{"id": "CHEMBL.COMPOUND:CHEMBL19", "category": ["biolink:ChemicalEntity"], "name": "METHAZOLAMIDE", "xref": ["InChIKey:FLOSMHQXBMRNHR-QPJJXVBHSA-N", "SMILES:CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C"], "synonym": ["Methazolamide", "Methazolamide", "Methazolamide", "Methazolamide", "Metazolamida", "Methazolamide", "Methazolamide", "Methenamide", "Neptazaneat", "L-584601", "NSC-758426", "VVP-808", "VVP808", "Methazolamide", "Neptazane"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Carbonic anhydrase 7", "xref": ["CHEMBL.TARGET:CHEMBL2326"], "id": "UniProtKB:P43166", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201117", "category": ["biolink:ChemicalEntity"], "name": "METHOCARBAMOL", "xref": ["InChIKey:GNXFOGHNGIVQEH-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCC(O)COC(N)=O"], "synonym": ["Methocarbamol", "Methocarbamol", "Methocarbamol", "Methocarbamol", "Metocarbamol", "Methocarbamol", "Methocarbamol", "NSC-170960", "Delaxin", "Forbaxin", "Methocarbamol", "Methocarbamol component of robaxisal", "Miolaxin", "Neuraxin", "Robaxin", "Robaxin-750"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Carbonic anhydrase 1", "xref": ["CHEMBL.TARGET:CHEMBL261"], "id": "UniProtKB:P00915", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200814", "category": ["biolink:ChemicalEntity"], "name": "ACETAZOLAMIDE SODIUM", "xref": ["InChIKey:MRSXAJAOWWFZJJ-UHFFFAOYSA-M", "SMILES:CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]"], "synonym": ["Acetazolamide sodium", "Acetazolamide sodium", "Acetazolamide sodium salt", "Sodium acetazolamide", "Vetamox", "Acetazolamide sodium", "Diamox"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL17", "category": ["biolink:ChemicalEntity"], "name": "DICHLORPHENAMIDE", "xref": ["InChIKey:GJQPMPFPNINLKP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1"], "synonym": ["Diclofenamide", "Diclofenamide", "Dichlorphenamide", "Diclofenamide", "Diclofenamida", "Dichlorphenamide", "Dichlorphenamide", "Diclofenamide", "Daranide", "Keveyis", "Oratrol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL20", "category": ["biolink:ChemicalEntity"], "name": "ACETAZOLAMIDE", "xref": ["InChIKey:BZKPWHYZMXOIDC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nnc(S(N)(=O)=O)s1"], "synonym": ["Acetazolamide", "Acetazolamide", "Acetazolamide", "Acetazolamide", "Acetazolamida", "Acetazolamide", "Acetamox", "Acetazolamide", "Acetazolamidum", "Atenezo", "Defiltran", "Didoc", "Diuriwas", "Donmox", "Edemox", "Glaupax", "Nephramide", "Phonurit", "L 579486", "NSC-145177", "Acetazolamide", "Diamox", "Diamox sr", "Eytazox"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1450", "category": ["biolink:ChemicalEntity"], "name": "ATOVAQUONE", "xref": ["InChIKey:KUCQYCKVKVOKAY-CTYIDZIISA-N", "SMILES:O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21"], "synonym": ["Atovaquone", "Atovaquone", "Atovaquone", "Atovaquone", "Atovaquone", "Atovacuona", "Atovaquone", "Atovaquone", "Atovaquone", "566C", "566C80", "NSC-759582", "Atovaquone", "Atovaquone component of malarone", "Atovaquone component of malarone pediatric", "Mepron", "Wellvone", "Atovaquone", "Atovaquone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Cytochrome b", "xref": ["CHEMBL.TARGET:CHEMBL1777"], "id": "UniProtKB:Q02768", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200771", "category": ["biolink:ChemicalEntity"], "name": "TRIDIHEXETHYL CHLORIDE", "xref": ["InChIKey:XJGONMZLEDGBRM-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1.[Cl-]"], "synonym": ["Tridihexethyl chloride", "Tridihexethyl iodide tridihexethyl chloride", "Pathilon"], "chembl_availability_type": "discontinued"}
{"name": "Muscarinic acetylcholine receptor M3", "xref": ["CHEMBL.TARGET:CHEMBL245"], "id": "UniProtKB:P20309", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1722209", "category": ["biolink:ChemicalEntity"], "name": "TOLTERODINE TARTRATE", "xref": ["InChIKey:TWHNMSJGYKMTRB-VEIFNGETSA-N", "SMILES:Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Tolterodine tartrate", "Tolterodine tartrate", "Tolterodine tartrate", "Tolterodine l-tartrate", "Tolterodine tartrate", "PNU-200583E", "Detrol", "Detrol la", "Tolterodine tartrate", "Tolterodine tartrate", "Tolterodine tartrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1240", "category": ["biolink:ChemicalEntity"], "name": "PROPANTHELINE BROMIDE", "xref": ["InChIKey:XLBIBBZXLMYSFF-UHFFFAOYSA-M", "SMILES:CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-]"], "synonym": ["Propantheline bromide", "Propantheline bromide", "Propantheline bromide", "Bromure de propantheline", "Bromuro de propantelina", "Propantheline bromide", "Propantheline bromide", "NSC-757294", "Pro-banthine", "Propantheline bromide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200906", "category": ["biolink:ChemicalEntity"], "name": "OXYPHENONIUM BROMIDE", "xref": ["InChIKey:UKLQXHUGTKWPSR-UHFFFAOYSA-M", "SMILES:CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-]"], "synonym": ["Oxyphenonium bromide", "Oxyphenonium bromide", "Oxyphenonium bromide", "Bromure d'oxyphenonium", "Bromuro de oxifenonio", "Antrenil", "Oxifenon", "Oxyfenon", "Oxyphenon", "Spasmodin", "Spasmophen", "BA-5473", "C-5473", "NSC-759248", "Antrenyl"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1724", "category": ["biolink:ChemicalEntity"], "name": "MEPENZOLATE BROMIDE", "xref": ["InChIKey:JRRNZNSGDSFFIR-UHFFFAOYSA-M", "SMILES:C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]"], "synonym": ["Mepenzolate bromide", "Mepenzolate bromide", "Mepenzolate bromide", "Bromure de mepenzolate", "Bromuro de mepenzolato", "AN-6437", "FT-0671006", "HY-17585", "NSC-4358", "Cantil"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1626570", "category": ["biolink:ChemicalEntity"], "name": "HEXOCYCLIUM METHYLSULFATE", "xref": ["InChIKey:NSILVESQCSUIAJ-UHFFFAOYSA-M", "SMILES:COS(=O)(=O)[O-].C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1"], "synonym": ["Hexocyclium methylsulfate", "Hexocyclium metilsulfate", "Metilsulfate d'hexocyclium", "Metilsulfato de hexociclo", "Hexocyclium methyl sulfate", "Hexocyclium methylsulphate", "Hexocyclium metilsulphate", "NSC-30256", "Tral"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200880", "category": ["biolink:ChemicalEntity"], "name": "DIPHEMANIL METHYLSULFATE", "xref": ["InChIKey:BREMLQBSKCSNNH-UHFFFAOYSA-M", "SMILES:COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1"], "synonym": ["Diphemanil methylsulfate", "Diphemanil metilsulfate", "Metilsulfate de diphemanil", "Metilsulfato de difemanilo", "Diphemanil methylsulphate", "NSC-41725", "Prantal"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200479", "category": ["biolink:ChemicalEntity"], "name": "DICYCLOMINE HYDROCHLORIDE", "xref": ["InChIKey:GUBNMFJOJGDCEL-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl"], "synonym": ["Dicycloverine hydrochloride", "Dicyclomine hydrochloride", "Bentylol", "Dicyclomine hcl", "Kolantyl hydrochloride", "Wyovin", "NSC-404381", "Bentyl", "Bentyl preservative free", "Dicyclomine hydrochloride", "Dicyclomine hydrochloride (preservative free)", "Dicyclomine hydrochloride (preservative-free)", "Merbentyl", "Merbentyl 20"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1768", "category": ["biolink:ChemicalEntity"], "name": "BETHANECHOL CHLORIDE", "xref": ["InChIKey:XXRMYXBSBOVVBH-UHFFFAOYSA-N", "SMILES:CC(C[N+](C)(C)C)OC(N)=O.[Cl-]"], "synonym": ["Bethanechol chloride", "Bethanechol chloride", "Bethanechol chloride", "Bethanechol chloride", "NSC-30783", "Bethanechol chloride", "Duvoid", "Myocholine", "Myotonachol", "Myotonine", "Urecholine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1578", "category": ["biolink:ChemicalEntity"], "name": "ANISOTROPINE METHYLBROMIDE", "xref": ["InChIKey:QSFKGMJOKUZAJM-CNKDKAJDSA-M", "SMILES:CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C.[Br-]"], "synonym": ["Octatropine methylbromide", "Anisotropine methylbromide", "Octatropine methylbromide", "Methylbromure d'octatropine", "Metilbromuro de octatropina", "Anisotropine methylbromide", "Methyloctatropine bromide", "Methyloctatropine bromide", "Octatropone bromide", "Octotropine methylbromide", "Anisotropine methylbromide", "Valpin", "Valpin 50", "Anisotropine methylbromide"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2146146", "category": ["biolink:ChemicalEntity"], "name": "ATROPINE SULFATE", "xref": ["InChIKey:VJFQPODMEGSXHC-RIMUKSHESA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O"], "synonym": ["Atropine sulfate", "Atropine sulfate", "Atropine sulfate hydrate", "Atropine sulfate anhydrous", "Atropine sulfate monohydrate", "Atropine sulfate", "Atropine sulfate hydrate", "Atropine sulfate monohydrate", "Atropini sulfas", "Atropinum sulphuricum", "Atropt", "NSC-26671", "NSC-755889", "SYD-101", "Atropine sulfate", "Atropine sulfate ansyr plastic syringe", "Atropine sulfate component of colonaid", "Atropine sulfate component of di-atro", "Atropine sulfate component of enlon-plus", "Atropine sulfate component of lo-trol", "Atropine sulfate component of logen", "Atropine sulfate component of lomanate", "Atropine sulfate component of lomotil", "Atropine sulfate component of lonox", "Atropine sulfate component of low-quel", "Atropine sulfate component of motofen", "Atropine sulfate lifeshield abboject syringe", "Atropisol", "Isopto atropine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL517712", "category": ["biolink:ChemicalEntity"], "name": "ATROPINE", "xref": ["InChIKey:RKUNBYITZUJHSG-SPUOUPEWSA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2"], "synonym": ["Atropine", "Atropine", "Atropine", "Atropine", "Atropinum", "Dl-hyoscyamine", "Atroject", "Atropen", "Atrophate", "Atropine", "Atropine (autoinjector)", "Atropine component of atnaa", "Atropine component of duodote"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200604", "category": ["biolink:ChemicalEntity"], "name": "TROPICAMIDE", "xref": ["InChIKey:BGDKAVGWHJFAGW-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1"], "synonym": ["Tropicamide", "Tropicamide", "Tropicamide", "Tropicamide", "Tropicamide", "Tropicamida", "Tropicamide", "Tropicamide", "Bistropamide", "Tropicamide", "Tropicamidum", "Visumidriatic", "NSC-757372", "RO-1-7683", "Mydriacyl", "Mydriafair", "Nods", "Tropicacyl", "Tropicamide", "Tropicamide component of mydcombi", "Tropicamide component of paremyd", "Tropicamide", "Tropicamide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200803", "category": ["biolink:ChemicalEntity"], "name": "SOLIFENACIN SUCCINATE", "xref": ["InChIKey:RXZMMZZRUPYENV-VROPFNGYSA-N", "SMILES:O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1"], "synonym": ["Solifenacin succinate", "Solifenacin succinate", "Solifenacin succinate", "Solifenacin succinate", "Solifenacin succinate", "YM-67905", "YM-905", "YM67905", "YM905", "Solifenacin succinate", "Vesicare", "Vesicare ls", "Solifenacin succinate", "Solifenacin succinate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200935", "category": ["biolink:ChemicalEntity"], "name": "DARIFENACIN HYDROBROMIDE", "xref": ["InChIKey:UQAVIASOPREUIT-VQIWEWKSSA-N", "SMILES:Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1"], "synonym": ["Darifenacin hydrobromide", "Darifenacin hydrobromide", "Darifenacin hydrobromide", "Darifenacin hydrobromide", "Darifenacin hydrobromide", "Darifenacin hbr", "Darifenacin hydrobromide", "Uk-88525-04 (hbr)", "UK-88525-04 (HYDROBROMIDE)", "Darifenacin hydrobromide", "Emselex", "Enablex", "Darifenacin hydrobromide", "Darifenacin hydrobromide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL551466", "category": ["biolink:ChemicalEntity"], "name": "ACLIDINIUM BROMIDE", "xref": ["InChIKey:XLAKJQPTOJHYDR-QTQXQZBYSA-M", "SMILES:O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-]"], "synonym": ["Aclidinium bromide", "Aclidinium bromide", "Aclidinium bromide", "Aclidinium bromide", "Aclidinium bromide", "Bromure d'aclidinium", "Bromuro de aclidinio", "Aclidinium bromide", "Aclidinium bromide", "Aclidinium bromide", "Genuair", "14115700", "LAS 34273", "LAS 34273 MICRONIZED", "LAS W-330", "LAS-34273", "LAS-34273 MICRONIZED", "LAS-W-330", "LAS34273", "Aclidinium bromide component of duaklir pressair", "Bretaris genuair", "Eklira", "Eklira genuair", "Tudorza pressair", "Aclidinium bromide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200764", "category": ["biolink:ChemicalEntity"], "name": "METHACHOLINE CHLORIDE", "xref": ["InChIKey:JHPHVAVFUYTVCL-UHFFFAOYSA-M", "SMILES:CC(=O)OC(C)C[N+](C)(C)C.[Cl-]"], "synonym": ["Methacholine chloride", "Methacholine chloride", "Chlorure de methacholine", "Cloruro de metacolina", "Methacholine chloride", "Methacholine chloride", "Methacholine chloride", "NSC-757090", "Provocholine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545181", "category": ["biolink:ChemicalEntity"], "name": "TIOTROPIUM BROMIDE", "xref": ["InChIKey:MQLXPRBEAHBZTK-SEINRUQRSA-M", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12.O.[Br-]"], "synonym": ["Tiotropium bromide", "Tiotropium bromide", "Tiotropium bromide", "Tiotropium bromide monohydrate", "Tiotropium bromide", "Bromure de tiotropium", "Bromuro de tiotropio", "Tiotropium bromide hydrate", "Tiotropium bromide", "Tiotropium bromide monohydrate", "Tiotropium bromide", "Tiotropium bromide anhydrous", "Tiotropium bromide hydrate", "Tiotropium bromide monohydrate", "BA 679 BR", "BA-679 BR", "BA-679-BR", "BA-679BR", "Braltus", "Spiriva", "Spiriva respimat", "Tiotropium bromide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201765", "category": ["biolink:ChemicalEntity"], "name": "FESOTERODINE FUMARATE", "xref": ["InChIKey:MWHXMIASLKXGBU-RNCYCKTQSA-N", "SMILES:CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)/C=C/C(=O)O"], "synonym": ["Fesoterodine fumarate", "Fesoterodine fumarate", "Fesoterodine fumarate", "Fesoterodine fumarate", "Fesoterodine fumarate", "Fesoterodine fumarate", "SPM 8272", "SPM 907", "SPM-8272", "SPM-907", "Fesoterodine fumarate", "Toviaz", "Fesoterodine fumarate"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200473", "category": ["biolink:ChemicalEntity"], "name": "CYCLOPENTOLATE HYDROCHLORIDE", "xref": ["InChIKey:RHKZVMUBMXGOLL-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl"], "synonym": ["Cyclopentolate hydrochloride", "Cyclopentolate hydrochloride", "Cyclopentolate hcl", "Cylate", "Cyplegin", "NSC-756706", "Ak-pentolate", "Akpentolate", "Alnide", "Cyclogyl", "Cyclopentolate hydrochloride", "Cyclopentolate hydrochloride component of cyclomydril", "Mydrilate", "Pentolair"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1184", "category": ["biolink:ChemicalEntity"], "name": "ACETYLCHOLINE CHLORIDE", "xref": ["InChIKey:JUGOREOARAHOCO-UHFFFAOYSA-M", "SMILES:CC(=O)OCC[N+](C)(C)C.[Cl-]"], "synonym": ["Acetylcholine chloride", "Acetylcholine chloride", "Acetylcholine chloride", "Chlorure d'acetylcholine", "Cloruro de acetilcolina", "Acetylcholine chloride for injection", "Acetylcholine chloride", "Acetylcholine chloride", "Choline acetate (ester) chloride", "NSC-755845", "Miochol", "Miochol-e", "Miphtel"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL14", "category": ["biolink:ChemicalEntity"], "name": "CARBACHOL", "xref": ["InChIKey:AIXAANGOTKPUOY-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CCOC(N)=O.[Cl-]"], "synonym": ["Carbachol", "Carbachol", "Carbachol", "Carbachol", "Carbacol", "Carbachol", "Carbachol", "Carbachol chloride", "NSC-32865", "Carbachol", "Carbastat", "Doryl", "Miostat"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL550", "category": ["biolink:ChemicalEntity"], "name": "PILOCARPINE", "xref": ["InChIKey:QCHFTSOMWOSFHM-WPRPVWTQSA-N", "SMILES:CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C"], "synonym": ["Pilocarpine", "Pilocarpine", "Pilocarpine", "Ocucarpine", "Pilocarpine", "Pilocarpinum", "Pilocarpol", "Pilokarpin", "Spersacarpine", "Syncarpine", "Ocusert pilo", "Ocusert pilo-20", "Ocusert pilo-40"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200330", "category": ["biolink:ChemicalEntity"], "name": "PILOCARPINE HYDROCHLORIDE", "xref": ["InChIKey:RNAICSBVACLLGM-GNAZCLTHSA-N", "SMILES:CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.Cl"], "synonym": ["Pilocarpine hydrochloride", "Pilocarpine hydrochloride", "Pilocarpine hcl", "Pilocarpine hydrochloride", "Pilocarpine monohydrochloride", "Pilocarpini hydrochloridum", "Pilocarpinum muriaticum", "Qlosi", "Salagen", "Vistacarpin n", "Vuity", "Isopto carpine", "Ocusert", "Piloc hcl", "Pilocarpine hydrochloride", "Pilocarpine hydrochloride component of betoptic pilo", "Pilogel", "Pilopine", "Pilopine hs", "Qlosi", "Salagen", "Sno pilo", "Vuity"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2218917", "category": ["biolink:ChemicalEntity"], "name": "CEVIMELINE HYDROCHLORIDE", "xref": ["InChIKey:JKJRNPOQQPBPOV-UHFFFAOYSA-N", "SMILES:CC1OC2(CS1)CN1CCC2CC1.Cl.O"], "synonym": ["Cevimeline hydrochloride", "Cevimeline hydrochloride hydrate", "Cevimeline hydrochloride hemihydrate", "Cevimeline hcl", "Cevimeline hydrochloride", "Saligren", "AF-102B", "AF102B", "FKS-508", "SND-5008", "SNI-2011", "SNK-508", "Cevimeline hydrochloride", "Evoxac", "Cevimeline hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200950", "category": ["biolink:ChemicalEntity"], "name": "CLIDINIUM BROMIDE", "xref": ["InChIKey:GKEGFOKQMZHVOW-UHFFFAOYSA-M", "SMILES:C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-]"], "synonym": ["Clidinium bromide", "Clidinium bromide", "Clidinium bromide", "Bromure de clidinium", "Bromuro de clidinio", "NSC-756686", "RO 2-3773", "RO-2-3773", "RO-23773", "Clidinium bromide component of librax", "Quarzan", "Clidinium bromide", "Clidinium bromide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2134724", "category": ["biolink:ChemicalEntity"], "name": "IPRATROPIUM BROMIDE", "xref": ["InChIKey:KEWHKYJURDBRMN-XSAPEOHZSA-M", "SMILES:CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O.[Br-]"], "synonym": ["Ipratropium bromide", "Ipratropium bromide", "Ipratropium bromide", "Ipratropium bromide", "Ipratropium bromide", "Bromure d'ipratropium", "Bromuro de ipratropio", "Ipratropium bromide", "Ipratropium bromide hydrate", "Ipratropium bromide", "Ipratropium bromide", "Ipratropium bromide anhydrous", "Ipratropium bromide hydrate", "Ipratropium bromide monohydrate", "NSC-759613", "SCH 1000-BR-MONOHYDRATE", "SCH-1000-BR-", "Atrovent", "Atrovent aerocaps", "Atrovent fte", "Atrovent hfa", "Atrovent udvs", "Ipratrop", "Ipratrop steripoule", "Ipratropium bromide", "Ipratropium bromide component of combivent", "Ipratropium bromide component of duoneb", "Ipratropium bromide component of duovent", "Respontin", "Rinatec", "Tropiovent", "Ipratropium bromide", "Ipratropium bromide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1354199", "category": ["biolink:ChemicalEntity"], "name": "METHSCOPOLAMINE BROMIDE", "xref": ["InChIKey:CXYRUNPLKGGUJF-RAFJPFSSSA-M", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[Br-]"], "synonym": ["Methscopolamine bromide", "Methscopolamine bromide", "Scopolamine methyl bromide", "(-)-scopolamine methyl bromide", "Holopon", "Hyoscine methobromide", "Methscopolamine bromide", "N-methylscopolamine bromide", "NSC-120606", "Methscopolamine bromide", "Pamine", "Pamine forte"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1231", "category": ["biolink:ChemicalEntity"], "name": "OXYBUTYNIN", "xref": ["InChIKey:XIQVNETUBQGFHX-UHFFFAOYSA-N", "SMILES:CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1"], "synonym": ["Oxybutynin", "Oxybutynin", "Oxybutynin", "Oxybutynin", "Oxybutynin", "Oxybutynin", "Oxybutynine", "Oxibutinina", "Oxybutynin", "Oxybutynin", "Contimin 2.5", "Contimin 5", "Cystrin", "Kentera", "Kentera (previously oxybutynin nicobrand)", "Lyrinel xl", "Oxybutynin", "Oxytrol", "Oxytrol for women", "Promictuline", "Urimin", "Oxybutynin"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1133", "category": ["biolink:ChemicalEntity"], "name": "OXYBUTYNIN CHLORIDE", "xref": ["InChIKey:SWIJYDAEGSIQPZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl"], "synonym": ["Oxybutynin hydrochloride", "Oxybutynin chloride", "Oxybutynin hydrochloride", "Oxybutynin hydrochloride", "Oxybutynin chloride", "Oxybutynin hydrochloride", "Pollakisu", "Tropax", "5058", "MJ 4309-1", "MJ-4309-1", "NSC-759108", "Ditropan", "Ditropan xl", "Gelnique", "Oxybutynin chloride", "Oxybutynin chloride", "Oxybutynin chloride", "Oxybutynin hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200891", "category": ["biolink:ChemicalEntity"], "name": "OXYPHENCYCLIMINE HYDROCHLORIDE", "xref": ["InChIKey:WXAYTPABEADAAB-UHFFFAOYSA-N", "SMILES:CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl"], "synonym": ["Oxyphencyclimine hydrochloride", "Oxyphencyclimine hcl", "NSC-528449", "Daricon"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201027", "category": ["biolink:ChemicalEntity"], "name": "GLYCOPYRRONIUM BROMIDE", "xref": ["InChIKey:VPNYRYCIDCJBOM-UHFFFAOYSA-M", "SMILES:C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-]"], "synonym": ["Glycopyrronium bromide", "Glycopyrronium bromide", "Glycopyrronium bromide", "Glycopyrronium bromide", "Glycopyrrolate", "Glycopyrronium bromide", "Bromure de glycopyrronium", "Bromuro de glicopirronio", "Glycopyrronium bromide", "Glycopyrrolate", "Glycopyrrolate", "Glycopyrrolate, erythro-", "Glycopyrrone bromide", "Glycopyrronium (as bromide)", "Glycopyrronium bromide", "Nodapton", "Robanul", "Tarodyl", "Tarodyn", "AD-237", "AHR-504", "CHF-5259", "CHF5259", "NSC-250836", "NSC-251251", "NSC-251252", "NVA-237", "NVA237", "ORG-NC-45", "PT-001", "PT001", "Cuvposa", "Dartisla odt", "Enurev breezhaler", "Glycopyrrolate", "Glycopyrrolate component of prevduo", "Glycopyrrolate component of utibron", "Glycopyrronium bromide component of bevespi aerosphere  glycopyrrolate", "Glycopyrronium bromide component of breztri  glycopyrrolate", "Glycopyrronium bromide component of prevduo  glycopyrrolate", "Glycopyrronium bromide component of qva-149", "Glycopyrronium bromide component of qva149", "Glycopyrronium bromide component of trimbow", "Glycopyrronium bromide component of ultibro", "Glyrx-pf", "Lonhala magnair kit", "Robinul", "Robinul forte", "Robinul fte", "Seebri", "Seebri breezhaler", "Sialanar", "Tovanor breezhaler", "Glycopyrrolate", "Glycopyrrolate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200347", "category": ["biolink:ChemicalEntity"], "name": "ISOPROPAMIDE IODIDE", "xref": ["InChIKey:BFSMWENDZZIWPW-UHFFFAOYSA-N", "SMILES:CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-]"], "synonym": ["Isopropamide iodide", "Isopropamide iodide", "Iodure d'isopropamide", "Ioduro de isopropamida", "Dipramid", "Dipramide", "Isamid", "Isopropamide (as iodide)", "Marygin-m", "Piaccamide", "Priamide", "Priazimide", "Sanulcin", "Tyrimide", "NSC-15521", "R-79", "SKF-4740", "Darbid", "Isopropamide iodide component of vesalium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3084748", "category": ["biolink:ChemicalEntity"], "name": "TROSPIUM CHLORIDE", "xref": ["InChIKey:RVCSYOQWLPPAOA-QKYUOBHYSA-M", "SMILES:O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]"], "synonym": ["Trospium chloride", "Trospium chloride", "Trospium chloride", "Trospium chloride", "Chlorure de trospium", "Cloruro de trospio", "Trospium chloride", "Trospium chloride", "Relaspium", "Spasmex", "Spasmolyt", "Trospium chloride", "IP-631", "IP631", "Flotros", "Regurin", "Regurin xl", "Sanctura", "Sanctura xr", "Spasmo-lyt", "Spasmoplex", "Trospium chloride", "Trospium chloride component of cobenfy", "Uraplex", "Trospium chloride", "Trospium chloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989514", "category": ["biolink:ChemicalEntity"], "name": "IRINOTECAN HYDROCHLORIDE", "xref": ["InChIKey:KLEAIHJJLUAXIQ-JDRGBKBRSA-N", "SMILES:CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl.O.O.O"], "synonym": ["Irinotecan hydrochloride", "Irinotecan anhydrous free-base", "Irinotecan hydrochloride", "Irinotecan hydrochloride", "Irinotecan hydrochloride", "Irinotecan hydrochloride hydrate", "Irinotecan hydrochloride anhydrous", "Irinotecan hydrochloride trihydrate", "Irinotecan hydrochloride", "Irinotecan hydrochloride hydrate", "Irinotecan monohydrochloride trihydrate", "CPT-11", "DQ-2805", "NSC-759878", "U-101,440E", "U-101440E", "Campto", "Camptosar", "Irinotecan hydrochloride", "Irinotecan hydrochloride component of xeliri", "Onivyde", "Onivyde pegylated liposomal (previously known as onivyde)", "Irinotecan hydrochloride", "Irinotecan hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "DNA topoisomerase 1", "xref": ["CHEMBL.TARGET:CHEMBL1781"], "id": "UniProtKB:P11387", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201421", "category": ["biolink:ChemicalEntity"], "name": "PEGAPTANIB SODIUM", "synonym": ["Pegaptanib sodium", "Pegaptanib sodium", "Pegaptanib sodium", "Pegaptanib sodium", "Pegaptanib sodium", "Pegaptanib na", "Pegaptanib sodium", "EYE-001", "EYE001", "EYEOO1", "NX-1838", "NX1838", "Macugen", "Pegaptanib sodium"], "chembl_availability_type": "discontinued"}
{"name": "Vascular endothelial growth factor A, long form", "xref": ["CHEMBL.TARGET:CHEMBL1783"], "id": "UniProtKB:P15692", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201825", "category": ["biolink:ChemicalEntity"], "name": "RANIBIZUMAB", "synonym": ["Ranibizumab", "Ranibizumab", "Ranibizumab", "Ranibizumab", "Ranibizumab", "Ranibizumab", "Ranibizumab", "Ranibizumab", "Byooviz", "Cimerli", "Pf-582 (ranibizumab biosimilar)", "Pf582", "Ranibizumab", "Ranibizumab biosimilar pf582", "Ranibizumab eqrn", "Ranibizumab nuna", "Ranibizumab-eqrn", "Ranibizumab-nuna", "Susvimo", "BCD-300", "FAB-12 VARIANT Y0317", "FYB-201", "FYB201", "PF-582", "QL-1205", "QL1205", "RG-3645", "RHUFAB", "SB-11", "SB11 (RANIBIZUMAB BIOSIMILAR)", "Byooviz", "Lucentis", "Ranivisio", "Rimmyrah", "Ximluci", "Ranibizumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1742982", "category": ["biolink:ChemicalEntity"], "name": "AFLIBERCEPT", "synonym": ["Aflibercept", "Aflibercept", "Aflibercept", "Ziv-aflibercept", "Aflibercept", "Aflibercept", "Aflibercept (genetical recombination)", "Aflibercept", "Aflibercept", "Aflibercept beta", "Aflibercept biosimilar (amgen)", "Aflibercept biosimilar (lubt-017)", "Aflibercept recombinant", "Aflibercept-abzv", "Aflibercept-ayyh", "Aflibercept-jbvf", "Aflibercept-mrbb", "Aflibercept-yszy", "Ahzantive", "Enzeevu", "Eylea hd", "Opuviz", "Pavblu", "Sok583a1", "Vegf trap-eye", "Yesafili", "ABP-938", "AVE-0005", "AVE0005", "BAY-86-5321", "BAY-865321", "BAY86-5321", "FYB-203", "FYB203", "LUBT-017", "LUBT017", "SOK-583A1", "VEGF TRAP", "Eylea", "Yesafili", "Zaltrap", "Aflibercept"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201583", "category": ["biolink:ChemicalEntity"], "name": "BEVACIZUMAB", "synonym": ["Bevacizumab", "Bevacizumab", "Bevacizumab", "Bevacizumab", "Bevacizumab", "Bevacizumab beta", "Bevacizumab", "Bevacizumab", "Abp-215", "Alymsys", "Avzivi", "Bat 1706", "Bat1706", "Bevacizumab", "Bevacizumab (avastin)", "Bevacizumab adcd", "Bevacizumab awwb", "Bevacizumab beta", "Bevacizumab biosimilar (abp-215)", "Bevacizumab biosimilar (amgen)", "Bevacizumab biosimilar (ct-p16)", "Bevacizumab biosimilar (fkb-238)", "Bevacizumab biosimilar (gp-2019)", "Bevacizumab biosimilar (pfizer)", "Bevacizumab bvzr", "Bevacizumab maly", "Bevacizumab-adcd", "Bevacizumab-awwb", "Bevacizumab-bvzr", "Bevacizumab-maly", "Bevacizumab-tnjn", "Bevax", "Bi-695502", "Bs-503", "Byvasda", "Ct p16", "Ct-16", "Ct-p16", "Fkb 238", "Fkb238", "Hlx 04", "Ibi-305", "Ibi305", "Mvasi", "Oyavas", "Pf-06439535", "Vegzelma", "Zirabev", "12-IGG1", "AVA-1", "BAT-1706", "BEVZ-92", "BEVZ92", "BI 695502", "BI695502", "BS-503A", "CHS-5217", "CT-16", "CT-P16", "CT-P16 (BIOSIMILAR OF BEVACIZUMAB)", "CT16", "CTP-16", "CTP16", "FKB-238", "GP-2019", "GP2019", "HLX-04", "HLX04", "HLX04-O", "LY 01008", "LY-01008", "MB-02", "MB02", "PF-06439535", "Q-1101", "Q1101", "R-435", "RG-435", "RHUMAB-", "RHUMAB-VEGF", "RO-4876646", "Abevmy", "Alymsys", "Avastin", "Avzivi", "Aybintio", "Equidacent", "Lextemy", "Mvasi", "Onbevzi", "Oyavas", "Vegzelma", "Zirabev", "Bevacizumab", "Usp mab 002, monoclonal igg1"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4084119", "category": ["biolink:ChemicalEntity"], "name": "LIRAGLUTIDE", "xref": ["InChIKey:YSDQQAXHVYUZIW-QCIJIYAXSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O"], "synonym": ["Liraglutide", "Liraglutide", "Liraglutide", "Liraglutide", "Liraglutide recombinant", "Liraglutide", "Liraglutida", "Liraglutide", "Liraglutide", "Liraglutide", "Liraglutide (rdna origin)", "NN-2211", "NN-9924", "NN2211", "NN9924", "NNC 90-1170", "NNC-90-1170", "Liraglutide component of xultophy 100/3.6", "Saxenda", "Victoza", "Liraglutide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Glucagon-like peptide 1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL1784"], "id": "UniProtKB:P43220", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414357", "category": ["biolink:ChemicalEntity"], "name": "EXENATIDE", "xref": ["InChIKey:HTQBXNHDCUEHJF-XWLPCZSASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"], "synonym": ["Exenatide", "Exenatide", "Exenatide", "Exenatide", "Exenatide synthetic", "Exenatide", "Exenatida", "Exenatide", "Exenatide", "Exendin 4", "AC 2993", "AC-002993", "AC-2993", "AC-2993A", "AC-2993LAR", "AC002993", "AC2993", "AC2993A", "DA-3091", "EXENDIN-4", "ITCA-650", "LY-2148568", "LY2148568", "Bydureon", "Bydureon bcise", "Bydureon pen", "Byetta", "Exenatide", "Exenatide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200826", "category": ["biolink:ChemicalEntity"], "name": "LITHIUM CARBONATE", "xref": ["InChIKey:XGZVUEUWXADBQD-UHFFFAOYSA-L", "SMILES:O=C([O-])[O-].[Li+].[Li+]"], "synonym": ["Lithium carbonate", "Lithium carbonate", "Lithium carbonate", "Lithium carbonate", "Carbonic acid, dilithium salt", "Lithii carbonas", "Lithium carbonate", "Lithium carbonicum", "CP-15,467-61", "CP-15467-61", "CP-1546761", "NSC-16895", "Camcolit 250", "Camcolit 400", "Eskalith", "Eskalith cr", "Liskonum", "Lithane", "Lithium carbonate", "Lithobid", "Lithonate", "Lithotabs", "Phasal", "Lithium carbonate", "Lithium carbonate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Inositol monophosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL1786"], "id": "UniProtKB:P29218", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103738", "category": ["biolink:ChemicalEntity"], "name": "LITHIUM CITRATE", "xref": ["InChIKey:HXGWMCJZLNWEBC-UHFFFAOYSA-K", "SMILES:O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+]"], "synonym": ["Lithium citrate", "Lithium citrate", "Lithium citrate tetrahydrate", "Lithium (as citrate)", "Lithium citrate", "Lithonate s", "NSC-758700", "Li-liquid", "Litarex", "Lithium citrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201528", "category": ["biolink:ChemicalEntity"], "name": "VASOPRESSIN TANNATE", "synonym": ["Vasopressin tannate", "Vasopressin tannate", "Vasopressin tannate", "Pitressin tannate"], "chembl_availability_type": "discontinued"}
{"name": "Vasopressin V2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL1790"], "id": "UniProtKB:P30518", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL344159", "category": ["biolink:ChemicalEntity"], "name": "TOLVAPTAN", "xref": ["InChIKey:GYHCTFXIZSNGJT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1"], "synonym": ["Tolvaptan", "Tolvaptan", "Tolvaptan", "Tolvaptan", "Tolvaptan", "Tolvaptan", "Tolvaptan", "Tolvaptan", "OPC-41061", "OPC-41061(TOLVAPTAN)", "Jinarc", "Jynarque", "Samsca", "Tolvaptan accord", "Tolvaptan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201108", "category": ["biolink:ChemicalEntity"], "name": "CONIVAPTAN HYDROCHLORIDE", "xref": ["InChIKey:BTYHAFSDANBVMJ-UHFFFAOYSA-N", "SMILES:Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2.Cl"], "synonym": ["Conivaptan hydrochloride", "Conivaptan hydrochloride", "Conivaptan hydrochloride", "Conivaptan hcl", "Conivaptan hydrochloride", "CI-1025", "YM-087", "YM087", "Vaprisol", "Conivaptan hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314380", "category": ["biolink:ChemicalEntity"], "name": "PASIREOTIDE DIASPARTATE", "xref": ["InChIKey:NEEFMPSSNFRRNC-HQUONIRXSA-N", "SMILES:NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O"], "synonym": ["Pasireotide diaspartate", "Pasireotide diaspartate", "Pasireotide (as diaspartate)", "Pasireotide diaspartate", "Signifor"], "chembl_availability_type": "prescription only"}
{"name": "Somatostatin receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL1792"], "id": "UniProtKB:P35346", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201184", "category": ["biolink:ChemicalEntity"], "name": "LANREOTIDE ACETATE", "xref": ["InChIKey:DEXPIBGCLCPUHE-UISHROKMSA-N", "SMILES:CC(=O)O.CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O"], "synonym": ["Lanreotide acetate", "Lanreotide acetate", "Lanreotide acetate", "Lanreotide acetate", "Somatuline", "Somatuline lp", "BIM-23014C", "Somatuline depot", "Lanreotide acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL525610", "category": ["biolink:ChemicalEntity"], "name": "TERIPARATIDE", "xref": ["InChIKey:OGBMKVWORPGQRR-UMXFMPSGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C"], "synonym": ["Teriparatide", "Teriparatide", "Teriparatide", "Teriparatide", "Teriparatide recombinant human", "Teriparatide", "Teriparatida", "Teriparatide", "(1-34)-human parathyroid hormone", "1-34-human pth", "Human parathyroid hormone 1-34", "Pth (1-34)", "Teriparatide", "Teriparatide rdna", "LY 333334", "LY-333334", "LY333334", "ZT-034", "Bonsity", "Forsteo", "Forteo", "Kauliv", "Livogiva", "Movymia", "Qutavina", "Sondelbay", "Teriparatide sun", "Terrosa", "Teriparatide", "Teriparatide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Parathyroid hormone/parathyroid hormone-related peptide receptor", "xref": ["CHEMBL.TARGET:CHEMBL1793"], "id": "UniProtKB:Q03431", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201549", "category": ["biolink:ChemicalEntity"], "name": "TERIPARATIDE ACETATE", "synonym": ["Teriparatide acetate", "Teriparatide acetate", "Teriparatide acetate", "Ak-159", "Ak159", "Teriparatide acetate", "Teriparatide acetate hydrate", "HPTH 1-34", "HPTH 1-34 (ACETATE SALT)", "HPTH-1-34", "Parathar", "Teriparatide acetate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL175247", "category": ["biolink:ChemicalEntity"], "name": "ORLISTAT", "xref": ["InChIKey:AHLBNYSZXLDEJQ-FWEHEUNISA-N", "SMILES:CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O"], "synonym": ["Orlistat", "Orlistat", "Orlistat", "Orlistat", "Orlistat", "Orlistat", "Orlistat", "Orlistat", "Lipstatin", "Orlipastat", "Orlistat", "Tetrahydrolipstatin", "NSC-758881", "RO 18-0647/002", "RO-18-0647/002", "RO-180647-002", "RO-180647002", "Ro-18-0647-002", "Alli", "Alli (previously orlistat gsk)", "Beacita", "Xenical", "Orlistat", "Orlistat"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"name": "Gastric triacylglycerol lipase", "xref": ["CHEMBL.TARGET:CHEMBL1796"], "id": "UniProtKB:P07098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603", "category": ["biolink:ChemicalEntity"], "name": "ZAFIRLUKAST", "xref": ["InChIKey:YEEZWCHGZNKEEK-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12"], "synonym": ["Zafirlukast", "Zafirlukast", "Zafirlukast", "Zafirlukast", "Zafirlukast", "Zafirlukast", "Zafirlukast", "Ici-204,219", "Zafirlukast", "ICI 204,219", "ICI-204219", "Accolate", "Zafirlukast", "Zafirlukast"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Cysteinyl leukotriene receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1798"], "id": "UniProtKB:Q9Y271", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200681", "category": ["biolink:ChemicalEntity"], "name": "MONTELUKAST SODIUM", "xref": ["InChIKey:LBFBRXGCXUHRJY-HKHDRNBDSA-M", "SMILES:CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+]"], "synonym": ["Montelukast sodium", "Montelukast sodium", "Montelukast monosodium salt", "Montelukast (as sodium)", "Montelukast sodium", "MK-476", "NSC-759107", "Montelukast sodium", "Singulair", "Montelukast sodium", "Montelukast sodium"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201662", "category": ["biolink:ChemicalEntity"], "name": "DESIRUDIN", "synonym": ["Desirudin", "Desirudin", "Desirudin", "Desirudin recombinant", "Desirudin", "Desirudine", "Desirudina", "Hirudin desirudin", "63-desulfohirudin", "63-desulfohirudin (recombinant)", "Desirudin", "Revasc", "CGP 39393", "CGP-39393", "Iprivask", "Revasc", "Desirudin"], "chembl_availability_type": "discontinued"}
{"name": "Prothrombin", "xref": ["CHEMBL.TARGET:CHEMBL204"], "id": "UniProtKB:P00734", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314348", "category": ["biolink:ChemicalEntity"], "name": "BIVALIRUDIN", "synonym": ["Bivalirudin", "Bivalirudin", "Bivalirudin", "Bivalirudin", "Bivalirudin", "Bivalirudine", "Bivalirudina", "Bivalirudin", "Bivalirudin", "BG-8967", "BG8967", "Angiomax", "Angiomax rtu", "Angiox", "Bivalirudin", "Bivalirudin in 0.9% sodium chloride", "Bivalirudin", "Bivalirudin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201666", "category": ["biolink:ChemicalEntity"], "name": "LEPIRUDIN", "synonym": ["Lepirudin", "Lepirudin", "Lepirudin", "Lepirudin", "Lepirudin recombinant", "Lepirudin", "Lepirudine", "Lepirudina", "Hirudin lepirudin", "Lepirudin", "Refludan"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1615369", "category": ["biolink:ChemicalEntity"], "name": "DABIGATRAN ETEXILATE MESYLATE", "xref": ["InChIKey:XETBXHPXHHOLOE-UHFFFAOYSA-N", "SMILES:CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O"], "synonym": ["Dabigatran etexilate mesilate", "Dabigatran etexilate mesylate", "Dabigatran etexilate mesylate", "Dabigatran etexilate mesilate", "Dabigatran etexilate mesylate", "BIBR 1048 MS", "BIBR-1048-MS", "Dabigatran etexilate accord", "Dabigatran etexilate leon farma", "Pradaxa", "Pradaxa (dabigatran etexilate mesylate)", "Dabigatran etexilate mesylate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1166", "category": ["biolink:ChemicalEntity"], "name": "ARGATROBAN", "xref": ["InChIKey:KXNPVXPOPUZYGB-IOVMHBDKSA-N", "SMILES:CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1"], "synonym": ["Argatroban", "Argatroban", "Argatroban", "Argatroban", "Argatroban", "Argatroban hydrate", "Argatroban", "Argatroban monohydrate", "Argatroban", "Argatroban anhydrous", "Argatroban hydrate", "Argatroban monohydrate", "Argipidine", "DK-7419", "GN-1600", "GN1600", "MCI-9038", "MD-805", "Acova", "Argatroban", "Argatroban in dextrose", "Argatroban in sodium chloride", "Novastan", "Argatroban", "Argatroban"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108791", "category": ["biolink:ChemicalEntity"], "name": "TENECTEPLASE", "synonym": ["Tenecteplase", "Tenecteplase", "Tenecteplase", "Tenecteplase", "Tenecteplase", "Tenecteplase", "Tenecteplasa", "Tenecteplase", "Rhtnk-tpa", "Tenecteplase", "TNK-TPA", "Metalyse", "Tenecteplase boehringer ingelheim pharma gmbh  co. kg", "Tenecteplase"], "chembl_availability_type": "prescription only"}
{"name": "Tissue-type plasminogen activator", "xref": ["CHEMBL.TARGET:CHEMBL1873"], "id": "UniProtKB:P00750", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108147", "category": ["biolink:ChemicalEntity"], "name": "STREPTOKINASE", "synonym": ["Streptokinase", "Streptokinase", "Streptokinase", "Streptokinase", "Estreptoquinasa", "Streptokinase", "Streptokinase c", "Kabikinase", "Streptase"], "chembl_availability_type": "prescription only"}
{"name": "Plasminogen", "xref": ["CHEMBL.TARGET:CHEMBL1801"], "id": "UniProtKB:P00747", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107885", "category": ["biolink:ChemicalEntity"], "name": "RETEPLASE", "synonym": ["Reteplase", "Reteplase", "Reteplase", "Reteplase", "Reteplase", "Reteplase", "Reteplasa", "Reteplase", "Ecokinase", "Retavase", "Reteplase", "Reteplase, recombinant", "Reteplase,recombinant", "Retevase", "BM 06.022", "BM-06.022", "BM-06022", "Ecokinase", "Rapilysin", "Reteplase"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201420", "category": ["biolink:ChemicalEntity"], "name": "UROKINASE", "synonym": ["Urokinase", "Urokinase", "Urokinase", "Urokinase", "Uroquinasa", "Urokinase", "Kinase (enzyme-activating), uro-", "Urinary plasminogen activator", "Urokinase", "Abbokinase", "Kinlytic", "Ukidan", "Urokinase"], "chembl_availability_type": "discontinued"}
{"name": "Urokinase-type plasminogen activator", "xref": ["CHEMBL.TARGET:CHEMBL3286"], "id": "UniProtKB:P00749", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201619", "category": ["biolink:ChemicalEntity"], "name": "APROTININ", "synonym": ["Aprotinin", "Aprotinin", "Aprotinin", "Aprotinin", "Aprotinine", "Aprotinina", "Aprotinin", "Aprotinin", "Aprotinin (bovine)", "Aprotinin (synthetic)", "Aprotinin biosynthetic", "Aprotinin bovine", "Aprotinin concentrated solution", "Bovine aprotinin", "Fibrinolysis inhibitor", "BAYER A 128", "BAYER-A-128", "BAYERA-128", "RIKER 52G", "RIKER-52G", "RP 9921", "RP-9921", "Trasylol", "Aprotinin", "Aprotinin"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201593", "category": ["biolink:ChemicalEntity"], "name": "ALTEPLASE", "synonym": ["Alteplase", "Alteplase", "Alteplase", "Alteplase", "Alteplase", "Alteplasa", "Alteplase (genetical recombination)", "Tissue plasminogen activator alteplase", "Alteplase", "Alteplase for injection", "Alteplase, recombinant", "Alteplase,recombinant", "Ec 3.4.21.68", "RT-PA", "Actilyse", "Actilyse cathflo", "Activase", "Cathflo activase", "Alteplase", "Alteplase"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL877", "category": ["biolink:ChemicalEntity"], "name": "TRANEXAMIC ACID", "xref": ["InChIKey:GYDJEQRTZSCIOI-LJGSYFOKSA-N", "SMILES:NC[C@H]1CC[C@H](C(=O)O)CC1"], "synonym": ["Tranexamic acid", "Tranexamic acid", "Tranexamic acid", "Tranexamic acid", "Tranexamic acid", "Acide tranexamique", "Acido tranexamico", "Tranexamic acid", "Tranexamic acid", "Amcha", "Cyclo-f", "Cyclocapron", "Cyclokapron", "Espercil", "Femstrual", "Haematrix", "Rikavarin", "Tranexamic acid", "Transamin", "CL 65336", "CL-65336", "CL65336", "LB-1148", "LB1148", "NSC-291305", "RP-18429", "TRANS AMCHA", "TRANS-AMCHA", "Cyklo-f heavy period relief", "Cyklokapron", "Exacyl", "Lysteda", "Menstralite", "Tranexamic acid", "Tranexamic acid", "Tranexamic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1046", "category": ["biolink:ChemicalEntity"], "name": "AMINOCAPROIC ACID", "xref": ["InChIKey:SLXKOJJOQWFEFD-UHFFFAOYSA-N", "SMILES:NCCCCCC(=O)O"], "synonym": ["Aminocaproic acid", "Aminocaproic acid", "Aminocaproic acid", "Aminocaproic acid", "Aminocaproic acid", "Acide aminocaproique", "Acido aminocaproico", ".epsilon.-aminocaproic acid", "Epsilon-aminocaproic acid", ".epsilon.-aminocaproic acid", "6-aminocaproic acid", "Aminocaproic acid", "Epsilcapramin", "Hexanoic acid, 6-amino-", "177 J.D", "177 J.D.", "177 JD", "177-JD", "CL 10304", "CL-10304", "CY-116", "EACA", "NSC-26154", "NSC-400230", "Amicar", "Aminocaproic", "Aminocaproic acid", "Epsikapron", "Aminocaproic acid", "Aminocaproic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL220491", "category": ["biolink:ChemicalEntity"], "name": "BRINZOLAMIDE", "xref": ["InChIKey:HCRKCZRJWPKOAR-JTQLQIEISA-N", "SMILES:CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21"], "synonym": ["Brinzolamide", "Brinzolamide", "Brinzolamide", "Brinzolamide", "Brinzolamide", "Brinzolamide", "Brinzolamida", "Brinzolamide", "Brinzolamide", "Brinzolamide", "AL-4862", "NSC-760050", "Azopt", "Brinzolamide component of azarga", "Brinzolamide component of simbrinza", "Brinzolamide", "Brinzolamide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Carbonic anhydrase 2", "xref": ["CHEMBL.TARGET:CHEMBL205"], "id": "UniProtKB:P00918", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201162", "category": ["biolink:ChemicalEntity"], "name": "DORZOLAMIDE HYDROCHLORIDE", "xref": ["InChIKey:OSRUSFPMRGDLAG-QMGYSKNISA-N", "SMILES:CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl"], "synonym": ["Dorzolamide hydrochloride", "Dorzolamide hydrochloride", "Dorzolamide hydrochloride", "Dorzolamide (as hydrochloride)", "Dorzolamide hcl", "Dorzolamide hydrochloride", "MK-507", "Cosopt pf", "Dorzolamide hydrochloride", "Dorzolamide hydrochloride component of cosopt", "Trusopt", "Dorzolamide hydrochloride", "Dorzolamide hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL220492", "category": ["biolink:ChemicalEntity"], "name": "TOPIRAMATE", "xref": ["InChIKey:KJADKKWYZYXHBB-XBWDGYHZSA-N", "SMILES:CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1"], "synonym": ["Topiramate", "Topiramate", "Topiramate", "Topiramate", "Topiramate", "Topiramato", "Topiramate", "Topiramate", "(-)-topiramate", "Epitoma", "Eprontia", "Qudexy", "Sincronil", "Topamac", "Topimax", "Topina", "Topiramate", "Topomax", "MCN-4853", "RWJ-17021", "RWJ-17021-000", "USL-255", "USL255", "Epitomax", "Eprontia", "Qudexy xr", "Topamax", "Topamax sprinkle", "Topiramate", "Topiramate component of qsymia", "Trokendi xr", "Topiramate", "Topiramate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Somatostatin receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL1804"], "id": "UniProtKB:P30874", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201003", "category": ["biolink:ChemicalEntity"], "name": "ELETRIPTAN HYDROBROMIDE", "xref": ["InChIKey:UTINOWOSWSPFLJ-FSRHSHDFSA-N", "SMILES:Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12"], "synonym": ["Eletriptan hydrobromide", "Eletriptan hbr", "Eletriptan hydrobromide", "NSC-759258", "UK-116,044-04", "UK-116044-04", "Relpax", "Eletriptan hydrobromide"], "chembl_availability_type": "prescription only"}
{"name": "5-hydroxytryptamine receptor 1F", "xref": ["CHEMBL.TARGET:CHEMBL1805"], "id": "UniProtKB:P30939", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200521", "category": ["biolink:ChemicalEntity"], "name": "ALMOTRIPTAN MALATE", "xref": ["InChIKey:QHATUKWEVNMHRY-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O"], "synonym": ["Almotriptan malate", "Almotriptan maleate", "Almogran", "Almotriptan d,l-hydrogenmalate", "Almotriptan malate", "LAS 31416 D,L-MALATE ACID", "LAS-31416 D,L-MALATE ACID", "LAS-31416-D,L-MALATE-ACID", "PNU-180638E", "Almotriptan malate", "Axert", "Almotriptan malate", "Almotriptan malate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200645", "category": ["biolink:ChemicalEntity"], "name": "ETOPOSIDE PHOSPHATE", "xref": ["InChIKey:LIQODXNTTZAGID-OCBXBXKTSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O"], "synonym": ["Etoposide phosphate", "Etoposide phosphate", "Etoposide phosphate", "Vepeside", "BMY 40481", "BMY-40481", "VP-16", "VP16", "Etopophos", "Etopophos preservative free", "Etoposide phosphate", "Etoposide phosphate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "DNA topoisomerase 2-alpha", "xref": ["CHEMBL.TARGET:CHEMBL1806"], "id": "UniProtKB:P11388", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200475", "category": ["biolink:ChemicalEntity"], "name": "DAUNORUBICIN CITRATE", "xref": ["InChIKey:VNTHYLVDGVBPOU-QQYBVWGSSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Daunorubicin citrate", "Daunorubicin citrate", "Daunorubicin citrate liposome", "Daunorubicin liposomal", "Daunoxome"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1563", "category": ["biolink:ChemicalEntity"], "name": "DAUNORUBICIN HYDROCHLORIDE", "xref": ["InChIKey:GUGHGUXZJWAIAS-QQYBVWGSSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"], "synonym": ["Daunorubicin hydrochloride", "Daunorubicin hydrochloride", "Daunorubicin hydrochloride", "Daunorubicin (as hydrochloride)", "Daunorubicin hcl", "Daunorubicin hydrochloride", "FI 6339 HYDROCHLORIDE", "FI 6339 [AS THE BASE]", "FI-6339 HYDROCHLORIDE", "NDC 0082-4155", "NDC-0082-4155", "NSC-82151", "RP 13057 HYDROCHLORIDE", "RP 13057 [AS THE BASE)", "RP-13057 HYDROCHLORIDE", "Cerubidine", "Daunorubicin hydrochloride", "Daunorubicin hydrochloride", "Daunorubicin hydrochloride"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL359744", "category": ["biolink:ChemicalEntity"], "name": "DOXORUBICIN HYDROCHLORIDE", "xref": ["InChIKey:MWWSFMDVAYGXBV-RUELKSSGSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"], "synonym": ["Doxorubicin hydrochloride", "Doxorubicin hydrochloride", "Doxorubicin hydrochloride", "Doxorubicin hydrochloride", "Doxorubicin liposomal complex of the hydrochloride", "Adriablastina cs", "Adriamycin, hydrochloride", "Doxorubicin citrate", "Doxorubicin citric acid salt", "Doxorubicin hcl", "Doxorubicin hydrochloride", "Doxorubicini hydrochloridum", "Hydroxydaunomycin hydrochloride", "Liposomal doxorubicin hydrochloride", "Adriamycin", "Adriamycin pfs", "Adriamycin rdf", "Caelyx", "Caelyx pegylated liposomal", "Celdoxome pegylated liposomal", "Doxil", "Doxil (liposomal)", "Doxorubicin hydrochloride", "Doxorubicin hydrochloride (liposomal)", "Doxorubicin hydrochloride component of imx-110", "Myocet", "Myocet liposomal (previously myocet)", "Rubex", "Zolsketil pegylated liposomal", "Doxorubicin hydrochloride"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1417019", "category": ["biolink:ChemicalEntity"], "name": "MITOXANTRONE HYDROCHLORIDE", "xref": ["InChIKey:ZAHQPTJLOCWVPG-UHFFFAOYSA-N", "SMILES:Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21"], "synonym": ["Mitozantrone", "Mitoxantrone hydrochloride", "Mitoxantrone hydrochloride", "Mitoxantrone dihydrochloride", "Mitoxantrone dihcl", "Mitoxantrone hcl", "Mitoxantrone hydrochloride", "CL 232,315", "CL-232315", "NSC-301739", "Mitoxantrone hydrochloride", "Novantrone", "Mitoxantrone hydrochloride", "Mitoxantrone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1096885", "category": ["biolink:ChemicalEntity"], "name": "VALRUBICIN", "xref": ["InChIKey:ZOCKGBMQLCSHFP-KQRAQHLDSA-N", "SMILES:CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"], "synonym": ["Valrubicin", "Valrubicin", "Valrubicin", "Valrubicine", "Valrubicina", "Valrubicin", "Valrubicin", "AD 32", "AD-32", "NSC-246131", "Valstar", "Valstar preservative free", "Valrubicin", "Valrubicin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200976", "category": ["biolink:ChemicalEntity"], "name": "IDARUBICIN HYDROCHLORIDE", "xref": ["InChIKey:JVHPTYWUBOQMBP-RVFAQHLVSA-N", "SMILES:CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl"], "synonym": ["Idarubicin hydrochloride", "Idarubicin hydrochloride", "Idarubicin hydrochloride", "Idarubicin hydrochloride", "Idarubicin hcl", "Idarubicin hydrochloride", "IMI 30", "IMI-30", "NSC-256439", "Idamycin", "Idamycin pfs", "Idarubicin hydrochloride", "Idarubicin hydrochloride pfs", "Zavedos", "Idarubicin hydrochloride", "Idarubicin hydrochloride"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201011", "category": ["biolink:ChemicalEntity"], "name": "QUINAPRIL HYDROCHLORIDE", "xref": ["InChIKey:IBBLRJGOOANPTQ-JKVLGAQCSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.Cl"], "synonym": ["Quinapril hydrochloride", "Quinapril hydrochloride", "Quinapril hydrochloride", "Quinapril hydrochloride", "Quinapril hcl", "Quinapril hydrochloride", "CI 906", "CI-906", "NSC-758222", "Accupril", "Accupro", "Quinapril hydrochloride", "Quinapril hydrochloride component of accuretic", "Quinapril hydrochloride component of quinaretic", "Quinil", "Quinapril hydrochloride", "Quinapril hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Angiotensin-converting enzyme", "xref": ["CHEMBL.TARGET:CHEMBL1808"], "id": "UniProtKB:P12821", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1519", "category": ["biolink:ChemicalEntity"], "name": "TRANDOLAPRIL", "xref": ["InChIKey:VXFJYXUZANRPDJ-WTNASJBWSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21"], "synonym": ["Trandolapril", "Trandolapril", "Trandolapril", "Indolapril", "Trandolapril", "Trandolapril", "Trandolapril", "Trandolapril", "NSC-758939", "RU 44570", "RU-44570", "Gopten", "Mavik", "Odrik", "Trandolapril", "Trandolapril component of tarka", "Trandolapril"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200534", "category": ["biolink:ChemicalEntity"], "name": "MOEXIPRIL HYDROCHLORIDE", "xref": ["InChIKey:JXRAXHBVZQZSIC-JKVLGAQCSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O.Cl"], "synonym": ["Moexipril hydrochloride", "Moexipril hydrochloride", "Moexipril hydrochloride", "Moexipril hcl", "Moexipril hydrochloride", "CI 925", "CI-925", "RS-10085-197", "SPM 925", "SPM-925", "Moexipril hydrochloride", "Moexipril hydrochloride component of uniretic", "Perdix", "Univasc", "Moexipril hydrochloride", "Moexipril hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989406", "category": ["biolink:ChemicalEntity"], "name": "ENALAPRILAT", "xref": ["InChIKey:MZYVOFLIPYDBGD-MLZQUWKJSA-N", "SMILES:C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O"], "synonym": ["Enalaprilat", "Enalaprilat", "Enalaprilat", "Enalaprilate", "Enalapril diacid dihydrate", "Enalapril diacid dihydrate anhydrous", "Enalaprilat", "Enalaprilat dihydrate", "Vasotec i.v.", "MK-422", "NSC-760053", "Enalaprilat", "Enalaprilat", "Enalaprilat"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1168", "category": ["biolink:ChemicalEntity"], "name": "RAMIPRIL", "xref": ["InChIKey:HDACQVRGBOVJII-JBDAPHQKSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21"], "synonym": ["Ramipril", "Ramipril", "Ramipril", "Ramipril", "Ramipril", "Ramipril", "Ramipril", "Cardace", "Corpril", "Delix", "Ecator", "Hopace", "Pramace", "Ramace", "Ramipres", "Ramipril", "Triatec", "Unipril", "Vesdil", "C09AA05", "HOE 498", "HOE-498", "NSC-758933", "Altace", "Lopace", "Ramipril", "Ramipril component of polycap", "Ranace", "Tritace", "Ramipril", "Ramipril"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039596", "category": ["biolink:ChemicalEntity"], "name": "FOSINOPRIL SODIUM", "xref": ["InChIKey:TVTJZMHAIQQZTL-WATAJHSMSA-M", "SMILES:CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C.[Na+]"], "synonym": ["Fosinopril sodium", "Fosinopril sodium", "Fosinopril sodium salt", "Fosenopril sodium", "Fosinopril sodium", "Fosinopril sodium salt", "SQ 28555", "SQ-28555", "Fosinopril sodium", "Fosinopril sodium component of monopril hct", "Fositens", "Fozitec", "Monopril", "Staril", "Fosinopril sodium"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1694", "category": ["biolink:ChemicalEntity"], "name": "BENAZEPRIL HYDROCHLORIDE", "xref": ["InChIKey:VPSRQEHTHIMDQM-FKLPMGAJSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl"], "synonym": ["Benazepril hydrochloride", "Benazepril hydrochloride", "Benazepril hydrochloride", "Benazepril hydrochloride", "Benazepril hcl", "Benazepril hydrochloride", "CGS 14824A HCL", "CGS-14824A HCL", "NSC-758920", "Benazepril hydrochloride", "Benazepril hydrochloride component of cardalis", "Benazepril hydrochloride component of fortekor plus", "Benazepril hydrochloride component of lotensin hct", "Benazepril hydrochloride component of lotrel", "Cibacen", "Lotensin", "Benazepril hydrochloride", "Benazepril hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1560", "category": ["biolink:ChemicalEntity"], "name": "CAPTOPRIL", "xref": ["InChIKey:FAKRSMQSSFJEIM-RQJHMYQMSA-N", "SMILES:C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O"], "synonym": ["Captopril", "Captopril", "Captopril", "Captopril", "Captopril", "Captopril", "Captopril", "Apopril", "Captomax", "Captopril", "Captoprilum", "Farcopril", "Garranil", "Hypopress", "Mepha", "Tensiomin", "Zapto", "C09AA01", "NSC-757419", "SA-333", "SQ -14225", "SQ 14,225", "SQ-14225", "Acepril", "Capoten", "Captomex", "Captopril", "Ecopace", "Hyteneze 12.5", "Hyteneze 25", "Hyteneze 50", "Kaplon", "Lopril", "Noyada", "Tensobon", "Captopril", "Captopril"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200343", "category": ["biolink:ChemicalEntity"], "name": "PERINDOPRIL ERBUMINE", "xref": ["InChIKey:IYNMDWMQHSMDDE-MHXJNQAMSA-N", "SMILES:CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC"], "synonym": ["Perindopril erbumine", "Perindopril erbumine", "Perindopril erbumine", "Perindopril tert-butylamine", "Perindopril erbumine", "MCN-A-2833-109", "NSC-758929", "S-9490-3", "Aceon", "Coversyl", "Perindopril erbumine", "Perindopril erbumine component of amlessa", "Perindopril erbumine", "Perindopril erbumine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL419213", "category": ["biolink:ChemicalEntity"], "name": "LISINOPRIL", "xref": ["InChIKey:CZRQXSDBMCMPNJ-ZUIPZQNBSA-N", "SMILES:NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O"], "synonym": ["Lisinopril", "Lisinopril", "Lisinopril", "Lisinopril", "Lisinopril", "Lisinopril", "Lisinopril hydrate", "Lisinopril dihydrate", "Lisinopril", "Lisinopril dihydrate", "Lisinopril hydrate", "Ranolip", "MK-521", "NSC-751176", "NSC-758151", "Acemin", "Carace", "Lisinopril", "Lisinopril component of prinzide", "Lisinopril component of zestoretic", "Lisopress", "Prinivil", "Qbrelis", "Zestril", "Lisinopril", "Lisinopril"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200659", "category": ["biolink:ChemicalEntity"], "name": "ENALAPRIL MALEATE", "xref": ["InChIKey:OYFJQPXVCSSHAI-QFPUQLAESA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\\C(=O)O"], "synonym": ["Enalapril maleate", "Enalapril maleate", "Enalapril maleate", "Enalapril maleate", "Enalapril maleate", "Amprace", "Cardiovet", "Enacard", "Enalapril maleate", "Glioten", "Hipoartel", "Naprilene", "Reniten", "Renivace", "Xanef", "MK-421", "NSC-758143", "Aqumeldi", "Ednyt", "Enalapril maleate", "Enalapril maleate component of lexxel", "Enalapril maleate component of teczem", "Enalapril maleate component of vaseretic", "Enapren", "Epaned", "Epaned kit", "Innovace", "Pralenal 10", "Pralenal 2.5", "Pralenal 20", "Pralenal 5", "Pres", "Renitec", "Vasotec", "Enalapril maleate", "Enalapril maleate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200831", "category": ["biolink:ChemicalEntity"], "name": "SPIRAPRIL HYDROCHLORIDE", "xref": ["InChIKey:CLDOLNORSLLQDI-OOAIBONUSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2.Cl"], "synonym": ["Spirapril hydrochloride", "Spirapril hcl", "Spirapril hydrochloride", "SCH 33844", "SCH-33844", "Renormax", "Spirapril hydrochloride"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1472", "category": ["biolink:ChemicalEntity"], "name": "PROTIRELIN", "xref": ["InChIKey:XNSAINXGIQZQOO-SRVKXCTJSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1"], "synonym": ["Protirelin", "Protirelin", "Protirelin", "Protirelin", "Protirelin", "Protireline", "Protirelina", "Protirelin", "Protirelin tartrate", "Trh", "5-oxo-pro-his-pro-nh2", "Lopremone", "Protirelin", "Protirelin, synthetic", "Relefact trh", "Thyroid releasing hormone", "Thyroliberin", "Thyrotropin releasing hormone", "Thyrotropin-releasing factor", "Thyrotropin-releasing hormone", "A-38579", "ABBOTT-38579", "NSC-760113", "SYNTHETIC TRH", "Thypinone", "Thyrel trh", "Trh-cambridge", "Protirelin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Thyrotropin-releasing hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL1810"], "id": "UniProtKB:P34981", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495", "category": ["biolink:ChemicalEntity"], "name": "ALPROSTADIL", "xref": ["InChIKey:GMVPRGQOIOIIMI-DWKJAMRDSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O"], "synonym": ["Alprostadil", "Alprostadil", "Alprostadil", "Alprostadil", "Alprostadil", "Alprostadil", "Prostaglandin e1", "Alprostadil", "Pge1", "Prostaglandin e1", "NSC-165559", "ONO-1608", "U-10,136", "U-10136", "Alprostadil", "Caverject", "Caverject impulse", "Edex", "Prostin vr", "Prostin vr pediatric", "Viridal 10", "Viridal 20", "Viridal 5", "Viridal duo", "Vitaros", "Alprostadil", "Alprostadil"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Prostaglandin E2 receptor EP1 subtype", "xref": ["CHEMBL.TARGET:CHEMBL1811"], "id": "UniProtKB:P34995", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98", "category": ["biolink:ChemicalEntity"], "name": "VORINOSTAT", "xref": ["InChIKey:WAEXFXRVDQXREF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccccc1)NO"], "synonym": ["Vorinostat", "Vorinostat", "Vorinostat", "Vorinostat", "Vorinostat", "Suberoylanilide hydroxamic acid", "Vorinostat", "MK-0683", "MK0683", "NSC-701852", "NSC-748799", "NSC-759852", "Zolinza", "Vorinostat"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Histone deacetylase 1", "xref": ["CHEMBL.TARGET:CHEMBL325"], "id": "UniProtKB:Q13547", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pancreatic triacylglycerol lipase", "xref": ["CHEMBL.TARGET:CHEMBL1812"], "id": "UniProtKB:P16233", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1963684", "category": ["biolink:ChemicalEntity"], "name": "PEGINESATIDE ACETATE", "synonym": ["Peginesatide acetate", "Hematide acetate", "AF 37702 ACETATE", "AF-37702 ACETATE", "AF37702", "AF37702 ACETATE", "Omontys", "Omontys preservative free", "Peginesatide acetate"], "chembl_black_box_warning": "True", "chembl_availability_type": "withdrawn"}
{"name": "Erythropoietin receptor", "xref": ["CHEMBL.TARGET:CHEMBL1817"], "id": "UniProtKB:P19235", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201565", "category": ["biolink:ChemicalEntity"], "name": "EPOETIN ALFA", "synonym": ["Epoetin alfa", "Epoetin alfa", "Epoetin alfa", "Epoetin alfa", "Epoetin alfa", "Epoetine alfa", "Epoetina alfa", "Epoetin alfa", "Abseamed", "Binocrit", "Epoetin alfa hexal", "Eprex", "Epoetin alfa", "Erythropoietin alfa", "Erythropoietin for bioassays"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201566", "category": ["biolink:ChemicalEntity"], "name": "DARBEPOETIN ALFA", "synonym": ["Darbepoetin alfa", "Darbepoetin alfa", "Darbepoetin alfa", "Darbepoetin alfa", "Darbepoetin alfa", "Darbepoetin alfa", "Darbepoetine alfa", "Darbepoetina alfa", "Darbepoetin alfa", "Darbepoetin alfa", "Da3880", "Darbepoetin", "Darbepoetin alfa", "Darbepoetin alfa,recombinant", "Nespo", "DA-3880", "KRN-321", "KRN321", "NESP", "Aranesp", "Aranesp sureclick", "Nespo", "Darbepoetin alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1643", "category": ["biolink:ChemicalEntity"], "name": "RIBAVIRIN", "xref": ["InChIKey:IWUCXVSUMQZMFG-AFCXAGJDSA-N", "SMILES:NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1"], "synonym": ["Ribavirin", "Tribavirin", "Ribavirin", "Ribavirin", "Ribavirin", "Ribavirin", "Ribavirine", "Ribavirina", "Ribavirin", "Ribavirin", "Cotronak", "Ribavirin", "Ribavirin biopartners", "Ribavirin mylan", "Ribavirin teva", "NSC-163039", "SCH 18908", "SCH-18908", "Copegus", "Cotronak", "Rebetol", "Ribapak", "Ribasphere", "Ribavarin", "Ribavirin", "Ribavirin biopartners", "Ribavirin mylan (previously ribavirin three rivers)", "Ribavirin teva", "Ribavirin teva pharma b.v.", "Ribofluranosyl carboxamide", "Viramid", "Virazid", "Virazole", "Ribavirin", "Ribavirin"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Inosine-5'-monophosphate dehydrogenase 1", "xref": ["CHEMBL.TARGET:CHEMBL1822"], "id": "UniProtKB:P20839", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201585", "category": ["biolink:ChemicalEntity"], "name": "TRASTUZUMAB", "synonym": ["Trastuzumab", "Trastuzumab", "Trastuzumab", "Trastuzumab", "Trastuzumab", "Trastuzumab", "Trastuzumab beta", "Trastuzumab", "Abp-980 (trastuzumab biosimilar)", "Bmab-200", "Canhera", "Dmb-3111", "Eg-12014 (trastuzumab biosimilar)", "Eg12014 trastuzumab biosimilar", "Hercessi", "Herzuma", "Hlx 02", "Hlx-02 trastuzumab biosimilar", "Hlx02", "Kanjinti", "Ogivri", "Ontruzant", "Pf-05280014", "Rhumab her2", "Sb-3 (trastuzumab biosimilar)", "Trastuzumab", "Trastuzumab (herceptin)", "Trastuzumab anns", "Trastuzumab biosimilar (abp-980)", "Trastuzumab biosimilar (amgen)", "Trastuzumab biosimilar (ct-p6)", "Trastuzumab biosimilar (pfizer)", "Trastuzumab biosimilar (sb-3)", "Trastuzumab dkst", "Trastuzumab dttb", "Trastuzumab pkrb", "Trastuzumab qyyp", "Trastuzumab-anns", "Trastuzumab-dkst", "Trastuzumab-dttb", "Trastuzumab-oysk", "Trastuzumab-pfizer", "Trastuzumab-pkrb", "Trastuzumab-qyyp", "Trastuzumab-strf", "Trastuzumab-zzxf", "Trazimera", "Zercepac", "4D5V8", "ABP 980", "ABP-980", "ABP980", "DMB-3111 (TRASTUZUMAB BIOSIMILAR)", "EG-12014", "EG12014", "HLX-02", "R-597", "RHUMABHER2", "RO-0452317", "RO0452317", "SYD-977", "SYD977", "Herceptin", "Herwenda", "Herzuma", "Kadcyla", "Kanjinti", "Ogivri", "Ontruzant", "Trastuzumab component of herceptin hylecta", "Trastuzumab component of phesgo", "Trazimera", "Zercepac", "Trastuzumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Receptor tyrosine-protein kinase erbB-2", "xref": ["CHEMBL.TARGET:CHEMBL1824"], "id": "UniProtKB:P04626", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2007641", "category": ["biolink:ChemicalEntity"], "name": "PERTUZUMAB", "synonym": ["Pertuzumab", "Pertuzumab", "Pertuzumab", "Pertuzumab", "Pertuzumab", "Pertuzumab", "Pertuzumab", "Pertuzumab", "Pertuzumab", "Pertuzumab-zzxf", "Sysa-1901 (pertuzumab biosimilar)", "Sysa1901", "RG-1273", "RHUMAB 2C4", "RHUMAB-2C4", "RHUMAB2C4", "SYSA-1901", "Omnitarg", "Omnitarg perjeta", "Perjeta", "Pertuzumab component of phesgo", "Pertuzumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743082", "category": ["biolink:ChemicalEntity"], "name": "TRASTUZUMAB EMTANSINE", "synonym": ["Trastuzumab emtansine", "Trastuzumab emtansine", "Ado-trastuzumab emtansine", "Trastuzumab emtansine", "Trastuzumab emtansina", "T-dm1", "Trastuzumab emtansine", "PRO-132365", "RG-3502", "TDM-1", "TDM1", "TRASTUZUMAB-MCC-DM1 T-DM1", "Kadcyla", "Trastuzumab emtansine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201179", "category": ["biolink:ChemicalEntity"], "name": "LAPATINIB DITOSYLATE", "xref": ["InChIKey:XNRVGTHNYCNCFF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O"], "synonym": ["Lapatinib ditosylate", "Lapatinib ditosylate", "Lapatinib tosilate hydrate", "Lapatinib ditoluenesulfonate monohydrate", "Lapatinib ditosylate", "Lapatinib ditosylate anhydrous", "Lapatinib ditosylate monohydrate", "Lapatinib tosilate", "Lapatinib tosilate hydrate", "Tycerb", "GW-572016F", "GW572016F", "Tykerb", "Tyverb", "Lapatinib ditosylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201659", "category": ["biolink:ChemicalEntity"], "name": "CHLORPHENIRAMINE POLISTIREX", "synonym": ["Chlorpheniramine polistirex", "Chlorpheniramine polistirex", "Chlorpheniramine polistirex component of codeprex", "Chlorpheniramine polistirex component of corsym", "Chlorpheniramine polistirex component of penntuss", "Chlorpheniramine polistirex"], "chembl_availability_type": "prescription only"}
{"name": "Histamine H1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL231"], "id": "UniProtKB:P35367", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989885", "category": ["biolink:ChemicalEntity"], "name": "TRIMEPRAZINE TARTRATE", "xref": ["InChIKey:AJZJIYUOOJLBAU-UHFFFAOYSA-N", "SMILES:CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Alimemazine tartrate", "Trimeprazine tartrate", "Alimemazine hemitartrate", "Methylpromazine tartrate", "Panectyl", "Repeltin", "Theralene", "Trimeprazine hemitartrate", "NSC-17475", "NSC-757358", "Temaril", "Trimeprazine tartrate", "Vallergan", "Vallergan fte"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200491", "category": ["biolink:ChemicalEntity"], "name": "EPINASTINE HYDROCHLORIDE", "xref": ["InChIKey:VKXSGUIOOQPGAF-UHFFFAOYSA-N", "SMILES:Cl.NC1=NCC2c3ccccc3Cc3ccccc3N12"], "synonym": ["Epinastine hydrochloride", "Epinastine hydrochloride", "Epinastine hydrochloride", "Alesion", "Epinastine hcl", "Epinastine hydrochloride", "DE-114", "WAL 801 CL", "WAL-801CL", "WAL-802-CL", "Elestat", "Epinastine hydrochloride", "Relestat", "Epinastine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200497", "category": ["biolink:ChemicalEntity"], "name": "CYCLIZINE LACTATE", "xref": ["InChIKey:JOROEVAWQLGPFQ-UHFFFAOYSA-N", "SMILES:CC(O)C(=O)O.CN1CCN(C(c2ccccc2)c2ccccc2)CC1"], "synonym": ["Cyclizine lactate", "Cyclizine lactate", "Marezine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200618", "category": ["biolink:ChemicalEntity"], "name": "FEXOFENADINE HYDROCHLORIDE", "xref": ["InChIKey:RRJFVPUCXDGFJB-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl"], "synonym": ["Fexofenadine hydrochloride", "Fexofenadine hydrochloride", "Fexofenadine hydrochloride", "Fexofenadine hydrochloride", "Fexofenadine hcl", "Fexofenadine hydrochloride", "MDL 16,455A", "MDL-16455A", "Allegra", "Allegra allergy", "Allegra hives", "Children's allegra allergy", "Children's allegra hives", "Children's fexofenadine hydrochloride allergy", "Children's fexofenadine hydrochloride hives", "Fexofenadine hydrochloride", "Fexofenadine hydrochloride allergy", "Fexofenadine hydrochloride component of allegra-d", "Fexofenadine hydrochloride hives", "Telfast 120", "Telfast 180", "Telfast 30", "Fexofenadine hydrochloride", "Fexofenadine hydrochloride"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1716", "category": ["biolink:ChemicalEntity"], "name": "CYPROHEPTADINE HYDROCHLORIDE", "xref": ["InChIKey:ZPMVNZLARAEGHB-UHFFFAOYSA-N", "SMILES:CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl"], "synonym": ["Cyproheptadine hydrochloride", "Cyproheptadine hydrochloride", "Cyproheptadine hydrochloride hydrate", "Cyproheptadine hydrochloride sesquihydrate", "Cyproheptadine hcl", "Cyproheptadine hydrochloride", "Periactine", "Peritol", "NSC-169911", "NSC-759282", "Cyproheptadine hydrochloride", "Cyproheptadine hydrocloride", "Periactin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544908", "category": ["biolink:ChemicalEntity"], "name": "AZATADINE MALEATE", "xref": ["InChIKey:SGHXFFAHXTZRQM-SPIKMXEPSA-N", "SMILES:CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O"], "synonym": ["Azatadine maleate", "Azatadine maleate", "Azatadine dimaleate", "Azatadine dimaleate", "Azatadine maleate", "NSC-759874", "SCH 10649", "SCH-10649", "Azatadine maleate component of trinalin", "Lergocil", "Optimine", "Azatadine maleate", "Azatadine maleate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200638", "category": ["biolink:ChemicalEntity"], "name": "DEXBROMPHENIRAMINE MALEATE", "xref": ["InChIKey:SRGKFVAASLQVBO-DASCVMRKSA-N", "SMILES:CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Dexbrompheniramine maleate", "Brompheniramine d-form maleate", "Brompheniramine d-form maleate", "Dexbrompheniramine maleate component of brompheril", "Dexbrompheniramine maleate component of disobrom", "Dexbrompheniramine maleate component of disophrol", "Dexbrompheniramine maleate component of drixoral", "Dexbrompheniramine maleate component of drixoral plus", "Dexbrompheniramine maleate component of resporal", "Disomer"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200750", "category": ["biolink:ChemicalEntity"], "name": "PROMETHAZINE HYDROCHLORIDE", "xref": ["InChIKey:XXPDBLUZJRXNNZ-UHFFFAOYSA-N", "SMILES:CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl"], "synonym": ["Promethazine hydrochloride", "Promethazine hydrochloride", "Promethazine hydrochloride", "Anergan 25", "Genphen", "Mepergan", "Mymethazine fortis", "Phenergan", "Phenergan nightime", "Phenhalal", "Phensedyl", "Prometh fortis", "Prometh plain", "Promethacon", "Promethazine hydrochloride", "Promethazine hydrochloride component of mepergan", "Promethazine hydrochloride component of phenergan vc", "Promethazine hydrochloride component of pherazine dm", "Promethazine hydrochloride component of pherazine vc", "Promethazine hydrochloride component of promethazine dm", "Promethazine hydrochloride component of promethazine vc", "Promethazine hydrochloride plain", "Promethazine plain", "Promethegan", "Prorex", "Q-mazine", "Remsed", "Sarantihist", "Sominex", "Zipan-25", "Zipan-50"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200809", "category": ["biolink:ChemicalEntity"], "name": "AZELASTINE HYDROCHLORIDE", "xref": ["InChIKey:YEJAJYAHJQIWNU-UHFFFAOYSA-N", "SMILES:CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl"], "synonym": ["Azelastine hydrochloride", "Azelastine hydrochloride", "Azelastine hydrochloride", "Azelastine hydrochloride", "Azelastine hcl", "Azelastine hydrochloride", "A-5610", "E-0659", "W-2979M", "Astelin", "Astepro", "Astepro allergy", "Azelastine hydrochloride", "Azelastine hydrochloride component of dymista", "Children's astepro allergy", "Optilast", "Optivar", "Rhinolast", "Rhinolast allergy", "Azelastine hydrochloride", "Azelastine hydrochloride"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200961", "category": ["biolink:ChemicalEntity"], "name": "BROMPHENIRAMINE MALEATE", "xref": ["InChIKey:SRGKFVAASLQVBO-BTJKTKAUSA-N", "SMILES:CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Brompheniramine maleate", "Brompheniramine maleate", "Brompheniramine maleate", "(+)-brompheniramine maleate", "Brompheniramine maleate", "NSC-758652", "Brompheniramine maleate", "Brompheniramine maleate component of biphetap", "Brompheniramine maleate component of bromanate", "Brompheniramine maleate component of bromanate dc", "Brompheniramine maleate component of bromanate dm", "Brompheniramine maleate component of bromatapp", "Brompheniramine maleate component of bromfed-dm", "Brompheniramine maleate component of dimetane-dc", "Brompheniramine maleate component of dimetane-dx", "Brompheniramine maleate component of dimetapp", "Brompheniramine maleate component of myphetane dc", "Dimegan", "Dimetane", "Dimetane-ten", "Dimotane", "Dimotane l.a."], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201006", "category": ["biolink:ChemicalEntity"], "name": "PYRILAMINE MALEATE", "xref": ["InChIKey:JXYWFNAQESKDNC-BTJKTKAUSA-N", "SMILES:COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Pyrilamine maleate", "Antamine", "Anthisan", "Dorantamin", "Enrumay", "Histalon", "Histan", "Histapyran", "Histatex", "Mepyramine maleate", "Neo-antergan", "Paraminyl", "Parmal", "Pyramal", "Stamine", "Stangen", "Thylogen", "NSC-3604", "Pyrilamine maleate", "Pyrilamine maleate component of prefrin-a"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1607273", "category": ["biolink:ChemicalEntity"], "name": "CETIRIZINE HYDROCHLORIDE", "xref": ["InChIKey:PGLIUCLTXOYQMV-UHFFFAOYSA-N", "SMILES:Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1"], "synonym": ["Cetirizine hydrochloride", "Cetirizine hydrochloride", "Cetirizine hydrochloride", "Cetirizine dihydrochloride", "Cetirizine hcl", "Cetirizine hydrochloride", "Cetrine", "NSC-759102", "P 071", "P-071", "Allacan", "Allertek", "Becoallergy", "Cetec", "Cetirizine hydrochloride", "Cetirizine hydrochloride allergy", "Cetirizine hydrochloride component of zyrtec-d", "Cetirizine hydrochloride hives", "Cetirizine hydrochloride hives relief", "Cetirocol", "Children's cetirizine hydrochloride allergy", "Children's cetirizine hydrochloride hives relief", "Children's zyrtec allergy", "Children's zyrtec hives relief", "Piriteze", "Pollenshield", "Quzyttir", "Zerviate", "Ziralton", "Zirtek", "Zynor", "Zyrtec", "Zyrtec allergy", "Zyrtec hives relief", "Cetirizine hydrochloride", "Cetirizine hydrochloride"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1719", "category": ["biolink:ChemicalEntity"], "name": "OLOPATADINE HYDROCHLORIDE", "xref": ["InChIKey:HVRLZEKDTUEKQH-NOILCQHBSA-N", "SMILES:CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl"], "synonym": ["Olopatadine hydrochloride", "Olopatadine hydrochloride", "Olopatadine hydrochloride", "Olopatadine hydrochloride", "Allelock", "Olopatadine (as hydrochloride)", "Olopatadine hcl", "Olopatadine hydrochloride", "ALO-4943A", "ALO4943A", "KW-4679", "KW4679", "Olopatadine hydrochloride", "Olopatadine hydrochloride component of ryaltris", "Opatanol", "Pataday", "Pataday once daily relief", "Pataday twice daily relief", "Patanase", "Patanol", "Pazeo", "Olopatadine hydrochloride", "Olopatadine hydrochloride"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200532", "category": ["biolink:ChemicalEntity"], "name": "METHDILAZINE HYDROCHLORIDE", "xref": ["InChIKey:IEISBKIVLDXSMZ-UHFFFAOYSA-N", "SMILES:CN1CCC(CN2c3ccccc3Sc3ccccc32)C1.Cl"], "synonym": ["Methdilazine hydrochloride", "Methdilazine hcl", "NSC-169091", "Methdilazine hydrochloride", "Tacaryl"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200927", "category": ["biolink:ChemicalEntity"], "name": "DEXCHLORPHENIRAMINE MALEATE", "xref": ["InChIKey:DBAKFASWICGISY-DASCVMRKSA-N", "SMILES:CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Dexchlorpheniramine maleate", "Chlorpheniramine d-form maleate", "Chlorpheniramine maleate, (s)-", "D-chlorpheniramine maleate", "Dexchlorpheniramine maleate", "NSC-759156", "Dexchlorpheniramine maleate", "Polaramine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL998", "category": ["biolink:ChemicalEntity"], "name": "LORATADINE", "xref": ["InChIKey:JCCNYMKQOSZNPW-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1"], "synonym": ["Loratadine", "Loratadine", "Loratadine", "Loratadine", "Loratadine", "Loratadina", "Loratadine", "Loratadine", "Loratadine", "BAY76-2211", "NSC-758628", "SCH 29851", "SCH-29851", "Alavert", "Children's claritin", "Claritin", "Claritin hives relief", "Claritin hives relief reditab", "Claritin reditabs", "Clarityn", "Clarityn rapide", "Clarityne", "Hay-rite", "Loratadine", "Loratadine component of claritin-d", "Loratadine redidose", "Roletra", "Loratadine", "Loratadine"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1659", "category": ["biolink:ChemicalEntity"], "name": "CHLORPHENIRAMINE MALEATE", "xref": ["InChIKey:DBAKFASWICGISY-BTJKTKAUSA-N", "SMILES:CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Chlorphenamine maleate", "Chlorpheniramine maleate", "Chlorpheniramine maleate", "(+)-chlorpheniramine maleate", "Chlorphenamine hydrogen maleate", "Chlorphenamine maleate", "Chlorphenamini hydrogenomaleas", "Chlorpheniramine maleate", "Efidac", "Histaspan", "Neorestamin", "Pyridamal", "Synistamin", "NSC-756684", "Allercalm allergy relief", "Allerief", "Alunex", "Antagonate", "Calimal", "Chlor-trimeton", "Chlorpheniramine maleate", "Chlorpheniramine maleate component of advil allergy sinus", "Chlorpheniramine maleate component of codimal-l.a. 12", "Chlorpheniramine maleate component of contac", "Chlorpheniramine maleate component of demazin", "Chlorpheniramine maleate component of drize", "Chlorpheniramine maleate component of isoclor", "Chlorpheniramine maleate component of ornade", "Chlorpheniramine maleate component of triaminic", "Chlorpheniramine maleate component of vituz", "Chlorpheniramine maleate component of zutripro", "Efidac 24 chlorpheniramine maleate", "Hayleve", "Kloromin", "Phenetron", "Piriject", "Piriton", "Piriton allergy", "Pyridamal 100", "Rhino-syrup allergy", "Rimarin", "Teldrin"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200795", "category": ["biolink:ChemicalEntity"], "name": "CLEMASTINE FUMARATE", "xref": ["InChIKey:PMGQWSIVQFOFOQ-YKVZVUFRSA-N", "SMILES:CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O"], "synonym": ["Clemastine fumarate", "Clemastine fumarate", "Clemastine fumarate", "Clemastine fumarate", "Clemastine hydrogen fumarate", "Clemastine fumarate", "Clemastine fumarate", "Clemastine fumarate component of tavist-d", "Tavegil", "Tavist", "Tavist-1", "Clemastine fumarate", "Clemastine fumarate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237102", "category": ["biolink:ChemicalEntity"], "name": "LEVOCABASTINE HYDROCHLORIDE", "xref": ["InChIKey:OICFWWJHIMKBCD-VALQNVSPSA-N", "SMILES:C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl"], "synonym": ["Levocabastine hydrochloride", "Levocabastine hydrochloride", "Levocabastine hydrochloride", "Levocabastine hcl", "Levocabastine hydrochloride", "R 50,547", "R-50547", "Livostin", "Levocabastine hydrochloride", "Levocabastine hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200967", "category": ["biolink:ChemicalEntity"], "name": "BROMODIPHENHYDRAMINE HYDROCHLORIDE", "xref": ["InChIKey:ZQDJSWUEGOYDGT-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1.Cl"], "synonym": ["Bromodiphenhydramine hydrochloride", "Bromazine hydrochloride", "Bromodiphenhydramine hcl", "NSC-36113", "Ambodryl", "Bromodiphenhydramine hydrochloride component of ambenyl", "Bromodiphenhydramine hydrochloride component of bromanyl"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201068", "category": ["biolink:ChemicalEntity"], "name": "PROPIOMAZINE HYDROCHLORIDE", "xref": ["InChIKey:UGVNGSMLNPWNNA-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2.Cl"], "synonym": ["Propiomazine hydrochloride", "Propiomazine hcl", "Largon"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989555", "category": ["biolink:ChemicalEntity"], "name": "MECLIZINE HYDROCHLORIDE", "xref": ["InChIKey:KDLHYOMCWBWLMM-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl.O"], "synonym": ["Meclozine hydrochloride", "Meclizine hydrochloride", "Meclizine dihydrochloride monohydrate", "Agyrax", "Ancolan", "Anhydrous meclozine hydrochloride", "Bonamine", "Meclizine hcl", "Meclizine hydrochloride", "Meclizine hydrochloride anhydrous", "Meclizine monohydrochloride", "Meclozine dihydrochloride", "Meclozine hydrochloride monohydrate", "Meclozine monohydrochloride", "Postafen", "NSC-28728", "NSC-757094", "UCB-5062", "Ancoloxin", "Antivert", "Bonine", "Meclizine hydrochloride", "Sea-legs", "Traveleeze"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989520", "category": ["biolink:ChemicalEntity"], "name": "HISTAMINE PHOSPHATE", "xref": ["InChIKey:ZHIBQGJKHVBLJJ-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]cn1.O=P(O)(O)O.O=P(O)(O)O"], "synonym": ["Histamine phosphate", "Histamine phosphate", "Histamine phosphate", "Histamine phosphate"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200974", "category": ["biolink:ChemicalEntity"], "name": "CARBINOXAMINE MALEATE", "xref": ["InChIKey:GVNWHCVWDRNXAZ-BTJKTKAUSA-N", "SMILES:CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Carbinoxamine maleate", "Carbinoxamine maleate", "NSC-62362", "Carbinoxamine maleate", "Clistin", "Davenol", "Karbinal er"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201747", "category": ["biolink:ChemicalEntity"], "name": "ALCAFTADINE", "xref": ["InChIKey:MWTBKTRZPHJQLH-UHFFFAOYSA-N", "SMILES:CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1"], "synonym": ["Alcaftadine", "Alcaftadine", "Alcaftadine", "Alcaftadina", "Alcaftadine", "Alcaftadine", "R 89674", "R-89674", "Lastacaft", "Alcaftadine"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1224", "category": ["biolink:ChemicalEntity"], "name": "ACRIVASTINE", "xref": ["InChIKey:PWACSDKDOHSSQD-IUTFFREVSA-N", "SMILES:Cc1ccc(/C(=C\\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1"], "synonym": ["Acrivastine", "Acrivastine", "Acrivastine", "Acrivastine", "Acrivastine", "Acrivastina", "BW 825C", "BW-825C", "Acrivastine component of semprex-d", "Benadryl allgy relief plus decongest", "Semprex", "Acrivastine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3188034", "category": ["biolink:ChemicalEntity"], "name": "TRIPROLIDINE HYDROCHLORIDE", "xref": ["InChIKey:CUZMOIXUFHOLLN-UMVVUDSKSA-N", "SMILES:Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1.Cl.O"], "synonym": ["Triprolidine hydrochloride", "Triprolidine hydrochloride", "Triprolidine hydrochloride hydrate", "Triprolidine hydrochloride monohydrate", "Triprolidine hcl", "Triprolidine hydrochloride monohydrate", "NSC-757361", "Actidil", "Myidyl", "Pro-actidil", "Triprolidine hydrochloride", "Triprolidine hydrochloride component of actahist", "Triprolidine hydrochloride component of actifed", "Triprolidine hydrochloride component of allerfed", "Triprolidine hydrochloride component of corphed", "Triprolidine hydrochloride component of histafed", "Triprolidine hydrochloride component of myfed", "Triprolidine hydrochloride component of triacin-c", "Triprolidine hydrochloride component of trilitron", "Triprolidine hydrochloride component of triphed"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200769", "category": ["biolink:ChemicalEntity"], "name": "TRIPELENNAMINE CITRATE", "xref": ["InChIKey:GGRBYIUPUOYRLQ-UHFFFAOYSA-N", "SMILES:CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Tripelennamine citrate", "NSC-757360", "Pbz"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3186993", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYZINE HYDROCHLORIDE", "xref": ["InChIKey:ANOMHKZSQFYSBR-UHFFFAOYSA-N", "SMILES:Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1"], "synonym": ["Hydroxyzine hydrochloride", "Hydroxyzine hydrochloride", "Hydroxyzine dihydrochloride", "Hydroxyzine hydrochloride", "Alamon", "Atarax", "Atarax dihydrochloride", "Aterax", "Atranine a", "Durrax", "Hydroxyzine hydrochloride", "Orgatrax", "Ucerax", "Vistaril"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1172", "category": ["biolink:ChemicalEntity"], "name": "DESLORATADINE", "xref": ["InChIKey:JAUOIFJMECXRGI-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1"], "synonym": ["Desloratadine", "Desloratadine", "Desloratadine", "Desloratadine", "Desloratadine", "Desloratadine", "Desloratadina", "Desloratadine", "Desloratadine", "Allex", "Azomyr", "Dasselta", "Denosin", "Descarboethoxyloratadine", "Desloratadine", "Desloratadine actavis", "Desloratadine teva", "Opulis", "NSC-759824", "SCH 34117", "SCH-34117", "Aerius", "Allex", "Azomyr", "Clarinex", "Dasselta", "Desloratadine", "Desloratadine actavis", "Desloratadine actavis (authorized: rhinitis, urticaria)", "Desloratadine component of clarinex-d", "Desloratadine ratiopharm", "Desloratadine ratiopharm (authorized: rhinitis, urticaria)", "Desloratadine teva", "Desloratadine teva (authorized: rhinitis, urticaria)", "Midetorin", "Neoclarityn", "Opulis", "Desloratadine", "Desloratadine", "Loratadine related compound a", "Loratadine related compound a rs"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1620", "category": ["biolink:ChemicalEntity"], "name": "DIPHENHYDRAMINE HYDROCHLORIDE", "xref": ["InChIKey:PCHPORCSPXIHLZ-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(c1ccccc1)c1ccccc1.Cl"], "synonym": ["Diphenhydramine hydrochloride", "Diphenhydramine hydrochloride", "Diphenhydramine hydrochloride", "Diphenhydramine hcl", "Diphenhydramine hydrochloride", "NSC-33299", "Antitussive", "Beldin", "Belix", "Benadryl", "Benadryl preservative free", "Benylin", "Caladryl", "Coltex", "Dibenil", "Diphen", "Diphenhydramine hydrochloride", "Diphenhydramine hydrochloride component of benylin", "Diphenhydramine hydrochloride preservative free", "Dreemon", "Fedril", "Gppe cough expect paed", "Gppe oral soln", "Histergan", "Hydramine", "Medinex", "Nightcalm", "Nytol", "Nytol one-a-night", "Paxidorm", "Silphen", "Sleepia", "Tixylix catarrh", "Vicks formula 44"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1653", "category": ["biolink:ChemicalEntity"], "name": "PHENIRAMINE MALEATE", "xref": ["InChIKey:SSOXZAQUVINQSA-BTJKTKAUSA-N", "SMILES:CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Pheniramine maleate", "Pheniramine maleate", "Pheniramine maleate", "Pheniramine maleate", "Antolozine", "Daneral", "Fervex", "Inhiston", "Naphcon a", "Pheniramine hydrogen maleate", "Pheniramine maleate", "Prophenpyridamine maleate", "Trimeton", "Trimetose", "NSC-757270", "PM-241", "Avil", "Avil ret", "Daneral-sa", "Pheniramine maleate component of naphcon-a", "Pheniramine maleate component of visine", "Pheniramine maleate component of visine-a", "Pheniramine maleate", "Pheniramine maleate"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200392", "category": ["biolink:ChemicalEntity"], "name": "DOXYLAMINE SUCCINATE", "xref": ["InChIKey:KBAUFVUYFNWQFM-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O"], "synonym": ["Doxylamine succinate", "Doxylamine succinate", "Alsodorm", "Donormil", "Donormyl", "Dormidina", "Doxylamine hydrogen succinate", "Doxylamine succinate", "Gittalun", "Hoggar n", "Meraprina", "NSC-74772", "Decapryn", "Doxy-sleep-aid", "Doxylamine succinate", "Doxylamine succinate component of bendectin", "Doxylamine succinate component of bonjesta", "Doxylamine succinate component of diclectin", "Doxylamine succinate component of diclegis", "Unisom"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200446", "category": ["biolink:ChemicalEntity"], "name": "TRIPELENNAMINE HYDROCHLORIDE", "xref": ["InChIKey:FSSICIQKZGUEAE-UHFFFAOYSA-N", "SMILES:CN(C)CCN(Cc1ccccc1)c1ccccn1.Cl"], "synonym": ["Tripelennamine hydrochloride", "Azaron", "Dehistin", "Pyribenzamine", "Tripelennamine hcl", "Vetibenzamina", "NSC-409943", "Pbz-sr", "Tripelennamine hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200550", "category": ["biolink:ChemicalEntity"], "name": "ANTAZOLINE PHOSPHATE", "xref": ["InChIKey:DUIGUKRYYAGJAF-UHFFFAOYSA-N", "SMILES:O=P(O)(O)O.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1"], "synonym": ["Antazoline phosphate", "NSC-755865", "Antazoline phosphate component of vasocon-a"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201190", "category": ["biolink:ChemicalEntity"], "name": "LEVOCETIRIZINE DIHYDROCHLORIDE", "xref": ["InChIKey:PGLIUCLTXOYQMV-GHVWMZMZSA-N", "SMILES:Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1"], "synonym": ["Levocetirizine dihydrochloride", "Levocetirizine hydrochloride", "Cetirizine (r)-form dihydrochloride", "Cetirizine hydrochloride (r)-", "Levocetirizine dihydrochloride", "Levocetirizine hydrochloride", "Levocetirizine monohydrochloride", "NSC-758898", "UCB 28556", "UCB-28556", "Levocetirizine dihydrochloride", "Xusal", "Xyzal", "Xyzal allergy 24hr", "Xyzall", "Levocetirizine dihydrochloride", "Levocetirizine dihydrochloride"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201759", "category": ["biolink:ChemicalEntity"], "name": "BEPOTASTINE BESYLATE", "xref": ["InChIKey:UDGHXQPQKQPSBB-BOXHHOBZSA-N", "SMILES:O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1.O=S(=O)(O)c1ccccc1"], "synonym": ["Bepotastine besilate", "Bepotastine besilate", "Bepotastine benzenesulfonate salt", "Bepotastine besilate", "Bepotastine besylate", "Talion", "BB", "TAU-284", "Bepreve", "Bepotastine besylate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1564", "category": ["biolink:ChemicalEntity"], "name": "DIPHENYLPYRALINE HYDROCHLORIDE", "xref": ["InChIKey:LPRLDRXGWKXRMQ-UHFFFAOYSA-N", "SMILES:CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl"], "synonym": ["Diphenylpyraline hydrochloride", "Diphenylpyraline hydrochloride", "Diaminophen", "Diamiphen", "Diamiphene", "Diaphen", "Diphenylpyraline hcl", "NSC-16338", "NSC-61825", "Hispril", "Histryl", "Histryl paed", "Lergoban"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1633", "category": ["biolink:ChemicalEntity"], "name": "KETOTIFEN FUMARATE", "xref": ["InChIKey:YNQQEYBLVYAWNX-WLHGVMLRSA-N", "SMILES:CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O"], "synonym": ["Ketotifen fumarate", "Ketotifen fumarate", "Ketotifen fumarate", "Ketotifen fumarate", "Ketotifen (as fumarate)", "Ketotifen fumarate", "Ketotifen hydrogen fumarate", "HC 20,511 FUMARATE", "HC-20511 FUMARATE", "NSC-757415", "Acuvue theravision with ketotifen", "Alaway", "Children's alaway", "Ketotifen fumarate", "Zaditen", "Zaditor", "Ketotifen fumarate"], "chembl_prodrug": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL2360580", "category": ["biolink:ChemicalEntity"], "name": "BUCLIZINE HYDROCHLORIDE", "xref": ["InChIKey:SDBHDSZKNVDKNU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1.Cl.Cl"], "synonym": ["Buclizine hydrochloride", "Buclizine hydrochloride", "Buclizine dihydrochloride", "Aphilan", "Buclina", "Buclizine dihydrochloride", "Buclizine hcl", "Buclizine hydrochloride", "Buclodin", "Longifene", "Softran", "NSC-25141", "UCB 4445", "UCB-4445", "Bucladin", "Bucladin-s", "Equivert", "Vibazine", "Buclizine hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200406", "category": ["biolink:ChemicalEntity"], "name": "DIMENHYDRINATE", "xref": ["InChIKey:NFLLKCVHYJRNRH-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O"], "synonym": ["Dimenhydrinate", "Dimenhydrinate", "Dimenhydrinate", "Dimenhydrinate", "Dimenhidrinato", "Dimenhydrinate", "Dimenhydrinate", "NSC-117855", "Antemin", "Dimenhydrinate", "Dramamine", "Vertigo-vomex s"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103739", "category": ["biolink:ChemicalEntity"], "name": "EMEDASTINE DIFUMARATE", "xref": ["InChIKey:FWLKKPKZQYVAFR-LVEZLNDCSA-N", "SMILES:CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O"], "synonym": ["Emedastine difumarate", "Emedastine difumarate", "Emedastine difumarate", "Emedastine difumarate", "Emedastine fumarate", "Ly188695", "Rapimine", "AL-3432A", "KB-2413", "LY-188695", "Emadine", "Emedastine difumarate", "Emedastine difumarate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200959", "category": ["biolink:ChemicalEntity"], "name": "METHDILAZINE", "xref": ["InChIKey:HTMIBDQKFHUPSX-UHFFFAOYSA-N", "SMILES:CN1CCC(CN2c3ccccc3Sc3ccccc32)C1"], "synonym": ["Methdilazine", "Methdilazine", "Methdilazine", "Metdilazina", "Tacaryl"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201089", "category": ["biolink:ChemicalEntity"], "name": "DIPHENHYDRAMINE CITRATE", "xref": ["InChIKey:SPCKHVPPRJWQRZ-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(c1ccccc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Diphenhydramine citrate", "Diphenhydramine citrate"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201023", "category": ["biolink:ChemicalEntity"], "name": "ORPHENADRINE HYDROCHLORIDE", "xref": ["InChIKey:UQZKYYIKWZOKKD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(OCCN(C)C)c1ccccc1.Cl"], "synonym": ["Orphenadrine (chloride)", "Orphenadrine hydrochloride", "Orphenadrine hydrochloride", "Mephenamin", "Orphenadrine hcl", "NSC-82357", "Disipal"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200395", "category": ["biolink:ChemicalEntity"], "name": "ORPHENADRINE CITRATE", "xref": ["InChIKey:MMMNTDFSPSQXJP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Orphenadrine (citrate)", "Orphenadrine citrate", "Orphenadrine citrate", "Orphenadrine dihydrogen citrate", "NSC-757238", "Norflex", "Orphenadrine citrate", "Orphenadrine citrate component of invagesic", "Orphenadrine citrate component of invagesic forte", "Orphenadrine citrate component of norgesic", "Orphenadrine citrate component of orphengesic", "Orphenadrine citrate component of orphengesic forte"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1689", "category": ["biolink:ChemicalEntity"], "name": "TOLAZOLINE HYDROCHLORIDE", "xref": ["InChIKey:RHTNTTODYGNRSP-UHFFFAOYSA-N", "SMILES:Cl.c1ccc(CC2=NCCN2)cc1"], "synonym": ["Tolazoline hydrochloride", "Tolazoline hydrochloride", "Tolazoline hcl", "NSC-757353", "TCMDC-125842", "Benzidazol", "Priscol", "Priscoline"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200948", "category": ["biolink:ChemicalEntity"], "name": "TRIMIPRAMINE MALEATE", "xref": ["InChIKey:YDGHCKHAXOUQOS-BTJKTKAUSA-N", "SMILES:CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)/C=C\\C(=O)O"], "synonym": ["Trimipramine maleate", "Trimipramine maleate", "Trimipramine maleate", "Stangyl", "NSC-758386", "Surmontil", "Trimipramine maleate", "Trimipramine maleate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201581", "category": ["biolink:ChemicalEntity"], "name": "INFLIXIMAB", "synonym": ["Infliximab", "Infliximab", "Infliximab", "Infliximab", "Infliximab", "Infliximab", "Infliximab", "Abp-710", "Avsola", "Bow-015", "Ct p13", "Ct-p-13", "Ct-p13", "Infimab", "Infliximab", "Infliximab (janssen)", "Infliximab (remicade)", "Infliximab abda", "Infliximab axxq", "Infliximab biosimilar (amgen)", "Infliximab biosimilar (celltrion)", "Infliximab biosimilar (pfizer)", "Infliximab biosimilar (sb-2)", "Infliximab dyyb", "Infliximab qbtx", "Infliximab-abda", "Infliximab-axxq", "Infliximab-dyyb", "Infliximab-hjmt", "Infliximab-pfizer", "Infliximab-qbtx", "Ixifi", "Pf-06438179", "Zessly", "Zymfentra", "ABP 710", "BOW015", "CTP-13", "CTP13", "NI-071", "SB 2", "SB-2", "SB2", "TA-650", "Flixabi", "Inflectra", "Remicade", "Remsima", "Zessly", "Infliximab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Tumor necrosis factor", "xref": ["CHEMBL.TARGET:CHEMBL1825"], "id": "UniProtKB:P01375", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201831", "category": ["biolink:ChemicalEntity"], "name": "CERTOLIZUMAB PEGOL", "synonym": ["Certolizumab pegol", "Certolizumab pegol", "Certolizumab pegol", "Certolizumab pegol", "Certolizumab pegol", "Certolizumab pegol", "Certolizumab pegol", "Certolizumab pegol", "Certolizumab pegol", "CDP 870", "CDP-870", "CDP870", "PHA-738144", "Cimzia", "Certolizumab pegol"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201580", "category": ["biolink:ChemicalEntity"], "name": "ADALIMUMAB", "synonym": ["Adalimumab", "Adalimumab", "Adalimumab", "Adalimumab", "Adalimumab", "Adalimumab", "Adalimumab beta", "Adalimumab (genetical recombination)", "Adalimumab", "Abp-501", "Abrilada", "Adalimumab", "Adalimumab (abbvie)", "Adalimumab (humira)", "Adalimumab aacf", "Adalimumab adaz", "Adalimumab adbm", "Adalimumab afzb", "Adalimumab aqvh", "Adalimumab atto", "Adalimumab biosimilar (alvotech)", "Adalimumab biosimilar (amgen)", "Adalimumab biosimilar (avt02)", "Adalimumab biosimilar (celltrion)", "Adalimumab biosimilar (ct-p17)", "Adalimumab biosimilar (fkb-327)", "Adalimumab biosimilar (msb11022)", "Adalimumab biosimilar (mylan)", "Adalimumab biosimilar (pfizer)", "Adalimumab biosimilar (sandoz)", "Adalimumab biosimilar (yusimry)", "Adalimumab biosimilar (zrc-3197)", "Adalimumab bwwd", "Adalimumab fkjp", "Adalimumab-aacf", "Adalimumab-aaty", "Adalimumab-adaz", "Adalimumab-adbm", "Adalimumab-afzb", "Adalimumab-aqvh", "Adalimumab-atto", "Adalimumab-bwwd", "Adalimumab-fkjp", "Adalimumab-ryvk", "Amjevita", "Amsparity", "Avt02", "Bcd-057", "Bi 695501", "Bi-695501", "Chs-1420", "Cyltezo", "Exemptia", "Gp-2017", "Hadlima", "Hulio", "Hyrimoz", "Idacio", "M-923", "Ons-3010", "Pf-06410293", "Simlandi", "Trudexa", "Yuflyma", "Yusimry", "AVT-02", "BI695501", "CT-P17", "CTP17", "D2E7", "D3E7", "FKB-327", "FKB327", "GP2017", "HLX-03", "HLX03", "LU-200134", "LU200134", "M923", "MSB-11022", "MSB11022", "SB-5", "SB5", "ZRC-3197", "ZRC3197", "Amgevita", "Amsparity", "Cyltezo", "Halimatoz", "Hefiya", "Hulio", "Humira", "Idacio", "Imraldi", "Kromeya", "Libmyris", "Solymbic", "Trudexa", "Adalimumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201572", "category": ["biolink:ChemicalEntity"], "name": "ETANERCEPT", "synonym": ["Etanercept", "L04ab01", "Etanercept", "Etanercept", "Etanercept", "Etanercept", "Etanercept", "Chs-0214", "Davictrel", "Dwp-422", "Enia-11", "Erelzi", "Etanercept", "Etanercept (enbrel)", "Etanercept biosimilar ((ylb-113)", "Etanercept biosimilar (gp-2015)", "Etanercept biosimilar (sandoz)", "Etanercept biosimilar (sb-4)", "Etanercept szzs", "Etanercept ykro", "Etanercept-szzs", "Etanercept-ykro", "Eticovo", "Hd-203", "Lbec-0101", "Tunex", "GP-2015", "GP2015", "GP2015C", "HD203", "LBEC0101", "RHU TNFR:FC", "RHU-TNFR:FC", "SB-4", "SB4", "TNFR-IMMUNOADHESIN", "YLB-113", "YLB113", "Benepali", "Enbrel", "Erelzi", "Lifmior", "Nepexto", "Etanercept"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201833", "category": ["biolink:ChemicalEntity"], "name": "GOLIMUMAB", "synonym": ["Golimumab", "Golimumab", "Golimumab", "Golimumab", "Golimumab", "Golimumab", "Golimumab", "CNTO 148", "CNTO-148", "Simponi", "Golimumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL779", "category": ["biolink:ChemicalEntity"], "name": "TADALAFIL", "xref": ["InChIKey:WOXKDUGGOYFFRN-IIBYNOLFSA-N", "SMILES:CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O"], "synonym": ["Tadalafil", "Tadalafil", "Tadalafil", "Tadalafil", "Tadalafil", "Tadalafil", "Tadalafilo", "Tadalafil", "Tadalafil", "Chewtadzy", "Tadalafil", "Tadalafil mylan", "Trans-tadalafil", "IC-351", "IC351", "LY-450190", "LY450190", "NSC-750236", "NSC-759172", "Adcirca", "Adcirca (previously tadalafil lilly)", "Chewtadzy", "Cialis", "Tadalafil component of entadfi", "Tadalafil component of opsynvi", "Tadalafil lilly", "Tadalafil mylan", "Tadliq", "Talmanco (previously tadalafil generics)", "Tadalafil", "Tadalafil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "cGMP-specific 3',5'-cyclic phosphodiesterase", "xref": ["CHEMBL.TARGET:CHEMBL1827"], "id": "UniProtKB:O76074", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1339", "category": ["biolink:ChemicalEntity"], "name": "VARDENAFIL HYDROCHLORIDE", "xref": ["InChIKey:XCMULUAPJXCOHI-UHFFFAOYSA-N", "SMILES:CCCc1nc(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl"], "synonym": ["Vardenafil hydrochloride", "Vardenafil hydrochloride", "Vardenafil hydrochloride hydrate", "Vardenafil hydrochloride anhydrous", "Vardenafil hydrochloride trihydrate", "Nuviva", "Vardenafil hcl", "Vardenafil hydrochloride", "Vardenafil hydrochloride hydrate", "Vardenafil hydrochloride trihydrate", "Vardenafil monohydrochloride", "BAY 38-9456", "BAY-38-9456", "Levitra", "Staxyn", "Vardenafil hydrochloride", "Vivanza", "Vardenafil hydrochloride", "Vardenafil hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1737", "category": ["biolink:ChemicalEntity"], "name": "SILDENAFIL CITRATE", "xref": ["InChIKey:DEIYFTQMQPDXOT-UHFFFAOYSA-N", "SMILES:CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Sildenafil citrate", "Sildenafil citrate", "Sildenafil citrate", "Sildenafil citrate", "Aphrodil", "Liqrev", "Sildenafil (as citrate)", "Sildenafil citrate", "NSC-744009", "NSC-758669", "UK-92,480-10", "UK-92480-10", "Granpidam", "Liqrev", "Mysildecard", "Nipatra", "Patrex", "Revatio", "Sildenafil actavis", "Sildenafil citrate", "Sildenafil ratiopharm", "Sildenafil teva", "Viagra", "Vizarsin", "Sildenafil citrate", "Sildenafil citrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1963681", "category": ["biolink:ChemicalEntity"], "name": "AVANAFIL", "xref": ["InChIKey:WEAJZXNPAWBCOA-INIZCTEOSA-N", "SMILES:COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl"], "synonym": ["Avanafil", "Avanafil", "Avanafil", "Avanafil", "Avanafil", "Avanafilo", "Avanafil", "Avanafil", "TA-1790", "Spedra", "Stendra", "Avanafil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Histone deacetylase 3", "xref": ["CHEMBL.TARGET:CHEMBL1829"], "id": "UniProtKB:O15379", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2359670", "category": ["biolink:ChemicalEntity"], "name": "THIETHYLPERAZINE MALATE", "xref": ["InChIKey:GTHHLZDYRHLACN-UHFFFAOYSA-N", "SMILES:CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)CC(O)C(=O)O.O=C(O)CC(O)C(=O)O"], "synonym": ["Thiethylperazine malate", "Thiethylperazine dimalate", "Thiethylperazine dimalate", "Torecan"], "chembl_availability_type": "discontinued"}
{"name": "D(2) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL217"], "id": "UniProtKB:P14416", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989478", "category": ["biolink:ChemicalEntity"], "name": "THIETHYLPERAZINE MALEATE", "xref": ["InChIKey:RVBRTNPNFYFDMZ-SPIKMXEPSA-N", "SMILES:CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O"], "synonym": ["Thiethylperazine maleate", "Thiethylperazine maleate", "Thietylperazine maleate", "Thiethylperazine dimaleate", "Thiethylperazine dimaleate", "Thiethylperazine maleate", "GS-95", "NSC-130044", "Torecan", "Thiethylperazine maleate", "Thiethylperazine maleate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200951", "category": ["biolink:ChemicalEntity"], "name": "FLUPHENAZINE ENANTHATE", "xref": ["InChIKey:LRWSFOSWNAQHHW-UHFFFAOYSA-N", "SMILES:CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"], "synonym": ["Fluphenazine enantate", "Fluphenazine enanthate", "Fluphenazine enanthate", "Flufenan", "Fluphenazine enantate", "Fluphenazine enanthate", "Fluphenazini enantas", "SQ 16,114", "SQ 16144", "Moditen enant", "Prolixin enanthate"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL567", "category": ["biolink:ChemicalEntity"], "name": "PERPHENAZINE", "xref": ["InChIKey:RGCVKNLCSQQDEP-UHFFFAOYSA-N", "SMILES:OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1"], "synonym": ["Perphenazine", "Perphenazine", "Perphenazine", "Perphenazine", "Perfenazina", "Perphenazine maleate", "Perphenazine", "Perphenazine", "NSC-150866", "Chlorpiprazine", "Decentan", "Fentazin", "Perphenazine", "Perphenazine component of etrafon-a", "Trilafon", "Trilafon-la"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200707", "category": ["biolink:ChemicalEntity"], "name": "BENZQUINAMIDE HYDROCHLORIDE", "xref": ["InChIKey:KZLNXGBVFTWMPS-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O.Cl"], "synonym": ["Benzquinamide hydrochloride", "Benzquinamide hcl", "Emete-con"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL728", "category": ["biolink:ChemicalEntity"], "name": "PROCHLORPERAZINE", "xref": ["InChIKey:WIKYUJGCLQQFNW-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1"], "synonym": ["Prochlorperazine", "Prochlorperazine mesilate", "Prochlorperazine", "Prochlorperazine", "Proclorperazina", "Prochlorperazine", "Prochlorperazine", "Prochlorperazine mesylate", "Compazine", "Compro", "Prochlorperazine", "Stemetil eff"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1448187", "category": ["biolink:ChemicalEntity"], "name": "FLUPHENAZINE HYDROCHLORIDE", "xref": ["InChIKey:MBHNWCYEGXQEIT-UHFFFAOYSA-N", "SMILES:Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"], "synonym": ["Fluphenazine hydrochloride", "Fluphenazine hydrochloride", "Fluphenazine dihydrochloride", "Anatensol", "Dapotum", "Fluphenazine hcl", "Fluphenazine hydrochloride", "Fluphenazini hydrochloridum", "NSC-179197", "SQUIBB 4918", "Fluphenazine hydrochloride", "Moditen", "Permitil", "Prolixin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201087", "category": ["biolink:ChemicalEntity"], "name": "CABERGOLINE", "xref": ["InChIKey:KORNTPPJEAJQIU-KJXAQDMKSA-N", "SMILES:C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21"], "synonym": ["Cabergoline", "Cabergoline", "Cabergoline", "Cabergoline", "Cabergoline", "Cabergoline", "Cabergolina", "Cabergoline", "Cabergoline", "Cabergoline", "Velactis", "FCE 21336", "FCE-21336", "Cabaser", "Cabergoline", "Dostinex", "Velactis", "Cabergoline", "Cabergoline"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1314751", "category": ["biolink:ChemicalEntity"], "name": "PROCHLORPERAZINE MALEATE", "xref": ["InChIKey:DSKIOWHQLUWFLG-SPIKMXEPSA-N", "SMILES:CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O"], "synonym": ["Prochlorperazine maleate", "Prochlorperazine maleate", "Prochlorperazine dimaleate", "Prochlorperazine dimaleate", "Prochlorperazine maleate", "Buccastem", "Buccastem m", "Compazine", "Prochlorperazine maleate", "Procomp", "Proziere", "Vertigon"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200854", "category": ["biolink:ChemicalEntity"], "name": "FLUPHENAZINE DECANOATE", "xref": ["InChIKey:VIQCGTZFEYDQMR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"], "synonym": ["Fluphenazine decanoate", "Fluphenazine decanoate", "Fluphenazine decanoate", "Dapotum d", "Fluphenazine decanoate", "Fluphenazini decanoas", "Lyogen", "Moditen depot", "NSC-169510", "QD-10733", "SQ-10733", "Decazate", "Depot", "Fluphenazine decanoate", "Modecate", "Modecate conc", "Prolixin decanoate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2360079", "category": ["biolink:ChemicalEntity"], "name": "ACETOPHENAZINE MALEATE", "xref": ["InChIKey:NUKVZKPNSKJGBK-SPIKMXEPSA-N", "SMILES:CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O"], "synonym": ["Acetophenazine maleate", "Acetophenazine dimaleate", "Acephenazine dimaleate", "Acetophenazine dimaleate", "NSC-169180", "NSC-70600", "SCH 6673", "SCH-6673", "Tindal", "Acetophenazine maleate", "Acetophenazine maleate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL908", "category": ["biolink:ChemicalEntity"], "name": "CHLORPROTHIXENE", "xref": ["InChIKey:WSPOMRSOLSGNFJ-AUWJEWJLSA-N", "SMILES:CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21"], "synonym": ["Chlorprothixene", "Chlorprothixene", "Chlorprothixene", "Chlorprothixene", "Chlorprothixene", "Clorprotixeno", "Chlorprothixene", "Chlorprothixene", "Chlorprothixene", "N-714", "N-714RO 4-0403", "NSC-18720", "RO 4-0403", "RO-4-0403", "RO-40403", "Taractan", "Truxal", "Chlorprothixene", "Chlorprothixene"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201102", "category": ["biolink:ChemicalEntity"], "name": "TRIFLUPROMAZINE HYDROCHLORIDE", "xref": ["InChIKey:FTNWXGFYRHWUKG-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl"], "synonym": ["Triflupromazine hydrochloride", "Triflupromazine hcl", "MC-4703", "NSC-14959", "NSC-17473", "Vesprin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544974", "category": ["biolink:ChemicalEntity"], "name": "ASENAPINE MALEATE", "xref": ["InChIKey:GMDCDXMAFMEDAG-BTJKTKAUSA-N", "SMILES:CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Asenapine (as maleate)", "Asenapine maleate", "Asenapine maleate", "Asenapine maleate", "Asenapine maleate", "Asenapine (as maleate)", "Asenapine maleate", "ORG 5222", "ORG-5222", "Saphris", "Sycrest", "Asenapine maleate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1112", "category": ["biolink:ChemicalEntity"], "name": "ARIPIPRAZOLE", "xref": ["InChIKey:CEUORZQYGODEFX-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1"], "synonym": ["Aripiprazole", "Aripiprazole", "Aripiprazole", "Aripiprazole", "Aripiprazole", "Aripiprazole", "Aripiprazol", "Aripiprazole", "Aripiprazole", "Abilify mycite", "Aripiprazole", "Aripiprex", "NSC-759266", "OPC-14597", "OPC-31", "Abilify", "Abilify asimtufii", "Abilify maintena", "Abilify maintena kit", "Abilify mycite kit", "Aripiprazole", "Aripiprazole accord", "Aripiprazole mylan pharma (previously aripiprazole pharmathen)", "Aripiprazole sandoz", "Aripiprazole zentiva", "Opipza", "Aripiprazole", "Aripiprazole"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107360", "category": ["biolink:ChemicalEntity"], "name": "PALIPERIDONE PALMITATE", "xref": ["InChIKey:VOMKSBFLAZZBOW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O"], "synonym": ["Paliperidone palmitate", "Paliperidone palmitate", "Paliperidone palmitate", "Paliperidone palmitate", "Paliperidone palmitate", "Palperidone palmitate", "JNS-010", "JNS010", "R-092670", "R092670", "RO-92670", "RO92670", "Byannli (previously paliperidone janssen-cilag international)", "Erzofri", "Invega sustenna", "Invega trinza", "Niapelf", "Paliperidone janssen", "Trevicta (previously paliperidone janssen)", "Xeplion", "Paliperidone palmitate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL14376", "category": ["biolink:ChemicalEntity"], "name": "ILOPERIDONE", "xref": ["InChIKey:XMXHEBAFVSFQEX-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1"], "synonym": ["Iloperidone", "Iloperidone", "Iloperidone", "Iloperidone", "Iloperidona", "Iloperidone", "Iloperidone", "HP 873", "HP-873", "Fanapt", "Iloperidone", "Iloperidone", "Iloperidone"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201052", "category": ["biolink:ChemicalEntity"], "name": "MESORIDAZINE BESYLATE", "xref": ["InChIKey:CRJHBCPQHRVYBS-UHFFFAOYSA-N", "SMILES:CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21.O=S(=O)(O)c1ccccc1"], "synonym": ["Mesoridazine besylate", "Mesoridazine benzenesulfonate", "Mesoridazine benzenesulfonate", "Mesoridazine besilate", "NSC-760073", "Serentil"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200940", "category": ["biolink:ChemicalEntity"], "name": "METOCLOPRAMIDE HYDROCHLORIDE", "xref": ["InChIKey:KJBLQGHJOCAOJP-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl.O"], "synonym": ["Metoclopramide hydrochloride", "Metoclopramide hydrochloride", "Metoclopramide hydrochloride", "Metoclopramide monohydrochloride monohydrate", "Metipamid", "Metoclopramide dihydrochloride monohydrate", "Metoclopramide hcl monohydrate", "Metoclopramide hydrochloride", "Metoclopramide hydrochloride monohydrate", "Metoclopramidi hydrochloridum", "AHR-3070-C", "NSC-757117", "\"clopra-\"\"yellow\"\"\"", "Clopra", "Gastrese l.a.", "Gastrobid continus", "Gastroflux", "Gastromax", "Gimoti", "Maxolon", "Maxolon sr", "Metoclomex", "Metoclopramide hydrochloride", "Metoclopramide intensol", "Metox", "Metozolv odt", "Metramid", "Mygdalon", "Parmid", "Primperan", "Reglan", "Reglan odt", "Metoclopramide hydrochloride", "Metoclopramide hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200419", "category": ["biolink:ChemicalEntity"], "name": "MOLINDONE HYDROCHLORIDE", "xref": ["InChIKey:GQWNECFJGBQMBO-UHFFFAOYSA-N", "SMILES:CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2.Cl"], "synonym": ["Molindone hydrochloride", "Molindone hcl", "Molindone hydrochloride", "EN-1733A", "Moban", "Molindone hydrochloride", "Molindone hydrochloride", "Molindone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1621", "category": ["biolink:ChemicalEntity"], "name": "PALIPERIDONE", "xref": ["InChIKey:PMXMIIMHBWHSKN-UHFFFAOYSA-N", "SMILES:Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O"], "synonym": ["Paliperidone", "Paliperidone", "Paliperidone", "Paliperidone", "Paliperidone", "Paliperidona", "Paliperidone", "Paliperidone", "9-hydroxyrisperidone", "Paliperidone", "NSC-759623", "R-76477", "RO-76477", "RO76477", "Invega", "Paliperidone", "Paliperidone", "Paliperidone", "Risperidone impurity, 9-hydroxyrisperidone-"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201", "category": ["biolink:ChemicalEntity"], "name": "THIOTHIXENE", "xref": ["InChIKey:GFBKORZTTCHDGY-UWVJOHFNSA-N", "SMILES:CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1"], "synonym": ["Tiotixene", "Tiotixene", "Tiotixene", "Tiotixene", "Thiothixene", "Tiotixene", "Tiotixeno", "Tiotixene", "Thiothixene cis-isomer", "(z)-thiothixene", "Cis-thiothixene", "Thiothixene", "CP-12252-1", "NSC-108165", "P-4657 B", "P-4657B", "Navane", "Orbinamon", "Thiothixene", "Thiothixene", "Thiothixene"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989824", "category": ["biolink:ChemicalEntity"], "name": "THIOTHIXENE HYDROCHLORIDE", "xref": ["InChIKey:MEUAAEMCZUPORO-LRSHZYOCSA-N", "SMILES:CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.Cl.Cl.O.O"], "synonym": ["Thiothixene hydrochloride", "Thiothixene dihydrochloride", "Thiothixene hcl h20", "Thiothixene hydrochloride", "Tiotixene hydrochloride", "CP-12,252-1", "CP-122521", "Navane", "Thiothixene hydrochloride", "Thiothixene hydrochloride intensol", "Thiothixene hydrochloride", "Thiothixene hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL570", "category": ["biolink:ChemicalEntity"], "name": "TRIFLUPROMAZINE", "xref": ["InChIKey:XSCGXQMFQXDFCW-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21"], "synonym": ["Triflupromazine", "Triflupromazine", "Triflupromazine", "Triflupromazina", "Nivoman", "Vesprin", "Vetame"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594248", "category": ["biolink:ChemicalEntity"], "name": "CALCITONIN HUMAN", "xref": ["InChIKey:LDVRMNJZLWXJPL-JKQNMTHDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C"], "synonym": ["Calcitonin (human synthetic)", "Calcitonin human", "Calcitonin, human synthetic", "Calcitonin, human", "BA-47175", "Cibacalcin"], "chembl_availability_type": "discontinued"}
{"name": "Calcitonin receptor", "xref": ["CHEMBL.TARGET:CHEMBL1832"], "id": "UniProtKB:P30988", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989767", "category": ["biolink:ChemicalEntity"], "name": "CALCITONIN SALMON", "xref": ["InChIKey:BBBFJLBPOGFECG-VJVYQDLKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"], "synonym": ["Calcitonin (salmon synthetic)", "Calcitonin salmon", "Recombinant salmon calcitonin", "Calcitonin salmon", "Calcitonin salmon recombinant", "Scalcitonin", "Calcitonin salmon", "Calcitonin salmon recombinant", "Calcimar", "Calcitonin-salmon", "Forcaltonin", "Fortical", "Miacalcin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103795", "category": ["biolink:ChemicalEntity"], "name": "AZILSARTAN KAMEDOXOMIL", "xref": ["InChIKey:IHWFKDWIUSZLCJ-UHFFFAOYSA-M", "SMILES:CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[n-]2)cc1.[K+]"], "synonym": ["Azilsartan kamedoxomil", "Azilsartan kamedoxomil", "Azilsartan kamedoxomil", "Azilsartan kamedoxomil", "Azilsartan medoxomil potassium", "TAK-491", "Azilsartan kamedoxomil component of edarbyclor", "Edarbi", "Ipreziv", "Azilsartan kamedoxomil"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Type-1 angiotensin II receptor", "xref": ["CHEMBL.TARGET:CHEMBL227"], "id": "UniProtKB:P30556", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL995", "category": ["biolink:ChemicalEntity"], "name": "LOSARTAN POTASSIUM", "xref": ["InChIKey:OXCMYAYHXIHQOA-UHFFFAOYSA-N", "SMILES:CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1.[K+]"], "synonym": ["Losartan potassium", "Losartan potassium", "Losartan potassium", "Losartan monopotassium salt", "Aradois", "Losacar", "Losartan potassium", "Losata", "Nu-lotan", "Presartan-50", "Tancin", "Zaart", "DU PONT-753", "DUP 753", "DUP-753", "DUP753", "E-3340", "L-158086", "MK-0954", "MK0954", "Cozaar", "Losaprex", "Losartan potassium", "Losartan potassium component of hyzaar", "Losartan potassium", "Losartan potassium"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1513", "category": ["biolink:ChemicalEntity"], "name": "IRBESARTAN", "xref": ["InChIKey:YOSHYTLCDANDAN-UHFFFAOYSA-N", "SMILES:CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"], "synonym": ["Irbesartan", "Irbesartan", "Irbesartan", "Irbesartan", "Irbesartan", "Irbesartan", "Irbesartan", "Irbesartan", "Irbesartan", "Irbesartan bms", "Irbesartan teva", "Irbesartan zentiva", "Sarbevel", "BMS-186295", "NSC-758696", "SR 47436", "SR-47436", "Aprovel", "Avapro", "Ifirmasta", "Irbesartan", "Irbesartan bms", "Irbesartan component of avalide", "Irbesartan component of coaprovel", "Irbesartan component of ibersartan/hydrochlorothiazide  ibersartan", "Irbesartan component of ibersartan/hydrochlorothiazide teva  ibersartan", "Irbesartan component of ibersartan/hydrochlorothiazide zentiva  ibersartan", "Irbesartan component of ifirmacombi", "Irbesartan teva", "Irbesartan zentiva (previously irbesartan winthrop)", "Karvea", "Sabervel", "Irbesartan", "Irbesartan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1069", "category": ["biolink:ChemicalEntity"], "name": "VALSARTAN", "xref": ["InChIKey:ACWBQPMHZXGDFX-QFIPXVFZSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C"], "synonym": ["Valsartan", "Valsartan", "Valsartan", "Valsartan", "Valsartan", "Valsartan", "Valsartan", "Valsartan", "CGP 48933", "CGP-48933", "NSC-758927", "Diovan", "Prexxartan", "Valsartan", "Valsartan component of agsav301", "Valsartan component of byvalson", "Valsartan component of copalia", "Valsartan component of copalia-hct", "Valsartan component of dafiro", "Valsartan component of dafiro-hct", "Valsartan component of diovan hct", "Valsartan component of entresto", "Valsartan component of exforge", "Valsartan component of exforge hct", "Valsartan component of imprida", "Valsartan component of imprida-hct", "Valsartan component of valturna", "Valsartan", "Valsartan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200670", "category": ["biolink:ChemicalEntity"], "name": "SARALASIN ACETATE", "xref": ["InChIKey:YBZYNINTWCLDQA-UHKVWXOHSA-N", "SMILES:CC(=O)O.CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C.O"], "synonym": ["Saralasin acetate", "Saralasin hydrated acetate", "Saralasin acetate", "Saralasin hydrated acetate", "P-113", "Sarenin", "Saralasin acetate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200692", "category": ["biolink:ChemicalEntity"], "name": "OLMESARTAN MEDOXOMIL", "xref": ["InChIKey:UQGKUQLKSCSZGY-UHFFFAOYSA-N", "SMILES:CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"], "synonym": ["Olmesartan medoxomil", "Olmesartan medoxomil", "Olmesartan medoxomil", "Olmesartan medoxomil", "Olmesartan medoxomil", "Olmesartan medoxomilo", "Olmesartan medoxomil", "Olmesartan medoxomil", "CS-866", "NSC-758924", "Benicar", "Olmesartan medoxomil", "Olmesartan medoxomil component of azor", "Olmesartan medoxomil component of benicar hct", "Olmesartan medoxomil component of tribenzor", "Olmetec", "Olmesartan medoxomil", "Olmesartan medoxomil"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1014", "category": ["biolink:ChemicalEntity"], "name": "CANDESARTAN CILEXETIL", "xref": ["InChIKey:GHOSNRCGJFBJIB-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"], "synonym": ["Candesartan cilexetil", "Candesartan cilexetil", "Candesartan cilexetil", "Candesartan 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester", "Candesartan cilexetil", "NSC-758697", "TCV-116", "Amias", "Atacand", "Candesartan cilexetil", "Ratacand", "Candesartan cilexetil", "Candesartan cilexetil"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200987", "category": ["biolink:ChemicalEntity"], "name": "EPROSARTAN MESYLATE", "xref": ["InChIKey:DJSLTDBPKHORNY-XMMWENQYSA-N", "SMILES:CCCCc1ncc(/C=C(\\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O"], "synonym": ["Eprosartan mesylate", "Eprosartan mesylate", "Eprosartan monomethanesulfonate", "Eprosartan mesilate", "Eprosartan mesylate", "SK&F 108566-J", "SK&F-108566-J", "Eprosartan mesylate", "Eprosartan mesylate component of teveten hct", "Teveten", "Eprosartan mesylate", "Eprosartan mesylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1017", "category": ["biolink:ChemicalEntity"], "name": "TELMISARTAN", "xref": ["InChIKey:RMMXLENWKUUMAY-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"], "synonym": ["Telmisartan", "Telmisartan", "Telmisartan", "Telmisartan", "Telmisartan", "Telmisartan", "Telmisartan", "Telmisartan", "Bibr-277se", "Kinzalmono", "Pritor", "Semintra", "Telmisartan", "Telmisartan actavis", "Telmisartan teva", "BIBR 277 SE", "BIBR-277", "BIBR-277 SE", "BIBR-277-SE", "C09CA07", "Kinzalmono (previously telmisartan boehringer ingelheim pharma kg)", "Micardis", "Pritor", "Semintra", "Telmisartan", "Telmisartan actavis", "Telmisartan component of kinzalkomb", "Telmisartan component of micardis hct", "Telmisartan component of micardisplus", "Telmisartan component of onduarp", "Telmisartan component of pritorplus", "Telmisartan component of tolucombi", "Telmisartan component of twynsta", "Telmisartan teva", "Telmisartan teva pharma", "Tolura", "Telmisartan", "Telmisartan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200843", "category": ["biolink:ChemicalEntity"], "name": "METHYLERGONOVINE MALEATE", "xref": ["InChIKey:NOFOWWRHEPHDCY-DAUURJMHSA-N", "SMILES:CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Methylergonovine maleate", "Methylergonovine maleate", "Methylergometrine maleate", "Methylergonovine maleate", "NSC-757104", "Methergine", "Methylergonovine maleate"], "chembl_availability_type": "prescription only"}
{"name": "5-hydroxytryptamine receptor 2B", "xref": ["CHEMBL.TARGET:CHEMBL1833"], "id": "UniProtKB:P41595", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200938", "category": ["biolink:ChemicalEntity"], "name": "METHYSERGIDE MALEATE", "xref": ["InChIKey:LWYXFDXUMVEZKS-ZVFOLQIPSA-N", "SMILES:CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Methysergide maleate", "Methysergide hydrogen maleate", "NSC-759143", "Sansert"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201589", "category": ["biolink:ChemicalEntity"], "name": "OMALIZUMAB", "synonym": ["Omalizumab", "Omalizumab", "Omalizumab", "Omalizumab", "Omalizumab", "Omalizumab", "Omalizumab", "Ct-p39", "Gbr-310", "Hs632", "Omalizumab", "Omalizumab biosimilar (ct-p39)", "Omalizumab biosimilar - synermore", "Syn008", "CT-P39", "CTP-39", "CTP39", "GBR 310", "IGE25", "OLIZUMAB", "RG-3648", "RHUMAB-E25", "SYN-008", "Omlyclo", "Xolair", "Omalizumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Immunoglobulin heavy constant epsilon", "xref": ["CHEMBL.TARGET:CHEMBL1834"], "id": "UniProtKB:P01854", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1515", "category": ["biolink:ChemicalEntity"], "name": "METHIMAZOLE", "xref": ["InChIKey:PMRYVIKBURPHAH-UHFFFAOYSA-N", "SMILES:Cn1ccnc1S"], "synonym": ["Thiamazole", "Thiamazole", "Methimazole", "Thiamazole", "Thiamazol", "Tiamazol", "Methimazole", "Mercaptizole", "Methimazole", "Thiamazole", "NSC-38608", "Favistan", "Methimazole", "Tapazole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Thyroid peroxidase", "xref": ["CHEMBL.TARGET:CHEMBL1839"], "id": "UniProtKB:P07202", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1518", "category": ["biolink:ChemicalEntity"], "name": "PROPYLTHIOURACIL", "xref": ["InChIKey:KNAHARQHSZJURB-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)[nH]c(=S)[nH]1"], "synonym": ["Propylthiouracil", "Propylthiouracil", "Propylthiouracil", "Propylthiouracil", "Propylthiouracile", "Propiltiouracilo", "Propylthiouracil", "Propylthiouracil", "Thyreostat ii", "NSC-6498", "NSC-70461", "Propacil", "Propylthiouracil", "Prothyran"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201506", "category": ["biolink:ChemicalEntity"], "name": "GEMTUZUMAB OZOGAMICIN", "synonym": ["Gemtuzumab ozogamicin", "Gemtuzumab ozogamicin", "Gemtuzumab ozogamicin", "Gemtuzumab ozogamicine", "Gemtuzumab ozogamicina", "Gemtuzumab ozogamicin (genetical recombination)", "Gemtuzumab ozogamicin", "Gemtuzumab ozogamicin", "Gemtuzumab ozogamicin recombinant", "CDP-771", "CMA-676", "CMC-676", "L01XC05", "WAY-CMA-676", "Mylotarg", "Gemtuzumab ozogamicin"], "chembl_black_box_warning": "True", "chembl_availability_type": "withdrawn"}
{"name": "Myeloid cell surface antigen CD33", "xref": ["CHEMBL.TARGET:CHEMBL1842"], "id": "UniProtKB:P20138", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200748", "category": ["biolink:ChemicalEntity"], "name": "CARBIDOPA", "xref": ["InChIKey:QTAOMKOIBXZKND-PPHPATTJSA-N", "SMILES:C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O.O"], "synonym": ["Carbidopa", "Carbidopa", "Carbidopa", "Carbidopa", "Carbidopa", "Carbidopa hydrate", "Carbidopa", "Carbidopa", "Carbidopa component of carbilev", "Carbidopa component of parcopa", "Carbidopa component of sinemet", "Carbidopa monohydrate", "Carbidopum monohydrate", "MK-486", "NSC-751137", "NSC-758190", "Carbidopa", "Carbidopa component of corbilta", "Carbidopa component of crexont", "Carbidopa component of dhivy", "Carbidopa component of dopasnap", "Carbidopa component of duopa", "Carbidopa component of ipx-203", "Carbidopa component of levodopa//entacapone orion", "Carbidopa component of rytary", "Carbidopa component of sinemet", "Carbidopa component of stalevo", "Lodosyn", "Carbidopa", "Carbidopa"], "chembl_availability_type": "prescription only"}
{"name": "Aromatic-L-amino-acid decarboxylase", "xref": ["CHEMBL.TARGET:CHEMBL1843"], "id": "UniProtKB:P20711", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201733", "category": ["biolink:ChemicalEntity"], "name": "PAZOPANIB HYDROCHLORIDE", "xref": ["InChIKey:MQHIQUBXFFAOMK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl"], "synonym": ["Pazopanib hydrochloride", "Pazopanib hydrochloride", "Pazopanib hydrochloride", "Pazopanib hydrochloride", "Pazopanib (as hydrochloride)", "Pazopanib hcl", "Pazopanib hydrochloride", "Pazopanib monohydrochloride", "GW-786034B", "GW786034B", "Votrient", "Pazopanib hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Macrophage colony-stimulating factor 1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL1844"], "id": "UniProtKB:P07333", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1567", "category": ["biolink:ChemicalEntity"], "name": "SUNITINIB MALATE", "xref": ["InChIKey:LBWFXVZLPYTWQI-IPOVEDGCSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C.O=C(O)C[C@H](O)C(=O)O"], "synonym": ["Sunitinib malate", "Sunitinib malate", "Sunitinib malate", "Sunitinib malate", "Sunitinib l-malate", "Sunitinib malate", "PHA-290940AD", "SU-010398", "SU-011248 L-MALATE SALT", "SU010398", "SU011248 L-MALATE SALT", "Sunitinib malate", "Sutent", "Sunitinib malate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201535", "category": ["biolink:ChemicalEntity"], "name": "PHENYLPROPANOLAMINE POLISTIREX", "synonym": ["Phenylpropanolamine polistirex"], "chembl_availability_type": "withdrawn"}
{"name": "Alpha-1A adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL229"], "id": "UniProtKB:P35348", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24778", "category": ["biolink:ChemicalEntity"], "name": "SILODOSIN", "xref": ["InChIKey:PNCPYILNMDWPEY-QGZVFWFLSA-N", "SMILES:C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F"], "synonym": ["Silodosin", "Silodosin", "Silodosin", "Silodosin", "Silodosine", "Silodosina", "Silodosin", "Silodosin", "Kso-0400", "Rapilif", "Silodal", "Silodosin", "Silodyx", "Urief", "Urorec", "KAD-3213", "KMD-3213", "Rapaflo", "Silodosin recordati", "Silodyx", "Urorec"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201044", "category": ["biolink:ChemicalEntity"], "name": "DAPIPRAZOLE HYDROCHLORIDE", "xref": ["InChIKey:ZIODNPFQZIHCOE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1.Cl"], "synonym": ["Dapiprazole hydrochloride", "Dapiprazole monohydrochloride", "Dapiprazole hcl", "Dapiprazole hydrochloride", "Dapiprazole monohydrochloride", "AF 2139", "AF-2139", "Dapiprazole hydrochloride", "Rev-eyes", "Dapiprazole hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200695", "category": ["biolink:ChemicalEntity"], "name": "PHENYLPROPANOLAMINE HYDROCHLORIDE", "xref": ["InChIKey:DYWNLSQWJMTVGJ-UHFFFAOYSA-N", "SMILES:CC(N)C(O)c1ccccc1.Cl"], "synonym": ["Phenylpropanolamine hydrochloride", "Phenylpropanolamine hydrochloride", "Phenylpropanolamine hydrochloride", "Phenylpropanolamine hydrochloride", "Phenylpropanolamine hcl", "Phenylpropanolamine hydrochloride", "Propadrine hydrochloride", "NSC-23798", "Dexatrim", "Dimotapp", "Dimotapp l.a.", "Eskornade", "Phenylpropanolamine hydrochloride component of biphetap", "Phenylpropanolamine hydrochloride component of bromanate", "Phenylpropanolamine hydrochloride component of bromanate dc", "Phenylpropanolamine hydrochloride component of bromatapp", "Phenylpropanolamine hydrochloride component of codamine", "Phenylpropanolamine hydrochloride component of contac", "Phenylpropanolamine hydrochloride component of demazin", "Phenylpropanolamine hydrochloride component of dimetane-dc", "Phenylpropanolamine hydrochloride component of dimetapp", "Phenylpropanolamine hydrochloride component of drize", "Phenylpropanolamine hydrochloride component of hycomine", "Phenylpropanolamine hydrochloride component of myphetane dc", "Phenylpropanolamine hydrochloride component of ornade", "Phenylpropanolamine hydrochloride component of tavist-d", "Phenylpropanolamine hydrochloride component of triaminic", "Procol", "Propagest", "Sine-off", "Triogesic", "Triominic"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201827", "category": ["biolink:ChemicalEntity"], "name": "PANITUMUMAB", "synonym": ["L01xc08", "Panitumumab", "Panitumumab", "Panitumumab", "Panitumumab", "Panitumumab", "Panitumumab", "Panitumumab", "Abenix", "Panitumumab", "ABX-EGF", "E7.6.3", "Vectibix", "Panitumumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Epidermal growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL203"], "id": "UniProtKB:P00533", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201577", "category": ["biolink:ChemicalEntity"], "name": "CETUXIMAB", "synonym": ["Cetuximab", "Cetuximab", "Cetuximab", "Cetuximab", "Cetuximab", "Cetuximab (genetical recombination)", "Cetuximab", "Cetuximab", "Cetuximab biosimilar (abp-494)", "ABP-494", "C-225", "C225", "CMAB-009", "CMAB009", "IMC-225", "IMC-C225", "MOAB C225", "Erbitux", "Cetuximab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1079742", "category": ["biolink:ChemicalEntity"], "name": "ERLOTINIB HYDROCHLORIDE", "xref": ["InChIKey:GTTBEUCJPZQMDZ-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl"], "synonym": ["Erlotinib hydrochloride", "Erlotinib hydrochloride", "Erlotinib hydrochloride", "Erlotinib hydrochloride", "Erlotinib hydrochloride", "Erlotinib hcl", "Erlotinib hydrochloride", "CP-358", "CP-358,774-01", "CP-358774-01", "OSI-774", "Erlotinib hydrochloride", "Tarceva", "Erlotinib hydrochloride", "Erlotinib hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL939", "category": ["biolink:ChemicalEntity"], "name": "GEFITINIB", "xref": ["InChIKey:XGALLCVXEZPNRQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1"], "synonym": ["Gefitinib", "Gefitinib", "Gefitinib", "Gefitinib", "Gefitinib", "Gefitinib", "Gefitinib", "Gefitinib", "Gefitinib", "NSC-759856", "ZD-1839", "ZD1839", "Gefitinib mylan", "Iressa", "Gefitinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1009", "category": ["biolink:ChemicalEntity"], "name": "LEVODOPA", "xref": ["InChIKey:WTDRDQBEARUVNC-LURJTMIESA-N", "SMILES:N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O"], "synonym": ["Levodopa", "Levodopa", "Levodopa", "Levodopa", "Levodopa", "Levodopa", "Levodopa", "Levodopa", "Cvt-301", "Levodopa", "Levodopa component of carbilev", "Levodopa component of parcopa", "Levodopa component of sinemet", "Levodopum", "NSC-118381", "V-1512", "Bendopa", "Brocadopa", "Dopar", "Inbrija", "Larodopa", "Levodopa component of /carbidopa/entacapone orion", "Levodopa component of corbilta", "Levodopa component of crexont", "Levodopa component of dhivy", "Levodopa component of dopasnap", "Levodopa component of duopa", "Levodopa component of ipx-203", "Levodopa component of ipx203", "Levodopa component of rytary", "Levodopa component of sinemet", "Levodopa component of stalevo", "Levodopa", "Levodopa"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "D(3) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL234"], "id": "UniProtKB:P35462", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL928", "category": ["biolink:ChemicalEntity"], "name": "DANTROLENE SODIUM", "xref": ["InChIKey:KSRLIXGNPXAZHD-HAZZGOGXSA-M", "SMILES:O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+]"], "synonym": ["Dantrolene sodium", "Dantrolene sodium", "Dantrolene sodium", "Dantrolene sodium", "Dantrolene sodium", "Dantrolene sodium hydrate", "Dantrolene sodium salt hemiheptahydrate", "Dantamacrin", "Dantrolen", "Dantrolene sodium", "Dantrolene sodium hemiheptahydrate", "Dantrolene sodium heptahydrate", "Dantrolene sodium hydrate", "F-440", "NSC-758403", "Agilus", "Dantrium", "Dantrolene sodium", "Revonto", "Ryanodex", "Dantrolene sodium", "Dantrolene sodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Ryanodine receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1846"], "id": "UniProtKB:P21817", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64", "category": ["biolink:ChemicalEntity"], "name": "ISONIAZID", "xref": ["InChIKey:QRXWMOHMRWLFEY-UHFFFAOYSA-N", "SMILES:NNC(=O)c1ccncc1"], "synonym": ["Isoniazid", "Isoniazid", "Isoniazid", "Isoniazid", "Isoniazide", "Isoniazida", "Isoniazid", "Armazid", "Armazide", "Atcotibine", "Cedin", "Cotinazin", "Dianicotyl", "Eralon", "Ertuban", "Hidrasonil", "Hydrazid", "Ipcazide", "Iscotin", "Isidrina", "Isobicina", "Isoniazid", "Isoniazidum", "Isonicotan", "Mybasan", "Neumandin", "Teebaconin", "Tisiodrazida", "NSC-9659", "Dow-isoniazid", "Hyzyd", "Inh", "Isoniazid", "Isoniazid component of rifamate", "Isoniazid component of rifater", "Laniazid", "Nicotibine", "Nydrazid", "Rimifon", "Stanozide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Enoyl-[acyl-carrier-protein] reductase [NADH]", "xref": ["CHEMBL.TARGET:CHEMBL1849"], "id": "UniProtKB:P9WGR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1441", "category": ["biolink:ChemicalEntity"], "name": "ETHIONAMIDE", "xref": ["InChIKey:AEOCXXJPGCBFJA-UHFFFAOYSA-N", "SMILES:CCc1cc(C(N)=S)ccn1"], "synonym": ["Ethionamide", "Ethionamide", "Ethionamide", "Ethionamide", "Ethionamide", "Etionamida", "Ethionamide", "Ethionamide", "Ethionamide", "Ethionamidum", "Nizotin", "1314 TH", "1314-TH", "BAYER 5312", "NSC-255115", "Trecator", "Trecator-sc", "Ethionamide", "Ethionamide"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201419", "category": ["biolink:ChemicalEntity"], "name": "LUTROPIN ALFA", "synonym": ["Lutropin alfa", "Lutropin alfa", "Lutropin alfa", "Lutropin alfa", "Lutropin alfa", "Lutropine alfa", "Lutropina alfa", "Lutropin alfa", "Luteinising hormone", "Luteinising hormone (human)", "Lutropin alfa", "ATC G03 GA GONADOTROPINS", "Lutropin alfa component of pergoveris", "Luveris", "Lutropin alfa"], "chembl_availability_type": "discontinued"}
{"name": "Lutropin-choriogonadotropic hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL1854"], "id": "UniProtKB:P22888", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201464", "category": ["biolink:ChemicalEntity"], "name": "CHORIOGONADOTROPIN ALFA", "synonym": ["Choriogonadotropin alfa", "Choriogonadotropin alfa", "Chorionic gonadotrophin alfa", "Choriogonadotropin alfa", "Choriogonadotropin alfa", "Choriogonadotropine alfa", "Coriogonadotropina alfa", "Choriogonadotropin alfa", "Choriogonadotropin alfa", "Choriogonadotropin alfa", "Choriogonadotropin alpha", "Choriongonadotropin alfa", "Fe-999302", "ATC CODE G03 GA GONADOTROPINS", "Ovidrel", "Ovitrelle", "Choriogonadotropin alfa"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201509", "category": ["biolink:ChemicalEntity"], "name": "GONADOTROPIN, CHORIONIC", "synonym": ["Chorionic gonadotrophin", "Chorionic gonadotrophin", "Chorionic gonadotropin", "Choriogonadotropin beta", "Chorionic gonadotrophin", "Choriogonadotropine beta", "Gonadotrophine chorionique", "Coriogonadotropina beta", "Gonadotrofina corionica", "Gonadotropin, chorionic", "Choragon", "Equine chorionic gonadotropin", "Gonadotraphon lh", "Pregnyl", "Profasi", "Profast", "Progestyl"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201697", "category": ["biolink:ChemicalEntity"], "name": "LH (MENOTROPINS)", "synonym": ["Human lh", "Lh (menotropins)"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103735", "category": ["biolink:ChemicalEntity"], "name": "CETRORELIX ACETATE", "xref": ["InChIKey:KFEFLCOCAHJBEA-ANRVCLKPSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O"], "synonym": ["Cetrorelix (as acetate)", "Cetrorelix acetate", "Cetrorelix", "Cetrorelix acetate", "Cetrorelix acetate", "Cetrorelix acetate", "Cetrorelix acetate", "Cetrotide acetate", "D-20761", "NS-75A", "SB-075 ACETATE", "Cetrotide", "Cetrorelix acetate"], "chembl_availability_type": "prescription only"}
{"name": "Gonadotropin-releasing hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL1855"], "id": "UniProtKB:P30968", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200671", "category": ["biolink:ChemicalEntity"], "name": "NAFARELIN ACETATE", "xref": ["InChIKey:FUCZIEGYURIPAY-CFWZQLQRSA-N", "SMILES:CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O"], "synonym": ["Nafarelin acetate", "Nafarelin acetate", "Nafarelin acetate", "Nafarelin acetate anhydrous", "Nafarelin acetate hydrate", "Nafarelin acetate", "Nasanyl", "RS-94991", "RS-94991-298", "Synarel", "Nafarelin acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200511", "category": ["biolink:ChemicalEntity"], "name": "GONADORELIN ACETATE", "xref": ["InChIKey:NGCGMRBZPXEPOZ-HBBGHHHDSA-N", "SMILES:CC(=O)O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O"], "synonym": ["Gonadorelin acetate", "Gonadorelin acetate", "Gonadorelin diacetate", "Gonadorelin acetate anhydrous", "Gonadorelin acetate mixture", "Gonadorelin diacetate", "Fertagyl", "Gonadorelin acetate", "Gonadorelin acetate anhydrous", "Hypocrine", "Luteinizing", "Luteinizing hormone-releasing factor diacetate tetrahydrate", "ABBOTT-41070", "Gnrh", "Gonadotropin releasing hormone", "Lh releasing factor", "Lutrelef", "Lutrepulse kit", "Gonadorelin acetate", "Gonadorelin acetate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1252", "category": ["biolink:ChemicalEntity"], "name": "ABARELIX", "xref": ["InChIKey:AIWRTTMUVOZGPW-HSPKUQOVSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O"], "synonym": ["Abarelix", "Abarelix", "Abarelix", "Abarelix", "Abarelix", "PPI-149", "R-382", "R-3827", "R382", "R3827", "Plenaxis", "Abarelix"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2028987", "category": ["biolink:ChemicalEntity"], "name": "DEGARELIX ACETATE", "xref": ["InChIKey:AUTFSFUMNFDPLH-KYMMNHPFSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O"], "synonym": ["Degarelix acetate", "Degarelix acetate", "Degarelix acetate hydrate", "Degarelix (as acetate)", "Degarelix acetate", "FE-200486", "FE200486", "FE200486 (AS ACETATE SALT)", "Degarelix accord", "Firmagon", "Degarelix acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200501", "category": ["biolink:ChemicalEntity"], "name": "GOSERELIN ACETATE", "xref": ["InChIKey:IKDXDQDKCZPQSZ-JHYYTBFNSA-N", "SMILES:CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O"], "synonym": ["Goserelin acetate", "Goserelin acetate", "Goserelin acetate", "Fertilan", "Goserelin acetate", "Novgos", "Zoladex", "Zoladex la", "Goserelin acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200509", "category": ["biolink:ChemicalEntity"], "name": "HISTRELIN ACETATE", "xref": ["InChIKey:OWAUGAMNPZHEOJ-YKZVIGSYSA-N", "SMILES:CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1"], "synonym": ["Histrelin acetate", "Histrelin acetate", "Histrelin acetate", "Histrelin acetate", "Supprelin", "Supprelin la", "Vantas"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200516", "category": ["biolink:ChemicalEntity"], "name": "GONADORELIN HYDROCHLORIDE", "xref": ["InChIKey:UPRWQSQENCASAD-HBBGHHHDSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.Cl"], "synonym": ["Gonadorelin hydrochloride", "Gonadorelin hcl", "Gonadorelin hydrochloride", "Luteinizing hormone-releasing factor dihydrochloride", "AY-24,031", "AY-24031", "Factrel", "Gonadorelin hydrochloride", "Gonadorelin hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200554", "category": ["biolink:ChemicalEntity"], "name": "TRIPTORELIN PAMOATE", "xref": ["InChIKey:ZBVJFYPGLGEMIN-OYLNGHKZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O"], "synonym": ["Triptorelin embonate", "Triptorelin pamoate", "Triptorelin pamoate", "Salvacyl", "Triptorelin (as embonate)", "Triptorelin embonate", "Triptorelin pamoate", "Trelstar", "Triptodur kit", "Triptorelin pamoate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314377", "category": ["biolink:ChemicalEntity"], "name": "GANIRELIX ACETATE", "xref": ["InChIKey:OVBICQMTCPFEBS-SATRDZAXSA-N", "SMILES:CC(=O)O.CC(=O)O.CC/N=C(\\NCC)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN/C(=N/CC)NCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O"], "synonym": ["Ganirelix acetate", "Ganirelix acetate", "Ganirelix acetate", "Ganirelix acetate", "Ganirelix acetate", "Ganirest", "RS-26306", "RS-26306-298", "Ganirelix acetate", "Ganirelix acetate injection", "Ganirelix gedeon richter", "Ganirelix acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200775", "category": ["biolink:ChemicalEntity"], "name": "LEUPROLIDE ACETATE", "xref": ["InChIKey:RGLRXNKKBLIBQS-XNHQSDQCSA-N", "SMILES:CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1"], "synonym": ["Leuprorelin acetate", "Leuprolide acetate", "Leuprorelin acetate", "Leuprolide monoacetate", "Carcinil", "Enantone", "Fensolvi", "Leuplin", "Leuporelin acetate", "Leuprolide acetate", "Leuprorelin acetate", "Lucrin", "Lupaneta", "Lutrate depot", "Prostap", "Tap-144-sr", "Trenantone", "A-43818", "ABBOTT-43818", "TAP-144", "Eligard", "Eligard kit", "Fensolvi kit", "Leuprolide acetate", "Lupron", "Lupron depot", "Lupron depot ped", "Lupron depot-ped", "Lupron depot-ped kit", "Lutrate depot kit", "Viadur", "Leuprolide acetate", "Leuprolide acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL710", "category": ["biolink:ChemicalEntity"], "name": "FINASTERIDE", "xref": ["InChIKey:DBEPLOCGEIEOCV-WSBQPABSSA-N", "SMILES:CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Finasteride", "Finasteride", "Finasteride", "Finasteride", "Finasteride", "Finasterida", "Finasteride", "Finasteride", "Finasteride", "MK-906", "NSC-741485", "NSC-759318", "Aindeem", "Finasteride", "Finasteride component of entadfi", "Propecia", "Proscar", "Prostide", "Finasteride", "Finasteride"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "3-oxo-5-alpha-steroid 4-dehydrogenase 2", "xref": ["CHEMBL.TARGET:CHEMBL1856"], "id": "UniProtKB:P31213", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93", "category": ["biolink:ChemicalEntity"], "name": "ZILEUTON", "xref": ["InChIKey:MWLSOWXNZPKENC-UHFFFAOYSA-N", "SMILES:CC(c1cc2ccccc2s1)N(O)C(N)=O"], "synonym": ["Zileuton", "Zileuton", "Zileuton", "Zileuton", "Zileuton", "Zileuton", "A-64077", "ABBOTT-64077", "NSC-730712", "NSC-759277", "Zyflo", "Zyflo cr", "Zileuton", "Zileuton"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Polyunsaturated fatty acid 5-lipoxygenase", "xref": ["CHEMBL.TARGET:CHEMBL215"], "id": "UniProtKB:P09917", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200760", "category": ["biolink:ChemicalEntity"], "name": "BALSALAZIDE DISODIUM", "xref": ["InChIKey:CKMOQBVBEGCJGW-LLIZZRELSA-L", "SMILES:O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+]"], "synonym": ["Balsalazide sodium", "Balsalazide disodium", "Balsalazide disodium salt dihydrate", "Balsalazide disodium", "Balsalazide disodium anhydrous", "Balsalazide disodium dihydrate", "Balsalazine", "BX-661A", "BX661A", "NSC-760046", "Balsalazide disodium", "Colazal", "Colazide", "Giazo", "Balsalazide disodium", "Balsalazide disodium"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1562610", "category": ["biolink:ChemicalEntity"], "name": "MECLOFENAMATE SODIUM", "xref": ["InChIKey:QHJLLDJTVQAFAN-UHFFFAOYSA-M", "SMILES:Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.O.[Na+]"], "synonym": ["Meclofenamate sodium", "Meclofenamate sodium", "Meclofenamate sodium anhydrous", "Meclofenamate sodium hydrate", "Meclofenamic acid sodium", "Sodium meclofenamate", "Sodium meclofenamate monohydrate", "CL-583.NA SALT", "NSC-757088", "Meclodium", "Meclofenamate sodium", "Meclomen", "Meclofenamate sodium", "Meclofenamate sodium"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL704", "category": ["biolink:ChemicalEntity"], "name": "MESALAMINE", "xref": ["InChIKey:KBOPZPXVLCULAV-UHFFFAOYSA-N", "SMILES:Nc1ccc(O)c(C(=O)O)c1"], "synonym": ["Mesalazine", "Mesalazine", "Mesalazine", "Mesalamine", "Mesalazine", "Mesalazina", "Mesalazine", "Mesalamine", "Benzoic acid, 5-amino-2-hydroxy-", "Fisalamine", "Iialda", "Mesalamine", "Mesalazine", "MAX-002", "NSC-38877", "Apriso", "Asacol", "Asacol hd", "Canasa", "Coltec ec", "Delzicol", "Ipocol", "Lialda", "Mesalamine", "Mesren mr", "Mezavant xl", "Octasa", "Pentasa", "Pentasa sr", "Rowasa", "Salofalk", "Sfrowasa", "Mesalamine", "Mesalamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201013", "category": ["biolink:ChemicalEntity"], "name": "OLSALAZINE SODIUM", "xref": ["InChIKey:ZJEFYLVGGFISGT-VRZXRVJBSA-L", "SMILES:O=C([O-])c1cc(/N=N/c2ccc(O)c(C(=O)[O-])c2)ccc1O.[Na+].[Na+]"], "synonym": ["Olsalazine sodium", "Olsalazine sodium", "Olsalazine disodium salt", "Ads", "Azodisal sodium", "Disodium azodisalicylate", "Olsalazine disodium salt", "Olsalazine sodium", "Sodium azodisalicylate", "Sodium olsalazine", "CJ 91B", "CJ-91B", "Dipentum", "Olsalazine sodium"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL421", "category": ["biolink:ChemicalEntity"], "name": "SULFASALAZINE", "xref": ["InChIKey:NCEXYHBECQHGNR-QZQOTICOSA-N", "SMILES:O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O"], "synonym": ["Sulfasalazine", "Sulfasalazine", "Sulfasalazine", "Sulfasalazine", "Sulfasalazine", "Sulfasalazina", "Salazosulfapyridine", "Sulfasalazine", "Benzosulfa", "Salicylazosulfapyridine", "Sulfasalazine", "Sulfasalazinum", "Sulfasalazopyridine", "Sulphasalazine", "NSC-203730", "NSC-667219", "SAS-500", "Azulfidine", "Azulfidine en-tabs", "Colizine", "S.a.s.-500", "Salazopyrin", "Salazopyrin e.c.", "Salazopyrin-en", "Sulfasalazine", "Ucine", "Sulfasalazine", "Sulfasalazine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Muscarinic acetylcholine receptor M1", "xref": ["CHEMBL.TARGET:CHEMBL216"], "id": "UniProtKB:P11229", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092", "category": ["biolink:ChemicalEntity"], "name": "TRIHEXYPHENIDYL HYDROCHLORIDE", "xref": ["InChIKey:QDWJJTJNXAKQKD-UHFFFAOYSA-N", "SMILES:Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1"], "synonym": ["Trihexyphenidyl hydrochloride", "Trihexyphenidyl hydrochloride", "Trihexyphenidyl hydrochloride", "Aparkane", "Benzhexol hydrochloride", "Cyclodol", "Cyclodolum", "Parcopane", "Romparkin", "Sedrina", "Trihexyphenidyl hcl", "Trihexyphenidyl hydrochloride", "Trihexyphenidyli hydrochloridum", "Triphedinon", "NSC-757357", "Agitane", "Artane", "Bentex", "Broflex", "Tremin", "Trihexyphenidyl hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200828", "category": ["biolink:ChemicalEntity"], "name": "CYCRIMINE HYDROCHLORIDE", "xref": ["InChIKey:WBCWFMFZMRFRLT-UHFFFAOYSA-N", "SMILES:Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1"], "synonym": ["Cycrimine hydrochloride", "Cycrimine hcl", "NSC-169452", "Pagitane"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201035", "category": ["biolink:ChemicalEntity"], "name": "BIPERIDEN HYDROCHLORIDE", "xref": ["InChIKey:RDNLAULGBSQZMP-UHFFFAOYSA-N", "SMILES:Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2"], "synonym": ["Biperiden hydrochloride", "Biperiden hydrochloride", "Biperiden hydrochloride", "Akinophyl", "Biperiden hcl", "Biperiden hydrochloride", "Biperideni hydrochloridum", "Tasmolin", "NSC-170950", "NSC-84989", "Akineton", "Akineton ret"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201067", "category": ["biolink:ChemicalEntity"], "name": "BIPERIDEN LACTATE", "xref": ["InChIKey:GLPUBCPQWZZFNJ-UHFFFAOYSA-N", "SMILES:CC(O)C(=O)O.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2"], "synonym": ["Biperiden lactate", "Biperiden lactate", "Biperiden lactate", "Akineton"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1761", "category": ["biolink:ChemicalEntity"], "name": "PROCYCLIDINE HYDROCHLORIDE", "xref": ["InChIKey:ZFSPFXJSEHCTTR-UHFFFAOYSA-N", "SMILES:Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1"], "synonym": ["Procyclidine hydrochloride", "Procyclidine hydrochloride", "Procyclidine hcl", "NSC-757293", "Arpicolin", "Kemadrin", "Muscinil"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1529", "category": ["biolink:ChemicalEntity"], "name": "DIPHENIDOL HYDROCHLORIDE", "xref": ["InChIKey:AVZIYZHXZAYGJS-UHFFFAOYSA-N", "SMILES:Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1"], "synonym": ["Diphenidol hydrochloride", "Cephadol", "Diphenidol hcl", "Diphenidol hydrochloride", "NSC-23012", "SK&F 478-A", "SK&F-478-A", "SK-478-A", "Vontrol", "Diphenidol hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL569713", "category": ["biolink:ChemicalEntity"], "name": "SCOPOLAMINE", "xref": ["InChIKey:STECJAGHUSJQJN-FWXGHANASA-N", "SMILES:CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12"], "synonym": ["Scopolamine", "Scopolamine", "Scopolamine", "Scopolamine", "Scopolamine", "Transderm scop", "Scopolamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200426", "category": ["biolink:ChemicalEntity"], "name": "METHIXENE HYDROCHLORIDE", "xref": ["InChIKey:RAOHHYUBMJLHNC-UHFFFAOYSA-N", "SMILES:CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.Cl.O"], "synonym": ["Metixene hydrochloride", "Methixene hydrochloride", "Metixene hydrochloride", "Anhydrous metixene hydrochloride", "Methixene hcl", "Methixene hydrochloride", "Methixene hydrochloride anhydrous", "Metixene hydrochloride anhydrous", "NSC-78194", "SJ 1977", "SJ-1977", "Metixen", "Tremaril", "Tremarit", "Tremonil", "Trest", "Methixene hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200970", "category": ["biolink:ChemicalEntity"], "name": "ETHOPROPAZINE HYDROCHLORIDE", "xref": ["InChIKey:VXPCQISYVPFYRK-UHFFFAOYSA-N", "SMILES:CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl"], "synonym": ["Ethopropazine hydrochloride", "Ethopropazine hcl", "Profenamine hydrochloride", "NSC-169467", "NSC-64074", "Parsidol"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200383", "category": ["biolink:ChemicalEntity"], "name": "BENZTROPINE MESYLATE", "xref": ["InChIKey:CPFJLLXFNPCTDW-BWSPSPBFSA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O"], "synonym": ["Benzatropine mesilate", "Benztropine mesylate", "Benztropine methanesulfonate", "Benzatropine mesilate", "Benztropine mesilate", "Benztropine mesylate", "NSC-169913", "Benztropine mesylate", "Cogentin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201740", "category": ["biolink:ChemicalEntity"], "name": "NILOTINIB HYDROCHLORIDE MONOHYDRATE", "xref": ["InChIKey:YCBPQSYLYYBPDW-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1.Cl.O"], "synonym": ["Nilotinib hydrochloride monohydrate", "Nilotinib hydrochloride", "Nilotinib hydrochloride monohydrate", "Nilotinib hydrochloride hydrate", "Nilotinib hydrochloride monohydrate", "Nilotinib (as hydrochloride)", "Nilotinib hydrochloride", "Nilotinib hydrochloride anhydrous", "Nilotinib hydrochloride hydrate", "Nilotinib hydrochloride monohydrate", "Tasigna"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Tyrosine-protein kinase ABL1", "xref": ["CHEMBL.TARGET:CHEMBL1862"], "id": "UniProtKB:P00519", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1421", "category": ["biolink:ChemicalEntity"], "name": "DASATINIB ANHYDROUS", "xref": ["InChIKey:ZBNZXTGUTAYRHI-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1"], "synonym": ["Dasatinib anhydrous", "Dasatinib (anhydrous)", "BMS-354825", "Dasatinib accord", "Dasatinib accordpharma"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL288441", "category": ["biolink:ChemicalEntity"], "name": "BOSUTINIB", "xref": ["InChIKey:UBPYILGKFZZVDX-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl"], "synonym": ["Bosutinib", "Bosutinib", "Bosutinib", "Bosutinib", "Bosutinib", "SK-606", "SKI-606", "Bosutinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1946170", "category": ["biolink:ChemicalEntity"], "name": "REGORAFENIB", "xref": ["InChIKey:FNHKPVJBJVTLMP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1"], "synonym": ["Regorafenib", "Regorafenib", "Regorafenib", "Regorafenib", "Regorafenib", "Regorafenib hydrate", "Regorafenib", "Regorafenib", "Regorafenib anhydrous", "Regorafenib hydrate", "Regorafenib monohydrate", "BAY 73-4506", "BAY 73-4506 monohydrate", "BAY-73-4506", "BAY-73-4506 MONOHYDRATE", "BAY-734506", "BAY-734506 MONOHYDRATE", "Stivarga", "Regorafenib", "Regorafenib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1642", "category": ["biolink:ChemicalEntity"], "name": "IMATINIB MESYLATE", "xref": ["InChIKey:YLMAHDNUQAMNNX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1"], "synonym": ["Imatinib mesilate", "Imatinib mesylate", "Imatinib mesylate", "Imatinib mesilate", "Imatinib methanesulfonate", "Imatinib (as mesilate)", "Imatinib accord", "Imatinib medac", "Imatinib mesilate", "Imatinib mesylate", "Imatinib methane sulfonate", "Qti571", "NSC-716051", "QTI-571", "QTI571", "STI 571", "STI-571", "STI571", "Gleevec", "Glivec", "Imatinib accord", "Imatinib actavis", "Imatinib koanaa", "Imatinib medac", "Imatinib mesylate", "Imatinib teva", "Imatinib teva b.v.", "Imatinib mesylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201832", "category": ["biolink:ChemicalEntity"], "name": "ROMIPLOSTIM", "synonym": ["Romiplostim", "Romiplostim", "Romiplostim", "Romiplostim", "Romiplostim", "Romiplostim", "Romiplostim", "Romiplate", "Romiplostim", "AMG 531", "Nplate", "Romiplostim"], "chembl_availability_type": "prescription only"}
{"name": "Thrombopoietin receptor", "xref": ["CHEMBL.TARGET:CHEMBL1864"], "id": "UniProtKB:P40238", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989691", "category": ["biolink:ChemicalEntity"], "name": "ELTROMBOPAG OLAMINE", "xref": ["InChIKey:PLILLUUXAVKBPY-SBIAVEDLSA-N", "SMILES:CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O.NCCO.NCCO"], "synonym": ["Eltrombopag olamine", "Eltrombopag olamine", "Eltrombopag olamine", "Eltrombopag compd with 2-aminoethanol (1:2)", "Eltrombopag (as olamine)", "Eltrombopag olamine", "SB-497115-GR", "Promacta", "Promacta kit", "Revolade", "Eltrombopag olamine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Histone deacetylase 6", "synonym": ["Protein deacetylase HDAC6"], "xref": ["CHEMBL.TARGET:CHEMBL1865"], "id": "UniProtKB:Q9UBN7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24", "category": ["biolink:ChemicalEntity"], "name": "ATENOLOL", "xref": ["InChIKey:METKIMKYRPQLGS-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1ccc(CC(N)=O)cc1"], "synonym": ["Atenolol", "Atenolol", "Atenolol", "Atenolol", "Atenolol", "Atenolol", "Atenolol", "Atenolol", "Atenololum", "Betacard", "Corotenol", "Duraatenolol", "Juvental", "Myocord", "Novaten", "Prenormine", "Urosin", "C07AB03", "ICI 66,082", "ICI 66082", "ICI-66082", "NSC-757832", "Antipressan", "Atenamin", "Atenix-100", "Atenix-25", "Atenix-50", "Atenolol", "Atenolol component of polycap", "Atenolol component of tenoretic", "Ibinolo", "Kentol", "Tenormin", "Tenormin 25", "Tenormin l.s.", "Totamol", "Unibloc", "Vasaten", "Atenolol", "Atenolol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Beta-1 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL213"], "id": "UniProtKB:P08588", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200837", "category": ["biolink:ChemicalEntity"], "name": "LEVOBETAXOLOL HYDROCHLORIDE", "xref": ["InChIKey:CHDPSNLJFOQTRK-LMOVPXPDSA-N", "SMILES:CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1.Cl"], "synonym": ["Levobetaxolol hydrochloride", "Levobetaxolol hcl", "Levobetaxolol hydrochloride", "AL-1577A", "AL1577A", "Betaxon", "Levobetaxolol hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200813", "category": ["biolink:ChemicalEntity"], "name": "ACEBUTOLOL HYDROCHLORIDE", "xref": ["InChIKey:KTUFKADDDORSSI-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl"], "synonym": ["Acebutolol hydrochloride", "Acebutolol hydrochloride", "Acebutolol hcl", "Acetanol", "Neptal", "Prent", "B 17803A", "B-17803A", "IL-17803A", "M&AMP", "M&B 17803A", "M&B-17803A", "NSC-757412", "Acebut hcl", "Acebutolol hydrochloride", "Sectral", "Sectral 200", "Sectral 400"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201115", "category": ["biolink:ChemicalEntity"], "name": "ESMOLOL HYDROCHLORIDE", "xref": ["InChIKey:GEKNCWBANDDJJL-UHFFFAOYSA-N", "SMILES:COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl"], "synonym": ["Esmolol hydrochloride", "Esmolol hydrochloride", "Esmolol hydrochloride", "Esmolol hydrochloride", "Esmolol hcl", "Esmolol hydrochloride", "ASL-8052", "Brevibloc", "Clol", "Esmolol hydrochloride", "Esmolol hydrochloride", "Esmolol hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200745", "category": ["biolink:ChemicalEntity"], "name": "OXPRENOLOL HYDROCHLORIDE", "xref": ["InChIKey:COAJXCLTPGGDAJ-UHFFFAOYSA-N", "SMILES:C=CCOc1ccccc1OCC(O)CNC(C)C.Cl"], "synonym": ["Oxprenolol hydrochloride", "Oxprenolol hydrochloride", "Oxprenolol hydrochloride", "Oxprenolol hcl", "BA-39,089", "BA-39089", "Apsolox", "Laracor", "Oxyprenix excel 160", "Paritane", "Slow-pren", "Slow-trasicor", "Trasicor", "Trasicor ret", "Oxprenolol hydrochloride", "Oxprenolol hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1472989", "category": ["biolink:ChemicalEntity"], "name": "BISOPROLOL FUMARATE", "xref": ["InChIKey:VMDFASMUILANOL-WXXKFALUSA-N", "SMILES:CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O"], "synonym": ["Bisoprolol fumarate", "Bisoprolol fumarate", "Bisoprolol fumarate", "Bisoprolol hemifumarate", "Bisoprolol fumarate", "Detensiel", "Emconcor", "Euradal", "Isoten", "Speridol", "CL 297,939", "CL-297939", "EMD-33-512", "EMD-33512", "Bipranix", "Bisoprolol fumarate", "Bisoprolol fumarate component of ziac", "Cardicor", "Concor", "Congescor", "Emcor", "Emcor ls", "Isoten mitis", "Monocor", "Soloc", "Soprol", "Vivacor", "Zebeta", "Bisoprolol fumarate", "Bisoprolol fumarate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201177", "category": ["biolink:ChemicalEntity"], "name": "LEVOBUNOLOL HYDROCHLORIDE", "xref": ["InChIKey:DNTDOBSIBZKFCP-YDALLXLXSA-N", "SMILES:CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O.Cl"], "synonym": ["Levobunolol hydrochloride", "Levobunolol hydrochloride", "Levobunolol hcl", "Levobunolol hydrochloride", "NSC-759158", "W 7000A", "W-7000A", "Akbeta", "Betagan", "Levobunolol hydrochloride", "Levobunolol hydrochloride", "Levobunolol hydrochloride"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL500", "category": ["biolink:ChemicalEntity"], "name": "PINDOLOL", "xref": ["InChIKey:JZQKKSLKJUAGIC-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1cccc2[nH]ccc12"], "synonym": ["Pindolol", "Pindolol", "Pindolol", "Pindolol", "Pindolol", "Pindolol", "Pindolol", "(rs)-pindolol", "Apo-pindol", "Betapindol", "Blocklin-l", "Calvisken", "Carvisken", "Decreten", "Dl-lb-46", "Dl-pindolol", "Durapindol", "Glauco-visken", "Pectobloc", "Pinbetol", "Pindolol", "Prinodolol", "Pynastin", "(+/-)-LB-46", "LB-46", "NSC-757276", "Betadren", "Pindolol", "Pindolol component of viskazide", "Visken", "Pindolol", "Pindolol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200947", "category": ["biolink:ChemicalEntity"], "name": "METIPRANOLOL HYDROCHLORIDE", "xref": ["InChIKey:BLWNYSZZZWQCKO-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C.Cl"], "synonym": ["Metipranolol hydrochloride", "Betamann", "Metipranolol hcl", "Optipranolol"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200418", "category": ["biolink:ChemicalEntity"], "name": "DOBUTAMINE HYDROCHLORIDE", "xref": ["InChIKey:BQKADKWNRWCIJL-UHFFFAOYSA-N", "SMILES:CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl"], "synonym": ["Dobutamine hydrochloride", "Dobutamine hydrochloride", "Dobutamine hydrochloride", "Dobutamine hydrochloride", "Dobutamine hydrochloride", "Dl-dobutamine hydrochloride", "Dobutamine hcl", "Dobutamine hydrochloride", "46236", "NSC-299583", "Dobutamine hydrochloride", "Dobutrex", "Inotrex", "Posiject", "Dobutamine hydrochloride", "Dobutamine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1557", "category": ["biolink:ChemicalEntity"], "name": "DOPAMINE HYDROCHLORIDE", "xref": ["InChIKey:CTENFNNZBMHDDG-UHFFFAOYSA-N", "SMILES:Cl.NCCc1ccc(O)c(O)c1"], "synonym": ["Dopamine hydrochloride", "Dopamine hydrochloride", "Dopamine hydrochloride", "Dopamine hydrochloride", "Dopamine hydrochloride", "Cardiosteril", "Dopamine hcl", "Dopamine hydrochloride", "Dopamini hydrochloridum", "Inotropin", "Tensamin", "ASL-279", "NSC-169105", "Dopamin-natterman", "Dopamine hydrochloride", "Dopmin", "Dynatra", "Intropin", "Neoatricon", "Sabax dopamin", "Selectajet", "Dopamine hydrochloride", "Dopamine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL521606", "category": ["biolink:ChemicalEntity"], "name": "NADOLOL", "xref": ["InChIKey:VWPOSFSPZNDTMJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2"], "synonym": ["Nadolol", "Nadolol", "Nadolol", "Nadolol", "Nadolol", "Nadolol", "Nadolol", "Nadolol", "NSC-758430", "SQ 11725", "SQ-11725", "Corgard", "Nadolol", "Nadolol component of corzide", "Solgol", "Nadolol", "Nadolol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1671", "category": ["biolink:ChemicalEntity"], "name": "PROPRANOLOL HYDROCHLORIDE", "xref": ["InChIKey:ZMRUPTIKESYGQW-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1cccc2ccccc12.Cl"], "synonym": ["Propranolol hydrochloride", "Propranolol hydrochloride", "Propranolol hydrochloride", "Propranolol hydrochloride", "Propranolol hydrochloride", "Propranolol hydrochloride", "AY 64043", "AY-64043", "ICI 45520", "ICI-45520", "NSC-91523", "Anaprilin", "Angilol", "Apsolol", "Avlocardyl", "Bedranol", "Bedranol s.r.", "Beprane", "Berkolol", "Beta-prograne mr", "Betadur cr", "Cardinol", "Caridolol", "Deralin", "Dociton", "Dupromex", "Half beta-prograne mr", "Half propanix la", "Half propatard la", "Half-beprane cr", "Half-betadur cr", "Half-inderal la", "Hemangeol", "Hemangiol", "Inderal", "Inderal la", "Inderalici", "Indobloc", "Innopran", "Innopran xl", "Lederpronol", "Lopranol la", "Monoprolol", "Obsidan", "Probeta la", "Propanix la", "Propanix-10", "Propanix-160", "Propanix-160 sr", "Propanix-40", "Propanix-80", "Propatard la", "Propranolol hydrochloride", "Propranolol hydrochloride intensol", "Pylapron", "Rapranol sr", "Sagittol", "Slo-blok", "Slo-pro", "Sloprolol", "Sumial", "Syprol", "Tesnol", "Propranolol hydrochloride", "Propranolol hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2361370", "category": ["biolink:ChemicalEntity"], "name": "PENBUTOLOL SULFATE", "xref": ["InChIKey:FEDSNBHHWZEYTP-ZFQYHYQMSA-N", "SMILES:CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.O=S(=O)(O)O"], "synonym": ["Penbutolol sulfate", "Penbutolol sulfate", "Penbutolol sulfate", "Penbutolol sulphate", "HOE 39-893D", "HOE 893D", "HOE-39-893D", "HOE-893D", "NSC-760043", "Betapressin", "Levatol", "Penbutolol sulfate", "Penbutolol sulfate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1700", "category": ["biolink:ChemicalEntity"], "name": "SOTALOL HYDROCHLORIDE", "xref": ["InChIKey:VIDRYROWYFWGSY-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl"], "synonym": ["Sotalol hydrochloride", "Sotalol hydrochloride", "Sotalol hydrochloride", "Sotalol hydrochloride", "Darob", "Sotalol hcl", "Sotalol hydrochloride", "DL-MJ-1999", "MJ 1999", "MJ-1999", "NSC-337251", "NSC-760358", "Beta-cardone", "Betapace", "Betapace af", "Sorine", "Sotacor", "Sotalex", "Sotalol hydrochloride", "Sotalol hydrochloride component of sotylize", "Sotylize", "Sotalol hydrochloride", "Sotalol hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989566", "category": ["biolink:ChemicalEntity"], "name": "METOPROLOL FUMARATE", "xref": ["InChIKey:BRIPGNJWPCKDQZ-WXXKFALUSA-N", "SMILES:COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)/C=C/C(=O)O"], "synonym": ["Metoprolol fumarate", "Metoprolol fumarate", "Metoprolol fumarate", "CGP 2175C", "CGP-2175C", "Lopressor", "Lopressor oros", "Metoros", "Metoros ls", "Metoprolol fumarate", "Metoprolol fumarate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1691", "category": ["biolink:ChemicalEntity"], "name": "BETAXOLOL HYDROCHLORIDE", "xref": ["InChIKey:CHDPSNLJFOQTRK-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.Cl"], "synonym": ["Betaxolol hydrochloride", "Betaxolol hydrochloride", "Betaxolol hydrochloride", "Betaxolol hcl", "ALO 1401-02", "ALO-1401-02", "ALO-140102", "NSC-760048", "SL 75.212-10", "SL-75.212-10", "SL-75212-10", "SL-7521210", "Betaxolol hydrochloride", "Betaxolol hydrochloride component of betoptic pilo", "Betaxolol hydrochloride component of kerledex", "Betoptic", "Betoptic s", "Kerlone", "Betaxolol hydrochloride", "Betaxolol hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200870", "category": ["biolink:ChemicalEntity"], "name": "TIMOLOL MALEATE", "xref": ["InChIKey:WLRMANUAADYWEA-NWASOUNVSA-N", "SMILES:CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Timolol maleate", "Timolol maleate", "Timolol hydrogen maleate salt", "Aquanil", "Ophtamolol", "Timolol (as maleate)", "Timolol maleate", "Timolol maleate, s-enantiomer", "Timololi maleas", "NSC-757351", "WP-934", "Blocadren", "Istalol", "Timolol maleate", "Timolol maleate component of combigan", "Timolol maleate component of cosopt", "Timolol maleate component of duotrav", "Timolol maleate component of ganfort", "Timolol maleate component of xalacom", "Timoptic", "Timoptic in ocudose", "Timoptic xe", "Timoptic-xe", "Timolol maleate", "Timolol maleate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2356097", "category": ["biolink:ChemicalEntity"], "name": "METOPROLOL SUCCINATE", "xref": ["InChIKey:RGHAZVBIOOEVQX-UHFFFAOYSA-N", "SMILES:COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)CCC(=O)O"], "synonym": ["Metoprolol succinate", "Metoprolol succinate", "Metoprolol hemisuccinate", "Metoprolol succinate", "Seloken-zok", "Selozok", "H 93/26 SUCCINATE", "Kapspargo sprinkle", "Metoprolol succinate", "Metoprolol succinate component of dutoprol", "Toprol", "Toprol-xl", "Metoprolol succinate", "Metoprolol succinate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2062335", "category": ["biolink:ChemicalEntity"], "name": "METOPROLOL TARTRATE", "xref": ["InChIKey:YGULWPYYGQCFMP-UHFFFAOYSA-N", "SMILES:COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Metoprolol tartrate", "Metoprolol tartrate", "Metoprolol tartrate", "Metoprolol tartrate", "Beloc", "Metoprolol hemitartrate", "Metoprolol tartrate", "Metropress", "Prelis", "Seloken", "Selopral", "CGP-2175E", "NSC-757105", "Arbralene", "Beloc cor", "Betaloc", "Betaloc s.a.", "Lopresor", "Lopresor sr", "Lopressor", "Mepranix 100", "Mepranix 50", "Metoprolol tartrate", "Metoprolol tartrate component of lopressidone", "Metoprolol tartrate component of lopressor hct", "Tensomex", "Toprol xl", "Metoprolol tartrate", "Metoprolol tartrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201731", "category": ["biolink:ChemicalEntity"], "name": "NEBIVOLOL HYDROCHLORIDE", "xref": ["InChIKey:JWEXHQAEWHKGCW-UHFFFAOYSA-N", "SMILES:Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1"], "synonym": ["Nebivolol hydrochloride", "Nebivolol hydrochloride", "Nebivolol hcl", "Nebivolol hydrochloride", "R-067555", "R067555", "RO67555", "Bystolic", "Nebivolol hydrochloride", "Nebivolol hydrochloride component of byvalson", "Nebivolol hydrochloride", "Nebivolol hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201063", "category": ["biolink:ChemicalEntity"], "name": "PROPAFENONE HYDROCHLORIDE", "xref": ["InChIKey:XWIHRGFIPXWGEF-UHFFFAOYSA-N", "SMILES:CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl"], "synonym": ["Propafenone hydrochloride", "Propafenone hydrochloride", "Propafenone hydrochloride", "Propafenone hydrochloride", "Propafenone hcl", "Propafenone hydrochloride", "NSC-758640", "Arythmol", "Propafenone hydrochloride", "Rythmol", "Rythmol sr", "Rytmonorm", "Propafenone hydrochloride", "Propafenone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL499", "category": ["biolink:ChemicalEntity"], "name": "TIMOLOL", "xref": ["InChIKey:BLJRIMJGRPQVNF-JTQLQIEISA-N", "SMILES:CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1"], "synonym": ["Timolol", "Timolol", "Timolol", "Timolol", "Timolol", "Timolol", "Timolol", "Timolol anhydrous", "Timolol hemihydrate", "Betim", "Betimol", "Blocadren", "Glau-opt", "Glaucol", "Nyogel", "Timolol", "Tiopex", "Timolol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201461", "category": ["biolink:ChemicalEntity"], "name": "DEXTROMETHORPHAN POLISTIREX", "synonym": ["Dextromethorphan polistirex", "Dextromethorphan polistirex", "NSC-751452", "Delsym", "Dextromethorphan polistirex", "Dextromethorphan polistirex"], "chembl_availability_type": "over the counter"}
{"name": "Sigma non-opioid intracellular receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL287"], "id": "UniProtKB:Q99720", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989509", "category": ["biolink:ChemicalEntity"], "name": "PENTAZOCINE LACTATE", "xref": ["InChIKey:QNLDTXPVZPRSAM-UHFFFAOYSA-N", "SMILES:CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C.CC(O)C(=O)O"], "synonym": ["Pentazocine lactate", "Pentazocine lactate", "Pentazocine lactate", "Talwin (lactate)", "Talwin", "Pentazocine lactate", "Pentazocine lactate"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989510", "category": ["biolink:ChemicalEntity"], "name": "PENTAZOCINE HYDROCHLORIDE", "xref": ["InChIKey:OQGYMIIFOSJQSF-UHFFFAOYSA-N", "SMILES:CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C.Cl"], "synonym": ["Pentazocine hydrochloride", "Pentazocine hydrochloride", "Pentazocine hcl", "Pentazocine hydrochloride", "Pentazocine hydrochloride component of talacen", "Pentazocine hydrochloride component of talwin compound", "Pentazocine hydrochloride component of talwin nx", "Talwin 50", "Pentazocine hydrochloride", "Pentazocine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1256818", "category": ["biolink:ChemicalEntity"], "name": "DEXTROMETHORPHAN HYDROBROMIDE", "xref": ["InChIKey:STTADZBLEUMJRG-IKNOHUQMSA-N", "SMILES:Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O"], "synonym": ["Dextromethorphan hydrobromide", "Dextromethorphan hydrobromide", "Dextromethorphan hydrobromide", "NSC-756723", "Beecham coughcaps", "Brontyl", "Contac coughcaps", "Delsym", "Dextromethorphan hydrobromide component of auvelity", "Dextromethorphan hydrobromide component of avp-923", "Dextromethorphan hydrobromide component of bromanate dm", "Dextromethorphan hydrobromide component of bromfed-dm", "Dextromethorphan hydrobromide component of dimetane-dx", "Dextromethorphan hydrobromide component of mucinex dm", "Dextromethorphan hydrobromide component of nuedexta", "Dextromethorphan hydrobromide component of pherazine dm", "Dextromethorphan hydrobromide component of promethazine dm", "Franolyn dry", "Franolyn sed", "Nuedexta", "St. joseph cough syrup", "Tussabron", "Tuxium"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1072", "category": ["biolink:ChemicalEntity"], "name": "BUMETANIDE", "xref": ["InChIKey:MAEIEVLCKWDQJH-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1"], "synonym": ["Bumetanide", "Bumetanide", "Bumetanide", "Bumetanide", "Bumetanide", "Bumetanida", "Bumetanide", "Bumetanide", "Bumetanide", "PF-1593", "PF1593", "RO 10-6338", "RO-10-6338", "RO-106338", "RO10-6338", "S-95008.", "S95008.", "Betinex", "Bumetanide", "Bumex", "Burinex", "Lixil", "Bumetanide", "Bumetanide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Solute carrier family 12 member 1", "xref": ["CHEMBL.TARGET:CHEMBL1874"], "id": "UniProtKB:Q13621", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456", "category": ["biolink:ChemicalEntity"], "name": "ETHACRYNIC ACID", "xref": ["InChIKey:AVOLMBLBETYQHX-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl"], "synonym": ["Etacrynic acid", "Ethacrynic acid", "Etacrynic acid", "Etacrynic acid", "Ethacrynic acid", "Etacrynic acid", "Acide etacrynique", "Acido etacrinico", "Etacrynic acid", "Ethacrynic acid", "Etacrynic acid", "Ethacrynate", "Ethacrynic acid", "MK-595", "NSC-624008", "NSC-85791", "Edecrin", "Ethacrynic acid", "Hydromedin", "Reomax", "Ethacrynic acid", "Ethacrynic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1148", "category": ["biolink:ChemicalEntity"], "name": "TORSEMIDE", "xref": ["InChIKey:NGBFQHCMQULJNZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1"], "synonym": ["Torasemide", "Torasemide", "Torasemide", "Torasemide anhydrous", "Torsemide", "Torsemide", "Torasemide", "Torasemida", "Torasemide", "Torsemide", "Luprac", "Torasemide", "Torasemide anhydrous", "Torsemide", "Upcard", "AC-4464", "AC4464", "BM-02.015", "BM-02015", "BM02.015", "Demadex", "Isemid", "Soaanz", "Torem 10", "Torem 2.5", "Torem 5", "Torsemide", "Upcard", "Torsemide", "Torsemide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL35", "category": ["biolink:ChemicalEntity"], "name": "FUROSEMIDE", "xref": ["InChIKey:ZZUFCTLCJUWOSV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl"], "synonym": ["Furosemide", "Furosemide", "Furosemide", "Furosemide", "Furosemide", "Furosemida", "Furosemide", "Furosemide", "Frusemide", "Furoscix", "Furosemide", "Furosemidum", "Logirene", "Marsemide", "Mirfat", "Oedemex", "LB-502", "NSC-269420", "Aluzine 20", "Aluzine 40", "Aluzine 500", "Aquamed", "Diuresal", "Dryptal", "Froop", "Frumax", "Frumil", "Frusetic", "Frusid", "Frusol", "Furoscix", "Furosemide", "Hydroled", "Lasix", "Lasix ret", "Rusyde", "Tenkofruse", "Furosemide", "Furosemide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200487", "category": ["biolink:ChemicalEntity"], "name": "ETHACRYNATE SODIUM", "xref": ["InChIKey:CWCSCNSKBSCYCS-UHFFFAOYSA-M", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl.[Na+]"], "synonym": ["Ethacrynate sodium", "Ethacrynic acid sodium salt", "Etacrynate sodium", "Ethacrynate sodium", "Ethacrynic acid sodium salt", "Sodium etacrynate", "Sodium ethacrynate", "Edecrin", "Ethacrynate sodium", "Ethacrynate sodium", "Ethacrynate sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL406", "category": ["biolink:ChemicalEntity"], "name": "INDAPAMIDE", "xref": ["InChIKey:NDDAHWYSQHTHNT-UHFFFAOYSA-N", "SMILES:CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1"], "synonym": ["Indapamide", "Indapamide", "Indapamide", "Indapamide", "Indapamide", "Indapamida", "Indapamide", "Indapamide", "Arifon", "Bajaten", "Damide", "Flubest", "Fludex", "Fludin", "Flupamid", "Indaflex", "Indamide", "Indamol", "Indapamide", "Ipamix", "Lorvas", "Natrix", "Noranat", "Tandix", "Tertensif", "Veroxil", "KYD-041", "NSC-757075", "S-1520", "SE-1520", "Cardide sr", "Ethibide xl", "Indapamide", "Indapamide component of br-1015", "Indaxa 2.5", "Indipam xl", "Lozol", "Mapemid xl", "Natrilix", "Natrilix sr", "Nindaxa 2.5", "Opumide 2.5", "Rawel xl", "Tensaid xl", "Varbim xl", "Indapamide", "Indapamide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Solute carrier family 12 member 3", "xref": ["CHEMBL.TARGET:CHEMBL1876"], "id": "UniProtKB:P55017", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL878", "category": ["biolink:ChemicalEntity"], "name": "METOLAZONE", "xref": ["InChIKey:AQCHWTWZEMGIFD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C"], "synonym": ["Metolazone", "Metolazone", "Metolazone", "Metolazone", "Metolazone", "Metolazona", "Metolazone", "Metolazone", "Metazoline", "Metolazone", "Metozalone", "Normelan", "Oldren", "NSC-759581", "SR 720-22", "SR-720-22", "Diulo", "Metenix", "Metolazone", "Mykrox", "Xuret", "Zaroxolyn", "Metolazone", "Metolazone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL61593", "category": ["biolink:ChemicalEntity"], "name": "CYCLOTHIAZIDE", "xref": ["InChIKey:BOCUKUHCLICSIY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O"], "synonym": ["Cyclothiazide", "Cyclothiazide", "Cyclothiazide", "Cyclothiazide", "Ciclotiazida", "35483", "NSC-758431", "Anhydron", "Fluidil", "Cyclothiazide", "Cyclothiazide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201039", "category": ["biolink:ChemicalEntity"], "name": "BENZTHIAZIDE", "xref": ["InChIKey:NDTSRXAMMQDVSW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O"], "synonym": ["Benzthiazide", "Benzthiazide", "Benztiazida", "Benzothiazide", "NSC-755902", "Aquatag", "Benzthiazide", "Exna", "Fovane", "Urese"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL842", "category": ["biolink:ChemicalEntity"], "name": "CHLOROTHIAZIDE", "xref": ["InChIKey:JBMKAUGHUNFTOL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O"], "synonym": ["Chlorothiazide", "Chlorothiazide", "Chlorothiazide", "Chlorothiazide", "Clorotiazida", "Chlorothiazide", "Chlorothiazide", "Chlorothiazide", "NSC-25693", "Chlorothiazide", "Diuril", "Saluric", "Hydrochlorothiazide impurity, chlorothiazide-"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200616", "category": ["biolink:ChemicalEntity"], "name": "CHLOROTHIAZIDE SODIUM", "xref": ["InChIKey:CPIWHAFLBZQYLQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O.[Na+]"], "synonym": ["Chlorothiazide sodium", "Chlorothiazide sodium salt", "Chlorothiazide sodium", "Chlorothiazide sodium salt", "Chlorothiazide sodium", "Diuril", "Chlorothiazide sodium", "Chlorothiazide sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1532", "category": ["biolink:ChemicalEntity"], "name": "QUINETHAZONE", "xref": ["InChIKey:AGMMTXLNIQSRCG-UHFFFAOYSA-N", "SMILES:CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1"], "synonym": ["Quinethazone", "Quinethazone", "Quinethazone", "Quinetazona", "NSC-759904", "Hydromox", "Quinethazone component of hydromox r"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1577", "category": ["biolink:ChemicalEntity"], "name": "METHYCLOTHIAZIDE", "xref": ["InChIKey:CESYKOGBSMNBPD-UHFFFAOYSA-N", "SMILES:CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O"], "synonym": ["Methyclothiazide", "Methyclothiazide", "Methyclothiazide", "Methyclothiazide", "Methyclothiazide", "Meticlotiazida", "Methyclothiazide", "NSC-110431", "Aquatensen", "Enduron", "Methyclothiazide", "Methyclothiazide component of diutensen-r", "Methyclothiazide component of enduronyl", "Methyclothiazide component of eutron", "Methyclothiazide", "Methyclothiazide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL435", "category": ["biolink:ChemicalEntity"], "name": "HYDROCHLOROTHIAZIDE", "xref": ["InChIKey:JZUFKLXOESDKRF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O"], "synonym": ["Hydrochlorothiazide", "Hydrochlorothiazide", "Hydrochlorothiazide", "Hydrochlorothiazide", "Hidroclorotiazida", "Hydrochlorothiazide", "Apresazide", "Carozide", "Chlorosulthiadil", "Copalia-hct", "Dafiro-hct", "Dihydrochlorurite", "Exforge-hct", "Hidrotiazida", "Hydrochlorothiaizide", "Hydrochlorothiazide", "Hydrochlorothiazidum", "Hydrochlorthiazide", "Idrotiazide", "Imprida-hct", "Lotensin hct", "Megadiuril", "Newtolide", "Pantemon", "Rasilez-hct", "Servithiazid", "Unipres", "Vetidrex", "NSC-53477", "SU-5879", "Apo-hydro", "Esidrex", "Esidrix", "Hydro-d", "Hydrochlorothiazide", "Hydrochlorothiazide component of accuretic", "Hydrochlorothiazide component of aldactazide", "Hydrochlorothiazide component of aldoril", "Hydrochlorothiazide component of amturnide", "Hydrochlorothiazide component of apresazide", "Hydrochlorothiazide component of apresoline-esidrix", "Hydrochlorothiazide component of avalide", "Hydrochlorothiazide component of benicar hct", "Hydrochlorothiazide component of cam-ap-es", "Hydrochlorothiazide component of diovan hct", "Hydrochlorothiazide component of dutoprol", "Hydrochlorothiazide component of dyazide", "Hydrochlorothiazide component of esimil", "Hydrochlorothiazide component of exforge hct", "Hydrochlorothiazide component of h.r.-50", "Hydrochlorothiazide component of hydra-zide", "Hydrochlorothiazide component of hydralazine hydrochloride--reserpine", "Hydrochlorothiazide component of hydrap-es", "Hydrochlorothiazide component of hydro-reserp", "Hydrochlorothiazide component of hydro-ride", "Hydrochlorothiazide component of hydropres", "Hydrochlorothiazide component of hydroserpine plus (r-h-h)", "Hydrochlorothiazide component of hyzaar", "Hydrochlorothiazide component of ibersartan/ zentiva", "Hydrochlorothiazide component of ifirmacombi", "Hydrochlorothiazide component of irbesartan/ teva", "Hydrochlorothiazide component of irbesartan/-bms", "Hydrochlorothiazide component of kervezide", "Hydrochlorothiazide component of kinzalkomb", "Hydrochlorothiazide component of lopressor hct", "Hydrochlorothiazide component of lotensin hct", "Hydrochlorothiazide component of maxzide", "Hydrochlorothiazide component of micardis hct", "Hydrochlorothiazide component of micardisplus", "Hydrochlorothiazide component of moduretic", "Hydrochlorothiazide component of monopril hct", "Hydrochlorothiazide component of normozide", "Hydrochlorothiazide component of oreticyl forte", "Hydrochlorothiazide component of polycap", "Hydrochlorothiazide component of prinzide", "Hydrochlorothiazide component of pritorplus", "Hydrochlorothiazide component of quinaretic", "Hydrochlorothiazide component of rasitrio", "Hydrochlorothiazide component of riprazo", "Hydrochlorothiazide component of ser-a-gen", "Hydrochlorothiazide component of ser-ap-es", "Hydrochlorothiazide component of serpasil-esidrix", "Hydrochlorothiazide component of sprimeo-hct", "Hydrochlorothiazide component of tekturna hct", "Hydrochlorothiazide component of teveten hct", "Hydrochlorothiazide component of tolucombi", "Hydrochlorothiazide component of tribenzor", "Hydrochlorothiazide component of unipres", "Hydrochlorothiazide component of uniretic", "Hydrochlorothiazide component of vaseretic", "Hydrochlorothiazide component of viskazide", "Hydrochlorothiazide component of zestoretic", "Hydrochlorothiazide component of ziac", "Hydrochlorothiazide intensol", "Hydrodiuril", "Hydrosaluric", "Microzide", "Oretic", "Ziac", "Zide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1684", "category": ["biolink:ChemicalEntity"], "name": "BENDROFLUMETHIAZIDE", "xref": ["InChIKey:HDWIHXWEUNVBIY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O"], "synonym": ["Bendroflumethiazide", "Bendroflumethiazide", "Bendroflumethiazide", "Bendroflumethiazide", "Bendroflumetiazida", "Bendroflumethiazide", "Bendroflumethiazide", "NSC-758229", "Aprinox", "Bendroflumethiazide component of corzide", "Berkozide", "Centyl", "Naturetin", "Naturetin-10", "Naturetin-2.5", "Naturetin-5", "Neo-bendromax 2.5", "Neo-bendromax 5", "Neo-naclex", "Urizide"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1763", "category": ["biolink:ChemicalEntity"], "name": "HYDROFLUMETHIAZIDE", "xref": ["InChIKey:DMDGGSIALPNSEE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O"], "synonym": ["Hydroflumethiazide", "Hydroflumethiazide", "Hydroflumethiazide", "Hydroflumethiazide", "Hidroflumetiazida", "NSC-44627", "Diucardin", "Hydrenox", "Hydroflumethiazide", "Hydroflumethiazide component of salutensin", "Saluron"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1054", "category": ["biolink:ChemicalEntity"], "name": "TRICHLORMETHIAZIDE", "xref": ["InChIKey:LMJSLTNSBFUCMU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O"], "synonym": ["Trichlormethiazide", "Trichlormethiazide", "Trichlormethiazide", "Triclormetiazida", "Trichloromethiazide", "NSC-61560", "Metahydrin", "Naqua", "Trichlorex", "Trichlormas", "Trichlormethiazide", "Trichlormethiazide component of metatensin", "Trichlormethiazide component of naquival"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1055", "category": ["biolink:ChemicalEntity"], "name": "CHLORTHALIDONE", "xref": ["InChIKey:JIVPVXMEBJLZRO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl"], "synonym": ["Chlortalidone", "Chlortalidone", "Chlortalidone", "Chlorthalidone", "Chlortalidone", "Clortalidona", "Chlortalidone", "Chlorthalidone", "Chlortalidone", "Chlortalidonum", "Chlorthalidone", "Natriuran", "Phthalamudine", "G-33182", "NSC-69200", "Chlorthalidone", "Chlorthalidone component of clorpres", "Chlorthalidone component of combipres", "Chlorthalidone component of demi-regroton", "Chlorthalidone component of edarbyclor", "Chlorthalidone component of kerledex", "Chlorthalidone component of lopressidone", "Chlorthalidone component of regroton", "Chlorthalidone component of tenoretic", "Hygroton", "Thalitone", "Chlorthalidone", "Chlorthalidone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1587", "category": ["biolink:ChemicalEntity"], "name": "POLYTHIAZIDE", "xref": ["InChIKey:CYLWJCABXYDINA-UHFFFAOYSA-N", "SMILES:CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O"], "synonym": ["Polythiazide", "Polythiazide", "Polythiazide", "Polythiazide", "Polythiazide", "Politiazida", "Polythiazide", "NSC-108161", "P-2525", "Nephril", "Polythiazide component of minizide", "Polythiazide component of renese-r", "Renese", "Polythiazide", "Polythiazide"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3140361", "category": ["biolink:ChemicalEntity"], "name": "ETHAMBUTOL HYDROCHLORIDE", "xref": ["InChIKey:AUAHHJJRFHRVPV-BZDVOYDHSA-N", "SMILES:CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl"], "synonym": ["Ethambutol hydrochloride", "Ethambutol hydrochloride", "Ethambutol hydrochloride", "Ethambutol dihydrochloride", "Dadibutol", "Dexambutol", "Ebutol", "Etapiam", "Ethambutol dihydrochloride", "Ethambutol hcl", "Ethambutol hydrochloride", "Ethambutoli hydrochloridum", "Etibi", "Mycobutol", "Servambutol", "Tambutol", "Tibutol", "CL 40881", "CL-40881", "NSC-757022", "Ethambutol hydrochloride", "Myambutol", "Mynah 200", "Mynah 250", "Mynah 300", "Mynah 365", "Ethambutol hydrochloride", "Ethambutol hydrochloride"], "chembl_availability_type": "prescription only"}
{"name": "Probable arabinosyltransferase A", "xref": ["CHEMBL.TARGET:CHEMBL1877"], "id": "UniProtKB:P9WNL9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200776", "category": ["biolink:ChemicalEntity"], "name": "CINACALCET HYDROCHLORIDE", "xref": ["InChIKey:QANQWUQOEJZMLL-PKLMIRHRSA-N", "SMILES:C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl"], "synonym": ["Cinacalcet hydrochloride", "Cinacalcet hydrochloride", "Cinacalcet hydrochloride", "Cinacalcet hydrochloride", "Cinacalcet hydrochloride", "Cinacalcet hcl", "Cinacalcet hydrochloride", "AMG-073 HCL", "AMG073 HCL", "AMG073 HYDROCHLORIDE", "Cinacalcet accordpharma", "Cinacalcet mylan", "Mimpara", "Parareg", "Sensipar", "Cinacalcet hydrochloride", "Cinacalcet hydrochloride"], "chembl_availability_type": "prescription only"}
{"name": "Extracellular calcium-sensing receptor", "xref": ["CHEMBL.TARGET:CHEMBL1878"], "id": "UniProtKB:P41180", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prostaglandin E2 receptor EP2 subtype", "xref": ["CHEMBL.TARGET:CHEMBL1881"], "id": "UniProtKB:P43116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770", "category": ["biolink:ChemicalEntity"], "name": "LEVAMISOLE HYDROCHLORIDE", "xref": ["InChIKey:LAZPBGZRMVRFKY-HNCPQSOCSA-N", "SMILES:Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1"], "synonym": ["Levamisole hydrochloride", "Levamisole hydrochloride", "Levamisole hydrochloride", "Levamisole hydrochloride", "Ascaridil", "L-narpenol", "Levamisole hcl", "Levamisole hydrochloride", "Levamisoli hydrochloridum", "Spartakon l", "Tetramisole hydrochloride, (s)-", "NSC-177023", "R 12,564", "R 12654", "R-12564", "Ergamisol", "Ketrax", "Solaskil", "Levamisole hydrochloride", "Levamisole hydrochloride"], "chembl_availability_type": "withdrawn"}
{"name": "Nicotinic acetylcholine receptor alpha subunit", "xref": ["CHEMBL.TARGET:CHEMBL1884"], "id": "UniProtKB:O96760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6253"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181", "category": ["biolink:ChemicalEntity"], "name": "DIAZOXIDE", "xref": ["InChIKey:GDLBFKVLRPITMI-UHFFFAOYSA-N", "SMILES:CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1"], "synonym": ["Diazoxide", "Diazoxide", "Diazoxide", "Diazoxide", "Diazoxide", "Diazoxido", "Diazoxide", "Diazoxide", "Diazoxide", "Diazoxidum", "Eudemine injection", "Hypertonalum", "NSC-64198", "NSC-76130", "SCH 6783", "SCH-6783", "SRG 95213", "SRG-95213", "Diazoxide", "Eudemine", "Eudimine", "Hyperstat", "Mutabase", "Proglycem", "Diazoxide", "Diazoxide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "ATP-sensitive inward rectifier potassium channel 11", "xref": ["CHEMBL.TARGET:CHEMBL1886"], "id": "UniProtKB:Q14654", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vasopressin V1a receptor", "xref": ["CHEMBL.TARGET:CHEMBL1889"], "id": "UniProtKB:P37288", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311030", "category": ["biolink:ChemicalEntity"], "name": "ERGOLOID MESYLATES", "xref": ["InChIKey:PBKVEOSEPXMKDN-LZHUFOCISA-N", "SMILES:CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O"], "synonym": ["Ergoloid mesylates", "Co-dergocrine mesilate", "Co-dergocrine mesylate", "Co-dergocrine mesilate", "Ergoloid mesylates", "Dihydroergotoxine mesilate", "Ergoloid mesylates", "Codergocrine mesilate", "Dihydroergotoxine mesilate", "Dihydroergotoxine mesylate", "Dihydroergotoxine methanesulfonate", "Dihydrogenated ergot alkaloids", "Ergoloid mesilates", "Ergoloid mesylates", "Hydrogenated ergot alkaloids", "Alkergot", "Circanol", "Deapril", "Deapril-st", "Ergoloid mesylates", "Gerimal", "Hydergine", "Hydergine lc", "Hydrogenated ergot alkaloids", "Ergoloid mesylates", "Ergoloid mesylates"], "chembl_availability_type": "discontinued"}
{"name": "5-hydroxytryptamine receptor 1B", "xref": ["CHEMBL.TARGET:CHEMBL1898"], "id": "UniProtKB:P28222", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1185", "category": ["biolink:ChemicalEntity"], "name": "ZOLMITRIPTAN", "xref": ["InChIKey:ULSDMUVEXKOYBU-ZDUSSCGKSA-N", "SMILES:CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12"], "synonym": ["Zolmitriptan", "Zolmitriptan", "Zolmitriptan", "Zolmitriptan", "Zolmitriptan", "Zolmitriptan", "Zolmitriptan", "Cvt-427", "Zolmitriptan", "311-C-90", "311C90", "NSC-760383", "Zolmitriptan", "Zomig", "Zomig-zmt", "Zolmitriptan", "Zolmitriptan"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2138684", "category": ["biolink:ChemicalEntity"], "name": "FROVATRIPTAN SUCCINATE", "xref": ["InChIKey:CUETXFMONOSVJA-KLQYNRQASA-N", "SMILES:CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.O.O=C(O)CCC(=O)O"], "synonym": ["Frovatriptan succinate", "Frovatriptan succinate monohydrate", "Frovatriptan succinate", "Frovatriptan succinate hydrate", "Frovatriptan succinate monohydrate", "Frovelan", "Miguard", "NSC-760422", "SB 209509 AX", "SB 209509-AX", "SB-209509-AX", "SB-209509AX", "VML 251", "VML-251", "Frova", "Frovatriptan succinate", "Frovatriptan succinate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200601", "category": ["biolink:ChemicalEntity"], "name": "NARATRIPTAN HYDROCHLORIDE", "xref": ["InChIKey:AWEZYKMQFAUBTD-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.Cl"], "synonym": ["Naratriptan hydrochloride", "Naratriptan hydrochloride", "Naratriptan hydrochloride", "Naratriptan hydrochloride", "Naratriptan hcl", "Naratriptan hydrochloride", "GR 85548A", "GR-85548A", "Amerge", "Naramig", "Naratriptan hydrochloride", "Naratriptan hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201032", "category": ["biolink:ChemicalEntity"], "name": "RIZATRIPTAN BENZOATE", "xref": ["InChIKey:JPRXYLQNJJVCMZ-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1"], "synonym": ["Rizatriptan benzoate", "Rizatriptan benzoate", "Rizatriptan benzoate", "Rizafilm", "Rizatriptan benzoate", "MK-0462", "NSC-758919", "Maxalt", "Maxalt-mlt", "Rizafilm", "Rizatriptan benzoate", "Rizatriptan benzoate", "Rizatriptan benzoate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL128", "category": ["biolink:ChemicalEntity"], "name": "SUMATRIPTAN", "xref": ["InChIKey:KQKPFRSPSRPDEB-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1"], "synonym": ["Sumatriptan", "Sumatriptan", "Sumatriptan", "Sumatriptan", "Sumatriptan", "Dfn-11", "Dfn-11 (sumatriptan injection)", "Sumatriptan", "N02CC01", "Imitrex", "Sumatriptan", "Tosymra"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201150", "category": ["biolink:ChemicalEntity"], "name": "SUMATRIPTAN SUCCINATE", "xref": ["InChIKey:PORMUFZNYQJOEI-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)CCC(=O)O"], "synonym": ["Sumatriptan succinate", "Sumatriptan succinate", "Sumatriptan succinate", "Sumatriptan succinate", "Sumatriptan (as succinate)", "Sumatriptan galpharm", "Sumatriptan succinate", "Treximet", "GR 43175C", "GR-43175C", "NSC-760362", "Alsuma", "Imigran", "Imigran 50", "Imigran radis", "Imigran recovery", "Imigran subject", "Imitrex", "Imitrex statdose", "Migraitan", "Migraleve ultra", "Onzetra xsail", "Sumatriptan succinate", "Sumatriptan succinate component of treximet", "Sumavel dosepro", "Zecuity", "Zembrace symtouch", "Sumatriptan succinate", "Sumatriptan succinate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2368924", "category": ["biolink:ChemicalEntity"], "name": "DOLASETRON MESYLATE", "xref": ["InChIKey:QTFFGPOXNNGTGZ-LIFGOUTFSA-N", "SMILES:CS(=O)(=O)O.O.O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12"], "synonym": ["Dolasetron mesilate", "Dolasetron mesylate", "Dolasetron methanesulfonate", "Dolasetron mesilate monohydrate", "Dolasetron mesylate", "Dolasetron mesylate anhydrous", "Dolasetron mesylate monohydrate", "Dolasetron methanesulfonate", "MDL 73,147EF", "MDL-73147EF", "Anzemet", "Dolasetron mesylate", "Dolasetron mesylate"], "chembl_availability_type": "discontinued"}
{"name": "5-hydroxytryptamine receptor 3A", "xref": ["CHEMBL.TARGET:CHEMBL1899"], "id": "UniProtKB:P46098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46", "category": ["biolink:ChemicalEntity"], "name": "ONDANSETRON", "xref": ["InChIKey:FELGMEQIXOGIFQ-UHFFFAOYSA-N", "SMILES:Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O"], "synonym": ["Ondansetron", "Ondansetron", "Ondansetron", "Ondansetron", "Ondansetron", "Desmethylondansetron", "Ondansetron", "A04AA01", "EUR-1025", "GR-38032", "NSC-757870", "Ondansetron", "Zofran odt", "Zuplenz"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237080", "category": ["biolink:ChemicalEntity"], "name": "GRANISETRON HYDROCHLORIDE", "xref": ["InChIKey:QYZRTBKYBJRGJB-UHFFFAOYSA-N", "SMILES:CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl"], "synonym": ["Granisetron hydrochloride", "Granisetron hydrochloride", "Granisetron hydrochloride", "Granisetron hydrochloride", "Bema granisetron", "Granisetron (as hydrochloride)", "Granisetron hcl", "Granisetron hydrochloride", "BRL 43694A", "BRL-43694A", "NSC-759839", "Granisetron hydrochloride", "Granisetron hydrochloride preservative free", "Granisol", "Granisteron hydrochloride", "Kytril", "Granisetron hydrochloride", "Granisetron hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL289469", "category": ["biolink:ChemicalEntity"], "name": "GRANISETRON", "xref": ["InChIKey:MFWNKCLOYSRHCJ-UHFFFAOYSA-N", "SMILES:CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2"], "synonym": ["Granisetron", "Granisetron", "Granisetron", "Granisetron", "Granisetron", "Granisetron", "Granisetron", "Granisetron", "Granisetron", "APF-530", "APF530", "BRL 43694", "BRL-43694", "LY-278584", "Sancuso", "Sustol", "Granisetron", "Granisetron"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1720", "category": ["biolink:ChemicalEntity"], "name": "PALONOSETRON HYDROCHLORIDE", "xref": ["InChIKey:OLDRWYVIKMSFFB-SSPJITILSA-N", "SMILES:Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2"], "synonym": ["Palonosetron hydrochloride", "Palonosetron hydrochloride", "Palonosetron hydrochloride", "Palonosetron hydrochloride", "Palonosetron hydrochloride", "Palonocetron hydrochloride", "Palonosetron (as hydrochloride)", "Palonosetron hcl", "Palonosetron hydrochloride", "RS-25259-197", "Aloxi", "Palonosetron accord", "Palonosetron hospira", "Palonosetron hydrochloride", "Palonosetron hydrochloride component of akynzeo", "Posfrea", "Palonosetron hydrochloride", "Palonosetron hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3186492", "category": ["biolink:ChemicalEntity"], "name": "ONDANSETRON HYDROCHLORIDE", "xref": ["InChIKey:VRSLTNZJOUZKLX-UHFFFAOYSA-N", "SMILES:Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O"], "synonym": ["Ondansetron hydrochloride", "Ondansetron hydrochloride", "Ondansetron hydrochloride", "Ondansetron hydrochloride hydrate", "Ondansetron hydrochloride", "Ondansetron hydrochloride dihydrate", "Odansetron hydrochloride", "Ondansetron (as hydrochloride)", "Ondansetron hcl", "Ondansetron hydrochloride", "Ondansetron hydrochloride dihydrate", "Ondansetron hydrochloride hydrate", "Ondansetron monohydrochloride", "Zophren", "GR 38032F", "GR-38032F", "GR-C507/75", "NSC-665799", "SN 307", "SN-307", "Demorem", "Ondansetron hydrochloride", "Ondansetron hydrochloride preservative free", "Ondemet", "Setofilm", "Zofran", "Zofran preservative free", "Ondansetron hydrochloride", "Ondansetron hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200885", "category": ["biolink:ChemicalEntity"], "name": "ALOSETRON HYDROCHLORIDE", "xref": ["InChIKey:FNYQZOVOVDSGJH-UHFFFAOYSA-N", "SMILES:Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O.Cl"], "synonym": ["Alosetron hydrochloride", "Alosetron hydrochloride", "Alosetron hcl", "Alosetron hydrochloride", "Lotrpnex", "GR 68755C", "GR-68755C", "Alosetron hydrochloride", "Lotronex", "Alosetron hydrochloride", "Alosetron hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200755", "category": ["biolink:ChemicalEntity"], "name": "CERULETIDE DIETHYLAMINE", "xref": ["InChIKey:FHDKSYKZXIFRKJ-CBCFNHQSSA-N", "SMILES:CCNCC.CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "synonym": ["Ceruletide diethylamine", "Ceruletide diethylamine", "Ceruletide diethylamine salt", "Caerulein diethylamine", "Ceosunin", "Ceruletide diethylamine salt", "Takus", "Tymtran", "Ceruletide diethylamine"], "chembl_availability_type": "discontinued"}
{"name": "Cholecystokinin receptor type A", "xref": ["CHEMBL.TARGET:CHEMBL1901"], "id": "UniProtKB:P32238", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201182", "category": ["biolink:ChemicalEntity"], "name": "TEMSIROLIMUS", "xref": ["InChIKey:CBPNZQVSJQDFBE-FUXHJELOSA-N", "SMILES:CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"], "synonym": ["Temsirolimus", "Temsirolimus", "Temsirolimus", "Temsirolimus", "Temsirolimus", "Temsirolimus", "Temsirolimus", "Temsirolimus", "CCI-779", "Torisel", "Temsirolimus"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Peptidyl-prolyl cis-trans isomerase FKBP1A", "xref": ["CHEMBL.TARGET:CHEMBL1902"], "id": "UniProtKB:P62942", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413", "category": ["biolink:ChemicalEntity"], "name": "SIROLIMUS", "xref": ["InChIKey:QFJCIRLUMZQUOT-HPLJOQBZSA-N", "SMILES:CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"], "synonym": ["Sirolimus", "Sirolimus", "Sirolimus", "Sirolimus", "Sirolimus", "Sirolimus", "Sirolimus", "Rapamycin", "(-)-rapamycin", "Fyarro", "Hyftor", "Npc-12g", "Rapalimus", "Rapamycin", "Sirolimus", "AY-22989", "L04AA10", "NSC-226080", "SIROLIMUS COMPONENT OF SM-88", "WY-090217", "Fyarro", "Hyftor", "Rapamune", "Sirolimus", "Sirolimus component of nab-rapamycin  rapamycin", "Sirolimus", "Sirolimus"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1908360", "category": ["biolink:ChemicalEntity"], "name": "EVEROLIMUS", "xref": ["InChIKey:HKVAMNSJSFKALM-GKUWKFKPSA-N", "SMILES:CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"], "synonym": ["Everolimus", "Everolimus", "Everolimus", "Everolimus", "Everolimus", "Everolimus", "Everolimus", "40-o-(2-hydroxyethyl)-rapamycin", "42-o-(2-hydroxyethyl)rapamycin", "Everolimus", "Rapamycin, 42-o-(2-hydroxyethyl)-", "Sdz rad", "RAD 666", "RAD-001", "RAD-666", "RAD001", "SDZ-RAD", "Afinitor", "Afinitor disperz", "Certican", "Votubia", "Zortress", "Everolimus", "Everolimus"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200686", "category": ["biolink:ChemicalEntity"], "name": "PIMECROLIMUS", "xref": ["InChIKey:KASDHRXLYQOAKZ-XDSKOBMDSA-N", "SMILES:CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC"], "synonym": ["Pimecrolimus", "Pimecrolimus", "Pimecrolimus", "Pimecrolimus", "Pimecrolimus", "Pimecrolimus", "Pimecrolimus", "(-)-pimecrolimus", "Pimecrolimus", "SDZ ASM 981", "SDZ ASM-981", "SDZ-ASM 981", "SDZ-ASM-981", "Elidel", "Pimecrolimus"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989887", "category": ["biolink:ChemicalEntity"], "name": "TACROLIMUS", "xref": ["InChIKey:NWJQLQGQZSIBAF-MLAUYUEBSA-N", "SMILES:C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC.O"], "synonym": ["Tacrolimus", "Tacrolimus", "Tacrolimus", "Tacrolimus", "Tacrolimus monohydrate", "Tacrolimus", "Tacrolimus", "Tacrolimus hydrate", "Tacrolimus", "Tacrolimus hydrate", "Tacrolimus monohydrate", "FK 506", "FK-506", "FK506", "FR-900506", "FR900506", "NSC-758659", "Adoport", "Advagraf", "Astagraf xl", "Capexion", "Envarsus", "Envarsus xr", "Modigraf", "Perixis", "Prograf", "Protopic", "Protopy", "Tacforius", "Tacni", "Tacrolimus", "Vivadex", "Tacrolimus"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "RAF proto-oncogene serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL1906"], "id": "UniProtKB:P04049", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200485", "category": ["biolink:ChemicalEntity"], "name": "SORAFENIB TOSYLATE", "xref": ["InChIKey:IVDHYUQIDRJSTI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1"], "synonym": ["Sorafenib tosylate", "Sorafenib tosylate", "Sorafenib tosilate", "Sorafenib tosylate", "Sorafenib tosilate", "Sorafenib tosylate", "BAY 54-9085", "BAY-54-9085", "Nexavar", "Sorafenib accord", "Sorafenib tosylate", "Sorafenib tosylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1580", "category": ["biolink:ChemicalEntity"], "name": "PENTOSTATIN", "xref": ["InChIKey:FPVKHBSQESCIEP-JQCXWYLXSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O"], "synonym": ["Pentostatin", "Pentostatin", "Pentostatin", "Pentostatin", "Pentostatin", "Pentostatine", "Pentostatina", "Pentostatin", "Pentostatin", "Deoxycoformycin", "Pentostatin", "CI-825", "NSC-218321", "PD 81565", "PD-81565", "YK-176", "Nipent", "Pentostatin", "Pentostatin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Adenosine deaminase", "xref": ["CHEMBL.TARGET:CHEMBL1910"], "id": "UniProtKB:P00813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105613", "category": ["biolink:ChemicalEntity"], "name": "DIVALPROEX SODIUM", "xref": ["InChIKey:MSRILKIQRXUYCT-UHFFFAOYSA-M", "SMILES:CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+]"], "synonym": ["Semisodium valproate", "Semisodium valproate", "Divalproex sodium", "Valproate semisodium", "Valproate semisodique", "Valproato semisodico", "Valproic acid sodium salt (2:1)", "Divalproex", "Divalproex sodium", "Valproate semisodium", "ABBOTT 50711", "ABBOTT-50711", "Depakote", "Depakote cp", "Depakote er", "Divalproex sodium", "Divalproex sodium", "Divalproex sodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Succinate-semialdehyde dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL1911"], "id": "UniProtKB:P51649", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL433", "category": ["biolink:ChemicalEntity"], "name": "VALPROATE SODIUM", "xref": ["InChIKey:AEQFSUDEHCCHBT-UHFFFAOYSA-M", "SMILES:CCCC(CCC)C(=O)[O-].[Na+]"], "synonym": ["Sodium valproate", "Valproate sodium", "Sodium valproate", "Valproic acid sodium salt (1:1)", "Natrii valproas", "Selenica", "Sodium 2-propylpentanoate", "Valproate sodium", "Valproic acid, sodium", "Valproic acid, sodium salt", "A-44090", "ABBOTT 44090", "ABBOTT-44090", "KW-6066N", "NSC-732626", "NSC-757376", "Delepsine", "Depacon", "Depakine", "Epilim", "Epilim 200", "Epilim 500", "Epilim chrono 200", "Epilim chrono 300", "Epilim chrono 500", "Epilim chronosphere", "Epilim iv", "Episenta", "Kentilim", "Orfiril", "Orlept", "Valproate sodium", "Valproate sodium", "Valproate sodium"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL109", "category": ["biolink:ChemicalEntity"], "name": "VALPROIC ACID", "xref": ["InChIKey:NIJJYAXOARWZEE-UHFFFAOYSA-N", "SMILES:CCCC(CCC)C(=O)O"], "synonym": ["Valproic acid", "Valproic acid", "Valproic acid", "Valproic acid", "Valproic acid", "Acide valproique", "Acido valproico", "Valproic acid", "Pentanoic acid, 2-propyl", "Valproate", "Valproic acid", "Valproic acid extended release", "44089", "NSC-93819", "Convulex", "Depakene", "Depakote", "Stavzor", "Valproic acid", "Valproic acid", "Valproic acid"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1118", "category": ["biolink:ChemicalEntity"], "name": "DESVENLAFAXINE", "xref": ["InChIKey:KYYIDSXMWOZKMP-UHFFFAOYSA-N", "SMILES:CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1"], "synonym": ["Desvenlafaxine", "Desvenlafaxine", "Desvenlafaxine", "Desvenlafaxina", "Desvenlafaxine", "D-veniz", "Desvenlafaxine", "Mdd-xr", "Newven", "O-desmethylvenlafaxine", "O-desmethylvenlafaxine (odv)", "Odv", "Desvenlafaxine", "Khedezla", "Desvenlafaxine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Sodium-dependent serotonin transporter", "xref": ["CHEMBL.TARGET:CHEMBL228"], "id": "UniProtKB:P31645", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067650", "category": ["biolink:ChemicalEntity"], "name": "PAROXETINE HYDROCHLORIDE", "xref": ["InChIKey:MQZOATSIFWSKKT-OASXIEIISA-N", "SMILES:Cl.Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1.O"], "synonym": ["Paroxetine hydrochloride", "Paroxetine hydrochloride", "Paroxetine hydrochloride hydrate", "Paroxetine hydrochloride anhydrous", "Paroxetine hydrochloride hemihydrate", "Paroxetine hydrochloride", "Paroxetine hydrochloride hemihydrate", "BRL29060A", "NSC-758654", "Aropax", "Deroxat", "Paroxetine hydrochloride", "Paxil", "Paxil cr", "Seroxat", "Paroxetine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200322", "category": ["biolink:ChemicalEntity"], "name": "ESCITALOPRAM OXALATE", "xref": ["InChIKey:KTGRHKOEFSJQNS-BDQAORGHSA-N", "SMILES:CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O"], "synonym": ["Escitalopram oxalate", "Escitalopram oxalate", "Escitalopram oxalate", "Citalopram oxalate, (s)-", "Escitalopram (as oxalate)", "Escitalopram oxalate", "LU 26-054-0", "LU-26-054-0", "LU-26-054-O", "NSC-758934", "Escitalopram oxalate", "Lexapro", "Escitalopram oxalate", "Escitalopram oxalate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200710", "category": ["biolink:ChemicalEntity"], "name": "CLOMIPRAMINE HYDROCHLORIDE", "xref": ["InChIKey:WIMWMKZEIBHDTH-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl"], "synonym": ["Clomipramine hydrochloride", "Clomipramine hydrochloride", "Clomipramine hydrochloride", "Clomipramine hydrochloride", "Clomipramine hydrochloride", "Clomipramine hcl", "Clomipramine hydrochloride", "G 34586", "G-34586", "NSC-759323", "Anafranil", "Anafranil sr", "Clomicalm", "Clomipramine hydrochloride", "Tranquax", "Clomipramine hydrochloride", "Clomipramine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200781", "category": ["biolink:ChemicalEntity"], "name": "CITALOPRAM HYDROBROMIDE", "xref": ["InChIKey:WIHMBLDNRMIGDW-UHFFFAOYSA-N", "SMILES:Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"], "synonym": ["Citalopram hydrobromide", "Citalopram hydrobromide", "Citalopram hydrobromide", "Citalopram (as hydrobromide)", "Citalopram hbr", "Citalopram hydrobromide", "LU 10-171-B", "LU-10-171-B", "NSC-758684", "Celexa", "Cipramil", "Citalopram hydrobromide", "Paxoran", "Citalopram hydrobromide", "Citalopram hydrobromide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1409", "category": ["biolink:ChemicalEntity"], "name": "FLUVOXAMINE MALEATE", "xref": ["InChIKey:LFMYNZPAVPMEGP-PIDGMYBPSA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Fluvoxamine maleate", "Fluvoxamine maleate", "Fluvoxamine maleate", "Fluvoxamine maleate", "Faverin", "Fevarin", "Fluvoxamine hydrogenmaleate", "Fluvoxamine maleate", "DU-23000", "DU23000", "NSC-759602", "Faverin 100", "Faverin 50", "Floxyfral", "Fluvoxamine maleate", "Luvox", "Luvox cr", "Fluvoxamine maleate", "Fluvoxamine maleate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1709", "category": ["biolink:ChemicalEntity"], "name": "SERTRALINE HYDROCHLORIDE", "xref": ["InChIKey:BLFQGGGGFNSJKA-XHXSRVRCSA-N", "SMILES:CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl"], "synonym": ["Sertraline hydrochloride", "Sertraline hydrochloride", "Sertraline hydrochloride", "Sertraline hydrochloride", "Sertraline (as hydrochloride)", "Sertraline hcl", "Sertraline hydrochloride", "CP-51,974-1", "CP-51974-1", "NSC-746308", "NSC-758948", "Aremis", "Besitron", "Lustral", "Sertraline hydrochloride", "Zoloft", "Sertraline hydrochloride", "Sertraline hydrochloride"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200609", "category": ["biolink:ChemicalEntity"], "name": "PAROXETINE MESYLATE", "xref": ["InChIKey:SHIJTGJXUHTGGZ-RVXRQPKJSA-N", "SMILES:CS(=O)(=O)O.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1"], "synonym": ["Paroxetine mesylate", "Paroxetine methanesulfonate", "Mesafem", "Paroxetine mesilate", "Paroxetine mesylate", "Paroxetine methanesulphonate", "PO-T.MES", "POT.MES", "Brisdelle", "Pexeva", "Paroxetine mesylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201082", "category": ["biolink:ChemicalEntity"], "name": "FLUOXETINE HYDROCHLORIDE", "xref": ["InChIKey:GIYXAJPCNFJEHY-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl"], "synonym": ["Fluoxetine hydrochloride", "Fluoxetine hydrochloride", "Fluoxetine hydrochloride", "Fluoxetine hydrochloride", "Fluoxetine hydrochloride", "Adofen", "Fluctin", "Fluneurin", "Fluox-puren", "Fluoxeren", "Fluoxetine (as hydrochloride)", "Fluoxetine hydrochloride", "Flusol", "Fluxet", "Fontex", "Foxetin", "Lovan", "Reconcile", "LY-110140", "LY110140", "Felicium", "Fluoxetine hydrochloride", "Fluoxetine hydrochloride component of symbyax", "Olena", "Oxactin", "Prozac", "Prozac 60", "Prozac weekly", "Prozep", "Prozit", "Ranflutin", "Reconcile", "Sarafem", "Selfemra", "Fluoxetine hydrochloride", "Fluoxetine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200595", "category": ["biolink:ChemicalEntity"], "name": "CHLORPHENTERMINE HYDROCHLORIDE", "xref": ["InChIKey:WEJDYJKJPUPMLH-UHFFFAOYSA-N", "SMILES:CC(C)(N)Cc1ccc(Cl)cc1.Cl"], "synonym": ["Chlorphentermine hydrochloride", "Chlorphentermine hcl", "Chlorphentermine hydrochloride", "NSC-76098", "S-62", "W 2426", "W-2426", "Pre-sate", "Chlorphentermine hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1615374", "category": ["biolink:ChemicalEntity"], "name": "VILAZODONE HYDROCHLORIDE", "xref": ["InChIKey:RPZBRGFNBNQSOP-UHFFFAOYSA-N", "SMILES:Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1"], "synonym": ["Vilazodone hydrochloride", "Vilazodone hydrochloride", "Vilazodone hcl", "Vilazodone hydrochloride", "EMD 68 843", "EMD-68843", "SB-659746-A", "SB659746-A", "Viibryd", "Vilazodone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200798", "category": ["biolink:ChemicalEntity"], "name": "TRAZODONE HYDROCHLORIDE", "xref": ["InChIKey:OHHDIOKRWWOXMT-UHFFFAOYSA-N", "SMILES:Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12"], "synonym": ["Trazodone hydrochloride", "Trazodone hydrochloride", "Trazodone hydrochloride", "Trazodone hydrochloride", "Trazodone hcl", "Trazodone hydrochloride", "AF-1161", "NSC-292811", "Desyrel", "Molipaxin", "Molipaxin cr", "Oleptro", "Trazodone hydrochloride", "Trialodine", "Trazodone hydrochloride", "Trazodone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201066", "category": ["biolink:ChemicalEntity"], "name": "VENLAFAXINE HYDROCHLORIDE", "xref": ["InChIKey:QYRYFNHXARDNFZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl"], "synonym": ["Venlafaxine hydrochloride", "Venlafaxine hydrochloride", "Venlafaxine hydrochloride", "Venlafaxine (as hydrochloride)", "Venlafaxine hcl", "Venlafaxine hydrochloride", "NSC-745751", "WY-45,030", "WY-45030", "Effexor", "Effexor xr", "Venlafaxine hydrochloride", "Venlafaxine hydrochloride", "Venlafaxine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200964", "category": ["biolink:ChemicalEntity"], "name": "AMITRIPTYLINE HYDROCHLORIDE", "xref": ["InChIKey:KFYRPLNVJVHZGT-UHFFFAOYSA-N", "SMILES:CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl"], "synonym": ["Amitriptyline hydrochloride", "Amitriptyline hydrochloride", "Amitriptyline hydrochloride", "Amitriptyline hcl", "Amitriptyline hydrochloride", "Amitriptylini hydrochloridum", "Etravil", "Novoprotect", "Syneudon", "NIH 10794", "NSC-104210", "Amitid", "Amitril", "Amitriptyline hydrochloride", "Amitriptyline hydrochloride component of etrafon-a", "Amitriptyline hydrochloride component of limbitrol", "Amitriptyline hydrochloride component of limbitrol ds", "Cytriptyline", "Domical", "Elavil", "Endep", "Lentizol", "Limbitrol 5", "Saroten", "Saroten retard", "Triptafen", "Triptafen-m", "Tryptizol", "Tryptizol-75"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1113", "category": ["biolink:ChemicalEntity"], "name": "AMOXAPINE", "xref": ["InChIKey:QWGDMFLQWFTERH-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2"], "synonym": ["Amoxapine", "Amoxapine", "Amoxapine", "Amoxapine", "Amoxapine", "Amoxapina", "Amoxapine", "CL 67,772", "CL 67772", "CL-67,772", "CL-67772", "NSC-759559", "Amoxapine", "Asendin", "Asendis", "Defanyl", "Amoxapine", "Amoxapine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201728", "category": ["biolink:ChemicalEntity"], "name": "DESVENLAFAXINE SUCCINATE", "xref": ["InChIKey:ORUUBRMVQCKYHB-UHFFFAOYSA-N", "SMILES:CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O"], "synonym": ["Desvenlafaxine succinate", "Desvenlafaxine succinate hydrate", "Desvenlafaxine succinate anhydrous", "Desvenlafaxine succinate monohydrate", "Desvenlafaxine succinate", "Desvenlafaxine succinate hydrate", "Desvenlafaxine succinate monohydrate", "Dvs anhydrous", "O-desmethyl venlafaxine succinate", "O-desmethylvenlafaxine succinate", "DVS-233", "WY-45233", "WY45233", "Desvenlafaxine succinate", "Pristiq", "Desvenlafaxine succinate", "Desvenlafaxine succinate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200328", "category": ["biolink:ChemicalEntity"], "name": "DULOXETINE HYDROCHLORIDE", "xref": ["InChIKey:BFFSMCNJSOPUAY-LMOVPXPDSA-N", "SMILES:CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl"], "synonym": ["Duloxetine hydrochloride", "Duloxetine hydrochloride", "Duloxetine hydrochloride", "Duloxetine hydrochloride", "Duloxetine hydrochloride", "Ariclaim", "Duloxetine (as hydrochloride)", "Duloxetine hcl", "Duloxetine hydrochloride", "Duloxetine mylan", "Xeristar", "LY-248686 HCL", "LY248686 HCL", "NSC-759112", "Ariclaim", "Cymbalta", "Drizalma sprinkle", "Duciltia", "Duloxetine boehringer ingelheim", "Duloxetine hydrochloride", "Duloxetine lilly", "Duloxetine mylan", "Duloxetine zentiva", "Nodetrip (previously xeristar)", "Yentreve", "Duloxetine hydrochloride", "Duloxetine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1692", "category": ["biolink:ChemicalEntity"], "name": "IMIPRAMINE HYDROCHLORIDE", "xref": ["InChIKey:XZZXIYZZBJDEEP-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl"], "synonym": ["Imipramine hydrochloride", "Imipramine hydrochloride", "Imipramine hydrochloride", "Imidobenzyle", "Imipramine hcl", "Imipramine hydrochloride", "Imipramini hydrochloridum", "Imizine", "Pryleugan", "G-22355", "NSC-114900", "Imipramine hydrochloride", "Janimine", "Pramine", "Praminil", "Presamine", "Sarimp", "Tofranil", "Imipramine hydrochloride rs"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989845", "category": ["biolink:ChemicalEntity"], "name": "IMIPRAMINE PAMOATE", "xref": ["InChIKey:BPQZYOJIXDMZSX-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2CCc2ccccc21.CN(C)CCCN1c2ccccc2CCc2ccccc21.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O"], "synonym": ["Imipramine pamoate", "Imipramine embonate", "Imipramine pamoate", "Tofranil-pm"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297064", "category": ["biolink:ChemicalEntity"], "name": "MILNACIPRAN HYDROCHLORIDE", "xref": ["InChIKey:XNCDYJFPRPDERF-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)C1(c2ccccc2)CC1CN.Cl"], "synonym": ["Milnacipran hydrochloride", "Milnacipran hydrochloride", "Milnacipran hydrochloride", "Milnacipran hcl", "Milnacipran hydrochloride", "NSC-759806", "Dalcipran", "Ixel", "Milnacipran hydrochloride", "Savella", "Toledomin", "Milnacipran hydrochloride", "Milnacipran hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200492", "category": ["biolink:ChemicalEntity"], "name": "NEFAZODONE HYDROCHLORIDE", "xref": ["InChIKey:DYCKFEBIOUQECE-UHFFFAOYSA-N", "SMILES:CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl"], "synonym": ["Nefazodone hydrochloride", "Nefazodone hydrochloride", "Nefazodone hcl", "Nefazodone hydrochloride", "BMY 13754", "BMY-13754", "MJ 13,754-1", "MJ-13754-1", "NSC-760344", "Dutonin", "Nefazodone hydrochloride", "Serzone", "Nefazodone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201156", "category": ["biolink:ChemicalEntity"], "name": "NORTRIPTYLINE HYDROCHLORIDE", "xref": ["InChIKey:SHAYBENGXDALFF-UHFFFAOYSA-N", "SMILES:CNCCC=C1c2ccccc2CCc2ccccc21.Cl"], "synonym": ["Nortriptyline hydrochloride", "Nortriptyline hydrochloride", "Nortriptyline hydrochloride", "Nortriptyline hcl", "Nortriptyline hydrochloride", "38489", "NSC-169453", "Aventyl", "Aventyl hydrochloride", "Nortriptyline hydrochloride", "Pamelor", "Psychostyl", "Nortriptyline hydrochloride", "Nortriptyline hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200332", "category": ["biolink:ChemicalEntity"], "name": "PROTRIPTYLINE HYDROCHLORIDE", "xref": ["InChIKey:OGQDIIKRQRZXJH-UHFFFAOYSA-N", "SMILES:CNCCCC1c2ccccc2C=Cc2ccccc21.Cl"], "synonym": ["Protriptyline hydrochloride", "Protriptyline hydrochloride", "Protriptyline hcl", "Protriptyline hydrochloride", "MK-240", "NSC-169912", "Concordin-10", "Concordin-5", "Protriptyline hydrochloride", "Vivactil", "Protriptyline hydrochloride", "Protriptyline hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Platelet-derived growth factor receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL1913"], "id": "UniProtKB:P09619", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Somatostatin receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL1917"], "id": "UniProtKB:P30872", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vasopressin V1b receptor", "xref": ["CHEMBL.TARGET:CHEMBL1921"], "id": "UniProtKB:P47901", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1715", "category": ["biolink:ChemicalEntity"], "name": "PIOGLITAZONE HYDROCHLORIDE", "xref": ["InChIKey:GHUUBYQTCDQWRA-UHFFFAOYSA-N", "SMILES:CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl"], "synonym": ["Pioglitazone hydrochloride", "Pioglitazone hydrochloride", "Pioglitazone hydrochloride", "Pioglitazone hydrochloride", "Pioglitazone hydrochloride", "Pioglitazone (as hydrochloride)", "Pioglitazone hcl", "Pioglitazone hydrochloride", "Piomed", "NSC-758876", "STR-001", "U-72107A", "Actos", "Diabiom", "Glidipion", "Glidipion (previously pioglitazone actavis group)", "Glizofar", "Glustin", "Paglitaz", "Pioglitazone accord", "Pioglitazone actavis", "Pioglitazone hydrochloride", "Pioglitazone hydrochloride component of actoplus met", "Pioglitazone hydrochloride component of duetact", "Pioglitazone hydrochloride component of oseni", "Pioglitazone krka", "Pioglitazone teva", "Pioglitazone teva pharma", "Poze", "Sepioglin", "Pioglitazone hydrochloride", "Pioglitazone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Peroxisome proliferator-activated receptor gamma", "xref": ["CHEMBL.TARGET:CHEMBL235"], "id": "UniProtKB:P37231", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL843", "category": ["biolink:ChemicalEntity"], "name": "ROSIGLITAZONE MALEATE", "xref": ["InChIKey:SUFUKZSWUHZXAV-BTJKTKAUSA-N", "SMILES:CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Rosiglitazone maleate", "Rosiglitazone maleate", "Rosiglitazone maleate", "Rosiglitazone maleate", "Rosiglitazone maleate", "Rosiglitzazone maleate", "BRL-49653-C", "BRL-49653C", "NSC-717764", "Avandia", "Rosiglitazone maleate", "Rosiglitazone maleate component of avandamet", "Rosiglitazone maleate component of avandaryl", "Rosiglitazone maleate", "Rosiglitazone maleate"], "chembl_black_box_warning": "True", "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL408", "category": ["biolink:ChemicalEntity"], "name": "TROGLITAZONE", "xref": ["InChIKey:GXPHKUHSUJUWKP-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2"], "synonym": ["Troglitazone", "Troglitazone", "Troglitazone", "Troglitazone", "Troglitazone", "Troglitazona", "Troglitazone", "Troglitazone", "Troglitazone", "CI-991", "CS-045", "GR-92132X", "GR92132X", "Prelay", "Rezulin", "Romozin", "Troglitazone"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201488", "category": ["biolink:ChemicalEntity"], "name": "SECRETIN SYNTHETIC HUMAN", "synonym": ["Secretin synthetic human", "Secretin human", "Secretine humaine", "Secretina humana", "Human secretin", "Secretin (human)", "Secretin (human), acetate (salt)", "Secretin acetate human", "Secretin human acetate", "Secretin human pentaacetate", "Secretin synthetic human", "Synthetic human secretin", "Chirhostim"], "chembl_availability_type": "prescription only"}
{"name": "Secretin receptor", "xref": ["CHEMBL.TARGET:CHEMBL1925"], "id": "UniProtKB:P47872", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201616", "category": ["biolink:ChemicalEntity"], "name": "SECRETIN SYNTHETIC PORCINE", "synonym": ["Secretin synthetic porcine", "Porcine secretin acetate salt", "Secretin (swine), acetate (salt)", "Secretin porcine pentaacetate", "Secretin synthetic porcine", "RG-1068", "Secreflo", "Secrepan", "Sekretolin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067494", "category": ["biolink:ChemicalEntity"], "name": "SECRETIN", "synonym": ["Secretin", "Secretin", "Secretin", "Secretin", "Secretin", "Secretine", "Secretina", "Secretin", "Secretin", "Secretin", "Secretin (human, porcine, etc.)", "Secretin, unspecified", "Secretin-ferring", "Secretin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201745", "category": ["biolink:ChemicalEntity"], "name": "CHOLINE FENOFIBRATE", "xref": ["InChIKey:JWAZHODZSADEHB-UHFFFAOYSA-M", "SMILES:CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-].C[N+](C)(C)CCO"], "synonym": ["Choline fenofibrate", "Choline fenofibrate", "Choline fenofibrate", "Fenofibrate de choline", "Fenofibrato de colina", "Fenofibric acid choline salt", "Choline fenofibrate", "ABT-335", "Trilipix", "Choline fenofibrate", "Choline fenofibrate"], "chembl_availability_type": "prescription only"}
{"name": "Peroxisome proliferator-activated receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL239"], "id": "UniProtKB:Q07869", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457", "category": ["biolink:ChemicalEntity"], "name": "GEMFIBROZIL", "xref": ["InChIKey:HEMJJKBWTPKOJG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1"], "synonym": ["Gemfibrozil", "Gemfibrozil", "Gemfibrozil", "Gemfibrozil", "Gemfibrozil", "Gemfibrozilo", "Gemfibrozil", "Gemfibrozil", "Gemfibrozil", "CI-719", "NSC-757024", "Emfib", "Gemfibrozil", "Lopid", "Gemfibrozil", "Gemfibrozil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL672", "category": ["biolink:ChemicalEntity"], "name": "FENOFIBRATE", "xref": ["InChIKey:YMTINGFKWWXKFG-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1"], "synonym": ["Fenofibrate", "Fenofibrate", "Fenofibrate", "Fenofibrate", "Fenofibrate", "Fenofibrato", "Fenofibrate", "Fenofibrate", "Fenofibrate", "Fenofibrate delayed release", "Fenofibrate micronized", "NSC-281319", "Antara", "Antara (micronized)", "Fenofibrate", "Fenofibrate (micronized)", "Fenogal", "Fenoglide", "Lipantil", "Lipantil micro 200", "Lipantil micro 267", "Lipantil micro 67", "Lipidil", "Lipofen", "Supralip 160", "Tricor", "Tricor (micronized)", "Triglide", "Fenofibrate", "Fenofibrate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL565", "category": ["biolink:ChemicalEntity"], "name": "CLOFIBRATE", "xref": ["InChIKey:KNHUKKLJHYUCFP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1"], "synonym": ["Clofibrate", "Clofibrate", "Clofibrate", "Clofibrate", "Clofibrate", "Clofibrato", "Clofibrate", "Clofibrate", "Chlorfenisate", "Clofibrate", "Ethyl p-chlorophenoxyisobutyrate", "AY-61123", "ICI 28257", "ICI-28257", "NSC-79389", "Atromid", "Atromid-s", "Clofibrate", "Clofibrate", "Clofibrate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL981", "category": ["biolink:ChemicalEntity"], "name": "FENOFIBRIC ACID", "xref": ["InChIKey:MQOBSOSZFYZQOK-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O"], "synonym": ["Fenofibric acid", "Fenofibrate free acid", "Fenofibric acid", "Procetofenic acid", "LF-153", "NSC-281318", "Fenocor-67", "Fibricor", "Lipanthyl", "Lofibra", "Supralip", "Fenofibrate related compound b", "Fenofibric acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5483015", "category": ["biolink:ChemicalEntity"], "name": "ARSENIC TRIOXIDE", "xref": ["InChIKey:MOQADKPFYVWPSE-UHFFFAOYSA-N", "SMILES:O=[As][As+](=O)[O-]"], "synonym": ["Arsenic trioxide", "Arsenic trioxide", "Arsenic trioxide", "Arsenic trioxide", "Arsenic trioxide", "Arseneous anhydride", "Arseneous oxide", "Arsenic oxide", "Arsenic oxide (as4o6)", "Arsenic sesquioxide", "Arsenic trioxide", "Arsenicum album", "Arsenous oxide", "Diarsenic trioxide", "Tetraarsenic hexaoxide", "White arsenic", "NSC-759274", "NSC-92859", "Arsenic trioxide accord", "Arsenic trioxide medac", "Arsenic trioxide mylan", "Trisenox", "Arsenic trioxide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Thioredoxin reductase 1, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL1927"], "id": "UniProtKB:Q16881", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200477", "category": ["biolink:ChemicalEntity"], "name": "ALLOPURINOL SODIUM", "xref": ["InChIKey:PTJRZVJXXNYNLN-UHFFFAOYSA-M", "SMILES:O=c1[n-]cnc2[nH]ncc12.[Na+]"], "synonym": ["Allopurinol sodium", "Allopurinol sodium salt", "Allopurinol sodium", "NSC-108836", "Allopurinol sodium", "Aloprim"], "chembl_availability_type": "prescription only"}
{"name": "Xanthine dehydrogenase/oxidase", "xref": ["CHEMBL.TARGET:CHEMBL1929"], "id": "UniProtKB:P47989", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164729", "category": ["biolink:ChemicalEntity"], "name": "FEBUXOSTAT", "xref": ["InChIKey:BQSJTQLCZDPROO-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O"], "synonym": ["Febuxostat", "Febuxostat", "Febuxostat", "Febuxostat", "Febuxostat", "Febuxostat", "Febuxostat", "Febuxostat", "NSC-758874", "TMX-67", "Adenuric", "Febuxostat krka", "Febuxostat mylan", "Febuxostat viatris (previously febuxostat mylan)", "Uloric", "Febuxostat"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1467", "category": ["biolink:ChemicalEntity"], "name": "ALLOPURINOL", "xref": ["InChIKey:OFCNXPDARWKPPY-UHFFFAOYSA-N", "SMILES:Oc1ncnc2[nH]ncc12"], "synonym": ["Allopurinol", "Allopurinol", "Allopurinol", "Allopurinol", "Allopurinol", "Alopurinol", "Allopurinol", "Allopurinol", "Allopurinol", "Allopurinolum", "Suspendol", "Takanarumin", "BW 56-158", "BW-56-158", "NSC-101655", "NSC-1390", "Allopurinol", "Allopurinol component of duzallo", "Aloral", "Aluline 100", "Aluline 300", "Caplenal", "Cosuric", "Hamarin 100", "Hamarin 300", "Ledopur", "Lopurin", "Uricto", "Xanthomax-100", "Xanthomax-300", "Zyloprim", "Zyloric", "Zyloric-300", "Allopurinol", "Allopurinol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1465", "category": ["biolink:ChemicalEntity"], "name": "PHENPROCOUMON", "xref": ["InChIKey:DQDAYGNAKTZFIW-UHFFFAOYSA-N", "SMILES:CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O"], "synonym": ["Phenprocoumon", "Phenprocoumon", "Phenprocoumon", "Phenprocoumon", "Phenprocoumon", "Phenprocoumone", "Fenprocumon", "Phenprocoumon", "Fencumar", "Marcumar", "Phenprocoumarol", "Phenprocoumarole", "Phenprocoumon", "Phenprocumone", "BS-7565", "RO-1-4849", "Liquamar", "Marcoumar", "Phenprocoumon", "Phenprocoumon"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Vitamin K epoxide reductase complex subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL1930"], "id": "UniProtKB:Q9BQB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL711", "category": ["biolink:ChemicalEntity"], "name": "PHENINDIONE", "xref": ["InChIKey:NFBAXHOPROOJAW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)C1c1ccccc1"], "synonym": ["Phenindione", "Phenindione", "Phenindione", "Phenindione", "Fenindiona", "Phenindione", "Danilone", "Phenindione", "NSC-41693", "Dindevan", "Hedulin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1466", "category": ["biolink:ChemicalEntity"], "name": "DICUMAROL", "xref": ["InChIKey:DOBMPNYZJYQDGZ-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O"], "synonym": ["Dicoumarol", "Dicoumarol", "Dicumarol", "Dicoumarol", "Dicumarol", "Bishydroxycoumarin", "Dicoumarolum", "NSC-17860", "NSC-221570", "NSC-41834", "Dicumarol", "Dicumarol", "Dicumarol"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200772", "category": ["biolink:ChemicalEntity"], "name": "WARFARIN POTASSIUM", "xref": ["InChIKey:WSHYKIAQCMIPTB-UHFFFAOYSA-M", "SMILES:CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[K+]"], "synonym": ["Warfarin potassium", "Potassium warfarin", "Warfarin potassium", "Warfarin-potassium", "Athrombin-k"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200879", "category": ["biolink:ChemicalEntity"], "name": "WARFARIN SODIUM", "xref": ["InChIKey:KYITYFHKDODNCQ-UHFFFAOYSA-M", "SMILES:CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Na+]"], "synonym": ["Warfarin sodium", "Warfarin sodium", "Warfarin sodium salt", "Aldocumar", "Apo-warfarin", "Prothromadin", "Sodium warfarin", "Warfarin sodium", "Warfarinum natricum", "Zoocoumarin sodium salt", "Athrombin", "Coumadin", "Jantoven", "Marevan", "Panwarfin", "Warfarin sodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL964", "category": ["biolink:ChemicalEntity"], "name": "DISULFIRAM", "xref": ["InChIKey:AUZONCFQVSMFAP-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=S)SSC(=S)N(CC)CC"], "synonym": ["Disulfiram", "Disulfiram", "Disulfiram", "Disulfiram", "Disulfirame", "Disulfiram", "Disulfiram", "NSC-25953", "ORA-102", "ORA102", "Antabuse", "Disulfiram", "Esperal"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Aldehyde dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL1935"], "id": "UniProtKB:P05091", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mast/stem cell growth factor receptor Kit", "xref": ["CHEMBL.TARGET:CHEMBL1936"], "id": "UniProtKB:P10721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256907", "category": ["biolink:ChemicalEntity"], "name": "MARAVIROC", "xref": ["InChIKey:GSNHKUDZZFZSJB-QUMGSSFMSA-N", "SMILES:Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1"], "synonym": ["Maraviroc", "Maraviroc", "Maraviroc", "Maraviroc", "Maraviroc", "Maraviroc", "Maraviroc", "Maraviroc", "Rel-maraviroc", "Uk-427,857", "UK-427857", "Celsentri", "Selzentry"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "C-C chemokine receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL274"], "id": "UniProtKB:P51681", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL36", "category": ["biolink:ChemicalEntity"], "name": "PYRIMETHAMINE", "xref": ["InChIKey:WKSAUQYGYAYLPV-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1"], "synonym": ["Pyrimethamine", "Pyrimethamine", "Pyrimethamine", "Pyrimethamine", "Pirimetamina", "Pyrimethamine", "Chloridine", "Pyrimethamine", "Pyrimethaminum", "GNF-PF-5586", "NSC-3061", "RP-4753", "TCMDC-123831", "TCMDC-125860", "WR-2978", "Daraprim", "Malacide", "Pyrimethamine component of fansidar"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Bifunctional dihydrofolate reductase-thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL1939"], "id": "UniProtKB:P13922", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5839"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989825", "category": ["biolink:ChemicalEntity"], "name": "CYCLOGUANIL PAMOATE", "xref": ["InChIKey:LUNRMKZYOGNOTR-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O"], "synonym": ["Cycloguanil embonate", "Cycloguanil embonate", "Cycloguanil embonate", "Embonate de cycloguanil", "Embonato de cicloguanil", "Chloroguanide triazine pamoate", "Cycloguanil embonate", "Cycloguanil pamoate", "CI-501", "CN-14,329-23A", "CN-14329-23A", "NSC-77830", "PAM-MR-807-23A", "Cycloguanil pamoate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201059", "category": ["biolink:ChemicalEntity"], "name": "PROGUANIL HYDROCHLORIDE", "xref": ["InChIKey:SARMGXPVOFNNNG-UHFFFAOYSA-N", "SMILES:CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl"], "synonym": ["Proguanil hydrochloride", "Proguanil hydrochloride", "Proguanil hydrochloride", "Chlorguanide hydrochloride", "Chloroguanide hydrochloride", "Chloroquanil", "Diguanyl", "Drinupal", "Guanatol", "Palusil", "Proguanil hcl", "Proguanil hydrochloride", "Proguanili hydrochloridum", "336-U-50", "336U50", "GW AH7673A", "GW-AH7673A", "GWAH7673A", "M-4888", "NSC-12977", "NSC-26614", "RP-3359", "SN-12837", "Paludrine", "Proguanil hydrochloride component of malarone", "Proguanil hydrochloride component of malarone pediatric", "Proguanil hydrochloride", "Chloroguanide hydrochloride", "Proguanil hydrochloride"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL902", "category": ["biolink:ChemicalEntity"], "name": "FAMOTIDINE", "xref": ["InChIKey:XUFQPHANEAPEMJ-UHFFFAOYSA-N", "SMILES:NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1"], "synonym": ["Famotidine", "Famotidine", "Famotidine", "Famotidine", "Famotidine", "Famotidina", "Famotidine", "Famotidine", "Amfamox", "Fadul", "Famodil", "Famosan", "Famotidine", "Famoxal", "Ganor", "Gastridin", "Gastropen", "Lecedil", "Motiax", "Muclox", "Pepcidac", "Pepdine", "Pepdul", "L 643341", "MK-208", "NSC-757810", "YM-11170", "Famotidine", "Famotidine component of duexis", "Famotidine component of pepcid complete", "Famotidine preservative free", "Famotidine preservative free (pharmacy bulk)", "Fluxid", "Gaster", "Pepcid", "Pepcid ac", "Pepcid ac (geltab)", "Pepcid preservative free", "Pepcid rpd", "Pepcidine", "Famotidine", "Famotidine"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"name": "Histamine H2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL1941"], "id": "UniProtKB:P25021", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201051", "category": ["biolink:ChemicalEntity"], "name": "CIMETIDINE HYDROCHLORIDE", "xref": ["InChIKey:QJHCNBWLPSXHBL-UHFFFAOYSA-N", "SMILES:CN/C(=N\\CCSCc1nc[nH]c1C)NC#N.Cl"], "synonym": ["Cimetidine hydrochloride", "Cimetidine hcl", "Cimetidine hydrochloride", "Cimetidine hydrochloride", "Tagamet", "Cimetidine hydrochloride", "Cimetidine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200949", "category": ["biolink:ChemicalEntity"], "name": "BETAZOLE HYDROCHLORIDE", "xref": ["InChIKey:HLJRAERMLKNULP-UHFFFAOYSA-N", "SMILES:Cl.NCCc1cc[nH]n1"], "synonym": ["Betazole hydrochloride", "Betazole dihydrochloride", "Betazole dihydrochloride", "Betazole hcl", "NSC-759872", "Histalog"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3183075", "category": ["biolink:ChemicalEntity"], "name": "NIZATIDINE", "xref": ["InChIKey:SGXXNSQHWDMGGP-UHFFFAOYSA-N", "SMILES:CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1"], "synonym": ["Nizatidine", "Nizatidine", "Nizatidine", "Nizatidine", "Nizatidine", "Nizatidina", "Nizatidine", "Nizatidine", "Acinon", "Nizatidine", "LY 139037", "LY-139037", "NSC-759289", "Axid", "Axid ar", "Nizatidine", "Zinga 150", "Zinga 300", "Nizatidine", "Nizatidine"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL2110372", "category": ["biolink:ChemicalEntity"], "name": "RANITIDINE HYDROCHLORIDE", "xref": ["InChIKey:GGWBHVILAJZWKJ-UHFFFAOYSA-N", "SMILES:CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl"], "synonym": ["Ranitidine hydrochloride", "Ranitidine hydrochloride", "Ranitidine hydrochloride", "Ranitidine hcl", "Ranitidine hydrochloride", "Taladine", "AH 19065", "AH-19065", "Azantac", "Dumoran", "Gavilast", "Gavilast-p", "Histac", "Raciran 150", "Raciran 300", "Ranicalm", "Raniplex", "Ranitic", "Ranitidine hydrochloride", "Ranitil", "Rantec", "Ranzac", "Vivatak", "Zaedoc 150", "Zaedoc 300", "Zantac", "Zantac 150", "Zantac 25", "Zantac 300", "Zantac 75", "Zantac 75 dissolve", "Zantac 75 relief", "Zantac 75 relief dissolve"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL30", "category": ["biolink:ChemicalEntity"], "name": "CIMETIDINE", "xref": ["InChIKey:AQIXAKUUQRKLND-UHFFFAOYSA-N", "SMILES:CN/C(=N\\CCSCc1nc[nH]c1C)NC#N"], "synonym": ["Cimetidine", "Cimetidine", "Cimetidine", "Cimetidine", "Cimetidine", "Cimetidina", "Cimetidine", "Cimetidine", "Aciloc", "Acinil", "Brumetidina", "Cimal", "Cimetidine", "Cimetidinum", "Gastromet", "Stomedine", "Ulcedin", "Ulcimet", "Ulcomedina", "NSC-335308", "SKF-92334", "Acid-eze", "Acitak 200", "Acitak 400", "Acitak 800", "Brumetadina", "Cimetidine", "Dyspamet", "Galenamet", "Kentamet", "Peptimax 200", "Peptimax 400", "Peptimax 800", "Tagadine", "Tagamet", "Tagamet 100", "Tagamet hb", "Tagamet hb 200", "Ultec", "Valmagen", "Zita", "Cimetidine", "Cimetidine"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL2111286", "category": ["biolink:ChemicalEntity"], "name": "RANITIDINE BISMUTH CITRATE", "xref": ["InChIKey:XAUTYMZTJWXZHZ-UHFFFAOYSA-K", "SMILES:CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3]"], "synonym": ["Ranitidine bismuth citrate", "Ranitidine bismuth citrate", "Ranitidine bismutrex", "Ranitidine bismuth citrate", "Ranitidine bismuth citrate", "Ranitidine bismuth citrate", "Ranitidine bismuth citrate", "Ranitidine bismutrex", "GR 122311X", "GR-122311X", "Pylorid", "Tritec", "Ranitidine bismuth citrate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200988", "category": ["biolink:ChemicalEntity"], "name": "METHANTHELINE BROMIDE", "xref": ["InChIKey:PQMWYJDJHJQZDE-UHFFFAOYSA-M", "SMILES:CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21.[Br-]"], "synonym": ["Methantheline bromide", "Methanthelinium bromide", "Bromure de methanthelinium", "Bromuro de metantelinio", "Methantheline bromide", "Vagantin", "NSC-32145", "Banthine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL227529", "category": ["biolink:ChemicalEntity"], "name": "ALOGLIPTIN BENZOATE", "xref": ["InChIKey:KEJICOXJTRHYAK-XFULWGLBSA-N", "SMILES:Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1"], "synonym": ["Alogliptin benzoate", "Alogliptin benzoate", "Alogliptin benzoate", "Alogliptin benzoate", "Alogliptin (as benzoate)", "Alogliptin benzoate", "SYR 322", "SYR-322", "Alogliptin benzoate component of kazano", "Alogliptin benzoate component of oseni", "Nesina", "Vipidia", "Alogliptin benzoate"], "chembl_availability_type": "prescription only"}
{"name": "Dipeptidyl peptidase 4", "xref": ["CHEMBL.TARGET:CHEMBL284"], "id": "UniProtKB:P27487", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201174", "category": ["biolink:ChemicalEntity"], "name": "SITAGLIPTIN PHOSPHATE", "xref": ["InChIKey:GQPYTJVDPQTBQC-KLQYNRQASA-N", "SMILES:N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O"], "synonym": ["Sitagliptin phosphate", "Sitagliptin phosphate", "Sitagliptin phosphate hydrate", "Sitagliptin monophosphate anhydrous", "Sitagliptin monophosphate monohydrate", "Glactiv", "Sitagliptin monophosphate", "Sitagliptin phosphate", "Sitagliptin phosphate anhydrous", "Sitagliptin phosphate hydrate", "Sitagliptin phosphate monohydrate", "MK-0431", "MK0431", "ONO-5435", "Janumet xr", "Januvia", "Ristaben", "Sitagliptin phosphate component of janumet", "Sitagliptin phosphate component of juvisync", "Sitagliptin phosphate component of steglujan", "Sitagliptin phosphate component of stelujan", "Tesavel", "Xelevia", "Sitagliptin phosphate", "Sitagliptin phosphate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL237500", "category": ["biolink:ChemicalEntity"], "name": "LINAGLIPTIN", "xref": ["InChIKey:LTXREWYXXSTFRX-QGZVFWFLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C"], "synonym": ["Linagliptin", "Linagliptin", "Linagliptin", "Linagliptin", "Linagliptin", "Linagliptine", "Linagliptina", "Linagliptin", "Linagliptin", "Linagliptin", "Trazenta", "BI 1356", "BI 1356 BS", "BI-1356", "BI-1356-BS", "BI-1356BS", "BI1356", "BS 1356 BS", "BS-1356-BS", "Linagliptin component of glyxambi", "Linagliptin component of jentadueto", "Linagliptin component of trijardy xr", "Tradjenta", "Trajenta", "Linagliptin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201743", "category": ["biolink:ChemicalEntity"], "name": "SAXAGLIPTIN HYDROCHLORIDE", "xref": ["InChIKey:TUAZNHHHYVBVBR-NHKADLRUSA-N", "SMILES:Cl.N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2"], "synonym": ["Saxagliptin hydrochloride", "Saxagliptin hydrochloride", "Saxagliptin hcl", "Saxagliptin hydrochloride", "Onglyza", "Saxagliptin hydrochloride component of kombiglyze", "Saxagliptin hydrochloride component of qtern", "Saxagliptin hydrochloride component of qternmet xr"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200399", "category": ["biolink:ChemicalEntity"], "name": "BUSPIRONE HYDROCHLORIDE", "xref": ["InChIKey:RICLFGYGYQXUFH-UHFFFAOYSA-N", "SMILES:Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1"], "synonym": ["Buspirone hydrochloride", "Buspirone hydrochloride", "Buspirone hydrochloride", "Buspirone hydrochloride", "Buspirone hcl", "Buspirone hydrochloride", "APD-405", "APD405", "MJ 9022-1", "MJ-9022-1", "NSC-751138", "NSC-759571", "Buspar", "Buspirone hydrochloride", "Buspirone hydrochloride", "Buspirone hydrochloride"], "chembl_availability_type": "prescription only"}
{"name": "5-hydroxytryptamine receptor 1A", "xref": ["CHEMBL.TARGET:CHEMBL214"], "id": "UniProtKB:P08908", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160", "category": ["biolink:ChemicalEntity"], "name": "CYCLOSPORINE", "xref": ["InChIKey:PMATZTZNYRCHOR-CGLBZJNRSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "synonym": ["Ciclosporin", "Ciclosporin", "Ciclosporin", "Ciclosporin", "Cyclosporine", "Cyclosporine", "Ciclosporin", "Ciclosporine", "Ciclosporina", "Ciclosporin", "Cyclosporin a", "Atopica", "Ciclosporin", "Ciclosporin a", "Ciclosporinum", "Cyclosporin", "Cyclosporin a", "Cyclosporine", "Cyclosporine a", "Cyclosporine microemulsion", "Cyclosporine, modified", "Equoral", "Mitogard", "Neoplanta", "Neurostat", "Ramihyphin a", "Vevye", "Zinograf me", "27-400", "ANTIBIOTIC S-7481F1", "NSC-290193", "OL-27-400", "SANG-35", "SDZ-OXL-400", "Capimune", "Capsorin", "Cequa", "Cyclosporine", "Deximune", "Gengraf", "Ikervis", "Neoral", "Optimmune", "Restasis", "Restasis multidose", "Sandimmun", "Sandimmune", "Sangcya", "Vanquoral", "Verkazia", "Vevye", "Cyclosporine", "Cyclosporine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Peptidyl-prolyl cis-trans isomerase A", "xref": ["CHEMBL.TARGET:CHEMBL1949"], "id": "UniProtKB:P62937", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201414", "category": ["biolink:ChemicalEntity"], "name": "TINZAPARIN SODIUM", "synonym": ["Tinzaparin sodium", "Tinzaparin sodium", "Tinzaparin sodium", "Tinzaparin sodium", "Tinzaparine sodique", "Tinzaparina de sodio", "Tinzaparin na", "Tinzaparin sodium", "Tinzaparin sodium, porcine", "LNH-1", "LNH1", "Innohep", "Logiparin", "Tinzaparin sodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"name": "Antithrombin-III", "xref": ["CHEMBL.TARGET:CHEMBL1950"], "id": "UniProtKB:P01008", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201476", "category": ["biolink:ChemicalEntity"], "name": "ENOXAPARIN SODIUM", "synonym": ["Enoxaparin", "Enoxaparin sodium", "Enoxaparin", "Enoxaparin sodium", "Enoxaparin sodium", "Enoxaparin sodium", "Enoxaparine sodique", "Enoxaparina de sodio", "Enoxaparin sodium", "Enoxaparin sodium salt", "Enoxaparin", "Enoxaparin sodium", "Klexane", "PK 10169", "PK-10169", "RP 54563", "RP-54563", "Clexane", "Enoxaparin sodium", "Enoxaparin sodium (preservative free)", "Inhixa", "Lovenox", "Lovenox (preservative free)", "Thorinane", "Enoxaparin sodium", "Enoxaparin sodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201460", "category": ["biolink:ChemicalEntity"], "name": "DALTEPARIN SODIUM", "synonym": ["Dalteparin", "Dalteparin sodium", "Dalteparin sodium", "Dalteparin sodium", "Dalteparin sodium", "Dalteparine sodique", "Dalteparina de sodio", "Dalteparin sodium", ".alpha.-heparin", "Boxol", "Dalteparin sodium", "Fragmine", "Low-liquemine", "B01AB04", "FR-860", "HEPARIN FRAGMENT KABI 2165", "KABI-2165", "Fragmin", "Low liquemine", "Dalteparin sodium", "Dalteparin sodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201534", "category": ["biolink:ChemicalEntity"], "name": "DANAPAROID SODIUM", "synonym": ["Danaparoid", "Danaparoid sodium", "Danaparoid sodium", "Danaparoid sodium", "Danaparoid sodium", "Danaparoide sodique", "Danaparoide de sodio", "Danaparoid sodium", "Danaparoid sodium", "Sodium danaparoid", "ORG 10172", "ORG-10172", "Orgaran", "Danaparoid sodium"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201657", "category": ["biolink:ChemicalEntity"], "name": "HEPARIN SODIUM", "synonym": ["Heparin sodium", "Heparin sodium", "Heparin sodium", "Heparine sodique", "Heparina de sodio", "Crude heparin", "Crude heparin porcine", "Heparin sodium", "Heparin sodium porcine", "Heparin sodium unfractionated", "Heparin sodium, porcine", "Heparinum natricum", "Liquemin sodium", "S01XA14", "Heparin lock flush", "Heparin sodium", "Heparin sodium component of defencath", "Heparin sodium component of embolex", "Heparin sodium preservative free", "Lipo-hepin", "Liquaemin lock flush", "Liquaemin sodium", "Liquaemin sodium preservative free", "Multiparin", "Panheprin", "Pump-hep", "Sodium heparin", "Thrombophob", "Unihep", "Uniparin", "Uniparin fte", "Heparin sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201513", "category": ["biolink:ChemicalEntity"], "name": "HEPARIN CALCIUM", "synonym": ["Heparin calcium", "Heparin calcium", "Heparin calcium", "Heparin calcium salt", "Ecasolv", "Heparin calcium", "Heparinum calcicum", "Calciparine", "Uniparin ca"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201448", "category": ["biolink:ChemicalEntity"], "name": "ARDEPARIN SODIUM", "synonym": ["Ardeparin sodium", "Ardeparin sodium", "Ardeparine sodique", "Ardeparina de sodio", "Ardeparin sodium salt", "RD-11885", "WY-90493 RD", "WY-90493-RD", "Normiflo", "Ardeparin sodium"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200644", "category": ["biolink:ChemicalEntity"], "name": "FONDAPARINUX SODIUM", "xref": ["InChIKey:XEKSTYNIJLDDAZ-JASSWCPGSA-D", "SMILES:CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)[O-])[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Fondaparinux sodium", "Fondaparinux sodium", "Fondaparinux sodium", "Fondaparinux sodium", "Fondaparinux sodium", "Fondaparinux sodique", "Fondaparinux sodico", "Fondaparinux sodium", "Fondaparinux sodium", "Fondaparin sodium", "Fondaparinux sodium", "Quixidar", "IC-851589", "ORG 31540", "ORG-31540", "SR 90107A", "SR 90107A DECASODIUM SALT", "SR-90107A", "SR-90107A DECASODIUM SALT", "Arixtra", "Fondaparinux sodium", "Quixidar", "Fondaparinux sodium", "Fondaparinux sodium", "Fondaparinux sodium for assay", "Fondaparinux sodium identification"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL917", "category": ["biolink:ChemicalEntity"], "name": "FLOXURIDINE", "xref": ["InChIKey:ODKNJVUHOIMIIZ-RRKCRQDMSA-N", "SMILES:O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F"], "synonym": ["Floxuridine", "Floxuridine", "Floxuridine", "Floxuridine", "Floxuridina", "Floxuridine", "5-fluoro-2-deoxyuridine", "5-fudr", "Floxuridine", "Fluoruridine deoxyribose", "FUDR", "NSC-27640", "F.u.d.r.", "Floxuridine", "Fudr", "Floxuridine", "Floxuridine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL1952"], "id": "UniProtKB:P04818", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2360464", "category": ["biolink:ChemicalEntity"], "name": "PEMETREXED DISODIUM", "xref": ["InChIKey:NYDXNILOWQXUOF-GXKRWWSZSA-L", "SMILES:Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1.[Na+].[Na+]"], "synonym": ["Pemetrexed disodium", "Pemetrexed disodium", "Pemetrexed sodium hydrate", "Pemetrexed sodium salt", "Pemetrexed disodium", "Pemetrexed disodium heptahydrate", "Pemetrexed sodium hydrate", "LY-231514 DISODIUM SALT", "LY231514 DISODIUM SALT", "Alimta", "Pemetrexed baxter", "Pemetrexed lilly", "Pemetrexed sandoz", "Pemetrexed disodium", "Pemetrexed disodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1773", "category": ["biolink:ChemicalEntity"], "name": "CAPECITABINE", "xref": ["InChIKey:GAGWJHPBXLXJQN-UORFTKCHSA-N", "SMILES:CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F"], "synonym": ["Capecitabine", "Capecitabine", "Capecitabine", "Capecitabine", "Capecitabine", "Capecitabine", "Capecitabina", "Capecitabine", "Capecitabine", "Capecitabine", "Capecitabine accord", "Capecitabine medac", "Capecitabine sun", "Capecitabine teva", "Capecitibine", "Capecytabine", "Capiibine", "Captabin", "Ecansya", "NSC-759853", "RO 09-1978/000", "RO-09-1978000", "RO-091978000", "Ro-09-1978-000", "Capecitabine", "Capecitabine accord", "Capecitabine component of xeliri  capecitibine", "Capecitabine component of xelox", "Capecitabine medac", "Capecitabine sun", "Capecitabine teva", "Ecansya (previously capecitabine krka)", "Xeloda", "Capecitabine", "Capecitabine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL185", "category": ["biolink:ChemicalEntity"], "name": "FLUOROURACIL", "xref": ["InChIKey:GHASVSINZRGABV-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(F)c(=O)[nH]1"], "synonym": ["Fluorouracil", "Fluorouracil", "Fluorouracil", "Fluorouracil", "Fluorouracil", "Fluorouracilo", "Fluorouracil", "Fluorouracil", "5-fluorouracil", "5-fluoruracil", "Fluorouracil", "Fluorouracilum", "Fluorouricil", "Fluracil", "Phthoruracil", "Queroplex", "5 FU", "5-FU", "NSC-19893", "RO 2-9757", "RO-2-9757", "RO-29757", "5.f.u.", "Accusite", "Actikerall", "Adrucil", "Carac", "Efudex", "Efudix", "Fluoro-uracil roche", "Fluoroplex", "Fluorouracil", "Fluorouracil component of folfox", "Tolak", "Fluorouracil", "Fluorouracil"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201717", "category": ["biolink:ChemicalEntity"], "name": "MECASERMIN RINFABATE", "synonym": ["Mecasermin rinfabate", "Mecasermin rinfabate recombinant", "Mecasermin rinfabate", "Mecasermine rinfabate", "Mecasermina rinfabato", "Mecasermin rinfabate", "Mecasermin rinfabate", "RHIGF-I/RHIGFBP-3", "Mecasermin rinfabate"], "chembl_availability_type": "discontinued"}
{"name": "Insulin-like growth factor 1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL1957"], "id": "UniProtKB:P08069", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201716", "category": ["biolink:ChemicalEntity"], "name": "MECASERMIN", "synonym": ["Mecasermin", "Mecasermin", "Mecasermin", "Mecasermin", "Mecasermin recombinant", "Mecasermin", "Mecasermine", "Mecasermina", "Mecasermin", "Insulin-like growth factor i", "Mecasermin", "Cg-gf2", "Cg-igf-1", "Igf-1-ec", "Igf-1ec", "Insulin-like growth factor 1", "Mecasermin", "Mechano growth factor", "Pv-802", "Pv802", "Rh-oligopeptide-2", "Sh-oligopeptide-2", "Somatomedin c", "Somatomedin c, human", "Vexxon-igf-1", "CEP-151", "Bio-fd&c igf1", "Increlex", "Myotrophin", "Nexpure plant-made igf-1", "Mecasermin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201570", "category": ["biolink:ChemicalEntity"], "name": "ANAKINRA", "synonym": ["Anakinra", "Anakinra", "Anakinra", "Anakinra", "Anakinra", "Anakinra", "Interleukin-1 receptor antagonist anakinra", "Alta-2530", "Alta2530", "Anakinra", "Osp-101", "AMG-719", "R-METHUIL-1RA", "Antril", "Kineret", "Anakinra"], "chembl_availability_type": "prescription only"}
{"name": "Interleukin-1 receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL1959"], "id": "UniProtKB:P14778", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201533", "category": ["biolink:ChemicalEntity"], "name": "THYROTROPIN ALFA", "synonym": ["Thyrotropin alfa", "Thyrotropin alfa", "Thyrotropin alfa", "Thyrotropin alfa", "Thyrotropin alfa", "Thyrotropine alfa", "Tirotropina alfa", "Thyrotropin alfa", "Thyrotropin alfa", "Thyrotropin alpha", "GX-30", "Thyrogen", "Thyrotropin alfa"], "chembl_availability_type": "prescription only"}
{"name": "Thyrotropin receptor", "xref": ["CHEMBL.TARGET:CHEMBL1963"], "id": "UniProtKB:P16473", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201532", "category": ["biolink:ChemicalEntity"], "name": "THYROTROPIN", "synonym": ["Thyrotropin", "Thyrotrophin", "Thyrotrophin", "Thyrotrophine", "Tirotrofina", "Thyrotropin", "Thyrotrophin", "Thyrotropin", "Thyrotropin (bovine)", "Thytropar"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201610", "category": ["biolink:ChemicalEntity"], "name": "CORTICOTROPIN", "synonym": ["Corticotropin", "Corticotropin", "Corticotropin", "Repository corticotropin", "Corticotropin", "Corticotropine", "Corticotropina", "Adrenocorticotrophin", "Adrenocorticotropic hormone", "Corticotrophin", "Corticotropin", "Corticotropin (acth)", "Corticotropin in gelatin matrix", "Corticotropin, repository", "Cortigel", "Cortrophin", "Acth", "Acthar", "Acthar gel", "Acthar gel (autoinjector)", "Adrenocorticotropin", "Adrenomone", "Corticotropin", "H.p. acthar gel", "Purified cortrophin gel"], "chembl_availability_type": "prescription only"}
{"name": "Adrenocorticotropic hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL1965"], "id": "UniProtKB:Q01718", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201609", "category": ["biolink:ChemicalEntity"], "name": "CORTICOTROPIN ZINC HYDROXIDE", "synonym": ["Corticotropin-zinc hydroxide", "Corticotropin zinc hydroxide", "Corticotropine hydroxyde de zinc", "Corticotropina hidroxido de zinc", "Cortrophin-zinc"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103784", "category": ["biolink:ChemicalEntity"], "name": "COSYNTROPIN", "xref": ["InChIKey:ZOEFCCMDUURGSE-SQKVDDBVSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C"], "synonym": ["Tetracosactide", "Tetracosactide", "Tetracosactide", "Cosyntropin", "Tetracosactide", "Tetracosactida", "Tetracosactide acetate", "Cosyntropin", "Cosyntropin hexaacetate", "Corticotropin tetracosapeptide", "Cosyntropin", "Cosyntropin acetate", "Cosyntropin hexaacetate", "Tetracosactide", "Tetracosactide acetate", "Tetracosactide hexaacetate", "Tetracosactide hexacetate", "Tetracosactrin", "Vicotrope", "Cortrosyn", "Cosyntropin", "Synacthen", "Synacthen depot", "Cosyntropin", "Cosyntropin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201489", "category": ["biolink:ChemicalEntity"], "name": "SERACTIDE ACETATE", "synonym": ["Seractide acetate hydrate", "Seractide acetate"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL960", "category": ["biolink:ChemicalEntity"], "name": "LEFLUNOMIDE", "xref": ["InChIKey:VHOGYURTWQBHIL-UHFFFAOYSA-N", "SMILES:Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1"], "synonym": ["Leflunomide", "Leflunomide", "Leflunomide", "Leflunomide", "Leflunomide", "Leflunomide", "Leflunomida", "Leflunomide", "Leflunomide", "Leflunomide", "Leflunomide medac", "Leflunomide ratiopharm", "Leflunomide teva", "Leflunomide winthrop", "Repso", "HWA-486", "L04AA13", "NSC-677411", "NSC-759864", "SU-101", "SU101", "SULOL", "Arava", "Leflunomide", "Leflunomide medac", "Leflunomide ratiopharm", "Leflunomide teva", "Leflunomide zentiva (previously leflunomide winthrop)", "Repso", "Leflunomide", "Leflunomide"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Dihydroorotate dehydrogenase (quinone), mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL1966"], "id": "UniProtKB:Q02127", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL973", "category": ["biolink:ChemicalEntity"], "name": "TERIFLUNOMIDE", "xref": ["InChIKey:UTNUDOFZCWSZMS-YFHOEESVSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1"], "synonym": ["Teriflunomide", "Teriflunomide", "Teriflunomide", "Teriflunomide", "Teriflunomide", "Teriflunomida", "Teriflunomide", "Teriflunomide", "A77 1726", "HMR-1726", "HMR1726", "Aubagio", "Teriflunomide accord", "Teriflunomide mylan", "Teriflunomide", "Leflunomide related compound b", "Leflunomide related compound b rs"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200862", "category": ["biolink:ChemicalEntity"], "name": "METYROSINE", "xref": ["InChIKey:NHTGHBARYWONDQ-JTQLQIEISA-N", "SMILES:C[C@](N)(Cc1ccc(O)cc1)C(=O)O"], "synonym": ["Metirosine", "Metirosine", "Metirosine", "Metyrosine", "Metirosine", "Metirosina", "Metirosine", "Metyrosine", "(-)-.alpha.-methyl-l-tyrosine", "L-tyrosine, .alpha.-methyl-", "L-tyrosine, .alpha.-methyl-, (-)-", "Methyltyrosine", "Metirosine", "Metyrosine", "Racemetirosine, (s)-", "L-588357-0", "MK-781", "Demser", "Metyrosine", "Metyrosine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Tyrosine 3-monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL1969"], "id": "UniProtKB:P07101", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473", "category": ["biolink:ChemicalEntity"], "name": "DOFETILIDE", "xref": ["InChIKey:IXTMWRCNAAVVAI-UHFFFAOYSA-N", "SMILES:CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1"], "synonym": ["Dofetilide", "Dofetilide", "Dofetilide", "Dofetilide", "Dofetilide", "Dofetilida", "Dofetilide", "Dofetilide", "Dofetilide", "UK-68,798", "UK-68798", "Dofetilide", "Tikosyn", "Dofetilide", "Dofetilide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Voltage-gated inwardly rectifying potassium channel KCNH2", "xref": ["CHEMBL.TARGET:CHEMBL240"], "id": "UniProtKB:Q12809", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2355456", "category": ["biolink:ChemicalEntity"], "name": "IBUTILIDE FUMARATE", "xref": ["InChIKey:PCIOHQNIRPWFMV-WXXKFALUSA-N", "SMILES:CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O"], "synonym": ["Ibutilide fumarate", "Ibutilide fumarate", "U-70226E", "Corvert", "Ibutilide fumarate", "Ibutilide fumarate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1083993", "category": ["biolink:ChemicalEntity"], "name": "AMIODARONE HYDROCHLORIDE", "xref": ["InChIKey:ITPDYQOUSLNIHG-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl"], "synonym": ["Amiodarone hydrochloride", "Amiodarone hydrochloride", "Amiodarone hydrochloride", "Amiodar", "Amiodarone hcl", "Amiodarone hydrochloride", "Miodaron", "Ortacrone", "Ritmocardyl", "Trangorex", "L-3428", "NSC-343341", "NSC-85442", "SK&F-33134-A", "SKF 33134-A", "SKF-33134-A", "VF-236", "Amidox", "Amiodarone hydrochloride", "Amyben", "Cordarone", "Cordarone x", "Cordarone x 100", "Cordarone x 200", "Darmil", "Nexterone", "Pacerone", "Amiodarone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Glutamate receptor ionotropic, NMDA 2A", "xref": ["CHEMBL.TARGET:CHEMBL1972"], "id": "UniProtKB:Q12879", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1388", "category": ["biolink:ChemicalEntity"], "name": "MONOBENZONE", "xref": ["InChIKey:VYQNWZOUAUKGHI-UHFFFAOYSA-N", "SMILES:Oc1ccc(OCc2ccccc2)cc1"], "synonym": ["Monobenzone", "Monobenzone", "Monobenzone", "Monobenzona", "P-(benzyloxy)phenol", "NSC-2132", "Benoquin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Tyrosinase", "xref": ["CHEMBL.TARGET:CHEMBL1973"], "id": "UniProtKB:P14679", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL544", "category": ["biolink:ChemicalEntity"], "name": "MEQUINOL", "xref": ["InChIKey:NWVVVBRKAWDGAB-UHFFFAOYSA-N", "SMILES:COc1ccc(O)cc1"], "synonym": ["Mequinol", "Mequinol", "Mequinol", "Mequinol", "4-hydroxyanisole", "4-methoxyphenol", "4ha", "Hqmme; hydroxyquinone methyl ether", "Leucobasal", "Leucodine b", "Mechinolum", "Menthyl anthranilate", "Novo-dermoquinona", "P-guaiacol", "P-hydroxyanisole", "BMS-181158", "NSC-4960", "Mequinol component of solage", "Mequinol"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Receptor-type tyrosine-protein kinase FLT3", "xref": ["CHEMBL.TARGET:CHEMBL1974"], "id": "UniProtKB:P36888", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201620", "category": ["biolink:ChemicalEntity"], "name": "SOMATREM", "synonym": ["Somatrem", "Somatrem", "Somatrem", "Somatrem", "Somatotropin methionyl human growth hormone", "Protropin (genentech)", "Protropin", "Somatrem"], "chembl_availability_type": "discontinued"}
{"name": "Growth hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL1976"], "id": "UniProtKB:P10912", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201621", "category": ["biolink:ChemicalEntity"], "name": "SOMATROPIN", "synonym": ["Somatropin", "Somatropin", "Somatropin", "Somatropin", "Somatropin recombinant", "Somatropin", "Somatropine", "Somatropina", "Somatropin", "Somatotropin human growth hormone", "Genotonorm", "Growth hormone", "Growth hormone (human)", "Hsb-hgh", "Human growth hormone", "Hypertropin", "R-hgh", "Recombinant human growth hormone", "Rh-polypeptide-7", "Somatotropin", "Somatotropin (human)", "Somatotropin human", "Somatropin", "Somatropin (rdna origin)", "Somatropin biopartners", "Somatropin for injection", "Tev-tropin", "Tevtropin", "Vexxon-hgh", "CB-311", "DA-3002", "LY-137998", "LY137998", "Genotropin", "Genotropin [rdna origin]", "Genotropin goquick", "Genotropin kabipen", "Genotropin kabiquick", "Genotropin kabivial", "Genotropin miniquick", "Hgh", "Humatrope", "Humatropen", "Norditropin", "Norditropin penset", "Norditropin simplexx", "Nutropin", "Nutropinaq", "Omnitrope", "Omnitrope pen 10", "Omnitrope pen 5", "Omnitrope surepal 10", "Omnitrope surepal 15", "Omnitrope surepal 5", "Saizen", "Saizen click.easy", "Saizen easyject", "Serostim", "Somatropin biopartners", "Valtropin", "Zomacton", "Zorbtive", "Somatropin", "Somatropin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201515", "category": ["biolink:ChemicalEntity"], "name": "PEGVISOMANT", "synonym": ["Pegvisomant", "Pegvisomant", "Pegvisomant", "Pegvisomant", "Pegvisomant", "Pegvisomant", "Pegvisomant", "Pegwisomant", "Somavent", "Trovert", "B-2036-PEG", "B2036-PEG", "B2036PEG", "Somavert", "Pegvisomant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1042", "category": ["biolink:ChemicalEntity"], "name": "CHOLECALCIFEROL", "xref": ["InChIKey:QYSXJUFSXHHAJI-YRZJJWOYSA-N", "SMILES:C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12"], "synonym": ["Colecalciferol", "Colecalciferol", "Cholecalciferol", "Colecalciferol", "Vitamin d3", "7-dehydrocholesterol, activated", "Cholecalciferol", "Colecalciferol", "Colecalciferolum", "Delsterol", "Delta-d", "Deparal", "Ebivit", "Provitina", "Ricketon", "Vigantoletten", "Vitamin d (cholecalciferol)", "Vitamin d-3", "Vitamin d3 (as cholecalciferol)", "CHOLECALCIFEROL COMPONENT OF AK R215  COLECALCIFEROL", "CHOLECALCIFEROL COMPONENT OF AK-R215  COLECALCIFEROL", "NSC-375571", "Accrete d3", "Aciferol d3", "Adcal-d3", "Biolife vitamin d3", "Cacit d3", "Calceos", "Calci-d", "Calcichew d3", "Calcichew d3 fte", "Calcichew d3 once daily", "Cholecalciferol component of dp-r206  vitamin d3", "Cholecalciferol component of fosamax plus d", "Colecal d3", "Colekal-d3", "Cubicole d3", "D-max", "D3 lemon melts", "Dekristol", "Desunin", "Dihydrocholesterol", "E-d3", "Evacal d3", "Fultium daily d3", "Fultium-d3", "Hux d3", "Invita d3", "Kora liquid", "Natecal d3", "Osteocaps d3", "Pro d3", "Pro d3 forte", "Royalvit d3", "Stexerol-d3", "Sunvit-d3 1,000", "Sunvit-d3 10,000", "Sunvit-d3 2,000", "Sunvit-d3 2,000u/ml", "Sunvit-d3 20,000", "Sunvit-d3 3,000", "Sunvit-d3 400", "Sunvit-d3 5,000", "Sunvit-d3 50,000", "Sunvit-d3 800", "Synervit-d3", "Theical d-3", "Thorens", "Vigantol", "Vit d3 streuli", "Vitamin d 3", "Zymad", "Vitamin d assay system suitability"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Vitamin D3 receptor", "xref": ["CHEMBL.TARGET:CHEMBL1977"], "id": "UniProtKB:P11473", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1536", "category": ["biolink:ChemicalEntity"], "name": "ERGOCALCIFEROL", "xref": ["InChIKey:MECHNRXZTMCUDQ-RKHKHRCZSA-N", "SMILES:C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12"], "synonym": ["Ergocalciferol", "Ergocalciferol", "Ergocalciferol", "Ergocalciferol", "Vitamin d2", "Calciferol", "Ergocalciferol", "Ergocalciferolum", "Ergorone", "Ostelin", "Viosterol", "Vitamin d", "Vitamin d (ergocalciferol)", "Vitamin d nos", "Vitamin d, unspecified form", "NSC-62792", "Deltalin", "Drisdol", "Eciferol d2", "Ergo-d2", "Ergocalciferol", "Ergocalciferol component of vitaped", "Ergoral d2", "Sterogyl", "Sterogyl 15h", "Sterogyl-15", "Uvesterol d", "Vitamin d", "Vitamin d 2"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200666", "category": ["biolink:ChemicalEntity"], "name": "CALCIPOTRIENE", "xref": ["InChIKey:LWQQLNNNIPYSNX-UROSTWAQSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "synonym": ["Calcipotriol", "Calcipotriol", "Calcipotriol", "Calcipotriene", "Calcipotriene hydrate", "Calcipotriol", "Calcipotriol", "Calcipotriol hydrate", "Calcipotriene", "Calcipotriene", "Calcipotriene monohydrate", "Calcipotriol", "Calcipotriol anhydrous", "Calcipotriol hydrate", "Calcipotriol monohydrate", "Calciptriol", "MC 903", "MC-903", "PRI-2201", "Calcipotriene", "Calcipotriene component of enstilar", "Calcipotriene component of taclonex", "Calcipotriene component of wynzora", "Calcipotriene hydrate component of taclonex", "Dovobet", "Dovonex", "Enstilar", "Sorilux", "Xamiol", "Calcipotriene", "Calcipotriene"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200622", "category": ["biolink:ChemicalEntity"], "name": "PARICALCITOL", "xref": ["InChIKey:BPKAHTKRCLCHEA-UBFJEZKGSA-N", "SMILES:C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"], "synonym": ["Paricalcitol", "Paricalcitol", "Paricalcitol", "Paricalcitol", "Paricalcitol", "Paricalcitol", "Paricalcitol", "COMPOUND 49510", "COMPOUND-49510", "Paricalcitol", "Zemplar", "Paricalcitol", "Paricalcitol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL846", "category": ["biolink:ChemicalEntity"], "name": "CALCITRIOL", "xref": ["InChIKey:GMRQFYUYWCNGIN-NKMMMXOESA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "synonym": ["Calcitriol", "Calcitriol", "Calcitriol", "Calcitriol", "Calcitriol", "Calcitriol", "Calcitriol", "1,25-dihydroxy vitamin d3", "1,25-dihydroxyvitamin d3", "1,25-hydroxylated vitamin d", "1alpha,25-dihydroxycholecalciferol", "1alpha,25-dihydroxyvitamin d3", "Calcitriol", "RO 21-5535", "RO-21-5535", "RO-215535", "Calcijex", "Calcitriol", "Dihydroxyvitamin d 3", "Rocaltrol", "Silkis", "Vectical", "Calcitriol", "Calcitriol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544909", "category": ["biolink:ChemicalEntity"], "name": "CALCIFEDIOL", "xref": ["InChIKey:WRLFSJXJGJBFJQ-WPUCQFJDSA-N", "SMILES:C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12.O"], "synonym": ["Calcifediol", "Calcifediol", "Calcifediol", "Calcifediol", "Calcifediol", "Calcidiol", "Calcifediol", "Calcifediol hydrate", "Calcifediol monohydrate", "Ctap-101", "Didrogyl", "Hidroferol", "Rayaldy", "CTAP101", "U-32,070E", "U-32070E", "Calderol", "Rayaldee", "Calcifediol", "Calcifediol"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200810", "category": ["biolink:ChemicalEntity"], "name": "DOXERCALCIFEROL", "xref": ["InChIKey:HKXBNHCUPKIYDM-CGMHZMFXSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "synonym": ["Doxercalciferol", "Doxercalciferol", "Doxercalciferol", "Doxercalciferol", "1-.alpha.-hydroxyergocalciferol", "1-alpha-hydroxyergocalciferol", "1-hydroxyergocalciferol", "1.alpha.-hydroxyergocalciferol", "1.alpha.-hydroxyvitamin d2", "Doxercalciferol", "GZ427397", "TSA-840", "Doxercalciferol", "Hectorol", "Doxercalciferol", "Doxercalciferol"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1571", "category": ["biolink:ChemicalEntity"], "name": "TESTOLACTONE", "xref": ["InChIKey:BPEWUONYVDABNZ-DZBHQSCQSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12"], "synonym": ["Testolactone", "Testolactone", "Testolactone", "Testolactona", "Testolactone", "Teolit", "Testolactone", "NSC-23759", "SQ 9538", "SQ-9538", "Fludestrin", "Teslac", "Testolactone", "Testolactone", "Testolactone ciii"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Aromatase", "xref": ["CHEMBL.TARGET:CHEMBL1978"], "id": "UniProtKB:P11511", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1399", "category": ["biolink:ChemicalEntity"], "name": "ANASTROZOLE", "xref": ["InChIKey:YBBLVLTVTVSKRW-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1"], "synonym": ["Anastrozole", "Anastrozole", "Anastrozole", "Anastrozole", "Anastrozole", "Anastrozol", "Anastrozole", "Anastrozole", "Anastrozole", "Rvg-106400", "ICI D1033", "ICI-D1033", "NSC-719344", "NSC-759855", "ZD-1033", "ZD1033", "Anastrozole", "Arimidex", "Nastrosa", "Anastrozole", "Anastrozole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1444", "category": ["biolink:ChemicalEntity"], "name": "LETROZOLE", "xref": ["InChIKey:HPJKCIUCZWXJDR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1"], "synonym": ["Letrozole", "Letrozole", "Letrozole", "Letrozole", "Letrozole", "Letrozol", "Letrozole", "Letrozole", "Letrozole", "CGS 20267", "CGS-20267", "NSC-759652", "Femara", "Letrozole", "Letrozole component of kisqali femara co-pack", "Letrozole", "Letrozole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200374", "category": ["biolink:ChemicalEntity"], "name": "EXEMESTANE", "xref": ["InChIKey:BFYIZQONLCFLEV-DAELLWKTSA-N", "SMILES:C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"], "synonym": ["Exemestane", "Exemestane", "Exemestane", "Exemestane", "Exemestane", "Exemestano", "Exemestane", "Exemestane", "Exemestane", "FCE-24304", "FCE24304", "NSC-758907", "PNU-155971", "Aromasin", "Exemestane", "Exemestane", "Exemestane"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL488", "category": ["biolink:ChemicalEntity"], "name": "AMINOGLUTETHIMIDE", "xref": ["InChIKey:ROBVIMPUHSLWNV-UHFFFAOYSA-N", "SMILES:CCC1(c2ccc(N)cc2)CCC(=O)NC1=O"], "synonym": ["Aminoglutethimide", "Aminoglutethimide", "Aminoglutethimide", "Aminoglutethimide", "Aminoglutetimida", "Aminoglutethimide", "Aminoglutethimide", "NSC-330915", "Cytadren", "Orimeten"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200822", "category": ["biolink:ChemicalEntity"], "name": "FLECAINIDE ACETATE", "xref": ["InChIKey:RKXNZRPQSOPPRN-UHFFFAOYSA-N", "SMILES:CC(=O)O.O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F"], "synonym": ["Flecainide acetate", "Flecainide acetate", "Flecainide acetate", "Flecainide monoacetate", "Flecainide acetate", "Flecainide acetate", "Tambocor", "Flecainide acetate", "Flecainide acetate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Sodium channel protein type 5 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL1980"], "id": "UniProtKB:Q14524", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200612", "category": ["biolink:ChemicalEntity"], "name": "DIBUCAINE HYDROCHLORIDE", "xref": ["InChIKey:IVHBBMHQKZBJEU-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.Cl"], "synonym": ["Cinchocaine hydrochloride", "Dibucaine hydrochloride", "Dibucaine hcl", "NSC-756724", "Heavy solution nupercaine", "Nupercainal", "Nupercaine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1404", "category": ["biolink:ChemicalEntity"], "name": "RANOLAZINE", "xref": ["InChIKey:XKLMZUWKNUAPSZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1"], "synonym": ["Ranolazine", "Ranolazine", "Ranolazine", "Ranolazine", "Ranolazine", "Ranolazina", "Ranolazine", "Aspruzyo", "Ran d", "Ranolazine", "CVT-303", "NSC-759100", "RS-43285-003", "Aspruzyo sprinkle", "Ranexa", "Ranexa (previously latixa)", "Ranolazine", "Ranolazine", "Ranolazine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201540", "category": ["biolink:ChemicalEntity"], "name": "INSULIN SUSP ISOPHANE RECOMBINANT HUMAN", "synonym": ["Insulin susp isophane recombinant human", "Isophane insulin human suspension", "Nph human insulin"], "chembl_availability_type": "over the counter"}
{"name": "Insulin receptor", "xref": ["CHEMBL.TARGET:CHEMBL1981"], "id": "UniProtKB:P06213", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201629", "category": ["biolink:ChemicalEntity"], "name": "INSULIN PURIFIED BEEF", "synonym": ["Insulin (beef)", "Insulin purified beef", "Insulin bovine insulin", "(beef) insulin", "Bovine insulin highly purified", "Bovine insulinum", "Insulin (bison bonasus)", "Insulin beef", "Insulin bovine", "Insulin, regular, beef", "Insulin,lente,beef", "Insulin,nph,beef", "Insulin,semilente,beef", "Insulin,ultralente,beef"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201644", "category": ["biolink:ChemicalEntity"], "name": "INSULIN ZINC SUSP RECOMBINANT HUMAN", "synonym": ["Insulin zinc susp recombinant human"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201631", "category": ["biolink:ChemicalEntity"], "name": "INSULIN HUMAN", "synonym": ["Insulin (human)", "Insulin human", "Insulin human", "Insulin human", "Insulin human (rdna)", "Insulin recombinant human", "Insulin human", "Insuline humaine", "Insulina humana", "Insulin human (biosynthesis)", "Insulin human (synthesis)", "Biosulin r", "Capsulin", "Exubera (inhaled insulin human)", "Human insulin", "Humulin", "Insulin", "Insulin human", "Insulin human lente", "Insulin human nph", "Insulin human rdna", "Insulin human regular", "Insulin human regular (rdna)", "Insulin human semisynthetic", "Insulin human, rdna origin", "Insulin recombinant purified human", "Insulin reconbinanet human", "Insulin semi synthetic human", "Insulin semisynthetic human", "Insulin, human", "Insulin,regular,human buffered", "Insulin,ultralente,human", "Regular insulin, human", "Viatab", "Actrapid", "Afrezza", "Exubera", "Humulin br", "Humulin r", "Inpremzia", "Ins humulin r", "Insuman", "Insuman infusat", "Myxredlin", "Velosulin", "Insulin human", "High molecular weight insulin human", "Insulin human"], "chembl_black_box_warning": "True", "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201630", "category": ["biolink:ChemicalEntity"], "name": "INSULIN PURIFIED PORK", "synonym": ["Insulin (pork)"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201545", "category": ["biolink:ChemicalEntity"], "name": "INSULIN SUSP ISOPHANE BEEF", "synonym": ["Insulin susp isophane beef"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201611", "category": ["biolink:ChemicalEntity"], "name": "INSULIN LISPRO PROTAMINE RECOMBINANT", "synonym": ["Insulin lispro protamine recombinant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201538", "category": ["biolink:ChemicalEntity"], "name": "INSULIN LISPRO", "synonym": ["Insulin lispro", "Insulin lispro", "Insulin lispro", "Insulin lispro", "Insulin lispro", "Insuline lispro", "Insulina lispro", "Insulin lispro", "Lyumjev", "Humalog", "Ins humalog", "Insulin lispro sanofi", "Liprolog", "Lyumjev (previously liumjev)", "Insulin lispro", "Insulin lispro"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201613", "category": ["biolink:ChemicalEntity"], "name": "INSULIN GLULISINE", "synonym": ["Insulin glulisine", "Insulin glulisine", "Insulin glulisine", "Insulin glulisine recombinant", "Insulin glulisine", "Insuline glulisine", "Insulina glulisina", "Insulin glulisine", "Glulisine apidra", "Insulin glulisine", "Insulin, glulisine, human", "Insulin,glulisine,human", "HMR 1964", "HMR-1964", "HMR1964", "Apidra", "Ins apidra", "Ins apidra opticlik", "Ins apidra optiset", "Ins apidra solostar", "Insulin glulisine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201497", "category": ["biolink:ChemicalEntity"], "name": "INSULIN GLARGINE", "synonym": ["Insulin glargine", "Insulin glargine", "Insulin glargine", "Insulin glargine", "Insulin glargine recombinant", "Insulin glargine", "Insuline glargine", "Insulina glargina", "Insulin glargine", "Basalin", "Basalog", "Galactus", "Glargin", "Glargine", "Glaricon", "Insulin glargine", "Insulin glargine (lantus)", "Insulin glargine (sanofi)", "Insulin glargine aglr", "Insulin glargine yfgn", "Insulin glargine-aglr", "Insulin glargine-yfgn", "Lantus r", "Lusduna", "Myl-1501d", "Rezvoglar", "Rezvoglar kwikpen", "Semglee", "HOE 71GT", "HOE 901", "HOE-71GT", "HOE-901", "HOE901", "LY-2963016", "LY2963016", "MK-1293", "MYL-1501D", "Abasaglar", "Abasaglar (previously abasria)", "Abasaglar kwikpen", "Basaglar", "Ins lantus", "Ins lantus opticlik", "Ins lantus optiset", "Ins lantus solostar", "Insulin glargine component of basaglar", "Insulin glargine component of soliqua 100/33", "Lantus", "Lusduna", "Semglee", "Toujeo", "Toujeo (previously optisulin)", "Toujeo solostar", "Insulin glargine", "Insulin glargine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201539", "category": ["biolink:ChemicalEntity"], "name": "INSULIN PORK", "synonym": ["Insulin porcine insulin", "Insulin porcine", "Insulin pork", "Insulin pork"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201627", "category": ["biolink:ChemicalEntity"], "name": "INSULIN SUSP ISOPHANE SEMISYNTHETIC PURIFIED HUMAN", "synonym": ["Insulin susp isophane semisynthetic purified human"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201496", "category": ["biolink:ChemicalEntity"], "name": "INSULIN ASPART", "synonym": ["Insulin aspart", "Insulin aspart", "Insulin aspart", "Insulin aspart", "Insulin aspart recombinant", "Insulin aspart", "Insuline asparte", "Insulina asparta", "Insulin aspart", "B28-ASP-INSULIN", "I-004", "I004", "INA-X14", "INSULIN X14", "Fiasp", "Fiasp flextouch", "Ins novorapid", "Insulin aspart component of ryzodeg 70/30", "Insulin aspart sanofi", "Kirsty (previously kixelle)", "Novolog", "Novorapid", "Insulin aspart"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201664", "category": ["biolink:ChemicalEntity"], "name": "INSULIN ASPART PROTAMINE RECOMBINANT", "synonym": ["Insulin aspart protamine recombinant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2104391", "category": ["biolink:ChemicalEntity"], "name": "INSULIN DETEMIR", "xref": ["InChIKey:UGOZVNFCFYTPAZ-IOXYNQHNSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2)[C@@H](C)O)C(=O)O"], "synonym": ["Insulin detemir", "Insulin detemir", "Insulin detemir", "Insulin detemir", "Insulin detemir recombinant", "Insulin detemir", "Insuline detemir", "Insulina detemir", "Insulin detemir", "Detemir", "Insulin detemir", "Insulin,detemir,human", "NN-304", "Ins levemir", "Levemir", "Insulin detemir"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL719", "category": ["biolink:ChemicalEntity"], "name": "MUPIROCIN", "xref": ["InChIKey:MINDHVHHQZYEEK-HBBNESRFSA-N", "SMILES:C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O"], "synonym": ["Mupirocin", "Mupirocin", "Mupirocin", "Mupirocin", "Mupirocin", "Mupirocine", "Mupirocina", "Mupirocin", "Bactoderm", "Mupirocin", "Pseudomonic acid", "Trans-pseudomonic acid", "Turixin", "BRL 4910A", "BRL-4910A", "NSC-759182", "Bactroban", "Centany", "Mupirocin", "Mupirocin", "Mupirocin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Isoleucine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL1982"], "id": "UniProtKB:P41972", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989715", "category": ["biolink:ChemicalEntity"], "name": "MUPIROCIN CALCIUM", "xref": ["InChIKey:DDHVILIIHBIMQU-YJGQQKNPSA-L", "SMILES:C/C(=C\\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.O.O.[Ca+2]"], "synonym": ["Mupirocin calcium", "Mupirocin calcium hydrate", "Calcium mupirocin", "Calcium mupirocin dihydrate", "Calcium pseudomonate", "Mupirocin calcium", "Mupirocin calcium anhydrous", "Mupirocin calcium dihydrate", "Mupirocin calcium hydrate", "BRL 4910F", "BRL-4910F", "Bactroban", "Mupirocin calcium", "Mupirocin calcium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200517", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROERGOTAMINE MESYLATE", "xref": ["InChIKey:ADYPXRFPBQGGAH-UMYZUSPBSA-N", "SMILES:CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O"], "synonym": ["Dihydroergotamine mesilate", "Dihydroergotamine mesylate", "Dihydroergotamine mesilate", "Dihydroergotamine methanesulfonate", "Dihydroergotamine mesilate", "Dihydroergotamine mesylate", "Migranal", "DHE-45", "NSC-759848", "D.h.e. 45", "Diergo", "Dihydergot", "Dihydroergotamine mesylate", "Dihydroergotamine mesylate component of embolex", "Tonopan", "Trudhesa", "Dihydroergotamine mesylate", "Dihydroergotamine mesylate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "5-hydroxytryptamine receptor 1D", "xref": ["CHEMBL.TARGET:CHEMBL1983"], "id": "UniProtKB:P28221", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448612", "category": ["biolink:ChemicalEntity"], "name": "ERGOTAMINE TARTRATE", "xref": ["InChIKey:CJMJLDQKTOJACI-SEUSHGJOSA-N", "SMILES:CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Ergotamine tartrate", "Ergotamine tartrate", "Ergotamine bitartrate", "Ergotamine d-tartrate", "Ergotamini tartras", "Gotamine tartrate", "NSC-41869", "Cafergot", "Ergomar", "Ergostat", "Ergotamine tartrate component of cafergot", "Ergotamine tartrate component of migergot", "Ergotamine tartrate component of wigraine", "Femergin", "Gynergen", "Lingraine", "Medihaler ergotamine", "Migril", "Wigrettes"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL831", "category": ["biolink:ChemicalEntity"], "name": "LOXAPINE", "xref": ["InChIKey:XJGVXQDUIWGIRW-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1"], "synonym": ["Loxapine", "Loxapine", "Loxapine", "Loxapine", "Loxapine", "Loxapina", "Loxapine", "CL 62,362", "CL-62362", "SUM 3170", "SUM-3170", "Adasuve", "Loxapine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "5-hydroxytryptamine receptor 2A", "xref": ["CHEMBL.TARGET:CHEMBL224"], "id": "UniProtKB:P28223", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1713", "category": ["biolink:ChemicalEntity"], "name": "CHLORPROMAZINE HYDROCHLORIDE", "xref": ["InChIKey:FBSMERQALIEGJT-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl"], "synonym": ["Chlorpromazine hydrochloride", "Chlorpromazine hydrochloride", "Chlorpromazine hydrochloride", "Chlorpromazine hcl", "Chlorpromazine hydrochloride", "Chlorpromazini hydrochloridum", "Klorproman", "Marazine", "Nci-c05210", "Norcozine", "NSC-17479", "Chloractil", "Chlorazine", "Chlorpromazine hydrochloride", "Chlorpromazine hydrochloride intensol", "Largactil", "Largactil fte", "Promapar", "Rimazine", "Sonazine", "Thorazine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL42", "category": ["biolink:ChemicalEntity"], "name": "CLOZAPINE", "xref": ["InChIKey:QZUDBNBUXVUHMW-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1"], "synonym": ["Clozapine", "Clozapine", "Clozapine", "Clozapine", "Clozapine", "Clozapina", "Clozapine", "Clozapine", "Clozapine", "Clozapine (caraco)", "Clozapine (clozaril)", "Clozapine (fazaclo)", "Clozapine (ivax)", "Clozapine (mylan)", "Clozapine (teva)", "Clozapine (udl)", "Clozapine (versacloz)", "Leponex", "HF 1854", "HF-1854", "NSC-757429", "Clozapine", "Clozaril", "Fazaclo", "Fazaclo odt", "Versacloz", "Zaponex", "Clozapine", "Clozapine", "Clozapine resolution mixture"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200636", "category": ["biolink:ChemicalEntity"], "name": "CYCLOBENZAPRINE HYDROCHLORIDE", "xref": ["InChIKey:VXEAYBOGHINOKW-UHFFFAOYSA-N", "SMILES:CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl"], "synonym": ["Cyclobenzaprine hydrochloride", "Cyclobenzaprine hydrochloride", "Cyclobenzaprine hydrochloride", "Cyclobenzaprine hcl", "Cyclobenzaprine hydrochloride", "MK-130 HYDROCHLORIDE", "MK-130 [AS THE BASE]", "NSC-169900", "NSC-173379", "NSC-78206", "Amrix", "Cyclobenzaprine hydrochloride", "Flexeril", "Cyclobenzaprine hydrochloride", "Cyclobenzaprine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL71", "category": ["biolink:ChemicalEntity"], "name": "CHLORPROMAZINE", "xref": ["InChIKey:ZPEIMTDSQAKGNT-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21"], "synonym": ["Chlorpromazine", "Chlorpromazine", "Chlorpromazine", "Clorpromazina", "Chlorpromazine", "Aminazine", "Chlorpromazine", "Chlorpromazinum", "Esmind", "Fenactil", "Largactilothiazine", "Novomazina", "Propaphenin", "Sanopron", "Wintermin", "J2.794D", "NSC-167745", "NSC-226514", "SKF-2601A", "Elmarin", "Megaphen", "Thorazine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2358147", "category": ["biolink:ChemicalEntity"], "name": "CARPHENAZINE MALEATE", "xref": ["InChIKey:TVPJGGZLZLUPOB-SPIKMXEPSA-N", "SMILES:CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O"], "synonym": ["Carphenazine maleate", "Carphenazine dimaleate", "Carfenazine maleate", "Carphenazine", "Carphenazine dimaleate", "NSC-71755", "WY-2445", "Proketazine", "Carphenazine maleate", "Carphenazine maleate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1108", "category": ["biolink:ChemicalEntity"], "name": "DROPERIDOL", "xref": ["InChIKey:RMEDXOLNCUSCGS-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1"], "synonym": ["Droperidol", "Droperidol", "Droperidol", "Droperidol", "Droperidol", "Droperidol", "Droperidol", "Droperidol", "MCN-JR-4749", "NSC-169874", "R-4749", "Dridol", "Droleptan", "Droperidol", "Droperidol component of innovar", "Inapsine", "Droperidol", "Droperidol"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201060", "category": ["biolink:ChemicalEntity"], "name": "LOXAPINE HYDROCHLORIDE", "xref": ["InChIKey:JSXBVMKACNEMKY-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.Cl"], "synonym": ["Loxapine hydrochloride", "Loxapine hcl", "Loxitane c", "Loxitane im"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201155", "category": ["biolink:ChemicalEntity"], "name": "LOXAPINE SUCCINATE", "xref": ["InChIKey:YQZBAXDVDZTKEQ-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O"], "synonym": ["Loxapine succinate", "Loxapine succinate", "Loxapine succinate", "Loxapine succinate", "CL 71563", "CL-71563", "NSC-759578", "Loxapac", "Loxapine succinate", "Loxitane", "Loxapine succinate", "Loxapine succinate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1615372", "category": ["biolink:ChemicalEntity"], "name": "LURASIDONE HYDROCHLORIDE", "xref": ["InChIKey:NEKCRUIRPWNMLK-SCIYSFAVSA-N", "SMILES:Cl.O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1"], "synonym": ["Lurasidone hydrochloride", "Lurasidone hydrochloride", "Lurasidone hydrochloride", "Lurasidone hydrochloride", "Lurasidone hcl", "Lurasidone hydrochloride", "SM-13496", "Latuda", "Lurasidone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL654", "category": ["biolink:ChemicalEntity"], "name": "MIRTAZAPINE", "xref": ["InChIKey:RONZAEMNMFQXRA-UHFFFAOYSA-N", "SMILES:CN1CCN2c3ncccc3Cc3ccccc3C2C1"], "synonym": ["Mirtazapine", "Mirtazapine", "Mirtazapine", "Mirtazapine", "Mirtazapine", "Mirtazapina", "Mirtazapine", "Mirtazapine", "6-azamianserin", "Avanza", "Mirataz", "Mirtazapin", "Mirtazapine", "Mirtazapine anhydrous", "Norset", "Promyrtil", "Rexer", "ORG 3770", "ORG-3770", "Mirtazapine", "Remeron", "Remeron soltab", "Zispin", "Mirtazapine", "Mirtazapine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL715", "category": ["biolink:ChemicalEntity"], "name": "OLANZAPINE", "xref": ["InChIKey:KVWDHTXUZHCGIO-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1"], "synonym": ["Olanzapine", "Olanzapine", "Olanzapine", "Olanzapine", "Olanzapine", "Olanzapine", "Olanzapina", "Olanzapine", "Olanzapine", "Olansek", "Olanzapine", "Olanzapine apotex", "Olanzapine cipla", "Olanzapine glenmark", "Olanzapine mylan", "Olanzapine teva", "Olazax", "Olazax disperzi", "Zyprexa velotab", "LY-170053", "LY170053", "Arkolamyl", "Olansek", "Olanzapine", "Olanzapine apotex", "Olanzapine cipla (previously olanzapine neopharma)", "Olanzapine component of lybalvi", "Olanzapine component of symbyax", "Olanzapine glenmark", "Olanzapine glenmark europe", "Olanzapine mylan", "Olanzapine teva", "Olazax", "Olazax disperzi", "Zalasta", "Zyprexa", "Zyprexa velotab", "Zyprexa zydis", "Olanzapine", "Olanzapine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989694", "category": ["biolink:ChemicalEntity"], "name": "OLANZAPINE PAMOATE", "xref": ["InChIKey:ZIMCQJVMPKQQPB-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1.O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O"], "synonym": ["Olanzapine embonate", "Olanzapine pamoate", "Olanzapine pamoate", "Olanzapine pamoate monohydrate", "Olanzapine (as embonate)", "Olanzapine embonate", "Olanzapine pamoate", "Olanzapine pamoate anhydrous", "Zypadhera", "Zypadhera", "Zyprexa relprevv", "Olanzapine pamoate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200469", "category": ["biolink:ChemicalEntity"], "name": "PROMAZINE HYDROCHLORIDE", "xref": ["InChIKey:JIVSXRLRGOICGA-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl"], "synonym": ["Promazine hydrochloride", "Promazine hydrochloride", "Promazine hcl", "NSC-17468", "Prazine", "Promazine granules", "Promazine hydrochloride", "Protactyl", "Sparine", "Tranquazine", "Verophene"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3188993", "category": ["biolink:ChemicalEntity"], "name": "QUETIAPINE FUMARATE", "xref": ["InChIKey:ZTHJULTYCAQOIJ-WXXKFALUSA-N", "SMILES:O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1"], "synonym": ["Quetiapine fumarate", "Quetiapine fumarate", "Quetiapine hemifumarate", "Quetiapine (as fumarate)", "Quetiapine fumarate", "Utapine", "FK-947E", "FK947E", "ICI 204,636", "ICI-204636", "ZD-5077", "ZD5077", "ZM 204,636", "ZM-204636", "Quetiapine fumarate", "Seroquel", "Seroquel xr", "Quetiapine fumarate", "Quetiapine fumarate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1423", "category": ["biolink:ChemicalEntity"], "name": "PIMOZIDE", "xref": ["InChIKey:YVUQSNJEYSNKRX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"], "synonym": ["Pimozide", "Pimozide", "Pimozide", "Pimozide", "Pimozide", "Pimozida", "Pimozide", "Pimozide", "Pimozide", "MCN-JR-6238", "NSC-170984", "R 623", "R 6238", "R-623", "R-6238", "Orap", "Pimozide", "Pimozide", "Pimozide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL85", "category": ["biolink:ChemicalEntity"], "name": "RISPERIDONE", "xref": ["InChIKey:RAPZEAPATHNIPO-UHFFFAOYSA-N", "SMILES:Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2"], "synonym": ["Risperidone", "Risperidone", "Risperidone", "Risperidone", "Risperidone", "Risperidone", "Risperidona", "Risperidone", "Risperidone", "Perseris", "Risperidone", "Risvan", "Rykindo", "Uzedy", "LY-03004", "LY03004", "N05AX08", "NSC-759895", "R 64 766", "R-64,766", "R-64-766", "R-64766", "RCN-3028", "RCN3028", "Okedi", "Perseris kit", "Risperdal", "Risperdal consta", "Risperdal consta long acting", "Risperdal m", "Risperdal m-tab", "Risperdal quicklet", "Risperidone", "Risvan", "Rykindo", "Uzedy", "Risperidone", "Risperidone"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL54", "category": ["biolink:ChemicalEntity"], "name": "HALOPERIDOL", "xref": ["InChIKey:LNEPOXFFQSENCJ-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"], "synonym": ["Haloperidol", "Haloperidol", "Haloperidol", "Haloperidol", "Haloperidol", "Haloperidol", "Haloperidol", "Haloperidol", "MCN-JR-1625", "NSC-170973", "NSC-615296", "R-1625", "Dolpin", "Dozic", "Fortunan", "Haldol", "Haldol solutab", "Haloperidol", "Haloperidol component of vesalium", "Kentace", "Keselen", "Serenace", "Haloperidol", "Haloperidol", "Haloperidol decanoate impurity, haloperidol-"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200986", "category": ["biolink:ChemicalEntity"], "name": "HALOPERIDOL DECANOATE", "xref": ["InChIKey:GUTXTARXLVFHDK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1"], "synonym": ["Haloperidol decanoate", "Haloperidol decanoate", "Haloperidol decanoate", "Haloperidol decanoate", "Haloperidol decanoate", "Halomonth", "Haloperidol decanoate", "R-13,672", "R-13672", "Haldol", "Haldol dec", "Haloperidol decanoate", "Haloperidol decanoate", "Haloperidol decanoate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297147", "category": ["biolink:ChemicalEntity"], "name": "HALOPERIDOL LACTATE", "xref": ["InChIKey:BVUSNQJCSYDJJG-UHFFFAOYSA-N", "SMILES:CC(O)C(=O)O.O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"], "synonym": ["Haloperidol lactate", "Haloperidol lactate", "Haldol", "Haloperidol intensol", "Haloperidol lactate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL479", "category": ["biolink:ChemicalEntity"], "name": "THIORIDAZINE", "xref": ["InChIKey:KLBQZWRITKRQQV-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2"], "synonym": ["Thioridazine", "Thioridazine", "Thioridazine", "Thioridazine", "Thioridazine", "Tioridazina", "Thioridazine", "Dl-thioridazine", "Mellerette", "Novoridazine", "Sonapax", "Thioridazine", "Thioridazine prolongatum", "Thioril", "TP-21", "Mellaril-s", "Melleril", "Rideril", "Thioridazine", "Thioridazine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200916", "category": ["biolink:ChemicalEntity"], "name": "THIORIDAZINE HYDROCHLORIDE", "xref": ["InChIKey:NZFNXWQNBYZDAQ-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl"], "synonym": ["Thioridazine hydrochloride", "Thioridazine hcl", "NSC-186060", "Mellaril", "Thioridazine hydrochloride", "Thioridazine hydrochloride intensol"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1257040", "category": ["biolink:ChemicalEntity"], "name": "TRIFLUOPERAZINE HYDROCHLORIDE", "xref": ["InChIKey:BXDAOUXDMHXPDI-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl"], "synonym": ["Trifluoperazine hydrochloride", "Trifluoperazine dihydrochloride", "Trifluoperazine dihydrochloride", "Trifluoperazine hcl", "NSC-757369", "Stelazine", "Trifluoperazine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1375743", "category": ["biolink:ChemicalEntity"], "name": "ZIPRASIDONE HYDROCHLORIDE", "xref": ["InChIKey:ZCBZSCBNOOIHFP-UHFFFAOYSA-N", "SMILES:Cl.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1"], "synonym": ["Ziprasidone hydrochloride", "Ziprasidone hydrochloride", "Ziprasidone hydrochloride hydrate", "Ziprasidone hydrochloride monohydrate", "Ziprasidone hydrochloride", "Ziprasidone hydrochloride hydrate", "CP-88,059-1", "CP-88059-1", "CP-880591", "Geodon", "Zeldox", "Ziprasidone hydrochloride", "Ziprasidone hydrochloride", "Ziprasidone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989833", "category": ["biolink:ChemicalEntity"], "name": "ZIPRASIDONE MESYLATE", "xref": ["InChIKey:WLQZEFFFIUHSJB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.O.O.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1"], "synonym": ["Ziprasidone mesylate", "Ziprasidone mesilate", "Ziprasidone mesilate trihydrate", "Ziprasidone mesylate", "Ziprasidone mesylate anhydrous", "CP-88, 059-27", "CP-88,059-27", "CP-88059-27", "CP-8805927", "NSC-760351", "Geodon", "Ziprasidone mesylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "5-hydroxytryptamine receptor 2C", "xref": ["CHEMBL.TARGET:CHEMBL225"], "id": "UniProtKB:P28335", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2095211", "category": ["biolink:ChemicalEntity"], "name": "LORCASERIN HYDROCHLORIDE", "xref": ["InChIKey:ITIHHRMYZPNGRC-QRPNPIFTSA-N", "SMILES:C[C@H]1CNCCc2ccc(Cl)cc21.Cl"], "synonym": ["Lorcaserin hydrochloride", "Lorcaserin hcl", "Lorcaserin hydrochloride", "Lorqess", "APD-356", "APD356", "Lorcaserin hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200331", "category": ["biolink:ChemicalEntity"], "name": "FOSFOMYCIN TROMETHAMINE", "xref": ["InChIKey:QZJIMDIBFFHQDW-LMLSDSMGSA-N", "SMILES:C[C@@H]1O[C@@H]1P(=O)(O)O.NC(CO)(CO)CO"], "synonym": ["Fosfomycin trometamol", "Fosfomycin tromethamine", "Fosfomycin tromethamine", "Fosfomycin trometamol", "Fosfomycin trometamol (1:1)", "Fosfomycin trometamol salt", "Fosfomycin tromethamine", "Z 1282", "Z-1282", "Monuril", "Monurol", "Fosfomycin tromethamine", "Fosfomycin tromethamine"], "chembl_availability_type": "prescription only"}
{"name": "UDP-N-acetylglucosamine 1-carboxyvinyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL1984"], "id": "UniProtKB:P0A749", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314342", "category": ["biolink:ChemicalEntity"], "name": "GLUCAGON HYDROCHLORIDE", "synonym": ["Glucagon hydrochloride", "Glucagon hydrochloride recombinant", "Glucagon chloride", "Glucagon hcl", "Glucagon hydrochloride", "Glucagon, monohydrochloride", "Glucagen"], "chembl_availability_type": "prescription only"}
{"name": "Glucagon receptor", "xref": ["CHEMBL.TARGET:CHEMBL1985"], "id": "UniProtKB:P47871", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314341", "category": ["biolink:ChemicalEntity"], "name": "GLUCAGON", "synonym": ["Glucagon", "Glucagon", "Glucagon", "Glucagon", "Glucagon", "Glucagon recombinant", "Glucagon", "Glucagon", "Baqsimi", "Glucagon", "Glucagon (recombinant dna origin)", "Glucagon recombinant", "Glucagon, human", "Glucagon, pig", "Glucagon, porcine", "Baqsimi", "Glucagon", "Gvoke hypopen", "Gvoke kit", "Ogluo", "Glucagon"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545059", "category": ["biolink:ChemicalEntity"], "name": "ALISKIREN FUMARATE", "xref": ["InChIKey:KLRSDBSKUSSCGU-KRQUFFFQSA-N", "SMILES:COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)/C=C/C(=O)O"], "synonym": ["Aliskiren fumarate", "Aliskiren hemifumarate", "Aliskiren fumarate", "Aliskiren hemifumarate", "Aliskiren fumarate", "NSC-759185", "SPP-100B", "SPP100", "Aliskiren fumarate component of amturnide  aliskiren hemifumarate", "Aliskiren fumarate component of raprazo-hct  aliskiren hemifumarate", "Aliskiren fumarate component of rasilamlo  aliskiren hemifumarate", "Aliskiren fumarate component of rasilez-hct  aliskiren hemifumarate", "Aliskiren fumarate component of rasitrio  aliskiren hemifumarate", "Aliskiren fumarate component of sprimeo-hct  aliskiren hemifumarate", "Aliskiren fumarate component of tekamlo  aliskiren hemifumarate", "Aliskiren fumarate component of tekturna hct  aliskiren hemifumarate", "Aliskiren fumarate component of valturna  aliskiren hemifumarate", "Aliskiren hemifumarate component of amturnide", "Aliskiren hemifumarate component of tekamlo", "Aliskiren hemifumarate component of valturna", "Enviage", "Rasilez", "Riprazo", "Sprimeo", "Tekturna", "Aliskiren fumarate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Renin", "xref": ["CHEMBL.TARGET:CHEMBL286"], "id": "UniProtKB:P00797", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1963683", "category": ["biolink:ChemicalEntity"], "name": "TAFLUPROST", "xref": ["InChIKey:WSNODXPBBALQOF-VEJSHDCNSA-N", "SMILES:CC(C)OC(=O)CCC/C=C\\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1O"], "synonym": ["Tafluprost", "Tafluprost", "Tafluprost", "Tafluprost", "Tafluprost", "Tafluprost", "Tafluprost", "AFP-168", "MK-2452", "Saflutan", "Zioptan", "Tafluprost"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"name": "Prostaglandin F2-alpha receptor", "xref": ["CHEMBL.TARGET:CHEMBL1987"], "id": "UniProtKB:P43088", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1051", "category": ["biolink:ChemicalEntity"], "name": "LATANOPROST", "xref": ["InChIKey:GGXICVAJURFBLW-CEYXHVGTSA-N", "SMILES:CC(C)OC(=O)CCC/C=C\\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O"], "synonym": ["Latanoprost", "Latanoprost", "Latanoprost", "Latanoprost", "Latanoprost", "Latanoprost", "Latanoprost", "Latanoprost", "Iyuzeh", "Latanoprost", "Latanoprost (isopropyl ester)", "PHXA-41", "PHXA41", "T-2345", "T2345", "XA-41", "XA41", "Catiolanze", "Iyuzeh", "Latanoprost", "Latanoprost component of rocklatan", "Latanoprost component of xalacom", "Monopost", "Xalatan", "Xelpros", "Latanoprost", "Latanoprost"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200799", "category": ["biolink:ChemicalEntity"], "name": "TRAVOPROST", "xref": ["InChIKey:MKPLKVHSHYCHOC-AHTXBMBWSA-N", "SMILES:CC(C)OC(=O)CCC/C=C\\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O"], "synonym": ["Travoprost", "Travoprost", "Travoprost", "Travoprost", "Travoprost", "Travoprost", "Travoprost", "Travoprost", "Idose tr", "Otx-tp", "Travoprost", "AL-6221", "NSC-760366", "Idose tr", "Izba", "Travatan", "Travatan z", "Travoprost", "Travoprost component of duotrav", "Travoprost", "Travoprost"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200896", "category": ["biolink:ChemicalEntity"], "name": "DINOPROST TROMETHAMINE", "xref": ["InChIKey:IYGXEHDCSOYNKY-RZHHZEQLSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\\CCCC(=O)O)[C@@H](O)C[C@H]1O.NC(CO)(CO)CO"], "synonym": ["Dinoprost trometamol", "Dinoprost trometamol", "Dinoprost tromethamine", "Dinoprost tromethamine", "Prostaglandin f2.alpha. tromethamine salt", "NSC-196515", "PGF2A THAM", "PGF2ALPHA THAM", "PGF2ALPHA-THAM", "U-14,583E", "U-14-583E", "U-14583E", "Lutalyse", "Prostaglandin f 2 alpha", "Prostin f2 alpha", "Dinoprost tromethamine", "Dinoprost tromethamine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200963", "category": ["biolink:ChemicalEntity"], "name": "BIMATOPROST", "xref": ["InChIKey:AQOKCDNYWBIDND-FTOWTWDKSA-N", "SMILES:CCNC(=O)CCC/C=C\\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O"], "synonym": ["Bimatoprost", "Bimatoprost", "Bimatoprost", "Bimatoprost", "Bimatoprost", "Bimatoprost", "Bimatoprost", "Bimatoprost", "Bimatoprost", "Prostamide", "AGN 192024", "AGN-192024", "Bimatoprost", "Bimatoprost component of ganfort", "Durysta", "Latisse", "Lumigan", "Bimatoprost"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237105", "category": ["biolink:ChemicalEntity"], "name": "CARBOPROST TROMETHAMINE", "xref": ["InChIKey:UMMADZJLZAPZAW-XOWPVRJPSA-N", "SMILES:CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C\\CCCC(=O)O)[C@@H](O)C[C@H]1O.NC(CO)(CO)CO"], "synonym": ["Carboprost trometanol", "Carboprost tromethamine", "Carboprost tromethamine salt", "Carboprost trometamol", "Carboprost tromethamine", "U-32,921E", "U-32921E", "Hemabate", "Prostin/15m", "Carboprost tromethamine", "Carboprost tromethamine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200721", "category": ["biolink:ChemicalEntity"], "name": "ESTRAMUSTINE PHOSPHATE SODIUM", "xref": ["InChIKey:IIUMCNJTGSMNRO-VVSKJQCTSA-L", "SMILES:C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]"], "synonym": ["Estramustine phosphate sodium", "Estramustine phosphate sodium hydrate", "Estramustine 17-(dihydrogenphosphate) disodium salt anhydrous", "Estramustine 17-(dihydrogenphosphate) disodium salt monohydrate", "Estramustine phosphate sodium", "Estramustine phosphate sodium monohydrate", "Estramustine sodium phosphate", "RO-218837-001", "Ro-21-8837-001", "Emcyt"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Estrogen receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL242"], "id": "UniProtKB:Q92731", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200761", "category": ["biolink:ChemicalEntity"], "name": "CHLOROTRIANISENE", "xref": ["InChIKey:BFPSDSIWYFKGBC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1"], "synonym": ["Chlorotrianisene", "Chlorotrianisene", "Chlorotrianisene", "Chlorotrianisene", "Clorotrianiseno", "Chlorotrianisene", "Adam17", "Chlorotrianisene", "Snake venom-like protease", "Tnf-alpha convertase", "Tnf-alpha-converting enzyme", "NSC-10108", "Chlorotrianisene", "Tace"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1116", "category": ["biolink:ChemicalEntity"], "name": "RALOXIFENE HYDROCHLORIDE", "xref": ["InChIKey:BKXVVCILCIUCLG-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12"], "synonym": ["Raloxifene hydrochloride", "Raloxifene hydrochloride", "Raloxifene hydrochloride", "Raloxifene hydrochloride", "Raloxifene hydrochloride", "Keoxifene hydrochloride", "Raloxifene hcl", "Raloxifene hydrochloride", "Raloxifene teva", "LY-156758", "LY156758", "NSC-706725", "Evirex", "Evista", "Optruma", "Ostiral", "Raloxifene hydrochloride", "Raloxifene teva", "Razylan", "Raloxifene hydrochloride", "Raloxifene hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201668", "category": ["biolink:ChemicalEntity"], "name": "NESIRITIDE", "synonym": ["Nesiritide", "Nesiritide", "Nesiritide recombinant", "Nesiritide", "Nesiritida", "Nesiritide", "Bnp-32", "Brain natriuretic peptide 32", "Nesiritide", "C01DX19", "Natrecor", "Nesiritide"], "chembl_availability_type": "discontinued"}
{"name": "Atrial natriuretic peptide receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1988"], "id": "UniProtKB:P16066", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201057", "category": ["biolink:ChemicalEntity"], "name": "CILASTATIN SODIUM", "xref": ["InChIKey:QXPBTTUOVWMPJN-QBNHLFMHSA-M", "SMILES:CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)[O-].[Na+]"], "synonym": ["Cilastatin sodium", "Cilastatin sodium", "Cilastatin sodium salt", "Cilastatin sodium", "MK-791", "Cilastatin sodium component of mk-7655a", "Cilastatin sodium component of primaxin", "Cilastatin sodium component of recarbrio", "Cilastatin sodium", "Cilastatin sodium"], "chembl_availability_type": "prescription only"}
{"name": "Dipeptidase 1", "xref": ["CHEMBL.TARGET:CHEMBL1989"], "id": "UniProtKB:P16444", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1489", "category": ["biolink:ChemicalEntity"], "name": "AZACITIDINE", "xref": ["InChIKey:NMUSYJAQQFHJEW-KVTDHHQDSA-N", "SMILES:Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1"], "synonym": ["Azacitidine", "Azacitidine", "Azacitidine", "Azacitidine", "Azacitidine", "Azacitidina", "Azacitidine", "Azacitidine", "5-azacitidine", "Azacitidine", "Ladakamycin", "NSC-102816", "U-18,496", "U-18496", "Azacitidine", "Azacitidine accord", "Azacitidine betapharm", "Azacitidine celgene", "Azacitidine kabi", "Azacitidine mylan", "Onureg", "Vidaza", "Azacitidine", "Azacitidine"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "DNA (cytosine-5)-methyltransferase 3A", "xref": ["CHEMBL.TARGET:CHEMBL1992"], "id": "UniProtKB:Q9Y6K1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201129", "category": ["biolink:ChemicalEntity"], "name": "DECITABINE", "xref": ["InChIKey:XAUDJQYHKZQPEU-KVQBGUIXSA-N", "SMILES:Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1"], "synonym": ["Decitabine", "Decitabine", "Decitabine", "Decitabine", "Decitabine", "Decitabine", "Decitabina", "Decitabine", "2'-deoxy-5-azacytidine", "Decitabine", "DAC", "NSC-127716", "Dacogen", "Decitabine", "Decitabine component of astx-727", "Decitabine component of astx727", "Decitabine component of inqovi", "Decitabine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "DNA (cytosine-5)-methyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL1993"], "id": "UniProtKB:P26358", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095097", "category": ["biolink:ChemicalEntity"], "name": "EPLERENONE", "xref": ["InChIKey:JUKPWJGBANNWMW-VWBFHTRKSA-N", "SMILES:COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13"], "synonym": ["Eplerenone", "Eplerenone", "Eplerenone", "Eplerenone", "Eplerenona", "Eplerenone", "Eplerenone", "Eplerenone", "SC-66110", "SC-6611O", "Eplerenone", "Inspra", "Eplerenone", "Eplerenone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Mineralocorticoid receptor", "xref": ["CHEMBL.TARGET:CHEMBL1994"], "id": "UniProtKB:P08235", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200542", "category": ["biolink:ChemicalEntity"], "name": "DESOXYCORTICOSTERONE ACETATE", "xref": ["InChIKey:VPGRYOFKCNULNK-ACXQXYJUSA-N", "SMILES:CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Desoxycortone", "Desoxycorticosterone acetate", "Desoxycortone", "Desoxicortona", "Deoxycorticosterone", "Deoxycorticosterone acetate", "11-deoxycorticosterone", "11-deoxycorticosterone acetate", "21-hydroxyprogesterone", "Deoxycorticosterone", "Desoxycorticosterone", "Desoxycorticosterone acetate", "Desoxycortone acetate", "NSC-11319", "NSC-9567", "Doca", "Percorten"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201010", "category": ["biolink:ChemicalEntity"], "name": "FLUDROCORTISONE ACETATE", "xref": ["InChIKey:SYWHXTATXSMDSB-GSLJADNHSA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Fludrocortisone acetate", "Fludrocortisone acetate", "Fludrocortisona", "Fludrocortisone 21-acetate", "Fludrocortisone acetate", "Fludrocortisoni acetas", "Fluorocortisol acetate", "Scherofluron", "NSC-15186", "Astonin", "Florinef", "Fludrocortisone acetate", "Fludrocortone", "Panotile"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1393", "category": ["biolink:ChemicalEntity"], "name": "SPIRONOLACTONE", "xref": ["InChIKey:LXMSZDCAJNLERA-ZHYRCANASA-N", "SMILES:CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12"], "synonym": ["Spironolactone", "Spironolactone", "Spironolactone", "Spironolactone", "Spironolactone", "Spironolactone", "Espironolactona", "Spironolactone", "Spironolactone", "Spironolactone", "Spironolactone ceva", "Spironolactonum", "Verospirone", "NSC-150399", "SC-9420", "Abbolactone", "Aldactone", "Carospir", "Diatensec", "Gx spironol", "Laractone", "Qaialdo", "Spiretic", "Spiroctan 100", "Spiroctan 25", "Spiroctan 50", "Spironolactone", "Spironolactone ceva", "Spironolactone component of aldactazide", "Spironolactone component of cardalis", "Spirospare 100", "Spirospare 25", "Spironolactone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200592", "category": ["biolink:ChemicalEntity"], "name": "DESOXYCORTICOSTERONE PIVALATE", "xref": ["InChIKey:VVOIQBFMTVCINR-WWMZEODYSA-N", "SMILES:CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Desoxycorticosterone pivalate", "Desoxycortone pivalate", "Desoxycorticosterone pivalate", "Desoxycorticosterone pivalate", "NSC-95278", "Percorten", "Zycortal", "Desoxycorticosterone pivalate", "Desoxycorticosterone trimethylacetate"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1509", "category": ["biolink:ChemicalEntity"], "name": "DROSPIRENONE", "xref": ["InChIKey:METQSPRSQINEEU-HXCATZOESA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12"], "synonym": ["Drospirenone", "Drospirenone", "Drospirenone", "Drospirenone", "Drospirenona", "Drospirenone", "Drospirenone", "Drospirenone", "NSC-760103", "ZK 30595", "ZK-30595", "Drospirenone component of angeliq", "Drospirenone component of beyaz", "Drospirenone component of nextstellis", "Drospirenone component of safyral", "Drospirenone component of yasmin", "Drospirenone component of yaz", "Slynd", "Drospirenone", "Drospirenone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1428", "category": ["biolink:ChemicalEntity"], "name": "NIMODIPINE", "xref": ["InChIKey:UIAGMCDKSXEBJQ-UHFFFAOYSA-N", "SMILES:COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1"], "synonym": ["Nimodipine", "Nimodipine", "Nimodipine", "Nimodipine", "Nimodipine", "Nimodipino", "Nimodipine", "Nimodipine", "Admon", "Nemotan", "Nimodipine", "Nimodipine ap", "Periplum", "BAY E 9736", "BAY-E-9736", "NSC-758476", "Nimodipine", "Nimotop", "Nymalize", "Nimodipine", "Nimodipine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1480", "category": ["biolink:ChemicalEntity"], "name": "FELODIPINE", "xref": ["InChIKey:RZTAMFZIAATZDJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl"], "synonym": ["Felodipine", "Felodipine", "Felodipine", "Felodipine", "Felodipine", "Felodipino", "Felodipine", "Felodipine", "Felodipine", "C08CA02", "H 154/82", "H-154/82", "NSC-760343", "Cabren", "Cardioplen xl", "Felodipine", "Felodipine component of lexxel", "Felogen xl", "Felotens xl", "Folpik xl", "Keloc sr", "Neofel xl", "Parmid xl", "Pinefeld xl", "Plendil", "Preslow", "Vascalpha", "Felodipine", "Felodipine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237119", "category": ["biolink:ChemicalEntity"], "name": "TREPROSTINIL", "xref": ["InChIKey:PAJMKGZZBBTTOY-ZFORQUDYSA-N", "SMILES:CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O"], "synonym": ["Treprostinil", "Treprostinil", "Tresprostinil", "Treprostinil", "Treprostinilo", "Treprostinil", "Rumodolin", "Treprostinil", "Uniprost", "15-AU-81", "15AU81", "L-606", "L606", "LRX -15", "LRX-15", "UT-15", "Remodulin", "Tyvaso", "Tyvaso dpi", "Treprostinil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Prostacyclin receptor", "xref": ["CHEMBL.TARGET:CHEMBL1995"], "id": "UniProtKB:P43119", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494", "category": ["biolink:ChemicalEntity"], "name": "ILOPROST", "xref": ["InChIKey:HIFJCPQKFCZDDL-ACWOEMLNSA-N", "SMILES:CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O"], "synonym": ["Iloprost", "Iloprost", "Iloprost", "Iloprost", "Iloprost", "Iloprost", "Aurlumyn", "Ciloprost", "Endoprost", "Ilomedin", "Iloprost", "ZK 00036374", "ZK-00036374", "ZK-36374", "Aurlumyn", "Ventavis", "Iloprost"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL962", "category": ["biolink:ChemicalEntity"], "name": "EPOPROSTENOL SODIUM", "xref": ["InChIKey:LMHIPJMTZHDKEW-XQYLJSSYSA-M", "SMILES:CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)[O-])O[C@H]2C[C@H]1O.[Na+]"], "synonym": ["Epoprostenol sodium", "Epoprostenolsodium", "Epoprostenol sodium", "Epoprostenol sodium", "Prostacyclin sodium salt", "Epoprostenol sodium", "Sodium prostacyclin", "U-53,217A", "U-53217A", "Epoprostenol sodium", "Flolan", "Veletri", "Epoprostenol sodium", "Epoprostenol sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989695", "category": ["biolink:ChemicalEntity"], "name": "REGADENOSON", "xref": ["InChIKey:CDQVVPUXSPZONN-WPPLYIOHSA-N", "SMILES:CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1.O"], "synonym": ["Regadenoson", "Regadenoson", "Regadenoson", "Regadenoson", "Regadenoson", "Regadenoson hydrate", "Regadenoson monohydrate", "Rapiscan", "Regadenoson", "Regadenoson hydrate", "Regadenoson monohydrate", "CVT-3146", "Lexiscan", "Rapiscan", "Regadenoson"], "chembl_availability_type": "prescription only"}
{"name": "Adenosine receptor A2a", "xref": ["CHEMBL.TARGET:CHEMBL251"], "id": "UniProtKB:P29274", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201567", "category": ["biolink:ChemicalEntity"], "name": "FILGRASTIM", "synonym": ["Filgrastim", "Filgrastim", "Filgrastim", "Filgrastim", "Filgrastim", "Filgrastim-aafi", "Filgrastim-sndz", "Tbo-filgrastim", "Filgrastim", "Filgrastim", "Granulocyte colony-stimulating factor filgrastim", "Ep2006", "Filgrastim", "Filgrastim aafi", "Filgrastim ayow", "Filgrastim sndz", "Recombinant human granulocyte colony-stimulating factor", "Tbo filgrastim", "EP-2006", "FSK-0808", "FSK0808", "KRN-8601", "MBRI-9901", "PF-06881893", "PF06881893", "R-METHUG-CSF", "TX-01", "TX01", "XM-02", "XM02", "Accofil", "Biograstim", "Filgrastim hexal", "Filgrastim ratiopharm", "Gran 300", "Gran injection 150", "Granix", "Grastofil", "Neupogen", "Neupogen 30", "Neupogen 48", "Nivestim", "Nivestym", "Nypozi", "Ratiograstim", "Releuko", "Tevagrastim", "Zarxio", "Zarzio", "Filgrastim", "Filgrastim", "Filgrastim for bioassay"], "chembl_availability_type": "prescription only"}
{"name": "Granulocyte colony-stimulating factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL1996"], "id": "UniProtKB:Q99062", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201568", "category": ["biolink:ChemicalEntity"], "name": "PEGFILGRASTIM", "synonym": ["Pegfilgrastim", "Pegfilgrastim", "Pegfilgrastim", "Pegfilgrastim", "Pegfilgrastim", "Pegfilgrastim", "Pegfilgrastim", "Granulocyte colony-stimulating factor pegfilgrastim", "B-12019", "B12019", "Cegfila", "Chs-1701", "Fulphila", "Fylnetra", "Hsp-130", "La-ep2006", "Lupifil-p", "Msb-11455", "Msb11455", "Neupopeg", "Nyvepria", "Peg-filgrastim", "Pegfilgrastim", "Pegfilgrastim (neulasta)", "Pegfilgrastim apgf", "Pegfilgrastim biosimilar (lupin)", "Pegfilgrastim biosimilar (pfizer)", "Pegfilgrastim biosimilar (sandoz)", "Pegfilgrastim biosimilar - lupin", "Pegfilgrastim bmez", "Pegfilgrastim cbqv", "Pegfilgrastim fpgk", "Pegfilgrastim jmdb", "Pegfilgrastim pbbk", "Pegfilgrastim-apgf", "Pegfilgrastim-bmez", "Pegfilgrastim-cbqv", "Pegfilgrastim-fpgk", "Pegfilgrastim-jmdb", "Pegfilgrastim-ljfd", "Pegfilgrastim-pbbk", "Pegylated granulocyte colony stimulating factor", "Pelmeg", "Pf-06881894", "Ql-0605", "Ql0605", "Stimufend", "Udenyca", "Ziextenzo", "LA EP 2006", "LA EP-2006", "MYL-1401H", "TPI-120", "Cegfila (previously pegfilgrastim mundipharma)", "Fulphila", "Grasustek", "Neulasta", "Neulasta sureclick", "Neupopeg", "Nyvepria", "Pelgraz", "Pelmeg", "Ristempa", "Stimufend", "Udenyca", "Ziextenzo", "Pegfilgrastim", "Pegfilgrastim for bioassay"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL932", "category": ["biolink:ChemicalEntity"], "name": "DIPYRIDAMOLE", "xref": ["InChIKey:IZEKFCXSFNUWAM-UHFFFAOYSA-N", "SMILES:OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1"], "synonym": ["Dipyridamole", "Dipyridamole", "Dipyridamole", "Dipyridamole", "Dipyridamole", "Dipiridamol", "Dipyridamole", "Dipyridamole", "Dipyridamole", "B01AC07", "NSC-515776", "RA-8", "Attia", "Cerebrovase 100", "Cerebrovase 25", "Dipyridamole", "Dipyridamole component of aggrenox", "Iv persantine", "Modaplate", "Ofcram pr", "Persantin", "Persantin ret", "Persantine", "Pyridantin", "Vasyrol", "Dipyridamole", "Dipyridamole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Equilibrative nucleoside transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL1997"], "id": "UniProtKB:Q99808", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1286", "category": ["biolink:ChemicalEntity"], "name": "LEVETIRACETAM", "xref": ["InChIKey:HPHUVLMMVZITSG-LURJTMIESA-N", "SMILES:CC[C@@H](C(N)=O)N1CCCC1=O"], "synonym": ["Levetiracetam", "Levetiracetam", "Levetiracetam", "Levetiracetam", "Levetiracetam", "Levetiracetam", "Levetiracetam", "Levetiracetam", "Elepsia", "Levetiracetam", "Levetiracetam accord", "Levetiracetam actavis", "Levetiracetam hospira", "Levetiracetam sun", "Levetiracetam teva", "Levetiracetame", "AGB-101", "N03AX14", "NSC-760119", "UCB 22059", "UCB L059", "UCB-22059", "UCB-L059", "Desitrend", "Elepsia xr", "Keppra", "Keppra xr", "Levetiracetam", "Levetiracetam accord", "Levetiracetam actavis", "Levetiracetam actavis group", "Levetiracetam hospira", "Levetiracetam in sodium chloride", "Levetiracetam ratiopharm", "Levetiracetam sun", "Levetiracetam teva", "Matever", "Spritam", "Levetiracetam", "Levetiracetam"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Synaptic vesicle glycoprotein 2A", "xref": ["CHEMBL.TARGET:CHEMBL1998"], "id": "UniProtKB:Q7L0J3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201837", "category": ["biolink:ChemicalEntity"], "name": "ECALLANTIDE", "synonym": ["Ecallantide", "Ecallantide", "Ecallantide", "Ecalantida", "Ecallantide", "Ecallantide", "Ecallantide", "Escallantide", "DX-88", "Ecallantide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Plasma kallikrein", "xref": ["CHEMBL.TARGET:CHEMBL2000"], "id": "UniProtKB:P03952", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1265", "category": ["biolink:ChemicalEntity"], "name": "ADAPALENE", "xref": ["InChIKey:LZCDAPDGXCYOEH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2"], "synonym": ["Adapalene", "Adapalene", "Adapalene", "Adapalene", "Adapalene", "Adapaleno", "Adapalene", "Adapalene", "Adapalene", "CD 271", "CD-271", "Adapalene", "Adapalene component of cabtreo", "Adapalene component of epiduo", "Adapalene component of idp-126", "Differin", "Adapalene", "Adapalene"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.TARGET:CHEMBL2363069", "category": ["biolink:ProteinFamily"], "name": "Retinoic acid receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL614", "category": ["biolink:ChemicalEntity"], "name": "PYRAZINAMIDE", "xref": ["InChIKey:IPEHBUMCGVEMRF-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnccn1"], "synonym": ["Pyrazinamide", "Pyrazinamide", "Pyrazinamide", "Pyrazinamide", "Pirazinamida", "Pyrazinamide", ".alpha.-pyrazinamide", "Aldinamid", "Aldinamide", "Eprazin", "Farmizina", "Isopas", "Novamid", "Pirazimida", "Pirazinamid", "Pyramizade", "Pyrazide", "Pyrazinamide", "Pyrazinamidum", "Pyrazine carboxylamide", "Rozide", "Unipyranamide", "Zinamide", "D-50", "MK-56", "NSC-14911", "Pirilene", "Pyrafat", "Pyrazinamide", "Pyrazinamide component of rifater", "Tebrazid"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Fatty acid synthase", "synonym": ["Probable fatty acid synthase Fas (Fatty acid synthetase)"], "xref": ["CHEMBL.TARGET:CHEMBL2011"], "id": "UniProtKB:P95029", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL712", "category": ["biolink:ChemicalEntity"], "name": "ANISINDIONE", "xref": ["InChIKey:XRCFXMGQEVUZFC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(=O)c3ccccc3C2=O)cc1"], "synonym": ["Anisindione", "Anisindione", "Anisindiona", "NSC-759629", "Miradon"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Vitamin K-dependent gamma-carboxylase", "xref": ["CHEMBL.TARGET:CHEMBL2012"], "id": "UniProtKB:P38435", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1539", "category": ["biolink:ChemicalEntity"], "name": "SULFADOXINE", "xref": ["InChIKey:PJSFRIWCGOHTNF-UHFFFAOYSA-N", "SMILES:COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC"], "synonym": ["Sulfadoxine", "Sulfadoxine", "Sulfadoxine", "Sulfadoxina", "Sulfadoxine", "Sulfadoxine", "Fanasulf", "Sulfadoxin", "Sulfadoxine", "Sulfadoxinum", "Sulphadoxine", "J21.373J", "NSC-759319", "RO 4-4393", "RO-4-4393", "RO-44393", "WR-4073", "Sulfadoxine component of fansidar", "Sulforthamidine", "Sulphormethoxine", "Sulfadoxine", "Sulfadoxine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Dihydropteroate synthetase", "synonym": ["7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase"], "xref": ["CHEMBL.TARGET:CHEMBL2013"], "id": "UniProtKB:Q25704", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201056", "category": ["biolink:ChemicalEntity"], "name": "SULFACYTINE", "xref": ["InChIKey:SIBQAECNSSQUOD-UHFFFAOYSA-N", "SMILES:CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O"], "synonym": ["Sulfacytine", "Sulfacytine", "Sulfacitine", "Sulfacitina", "CI-636", "NSC-356717", "Renoquid", "Sulfacytine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Proto-oncogene tyrosine-protein kinase Src", "xref": ["CHEMBL.TARGET:CHEMBL267"], "id": "UniProtKB:P12931", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24828", "category": ["biolink:ChemicalEntity"], "name": "VANDETANIB", "xref": ["InChIKey:UHTHHESEBZOYNR-UHFFFAOYSA-N", "SMILES:COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1"], "synonym": ["Vandetanib", "Vandetanib", "Vandetanib", "Vandetanib", "Vandetanib", "Vandetanib", "Vandetanib", "Vandetanib", "Vandetanib", "GNF-PF-2188", "NSC-744325", "NSC-760766", "ZD-64", "ZD-6474", "ZD6474", "Caprelsa", "Zactima", "Vandetanib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1373", "category": ["biolink:ChemicalEntity"], "name": "MODAFINIL", "xref": ["InChIKey:YFGHCGITMMYXAQ-UHFFFAOYSA-N", "SMILES:NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1"], "synonym": ["Modafinil", "Modafinil", "Modafinil", "Modafinil", "Modafinil", "Modafinilo", "Modafinil", "Modafinil", "Modafinil", "Modaphonil", "Modiodal", "CEP 1538", "CEP-1538", "CRC-40476", "CRL 40476", "CRL-40476", "DEP-1538", "MODAFINIL COMPONENT OF THN-102", "MODAFINIL COMPONENT OF THN102", "NSC-751178", "NSC-759110", "Modafinil", "Provigil", "Modafinil", "Modafinil", "Modafinil civ"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Sodium-dependent dopamine transporter", "xref": ["CHEMBL.TARGET:CHEMBL238"], "id": "UniProtKB:Q01959", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201192", "category": ["biolink:ChemicalEntity"], "name": "ARMODAFINIL", "xref": ["InChIKey:YFGHCGITMMYXAQ-LJQANCHMSA-N", "SMILES:NC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1"], "synonym": ["Armodafinil", "Armodafinil", "Armodafinil", "Armodafinilo", "Armodafinil", "Modafinil, (r)-", "R-(-)-modafinil", "CEP-10952", "CEP-10953", "CRL-40982", "NSC-751850", "NSC-758711", "Armodafinil", "Nuvigil", "Armodafinil", "Armodafinil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200377", "category": ["biolink:ChemicalEntity"], "name": "AMPHETAMINE ASPARTATE", "xref": ["InChIKey:DYOBNLAYPQSBLB-UHFFFAOYSA-N", "SMILES:CC(N)Cc1ccccc1.NC(CC(=O)O)C(=O)O"], "synonym": ["Amphetamine aspartate", "Amfetamine aspartate", "Amphetamine aspartate", "Amphetamine aspartate component of mydayis"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL405", "category": ["biolink:ChemicalEntity"], "name": "AMPHETAMINE", "xref": ["InChIKey:KWTSXDURSIMDCE-UHFFFAOYSA-N", "SMILES:CC(N)Cc1ccccc1"], "synonym": ["Amfetamine", "Amphetamine", "Amphetamine resin complex", "Amfetamine", "Anfetamina", "Amphetamine", "Amfetamin", "Amfetamine", "Amphetamine", "Amphetamine, dl-", "Dyanavel", "Norephedrane", "NSC-27159", "Adzenys er", "Adzenys xr-odt", "Dyanavel xr", "Mydayis (mixed salts of a single entity)"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL501", "category": ["biolink:ChemicalEntity"], "name": "AMPHETAMINE SULFATE", "xref": ["InChIKey:SOFQDLYSFOWTJX-UHFFFAOYSA-N", "SMILES:CC(N)Cc1ccccc1.O=S(=O)(O)O"], "synonym": ["Amfetamine sulfate", "Amphetamine sulfate", "Amphetamine sulfate", "Amfetamine sulfate", "Amfetamine sulphate", "Amphetamine sulfate", "Astedin", "Benzedrine", "Dl-amphetamine sulfate", "Dl-amphetamine sulphate", "NSC-170999", "Amphetamine sulfate", "Amphetamine sulfate component of delcobese", "Amphetamine sulfate component of mydayis", "Evekeo", "Evekeo odt"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201735", "category": ["biolink:ChemicalEntity"], "name": "BUPROPION HYDROBROMIDE", "xref": ["InChIKey:WSTCENNATOVXKQ-UHFFFAOYSA-N", "SMILES:Br.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1"], "synonym": ["Bupropion hydrobromide", "Bupropion hydrobromide", "Bupropion hbr", "Bupropion hydrobromide", "BVF-033", "Aplenzin", "Bupropion hydrobromide", "Bupropion hydrobromide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1698", "category": ["biolink:ChemicalEntity"], "name": "BUPROPION HYDROCHLORIDE", "xref": ["InChIKey:HEYVINCGKDONRU-UHFFFAOYSA-N", "SMILES:CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl"], "synonym": ["Bupropion hydrochloride", "Bupropion hydrochloride", "Bupropion hydrochloride", "Bupropion hydrochloride", "Amfebutamone hydrochloride", "Bupropion hcl", "Bupropion hydrochloride", "Mysimba", "BW 323", "BW-323", "BW323", "NSC-315851", "Bupropion hydrochloride", "Bupropion hydrochloride component of auvelity", "Bupropion hydrochloride component of contrave", "Forfivo xl", "Wellbutrin", "Wellbutrin 100", "Wellbutrin 75", "Wellbutrin sr", "Wellbutrin xl", "Zyban", "Bupropion hydrochloride", "Bupropion hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL904", "category": ["biolink:ChemicalEntity"], "name": "DEXMETHYLPHENIDATE HYDROCHLORIDE", "xref": ["InChIKey:JUMYIBMBTDDLNG-OJERSXHUSA-N", "SMILES:COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1.Cl"], "synonym": ["Dexmethylphenidate hydrochloride", "Dexmethylphenidate hydrochloride", "Methylphenidate d-threo-form hydrochloride", "Dex-methylphenidate hydrochloride", "Dexmethylphenidate hcl", "Dexmethylphenidate hydrochloride", "Dexmethylphenidate hydrochloride", "Dexmethylphenidate hydrochloride component of azstarys", "Focalin", "Focalin xr", "Dexmethylphenidate hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200387", "category": ["biolink:ChemicalEntity"], "name": "AMPHETAMINE ADIPATE", "xref": ["InChIKey:OFCJKOOVFDGTLY-UHFFFAOYSA-N", "SMILES:CC(N)Cc1ccccc1.O=C(O)CCCCC(=O)O"], "synonym": ["Amphetamine adipate", "Amfetamine adipate", "Amphetamine adipate component of delcobese"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL612", "category": ["biolink:ChemicalEntity"], "name": "DEXTROAMPHETAMINE", "xref": ["InChIKey:KWTSXDURSIMDCE-QMMMGPOBSA-N", "SMILES:C[C@H](N)Cc1ccccc1"], "synonym": ["Dexamfetamine", "Dexamfetamine", "Dexamphetamine", "Dextroamphetamine", "Dextroamphetamine resin complex", "Dexamfetamine", "Dexanfetamina", "Dextroamphetamine", "Amfetamine, (s)-", "Amphetamine, d-", "D-amphetamine", "Dexamfetamine", "Dexidrine", "Dextroamphetamine", "Xelstrym", "NSC-73713", "Xelstrym", "Dextroamphetamine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200782", "category": ["biolink:ChemicalEntity"], "name": "DEXTROAMPHETAMINE ADIPATE", "xref": ["InChIKey:OFCJKOOVFDGTLY-QRPNPIFTSA-N", "SMILES:C[C@H](N)Cc1ccccc1.O=C(O)CCCCC(=O)O"], "synonym": ["Dextroamphetamine adipate", "D-amphetamine adipate", "Dextroamphetamine adipate component of delcobese"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544971", "category": ["biolink:ChemicalEntity"], "name": "DEXTROAMPHETAMINE SULFATE", "xref": ["InChIKey:PYHRZPFZZDCOPH-QXGOIDDHSA-N", "SMILES:C[C@H](N)Cc1ccccc1.C[C@H](N)Cc1ccccc1.O=S(=O)(O)O"], "synonym": ["Dexamfetamine sulfate", "Dextroamphetamine sulfate", "Dextroamphetamine sulfate", "D-amphetamine hemisulfate salt", "Dexamfetamine sulfate", "Dexamphetamine sulfate", "Dexamphetamine sulphate", "Dextroamphetamine sulfate", "Dextroamphetamine sulphate", "NSC-27104", "Dexampex", "Dexedrine", "Dexedrine spansule", "Dextroamphetamine sulfate", "Dextroamphetamine sulfate component of delcobese", "Dextroamphetamine sulfate component of mydayis", "Dextrostat", "Ferndex", "Dextroamphetamine sulfate cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989844", "category": ["biolink:ChemicalEntity"], "name": "DEXTROAMPHETAMINE SACCHARATE", "xref": ["InChIKey:VHKVKWTWHZUFIA-DGOKBZBKSA-N", "SMILES:C[C@H](N)Cc1ccccc1.O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O"], "synonym": ["Dextroamphetamine saccharate", "D-amphetamine saccharate", "Dexamfetamine hemisaccharate", "Dexamfetamine saccharate", "Dexamfetaphine saccharate", "Dextroamphetamine saccharate component of mydayis"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1693", "category": ["biolink:ChemicalEntity"], "name": "DIETHYLPROPION HYDROCHLORIDE", "xref": ["InChIKey:ICFXZZFWRWNZMA-UHFFFAOYSA-N", "SMILES:CCN(CC)C(C)C(=O)c1ccccc1.Cl"], "synonym": ["Diethylpropion hydrochloride", "Diethylpropion hydrochloride", "Diethylpropion hydrochloride", "Amfepramone hydrochloride", "Anorex", "Diethylpropion hcl", "Dobesin", "Moderatan", "Prefamone", "Regenon", "D03801", "Apisate", "Diethylpropion hydrochloride", "Tenuate", "Tenuate dospan", "Tepanil", "Tepanil ten-tab", "Diethylpropion hydrochloride civ"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201178", "category": ["biolink:ChemicalEntity"], "name": "LISDEXAMFETAMINE DIMESYLATE", "xref": ["InChIKey:CETWSOHVEGTIBR-FORAGAHYSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN"], "synonym": ["Lisdexamfetamine dimesylate", "Lisdexamfetamine dimesylate", "Lisdexamfetamine mesilate", "Lisdexamfetamine dimethanesulfonate", "Lisdexamfetamine dimesilate", "Lisdexamfetamine dimesylate", "Lisdexamfetamine mesilate", "Lisdexamphetamine dimesilate", "Tyvense", "NRP-104", "NRP104", "SPD-489", "SPD489", "Elvanse", "Elvanse adult", "Vyvanse", "Lisdexamfetamine dimesylate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1722", "category": ["biolink:ChemicalEntity"], "name": "METHYLPHENIDATE HYDROCHLORIDE", "xref": ["InChIKey:JUMYIBMBTDDLNG-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccccc1)C1CCCCN1.Cl"], "synonym": ["Methylphenidate hydrochloride", "Methylphenidate hydrochloride", "Methylphenidate hydrochloride", "Aptensio", "Aptensio xr", "Foquest", "Metadate", "Methylphenidate hcl", "Methylphenidate hydrochloride", "Oros mph", "Quillichew", "Quillivant", "NSC-169868", "SPD-544", "SPD544", "Adhansia xr", "Aptensio xr", "Concerta", "Delmosart", "Equasym", "Equasym xl", "Jornay pm", "Matoride xl", "Medikinet", "Medikinet xl", "Metadate cd", "Metadate er", "Methylin", "Methylin er", "Methylphenidate hydrochloride", "Quillichew er", "Quillivant xr", "Relexxii", "Ritalin", "Ritalin la", "Ritalin sr", "Ritalin-sr", "Tranquilyn", "Xenidate xl", "Methylphenidate hydrochloride cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL796", "category": ["biolink:ChemicalEntity"], "name": "METHYLPHENIDATE", "xref": ["InChIKey:DUGOZIWVEXMGBE-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccccc1)C1CCCCN1"], "synonym": ["Methylphenidate", "Methylphenidate", "Methylphenidate", "Methylphenidate", "Metilfenidato", "Methylphenidate", "Methylphenidate", "Methylphenidate extended release", "Prc-063", "Threo-dl-methylphenidate", "Cotempla xr-odt", "Daytrana", "Methylphenidate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2062163", "category": ["biolink:ChemicalEntity"], "name": "PHENDIMETRAZINE TARTRATE", "xref": ["InChIKey:VEPOHXYIFQMVHW-XOZOLZJESA-N", "SMILES:C[C@H]1[C@H](c2ccccc2)OCCN1C.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Phendimetrazine tartrate", "Phendimetrazine bitartrate", "Adipost", "Appecon", "Azophenylene", "Phendimetrazine bitartrate", "Phendimetrazine hydrogen tartrate", "Phendimetrazine tartrate ciii", "NSC-13157", "Adphen", "Alphazine", "Bontril", "Bontril pdm", "Cam-metrazine", "Di-metrex", "Melfiat", "Melfiat-105", "Metra", "Phenazine", "Phenazine-35", "Phendimetrazine tartrate", "Plegine", "Sprx-105", "Sprx-3", "Statobex", "Statobex-g", "X-trozine", "X-trozine l.a."], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200483", "category": ["biolink:ChemicalEntity"], "name": "PHENMETRAZINE HYDROCHLORIDE", "xref": ["InChIKey:VJNXVAVKCZJOFQ-UHFFFAOYSA-N", "SMILES:CC1NCCOC1c1ccccc1.Cl"], "synonym": ["Phenmetrazine hydrochloride", "Phenmetrazine hcl", "NSC-405728", "Preludin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237055", "category": ["biolink:ChemicalEntity"], "name": "HYDROMORPHONE HYDROCHLORIDE", "xref": ["InChIKey:XHILEZUETWRSHC-NRGUFEMZSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5.Cl"], "synonym": ["Hydromorphone hydrochloride", "Hydromorphone hydrochloride", "Hydromorphone hydrochloride", "Hydromorphone hcl", "Hydromorphone hydrochloride", "NSC-117862", "Dilaudid", "Dilaudid-hp", "Exalgo", "Hydromorphone hydrochloride", "Palladone", "Palladone-sr", "Hydromorphone hydrochloride cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Mu-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL233"], "id": "UniProtKB:P35372", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989826", "category": ["biolink:ChemicalEntity"], "name": "OXYCODONE TEREPHTHALATE", "xref": ["InChIKey:BTEYIHUKHHAVAN-KDKWOIFOSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.O=C(O)c1ccc(C(=O)O)cc1"], "synonym": ["Oxycodone terephthalate", "Oxycodone terephthalate component of codoxy", "Oxycodone terephthalate component of percodan", "Oxycodone terephthalate component of percodan-demi", "Oxycodone terephthalate component of roxiprin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1707", "category": ["biolink:ChemicalEntity"], "name": "LOPERAMIDE HYDROCHLORIDE", "xref": ["InChIKey:PGYPOBZJRVSMDS-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl"], "synonym": ["Loperamide hydrochloride", "Loperamide hydrochloride", "Loperamide hydrochloride", "Loperamide hydrochloride", "Loperamide hcl", "Loperamide hydrochloride", "Loperamidi hydrochloridum", "NSC-696356", "R 18,553", "R-18553", "Arret", "Diah-limit", "Diaquitte", "Diareze", "Diarrhoea relief", "Diasorb", "Diocalm", "Diocaps", "Dioraleze", "Entrocalm", "Gppe pack", "Imodium", "Imodium a-d", "Imodium a-d ez chews", "Imodium advanced", "Imodium classic", "Imodium ibs relief", "Imodium instant melts", "Imodium instants", "Imodium liquicaps", "Lodiar", "Loperagen", "Loperamide hydrochloride", "Loperamide hydrochloride component of imodium multi-symptom relief", "Norimode", "Normaloe", "Loperamide hydrochloride", "Loperamide hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237065", "category": ["biolink:ChemicalEntity"], "name": "TRAMADOL HYDROCHLORIDE", "xref": ["InChIKey:PPKXEPBICJTCRU-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl"], "synonym": ["Tramadol hydrochloride", "Tramadol hydrochloride", "Tramadol hydrochloride", "Tramadol hydrochloride", "Amadol", "Contramal", "Tradonal", "Tramadol hcl", "Tramadol hydrochloride", "Tramal", "Zamudol", "Zertane", "CG-315", "CG-315E", "NIH-10969", "NSC-759105", "U-26,225A", "U-26225A", "Aceon", "Conzip", "Dromadol sr", "Dromadol xl", "Invodol sr", "Larapam sr", "Mabron", "Maneo", "Marol", "Maxitram sr", "Nobligan ret", "Oldaram", "Qdolo", "Rybix odt", "Ryzolt", "Tilodol sr", "Tradorec xl", "Tramacet", "Tramadol hydrochloride", "Tramadol hydrochloride component of seglentis", "Tramadol hydrochloride component of ultracet", "Tramake", "Tramake insts", "Tramquel sr", "Tramulief sr", "Ultram", "Ultram er", "Zamadol", "Zamadol 24hr", "Zamadol melt", "Zamadol sr", "Zeridame sr", "Zydol", "Zydol sr", "Zydol xl", "Tramadol hydrochloride", "Tramadol hydrochloride", "Tramadol hydrochloride civ"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200531", "category": ["biolink:ChemicalEntity"], "name": "ALFENTANIL HYDROCHLORIDE", "xref": ["InChIKey:AQORHZJDCHLLJN-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1.Cl"], "synonym": ["Alfentanil hydrochloride", "Alfentanil hydrochloride", "Alfentanil hydrochloride", "Alfentanil hydrochloride monohydrate", "Alfentanil hydrochloride", "R 39,209", "R 39209", "R-39,209", "R-39209", "Alfenta", "Rapifen", "Rapifen conc", "Rapifen dilute", "Rapifen intensive care", "Alfentanil hydrochloride", "Alfentanil hydrochloride", "Alfentanil hydrochloride cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200599", "category": ["biolink:ChemicalEntity"], "name": "DIFENOXIN HYDROCHLORIDE", "xref": ["InChIKey:VMIZTXDGZPTKIK-UHFFFAOYSA-N", "SMILES:Cl.N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1"], "synonym": ["Difenoxin hydrochloride", "Difenoxin hcl", "Difenoxine hydrochloride", "R 15,403", "R-15403", "R-15403 (AS HYDROCHLORIDE)", "Difenoxin hydrochloride component of motofen"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200665", "category": ["biolink:ChemicalEntity"], "name": "DIPHENOXYLATE HYDROCHLORIDE", "xref": ["InChIKey:SHTAFWKOISOCBI-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.Cl"], "synonym": ["Diphenoxylate hydrochloride", "Diphenoxylate hydrochloride", "Diphenoxylate hcl", "Diphenoxylate hydrochloride", "Diphenoxylati hydrochloridum", "R-1132 (ANTIPERISTALTIC)", "Diphenoxylate hydrochloride component of colonaid", "Diphenoxylate hydrochloride component of di-atro", "Diphenoxylate hydrochloride component of lo-trol", "Diphenoxylate hydrochloride component of logen", "Diphenoxylate hydrochloride component of lomanate", "Diphenoxylate hydrochloride component of lomotil", "Diphenoxylate hydrochloride component of lonox", "Diphenoxylate hydrochloride component of low-quel", "Diphenoxylate hydrochloride cii"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201159", "category": ["biolink:ChemicalEntity"], "name": "FENTANYL HYDROCHLORIDE", "xref": ["InChIKey:LHCBOXPPRUIAQT-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl"], "synonym": ["Fentanyl hydrochloride", "Fentanyl hydrochloride", "Fentanyl hydrochloride", "Fentanyl hcl", "Fentanyl hydrochloride", "Ionsys"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL688", "category": ["biolink:ChemicalEntity"], "name": "FENTANYL CITRATE", "xref": ["InChIKey:IVLVTNPOHDFFCJ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Fentanyl citrate", "Fentanyl citrate", "Fentanyl citrate", "Fentanyl citrate", "Fentanyl citrate", "Fentanyl buccal", "Fentanyl citrate", "Instanyl", "Kw-2246", "Leptanal", "MCN-JR-4263-49", "R-4263", "Abstral", "Actiq", "Effentora", "Fentanyl citrate", "Fentanyl citrate component of innovar", "Fentanyl citrate preservative free", "Fentora", "Instanyl", "Lazanda", "Onsolis", "Pecfent", "Sublimaze", "Sublimaze preservative free", "Thalamonal", "Fentanyl citrate", "Fentanyl citrate", "Fentanyl citrate cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200890", "category": ["biolink:ChemicalEntity"], "name": "OXYCODONE HYDROCHLORIDE", "xref": ["InChIKey:MUZQPDBAOYKNLO-RKXJKUSZSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.Cl"], "synonym": ["Oxycodone hydrochloride", "Oxycodone hydrochloride", "Oxycodone hydrochloride", "Oxycodone hydrochloride", "Anhydrous oxycodone hydrochloride", "Endocodone", "Oxecta", "Oxycodone hcl", "Oxycodone hydrochloride", "Abtard", "Candox", "Carexil", "Dolocodon pr", "Leveraxo", "Longtec", "Lynlor", "Oxaydo", "Oxeltra", "Oxycodone hydrochloride", "Oxycodone hydrochloride component of codoxy", "Oxycodone hydrochloride component of combunox", "Oxycodone hydrochloride component of oxycet", "Oxycodone hydrochloride component of percocet", "Oxycodone hydrochloride component of percodan", "Oxycodone hydrochloride component of percodan-demi", "Oxycodone hydrochloride component of roxicet", "Oxycodone hydrochloride component of roxilox", "Oxycodone hydrochloride component of roxiprin", "Oxycodone hydrochloride component of targiniq", "Oxycodone hydrochloride component of troxyca", "Oxycodone hydrochloride component of tylox", "Oxycodone hydrochloride component of xartemis", "Oxycontin", "Oxylan", "Oxynorm", "Reltebon", "Roxicodone", "Roxybond", "Shortec", "Zomestine", "Oxycodone hydrochloride", "Oxycodone hydrochloride", "Oxycodone hydrochloride cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103744", "category": ["biolink:ChemicalEntity"], "name": "MORPHINE SULFATE", "xref": ["InChIKey:GRVOTVYEFDAHCL-RTSZDRIGSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.O.O.O.O.O.O=S(=O)(O)O"], "synonym": ["Morphine sulfate", "Morphine sulfate", "Morphine sulfate hydrate", "Morphine sulfate anhydrous", "Morphine sulfate pentahydrate", "Arymo", "Astramorph", "Dolcontin", "Kapanol", "Morcap", "Morphine sulfate", "Morphine sulfate hydrate", "Morphine sulfate pentahydrate", "Morphine sulfate,anhydrous", "Morphine sulphate", "Morphine sulphate anhydrous", "Morphine sulphate pentahydrate", "Morphini sulfas", "Moscontin", "NSC-11441", "Arymo er", "Astramorph pf", "Avinza", "Depodur", "Duramorph", "Duramorph pf", "Duromorph", "Filnarine sr", "Infumorph", "Kadian", "Moraxen", "Morcap sr", "Morphabond", "Morphabond er", "Morphgesic sr", "Morphine sulfate", "Morphine sulfate (autoinjector)", "Morphine sulfate component of embeda", "Ms contin", "Msir", "Mst continus", "Oramorph", "Oramorph sr", "Oramorph udv", "Rhotard", "Sevredol", "Srm-rhotard", "Zomorph", "Morphine sulfate cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989716", "category": ["biolink:ChemicalEntity"], "name": "PROPOXYPHENE NAPSYLATE", "xref": ["InChIKey:GBKONKCASNNUQD-VGHSCWAPSA-N", "SMILES:CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.O.O=S(=O)(O)c1ccc2ccccc2c1"], "synonym": ["Propoxyphene napsylate", "Propoxyphene napsylate monohydrate", "D-propoxyphene napsylate hydrate", "Dextropropoxyphene napsilate", "Propoxyphene napsylate", "Darvon-n", "Propoxyphene napsylate", "Propoxyphene napsylate", "Propoxyphene napsylate cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL270190", "category": ["biolink:ChemicalEntity"], "name": "ALVIMOPAN", "xref": ["InChIKey:UPNUIXSCZBYVBB-JVFUWBCBSA-N", "SMILES:C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1"], "synonym": ["Alvimopan", "Alvimopan", "Alvimopan", "Alvimopan", "Alvimopan", "Alvimopan dihydrate", "Alvimopan", "Alvimopan anhydrous", "Anhydrous alvimopan", "ADL 8-2698", "ADL-8-2698", "LY-246736", "LY-246736 DIHYDRATE", "LY246736", "Entereg", "Alvimopan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1701", "category": ["biolink:ChemicalEntity"], "name": "MEPERIDINE HYDROCHLORIDE", "xref": ["InChIKey:WCNLCIJMFAJCPX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(c2ccccc2)CCN(C)CC1.Cl"], "synonym": ["Pethidine hydrochloride", "Meperidine hydrochloride", "Pethidine hydrochloride", "Meperidine hydrochloride", "Meperidine hcl", "Meperidine hydrochloride", "Pethidine hydrochloride", "Pethidini hydrochloridum", "NIH 10522", "NSC-400479", "Demerol", "Meperidine hydrochloride", "Meperidine hydrochloride component of mepergan", "Meperidine hydrochloride preservative free", "Pamergan", "Pethilorfan", "Spasmodlin", "Meperidine hydrochloride", "Meperidine hydrochloride", "Meperidine hydrochloride cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200825", "category": ["biolink:ChemicalEntity"], "name": "METHADONE HYDROCHLORIDE", "xref": ["InChIKey:FJQXCDYVZAHXNS-UHFFFAOYSA-N", "SMILES:CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl"], "synonym": ["Methadone hydrochloride", "Methadone hydrochloride", "Methadone hydrochloride", "Methadone hydrochloride", "Butalgin", "Dolofin hydrochloride", "Dolophine", "Fenadone", "Heptadon", "Ketalgin hydrochloride", "Mecodin", "Methadone hcl", "Methadone hydrochloride", "Phenadone hydrochloride", "AN-148", "NSC-19600", "Adanon hydrochloride", "Dolophine hydrochloride", "Eptadone", "Martindale", "Methadone hydrochloride", "Methadone hydrochloride intensol", "Methadose", "Metharose", "Methex", "Physeptone", "Pinadone", "Synastone", "Westadone", "Methadone hydrochloride cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237104", "category": ["biolink:ChemicalEntity"], "name": "PROPOXYPHENE HYDROCHLORIDE", "xref": ["InChIKey:QMQBBUPJKANITL-MYXGOWFTSA-N", "SMILES:CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.Cl"], "synonym": ["Dextropropoxyphene", "Dextropropoxyphene", "Propoxyphene hydrochloride", "Propoxyphene hydrochloride", "Algaphan", "Deprancol", "Dextro propoxyphene hydrochloride", "Dextropropoxiphene chloride", "Dextropropoxyphene hydrochloride", "Femadol", "Harmar", "Propoxyphene hcl", "Propoxyphene hydrochloride", "Proxagesic", "Darvon", "Dolene", "Doloxene", "Kesso-gesic", "Prophene 65", "Propoxyphene hydrochloride", "Propoxyphene hydrochloride 65", "Propoxyphene hydrochloride component of darvocet", "Propoxyphene hydrochloride component of darvon compound", "Propoxyphene hydrochloride component of dolene ap-65", "Propoxyphene hydrochloride component of wygesic", "Propoxyphene hydrochloride", "Propoxyphene hydrochloride", "Propoxyphene hydrochloride cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989768", "category": ["biolink:ChemicalEntity"], "name": "LEVORPHANOL TARTRATE", "xref": ["InChIKey:UMZNDVASJKIQCB-SODJFYQGSA-N", "SMILES:CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O.O.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Levorphanol tartrate", "Levorphanol tartrate", "Levorphanol tartrate dihydrate", "Levorphanol tartrate anhydrous", "Levorphanol tartrate dihydrate", "NSC-91012", "RO-1-5431/7", "Dromoran", "Levo-dromoran", "Levorphanol tartrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2062266", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROCODEINE BITARTRATE", "xref": ["InChIKey:ZGSZBVAEVPSPFM-FFHNEAJVSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@@]341.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Dihydrocodeine tartrate", "Dihydrocodeine bitartrate", "Dihydrocodeine tartrate", "Codeine, dihydro-, tartrate (1:1)", "Dihydrocodeine bitartrate", "Dihydrocodeine hydrogen tartrate", "DF 118", "DF-118", "NSC-117857", "Dihydrocodeine bitartrate component of dhc plus", "Dihydrocodeine bitartrate component of synalgos-dc", "Dihydrocodeine bitartrate component of synalgos-dc-a", "Dihydrocodeine bitartrate component of trezix", "Dihydrocodeine bitartrate cii"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201120", "category": ["biolink:ChemicalEntity"], "name": "REMIFENTANIL HYDROCHLORIDE", "xref": ["InChIKey:WFBMIPUMYUHANP-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1.Cl"], "synonym": ["Remifentanil hydrochloride", "Remifentanil hydrochloride", "Remifentanil hydrochloride", "Remifentanil hydrochloride", "Remifentanil hcl", "Remifentanil hydrochloride", "GI 87084B", "GI-87084B", "Ultiva", "Remifentanil hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201770", "category": ["biolink:ChemicalEntity"], "name": "METHYLNALTREXONE BROMIDE", "xref": ["InChIKey:IFGIYSGOEZJNBE-KNLJMPJLSA-N", "SMILES:C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.[Br-]"], "synonym": ["Methylnaltrexone bromide", "Methylnaltrexone bromide", "Methylnaltrexone bromide", "Methylnaltrexone bromide", "Methylnaltrexone bromide", "Bromure de methylnaltrexone", "Bromuro de metilnaltrexona", "Methylnaltrexone bromide", "Methylnaltrexone bromide", "Methylnaltrexone bromide", "Moa-728", "N-methylnaltrexone bromide", "Naltrexone methobromide", "Naltrexone methylbromide", "MOA728", "MRZ 2663BR", "MRZ-2663BR", "MRZ2663BR", "Relistor", "Methylnaltrexone bromide", "Methylnaltrexone bromide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201163", "category": ["biolink:ChemicalEntity"], "name": "SUFENTANIL CITRATE", "xref": ["InChIKey:OJCZPLDERGDQRJ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Sufentanil citrate", "Sufentanil citrate", "Sufentanil citrate", "Sufentanil citrate", "R 33800", "R-33800", "Dsuvia", "Dzuveo", "Sufenta", "Sufenta preservative free", "Sufental", "Sufentanil citrate", "Zalviso", "Sufentanil citrate", "Sufentanil citrate", "Sufentanil citrate cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL596", "category": ["biolink:ChemicalEntity"], "name": "FENTANYL", "xref": ["InChIKey:PJMPHNIQZUBGLI-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"], "synonym": ["Fentanyl", "Fentanyl", "Fentanyl", "Fentanyl", "Fentanyl", "Fentanyl", "Fentanilo", "Fentanyl", "Fentanyl", "Durogesic d-trans", "En3267", "Fendrop", "Fentanest", "Fentanyl", "Innovar", "Phentanyl", "Recuvyra", "Sublimase", "AD 923", "AD-923", "EN-3267", "IDS-NF-001", "N02AB03", "R 4263", "Breakyl", "Duragesic", "Duragesic-100", "Duragesic-12", "Duragesic-25", "Duragesic-37", "Duragesic-50", "Duragesic-75", "Durogesic", "Durogesic dtrans", "Fencino", "Fentalis reservoir", "Fentanyl component of tranq", "Fentanyl-100", "Fentanyl-12", "Fentanyl-25", "Fentanyl-37", "Fentanyl-50", "Fentanyl-62", "Fentanyl-75", "Fentanyl-87", "Matrifen", "Mezolar matrix", "Mylafent", "Opiodur", "Oralet", "Osmach", "Osmanil", "Recivit", "Recuvyra", "Subsys", "Tilofyl", "Victanyl", "Yemex", "Fentanyl", "Fentanyl", "Fentanyl cii"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200817", "category": ["biolink:ChemicalEntity"], "name": "LEVOMETHADYL ACETATE HYDROCHLORIDE", "xref": ["InChIKey:UXBPQRGCVJOTNT-COBSGTNCSA-N", "SMILES:CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1.Cl"], "synonym": ["Levomethadyl acetate hydrochloride", "Levacetylmethadol hydrochloride", "Levomethadyl acetate hcl", "Levomethadyl acetate hydrochloride", "LAAM", "MK-790", "MK790", "Orlaam", "Levomethadyl acetate hydrochloride"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2368861", "category": ["biolink:ChemicalEntity"], "name": "BUPRENORPHINE HYDROCHLORIDE", "xref": ["InChIKey:UAIXRPCCYXNJMQ-HPRIMLMLSA-N", "SMILES:CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5.Cl"], "synonym": ["Buprenorphine hydrochloride", "Buprenorphine hydrochloride", "Buprenorphine hydrochloride", "Buprenorphine hydrochloride", "Buprenorphine hydrochloride", "Anorfin", "Buprederm", "Buprenorphine hcl", "Buprenorphine hydrochloride", "Buprex", "Finibron", "Lepetan", "Nopan", "Vetergesic", "CL 112,302", "CL-112302", "M-6029", "NIH 8805", "NIH-8805", "RX 6029-M HCL", "RX-6029-M HCL", "SCH-028444", "UM 952", "UM-952", "Belbuca", "Buprenex", "Buprenorphine hydrochloride", "Buprenorphine hydrochloride component of bunavail", "Buprenorphine hydrochloride component of cassipa", "Buprenorphine hydrochloride component of suboxone", "Buprenorphine hydrochloride component of zubsolv", "Espranor", "Gabup", "Natzon", "Prefibin", "Probuphine", "Sixmo", "Subutex", "Buprenorphine hydrochloride", "Buprenorphine hydrochloride", "Buprenorphine hydrochloride ciii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201047", "category": ["biolink:ChemicalEntity"], "name": "ANILERIDINE HYDROCHLORIDE", "xref": ["InChIKey:UDUQHZSAAWGSPJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.Cl"], "synonym": ["Anileridine hydrochloride", "Anileridine dihydrochloride", "Aldine", "Anileridine dihydrochloride", "Anileridine hcl", "Anileridine hydrochloride cii", "Apodol", "Leritine dihydrochloride", "Leritine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1685", "category": ["biolink:ChemicalEntity"], "name": "DEZOCINE", "xref": ["InChIKey:VTMVHDZWSFQSQP-VBNZEHGJSA-N", "SMILES:C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N"], "synonym": ["Dezocine", "Dezocine", "Dezocine", "Dezocina", "Dezocine", "Dezocine", "Docozine", "Dozocine", "WY-16,225", "WY-16225", "Dalgan", "Dezocine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200543", "category": ["biolink:ChemicalEntity"], "name": "ANILERIDINE PHOSPHATE", "xref": ["InChIKey:FLQCEKVTYABVSH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.O=P(O)(O)O"], "synonym": ["Anileridine phosphate", "Leritine phosphate", "Leritine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201777", "category": ["biolink:ChemicalEntity"], "name": "TAPENTADOL HYDROCHLORIDE", "xref": ["InChIKey:ZELFLGGRLLOERW-YECZQDJWSA-N", "SMILES:CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl"], "synonym": ["Tapentadol hydrochloride", "Tapentadol hydrochloride", "Tapentadol hydrochloride", "Tapentadol hydrochloride", "Tapentadol hcl", "Tapentadol hydrochloride", "BN-200 HYDROCHLORIDE", "CG-5503 HYDROCHLORIDE", "CG5503 HYDROCHLORIDE", "Nucynta", "Nucynta er", "Palexia"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL299400", "category": ["biolink:ChemicalEntity"], "name": "BUTORPHANOL TARTRATE", "xref": ["InChIKey:GMTYREVWZXJPLF-SXWPHCFWSA-N", "SMILES:O=C(O)C(O)C(O)C(=O)O.Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3"], "synonym": ["Butorphanol tartrate", "Butorphanol tartrate", "Butorphanol tartrate", "Butorphanol tartrate", "Butorphanol tartrate", "Butorphanol tartrate", "Dolorex", "Moradol", "Torbugesic", "Torbutrol", "LEVO-BC-2627 TARTRATE", "Butorphanol tartrate", "Butorphanol tartrate preservative free", "Stadol", "Stadol ns", "Stadol preservative free", "Butorphanol tartrate", "Butorphanol tartrate", "Butorphanol tartrate civ"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL511142", "category": ["biolink:ChemicalEntity"], "name": "BUPRENORPHINE", "xref": ["InChIKey:RMRJXGBAOAMLHD-CTAPUXPBSA-N", "SMILES:CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5"], "synonym": ["Buprenorphine", "Buprenorphine", "Buprenorphine", "Buprenorphine", "Buprenorphine", "Buprenorphine", "Buprenorfina", "Buprenorphine", "Buprenorphine", "Brixadi", "Buprenorphin", "Buprenorphine", "Suboxone", "BUPRENORPHINE COMPONENT OF ALKS-5461", "Brixadi", "Bupeaze", "Buplast", "Butec", "Butrans", "Buvidal", "Hapoctasin", "Panitaz", "Prenotrix", "Reletrans", "Sevodyne", "Sublocade", "Temgesic", "Tephine", "Transtec"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2062276", "category": ["biolink:ChemicalEntity"], "name": "LEVALLORPHAN TARTRATE", "xref": ["InChIKey:FWMLYVACGDQRFU-MBHUSPCXSA-N", "SMILES:C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Levallorphan tartrate", "Lorfan"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1324", "category": ["biolink:ChemicalEntity"], "name": "TOLCAPONE", "xref": ["InChIKey:MIQPIUSUKVNLNT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1"], "synonym": ["Tolcapone", "Tolcapone", "Tolcapone", "Tolcapone", "Tolcapone", "Tolcapone", "Tolcapona", "Tolcapone", "Tolcapone", "Tolcapone", "RO 40-7592", "RO-40-7592", "RO-407592", "Tasmar", "Tolcapone", "Tolcapone", "Tolcapone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Catechol O-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2023"], "id": "UniProtKB:P21964", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL953", "category": ["biolink:ChemicalEntity"], "name": "ENTACAPONE", "xref": ["InChIKey:JRURYQJSLYLRLN-BJMVGYQFSA-N", "SMILES:CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1"], "synonym": ["Entacapone", "Entacapone", "Entacapone", "Entacapone", "Entacapone", "Entacapone", "Entacapona", "Entacapone", "Entacapone", "Entacapone", "Entacapone orion", "Entacapone teva", "OR-611", "Comtan", "Comtess", "Entacapone", "Entacapone component of corbilta", "Entacapone component of levodopa/carbidopa/ orion", "Entacapone component of stalevo", "Entacapone orion", "Entacapone teva", "Entacapone", "Entacapone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL211471", "category": ["biolink:ChemicalEntity"], "name": "NEOSTIGMINE METHYLSULFATE", "xref": ["InChIKey:OSZNNLWOYWAHSS-UHFFFAOYSA-M", "SMILES:CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-]"], "synonym": ["Neostigmine metilsulfate", "Neostigmine methylsulfate", "Neostigmine methyl sulfate", "Intrastigmina", "Neostigmine methylsulfate", "Neostigmine methylsulphate", "Neostigmine metilsulfate", "Neostigmini metilsulfas", "Syntostigmin", "NSC-93753", "Bloxiverz", "Neostigmine methylsulfate", "Neostigmine methylsulfate component of prevduo", "Robinul-neostig"], "chembl_availability_type": "prescription only"}
{"name": "Acetylcholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL220"], "id": "UniProtKB:P22303", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1678", "category": ["biolink:ChemicalEntity"], "name": "DONEPEZIL HYDROCHLORIDE", "xref": ["InChIKey:XWAIAVWHZJNZQQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl"], "synonym": ["Donepezil hydrochloride", "Donepezil hydrochloride", "Donepezil hydrochloride", "Donepezil hydrochloride", "Adlarity", "Donepezil hcl", "Donepezil hydrochloride", "BNAG", "E-2020", "E2020", "NSC-737535", "NSC-758882", "Adlarity", "Aricept", "Aricept evess", "Aricept odt", "Donepezil hydrochloride", "Donepezil hydrochloride component of namzaric", "Donepezil hydrochloride", "Donepezil hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200933", "category": ["biolink:ChemicalEntity"], "name": "HEXAFLUORENIUM BROMIDE", "xref": ["InChIKey:WDEFPRUEZRUYNW-UHFFFAOYSA-L", "SMILES:C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.[Br-].[Br-]"], "synonym": ["Hexafluorenium bromide", "Hexafluronium bromide", "Bromure d'hexafluronium", "Bromuro de hexafluronio", "Hexaflurone bromide", "NSC-19477", "Mylaxen", "Hexafluorenium bromide", "Hexafluorenium bromide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL812", "category": ["biolink:ChemicalEntity"], "name": "PYRIDOSTIGMINE BROMIDE", "xref": ["InChIKey:VNYBTNPBYXSMOO-UHFFFAOYSA-M", "SMILES:CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-]"], "synonym": ["Pyridostigmine bromide", "Pyridostigmine bromide", "Pyridostigmine bromide", "Bromure de pyridostigmine", "Bromuro de piridostigmina", "Pyridostigmine bromide", "Kalimin", "Kalymin", "Pyridostigmine bromide", "Pyridostigmini bromidum", "NSC-679759", "NSC-758435", "RO-1-5130", "Mestinon", "Mestinon 10", "Mestinon ret", "Pyridostigmine bromide", "Regonal", "Regonol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1555", "category": ["biolink:ChemicalEntity"], "name": "GALANTAMINE HYDROBROMIDE", "xref": ["InChIKey:QORVDGQLPPAFRS-XPSHAMGMSA-N", "SMILES:Br.COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2"], "synonym": ["Galantamine hydrobromide", "Galantamine hydrobromide", "Galantamine hydrobromide", "(-)-galantamine hydrobromide", "Galantamine hydrobromide", "Galanthamine hydrobromide", "Jilkon hydrobromide", "Lycoremine hydrobromide", "Nivalin", "Nivaline", "Tamilin", "Galantamine hydrobromide", "Razadyne", "Razadyne er", "Galantamine hydrobromide", "Galantamine hydrobromide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1025", "category": ["biolink:ChemicalEntity"], "name": "ISOFLUROPHATE", "xref": ["InChIKey:MUCZHBLJLSDCSD-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(F)OC(C)C"], "synonym": ["Fluostigmine", "Isoflurophate", "NSC-727370", "Floropryl"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1128", "category": ["biolink:ChemicalEntity"], "name": "EDROPHONIUM CHLORIDE", "xref": ["InChIKey:BXKDSDJJOVIHMX-UHFFFAOYSA-N", "SMILES:CC[N+](C)(C)c1cccc(O)c1.[Cl-]"], "synonym": ["Edrophonium chloride", "Edrophonium chloride", "Edrophonium chloride", "Chlorure d'edrophonium", "Cloruro de edrofonio", "Antirex", "Edrophonii chloridum", "NSC-759577", "Camsilon", "Edrophonium chloride", "Edrophonium chloride component of enlon-plus", "Edrophonium chloride preservative free", "Enlon", "Reversol", "Tensilon", "Tensilon preservative free"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200367", "category": ["biolink:ChemicalEntity"], "name": "ECHOTHIOPHATE IODIDE", "xref": ["InChIKey:OVXQHPWHMXOFRD-UHFFFAOYSA-M", "SMILES:CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-]"], "synonym": ["Ecothiopate iodide", "Echothiophate iodide", "Ecothiopate iodide", "Iodure d'ecothiopate", "Ioduro de ecotiopato", "Echothiophate iodide", "Echodide", "Echothiophate iodide", "Ecothiopate iodide", "217-MI", "Phospholine iodide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200514", "category": ["biolink:ChemicalEntity"], "name": "DEMECARIUM BROMIDE", "xref": ["InChIKey:YHKBUDZECQDYBR-UHFFFAOYSA-L", "SMILES:CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-].[Br-]"], "synonym": ["Demecarium bromide", "Demecarium bromide", "Demecarium bromide", "Bromure de demecarium", "Bromuro de demecario", "BC-48", "Humorsol", "Tosmilen"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200541", "category": ["biolink:ChemicalEntity"], "name": "AMBENONIUM CHLORIDE", "xref": ["InChIKey:DXUUXWKFVDVHIK-UHFFFAOYSA-N", "SMILES:CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-].[Cl-]"], "synonym": ["Ambenonium chloride", "Ambenonium chloride", "Chlorure d'ambenonium", "Cloruro de ambenonio", "Mytelase"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL748", "category": ["biolink:ChemicalEntity"], "name": "PRALIDOXIME CHLORIDE", "xref": ["InChIKey:HIGSLXSBYYMVKI-UHFFFAOYSA-N", "SMILES:C[n+]1ccccc1/C=N/O.[Cl-]"], "synonym": ["Pralidoxime chloride", "Pralidoxime chloride", "Protopam", "2-PAM", "2-PAM CHLORIDE", "NSC-164614", "Contrathion", "Pralidoxime chloride", "Pralidoxime chloride (autoinjector)", "Pralidoxime chloride component of atnaa", "Pralidoxime chloride component of duodote", "Protopam chloride", "Pralidoxime chloride", "Pralidoxime chloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297955", "category": ["biolink:ChemicalEntity"], "name": "FOLLITROPIN", "synonym": ["Follitropin alfa/beta", "Menotropins (fsh)", "Follitropin epsilon", "Follitropin gamma", "Follitropine epsilon", "Follitropine gamma", "Folitropina epsilon", "Folitropina gamma", "F.s.h.-p injectable", "Follicle stimulating hormone", "Follitropin", "Follitropin (pig)", "Follitropin gamma", "Follitropin porcine", "Follotropin recombinant", "Folltropin-v", "Fsh (menotropins)", "Menotropins (fsh)", "Super-ov"], "chembl_availability_type": "prescription only"}
{"name": "Follicle-stimulating hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL2024"], "id": "UniProtKB:P23945", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201520", "category": ["biolink:ChemicalEntity"], "name": "UROFOLLITROPIN", "synonym": ["Urofollitropin", "Urofollitropin", "Urofollitropin", "Urofollitropin", "Urofollitropine", "Urofolitropina", "Urofollitropin", "Fertinorm", "Follitropin human", "Urofollitrophin", "Urofollitropin", "Bravelle", "Fertinex", "Fostimon", "Gonadotraphon fsh", "Metrodin high purity", "Orgafol", "Urofollitropin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315126", "category": ["biolink:ChemicalEntity"], "name": "FOLLITROPIN BETA", "synonym": ["Follitropin beta", "Follitropin beta", "Follitropin beta", "Follitropin beta", "Follitropine beta", "Folitropina beta", "Fertavid", "Follitropin beta", "Fertavid", "Puregon"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103868", "category": ["biolink:ChemicalEntity"], "name": "CABOZANTINIB S-MALATE", "xref": ["InChIKey:HFCFMRYTXDINDK-WNQIDUERSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.O=C(O)C[C@H](O)C(=O)O"], "synonym": ["Cabozantinib (s)-malate", "Cabozantinib s-malate", "Cabozantinib s-malate", "Cabozantinib malate", "Cabozantinib s-malate", "BMS-907351", "XL-184", "XL184", "Cabometyx", "Cometriq", "Cabozantinib s-malate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Vascular endothelial growth factor receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL279"], "id": "UniProtKB:P35968", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Somatostatin receptor type 3", "xref": ["CHEMBL.TARGET:CHEMBL2028"], "id": "UniProtKB:P32745", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL771", "category": ["biolink:ChemicalEntity"], "name": "CYCLOSERINE", "xref": ["InChIKey:DYDCUQKUCUHJBH-UWTATZPHSA-N", "SMILES:N[C@@H]1CONC1=O"], "synonym": ["Cycloserine", "Cycloserine", "Cycloserine", "Cycloserine", "Cicloserina", "Cycloserine", "Cycloserine", "Cycloserinum", "D-cycloserine", "Orientomycin", "NSC-154851", "NSC-76029", "Seromycin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "D-alanine--D-alanine ligase", "xref": ["CHEMBL.TARGET:CHEMBL2030"], "id": "UniProtKB:P9WP31", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201490", "category": ["biolink:ChemicalEntity"], "name": "SERMORELIN ACETATE", "synonym": ["Sermorelin", "Sermorelin acetate", "Sermorelin acetate", "Sermorelin", "Sermoreline", "Sermorelina", "Groliberin", "Geref", "Sermorelin acetate"], "chembl_availability_type": "discontinued"}
{"name": "Growth hormone-releasing hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL2032"], "id": "UniProtKB:Q02643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2111290", "category": ["biolink:ChemicalEntity"], "name": "TESAMORELIN ACETATE", "synonym": ["TH-9507 ACETATE", "TH9507", "Tesamorelin acetate"], "chembl_availability_type": "prescription only"}
{"name": "Cholesterol side-chain cleavage enzyme, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2033"], "id": "UniProtKB:P05108", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1670", "category": ["biolink:ChemicalEntity"], "name": "MITOTANE", "xref": ["InChIKey:JWBOIMRXGHLCPP-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1"], "synonym": ["Mitotane", "Mitotane", "Mitotane", "Mitotane", "Mitotane", "Mitotano", "Mitotane", "Mitotane", "Chloditan", "Chlodithane", "Mitotan", "Mitotane", "O,p'-ddd", "O,p'-ddd,o p'-tde", "O,p'-tde", "Opeprim", "CB 313", "CB-313", "NSC-38721", "Lysodren", "Opddd", "Mitotane", "Mitotane"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL635", "category": ["biolink:ChemicalEntity"], "name": "PREDNISONE", "xref": ["InChIKey:XOFYZVNMUHMLCC-ZPOLXVRWSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"], "synonym": ["Prednisone", "Prednisone", "Prednisone", "Prednisone", "Prednisona", "Prednisone", "3en3hg4wsw", "Decortin", "Dehydrocortisone", "Metacortandracin", "Prednisone", "Prednisone anhydrous", "Supercortil", "NSC-10023", "Cortan", "Cortancyl", "Decortisyl", "Delta-dome", "Deltasone", "Fernisone", "Liquid pred", "Lodotra", "Meticorten", "Orasone", "Paracort", "Prednicen-m", "Prednisone", "Prednisone intensol", "Rayos", "Servisone", "Sterapred", "Prednisone tablets"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Glucocorticoid receptor", "xref": ["CHEMBL.TARGET:CHEMBL2034"], "id": "UniProtKB:P04150", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200845", "category": ["biolink:ChemicalEntity"], "name": "HALCINONIDE", "xref": ["InChIKey:MUQNGPZZQDCDFT-JNQJZLCISA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1"], "synonym": ["Halcinonide", "Halcinonide", "Halcinonide", "Halcinonide", "Halcinonide", "Halcinonida", "Halcinonide", "NSC-758413", "SO 18566", "SO-18566", "SQ 18566", "SQ-18566", "Halog", "Halog-e", "Halcinonide", "Halcinonide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201173", "category": ["biolink:ChemicalEntity"], "name": "MEDRYSONE", "xref": ["InChIKey:GZENKSODFLBBHQ-ILSZZQPISA-N", "SMILES:CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C"], "synonym": ["Medrysone", "Medrysone", "Medrysone", "Medrisona", "Hydroxymesterone", "NSC-63278", "U-8471", "Medrysone", "Medrysone"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201749", "category": ["biolink:ChemicalEntity"], "name": "DIFLUPREDNATE", "xref": ["InChIKey:WYQPLTPSGFELIB-JTQPXKBDSA-N", "SMILES:CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Difluprednate", "Difluprednate", "Difluprednate", "Difluprednato", "Difluprednate", "Difluprednate", "Difluprednate", "W 6309", "W-6309", "Durezol", "Difluprednate"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL632", "category": ["biolink:ChemicalEntity"], "name": "BETAMETHASONE", "xref": ["InChIKey:UREBDLICKHMUKA-DVTGEIKXSA-N", "SMILES:C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"], "synonym": ["Betamethasone", "Betamethasone", "Betamethasone", "Betamethasone", "Betamethasone", "Betametasona", "Betamethasone", "Betamethasone", "Betamethasone", "Flubenisolone", "Lotrisone", "Taclonex", "NSC-39470", "SCH 4831", "SCH-4831", "VISUBETA", "Betasolan", "Betnelan", "Celestone", "Rinderon", "Betamethasone", "Betamethasone"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL389621", "category": ["biolink:ChemicalEntity"], "name": "HYDROCORTISONE", "xref": ["InChIKey:JYGXADMDTFJGBT-VWUMJDOOSA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"], "synonym": ["Hydrocortisone", "Hydrocortisone", "Hydrocortisone", "Hydrocortisone", "Hydrocortisone", "Hydrocortisone", "Hidrocortisona", "Hydrocortisone", "Hydrocortisone", "Cor-oticin", "Cortisol", "Hydrocortisone", "Ophthocort", "U-cort", "FLEXICORT", "NSC-10483", "Acetasol hc", "Acticort", "Aeroseb-hc", "Ala-cort", "Ala-scalp", "Alkindi", "Alkindi sprinkle", "Alphaderm", "Anflam", "Anucort-hc", "Anugesic hc", "Anusol hc", "Anusol plus hc", "Anusol soothing relief", "Anusol-hc", "Balneol-hc", "Beta-hc", "Calmurid hc", "Canesten hc", "Cetacort", "Cipro hc", "Cobadex", "Colocort", "Corlan", "Cort-dome", "Cortef", "Cortenem", "Cortenema", "Cortril", "Daktacort", "Daktacort hydrocort", "Derma care hydrocort", "Dermacort", "Dermaspray demang", "Dioderm", "Dome-cort", "Econacort", "Efcortelan p", "Efmody", "Eldecort", "Epicort", "Eurax-hc", "Eurax-hydrocort", "Evacort", "Exe-cort", "Flexicort", "Germoloids hc", "Glycort", "Gregoderm", "H-cort", "Hc #1", "Hc #4", "Hc (hydrocortisone)", "Hi-cor", "Hydro-rx", "Hydrocort in calamine oily", "Hydrocort in cetomacrogol for a", "Hydrocort in wte soft paraf", "Hydrocortisone", "Hydrocortisone component of acetasol hc", "Hydrocortisone component of achromycin", "Hydrocortisone component of alphaderm", "Hydrocortisone component of calmurid hc", "Hydrocortisone component of cortisporin", "Hydrocortisone component of orlex hc", "Hydrocortisone component of oticair", "Hydrocortisone component of otobione", "Hydrocortisone component of otobiotic", "Hydrocortisone component of otocort", "Hydrocortisone component of pediotic", "Hydrocortisone component of pyocidin", "Hydrocortisone component of vosol hc", "Hydrocortisone component of xerese", "Hydrocortisone in absorbase", "Hydrocortone", "Hydroderm", "Hydroderm hc", "Hytone", "Jungle for", "Medicort", "Mildison lipocream", "Nogenic hc", "Nutracort", "Nybadex", "Nystaform-hc", "Otoseptil", "Otosporin", "Penecort", "Perinal", "Plenadren", "Proctocort", "Proctocream hc", "Proctofoam hc", "Proctosedyl", "Quinocort", "Sential hc", "Stie-cort", "Synacort", "Terra-cortril nystatin", "Texacort", "Timocort", "Timodine", "Topisone", "Tri-cicatrin", "Uniroid", "Uniroid hc", "Xyloproct", "Zenoxone", "Hydrocortisone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1504", "category": ["biolink:ChemicalEntity"], "name": "TRIAMCINOLONE ACETONIDE", "xref": ["InChIKey:YNDXUCZADRHECN-JNQJZLCISA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"], "synonym": ["Triamcinolone acetonide", "Triamcinolone acetonide", "Triamcinolone acetonide", "Kenacourt", "Triamcinolone acetonide", "FX-006", "FX006", "NSC-21916", "Adcortyl", "Adcortyl in orabase", "Allernaze", "Aristocort", "Aristocort a", "Aristogel", "Audicort", "Aureocort", "Azmacort", "Extracort", "Flutex", "Ftorocort", "Gppe ear dps cap", "Gppe ear oint", "Kenacort-a", "Kenalog", "Kenalog in orabase", "Kenalog-10", "Kenalog-40", "Kenalog-80", "Kenalog-h", "Ledercort cream", "Nasacort", "Nasacort allergy 24 hour", "Nasacort aq", "Nasacort hfa", "Nystadermal", "Oracort", "Oralone", "Pevaryl t.c.", "Remiderm", "Remotic", "Respicort", "Rineton", "Silderm", "Solodelf", "Tramacin", "Tri-adcortyl", "Tri-nasal", "Triacet", "Triacort", "Triam", "Triamcinolone acetonide", "Triamcinolone acetonide component of mycolog", "Triamcinolone acetonide component of mykacet", "Triamcinolone acetonide component of mytrex a", "Triamcinolone acetonide component of mytrex f", "Triamcinolone acetonide in absorbase", "Triatex", "Tricinolon", "Triderm", "Triesence", "Trivaris", "Trymex", "Vetalog", "Volon a", "Volonimat", "Xipere", "Zilretta"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1549", "category": ["biolink:ChemicalEntity"], "name": "HYDROCORTISONE CYPIONATE", "xref": ["InChIKey:DLVOSEUFIRPIRM-KAQKJVHQSA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1"], "synonym": ["Hydrocortisone cipionate", "Hydrocortisone cypionate", "Hydrocortisone cipionate", "Hydrocortisone cypionate", "NSC-10721", "Cortef"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1159650", "category": ["biolink:ChemicalEntity"], "name": "CLOBETASOL PROPIONATE", "xref": ["InChIKey:CBGUOGMQLZIXBE-XGQKBEPLSA-N", "SMILES:CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Clobetasol", "Clobetasol", "Clobetasol propionate", "Clobetasol propionate", "Clobetasol", "Clobetasol propionate", "Clobetasol 17-propionate", "Clobetasol propionate", "Clobecort amex", "Clobetasol propionate", "Dovate", "Psorex", "CCI 4725", "CCI-4725", "GR 2/925", "GR-2/925", "NSC-758634", "Clarelux", "Clobaderm", "Clobetasol propionate", "Clobetasol propionate (emollient)", "Clobex", "Cormax", "Dermovate", "Dermovate nn", "Embeline", "Embeline e", "Etrivex", "Impeklo", "Impoyz", "Olux", "Olux e", "Temovate", "Temovate e", "Clobetasol propionate", "Clobetasol propionate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200495", "category": ["biolink:ChemicalEntity"], "name": "HYDROCORTISONE SODIUM SUCCINATE", "xref": ["InChIKey:HHZQLQREDATOBM-CODXZCKSSA-M", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-].[Na+]"], "synonym": ["Hydrocortisone sodium succinate", "Hydrocortisone sodium succinate", "Hydrocortisone 21-sodium succinate", "Cortisol 21-(sodium succinate)", "Hydrocortisone sodium succinate", "Hydrocortisoni natrii succinas", "NSC-9152", "SOLU-CORTEF", "A-hydrocort", "Hcss", "Hydrocortisone sodium succinate", "Solu-cortef"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200600", "category": ["biolink:ChemicalEntity"], "name": "FLUOROMETHOLONE", "xref": ["InChIKey:FAOZLTXFLGPHNG-KNAQIMQKSA-N", "SMILES:CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Fluorometholone", "Fluorometholone", "Fluorometholone", "Fluorometholone", "Fluorometolona", "Fluorometholone", "Fluorometholone", "NSC-33001", "Fluaton", "Fluor-op", "Fluorometholone component of fml-s", "Fml", "Fml forte", "Fml fte", "Fml-neo", "Oxylone"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200635", "category": ["biolink:ChemicalEntity"], "name": "HYDROCORTAMATE HYDROCHLORIDE", "xref": ["InChIKey:AKQNAIYKSALPKV-OYHXESGYSA-N", "SMILES:CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.Cl"], "synonym": ["Hydrocortamate hydrochloride", "Hydrocortamate hcl", "NSC-12884", "Magnacort"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200762", "category": ["biolink:ChemicalEntity"], "name": "BETAMETHASONE SODIUM PHOSPHATE", "xref": ["InChIKey:PLCQGRYPOISRTQ-LWCNAHDDSA-L", "SMILES:C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]"], "synonym": ["Betamethasone sodium phosphate", "Betamethasone sodium phosphate", "Betamethasone 21-phosphate disodium salt", "Betamethasone disodium phosphate", "Betamethasone sodium phosphate", "NSC-90616", "Betam-ophtal", "Betamethasone sodium phosphate", "Betamethasone sodium phosphate component of celestone soluspan", "Betnesol", "Betnesol-n", "Celestone", "Vistamethasone", "Vistamethasone n"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200865", "category": ["biolink:ChemicalEntity"], "name": "LOTEPREDNOL ETABONATE", "xref": ["InChIKey:DMKSVUSAATWOCU-HROMYWEYSA-N", "SMILES:CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Loteprednol", "Loteprednol", "Loteprednol etabonate", "Loteprednol etabonate", "Loteprednol", "Loteprednol etabonate", "Loteprednol etabonate", "Loteprednol etabonate", "CDDD 5604", "CDDD-5604", "CDDD5604", "HGP-1", "KPI-121", "P-5604", "Alrex", "Eysuvis", "Inveltys", "Lotemax", "Lotemax sm", "Loteprednol etabonate component of zylet", "Loteprednol etabonate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200909", "category": ["biolink:ChemicalEntity"], "name": "PREDNISOLONE TEBUTATE", "xref": ["InChIKey:HUMXXHTVHHLNRO-KAJVQRHHSA-N", "SMILES:CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Prednisolone tebutate", "Prednisolone 21-tert-butylacetate", "Anhydrous prednisolone tebutate", "Prednisolone 21-tert-butylacetate", "Prednisolone butylacetate", "Hydeltra-tba", "Prednisolone tebutate"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL131", "category": ["biolink:ChemicalEntity"], "name": "PREDNISOLONE", "xref": ["InChIKey:OIGNJSKKLXVSLS-VWUMJDOOSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"], "synonym": ["Prednisolone", "Prednisolone", "Prednisolone", "Prednisolone", "Prednisolone", "Prednisolone", "Prednisolona", "Prednisolone", "Prednisolone", "Neo-delta-cortef", "Poly-pred", "Pred-g", "Prednisolone", "NSC-9120", "NSC-9900", "Cortalone", "Dekotil", "Delta-cortef", "Deltacortril", "Deltalone", "Dilacort", "Equisolon", "Fernisolone-p", "Hydeltra", "Meti-derm", "Pevanti", "Precortisyl", "Precortisyl fte", "Prednisolone", "Prednisolone component of chloroptic-p s.o.p.", "Prelone", "Scheriproct", "Sterane", "Prednisolone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1512", "category": ["biolink:ChemicalEntity"], "name": "FLUNISOLIDE", "xref": ["InChIKey:XSFJVAJPIHIPKU-XWCQMRHXSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"], "synonym": ["Flunisolide", "Flunisolide", "Flunisolide", "Flunisolide", "Flunisolide", "Flunisolida", "Flunisolide", "Flunisolide", "Flunisolide", "Flunisolide anhydrous", "Flunisolide hemihydrate", "NSC-757871", "RS-3999", "Aerobid", "Aerospan", "Aerospan hfa", "Flunisolide", "Nasalide", "Nasarel", "Syntaris", "Syntaris hayfever", "Flunisolide", "Flunisolide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200342", "category": ["biolink:ChemicalEntity"], "name": "PARAMETHASONE ACETATE", "xref": ["InChIKey:HYRKAAMZBDSJFJ-LFDBJOOHSA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Paramethasone", "Paramethasone", "Paramethasone acetate", "Paramethasone", "Parametasona", "Paramethasone acetate", "Paramethasone 21-acetate", "Dillar", "Paramethasone 21-acetate", "Haldrone", "Paramethasone acetate", "Paramethasone acetate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200384", "category": ["biolink:ChemicalEntity"], "name": "BETAMETHASONE DIPROPIONATE", "xref": ["InChIKey:CIWBQSYVNNPZIQ-XYWKZLDCSA-N", "SMILES:CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Betamethasone dipropionate", "Betamethasone dipropionate", "Betamethasone dipropionate", "Betamethasone 17,21-dipropionate", "Betamethasone (as dipropionate)", "Betamethasone dipropionate", "Diprospan", "Maxivate", "Rinderon dp", "NSC-758415", "SCH 11460", "SCH-11460", "Alphatrex", "Betamethasone dipropionate", "Betamethasone dipropionate component of enstilar", "Betamethasone dipropionate component of leo-90100", "Betamethasone dipropionate component of lotrisone", "Betamethasone dipropionate component of taclonex", "Betamethasone dipropionate component of wynzora", "Diprolene", "Diprolene af", "Diprosone", "Sernivo", "Betamethasone dipropionate", "Betamethasone dipropionate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200538", "category": ["biolink:ChemicalEntity"], "name": "BETAMETHASONE ACETATE", "xref": ["InChIKey:AKUJBENLRBOFTD-QZIXMDIESA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Betamethasone acetate", "Betamethasone 21-acetate", "Betamethasone acetate", "NSC-759196", "Betamethasone acetate component of celestone soluspan", "Betamethasone acetate component of osurnia"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2021430", "category": ["biolink:ChemicalEntity"], "name": "DEXAMETHASONE SODIUM PHOSPHATE", "xref": ["InChIKey:PLCQGRYPOISRTQ-FCJDYXGNSA-L", "SMILES:C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]"], "synonym": ["Dexamethasone sodium phosphate", "Dexamethasone sodium phosphate", "Dexamethasone 21-phosphate disodium salt", "Dexamethasone sodium phosphate", "Tlc399", "NSC-756722", "TLC-399", "TLC399", "Ak-dex", "Dalalone", "Decadron", "Decadron phosphate", "Dexabene", "Dexacen-4", "Dexacort", "Dexair", "Dexamethasone sodium phosphate", "Dexamethasone sodium phosphate component of neodecadron", "Dexamethasone sodium phosphate preservative free", "Hexadrol", "Maxidex", "Mephamesone", "Orgadrone", "Prodex", "Soldesam", "Soludecadron", "Solupen n", "Totocortin"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201081", "category": ["biolink:ChemicalEntity"], "name": "METHYLPREDNISOLONE SODIUM SUCCINATE", "xref": ["InChIKey:FQISKWAFAHGMGT-SGJOWKDISA-M", "SMILES:C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)[O-])[C@@]2(C)C=CC(=O)C=C12.[Na+]"], "synonym": ["Methylprednisolone sodium succinate", "Methylprednisolone sodium succinate", "Methylprednisolone 21-succinate sodium salt", "Methylprednisolone sodium succinate", "NSC-48989", "A-methapred", "Methylprednisolone sodium succinate", "Min-i-mix", "Solu-medrol", "Solu-medrone", "Urbasone"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201109", "category": ["biolink:ChemicalEntity"], "name": "DESONIDE", "xref": ["InChIKey:WBGKWQHBNHJJPZ-LECWWXJVSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"], "synonym": ["Desonide", "Desonide", "Desonide", "Desonide", "Desonide", "Desonida", "Desonide", "Desonide", "D-2083", "D2083", "NSC-759226", "Desonate", "Desonide", "Desonide component of tridesilon", "Desowen", "Tridesilon", "Verdeso", "Desonide", "Desonide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200386", "category": ["biolink:ChemicalEntity"], "name": "PREDNICARBATE", "xref": ["InChIKey:FNPXMHRZILFCKX-KAJVQRHHSA-N", "SMILES:CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Prednicarbate", "Prednicarbate", "Prednicarbate", "Prednicarbate", "Prednicarbato", "Prednicarbate", "Prednicarbate", "HOE 777", "HOE-777", "LAS-189961", "LAS189961", "NSC-760042", "PREDNICARBATE COMPONENT OF LAS-41003", "S 77 0777", "S-77 0777", "S-77-0777", "S-770777", "Dermatop", "Dermatop e emollient", "Prednicarbate", "Prednicarbate", "Prednicarbate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200500", "category": ["biolink:ChemicalEntity"], "name": "BECLOMETHASONE DIPROPIONATE", "xref": ["InChIKey:KUVIULQEHSCUHY-XYWKZLDCSA-N", "SMILES:CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C"], "synonym": ["Beclometasone", "Beclomethasone", "Beclometasone dipropionate", "Beclomethasone dipropionate", "Beclomethasone dipropionate monohydrate", "Beclometasone", "Beclometasona", "Beclometasone dipropionate", "Beclomethasone dipropionate", "Beclometasone dipropionate", "Beclomethasone dipropionate", "NSC-755901", "SCH 18020W", "SCH 8020W", "SCH-18020W", "SGX-201", "SGX-202", "SGX-203", "Aerobec 100", "Aerobec 50", "Aerobec fte 250", "Asmabec clickhaler", "Asmabec spacehaler", "Beclazone 100", "Beclazone 100 e-breathe", "Beclazone 200", "Beclazone 250", "Beclazone 250 e-breathe", "Beclazone 50", "Beclazone 50 e-breathe", "Becloaqua 50", "Becloforte", "Becloforte e-breathe", "Becloforte integra", "Becloforte-vm", "Beclomet", "Beclomet diprop", "Beclomet hayfever", "Beclomethasone dipropionate component of trimbow", "Beclomist", "Beclotaide", "Beclovent", "Becodisks", "Beconase", "Beconase aq", "Becotide", "Becotide 100", "Becotide 100 e-breathe", "Becotide 200", "Becotide 50", "Becotide 50 e-breathe", "Clenil modulite", "Clipper", "Filair 100", "Filair 50", "Filair fte", "Fostair", "Fostair nexthaler", "Nasobec aq", "Nasobec hayfever", "Orbeshield", "Propaderm", "Propaderm fte", "Propaderm-a", "Propaderm-c", "Pulvinal beclomet", "Qnasl", "Qvar", "Qvar 100", "Qvar 100 e-breathe", "Qvar 40", "Qvar 50", "Qvar 50 e-breathe", "Qvar 80", "Qvar redihaler", "Rino clenil", "Sanasthmax", "Topster", "Vancenase", "Vancenase aq", "Vancenase pockethaler", "Vanceril", "Vanceril double strength", "Ventide", "Ventolair", "Vivabec", "Zonivent aquanasal", "Beclomethasone dipropionate", "Beclomethasone dipropionate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200545", "category": ["biolink:ChemicalEntity"], "name": "DIFLORASONE DIACETATE", "xref": ["InChIKey:BOBLHFUVNSFZPJ-JOYXJVLSSA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Diflorasone", "Diflorasone", "Diflorasone diacetate", "Diflorasone", "Diflorasona", "Diflorasone diacetate", "Murode", "U-34,865", "U-34865", "Diflorasone diacetate", "Florone", "Florone e", "Psorcon", "Psorcon e", "Diflorasone diacetate", "Diflorasone diacetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200877", "category": ["biolink:ChemicalEntity"], "name": "FLUMETHASONE PIVALATE", "xref": ["InChIKey:JWRMHDSINXPDHB-OJAGFMMFSA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C"], "synonym": ["Flumetasone pivalate", "Flumetasone pivalate", "Flumethasone pivalate", "Flumetasone pivalate", "Flumethasone 21-pivalate", "Flumethasone 21-pivalate", "Flumethasone pivalate", "NSC-107680", "Locorten", "Locorten-vioform", "Flumethasone pivalate", "Flumethasone pivalate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200908", "category": ["biolink:ChemicalEntity"], "name": "HALOBETASOL PROPIONATE", "xref": ["InChIKey:BDSYKGHYMJNPAB-LICBFIPMSA-N", "SMILES:CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Ulobetasol", "Ulobetasol propionate", "Halobetasol propionate", "Ulobetasol", "Halobetasol propionate", "21-chloro diflorasone", "Halobetasol", "Halobetasol propionate", "Jemdel", "Ulobetasol propionate", "BMY-30056", "CGP-14,458", "CGP-14458", "IDP-122", "Bryhali", "Halobetasol propionate", "Halobetasol propionate component of duobrii", "Halobetasol propionate component of idp-118", "Lexette", "Ultravate", "Halobetasol propionate", "Halobetasol propionate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200968", "category": ["biolink:ChemicalEntity"], "name": "HYDROCORTISONE SODIUM PHOSPHATE", "xref": ["InChIKey:RYJIRNNXCHOUTQ-OJJGEMKLSA-L", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]"], "synonym": ["Hydrocortisone sodium phosphate", "Hydrocortisone sodium phosphate", "Hydrocortisone sodium phosphate", "Hydrocortisone sodium phosphate", "Hydrocortisone 21-phosphate disodium salt", "Cortisol 21-(disodium phosphate)", "Efcortesol", "Hydrocortone", "Hydrocortisone sodium phosphate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201064", "category": ["biolink:ChemicalEntity"], "name": "FLUOROMETHOLONE ACETATE", "xref": ["InChIKey:YRFXGQHBPBMFHW-SBTZIJSASA-N", "SMILES:CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Fluorometholone acetate", "Fluorometholone 17-acetate", "Fluorometholone 17-acetate", "Fluorometholone acetate", "NSC-47438", "U-17,323", "U-17323", "Flarex", "Fluorometholone acetate component of tobrasone", "Fluorometholone acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL650", "category": ["biolink:ChemicalEntity"], "name": "METHYLPREDNISOLONE", "xref": ["InChIKey:VHRSUDSXCMQTMA-PJHHCJLFSA-N", "SMILES:C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12"], "synonym": ["Methylprednisolone", "Methylprednisolone", "Methylprednisolone", "Methylprednisolone", "Metilprednisolona", "6-methyl-prednisolone", "6-methylprednisolone", "Methylprednisolone", "J3.872E", "NSC-19987", "U-67,590A", "Medrol", "Medrone", "Methylprednisolone", "Methylprednisolone component of neo-medrol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1451", "category": ["biolink:ChemicalEntity"], "name": "TRIAMCINOLONE", "xref": ["InChIKey:GFNANZIMVAIWHM-OBYCQNJPSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F"], "synonym": ["Triamcinolone", "Triamcinolone", "Triamcinolone", "Triamcinolone", "Triamcinolona", "Triamcinolone", "Triamcinolone", "NSC-13397", "Aristocort", "Delphicort", "Kenacort", "Triamcinolone", "Volon"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1501", "category": ["biolink:ChemicalEntity"], "name": "FLUOCINONIDE", "xref": ["InChIKey:WJOHZNCJWYWUJD-IUGZLZTKSA-N", "SMILES:CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C"], "synonym": ["Fluocinonide", "Fluocinonide", "Fluocinonide", "Fluocinonide", "Fluocinonide", "Fluocinonida", "Fluocinonide", "Fluocinonide", "Fluocinolide", "Fluocinonide", "NSC-101791", "Fluocinonide", "Fluocinonide emulsified base", "Lidex", "Lidex-e", "Metosyn", "Metosyn fapg", "Vanos", "Fluocinonide", "Fluocinonide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1676", "category": ["biolink:ChemicalEntity"], "name": "FLUTICASONE FUROATE", "xref": ["InChIKey:XTULMSXFIHGYFS-VLSRWLAYSA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF"], "synonym": ["Fluticasone furoate", "Fluticasone furoate", "Fluticasone furoate", "Fluticasone furoate", "Fluticasone furoate", "Furoate de fluticasone", "Furoato de fluticasona", "Fluticasone furoate", "Fluticasone furoate", "Allermist", "Ennhale", "Fluticasone furoate", "Furamist", "GSK 685 698", "GSK-685968", "GSK685968", "GW-685698X", "GW685698X", "Alisade", "Arnuity ellipta", "Avamys", "Flonase sensimist allergy relief", "Fluticasone furoate component of arnuity ellipta", "Fluticasone furoate component of breo ellipta", "Fluticasone furoate component of trelegy ellipta", "Relvar ellipta", "Trelegy ellipta", "Veramyst", "Fluticasone furoate"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1766", "category": ["biolink:ChemicalEntity"], "name": "DESOXIMETASONE", "xref": ["InChIKey:VWVSBHGCDBMOOT-IIEHVVJPSA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO"], "synonym": ["Desoximetasone", "Desoximetasone", "Desoximetasone", "Desoximetasone", "Desoximetasone", "Desoximetasona", "Desoximetasone", "Desoximetasone", "Desoximetasone", "Desoxymethasone", "A-41-304", "A-41304", "HOE 304", "HOE-304", "J83.644C", "NSC-759189", "R 2113", "R-2113", "Desoximetasone", "Stiedex", "Stiedex lp", "Stiedex lpn", "Topicort", "Topicort lp", "Desoximetasone", "Desoximetasone"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200376", "category": ["biolink:ChemicalEntity"], "name": "BETAMETHASONE BENZOATE", "xref": ["InChIKey:SOQJPQZCPBDOMF-YCUXZELOSA-N", "SMILES:C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccccc1)C(=O)CO"], "synonym": ["Betamethasone benzoate", "Betamethasone 17-benzoate", "Betamethasone benzoate", "W 5975", "W-5975", "Uticort", "Betamethasone benzoate", "Betamethasone benzoate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200449", "category": ["biolink:ChemicalEntity"], "name": "TRIAMCINOLONE DIACETATE", "xref": ["InChIKey:XGMPVBXKDAHORN-RBWIMXSLSA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Triamcinolone diacetate", "Triamcinolone 16,21-diacetate", "Aristocort forte", "Orion", "Polcortolon", "Tedarol", "Triamcinolone diacetate", "NSC-757356", "Aristocort", "Kenacort", "Triamcinolone diacetate"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200562", "category": ["biolink:ChemicalEntity"], "name": "HYDROCORTISONE VALERATE", "xref": ["InChIKey:FZCHYNWYXKICIO-FZNHGJLXSA-N", "SMILES:CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Hydrocortisone valerate", "Hydrocortisone 17-valerate", "Cortisol 17-valerate", "Hydrocortisone 17-valerate", "Hydrocortisone valerate", "NSC-759133", "Hydrocortisone valerate", "Westcort", "Hydrocortisone valerate", "Hydrocortisone valerate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200732", "category": ["biolink:ChemicalEntity"], "name": "AMCINONIDE", "xref": ["InChIKey:ILKJAFIWWBXGDU-MOGDOJJUSA-N", "SMILES:CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C"], "synonym": ["Amcinonide", "Amcinonide", "Amcinonide", "Amcinonide", "Amcinonida", "Amcinonide", "CL 34699", "CL-34699", "NSC-758620", "Amcinonide", "Cyclocort", "Amcinonide", "Amcinonide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200989", "category": ["biolink:ChemicalEntity"], "name": "ALCLOMETASONE DIPROPIONATE", "xref": ["InChIKey:DJHCCTTVDRAMEH-DUUJBDRPSA-N", "SMILES:CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl"], "synonym": ["Alclometasone", "Alclometasone", "Alclometasone dipropionate", "Alclometasone dipropionate", "Alclometasone", "Alclometasona", "Alclometasone dipropionate", "Alclometasone 17,21-dipropionate", "Alclometasone dipropionate", "NSC-758914", "SCH 22219", "SCH-22219", "Aclovate", "Alclometasone dipropionate", "Modrasone", "Alclometasone dipropionate", "Alclometasone dipropionate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201014", "category": ["biolink:ChemicalEntity"], "name": "PREDNISOLONE SODIUM PHOSPHATE", "xref": ["InChIKey:VJZLQIPZNBPASX-OJJGEMKLSA-L", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]"], "synonym": ["Prednisolone sodium phosphate", "Prednisolone sodium phosphate", "Prednisolone 21-disodium phosphate", "Prednisolone sodium phosphate", "Prednisoloni natrii phosphas", "NSC-759187", "Codelsol", "Hydeltrasol", "Inflamase forte", "Inflamase mild", "Metreton", "Orapred", "Orapred odt", "Pediapred", "Predair", "Predair forte", "Prednisolone sodium phosphate", "Prednisolone sodium phosphate component of neo-hydeltrasol", "Prednisolone sodium phosphate component of sulster", "Prednisolone sodium phosphate component of vasocidin", "Predsol", "Predsol-n"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1091", "category": ["biolink:ChemicalEntity"], "name": "HYDROCORTISONE ACETATE", "xref": ["InChIKey:ALEXXDVDDISNDU-JZYPGELDSA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Hydrocortisone acetate", "Hydrocortisone acetate", "Hydrocortisone 21-acetate", "Cortisol 21-acetate", "Hydrocortisone acetate", "Hydrocortisoni acetas", "NSC-741", "Barquinol hc", "Chloromycetin hydrocort", "Colifoam", "Cortef acetate", "Cortifoam", "Cortril", "Cortucid", "Dricort", "Epifoam", "Framycort", "Fucidin h", "Genticin hc", "Gentisone hc", "Gppe ear susp", "Gppe eye crm", "Gppe foam aero", "Hc45 hydrocort", "Hemsol-hc", "Hepacort plus", "Hydrocal", "Hydrocortisone acetate", "Hydrocortisone acetate component of carmol hc", "Hydrocortisone acetate component of chloromycetin hydrocortisone", "Hydrocortisone acetate component of coly-mycin s", "Hydrocortisone acetate component of cor-oticin", "Hydrocortisone acetate component of cortisporin", "Hydrocortisone acetate component of epifoam", "Hydrocortisone acetate component of neo-cortef", "Hydrocortisone acetate component of ophthocort", "Hydrocortisone acetate component of pramosone", "Hydrocortisone acetate component of proctofoam hc", "Hydrocortisone acetate component of terra-cortril", "Hydrocortisone acetate component of u-cort", "Hydrocortone", "Lanacort", "Micort-hc", "Neo-cortef", "Orabase hca"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1161", "category": ["biolink:ChemicalEntity"], "name": "MOMETASONE FUROATE", "xref": ["InChIKey:WOFMFGQZHJDGCX-ZULDAHANSA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl"], "synonym": ["Mometasone furoate", "Mometasone furoate", "Mometasone furoate monohydrate", "Mometasone furoate", "Mometasone furoate hydrate", "Mometasone furoate", "Lyr-210", "Mometasone furoate", "Mometasone furoate anhydrous", "Mometasone furoate hydrate", "Monovo", "LAS-41002", "LAS41002", "LYR-210", "LYR210", "NSC-746171", "NSC-760077", "SCH 32088", "SCH-32088", "Asmanex", "Asmanex hfa", "Asmanex twisthaler", "Elocon", "Mometasone furoate", "Mometasone furoate component of dulera", "Mometasone furoate component of lyr-220 active", "Mometasone furoate component of ryaltris", "Nasonex", "Nasonex 24hr allergy", "Sinuva", "Mometasone furoate", "Mometasone furoate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1530428", "category": ["biolink:ChemicalEntity"], "name": "DEXAMETHASONE ACETATE", "xref": ["InChIKey:AKUJBENLRBOFTD-RPRRAYFGSA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Dexamethasone acetate", "Dexamethasone acetate", "Dexamethasone acetate", "Dexamethasone acetate", "Dexamethasone acetate", "Dexamethasone 21-acetate", "Dectancyl", "Dexamethasone acetate", "Dexamethasone acetate anhydrous", "Dexamethasone acetate monohydrate", "Dexamethasoni acetas", "Dexamethasoni acetas monohydrate", "Fortecortin (crystal suspension)", "NSC-39471", "Decadron-la", "Dexamethasone acetate", "Neofordex", "Dexamethasone acetate", "Dexamethasone acetate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1683", "category": ["biolink:ChemicalEntity"], "name": "HYDROCORTISONE BUTYRATE", "xref": ["InChIKey:BMCQMVFGOVHVNG-TUFAYURCSA-N", "SMILES:CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Hydrocortisone butyrate", "Hydrocortisone butyrate", "Hydrocortisone butyrate", "Hydrocortisone butyrate", "Hydrocortisone butyrate", "Hydrocortisone 17-butyrate", "Cortisol 17-butyrate", "Hydrocortisone butyrate", "Hydrocortisone-17-butyrate", "NSC-758433", "Hydrocortisone butyrate", "Locoid", "Locoid c", "Locoid crelo", "Locoid lipocream", "Hydrocortisone butyrate", "Hydrocortisone butyrate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200774", "category": ["biolink:ChemicalEntity"], "name": "FLUPREDNISOLONE", "xref": ["InChIKey:MYYIMZRZXIQBGI-HVIRSNARSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"], "synonym": ["Fluprednisolone", "Fluprednisolone", "Fluprednisolone", "Fluprednisolona", "Fluprednisolone", "NSC-47439", "U-7800", "Alphadrol", "Fluprednisolone"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200878", "category": ["biolink:ChemicalEntity"], "name": "TRIAMCINOLONE HEXACETONIDE", "xref": ["InChIKey:TZIZWYVVGLXXFV-FLRHRWPCSA-N", "SMILES:CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C"], "synonym": ["Triamcinolone hexacetonide", "Triamcinolone hexacetonide", "Triamcinolone hexacetonide", "Triamcinolone hexacetonide", "Hexacetonide de triamcinolone", "Hexacetonido de triamcinolona", "Triamcinolone hexacetonide", "Triamcinolone hexacetonide", "CL 34433", "CL-34433", "TATBA", "Aristospan", "Lederspan", "Triamcinolone hexacetonide", "Triamcinolone hexacetonide"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200975", "category": ["biolink:ChemicalEntity"], "name": "CLOCORTOLONE PIVALATE", "xref": ["InChIKey:SXYZQZLHAIHKKY-GSTUPEFVSA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C"], "synonym": ["Clocortolone pivalate", "Clocortolone 21-pivalate", "Clocortolone pivalate", "SH 863", "SH-863", "Cloderm", "Clocortolone pivalate", "Clocortolone pivalate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201148", "category": ["biolink:ChemicalEntity"], "name": "MEPREDNISONE", "xref": ["InChIKey:PIDANAQULIKBQS-RNUIGHNZSA-N", "SMILES:C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO"], "synonym": ["Meprednisone", "Meprednisone", "Meprednisone", "Meprednisona", "Meprednisone", "Meprednisone", "NSC-527579", "SCH 4358", "SCH-4358", "Betapar", "Meprednisone", "Meprednisone"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2040682", "category": ["biolink:ChemicalEntity"], "name": "CICLESONIDE", "xref": ["InChIKey:LUKZNWIVRBCLON-GXOBDPJESA-N", "SMILES:CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C"], "synonym": ["Ciclesonide", "Ciclesonide", "Ciclesonide", "Ciclesonide", "Ciclesonide", "Ciclesonida", "Ciclesonide", "Ciclesonide", "Ciclesonide", "BI54903", "RPR-251526", "RPR251526", "Alvesco", "Alvesco 160", "Alvesco 80", "Aservo equihaler", "Omnaris", "Zetonna", "Ciclesonide"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL989", "category": ["biolink:ChemicalEntity"], "name": "FLUOCINOLONE ACETONIDE", "xref": ["InChIKey:FEBLZLNTKCEFIT-VSXGLTOVSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"], "synonym": ["Fluocinolone acetonide", "Fluocinolone", "Fluocinolone acetonide", "Fluocinolone acetonide", "Fluocinolone acetonide", "Acetonide de fluocinolone", "Acetonido de fluocinolona", "Fluocinolone acetonide", "Fluocinolone acetonide", "Flucinolone acetonide", "Fluocinolide (acetate)", "Fluocinolone acetonide", "Oto-synalar", "NSC-92339", "Capex", "Derma-smoothe/fs", "Dermotic", "Fluocet", "Fluocinolone acetonide", "Fluocinolone acetonide component of iluvien", "Fluocinolone acetonide component of neo-synalar", "Fluocinolone acetonide component of otovel", "Fluocinolone acetonide component of tri-luma", "Fluonid", "Fluotrex", "Fs shampoo", "Iluvien", "Retisert", "Synalar", "Synalar fte", "Synalar-c", "Synalar-hp", "Synalar-n", "Synandone", "Yutiq", "Fluocinolone acetonide", "Fluocinolone acetonide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1152", "category": ["biolink:ChemicalEntity"], "name": "PREDNISOLONE ACETATE", "xref": ["InChIKey:LRJOMUJRLNCICJ-JZYPGELDSA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Prednisolone acetate", "Prednisolone acetate", "Prednisolone 21-acetate", "Prednisolone acetate", "Prednisoloni acetas", "NSC-10966", "Econopred", "Flo-pred", "Meticortelone", "Omnipred", "Pred forte", "Pred fte", "Pred mild", "Prednisolone acetate", "Prednisolone acetate component of blephamide", "Prednisolone acetate component of blephamide s.o.p.", "Prednisolone acetate component of cetapred", "Prednisolone acetate component of isopto cetapred", "Prednisolone acetate component of metimyd", "Prednisolone acetate component of neo-delta-cortef", "Prednisolone acetate component of poly-pred", "Prednisolone acetate component of pred-g", "Prednisolone acetate component of predamide", "Prednisolone acetate component of predsulfair", "Prednisolone acetate component of sulphrin", "Sterane", "Ultracortenol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1370", "category": ["biolink:ChemicalEntity"], "name": "BUDESONIDE", "xref": ["InChIKey:VOVIALXJUBGFJZ-KWVAZRHASA-N", "SMILES:CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"], "synonym": ["Budesonide", "Budesonide", "Budesonide", "Budesonide", "Budesonide", "Budesonide", "Budesonida", "Budesonide", "Budesonide", "Budesonide", "Eohilia", "MAP-0010", "MAP0010", "NSC-757788", "R01AD05", "S-1320", "Aircort", "Budeflam aquanase", "Budelin novolizer", "Budenofalk", "Budesonide", "Budesonide component of airsupra", "Budesonide component of breztri", "Budesonide component of symbicort", "Budesonide component of uceris", "Cortiment", "Duoresp spiromax", "Entocort", "Entocort cr", "Entocort ec", "Eohilia", "Jorveza", "Kinpeygo", "Ortikos", "Preferid", "Pulmaxan", "Pulmicort", "Pulmicort flexhaler", "Pulmicort l.s.", "Pulmicort respules", "Rhinocort", "Rhinocort allergy", "Rhinocort aqua", "Rhinocort aqua 64", "Symbicort", "Tarpeyo", "Uceris", "Budesonide", "Budesonide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL384467", "category": ["biolink:ChemicalEntity"], "name": "DEXAMETHASONE", "xref": ["InChIKey:UREBDLICKHMUKA-CXSFZGCWSA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"], "synonym": ["Dexamethasone", "Dexamethasone", "Dexamethasone", "Dexamethasone", "Dexamethasone", "Dexamethasone", "Dexametasona", "Dexamethasone", "Dexamethasone metasulfobenzoate sodium", "Dexamethasone palmitate", "Dexamethasone valerate", "Dexamethasone", "Dexamethasone", "Dexycu", "Fluormethylprednisolone", "Mymethasone", "Neodecadron", "ISV-305", "NSC-34521", "OTO-104", "Aeroseb-dex", "Decaderm", "Decadron", "Decadron-75", "Decaspray", "Dexa-sine", "Dexacortal", "Dexacortin", "Dexacortisyl", "Dexafree", "Dexamethasone", "Dexamethasone component of ciprodex", "Dexamethasone component of dexacidin", "Dexamethasone component of dexasporin", "Dexamethasone component of maxitrol", "Dexamethasone component of tobradex", "Dexamethasone component of tobradex st", "Dexamethasone intensol", "Dexamonozon", "Dexapos", "Dexasite", "Dexasone", "Dexone", "Dexone 0.5", "Dexone 0.75", "Dexone 1.5", "Dexone 4", "Dexsol", "Dextenza", "Dexycu kit", "Dropodex", "Fortecortin", "Gppe ear spy", "Hemady", "Hexadrol", "Isopto-dex", "Kortico injection", "Loverine", "Luxazone", "Martapan", "Maxidex", "Maxitrol", "Oradexon", "Otomize", "Ozurdex", "Sofradex", "Spersadex comp", "Tobradex", "Dexamethasone"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1497", "category": ["biolink:ChemicalEntity"], "name": "BETAMETHASONE VALERATE", "xref": ["InChIKey:SNHRLVCMMWUAJD-SUYDQAKGSA-N", "SMILES:CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Betamethasone valerate", "Betamethasone valerate", "Betamethasone valerate", "Betamethasone valerate", "Betamethasone 17-valerate", "Betamethasone (as valerate)", "Betamethasone valerate", "Betamethasoni valeras", "Rinderon v", "Stanoval", "Tokuderm", "NSC-755912", "Audavate", "Audavate rd", "Beta-val", "Betacap", "Betaderm", "Betameth val in coal tar", "Betamethasone valerate", "Betatrex", "Betesil", "Betnovate rd", "Betnovate-c", "Betnovate-n", "Bettamousse", "Bextasol", "Dermabet", "Fucibet", "Luxiq", "Valisone", "Valnac", "Xemacort", "Betamethasone valerate", "Betamethasone valerate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1650", "category": ["biolink:ChemicalEntity"], "name": "CORTISONE ACETATE", "xref": ["InChIKey:ITRJWOMZKQRYTA-RFZYENFJSA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C"], "synonym": ["Cortisone", "Cortisone acetate", "Cortisone acetate", "Cortisone", "Cortisona", "Cortisone 21-acetate", "Cortisone acetate", "Cortisone aceticum", "NSC-49420", "Cortate", "Cortelan", "Cortisone acetate", "Cortistab", "Cortisyl", "Cortone"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200617", "category": ["biolink:ChemicalEntity"], "name": "RIMEXOLONE", "xref": ["InChIKey:QTTRZHGPGKRAFB-OOKHYKNYSA-N", "SMILES:CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Rimexolone", "Rimexolone", "Rimexolone", "Rimexolone", "Rimexolone", "Rimexolona", "Rimexolone", "Rimexolon", "Rimexolone", "ORG 6216", "ORG-6216", "Vexol", "Rimexolone", "Rimexolone"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1364144", "category": ["biolink:ChemicalEntity"], "name": "METHYLPREDNISOLONE ACETATE", "xref": ["InChIKey:PLBHSZGDDKCEHR-LFYFAGGJSA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Methyl prednisolone acetate", "Methylprednisolone acetate", "Methylprednisolone acetate", "Methylprednisolone 21-acetate", "Methylprednisolone acetate", "NSC-48985", "Depo-medrol", "Depo-medrone", "M-predrol", "Medrol acetate", "Methylprednisolone acetate", "Methylprednisolone acetate component of neo-medrol acetate", "Neo-medrone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200953", "category": ["biolink:ChemicalEntity"], "name": "HYDROCORTISONE PROBUTATE", "xref": ["InChIKey:FOGXJPFPZOHSQS-AYVLZSQQSA-N", "SMILES:CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Hydrocortisone buteprate", "Hydrocortisone probutate", "Hydrocortisone butyrate propionate", "Hydrocortisone buteprate", "Hydrocortisone probutat", "Hydrocortisone probutate", "TS 408", "TS-408", "Pandel", "Hydrocortisone probutate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201012", "category": ["biolink:ChemicalEntity"], "name": "FLURANDRENOLIDE", "xref": ["InChIKey:POPFMWWJOGLOIF-XWCQMRHXSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"], "synonym": ["Fludroxycortide", "Fludroxycortide", "Fludroxycortide", "Fludroxycortide", "Flurandrenolide", "Fludroxycortide", "Fludroxicortida", "Fludroxycortide", "Flurandrenolide", "Fludroxicortide", "Fludroxycortide", "Flurandrenolide", "Flurandrenolone", "33379", "NSC-757869", "Cordran", "Cordran sp", "Flurandrenolide", "Flurandrenolide component of cordran-n", "Haelan", "Haelan-c", "Haelan-x", "Flurandrenolide", "Flurandrenolide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1473", "category": ["biolink:ChemicalEntity"], "name": "FLUTICASONE PROPIONATE", "xref": ["InChIKey:WMWTYOKRWGGJOA-CENSZEJFSA-N", "SMILES:CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Fluticasone propionate", "Fluticasone propionate", "Fluticasone propionate", "Fluticasone propionate", "Fluticaps", "Fluticasone propionate", "Fluticasone-17-propionate", "Opn-375", "Optinose", "CCI 18781", "CCI-18781", "CCI18781", "FLOVENT", "NSC-759889", "PF-00241939", "R01AD08", "Aerivio spiromax", "Airflusal forspiro", "Armonair digihaler", "Armonair respiclick", "Cutivate", "Flixonase", "Flixotide", "Flonase", "Flonase allergy relief", "Flovent", "Flovent diskus 100", "Flovent diskus 250", "Flovent diskus 50", "Flovent hfa", "Fluticasone propionate", "Fluticasone propionate component of advair", "Fluticasone propionate component of advair hfa", "Fluticasone propionate component of airduo respiclick", "Fluticasone propionate component of dymista", "Fluticasone propionate component of lipo-102", "Flutiform", "Nasofan", "Pirinase", "Sereflo", "Seretide 100", "Seretide 125", "Seretide 250", "Seretide 50", "Seretide 500", "Sirdupla", "Xhance", "Fluticasone propionate", "Fluticasone propionate"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1276308", "category": ["biolink:ChemicalEntity"], "name": "MIFEPRISTONE", "xref": ["InChIKey:VKHAHZOOUSRJNA-GCNJZUOMSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C"], "synonym": ["Mifepristone", "Mifepristone", "Mifepristone", "Mifepristone", "Mifepristone", "Mifepristona", "Mifepristone", "Mifepristone", "Mifepristone", "NSC-759862", "RU 38486", "RU 486", "RU-38486", "RU-486", "RU486", "Korlym", "Mifegyne", "Mifeprex", "Mifepristone", "Mifepristone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL853", "category": ["biolink:ChemicalEntity"], "name": "ZALCITABINE", "xref": ["InChIKey:WREGKURFCTUGRC-POYBYMJQSA-N", "SMILES:Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1"], "synonym": ["Zalcitabine", "Zalcitabine", "Zalcitabine", "Zalcitabine", "Zalcitabine", "Zalcitabina", "Zalcitabine", "Zalcitabine", "Ddc (ddc)", "Dideoxycytidine", "Zalcitabine", "Zalcitabine (dideoxycytidine,ddc)", "NSC-606170", "RO 24-2027/000", "RO-24-2027/000", "RO-24-2027000", "RO-242027000", "Ro-24-2027-000", "Hivid", "Zalcitabine", "Zalcitabine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Human immunodeficiency virus type 1 reverse transcriptase", "synonym": ["Reverse transcriptase/RNaseH"], "xref": ["CHEMBL.TARGET:CHEMBL247"], "id": "UniProtKB:Q72547", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL929", "category": ["biolink:ChemicalEntity"], "name": "DELAVIRDINE MESYLATE", "xref": ["InChIKey:MEPNHSOMXMALDZ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O"], "synonym": ["Delavirdine mesylate", "Delavirdine mesilate", "Delavirdine methanesulfonate", "Delavirdine mesilate", "Delavirdine mesylate", "U-90152S", "U-90152T", "Rescriptor", "Delavirdine mesylate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1460", "category": ["biolink:ChemicalEntity"], "name": "DIDANOSINE", "xref": ["InChIKey:BXZVVICBKDXVGW-NKWVEPMBSA-N", "SMILES:O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1"], "synonym": ["Didanosine", "Didanosine", "Didanosine", "Didanosine", "Didanosine", "Didanosina", "Didanosine", "Didanosine", "(-)-didanosine", "Ddi", "Didanosine", "Didanosinum", "Dideoxyinosine (ddi)", "BMY-40900", "NSC-612049", "Didanosine", "Videx", "Videx ec", "Didanosine", "Didanosine", "Didanosine system suitability mixture"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1486", "category": ["biolink:ChemicalEntity"], "name": "TENOFOVIR DISOPROXIL FUMARATE", "xref": ["InChIKey:VCMJCVGFSROFHV-WZGZYPNHSA-N", "SMILES:CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.O=C(O)/C=C/C(=O)O"], "synonym": ["Tenofovir disoproxil fumarate", "Tenofovir disoproxil fumarate", "Tenofovir disoproxil fumarate", "Tenofovir disoproxil fumarate", "Tenofovir df", "Tenofovir disoproxil fumarate", "Tenofoviri disoproxili fumaras", "Virea", "GS-4331-05", "GS-4331-05-", "GSK-548470", "GSK548470", "PMPA PRODRUG", "PMPA-PRODRUG", "Tenofovir disoproxil fumarate", "Tenofovir disoproxil fumarate component of atripla", "Tenofovir disoproxil fumarate component of cimduo", "Tenofovir disoproxil fumarate component of complera", "Tenofovir disoproxil fumarate component of delstrigo", "Tenofovir disoproxil fumarate component of eviplera", "Tenofovir disoproxil fumarate component of odefsey", "Tenofovir disoproxil fumarate component of stribild", "Tenofovir disoproxil fumarate component of symfi", "Tenofovir disoproxil fumarate component of temixys", "Tenofovir disoproxil fumarate component of truvada", "Viread", "Tenofovir disoproxil fumarate", "Tenofovir disoproxil fumarate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL885", "category": ["biolink:ChemicalEntity"], "name": "EMTRICITABINE", "xref": ["InChIKey:XQSPYNMVSIKCOC-NTSWFWBYSA-N", "SMILES:Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F"], "synonym": ["Emtricitabine", "Emtricitabine", "Emtricitabine", "Emtricitabine", "Emtricitabine", "Emtricitabina", "Emtricitabine", "Emtricitabine", "(-)-emtricitabine", "Coviracil", "Emtricitabine", "Emtricitabine, (-)-", "Emtricitabinum", "(-)-FTC", "524-W-91", "524W91", "BW-524W91", "FTC-(-)", "Emtricitabine component of atripla", "Emtricitabine component of biktarvy", "Emtricitabine component of complera", "Emtricitabine component of descovy", "Emtricitabine component of eviplera", "Emtricitabine component of genvoya", "Emtricitabine component of odefsey", "Emtricitabine component of stribild", "Emtricitabine component of symtuza", "Emtricitabine component of truvada", "Emtriva", "Emtricitabine", "Emtricitabine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL223228", "category": ["biolink:ChemicalEntity"], "name": "EFAVIRENZ", "xref": ["InChIKey:XPOQHMRABVBWPR-ZDUSSCGKSA-N", "SMILES:O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1"], "synonym": ["Efavirenz", "Efavirenz", "Efavirenz", "Efavirenz", "Efavirenz", "Efavirenz", "Efavirenz", "Efavirenz", "(-)-efavirenz", "Efavirenz", "Efavirenz teva", "Efavirenzum", "Stocrin", "Viraday", "DMP-266", "L-743726", "NSC-742403", "Efavirenz", "Efavirenz component of atripla", "Efavirenz component of symfi", "Efavirenz component of telura", "Efavirenz teva", "Stocrin", "Sustiva", "Sustiva 600", "Efavirenz"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL129", "category": ["biolink:ChemicalEntity"], "name": "ZIDOVUDINE", "xref": ["InChIKey:HBOMLICNUCNMMY-XLPZGREQSA-N", "SMILES:Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O"], "synonym": ["Zidovudine", "Zidovudine", "Zidovudine", "Zidovudine", "Zidovudine", "Zidovudina", "Zidovudine", "Zidovudine", "3'-azt", "Azidothymidine", "Bwa509u", "Zidovudine", "Zidovudinum", "AZT", "BW A509U", "BW-A-509U", "BW-A509U", "COMPOUND S", "COMPOUND-S", "NSC-602670", "Retrovir", "Zidovudine", "Zidovudine component of combivir", "Zidovudine component of lamivudine/ teva", "Zidovudine component of trizivir", "Zidovudine", "Zidovudine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4303288", "category": ["biolink:ChemicalEntity"], "name": "ABACAVIR SULFATE", "xref": ["InChIKey:WMHSRBZIJNQHKT-FFKFEZPRSA-N", "SMILES:Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O"], "synonym": ["Abacavir sulfate", "Abacavir sulfate", "Abacavir sulfate", "Abacavir sulfate", "Abacavir (as sulfate)", "Abacavir hemisulfate", "Abacavir sulfate", "Abacavir sulphate", "Abacaviri sulfas", "Abamune", "1592U89", "1592U89 SULFATE", "DRG-0257", "NSC-760063", "Abacavir sulfate", "Abacavir sulfate component of epzicom", "Abacavir sulfate component of kivexa", "Abacavir sulfate component of triumeq", "Abacavir sulfate component of trizivir", "Ziagen", "Abacavir sulfate", "Abacavir sulfate", "Abacavir sulfate racemic"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL57", "category": ["biolink:ChemicalEntity"], "name": "NEVIRAPINE", "xref": ["InChIKey:NQDJXKOVJZTUJA-UHFFFAOYSA-N", "SMILES:Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1"], "synonym": ["Nevirapine", "Nevirapine", "Nevirapine", "Nevirapine", "Nevirapine", "Nevirapine", "Nevirapina", "Nevirapine", "Nevirapine", "Nevirapine", "Nevirapine teva", "Nevirapine, anhydrous", "Nevirapinum anhydrous", "BIRG 0587", "BIRG-0587", "BIRG0587", "NSC-641530", "Nevirapine", "Nevirapine teva", "Viramune", "Viramune xr", "Nevirapine", "Nevirapine", "Nevirapine anhydrous"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL991", "category": ["biolink:ChemicalEntity"], "name": "STAVUDINE", "xref": ["InChIKey:XNKLLVCARDGLGL-JGVFFNPUSA-N", "SMILES:Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O"], "synonym": ["Stavudine", "Stavudine", "Stavudine", "Stavudine", "Stavudine", "Stavudine", "Estavudina", "Sanilvudine", "Stavudine", "Sanilvudine", "Stavudine", "Stavudine (d4t)", "Stavudine (dt4)", "Stavudinum", "BMY-27857", "D-4T", "D4T", "NSC-163661", "NSC-759897", "Stavudine", "Zerit", "Zerit xr", "Stavudine", "Stavudine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1628504", "category": ["biolink:ChemicalEntity"], "name": "RILPIVIRINE HYDROCHLORIDE", "xref": ["InChIKey:KZVVGZKAVZUACK-BJILWQEISA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1.Cl"], "synonym": ["Rilpivirine hydrochloride", "Rilpivirine hydrochloride", "Edurant ped", "Rilpivirine (as hydrochloride)", "Rilpivirine hcl", "Rilpivirine hydrochloride", "TMC-278 HYDROCHLORIDE", "TMC278 HYDROCHLORIDE", "Edurant", "Edurant ped", "Rilpivirine hydrochloride component of complera", "Rilpivirine hydrochloride component of eviplera", "Rilpivirine hydrochloride component of juluca", "Rilpivirine hydrochloride component of odefsey", "Rilpivirine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL308954", "category": ["biolink:ChemicalEntity"], "name": "ETRAVIRINE", "xref": ["InChIKey:PYGWGZALEOIKDF-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br"], "synonym": ["Etravirine", "Etravirine", "Etravirine", "Etravirine", "Etravirine", "Etravirina", "Etravirine", "Etravirine", "Etravirine", "R-165335", "R165335", "TMC 125", "TMC-125", "TMC125", "Intelence", "Etravirine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL141", "category": ["biolink:ChemicalEntity"], "name": "LAMIVUDINE", "xref": ["InChIKey:JTEGQNOMFQHVDC-NKWVEPMBSA-N", "SMILES:Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1"], "synonym": ["Lamivudine", "Lamivudine", "Lamivudine", "Lamivudine", "Lamivudine", "Lamivudine", "Lamivudina", "Lamivudine", "Lamivudine", "Lamivudine", "Lamivudine teva", "Lamivudinum", "Virolam", "3TC", "BCH 189, (-)-", "GR 109714X", "GR-109714X", "GR109714X", "NSC-760061", "Epivir", "Epivir-hbv", "Lamivudine", "Lamivudine component of /zidovudine teva", "Lamivudine component of cimduo", "Lamivudine component of combivir", "Lamivudine component of delstrigo", "Lamivudine component of dovato", "Lamivudine component of dutrebis", "Lamivudine component of epzicom", "Lamivudine component of kivexa", "Lamivudine component of symfi", "Lamivudine component of temixys", "Lamivudine component of triumeq", "Lamivudine component of trizivir", "Lamivudine teva", "Lamivudine teva pharma b.v.", "Zeffix", "Lamivudine", "Lamivudine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201142", "category": ["biolink:ChemicalEntity"], "name": "RASAGILINE MESYLATE", "xref": ["InChIKey:JDBJJCWRXSVHOQ-UTONKHPSSA-N", "SMILES:C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O"], "synonym": ["Rasagiline mesilate", "Rasagiline mesylate", "Rasagiline mesylate", "Agilect", "Azilect", "Rasagiline (as mesilate)", "Rasagiline mesylate", "Rasagline ratiopharm", "TVP-1012", "Azilect", "Rasagiline mesylate", "Rasagiline ratiopharm", "Rasagiline mesylate"], "chembl_availability_type": "prescription only"}
{"name": "Amine oxidase [flavin-containing] B", "xref": ["CHEMBL.TARGET:CHEMBL2039"], "id": "UniProtKB:P27338", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200904", "category": ["biolink:ChemicalEntity"], "name": "SELEGILINE HYDROCHLORIDE", "xref": ["InChIKey:IYETZZCWLLUHIJ-UTONKHPSSA-N", "SMILES:C#CCN(C)[C@H](C)Cc1ccccc1.Cl"], "synonym": ["Selegiline hydrochloride", "Selegiline hydrochloride", "Selegiline hydrochloride", "Selegiline hydrochloride", "L-deprenyl", "Selegiline hcl", "Selegiline hydrochloride", "NSC-759259", "Centrapryl 10", "Centrapryl 5", "Eldepryl", "Ensam", "Selegiline hydrochloride", "Stilline 10", "Stilline 5", "Vivapryl", "Zelapar", "Selegiline hydrochloride", "Selegiline hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL972", "category": ["biolink:ChemicalEntity"], "name": "SELEGILINE", "xref": ["InChIKey:MEZLKOACVSPNER-GFCCVEGCSA-N", "SMILES:C#CCN(C)[C@H](C)Cc1ccccc1"], "synonym": ["Selegiline", "Selegiline", "Selegiline", "Selegiline", "Selegilina", "Selegiline", "L-selegiline", "Selegiline", "Emsam", "Selegiline"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201571", "category": ["biolink:ChemicalEntity"], "name": "ALEFACEPT", "synonym": ["Alefacept", "Alefacept", "Alefacept", "Alefacept", "Alefacept", "Alefacept", "Human lfa-3igg fusion protein", "BG-9273", "BG-9712", "BG9273", "BG9712", "LFA-3CD2", "LFA-3TIP", "LFA3TIP", "Amevive", "Alefacept"], "chembl_availability_type": "prescription only"}
{"name": "T-cell surface antigen CD2", "xref": ["CHEMBL.TARGET:CHEMBL2040"], "id": "UniProtKB:P06729", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase Lck", "xref": ["CHEMBL.TARGET:CHEMBL258"], "id": "UniProtKB:P06239", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404271", "category": ["biolink:ChemicalEntity"], "name": "ACARBOSE", "xref": ["InChIKey:XUFXOAAUWZOOIT-UGEKTDRHSA-N", "SMILES:C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O"], "synonym": ["Acarbose", "Acarbose", "Acarbose", "Acarbose", "Acarbose", "Acarbosa", "Acarbose", "Acarbose", "Acarbose", "BAY G 5421", "BAY-G 5421", "BAY-G-5421", "NSC-758915", "Acarbose", "Glucobay", "Precose", "Acarbose", "Acarbose"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Pancreatic alpha-amylase", "xref": ["CHEMBL.TARGET:CHEMBL2045"], "id": "UniProtKB:P04746", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1551", "category": ["biolink:ChemicalEntity"], "name": "URSODIOL", "xref": ["InChIKey:RUDATBOHQWOJDD-UZVSRGJWSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Ursodeoxycholic acid", "Ursodeoxycholic acid", "Ursodeoxycholic acid", "Ursodiol", "Ursodeoxycholic acid", "Acide ursodeoxycholique", "Acido ursodeoxicolico", "Ursodesoxycholic acid", "Ursodiol", "Ursodeoxycholate", "Ursodeoxycholic acid", "Ursodesoxycholic acid", "Ursodiol", "Ursonorm", "NSC-683769", "Actigall", "Cholurso", "Destolit", "Urdox", "Urso", "Urso 250", "Urso forte", "Ursodiol", "Ursofalk", "Ursogal", "Ursodiol", "Ursodiol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Bile acid receptor", "xref": ["CHEMBL.TARGET:CHEMBL2047"], "id": "UniProtKB:Q96RI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240597", "category": ["biolink:ChemicalEntity"], "name": "CHENODIOL", "xref": ["InChIKey:RUDATBOHQWOJDD-BSWAIDMHSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Chenodeoxycholic acid", "Chenodeoxycholic acid", "Chenodeoxycholic acid", "Chenodeoxycholic acid", "Chenodiol", "Chenodiol", "Chenodeoxycholic acid", "Acide chenodesoxycholique", "Acido quenodeoxicolico", "Chenodeoxycholic acid", "Chenodiol", "Anthropodeoxycholic acid", "Anthropodesoxycholic acid", "Anthropododesoxycholic acid", "Chendol", "Chenic acid", "Chenocol", "Chenodeoxycholate", "Chenodeoxycholic acid", "Chenodesoxycholic acid", "Chenodiol", "Chenossil", "Cholanorm", "Fluibil", "Gallodesoxycholic acid", "NSC-657949", "NSC-757798", "Chendol 125", "Chendol 250", "Chenix", "Chenocedon", "Chenodeoxycholic acid leadiant (previously known as chenodeoxycholic acid sigma-tau)", "Chenodiol", "Chenofalk", "Combidol", "Lithofalk", "Xenbilox", "Chenodiol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL395429", "category": ["biolink:ChemicalEntity"], "name": "OXYTOCIN", "xref": ["InChIKey:XNOPRXBHLZRZKH-DSZYJQQASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"], "synonym": ["Oxytocin", "Oxytocin", "Oxytocin", "Oxytocin", "Oxytocine", "Oxitocina", "Oxytocin", "Alpha-hypophamine", "Endopituitrina", "Intertocine s", "Oxytocin", "Oxytocinum", "TNX-1900", "TNX1900", "TTA-121", "Orasthin", "Oxytocin", "Pitocin", "Syntocinon", "Syntometrine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Oxytocin receptor", "xref": ["CHEMBL.TARGET:CHEMBL2049"], "id": "UniProtKB:P30559", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200340", "category": ["biolink:ChemicalEntity"], "name": "OSELTAMIVIR PHOSPHATE", "xref": ["InChIKey:PGZUMBJQJWIWGJ-ONAKXNSWSA-N", "SMILES:CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O"], "synonym": ["Oseltamivir phosphate", "Oseltamivir phosphate", "Oseltamivir phosphate", "Oseltamivir phosphate", "Oseltamivir phosphate", "Agucort", "Oseltamivir (as phosphate)", "Oseltamivir phosphate", "Oseltamiviri phosphas", "RO 64-0796/002", "RO-64-0796-002", "RO-64-0796/002", "Ebilfumin", "Oseltamivir phosphate", "Tamiflu", "Oseltamivir phosphate", "Oseltamivir phosphate"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"name": "Neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL2051"], "id": "UniProtKB:P03468", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:211044"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222813", "category": ["biolink:ChemicalEntity"], "name": "ZANAMIVIR", "xref": ["InChIKey:ARAIBEBZBOPLMB-UFGQHTETSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N"], "synonym": ["Zanamivir", "Zanamivir", "Zanamivir", "Zanamivir", "Zanamivir", "Zanamivir", "Zanamivir", "GG-167", "GG167", "GR 121167X", "GR-121167", "GR-121167X", "Relenza", "Zanamivir", "Zanamivir"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL535396", "category": ["biolink:ChemicalEntity"], "name": "RIMANTADINE HYDROCHLORIDE", "xref": ["InChIKey:OZBDFBJXRJWNAV-UHFFFAOYSA-N", "SMILES:CC(N)C12CC3CC(CC(C3)C1)C2.Cl"], "synonym": ["Rimantadine hydrochloride", "Rimantadine hydrochloride", "Rimantadine hcl", "Rimantadine hydrochloride", "EXP 126", "EXP-126", "NSC-206764", "Flumadine", "Meradan", "Rimantadine hydrochloride", "Roflual", "Rimantadine hydrochloride", "Rimantadine hydrochloride"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Matrix protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2052"], "id": "UniProtKB:P0DOF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:385599"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201746", "category": ["biolink:ChemicalEntity"], "name": "PRALATREXATE", "xref": ["InChIKey:OGSBUKJUDHAQEA-WMCAAGNKSA-N", "SMILES:C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"], "synonym": ["Pralatrexate", "Pralatrexate", "Pralatrexate", "Pralatrexato", "Pralatrexate", "Pralatrexate", "Pralatrexate", "NSC-754230", "PDX", "Folotyn", "Pralatrexate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Dihydrofolate reductase", "xref": ["CHEMBL.TARGET:CHEMBL202"], "id": "UniProtKB:P00374", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3244648", "category": ["biolink:ChemicalEntity"], "name": "METHOTREXATE SODIUM", "xref": ["InChIKey:DASQOOZCTWOQPA-GXKRWWSZSA-L", "SMILES:CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Na+].[Na+]"], "synonym": ["Methotrexate sodium", "Methotrexate disodium salt", "Disodium methotrexate", "Methotrexate (as disodium)", "Methotrexate disodium", "Methotrexate sodium", "Methotrexate sodium salt", "Methotrexate, sodium salt", "ADX-2191 SODIUM", "Abitrexate", "Folex", "Folex pfs", "Methotrexate lpf", "Methotrexate preservative free", "Methotrexate sodium", "Methotrexate sodium preservative free", "Mexate", "Mexate-aq", "Mexate-aq preserved", "Trexall", "Xatmep"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1026", "category": ["biolink:ChemicalEntity"], "name": "FENOLDOPAM MESYLATE", "xref": ["InChIKey:CVKUMNRCIJMVAR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1"], "synonym": ["Fenoldopam mesylate", "Fenoldopam methanesulfonate", "Fendolopam mesylate", "Fenoldopam mesilate", "Fenoldopam mesylate", "NSC-759860", "SK&F 82526-J", "SK&F-82526-J", "SK&F-82526J", "SK-82526-J", "Corlopam", "Fenoldopam mesylate", "Fenoldopam mesylate", "Fenoldopam mesylate"], "chembl_availability_type": "discontinued"}
{"name": "D(1A) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL2056"], "id": "UniProtKB:P21728", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1029", "category": ["biolink:ChemicalEntity"], "name": "MIGLUSTAT", "xref": ["InChIKey:UQRORFVVSGFNRO-UTINFBMNSA-N", "SMILES:CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"], "synonym": ["Miglustat", "Miglustat", "Miglustat", "Miglustat", "Miglustat", "Miglustat", "Miglustat", "Miglustat", "Butyldeoxynojirimycin", "Miglustat", "N-butyldeoxynojirimycin", "Opfolda", "OGT 918", "OGT-918", "Miglustat dipharma", "Miglustat gen.orph", "Opfolda", "Yargesa", "Zavesca", "Miglustat"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Ceramide glucosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2063"], "id": "UniProtKB:Q16739", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-A receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL2068"], "id": "UniProtKB:P29317", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201477", "category": ["biolink:ChemicalEntity"], "name": "POLYESTRADIOL PHOSPHATE", "synonym": ["Polyestradiol phosphate", "Polyestradiol phos phosphate", "Polyestradiol phosphate", "Polyestradiol phosphate", "Phosphate de polyestradiol", "Fosfato de poliestradiol", "Estradiol phosphate polymer", "LEO 114", "LEO-114", "Estradurin", "Polyest phos"], "chembl_availability_type": "discontinued"}
{"name": "Estrogen receptor", "xref": ["CHEMBL.TARGET:CHEMBL206"], "id": "UniProtKB:P03372", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL786", "category": ["biolink:ChemicalEntity"], "name": "TAMOXIFEN CITRATE", "xref": ["InChIKey:FQZYTYWMLGAPFJ-OQKDUQJOSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Tamoxifen citrate", "Tamoxifen citrate", "Tamoxifen citrate", "Tamoxifen citrate", "Kessar", "Nourytam", "Tamofene", "Tamoxifen citrate", "Tamoxifeni citras", "Tomaxasta", "Zemide", "Zitazonium", "I.C.I.46474 CITRATE", "ICI 46,474", "ICI-46474", "NSC-180973", "NSC-757345", "Emblon", "Fentamox 10", "Fentamox 20", "Kentadex", "Kessar 10", "Kessar 20", "Noltam", "Nolvadex", "Nolvadex d", "Nolvadex fte", "Oestrifen-10", "Oestrifen-20", "Oestrifen-40", "Soltamox", "Tamofen", "Tamoxifen citrate", "Zynoplex", "Tamoxifen citrate", "Tamoxifen citrate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1405", "category": ["biolink:ChemicalEntity"], "name": "ESTRONE", "xref": ["InChIKey:DNXHEGUUPJUMQT-CBZIJGRNSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O"], "synonym": ["Estrone", "Estrone", "Estrone", "Estrone", "Estrona", "Estrone", "Estrone", "1,3,5-estratrien-3-ol-17-one", "Estradiol metabolite e1", "Estrone", "Follicular hormone", "Follicular-hormone", "Folliculin", "Folliculinum", "Ketohydroxyestrin", "Thelykinin", "Tokokin", "NSC-9699", "WAY 164397", "Estrogenic substance", "Estrone", "Natural estrogenic substance-estrone", "Theelin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL135", "category": ["biolink:ChemicalEntity"], "name": "ESTRADIOL", "xref": ["InChIKey:VOXZDWNPVJITMN-ZBRFXRBCSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"], "synonym": ["Estradiol", "Estradiol", "Estradiol", "Estradiol hemihydrate", "Estradiol", "Estradiol", "Estradiol", "17 .beta.-estradiol", "17-.beta.-oestradiol", "17-beta-oestradiol", "17.beta.-estradiol", "17beta-estradiol", "Aerodiol", "Estradiol", "Estradiol 17-beta", "Estradiol anhydrous", "Estradiol valerate metabolite e2", "NSC-20293", "NSC-9895", "S 21400", "S21400", "S21400 (INTRANASAL)", "WC-3011", "WC3011", "Adgyn estro", "Alora", "Aquagen", "Bedol", "Climara", "Dermestril 100", "Dermestril 25", "Dermestril 50", "Dermestril septem 25", "Dermestril septem 50", "Dermestril septem 75", "Divigel", "E-cypionate", "Elestrim", "Elestrin", "Elleste solo", "Elleste solo mx 40", "Elleste solo mx 80", "Esclim", "Estrace", "Estraderm", "Estraderm mx 100", "Estraderm mx 25", "Estraderm mx 50", "Estraderm mx 75", "Estraderm tts 100", "Estraderm tts 25", "Estraderm tts 50", "Estradiol", "Estradiol component of activella", "Estradiol component of angeliq", "Estradiol component of bijuva", "Estradiol component of climara pro", "Estradiol component of combipatch", "Estradiol component of myfembree", "Estradiol component of oriahnn", "Estradiol component of prefest", "Estrasorb", "Estring", "Estrogel", "Evamist", "Evorel 100", "Evorel 25", "Evorel 50", "Evorel 75", "Fematrix 40", "Fematrix 80", "Fempatch", "Femseven 100", "Femseven 50", "Femseven 75", "Gynodiol", "Gynogen", "Imvexxy", "Innofem", "Menorest 37.5", "Menorest 50", "Menorest 75", "Menoring 50", "Menostar", "Minivelle", "Progynova ts", "Sandrena", "Vagifem", "Vagifem 18", "Vagifem 8", "Vivelle", "Vivelle-dot", "Zumenon"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200430", "category": ["biolink:ChemicalEntity"], "name": "ESTRADIOL ACETATE", "xref": ["InChIKey:FHXBMXJMKMWVRG-SLHNCBLASA-N", "SMILES:CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"], "synonym": ["Estradiol acetate", "Estradiol 3-acetate", "Estradiol acetate", "E3A", "ESTRADIOL-3-ACETATE", "Femring", "Femtrace", "Estradiol acetate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1511", "category": ["biolink:ChemicalEntity"], "name": "ESTRADIOL VALERATE", "xref": ["InChIKey:RSEPBGGWRJCQGY-RBRWEJTLSA-N", "SMILES:CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C"], "synonym": ["Estradiol valerate", "Estradiol valerate", "Estradiol valerate", "Valerate d'estradiol", "Valerato de estradiol", "Estradiol 17-valerate", ".beta.-estradiol 17-valerate", "Estradiol valerate", "NSC-17590", "Climaval", "Deladumone", "Delestrogen", "Estradiol valerate", "Estradiol valerate component of ditate-ds", "Estradiol valerate component of natazia", "Femtab", "Progynon depot", "Progynon-depot-10", "Progynova"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3185958", "category": ["biolink:ChemicalEntity"], "name": "CLOMIPHENE CITRATE", "xref": ["InChIKey:PYTMYKVIJXPNBD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Clomifene citrate", "Clomiphene citrate", "Clomifene citrate", "Clomiphene citrate", "Chloramiphene", "Clomifene citrate", "Clomifeni citras", "Clomiphene citrate", "Clomiphene citrate (1:1)", "Clostilbegyt", "Ikaclomine", "Pergotime", "MER-41", "MRL-41", "NSC-35770", "Clomid", "Clomiphene citrate", "Clophene", "Milophene", "Serophene", "Clomiphene citrate", "Clomiphene citrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL691", "category": ["biolink:ChemicalEntity"], "name": "ETHINYL ESTRADIOL", "xref": ["InChIKey:BFPYWIDHMRZLRN-SLHNCBLASA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C"], "synonym": ["Ethinylestradiol", "Ethinylestradiol", "Ethinyl estradiol", "Ethinylestradiol", "Etinilestradiol", "Ethinyl estradiol", "17-ethinylestradiol", "17alpha-ethinylestradiol", "Enovid", "Enovid-e", "Ethinyl estradiol", "Ethinylestradiol", "Ethinylestradiolum", "Ethynylestradiol", "Ginestrene", "Ovulen", "Ovulen-21", "Ovulen-28", "NSC-10973", "Estinyl", "Ethinyl estradiol component of alesse", "Ethinyl estradiol component of altavera", "Ethinyl estradiol component of annovera", "Ethinyl estradiol component of aranelle", "Ethinyl estradiol component of aviane", "Ethinyl estradiol component of balcoltra", "Ethinyl estradiol component of bekyree", "Ethinyl estradiol component of beyaz", "Ethinyl estradiol component of brevicon", "Ethinyl estradiol component of cryselle", "Ethinyl estradiol component of cyclessa", "Ethinyl estradiol component of desogen", "Ethinyl estradiol component of elifemme", "Ethinyl estradiol component of enpresse", "Ethinyl estradiol component of enskyce", "Ethinyl estradiol component of estrostep fe", "Ethinyl estradiol component of femcon fe", "Ethinyl estradiol component of femhrt", "Ethinyl estradiol component of femlyv", "Ethinyl estradiol component of introvale", "Ethinyl estradiol component of isibloom", "Ethinyl estradiol component of kariva", "Ethinyl estradiol component of kelnor", "Ethinyl estradiol component of kurvelo", "Ethinyl estradiol component of lessina", "Ethinyl estradiol component of levlite", "Ethinyl estradiol component of levonest", "Ethinyl estradiol component of levora", "Ethinyl estradiol component of lo loestrin fe", "Ethinyl estradiol component of lo minastrin fe", "Ethinyl estradiol component of loseasonique", "Ethinyl estradiol component of lybrel", "Ethinyl estradiol component of marlissa", "Ethinyl estradiol component of minastrin 24 fe", "Ethinyl estradiol component of mircette", "Ethinyl estradiol component of nordette", "Ethinyl estradiol component of norinyl", "Ethinyl estradiol component of norquest fe", "Ethinyl estradiol component of nuvaring", "Ethinyl estradiol component of orsythia", "Ethinyl estradiol component of ortho tri-cyclen", "Ethinyl estradiol component of ortho-cept", "Ethinyl estradiol component of ovral", "Ethinyl estradiol component of pimtrea", "Ethinyl estradiol component of portia", "Ethinyl estradiol component of preven", "Ethinyl estradiol component of previfem", "Ethinyl estradiol component of quartette", "Ethinyl estradiol component of quasense", "Ethinyl estradiol component of safyral", "Ethinyl estradiol component of seasonale", "Ethinyl estradiol component of seasonique", "Ethinyl estradiol component of setlakin", "Ethinyl estradiol component of sprintec", "Ethinyl estradiol component of taytulla", "Ethinyl estradiol component of tri lo sprintec", "Ethinyl estradiol component of tri-legest fe", "Ethinyl estradiol component of tri-previfem", "Ethinyl estradiol component of tri-sprintec", "Ethinyl estradiol component of triphasil", "Ethinyl estradiol component of trivora", "Ethinyl estradiol component of twirla", "Ethinyl estradiol component of tyblume", "Ethinyl estradiol component of velivet", "Ethinyl estradiol component of vienva", "Ethinyl estradiol component of viorele", "Ethinyl estradiol component of volnea", "Ethinyl estradiol component of vyfemla", "Ethinyl estradiol component of xulane", "Ethinyl estradiol component of yasmin", "Ethinyl estradiol component of yaz", "Ethinyl estradiol component of zovia", "Etinestryl", "Feminone", "Follicoral", "Lynoral"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1018", "category": ["biolink:ChemicalEntity"], "name": "DIENESTROL", "xref": ["InChIKey:NFDFQCUYFHCNBW-SCGPFSFSSA-N", "SMILES:C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1"], "synonym": ["Dienestrol", "Dienestrol", "Dienestrol", "Dienestrol", "Dienestrol trans-form", ".alpha.-dienestrol diacetate", "Cycladiene", "Dehydrostilbestrol", "Dienestrol diacetate, .alpha.-", "Dienestrol, .alpha.-", "Dienoestrol", "Dienol", "Dinovex", "Estragard", "Estroral", "Follidiene", "Gynefollin", "Oestrasid", "Oestrodiene", "Oestroral", "Restrol", "Retalon", "NSC-59809", "Dienestrol", "Dv", "Estraguard", "Hormofemin", "Synestrol"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200973", "category": ["biolink:ChemicalEntity"], "name": "ESTRADIOL CYPIONATE", "xref": ["InChIKey:UOACKFBJUYNSLK-XRKIENNPSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1"], "synonym": ["Estradiol cypionate", "Estradiol 17.beta.-cyclopentanepropanoate", "Estradiol cipionate", "Estradiol cypionate", "NSC-3354", "Depo", "Depo-estradiol", "Estradiol cypionate", "Estradiol cypionate component of depo-testadiol", "Estradiol cypionate component of lunelle"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200980", "category": ["biolink:ChemicalEntity"], "name": "ESTROPIPATE", "xref": ["InChIKey:HZEQBCVBILBTEP-ZFINNJDLSA-N", "SMILES:C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O"], "synonym": ["Estropipate", "Estropipate", "Estrone sulfate piperazine salt", "Estrone sulfate piperazine salt", "Piperazine estrone sulphate", "Sulestrex piperazine", "NSC-758912", "Estropipate", "Harmogen", "Ogen", "Ogen .625", "Ogen 1.25", "Ogen 2.5", "Ogen 5", "Ortho-est"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201151", "category": ["biolink:ChemicalEntity"], "name": "MESTRANOL", "xref": ["InChIKey:IMSSROKUHAOUJS-MJCUULBUSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C"], "synonym": ["Mestranol", "Mestranol", "Mestranol", "Mestranol", "33355", "EE-3ME", "EE3 ME", "EE3-ME", "EE3ME", "EEI3ME", "NSC-84032", "Mestranol component of enovid", "Mestranol component of norinyl", "Mestranol component of ovulen", "Mestranol", "Mestranol"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL411", "category": ["biolink:ChemicalEntity"], "name": "DIETHYLSTILBESTROL", "xref": ["InChIKey:RGLYKWWBQGJZGM-ISLYRVAYSA-N", "SMILES:CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1"], "synonym": ["Diethylstilbestrol", "Diethylstilbestrol", "Diethylstilbestrol", "Diethylstilbestrol", "Dietilestilbestrol", "Diethylstilbestrol", "Diethylstilbestrol", "Stilbestro", "NSC-3070", "Apstil", "Diethylstilbestrol", "Distilbene", "Stilbestrol", "Stilbetin", "Stilboesterol", "Tampovagan"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200749", "category": ["biolink:ChemicalEntity"], "name": "LEVOBUPIVACAINE HYDROCHLORIDE", "xref": ["InChIKey:SIEYLFHKZGLBNX-NTISSMGPSA-N", "SMILES:CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl"], "synonym": ["Levobupivacaine hydrochloride", "Levobupivacaine hydrochloride", "Levobupivacaine hydrochloride", "Bupivacaine (-)-form hydrochloride", "Levobupivacaine hcl", "Levobupivacaine hydrochloride", "CHIROCAINE", "Chirocaine", "Levobupivac", "Levobupivacaine hydrochloride"], "chembl_availability_type": "discontinued"}
{"name": "Sodium channel protein type 4 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL2072"], "id": "UniProtKB:P35499", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098", "category": ["biolink:ChemicalEntity"], "name": "BUPIVACAINE", "xref": ["InChIKey:LEBVLXFERQHONN-UHFFFAOYSA-N", "SMILES:CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C"], "synonym": ["Bupivacaine", "Bupivacaine", "Bupivacaine", "Bupivacaine", "Bupivacaine", "Bupivacaina", "Bupivacaine", "Bucaine", "Bupivacaine", "Bupivacaine liposome", "Liposomal bupivacaine", "BR-003", "LIQ-865", "LIQ865", "SKY-0402", "SKY0402", "Anekain", "Bupivacaine component of zynrelef", "Exparel", "Exparel liposomal", "Posimir", "Bupivacaine", "Ropivacaine hydrochloride impurity, bupivacaine-"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200396", "category": ["biolink:ChemicalEntity"], "name": "BUPIVACAINE HYDROCHLORIDE", "xref": ["InChIKey:SIEYLFHKZGLBNX-UHFFFAOYSA-N", "SMILES:CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl"], "synonym": ["Bupivacaine hydrochloride", "Bupivacaine hydrochloride", "Bupivacaine hydrochloride", "Bupivacaine hydrochloride hydrate", "Bupivacaine hydrochloride", "Bupivacaine hydrochloride monohydrate", "Bupivacaine hcl", "Bupivacaine hydrochloride", "Bupivacaine hydrochloride hydrate", "Bupivacaine hydrochloride monohydrate", "Bupivacaini hydrochloridum", "Carbostesin", "Xaracoll", "AH-2250", "LAC-43", "NSC-758631", "WIN 11,318", "WIN-11318", "Bupivac hcl", "Bupivacaine hydrochloride", "Bupivacaine hydrochloride component of duocaine", "Bupivacaine hydrochloride component of sensorcaine", "Bupivacaine hydrochloride kit", "Bupivacaine hydrochloride preservative free", "Marcain", "Marcaine", "Marcaine hydrochloride", "Marcaine hydrochloride preservative free", "Sensorcaine", "Xaracoll", "Bupivacaine hydrochloride", "Bupivacaine hydrochloride", "Bupivacaine hydrochloride rs"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1561", "category": ["biolink:ChemicalEntity"], "name": "MIGLITOL", "xref": ["InChIKey:IBAQFPQHRJAVAV-ULAWRXDQSA-N", "SMILES:OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"], "synonym": ["Miglitol", "Miglitol", "Miglitol", "Miglitol", "Miglitol", "Miglitol", "Miglitol", "Miglitol", "BAY M 1099", "BAY-M-1099", "NSC-758702", "Diastabol", "Glyset", "Miglitol", "Miglitol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Maltase-glucoamylase", "xref": ["CHEMBL.TARGET:CHEMBL2074"], "id": "UniProtKB:O43451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201483", "category": ["biolink:ChemicalEntity"], "name": "PSEUDOEPHEDRINE POLISTIREX", "synonym": ["Pseudoephedrine polistirex", "Pseudo-12", "Pseudoephedrine polistirex"], "chembl_availability_type": "discontinued"}
{"name": "Sodium-dependent noradrenaline transporter", "xref": ["CHEMBL.TARGET:CHEMBL222"], "id": "UniProtKB:P23975", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110368", "category": ["biolink:ChemicalEntity"], "name": "BETHANIDINE SULFATE", "xref": ["InChIKey:YTIJUXVIZLYQTB-UHFFFAOYSA-N", "SMILES:C/N=C(\\NC)NCc1ccccc1.C/N=C(\\NC)NCc1ccccc1.O=S(=O)(O)O"], "synonym": ["Betanidine sulfate", "Bethanidine sulfate", "Betanidine sulfate", "Betanidine sulphate", "Bethanidine sulfate", "Bethanidine sulphate", "BW-467-C-60", "NSC-106563", "Bendogen", "Esbatal", "Tenathan", "Bethanidine sulfate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237135", "category": ["biolink:ChemicalEntity"], "name": "MAPROTILINE HYDROCHLORIDE", "xref": ["InChIKey:NZDMFGKECODQRY-UHFFFAOYSA-N", "SMILES:CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl"], "synonym": ["Maprotiline hydrochloride", "Maprotiline hydrochloride", "Maprotiline hcl", "BA-34,276", "BA-34276", "BA-34276 HYDROCHLORIDE", "NSC-757085", "Ludiomil", "Maprotiline hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3184143", "category": ["biolink:ChemicalEntity"], "name": "GUANADREL SULFATE", "xref": ["InChIKey:RTEVGQJRTFFMLL-UHFFFAOYSA-N", "SMILES:N=C(N)NCC1COC2(CCCCC2)O1.N=C(N)NCC1COC2(CCCCC2)O1.O=S(=O)(O)O"], "synonym": ["Guanadrel sulfate", "Guanadrel sulfate", "Guanadrel sulphate", "CL-1388R", "NSC-760062", "U-28,288D", "U-28288D", "Hylorel", "Guanadrel sulfate", "Guanadrel sulfate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1574", "category": ["biolink:ChemicalEntity"], "name": "PHENTERMINE", "xref": ["InChIKey:DHHVAGZRUROJKS-UHFFFAOYSA-N", "SMILES:CC(C)(N)Cc1ccccc1"], "synonym": ["Phentermine", "Phentermine", "Phentermine", "Phentermine resin complex", "Phentermine", "Fentermina", "Phentermine", "Phentermine", "Phentermine resin", "Qsiva", "NSC-759163", "Duromine", "Ionamin", "Phentermine component of qsymia", "Phentermine resin 30", "Phentermine resin complex", "Phentermine"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1628234", "category": ["biolink:ChemicalEntity"], "name": "DOXEPIN HYDROCHLORIDE", "xref": ["InChIKey:MHNSPTUQQIYJOT-UHFFFAOYSA-N", "SMILES:CN(C)CCC=C1c2ccccc2COc2ccccc21.Cl"], "synonym": ["Doxepin hydrochloride", "Doxepin hydrochloride", "Doxepin hydrochloride", "Doxepin hydrochloride", "Doxepin hcl", "Doxepin hydrochloride", "NSC-108160", "P-3693A", "Doxepin hydrochloride", "Quitaxon", "Silenor", "Sinequan", "Xepin", "Zonalon", "Doxepin hydrochloride", "Doxepin hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1696", "category": ["biolink:ChemicalEntity"], "name": "DESIPRAMINE HYDROCHLORIDE", "xref": ["InChIKey:XAEWZDYWZHIUCT-UHFFFAOYSA-N", "SMILES:CNCCCN1c2ccccc2CCc2ccccc21.Cl"], "synonym": ["Desipramine hydrochloride", "Desipramine hydrochloride", "Desipramine hydrochloride", "Desipramine hydrochloride", "Desipramine hcl", "Desipramine hydrochloride", "18-8181", "DMI", "EX 4355", "EX-4355", "G-35020", "JB-8181", "NSC-114901", "RMI 9,384A", "RMI-9384A", "Desipramine hydrochloride", "Norpramin", "Pertofran", "Pertofrane", "Desipramine hydrochloride", "Desipramine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1095292", "category": ["biolink:ChemicalEntity"], "name": "BRETYLIUM TOSYLATE", "xref": ["InChIKey:KVWNWTZZBKCOPM-UHFFFAOYSA-M", "SMILES:CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)[O-])cc1"], "synonym": ["Bretylium tosilate", "Bretylium tosilate", "Bretylium tosilate", "Bretylium tosylate", "Bretylium tosilate", "Tosilate de bretylium", "Tosilato de bretilio", "Bretylium tosylate", "ASL-603", "NSC-62164", "Bretylium tosylate", "Bretylol", "Bretylium tosylate", "Bretylium tosylate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1345", "category": ["biolink:ChemicalEntity"], "name": "GUANETHIDINE MONOSULFATE", "xref": ["InChIKey:YUFWAVFNITUSHI-UHFFFAOYSA-N", "SMILES:N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O"], "synonym": ["Guanethidine monosulfate", "Guanethidine monosulfate", "Guanethidine monosulfate", "Guanethidine monosulphate", "Ganda", "Guanethidine monosulfate", "Guanethidine monosulfate component of esimil", "Ismelin", "Ismeline", "Lotens", "Guanethidine monosulfate", "Guanethidine monosulfate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1702", "category": ["biolink:ChemicalEntity"], "name": "ATOMOXETINE HYDROCHLORIDE", "xref": ["InChIKey:LUCXVPAZUDVVBT-UNTBIKODSA-N", "SMILES:CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl"], "synonym": ["Atomoxetine hydrochloride", "Atomoxetine hydrochloride", "Tomoxetine", "Atomoxetine hydrochloride", "Atomoxetine hydrochloride", "(r)-(-)-tomoxetine hydrochloride", "Atomoxetine (as hydrochloride)", "Atomoxetine hcl", "Atomoxetine hydrochloride", "Tomoxetine hydrochloride", "LY-139603", "NSC-759104", "Atomoxetine hydrochloride", "Strattera", "Atomoxetine hydrochloride", "Atomoxetine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200912", "category": ["biolink:ChemicalEntity"], "name": "PHENTERMINE HYDROCHLORIDE", "xref": ["InChIKey:NCAIGTHBQTXTLR-UHFFFAOYSA-N", "SMILES:CC(C)(N)Cc1ccccc1.Cl"], "synonym": ["Phentermine hydrochloride", "Phentermine hydrochloride", "Phentermine hcl", "Phentermine hydrochloride", "Zantryl", "NSC-44090", "Adipex-p", "Fastin", "Lomaira", "Obestin-30", "Oby-trim", "Ona-mast", "Phentermine hydrochloride", "Phentermine hydrochloride component of qsymia", "Suprenza", "Tora", "Wilpo", "Phentermine hydrochloride civ"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544906", "category": ["biolink:ChemicalEntity"], "name": "BENZPHETAMINE HYDROCHLORIDE", "xref": ["InChIKey:ANFSNXAXVLRZCG-RSAXXLAASA-N", "SMILES:C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1.Cl"], "synonym": ["Benzphetamine hydrochloride", "Benzfetamine hydrochloride", "Benzphetamine hcl", "Benzphetamine hydrochloride ciii", "NSC-10937", "U-0441", "Benzphetamine hydrochloride", "Didrex"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989855", "category": ["biolink:ChemicalEntity"], "name": "PSEUDOEPHEDRINE SULFATE", "xref": ["InChIKey:CAVQBDOACNULDN-NRCOEFLKSA-N", "SMILES:CN[C@@H](C)[C@@H](O)c1ccccc1.CN[C@@H](C)[C@@H](O)c1ccccc1.O=S(=O)(O)O"], "synonym": ["Pseudoephedrine sulfate", "Pseudoephedrine sulfate", "D-pseudoephedrine sulfate", "Pseudoephedrine sulfate", "Pseudoephedrine sulphate", "SCH 4855", "SCH-4855", "Afrinol", "Pseudoephedrine sulfate component of brompheril", "Pseudoephedrine sulfate component of clarinex-d", "Pseudoephedrine sulfate component of claritin-d", "Pseudoephedrine sulfate component of disobrom", "Pseudoephedrine sulfate component of disophrol", "Pseudoephedrine sulfate component of drixoral", "Pseudoephedrine sulfate component of drixoral plus", "Pseudoephedrine sulfate component of resporal", "Pseudoephedrine sulfate component of trinalin", "Pseudoephedrine sulfate", "Pseudoephedrine sulfate"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200724", "category": ["biolink:ChemicalEntity"], "name": "PSEUDOEPHEDRINE HYDROCHLORIDE", "xref": ["InChIKey:BALXUFOVQVENIU-KXNXZCPBSA-N", "SMILES:CN[C@@H](C)[C@@H](O)c1ccccc1.Cl"], "synonym": ["Pseudoephedrine hydrochloride", "Pseudoephedrine hydrochloride", "Pseudoephedrine hydrochloride", "Efidac 24", "Galsud", "Otrinol", "Pseudoephedrine hcl", "Pseudoephedrine hydrochloride", "Rhinalair", "NSC-106567", "NSC-33634", "Actifed", "Contac", "Dimotane plus", "Dimotane plus l.a.", "Galpseud", "Galpseud plus", "Novafed", "Otrivine mu-cron", "Pseudoephedrine hydrochloride", "Pseudoephedrine hydrochloride component of actahist", "Pseudoephedrine hydrochloride component of actifed", "Pseudoephedrine hydrochloride component of advil allergy sinus", "Pseudoephedrine hydrochloride component of aleve-d", "Pseudoephedrine hydrochloride component of allegra-d", "Pseudoephedrine hydrochloride component of allerfed", "Pseudoephedrine hydrochloride component of benylin", "Pseudoephedrine hydrochloride component of bromanate dm", "Pseudoephedrine hydrochloride component of bromfed-dm", "Pseudoephedrine hydrochloride component of children's advil cold", "Pseudoephedrine hydrochloride component of children's motrin cold", "Pseudoephedrine hydrochloride component of codimal-l.a. 12", "Pseudoephedrine hydrochloride component of corphed", "Pseudoephedrine hydrochloride component of dimetane-dx", "Pseudoephedrine hydrochloride component of histafed", "Pseudoephedrine hydrochloride component of hycofenix", "Pseudoephedrine hydrochloride component of isoclor", "Pseudoephedrine hydrochloride component of mucinex d", "Pseudoephedrine hydrochloride component of myfed", "Pseudoephedrine hydrochloride component of rezira", "Pseudoephedrine hydrochloride component of semprex-d", "Pseudoephedrine hydrochloride component of sine-aid ib", "Pseudoephedrine hydrochloride component of triacin-c", "Pseudoephedrine hydrochloride component of trilitron", "Pseudoephedrine hydrochloride component of triphed", "Pseudoephedrine hydrochloride component of zutripro", "Pseudoephedrine hydrochloride component of zyrtec-d", "Pseudophed", "Sinutab", "Sudafed", "Sudafed 12 hour", "Sudafed 12 hr decongest", "Sudafed 24 hour", "Sudafed plus", "Sudafed-sa", "Pseudoephedrine hydrochloride", "Pseudoephedrine hydrochloride"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL18442", "category": ["biolink:ChemicalEntity"], "name": "PLERIXAFOR", "xref": ["InChIKey:YIQPUIGJQJDJOS-UHFFFAOYSA-N", "SMILES:c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1"], "synonym": ["Plerixafor", "Plerixafor", "Plerixafor", "Plerixafor", "Plerixafor", "Plerixafor", "Plerixafor", "Plerixafor octahydrochloride", "Plerixafor", "Plerixafor hydrochloride", "Plerixafor octahydrochloride", "AMD 3100", "AMD3100", "JM 3100", "SID 791", "Mozobil", "Plerixafor accord", "Plerixafor"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "C-X-C chemokine receptor type 4", "xref": ["CHEMBL.TARGET:CHEMBL2107"], "id": "UniProtKB:P61073", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109065", "category": ["biolink:ChemicalEntity"], "name": "DROTRECOGIN ALFA (ACTIVATED)", "synonym": ["Drotrecogin alfa (activated)", "Drotrecogin alfa (activated)", "Drotrecogin alfa", "Drotrecogin alfa (activated)", "Drotrecogin alfa (activated)", "Drotrecogin alfa (activated)", "Drotrecogine alfa (active)", "Drotrecogina alfa (activada)", "Drotrecogin alfa", "Activated protein c", "Drotrecogin alfa", "Drotrecogin alfa (activated)", "Drotrecogin alfa activated", "Drotrecogin alfa, activated", "Drotrecogin-alfa", "LY-203638", "LY203638", "Xigris", "Drotrecogin alfa (activated)"], "chembl_availability_type": "prescription only"}
{"name": "Coagulation factor VIII", "xref": ["CHEMBL.TARGET:CHEMBL3143"], "id": "UniProtKB:P00451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028852", "category": ["biolink:ChemicalEntity"], "name": "ICATIBANT ACETATE", "xref": ["InChIKey:HKMZRZUEADSZDQ-DZJWSCHMSA-N", "SMILES:CC(=O)O.N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C[C@@H]2CCCC[C@@H]21"], "synonym": ["Icatibant acetate", "Icatibant acetate", "Icatibant acetate", "Icatibant acetate", "Icatibant acetate", "HOE 140", "HOE-140", "Firazyr", "Icatibant accord", "Icatibant acetate"], "chembl_availability_type": "prescription only"}
{"name": "B2 bradykinin receptor", "xref": ["CHEMBL.TARGET:CHEMBL3157"], "id": "UniProtKB:P30411", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase HCK", "xref": ["CHEMBL.TARGET:CHEMBL3234"], "id": "UniProtKB:P08631", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carbonic anhydrase 12", "xref": ["CHEMBL.TARGET:CHEMBL3242"], "id": "UniProtKB:O43570", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysosomal alpha-glucosidase", "xref": ["CHEMBL.TARGET:CHEMBL2608"], "id": "UniProtKB:P10253", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fibroblast growth factor receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL2742"], "id": "UniProtKB:P22607", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1372", "category": ["biolink:ChemicalEntity"], "name": "OXIGLUTATIONE", "xref": ["InChIKey:YPZRWBKMTBYPTK-BJDJZHNGSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O"], "synonym": ["Glutathione disulfide", "Oxiglutatione", "Oxiglutatione", "Oxiglutationa", "Oxiglutatione", "Glutathione disulfide", "Oxiglutatione", "Oxiglutatione component of navstel"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Glutathione reductase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2755"], "id": "UniProtKB:P00390", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513", "category": ["biolink:ChemicalEntity"], "name": "CARMUSTINE", "xref": ["InChIKey:DLGOEMSEDOSKAD-UHFFFAOYSA-N", "SMILES:O=NN(CCCl)C(=O)NCCCl"], "synonym": ["Carmustine", "Carmustine", "Carmustine", "Carmustine", "Carmustine", "Carmustine", "Carmustina", "Carmustine", "Carmustine", "Becenun", "Bischloroethyl nitrosourea", "Camustine", "Carmubris", "Carmustine", "BCNU", "DTI-015", "FDA-0345", "NSC-409962", "SK-27702", "SRI-1720", "Bicnu", "Carmustine medac (previously carmustine obvius)", "Carmustine obvius", "Gliadel", "Carmustine", "Carmustine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1795071", "category": ["biolink:ChemicalEntity"], "name": "RUXOLITINIB PHOSPHATE", "xref": ["InChIKey:JFMWPOCYMYGEDM-XFULWGLBSA-N", "SMILES:N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1.O=P(O)(O)O"], "synonym": ["Ruxolitinib (as phosphate)", "Ruxolitinib phosphate", "Ruxolitinib phosphate", "Ruxolitinib phosphate", "Ruxolitinib phosphate", "Opzelura", "Ruxolitinib (as phosphate)", "Ruxolitinib monophosphate", "Ruxolitinib phosphate", "INCB-018424 PHOSPHATE", "INCB-018424 SALT", "INCB-18424 PHOSPHATE", "INCB018424 PHOSPHATE", "INCB018424 SALT", "Jakafi", "Jakavi", "Opzelura", "Ruxolitinib phosphate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Tyrosine-protein kinase JAK1", "xref": ["CHEMBL.TARGET:CHEMBL2835"], "id": "UniProtKB:P23458", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105741", "category": ["biolink:ChemicalEntity"], "name": "TRAMETINIB DIMETHYL SULFOXIDE", "xref": ["InChIKey:OQUFJVRYDFIQBW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1.C[S+](C)[O-]"], "synonym": ["Trametinib dimethyl sulfoxide", "Trametinib dimethyl sulfoxide", "Trametinib dimethyl sulfoxide", "Trametinib dimethyl sulfoxide", "GSK-1120212B", "GSK1120212B", "Mekinist", "Spexotras", "Trametinib dimethyl sulfoxide"], "chembl_availability_type": "prescription only"}
{"name": "Dual specificity mitogen-activated protein kinase kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL2964"], "id": "UniProtKB:P36507", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase JAK2", "xref": ["CHEMBL.TARGET:CHEMBL2971"], "id": "UniProtKB:O60674", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201775", "category": ["biolink:ChemicalEntity"], "name": "SAPROPTERIN DIHYDROCHLORIDE", "xref": ["InChIKey:RKSUYBCOVNCALL-NTVURLEBSA-N", "SMILES:C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1.Cl.Cl"], "synonym": ["Sapropterin dihydrochloride", "Sapropterin dihydrochloride", "Sapropterin hydrochloride", "Sapropterin dihydrochloride", "Biopten", "Dapropterin hydrochloride", "Phenoptin", "Sapropterin dihydrochloride", "Sapropterin hydrochloride", "SUN-0588", "SUN-0588 (SHIRATORI)", "T-1401", "T1401", "T1401 (BIOMARIN)", "Kuvan", "Sapropterin dipharma", "Sapropterin dihydrochloride"], "chembl_availability_type": "prescription only"}
{"name": "Phenylalanine-4-hydroxylase", "xref": ["CHEMBL.TARGET:CHEMBL3076"], "id": "UniProtKB:P00439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2095222", "category": ["biolink:ChemicalEntity"], "name": "OCRIPLASMIN", "synonym": ["Ocriplasmin", "Ocriplasmin", "Ocriplasmin", "Ocriplasmin", "Ocriplasmine", "Ocriplasmina", "Ocriplasmin", "Jetrea", "Microplasmin (synthetic human)", "Ocriplasmin", "Plasmin, micro- (synthetic human)", "Recombinant human microplasmin", "MICROPLASMIN", "Jetrea", "Ocriplasmin"], "chembl_availability_type": "prescription only"}
{"name": "Fibronectin", "xref": ["CHEMBL.TARGET:CHEMBL3810"], "id": "UniProtKB:P02751", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594217", "category": ["biolink:ChemicalEntity"], "name": "CANAGLIFLOZIN", "xref": ["InChIKey:RCCZPUWDQVUJAB-FVYJGOGTSA-N", "SMILES:Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1.O"], "synonym": ["Canagliflozin", "Canagliflozin", "Canagliflozin", "Canagliflozin", "Canagliflozin", "Canagliflozine", "Canagliflozina", "Canagliflozin hydrate", "Canagliflozin", "Canagliflozin hemihydrate", "Canagliflozin", "Canagliflozin hemihydrate", "Canagliflozin hydrate", "JNJ-24831754-ZAE", "JNJ-28431754-AAA", "Canagliflozin component of invokamet", "Invokana", "Canagliflozin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Sodium/glucose cotransporter 2", "xref": ["CHEMBL.TARGET:CHEMBL3884"], "id": "UniProtKB:P31639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase Lyn", "xref": ["CHEMBL.TARGET:CHEMBL3905"], "id": "UniProtKB:P07948", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067980", "category": ["biolink:ChemicalEntity"], "name": "SUCRALFATE", "synonym": ["Sucralfate", "Sucralfate", "Sucralfate", "Sucralfate", "Sucralfate", "Sucralfato", "Sucralfate", "Sucralfate hydrate", "Aluminum sucrose octasulfate", "Citogel", "Hexagastron", "Succosa", "Sucralfate", "Sucralfate hydrate", "Sucralfin", "Sucrate", "Sugast", "Sulcrate", "Ulcar", "Ulcermin", "Ulcogant", "Ulsanic", "Urbal", "Venter", "Antepsin", "Carafate", "Keal", "Sucralfate", "Sucralfate", "Sucralfate"], "chembl_availability_type": "prescription only"}
{"name": "Pepsin A", "synonym": ["Pepsin A-5"], "xref": ["CHEMBL.TARGET:CHEMBL3295"], "id": "UniProtKB:P0DJD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256087", "category": ["biolink:ChemicalEntity"], "name": "MENTHOL", "xref": ["InChIKey:NOOLISFMXDJSKH-UHFFFAOYSA-N", "SMILES:CC1CCC(C(C)C)C(O)C1"], "synonym": ["Menthol", "Menthol", "Racementhol", "Racementol", "Menthol racemate", "Dl-menthol", "Meggezone", "Menthol", "Menthol, cis-1,3,trans-1,4-", "Menthol, dl-", "Rac-menthol", "FEMA NO. 2665", "NSC-2603", "Aqua-cool", "Aquasoothe", "Arjun", "Catarrh", "Dermacool", "Halls", "Karvol", "Lockets", "Meggezones", "Menthol component of salonpas", "Muirs", "Tixylix decongestant inh", "Vocalzone"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"name": "Transient receptor potential cation channel subfamily M member 8", "xref": ["CHEMBL.TARGET:CHEMBL1075319"], "id": "UniProtKB:Q7Z2W7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL3377"], "id": "UniProtKB:P03474", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:518987"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204656", "category": ["biolink:ChemicalEntity"], "name": "ELVITEGRAVIR", "xref": ["InChIKey:JUZYLCPPVHEVSV-LJQANCHMSA-N", "SMILES:COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C"], "synonym": ["Elvitegravir", "Elvitegravir", "Elvitegravir", "Elvitegravir", "Elvitegravir", "Elvitegravir", "Elvitegravir", "GS-9137", "JTK-303", "Elvitegravir component of genvoya", "Elvitegravir component of stribild", "Elvitegravir component of vitekta", "Vitekta", "Elvitegravir"], "chembl_availability_type": "prescription only"}
{"name": "Human immunodeficiency virus type 1 integrase", "synonym": ["Gag-Pol polyprotein"], "xref": ["CHEMBL.TARGET:CHEMBL3471"], "id": "UniProtKB:Q7ZJM1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518520", "category": ["biolink:ChemicalEntity"], "name": "RALTEGRAVIR POTASSIUM", "xref": ["InChIKey:IFUKBHBISRAZTF-UHFFFAOYSA-M", "SMILES:Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n2C)o1.[K+]"], "synonym": ["Raltegravir potassium", "Raltegravir potassium", "Raltegravir potassium", "Raltegravir monopotassium salt", "Raltegravir potassium", "Raltegravir potassium salt", "L-000900612 POTASSIUM SALT", "L000900612 POTASSIUM SALT", "MK-0518", "MK-0518 POTASSIUM", "MK0518 POTASSIUM", "Isentress", "Isentress hd", "Raltegravir potassium component of dutrebis", "Raltegravir potassium", "Raltegravir potassium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL271227", "category": ["biolink:ChemicalEntity"], "name": "ABIRATERONE ACETATE", "xref": ["InChIKey:UVIQSJCZCSLXRZ-UBUQANBQSA-N", "SMILES:CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1"], "synonym": ["Abiraterone acetate", "Abiraterone acetate", "Abiraterone acetate", "Abiraterone acetate", "Abiraterone acetate", "CB-7630", "CB7630", "NSC-748121", "NSC-749227", "Abiraterone accord", "Abiraterone acetate component of akeega", "Abiraterone krka", "Abiraterone mylan", "Yonsa", "Zytiga", "Abiraterone acetate", "Abiraterone acetate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Steroid 17-alpha-hydroxylase/17,20 lyase", "xref": ["CHEMBL.TARGET:CHEMBL3522"], "id": "UniProtKB:P05093", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity mitogen-activated protein kinase kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3587"], "id": "UniProtKB:Q02750", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coagulation factor V", "xref": ["CHEMBL.TARGET:CHEMBL3618"], "id": "UniProtKB:P12259", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fibroblast growth factor receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3650"], "id": "UniProtKB:P11362", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200907", "category": ["biolink:ChemicalEntity"], "name": "TRILOSTANE", "xref": ["InChIKey:KVJXBPDAXMEYOA-CXANFOAXSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O"], "synonym": ["Trilostane", "Trilostane", "Trilostane", "Trilostane", "Trilostane", "Trilostane", "Trilostano", "Trilostane", "Trilostane", "Desopan", "Trilostane", "NSC-758904", "WIN 24,540", "WIN-24540", "Modrastane", "Modrenal", "Trilocur", "Trilorale", "Trilostane"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2", "xref": ["CHEMBL.TARGET:CHEMBL3670"], "id": "UniProtKB:P26439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL606", "category": ["biolink:ChemicalEntity"], "name": "MISOPROSTOL", "xref": ["InChIKey:OJLOPKGSLYJEMD-URPKTTJQSA-N", "SMILES:CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC"], "synonym": ["Misoprostol", "Misoprostol", "Misoprostol", "Misoprostol", "Misoprostol", "Misoprostol", "Misoprostol", "Misoprostol", "SC-29333", "Cytotec", "Misoprostol", "Misoprostol component of arthrotec", "Mysodelle", "Topogyne", "Misoprostol", "Misoprostol"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Prostaglandin E2 receptor EP3 subtype", "xref": ["CHEMBL.TARGET:CHEMBL3710"], "id": "UniProtKB:P43115", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hepatocyte growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL3717"], "id": "UniProtKB:P08581", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601719", "category": ["biolink:ChemicalEntity"], "name": "CRIZOTINIB", "xref": ["InChIKey:KTEIFNKAUNYNJU-GFCCVEGCSA-N", "SMILES:C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"], "synonym": ["Crizotinib", "Crizotinib", "Crizotinib", "Crizotinib", "Crizotinib", "Crizotinib", "Crizotinib", "Pf-2341066", "NSC-756645", "PF-02341066", "Xalkori", "Crizotinib"], "chembl_availability_type": "prescription only"}
{"name": "Carbonic anhydrase 4", "xref": ["CHEMBL.TARGET:CHEMBL3729"], "id": "UniProtKB:P22748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2095212", "category": ["biolink:ChemicalEntity"], "name": "MIRABEGRON", "xref": ["InChIKey:PBAPPPCECJKMCM-IBGZPJMESA-N", "SMILES:Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1"], "synonym": ["Mirabegron", "Mirabegron", "Mirabegron", "Mirabegron", "Mirabegron", "Mirabegron", "Mirabegron", "Betanis", "Mirabegron", "YM-178", "YM178", "Betmiga", "Myrbetriq", "Myrbetriq granules", "Mirabegron"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Beta-3 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL246"], "id": "UniProtKB:P13945", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase 11", "xref": ["CHEMBL.TARGET:CHEMBL3961"], "id": "UniProtKB:Q15759", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Trifunctional purine biosynthetic protein adenosine-3", "xref": ["CHEMBL.TARGET:CHEMBL3972"], "id": "UniProtKB:P22102", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108184", "category": ["biolink:ChemicalEntity"], "name": "CROFELEMER", "synonym": ["Crofelemer", "Crofelemer", "Crofelemer", "Crofelemer", "NP-303", "SP-303", "TRN-002", "Fulyzaq", "Mytesi", "Provir", "Virend", "Crofelemer"], "chembl_availability_type": "prescription only"}
{"name": "Cystic fibrosis transmembrane conductance regulator", "xref": ["CHEMBL.TARGET:CHEMBL4051"], "id": "UniProtKB:P13569", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2010601", "category": ["biolink:ChemicalEntity"], "name": "IVACAFTOR", "xref": ["InChIKey:PURKAOJPTOLRMP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O"], "synonym": ["Ivacaftor", "Ivacaftor", "Ivacaftor", "Ivacaftor", "Ivacaftor", "Ivacaftor", "Ivacaftor", "VX-770", "Ivacaftor component of orkambi", "Ivacaftor component of symkevi", "Ivacaftor component of trikafta", "Kalydeco", "Ivacaftor"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200699", "category": ["biolink:ChemicalEntity"], "name": "DOXYCYCLINE", "xref": ["InChIKey:XQTWDDCIUJNLTR-CVHRZJFOSA-N", "SMILES:C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.O"], "synonym": ["Doxycycline", "Doxycycline", "Doxycycline monohydrate", "Doxycycline", "Doxycycline", "Doxycycline", "Doxiciclina", "Doxycycline", "Doxirobe", "Doxycycline", "Doxycycline monohydrate", "Doxylin", "Supracyclin", "Xyrosa", "GS-3065", "Doxirobe", "Doxychel", "Doxycycline", "Monodox", "Oracea", "Vibramycin", "Doxycycline", "Doxycycline", "Doxycycline monohydrate"], "chembl_availability_type": "prescription only"}
{"name": "Matrilysin", "xref": ["CHEMBL.TARGET:CHEMBL4073"], "id": "UniProtKB:P09237", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364574", "category": ["biolink:ChemicalEntity"], "name": "DOXYCYCLINE CALCIUM", "xref": ["InChIKey:GJPGCACMCURAKH-YQCFNCLSSA-L", "SMILES:C[C@H]1c2cccc([O-])c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.C[C@H]1c2cccc([O-])c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.[Ca+2]"], "synonym": ["Doxycycline calcium", "Doxycycline calcium", "Vibramycin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989740", "category": ["biolink:ChemicalEntity"], "name": "DOXYCYCLINE HYCLATE", "xref": ["InChIKey:HALQELOKLVRWRI-VDBOFHIQSA-N", "SMILES:CCO.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl.Cl.O"], "synonym": ["Doxycycline hyclate", "Doxycycline hyclate", "Doxycycline hydrochloride hydrate", "Doxycycline hydrochloride hemiethanolate hemihydrate", "Azudoxat", "Clinofug", "Diocimex", "Doxicrisol", "Doxycycline hyclate", "Doxycyclini hyclas", "Doxyprex", "Duradoxal", "Granudoxy", "Mespafin", "Monodoks", "Retens", "Ronaxan", "Spanor", "Tetraclean", "Tetradox", "Unacil", "Vibraveineuse", "Vibravenos", "Zadorin", "NSC-741421", "Acticlate", "Acticlate cap", "Atridox", "Cyclodox", "Demix 100", "Demix 50", "Doryx", "Doryx mpc", "Doxatet", "Doxy", "Doxy 100", "Doxy 200", "Doxy-lemmon", "Doxychel hyclate", "Doxycycline hyclate", "Doxylar", "Lymepak", "Nordox", "Periostat", "Ramysis", "Vibra-tabs", "Vibramycin", "Vibramycin 50", "Vibramycin acne pack", "Vibramycin-d", "Vibrox"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201821", "category": ["biolink:ChemicalEntity"], "name": "PALIFERMIN", "synonym": ["Palifermin", "Palifermin", "Palifermin", "Palifermin", "Palifermin", "Palifermine", "Palifermina", "Palifermin", "Palifermin", "Kepivance", "Palifermin"], "chembl_availability_type": "prescription only"}
{"name": "Fibroblast growth factor receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4142"], "id": "UniProtKB:P21802", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase FRK", "xref": ["CHEMBL.TARGET:CHEMBL4223"], "id": "UniProtKB:P42685", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ALK tyrosine kinase receptor", "xref": ["CHEMBL.TARGET:CHEMBL4247"], "id": "UniProtKB:Q9UM73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1371", "category": ["biolink:ChemicalEntity"], "name": "CHLORZOXAZONE", "xref": ["InChIKey:TZFWDZFKRBELIQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(Cl)ccc2o1"], "synonym": ["Chlorzoxazone", "Chlorzoxazone", "Chlorzoxazone", "Chlorzoxazone", "Clorzoxazona", "Chlorzoxazone", "Chlorzoxazone", "NSC-26189", "Chlorzoxazone", "Paraflex", "Parafon", "Parafon forte dsc", "Parafon-forte", "Strifon", "Strifon forte dsc"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Intermediate conductance calcium-activated potassium channel protein 4", "xref": ["CHEMBL.TARGET:CHEMBL4305"], "id": "UniProtKB:O15554", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1463", "category": ["biolink:ChemicalEntity"], "name": "FLUCYTOSINE", "xref": ["InChIKey:XRECTZIEBJDKEO-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)[nH]cc1F"], "synonym": ["Flucytosine", "Flucytosine", "Flucytosine", "Flucytosine", "Flucytosine", "Flucitosina", "Flucytosine", "Flucytosine", "Flucytosine", "Flucytosinum", "NSC-103805", "RO 2-9915", "RO-2-9915", "RO-29915", "Alcobon", "Ancoban", "Ancobon", "Ancotil", "Flourocytosine", "Flucytosine", "Fluorocytosine", "Flucytosine", "Flucytosine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL4665"], "id": "UniProtKB:P0CS13", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:283643"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795072", "category": ["biolink:ChemicalEntity"], "name": "ZICONOTIDE ACETATE", "synonym": ["Ziconotide acetate", "Ziconotide acetate", "Ziconotide acetate", "SNX-111 ACETATE", "Prialt"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Voltage-dependent N-type calcium channel subunit alpha-1B", "xref": ["CHEMBL.TARGET:CHEMBL4478"], "id": "UniProtKB:Q00975", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neutrophil collagenase", "xref": ["CHEMBL.TARGET:CHEMBL4588"], "id": "UniProtKB:P22894", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagenase 3", "xref": ["CHEMBL.TARGET:CHEMBL280"], "id": "UniProtKB:P45452", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein-tyrosine kinase 6", "xref": ["CHEMBL.TARGET:CHEMBL4601"], "id": "UniProtKB:Q13882", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-sensitive inward rectifier potassium channel 8", "xref": ["CHEMBL.TARGET:CHEMBL4770"], "id": "UniProtKB:Q15842", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL294199", "category": ["biolink:ChemicalEntity"], "name": "CAPSAICIN", "xref": ["InChIKey:YKPUWZUDDOIDPM-SOFGYWHQSA-N", "SMILES:COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O"], "synonym": ["Capsaicin", "Capsaicin", "Capsaicin", "Capsaicin", "Capsaicin", "Capsaicine", "Capsaicina", "Capsaicin", "Capsaicin", "Ausanil", "Axsain", "Capsaicin", "Capzasin-hp", "Cntx-4975", "Dolenon", "Mioton", "Ngx-1998", "Ovocap", "Ratden pe 40", "Togarashi orenji", "Trans-capsaicin", "ALGRX 4975", "ALGRX-4975", "FEMA NO. 3404", "NGX-1998", "NGX-4010", "NSC-56353", "Qutenza", "Zacin", "Zostrix", "Zostrix hp", "Capsaicin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Transient receptor potential cation channel subfamily V member 1", "xref": ["CHEMBL.TARGET:CHEMBL4794"], "id": "UniProtKB:Q8NER1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interstitial collagenase", "xref": ["CHEMBL.TARGET:CHEMBL332"], "id": "UniProtKB:P03956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Discoidin domain-containing receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5122"], "id": "UniProtKB:Q16832", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105729", "category": ["biolink:ChemicalEntity"], "name": "DABRAFENIB MESYLATE", "xref": ["InChIKey:YKGMKSIHIVVYKY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1.CS(=O)(=O)O"], "synonym": ["Dabrafenib mesilate", "Dabrafenib mesylate", "Dabrafenib mesylate", "Dabrafenib mesilate", "Dabrafenib mesylate", "Dabrafenib mesilate", "Dabrafenib mesylate", "GSK-2118436 METHANESULFONATE SALT", "GSK-2118436B", "GSK-2118436B MESYLATE", "GSK-2118436B METHANESULFONATE SALT", "GSK2118436B", "GSK2118436B, METHANE SULFONATE SALT", "METHANE SULFONATE SALT", "Finlee", "Tafinlar", "Dabrafenib mesylate"], "chembl_availability_type": "prescription only"}
{"name": "Serine/threonine-protein kinase B-raf", "xref": ["CHEMBL.TARGET:CHEMBL5145"], "id": "UniProtKB:P15056", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229517", "category": ["biolink:ChemicalEntity"], "name": "VEMURAFENIB", "xref": ["InChIKey:GPXBXXGIAQBQNI-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"], "synonym": ["Vemurafenib", "Vemurafenib", "Vemurafenib", "Vemurafenib", "Vemurafenib", "Vemurafenib", "Vemurafenib", "PLX-4032", "PLX4032", "RG 7204", "RG-7204", "RO 5185426", "RO-51-85426", "RO-5185426", "Zelboraf", "Vemurafenib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL535650", "category": ["biolink:ChemicalEntity"], "name": "MEFLOQUINE HYDROCHLORIDE", "xref": ["InChIKey:WESWYMRNZNDGBX-UHFFFAOYSA-N", "SMILES:Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1"], "synonym": ["Mefloquine hydrochloride", "Mefloquine hydrochloride", "Loriam", "Mefloquine hcl", "Mefloquine hydrochloride", "Mefloquini hydrochloridum", "NSC-157387", "RO 21-5998/001", "RO-21-5998", "RO-21-5998/001", "RO-215998001", "WR-142490", "Fansimef", "Lariam", "Mefloquine hydrochloride", "Mefloquine hydrochloride", "Mefloquine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL613897", "category": ["biolink:SmallMolecule"], "name": "Ferriprotoporphyrin IX"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200901", "category": ["biolink:ChemicalEntity"], "name": "HALOFANTRINE HYDROCHLORIDE", "xref": ["InChIKey:WANGFTDWOFGECH-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12.Cl"], "synonym": ["Halofantrine hydrochloride", "Halofantrine hydrochloride", "Halofantrine hcl", "Halofantrine hydrochloride", "SKF-102886", "WR-171669", "Halfan", "Halofantrine hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1357648", "category": ["biolink:ChemicalEntity"], "name": "AMODIAQUINE HYDROCHLORIDE", "xref": ["InChIKey:YVNAYSHNIILOJS-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O"], "synonym": ["Amodiaquine hydrochloride", "Amodiaquine dihydrochloride dihydrate", "Amodiaquine hcl", "Amodiaquine hydrochloride dihydrate", "Amodiaquini hydrochloridum", "NSC-755863", "Camoquin hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL58510", "category": ["biolink:ChemicalEntity"], "name": "CHLOROQUINE PHOSPHATE", "xref": ["InChIKey:QKICWELGRMTQCR-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O"], "synonym": ["Chloroquine phosphate", "Chloroquine phosphate", "Chloroquine diphosphate", "Arechin", "Chloroquine phosphate", "Chloroquini phosphas", "Malaquin", "Resochin", "NSC-14050", "SN-7618", "WR-1522", "Aralen", "Avloclor", "Chloroquine phosphate", "Malarivon"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL566534", "category": ["biolink:ChemicalEntity"], "name": "ARTEMETHER", "xref": ["InChIKey:SXYIRMFQILZOAM-HVNFFKDJSA-N", "SMILES:CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3"], "synonym": ["Artemether", "Artemether", "Artemether", "Artemether", "Artemetero", "Artemether", "Artemether", ".beta.-artemether", "Artemether", "Artemetherum", "Artesaph", "Falcidol", "Gvither", "Larither", "Malartem", "Paluther", "NSC-665970", "NSC-759820", "SM 224", "SM224", "Artemether component of coartem", "Artemetheri", "Artemether", "Artemether", "Dihydroartemisinin impurity g"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2359966", "category": ["biolink:ChemicalEntity"], "name": "QUININE SULFATE", "xref": ["InChIKey:ZHNFLHYOFXQIOW-LPYZJUEESA-N", "SMILES:C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O"], "synonym": ["Quinine sulfate", "Quinine sulfate", "Quinine sulfate hydrate", "Quinine sulfate anhydrous", "Quinine sulfate dihydrate", "Anhydrous quinine sulfate", "Chininum sulphuricum", "Gls 1200", "Gls-1200", "Quinamm", "Quinine hemisulfate anhydrous", "Quinine sulfate", "Quinine sulfate (2:1)", "Quinine sulfate hydrate", "Quinine sulphate", "Quinine, sulfate (2:1) (salt)", "FEMA NO. 2977", "GLS1200", "NSC-5362", "NSC-757298", "Qualaquin", "Quinate", "Quinine sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297165", "category": ["biolink:ChemicalEntity"], "name": "CHLOROQUINE HYDROCHLORIDE", "xref": ["InChIKey:PCFGECQRSMVKCC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Cl.Cl"], "synonym": ["Chloroquine hydrochloride", "Chloroquine hcl", "Chloroquine hydrochloride", "Aralen hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL38827", "category": ["biolink:ChemicalEntity"], "name": "LUMEFANTRINE", "xref": ["InChIKey:DYLGFOYVTXJFJP-MYYYXRDXSA-N", "SMILES:CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1"], "synonym": ["Lumefantrine", "Lumefantrine", "Lumefantrine", "Lumefantrina", "Lumefantrine", "Lumefantrine", "Benflumelol", "Benflumetol", "Dl-benflumelol", "Lumefantrine", "Lumefantrinum", "CPG-56695", "GNF-PF-1971", "Lumefantrine component of coartem", "Lumefantrine", "Lumefantrine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1690", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYCHLOROQUINE SULFATE", "xref": ["InChIKey:JCBIVZZPXRZKTI-UHFFFAOYSA-N", "SMILES:CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O"], "synonym": ["Hydroxychloroquine sulfate", "Hydroxychloroquine sulfate", "Hydroxychloroquine sulfate", "Ercoquin", "Hydroxychloroquine sulfate", "Hydroxychloroquine sulphate", "Oxiklorin", "Quensyl", "NSC-4375", "TCMDC-123987", "Hydroxychloroquine sulfate", "Plaquenil", "Plaquenil sulfate", "Quinoric", "Sovuna"], "chembl_availability_type": "prescription only"}
{"name": "RNA-directed RNA polymerase", "xref": ["CHEMBL.TARGET:CHEMBL4296320"], "id": "UniProtKB:O39930", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3052230"]}
{"name": "Sodium channel protein type 10 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL5451"], "id": "UniProtKB:Q9Y5Y9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104987", "category": ["biolink:ChemicalEntity"], "name": "TEDUGLUTIDE", "xref": ["InChIKey:CILIXQOJUNDIDU-ASQIGDHWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC"], "synonym": ["Teduglutide", "Teduglutide", "Teduglutide", "Teduglutide", "Teduglutide recombinant", "Teduglutide", "Teduglutida", "Teduglutide", "Teduglutide", "Gattex", "Revestive", "Teduglutide", "Teduglutide (rdna origin)", "ALX 0600", "ALX-0600", "Gattex kit", "Revestive", "Teduglutide"], "chembl_availability_type": "prescription only"}
{"name": "Glucagon-like peptide 2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL5844"], "id": "UniProtKB:O95838", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201134", "category": ["biolink:ChemicalEntity"], "name": "LUBIPROSTONE", "xref": ["InChIKey:WGFOBBZOWHGYQH-MXHNKVEKSA-N", "SMILES:CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1"], "synonym": ["Lubiprostone", "Lubiprostone", "Lubiprostone", "Lubiprostone", "Lubiprostona", "Lubiprostone", "Lubiprostone", "Lubiprostone", "Lubiprostone hemiketal", "RU-0211", "SPI-0211", "Amitiza", "Lubiprostone"], "chembl_availability_type": "prescription only"}
{"name": "Chloride channel protein 2", "xref": ["CHEMBL.TARGET:CHEMBL1628478"], "id": "UniProtKB:P51788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1387", "category": ["biolink:ChemicalEntity"], "name": "NORETHYNODREL", "xref": ["InChIKey:ICTXHFFSOAJUMG-SLHNCBLASA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C"], "synonym": ["Noretynodrel", "Noretynodrel", "Norethynodrel", "Noretynodrel", "Noretinodrel", "Enidrel", "Norethynodrel", "NSC-15432", "SC-4642", "Norethynodrel component of enovid", "Norethynodrel", "Norethynodrel"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Progesterone receptor", "xref": ["CHEMBL.TARGET:CHEMBL208"], "id": "UniProtKB:P06401", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1531", "category": ["biolink:ChemicalEntity"], "name": "ETONOGESTREL", "xref": ["InChIKey:GCKFUYQCUCGESZ-BPIQYHPVSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC"], "synonym": ["Etonogestrel", "Etonogestrel", "Etonogestrel", "Etonogestrel", "Etonogestrel", "Etonogestrel", "Etonogestrel", "Implanon", "ORG 3236", "ORG-3236", "Etonogestrel component of nuvaring", "Implanon", "Nexplanon", "Etonogestrel", "Desogestrel related compound c", "Etonogestrel"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201139", "category": ["biolink:ChemicalEntity"], "name": "MEGESTROL ACETATE", "xref": ["InChIKey:RQZAXGRLVPAYTJ-GQFGMJRRSA-N", "SMILES:CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "synonym": ["Megestrol", "Megestrol", "Megestrol acetate", "Megestrol acetate", "Megestrol", "Megestrol acetate", "Chronopil", "Megesterol acetate", "Megestrol 17.alpha.-acetate", "Megestrol acetate", "5071", "BDH 1298", "BDH-1298", "NSC-71423", "SC 10363", "SC-10363", "Megace", "Megace es", "Megestrol acetate", "Megestrol acetate", "Megestrol acetate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201146", "category": ["biolink:ChemicalEntity"], "name": "NORETHINDRONE ACETATE", "xref": ["InChIKey:IMONTRJLAWHYGT-ZCPXKWAGSA-N", "SMILES:C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"], "synonym": ["Norethisterone acetate", "Norethindrone acetate", "Norethisterone acetate", "Norethindrone acetate", "Norethindrone acetate", "Norethisteron acetate", "Norethisterone 17-acetate", "Norethisterone acetate", "Norethisteroni acetas", "Norethynyltestosterone", "Norlutin acetate", "NSC-22844", "SH-420", "Aygestin", "Norethidrone acetate", "Norethindrone acetate", "Norethindrone acetate component of activella", "Norethindrone acetate component of combipatch", "Norethindrone acetate component of estrostep fe", "Norethindrone acetate component of femhrt", "Norethindrone acetate component of femlyv", "Norethindrone acetate component of lo loestrin fe", "Norethindrone acetate component of myfembree", "Norethindrone acetate component of oriahnn", "Norethindrone acetate component of taytulla", "Norethindrone acetate component of tri-legest fe", "Norlutate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL717", "category": ["biolink:ChemicalEntity"], "name": "MEDROXYPROGESTERONE ACETATE", "xref": ["InChIKey:PSGAAPLEWMOORI-PEINSRQWSA-N", "SMILES:CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "synonym": ["Medroxyprogesterone", "Medroxyprogesterone acetate", "Medroxyprogesterone acetate", "Medroxyprogesterone", "Medroxiprogesterona", "Medroxyprogesterone 17-acetate", "Depot-medroxyprogesterone acetate", "Farlutal inyectable", "Medroxyprogesterone", "Medroxyprogesterone acetate", "Medroxyprogesteroni acetas", "G03AC06", "NSC-21171", "NSC-26386", "NSC-27408", "TV-46046", "Adgyn medro", "Amen", "Climanor", "Curretab", "Cycrin", "Depo-progevera", "Depo-provera", "Depo-provera oncology", "Depo-subq provera 104", "Farlutal", "Farlutal 100", "Farlutal 200", "Farlutal 250", "Farlutal 500", "Medroxyprogesterone acetate", "Medroxyprogesterone acetate component of lunelle", "Medroxyprogesterone acetate component of premphase", "Medroxyprogesterone acetate component of prempro", "Provera", "Sayana press"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1162", "category": ["biolink:ChemicalEntity"], "name": "NORETHINDRONE", "xref": ["InChIKey:VIKNJXKGJWUCNN-XGXHKTLJSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"], "synonym": ["Norethisterone", "Norethisterone", "Norethindrone", "Norethisterone", "Noretisterona", "Norethindrone", "Activella", "Anovule", "Calluna vulgaris", "Calluna vulgaris whole", "Combipatch", "Femhrt", "Gestest", "Heather whole", "Norethindrone", "Norethisteron", "Norethisterone", "Norethisteronum", "Triella", "NSC-9564", "SC-4640", "Camila", "Errin", "Heather", "Incassia", "Jencycla", "Menzol", "Micronor", "Micronor hrt", "Nor-qd", "Norethidrone", "Norethindrone", "Norethindrone component of aranelle", "Norethindrone component of brevicon", "Norethindrone component of femcon fe", "Norethindrone component of lo minastrin fe", "Norethindrone component of minastrin 24 fe", "Norethindrone component of norinyl", "Norethindrone component of norquest fe", "Norethindrone component of taytulla", "Norethindrone component of vyfemla", "Noriday", "Norlutin", "Primolut n", "Utovlan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200848", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYPROGESTERONE CAPROATE", "xref": ["InChIKey:DOMWKUIIPQCAJU-LJHIYBGHSA-N", "SMILES:CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "synonym": ["Hydroxyprogesterone", "Hydroxyprogesterone caproate", "Hydroxyprogesterone caproate", "Hydroxyprogesterone caproate", "Caproate d'hydroxyprogesterone", "Caproato de hidroxiprogesterona", "Hidroxiprogesterona", "17.alpha.-hydroxyprogesterone", "17-alpha-hydroxyprogesterone", "17-hydroxyprogesterone", "17-ohpc", "17.alpha.-caproyloxy-p4", "17.alpha.-hydroxyprogesterone", "17alpha-hydroxyprogesterone", "Depo-proluton", "Hormofort", "Hydroxyprogesterone caproate", "Hydroxyprogesterone hexanoate", "Hylutin", "Pharlon", "Primolut depot", "Procyte depo", "Proge", "Syngynon", "Teralutil", "NSC-15468", "NSC-17592", "U-3096", "Delalutin", "Hydroxyprogesterone caproate", "Makena", "Makena (autoinjector)", "Makena preservative free", "Proluton depot"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200853", "category": ["biolink:ChemicalEntity"], "name": "DYDROGESTERONE", "xref": ["InChIKey:JGMOKGBVKVMRFX-HQZYFCCVSA-N", "SMILES:CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C"], "synonym": ["Dydrogesterone", "Dydrogesterone", "Dydrogesterone", "Dydrogesterone", "Dydrogesterone", "Didrogesterona", "Dydrogesterone", "Dydrogesterone", "Dydrogesterone", "Isopregnenone", "NSC-92336", "Duphaston", "Duphaston-hrt", "Gynorest", "Dydrogesterone", "Dydrogesterone"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL103", "category": ["biolink:ChemicalEntity"], "name": "PROGESTERONE", "xref": ["InChIKey:RJKFOVLPORLFTN-LEKSSAKUSA-N", "SMILES:CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Progesterone", "Progesterone", "Progesterone", "Progesterone", "Progesterona", "Progesterone", "Progesterone", "Progesterone, micronized", "Progesteronum", "NSC-64377", "NSC-9704", "U 3672", "Crinone", "Cyclogest", "Endometrin", "Lutigest", "Milprosa", "Prochieve", "Progesta-care", "Progestasert", "Progesterone", "Progesterone component of bijuva", "Progestin", "Prometrium", "Regumate", "Serenity for women", "Syngestrone", "Utrogestan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107797", "category": ["biolink:ChemicalEntity"], "name": "NORGESTREL", "xref": ["InChIKey:WWYNJERNGUHSAO-CULCCENASA-N", "SMILES:C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC"], "synonym": ["Norgestrel", "Norgestrel", "Norgestrel", "Norgestrel", "Norgestrel", "Norgestrel", "Dl-norgestrel", "Norgestrel", "Prefest", "Previfem", "Sprintec", "Tri-previfem", "Tri-sprintec", "FH-122A", "NSC-757251", "SH-70850", "SH-850", "WY-3707", "Norgestrel component of cryselle", "Norgestrel component of ovral", "Opill", "Ovrette", "Norgestrel", "Norgestrel"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200934", "category": ["biolink:ChemicalEntity"], "name": "NORGESTIMATE", "xref": ["InChIKey:KIQQMECNKUGGKA-NMYWJIRASA-N", "SMILES:C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC"], "synonym": ["Norgestimate", "Norgestimate", "Norgestimate", "Norgestimato", "Norgestimate", "Dexnorgestrel acetime", "Norgestimate", "NSC-759159", "ORF 10131", "ORF-10131", "RWJ 10131", "RWJ-10131", "Norgestimate component of ortho tri-cyclen", "Norgestimate component of prefest", "Norgestimate component of previfem", "Norgestimate component of sprintec", "Norgestimate component of tri lo sprintec", "Norgestimate component of tri-previfem", "Norgestimate component of tri-sprintec", "Norgestimate", "Norgestimate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1389", "category": ["biolink:ChemicalEntity"], "name": "LEVONORGESTREL", "xref": ["InChIKey:WWYNJERNGUHSAO-XUDSTZEESA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC"], "synonym": ["Levonorgestrel", "Levonorgestrel", "Levonorgestrel", "Levonorgestrel", "Levonorgestrel", "Levonorgestrel", "Norgestrel (-)-form", "Levonorgestrel", "Levonorgestrelum", "Norgestrel, (-)-", "BAY86-5028", "NSC-744007", "WY-5104", "Athentia next", "Emerres", "Emerres una", "Ezinelle", "Fallback solo", "Her style", "Isteranda", "Jadelle", "Jaydess", "Kyleena", "Levonelle", "Levonelle one step", "Levonelle-2", "Levonorgestrel", "Levonorgestrel component of afirmelle", "Levonorgestrel component of alesse", "Levonorgestrel component of altavera", "Levonorgestrel component of aviane", "Levonorgestrel component of balcoltra", "Levonorgestrel component of climara pro", "Levonorgestrel component of elifemme", "Levonorgestrel component of enpresse", "Levonorgestrel component of introvale", "Levonorgestrel component of kurvelo", "Levonorgestrel component of kyleena", "Levonorgestrel component of lessina", "Levonorgestrel component of levlite", "Levonorgestrel component of levonest", "Levonorgestrel component of levora", "Levonorgestrel component of loseasonique", "Levonorgestrel component of lybrel", "Levonorgestrel component of marlissa", "Levonorgestrel component of myzilra", "Levonorgestrel component of nordette", "Levonorgestrel component of opcicon one-step", "Levonorgestrel component of orsythia", "Levonorgestrel component of portia", "Levonorgestrel component of preven", "Levonorgestrel component of quartette", "Levonorgestrel component of quasense", "Levonorgestrel component of seasonale", "Levonorgestrel component of seasonique", "Levonorgestrel component of setlakin", "Levonorgestrel component of triphasil", "Levonorgestrel component of trivora", "Levonorgestrel component of twirla", "Levonorgestrel component of tyblume", "Levonorgestrel component of vienva", "Levosert", "Liletta", "Microval", "Mirena", "Norgeston", "Norplant", "Norplant ii", "Opcicon one-step", "Plan b", "Plan b one-step", "Postinor-2", "Skyla", "Upostelle", "Levonorgestrel", "Levonorgestrel"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1533", "category": ["biolink:ChemicalEntity"], "name": "DESOGESTREL", "xref": ["InChIKey:RPLCPCMSCLEKRS-BPIQYHPVSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC"], "synonym": ["Desogestrel", "Desogestrel", "Desogestrel", "Desogestrel", "Desogestrel", "Desogestrel", "Desogestrel", "Desogestrel", "Mircette", "ORG 2969", "ORG-2969", "Aizea", "Cerazette", "Cerelle", "Desogestrel component of bekyree", "Desogestrel component of cyclessa", "Desogestrel component of desogen", "Desogestrel component of enskyce", "Desogestrel component of isibloom", "Desogestrel component of kariva", "Desogestrel component of mircette", "Desogestrel component of ortho-cept", "Desogestrel component of pimtrea", "Desogestrel component of velivet", "Desogestrel component of viorele", "Desogestrel component of volnea", "Desomono", "Feanolla", "Nacrez", "Zelleta", "Desogestrel", "Desogestrel"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL260538", "category": ["biolink:ChemicalEntity"], "name": "ULIPRISTAL ACETATE", "xref": ["InChIKey:OOLLAFOLCSJHRE-ZHAKMVSLSA-N", "SMILES:CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C"], "synonym": ["Ulipristal acet", "Ulipristal acetate", "Ulipristal acetate", "Ulipristal acetate", "Ulipristal acetate", "Ulipristal acetate", "CDB-2914", "PGL-4001", "RTI-3021-012", "VA-2914", "VA2914", "Ella", "Ellaone", "Esmya", "Ulipristal acetate gedeon richter", "Ulipristal acetate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200807", "category": ["biolink:ChemicalEntity"], "name": "NORELGESTROMIN", "xref": ["InChIKey:ISHXLNHNDMZNMC-VTKCIJPMSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC"], "synonym": ["Norelgestromin", "Norelgestromin", "Norelgestromin", "Norelgestromine", "Norelgestromina", "Norelgestromin", "Norelgestromin", "RWJ-10553", "Norelgestromin component of xulane", "Norelgestromin", "Deacetylnorgestimate", "Norelgestromin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200624", "category": ["biolink:ChemicalEntity"], "name": "ETHYNODIOL DIACETATE", "xref": ["InChIKey:ONKUMRGIYFNPJW-KIEAKMPYSA-N", "SMILES:C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C"], "synonym": ["Etynodiol", "Etynodiol", "Etynodiol diacetate", "Ethynodiol diacetate", "Etynodiol", "Etinodiol", "Ethynodiol diacetate", "Etynodiol acetate", "Ethynodiol diacetate", "Ethynodiol diacetate", "Etynodiol acetate", "Etynodiol diacetate", "NSC-759288", "SC 11800", "SC-11800", "Ethynodiol diacetate component of kelnor", "Ethynodiol diacetate component of ovulen", "Ethynodiol diacetate component of zovia", "Femulen", "Ethynodiol diacetate", "Ethynodiol diacetate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1479", "category": ["biolink:ChemicalEntity"], "name": "DANAZOL", "xref": ["InChIKey:POZRVZJJTULAOH-LHZXLZLDSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C"], "synonym": ["Danazol", "Danazol", "Danazol", "Danazol", "Danazol", "Danazol", "Danazol", "Danazol", "NSC-270916", "WIN 17,757", "WIN-17757", "Danazol", "Danocrine", "Danazol", "Danazol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL473417", "category": ["biolink:ChemicalEntity"], "name": "VISMODEGIB", "xref": ["InChIKey:BPQMGSKTAYIVFO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1"], "synonym": ["Vismodegib", "Vismodegib", "Vismodegib", "Vismodegib", "Vismodegib", "Vismodegib", "Vismodegib", "GDC-0449", "NSC-747691", "NSC-755986", "Erivedge", "Vismodegib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Protein smoothened", "xref": ["CHEMBL.TARGET:CHEMBL5971"], "id": "UniProtKB:Q99835", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transient receptor potential cation channel subfamily A member 1", "xref": ["CHEMBL.TARGET:CHEMBL6007"], "id": "UniProtKB:O75762", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL832", "category": ["biolink:ChemicalEntity"], "name": "SULFINPYRAZONE", "xref": ["InChIKey:MBGGBVCUIVRRBF-UHFFFAOYSA-N", "SMILES:O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1"], "synonym": ["Sulfinpyrazone", "Sulfinpyrazone", "Sulfinpyrazone", "Sulfinpyrazone", "Sulfinpirazona", "NSC-75925", "Anturan", "Anturane", "Sulfinpyrazone"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Solute carrier family 22 member 12", "xref": ["CHEMBL.TARGET:CHEMBL6120"], "id": "UniProtKB:Q96S37", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Angiopoietin-1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL4128"], "id": "UniProtKB:Q02763", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Placenta growth factor", "xref": ["CHEMBL.TARGET:CHEMBL1697671"], "id": "UniProtKB:P49763", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL897", "category": ["biolink:ChemicalEntity"], "name": "PROBENECID", "xref": ["InChIKey:DBABZHXKTCFAPX-UHFFFAOYSA-N", "SMILES:CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1"], "synonym": ["Probenecid", "Probenecid", "Probenecid", "Probenecid", "Probenecide", "Probenecid", "P-(dipropylsulfamoyl)benzoic acid", "Probenate", "Probenecid", "Probenecidum", "HC 5006", "NSC-18786", "Benemid", "Benuryl", "Probalan", "Probampicin", "Probecid", "Probenecid", "Probenecid component of col-", "Probenecid component of colbenemid", "Probenecid component of orlynvah", "Probenecid component of probampacin", "Probenecid component of proben-c"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Solute carrier family 22 member 6", "xref": ["CHEMBL.TARGET:CHEMBL1641347"], "id": "UniProtKB:Q4U2R8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Organic anion transporter 3", "xref": ["CHEMBL.TARGET:CHEMBL1641348"], "id": "UniProtKB:Q8TCC7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214124", "category": ["biolink:ChemicalEntity"], "name": "PERAMPANEL", "xref": ["InChIKey:PRMWGUBFXWROHD-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O"], "synonym": ["Perampanel", "Perampanel", "Perampanel", "Perampanel", "Perampanel", "Perampanel", "Perampanel", "E-2007", "E2007", "ER-155055-90", "Fycompa", "Perampanel"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2096670", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor ionotropic AMPA"}
{"id": "CHEMBL.COMPOUND:CHEMBL957", "category": ["biolink:ChemicalEntity"], "name": "BOSENTAN", "xref": ["InChIKey:GJPICJJJRGTNOD-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO"], "synonym": ["Bosentan", "Bosentan", "Bosentan", "Bosentan", "Bosentan (as monohydrate)", "Bosentan", "Bosentan", "Bosentan hydrate", "Bosentan", "Bosentan monohydrate", "Anhydrous bosentan", "Bosentan", "Bosentan anhydrous", "Bosentan hydrate", "Bosentan monohydrate", "RO 47-0203/029", "RO-47-0203-029", "RO-47-0203/029", "RO-470203029", "Stayveer", "Tracleer", "Bosentan", "Bosentan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2096678", "category": ["biolink:ProteinFamily"], "name": "Endothelin receptor, ET-A/ET-B"}
{"id": "CHEMBL.COMPOUND:CHEMBL1111", "category": ["biolink:ChemicalEntity"], "name": "AMBRISENTAN", "xref": ["InChIKey:OUJTZYPIHDYQMC-LJQANCHMSA-N", "SMILES:COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O"], "synonym": ["Ambrisentan", "Ambrisentan", "Ambrisentan", "Ambrisentan", "Ambrisentan", "Ambrisentan", "Ambrisentan", "Ambrisentan", "Ambrisentan", "GSK-1325760", "GSK-1325760A", "GSK1325760", "GSK1325760A", "LU-208075", "Ambrisentan mylan", "Letairis", "Volibris"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Solute carrier family 22 member 11", "xref": ["CHEMBL.TARGET:CHEMBL2073677"], "id": "UniProtKB:Q9NSA0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201536", "category": ["biolink:ChemicalEntity"], "name": "NICOTINE POLACRILEX", "synonym": ["Nicotine polacrilex", "Nicotine polacrilex", "Nicorette", "Nicorette (mint)", "Nicotine polacrilex", "Thrive", "Nicotine polacrilex", "Nicotine polacrilex"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.TARGET:CHEMBL1907589", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha4/beta2"}
{"id": "CHEMBL.COMPOUND:CHEMBL3", "category": ["biolink:ChemicalEntity"], "name": "NICOTINE", "xref": ["InChIKey:SNICXCGAKADSCV-JTQLQIEISA-N", "SMILES:CN1CCC[C@H]1c1cccnc1"], "synonym": ["Nicotine", "Nicotine", "Nicotine", "Nicotine", "Nicotine", "Habitrol", "Nicabate", "Nicoderm cq", "Nicopass", "Nicopatch", "Nicorette invisi", "Nicotine", "Nicotinell classic", "Nicotinell support", "Nicotinell tts 10", "Nicotinell tts 20", "Nicotinell tts 30", "Nicotrol", "Nicotrol inhaler", "Nicotrol ns", "Niquitin", "Niquitin clr", "Niquitin minis cherry", "Niquitin minis mint", "Niquitin minis orange", "Niquitin mint", "Niquitin pre-quit", "Niquitin strips mint", "Prostep", "Stoppers", "Stubit", "Nicotine"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067972", "category": ["biolink:ChemicalEntity"], "name": "VARENICLINE TARTRATE", "xref": ["InChIKey:TWYFGYXQSYOKLK-CYUSMAIQSA-N", "SMILES:O=C(O)[C@H](O)[C@@H](O)C(=O)O.c1cnc2cc3c(cc2n1)[C@@H]1CNC[C@H]3C1"], "synonym": ["Varenicline tartrate", "Varenicline tartrate", "Varenicline tartrate", "Varenicline tartrate", "Tyrvaya", "Varenicline tartrate", "CP-526,555-18", "CP-526555-18", "Champix", "Chantix", "Tyrvaya", "Varenicline tartrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301675", "category": ["biolink:ChemicalEntity"], "name": "LINACLOTIDE", "xref": ["InChIKey:KXGCNMMJRFDFNR-WDRJZQOASA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2"], "synonym": ["Linaclotide", "Linaclotide", "Linaclotide", "Linaclotide", "Linaclotide", "Linaclotida", "Linaclotide", "Linaclotide", "Linaclotide", "ASP-0456", "ASP0456", "MD-1100", "MD-7246 (DELAYED RELEASE FORMULATION)", "Constella", "Linzess", "Linaclotide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Guanylyl cyclase C", "xref": ["CHEMBL.TARGET:CHEMBL1795197"], "id": "UniProtKB:P25092", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL675", "category": ["biolink:ChemicalEntity"], "name": "ALENDRONATE SODIUM", "xref": ["InChIKey:CAKRAHQRJGUPIG-UHFFFAOYSA-M", "SMILES:NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]"], "synonym": ["Alendronate sodium", "Alendronate sodium hydrate", "Alendronic acid monosodium salt trihydrate", "Adrovance", "Alendronate (as sodium)", "Alendronate sodium", "Alendronate sodium hydrate", "Alendronate sodium trihydrate", "Fosavance", "Sodium alendronate", "Sodium alendronate trihydrate", "Vantavo", "G-704,650", "G-704650", "MK-217", "NSC-722597", "NSC-758931", "Alendronate sodium", "Alendronate sodium component of fosamax plus d", "Binosto", "Fosamax", "Alendronate sodium", "Alendronate sodium"], "chembl_availability_type": "prescription only"}
{"name": "Farnesyl pyrophosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL1782"], "id": "UniProtKB:P14324", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1654", "category": ["biolink:ChemicalEntity"], "name": "RISEDRONATE SODIUM", "xref": ["InChIKey:DRFDPXKCEWYIAW-UHFFFAOYSA-M", "SMILES:O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+]"], "synonym": ["Risedronate sodium", "Risedronate sodium", "Risedronic acid monosodium salt", "Risedronate monosodium", "Risedronate sodium", "Risedronate sodium anhydrous", "NE-58095", "NE-58095 ANHYDROUS", "NSC-722598", "NSC-759280", "Actonel", "Atelvia", "Risedronate sodium", "Risedronate sodium", "Risedronate sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4303669", "category": ["biolink:ChemicalEntity"], "name": "ZOLEDRONIC ACID", "xref": ["InChIKey:FUXFIVRTGHOMSO-UHFFFAOYSA-N", "SMILES:O.O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O"], "synonym": ["Zoledronic acid", "Zoledronic acid", "Zoledronic acid", "Zoledronic acid", "Zoledronic acid", "Zoledronic acid", "Acide zoledronique", "Acido zoledronico", "Zoledronic acid hydrate", "Zoledronic acid", "Zoledronic acid monohydrate", "Zoladrona acid mylan", "Zoledronate hydrate", "Zoledronic", "Zoledronic acid", "Zoledronic acid accord", "Zoledronic acid hydrate", "Zoledronic acid medac", "Zoledronic acid monohydrate", "Zoledronic acid teva", "AK-156", "CGP 42446", "CGP-42446", "CGP-42446A", "NSC-721517", "Aclasta", "Reclast", "Zerlinda", "Zoledronic acid", "Zoledronic acid accord", "Zoledronic acid actavis", "Zoledronic acid hospira", "Zoledronic acid medac", "Zoledronic acid mylan", "Zoledronic acid teva", "Zoledronic acid teva generics", "Zoledronic acid teva pharma", "Zometa", "Zoledronic acid", "Zoledronic acid"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989569", "category": ["biolink:ChemicalEntity"], "name": "IBANDRONATE SODIUM", "xref": ["InChIKey:VBDRTGFACFYFCT-UHFFFAOYSA-M", "SMILES:CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+]"], "synonym": ["Ibandronate sodium", "Ibandronate sodium", "Ibandronate sodium hydrate", "Ibandronic acid sodium salt", "Ibandronic acid sodium salt monohydrate", "Ibandronate monosodium monohydrate", "Ibandronate sodium", "Ibandronate sodium hydrate", "Ibandronate sodium monohydrate", "Ibandronic sodium monohydrate", "Sodium ibandronate monohydrate", "BM 21.0955 NA H20", "BM-21.0955", "BM-210955", "NSC-759815", "Bondenza (previously ibandronic acid roche)", "Bondronat", "Boniva", "Bonviva", "Destara", "Iasibon", "Ibandronate sodium", "Ibandronate sodium component of dp-r206  ibandronate", "Ibandronic acid accord", "Ibandronic acid sandoz", "Ibandronic acid teva", "Ibandronate sodium", "Ibandronate sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989401", "category": ["biolink:ChemicalEntity"], "name": "PAMIDRONATE DISODIUM", "xref": ["InChIKey:CZYWHNTUXNGDGR-UHFFFAOYSA-L", "SMILES:NCCC(O)(P(=O)([O-])O)P(=O)([O-])O.O.O.O.O.O.[Na+].[Na+]"], "synonym": ["Pamidronate disodium", "Pamidronate disodium", "Pamidronate disodium", "Pamidronate disodium hydrate", "Disodium pamidronate", "Pamidronate disodium", "Pamidronate disodium hydrate", "Pamidronate disodium pentahydrate", "CGP 23339AE", "CGP-23339AE", "Aredia", "Pamidronate disodium", "Pamidronate disodium", "Pamidronate disodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL503", "category": ["biolink:ChemicalEntity"], "name": "LOVASTATIN", "xref": ["InChIKey:PCZOHLXUXFIOCF-BXMDZJJMSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"], "synonym": ["Lovastatin", "Lovastatin", "Lovastatin", "Lovastatin", "Lovastatin", "Lovastatine", "Lovastatina", "Lovastatin", "6.alpha.-methylcompactin", "Lovastatin", "Mevinolin", "Mevlor", "Monacolin k", "Sivlor", "C10AA02", "L-154803", "MK-803", "NSC-758662", "Altoprev", "Lovastatin", "Lovastatin component of advicor", "Mevacor", "Mevinacor", "Mevinacor 10", "Mevinacor 40", "Lovastatin", "Lovastatin", "Simvastatin impurity, lovastatin-"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "3-hydroxy-3-methylglutaryl-coenzyme A reductase", "xref": ["CHEMBL.TARGET:CHEMBL402"], "id": "UniProtKB:P04035", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200563", "category": ["biolink:ChemicalEntity"], "name": "CERIVASTATIN SODIUM", "xref": ["InChIKey:GPUADMRJQVPIAS-QCVDVZFFSA-M", "SMILES:COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1.[Na+]"], "synonym": ["Cerivastatin sodium", "Cerivastatin sodium salt", "Cerivastatin sodium", "Cerivastatin sodium salt", "BAY W 6228", "BAY-W-6228", "Baycol", "Cerivastatin sodium"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237061", "category": ["biolink:ChemicalEntity"], "name": "PITAVASTATIN CALCIUM", "xref": ["InChIKey:RHGYHLPFVJEAOC-FFNUKLMVSA-L", "SMILES:O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]"], "synonym": ["Pitavastatin calcium", "Pitavastatin calcium", "Pitavastatin calcium salt", "Itavastatin calcium", "Pitavastatin calcium", "NK-104", "Livalo", "Pitavastatin calcium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2218894", "category": ["biolink:ChemicalEntity"], "name": "FLUVASTATIN SODIUM", "xref": ["InChIKey:ZGGHKIMDNBDHJB-CALJPSDSSA-M", "SMILES:CC(C)n1c(/C=C/C(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+]"], "synonym": ["Fluvastatin sodium", "Fluvastatin sodium", "Fluvastatin sodium", "Fluvastatin sodium salt", "Almastatin", "Canef", "Cranoc", "Fluindostatin", "Fluvastatin sodium", "Fractal", "Lipaxan", "Lochol", "Locol", "Primexin", "Vastin", "XU 62-320", "XU-62-320", "Dorisin xl", "Fluvastatin sodium", "Lescol", "Lescol xl", "Luvinsta xl", "Nandovar xl", "Pinmactil", "Stefluvin xl", "Fluvastatin sodium", "Fluvastatin sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1744447", "category": ["biolink:ChemicalEntity"], "name": "ROSUVASTATIN CALCIUM", "xref": ["InChIKey:LALFOYNTGMUKGG-BGRFNVSISA-L", "SMILES:CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]"], "synonym": ["Rosuvastatin calcium", "Rosuvastatin calcium", "Rosuvastatin calcium", "Rosuvastatin calcium salt", "Fortius", "Rostar", "Rosuvastatin (as calcium)", "Rosuvastatin calcium", "Rosuvastatin hemicalcium", "Rozavel", "Suvikan", "NSC-747274", "NSC-758930", "S-4522", "ZD-4522 (CALCIUM SALT)", "ZD-4522 CALCIUM", "ZD4522 (CALCIUM SALT)", "ZD4522 CALCIUM", "Crestor", "Ezallor", "Ezallor sprinkle", "Rosuvastatin calcium", "Rosuvastatin calcium component of roszet", "Rosuvastatin calcium", "Rosuvastatin calcium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL690", "category": ["biolink:ChemicalEntity"], "name": "PRAVASTATIN SODIUM", "xref": ["InChIKey:VWBQYTRBTXKKOG-IYNICTALSA-M", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+]"], "synonym": ["Pravastatin sodium", "Pravastatin sodium", "Pravastatin sodium", "Pravastatin sodium", "Dehypotin protect", "Eptastatin sodium", "Pravastatin sodium", "CS-514", "NSC-759253", "SQ-31,000", "SQ-31000", "Elisor", "Lipemol", "Liplat", "Lipostat", "Pravachol", "Pravastatin sodium", "Pravastatin sodium component of pravigard pac", "Pravastatin sodium", "Pravastatin sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL393220", "category": ["biolink:ChemicalEntity"], "name": "ATORVASTATIN CALCIUM", "xref": ["InChIKey:FQCKMBLVYCEXJB-MNSAWQCASA-L", "SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]"], "synonym": ["Atorvastatin calcium", "Atorvastatin calcium hydrate", "Atorvastatin calcium salt anhydrous", "Atorvastatin calcium salt trihydrate", "Atorvastatin calcium", "Atorvastatin calcium (anhydrous)", "Atorvastatin calcium anhydrous", "Atorvastatin calcium trihydrate", "CI-981", "NSC-758617", "Atorvaliq", "Atorvastatin calcium", "Atorvastatin calcium component of caduet", "Atorvastatin calcium component of liptruzet", "Atorvastatin calcium component of ocustatin   trihydrate", "Lipitor", "Torvast", "Totalip", "Atorvastatin calcium", "Atorvastatin calcium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1064", "category": ["biolink:ChemicalEntity"], "name": "SIMVASTATIN", "xref": ["InChIKey:RYMZZMVNJRMUDD-HGQWONQESA-N", "SMILES:CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"], "synonym": ["Simvastatin", "Simvastatin", "Simvastatin", "Simvastatin", "Simvastatin", "Simvastatine", "Simvastatina", "Simvastatin", "Simvastatin", "Simvastatin", "Synvinolin", "C10AA01", "MK-0733", "MK-733", "NSC-758706", "Flolipid", "Lacersa", "Ranzolont", "Simvador", "Simvastatin", "Simvastatin component of juvisync", "Simvastatin component of polycap", "Simvastatin component of simcor", "Simvastatin component of vytorin", "Zocor", "Zocor heart-pro", "Simvastatin", "Simvastatin"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1096", "category": ["biolink:ChemicalEntity"], "name": "AMLEXANOX", "xref": ["InChIKey:SGRYPYWGNKJSDL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1"], "synonym": ["Amlexanox", "Amlexanox", "Amlexanox", "Amlexanox", "Amlexanoxo", "Amlexanox", "Amlexanox", "Amlexanox", "Amoxanox", "Aphtheal", "Elics", "Solfa", "AA-673", "CHX 3673", "CHX-3673", "Amlexanox", "Aphthasol", "Amlexanox", "Amlexanox"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2093863", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 4"}
{"id": "CHEMBL.COMPOUND:CHEMBL1752", "category": ["biolink:ChemicalEntity"], "name": "DYPHYLLINE", "xref": ["InChIKey:KSCFJBIXMNOVSH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O"], "synonym": ["Diprophylline", "Diprophylline", "Dyphylline", "Diprophylline", "Diprofilina", "Dyphilline", "NSC-14305", "Dilor", "Dilor-400", "Lufyllin", "Neothylline"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL193240", "category": ["biolink:ChemicalEntity"], "name": "ROFLUMILAST", "xref": ["InChIKey:MNDBXUUTURYVHR-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1"], "synonym": ["Roflumilast", "Roflumilast", "Roflumilast", "Roflumilast", "Roflumilast", "Roflumilast", "Roflumilast", "Arq-151", "Roflumilast", "Zoryve", "ARQ-154 (ROFLUMILAST FOAM)", "B-9302-107", "B9302-107", "BY-217", "BY217", "BYK-20869", "BYK20869", "Daliresp", "Daxas", "Libertek", "Zoryve", "Roflumilast"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1355736", "category": ["biolink:ChemicalEntity"], "name": "THEOPHYLLINE", "xref": ["InChIKey:INQSMEFCAIHTJG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2nc[nH]c2n(C)c1=O.O"], "synonym": ["Theophylline", "Theophylline", "Theophylline", "Theophylline", "Theophylline", "Theophylline monohydrate", "NSC-757346", "Accurbron", "Aerolate", "Aerolate iii", "Aerolate jr", "Aerolate sr", "Aquaphyllin", "Bronkodyl", "Duraphyl", "Elixicon", "Elixomin", "Elixophyllin", "Elixophyllin sr", "Labid", "Lanophyllin", "Lasma", "Nuelin", "Nuelin sa", "Nuelin sa-250", "Pro-vent", "Quibron-t", "Quibron-t/sr", "Slo-bid", "Slo-phyllin", "Somophyllin-crt", "Somophyllin-t", "Sustaire", "T-phyl", "Theo-24", "Theo-dur", "Theobid", "Theobid jr.", "Theochron", "Theocin", "Theoclear l.a.-130", "Theoclear l.a.-260", "Theoclear-100", "Theoclear-200", "Theoclear-80", "Theograd", "Theolair", "Theolair-sr", "Theolixir", "Theophyl", "Theophyl-225", "Theophyl-sr", "Theophylline", "Theophylline 0.04% and dextrose 5% in plastic container", "Theophylline 0.08% and dextrose 5% in plastic container", "Theophylline 0.16% and dextrose 5% in plastic container", "Theophylline 0.2% and dextrose 5% in plastic container", "Theophylline 0.32% and dextrose 5% in plastic container", "Theophylline 0.4% and dextrose 5% in plastic container", "Theophylline and dextrose 5% in plastic container", "Theophylline component of dicurin procaine", "Theophylline component of mersalyl-", "Theophylline in dextrose 5% in plastic container", "Theophylline-sr", "Theovent", "Uni-dur", "Uniphyl", "Uniphyllin continus"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200578", "category": ["biolink:ChemicalEntity"], "name": "THEOPHYLLINE SODIUM GLYCINATE", "xref": ["InChIKey:AIJQWRAOMFRHTQ-UHFFFAOYSA-M", "SMILES:Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCC(=O)[O-].[Na+]"], "synonym": ["Theophylline sodium glycinate", "Bronchoparat", "Englate", "Glycin theophyllinate", "Glytheonate", "Panophylline", "Theonate sodium", "Theophylline sodium aminoacetate", "Asbron", "Synophylate"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200875", "category": ["biolink:ChemicalEntity"], "name": "FLAVOXATE HYDROCHLORIDE", "xref": ["InChIKey:XOEVKNFZUQEERE-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl"], "synonym": ["Flavoxate hydrochloride", "Flavoxate hydrochloride", "Flavoxate hydrochloride", "Flavoxate hydrochloride", "Flavoxate hcl", "Flavoxate hydrochloride", "DW-61", "NSC-114649", "Flavoxate hydrochloride", "Urispas", "Urispas 200", "Flavoxate hydrochloride", "Flavoxate hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1370561", "category": ["biolink:ChemicalEntity"], "name": "AMINOPHYLLINE", "xref": ["InChIKey:FQPFAHBPWDRTLU-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN"], "synonym": ["Aminophylline", "Aminophylline", "Aminophylline", "Aminophylline", "Aminofilina", "Aminophylline", "Aminophylline", "Aminophyllinum", "Cardophyllin", "Linampheta", "Syntophyllin", "Theophylline-ethylenediamine", "NSC-7919", "Aminophyllin", "Aminophylline", "Aminophylline dye free", "Ammophyllin", "Amnivent-225 sr", "Amnivent-350 sr", "Peterphyllin", "Phyllocontin", "Somophyllin", "Somophyllin-df", "Truphylline"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL343448", "category": ["biolink:ChemicalEntity"], "name": "ROMIDEPSIN", "xref": ["InChIKey:OHRURASPPZQGQM-GCCNXGTGSA-N", "SMILES:C/C=C1\\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O"], "synonym": ["Romidepsin", "Romidepsin", "Romidepsin", "Romidepsine", "Romidepsina", "Romidepsin", "Romidepsin", "Depsipeptide", "Romidepsin", "FK-228", "FK228", "FR-901228", "FR901228", "NSC-630176", "Chromadax", "Istodax", "Romidepsin"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2093865", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201468", "category": ["biolink:ChemicalEntity"], "name": "ESTROGENS, ESTERIFIED", "synonym": ["Estrogens, esterified", "Estrogens esterified", "Estrogens, esterified", "Estrogens,esterified", "Amnestrogen", "Esterified estrogens", "Estratab", "Estrogens, esterified component of menrium", "Evex", "Femogen", "Menest", "Esterified estrogens"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2093866", "category": ["biolink:ProteinFamily"], "name": "Estrogen receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201466", "category": ["biolink:ChemicalEntity"], "name": "ESTROGENS, CONJUGATED SYNTHETIC A", "synonym": ["Estrogens, conjugated synthetic a", "Estrogens,conjugated synthetic a", "Synthetic conjugated estrogens, a", "Cenestin", "Synthetic conjugated estrogens a"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201649", "category": ["biolink:ChemicalEntity"], "name": "ESTROGENS, CONJUGATED", "synonym": ["Conjugated estrogens", "Oestrogens conjugated", "Estrogens, conjugated", "Estrogens, conjugated", "Conjugated estrogens", "Estrogen, conjugated (class)", "Estrogens conjugated", "Estrogens, conjugated", "Estrogens,conjugated", "G03CA57", "Estrogens, conjugated component of duavee", "Estrogens, conjugated component of premphase  conjugated estrogens", "Estrogens, conjugated component of prempro", "Estrogens, conjugated component of prempro  conjugated estrogens", "Premarin", "Conjugated estrogens"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201467", "category": ["biolink:ChemicalEntity"], "name": "SYNTHETIC CONJUGATED ESTROGENS, B", "synonym": ["Estrogens, conjugated synthetic b", "Estrogens,conjugated synthetic b", "Synthetic conjugated estrogens, b", "CE-10", "Enjuvia", "Synthetic conjugated estrogens, b"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105395", "category": ["biolink:ChemicalEntity"], "name": "OSPEMIFENE", "xref": ["InChIKey:LUMKNAVTFCDUIE-VHXPQNKSSA-N", "SMILES:OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1"], "synonym": ["Ospemifene", "Ospemifene", "Ospemifene", "Ospemifene", "Ospemifene", "Ospemifene", "Ospemifeno", "Ospemifene", "(deaminohydroxy) toremifene", "Ospemifene", "Tore iii", "FC-1271", "FC-1271A", "Osphena", "Senshio", "Ospemifene"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200598", "category": ["biolink:ChemicalEntity"], "name": "DIETHYLSTILBESTROL DIPHOSPHATE", "xref": ["InChIKey:NLORYLAYLIXTID-ISLYRVAYSA-N", "SMILES:CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1"], "synonym": ["Fosfestrol", "Diethylstilbestrol diphosphate", "Fosfestrol", "Stilphostrol"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201165", "category": ["biolink:ChemicalEntity"], "name": "QUINESTROL", "xref": ["InChIKey:PWZUUYSISTUNDW-VAFBSOEGSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C"], "synonym": ["Quinestrol", "Quinestrol", "Quinestrol", "Quinestrol", "NSC-759637", "W 3566", "W-3566", "Estrovis", "Quinestrol", "Quinestrol"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1358", "category": ["biolink:ChemicalEntity"], "name": "FULVESTRANT", "xref": ["InChIKey:VWUXBMIQPBEWFH-WCCTWKNTSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O"], "synonym": ["Fulvestrant", "Fulvestrant", "Fulvestrant", "Fulvestrant", "Fulvestrant", "Fulvestrant", "Fulvestrant", "Fulvestrant", "Fulvestrant", "ICI 182,780", "ICI-182780", "NSC-759879", "ZD-9238", "ZD9238", "Faslodex", "Fulvestrant mylan", "Fulvestrant", "Fulvestrant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200675", "category": ["biolink:ChemicalEntity"], "name": "TOREMIFENE CITRATE", "xref": ["InChIKey:IWEQQRMGNVVKQW-OQKDUQJOSA-N", "SMILES:CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Toremifene citrate", "Toremifene citrate", "Toremifene citrate", "Toremifene citrate", "Toremifene citrate", "Toremifene citrate", "FC-1157A", "NSC-613680", "Fareston", "Toremifene citrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201584", "category": ["biolink:ChemicalEntity"], "name": "ABCIXIMAB", "synonym": ["Abciximab", "Abciximab", "Abciximab", "Abciximab", "Abciximab", "Abciximab (genetical recombination)", "Abciximab", "Abciximab", "C7E3", "Reopro", "Abciximab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2093869", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-IIb/beta-3"}
{"id": "CHEMBL.COMPOUND:CHEMBL1174", "category": ["biolink:ChemicalEntity"], "name": "EPTIFIBATIDE", "xref": ["InChIKey:CZKPOZZJODAYPZ-LROMGURASA-N", "SMILES:N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O"], "synonym": ["Eptifibatide", "Eptifibatide", "Eptifibatide", "Eptifibatide", "Eptifibatide", "Eptifibatide", "Eptifibatida", "Eptifibatide", "Eptifibatide", "Integrelin", "Eptifibatide", "Eptifibatide accord", "Integrilin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3189072", "category": ["biolink:ChemicalEntity"], "name": "TIROFIBAN HYDROCHLORIDE", "xref": ["InChIKey:HWAAPJPFZPHHBC-FGJQBABTSA-N", "SMILES:CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl.O"], "synonym": ["Tirofiban hydrochloride", "Tirofiban hydrochloride anhydrous", "Tirofiban hydrochloride monohydrate", "Tirofiban hcl", "Tirofiban hydrochloride", "Tirofiban hydrochloride anhydrous", "Tirofiban hydrochloride monohydrate", "L-700,462", "L-700462", "MK-383", "Aggrastat", "Tirofiban hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1503", "category": ["biolink:ChemicalEntity"], "name": "OMEPRAZOLE", "xref": ["InChIKey:SUBDBMMJDZJVOS-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1"], "synonym": ["Omeprazole", "Omeprazole", "Omeprazole", "Omeprazole", "Omeprazole", "Omeprazol", "Omeprazole", "Omeprazole", "Omeprazole", "H 168/68", "H-168/68", "NSC-751450", "NSC-759192", "Antra", "Losec", "Losec mups", "Mezzopram", "Mopral", "Omeprazole", "Omeprazole component of konvomep", "Omeprazole component of pa-32540", "Omeprazole component of yosprala", "Omeprazole component of zegerid", "Omeran", "Prilosec", "Zanprol", "Omeprazole", "Omeprazole"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.TARGET:CHEMBL2095173", "category": ["biolink:MacromolecularComplex"], "name": "Potassium-transporting ATPase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201863", "category": ["biolink:ChemicalEntity"], "name": "DEXLANSOPRAZOLE", "xref": ["InChIKey:MJIHNNLFOKEZEW-RUZDIDTESA-N", "SMILES:Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2ccccc2[nH]1"], "synonym": ["Dexlansoprazole", "Dexlansoprazole", "Dexlansoprazole", "Dexlansoprazol", "Lansoprazole r-form", "(r)-lansoprazole", "Dexlansoprazole", "Kapidex", "Lansoprazole, (r)-", "NSC-758710", "T-168390", "TAK-390", "Dexilant", "Dexilant solutab", "Dexlansoprazole"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1567328", "category": ["biolink:ChemicalEntity"], "name": "OMEPRAZOLE MAGNESIUM", "xref": ["InChIKey:KWORUUGOSLYAGD-UHFFFAOYSA-N", "SMILES:COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]"], "synonym": ["Omeprazole magnesium", "Omeprazole magnesium salt", "Omeprazole (as magnesium)", "Omeprazole magnesium", "H 168/68 MAGNESIUM", "H-168/68 MAGNESIUM", "Omeprazole magnesium", "Omeprazole magnesium component of talicia", "Prilosec", "Prilosec otc", "Omeprazole magnesium", "Omeprazole magnesium"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200930", "category": ["biolink:ChemicalEntity"], "name": "RABEPRAZOLE SODIUM", "xref": ["InChIKey:KRCQSTCYZUOBHN-UHFFFAOYSA-N", "SMILES:COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+]"], "synonym": ["Rabeprazole sodium", "Rabeprazole sodium", "Rabeprazole sodium", "Rabeprazole sodium salt", "Idiazole", "Rabeprazole na", "Rabeprazole sodium", "Sodium rabeprazole", "E-3810", "E-3810 SODIUM", "LY-307640 SODIUM", "LY307640 SODIUM", "NSC-759270", "Aciphex", "Aciphex sprinkle", "Pariet", "Rabeprazole sodium", "Rabeprazole sodium", "Rabeprazole sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989559", "category": ["biolink:ChemicalEntity"], "name": "PANTOPRAZOLE SODIUM", "xref": ["InChIKey:CGJRLPRCWSHOFU-UHFFFAOYSA-N", "SMILES:COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.O.[Na+]"], "synonym": ["Pantoprazole sodium", "Pantoprazole sodium", "Pantoprazole sodium hydrate", "Controloc control", "Pantoprazole (as sodium)", "Pantoprazole sodium", "Pantoprazole sodium hydrate", "Pantoprazole sodium sesquihydrate", "Pantozol control", "Somac control", "Controloc control", "Pantecta control", "Pantoloc control", "Pantoprazole sodium", "Pantozol control", "Protonix", "Protonix iv", "Somac control", "Pantoprazole sodium", "Pantoprazole sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL480", "category": ["biolink:ChemicalEntity"], "name": "LANSOPRAZOLE", "xref": ["InChIKey:MJIHNNLFOKEZEW-UHFFFAOYSA-N", "SMILES:Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1"], "synonym": ["Lansoprazole", "Lansoprazole", "Lansoprazole", "Lansoprazole", "Lansoprazole", "Lansoprazol", "Lansoprazole", "Lansoprazole", "Agopton", "Lansoprazole", "Lansox", "Lanzoprazole", "Lanzor", "Limpidex", "Ogast", "Ogastoro", "Prevonco", "Takepron", "A-65006", "AG-1749", "NSC-758638", "Lansoprazole", "Lansoprazole component of prevpac", "Opiren", "Prevacid", "Prevacid 24 hr", "Prevacid delayed release", "Prevacid iv", "Prevacid solutab", "Zoton", "Lansoprazole", "Lansoprazole"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200470", "category": ["biolink:ChemicalEntity"], "name": "ESOMEPRAZOLE SODIUM", "xref": ["InChIKey:RYXPMWYHEBGTRV-JIDHJSLPSA-N", "SMILES:COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Na+]"], "synonym": ["Esomeprazole sodium", "Esomeprazole (as sodium)", "Esomeprazole sodium", "H199/18 SODIUM", "Esomeprazole sodium", "Nexium iv", "Esomeprazole sodium"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314366", "category": ["biolink:ChemicalEntity"], "name": "ESOMEPRAZOLE MAGNESIUM", "xref": ["InChIKey:ARGAGMTUBUKMOG-OXLUMUBXSA-N", "SMILES:COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.O.O.O.[Mg+2]"], "synonym": ["Esomeprazole (as magnesium trihydrate)", "Esomeprazole magnesium", "Esomeprazole magnesium", "Esomeprazole magnesium hydrate", "Esomeprazole (as magnesium)", "Esomeprazole magnesium", "Esomeprazole magnesium hydrate", "Esomeprazole magnesium trihydrate", "H199/18 MAGNESIUM TRIHYDRATE", "Emozul", "Esomeprazole magnesium", "Esomeprazole magnesium component of pn400", "Esomeprazole magnesium component of vimovo", "Nexium", "Nexium 24hr", "Nexium control", "Nexium i.v.", "Ventra", "Esomeprazole magnesium", "Esomeprazole magnesium"], "chembl_prodrug": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL18", "category": ["biolink:ChemicalEntity"], "name": "ETHOXZOLAMIDE", "xref": ["InChIKey:OUZWUKMCLIBBOG-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(S(N)(=O)=O)sc2c1"], "synonym": ["Ethoxzolamide", "NSC-10679", "Cardrase", "Ethamide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2095180", "category": ["biolink:ProteinFamily"], "name": "Carbonic anhydrase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201470", "category": ["biolink:ChemicalEntity"], "name": "HYDROCODONE POLISTIREX", "synonym": ["Hydrocodone polistirex", "Hydrocodone polistirex", "Hydrocodone polistirex"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2095181", "category": ["biolink:ProteinFamily"], "name": "Opioid receptors; mu/kappa/delta"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201463", "category": ["biolink:ChemicalEntity"], "name": "CODEINE POLISTIREX", "synonym": ["Codeine polistirex", "Codeine polistirex component of codeprex", "Codeine polistirex component of penntuss", "Codeine polistirex"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200794", "category": ["biolink:ChemicalEntity"], "name": "OXYMORPHONE HYDROCHLORIDE", "xref": ["InChIKey:BCGJBQBWUGVESK-KCTCKCTRSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl"], "synonym": ["Oxymorphone hydrochloride", "Oxymorphone hydrochloride", "Oxymorphone hcl", "Oxymorphone hydrochloride", "Numorphan", "Opana", "Opana er", "Oxymorphone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL19019", "category": ["biolink:ChemicalEntity"], "name": "NALTREXONE", "xref": ["InChIKey:DQCKKXVULJGBQN-XFWGSAIBSA-N", "SMILES:O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"], "synonym": ["Naltrexone", "Naltrexone", "Naltrexone", "Naltrexone", "Naltrexona", "Naltrexone", "Naltrexone", "EN-1639A FREE BASE", "EN-1639A [AS HYDROCHLORIDE]", "NSC-758439", "Celupan", "Trexal", "Vivitrol", "Naltrexone", "Naltrexone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067642", "category": ["biolink:ChemicalEntity"], "name": "CODEINE PHOSPHATE", "xref": ["InChIKey:DKSZLDSPXIWGFO-BLOJGBSASA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.O.O=P(O)(O)O.O=P(O)(O)O"], "synonym": ["Codeine phosphate", "Codeine phosphate", "Codeine phosphate hydrate", "Codeine phosphate", "Codeine phosphate", "Codeine phosphate anhydrous", "Codeine phosphate bp", "Codeine phosphate hemihydrate", "Codeini phosphas", "Ambenyl cough syrup", "Bepro", "Codeine phosphate component of ambenyl", "Codeine phosphate component of bromanate dc", "Codeine phosphate component of bromanyl", "Codeine phosphate component of codrix", "Codeine phosphate component of dimetane-dc", "Codeine phosphate component of myphetane dc", "Codeine phosphate component of triacin-c", "Colrex compound", "Evacode", "Galcodine", "Codeine phosphate cii"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297091", "category": ["biolink:ChemicalEntity"], "name": "CODEINE SULFATE", "xref": ["InChIKey:BOLDZXRCJAJADM-AAXBYHQXSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.O.O.O.O=S(=O)(O)O"], "synonym": ["Codeine sulfate", "Codeine sulfate", "Codeine hemisulfate sesquihydrate", "Codeine sulfate", "Codeine sulfate anhydrous", "Codeine sulfate trihydrate", "Codeine sulphate", "Dicodeine monosulfate trihydrate", "Codeine sulfate", "Codeine sulfate cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201149", "category": ["biolink:ChemicalEntity"], "name": "NALTREXONE HYDROCHLORIDE", "xref": ["InChIKey:RHBRMCOKKKZVRY-ITLPAZOVSA-N", "SMILES:Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"], "synonym": ["Naltrexone hydrochloride", "Naltrexone hydrochloride", "Naltrexone hydrochloride", "Naltrexone hcl", "Naltrexone hydrochloride", "Trexan", "EN-1639A", "EN-1639A (AS HYDROCHLORIDE)", "Adepend", "Depade", "Nalorex", "Naltrexone hydrochloride", "Naltrexone hydrochloride component of contrave", "Naltrexone hydrochloride component of embeda", "Naltrexone hydrochloride component of troxyca", "Opizone", "Revia"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201132", "category": ["biolink:ChemicalEntity"], "name": "NALBUPHINE HYDROCHLORIDE", "xref": ["InChIKey:YZLZPSJXMWGIFH-BCXQGASESA-N", "SMILES:Cl.Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314"], "synonym": ["Nalbuphine hydrochloride", "Nalbuphine hydrochloride", "Nalbuphine hydrochloride", "Nalbufine hydrochloride", "Nalbuphine hcl", "Nalbuphine hydrochloride", "EN-2234A", "NSC-757829", "Nalbuphine hydrochloride", "Nubain", "Nalbuphine hydrochloride"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1718", "category": ["biolink:ChemicalEntity"], "name": "NALOXONE HYDROCHLORIDE", "xref": ["InChIKey:RGPDIGOSVORSAK-STHHAXOLSA-N", "SMILES:C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl"], "synonym": ["Naloxone hydrochloride", "Naloxone hydrochloride", "Naloxone hydrochloride", "Naloxone hydrochloride", "Anhydrous naloxone hydrochloride", "Naloxone hcl", "Naloxone hydrochloride", "Naloxone hydrochloride anhydrous", "Naloxoni hydrochloridum anhydrous", "Narcanti", "Rezenopy", "Rivive", "EN-15304", "NIH 7890", "NSC-757109", "Evzio", "Evzio (autoinjector)", "Kloxxado", "Naloxone hydrochloride", "Naloxone hydrochloride (autoinjector)", "Naloxone hydrochloride component of bunavail", "Naloxone hydrochloride component of cassipa", "Naloxone hydrochloride component of suboxone", "Naloxone hydrochloride component of talwin nx", "Naloxone hydrochloride component of targiniq", "Naloxone hydrochloride component of zubsolv", "Narcan", "Narcan neonatal", "Narconil", "Prenoxad", "Rextovy", "Rezenopy", "Rivive", "Zimhi", "Naloxone hydrochloride", "Naloxone hydrochloride"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989677", "category": ["biolink:ChemicalEntity"], "name": "HYDROCODONE BITARTRATE", "xref": ["InChIKey:IUAXSWPNEQYKDR-GXTZACRKSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314.O.O.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Hydrocodone bitartrate", "Hydrocodone bitartrate hemipentahydrate", "Dihydrocodeinone bitartrate", "Hycodan", "Hydrocodone bitartrate", "Hydrocodone tartrate", "Vantrela", "Zohydro", "CEP-33237", "Dicodid", "Hycofenix componenet of hydrocodone bitartrate", "Hydrocodone bitartrate component of allay", "Hydrocodone bitartrate component of anexsia", "Hydrocodone bitartrate component of azdone", "Hydrocodone bitartrate component of bancap hc", "Hydrocodone bitartrate component of co-gesic", "Hydrocodone bitartrate component of codamine", "Hydrocodone bitartrate component of duradyne dhc", "Hydrocodone bitartrate component of flowtuss", "Hydrocodone bitartrate component of hy-phen", "Hydrocodone bitartrate component of hycodan", "Hydrocodone bitartrate component of hycofenix", "Hydrocodone bitartrate component of hycomine", "Hydrocodone bitartrate component of hydropane", "Hydrocodone bitartrate component of lorcet-hd", "Hydrocodone bitartrate component of lortab", "Hydrocodone bitartrate component of norcet", "Hydrocodone bitartrate component of norco", "Hydrocodone bitartrate component of obredon", "Hydrocodone bitartrate component of reprexain", "Hydrocodone bitartrate component of rezira", "Hydrocodone bitartrate component of tussigon", "Hydrocodone bitartrate component of tycolet", "Hydrocodone bitartrate component of vicodin", "Hydrocodone bitartrate component of vicoprin", "Hydrocodone bitartrate component of vicoprofen", "Hydrocodone bitartrate component of vituz", "Hydrocodone bitartrate component of xtrelus", "Hydrocodone bitartrate component of zutripro", "Hydrocodone bitartrate component of zydone", "Hysingla", "Hysingla er", "Mercodinone", "Vantrela er", "Zohydro er", "Hydrocodone bitartrate", "Hydrocodone bitartrate", "Hydrocodone bitartrate cii"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2095182", "category": ["biolink:MacromolecularComplex"], "name": "Tubulin"}
{"id": "CHEMBL.COMPOUND:CHEMBL1742994", "category": ["biolink:ChemicalEntity"], "name": "BRENTUXIMAB VEDOTIN", "synonym": ["Brentuximab vedotin", "Brentuximab vedotin", "Brentuximab vedotin", "Brentuximab vedotin", "Brentuximab vedotine", "Brentuximab vedotina", "Brentuximab vedotin brentuximab", "Brentuximab vedotin", "Cac10-1006(4)", "Cac10-vcmmae(4)", "Monoclonal antibody sgn-30", "Sgn 30", "CAC-10", "CAC10", "CAC10-VCMMAE", "SGN-35", "Adcetris", "Brentuximab vedotin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL428647", "category": ["biolink:ChemicalEntity"], "name": "PACLITAXEL", "xref": ["InChIKey:RCINICONZNJXQF-MZXODVADSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"], "synonym": ["Paclitaxel", "Paclitaxel", "Paclitaxel", "Paclitaxel", "Paclitaxel", "Paclitaxel", "Paclitaxel", "Paclitaxel", "(-)-paclitaxel", "Capxol", "Cyclopax", "Ebetaxel", "Empac", "Endotag 1", "Genaxol", "Genetaxyl", "Genexol", "Genexol-pm", "Intaxel", "Lep-etu", "Mitotax", "Oncogel", "Onxal", "Onxol", "Pacliex", "Paclitaxel", "Paclitaxel (taxus canadensis)", "Paclitaxol", "Plaxicel", "Taxalbin", "Taxol", "Taxol a", "Taxus", "Taxus liberte", "Taxus stent", "Tocosol paclitaxel", "Yewtaxan", "ABI-007", "BMS 181339-01", "BMS-181339-01", "DHP 107", "DHP-107", "MBT 0206", "MBT-0206", "NK 105", "NK-105", "NSC-125973", "PACLITAXEL COMPONENT OF ABI-007", "QW-8184", "Abraxane", "Apealea", "Apexelsin", "Naveruclif", "Pacitaxel", "Paclitaxel", "Paclitaxel component of abi 007", "Paclitaxel component of abraxane", "Paclitaxel component of nab-", "Paclitaxel component of oraxol", "Paxene", "Pazenir", "Taxol", "Taxol 100", "Zisu", "Paclitaxel", "Paclitaxel"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545252", "category": ["biolink:ChemicalEntity"], "name": "DOCETAXEL", "xref": ["InChIKey:XCDIRYDKECHIPE-QHEQPUDQSA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C.O.O.O"], "synonym": ["Docetaxel", "Docetaxel", "Docetaxel", "Docetaxel", "Docetaxel trihydrate", "Docetaxel", "Docetaxel", "Docetaxel", "Docetaxel hydrate", "Docetaxel", "Docetaxel trihydrate", "Docetaxel", "Docetaxel (as trihydrate)", "Docetaxel hydrate", "RP 56976", "RP-56976", "XRP6976", "Beizray", "Docetaxel", "Docetaxel accord", "Docetaxel teva", "Docetaxel zentiva (previously docetaxel winthrop)", "Docivyx", "Taxceus", "Taxespira (previously docetaxel hospira uk limited )", "Taxotere", "Docetaxel", "Docetaxel"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1683544", "category": ["biolink:ChemicalEntity"], "name": "ERIBULIN MESYLATE", "xref": ["InChIKey:QAMYWGZHLCQOOJ-WRNBYXCMSA-N", "SMILES:C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@@H]3[C@@H](OC)[C@@H](C[C@H](O)CN)O[C@H]3C[C@H]3O[C@@H](CC[C@@H]1O2)C[C@@H](C)C3=C.CS(=O)(=O)O"], "synonym": ["Eribulin mesylate", "Eribulin mesylate", "Eribulin mesilate", "Eribulin monomethanesulfonate", "Eribulin (as mesylate)", "Eribulin mesilate", "Eribulin mesylate", "E-7389", "E7389", "NSC-707389", "Eribulin baxter", "Halaven", "Mevlyq", "Eribulin mesylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201748", "category": ["biolink:ChemicalEntity"], "name": "CABAZITAXEL", "xref": ["InChIKey:BMQGVNUXMIRLCK-OAGWZNDDSA-N", "SMILES:CO[C@H]1C(=O)[C@]2(C)[C@@H](OC)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C"], "synonym": ["Cabazitaxel", "Cabazitaxel", "Cabazitaxel", "Cabazitaxel", "Cabazitaxel acetonate", "Cabazitaxel", "Cabazitaxel", "Jevtana", "NSC-761432", "TXD 258", "TXD-258", "TXD258", "XRP 6258", "XRP-6258", "XRP6258", "Cabazitaxel accord", "Jevtana", "Jevtana kit", "Cabazitaxel"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL107", "category": ["biolink:ChemicalEntity"], "name": "COLCHICINE", "xref": ["InChIKey:IAKHMKGGTNLKSZ-INIZCTEOSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2"], "synonym": ["Colchicine", "Colchicine", "Colchicine", "Colchicine", "(-)-colchicine", "Colchcine", "Colchicine", "Colchicinum", "Colchineos", "Colchisol", "Lodoco", "NSC-757", "Colchicine component of col-probenecid", "Colchicine component of colbenemid", "Colchicine component of mitigare", "Colchicine component of proben-c", "Colcrys", "Gloperba", "Lodoco", "Mitigare"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201752", "category": ["biolink:ChemicalEntity"], "name": "IXABEPILONE", "xref": ["InChIKey:FABUFPQFXZVHFB-PVYNADRNSA-N", "SMILES:C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1"], "synonym": ["Ixabepilone", "Ixabepilone", "Ixabepilone", "Ixabepilona", "Ixabepilone", "Ixabepilone", "Azaepothilone b", "Ixabepilone", "Ixempra", "BMS 247550-01", "BMS-247550", "BMS-247550-01", "NSC-747973", "Ixempra kit", "Ixabepilone", "Ixabepilone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL501867", "category": ["biolink:ChemicalEntity"], "name": "VINCRISTINE SULFATE", "xref": ["InChIKey:AQTQHPDCURKLKT-JKDPCDLQSA-N", "SMILES:CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O"], "synonym": ["Vincristine sulfate", "Vincristine sulfate", "Vincristine sulfate", "Vincristine sulfate", "Kyocristine", "Marqibo", "Novopharm", "Vincristine sulfate", "Vincristine sulfate liposome", "Vincristine sulphate", "Vincristini sulfas", "Vincrisul", "37231", "LILLY-37231", "NSC-67574", "Leurocristine sulfate", "Marqibo kit", "Oncovin", "Vincasar pfs", "Vincrex", "Vincristine sulfate", "Vincristine sulfate pfs", "Vincristine sulfate", "Vincristine sulfate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL538943", "category": ["biolink:ChemicalEntity"], "name": "VINORELBINE TARTRATE", "xref": ["InChIKey:CILBMBUYJCWATM-UDRBCWGGSA-N", "SMILES:CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Vinorelbine tartrate", "Vinorelbine ditartrate", "Vinorelbine ditartrate", "Liposomal vinorelbine tartrate", "Vinorelbine (as tartrate)", "Vinorelbine ditartarate", "Vinorelbine liposomal", "Vinorelbine tartrate", "Vinorelbine tartrate (1:2)", "TLC-178", "TLC178", "Navelbine", "Vinorelbine tartrate", "Vinorelbine tartrate", "Vinorelbine tartrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL378544", "category": ["biolink:ChemicalEntity"], "name": "VINBLASTINE SULFATE", "xref": ["InChIKey:KDQAABAKXDWYSZ-PNYVAJAMSA-N", "SMILES:CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O"], "synonym": ["Vinblastine sulfate", "Vinblastine sulfate", "Vinblastine sulfate", "Vinblastine sulfate", "Alkaban-aq", "Vinblastine sulfate", "Vinblastine sulphate", "Vinblastini sulfas", "Vincaleukoblastine sulfate", "Vlb monosulfate", "29060-LE", "29060LE", "NSC-49842", "Velban", "Velbe", "Vinblast,lederle", "Vinblastine sulfate", "Vinblastine sulfate", "Vinblastine sulfate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201607", "category": ["biolink:ChemicalEntity"], "name": "NATALIZUMAB", "synonym": ["Natalizumab", "Natalizumab", "Natalizumab", "Natalizumab", "Natalizumab", "Natalizumab", "Natalizumab", "Antegren", "Natalizumab", "AN100226M", "ANTEGRAN", "Natalizumab elan pharma", "Tyruko", "Tysabri", "Natalizumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2095184", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-4/beta-7"}
{"id": "CHEMBL.TARGET:CHEMBL2095188", "category": ["biolink:ProteinFamily"], "name": "Glycogen synthase kinase-3"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201556", "category": ["biolink:ChemicalEntity"], "name": "BECAPLERMIN", "synonym": ["Becaplermin", "Becaplermin", "Becaplermin", "Becaplermin", "Becaplermin", "Becaplermin", "Becaplermine", "Becaplermina", "Platelet-derived growth factor becaplermin", "Becaplermin", "Gemesis", "Pdgf-2", "Pdgf-bb", "Pdgfb", "Platelet derived growth factor-bb", "Sh-polypeptide-59", "GEM 21S", "GEM-21S", "RWJ 60235", "RWJ-60235", "Bf-platelet derived growth factor .beta. polypeptide", "Regranex", "Becaplermin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2095189", "category": ["biolink:MacromolecularComplex"], "name": "Platelet-derived growth factor receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105708", "category": ["biolink:ChemicalEntity"], "name": "PONATINIB HYDROCHLORIDE", "xref": ["InChIKey:BWTNNZPNKQIADY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cl"], "synonym": ["Ponatinib hydrochloride", "Ponatinib hydrochloride", "Ponatinib hydrochloride", "Ponatinib hydrochloride", "Ponatinib hydrochloride", "AP-24534 HCL", "AP24534 HCL", "Iclusig", "Ponatinib hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Bcr/Abl fusion protein", "id": "CHEMBL.TARGET:CHEMBL2096618", "category": ["biolink:Protein"]}
{"id": "CHEMBL.COMPOUND:CHEMBL723", "category": ["biolink:ChemicalEntity"], "name": "CARVEDILOL", "xref": ["InChIKey:OGHNVEJMJSYVRP-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12"], "synonym": ["Carvedilol", "Carvedilol", "Carvedilol", "Carvedilol", "Carvedilol", "Carvedilol", "Carvedilol", "Carvedilol", "Coronis", "Dilatrend", "Dimitone", "Eucardic", "Korvasan", "Kredex", "Talliton", "BM 14.190", "BM-14-190", "BM-14.190", "BM-14190", "C07AG02", "DQ-2466", "NSC-758694", "SK&F-105517", "SKF-105517", "Artist", "Carvedilol", "Coreg", "Eucardic 12.5", "Eucardic 25", "Eucardic 3.125", "Eucardic 6.25", "Querto", "Carvedilol", "Carvedilol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2094118", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor beta"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201167", "category": ["biolink:ChemicalEntity"], "name": "CARVEDILOL PHOSPHATE", "xref": ["InChIKey:XCPXNPBILMXKNX-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O=P(O)(O)O"], "synonym": ["Carvedilol phosphate", "Carvedilol phosphate hydrate", "Carvedilol phosphate", "Carvedilol phosphate hemihydrate", "Carvedilol phosphate hydrate", "SK&F-105517-D", "SKF 105517D", "SKF-105517D", "Coreg cr", "Carvedilol phosphate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989521", "category": ["biolink:ChemicalEntity"], "name": "ISOPROTERENOL SULFATE", "xref": ["InChIKey:CUQPTVCVZLUXJB-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1ccc(O)c(O)c1.CC(C)NCC(O)c1ccc(O)c(O)c1.O.O.O=S(=O)(O)O"], "synonym": ["Isoproterenol sulfate", "Isoprenaline sulfate", "Isoproterenol dl-form sulfate dihydrate", "Aludrin", "Isomist", "Isoprenaline sulfate", "Isoprenaline sulfate dihydrate", "Isoprenaline sulphate", "Isoprenalini sulfas", "Isoproterenol sulfate anhydrous", "Isoproterenol sulfate dihydrate", "Isoproterenol sulphate", "Propal", "Medihaler-iso", "Norisodrine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201002", "category": ["biolink:ChemicalEntity"], "name": "CARTEOLOL HYDROCHLORIDE", "xref": ["InChIKey:FYBXRCFPOTXTJF-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2.Cl"], "synonym": ["Carteolol hydrochloride", "Carteolol hydrochloride", "Carteolol hydrochloride", "Carteolol hcl", "ABBOTT-43326", "NSC-300906", "OPC-1085", "Carteolol hydrochloride", "Cartrol", "Ocupress", "Teoptic", "Carteolol hydrochloride", "Carteolol hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1711", "category": ["biolink:ChemicalEntity"], "name": "ISOPROTERENOL HYDROCHLORIDE", "xref": ["InChIKey:IROWCYIEJAOFOW-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1ccc(O)c(O)c1.Cl"], "synonym": ["Isoproterenol hydrochloride", "Dl-isoprenaline hydrochloride", "Isoproterenol dl-form hydrochloride", "Aerotrol", "Dl-isoprenaline hydrochloride", "Euspiran", "Isomenyl", "Isoprenaline hydrochloride", "Isoprenaline hydrochloride, dl-", "Isoproterenol hcl", "Isoproterenol hydrochloride", "Isovon", "Mistarel", "Suscardia", "NSC-37745", "NSC-89747", "Aerolone", "Imuprel", "Isoproterenol hydrochloride", "Isoproterenol hydrochloride component of duo-medihaler", "Isuprel", "Norisodrine aerotrol", "Oriconazole", "Vapo-iso"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2094124", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate [NMDA] receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2068724", "category": ["biolink:ChemicalEntity"], "name": "ACAMPROSATE CALCIUM", "xref": ["InChIKey:BUVGWDNTAWHSKI-UHFFFAOYSA-L", "SMILES:CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]"], "synonym": ["Acamprosate calcium", "Acamprosate calcium", "Acamprosate calcium", "Acamprosate calcium", "Acamprosate calcium", "NSC-759186", "SN-102", "Acamprosate calcium", "Campral", "Campral ec", "Acamprosate calcium", "Acamprosate calcium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1569", "category": ["biolink:ChemicalEntity"], "name": "AMANTADINE HYDROCHLORIDE", "xref": ["InChIKey:WOLHOYHSEKDWQH-UHFFFAOYSA-N", "SMILES:Cl.NC12CC3CC(CC(C3)C1)C2"], "synonym": ["Amantadine hydrochloride", "Amantadine hydrochloride", "Amantadine hydrochloride", "Amantadine hydrochloride", "Adamantanamine hydrochloride", "Amantadine hcl", "Amantadine hydrochloride", "Mantadix", "Osmolex", "EXP-105-1", "NSC-83653", "Amantadine hydrochloride", "Gocovri", "Lysovir", "Mantadine", "Osmolex er", "Symadine", "Symmetrel", "Amantadine hydrochloride", "Amantadine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1699", "category": ["biolink:ChemicalEntity"], "name": "MEMANTINE HYDROCHLORIDE", "xref": ["InChIKey:LDDHMLJTFXJGPI-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl"], "synonym": ["Memantine hydrochloride", "Memantine hydrochloride", "Memantine hydrochloride", "Memantine hydrochloride", "Memantine hydrochloride", "Acrescent", "Auxura", "Balaxur", "Memantine accord", "Memantine hcl", "Memantine hydrochloride", "Memantine lek", "Memantine merz", "Memantine mylan", "Memantine ratiopharm", "Memary", "FP-01", "NSC-102290", "SUN-Y7017", "Akatinol", "Axura", "Ebixa", "Marixino", "Marixino (previously maruxa)", "Memantine accord", "Memantine hydrochloride", "Memantine hydrochloride component of namzaric", "Memantine lek", "Memantine merz", "Memantine mylan", "Memantine ratiopharm", "Namenda", "Namenda xr", "Nemdatine", "Valios", "Memantine hydrochloride", "Memantine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1094", "category": ["biolink:ChemicalEntity"], "name": "FELBAMATE", "xref": ["InChIKey:WKGXYQFOCVYPAC-UHFFFAOYSA-N", "SMILES:NC(=O)OCC(COC(N)=O)c1ccccc1"], "synonym": ["Felbamate", "Felbamate", "Felbamate", "Felbamate", "Felbamato", "Felbamate", "Felbamate", "ADD-03055", "NSC-759866", "W-554", "Felbamate", "Felbatol", "Taloxa", "Felbamate", "Felbamate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1714", "category": ["biolink:ChemicalEntity"], "name": "KETAMINE HYDROCHLORIDE", "xref": ["InChIKey:VCMGMSHEPQENPE-UHFFFAOYSA-N", "SMILES:CNC1(c2ccccc2Cl)CCCCC1=O.Cl"], "synonym": ["Ketamine hydrochloride", "Ketamine hydrochloride", "Ketamine hydrochloride", "Ketamine hydrochloride", "Ketamine (as hydrochloride)", "Ketamine hcl", "Ketamine hydrochloride", "Ketamini hydrochloridum", "Special k", "Vetalar", "CI-581", "CL 369", "CL-369", "CN-52,372-2", "CN-52372-2", "CN-523722", "Ketalar", "Ketamine hydrochloride", "Ketaset", "Ketamine hydrochloride", "Ketamine hydrochloride", "Ketamine hydrochloride ciii"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2094125", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 3"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200759", "category": ["biolink:ChemicalEntity"], "name": "ANAGRELIDE HYDROCHLORIDE", "xref": ["InChIKey:TVWRQCIPWUCNMI-UHFFFAOYSA-N", "SMILES:Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1"], "synonym": ["Anagrelide hydrochloride", "Anagrelide hydrochloride", "Anagrelide hydrochloride", "Anagrelide hydrochloride hydrate", "Anagrelide hydrochloride monohydrate", "Anagrelide hcl", "Anagrelide hydrochloride", "Anagrelide hydrochloride monohydrate", "Thromboreductin", "BL-4162A", "BMY-26538-01", "NSC-724577", "NSC-759170", "Agrelin", "Agrylin", "Anagrelide hydrochloride", "Anagrelide mylan", "Anagrelide viatris (previously anagrelide mylan)", "Xagrid", "Anagrelide hydrochloride", "Anagrelide hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1218", "category": ["biolink:ChemicalEntity"], "name": "RAMELTEON", "xref": ["InChIKey:YLXDSYKOBKBWJQ-LBPRGKRZSA-N", "SMILES:CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3"], "synonym": ["Ramelteon", "Ramelteon", "Ramelteon", "Ramelteon", "Ramelteon", "Ramelteon", "TAK-375", "TAK375", "Ramelteon", "Rozerem", "Ramelteon"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2094268", "category": ["biolink:ProteinFamily"], "name": "Melatonin receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200389", "category": ["biolink:ChemicalEntity"], "name": "BRIMONIDINE TARTRATE", "xref": ["InChIKey:QZHBYNSSDLTCRG-LREBCSMRSA-N", "SMILES:Brc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)[C@H](O)[C@@H](O)C(=O)O"], "synonym": ["Brimonidine tartrate", "Brimonidine tartrate", "Brimonidine tartrate", "Brimonidine tartrate", "Brimonidine d-tartrate", "Brimonidine tartrate", "Bromoxidine tartrate", "Cd-07805", "AGN 190342-LF", "AGN-190342-LF", "AGN-190342LF", "CD-07805/47", "CD07805/47", "OCU-300", "OCU300", "UK-14304-18", "UK-1430418", "Alphagan", "Alphagan p", "Brimonidine tartrate", "Brimonidine tartrate component of combigan", "Brimonidine tartrate component of simbrinza", "Brymont", "Lumify", "Lumify preservative free", "Mirvaso", "Qoliana", "Brimonidine tartrate", "Brimonidine tartrate"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.TARGET:CHEMBL2095158", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor alpha-2"}
{"id": "CHEMBL.COMPOUND:CHEMBL2106195", "category": ["biolink:ChemicalEntity"], "name": "DEXMEDETOMIDINE HYDROCHLORIDE", "xref": ["InChIKey:VPNGEIHDPSLNMU-MERQFXBCSA-N", "SMILES:Cc1cccc([C@H](C)c2c[nH]cn2)c1C.Cl"], "synonym": ["Dexmedetomidine hydrochloride", "Dexmedetomidine hydrochloride", "Dexmedetomidine hydrochloride", "Dexmedetomidine hydrochloride", "Cepedex", "Dexdomitor", "Dexdor", "Dexmedetomidine hcl", "Dexmedetomidine hydrochloride", "Igalmi", "Sedadex", "Sileo", "Cepedex", "Dexdomitor", "Dexdor", "Dexmedetomidine accord", "Dexmedetomidine hydrochloride", "Igalmi", "Precedex", "Sedadex", "Sileo", "Dexmedetomidine hydrochloride", "Dexmedetomidine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200329", "category": ["biolink:ChemicalEntity"], "name": "TIZANIDINE HYDROCHLORIDE", "xref": ["InChIKey:ZWUKMNZJRDGCTQ-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2nsnc2c1NC1=NCCN1"], "synonym": ["Tizanidine hydrochloride", "Tizanidine hydrochloride", "Tizanidine hydrochloride", "Tizanidine hydrochloride", "Tizanidine (as hydrochloride)", "Tizanidine hcl", "Tizanidine hydrochloride", "AN-021", "AN021", "DS 103-282", "DS-103-282", "Sirdalud", "Sirdalud mr", "Tizanidine hydrochloride", "Zanaflex", "Tizanidine hydrochloride", "Tizanidine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1705", "category": ["biolink:ChemicalEntity"], "name": "CLONIDINE HYDROCHLORIDE", "xref": ["InChIKey:ZNIFSRGNXRYGHF-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(Cl)c1NC1=NCCN1"], "synonym": ["Clonidine hydrochloride", "Clonidine hydrochloride", "Clonidine hydrochloride", "Clonidine hydrochloride", "Clonidine hydrochloride", "Clonidine hcl", "Clonidine hydrochloride", "Dichloranilino imidazolin", "Onyda xr", "NSC-756699", "ST-155", "Catapres", "Catapres p.l.", "Catapres tts 1", "Catapres tts 2", "Catapres tts 3", "Clonidine hydrochloride", "Clonidine hydrochloride component of clorpres", "Clonidine hydrochloride component of combipres", "Dixarit", "Duraclon", "Jenloga", "Kapvay", "Onyda xr", "Clonidine hydrochloride", "Clonidine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200432", "category": ["biolink:ChemicalEntity"], "name": "METHYLDOPATE HYDROCHLORIDE", "xref": ["InChIKey:QSRVZCCJDKYRRF-YDALLXLXSA-N", "SMILES:CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.Cl"], "synonym": ["Methyldopate hydrochloride", "Methyldopate hydrochloride", "Methyldopa l-form ethyl ester hydrochloride", "Methyldopate hcl", "Methyldopate hydrochloride", "NSC-760088", "Aldomet", "Methyldopate hydrochloride", "Methyldopate hydrochloride", "Methyldopate hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200494", "category": ["biolink:ChemicalEntity"], "name": "GUANFACINE HYDROCHLORIDE", "xref": ["InChIKey:DGFYECXYGUIODH-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl"], "synonym": ["Guanfacine hydrochloride", "Guanfacine hydrochloride", "Guanfacine hydrochloride", "Guanfacine hydrochloride", "Guanfacine hydrochloride", "Guafacine hydrochloride", "Guanfacine hcl", "Guanfacine hydrochloride", "BS 100-141", "BS-100-141", "SPD503", "Akfen", "Estulic", "Guanfacine hydrochloride", "Intuniv", "Tenex", "Guanfacine hydrochloride", "Guanfacine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL134", "category": ["biolink:ChemicalEntity"], "name": "CLONIDINE", "xref": ["InChIKey:GJSURZIOUXUGAL-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cl)c1NC1=NCCN1"], "synonym": ["Clonidine", "Clonidine", "Clonidine", "Clonidine", "Clonidina", "Clonidine", "Clonidine", "Catarpres-tts", "Clonidine", "Clonidine extended release", "Clorpres", "Combipres", "ST-155-BS", "ST-155BS", "Catapres-tts-1", "Catapres-tts-2", "Catapres-tts-3", "Clonidine", "Nexiclon xr", "Clonidine", "Clonidine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200379", "category": ["biolink:ChemicalEntity"], "name": "APRACLONIDINE HYDROCHLORIDE", "xref": ["InChIKey:OTQYGBJVDRBCHC-UHFFFAOYSA-N", "SMILES:Cl.Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1"], "synonym": ["Apraclonidine hydrochloride", "Aplonidine hydrochloride", "Apraclonidine hcl", "Apraclonidine hydrochloride", "AL-02145", "AL02145", "Apraclonidine hydrochloride", "Iopidine", "Apraclonidine hydrochloride", "Apraclonidine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL459", "category": ["biolink:ChemicalEntity"], "name": "METHYLDOPA", "xref": ["InChIKey:CJCSPKMFHVPWAR-JTQLQIEISA-N", "SMILES:C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O"], "synonym": ["Methyldopa (levorotatory)", "Methyldopa", "Methyldopa", "Methyldopa", "Methyldopa", "Metildopa", "Methyldopa", "Methyldopa hydrate", "Methyldopa", "Methyldopa sesquihydrate", "(-)-.alpha.-methyldopa", "(s)-(-)-.alpha.-methyldopa", ".alpha.-methyl-l-dopa", "Alpha-methyldopa", "Anhydrous methyldopa", "L-.alpha.-methyldopa", "Methyldopa", "Methyldopa anhydrous", "Methyldopa sesquihydrate", "Methyldopa, anhydrous", "BAYER-1440L", "J9.247I", "MK-351", "NSC-169916", "NSC-760080", "Aldomet", "Dopamet", "Dopegyt", "Lederdopa", "Medomet", "Medopren", "Metalpha 250", "Metalpha 500", "Methyldopa", "Methyldopa component of aldoril", "Presinol", "Methyldopa", "Methyldopa"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200560", "category": ["biolink:ChemicalEntity"], "name": "GUANABENZ ACETATE", "xref": ["InChIKey:MCSPBPXATWBACD-GAYQJXMFSA-N", "SMILES:CC(=O)O.N=C(N)N/N=C/c1c(Cl)cccc1Cl"], "synonym": ["Guanabenz acetate", "Guanabenz acetate", "Guanabenz monoacetate", "Guanabenz acetate", "NSC-757044", "WY-8678 ACETATE", "Guanabenz acetate", "Wytensin", "Guanabenz acetate", "Guanabenz acetate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL677", "category": ["biolink:ChemicalEntity"], "name": "LEVONORDEFRIN", "xref": ["InChIKey:GEFQWZLICWMTKF-CDUCUWFYSA-N", "SMILES:C[C@H](N)[C@H](O)c1ccc(O)c(O)c1"], "synonym": ["Levonordefrin", "Corbadrine", "Corbadrina", "Nordefrin (-)-form", "(-)-cobefrin", "Corbadrine", "L-.alpha.-methylnoradrenaline", "L-nordefrin", "L-norephedrine, 3,4-dihydroxy-", "Levonordefrin", "Nordefrin, l-", "BA 2818", "BA-2818", "NSC-757084", "Neo-cobefrin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2096905", "category": ["biolink:ProteinFamily"], "name": "Dopamine receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1275", "category": ["biolink:ChemicalEntity"], "name": "PERGOLIDE MESYLATE", "xref": ["InChIKey:UWCVGPLTGZWHGS-ZORIOUSZSA-N", "SMILES:CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O"], "synonym": ["Pergolide mesilate", "Pergolide mesylate", "Pergolide methanesulfonate", "Pergolide mesylate", "Pergolide methanesulfonate", "LY 127809", "LY-127809", "NSC-319773", "NSC-758442", "Celance", "Pergolide mesylate", "Permax", "Pergolide mesylate", "Pergolide mesylate"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2109241", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor ionotropic kainate"}
{"id": "CHEMBL.COMPOUND:CHEMBL3833353", "category": ["biolink:ChemicalEntity"], "name": "PRAMLINTIDE ACETATE", "xref": ["InChIKey:DTPWZYSUQQHRKD-VIUAGAKSSA-N", "SMILES:CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"], "synonym": ["Pramlintide acetate", "Pramlintide acetate", "Pramlintide acetate", "Pramlintide acetate anhydrous", "Pramlintide acetate hydrate", "Tripro-amylin acetate", "Tripro-amylin acetate hydrate", "AC0-137", "AC0137", "Symlin", "Symlinpen", "Pramlintide acetate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2111189", "category": ["biolink:MacromolecularComplex"], "name": "Amylin receptor AMY1, CALCR/RAMP1"}
{"id": "CHEMBL.TARGET:CHEMBL2111190", "category": ["biolink:MacromolecularComplex"], "name": "Amylin receptor AMY3; CALCR/RAMP3"}
{"id": "CHEMBL.TARGET:CHEMBL2094251", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor alpha-1"}
{"id": "CHEMBL.COMPOUND:CHEMBL2062264", "category": ["biolink:ChemicalEntity"], "name": "PHENYLEPHRINE BITARTRATE", "xref": ["InChIKey:NHKOTKKHHYKARN-FVGYRXGTSA-N", "SMILES:CNC[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Phenylephrine bitartrate", "Phenylephrine acid tartrate", "Phenylephrine hydrogen tartrate", "Phenylephrine bitartrate component of duo-medihaler"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1723", "category": ["biolink:ChemicalEntity"], "name": "ALFUZOSIN HYDROCHLORIDE", "xref": ["InChIKey:YTNKWDJILNVLGX-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl"], "synonym": ["Alfuzosin hydrochloride", "Alfuzosin hydrochloride", "Alfuzosin hydrochloride", "Alfuzosin hydrochloride", "Alfuzosin hcl", "Alfuzosin hydrochloride", "SL 77 499-10", "SL-77-499-10", "SL-77499-10", "Alfutral sr", "Alfuzosin hydrochloride", "Benestan", "Benestan ret", "Besavar xl", "Fuzatal xl", "Kelanu xl", "Urion s", "Uroxatral", "Vasran xl", "Xatral", "Xatral sr", "Zufal xl", "Alfuzosin hydrochloride", "Alfuzosin hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200561", "category": ["biolink:ChemicalEntity"], "name": "DOXAZOSIN MESYLATE", "xref": ["InChIKey:VJECBOKJABCYMF-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O"], "synonym": ["Doxazosin mesilate", "Doxazosin mesylate", "Doxazosin mesilate", "Doxazosin methanesulfonate", "Alfadil", "Doxazosin (as mesilate)", "Doxazosin mesilate", "Doxazosin mesylate", "NSC-759284", "UK-33,274-27", "UK-33274-27", "Cardozin xl", "Cardura", "Cardura xl", "Cascor", "Colixil xl", "Doxadura", "Doxazosin mesylate", "Doxzogen xl", "Larbex xl", "Oxandosin xl", "Raporsin xl", "Slocinx xl", "Doxazosin mesylate", "Doxazosin mesylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201103", "category": ["biolink:ChemicalEntity"], "name": "METHOXAMINE HYDROCHLORIDE", "xref": ["InChIKey:YGRFXPCHZBRUKP-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C(O)C(C)N)c1.Cl"], "synonym": ["Methoxamine hydrochloride", "Methoxamine hydrochloride", "Methoxamine hydrochloride", "Methoxamine hcl", "Methoxamine hydrochloride", "NSC-757102", "Vasoxine", "Vasoxyl"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2062262", "category": ["biolink:ChemicalEntity"], "name": "METARAMINOL BITARTRATE", "xref": ["InChIKey:VENXSELNXQXCNT-YDYUUSCQSA-N", "SMILES:C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Metaraminol bitartrate", "Metaraminol hydrochloride", "Metaraminol hydrochloride", "Metaraminol hydrochloride, (-)-", "Metaraminol tartrate", "NSC-758425", "Aramine", "Metaraminol bitartrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200461", "category": ["biolink:ChemicalEntity"], "name": "MIDODRINE HYDROCHLORIDE", "xref": ["InChIKey:MGCQZNBCJBRZDT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl"], "synonym": ["Midodrine hydrochloride", "Midodrine hydrochloride", "Midodrine hydrochloride", "Midodrine hydrochloride", "Amatine", "Hipertan", "Metligine", "Midodrine hcl", "Midodrine hydrochloride", "Midodrine monohydrochloride", "A-4020 LINZ", "NSC-758429", "ST 1085 HYDROCHLORIDE", "ST 1085 [AS THE BASE]", "ST-1085 BASE", "ST-1085 HYDROCHLORIDE", "ST-PETER-224", "ST. PETER 224", "ST1085 HYDROCHLORIDE", "Bramox", "Gutron", "Midodrine hydrochloride", "Midon", "Orvaten", "Pro-amatine", "Proamatine", "Midodrine hydrochloride", "Midodrine hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200339", "category": ["biolink:ChemicalEntity"], "name": "PHENYLEPHRINE HYDROCHLORIDE", "xref": ["InChIKey:OCYSGIYOVXAGKQ-FVGYRXGTSA-N", "SMILES:CNC[C@H](O)c1cccc(O)c1.Cl"], "synonym": ["Phenylephrine hydrochloride", "Phenylephrine hydrochloride", "Phenylephrine hydrochloride", "Phenylephrine hydrochloride", "NSC-757273", "Afrin 4 hour nasal spray", "Biorphen", "Fenilfar", "Fenox", "Immphentiv", "Mydfrin", "Nazex", "Neo-synephrine", "Neosynephrine", "Nostril", "Nurofen sinus pain relief", "Phenylephrine hydrochloride", "Phenylephrine hydrochloride component of advil congestion relief", "Phenylephrine hydrochloride component of cyclomydril", "Phenylephrine hydrochloride component of mydcombi", "Phenylephrine hydrochloride component of omidria", "Phenylephrine hydrochloride component of phenergan vc", "Phenylephrine hydrochloride component of pherazine vc", "Phenylephrine hydrochloride component of prefrin-a", "Phenylephrine hydrochloride component of promethazine vc", "Prefrin", "Vazculep"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1558", "category": ["biolink:ChemicalEntity"], "name": "PRAZOSIN HYDROCHLORIDE", "xref": ["InChIKey:WFXFYZULCQKPIP-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl"], "synonym": ["Prazosin hydrochloride", "Prazosin hydrochloride", "Prazosin hydrochloride", "Prazosin hydrochloride", "Prazosin hcl", "Prazosin hydrochloride", "CP-12,299-1", "CP-12299-1", "NSC-292810", "Alphavase 0.5", "Alphavase 1", "Alphavase 2", "Alphavase 5", "Hypovase", "Hypovase b.d.", "Kentovace", "Minipress", "Minipress xl", "Prazosin hydrochloride", "Prazosin hydrochloride component of minizide", "Prazosin hydrochloride", "Prazosin hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200914", "category": ["biolink:ChemicalEntity"], "name": "TAMSULOSIN HYDROCHLORIDE", "xref": ["InChIKey:ZZIZZTHXZRDOFM-XFULWGLBSA-N", "SMILES:CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl"], "synonym": ["Tamsulosin hydrochloride", "Tamsulosin hydrochloride", "Tamsulosin hydrochloride", "Tamsulosin hydrochloride", "Harnal", "Tamsulosin hcl", "Tamsulosin hydrochloride", "LY-253351", "LY253351", "R-(-)-YM-12617", "YM-12617-1", "YM-617", "YM617", "Alphacard mr", "Bazetham mr", "Contiflo xl", "Cositam xl", "Diffundox", "Faramsil", "Flectone xl", "Flomax", "Flomax mr", "Flomax relief mr", "Flomaxtra xl", "Galebon", "Losinate mr", "Maxtron", "Morvesin xl", "Omnic mr", "Pamsvax xl", "Petyme", "Pinexel pr", "Prosurin xl", "Stronazon", "Tabphyn mr", "Tamfrex xl", "Tamsulosin hydrochloride", "Tamsulosin hydrochloride component of jalyn", "Tamurex", "Tamsulosin hydrochloride", "Tamsulosin hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989562", "category": ["biolink:ChemicalEntity"], "name": "TERAZOSIN HYDROCHLORIDE", "xref": ["InChIKey:NZMOFYDMGFQZLS-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl.O.O"], "synonym": ["Terazosin hydrochloride", "Terazosin hydrochloride", "Terazosin hydrochloride", "Terazosin hydrochloride hydrate", "Terazosin hydrochloride", "Terazosin hydrochloride dihydrate", "Heitrin", "Hytracin", "Itrin", "Terazosin (as hydrochloride)", "Terazosin hcl", "Terazosin hcl 2h20", "Terazosin hydrochloride", "Terazosin hydrochloride anhydrous", "Terazosin hydrochloride hydrate", "Tezruly", "Urodie", "ABBOTT-45975", "ABBOTT-45975 ANHYDROUS", "NSC-759168", "Benph", "Hytrin", "Hytrin bph", "Terazosin hydrochloride", "Tezruly", "Terazosin hydrochloride", "Terazosin hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989408", "category": ["biolink:ChemicalEntity"], "name": "IBUPROFEN SODIUM", "xref": ["InChIKey:VTGPMVCGAVZLQI-UHFFFAOYSA-M", "SMILES:CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.O.O.[Na+]"], "synonym": ["Ibuprofen sodium", "Ibuprofen sodium", "Ibuprofen sodium dihydrate", "Sodium ibuprofen dihydrate", "Advil", "Ibuprofen sodium", "Ibuprofen sodium component of combogesic iv", "Ibuprofen sodium"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.TARGET:CHEMBL2094253", "category": ["biolink:ProteinFamily"], "name": "Cyclooxygenase"}
{"id": "CHEMBL.COMPOUND:CHEMBL112", "category": ["biolink:ChemicalEntity"], "name": "ACETAMINOPHEN", "xref": ["InChIKey:RZVAJINKPMORJF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(O)cc1"], "synonym": ["Paracetamol", "Paracetamol", "Acetaminophen", "Paracetamol", "Acetaminophen", "Acetaminophen", "Biocetamol", "Doliprane", "Efferalgan", "N-acetyl-p-aminophenol", "P-hydroxy-acetanilid", "Paracetamol", "Paracetamolum", "Vermidon", "NSC-109028", "NSC-3991", "Abdine", "Acephen", "Acetaminophen", "Acetaminophen component of allay", "Acetaminophen component of anexsia", "Acetaminophen component of anoquan", "Acetaminophen component of apadaz", "Acetaminophen component of bancap", "Acetaminophen component of bancap hc", "Acetaminophen component of bucet", "Acetaminophen component of butapap", "Acetaminophen component of co-gesic", "Acetaminophen component of codrix", "Acetaminophen component of combogesic", "Acetaminophen component of combogesic iv", "Acetaminophen component of darvocet", "Acetaminophen component of dhc plus", "Acetaminophen component of dolene ap-65", "Acetaminophen component of drixoral plus", "Acetaminophen component of duradyne dhc", "Acetaminophen component of esgic", "Acetaminophen component of excedrin", "Acetaminophen component of femcet", "Acetaminophen component of fioricet", "Acetaminophen component of hy-phen", "Acetaminophen component of lorcet-hd", "Acetaminophen component of lortab", "Acetaminophen component of medigesic plus", "Acetaminophen component of norcet", "Acetaminophen component of norco", "Acetaminophen component of oxycet", "Acetaminophen component of percocet", "Acetaminophen component of phrenilin", "Acetaminophen component of roxicet", "Acetaminophen component of roxilox", "Acetaminophen component of sedapap", "Acetaminophen component of synalgos-dc-a", "Acetaminophen component of talacen", "Acetaminophen component of tencon", "Acetaminophen component of trezix", "Acetaminophen component of triad", "Acetaminophen component of triaprin", "Acetaminophen component of tycolet", "Acetaminophen component of tylox", "Acetaminophen component of ultracet", "Acetaminophen component of vicodin", "Acetaminophen component of wygesic", "Acetaminophen component of xartemis", "Acetaminophen component of zydone", "Alvedon", "Angiers", "Calpol", "Calpol six plus", "Calpol six plus fastmelts", "Child lemsip", "Cupanol", "Dafalgan", "Disprol", "Disprol infant", "Disprol jnr", "Disprol paed", "Fennings", "Galpamol", "Hedex", "Infadrops", "Infants' feverall", "Injectapap", "Junior parapaed", "Mandanol", "Medinol", "Medinol for children", "Medinol over 6", "Medinol under 6", "Medised plain", "Miradol", "Neopap", "Ofirmev", "Paldesic", "Panadol", "Panadol actifast", "Panadol actifast solb", "Panadol advan", "Panadol jnr", "Panadol oa", "Panaleve", "Panaleve 6 plus", "Paramin", "Parapaed jnr", "Parapaed six plus", "Paravict", "Perfalgan", "Placidex", "Rimadol", "Salzone", "Tixymol", "Tramil 500", "Tylenol", "Tylenol (caplet)", "Tylenol (geltab)"], "chembl_black_box_warning": "True", "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL154", "category": ["biolink:ChemicalEntity"], "name": "NAPROXEN", "xref": ["InChIKey:CMWTZPSULFXXJA-VIFPVBQESA-N", "SMILES:COc1ccc2cc([C@H](C)C(=O)O)ccc2c1"], "synonym": ["Naproxen", "Naproxen", "Naproxen", "Naproxen", "Naproxen", "Naproxene", "Naproxeno", "Naproxen", "Naproxen", "Naproxen", "NAPROXEN COMPONENT OF PN400", "NSC-750183", "NSC-757239", "RS-3540", "Arthrosin 250", "Arthrosin 250 ec", "Arthrosin 500", "Arthrosin 500 ec", "Condrotec", "Ec-naprosyn", "Feminax ultra", "Grenoxal", "Kenosyn", "Laraflex", "Napratec op", "Naprosyn", "Naprosyn 375", "Naprosyn ec", "Naproxen", "Naproxen component of vimovo", "Nycopren", "Pranoxen continus", "Prosaid", "Rheuflex 250", "Rheuflex 500", "Rimoxyn", "Stirlescent", "Timpron", "Timpron 250 ec", "Timpron 500 ec", "Valrox", "Naproxen", "Naproxen"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200806", "category": ["biolink:ChemicalEntity"], "name": "NAPROXEN SODIUM", "xref": ["InChIKey:CDBRNDSHEYLDJV-FVGYRXGTSA-M", "SMILES:COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1.[Na+]"], "synonym": ["Naproxen sodium", "Naproxen sodium", "Naproxen sodium salt", "Naproxen sodium", "Naproxen sodium anhydrous", "BAY-117031", "BAY117031", "BAYH6689", "RS-3650", "Aleve", "Anaprox", "Anaprox ds", "Naprelan", "Naproxen sodium", "Naproxen sodium component of aleve-d", "Naproxen sodium component of treximet", "Synflex", "Naproxen sodium", "Naproxen sodium"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201180", "category": ["biolink:ChemicalEntity"], "name": "DICLOFENAC EPOLAMINE", "xref": ["InChIKey:DCERVXIINVUMKU-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.OCCN1CCCC1"], "synonym": ["Diclofenac epolamine", "Diclofenac epolamine", "Diclofenac epolaminum", "Flector", "Flector patch", "Licart"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1034", "category": ["biolink:ChemicalEntity"], "name": "DICLOFENAC SODIUM", "xref": ["InChIKey:KPHWPUGNDIVLNH-UHFFFAOYSA-M", "SMILES:O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]"], "synonym": ["Diclofenac sod", "Diclofenac sodium", "Diclofenac sodium", "Diclofenac sodium", "Diclofenac diethylammonium salt", "Diclofenac sodium salt", "Abitren", "Benfofen", "Dealgic", "Deflamat", "Delphinac", "Diclofenac diethylamine", "Diclofenac diethylamine salt", "Diclofenac diethylammonium", "Diclofenac diethylammonium salt", "Diclofenac sodium", "Diclomax", "Diclophenac sodium", "Diclophlogont", "Dicloreum", "Duravolten", "Ecofenac", "Effekton", "Lexobene", "Neriodin", "Novapirina", "Primofenac", "Prophenatin", "Rewodina", "Sodium diclofenac", "Voldal", "Xenid", "GP 45840", "GP-45840", "NSC-756725", "Acoflam", "Acoflam ret", "Acoflam sr", "Arthronac", "Arthrotec 50", "Arthrotec 75", "Closteril 100", "Defanac", "Defanac retard", "Defanac sr", "Dexomon ret", "Dexomon sr", "Diclofenac sodium", "Diclofenac sodium component of arthrotec", "Dicloflex", "Dicloflex ret", "Dicloflex sr", "Diclomax ret", "Diclomax sr", "Diclotard 100 mr", "Diclotard 75 mr", "Diclovol", "Diclovol ret", "Diclovol sr", "Diclozip 25", "Diclozip 50", "Difenor xl", "Digenac xl 100", "Dyloject", "Econac", "Econac sr", "Econac xl", "Enstar sr", "Enstar xl", "Enzed", "Fenactol", "Fenactol ret", "Fenactol sr", "Flamatak mr", "Flamrase", "Flamrase sr", "Flexotard mr", "Isclofen", "Lofensaid 25", "Lofensaid 50", "Lofensaid ret 100", "Lofensaid ret 75", "Masidemen", "Misofen", "Mobigel", "Mobigel paineze", "Motifene", "Pennsaid", "Rheumatac ret 75", "Rhumalgan", "Rhumalgan cr 100", "Rhumalgan cr 75", "Rhumalgan sr", "Rhumalgan xl", "Slofenac", "Solaraze", "Valdic 100 ret", "Valdic 75 ret", "Valenac", "Volraman", "Volsaid ret 100", "Volsaid ret 75", "Voltaren", "Voltaren arthritis pain", "Voltaren emulgel", "Voltaren ret", "Voltaren-xr", "Voltarene", "Voltarene emulgel", "Voltarene l.p.", "Voltarene ret", "Voltarol", "Voltarol 12 hour emulgel p", "Voltarol active", "Voltarol emulgel", "Voltarol emulgel p", "Voltarol gel patch", "Voltarol ophtha", "Voltarol pain-eze emulgel", "Voltarol ret", "Voltarol sr", "Diclofenac sodium", "Diclofenac sodium"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103736", "category": ["biolink:ChemicalEntity"], "name": "FENOPROFEN CALCIUM", "xref": ["InChIKey:LZPBLUATTGKZBH-UHFFFAOYSA-L", "SMILES:CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.O.O.[Ca+2]"], "synonym": ["Fenoprofen calcium", "Fenoprofen calcium", "Fenoprofen calcium", "Fenoprofen calcium salt dihydrate", "Fenoprofen calcium salt dihydrate", "Fenopron", "Fepron", "Feprona", "Nalgesic", "69323", "Fenoprofen calcium", "Nalfon", "Fenoprofen calcium", "Fenoprofen calcium"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL898", "category": ["biolink:ChemicalEntity"], "name": "DIFLUNISAL", "xref": ["InChIKey:HUPFGZXOMWLGNK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O"], "synonym": ["Diflunisal", "Diflunisal", "Diflunisal", "Diflunisal", "Diflunisal", "Diflunisal", "Diflunisal", "Diflunisal", "NSC-756728", "Diflunisal", "Dolobid", "Dolobid 500", "Diflunisal", "Diflunisal"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL521", "category": ["biolink:ChemicalEntity"], "name": "IBUPROFEN", "xref": ["InChIKey:HEFNNWSXXWATRW-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)O)cc1"], "synonym": ["Ibuprofen", "Ibuprofen", "Ibuprofen", "Ibuprofen", "Ibuprofen", "Ibuprofen", "Ibuprofene", "Ibuprofeno", "Ibuprofen", "Ibuprofen", "Burana", "Ibuprofen", "Ibuprofenum", "IB-100", "IP-82", "M01AE01", "NSC-256857", "RD 13621", "U-18,573", "U-18573", "Aches-n-pain", "Advil", "Advil liqui-gels", "Advil migraine liqui-gels", "Anadin joint pain", "Anadin liquifast", "Anadin period pain relief", "Anadin ultra", "Apsifen", "Apsifen-f", "Arthrofen 200", "Arthrofen 400", "Arthrofen 600", "Brufen ret", "Caldolor", "Cap-profen", "Children's advil", "Children's advil-flavored", "Children's elixsure", "Children's ibuprofen", "Children's motrin", "Co-op", "Codafen continus", "Cuprofen for child", "Cuprofen plus", "Deep relief", "Ebufac", "Femafen", "Fenbid", "Fenbid fte", "Fenpaed", "Feverfen", "Fleximex", "Ibu", "Ibu-slo", "Ibu-tab", "Ibu-tab 200", "Ibucalm", "Ibuderm", "Ibufac", "Ibugel", "Ibugel fte", "Ibular", "Ibuleve", "Ibumed", "Ibumetin", "Ibumousse", "Ibuprin", "Ibuprofen", "Ibuprofen component of advil allergy sinus", "Ibuprofen component of advil congestion relief", "Ibuprofen component of children's advil cold", "Ibuprofen component of children's motrin cold", "Ibuprofen component of combogesic", "Ibuprofen component of combunox", "Ibuprofen component of duexis", "Ibuprofen component of reprexain", "Ibuprofen component of sine-aid ib", "Ibuprofen component of vicoprofen", "Ibuprofen gen.orph", "Ibuprohm", "Ibuspray", "Ibutime", "Inabrin", "Infant's advil", "Inoven", "Isisfen", "Junifen", "Junior strength advil", "Junior strength ibuprofen", "Junior strength motrin", "Lidifen", "Lidifen-f", "Lobufen", "Mandafen", "Manorfen", "Maxa-gesic", "Medipren", "Midol", "Midol liquid gels", "Migrafen", "Motrin", "Motrin ib", "Motrin migraine pain", "Novaprin", "Nuprin", "Nurofen 400", "Nurofen back pain sr", "Nurofen child", "Nurofen for child", "Nurofen plus", "Nurofen recovery", "Nurofen sinus", "Nurofen solb", "Orbifen", "Pacifene", "Paxofen", "Pedea", "Pediatric advil", "Phensic", "Phor pain", "Phorpain", "Phorpain max strgh", "Profen", "Proflex", "Proflex sr", "Relcofen", "Rimafen", "Rufen", "Seclodin", "Suspren", "Tab-profen", "Ibuprofen", "Ibuprofen"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1120", "category": ["biolink:ChemicalEntity"], "name": "BISMUTH SUBSALICYLATE", "synonym": ["Bismuth subsalicylate", "Bismuth subsalicylate", "Bismuth subsalicylate", "Bismuth salicylate", "Bismuth subsalicylate", "NSC-759117", "Bismukote", "Bismuth subsalicylate component of helidac", "Corrective suspension", "Gastro-cote", "Pepto-bismol", "Bismuth subsalicylate", "Bismuth subsalicylate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1021", "category": ["biolink:ChemicalEntity"], "name": "NEPAFENAC", "xref": ["InChIKey:QEFAQIPZVLVERP-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N"], "synonym": ["Nepafenac", "Nepafenac", "Nepafenac", "Nepafenac", "Nepafenac", "Nepafenaco", "Nepafenac", "Nepafenac", "Nepafenac", "AHR-9434", "AL-6515", "Ilevro", "Nevanac", "Nepafenac", "Nepafenac"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989676", "category": ["biolink:ChemicalEntity"], "name": "OXYPHENBUTAZONE", "xref": ["InChIKey:CNDQSXOVEQXJOE-UHFFFAOYSA-N", "SMILES:CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.O"], "synonym": ["Oxyphenbutazone", "Oxyphenbutazone", "Oxyphenbutazone", "Oxyphenbutazone", "Oxifenbutazona", "Oxyphenbutazone monohydrate", "Oxyphenbutazone", "Oxyphenbutazone hydrate", "Oxyphenbutazone monohydrate", "Phlogase", "Phlogistol", "Phlogont", "NSC-757261", "Oxyphenbutazone", "Tandearil", "Tanderil", "Tanderil chloramphen"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989754", "category": ["biolink:ChemicalEntity"], "name": "FLURBIPROFEN SODIUM", "xref": ["InChIKey:GNMBMOULKUXEQF-UHFFFAOYSA-M", "SMILES:CC(C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1.O.O.[Na+]"], "synonym": ["Flurbiprofen sodium", "Flurbiprofen sodium", "Flurbiprofen sodium anhydrous", "Flurbiprofen sodium dihydrate", "Flurbiprofen sodium", "Ocufen"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL25", "category": ["biolink:ChemicalEntity"], "name": "ASPIRIN", "xref": ["InChIKey:BSYNRYMUTXBXSQ-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccccc1C(=O)O"], "synonym": ["Acetylsalicylic acid", "Aspirin", "Aspirin", "Aspirin", "Acetyl salicylate", "Acetylsalicylic acid", "Acetylsalicylic acid (who-ip)", "Acetylsalicylicum acidum", "Acidum acetylsalicylicum", "Acidum acetylsalicylicum (who-ip)", "Aspirin", "Benzoic acid, 2-(acetyloxy)-", "BAY1019036", "NSC-27223", "NSC-406186", "8-hour bayer", "Acetosalic acid", "Acetylsalic acid", "Alka rapid", "Anadin all night", "Angettes 75", "Aspirin", "Aspirin component of -pc", "Aspirin component of aggrenox", "Aspirin component of axotal", "Aspirin component of azdone", "Aspirin component of carisoprodol compound", "Aspirin component of clopidogrel/acetylsalicylic acid", "Aspirin component of codoxy", "Aspirin component of darvon compound", "Aspirin component of duocover", "Aspirin component of duoplavin", "Aspirin component of equagesic", "Aspirin component of excedrin", "Aspirin component of fiorinal", "Aspirin component of invagesic", "Aspirin component of invagesic forte", "Aspirin component of lanorinal", "Aspirin component of mepro-", "Aspirin component of micrainin", "Aspirin component of norgesic", "Aspirin component of orphengesic", "Aspirin component of orphengesic forte", "Aspirin component of pa-32540", "Aspirin component of percodan", "Aspirin component of percodan-demi", "Aspirin component of pl2200", "Aspirin component of pravigard pac", "Aspirin component of q-gesic", "Aspirin component of robaxisal", "Aspirin component of roxiprin", "Aspirin component of soma compound", "Aspirin component of synalgos-dc", "Aspirin component of talwin compound", "Aspirin component of vicoprin", "Aspirin component of yosprala", "Aspro clr", "Bayer extra strength aspirin for migraine pain", "Danamep", "Disprin cv", "Disprin direct", "Durlaza", "Enprin", "Equi-prin", "Gencardia", "Levius", "Max strgh aspro clr", "Measurin", "Micropirin ec", "Nu-seals 300", "Nu-seals 600", "Nu-seals 75", "Nu-seals cardio 75", "Paynocil", "Platet", "Platet 300", "Postmi 300", "Postmi 75", "Salicylic acid acetate", "Vazalore"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200613", "category": ["biolink:ChemicalEntity"], "name": "TOLMETIN SODIUM", "xref": ["InChIKey:QGUALMNFRILWRA-UHFFFAOYSA-M", "SMILES:Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+]"], "synonym": ["Tolmetin sodium", "Tolmetin sodium", "Tolmetin sodium salt dihydrate", "Sodium tolmetin", "Tolmetin sodium anhydrous", "Tolmetin sodium dihydrate", "Tolmetin sodium salt dihydrate", "MCN-2559-21-98", "NSC-757341", "Tolectin", "Tolectin 600", "Tolectin ds", "Tolmetin sodium", "Tolmetin sodium", "Tolmetin sodium"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200804", "category": ["biolink:ChemicalEntity"], "name": "DICLOFENAC POTASSIUM", "xref": ["InChIKey:KXZOIWWTXOCYKR-UHFFFAOYSA-M", "SMILES:O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[K+]"], "synonym": ["Diclofenac potassium", "Diclofenac potassium", "Diclofenac potassium salt", "Diclofenac potassium", "Potassium diclofenac", "CGP 45840B", "CGP-45840B", "Cambia", "Cataflam", "Diclofenac potassium", "Voltarol joint pain", "Voltarol pain-eze", "Voltarol pain-eze extra strgh", "Voltarol rapid", "Zipsor", "Diclofenac potassium", "Diclofenac potassium"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6", "category": ["biolink:ChemicalEntity"], "name": "INDOMETHACIN", "xref": ["InChIKey:CGIGDMFJXJATDK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1"], "synonym": ["Indometacin", "Indometacin", "Indometacin", "Indometacin", "Indomethacin", "Indometacin", "Indometacine", "Indometacina", "Indometacin", "Indometacin farnesil", "Indomethacin", "Aconip", "Durametacin", "Indometacin", "Indometacinum", "Indomethacin", "Reumacide", "NSC-757061", "NSC-77541", "Artracin", "Artracin sr", "Berlind 75 ret", "Flexin-25 continus", "Flexin-50 continus", "Flexin-75 continus", "Imbrilon", "Indo-lemmon", "Indo-paed", "Indocid ret", "Indocid-r", "Indocin", "Indocin sr", "Indoderm", "Indoflex", "Indolar", "Indolar sr", "Indomax-25", "Indomax-75 sr", "Indomethacin", "Indomod", "Indoptol", "Indotard mr 75", "Ledmecin", "Maximet sr", "Mobilan", "Pardelprin mr", "Rheumacin la", "Rimacid", "Slo-indo", "Tivorbex", "Indomethacin", "Indomethacin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3181947", "category": ["biolink:ChemicalEntity"], "name": "BROMFENAC SODIUM", "xref": ["InChIKey:PPOSVVJOVKVBPW-UHFFFAOYSA-L", "SMILES:Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.O.O.O.[Na+].[Na+]"], "synonym": ["Bromfenac sodium", "Bromfenac sodium sesquihydrate", "Bromfenac sodium", "Bromfenac sodium hydrate", "Bromfenac monosodium salt", "Bromfenac monosodium salt sesquihydrate", "Bromfenac sodium", "Bromfenac sodium hydrate", "Bromfenac sodium sesquihydrate", "AHR-10282B", "Bromday", "Bromfenac sodium", "Bromsite", "Prolensa", "Xibrom", "Yellox", "Bromfenac sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL563", "category": ["biolink:ChemicalEntity"], "name": "FLURBIPROFEN", "xref": ["InChIKey:SYTBZMRGLBWNTM-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1"], "synonym": ["Flurbiprofen", "Flurbiprofen", "Flubiprofen", "Flurbiprofen", "Flurbiprofen", "Flurbiprofen", "Flurbiprofene", "Flurbiprofeno", "Flurbiprofen", "Flurbiprofen", "Flurbiprofen", "BTS 18,322", "BTS-18322", "NSC-757037", "U-27,182", "U-27182", "Ansaid", "Cebutid", "Flurbiprofen", "Froben", "Froben sr", "Strefen", "Transact", "Flurbiprofen", "Flurbiprofen"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201124", "category": ["biolink:ChemicalEntity"], "name": "KETOROLAC TROMETHAMINE", "xref": ["InChIKey:BWHLPLXXIDYSNW-UHFFFAOYSA-N", "SMILES:NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O"], "synonym": ["Ketorolac tromethamine", "Ketorolac (+/-)-form tromethamine salt", "Dolac", "Ketorolac trometamol", "Ketorolac tromethamine", "Lixidol", "Tarasyn", "NSC-758637", "Acular", "Acular ls", "Acular preservative free", "Acuvail", "Ketorolac tromethamine", "Ketorolac tromethamine component of omidria", "Sprix", "Toradol", "Ketorolac tromethamine", "Ketorolac tromethamine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL15770", "category": ["biolink:ChemicalEntity"], "name": "SULINDAC", "xref": ["InChIKey:MLKXDPUZXIRXEP-MFOYZWKCSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1"], "synonym": ["Sulindac", "Sulindac", "Sulindac", "Sulindac", "Sulindac", "Sulindaco", "Sulindac", "Sulindac", "Arthrocine", "Artribid", "Sulindac", "MK-231", "NSC-757344", "Clinoril", "Sulindac", "Sulindac", "Sulindac"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989410", "category": ["biolink:ChemicalEntity"], "name": "INDOMETHACIN SODIUM", "xref": ["InChIKey:UHYAQBLOGVNWNT-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.O.O.O.[Na+]"], "synonym": ["Indomethacin sodium", "Indometacin sodium", "Indometacin sodium hydrate", "Indomethacin sodium salt trihydrate", "Indometacin sodium", "Indometacin sodium hydrate", "Indometacin sodium trihydrate", "Indomethacin sodium", "Indomethacin sodium anhydrous", "Indomethacin sodium trihydrate", "Sodium indomethacin", "Sodium indomethacin trihydrate", "Indocin", "Indomethacin sodium", "Indomethacin sodium", "Indomethacin sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200463", "category": ["biolink:ChemicalEntity"], "name": "OXAPROZIN POTASSIUM", "xref": ["InChIKey:QTAQWNSMRSLSCG-UHFFFAOYSA-M", "SMILES:O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.[K+]"], "synonym": ["Oxaprozin potassium", "Daypro alta"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL686", "category": ["biolink:ChemicalEntity"], "name": "MEFENAMIC ACID", "xref": ["InChIKey:HYYBABOKPJLUIN-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)O)c1C"], "synonym": ["Mefenamic acid", "Mefenamic acid", "Mefenamic acid", "Mefenamic acid", "Mefenamic acid", "Acide mefenamique", "Acido mefenamico", "Mefenamic acid", "Mefenamic acid", "Gardan", "Mefenamate", "Mefenamic acid", "Mefenaminic acid", "Mephenamic acid", "Mephenaminic acid", "CI-473", "CN-35355", "INF-3355", "J2.344B", "M01AG01", "NSC-94437", "Contraflam", "Dysman-250", "Dysman-500", "Mefenamic acid", "Meflam 250", "Meflam 500", "Mendys", "Opustan 250", "Opustan 500", "Ponstan", "Ponstan fte", "Ponstel", "Mefenamic acid", "Mefenamic acid"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201141", "category": ["biolink:ChemicalEntity"], "name": "IBUPROFEN LYSINE", "xref": ["InChIKey:IHHXIUAEPKVVII-ZSCHJXSPSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O"], "synonym": ["Ibuprofen lysine", "Ibuprofen lysine", "Arfen", "Dolormin", "Ibuprofen l-lysine", "Ibuprofen lysinate", "Ibuprofen lysine", "Imbun", "Lisiprofen", "Saren", "Solufenum", "Soluphene", "Feminax express", "Ibuprofen lysine", "Neoprofen", "Nurofen advance", "Nurofen max strgth mig pain", "Nurofen migraine pain", "Nurofen tension headache", "Ibuprofen lysine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1071", "category": ["biolink:ChemicalEntity"], "name": "OXAPROZIN", "xref": ["InChIKey:OFPXSFXSNFPTHF-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1"], "synonym": ["Oxaprozin", "Oxaprozin", "Oxaprozin", "Oxaprozin", "Oxaprozine", "Oxaprozina", "Oxaprozin", "Oxaprozin", "Coxanto", "Oxaprozin", "NSC-310839", "WY-21,743", "WY-21743", "Coxanto", "Daypro", "Oxaprozin", "Oxaprozin", "Oxaprozin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL101", "category": ["biolink:ChemicalEntity"], "name": "PHENYLBUTAZONE", "xref": ["InChIKey:VYMDGNCVAMGZFE-UHFFFAOYSA-N", "SMILES:CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O"], "synonym": ["Phenylbutazone", "Phenylbutazone", "Phenylbutazone", "Phenylbutazone", "Fenilbutazona", "Ambene", "Artrizin", "Bizolin", "Butadion", "Butadiona", "Butapirazol", "Butatron", "Butoz", "Buzon", "Diphebuzol", "Ecobutazone", "Equipalazone", "Exrheudon n", "Fenibutazona", "Fenibutol", "Fenylbutazon", "Flexazone", "Intrabutazone", "Intrazone", "Mepha-butazon", "Phebuzine", "Phenylbutazone", "Phenyzene", "Robizone-v", "Shigrodin", "Tevcodyne", "Uzone", "Zolaphen", "G-13871", "NSC-25134", "R-3-ZON", "Antadol", "Azolid", "Butacote", "Butaject", "Butazolidin", "Elmedal", "Equiphar", "Phenylbutazone", "Pro-bute"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL527", "category": ["biolink:ChemicalEntity"], "name": "PIROXICAM", "xref": ["InChIKey:QYSPLQLAKJAUJT-UHFFFAOYSA-N", "SMILES:CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O"], "synonym": ["Piroxicam", "Piroxicam", "Piroxicam", "Piroxicam", "Piroxicam", "Piroxicam", "Piroxicam", "Piroxicam", "CP-16,171", "CP-16171", "NSC-666076", "Brexidol", "Feldene", "Feldene 20", "Feldene p", "Flamatrol", "Kentene", "Larapam", "Piroflam 10", "Piroflam 20", "Piroxicam", "Pirozip 10", "Pirozip 20", "Piroxicam", "Piroxicam"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL956", "category": ["biolink:ChemicalEntity"], "name": "SUPROFEN", "xref": ["InChIKey:MDKGKXOCJGEUJW-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1"], "synonym": ["Suprofen", "Suprofen", "Suprofen", "Suprofen", "Suprofen", "Suprofene", "Suprofeno", "Suprofen", "P-(2-thenoyl)hydratropic acid", "P-2-thenoylhydratropic acid", "Racemic suprofen", "Srendam", "Sulproltin", "Sutoprofen", "Topalgic", "NSC-303611", "R-25,061", "R-25061", "TN-762", "Profenal", "Suprofen", "Suprofen"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL571", "category": ["biolink:ChemicalEntity"], "name": "KETOPROFEN", "xref": ["InChIKey:DKYWVDODHFEZIM-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1"], "synonym": ["Ketoprofen", "Ketoprofen", "Ketoprofen", "Ketoprofen", "Ketoprofen", "Ketoprofene", "Ketoprofeno", "Ketoprofen", "Ketoprofen", "(rs)-ketoprofen", "Actron ketoprofen", "Aneol", "Capisten", "Hydratropic acid, m-benzoyl-", "Iso-k", "Ketoprofen", "Ketorin", "Sector", "19583RP", "IDEA-033", "NSC-758144", "R.P. 19,583", "R.P. 19583", "RP-19583", "RU-4733", "Actron", "Alrheumat", "Axorid", "Fenoket 200", "Jomethid xl", "Ketocid 200", "Ketonal", "Ketoprofen", "Ketotard 200 xl", "Ketovail", "Ketozip 200 xl", "Larafen", "Larafen cr", "Nexcede", "Orudis", "Orudis 100", "Orudis kt", "Oruvail", "Oruvail 100", "Oruvail 150", "Oruvail 200", "Oruvail im", "Powergel", "Tiloket", "Tiloket cr", "Valket 200 retard", "Ketoprofen", "Ketoprofen"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL44657", "category": ["biolink:ChemicalEntity"], "name": "ETOPOSIDE", "xref": ["InChIKey:VJJPUSNTGOMMGY-MRVIYFEKSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"], "synonym": ["Etoposide", "Etoposide", "Etoposide", "Etoposide", "Etoposide", "Etoposido", "Etoposide", "Etoposide", "Etoposide", "Etoposidum", "Sintopozid", "NSC-141540", "VP-16-213", "Etoposide", "Toposar", "Vepesid", "Etoposide", "Etoposide", "Etoposide resolution mixture"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2094255", "category": ["biolink:ProteinFamily"], "name": "DNA topoisomerase II"}
{"id": "CHEMBL.COMPOUND:CHEMBL452231", "category": ["biolink:ChemicalEntity"], "name": "TENIPOSIDE", "xref": ["InChIKey:NRUKOCRGYNPUPR-QBPJDGROSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"], "synonym": ["Teniposide", "Teniposide", "Teniposide", "Teniposide", "Teniposido", "Teniposide", "Teniposide", "NSC-122819", "VM-26", "VM26", "Vumon", "Teniposide", "Teniposide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL628", "category": ["biolink:ChemicalEntity"], "name": "PENTOXIFYLLINE", "xref": ["InChIKey:BYPFEZZEUUWMEJ-UHFFFAOYSA-N", "SMILES:CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O"], "synonym": ["Pentoxifylline", "Oxpentifylline", "Pentoxifylline", "Pentoxifylline", "Pentoxifylline", "Pentoxifylline", "Pentoxifilina", "Pentoxifylline", "Pentoxifylline", "Oxypentifylline", "Pentoxifylline", "Pentoxiphyllin", "BL 191", "BL-191", "C04AD03", "NSC-637086", "NSC-758481", "Neotren mr", "Pentoxifylline", "Pentoxil", "Trental", "Trental 100", "Trental 400", "Pentoxifylline", "Pentoxifylline"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2094257", "category": ["biolink:ProteinFamily"], "name": "Adenosine A2 receptor"}
{"id": "CHEMBL.TARGET:CHEMBL2111329", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200569", "category": ["biolink:ChemicalEntity"], "name": "CAFFEINE CITRATE", "xref": ["InChIKey:RCQXSQPPHJPGOF-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Caffeine citrate", "Caffeine citrate", "Caffeine citrate", "Caffeine mixture with citric acid", "Caffeine, citrated", "Caffeine, citrated", "Caffeine citrate", "Caffeine, citrated", "Citrated caffeine", "Cafcit", "Caffeine citrate", "Gencebok", "Peyona", "Peyona (previously nymusa)", "Caffeine citrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL113", "category": ["biolink:ChemicalEntity"], "name": "CAFFEINE", "xref": ["InChIKey:RYYVLZVUVIJVGH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(ncn2C)n(C)c1=O"], "synonym": ["Caffeine", "Caffeine", "Caffeine", "Anhydrous caffeine", "Caffeine", "Anhydrous caffeine", "Caffeine", "Caffeine anhydrous", "Caffeinum", "Coffeinum", "Durvitan", "Guaranine", "Synalgos", "Vivarin", "FEMA NO. 2224", "NSC-5036", "Caffeine component of anoquan", "Caffeine component of cafergot", "Caffeine component of darvon compound", "Caffeine component of dhc plus", "Caffeine component of esgic", "Caffeine component of excedrin", "Caffeine component of femcet", "Caffeine component of fioricet", "Caffeine component of fiorinal", "Caffeine component of invagesic", "Caffeine component of invagesic forte", "Caffeine component of lanorinal", "Caffeine component of medigesic plus", "Caffeine component of migergot", "Caffeine component of norgesic", "Caffeine component of orphengesic", "Caffeine component of orphengesic forte", "Caffeine component of synalgos-dc", "Caffeine component of synalgos-dc-a", "Caffeine component of trezix", "Caffeine component of triad", "Caffeine component of wigraine", "Nodoz", "Pro-plus", "Yeast-vite", "Zanthine", "Caffeine melting point standard"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL477", "category": ["biolink:ChemicalEntity"], "name": "ADENOSINE", "xref": ["InChIKey:OIRDTQYFTABQOQ-KQYNXXCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "synonym": ["Adenosine", "Adenosine", "Adenosine", "Adenosine", "Adenosine", "Adenosine", "9-.beta.-d-ribofuranosyladenine", "Adenosine", "NSC-7652", "SR 96225", "SR-96225", "Adenocard", "Adenocor", "Adenoscan", "Adenosine", "Adenosine", "Adenosine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL730", "category": ["biolink:ChemicalEntity"], "name": "NITROGLYCERIN", "xref": ["InChIKey:SNIOPGDIGTZGOP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]"], "synonym": ["Glyceryl trinitrate", "Glyceryl trinitrate", "Nitroglycerin", "Nitroglycerin tablets", "Nitroglycerin", "Chlormethine oxide hydrochloride", "Glonoinum", "Glyceryl trinitrate", "Glyceryl trinitrate solution", "Imx-150", "Mechlorethamine oxide hcl", "Mitomen", "Mustron", "Nitora", "Nitroglycerin", "Nitromin hydrochloride", "Trinitrin", "Trinitrine", "C01DA02", "Coro-nitro", "Deponit 10", "Deponit 5", "Glytrin", "Gonitro", "Lenitral 7.5", "Minitran", "Minitran 10", "Minitran 15", "Minitran 5", "Natirose", "Nitriderm tts", "Nitro iv", "Nitro-bid", "Nitro-dur", "Nitro-mack ret", "Nitrocine", "Nitrocontin continus", "Nitroglycerin", "Nitrol", "Nitrolingual", "Nitrolingual pumpspray", "Nitromin", "Nitromist", "Nitronal", "Nitrostat", "Percutol", "Rectiv", "Rectogesic", "Suscard buccal", "Sustac", "Transderm-nitro", "Transiderm-nitro 10", "Transiderm-nitro 5", "Tridil", "Trintek 10", "Trintek 15", "Trintek 5", "Diluted nitroglycerin"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2111348", "category": ["biolink:MacromolecularComplex"], "name": "Soluble guanylate cyclase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200689", "category": ["biolink:ChemicalEntity"], "name": "NITRIC OXIDE", "xref": ["InChIKey:MWUXSHHQAYIFBG-UHFFFAOYSA-N", "SMILES:[N]=O"], "synonym": ["Nitric oxide", "Nitric oxide", "Nitric oxide", "Nitric oxide", "Nitric oxide", "Amidogen, oxo-", "Inovent", "Nitric oxide", "Nitric oxide trimer", "Nitrogen oxide (no)", "Nitrosyl radical", "OHM-11771", "Genosyl", "Inomax", "Nitric oxide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL136478", "category": ["biolink:ChemicalEntity"], "name": "SODIUM NITROPRUSSIDE", "synonym": ["Sodium nitroprusside", "Sodium nitroprusside", "Sodium nitroprusside hydrate", "Sodium nitroprusside", "Sodium nitroprusside dihydrate", "Nipruss", "Nitroprusside sodium", "Sodium nitroprusside", "Sodium nitroprusside anhydrous", "Sodium nitroprusside hydrate", "NSC-755844", "Nipride", "Nitropress", "Sodium nitroprusside"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1311", "category": ["biolink:ChemicalEntity"], "name": "ISOSORBIDE MONONITRATE", "xref": ["InChIKey:YWXYYJSYQOXTPL-SLPGGIOYSA-N", "SMILES:O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O"], "synonym": ["Isosorbide mononitrate", "Isosorbide mononitrate", "Isosorbide mononitrate", "Isosorbide mononitrate", "Isosorbide mononitrate", "Mononitrate d'isosorbide", "Mononitrato de isosorbida", "Isosorbide mononitrate", "Isosorbide dinitrate isosorbide-5-mononitrate", "1,1-diureidisobutane", "Corangin", "Iso-5-mononitrate", "Isobutyldiurea", "Isobutylenediurea", "Isosorbide 5-mononitrate", "Isosorbide 5-nitrate", "Isosorbide mononitrate", "Isosorbide-5-mononitrate", "Monocord", "AHR-4698", "BM 22.145", "BM 22.145IS 5-MNAHR-4698", "BM-22-145", "BM-22.145", "BM-22145", "IS 5-MN", "IS-5-MN", "IS-5MN", "NSC-758619", "Angeze 10", "Angeze 20", "Angeze 40", "Angeze sr 40", "Angeze sr 60", "Angitate", "Astrodur mr", "Carmil xl", "Chemydur 60 xl", "Cibral 10", "Cibral 20", "Cibral 40", "Cibral xl 60", "Dynamin", "Dynamin xl 25", "Dynamin xl 50", "Elantan 10", "Elantan 20", "Elantan 40", "Elantan la 25", "Elantan la 50", "Eumon 40 xl", "Eumon 60 xl", "Imdur", "Imo la", "Isib 20", "Isib 40", "Isib 50 xl", "Isib 60 xl", "Ismo", "Ismo 10", "Ismo 20", "Ismo 40", "Ismo ret", "Isodur", "Isodur 25 xl", "Isodur 50 xl", "Isosorbide mononitrate", "Isotard 25 xl", "Isotard 40 xl", "Isotard 50 xl", "Isotard 60 xl", "Isotrate", "Ketanodur", "Mcr 50", "Modisal 40 xl", "Modisal 60 xl", "Modisal la 25", "Modisal la 50", "Monigen xl 60", "Monit", "Monit ls", "Monit sr", "Monit xl 60", "Mono-cedocard 10", "Mono-cedocard 20", "Mono-cedocard 40", "Monodur", "Monoket", "Monomax sr 40", "Monomax sr 60", "Monomax xl", "Monomil xl", "Monosorb xl 60", "Pertil ret", "Phasonit la 50", "Relosorb xl", "Slomon xl 60", "Tardisc xl", "Tenkosorb", "Trangina xl", "Vasotrate 60 sr", "Xismox xl 60", "Zemon 40 xl", "Zemon 60 xl", "Ziotan xl", "Isosorbide mononitrate", "Diluted isosorbide mononitrate", "Isosorbide mononitrate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6622", "category": ["biolink:ChemicalEntity"], "name": "ISOSORBIDE DINITRATE", "xref": ["InChIKey:MOYKHGMNXAOIAT-JGWLITMVSA-N", "SMILES:O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]"], "synonym": ["Isosorbide dinitrate", "Isosorbide dinitrate", "Isosorbide dinitrate", "Isosorbide dinitrate", "Isosorbide dinitrate", "Dinitrate d'isosorbide", "Dinitrato de isosorbida", "Isosorbide dinitrate", "Isosorbide dinitrate", "Diluted-isosorbide dinitrate", "Isomannide dinitrate", "Isomannide-dinitrate", "Isosorbide dinitrate", "Isosorbide dinitrate, diluted", "Isosorbide dinitrate, diluted-", "Isosorbidi dinitras dilutes", "Isosorbidi dinitras dilutus", "Sorbide nitrate", "C01DA08", "NSC-80038", "Angitak", "Carvasin", "Cedocard", "Cedocard ret", "Cedocard-10", "Cedocard-20", "Cedocard-40", "Cedocard-5", "Dilatrate", "Dilatrate-sr", "Imtack", "Iso mack", "Isocard", "Isoket 10", "Isoket 20", "Isoket 5", "Isoket ret 20", "Isoket ret 40", "Isordil", "Isordil tembids", "Isosorbide dinitrate", "Isosorbide dinitrate component of bidil", "Jeridin", "Soni-slo", "Sorbichew", "Sorbid sa", "Sorbid-20 sa", "Sorbid-40 sa", "Sorbidilat", "Sorbitrate", "Vascardin", "Isosorbide dinitrate", "Diluted isosorbide dinitrate", "Diluted isosorbide dinitrate rs", "Isosorbide dinitrate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1456", "category": ["biolink:ChemicalEntity"], "name": "MYCOPHENOLATE MOFETIL", "xref": ["InChIKey:RTGDFNSFWBGLEC-SYZQJQIISA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2"], "synonym": ["Mycophenolate mofetil", "Mycophenolate mofetil", "Mycophenolate mofetil", "Mycophenolate mofetil", "Mycophenolic acid 2-(4-morpholinyl)ethyl ester", "Myclausen", "Mycophenolate mofetil", "Mycophenylate mofetil", "Myhibbin", "NSC-724229", "NSC-758905", "RS-61443", "Arzip", "Cellcept", "Myclausen", "Mycophenolate mofetil", "Mycophenolate mofetil teva", "Myfenax", "Myhibbin", "Mycophenolate mofetil", "Mycophenolate mofetil"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2111369", "category": ["biolink:ProteinFamily"], "name": "Inosine-5'-monophosphate dehydrogenase (IMPDH)"}
{"id": "CHEMBL.COMPOUND:CHEMBL866", "category": ["biolink:ChemicalEntity"], "name": "MYCOPHENOLIC ACID", "xref": ["InChIKey:HPNSFSBZBAHARI-RUDMXATFSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2"], "synonym": ["Mycophenolic acid", "Mycophenolic acid", "Mycophenolic acid", "Acide mycophenolique", "Acido micofenolico", "Mycophenolic acid", "Mycophenolate", "Mycophenolic acid", "68618", "NSC-129185", "RS-61443 [AS MOFETIL]", "Mycophenolic acid", "Mycophenolate mofetil impurity, mycophenolic acid-"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200955", "category": ["biolink:ChemicalEntity"], "name": "MYCOPHENOLATE MOFETIL HYDROCHLORIDE", "xref": ["InChIKey:OWLCGJBUTJXNOF-HDNKIUSMSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2.Cl"], "synonym": ["Mycophenolate mofetil hydrochloride", "Mycophenolate mofetil hcl", "Mycophenolate mofetil hydrochloride", "RS-61443-190", "Cellcept hydrochloride", "Mycophenolate mofetil hydrochloride", "Mycophenolate mofetil hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL727", "category": ["biolink:ChemicalEntity"], "name": "THIOGUANINE", "xref": ["InChIKey:WYWHKKSPHMUBEB-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]cnc2c(=S)[nH]1"], "synonym": ["Tioguanine", "Tioguanine", "Tioguanine", "Thioguanine", "Tioguanine", "Tioguanina", "Thioguanine", "Thioguanine", "Thioguanine anhydrous", "Thioguanine hemihydrate", "Thioguanine, anhydrous", "Tioguanine", "Tioguanine hemihydrate", "NSC-752", "NSC-76504", "Lanvis", "Tabloid", "Thioguanine", "Thioguanine", "Thioguanine"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2111411", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 7"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200480", "category": ["biolink:ChemicalEntity"], "name": "OCTREOTIDE ACETATE", "xref": ["InChIKey:XQEJFZYLWPSJOV-XJQYZYIXSA-N", "SMILES:CC(=O)O.C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O"], "synonym": ["Octreotide acetate", "Octreotide acetate", "Octreotide acetate", "Octreotide acetate", "Octreotide acetate", "Octreolin", "Octreotide (as acetate)", "Octreotide acetate", "SMS 201-995 AC", "SMS-201-995 AC", "SMS-201995-AC", "Bynfezia pen", "Mycapssa", "Octreotide acetate", "Octreotide acetate (preservative free)", "Octreotide acetate preservative free", "Sandostatin", "Sandostatin lar", "Octreotide acetate", "Octreotide acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2111436", "category": ["biolink:ProteinFamily"], "name": "Somatostatin receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL802", "category": ["biolink:ChemicalEntity"], "name": "MINOXIDIL", "xref": ["InChIKey:ZFMITUMMTDLWHR-UHFFFAOYSA-N", "SMILES:Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]"], "synonym": ["Minoxidil", "Minoxidil", "Minoxidil", "Minoxidil", "Minoxidil", "Minoxidil", "Minoxidil", "Alopexil", "Alostil", "Minoxidil", "Minoximen", "Mintop", "Normoxidil", "Pierminox", "Prexidil", "Tricoxidil", "NSC-757106", "U-10,858", "U-10858", "Loniten", "Lonolox", "Men's rogaine", "Minodyl", "Minoxidil", "Minoxidil (for men)", "Minoxidil (for women)", "Minoxidil extra strength (for men)", "Regaine for men", "Regaine for women", "Riup", "Rogaine", "Rogaine (for men)", "Rogaine (for women)", "Rogaine extra strength (for men)", "Theroxidil", "Women's rogaine", "Minoxidil", "Minoxidil"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.TARGET:CHEMBL2095198", "category": ["biolink:MacromolecularComplex"], "name": "Sulfonylurea receptor 2, Kir6.2"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200338", "category": ["biolink:ChemicalEntity"], "name": "PINACIDIL", "xref": ["InChIKey:AFJCNBBHEVLGCZ-UHFFFAOYSA-N", "SMILES:CC(N/C(=N\\C#N)Nc1ccncc1)C(C)(C)C.O"], "synonym": ["Pinacidil", "Pinacidil", "Pinacidil", "Pinacidil monohydrate", "Pinacidil", "Pinacidil monohydrate", "NSC-759588", "Pindac", "Pinacidil"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201454", "category": ["biolink:ChemicalEntity"], "name": "ALSEROXYLON", "synonym": ["Alseroxylon", "Alseroxylon", "Rautensin", "Rauwiloid"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2095203", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor alpha"}
{"id": "CHEMBL.COMPOUND:CHEMBL1706", "category": ["biolink:ChemicalEntity"], "name": "NAPHAZOLINE HYDROCHLORIDE", "xref": ["InChIKey:DJDFFEBSKJCGHC-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2c(CC3=NCCN3)cccc2c1"], "synonym": ["Naphazoline hydrochloride", "Naphazoline nitrate", "Naphazoline hydrochloride", "Naphazoline hydrochloride", "Naphazoline hcl", "Naphazoline hydrochloride", "NSC-35711", "Albalon", "Antistin-privine", "Gppe nsl soln", "Nafazair", "Naphaz hcl", "Naphazoline hydrochloride", "Naphazoline hydrochloride component of naphcon-a", "Naphazoline hydrochloride component of opcon-a", "Naphazoline hydrochloride component of vasocon-a", "Naphazoline hydrochloride component of visine", "Naphazoline hydrochloride component of visine-a", "Naphcon forte", "Opcon", "Vasocon"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200413", "category": ["biolink:ChemicalEntity"], "name": "TETRAHYDROZOLINE HYDROCHLORIDE", "xref": ["InChIKey:BJORNXNYWNIWEY-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2c(c1)CCCC2C1=NCCN1"], "synonym": ["Tetrahydrozoline hydrochloride", "Tetrahydrozoline hydrochloride", "Tetrahydrozoline hydrochloride", "Tetrahydrozoline hydrochloride", "Tetryzoline hydrochloride", "NSC-757339", "Rhinopront", "Tyzine", "Visine", "Yxin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200873", "category": ["biolink:ChemicalEntity"], "name": "PHENTOLAMINE MESYLATE", "xref": ["InChIKey:OGIYDFVHFQEFKQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1"], "synonym": ["Phentolamine mesilate", "Phentolamine mesylate", "Phentolamine methanesulfonate", "Mesylate phentolamine", "Phentolamine mesilate", "Phentolamine mesylate", "Ryzumvi", "NV-101", "Oraverse", "Phentolamine mesylate", "Regitine", "Rogitine", "Ryzumvi"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200791", "category": ["biolink:ChemicalEntity"], "name": "OXYMETAZOLINE HYDROCHLORIDE", "xref": ["InChIKey:BEEDODBODQVSIM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl"], "synonym": ["Oxymetazoline hydrochloride", "Oxymetazoline hydrochloride", "Oxymetazoline hydrochloride", "Oxymetazoline hydrochloride", "Agn-199201", "Oximetazoline hydrochloride", "Oxymetazoline hcl", "Oxymetazoline hydrochloride", "NSC-757254", "SCH 9384", "SCH-9384", "Afrazine", "Ocuclear", "Oxymetazoline hydrochloride component of kovanaze", "Rhofade", "Upneeq", "Visine l.r.", "Oxymetazoline hydrochloride", "Oxymetazoline hydrochloride"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL3559672", "category": ["biolink:ChemicalEntity"], "name": "RAUWOLFIA SERPENTINA", "synonym": ["Rauwolfia alkaloids, whole root", "Rauwolfia serpentina root", "Rauwolfia serpentina alseroxylon", "Rauvolfia serpentina root", "Rauwolfia alkaloids", "Rauwolfia serpentina", "Hiwolfia", "Hyserpin", "Koglucoid", "Raudixin", "Rauserpin", "Rauval", "Rauwolfia serpentina", "Wolfina", "Rauwolfia serpentina"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200787", "category": ["biolink:ChemicalEntity"], "name": "PHENOXYBENZAMINE HYDROCHLORIDE", "xref": ["InChIKey:VBCPVIWPDJVHAN-UHFFFAOYSA-N", "SMILES:CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl"], "synonym": ["Phenoxybenzamine hydrochloride", "Phenoxybenzamine hydrochloride", "Dibenzylin", "Dibenzyline chloride", "Dibenzyline hydrochloride", "Dibenzyran", "Phenoxybenzamine chloride", "Phenoxybenzamine hcl", "NSC-37448", "Dibenyline", "Dibenzyline", "Phenoxybenzamine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200895", "category": ["biolink:ChemicalEntity"], "name": "PHENELZINE SULFATE", "xref": ["InChIKey:RXBKMJIPNDOHFR-UHFFFAOYSA-N", "SMILES:NNCCc1ccccc1.O=S(=O)(O)O"], "synonym": ["Phenelzine sulfate", "Phenelzine sulfate", "Phenelzine acid sulfate", "Phenelzine sulfate", "Phenelzine sulphate", "NSC-170957", "Nardil", "Phenelzine sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2095205", "category": ["biolink:ProteinFamily"], "name": "Monoamine oxidase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200425", "category": ["biolink:ChemicalEntity"], "name": "PARGYLINE HYDROCHLORIDE", "xref": ["InChIKey:BCXCABRDBBWWGY-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1ccccc1.Cl"], "synonym": ["Pargyline hydrochloride", "Pargyline hcl", "A-19120", "MO-911", "NSC-43798", "Eutonyl", "Pargyline hydrochloride component of eutron", "Pargyline hydrochloride", "Pargyline hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201168", "category": ["biolink:ChemicalEntity"], "name": "ISOCARBOXAZID", "xref": ["InChIKey:XKFPYPQQHFEXRZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NNCc2ccccc2)no1"], "synonym": ["Isocarboxazid", "Isocarboxazid", "Isocarboxazid", "Isocarboxazid", "Isocarboxazide", "Isocarboxazida", "Isocarboxazid", "Enerzer", "Isocarboxazid", "NSC-169893", "RO 5-0831", "RO-5-0831", "Marplan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989698", "category": ["biolink:ChemicalEntity"], "name": "TRANYLCYPROMINE SULFATE", "xref": ["InChIKey:BKPRVQDIOGQWTG-ICOOEGOYSA-N", "SMILES:N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1.O=S(=O)(O)O"], "synonym": ["Tranylcypromine sulfate", "Tranylcypromine sulfate", "Tranylcypromine sulfate", "Tranylcypromine sulfate", "Tranylcypromine sulphate", "NSC-757342", "Parnate", "Parstelin", "Tranylcypromine sulfate", "Tranylcypromine sulfate", "Tranylcypromine sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1481", "category": ["biolink:ChemicalEntity"], "name": "GLIMEPIRIDE", "xref": ["InChIKey:WIGIZIANZCJQQY-RUCARUNLSA-N", "SMILES:CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O"], "synonym": ["Glimepiride", "Glimepiride", "Glimepiride", "Glimepiride", "Glimepiride", "Glimepirida", "Glimepiride", "Glimepiride", "Glimepiride", "HOE 490", "HOE-490", "NSC-759809", "Amaryl", "Glimepiride", "Glimepiride component of avandaryl", "Glimepiride component of duetact", "Niddaryl", "Glimepiride", "Glimepiride"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2096972", "category": ["biolink:MacromolecularComplex"], "name": "Sulfonylurea receptor 1, Kir6.2"}
{"id": "CHEMBL.COMPOUND:CHEMBL472", "category": ["biolink:ChemicalEntity"], "name": "GLYBURIDE", "xref": ["InChIKey:ZNNLBTZKUZBEKO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1"], "synonym": ["Glibenclamide", "Glibenclamide", "Glibenclamide", "Glibenclamide", "Glibenclamide", "Glyburide", "Glyburide", "Glibenclamide", "Glibenclamida", "Glibenclamide", "Glyburide", "Cirara", "Glibenclamide", "Glibenclamidum", "Glybenclamide", "Glyburide", "HB 419", "HB-419", "NSC-759618", "U-26,45", "U-26,452", "U-26452", "Amglidia", "Calabren", "Daonil", "Diabeta", "Diabetamide 2.5", "Diabetamide 5", "Euglucon", "Gliken", "Glyburide", "Glyburide (micronized)", "Glyburide component of glucovance", "Glynase", "Lederglib", "Libanil", "Malix", "Micronase", "Semi-daonil", "Glyburide", "Glyburide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL498", "category": ["biolink:ChemicalEntity"], "name": "CHLORPROPAMIDE", "xref": ["InChIKey:RKWGIWYCVPQPMF-UHFFFAOYSA-N", "SMILES:CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1"], "synonym": ["Chlorpropamide", "Chlorpropamide", "Chlorpropamide", "Chlorpropamide", "Clorpropamida", "NSC-44634", "NSC-626720", "Chlorpropamide", "Diabemide", "Diabinese", "Glucamide", "Glymese", "Melitase"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200874", "category": ["biolink:ChemicalEntity"], "name": "TOLBUTAMIDE SODIUM", "xref": ["InChIKey:QKHDBRQBSNZFAK-UHFFFAOYSA-M", "SMILES:CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1.[Na+]"], "synonym": ["Tolbutamide sodium", "Tolbutamide sodium salt", "Sodium tolbutamide", "Tolbutamide sodium salt", "Orinase diagnostic", "Tolbutamide sodium, sterile"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1073", "category": ["biolink:ChemicalEntity"], "name": "GLIPIZIDE", "xref": ["InChIKey:ZJJXGWJIGJFDTL-UHFFFAOYSA-N", "SMILES:Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1"], "synonym": ["Glipizide", "Glipizide", "Glipizide", "Glipizide", "Glipizide", "Glipizida", "Glipizide", "Glipizide", "Glipizide slow release", "CP-28,720", "CP-28720", "K 4024", "K-4024", "NSC-759120", "Glibenese", "Glipizide", "Glipizide component of metaglip", "Glucotrol", "Glucotrol xl", "Minodiab 2.5", "Minodiab 5", "Glipizide", "Glipizide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1589", "category": ["biolink:ChemicalEntity"], "name": "ACETOHEXAMIDE", "xref": ["InChIKey:VGZSUPCWNCWDAN-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1"], "synonym": ["Acetohexamide", "Acetohexamide", "Acetohexamide", "Acetohexamide", "Acetohexamide", "Acetohexamida", "Acetohexamide", "Acetohexamide", "Acetohexamide", "33006", "NSC-759128", "Acetohexamide", "Dimelor", "Dymelor", "Acetohexamide", "Acetohexamide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL817", "category": ["biolink:ChemicalEntity"], "name": "TOLAZAMIDE", "xref": ["InChIKey:OUDSBRTVNLOZBN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1"], "synonym": ["Tolazamide", "Tolazamide", "Tolazamide", "Tolazamide", "Tolazamide", "Tolazamida", "Tolazamide", "NSC-70762", "U-17835", "Tolazamide", "Tolinase", "Tolazamide", "Tolazamide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1272", "category": ["biolink:ChemicalEntity"], "name": "REPAGLINIDE", "xref": ["InChIKey:FAEKWTJYAYMJKF-QHCPKHFHSA-N", "SMILES:CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O"], "synonym": ["Repaglinide", "Repaglinide", "Repaglinide", "Repaglinide", "Repaglinide", "Repaglinide", "Repaglinida", "Repaglinide", "Repaglinide", "Repaglinide", "A10BX02", "AG-EE 623 ZW", "AG-EE-623-ZW", "AG-EE-623ZW", "AGEE-623ZW", "NSC-759893", "Enyglid", "Novonorm", "Prandin", "Repaglinide", "Repaglinide accord", "Repaglinide component of prandimet", "Repaglinide krka", "Repaglinide teva", "Repaglinide", "Repaglinide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL783", "category": ["biolink:ChemicalEntity"], "name": "NATEGLINIDE", "xref": ["InChIKey:OELFLUMRDSZNSF-BRWVUGGUSA-N", "SMILES:CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1"], "synonym": ["Nateglinide", "Nateglinide", "Nateglinide", "Nateglinide", "Nateglinide", "Nateglinide", "Nateglinida", "Nateglinide", "Nateglinide", "D-nateglinide", "Nateglinide", "Senaglinide", "A-4166", "AY-4166", "AY4166", "DJN 608", "DJN-608", "NSC-758695", "SDZ DJN 608", "SDZ-DJN-608", "Nateglinide", "Starlix", "Starsis", "Trazec", "Nateglinide", "Nateglinide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL782", "category": ["biolink:ChemicalEntity"], "name": "TOLBUTAMIDE", "xref": ["InChIKey:JLRGJRBPOGGCBT-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1"], "synonym": ["Tolbutamide", "Tolbutamide", "Tolbutamide", "Tolbutamide", "Tolbutamida", "Tolbutamide", "1-butyl-3-(p-tolylsulfonyl)urea", "Arkozal", "Butamide", "Diabetamid", "Ipoglicone", "Tolbutamide", "Tolbutamidum", "Willbutamide", "NSC-23813", "NSC-87833", "Glyconon", "Orinase", "Pramidex", "Rastinon", "Tolbutamide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL585", "category": ["biolink:ChemicalEntity"], "name": "TRIAMTERENE", "xref": ["InChIKey:FNYLWPVRPXGIIP-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1"], "synonym": ["Triamterene", "Triamterene", "Triamterene", "Triamterene", "Triamterene", "Triamtereno", "Triamterene", "Triamterene", "Triamterene", "NSC-639359", "NSC-77625", "SK&F 8542", "SK&F-8542", "SK-8542", "Dyrenium", "Dytac", "Triamterene component of dyazide", "Triamterene component of maxzide", "Triamterene", "Triamterene"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2107836", "category": ["biolink:MacromolecularComplex"], "name": "Amiloride-sensitive sodium channel, ENaC"}
{"id": "CHEMBL.COMPOUND:CHEMBL1398126", "category": ["biolink:ChemicalEntity"], "name": "AMILORIDE HYDROCHLORIDE", "xref": ["InChIKey:LTKVFMLMEYCWMK-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N.O.O"], "synonym": ["Amiloride hydrochloride", "Amiloride hydrochloride", "Amiloride hydrochloride", "Amiloride hydrochloride dihydrate", "Amiloride hcl", "Amiloride hydrochloride", "Amiloride hydrochloride anhydrous", "Amiloride hydrochloride dehydrate", "Amiloride hydrochloride dihydrate", "Amiloridi hydrochloridum", "Amipramidine", "Anhydrous amiloride hydrochloride", "NSC-755847", "Amilamont", "Amiloride hydrochloride", "Amiloride hydrochloride component of hydro-ride", "Amiloride hydrochloride component of moduretic", "Amilospare 5", "Amoride", "Berkamil", "Midamor", "Amiloride hydrochloride", "Amiloride hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201550", "category": ["biolink:ChemicalEntity"], "name": "DENILEUKIN DIFTITOX", "synonym": ["Denileukin diftitox", "Denileukin diftitox", "Denileukin diftitox", "Denileukin diftitox", "Denileukine diftitox", "Denileukina diftitox", "Denileukin diftitox", "Denileukin", "Denileukin diftitox", "Denileukin diftitox-cxdl", "Lymphir", "DAB(SUB 389)IL2", "DAB-389IL2", "DAB389 IL2", "DAB389IL2", "E-7272", "E-7777", "E7272", "E7777", "LY-335348", "LY335348", "Ontak", "Denileukin diftitox"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Elongation factor 2", "xref": ["CHEMBL.TARGET:CHEMBL1795108"], "id": "UniProtKB:P13639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYUREA", "xref": ["InChIKey:VSNHCAURESNICA-UHFFFAOYSA-N", "SMILES:NC(=O)NO"], "synonym": ["Hydroxycarbamide", "Hydroxyurea", "Hydroxycarbamide", "Hydroxycarbamide", "Hydroxyurea", "Hydroxyurea", "Hydroxycarbamide", "Hidroxicarbamida", "Hydroxycarbamide", "Hydroxyurea", "Hydroxycarbamide", "Hydroxyurea", "Xromi", "NSC-32065", "SQ 1089", "SQ-1089", "Droxia", "Hydrea", "Hydroxyurea", "Siklos", "Xromi", "Hydroxyurea", "Hydroxyurea"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2095215", "category": ["biolink:MacromolecularComplex"], "name": "Ribonucleoside-diphosphate reductase RR1"}
{"id": "CHEMBL.COMPOUND:CHEMBL1750", "category": ["biolink:ChemicalEntity"], "name": "CLOFARABINE", "xref": ["InChIKey:WDDPHFBMKLOVOX-AYQXTPAHSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F"], "synonym": ["Clofarabine", "Clofarabine", "Clofarabine", "Clofarabine", "Clofarabine", "Clofarabine", "Clofarabina", "Clofarabine", "Clofarabine", "Clofarabine", "NSC-759857", "Clolar", "Evoltra", "Ivozall", "Clofarabine"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1637", "category": ["biolink:ChemicalEntity"], "name": "GEMCITABINE HYDROCHLORIDE", "xref": ["InChIKey:OKKDEIYWILRZIA-OSZBKLCCSA-N", "SMILES:Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1"], "synonym": ["Gemcitabine hydrochloride", "Gemcitabine hydrochloride", "Gemcitabine hydrochloride", "Gemcitabine (as hydrochloride)", "Gemcitabine hcl", "Gemcitabine hydrochloride", "LY-188011 HYDROCHLORIDE", "LY188011 HYDROCHLORIDE", "Gemcitabine hydrochloride", "Gemzar", "Infugem", "Gemcitabine hydrochloride", "Gemcitabine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1096882", "category": ["biolink:ChemicalEntity"], "name": "FLUDARABINE PHOSPHATE", "xref": ["InChIKey:GIUYCYHIANZCFB-FJFJXFQQSA-N", "SMILES:Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O"], "synonym": ["Fludarabine phosphate", "Fludarabine phosphate", "Fludarabine phosphate", "Fludarabine phosphate", "Fludarabine 5'-monophosphate", "2-f-ara-amp", "Fludarabine monophosphate", "Fludarabine phosphate", "NSC-312887", "NSC-328002", "Fludara", "Fludarabine phosphate", "Oforta", "Fludarabine phosphate", "Fludarabine phosphate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200983", "category": ["biolink:ChemicalEntity"], "name": "GALLIUM NITRATE", "synonym": ["Gallium nitrate", "Gallium nitrate", "Gallium nitrate nonahydrate", "Gallium nitrate", "Gallium nitrate (anhydrous)", "Gallium nitrate anhydrous", "Nitric acid, gallium salt", "NSC-15200", "Ganite", "Gallium nitrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2095227", "category": ["biolink:ProteinFamily"], "name": "Vascular endothelial growth factor receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1289926", "category": ["biolink:ChemicalEntity"], "name": "AXITINIB", "xref": ["InChIKey:RITAVMQDGBJQJZ-FMIVXFBMSA-N", "SMILES:CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"], "synonym": ["Axitinib", "Axitinib", "Axitinib", "Axitinib", "Axitinib", "Axitinib", "Axitinib", "Axitinib", "AG-013736", "AG-13736", "NSC-757441", "Inlyta", "Axitinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237132", "category": ["biolink:ChemicalEntity"], "name": "CLEVIDIPINE", "xref": ["InChIKey:KPBZROQVTHLCDU-UHFFFAOYSA-N", "SMILES:CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl"], "synonym": ["Clevidipine", "Clevidipine", "Clevidipine", "Clevidipino", "Clevidipine", "Clevidepine", "Clevidepine butyrate", "Clevidipine", "H-324/38", "H324/38", "Cleviprex", "Clevidipine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2095229", "category": ["biolink:ProteinFamily"], "name": "Voltage-gated L-type calcium channel"}
{"id": "CHEMBL.COMPOUND:CHEMBL1648", "category": ["biolink:ChemicalEntity"], "name": "ISRADIPINE", "xref": ["InChIKey:HMJIYCCIJYRONP-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12"], "synonym": ["Isradipine", "Isradipine", "Isradipine", "Isradipine", "Isradipine", "Isradipino", "Isradipine", "Isradipine", "Isrodipine", "NSC-759892", "PN 200-110", "PN-200-110", "Dynacirc", "Dynacirc cr", "Isradipine", "Prescal", "Isradipine", "Isradipine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1697", "category": ["biolink:ChemicalEntity"], "name": "DILTIAZEM HYDROCHLORIDE", "xref": ["InChIKey:HDRXZJPWHTXQRI-BHDTVMLSSA-N", "SMILES:COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl"], "synonym": ["Diltiazem hydrochloride", "Diltiazem hydrochloride", "Diltiazem hydrochloride", "Diltiazem hydrochloride", "Adizem", "Altiazem", "Cartia", "Deltazen", "Diladel", "Dilpral", "Dilrene", "Diltiazem hcl", "Diltiazem hydrochloride", "Dilzem", "Dilzene", "Masdil", "Taztia", "Zilden", "CRD-401", "NSC-759576", "RG 83606", "RG-83606", "Adizem-60", "Adizem-sr", "Adizem-xl", "Angiozem 60", "Angiozem cr 120", "Angiozem cr 90", "Angitil sr 120", "Angitil sr 180", "Angitil sr 90", "Angitil xl 240", "Angitil xl 300", "Anoheal", "Bi-carzem sr", "Bi-carzem xl", "Britiazim", "Calazem", "Calcicard", "Calcicard cr", "Cardizem", "Cardizem cd", "Cardizem la", "Cardizem sr", "Cartia xt", "Dilacor", "Dilacor xr", "Dilcardia sr", "Dilcardia xl", "Dilt-cd", "Diltiazem hydrochloride", "Diltiazem hydrochloride in dextrose 5%", "Diltzac", "Dilzem sr 120", "Dilzem sr 60", "Dilzem sr 90", "Dilzem xl 120", "Dilzem xl 180", "Dilzem xl 240", "Disogram sr", "Horizem sr 120", "Horizem sr 60", "Horizem sr 90", "Kentiazem", "Kenzem sr", "Optil", "Optil sr 120", "Optil sr 180", "Optil sr 90", "Optil xl 240", "Optil xl 300", "Retalzem 60", "Slozem", "Slozem 120", "Slozem 180", "Slozem 240", "Taztia xt", "Tiamex", "Tiazac", "Tildiem", "Tildiem la 200", "Tildiem la 300", "Tildiem ret 120", "Tildiem ret 90", "Uard 120xl", "Uard 180xl", "Uard 240xl", "Uard 300xl", "Viazem xl", "Zemret 180 xl", "Zemret 240 xl", "Zemret 300 xl", "Zemtard 120 xl", "Zemtard 180 xl", "Zemtard 240 xl", "Zemtard 300 xl", "Zildil sr", "Diltiazem hydrochloride", "Diltiazem hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201729", "category": ["biolink:ChemicalEntity"], "name": "DRONEDARONE HYDROCHLORIDE", "xref": ["InChIKey:DWKVCQXJYURSIQ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl"], "synonym": ["Dronedarone hydrochloride", "Dronedarone hydrochloride", "Dronedarone hydrochloride", "Dronedarone hcl", "SR-33598B", "SR33598B", "Multaq", "Dronedarone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200984", "category": ["biolink:ChemicalEntity"], "name": "AMLODIPINE MALEATE", "xref": ["InChIKey:TZNOWAJJWCGILX-BTJKTKAUSA-N", "SMILES:CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)/C=C\\C(=O)O"], "synonym": ["Amlodipine maleate", "Amlodipine maleate", "Amlodipine maleate", "UK-48,340-11", "UK-48340-11", "Amvaz", "Amlodipine maleate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1280", "category": ["biolink:ChemicalEntity"], "name": "VERAPAMIL HYDROCHLORIDE", "xref": ["InChIKey:DOQPXTMNIUCOSY-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl"], "synonym": ["Verapamil hydrochloride", "Verapamil hydrochloride", "Verapamil hydrochloride", "Verapamil hydrochloride", "Verapamil hcl", "Verapamil hydrochloride", "Verapamili hydrochloridum", "CP-16533-1", "LU-20175", "NSC-272366", "NSC-657799", "Berkatens", "Calan", "Calan sr", "Cordilox", "Cordilox i.v.", "Cordilox mr 240", "Covera", "Covera-hs", "Ethimil mr 240", "Geangin", "Half securon sr", "Isoptin", "Isoptin sr", "Manidon sr", "Ranvera mr", "Securon", "Securon iv", "Securon mid", "Securon sr", "Univer", "Vera-til sr", "Verapamil hydrochloride", "Verapamil hydrochloride component of tarka", "Verapress mr 240", "Verelan", "Verelan pm", "Vertab sr 240", "Zolvera", "Verapamil hydrochloride", "Verapamil hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL193", "category": ["biolink:ChemicalEntity"], "name": "NIFEDIPINE", "xref": ["InChIKey:HYIMSNHJOBLJNT-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]"], "synonym": ["Nifedipine", "Nifedipine", "Nifedipine", "Nifedipine", "Nifedipine", "Nifedipino", "Nifedipine", "Nifedipine", "Coracten", "Nifedipine", "Nifedipine hydrochloride", "Nifedipine slow release", "Nifedipinum", "BAY A 1040", "BAY-A-1040", "NSC-757242", "Adalat", "Adalat a.r.", "Adalat cc", "Adalat ic", "Adalat la 20", "Adalat la 30", "Adalat la 60", "Adalat ret", "Adalate lp", "Adanif xl", "Adipine mr 10", "Adipine mr 20", "Adipine xl", "Afeditab cr", "Angiopine 10", "Angiopine 40 la", "Angiopine 5", "Angiopine mr 10", "Angiopine mr 20", "Calanif", "Calchan mr 10", "Calchan mr 20", "Calcilat", "Cardilate mr", "Coracten sr", "Coracten xl", "Coroday mr", "Fortipine la40", "Genalat 10 ret", "Genalat 20 ret", "Hypolar ret 10", "Hypolar ret 20", "Hypolar xl 30", "Kentipine", "Kentipine mr 10", "Kentipine mr 20", "Neozipine xl", "Nife-wolff", "Nifedipine", "Nifedipress mr 10", "Nifedipress mr 20", "Nifedotard 20 mr", "Nifelease", "Nifensar xl", "Nifopress mr", "Nifopress ret", "Nimodrel mr 10", "Nimodrel mr 20", "Nimodrel xl", "Nivaten ret", "Procardia", "Procardia xl", "Slofedipine xl 30", "Slofedipine xl 60", "Tensipine mr 10", "Tensipine mr 20", "Unipine xl", "Valni 20 ret", "Valni xl", "Vasad", "Nifedipine", "Nifedipine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200805", "category": ["biolink:ChemicalEntity"], "name": "DILTIAZEM MALATE", "xref": ["InChIKey:IUSFTUWHKCSCDY-BHDTVMLSSA-N", "SMILES:COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.O=C(O)CC(O)C(=O)O"], "synonym": ["Diltiazem malate", "Diltiazem malate", "MK-793", "Diltiazem malate component of teczem", "Tiamate", "Diltiazem malate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200402", "category": ["biolink:ChemicalEntity"], "name": "AMLODIPINE BESYLATE", "xref": ["InChIKey:ZPBWCRDSRKPIDG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1"], "synonym": ["Amlodipine besylate", "Amlodipine besilate", "Amlodipine benzenesulfonate", "Amlodipine (as besilate)", "Amlodipine besilate", "Amlodipine besylate", "Amlor", "Antacal", "Lodipressin", "Monopina", "Norliqva", "NSC-758922", "UK-48,340-26", "UK-48340-26", "Amlodipine besylate", "Amlodipine besylate component of amlessa", "Amlodipine besylate component of amturnide", "Amlodipine besylate component of azor", "Amlodipine besylate component of caduet", "Amlodipine besylate component of consensi", "Amlodipine besylate component of copalia", "Amlodipine besylate component of dafiro  amlodipine besilate", "Amlodipine besylate component of dafiro-hct  amlodipine besilate", "Amlodipine besylate component of exforge", "Amlodipine besylate component of exforge  amlodipine besilate", "Amlodipine besylate component of exforge hct", "Amlodipine besylate component of exforge-hct  amlodipine besilate", "Amlodipine besylate component of imprida  amlodipine besilate", "Amlodipine besylate component of imprida-hct  amlodipine besilate", "Amlodipine besylate component of lotrel", "Amlodipine besylate component of onduarp", "Amlodipine besylate component of prestalia", "Amlodipine besylate component of tekamlo", "Amlodipine besylate component of tribenzor", "Amlodipine besylate component of twynsta", "Norliqva", "Norvasc", "Amlodipine besylate", "Amlodipine besylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200326", "category": ["biolink:ChemicalEntity"], "name": "NICARDIPINE HYDROCHLORIDE", "xref": ["InChIKey:AIKVCUNQWYTVTO-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl"], "synonym": ["Nicardipine hydrochloride", "Nicardipine hydrochloride", "Nicardipine hydrochloride", "Nicardipine hydrochloride", "Barizin", "Cardepine", "Dacarel", "Lecibra", "Lecibral", "Lescodil", "Loxen", "Nerdipina", "Nicant", "Nicapress", "Nicardal", "Nicardipine hcl", "Nicardipine hydrochloride", "Nicarpin", "Nicodel", "Nimicor", "Perdipina", "Perdipine", "Ranvil", "Ridene", "Rycarden", "Rydene", "Vasodin", "Vasonase", "NSC-757855", "RS-69216", "RS-69216-XX-07-0", "RS-69216XX07-0", "YC-93", "Cardene", "Cardene sr", "Nicardipine hydrochloride", "Nicardipine hydrochloride", "Nicardipine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1726", "category": ["biolink:ChemicalEntity"], "name": "NISOLDIPINE", "xref": ["InChIKey:VKQFCGNPDRICFG-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]"], "synonym": ["Nisoldipine", "Nisoldipine", "Nisoldipine", "Nisoldipine", "Nisoldipine", "Nisoldipino", "Nisoldipine", "Nisoldipine", "Baymycard", "Geomatrix 16e", "Nisoldipin", "Nisoldipine", "Nisoldipine (stn)", "BAY K 5552", "BAY-K-5552", "NSC-759106", "Nisocor", "Nisoldipine", "Sular", "Syscor mr 10", "Syscor mr 20", "Syscor mr 30", "Nisoldipine", "Nisoldipine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL218394", "category": ["biolink:ChemicalEntity"], "name": "BOCEPREVIR", "xref": ["InChIKey:LHHCSNFAOIFYRV-DOVBMPENSA-N", "SMILES:CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C"], "synonym": ["Boceprevir", "Boceprevir", "Boceprevir", "Boceprevir", "Boceprevir", "Boceprevir", "Boceprevir", "Sch 50304", "EBP 520", "EBP-520", "SCH 503034", "SCH-503034", "Victrelis", "Boceprevir"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2095231", "category": ["biolink:MacromolecularComplex"], "name": "Hepatitis C virus serine protease, NS3/NS4A"}
{"id": "CHEMBL.COMPOUND:CHEMBL231813", "category": ["biolink:ChemicalEntity"], "name": "TELAPREVIR", "xref": ["InChIKey:BBAWEDCPNXPBQM-GDEBMMAJSA-N", "SMILES:CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1"], "synonym": ["Telaprevir", "Telaprevir", "Telaprevir", "Telaprevir", "Telaprevir", "Telaprevir", "Telaprevir", "Telaprevir", "LY 570310", "LY-570310", "MP 424", "MP-424", "VRT 111950", "VRT-111950", "VX 950", "VX-950", "Incivek", "Incivo", "Telaprevir"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201092", "category": ["biolink:ChemicalEntity"], "name": "RIVASTIGMINE TARTRATE", "xref": ["InChIKey:GWHQHAUAXRMMOT-MBANBULQSA-N", "SMILES:CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O"], "synonym": ["Rivastigmine tartrate", "Rivastigmine tartrate", "Rivastigmine hydrogen tartrate", "Rivastigmine actavis", "Rivastigmine bitartrate", "Rivastigmine hydrogen tartrate", "Rivastigmine hydrogentartrate", "Rivastigmine tartrate", "Sdz-ena 713", "ENA 713", "Exelon", "Exelon tartrate", "Nimvastid", "Prometax", "Rivastigmine 1 a pharma", "Rivastigmine actavis", "Rivastigmine hexal", "Rivastigmine sandoz", "Rivastigmine tartrate", "Rivastigmine teva", "Rivastigmine tartrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2095233", "category": ["biolink:ProteinFamily"], "name": "Cholinesterases; ACHE & BCHE"}
{"id": "CHEMBL.COMPOUND:CHEMBL636", "category": ["biolink:ChemicalEntity"], "name": "RIVASTIGMINE", "xref": ["InChIKey:XSVMFMHYUFZWBK-NSHDSACASA-N", "SMILES:CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1"], "synonym": ["Rivastigmine", "Rivastigmine", "Rivastigmine", "Rivastigmine", "Rivastigmine", "Rivastigmina", "Rivastigmine", "Rivastigmine", "Rivastigmine", "ENA-713", "ENA-713D", "ONO-2540", "SDZ-212-713", "SDZ-212713", "SDZ-ENA-713", "Exelon", "Rivastigmine", "Rivastigmine 3m health care ltd", "Rivastigmine", "Rivastigmine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1677", "category": ["biolink:ChemicalEntity"], "name": "TACRINE HYDROCHLORIDE", "xref": ["InChIKey:ZUFVXZVXEJHHBN-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccccc13)CCCC2"], "synonym": ["Tacrine hydrochloride", "Tacrine hydrochloride", "Tacrine hcl", "Tacrine hydrochloride", "CI-970", "NSC-72108", "Alzyme", "Cognex", "Tacrine hydrochloride", "Tacrine hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201834", "category": ["biolink:ChemicalEntity"], "name": "CANAKINUMAB", "synonym": ["Canakinumab", "Canakinumab", "Canakinumab", "Canakinumab", "Canakinumab", "Canakinumab", "Canakinumab", "Canakinumab", "ACZ-885", "ACZ885", "Ilaris", "Canakinumab"], "chembl_availability_type": "prescription only"}
{"name": "Interleukin-1 beta", "xref": ["CHEMBL.TARGET:CHEMBL1909490"], "id": "UniProtKB:P01584", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201830", "category": ["biolink:ChemicalEntity"], "name": "RILONACEPT", "synonym": ["Rilonacept", "Rilonacept", "Rilonacept", "Rilonacept", "Rilonacept", "Kpl-914", "Rilonacept", "IL-1 TRAP", "IL-1-TRAP", "INTERLEUKIN-1 TRAP", "KPL-914", "Arcalyst", "Rilonacept regeneron (previously arcalyst)", "Rilonacept"], "chembl_availability_type": "prescription only"}
{"name": "Matrix protein 2", "xref": ["CHEMBL.TARGET:CHEMBL1932894"], "id": "UniProtKB:P06821", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:211044"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1237082", "category": ["biolink:ChemicalEntity"], "name": "MECAMYLAMINE HYDROCHLORIDE", "xref": ["InChIKey:PKVZBNCYEICAQP-UHFFFAOYSA-N", "SMILES:CNC1(C)C2CCC(C2)C1(C)C.Cl"], "synonym": ["Mecamylamine hydrochloride", "Mecamylamine hydrochloride", "Mecamylamine hcl", "Mecamylamine hydrochloride", "NSC-757086", "Inversine", "Mecamylamine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL1907594", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha3/beta4"}
{"id": "CHEMBL.COMPOUND:CHEMBL1318287", "category": ["biolink:ChemicalEntity"], "name": "PENTOLINIUM TARTRATE", "xref": ["InChIKey:HSMKTIKKPMTUQH-WBPXWQEISA-L", "SMILES:C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O"], "synonym": ["Pentolinium tartrate", "Pentolonium tartrate", "Tartrate de pentolonium", "Tartrato de pentolonio", "NSC-759890", "Ansolysen"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1245", "category": ["biolink:ChemicalEntity"], "name": "TRIMETHAPHAN CAMSYLATE", "xref": ["InChIKey:HALWUDBBYKMYPW-UHFFFAOYSA-M", "SMILES:CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1"], "synonym": ["Trimetaphan camsilate", "Trimethaphan camsylate", "Trimetaphan camsilate", "Camsilate de trimetaphan", "Cansilato de trimetafan", "NU-2222", "Arfonad"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL1907598", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-V/beta-3"}
{"id": "CHEMBL.TARGET:CHEMBL1907599", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-4/beta-1"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107333", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYL FUMARATE", "xref": ["InChIKey:LDCRTTXIJACKKU-ONEGZZNKSA-N", "SMILES:COC(=O)/C=C/C(=O)OC"], "synonym": ["Dimethyl fumarate", "Dimethyl fumar", "Dimethyl fumarate", "Dimethyl fumarate", "Dimethyl fumarate", "Dimethyl fumarate", "Fumaric acid dimethyl ester", "Dimethyl fumarate", "Las41008", "Panaclar", "AZL 0 211089", "AZL O 211089", "AZL-0211089", "AZL-O-211089", "BG 00012", "BG 12", "BG-00012", "BG-12", "BG00012", "FAG-201", "FP-187", "FP187", "LAS-41008", "LAS41008", "NSC-167432", "NSC-25942", "Dimethyl fumarate accord", "Dimethyl fumarate mylan", "Dimethyl fumarate neuraxpharm", "Dimethyl fumarate polpharma", "Dimethyl fumarate teva", "Skilarence", "Tecfidera", "Dimethyl fumarate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Kelch-like ECH-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL2069156"], "id": "UniProtKB:Q14145", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ryanodine receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL2062"], "id": "UniProtKB:Q15413", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545058", "category": ["biolink:ChemicalEntity"], "name": "DEXTROTHYROXINE SODIUM", "xref": ["InChIKey:ANMYAHDLKVNJJO-CURYUGHLSA-M", "SMILES:N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].O.[Na+]"], "synonym": ["Dextrothyroxine sodium", "Dextrothyroxine sodium", "Dextrothyroxine sodium", "Dextrothyroxine sodique", "Dextrotiroxina de sodio", "D-thyroxine sodium salt", "Anhydrous dextrothyroxine sodium", "Dextrothyroxine sodium", "Dextrothyroxine sodium anhydrous", "Dextrothyroxine sodium hydrate", "Monosodium d-thyroxine hydrate", "Sodium dextrothyroxine", "Choloxin", "Dextrothyroxine sodium", "Dextrothyroxine sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2111462", "category": ["biolink:MacromolecularComplex"], "name": "Thyroid hormone receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201119", "category": ["biolink:ChemicalEntity"], "name": "LIOTHYRONINE SODIUM", "xref": ["InChIKey:SBXXSUDPJJJJLC-YDALLXLXSA-M", "SMILES:N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]"], "synonym": ["Liothyronine sodium", "Liothyronine sodium", "Liothyronine sodium", "Liotrix (t3)", "T3 (liotrix)", "Liothyronine hydrochloride", "Liothyronine sodium salt", "Basoprocin", "Cytobin", "Ibiothyron", "L-triiodothyronine hydrochloride", "L-triiodothyronine sodium salt", "Liothyronine hydrochloride", "Liothyronine sodium", "Liotrix (t3)", "Lyothyronin", "Rathyronine hydrochloride, (s)-", "Rathyronine sodium, (s)-", "T3 sodium salt", "Triiodothyronine sodium salt", "NSC-758175", "NSC-80774", "Cynomel", "Cytomel", "Liothyronine sodium", "Tertroxin", "Thybon", "Triiodothyronine", "Triiodothyronine,evans", "Triostat"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL559", "category": ["biolink:ChemicalEntity"], "name": "DEXTROTHYROXINE", "xref": ["InChIKey:XUIIKFGFIJCVMT-GFCCVEGCSA-N", "SMILES:N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"], "synonym": ["Dextrothyroxine", "Dextrothyroxine", "D-thyroxine", "Dextrothyroxine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1544", "category": ["biolink:ChemicalEntity"], "name": "LIOTHYRONINE", "xref": ["InChIKey:AUYYCJSJGJYCDS-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O"], "synonym": ["Liothyronine", "Liothyronine", "Liotironina", "Liothyronine", "3,5,3'-triiodothyronine, l-", "Cyronine", "Euthroid-0.5", "Euthroid-1", "Euthroid-2", "Euthroid-3", "Liothyronine", "Rathyronine, (s)-", "Thyrolar-0.25", "Thyrolar-0.5", "Thyrolar-1", "Thyrolar-2", "Thyrolar-3", "Thyrolar-5", "Triiodothyronine (t3 or liothyronine, active) (6-11%)", "NSC-80203", "Levothyroxine sodium related compound liothyronine", "Liothyronine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103741", "category": ["biolink:ChemicalEntity"], "name": "LEVOTHYROXINE SODIUM", "xref": ["InChIKey:ANMYAHDLKVNJJO-LTCKWSDVSA-M", "SMILES:N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].O.[Na+]"], "synonym": ["Levothyroxine sodium", "Levothyroxine sodium", "Levothyroxine sodium", "Liotrix (t4)", "T4 (liotrix)", "Levothyroxine sodium", "Levothyroxine sodique", "Levotiroxina de sodio", "Levothyroxine sodium hydrate", "Levothyroxine sodium hydrate", "Thyroxine sodium salt", "Eferox", "Levaxin", "Levothyrox", "Levothyroxine sodium", "Levothyroxine sodium anhydrous", "Levothyroxine sodium pentahydrate", "Levothyroxinum natricum anhydrous", "Liotrix (t4)", "Monosodium l-thyroxine hydrate", "Oroxine", "Sodium levothyroxine pentahydrate", "Soloxine", "Thyroxine sodium", "NSC-259940", "Eltroxin", "Ermeza", "Euthyrox", "Evotrox", "L-thyroxine henning", "Levo-t", "Levolet", "Levothroid", "Levothyroxine sodium", "Levoxyl", "Novothyrox", "Synthroid", "Thyquidity", "Thyro-tabs", "Tirosint", "Tirosint-sol", "Unithroid"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200682", "category": ["biolink:ChemicalEntity"], "name": "SODIUM OXYBATE", "xref": ["InChIKey:XYGBKMMCQDZQOZ-UHFFFAOYSA-M", "SMILES:O=C([O-])CCCO.[Na+]"], "synonym": ["Sodium oxybate", "Sodium oxybate", "Sodium oxybate", "Sodium oxybate", ".gamma.-hydroxybutyrate sodium salt", "Catabate", "Lumryz", "Oxybate sodium", "Sodium oxybat", "Sodium oxybate", "Sodium oxybutyrate", "NSC-84223", "WY-3478", "Lumryz", "Sodium oxybate component of xywav", "Xyrem", "Sodium oxybate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2111463", "category": ["biolink:MacromolecularComplex"], "name": "GABA-B receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL701", "category": ["biolink:ChemicalEntity"], "name": "BACLOFEN", "xref": ["InChIKey:KPYSYYIEGFHWSV-UHFFFAOYSA-N", "SMILES:NCC(CC(=O)O)c1ccc(Cl)cc1"], "synonym": ["Baclofen", "Baclofen", "Baclofen", "Baclofen", "Baclofen", "Baclofene", "Baclofeno", "Baclofen", "Baclofen", "(rs)-baclofen", "Baclofen", "Fleqsuvy", "Lyvispah", "BA-34,647", "BA-34647", "NSC-755906", "Baclofen", "Baclospas-10", "Fleqsuvy", "Gablofen", "Kemstro", "Lioresal", "Lioresal intrath", "Lyflex", "Lyvispah", "Ozobax", "Ozobax ds", "Baclofen", "Baclofen"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1337", "category": ["biolink:ChemicalEntity"], "name": "NITISINONE", "xref": ["InChIKey:OUBCNLGXQFSTLU-UHFFFAOYSA-N", "SMILES:O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]"], "synonym": ["Nitisinone", "Nitisinone", "Nitisinone", "Nitisinone", "Nitisinone", "Nitisinona", "Nitisinone", "Nitisinone", "Nitisinone", "SC-0735", "Nitisinone mdk (previously nitisinone mendelikabs)", "Nityr", "Orfadin", "Nitisinone"], "chembl_availability_type": "prescription only"}
{"name": "4-hydroxyphenylpyruvate dioxygenase", "xref": ["CHEMBL.TARGET:CHEMBL1861"], "id": "UniProtKB:P32754", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kappa-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL237"], "id": "UniProtKB:P41145", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201037", "category": ["biolink:ChemicalEntity"], "name": "EFLORNITHINE HYDROCHLORIDE", "xref": ["InChIKey:FJPAMFNRCFEGSD-UHFFFAOYSA-N", "SMILES:Cl.NCCCC(N)(C(=O)O)C(F)F.O"], "synonym": ["Eflornithine hydrochloride", "Eflornithine hydrochloride", "Eflornithine hydrochloride", "Eflornithine hydrochloride monohydrate", "Dfmo hcl", "Difluromethylornithine", "Eflornithine hcl", "Eflornithine hydrochloride", "Iwilfin", "MDL 71,782 A", "MDL-71782-A", "MDL-71782A", "NSC-270295", "NSC-337250", "RMI-71782-A", "Iwilfin", "Ornidyl", "Vaniqa", "Eflornithine hydrochloride", "Eflornithine hydrochloride"], "chembl_availability_type": "prescription only"}
{"name": "Ornithine decarboxylase", "xref": ["CHEMBL.TARGET:CHEMBL1869"], "id": "UniProtKB:P11926", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200585", "category": ["biolink:ChemicalEntity"], "name": "OXYMETHOLONE", "xref": ["InChIKey:ICMWWNHDUZJFDW-DHODBPELSA-N", "SMILES:C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"], "synonym": ["Oxymetholone", "Oxymetholone", "Oxymetholone", "Oxymetholone", "Oxymetholone", "Oximetolona", "Oxymetholone", "Anapolon", "Anasteron", "Oximetholone", "Oxymetholone ciii", "Pardroyd", "CI-406", "HMD", "NSC-26,198", "NSC-26198", "Adroyd", "Anadrol-50", "Anapolon 50", "Oxymetholone", "Oxymetholone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Androgen receptor", "xref": ["CHEMBL.TARGET:CHEMBL1871"], "id": "UniProtKB:P10275", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL806", "category": ["biolink:ChemicalEntity"], "name": "FLUTAMIDE", "xref": ["InChIKey:MKXKFYHWDHIYRV-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"], "synonym": ["Flutamide", "Flutamide", "Flutamide", "Flutamide", "Flutamide", "Flutamida", "Flutamide", "Flutamide", "Flutamide", "NSC-215876", "SCH 13521", "SCH-13521", "Chimax", "Drogenil", "Eulexin", "Flutamide", "Flutamide", "Flutamide"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1274", "category": ["biolink:ChemicalEntity"], "name": "NILUTAMIDE", "xref": ["InChIKey:XWXYUMMDTVBTOU-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O"], "synonym": ["Nilutamide", "Nilutamide", "Nilutamide", "Nilutamide", "Nilutamida", "Nilutamide", "Nilutamide", "NSC-758683", "RU 23908", "RU-23908", "Anadron", "Nilandron", "Nilutamide", "Nilutamide", "Nilutamide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201048", "category": ["biolink:ChemicalEntity"], "name": "DROMOSTANOLONE PROPIONATE", "xref": ["InChIKey:NOTIQUSPUUHHEH-UXOVVSIBSA-N", "SMILES:CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Drostanolone propionate", "Dromostanolone propionate", "Drostanolone propionate", "Dromostanolone propionate", "Masterid", "Masteron", "Permastril", "32379", "NSC-12198", "NSC-1298", "Drolban", "Masteril", "Dromostanolone propionate", "Dromostanolone propionate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL409", "category": ["biolink:ChemicalEntity"], "name": "BICALUTAMIDE", "xref": ["InChIKey:LKJPYSCBVHEWIU-UHFFFAOYSA-N", "SMILES:CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"], "synonym": ["Bicalutamide", "Bicalutamide", "Bicalutamide", "Bicalutamide", "Bicalutamide", "Bicalutamida", "Bicalutamide", "Bicalutamide", "Bicalutamide", "ICI 176,334", "ICI-176334", "ICI176,334-1", "NSC-759816", "Bicalutamide", "Calutide", "Casodex", "Cosudex", "Kalumid", "Bicalutamide", "Bicalutamide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1395", "category": ["biolink:ChemicalEntity"], "name": "METHYLTESTOSTERONE", "xref": ["InChIKey:GCKMFJBGXUYNAG-HLXURNFRSA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"], "synonym": ["Methyltestosterone", "Methyltestosterone", "Methyltestosterone", "Methyltestosterone", "Metiltestosterona", "17-methyltestosterone", "Methyltestosterone", "CDB-110", "L 589.372", "L-589.372", "L-589372", "NSC-139965", "NSC-9701", "RU 24400", "RU-24400", "U-2842", "Android", "Android 10", "Android 25", "Android 5", "Metandren", "Methitest", "Methyltestosterone", "Oreton", "Oreton methyl", "Perandren", "Plex hormone", "Potensan fte", "Testovis", "Testred", "Virilon", "Methyltestosterone ciii", "Oxandrolone impurity, methyltestosterone-"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200623", "category": ["biolink:ChemicalEntity"], "name": "ETHYLESTRENOL", "xref": ["InChIKey:AOXRBFRFYPMWLR-XGXHKTLJSA-N", "SMILES:CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C"], "synonym": ["Ethylestrenol", "Ethylestrenol", "Ethylestrenol", "Ethylestrenol", "Etilestrenol", "Ethylnandrol", "Durabolin-o", "Duraboral", "Ethylnandrol", "Ethyloestrenol", "Orabolin", "NSC-37726", "Maxibolin", "Ethylestrenol"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2079587", "category": ["biolink:ChemicalEntity"], "name": "STANOZOLOL", "xref": ["InChIKey:LKAJKIOFIWVMDJ-IYRCEVNGSA-N", "SMILES:C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"], "synonym": ["Stanozolol", "Stanozolol", "Stanozolol", "Stanozolol", "Stanozolol", "Estanozolol", "Stanozolol", "Androstanazol", "Androstanazole", "Stanozolol", "Stanozolol ciii", "Winstrol depot", "NSC-233046", "NSC-43193", "WIN 14833", "WIN-14833", "Stromba", "Tevabolin", "Winstrol", "Stanozolol", "Stanozolol"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1170", "category": ["biolink:ChemicalEntity"], "name": "TESTOSTERONE PROPIONATE", "xref": ["InChIKey:PDMMFKSKQVNJMI-BLQWBTBKSA-N", "SMILES:CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Testosterone propionate", "Testosterone propionate", "Testosterone propionate", "Orchisterone", "Testosteron 17-propionate", "Testosterone 17.beta.-propionate", "Testosterone propionate", "Testosteroni propionas", "Virormone", "NRB-03689", "NSC-9166", "Testosterone propionate", "Testosterone propionate ciii"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200335", "category": ["biolink:ChemicalEntity"], "name": "TESTOSTERONE ENANTHATE", "xref": ["InChIKey:VOCBWIIFXDYGNZ-IXKNJLPQSA-N", "SMILES:CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Testosterone enantate", "Testosterone enanthate", "Testosterone enanthate", "Androtardyl", "Testosterone enanthate", "Testosteroni enantas", "Xyosted", "NSC-17591", "Delatestryl", "Primoteston depot", "Testosterone enanthate", "Testosterone enanthate component of ditate-ds", "Xyosted (autoinjector)", "Testosterone enanthate ciii"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200946", "category": ["biolink:ChemicalEntity"], "name": "NANDROLONE DECANOATE", "xref": ["InChIKey:JKWKMORAXJQQSR-MOPIKTETSA-N", "SMILES:CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C"], "synonym": ["Nandrolone decanoate", "Nandrolone decanoate", "Nandrolone decanoate", "Nandrolone decanoate", "Nandrolone decanoate", "Deca-durabolin", "Nandrolone decanoate", "Nandrolone decanoate", "Nandrolone decanoate", "Nandrolone decanoate ciii"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200436", "category": ["biolink:ChemicalEntity"], "name": "OXANDROLONE", "xref": ["InChIKey:QSLJIVKCVHQPLV-PEMPUTJUSA-N", "SMILES:C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"], "synonym": ["Oxandrolone", "Oxandrolone", "Oxandrolone", "Oxandrolone", "Oxandrolone", "Oxandrolona", "Oxandrolone", "Oxandrolone", "Lonavar", "Oxandrolone", "Provitar", "Vasorome", "NSC-67068", "SC 11585", "SC-11585", "Anavar", "Oxandrin", "Oxandrolone", "Oxandrolone", "Oxandrolone", "Oxandrolone ciii"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201101", "category": ["biolink:ChemicalEntity"], "name": "TESTOSTERONE CYPIONATE", "xref": ["InChIKey:HPFVBGJFAYZEBE-ZLQWOROUSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1"], "synonym": ["Testosterone cypionate", "Testosterone 17.beta.-cyclopentanepropionate", "Testosterone cipionate", "Testosterone cypionate", "NSC-9157", "Andro-cyp", "Azmiro", "Depo-testosterone", "Depotest", "Testosterone cypionate", "Testosterone cypionate component of depo-testadiol", "Testosterone cypionate ciii"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL386630", "category": ["biolink:ChemicalEntity"], "name": "TESTOSTERONE", "xref": ["InChIKey:MUMGGOZAMZWBJJ-DYKIIFRCSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"], "synonym": ["Testosterone", "Testosterone", "Testosterone", "Testosterone", "Testosterone", "Testosterone", "Testosterona", "Android-t", "Androlan", "Homosterone", "Livensa", "Testiculosterone", "Testosterone", "Virosterone", "NSC-9700", "TESTIM", "Androderm", "Androgel", "Androgel 1%", "Andropatch", "Axiron", "Fortesta", "Intrinsa", "Livensa", "Natesto", "Striant", "Striant sr", "Testim", "Testim 1%", "Testoderm", "Testoderm tts", "Testogel", "Testopatch", "Testopel", "Testoral", "Testosterone", "Tostran", "Vogelxo", "Testosterone", "Testosterone ciii"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1445", "category": ["biolink:ChemicalEntity"], "name": "FLUOXYMESTERONE", "xref": ["InChIKey:YLRFCQOZQXIBAB-RBZZARIASA-N", "SMILES:C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"], "synonym": ["Fluoxymesterone", "Fluoxymesterone", "Fluoxymesterone", "Fluoxymesterone", "Fluoximesterona", "Fluoxymesterone", "Fluoxymesterone", "NSC-10704", "NSC-12165", "Android-f", "Androxy", "Fluoxymesterone", "Halotestin", "Ora-testryl", "Fluoxymesterone ciii"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1082407", "category": ["biolink:ChemicalEntity"], "name": "ENZALUTAMIDE", "xref": ["InChIKey:WXCXUHSOUPDCQV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F"], "synonym": ["Enzalutamide", "Enzalutamide", "Enzalutamide", "Enzalutamide", "Enzalutamide", "Enzalutamida", "Enzalutamide", "Enzalutamide", "Mdv 3100", "MDV-3100", "MDV3100", "Xtandi", "Enzalutamide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200412", "category": ["biolink:ChemicalEntity"], "name": "NANDROLONE PHENPROPIONATE", "xref": ["InChIKey:UBWXUGDQUBIEIZ-QNTYDACNSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1"], "synonym": ["Nandrolone phenylpropionate", "Nandrolone phenpropionate", "NSC-23162", "Durabolin", "Nandrolone phenpropionate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1516474", "category": ["biolink:ChemicalEntity"], "name": "TEGASEROD MALEATE", "xref": ["InChIKey:CPDDZSSEAVLMRY-FEQFWAPWSA-N", "SMILES:CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12.O=C(O)/C=C\\C(=O)O"], "synonym": ["Tegaserod maleate", "Tegaserod maleate", "Tegaserod maleate", "HTF 919", "HTF-919", "NSC-760425", "Zelmac", "Zelnorm", "Tegaserod maleate"], "chembl_availability_type": "withdrawn"}
{"name": "5-hydroxytryptamine receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL1875"], "id": "UniProtKB:Q13639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200788", "category": ["biolink:ChemicalEntity"], "name": "CISAPRIDE MONOHYDRATE", "xref": ["InChIKey:QBYYXIDJOFZORM-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC.O"], "synonym": ["Cisapride monohydrate", "Alimix", "Prepulsid", "Prepulsid quicklet", "Propulsid", "Propulsid quicksolv"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1084172", "category": ["biolink:ChemicalEntity"], "name": "VILANTEROL TRIFENATATE", "xref": ["InChIKey:KLOLZALDXGTNQE-JIDHJSLPSA-N", "SMILES:O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O"], "synonym": ["Vilanterol trifenatate", "Vilanterol trifenatate", "Vilanterol (as trifenatate)", "Vilanterol trifenatate", "GW-642444M", "GW642444M", "Vilanterol trifenatate component of anoro ellipta", "Vilanterol trifenatate component of breo ellipta", "Vilanterol trifenatate component of trelegy ellipta", "Vilanterol trifenatate"], "chembl_availability_type": "prescription only"}
{"name": "Beta-2 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL210"], "id": "UniProtKB:P07550", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL714", "category": ["biolink:ChemicalEntity"], "name": "ALBUTEROL", "xref": ["InChIKey:NDAUXUAQIAJITI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)c1ccc(O)c(CO)c1"], "synonym": ["Salbutamol", "Salbutamol", "Salbutamol", "Salbutamol", "Albuterol", "Salbutamol", "Albuterol", "Albuterol", "Duoneb", "Etinoline", "Salbutamol", "Salbutamolum", "Ventoline", "NSC-757417", "SCH 13949W", "SCH-13949W", "Aerolin", "Aerolin 400", "Aerolin auto", "Airomir", "Airsalb", "Albuterol", "Asmasal clickhaler", "Asmasal spacehaler", "Asmaven", "Asmavent", "Cobutolin", "Combivent", "Combivent udvs", "Ipramol steri-neb", "Kentamol", "Libetist", "Maxivent", "Proventil", "Proventil hfa", "Rimasal", "Salamol e-breathe", "Salapin", "Salbulin novolizer", "Salbuvent", "Salipraneb", "Steri-neb salamol", "Ventmax sr", "Ventodisks", "Ventolin", "Ventolin cr", "Ventolin e-breathe", "Albuterol", "Albuterol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200444", "category": ["biolink:ChemicalEntity"], "name": "PIRBUTEROL ACETATE", "xref": ["InChIKey:QSXMZJGGEWYVCN-UHFFFAOYSA-N", "SMILES:CC(=O)O.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1"], "synonym": ["Pirbuterol acetate", "Pirbuterol acetate", "Pirbuterol monoacetate", "Pirbuterol acetate", "Pirbuterol monoacetate", "Spirolair", "CP-24,314-14", "CP-24314-14", "Maxair", "Pirbuterol acetate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200893", "category": ["biolink:ChemicalEntity"], "name": "PROTOKYLOL HYDROCHLORIDE", "xref": ["InChIKey:LOVXREQUMZKFCM-UHFFFAOYSA-N", "SMILES:CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1.Cl"], "synonym": ["Protokylol hydrochloride", "Protokylol hcl", "NSC-113490", "Ventaire"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201061", "category": ["biolink:ChemicalEntity"], "name": "LEVALBUTEROL HYDROCHLORIDE", "xref": ["InChIKey:OWNWYCOLFIFTLK-YDALLXLXSA-N", "SMILES:CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl"], "synonym": ["Levalbuterol hydrochloride", "Albuterol (r)-form hydrochloride", "Albuterol hydrochloride, r-", "Levalbuterol hcl", "Levalbuterol hydrochloride", "Levosalbutamol hydrochloride", "NSC-759255", "Levalbuterol hydrochloride", "Xopenex", "Levalbuterol hydrochloride", "Levalbuterol hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1951071", "category": ["biolink:ChemicalEntity"], "name": "ARFORMOTEROL TARTRATE", "xref": ["InChIKey:FCSXYHUNDAXDRH-QVRIGTRMSA-N", "SMILES:COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Arformoterol tartrate", "Formoterol r,r-form l-tartrate", "Arformoterol tartrate", "Brovana", "Arformoterol tartrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200405", "category": ["biolink:ChemicalEntity"], "name": "BITOLTEROL MESYLATE", "xref": ["InChIKey:HODFCFXCOMKRCG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1"], "synonym": ["Bitolterol mesylate", "Bitolterol mesilate", "Bitolterol methanesulfonate", "Bitolterol mesilate", "Bitolterol mesylate", "Bitolterol methanesulfonate", "WIN 32,784", "WIN-32784", "Tornalate", "Bitolterol mesylate"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1082607", "category": ["biolink:ChemicalEntity"], "name": "SALMETEROL XINAFOATE", "xref": ["InChIKey:XTZNCVSCVHTPAI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O"], "synonym": ["Salmeterol xinafoate", "Salmeterol xinafoate", "Salmeterol 1-hydroxy-2-naphthoate", "Salmeterol xinafoate", "GR 33343 G", "GR-33343 G", "GR-33343X", "LIPO-202", "Salmeterol xinafoate component of advair", "Salmeterol xinafoate component of advair hfa", "Salmeterol xinafoate component of airduo respiclick", "Salmeterol xinafoate component of lipo-102", "Serevent", "Salmeterol xinafoate", "Salmeterol xinafoate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1367605", "category": ["biolink:ChemicalEntity"], "name": "RITODRINE HYDROCHLORIDE", "xref": ["InChIKey:IDLSITKDRVDKRV-UHFFFAOYSA-N", "SMILES:CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1.Cl"], "synonym": ["Ritodrine hydrochloride", "Ritodrine hydrochloride", "Ritodrine hydrochloride", "Luteonin", "Ritodrine hcl", "NSC-291565", "Ritodrine hydrochloride", "Yutopar", "Ritodrine hydrochloride", "Ritodrine hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1789842", "category": ["biolink:ChemicalEntity"], "name": "INDACATEROL MALEATE", "xref": ["InChIKey:IREJFXIHXRZFER-PCBAQXHCSA-N", "SMILES:CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2.O=C(O)/C=C\\C(=O)O"], "synonym": ["Indacaterol maleate", "Indacaterol maleate", "Indacaterol maleate", "Indacaterol maleate", "Indacaterol maleate", "Indacaterol (as maleate)", "Indacaterol maleate", "Indacterol maleate", "QAB-149-AFA", "QAB149-AFA", "Arcapta neohaler", "Hirobriz breezhaler", "Indacaterol maleate component of qva-149", "Indacaterol maleate component of qva149", "Indacaterol maleate component of ultibro", "Indacaterol maleate component of utibron", "Onbrez breezhaler", "Oslif breezhaler", "Indacaterol maleate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1315867", "category": ["biolink:ChemicalEntity"], "name": "TERBUTALINE SULFATE", "xref": ["InChIKey:KFVSLSTULZVNPG-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O"], "synonym": ["Terbutaline sulphate", "Terbutaline sulfate", "Terbutaline sulfate", "Terbutaline sulfate", "Terbutaline sulfate", "KWD 2019", "KWD-2019", "NSC-757336", "Brethaire", "Brethine", "Bricanyl", "Bricanyl sa", "Monovent", "Monovent sa", "Terbasmin", "Terbutaline sulfate", "Terbutaline sulfate", "Terbutaline sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989693", "category": ["biolink:ChemicalEntity"], "name": "LEVALBUTEROL TARTRATE", "xref": ["InChIKey:VNVNZKCCDVFGAP-NMFAMCKASA-N", "SMILES:CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Levalbuterol tartrate", "Levalbuterol tartrate", "Levosalbutamol tartrate", "Xopenex hfa", "Levalbuterol tartrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989798", "category": ["biolink:ChemicalEntity"], "name": "FORMOTEROL FUMARATE", "xref": ["InChIKey:RATSWNOMCHFQGJ-XODSYJLDSA-N", "SMILES:COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.O.O.O=C(O)/C=C/C(=O)O"], "synonym": ["Formoterol fumarate", "Formoterol fumarate", "Formoterol fumarate dihydrate", "Formoterol fumarate", "Formoterol fumarate hydrate", "Formoterol fumarate", "Formoterol fumarate dihydrate", "Atock", "Eformoterol", "Fomoterol fumarate", "Foraseq", "Formoterol fumarate", "Formoterol fumarate anhydrous", "Formoterol fumarate dihydrate", "Formoterol fumarate hydrate", "Formoterol hemifumarate", "Oxeze", "BD 40A", "BD-40A", "CGP 25827A", "CGP-25827A", "NSC-299587", "YM-08316", "Atimos modulite", "Foradil", "Foradil certihaler", "Formoterol fumarate component of bevespi aerosphere", "Formoterol fumarate component of breztri", "Formoterol fumarate component of duaklir pressair", "Formoterol fumarate component of dulera", "Formoterol fumarate component of symbicort   dihydrate", "Formoterol fumarate component of trimbow   dihydrate", "Formoterol fumarate dihydrate component of symbicort", "Oxis 12", "Oxis 6", "Performist", "Perforomist", "Formoterol fumarate", "Formoterol fumarate (superceded)", "Formoterol fumarate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1568057", "category": ["biolink:ChemicalEntity"], "name": "METAPROTERENOL SULFATE", "xref": ["InChIKey:MKFFGUZYVNDHIH-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O"], "synonym": ["Orciprenaline sulfate", "Metaproterenol sulfate", "Orciprenaline sulfate", "Metaproterenol sulfate", "Metaproterenol sulfate", "Metaproterenol sulphate", "Orciprenaline sulfate", "Orciprenaline sulphate", "TH-152", "Alupent", "Alupent obstetric", "Metaproterenol sulfate", "Prometa", "Metaproterenol sulfate", "Metaproterenol sulfate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1441059", "category": ["biolink:ChemicalEntity"], "name": "ALBUTEROL SULFATE", "xref": ["InChIKey:BNPSSFBOAGDEEL-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.O=S(=O)(O)O"], "synonym": ["Albuterol sulfate", "Salbutamol sulfate", "Albuterol sulfate", "Albuterol sulfate", "Albuterol sulphate", "Buventol", "Ecovent", "Hexotonal", "Loftan", "Salamol", "Salbumol", "Salbutamol (as sulfate)", "Salbutamol sulfate", "Salbutamol sulphate", "Salbutamoli sulfas", "Sch 13949w sulphate", "Sch-13949w sulphate", "Sulbutamol (as sulphate)", "Sultanol", "Torpex", "Venetlin", "Ventilastin", "Vospire", "NSC-289928", "R03AC02", "R03CC02", "SCH 13949W SULFATE", "SCH-13949W SULFATE", "Accuneb", "Albuterol sulfate", "Albuterol sulfate component of airsupra", "Albuterol sulfate component of combivent", "Albuterol sulfate component of duoneb", "Proair", "Proair digihaler", "Proair hfa", "Proair respiclick", "Proventil", "Proventil-hfa", "Torpex (albuterol sulfate)", "Ventolin", "Ventolin hfa", "Ventolin rotacaps", "Volmax", "Vospire er", "Albuterol sulfate", "Albuterol sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201153", "category": ["biolink:ChemicalEntity"], "name": "ISOETHARINE MESYLATE", "xref": ["InChIKey:SOYAGMVKMXZVNZ-UHFFFAOYSA-N", "SMILES:CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O"], "synonym": ["Isoetharine mesylate", "Isoetharine mesylate", "Isoetarine mesilate", "Isoetharine mesilate", "NSC-759286", "Bronchilator", "Bronkometer", "Isoetharine mesylate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200920", "category": ["biolink:ChemicalEntity"], "name": "ISOETHARINE HYDROCHLORIDE", "xref": ["InChIKey:MUFDLGGSOCHQOC-UHFFFAOYSA-N", "SMILES:CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.Cl"], "synonym": ["Isoetarine hydrochloride", "Isoetharine hydrochloride", "Asthmalitan", "Dl-isoetharine hydrochloride", "Isoetharine hcl", "Beta-2", "Bronkosol", "Isoetharine hydrochloride", "Isoetharine hydrochloride s/f", "Numotac"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1695", "category": ["biolink:ChemicalEntity"], "name": "TIAGABINE HYDROCHLORIDE", "xref": ["InChIKey:YUKARLAABCGMCN-PKLMIRHRSA-N", "SMILES:Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl"], "synonym": ["Tiagabine hydrochloride", "Tiagabine hydrochloride", "Gabatril", "Tiagabine hcl", "Tiagabine hydrochloride", "ABBOTT-70569 HYDROCHLORIDE", "ABBOTT-70569.1", "ABBOTT-70569.HCL", "ABBOTT-705691", "ABT-569", "NNC-05-0328", "NNC-050328", "NO-05-0328", "NO-050328", "Gabitril", "Tiagabine hydrochloride", "Tiagabine hydrochloride", "Tiagabine hydrochloride"], "chembl_availability_type": "prescription only"}
{"name": "Sodium- and chloride-dependent GABA transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL1903"], "id": "UniProtKB:P30531", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 11B1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL1908"], "id": "UniProtKB:P15538", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201587", "category": ["biolink:ChemicalEntity"], "name": "ALEMTUZUMAB", "synonym": ["Alemtuzumab", "Alemtuzumab", "Alemtuzumab", "Alemtuzumab", "Alemtuzumab", "Alemtuzumab", "Alemtuzumab (genetical recombination)", "Alemtuzumab", "Alemtuzumab", "Allo 647", "CAMPATH-1H", "GZ-402673", "GZ402673", "LDP-03", "Campath mabcampath", "Campath mabcampath, lemtrada", "Lemtrada", "Mabcampath", "Alemtuzumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "CAMPATH-1 antigen", "xref": ["CHEMBL.TARGET:CHEMBL1912"], "id": "UniProtKB:P31358", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1471", "category": ["biolink:ChemicalEntity"], "name": "APREPITANT", "xref": ["InChIKey:ATALOFNDEOCMKK-OITMNORJSA-N", "SMILES:C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"], "synonym": ["Aprepitant", "Aprepitant", "Aprepitant", "Aprepitant", "Aprepitant", "Aprepitant", "Aprepitant", "Aprepitant", "Ono-7436", "L-754,030", "MK-0869", "MK-869", "NSC-748825", "Aponvie", "Aprepitant", "Cinvanti", "Emend", "Aprepitant", "Aprepitant"], "chembl_availability_type": "prescription only"}
{"name": "Substance-P receptor", "xref": ["CHEMBL.TARGET:CHEMBL249"], "id": "UniProtKB:P25103", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201782", "category": ["biolink:ChemicalEntity"], "name": "FOSAPREPITANT DIMEGLUMINE", "xref": ["InChIKey:VRQHBYGYXDWZDL-OOZCZQCLSA-N", "SMILES:CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"], "synonym": ["Fosaprepitant dimeglumine", "Fosaprepitant dimeglumine", "Fosaprepitant meglumine", "Fosaprepitant dimeglumine", "Focinvez", "Fosaprepitant (as dimeglumine)", "Fosaprepitant dimeglumine", "Fosaprepitant meglumine", "MK-0517", "Emend", "Focinvez", "Fosaprepitant dimeglumine", "Ivemend", "Fosaprepitant dimeglumine"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL231779", "category": ["biolink:ChemicalEntity"], "name": "APIXABAN", "xref": ["InChIKey:QNZCBYKSOIHPEH-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1"], "synonym": ["Apixaban", "Apixaban", "Apixaban", "Apixaban", "Apixaban", "Apixaban", "Apixaban", "Apixaban", "BMS-562247", "BMS-562247-01", "Apixaban accord", "Eliquis", "Apixaban"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Coagulation factor X", "xref": ["CHEMBL.TARGET:CHEMBL244"], "id": "UniProtKB:P00742", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198362", "category": ["biolink:ChemicalEntity"], "name": "RIVAROXABAN", "xref": ["InChIKey:KGFYHTZWPPHNLQ-AWEZNQCLSA-N", "SMILES:O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1"], "synonym": ["Rivaroxaban", "Rivaroxaban", "Rivaroxaban", "Rivaroxaban", "Rivaroxaban", "Rivaroxaban", "Rivaroxaban", "Rivaroxaban", "BAY 59-7939", "BAY-59-7939", "JNJ-39039039", "JNJ39039039", "Rivaroxaban accord", "Rivaroxaban viatris (previously rivaroxaban mylan)", "Xarelto", "Rivaroxaban", "Rivaroxaban"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Type I iodothyronine deiodinase", "xref": ["CHEMBL.TARGET:CHEMBL2019"], "id": "UniProtKB:P49895", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1138", "category": ["biolink:ChemicalEntity"], "name": "EZETIMIBE", "xref": ["InChIKey:OLNTVTPDXPETLC-XPWALMASSA-N", "SMILES:O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1"], "synonym": ["Ezetimibe", "Ezetimibe", "Ezetimibe", "Ezetimibe", "Ezetimibe", "Ezetimiba", "Ezetimibe", "Ezetimibe", "Ezetimibe", "MK0653", "NSC-758923", "SCH-58235", "SCH58235", "Ezetimibe", "Ezetimibe component of k-924", "Ezetimibe component of liptruzet", "Ezetimibe component of nexlizet", "Ezetimibe component of roszet", "Ezetimibe component of vytorin", "Ezetrol", "Zetia", "Ezetimibe", "Ezetimibe"], "chembl_availability_type": "prescription only"}
{"name": "NPC1-like intracellular cholesterol transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL2027"], "id": "UniProtKB:Q9UHC9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alanine racemase", "xref": ["CHEMBL.TARGET:CHEMBL2031"], "id": "UniProtKB:P9WQA9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2096642", "category": ["biolink:ChemicalEntity"], "name": "INAMRINONE LACTATE", "xref": ["InChIKey:DOSIONJFGDSKCQ-UHFFFAOYSA-N", "SMILES:CC(O)C(=O)O.Nc1cc(-c2ccncc2)c[nH]c1=O"], "synonym": ["Inamrinone lactate", "Amrinone lactate", "Inocor"], "chembl_availability_type": "prescription only"}
{"name": "cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A", "xref": ["CHEMBL.TARGET:CHEMBL241"], "id": "UniProtKB:Q14432", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL799", "category": ["biolink:ChemicalEntity"], "name": "CILOSTAZOL", "xref": ["InChIKey:RRGUKTPIGVIEKM-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1"], "synonym": ["Cilostazol", "Cilostazol", "Cilostazol", "Cilostazol", "Cilostazol", "Cilostazol", "Cilostazol", "Cilostazol", "NSC-758936", "OPC-13013", "OPC-21", "Cilostazol", "Pletal", "Cilostazol", "Cilostazol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200977", "category": ["biolink:ChemicalEntity"], "name": "MILRINONE LACTATE", "xref": ["InChIKey:VWUPWEAFIOQCGF-UHFFFAOYSA-N", "SMILES:CC(O)C(=O)O.Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1"], "synonym": ["Milrinone lactate", "Milrinone lactate", "Milrinone lactate", "Primacor"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL89598", "category": ["biolink:ChemicalEntity"], "name": "VIGABATRIN", "xref": ["InChIKey:PJDFLNIOAUIZSL-UHFFFAOYSA-N", "SMILES:C=CC(N)CCC(=O)O"], "synonym": ["Vigabatrin", "Vigabatrin", "Vigabatrin", "Vigabatrin", "Vigabatrin", "Vigabatrin", "Vigabatrine", "Vigabatrina", "Vigabatrin", "Vigabatrin", "5-hexenoic acid, 4-amino-", "Gamma vinyl gaba", "Gamma-vinyl gaba", "Vigabatrin", "Vigafyde", "Vinyl gamma-aminobutyric acid", "CPP-109", "MDL 71,754", "MDL-71754", "RMI-71754", "Kigabeq", "Sabril", "Vigafyde", "Vigabatrin", "Vigabatrin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "4-aminobutyrate aminotransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2044"], "id": "UniProtKB:P80404", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201573", "category": ["biolink:ChemicalEntity"], "name": "OPRELVEKIN", "synonym": ["Oprelvekin", "Oprelvekin", "Oprelvekin", "Oprelvekine", "Oprelvekina", "Oprelvekin", "Oprelvekin", "Interleukin-11 (2-178)", "Oprelvekin", "Neumega", "Oprelvekin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Interleukin-11 receptor subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL2050"], "id": "UniProtKB:Q14626", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374478", "category": ["biolink:ChemicalEntity"], "name": "RIFAMPIN", "xref": ["InChIKey:JQXXHWHPUNPDRT-WLSIYKJHSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"], "synonym": ["Rifampicin", "Rifampicin", "Rifampicin", "Rifampin", "Rifampicin", "Rifampicine", "Rifampicina", "Rifampicin", "Rifampin", "Rifamycin amp", "Abrifam", "Rifadine", "Rifaldazine", "Rifaldin", "Rifampicin", "Rifampicinum", "Rifampin", "Rifapiam", "Rifaprodin", "Rifoldin", "Rimactan", "BA 41166/E", "BA 411661E", "BA-41166/E", "BA-41166E", "L-5103", "L-5103 LEPETIT", "L-5103-LEPETIT", "NIH-10782", "NSC-113926", "Eremfat", "Rifa", "Rifadin", "Rifampin", "Rifampin component of rifamate", "Rifampin component of rifater", "Rimactane", "Rifampin", "Rifampin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364672", "category": ["biolink:MacromolecularComplex"], "name": "Bacterial DNA-directed RNA polymerase"}
{"id": "CHEMBL.COMPOUND:CHEMBL444633", "category": ["biolink:ChemicalEntity"], "name": "RIFABUTIN", "xref": ["InChIKey:ATEBXHFBFRCZMA-VXTBVIBXSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O"], "synonym": ["Rifabutin", "Rifabutin", "Rifabutin", "Rifabutin", "Rifabutin", "Rifabutine", "Rifabutina", "Rifabutin", "Rifabutin", "Ansamycin", "Rifabutin", "LM 427", "LM-427", "MYCOBUTIN", "Mycobutin", "Rifabutin", "Rifabutin component of talicia", "Rifabutin", "Rifabutin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1660", "category": ["biolink:ChemicalEntity"], "name": "RIFAPENTINE", "xref": ["InChIKey:WDZCUPBHRAEYDL-GZAUEHORSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"], "synonym": ["Rifapentine", "Rifapentine", "Rifapentine", "Rifapentine", "Rifapentina", "Rifapentine", "Prifitin", "Rifapentin", "Rifapentine", "ANTIBIOTIC DL-473IT", "DL-473", "KTC-1", "MDL 473", "MDL-473", "R-77-3", "R-773", "Priftin", "Rifapentine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1617", "category": ["biolink:ChemicalEntity"], "name": "RIFAXIMIN", "xref": ["InChIKey:NZCRJKRKKOLAOJ-XRCRFVBUSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"], "synonym": ["Rifaximin", "Rifaximin", "Rifaximin", "Rifaximin", "Rifaximine", "Rifaximina", "Rifaximin", "Rifaximin", "L-105", "Rifamycin l 105", "Rifaxidin", "Rifaximin", "Xifaxsan", "NSC-758957", "Normix", "Rifacol", "Targaxan", "Xifaxan", "Xifaxanta", "Rifaximin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL264241", "category": ["biolink:ChemicalEntity"], "name": "ANIDULAFUNGIN", "xref": ["InChIKey:JHVAMHSQVVQIOT-MFAJLEFUSA-N", "SMILES:CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1"], "synonym": ["Anidulafungin", "Anidulafungin", "Anidulafungin", "Anidulafungin", "Anidulafungin", "Anidulafungine", "Anidulafungina", "Anidulafungin", "Anidulafungin", "D-70013", "V-echinocandin", "D70013", "LY-303366", "LY303366", "VER-002", "VER002", "Ecalta", "Eraxis", "Anidulafungin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "1,3-beta-glucan synthase", "xref": ["CHEMBL.TARGET:CHEMBL2364673"], "id": "UniProtKB:O13428", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314378", "category": ["biolink:ChemicalEntity"], "name": "CASPOFUNGIN ACETATE", "xref": ["InChIKey:OGUJBRYAAJYXQP-IJFZAWIJSA-N", "SMILES:CC(=O)O.CC(=O)O.CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O"], "synonym": ["Caspofungin (as acetate)", "Caspofungin acetate", "Caspofungin acetate", "Caspofungin acetate", "Caspofungin diacetate", "MK-0991", "Cancidas", "Cancidas (previously caspofungin msd)", "Caspofungin accord", "Caspofungin acetate", "Caspofungin acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237070", "category": ["biolink:ChemicalEntity"], "name": "MICAFUNGIN SODIUM", "xref": ["InChIKey:KOOAFHGJVIVFMZ-WZPXRXMFSA-M", "SMILES:CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)[O-])c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1.[Na+]"], "synonym": ["Micafungin sodium", "Micafungin sodium", "Micafungin sodium", "Micafungin sodium salt", "Funguard", "Micafungin na", "Micafungin sodium", "FK-463", "FK463", "Fungard", "Mycamine", "Micafungin sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "1,3-beta-glucan synthase", "xref": ["CHEMBL.TARGET:CHEMBL2364674"], "id": "UniProtKB:Q4WLT4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:330879"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2095208", "category": ["biolink:ChemicalEntity"], "name": "COBICISTAT", "xref": ["InChIKey:ZCIGNRJZKPOIKD-CQXVEOKZSA-N", "SMILES:CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1"], "synonym": ["Cobicistat", "Cobicistat", "Cobicistat", "Cobicistat", "Cobicistat", "Cobicistat", "Cobicistat", "Cobicistat", "Cobicistat on silicon dioxide", "Cobicistat, (r,r,s)-", "GS-9350", "Cobicistat component of evotaz", "Cobicistat component of genvoya", "Cobicistat component of prezcobix", "Cobicistat component of rezolsta", "Cobicistat component of stribild", "Cobicistat component of symtuza", "Tybost", "Cobicistat"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364675", "category": ["biolink:ProteinFamily"], "name": "Cytochrome P450 3A"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989678", "category": ["biolink:ChemicalEntity"], "name": "PIPERAZINE CITRATE", "xref": ["InChIKey:LWMBPKJYEQGDLN-UHFFFAOYSA-N", "SMILES:C1CNCCN1.C1CNCCN1.C1CNCCN1.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Piperazine citrate", "Antepar", "Bryrel", "Multifuge", "Piperazine citrate", "Vermidol"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364676", "category": ["biolink:MacromolecularComplex"], "name": "Nematode GABA-A receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL937", "category": ["biolink:ChemicalEntity"], "name": "DIETHYLCARBAMAZINE CITRATE", "xref": ["InChIKey:PGNKBEARDDELNB-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Diethylcarbamazine citrate", "Diethylcarbamazine citrate", "Ethylaminoazine citrate", "Loxuran", "NSC-80513", "Banocide", "Decacide", "Difil", "Dirocide", "Hetrazan"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201826", "category": ["biolink:ChemicalEntity"], "name": "IDURSULFASE", "synonym": ["Idursulfase", "Idursulfase", "Idursulfase", "Idursulfase", "Idursulfase", "Idursulfasa", "Iduronate-2-sulfatase", "Elaprase", "Gc-1111", "Idursulfase", "Sulfatase, l-idurono-", "DRX006A", "EC 3.1.6.13", "EC-3.1.6.13", "GC1111", "HGT-2310", "HGT2310", "Elaprase", "Idursulfase"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364677", "category": ["biolink:MolecularEntity"], "name": "Heparan sulfate"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201595", "category": ["biolink:ChemicalEntity"], "name": "LARONIDASE", "synonym": ["Laronidase", "Laronidase", "Laronidase", "Laronidase", "Laronidase", "Laronidasa", "Laronidase", "Laronidase", "A-l-iduronidase", "Alronidase", "Ec 3.2.1.76", "Laronidase", "Aldurazyme", "Laronidase"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL496", "category": ["biolink:ChemicalEntity"], "name": "HEXACHLOROPHENE", "xref": ["InChIKey:ACGUYXCXAPNIKK-UHFFFAOYSA-N", "SMILES:Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl"], "synonym": ["Hexachlorophene", "Hexachlorophene", "Hexachlorophene", "Hexachlorophene", "Hexaclorofeno", "NSC-49115", "\"germa-medica \"\"mg\"\"\"", "Dial", "E-z scrub", "Gamophen", "Germa-medica", "Germa-medica \"mg\"", "Hexa-germ", "Hexascrub", "Phiso-scrub", "Phisohex", "Pre-op", "Pre-op ii", "Scrubteam surgical spongebrush", "Septi-soft", "Septisol", "Soy-dome", "Turgex"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI", "xref": ["CHEMBL.TARGET:CHEMBL2364678"], "id": "UniProtKB:P0AEK4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL849", "category": ["biolink:ChemicalEntity"], "name": "TRICLOSAN", "xref": ["InChIKey:XEFQLINVKFYRCS-UHFFFAOYSA-N", "SMILES:Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl"], "synonym": ["Triclosan", "Triclosan", "Triclosan", "Triclosan", "Triclosan", "Triclosan", "Cloxifenol", "Triclosan", "CH 3565", "CH-3565", "DNDI1246774", "NSC-759151", "Aquasept", "Gamophen", "Innoxa", "Manusept", "Skinsan", "Stri-dex cleansing bar", "Tegusept", "Triclosan component of colgate total", "Triclosan", "Triclosan"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200397", "category": ["biolink:ChemicalEntity"], "name": "BUTENAFINE HYDROCHLORIDE", "xref": ["InChIKey:LJBSAUIFGPSHCN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl"], "synonym": ["Butenafine hydrochloride", "Butenafine hydrochloride", "Butenafine hydrochloride", "Butenafine hcl", "Butenafine hydrochloride", "KP-363", "Lotrimin ultra", "Mentax", "Mentax-tc", "Volley", "Butenafine hydrochloride"], "chembl_availability_type": "over the counter"}
{"name": "Squalene monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL2364679"], "id": "UniProtKB:Q4JEY0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5551"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200832", "category": ["biolink:ChemicalEntity"], "name": "TERBINAFINE HYDROCHLORIDE", "xref": ["InChIKey:BWMISRWJRUSYEX-SZKNIZGXSA-N", "SMILES:CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl"], "synonym": ["Terbinafine hydrochloride", "Terbinafine hydrochloride", "Terbinafine hydrochloride", "Bramazil", "Bramizil", "Muzonal", "Terbina", "Terbinafine (as hydrochloride)", "Terbinafine hcl", "Terbinafine hydrochloride", "Terbine", "NSC-759113", "Athlete's foot", "Lamisil", "Lamisil at", "Lamisil once", "Terbinafine hydrochloride"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL822", "category": ["biolink:ChemicalEntity"], "name": "TERBINAFINE", "xref": ["InChIKey:DOMXUEMWDBAQBQ-WEVVVXLNSA-N", "SMILES:CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12"], "synonym": ["Terbinafine", "Terbinafine", "Terbinafine", "Terbinafine", "Terbinafina", "Terbinafine", "Terbinafine", "SF 86-327", "SF-86-327", "TDT-067", "Lamasil", "Lamisil", "Lamisil at", "Terbinafine component of osurnia", "Terbinafine"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200493", "category": ["biolink:ChemicalEntity"], "name": "NAFTIFINE HYDROCHLORIDE", "xref": ["InChIKey:OLUNPKFOFGZHRT-YGCVIUNWSA-N", "SMILES:CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12.Cl"], "synonym": ["Naftifine hydrochloride", "Naftifine hydrochloride", "Naftifine hcl", "Naftifine hydrochloride", "AW 105-843", "NAFT-900", "NAFT900", "NSC-760068", "Naftifine hydrochloride", "Naftin", "Naftifine hydrochloride", "Naftifine hydrochloride"], "chembl_availability_type": "prescription only"}
{"name": "Thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL2364680"], "id": "UniProtKB:P12461", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105662", "category": ["biolink:ChemicalEntity"], "name": "LOMITAPIDE MESYLATE", "xref": ["InChIKey:QKVKOFVWUHNEBX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1"], "synonym": ["Lomitapide mesylate", "Lomitapide mesylate", "Lomitapide mesilate", "Aegr-733 mesilate", "Lomitapide mesilate", "Lomitapide mesylate", "AEGR-733", "AEGR-733 MESYLATE", "BMS-201038", "BMS-201038-04", "Juxtapid", "Lojuxta", "Lomitapide mesylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364681", "category": ["biolink:MacromolecularComplex"], "name": "Microsomal triglyceride transfer protein"}
{"id": "CHEMBL.COMPOUND:CHEMBL734", "category": ["biolink:ChemicalEntity"], "name": "ACETOHYDROXAMIC ACID", "xref": ["InChIKey:RRUDCFGSUDOHDG-UHFFFAOYSA-N", "SMILES:CC(=O)NO"], "synonym": ["Acetohydroxamic acid", "Acetohydroxamic acid", "Acetohydroxamic acid", "Acetohydroxamic acid", "Acide acetohydroxamique", "Acido acetohidroxamico", "Acetohydroxamic acid", "Acetohydroxamic acid", "NSC-176136", "Lithostat", "Acetohydroxamic acid", "Acetohydroxamic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364683", "category": ["biolink:MacromolecularComplex"], "name": "Bacterial urease"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200453", "category": ["biolink:ChemicalEntity"], "name": "DOCOSANOL", "xref": ["InChIKey:NOPFSRXAKWQILS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCO"], "synonym": ["Docosanol", "Docosanol", "N-docosanol", "Behenic alcohol", "Behenyl alcohol", "Docosanol", "Lidakol", "N-docosanol", "Stenol 1822", "NSC-8407", "Abreva", "Docosanol"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.TARGET:CHEMBL2364696", "category": ["biolink:ProteinFamily"], "name": "Envelope glycoprotein"}
{"id": "CHEMBL.COMPOUND:CHEMBL1742990", "category": ["biolink:ChemicalEntity"], "name": "BELATACEPT", "synonym": ["Belatacept", "Belatacept", "Belatacept", "Belatacept", "Belatacept", "Belatacept", "Belatacept", "BMS-224818", "LEA29Y", "Nujolix", "Nulojix", "Belatacept"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "T-lymphocyte activation antigen CD86", "xref": ["CHEMBL.TARGET:CHEMBL2364156"], "id": "UniProtKB:P42081", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201823", "category": ["biolink:ChemicalEntity"], "name": "ABATACEPT", "synonym": ["Abatacept", "Abatacept", "Abatacept", "Abatacept", "Abatacept", "Abatacept", "Abatacept (genetical recombination)", "Abatacept", "Abatacept", "Abatacept recombinant", "BMS-188667", "CTLA4-IGG4M", "RG-1046", "RG-2077", "Orencia", "Orencia clickject", "Abatacept"], "chembl_availability_type": "prescription only"}
{"name": "T-lymphocyte activation antigen CD80", "xref": ["CHEMBL.TARGET:CHEMBL2364157"], "id": "UniProtKB:P33681", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1789843", "category": ["biolink:ChemicalEntity"], "name": "BELIMUMAB", "synonym": ["Belimumab", "Belimumab", "Belimumab", "Belimumab", "Belimumab", "Belimumab (genetical recombination)", "Belimumab", "Belimumab", "BEL-114333", "BEL114333", "GSK-1550188", "GSK1550188", "HGS-1006", "HGS1006", "Benlysta", "Lymphostat-b", "Lymphostat-b benlysta", "Belimumab"], "chembl_availability_type": "prescription only"}
{"name": "Tumor necrosis factor ligand superfamily member 13B", "xref": ["CHEMBL.TARGET:CHEMBL2364158"], "id": "UniProtKB:Q9Y275", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108035", "category": ["biolink:ChemicalEntity"], "name": "INCOBOTULINUMTOXINA", "synonym": ["Incobotulinumtoxina", "Incobotulinumtoxina", "RTI-150", "RTI150", "Incobotulinumtoxina"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Synaptosomal-associated protein 25", "xref": ["CHEMBL.TARGET:CHEMBL2364159"], "id": "UniProtKB:P60880", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108570", "category": ["biolink:ChemicalEntity"], "name": "ABOBOTULINUMTOXINA", "synonym": ["Abobotulinumtoxina", "Abobotulinumtoxina", "RTI-150", "RTI150", "Abobotulinumtoxina"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201574", "category": ["biolink:ChemicalEntity"], "name": "ONABOTULINUMTOXINA", "synonym": ["Botulinum toxin", "Onabotulinumtoxina", "Bontoxilysin", "Botulin", "Botulinum neurotoxin", "Onabotulinumtoxina", "RTI-150", "RTI150", "Botox/botox cosmetic", "Onabotulinumtoxina"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201569", "category": ["biolink:ChemicalEntity"], "name": "RIMABOTULINUMTOXINB", "synonym": ["Botulinum toxin type b", "Botulinum toxin type b", "Rimabotulinumtoxinb", "Botulinum toxin type b", "Botulinum toxin type b", "Botulin b", "Botulinum b toxin", "Botulinum neurotoxin type b", "Botulinum toxin type b", "Rimabotulinumtoxinb", "AN-0772", "AN0772", "BTX-8\t", "BTX-B", "Myobloc", "Neurobloc", "Rimabotulinumtoxinb"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Vesicle-associated membrane protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2364160"], "id": "UniProtKB:P63027", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tumor necrosis factor receptor superfamily member 8", "xref": ["CHEMBL.TARGET:CHEMBL2364161"], "id": "UniProtKB:P28908", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1237023", "category": ["biolink:ChemicalEntity"], "name": "DENOSUMAB", "synonym": ["Denosumab", "Denosumab", "Denosumab", "Denosumab", "Denosumab", "Denosumab", "Denosumab", "Ct-p41", "Denosumab", "Denosumab biosimilar (ct-p41)", "Denosumab biosimilar (hlx-14)", "Denosumab biosimilar (ql-1206)", "Denosumab biosimilar tk-006", "Denosumab-bbdz", "Hlx14", "Jubbonti", "Ql1206", "Wyost", "AMG 162", "AMG-162", "AMG162", "CTP-41", "CTP41", "HLX-14", "QL-1206", "QL1206", "TK-006", "TK006", "Jubbonti", "Prolia", "Prolia, ranmark xgeva", "Prolia, xgeva", "Wyost", "Xgeva", "Denosumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Tumor necrosis factor ligand superfamily member 11", "xref": ["CHEMBL.TARGET:CHEMBL2364162"], "id": "UniProtKB:O14788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201828", "category": ["biolink:ChemicalEntity"], "name": "ECULIZUMAB", "synonym": ["Eculizumab", "Eculizumab", "Eculizumab", "Eculizumab", "Eculizumab", "Eculizumab", "Eculizumab", "Alexion", "Bekemv", "Bkemv", "Eculizumab", "Eculizumab biosimilar (abp-959)", "Eculizumab biosimilar (amgen)", "Eculizumab-aagh", "Eculizumab-aeeb", "Elizaria", "Epysqli", "5G1.1", "ABP-959", "H5G1-1", "H5G1.1", "H5G1.1VHC+H5G1.1VLC", "H5G11", "Bekemv", "Epysqli", "Soliris", "Eculizumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Complement C5", "xref": ["CHEMBL.TARGET:CHEMBL2364163"], "id": "UniProtKB:P01031", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1789844", "category": ["biolink:ChemicalEntity"], "name": "IPILIMUMAB", "synonym": ["Ipilimumab", "Ipilimumab", "Ipilimumab", "Ipilimumab", "Ipilimumab", "Ipilimumab", "Ipilimumab", "BMS-734016", "BMS734016", "MDX-010", "MDX-010 MDX-CTLA4", "MDX-101", "MDX-CTLA-4", "MDX010", "Yervoy", "Ipilimumab"], "chembl_availability_type": "prescription only"}
{"name": "Cytotoxic T-lymphocyte protein 4", "xref": ["CHEMBL.TARGET:CHEMBL2364164"], "id": "UniProtKB:P16410", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201586", "category": ["biolink:ChemicalEntity"], "name": "PALIVIZUMAB", "synonym": ["Palivizumab", "Palivizumab", "Palivizumab", "Palivizumab", "Palivizumab", "Palivizumab", "Palivizumab", "Palivizumab", "Palivizumab", "MEDI-493", "Synagis", "Synagis abbosynagis", "Palivizumab"], "chembl_availability_type": "prescription only"}
{"name": "Fusion glycoprotein F0", "xref": ["CHEMBL.TARGET:CHEMBL2364165"], "id": "UniProtKB:Q89535", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11250"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201041", "category": ["biolink:ChemicalEntity"], "name": "AZLOCILLIN SODIUM", "xref": ["InChIKey:UVOCNBWUHNCKJM-XFAPPKAWSA-M", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]"], "synonym": ["Azlocillin sodium", "Azlocillin sodium", "Azlocillin sodium salt", "Azlocillin sodium salt", "BAY-E 6905", "BAY-E-6905", "Azlin", "Securopen"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2363020", "category": ["biolink:ProteinFamily"], "name": "Penicillin-binding protein"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200388", "category": ["biolink:ChemicalEntity"], "name": "CLOXACILLIN SODIUM", "xref": ["InChIKey:KCUWTKOTPIUBRI-VICXVTCVSA-M", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+]"], "synonym": ["Cloxacillin sodium", "Cloxacillin sodium", "Cloxacillin sodium hydrate", "Cloxacillin sodium salt monohydrate", "Cloxacillin (as sodium)", "Cloxacillin sodium", "Cloxacillin sodium hydrate", "Cloxypen", "Ekvacillin", "Latocillin", "Methocillin-s", "Sodium cloxacillin monohydrate", "BRL-1621", "P-25", "Cloxacillin sodium", "Cloxapen", "Dariclox", "Tegopen", "Cloxacillin sodium", "Cloxacillin sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2363021", "category": ["biolink:ProteinFamily"], "name": "Penicillin-binding protein"}
{"id": "CHEMBL.COMPOUND:CHEMBL3181832", "category": ["biolink:ChemicalEntity"], "name": "METHICILLIN SODIUM", "xref": ["InChIKey:NRZPASQBOYNGHR-HWROMZCQSA-M", "SMILES:COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+]"], "synonym": ["Methicillin sodium", "Methicillin sodium", "Meticillin sodium", "Methicillin sodium", "Methicillin sodium", "Methicillin sodium anhydrous", "Meticillin sodium", "Meticillin sodium monohydrate", "Sodium methicillin", "BRL-1241", "NSC-757091", "SQ 16,123", "SQ-16123", "X-1497", "Celbenin", "Staphcillin", "Methicillin sodium", "Methicillin sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364187", "category": ["biolink:MacromolecularComplex"], "name": "Laminin"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108709", "category": ["biolink:ChemicalEntity"], "name": "COLLAGENASE CLOSTRIDIUM HISTOLYTICUM", "synonym": ["Collagenase", "Collagenase clostridium histolyticum", "Collagenase clostridium histolyticum", "Collagenase", "Collagenase clostridium histolyticum", "Collagenase (clostridium histolyticum)", "Collagenase", "Clostridial collagenase", "Clostridium histolyticum enzymes", "Collagenase", "Collagenase clostridium histolyticum", "Collagenase clostridium histolyticum aaes", "Cordase", "Iruxol", "Plaquase", "AA-4500", "AA4500", "MZ-004", "Qwo", "Santyl", "Xiaflex", "Xiapex", "Collagenase clostridium histolyticum"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364188", "category": ["biolink:MacromolecularComplex"], "name": "Collagen"}
{"id": "CHEMBL.COMPOUND:CHEMBL451887", "category": ["biolink:ChemicalEntity"], "name": "CARFILZOMIB", "xref": ["InChIKey:BLMPQMFVWMYDKT-NZTKNTHTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1"], "synonym": ["Carfilzomib", "Carfilzomib", "Carfilzomib", "Carfilzomib", "Carfilzomib", "Carfilzomib", "Carfilzomib", "NSC-758252", "PR-171", "Kyprolis", "Carfilzomib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364701", "category": ["biolink:MacromolecularComplex"], "name": "26S proteasome"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201131", "category": ["biolink:ChemicalEntity"], "name": "PIPERONYL BUTOXIDE", "xref": ["InChIKey:FIPWRIJSWJWJAI-UHFFFAOYSA-N", "SMILES:CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2"], "synonym": ["Piperonyl butoxide", "Piperonyl butoxide technical", "NSC-8401", "Piperonyl butoxide component of rid mousse"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364702", "category": ["biolink:ProteinFamily"], "name": "Cytochrome P450"}
{"id": "CHEMBL.COMPOUND:CHEMBL562", "category": ["biolink:ChemicalEntity"], "name": "GRISEOFULVIN", "xref": ["InChIKey:DDUHZTYCFQRHIY-RBHXEPJQSA-N", "SMILES:COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O"], "synonym": ["Griseofulvin", "Griseofulvin", "Griseofulvin, microcrystalline", "Griseofulvin, microsize", "Griseofulvin, ultramicrocrystalline", "Griseofulvin, ultramicrosize", "Griseofulvin", "Griseofulvine", "Griseofulvina", "Griseofulvin", "Grisactin v", "Griseofulvin", "Griseofulvin microsize", "Griseofulvin,microsize", "Griseofulvinum", "NSC-34533", "NSC-755822", "Fulcin", "Fulcin 125", "Fulcin 500", "Fulsovin", "Fulvicin p/g", "Fulvicin p/g 165", "Fulvicin p/g 330", "Fulvicin-u/f", "Grifulvin v", "Gris-peg", "Grisactin", "Grisactin ultra", "Griseofulvin", "Griseofulvin, ultramicrosize", "Griseofulvin,ultramicrosize", "Grisol af", "Grivate", "Ultragris-165", "Ultragris-330", "Griseofulvin permeability diameter"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364703", "category": ["biolink:MacromolecularComplex"], "name": "Tubulin"}
{"id": "CHEMBL.COMPOUND:CHEMBL685", "category": ["biolink:ChemicalEntity"], "name": "MEBENDAZOLE", "xref": ["InChIKey:OPXLLQIJSORQAM-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1"], "synonym": ["Mebendazole", "Mebendazole", "Mebendazole", "Mebendazole", "Mebendazole", "Mebendazol", "Mebendazole", "Mebendazole", "Mebendazole", "Mebendazolum", "Ovitelmin", "Pantelmin", "Vermicidin", "Zhihuanqing", "NSC-184849", "R 17,635", "R-17635", "Emverm", "Mebenvet", "Telmintic", "Vermox", "Mebendazole", "Mebendazole", "Mebendazole polymorph c"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364704", "category": ["biolink:MacromolecularComplex"], "name": "Tubulin"}
{"id": "CHEMBL.COMPOUND:CHEMBL625", "category": ["biolink:ChemicalEntity"], "name": "THIABENDAZOLE", "xref": ["InChIKey:WJCNZQLZVWNLKY-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(-c3cscn3)nc2c1"], "synonym": ["Tiabendazole", "Tiabendazole", "Tiabendazole", "E233", "Thiabendazole", "Tiabendazole", "Tiabendazol", "Tiabendazol", "Tiabendazole", "Lombristop", "Minzolum", "Nemapan", "Omnizole", "Pitrizet", "Thiabendazole", "Thiabenzole", "MK-360", "NSC-525040", "NSC-90507", "Mintezol", "Thiabendazole", "Thiabendazole"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1483", "category": ["biolink:ChemicalEntity"], "name": "ALBENDAZOLE", "xref": ["InChIKey:HXHWSAZORRCQMX-UHFFFAOYSA-N", "SMILES:CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1"], "synonym": ["Albendazole", "Albendazole", "Albendazole", "Albendazole", "Albendazole", "Albendazol", "Albendazole", "Albendazole", "Albendazole", "Albendazolum", "Andazol", "NSC-220008", "SK&F 62979", "SK&F-62979", "Albenza", "Eskazole", "Valbazen", "Zentel", "Albendazole", "Albendazole"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364705", "category": ["biolink:MacromolecularComplex"], "name": "Tubulin"}
{"id": "CHEMBL.COMPOUND:CHEMBL1282", "category": ["biolink:ChemicalEntity"], "name": "IMIQUIMOD", "xref": ["InChIKey:DOUYETYNHWVLEO-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cnc2c(N)nc3ccccc3c21"], "synonym": ["Imiquimod", "Imiquimod", "Imiquimod", "Imiquimod", "Imiquimod", "Imiquimod", "Imiquimod", "Imiquimod", "Imiquimod", "Tmx-101", "NSC-369100", "NSC-759651", "R-837", "S-26308", "S26308", "Aldara", "Imiquimod", "Zartra", "Zyclara", "Imiquimod", "Imiquimod"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Toll-like receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL5936"], "id": "UniProtKB:Q9NYK1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104", "category": ["biolink:ChemicalEntity"], "name": "CLOTRIMAZOLE", "xref": ["InChIKey:VNFPBHJOKIVQEB-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1"], "synonym": ["Clotrimazole", "Clotrimazole", "Clotrimazole", "Clotrimazole", "Clotrimazole", "Clotrimazol", "Clotrimazole", "Clotrimazole", "Clotrimazole", "Lotrimin", "Svt-15652", "Trivagizole", "BAY 5097", "BAY-5097", "GNF-PF-3499", "NSC-257473", "SVT-15652", "Abtrim", "Actavall", "Candiden", "Canesten", "Canesten af", "Canesten crm combi", "Canesten internal", "Canesten vc", "Clotrimazole", "Clotrimazole component of lotrisone", "Fungederm", "Gyne-lotrimin", "Gyne-lotrimin 3", "Gyne-lotrimin 3 combination pack", "Gyne-lotrimin combination pack", "Gynix", "Masnoderm", "Mycelex", "Mycelex-7", "Mycelex-7 combination pack", "Mycelex-g", "Mycil gold", "Privacom", "Trimysten", "Trivagizole 3", "Clotrimazole", "Clotrimazole"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"name": "Lanosterol 14-alpha demethylase", "xref": ["CHEMBL.TARGET:CHEMBL1780"], "id": "UniProtKB:P10613", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201049", "category": ["biolink:ChemicalEntity"], "name": "ECONAZOLE NITRATE", "xref": ["InChIKey:DDXORDQKGIZAME-UHFFFAOYSA-N", "SMILES:Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O"], "synonym": ["Econazole nitrate", "Econazole nitrate", "Econazole nitrate", "Econazole nitrate", "Econazole nitrate", "Econazole nitrate", "NSC-243115", "R 14,827", "R-14827", "R14827", "SQ 13050", "SQ-13050", "SQ13050", "Econazole nitrate", "Ecostatin", "Ecostatin twin pack", "Ecostatin-1", "Ecoza", "Gyno-pevaryl", "Gyno-pevaryl 1 cp pack", "Gyno-pevaryl 150", "Gyno-pevaryl once", "Pevaryl", "Spectazole", "Econazole nitrate", "Econazole nitrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL638", "category": ["biolink:ChemicalEntity"], "name": "VORICONAZOLE", "xref": ["InChIKey:BCEHBSKCWLPMDN-MGPLVRAMSA-N", "SMILES:C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"], "synonym": ["Voriconazole", "Voriconazole", "Voriconazole", "Voriconazole", "Voriconazole", "Voriconazole", "Voriconazol", "Voriconazole", "Voriconazole", "Voriconazole", "NSC-759888", "UK-109,496", "UK-109496", "Vfend", "Voriconazole", "Voriconazole accord", "Voriconazole hikma (previously voriconazole hospira)", "Voriconazole", "Voriconazole"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL157101", "category": ["biolink:ChemicalEntity"], "name": "KETOCONAZOLE", "xref": ["InChIKey:XMAYWYJOQHXEEK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1"], "synonym": ["Ketoconazole", "Ketoconazole", "Ketoconazole", "Ketoconazole", "Ketoconazole", "Ketoconazole", "Ketoconazol", "Ketoconazole", "Ketoconazole", "Ketoconazole", "Ketoconazolum", "J02AB02", "NSC-317629", "R 41,400", "R-41400", "Daktarin gold", "Daktarin intensiv", "Dandrazol", "Dandrid", "Extina", "Ketoconazole", "Ketoconazole hra", "Ketopine", "Ketozole", "Nizoral", "Nizoral a-d", "Nizoral anti-dandruff", "Nizorelle", "Xolegel", "Ketoconazole", "Ketoconazole"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL91", "category": ["biolink:ChemicalEntity"], "name": "MICONAZOLE", "xref": ["InChIKey:BYBLEWFAAKGYCD-UHFFFAOYSA-N", "SMILES:Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"], "synonym": ["Miconazole", "Miconazole", "Miconazole", "Miconazole", "Miconazol", "Miconazole", "Miconazole", "Vusion", "NSC-170986", "Conofite", "Dermazole", "Dumicoat", "Loramyc", "Micatin", "Monistat", "Monistat-3", "Oravig"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL64391", "category": ["biolink:ChemicalEntity"], "name": "ITRACONAZOLE", "xref": ["InChIKey:VHVPQPYKVGDNFY-UHFFFAOYSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"], "synonym": ["Itraconazole", "Itraconazole", "Itraconazole", "Itraconazole", "Itraconazole", "Itraconazole", "Itraconazol", "Itraconazole", "Itraconazole", "Candistat", "Canditral", "Cladosal 100", "Fungitraxx", "Itrac", "Itraconazole", "Itralek", "Itrizole", "Orungal", "Sempera", "Spherazole cr", "Spherazole ir", "Sporamelt", "Sporonox", "Traconal", "Triasporin", "NSC-759239", "R 51,211", "R-51211", "Fungitraxx", "Itraconazole", "Itraconazole component of suba-", "Sporanox", "Sporanox i.v.", "Sporanox-pulse", "Itraconazole", "Itraconazole"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1714574", "category": ["biolink:ChemicalEntity"], "name": "TERCONAZOLE", "xref": ["InChIKey:BLSQLHNBWJLIBQ-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1"], "synonym": ["Terconazole", "Terconazole", "Terconazole", "Terconazole", "Terconazol", "Terconazole", "Fungistat", "Terconazole", "Tercospor", "Termayazole", "Triaconazole", "NSC-331942", "R 42470", "R-42,470", "R-42470", "Gyno-terazol", "Panlomyc", "Terazol 3", "Terazol 7", "Terconazole", "Terconazole", "Terconazole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1559", "category": ["biolink:ChemicalEntity"], "name": "MICONAZOLE NITRATE", "xref": ["InChIKey:MCCACAIVAXEFAL-UHFFFAOYSA-N", "SMILES:Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O"], "synonym": ["Miconazole nitrate", "Miconazole nitrate", "Miconazole nitrate", "Miconazole nitrate", "Baza cream", "Baza cream antifungal", "Miconazole nitrate", "Miconazoli nitras", "Priconazole", "NSC-169434", "R 14,889", "R-14889", "Acorvio", "Daktarin aktiv", "Dermonistat", "Femeron", "Gyno-daktarin", "M-zole 3 combination pack", "M-zole 7 dual pack", "Miconazole 3", "Miconazole 3 combination pack", "Miconazole 7", "Miconazole 7 combination pack", "Miconazole nitrate", "Miconazole nitrate combination pack", "Miconazole nitrate component of easotic", "Miconazole nitrate component of vusion", "Monistat", "Monistat 1 combination pack", "Monistat 3", "Monistat 3 combination pack", "Monistat 3 combination pack (prefilled)", "Monistat 5", "Monistat 7", "Monistat 7 combination pack", "Monistat-3 combination pack", "Monistat-derm", "Miconazole nitrate", "Miconazole nitrate"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL106", "category": ["biolink:ChemicalEntity"], "name": "FLUCONAZOLE", "xref": ["InChIKey:RFHAOTPXVQNOHP-UHFFFAOYSA-N", "SMILES:OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F"], "synonym": ["Fluconazole", "Fluconazole", "Fluconazole", "Fluconazole", "Fluconazole", "Fluconazol", "Fluconazole", "Fluconazole", "Alkanazole", "Difluconazole", "Fluconazole", "Fluconazoli", "Zoltec", "BAYT-006267", "BAYT006267", "NSC-758661", "UK-49,858", "UK-49858", "Canesten oral", "Diflucan", "Diflucan one", "Fluconazole", "Triflucan", "Fluconazole", "Fluconazole"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200348", "category": ["biolink:ChemicalEntity"], "name": "SULCONAZOLE NITRATE", "xref": ["InChIKey:CRKGMGQUHDNAPB-UHFFFAOYSA-N", "SMILES:Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O"], "synonym": ["Sulconazole nitrate", "Sulconazole nitrate", "Sulconazole nitrate", "Sulcosyn", "NSC-757849", "RS-44872", "RS-44872-00-10-3", "RS-44872-00-1O-3", "Exelderm", "Myk", "Sulconazole nitrate", "Sulconazole nitrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200438", "category": ["biolink:ChemicalEntity"], "name": "TIOCONAZOLE", "xref": ["InChIKey:QXHHHPZILQDDPS-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1"], "synonym": ["Tioconazole", "Tioconazole", "Tioconazole", "Tioconazole", "Tioconazole", "Tioconazol", "Tioconazole", "Tioconazole", "Tioconazole", "NSC-759169", "UK-20,349", "UK-20349", "Tioconazole", "Trosyl", "Tz-3", "Vagistat", "Vagistat-1", "Tioconazole", "Tioconazole"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1397", "category": ["biolink:ChemicalEntity"], "name": "POSACONAZOLE", "xref": ["InChIKey:RAGOYPUPXAKGKH-XAKZXMRKSA-N", "SMILES:CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O"], "synonym": ["Posaconazole", "Posaconazole", "Posaconazole", "Posaconazole", "Posaconazole", "Posaconazole", "Posaconazol", "Posaconazole", "Posaconazole", "(-)-posaconazole", "Posaconazole", "SCH 56592", "SCH-56592", "Noxafil", "Noxafil powdermix kit", "Posaconazole accord", "Posaconazole ahcl", "Posaconazole sp", "Posaconazole"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200725", "category": ["biolink:ChemicalEntity"], "name": "SERTACONAZOLE NITRATE", "xref": ["InChIKey:HAAITRDZHUANGT-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O"], "synonym": ["Sertaconazole nitrate", "Sertaconazole nitrate", "Dermofix", "Dermovit", "Sertaconazole mononitrate", "Sertaconazole nitrate", "Zalain", "FI 7056", "FI-7056", "Ertaczo"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200398", "category": ["biolink:ChemicalEntity"], "name": "BUTOCONAZOLE NITRATE", "xref": ["InChIKey:ZHPWRQIPPNZNML-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O"], "synonym": ["Butoconazole nitrate", "Butoconazole nitrate", "Butoconazole nitrate", "RS-35887", "RS-35887-00-10-3", "Butoconazole nitrate", "Femstat", "Femstat 3", "Gynazole", "Gynazole-1", "Butoconazole nitrate", "Butoconazole nitrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200836", "category": ["biolink:ChemicalEntity"], "name": "OXICONAZOLE NITRATE", "xref": ["InChIKey:WVNOAGNOIPTWPT-NDUABGMUSA-N", "SMILES:Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O"], "synonym": ["Oxiconazole nitrate", "Oxiconazole nitrate", "Oxiconazole nitrate", "Oxiconazole nitrate", "NSC-758958", "RO 13-8996", "RO-13-8996", "SGD 301-76", "SGD-301-76", "ST-813", "Oceral", "Oxiconazole nitrate", "Oxistat", "Oxiconazole nitrate", "Oxiconazole nitrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL122", "category": ["biolink:ChemicalEntity"], "name": "ROFECOXIB", "xref": ["InChIKey:RZJQGNCSTQAWON-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1"], "synonym": ["Rofecoxib", "Rofecoxib", "Rofecoxib", "Rofecoxib", "Rofecoxib", "Rofecoxib", "Rofecoxib", "Rofecoxib", "M01AH02", "MK-0966", "MK-966", "MK0966", "NSC-720256", "NSC-758705", "TRM-201", "TRM201", "Vioxx", "Rofecoxib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Prostaglandin G/H synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL230"], "id": "UniProtKB:P35354", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1316", "category": ["biolink:ChemicalEntity"], "name": "CARPROFEN", "xref": ["InChIKey:PUXBGTOOZJQSKH-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12"], "synonym": ["Carprofen", "Carprofen", "Carprofen", "Carprofene", "Carprofeno", "Carprofen for veterinary use", "NSC-297935", "RO 20-5720/000", "RO-20-5720/000", "Ro-20-5720-000", "Rimadyl", "Carprofen"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL599", "category": ["biolink:ChemicalEntity"], "name": "MELOXICAM", "xref": ["InChIKey:ZRVUJXDFFKFLMG-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1"], "synonym": ["Meloxicam", "Meloxicam", "Meloxicam", "Meloxicam", "Meloxicam", "Meloxicam", "Meloxicam", "Meloxicam", "Acticam", "Contacera", "Coxicam", "Emdocam", "Flexicam", "Inflacam", "Loxicom", "Melfax", "Melosus", "Melovem", "Meloxicam", "Meloxidolor", "Meloxidyl", "Meloxivet", "Meloxoral", "Metacam", "Movatec", "Recocam", "Revitacam", "Rheumocam", "Uhac-62xx", "N-1539", "N1539", "UH-AC 62XX", "UH-AC-62 XX", "Acticam", "Anjeso", "Contacera", "Emdocam", "Flexicam", "Inflacam", "Loxicom", "Loxitab", "Melosus", "Melovem", "Meloxicam", "Meloxicam component of zeleris", "Meloxicam component of zynrelef", "Meloxidolor", "Meloxidyl", "Meloxivet", "Meloxoral", "Metacam", "Mobic", "Novaquin", "Novem", "Qmiiz odt", "Recocam", "Revitacam", "Rheumocam", "Vivlodex", "Meloxicam", "Meloxicam"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1070", "category": ["biolink:ChemicalEntity"], "name": "NABUMETONE", "xref": ["InChIKey:BLXXJMDCKKHMKV-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(CCC(C)=O)ccc2c1"], "synonym": ["Nabumetone", "Nabumetone", "Nabumetone", "Nabumetone", "Nabumetone", "Nabumetona", "Nabumetone", "Nabumetone", "Nabumetone", "BRL 14777", "BRL-14777", "NSC-758623", "Nabumetone", "Relafen", "Relifex", "Nabumetone", "Nabumetone"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL865", "category": ["biolink:ChemicalEntity"], "name": "VALDECOXIB", "xref": ["InChIKey:LNPDTQAFDNKSHK-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1"], "synonym": ["Valdecoxib", "Valdecoxib", "Valdecoxib", "Valdecoxib", "Valdecoxib", "Valdecoxib", "Valdecoxib", "Valdecoxib", "Valdyn", "NSC-759846", "SC-65872", "Bextra", "Valdyn", "Valdyn (previously kudeq)", "Valdecoxib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL118", "category": ["biolink:ChemicalEntity"], "name": "CELECOXIB", "xref": ["InChIKey:RZEKVGVHFLEQIL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1"], "synonym": ["Celecoxib", "Celecoxib", "Celecoxib", "Celecoxib", "Celecoxib", "Celecoxib", "Celecoxib", "Celecoxib", "Celecoxib", "DFN-15", "DFN15", "NSC-719627", "NSC-758624", "SC-58635", "Celebra", "Celebrex", "Celecoxib", "Celecoxib component of consensi", "Celecoxib component of seglentis", "Elyxyb", "Onsenal", "Celecoxib", "Celecoxib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL622", "category": ["biolink:ChemicalEntity"], "name": "ETODOLAC", "xref": ["InChIKey:NNYBQONXHNTVIJ-UHFFFAOYSA-N", "SMILES:CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3"], "synonym": ["Etodolac", "Etodolac", "Etodolac", "Etodolac", "Etodolac", "Etodolic acid", "Etodolaco", "Etodolac", "(rs)-etodolic acid", "Eccoxolac", "Edolan", "Etodolac", "Flancox", "Lodin xl", "Napilac", "Tedolan", "Ultradol", "Zedolac", "AY-24,236", "AY-24-236", "AY-24236", "NIH-9918", "NSC-282126", "Ebretin", "Etodolac", "Etolyn", "Etopan xl", "Lodine", "Lodine sr", "Lodine xl", "Ramodar", "Etodolac", "Etodolac"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2218896", "category": ["biolink:ChemicalEntity"], "name": "NABILONE", "xref": ["InChIKey:GECBBEABIDMGGL-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21"], "synonym": ["Nabilone", "Nabilone", "Nabilone", "Nabilone", "Nabilone", "Nabilona", "Nabilone", "Nabilone", "CPD 109514", "CPD-109514", "Cesamet", "Nabilone"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Cannabinoid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL218"], "id": "UniProtKB:P21554", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465", "category": ["biolink:ChemicalEntity"], "name": "DRONABINOL", "xref": ["InChIKey:CYQFCXCEBYINGO-IAGOWNOFSA-N", "SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"], "synonym": ["Dronabinol", "Dronabinol", "Dronabinol", "Tetrahydrocannabinols (-)-trans-.delta.9-form", ".delta.-9-tetrahydrocannabinol", ".delta.1-thc", ".delta.9-tetrahydrocannabinol", ".delta.9-thc", "Delta-9-tetrahydrocannabinol", "Delta-9-thc", "Dronabinol", "Tetrahydrocannabinol", "ABBOTT 40566", "ABBOTT-40566", "J882F", "NSC-134454", "QCD 84924", "QCD-84924", "SP 104", "SP-104", "Dronabinol", "Dronabinol component of ad-313", "Dronabinol component of ad313", "Dronabinol component of sci-110", "Marinol", "Syndros", "Dronabinol", "Dronabinol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL754", "category": ["biolink:ChemicalEntity"], "name": "FOSCARNET SODIUM", "xref": ["InChIKey:DFHAXXVZCFXGOQ-UHFFFAOYSA-K", "SMILES:O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]"], "synonym": ["Foscarnet sodium", "Foscarnet sodium", "Foscarnet sodium", "Foscarnet sodium", "Foscarnet sodique", "Foscarnet de sodio", "Foscarnet sodium hydrate", "Foscarnet sodium", "Foscarnet sodium hexahydrate", "Foscarnet sodium", "Foscarnet sodium anhydrous", "Foscarnet sodium hydrate", "Foscarnet trisodium hexahydrate", "A-29622", "EHB 776", "EHB-776", "NSC-313410", "NSC-758148", "Foscarnet sodium", "Foscavir", "Foscarnet sodium", "Foscarnet sodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "DNA polymerase catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL1872"], "id": "UniProtKB:P04293", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314375", "category": ["biolink:ChemicalEntity"], "name": "CIDOFOVIR", "xref": ["InChIKey:FPKARFMSZDBYQF-ILKKLZGPSA-N", "SMILES:Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1.O.O"], "synonym": ["Cidofovir", "Cidofovir", "Cidofovir", "Cidofovir", "Cidofovir", "Cidofovir", "Cidofovir", "Cidofovir", "Cidofovir dihydrate", "Hpmpc dihydrate", "GS-0504", "NSC-742135", "Cidofovir", "Vistide", "Cidofovir", "Cidofovir"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2079793", "category": ["biolink:ChemicalEntity"], "name": "PENCICLOVIR SODIUM", "xref": ["InChIKey:NMQFQBOIHUIALG-UHFFFAOYSA-M", "SMILES:Nc1nc([O-])c2ncn(CCC(CO)CO)c2n1.[Na+]"], "synonym": ["Penciclovir sodium", "Sodium penciclovir", "BRL-39123-D", "Penciclovir sodium"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1200850", "category": ["biolink:ChemicalEntity"], "name": "GANCICLOVIR SODIUM", "xref": ["InChIKey:JJICLMJFIKGAAU-UHFFFAOYSA-M", "SMILES:Nc1nc([O-])c2ncn(COC(CO)CO)c2n1.[Na+]"], "synonym": ["Ganciclovir sodium", "Ganciclovir sodium salt", "Cytovene iv", "Ganciclovir (as sodium)", "Ganciclovir sodium", "RS-21592 SODIUM", "Cytovene", "Ganciclovir sodium", "Ganciclovir sodium"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL182", "category": ["biolink:ChemicalEntity"], "name": "GANCICLOVIR", "xref": ["InChIKey:IRSCQMHQWWYFCW-UHFFFAOYSA-N", "SMILES:Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1"], "synonym": ["Ganciclovir", "Ganciclovir", "Ganciclovir", "Ganciclovir", "Ganciclovir", "Ganciclovir", "Ganciclovir", "Ganciclovir", "Ganciclovir", "Gancyclovir", "BW 759U", "BW-759U", "NSC-759656", "RS-21592", "Cymevene", "Cytovene", "Ganciclovir", "Ganzyk-rtu", "Virgan", "Vitrasert", "Vitrasert implant", "Zirgan", "Ganciclovir", "Ganciclovir", "Valganciclovir hydrochloride impurity a"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL184", "category": ["biolink:ChemicalEntity"], "name": "ACYCLOVIR", "xref": ["InChIKey:MKUXAQIIEYXACX-UHFFFAOYSA-N", "SMILES:Nc1nc2c(ncn2COCCO)c(=O)[nH]1"], "synonym": ["Aciclovir", "Aciclovir", "Aciclovir", "Acyclovir", "Aciclovir", "Aciclovir", "Acyclovir", "Aciclovir", "Aciclovirum", "Acyclovir", "Gerpevir", "Novirus", "NSC-645011", "NSC-758477", "Acycloguanosine", "Acyclovir", "Acyclovir component of xerese", "Avaclyr", "Avert", "Clearsore", "Cymex ultra", "Duvimex", "Herpetad", "Lipsore", "Lypsyl", "Ranovir", "Sitavig", "Soothelip", "Soraway", "Viralief", "Virasorb", "Virovir 200", "Virovir 400", "Virovir 800", "Zovirax", "Acyclovir", "Acyclovir"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200454", "category": ["biolink:ChemicalEntity"], "name": "VALGANCICLOVIR HYDROCHLORIDE", "xref": ["InChIKey:ZORWARFPXPVJLW-MTFPJWTKSA-N", "SMILES:CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21.Cl"], "synonym": ["Valganciclovir hydrochloride", "Valganciclovir hydrochloride", "Valganciclovir hydrochloride", "Valganciclovir hydrochloride", "Valganciclovir (as hydrochloride)", "Valganciclovir hcl", "Valganciclovir hydrochloride", "NSC-760349", "RO-107-9070/194", "RO107-9070/194", "RS-079070-194", "RS-79070-194", "Valcyte", "Valganciclovir hydrochloride", "Valganciclovir hydrochloride", "Valganciclovir hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1090", "category": ["biolink:ChemicalEntity"], "name": "VIDARABINE", "xref": ["InChIKey:OIRDTQYFTABQOQ-UHTZMRCNSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O"], "synonym": ["Vidarabine", "Vidarabine", "Vidarabine", "Vidarabine", "Vidarabine", "Vidarabina", "Vidarabine", "Vidarabine", "Vidarabine monohydrate", "Arabinosyladenine", "Arasena-a", "Vidarabine", "Vidarabine anhydrous", "Vidarabine, anhydrous", "ARA-A", "CI 673", "CI-673", "NSC-247519", "NSC-404241", "NSC-757383", "Vira-a", "Vidarabine", "Vidarabine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200380", "category": ["biolink:ChemicalEntity"], "name": "ACYCLOVIR SODIUM", "xref": ["InChIKey:RMLUKZWYIKEASN-UHFFFAOYSA-M", "SMILES:Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+]"], "synonym": ["Aciclovir sodium", "Acyclovir sodium", "Acyclovir sodium salt", "Aciclovir sodium", "Acyclovir sodium", "Sodium acyclovir", "BW 248U", "BW 248U SODIUM", "BW-248U SODIUM", "BW-248U-SODIUM", "BW248U SODIUM", "Acyclovir sodium", "Zovirax", "Acyclovir sodium"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL880", "category": ["biolink:ChemicalEntity"], "name": "FAMCICLOVIR", "xref": ["InChIKey:GGXKWVWZWMLJEH-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O"], "synonym": ["Famciclovir", "Famciclovir", "Famciclovir", "Famciclovir", "Famciclovir", "Famciclovir", "Famciclovir", "Famciclovir", "BRL-42810", "NSC-758921", "Famciclovir", "Famvir", "Famciclovir", "Famciclovir"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201110", "category": ["biolink:ChemicalEntity"], "name": "VALACYCLOVIR HYDROCHLORIDE", "xref": ["InChIKey:ZCDDBUOENGJMLV-QRPNPIFTSA-N", "SMILES:CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21.Cl"], "synonym": ["Valacyclovir hydrochloride", "Valaciclovir hydrochloride", "Valacyclovir hydrochloride", "Valaciclovir (as hydrochloride)", "Valaciclovir hydrochloride", "Valacyclovir hcl", "Valacyclovir hydrochloride", "256-U-87 HYDROCHLORIDE", "256U", "256U87 HYDROCHLORIDE", "BW-256", "BW-256U87", "NSC-759101", "Valacyclovir hydrochloride", "Valtrex", "Zelitrex", "Valacyclovir hydrochloride", "Valacyclovir hydrochloride"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1668", "category": ["biolink:ChemicalEntity"], "name": "RESCINNAMINE", "xref": ["InChIKey:SZLZWPPUNLXJEA-QEGASFHISA-N", "SMILES:COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC"], "synonym": ["Rescinnamine", "Rescinnamine", "Rescinnamine", "Rescinamina", "Apoterin s", "Cartric", "Cinnaloid", "Rescisan", "Resealoid", "Reserpinine", "Scinnamina", "Tsuruselpi s", "NSC-15628", "Cinnasil", "Moderil"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Synaptic vesicular amine transporter", "xref": ["CHEMBL.TARGET:CHEMBL1893"], "id": "UniProtKB:Q05940", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL772", "category": ["biolink:ChemicalEntity"], "name": "RESERPINE", "xref": ["InChIKey:QEVHRUUCFGRFIF-MDEJGZGSSA-N", "SMILES:COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC"], "synonym": ["Reserpine", "Reserpine", "Reserpine", "Reserpina", "Reserpine", "Apoplon", "Reserpine", "Reserpinum", "ENT-50146", "NSC-237659", "NSC-59272", "Hiserpia", "Rau-sed", "Reserpine", "Reserpine component of cam-ap-es", "Reserpine component of demi-regroton", "Reserpine component of diutensen-r", "Reserpine component of dralserp", "Reserpine component of h.r.-50", "Reserpine component of hydralazine hydrochloride-hydrochlorothiazide-", "Reserpine component of hydrap-es", "Reserpine component of hydro-reserp", "Reserpine component of hydromox r", "Reserpine component of hydropres", "Reserpine component of hydroserpine plus (r-h-h)", "Reserpine component of metatensin", "Reserpine component of naquival", "Reserpine component of regroton", "Reserpine component of renese-r", "Reserpine component of salutensin", "Reserpine component of ser-a-gen", "Reserpine component of ser-ap-es", "Reserpine component of serpasil-apresoline", "Reserpine component of serpasil-esidrix", "Reserpine component of unipres", "Sandril", "Serpalan", "Serpanray", "Serpasil", "Serpate", "Serpivite"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200515", "category": ["biolink:ChemicalEntity"], "name": "DESERPIDINE", "xref": ["InChIKey:CVBMAZKKCSYWQR-WCGOZPBSSA-N", "SMILES:COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC"], "synonym": ["Deserpidine", "Deserpidine", "Deserpidine", "Deserpidina", "Deserpidine, (-)-", "Halmonyl", "NSC-72138", "Deserpidine component of enduronyl", "Deserpidine component of oreticyl forte", "Harmonyl"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL117785", "category": ["biolink:ChemicalEntity"], "name": "TETRABENAZINE", "xref": ["InChIKey:MKJIEFSOBYUXJB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2"], "synonym": ["Tetrabenazine", "Tetrabenazine", "Tetrabenazine", "Tetrabenazine", "Tetrabenazina", "Tetrabenazine", "NSC-169886", "RO 1-9569", "RO-1-9569", "RO-19569", "Nitoman", "Revocon", "Tetmodis", "Tetrabenazine", "Xenazine", "Xenazine 25", "Tetrabenazine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2218878", "category": ["biolink:ChemicalEntity"], "name": "TRIMETREXATE GLUCURONATE", "xref": ["InChIKey:DQOGWKZQQBYYMW-LQGIGNHCSA-N", "SMILES:COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Trimetrexate glucuronate", "Trimetrexate d-glucuronate", "Trimetrexate glucuronate", "NSC-352122", "Neutrexin", "Trimetrexate glucuronate"], "chembl_availability_type": "discontinued"}
{"name": "Dihydrofolate reductase", "xref": ["CHEMBL.TARGET:CHEMBL1926"], "id": "UniProtKB:P16184", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4754"]}
{"name": "Histone deacetylase 2", "xref": ["CHEMBL.TARGET:CHEMBL1937"], "id": "UniProtKB:Q92769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282042", "category": ["biolink:ChemicalEntity"], "name": "SAQUINAVIR MESYLATE", "xref": ["InChIKey:IRHXGOXEBNJUSN-YOXDLBRISA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1.CS(=O)(=O)O"], "synonym": ["Saquinavir mesylate", "Saquinavir mesylate", "Saquinavir mesylate", "Saquinavir mesilate", "Saquinavir methanesulfonate salt", "Saquinavir mesilate", "Saquinavir mesylate", "RO 31-8959/003", "RO-31-8959/003", "RO-318959003", "Ro-31-8959-003", "Invirase", "Saquinavir mesylate", "Saquinavir mesylate"], "chembl_availability_type": "discontinued"}
{"name": "Human immunodeficiency virus type 1 protease", "synonym": ["Pol polyprotein"], "xref": ["CHEMBL.TARGET:CHEMBL243"], "id": "UniProtKB:Q72874", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL163", "category": ["biolink:ChemicalEntity"], "name": "RITONAVIR", "xref": ["InChIKey:NCDNCNXCDXHOMX-XGKFQTDJSA-N", "SMILES:CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1"], "synonym": ["Ritonavir", "Ritonavir", "Ritonavir", "Ritonavir", "Ritonavir", "Ritonavir", "Ritonavir", "Ritonavir", "Empetus", "Ritomune", "Ritonavir", "Ritonavirum", "Ritovir", "Viekirax", "Viriton", "A-84538", "ABBOTT-84538", "ABT-538", "NSC-693184", "Norvir", "Ritonavir", "Ritonavir component of kaletra", "Ritonavir component of paxlovid", "Ritonavir component of technivie", "Ritonavir component of viekirax", "Ritonavir component of xiannuoxin", "Ritonavir mylan", "Ritonavir", "Ritonavir", "Ritonavir related compounds mixture"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1205", "category": ["biolink:ChemicalEntity"], "name": "NELFINAVIR MESYLATE", "xref": ["InChIKey:NQHXCOAXSHGTIA-SKXNDZRYSA-N", "SMILES:CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C"], "synonym": ["Nelfinavir mesilate", "Nelfinavir mesylate", "Nelfinavir mesylate", "Nelfinavir mesilate", "Nelfinavir methanesulfonate", "Nelfinavir mesilate", "Nelfinavir mesylate", "Nelfinaviri mesilas", "AG-1343", "AG1343", "Viracept", "Nelfinavir mesylate", "Nelfinavir mesylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL116", "category": ["biolink:ChemicalEntity"], "name": "AMPRENAVIR", "xref": ["InChIKey:YMARZQAQMVYCKC-OEMFJLHTSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1"], "synonym": ["Amprenavir", "Amprenavir", "Amprenavir", "Amprenavir", "Amprenavir", "Amprenavir", "Amprenavir", "Amprenavir", "Amprenavir", "141 W94", "141W94", "J05AE05", "KVX-478", "VX-478", "Agenerase", "Amprenavir"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200734", "category": ["biolink:ChemicalEntity"], "name": "FOSAMPRENAVIR CALCIUM", "xref": ["InChIKey:PMDQGYMGQKTCSX-HQROKSDRSA-L", "SMILES:CC(C)CN(C[C@@H](OP(=O)([O-])[O-])[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1.[Ca+2]"], "synonym": ["Fosamprenavir calcium", "Fosamprenavir calcium", "Fosamprenavir calcium", "Fosamprenavir calcium salt", "Fosamprenavir calcium", "GW 433908G", "GW-433908G", "Fosamprenavir calcium", "Lexiva", "Telzir", "Fosamprenavir calcium"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL114", "category": ["biolink:ChemicalEntity"], "name": "SAQUINAVIR", "xref": ["InChIKey:QWAXKHKRTORLEM-UGJKXSETSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1"], "synonym": ["Saquinavir", "Saquinavir", "Saquinavir", "Saquinavir", "Saquinavir", "Saquinavir", "Saquinavir", "Saquinavir", "Saquinavirum", "RO 31-8959/000", "RO-31-8959/000", "SCH-52852", "Fortovase", "Saquinavir", "Saquinavir"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL729", "category": ["biolink:ChemicalEntity"], "name": "LOPINAVIR", "xref": ["InChIKey:KJHKTHWMRKYKJE-SUGCFTRWSA-N", "SMILES:Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O"], "synonym": ["Lopinavir", "Lopinavir", "Lopinavir", "Lopinavir", "Lopinavir", "Aluviran", "Koletra", "Lopinavir", "Lopinavir, (s-(2s,4s,5s))-", "Lopinavir-", "Lopinavirum", "A-157378-0", "A-157378.0", "ABT-378", "Lopinavir component of kaletra", "Lopinavir", "Lopinavir"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL222559", "category": ["biolink:ChemicalEntity"], "name": "TIPRANAVIR", "xref": ["InChIKey:SUJUHGSWHZTSEU-FYBSXPHGSA-N", "SMILES:CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1"], "synonym": ["Tipranavir", "Tipranavir", "Tipranavir", "Tipranavir", "Tipranavir", "Tipranavir", "Tipranavir", "Tipranavir", "U-140690", "Aptivus"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201127", "category": ["biolink:ChemicalEntity"], "name": "DARUNAVIR ETHANOLATE", "xref": ["InChIKey:QWSHKNICRJHQCY-VBTXLZOXSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1.CCO"], "synonym": ["Darunavir ethanolate", "Darunavir monoethanolate", "Darunavir (as ethanolate)", "Darunavir monoethanolate", "Rezolsta", "Tmc114 ethanolate", "Darunavir ethanolate component of prezcobix", "Darunavir ethanolate component of symtuza  darunavir", "Prezista"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1735", "category": ["biolink:ChemicalEntity"], "name": "INDINAVIR SULFATE", "xref": ["InChIKey:NUBQKPWHXMGDLP-BDEHJDMKSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.O=S(=O)(O)O"], "synonym": ["Indinavir sulfate", "Indinavir sulfate ethanolate", "Indinavir sulfate", "Indinavir sulfate", "Indinavir sulfate", "Indinavir sulphate", "Indinaviri sulfas", "L-735,524", "L-735524", "MK-639", "NSC-697197", "Crixivan", "Indinavir sulfate", "Indinavir sulfate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200678", "category": ["biolink:ChemicalEntity"], "name": "ATAZANAVIR SULFATE", "xref": ["InChIKey:DQSGVVGOPRWTKI-QVFAWCHISA-N", "SMILES:COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O"], "synonym": ["Atazanavir (as sulfate)", "Atazanavir sulfate", "Atazanavir sulfate", "Atazanavir sulfate", "Atazanavir sulfate", "Atazanavir so4", "Atazanavir sulfate", "Atazanavir sulphate", "Atazanaviri sulfas", "Atazor", "BMS-232632-05", "NSC-742546", "Atazanavir krka", "Atazanavir mylan", "Atazanavir sulfate", "Atazanavir sulfate component of evotaz", "Atazanavir viatris (previously atazanavir mylan)", "Reyataz", "Atazanavir sulfate", "Atazanavir sulfate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1083385", "category": ["biolink:ChemicalEntity"], "name": "CLOPIDOGREL BISULFATE", "xref": ["InChIKey:FDEODCTUSIWGLK-RSAXXLAASA-N", "SMILES:COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O"], "synonym": ["Clopidogrel bisulfate", "Clopidogrel bisulfate", "Clopidogrel sulfate", "Clopidogrel hydrogen sulfate", "Clopidogrel (as bisulfate)", "Clopidogrel (as hydrogen sulfate)", "Clopidogrel bisulfate", "Clopidogrel bisulphate", "Clopidogrel bms", "Clopidogrel hydrogen sulphate", "Clopidogrel teva", "Clopidogrel zentiva", "Clopidogrel-bgr", "Clopidogrel-bms", "Isocover", "Pidogrel", "SR 25990C", "SR-25990C", "Clopidogrel bgr (previously zylagren)", "Clopidogrel bisulfate", "Clopidogrel bisulfate component of clopidogrel/acetylsalicyclic acid teva", "Clopidogrel bisulfate component of duocover", "Clopidogrel bisulfate component of duoplavin", "Clopidogrel bms", "Clopidogrel ratiopharm", "Clopidogrel teva (hydrogen sulphate)", "Clopidogrel zentiva (previously clopidogrel winthrop)", "Iscover", "Plavix", "Zyllt", "Clopidogrel bisulfate", "Clopidogrel bisulfate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "P2Y purinoceptor 12", "xref": ["CHEMBL.TARGET:CHEMBL2001"], "id": "UniProtKB:Q9H244", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1717", "category": ["biolink:ChemicalEntity"], "name": "TICLOPIDINE HYDROCHLORIDE", "xref": ["InChIKey:MTKNGOHFNXIVOS-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccccc1CN1CCc2sccc2C1"], "synonym": ["Ticlopidine hydrochloride", "Ticlopidine hydrochloride", "Ticlopidine hydrochloride", "Ticlopidine hydrochloride", "Ipaton", "Ticlopidine hcl", "Ticlopidine hydrochloride", "4-C-32", "53-32C", "NSC-759165", "Ticlid", "Ticlopidine hydrochloride", "Tiklid", "Ticlopidine hydrochloride", "Ticlopidine hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL398435", "category": ["biolink:ChemicalEntity"], "name": "TICAGRELOR", "xref": ["InChIKey:OEKWJQXRCDYSHL-FNOIDJSQSA-N", "SMILES:CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1"], "synonym": ["Ticagrelor", "Ticagrelor", "Ticagrelor", "Ticagrelor", "Ticagrelor", "Ticagrelor", "Possia", "Ticagrelor", "AR-C126532XX", "AZD-6140", "AZD6140", "Brilinta", "Brilique", "Possia", "Ticagrelor", "Ticagrelor"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201773", "category": ["biolink:ChemicalEntity"], "name": "PRASUGREL HYDROCHLORIDE", "xref": ["InChIKey:JALHGCPDPSNJNY-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.Cl"], "synonym": ["Prasugrel hydrochloride", "Prasugrel hydrochloride", "Prasu doc", "Prasugrel hcl", "LY640315", "Effient", "Efient", "Prasugrel hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Muscarinic acetylcholine receptor M2", "xref": ["CHEMBL.TARGET:CHEMBL211"], "id": "UniProtKB:P08172", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proto-oncogene tyrosine-protein kinase receptor Ret", "xref": ["CHEMBL.TARGET:CHEMBL2041"], "id": "UniProtKB:P07949", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108667", "category": ["biolink:ChemicalEntity"], "name": "YTTRIUM Y 90 IBRITUMOMAB TIUXETAN", "synonym": ["Yttrium y 90 ibritumomab tiuxetan", "(90)y-ibritumomab tiuxetan", "90y ibritumomab tiuxetan", "90y-ibritumomab", "Ibritumomab tiuxetan y-90", "Ibritumomab tiuxetan yttrium y-90", "Yttrium (90y) ibritumomab tiuxetan", "Yttrium y 90 ibritumomab tiuxetan", "Yttrium y-90 ibritumomab tiuxetan", "Zevalin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "B-lymphocyte antigen CD20", "xref": ["CHEMBL.TARGET:CHEMBL2058"], "id": "UniProtKB:P11836", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201576", "category": ["biolink:ChemicalEntity"], "name": "RITUXIMAB", "synonym": ["Rituximab", "Rituximab", "Rituximab", "Rituximab", "Rituximab", "Rituximab", "Zuberitamab", "Rituximab", "Rituximab", "Bi 695500", "Bi-695500", "Blitzima", "Gp2013", "Mk-8808", "Pf-05280586", "Riabni", "Ritemvia", "Rituximab", "Rituximab (genetical recombination)", "Rituximab (rituxan)", "Rituximab abbs", "Rituximab arrx", "Rituximab biosimilar (amgen)", "Rituximab biosimilar (celltrion)", "Rituximab biosimilar (pfizer)", "Rituximab biosimilar - celltrion", "Rituximab biosimilar -merck", "Rituximab pvvr", "Rituximab-abbs", "Rituximab-arrx", "Rituximab-boehringer ingelheim", "Rituximab-ct-p10", "Rituximab-pfizer", "Rituximab-pvvr", "Ruxience", "Truxima", "Tuxella", "Zuberitamab", "ABP-798", "ABP798", "BI695500", "CT-P10", "GP-2013", "HS-006", "HS-006 (RITUXIMAB BIOSIMILAR)", "HS006", "IDEC-102", "IDEC-C 2B8", "IDEC-C2B8", "IDEC102", "R-105 IDEC-102", "RG-105", "RHCACD20MA", "SAIT-101", "SAIT101", "Blitzima", "Mabthera", "Mabthera rituxan", "Ritemvia", "Rituxan", "Rituximab component of rituxan hycela", "Rituzena (previously tuxella)", "Rixathon", "Riximyo", "Ruxience", "Truxima", "Rituximab", "Usp mab 001, monoclonal igg1"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201836", "category": ["biolink:ChemicalEntity"], "name": "OFATUMUMAB", "synonym": ["Ofatumumab", "Ofatumumab", "Ofatumumab", "Ofatumumab", "Ofatumumab", "Ofatumumab", "Ofatumumab", "2F2", "GSK-1841157", "GSK1841157", "GSKI841157", "HUMAX-CD20", "HUMAX-CD20 2F2", "HUMAX-CD20, 2F2", "HUMAX-CD20-2F2", "Arzerra", "Kesimpta", "Ofatumumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201604", "category": ["biolink:ChemicalEntity"], "name": "TOSITUMOMAB", "synonym": ["Tositumomab", "Tositumomab", "Tositumomab", "Tositumomab", "Tositumomab component of bexxar"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Tyrosine-protein kinase ITK/TSK", "xref": ["CHEMBL.TARGET:CHEMBL2959"], "id": "UniProtKB:Q08881", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201121", "category": ["biolink:ChemicalEntity"], "name": "HETACILLIN POTASSIUM", "xref": ["InChIKey:QRSPJBLLJXVPDD-XFAPPKAWSA-M", "SMILES:CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-].[K+]"], "synonym": ["Hetacillin potassium", "Hetacillin potassium", "Hetacillin potassium salt", "Hetacin-k", "Natacillin", "Potassium hetacillin", "Versatrex", "NSC-757046", "Versapen-k", "Hetacillin potassium", "Hetacillin potassium"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2362973", "category": ["biolink:ProteinFamily"], "name": "Penicillin-binding protein"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201116", "category": ["biolink:ChemicalEntity"], "name": "HETACILLIN", "xref": ["InChIKey:DXVUYOAEDJXBPY-NFFDBFGFSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O"], "synonym": ["Hetacillin", "Hetacillin", "Hetacillin", "Hetacillin", "Hetacilline", "Hetacilina", "Hetacillin acid", "BL-P 804", "BL-P-804", "BLP-804", "BRL-804", "Hetacin", "Versapen", "Hetacillin", "Hetacillin"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1134", "category": ["biolink:ChemicalEntity"], "name": "DECAMETHONIUM BROMIDE", "xref": ["InChIKey:HLXQFVXURMXRPU-UHFFFAOYSA-L", "SMILES:C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]"], "synonym": ["Decamethonium bromide", "Decamethonium bromide", "Bromure de decamethonium", "Bromuro de decametonio", "Decamethonium diiodide", "NSC-23004", "Syncurine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2362997", "category": ["biolink:MacromolecularComplex"], "name": "Muscle-type nicotinic acetylcholine receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200757", "category": ["biolink:ChemicalEntity"], "name": "PANCURONIUM BROMIDE", "xref": ["InChIKey:NPIJXCQZLFKBMV-YTGGZNJNSA-L", "SMILES:CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-]"], "synonym": ["Pancuronium bromide", "Pancuronium bromide", "Pancuronium bromide", "Pancuronium bromide", "Bromure de pancuronium", "Bromuro de pancuronio", "Pancuronium bromide", "Bromurex", "Mioblock", "NSC-293162", "ORG NA 97", "ORG-NA 97", "ORG-NA-97", "Pancuronium bromide", "Pavulon", "Pancuronium bromide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200641", "category": ["biolink:ChemicalEntity"], "name": "CISATRACURIUM BESYLATE", "xref": ["InChIKey:XXZSQOVSEBAPGS-DONVQRBFSA-L", "SMILES:COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1"], "synonym": ["Cisatracurium besilate", "Cisatracurium besylate", "Cisatracurium besilate", "Besilate de cisatracurium", "Besilato de cisatracurio", "Cisatracurium besylate", "Cisatracurium (as besilate)", "Cisatracurium besilate", "Cisatracurium besylate", "51 W89", "51-W-89", "51-W89", "51W-89", "51W89", "Cisatracurium besylate", "Cisatracurium besylate preservative free", "Nimbex", "Nimbex preservative free", "Cisatracurium besylate", "Cisatracurium besylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200993", "category": ["biolink:ChemicalEntity"], "name": "GALLAMINE TRIETHIODIDE", "xref": ["InChIKey:REEUVFCVXKWOFE-UHFFFAOYSA-K", "SMILES:CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-]"], "synonym": ["Gallamine triethiodide", "Gallamine triethiodide", "Gallamine triethiodide", "Triethiodure de gallamine", "Trietioduro de galamina", "Benzcurine iodide", "Gallamini triethiodidum", "Remyolan", "Syncurarine", "NSC-102690", "Flaxedil", "Gallomone triethiodide", "Relaxan"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237099", "category": ["biolink:ChemicalEntity"], "name": "DOXACURIUM CHLORIDE", "xref": ["InChIKey:APADFLLAXHIMFU-UHFFFAOYSA-L", "SMILES:COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.[Cl-].[Cl-]"], "synonym": ["Doxacurium chloride", "Doxacurium chloride", "Doxacurium chloride", "Doxacurium chloride", "Chlorure de doxacurium", "Cloruro de doxacurio", "Doxacurium chloride, meso-", "Meso doxacurium chloride", "BW A938U DICHLORIDE", "BW-938U DICHLORIDE", "BW-A938U", "BW-A938U DICHLORIDE", "Nuromax", "Doxacurium chloride"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200549", "category": ["biolink:ChemicalEntity"], "name": "RAPACURONIUM BROMIDE", "xref": ["InChIKey:LVQTUXZKLGXYIU-GWSNJHLMSA-M", "SMILES:C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1.[Br-]"], "synonym": ["Rapacuronium bromide", "Rapacuronium bromide", "Rapacuronium bromide", "Bromure de rapacuronium", "Bromuro de rapacuronio", "ORG 9487", "ORG-9487", "ORG9487", "Raplon", "Rapacuronium bromide"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200722", "category": ["biolink:ChemicalEntity"], "name": "PIPECURONIUM BROMIDE", "xref": ["InChIKey:TXWBOBJCRVVBJF-YTGGZNJNSA-L", "SMILES:CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1.[Br-].[Br-]"], "synonym": ["Pipecuronium bromide", "Pipecuronium bromide", "Pipecuronium bromide", "Pipecuronium bromide", "Bromure de pipecuronium", "Bromuro de pipecuronio", "Pipecurium bromide", "Pipecuronium bromide anhydrous", "Pipecuronium bromide dihydrate", "Pipecuronium bromide hydrate", "RGH 1106", "RGH-1106", "Arduan", "Pipecuronium bromide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200527", "category": ["biolink:ChemicalEntity"], "name": "ATRACURIUM BESYLATE", "xref": ["InChIKey:XXZSQOVSEBAPGS-UHFFFAOYSA-L", "SMILES:COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1"], "synonym": ["Atracurium besilate", "Atracurium besilate", "Atracurium besylate", "Atracurium besilate", "Besilate d'atracurium", "Besilato de atracurio", "Atracurium besylate", "Atracurium dibesylate", "BW 33A", "BW-33A", "NSC-760047", "WELLCOME 33-A-74", "Atracurium besylate", "Atracurium besylate preservative free", "Tracrium", "Tracrium preservative free", "Atracurium besylate", "Atracurium besylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1739", "category": ["biolink:ChemicalEntity"], "name": "METOCURINE IODIDE", "xref": ["InChIKey:DIGFQJFCDPKEPF-OIUSMDOTSA-L", "SMILES:COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3.[I-].[I-]"], "synonym": ["Metocurine iodide", "Dimethyl tubocurarine iodide", "Dimethylchondrocurarine iodide", "Dimethyltubocurarinium iodide", "NSC-36388", "Metubine iodide", "Metocurine iodide", "Metocurine iodide"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL984", "category": ["biolink:ChemicalEntity"], "name": "MIVACURIUM CHLORIDE", "xref": ["InChIKey:WMSYWJSZGVOIJW-ONUALHDOSA-L", "SMILES:COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2.[Cl-].[Cl-]"], "synonym": ["Mivacurium chloride", "Mivacurium chloride", "Mivacurium chloride", "Mivacurium chloride", "Mivacurium chloride", "Chlorure de mivacurium", "Cloruro de mivacurio", "Mivacurium chloride", "Bwb109ou", "Mivacurium chloride", "BW B109OU DICHLORIDE", "BW-1090U DICHLORIDE", "BW-B109OU DICHLORIDE", "MIVACURIUM CHLORIDE", "Mivacron", "Mivacurium chloride", "Mivacurium chloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200648", "category": ["biolink:ChemicalEntity"], "name": "ROCURONIUM BROMIDE", "xref": ["InChIKey:OYTJKRAYGYRUJK-FMCCZJBLSA-M", "SMILES:C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-]"], "synonym": ["Rocuronium bromide", "Rocuronium bromide", "Rocuronium bromide", "Rocuronium bromide", "Rocuronium bromide", "Bromure de rocuronium", "Bromuro de rocuronio", "Rocuronium bromide", "Rocuronium bromide", "Rocuronium bromide", "ORG 9426", "ORG-9426", "Esmeron", "Rocuronium bromide", "Zemuron", "Rocuronium bromide", "Rocuronium bromide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL983", "category": ["biolink:ChemicalEntity"], "name": "SUCCINYLCHOLINE CHLORIDE", "xref": ["InChIKey:YOEWQQVKRJEPAE-UHFFFAOYSA-L", "SMILES:C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-]"], "synonym": ["Suxamethonium chloride", "Suxamethonium chloride", "Suxamethonium chloride", "Succinylcholine chloride", "Suxamethonium chloride", "Chlorure de suxamethonium", "Cloruro de suxametonio", "Suxamethonium chloride", "Suxamethonium chloride hydrate", "Succinylcholine chloride", "Choline chloride succinate (2:1)", "Succinylcholine chloride", "Suxamethone", "Suxamethonii chloridum", "Suxamethonium chloride", "Suxamethonium chloride dihydrate", "Suxamethonium chloride hydrate", "NSC-49132", "Anectine", "Quelicin", "Quelicin preservative free", "Scoline", "Succinylcholine chloride", "Sucostrin", "Succinylcholine chloride", "Succinylcholine chloride"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989821", "category": ["biolink:ChemicalEntity"], "name": "TUBOCURARINE CHLORIDE", "xref": ["InChIKey:WMIZITXEJNQAQK-GGDSLZADSA-N", "SMILES:COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-]"], "synonym": ["Tubocurarine chloride", "Tubocurarine chloride", "Tubocurarine chloride", "Chlorure de tubocurarine", "Cloruro de tubocurarina", "Tubocurarine chloride hydrochloride hydrate", "Curare", "Tubaine", "Tubarine pentahydrate", "Tubocurarine chloride", "Tubocurarine chloride anhydrous", "Tubocurarine chloride, anhydrous", "Tubocurarini chloridum", "NSC-757362", "Jexin", "Tubarine", "Tubocurarine chloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200629", "category": ["biolink:ChemicalEntity"], "name": "VECURONIUM BROMIDE", "xref": ["InChIKey:VEPSYABRBFXYIB-PWXDFCLTSA-M", "SMILES:CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-]"], "synonym": ["Vecuronium bromide", "Vecuronium bromide", "Vecuronium bromide", "Vecuronium bromide", "Bromure de vecuronium", "Bromuro de vecuronio", "Vecuronium bromide", "Vecuronium bromide", "Vecuronium bromide", "NSC-759184", "ORG NC 45", "ORG-NC 45", "Musculax", "Norcuron", "Vecuronium bromide", "Vecuronium bromide", "Pancuronium bromide impurity, vecuronium bromide -", "Vecuronium bromide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363043", "category": ["biolink:ProteinFamily"], "name": "Ephrin receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1308", "category": ["biolink:ChemicalEntity"], "name": "FOMEPIZOLE", "xref": ["InChIKey:RIKMMFOAQPJVMX-UHFFFAOYSA-N", "SMILES:Cc1cn[nH]c1"], "synonym": ["Fomepizole", "Fomepizole", "Fomepizole", "Fomepizole", "Fomepizol", "Fomepizole", "Fomepizole", "4-methylpyrazole", "Fomepizole", "4-MP", "NSC-760365", "Antizol", "Fomepizole", "Fomepizole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363044", "category": ["biolink:MacromolecularComplex"], "name": "Alcohol dehydrogenase class I"}
{"id": "CHEMBL.TARGET:CHEMBL2363048", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.TARGET:CHEMBL2363046", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.TARGET:CHEMBL2363047", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.TARGET:CHEMBL2363049", "category": ["biolink:ProteinFamily"], "name": "Epidermal growth factor receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067487", "category": ["biolink:ChemicalEntity"], "name": "IVERMECTIN", "synonym": ["Ivermectin", "Ivermectin", "Ivermectin", "Ivermectin", "Ivermectin", "Ivermectine", "Ivermectina", "Ivermectin", "Ivermectin", "Ivermectin component of b1a", "22,23-dihydro c-076b1", "22,23-dihydroabamectin", "22,23-dihydroavermectin b1", "22,23-dihydroavermectin b1a", "Acarexx", "Bimectin", "Bovinet", "Cardomec", "Cardotek 30", "Cevamec", "Dihydroavermectin b1a", "Equimec", "Eqvalan", "Heartgard", "Hyvermectin", "Ivectin", "Ivermectin", "Ivermectin b1a", "Ivertin", "Ivomec", "Ivosint", "Jetamec", "Mectizan", "Noramectin", "Noromectin", "Oramec", "Pandex", "Phoenectin", "Uvemec", "Vermic", "Vetmec", "Zimecterin", "CD-5024", "CD5024", "L 640471", "L-640471", "MK 933", "MK-933", "NSC-755843", "Heartguard", "Ivermectin", "Sklice", "Soolantra", "Stromectol", "Ivermectin", "Ivermectin component of b1a", "Ivermectin"], "chembl_availability_type": "over the counter"}
{"name": "Glutamate-gated chloride channel", "synonym": ["Glutamate-gated chloride channel subunit beta"], "xref": ["CHEMBL.TARGET:CHEMBL2363050"], "id": "UniProtKB:P91730", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6289"]}
{"name": "Glutamate-gated chloride channel", "xref": ["CHEMBL.TARGET:CHEMBL2363051"], "id": "UniProtKB:Q25634", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6282"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1341", "category": ["biolink:ChemicalEntity"], "name": "METHOXYFLURANE", "xref": ["InChIKey:RFKMCNOHBTXSMU-UHFFFAOYSA-N", "SMILES:COC(F)(F)C(Cl)Cl"], "synonym": ["Methoxyflurane", "Methoxyflurane", "Methoxiflurane", "Methoxyflurane", "Metoxiflurano", "Methoxy flurane", "Methoxyflurane", "Analgizer", "Anecotan", "Inhalan", "Methoxiflurane", "Methoxyflurane", "Penthrox", "DA-759", "NSC-110432", "Metofane", "Penthrane", "Pentrane", "Methoxyflurane", "Methoxyflurane"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2363052", "category": ["biolink:MacromolecularComplex"], "name": "Glycine receptor (alpha-1/beta)"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200733", "category": ["biolink:ChemicalEntity"], "name": "DESFLURANE", "xref": ["InChIKey:DPYMFVXJLLWWEU-UHFFFAOYSA-N", "SMILES:FC(F)OC(F)C(F)(F)F"], "synonym": ["Desflurane", "Desflurane", "Desflurane", "Desflurano", "Desflurane", "Desflurane", "Desflurane", "I-653", "Suprane", "Desflurane", "Desflurane"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1257", "category": ["biolink:ChemicalEntity"], "name": "ENFLURANE", "xref": ["InChIKey:JPGQOUSTVILISH-UHFFFAOYSA-N", "SMILES:FC(F)OC(F)(F)C(F)Cl"], "synonym": ["Enflurane", "Enflurane", "Enflurane", "Enflurane", "Enflurano", "Enflurane", "Alyrane", "Compound 347", "Efrane", "Methylflurether", "Ohio 347", "ANESTHETIC COMPOUND NO. 347", "NSC-115944", "R-E-235CA2", "Enflurane", "Ethrane", "Enflurane", "Enflurane"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200694", "category": ["biolink:ChemicalEntity"], "name": "SEVOFLURANE", "xref": ["InChIKey:DFEYYRMXOJXZRJ-UHFFFAOYSA-N", "SMILES:FCOC(C(F)(F)F)C(F)(F)F"], "synonym": ["Sevoflurane", "Sevoflurane", "Sevoflurane", "Sevoflurane", "Sevoflurane", "Sevoflurane", "Sevoflurano", "Sevoflurane", "Sevoflurane", "Sevocalm", "Sevoflo", "Sevoflurane", "Sevorane", "MR-6S4", "MR6S4", "MR_6S4", "NSC-760367", "Sevoflo", "Sevoflurane", "Sevohale (previously known as sevocalm)", "Sojourn", "Ultane", "Sevoflurane", "Sevoflurane"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL931", "category": ["biolink:ChemicalEntity"], "name": "HALOTHANE", "xref": ["InChIKey:BCQZXOMGPXTTIC-UHFFFAOYSA-N", "SMILES:FC(F)(F)C(Cl)Br"], "synonym": ["Halothane", "Halothane", "Halothane", "Halothane", "Halotano", "Halothanum", "FREON 123B1", "NSC-143490", "Fluothane", "Halothane", "Rhidialothan"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1256", "category": ["biolink:ChemicalEntity"], "name": "ISOFLURANE", "xref": ["InChIKey:PIWKPBJCKXDKJR-UHFFFAOYSA-N", "SMILES:FC(F)OC(Cl)C(F)(F)F"], "synonym": ["Isoflurane", "Isoflurane", "Isoflurane", "Isoflurane", "Isoflurane", "Isoflurano", "Isoflurane", "Isoflurane", "Isoflurane", "COMPOUND 469", "COMPOUND-469", "Aerrane", "Forane", "Isoflurane", "Isoflurane", "Isoflurane"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1597", "category": ["biolink:ChemicalEntity"], "name": "DIMERCAPROL", "xref": ["InChIKey:WQABCVAJNWAXTE-UHFFFAOYSA-N", "SMILES:OCC(S)CS"], "synonym": ["Dimercaprol", "Dimercaprol", "Dimercaprol", "Dimercaprol", "1-propanol, 2,3-dimercapto", "2,3,-dimercapto-1-propanol", "2,3-dithiopropan-1-ol", "2,3-dithiopropanol", "Antoxol", "Dicaptol", "Dimercaprolum", "Dimersol", "Panobal", "Sulfactin", "NSC-39515", "NSC-4646", "Anti-lewisite", "B.a.l.", "Bal"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363053", "category": ["biolink:MolecularEntity"], "name": "Heavy metals"}
{"id": "CHEMBL.TARGET:CHEMBL2363054", "category": ["biolink:MolecularEntity"], "name": "Glycoproteins"}
{"id": "CHEMBL.TARGET:CHEMBL2363055", "category": ["biolink:MolecularEntity"], "name": "Hydroxyapatite"}
{"id": "CHEMBL.COMPOUND:CHEMBL497", "category": ["biolink:ChemicalEntity"], "name": "CLIOQUINOL", "xref": ["InChIKey:QCDFBFJGMNKBDO-UHFFFAOYSA-N", "SMILES:Oc1c(I)cc(Cl)c2cccnc12"], "synonym": ["Clioquinol", "Clioquinol", "Clioquinol", "Clioquinol", "Iodochlorhydroxyquin", "4-stearylamino-phenyl-trimethylam. metilsulf.", "Clioquinol", "Iodochlorhydroxyquinolone", "NSC-3531", "NSC-74938", "Clioquinol component of nystaform", "Oralcer", "Vioform"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2363056", "category": ["biolink:MolecularEntity"], "name": "Zinc"}
{"id": "CHEMBL.COMPOUND:CHEMBL1430", "category": ["biolink:ChemicalEntity"], "name": "PENICILLAMINE", "xref": ["InChIKey:VVNCNSJFMMFHPL-VKHMYHEASA-N", "SMILES:CC(C)(S)[C@@H](N)C(=O)O"], "synonym": ["Penicillamine", "Penicillamine", "Penicillamine", "Penicillamine", "Penicillamine", "Penicilamina", "Penicillamine", "Penicillamine", "D-3-mercaptovaline", "Dimethylcysteine", "Penicillamine", "NSC-758421", "NSC-81549", "Cuprimine", "D mercaptovaline", "D penicillamine", "Depen", "Distamine", "Trolovol", "Penicillamine", "Penicillamine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363057", "category": ["biolink:MolecularEntity"], "name": "Copper"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989777", "category": ["biolink:ChemicalEntity"], "name": "TRIENTINE HYDROCHLORIDE", "xref": ["InChIKey:WYHIICXRPHEJKI-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCNCCNCCN"], "synonym": ["Trientine dihydrochloride", "Trientine dihydrochloride", "Trientine dihydrochloride", "Trientine hydrochloride", "Trientine hydrochloride", "Trientine hydrochloride", "Trientine dihydrochloride", "Trientine dihydrochloride", "Trientine hcl", "Trientine hydrochloride", "MK-0681", "NSC-759164", "Cufence", "Metalite", "Syprine", "Trientine hydrochloride", "Trientine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL550348", "category": ["biolink:ChemicalEntity"], "name": "DEFERASIROX", "xref": ["InChIKey:BOFQWVMAQOTZIW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1"], "synonym": ["Deferasirox", "Deferasirox", "Deferasirox", "Deferasirox", "Deferasirox", "Deferasirox", "Deferasirox", "Deferasirox", "Osveral", "ICL-670", "ICL-670A", "ICL670", "ICL670A", "Deferasirox", "Deferasirox accord", "Deferasirox mylan", "Exjade", "Jadenu", "Jadenu sprinkle", "Deferasirox", "Deferasirox"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363058", "category": ["biolink:MolecularEntity"], "name": "Iron"}
{"id": "CHEMBL.COMPOUND:CHEMBL1234", "category": ["biolink:ChemicalEntity"], "name": "DEFEROXAMINE MESYLATE", "xref": ["InChIKey:IDDIJAWJANBQLJ-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O"], "synonym": ["Desferrioxamine mesilate", "Desferrioxamine mesilate", "Deferoxamine mesylate", "Deferoxamine mesilate", "Deferoxamine methanesulfonate", "Deferoxamine mesilate", "Deferoxamine mesylate", "Deferoxamini mesilas", "Desferrioxamine mesylate", "BA-33112", "NSC-756718", "Deferoxamine mesylate", "Desferal", "Deferoxamine mesylate", "Deferoxamine mesylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103743", "category": ["biolink:ChemicalEntity"], "name": "TOFACITINIB CITRATE", "xref": ["InChIKey:SYIKUFDOYJFGBQ-YLAFAASESA-N", "SMILES:C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Tofacitinib citrate", "Tofacitinib citrate", "Tofacitinib monocitrate", "Cp-690550 citrate", "Tasocitinib monocitrate", "Tofacitinib citrate", "CP-690,550-10", "CP-690550-10", "Xeljanz", "Xeljanz xr", "Tofacitinib citrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363062", "category": ["biolink:ProteinFamily"], "name": "Janus Kinase (JAK)"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200952", "category": ["biolink:ChemicalEntity"], "name": "METHAMPHETAMINE HYDROCHLORIDE", "xref": ["InChIKey:TWXDDNPPQUTEOV-FVGYRXGTSA-N", "SMILES:CN[C@@H](C)Cc1ccccc1.Cl"], "synonym": ["Methylamfetamine hydrochloride", "Methamphetamine hydrochloride", "Methamphetamine hydrochloride", "Metamfetamine hydrochloride", "Metamphetamine hydrocloride", "Methamphetamine hcl", "Methamphetamine hydrochloride", "NSC-169505", "Desoxyn", "Methampex", "Methamphetamine hydrochloride", "Methamphetamine hydrochloride cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363064", "category": ["biolink:ProteinFamily"], "name": "Monoamine transporter"}
{"id": "CHEMBL.COMPOUND:CHEMBL781", "category": ["biolink:ChemicalEntity"], "name": "MAZINDOL", "xref": ["InChIKey:ZPXSCAKFGYXMGA-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21"], "synonym": ["Mazindol", "Mazindol", "Mazindol", "Mazindol", "Mazindol", "Mazindol", "Mazindol", "Magrilon", "Mazildene", "Mazindol", "Terenac", "42-548", "AN-448", "SAH-42548", "Mazanor", "Sanorex", "Teronac", "Mazindol", "Mazindol", "Mazindol civ"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989830", "category": ["biolink:ChemicalEntity"], "name": "SIBUTRAMINE HYDROCHLORIDE", "xref": ["InChIKey:KFNNPQDSPLWLCX-UHFFFAOYSA-N", "SMILES:CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.O"], "synonym": ["Sibutramine hydrochloride", "Sibutramine hydrochloride hydrate", "Sibutramine hydrochloride monohydrate", "Sibutramine hcl", "Sibutramine hydrochloride", "Sibutramine hydrochloride hydrate", "Sibutramine hydrochloride monohydrate", "BTS 54524", "BTS-54524", "NSC-758928", "Meridia", "Sibutramine hydrochloride", "Sibutramine hydrochloride", "Sibutramine hydrochloride civ"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1703", "category": ["biolink:ChemicalEntity"], "name": "METFORMIN HYDROCHLORIDE", "xref": ["InChIKey:OETHQSJEHLVLGH-UHFFFAOYSA-N", "SMILES:CN(C)C(=N)NC(=N)N.Cl"], "synonym": ["Metformin hydrochloride", "Metformin hydrochloride", "Metformin hydrochloride", "Metformin hydrochloride", "Apophage", "Benofomin", "Diabefagos", "Diabex", "Glucaminol", "Metformin hcl", "Metformin hydrochloride", "Neodipa", "Siamformet", "Walaphage", "EX-404", "EX404", "LA-6023", "NSC-91485", "Bolamyn sr", "Diagemet xl", "Fortamet", "Glucamet 500", "Glucamet 850", "Glucient sr", "Glucophage", "Glucophage sr", "Glucophage xr", "Glumetza", "Glyformin", "Ledermetin", "Metabet sr", "Metformin hydrochloride", "Metformin hydrochloride component of actoplus met", "Metformin hydrochloride component of avandamet", "Metformin hydrochloride component of glucovance", "Metformin hydrochloride component of invokamet", "Metformin hydrochloride component of janumet", "Metformin hydrochloride component of jentadueto", "Metformin hydrochloride component of kazano", "Metformin hydrochloride component of kombiglyze xr", "Metformin hydrochloride component of metaglip", "Metformin hydrochloride component of prandimet", "Metformin hydrochloride component of qternmet", "Metformin hydrochloride component of qternmet xr", "Metformin hydrochloride component of segluromet", "Metformin hydrochloride component of synjardy", "Metformin hydrochloride component of trijardy xr", "Metformin hydrochloride component of xigduo", "Metformin hydrochloride component of zituvimet", "Metsol", "Milform", "Orabet", "Riomet", "Riomet er", "Sukkarto sr", "Metformin hydrochloride", "Metformin hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363065", "category": ["biolink:MacromolecularComplex"], "name": "Mitochondrial complex I (NADH dehydrogenase)"}
{"id": "CHEMBL.TARGET:CHEMBL2363066", "category": ["biolink:ProteinFamily"], "name": "3',5'-cyclic phosphodiesterase"}
{"id": "CHEMBL.TARGET:CHEMBL2363067", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 8"}
{"id": "CHEMBL.COMPOUND:CHEMBL548", "category": ["biolink:ChemicalEntity"], "name": "DINOPROSTONE", "xref": ["InChIKey:XEYBRNLFEZDVAW-ARSRFYASSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O"], "synonym": ["Dinoprostone", "Dinoprostone", "Dinoprostone", "Dinoprostone", "Dinoprostone", "Dinoprostona", "Dinoprostone", "Dinoprostone beta-cyclodextrin clathrate", "Prostaglandin e2", "Dinoprostone", "Enzaprost e", "Minprostin e2", "NSC-165560", "NSC-196514", "U-12,062", "U-12062", "Cervidil", "Prepidil", "Propess", "Prostin e2", "Dinoprostone", "Dinoprostone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363068", "category": ["biolink:ProteinFamily"], "name": "Prostaglandin E2 receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1657", "category": ["biolink:ChemicalEntity"], "name": "TAZAROTENE", "xref": ["InChIKey:OGQICQVSFDPSEI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1"], "synonym": ["Tazarotene", "Tazarotene", "Tazarotene", "Tazarotene", "Tazarotene", "Tazaroteno", "Tazarotene", "Tazarotene", "Idp-123", "Tazarotene", "AGN 190168", "AGN-190168", "AGN190168", "Arazlo", "Avage", "Fabior", "Tazarotene component of duobrii", "Tazarotene component of idp-118", "Tazorac", "Zorac", "Tazarotene"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL38", "category": ["biolink:ChemicalEntity"], "name": "TRETINOIN", "xref": ["InChIKey:SHGAZHPCJJPHSC-YCNIQYBTSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1"], "synonym": ["Tretinoin", "Tretinoin", "Tretinoin", "Tretinoin", "Tretinoin", "Tretinoine", "Tretinoina", "Tretinoin", "Retinoic acid", "Aberel", "All-trans retinoic acid", "All-trans-retinoic acid", "Eudyna", "Kerlocal", "Oristar rna", "Retin a", "Tretinoin", "NSC-122758", "Acticin", "Altreno", "Atralin", "Avita", "Renova", "Retin-a", "Retin-a micro", "Retin-a-micro", "Tretin-x", "Tretinoin", "Tretinoin component of solage", "Tretinoin component of tri-luma", "Tretinoin component of twyneo", "Tretinoin component of veltin", "Tretinoin component of ziana", "Vesanoid", "Tretinoin", "Tretinoin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1023", "category": ["biolink:ChemicalEntity"], "name": "BEXAROTENE", "xref": ["InChIKey:NAVMQTYZDKMPEU-UHFFFAOYSA-N", "SMILES:C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C"], "synonym": ["Bexarotene", "Bexarotene", "Bexarotene", "Bexarotene", "Bexarotene", "Bexarotene", "Bexaroteno", "Bexarotene", "Bexarotene", "Bexarotene", "LG-100069", "LG100069", "LGD-1069", "LGD1069", "NSC-747528", "Bexarotene", "Targretin", "Targretine", "Bexarotene"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363070", "category": ["biolink:ProteinFamily"], "name": "Retinoid X receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL705", "category": ["biolink:ChemicalEntity"], "name": "ALITRETINOIN", "xref": ["InChIKey:SHGAZHPCJJPHSC-ZVCIMWCZSA-N", "SMILES:CC1=C(/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O)C(C)(C)CCC1"], "synonym": ["Alitretinoin", "Alitretinoin", "Alitretinoin", "Alitretinoin", "Alitretinoin", "Alitretinoin", "Alitretinoine", "Alitretinoina", "Alitretinoin", "Retinoic acid 9-cis-form", "9-cis retinoic acid", "9-cis-retinoic acid", "Alitretinoin", "AGN 192013", "AGN-192013", "AGN192013", "ALRT-1057", "ALRT1057", "BAL-4079", "LG-100057", "LG100057", "LGD-1057", "LGD1057", "NSC-659772", "Panretin", "Toctino", "Alitretinoin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363071", "category": ["biolink:ProteinFamily"], "name": "Retinoid receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1131", "category": ["biolink:ChemicalEntity"], "name": "ACITRETIN", "xref": ["InChIKey:IHUNBGSDBOWDMA-AQFIFDHZSA-N", "SMILES:COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C"], "synonym": ["Acitretin", "Acitretin", "Acitretin", "Acitretin", "Acitretin", "Acitretine", "Acitretina", "Acitretin", "Acitretin", "Etretin", "RO 10-1670", "RO 10-1670/000", "RO-10-1670/000", "RO-101670000", "Ro-10-1670-000", "Acitretin", "Neotigason", "Soriatane", "Acitretin", "Acitretin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL464", "category": ["biolink:ChemicalEntity"], "name": "ETRETINATE", "xref": ["InChIKey:HQMNCQVAMBCHCO-DJRRULDNSA-N", "SMILES:CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C"], "synonym": ["Etretinate", "Etretinate", "Etretinate", "Etretinate", "Etretinate", "Etretinato", "Etretinate", "Acitretin related compound b", "Ethyl etrinoate", "NSC-297936", "RO 10-9359", "RO-10-9359", "RO-109359", "Tegison", "Tigason", "Etretinate", "Acitretin related compound b"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2363073", "category": ["biolink:NucleicAcidEntity"], "name": "RNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297065", "category": ["biolink:ChemicalEntity"], "name": "SPINOSAD", "xref": ["InChIKey:JFLRKDZMHNBDQS-UCQUSYKYSA-N", "SMILES:CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C(C)[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1.CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C=C[C@H]3C2CC(=O)O1"], "synonym": ["Spinosad", "Spinosad", "Spinosad", "Spinosyns spinosad", "Blackhawk", "Comfortis", "Extinosad", "Natrova", "Naturalyte", "Spinosad", "Spinosad (ema epar: veterinary)", "Spintor", "DE-105", "LY-232105", "PP-105", "XDE-105", "Comfortis", "Conserve", "Entrust", "Justice", "Natroba", "Spinosad component of trifexis", "Success", "Tracer", "Spinosad"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364023", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor"}
{"name": "Toll-like receptor 9", "xref": ["CHEMBL.TARGET:CHEMBL5804"], "id": "UniProtKB:Q9NR96", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614", "category": ["biolink:ChemicalEntity"], "name": "DESLANOSIDE", "xref": ["InChIKey:OBATZBGFDSVCJD-LALPQLPRSA-N", "SMILES:C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1"], "synonym": ["Deslanoside", "Deslanoside", "Deslanoside", "Deslanosido", "Deacetylanatoside c", "Cedilanid-d"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2095186", "category": ["biolink:MacromolecularComplex"], "name": "Sodium/potassium-transporting ATPase"}
{"id": "CHEMBL.COMPOUND:CHEMBL254219", "category": ["biolink:ChemicalEntity"], "name": "DIGITOXIN", "xref": ["InChIKey:WDJUZGPOPHTGOT-XUDUSOBPSA-N", "SMILES:C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O"], "synonym": ["Digitoxin", "Digitoxin", "Digitoxin", "Digitoxin", "Digitoxine", "Digitoxina", "Digitoxin", "Cristapurat", "Digitalin, crystalline", "Digitophyllin", "Digitoxin", "Digitoxinum", "Glucodigin", "Lanatoxin", "Purpurid", "Tradigal", "CRYSTODIGIN", "NSC-7529", "Crystodigin", "Digimerck", "Nativelle digitaline"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1751", "category": ["biolink:ChemicalEntity"], "name": "DIGOXIN", "xref": ["InChIKey:LTMHDMANZUZIPE-PUGKRICDSA-N", "SMILES:C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O"], "synonym": ["Digoxin", "Digoxin", "Digoxin", "Digoxin", "Digoxine", "Digoxina", "Digoxin", "Digoxin", "Digoxinum", "Dynamos", "Fargoxin", "Lanocardin", "Mapluxin", "Natigoxin", "Rougoxin", "Stillacor-", "Toloxin", "Vanoxin", "NSC-95100", "Digamex", "Digoxin", "Digoxin pediatric", "Lanoxicaps", "Lanoxin", "Lanoxin pediatric", "Lanoxin-125", "Lanoxin-pg"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545057", "category": ["biolink:ChemicalEntity"], "name": "ACETYLDIGITOXIN", "xref": ["InChIKey:HPMZBILYSWLILX-UMDUKNJSSA-N", "SMILES:CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O"], "synonym": ["Acetyldigitoxin", "Acetyldigitoxin", "Acetyldigitoxin", "Acetyldigitoxine", "Acetildigitoxina", "Acetyldigitoxins .alpha.-form", "Acetyldigitoxins .alpha.-form", "Acylanid"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2093872", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; anion channel"}
{"id": "CHEMBL.COMPOUND:CHEMBL407", "category": ["biolink:ChemicalEntity"], "name": "FLUMAZENIL", "xref": ["InChIKey:OFBIFZUFASYYRE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2"], "synonym": ["Flumazenil", "Flumazenil", "Flumazenil", "Flumazenil", "Flumazenil", "Flumazenil", "Flumazenil", "Flumazenil", "Flumazepil", "Lanexat", "Mazicon", "NSC-759193", "RO 15-1788/000", "RO-15-1788", "RO-15-1788/000", "RO-151788", "RO-151788000", "RO-1722", "RO-41-8157", "Anexate", "Flumazenil", "Romazicon", "Flumazenil", "Flumazenil"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2096631", "category": ["biolink:ChemicalEntity"], "name": "CLORAZEPATE DIPOTASSIUM", "xref": ["InChIKey:QCHSEDTUUKDTIG-UHFFFAOYSA-L", "SMILES:O=C([O-])C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O.[K+].[K+].[OH-]"], "synonym": ["Clorazepate dipotassium", "Clorazepate dipotassium", "Dipotassium clorazepate", "Clorazepate dipotassique", "Clorazepato de dipotasio", "Clorazepate dipotassium", "Clorazepic acid dipotassium salt", "Clorazepate dipotassium", "4306 CB", "4306-CB", "4306CB", "AB 35616", "ABBOTT-35616", "CB 4306", "CM 4306", "TR 19119", "Clorazepate dipotassium", "Gen-xene", "Tranxene", "Tranxene sd", "Clorazepate dipotassium", "Clorazepate dipotassium", "Clorazepate dipotassium civ"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL451", "category": ["biolink:ChemicalEntity"], "name": "CHLORDIAZEPOXIDE", "xref": ["InChIKey:ANTSCNMPPGJYLG-UHFFFAOYSA-N", "SMILES:CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1"], "synonym": ["Chlordiazepoxide", "Chlordiazepoxide", "Chlordiazepoxide", "Chlordiazepoxide", "Clordiazepoxido", "Chlordiazepoxide", "Chlordiazepoxide", "Chlordiazepoxide component of limbitrol", "Chlordiazepoxide component of limbitrol ds", "Chlordiazepoxide component of menrium", "Librelease", "Libritabs", "Sarlib", "Trakipeal", "Zeisin", "Chlordiazepoxide civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200703", "category": ["biolink:ChemicalEntity"], "name": "CHLORDIAZEPOXIDE HYDROCHLORIDE", "xref": ["InChIKey:DMLFJMQTNDSRFU-UHFFFAOYSA-N", "SMILES:CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1.Cl"], "synonym": ["Chlordiazepoxide hydrochloride", "Chlordiazepoxide hydrochloride", "Chlordiazepoxide hydrochloride", "Chlordiazepoxide hydrochloride", "Chlordiazepoxide hcl", "Clopoxide chloride", "NSC-115748", "RO 5-0690", "RO-5-0690", "A-poxide", "Chlordiazachel", "Chlordiazepoxide hydrochloride", "Chlordiazepoxide hydrochloride component of librax", "Librium", "Lygen", "Tropium", "Chlordiazepoxide hydrochloride", "Chlordiazepoxide hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL12", "category": ["biolink:ChemicalEntity"], "name": "DIAZEPAM", "xref": ["InChIKey:AAOVKJBEBIDNHE-UHFFFAOYSA-N", "SMILES:CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21"], "synonym": ["Diazepam", "Diazepam", "Diazepam", "Diazepam", "Diazepam", "Diazepam", "Diazepam", "Ansiolisina", "Centrazepam", "Diacepin", "Diazepam", "Libervant", "Nrl-1", "Servizepam", "Tranquase", "LA III", "LA-III", "NRL-1", "NSC-169897", "NSC-77518", "RO 5-2807", "RO-5-2807", "RO-52807", "WY-3467", "Alupram 10", "Alupram 2", "Alupram 5", "Apozepam", "Atensine", "Dialar", "Dialar fte", "Diastat", "Diastat acudial", "Diazepam", "Diazepam intensol", "Dizac", "E-pam", "Libervant", "Paxel", "Q-pam", "Relanium", "Scriptopam", "Serenack", "Solis", "Stesolid", "Tensium", "Tranimul", "Valclair", "Valium", "Valrelease", "Valtoco", "Vivol", "Diazepam", "Diazepam", "Diazepam civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1522", "category": ["biolink:ChemicalEntity"], "name": "ESZOPICLONE", "xref": ["InChIKey:GBBSUAFBMRNDJC-INIZCTEOSA-N", "SMILES:CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1"], "synonym": ["Eszopiclone", "Eszopiclone", "Eszopiclone", "Eszopiclona", "Eszopiclone", "Zopiclone s-form", "Estorra", "Eszopiclon", "Eszopiclone", "(S)-ZOPICLONE", "GSK-1755165", "Eszopiclone", "Lunesta", "Eszopiclone", "Eszopiclone", "Eszopiclone civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL568", "category": ["biolink:ChemicalEntity"], "name": "OXAZEPAM", "xref": ["InChIKey:ADIMAYPTOBDMTL-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O"], "synonym": ["Oxazepam", "Oxazepam", "Oxazepam", "Oxazepam", "Oxazepam", "Oxazepam", "Oxazepam", "Oxazepam", "Oxozepam", "J3.308A", "NSC-169448", "WY-3498", "Lederpam", "Oxazepam", "Serax", "Serenid fte", "Zaxopam", "Oxazepam", "Oxazepam", "Oxazepam civ", "Temazepam impurity, oxazepam-"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL979", "category": ["biolink:ChemicalEntity"], "name": "MEPROBAMATE", "xref": ["InChIKey:NPPQSCRMBWNHMW-UHFFFAOYSA-N", "SMILES:CCCC(C)(COC(N)=O)COC(N)=O"], "synonym": ["Meprobamate", "Meprobamate", "Meprobamate", "Meprobamate", "Meprobamato", "Meprobamate", "Meprobamate civ", "NSC-30418", "Amosene", "Bamate", "Equanil", "Mepriam", "Meprobamate", "Meprobamate component of equagesic", "Meprobamate component of mepro-aspirin", "Meprobamate component of micrainin", "Meprobamate component of q-gesic", "Meprospan", "Miltown", "Neuramate", "Tenavoid", "Tranmep"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL70418", "category": ["biolink:ChemicalEntity"], "name": "CLOBAZAM", "xref": ["InChIKey:CXOXHMZGEKVPMT-UHFFFAOYSA-N", "SMILES:CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21"], "synonym": ["Clobazam", "Clobazam", "Clobazam", "Clobazam", "Clobazam", "Clobazam", "Clobazam", "Clobazam", "Colbazam", "Mystan", "Urbadan", "H 4723", "H-4723", "HR 376", "HR-376", "LM 2717", "LM-2717", "NSC-336279", "Frisium", "Onfi", "Perizam", "Sympazan", "Tapclob", "Urbanyl", "Clobazam"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL661", "category": ["biolink:ChemicalEntity"], "name": "ALPRAZOLAM", "xref": ["InChIKey:VREFGVBLTWBCJP-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2"], "synonym": ["Alprazolam", "Alprazolam", "Alprazolam", "Alprazolam", "Alprazolam", "Alprazolam", "Alprazolam", "Alprazolam", "NSC-760140", "U 31,889", "U-31,889", "U-31889", "Alprazolam", "Niravam", "Xanax", "Xanax xr", "Alprazolam", "Alprazolam", "Alprazolam civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL646", "category": ["biolink:ChemicalEntity"], "name": "TRIAZOLAM", "xref": ["InChIKey:JOFWLTCLBGQGBO-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2"], "synonym": ["Triazolam", "Triazolam", "Triazolam", "Triazolam", "Triazolam", "Triazolam", "Triazolam", "Triazolam", "N05CD05", "U-33,030", "U-33030", "Halcion", "Kention", "Triazolam", "Triazolam", "Triazolam", "Triazolam civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL454", "category": ["biolink:ChemicalEntity"], "name": "BUTALBITAL", "xref": ["InChIKey:UZVHFVZFNXBMQJ-UHFFFAOYSA-N", "SMILES:C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O"], "synonym": ["Butalbital", "Butalbital", "Butalbital", "Alisobumal", "Allylbarbituric acid", "Butalbital", "Itobarbital", "Tetrallobarbital", "Butalbital component of anoquan", "Butalbital component of axotal", "Butalbital component of bancap", "Butalbital component of bucet", "Butalbital component of butapap", "Butalbital component of esgic", "Butalbital component of femcet", "Butalbital component of fioricet", "Butalbital component of fiorinal", "Butalbital component of lanorinal", "Butalbital component of phrenilin", "Butalbital component of sedapap", "Butalbital component of tencon", "Butalbital component of triad", "Butalbital component of triaprin", "Sandoptal", "Butalbital", "Butalbital", "Butalbital ciii"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL452", "category": ["biolink:ChemicalEntity"], "name": "CLONAZEPAM", "xref": ["InChIKey:DGBIGWXXNGSACT-UHFFFAOYSA-N", "SMILES:O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1"], "synonym": ["Clonazepam", "Clonazepam", "Clonazepam", "Clonazepam", "Clonazepam", "Clonazepam", "Clonazepam", "Clonazepam", "Ravotril", "Rivatril", "NSC-179913", "RO 5-4023", "RO-5-4023", "RO-54023", "Clonazepam", "Klonopin", "Klonopin rapidly disintegrating", "Rivotril", "Clonazepam", "Clonazepam", "Clonazepam civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL285674", "category": ["biolink:ChemicalEntity"], "name": "ESTAZOLAM", "xref": ["InChIKey:CDCHDCWJMGXXRH-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2"], "synonym": ["Estazolam", "Estazolam", "Estazolam", "Estazolam", "Estazolam", "Estazolam", "ABBOTT-47631", "NSC-290818", "Estazolam", "Eurodin", "Prosom", "Estazolam", "Estazolam", "Estazolam civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200802", "category": ["biolink:ChemicalEntity"], "name": "TALBUTAL", "xref": ["InChIKey:BJVVMKUXKQHWJK-UHFFFAOYSA-N", "SMILES:C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O"], "synonym": ["Talbutal", "Talbutal", "Talbutal", "Lotusate"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200982", "category": ["biolink:ChemicalEntity"], "name": "BUTABARBITAL SODIUM", "xref": ["InChIKey:QORQZMBCPRBCAB-UHFFFAOYSA-M", "SMILES:CCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]"], "synonym": ["Butabarbital sodium", "Butabarbital sodium salt", "Astrudion", "Butabarbital sodium salt", "Loubarb", "Mebutal", "Secbutabarbital sodium", "NSC-11778", "Butabarb", "Butabarbital sodium", "Butalan", "Buticaps", "Butisol sodium", "Sarisol", "Sarisol no. 1", "Sarisol no. 2", "Sodium butabarbital"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1102", "category": ["biolink:ChemicalEntity"], "name": "GLUTETHIMIDE", "xref": ["InChIKey:JMBQKKAJIKAWKF-UHFFFAOYSA-N", "SMILES:CCC1(c2ccccc2)CCC(=O)NC1=O"], "synonym": ["Glutethimide", "Glutethimide", "Glutethimide", "Glutetimida", "Elrodorm", "Noxyron", "Rigenox", "Sarodormin", "NSC-95239", "Doriden", "Glutethimide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL580", "category": ["biolink:ChemicalEntity"], "name": "LORAZEPAM", "xref": ["InChIKey:DIWRORZWFLOCLC-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O"], "synonym": ["Lorazepam", "Lorazepam", "Lorazepam", "Lorazepam", "Lorazepam", "Lorazepam", "Lorazepam", "Lorazepam", "NSC-289758", "WY-4036", "Abbloraz", "Ativan", "Loraz", "Lorazepam", "Lorazepam intensol", "Lorazepam preservative free", "Loreev xr", "Temesta", "Lorazepam", "Lorazepam", "Lorazepam civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL591", "category": ["biolink:ChemicalEntity"], "name": "ETHCHLORVYNOL", "xref": ["InChIKey:ZEHYJZXQEQOSON-AATRIKPKSA-N", "SMILES:C#CC(O)(/C=C/Cl)CC"], "synonym": ["Ethchlorvynol", "Ethchlorvynol", "Ethchlorvynol", "Etclorvinol", "Alvinol", "Arvynol", "Ethchlorvynol civ", "Normoson", "Nostel", "Roeridorm", "Serenesil", "Serensil", "NSC-30372", "Ethchlorvynol", "Placidyl"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL450", "category": ["biolink:ChemicalEntity"], "name": "METHARBITAL", "xref": ["InChIKey:FWJKNZONDWOGMI-UHFFFAOYSA-N", "SMILES:CCC1(CC)C(=O)NC(=O)N(C)C1=O"], "synonym": ["Metharbital", "Metharbital", "Metharbital", "Metarbital", "Metharbital ciii", "Metharbitone", "NSC-27156", "Gemonil"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL30219", "category": ["biolink:ChemicalEntity"], "name": "METHOHEXITAL SODIUM", "xref": ["InChIKey:KDXZREBVGAGZHS-UHFFFAOYSA-M", "SMILES:C=CCC1(C(C)C#CCC)C(=O)N=C([O-])N(C)C1=O.[Na+]"], "synonym": ["Methohexital sodium", "Methohexital sodium", "Methohexital sodium salt", "Methohexital sodium", "Sodium methohexital", "Brevimytal", "Brevital sodium", "Brietal sod"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200790", "category": ["biolink:ChemicalEntity"], "name": "METHYPRYLON", "xref": ["InChIKey:SIDLZWOQUZRBRU-UHFFFAOYSA-N", "SMILES:CCC1(CC)C(=O)NCC(C)C1=O"], "synonym": ["Methyprylon", "Methyprylon", "Methyprylon", "Methyprylon", "Methyprylone", "Metiprilon", "NSC-30442", "Noludar"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200420", "category": ["biolink:ChemicalEntity"], "name": "MIDAZOLAM HYDROCHLORIDE", "xref": ["InChIKey:PLYSCVSCYOQVRP-UHFFFAOYSA-N", "SMILES:Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cl"], "synonym": ["Midazolam hydrochloride", "Midazolam hydrochloride", "Midazolam hydrochloride", "Midazolam hydrochloride", "Midazolam hcl", "Midazolam hydrochloride", "NSC-751451", "RO 21-3981/003", "RO-21-3981/003", "RO-213981001", "Ro-21-3981-003", "SHP-615", "SHP615", "Buccolam", "Hypnovel", "Midazolam hydrochloride", "Midazolam hydrochloride (autoinjector)", "Midazolam hydrochloride preservative free", "Midozalam hydrochloride", "Seizalam", "Versed", "Midazolam hydrochloride", "Midazolam hydrochloride civ"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL969", "category": ["biolink:ChemicalEntity"], "name": "PRAZEPAM", "xref": ["InChIKey:MWQCHHACWWAQLJ-UHFFFAOYSA-N", "SMILES:O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1"], "synonym": ["Prazepam", "Prazepam", "Prazepam", "Prazepam", "Prazepam", "Prazepam", "Prazepam civ", "NSC-277179", "W 4020", "W-4020", "Centrax", "Demetrin", "Prazepam", "Prazepam", "Prazepam"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL856", "category": ["biolink:ChemicalEntity"], "name": "PRIMIDONE", "xref": ["InChIKey:DQMZLTXERSFNPB-UHFFFAOYSA-N", "SMILES:CCC1(c2ccccc2)C(=O)NCNC1=O"], "synonym": ["Primidone", "Primidone", "Primidone", "Primidone", "Primidona", "Primidone", "Lepimidin", "Primaclone", "Primidone", "Resimatil", "NSC-41701", "Lepsiral", "Liskantin", "Mysoline", "Primidone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL526", "category": ["biolink:ChemicalEntity"], "name": "PROPOFOL", "xref": ["InChIKey:OLBCVFGFOZPWHH-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1O"], "synonym": ["Propofol", "Propofol", "Propofol", "Propofol", "Propofol", "Propofol", "Propofol", "Disoprofol", "Fresofol", "Lipuro", "Phenol, 2,6-bis(1-methylethyl)", "Propofol", "ICI 35,868", "ICI 35-868", "ICI-35868", "ICI35,868", "NSC-5105", "Diprivan", "Disoprivan", "Propofol", "Propofol component of ketafol", "Rapinovet", "Propofol", "Propofol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200472", "category": ["biolink:ChemicalEntity"], "name": "QUAZEPAM", "xref": ["InChIKey:IKMPWMZBZSAONZ-UHFFFAOYSA-N", "SMILES:Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21"], "synonym": ["Quazepam", "Quazepam", "Quazepam", "Quazepam", "Quazepam", "Quazepam", "Quazepam", "NSC-309702", "SCH 16134", "SCH-16134", "Doral", "Quazepam", "Quazepam", "Quazepam civ"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL448", "category": ["biolink:ChemicalEntity"], "name": "PENTOBARBITAL", "xref": ["InChIKey:WEXRUCMBJFQVBZ-UHFFFAOYSA-N", "SMILES:CCCC(C)C1(CC)C(=O)NC(=O)NC1=O"], "synonym": ["Pentobarbital", "Pentobarbital", "Pentobarbital", "Pentobarbital", "Pentobarbital", "Pentobarbitone", "NSC-28708", "Nembutal", "Pentobarbital cii"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL971", "category": ["biolink:ChemicalEntity"], "name": "PENTOBARBITAL SODIUM", "xref": ["InChIKey:QGMRQYFBGABWDR-UHFFFAOYSA-M", "SMILES:CCCC(C)C1(CC)C(=O)N=C([O-])NC1=O.[Na+]"], "synonym": ["Pentobarbital sodium", "Pentobarbital sodium", "Pentobarbital sodium salt", "Auropan", "Barpental", "Biosedan", "Diabutal", "Embutal", "Entobar", "Etaminal sodium", "Ethaminal sodium", "Euthanyl", "Euthatal", "Isobarb", "Mebubarbital sodium", "Mebumal sodium", "Napental", "Narcoren", "Pacifan", "Pental", "Pentobarbital sodium salt", "Pentobarbitone sodium", "Pentonal", "Pentone", "Praecicalm", "Rs-pentobarbital sodium", "Sagatal", "Sodium ethaminal", "Sodium nembutal", "Sodium pental", "Sodium pentobarbitone", "Sodium pentobarbiturate", "Sodium-pent", "Soluble pentobarbital", "Somnopentyl", "Somnotol", "Sopental", "Sotyl", "V-pento", "Vetbutal", "NSC-10816", "Euthanase", "Nembutal", "Nembutal sodium", "Pentobarbital sodium", "Sodium pentobarbital"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200903", "category": ["biolink:ChemicalEntity"], "name": "SECOBARBITAL SODIUM", "xref": ["InChIKey:AXXJTNXVUHVOJW-UHFFFAOYSA-M", "SMILES:C=CCC1(C(C)CCC)C(=O)[N-]C(=O)NC1=O.[Na+]"], "synonym": ["Secobarbital sodium", "Secobarbital sodium", "(rs)-secobarbital sodium", "Barbosec", "Evronal sodium", "Immenoctal", "Pramil", "Sebar", "Synate", "NSC-10818", "Secobarbital sodium", "Seconal sodium", "Seconesin", "Tuinal"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL967", "category": ["biolink:ChemicalEntity"], "name": "TEMAZEPAM", "xref": ["InChIKey:SEQDDYPDSLOBDC-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21"], "synonym": ["Temazepam", "Temazepam", "Temazepam", "Temazepam", "Temazepam", "Temazepam", "(rs)-temazepam", "Temazepam", "NSC-246303", "WY-3917", "Kentepam", "Normison", "Restoril", "Temaz", "Temazepam", "Temazepam", "Temazepam", "Temazepam civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201065", "category": ["biolink:ChemicalEntity"], "name": "THIAMYLAL SODIUM", "xref": ["InChIKey:LYZGJWXNOGIVQA-UHFFFAOYSA-M", "SMILES:C=CCC1(C(C)CCC)C(=O)[N-]C(=S)NC1=O.[Na+]"], "synonym": ["Thiamylal sodium", "Thiamylal sodium salt", "Sodium thiamylal", "Thiamylal sodium salt", "NSC-759558", "Surital"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL738", "category": ["biolink:ChemicalEntity"], "name": "THIOPENTAL SODIUM", "xref": ["InChIKey:AWLILQARPMWUHA-UHFFFAOYSA-M", "SMILES:CCCC(C)C1(CC)C(=O)[N-]C(=S)NC1=O.[Na+]"], "synonym": ["Thiopental sodium", "Thiopental sodium", "Thiopental sodium", "Thiopental sodique", "Tiopental de sodio", "Thiopental sodium", "Farmotal", "Hypnostan", "Leopental", "Nesdonal", "Penthiobarbital sodium", "Ravonal", "Sodium pentothal", "Sodium thiopental", "Thiopental sodium", "Thiopentalum natricum", "Thiopentobarbitone sodium", "Thiopentone", "Thiopentone sodium", "Trapanal", "NSC-759557", "Intraval sod", "Pentothal", "Thionembutal"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL681", "category": ["biolink:ChemicalEntity"], "name": "ETOMIDATE", "xref": ["InChIKey:NPUKDXXFDDZOKR-LLVKDONJSA-N", "SMILES:CCOC(=O)c1cncn1[C@H](C)c1ccccc1"], "synonym": ["Etomidate", "Etomidate", "Etomidate", "Etomidate", "Etomidate", "Etomidato", "Etomidate", "Etomidate", "Hypnomidate", "NSC-759160", "Amidate", "Etomidate", "Etomidate", "Etomidate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989724", "category": ["biolink:ChemicalEntity"], "name": "FLURAZEPAM HYDROCHLORIDE", "xref": ["InChIKey:ZIIJJOPLRSCQNX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21.Cl.Cl"], "synonym": ["Flurazepam hydrochloride", "Flurazepam hydrochloride", "Flurazepam", "Flurazepam hydrochloride", "Flurazepam dihydrochloride", "Flurazepam dihydrochloride", "Flurazepam hydrochloride civ", "NSC-78559", "RO 5-6901", "RO-5-6901", "Dalmane", "Flurazepam hydrochloride", "Flurazepam hydrochloride", "Flurazepam hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL970", "category": ["biolink:ChemicalEntity"], "name": "HALAZEPAM", "xref": ["InChIKey:WYCLKVQLVUQKNZ-UHFFFAOYSA-N", "SMILES:O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F"], "synonym": ["Halazepam", "Halazepam", "Halazepam", "Halazepam", "Halazepam civ", "SCH 12041", "SCH-12041", "Paxipam", "Halazepam", "Halazepam"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200789", "category": ["biolink:ChemicalEntity"], "name": "TRICLOFOS SODIUM", "xref": ["InChIKey:WFKJEZKHPGDCRK-UHFFFAOYSA-M", "SMILES:O=P([O-])(O)OCC(Cl)(Cl)Cl.[Na+]"], "synonym": ["Triclofos sodium", "Triclofos sodium", "Triclofos sodium", "Triclofos monosodium salt", "Trichloroethyl phosphate sodium", "Triclofos monosodium salt", "Tricloryl", "SCH 10159", "SCH-10159", "Triclos", "Triclofos sodium"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989820", "category": ["biolink:ChemicalEntity"], "name": "ZOLPIDEM TARTRATE", "xref": ["InChIKey:VXRDAMSNTXUHFX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Zolpidem tartrate", "Zolpidem tartrate", "Zolpidem tartrate", "Zolpidem l-(+)-hemitartrate", "Ivadal", "Myslee", "Niotal", "Stilnox", "Tovalt", "Zolpidem hemitartrate", "Zolpidem tartrate", "SL 80.0750-23N", "SL-80.0750", "SL-80.0750-23N", "Ambien", "Ambien cr", "Edluar", "Intermezzo", "Stilnoct", "Tovalt odt", "Zolpidem tartrate", "Zolpimist", "Zolpidem tartrate", "Zolpidem tartrate", "Zolpidem tartrate civ"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2111392", "category": ["biolink:MacromolecularComplex"], "name": "GABA A receptor alpha-1/beta-1/gamma-2"}
{"id": "CHEMBL.COMPOUND:CHEMBL1521", "category": ["biolink:ChemicalEntity"], "name": "ZALEPLON", "xref": ["InChIKey:HUNXMJYCHXQEGX-UHFFFAOYSA-N", "SMILES:CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1"], "synonym": ["Zaleplon", "Zaleplon", "Zaleplon", "Zaleplon", "Zaleplon", "Zaleplon", "Zaleplone", "Zaleplon", "Zaleplon", "Zaleplon", "Zerene", "CL 284,846", "CL-284846", "L-846", "L846", "LJC 10846", "LJC-10846", "LJC10846", "SKP-1041", "ZAL-846", "Sonata", "Zaleplon", "Zerene", "Zaleplon", "Zaleplon", "Zaleplon civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363074", "category": ["biolink:ProteinFamily"], "name": "SRC"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200969", "category": ["biolink:ChemicalEntity"], "name": "DUTASTERIDE", "xref": ["InChIKey:JWJOTENAMICLJG-QWBYCMEYSA-N", "SMILES:C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12"], "synonym": ["Dutasteride", "Dutasteride", "Dutasteride", "Dutasteride", "Dutasteride", "Dutasterida", "Dutasteride", "Dutasteride", "Avolve", "Duastride", "Dutasteride", "GG-745", "GI 198745", "GI-198745", "NSC-740477", "NSC-759880", "Avodart", "Dutasteride", "Dutasteride component of jalyn", "Dutasteride", "Dutasteride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363075", "category": ["biolink:ProteinFamily"], "name": "Steroid 5-alpha-reductase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201761", "category": ["biolink:ChemicalEntity"], "name": "BESIFLOXACIN HYDROCHLORIDE", "xref": ["InChIKey:PMQBICKXAAKXAY-HNCPQSOCSA-N", "SMILES:Cl.N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1"], "synonym": ["Besifloxacin hydrochloride", "Besifloxacin hydrochloride", "Besifloxacin (as hydrochloride)", "Besifloxacin hcl", "Besifloxacin hydrochloride", "BOL-303224-A", "SS-734", "SS734", "Besivance", "Besifloxacin hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363076", "category": ["biolink:MacromolecularComplex"], "name": "Topoisomerase IV"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200498", "category": ["biolink:ChemicalEntity"], "name": "ALATROFLOXACIN MESYLATE", "xref": ["InChIKey:CYETUYYEVKNSHZ-LGOOQLFJSA-N", "SMILES:CS(=O)(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21"], "synonym": ["Alatrofloxacin mesilate", "Alatrofloxacin mesylate", "Alatrofloxacin mesylate", "Alatrofloxacin mesilate", "Alatrofloxacin mesylate", "517-27", "CP-116", "CP-116,517 -27", "CP-116,517-27", "CP-116517-27", "CP-11651727", "Trovan iv", "Trovan preservative free", "Turvel iv", "Alatrofloxacin mesylate"], "chembl_prodrug": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200735", "category": ["biolink:ChemicalEntity"], "name": "MOXIFLOXACIN HYDROCHLORIDE", "xref": ["InChIKey:IDIIJJHBXUESQI-DFIJPDEKSA-N", "SMILES:COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl"], "synonym": ["Moxifloxacin hydrochloride", "Moxifloxacin hydrochloride", "Moxifloxacin hydrochloride", "Moxifloxacin hydrochloride", "Moxifloxacin (as hydrochloride)", "Moxifloxacin hcl", "Moxifloxacin hydrochloride", "AL-15469A", "BAY 12-8039", "BAY-12-8039", "NSC-758875", "Avelox", "Minims", "Moxeza", "Moxifloxacin hydrochloride", "Moxivig", "Vigamox", "Moxifloxacin hydrochloride", "Moxifloxacin hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL9", "category": ["biolink:ChemicalEntity"], "name": "NORFLOXACIN", "xref": ["InChIKey:OGJPXUAPXNRGGI-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21"], "synonym": ["Norfloxacin", "Norfloxacin", "Norfloxacin", "Norfloxacin", "Norfloxacin", "Norfloxacine", "Norfloxacino", "Norfloxacin", "Norfloxacin", "Norfloxacin", "MK-366", "NSC-757250", "Baccidal", "Chibroxin", "Noroxin", "Quinabic", "Utinor", "Norfloxacin", "Norfloxacin"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL850", "category": ["biolink:ChemicalEntity"], "name": "SPARFLOXACIN", "xref": ["InChIKey:DZZWHBIBMUVIIW-DTORHVGOSA-N", "SMILES:C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1"], "synonym": ["Sparfloxacin", "Sparfloxacin", "Sparfloxacin", "Sparfloxacin", "Sparfloxacine", "Esparfloxacino", "Sparfloxacin", "Sparfloxacin", "Sparfloxacin", "AT-4140", "CI-978", "NSC-759641", "Spara", "Zagam", "Sparfloxacin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200779", "category": ["biolink:ChemicalEntity"], "name": "TROVAFLOXACIN MESYLATE", "xref": ["InChIKey:DYNZICQDCVYXFW-AHZSKCOESA-N", "SMILES:CS(=O)(=O)O.N[C@@H]1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]12"], "synonym": ["Trovafloxacin mesylate", "Trovafloxacin methanesulfonate", "Trovafloxacin mesilate", "Trovafloxacin mesylate", "Trovafloxacin methanesulfonate", "CP-99,219-27", "CP-99219-27", "Trovan mesylate", "Trovafloxacin mesylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL826", "category": ["biolink:ChemicalEntity"], "name": "ENOXACIN", "xref": ["InChIKey:IDYZIJYBMGIQMJ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21"], "synonym": ["Enoxacin", "Enoxacin", "Enoxacin", "Enoxacin", "Enoxacin", "Enoxacine", "Enoxacino", "Enoxacin", "Enoxacin", "Enoxacin", "AT-2266", "CI-919", "NSC-629661", "NSC-758416", "PD 107779", "PD-107779", "Comprecin", "Flumark", "Penetrex", "Enoxacin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2363077", "category": ["biolink:MacromolecularComplex"], "name": "Topoisomerase IV"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200556", "category": ["biolink:ChemicalEntity"], "name": "DESMOPRESSIN ACETATE", "xref": ["InChIKey:MLSVJHOYXJGGTR-IFHOVBQLSA-N", "SMILES:CC(=O)O.N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"], "synonym": ["Desmopressin acetate", "Desmopressin acetate", "Desmopressin acetate", "Desmopressin acetate hydrate", "Desmopressin acetate", "Anhydrous desmopressin acetate", "Desmopressin acetate", "Desmopressin acetate anhydrous", "Desmopressin acetate hydrate", "Desmopressin acetate trihydrate", "Concentraid", "Ddavp", "Ddavp (needs no refrigeration)", "Desmomelt", "Desmopressin acetate", "Desmopressin acetate (needs no refrigeration)", "Desmopressin acetate preservative free", "Desmospray", "Desmotabs", "Minirin", "Nocdurna", "Noctiva", "Nocutil", "Noqdirna", "Octim", "Octostim", "Presinex", "Stimate", "Stimate (needs no refrigeration)", "Desmopressin acetate", "Desmopressin acetate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363078", "category": ["biolink:ProteinFamily"], "name": "Vasopressin receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200690", "category": ["biolink:ChemicalEntity"], "name": "LYPRESSIN", "xref": ["InChIKey:BJFIDCADFRDPIO-DZCXQCEKSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"], "synonym": ["Lypressin", "Lypressin", "Lypressin", "Lypressin", "Lypressin", "Lypressine", "Lipresina", "8-l-lysinevasopressin", "Lypressin", "Lysine vasopressin", "Vasopressin pig", "Vasopressin, 8-l-lysine", "L-8", "Diapid", "Lypressin", "Lypressin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL437", "category": ["biolink:ChemicalEntity"], "name": "SULFATHIAZOLE", "xref": ["InChIKey:JNMRHUJNCSQMMB-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)Nc2nccs2)cc1"], "synonym": ["Sulfathiazole", "Sulfathiazole", "Sulfathiazole (triple sulfa)", "Triple sulfa (sulfathiazole)", "Sulfathiazole", "Sulfathiazol", "Sulfatiazol", "Triple sulfa (sulfathiazole)", "NSC-31812", "NSC-683531", "Sulfathiazole (triple sulfa) component of sultrin", "Sulfathiazole component of gyne-sulf", "Sulfathiazole component of sultrin", "Sulfathiazole component of trysul", "Sulfathiazole component of vagilia", "Thiazamide"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Dihydropteroate synthase", "xref": ["CHEMBL.TARGET:CHEMBL2364668"], "id": "UniProtKB:P0AC13", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1382627", "category": ["biolink:ChemicalEntity"], "name": "SULFADIAZINE, SILVER", "xref": ["InChIKey:UEJSSZHHYBHCEL-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]"], "synonym": ["Silver sulfadiazine", "Silver sulfadiazine", "Silver sulfadiazine", "Sulfadiazine silver", "Sulfadiazine silver salt", "Altreet-ag", "Dermazin", "Silvazine", "Silver sulphadiazine", "Sulfadiazine silver", "Sulfadiazine, silver", "Sulfadiazinum argentum", "Flamazine", "Flammacerium", "Sildaflo", "Silvadene", "Ssd af", "Thermazene", "Sulfadiazine, silver", "Silver sulfadiazine", "Sulfadiazine, silver"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL446", "category": ["biolink:ChemicalEntity"], "name": "SULFAMETHAZINE", "xref": ["InChIKey:ASWVTGNCAZCNNR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1"], "synonym": ["Sulfadimidine", "Sulfadimidine", "Sulfamethazine", "Sulfamethazine (trisulfapyrimidines)", "Trisulfapyrimidines (sulfamethazine)", "Sulfadimidine", "Sulfadimidina", "Sulfadimerazine", "Sulfadimethylpyrimidine", "Sulfadimidinum", "Sulfamezathine", "Sulfamidine", "Sulphadimidine", "BN-2409", "NSC-67457", "NSC-683529", "Smz-med 454", "Sulfamethazine (trisulfapyrimidines) component of neotrizine", "Sulfamethazine (trisulfapyrimidines) component of terfonyl", "Sulfamethazine component of lantrisul", "Sulfamethazine component of neotrizine", "Sulfamethazine component of sulfaloid", "Sulfamethazine component of sulfose", "Sulfamethazine component of terfonyl", "Sulfamethazine component of triple sulfoid", "Sulfamezathine ('s-mez')"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL21", "category": ["biolink:ChemicalEntity"], "name": "SULFANILAMIDE", "xref": ["InChIKey:FDDDEECHVMSUSB-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(N)(=O)=O)cc1"], "synonym": ["Sulfanilamide", "Sulfanilamide", "Sulfanilamide", "Sulfanilamida", "Aniline-p-sulfonic amide", "P-aminobenzenesulfamide", "P-aminobenzenesulfonamide", "Prontosil i", "Prontylin", "Streptocid", "Sulfamine", "Sulfonamide", "Sulphanilamidum", "NSC-7618", "Avc", "Sulfanilamide"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1525826", "category": ["biolink:ChemicalEntity"], "name": "SULFALENE", "xref": ["InChIKey:KXRZBTAEDBELFD-UHFFFAOYSA-N", "SMILES:COc1nccnc1NS(=O)(=O)c1ccc(N)cc1"], "synonym": ["Sulfalene", "Sulfametopyrazine", "Sulfametopyrazine", "Sulfametopyrazine", "Sulfalene", "Sulfaleno", "Sulfamethopyrazine", "Sulfalene", "Sulfalene", "Sulfamethopyrazine", "Sulfamethoxypyrazine", "AS-18908", "NSC-110433", "Kelfizine w", "Longum", "Sulfalene"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1201161", "category": ["biolink:ChemicalEntity"], "name": "MAFENIDE ACETATE", "xref": ["InChIKey:UILOTUUZKGTYFQ-UHFFFAOYSA-N", "SMILES:CC(=O)O.NCc1ccc(S(N)(=O)=O)cc1"], "synonym": ["Mafenide acetate", "Mafenide acetate", "Mafenide acetate", "Mafenide acetate", "Sulfamylon"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200910", "category": ["biolink:ChemicalEntity"], "name": "SULFISOXAZOLE ACETYL", "xref": ["InChIKey:JFNWFXVFBDDWCX-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1"], "synonym": ["Sulfisoxazole acetyl", "Acetyl sulfisoxazole", "Acetyl sulfafurazole", "Acetyl sulfisoxazole", "Acetylsulfafurazole", "Acetylsulfisoxazole", "Sulfafurazole acetyl", "Sulfisoxizole acetyl", "NSC-759138", "Gantrisin", "Gantrisin pediatric", "Lipo gantrisin", "Sulfisoxazole acetyl component of eryzole", "Sulfisoxazole acetyl component of ilosone sulfa", "Sulfisoxazole acetyl component of pediazole"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1723241", "category": ["biolink:ChemicalEntity"], "name": "SULFACETAMIDE SODIUM", "xref": ["InChIKey:IHCDKJZZFOUARO-UHFFFAOYSA-M", "SMILES:CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.O.[Na+]"], "synonym": ["Sulfacetamide sodium", "Sulfacetamide sodium", "Sulfacetamide sodium salt", "Sulfacetamide sodium salt monohydrate", "Flammazine", "Sodium sulfacetamide, anhydrous", "Sulfacetamide sodium", "Sulfacetamide sodium anhydrous", "Sulfacetamidum natricum", "Sulphacetamide sodium", "NSC-625324", "Albucid", "Bleph", "Bleph-10", "Bleph-30", "Cetamide", "Isopto cetamide", "Klaron", "Novacet", "Ocusol", "Ocusulf", "Ocusulf-10", "Ocusulf-30", "Sodium sulamyd", "Sodium sulfacetamide", "Sulf-10", "Sulf-15", "Sulfacel", "Sulfacel-15", "Sulfacetamide sodium", "Sulfacetamide sodium component of blephamide", "Sulfacetamide sodium component of blephamide s.o.p.", "Sulfacetamide sodium component of cetapred", "Sulfacetamide sodium component of fml-s", "Sulfacetamide sodium component of isopto cetapred", "Sulfacetamide sodium component of metimyd", "Sulfacetamide sodium component of predamide", "Sulfacetamide sodium component of predsulfair", "Sulfacetamide sodium component of sulphrin", "Sulfacetamide sodium component of sulster", "Sulfacetamide sodium component of vasocidin", "Sulfair 10", "Sulfair forte", "Sulfair-15", "Sulten-10"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL443", "category": ["biolink:ChemicalEntity"], "name": "SULFAMETHOXAZOLE", "xref": ["InChIKey:JLKIGFTWXXRPMT-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1"], "synonym": ["Sulfamethoxazole", "Sulfamethoxazole", "Sulfamethoxazole", "Sulfamethoxazole", "Sulfametoxazol", "Acetylsulfamethoxazole", "Sulfamethoxazole", "Sulfamethoxazole sodium", "Sulfamethoxazole", "Sulfamethoxazole", "Sulfamethoxazolum", "Sulphamethoxazole", "NSC-147832", "RO 4-2130", "RO-4-2130", "STX-608", "Gantanol", "Gantanol-ds", "Sinomin", "Sulfamethoxazole", "Sulfamethoxazole component of azo gantanol", "Sulfamethoxazole component of bactrim", "Sulfamethoxazole component of bactrim ds", "Sulfamethoxazole component of bactrim pediatric", "Sulfamethoxazole component of co-trimethoxazole", "Sulfamethoxazole component of cotrim", "Sulfamethoxazole component of cotrim d.s.", "Sulfamethoxazole component of septra", "Sulfamethoxazole component of sulfamethoprim", "Sulfamethoxazole component of sulfatrim", "Sulfamethoxazole component of sulmeprim", "Sulfamethoxazole component of uroplus", "Suphamethoxazole", "Urobak", "Sulfamethoxazole", "Sulfamethoxazole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200321", "category": ["biolink:ChemicalEntity"], "name": "SULFISOXAZOLE DIOLAMINE", "xref": ["InChIKey:FEPTXVIRMZIGFY-UHFFFAOYSA-N", "SMILES:Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.OCCNCCO"], "synonym": ["Sulfisoxazole diolamine", "Sulfisoxazole diethanolamine salt", "Sulfafurazole diethanolamine", "Sulfafurazole diolamine", "Sulfisoxazole diethanolamine salt", "Sulphafurazole diolamine", "NU-445", "Gantrisin", "Sulfisoxazole diolamine", "Sulfisoxazole diolamine", "Sulfisoxazole diolamine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1109", "category": ["biolink:ChemicalEntity"], "name": "SULFAPHENAZOLE", "xref": ["InChIKey:QWCJHSGMANYXCW-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1"], "synonym": ["Sulfafenazol", "Sulfaphenazole", "Sulfaphenazole", "Sulfaphenazole", "Sulfaphenazole", "Sulfaphenazol", "Sulfafenazol", "NSC-757859", "Orisulf", "Sulfabid"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200351", "category": ["biolink:ChemicalEntity"], "name": "SULFADIAZINE SODIUM", "xref": ["InChIKey:JLDCNMJPBBKAHH-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Na+]"], "synonym": ["Sulfadiazine sodium", "Sulfadiazine sodium", "Sulfadiazine sodique", "Sulfadiazina de sodio", "Sodium sulfadiazine", "NSC-117870", "Sulfadiazine sodium"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL438", "category": ["biolink:ChemicalEntity"], "name": "SULFAMERAZINE", "xref": ["InChIKey:QPPBRPIAZZHUNT-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1"], "synonym": ["Sulfamerazine", "Sulfamerazine", "Sulfamerazine (trisulfapyrimidines)", "Trisulfapyrimidines (sulfamerazine)", "Sulfamerazine", "Sulfamerazina", "Sulphamerazine", "NSC-27259", "Mesulfa", "Methypyrimal", "Sulfamerazine (trisulfapyrimidines) component of neotrizine", "Sulfamerazine (trisulfapyrimidines) component of terfonyl", "Sulfamerazine component of lantrisul", "Sulfamerazine component of neotrizine", "Sulfamerazine component of sulfaloid", "Sulfamerazine component of sulfonamides duplex", "Sulfamerazine component of sulfose", "Sulfamerazine component of terfonyl", "Sulfamerazine component of triple sulfoid", "Sulfamethyldiazine", "Sumedin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL453", "category": ["biolink:ChemicalEntity"], "name": "SULFISOXAZOLE", "xref": ["InChIKey:NHUHCSRWZMLRLA-UHFFFAOYSA-N", "SMILES:Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C"], "synonym": ["Sulfafurazole", "Sulphafurazole", "Sulfisoxazole", "Sulfafurazole", "Sulfafurazol", "Sulfafurazol", "Sulfisoxazole", "Eryzole", "Pediazole", "Sulfafurazole", "Sulfisoxazole", "NSC-13120", "NSC-683536", "Entusil", "Gantrisin", "Neazolin", "Sosol", "Soxazole", "Sulfalar", "Sulfisoxazole", "Sulfisoxazole component of azo gantrisin", "Sulsoxin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL700", "category": ["biolink:ChemicalEntity"], "name": "SULFAPYRIDINE", "xref": ["InChIKey:GECHUMIMRBOMGK-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1"], "synonym": ["Sulfapyridine", "Sulfapyridine", "Sulfapyridine", "Sulfapyridine", "Sulfapiridina", "NSC-41791", "NSC-4753", "Coccoclase", "Concord 693", "Dagenan", "Eubasin", "Piridazol", "Sulfanilamidopyridine", "Sulfapyridine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL439", "category": ["biolink:ChemicalEntity"], "name": "SULFADIAZINE", "xref": ["InChIKey:SEEPANYCNGTZFQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1"], "synonym": ["Sulfadiazine", "Sulfadiazine", "Sulfadiazine", "Sulfadiazine (trisulfapyrimidines)", "Trisulfapyrimidines (sulfadiazine)", "Sulfadiazine", "Sulfadiazina", "Sulfadiazine", "Sulfadiazine", "NSC-35600", "Coco-diazine", "Diazyl", "Sulfadiazine", "Sulfadiazine (trisulfapyrimidines) component of neotrizine", "Sulfadiazine (trisulfapyrimidines) component of terfonyl", "Sulfadiazine component of lantrisul", "Sulfadiazine component of neotrizine", "Sulfadiazine component of sulfaloid", "Sulfadiazine component of sulfonamides duplex", "Sulfadiazine component of sulfose", "Sulfadiazine component of terfonyl", "Sulfadiazine component of triple sulfoid", "Sulfolex"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200359", "category": ["biolink:ChemicalEntity"], "name": "SULFAMETER", "xref": ["InChIKey:GPTONYMQFTZPKC-UHFFFAOYSA-N", "SMILES:COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1"], "synonym": ["Sulfametoxydiazine", "Sulfametoxydiazine", "Sulfametoxydiazine", "Sulfameter", "Sulfametoxydiazine", "Sulfametoxidiazina", "Sulfameter", "Sulfamethoxydiazine", "Sulfamethoxypyrimidine", "Sulfametin", "Sulphamethoxydiazine", "Ultrax", "AHR-857", "BAY-5400", "NSC-683528", "NSC-757874", "SH-613", "Bayrena", "Sulla", "Sulfameter"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL455", "category": ["biolink:ChemicalEntity"], "name": "SULFACETAMIDE", "xref": ["InChIKey:SKIVFJLNDNKQPD-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(N)cc1"], "synonym": ["Sulfacetamide", "Sulfacetamide (triple sulfa)", "Triple sulfa (sulfacetamide)", "Sulfacetamide", "Sulfacetamida", "Sulfacetamide", "Fml-s", "Sulfacetamide", "Sulfacetamidum", "Sulster", "Triple sulfa (sulfacetamide)", "Urosulfon", "NSC-63871", "Sulfacetamide (triple sulfa) component of sultrin", "Sulfacetamide component of gyne-sulf", "Sulfacetamide component of sultrin", "Sulfacetamide component of trysul", "Sulfacetamide component of vagilia"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1191", "category": ["biolink:ChemicalEntity"], "name": "SULFAMETHIZOLE", "xref": ["InChIKey:VACCAVUAMIDAGB-UHFFFAOYSA-N", "SMILES:Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1"], "synonym": ["Sulfamethizole", "Sulfamethizole", "Sulfamethizole", "Sulfamethizole", "Sulfamethizol", "Sulfametizol", "Sulfamethizole", "Sulfamethizole", "NSC-757327", "Methazol", "Microsul", "Proklar", "Sulphamethylthiadiazole", "Tetracid", "Thiosulfil", "Urolucosil"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL22", "category": ["biolink:ChemicalEntity"], "name": "TRIMETHOPRIM", "xref": ["InChIKey:IEDVJHCEMCRBQM-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC"], "synonym": ["Trimethoprim", "Trimethoprim", "Trimethoprim", "Trimethoprim", "Trimethoprim", "Trimethoprime", "Trimetoprima", "Trimethoprim", "Trimethoprim", "Infectotrimet", "Trimethoprim", "Trimethoprimum", "Wellcoprim", "BW 56-72", "BW-56-72", "NIH-204", "NSC-106568", "TCMDC-125538", "Ipral", "Ledatrim", "Monotrim", "Proloprim", "Proloprin", "Syraprim", "Tiempe", "Trimethoprim", "Trimethoprim component of bactrim", "Trimethoprim component of bactrim ds", "Trimethoprim component of bactrim pediatric", "Trimethoprim component of co-trimoxazole", "Trimethoprim component of cotrim", "Trimethoprim component of cotrim d.s.", "Trimethoprim component of septra", "Trimethoprim component of sulfamethoprim", "Trimethoprim component of sulfatrim", "Trimethoprim component of sulmeprim", "Trimethoprim component of uroplus", "Trimogal", "Trimopan", "Trimpex", "Trimpex 200", "Triprimix 200", "Trimethoprim", "Trimethoprim"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Dihydrofolate reductase", "xref": ["CHEMBL.TARGET:CHEMBL2364669"], "id": "UniProtKB:P0ABQ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110367", "category": ["biolink:ChemicalEntity"], "name": "TRIMETHOPRIM SULFATE", "xref": ["InChIKey:UILMMYFRNCCPLK-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.O=S(=O)(O)O"], "synonym": ["Trimethoprim sulfate", "Trimethoprim sulfate", "Trimethoprim sulphate", "BW 72U", "BW-72U", "Trimethoprim sulfate component of polytrim", "Trimethoprim sulfate", "Trimethoprim sulfate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201080", "category": ["biolink:ChemicalEntity"], "name": "TRIMETHOPRIM HYDROCHLORIDE", "xref": ["InChIKey:YLCCEQZHUHUYPA-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cl"], "synonym": ["Trimethoprim hydrochloride", "Trimethoprim hcl", "Trimethoprim hydrochloride", "Primsol"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1003", "category": ["biolink:ChemicalEntity"], "name": "CLAVULANATE POTASSIUM", "xref": ["InChIKey:ABVRVIZBZKUTMK-JSYANWSFSA-M", "SMILES:O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[K+]"], "synonym": ["Clavulanate potassium", "Clavulanate potassium", "Potassium clavulanate", "Clavulanate potassium", "Potassium clavulanate", "BRL 14151K", "BRL-14151K", "Clavulanate potassium component of augmentin", "Clavulanate potassium component of clavulox", "Clavulanate potassium component of timentin", "Clavulanate potassium", "Clavulanate potassium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Beta-lactamase TEM", "xref": ["CHEMBL.TARGET:CHEMBL2364670"], "id": "UniProtKB:P62593", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1439", "category": ["biolink:ChemicalEntity"], "name": "TAZOBACTAM SODIUM", "xref": ["InChIKey:RFMIKMMOLPNEDG-QVUDESDKSA-M", "SMILES:C[C@]1(Cn2ccnn2)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O.[Na+]"], "synonym": ["Tazobactam sodium", "Tazobactam sodium salt", "Tazobactam (as sodium)", "Tazobactam sodium", "Tazobactum sodium", "CL 307,579", "CL-307579", "Tazobactam sodium component of zerbaxa", "Tazobactam sodium component of zosyn", "Tazocillin", "Tazobactam sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200944", "category": ["biolink:ChemicalEntity"], "name": "SULBACTAM SODIUM", "xref": ["InChIKey:NKZMPZCWBSWAOX-IBTYICNHSA-M", "SMILES:CC1(C)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O.[Na+]"], "synonym": ["Sulbactam sodium", "Sulbactam sodium", "Sulbactam sodium salt", "Sulbactam (as sodium)", "Sulbactam sodium", "CP-45,899-2", "CP-45899-2", "Sulbactam sodium component of sulperazone", "Sulbactam sodium component of unasyn", "Sulbactam sodium component of xacduro", "Sulbactam sodium", "Sulbactam sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Isoleucine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL2364671"], "id": "UniProtKB:Q99YW3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200424", "category": ["biolink:ChemicalEntity"], "name": "PENTETATE ZINC TRISODIUM", "xref": ["InChIKey:HVASDHJNLYRZEA-UHFFFAOYSA-I", "SMILES:O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Zn+2]"], "synonym": ["Pentetate zinc trisodium", "Pentetate zinc trisodium", "Kelazin", "Pentetate zinc trisodium", "Trisodium zinc dtpa", "Zinc trisodium pentetate", "Zinc-dtpa", "Pentetate zinc trisodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2366037", "category": ["biolink:MolecularEntity"], "name": "Radioactive metals"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200698", "category": ["biolink:ChemicalEntity"], "name": "PENTETATE CALCIUM TRISODIUM YB-169", "synonym": ["Pentetate calcium trisodium yb-169", "169yb", "Pentetate calcium trisodium yb 169", "Ytterbium yb-169 dtpa", "COMPOUND 24266", "COMPOUND-24266", "MATERIAL A", "MATERIAL-A", "MRP-10", "Ytterbium yb 169 dtpa", "Pentetate calcium trisodium yb 169"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200945", "category": ["biolink:ChemicalEntity"], "name": "PENTETATE CALCIUM TRISODIUM", "xref": ["InChIKey:AYFCVLSUPGCQKD-UHFFFAOYSA-I", "SMILES:O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+].[Na+]"], "synonym": ["Calcium trisodium pentetate", "Pentetate calcium trisodium", "Calcium trisodium pentetate", "Pentetate de calcium trisodique", "Pentetato calcio y trisodio", "Pentetate calcium trisodium", "Pentetate calcium trisodium", "Calcium trisodium dtpa", "Calcium trisodium pentetate", "Pentetate calcium trisodium", "NSC-34249", "Pentetate calcium trisodium", "Pentetate calcium trisodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201594", "category": ["biolink:ChemicalEntity"], "name": "RASBURICASE", "synonym": ["Rasburicase", "Urate oxidase", "Rasburicase", "Rasburicase", "Rasburicase", "Rasburicase", "Rasburicase", "Rasburicasa", "Rasburicase", "Rasburicase", "Rasburicase", "Rasuritek", "Urate oxidase", "SR-29142", "SR29142", "Elitek", "Fasturtec", "Rasburicase"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364183", "category": ["biolink:SmallMolecule"], "name": "Uric acid"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105745", "category": ["biolink:ChemicalEntity"], "name": "GLYCEROL PHENYLBUTYRATE", "xref": ["InChIKey:ZSDBFLMJVAGKOU-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1"], "synonym": ["Glycerol phenylbutyrate", "Glycerol phenylbutyrate", "Glycerol phenylbutyrate", "Glycerol phenylbutyrate", "Phenylbutyrate de glycerol", "Fenilbutirato de glicerol", "Glycerol phenylbutyrate", "Glycerol phenylbutyrate", "HPN-100", "HPN100", "Ravicti", "Glycerol phenylbutyrate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2366039", "category": ["biolink:SmallMolecule"], "name": "Glutamine"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201043", "category": ["biolink:ChemicalEntity"], "name": "CEPHAPIRIN SODIUM", "xref": ["InChIKey:VGEOUKPOQQEQSX-OALZAMAHSA-M", "SMILES:CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.[Na+]"], "synonym": ["Cephapirin sodium", "Cefapirin sodium", "Sodium cefapirin", "Cephapirin sodium salt", "Cefapirin sodium", "Cephapirin sodium", "Cephapirin sodium salt", "Sodium cefapirin", "BL-P 1322", "BL-P-1322", "NSC-179171", "Cefadyl", "Cephapirin sodium", "Cephapirin sodium", "Cephapirin sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2354204", "category": ["biolink:ProteinFamily"], "name": "Bacterial penicillin-binding protein"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200991", "category": ["biolink:ChemicalEntity"], "name": "CARBENICILLIN INDANYL SODIUM", "xref": ["InChIKey:QFWPXOXWAUAYAB-XZVIDJSISA-M", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]"], "synonym": ["Carbenicillin indanyl sodium", "Carindacillin sodium", "Carindacillin sodium salt", "Carbenicillin indanyl sodium", "Carindacillin sodium", "CP-15,464-2", "CP-15464-2", "Geocillin", "Carbenicillin indanyl sodium", "Carbenicillin indanyl sodium"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1618", "category": ["biolink:ChemicalEntity"], "name": "CEFAMANDOLE NAFATE", "xref": ["InChIKey:ICZOIXFFVKYXOM-YCLOEFEOSA-M", "SMILES:Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1.[Na+]"], "synonym": ["Cefamandole nafate", "Cefamandole nafate", "Cefamandole nafate", "Cefamandole nafate", "Cefamandole nafate sodium", "Cephamandole nafate", "106223", "NSC-299588", "Mandol", "Cefamandole nafate", "Cefamandole nafate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201018", "category": ["biolink:ChemicalEntity"], "name": "CEFACLOR", "xref": ["InChIKey:WKJGTOYAEQDNIA-IOOZKYRYSA-N", "SMILES:N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1.O"], "synonym": ["Cefaclor", "Cefaclor", "Cefaclor", "Cefaclor", "Cefaclor", "Cefaclor", "Cefaclor", "Cefaclor monohydrate", "Cefaclor", "Cefaclor monohydrate", "COMPOUND 99638", "COMPOUND-99638", "J01DC04", "NSC-757422", "Bacticlor mr", "Ceclor", "Ceclor cd", "Cefaclor", "Distaclor", "Distaclor mr", "Keftid", "Raniclor", "Cefaclor", "Cefaclor"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1604", "category": ["biolink:ChemicalEntity"], "name": "CEPHRADINE", "xref": ["InChIKey:RDLPVSKMFDYCOR-UEKVPHQBSA-N", "SMILES:CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1"], "synonym": ["Cefradine", "Cefradine", "Cefradine", "Cephradine", "Cefradine", "Cefradina", "Cefradine", "Cefradine hydrate", "Cephradine", "Cephradine anhydrous", "Cephradine hydrate", "Cephradine, unspecified hydrate", "NSC-756672", "SK&F D-39304", "SK&F-D-39304", "SK-D-39304", "SQ 11436", "SQ 22022 [DIHYDRATE]", "SQ-11436", "SQ-22022", "Anspor", "Cephradine", "Ecosporina", "Nicef", "Velosef", "Velosef '125'", "Velosef '250'", "Velosef '500'", "Cephradine", "Cephradine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200855", "category": ["biolink:ChemicalEntity"], "name": "TICARCILLIN DISODIUM", "xref": ["InChIKey:ZBBCUBMBMZNEME-QBGWIPKPSA-L", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+]"], "synonym": ["Ticarcillin sodium", "Ticarcillin disodium", "Ticarcillin sodium", "Ticarcillin disodium salt", "Disodium ticarcillin", "Monapen", "Ticarcillin disodium", "Ticarpen", "Ticillin", "BRL 2288", "BRL-2288", "NSC-759166", "Ticar", "Ticarcillin disodium component of timentin", "Ticarcillin disodium", "Ticarcillin disodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2146124", "category": ["biolink:ChemicalEntity"], "name": "CEFUROXIME SODIUM", "xref": ["InChIKey:URDOHUPGIOGTKV-JTBFTWTJSA-M", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]12)c1ccco1.[Na+]"], "synonym": ["Cefuroxime sodium", "Cefuroxime", "Cefuroxime sodium", "Cefuroxime sodium salt", "Cefuroxime sodium", "Sodium cefuroxime", "Britacef", "Cefuroxime sodium", "Kefurox", "Zinacef"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL615", "category": ["biolink:ChemicalEntity"], "name": "PENICILLIN V", "xref": ["InChIKey:BPLBGHOLXOTWMN-MBNYWOFBSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O"], "synonym": ["Phenoxymethylpenicillin", "Phenoxymethylpenicillin", "Penicillin v", "Phenoxymethylpenicillin", "Phenoxymethylpenicilline", "Fenoximetilpenicilina", "Penicillin v", "Distaquaine v", "Penicillin phenoxymethyl", "Penicillin v", "Phenomycilline", "Phenoxymethylpenicillin", "Phenoxymethylpenicillinum", "Vebecillin", "V-cillin", "Penicillin v", "Penicillin v"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200852", "category": ["biolink:ChemicalEntity"], "name": "PENICILLIN V POTASSIUM", "xref": ["InChIKey:HCTVWSOKIJULET-LQDWTQKMSA-M", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]"], "synonym": ["Penicillin v potassium", "Phenoxymethylpenicillin potassium", "Antibiocin", "Penicillin potassium phenoxymethyl", "Penicillin v potassium", "Penicillin v potassium salt", "Penicillin vk", "Phenoxymethylpenicillin potassium", "Phenoxymethylpenicillinum kalicum", "Potassium penicillin v", "Primcillin", "Vamosyn", "NSC-757258", "Beepen vk", "Beepen-vk", "Betapen-vk", "Ledercillin vk", "Pen-vee k", "Penapar-vk", "Penicillin v potassium", "Penicillin-vk", "Pfizerpen vk", "Phenoxymethylpenicillin k", "Uticillin vk", "V-cillin k", "V-cillin-k", "Veetids", "Veetids '125'", "Veetids '250'", "Veetids '500'", "Penicillin v potassium", "Penicillin v potassium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL158", "category": ["biolink:ChemicalEntity"], "name": "AZTREONAM", "xref": ["InChIKey:WZPBZJONDBGPKJ-VEHQQRBSSA-N", "SMILES:C[C@H]1[C@H](NC(=O)/C(=N\\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O"], "synonym": ["Aztreonam", "Aztreonam", "Aztreonam", "Aztreonam", "Aztreonam", "Aztreonam", "Aztreonam", "Azonam", "Aztreon", "Aztreonam", "Nebactam", "Primbactam", "NSC-646279", "NSC-758913", "SO 26776", "SQ 26776", "SQ-26776", "Azactam", "Aztreonam", "Aztreonam", "Aztreonam"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1632", "category": ["biolink:ChemicalEntity"], "name": "CEPHALOTHIN SODIUM", "xref": ["InChIKey:VUFGUVLLDPOSBC-XRZFDKQNSA-M", "SMILES:CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+]"], "synonym": ["Cephalothin sodium", "Cefalotin sodium", "Cephalothin sodium salt", "Cefalotin sodium", "Cephalothin sodium", "Sodium cephalothin", "38253", "NSC-756667", "Averon", "Cephalothin sodium", "Keflin", "Seffin", "Synclotin", "Toricelocin", "Cephalothin sodium", "Cephalothin sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1095930", "category": ["biolink:ChemicalEntity"], "name": "CEFUROXIME AXETIL", "xref": ["InChIKey:KEJCWVGMRLCZQQ-YJBYXUATSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1"], "synonym": ["Cefuroxime axetil", "Cefuroxime axetil", "Cefuroxime axetil", "Cefuroxime axetil", "Cefuroxime 1-acetoxyethyl ester", "Cefurax", "Cefuroxime (as axetil)", "Cefuroxime axetil", "Cepazine", "Cetoxil", "Curocef", "Elobact", "Novador", "Novocef", "Oraxim", "Zinat", "CCI 15641", "CCI-15641", "NSC-758677", "Ceftin", "Cefuroxime axetil", "Zinnat", "Cefuroxime axetil", "Cefuroxime axetil"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200357", "category": ["biolink:ChemicalEntity"], "name": "MOXALACTAM DISODIUM", "xref": ["InChIKey:GRIXGZQULWMCLU-HUTAOCTPSA-L", "SMILES:CO[C@@]1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CO[C@@H]21.[Na+].[Na+]"], "synonym": ["Moxalactam disodium", "Latamoxef sodium", "Moxalactam disodium salt", "Disodium latamoxef", "Latamoxef disodium", "Latamoxef sodium", "Latamoxefum dinatricum", "Moxalactam disodium salt", "Shiomarin", "LY-127935", "LY127935", "NSC-757107", "Moxam", "Moxalactam disodium", "Moxalactam disodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200971", "category": ["biolink:ChemicalEntity"], "name": "CEPHALOGLYCIN", "xref": ["InChIKey:FUBBGQLTSCSAON-PBFPGSCMSA-N", "SMILES:CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1"], "synonym": ["Cefaloglycin", "Cephaloglycin", "Cefaloglycin", "Cefaloglycine", "Cefaloglicina", "Cefaloglycin", "Cephaloglycin dihydrate", "Cefaloglycin dihydrate", "Cephaloglycin anhydrous", "Kefocin", "39435", "Kafocin", "Cephaloglycin", "Cephaloglycin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200965", "category": ["biolink:ChemicalEntity"], "name": "BACAMPICILLIN HYDROCHLORIDE", "xref": ["InChIKey:IWVTXAGTHUECPN-ANBBSHPLSA-N", "SMILES:CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.Cl"], "synonym": ["Bacampicillin hydrochloride", "Bacampicillin hydrochloride", "Bacampicillin hydrochloride", "Bacampicillin hydrochloride", "Bacampicillin hcl", "Bacampicillin hydrochloride", "Becampicillin hydrochloride", "NSC-758228", "Ambaxin", "Spectrobid", "Bacampicillin hydrochloride", "Bacampicillin hydrochloride"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201118", "category": ["biolink:ChemicalEntity"], "name": "CEFMETAZOLE SODIUM", "xref": ["InChIKey:BITQGIOJQWZUPL-PBCQUBLHSA-M", "SMILES:CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+]"], "synonym": ["Cefmetazole sodium", "Cefmetazole sodium", "Cefmetazole sodium salt", "Cefmetazole sodium", "NSC-758171", "U-72791A", "Zefazone", "Cefmetazole sodium", "Cefmetazole sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201046", "category": ["biolink:ChemicalEntity"], "name": "CEFORANIDE", "xref": ["InChIKey:SLAYUXIURFNXPG-CRAIPNDOSA-N", "SMILES:NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12"], "synonym": ["Ceforanide", "Ceforanide", "Ceforanide", "Ceforanide", "Ceforanida", "BL-S786", "NSC-760049", "Precef", "Ceforanide", "Ceforanide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4303232", "category": ["biolink:ChemicalEntity"], "name": "CEFOTIAM HYDROCHLORIDE", "xref": ["InChIKey:BWRRTAXZCKVRON-DGPOFWGLSA-N", "SMILES:CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl.Cl"], "synonym": ["Cefotiam hydrochloride", "Cefotiam hydrochloride", "Cefotiam dihydrochloride", "Cefotiam dihydrochloride", "Cefotiam hcl", "ABBOTT-48999", "CGP-14221/E", "NSC-758164", "SCE 963", "SCE-963", "Ceradon", "Pansporin", "Cefotiam hydrochloride", "Cefotiam hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200530", "category": ["biolink:ChemicalEntity"], "name": "CEFOXITIN SODIUM", "xref": ["InChIKey:GNWUOVJNSFPWDD-XMZRARIVSA-M", "SMILES:CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21.[Na+]"], "synonym": ["Cefoxitin sodium", "Cefoxitin sodium", "Cefoxitin sodium", "Cefoxitin sodium", "Cefoxitin sodium salt", "Cefoxitin sodium salt", "Mefoxin", "Cefoxitin sodium", "Cefoxitin sodium"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314373", "category": ["biolink:ChemicalEntity"], "name": "CEFPROZIL, (E)-", "xref": ["InChIKey:ALYUMNAHLSSTOU-CIRGZYLNSA-N", "SMILES:C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1.O"], "synonym": ["Cefprozil", "Cefprozil", "Cefprozil", "Cefprozil", "Cefprozilo", "Cefprozil", "Cefprozil", "Cefprozil e-form", "Cefprozil monohydrate", "Cefprozil", "Cefprozil monohydrate", "Cefprozil, (e)-", "Cefprozil, (e)-isomer", "Cefprozil, e-isomer", "NSC-759099", "Cefprozil", "Cefzil"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201019", "category": ["biolink:ChemicalEntity"], "name": "CEFTIZOXIME SODIUM", "xref": ["InChIKey:ADLFUPFRVXCDMO-LIGXYSTNSA-M", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1.[Na+]"], "synonym": ["Ceftizoxime sodium", "Ceftizoxime sodium", "Ceftizoxime sodium", "Ceftizoxime sodium salt", "Ceftizoxime sodium", "Sodium ceftizoxime", "FK 749", "FK-749", "FR 13749", "FR-13749", "SK&F 88373-Z", "SK&F-88373-Z", "Cefizox", "Epocelin", "Ceftizoxime sodium", "Ceftizoxime sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200544", "category": ["biolink:ChemicalEntity"], "name": "CEPHALEXIN", "xref": ["InChIKey:AVGYWQBCYZHHPN-CYJZLJNKSA-N", "SMILES:CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O"], "synonym": ["Cefalexin", "Cefalexin", "Cephalexin", "Cefalexin", "Cephalexin", "Cephalexin monohydrate", "Biocef", "Cefalexin", "Cefalexin monohydrate", "Cefanex", "Cephalexin", "Novolexin", "66873", "LY-66873", "Cephalexin", "Ceporex", "Keflet", "Keflex", "Kiflone", "Panixine disperdose", "Tenkorex", "Cephalexin", "Cephalexin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200523", "category": ["biolink:ChemicalEntity"], "name": "CEFAZOLIN SODIUM", "xref": ["InChIKey:FLKYBGKDCCEQQM-WYUVZMMLSA-M", "SMILES:Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+]"], "synonym": ["Cefazolin sodium", "Cefazolin sodium", "Cefazolin sodium", "Cefazolin sodium salt", "Cefacidal", "Cefamedin", "Cefamezin", "Cefazil", "Cefazolin injection", "Cefazolin sodium", "Gramaxin", "Totacef", "46083", "NSC-291561", "SK&F 41558", "SK&F-41558", "Acef", "Ancef", "Cefazolin and dextrose", "Cefazolin sodium", "Kefzol", "Zolicef", "Cefazolin sodium", "Cefazolin sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL927", "category": ["biolink:ChemicalEntity"], "name": "CEFDINIR", "xref": ["InChIKey:RTXOFQZKPXMALH-GHXIOONMSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3csc(N)n3)[C@H]2SC1"], "synonym": ["Cefdinir", "Cefdinir", "Cefdinir", "Cefdinir", "Cefdinir", "Cefdinir", "Cefdinir", "Cefdinir anhydrous", "Cefzon", "BMY-28488", "CI-983", "FK 482", "FK-482", "NSC-758926", "Cefdinir", "Omnicef", "Cefdinir", "Cefdinir"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3183193", "category": ["biolink:ChemicalEntity"], "name": "CEFMENOXIME HYDROCHLORIDE", "xref": ["InChIKey:MPTNDTIREFCQLK-UNVJPQNDSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1.CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1.Cl"], "synonym": ["Cefmenoxime hydrochloride", "Cefmenoxime hydrochloride", "Cefmenoxime hcl", "ABBOTT-50192", "ABBOTT-50192 (HCL)", "NSC-760352", "SCE-1365 (TAKEDA) (BASE)", "SCE-1365 HYDROCHLORIDE", "Cefmax", "Tacef", "Cefmenoxime hydrochloride", "Cefmenoxime hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200482", "category": ["biolink:ChemicalEntity"], "name": "CEFOPERAZONE SODIUM", "xref": ["InChIKey:NCFTXMQPRQZFMZ-WERGMSTESA-M", "SMILES:CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O.[Na+]"], "synonym": ["Cefoperazone sodium", "Cefoperazone sodium", "Cefoperazone sodium salt", "Cefoperazone (as sodium)", "Cefoperazone sodium", "Sodium cefoperazone", "CP-52,640-2", "CP-52640-2", "CP-526402", "NSC-758173", "T-1551", "Cefobid", "Cefobis", "Cefoperazone sodium component of sulperazone", "Cefoperazone sodium", "Cefoperazone sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200672", "category": ["biolink:ChemicalEntity"], "name": "CEFPIRAMIDE SODIUM", "xref": ["InChIKey:RIWWMGQFMUUYIY-ALLHVENQSA-M", "SMILES:Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1.[Na+]"], "synonym": ["Cefpiramide sodium", "Cefpiramide sodium", "Cefpiramide sodium salt", "Cefpiramide sodium salt", "Suncefal", "WY-44,635 SODIUM", "WY-44635 SODIUM", "Cefpiramide sodium", "Sepatren", "Cefpiramide sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544973", "category": ["biolink:ChemicalEntity"], "name": "CEFTAROLINE FOSAMIL ACETATE", "xref": ["InChIKey:KRWPPVCZNGQQHZ-IINIBMQSSA-N", "SMILES:CC(=O)O.CCO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1.O"], "synonym": ["Ceftaroline fosamil acetate", "Ceftaroline fosamil monoacetate monohydrate", "Ceftaroine", "Ppi-0903 monoacetate monohydrate", "Tak-599 monoacetate monohydrate", "Zinforo", "Ceftaroline fosamil acetate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1644", "category": ["biolink:ChemicalEntity"], "name": "CEFADROXIL", "xref": ["InChIKey:BOEGTKLJZSQCCD-UEKVPHQBSA-N", "SMILES:CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1"], "synonym": ["Cefadroxil", "Cefadroxil", "Cefadroxil", "Cefadroxil/cefadroxil hemihydrate", "Cefadroxil", "Cefadroxilo", "Cefadroxil", "Cefadroxil", "Cefadroxil monohydrate", "Anhydrous cefadroxil", "Cefadroxil", "Cefadroxil (as monohydrate)", "Cefadroxil anhydrous", "Cefadroxil hydrate", "Cefadroxil monohydrate", "Duracef", "BL-S578", "MJF 11567-3", "MJF-11567-3", "NSC-756664", "Baxan", "Cefadrops", "Cefadroxil", "Cefatabs", "Duricef", "Ultracef", "Cefadroxil", "Cefadroxil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1232", "category": ["biolink:ChemicalEntity"], "name": "ERTAPENEM SODIUM", "xref": ["InChIKey:ZXNAQFZBWUNWJM-HRXMHBOMSA-M", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12.[Na+]"], "synonym": ["Ertapenem sodium", "Ertapenem sodium", "Ertapenem sodium", "Ertapenem sodium", "Ertapenem sodium salt", "Ertapenem sodium", "L-749345", "MK-0826", "MK-826", "Ertapenem sun", "Invanz", "Ertapenem sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200768", "category": ["biolink:ChemicalEntity"], "name": "CEFTAZIDIME SODIUM", "xref": ["InChIKey:JEEWDSDYUSEQML-ROMZVAKDSA-M", "SMILES:CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)[O-].[Na+]"], "synonym": ["Ceftazidime sodium", "GR 20263 MONOSODIUM SALT"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067656", "category": ["biolink:ChemicalEntity"], "name": "CEFTRIAXONE SODIUM", "xref": ["InChIKey:KTAVBOYXMBQFGR-MAODNAKNSA-J", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1.CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Ceftriaxone sodium", "Ceftriaxone sodium", "Ceftriaxone sodium", "Ceftriaxone sodium hydrate", "Ceftriaxone disodium salt", "Ceftriaxone disodium salt hemiheptahydrate", "Cefraden", "Ceftriaxone (as sodium)", "Ceftriaxone sodium", "Ceftriaxone sodium anhydrous", "Ceftriaxone sodium sesquaterhydrate", "Megion", "Rocefin", "Sodium ceftriaxone, anhydrous", "RO 13-9904", "RO-13-9904", "RO-13-9904/001", "Ceftriaxone sodium component of rocephin kit", "Rocephin", "Ceftriaxone sodium", "Ceftriaxone sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1605", "category": ["biolink:ChemicalEntity"], "name": "CEFTIBUTEN", "xref": ["InChIKey:UNJFKXSSGBWRBZ-BJCIPQKHSA-N", "SMILES:Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1"], "synonym": ["Ceftibuten", "Ceftibuten", "Ceftibuten", "Ceftibuten", "Ceftibutene", "Ceftibuteno", "Ceftibuten", "Ceftibuten", "Ceftibutin", "7432-S", "ACHN-383", "ACHN383", "NSC-758925", "PF-06264006", "SCH 39720", "SCH-39720", "Ceftibuten component of pf-07612577  pf-06264006", "Seftem", "Ceftibuten"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1082", "category": ["biolink:ChemicalEntity"], "name": "AMOXICILLIN", "xref": ["InChIKey:LSQZJLSUYDQPKJ-NJBDSQKTSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O"], "synonym": ["Amoxicillin", "Amoxicillin", "Amoxicillin", "Amoxicillin", "Amoxicillin", "Amoxicilline", "Amoxicilline", "Amoxicilina", "Amoxicillin", "Amoxicillin hydrate", "Amoxicillin", "Amoxicillin trihydrate", "Amoxicillin", "Amoxicillin (anhydrous)", "Amoxicillin (as trihydrate)", "Amoxicillin anhydrous", "Amoxicillin hydrate", "Amoxicillin trihydrate", "Amoxicillinum trihydricum", "Amoxycillin", "Amoxycillin trihydrate", "Amoxyke", "Atoksilin", "Damoxy", "Demoksil", "Largopen", "Moksilin", "Promoxil", "Remoxil", "Topramoxin", "BRL 2333", "BRL-2333", "NSC-277174", "Amix 125", "Amix 250", "Amix 500", "Amopen", "Amoram", "Amoxi-inject", "Amoxi-tabs", "Amoxicillin", "Amoxicillin component of augmentin", "Amoxicillin component of clavulox   trihydrate", "Amoxicillin component of prevpac", "Amoxicillin component of talicia", "Amoxicillin pediatric", "Amoxident 250", "Amoxident 500", "Amoxil", "Amoxil fiztab", "Amoxil sf", "Amoxymed", "Amrit", "Aquacil", "Biomox", "Dedoxil", "Dispermox", "Flemoxin solutab", "Galenamox", "Larotid", "Moxatag", "Polymox", "Respillin", "Robamox", "Sumox", "Trimox", "Utimox", "Vetremox", "Wymox", "Zoxycil 250", "Zoxycil 500", "Amoxicillin", "Amoxicillin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL174", "category": ["biolink:ChemicalEntity"], "name": "AMPICILLIN", "xref": ["InChIKey:AVKUERGKIZMTKX-NJBDSQKTSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O"], "synonym": ["Ampicillin", "Ampicillin", "Ampicillin", "Ampicillin/ampicillin trihydrate", "Ampicillin", "Ampicilline", "Ampicilina", "Ampicillin", "Ampicillin hydrate", "Anhydrous ampicillin", "Ampicillin", "Alpha-aminobenzylpenicillin", "Aminobenzylpenicillin", "Aminobenzylpenicillin trihydrate", "Ampicillin", "Ampicillin (anhydrous)", "Ampicillin anhydrous", "Ampicillin hydrate", "Ampicillin, anhydrous", "Ampicillinum", "Anhydrous ampicillin", "Poly-cillin", "Polycillin-prb", "Probampacin", "Redicilin", "Semicillin", "Tokiocillin", "Ultrabion", "AY-6108", "BRL-1341", "NSC-528986", "P-50", "WY 5103", "Amcill", "Amfipen", "Ampicillin trihydrate", "Ampilar", "Britcin", "Omnipen (ampicillin)", "Penbritin", "Pfizerpen-a", "Polycillin", "Principen", "Principen '125'", "Principen '250'", "Principen '500'", "Totacillin", "Vidopen", "Ampicillin", "Ampicillin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201098", "category": ["biolink:ChemicalEntity"], "name": "CEFOTETAN DISODIUM", "xref": ["InChIKey:ZQQALMSFFARWPK-GLHLDKNHSA-L", "SMILES:CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)[O-])S2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+].[Na+]"], "synonym": ["Cefotetan disodium", "Cefotetan sodium", "Cefotetan disodium salt", "Cefotetan disodium", "Cefotetan sodium", "YM-09330", "Cefotan", "Yamatetan", "Cefotetan disodium", "Cefotetan disodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1541", "category": ["biolink:ChemicalEntity"], "name": "CEFIXIME", "xref": ["InChIKey:OKBVVJOGVLARMR-QSWIMTSFSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OCC(=O)O)c3csc(N)n3)[C@H]2SC1"], "synonym": ["Cefixime", "Cefixime", "Cefixime", "Cefixime", "Cefixime", "Cefixima", "Cefixime", "Cefixime hydrate", "Cefixime", "Cefixime trihydrate", "Anhydrous cefixime", "Cefixime", "Cefixime anhydrous", "Cefixime hydrate", "Cefixime trihydrate", "Cephoral", "Citropen", "CL 284,635", "CL-284635", "FK 027", "FK-027", "FR 17027", "FR-17027", "Cefixime", "Cefspan", "Oroken", "Suprax", "Cefixime", "Cefixime"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL606260", "category": ["biolink:ChemicalEntity"], "name": "CARBENICILLIN DISODIUM", "xref": ["InChIKey:RTYJTGSCYUUYAL-YCAHSCEMSA-L", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+]"], "synonym": ["Carbenicillin sodium", "Carbenicillin disodium", "Carbenicillin sodium", "Carbenicillin disodium salt", "Carbenicillin disodium", "BRL-2064", "CP-15-639-2", "NSC-111071", "Geopen", "Pyopen", "Carbenicillin disodium", "Carbenicillin disodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200356", "category": ["biolink:ChemicalEntity"], "name": "CYCLACILLIN", "xref": ["InChIKey:HGBLNBBNRORJKI-WCABBAIRSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O"], "synonym": ["Ciclacillin", "Ciclacillin", "Cyclacillin", "Ciclacillin", "Ciclacilline", "Ciclacilina", "Ciclacillin", "Vastcillin", "NSC-88789", "WY-4508", "Calthor", "Cyclacillin", "Cyclapen-w", "Vasticillin", "Cyclacillin", "Cyclacillin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL491571", "category": ["biolink:ChemicalEntity"], "name": "DORIPENEM", "xref": ["InChIKey:AVAACINZEOAHHE-VFZPANTDSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12"], "synonym": ["Doripenem", "Doripenem", "Doripenem", "Doripenem", "Doripenem", "Doripenem", "S-4661", "Doribax", "Doripenem"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200366", "category": ["biolink:ChemicalEntity"], "name": "CEPHALEXIN HYDROCHLORIDE", "xref": ["InChIKey:YHJDZIQOCSDIQU-OEDJVVDHSA-N", "SMILES:CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.Cl.O"], "synonym": ["Cephalexin hydrochloride", "Cephalexin monohydrochloride monohydrate", "Cefalexin hydrochloride", "Cephalexin hcl", "Cephalexin hydrochloride", "LY-061188", "LY061188", "Keftab", "Cephalexin hydrochloride", "Cephalexin hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201005", "category": ["biolink:ChemicalEntity"], "name": "CEFONICID SODIUM", "xref": ["InChIKey:NAXFZVGOZUWLEP-RFXDPDBWSA-L", "SMILES:O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12.[Na+].[Na+]"], "synonym": ["Cefonicid sodium", "Cefonicid disodium salt", "Cefonicid sodium", "Cefonicide sodium", "SK&F D-75073-Z(SUB 2)", "SK&F D-75073-Z2", "SK&F-D-75073-Z(SUB 2)", "SK&F-D-75073-Z2", "Monocid", "Cefonicid sodium", "Cefonicid sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200758", "category": ["biolink:ChemicalEntity"], "name": "AMPICILLIN SODIUM", "xref": ["InChIKey:KLOHDWPABZXLGI-YWUHCJSESA-M", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]"], "synonym": ["Ampicillin sodium", "Ampicillin sodium", "Ampicillin sodium salt", "Ampicillin (as sodium)", "Ampicillin sodium", "Ampicillin sodium, sterile", "Ampicillinum natricum", "NSC-755864", "Amp equine", "Ampicillin sodium", "Ampicillin sodium component of unasyn", "Omnipen", "Omnipen-n", "Penbritin-s", "Polycillin-n", "Principen-n", "Totacillin-n", "Ampicillin sodium", "Ampicillin sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200962", "category": ["biolink:ChemicalEntity"], "name": "CEFEPIME HYDROCHLORIDE", "xref": ["InChIKey:LRAJHPGSGBRUJN-OMIVUECESA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1.Cl.O.[Cl-]"], "synonym": ["Cefepime hydrochloride", "Cefepime hydrochloride", "Cefepime dihydrochloride hydrate", "Cefepime hydrochloride monohydrate", "Cefepime (as hydrochloride)", "Cefepime dihydrochloride monohydrate", "Cefepime hcl", "Cefepime hydrochloride", "Cefepime hydrochloride (arginine formulation)", "BMY-28142 2HCL.H20", "BMY-28142 2HCL.H2O", "BMY-28142 DIHYDROCHLORIDE MONOHYDRATE", "NSC-760051", "Cefepime hydrochloride", "Cefepime hydrochloride component of exblifep", "Exblifep", "Maxipime", "Cefepime hydrochloride", "Cefepime hydrochloride"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL44354", "category": ["biolink:ChemicalEntity"], "name": "CEFTAZIDIME", "xref": ["InChIKey:ORFOPKXBNMVMKC-DWVKKRMSSA-N", "SMILES:CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O"], "synonym": ["Ceftazidime", "Ceftazidime", "Ceftazidime", "Ceftazidime pentahydrate", "Ceftazidime", "Ceftazidime", "Ceftazidima", "Ceftazidime", "Ceftazidime hydrate", "Ceftazidime", "Ceftazidime pentahydrate", "Ceftazidime", "Ceftazidime (arginine formulation)", "Ceftazidime anhydrous", "Ceftazidime pentahydrate", "GR 20263", "GR-20263", "J01DD07", "LY 139381", "LY-139381", "NSC-759260", "Ceftazidime", "Ceftazidime component of avycaz", "Ceftazidime component of zavicefta", "Ceptaz", "Fortam", "Fortaz", "Fortum", "Kefazim", "Pentacef", "Tazicef", "Tazidime", "Ceftazidime", "Ceftazidime", "Ceftazidime pentahydrate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1010", "category": ["biolink:ChemicalEntity"], "name": "CEFOTAXIME SODIUM", "xref": ["InChIKey:AZZMGZXNTDTSME-JUZDKLSSSA-M", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+]"], "synonym": ["Cefotaxime sodium", "Cefotaxime sodium", "Cefotaxime sodium", "Cefotaxime sodium salt", "Cefotaxime sodium", "Sodium cefotaxime", "HR 756", "HR-756", "NSC-756666", "RU 24756", "RU-24756", "Cefcil", "Cefotaxime sodium", "Claforan", "Pretor", "Cefotaxime sodium", "Cefotaxime sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201016", "category": ["biolink:ChemicalEntity"], "name": "CEFPODOXIME PROXETIL", "xref": ["InChIKey:LTINZAODLRIQIX-FBXRGJNPSA-N", "SMILES:COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\\OC)c3csc(N)n3)[C@H]2SC1"], "synonym": ["Cefpodoxime proxetil", "Cefpodoxime proxetil", "Cefpodoxime proxetil", "CS-807", "NSC-759161", "U-76252", "Banan", "Cefodox", "Cefpodoxime proxetil", "Otreon", "Podomexef", "Simplicef", "Vantin", "Cefpodoxime proxetil", "Cefpodoxime proxetil"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL454446", "category": ["biolink:ChemicalEntity"], "name": "CEFDITOREN PIVOXIL", "xref": ["InChIKey:AFZFFLVORLEPPO-UVYJNCLZSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\\c3scnc3C)CS[C@H]12)c1csc(N)n1"], "synonym": ["Cefditoren pivoxil", "Cefditoren pivoxil", "Cefditoren pivaloyloxymethyl ester", "Cefditoren pivoxil", "CDTR-PI", "ME-1207", "ME1207", "NSC-759098", "Meiact", "Spectracef", "Cefditoren pivoxil", "Cefditoren pivoxil"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200610", "category": ["biolink:ChemicalEntity"], "name": "LORACARBEF", "xref": ["InChIKey:GPYKKBAAPVOCIW-HSASPSRMSA-N", "SMILES:N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1.O"], "synonym": ["Loracarbef", "Loracarbef", "Loracarbef", "Loracarbef", "Loracarbef", "Loracarbef", "Loracarbef monohydrate", "Loracarbef", "LY-163892 MONOHYDRATE", "LY163892 MONOHYDRATE", "Lorabid", "Loracarbef", "Loracarbef"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL127", "category": ["biolink:ChemicalEntity"], "name": "MEROPENEM", "xref": ["InChIKey:DMJNNHOOLUXYBV-PQTSNVLCSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12"], "synonym": ["Meropenem", "Meropenem", "Meropenem", "Meropenem", "Meropenem", "Meropenem hydrate", "Meropenem", "Meropenem trihydrate", "Meronem", "Meropenem", "Meropenem (as trihydrate)", "Meropenem anhydrous", "Meropenem hydrate", "Meropenem trihydrate", "Meropenem, anhydrous", "Merrem i.v.", "ICI 194,660", "ICI-194660", "NSC-759621", "SM-7338", "Meropenem", "Meropenem component of vabomere", "Merrem", "Meropenem", "Meropenem"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1697708", "category": ["biolink:ChemicalEntity"], "name": "MEZLOCILLIN SODIUM", "xref": ["InChIKey:GTGQRSIMEUWHPA-ZBJAFUORSA-M", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]"], "synonym": ["Mezlocillin sodium monohydrate", "Mezlocillin sodium salt", "Mezlocillin sodium", "Mezlin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989515", "category": ["biolink:ChemicalEntity"], "name": "PENICILLIN G BENZATHINE", "xref": ["InChIKey:WIDKTXGNSOORHA-CJHXQPGBSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O.O.O.O.c1ccc(CNCCNCc2ccccc2)cc1"], "synonym": ["Benzathine benzylpenicillin", "Benzathine penicillin", "E708", "Penicillin g benzathine", "Benzathine benzylpenicillin", "Benzathine benzylpenicilline", "Benzatina bencilpenicilina", "Benzylpenicillin benzathine hydrate", "Penicillin g benzathine", "Penicillin g benzathine anhydrous", "Benzacillin", "Benzapen", "Benzathin penicillin g", "Benzathini benzylpenicillinum", "Benzilpenicillina benzatinica", "Bica-penicillin", "Cillenta", "Debecillin", "Duropenin", "Lentocillin", "Leomypen", "Longacilina", "Longicil", "Moldamin", "Neolin", "Pen-di-ben", "Penadur", "Pendepon", "Penditan", "Penicillin g benzathine", "Penicillin g benzathine anhydrous", "Penidure", "Vicin", "Wycillina", "Bicillin", "Bicillin l-a", "Bicillin l-a tubex", "Extencilline", "Penadur 6-3-3", "Penicillin g benzathine component of bicillin c-r", "Penidural", "Penidural la", "Permapen", "Retarpen"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1223", "category": ["biolink:ChemicalEntity"], "name": "PENICILLIN G POTASSIUM", "xref": ["InChIKey:IYNDLOXRXUOGIU-LQDWTQKMSA-M", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]"], "synonym": ["E705", "Penicillin g potassium", "Penicillin g potassium salt", "Benzylpenicillin potassium", "Penicillin g potassium", "NSC-131815", "Cilloral", "Penicillin", "Penicillin g potassium", "Penicillin-2", "Pentids", "Pentids '200'", "Pentids '250'", "Pentids '400'", "Pentids '800'", "Pfizerpen", "Pfizerpen g", "Scotcil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1126", "category": ["biolink:ChemicalEntity"], "name": "PENICILLIN G SODIUM", "xref": ["InChIKey:FCPVYOBCFFNJFS-LQDWTQKMSA-M", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]"], "synonym": ["E706", "Penicillin g sodium", "Penicillin g sodium salt", "Benzyl penicillin sodium", "Benzylpenicillin sodium", "Benzylpenicillinum natricum", "Crystapen", "Ethacillin", "Monocillin", "Penicillin g sodium", "Penicillin sodium", "Penicillinum", "Sodium benzylpenicillinoate", "NSC-402815", "Penicillin g sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200820", "category": ["biolink:ChemicalEntity"], "name": "PIPERACILLIN SODIUM", "xref": ["InChIKey:WCMIIGXFCMNQDS-IDYPWDAWSA-M", "SMILES:CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)C(=O)C1=O.[Na+]"], "synonym": ["Piperacillin sodium", "Piperacillin sodium", "Piperacillin sodium", "Piperacillin sodium salt", "Penmalin", "Piperacillin (as sodium)", "Piperacillin sodium", "CL 227,193", "CL-227193", "NSC-757277", "T-1220", "Piperacillin sodium component of zosyn", "Pipracil", "Pipril", "Piperacillin sodium", "Piperacillin sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL43708", "category": ["biolink:ChemicalEntity"], "name": "IMIPENEM", "xref": ["InChIKey:GSOSVVULSKVSLQ-JJVRHELESA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12.O"], "synonym": ["Imipenem", "Imipenem", "Imipenem", "Imipenem", "Imipenem hydrate", "Imipenem", "Imipenem monohydrate", "Imipemide", "Imipenem", "Imipenem hydrate", "Imipenem monohydrate", "Imipenem monohydrate (h2o)", "MK-0787", "NSC-759901", "Imipenem component of primaxin", "Imipenem component of recarbrio", "Imipenem", "Imipenem", "Imipenem monohydrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL530", "category": ["biolink:ChemicalEntity"], "name": "AMDINOCILLIN", "xref": ["InChIKey:BWWVAEOLVKTZFQ-ISVUSNJMSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O"], "synonym": ["Mecillinam", "Mecillinam", "Mecillinam", "Amdinocillin", "Mecillinam", "Mecilinam", "Mecillinam", "Amdinocillin", "Amdinocillin", "Mecillinam", "FL 1060", "FL-1060", "RO 10-9070", "RO-10-9070", "Coactin", "Selecidin", "Selexidin", "Amdinocillin", "Amdinocillin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Peptidoglycan D,D-transpeptidase MrdA", "xref": ["CHEMBL.TARGET:CHEMBL2354313"], "id": "UniProtKB:P0AD65", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200701", "category": ["biolink:ChemicalEntity"], "name": "DICLOXACILLIN SODIUM", "xref": ["InChIKey:SIGZQNJITOWQEF-VICXVTCVSA-M", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+]"], "synonym": ["Dicloxacillin sodium", "Dicloxacillin sodium", "Dicloxacillin sodium", "Dicloxacillin sodium hydrate", "Dicloxacillin sodium salt monohydrate", "Dicloxacillin sodium", "Dicloxacillin sodium monohydrate", "Dicloxacillinum natricum", "Sodium dicloxacillin", "Sodium dicloxacillin monohydrate", "NSC-756726", "P-1011", "Dicloxacillin sodium", "Dycill", "Dynapen", "Pathocil", "Dicloxacillin sodium", "Dicloxacillin sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2362972", "category": ["biolink:ProteinFamily"], "name": "Penicillin-binding protein"}
{"id": "CHEMBL.COMPOUND:CHEMBL1568276", "category": ["biolink:ChemicalEntity"], "name": "NAFCILLIN SODIUM", "xref": ["InChIKey:OCXSDHJRMYFTMA-KMFBOIRUSA-M", "SMILES:CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+]"], "synonym": ["Nafcillin sodium", "Nafcillin sodium salt anhydrous", "Nafcillin sodium salt monohydrate", "Anhydrous nafcillin sodium", "Nafcillin sodium", "Nafcillin sodium anhydrous", "Nafcillin sodium monohydrate", "Sodium nafcillin", "Sodium nafcillin monohydrate", "NSC-757108", "WY-3277", "Nafcil", "Nafcillin sodium", "Nallpen", "Unipen", "Nafcillin sodium", "Nafcillin sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989567", "category": ["biolink:ChemicalEntity"], "name": "OXACILLIN SODIUM", "xref": ["InChIKey:ZVIYWUUZWWBNMB-VICXVTCVSA-M", "SMILES:Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+]"], "synonym": ["Oxacillin sodium", "Oxacillin sodium", "Oxacillin sodium salt monohydrate", "Anhydrous oxacillin sodium", "Bristopen", "Cryptocillin", "Micropenin", "Oxacillin sodium", "Oxacillin sodium anhydrous", "Oxacillin sodium monohydrate", "Penicillin p-12", "Penstapho", "Sodium oxacillin", "Stapenor", "NSC-527712", "NSC-757253", "P-12", "SO 16,423", "SQ 16,423", "SQ-16423", "Bactocill", "Oxacillin sodium", "Prostaphlin", "Oxacillin sodium", "Oxacillin sodium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108766", "category": ["biolink:ChemicalEntity"], "name": "PYRETHRUM EXTRACT", "synonym": ["Pyrethrum", "Pyrethrins", "Pyrethrum extract", "Pyrethrum extract component of rid mousse  pyrethrins", "Pyrethrum extract"], "chembl_availability_type": "discontinued"}
{"name": "Voltage-sensitive sodium channel alpha-subunit", "synonym": ["Sodium channel protein"], "xref": ["CHEMBL.TARGET:CHEMBL2362984"], "id": "UniProtKB:Q86DI9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121225"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1525", "category": ["biolink:ChemicalEntity"], "name": "PERMETHRIN", "xref": ["InChIKey:RLLPVAHGXHCWKJ-UHFFFAOYSA-N", "SMILES:CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1"], "synonym": ["Permethrin", "Permethrin", "Permethrin", "Permethrin", "Permethrin", "Permethrine", "Permetrina", "Permethrin", "Permethrin", "Activyl tick plus", "Permethrin", "NSC-760105", "Elimite", "Lyclear", "Lythrin", "Nix", "Permethrin", "Permethrin component of activyl tick plus", "Permethrin component of vectra 3d", "Permethrin"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"name": "Voltage-sensitive sodium channel", "synonym": ["Sodium channel protein"], "xref": ["CHEMBL.TARGET:CHEMBL2362985"], "id": "UniProtKB:Q2VKV7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:52283"]}
{"id": "CHEMBL.COMPOUND:CHEMBL608", "category": ["biolink:ChemicalEntity"], "name": "PROBUCOL", "xref": ["InChIKey:FYPMFJGVHOHGLL-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"], "synonym": ["Probucol", "Probucol", "Probucol", "Probucol", "Probucol", "Probucol", "Probucol", "Probucol", "DH-581", "NSC-652160", "NSC-86225", "Bisbid", "Lorelco", "Lurselle", "Sinlestal", "Probucol", "Probucol"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Phospholipid-transporting ATPase ABCA1", "xref": ["CHEMBL.TARGET:CHEMBL2362986"], "id": "UniProtKB:O95477", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525076", "category": ["biolink:ChemicalEntity"], "name": "ENFUVIRTIDE", "xref": ["InChIKey:PEASPLKKXBYDKL-FXEVSJAOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "synonym": ["Enfuvirtide", "Enfuvirtide", "Enfuvirtide", "Enfuvirtide", "Enfuvirtide", "Enfuvirtide", "Enfuvirtida", "Enfuvirtide", "Enfuvirtide", "Pentafuside (trivial name)", "DP-178", "DP178", "T-20", "T20", "Fuzeon", "Fuzeon t-20", "Enfuvirtide"], "chembl_availability_type": "prescription only"}
{"name": "Transmembrane glycoprotein gp41", "synonym": ["Env polyprotein"], "xref": ["CHEMBL.TARGET:CHEMBL2362987"], "id": "UniProtKB:O40239", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:12721"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200468", "category": ["biolink:ChemicalEntity"], "name": "MALATHION", "xref": ["InChIKey:JXSJBGJIGXNWCI-UHFFFAOYSA-N", "SMILES:CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC"], "synonym": ["Malathion", "Malathion", "Malathion", "Malathion", "Malathion", "8059HC", "ENT 17,034", "ENT-17034", "NSC-6524", "OVIDE", "Cythion", "Derbac-m", "Malathion", "Organoderm", "Ovide", "Prioderm", "Quellada-m", "Suleo-m"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Acetylcholinesterase", "synonym": ["Carboxylic ester hydrolase"], "xref": ["CHEMBL.TARGET:CHEMBL2362988"], "id": "UniProtKB:A2PZ98", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121226"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1607", "category": ["biolink:ChemicalEntity"], "name": "TOPOTECAN HYDROCHLORIDE", "xref": ["InChIKey:DGHHQBMTXTWTJV-BQAIUKQQSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl"], "synonym": ["Topotecan hydrochloride", "Topotecan hydrochloride", "Nogitecan hydrochloride", "Topotecan hydrochloride", "Evotopin", "Nogitecan hydrochloride", "Topotecan (as hydrochloride)", "Topotecan actavis", "Topotecan hcl", "Topotecan hospira", "Topotecan hydrochloride", "Topotecan teva", "NSC-759263", "SK&F S-104864-A", "SK&F-S-104864-A", "SK&F-S-104864A", "SK-S-104864-A", "Evotopin", "Hycamtin", "Potactasol", "Topotecan actavis", "Topotecan eagle", "Topotecan hospira", "Topotecan hydrochloride", "Topotecan teva", "Topotecan hydrochloride", "Topotecan hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201780", "category": ["biolink:ChemicalEntity"], "name": "CARGLUMIC ACID", "xref": ["InChIKey:LCQLHJZYVOQKHU-VKHMYHEASA-N", "SMILES:NC(=O)N[C@@H](CCC(=O)O)C(=O)O"], "synonym": ["Carglumic acid", "Carglumic acid", "Carglumic acid", "Carglumic acid", "Carglumic acid", "Acide carglumique", "Acido carglumico", "Carglumic acid", "Carglumic acid", "Carglumic acid", "N-carbamyl-l-glutamic acid", "NSC-760124", "OE 312", "OE 312 (LABORATORY CODE DESIGNATION)", "OE-312", "Carbaglu", "Ucedane", "Carglumic acid", "Carglumic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Carbamoyl-phosphate synthase [ammonia], mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2362990"], "id": "UniProtKB:P31327", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1542", "category": ["biolink:ChemicalEntity"], "name": "AZATHIOPRINE", "xref": ["InChIKey:LMEKQMALGUDUQG-UHFFFAOYSA-N", "SMILES:Cn1cnc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc12"], "synonym": ["Azathioprine", "Azathioprine", "Azathioprine", "Azathioprine", "Azathioprine", "Azathioprine", "Azatioprina", "Azathioprine", "Azathioprine", "Azathioprine", "Azathioprinum", "BW-57-322", "NSC-39084", "Azamune", "Azapress", "Azasan", "Azathioprine", "Berkaprine", "Immunoprin 50", "Imuran", "Jayempi", "Kentaprine", "Oprisine 50", "Azathioprine", "Azathioprine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Amidophosphoribosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2362992"], "id": "UniProtKB:Q06203", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200751", "category": ["biolink:ChemicalEntity"], "name": "MERCAPTOPURINE", "xref": ["InChIKey:WFFQYWAAEWLHJC-UHFFFAOYSA-N", "SMILES:O.S=c1[nH]cnc2nc[nH]c12"], "synonym": ["Mercaptopurine", "Mercaptopurine", "Mercaptopurine", "6-mercaptopurine monohydrate", "Mercaptopurine", "Mercaptopurine", "Mercaptopurine", "Mercaptopurina", "Mercaptopurine", "Mercaptopurine hydrate", "6-mercaptopurine monohydrate", "Mercaptopurine", "Mercaptopurinum", "NSC-755", "NSC-759614", "Mercaptopurine", "Puri-nethol", "Purinethol", "Purixan", "Xaluprine", "Xaluprine (previously mercaptopurine nova laboratories)", "Mercaptopurine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200400", "category": ["biolink:ChemicalEntity"], "name": "AZATHIOPRINE SODIUM", "xref": ["InChIKey:WISNYKIQFMKSDQ-UHFFFAOYSA-N", "SMILES:Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[n-]c12.[Na+]"], "synonym": ["Azathioprine sodium", "Azathioprine sodium salt", "Azathioprine sodium", "Azathioprine sodium", "Imuran", "Imuran injection"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1043", "category": ["biolink:ChemicalEntity"], "name": "DAPSONE", "xref": ["InChIKey:MQJKPEGWNLWLTK-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1"], "synonym": ["Dapsone", "Dapsone", "Dapsone", "Diaphenylsulfone", "Dapsone", "Dapsone", "Dapsona", "Diaphenylsulfone", "Dapsone", "Dapsone", "Dapsonum", "Diaminodiphenylsulfone", "Novophone", "Servidapson", "J04BA02", "NSC-6091", "NSC-6091D", "Aczone", "Dapsone", "Dapsone", "Dapsone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Dihydropteroate synthase", "xref": ["CHEMBL.TARGET:CHEMBL2362993"], "id": "UniProtKB:P0C0X1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272631"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200580", "category": ["biolink:ChemicalEntity"], "name": "SULFOXONE SODIUM", "xref": ["InChIKey:AZBNFLZFSZDPQF-UHFFFAOYSA-L", "SMILES:O=S([O-])CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)[O-])cc2)cc1.[Na+].[Na+]"], "synonym": ["Aldesulfone sodium", "Sulfoxone sodium", "Aldesulfone sodium", "Aldesulfone sodique", "Aldesulfona de sodio", "Aldesulphone sodium", "NSC-27222", "Diasone sodium"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL976", "category": ["biolink:ChemicalEntity"], "name": "PRAZIQUANTEL", "xref": ["InChIKey:FSVJFNAIGNNGKK-UHFFFAOYSA-N", "SMILES:O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1"], "synonym": ["Praziquantel", "Praziquantel", "Praziquantel", "Praziquantel", "Praziquantel", "Prazicuantel", "Praziquantel", "Praziquantel", "Praziquantel", "Praziquantelum", "EMBAY 8440", "EMBAY-8440", "NSC-757285", "Biltricide", "Cesol", "Cestocur", "Cisticid", "Cysticide", "Praziquantel component of broadline", "Praziquantel component of profender", "Praziquantel", "Praziquantel"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Voltage-activated calcium channel beta 1 subunit", "synonym": ["High voltage-activated calcium channel beta subunit CavB1"], "xref": ["CHEMBL.TARGET:CHEMBL2363079"], "id": "UniProtKB:Q95US7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6183"]}
{"name": "Voltage-activated calcium channel beta 2 subunit", "synonym": ["High voltage-activated calcium channel beta subunit CavB2"], "xref": ["CHEMBL.TARGET:CHEMBL2363080"], "id": "UniProtKB:Q962H3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6183"]}
{"id": "CHEMBL.COMPOUND:CHEMBL130", "category": ["biolink:ChemicalEntity"], "name": "CHLORAMPHENICOL", "xref": ["InChIKey:WIIZWVCIJKGZOK-RKDXNWHRSA-N", "SMILES:O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl"], "synonym": ["Chloramphenicol", "Chloramphenicol", "Chloramphenicol", "Chloramphenicol", "Cloranfenicol", "Chloramphenicol", "9-hydroxy-9-phenylxanthene", "9-phenyl-9h-xanthen-9-ol", "Chloramphenicol", "Xanthen-9-ol, 9-phenyl-", "NSC-16331", "NSC-3069", "Amphicol", "Brochlor", "Brolene antibiotic", "Chloramex", "Chloramphenicol", "Chloramphenicol component of chloromycetin hydrocortisone", "Chloramphenicol component of chloromyxin", "Chloramphenicol component of chloroptic-p s.o.p.", "Chloramphenicol component of elase-chloromycetin", "Chloramphenicol component of ophthocort", "Chlorofair", "Chloromycetin", "Chloroptic", "Chloroptic s.o.p.", "Econochlor", "Golden eye antibiotic", "Kemicetine", "Kernispray", "Klorafect", "Mychel", "Ophthochlor", "Optomycin", "Sno phenicol", "Tevcocin", "Tubilux infected eyes"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2363135", "category": ["biolink:MacromolecularComplex"], "name": "Bacterial 70S ribosome"}
{"id": "CHEMBL.COMPOUND:CHEMBL4208954", "category": ["biolink:ChemicalEntity"], "name": "AMIKACIN SULFATE", "xref": ["InChIKey:FXKSEJFHKVNEFI-GCZBSULCSA-N", "SMILES:NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O"], "synonym": ["Amikacin sulfate", "Amikacin sulfate", "Amikacin sulfate", "Amikacin sulfate", "Amikacin (as sulfate)", "Amikacin sulfate", "Amikacin sulphate", "Amikacini sulfas", "Arikayce", "BB-K8", "NSC-755846", "Amikacin sulfate", "Amikin", "Arikayce kit", "Arikayce liposomal", "Amikacin sulfate", "Amikacin sulfate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1517", "category": ["biolink:ChemicalEntity"], "name": "OXYTETRACYCLINE", "xref": ["InChIKey:IWVCMVBTMGNXQD-PXOLEDIWSA-N", "SMILES:CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12"], "synonym": ["Oxytetracycline", "Oxytetracycline", "E703", "Oxytetracycline", "Oxytetracycline", "Oxitetraciclina", "Oxytetracycline", "5-hydroxytetracycline dihydrate", "Nitox", "Oxytetracycline", "Oxytetracycline (anhydrous)", "Oxytetracycline anhydrous", "Oxytetracycline dehydrate", "Oxytetracycline dihydrate", "Oxytetracyclinum dihydras", "Terramycine", "NSC-757262", "NSC-9169", "Berkmycen", "Chemocycline", "Galenomycin", "Hi-tet", "Imperacin", "Microtet", "Oxymycin", "Oxytetramix-250", "Terramycin", "Tetraplex", "Unimycin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989568", "category": ["biolink:ChemicalEntity"], "name": "OXYTETRACYCLINE CALCIUM", "xref": ["InChIKey:KIPLYOUQVMMOHB-MXWBXKMOSA-L", "SMILES:CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.[Ca+2]"], "synonym": ["Oxytetracycline calcium", "Calcium dioxytetracycline", "Oxytetracycline calcium", "Oxytetracycline hemicalcium", "Terramycin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2146123", "category": ["biolink:ChemicalEntity"], "name": "METHACYCLINE HYDROCHLORIDE", "xref": ["InChIKey:VZQARNDJLLWXGL-CCHMMTNSSA-N", "SMILES:C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl"], "synonym": ["Methacycline hydrochloride", "Methacycline hydrochloride", "Methacycline hydrochloride", "Methacycline hydrochloride", "Metacycline hydrochloride", "Methacycline hcl", "Methacycline hydrochloride", "NSC-356465", "NSC-757835", "Rondomycin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3184512", "category": ["biolink:ChemicalEntity"], "name": "CLINDAMYCIN PHOSPHATE", "xref": ["InChIKey:UFUVLHLTWXBHGZ-MGZQPHGTSA-N", "SMILES:CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1"], "synonym": ["Clindamycin phosphate", "Clindamycin phosphate", "Clindamycin phosphate", "Clindamycin phosphate hydrate", "Clindamycin 2-dihydrogen phosphate", "Clindamycin phosphate", "NSC-618653", "U 28508", "U-28,508", "U-28508", "Cleocin", "Cleocin phosphate", "Cleocin t", "Clinadac", "Clinda-derm", "Clindac", "Clindagel", "Clindamycin phosphate", "Clindamycin phosphate component of acanya", "Clindamycin phosphate component of benzaclin", "Clindamycin phosphate component of cabtreo", "Clindamycin phosphate component of duac", "Clindamycin phosphate component of idp-126", "Clindamycin phosphate component of onexton", "Clindamycin phosphate component of veltin", "Clindamycin phosphate component of ziana", "Clindesse", "Clindets", "Dalacin", "Dalacin c phos", "Dalacin p", "Dalacin t", "Evoclin", "Xaciato", "Zindaclin", "Clindamycin phosphate", "Clindamycin phosphate", "Clindamycin phosphate system suitability"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200729", "category": ["biolink:ChemicalEntity"], "name": "CHLORAMPHENICOL SODIUM SUCCINATE", "xref": ["InChIKey:RPLOPBHEZLFENN-HTMVYDOJSA-M", "SMILES:O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+]"], "synonym": ["Chloramphenicol sodium succinate", "Chloramphenicol monosuccinate sodium salt", "Chloramphenicol sodium succinate", "Chloramphenicoli natrii succinas", "Chloramphenicol sodium succinate", "Chloromyccetin sod succ", "Chloromycetin", "Mychel-s", "Paraxin", "Protophenicol"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200510", "category": ["biolink:ChemicalEntity"], "name": "ERYTHROMYCIN STEARATE", "xref": ["InChIKey:YAVZHCFFUATPRK-YZPBMOCRSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"], "synonym": ["Erythromycin stearate", "Erythromycin stearate", "Abboticine", "Erythromycin octadecanoate (salt)", "Erythromycini stearas", "Sk-erythromycin", "NSC-756747", "Bristamycin", "Erypar", "Erythrocin 500", "Erythrocin acne pack", "Erythrocin stearate", "Erythromycin stearate", "Ethril 250", "Ethril 500", "Pfizer-e", "Wyamycin s"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237072", "category": ["biolink:ChemicalEntity"], "name": "DIRITHROMYCIN", "xref": ["InChIKey:WLOHNSSYAXHWNR-DWIOZXRMSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O"], "synonym": ["Dirithromycin", "Dirithromycin", "Dirithromycin", "Dirithromycin", "Dirithromycine", "Diritromicina", "Dirithromycin", "Dirithromycin", "LY 237216", "LY-237216", "NSC-758672", "Dynabac", "Dirithromycin", "Dirithromycin"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545060", "category": ["biolink:ChemicalEntity"], "name": "ERYTHROMYCIN GLUCEPTATE", "xref": ["InChIKey:ZXBDZLHAHGPXIG-VTXLJDRKSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"], "synonym": ["Erythromycin gluceptate", "Erythromycin glucoheptonate", "Erythromycin glucoheptonate", "Ilotycin gluceptate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200937", "category": ["biolink:ChemicalEntity"], "name": "DALFOPRISTIN", "xref": ["InChIKey:SUYRLXYYZQTJHF-VMBLUXKRSA-N", "SMILES:CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12"], "synonym": ["Dalfopristin", "Dalfopristin", "Dalfopristin", "Dalfopristine", "Dalfopristina", "Dalfopristin", "Dalfopristin", "Dalfopristin", "RP 54476", "RP-54476", "Dalfopristin component of synercid", "Dalfopristin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1446", "category": ["biolink:ChemicalEntity"], "name": "KANAMYCIN SULFATE", "xref": ["InChIKey:OOYGSFOGFJDDHP-KMCOLRRFSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O"], "synonym": ["Kanamycin sulfate", "Kanamycin a sulfate", "Kanamycin a sulfate monohydrate", "Kanamycin a sulphate", "Kanamycin monosulfate", "Kanamycin monosulphate", "Kanamycin sulfate", "Kanamycin sulfate monohydrate", "Kanamycini monosulfas", "NSC-757068", "Kanamycin sulfate", "Kantrex", "Klebcil"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200588", "category": ["biolink:ChemicalEntity"], "name": "CLINDAMYCIN HYDROCHLORIDE", "xref": ["InChIKey:AUODDLQVRAJAJM-XJQDNNTCSA-N", "SMILES:CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1.Cl"], "synonym": ["Clindamycin hydrochloride", "Clindamycin hydrochloride", "Clindamycin hydrochloride", "Antirobe", "Clindamycin (as hydrochloride)", "Clindamycin hcl", "Clindamycin hydrochloride", "Clinsol", "Clintabs", "Sobelin", "NSC-756696", "Cleocin", "Cleocin hydrochloride", "Clindamycin hydrochloride", "Dalacin c"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL376140", "category": ["biolink:ChemicalEntity"], "name": "TIGECYCLINE", "xref": ["InChIKey:FPZLLRFZJZRHSY-HJYUBDRYSA-N", "SMILES:CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O"], "synonym": ["Tigecycline", "Tigecycline", "Tigecycline", "Tigecycline", "Tigecycline", "Tigeciclina", "Tigecycline", "Tigecycline", "Tigecycline", "WAY-GAR-936", "Tigecycline", "Tigecycline accord", "Tygacil", "Tigecycline", "Tigecycline"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200474", "category": ["biolink:ChemicalEntity"], "name": "DEMECLOCYCLINE HYDROCHLORIDE", "xref": ["InChIKey:GVSJQNRGSCOSNJ-KBHRXELFSA-N", "SMILES:CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl"], "synonym": ["Demeclocycline hydrochloride", "Demeclocycline hydrochloride", "Demethylchlortetracycline hydrochloride", "Demeclocycline hydrochloride", "Declostatin", "Demeclocycline hcl", "Demeclocycline hydrochloride", "NSC-756708", "Declomycin", "Demeclocycline hydrochloride", "Ledermycin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1136", "category": ["biolink:ChemicalEntity"], "name": "TELITHROMYCIN", "xref": ["InChIKey:LJVAJPDWBABPEJ-PNUFFHFMSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C"], "synonym": ["Telithromycin", "Telithromycin", "Telithromycin", "Telithromycin", "Telithromycin", "Telithromycin", "Telithromycine", "Telitromicina", "Telithromycin", "Telithromycin", "Levviax", "Telithromycin", "HMR 3647", "HMR-3647", "HMR3647", "NSC-758940", "Ketek", "Levviax", "Telithromycin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3184791", "category": ["biolink:ChemicalEntity"], "name": "STREPTOMYCIN SULFATE", "xref": ["InChIKey:QTENRWWVYAAPBI-YCRXJPFRSA-N", "SMILES:CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"], "synonym": ["Streptomycin sulfate", "Streptomycin sesquisulfate", "Agrimycin 17", "Agrimycin sulfate", "Ambistryn s", "Streptomycin (as sulfate)", "Streptomycin sulfate (2:3) (salt)", "Streptomycin sulphate", "Streptomycini sulfas", "Vetstrep", "NSC-757316", "Streptomycin sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL454950", "category": ["biolink:ChemicalEntity"], "name": "TETRACYCLINE HYDROCHLORIDE", "xref": ["InChIKey:XMEVHPAGJVLHIG-FMZCEJRJSA-N", "SMILES:CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl"], "synonym": ["Tetracycline hydrochloride", "Tetracycline hydrochloride", "Tetracycline hydrochloride", "Neocycline b", "Tetracycline hcl", "Tetracycline hydrochloride", "Tetracyclini hydrochloridum", "Vetquamycin 324", "NSC-757338", "Achromycin", "Achromycin v", "Actisite", "Bristacycline", "Cyclopar", "Latycin", "Panmycin", "Retet", "Robitet", "Sumycin", "Tetrachel", "Tetracycline hydrochloride", "Tetracycline hydrochloride component of achromycin", "Tetracycline hydrochloride component of apt t3x  tetracycline tetracycline", "Tetracycline hydrochloride component of apt-t3x  tetracycline tetracycline", "Tetracycline hydrochloride component of helidac", "Tetracycline hydrochloride component of pylera", "Tetracyn", "Tetramed", "Topicycline"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200632", "category": ["biolink:ChemicalEntity"], "name": "CLINDAMYCIN PALMITATE HYDROCHLORIDE", "xref": ["InChIKey:GTNDZRUWKHDICY-DJHAJVGHSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC.Cl"], "synonym": ["Clindamycin palmitate hydrochloride", "Clindamycin palmitate hydrochloride", "Clindamycin palmitate hcl", "Clindamycin palmitate hydrochloride", "NSC-759141", "U-25,179 E", "U-25179-E", "U-25179E", "Cleocin", "Clindamycin palmitate hydrochloride", "Clindamycin palmitate hydrochloride", "Clindamycin palmitate hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200506", "category": ["biolink:ChemicalEntity"], "name": "ERYTHROMYCIN LACTOBIONATE", "xref": ["InChIKey:NNRXCKZMQLFUPL-WBMZRJHASA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO"], "synonym": ["Erythromycin lactobionate", "Erythromycin lactobionate", "Erythromycin lactobionate", "Erythromycin lactobionate", "Erythromycini lactobionas", "Erythrocin", "Erythromycin lactobionate", "Sterile erythromycin lactobionate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1440", "category": ["biolink:ChemicalEntity"], "name": "TETRACYCLINE", "xref": ["InChIKey:OFVLGDICTFRJMM-WESIUVDSSA-N", "SMILES:CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"], "synonym": ["Tetracycline", "Tetracycline", "E701", "Tetracycline", "Tetraciclina", "Tetracycline", "Tetracycline", "NSC-108579", "Achromycin v", "Economycin", "Panmycin", "Supramycin", "Sustamycin", "Tetrabid organon", "Tetracycline component of pylera", "Vetquamycin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989829", "category": ["biolink:ChemicalEntity"], "name": "NETILMICIN SULFATE", "xref": ["InChIKey:AGFWIZQEWFGATK-UNZHCMSXSA-N", "SMILES:CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"], "synonym": ["Netilmicin sulfate", "Netilmicin sulfate", "Netilmicin sulfate", "Netilmicin sulfate", "Netilmicin sulfate", "Netilmicin sulphate", "SCH 20569", "SCH-20569", "Netillin", "Netromycin", "Netilmicin sulfate", "Netilmicin sulfate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2146063", "category": ["biolink:ChemicalEntity"], "name": "CHLORTETRACYCLINE HYDROCHLORIDE", "xref": ["InChIKey:CBHYYLPALVVVEY-MRFRVZCGSA-N", "SMILES:CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl"], "synonym": ["Chlortetracycline hydrochloride", "Chlortetracycline hydrochloride", "Aureomycin monohydrochloride", "Chlortetracycline hcl", "Chlortetracyclini hydrochloridum", "Isphamycin", "NSC-13252", "Aureomicina", "Aureomycin", "Chlortet hcl", "Isaphamycin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201071", "category": ["biolink:ChemicalEntity"], "name": "TETRACYCLINE PHOSPHATE COMPLEX", "xref": ["InChIKey:WXDJNRXQVCECPF-FMZCEJRJSA-N", "SMILES:CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.O=P(O)(O)O"], "synonym": ["Tetracycline phosphate complex", "Tetracycline hexametaphosphate", "Tetracycline metaphosphate", "Tetrex"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL261772", "category": ["biolink:ChemicalEntity"], "name": "MECLOCYCLINE SULFOSALICYLATE", "xref": ["InChIKey:FYSVKUUNXYGFLA-CCHMMTNSSA-N", "SMILES:C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.O=C(O)c1cc(S(=O)(=O)O)ccc1O"], "synonym": ["Meclocycline sulfosalicylate", "Meclocycline 5-sulfosalicylate", "Meclocycline sulfosalicylate", "Meclocyline sulfosalicylate", "NSC-757831", "SNX-1012", "Meclan", "Meclocil", "Mecloderm", "Meclosorb", "Quoderm", "Traumatociclina", "Meclocycline sulfosalicylate", "Meclocycline sulfosalicylate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200649", "category": ["biolink:ChemicalEntity"], "name": "QUINUPRISTIN", "xref": ["InChIKey:WTHRRGMBUAHGNI-LCYNINFDSA-N", "SMILES:CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O"], "synonym": ["Quinupristin", "Quinupristin", "Quinupristin", "Quinupristine", "Quinupristina", "Quinupristin", "Quinupristin", "Quinupristin", "RP 57669", "RP-57669", "Quinupristin component of synercid", "Quinupristin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1607480", "category": ["biolink:ChemicalEntity"], "name": "OXYTETRACYCLINE HYDROCHLORIDE", "xref": ["InChIKey:UBDNTYUBJLXUNN-IFLJXUKPSA-N", "SMILES:CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.Cl"], "synonym": ["Oxytetracycline hydrochloride", "Oxytetracycline hydrochloride", "Oxytetracycline hydrochloride", "Oxytetracycline hcl", "Oxytetracycline hydrochloride", "Oxytetracyclini hydrochloridum", "Oxy-kesso-tetra", "Oxytetracycline hydrochloride", "Oxytetracycline hydrochloride component of terra-cortril", "Terramycin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2206196", "category": ["biolink:ChemicalEntity"], "name": "PAROMOMYCIN SULFATE", "xref": ["InChIKey:LJRDOKAZOAKLDU-UDXJMMFXSA-N", "SMILES:NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O"], "synonym": ["Paromomycin sulfate", "Paromomycin sulfate", "Paromomycin sulfate", "NSC-758421", "Aminosidine", "Aminoxidin", "Farmiglucin", "Farminosidin", "Gabbromicina", "Gabbromycin", "Gabbroral", "Humagel", "Humatin", "Paramicina", "Pargonyl", "Paricina", "Paromomycin sulfate", "Sinosid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200881", "category": ["biolink:ChemicalEntity"], "name": "MINOCYCLINE HYDROCHLORIDE", "xref": ["InChIKey:GLMUAFMGXXHGLU-VQAITOIOSA-N", "SMILES:CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl"], "synonym": ["Minocycline hydrochloride", "Minocycline hydrochloride", "Minocycline hydrochloride", "Minocycline (as hydrochloride)", "Minocycline hcl", "Minocycline hydrochloride", "NSC-141993", "Acnamino", "Aknemin", "Aknemin 50", "Amzeeq", "Arestin", "Blemix 100", "Blemix 50", "Cyclomin", "Dentomycin", "Dynacin", "Minocin", "Minocin 50", "Minocin mr", "Minocycline hydrochloride", "Minogal", "Minolira", "Sebomin", "Sebren mr", "Solodyn", "Ximino", "Zilxi"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067484", "category": ["biolink:ChemicalEntity"], "name": "GENTAMICIN SULFATE", "synonym": ["Gentamicin sulfate", "Gentamicin sulphate", "Gentamicin sulfate", "Gentamicin sulfate", "Gentamicin c complex sulfate", "Garasol", "Gent-ak", "Gent-ophtal", "Gentacin", "Gentalline", "Gentalyn", "Gentamicin (as sulfate)", "Gentamicin (as sulphate)", "Gentamicin (gentamycin sulfate)", "Gentamicin sulfate", "Gentamicin sulfate (salt)", "Gentamicin sulphate (salt)", "Gentamicini sulfas", "Gentibioptal", "Gentocin", "Gentogram", "Ophtagram", "Pangram", "Refobacin", "Sulmycin", "NSC-757042", "NSC-82261", "SCH 9724", "SCH-9724", "Apogen", "Bristagen", "Cidomycin", "Cidomycin intrathecal", "Garamycin", "Genoptic", "Gentacidin", "Gentafair", "Gentak", "Gentamicin sulfate", "Gentamicin sulfate component of easotic", "Gentamicin sulfate component of pred-g", "Genticin", "Genticin intrathecal", "Lugacin", "Septopal", "U-gencin", "Gentamicin sulfate", "Gentamicin sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2218877", "category": ["biolink:ChemicalEntity"], "name": "ERYTHROMYCIN ESTOLATE", "xref": ["InChIKey:AWMFUEJKWXESNL-JZBHMOKNSA-N", "SMILES:CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O"], "synonym": ["Erythromycin estolate", "Erythromycin estolate", "Erythromycin estolate", "Erythromycin estolate", "Erythromycin estorate", "Erythromycin (as estolate)", "Erythromycin estorate", "Erythromycin lauryl sulfate, propionyl", "Erythromycin propionate lauryl sulfate", "Propionyl erythromycin lauryl sulfate", "NSC-263364", "Erythromycin estolate", "Erythromycin estolate component of ilosone sulfa", "Ilosone", "Erythromycin estolate", "Erythromycin estolate"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL532", "category": ["biolink:ChemicalEntity"], "name": "ERYTHROMYCIN", "xref": ["InChIKey:ULGZDMOVFRHVEP-RWJQBGPGSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"], "synonym": ["Erythromycin", "Erythromycin", "Erythromycin", "Erythromycin", "Erythromycine", "Eritromicina", "Erythromycin", "Erythromycin", "J01FA01", "NSC-55929", "A/t/s", "Akne-mycin", "Aknemycin plus", "C-solve-2", "E-base", "E-glades", "E-mycin", "E-solve 2", "Emgel", "Ery-tab", "Eryacne 2", "Eryacne 4", "Eryc", "Eryc 125", "Eryc sprinkles", "Erycette", "Eryderm", "Erygel", "Erymax", "Erymax sprinkle", "Erythra-derm", "Erythro 200", "Erythro-statin", "Erythromycin", "Erythromycin component of aktipak", "Erythromycin component of benzamycin", "Gallimycin", "Ilotycin", "Isotrexin", "Kerymax", "Oftalmolosa cusi eritromicina", "Paediathrocin", "Pce (erythromycin)", "R-p mycin", "Retcin", "Robimycin", "Rommix 250 ec", "Rommix 500 ec", "Sansac", "Staticin", "Stiemycin", "T-stat", "Tiloryth", "Zineryt", "Erythromycin estolate impurity, free erythromycin-"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989571", "category": ["biolink:ChemicalEntity"], "name": "SPECTINOMYCIN HYDROCHLORIDE", "xref": ["InChIKey:DCHJOVNPPSBWHK-UXXUFHFZSA-N", "SMILES:CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O"], "synonym": ["Spectinomycin hydrochloride", "Spectinomycin dihydrochloride pentahydrate", "Spectinomycin hydrochloride", "Spectinomycin hydrochloride pentahydrate", "Spectinomycin hydrochloride", "Spectinomycin hydrochloride hydrate", "Spectinomycin dihydrochloride pentahydrate", "Spectinomycin dihydrochloride", "Spectinomycin hcl", "Spectinomycin hcl pentahydrate", "Spectinomycin hydrochloride pentahydrate", "Spectinomycini hydrochloridum", "M-141", "NSC-248616", "NSC-757319", "U-18,409AE", "U-18409AE", "Trobicin", "Spectinomycin hydrochloride", "Spectinomycin hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989769", "category": ["biolink:ChemicalEntity"], "name": "NEOMYCIN SULFATE", "synonym": ["Neomycin sulfate", "Neomycin sulfate", "Fradiomycin sulfate", "Neomycin b sulfate", "Biosol", "Bykomycin", "Endomixin", "Framycetin sulfate", "Framycetin sulphate", "Fraquinol", "Myacine", "Neobrettin", "Neomix", "Neomycin b sulphate", "Neomycin b, sulfate (salt)", "Neomycin b, sulphate (salt)", "Neomycin sulfate", "Neosulf", "Soframycin", "Tuttomycin", "NSC-757240", "Biomydrin", "Cicatrene", "Cicatrin", "Gppe nsl gel", "Graneodin", "Mycifradin", "Myciguent", "Naseptin", "Neo-fradin", "Neo-rx", "Neobacrin", "Neobiotic", "Neomycin sulfate", "Neomycin sulfate component of cortisporin", "Neomycin sulfate component of maxitrol", "Neomycin sulfate component of neodecadron", "Neomycin sulfate component of neosporin", "Neomycin sulfate component of statrol", "Neosporin", "Nivemycin", "Tribiotic", "Vibrocil", "Neomycin sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200688", "category": ["biolink:ChemicalEntity"], "name": "ERYTHROMYCIN ETHYLSUCCINATE", "xref": ["InChIKey:NSYZCCDSJNWWJL-YXOIYICCSA-N", "SMILES:CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C"], "synonym": ["Erythromycin ethylsuccinate", "Erythromycin ethylsuccinate", "Erythromycin ethylsuccinate", "Erythromycin ethylsuccinate", "NSC-756758", "Anamycin", "Arpimycin", "E-mycin e", "E.e.s.", "E.e.s. 200", "E.e.s. 400", "Eritrocina", "Eryliquid", "Erymin", "Eryped", "Erythroden", "Erythromycin ethylsuccinate", "Erythromycin ethylsuccinate component of eryzole", "Erythromycin ethylsuccinate component of pediazole", "Erythroped", "Erythroped a", "Erythroped fte", "Erythroped fte sf", "Erythroped pi", "Erythroped pi sf", "Erythroped sf", "Esinol", "Pediamycin", "Pediamycin 400", "Primacine", "Refkas", "Rommix 125", "Wyamycin", "Wyamycin e", "Sterile erythromycin ethylsuccinate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1741", "category": ["biolink:ChemicalEntity"], "name": "CLARITHROMYCIN", "xref": ["InChIKey:AGOYDEPGAOXOCK-KCBOHYOISA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"], "synonym": ["Clarithromycin", "Clarithromycin", "Clarithromycin", "Clarithromycin", "Clarithromycine", "Claritromicina", "Clarithromycin", "6-o-methylerythromycin", "Clarithromycin", "Cyllind", "Erythromycin, 6-o-methyl-", "Klacid", "Macladin", "Mavid", "Veclam", "A-56268", "ABBOTT-56268", "NSC-758704", "TE-031", "Biaxin", "Biaxin xl", "Biaxin xl pac", "Clarie xl", "Clarithromycin", "Clarithromycin component of prevpac", "Clarithromycin extended release", "Clarosip", "Febzin xl", "Klaricid", "Klaricid 500", "Klaricid adult", "Klaricid i.v.", "Klaricid paed", "Klaricid xl", "Mycifor xl", "Naxy", "Xetinin xl", "Zeclar", "Clarithromycin identity"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL529", "category": ["biolink:ChemicalEntity"], "name": "AZITHROMYCIN", "xref": ["InChIKey:MQTOSJVFKKJCRP-BICOPXKESA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"], "synonym": ["Azithromycin", "Azithromycin", "Azithromycin", "Azithromycin", "Azithromycin dihydrate", "Azithromycin", "Azithromycine", "Azitromicina", "Azithromycin hydrate", "Azithromycin", "Azithromycin dihydrate", "Anhydrous azithromycin", "Aruzilina", "Aziromycin", "Azithrocin", "Azithromycin", "Azithromycin (as dihydrate)", "Azithromycin anhydrous", "Azithromycin dihydrate", "Azithromycin hydrate", "Azithromycin, unspecified", "Azithromycin, unspecified form", "Aziwin", "Durasite", "Hemomycin", "Macrozit", "Sumamed", "Trozocina", "Xithrone", "Zithromac", "Zythromax", "CP 62993", "CP-62,993", "CP-62993", "NSC-758625", "XZ 405", "XZ 450", "XZ-450", "Azasite", "Azithromycin", "Azyter", "Clamelle", "Sunamed", "Zithromax", "Azithromycin", "Azithromycin", "Azithromycin dihydrate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201438", "category": ["biolink:ChemicalEntity"], "name": "ALDESLEUKIN", "synonym": ["Aldesleukin", "Aldesleukin", "Aldesleukin", "Aldesleukin", "Aldesleukin", "Aldesleukine", "Aldesleukina", "Interleukin-2 aldesleukin", "Aldesleukin", "Human interleukin-2", "Human interleukin-2 125-serine", "Il2 (2-133) c125s", "Ilt-101", "Ilt-101 (low dose il-2)", "Interleukin 2", "Interleukin-2", "Interleukin-2(2-133),125-ser", "Recombinant interleukin-2 human", "ILT-101", "Proleukin", "Aldesleukin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364167", "category": ["biolink:MacromolecularComplex"], "name": "Interleukin-2 receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201605", "category": ["biolink:ChemicalEntity"], "name": "DACLIZUMAB", "synonym": ["Daclizumab", "Daclizumab", "Daclizumab", "Daclizumab", "Daclizumab beta", "Daclizumab", "Daclizumab", "Daclizumab beta", "Daclizumab", "Daclizumab", "Daclizumab beta", "RO 24-7375", "RO-24-7375", "Zenapax", "Zinbryta", "Daclizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201439", "category": ["biolink:ChemicalEntity"], "name": "BASILIXIMAB", "synonym": ["Basiliximab", "Basiliximab", "Basiliximab", "Basiliximab", "Basiliximab", "Basiliximab", "Basiliximab", "Basiliximab", "Basiliximab", "CHI-621", "SDZ-CHI-621", "SDZCHI621", "Simulect", "Basiliximab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201608", "category": ["biolink:ChemicalEntity"], "name": "MUROMONAB-CD3", "synonym": ["Muromonab-cd3", "Muromonab-cd3", "Muromonab-cd3", "Muromonab-cd3", "Muromonab cd3", "Anticd3", "Macs gmp cd3 pure", "Muromomab", "Muromonab", "Muromonab-cd3", "L04AA02", "OKT-3", "OKT3", "Orthoclone okt3", "Muromonab-cd3"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364168", "category": ["biolink:MacromolecularComplex"], "name": "T cell surface glycoprotein CD3"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201670", "category": ["biolink:ChemicalEntity"], "name": "SARGRAMOSTIM", "synonym": ["Sargramostim", "Sargramostim", "Sargramostim", "Sargramostim", "Sargramostim", "Granulocyte-macrophage colony-stimulating factor sargramostim", "Sargramostim", "Sargramostim rdna", "B1 61.012", "B1-61012", "RHU GM-CSF", "RHU-GM-CSF", "Leukine", "Sargramostim", "Sargramostim"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364169", "category": ["biolink:MacromolecularComplex"], "name": "Granulocyte-macrophage colony-stimulating factor receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109047", "category": ["biolink:ChemicalEntity"], "name": "INTERFERON ALFA-N3", "synonym": ["Interferon alfa-n3", ".alpha.-interferons", "Alferon", "Alferon n", "Interferon alfa-n3", "Interferon alpha-n3", "Leukocyte interferon", "Interferon alfa-n3"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364170", "category": ["biolink:MacromolecularComplex"], "name": "Interferon alpha/beta receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108508", "category": ["biolink:ChemicalEntity"], "name": "INTERFERON ALFA-2A", "synonym": ["Interferon alfa-2a", "Interferon alfa-2a", "Recombinant human interferon-alfa-2a", "Interferon alfa-2a", "Interferon alfa-2a", "Interferon alfa-2a (genetical recombination)", "Interferon alfa-2a", "INTERFERON ALFA-2A", "RO 22-8181", "RO-22-8181", "RO-228181", "Alpheon", "Canferon", "Canferon a", "Cha-ifnalpha2a", "Roferon a", "Roferon-a", "Interferon alfa-2a"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201558", "category": ["biolink:ChemicalEntity"], "name": "INTERFERON ALFA-2B", "synonym": ["Interferon alfa-2b", "Interferon alfa-2b", "Interferon alfa-2b", "Interferon alfa-2b", "Interferon alfa-2b", "Interferon alfa-2b", "Interferon alfa-2b", "SCH 30500", "SCH-30500", "SCH30500", "Intron a", "Intron a hsa-free", "Intron-a", "Introna", "Locteron", "Viraferon", "Interferon alfa-2b"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201562", "category": ["biolink:ChemicalEntity"], "name": "INTERFERON BETA-1A", "synonym": ["Interferon beta-1a", "Interferon beta-1a", "Interferon beta-1a", "Interferon beta-1a", "Interferon beta-1a", "Interferon beta-1a", "Interferon beta-1a", "Sng001", "SNG-001", "SNG001", "Avonex", "Cinnovex", "Interferon beta-1a (avonex)", "Interferon beta-1a (rebif)", "Neoferon", "Rebif", "Interferon beta-1a", "Interferon beta-1a"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201560", "category": ["biolink:ChemicalEntity"], "name": "PEGINTERFERON ALFA-2A", "synonym": ["Peginterferon alfa-2a", "Peginterferon alfa-2a", "Peginterferon alfa-2a", "Peginterferon alfa-2a", "Peginterferon alfa-2a", "Peginterferon alfa-2a", "Peginterferon alfa-2a", "Peg-interferon alfa 2a", "Peg-interferon alfa-2a", "Peginterferon .alpha.-2a", "Peginterferon alfa", "Peginterferon alfa-2a", "Peginterferon-alfa-2a", "Pegyinterferon-alfa-2a", "Pegylated interferon alfa-2a", "Pegylated interferon alpha 2a", "Pegylated-interferon alfa 2a", "Pegylated-interferon-alfa-2a", "RO 25-8310/000", "RO-25-8310/000", "RO-258310000", "Pegasys", "Peginterferon alfa-2a component of peginterferon", "Peginterferon alfa-2a"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201561", "category": ["biolink:ChemicalEntity"], "name": "PEGINTERFERON ALFA-2B", "synonym": ["Peginterferon alfa-2b", "Peginterferon alfa-2b", "Peginterferon alfa-2b", "Peginterferon alfa-2b", "Peginterferon alfa-2b", "Peginterferon alfa-2b", "Peginterferon alfa-2b", "Peg-interferon alfa-2b", "Pegifn alfa-2b", "Peginterferon alfa-2b", "Peginterferon-alfa-2b", "Pegylated interferon alpha 2b", "Sylatron", "Peg-intron", "Peginterferon alfa-2b component of sylatron", "Pegintron", "Viraferonpeg", "Peginterferon alfa-2b"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201563", "category": ["biolink:ChemicalEntity"], "name": "INTERFERON BETA-1B", "synonym": ["Interferon beta-1b", "Interferon beta-1b", "Interferon beta-1b", "Interferon beta-1b", "Interferon beta-1b", "Interferon beta-1b", "Interferon beta-1b", "BAY 86-5046", "BAY-86-5046", "Betaferon", "Betaseron", "Extavia", "Interferon beta-1b"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201557", "category": ["biolink:ChemicalEntity"], "name": "INTERFERON ALFACON-1", "synonym": ["Interferon alfacon-1", "Interferon alfacon-1", "Interferon alfacon-1", "Interferon alfacon-1", "Interferon alfacon-1", "Interferon alfacon-1", "Interferon alfacon-1", "Rsifn-co", "R-SIFN-CO", "RSIFNCO", "Infergen", "Interferon alfacon-1"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201564", "category": ["biolink:ChemicalEntity"], "name": "INTERFERON GAMMA-1B", "synonym": ["Interferon gamma", "Interferon gamma-1b", "Interferon gamma", "Interferon gamma-1b", "Interferon gamma", "Interferon gamma-1b", "Interferon .gamma.-1b", "Interferon gamma-1b", "Interferon-.gamma.", "Ifn-.gamma.", "Ifn-.gamma.1b", "Imifn", "Immune ifn", "Interferon gamma-1b", "Interferon gamma-1b, recombinant", "Interferon gamma-1b,recomb.", "Interferon gamma-2a", "Interferon-.gamma.", "Interferon-.gamma. (human)", "Actimmune", "Immukin", "Interferon gamma-1b"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364171", "category": ["biolink:MacromolecularComplex"], "name": "Interferon gamma receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL267345", "category": ["biolink:ChemicalEntity"], "name": "AMPHOTERICIN B", "xref": ["InChIKey:APKFDSVGJQXUKY-INPOYWNPSA-N", "SMILES:C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O"], "synonym": ["Amphotericin b", "Amphotericin", "Amphotericin b", "Amphotericin b", "Amphotericine b", "Amfotericina b", "Amphotericin b", "Amphotericin b lipid complex", "Amphotericin b liposomal complex", "Abelcet, liposomal amphotericin b", "Ambil", "Amphotericin b", "Amphotericin b deoxycholate", "Amphotericin b liposomal", "Amphotericin b liposome", "Amphotericin b, liposome", "Amphotericinum b", "Amphotocerin", "Halizon", "NSC-527017", "Abelcet", "Ambisome", "Amophotericin b", "Ampho-moronal", "Amphotec", "Amphotercin b", "Amphotericin b", "Amphotericitin b", "Amphotreicin b", "Ampotericin b", "Fungilin", "Fungilin in orabase", "Fungizone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364028", "category": ["biolink:SmallMolecule"], "name": "Ergosterol"}
{"id": "CHEMBL.COMPOUND:CHEMBL5465559", "category": ["biolink:ChemicalEntity"], "name": "NYSTATIN", "synonym": ["Nystatin", "Nystatin", "Nystatin", "Nystatin", "Nystatine", "Nistatina", "Nystatin", "L-nystatin", "Mikostatin", "Nystatin", "Nystatinum", "Terrastatin", "NSC-150817", "Barstatin 100", "Candex", "Infestat", "Korostatin", "Multilind", "Mycostatin", "Mykinac", "Nilstat", "Nysert", "Nyspes", "Nystaform", "Nystan triple pack", "Nystatin", "Nystatin component of mycolog", "Nystatin component of mykacet", "Nystatin component of mytrex f", "Nystatin component of nystaform", "Nystavescent", "Nystex", "Nystop", "Tinaderm m"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200656", "category": ["biolink:ChemicalEntity"], "name": "NATAMYCIN", "xref": ["InChIKey:NCXMLFZGDNKEPB-FFPOYIOWSA-N", "SMILES:C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O"], "synonym": ["Natamycin", "Natamycin", "Natamycin", "E235", "Natamycin", "Natamycin", "Natamycine", "Natamicina", "Pimaricin", "Natamycin", "Delvocid", "Mycophyt", "Myprozine", "Natamycin", "Pimaracin", "Pimaricin", "Synogil", "Tennecetin", "ANTIBIOTIC A-5283", "CL 12,625", "CL-12625", "E-235", "INS NO.235", "INS-235", "NSC-759167", "Natacyn", "Pimafucin", "Natamycin", "Natamycin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201073", "category": ["biolink:ChemicalEntity"], "name": "SUCCIMER", "xref": ["InChIKey:ACTRVOBWPAIOHC-XIXRPRMCSA-N", "SMILES:O=C(O)[C@@H](S)[C@@H](S)C(=O)O"], "synonym": ["Succimer", "Succimer", "Succimer", "Succimero", "Succimer", "Meso-2,3-dimercaptosuccinic acid", "Succimer", "DIM-SA", "DMS-A", "DMSA", "RO 1-7977", "Chemet", "Succimer"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364029", "category": ["biolink:MolecularEntity"], "name": "Lead"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989529", "category": ["biolink:ChemicalEntity"], "name": "ETHANOLAMINE OLEATE", "xref": ["InChIKey:KGWDUNBJIMUFAP-KVVVOXFISA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)O.NCCO"], "synonym": ["Ethanolamine oleate", "Ethanolamine oleate", "Ethanolamine oleate", "Ethanolamine oleate", "NSC-760382", "Ethamolin", "Oldamin", "Ethanolamine oleate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364030", "category": ["biolink:MolecularEntity"], "name": "Calcium"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201441", "category": ["biolink:ChemicalEntity"], "name": "COLISTIMETHATE SODIUM", "synonym": ["Colistimethate sodium", "Colistimethate sodium", "Colistimethate sodium", "Colistimethate sodium", "Colistimethate sodium", "Colistimethate sodique", "Colistimetato de sodio", "Colistin sodium methanesulfonate", "Colistin sodium methanesulfonate", "Alficetin", "Cms", "Colimicina", "Colimycin", "Colimycine", "Colistimethate sodium", "Colistin methanesulfonate", "Colistin methanesulfonate sodium", "Colistin sodium methanesulphonate", "Colistin sulphomethate", "Colomycin", "Methacolimycin", "Sodium colistimethate", "NSC-756688", "W 1929", "Colistimethate sodium", "Colobreathe", "Coly-mycin", "Promixin", "Colistimethate sodium", "Colistimethate sodium"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364031", "category": ["biolink:CellularComponent"], "name": "Cell membrane"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201469", "category": ["biolink:ChemicalEntity"], "name": "GRAMICIDIN", "synonym": ["Gramicidin", "Gramicidin", "Gramicidin", "Gramicidine", "Gramicidina", "Gramicidins", "Gramicidin", "Gramicidin d", "NSC-757043", "Gramicidin component of neo-polycin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL387675", "category": ["biolink:ChemicalEntity"], "name": "DAPTOMYCIN", "xref": ["InChIKey:DOAKLVKFURWEDJ-RWDRXURGSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C"], "synonym": ["Daptomycin", "Daptomycin", "Daptomycin", "Daptomycin", "Daptomycin", "Daptomycin", "Daptomycine", "Daptomicina", "Daptomycin", "Daptomycin", "Cidecin", "Dapcin", "Daptomycin", "Dapzura rt", "LY 146032", "LY-146032", "LY-164032", "Cubicin", "Cubicin rf", "Daptomycin", "Daptomycin hospira", "Dapzura rt", "Daptomycin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297088", "category": ["biolink:ChemicalEntity"], "name": "CHLORHEXIDINE GLUCONATE", "xref": ["InChIKey:YZIYKJHYYHPJIB-UUPCJSQJSA-N", "SMILES:N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"], "synonym": ["Chlohexidine gluconate", "Chlorhexidine gluconate", "Chlorhexidine gluconate", "Chlorhexidine gluconate", "Chlorhexidine d-digluconate", "Chlorhexidine digluconate", "Chlorhexidine gluconate", "NSC-753971", "Acriflex", "Aerocide 1", "Bacticlens", "Bioscrub", "Brian care", "Cepton", "Cetriclens", "Cetriclens fte", "Chg scrub", "Chloraprep", "Chlorhex glucon", "Chlorhexidine gluconate", "Chlorhexidine gluconate component of avagard", "Chlorhexidine gluconate component of chloraprep", "Chlorhexidine gluconate component of soluprep", "Cida-stat", "Clinivex", "Corsodyl", "Corsodyl daily", "Corsodyl daily defence", "Curasept", "Cx 1", "Cyteal", "Dispray 1", "Dispray 2", "Dyna-hex", "E-z scrub", "Eczmol", "Exidine", "Gppe soln", "Gppe tinct", "Gppe wsh", "Hibi", "Hibicet", "Hibiclens", "Hibidil", "Hibiscrub", "Hibispray", "Hibistat", "Hibitane plus", "Hydrex", "Microderm", "Paroex", "Peridex", "Perio-kin", "Periochip", "Periogard", "Pharmaseal scrub care", "Phiso-med", "Prevacare", "Prevacare r", "Primahex", "Readyprep chg", "Rotersept", "Savloclens", "Savlodil", "Savlon hc", "Savlon jnr", "Sterets tisept", "Sterets uniscrub", "Sterets unisept", "Sterexidine", "Steri-stat", "Tarodent", "Tisept", "Uriflex-c", "Chlorhexidine gluconate", "Chlorhexidine gluconate"], "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301680", "category": ["biolink:ChemicalEntity"], "name": "TELAVANCIN HYDROCHLORIDE", "xref": ["InChIKey:GSSIWSIRBWAZHG-ACOPVEIWSA-N", "SMILES:CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O.Cl"], "synonym": ["Telavancin hydrochloride", "Telavancin hydrochloride", "Telavancin hcl", "Televancin hydrochloride", "TD-6424", "Vibativ", "Telavancin hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364032", "category": ["biolink:CellularComponent"], "name": "Cell outer membrane"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067482", "category": ["biolink:ChemicalEntity"], "name": "COLISTIN SULFATE", "synonym": ["Colistin sulfate", "Colistin sulphate", "Colistin sulfate", "Belcomycin", "Belcomycine", "Colimycin sulfate", "Colimycin sulphate", "Colistins sulfate", "Colistins sulphate", "Polymixin e sulfate", "Polymixin e sulphate", "NSC-759273", "Cantrex", "Colistin sulfate component of coly-mycin s", "Coly-mycin s", "Kannasyn", "Kantrim"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314355", "category": ["biolink:ChemicalEntity"], "name": "POLYMYXIN B SULFATE", "synonym": ["Polymyxin b sulfate", "Polymyxin b sulphate", "Polymyxin b sulfate", "Polymixin b sulfate", "Polymyxin b sulfate", "Polymixin b sulfate", "Polymixin b sulphate", "Polymyxin b sulfate", "Polymyxin b, sulfate", "Polymyxin b, sulphate", "NSC-757278", "Aerosporin", "Gppe pdr ster", "Poly-rx", "Polyfax", "Polymycin b sulfate", "Polymyxin b sulfate", "Polymyxin b sulfate component of chloromyxin", "Polymyxin b sulfate component of cortisporin", "Polymyxin b sulfate component of dexacidin", "Polymyxin b sulfate component of dexasporin", "Polymyxin b sulfate component of lanabiotic", "Polymyxin b sulfate component of maxitrol", "Polymyxin b sulfate component of mycitracin", "Polymyxin b sulfate component of neo-polycin", "Polymyxin b sulfate component of neosporin", "Polymyxin b sulfate component of ocumycin", "Polymyxin b sulfate component of ophthocort", "Polymyxin b sulfate component of oticair", "Polymyxin b sulfate component of otobione", "Polymyxin b sulfate component of otobiotic", "Polymyxin b sulfate component of otocort", "Polymyxin b sulfate component of pediotic", "Polymyxin b sulfate component of poly-pred", "Polymyxin b sulfate component of polysporin", "Polymyxin b sulfate component of polytrim", "Polymyxin b sulfate component of pyocidin", "Polymyxin b sulfate component of statrol"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1289", "category": ["biolink:ChemicalEntity"], "name": "HALOPROGIN", "xref": ["InChIKey:CTETYYAZBPJBHE-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)c(OCC#CI)cc1Cl"], "synonym": ["Haloprogin", "Haloprogin", "Haloprogin", "Haloprogin", "Haloprogine", "Haloprogina", "Haloprogin", "M-1028", "M-1028 (MEIJI)", "NSC-100071", "Halotex", "Mycanden", "Haloprogin", "Haloprogin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364033", "category": ["biolink:CellularComponent"], "name": "Cell membrane"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067990", "category": ["biolink:ChemicalEntity"], "name": "CANDICIDIN", "synonym": ["Candicidin", "Candicidin", "Candicidin", "Candicidin", "Levorin", "Candicidine", "Levorine", "Candicidina", "Levorina", "G01AA04", "NSC-759868", "NSC-94219", "Vanobid", "Candicidin", "Candicidin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364035", "category": ["biolink:CellularComponent"], "name": "Cell membrane"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200558", "category": ["biolink:ChemicalEntity"], "name": "BACITRACIN", "xref": ["InChIKey:CLKOFPXJLQSYAH-ABRJDSQDSA-N", "SMILES:CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1"], "synonym": ["Bacitracin", "E700", "Bacitracin", "Bacitracin", "Bacitracine", "Bacitracina", "Bacitracin", "Bacilliquin", "Bacitracin", "Bacitracin(non-injectable)", "Bacitracin, sterile", "Bacitracinum", "Fortracin", "Parentracin", "Penitracin", "Topitracin", "Tropitracin", "Zutracin", "NSC-755905", "Albac 50", "Baci-rx", "Baciferm 50", "Baciguent", "Baciim", "Bacitracin", "Bacitracin component of lanabiotic", "Bacitracin component of mycitracin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364036", "category": ["biolink:SmallMolecule"], "name": "C55-isoprenyl pyrophosphate"}
{"id": "CHEMBL.COMPOUND:CHEMBL2096639", "category": ["biolink:ChemicalEntity"], "name": "BACITRACIN ZINC", "xref": ["InChIKey:UCRLQOPRDMGYOA-DFTDUNEMSA-L", "SMILES:CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1.[Zn+2]"], "synonym": ["Bacitracin zinc", "Bacifarmin", "Bacitracins zinc complex", "Bacitracins, zinc complex", "Bacitracinum zincum", "Noptracin", "Zinc bacitracin", "Bacitracin zinc component of cortisporin", "Bacitracin zinc component of lanabiotic", "Bacitracin zinc component of neo-polycin", "Bacitracin zinc component of ocumycin", "Bacitracin zinc component of polysporin", "Ziba-rx"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200577", "category": ["biolink:ChemicalEntity"], "name": "CYSTEAMINE BITARTRATE", "xref": ["InChIKey:NSKJTUFFDRENDM-ZVGUSBNCSA-N", "SMILES:NCCS.O=C(O)[C@H](O)[C@@H](O)C(=O)O"], "synonym": ["Cysteamine bitartrate", "Mercaptamine bitartrate", "Cysteamine bitartrate", "Cysteamine bitartrate", "Cysteamine bitartrate", "Cysteamine bitartrate", "Mercamine bitartrate", "Mercaptamine bitartrate", "RP-103", "Cystagon", "Procysbi"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364039", "category": ["biolink:SmallMolecule"], "name": "Cystine"}
{"id": "CHEMBL.COMPOUND:CHEMBL1256137", "category": ["biolink:ChemicalEntity"], "name": "CYSTEAMINE HYDROCHLORIDE", "xref": ["InChIKey:OGMADIBCHLQMIP-UHFFFAOYSA-N", "SMILES:Cl.NCCS"], "synonym": ["Cysteamine hydrochloride", "Cysteamine hydrochloride", "Cysteamine hcl", "Cysteamine hydrochloride", "Mercaptamine hydrochloride", "CI-9148", "NSC-21116", "NSC-25116", "NSC-758692", "Cystadrops", "Cystaran", "Cysteamine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL137", "category": ["biolink:ChemicalEntity"], "name": "METRONIDAZOLE", "xref": ["InChIKey:VAOCPAMSLUNLGC-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCO"], "synonym": ["Metronidazole", "Metronidazole", "Metronidazole", "Metronidazole", "Metronidazole", "Metronidazol", "Metronidazole", "Metronidazole", "Deflamon", "Gineflavir", "Likmez", "Metronidazole", "Orvagil", "BAY-5360", "BAYER 5360", "BAYER-5360", "NSC-50364", "NSC-69587", "RP 8823", "RP-8823", "Acea", "Anabact", "Drazifon", "Elyzol", "Flagyl", "Flagyl 375", "Flagyl compak", "Flagyl er", "Flagyl-400", "Flagyl-s", "Likmez", "Metric 21", "Metro i.v.", "Metro iv", "Metrocream", "Metrogel", "Metrogel-vaginal", "Metrolotion", "Metrolyl", "Metromidol", "Metronidazole", "Metronidazole component of helidac", "Metronidazole component of pylera", "Metrosa", "Metrotop", "Neutratop", "Noritate", "Norzol", "Nuvessa", "Protostat", "Rosiced", "Rozex", "Satric", "Vaginyl", "Vandazole", "Zadstat", "Zidoval", "Zyomet", "Metronidazole", "Metronidazole"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364041", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL64894", "category": ["biolink:ChemicalEntity"], "name": "GENTIAN VIOLET", "xref": ["InChIKey:ZXJXZNDDNMQXFV-UHFFFAOYSA-M", "SMILES:CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]"], "synonym": ["Crystal violet", "Gentian violet", "Methylrosanilinium chloride", "Chlorure de methylrosanilinium", "Cloruro de metilrosanilina", "Gentian violet", "Basic violet 1", "Basic violet 3", "C.i. 42535", "C.i. basic violet 1", "C.i. basic violet 3", "Ci 42535", "Gentian violet", "Lowacryl violet 1", "Methyl violet 10b", "Methylrosanilinii chloridum", "Methylrosanilinium chloride", "GNF-Pf-880", "NSC-3090", "Genapax", "Gv 11", "Gvs", "Methylrosaniline cl", "Methylrosanilinium cl", "Pyoktanin", "Viocid"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200869", "category": ["biolink:ChemicalEntity"], "name": "METRONIDAZOLE HYDROCHLORIDE", "xref": ["InChIKey:FPTPAIQTXYFGJC-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCO.Cl"], "synonym": ["Metronidazole hydrochloride", "Metronidazole hydrochloride", "Metronidazole hcl", "Metronidazole hydrochloride", "SC-32642", "Flagyl i.v.", "Metronidazole hydrochloride", "Metronidazole hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201104", "category": ["biolink:ChemicalEntity"], "name": "METHENAMINE HIPPURATE", "xref": ["InChIKey:ROAIXOJGRFKICW-UHFFFAOYSA-N", "SMILES:C1N2CN3CN1CN(C2)C3.O=C(O)CNC(=O)c1ccccc1"], "synonym": ["Methenamine hippurate", "Methenamine hippurate", "Methenamine hippurate", "Methenamine hippurate", "Methenamine hippurate", "Hexamine hippurate", "Methenamine hippurate", "Hiprex", "Methenamine hippurate", "Urex", "Methenamine hippurate", "Methenamine hippurate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL869", "category": ["biolink:ChemicalEntity"], "name": "NITROFURAZONE", "xref": ["InChIKey:IAIWVQXQOWNYOU-FPYGCLRLSA-N", "SMILES:NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1"], "synonym": ["Nitrofural", "Nitrofurazone", "Nitrofurazone", "Nitrofural", "Nitrofurazone", "Nitrofural", "Nitrofurazone", "NSC-1602", "NSC-2100", "Actin-n", "Furacin", "Furacine", "Nitrofurazone"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1103", "category": ["biolink:ChemicalEntity"], "name": "FURAZOLIDONE", "xref": ["InChIKey:PLHJDBGFXBMTGZ-WEVVVXLNSA-N", "SMILES:O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1"], "synonym": ["Furazolidone", "Furazolidone", "Furazolidone", "Furazolidone", "Furazolidona", "Furazolidone", "Furazolidone", "NSC-6469", "Furall", "Furoxone"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200596", "category": ["biolink:ChemicalEntity"], "name": "CHLOROXINE", "xref": ["InChIKey:WDFKMLRRRCGAKS-UHFFFAOYSA-N", "SMILES:Oc1c(Cl)cc(Cl)c2cccnc12"], "synonym": ["Chloroxine", "Chloroxine", "NSC-3904", "Capitrol", "Chloroxine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201000", "category": ["biolink:ChemicalEntity"], "name": "NITROFURANTOIN SODIUM", "xref": ["InChIKey:AFDJQFFKYDCYIG-JSGFVSQVSA-M", "SMILES:O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)[N-]1.[Na+]"], "synonym": ["Nitrofurantoin sodium", "Sodium nitrofurantoin", "Ivadantin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL572", "category": ["biolink:ChemicalEntity"], "name": "NITROFURANTOIN", "xref": ["InChIKey:NXFQHRVNIOXGAQ-YCRREMRBSA-N", "SMILES:O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1"], "synonym": ["Nitrofurantoin", "Nitrofurantoin", "Nitrofurantoin", "Nitrofurantoin, macrocrystalline", "Nitrofurantoin", "Nitrofurantoine", "Nitrofurantoina", "Nitrofurantoin", "Nitrofurantoin", "Nitrofurantoin anhydrous", "Nitrofurantoin macrocrystal", "Nitrofurantoin, macrocrystals", "Nitrofurantoinum anhydrous", "NSC-2107", "NSC-44150", "Berkfurin", "Ceduran", "Dantafur", "Furadantin", "Furalan", "Genfura", "Macrobid", "Macrodantin", "Nitrofurantoin", "Nitrofurantoin (monohydrate/macrocrystals)", "Nitrofurantoin component of macrobid", "Nitrofurantoin component of macrobid  , macrocrystalline", "Nitrofurantoin macrocrystalline"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1658", "category": ["biolink:ChemicalEntity"], "name": "RETAPAMULIN", "xref": ["InChIKey:STZYTFJPGGDRJD-NHUWBDDWSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@H]3CC[C@@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"], "synonym": ["Retapamulin", "Retapamulin", "Retapamulin", "Retapamulin", "Retapamulin", "Retapamuline", "Retapamulina", "Retapamulin", "Retapamulin", "Sb 275833", "NSC-759885", "SB-275833", "SB275833", "Altabax", "Altargo", "Retapamulin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364096", "category": ["biolink:MacromolecularComplex"], "name": "70S ribosome"}
{"id": "CHEMBL.TARGET:CHEMBL2364103", "category": ["biolink:MacromolecularComplex"], "name": "70S ribosome"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201835", "category": ["biolink:ChemicalEntity"], "name": "USTEKINUMAB", "synonym": ["Ustekinumab", "Ustekinumab", "Ustekinumab", "Ustekinumab", "Ustekinumab", "Ustekinumab", "Pyzchiva", "Selarsdi", "Ustekinumab", "Ustekinumab-aekn", "Ustekinumab-ttwe", "CNTO 1275", "CNTO-1275", "TT-20", "Stelara", "Stelera", "Uzpruvo", "Wezenla", "Ustekinumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364153", "category": ["biolink:MacromolecularComplex"], "name": "Interleukin-12"}
{"id": "CHEMBL.TARGET:CHEMBL2364154", "category": ["biolink:MacromolecularComplex"], "name": "Interleukin-23"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237022", "category": ["biolink:ChemicalEntity"], "name": "TOCILIZUMAB", "synonym": ["Tocilizumab", "Tocilizumab", "Tocilizumab", "Tocilizumab", "Tocilizumab", "Tocilizumab", "Actemra", "Bat1806", "Biib800", "Tocilizumab", "Tocilizumab biosimilar (bat-1806)", "Tocilizumab biosimilar (msb11456)", "Tocilizumab biosimilar (rgb-19)", "Tocilizumab-aazg", "Tocilizumab-bavi", "Tofidence", "Tyenne", "ATLIZUMAB", "BAT-1806", "BAT1806", "BIIB-800", "MRA", "MSB-11456", "MSB11456", "R-1569", "RG-1569", "RGB-19", "RGB19", "RHPM-1", "RO-4877533", "Actemra roactemra", "Roactemra", "Tofidence", "Tyenne", "Tocilizumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Interleukin-6 receptor subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL2364155"], "id": "UniProtKB:P08887", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105700", "category": ["biolink:ChemicalEntity"], "name": "BEDAQUILINE FUMARATE", "xref": ["InChIKey:ZLVSPMRFRHMMOY-WWCCMVHESA-N", "SMILES:COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12.O=C(O)/C=C/C(=O)O"], "synonym": ["Bedaquiline fumarate", "Bedaquiline fumarate", "R-403323", "R403323", "Sirturo", "Bedaquiline fumarate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364166", "category": ["biolink:MacromolecularComplex"], "name": "ATP synthase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201431", "category": ["biolink:ChemicalEntity"], "name": "DORNASE ALFA", "synonym": ["Dornase alfa (desoxyribonuclease)", "Dornase alfa", "Dornase alfa", "Dornase alfa", "Dornase alfa", "Dornasa alfa", "Dornase alfa", "Dornase alfa", "Dornase alfa", "Dornase alfa, rdna", "Dornase alfa, recombinant", "Dornase alfa,rdna", "Dornase alpha", "Human dnase-1", "Pulmozyme", "Dornase alfa"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2311221", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201459", "category": ["biolink:ChemicalEntity"], "name": "DESOXYRIBONUCLEASE", "synonym": ["Desoxyribonuclease", "Deoxyribonuclease", "Deoxyribonuclease i", "Deoxyribonuclease i bovine", "Deoxyribonuclease, bovine", "Dinase", "Dornavac", "Pancreatic dornase", "Deanase"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201734", "category": ["biolink:ChemicalEntity"], "name": "BENDAMUSTINE HYDROCHLORIDE", "xref": ["InChIKey:ZHSKUOZOLHMKEA-UHFFFAOYSA-N", "SMILES:Cl.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21"], "synonym": ["Bendamustine hydrochloride", "Bendamustine hydrochloride", "Bendamustine hydrochloride", "Bendamustine hcl", "Bendamustine hydrochloride", "Ribomustin", "Vivimusta", "NSC-138783", "SDX-105", "SYB L-0501", "SYBL-0501", "Belrapzo", "Bendamustine hydrochloride", "Bendeka", "Ribomustine", "Treanda", "Vivimusta", "Bendamustine hydrochloride", "Bendamustine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1554", "category": ["biolink:ChemicalEntity"], "name": "DACTINOMYCIN", "xref": ["InChIKey:RJURFGZVJUQBHK-IIXSONLDSA-N", "SMILES:Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O"], "synonym": ["Dactinomycin", "Dactinomycin", "Dactinomycin", "Dactinomycin", "Dactinomycin", "Dactinomycine", "Dactinomicina", "Actinomycin d", "Dactinomycin", "Actinomycin c1", "Actinomycin d", "Actinomycin i1", "Actinomycin iv", "Actinomycin x1", "Actinomycin-d", "Dactinomycin", "Dactinomycinum", "Dilactone actinomycin d acid", "Meractinomycin", "Oncostatin k", "GNF-PF-2290", "GNF-Pf-1977", "NCI-C04682", "NSC-3053", "Cosmegen", "Cosmegen lyovac", "Dactinomycin", "Dactinomycin", "Dactinomycin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200796", "category": ["biolink:ChemicalEntity"], "name": "CYCLOPHOSPHAMIDE", "xref": ["InChIKey:PWOQRKCAHTVFLB-UHFFFAOYSA-N", "SMILES:O.O=P1(N(CCCl)CCCl)NCCCO1"], "synonym": ["Cyclophosphamide", "Cyclophosphamide", "Cyclophosphamide", "Cyclophosphamide hydrate", "Cyclophosphamide", "Ciclofosfamide", "Cycloblastin", "Cyclophosphamide", "Cyclophosphamide monohydrate", "Cyclophosphamidum", "Cyclophosphanum", "Cyclostin", "Cytophosphan", "Cytophosphane", "Endoxan", "Endoxan monohydrate", "Procytox", "Revimmune", "B-518", "NSC-26271", "NSC-756711", "Cyclophosphamide", "Cytoxan", "Cytoxan (lyophilized)", "Endoxana", "Lyophilized cytoxan", "Neosar"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201001", "category": ["biolink:ChemicalEntity"], "name": "MECHLORETHAMINE HYDROCHLORIDE", "xref": ["InChIKey:QZIQJVCYUQZDIR-UHFFFAOYSA-N", "SMILES:CN(CCCl)CCCl.Cl"], "synonym": ["Chlormethine hydrochloride", "Mechlorethamine hydrochloride", "Mechlorethamine hydrochloride", "Chlormethine hcl", "Chlormethine hydrochloride", "Chlormethini hydrochloridum", "Mechlorethamine hcl", "Mechlorethamine hydrochloride", "NSC-762", "Mustargen", "Valchlor"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1977579", "category": ["biolink:ChemicalEntity"], "name": "STREPTOZOCIN", "xref": ["InChIKey:AGRCPNMCOXLKFO-BDVNFPICSA-N", "SMILES:CN(N=O)C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO"], "synonym": ["Streptozocin", "Streptozocin", "Streptozocin", "Streptozocine", "Estreptozocina", "Streptozocin", "Streptozocin", "Streptozocin", "Streptozotocin", "Stz", "NSC-37917", "NSC-85998", "U-9889", "Zanosar", "Streptozocin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201112", "category": ["biolink:ChemicalEntity"], "name": "NELARABINE", "xref": ["InChIKey:IXOXBSCIXZEQEQ-UHTZMRCNSA-N", "SMILES:COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O"], "synonym": ["Nelarabine", "Nelarabine", "Nelarabine", "Nelarabine", "Nelarabine", "Nelarabine", "Nelarabina", "Nelarabine", "Nelarabine", "Attriance", "Nelarabine", "Nelzarabine", "506U", "506U78", "GW-506U78", "MAY", "NSC-686673", "NSC-755985", "NSC-759876", "Arranon", "Atriance", "Nelarabine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200981", "category": ["biolink:ChemicalEntity"], "name": "EPIRUBICIN HYDROCHLORIDE", "xref": ["InChIKey:MWWSFMDVAYGXBV-FGBSZODSSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl"], "synonym": ["Epirubicin hydrochloride", "Epirubicin hydrochloride", "Epirubicin hydrochloride", "Epirubicin hydrochloride", "Epirubicin hcl", "Epirubicin hydrochloride", "Farmorubicina", "IMI-28", "NSC-759195", "WP-697", "Ellence", "Epirubicin hydrochloride", "Pharmorubicin", "Epirubicin hydrochloride", "Epirubicin hydrochloride"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL820", "category": ["biolink:ChemicalEntity"], "name": "BUSULFAN", "xref": ["InChIKey:COVZYZSDYWQREU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)OCCCCOS(C)(=O)=O"], "synonym": ["Busulfan", "Busulfan", "Busulfan", "Busulfan", "Busulfan", "Busulfan", "Busulfano", "Busulfan", "Busulfan", "Busulfan", "Busulfanum", "Leucosulfan", "Myelosan", "Myelosanum", "Sulphabutin", "NCI-C01592", "NSC-750", "Busilvex", "Busulfan", "Busulfan fresenius kabi", "Busulfex", "Myleran", "Busulfan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL514", "category": ["biolink:ChemicalEntity"], "name": "LOMUSTINE", "xref": ["InChIKey:GQYIWUVLTXOXAJ-UHFFFAOYSA-N", "SMILES:O=NN(CCCl)C(=O)NC1CCCCC1"], "synonym": ["Lomustine", "Lomustine", "Lomustine", "Lomustine", "Lomustine", "Lomustina", "Lomustine", "Lomustine", "CCN-U", "CCNU", "NSC-79037", "Ccnu", "Ceenu", "Gleostine", "Lomustine", "Lomustine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL414804", "category": ["biolink:ChemicalEntity"], "name": "OXALIPLATIN", "synonym": ["Oxaliplatin", "Oxaliplatin", "Oxaliplatin", "Oxaliplatin", "Oxaliplatin", "Oxaliplatine", "Oxaliplatino", "Oxaliplatin", "Oxaliplatin", "Oxaliplatin", "Xaliplatin", "JM-83", "L-OHP", "MBP-426 (LIPOSOMAL OXALIPLATIN)", "NSC-266046", "RP-54780", "SR-96669", "Eloxatin", "Oxaliplatin", "Oxaliplatin component of folfox", "Oxaliplatin component of xelox", "Oxaliplatin", "Oxaliplatin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237054", "category": ["biolink:ChemicalEntity"], "name": "PLICAMYCIN", "xref": ["InChIKey:XDKMHMINQXATOR-RCFLUEAHSA-N", "SMILES:CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@@H]2C[C@@H](O)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@H](O)[C@@H](C)O1"], "synonym": ["Plicamycin", "Plicamycin", "Plicamycin", "Plicamycin", "Plicamycine", "Plicamicina", "Plicamycin", "Aureolic acid", "Mithramycin", "Mithramycin a", "Plicamycin", "A-2371", "ANTIBIOTIC LA-7017", "LA-7017", "NSC-24559", "PA-144", "Mithracin", "Plicamycin", "Plicamycin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1351", "category": ["biolink:ChemicalEntity"], "name": "CARBOPLATIN", "synonym": ["Carboplatin", "Carboplatin", "Carboplatin", "Carboplatin", "Carboplatin", "Carboplatine", "Carboplatino", "Carboplatin", "Carboplatin", "Carboplatin", "Carboplatinum", "JM-8", "NSC-201345", "NSC-241240", "Carboplatin", "Paraplatin", "Carboplatin", "Carboplatin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1488", "category": ["biolink:ChemicalEntity"], "name": "URACIL MUSTARD", "xref": ["InChIKey:IDPUKCWIGUEADI-UHFFFAOYSA-N", "SMILES:Oc1ncc(N(CCCl)CCCl)c(O)n1"], "synonym": ["Uramustine", "Uramustine", "Uracil mustard", "Uramustine", "Uramustina", "NSC-34462", "U-8344", "Uracil mustard", "Uracil mustard", "Uracil mustard"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1455", "category": ["biolink:ChemicalEntity"], "name": "ALTRETAMINE", "xref": ["InChIKey:UUVWYPNAQBNQJQ-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(N(C)C)nc(N(C)C)n1"], "synonym": ["Altretamine", "Altretamine", "Altretamine", "Altretamine", "Altretamine", "Altretamina", "Altretamine", "Altretamine", "Hexamethylmelamine", "NSC-13875", "Hexalen", "Hexastat", "Altretamine", "Altretamine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL852", "category": ["biolink:ChemicalEntity"], "name": "MELPHALAN", "xref": ["InChIKey:SGDBTWWWUNNDEQ-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O"], "synonym": ["Melphalan", "Melphalan", "Melphalan", "Melphalan", "Melphalan", "Melfalan", "Melphalan", "Melphalan", "Alanine nitrogen mustard", "L-pam", "L-phenylalanine mustard", "L-sarcolysin", "Melfalan", "Melphalan", "Phenylalanine mustard", "Sarcolycin, l-", "CB 3025", "CB-3025", "NCI-C04853", "NSC-241286", "NSC-8806", "SK 15673", "SK-15673", "Alkeran", "Melphalan", "Melphalan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL515", "category": ["biolink:ChemicalEntity"], "name": "CHLORAMBUCIL", "xref": ["InChIKey:JCKYGMPEJWAADB-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1"], "synonym": ["Chlorambucil", "Chlorambucil", "Chlorambucil", "Chlorambucil", "Clorambucilo", "Chlorambucil", "Chlorambucil", "Ambochlorin", "Chlorambucil", "Chlorambucilum", "Ecloril", "Lympholysin", "CB-1348", "NCI-3088", "NSC-3088", "Leukeran"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067493", "category": ["biolink:ChemicalEntity"], "name": "BLEOMYCIN SULFATE", "synonym": ["Bleomycin (as bleomycin sulfate)", "Bleomycin sulfate", "Bleomycin sulfate", "Bleomycins sulfate", "Bleomycin sulfate", "Bleomycin sulphate", "Bleomycini sulfas", "Blexane", "Blenoxane", "Bleomycin sulfate", "Bleomycin sulfate", "Bleomycin sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL671", "category": ["biolink:ChemicalEntity"], "name": "THIOTEPA", "xref": ["InChIKey:FOCVUCIESVLUNU-UHFFFAOYSA-N", "SMILES:S=P(N1CC1)(N1CC1)N1CC1"], "synonym": ["Thiotepa", "Thiotepa", "Thiotepa", "Thiotepa", "Thiotepa", "Thiotepa", "Tiotepa", "Thiotepa", "Thiotepa", "Tepylute", "Thiotepa", "NSC-6396", "Tepadina", "Tepylute", "Thioplex", "Thiotepa", "Thiotepa riemser", "Thiotepa"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL416", "category": ["biolink:ChemicalEntity"], "name": "METHOXSALEN", "xref": ["InChIKey:QXKHYNVANLEOEG-UHFFFAOYSA-N", "SMILES:COc1c2occc2cc2ccc(=O)oc12"], "synonym": ["Methoxsalen", "Methoxsalen", "Methoxsalen", "Methoxsalen", "8-methoxsalen", "Methoxsalen", "Metoxalen", "Oxypsoralen", "Puvalen", "Vitpso", "METHOXSALEN COMPONENT OF SM-88", "NSC-45923", "8-mop", "Deltasoralen", "Meladinine", "Methoxsalen", "Oxsoralen", "Oxsoralen-ultra", "Puvasoralen-8", "Uvadex"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1585", "category": ["biolink:ChemicalEntity"], "name": "PIPOBROMAN", "xref": ["InChIKey:NJBFOOCLYDNZJN-UHFFFAOYSA-N", "SMILES:O=C(CCBr)N1CCN(C(=O)CCBr)CC1"], "synonym": ["Pipobroman", "Pipobroman", "Pipobroman", "Pipobroman", "Pipobroman", "Pipobroman", "Pipobroman", "A-8103", "NSC-25154", "Vercyte", "Pipobroman", "Pipobroman"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL105", "category": ["biolink:ChemicalEntity"], "name": "MITOMYCIN", "xref": ["InChIKey:NWIBSHFKIJFRCO-WUDYKRTCSA-N", "SMILES:CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12"], "synonym": ["Mitomycin", "Mitomycin", "Mitomycin", "Mitomycin", "Mitomycin", "Mitomycine", "Mitomicina", "Mitomycin c", "Mitomycin c", "Ametycine", "Mitocin-c", "Mitomycin", "Mitomycin-c", "Muamycin", "Ugn-102", "NSC-26980", "UGN-101", "UGN-102", "Jelmyto", "Mitomycin", "Mitosol", "Mitozytrex", "Mutamycin", "Mytozytrex", "Mitomycin", "Mitomycin"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL810", "category": ["biolink:ChemicalEntity"], "name": "TEMOZOLOMIDE", "xref": ["InChIKey:BPEGJWRSRHCHSN-UHFFFAOYSA-N", "SMILES:Cn1nnc2c(C(N)=O)ncn2c1=O"], "synonym": ["Temozolomide", "Temozolomide", "Temozolomide", "Temozolomide", "Temozolomide", "Temozolomide", "Temozolomida", "Temozolomide", "Temozolomide", "Methazolastone", "Mk-7365", "Temozolomide", "CCRG-81045", "M&B 39831", "M&B-39831", "M-39831", "NSC-362856", "SCH 52365", "SCH-52365", "Temodal", "Temodar", "Temomedac", "Temozolomide", "Temozolomide accord", "Temozolomide hexal", "Temozolomide sandoz", "Temozolomide sun", "Temozolomide teva", "Temozolomide", "Temozolomide"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200863", "category": ["biolink:ChemicalEntity"], "name": "MELPHALAN HYDROCHLORIDE", "xref": ["InChIKey:OUUYBRCCFUEMLH-YDALLXLXSA-N", "SMILES:Cl.N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O"], "synonym": ["Melphalan hydrochloride", "Melphalan hydrochloride", "Alkeran hydrochloride", "Hepzato", "Melphalan hcl", "Melphalan hydrochloride", "Sarcolysin hydrochloride, l-", "CB 3025 HYDROCHLORIDE", "CB-3025 HYDROCHLORIDE", "Alkeran", "Evomela", "Hepzato", "Ivra", "Melphalan hydrochloride", "Phelinun", "Melphalan hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1619", "category": ["biolink:ChemicalEntity"], "name": "CLADRIBINE", "xref": ["InChIKey:PTOAARAWEBMLNO-KVQBGUIXSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1"], "synonym": ["Cladribine", "Cladribine", "Cladribine", "Cladribine", "Cladribine", "Cladribine", "Cladribina", "Cladribine", "Cladribine", "2-cda", "Cladaribine", "Cladribine", "NSC-05014", "NSC-105014", "NSC-105014-F", "RWJ 26251", "RWJ-26251", "Cladribine", "Leustat", "Leustatin", "Litak", "Mavenclad", "Cladribine", "Cladribine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL476", "category": ["biolink:ChemicalEntity"], "name": "DACARBAZINE", "xref": ["InChIKey:FDKXTQMXEQVLRF-ZHACJKMWSA-N", "SMILES:CN(C)/N=N/c1[nH]cnc1C(N)=O"], "synonym": ["Dacarbazine", "Dacarbazine", "Dacarbazine", "Dacarbazine", "Dacarbazine", "Dacarbazina", "Dacarbazine", "Dacarbazine", "Biocarbazine r", "Dacarbasine", "Dacarbazine", "Dacarbazinum", "Decarbazine", "Dicarbazine", "DIC", "DTIC", "NCI C04717", "NSC-45388", "Dacarbazine", "Dtic-dome", "Dacarbazine", "Dacarbazine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1024", "category": ["biolink:ChemicalEntity"], "name": "IFOSFAMIDE", "xref": ["InChIKey:HOMGKSMUEGBAAB-UHFFFAOYSA-N", "SMILES:O=P1(NCCCl)OCCCN1CCCl"], "synonym": ["Ifosfamide", "Ifosfamide", "Ifosfamide", "Ifosfamide", "Ifosfamide", "Ifosfamida", "Ifosfamide", "Ifosfamide", "Ifosfamide", "Isocyclophosphamide", "Isophosphamide", "MJF 9325", "MJF-9325", "NSC-109724", "Z-4942", "Z4942", "Ifex", "Ifosfamide", "Ifsofamide", "Mitoxana", "Ifosfamide", "Ifosfamide"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200410", "category": ["biolink:ChemicalEntity"], "name": "PROCARBAZINE HYDROCHLORIDE", "xref": ["InChIKey:DERJYEZSLHIUKF-UHFFFAOYSA-N", "SMILES:CNNCc1ccc(C(=O)NC(C)C)cc1.Cl"], "synonym": ["Procarbazine hydrochloride", "Procarbazine hydrochloride", "Procarbazine hydrochloride", "Procarbazine hydrochloride", "Ibenzmethyzine hydrochloride", "Procarbazine hcl", "Procarbazine hydrochloride", "Procarbazini hydrochloridum", "NCI-C 01810", "NCI-C-01810", "NSC-77213", "RO 4 6467/1", "RO 4-6467/1", "RO 4-646711", "RO-4-6467 HYDROCHLORIDE", "RO-4-6467/1", "Matulane", "Natulan", "Procarbazine hydrochloride", "Procarbazine hydrochloride"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1475", "category": ["biolink:ChemicalEntity"], "name": "TRIOXSALEN", "xref": ["InChIKey:FMHHVULEAZTJMA-UHFFFAOYSA-N", "SMILES:Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1"], "synonym": ["Trioxysalen", "Trioxsalen", "Trioxsalen", "Trioxysalen", "Trioxysalene", "Trioxisaleno", "Trioxysalen", "4,5',8-trimethylpsoralen", "Tmp (psoralen)", "Trioxsalen", "NSC-71047", "Trisoralen", "Trioxsalen", "Trioxsalen"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL11359", "category": ["biolink:ChemicalEntity"], "name": "CISPLATIN", "synonym": ["Cisplatin", "Cisplatin", "Cisplatin", "Cisplatin", "Cisplatin", "Cisplatine", "Cisplatino", "Cisplatin", "Cisplatin", "(sp-4-2)-diamminedichloroplatinum", "Cis-diamminedichloroplatinum", "Cis-diamminedichloroplatinum ii", "Cis-diamminedichloroplatinum(ii)", "Cis-platin", "Cis-platinum ii", "Cisplatin", "Cisplatinum", "Fauldiscipla", "Liplacis", "Peyrone's salt", "CIS-DDP", "CISPLATIN COMPONENT OF INT-230-6", "CISPLATIN COMPONENT OF INT230-6", "NSC-119875", "Cisplatin", "Platinol", "Platinol-aq", "Cisplatin", "Cisplatin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL803", "category": ["biolink:ChemicalEntity"], "name": "CYTARABINE", "xref": ["InChIKey:UHDGCWIWMRVCDJ-CCXZUQQUSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1"], "synonym": ["Cytarabine", "Cytarabine", "Cytarabine", "Cytarabine", "Cytarabine", "Cytarabine", "Citarabina", "Cytarabine", "Cytarabine", "Ara-c", "Ara-cytidine", "Arabinocytosine", "Arabinosyl cytosine", "Aracytidine", "Aracytin", "Aracytine", "Cytarabine", "Cytarabine liposome", "Cytarabinoside", "Cytarabinum", "Spongocytidine", "U 19920a", "NSC-287459", "U-19,920", "U-19920", "Alexan", "Alexan 100", "Cytarabine", "Cytarabine component of vyxeos", "Cytosar", "Cytosar-u", "Depocyt", "Depocyte", "Tarabine pfs", "Cytarabine", "Cytarabine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2023895", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYSTILBAMIDINE ISETHIONATE", "xref": ["InChIKey:XVTQTNAKZYLTNZ-HFPMQDOPSA-N", "SMILES:N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO"], "synonym": ["Hydroxystilbamidine isethionate", "NSC-259242", "Hydroxystilbamidine isethionate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2311222", "category": ["biolink:NucleicAcidEntity"], "name": "RNA"}
{"id": "CHEMBL.TARGET:CHEMBL2311224", "category": ["biolink:MacromolecularComplex"], "name": "Bacterial DNA gyrase"}
{"id": "CHEMBL.COMPOUND:CHEMBL4", "category": ["biolink:ChemicalEntity"], "name": "OFLOXACIN", "xref": ["InChIKey:GSDSWSVVBLHKDQ-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23"], "synonym": ["Ofloxacin", "Ofloxacin", "Ofloxacin", "Ofloxacin", "Ofloxacin", "Ofloxacine", "Ofloxacino", "Ofloxacin", "Ofloxacin", "Ofloxacin", "DL-8280", "HOE 280", "HOE-280", "J01MA01", "NSC-727071", "NSC-758178", "Exocin", "Floxin", "Floxin otic", "Ocuflox", "Ofloxacin", "Tarivid", "Tarivid 400", "Tarivid i.v.", "Visiren", "Ofloxacin", "Ofloxacin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1208", "category": ["biolink:ChemicalEntity"], "name": "CINOXACIN", "xref": ["InChIKey:VDUWPHTZYNWKRN-UHFFFAOYSA-N", "SMILES:CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3"], "synonym": ["Cinoxacin", "Cinoxacin", "Cinoxacin", "Cinoxacin", "Cinoxacin", "Cinoxacine", "Cinoxacino", "Cinoxacin", "Cinoxacin", "Cinoxacin", "64716", "NSC-304467", "Cinobac", "Cinoxacin", "Cinoxacin", "Cinoxacin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL8", "category": ["biolink:ChemicalEntity"], "name": "CIPROFLOXACIN", "xref": ["InChIKey:MYSWGUAQZAJSOK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O"], "synonym": ["Ciprofloxacin", "Ciprofloxacin", "Ciprofloxacin", "Ciprofloxacin", "Ciprofloxacin", "Ciprofloxacine", "Ciprofloxacino", "Ciprofloxacin", "Ciprofloxacin", "Ciprofloxacin", "Ciprofloxacinum", "BAY O 9867 FREE BASE", "BAY Q 3939", "BAY-O-9867 FREE BASE", "BAY-Q-3939", "BAYQ3939", "NSC-758467", "Cetraxal", "Cipro", "Ciprofloxacin", "Ciprofloxacin component of ciprodex", "Otiprio", "Velmonit", "Ciprofloxacin", "Ciprofloxacin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1202", "category": ["biolink:ChemicalEntity"], "name": "CIPROFLOXACIN HYDROCHLORIDE", "xref": ["InChIKey:DIOIOSKKIYDRIQ-UHFFFAOYSA-N", "SMILES:Cl.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O"], "synonym": ["Ciprofloxacin hydrochloride", "Ciprofloxacin hydrochloride", "Ciprofloxacin hydrochloride hydrate", "Ciprofloxacin hydrochloride monohydrate", "Ciflox", "Ciprobay", "Ciprofloxacin (as hydrochloride)", "Ciprofloxacin hcl", "Ciprofloxacin hydrochloride", "Ciprofloxacin hydrochloride monohydrate", "Ciprofloxacini hydrochloridum", "Cipropol", "Ciproxan", "Ciproxin", "Flociprin", "BAY O 9867", "BAY O 9867 MONOHYDRATE", "BAY-O-9867", "BAY-O-9867 MONOHYDRATE", "Cetraxal", "Ciloxan", "Cipro", "Ciprofloxacin hydrochloride", "Ciprofloxacin hydrochloride component of cipro hc", "Ciprofloxacin hydrochloride component of cipro xr", "Ciprofloxacin hydrochloride component of ciprodex", "Ciprofloxacin hydrochloride component of otovel", "Proquin", "Proquin xr", "Ciprofloxacin hydrochloride", "Ciprofloxacin hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5", "category": ["biolink:ChemicalEntity"], "name": "NALIDIXIC ACID", "xref": ["InChIKey:MHWLWQUZZRMNGJ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21"], "synonym": ["Nalidixic acid", "Nalidixic acid", "Nalidixic acid", "Nalidixic acid", "Nalidixic acid", "Acide nalidixique", "Acido nalidixico", "Nalidixic acid", "Nalidixic acid", "Nalidixane", "Nalidixate", "Nalidixic acid", "NSC-82174", "WIN 18,320", "WIN-18320", "Mictral", "Nalidixic acid", "Nalix", "Neg gram", "Neggram", "Negram", "Uriben", "Uroneg", "Nalidixic acid", "Nalidixic acid"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1728", "category": ["biolink:ChemicalEntity"], "name": "LOMEFLOXACIN HYDROCHLORIDE", "xref": ["InChIKey:KXEBLAPZMOQCKO-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl"], "synonym": ["Lomefloxacin hydrochloride", "Lomefloxacin hydrochloride", "Lomefloxacin monohydrochloride", "Lomefloxacin (as hydrochloride)", "Lomefloxacin hcl", "Lomefloxacin hydrochloride", "NSC-758168", "NY-198", "SC-47111", "Maxaquin", "Lomefloxacin hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315124", "category": ["biolink:ChemicalEntity"], "name": "LEVOFLOXACIN", "xref": ["InChIKey:SUIQUYDRLGGZOL-RCWTXCDDSA-N", "SMILES:C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.O"], "synonym": ["Levofloxacin", "Levofloxacin", "Levofloxacin", "Levofloxacin", "Levofloxacin hemihydrate", "Levofloxacin", "Levofloxacin", "Levofloxacin", "Ofloxacin s-(-)-form hemihydrate", "Cravit", "L-ofloxacin", "Levofloxacin", "Levofloxacin (as hemihydrate)", "Levofloxacin hydrate", "Nofaxin", "Ofloxacin, (s)-", "Volequin", "DR-3355", "RWJ-25213", "Evoxil", "Iquix", "Levaquin", "Levofloxacin", "Oftaquix", "Quinsair", "Quixin", "Tavanic", "Levofloxacin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2311225", "category": ["biolink:MacromolecularComplex"], "name": "DNA gyrase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200393", "category": ["biolink:ChemicalEntity"], "name": "GREPAFLOXACIN HYDROCHLORIDE", "xref": ["InChIKey:IEPMBYOIQGCVHO-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1.Cl"], "synonym": ["Grepafloxacin hydrochloride", "Grepafloxacin hydrochloride", "Grepafloxacin hydrochloride", "Grepafloxacin hcl", "OPC-17116", "Raxar", "Grepafloxacin hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL31", "category": ["biolink:ChemicalEntity"], "name": "GATIFLOXACIN", "xref": ["InChIKey:XUBOMFCQGDBHNK-UHFFFAOYSA-N", "SMILES:COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"], "synonym": ["Gatifloxacin", "Gatifloxacin", "Gatifloxacin", "Gatifloxacin", "Gatifloxacine", "Gatifloxacino", "Gatifloxacin hydrate", "Gatifloxacin", "Gatifloxacin sesquihydrate", "Gatiflo", "Gatifloxacin", "Gatifloxacin (sesquihydrate)", "Gatifloxacin anhydrous", "Gatifloxacin hydrate", "Gatifloxacin sesquihydrate", "Zymer", "AM-1155", "BMS-206584-01", "BMS-20658401", "NSC-758701", "PD-135432", "Gatifloxacin", "Tequin", "Zymar", "Zymaxid", "Gatifloxacin", "Gatifloxacin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200621", "category": ["biolink:ChemicalEntity"], "name": "GEMIFLOXACIN MESYLATE", "xref": ["InChIKey:JIYMVSQRGZEYAX-CWUUNJJBSA-N", "SMILES:CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O"], "synonym": ["Gemifloxacin mesylate", "Gemifloxacin methanesulfonate", "Gemifloxacin mesilate", "Gemifloxacin mesylate", "LB 20304A", "LB-20304A", "SB-265805-S", "Factive", "Gemifloxacin mesylate", "Gemifloxacin mesylate", "Gemifloxacin mesylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2311244", "category": ["biolink:MacromolecularComplex"], "name": "DNA gyrase"}
{"id": "CHEMBL.COMPOUND:CHEMBL544665", "category": ["biolink:ChemicalEntity"], "name": "FINGOLIMOD HYDROCHLORIDE", "xref": ["InChIKey:SWZTYAVBMYWFGS-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl"], "synonym": ["Fingolimod hydrochloride", "Fingolimod", "Fingolimod hydrochloride", "Fingolimod hydrochloride", "Fingolimod hydrochloride", "Fingolimod (as hydrochloride)", "Fingolimod hcl", "Fingolimod hydrochlorid", "Fingolimod hydrochloride", "Gilenia", "FTY-720 HYDROCHLORIDE", "FTY720", "FTY720 HYDROCHLORIDE", "Fingolimod accord", "Fingolimod mylan", "Gilenya", "Fingolimod hydrochloride", "Fingolimod hydrochloride"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363041", "category": ["biolink:ProteinFamily"], "name": "Sphingosine 1-phosphate receptor"}
{"id": "CHEMBL.TARGET:CHEMBL2363042", "category": ["biolink:ProteinFamily"], "name": "DNA polymerase (alpha/delta/epsilon)"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200382", "category": ["biolink:ChemicalEntity"], "name": "BEPRIDIL HYDROCHLORIDE", "xref": ["InChIKey:UEECHQPWQHYEDE-UHFFFAOYSA-N", "SMILES:CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl.O"], "synonym": ["Bepridil hydrochloride", "Bepridil hydrochloride", "Bepridil hydrochloride hydrate", "Bepridil hydrochloride monohydrate", "Bepridil hydrochloride hydrate", "Bepridil hydrochloride monohydrate", "Cordium", "Unicordium", "CERM 1978", "CERM-1978", "NSC-758390", "Bepadin", "Vascor", "Bepridil hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2363032", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-gated calcium channel"}
{"id": "CHEMBL.COMPOUND:CHEMBL1059", "category": ["biolink:ChemicalEntity"], "name": "PREGABALIN", "xref": ["InChIKey:AYXYPKUFHZROOJ-ZETCQYMHSA-N", "SMILES:CC(C)C[C@H](CN)CC(=O)O"], "synonym": ["Pregabalin", "Pregabalin", "Pregabalin", "Pregabalin", "Pregabalin", "Pregabalin", "Pregabaline", "Pregabalina", "Pregabalin", "Pregabalin", "Pregabalin", "Pregabalin mylan", "Pregabalin sandoz", "Pregabalin sandoz gmbh", "Pregabalin zentiva", "Vronogabic", "CI-1008", "NSC-759256", "PD-144723", "YNP-1807", "Alzain", "Axalid", "Bonqat", "Lecaent", "Lyrica", "Lyrica cr", "Pregabalin", "Pregabalin accord", "Pregabalin mylan", "Pregabalin mylan pharma", "Pregabalin pfizer", "Pregabalin sandoz", "Pregabalin sandoz gmbh", "Pregabalin zentiva", "Pregabalin zentiva k.s.", "Rewisca", "Pregabalin", "Pregabalin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL940", "category": ["biolink:ChemicalEntity"], "name": "GABAPENTIN", "xref": ["InChIKey:UGJMXCAKCUNAIE-UHFFFAOYSA-N", "SMILES:NCC1(CC(=O)O)CCCCC1"], "synonym": ["Gabapentin", "Gabapentin", "Gabapentin", "Gabapentin", "Gabapentin", "Gabapentine", "Gabapentina", "Gabapentin", "Gabapentin", "Gabapentin", "CI-945", "DM-1796", "GOE 3450", "GOE-3450", "NSC-742194", "NSC-759254", "Gabapentin", "Gralise", "Neurontin", "Gabapentin", "Gabapentin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1628502", "category": ["biolink:ChemicalEntity"], "name": "GABAPENTIN ENACARBIL", "xref": ["InChIKey:TZDUHAJSIBHXDL-UHFFFAOYSA-N", "SMILES:CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C"], "synonym": ["Gabapentin enacarbil", "Gabapentin enacarbil", "Gabapentine enacarbil", "Gabapentina enacarbilo", "Gabapentin enacarbil", "Gabapentin encarbil", "Gabapentin enacarbil", "Gsk-1838262", "ASP-8825", "ASP8825", "GSK1838262", "XP 13512", "XP-13512", "XP13512", "Horizant", "Gabapentin enacarbil"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314362", "category": ["biolink:ChemicalEntity"], "name": "ENTECAVIR", "xref": ["InChIKey:YXPVEXCTPGULBZ-WQYNNSOESA-N", "SMILES:C=C1[C@H](CO)[C@@H](O)C[C@@H]1n1cnc2c(=O)[nH]c(N)nc21.O"], "synonym": ["Entecavir", "Entecavir", "Entecavir", "Entecavir monohydrate", "Entecavir", "Entecavir", "Entecavir hydrate", "Entecavir", "Entecavir monohydrate", "Entecavir", "Entecavir hydrate", "Entecavir monohydrate", "BMS-200475-01", "SQ-34676", "SQ34676", "Baraclude", "Entecavir", "Entecavir accord", "Entecavir mylan", "Entecavir viatris (previously entecavir mylan)", "Entecavir", "Entecavir", "Entecavir monohydrate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "DNA polymerase/reverse transcriptase", "synonym": ["Protein P"], "xref": ["CHEMBL.TARGET:CHEMBL2362994"], "id": "UniProtKB:Q9IF40", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10407"]}
{"id": "CHEMBL.COMPOUND:CHEMBL922", "category": ["biolink:ChemicalEntity"], "name": "ADEFOVIR DIPIVOXIL", "xref": ["InChIKey:WOZSCQDILHKSGG-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C"], "synonym": ["Adefovir dipivoxil", "Adefovir dipivoxil", "Adefovir dipivoxil", "Adefovir dipivoxil", "Adefovir pivoxil", "Adefovir di(pivaloyloxymethyl) ester", "Adefovir dipivoxil", "Adefovir pivoxil", "GS-0840", "Adefovir dipivoxil", "Hepsera", "Adefovir dipivoxil"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL374731", "category": ["biolink:ChemicalEntity"], "name": "TELBIVUDINE", "xref": ["InChIKey:IQFYYKKMVGJFEH-CSMHCCOUSA-N", "SMILES:Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O"], "synonym": ["Telbivudine", "Telbivudine", "Telbivudine", "Telbivudine", "Telbivudine", "Telbivudine", "Telbivudina", "Telbivudine", "2'-deoxy-l-thymidine", "Telbivudine", "LDT-600", "LDT600", "NV-02B", "Sebivo", "Tyzeka", "Telbivudine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108888", "category": ["biolink:ChemicalEntity"], "name": "AGALSIDASE BETA", "synonym": ["Agalsidase beta", "Agalsidase beta", "Agalsidase beta", "Agalsidase beta", "Agalsidase beta", "Agalsidasa beta", "Agalsidase beta (genetical recombination)", ".alpha.--galactosidase", "Agalsidase beta", "Fabrazyme"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2366040", "category": ["biolink:SmallMolecule"], "name": "Globotriosylceramide"}
{"id": "CHEMBL.COMPOUND:CHEMBL1292", "category": ["biolink:ChemicalEntity"], "name": "CLOFAZIMINE", "xref": ["InChIKey:WDQPAMHFFCXSNU-BGABXYSRSA-N", "SMILES:CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1"], "synonym": ["Clofazimine", "Clofazimine", "Clofazimine", "Clofazimine", "Clofazimine", "Clofazimina", "Clofazimine", "Clofazimine", "Chlofazimine", "Clofazimine", "Clofaziminum", "Colfazimine", "G 30320", "G-30320", "G30320", "NSC-141046", "Lamprene", "Clofazimine", "Clofazimine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2366041", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL788", "category": ["biolink:ChemicalEntity"], "name": "IDOXURIDINE", "xref": ["InChIKey:XQFRJNBWHJMXHO-RRKCRQDMSA-N", "SMILES:O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I"], "synonym": ["Idoxuridine", "Idoxuridine", "Idoxuridine", "Idoxuridine", "Idoxuridina", "Idoxuridine", "Idoxuridine", "Idoxuridinum", "Joddeoxiuridin", "5-IUDR", "5IUDR", "ALLERGAN-211", "ALLERGAN211", "NSC-39661", "SK&F 14287", "SK&F-14287", "Dendrid", "Herplex", "Idox", "Kerecid", "Ophthalmadine", "Stoxil"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2366042", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL1129", "category": ["biolink:ChemicalEntity"], "name": "TRIFLURIDINE", "xref": ["InChIKey:VSQQQLOSPVPRAZ-RRKCRQDMSA-N", "SMILES:O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F"], "synonym": ["Trifluridine", "Trifluridine", "Trifluridine", "Trifluridine", "Trifluridina", "Trifluridine", "F3dthd", "Trifluridine", "NSC-529182", "NSC-75520", "T.f.t.", "Trifluridine", "Trifluridine component of lonsurf", "Trifluridine component of s-95005", "Trifluridine component of tas-102", "Triherpine", "Viroptic", "Trifluridine", "Trifluridine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1448", "category": ["biolink:ChemicalEntity"], "name": "NICLOSAMIDE", "xref": ["InChIKey:RJMUSRYZPJIFPJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O"], "synonym": ["Niclosamide", "Niclosamide", "Niclosamide", "Niclosamide", "Niclosamide", "Niclosamida", "Niclosamide", "Niclosamide", "Niclosamide (anhydrous)", "Niclosamide anhydrous", "Niclosamide, anhydrous", "Niclosamidum anhydrous", "BAY 2353", "BAY-2353", "NSC-178296", "WR 46234", "Ex a lint", "Lintex", "Niclocide", "Nicloside", "Yomesan", "Niclosamide"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2366043", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL847", "category": ["biolink:ChemicalEntity"], "name": "OXAMNIQUINE", "xref": ["InChIKey:XCGYUJZMCCFSRP-UHFFFAOYSA-N", "SMILES:CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1"], "synonym": ["Oxamniquine", "Oxamniquine", "Oxamniquine", "Oxamniquine", "Oxamniquine", "Oxamniquina", "Oxamniquinum", "NSC-352888", "UK-4261", "UK-4271", "Mansil", "Vansil", "Oxamniquine", "Oxamniquine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2366044", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL1220", "category": ["biolink:ChemicalEntity"], "name": "TINIDAZOLE", "xref": ["InChIKey:HJLSLZFTEKNLFI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C"], "synonym": ["Tinidazole", "Tinidazole", "Tinidazole", "Tinidazole", "Tinidazole", "Tinidazol", "Tinidazole", "Tinidazole", "Fasigin", "Haisigyn", "Tinidazole", "Tricolam", "Trimonase", "CP-12,574", "CP-12574", "NSC-758189", "Fasigyn", "Simplotan", "Symplotan", "Tindamax", "Tinidazole", "Tinidazole", "Tinidazole"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2366045", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL361506", "category": ["biolink:ChemicalEntity"], "name": "PENTAMIDINE ISETHIONATE", "xref": ["InChIKey:YBVNFKZSMZGRAD-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO"], "synonym": ["Pentamidine isethionate", "Pentamidine isetionate", "Pentamidine isethionate", "Pentamidine isethionate", "Pentamidine diisethionate", "Pentamidine diisetionate", "Pentamidine isethionate", "Pentamidini isetionas", "MB 800", "NSC-620107", "NSC-757400", "OCZ103-OS", "RP 2512", "Nebupent", "Pentacarinat", "Pentam", "Pentamidine isethionate", "Pentamidine isethionate", "Pentamidine isethionate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2366046", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.TARGET:CHEMBL2366047", "category": ["biolink:NucleicAcidEntity"], "name": "Kinetoplast DNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200448", "category": ["biolink:ChemicalEntity"], "name": "TILUDRONATE DISODIUM", "xref": ["InChIKey:SKUHWSDHMJMHIW-UHFFFAOYSA-L", "SMILES:O=P([O-])(O)C(Sc1ccc(Cl)cc1)P(=O)([O-])O.[Na+].[Na+]"], "synonym": ["Tiludronate disodium", "Tiludronic acid disodium salt", "Tiludronate disodium", "Tiludronate disodium anhydrous", "Tiludronate sodium", "Tiludronic acid disodium salt", "SR 41319B", "SR-41319B", "Skelid", "Tiludronate disodium"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2366048", "category": ["biolink:SmallMolecule"], "name": "ATP"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201042", "category": ["biolink:ChemicalEntity"], "name": "ETIDRONATE DISODIUM", "xref": ["InChIKey:GWBBVOVXJZATQQ-UHFFFAOYSA-L", "SMILES:CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]"], "synonym": ["Etidronate disodium", "Etidronate disodium", "Etidronate disodium", "Etidronic acid disodium salt", "Disodium etidronate", "Etidronic acid disodium salt", "Turpinal 2nz", "NSC-759157", "Didronel", "Didronel iv", "Didronel pmo", "Etidronate disodium", "Etidronate disodium", "Etidronate disodium"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3183453", "category": ["biolink:ChemicalEntity"], "name": "NOVOBIOCIN SODIUM", "xref": ["InChIKey:WWPRGAYLRGSOSU-RNROJPEYSA-M", "SMILES:CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+]"], "synonym": ["Novobiocin monosodium salt", "Novobiocin sodium", "Novobiocin, monosodium salt", "Sodium novobiocin", "NSC-2382", "Albamycin", "Spheromycin", "Vulcamycin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2331040", "category": ["biolink:MacromolecularComplex"], "name": "DNA gyrase"}
{"name": "Potassium channel subfamily K member 10", "xref": ["CHEMBL.TARGET:CHEMBL2331041"], "id": "UniProtKB:P57789", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium channel subfamily K member 18", "xref": ["CHEMBL.TARGET:CHEMBL2331042"], "id": "UniProtKB:Q7Z418", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201486", "category": ["biolink:ChemicalEntity"], "name": "QUINIDINE POLYGALACTURONATE", "synonym": ["Quinidine polygalacturonate", "Galactoquin", "Naticardina", "Cardioquin"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2331043", "category": ["biolink:ProteinFamily"], "name": "Sodium channel alpha subunit"}
{"id": "CHEMBL.COMPOUND:CHEMBL1889140", "category": ["biolink:ChemicalEntity"], "name": "ROPIVACAINE HYDROCHLORIDE", "xref": ["InChIKey:NDNSIBYYUOEUSV-RSAXXLAASA-N", "SMILES:CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl"], "synonym": ["Ropivacaine hydrochloride", "Ropivacaine hydrochloride", "Ropivacaine hydrochloride hydrate", "Ropivacaine hydrochloride", "Ropivacaine hydrochloride monohydrate", "Ropivacaine hcl", "Ropivacaine hydrochloride", "Ropivacaine hydrochloride hydrate", "Ropivacaine hydrochloride monohydrate", "Naropin", "Ropivacaine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL918", "category": ["biolink:ChemicalEntity"], "name": "PHENACEMIDE", "xref": ["InChIKey:XPFRXWCVYUEORT-UHFFFAOYSA-N", "SMILES:NC(=O)NC(=O)Cc1ccccc1"], "synonym": ["Phenacemide", "Phenacemide", "Phenacemide", "Fenacemida", "NSC-39458", "Phenurone"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200654", "category": ["biolink:ChemicalEntity"], "name": "BENOXINATE HYDROCHLORIDE", "xref": ["InChIKey:PRGUDWLMFLCODA-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl"], "synonym": ["Oxybuprocaine hydrochloride", "Benoxinate hydrochloride", "Benoxinate hcl", "Benoxinate hydrochloride", "Oxybuprocaine hcl", "NSC-759847", "Benoxinate hydrochloride", "Benoxinate hydrochloride component of altafluor benox"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL944", "category": ["biolink:ChemicalEntity"], "name": "CHLOROPROCAINE HYDROCHLORIDE", "xref": ["InChIKey:SZKQYDBPUCZLRX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOC(=O)c1ccc(N)cc1Cl.Cl"], "synonym": ["Chloroprocaine hydrochloride", "Chloroprocaine hydrochloride", "Chloroprocaine hydrochloride", "Chloroprocaine hcl", "Chloroprocaine hydrochloride", "Iheezo", "Ampres", "Chloroprocaine hydrochloride", "Clorotekal", "Iheezo", "Nesacaine", "Nesacaine-mpf"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200606", "category": ["biolink:ChemicalEntity"], "name": "MEXILETINE HYDROCHLORIDE", "xref": ["InChIKey:NFEIBWMZVIVJLQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1OCC(C)N.Cl"], "synonym": ["Mexiletine hydrochloride", "Mexiletine hydrochloride", "Mexiletine hydrochloride", "Mexiletine hydrochloride", "Mexiletine hydrochloride", "Katen", "Mexiletine hcl", "Mexiletine hydrochloride", "KO 1173 CL", "KO-1173", "KO-1173 CL", "KO-1173-CL", "NSC-758639", "Mexiletine hydrochloride", "Mexitil", "Mexitil p.l.", "Namuscla", "Mexiletine hydrochloride", "Mexiletine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL744", "category": ["biolink:ChemicalEntity"], "name": "RILUZOLE", "xref": ["InChIKey:FTALBRSUTCGOEG-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(OC(F)(F)F)cc2s1"], "synonym": ["Riluzole", "Riluzole", "Riluzole", "Riluzole", "Riluzole", "Riluzole", "Riluzol", "Riluzole", "Riluzole", "Riluzole", "Tiglutik", "BHV-0223", "NSC-753433", "NSC-759823", "RP 54274", "RP-54274", "Exservan", "Rilutek", "Riluzole", "Riluzole zentiva", "Teglutik", "Tiglutik kit", "Riluzole", "Riluzole"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200715", "category": ["biolink:ChemicalEntity"], "name": "HEXYLCAINE HYDROCHLORIDE", "xref": ["InChIKey:MTFCPNHRBINLRQ-UHFFFAOYSA-N", "SMILES:CC(CNC1CCCCC1)OC(=O)c1ccccc1.Cl"], "synonym": ["Hexylcaine hydrochloride", "Hexylcaine hcl", "Cyclaine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201022", "category": ["biolink:ChemicalEntity"], "name": "PHENAZOPYRIDINE HYDROCHLORIDE", "xref": ["InChIKey:QQBPIHBUCMDKFG-GEEYTBSJSA-N", "SMILES:Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1"], "synonym": ["Phenazopyridine hydrochloride", "Phenazopyridine hydrochloride", "Phenazopyridine hydrochloride", "Phenazopyridine hcl", "Phenazopyridine hydrochloride", "NC 150", "NC-150", "NSC-1879", "W 1655", "W-1655", "Phenazopyridine hydrochloride component of azo gantanol", "Phenazopyridine hydrochloride component of azo gantrisin", "Pyridium", "Uropyrine", "Phenazopyridine hydrochloride", "Phenazopyridine hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200437", "category": ["biolink:ChemicalEntity"], "name": "QUINIDINE GLUCONATE", "xref": ["InChIKey:XHKUDCCTVQUHJQ-LCYSNFERSA-N", "SMILES:C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"], "synonym": ["Quinidine gluconate", "Dura-tab", "Gluconic acid quinidine salt", "Gluquinate", "Quinidine mono-d-gluconate", "Quinidine monogluconate, d-", "NSC-757297", "Duraquin", "Quinact", "Quinaglute", "Quinalan", "Quinatime", "Quinidine gluconate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1095", "category": ["biolink:ChemicalEntity"], "name": "ETHOTOIN", "xref": ["InChIKey:SZQIFWWUIBRPBZ-UHFFFAOYSA-N", "SMILES:CCN1C(=O)NC(c2ccccc2)C1=O"], "synonym": ["Ethotoin", "Ethotoin", "Ethotoin", "Ethotoine", "Etotoina", "Accenon", "NSC-760074", "Peganone"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201020", "category": ["biolink:ChemicalEntity"], "name": "DISOPYRAMIDE PHOSPHATE", "xref": ["InChIKey:CGDDQFMPGMYYQP-UHFFFAOYSA-N", "SMILES:CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.O=P(O)(O)O"], "synonym": ["Disopyramide phosphate", "Disopyramide phosphate", "Disopyramide phosphate", "Disopyramide phosphate", "Disopyramide phosphate", "Dirythmin sa", "Diso-duriles", "Disopyramide phosphate", "Rythmodan", "NSC-756744", "SC-13957", "SC-7031 PHOSPHATE", "Dirythmin", "Dirythmin-sa", "Disopyramide phosphate", "Isomide cr", "Norpace", "Norpace cr", "Rythmodan ret", "Disopyramide phosphate", "Disopyramide phosphate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200478", "category": ["biolink:ChemicalEntity"], "name": "DYCLONINE HYDROCHLORIDE", "xref": ["InChIKey:KNZADIMHVBBPOA-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl"], "synonym": ["Dyclonine hydrochloride", "Dyclonine hcl", "NSC-23018", "Dyclone"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707183", "category": ["biolink:ChemicalEntity"], "name": "QUINIDINE SULFATE", "xref": ["InChIKey:ZHNFLHYOFXQIOW-AHSOWCEXSA-N", "SMILES:C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O"], "synonym": ["Quinidine sulfate", "Quinidine sulfate", "Quinidine sulfate hydrate", "Quinidine sulfate anhydrous", "Quinidine sulfate dihydrate", "Quinidex extentabs", "Quinidine sulfate", "Quinidine sulfate dihydrate", "Quinidine sulfate hydrate", "Quinidine sulphate", "Quinidine sulphate anhydrous", "Quinidine sulphate dihydrate", "Quinidine, sulfate (2:1) (salt)", "Quinidini sulfas", "NSC-10004", "QUINIDINE SULFATE COMPONENT OF AVP-786", "Cin-quin", "Quinicardine", "Quinidex", "Quinidine sulfate", "Quinidine sulfate component of nuedexta", "Quinora"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1194", "category": ["biolink:ChemicalEntity"], "name": "PRILOCAINE", "xref": ["InChIKey:MVFGUOIZUNYYSO-UHFFFAOYSA-N", "SMILES:CCCNC(C)C(=O)Nc1ccccc1C"], "synonym": ["Prilocaine", "Prilocaine", "Prilocaine", "Prilocaine", "Prilocaina", "Propitocaine", "Prilocaine", "Prilocaine", "Propitocaine", "ASTRA-1512", "ASTRA-1515", "NSC-40027", "Prilocaine component of emla", "Prilocaine component of fortacin", "Prilocaine component of oraqix", "Prilocaine", "Prilocaine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1611", "category": ["biolink:ChemicalEntity"], "name": "PHENYTOIN SODIUM", "xref": ["InChIKey:FJPYVLNWWICYDW-UHFFFAOYSA-M", "SMILES:O=C1N=C([O-])NC1(c1ccccc1)c1ccccc1.[Na+]"], "synonym": ["Phenytoin sodium", "Diphenylhydantoin sodium", "Phenytoin sodium", "Phenytoin sodium for injection", "Phenytoin sodium salt", "5,5-diphenylhydantoin sodium salt", "Antisacer", "Phenytoin sodium", "Phenytoin sodium extended", "Phenytoin sodium, extended", "Phenytoin sodium, prompt", "Phenytoin sodium,extended", "Phenytoin sodium,prompt", "Phenytoinum natricum", "Tacosal", "NSC-757274", "Dilantin", "Diphenylan sodium", "Extended phenytoin sodium", "Pentran", "Phenytek", "Phenytex", "Phenytoin sodium", "Prompt phenytoin sodium"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200443", "category": ["biolink:ChemicalEntity"], "name": "MERETHOXYLLINE PROCAINE", "synonym": ["Procaine merethoxylline", "Merethoxyline procaine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200841", "category": ["biolink:ChemicalEntity"], "name": "PROCAINE HYDROCHLORIDE", "xref": ["InChIKey:HCBIBCJNVBAKAB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl"], "synonym": ["Procaine hydrochloride", "Procaine hydrochloride", "Procaine hydrochloride", "Anestil", "Enpro", "Jenacaine", "Medaject", "Naucaine", "Neocaine", "Omnicain", "Planocaine", "Procaine hcl", "Procaine hydrochloride", "Procaini hydrochloridum", "Rocain", "Sp01a", "Syntocain", "NSC-757280", "SP-01A", "SP01A", "Gero", "Novocain", "Pasconeural n", "Procaine hydrochloride", "Procaine hydrochloride component of achromycin", "Procaine hydrochloride component of cardioplegin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL861", "category": ["biolink:ChemicalEntity"], "name": "MEPHENYTOIN", "xref": ["InChIKey:GMHKMTDVRCWUDX-UHFFFAOYSA-N", "SMILES:CCC1(c2ccccc2)NC(=O)N(C)C1=O"], "synonym": ["Mephenytoin", "Mephenytoin", "Mephenytoin", "Mephenytoin", "Mephenytoin", "Mephenytoine", "Mefenitoina", "Methoin", "NSC-34652", "Mesantoin", "Mephenytoin", "Mephenytoin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL108", "category": ["biolink:ChemicalEntity"], "name": "CARBAMAZEPINE", "xref": ["InChIKey:FFGPTBGBLSHEPO-UHFFFAOYSA-N", "SMILES:NC(=O)N1c2ccccc2C=Cc2ccccc21"], "synonym": ["Carbamazepine", "Carbamazepine", "Carbamazepine", "Carbamazepine", "Carbamazepine", "Carbamazepina", "Carbamazepine", "Carbamazepine", "Biston", "Carbamazepine", "Carbamazepine anhydrous", "Carbamazepine extended release", "Carbamazepinum", "Finlepsin", "Karbamazepin", "Karbelex", "Neurotol", "Neurotop", "Sirtal", "Stazepine", "Tegretal", "Telesmin", "Timonil", "G-32883", "GEIGY 32883", "NSC-169864", "Arbil mr", "Carbagen sr", "Carbamazepine", "Carbatrol", "Carnexiv", "Epimaz", "Epimaz ret", "Epitol", "Equetro", "Sirtal ret", "Tegretol", "Tegretol chewtab", "Tegretol prolonged release", "Tegretol xr", "Tegretol-xr", "Teril", "Teril ret", "Timonil 200 ret", "Timonil 400 ret", "Carbamazepine", "Carbamazepine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200819", "category": ["biolink:ChemicalEntity"], "name": "ARTICAINE HYDROCHLORIDE", "xref": ["InChIKey:GDWDBGSWGNEMGJ-UHFFFAOYSA-N", "SMILES:CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC.Cl"], "synonym": ["Articaine hydrochloride", "Carticaine hydrochloride", "Articaine hcl", "Articaine hydrochloride", "Ubistesine", "Ultracain", "40 045", "HOE 045", "HOE-045", "HOE-40045", "Articaine hydrochloride component of orabloc", "Articaine hydrochloride component of septocaine", "Septanest", "Articaine hydrochloride", "Articaine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL698", "category": ["biolink:ChemicalEntity"], "name": "TETRACAINE", "xref": ["InChIKey:GKCBAIGFKIBETG-UHFFFAOYSA-N", "SMILES:CCCCNc1ccc(C(=O)OCCN(C)C)cc1"], "synonym": ["Tetracaine", "Tetracaine", "Tetracaine", "Tetracaine", "Tetracaina", "Tetracaine", "Ametop", "Dicaine", "Tetracaine component of pliaglis", "Tetracaine component of synera"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL58323", "category": ["biolink:ChemicalEntity"], "name": "LACOSAMIDE", "xref": ["InChIKey:VPPJLAIAVCUEMN-GFCCVEGCSA-N", "SMILES:COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1"], "synonym": ["Lacosamide", "Lacosamide", "Lacosamide", "Lacosamide", "Erlosamide", "Lacosamide", "Lacosamida", "Lacosamide", "Lacosamide", "(r)-lacosamide 1", "Erlosamide", "Lacosamide", "Motpoly", "ADD 243037", "ADD-243037", "ADD243037", "SPM 927", "SPM-927", "SPM927", "Lacosamide", "Lacosamide accord", "Lacosamide adroiq", "Lacosamide ucb", "Motpoly xr", "Vimpat", "Lacosamide", "Lacosamide cv"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200440", "category": ["biolink:ChemicalEntity"], "name": "MEPIVACAINE HYDROCHLORIDE", "xref": ["InChIKey:RETIMRUQNCDCQB-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)C1CCCCN1C.Cl"], "synonym": ["Mepivacaine hcl", "Mepivacaine hydrochloride", "Mepivacaine hydrochloride", "Mepivacaine hydrochloride", "Mepivacaine hydrochloride", "Mepivacaine monohydrochloride", "Optocain", "Scandicain", "NSC-758674", "Arestocaine hydrochloride", "Carbocaine", "Isocaine hydrochloride", "Mepivacaine hydrochloride", "Polocaine", "Polocaine-mpf", "Scandicaine", "Scandonest", "Scandonest plain"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200334", "category": ["biolink:ChemicalEntity"], "name": "MORICIZINE HYDROCHLORIDE", "xref": ["InChIKey:GAQAKFHSULJNAK-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl"], "synonym": ["Moracizine hydrochloride", "Moricizine hydrochloride", "Moricizine hcl", "Ethmozine"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200597", "category": ["biolink:ChemicalEntity"], "name": "ETIDOCAINE HYDROCHLORIDE", "xref": ["InChIKey:LMWQQUMMGGIGJQ-UHFFFAOYSA-N", "SMILES:CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C.Cl"], "synonym": ["Etidocaine hydrochloride", "Duranest hydrochloride", "Etidocaine hcl", "W-19053", "Duranest", "Etidocaine hydrochloride component of duranest"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL605", "category": ["biolink:ChemicalEntity"], "name": "PROCAINAMIDE HYDROCHLORIDE", "xref": ["InChIKey:ABTXGJFUQRCPNH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl"], "synonym": ["Procainamide hydrochloride", "Procainamide hydrochloride", "Procainamide hydrochloride", "Amidoprocaine", "Cardiorytmin", "Procainamide hcl", "Procainamide hydrochloride", "Procainamidi hydrochloridum", "NSC-757279", "Biocoryl", "Novocainamid", "Procainamide hydrochloride", "Procan", "Procan sr", "Procanbid", "Procapan", "Pronestyl", "Pronestyl-sr"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200464", "category": ["biolink:ChemicalEntity"], "name": "PROPARACAINE HYDROCHLORIDE", "xref": ["InChIKey:BFUUJUGQJUTPAF-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl"], "synonym": ["Proparacaine hydrochloride", "Proparacaine hydrochloride", "Ak-taine", "Proparacaine hcl", "Proparacaine hydrochloride", "Proxymetacaine hydrochloride", "NSC-759896", "Alcaine", "Kainair", "Ophthaine", "Ophthetic", "Paracaine", "Proparacaine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1769", "category": ["biolink:ChemicalEntity"], "name": "PROPOXYCAINE HYDROCHLORIDE", "xref": ["InChIKey:GITPCGSPKUQZTE-UHFFFAOYSA-N", "SMILES:CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl"], "synonym": ["Propoxycaine hydrochloride", "Propoxycaine hcl", "NSC-760044"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201754", "category": ["biolink:ChemicalEntity"], "name": "RUFINAMIDE", "xref": ["InChIKey:POGQSBRIGCQNEG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cn(Cc2c(F)cccc2F)nn1"], "synonym": ["Rufinamide", "Rufinamide", "Rufinamide", "Rufinamide", "Rufinamide", "Rufinamide", "Rufinamida", "Rufinamide", "Rufinamide", "Rufinamide", "60231/4", "CGP 33101", "CGP-33101", "E-2080", "E2080", "RUF 331", "RUF-331", "Banzel", "Inovelon", "Rufinamide", "Rufinamide", "Rufinamide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1068", "category": ["biolink:ChemicalEntity"], "name": "OXCARBAZEPINE", "xref": ["InChIKey:CTRLABGOLIVAIY-UHFFFAOYSA-N", "SMILES:NC(=O)N1c2ccccc2CC(=O)c2ccccc21"], "synonym": ["Oxcarbazepine", "Oxcarbazepine", "Oxcarbazepine", "Oxcarbazepine", "Oxcarbazepine", "Oxcarbazepina", "Oxcarbazepine", "Oxcarbazepine", "Oxcarbamazepine", "Oxcarbazepine", "GP-47680", "KIN-493", "NSC-758693", "SPN-804", "Oxcarbazepine", "Oxtellar xr", "Trileptal", "Oxcarbazepine", "Oxcarbazepine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL16", "category": ["biolink:ChemicalEntity"], "name": "PHENYTOIN", "xref": ["InChIKey:CXOFVDLJLONNDW-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1"], "synonym": ["Phenytoin", "Phenytoin", "Phenytoin", "Phenytoin", "Phenytoin", "Phenytoine", "Fenitoina", "Phenytoin", "Phenytoin", "Diphenylhydantoin", "Epamin", "Lepitoin", "Phenytoin", "Phenytoinum", "Zentropil", "NSC-8722", "PHENYTOIN COMPONENT OF SM-88", "Dilabid", "Dilantin", "Dilantin-125", "Dilantin-30", "Hydantol", "Phentytoin", "Phenytoin", "Phenytoin", "Phenytoin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200586", "category": ["biolink:ChemicalEntity"], "name": "PRILOCAINE HYDROCHLORIDE", "xref": ["InChIKey:BJPJNTKRKALCPP-UHFFFAOYSA-N", "SMILES:CCCNC(C)C(=O)Nc1ccccc1C.Cl"], "synonym": ["Prilocaine hydrochloride", "Prilocaine hydrochloride", "Propitocaine hydrochloride", "Citanest hydrochloride", "Prilocaine hcl", "Prilocaine hydrochloride", "Propitocaine hydrochloride", "Xylonest", "ASTRA 1512", "L-67", "L-67 HYDROCHLORIDE", "NSC-758432", "Citanest", "Citanest plain", "Citanest plain dental", "Prilocaine hydrochloride", "Prilocaine hydrochloride", "Prilocaine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL919", "category": ["biolink:ChemicalEntity"], "name": "FOSPHENYTOIN SODIUM", "xref": ["InChIKey:GQPXYJNXTAFDLT-UHFFFAOYSA-L", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)([O-])[O-].[Na+].[Na+]"], "synonym": ["Fosphenytoin sodium", "Fosphenytoin sodium", "Fosphenytoin disodium salt", "Fosphenytoin sodium", "ACC-9653-010 (SODIUM SALT)", "CI 982", "CI-982", "Cerebyx", "Fosphenytoin sodium", "Pro-epanutin", "Sesquient", "Fosphenytoin sodium", "Fosphenytoin sodium"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200341", "category": ["biolink:ChemicalEntity"], "name": "INDECAINIDE HYDROCHLORIDE", "xref": ["InChIKey:NXNSCUZKMVYAJQ-UHFFFAOYSA-N", "SMILES:CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21.Cl"], "synonym": ["Indecainide hydrochloride", "Indecainide hcl", "Indecainide hydrochloride", "Ricainide", "LY 135837", "LY-135837", "LY-135857", "Decabid", "Indecainide hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL741", "category": ["biolink:ChemicalEntity"], "name": "LAMOTRIGINE", "xref": ["InChIKey:PYZRQGJRPPTADH-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1"], "synonym": ["Lamotrigine", "Lamotrigine", "Lamotrigine", "Lamotrigine", "Lamotrigine", "Lamotrigina", "Lamotrigine", "Lamotrigine", "Lamotrigine", "BW 430C", "BW-430C", "NSC-759171", "Lamictal", "Lamictal cd", "Lamictal odt", "Lamictal xr", "Lamotrigine", "Lamotrigine", "Lamotrigine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL79", "category": ["biolink:ChemicalEntity"], "name": "LIDOCAINE", "xref": ["InChIKey:NNJVILVZKWQKPM-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)Nc1c(C)cccc1C"], "synonym": ["Lidocaine", "Lidocaine", "Lidocaine", "Lidocaine", "Lidocaina", "Lidocaine", "Embolex", "Iontocaine", "Lidocaine", "Lidocainum", "Octocaine", "Solarcaine", "Xylestesin", "ALGRX 3268", "ALGRX-3268", "NSC-40030", "Alphacaine", "Dentipatch", "Lidocaine", "Lidocaine component of emla", "Lidocaine component of fortacin", "Lidocaine component of lanabiotic", "Lidocaine component of oraqix", "Lidocaine component of pliaglis", "Lidocaine component of rocephin kit", "Lidocaine component of synera", "Lidoderm", "Lignocaine hcl", "Lmx 4", "Oraqix", "Vagisil", "Xylocaine", "Xylodase", "Xylotox", "Ztlido"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200409", "category": ["biolink:ChemicalEntity"], "name": "LIDOCAINE HYDROCHLORIDE", "xref": ["InChIKey:YECIFGHRMFEPJK-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl.O"], "synonym": ["Lidocaine hydrochloride", "Lidocaine hydrochloride", "Lidocaine hydrochloride", "Anhydrous lidocaine hydrochloride", "Lidocaine hcl", "Lidocaine hydrochloride", "Lidocaine hydrochloride anhydrous", "Lidocaine hydrochloride monohydrate", "Lidocaine hydrochloride usp", "Lidocaini hydrochloridum", "Lignocaine (as hydrochloride)", "Xylocaine hydrochloride", "NSC-757420", "Akten", "Alphacaine hydrochloride", "Anestacon", "Anodesyn", "Bismodyne", "Bradosol plus", "Calgel", "Co-phenylcaine fte", "Denela", "Dequaspray", "Emla", "Germoloids", "Germoloids complete", "Glydo", "Hemocane", "Iglu", "Instillagel", "Laryng-o-jet kit", "Laryngojet", "Laryngotracheal anesthesia kit", "Lido hcl", "Lidocaine hydrochloride", "Lidocaine hydrochloride component of duocaine", "Lidocaine hydrochloride component of embolex", "Lidocaine hydrochloride component of hbn-1", "Lidocaine hydrochloride component of iontocaine", "Lidocaine hydrochloride component of lidosite topical system kit", "Lidocaine hydrochloride component of lignospan forte", "Lidocaine hydrochloride component of octocaine", "Lidocaine hydrochloride preservative free", "Lidocaine hydrochloride viscous", "Lidocaine viscous", "Lidocaton", "Lidopen", "Lignokent", "Lignospan special", "Lignostab", "Lignostab a 100", "Lignostab n", "Lignostab-a", "Lta ii kit", "Medijel", "Oragard", "Pediatric lta kit", "Preparation h", "Rexocaine", "Versatis", "Xylocaine", "Xylocaine dental", "Xylocaine preservative free", "Xylocaine viscous", "Xylotox e80", "Zingo"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200773", "category": ["biolink:ChemicalEntity"], "name": "TOCAINIDE HYDROCHLORIDE", "xref": ["InChIKey:AMZACPWEJDQXGW-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)C(C)N.Cl"], "synonym": ["Tocainide hydrochloride", "Tocainide hydrochloride", "Tocainide (+/-)-form hydrochloride", "Tocainide hcl", "Tocainide monohydrochloride", "Tonocard", "Xylotocan"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL750", "category": ["biolink:ChemicalEntity"], "name": "ZONISAMIDE", "xref": ["InChIKey:UBQNRHZMVUUOMG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Cc1noc2ccccc12"], "synonym": ["Zonisamide", "Zonisamide", "Zonisamide", "Zonisamide", "Zonisamide", "Zonisamide", "Zonisamida", "Zonisamide", "Zonisamide", "Excegran", "Zonisade", "Zonisamide", "AD-810", "CI-912", "N03AX15", "PD-110843", "Zonegran", "Zonisade", "Zonisamide", "Zonisamide mylan", "Zonisamide", "Zonisamide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200323", "category": ["biolink:ChemicalEntity"], "name": "LABETALOL HYDROCHLORIDE", "xref": ["InChIKey:WQVZLXWQESQGIF-UHFFFAOYSA-N", "SMILES:CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl"], "synonym": ["Labetalol hydrochloride", "Labetalol hydrochloride", "Labetalol hydrochloride", "Labetalol hydrochloride", "Ibidomide hydrochloride", "Labetalol hcl", "Labetalol hydrochloride", "AH 5158A", "AH-5158A", "AH-5158A HYDROCHLORIDE", "NSC-290312", "SCH 15719W", "SCH-15719W", "SCH-15719W HYDROCHLORIDE", "Labetalol hydrochloride", "Labetalol hydrochloride component of normozide", "Labetalol hydrochloride in dextrose", "Labetalol hydrochloride in sodium chloride", "Labetalol hydrocloride", "Labrocol", "Normodyne", "Trandate", "Labetalol hydrochloride", "Labetalol hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2331074", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200833", "category": ["biolink:ChemicalEntity"], "name": "DIPIVEFRIN HYDROCHLORIDE", "xref": ["InChIKey:VKFAUCPBMAGVRG-UHFFFAOYSA-N", "SMILES:CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1.Cl"], "synonym": ["Dipivefrine hydrochloride", "Dipivefrin hydrochloride", "Dipivefrin hcl", "Akpro", "Dipivefrin hydrochloride", "Propine"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1256958", "category": ["biolink:ChemicalEntity"], "name": "EPINEPHRINE BITARTRATE", "xref": ["InChIKey:YLXIPWWIOISBDD-FVGYRXGTSA-N", "SMILES:CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Epinephrine bitartrate", "Epinephrine d-bitartrate", "(-)-epinephrine bitartrate", "Adrenalin tartrate", "Adrenaline (as tartrate)", "Adrenaline acid tartrate", "Adrenaline bitartate", "Epinephrine hydrogen tartrate", "Epinephrine tartrate", "Epinephrini hydrogenotartras", "L-epinephrine hydrogen tartrate", "NSC-756755", "Bronitin", "Bronitin mist", "Epinephrine bitartrate component of duranest", "Epinephrine bitartrate component of lignospan forte", "Epinephrine bitartrate component of orabloc", "Epinephrine bitartrate component of sensorcaine", "Epinephrine bitartrate component of septocaine", "Medihaler-epi"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL679", "category": ["biolink:ChemicalEntity"], "name": "EPINEPHRINE", "xref": ["InChIKey:UCTWMZQNUQWSLP-VIFPVBQESA-N", "SMILES:CNC[C@H](O)c1ccc(O)c(O)c1"], "synonym": ["Epinephrine", "Adrenaline", "Epinephrine", "Epinephrine", "Epinefrina", "Adrenaline", "Epinephrine", "Epinephrine hydrochloride", "(-)-(r)-epinephrine", "(-)-epinephrine", "Adrenalinum", "Epinephrine", "Epinephrine hcl", "Epinephrine hydrochloride", "Epinephrinum", "Glauposine", "L-epinephrine hydrochloride", "Neffy", "Nephridine", "Racepinefrine hydrochloride, (r)-", "Racepinefrine, (r)-", "Sus-phrine sulphite-free", "Susphrine", "Tonogen", "Twinject", "NSC-62786", "Adren co", "Adrenaclick", "Adrenalin", "Ana-guard", "Ana-kit", "Anapen", "Anaphylactic shock drug kit", "Asma-vydrin", "Asthmahaler", "Auvi-q", "Bronkaid mist", "Brovon", "Emerade", "Epi e z pen jr", "Epinephrine", "Epinephrine (copackaged)", "Epinephrine component of duranest", "Epinephrine component of iontocaine", "Epinephrine component of lidosite topical system kit", "Epinephrine component of octocaine", "Epipen", "Epipen e z pen", "Epipen jr", "Epipen jr.", "Eppy", "Gppe inh soln", "Jext", "Neffy", "Primatene", "Primatene mist", "Riddobron", "Riddofan", "Rybarvin", "Simplene", "Soln made to rybarvin for", "Sus-phrine", "Sus-phrine sulfite free", "Sus-phrine sulfite-free", "Symjepi", "Twinject 0.15", "Twinject 0.3"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL3184799", "category": ["biolink:ChemicalEntity"], "name": "MEPHENTERMINE SULFATE", "xref": ["InChIKey:DNKCFBJMFIUNRS-UHFFFAOYSA-N", "SMILES:CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1.O=S(=O)(O)O"], "synonym": ["Mephentermine sulfate", "Mephentermine sulfate dihydrate", "Mephentermine sulfate dihydrate", "Mephentermine sulphate", "Mephine", "Wyamine", "Wyamine sulphate", "NSC-758424", "Wyamine sulfate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1434513", "category": ["biolink:ChemicalEntity"], "name": "NOREPINEPHRINE BITARTRATE", "xref": ["InChIKey:LNBCGLZYLJMGKP-JZGIKJSDSA-N", "SMILES:NC[C@H](O)c1ccc(O)c(O)c1.O.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Norepinephrine bitartrate", "Norepinephrine hydrochloride", "Norepinephrine d-bitartrate", "Aktamin", "Arterenol, tartrate, monohydrate", "Binodrenal", "Levarterenol bitartrate", "Noradrenaline (as tartrate)", "Noradrenaline bitartrate", "Noradrenaline tartrate", "Norepinephrine bitartrate", "Norepinephrine bitartrate monohydrate", "NSC-169106", "Levophed", "Norepinephrine bitartrate", "Norepinephrine bitartrate in 5% dextrose", "Norepinephrine bitartrate", "Norepinephrine bitartrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200705", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYAMPHETAMINE HYDROBROMIDE", "xref": ["InChIKey:RZCJLMTXBMNRAD-UHFFFAOYSA-N", "SMILES:Br.CC(N)Cc1ccc(O)cc1"], "synonym": ["Hyroxyamfetamine hydrobromide", "Hydroxyamphetamine hydrobromide", "Hydroxyamfetamine hbr", "Hydroxyamfetamine hydrobromide", "Hydroxyamphetamine hbr", "Phenol, 4-(2-aminopropyl)-, hbr", "NSC-61065", "Hydroxyamphetamine hydrobromide component of paremyd", "Paredrine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2331075", "category": ["biolink:ProteinFamily"], "name": "D2-like dopamine receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200503", "category": ["biolink:ChemicalEntity"], "name": "BROMOCRIPTINE MESYLATE", "xref": ["InChIKey:NOJMTMIRQRDZMT-GSPXQYRGSA-N", "SMILES:CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O"], "synonym": ["Bromocriptine mesylate", "Bromocriptine mesilate", "Bromocriptine methanesulfonate", "2-bromoergocryptine mesylate", "Bromocriptine mesilate", "Bromocriptine mesylate", "Cb-154 mesilate", "CB-154 MESYLATE", "NSC-755915", "Bromocriptine mesylate", "Cycloset", "Parlodel", "Bromocriptine mesylate", "Bromocriptine mesylate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3182733", "category": ["biolink:ChemicalEntity"], "name": "PRAMIPEXOLE DIHYDROCHLORIDE", "xref": ["InChIKey:APVQOOKHDZVJEX-QTPLPEIMSA-N", "SMILES:CCCN[C@H]1CCc2nc(N)sc2C1.Cl.Cl.O"], "synonym": ["Pramipexole dihydrochloride", "Pramipexole dihydrochloride monohydrate", "Pramipexole dihydrochloride", "Pramipexole hydrochloride hydrate", "Pramipexole dihydrochloride anhydrous", "Pramipexole dihydrochloride monohydrate", "Daquiran", "Pramipexole accord", "Pramipexole dihydrochloride", "Pramipexole dihydrochloride monohydrate", "Pramipexole hydrochloride", "Pramipexole hydrochloride hydrate", "Pramipexole teva", "Sifrol", "PNU-98528E", "SND-919CL2Y", "SND919CL2Y", "Daquiran", "Mirapex", "Mirapex er", "Mirapexin", "Oprymea", "Pramipexole accord", "Pramipexole dihydrochloride", "Pramipexole teva", "Sifrol", "Pramipexole dihydrochloride", "Pramipexole dihydrochloride", "Pramipexole dihydrochloride monohydrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200411", "category": ["biolink:ChemicalEntity"], "name": "ROPINIROLE HYDROCHLORIDE", "xref": ["InChIKey:XDXHAEQXIBQUEZ-UHFFFAOYSA-N", "SMILES:CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl"], "synonym": ["Ropinirole hydrochloride", "Ropinirole hydrochloride", "Ropinirole hydrochloride", "Ropinirole hydrochloride", "Ropinirole hydrochloride", "Ropinirole (as hydrochloride)", "Ropinirole hcl", "Ropinirole hydrochloride", "SK&F 101468-A", "SK&F-101468-A", "Adartrel", "Aimpart xl", "Clevor", "Ipinnia xl", "Ralnea xl", "Raponer xl", "Repinex xl", "Requip", "Requip xl", "Ropilynz xl", "Ropinirole hydrochloride", "Spiroco xl", "Ropinirole hydrochloride", "Ropinirole hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1764", "category": ["biolink:ChemicalEntity"], "name": "LEVOMEPROMAZINE", "xref": ["InChIKey:VRQVVMDWGGWHTJ-CQSZACIVSA-N", "SMILES:COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2"], "synonym": ["Levomepromazine", "Levomepromazine", "Levomepromazine", "Levomepromazine", "Levomepromazine", "Levomepromazina", "Levomepromazine", "Levomepromazine", "Methotrimeprazine", "Neozine", "Nirvan", "CL 36467", "CL 39743", "CL-36467", "CL-39743", "N05AA02", "NSC-226516", "RP 7044", "RP-7044", "SK&F 5116", "SK&F-5116", "XP-03", "XP03", "Levoprome", "Levomepromazine", "Methotrimeprazine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3187985", "category": ["biolink:ChemicalEntity"], "name": "APOMORPHINE HYDROCHLORIDE", "xref": ["InChIKey:CXWQXGNFZLHLHQ-DPFCLETOSA-N", "SMILES:CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl.Cl.O"], "synonym": ["Apomorphine hydrochloride", "Apomorphine hydrochloride hemihydrate", "Apomorphine hydrochloride", "Apomorphine hydrochloride", "Apomorphine hydrochloride hydrate", "Apomorphine hydrochloride", "Apomorphine hydrochloride hemihydrate", "Apomorphine hcl", "Apomorphine hydrochloride", "Apomorphine hydrochloride hydrate", "Apomorphinum muriaticum", "Britaject", "Ixense", "Kw-6500", "Taluvian", "NSC-755875", "Apo-go", "Apo-go pen", "Apo-go pfs", "Apokyn", "Apomorph hcl", "Ixense", "Kynmobi", "Taluvian", "Uprima"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1303", "category": ["biolink:ChemicalEntity"], "name": "ROTIGOTINE", "xref": ["InChIKey:KFQYTPMOWPVWEJ-INIZCTEOSA-N", "SMILES:CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1"], "synonym": ["Rotigotine", "Rotigotine", "Rotigotine", "Rotigotine", "Rotigotine", "Rotigotina", "Rotigotine", "Rotigotine", "Leganto", "Rotigotine", "SPM 962", "SPM-962", "Leganto", "Neupro", "Rotigotine", "Rotigotine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL15891", "category": ["biolink:ChemicalEntity"], "name": "LINDANE", "xref": ["InChIKey:JLYXXMFPNIAWKQ-GNIYUCBRSA-N", "SMILES:Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl"], "synonym": ["Lindane", "Lindane", "Lindane", "Lindane", "Lindane", "Lindano", "Lindane", "Benzene hexachloride gamma", "Benzene hexachloride, gamma", "Gamma benzene hexachloride", "Gamma-hexachlorocyclohexane", "Gammahexachlorcyclohexane", "Gammallin", "Gammaxene", "Hexachlorane", "Hexicide", "Lindane", "Lindanum", "NSC-755895", "Esoderm", "Gamene", "Gamma benzene hydrochloride", "Gexane", "Kwell", "Lindane", "Lorexane", "Lorexane no 3", "Quellada", "Scabene", "Lindane", "Lindane"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2364024", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor"}
{"id": "CHEMBL.TARGET:CHEMBL2364025", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL1401", "category": ["biolink:ChemicalEntity"], "name": "NITAZOXANIDE", "xref": ["InChIKey:YQNQNVDNTFHQSW-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1"], "synonym": ["Nitazoxanide", "Nitazoxanide", "Nitazoxanide", "Nitazoxanide", "Nitazoxanide", "Nitazoxanida", "Nitazoxanide", "Nitazoxanide", "NSC-697855", "NSC-760057", "PH 5776", "PH-5776", "Alinia", "Nitazoxanide", "Nitazoxanide"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Pyruvate dehydrogenase [NADP(+)]", "xref": ["CHEMBL.TARGET:CHEMBL2364026"], "id": "UniProtKB:Q968X7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5807"]}
{"name": "Pyruvate:ferredoxin oxidoreductase", "synonym": ["pyruvate dehydrogenase (NADP(+))"], "xref": ["CHEMBL.TARGET:CHEMBL2364027"], "id": "UniProtKB:Q24982", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5741"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108546", "category": ["biolink:ChemicalEntity"], "name": "PEGASPARGASE", "synonym": ["Pegaspargase", "Pegaspargase", "Pegaspargase", "Pegaspargase", "Pegaspargase", "Pegaspargasa", "Asparaginase compd with polyethylene glycol", "Asparaginase e. coli compd with polyethylene glycol", "Peg-asparaginase", "Pegaspargase", "Oncaspar", "Pegaspargase"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364706", "category": ["biolink:SmallMolecule"], "name": "Asparagine"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108989", "category": ["biolink:ChemicalEntity"], "name": "ASPARAGINASE", "synonym": ["Asparaginase", "Colaspase", "Asparaginase", "Asparaginase", "Asparaginase", "L-asparaginase", "Asparaginase", "Asparaginase", "E. coli asparaginase", "E. coli l-asparaginase", "Escherichia coli l-asparaginase", "Kidrolase", "L-asparaginase", "L-asparagine amidohydrolase", "NSC-109229", "Elspar", "Spectrila", "Asparaginase"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201505", "category": ["biolink:ChemicalEntity"], "name": "FIBRINOLYSIN, HUMAN", "synonym": ["Fibrinolysin", "Fibrinolysin (human)", "Fibrinolysine (humaine)", "Fibrinolisina (humana)", "Plasmin", "Fibrinolysin", "Fibrinolysin human", "Fibrinolysin, human", "Plasmin (bos taurus)", "Plasmin (bovine)", "Plasmin (human)", "Plasmin bovine", "Thrombolysin."], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364709", "category": ["biolink:MacromolecularComplex"], "name": "Fibrinogen"}
{"id": "CHEMBL.COMPOUND:CHEMBL1863515", "category": ["biolink:ChemicalEntity"], "name": "GLUCARPIDASE", "synonym": ["Glucarpidase", "Glucarpidase", "Glucarpidase", "Glucarpidase", "Glucarpidasa", "Glucarpidase", ".gamma.-glu-x carboxypeptidase", "Carboxypeptidase g2", "Folate hydrolase g2", "Glucarpidase", "Voraxaze", "Voraxaze"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364710", "category": ["biolink:SmallMolecule"], "name": "Methotrexate"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201637", "category": ["biolink:ChemicalEntity"], "name": "LIPASE (PANCRELIPASE)", "synonym": ["Lipase (pancrelipase)"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364711", "category": ["biolink:SmallMolecule"], "name": "Fatty acids"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201651", "category": ["biolink:ChemicalEntity"], "name": "PROTAMINE SULFATE", "synonym": ["Protamine", "Protamine sulfate", "Protamine sulfate", "Protamine sulfate", "Sulfate de protamine", "Sulfato de protamina", "Novo protamine sulfate", "Protamine sulfate", "Protamine sulphate", "Protamines", "Protamini sulfas", "Prosulf", "Protamine sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364712", "category": ["biolink:MolecularEntity"], "name": "Heparin"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201575", "category": ["biolink:ChemicalEntity"], "name": "EFALIZUMAB", "synonym": ["Efalizumab", "Efalizumab", "Efalizumab", "Efalizumab", "Efalizumab", "Efalizumab", "Efalizumab", "ANTI-CD11A", "HU-1124", "HU1124", "Raptiva", "Efalizumab"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2364172", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-L/beta-2 (LFA-1)"}
{"id": "CHEMBL.TARGET:CHEMBL2364173", "category": ["biolink:MacromolecularComplex"], "name": "Amylin receptor AMY2; CALCR/RAMP2"}
{"id": "CHEMBL.TARGET:CHEMBL2363033", "category": ["biolink:MacromolecularComplex"], "name": "Topoisomerase IV"}
{"name": "Potassium channel subfamily K member 3", "xref": ["CHEMBL.TARGET:CHEMBL2321613"], "id": "UniProtKB:O14649", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989519", "category": ["biolink:ChemicalEntity"], "name": "DOXAPRAM HYDROCHLORIDE", "xref": ["InChIKey:ZOMBFZRWMLIDPX-UHFFFAOYSA-N", "SMILES:CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl.O"], "synonym": ["Doxapram hydrochloride", "Doxapram hydrochloride", "Doxapram hydrochloride", "Doxapram hydrochloride hydrate", "Doxapram hydrochloride monohydrate", "Doxapram hcl", "Doxapram hydrochloride", "Doxapram hydrochloride hydrate", "Stimulexin", "AHR-619", "NSC-170958", "NSC-760347", "Dopram", "Doxapram hydrochloride", "Doxapram hydrochloride", "Doxapram hydrochloride"], "chembl_availability_type": "prescription only"}
{"name": "Potassium channel subfamily K member 9", "xref": ["CHEMBL.TARGET:CHEMBL2321614"], "id": "UniProtKB:Q9NPC2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium channel subfamily K member 2", "xref": ["CHEMBL.TARGET:CHEMBL2321615"], "id": "UniProtKB:O95069", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255800", "category": ["biolink:ChemicalEntity"], "name": "FIDAXOMICIN", "xref": ["InChIKey:ZVGNESXIJDCBKN-UUEYKCAUSA-N", "SMILES:CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\\C=C\\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C"], "synonym": ["Fidaxomicin", "Fidaxomicin", "Fidaxomicin", "Fidaxomicin", "Fidaxomicin", "Fidaxomicine", "Fidaxomicina", "Fidaxomicin", "Fidaxomicin", "Fidaxomicin", "OPT-80", "PAR-101", "Dificid", "Dificlir", "Fidaxomicin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363852", "category": ["biolink:MacromolecularComplex"], "name": "DNA-directed RNA polymerase"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989551", "category": ["biolink:ChemicalEntity"], "name": "LINCOMYCIN HYDROCHLORIDE", "xref": ["InChIKey:LFZGYTBWUHCAKF-DCNJEFSFSA-N", "SMILES:CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)N(C)C1.Cl.O"], "synonym": ["Lincomycin hydrochloride", "Lincomycin hydrochloride", "Lincomycin hydrochloride hydrate", "Lincolnensin hydrochloride monohydrate", "Lincomycin hydrochloride anhdrous", "Lincomycin hydrochloride monohydrate", "Albiotic", "Lincolnensin hydrochloride", "Lincomix", "Lincomycin (as hydrochloride)", "Lincomycin hcl", "Lincomycin hydrochloride", "Lincomycin hydrochloride hydrate", "Lincomycin hydrochloride monohydrate", "Lincomycin hydrochloride usp", "NSC-70731", "NSC-757092", "Lincocin", "Lincomycin hydrochloride"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2363853", "category": ["biolink:MacromolecularComplex"], "name": "70S ribosome"}
{"id": "CHEMBL.COMPOUND:CHEMBL126", "category": ["biolink:ChemicalEntity"], "name": "LINEZOLID", "xref": ["InChIKey:TYZROVQLWOKYKF-ZDUSSCGKSA-N", "SMILES:CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1"], "synonym": ["Linezolid", "Linezolid", "Linezolid", "Linezolid", "Linezolid", "Linezolide", "Linezolid", "Linezolid", "Linezolid", "Pnu-100766", "U-100,766", "U-100766", "Linezolid", "Zyvox", "Linezolid", "Linezolid"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL564085", "category": ["biolink:ChemicalEntity"], "name": "TROLEANDOMYCIN", "xref": ["InChIKey:LQCLVBQBTUVCEQ-QTFUVMRISA-N", "SMILES:CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O"], "synonym": ["Troleandomycin", "Troleandomycin", "Troleandomycin", "Troleandomycin", "Troleandomycine", "Troleandomicina", "Triacetyloleandomycin", "Troleandomycin", "Acetyloleandomycin", "Oleandomycin (as troleandomycin)", "Oleandomycin triacetate ester", "Triacetyloleandomycin", "Troleandomycin", "NSC-108166", "Troleandomycin", "Troleandomycin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989823", "category": ["biolink:ChemicalEntity"], "name": "VIOMYCIN SULFATE", "xref": ["InChIKey:AQONYROJHRNYQQ-QMAPKBLTSA-N", "SMILES:NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O.O=S(=O)(O)O"], "synonym": ["Viomycin sulfate", "Florimycin sulfate", "Viomycin sulphate", "NSC-760360", "Viocin sulfate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2363965", "category": ["biolink:MacromolecularComplex"], "name": "70S ribosome"}
{"id": "CHEMBL.COMPOUND:CHEMBL2218913", "category": ["biolink:ChemicalEntity"], "name": "CAPREOMYCIN SULFATE", "xref": ["InChIKey:TUATYNXRYJTQTQ-BVRBKCERSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1.O=S(=O)(O)O.O=S(=O)(O)O"], "synonym": ["Capreomycin sulfate", "Capreomycin sulfate", "Capreomycin disulfate", "Capastat sulphate", "Capreomycin sulphate", "Capreomycin, sulfate (1:2) (salt)", "Capreomycin, sulfate (salt)", "Capreomycini sulfas", "Ogostal", "34977", "NSC-755904", "Capastat sulfate", "Capreomycin sulfate", "Capreomycin sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989564", "category": ["biolink:ChemicalEntity"], "name": "TOBRAMYCIN SULFATE", "xref": ["InChIKey:NZKFUBQRAWPZJP-BXKLGIMVSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O.NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"], "synonym": ["Tobramycin sulfate", "Tobramycin sulfate", "Gernebcin", "Nebicina", "Obracin", "Tobra", "Tobradistin", "Tobramycin sulfate", "Tobramycin sulfate (2:5)", "Tobramycin sulphate", "Nebcin", "Tobramycin sulfate", "Tobramycin sulfate (pharmacy bulk)"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364022", "category": ["biolink:MacromolecularComplex"], "name": "70S ribosome"}
{"id": "CHEMBL.COMPOUND:CHEMBL1747", "category": ["biolink:ChemicalEntity"], "name": "TOBRAMYCIN", "xref": ["InChIKey:NLVFBUXFDBBNBW-PBSUHMDJSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O"], "synonym": ["Tobramycin", "Tobramycin", "Tobramycin", "Tobramycin", "Tobramycin", "Tobramycin", "Tobramycine", "Tobramicina", "Tobramycin", "Tobramycin", "Nebramycin factor 6", "Nebramycin vi", "Tobramycin", "47663", "NSC-180514", "Aktob", "Bethkis", "Bramitob", "Kitabis pak", "Nebcin", "Nebicin", "Nebris", "Tobi", "Tobi podhaler", "Tobralex", "Tobramycin", "Tobramycin component of tobradex", "Tobramycin component of tobradex st", "Tobramycin component of tobrasone", "Tobramycin component of zylet", "Tobravisc", "Tobrex", "Tymbrineb", "Vantobra", "Vantobra (previously tobramycin pari)", "Tobramycin", "Tobramycin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201451", "category": ["biolink:ChemicalEntity"], "name": "ALBUMIN HUMAN", "synonym": ["Albumin", "Albumin human", "Albumin (bovine)", "Albumin (human)", "Albumin bovine", "Albumin human", "Albumin human. plasma-derived", "Albumin microspheres, human", "Albumin test", "Albumin, blood", "Albumin, bovine", "Albumin, human", "Albumin,human", "Albumin. plasma-derived", "Albumisol", "Albutein", "Allergen: bos d 6", "Bovine albumin", "Bovine serum albumin", "Bsa for protein quantitation", "Fraction v", "Human albumin", "Human serum albumin", "Normal human serum albumin", "Serum albumin", "Serum albumin bovine", "Albumin human component of abi-009", "Albuminar-5", "Buminate", "Plasbumin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364174", "category": ["biolink:SmallMolecule"], "name": "Bilirubin"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201625", "category": ["biolink:ChemicalEntity"], "name": "CHOLESTYRAMINE", "synonym": ["Colestyramine", "Colestyramine", "Cholestyramine", "Colestyramine", "Colestiramina", "Cholestyramine", "A-3384", "A3384", "Cholestyramine", "Colestyramine", "Colestyramine 20", "Cuemid", "A3384", "Cholestyramine", "Cholestyramine light", "Cholybar", "Duolite ap143 resin", "Locholest", "Locholest light", "Prevalite", "Questran", "Questran light"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364175", "category": ["biolink:SmallMolecule"], "name": "Bile acids"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201473", "category": ["biolink:ChemicalEntity"], "name": "COLESEVELAM HYDROCHLORIDE", "synonym": ["Colesevelam hydrochloride", "Colesevelam (as hydrochloride)", "Colesevelam hydrochloride", "Colesevelam hydrochloride", "Colesevelam hydrochloride", "Colesevelam hcl", "Colesevelam hydrochloride", "GT-31-104HB", "GT31-104HB", "IW-3718", "NSC-760126", "Cholestagel", "Welchol", "Colesevelam hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201474", "category": ["biolink:ChemicalEntity"], "name": "COLESTIPOL HYDROCHLORIDE", "synonym": ["Colestipol", "Colestipol hydrochloride", "Colestipol hydrochloride", "Colestipol", "Colestipol hydrochloride", "Colestipol hcl", "Colestipol hydrochloride", "NSC-147003", "Colestid", "Colestid flavored colestid", "Colestid orange", "Colestipol hydrochloride", "Flavored colestid", "Colestipol hydrochloride", "Colestipol hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201865", "category": ["biolink:ChemicalEntity"], "name": "VELAGLUCERASE ALFA", "synonym": ["Velaglucerase alfa", "Velaglucerase alfa", "Velaglucerase alfa", "Velaglucerase alfa", "Velaglucerasa alfa", "Velaglucerase alfa", "Velaglucerase alfa", "Ga-gcb", "Gagcb", "Velaglucerase alfa", "EC 3.2.1.45", "EC-3.2.1.45", "Vpriv", "Velaglucerase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364176", "category": ["biolink:SmallMolecule"], "name": "Glucocerebroside"}
{"id": "CHEMBL.COMPOUND:CHEMBL1964120", "category": ["biolink:ChemicalEntity"], "name": "TALIGLUCERASE ALFA", "synonym": ["Taliglucerase alfa", "Taliglucerase alfa", "Taliglucerasa alfa", "Taliglucerase alfa", "Taliglucerase alfa", "Uplyso", "PRGC-D", "PRGCD", "PRX-112", "Elelyso", "Taliglucerase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201632", "category": ["biolink:ChemicalEntity"], "name": "IMIGLUCERASE", "synonym": ["Imiglucerase", "Imiglucerase", "Imiglucerase", "Imiglucerase", "Imiglucerase", "Imiglucerasa", "Imiglucerase", "Abcertin", "Imiglucerase", "Isu abxis", "Isu-302", "Cerezyme", "Imiglucerase"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201633", "category": ["biolink:ChemicalEntity"], "name": "ALGLUCERASE", "synonym": ["Alglucerase", "Alglucerase", "Alglucerase", "Alglucerase", "Alglucerasa", "Alglucerase", "Alglucerase", "Alglucerase", "Ceredase", "Alglucerase"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201514", "category": ["biolink:ChemicalEntity"], "name": "PEGADEMASE BOVINE", "synonym": ["Pegademase", "Pegademase", "Pegademasa", "Pegademase", "Pegademase bovine", "Adagen", "Pegademase bovine"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364177", "category": ["biolink:SmallMolecule"], "name": "2'-deoxyadenosine"}
{"id": "CHEMBL.TARGET:CHEMBL2364178", "category": ["biolink:SmallMolecule"], "name": "Adenosine"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201822", "category": ["biolink:ChemicalEntity"], "name": "GALSULFASE", "synonym": ["Galsulfase", "Galsulfase", "Galsulfase", "Galsulfase", "Galsulfase", "Galsulfasa", "Arylsulfatase b galsulfase", "Argyplase", "Galsulfase", "N-acetylgalactosamine 4-sulfatase", "Neglazyme", "Aryplase", "Naglazyme", "Galsulfase"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364179", "category": ["biolink:MolecularEntity"], "name": "Dermatan sulfate"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201648", "category": ["biolink:ChemicalEntity"], "name": "AMYLASE (PANCRELIPASE)", "synonym": ["E1100", "Amylase (pancrelipase)"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364180", "category": ["biolink:MolecularEntity"], "name": "Starch"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201824", "category": ["biolink:ChemicalEntity"], "name": "ALGLUCOSIDASE ALFA", "synonym": ["Alglucosidase alfa", "Alglucosidase alfa", "Alglucosidase alfa", "Alglucosidase alfa", "Alglucosidase alfa", "Alglucosidasa alfa", "Alglucosidase alfa (genetical recombination)", "Acid .alpha.-glucosidase", ".alpha.-glucosidase", "Acid alpha glucosidase", "Alglucosidase", "Alglucosidase alfa", "Alpha-glucopyranosidase", "Alpha-glucosidase", "Glucosidase, alpha-", "Lumizyme", "Ndi 709", "Transglucosidase", "GZ419829", "RHGAA", "Myozyme", "Alglucosidase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201626", "category": ["biolink:ChemicalEntity"], "name": "CHYMOPAPAIN", "synonym": ["Chymopapain", "Chymopapain", "Chymopapain", "Chymopapaine", "Quimopapaina", "BAX 1526", "BAX-1526", "NSC-107079", "Chymodiactin", "Discase", "Chymopapain"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364181", "category": ["biolink:MolecularEntity"], "name": "Polypeptides"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201465", "category": ["biolink:ChemicalEntity"], "name": "CHYMOTRYPSIN", "synonym": ["Chymotrypsin", "Chymotrypsin", "Chymotrypsin", "Chymotrypsine", "Quimotripsina", "Chymotrypsin", ".alpha.-chymotrypsin", "Chymotrypsin", "Alpha chymar", "Catarase", "Chymar", "Chymoral", "Chymoral fte", "Deanase dc", "Zolyse", "Zonulysin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201482", "category": ["biolink:ChemicalEntity"], "name": "PROTEASE (PANCRELIPASE)", "synonym": ["Protease (pancrelipase)"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201487", "category": ["biolink:ChemicalEntity"], "name": "SACROSIDASE", "synonym": ["Sacrosidase", "Sacrosidase", "Sacrosidase", "Sacrosidasa", "Sacrosidase", ".beta.-fructofuranosidase", "Sacrosidase", "Sucraid", "Sacrosidase"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364182", "category": ["biolink:SmallMolecule"], "name": "Sucrose"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237025", "category": ["biolink:ChemicalEntity"], "name": "PEGLOTICASE", "synonym": ["Pegloticase", "Pegloticase", "Pegloticase", "Pegloticase", "Pegloticasa", "Pegloticase", "Krystexxa", "Pegloticase", "Krystexxa", "Puricase", "Pegloticase"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201492", "category": ["biolink:ChemicalEntity"], "name": "SEVELAMER HYDROCHLORIDE", "synonym": ["Sevelamer hydrochloride", "Sevelamer hydrochloride", "Sevelamer hydrochloride", "Sevelamer hydrochloride", "Sevelamer hcl", "Sevelamer hydrochloride", "GT-16-026A", "GT16-026A", "Renagel", "Tasermity", "Sevelamer hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2364184", "category": ["biolink:SmallMolecule"], "name": "Phosphate"}
{"id": "CHEMBL.COMPOUND:CHEMBL502097", "category": ["biolink:ChemicalEntity"], "name": "MIPOMERSEN SODIUM", "xref": ["InChIKey:OSGPYAHSKOGBFY-KMHHXCEHSA-A", "SMILES:COCCO[C@@H]1[C@H](SP(=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OCCOC)[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)[C@H](OCCOC)[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)C[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)C[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)C[C@@H]2SP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](OCCOC)[C@@H]2SP(=O)([O-])OC[C@@H]2O[C@H](n3cc(C)c(N)nc3=O)[C@@H](OCCOC)[C@H]2SP(=O)([O-])OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](OCCOC)[C@H]2SP(=O)([O-])OC[C@@H]2O[C@H](n3cc(C)c(N)nc3=O)[C@@H](OCCOC)[C@H]2SP(=O)([O-])OC[C@@H]2O[C@H](n3cc(C)c(N)nc3=O)[C@@H](OCCOC)[C@H]2O)[C@@H](COP(=O)([O-])S[C@H]2[C@@H](OCCOC)[C@H](n3cc(C)c(N)nc3=O)O[C@@H]2COP(=O)([O-])S[C@H]2[C@@H](OCCOC)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2CO)O[C@H]1n1cc(C)c(N)nc1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Mipomersen sodium", "Mipomersen sodium salt", "Mipomersen sodium", "ISIS 301012", "ISIS-301012", "Kynamro", "Mipomersen sodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364185", "category": ["biolink:NucleicAcidEntity"], "name": "Apo-B 100 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201512", "category": ["biolink:ChemicalEntity"], "name": "FOMIVIRSEN SODIUM", "synonym": ["Fomivirsen sodium", "Fomivirsen eicosasodium salt", "Fomivirsen na", "Fomivirsen sodium", "ISIS 2922", "ISIS-2922", "Vitravene preservative free", "Fomivirsen sodium"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2364186", "category": ["biolink:NucleicAcidEntity"], "name": "Major intermediate early region 2 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL797", "category": ["biolink:ChemicalEntity"], "name": "PHENSUXIMIDE", "xref": ["InChIKey:WLWFNJKHKGIJNW-UHFFFAOYSA-N", "SMILES:CN1C(=O)CC(c2ccccc2)C1=O"], "synonym": ["Phensuximide", "Phensuximide", "Phensuximide", "Phensuximide", "Fensuximida", "1-methyl-3-phenylsuccinimide", "Epimid", "Lifene", "Milonton", "Mirontin", "N-methyl-3-phenylpyrrolidinedione", "Phensuximid", "Racemic phensuximide", "Succitimal", "NSC-760079", "PM-334", "Milontin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2362995", "category": ["biolink:ProteinFamily"], "name": "Voltage-gated T-type calcium channel"}
{"id": "CHEMBL.COMPOUND:CHEMBL1100", "category": ["biolink:ChemicalEntity"], "name": "PARAMETHADIONE", "xref": ["InChIKey:VQASKUSHBVDKGU-UHFFFAOYSA-N", "SMILES:CCC1(C)OC(=O)N(C)C1=O"], "synonym": ["Paramethadione", "Paramethadione", "Paramethadione", "Parametadiona", "NSC-760129", "Paradione"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL697", "category": ["biolink:ChemicalEntity"], "name": "METHSUXIMIDE", "xref": ["InChIKey:AJXPJJZHWIXJCJ-UHFFFAOYSA-N", "SMILES:CN1C(=O)CC(C)(c2ccccc2)C1=O"], "synonym": ["Mesuximide", "Mesuximide", "Methsuximide", "Mesuximide", "Mesuximida", "NSC-760075", "Celontin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL696", "category": ["biolink:ChemicalEntity"], "name": "ETHOSUXIMIDE", "xref": ["InChIKey:HAPOVYFOVVWLRS-UHFFFAOYSA-N", "SMILES:CCC1(C)CC(=O)NC1=O"], "synonym": ["Ethosuximide", "Ethosuximide", "Ethosuximide", "Ethosuximide", "Ethosuximide", "Etosuximida", "Ethosuximide", "Ethosuximide", "Ethosuximide", "Ethosuximidum", "Pyknolepsinum", "CI-366", "CN-10,395", "CN-10395", "NSC-64013", "PM-671", "Emeside", "Ethosuximide", "Suxinutin", "Zarontin", "Ethosuximide", "Ethosuximide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL695", "category": ["biolink:ChemicalEntity"], "name": "TRIMETHADIONE", "xref": ["InChIKey:IRYJRGCIQBGHIV-UHFFFAOYSA-N", "SMILES:CN1C(=O)OC(C)(C)C1=O"], "synonym": ["Trimethadione", "Trimethadione", "Trimethadione", "Trimethadione", "Trimetadiona", "Absentol", "Epidione", "Minoaleviatin", "Tridone", "Trimethadionum", "A 2297", "J2.519D", "NSC-15799", "NSC-169503", "Tridione"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL284348", "category": ["biolink:ChemicalEntity"], "name": "DALFAMPRIDINE", "xref": ["InChIKey:NUKYPUAOHBNCPY-UHFFFAOYSA-N", "SMILES:Nc1ccncc1"], "synonym": ["Fampridine", "Fampridine", "Dalfampridine", "Fampridine", "Dalfampridine", "Fampridine", "Fampridina", "Dalfampridine", "Dalfampridine", "Fampridine", "Fampridine (4-aminopyridine)", "EL-970", "NSC-15041", "Ampyra", "Ampyra extended release", "Fampridine accord", "Fampyra", "Dalfampridine", "Dalfampridine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2362996", "category": ["biolink:ProteinFamily"], "name": "Voltage-gated potassium channel"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200728", "category": ["biolink:ChemicalEntity"], "name": "GUANIDINE HYDROCHLORIDE", "xref": ["InChIKey:PJJJBBJSCAKJQF-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)N"], "synonym": ["Guanidine hydrochloride", "Guanidine hydrochloride", "NSC-755884", "Guanidine hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108638", "category": ["biolink:ChemicalEntity"], "name": "RAXIBACUMAB", "synonym": ["Raxibacumab", "Raxibacumab", "Raxibacumab", "Raxibacumab", "Raxibacumab", "Abthrax", "Raxibacumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Protective antigen", "xref": ["CHEMBL.TARGET:CHEMBL5352"], "id": "UniProtKB:P13423", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1392"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201481", "category": ["biolink:ChemicalEntity"], "name": "PORFIMER SODIUM", "synonym": ["Porfimer sodium", "Porfimer sodium", "Porfimer sodium", "Porfimer sodium", "Porfimer sodium", "Porfimer sodium", "Porfimere sodique", "Porfimero de sodio", "Porfimer sodium", "Porfimer sodium", "Photobarr", "Photofrin ii", "Porfimer sodium", "Profimer sodium", "CL 184,116", "CL-184,116", "CL-184116", "Photobarr", "Photofrin", "Porfimer sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200582", "category": ["biolink:ChemicalEntity"], "name": "AMINOLEVULINIC ACID HYDROCHLORIDE", "xref": ["InChIKey:ZLHFONARZHCSET-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)CCC(=O)O"], "synonym": ["5-aminolevulinic acid hydrochloride", "Aminolevulinic acid hydrochloride", "Aminolevulinic acid hydrochloride", "Aminolevulinic acid hydrochloride", ".delta.-aminolevulinic acid hydrochloride", "5 ala hcl (trivial name)", "Alabel", "Alaglio", "Aminolevulinic acid hcl", "Aminolevulinic acid hydrochloride", "Gliolan", "NPC-07", "NSC-18509", "Ameluz", "Gleolan", "Gliolan", "Levulan", "Aminolevulinic acid hydrochloride", "Aminolevulinic acid hydrochloride"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314346", "category": ["biolink:ChemicalEntity"], "name": "VERTEPORFIN", "synonym": ["Verteporfin", "Verteporfin", "Verteporfin", "Verteporfin", "Verteporfin", "Verteporfin", "Verteporfine", "Verteporfina", "Verteporfin", "Verteporfin", "Bpd-ma", "Verteporfin", "CL 318,952", "CL-318952", "Visudyne", "Verteporfin", "Verteporfin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1746", "category": ["biolink:ChemicalEntity"], "name": "SODIUM PHENYLBUTYRATE", "xref": ["InChIKey:VPZRWNZGLKXFOE-UHFFFAOYSA-M", "SMILES:O=C([O-])CCCc1ccccc1.[Na+]"], "synonym": ["Sodium phenylbutyrate", "Sodium phenylbutyrate", "Sodium phenylbutyrate", "Sodium phenylbutyrate", "Sodium phenylbutyrate", "Sodium phenylbutyrate", "Sodium phenylbutyrate", "4-phenylbutyric acid, sodium salt", "Benzenebutanoic acid, sodium salt", "Olpruva", "Sodium phenylbutyrate", "ACER-001", "NSC-657802", "SODIUM PHENYLBUTYRATE COMPONENT OF AMX-0035", "SODIUM PHENYLBUTYRATE COMPONENT OF AMX0035", "Ambutyrate", "Ammonaps", "Buphenyl", "Olpruva", "Pheburane", "Sodium phenylbutyrate", "Sodium phenylbutyrate component of albrioza", "Sodium phenylbutyrate component of relyvrio", "Sodium phenylbutyrate", "Sodium phenylbutyrate"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989507", "category": ["biolink:ChemicalEntity"], "name": "EDETATE DISODIUM", "xref": ["InChIKey:OVBJJZOQPCKUOR-UHFFFAOYSA-L", "SMILES:O.O.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Na+].[Na+]"], "synonym": ["Sodium edetate", "Disodium edetate", "Chelest f-na", "Dinatrii edetas", "Disodium edetate dihydrate", "Disodium edetate hydrate", "Disodium edta", "Disodium edta dihydrate", "Dissolvine na2-p", "E-386", "Edeta bd", "Edetate disodium", "Edta disodium", "Edta disodium salt", "Ins no.386", "Ins-386", "Titriplex iii", "Versene na2 crystals", "NSC-759604", "Endrate", "Sodium versenate", "Versene na"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201154", "category": ["biolink:ChemicalEntity"], "name": "PROCHLORPERAZINE EDISYLATE", "xref": ["InChIKey:SWOUGRBFXFILIB-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O"], "synonym": ["Prochlorperazine edisylate", "Prochlorperazine edisilate", "Prochlorperazine edisylate salt", "NSC-757299", "Compazine", "Prochlorperazine edisylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200358", "category": ["biolink:ChemicalEntity"], "name": "SODIUM PHENYLACETATE", "xref": ["InChIKey:HZOREEUASZHZBI-UHFFFAOYSA-M", "SMILES:O=C([O-])Cc1ccccc1.[Na+]"], "synonym": ["Sodium phenylacetate", "Sodium phenylacetate", "Sodium phenylacetic acid", "NSC-3039", "Sodium phenylacetate component of ammonul", "Sodium phenylacetate component of ucephan", "Sodium phenylacetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1413", "category": ["biolink:ChemicalEntity"], "name": "CICLOPIROX", "xref": ["InChIKey:SCKYRAXSEDYPSA-UHFFFAOYSA-N", "SMILES:Cc1cc(C2CCCCC2)n(O)c(=O)c1"], "synonym": ["Ciclopirox", "Ciclopirox", "Ciclopirox", "Ciclopirox", "Ciclopirox", "Ciclopirox", "Cyclopirox", "HOE 296B", "HOE-296B", "Ciclopirox", "Loprox", "Penlac", "Ciclopirox", "Ciclopirox"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2096629", "category": ["biolink:ChemicalEntity"], "name": "PRUSSIAN BLUE INSOLUBLE", "synonym": ["Prussian blue", "Ferric hexacyanoferrate(ii)", "Ferric ferrocyanide", "Ferric hexacyanoferrate", "Ferrum cyanatum", "Insoluble prussian blue", "Iron(iii) ferrocyanide", "Radiogardase", "NSC-8665", "Antidotum-thallii-heyl", "Radiogardase (prussian blue)", "Prussian blue insoluble"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201093", "category": ["biolink:ChemicalEntity"], "name": "METHYL AMINOLEVULINATE HYDROCHLORIDE", "xref": ["InChIKey:UJYSYPVQHFNBML-UHFFFAOYSA-N", "SMILES:COC(=O)CCC(=O)CN.Cl"], "synonym": ["Methyl aminolevulinate hydrochloride", "Methyl aminolevulinate hydrochloride", "Methyl aminolevulinate hcl", "Methyl aminolevulinate hydrochloride", "P-1202", "Metvixia", "Methyl aminolevulinate hydrochloride"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2366381", "category": ["biolink:MolecularEntity"], "name": "Aluminium"}
{"name": "Fatty-acid amide hydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL2243"], "id": "UniProtKB:O00519", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1863514", "category": ["biolink:ChemicalEntity"], "name": "ASPARAGINASE ERWINIA CHRYSANTHEMI", "synonym": ["Asparaginase erwinia chrysanthemi (recombinant)-rywn", "Asparaginase erwinia chrysanthemi", "JZP-458", "crisantaspase (INN)", "Erwinase[r] erwinaze[tm]", "Rylaze", "Asparaginase erwinia chrysanthemi", "Asparaginase erwinia chrysanthemi (recombinant)"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108074", "category": ["biolink:ChemicalEntity"], "name": "PANCRELIPASE", "synonym": ["Lipancreatin", "Pancrelipase", "Pertzye", "Pancrelipase", "Pancrelipase"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108427", "category": ["biolink:ChemicalEntity"], "name": "MENOTROPINS", "synonym": ["Menotrophin", "Menotrophin", "Menotropins (fsh;lh)", "Follotropin", "Human follicle stimulating hormone", "Menotrophin", "Menotropins", "FSH", "HMG", "Gynogen hp", "Humegon", "Humog", "Menopur", "Merional", "Normegon", "Pergonal", "Pergonal low lh", "Repronex", "Menotropins", "Menotrophin", "Menotropins"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105712", "category": ["biolink:ChemicalEntity"], "name": "AFATINIB DIMALEATE", "xref": ["InChIKey:USNRYVNRPYXCSP-JUGPPOIOSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O"], "synonym": ["Afatinib dimaleate", "Afatinib dimaleate", "Afatinib maleate", "Afatinib dimaleate", "Afatinib dimaleate", "Afatinib maleate", "BIBW-2992 MA2", "BIBW-2992-MA2", "BIBW-2992MA2", "BIBW2992 MA2", "BIBW2992-MA2", "Gilotrif", "Giotrif", "Afatinib dimaleate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1213165", "category": ["biolink:ChemicalEntity"], "name": "DOLUTEGRAVIR SODIUM", "xref": ["InChIKey:UGWJRRXTMKRYNK-VSLILLSYSA-M", "SMILES:C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N12.[Na+]"], "synonym": ["Dolutegravir sodium", "Dolutegravir sodium", "Dolutegravir sodium", "Dolutegravir sodium salt", "Dolutegravir sodium", "Dovato", "GSK-1349572A", "GSK1349572A", "Dolutegravir sodium component of dovato", "Dolutegravir sodium component of juluca", "Dolutegravir sodium component of triumeq", "Tivicay", "Tivicay pd", "Dolutegravir sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107387", "category": ["biolink:ChemicalEntity"], "name": "VORTIOXETINE HYDROBROMIDE", "xref": ["InChIKey:VNGRUFUIHGGOOM-UHFFFAOYSA-N", "SMILES:Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1"], "synonym": ["Vortioxetine hydrobromide", "Vortioxetine hydrobromide", "Lu aa21004 hbr", "Lu-aa21004 hydrobromide", "LU AA 21004 HYDROBROMIDE", "LU-AA21004 HBR", "Lu AA21004 (HBr)", "Brintellix", "Trintellix", "Vortioxetine hydrobromide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107834", "category": ["biolink:ChemicalEntity"], "name": "RIOCIGUAT", "xref": ["InChIKey:WXXSNCNJFUAIDG-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N"], "synonym": ["Riociguat", "Riociguat", "Riociguat", "Riociguat", "Riociguat", "Riociguat", "Riociguat", "Riociguat", "BAY 63-2521", "BAY-63-2521", "Adempas", "Bay 63-2521", "Riociguat", "Riociguat"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103873", "category": ["biolink:ChemicalEntity"], "name": "MACITENTAN", "xref": ["InChIKey:JGCMEBMXRHSZKX-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1"], "synonym": ["Macitentan", "Macitentan", "Macitentan", "Macitentan", "Macitentan", "Macitentan", "Macitentan", "Macitentan", "ACT 064992", "ACT-064992", "Macitentan component of opsynvi", "Opsumit", "Macitentan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743048", "category": ["biolink:ChemicalEntity"], "name": "OBINUTUZUMAB", "synonym": ["Obinutuzumab", "Obinutuzumab", "Obinutuzumab", "Obinutuzumab", "Obinutuzumab", "Obinutuzumab", "Gazyva", "Obinutuzumab", "Ro5072759", "AFUTUZUMAB", "GA-101", "GA101", "HUMAB CD20", "HUMAB<CD20>", "HUMABCD20", "R-7159", "RG-7159", "RO 5072759", "RO 5072759 HUMAB<CD20>", "RO-5072759", "RO-5072759 HUMAB CD20", "RO-5072759 HUMAB<CD20>", "Gazyvaro", "Obinutuzumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1873475", "category": ["biolink:ChemicalEntity"], "name": "IBRUTINIB", "xref": ["InChIKey:XYFPWWZEPKGCCK-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"], "synonym": ["Ibrutinib", "Ibrutinib", "Ibrutinib", "Ibrutinib", "Ibrutinib", "Ibrutinib", "CRA-032765", "PC-32765", "PCI 32765", "PCI-32765", "PCI-32765-00", "Imbruvica", "Ibrutinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Tyrosine-protein kinase BTK", "xref": ["CHEMBL.TARGET:CHEMBL5251"], "id": "UniProtKB:Q06187", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137358", "category": ["biolink:ChemicalEntity"], "name": "SIMEPREVIR SODIUM", "xref": ["InChIKey:LLXQGDWGCCKOQP-MVZLLIIPSA-M", "SMILES:COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.[Na+]"], "synonym": ["Simeprevir sodium", "Simeprevir sodium", "TMC-435 SODIUM SALT", "Olysio"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL87992", "category": ["biolink:ChemicalEntity"], "name": "ESLICARBAZEPINE ACETATE", "xref": ["InChIKey:QIALRBLEEWJACW-INIZCTEOSA-N", "SMILES:CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21"], "synonym": ["Eslicarbazepine acetate", "Eslicarbazepine acetate", "Eslicarbazepine acetate", "Eslicarbazepine acetate", "Eslicarbazepine acetate", "BIA 2-093", "BIA-2-093", "BIA-2093", "SEP - 0002093", "SEP-0002093", "SEP0002093", "Aptiom", "Erelib", "Exalief", "Pazzul", "Stedesa", "Zebinix", "Eslicarbazepine acetate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105689", "category": ["biolink:ChemicalEntity"], "name": "LULICONAZOLE", "xref": ["InChIKey:YTAOBBFIOAEMLL-REQDGWNSSA-N", "SMILES:N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1"], "synonym": ["Luliconazole", "Luliconazole", "Luliconazole", "Luliconazol", "Luliconazole", "Luliconazole", "Lulicon", "Luliconazole", "NND-502", "PR-2699", "Luzu", "Luliconazole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL523299", "category": ["biolink:ChemicalEntity"], "name": "UMECLIDINIUM BROMIDE", "xref": ["InChIKey:PEJHHXHHNGORMP-UHFFFAOYSA-M", "SMILES:OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]"], "synonym": ["Umeclidinium bromide", "Umeclidinium brom", "Umeclidinium bromide", "Umeclidinium bromide", "Umeclidinium bromide", "Bromure d'umeclidinium", "Bromuro de umeclidinio", "Umeclidinium bromide", "Anoro ellipta", "Umeclidinium bromide", "GSK-573719A", "GSK573719A", "Incruse ellipta", "Incruse ellipta (previously incruse)", "Rolufta ellipta (previously rolufta)", "Umeclidinium bromide component of trelegy ellipta", "Umeclidinium bromide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1259059", "category": ["biolink:ChemicalEntity"], "name": "SOFOSBUVIR", "xref": ["InChIKey:TTZHDVOVKQGIBA-IQWMDFIBSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1"], "synonym": ["Sofosbuvir", "Sofosbuvir", "Sofosbuvir", "Sofosbuvir", "Sofosbuvir", "Sofosbuvir", "Sofosbuvir", "Sofosbuvir", "GS-7977", "GS7977", "PSI-7977", "Psi-7977, gs-7977", "Sofosbuvir component of epclusa", "Sofosbuvir component of harvoni", "Sofosbuvir component of vosevi", "Sovaldi", "Sofosbuvir"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2106615", "category": ["biolink:ChemicalEntity"], "name": "BAZEDOXIFENE ACETATE", "xref": ["InChIKey:OMZAMQFQZMUNTP-UHFFFAOYSA-N", "SMILES:CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12"], "synonym": ["Bazedoxifene acetate", "Bazedoxifene acetate", "Bazedoxifene acetate", "Bazedoxifene acetate", "Bazedoxifen acetate", "Bazedoxifene acetate", "Conbriza", "Duavive", "WAY-140424", "Bazedoxifene acetate component of duavee", "Conbriza", "Bazedoxifene acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989861", "category": ["biolink:ChemicalEntity"], "name": "DESVENLAFAXINE FUMARATE", "xref": ["InChIKey:YETWCSLOYUZBLK-JITBQSAISA-N", "SMILES:CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O.O=C(O)/C=C/C(=O)O"], "synonym": ["Desvenlafaxine fumarate", "Desvenlafaxine fumarate anhydrous", "O-desmethylvenlafaxine fumarate"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2146140", "category": ["biolink:ChemicalEntity"], "name": "ESOMEPRAZOLE STRONTIUM", "xref": ["InChIKey:NCGHIAKEJNQSMS-QLGOZJDFSA-N", "SMILES:COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.O.O.O.O.[Sr+2]"], "synonym": ["Esomeprazole strontium", "Esomeprazole strontium", "Hip1601", "S-omeprazole strontium hydrate", "FM-0F67", "FM0F67", "HIP-1601", "Esomeprazole strontium", "Esomeprazole strontium"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105732", "category": ["biolink:ChemicalEntity"], "name": "LEVOMILNACIPRAN HYDROCHLORIDE", "xref": ["InChIKey:XNCDYJFPRPDERF-NQQJLSKUSA-N", "SMILES:CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN.Cl"], "synonym": ["Levomilnacipran hydrochloride", "(1s,2r)-milnacipran hydrochloride", "Levomilnacipran hydrochloride", "F 2695 HYDROCHLORIDE", "F-2695 HYDROCHLORIDE", "F2695", "F2695 HYDROCHLORIDE", "Fetzima", "Levomilnacipran hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL139", "category": ["biolink:ChemicalEntity"], "name": "DICLOFENAC", "xref": ["InChIKey:DCOPUUMXTXDBNB-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl"], "synonym": ["Diclofenac", "Diclofenac", "Diclofenac", "Diclofenaco", "Diclofenac", "Arthrotec", "Diclofenac", "Diclofenac acid", "Diclofenac free acid", "Las41007", "LAS-41007", "LAS41007", "Voltaren ophthalmic", "Voltaren xr", "Zorvolex", "Zorvolex capsules", "Diclofenac"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL4802224", "category": ["biolink:ChemicalEntity"], "name": "FERRIC OXYHYDROXIDE", "synonym": ["Sucroferric oxyhydroxide", "Sucroferric oxyhydroxide", "Ferric oxyhydroxide", "Sucroferric oxyhydroxide", "Ferric oxyhydroxide", "Sucroferric oxyhydroxide", "Ferric hydroxide", "Sucroferric oxyhydroxide", "Ferric oxyhydroxide", "Sucroferric oxyhydroxide", "PA-21", "PA21", "Dexferrum", "Ferric oxyhydroxide component of ferric oxy-hydroxide (sbr-759 iron )", "Ferric oxyhydroxide component of pa-21 ferric oxy-hydroxide", "Ferric oxyhydroxide component of sbr759 (phosphate binder )", "Ferrite yellow 2939", "Ferrlecit", "Infed", "Iron dextran", "Proferdex", "Velphoro", "Venofer", "Sucroferric oxyhydroxide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL34259", "category": ["biolink:ChemicalEntity"], "name": "METHOTREXATE", "xref": ["InChIKey:FBOZXECLQNJBKD-ZDUSSCGKSA-N", "SMILES:CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"], "synonym": ["Methotrexate", "Methotrexate", "Methotrexate", "Methotrexate", "Methotrexate", "Methotrexate", "Metotrexato", "Methotrexate", "Methotrexate", "(r)-methotrexate", "Amethopterin", "D-amethopterin", "D-methotrexate", "Jylamvo", "Methotrexate", "Methotrexate, (r)-", "Methotrexate, d-", "Methotrexatum", "Methylaminopterin", "ADX-2191", "CL 14377", "CL-14377", "EMT-25299", "NSC-740", "R-9985", "Ebetrex", "Emtexate high-pot", "Emtexate pf", "Jylamvo", "Maxtrex", "Metoject", "Nordimet", "Otrexup", "Otrexup pfs", "Rasuvo", "Reditrex", "Zlatal", "Methotrexate", "Methotrexate", "R-methotrexate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Receptor tyrosine-protein kinase erbB-4", "xref": ["CHEMBL.TARGET:CHEMBL3009"], "id": "UniProtKB:Q15303", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200628", "category": ["biolink:ChemicalEntity"], "name": "VANCOMYCIN HYDROCHLORIDE", "xref": ["InChIKey:LCTORFDMHNKUSG-XTTLPDOESA-N", "SMILES:CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.Cl"], "synonym": ["Vancomycin hydrochloride", "Vancomycin hydrochloride", "Vancomycin monohydrochloride", "Firvanq", "Vancomycin (as hydrochloride)", "Vancomycin hcl", "Vancomycin hydrochloride", "Vancomycin, monohydrochloride", "NSC-757377", "Firvanq kit", "Vancocin", "Vancocin hydrochloride", "Vancocin matrigel", "Vancoled", "Vancomycin hydrochloride", "Vancor", "Vanoled"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3041361", "category": ["biolink:MolecularEntity"], "name": "Peptidoglycan"}
{"id": "CHEMBL.COMPOUND:CHEMBL514800", "category": ["biolink:ChemicalEntity"], "name": "APREMILAST", "xref": ["InChIKey:IMOZEMNVLZVGJZ-QGZVFWFLSA-N", "SMILES:CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC"], "synonym": ["Apremilast", "Apremilast", "Apremilast", "Apremilast", "Apremilast", "Apremilast", "Apremilast", "Apremilast", "CC-10004", "CC10004", "Apremilast accord", "Otezla", "Apremilast"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103827", "category": ["biolink:ChemicalEntity"], "name": "DROXIDOPA", "xref": ["InChIKey:QXWYKJLNLSIPIN-JGVFFNPUSA-N", "SMILES:N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1"], "synonym": ["Droxidopa", "Droxidopa", "Droxidopa", "Droxidopa", "Droxidopa", "Droxidopa", "L-threo-dops", "DOPS", "L-DOPS", "Northera", "Droxidopa"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103822", "category": ["biolink:ChemicalEntity"], "name": "TASIMELTEON", "xref": ["InChIKey:PTOIAAWZLUQTIO-GXFFZTMASA-N", "SMILES:CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2"], "synonym": ["Tasimelteon", "Tasimelteon", "Tasimelteon", "Tasimelteon", "Tasimelteon", "Tasimelteon", "BMS-214,778", "BMS-214778", "VEC-162", "Hetlioz", "Hetlioz lq", "Tasimelteon"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107067", "category": ["biolink:ChemicalEntity"], "name": "TESTOSTERONE UNDECANOATE", "xref": ["InChIKey:UDSFVOAUHKGBEK-CNQKSJKFSA-N", "SMILES:CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Testosterone undecanoate", "Testosterone undecanoate", "Testosterone undecanoate", "Kyzatrex", "Testosterone 17.beta.-undecylate", "Testosterone undecanoate", "Testosterone undecylate", "Testosterone, undecanoate (ester)", "Tlando", "MK-3033", "ORG 538", "ORG-538", "TSX-011", "Andriol", "Aveed", "Jatenzo", "Kyzatrex", "Nebido", "Restandol", "Restandol testocap", "Tlando", "Undestor", "Testosterone undecanoate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107857", "category": ["biolink:ChemicalEntity"], "name": "METRELEPTIN", "synonym": ["Metreleptin", "Metreleptin", "Metreleptin", "Metreleptin", "Metreleptine", "Metreleptina", "Metreleptin", "Metreleptin", "Leptin (human), n-methionyl-", "Metreleptin", "Myalept", "N-methionylleptin (human)", "R-METHULEPTIN", "Myalepta", "Metreleptin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Leptin receptor", "xref": ["CHEMBL.TARGET:CHEMBL5913"], "id": "UniProtKB:P48357", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743062", "category": ["biolink:ChemicalEntity"], "name": "RAMUCIRUMAB", "synonym": ["Ramucirumab", "Ramucirumab", "Ramucirumab", "Ramucirumab", "Ramucirumab", "Ramucirumab", "Ramucirumab", "Ramucirumab", "1121B", "IMC-1121B", "LY3009806", "Cyramza", "Ramucirumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743070", "category": ["biolink:ChemicalEntity"], "name": "SILTUXIMAB", "synonym": ["Siltuximab", "Siltuximab", "Siltuximab", "Siltuximab", "Siltuximab", "Siltuximab", "Siltuximab", "CLLB8", "CNTO-328", "CNTO328", "Sylvant", "Siltuximab"], "chembl_availability_type": "prescription only"}
{"name": "Interleukin-6", "xref": ["CHEMBL.TARGET:CHEMBL1795129"], "id": "UniProtKB:P05231", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107841", "category": ["biolink:ChemicalEntity"], "name": "ALBIGLUTIDE", "synonym": ["Albiglutide", "Albiglutide", "Albiglutide", "Albiglutide", "Albiglutide", "Albiglutida", "Albiglutide (genetical recombination)", "Albiglutide", "Albiglutide", "Tanzeum", "GSK-716155", "GSK716155", "Eperzan", "Albiglutide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108676", "category": ["biolink:ChemicalEntity"], "name": "ELOSULFASE ALFA", "synonym": ["Elosulfase alfa", "Elosulfase alfa", "Elosulfase alfa", "Recombinant human n-acetylgalactosamine-6-sulfatase", "Recombinant human n-acetylgalactosamine-6-sulfatase (rhgalns)", "Elosulfase alfa", "Elosulfase alfa", "Elosulfasa alfa", "Elosulfase alfa", "Chondroitin sulfatase", "Chondroitinase", "Chondrosulfatase", "E.c. 3.1.6.4", "Elosulfase alfa", "BMN 110", "BMN-110", "RHGALNS", "Bmn 110, rhgalns, n-acetylgalactosamine-6-sulfatase, chondroitinsulfatase, galactose-6-sulfate sulfatase, ec=3.1.6.4", "Vimizim", "Elosulfase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3140341", "category": ["biolink:MolecularEntity"], "name": "Keratan sulfate"}
{"id": "CHEMBL.TARGET:CHEMBL3140342", "category": ["biolink:MolecularEntity"], "name": "Chondroitin-6-sulfate"}
{"id": "CHEMBL.COMPOUND:CHEMBL408513", "category": ["biolink:ChemicalEntity"], "name": "BELINOSTAT", "xref": ["InChIKey:NCNRHFGMJRPRSK-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO"], "synonym": ["Belinostat", "Belinostat", "Belinostat", "Belinostat", "Belinostat", "NSC-726630", "NSC726630", "PX-105684", "PXD-101", "PXD101", "Beleodaq", "Belinostat"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989766", "category": ["biolink:ChemicalEntity"], "name": "ORITAVANCIN DIPHOSPHATE", "xref": ["InChIKey:PWTROOMOPLCZHB-BHYQHFGMSA-N", "SMILES:CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.O=P(O)(O)O.O=P(O)(O)O"], "synonym": ["Oritavancin diphosphate", "Oritavancin diphosphate", "Oritavancin diphosphate", "Nuvocid", "Oritavancin diphosphate", "Oritavancin phosphate", "LY-333328 DIPHOSPHATE", "LY333328 DIPHOSPHATE", "Kimyrsa", "Orbactiv", "Tenkasi (previously orbactiv)", "Oritavancin diphosphate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105743", "category": ["biolink:ChemicalEntity"], "name": "OLODATEROL HYDROCHLORIDE", "xref": ["InChIKey:KCEHVJZZIGJAAW-FERBBOLQSA-N", "SMILES:COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1.Cl"], "synonym": ["Olodaterol hydrochloride", "Olodaterol hydrochloride", "Olodaterol hydrochloride", "Olodaterol hydrochloride", "BI 1744 CL", "BI-1744 CL", "BI-1744-CL", "Striverdi respimat", "Olodaterol hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105669", "category": ["biolink:ChemicalEntity"], "name": "TEDIZOLID PHOSPHATE", "xref": ["InChIKey:QCGUSIANLFXSGE-GFCCVEGCSA-N", "SMILES:Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1"], "synonym": ["Tedizolid phosphate", "Tedizolid phosphate", "Tedizolid phosphate", "Tedizolid phosphate", "Tedizolid phosphate", "TR-701 FA", "TR-701-FA", "TR-701FA", "Sivextro", "Tedizolid phosphate"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103877", "category": ["biolink:ChemicalEntity"], "name": "EFINACONAZOLE", "xref": ["InChIKey:NFEZZTICAUWDHU-RDTXWAMCSA-N", "SMILES:C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1"], "synonym": ["Efinaconazole", "Efinaconazole", "Efinaconazole", "Efinaconazol", "Efinaconazole", "Efinaconazole", "Clenafin", "Efinaconazole", "IDP-108", "KP-103", "Jublia", "Efinaconazole"], "chembl_availability_type": "prescription only"}
{"name": "Lanosterol 14-alpha demethylase", "synonym": ["sterol 14alpha-demethylase"], "xref": ["CHEMBL.TARGET:CHEMBL3307221"], "id": "UniProtKB:F2SHH3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559305"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083659", "category": ["biolink:ChemicalEntity"], "name": "SUVOREXANT", "xref": ["InChIKey:JYTNQNCOQXFQPK-MRXNPFEDSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1"], "synonym": ["Suvorexant", "Suvorexant", "Suvorexant", "Suvorexant", "Suvorexant", "Suvorexant", "MK-4305", "MK4305", "Belsomra", "Suvorexant component of belsomra", "Suvorexant"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3307226", "category": ["biolink:ProteinFamily"], "name": "Orexin receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301650", "category": ["biolink:ChemicalEntity"], "name": "DALBAVANCIN HYDROCHLORIDE", "xref": ["InChIKey:PEXPCJWLNBNBNT-AXKGEONOSA-N", "SMILES:CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O.Cl"], "synonym": ["Dalbavancin hydrochloride", "Dalbavancin hydrochloride", "Dalbavancin hydrochloride", "Dalbavancin hydrochloride (1:1.6)", "Dalbavancin hydrochloride (5:8)", "Dalvance", "Xydalba"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107386", "category": ["biolink:ChemicalEntity"], "name": "VORAPAXAR SULFATE", "xref": ["InChIKey:NQRYCIGCIAWEIC-CKLVGUEFSA-N", "SMILES:CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1.O=S(=O)(O)O"], "synonym": ["Vorapaxar sulfate", "Vorapaxar sulfate", "Vorapaxar sulfate", "Vorapaxar sulfate", "Vorapaxar sulfate", "SCH 530348", "SCH-530348", "Zontivity", "Vorapaxar sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"name": "Proteinase-activated receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3974"], "id": "UniProtKB:P25116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107830", "category": ["biolink:ChemicalEntity"], "name": "EMPAGLIFLOZIN", "xref": ["InChIKey:OBWASQILIWPZMG-QZMOQZSNSA-N", "SMILES:OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Empagliflozin", "Empagliflozin", "Empagliflozin", "Empagliflozin", "Empagliflozin", "Empagliflozine", "Empagliflozina", "Empagliflozin", "Bi10773", "Empagliflozin", "BI 10773", "BI-10773", "Bi 10773", "Empagliflozin component of glyxambi", "Empagliflozin component of synjardy", "Empagliflozin component of trijardy xr", "Jardiance", "Empagliflozin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL443052", "category": ["biolink:ChemicalEntity"], "name": "TAVABOROLE", "xref": ["InChIKey:LFQDNHWZDQTITF-UHFFFAOYSA-N", "SMILES:OB1OCc2cc(F)ccc21"], "synonym": ["Tavaborole", "Tavaborole", "Tavaborole", "Tavaborol", "Tavaborole", "Tavaborole", "AN-2690", "AN2690", "SCH 900340", "SCH-900340", "Kerydin", "Tavaborole"], "chembl_availability_type": "prescription only"}
{"name": "Leucine-tRNA ligase", "synonym": ["leucine--tRNA ligase"], "xref": ["CHEMBL.TARGET:CHEMBL3307222"], "id": "UniProtKB:F2SF18", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559305"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403108", "category": ["biolink:ChemicalEntity"], "name": "CERITINIB", "xref": ["InChIKey:VERWOWGGCGHDQE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1"], "synonym": ["Ceritinib", "Ceritinib", "Ceritinib", "Ceritinib", "Ceritinib", "Ceritinib", "Ceritinib[mi]", "LDK-378", "LDK378", "NVP-LDK-378-NX", "NVP-LDK378-NX", "Zykadia", "Ceritinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107815", "category": ["biolink:ChemicalEntity"], "name": "TREPROSTINIL DIOLAMINE", "xref": ["InChIKey:RHWRWEUCEXUUAV-ZSESPEEFSA-N", "SMILES:CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O.OCCNCCO"], "synonym": ["Treprostinil diolamine", "Treprostinil diethanolamine", "Treprostinil diolamin", "Treprostinil diolamine", "UT-15C", "Orenitram", "Ut-15c", "Treprostinil diolamine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL373742", "category": ["biolink:ChemicalEntity"], "name": "VASOPRESSIN", "xref": ["InChIKey:KBZOIRJILGZLEJ-LGYYRGKSSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"], "synonym": ["Vasopressin", "Vasopressin injection", "Solute injectable de vasopressine", "Inyectable de vasopresina", "Arginine vasopressin", "Vasopressin", "Argipressin or lypressin", "Vasopressin", "Vasopressin, unspecified", "Beta-hypophamine", "Leiormone", "Vasophysin", "Vasopressin component of hbn-1", "Vasostrict"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2216870", "category": ["biolink:ChemicalEntity"], "name": "IDELALISIB", "xref": ["InChIKey:IFSDAJWBUCMOAH-HNNXBMFYSA-N", "SMILES:CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1"], "synonym": ["Idelalisib", "Idelalisib", "Idelalisib", "Idelalisib", "Idelalisib", "Gs-11cal-101", "Idelalisib", "CAL-101", "GS-1101", "Zydelig", "Idelalisib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform", "xref": ["CHEMBL.TARGET:CHEMBL3130"], "id": "UniProtKB:O00329", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723563", "category": ["biolink:ChemicalEntity"], "name": "ELIGLUSTAT TARTRATE", "xref": ["InChIKey:KUBARPMUNHKBIQ-VTHUDJRQSA-N", "SMILES:CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2.CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2.O=C(O)[C@H](O)[C@@H](O)C(=O)O"], "synonym": ["Eliglustat (as tartrate)", "Eliglustat tartrate", "Eliglustat tartrate", "Eliglustat tartrate", "Eliglustat hemitartrate", "Eliglustat tartrate", "GENZ 112638", "GENZ-112638", "Cerdelga", "Eliglustat tartrate component of cerdelga", "Eliglustat tartrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137343", "category": ["biolink:ChemicalEntity"], "name": "PEMBROLIZUMAB", "synonym": ["Pembrolizumab", "Pembrolizumab", "Pembrolizumab", "Pembrolizumab", "Pembrolizumab", "Pembrolizumab", "Pembrolizumab", "Pembrolizumab", "Pembrolizumab", "Pembrolizumab", "MK-3475", "PEMBROLIZUMAB COMPONENT OF KEYLYNK-010", "SCH-900475", "Keytruda", "Pembrolizumab component of mk 7684a", "Pembrolizumab component of mk-1308a", "Lambrolizumab", "Pembrolizumab"], "chembl_availability_type": "prescription only"}
{"name": "Programmed cell death protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3307223"], "id": "UniProtKB:Q15116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039504", "category": ["biolink:ChemicalEntity"], "name": "NINTEDANIB ESYLATE", "xref": ["InChIKey:MMMVNAGRWOJNMW-FJBFXRHMSA-N", "SMILES:CCS(=O)(=O)O.COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1"], "synonym": ["Nintedanib esylate", "Nintedanib esylate", "Nintedanib ethanesulfonate", "Nintedanib esilate", "Nintedanib ethanesulfonate", "Nintedanib accord", "Ofev", "Vargatef", "Nintedanib esylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2095217", "category": ["biolink:ProteinFamily"], "name": "Fibroblast growth factor receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2219416", "category": ["biolink:ChemicalEntity"], "name": "NALOXEGOL OXALATE", "xref": ["InChIKey:MNYIRXLCPODKLG-VUTNLTPYSA-N", "SMILES:C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5.O=C(O)C(=O)O"], "synonym": ["Naloxegol oxalate", "Naloxegol oxalate", "AZ-13337019 OXALATE", "AZ13337019 oxalate", "NKTR-118 oxalate", "NKTR-118-OXALATE", "Movantik", "Moventig", "Naloxegol oxalate component of movantik", "Naloxegol oxalate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2374220", "category": ["biolink:ChemicalEntity"], "name": "LEDIPASVIR", "xref": ["InChIKey:VRTWBAAJJOHBQU-KMWAZVGDSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C"], "synonym": ["Ledipasvir", "Ledipasvir", "Ledipasvir acetonate", "Ledipasvir", "Ledipasvir", "GS-5885", "Ledipasvir component of harvoni", "Ledipasvir"], "chembl_availability_type": "prescription only"}
{"name": "Nonstructural protein 5A", "xref": ["CHEMBL.TARGET:CHEMBL3307224"], "id": "UniProtKB:Q5L478", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3052230"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108027", "category": ["biolink:ChemicalEntity"], "name": "DULAGLUTIDE", "synonym": ["Dulaglutide", "Dulaglutide", "Dulaglutide", "Dulaglutide", "Dulaglutide", "Dulaglutida", "Dulaglutide", "Dulaglutide", "Dulaglutide", "LY-2189265", "LY2189265", "Dulaglutide component of trulicity", "Trulicity", "Dulaglutide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108677", "category": ["biolink:ChemicalEntity"], "name": "PEGINTERFERON BETA-1A", "synonym": ["Peginterferon beta-1a", "Peginterferon beta", "Peginterferon beta-1a", "Peginterferon beta-1a", "Peginterferon beta-1a", "Peginterferon beta-1a", "BIIB-017", "BIIB017", "Biib017", "Plegridy", "Peginterferon beta-1a"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743087", "category": ["biolink:ChemicalEntity"], "name": "VEDOLIZUMAB", "synonym": ["Vedolizumab", "Vedolizumab", "Vedolizumab", "Vedolizumab", "Vedolizumab", "Vedolizumab", "Vedolizumab", "LDP-02", "LDP02", "MLN-0002", "MLN-02", "MLN0002", "MLN02", "Entyvio", "Vedolizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL206253", "category": ["biolink:ChemicalEntity"], "name": "NETUPITANT", "xref": ["InChIKey:WAXQNWCZJDTGBU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"], "synonym": ["Netupitant", "Netupitant", "Netupitant", "Netupitant", "RO 67-3189/000", "RO-67-3189", "RO-67-3189/000", "RO-673189000", "Netupitant component of akynzeo", "Netupitant component of akynzeo capsule", "Netupitant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2145077", "category": ["biolink:ChemicalEntity"], "name": "IVABRADINE HYDROCHLORIDE", "xref": ["InChIKey:HLUKNZUABFFNQS-ZMBIFBSDSA-N", "SMILES:COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.Cl"], "synonym": ["Ivabradine hydrochloride", "Ivabradine hydrochloride", "Corlentor", "Ivabradine hcl", "AMG 998", "AMG-998", "S 16257", "S-16257-2", "Corlanor", "Corlentor", "Ivabradine accord", "Ivabradine anpharm", "Ivabradine jensonr", "Ivabradine zentiva", "Procoralan", "Ivabradine hydrochloride"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4", "xref": ["CHEMBL.TARGET:CHEMBL1250417"], "id": "UniProtKB:Q9Y3Q4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105704", "category": ["biolink:ChemicalEntity"], "name": "LENVATINIB MESYLATE", "xref": ["InChIKey:HWLFIUUAYLEFCT-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O.CS(=O)(=O)O"], "synonym": ["Lenvatinib mesilate", "Lenvatinib mesylate", "Lenvatinib mesylate", "Lenvatinib mesilate", "Lenvatinib methanesulfonate", "Lenvatinib mesilate", "Lenvatinib mesylate", "E-7080 MESYLATE", "E7080", "E7080 MESYLATE", "Kisplyx", "Lenvima", "Lenvatinib mesylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2159122", "category": ["biolink:ChemicalEntity"], "name": "ELUXADOLINE", "xref": ["InChIKey:QFNHIDANIVGXPE-FNZWTVRRSA-N", "SMILES:COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1C(=O)O"], "synonym": ["Eluxadoline", "Eluxadoline", "Eluxadoline", "Eluxadoline", "Eluxadoline", "Eluxadolina", "Eluxadoline", "Eluxadoline", "JNJ-27018966", "Truberzi", "Viberzi", "Eluxadoline"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL189963", "category": ["biolink:ChemicalEntity"], "name": "PALBOCICLIB", "xref": ["InChIKey:AHJRHEGDXFFMBM-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O"], "synonym": ["Palbociclib", "Palbociclib", "Palbociclib", "Palbociclib", "Palbociclib", "Palbociclib", "Palbociclib", "Palbociclib", "PD-0332991", "Ibrance", "Palbociclib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2111455", "category": ["biolink:MacromolecularComplex"], "name": "CDK6/cyclin D1"}
{"id": "CHEMBL.TARGET:CHEMBL1907601", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 4/cyclin D1"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105682", "category": ["biolink:ChemicalEntity"], "name": "EDOXABAN TOSYLATE", "xref": ["InChIKey:ZLFZITWZOYXXAW-QXXZOGQOSA-N", "SMILES:CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1"], "synonym": ["Edoxaban tosilate", "Edoxaban tosylate", "Edoxaban tosylate", "Edoxaban tosylate", "Edoxaban tosilate", "Edoxaban tosylate", "DU-176B", "Lixiana", "Roteas", "Savaysa", "Edoxaban tosylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108078", "category": ["biolink:ChemicalEntity"], "name": "PARATHYROID HORMONE", "synonym": ["Parathyroid hormone", "Parathyroid hormone", "Parathyroid hormone", "Parathyroid hormone", "Parathyroid hormone (rdna)", "Parathyroid hormone", "Parathyroid hormone", "Hormone parathyroide", "Hormona paratiroidea", "Parathyroid hormone", "Natpar", "Natpara", "Parathormone (human recombinant)", "Parathormonum", "Parathyroid", "Parathyroid hormone", "Parathyroid hormone (rdna)", "Pth (1-84)", "Pth (1-84) human", "Pth(1-84)", "Rhpth(1-84)", "ALX-1-11", "ALX-111", "ALX1-11", "NPSP-558", "NPSP558", "Natpar", "Preotact", "Parathyroid hormone", "Parathyroid hormone"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL521686", "category": ["biolink:ChemicalEntity"], "name": "OLAPARIB", "xref": ["InChIKey:FDLYAMZZIXQODN-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1"], "synonym": ["Olaparib", "Olaparib", "Olaparib", "Olaparib", "Olaparib", "Olaparib", "Olaparib", "Olaparib", "AZ-2281", "AZ2281", "AZD-2281", "AZD2281", "KU-0059436", "KU-59436", "NSC-747856", "OLAPARIB COMPONENT OF KEYLYNK-010", "Lynparza", "Olaparib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3390820", "category": ["biolink:ProteinFamily"], "name": "PARP 1, 2 and 3"}
{"id": "CHEMBL.COMPOUND:CHEMBL1742992", "category": ["biolink:ChemicalEntity"], "name": "BLINATUMOMAB", "synonym": ["Blinatumomab", "Blinatumomab", "Blinatumomab", "Blinatumomab", "Blinatumomab", "Blinatumomab", "Blinatumomab", "Blincyto", "AMG-103", "AMG103", "MEDI-538", "MEDI538", "MT-103", "MT103", "Blincyto", "Blinatumomab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "B-lymphocyte antigen CD19", "xref": ["CHEMBL.TARGET:CHEMBL3390821"], "id": "UniProtKB:P15391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107817", "category": ["biolink:ChemicalEntity"], "name": "AVIBACTAM SODIUM", "xref": ["InChIKey:RTCIKUMODPANKX-JBUOLDKXSA-M", "SMILES:NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-].[Na+]"], "synonym": ["Avibactam sodium", "Avibactam sodium salt", "Avibactam sodium", "Nxl 104", "NXL104", "Avibactam sodium component of avycaz", "Nxl-104", "Avibactam sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3127326", "category": ["biolink:ChemicalEntity"], "name": "OMBITASVIR", "xref": ["InChIKey:PIDFDZJZLOTZTM-KHVQSSSXSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C"], "synonym": ["Ombitasvir", "Ombitasvir", "Ombitasvir", "Ombitasvir", "ABT-267", "Ombitasvir component of technivie", "Ombitasvir component of viekirax", "Ombitasvir"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108738", "category": ["biolink:ChemicalEntity"], "name": "NIVOLUMAB", "synonym": ["Nivolumab", "Nivolumab", "Nivolumab", "Nivolumab", "Nivolumab", "Nivolumab", "Nivolumab", "Nivolumab", "BMS-936558", "BMS-986298", "MDX-1106", "MDX1106", "ONO-4538", "Nivolumab bms", "Nivolumab component of bms-986213", "Nivolumab component of opdualag", "Opdivo", "Nivolumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743068", "category": ["biolink:ChemicalEntity"], "name": "SECUKINUMAB", "synonym": ["Secukinumab", "Secukinumab", "Secukinumab", "Secukinumab", "Secukinumab", "Secukinumab", "Cosentyx", "Secukinumab", "AIN-457", "AIN457", "AIN457A", "Cosentyx", "Secukinumab"], "chembl_availability_type": "prescription only"}
{"name": "Interleukin-17A", "xref": ["CHEMBL.TARGET:CHEMBL3390822"], "id": "UniProtKB:Q16552", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137342", "category": ["biolink:ChemicalEntity"], "name": "DINUTUXIMAB", "synonym": ["Dinutuximab", "Dinutuximab", "Dinutuximab", "Dinutuximab", "Dinutuximab", "Ch14.18", "ch14.18-UTC", "Unituxin", "Dinutuximab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3390823", "category": ["biolink:SmallMolecule"], "name": "Disialoganglioside GD2"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137333", "category": ["biolink:ChemicalEntity"], "name": "ISAVUCONAZONIUM SULFATE", "xref": ["InChIKey:LWXUIUUOMSMZKJ-KLFWAVJMSA-M", "SMILES:CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1.O=S(=O)([O-])O"], "synonym": ["Isavuconazonium sulfate", "Isavuconazonium sulfate", "Ak1820", "Isavuconazonium sulfate", "AK-1820", "AK1820", "BAL-8557-002", "BAL8557-002", "Cresemba", "Isavuconazonium sulfate"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"name": "Lanosterol 14-alpha demethylase", "synonym": ["sterol 14alpha-demethylase"], "xref": ["CHEMBL.TARGET:CHEMBL3390824"], "id": "UniProtKB:G4WW85", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5061"]}
{"name": "Lanosterol 14-alpha demethylase", "xref": ["CHEMBL.TARGET:CHEMBL3390825"], "id": "UniProtKB:A0A0A1P6P0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:58291"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301597", "category": ["biolink:ChemicalEntity"], "name": "FERRIC CITRATE", "synonym": ["Ferric citrate", "Ferric citrate", "Ferric citrate coordination complex", "Ferric citrate", "Ferric citrate", "Auryxia", "Fexeric"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989402", "category": ["biolink:ChemicalEntity"], "name": "PERAMIVIR", "xref": ["InChIKey:RFUCJKFZFXNIGB-ZBBHRWOZSA-N", "SMILES:CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N.O.O.O"], "synonym": ["Peramivir", "Peramivir", "Peramivir", "Peramivir hydrate", "Peramivir trihydrate", "Peramivir", "Peramivir hydrate", "Peramivir trihydrate", "Rapiacta", "BCX-1812", "Alpivab", "Rapivab", "Peramivir"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1908370", "category": ["biolink:ChemicalEntity"], "name": "FINAFLOXACIN", "xref": ["InChIKey:FYMHQCNFKNMJAV-HOTGVXAUSA-N", "SMILES:N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"], "synonym": ["Finafloxacin", "Finafloxacin", "Finafloxacine", "Finafloxacino", "Finafloxacin", "Finafloxacin", "AL-60371", "Xtoro"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL3038508", "category": ["biolink:MacromolecularComplex"], "name": "Topoisomerase IV"}
{"id": "CHEMBL.TARGET:CHEMBL3390827", "category": ["biolink:MacromolecularComplex"], "name": "Topoisomerase IV"}
{"id": "CHEMBL.TARGET:CHEMBL3038482", "category": ["biolink:MacromolecularComplex"], "name": "DNA gyrase"}
{"id": "CHEMBL.TARGET:CHEMBL3390828", "category": ["biolink:MacromolecularComplex"], "name": "DNA gyrase"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545368", "category": ["biolink:ChemicalEntity"], "name": "PANOBINOSTAT LACTATE", "xref": ["InChIKey:XVDWNSFFSMWXJJ-ASTDGNLGSA-N", "SMILES:CC(O)C(=O)O.Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1"], "synonym": ["Panobinostat lactate", "Panobinostat lactate anhydrous", "Panobinostat lactate", "Panobinostat lactate", "Panobinostat lactate", "Panobinostat lactate anhydrous", "Farydak"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544985", "category": ["biolink:ChemicalEntity"], "name": "DASABUVIR SODIUM MONOHYDRATE", "xref": ["InChIKey:SJHKKWUESHNTBB-UHFFFAOYSA-M", "SMILES:COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[n-]c2=O)cc1C(C)(C)C.O.[Na+]"], "synonym": ["Dasabuvir sodium monohydrate", "Dasabuvir sodium", "Dasabuvir sodium monohydrate", "ABT-333 SODIUM MONOHYDRATE", "Exviera"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1097279", "category": ["biolink:ChemicalEntity"], "name": "CANGRELOR TETRASODIUM", "xref": ["InChIKey:COWWROCHWNGJHQ-OPKBHZIBSA-J", "SMILES:CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Cangrelor tetrasodium", "Cangrelor tetrasodium salt", "Cangrelor tetrasodium", "Kengrexal", "AR-C69931MX", "Kengrexal", "Cangrelor tetrasodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103870", "category": ["biolink:ChemicalEntity"], "name": "LUMACAFTOR", "xref": ["InChIKey:UFSKUSARDNFIRC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1"], "synonym": ["Lumacaftor", "Lumacaftor", "Lumacaftor", "Lumacaftor", "VRT 826809", "VRT-826809", "VRT826809", "VX 809", "VX-809", "VX809", "Lumacaftor component of orkambi", "Lumacaftor"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137301", "category": ["biolink:ChemicalEntity"], "name": "SACUBITRIL", "xref": ["InChIKey:PYNXFZCZUAOOQC-UTKZUKDTSA-N", "SMILES:CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O"], "synonym": ["Sacubitril", "Sacubitril", "Sacubitrilo", "Sacubitril", "Sacubitril", "Sacubitril", "AHU-377", "AHU377", "Sacubitril component of entresto", "Sacubitril"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Neprilysin", "xref": ["CHEMBL.TARGET:CHEMBL1944"], "id": "UniProtKB:P08473", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105760", "category": ["biolink:ChemicalEntity"], "name": "BREXPIPRAZOLE", "xref": ["InChIKey:ZKIAIYBUSXZPLP-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1"], "synonym": ["Brexpiprazole", "Brexpiprazole", "Brexpiprazole", "Brexpiprazole", "Brexpiprazol", "Brexpiprazole", "Brexpiprazole", "Brexpiprazole", "OPC-34712", "Rexulti", "Rxulti", "Brexpiprazole"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL406393", "category": ["biolink:ChemicalEntity"], "name": "DEOXYCHOLIC ACID", "xref": ["InChIKey:KXGVEGMKQFWNSR-LLQZFEROSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "synonym": ["Deoxycholic acid", "Deoxycholic acid", "Deoxycholic acid", "Acide desoxycholique", "Acido desoxicolico", "Deoxycholic acid", "Desoxycholic acid", "Deoxycholic acid", "ATX-101", "ATX-101 (DEOXYCHOLIC ACID)", "DWJ-211", "DWJ211", "NSC-8797", "Kybella", "Deoxycholic acid", "Deoxycholic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3390826", "category": ["biolink:CellularComponent"], "name": "Cell membrane"}
{"id": "CHEMBL.COMPOUND:CHEMBL1213250", "category": ["biolink:ChemicalEntity"], "name": "CEFTOLOZANE SULFATE", "xref": ["InChIKey:UJDQGRLTPBVSFN-TVNHLQOTSA-N", "SMILES:Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1.O=S(=O)(O)O"], "synonym": ["Ceftolozane sulfate", "CXA-101 (FOR SULFATE)", "FR-264205", "FR264205", "Ceftolozane sulfate component of zerbaxa", "Ceftolozane sulfate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200800", "category": ["biolink:ChemicalEntity"], "name": "CALCIUM ACETATE", "xref": ["InChIKey:VSGNNIFQASZAOI-UHFFFAOYSA-L", "SMILES:CC(=O)[O-].CC(=O)[O-].[Ca+2]"], "synonym": ["Calcium acetate", "Calcium acetate", "E263", "Calcium acetate", "Calcium acetate", "Acetic acid, calcium salt", "Acetic acid, calcium salt (2:1)", "Calcarea acetica", "Calcium acetate", "Calcium acetate anhydrous", "Calcium acetate, anhydrous", "E-263", "FEMA NO. 2228", "INS NO.263", "INS-263", "Calcium acetate", "Calcium acetate component of procalamine", "Eliphos", "Everose", "Phosex", "Phoslo", "Phoslo gelcaps", "Phoslyra", "Renacet"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201130", "category": ["biolink:ChemicalEntity"], "name": "BETAINE HYDROCHLORIDE", "xref": ["InChIKey:HOPSCVCBEOCPJZ-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CC(=O)O.[Cl-]"], "synonym": ["Betaine hydrochloride", "Betaine hydrochloride", "Betaine hydrochloride", "Betaine hcl", "Betaine hydrochloride", "Betainum muriaticum", "NSC-32191", "NSC-3976", "Acidol pepsin"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3391661", "category": ["biolink:ProteinFamily"], "name": "Betaine-homocysteine S-methyltransferase"}
{"id": "CHEMBL.COMPOUND:CHEMBL296419", "category": ["biolink:ChemicalEntity"], "name": "ASTEMIZOLE", "xref": ["InChIKey:GXDALQBWZGODGZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1"], "synonym": ["Astemizole", "Astemizole", "Astemizole", "Astemizole", "Astemizol", "Astemizole", "GNF-Pf-2461", "NSC-329963", "NSC-759570", "R 43,512", "Hismanal", "Pollon-eze", "Astemizole", "Astemizole"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1534525", "category": ["biolink:ChemicalEntity"], "name": "MIBEFRADIL DIHYDROCHLORIDE", "xref": ["InChIKey:MTJLQTFHJIHXIX-GDUXWEAWSA-N", "SMILES:COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C.Cl.Cl"], "synonym": ["Mibefradil dihydrochloride", "Mibefradil hydrochloride", "RO 40-5967/001", "RO-40-5967/001", "Posicor", "Mibefradil dihydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3391662", "category": ["biolink:ChemicalEntity"], "name": "PARITAPREVIR", "xref": ["InChIKey:UAUIUKWPKRJZJV-QPLHLKROSA-N", "SMILES:Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1"], "synonym": ["Paritaprevir", "Paritaprevir", "Paritaprevir", "Paritaprevir", "Veruprevir", "Veruprevir anhydrous", "ABT-450", "Paritaprevir component of technivie", "Paritaprevir component of viekirax", "Paritaprevir"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL547", "category": ["biolink:ChemicalEntity"], "name": "ISOTRETINOIN", "xref": ["InChIKey:SHGAZHPCJJPHSC-XFYACQKRSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)O)C(C)(C)CCC1"], "synonym": ["Isotretinoin", "Isotretinoin", "Isotretinoin", "Isotretinoin", "Isotretinoin", "Isotretinoine", "Isotretinoina", "Isotretinoin", "Retinoic acid 13-cis-form", "13 cis-retinoic acid", "13-cis-retinoic acid", "Isotretinoin", "Retinoic acid, 13-cis-", "Vitamin a acid, 13-cis", "NSC-758156", "PAT-001", "RO 4-3780", "RO-4-3780", "RO-43780", "Absorica", "Absorica ld", "Accutane", "Amnesteem", "Claravis", "Isotrex", "Myorisan", "Roaccutane", "Sotret", "Zenatane", "Isotretinoin", "Isotretinoin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Inward rectifier potassium channel 2", "xref": ["CHEMBL.TARGET:CHEMBL1914276"], "id": "UniProtKB:P63252", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glycerol-3-phosphate dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3391681"], "id": "UniProtKB:P43304", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Anoctamin-1", "xref": ["CHEMBL.TARGET:CHEMBL2046267"], "id": "UniProtKB:Q5XXA6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200467", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYZINE PAMOATE", "xref": ["InChIKey:ASDOKGIIKXGMNB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1"], "synonym": ["Hydroxyzine pamoate", "Hydroxyzine embonate", "NSC-757063", "\"hy-pam \"\"25\"\"\"", "Hy-pam", "Hy-pam \"25\"", "Hydroxyzine pamoate", "Vistaril"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200434", "category": ["biolink:ChemicalEntity"], "name": "OXTRIPHYLLINE", "xref": ["InChIKey:RLANKEDHRWMNRO-UHFFFAOYSA-M", "SMILES:C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O"], "synonym": ["Choline theophyllinate", "Choline theophyllinate", "Oxtriphylline", "Choline theophyllinate", "Theophyllinate de choline", "Teofilinato de colina", "Choline theophylline", "Cholinophyllin", "Theocolin", "NSC-760431", "Choledyl", "Choledyl sa", "Oxtriphylline", "Oxtriphylline pediatric", "Sabidal"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2096647", "category": ["biolink:ChemicalEntity"], "name": "LANTHANUM CARBONATE", "synonym": ["Lanthanum carbonate", "Lanthanum carbonate", "Lanthanum carbonate", "Lanthanum carbonate hydrate", "Lanthanum carbonate", "Dilanthanum tricarbonate hydrate", "Foznol", "Lanthanum (iii) carbonate hydrate", "Lanthanum carbonate", "Lanthanum carbonate (la2(co3)3)", "Lanthanum carbonate anhydrous", "Lanthanum carbonate hydrate", "Lanthanum carbonate pentahydrate", "Lanthanum carbonate tetrahydrate", "Lanthanum sesquicarbonate", "Lanthanum(3 ) carbonate", "Phosbloc", "BAY77-1931", "Fosrenol", "Lanthanum carbonate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2303621", "category": ["biolink:ChemicalEntity"], "name": "DACLATASVIR DIHYDROCHLORIDE", "xref": ["InChIKey:BVZLLUDATICXCI-JMSCDMLISA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.Cl.Cl"], "synonym": ["Daclatasvir dihydrochloride", "Daclatasvir dihydrochloride", "Daclatasvir hydrochloride", "Daclatasvir dihydrochloride", "Daclatasvir dihydrochloride", "Daclatasvir hydrochloride", "BMS 790052-05", "BMS-790052-05", "Daklinza", "Daclatasvir dihydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103802", "category": ["biolink:ChemicalEntity"], "name": "DAPAGLIFLOZIN PROPANEDIOL", "xref": ["InChIKey:GOADIQFWSVMMRJ-UPGAGZFNSA-N", "SMILES:CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1.C[C@H](O)CO.O"], "synonym": ["Dapagliflozin propanediol", "Dapagliflozin propanediol monohydrate", "Dapagliflozin propylene glycolate hydrate", "Dapagliflozin compound with (2s)-1,2-propanediol hydrate", "Dapagliflozin propanediol", "BMS-512148-05", "Dapagliflozin propanediol component of xigduo", "Edistride", "Farxiga", "Forxiga"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314382", "category": ["biolink:ChemicalEntity"], "name": "PASIREOTIDE PAMOATE", "xref": ["InChIKey:HSXBEUMRBMAVDP-QKXVGOHISA-N", "SMILES:NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O"], "synonym": ["Pasireotide pamoate", "Pasireotide embonate", "SOM-230 PAMOATE", "SOM230 PAMOATE", "Signifor lar", "Signifor lar kit"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544986", "category": ["biolink:ChemicalEntity"], "name": "PERINDOPRIL ARGININE", "xref": ["InChIKey:RYCSJJXKEWBUTI-YDYAIEMNSA-N", "SMILES:CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC.N=C(N)NCCC[C@H](N)C(=O)O"], "synonym": ["Perindopril arginine", "Perindopril arginine", "Perindopril arginine", "Perindopril arginine component of prestalia"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137317", "category": ["biolink:ChemicalEntity"], "name": "SONIDEGIB PHOSPHATE", "xref": ["InChIKey:RWIVSVMMGFFZIJ-VWDRLOGHSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1.O=P(O)(O)O.O=P(O)(O)O"], "synonym": ["Sonidegib diphosphate", "Sonidegib phosphate", "Sonidegib phosphate", "Erismodegib phosphate", "Sonidegib diphosphate", "Odomzo", "Sonidegib phosphate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109540", "category": ["biolink:ChemicalEntity"], "name": "ALIROCUMAB", "synonym": ["Alirocumab", "Alirocumab", "Alirocumab", "Alirocumab", "Alirocumab", "Alirocumab", "Alirocumab", "Alirocumab", "REGN-727", "REGN727", "SAR-236553", "SAR236553", "Praluent", "Alirocumab"], "chembl_availability_type": "prescription only"}
{"name": "Proprotein convertase subtilisin/kexin type 9", "xref": ["CHEMBL.TARGET:CHEMBL2929"], "id": "UniProtKB:Q8NBP7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024517", "category": ["biolink:ChemicalEntity"], "name": "CARIPRAZINE HYDROCHLORIDE", "xref": ["InChIKey:GPPJWWMREQHLQT-BHQIMSFRSA-N", "SMILES:CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.Cl"], "synonym": ["Cariprazine hydrochloride", "Cariprazine hydrochloride", "Cariprazine hcl", "RGH-188 HCL", "Reagila", "Vraylar", "Cariprazine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2364655", "category": ["biolink:ChemicalEntity"], "name": "EVOLOCUMAB", "synonym": ["Evolocumab", "Evolocumab", "Evolocumab", "Evolocumab", "Evolocumab", "Evolocumab", "Evolocumab", "AMG-145", "Repatha", "Repatha sureclick", "Evolocumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707330", "category": ["biolink:ChemicalEntity"], "name": "ROLAPITANT HYDROCHLORIDE", "xref": ["InChIKey:GZQWMYVDLCUBQX-WVZIYJGPSA-N", "SMILES:C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.O"], "synonym": ["Rolapitant hydrochloride", "Rolapitant hydrochloride", "Rolapitant hydrochloride", "Rolapitant hcl h20", "Rolapitant hydrochloride", "Rolapitant hydrochloride monohydrate", "SCH-619734", "SCH619734", "Varubi", "Varuby", "Rolapitant hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL65375", "category": ["biolink:ChemicalEntity"], "name": "TIPIRACIL HYDROCHLORIDE", "xref": ["InChIKey:KGHYQYACJRXCAT-UHFFFAOYSA-N", "SMILES:Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl"], "synonym": ["Tipiracil hydrochloride", "Tipiracil hydrochloride", "Tipiracil hydrochloride", "TAS-1-462", "TPI", "Tipiracil hydrochloride component of lonsurf", "Tipiracil hydrochloride component of s-95005", "Tipiracil hydrochloride component of tas-102", "Tipiracil hydrochloride"], "chembl_availability_type": "prescription only"}
{"name": "Thymidine phosphorylase", "xref": ["CHEMBL.TARGET:CHEMBL3106"], "id": "UniProtKB:P19971", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107869", "category": ["biolink:ChemicalEntity"], "name": "INSULIN DEGLUDEC", "synonym": ["Insulin degludec", "Insulin degludec", "Insulin degludec", "Insulin degludec", "Insuline degludec", "Insulina degludec", "Insulin degludec", "NN-1250", "NN1250", "Ins tresiba", "Insulin degludec component of ryzodeg 70/30", "Insulin degludec component of xultophy 100/3.6", "Tresiba", "Insulin degludec"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2219425", "category": ["biolink:ChemicalEntity"], "name": "ARIPIPRAZOLE LAUROXIL", "xref": ["InChIKey:DDINXHAORAAYAD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21"], "synonym": ["Aripiprazole lauroxil", "Aripiprazole lauroxil", "Aripiprazole lauroxil", "Aristada initio", "ALKS 9072", "ALKS-9070", "ALKS-9072", "RDC-3317", "RDC3317", "Aristada", "Aristada initio kit", "Aripiprazole lauroxil"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544996", "category": ["biolink:ChemicalEntity"], "name": "IDARUCIZUMAB", "synonym": ["Idarucizumab", "Idarucizumab", "Idarucizumab", "Idarucizumab", "Idarucizumab", "Idarucizumab", "Adabi-fab", "Idarucizumab", "BI 655075", "BI-655075", "BI655075", "Praxbind", "Idarucizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3545433", "category": ["biolink:SmallMolecule"], "name": "Dabigatran"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107840", "category": ["biolink:ChemicalEntity"], "name": "PATIROMER CALCIUM", "synonym": ["Patiromer calcium", "Patiromer calcium", "Patiromer calcium", "Patiromere calcique", "Patiromero calcico", "Patiromer calcium", "RLY-5016", "RLY5016", "Patiromer calcium"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3545434", "category": ["biolink:MolecularEntity"], "name": "Potassium"}
{"id": "CHEMBL.COMPOUND:CHEMBL450449", "category": ["biolink:ChemicalEntity"], "name": "TRABECTEDIN", "xref": ["InChIKey:PKVRCIRHQMSYJX-AIFWHQITSA-N", "SMILES:COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@H]2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1O)N2C)OCO4"], "synonym": ["Trabectedin", "Trabectedin", "Trabectedin", "Trabectedin", "Trabectedin", "Trabectedine", "Trabectedina", "Ecteinascidins trabectedin", "Ecteinascidin 743", "Et743", "Trabectedin", "ET-743", "NSC-648766", "Yondelis", "Trabectedin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108311", "category": ["biolink:ChemicalEntity"], "name": "ASFOTASE ALFA", "synonym": ["Asfotase alfa", "Asfotase alfa", "Asfotase alfa", "Asfotase alfa", "Asfotase alfa", "Asfotasa alfa", "Asfotase alfa", "Asfotase alfa", "Asfotase alfa", "ALXN-1215", "ALXN1215", "ENB-0040", "Strensiq", "Asfotase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3545435", "category": ["biolink:SmallMolecule"], "name": "Pyrophosphate"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108429", "category": ["biolink:ChemicalEntity"], "name": "MEPOLIZUMAB", "synonym": ["Mepolizumab", "Mepolizumab", "Mepolizumab", "Mepolizumab", "Mepolizumab", "Mepolizumab", "Mepolizumab", "Mepolizumab", "SB-240563", "Bosatria", "Nucala", "Mepolizumab"], "chembl_availability_type": "prescription only"}
{"name": "Interleukin-5", "xref": ["CHEMBL.TARGET:CHEMBL1169600"], "id": "UniProtKB:P05113", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364637", "category": ["biolink:ChemicalEntity"], "name": "TENOFOVIR ALAFENAMIDE FUMARATE", "xref": ["InChIKey:SVUJNSGGPUCLQZ-FQQAACOVSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1.CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1.O=C(O)/C=C/C(=O)O"], "synonym": ["Tenofovir alafenamide fumarate", "Tenofovir alafenamide fumarate", "Tenofovir alafenamide fumarate", "Tenofovir alafenamide fumarate", "Tenofovir alafenamide fumarate", "Vemlidy", "GS-7340 HEMIFUMARATE", "GS-7340-03", "Tenofovir alafenamide fumarate component of biktarvy", "Tenofovir alafenamide fumarate component of descovy", "Tenofovir alafenamide fumarate component of genvoya", "Tenofovir alafenamide fumarate component of odefsey", "Tenofovir alafenamide fumarate component of symtuza", "Vemlidy", "Tenofovir alafenamide fumarate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2364607", "category": ["biolink:ChemicalEntity"], "name": "COBIMETINIB FUMARATE", "xref": ["InChIKey:RESIMIUSNACMNW-BXRWSSRYSA-N", "SMILES:O=C(O)/C=C/C(=O)O.O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1.O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1"], "synonym": ["Cobimetinib fumarate", "Cobimetinib hemifumarate", "Cobimetinib fumarate", "Cobimetinib hemifumarate", "Gdc-0973 hemifumarate", "Xl-518 hemifumarate", "Cotellic", "Cobimetinib fumarate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545063", "category": ["biolink:ChemicalEntity"], "name": "OSIMERTINIB MESYLATE", "xref": ["InChIKey:FUKSNUHSJBTCFJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.CS(=O)(=O)O"], "synonym": ["Osimertinib mesilate", "Osimertinib mesylate", "Osimertinib mesylate", "Osimertinib mesilate", "Osimertinib mesylate", "Mereletinib mesilate", "Mereletinib mesylate", "Osimertinib mesilate", "Osimertinib mesylate", "AZD-9291 MESYLATE", "AZD9291 mesylate", "Tagrisso", "Osimertinib mesylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743007", "category": ["biolink:ChemicalEntity"], "name": "DARATUMUMAB", "synonym": ["Daratumumab", "Daratumumab", "Daratumumab", "Daratumumab", "Daratumumab", "Daratumumab", "Daratumumab", "Daratumumab-fihj", "Darzalex", "3003-005", "HUMAX-CD 38", "HUMAXCD38", "HuMax-CD38", "Daratumumab component of darzalex faspro", "Darzalex", "Daratumumab"], "chembl_availability_type": "prescription only"}
{"name": "ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL4660"], "id": "UniProtKB:P28907", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545432", "category": ["biolink:ChemicalEntity"], "name": "IXAZOMIB CITRATE", "xref": ["InChIKey:MBOMYENWWXQSNW-AWEZNQCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1"], "synonym": ["Ixazomib citrate", "Ixazomib citrate", "Ixazomib citrate", "Ixazomib citrate", "Ixazomib citrate", "MLN-9708", "MLN9708", "Ninlaro", "Ixazomib citrate"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743047", "category": ["biolink:ChemicalEntity"], "name": "NECITUMUMAB", "synonym": ["Necitumumab", "Necitumumab", "Necitumumab", "Necitumumab", "Necitumumab", "Necitumumab", "Necitumumab", "Portrazza", "11F8", "IMC-11F8", "Portrazza", "Necitumumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743010", "category": ["biolink:ChemicalEntity"], "name": "ELOTUZUMAB", "synonym": ["Elotuzumab", "Elotuzumab", "Elotuzumab", "Elotuzumab", "Elotuzumab", "Elotuzumab", "Empliciti", "BMS-901608", "HULUC63", "PDL-063", "PDL063", "Empliciti", "Elotuzumab"], "chembl_availability_type": "prescription only"}
{"name": "SLAM family member 7", "xref": ["CHEMBL.TARGET:CHEMBL3559386"], "id": "UniProtKB:Q9NQ25", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039537", "category": ["biolink:ChemicalEntity"], "name": "SEBELIPASE ALFA", "synonym": ["Sebelipase alfa", "Sebelipase alfa", "Sebelipase alfa", "Sebelipase alfa", "Sebelipase alfa", "Sebelipasa alfa", "Sebelipase alfa", "Sebelipase alfa", "Sebelipase alfa", "SBC-102", "Kanuma", "Sebelipase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3559388", "category": ["biolink:MolecularEntity"], "name": "Cholesterol ester"}
{"id": "CHEMBL.TARGET:CHEMBL3559389", "category": ["biolink:MolecularEntity"], "name": "Triglyceride"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707320", "category": ["biolink:ChemicalEntity"], "name": "ALECTINIB HYDROCHLORIDE", "xref": ["InChIKey:GYABBVHSRIHYJR-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.Cl"], "synonym": ["Alectinib hydrochloride", "Alectinib hydrochloride", "AF-802 HYDROCHLORIDE", "CH-5424802 HYDROCHLORIDE", "Alecensa"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107374", "category": ["biolink:ChemicalEntity"], "name": "SUGAMMADEX SODIUM", "xref": ["InChIKey:KMGKABOMYQLLDJ-WXBCEIQXSA-F", "SMILES:O=C([O-])CCSC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)C(O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]9CSCCC(=O)[O-])O[C@@H]8CSCCC(=O)[O-])O[C@@H]7CSCCC(=O)[O-])O[C@@H]6CSCCC(=O)[O-])O[C@@H]5CSCCC(=O)[O-])O[C@@H]4CSCCC(=O)[O-])O[C@@H]3CSCCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Sugammadex sodium", "Sugammadex sodium", "Sugammadex sodium", "Sugammadex octasodium salt", "Sugammadex sodium", "ORG 25969", "ORG-25969", "ORG25969", "Bridion", "Sugammadex adroiq", "Sugammadex amomed", "Sugammadex fresenius kabi", "Sugammadex mylan", "Sugammadex piramal", "Sugammadex sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3559390", "category": ["biolink:SmallMolecule"], "name": "Rocuronium"}
{"id": "CHEMBL.TARGET:CHEMBL3559391", "category": ["biolink:SmallMolecule"], "name": "Vecuronium"}
{"id": "CHEMBL.COMPOUND:CHEMBL238804", "category": ["biolink:ChemicalEntity"], "name": "SELEXIPAG", "xref": ["InChIKey:QXWZQTURMXZVHJ-UHFFFAOYSA-N", "SMILES:CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1"], "synonym": ["Selexipag", "Selexipag", "Selexipag", "Selexipag", "Selexipag", "Selexipag", "Selexipag", "ACT-293987", "NS-304", "Uptravi", "Selexipag"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105720", "category": ["biolink:ChemicalEntity"], "name": "LESINURAD", "xref": ["InChIKey:FGQFOYHRJSUHMR-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12"], "synonym": ["Lesinurad", "Lesinurad", "Lesinurad", "Lesinurad", "Lesinurad", "Lesinurad", "RDEA 594", "RDEA-594", "RDEA594", "Lesinurad component of duzallo", "Zurampic", "Lesinurad"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL52885", "category": ["biolink:ChemicalEntity"], "name": "ENMD-981693", "xref": ["InChIKey:OVSKGTONMLKNPZ-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21"], "synonym": ["Enmd-2076 free base", "Enmd-981693", "Mkc 1", "ENMD 981693", "MKC-1", "R-440", "RO 31-7453", "RO-31-7453", "Ro-317453"], "chembl_natural_product": true}
{"name": "Aurora kinase A", "xref": ["CHEMBL.TARGET:CHEMBL4722"], "id": "UniProtKB:O14965", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314403", "category": ["biolink:ChemicalEntity"], "name": "ARRY-502", "xref": ["InChIKey:QIDYUNXQPQEJEC-IBGZPJMESA-N", "SMILES:COc1cc(Cl)ccc1CCNC(=O)c1ccc(Oc2cc3c(cc2Cl)[C@@H](C(=O)O)CCO3)cc1"], "synonym": ["Arry-502", "ARRY-502", "ARRY502"]}
{"name": "Prostaglandin D2 receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5071"], "id": "UniProtKB:Q9Y5Y4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545237", "category": ["biolink:ChemicalEntity"], "name": "HE3235", "xref": ["InChIKey:CKAXZOYFIHQCBN-UQOAMHMYSA-N", "SMILES:C#C[C@]1(O)CCC2C3CCC4CC(O)CC[C@]4(C)C3CC[C@@]21C"], "synonym": ["Apoptone", "He 3235", "He3235", "HE-3235", "Apotone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1721885", "category": ["biolink:ChemicalEntity"], "name": "SU-014813", "xref": ["InChIKey:CTNPALGJUAXMMC-PMFHANACSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1"], "synonym": ["Su-014813", "Su-14813"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216981", "category": ["biolink:ChemicalEntity"], "name": "NAVARIXIN ANHYDROUS", "xref": ["InChIKey:RXIUEIPPLAFSDF-CYBMUJFWSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1"], "synonym": ["Navarixin (anhydrous)", "Navarixine", "Navarixina", "Navarixin anhydrous", "MK-7123", "MK7123", "SCH-527123", "SCH527123", "Navarixin anhydrous"]}
{"name": "C-X-C chemokine receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL2434"], "id": "UniProtKB:P25025", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545097", "category": ["biolink:ChemicalEntity"], "name": "SAPANISERTIB", "xref": ["InChIKey:GYLDXIAOMVERTK-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21"], "synonym": ["Sapanisertib", "Ink-128", "Mln-0128", "Sapanisertib", "CB-228", "INK-128", "INK128", "MLN-0128", "MLN0128", "TAK-228", "Sapanisertib"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein kinase mTOR", "xref": ["CHEMBL.TARGET:CHEMBL2842"], "id": "UniProtKB:P42345", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL536151", "category": ["biolink:ChemicalEntity"], "name": "IMD-0354", "xref": ["InChIKey:CHILCFMQWMQVAL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O"], "synonym": ["Imd-0354", "TCMDC-125465"]}
{"name": "Inhibitor of nuclear factor kappa-B kinase subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL1991"], "id": "UniProtKB:O14920", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545383", "category": ["biolink:ChemicalEntity"], "name": "RG-7167", "synonym": ["Rg-7167"]}
{"id": "CHEMBL.TARGET:CHEMBL2111289", "category": ["biolink:ProteinFamily"], "name": "Dual specificity mitogen-activated protein kinase kinase; MEK1/2"}
{"id": "CHEMBL.COMPOUND:CHEMBL2143592", "category": ["biolink:ChemicalEntity"], "name": "BMS-794833", "xref": ["InChIKey:PDYXPCKITKHFOZ-UHFFFAOYSA-N", "SMILES:Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl"], "synonym": ["Bms-794833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL146506", "category": ["biolink:ChemicalEntity"], "name": "MOFAROTENE", "xref": ["InChIKey:OUQPTBCOEKUHBH-LSDHQDQOSA-N", "SMILES:C/C(=C\\c1ccc(OCCN2CCOCC2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C"], "synonym": ["Mofarotene", "Mofaroteno", "Ro-408757", "RO 40-8757", "RO408757"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545355", "category": ["biolink:ChemicalEntity"], "name": "CHF4227", "xref": ["InChIKey:ZUDXUNPSRMREOJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(Cc3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc3OC2)cc1"], "synonym": ["Chf4227"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545173", "category": ["biolink:ChemicalEntity"], "name": "IRX4310", "synonym": ["Irx4310"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545174", "category": ["biolink:ChemicalEntity"], "name": "GSK2881078", "synonym": ["Gsk2881078"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545046", "category": ["biolink:ChemicalEntity"], "name": "GSK2849466", "synonym": ["Gsk2849466"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170587", "category": ["biolink:ChemicalEntity"], "name": "VK5211", "xref": ["InChIKey:OPSIVAKKLQRWKC-VXGBXAGGSA-N", "SMILES:N#Cc1ccc(N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F"], "synonym": ["Ligandrol", "Vk 5211", "Vk-5211", "Vk5211", "LGD-4033"]}
{"id": "CHEMBL.COMPOUND:CHEMBL37676", "category": ["biolink:ChemicalEntity"], "name": "APC-100", "xref": ["InChIKey:SEBPXHSZHLFWRL-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2"], "synonym": ["2,2,5,7,9-pentamethyl-6-chromanol", "Apc-100", "Chromane c1", "APC-100", "NSC-226236"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2178100", "category": ["biolink:ChemicalEntity"], "name": "GLPG0492", "xref": ["InChIKey:VAJGULUVTFDTAS-GOSISDBHSA-N", "SMILES:CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(CO)c1ccccc1"], "synonym": ["Glpg-0492", "Glpg0492", "(-)-GLPG-0492", "DT-200", "G 100192", "GLPG0492"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2346976", "category": ["biolink:ChemicalEntity"], "name": "AZD3514", "xref": ["InChIKey:JMEYDSHPKCSIJC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1"], "synonym": ["Azd 3514", "Azd3514", "AZD-3514", "CS-1443"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467888", "category": ["biolink:ChemicalEntity"], "name": "LGD-2941", "xref": ["InChIKey:HWLLYFXDDGGHOE-BCSUUIJWSA-N", "SMILES:C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1"], "synonym": ["Lgd-2941", "LGD-122941", "LGD122941"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360975", "category": ["biolink:ChemicalEntity"], "name": "BMS-779788", "xref": ["InChIKey:JLPURTXCSILYLW-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(C(C)(C)c2ccccc2Cl)n1"], "synonym": ["Bms-779788", "BMS 788", "EXEL 04286652", "EXEL-04286652", "XL 652", "XL-014", "XL-652"]}
{"name": "Oxysterols receptor LXR-beta", "xref": ["CHEMBL.TARGET:CHEMBL4093"], "id": "UniProtKB:P55055", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945199", "category": ["biolink:ChemicalEntity"], "name": "BMS-852927", "xref": ["InChIKey:HNAJDMYOTDNOBK-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2F)c(C(C)(C)c2c(Cl)cccc2Cl)n1"], "synonym": ["Bms-852927", "EXEL-04541041", "XL-041", "XL-652"]}
{"name": "Oxysterols receptor LXR-alpha", "xref": ["CHEMBL.TARGET:CHEMBL2808"], "id": "UniProtKB:Q13133", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456237", "category": ["biolink:ChemicalEntity"], "name": "LXR-623", "xref": ["InChIKey:KYWWJENKIMRJBI-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1"], "synonym": ["Lx-623", "Lx623", "Lxr-623", "Way252623", "WAY-252623"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545238", "category": ["biolink:ChemicalEntity"], "name": "CS-8080", "synonym": ["Cs-8080"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272621", "category": ["biolink:ChemicalEntity"], "name": "HYODEOXYCHOLIC_ACID", "xref": ["InChIKey:DGABKXLVXPYZII-SIBKNCMHSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Hyodeoxycholic acid", ".alpha.-hyodeoxycholic acid", "Hdca", "Hyodeoxycholic acid", "Hyodeoxycholic_acid", "Hyodesoxycholic acid", "AHRO-001", "NSC-60672"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3822773", "category": ["biolink:ChemicalEntity"], "name": "PX-102", "xref": ["InChIKey:XBUXXJUEBFDQHD-NHCUHLMSSA-N", "SMILES:O=C(O)c1ccc([C@H]2C[C@@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1"], "synonym": ["Px-102"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454138", "category": ["biolink:ChemicalEntity"], "name": "TUROFEXORATE ISOPROPYL", "xref": ["InChIKey:INASOKQDNHHMRE-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21"], "synonym": ["Turofexorate isopropyl", "Turofexorate d'isopropyle", "Turofexorato de isopropilo", "Turofexorate isopropyl", "FXR-450", "WAY-362450", "XL-335", "XL335", "Turofexorate isopropyl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL271220", "category": ["biolink:ChemicalEntity"], "name": "CORT 108297", "xref": ["InChIKey:SLKURXRZHJOZOD-RUZDIDTESA-N", "SMILES:CCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2"], "synonym": ["Cort 108297", "ADS-108297", "CORT-108297"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068611", "category": ["biolink:ChemicalEntity"], "name": "RELACORILANT", "xref": ["InChIKey:WANIDIGFXJFFEL-SANMLTNESA-N", "SMILES:Cn1cc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)cn1"], "synonym": ["Relacorilant", "Cort 125134", "Cort-125134", "Relacorilant", "CORT125134", "Relacorilant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215331", "category": ["biolink:ChemicalEntity"], "name": "PF-03882845", "xref": ["InChIKey:XNULRSOGWPFPBL-REWPJTCUSA-N", "SMILES:N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@@H]3[C@@H]2C2CCCC2)cc1Cl"], "synonym": ["Pf-03882845", "PF-3882845"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545239", "category": ["biolink:ChemicalEntity"], "name": "PF-05019702", "synonym": ["Pf-05019702", "PRA-027", "WAY-257027"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545295", "category": ["biolink:ChemicalEntity"], "name": "AVE0847", "synonym": ["Ave0847"]}
{"name": "Peroxisome proliferator-activated receptor delta", "xref": ["CHEMBL.TARGET:CHEMBL3979"], "id": "UniProtKB:Q03181", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544958", "category": ["biolink:ChemicalEntity"], "name": "CER-002", "synonym": ["Cer-002"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545114", "category": ["biolink:ChemicalEntity"], "name": "KD3010", "synonym": ["Kd3010"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545176", "category": ["biolink:ChemicalEntity"], "name": "DB959", "synonym": ["Db959", "T3D-959"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545357", "category": ["biolink:ChemicalEntity"], "name": "JTE-151", "synonym": ["Jte-151"]}
{"name": "Nuclear receptor ROR-gamma", "xref": ["CHEMBL.TARGET:CHEMBL1741186"], "id": "UniProtKB:P51449", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314405", "category": ["biolink:ChemicalEntity"], "name": "CLX-0921", "xref": ["InChIKey:IVAQJHSXBVHUQT-ZVHZXABRSA-N", "SMILES:COC(=O)/C(=C/c1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1"], "synonym": ["Clx-0921", "THR-0921"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261331", "category": ["biolink:ChemicalEntity"], "name": "RESMETIROM", "xref": ["InChIKey:FDBYIYFVSAHJLY-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O"], "synonym": ["Resmetirom", "Resmetirom", "Mgl-3196", "Resmetirom", "Rezdiffra", "MGL-3196", "VIA-3196", "Rezdiffra", "Resmetirom"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Thyroid hormone receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL1947"], "id": "UniProtKB:P10828", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284121", "category": ["biolink:ChemicalEntity"], "name": "ILX23-7553", "xref": ["InChIKey:JKFZMIQMKFWJAY-RQJQXFIZSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)C([C@H](C)CC#CC(C)(C)O)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "synonym": ["Ilx 237553", "Ilx23-7553", "BXL 353", "BXL-353", "ILEX-23-7553", "ILX-23-7553", "ILX-237553", "ILX7553", "Ro-23-7553"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542265", "category": ["biolink:ChemicalEntity"], "name": "LY2452473", "xref": ["InChIKey:IHIWYQYVBNODSV-KRWDZBQOSA-N", "SMILES:CC(C)OC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1"], "synonym": ["Ly2452473", "LY-2452473", "LY2452473", "OPK-88004", "TT-701"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4116008", "category": ["biolink:ChemicalEntity"], "name": "CERDULATINIB", "xref": ["InChIKey:BGLPECHZZQDNCD-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1"], "synonym": ["Cerdulatinib", "Cerdulatinib", "Prt-2070", "PRT-062070", "RVT-502"]}
{"name": "Tyrosine-protein kinase SYK", "xref": ["CHEMBL.TARGET:CHEMBL2599"], "id": "UniProtKB:P43405", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase JAK3", "xref": ["CHEMBL.TARGET:CHEMBL2148"], "id": "UniProtKB:P52333", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Non-receptor tyrosine-protein kinase TYK2", "xref": ["CHEMBL.TARGET:CHEMBL3553"], "id": "UniProtKB:P29597", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314406", "category": ["biolink:ChemicalEntity"], "name": "4SC-203", "xref": ["InChIKey:MAFACRSJGNJHCF-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1NC(=O)Nc1nc2ccc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)c(OC)cc34)cc2s1"], "synonym": ["4sc 203", "4sc-203"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4208229", "category": ["biolink:ChemicalEntity"], "name": "ASCIMINIB", "xref": ["InChIKey:VOVZXURTCKPRDQ-CQSZACIVSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1"], "synonym": ["Asciminib", "Asciminib", "Abl-001", "Asciminib", "ABL-001", "ABL001", "ABL001-NX", "NVP-ABL001", "Asciminib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1980297", "category": ["biolink:ChemicalEntity"], "name": "ILORASERTIB", "xref": ["InChIKey:WPHKIQPVPYJNAX-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12"], "synonym": ["Ilorasertib", "Abt-348", "Ilorasertib", "A-968660", "A-968660.0", "ABBOTT-968660", "ABT-348", "Abt-348, a-968660", "Ilorasertib"]}
{"id": "CHEMBL.TARGET:CHEMBL3430911", "category": ["biolink:ProteinFamily"], "name": "Serine/threonine-protein kinase Aurora"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545419", "category": ["biolink:ChemicalEntity"], "name": "TELISOTUZUMAB", "synonym": ["Telisotuzumab", "Abt-700", "Telisotuzumab", "ABT-700", "Telisotuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545241", "category": ["biolink:ChemicalEntity"], "name": "AC-430", "xref": ["InChIKey:DCRWIATZWHLIPN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3ccccc23)n[nH]1"], "synonym": ["Ac-430", "AC430"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1645462", "category": ["biolink:ChemicalEntity"], "name": "AC-480", "xref": ["InChIKey:LUJZZYWHBDHDQX-QFIPXVFZSA-N", "SMILES:Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12"], "synonym": ["Ac-480", "Bms 599626", "AC-480", "AC480", "BMS-599626"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551064", "category": ["biolink:ChemicalEntity"], "name": "AEW-541", "xref": ["InChIKey:USVCWSAJUAARAL-MEMLXQNLSA-N", "SMILES:Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](N2CCC2)C1"], "synonym": ["Aew-541", "AEW 541", "NVP-AEW 541", "NVP-AEW541"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545420", "category": ["biolink:ChemicalEntity"], "name": "AG-24322", "xref": ["InChIKey:RBOKLZGCVRXGEP-XTQSDGFTSA-N", "SMILES:CCNCc1cncc(-c2ccc3c(c2)/C(=C2/N=c4cc(F)cc(F)c4=N2)NN3)c1C"], "synonym": ["Ag 024322", "Ag-24322", "AG-024322"]}
{"name": "Cyclin-dependent kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL308"], "id": "UniProtKB:P06493", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-dependent kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL301"], "id": "UniProtKB:P24941", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-dependent kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL331"], "id": "UniProtKB:P11802", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496102", "category": ["biolink:ChemicalEntity"], "name": "AMG-208", "xref": ["InChIKey:HEAIZQNMNCHNFD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1"], "synonym": ["Amg 208", "Amg-208", "Amg208"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4303596", "category": ["biolink:ChemicalEntity"], "name": "AMG-319", "xref": ["InChIKey:KWRYMZHCQIOOEB-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cc2nc1-c1ccccn1"], "synonym": ["Amg-319", "AMG319", "J3.391.906I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585902", "category": ["biolink:ChemicalEntity"], "name": "AMG-548", "xref": ["InChIKey:RQVKVJIRFKVPBF-VWLOTQADSA-N", "SMILES:Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O"], "synonym": ["Amg-548"]}
{"name": "Mitogen-activated protein kinase 14", "xref": ["CHEMBL.TARGET:CHEMBL260"], "id": "UniProtKB:Q16539", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2140408", "category": ["biolink:ChemicalEntity"], "name": "AMG-900", "xref": ["InChIKey:IVUGFMLRJOCGAS-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1"], "synonym": ["Amg 900", "Amg-900", "AMG900"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650595", "category": ["biolink:ChemicalEntity"], "name": "AR-12", "xref": ["InChIKey:YULUCECVQOCQFQ-UHFFFAOYSA-N", "SMILES:NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1"], "synonym": ["Ar-12", "Pdk1 inhibitor ar-12", "OSU-03012"]}
{"name": "3-phosphoinositide-dependent protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL2534"], "id": "UniProtKB:O15530", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297187", "category": ["biolink:ChemicalEntity"], "name": "DERAZANTINIB", "xref": ["InChIKey:KPJDVVCDVBFRMU-AREMUKBSSA-N", "SMILES:COCCNCCc1cccc(Nc2ncc3c(n2)-c2ccccc2[C@H](c2ccccc2F)C3)c1"], "synonym": ["Derazantinib", "Arq-087", "Derazantinib", "ARQ 087", "ARQ087", "Derazantinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297188", "category": ["biolink:ChemicalEntity"], "name": "MIRANSERTIB", "xref": ["InChIKey:HNFMVVHMKGFCMB-UHFFFAOYSA-N", "SMILES:Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1"], "synonym": ["Miransertib", "Arq-092", "Miransertib", "ARQ 092", "ARQ 092 FREE BASE", "ARQ-092", "ARQ092", "ARQ092 FREE BASE", "Miransertib"]}
{"id": "CHEMBL.TARGET:CHEMBL2111353", "category": ["biolink:ProteinFamily"], "name": "Serine/threonine-protein kinase AKT"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314407", "category": ["biolink:ChemicalEntity"], "name": "ARQ-736", "xref": ["InChIKey:HXINDCTZKGGRDE-JPKZNVRTSA-L", "SMILES:Cn1ccc(S(=O)(=O)N2CCC[C@@H](Nc3nccc(-c4c(-c5cccc(OCOP(=O)([O-])[O-])c5)nc5occn45)n3)C2)n1.[Na+].[Na+]"], "synonym": ["Arq 736", "Arq-736", "ARQ-736"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545359", "category": ["biolink:ChemicalEntity"], "name": "ARRY-300", "synonym": ["Arry-300", "MET-300"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3644252", "category": ["biolink:ChemicalEntity"], "name": "ARRY-382", "xref": ["InChIKey:JUPOTOIJLKDAPF-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1"], "synonym": ["Arry-382"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3991932", "category": ["biolink:ChemicalEntity"], "name": "PEXMETINIB", "xref": ["InChIKey:LNMRSSIMGCDUTP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1"], "synonym": ["Pexmetinib", "Arry-614", "Pexmetinib", "ARRY-614"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129857", "category": ["biolink:ChemicalEntity"], "name": "AS-602868", "xref": ["InChIKey:GZGLPBNOIFLLRE-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c12"], "synonym": ["As-602868", "SPC-839"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1967878", "category": ["biolink:ChemicalEntity"], "name": "CENISERTIB", "xref": ["InChIKey:KSOVGRCOLZZTPF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1"], "synonym": ["Cenisertib", "As-703569", "As703569", "Aurora kinase inhibitor as703569", "Cenisertib", "AS 703569", "AS-703569", "AS703569", "R 763", "R-763"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545243", "category": ["biolink:ChemicalEntity"], "name": "AS-703988", "synonym": ["As-703988", "MSC-2015103B"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545360", "category": ["biolink:ChemicalEntity"], "name": "ASP-3026", "xref": ["InChIKey:MGGBYMDAPCCKCT-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1"], "synonym": ["Asp 3026", "Asp-3026", "ASP3026"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1947204", "category": ["biolink:ChemicalEntity"], "name": "ALLITINIB", "xref": ["InChIKey:MVZGYPSXNDCANY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1"], "synonym": ["Allitinib", "Als 1306", "Ast 1306", "Ast-1306", "Ast1306", "ALL-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574738", "category": ["biolink:ChemicalEntity"], "name": "AST-487", "xref": ["InChIKey:ODPGGGTTYSGTGO-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1"], "synonym": ["Ast-487", "NVP-AST-487", "NVP-AST487"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544960", "category": ["biolink:ChemicalEntity"], "name": "AT-13148", "xref": ["InChIKey:IIRWNGPLJQXWFJ-KRWDZBQOSA-N", "SMILES:NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1"], "synonym": ["At-13148", "AT13148"]}
{"id": "CHEMBL.TARGET:CHEMBL2111459", "category": ["biolink:ProteinFamily"], "name": "Rho-associated protein kinase"}
{"name": "MAP kinase-activated protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL2208"], "id": "UniProtKB:P49137", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545117", "category": ["biolink:ChemicalEntity"], "name": "AVE-9940", "synonym": ["Ave-9940"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314408", "category": ["biolink:ChemicalEntity"], "name": "AZD-0424", "xref": ["InChIKey:MVWATCATLSSVBH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCOc2cc(OC(C)C)c3c(Nc4c(Cl)cnc5c4OCO5)ncnc3c2)CC1"], "synonym": ["Azd-0424", "AZD0424"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1969664", "category": ["biolink:ChemicalEntity"], "name": "AZD-1080", "xref": ["InChIKey:BLTVBQXJFVRPFK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1"], "synonym": ["Azd-1080", "AZ-11548415", "AZD1080"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545423", "category": ["biolink:ChemicalEntity"], "name": "AZD-1208", "xref": ["InChIKey:MCUJKPPARUPFJM-LDADJPATSA-N", "SMILES:NC1CCCN(c2c(/C=C3/SC(=O)NC3=O)cccc2-c2ccccc2)C1"], "synonym": ["Azd 1208", "Azd-1208"]}
{"id": "CHEMBL.TARGET:CHEMBL3559682", "category": ["biolink:ProteinFamily"], "name": "Serine/threonine-protein kinase PIM"}
{"id": "CHEMBL.COMPOUND:CHEMBL422872", "category": ["biolink:ChemicalEntity"], "name": "AZD-4769", "xref": ["InChIKey:JOIXGLLMSDPZDN-UHFFFAOYSA-N", "SMILES:O=C(O)CSC(CCCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1"], "synonym": ["Azd 4769", "Azd-4769", "AZ-12096971", "AZD4769", "L-674573", "L674573"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488436", "category": ["biolink:ChemicalEntity"], "name": "AZD-5438", "xref": ["InChIKey:WJRRGYBTGDJBFX-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C"], "synonym": ["Azd 5438", "Azd-5438"]}
{"id": "CHEMBL.TARGET:CHEMBL3559691", "category": ["biolink:ProteinFamily"], "name": "Cyclin-dependent kinase"}
{"id": "CHEMBL.COMPOUND:CHEMBL2165191", "category": ["biolink:ChemicalEntity"], "name": "AZD-6482", "xref": ["InChIKey:IRTDIKMSKMREGO-OAHLLOKOSA-N", "SMILES:Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1"], "synonym": ["Azd 6482", "Azd-6482", "AZD6482"]}
{"id": "CHEMBL.TARGET:CHEMBL3559703", "category": ["biolink:MacromolecularComplex"], "name": "PI3-kinase class I"}
{"id": "CHEMBL.COMPOUND:CHEMBL2031465", "category": ["biolink:ChemicalEntity"], "name": "AZD-6703", "xref": ["InChIKey:ZMAZXHICVRYLQN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O"], "synonym": ["Azd 6703", "Azd-6703", "Azd6703", "AZ-12012199", "AZ12012199"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285417", "category": ["biolink:ChemicalEntity"], "name": "CERALASERTIB", "xref": ["InChIKey:OHUHVTCQTUDPIJ-JYCIKRDWSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(-c2cc[nH]c3nccc2-3)n1"], "synonym": ["Ceralasertib", "Atr kinase inhibitor azd6738", "Azd 6738", "Azd-6738", "Ceralasertib", "AZD6738", "Ceralasertib"]}
{"name": "Serine/threonine-protein kinase ATR", "xref": ["CHEMBL.TARGET:CHEMBL5024"], "id": "UniProtKB:Q13535", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545298", "category": ["biolink:ChemicalEntity"], "name": "AZD-6918", "synonym": ["Azd-6918"]}
{"id": "CHEMBL.TARGET:CHEMBL3559684", "category": ["biolink:ProteinFamily"], "name": "Neurotrophic tyrosine kinase receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL3659497", "category": ["biolink:ChemicalEntity"], "name": "AZD-7451", "xref": ["InChIKey:AYOOGWWGECJQPI-NSHDSACASA-N", "SMILES:CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1"], "synonym": ["Utatrectinib", "Azd-7451", "Utatrectinib"]}
{"name": "High affinity nerve growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL2815"], "id": "UniProtKB:P04629", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BDNF/NT-3 growth factors receptor", "xref": ["CHEMBL.TARGET:CHEMBL4898"], "id": "UniProtKB:Q16620", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NT-3 growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL5608"], "id": "UniProtKB:Q16288", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9960", "category": ["biolink:ChemicalEntity"], "name": "AZD-7624", "xref": ["InChIKey:MXNGYQJJYRVGGJ-QFIPXVFZSA-N", "SMILES:CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1"], "synonym": ["Azd 7624", "Azd-7624", "AZD-7624"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041933", "category": ["biolink:ChemicalEntity"], "name": "AZD-7762", "xref": ["InChIKey:IAYGCINLNONXHY-LBPRGKRZSA-N", "SMILES:NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1"], "synonym": ["Azd 7762", "Azd-7762", "AZD7762"]}
{"name": "Serine/threonine-protein kinase Chk1", "xref": ["CHEMBL.TARGET:CHEMBL4630"], "id": "UniProtKB:O14757", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801204", "category": ["biolink:ChemicalEntity"], "name": "AZD-8055", "xref": ["InChIKey:KVLFRAWTRWDEDF-IRXDYDNUSA-N", "SMILES:COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO"], "synonym": ["Azd-8055", "AZ-12600000", "AZD 8055", "AZD8055"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3408248", "category": ["biolink:ChemicalEntity"], "name": "AZD-8186", "xref": ["InChIKey:LMJFJIDLEAWOQJ-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12"], "synonym": ["Azd 8186", "Azd-8186", "AZD8186"]}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform", "xref": ["CHEMBL.TARGET:CHEMBL3145"], "id": "UniProtKB:P42338", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3182621", "category": ["biolink:ChemicalEntity"], "name": "AZD-8330", "xref": ["InChIKey:RWEVIPRMPFNTLO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O"], "synonym": ["Azd 8330", "Azd-8330", "Azd8330", "ARRY-424704", "ARRY-704"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3644672", "category": ["biolink:ChemicalEntity"], "name": "BAY-1082439", "xref": ["InChIKey:JGNRMIWLBBNSMU-QGZVFWFLSA-N", "SMILES:COc1c(OC[C@H](O)CN2CCOCC2)ccc2c1N=C(NC(=O)c1cccnc1C)N1CCN=C21"], "synonym": ["Bay 1082439", "Bay-1082439", "BAY1082439"]}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform", "xref": ["CHEMBL.TARGET:CHEMBL4005"], "id": "UniProtKB:P42336", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751394", "category": ["biolink:ChemicalEntity"], "name": "BAY-1125976", "xref": ["InChIKey:JBGYKRAZYDNCNV-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1"], "synonym": ["Bay 1125976", "Bay-1125976", "BAY-1125976", "BAY1125976"]}
{"name": "RAC-alpha serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL4282"], "id": "UniProtKB:P31749", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RAC-beta serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL2431"], "id": "UniProtKB:P31751", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303241", "category": ["biolink:ChemicalEntity"], "name": "BAY-1161909", "xref": ["InChIKey:NRJKIOCCERLIDG-GOSISDBHSA-N", "SMILES:COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1"], "synonym": ["Empesertib", "Bay-1161909", "Empesertib", "(-)-BAY-1161909", "BAY 1161909", "BAY1161909", "MPS1-IN-5"]}
{"name": "Dual specificity protein kinase TTK", "xref": ["CHEMBL.TARGET:CHEMBL3983"], "id": "UniProtKB:P33981", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963485", "category": ["biolink:ChemicalEntity"], "name": "ROGARATINIB", "xref": ["InChIKey:HNLRRJSKGXOYNO-UHFFFAOYSA-N", "SMILES:COCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1"], "synonym": ["Rogaratinib", "Bay-1163877", "Rogaratinib", "BAY-1163877"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209157", "category": ["biolink:ChemicalEntity"], "name": "LIFIRAFENIB", "xref": ["InChIKey:NGFFVZQXSRKHBM-FKBYEOEOSA-N", "SMILES:O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@H]3c3nc4cc(C(F)(F)F)ccc4[nH]3)ccnc2N1"], "synonym": ["Lifirafenib", "Beigene-283", "Bgb 283", "Bgb-283", "Lifirafenib", "BGB-283", "Lifirafenib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657311", "category": ["biolink:ChemicalEntity"], "name": "IFEBEMTINIB", "xref": ["InChIKey:ULMMVBPTWVRPSI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1"], "synonym": ["Ifebemtinib", "Ifebemtinib", "Ifebemtinib", "Bi 853520", "Bi-853520", "Ifebemtinib", "BI853520", "IN-10018", "IN10018"]}
{"name": "Focal adhesion kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL2695"], "id": "UniProtKB:Q05397", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258940", "category": ["biolink:ChemicalEntity"], "name": "FALNIDAMOL", "xref": ["InChIKey:FTFRZXFNZVCRSK-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1"], "synonym": ["Falnidamol", "Bibx 1382", "Bibx-1382", "Bibx1382", "Falnidamol", "BIBX 1382", "BIBX-1382"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103667", "category": ["biolink:ChemicalEntity"], "name": "DORAMAPIMOD", "xref": ["InChIKey:MVCOAUNKQVWQHZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1"], "synonym": ["Doramapimod", "Birb-796", "Doramapimod", "BIRB 796 BS", "BIRB-796", "BIRB-796 BS", "Doramapimod"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL296468", "category": ["biolink:ChemicalEntity"], "name": "BMS-387032", "xref": ["InChIKey:OUSFTKFNBAZUKL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1"], "synonym": ["Bms-387032", "Bms387032", "Sns 032", "SNS-032"], "chembl_natural_product": true}
{"name": "Cyclin-dependent kinase 7", "xref": ["CHEMBL.TARGET:CHEMBL3055"], "id": "UniProtKB:P50613", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-dependent kinase 9", "xref": ["CHEMBL.TARGET:CHEMBL3116"], "id": "UniProtKB:P50750", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545299", "category": ["biolink:ChemicalEntity"], "name": "BMS-698769", "synonym": ["Bms-698769"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545050", "category": ["biolink:ChemicalEntity"], "name": "BMS-817378", "synonym": ["Bms-817378"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545247", "category": ["biolink:ChemicalEntity"], "name": "CAL-263", "synonym": ["Cal-263"]}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform", "xref": ["CHEMBL.TARGET:CHEMBL3267"], "id": "UniProtKB:P48736", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586573", "category": ["biolink:ChemicalEntity"], "name": "CC-115", "xref": ["InChIKey:GMYLVKUGJMYTFB-UHFFFAOYSA-N", "SMILES:CCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21"], "synonym": ["Cc-115"], "chembl_natural_product": true}
{"name": "DNA-dependent protein kinase catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL3142"], "id": "UniProtKB:P78527", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301600", "category": ["biolink:ChemicalEntity"], "name": "SPEBRUTINIB BESYLATE", "xref": ["InChIKey:ABSXPNGWJFAPRT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.O=S(=O)(O)c1ccccc1"], "synonym": ["Spebrutinib besilate", "Spebrutinib besylate", "AVL-292", "AVL-292 BESYLATE", "CC-292", "CC-292 BESYLATE", "Spebrutinib", "Spebrutinib besylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910075", "category": ["biolink:ChemicalEntity"], "name": "CE-245677", "xref": ["InChIKey:VFCRSIORGUNNGT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1NC(=O)Nc1ccc(Cl)cc1Cl"], "synonym": ["Ce 245677", "Ce-245677"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2010872", "category": ["biolink:ChemicalEntity"], "name": "CEP-11981", "xref": ["InChIKey:AEULIVPVIDOLIN-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3"], "synonym": ["Cep 11981", "Cep-11981", "BOL-303213X", "CEP-11981", "CEP11981"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029988", "category": ["biolink:ChemicalEntity"], "name": "CEP-32496", "xref": ["InChIKey:DKNUPRMJNUQNHR-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC"], "synonym": ["Agerafenib", "Agerafenib", "Cep-32496", "Rxdx 105", "AB-024", "AC-013773", "CEP-32496", "RXDX-105"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951811", "category": ["biolink:ChemicalEntity"], "name": "CEP-37440", "xref": ["InChIKey:BCSHRERPHLTPEE-NRFANRHFSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl"], "synonym": ["Alk-fak inhibitor cep-37440", "Cep-37440"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL150894", "category": ["biolink:ChemicalEntity"], "name": "CEP-5214", "xref": ["InChIKey:MLIFNJABMANKEU-UHFFFAOYSA-N", "SMILES:CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3"], "synonym": ["Cep-5214", "CEP5214"]}
{"id": "CHEMBL.COMPOUND:CHEMBL346631", "category": ["biolink:ChemicalEntity"], "name": "CEP-7055", "xref": ["InChIKey:UHEBDUAFKQHUBV-UHFFFAOYSA-N", "SMILES:CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCOC(=O)CN(C)C)Cc1ccccc1-4)C(=O)NC3"], "synonym": ["Cep-7055"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545427", "category": ["biolink:ChemicalEntity"], "name": "CM-082", "synonym": ["Cm-082"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545300", "category": ["biolink:ChemicalEntity"], "name": "CP-459632", "synonym": ["Cp-459632"]}
{"name": "Tyrosine-protein kinase receptor Tie-1", "xref": ["CHEMBL.TARGET:CHEMBL5274"], "id": "UniProtKB:P35590", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483321", "category": ["biolink:ChemicalEntity"], "name": "CP-724714", "xref": ["InChIKey:LLVZBTWPGQVVLW-SNAWJCMRSA-N", "SMILES:COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1"], "synonym": ["Cp-724714", "CP-724,714", "CP-724714"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5095033", "category": ["biolink:ChemicalEntity"], "name": "IBCASERTIB", "xref": ["InChIKey:BRKWREZNORONDU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Oc3ccc4c(C(=O)Nc5ccccc5N)cccc4c3)ccnc2c1"], "synonym": ["Ibcasertib", "Ibcasertib", "Ibcasertib", "Chiauranib", "Cs-2164", "Ibcasertib", "CS-2164", "CS2164"]}
{"name": "Aurora kinase B", "xref": ["CHEMBL.TARGET:CHEMBL2185"], "id": "UniProtKB:Q96GD4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035185", "category": ["biolink:ChemicalEntity"], "name": "CT-1578", "xref": ["InChIKey:NNXDIGHYPZHXTR-ONEGZZNKSA-N", "SMILES:C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2ccc(o2)COC/1"], "synonym": ["Ct-1578", "Sb1578", "CT-1578", "ONX 0805", "ONX-0805", "SB-1578", "SB1578"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598797", "category": ["biolink:ChemicalEntity"], "name": "CUDC-101", "xref": ["InChIKey:PLIVFNIUGLLCEK-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1"], "synonym": ["Cudc 101", "Cudc-101"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3622533", "category": ["biolink:ChemicalEntity"], "name": "FIMEPINOSTAT", "xref": ["InChIKey:JOWXJLIFIIOYMS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1"], "synonym": ["Fimepinostat", "Cudc 907", "Cudc-907", "Fimepinostat", "CUDC-907", "CUDC907", "Fimepinostat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL482967", "category": ["biolink:ChemicalEntity"], "name": "CYC-116", "xref": ["InChIKey:GPSZYOIFQZPWEJ-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1"], "synonym": ["Cyc 116", "Cyc-116", "CYC-116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545365", "category": ["biolink:ChemicalEntity"], "name": "ALTIRATINIB", "xref": ["InChIKey:GNNDEPIMDAZHRQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1"], "synonym": ["Altiratinib", "Altiratinib", "DCC-2701", "DP-5164", "Altiratinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544963", "category": ["biolink:ChemicalEntity"], "name": "DS-3078A", "synonym": ["Ds-3078a"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545248", "category": ["biolink:ChemicalEntity"], "name": "DS-7423", "synonym": ["Ds-7423"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960488", "category": ["biolink:ChemicalEntity"], "name": "EMD-1204831", "xref": ["InChIKey:CIUKPBWULKEZMF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)n2)cn1"], "synonym": ["Emd-1204831"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544964", "category": ["biolink:ChemicalEntity"], "name": "RAVOXERTINIB", "xref": ["InChIKey:RZUOCXOYPYGSKL-GOSISDBHSA-N", "SMILES:Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1"], "synonym": ["Ravoxertinib", "Gdc-0994", "Ravoxertinib", "GDC-0994", "GDC0994", "RG-7842", "Ravoxertinib"]}
{"name": "Mitogen-activated protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL3385"], "id": "UniProtKB:P27361", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4040"], "id": "UniProtKB:P28482", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545249", "category": ["biolink:ChemicalEntity"], "name": "GLPG-0555", "synonym": ["Glpg-0555"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916717", "category": ["biolink:ChemicalEntity"], "name": "SELONSERTIB", "xref": ["InChIKey:YIDDLAAKOYYGJG-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1"], "synonym": ["Selonsertib", "Gs-4997", "Selonsertib", "GS-4997", "Selonsertib"]}
{"name": "Mitogen-activated protein kinase kinase kinase 5", "xref": ["CHEMBL.TARGET:CHEMBL5285"], "id": "UniProtKB:Q99683", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544966", "category": ["biolink:ChemicalEntity"], "name": "GSK-1059615", "xref": ["InChIKey:QDITZBLZQQZVEE-YBEGLDIGSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1"], "synonym": ["Gsk-1059615", "GSK-615", "GSK1059615", "GSK615"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1090479", "category": ["biolink:ChemicalEntity"], "name": "GSK-1070916", "xref": ["InChIKey:QTBWCSQGBMPECM-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1"], "synonym": ["Gsk-1070916", "Gsk-1070916a", "GSK 1070916A", "GSK1070916", "GSK1070916A"]}
{"name": "Aurora kinase C", "xref": ["CHEMBL.TARGET:CHEMBL3935"], "id": "UniProtKB:Q9UQB9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236962", "category": ["biolink:ChemicalEntity"], "name": "OMIPALISIB", "xref": ["InChIKey:CGBJSGAELGCMKE-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"], "synonym": ["Omipalisib", "Gsk-2126458", "Omipalisib", "GSK-2126458", "GSK2126458", "Omipalisib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742157", "category": ["biolink:ChemicalEntity"], "name": "GSK-2256098", "xref": ["InChIKey:BVAHPPKGOOJSPU-UHFFFAOYSA-N", "SMILES:CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl"], "synonym": ["Gsk-2256098", "Gsk2256098"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3188551", "category": ["biolink:ChemicalEntity"], "name": "GSK-2636771", "xref": ["InChIKey:XTKLTGBKIDQGQL-UHFFFAOYSA-N", "SMILES:Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F"], "synonym": ["Gsk 2636771", "Gsk-2636771", "GSK2636771"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908394", "category": ["biolink:ChemicalEntity"], "name": "GSK-461364", "xref": ["InChIKey:ZHJGWYRLJUCMRT-QGZVFWFLSA-N", "SMILES:C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F"], "synonym": ["Gsk 461364", "Gsk-461364", "GSK-461364A", "GSK461364"]}
{"name": "Serine/threonine-protein kinase PLK1", "xref": ["CHEMBL.TARGET:CHEMBL3024"], "id": "UniProtKB:P53350", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544968", "category": ["biolink:ChemicalEntity"], "name": "GSK-610677", "synonym": ["Gsk-610677"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494089", "category": ["biolink:ChemicalEntity"], "name": "GSK-690693", "xref": ["InChIKey:KGPGFQWBCSZGEL-ZDUSSCGKSA-N", "SMILES:CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21"], "synonym": ["Gsk-690693", "GSK 690693", "GSK690693"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL2094138", "category": ["biolink:ProteinFamily"], "name": "cAMP-dependent protein kinase (PKA)"}
{"id": "CHEMBL.TARGET:CHEMBL2093867", "category": ["biolink:ProteinFamily"], "name": "Protein kinase C (PKC)"}
{"id": "CHEMBL.COMPOUND:CHEMBL3786343", "category": ["biolink:ChemicalEntity"], "name": "OLMUTINIB", "xref": ["InChIKey:FDMQDKQUTRLUBU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1"], "synonym": ["Olmutinib", "Olmutinib", "Hm-61713", "Olmutinib", "BI 1482694", "BI-1482694", "HM-61713", "HM61713", "Olmutinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4163691", "category": ["biolink:ChemicalEntity"], "name": "POSELTINIB", "xref": ["InChIKey:LZMJNVRJMFMYQS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccoc23)c1"], "synonym": ["Poseltinib", "Hm-71224", "Ly3337641", "Poseltinib", "HM71224", "LY3337641"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3991927", "category": ["biolink:ChemicalEntity"], "name": "HMN-214", "xref": ["InChIKey:OCKHRKSTDPOHEN-BQYQJAHWSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C(C)=O)c2ccccc2/C=C/c2cc[n+]([O-])cc2)cc1"], "synonym": ["Hmn-214", "IVX-214"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297190", "category": ["biolink:ChemicalEntity"], "name": "SURUFATINIB", "xref": ["InChIKey:TTZSNFLLYPYKIL-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(Oc3ccnc(Nc4cccc(CS(=O)(=O)NCCN(C)C)c4)n3)ccc2[nH]1"], "synonym": ["Surufatinib", "Surufatinib", "Hmpl-012", "Sulfatinib", "Surufatinib", "HMPL-012", "Surufatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314410", "category": ["biolink:ChemicalEntity"], "name": "THELIATINIB", "xref": ["InChIKey:FSXCKIBROURMFT-VGSWGCGISA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)N4C[C@H]5CCN(C)[C@H]5C4)cc23)c1"], "synonym": ["Xiliertinib", "Hmpl-309", "Theliatinib", "Xiliertinib", "HMPL-309"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095034", "category": ["biolink:ChemicalEntity"], "name": "SOVLEPLENIB", "xref": ["InChIKey:BRCHZKBUGSKTND-FQEVSTJZSA-N", "SMILES:CS(=O)(=O)N1CCC(c2ccc(-c3ncc4nccnc4c3NC[C@@H]3CNCCO3)cc2)CC1"], "synonym": ["Sovleplenib", "Sovleplenib", "Sovleplenib", "Hmpl 523", "Hmpl-523", "Sovleplenib", "HMPL 523", "HMPL-523", "HMPL523", "Sovleplenib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314411", "category": ["biolink:ChemicalEntity"], "name": "EPITINIB", "xref": ["InChIKey:DQAZPZIYEOGZAF-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)N4CCN(CC)CC4)cc23)c1"], "synonym": ["Epitinib", "Hmpl-813", "HMPL-813"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109738", "category": ["biolink:ChemicalEntity"], "name": "JNJ-26483327", "xref": ["InChIKey:JXDYOSVKVSQGJM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCCCCN(C)Cc1ccc(Br)cc1N3"], "synonym": ["Jnj-26483327", "JNJ 26483327", "JNJ-26483327"]}
{"name": "Tyrosine-protein kinase Fyn", "xref": ["CHEMBL.TARGET:CHEMBL1841"], "id": "UniProtKB:P06241", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vascular endothelial growth factor receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL1955"], "id": "UniProtKB:P35916", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase Yes", "xref": ["CHEMBL.TARGET:CHEMBL2073"], "id": "UniProtKB:P07947", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2133806", "category": ["biolink:ChemicalEntity"], "name": "JNJ-38877605", "xref": ["InChIKey:JRWCBEOAFGHNNU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1"], "synonym": ["Jnj-38877605", "JNJ-38877605-AAA"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3674570", "category": ["biolink:ChemicalEntity"], "name": "EDICOTINIB", "xref": ["InChIKey:BNVPFDRNGHMRJS-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1"], "synonym": ["Edicotinib", "Edicotinib", "Jnj-40346527", "JNJ-40346527", "Edicotinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL406381", "category": ["biolink:ChemicalEntity"], "name": "KRN-633", "xref": ["InChIKey:VPBYZLCHOKSGRX-UHFFFAOYSA-N", "SMILES:CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl"], "synonym": ["Krn-633", "K00589A", "KRN633"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908397", "category": ["biolink:ChemicalEntity"], "name": "KW-2449", "xref": ["InChIKey:YYLKKYCXAOBSRM-JXMROGBWSA-N", "SMILES:O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1"], "synonym": ["Kw 2449", "Kw-2449"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333021", "category": ["biolink:ChemicalEntity"], "name": "L-21649", "xref": ["InChIKey:VOYMOBPSYVKQGF-UHFFFAOYSA-N", "SMILES:c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1"], "synonym": ["L-21649"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545074", "category": ["biolink:ChemicalEntity"], "name": "LEO-15520", "synonym": ["Leo-15520"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3651966", "category": ["biolink:ChemicalEntity"], "name": "LGH-447", "xref": ["InChIKey:VRQXRVAKPDCRCI-ZNMIVQPWSA-N", "SMILES:C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1"], "synonym": ["Lgh-447", "Pim kinase inhibitor lgh447", "LGH-447", "LGH447", "NVP-LGH477", "PIM 447", "PIM-447", "PIM447"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545263", "category": ["biolink:ChemicalEntity"], "name": "LGX-806", "synonym": ["Lgx-806", "NVP-LGX806"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3889654", "category": ["biolink:ChemicalEntity"], "name": "LAROTRECTINIB", "xref": ["InChIKey:NYNZQNWKBKUAII-KBXCAEBGSA-N", "SMILES:O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1"], "synonym": ["Larotrectinib", "Larotrectinib", "Larotrectinib", "Loxo-101", "ARRY-470", "BAY-2757556", "BAY2757556", "LOXO-101", "Larotrectinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5095023", "category": ["biolink:ChemicalEntity"], "name": "LS-104", "xref": ["InChIKey:DTCCYSMPUUYHOF-LHQXNBGVSA-N", "SMILES:N#C/C(=C\\C=C\\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1"], "synonym": ["Ls-104", "Tyrene cr-4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545076", "category": ["biolink:ChemicalEntity"], "name": "LY-2584702", "xref": ["InChIKey:FYXRSVDHGLUMHB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1"], "synonym": ["Ly-2584702", "LY 2584702", "LY2584702"]}
{"name": "Ribosomal protein S6 kinase beta-1", "xref": ["CHEMBL.TARGET:CHEMBL4501"], "id": "UniProtKB:P23443", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545134", "category": ["biolink:ChemicalEntity"], "name": "LY-2780301", "synonym": ["Ly-2780301"]}
{"id": "CHEMBL.TARGET:CHEMBL2111330", "category": ["biolink:MacromolecularComplex"], "name": "Ribosomal protein S6 kinase (P70S6K)"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545307", "category": ["biolink:ChemicalEntity"], "name": "MERESTINIB", "xref": ["InChIKey:QHADVLVFMKEIIP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1"], "synonym": ["Merestinib", "Ly-2801653", "Merestinib", "LY-2801653", "LY2801653", "Merestinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828009", "category": ["biolink:ChemicalEntity"], "name": "LY-2874455", "xref": ["InChIKey:GKJCVYLDJWTWQU-CXLRFSCWSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl"], "synonym": ["Ly-2874455", "LY2874455"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544998", "category": ["biolink:ChemicalEntity"], "name": "LY-3007113", "synonym": ["Ly-3007113"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577124", "category": ["biolink:ChemicalEntity"], "name": "LY-3009120", "xref": ["InChIKey:HHCBMISMPSAZBF-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1"], "synonym": ["Ly-3009120", "Pan-raf inhibitor ly3009120", "DP-4978", "LY3009120"]}
{"name": "Serine/threonine-protein kinase A-Raf", "xref": ["CHEMBL.TARGET:CHEMBL1169596"], "id": "UniProtKB:P10398", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314386", "category": ["biolink:ChemicalEntity"], "name": "ME-344", "xref": ["InChIKey:QVCAATSEPLQVBX-FPOVZHCZSA-N", "SMILES:Cc1c(O)ccc2c1OC[C@@H](c1ccc(O)cc1)[C@H]2c1ccc(O)cc1"], "synonym": ["Me 344", "Me-344"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5314387", "category": ["biolink:ChemicalEntity"], "name": "MK-1496", "xref": ["InChIKey:KUHBBYPXWKYKKR-GXFFZTMASA-N", "SMILES:C[C@H](N)c1ccc([C@H](O)CNC(C)(C)C)cc1"], "synonym": ["Mk-1496"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545000", "category": ["biolink:ChemicalEntity"], "name": "MK-2201", "synonym": ["Mk-2201"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600873", "category": ["biolink:ChemicalEntity"], "name": "MK-5108", "xref": ["InChIKey:LCVIRAZGMYMNNT-VVONHTQRSA-N", "SMILES:O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1"], "synonym": ["Mk-5108", "MK 5108", "MK5108", "VX-689"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545378", "category": ["biolink:ChemicalEntity"], "name": "MK-6592", "xref": ["InChIKey:SLUHYAXFRJQTGB-KRWDZBQOSA-N", "SMILES:Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(O[C@H]3CCN(C(=O)c4cc(Cl)ccc4F)C3)n2)n[nH]1"], "synonym": ["Mk-6592", "VX-667"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323775", "category": ["biolink:ChemicalEntity"], "name": "MK-8033", "xref": ["InChIKey:VMJFTOSOFDEKTM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1"], "synonym": ["Mk-8033", "MK8033"]}
{"name": "Macrophage-stimulating protein receptor", "xref": ["CHEMBL.TARGET:CHEMBL2689"], "id": "UniProtKB:Q04912", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213970", "category": ["biolink:ChemicalEntity"], "name": "MK-8353", "xref": ["InChIKey:KPQQGHGDBBJGFA-QNGWXLTQSA-N", "SMILES:CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cc3)CC2)C1"], "synonym": ["Mk-8353", "SCH-900353"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104954", "category": ["biolink:ChemicalEntity"], "name": "BALAMAPIMOD", "xref": ["InChIKey:CVAKNHIXTWLGJO-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1N1CCC(N2CCCC2)CC1"], "synonym": ["Balamapimod", "MKI-833", "Balamapimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314383", "category": ["biolink:ChemicalEntity"], "name": "MLN-0415", "xref": ["InChIKey:BQBAVNBXWBYXIF-DMPWYTOCSA-N", "SMILES:C[C@@H]1CN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)C[C@H](C)O1"], "synonym": ["Mln-0415"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935857", "category": ["biolink:ChemicalEntity"], "name": "SERABELISIB", "xref": ["InChIKey:BLGWHBSBBJNKJO-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)ccc2o1"], "synonym": ["Serabelisib", "Ink-1117", "Mln-1117", "Serabelisib", "Tak-117", "AGN-PC-0DB6FL", "INK1117", "MLN-1117", "MLN1117", "TAK-117"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3348923", "category": ["biolink:ChemicalEntity"], "name": "TOVORAFENIB", "xref": ["InChIKey:VWMJHAFYPMOMGF-ZCFIWIBFSA-N", "SMILES:C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1"], "synonym": ["Tovorafenib", "Tovorafenib", "Biib-024", "Mln-2480", "Mln2480", "Ojemda", "Tak 580", "Tak-580", "Tovorafenib", "BIIB-024", "BIIB024", "DAY-101", "DAY101", "MLN-2480", "TAK-580", "Ojemda", "Tovorafenib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3559685", "category": ["biolink:ProteinFamily"], "name": "RAF serine/threonine protein kinase"}
{"id": "CHEMBL.COMPOUND:CHEMBL259084", "category": ["biolink:ChemicalEntity"], "name": "MLN-8054", "xref": ["InChIKey:HHFBDROWDBDFBR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1"], "synonym": ["Mln-8054", "Mln8054", "MLN 8054", "MLN-8054"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067986", "category": ["biolink:ChemicalEntity"], "name": "AV-412", "xref": ["InChIKey:GTWJVFFZCKODEV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC(C)(C)N1CCN(C)CC1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1"], "synonym": ["Av-412", "Mp 412", "Mp-412", "MP-412 DITOSYLATE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871106", "category": ["biolink:ChemicalEntity"], "name": "RUPITASERTIB", "xref": ["InChIKey:HXAUJHZZPCBFPN-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12"], "synonym": ["Rupitasertib", "Rupitasertib", "Rupitasertib", "Msc-2363318a", "Rupitasertib", "M-2698", "M2698", "MSC-2363318A", "MSC2363318A"]}
{"name": "RAC-gamma serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL4816"], "id": "UniProtKB:Q9Y243", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545321", "category": ["biolink:ChemicalEntity"], "name": "NMS-1116354", "synonym": ["Nms-1116354"]}
{"name": "Cell division cycle 7-related protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL5443"], "id": "UniProtKB:O00311", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738758", "category": ["biolink:ChemicalEntity"], "name": "ONVANSERTIB", "xref": ["InChIKey:QHLVBNKYJGBCQJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1"], "synonym": ["Onvansertib", "Nms-1286937", "Onvansertib", "NMS-1286937", "NMS-P937", "PCM-075", "Onvansertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545135", "category": ["biolink:ChemicalEntity"], "name": "NV-128", "synonym": ["Nv-128"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2219421", "category": ["biolink:ChemicalEntity"], "name": "RECILISIB", "xref": ["InChIKey:KBEKQQJUNVQLDZ-MDZDMXLPSA-N", "SMILES:O=C(O)c1ccc(/C=C/S(=O)(=O)Cc2ccc(Cl)cc2)cc1"], "synonym": ["Recilisib", "On-01210", "ON 01210", "ON 01210.Na", "ON01210", "Ex-rad", "Recilisib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071161", "category": ["biolink:ChemicalEntity"], "name": "TIRABRUTINIB", "xref": ["InChIKey:SEJLPXCPMNSRAM-GOSISDBHSA-N", "SMILES:CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"], "synonym": ["Tirabrutinib", "Tirabrutinib", "Gs-4059", "Ono-4059", "Tirabrutinib", "GS-4059", "ONO-4059", "ONO-4059(FREE BASE)", "Velexbru", "Tirabrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989868", "category": ["biolink:ChemicalEntity"], "name": "TUCATINIB", "xref": ["InChIKey:SDEAXTCZPQIFQM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1"], "synonym": ["Tucatinib", "Tucatinib", "Tucatinib", "Tucatinib", "Irbinitinib", "Ont-380", "Tucatinib", "ARRY-380", "MK-7119", "ONT-380", "Tukysa", "Tucatinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1614710", "category": ["biolink:ChemicalEntity"], "name": "OSI-930", "xref": ["InChIKey:FGTCROZDHDSNIO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12"], "synonym": ["Osi 930", "Osi-930"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095025", "category": ["biolink:ChemicalEntity"], "name": "PANULISIB", "xref": ["InChIKey:VJLRLTSXTLICIR-AUGOTPMTSA-N", "SMILES:Cn1/c(=N\\C#N)n(-c2ccc(C(C)(C)C#N)nc2)c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3ncc21"], "synonym": ["Panulisib", "P7170", "Panulisib", "P-7170"]}
{"name": "Activin receptor type-1-like", "xref": ["CHEMBL.TARGET:CHEMBL5311"], "id": "UniProtKB:P37023", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684984", "category": ["biolink:ChemicalEntity"], "name": "IZORLISIB", "xref": ["InChIKey:JEGHXKRHKHPBJD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21"], "synonym": ["Izorlisib", "Izorlisib", "Izorlisib", "Ch 5132799", "Izorlisib", "Pa-799", "CH-5132799", "CH5132799", "CH5132799-000", "PA-799", "PA799"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2141712", "category": ["biolink:ChemicalEntity"], "name": "PALOMID-529", "xref": ["InChIKey:YEAHTLOYHVWAKW-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2cc3oc(=O)c4cc(C(C)O)ccc4c3cc2OC)cc1"], "synonym": ["Palomid 529", "Palomid-529", "P-529", "P529", "PALOMID-529", "SG 00529", "SG-00529"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545196", "category": ["biolink:ChemicalEntity"], "name": "PD-0166285 HYDROCHLORIDE", "xref": ["InChIKey:NADLBPWBFGTESN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.Cl.Cl"], "synonym": ["Pd-0166285 dihydrochloride", "Pd-0166285 hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738697", "category": ["biolink:ChemicalEntity"], "name": "PF-00337210", "xref": ["InChIKey:LGXVKMDGSIWEHL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CCOCC5)ccc34)ccc12"], "synonym": ["Pf-00337210", "Pf-337210"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545137", "category": ["biolink:ChemicalEntity"], "name": "PF-00477736", "xref": ["InChIKey:YFNWWNRZJGMDBR-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=Nc3cc(NC(=O)C(N)C4CCCCC4)cc4c3C2=CNNC4=O)cn1"], "synonym": ["Pf 477736", "Pf-00477736", "PF-00477736", "PF-477736", "PF477736"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084546", "category": ["biolink:ChemicalEntity"], "name": "PF-00562271", "xref": ["InChIKey:MZDKLVOWGIOKTN-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O"], "synonym": ["Pf-00562271", "Pf-562271 besilate", "PF 00562271-26", "PF 562271"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938400", "category": ["biolink:ChemicalEntity"], "name": "PF-03715455", "xref": ["InChIKey:VGEXRDWWPSGZDH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc(O)c(Cl)c2)n1"], "synonym": ["Pf-03715455", "Pf-3715455"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3128043", "category": ["biolink:ChemicalEntity"], "name": "PF-03758309", "xref": ["InChIKey:AYCPARAPKDAOEN-LJQANCHMSA-N", "SMILES:Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1"], "synonym": ["Pf-03758309", "PF-3758309"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein kinase PAK 4", "xref": ["CHEMBL.TARGET:CHEMBL4482"], "id": "UniProtKB:O96013", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289017", "category": ["biolink:ChemicalEntity"], "name": "PF-03814735", "xref": ["InChIKey:RYYNGWLOYLRZLK-RBUKOAKNSA-N", "SMILES:CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1c1ccc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)cc12"], "synonym": ["Pf-03814735", "PF 03814735", "PF 3814735", "PF-3814735"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2001019", "category": ["biolink:ChemicalEntity"], "name": "PF-04217903", "xref": ["InChIKey:PDMUGYOXRHVNMO-UHFFFAOYSA-N", "SMILES:OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1"], "synonym": ["Pf-04217903", "MET TYROSINE KINASE INHIBITOR PF-04217903", "PF-4217903"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3655081", "category": ["biolink:ChemicalEntity"], "name": "ABROCITINIB", "xref": ["InChIKey:IUEWXNHSKRWHDY-PHIMTYICSA-N", "SMILES:CCCS(=O)(=O)N[C@H]1C[C@@H](N(C)c2ncnc3[nH]ccc23)C1"], "synonym": ["Abrocitinib", "Abrocitinib", "Abrocitinib", "Abrocitinib", "Abrocitinib", "Cibinqo", "Pf-04965842", "PF-04965842", "Cibinqo", "Abrocitinib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1230607", "category": ["biolink:ChemicalEntity"], "name": "PHA-793887", "xref": ["InChIKey:HUXYBQXJVXOMKX-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C"], "synonym": ["Pha-793887"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1963502", "category": ["biolink:ChemicalEntity"], "name": "PKI-166", "xref": ["InChIKey:XRYJULCDUUATMC-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1"], "synonym": ["Pki 166", "Pki-166", "CGP-75166", "NVP-PKI166"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258517", "category": ["biolink:ChemicalEntity"], "name": "PKI-179", "xref": ["InChIKey:WXUUCRLKXQMWRY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1"], "synonym": ["Pki-179"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545004", "category": ["biolink:ChemicalEntity"], "name": "PL-225B", "synonym": ["Pl-225b"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3639728", "category": ["biolink:ChemicalEntity"], "name": "PLX-5622", "xref": ["InChIKey:NSMOZFXKTHCPTQ-UHFFFAOYSA-N", "SMILES:COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1"], "synonym": ["Plx-5622", "PLX-5622", "PLX5622"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545381", "category": ["biolink:ChemicalEntity"], "name": "PLX-7486", "synonym": ["Plx-7486"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303729", "category": ["biolink:ChemicalEntity"], "name": "PLIXORAFENIB", "xref": ["InChIKey:YYACLQUDUDXAPA-MRXNPFEDSA-N", "SMILES:O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12"], "synonym": ["Plixorafenib", "Plixorafenib", "Plixorafenib", "Plixorafenib", "Plx 8394", "Plx-8394", "FORE-8394", "FORE8394", "PLX8394"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545138", "category": ["biolink:ChemicalEntity"], "name": "PRT-2607", "synonym": ["Prt-2607", "BIIB-057", "P505-15", "PRT-062607"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545139", "category": ["biolink:ChemicalEntity"], "name": "PS-516895", "synonym": ["Ps-516895"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545323", "category": ["biolink:ChemicalEntity"], "name": "PWT-33579", "synonym": ["Pwt-33579"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545006", "category": ["biolink:ChemicalEntity"], "name": "PWT-33587", "synonym": ["Pwt-33587"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1766582", "category": ["biolink:ChemicalEntity"], "name": "R-1487 HYDROCHLORIDE", "xref": ["InChIKey:RQHSAIGGUWVOBG-UHFFFAOYSA-N", "SMILES:Cl.Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21"], "synonym": ["R-1487 hydrochloride", "R 1487 HYDROCHLORIDE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314384", "category": ["biolink:ChemicalEntity"], "name": "R-348", "xref": ["InChIKey:IGLNXKVGKIFNBQ-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(Nc2nc(Nc3ccc(C)c(S(=O)(=O)NC(=O)CC)c3)ncc2F)cc1"], "synonym": ["R-348"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384304", "category": ["biolink:ChemicalEntity"], "name": "RG-547", "xref": ["InChIKey:JRNJNYBQQYBCLE-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N"], "synonym": ["R-547", "Rg-547", "Ro 4584820", "Ro-4584820", "R 547", "RG-547", "RO4584820"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106468", "category": ["biolink:ChemicalEntity"], "name": "TRICETAMIDE", "xref": ["InChIKey:NLRFFZRHTICQBO-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1"], "synonym": ["Tricetamide", "R-548", "R-548 (TRICETAMIDE)", "Tricetamide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545080", "category": ["biolink:ChemicalEntity"], "name": "RG-7256", "synonym": ["Rg-7256", "PLX-3603", "Ro-5212054"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264002", "category": ["biolink:ChemicalEntity"], "name": "AVUTOMETINIB", "xref": ["InChIKey:LMMJFBMMJUMSJS-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F"], "synonym": ["Avutometinib", "Avutometinib", "Avutometinib", "Avutometinib", "Rg-7304", "Ro 5126766", "CH-5126766", "CH5126766", "CKI-27", "R-7304", "Ro-5126766", "VS-6766", "Avutometinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545082", "category": ["biolink:ChemicalEntity"], "name": "RG-7376", "synonym": ["Rg-7376", "PLX-5568"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314388", "category": ["biolink:ChemicalEntity"], "name": "RG-7602", "xref": ["InChIKey:XEZLBMHDUXSICI-UHFFFAOYSA-N", "SMILES:CCN1CCC(Oc2c(C#N)ncc3[nH]c4ncccc4c23)CC1"], "synonym": ["Rg-7602", "GDC-0425", "RG-7602"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331680", "category": ["biolink:ChemicalEntity"], "name": "RG-7603", "xref": ["InChIKey:RGJOJUGRHPQXGF-INIZCTEOSA-N", "SMILES:CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C2COC2)C3)cc1"], "synonym": ["Rg-7603", "GDC-0349"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3813842", "category": ["biolink:ChemicalEntity"], "name": "PAXALISIB", "xref": ["InChIKey:LGWACEZVCMBSKW-UHFFFAOYSA-N", "SMILES:CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12"], "synonym": ["Paxalisib", "Paxalisib", "Rg-7666", "Sim-0395", "G-02441729", "G02441729", "GDC-0084", "GDC0084", "RG 7666", "Paxalisib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545199", "category": ["biolink:ChemicalEntity"], "name": "RG-7741", "synonym": ["Rg-7741", "GDC-0575"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545083", "category": ["biolink:ChemicalEntity"], "name": "RGB-286638", "xref": ["InChIKey:XLSYZSRXVVCHLS-UHFFFAOYSA-N", "SMILES:COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1"], "synonym": ["Rgb-286638", "RGB 286638"]}
{"name": "Cyclin-dependent kinase 5", "xref": ["CHEMBL.TARGET:CHEMBL4036"], "id": "UniProtKB:Q00535", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203567", "category": ["biolink:ChemicalEntity"], "name": "RO-3201195", "xref": ["InChIKey:IJDQETGUEUJVTB-HNNXBMFYSA-N", "SMILES:Nc1c(C(=O)c2cccc(OC[C@@H](O)CO)c2)cnn1-c1ccc(F)cc1"], "synonym": ["Ro-3201195", "Syd-003", "SYD003"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614766", "category": ["biolink:ChemicalEntity"], "name": "RO-4987655", "xref": ["InChIKey:FIMYFEGKMOCQKT-UHFFFAOYSA-N", "SMILES:O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F"], "synonym": ["Ro 4987655", "Ro-4987655", "CH-4987655", "RO4987655"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297584", "category": ["biolink:ChemicalEntity"], "name": "TENALISIB", "xref": ["InChIKey:HDXDQPRPFRKGKZ-INIZCTEOSA-N", "SMILES:CC[C@H](Nc1ncnc2[nH]cnc12)c1oc2ccccc2c(=O)c1-c1cccc(F)c1"], "synonym": ["Tenalisib", "Rp-6530", "Tenalisib", "RP6530"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190333", "category": ["biolink:ChemicalEntity"], "name": "RWJ-67657", "xref": ["InChIKey:QSUSKMBNZQHHPA-UHFFFAOYSA-N", "SMILES:OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1"], "synonym": ["Rwj-67657", "JNJ-3026582", "JNJ3026582", "RWJ67657"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545200", "category": ["biolink:ChemicalEntity"], "name": "S-222611", "synonym": ["Epertinib", "Epertinib", "S-222611"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461070", "category": ["biolink:ChemicalEntity"], "name": "SAR-125844", "xref": ["InChIKey:ODIUNTQOXRXOIV-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(-c5ccc(F)cc5)nn34)cc2s1"], "synonym": ["Sar-125844", "SAR 125844", "SAR-125844", "SAR125844"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3112866", "category": ["biolink:ChemicalEntity"], "name": "SAR-260301", "xref": ["InChIKey:UAXHPOBBKRWJGA-ZDUSSCGKSA-N", "SMILES:C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1"], "synonym": ["Sar-260301", "SAR260301"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545142", "category": ["biolink:ChemicalEntity"], "name": "OLOCROLIMUS", "synonym": ["Sar-943"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545384", "category": ["biolink:ChemicalEntity"], "name": "SB-85635", "synonym": ["Sb-85635"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544930", "category": ["biolink:ChemicalEntity"], "name": "SC-80036", "synonym": ["Sc-80036"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386889", "category": ["biolink:ChemicalEntity"], "name": "SCH-900776", "xref": ["InChIKey:GMIZZEXBPRLVIV-SECBINFHSA-N", "SMILES:Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1"], "synonym": ["Mk-8776", "Sch-900776", "SCH 900776"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1614702", "category": ["biolink:ChemicalEntity"], "name": "SCIO-323", "xref": ["InChIKey:JBNWDYGOTHQHOZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C"], "synonym": ["Scio-323"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090173", "category": ["biolink:ChemicalEntity"], "name": "SD-0006", "xref": ["InChIKey:CATQHDWESBRRQA-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1"], "synonym": ["Sd-0006", "SD-06", "SD0006"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2326966", "category": ["biolink:ChemicalEntity"], "name": "SF-1126", "xref": ["InChIKey:SVNJBEMPMKWDCO-KCHLEUMXSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CCC(=O)OC[N+]1(c2cc(=O)c3cccc(-c4ccccc4)c3o2)CCOCC1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)[O-]"], "synonym": ["Sf-1126", "SF 1126", "SF-1126", "SF-1126 INNER SALT"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1952329", "category": ["biolink:ChemicalEntity"], "name": "SGI-1776", "xref": ["InChIKey:MHXGEROHKGDZGO-UHFFFAOYSA-N", "SMILES:CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1"], "synonym": ["Sgi-1776"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236107", "category": ["biolink:ChemicalEntity"], "name": "SGX-523", "xref": ["InChIKey:BCZUAADEACICHN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1"], "synonym": ["Sgx-523", "SGX-523", "SGX523"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL482767", "category": ["biolink:ChemicalEntity"], "name": "SNS-314", "xref": ["InChIKey:FAYAUAZLLLJJGH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1"], "synonym": ["Sns 314", "Sns-314"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL245030", "category": ["biolink:ChemicalEntity"], "name": "SR-13668", "xref": ["InChIKey:BMTPVPNVQOYGAP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2[nH]c3c(OC)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1"], "synonym": ["Sr-13668", "SR13668"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258805", "category": ["biolink:ChemicalEntity"], "name": "SU-9516", "xref": ["InChIKey:QNUKRWAIZMBVCU-WCIBSUBMSA-N", "SMILES:COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2"], "synonym": ["Su-9516", "Su9516"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545201", "category": ["biolink:ChemicalEntity"], "name": "TA-5493", "synonym": ["Ta-5493"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614707", "category": ["biolink:ChemicalEntity"], "name": "MUBRITINIB", "xref": ["InChIKey:ZTFBIUXIQYRUNT-MDWZMJQESA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1"], "synonym": ["Mubritinib", "Mubritinib", "TAK-165", "Mubritinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614725", "category": ["biolink:ChemicalEntity"], "name": "TAK-285", "xref": ["InChIKey:ZYQXEVJIFYIBHZ-UHFFFAOYSA-N", "SMILES:CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21"], "synonym": ["Tak 285", "Tak-285", "Tak285"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180604", "category": ["biolink:ChemicalEntity"], "name": "TAK-593", "xref": ["InChIKey:DZFZXPPHBWCXPQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1"], "synonym": ["Tak-593", "TAK 593"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594253", "category": ["biolink:ChemicalEntity"], "name": "MIVAVOTINIB CITRATE", "xref": ["InChIKey:ZVPYVZMKBQYKQG-ZVWHLABXSA-N", "SMILES:Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Mivavotinib citrate", "Tak 659", "Tak-659", "TAK-659", "Mivavotinib citrate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615025", "category": ["biolink:ChemicalEntity"], "name": "TAK-733", "xref": ["InChIKey:RCLQNICOARASSR-SECBINFHSA-N", "SMILES:Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21"], "synonym": ["Mek inhibitor tak-733", "Rec-4881", "Tak 733", "Tak-733", "TAK-733", "TAK733"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544932", "category": ["biolink:ChemicalEntity"], "name": "TAK-901", "xref": ["InChIKey:WKDACQVEJIVHMZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1"], "synonym": ["Tak-901"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2392545", "category": ["biolink:ChemicalEntity"], "name": "TAK-960", "xref": ["InChIKey:GWRSATNRNFYMDI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C"], "synonym": ["Tak-960", "TAK-960", "TAK960"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764045", "category": ["biolink:ChemicalEntity"], "name": "TAS-115", "xref": ["InChIKey:ORRNXRYWGDUDOG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccnc2cc1OC"], "synonym": ["Pamufetinib", "Pamufetinib", "Tas-115"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3692206", "category": ["biolink:ChemicalEntity"], "name": "TAS-119", "xref": ["InChIKey:PLAVWQHGBMTMFR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(CC3(C(=O)O)CCN(C(=O)c4cccc(Cl)c4Cl)CC3)ccc2F)n[nH]1"], "synonym": ["Tas 119", "Tas-119"]}
{"id": "CHEMBL.COMPOUND:CHEMBL192986", "category": ["biolink:ChemicalEntity"], "name": "RSM-932A", "xref": ["InChIKey:DGBVSSXGHKAASQ-UHFFFAOYSA-L", "SMILES:CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccccc54)cc3)cc2)c2ccccc12.[Br-].[Br-]"], "synonym": ["Rsm-932a", "Tcd-717", "RSM 932A"]}
{"name": "Choline kinase alpha", "xref": ["CHEMBL.TARGET:CHEMBL3117"], "id": "UniProtKB:P35790", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1944698", "category": ["biolink:ChemicalEntity"], "name": "ZOTIRACICLIB", "xref": ["InChIKey:VXBAJLGYBMTJCY-NSCUHMNNSA-N", "SMILES:CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1"], "synonym": ["Zotiraciclib", "Ex 45", "Sb-1317 free base", "Tg-02", "Tg02", "Zotiraciclib", "EX45", "SB-1317", "SB1317", "TG02", "Zotiraciclib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989869", "category": ["biolink:ChemicalEntity"], "name": "UMBRALISIB TOSYLATE", "xref": ["InChIKey:KYJWUPZPSXZEPG-NTISSMGPSA-N", "SMILES:CC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F.Cc1ccc(S(=O)(=O)O)cc1"], "synonym": ["Umbralisib tosylate", "Tgr-1202", "Umbralisib tosylate", "RP-5307", "TGR-1202", "TGR-1202 (4-METHYLBENZENESULFONATE)", "Ukoniq", "Umbralisib tosylate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545327", "category": ["biolink:ChemicalEntity"], "name": "TTP-607", "synonym": ["Ttp-607"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3040440", "category": ["biolink:ChemicalEntity"], "name": "VS-4718", "xref": ["InChIKey:IGUBBWJDMLCRIK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F"], "synonym": ["Vs-4718", "PND-1186", "SR-2516", "VS-4718"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393066", "category": ["biolink:ChemicalEntity"], "name": "VS-5584", "xref": ["InChIKey:QYBGBLQCOOISAR-UHFFFAOYSA-N", "SMILES:Cc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C"], "synonym": ["Vs 5584", "Vs-5584"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989870", "category": ["biolink:ChemicalEntity"], "name": "BERZOSERTIB", "xref": ["InChIKey:JZCWLJDSIRUGIN-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1"], "synonym": ["Berzosertib", "Berzosertib", "Vx-970", "M-6620", "M6620", "VE-822", "VX-970", "VX970", "Berzosertib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL405130", "category": ["biolink:ChemicalEntity"], "name": "WHI-P131", "xref": ["InChIKey:HOZUXBLMYUPGPZ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC"], "synonym": ["Janex 1", "Whi-p131", "JANEX-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545385", "category": ["biolink:ChemicalEntity"], "name": "WX-037", "synonym": ["Ucb-1370037", "Wx-037", "UCB1370037"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545145", "category": ["biolink:ChemicalEntity"], "name": "WX-554", "synonym": ["Wx-554"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4113131", "category": ["biolink:ChemicalEntity"], "name": "ENSARTINIB", "xref": ["InChIKey:GLYMPHUVMRFTFV-QLFBSQMISA-N", "SMILES:C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N)nn3)cc2)C[C@H](C)N1"], "synonym": ["Ensartinib", "Ensartinib", "Ensartinib", "X-396", "X-396", "Ensacove", "Ensartinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545328", "category": ["biolink:ChemicalEntity"], "name": "XL-019", "xref": ["InChIKey:ISOCDPQFIXDIMS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1"], "synonym": ["Xl-019", "XL019"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545085", "category": ["biolink:ChemicalEntity"], "name": "XL-228", "xref": ["InChIKey:ALKJNCZNEOTEMP-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1"], "synonym": ["Exel-2280", "Xl-228", "XL228"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016893", "category": ["biolink:ChemicalEntity"], "name": "XL-418", "xref": ["InChIKey:IKBSEBRGSVFUHM-UHFFFAOYSA-N", "SMILES:Cc1c(NCCN2CCCC2)cc(C(=O)CCC(F)(F)F)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1"], "synonym": ["Xl-418", "XL418"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544936", "category": ["biolink:ChemicalEntity"], "name": "XL-844", "synonym": ["Xl-844"]}
{"name": "Serine/threonine-protein kinase Chk2", "xref": ["CHEMBL.TARGET:CHEMBL2527"], "id": "UniProtKB:O96017", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571948", "category": ["biolink:ChemicalEntity"], "name": "Y-39983", "xref": ["InChIKey:JTVBXQAYBIJXRP-SNVBAGLBSA-N", "SMILES:C[C@@H](N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1"], "synonym": ["Y-39983"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544937", "category": ["biolink:ChemicalEntity"], "name": "ZD-4190", "xref": ["InChIKey:IOFHDGSCWJNVRZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1.Cl"], "synonym": ["Zd-4190"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545236", "category": ["biolink:ChemicalEntity"], "name": "BPI-9016", "synonym": ["Bpi-9016", "BPI-9016M"]}
{"name": "Tyrosine-protein kinase receptor UFO", "xref": ["CHEMBL.TARGET:CHEMBL4895"], "id": "UniProtKB:P30530", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545111", "category": ["biolink:ChemicalEntity"], "name": "HEMAY-022", "synonym": ["Hemay-022"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1206245", "category": ["biolink:ChemicalEntity"], "name": "BRICICLIB", "xref": ["InChIKey:LXENKEWVEVKKGV-BQYQJAHWSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)(O)O)c2)c(OC)c1"], "synonym": ["Briciclib", "Briciclib", "On-013105", "ON 014185", "ON-014185", "ON014185", "Briciclib"], "chembl_natural_product": true}
{"name": "G1/S-specific cyclin-D1", "xref": ["CHEMBL.TARGET:CHEMBL3610"], "id": "UniProtKB:P24385", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084617", "category": ["biolink:ChemicalEntity"], "name": "TEMANOGREL", "xref": ["InChIKey:ZEOQUKRCASTCFR-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1"], "synonym": ["Temanogrel", "Apd791", "Temanogrel", "APD-791", "APD791", "Temanogrel"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829335", "category": ["biolink:ChemicalEntity"], "name": "IRDABISANT", "xref": ["InChIKey:XUKROCVZGZNGSI-CQSZACIVSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1"], "synonym": ["Irdabisant", "Cep 26401", "Irdabisant", "CEP-26401", "CEP26401", "Irdabisant"], "chembl_natural_product": true}
{"name": "Histamine H3 receptor", "xref": ["CHEMBL.TARGET:CHEMBL264"], "id": "UniProtKB:Q9Y5N1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106003", "category": ["biolink:ChemicalEntity"], "name": "CIPRALISANT MALEATE", "xref": ["InChIKey:QIQWRCNAPQJQLL-COALEZEGSA-N", "SMILES:CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Cipralisant maleate", "Gt2331", "GT-2331", "GT-2331 MALEATE", "Perceptin", "Cipralisant maleate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205230", "category": ["biolink:ChemicalEntity"], "name": "TAK-441", "xref": ["InChIKey:ZADWXQMNNVICKB-UHFFFAOYSA-N", "SMILES:CCc1cc2c(c(OCC(F)(F)F)c(C(=O)NC3CCN(C(=O)CO)CC3)n2C)c(=O)n1CC(=O)c1ccccc1"], "synonym": ["Tak-441"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133037", "category": ["biolink:ChemicalEntity"], "name": "LEQ506", "xref": ["InChIKey:POERAARDVFVDLO-QGZVFWFLSA-N", "SMILES:Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C"], "synonym": ["Leq 506", "Leq506", "Nvp-leq-506", "LEQ-506", "LEQ506", "NVP-LEQ506"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL375611", "category": ["biolink:ChemicalEntity"], "name": "LY404039", "xref": ["InChIKey:AVDUGNCTZRCAHH-MDASVERJSA-N", "SMILES:N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21"], "synonym": ["Ly 404039", "Ly-404039", "Ly404039", "Pomaglumetad", "LY-404039, (-)-", "LY404039"]}
{"name": "Metabotropic glutamate receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5137"], "id": "UniProtKB:Q14416", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Metabotropic glutamate receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL2888"], "id": "UniProtKB:Q14832", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545203", "category": ["biolink:ChemicalEntity"], "name": "RG7342", "synonym": ["Rg7342", "RO6806127"]}
{"name": "Metabotropic glutamate receptor 5", "xref": ["CHEMBL.TARGET:CHEMBL3227"], "id": "UniProtKB:P41594", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545268", "category": ["biolink:ChemicalEntity"], "name": "MLN3126", "synonym": ["Mln3126"]}
{"name": "C-C chemokine receptor type 9", "xref": ["CHEMBL.TARGET:CHEMBL5815"], "id": "UniProtKB:P51686", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545269", "category": ["biolink:ChemicalEntity"], "name": "SAR425899", "synonym": ["Sar425899"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358920", "category": ["biolink:ChemicalEntity"], "name": "ETRASIMOD", "xref": ["InChIKey:MVGWUTBTXDYMND-QGZVFWFLSA-N", "SMILES:O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21"], "synonym": ["Etrasimod", "Etrasimod", "Apd334", "Etrasimod", "APD-334", "APD-334(FREE ACID)", "APD334", "Etrasimod"], "chembl_availability_type": "prescription only"}
{"name": "Sphingosine 1-phosphate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4333"], "id": "UniProtKB:P21453", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175981", "category": ["biolink:ChemicalEntity"], "name": "OLORINAB", "xref": ["InChIKey:ACSQLTBPYZSGBA-GMXVVIOVSA-N", "SMILES:CC(C)(C)[C@@H](CO)NC(=O)c1nn(-c2c[n+]([O-])ccn2)c2c1C[C@@H]1C[C@H]21"], "synonym": ["Olorinab", "Apd371", "Olorinab", "APD-371", "APD371", "Olorinab"]}
{"name": "Cannabinoid receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL253"], "id": "UniProtKB:P34972", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545386", "category": ["biolink:ChemicalEntity"], "name": "BI113823", "synonym": ["Bi113823"]}
{"name": "B1 bradykinin receptor", "xref": ["CHEMBL.TARGET:CHEMBL4308"], "id": "UniProtKB:P46663", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397751", "category": ["biolink:ChemicalEntity"], "name": "SAD448", "xref": ["InChIKey:PMBUDILHPXTDNY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)cc2nc(COC(=O)NCCO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C"], "synonym": ["Sad448"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915620", "category": ["biolink:ChemicalEntity"], "name": "LY2881835", "xref": ["InChIKey:FHRWHNJJQGSCQC-LJAQVGFWSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1"], "synonym": ["Ly2881835", "LY-2881835", "LY2881835"]}
{"name": "Free fatty acid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4422"], "id": "UniProtKB:O14842", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545270", "category": ["biolink:ChemicalEntity"], "name": "LY2969822", "synonym": ["Ly2969822"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303379", "category": ["biolink:ChemicalEntity"], "name": "LY2979165", "xref": ["InChIKey:BBGHHIUQOKQCBW-LDZWZCGGSA-N", "SMILES:C[C@H](N)C(=O)N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21"], "synonym": ["Ly2979165", "HY-13239", "LY-2979165"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545087", "category": ["biolink:ChemicalEntity"], "name": "GSK159802", "synonym": ["Gsk159802"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3694769", "category": ["biolink:ChemicalEntity"], "name": "PBF-509", "xref": ["InChIKey:ATFXVNUWQOXRRU-UHFFFAOYSA-N", "SMILES:Nc1nc(-n2cccn2)nc(-n2cccn2)c1Br"], "synonym": ["Pbf-509"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942498", "category": ["biolink:ChemicalEntity"], "name": "PBF-999", "xref": ["InChIKey:OQCWNHHZPYJHQR-UHFFFAOYSA-N", "SMILES:C#CCNc1nc(-n2cncn2)nc(N)c1Br"], "synonym": ["Pbf 999", "Pbf-999", "PBF999"]}
{"name": "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A", "xref": ["CHEMBL.TARGET:CHEMBL4409"], "id": "UniProtKB:Q9Y233", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197669", "category": ["biolink:ChemicalEntity"], "name": "ST1535", "xref": ["InChIKey:CYYQMAWUIRPCNW-UHFFFAOYSA-N", "SMILES:CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1"], "synonym": ["Ct-1500", "St-1535", "St1535"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545146", "category": ["biolink:ChemicalEntity"], "name": "SRX251", "synonym": ["Srx251"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2062154", "category": ["biolink:ChemicalEntity"], "name": "CI-988", "xref": ["InChIKey:FVQSSYMRZKLFDR-QRCSZXLUSA-N", "SMILES:C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1"], "synonym": ["Ci-988", "PD-134308"]}
{"name": "Gastrin/cholecystokinin type B receptor", "xref": ["CHEMBL.TARGET:CHEMBL298"], "id": "UniProtKB:P32239", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915540", "category": ["biolink:ChemicalEntity"], "name": "ADRIFORANT", "xref": ["InChIKey:ISBHYKVAFKTATD-SNVBAGLBSA-N", "SMILES:CN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1"], "synonym": ["Adriforant", "Adriforant", "Pf-03893787", "NVP-ZPL389-NX", "PF-03893787", "PF-3893787", "ZPL-389", "ZPL-389-NX", "ZPL-3893787", "ZPL389-NX", "Adriforant"]}
{"name": "Histamine H4 receptor", "xref": ["CHEMBL.TARGET:CHEMBL3759"], "id": "UniProtKB:Q9H3N8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545388", "category": ["biolink:ChemicalEntity"], "name": "SERIDOPIDINE", "xref": ["InChIKey:PHRDGRSMZPOCAB-UHFFFAOYSA-N", "SMILES:CCN1CCC(c2cc(F)cc(S(C)(=O)=O)c2)CC1"], "synonym": ["Seridopidine", "Seridopidina", "Acr343"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545010", "category": ["biolink:ChemicalEntity"], "name": "ORDOPIDINE", "xref": ["InChIKey:UKUPJASJNQDHPH-UHFFFAOYSA-N", "SMILES:CCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1"], "synonym": ["Ordopidine", "Ordopidina", "Acr325", "Ordopidine", "ACR-325", "ACR325"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234681", "category": ["biolink:ChemicalEntity"], "name": "TEDALINAB", "xref": ["InChIKey:NTPZXHMTJGOMCJ-WDEREUQCSA-N", "SMILES:CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1[C@H]1CC[C@@H]2C1"], "synonym": ["Tedalinab", "Grc-10693", "GRC10693"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545330", "category": ["biolink:ChemicalEntity"], "name": "MSX-122", "xref": ["InChIKey:PXZXYRKDDXKDTK-UHFFFAOYSA-N", "SMILES:c1cnc(NCc2ccc(CNc3ncccn3)cc2)nc1"], "synonym": ["Msx 122", "Msx-122"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545011", "category": ["biolink:ChemicalEntity"], "name": "GS-9667", "xref": ["InChIKey:IZRXENCTXNMAMI-DIJFLQFKSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc21"], "synonym": ["Gs-9667", "CVT 3619", "CVT-3619"]}
{"name": "Adenosine receptor A1", "xref": ["CHEMBL.TARGET:CHEMBL226"], "id": "UniProtKB:P30542", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545331", "category": ["biolink:ChemicalEntity"], "name": "RPR749", "synonym": ["Rpr749"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440115", "category": ["biolink:ChemicalEntity"], "name": "FK453", "xref": ["InChIKey:OPLOPFHUHFGKMJ-JXOMPUQVSA-N", "SMILES:O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)N1CCCC[C@@H]1CCO"], "synonym": ["Fk453", "FK-453"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260933", "category": ["biolink:ChemicalEntity"], "name": "GS 6201", "xref": ["InChIKey:KOYXXLLNCXWUNF-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O"], "synonym": ["Gs 6201", "CVT-6883", "GS-6201"]}
{"name": "Adenosine receptor A2b", "xref": ["CHEMBL.TARGET:CHEMBL255"], "id": "UniProtKB:P29275", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672627", "category": ["biolink:ChemicalEntity"], "name": "LAS101057", "xref": ["InChIKey:XUYURJQIMYCWBB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1"], "synonym": ["Las101057", "LAS-101057"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545204", "category": ["biolink:ChemicalEntity"], "name": "QAF805", "synonym": ["Qaf805"]}
{"name": "Adenosine receptor A3", "xref": ["CHEMBL.TARGET:CHEMBL256"], "id": "UniProtKB:P0DMS8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916700", "category": ["biolink:ChemicalEntity"], "name": "LAS190792", "xref": ["InChIKey:SNXJYSXRLKUBSZ-WBXFWKJNSA-N", "SMILES:COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"], "synonym": ["Azd 8999", "Las190792", "LAS-190792"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314389", "category": ["biolink:ChemicalEntity"], "name": "CR-3465", "xref": ["InChIKey:KGZGMOFDZSCICN-YCBFMBTMSA-M", "SMILES:O=C(N[C@@H](Cc1ccc(OCc2ccc3ccc(F)cc3n2)cc1)C(=O)[O-])c1ccc2ccccc2n1.[Na+]"], "synonym": ["Cr-3465", "CR3465"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104927", "category": ["biolink:ChemicalEntity"], "name": "FIGOPITANT", "xref": ["InChIKey:HUTHJVYJUPXHDF-DEOSSOPVSA-N", "SMILES:CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CCN(CC2CC2)CC1"], "synonym": ["Figopitant", "Biif 1149", "Figopitant", "BIIF 1149 BS", "BIIF 1149 CL", "BIIF-1149 BS", "BIIF-1149-BS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301577", "category": ["biolink:ChemicalEntity"], "name": "IPAFRICEPT", "synonym": ["Ipafricept", "Ipafricept", "OMP-54F28", "Ipafricept"]}
{"name": "Frizzled-8", "xref": ["CHEMBL.TARGET:CHEMBL3559689"], "id": "UniProtKB:Q9H461", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364652", "category": ["biolink:ChemicalEntity"], "name": "VANTICTUMAB", "synonym": ["Vantictumab", "Vantictumab", "OMP-18R5", "Vantictumab"]}
{"name": "Frizzled-1", "xref": ["CHEMBL.TARGET:CHEMBL2346493"], "id": "UniProtKB:Q9UP38", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Frizzled-2", "xref": ["CHEMBL.TARGET:CHEMBL3559686"], "id": "UniProtKB:Q14332", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Frizzled-5", "xref": ["CHEMBL.TARGET:CHEMBL3559687"], "id": "UniProtKB:Q13467", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Frizzled-7", "xref": ["CHEMBL.TARGET:CHEMBL3559688"], "id": "UniProtKB:O75084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2369989", "category": ["biolink:ChemicalEntity"], "name": "ATILMOTIN", "xref": ["InChIKey:DUQRILZXKXSRIY-RUBJUKRASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)[N+](C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"], "synonym": ["Atilmotin", "Atilmotine", "Atilmotina", "BAX-ACC-1638", "MOT-288", "OHM-11638", "Atilmotin"]}
{"name": "Motilin receptor", "xref": ["CHEMBL.TARGET:CHEMBL2203"], "id": "UniProtKB:O43193", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1980391", "category": ["biolink:ChemicalEntity"], "name": "RG-1530", "xref": ["InChIKey:UOVCGJXDGOGOCZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2"], "synonym": ["R-1530", "Rg-1530", "RG-1530"]}
{"name": "Serine/threonine-protein kinase PLK4", "xref": ["CHEMBL.TARGET:CHEMBL3788"], "id": "UniProtKB:O00444", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545915", "category": ["biolink:ChemicalEntity"], "name": "PUQUITINIB MESYLATE DIHYDRATE", "xref": ["InChIKey:FZCUKXDHZVKFFA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.O.O.c1cnc2ccc(Nc3nc(NC4CC4)c4nc[nH]c4n3)cc2c1"], "synonym": ["Puquitinib dimesylate dihydrate", "Puquitinib mesylate dihydrate", "Xc-302"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067987", "category": ["biolink:ChemicalEntity"], "name": "CEP-2563 DIHYDROCHLORIDE", "xref": ["InChIKey:PBEVPBFDKPJIOM-HQKLUXGTSA-N", "SMILES:CO[C@]1(COC(=O)CCNC(=O)[C@@H](N)CCCCN)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4.Cl.Cl"], "synonym": ["Cep-2563", "CEP-2563 DIHYDROCHLORIDE", "KT-8391"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545147", "category": ["biolink:ChemicalEntity"], "name": "IMD-2560", "synonym": ["Imd-2560"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545090", "category": ["biolink:ChemicalEntity"], "name": "RXDX-103", "synonym": ["Rxdx-103"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894860", "category": ["biolink:ChemicalEntity"], "name": "TRILACICLIB", "xref": ["InChIKey:PDGKHKMBHVFCMG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1"], "synonym": ["Trilaciclib", "Trilaciclib", "G1t28-1", "Trilaciclib", "G1T28", "Trilaciclib"], "chembl_availability_type": "prescription only"}
{"name": "Cyclin-dependent kinase 6", "xref": ["CHEMBL.TARGET:CHEMBL2508"], "id": "UniProtKB:Q00534", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229430", "category": ["biolink:ChemicalEntity"], "name": "AMG-517", "xref": ["InChIKey:YUTIXVXZQIQWGY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1"], "synonym": ["Amg-517"]}
{"id": "CHEMBL.COMPOUND:CHEMBL398338", "category": ["biolink:ChemicalEntity"], "name": "ABT-102", "xref": ["InChIKey:TYOYXJNGINZFET-GOSISDBHSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2[nH]ncc12"], "synonym": ["Abt-102"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545148", "category": ["biolink:ChemicalEntity"], "name": "PHE377", "synonym": ["Phe377"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504652", "category": ["biolink:ChemicalEntity"], "name": "TC-2216", "xref": ["InChIKey:NXIPMBQVNTWEEX-UHFFFAOYSA-N", "SMILES:c1cncc(N2CCC3(CCCN3)C2)c1"], "synonym": ["Tc-2216", "TC-2216"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783256", "category": ["biolink:ChemicalEntity"], "name": "AZD6280", "xref": ["InChIKey:NVWCZRPXYVDQEE-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N"], "synonym": ["Azd-6280", "Azd6280", "AZD6280"], "chembl_natural_product": true}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL4956"], "id": "UniProtKB:P47869", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL3026"], "id": "UniProtKB:P34903", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222883", "category": ["biolink:ChemicalEntity"], "name": "GSK1482160", "xref": ["InChIKey:BJEMSIVBBUBXMZ-JTQLQIEISA-N", "SMILES:CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl"], "synonym": ["Gsk-1482160", "Gsk1482160", "GSK1482160", "GSK1482160A"]}
{"name": "P2X purinoceptor 7", "xref": ["CHEMBL.TARGET:CHEMBL4805"], "id": "UniProtKB:Q99572", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3678076", "category": ["biolink:ChemicalEntity"], "name": "EVENAMIDE", "xref": ["InChIKey:GRHBODILPPXVKN-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(CCNCC(=O)N(C)C)c1"], "synonym": ["Evenamide", "Evenamida", "Evenamide", "Nw-3509"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545208", "category": ["biolink:ChemicalEntity"], "name": "AZD3161", "synonym": ["Azd3161"]}
{"name": "Sodium channel protein type 9 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4296"], "id": "UniProtKB:Q15858", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545091", "category": ["biolink:ChemicalEntity"], "name": "XEN403", "synonym": ["Xen403"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095026", "category": ["biolink:ChemicalEntity"], "name": "DSP-2230", "xref": ["InChIKey:HHXCJIMPEJSJTG-SNVBAGLBSA-N", "SMILES:C[C@@H](NCc1nc2ccc(Oc3cc(F)c(F)c(F)c3)nc2n1C1CCC1)C(N)=O"], "synonym": ["Dsp-2230"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545209", "category": ["biolink:ChemicalEntity"], "name": "NKTR-171", "synonym": ["Nktr-171"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429317", "category": ["biolink:ChemicalEntity"], "name": "AVL-3288", "xref": ["InChIKey:VMAKIACTLSBBIY-BOPFTXTBSA-N", "SMILES:Cc1cc(/C(=C/Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)on1"], "synonym": ["Avl-3288", "Anvylic-3288", "CCMI", "UCI-4083", "XY-4083"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-7", "xref": ["CHEMBL.TARGET:CHEMBL2492"], "id": "UniProtKB:P36544", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214268", "category": ["biolink:ChemicalEntity"], "name": "PHA-543613", "xref": ["InChIKey:IPKZCLGGYKRDES-ZDUSSCGKSA-N", "SMILES:O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1"], "synonym": ["Pha-00543613", "Pha-543613", "J3.179.420J", "PHA-543,613"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151570", "category": ["biolink:ChemicalEntity"], "name": "ABT-107", "xref": ["InChIKey:LUKNJAQKVPBDSC-SFHVURJKSA-N", "SMILES:c1cc2cc(-c3ccc(O[C@H]4CN5CCC4CC5)nn3)ccc2[nH]1"], "synonym": ["Abt-107", "Abt-107 free base", "ABT-PR1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545013", "category": ["biolink:ChemicalEntity"], "name": "APN1125", "synonym": ["Apn1125"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181753", "category": ["biolink:ChemicalEntity"], "name": "AM-211", "xref": ["InChIKey:OPXIRFWNLBDKQB-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)NCc1ccccc1"], "synonym": ["Am-211", "AM211"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095021", "category": ["biolink:ChemicalEntity"], "name": "AM-461", "xref": ["InChIKey:SDHFXINHZHARIB-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C"], "synonym": ["Am-461", "AM461"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561132", "category": ["biolink:ChemicalEntity"], "name": "MK-7246", "xref": ["InChIKey:JTCAGRAKUAAYDY-OAHLLOKOSA-N", "SMILES:CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1"], "synonym": ["MK-7246", "MK7246"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544941", "category": ["biolink:ChemicalEntity"], "name": "RG7185", "synonym": ["Rg7185", "RO5271983"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545193", "category": ["biolink:ChemicalEntity"], "name": "MSC-2364447", "synonym": ["Msc-2364447"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650214", "category": ["biolink:ChemicalEntity"], "name": "ZANDELISIB", "xref": ["InChIKey:WPFUFWIHMYZXSF-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1"], "synonym": ["Zandelisib", "Me-401", "Pwt-143", "Zandelisib", "ACC-524", "ME-401", "PW-143", "PWT-143", "PWT143", "Zandelisib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456085", "category": ["biolink:ChemicalEntity"], "name": "BAY-1217389", "xref": ["InChIKey:WNEILUNVMHVMPH-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F"], "synonym": ["Bay-1217389", "BAY-1217389"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277072", "category": ["biolink:ChemicalEntity"], "name": "HENATINIB", "xref": ["InChIKey:MCTXSDCWFQAGFS-UEXNTNOUSA-N", "SMILES:Cc1c(/C=C2\\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CCC2"], "synonym": ["Henatinib", "Henatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3647420", "category": ["biolink:ChemicalEntity"], "name": "PYROTINIB", "xref": ["InChIKey:SADXACCFNXBCFY-IYNHSRRRSA-N", "SMILES:CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/[C@H]1CCCN1C"], "synonym": ["Pyrotinib", "SHR-1258", "Pyrotinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545354", "category": ["biolink:ChemicalEntity"], "name": "CAFUSERTIB", "synonym": ["Cafusertib", "Cafusertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470585", "category": ["biolink:ChemicalEntity"], "name": "GSK2798745", "xref": ["InChIKey:URCMKDJBULWNAI-DQEYMECFSA-N", "SMILES:CC(C)(O)c1cnc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1"], "synonym": ["Gsk-2798745", "Gsk2798745"]}
{"name": "Transient receptor potential cation channel subfamily V member 4", "xref": ["CHEMBL.TARGET:CHEMBL3119"], "id": "UniProtKB:Q9HBA0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707353", "category": ["biolink:ChemicalEntity"], "name": "RG7893", "synonym": ["Rg7893", "GDC-0276"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707396", "category": ["biolink:ChemicalEntity"], "name": "EVT401", "synonym": ["Evt401"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707354", "category": ["biolink:ChemicalEntity"], "name": "ABT-560", "synonym": ["Abt-560"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29919", "category": ["biolink:ChemicalEntity"], "name": "ELPETRIGINE", "xref": ["InChIKey:NNXUYJFHOVCRSM-UHFFFAOYSA-N", "SMILES:Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1"], "synonym": ["Elpetrigine", "Elpetrigina", "Elpetrigine", "JZP-4", "Elpetrigine"]}
{"name": "Sodium channel protein type 2 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4187"], "id": "UniProtKB:Q99250", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium channel protein type 3 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL5163"], "id": "UniProtKB:Q9NY46", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent P/Q-type calcium channel subunit alpha-1A", "xref": ["CHEMBL.TARGET:CHEMBL4266"], "id": "UniProtKB:O00555", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29741", "category": ["biolink:ChemicalEntity"], "name": "IRAMPANEL", "xref": ["InChIKey:QZULPCPLWGCGSL-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccccc1-c1nc(-c2ccccc2)no1"], "synonym": ["Irampanel", "Irampanel", "BIIR 561", "BIIR-561", "BIIR-561 CL"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104449", "category": ["biolink:ChemicalEntity"], "name": "SARAKALIM", "xref": ["InChIKey:FXRJKZVWFJSKGI-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)CC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C"], "synonym": ["Sarakalim", "Sarakalim", "RS-91309"]}
{"id": "CHEMBL.TARGET:CHEMBL2095152", "category": ["biolink:MacromolecularComplex"], "name": "Sulfonylurea receptors; K-ATP channels"}
{"id": "CHEMBL.COMPOUND:CHEMBL2110814", "category": ["biolink:ChemicalEntity"], "name": "DELUCEMINE", "xref": ["InChIKey:MUGNLPWYHGOJEG-UHFFFAOYSA-N", "SMILES:CNCCC(c1cccc(F)c1)c1cccc(F)c1"], "synonym": ["Delucemine", "Delucemina", "Delucemine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364618", "category": ["biolink:ChemicalEntity"], "name": "MAVATREP", "xref": ["InChIKey:ORDHXXHTBUZRCN-NTEUORMPSA-N", "SMILES:CC(C)(O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)nc2c1"], "synonym": ["Mavatrep", "Mavatrep", "Mavatrep", "JNJ-39439335", "Mavatrep"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707397", "category": ["biolink:ChemicalEntity"], "name": "MR-1817", "synonym": ["Mr-1817"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707398", "category": ["biolink:ChemicalEntity"], "name": "PAC-14028", "synonym": ["Asivatrep", "Asivatrep", "Pac-14028"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707378", "category": ["biolink:ChemicalEntity"], "name": "CB-189625", "synonym": ["Cb-189625", "CB-625"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707315", "category": ["biolink:ChemicalEntity"], "name": "D-3263", "synonym": ["D 3263", "D-3263", "D-3263", "D-3263 (FREE BASE)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707399", "category": ["biolink:ChemicalEntity"], "name": "CX1739", "synonym": ["Cx1739", "CX-1739"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095022", "category": ["biolink:ChemicalEntity"], "name": "PESAMPATOR", "xref": ["InChIKey:TTYKUKSFWHEBLI-DLBZAZTESA-N", "SMILES:CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc1ccc(-c2ccc(C#N)s2)cc1"], "synonym": ["Pesampator", "Pesampator", "Pesampator", "Pesampator", "Pf-04958242", "BIIB-104", "BIIB104", "PF-04958242", "PF-4958242", "Pesampator"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3707355", "category": ["biolink:ChemicalEntity"], "name": "AZD8108", "synonym": ["Azd8108"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707380", "category": ["biolink:ChemicalEntity"], "name": "RG6029", "synonym": ["Rg6029", "GDC-0310"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545210", "category": ["biolink:ChemicalEntity"], "name": "TAS-108", "xref": ["InChIKey:VOHOCSJONOJOSD-RQIKCBEZSA-N", "SMILES:CCN(CC)Cc1ccc(OCC[C@H]2CCC3C4C(CC[C@@]32C)c2ccc(O)cc2C[C@H]4C)c(OC)c1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Sr-16234", "Sr16234", "Tas-108 citrate", "HLX-801", "SR-16234", "TAS-108"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297509", "category": ["biolink:ChemicalEntity"], "name": "ELACESTRANT", "xref": ["InChIKey:SIFNOOUKXBRGGB-AREMUKBSSA-N", "SMILES:CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1"], "synonym": ["Elacestrant", "Elacestrant", "Elacestrant", "Rad1901", "ER-306323", "RAD-1901", "RAD1901", "Elacestrant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107341", "category": ["biolink:ChemicalEntity"], "name": "FISPEMIFENE", "xref": ["InChIKey:NKZTZAQIKKGTDB-QPLCGJKRSA-N", "SMILES:OCCOCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1"], "synonym": ["Fispemifene", "Fispemifeno", "Fispemifene", "HM-101", "HM-101a", "Fispemifene"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545389", "category": ["biolink:ChemicalEntity"], "name": "LY2245461", "synonym": ["Ly2245461"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6318", "category": ["biolink:ChemicalEntity"], "name": "IDOXIFENE", "xref": ["InChIKey:JJKOTMDDZAJTGQ-DQSJHHFOSA-N", "SMILES:CC/C(=C(\\c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1"], "synonym": ["Idoxifene", "Idoxifene", "Idoxifeno", "CB 7432", "CB-7432", "CB7432", "SB-223030", "SB223030", "Idoxifene"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545274", "category": ["biolink:ChemicalEntity"], "name": "MK-6913", "xref": ["InChIKey:LYLIIGQPIKTONH-RUZDIDTESA-N", "SMILES:CC(C)(C)n1nnc2c3c(ccc21)C1=CC(=O)CC[C@@]1(CCOc1ccccc1)C3"], "synonym": ["Mk-6913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232583", "category": ["biolink:ChemicalEntity"], "name": "INDEGLITAZAR", "xref": ["InChIKey:YMPALHOKRBVHOJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cc(OC)ccc32)cc1"], "synonym": ["Indeglitazar", "Indeglitazar", "PPM-204", "Indeglitazar"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3559683", "category": ["biolink:ProteinFamily"], "name": "Peroxisome proliferator-activated receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2104984", "category": ["biolink:ChemicalEntity"], "name": "SODELGLITAZAR", "xref": ["InChIKey:ZUGQWAYOWCBWGM-UHFFFAOYSA-N", "SMILES:Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3F)nc2C)ccc1OC(C)(C)C(=O)O"], "synonym": ["Sodelglitazar", "Sodelglitazar", "GW-677954", "GW677954", "Sodelglitazar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75133", "category": ["biolink:ChemicalEntity"], "name": "IRX-4204", "xref": ["InChIKey:BOOOLEGQBVUTKC-NVQSDHBMSA-N", "SMILES:CC(/C=C/[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\\C(=O)O"], "synonym": ["Irx-4204", "AGN-194204", "AGN194204", "KB-145960", "NRX-194204", "NRX194204", "VTP-194204"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3221237", "category": ["biolink:ChemicalEntity"], "name": "MK-0773", "xref": ["InChIKey:GBEUKTWTUSPHEE-JWJWXJQQSA-N", "SMILES:CN1C(=O)C(F)=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NCc5nc6cccnc6[nH]5)CC[C@H]4[C@@H]3CC[C@@H]12"], "synonym": ["Mk-0773", "PF-05314882"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590187", "category": ["biolink:ChemicalEntity"], "name": "CLASCOTERONE", "xref": ["InChIKey:GPNHMOZDMYNCPO-PDUMRIMRSA-N", "SMILES:CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "synonym": ["Clascoterone", "Clascoterone", "Clascoterone", "Clascoterona", "Cb-03-01", "Clascoterone", "Cortexolone 17.alpha.-propionate", "Cortodoxone 17.alpha.-propionate", "CB-03-01", "Breezula", "Winlevi", "Clascoterone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105738", "category": ["biolink:ChemicalEntity"], "name": "GALETERONE", "xref": ["InChIKey:PAFKTGFSEFKSQG-PAASFTFBSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"], "synonym": ["Galeterone", "Galeterona", "Galeterone", "TOK 001", "TOK-001", "VN 124", "VN-124", "VN/124", "VN/124-1", "Galeterone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545017", "category": ["biolink:ChemicalEntity"], "name": "GTX-758", "xref": ["InChIKey:FBCQEUMZZNVQKD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(F)c1)N(c1ccc(O)cc1)c1ccc(F)cc1"], "synonym": ["Gtx 758", "Gtx-758", "Capesaris"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489", "category": ["biolink:ChemicalEntity"], "name": "AFIMOXIFENE", "xref": ["InChIKey:TXUZVZSFRXZGTL-QPLCGJKRSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1"], "synonym": ["Afimoxifene", "Afimoxifeno", "4-hydroxytamoxifen", "Afimoxifene", "4-OHT", "Tamogel", "Afimoxifene"], "chembl_natural_product": true}
{"name": "Estrogen-related receptor gamma", "xref": ["CHEMBL.TARGET:CHEMBL4245"], "id": "UniProtKB:P62508", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450940", "category": ["biolink:ChemicalEntity"], "name": "PRINABEREL", "xref": ["InChIKey:MQIMZDXIAHJKQP-UHFFFAOYSA-N", "SMILES:C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12"], "synonym": ["Prinaberel", "Prinaberel", "ERB-041", "PF-00913086", "Prinaberel"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278703", "category": ["biolink:ChemicalEntity"], "name": "ERTEBEREL", "xref": ["InChIKey:XIESSJVMWNJCGZ-VKJFTORMSA-N", "SMILES:Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1"], "synonym": ["Erteberel", "Erteberel", "Serba-1", "LY-500307", "LY500307", "Erteberel"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL198877", "category": ["biolink:ChemicalEntity"], "name": "AUS-131", "xref": ["InChIKey:ADFCQWZHKCXPAJ-GFCCVEGCSA-N", "SMILES:Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1"], "synonym": ["(s)-equol", "Aus-131"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545092", "category": ["biolink:ChemicalEntity"], "name": "CR 1447", "synonym": ["Cr 1447"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137304", "category": ["biolink:ChemicalEntity"], "name": "DAGROCORAT", "xref": ["InChIKey:QJJBNCHSWFGXML-KEKPKEOLSA-N", "SMILES:Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1"], "synonym": ["Dagrocorat", "Dagrocorat", "PF-00251802", "PF-0251802", "PF-802", "Dagrocorat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545391", "category": ["biolink:ChemicalEntity"], "name": "ORG-34517", "xref": ["InChIKey:DFELGYQKEOCHOA-RBXNTRDFSA-N", "SMILES:CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCO4)C[C@@]21C"], "synonym": ["Org-34517", "Pt150", "ORG 34517", "ORG-34517", "ORG34517", "PT-150", "PT150", "SCH 900636", "SCH-900636"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2181929", "category": ["biolink:ChemicalEntity"], "name": "MT-3995", "xref": ["InChIKey:AZNHWXAFPBYFGH-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(c2ccc(F)cc2)C1=O"], "synonym": ["Apararenone", "Apararenona", "Apararenone", "Mt-3995", "MT-3995"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088896", "category": ["biolink:ChemicalEntity"], "name": "LY2623091", "xref": ["InChIKey:YPCLDHGBEKZGEB-RUDKWAFVSA-N", "SMILES:C[C@H](CN1CCOCC1)n1/c(=N\\C(N)=O)[nH]c2cc(/C=C3\\c4ccccc4COc4cc(F)ccc43)ccc21"], "synonym": ["Ly-2623091", "Ly2623091"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545393", "category": ["biolink:ChemicalEntity"], "name": "XL550", "synonym": ["Esaxerenone", "Esaxerenone", "Xl550", "CS-3150", "XL-550"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181927", "category": ["biolink:ChemicalEntity"], "name": "FINERENONE", "xref": ["InChIKey:BTBHLEZXCOBLCY-QGZVFWFLSA-N", "SMILES:CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2"], "synonym": ["Finerenone", "Finerenone", "Finerenone", "Finerenone", "Finerenona", "Bay94-8862", "Finerenone", "BAY 94-8862", "BAY-94-8862", "Kerendia", "Finerenone"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL146032", "category": ["biolink:ChemicalEntity"], "name": "LONAPRISAN", "xref": ["InChIKey:VHZPUDNSVGRVMB-RXDLHWJPSA-N", "SMILES:CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1"], "synonym": ["Lonaprisan", "Lonaprisan", "Zk-230211", "BAY86-5044", "ZK 230211", "ZK-230211", "ZK230211", "Lonaprisan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105694", "category": ["biolink:ChemicalEntity"], "name": "TELAPRISTONE ACETATE", "xref": ["InChIKey:JVBGZFRPTRKSBB-MJBQOYBXSA-N", "SMILES:COCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C"], "synonym": ["Telapristone acetate", "CDB-4124", "RU 44675", "RU-44675", "ZPV-200", "Proellex", "Proellextm", "Progenta", "Telapristone acetate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1908373", "category": ["biolink:ChemicalEntity"], "name": "ONAPRISTONE", "xref": ["InChIKey:IEXUMDBQLIVNHZ-YOUGDJEHSA-N", "SMILES:CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1"], "synonym": ["Onapristone", "Onapristone", "Onapristona", "Onapristone", "Onapristone", "Zk-98299", "Zk98299", "ZK-299", "ZK-98299", "ZK299"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545093", "category": ["biolink:ChemicalEntity"], "name": "ZYH7", "synonym": ["Zyh7"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314385", "category": ["biolink:ChemicalEntity"], "name": "CP-778875", "xref": ["InChIKey:VRAPCAZHERPDQO-UHFFFAOYSA-N", "SMILES:CCc1ccc(CSc2ccc(NS(=O)(=O)c3ccc(C)c(C(=O)O)c3)cc2)cc1"], "synonym": ["Cp-778875", "CP-778,875", "CP-778875"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424133", "category": ["biolink:ChemicalEntity"], "name": "LY-518674", "xref": ["InChIKey:PNHFDVSKDSLUFH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nc2O)cc1"], "synonym": ["Ly-518674", "KB-68984", "LY-674", "LY518674"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545394", "category": ["biolink:ChemicalEntity"], "name": "DRF-10945", "synonym": ["Drf-10945"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219586", "category": ["biolink:ChemicalEntity"], "name": "GW590735", "xref": ["InChIKey:ILUPZUOBHCUBKB-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1"], "synonym": ["Gw590735", "GW-590735"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545334", "category": ["biolink:ChemicalEntity"], "name": "AVE8134", "synonym": ["Ave8134"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93747", "category": ["biolink:ChemicalEntity"], "name": "NETOGLITAZONE", "xref": ["InChIKey:PKWDZWYVIHVNKS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1"], "synonym": ["Netoglitazone", "Netoglitazona", "Mcc-555", "MCC 555", "MCC555", "PGX-510", "RWJ-241947", "Netoglitazone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL107367", "category": ["biolink:ChemicalEntity"], "name": "FARGLITAZAR", "xref": ["InChIKey:ZZCHHVUQYRMYLW-HKBQPEDESA-N", "SMILES:Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1"], "synonym": ["Farglitazar", "Farglitazar", "Gi262570", "G1-262570", "GI-262570", "GI-262570X", "GI262570X", "Farglitazar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181954", "category": ["biolink:ChemicalEntity"], "name": "NAVEGLITAZAR", "xref": ["InChIKey:OKJHGOPITGTTIM-DEOSSOPVSA-N", "SMILES:CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O"], "synonym": ["Naveglitazar", "Ly519818", "Naveglitazar", "LY-519818", "LY-9818", "LY519818", "LY9818", "Naveglitazar"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL230158", "category": ["biolink:ChemicalEntity"], "name": "SELADELPAR", "xref": ["InChIKey:JWHYSEDOYMYMNM-QGZVFWFLSA-N", "SMILES:CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1"], "synonym": ["Seladelpar", "Seladelpar", "Mbx-8025", "Seladelpar", "(+)-MBX-8025", "MBX-8025", "RWJ-800025", "Seladelpar"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5095027", "category": ["biolink:ChemicalEntity"], "name": "OMS405", "xref": ["InChIKey:QINWTFKFPMRNJP-UHFFFAOYSA-N", "SMILES:CCP(=S)(Oc1ccc([N+](=O)[O-])cc1Cl)OC(C)C"], "synonym": ["Oms405"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490029", "category": ["biolink:ChemicalEntity"], "name": "MK-0533", "xref": ["InChIKey:STWITCBWQHTJFJ-XMMPIXPASA-N", "SMILES:CC[C@@H](Oc1cccc(-n2c(C)c(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O"], "synonym": ["Mk-0533", "MK0533"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545020", "category": ["biolink:ChemicalEntity"], "name": "MBX-2044", "synonym": ["Mbx-2044"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236924", "category": ["biolink:ChemicalEntity"], "name": "INT131", "xref": ["InChIKey:NMRWDFUZLLQSBN-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl"], "synonym": ["Ibrigampar", "Ibrigampar", "Int131", "AMG-131", "CHS-131", "INT-131", "T-0903131", "T0903131", "T131"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545278", "category": ["biolink:ChemicalEntity"], "name": "ATX08-001", "xref": ["InChIKey:UYGZODVVDUIDDQ-UHFFFAOYSA-N", "SMILES:CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(Cl)cc3Cl)c2c1"], "synonym": ["Atx08-001", "FK-614", "FK614"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545279", "category": ["biolink:ChemicalEntity"], "name": "EFATUTAZONE HYDROCHLORIDE", "xref": ["InChIKey:WFIOHOJEIMQCEG-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N.Cl.Cl"], "synonym": ["Efatutazone dihydrochloride", "Efatutazone hydrochloride", "Inolitazone dihydrochloride", "CS-7017", "RS5444"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103824", "category": ["biolink:ChemicalEntity"], "name": "ARHALOFENATE", "xref": ["InChIKey:BJBCSGQLZQGGIQ-QGZVFWFLSA-N", "SMILES:CC(=O)NCCOC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1"], "synonym": ["Arhalofenate", "Arhalofenato", "Arhalofenate", "CB-102", "CB102", "JNJ-39659100", "M-102", "M102", "MBX-102", "Arhalofenate"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL107430", "category": ["biolink:ChemicalEntity"], "name": "NRX195183", "xref": ["InChIKey:PNAWUIKCVQSLFG-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(C)(C)c2c1cc(C(=O)Nc1cc(F)c(C(=O)O)c(F)c1)c(O)c2Cl"], "synonym": ["Irx-5183", "Nrx195183", "AGN 195183", "AGN-195183", "IRX5183", "NRX-195183", "NRX195183", "VTP-195183", "VTP-5183"]}
{"name": "Retinoic acid receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL2055"], "id": "UniProtKB:P10276", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105648", "category": ["biolink:ChemicalEntity"], "name": "PALOVAROTENE", "xref": ["InChIKey:YTFHCXIPDIHOIA-DHZHZOJOSA-N", "SMILES:CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21"], "synonym": ["Palovarotene", "Palovarotene", "Palovarotene", "Palovaroteno", "Palovarotene", "R-667", "CLM-001", "IPN-60120", "IPN60120", "RG-667", "RO-3300074", "RO3300074", "Sohonos", "Palovarotene"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Retinoic acid receptor gamma", "xref": ["CHEMBL.TARGET:CHEMBL2003"], "id": "UniProtKB:P13631", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1716091", "category": ["biolink:ChemicalEntity"], "name": "SDX-101", "xref": ["InChIKey:NNYBQONXHNTVIJ-QGZVFWFLSA-N", "SMILES:CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3"], "synonym": ["(-)-(r)-etodolac", "(-)-etodolac", "Etodolac, (-)-", "Etodolac, (r)-", "R-etodolac", "Sdx-101", "KS-1056", "RAK-593", "SDX-101"], "chembl_natural_product": true}
{"name": "Retinoic acid receptor RXR-alpha", "xref": ["CHEMBL.TARGET:CHEMBL2061"], "id": "UniProtKB:P19793", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471897", "category": ["biolink:ChemicalEntity"], "name": "MB07811", "xref": ["InChIKey:LGGPZDRLTDGYSQ-GYKKGXIBSA-N", "SMILES:Cc1cc(OCP2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1"], "synonym": ["Mb-07811", "Mb07811", "Vk-2809", "MB07811", "VK2809"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105107", "category": ["biolink:ChemicalEntity"], "name": "INECALCITOL", "xref": ["InChIKey:HHGRMHMXKPQNGF-WNSNRMDMSA-N", "SMILES:C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C"], "synonym": ["Inecalcitol", "Inecalcitol", "Tx-522", "TX-522"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL605525", "category": ["biolink:ChemicalEntity"], "name": "DP001", "xref": ["InChIKey:UHMPCVGLSKFXHR-NAQZCRMNSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]1O"], "synonym": ["Dp001", "2MD"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2104955", "category": ["biolink:ChemicalEntity"], "name": "BECOCALCIDIOL", "xref": ["InChIKey:QSLUXQQUPXBIHH-YHSKWIAJSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@@H](C)CC)CC[C@@H]23)C[C@H]1O"], "synonym": ["Becocalcidiol", "Becocalcidiol", "Qrx-101", "2MBisP", "DP-006", "DP006", "QRX 101", "QRX-101", "QRX101", "Becocalcidiol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105705", "category": ["biolink:ChemicalEntity"], "name": "LUNACALCIPOL", "xref": ["InChIKey:RFQHCLMGLJGZNV-UXXOMSPDSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)C([C@H](C)C/C=C/S(=O)(=O)C(C)(C)C)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "synonym": ["Lunacalcipol", "Lunacalcipol", "CTA-018", "CTA018", "Lunacalcipol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545094", "category": ["biolink:ChemicalEntity"], "name": "ELOCALCITOL", "xref": ["InChIKey:XDBOQJCMEXOPMU-BAHYQGKPSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)C([C@@H](C)C/C=C/C(O)(CC)CC)=CCC23)C[C@@H](O)C[C@@H]1O"], "synonym": ["Elocalcitol", "Bxl-628", "Ro-26-9228"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL565612", "category": ["biolink:ChemicalEntity"], "name": "SOTRASTAURIN", "xref": ["InChIKey:OAVGBZOFDPFGPJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1"], "synonym": ["Sotrastaurin", "Sotrastaurine", "Sotrastaurina", "Aeb-071", "Sotrastaurin", "AEB-071", "AEB071", "NVP-AEB071", "Sotrastaurin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL587723", "category": ["biolink:ChemicalEntity"], "name": "AEE-788", "xref": ["InChIKey:OONFNUWBHFSNBT-HXUWFJFHSA-N", "SMILES:CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1"], "synonym": ["Aee 788", "Aee-788", "AEE788", "GNF-PF-5343", "NVP-AEE-788", "NVP-AEE788"], "chembl_natural_product": true}
{"name": "Vascular endothelial growth factor receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1868"], "id": "UniProtKB:P17948", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545335", "category": ["biolink:ChemicalEntity"], "name": "AG-13958", "xref": ["InChIKey:JXSVVZKPEDIRTN-DHZHZOJOSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(Nc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2F)n(C)n1"], "synonym": ["Ag-13958", "AG 13958"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790100", "category": ["biolink:ChemicalEntity"], "name": "AKN-028", "xref": ["InChIKey:JLRIJKVMMZEKDF-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccncc2)nc1Nc1ccc2[nH]ccc2c1"], "synonym": ["Akn-028"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4303201", "category": ["biolink:ChemicalEntity"], "name": "CATEQUENTINIB", "xref": ["InChIKey:KSMZEXLVHXZPEF-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC1(N)CC1"], "synonym": ["Catequentinib", "Al-3818", "Anlotinib", "Catequentinib", "AL 3818", "AL-3818", "AL3818", "Catequentinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785909", "category": ["biolink:ChemicalEntity"], "name": "AMG-337", "xref": ["InChIKey:DWHXUGDWKAIASB-CQSZACIVSA-N", "SMILES:COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1"], "synonym": ["Amg-337", "AMG 337"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545311", "category": ["biolink:ChemicalEntity"], "name": "BRIGATINIB", "xref": ["InChIKey:AILRADAXUVEEIR-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"], "synonym": ["Brigatinib", "Brigatinib", "Brigatinib", "Brigatinib", "Brigatinib", "Brigatinib", "Ap-26113", "Brigatinib", "AP-26113", "AP26113", "Alunbrig", "Brigatinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545065", "category": ["biolink:ChemicalEntity"], "name": "VEROSUDIL", "xref": ["InChIKey:VDYRZXYYQMMFJW-UHFFFAOYSA-N", "SMILES:CN(C)C(C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccsc1"], "synonym": ["Verosudil", "Ar-12286", "Verosudil", "AR-12286", "AR-12286 FREE BASE", "Verosudil"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103842", "category": ["biolink:ChemicalEntity"], "name": "VARLITINIB", "xref": ["InChIKey:UWXSAYUXVSFDBQ-CYBMUJFWSA-N", "SMILES:C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1"], "synonym": ["Varlitinib", "Varlitinib", "AR-00334543", "ARRY-334543", "ARRY-543", "ASLAN-001", "ASLAN001", "Varlitinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1088750", "category": ["biolink:ChemicalEntity"], "name": "ARRY-797", "xref": ["InChIKey:IFGWYHGYNVGVRB-UHFFFAOYSA-N", "SMILES:CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)NCCN(C)C)cc21"], "synonym": ["Arry-797", "ARRY-371797"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545213", "category": ["biolink:ChemicalEntity"], "name": "BENTAMAPIMOD", "xref": ["InChIKey:XCPPIJCBCWUBNT-UHFFFAOYSA-N", "SMILES:N#CC(c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1)c1nc2ccccc2s1"], "synonym": ["Bentamapimod", "As-602801", "Bentamapimod", "AS602801", "PGL-5001", "PGL5001"]}
{"id": "CHEMBL.TARGET:CHEMBL2096667", "category": ["biolink:ProteinFamily"], "name": "c-Jun N-terminal kinase, JNK"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107832", "category": ["biolink:ChemicalEntity"], "name": "PIMASERTIB", "xref": ["InChIKey:VIUAUNHCRHHYNE-JTQLQIEISA-N", "SMILES:O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F"], "synonym": ["Pimasertib", "As-703026", "Msc-1936369", "Pimasertib", "AS 703026", "AS-703026", "AS703026", "EMD 1036239", "EMD-1036239", "G-02443714", "MSC-1936369A", "MSC-1936369B", "MSC1936369A", "Msc1936369a; as703026; emd 1036239", "Pimasertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137308", "category": ["biolink:ChemicalEntity"], "name": "PEFICITINIB", "xref": ["InChIKey:DREIJXJRTLTGJC-ZLBJMMTISA-N", "SMILES:NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2CC3C[C@H]1C[C@@](O)(C3)C2"], "synonym": ["Peficitinib", "Peficitinib", "Asp-015k", "Peficitinib", "ASP-015K", "ASP015K", "JNJ-54781532", "Peficitinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL445813", "category": ["biolink:ChemicalEntity"], "name": "AT-7519", "xref": ["InChIKey:OVPNQJVDAFNBDN-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl"], "synonym": ["At-7519", "Cdki at7519", "AT 7519", "AT7519"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL495727", "category": ["biolink:ChemicalEntity"], "name": "AT-9283", "xref": ["InChIKey:LOLPPWBBNUVNQZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1"], "synonym": ["At 9283", "At-9283", "AT9283"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL283120", "category": ["biolink:ChemicalEntity"], "name": "AXL-1717", "xref": ["InChIKey:YJGVMLPVUAXIQN-HAEOHBJNSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC"], "synonym": ["Podophyllotoxin picropodophyllin", "Axl-1717", "Axl1717", "Picropodophyllin", "Picropodophyllotoxin", "NSC-36407"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1231124", "category": ["biolink:ChemicalEntity"], "name": "AZD-1480", "xref": ["InChIKey:PDOQBOJDRPLBQU-QMMMGPOBSA-N", "SMILES:Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1"], "synonym": ["Azd 1480", "Azd-1480", "AZD1480"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1976040", "category": ["biolink:ChemicalEntity"], "name": "ADAVOSERTIB", "xref": ["InChIKey:BKWJAKQVGHWELA-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"], "synonym": ["Adavosertib", "Adavosertib", "Azd-1775", "AZD 1775", "AZD-1775", "AZD1775", "MK-1775", "MK1775", "Adavosertib"], "chembl_natural_product": true}
{"name": "Wee1-like protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL5491"], "id": "UniProtKB:P30291", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3348846", "category": ["biolink:ChemicalEntity"], "name": "FEXAGRATINIB", "xref": ["InChIKey:VRQMAABPASPXMW-HDICACEKSA-N", "SMILES:COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)n[nH]2)cc(OC)c1"], "synonym": ["Fexagratinib", "Fexagratinib", "Fexagratinib", "Azd 4547", "Azd-4547", "Azd4547", "Fexagratinib", "ABSK-091", "ABSK091", "KB-74810"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3334567", "category": ["biolink:ChemicalEntity"], "name": "SAVOLITINIB", "xref": ["InChIKey:XYDNMOZJKOGZLS-NSHDSACASA-N", "SMILES:C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21"], "synonym": ["Savolitinib", "Azd-6094", "Savolitinib", "Volitinib", "AZD-6094", "AZD6094", "HMPL-504", "Savolitinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1614701", "category": ["biolink:ChemicalEntity"], "name": "SELUMETINIB", "xref": ["InChIKey:CYOHGALHFOKKQC-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21"], "synonym": ["Selumetinib", "Selumetinib", "Azd-6244", "Selumetinib", "ARRY-142886", "ARRY-886", "AZD-6244", "AZD6244", "Selumetinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2408045", "category": ["biolink:ChemicalEntity"], "name": "SAPITINIB", "xref": ["InChIKey:DFJSJLGUIXFDJP-UHFFFAOYSA-N", "SMILES:CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1"], "synonym": ["Sapitinib", "Azd-8931", "Sapitinib", "AZD-8931", "AZD8931"]}
{"name": "Receptor tyrosine-protein kinase erbB-3", "xref": ["CHEMBL.TARGET:CHEMBL5838"], "id": "UniProtKB:P21860", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426161", "category": ["biolink:ChemicalEntity"], "name": "AZM-475271", "xref": ["InChIKey:WPOXAFXHRJYEIC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1"], "synonym": ["Azm 475271", "Azm-475271", "M-475271"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442620", "category": ["biolink:ChemicalEntity"], "name": "RONICICLIB", "xref": ["InChIKey:UELYDGOOJPRWGF-MFOHZAOFSA-N", "SMILES:C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F"], "synonym": ["Roniciclib", "Bay 1000394", "Bay-1000394", "Roniciclib", "BAY10-00394", "BAY1000394"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2079588", "category": ["biolink:ChemicalEntity"], "name": "TELATINIB", "xref": ["InChIKey:QFCXANHHBCGMAS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1"], "synonym": ["Telatinib", "Bay-57-9352", "Telatinib", "BAY 57-9352", "BAY-579352"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236682", "category": ["biolink:ChemicalEntity"], "name": "REFAMETINIB", "xref": ["InChIKey:RDSACQWTXKSHJT-NSHDSACASA-N", "SMILES:COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1"], "synonym": ["Refametinib", "Bay-86-9766", "Rdea119", "Refametinib", "BAY 869766", "BAY 8697661", "BAY-86-9766", "BAY-869766", "BAY-8697661", "BAY86-9766", "BAY869766", "BAY8697661", "RDEA 119", "RDEA-119"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1879463", "category": ["biolink:ChemicalEntity"], "name": "DACTOLISIB", "xref": ["InChIKey:JOGKUKXHTYWRGZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21"], "synonym": ["Dactolisib", "Bez-235", "Dactolisib", "Nvp-bez-235", "Rtb101", "BEZ-235", "BEZ235", "NSC-751249", "NVP-BEZ235", "NVP-BEZ235-NX", "RTB-101", "RTB101", "Dactolisib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545096", "category": ["biolink:ChemicalEntity"], "name": "BGT-226", "xref": ["InChIKey:YUXMAKUNSXIEKN-BTJKTKAUSA-N", "SMILES:COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Bgt-226", "BGT226", "NVP-BGT-226", "NVP-BGT226"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513909", "category": ["biolink:ChemicalEntity"], "name": "BI-2536", "xref": ["InChIKey:XQVVPGYIWAGRNI-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1"], "synonym": ["Bi 2536", "Bi-2536", "BI2536"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545395", "category": ["biolink:ChemicalEntity"], "name": "BI-811283", "synonym": ["Bi-811283"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017974", "category": ["biolink:ChemicalEntity"], "name": "BUPARLISIB", "xref": ["InChIKey:CWHUFRVAEUJCEF-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1"], "synonym": ["Buparlisib", "Bkm-120", "Buparlisib", "BKM-120", "BKM-120NX", "BKM120-NX", "NVP-BKM-120", "NVP-BKM120", "Buparlisib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230065", "category": ["biolink:ChemicalEntity"], "name": "BMS-582949", "xref": ["InChIKey:GDTQLZHHDRRBEB-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C"], "synonym": ["Bms 582949", "Bms-582949", "Ps-540446", "PS-540446"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545396", "category": ["biolink:ChemicalEntity"], "name": "BMS-690514", "xref": ["InChIKey:CSGQVNMSRKWUSH-IAGOWNOFSA-N", "SMILES:COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1"], "synonym": ["Bms 6690514", "Bms 690514", "Bms-690514"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL575448", "category": ["biolink:ChemicalEntity"], "name": "BMS-754807", "xref": ["InChIKey:LQVXSNNAFNGRAH-QHCPKHFHSA-N", "SMILES:C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1"], "synonym": ["Bms 754807", "Bms-754807", "BMS-754807-01", "BMS754807"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460702", "category": ["biolink:ChemicalEntity"], "name": "BMS-777607", "xref": ["InChIKey:VNBRGSXVFBYQNN-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1"], "synonym": ["Bms-777607", "ASLAN-002", "ASLAN002", "BMS-777607"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544944", "category": ["biolink:ChemicalEntity"], "name": "BMS-863233", "xref": ["InChIKey:JJWLXRKVUJDJKG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(C2CCCN2)nc2c1oc1ccc(Cl)cc12"], "synonym": ["Bms-863233", "XL-413"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545215", "category": ["biolink:ChemicalEntity"], "name": "BMS-911543", "xref": ["InChIKey:JCINBYQJBYJGDM-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21"], "synonym": ["Bms-911543", "JAK2 INHIBITOR BMS-911543"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3590106", "category": ["biolink:ChemicalEntity"], "name": "ULIXERTINIB", "xref": ["InChIKey:KSERXGMCDHOLSS-LJQANCHMSA-N", "SMILES:CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1"], "synonym": ["Ulixertinib", "Bvd-523", "Ulixertinib", "BVD-ERK", "VRT-752271"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2396661", "category": ["biolink:ChemicalEntity"], "name": "ALPELISIB", "xref": ["InChIKey:STUWGJZDJHPWGZ-LBPRGKRZSA-N", "SMILES:Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"], "synonym": ["Alpelisib", "Alpelisib", "Alpelisib", "Alpelisib", "Alpelisib", "Alpelisib", "Byl-719", "Vijoice", "BYL719", "NVP-BYL719", "Piqray", "Vijoice", "Alpelisib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL338604", "category": ["biolink:ChemicalEntity"], "name": "C-1311", "xref": ["InChIKey:CUNDRHORZHFPLY-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23"], "synonym": ["C 1311", "C-1311", "Xls-002", "NSC-645809", "Symadex"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586404", "category": ["biolink:ChemicalEntity"], "name": "ONATASERTIB", "xref": ["InChIKey:UFKLYTOEMRFKAD-SHTZXODSSA-N", "SMILES:CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1"], "synonym": ["Onatasertib", "Cc-223", "Onatasertib", "ATG-008", "ATG008", "CC-223", "CC223", "Onatasertib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1614713", "category": ["biolink:ChemicalEntity"], "name": "CC-401", "xref": ["InChIKey:XDJCLCLBSGGNKS-UHFFFAOYSA-N", "SMILES:c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1"], "synonym": ["Cc-401"], "chembl_natural_product": true}
{"name": "Mitogen-activated protein kinase 8", "xref": ["CHEMBL.TARGET:CHEMBL2276"], "id": "UniProtKB:P45983", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase 9", "xref": ["CHEMBL.TARGET:CHEMBL4179"], "id": "UniProtKB:P45984", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase 10", "xref": ["CHEMBL.TARGET:CHEMBL2637"], "id": "UniProtKB:P53779", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950289", "category": ["biolink:ChemicalEntity"], "name": "TANZISERTIB", "xref": ["InChIKey:IBGLGMOPHJQDJB-IHRRRGAJSA-N", "SMILES:O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1"], "synonym": ["Tanzisertib", "Tanzisertib", "CC-930", "JNK 930", "JNK-930", "JNK930", "Tanzisertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105442", "category": ["biolink:ChemicalEntity"], "name": "CI-1040", "xref": ["InChIKey:GFMMXOIFOQCCGU-UHFFFAOYSA-N", "SMILES:O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl"], "synonym": ["Ci 1040", "Ci-1040", "PD-18435", "PD-184352"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107779", "category": ["biolink:ChemicalEntity"], "name": "SEMAPIMOD", "xref": ["InChIKey:PWDYHMBTPGXCSN-VCBMUGGBSA-N", "SMILES:C/C(=N\\NC(=N)N)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/NC(=N)N)cc(/C(C)=N/NC(=N)N)c2)cc(/C(C)=N/NC(=N)N)c1"], "synonym": ["Semapimod", "Cni-1493", "Semapimod", "Semapimod hydrochloride", "Semapimod tetrahydrochloride", "AXD-455", "CPSI-2364 FREE BASE"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545308", "category": ["biolink:ChemicalEntity"], "name": "ROCILETINIB", "xref": ["InChIKey:HUFOZJXAKZVRNJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1"], "synonym": ["Rociletinib", "Rociletinib", "Rociletinib", "AVL-301", "CNX-419", "CO-1686", "CS-1631", "Rociletinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105728", "category": ["biolink:ChemicalEntity"], "name": "CRENOLANIB", "xref": ["InChIKey:DYNHJHQFHQTFTP-UHFFFAOYSA-N", "SMILES:CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1"], "synonym": ["Crenolanib", "Crenolanib", "ARO 002", "ARO-002", "CP 868596", "CP-868,596", "CP-868596", "Crenolanib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297182", "category": ["biolink:ChemicalEntity"], "name": "PEGCANTRATINIB", "xref": ["InChIKey:SHWPFRVVBIKGAT-LYWBODIJSA-N", "SMILES:COCCN1C(=O)O[C@@]2(C[C@H]3O[C@]2(C)n2c4ccccc4c4c5c(c6c7ccccc7n3c6c42)C(=O)NC5)C1=O"], "synonym": ["Pegcantratinib", "Ct-327", "Pegcantratinib", "Sna-120", "CT-327", "CT327", "SNA-120", "Pegcantratinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230165", "category": ["biolink:ChemicalEntity"], "name": "SILMITASERTIB", "xref": ["InChIKey:MUOKSQABCJCOPU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12"], "synonym": ["Silmitasertib", "Cx-4945", "Cx-4945 free acid", "Silmitasertib", "CX 4945", "CX4945"]}
{"name": "Casein kinase II subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3629"], "id": "UniProtKB:P68400", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14762", "category": ["biolink:ChemicalEntity"], "name": "SELICICLIB", "xref": ["InChIKey:BTIHMVBBUGXLCJ-OAHLLOKOSA-N", "SMILES:CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1"], "synonym": ["Seliciclib", "Seliciclib", "Cyc-202", "R-roscovitine", "Roscovitin", "Roscovitine", "Seliciclib", "AL-39256", "CYC-202", "NSC-701554"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1738757", "category": ["biolink:ChemicalEntity"], "name": "REBASTINIB", "xref": ["InChIKey:WVXNSAVVKYZVOE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1"], "synonym": ["Rebastinib", "Dcc-2036", "Rebastinib", "DCC-2036 FREE BASE", "DP-1919", "Dp-1919", "Rebastinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545153", "category": ["biolink:ChemicalEntity"], "name": "DE-104", "synonym": ["De-104"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2220486", "category": ["biolink:ChemicalEntity"], "name": "LUCITANIB", "xref": ["InChIKey:CUDVHEFYRIWYQD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12"], "synonym": ["Lucitanib", "Al-3810", "Lucitanib", "AL-3810", "CO-3810", "E-3810", "S 80881", "S-80881", "S80881", "Lucitanib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1097999", "category": ["biolink:ChemicalEntity"], "name": "E-6201", "xref": ["InChIKey:MWUFVYLAWAXDHQ-HMNLTAHHSA-N", "SMILES:CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\\[C@@H](C)[C@H](C)OC2=O"], "synonym": ["E-6201", "E6201", "ER-806201"], "chembl_natural_product": true}
{"name": "Mitogen-activated protein kinase kinase kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3956"], "id": "UniProtKB:Q13233", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039525", "category": ["biolink:ChemicalEntity"], "name": "GOLVATINIB", "xref": ["InChIKey:UQRCJCNVNUFYDX-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1"], "synonym": ["Golvatinib", "E-7050", "Golvatinib", "E-7050", "E7050", "Golvatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607707", "category": ["biolink:ChemicalEntity"], "name": "PELITINIB", "xref": ["InChIKey:WVUNYSQLFKLYNI-AATRIKPKSA-N", "SMILES:CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C"], "synonym": ["Pelitinib", "Pelitinib", "EKB-569", "WAY-EKB-569", "Pelitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482968", "category": ["biolink:ChemicalEntity"], "name": "ENMD-2076", "xref": ["InChIKey:BLQYVHBZHAISJM-CMDGGOBGSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1"], "synonym": ["Enmd 2076", "Enmd-2076", "L-(+) TARTRATE SALT OF ENMD-981693"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545216", "category": ["biolink:ChemicalEntity"], "name": "FX-005", "synonym": ["Fx-005"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095028", "category": ["biolink:ChemicalEntity"], "name": "GLPG-0259", "xref": ["InChIKey:YBFGSJUVEOYPIS-OALUTQOASA-N", "SMILES:CC(C)N1C[C@@H]2C[C@H]1CN2c1ccc(Nc2ncc(-c3coc(C(N)=O)c3)n3ncnc23)cc1"], "synonym": ["Glpg-0259", "GLPG-0259", "GLPG0259"]}
{"name": "MAP kinase-activated protein kinase 5", "xref": ["CHEMBL.TARGET:CHEMBL3094"], "id": "UniProtKB:Q8IW41", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301607", "category": ["biolink:ChemicalEntity"], "name": "FILGOTINIB", "xref": ["InChIKey:RIJLVEAXPNLDTC-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1"], "synonym": ["Filgotinib", "Filgotinib", "Filgotinib", "Glpg-0634", "G-146034", "G146034", "GLPG0634", "GS-6034 FREE BASE", "Filgotinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303323", "category": ["biolink:ChemicalEntity"], "name": "ACALISIB", "xref": ["InChIKey:DOCINCLJNAXZQF-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1"], "synonym": ["Acalisib", "Acalisib", "Gs-9820", "CAL-120", "CAL120", "GS-9820", "GS9820"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265032", "category": ["biolink:ChemicalEntity"], "name": "ENTOSPLETINIB", "xref": ["InChIKey:XSMSNFMDVXXHGJ-UHFFFAOYSA-N", "SMILES:c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1"], "synonym": ["Entospletinib", "Entospletinib", "GS-9973", "SYK INHIBITOR GS-9973", "Entospletinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1230609", "category": ["biolink:ChemicalEntity"], "name": "FORETINIB", "xref": ["InChIKey:CXQHYVUVSFXTMY-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1"], "synonym": ["Foretinib", "Foretinib", "Gsk-1363089", "Gsk1363089", "EXEL-2880", "GSK-089", "GSK-1363089", "GSK-1363089G", "GSK089", "GSK1363089G", "XL-880", "XL880", "Foretinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2219422", "category": ["biolink:ChemicalEntity"], "name": "AFURESERTIB", "xref": ["InChIKey:AFJRDFWMXUECEW-LBPRGKRZSA-N", "SMILES:Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl"], "synonym": ["Afuresertib", "Afuresertib", "Gsk-2110183", "ASB-183", "ASB183", "GSK-2110183", "GSK-2110183C", "GSK2110183", "GSK2110183C", "Afuresertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137336", "category": ["biolink:ChemicalEntity"], "name": "UPROSERTIB", "xref": ["InChIKey:AXTAPYRUEKNRBA-JTQLQIEISA-N", "SMILES:Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl"], "synonym": ["Uprosertib", "Akt inhibitor gsk-2141795", "Akt inhibitor gsk2141795", "Gsk-2141795", "Uprosertib", "GSK-2141795C", "GSK2141795", "GSK2141795C", "Uprosertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301606", "category": ["biolink:ChemicalEntity"], "name": "SOLCITINIB", "xref": ["InChIKey:MPYACSQFXVMWNO-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1"], "synonym": ["Solcitinib", "Glpg-0778", "Gsk-2586184", "Solcitinib", "G-154578", "G154578", "GLPG-0778", "GLPG-0788", "GLPG0778", "GSK-2586184", "GSK-2586184A", "GSK2586184A", "Solcitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103838", "category": ["biolink:ChemicalEntity"], "name": "DILMAPIMOD", "xref": ["InChIKey:ORVNHOYNEHYKJG-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F"], "synonym": ["Dilmapimod", "Dilmapimod", "Gw-681323", "SB-681323", "SB681323", "Dilmapimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545154", "category": ["biolink:ChemicalEntity"], "name": "POZIOTINIB", "xref": ["InChIKey:LPFWVDIFUFFKJU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1"], "synonym": ["Poziotinib", "Hm-781-36b", "Poziotinib", "HM 781-36", "HM 781-36B", "HM-781-36", "HM-781-36B", "HM781-36B", "NOV-1201", "NOV-120101", "Poziotinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303214", "category": ["biolink:ChemicalEntity"], "name": "FRUQUINTINIB", "xref": ["InChIKey:BALLNEJQLSTPIO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12"], "synonym": ["Fruquintinib", "Fruquintinib", "Fruquintinib", "Fruquintinib", "Fruquintinib", "Hmpl-013", "HMPL-013", "HMPL013", "Fruzaqla", "Fruquintinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL206834", "category": ["biolink:ChemicalEntity"], "name": "BAFETINIB", "xref": ["InChIKey:ZGBAJMQHJDFTQJ-DEOSSOPVSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1"], "synonym": ["Bafetinib", "Bafetinib", "CNS-9", "INNO-406", "NS-187", "Bafetinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313972", "category": ["biolink:ChemicalEntity"], "name": "MASOPROCOL", "xref": ["InChIKey:HCZKYJDFEPMADG-TXEJJXNPSA-N", "SMILES:C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O)c1"], "synonym": ["Masoprocol", "Masoprocol", "Masoprocol", "Nordihydroguaiaretic acid", "Dihydronorguaiaretic acid", "Dinorguaiaretic acid, dihydro-", "Insm-18", "Insm18", "Masoprocol", "Meso-nordihydroguaiaretic acid", "Nordihydroguaiaretate", "Nordihydroguaiaretic acid", "Nordihydroguiaretic acid", "Oristar nhga", "CHX-100", "MESO-NDGA", "NSC-4291", "NSC-682984", "Actinex", "Masoprocol"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545155", "category": ["biolink:ChemicalEntity"], "name": "JI-101", "xref": ["InChIKey:ZXBFYBLSJMEBEP-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(N)c1"], "synonym": ["Angiogenesis inhibitor ji-101", "Ji-101", "CGI-1842", "JI-101"], "chembl_natural_product": true}
{"name": "Ephrin type-B receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL5147"], "id": "UniProtKB:P54760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107872", "category": ["biolink:ChemicalEntity"], "name": "DELCASERTIB", "synonym": ["Delcasertib", "Delcasertib", "Kai-9803", "BMS-875944", "KAI-9803", "Delcasertib"]}
{"name": "Protein kinase C delta type", "xref": ["CHEMBL.TARGET:CHEMBL2996"], "id": "UniProtKB:Q05655", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402567", "category": ["biolink:ChemicalEntity"], "name": "ITX-5061", "xref": ["InChIKey:ICIJBYYMEBOTQP-UHFFFAOYSA-N", "SMILES:COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O.Cl"], "synonym": ["Itx 5061", "Itx-5061", "Kc-706", "ITX 5061", "KC-706", "KC706"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283463", "category": ["biolink:ChemicalEntity"], "name": "KW-2450", "xref": ["InChIKey:SIJKXSMUXNJNQM-HRNDJLQDSA-N", "SMILES:Cc1ccc(S(=O)(=O)O)cc1.Cc1ccsc1C(=O)Nc1cc(CN2CCN(C(=O)CO)CC2)ccc1/C=C/c1n[nH]c2ccccc12"], "synonym": ["Kw-2450", "KW-2450"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571546", "category": ["biolink:ChemicalEntity"], "name": "TIRBANIBULIN", "xref": ["InChIKey:HUNGUWOZPQBXGX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1"], "synonym": ["Tirbanibulin", "Tirbanibulin", "Tirbanibulin", "Tirbanibulin", "Tirbanibuline", "Tirbanibulina", "Kx2-391", "Tirbanibulin", "KX-01", "KX-2-391", "KX-2391", "KX01", "KX2-391", "KX2391", "Klisyri", "Tirbanibulin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL362558", "category": ["biolink:ChemicalEntity"], "name": "LY-2090314", "xref": ["InChIKey:HRJWTAWVFDCTGO-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2"], "synonym": ["Ly 2090314", "Ly-2090314", "LY2090314"]}
{"name": "Glycogen synthase kinase-3 beta", "xref": ["CHEMBL.TARGET:CHEMBL262"], "id": "UniProtKB:P49841", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glycogen synthase kinase-3 alpha", "xref": ["CHEMBL.TARGET:CHEMBL2850"], "id": "UniProtKB:P49840", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364611", "category": ["biolink:ChemicalEntity"], "name": "GALUNISERTIB", "xref": ["InChIKey:IVRXNBXKWIJUQB-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1"], "synonym": ["Galunisertib", "Galunisertib", "Ly-2157299", "LY-2157299", "LY2157299", "Galunisertib"], "chembl_natural_product": true}
{"name": "TGF-beta receptor type-1", "xref": ["CHEMBL.TARGET:CHEMBL4439"], "id": "UniProtKB:P36897", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364626", "category": ["biolink:ChemicalEntity"], "name": "RALIMETINIB", "xref": ["InChIKey:XPPBBJCBDOEXDN-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21"], "synonym": ["Ralimetinib", "Ly-2228820", "Ralimetinib", "LSN-2322600 FREE BASE", "LSN2322600 FREE BASE", "LY-2228820", "LY2228820", "LY22288220", "Ralimetinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039517", "category": ["biolink:ChemicalEntity"], "name": "RABUSERTIB", "xref": ["InChIKey:SYYBDNPGDKKJDU-ZDUSSCGKSA-N", "SMILES:Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1"], "synonym": ["Rabusertib", "Ly-2603618", "Rabusertib", "IC-83", "LY-2603618", "LY2603618", "Rabusertib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107823", "category": ["biolink:ChemicalEntity"], "name": "GANDOTINIB", "xref": ["InChIKey:SQSZANZGUXWJEA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1"], "synonym": ["Gandotinib", "Gandotinib", "Ly-2784544", "Ly2784544", "LY-2784544", "LY2784544", "Gandotinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301610", "category": ["biolink:ChemicalEntity"], "name": "ABEMACICLIB", "xref": ["InChIKey:UZWDCWONPYILKI-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1"], "synonym": ["Abemaciclib", "Abemaciclib", "Abemaciclib", "Abemaciclib", "Abemaciclib", "Abemaciclib", "Abemaciclib", "Abemaciclib", "Ly-2835219", "LY-2835219", "LY2835219", "Verzenio", "Verzenios", "Abemaciclib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL572878", "category": ["biolink:ChemicalEntity"], "name": "TOZASERTIB", "xref": ["InChIKey:GCIKSSRWRFVXBI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1"], "synonym": ["Tozasertib", "Tozasertib", "MK-0457", "VX-680", "Tozasertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079175", "category": ["biolink:ChemicalEntity"], "name": "MK-2206", "xref": ["InChIKey:ULDXWLCXEDXJGE-UHFFFAOYSA-N", "SMILES:NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1"], "synonym": ["Mk-2206", "MK2206"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822792", "category": ["biolink:ChemicalEntity"], "name": "MK-2461", "xref": ["InChIKey:JGEBLDKNWBUGRZ-HXUWFJFHSA-N", "SMILES:CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1"], "synonym": ["Mk-2461"]}
{"id": "CHEMBL.COMPOUND:CHEMBL124660", "category": ["biolink:ChemicalEntity"], "name": "TANDUTINIB", "xref": ["InChIKey:UXXQOJXBIDBUAC-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1"], "synonym": ["Tandutinib", "Mln-0518", "Tandutinib", "CT 53518", "CT-53518", "CT53518", "MLN-518", "NSC-759851", "Tandutinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103851", "category": ["biolink:ChemicalEntity"], "name": "AMUVATINIB", "xref": ["InChIKey:FOFDIMHVKGYHRU-UHFFFAOYSA-N", "SMILES:S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1"], "synonym": ["Amuvatinib", "Amuvatinib", "HPK 56", "HPK-56", "HPK56", "MP 470", "MP-470", "MP470", "Amuvatinib"], "chembl_natural_product": true}
{"name": "Platelet-derived growth factor receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL2007"], "id": "UniProtKB:P16234", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545157", "category": ["biolink:ChemicalEntity"], "name": "TIDEGLUSIB", "xref": ["InChIKey:PMJIHLSCWIDGMD-UHFFFAOYSA-N", "SMILES:O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1"], "synonym": ["Tideglusib", "Np-031112", "Tideglusib", "NP-031112", "NP-12", "NP031112", "Zentylor nypta"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4303389", "category": ["biolink:ChemicalEntity"], "name": "NS-018", "xref": ["InChIKey:UQTPDWDAYHAZNT-AWEZNQCLSA-N", "SMILES:C[C@H](Nc1cc(-c2cnn(C)c2)cc(Nc2cnccn2)n1)c1ccc(F)cc1"], "synonym": ["Ilginatinib", "Ns-018", "NS-018"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3120215", "category": ["biolink:ChemicalEntity"], "name": "OSI-027", "xref": ["InChIKey:JROFGZPOBKIAEW-HAQNSBGRSA-N", "SMILES:COc1cccc2cc(-c3nc([C@H]4CC[C@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12"], "synonym": ["Osi 027", "Osi-027", "AEVI-006", "ASP 7486", "ASP-7486", "ASP7486", "CERC 006", "CERC-006", "CERC006", "OSI027"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL253969", "category": ["biolink:ChemicalEntity"], "name": "OSI-632", "xref": ["InChIKey:HXHAJRMTJXHJJZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1"], "synonym": ["Cp-547,632", "Osi-632", "CP-547,632", "CP-547632", "CP-632", "OSI-632", "PAN 90806", "PAN-90806", "PAN90806"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905910", "category": ["biolink:ChemicalEntity"], "name": "VORUCICLIB", "xref": ["InChIKey:MRPGRAKIAJJGMM-OCCSQVGLSA-N", "SMILES:CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(C(F)(F)F)cc4Cl)oc23)[C@@H]1CO"], "synonym": ["Voruciclib", "P1446a-05", "Voruciclib", "P-1446"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545283", "category": ["biolink:ChemicalEntity"], "name": "RIVICICLIB", "xref": ["InChIKey:QLUYMIVVAYRECT-UHFFFAOYSA-N", "SMILES:CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C1CO"], "synonym": ["Riviciclib", "P 276-00 free base", "P-276-00 free base", "P276-00"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507361", "category": ["biolink:ChemicalEntity"], "name": "MIRDAMETINIB", "xref": ["InChIKey:SUDAHWBOROXANE-SECBINFHSA-N", "SMILES:O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"], "synonym": ["Mirdametinib", "Mirdametinib", "Mirdametinib", "Pd 0325901", "Pd 03525901", "Pd 901", "Pd-0325901", "PD-0325901", "Mirdametinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109295", "category": ["biolink:ChemicalEntity"], "name": "ASCRINVACUMAB", "synonym": ["Ascrinvacumab", "Ascrinvacumab", "Gt90001", "Pf03446962", "GT-90001", "PF-03446962", "Ascrinvacumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234354", "category": ["biolink:ChemicalEntity"], "name": "PF-04691502", "xref": ["InChIKey:XDLYKKIQACFMJG-WKILWMFISA-N", "SMILES:COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1"], "synonym": ["Pf-04691502", "PF-4691502"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL592445", "category": ["biolink:ChemicalEntity"], "name": "GEDATOLISIB", "xref": ["InChIKey:DWZAEMINVBZMHQ-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1"], "synonym": ["Gedatolisib", "Gedatolisib", "PF-05212384", "PKI-587", "Gedatolisib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545398", "category": ["biolink:ChemicalEntity"], "name": "PG-760564", "synonym": ["Pg-760564"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088751", "category": ["biolink:ChemicalEntity"], "name": "PH-797804", "xref": ["InChIKey:KCAJXIDMCNPGHZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1"], "synonym": ["Ph-797804", "PHA-797804"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402548", "category": ["biolink:ChemicalEntity"], "name": "DANUSERTIB", "xref": ["InChIKey:XKFTZKGMDDZMJI-HSZRJFAPSA-N", "SMILES:CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1"], "synonym": ["Danusertib", "Danusertib", "Pha-739358"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL564829", "category": ["biolink:ChemicalEntity"], "name": "MILCICLIB", "xref": ["InChIKey:RXZMYLDMFYNEIM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2"], "synonym": ["Milciclib", "Milciclib", "Pha-848125", "PHA 848125", "PHA-848125"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813873", "category": ["biolink:ChemicalEntity"], "name": "PEXIDARTINIB", "xref": ["InChIKey:JGWRKYUXBBNENE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1"], "synonym": ["Pexidartinib", "Pexidartinib", "Pexidartinib", "Pexidartinib", "Plx-3397", "CML-261", "PLX-3397", "PLX3397", "Pexidartinib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL411907", "category": ["biolink:ChemicalEntity"], "name": "SONOLISIB", "xref": ["InChIKey:QIUASFSNWYMDFS-NILGECQDSA-N", "SMILES:C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C"], "synonym": ["Sonolisib", "Px-866", "Sonolisib", "PX-866"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL515271", "category": ["biolink:ChemicalEntity"], "name": "R-112", "xref": ["InChIKey:TVKGTSHBQZEFEE-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1"], "synonym": ["R-112", "R-921218", "R112"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090089", "category": ["biolink:ChemicalEntity"], "name": "PAMAPIMOD", "xref": ["InChIKey:JYYLVUFNAHSSFE-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21"], "synonym": ["Pamapimod", "R-1503", "R1503", "RO 4402257", "RO4402257", "Ro-4402257", "Pamapimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545159", "category": ["biolink:ChemicalEntity"], "name": "R-333", "synonym": ["R-333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170582", "category": ["biolink:ChemicalEntity"], "name": "R-343", "xref": ["InChIKey:MOXXQFNQDDSJHT-UHFFFAOYSA-N", "SMILES:CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(F)(F)O4)n2)c1"], "synonym": ["R-343", "R-940343", "R343", "R940343"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475251", "category": ["biolink:ChemicalEntity"], "name": "R-406", "xref": ["InChIKey:NHHQJBCNYHBUSI-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC"], "synonym": ["R-406", "R940406", "Tamatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558752", "category": ["biolink:ChemicalEntity"], "name": "RAF-265", "xref": ["InChIKey:YABJJWZLRMPFSI-UHFFFAOYSA-N", "SMILES:Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21"], "synonym": ["Raf 265", "Raf-265", "CHIR-265", "NVP-RAF265", "RAF265"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521851", "category": ["biolink:ChemicalEntity"], "name": "PICTILISIB", "xref": ["InChIKey:LHNIIDJUOCFXAP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1"], "synonym": ["Pictilisib", "Pictilisib", "Pictilisib", "Pictrelisib", "Rg-7321", "CDC-0941", "GDC 0941", "GDC-0941", "Pictilisib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1922094", "category": ["biolink:ChemicalEntity"], "name": "APITOLISIB", "xref": ["InChIKey:YOVVNQKCSKSHKT-HNNXBMFYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12"], "synonym": ["Apitolisib", "Apitolisib", "Gne-390", "Rg-7422", "G-038390", "G-038390.1", "GDC-0980", "GDC-0980.1", "RG-7422", "RG7422", "Apitolisib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2177390", "category": ["biolink:ChemicalEntity"], "name": "IPATASERTIB", "xref": ["InChIKey:GRZXWCHAXNAUHY-NSISKUIASA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1"], "synonym": ["Ipatasertib", "Ipatasertib", "Rg-7440", "GDC-0068", "RG-7440", "RG7440", "Ipatasertib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2387080", "category": ["biolink:ChemicalEntity"], "name": "TASELISIB", "xref": ["InChIKey:BEUQXVWXFDOSAQ-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1"], "synonym": ["Taselisib", "Taselisib", "GDC-0032", "RG-7604", "Taselisib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544945", "category": ["biolink:ChemicalEntity"], "name": "SAR-113945", "synonym": ["Sar-113945"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360203", "category": ["biolink:ChemicalEntity"], "name": "PILARALISIB", "xref": ["InChIKey:QINPEPAQOBZPOF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1"], "synonym": ["Pilaralisib", "Pilaralisib", "Sar-245408", "SAR-245408", "SAR245408", "XL-147", "XL147", "Pilaralisib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545366", "category": ["biolink:ChemicalEntity"], "name": "VOXTALISIB", "xref": ["InChIKey:RGHYDLZMTYDBDT-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(-c2cc[nH]n2)cc2c(C)nc(N)nc21"], "synonym": ["Voxtalisib", "Voxtalisib", "SAR-245409", "SAR245409", "XL-765", "XL765", "Voxtalisib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545341", "category": ["biolink:ChemicalEntity"], "name": "SAR-407899", "xref": ["InChIKey:KMNVOGVCCZNVNU-UHFFFAOYSA-N", "SMILES:Cl.O=c1[nH]ccc2cc(OC3CCNCC3)ccc12"], "synonym": ["Sar-407899", "Sar-407899 hydrochloride", "SAR-407899", "SAR407899"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514201", "category": ["biolink:ChemicalEntity"], "name": "TALMAPIMOD", "xref": ["InChIKey:ZMELOYOKMZBMRB-DLBZAZTESA-N", "SMILES:C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl"], "synonym": ["Talmapimod", "Scio-469", "Talmapimod", "SCIO 469", "SCIO-469", "Talmapimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1278146", "category": ["biolink:ChemicalEntity"], "name": "FAMITINIB", "xref": ["InChIKey:GKEYKDOLBLYGRB-LGMDPLHJSA-N", "SMILES:CCN(CC)CCN1CCc2[nH]c(/C=C3\\C(=O)Nc4ccc(F)cc43)c(C)c2C1=O"], "synonym": ["Famitinib", "Famitinib", "Shr-1020", "SHR1020"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363648", "category": ["biolink:ChemicalEntity"], "name": "TAK-715", "xref": ["InChIKey:HEKAIDKUDLCBRU-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1"], "synonym": ["Tak-715", "TAK 715"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230011", "category": ["biolink:ChemicalEntity"], "name": "TG100-115", "xref": ["InChIKey:UJIAQDJKSXQLIT-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1"], "synonym": ["Tg100-115"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL403989", "category": ["biolink:ChemicalEntity"], "name": "TG100-801", "xref": ["InChIKey:JMGXJHWTVBGOKG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12"], "synonym": ["Tg100-801"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL574737", "category": ["biolink:ChemicalEntity"], "name": "UCN-01", "xref": ["InChIKey:PBCZSGKMGDDXIJ-KRUBCLEUSA-N", "SMILES:CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O"], "synonym": ["7-hydroxystaurosporine", "Ucn 01", "Ucn-01", "KRX-0601", "KW-2401", "NSC-638850", "UCN-01", "UCN-02"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL462018", "category": ["biolink:ChemicalEntity"], "name": "TRICIRIBINE PHOSPHATE", "xref": ["InChIKey:URLYINUFLXOMHP-HTVVRFAVSA-N", "SMILES:CN1N=C(N)c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c3ncnc1c23"], "synonym": ["Triciribine", "Triciribina", "Phosphate salt of tricyclic nucleoside", "Triciribine phosphate", "Vqd-002", "NSC-154020", "NSC-280594", "Triciribine phosphate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3137331", "category": ["biolink:ChemicalEntity"], "name": "DEFACTINIB", "xref": ["InChIKey:FWLMVFUGMHIOAA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1"], "synonym": ["Defactinib", "Defactinib", "Vs-6063", "PF-04554878", "VS-6063", "Defactinib"]}
{"name": "Protein-tyrosine kinase 2-beta", "xref": ["CHEMBL.TARGET:CHEMBL5469"], "id": "UniProtKB:Q14289", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039513", "category": ["biolink:ChemicalEntity"], "name": "DECERNOTINIB", "xref": ["InChIKey:ASUGUQWIHMTFJL-QGZVFWFLSA-N", "SMILES:CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F"], "synonym": ["Decernotinib", "Adelatinib", "Decernotinib", "VRT-831509", "VX-509", "Decernotinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090090", "category": ["biolink:ChemicalEntity"], "name": "VX-702", "xref": ["InChIKey:FYSRKRZDBHOFAY-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F"], "synonym": ["Vx-702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119385", "category": ["biolink:ChemicalEntity"], "name": "NEFLAMAPIMOD", "xref": ["InChIKey:VEPKQEUBKLEPRA-UHFFFAOYSA-N", "SMILES:O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl"], "synonym": ["Neflamapimod", "Neflamapimod", "Vx-745", "745", "VD-31", "VD-31,745", "VD-31745", "VRT-031745", "VX-745", "Neflamapimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545401", "category": ["biolink:ChemicalEntity"], "name": "X-82", "synonym": ["X-82"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545027", "category": ["biolink:ChemicalEntity"], "name": "XL-281", "xref": ["InChIKey:MMNNTJYFHUDSKL-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2cc(C3(O)c4ccccc4C(=O)N3c3cc(Cl)ccc3C)ccc2[nH]1"], "synonym": ["Bms-908662 free base", "Xl 281", "Xl-281", "BMS-908662", "EXEL-2819"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544983", "category": ["biolink:ChemicalEntity"], "name": "TESEVATINIB", "xref": ["InChIKey:HVXKQKFEHMGHSL-QKDCVEJESA-N", "SMILES:COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@@H]2CN(C)C[C@@H]2C1"], "synonym": ["Tesevatinib", "Tesevatinib", "Xl-647", "EXEL-7647", "KD-019", "KD-020", "KD019", "XL647", "Tesevatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545402", "category": ["biolink:ChemicalEntity"], "name": "XL-820", "synonym": ["Xl-820"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314391", "category": ["biolink:ChemicalEntity"], "name": "XL-999", "xref": ["InChIKey:DMQYDVBIPXAAJA-VHXPQNKSSA-N", "SMILES:CCN1CCC(Nc2ccc3c(c2)/C(=C(\\c2cccc(F)c2)c2nc(C)c[nH]2)C(=O)N3)CC1"], "synonym": ["Xl 999", "Xl-999", "XL-999"]}
{"id": "CHEMBL.COMPOUND:CHEMBL586702", "category": ["biolink:ChemicalEntity"], "name": "ZSTK-474", "xref": ["InChIKey:HGVNLRPZOWWDKD-UHFFFAOYSA-N", "SMILES:FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1"], "synonym": ["Zstk-474", "Zstk474", "TCMDC-137004"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1852688", "category": ["biolink:ChemicalEntity"], "name": "INFIGRATINIB", "xref": ["InChIKey:QADPYRIHXKWUSV-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1"], "synonym": ["Infigratinib", "Infigratinib", "Bgj-398", "Infigratinib", "BGJ-398", "BGJ398", "MVP-BGJ398", "NVP-BGJ398", "Infigratinib"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3402762", "category": ["biolink:ChemicalEntity"], "name": "TEPOTINIB", "xref": ["InChIKey:AHYMHWXQRWRBKT-UHFFFAOYSA-N", "SMILES:CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1"], "synonym": ["Tepotinib", "Tepotinib", "Emd-1214063", "Tepotinib", "EMD 1214063", "EMD-1214063", "EMD1214063", "MSC-2156119", "MSC-2156119J", "MSC2156119", "Tepotinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314409", "category": ["biolink:ChemicalEntity"], "name": "GSK-2269557", "xref": ["InChIKey:GECUEJGEJLAXQA-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1.Cl"], "synonym": ["Gsk-2269557", "Nemiralisib hydrochloride", "GSK-2269557", "GSK2269557"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3188267", "category": ["biolink:ChemicalEntity"], "name": "CAPMATINIB", "xref": ["InChIKey:LIOLIMKSCNQPLV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F"], "synonym": ["Capmatinib", "Capmatinib", "Capmatinib", "Incb-28060", "INC-280", "INC280", "INCB-28060", "INCB-28060 FREE BASE", "NVP-INC280", "NVP-INC280-NX", "NYP-INC280-NX", "Capmatinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545054", "category": ["biolink:ChemicalEntity"], "name": "INCB-40093", "synonym": ["Incb-40093", "INCB-040093"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297181", "category": ["biolink:ChemicalEntity"], "name": "SAMOTOLISIB", "xref": ["InChIKey:ACCFLVVUVBJNGT-AWEZNQCLSA-N", "SMILES:CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21"], "synonym": ["Samotolisib", "Ly-3023414", "Samotolisib", "LY 3023414", "LY-3023414", "LY3023414", "Samotolisib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103799", "category": ["biolink:ChemicalEntity"], "name": "COBIPROSTONE", "xref": ["InChIKey:SDDSJMXGJNWMJY-BRHAQHMBSA-N", "SMILES:CC[C@H](C)CC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1"], "synonym": ["Cobiprostone", "Cobiprostona", "Cobiprostone", "RU-8811", "SPI-8811", "Cobiprostone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105060", "category": ["biolink:ChemicalEntity"], "name": "DNK333", "xref": ["InChIKey:BHCJHYIMNHXLOM-WVDRJWPYSA-N", "SMILES:CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1"], "synonym": ["Dnk333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215661", "category": ["biolink:ChemicalEntity"], "name": "PRUVANSERIN", "xref": ["InChIKey:AQRLDDAFYYAIJP-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12"], "synonym": ["Pruvanserin", "Pruvanserine", "Pruvanserina", "Ly2422347", "Pruvanserin", "EMD 390920", "EMD-281014", "EMD-390920", "EMD390920", "LSN-2422347", "LSN2422347", "LY-2420586", "LY-2422347", "LY-2422347 FREE BASE", "LY2420586", "LY2422347", "Pruvanserin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1287935", "category": ["biolink:ChemicalEntity"], "name": "VERUCERFONT", "xref": ["InChIKey:VKHVAUKFLBBZFJ-SFHVURJKSA-N", "SMILES:CC[C@H](Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nc(C)no1"], "synonym": ["Verucerfont", "Verucerfont", "GSK-561,679", "GSK-561679", "GSK-561679A", "GSK561679", "GSK561679A", "NBI-77860", "Verucerfont"], "chembl_natural_product": true}
{"name": "Corticotropin-releasing factor receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1800"], "id": "UniProtKB:P34998", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631540", "category": ["biolink:ChemicalEntity"], "name": "GSK163090", "xref": ["InChIKey:ANGUXJDGJCHGOG-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1"], "synonym": ["Gsk163090", "GSK-163090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823681", "category": ["biolink:ChemicalEntity"], "name": "ETILEVODOPA", "xref": ["InChIKey:NULMGOSOSZBEQL-QMMMGPOBSA-N", "SMILES:CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1"], "synonym": ["Etilevodopa", "L-dopa ethyl ester", "TV-1203", "Etilevodopa"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1933349", "category": ["biolink:ChemicalEntity"], "name": "MK-0893", "xref": ["InChIKey:DNTVJEMGHBIUMW-IBGZPJMESA-N", "SMILES:COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1"], "synonym": ["Mk-0893", "Mk0893"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1940832", "category": ["biolink:ChemicalEntity"], "name": "MILVETEROL", "xref": ["InChIKey:BMKINZUHKYLSKI-DQEYMECFSA-N", "SMILES:O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O"], "synonym": ["Milveterol", "Gsk159797", "Milveterol", "GSK-159797", "GSK159797", "TD3327"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950651", "category": ["biolink:ChemicalEntity"], "name": "EVODENOSON", "xref": ["InChIKey:SQJXTUJMBYVDBB-RQXXJAGISA-N", "SMILES:COC(=O)N1CCC(CC#Cc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)[C@@H](O)[C@H]4O)c3n2)CC1"], "synonym": ["Evodenoson", "Atl313", "Evodenoson", "ATL-313", "ATL313", "DE-112", "Atl313, de-112", "Evodenoson"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2012520", "category": ["biolink:ChemicalEntity"], "name": "LY377604", "xref": ["InChIKey:RBSGUQYXRDKPAE-QFIPXVFZSA-N", "SMILES:CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12"], "synonym": ["Ly-377604", "Ly377604"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2037511", "category": ["biolink:ChemicalEntity"], "name": "EPELSIBAN", "xref": ["InChIKey:UWHCWRQFNKUYCG-QUZACWSFSA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C"], "synonym": ["Epelsiban", "Epelsiban", "Gsk557296", "GSK-557296", "GSK557296", "GSK557296B", "Epelsiban"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2043437", "category": ["biolink:ChemicalEntity"], "name": "GLASDEGIB", "xref": ["InChIKey:SFNSLLSYNZWZQG-VQIMIIECSA-N", "SMILES:CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1"], "synonym": ["Glasdegib", "Glasdegib", "Glasdegib", "Glasdegib", "PF-04449913", "PF-4449913", "Glasdegib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL208427", "category": ["biolink:ChemicalEntity"], "name": "SOLABEGRON", "xref": ["InChIKey:LLDXOPKUNJTIRF-QFIPXVFZSA-N", "SMILES:O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1"], "synonym": ["Solabegron", "Gw427353", "Solabegron"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2087337", "category": ["biolink:ChemicalEntity"], "name": "VELUSETRAG", "xref": ["InChIKey:HXLOHDZQBKCUCR-WOZUAGRISA-N", "SMILES:CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)cc2ccccc21"], "synonym": ["Velusetrag", "Velusetrag", "TD-5108", "Velusetrag"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2308782", "category": ["biolink:ChemicalEntity"], "name": "DAROTROPIUM BROMIDE", "xref": ["InChIKey:CWRNUVNMUYSOFQ-ABHLOGGPSA-M", "SMILES:C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-]"], "synonym": ["Darotropium bromide", "Bromure de darotropium", "Bromuro de darotropio", "Darotropium bromide", "GSK-233705", "GSK-233705B", "GSK233705", "GSK233705B", "Darotropium bromide"]}
{"id": "CHEMBL.TARGET:CHEMBL2094109", "category": ["biolink:ProteinFamily"], "name": "Muscarinic acetylcholine receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103828", "category": ["biolink:ChemicalEntity"], "name": "ELINOGREL", "xref": ["InChIKey:LGSDFTPAICUONK-UHFFFAOYSA-N", "SMILES:CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F"], "synonym": ["Elinogrel", "Elinogrel", "Elinogrel", "Prt060128", "PRT 060128", "PRT-060128", "Elinogrel"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103858", "category": ["biolink:ChemicalEntity"], "name": "NARONAPRIDE", "xref": ["InChIKey:VGDDOIZXGFJDRC-VJTSUQJLSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)C[C@@H]1OC"], "synonym": ["Naronapride", "Naronaprida", "Naronapride", "ATI-7505", "ATI7505", "Naronapride"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103862", "category": ["biolink:ChemicalEntity"], "name": "BAVISANT", "xref": ["InChIKey:BGBVSGSIXIIREO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1"], "synonym": ["Bavisant", "Bavisant", "JNJ-31001074", "Bavisant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103880", "category": ["biolink:ChemicalEntity"], "name": "CERLAPIRDINE", "xref": ["InChIKey:NXQGEDVQXVTCDA-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1"], "synonym": ["Cerlapirdine", "Cerlapirdina", "Cerlapirdine", "Sam-531", "PF-05212365", "SAM-531", "SAM-531 FREE BASE", "WAY-262,531", "WAY-262531", "Cerlapirdine"], "chembl_natural_product": true}
{"name": "5-hydroxytryptamine receptor 6", "xref": ["CHEMBL.TARGET:CHEMBL3371"], "id": "UniProtKB:P50406", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104986", "category": ["biolink:ChemicalEntity"], "name": "TEDATIOXETINE", "xref": ["InChIKey:CVASBKDYSQKLSO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccccc2C2CCNCC2)cc1"], "synonym": ["Tedatioxetine", "Tedatioxetina", "Lu aa24530", "Tedatioxetine", "LU AA24530", "LU-AA24530", "LUAA24530", "Tedatioxetine"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL2094132", "category": ["biolink:MacromolecularComplex"], "name": "Serotonin 3 (5-HT3) receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2104991", "category": ["biolink:ChemicalEntity"], "name": "VABICASERIN HYDROCHLORIDE", "xref": ["InChIKey:PYPPENBDXAWXJC-QNTKWALQSA-N", "SMILES:Cl.c1cc2c3c(c1)[C@H]1CCC[C@H]1CN3CCNC2"], "synonym": ["SCA-136", "Vabicaserin hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104992", "category": ["biolink:ChemicalEntity"], "name": "VESTIPITANT MESYLATE", "xref": ["InChIKey:BHECXGHXWKHZOY-DXPOFMJKSA-N", "SMILES:CS(=O)(=O)O.Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"], "synonym": ["Vestipitant mesilate", "GW-597588B", "GW-597599B", "GW597588B", "GW597599B", "Vestipitant mesylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105667", "category": ["biolink:ChemicalEntity"], "name": "ORVEPITANT", "xref": ["InChIKey:XWNBGDJPEXZSQM-VZOBGQTKSA-N", "SMILES:Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"], "synonym": ["Orvepitant", "Gw-823296", "Gw823296", "Orvepitant", "GW-823296X", "GW823296X", "Orvepitant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989805", "category": ["biolink:ChemicalEntity"], "name": "ELZASONAN HYDROCHLORIDE", "xref": ["InChIKey:NMTRXBJYASHMND-UXTSPRGOSA-N", "SMILES:CN1CCN(c2ccccc2/C=C2\\SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1.Cl"], "synonym": ["Cp-448187-01", "Elzasonan hcl", "Elzasonan hydrochloride", "CP-448,187-01", "Elzasonan hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107371", "category": ["biolink:ChemicalEntity"], "name": "SELODENOSON", "xref": ["InChIKey:GWVQGVCXFNYGFP-PFHKOEEOSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O"], "synonym": ["Selodenoson", "Selodenoson", "DTI-0009", "GR-56072", "GR56072", "RG-14202", "Selodenoson"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989819", "category": ["biolink:ChemicalEntity"], "name": "NAXIFYLLINE", "xref": ["InChIKey:OQCJPFYWFGUHIN-GJKBLCTNSA-N", "SMILES:CCCn1c(=O)c2nc([C@H]3C[C@H]4C[C@@H]3[C@@H]3O[C@H]43)[nH]c2n(CCC)c1=O"], "synonym": ["Naxifylline", "Naxifilina", "BG-9719", "BG9719", "CVT-124", "Naxifylline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107826", "category": ["biolink:ChemicalEntity"], "name": "VIBEGRON", "xref": ["InChIKey:DJXRIQMCROIRCZ-XOEOCAAJSA-N", "SMILES:O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2nccc(=O)n21"], "synonym": ["Vibegron", "Vibegron", "Vibegron", "Vibegron", "Mk4618", "Vibegron", "KRP-114V", "Gemtesa", "Obgemsa", "Vibegron"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2104864", "category": ["biolink:ChemicalEntity"], "name": "APLINDORE FUMARATE", "xref": ["InChIKey:GELJVTSEGKGLDF-QDSMGTAFSA-N", "SMILES:O=C(O)/C=C/C(=O)O.O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CO3)N1"], "synonym": ["Palindore", "Palindore fumarate", "DAB-452", "Aplindore fumarate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110727", "category": ["biolink:ChemicalEntity"], "name": "CENICRIVIROC", "xref": ["InChIKey:PNDKCRDVVKJPKG-WHERJAGFSA-N", "SMILES:CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1"], "synonym": ["Cenicriviroc", "Cenicriviroc", "TAK-652", "TBR-652", "Cenicriviroc"], "chembl_natural_product": true}
{"name": "C-C chemokine receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL4015"], "id": "UniProtKB:P41597", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2142592", "category": ["biolink:ChemicalEntity"], "name": "TALADEGIB", "xref": ["InChIKey:SZBGQDXLNMELTB-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1"], "synonym": ["Taladegib", "Taladegib", "LY-2940680", "LY2940680", "Taladegib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151197", "category": ["biolink:ChemicalEntity"], "name": "PF-03654746", "xref": ["InChIKey:SXMBKHYDZOCBMT-PPUGGXLSSA-N", "SMILES:CCNC(=O)[C@H]1C[C@@](F)(c2ccc(CN3CCCC3)c(F)c2)C1"], "synonym": ["Pf-03654746", "PF 03654746"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103864", "category": ["biolink:ChemicalEntity"], "name": "NAVARIXIN", "xref": ["InChIKey:AFTCWZSEWTXWTL-BTQNPOSSSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1.O"], "synonym": ["Navarixin", "Navarixin", "Navarixin monohydrate", "MK-7123 MONOHYDRATE", "PS-291822", "PS291822", "SCH 527123", "SCH-527123 MONOHYDRATE", "Navarixin"]}
{"name": "C-X-C chemokine receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL4029"], "id": "UniProtKB:P25024", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178422", "category": ["biolink:ChemicalEntity"], "name": "RIMEGEPANT", "xref": ["InChIKey:KRNAOFGYEFKHPB-ANJVHQHFSA-N", "SMILES:N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F"], "synonym": ["Rimegepant", "Rimegepant", "Bhv-3000", "Rimegepant", "BMS-927711", "Rimegepant"], "chembl_availability_type": "prescription only"}
{"name": "Calcitonin gene-related peptide type 1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL3798"], "id": "UniProtKB:Q16602", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178579", "category": ["biolink:ChemicalEntity"], "name": "ELUBRIXIN", "xref": ["InChIKey:YQYFEGTYCUQBEI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl"], "synonym": ["Elubrixin", "Elubrixine", "Elubrixina", "Elubrixin", "Sb-656933", "SB-656933", "SB-656933-AAF", "SB656933", "Elubrixin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206292", "category": ["biolink:ChemicalEntity"], "name": "PF-03654764", "xref": ["InChIKey:DJRDLCHHQYHQQK-UKIBZPOASA-N", "SMILES:CC(C)CNC(=O)[C@H]1C[C@@](F)(c2ccc(CN3CCCC3)c(F)c2)C1"], "synonym": ["Pf-03654764"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364619", "category": ["biolink:ChemicalEntity"], "name": "METHYLSAMIDORPHAN", "xref": ["InChIKey:ATCVVCBJNHXIEX-ZAHKBLQYSA-O", "SMILES:C[N@+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13"], "synonym": ["Methylsamidorphan", "Methylsamidorphan cation", "Methylsamidorphan ion", "Rdc-1036", "ALKS 37", "ALKS-37 CATION", "ALKS37", "RDC-1036 CATION", "RDC-1036-00", "RDC-103600", "RDC-103603", "Methylsamidorphan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364638", "category": ["biolink:ChemicalEntity"], "name": "UBROGEPANT", "xref": ["InChIKey:DDOOFTLHJSMHLN-ZQHRPCGSSA-N", "SMILES:C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F"], "synonym": ["Ubrogepant", "Ubrogepant", "Ubrogepant", "Ubrogepant", "Ubrogepant anhydrous", "MK-1602", "Ubrelvy", "Ubrogepant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL291657", "category": ["biolink:ChemicalEntity"], "name": "CRINECERFONT", "xref": ["InChIKey:IEAKXXNRGSLYTQ-DEOSSOPVSA-N", "SMILES:C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1"], "synonym": ["Crinecerfont", "Crinecerfont", "Nbi-74788", "Ssr 125543", "Ssr-125543", "Ssr125543", "06-RORI", "NBI-74788", "SSR125543", "Crenessity", "Crinecerfont"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039518", "category": ["biolink:ChemicalEntity"], "name": "BATEFENTEROL", "xref": ["InChIKey:URWYQGVSPQJGGB-DHUJRADRSA-N", "SMILES:COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"], "synonym": ["Batefenterol", "Batefenterol", "GSK-961081", "GSK-961081A", "GSK961081", "GSK961081A", "TD-5959", "Batefenterol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3039520", "category": ["biolink:ChemicalEntity"], "name": "LASMIDITAN", "xref": ["InChIKey:XEDHVZKDSYZQBF-UHFFFAOYSA-N", "SMILES:CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1"], "synonym": ["Lasmiditan", "Lasmiditan", "Lasmiditan", "COL-144", "LY573144", "Lasmiditan"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039530", "category": ["biolink:ChemicalEntity"], "name": "ABEDITEROL", "xref": ["InChIKey:SFYAXIFVXBKRPK-QFIPXVFZSA-N", "SMILES:O=c1ccc2c([C@@H](O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2[nH]1"], "synonym": ["Abediterol", "Abediterol", "LAS-100977", "LAS100977", "Abediterol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039531", "category": ["biolink:ChemicalEntity"], "name": "DANIRIXIN", "xref": ["InChIKey:NGYNBSHYFOFVLS-LBPRGKRZSA-N", "SMILES:Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O"], "synonym": ["Danirixin", "Danirixine", "Danirixina", "Danirixin", "Gsk1325756", "GSK-1325756B", "GSK1325756", "GSK1325756B", "Danirixin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087515", "category": ["biolink:ChemicalEntity"], "name": "MAVOGLURANT", "xref": ["InChIKey:ZFPZEYHRWGMJCV-ZHALLVOQSA-N", "SMILES:COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1"], "synonym": ["Mavoglurant", "Mavoglurant", "AFQ-056", "AFQ056", "Mavoglurant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3092650", "category": ["biolink:ChemicalEntity"], "name": "GSK239512", "xref": ["InChIKey:YFRBKEVUUCQYOW-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1"], "synonym": ["Gsk-239512", "Gsk239512", "GSK-239512A", "GSK239512"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137313", "category": ["biolink:ChemicalEntity"], "name": "AXELOPRAN", "xref": ["InChIKey:ATLYLVPZNWDJBW-KIHHCIJBSA-N", "SMILES:NC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1"], "synonym": ["Axelopran", "Axelopran", "TD-1211", "Axelopran"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3301593", "category": ["biolink:ChemicalEntity"], "name": "DECOGLURANT", "xref": ["InChIKey:DMJHZVARRXJSEG-UHFFFAOYSA-N", "SMILES:Nc1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1"], "synonym": ["Decoglurant", "Decoglurant", "Rg1578", "RO-4995819", "RO4995819", "Decoglurant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301604", "category": ["biolink:ChemicalEntity"], "name": "RALINEPAG", "xref": ["InChIKey:NPDKXVKJRHPDQT-IYARVYRRSA-N", "SMILES:O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1"], "synonym": ["Ralinepag", "Ralinepag", "APD-811", "APD811", "Ralinepag"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3301626", "category": ["biolink:ChemicalEntity"], "name": "BASIMGLURANT", "xref": ["InChIKey:UPZWINBEAHDTLA-UHFFFAOYSA-N", "SMILES:Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1"], "synonym": ["Basimglurant", "Basimglurant", "Rg7090", "NOE-101", "RG-7090", "RO-4917523", "RO4917523", "RO4917523-000", "RO4917523-009 SULPHATE", "Basimglurant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392149", "category": ["biolink:ChemicalEntity"], "name": "TECADENOSON", "xref": ["InChIKey:OESBDSFYJMDRJY-BAYCTPFLSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O"], "synonym": ["Tecadenoson", "Tecadenoson", "Tecadenoson", "CVT-510", "Tecadenoson"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL412262", "category": ["biolink:ChemicalEntity"], "name": "IBIPINABANT", "xref": ["InChIKey:AXJQVVLKUYCICH-OAQYLSRUSA-N", "SMILES:CN/C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"], "synonym": ["Ibipinabant", "Ibipinabant", "Slv319", "BMS-646256", "SLV-319", "Ibipinabant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL426084", "category": ["biolink:ChemicalEntity"], "name": "SAMIDORPHAN", "xref": ["InChIKey:RYIDHLJADOKWFM-MAODMQOUSA-N", "SMILES:NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3"], "synonym": ["Samidorphan", "Samidorfano", "Alks-33", "Samidorphan", "ALKS 33", "ALKS-33", "RDC-0313", "RDC-0313-00", "SAMIDORPHAN COMPONENT OF ALKS-5461", "Samidorphan"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL429736", "category": ["biolink:ChemicalEntity"], "name": "RETOSIBAN", "xref": ["InChIKey:PLVGDGRBPMVYPB-FDUHJNRSSA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1"], "synonym": ["Retosiban", "Retosiban", "GSK-221149", "GSK-221149A", "GSK221149", "GSK221149A", "Retosiban"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL447664", "category": ["biolink:ChemicalEntity"], "name": "VIPADENANT", "xref": ["InChIKey:HQSBCDPYXDGTCL-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N"], "synonym": ["Vipadenant", "Biib014", "Vipadenant", "BIIB-014", "BIIB014", "CEB-4520", "V-2006", "V2006", "VER-11135", "VER-A-00-11", "VER-A-00049", "VER-A00-11", "VER-A00049", "VER-ADO-49", "Vipadenant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL447955", "category": ["biolink:ChemicalEntity"], "name": "SERLOPITANT", "xref": ["InChIKey:FLNYCRJBCNNHRH-OIYLJQICSA-N", "SMILES:C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"], "synonym": ["Serlopitant", "Serlopitant", "Vpd-737", "MK-0594", "VPD-737", "Serlopitant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476323", "category": ["biolink:ChemicalEntity"], "name": "MK-0249", "xref": ["InChIKey:DDDZBLNULGDPGA-UHFFFAOYSA-N", "SMILES:Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1"], "synonym": ["Mk-0249", "MK0249"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489095", "category": ["biolink:ChemicalEntity"], "name": "CAMICINAL", "xref": ["InChIKey:RZKDEGZIFSJVNA-IBGZPJMESA-N", "SMILES:C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1"], "synonym": ["Camicinal", "Camicinal", "Gsk962040", "GSK-962040", "GSK-962040B", "GSK962040", "GSK962040B", "Camicinal"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514270", "category": ["biolink:ChemicalEntity"], "name": "EMICERFONT", "xref": ["InChIKey:JFHJGXQFESYQGY-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCc3c(-n4ccc(N5CCNC5=O)n4)cc(C)nc32)c(C)c1"], "synonym": ["Emicerfont", "Emicerfont", "Gw876008", "GW-876008", "GW-876008X", "GW876008", "GW876008X", "Emicerfont"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517140", "category": ["biolink:ChemicalEntity"], "name": "GSK189254", "xref": ["InChIKey:WROHEWWOCPRMIA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1"], "synonym": ["Gsk189254", "GSK-189254"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538867", "category": ["biolink:ChemicalEntity"], "name": "PATIDEGIB", "xref": ["InChIKey:HZLFFNCLTRVYJG-WWGOJCOQSA-N", "SMILES:CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C"], "synonym": ["Patidegib", "Saridegib", "Patidegib", "Patidegib", "Ipi-926", "Patidegib", "Saridegib", "FIN-5", "IP-9", "IP9 FREE BASE", "IPI 926", "IPI-926", "IPI-926 FREE BASE", "Patidegib", "Saridegib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545029", "category": ["biolink:ChemicalEntity"], "name": "ABT-288", "xref": ["InChIKey:GNIRITULTPTAQW-UHFFFAOYSA-N", "SMILES:CN1CC2CCN(c3ccc(-c4ccc(-n5ncccc5=O)cc4)cc3)C2C1"], "synonym": ["Abt-288"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545403", "category": ["biolink:ChemicalEntity"], "name": "BMS-833923", "xref": ["InChIKey:KLRRGBHZCJLIEL-UHFFFAOYSA-N", "SMILES:CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1"], "synonym": ["Bms-833923", "BMS-833923", "BMS-833923 DIMESYLATE MONOHYDRATE", "BMS-833923 FREE BASE ANHYDROUS", "XL-139", "XL139"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989871", "category": ["biolink:ChemicalEntity"], "name": "AVACOPAN", "xref": ["InChIKey:PUKBOVABABRILL-YZNIXAGQSA-N", "SMILES:Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F"], "synonym": ["Avacopan", "Avacopan", "Avacopan", "Avacopan", "Avacopan", "Ccx168", "CCX-168", "CCX168", "Tavneos", "Avacopan"], "chembl_availability_type": "prescription only"}
{"name": "C5a anaphylatoxin chemotactic receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL2373"], "id": "UniProtKB:P21730", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178573", "category": ["biolink:ChemicalEntity"], "name": "ILACIRNON", "xref": ["InChIKey:LUUMLYXKTPBTQR-UHFFFAOYSA-N", "SMILES:Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1"], "synonym": ["Ilacirnon", "Ccx140", "Ilacirnon", "CCX-140", "CCX140", "CCX140-B", "Ilacirnon"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444976", "category": ["biolink:ChemicalEntity"], "name": "CCX354", "xref": ["InChIKey:ZIMLRKWQDLVPEK-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)ccc1Cl"], "synonym": ["Ccx-354", "Ccx354", "CCX354", "CCX354-C", "GSK-2941266", "GSK2941266"], "chembl_natural_product": true}
{"name": "C-C chemokine receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL2413"], "id": "UniProtKB:P32246", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545030", "category": ["biolink:ChemicalEntity"], "name": "JNJ-17216498", "synonym": ["Jnj-17216498"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297183", "category": ["biolink:ChemicalEntity"], "name": "BALOVAPTAN", "xref": ["InChIKey:GMPZPHGHNDMRKL-RZDIXWSQSA-N", "SMILES:CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"], "synonym": ["Balovaptan", "Balovaptan", "Rg7314", "RG-7314", "RG7314", "RO-5285119", "RO5285119", "Balovaptan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545031", "category": ["biolink:ChemicalEntity"], "name": "MK-1029", "synonym": ["Mk-1029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545343", "category": ["biolink:ChemicalEntity"], "name": "ADC3680", "synonym": ["Adc3680", "ADC3680B"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095029", "category": ["biolink:ChemicalEntity"], "name": "PF-04634817", "xref": ["InChIKey:MCRWZBYTLVCCJJ-DKALBXGISA-N", "SMILES:CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)(C(C)C)C1"], "synonym": ["Pf-04634817"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381848", "category": ["biolink:ChemicalEntity"], "name": "PF-06291874", "xref": ["InChIKey:IBDYYOQKQCCSDP-QFIPXVFZSA-N", "SMILES:CCC[C@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1"], "synonym": ["Pf-06291874", "PF-06291874"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329435", "category": ["biolink:ChemicalEntity"], "name": "PF-05212377", "xref": ["InChIKey:MAYQIFVKVAUMPD-UHFFFAOYSA-N", "SMILES:Cc1nc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccccc1"], "synonym": ["Pf-05212377", "PF-05212377", "PF-5212377", "SAM-760", "WYE-103760"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314392", "category": ["biolink:ChemicalEntity"], "name": "BAY1067197", "xref": ["InChIKey:WESNEIGKOAXSGX-VXKWHMMOSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](C)C(=O)OCCOc1ccc(-c2c(C#N)c(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N3CCCC3)c2C#N)cc1"], "synonym": ["Neladenoson bialanate", "Bialanate de neladenoson", "Bialanato de neladenoson", "Bay1067197", "Neladenoson bialanate", "Neladenoson dalanate", "BAY-10-67197", "BAY-1067197", "BAY10-67197", "BAY1067197"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545406", "category": ["biolink:ChemicalEntity"], "name": "LY2940094", "synonym": ["Ly2940094"]}
{"name": "Nociceptin receptor", "xref": ["CHEMBL.TARGET:CHEMBL2014"], "id": "UniProtKB:P41146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545100", "category": ["biolink:ChemicalEntity"], "name": "ASP7991", "synonym": ["Asp-7991", "Asp7991"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2137148", "category": ["biolink:ChemicalEntity"], "name": "MOCRAVIMOD", "xref": ["InChIKey:IINUNQPYJGJCJI-UHFFFAOYSA-N", "SMILES:NC(CO)(CO)CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl"], "synonym": ["Krp203", "Mocravimod", "KRP-203", "KRP203", "Mocravimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545220", "category": ["biolink:ChemicalEntity"], "name": "LY2590443", "synonym": ["Ly2590443"]}
{"name": "5-hydroxytryptamine receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL3155"], "id": "UniProtKB:P34969", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314393", "category": ["biolink:ChemicalEntity"], "name": "LY2624803", "xref": ["InChIKey:UEFWDVMEDFCHGW-UHFFFAOYSA-N", "SMILES:CC(C)(CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1)C(=O)O"], "synonym": ["Ly-2624803", "Ly2624803", "DB-7", "HY-10275", "HY10275 BASE", "LY2624803"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3139186", "category": ["biolink:ChemicalEntity"], "name": "LY2828360", "xref": ["InChIKey:UCMNDPDJRSEZPL-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CCOCC3)c2n1"], "synonym": ["Ly2828360", "LY-2828360", "LY2828360"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544984", "category": ["biolink:ChemicalEntity"], "name": "TRADIPITANT", "xref": ["InChIKey:CAVRKWRKTNINFF-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cl)c1cccnc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1"], "synonym": ["Tradipitant", "Ly686017", "Tradipitant", "LY-686017", "LY686017", "VLY-686", "Tradipitant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107328", "category": ["biolink:ChemicalEntity"], "name": "DASOLAMPANEL ETIBUTIL", "xref": ["InChIKey:HPBRMCFZIGUGTK-ZMMAXQRCSA-N", "SMILES:CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@@H](Oc3cccc(Cl)c3-c3nnn[nH]3)CC[C@H]2CN1"], "synonym": ["Dasolampanel etibutil", "Ly545694", "LY-545694", "Dasolampanel etibutil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1819077", "category": ["biolink:ChemicalEntity"], "name": "ONO-2333MS", "xref": ["InChIKey:LDIOUQIXNSSOGU-UHFFFAOYSA-N", "SMILES:CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4Cl)c(C)nn13)CCC2"], "synonym": ["Ono-2333ms"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297184", "category": ["biolink:ChemicalEntity"], "name": "CIFORADENANT", "xref": ["InChIKey:KURQKNMKCGYWRJ-HNNXBMFYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2nnn3Cc2cccc(CO[C@H]3CCOC3)n2)o1"], "synonym": ["Ciforadenant", "Ciforadenant", "V81444", "CPI-444", "V-81444", "V81444", "Ciforadenant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545289", "category": ["biolink:ChemicalEntity"], "name": "AZD2207", "xref": ["InChIKey:GNYWBETUYIZBHL-CQSZACIVSA-P", "SMILES:C[C@@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc[n+]2O)[n+]1O)c1cccc(Cl)c1"], "synonym": ["Azd 2207", "Azd2207", "AZD-2207"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1198855", "category": ["biolink:ChemicalEntity"], "name": "RONACALERET", "xref": ["InChIKey:FQJISUPNMFRIFZ-HXUWFJFHSA-N", "SMILES:CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)cc(F)c1F"], "synonym": ["Ronacaleret", "Ronacaleret", "Sb-751689"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1272307", "category": ["biolink:ChemicalEntity"], "name": "SB-649868", "xref": ["InChIKey:ZJXIUGNEAIHSBI-IBGZPJMESA-N", "SMILES:Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1"], "synonym": ["Sb-649868", "GSK649868", "SB-649868"]}
{"name": "Orexin/Hypocretin receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL5113"], "id": "UniProtKB:O43613", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Orexin receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL4792"], "id": "UniProtKB:O43614", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314394", "category": ["biolink:ChemicalEntity"], "name": "SB-773812", "xref": ["InChIKey:HIBWHHQXUSKNOV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1S(=O)(=O)c1ccc(OCc3ccc(Cl)cc3)cc1)CCN(C)CC2"], "synonym": ["Sb-773812", "GW773812", "SB-737050-A", "SB-773812"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225411", "category": ["biolink:ChemicalEntity"], "name": "GW842166X", "xref": ["InChIKey:TWQYWUXBZHPIIV-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F"], "synonym": ["Gw-842,166x", "Gw842166x", "GW 842166", "GW 842166X", "GW-842166", "GW-842166X", "GW842166", "GW842166X"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951914", "category": ["biolink:ChemicalEntity"], "name": "AZD5672", "xref": ["InChIKey:QOSMEMHKXNNIGG-SSEXGKCCSA-N", "SMILES:CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1"], "synonym": ["Azd 5672", "Azd-5672", "Azd5672", "AZD5672"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914489", "category": ["biolink:ChemicalEntity"], "name": "AZD1981", "xref": ["InChIKey:JWYIGNODXSRKGP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O"], "synonym": ["Azd 1981", "Azd-1981", "Azd1981"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2178570", "category": ["biolink:ChemicalEntity"], "name": "AZD4818", "xref": ["InChIKey:RKWKLTLIBREDHD-DEOSSOPVSA-N", "SMILES:CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1"], "synonym": ["Azd 4818", "Azd-4818", "Azd4818", "AZD4818"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545221", "category": ["biolink:ChemicalEntity"], "name": "AZD2423", "synonym": ["Azd2423"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545103", "category": ["biolink:ChemicalEntity"], "name": "AZD3199", "synonym": ["Azd3199"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545222", "category": ["biolink:ChemicalEntity"], "name": "AZD8683", "synonym": ["Azd8683"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545162", "category": ["biolink:ChemicalEntity"], "name": "PBF-680", "synonym": ["Pbf-680"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314395", "category": ["biolink:ChemicalEntity"], "name": "GW493838", "xref": ["InChIKey:ZQYJPMPXQLNTPQ-QCUYGVNKSA-N", "SMILES:CC(C)(C)c1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)o1"], "synonym": ["Gw-493838", "Gw493838", "GW-493838 X", "GW-493838X", "GW493838"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545407", "category": ["biolink:ChemicalEntity"], "name": "TRABODENOSON", "xref": ["InChIKey:AQLVRTWKJDTWQQ-SDBHATRESA-N", "SMILES:O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O"], "synonym": ["Trabodenoson", "Ino-8875", "Trabodenoson", "INNO-8875", "PJ-875", "Trabodenoson"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL431733", "category": ["biolink:ChemicalEntity"], "name": "NAMODENOSON", "xref": ["InChIKey:IPSYPUKKXMNCNQ-PFHKOEEOSA-N", "SMILES:CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O"], "synonym": ["Namodenoson", "Cf102", "Chloro-ib-meca", "Namodenoson", "CF-102", "CF102", "CI-IB-MECA", "CL-IB-MECA", "Namodenoson"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL244243", "category": ["biolink:ChemicalEntity"], "name": "SRX246", "xref": ["InChIKey:ZPKHVQNRKMCYGL-AFAPVMNMSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1"], "synonym": ["Srx246"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910936", "category": ["biolink:ChemicalEntity"], "name": "MK3207", "xref": ["InChIKey:AZAANWYREOQRFB-SETSBSEESA-N", "SMILES:O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21"], "synonym": ["Mk-3207", "Mk3207", "MK 3207"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207197", "category": ["biolink:ChemicalEntity"], "name": "OLCEGEPANT", "xref": ["InChIKey:ITIXDWVDFFXNEG-JHOUSYSJSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1"], "synonym": ["Olcegepant", "Bibn 4096 bs", "Bibn-4096bs", "Olcegepant", "BIBN 4096 BS", "BIBN-4096 BS", "BIBN-4096BS"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3137332", "category": ["biolink:ChemicalEntity"], "name": "FEVIPIPRANT", "xref": ["InChIKey:GFPPXZDRVCSVNR-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F"], "synonym": ["Fevipiprant", "Fevipiprant", "NVP-QAW039", "QAW-039", "QAW039", "Fevipiprant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442750", "category": ["biolink:ChemicalEntity"], "name": "QAV680", "xref": ["InChIKey:YOPFAMROKXHVCQ-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1"], "synonym": ["Nvp-qav-680", "Qav-680", "Qav-690 free acid", "Qav680", "NVP-QAV680", "QAV680", "QAV690 FREE ACID"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL560993", "category": ["biolink:ChemicalEntity"], "name": "TIMAPIPRANT", "xref": ["InChIKey:FATGTHLOZSXOBC-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O"], "synonym": ["Timapiprant", "Oc-459", "Oc000459", "Odc-9101", "Timapiprant", "CHF-6532", "OC-000459", "OC000459", "OC459"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545367", "category": ["biolink:ChemicalEntity"], "name": "LEMBOREXANT", "xref": ["InChIKey:MUGXRYIUWFITCP-PGRDOPGGSA-N", "SMILES:Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1"], "synonym": ["Lemborexant", "Lemborexant", "Lemborexant", "Lemborexant", "E-2006", "E2006", "Dayvigo", "Lemborexant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103829", "category": ["biolink:ChemicalEntity"], "name": "FAXELADOL", "xref": ["InChIKey:JIRYWFYYBBRJAN-ZFWWWQNUSA-N", "SMILES:CN(C)C[C@@H]1CCCC[C@H]1c1cccc(O)c1"], "synonym": ["Faxeladol", "Faxeladol", "Grt9906", "EM-906", "EM906", "GCR-9905", "GCR9905", "GRT-TA300", "GRTA-0009906", "GRTA-9906", "GRTA0009906", "GRTA9906", "Faxeladol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989680", "category": ["biolink:ChemicalEntity"], "name": "AXOMADOL", "xref": ["InChIKey:LQJLLAOISDVBJM-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CC(O)CCC2CN(C)C)c1"], "synonym": ["Axomadol", "Axomadol", "En3324", "BN-110 FREE BASE", "BN110 BASE", "BN110 FREE BASE", "GRT-151 FREE BASE", "GRT0151Y", "GRT151 Base", "GRT151 FREE BASE", "Axomadol"]}
{"name": "Delta-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL236"], "id": "UniProtKB:P41143", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539423", "category": ["biolink:ChemicalEntity"], "name": "SPARSENTAN", "xref": ["InChIKey:WRFHGDPIDHPWIQ-UHFFFAOYSA-N", "SMILES:CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1"], "synonym": ["Sparsentan", "Sparsentan", "Sparsentan", "Sparsentan", "Esparsentan", "Filspari", "Sparsentan", "PS-433540", "PS433540", "RE-021", "Filspari", "Sparsentan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Endothelin-1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL252"], "id": "UniProtKB:P25101", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301609", "category": ["biolink:ChemicalEntity"], "name": "TOREFORANT", "xref": ["InChIKey:FCRFVPZAXGJLPW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1"], "synonym": ["Toreforant", "Jnj-38518168", "Toreforant", "JNJ-38518168", "Toreforant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5314396", "category": ["biolink:ChemicalEntity"], "name": "UR-63325", "xref": ["InChIKey:QRBVUFXEMHNIDB-UHFFFAOYSA-N", "SMILES:CNC1CN(c2cc(N)nc(CC(C)C)n2)C1"], "synonym": ["Seliforant", "Seliforant", "Ur-63325", "UR-63325"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096146", "category": ["biolink:ChemicalEntity"], "name": "PONESIMOD", "xref": ["InChIKey:LPAUOXUZGSBGDU-STDDISTJSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C"], "synonym": ["Ponesimod", "Ponesimod", "Ponesimod", "Ponesimod", "Ponesimod", "ACT-128800", "Ponvory", "Ponesimod"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545035", "category": ["biolink:ChemicalEntity"], "name": "REVEXEPRIDE", "xref": ["InChIKey:FOUUNSGQVBGYQM-SUMWQHHRSA-N", "SMILES:COCCCN1CC[C@@H](CNC(=O)c2cc(Cl)c(N)c3c2OC(C)(C)C3)[C@H](O)C1"], "synonym": ["Revexepride", "Revexeprida", "(-)-revexepride", "Revexepride", "Ssp-002358", "M-003", "M0003", "R-149402", "R149402", "SPD-557", "SPD557"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800159", "category": ["biolink:ChemicalEntity"], "name": "RELUGOLIX", "xref": ["InChIKey:AOMXMOCNKJTRQP-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1"], "synonym": ["Relugolix", "Relugolix", "Relugolix", "Relugolix", "Relugolix", "Relugolix", "Tak-385", "TAK-385", "Orgovyx", "Relugolix component of myfembree", "Relugolix"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1254771", "category": ["biolink:ChemicalEntity"], "name": "SAFOTIBANT", "xref": ["InChIKey:AMTQCENHQIDBHQ-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1"], "synonym": ["Safotibant", "Fov2304", "Fov2304 free base", "Lf 22-0542", "Lf-22-0542", "Safotibant phosphate", "FOV-2304", "FOV-2304 FREE BASE", "LF22-0542"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232943", "category": ["biolink:ChemicalEntity"], "name": "MK0686", "xref": ["InChIKey:WZZIQHIQMWJNLU-LLVKDONJSA-N", "SMILES:COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1"], "synonym": ["Mk0686", "MK-0686", "MK0686"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103878", "category": ["biolink:ChemicalEntity"], "name": "ONDELOPRAN", "xref": ["InChIKey:QWNDOCKIKKQJNN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Oc2ccc(CNCCC3CCOCC3)cc2F)nc1"], "synonym": ["Ondelopran", "Ondelopran", "Odelepran", "LY-2196044", "LY2196044", "Odelepran", "Ondelopran"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324547", "category": ["biolink:ChemicalEntity"], "name": "NETAZEPIDE", "xref": ["InChIKey:YDZYKNJZCVIKPP-VWLOTQADSA-N", "SMILES:CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1"], "synonym": ["Netazepide", "Netazepida", "Netazepide", "Sograzepide", "Yf476", "YF-476"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545408", "category": ["biolink:ChemicalEntity"], "name": "NALTALIMIDE", "xref": ["InChIKey:DHAITNWJDOSRBU-RCSSWNHXSA-N", "SMILES:O=C1c2ccccc2C(=O)N1[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)C1O5"], "synonym": ["Naltalimide", "Naltalimida", "Trk-130", "TAK-363", "TAK363"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL189475", "category": ["biolink:ChemicalEntity"], "name": "LADARIXIN", "xref": ["InChIKey:DDLPYOCJHQSVSZ-SSDOTTSWSA-N", "SMILES:C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1"], "synonym": ["Ladarixin", "Ladarixine", "Ladarixina", "Df2156a", "Ladarixin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234035", "category": ["biolink:ChemicalEntity"], "name": "PRS-211375", "xref": ["InChIKey:GSTZHANFXAKPSE-MXTREEOPSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c([C@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C)c(OC(=O)/C=C/C(=O)O)c1"], "synonym": ["Cannabinor", "Cannabinor, (-)-", "Prs-211375", "PRS-211,375"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL541758", "category": ["biolink:ChemicalEntity"], "name": "FASITIBANT CHLORIDE", "xref": ["InChIKey:ZNHJDJYKDVGQSH-JMAPEOGHSA-M", "SMILES:Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1.[Cl-]"], "synonym": ["Fasitibant chloride", "Chlorure de fasitibant", "Cloruro de fasitibant", "Men16132"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545224", "category": ["biolink:ChemicalEntity"], "name": "BURIXAFOR", "xref": ["InChIKey:QLVSJMZJSABWRX-UHFFFAOYSA-N", "SMILES:Nc1cc(N2CCN(CCP(=O)(O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1"], "synonym": ["Burixafor", "Burixafor", "Tg-0054"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1950553", "category": ["biolink:ChemicalEntity"], "name": "SONEDENOSON", "xref": ["InChIKey:WUCQGGOGHZRELS-LSCFUAHRSA-N", "SMILES:Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "synonym": ["Sonedenoson", "Mre0094", "Sonedenoson", "MRE-0094", "MRE0094", "Sonedenoson"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL470888", "category": ["biolink:ChemicalEntity"], "name": "BVT.115959", "xref": ["InChIKey:AJACDNCVEGIBNA-KQYNXXCUSA-N", "SMILES:COc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1"], "synonym": ["Bvt.115959", "Spongosine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545163", "category": ["biolink:ChemicalEntity"], "name": "AMP579", "xref": ["InChIKey:CKQOOYMMAAPDKH-NXKGBEFYSA-N", "SMILES:CCNC(=O)[C@H]1CC(n2ccc3c(NC(CC)Cc4sccc4Cl)ncnc32)[C@H](O)[C@@H]1O"], "synonym": ["Amp579", "RPR-100579"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096896", "category": ["biolink:ChemicalEntity"], "name": "UK432097", "xref": ["InChIKey:ZOTHAEBAWXWVID-HXEFRTELSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)[C@H](O)[C@@H]1O"], "synonym": ["Uk432097"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL592435", "category": ["biolink:ChemicalEntity"], "name": "DERENOFYLLINE", "xref": ["InChIKey:RBZNJGHIKXAKQE-UHFFFAOYSA-N", "SMILES:OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1"], "synonym": ["Derenofylline", "Derenofilina", "Derenofylline", "Slv320", "SLV-320", "SLV320"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545036", "category": ["biolink:ChemicalEntity"], "name": "RASEGLURANT", "xref": ["InChIKey:MEDCLNYIYBERKO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1"], "synonym": ["Raseglurant", "Adx-10059", "Adx10059", "Raseglurant", "ADX-10059", "ADX10059"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3642985", "category": ["biolink:ChemicalEntity"], "name": "STX107", "xref": ["InChIKey:SYOSUEIMOYEGKU-UHFFFAOYSA-N", "SMILES:Cc1nc(C#Cc2ccc(-c3cc(F)cc(C#N)c3)nc2)cs1"], "synonym": ["Stx107"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545164", "category": ["biolink:ChemicalEntity"], "name": "AZD2066", "xref": ["InChIKey:SXWHYTICXCLKDG-GFCCVEGCSA-N", "SMILES:C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1cc(-c2cccc(Cl)c2)on1"], "synonym": ["Azd 2066", "Azd-2066", "Azd2066"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545346", "category": ["biolink:ChemicalEntity"], "name": "AZD2516", "synonym": ["Azd2516"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598172", "category": ["biolink:ChemicalEntity"], "name": "NELOTANSERIN", "xref": ["InChIKey:COSPVUFTLGQDQL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C"], "synonym": ["Nelotanserin", "Nelotanserine", "Nelotanserina", "Apd-125", "Nelotanserin", "APD-125", "APD125", "Nelotanserin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2346738", "category": ["biolink:ChemicalEntity"], "name": "DIPRAGLURANT", "xref": ["InChIKey:LZXMUJCJAWVHPZ-UHFFFAOYSA-N", "SMILES:Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1"], "synonym": ["Dipraglurant", "Adx48621", "Dipraglurant", "ADX-48621", "ADX48621"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544947", "category": ["biolink:ChemicalEntity"], "name": "BURAPITANT", "xref": ["InChIKey:ZLNYUCXXSDDIFU-UHFFFAOYSA-N", "SMILES:CC(C)(C(N)=O)C1CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCO2)CC1"], "synonym": ["Burapitant", "Burapitant", "Ssr240600", "SSR-240600", "SSR240600C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545165", "category": ["biolink:ChemicalEntity"], "name": "AFACIFENACIN", "xref": ["InChIKey:IJUMFEAYOMCXAQ-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1"], "synonym": ["Afacifenacin", "Afacifenacine", "Afacifenacina", "Afacifenacin", "Smp-986", "NS-986"]}
{"name": "Sodium channel protein type 11 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL5167"], "id": "UniProtKB:Q9UI33", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016681", "category": ["biolink:ChemicalEntity"], "name": "VELNEPERIT", "xref": ["InChIKey:WGEWUYACXPEFPO-AULYBMBSSA-N", "SMILES:CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1"], "synonym": ["Velneperit", "Velneperit", "S-2367", "Velneperit"]}
{"name": "Neuropeptide Y receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL4561"], "id": "UniProtKB:Q15761", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545038", "category": ["biolink:ChemicalEntity"], "name": "S-237648", "synonym": ["S-237648"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779046", "category": ["biolink:ChemicalEntity"], "name": "TARAFENACIN", "xref": ["InChIKey:UXZDMXYRRQJIBJ-IBGZPJMESA-N", "SMILES:O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1"], "synonym": ["Tarafenacin", "Tarafenacine", "Tarafenacina", "Svt-40776", "Tarafenacin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545166", "category": ["biolink:ChemicalEntity"], "name": "DRINABANT", "xref": ["InChIKey:IQQBRKLVEALROM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1"], "synonym": ["Drinabant", "Ave1625", "Drinabant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45305", "category": ["biolink:ChemicalEntity"], "name": "BEFIRADOL", "xref": ["InChIKey:PKZXLMVXBZICTF-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1"], "synonym": ["Befiradol", "Befiradol", "F13640", "F-13640", "NLX-112"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3183740", "category": ["biolink:ChemicalEntity"], "name": "TRELANSERIN", "xref": ["InChIKey:JDLYOFUDIKMYBL-UHFFFAOYSA-N", "SMILES:NC(=O)Cn1c(=O)cc(CCN2CCN(c3nccc4sccc34)CC2)c2ccc(F)cc21"], "synonym": ["Trelanserin", "Trelanserine", "Trelanserina", "Sl650472", "SL-650472", "SL65.0472"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582857", "category": ["biolink:ChemicalEntity"], "name": "NELIVAPTAN", "xref": ["InChIKey:NJXZWIIMWNEOGJ-WEWKHQNJSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1"], "synonym": ["Nelivaptan", "Nelivaptan", "Ssr149415", "SR-149415", "SSR-149,415", "SSR-149415", "SSR149415"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL539843", "category": ["biolink:ChemicalEntity"], "name": "VAPITADINE DIHYDROCHLORIDE", "xref": ["InChIKey:BOYLPLUVCXUHDJ-UHFFFAOYSA-N", "SMILES:Cl.Cl.NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1"], "synonym": ["R-129160", "R129160", "Hivenyl", "Vapitadine dihydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235279", "category": ["biolink:ChemicalEntity"], "name": "CAPADENOSON", "xref": ["InChIKey:CITWCLNVRIKQAF-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1"], "synonym": ["Capadenoson", "Bay-684986", "Capadenoson", "BAY 68-4986", "BAY-68-4986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189676", "category": ["biolink:ChemicalEntity"], "name": "SURINABANT", "xref": ["InChIKey:HMXDWDSNPRNUKI-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1"], "synonym": ["Surinabant", "Sr147778", "Surinabant", "SR-147778"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103856", "category": ["biolink:ChemicalEntity"], "name": "ATOPAXAR", "xref": ["InChIKey:QWKAUGRRIXBIPO-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2"], "synonym": ["Atopaxar", "Atopaxar", "E5555", "E-5555", "E5555", "ER-172594-00", "Atopaxar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261244", "category": ["biolink:ChemicalEntity"], "name": "REGRELOR DISODIUM", "xref": ["InChIKey:MKQKPLQMNCXTJE-VEZQGTPESA-L", "SMILES:CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21.[Na+].[Na+]"], "synonym": ["Regrelor disodium", "INS-50589", "INS50589", "Regrelor disodium"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL303960", "category": ["biolink:ChemicalEntity"], "name": "RIVENPROST", "xref": ["InChIKey:FBQUXLIJKPWCAO-AZIFJQEOSA-N", "SMILES:COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)c1"], "synonym": ["Rivenprost", "(-)-ono-4819", "Rivenprost", "ONO-4819"]}
{"name": "Prostaglandin E2 receptor EP4 subtype", "xref": ["CHEMBL.TARGET:CHEMBL1836"], "id": "UniProtKB:P35408", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2027925", "category": ["biolink:ChemicalEntity"], "name": "CAPESEROD", "xref": ["InChIKey:MDBNTXARNGRHEV-UHFFFAOYSA-N", "SMILES:Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2"], "synonym": ["Capeserod", "Sl65.0155", "SL650155"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2218893", "category": ["biolink:ChemicalEntity"], "name": "BEDORADRINE SULFATE", "xref": ["InChIKey:VPCOODFYDJWLHD-YMZXMBPUSA-N", "SMILES:CN(C)C(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2.CN(C)C(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2.O=S(=O)(O)O"], "synonym": ["Bedoradrine sulfate", "Bedoradrine sulphate", "KUR-1246", "KUR-1246 MONOSULPHATE", "MN-221", "Bedoradrine sulfate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL345237", "category": ["biolink:ChemicalEntity"], "name": "PICLOZOTAN", "xref": ["InChIKey:URMTUEWUIGOJBW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2OC=C(Cl)N1CCCCN1CC=C(c2ccccn2)CC1"], "synonym": ["Piclozotan", "Piclozotan", "Sun-n4057", "SUN-N-4057"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3668014", "category": ["biolink:ChemicalEntity"], "name": "LINZAGOLIX", "xref": ["InChIKey:BMAAMIIYNNPHAB-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)cc1OCc1c(OC)ccc(F)c1F"], "synonym": ["Linzagolix", "Linzagolix", "Klh-2109", "Linzagolix", "KLH-2109", "OBE-2109", "OBE2109", "Linzagolix"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567303", "category": ["biolink:ChemicalEntity"], "name": "PALOSURAN", "xref": ["InChIKey:WYJCYXOCHXWTHG-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1"], "synonym": ["Palosuran", "Act-058362"]}
{"name": "Urotensin-2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL3764"], "id": "UniProtKB:Q9UKP6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094785", "category": ["biolink:ChemicalEntity"], "name": "CARMOTEROL", "xref": ["InChIKey:IHOXNOQMRZISPV-YJYMSZOUSA-N", "SMILES:COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"], "synonym": ["Carmoterol", "Carmoterol", "Chf 4226", "Quinoterol", "CHF-4226", "TA-2005"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22055", "category": ["biolink:ChemicalEntity"], "name": "SUFUGOLIX", "xref": ["InChIKey:UCQSBGOFELXYIN-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1"], "synonym": ["Sufugolix", "Tak-013"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1628569", "category": ["biolink:ChemicalEntity"], "name": "ROBALZOTAN", "xref": ["InChIKey:MQTUXRKNJYPMCG-CYBMUJFWSA-N", "SMILES:NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2"], "synonym": ["Robalzotan", "Azd-7371", "Azd7371", "NAD-299"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107760", "category": ["biolink:ChemicalEntity"], "name": "NEBENTAN", "xref": ["InChIKey:LONWRQOYFPYMQD-DTQAZKPQSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC"], "synonym": ["Nebentan", "Nebentan", "Nebentan potassium", "Ym598", "HE-11", "YM-598"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257978", "category": ["biolink:ChemicalEntity"], "name": "DABUZALGRON", "xref": ["InChIKey:FOYWMEJSRSBQGB-UHFFFAOYSA-N", "SMILES:Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O"], "synonym": ["Dabuzalgron", "Ro 115-1240"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107572", "category": ["biolink:ChemicalEntity"], "name": "TECALCET HYDROCHLORIDE", "xref": ["InChIKey:YJXUXANREVNZLH-PFEQFJNWSA-N", "SMILES:COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1.Cl"], "synonym": ["Tecalcet hcl", "Tecalcet hydrochloride", "KRN-568", "NPS R-568", "NPS-R-568", "NPSR-568", "R-568", "Norcalcin", "Norcalin", "Tecalcet hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279260", "category": ["biolink:ChemicalEntity"], "name": "RAFABEGRON", "xref": ["InChIKey:FHEYFIGWYQJVDR-ACJLOTCBSA-N", "SMILES:C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1"], "synonym": ["Rafabegron", "Aj-9677", "AD-9677", "TAK-677"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2218898", "category": ["biolink:ChemicalEntity"], "name": "BARUSIBAN", "xref": ["InChIKey:UGNGRKKDUVKQDF-IHOMMZCZSA-N", "SMILES:CC[C@@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCSCC[C@@H](C(=O)N(C)[C@H](CO)CCCN)NC(=O)[C@H](CC(N)=O)NC1=O"], "synonym": ["Barusiban", "Barusiban", "Fe-200440"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107725", "category": ["biolink:ChemicalEntity"], "name": "ANATIBANT", "xref": ["InChIKey:XUHBBTKJWIBQMY-MHZLTWQESA-N", "SMILES:Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)c4ccc(C(=N)N)cc4)c3Cl)c2n1"], "synonym": ["Anatibant", "Lf16-0687", "XY-2405", "XY2405"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL281764", "category": ["biolink:ChemicalEntity"], "name": "TABIMORELIN", "xref": ["InChIKey:WURGZWOTGMLDJP-ZCYANPAGSA-N", "SMILES:CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N"], "synonym": ["Tabimorelin", "Tabimoreline", "Tabimorelina", "Nn703", "NN-703", "NNC-26-0703"]}
{"name": "Growth hormone secretagogue receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL4616"], "id": "UniProtKB:Q92847", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 3A4", "xref": ["CHEMBL.TARGET:CHEMBL340"], "id": "UniProtKB:P08684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41194", "category": ["biolink:ChemicalEntity"], "name": "PRATOSARTAN", "xref": ["InChIKey:KCTFTBCZZUBAKN-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CCCC2"], "synonym": ["Pratosartan", "Kt-3671", "DA-727", "DA727", "KT3-671"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104419", "category": ["biolink:ChemicalEntity"], "name": "MINOPAFANT", "xref": ["InChIKey:IXRMFSBOHHRXSS-YPMTVOEDSA-N", "SMILES:CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)OC[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccccc2OC)OC)CC1.[Cl-]"], "synonym": ["Minopafant", "Menopafant", "Menopafant", "Minopafant chloride", "E 5880", "E-5880", "E5880"]}
{"name": "Platelet-activating factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL250"], "id": "UniProtKB:P25105", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106710", "category": ["biolink:ChemicalEntity"], "name": "FADOLMIDINE HYDROCHLORIDE", "xref": ["InChIKey:OYKZVKWXOWICFI-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2c(c1)C(Cc1c[nH]cn1)CC2"], "synonym": ["Fadolmidine hcl", "Fadolmidine hydrochloride", "Radolmidine hydrochloride", "MPV-2426", "Fadolmidine hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431651", "category": ["biolink:ChemicalEntity"], "name": "ENRASENTAN", "xref": ["InChIKey:GLCKXJLCYIJMRB-UPRLRBBYSA-N", "SMILES:CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2"], "synonym": ["Enrasentan", "Sb-217242"], "chembl_natural_product": true}
{"name": "Endothelin receptor type B", "xref": ["CHEMBL.TARGET:CHEMBL1785"], "id": "UniProtKB:P24530", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742420", "category": ["biolink:ChemicalEntity"], "name": "AMELUBANT", "xref": ["InChIKey:SBVYURPQULDJTI-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=N)c1ccc(OCc2cccc(COc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c2)cc1"], "synonym": ["Amelubant", "Amelubant", "Biil 284 bs", "BIIL 284", "BIIL 284 BS", "BIIL-284", "BIIL-284BS", "BIIL284 BS", "LS-49968"], "chembl_natural_product": true}
{"name": "Leukotriene B4 receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3911"], "id": "UniProtKB:Q15722", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329123", "category": ["biolink:ChemicalEntity"], "name": "ETALOCIB", "xref": ["InChIKey:YFIZRWPXUYFCSN-UHFFFAOYSA-N", "SMILES:CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)O"], "synonym": ["Etalocib", "Etalocib", "Ly-293111", "Ly293111", "LY-193111", "LY-293111", "LY293111", "VML 295", "Etalocib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522302", "category": ["biolink:ChemicalEntity"], "name": "VOFOPITANT", "xref": ["InChIKey:XILNRORTJVDYRH-HKUYNNGSSA-N", "SMILES:COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1"], "synonym": ["Vofopitant", "Gr-205171", "Vofopitant", "GR-205171", "GR205171"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10188", "category": ["biolink:ChemicalEntity"], "name": "TALNETANT", "xref": ["InChIKey:BIAVGWDGIJKWRM-FQEVSTJZSA-N", "SMILES:CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1"], "synonym": ["Talnetant", "Sb-223412", "Talnetant"], "chembl_natural_product": true}
{"name": "Neuromedin-K receptor", "xref": ["CHEMBL.TARGET:CHEMBL4429"], "id": "UniProtKB:P29371", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419667", "category": ["biolink:ChemicalEntity"], "name": "RELCOVAPTAN", "xref": ["InChIKey:CEBYCSRFKCEUSW-NAYZPBBASA-N", "SMILES:COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC"], "synonym": ["Relcovaptan", "Sr-49059", "SR 49059", "SR49059", "TDI 0134", "TDI-0134"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2106841", "category": ["biolink:ChemicalEntity"], "name": "NONABINE", "xref": ["InChIKey:YHUDSHIRWOVVCV-UHFFFAOYSA-N", "SMILES:CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C=C2c1ccncc1"], "synonym": ["Nonabine", "Nonabina", "Brl-4664", "BRL 4664"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256717", "category": ["biolink:ChemicalEntity"], "name": "ITRIGLUMIDE", "xref": ["InChIKey:MFOOVZCXWVAWOV-RUZDIDTESA-N", "SMILES:Cc1cc(C)c(NC(=O)C[C@H](CC(=O)O)c2cccc3ccccc23)c(C(=O)N2CCC3(CCCC3)CC2)c1"], "synonym": ["Itriglumide", "Itriglumida", "Cr-2945", "(+)-CR-2945"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989481", "category": ["biolink:ChemicalEntity"], "name": "FRAKEFAMIDE", "xref": ["InChIKey:GTPHQORJKFJIRB-JTQLPTLWSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "synonym": ["Frakefamide", "Frakefamida", "Bch-3963", "LEF-576", "SPD-759", "SPD759"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515966", "category": ["biolink:ChemicalEntity"], "name": "EZLOPITANT", "xref": ["InChIKey:XPNMCDYOYIKVGB-CONSDPRKSA-N", "SMILES:COc1ccc(C(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1"], "synonym": ["Ezlopitant", "Cj-11974", "CJ-11, 974", "CJ-11,974", "Ezlopitant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742428", "category": ["biolink:ChemicalEntity"], "name": "DONITRIPTAN", "xref": ["InChIKey:SOHCKWZVTCTQBG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1"], "synonym": ["Donitriptan", "Donitriptan hydrochloride", "F-11356"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090488", "category": ["biolink:ChemicalEntity"], "name": "PF-00446687", "xref": ["InChIKey:WHPJOAUPIZDJNX-AGGGUQDCSA-N", "SMILES:C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccccc1"], "synonym": ["Pf-00446687", "(-)-PF-00446687"]}
{"name": "Melanocortin receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL259"], "id": "UniProtKB:P32245", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301624", "category": ["biolink:ChemicalEntity"], "name": "SETMELANOTIDE", "xref": ["InChIKey:HDHDTKMUACZDAA-PHNIDTBTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)NC1=O"], "synonym": ["Setmelanotide", "Setmelanotide", "Setmelanotide", "Setmelanotida", "Setmelanotide", "BIM-22493", "RM-493", "Imcivree", "Setmelanotide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105635", "category": ["biolink:ChemicalEntity"], "name": "DAVALINTIDE", "xref": ["InChIKey:SLYFITHISHUGLZ-LWZDQURMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@H](C)O)[C@H](C)O"], "synonym": ["Davalintide", "Davalintida", "Ac2307", "Davalintide", "AC-2307", "AC2307", "Davalintide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1817709", "category": ["biolink:ChemicalEntity"], "name": "SELEPRESSIN", "xref": ["InChIKey:JCVQBJTWWDYUFQ-MRUTUVJXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O"], "synonym": ["Selepressin", "Selepressine", "Selepresina", "Fe-202158", "Selepressin", "FE 202158", "FE-202158", "FE202158", "Selepressin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545347", "category": ["biolink:ChemicalEntity"], "name": "TALFIRASTIDE", "xref": ["InChIKey:PVHLMTREZMEJCG-GDTLVBQBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O"], "synonym": ["Talfirastide", "Talfirastide", "Talfirastida", "5-ile-angiotensin-(1-7)", "Angiotensin (1-7)", "Angiotensin 1-7", "Angiotensin fragment 1-7", "Angiotensin peptide (1-7)", "Angiotensin-(1-7)", "Asp-arg-val-tyr-ile-his-pro", "Bf-angiotensin 1-7", "Human angiotensin ii (1-7)", "Sh-heptapeptide-13", "Talfirastide", "Txa127", "A(1-7)", "Ang-(1-7)", "Angiotensin (1-7)", "ETRX-101", "TXA-127", "TXA127", "USB-003", "USB003", "Marstem", "Talfirastide"], "chembl_natural_product": true}
{"name": "Proto-oncogene Mas", "xref": ["CHEMBL.TARGET:CHEMBL3559701"], "id": "UniProtKB:P04201", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545104", "category": ["biolink:ChemicalEntity"], "name": "MODIMELANOTIDE", "synonym": ["Modimelanotide", "Modimelanotida", "Ap-214", "Ap214", "Modimelanotide", "ABT-719", "ZP-1480", "ZP1480"]}
{"name": "Melanocortin receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4644"], "id": "UniProtKB:P41968", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Melanocyte-stimulating hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL3795"], "id": "UniProtKB:Q01726", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105864", "category": ["biolink:ChemicalEntity"], "name": "LABRADIMIL", "xref": ["InChIKey:IDXCXSCCZNCXCL-XMADEQCMSA-N", "SMILES:COc1ccc(C[C@@H](CN[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2cccs2)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)cc1"], "synonym": ["Labradimil", "Labradimil", "Lobradimil", "RMP-7", "Labradimil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108318", "category": ["biolink:ChemicalEntity"], "name": "ELSIGLUTIDE", "synonym": ["Elsiglutide", "Elsiglutida", "Elsiglutide", "Zp1846", "ZP-1846", "ZP1846"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095030", "category": ["biolink:ChemicalEntity"], "name": "MOTIXAFORTIDE", "xref": ["InChIKey:JJVZSYKFCOBILL-DPNRMINZSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O"], "synonym": ["Motixafortide", "Motixafortide", "Motixafortida", "Bkt140", "Bl 8040", "Motixafortide", "4F-BENZOYL-TN-14003", "4F-benzoyl-TN14003", "BKT-140", "BKT140", "BL-8040", "T140", "TF 14016", "TF-14016", "TF14016", "Motixafortide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802129", "category": ["biolink:ChemicalEntity"], "name": "BALIXAFORTIDE", "xref": ["InChIKey:MKXOUIKTXREBLX-NDKBASPVSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"], "synonym": ["Balixafortide", "Balixafortida", "Balixafortide", "Pol6326", "POL-6326", "POL6326", "Balixafortide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544949", "category": ["biolink:ChemicalEntity"], "name": "CTCE-9908", "xref": ["InChIKey:VUYRSKROGTWHDC-HZGLMRDYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O"], "synonym": ["Ctce-9908", "CTCE 9908", "PTX-9908 FREE BASE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545106", "category": ["biolink:ChemicalEntity"], "name": "TM30339", "synonym": ["Tm30339"]}
{"name": "Neuropeptide Y receptor type 4", "xref": ["CHEMBL.TARGET:CHEMBL4877"], "id": "UniProtKB:P50391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545167", "category": ["biolink:ChemicalEntity"], "name": "FE 202767", "synonym": ["Fe 202767"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448343", "category": ["biolink:ChemicalEntity"], "name": "LESOGABERAN", "xref": ["InChIKey:LJNUIEQATDYXJH-GSVOUGTGSA-N", "SMILES:NC[C@@H](F)C[PH](=O)O"], "synonym": ["Lesogaberan", "Azd3355", "Lesogaberan", "AZD-3355", "AZD3355"]}
{"name": "Gamma-aminobutyric acid type B receptor subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL2064"], "id": "UniProtKB:Q9UBS5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid type B receptor subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL5034"], "id": "UniProtKB:O75899", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622820", "category": ["biolink:ChemicalEntity"], "name": "ITACITINIB", "xref": ["InChIKey:KTBSXLIQKWEBRB-UHFFFAOYSA-N", "SMILES:N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1"], "synonym": ["Itacitinib", "Itacitinib", "Incb-039110", "Incb-39110", "Incb39110", "Itacitinib", "INCB-039110", "INCB039110", "Itacitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545225", "category": ["biolink:ChemicalEntity"], "name": "INCB-047986", "synonym": ["Incb-047986", "Incb-47986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545168", "category": ["biolink:ChemicalEntity"], "name": "IMD-1041", "synonym": ["Imd-1041"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301622", "category": ["biolink:ChemicalEntity"], "name": "GILTERITINIB", "xref": ["InChIKey:GYQYAJJFPNQOOW-UHFFFAOYSA-N", "SMILES:CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1"], "synonym": ["Gilteritinib", "Gilteritinib", "Gilteritinib", "Asp-2215", "Gilteritinib", "ASP-2215", "ASP2215", "Gilteritinib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314397", "category": ["biolink:ChemicalEntity"], "name": "ACUMAPIMOD", "xref": ["InChIKey:VGUSQKZDZHAAEE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(C#N)c2)c1N"], "synonym": ["Acumapimod", "Acumapimod", "Bct-197"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207433", "category": ["biolink:ChemicalEntity"], "name": "SB-705498", "xref": ["InChIKey:JYILLRHXRVTRSH-GFCCVEGCSA-N", "SMILES:O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1"], "synonym": ["Sb-705498", "GSK705498"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545039", "category": ["biolink:ChemicalEntity"], "name": "AZD1386", "xref": ["InChIKey:DXDVSYALLVVBOV-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc2c1N(Cc1cccc(C(F)(F)F)c1)C(=O)C21NC(=O)NC1=O"], "synonym": ["Azd 1386", "Azd-1386", "Azd1386", "AZD1386"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214796", "category": ["biolink:ChemicalEntity"], "name": "NGD-8243", "xref": ["InChIKey:VTANGSDRFFLTSQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1"], "synonym": ["Ngd-8243", "MK-2295", "MK-2295-005"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314398", "category": ["biolink:ChemicalEntity"], "name": "GRC-6211", "xref": ["InChIKey:JADKHWDNSKIILG-LJQANCHMSA-N", "SMILES:O=C(Nc1cccc2cnccc12)N[C@@H]1CC2(CCC2)Oc2ccc(F)cc21"], "synonym": ["Grc-6211", "GRC6211"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314399", "category": ["biolink:ChemicalEntity"], "name": "JTS-653", "xref": ["InChIKey:QZUCKCLSVBFSOS-INIZCTEOSA-N", "SMILES:Cc1ccc(N2c3cccc(C(=O)Nc4ccc(OCC(F)(F)F)nc4)c3OC[C@@H]2CO)nc1"], "synonym": ["Jts-653", "JTS653"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314400", "category": ["biolink:ChemicalEntity"], "name": "DWP05195", "xref": ["InChIKey:WGAVAOCYBMNWID-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccnc1-c1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1"], "synonym": ["Dwp05195", "DWP-05195"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783282", "category": ["biolink:ChemicalEntity"], "name": "AZD7325", "xref": ["InChIKey:KYDURMHFWXCKMW-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1nnc2c(-c3c(F)cccc3OC)cccc2c1N"], "synonym": ["Azd7325"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545040", "category": ["biolink:ChemicalEntity"], "name": "AZD7009", "xref": ["InChIKey:JRHUUZPSMQIWBQ-PELRDEGISA-N", "SMILES:CC(C)(C)OC(=O)NCCN1CC2CN(C[C@H](O)COc3ccc(C#N)cc3)CC(C1)O2"], "synonym": ["Azd7009"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545169", "category": ["biolink:ChemicalEntity"], "name": "AZD1305", "xref": ["InChIKey:BLLNYXOLLAVTRF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCN1CC2CN(CCOc3ccc(C#N)cc3F)CC(C1)O2"], "synonym": ["Azd 1305", "Azd-1305", "Azd1305"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188462", "category": ["biolink:ChemicalEntity"], "name": "ISPRONICLINE", "xref": ["InChIKey:RPCVIAXDAUMJJP-PZBABLGHSA-N", "SMILES:CN[C@@H](C)C/C=C/c1cncc(OC(C)C)c1"], "synonym": ["Ispronicline", "Isproniclina", "Ispronicline", "Azd3480", "Ispronicline", "AZD-3480", "TC-01734", "TC-1734", "Ispronicline"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467084", "category": ["biolink:ChemicalEntity"], "name": "LANICEMINE", "xref": ["InChIKey:FWUQWDCOOWEXRY-ZDUSSCGKSA-N", "SMILES:N[C@@H](Cc1ccccn1)c1ccccc1"], "synonym": ["Lanicemine", "Lanicemina", "Azd6765", "Lanicemine", "AR-R15896AR", "AZD-6765", "AZD6765"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2151437", "category": ["biolink:ChemicalEntity"], "name": "AZD0328", "xref": ["InChIKey:OCKIPDMKGPYYJS-ZDUSSCGKSA-N", "SMILES:c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2"], "synonym": ["Azd 0328", "Azd-0328", "Azd0328", "AZD0328"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1207366", "category": ["biolink:ChemicalEntity"], "name": "GW468816", "xref": ["InChIKey:XDKRVNKVAKCFGW-FOCLMDBBSA-N", "SMILES:O=C(O)C1C/C(=C2/CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1"], "synonym": ["Gw-468816", "Gw468816", "GW468816"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2068839", "category": ["biolink:ChemicalEntity"], "name": "RISLENEMDAZ", "xref": ["InChIKey:RECBFDWSXWAXHY-IAGOWNOFSA-N", "SMILES:Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1"], "synonym": ["Rislenemdaz", "Cerc-301", "Rislenemdaz", "Rislenemdaz, (-)-", "CERC-301", "MK-0657", "MK-0657, (-)-", "Rislenemdaz"]}
{"id": "CHEMBL.TARGET:CHEMBL1907603", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate NMDA receptor; GRIN1/GRIN2B"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545349", "category": ["biolink:ChemicalEntity"], "name": "EVT-101", "xref": ["InChIKey:OJBLXSPBJMGZDN-UHFFFAOYSA-N", "SMILES:Cc1nccn1Cc1cc(-c2ccc(F)c(C(F)F)c2)cnn1.Cl.Cl"], "synonym": ["Evt-101", "Evt101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989872", "category": ["biolink:ChemicalEntity"], "name": "APIMOSTINEL", "xref": ["InChIKey:DVBUEXCIEIAXPM-PJUQSVSOSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O"], "synonym": ["Apimostinel", "Apimostinel", "Nrx-1074", "NRX-1074", "NRX1074", "Apimostinel"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544917", "category": ["biolink:ChemicalEntity"], "name": "RAPASTINEL", "xref": ["InChIKey:GIBQQARAXHVEGD-BSOLPCOYSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O"], "synonym": ["Rapastinel", "Rapastinel", "Rapastinelum", "Tppt-amide", "GLYX-13", "Rapastinel"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1255840", "category": ["biolink:ChemicalEntity"], "name": "NEBOGLAMINE", "xref": ["InChIKey:VCRGLZYPNNAVRP-JTQLQIEISA-N", "SMILES:CC1(C)CCC(NC(=O)[C@@H](N)CCC(=O)O)CC1"], "synonym": ["Neboglamine", "Neboglamina", "Cr2249", "Nebostinel", "XY-2401"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545351", "category": ["biolink:ChemicalEntity"], "name": "AV-101", "xref": ["InChIKey:HQLHZNDJQSRKDT-UHFFFAOYSA-N", "SMILES:Nc1cc(Cl)ccc1C(=O)CC(N)C(=O)O"], "synonym": ["4-chlorokynurenine", "4-cl-kyn", "Av-101", "L-4-chlorokynurenine", "L-4-cl-kyn", "J578.071C"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545108", "category": ["biolink:ChemicalEntity"], "name": "AZD9056", "xref": ["InChIKey:HSQAARMBHJCUOK-UHFFFAOYSA-N", "SMILES:O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl"], "synonym": ["Azd 9056", "Azd-9056", "Azd9056", "AZD9056"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3716057", "category": ["biolink:ChemicalEntity"], "name": "GEFAPIXANT", "xref": ["InChIKey:HLWURFKMDLAKOD-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O"], "synonym": ["Gefapixant", "Gefapixant", "Af-219", "Gefapixant", "AF-219", "R-1646", "R1646", "RG-1646", "RG1646", "RO-4926219", "RO4926219", "Gefapixant"]}
{"name": "P2X purinoceptor 3", "xref": ["CHEMBL.TARGET:CHEMBL2998"], "id": "UniProtKB:P56373", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823817", "category": ["biolink:ChemicalEntity"], "name": "CE-224535", "xref": ["InChIKey:FUCKCIVGBCBZNP-MRXNPFEDSA-N", "SMILES:COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c1=O"], "synonym": ["Ce 224535", "Ce-224535", "CE 224,535", "CE-224,535", "CE224535"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1258006", "category": ["biolink:ChemicalEntity"], "name": "BRADANICLINE", "xref": ["InChIKey:OXKRFEWMSWPKKV-GHTZIAJQSA-N", "SMILES:O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1"], "synonym": ["Bradanicline", "Bradaniclina", "Bradanicline", "ATA-101", "TC 5619", "TC-5619", "Bradanicline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL17350", "category": ["biolink:ChemicalEntity"], "name": "TRAXOPRODIL", "xref": ["InChIKey:QEMSVZNTSXPFJA-HNAYVOBHSA-N", "SMILES:C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1"], "synonym": ["Traxoprodil", "Cp-101,606", "Traxoprodil", "CP-101,606", "CP-101606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545231", "category": ["biolink:ChemicalEntity"], "name": "ABT-126", "xref": ["InChIKey:QZDCYUCETTWCMO-CDFKWJNJSA-N", "SMILES:c1ccc(-c2nnc(O[C@@H]3C4CC5C[C@H]3CN(C5)C4)s2)cc1"], "synonym": ["Nelonicline", "Abt-126", "Nelonicline", "ABT-126"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325014", "category": ["biolink:ChemicalEntity"], "name": "PF-05089771", "xref": ["InChIKey:ZYSCOUXLBXGGIM-UHFFFAOYSA-N", "SMILES:Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl"], "synonym": ["Pf-05089771"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544913", "category": ["biolink:ChemicalEntity"], "name": "VIXOTRIGINE", "xref": ["InChIKey:JESCETIFNOFKEU-SJORKVTESA-N", "SMILES:NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1"], "synonym": ["Vixotrigine", "Vixotrigine", "Vixotrigina", "Raxatrigine", "Vixotrigine", "BIIB-074", "BIIB074", "CNV-1014802", "CNV1014802", "GSK-1014802", "GSK1014802", "Raxatrigine", "Vixotrigine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589904", "category": ["biolink:ChemicalEntity"], "name": "PF-04531083", "xref": ["InChIKey:ZRJGMDIPCQOGNI-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccnn3C)nc2N)c1"], "synonym": ["Pf-04531083", "PF-4531083"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5095031", "category": ["biolink:ChemicalEntity"], "name": "IDREVLORIDE", "xref": ["InChIKey:HBZAZSCNDMDWEU-GNZRQIOVSA-N", "SMILES:CCCCCCN(CCOc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)cc1)C[C@H](O)C(O)[C@H](O)[C@H](O)CO"], "synonym": ["Idrevloride", "Idrevloride", "P-1037", "GS-560876", "GS-5737", "P-1037", "VRT-1499138", "VX-371", "Idrevloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314401", "category": ["biolink:ChemicalEntity"], "name": "CNV2197944", "xref": ["InChIKey:BLFJGFDZMABYMY-ZDUSSCGKSA-N", "SMILES:Cc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C"], "synonym": ["Cnv-2197944", "Cnv2197944", "CNV2197944"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545232", "category": ["biolink:ChemicalEntity"], "name": "AQW051", "xref": ["InChIKey:NPDLTEZXGWRMLQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(OC3CN4CCC3CC4)cn2)cc1"], "synonym": ["Aqw051", "AQW-051"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545291", "category": ["biolink:ChemicalEntity"], "name": "JNJ-39393406", "xref": ["InChIKey:IURMHZBQEYNQOH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CCn1nc(Nc2ccc3c(c2)OC(F)(F)O3)nc1-c1ccncc1"], "synonym": ["Jnj-39393406"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559478", "category": ["biolink:ChemicalEntity"], "name": "SSR180711", "xref": ["InChIKey:RXLOZRCLQMJJLC-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2"], "synonym": ["Ssr180711", "J2.849.107G", "SSR-180,711", "SSR-180711", "SSR180711C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095032", "category": ["biolink:ChemicalEntity"], "name": "FACINICLINE HYDROCHLORIDE", "xref": ["InChIKey:CMRLNEYJEPELSM-BTQNPOSSSA-N", "SMILES:Cl.O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2ccccc12"], "synonym": ["Facinicline hydrochloride", "Rg3487", "MEM 3454", "MEM-3454", "MEM3454", "RG-3487", "RG3487"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314402", "category": ["biolink:ChemicalEntity"], "name": "TC-6987", "xref": ["InChIKey:UAKZGMMGIMKFMV-RBUKOAKNSA-N", "SMILES:O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(F)cc(F)c1"], "synonym": ["Tc-6987", "TC-6987"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127071", "category": ["biolink:ChemicalEntity"], "name": "POZANICLINE", "xref": ["InChIKey:YRVIKLBSVVNSHF-JTQLQIEISA-N", "SMILES:Cc1ncccc1OC[C@@H]1CCCN1"], "synonym": ["Pozanicline", "Pozaniclina", "Pozanicline", "A-87089.0", "A-870890", "ABT-089", "Pozanicline"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3038461", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha4/beta2/alpha5"}
{"id": "CHEMBL.TARGET:CHEMBL2109237", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha6/beta2"}
{"id": "CHEMBL.COMPOUND:CHEMBL2104964", "category": ["biolink:ChemicalEntity"], "name": "TEBANICLINE TOSYLATE", "xref": ["InChIKey:JCPWIGCGJUGLJQ-OGFXRTJISA-N", "SMILES:Cc1ccc(S(=O)(=O)O)cc1.Clc1ccc(OC[C@H]2CCN2)cn1"], "synonym": ["Ebanicline tosylate", "Tebanicline tosilate", "Tebanicline tosylate", "A-165594", "A-166594.47", "A-16659447", "ABT-165594", "ABT-594", "Tebanicline tosylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238465", "category": ["biolink:ChemicalEntity"], "name": "SOFINICLINE", "xref": ["InChIKey:MBQYQLWSBRANKQ-IMTBSYHQSA-N", "SMILES:Clc1cc(N2C[C@@H]3CN[C@@H]3C2)cnc1Cl"], "synonym": ["Sofinicline", "Sofiniclina", "Sofinicline", "A-422894.0", "ABT-894", "Sofinicline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594254", "category": ["biolink:ChemicalEntity"], "name": "SIMPINICLINE", "xref": ["InChIKey:FNEHSHNEXMPCLJ-VWCDRPFISA-N", "SMILES:C(=C/[C@H]1CCNC1)\\c1cncnc1"], "synonym": ["Simpinicline", "Oc-02", "Simpinicline", "Tc-6499", "OC-02", "TC-6499", "TC-6499-12", "TC6499", "Simpinicline"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179529", "category": ["biolink:ChemicalEntity"], "name": "AZD1446", "xref": ["InChIKey:GTUIQNHJSXQMKW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)o1)N1CC2CNCC2C1"], "synonym": ["Azd 1446", "Azd1446", "Azd1446 free base", "AZD-1446", "AZD1446 HCL", "TC-6683", "TC6683", "TC6683 HCL"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545042", "category": ["biolink:ChemicalEntity"], "name": "SELURAMPANEL", "xref": ["InChIKey:MCECSFFXUPEPDB-UHFFFAOYSA-N", "SMILES:CC(C)c1cc2[nH]c(=O)n(NS(C)(=O)=O)c(=O)c2cc1-c1ccnn1C"], "synonym": ["Selurampanel", "Bgg492", "Selurampanel", "BGG-492", "BGG492"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL119549", "category": ["biolink:ChemicalEntity"], "name": "ANDOLAST", "xref": ["InChIKey:VXEBMQZDPONDFB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1ccc(-c2nnn[nH]2)cc1"], "synonym": ["Andolast", "Cr2039"]}
{"name": "Calcium-activated potassium channel subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4304"], "id": "UniProtKB:Q12791", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL182066", "category": ["biolink:ChemicalEntity"], "name": "RADIPRODIL", "xref": ["InChIKey:GKGRZLGAQZPEHO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1"], "synonym": ["Radiprodil", "Radiprodil", "Rgh-896", "RGH-896"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650318", "category": ["biolink:ChemicalEntity"], "name": "ICENTICAFTOR", "xref": ["InChIKey:USHQRIKZLHNPQR-JTQLQIEISA-N", "SMILES:COc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F"], "synonym": ["Icenticaftor", "Icenticaftor", "Qbw251", "QBW-251", "QBW251", "Icenticaftor"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544953", "category": ["biolink:ChemicalEntity"], "name": "SAF312", "synonym": ["Saf312"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544914", "category": ["biolink:ChemicalEntity"], "name": "TEZACAFTOR", "xref": ["InChIKey:MJUVRTYWUMPBTR-MRXNPFEDSA-N", "SMILES:CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO"], "synonym": ["Tezacaftor", "Tezacaftor", "Tezacaftor", "Tezacaftor", "VX-661", "Tezacaftor component of symkevi", "Tezacaftor component of trikafta", "Tezacaftor"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL222460", "category": ["biolink:ChemicalEntity"], "name": "BMS-223131", "xref": ["InChIKey:QESHSZWKJULSAR-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1CCO"], "synonym": ["Bms-223131"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989703", "category": ["biolink:ChemicalEntity"], "name": "TEZAMPANEL", "xref": ["InChIKey:LNDYQNTTYXLTNH-RTBBDAMFSA-N", "SMILES:O.O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1"], "synonym": ["Tezampanel", "Tezampanel", "Tezampanel hydrate", "LY293558", "Tezampanel"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL604710", "category": ["biolink:ChemicalEntity"], "name": "Z160", "xref": ["InChIKey:VCPMZDWBEWTGNW-UHFFFAOYSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1"], "synonym": ["Z-160", "Z160", "MK-6721", "MK6721", "NMED-160", "NP-118809"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL426559", "category": ["biolink:ChemicalEntity"], "name": "LAROPIPRANT", "xref": ["InChIKey:NXFFJDQHYLNEJK-CYBMUJFWSA-N", "SMILES:CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3"], "synonym": ["Laropiprant", "Laropiprant", "Cordaptive", "Laropiprant", "MK-0524", "Laropiprant"], "chembl_availability_type": "withdrawn"}
{"name": "Prostaglandin D2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL4427"], "id": "UniProtKB:Q13258", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951575", "category": ["biolink:ChemicalEntity"], "name": "VIDUPIPRANT", "xref": ["InChIKey:PFWVGKROPKKEDW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O)cc2Cl)c(NS(=O)(=O)c2ccc(C3CC3)cc2Cl)c1"], "synonym": ["Vidupiprant", "Vidupiprant", "AMG 853", "AMG-853", "AMG853", "Vidupiprant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688243", "category": ["biolink:ChemicalEntity"], "name": "INCB-9471", "xref": ["InChIKey:ZMCJFJZOSKEMOM-DNKZPPIMSA-N", "SMILES:CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C"], "synonym": ["Incb-9471", "INCB-009471", "INCB009471", "INCB9471"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545233", "category": ["biolink:ChemicalEntity"], "name": "PAVINETANT", "xref": ["InChIKey:QYTBBBAHNIWFOD-NRFANRHFSA-N", "SMILES:CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1"], "synonym": ["Pavinetant", "Azd 2624", "Azd 4901", "Azd-2624", "Azd2624", "Pavinetant", "AZ-12472520", "AZ12472520", "AZ124752520", "AZ4901", "AZD-4901", "AZD2624", "AZD4901", "MLE-4901", "MLE4901", "Pavinetant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3137316", "category": ["biolink:ChemicalEntity"], "name": "FOSDAGROCORAT", "xref": ["InChIKey:BVXLAHSJXXSWFF-KEKPKEOLSA-N", "SMILES:Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OP(=O)(O)O)(C(F)(F)F)CC[C@@]21Cc1ccccc1"], "synonym": ["Fosdagrocorat", "Fosdagrocorat", "PF-04171327", "Fosdagrocorat"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3908979", "category": ["biolink:ChemicalEntity"], "name": "FGF401", "xref": ["InChIKey:BHKDKKZMPODMIQ-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N"], "synonym": ["Roblitinib", "Fgf401", "Roblitinib", "FGF-401"]}
{"name": "Fibroblast growth factor receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL3973"], "id": "UniProtKB:P22455", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787344", "category": ["biolink:ChemicalEntity"], "name": "NAZARTINIB", "xref": ["InChIKey:IOMMMLWIABWRKL-WUTDNEBXSA-N", "SMILES:Cc1cc(C(=O)Nc2nc3cccc(Cl)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1"], "synonym": ["Nazartinib", "Egf816", "Nazartinib", "EGF-816", "EGF816", "NVP-EGF816-NX", "Nazartinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545073", "category": ["biolink:ChemicalEntity"], "name": "AMA0076", "synonym": ["Sovesudil", "Ama0076", "Sovesudil", "AMA-0076", "PHP-201", "PHP201"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809489", "category": ["biolink:ChemicalEntity"], "name": "BEMCENTINIB", "xref": ["InChIKey:KXMZDGSRSGHMMK-VWLOTQADSA-N", "SMILES:Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2"], "synonym": ["Bemcentinib", "Bemcentinib", "BGB 324", "BGB-324", "BGB324", "CS-1046", "HY-15150", "KB-80319", "QC-11751", "R 428", "R-428", "R428", "SYN-1131", "SYN1131", "W-5845", "Bemcentinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108767", "category": ["biolink:ChemicalEntity"], "name": "RUPLIZUMAB", "synonym": ["Ruplizumab", "Ruplizumab", "BG-9588", "BG9588", "HU-5C8", "hu5c8", "Antova", "Ruplizumab"]}
{"name": "CD40 ligand", "xref": ["CHEMBL.TARGET:CHEMBL3580491"], "id": "UniProtKB:P29965", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109256", "category": ["biolink:ChemicalEntity"], "name": "SGN-30", "synonym": ["Sgn-30", "SGN-30"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41306", "category": ["biolink:ChemicalEntity"], "name": "CNS-5161", "xref": ["InChIKey:JHVHEDNLONERHY-UHFFFAOYSA-N", "SMILES:CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1"], "synonym": ["Cns 5161", "Cns-5161"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3707400", "category": ["biolink:ChemicalEntity"], "name": "INDANTADOL", "synonym": ["Indantadol", "Chf-3381 free base", "Chf3381", "Indantadol", "V3381"]}
{"name": "Amine oxidase [flavin-containing] A", "xref": ["CHEMBL.TARGET:CHEMBL1951"], "id": "UniProtKB:P21397", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103869", "category": ["biolink:ChemicalEntity"], "name": "DASOLAMPANEL", "xref": ["InChIKey:LAKQPSQCICNZII-NOHGZBONSA-N", "SMILES:O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3cccc(Cl)c3-c3nnn[nH]3)CC[C@H]2CN1"], "synonym": ["Dasolampanel", "Dasolampanel", "NGX426", "Dasolampanel"]}
{"name": "Glutamate receptor ionotropic, kainate 1", "xref": ["CHEMBL.TARGET:CHEMBL1918"], "id": "UniProtKB:P39086", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707316", "category": ["biolink:ChemicalEntity"], "name": "ND0801", "synonym": ["Nd0801"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707249", "category": ["biolink:ChemicalEntity"], "name": "ASM-024", "synonym": ["Asm-024"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3341965", "category": ["biolink:ChemicalEntity"], "name": "CP-601927", "xref": ["InChIKey:RNOBTWYQAWEZHH-JGVFFNPUSA-N", "SMILES:FC(F)(F)c1ccc2c(c1)[C@H]1CNC[C@@H]2C1"], "synonym": ["Cp-601927", "CP-601,927"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107762", "category": ["biolink:ChemicalEntity"], "name": "NERISPIRDINE", "xref": ["InChIKey:BTDHTARYCBHHPJ-UHFFFAOYSA-N", "SMILES:CCCN(c1ccncc1F)n1cc(C)c2ccccc21"], "synonym": ["Nerispirdine", "Nerispirdina", "Nerispirdine", "Nerispirdine hydrochloride", "HP-184", "HP184"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989682", "category": ["biolink:ChemicalEntity"], "name": "BECAMPANEL", "xref": ["InChIKey:DDOAQMGXVXFNSH-UHFFFAOYSA-N", "SMILES:CN(CP(=O)(O)O)c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12"], "synonym": ["Becampanel", "Becampanel", "AMP-397", "AMP397"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276138", "category": ["biolink:ChemicalEntity"], "name": "FARAMPATOR", "xref": ["InChIKey:XFVRBYKKGGDPAJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2nonc2c1)N1CCCCC1"], "synonym": ["Farampator", "Farampator", "CX 691", "CX-691", "CX691", "ORG 24448", "ORG-24448", "SCH-900460", "Farampator"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277001", "category": ["biolink:ChemicalEntity"], "name": "MIBAMPATOR", "xref": ["InChIKey:ULRDYYKSPCRXAJ-KRWDZBQOSA-N", "SMILES:CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1"], "synonym": ["Mibampator", "Mibampator", "LY 451395", "LY-451395", "LY451395", "Mibampator"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105160", "category": ["biolink:ChemicalEntity"], "name": "NAMINIDIL", "xref": ["InChIKey:PGYDRGZVXVVZQC-LLVKDONJSA-N", "SMILES:C[C@@H](N/C(=N\\C#N)Nc1ccc(C#N)cc1)C(C)(C)C"], "synonym": ["Naminidil", "Naminidil", "Naminidil, (r)-", "BMS-234303", "BMS-234303-01", "Naminidil"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593430", "category": ["biolink:ChemicalEntity"], "name": "ATAGABALIN", "xref": ["InChIKey:IUVMAUQEZFTTFB-YUMQZZPRSA-N", "SMILES:C[C@H]1CC(CN)(CC(=O)O)C[C@@H]1C"], "synonym": ["Atagabalin", "Atagabaline", "Atagabalina", "Atagabalin", "PD 0200390", "PD-0200,390", "PD-0200390", "PD0200390", "Atagabalin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL111659", "category": ["biolink:ChemicalEntity"], "name": "ALTINICLINE", "xref": ["InChIKey:NUPUDYKEEJNZRG-LBPRGKRZSA-N", "SMILES:C#Cc1cncc([C@@H]2CCCN2C)c1"], "synonym": ["Altinicline", "Altiniclina", "(-)-5-ethynylnicotine", "Altinicline", "SIB-1508Y", "SIB-1765F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103791", "category": ["biolink:ChemicalEntity"], "name": "ADIPIPLON", "xref": ["InChIKey:UAMAIHOEGLEXSV-UHFFFAOYSA-N", "SMILES:CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12"], "synonym": ["Adipiplon", "Adipiplon", "NG2-73", "Adipiplon"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303403", "category": ["biolink:ChemicalEntity"], "name": "LOREDIPLON", "xref": ["InChIKey:NQPOCLFSADOXBR-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)c1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)ccc1F"], "synonym": ["Lorediplon", "Gf-015535-00"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107801", "category": ["biolink:ChemicalEntity"], "name": "RESEQUINIL", "xref": ["InChIKey:JQOFKKWHXGQABB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nccc3[nH]c(=O)c(-c4noc(C)n4)cc23)c1"], "synonym": ["Radequinil", "Radequinilo", "Ac-3933", "Resequinil", "AVE-3933", "SX-3933"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707318", "category": ["biolink:ChemicalEntity"], "name": "GRC-17536", "synonym": ["Grc-17536", "GRC 17536", "ISC-17536"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707319", "category": ["biolink:ChemicalEntity"], "name": "GRC-15300", "synonym": ["Grc-15300", "SAR-292833"]}
{"name": "Transient receptor potential cation channel subfamily V member 3", "xref": ["CHEMBL.TARGET:CHEMBL5522"], "id": "UniProtKB:Q8NET8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707293", "category": ["biolink:ChemicalEntity"], "name": "XEN-D0501", "synonym": ["Xen-d0501"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707401", "category": ["biolink:ChemicalEntity"], "name": "MK-8777", "synonym": ["Mk-8777", "Org-26576"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707356", "category": ["biolink:ChemicalEntity"], "name": "TIVANISIRAN", "synonym": ["Tivanisiran", "Syl-1001", "Tivanisiran", "SYL 1001", "SYL-1001", "SYL1001", "Tivanisiran"]}
{"id": "CHEMBL.TARGET:CHEMBL5500263", "category": ["biolink:NucleicAcidEntity"], "name": "TRPV1 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL3647536", "category": ["biolink:ChemicalEntity"], "name": "DARIGABAT", "xref": ["InChIKey:PTTQXDBPTFOCMT-UHFFFAOYSA-N", "SMILES:CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21"], "synonym": ["Darigabat", "Cvl-865", "Darigabat", "Pf-06372865", "CVL-865", "PF-06372865", "Darigabat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL356388", "category": ["biolink:ChemicalEntity"], "name": "ETAZOLATE", "xref": ["InChIKey:OPQRBXUBWHDHPQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C"], "synonym": ["Etazolate", "Etazolato", "Etazolate", "EHT-0202", "SQ-20009"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta-3", "xref": ["CHEMBL.TARGET:CHEMBL1847"], "id": "UniProtKB:P28472", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487", "category": ["biolink:ChemicalEntity"], "name": "DROLOXIFENE", "xref": ["InChIKey:ZQZFYGIXNQKOAV-OCEACIFDSA-N", "SMILES:CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1"], "synonym": ["Droloxifene", "Droloxifeno", "3-hydroxytamoxifen", "E-droloxifene", "Fk-435", "K-060", "K-21060E", "K060", "K060E", "Droloxifene"]}
{"id": "CHEMBL.COMPOUND:CHEMBL68055", "category": ["biolink:ChemicalEntity"], "name": "ACOLBIFENE", "xref": ["InChIKey:DUYNJNWVGIWJRI-LJAQVGFWSA-N", "SMILES:CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21"], "synonym": ["Acolbifene", "Acolbifeno", "Acolbifene", "Em-652", "SCH-57068", "SCH57068", "Acolbifene"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297185", "category": ["biolink:ChemicalEntity"], "name": "DAROLUTAMIDE", "xref": ["InChIKey:BLIJXOOIHRSQRB-PXYINDEMSA-N", "SMILES:CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1"], "synonym": ["Darolutamide", "Darolutamide", "Darolutamide", "Darolutamide", "Darolutamida", "Darolutamide", "Darolutamide", "Odm-201", "BAY 1841788", "BAY-1841788", "BAY1841788", "ODM-201", "Nubeqa", "Darolutamide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1738889", "category": ["biolink:ChemicalEntity"], "name": "ENOBOSARM", "xref": ["InChIKey:JNGVJMBLXIUVRD-SFHVURJKSA-N", "SMILES:C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"], "synonym": ["Enobosarm", "Enobosarm", "Gtx-024", "GTX-024", "MK-2866", "Ostarine", "Enobosarm"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3183409", "category": ["biolink:ChemicalEntity"], "name": "APALUTAMIDE", "xref": ["InChIKey:HJBWBFZLDZWPHF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F"], "synonym": ["Apalutamide", "Apalutamide", "Apalutamide", "Apalutamide", "Apalutamida", "Apalutamide", "Apalutamide", "Apalutamide", "Arn-509", "ARN-509", "JNJ-56021927", "Erleada"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545411", "category": ["biolink:ChemicalEntity"], "name": "MF101", "synonym": ["Mf101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566315", "category": ["biolink:ChemicalEntity"], "name": "OBETICHOLIC ACID", "xref": ["InChIKey:ZXERDUOLZKYMJM-ZWECCWDJSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"], "synonym": ["Obeticholic acid", "Obeticholic acid", "Obeticholic acid", "Obeticholic acid", "Acide obeticholique", "Acido obeticolico", "Obeticholic acid", "Obeticholic acid", "6-ecdca", "6-ethylchenodeoxycholic acid", "Obeticholic acid", "DSP-1747", "INT-747", "Ocaliva", "Obeticholic acid"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103876", "category": ["biolink:ChemicalEntity"], "name": "MAPRACORAT", "xref": ["InChIKey:VJGFOYBQOIPQFY-XMMPIXPASA-N", "SMILES:Cc1ccc2c(NC[C@](O)(CC(C)(C)c3cc(F)cc4c3OCC4)C(F)(F)F)cccc2n1"], "synonym": ["Mapracorat", "Mapracorat", "Zk-245186", "BOL-303242-X", "BOL-303242X", "ZK 245186", "ZK-245186", "ZK245186", "Mapracorat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267431", "category": ["biolink:ChemicalEntity"], "name": "ASOPRISNIL", "xref": ["InChIKey:GJMNAFGEUJBOCE-MEQIQULJSA-N", "SMILES:COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(/C=N/O)cc3)C[C@@]21C"], "synonym": ["Asoprisnil", "Asoprisnil", "Asoprisnilo", "Asoprisnil", "Asoprisnil", "BAY86-5294", "J-867", "J867", "Asoprisnil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545412", "category": ["biolink:ChemicalEntity"], "name": "K-877", "synonym": ["K-877"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592054", "category": ["biolink:ChemicalEntity"], "name": "IMIGLITAZAR", "xref": ["InChIKey:ULVDFHLHKNJICZ-QCWLDUFUSA-N", "SMILES:Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\\CCC(=O)O)c2ccccc2)cc1"], "synonym": ["Imiglitazar", "Imiglitazar", "Tak-559", "TAK-559"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL519504", "category": ["biolink:ChemicalEntity"], "name": "ALEGLITAZAR", "xref": ["InChIKey:DAYKLWSKQJBGCS-NRFANRHFSA-N", "SMILES:CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O"], "synonym": ["Aleglitazar", "Aleglitazar", "Aleglitazar", "Ro-0728804", "R-1439", "R1439", "RO-0728804", "RO0728804", "Aleglitazar"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL186179", "category": ["biolink:ChemicalEntity"], "name": "MURAGLITAZAR", "xref": ["InChIKey:IRLWJILLXJGJTD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1"], "synonym": ["Muraglitazar", "Muraglitazar", "Muraglitazar", "BMS-298585", "BMS-298585-01", "MK-0478", "MK0478", "Muraglitazar"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL282686", "category": ["biolink:ChemicalEntity"], "name": "TESAGLITAZAR", "xref": ["InChIKey:CXGTZJYQWSUFET-IBGZPJMESA-N", "SMILES:CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O"], "synonym": ["Tesaglitazar", "Tesaglitazar", "Tesaglitazar", "Az-242", "Tesaglitazar", "AR-H-039242", "AR-H039242XX", "AZ-242", "BR-44608", "Galida", "Tesaglitazar"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103991", "category": ["biolink:ChemicalEntity"], "name": "BALAGLITAZONE", "xref": ["InChIKey:IETKPTYAGKZLKY-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O"], "synonym": ["Balaglitazone", "Balaglitazona", "Balaglitazone", "Drf-2593", "DRF-2593", "NN-2344"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2104753", "category": ["biolink:ChemicalEntity"], "name": "RIVOGLITAZONE", "xref": ["InChIKey:XMSXOLDPMGMWTH-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1"], "synonym": ["Rivoglitazone", "Rivoglitazona", "Rivoglitazone", "CS-011", "DE-101", "R 106056", "R-106056", "Rivoglitazone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1762621", "category": ["biolink:ChemicalEntity"], "name": "BARDOXOLONE METHYL", "xref": ["InChIKey:WPTTVJLTNAWYAO-KPOXMGGZSA-N", "SMILES:COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"], "synonym": ["Bardoxolone methyl ester", "Bardoxolone methyl", "Rta-402", "CDDO-METHYL ESTER", "CDDO-Me", "NSC 713200", "NSC-713200", "RTA 402", "RTA-402", "RTA402", "Bardoxolone methyl"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3038498", "category": ["biolink:MolecularActivity"], "name": "Keap1/Nrf2"}
{"id": "CHEMBL.COMPOUND:CHEMBL2035874", "category": ["biolink:ChemicalEntity"], "name": "EPROTIROME", "xref": ["InChIKey:VPCSYAVXDAUHLT-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O"], "synonym": ["Eprotirome", "Eprotiromo", "Eprotirome", "Bms-356384", "Eprotirome", "Kb-2115", "Kb2115"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1908376", "category": ["biolink:ChemicalEntity"], "name": "SEOCALCITOL", "xref": ["InChIKey:LVLLALCJVJNGQQ-SEODYNFXSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/C=C/C(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "synonym": ["Seocalcitol", "Seocalcitol", "Eb-1089", "Seocalcitol", "CB-1089"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989862", "category": ["biolink:ChemicalEntity"], "name": "PEFCALCITOL", "xref": ["InChIKey:SVCSMAZYWOQCBW-NVJMFHFGSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)C([C@H](C)OCC(=O)NCC(F)(F)C(F)(F)F)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "synonym": ["Pefcalcitol", "Pefcalcitol", "Pefcalcitol", "M-5181", "M-518101", "M5181", "M518101", "Pefcalcitol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908391", "category": ["biolink:ChemicalEntity"], "name": "MASITINIB", "xref": ["InChIKey:WJEOLQLKVOPQFV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1"], "synonym": ["Masitinib", "Masitinib", "Masitinib", "Masitinib", "Kinavet"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL223360", "category": ["biolink:ChemicalEntity"], "name": "LINIFANIB", "xref": ["InChIKey:MPVGZUGXCQEXTM-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1"], "synonym": ["Linifanib", "Linifanib", "A-741439", "ABT-869", "AL-39324", "RG-3635", "Linifanib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576982", "category": ["biolink:ChemicalEntity"], "name": "QUIZARTINIB", "xref": ["InChIKey:CVWXJKQAOSCOAB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1"], "synonym": ["Quizartinib", "Quizartinib", "Ac-220", "Quizartinib", "AC-010220", "AC-220", "AC010220", "AC220", "ASP-2689", "Quizartinib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103882", "category": ["biolink:ChemicalEntity"], "name": "TIVANTINIB", "xref": ["InChIKey:UCEQXRCJXIVODC-PMACEKPBSA-N", "SMILES:O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12"], "synonym": ["Tivantinib", "Tivantinib", "Arq-197", "Tivantinib", "ARQ 197", "ARQ-197", "Tivantinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL217092", "category": ["biolink:ChemicalEntity"], "name": "SARACATINIB", "xref": ["InChIKey:OUKYUETWWIPKQR-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1"], "synonym": ["Saracatinib", "Azd-0530", "Saracatinib", "AZ-10353926", "AZD-0530", "AZD0530", "Saracatinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL415049", "category": ["biolink:ChemicalEntity"], "name": "BARASERTIB", "xref": ["InChIKey:GBJVVSCPOBPEIT-UHFFFAOYSA-N", "SMILES:CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O"], "synonym": ["Barasertib", "Azd-1152", "Barasertib", "Barasertib (who-dd)", "AZD 1152", "AZD-1152", "AZD1152"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL491473", "category": ["biolink:ChemicalEntity"], "name": "CEDIRANIB", "xref": ["InChIKey:XXJWYDDUDKYVKI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1"], "synonym": ["Cediranib", "Cediranib", "Azd-2171", "Cediranib", "AZD-2171", "AZD2171", "ZD-2171", "Recentin", "Cediranib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353410", "category": ["biolink:ChemicalEntity"], "name": "OSIMERTINIB", "xref": ["InChIKey:DUYJMQONPNNFPI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"], "synonym": ["Osimertinib", "Osimertinib", "Osimertinib", "Osimertinib", "Azd-9291", "Mereletinib", "Osimertinib", "AZD-9291", "AZD-9291 FREE BASE", "AZD9291", "Tagrisso", "Osimertinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1233528", "category": ["biolink:ChemicalEntity"], "name": "VOLASERTIB", "xref": ["InChIKey:SXNJFOWDRLKDSF-STROYTFGSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C"], "synonym": ["Volasertib", "Bi-6727", "Volasertib", "BI 6727", "BI-6727", "BI6727", "Volasertib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL377300", "category": ["biolink:ChemicalEntity"], "name": "BRIVANIB", "xref": ["InChIKey:WCWUXEGQKLTGDX-LLVKDONJSA-N", "SMILES:Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1"], "synonym": ["Brivanib", "Brivanib", "BMS-540215", "Brivanib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270995", "category": ["biolink:ChemicalEntity"], "name": "BRIVANIB ALANINATE", "xref": ["InChIKey:LTEJRLHKIYCEOX-OCCSQVGLSA-N", "SMILES:Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1"], "synonym": ["Brivanib alaninate", "Alaninate de brivanib", "Alaninato de brivanib", "Brivanib alaninate", "Brivanib l-alanine ester", "Brivanib alaninate", "BMS-582664", "BMS-582664-02", "Brivanib alaninate"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL290352", "category": ["biolink:ChemicalEntity"], "name": "CEP-1347", "xref": ["InChIKey:SCMLRESZJCKCTC-KMYQRJGFSA-N", "SMILES:CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O"], "synonym": ["3,9-bis((ethylthio)methyl)-k-252a", "Cep-1347", "KT-1575", "KT-7515", "KT7515"]}
{"name": "Mitogen-activated protein kinase kinase kinase 11", "xref": ["CHEMBL.TARGET:CHEMBL2708"], "id": "UniProtKB:Q16584", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase kinase kinase 10", "xref": ["CHEMBL.TARGET:CHEMBL2873"], "id": "UniProtKB:Q02779", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase kinase kinase 9", "xref": ["CHEMBL.TARGET:CHEMBL2872"], "id": "UniProtKB:P80192", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase kinase kinase 13", "xref": ["CHEMBL.TARGET:CHEMBL1163124"], "id": "UniProtKB:O43283", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase kinase kinase 12", "xref": ["CHEMBL.TARGET:CHEMBL1908389"], "id": "UniProtKB:Q12852", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603469", "category": ["biolink:ChemicalEntity"], "name": "LESTAURTINIB", "xref": ["InChIKey:UIARLYUEJFELEN-LROUJFHJSA-N", "SMILES:C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O"], "synonym": ["Lestaurtinib", "Lestaurtinib", "A-154475", "A-154475.0", "CEP-701", "KT-555", "KT-5555", "KT5555", "SP-924", "SP924", "SPM-924", "Lestaurtinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL545315", "category": ["biolink:ChemicalEntity"], "name": "CANERTINIB DIHYDROCHLORIDE", "xref": ["InChIKey:JZZFDCXSFTVOJY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1.Cl.Cl"], "synonym": ["Canertinib dihydrochloride", "Canertinib dihydrochloride", "Canertinib hydrochloride", "CI-1033", "PD-0183805", "PD-0183805-002B", "PD-183805", "SN-26606", "Canertinib dihydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078178", "category": ["biolink:ChemicalEntity"], "name": "MOMELOTINIB", "xref": ["InChIKey:ZVHNDZWQTBEVRY-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"], "synonym": ["Momelotinib", "Momelotinib", "Cyt-387", "Momelotinib", "CYT-0387", "CYT-11387", "CYT-387", "CYT387", "GS-0387", "Momelotinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1088752", "category": ["biolink:ChemicalEntity"], "name": "LOSMAPIMOD", "xref": ["InChIKey:KKYABQBFGDZVNQ-UHFFFAOYSA-N", "SMILES:Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1"], "synonym": ["Losmapimod", "Gw-856553", "Gw856553", "Losmapimod", "FTX-1821", "FTX1821", "GSK-AHAB", "GSKAHAB", "GW-856553X", "GW856553X", "Losmapimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545413", "category": ["biolink:ChemicalEntity"], "name": "FLUMATINIB", "xref": ["InChIKey:BJCJYEYYYGBROF-UHFFFAOYSA-N", "SMILES:Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1"], "synonym": ["Flumbatinib", "Flumatinib", "Hhgv-678", "HH-GV678", "Flumatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180022", "category": ["biolink:ChemicalEntity"], "name": "NERATINIB", "xref": ["InChIKey:JWNPDZNEKVCWMY-VQHVLOKHSA-N", "SMILES:CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C"], "synonym": ["Neratinib", "Neratinib", "Neratinib", "Neratinib", "CDP-820", "HKI-272", "WAY-179272", "Neratinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL428690", "category": ["biolink:ChemicalEntity"], "name": "ALVOCIDIB", "xref": ["InChIKey:BIIVYFLTOXDAOV-YVEFUNNKSA-N", "SMILES:CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1"], "synonym": ["Alvocidib", "Flavopiridol", "Alvocidib", "Alvocidib freebase", "HL 275", "HL-275", "HMR 1275", "HMR-1275", "L 86 8275", "L-868275", "L86-8275", "MDL 107,826A", "MDL-107826A", "NSC-649890", "Alvocidib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105759", "category": ["biolink:ChemicalEntity"], "name": "BARICITINIB", "xref": ["InChIKey:XUZMWHLSFXCVMG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1"], "synonym": ["Baricitinib", "Baricitinib", "Baricitinib", "Baricitinib", "Baricitinib", "Baricitinib", "Baricitinib", "Baricitinib", "Baricitinib phosphate", "Baricitinib phosphate salt", "Incb-28050", "INCB-028050", "INCB028050", "LY-3009104", "LY3009104", "Olumiant", "Baricitinib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1289494", "category": ["biolink:ChemicalEntity"], "name": "TIVOZANIB", "xref": ["InChIKey:SPMVMDHWKHCIDT-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC"], "synonym": ["Tivozanib", "Tivozanib", "Tivozanib", "Krn-951", "Tivozanib", "ASP-4130", "AV-951", "KIL8951", "KRN-951", "Kil-8951", "Tivozanib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545110", "category": ["biolink:ChemicalEntity"], "name": "RIBOCICLIB", "xref": ["InChIKey:RHXHGRAEPCAFML-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1"], "synonym": ["Ribociclib", "Ribociclib", "Ribociclib", "Lee-011", "Ribociclib", "LEE-011", "LEE-011A", "LEE011", "LEE011A", "NVP-LEE011", "Ribociclib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301612", "category": ["biolink:ChemicalEntity"], "name": "ENCORAFENIB", "xref": ["InChIKey:CMJCXYNUCSMDBY-ZDUSSCGKSA-N", "SMILES:COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1"], "synonym": ["Encorafenib", "Encorafenib", "Encorafenib", "Encorafenib", "Encorafenib", "Encorafenib", "Encorafenib", "Lgx-818", "Lgx818", "NVP-LGX-818-NXA", "NVP-LGX818", "NVP-LGX818-NXA", "Braftovi", "Encorafenib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL300138", "category": ["biolink:ChemicalEntity"], "name": "ENZASTAURIN", "xref": ["InChIKey:AXRCEOKUDYDWLF-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21"], "synonym": ["Enzastaurin", "Enzastaurine", "Enzastaurina", "Enzastaurin", "Enzastaurin", "Ly-317615", "DB-102", "DB102", "LY-317615", "LY317615", "Kinenza", "Enzastaurin"], "chembl_natural_product": true}
{"name": "Protein kinase C beta type", "xref": ["CHEMBL.TARGET:CHEMBL3045"], "id": "UniProtKB:P05771", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91829", "category": ["biolink:ChemicalEntity"], "name": "RUBOXISTAURIN", "xref": ["InChIKey:ZCBUQCWBWNUWSU-SFHVURJKSA-N", "SMILES:CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1"], "synonym": ["Ruboxistaurin", "Ruboxistaurine", "Ruboxistaurina", "Ruboxistaurin", "Ly-333531", "Ruboxistaurin", "Arxxant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3187723", "category": ["biolink:ChemicalEntity"], "name": "BINIMETINIB", "xref": ["InChIKey:ACWZRVQXLIRSDF-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21"], "synonym": ["Binimetinib", "Binimetinib", "Binimetinib", "Binimetinib", "Binimetinib", "Binimetinib", "Binimetinib", "Binimetinib", "Mek-162", "ARRY 438162", "ARRY-162", "ARRY-438162", "MEK-162", "MEK162", "NVP-MEK162", "Mektovi", "Binimetinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103840", "category": ["biolink:ChemicalEntity"], "name": "DINACICLIB", "xref": ["InChIKey:PIMQWRZWLQKKBJ-SFHVURJKSA-N", "SMILES:CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12"], "synonym": ["Dinaciclib", "Dinaciclib", "Mk-7965", "SCH 727965", "SCH-727965", "SCH727965", "Dinaciclib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483158", "category": ["biolink:ChemicalEntity"], "name": "ALISERTIB", "xref": ["InChIKey:ZLHFILGSQDJULK-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O"], "synonym": ["Alisertib", "Alisertib", "Mln-8237", "MLN 8237", "MLN-8237", "MLN8237", "Alisertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091644", "category": ["biolink:ChemicalEntity"], "name": "LINSITINIB", "xref": ["InChIKey:PKCDDUHJAFVJJB-VLZXCDOPSA-N", "SMILES:C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1"], "synonym": ["Linsitinib", "Linsitinib", "ASP-7487", "OSI-906", "OSI-906AA", "Linsitinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105719", "category": ["biolink:ChemicalEntity"], "name": "DACOMITINIB", "xref": ["InChIKey:BSPLGGCPNTZPIH-IPZCTEOASA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1.O"], "synonym": ["Dacomitinib", "Dacomitinib", "Dacomitinib monohydrate", "Dacomitinib", "Dacomitinib", "Dacomitinib hydrate", "Dacomitinib", "Dacomitinib monohydrate", "PF-00299804-03", "Vizimpro", "Dacomitinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL608533", "category": ["biolink:ChemicalEntity"], "name": "MIDOSTAURIN", "xref": ["InChIKey:BMGQWWVMWDBQGC-IIFHNQTCSA-N", "SMILES:CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "synonym": ["Midostaurin", "Midostaurin", "Midostaurin", "Midostaurin", "Midostaurin", "Midostaurine", "Midostaurina", "Midostaurin", "Midostaurin", "N-benzoylstaurosporine", "Pkc-412", "CGP 41251", "CGP-41251", "NSC-656576", "NVP-PKC412", "PKC 412", "PKC-412", "Rydapt", "Midostaurin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL101253", "category": ["biolink:ChemicalEntity"], "name": "VATALANIB", "xref": ["InChIKey:YCOYDOIWSSHVCK-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1"], "synonym": ["Vatalanib", "Vatalanib", "Vatalanib succinate", "Ptk-787", "Vatalanib", "Vatalanib succinate", "BAY-86-5127", "CGP-79787", "K-222584", "NVP-PTK787", "PTK787", "ZK-222584", "ZK222584", "Vatalanib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103830", "category": ["biolink:ChemicalEntity"], "name": "FOSTAMATINIB", "xref": ["InChIKey:GKDRMWXFWHEQQT-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC"], "synonym": ["Fostamatinib", "Fostamatinib", "Fostamatinib", "Fostamatinib", "R-788", "R-788 FREE ACID", "R-935788", "R-935788 FREE ACID", "R788 FREE ACID", "R935788 FREE ACID", "Fostamatinib"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2146883", "category": ["biolink:ChemicalEntity"], "name": "COBIMETINIB", "xref": ["InChIKey:BSMCAPRUBJMWDF-KRWDZBQOSA-N", "SMILES:O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1"], "synonym": ["Cobimetinib", "Cobimetinib", "Cobimetinib", "Cobimetinib", "Cobimetinib", "Gdc 0623", "Gdc 0973", "Gdc-0623", "Xl 518", "Xl518", "GDC-0973", "RG 7420", "RG-7420", "RG7420", "Cobimetinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1287853", "category": ["biolink:ChemicalEntity"], "name": "FEDRATINIB", "xref": ["InChIKey:JOOXLOJCABQBSG-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"], "synonym": ["Fedratinib", "Fedratinib", "Fedratinib", "Fedratinib", "Sar-302503", "SAR-302503", "SAR302503", "TG-101348", "TG101348", "Fedratinib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2035187", "category": ["biolink:ChemicalEntity"], "name": "PACRITINIB", "xref": ["InChIKey:HWXVIOGONBBTBY-ONEGZZNKSA-N", "SMILES:C1=N/C2=N/c3ccc(OCCN4CCCC4)c(c3)COC/C=C/COCc3cccc(c3)C(=C1)N2"], "synonym": ["Pacritinib", "Pacritinib", "Pacritinib", "Sb-1518", "ONX-0803", "SB-1518", "SB1518", "Pacritinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545235", "category": ["biolink:ChemicalEntity"], "name": "SIMOTINIB", "xref": ["InChIKey:OXWUWXCJDBRCCG-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CC2)C2(C1)OCCO2"], "synonym": ["Sim-6802", "Simotinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276711", "category": ["biolink:ChemicalEntity"], "name": "SEMAXANIB", "xref": ["InChIKey:WUWDLXZGHZSWQZ-WQLSENKSSA-N", "SMILES:Cc1cc(C)c(/C=C2\\C(=O)Nc3ccccc32)[nH]1"], "synonym": ["Semaxanib", "Semaxanib", "Semaxinib", "Su-5416", "NSC-696819", "SU-5416", "SU005416", "SU5416", "Semaxanib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL274654", "category": ["biolink:ChemicalEntity"], "name": "ORANTINIB", "xref": ["InChIKey:NHFDRBXTEDBWCZ-ZROIWOOFSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O"], "synonym": ["Orantinib", "Orantinib", "Su-6668", "Su006668", "NSC-702827", "SU-006668", "SU-6668", "TSU-68"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL522892", "category": ["biolink:ChemicalEntity"], "name": "DOVITINIB", "xref": ["InChIKey:PIQCTGMSNWUMAF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1"], "synonym": ["Dovitinib", "Dovitinib", "Tki-258", "CHIR-258", "GFKI-258", "NVP-TKI258", "TKI-258"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545414", "category": ["biolink:ChemicalEntity"], "name": "RIVOCERANIB MESYLATE", "xref": ["InChIKey:FYJROXRIVQPKRY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1"], "synonym": ["Apatinib mesylate", "Rivoceranib mesylate", "Yn-968d1", "Apatinib (registered name in China)", "YN-968D1", "Aitan", "Rivoceranib mesylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405821", "category": ["biolink:ChemicalEntity"], "name": "SENICAPOC", "xref": ["InChIKey:SCTZUZTYRMOMKT-UHFFFAOYSA-N", "SMILES:NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1"], "synonym": ["Senicapoc", "Senicapoc", "ICA-17043", "PF-05416266", "Senicapoc"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1208155", "category": ["biolink:ChemicalEntity"], "name": "ELAGOLIX", "xref": ["InChIKey:HEAUOKZIVMZVQL-VWLOTQADSA-N", "SMILES:COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F"], "synonym": ["Elagolix", "Elagolix", "Elagolix", "Elagolix", "NBI-56418", "Elagolix"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1628688", "category": ["biolink:ChemicalEntity"], "name": "ZIBOTENTAN", "xref": ["InChIKey:FJHHZXWJVIEFGJ-UHFFFAOYSA-N", "SMILES:COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1"], "synonym": ["Zibotentan", "Zibotentan", "Zibotentan", "Zibotentan", "ZD-4054", "ZD4054", "Zibotentan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1668019", "category": ["biolink:ChemicalEntity"], "name": "APLAVIROC HYDROCHLORIDE", "xref": ["InChIKey:QNNBMSGFNQRUEH-PQQSRXGVSA-N", "SMILES:CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2.Cl"], "synonym": ["Aplaviroc hydrochloride", "Aplaviroc hcl", "Aplaviroc hydrochloride", "GW-873140A", "GW873140A", "Aplaviroc hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672054", "category": ["biolink:ChemicalEntity"], "name": "CASOPITANT", "xref": ["InChIKey:XGGTZCKQRWXCHW-WMTVXVAQSA-N", "SMILES:CC(=O)N1CCN([C@H]2CCN(C(=O)N(C)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1"], "synonym": ["Casopitant", "Casopitant", "Casopitant", "Gw679769", "GW-679769", "GW679769", "Rezonic", "Zunrisa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191413", "category": ["biolink:ChemicalEntity"], "name": "REPARIXIN", "xref": ["InChIKey:KQDRVXQXKZXMHP-LLVKDONJSA-N", "SMILES:CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1"], "synonym": ["Reparixin", "Reparixine", "Reparixina", "Df-1681y", "Reparixin", "Repertaxin", "DF 1681Y", "DF-1681Y", "DF1681Y", "Reparixin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1923502", "category": ["biolink:ChemicalEntity"], "name": "ULIMORELIN HYDROCHLORIDE", "xref": ["InChIKey:ZWIXEQBDJMFCMN-DHHNQDMHSA-N", "SMILES:C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1.Cl.O"], "synonym": ["Ulimorelin hydrochloride monohydrate", "Ulimorelin hydrochloride", "Ulimorelin hydrochloride monohydrate", "TZP-101", "Ulimorelin hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950554", "category": ["biolink:ChemicalEntity"], "name": "BINODENOSON", "xref": ["InChIKey:XJFMHMFFBSOEPR-DNZQAUTHSA-N", "SMILES:Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "synonym": ["Binodenoson", "Binodenoson", "Binodenoson", "Binodenoson", "Wrc0470", "MRE-0470", "MRE0470", "Corvue", "Binodenoson"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1950649", "category": ["biolink:ChemicalEntity"], "name": "APADENOSON", "xref": ["InChIKey:FLEVIENZILQUKB-XTWQNQIISA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@H](C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O"], "synonym": ["Apadenoson", "Apadenoson", "Bms-068645", "BMS-068645", "BMS068645", "DWH-146E", "Stedivaze", "Apadenoson"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL209821", "category": ["biolink:ChemicalEntity"], "name": "NALUZOTAN", "xref": ["InChIKey:SPWZXWDPAWDKQE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1"], "synonym": ["Naluzotan", "Naluzotan", "PRX-00023", "Naluzotan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103794", "category": ["biolink:ChemicalEntity"], "name": "ANAMORELIN HYDROCHLORIDE", "xref": ["InChIKey:VFYAEUWJFGTGGO-GHTUPXNNSA-N", "SMILES:CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1.Cl"], "synonym": ["Anamorelin hydrochloride", "Anamorelin hydrochloride", "Anamorelin hcl", "Anamorelin hydrochloride", "Ono-7643", "RC-1291 HCl", "Anamorelin hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562668", "category": ["biolink:ChemicalEntity"], "name": "OTENABANT", "xref": ["InChIKey:UNAZAADNBYXMIV-UHFFFAOYSA-N", "SMILES:CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1"], "synonym": ["Otenabant", "Cp-945598", "Otenabant", "CP-945,598", "CP-945598", "CP-945598-01", "Otenabant", "Otenabant hydrochloride"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105747", "category": ["biolink:ChemicalEntity"], "name": "TOZADENANT", "xref": ["InChIKey:XNBRWUQWSKXMPW-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12"], "synonym": ["Tozadenant", "Tozadenant", "A-2A (3)", "A2A (3)", "A2A-(3)", "RO-4494351", "RO-4494351-000", "RO-4494351-002", "RO-4494351000", "RO4494351", "RO4494351-000", "RO4494351-002", "SYN-115", "SYN115", "Tozadenant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105755", "category": ["biolink:ChemicalEntity"], "name": "NALDEMEDINE", "xref": ["InChIKey:AXQACEQYCPKDMV-RZAWKFBISA-N", "SMILES:CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1"], "synonym": ["Naldemedine", "Naldemedine", "Naldemedina", "Naldemedine", "Naldemedine", "S-297995", "S-297995", "Naldemedine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107339", "category": ["biolink:ChemicalEntity"], "name": "ESMIRTAZAPINE MALEATE", "xref": ["InChIKey:RPUBHMMISKEXSR-MLCLTIQSSA-N", "SMILES:CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Esmirtazapine maleate", "Mirtazapine maleate, (s)-", "Org-50081", "ORG 50081", "ORG-50081", "Esmirtazapine maleate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107349", "category": ["biolink:ChemicalEntity"], "name": "LECOZOTAN HYDROCHLORIDE", "xref": ["InChIKey:GXYZREDEYDFJPT-ZMBIFBSDSA-N", "SMILES:C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1.Cl"], "synonym": ["Lecozotan hcl", "Lecozotan hydrochloride", "SRA-333", "Lecozotan hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107384", "category": ["biolink:ChemicalEntity"], "name": "VICRIVIROC MALEATE", "xref": ["InChIKey:GXINKQQWHLIBJA-UCIBKFKQSA-N", "SMILES:COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C.O=C(O)/C=C\\C(=O)O"], "synonym": ["Vicriviroc maleate", "Sch417690", "Vicriviroc maleate", "MK-4176", "SCH 417690", "SCH-417690", "Vicriviroc maleate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110730", "category": ["biolink:ChemicalEntity"], "name": "POMAGLUMETAD METHIONIL ANHYDROUS", "xref": ["InChIKey:VOYCNOJFAJAILW-CAMHOICYSA-N", "SMILES:CSCC[C@H](N)C(=O)N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21"], "synonym": ["Ly2140023", "Pomaglumetad methionil anhydrous", "LY-2140023", "LY2140023"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2146110", "category": ["biolink:ChemicalEntity"], "name": "SARIZOTAN HYDROCHLORIDE", "xref": ["InChIKey:QDLVYMYXOLGZOD-ZMBIFBSDSA-N", "SMILES:Cl.Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1"], "synonym": ["Emd128130", "Sarizotan hcl", "Sarizotan hydrochloride", "EMD 128130", "EMD-128130", "Sarizotan hydrochloride"]}
{"name": "D(4) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL219"], "id": "UniProtKB:P21917", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178578", "category": ["biolink:ChemicalEntity"], "name": "VERCIRNON", "xref": ["InChIKey:JRWROCIMSDXGOZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1"], "synonym": ["Vercirnon", "Vercirnon", "Verecimon", "CCX-282-B", "CCX282", "GSK-1605786", "GSK1605786", "Vercirnon"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220360", "category": ["biolink:ChemicalEntity"], "name": "TARANABANT", "xref": ["InChIKey:QLYKJCMUNUWAGO-GAJHUEQPSA-N", "SMILES:C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1"], "synonym": ["Taranabant", "L-796568", "Mk-0364", "Mk0364", "Taranabant", "MK-0634", "MK0634", "Taranabant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336071", "category": ["biolink:ChemicalEntity"], "name": "SIPONIMOD", "xref": ["InChIKey:KIHYPELVXPAIDH-HNSNBQBZSA-N", "SMILES:CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1"], "synonym": ["Siponimod", "Siponimod", "Siponimod", "Siponimod", "Baf312", "Siponimod", "BAF-312", "BAF312", "NVP-BAF312-NX", "Mayzent", "Siponimod"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2364612", "category": ["biolink:ChemicalEntity"], "name": "LATANOPROSTENE BUNOD", "xref": ["InChIKey:LOVMMUBRQUFEAH-UIEAZXIASA-N", "SMILES:O=C(CCC/C=C\\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)OCCCCO[N+](=O)[O-]"], "synonym": ["Latanoprostene bunod", "Latanoprostene bunod", "Latanoprostene bunod", "Latanoprosteno bunod", "Latanoprostene bunod", "Bol-303259-x", "Latanoprostene bunod", "BOL-303259-X", "NCX 116", "NCX-116", "NCX116", "PF-3187207", "Vesneo", "Vyzulta", "Latanoprostene bunod"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL236593", "category": ["biolink:ChemicalEntity"], "name": "TELCAGEPANT", "xref": ["InChIKey:CGDZXLJGHVKVIE-DNVCBOLYSA-N", "SMILES:O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1"], "synonym": ["Telcagepant", "Telcagepant", "Mk-0974", "Telcagepant", "MK-0974", "MK0974", "Telcagepant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240624", "category": ["biolink:ChemicalEntity"], "name": "PRELADENANT", "xref": ["InChIKey:DTYWJKSSUANMHD-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1"], "synonym": ["Preladenant", "Preladenant", "Sch-420814", "MK-3814", "SCH 420814", "SCH-420814", "Preladenant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL278623", "category": ["biolink:ChemicalEntity"], "name": "MACIMORELIN", "xref": ["InChIKey:UJVDJAPJQWZRFR-DHIUTWEWSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O"], "synonym": ["Macimorelin", "Macimorelin", "Macimoreline", "Macimorelina", "Macimorelin", "Ard-07", "Macimorelin", "AEZS-130", "ARD-07", "ARD07", "EP-01572", "EP-1572", "EP01572", "EP1572", "JMV 1843", "JMV-1843", "Macrilen", "Solorel", "Macimorelin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039511", "category": ["biolink:ChemicalEntity"], "name": "BEVENOPRAN", "xref": ["InChIKey:ZGCYVRNZWGUXNQ-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCC2CCOCC2)ccc1Oc1cnc(C(N)=O)cn1"], "synonym": ["Bevenopran", "Bevenopran", "ADL-5945", "ADL5945", "CB-5945", "CB5-945", "CB5945", "Bevenopran"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3137314", "category": ["biolink:ChemicalEntity"], "name": "ESUBERAPROST", "xref": ["InChIKey:CTPOHARTNNSRSR-NOQAJONNSA-N", "SMILES:CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O"], "synonym": ["Esuberaprost", "Aps-314d", "Aps-314d free acid", "Esuberaprost", "BPS-314d", "Esuberaprost"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286580", "category": ["biolink:ChemicalEntity"], "name": "IDALOPIRDINE", "xref": ["InChIKey:YBAWYTYNMZWMMJ-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1"], "synonym": ["Idalopirdine", "Idalopirdina", "Idalopirdine", "Lu-ae58054", "LU AE-58054", "LU-AE-58054", "LU-AE58054", "LY-483518", "LY483518", "Lu AE58054", "SGS-518", "SGS518", "Idalopirdine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414157", "category": ["biolink:ChemicalEntity"], "name": "TONAPOFYLLINE", "xref": ["InChIKey:ZWTVVWUOTJRXKM-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O"], "synonym": ["Tonapofylline", "Tonapofilina", "Tonapofylline", "BG-9928", "BG9928", "Tonapofylline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL462605", "category": ["biolink:ChemicalEntity"], "name": "PITOLISANT", "xref": ["InChIKey:NNACHAUCXXVJSP-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCCOCCCN2CCCCC2)cc1"], "synonym": ["Pitolisant", "Pitolisant", "Pitolisant", "Bf2.649", "Pitolisant", "Tiprolisant", "BF-2.649", "BF-2649", "BF2.649", "HBS-101", "Wakix", "Wakix, europe", "Pitolisant"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL482950", "category": ["biolink:ChemicalEntity"], "name": "PEXACERFONT", "xref": ["InChIKey:LBWQSAZEYIZZCE-SNVBAGLBSA-N", "SMILES:CC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12"], "synonym": ["Pexacerfont", "Bms562086", "Dpc-a69448", "Pexacerfont", "BMS-562086", "CRF1 ANTAGONIST", "Pexacerfont"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL52333", "category": ["biolink:ChemicalEntity"], "name": "ROLOFYLLINE", "xref": ["InChIKey:PJBFVWGQFLYWCB-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCC)c1=O"], "synonym": ["Rolofylline", "Rolofyllina", "Rolofylline", "KW 3902", "KW-3902", "KW3902", "MK-7418", "Rolofylline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL545437", "category": ["biolink:ChemicalEntity"], "name": "AMIBEGRON HYDROCHLORIDE", "xref": ["InChIKey:NQIZCDQCNYCVAS-RQBPZYBGSA-N", "SMILES:CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2.Cl"], "synonym": ["Amibegron hcl", "Sr-58611a", "SR58611A", "Amibegron hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106068", "category": ["biolink:ChemicalEntity"], "name": "ATRASENTAN HYDROCHLORIDE", "xref": ["InChIKey:IJFUJIFSUKPWCZ-SQMFDTLJSA-N", "SMILES:CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl"], "synonym": ["Atrasentan hydrochloride", "Atrasentan hcl", "Atrasentan hydrochloride", "A-127722", "A-147627.1", "ABBOT-147627", "ABT-627", "Atrasentan hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989873", "category": ["biolink:ChemicalEntity"], "name": "PICLIDENOSON", "xref": ["InChIKey:JTZRECOPNKCRTE-MOROJQBDSA-N", "SMILES:CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(I)cc4)ncnc32)[C@H](O)[C@@H]1O"], "synonym": ["Piclidenoson", "Cf101", "Piclidenoson", "ALB-7208", "CF-101", "CF101", "IB-MECA", "Piclidenoson"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2364605", "category": ["biolink:ChemicalEntity"], "name": "CEBRANOPADOL", "xref": ["InChIKey:CSMVOZKEWSOFER-RQNOJGIXSA-N", "SMILES:CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12"], "synonym": ["Cebranopadol", "Cebranopadol", "GRT-6005", "GRT6005", "Cebranopadol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448613", "category": ["biolink:ChemicalEntity"], "name": "PIMAVANSERIN TARTRATE", "xref": ["InChIKey:RGSULKHNAKTFIZ-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Pimavanserin tartrate", "Pimavanserin tartrate", "Pimavanserin tartrate", "ACP-103", "Nuplazid", "Pimavanserin tartrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL266125", "category": ["biolink:ChemicalEntity"], "name": "IBODUTANT", "xref": ["InChIKey:YQYSVMKCMIUCHY-WJOKGBTCSA-N", "SMILES:Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1"], "synonym": ["Ibodutant", "Ibodutant", "Men15596"], "chembl_natural_product": true}
{"name": "Substance-K receptor", "xref": ["CHEMBL.TARGET:CHEMBL2327"], "id": "UniProtKB:P21452", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74355", "category": ["biolink:ChemicalEntity"], "name": "VOLINANSERIN", "xref": ["InChIKey:HXTGXYRHXAGCFP-OAQYLSRUSA-N", "SMILES:COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC"], "synonym": ["Volinanserin", "Volinanserine", "Volinanserina", "Mdl-100907", "Volinanserin", "M-100907", "M100907", "MDL-100.907", "MDL-100907", "MDL100.907"]}
{"id": "CHEMBL.COMPOUND:CHEMBL61780", "category": ["biolink:ChemicalEntity"], "name": "TEZOSENTAN", "xref": ["InChIKey:TUYWTLTWNJOZNY-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO"], "synonym": ["Tezosentan", "Tezosentan", "Ro-610612", "Tezosentan", "ACT-050089", "Ro 61-0612", "Veletri"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107786", "category": ["biolink:ChemicalEntity"], "name": "TERUTROBAN", "xref": ["InChIKey:HWEOXFSBSQIWSY-MRXNPFEDSA-N", "SMILES:Cc1ccc2c(c1CCC(=O)O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2"], "synonym": ["Terutroban", "S18886", "Triplion"]}
{"name": "Thromboxane A2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL2069"], "id": "UniProtKB:P21731", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107777", "category": ["biolink:ChemicalEntity"], "name": "SATAVAPTAN", "xref": ["InChIKey:CDSBFDCCJJDFCV-CKZSCMLPSA-N", "SMILES:CCOc1ccc2c(c1)[C@]1(CC[C@H](CCN3CCOCC3)CC1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC"], "synonym": ["Satavaptan", "Satavaptan", "Satavaptan monophosphate", "Satavaptan phosphate", "Sr121463", "SR 121463", "SR 121463A", "SR 121463B", "SR-121463", "SR-121463A", "SR-121463B", "SR121463B", "SR121463F", "Aquilda"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989834", "category": ["biolink:ChemicalEntity"], "name": "AVOSENTAN", "xref": ["InChIKey:YBWLTKFZAOSWSM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC"], "synonym": ["Avosentan", "Avosentan", "Ro670565", "RO 67-0565", "RO-67-0565", "SPP-301", "SPP301"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107773", "category": ["biolink:ChemicalEntity"], "name": "RITOBEGRON", "xref": ["InChIKey:VMMYRRFPMAGXNP-BTYIYWSLSA-N", "SMILES:Cc1cc(OCC(=O)O)c(C)cc1CCN[C@@H](C)[C@H](O)c1ccc(O)cc1"], "synonym": ["Ritobegron", "Kuc-7483", "Ritobegron", "KUC-7483"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989686", "category": ["biolink:ChemicalEntity"], "name": "IFERANSERIN", "xref": ["InChIKey:UXIPFQUBOVWAQW-UEBLJOKOSA-N", "SMILES:CN1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1"], "synonym": ["Iferanserin", "Iferanserine", "Iferanserina", "Iferanserin", "S-mpec", "Ven-309"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL109648", "category": ["biolink:ChemicalEntity"], "name": "CLAZOSENTAN", "xref": ["InChIKey:LFWCJABOXHSRGC-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO"], "synonym": ["Clazosentan", "Clazosentan", "Clazosentan", "Axv-034", "Clazosentan", "ACT-108475", "AXV-034343", "AXV-343434", "RO-61-1790", "Ro 61-1790", "VML-588", "Pivlaz", "Clazosentan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL506981", "category": ["biolink:ChemicalEntity"], "name": "REMINERTANT", "xref": ["InChIKey:DYLJVOXRWLXDIG-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12"], "synonym": ["Meclinertant", "Reminertant", "Sr48692", "SR-48692"], "chembl_natural_product": true}
{"name": "Neurotensin receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL4123"], "id": "UniProtKB:P30989", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742408", "category": ["biolink:ChemicalEntity"], "name": "OSEMOZOTAN", "xref": ["InChIKey:MEEQBDCQPIZMLY-HNNXBMFYSA-N", "SMILES:c1ccc2c(c1)OC[C@H](CNCCCOc1ccc3c(c1)OCO3)O2"], "synonym": ["Osemozotan", "Mkc-242", "MN-305"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49429", "category": ["biolink:ChemicalEntity"], "name": "LIXIVAPTAN", "xref": ["InChIKey:PPHTXRNHTVLQED-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1"], "synonym": ["Lixivaptan", "Lixivaptan", "Lixivaptan", "Vpa-985", "CRTX 080", "CRTX-080", "CRTX080", "VPA 985", "VPA-985", "VPA985", "WAY-VPA-985", "Lixar", "Lixivaptan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23261", "category": ["biolink:ChemicalEntity"], "name": "DARUSENTAN", "xref": ["InChIKey:FEJVSJIALLTFRP-LJQANCHMSA-N", "SMILES:COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1"], "synonym": ["Darusentan", "Darusentan", "Darusentan", "Lu-135252", "HMR-4005", "LU-135252"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2070241", "category": ["biolink:ChemicalEntity"], "name": "BREMELANOTIDE", "xref": ["InChIKey:FFHBJDQSGDNCIV-MFVUMRCOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"], "synonym": ["Bremelanotide", "Bremelanotide", "Bremelanotida", "Bremelanotide", "Bremelanotide", "PT-141", "PT-141 FREE BASE", "Bremelanotide", "Bremelanotide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545415", "category": ["biolink:ChemicalEntity"], "name": "SMC021", "synonym": ["Smc021"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545184", "category": ["biolink:ChemicalEntity"], "name": "ETELCALCETIDE", "xref": ["InChIKey:ANIAZGVDEUQPRI-ZJQCGQFWSA-N", "SMILES:CC(=O)N[C@H](CSSC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"], "synonym": ["Etelcalcetide", "Etelcalcetide", "Etelcalcetide", "Etelcalcetida", "Etelcalcetide", "Etelcalcetide", "Telcalcetide", "Velcalcetide", "KAI-4169", "ONO-5163", "Etelcalcetide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107860", "category": ["biolink:ChemicalEntity"], "name": "TASPOGLUTIDE", "synonym": ["Taspoglutide", "Taspoglutida", "Taspoglutide", "Taspoglutide", "BIM-51077", "BIM51077", "R-1583", "R1583", "RO-5073031", "RO5073031", "Taspoglutide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108358", "category": ["biolink:ChemicalEntity"], "name": "SERELAXIN", "synonym": ["Serelaxin", "Serelaxin", "Serelaxine", "Serelaxina", "Serelaxin", "Human relaxin 2 (relaxin h2)", "Human relaxin recombinant", "Recombinant human relaxin", "Serelaxin", "RLX-030", "RLX030", "Serelaxin"]}
{"name": "Relaxin receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1293316"], "id": "UniProtKB:Q9HBX9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Relaxin receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL1628482"], "id": "UniProtKB:Q8WXD0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108724", "category": ["biolink:ChemicalEntity"], "name": "SEMAGLUTIDE", "synonym": ["Semaglutide", "Semaglutide", "Semaglutide", "Semaglutide", "Semaglutide", "Semaglutida", "Semaglutide", "Semaglutide", "Nn9535", "Semaglutide", "NN-9535", "NN9535", "NNC 0113-0217", "NNC-0113-0217", "Ozempic", "Rybelsus", "Semaglutide component of cagrisema", "Semaglutide component of nn1535 icosema", "Semaglutide component of nn1535 laisema", "Wegovy", "Semaglutide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3349523", "category": ["biolink:ChemicalEntity"], "name": "VAPREOTIDE", "xref": ["InChIKey:SWXOGPJRIDTIRL-DOUNNPEJSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O"], "synonym": ["Vapreotide", "Vapreotide", "Vapreotide", "Vapreotida", "Vapreotide", "Vapreotide", "BMY-41606", "RC-160", "Vapreotide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544954", "category": ["biolink:ChemicalEntity"], "name": "ZOPTARELIN DOXORUBICIN", "xref": ["InChIKey:OOUACICUAVTCEC-LZHWUUGESA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"], "synonym": ["Zoptarelin doxorubicin", "Zoptareline doxorubicine", "Zoptarelina doxorubicina", "Aezs-108", "Zoptarelin doxorubicin", "AN-152", "Zoptarelin doxorubicin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108312", "category": ["biolink:ChemicalEntity"], "name": "OZARELIX", "synonym": ["Ozarelix", "D63153", "Ozarelix", "D-63153"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596802", "category": ["biolink:ChemicalEntity"], "name": "PRIDOPIDINE", "xref": ["InChIKey:YGKUEOZJFIXDGI-UHFFFAOYSA-N", "SMILES:CCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1"], "synonym": ["Pridopidine", "Pridopidina", "Pridopidine", "Pridopidine", "ACR-16", "ACR16", "FR-310826", "FR310826", "Huntexil", "Pridopidine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2151572", "category": ["biolink:ChemicalEntity"], "name": "ENCENICLINE", "xref": ["InChIKey:SSRDSYXGYPJKRR-ZDUSSCGKSA-N", "SMILES:O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1"], "synonym": ["Encenicline", "Enceniclina", "Encenicline", "Evp-6124", "EVP-6124", "MT-4666", "MT4666", "Encenicline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107771", "category": ["biolink:ChemicalEntity"], "name": "RALFINAMIDE", "xref": ["InChIKey:BHJIBOFHEFDSAU-LBPRGKRZSA-N", "SMILES:C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O"], "synonym": ["Priralfinamide", "Priralfinamida", "Nw-1029", "Ralfinamide", "FCE-26742A", "NW1029", "PNU-0154339E"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103881", "category": ["biolink:ChemicalEntity"], "name": "DEXMECAMYLAMINE", "xref": ["InChIKey:IMYZQPCYWPFTAG-NGZCFLSTSA-N", "SMILES:CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C"], "synonym": ["Dexmecamylamine", "Dexmecamilamina", "Dexmecamylamine", "Tc-5214", "NIH-11008", "TC-5214", "Dexmecamylamine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL266510", "category": ["biolink:ChemicalEntity"], "name": "FLINDOKALNER", "xref": ["InChIKey:ULYONBAOIMCNEH-HNNXBMFYSA-N", "SMILES:COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21"], "synonym": ["Flindokalner", "BMS-204352", "BMS-204352-01", "Maxipost", "Flindokalner"]}
{"name": "Potassium voltage-gated channel subfamily KQT member 5", "xref": ["CHEMBL.TARGET:CHEMBL2925"], "id": "UniProtKB:Q9NR82", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily KQT member 4", "xref": ["CHEMBL.TARGET:CHEMBL3576"], "id": "UniProtKB:P56696", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily KQT member 2", "xref": ["CHEMBL.TARGET:CHEMBL2476"], "id": "UniProtKB:O43526", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2221348", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3)"}
{"id": "CHEMBL.TARGET:CHEMBL3707192", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-gated potassium channel KCNQ3/KCNQ4"}
{"id": "CHEMBL.COMPOUND:CHEMBL2386081", "category": ["biolink:ChemicalEntity"], "name": "SETIPIPRANT", "xref": ["InChIKey:IHAXLPDVOWLUOS-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2"], "synonym": ["Setipiprant", "Setipiprant", "ACT-129968", "KYTH-105", "Setipiprant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545043", "category": ["biolink:ChemicalEntity"], "name": "ASAPIPRANT", "xref": ["InChIKey:ZMZNWNTZRWXTJU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ncco4)c(OCC(=O)O)c3)CC2)cc1"], "synonym": ["Asapiprant", "Asapiprant", "Bge 175", "Bge-175", "BGE175", "S-555739"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572881", "category": ["biolink:ChemicalEntity"], "name": "MOTESANIB", "xref": ["InChIKey:RAHBGWKEPAQNFF-UHFFFAOYSA-N", "SMILES:CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21"], "synonym": ["Motesanib", "Motesanib", "Motesanib", "AMG 706", "AMG-706", "Motesanib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3306803", "category": ["biolink:ChemicalEntity"], "name": "LUMATEPERONE", "xref": ["InChIKey:HOIIHACBCFLJET-SFTDATJTSA-N", "SMILES:CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12"], "synonym": ["Lumateperone", "Lumateperone", "Lumateperona", "Lumateperone", "ITI 007", "ITI-007", "ITI-722", "ITI007", "Lumateperone"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545257", "category": ["biolink:ChemicalEntity"], "name": "MIROGABALIN BESYLATE", "xref": ["InChIKey:OKJXJRVWXYRSAN-TXULWXBWSA-N", "SMILES:CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O.O=S(=O)(O)c1ccccc1"], "synonym": ["Mirogabalin besilate", "Ds-5565", "Mirogabalin besilate", "DS-5565", "DS5565", "Mirogabalin", "Mirogabalin besylate"]}
{"name": "Voltage-dependent calcium channel subunit alpha-2/delta-1", "xref": ["CHEMBL.TARGET:CHEMBL1919"], "id": "UniProtKB:P54289", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent calcium channel subunit alpha-2/delta-2", "xref": ["CHEMBL.TARGET:CHEMBL3896"], "id": "UniProtKB:Q9NY47", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742981", "category": ["biolink:ChemicalEntity"], "name": "ABAGOVOMAB", "synonym": ["Abagovomab", "Abagovomab", "ACA-125", "MEN-2234"]}
{"name": "Mucin-16", "xref": ["CHEMBL.TARGET:CHEMBL3580482"], "id": "UniProtKB:Q8WXI7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742991", "category": ["biolink:ChemicalEntity"], "name": "BENRALIZUMAB", "synonym": ["Benralizumab", "Benralizumab", "Benralizumab", "Benralizumab", "Benralizumab", "Benralizumab", "Benralizumab", "Benralizumab", "BIW-8405", "MEDI-563", "Fasenra", "Benralizumab"], "chembl_availability_type": "prescription only"}
{"name": "Interleukin-5 receptor subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3580483"], "id": "UniProtKB:Q01344", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742995", "category": ["biolink:ChemicalEntity"], "name": "BRIAKINUMAB", "synonym": ["Briakinumab", "Briakinumab", "Briakinumab", "A-796874.0", "ABT-874", "BSF 415977", "BSF-415977", "J-695", "J-695 BSF-415977 LU-415977 WAY-165772 A-796874.0", "J695", "LU 415977", "LU-415977", "WAY-165772", "Ozespa", "Briakinumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742996", "category": ["biolink:ChemicalEntity"], "name": "BRODALUMAB", "synonym": ["Brodalumab", "Brodalumab", "Brodalumab", "Brodalumab", "Brodalumab", "Brodalumab", "Brodalumab", "Brodalumab", "AMG 827", "AMG-827", "KHK-4827", "KHK4827", "Kyntheum", "Siliq", "Brodalumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Interleukin-17 receptor A", "xref": ["CHEMBL.TARGET:CHEMBL3580485"], "id": "UniProtKB:Q96F46", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743009", "category": ["biolink:ChemicalEntity"], "name": "EFUNGUMAB", "synonym": ["Efungumab", "Efungumab", "HSP-90MAB", "HSP90MAB", "MYC-123", "MYC-123A", "MYC-123A MYC-123B MYC-124 HSP90MAB", "MYC-123B", "MYC-124", "MYC123", "MYC123A", "MYC123B", "MYC124", "Mycograb", "Efungumab"]}
{"name": "Heat shock protein 90 homolog", "xref": ["CHEMBL.TARGET:CHEMBL3580503"], "id": "UniProtKB:P46598", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743015", "category": ["biolink:ChemicalEntity"], "name": "ETROLIZUMAB", "synonym": ["Etrolizumab", "Anti-.beta.7", "Etrolizumab", "Rhumab .beta.7", "Anti-Beta7", "Anti-Beta7 Pro145223", "PRO-145223", "PRO145223", "RG-7413", "RHUMAB-BETA7", "RHUMABBETA7", "rhuMAb beta7", "Etrolizumab"]}
{"name": "Integrin beta-7", "xref": ["CHEMBL.TARGET:CHEMBL2979"], "id": "UniProtKB:P26010", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743016", "category": ["biolink:ChemicalEntity"], "name": "FARLETUZUMAB", "synonym": ["Farletuzumab", "Farletuzumab", "Farletuzumab", "M3", "MORAb-003", "Farletuzumab"]}
{"name": "Folate receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL2121"], "id": "UniProtKB:P15328", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743019", "category": ["biolink:ChemicalEntity"], "name": "FIGITUMUMAB", "synonym": ["Figitumumab", "Figitumumab", "871", "CP-751", "CP-751,871", "CP-751871", "Figitumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743023", "category": ["biolink:ChemicalEntity"], "name": "FULRANUMAB", "synonym": ["Fulranumab", "Fulranumab", "AMG 403", "AMG-403", "AMG403", "JNJ 42160443", "JNJ-42160443", "Fulranumab"]}
{"name": "Beta-nerve growth factor", "xref": ["CHEMBL.TARGET:CHEMBL1649058"], "id": "UniProtKB:P01138", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743024", "category": ["biolink:ChemicalEntity"], "name": "GANITUMAB", "synonym": ["Ganitumab", "Ganitumab", "AMG 479", "AMG-479", "AMG479", "Ganitumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743025", "category": ["biolink:ChemicalEntity"], "name": "GANTENERUMAB", "synonym": ["Gantenerumab", "Gantenerumab", "R-04909832", "R-1450", "R04909832", "R1450", "RG-1450", "RO-4909832 R-1450", "Ro-4909832", "Gantenerumab"]}
{"name": "Amyloid-beta precursor protein", "xref": ["CHEMBL.TARGET:CHEMBL2487"], "id": "UniProtKB:P05067", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743026", "category": ["biolink:ChemicalEntity"], "name": "GEVOKIZUMAB", "synonym": ["Gevokizumab", "Gevokizumab", "VPM-087", "VPM087", "XOMA 052", "XOMA-052", "Gevokizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743027", "category": ["biolink:ChemicalEntity"], "name": "GIRENTUXIMAB", "synonym": ["Girentuximab", "Girentuximab", "CA9-SCAN CG250", "CG-250", "CG250", "WX-G250", "Rencarex", "Girentuximab"]}
{"name": "Carbonic anhydrase 9", "xref": ["CHEMBL.TARGET:CHEMBL3594"], "id": "UniProtKB:Q16790", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743035", "category": ["biolink:ChemicalEntity"], "name": "LEBRIKIZUMAB", "synonym": ["Lebrikizumab", "Lebrikizumab", "Lebrikizumab", "Lebrikizumab-lbkz", "Lebrikizumab", "Lebrikizumab", "Lebrikizumab", "Tnx-650", "MILR-1444A", "MILR1444A", "PRO-301444", "PRO-301444 RG-3637", "PRO301444", "RO-5490255", "Ebglyss", "Lebrikizumab"], "chembl_availability_type": "prescription only"}
{"name": "Interleukin-13", "xref": ["CHEMBL.TARGET:CHEMBL3580486"], "id": "UniProtKB:P35225", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743042", "category": ["biolink:ChemicalEntity"], "name": "MOTAVIZUMAB", "synonym": ["Motavizumab", "Motavizumab", "Motavizumab", "MEDI-524", "Numax", "Motavizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743043", "category": ["biolink:ChemicalEntity"], "name": "MOXETUMOMAB PASUDOTOX", "synonym": ["Moxetumomab pasudotox", "Moxetumomab pasudotox", "Moxetumomab pasudotox-tdfk", "Moxetumomab pasudotox", "Moxetumomab pasudotox", "Moxetumomab pasudotox", "Moxetumomab pasudotox tdfk", "CAT-8015", "HA-22", "HA22", "Lumoxiti", "Moxetumomab pasudotox"], "chembl_black_box_warning": "True"}
{"name": "B-cell receptor CD22", "xref": ["CHEMBL.TARGET:CHEMBL3218"], "id": "UniProtKB:P20273", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743051", "category": ["biolink:ChemicalEntity"], "name": "ONARTUZUMAB", "synonym": ["Onartuzumab", "Onartuzumab", "Onartuzumab", "METMA-B", "Metmab", "PRO-143966", "PRO-143996", "PRO143966", "RO-5490258", "RO5490258", "Onartuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743053", "category": ["biolink:ChemicalEntity"], "name": "OTELIXIZUMAB", "synonym": ["Otelixizumab", "Otelixizumab", "CHAGLY CD3", "CHAGLYCD-3", "ChAglyCD", "Chaglycd3", "TRX-4", "TRX4", "Otelixizumab"]}
{"name": "T-cell surface glycoprotein CD3 epsilon chain", "xref": ["CHEMBL.TARGET:CHEMBL1975"], "id": "UniProtKB:P07766", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743063", "category": ["biolink:ChemicalEntity"], "name": "RILOTUMUMAB", "synonym": ["Rilotumumab", "Rilotumumab", "AMG 102", "AMG-102", "Rilotumumab"]}
{"name": "Hepatocyte growth factor", "xref": ["CHEMBL.TARGET:CHEMBL5479"], "id": "UniProtKB:P14210", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743071", "category": ["biolink:ChemicalEntity"], "name": "SIRUKUMAB", "synonym": ["Sirukumab", "Sirukumab", "Sirukumab", "Sirukumab", "CNTO 136", "CNTO-136", "CNTO136", "Sirukumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743072", "category": ["biolink:ChemicalEntity"], "name": "SOLANEZUMAB", "synonym": ["Solanezumab", "Solanezumab", "Solanezumab", "LY-2062430", "LY2062430", "Solanezumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743075", "category": ["biolink:ChemicalEntity"], "name": "TABALUMAB", "synonym": ["Tabalumab", "Tabalumab", "Tabalumab", "LY-2127399", "LY2127399", "Tabalumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743078", "category": ["biolink:ChemicalEntity"], "name": "TEPLIZUMAB", "synonym": ["Teplizumab", "Teplizumab", "Teplizumab-mzwv", "Teplizumab", "Teplizumab", "Teplizumab mzwv", "Teplizumab-mzwv", "Tzield", "HOKT3-GAMMA-1 (ALA-ALA)", "HUMANIZED OKT3", "Humanzied OKT3", "MGA-031", "MGA031", "PRV-031", "PRV031", "hOKT3 gamma 1 (Ala-Ala)", "Tzield", "Teplizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743080", "category": ["biolink:ChemicalEntity"], "name": "TIGATUZUMAB", "synonym": ["Tigatuzumab", "Anti-dr5 moab", "Anti-trail-r2 moab", "Tigatuzumab", "CS-1008", "TRA-8"]}
{"name": "Tumor necrosis factor receptor superfamily member 10B", "xref": ["CHEMBL.TARGET:CHEMBL1075153"], "id": "UniProtKB:O14763", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743081", "category": ["biolink:ChemicalEntity"], "name": "TRALOKINUMAB", "synonym": ["Tralokinumab", "Tralokinumab", "Tralokinumab", "Tralokinumab", "Tralokinumab", "CAT-354", "Adbry", "Adtralza", "Tralokinumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107861", "category": ["biolink:ChemicalEntity"], "name": "ZALUTUMUMAB", "synonym": ["Zalutumumab", "Zalutumumab", "2F8", "HUMAX-EGFR, 2F8", "HUMAX-EGFR-2F8", "HuMax-EGFr", "Zalutumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107874", "category": ["biolink:ChemicalEntity"], "name": "ROMOSOZUMAB", "synonym": ["Romosozumab", "Romosozumab", "Romosozumab-aqqg", "Romosozumab", "Romosozumab", "Romosozumab", "Romosozumab", "Romosozumab aqqg", "AMG 785", "AMG-785", "CDP-7851", "CDP7851", "Evenity", "Romosozumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Sclerostin", "xref": ["CHEMBL.TARGET:CHEMBL3580487"], "id": "UniProtKB:Q9BQB4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107917", "category": ["biolink:ChemicalEntity"], "name": "OREGOVOMAB", "synonym": ["Oregovomab", "Oregovomab", "Oregovomab", "Oregovamab", "mAb-B43.13", "Ovarex", "Oregovomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107979", "category": ["biolink:ChemicalEntity"], "name": "PEXELIZUMAB", "synonym": ["Pexelizumab", "Pexelizumab", "Pexelizumab", "Pexelizumab", "5G1.1-SC", "H-5G1.1 SCFV", "H5G1.1 SCFV", "H5G1.1 SCFV (CDR)", "Pexelizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108041", "category": ["biolink:ChemicalEntity"], "name": "OCRELIZUMAB", "synonym": ["Ocrelizumab", "Ocrelizumab", "Ocrelizumab", "Ocrelizumab", "Ocrelizumab", "Ocrelizumab", "Ocrelizumab", "Ocrelizumab-ocsq", "2H7", "PR-070769", "PR070769", "R-1594", "RG-1594", "Ocrelizumab component of ocrevus zunovo", "Ocrevus", "Ocrelizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108061", "category": ["biolink:ChemicalEntity"], "name": "VOLOCIXIMAB", "synonym": ["Volociximab", "Volociximab", "M-200", "M200", "Volociximab"]}
{"id": "CHEMBL.TARGET:CHEMBL2095226", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-5/beta-1"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108063", "category": ["biolink:ChemicalEntity"], "name": "ZANOLIMUMAB", "synonym": ["Zanolimumab", "Zanolimumab", "HuMax-CD4", "MDX-016", "Humax-cd4", "Zanolimumab"]}
{"name": "T-cell surface glycoprotein CD4", "xref": ["CHEMBL.TARGET:CHEMBL2754"], "id": "UniProtKB:P01730", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108208", "category": ["biolink:ChemicalEntity"], "name": "LENERCEPT", "synonym": ["Lenercept", "Lenercept", "Lenercept", "RO 45-2081", "RO-45-2081", "Ro-452081", "Lenercept"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108228", "category": ["biolink:ChemicalEntity"], "name": "BECTUMOMAB", "synonym": ["Bectumomab", "Bectumomab", "Technetium tc 99m bectumomab", "IMMU-LL2", "Lymphoscan", "Bectumomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108378", "category": ["biolink:ChemicalEntity"], "name": "EDOBACOMAB", "synonym": ["Edobacomab", "Edobacomab", "XMMEN-0E5", "Xomen-E5", "Edobacomab"]}
{"id": "CHEMBL.TARGET:CHEMBL3580508", "category": ["biolink:MolecularEntity"], "name": "Lipopolysaccharide (LPS)"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108442", "category": ["biolink:ChemicalEntity"], "name": "MITUMOMAB", "synonym": ["Mitumomab", "Mibumomab", "Mitumomab", "BEC-2", "BEC2", "Mitumomab"]}
{"id": "CHEMBL.TARGET:CHEMBL3580507", "category": ["biolink:MolecularEntity"], "name": "Ganglioside GD3"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108566", "category": ["biolink:ChemicalEntity"], "name": "NERELIMOMAB", "synonym": ["Nerelimomab", "Nerelimomab", "BAY X 1351", "BAY-103356", "BAY-X 1351", "BAY-X-1351", "BAYX-1351", "CDP-571", "TNF MAB", "TNF-MAB", "Humicade", "Nerelimomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108567", "category": ["biolink:ChemicalEntity"], "name": "TANEZUMAB", "synonym": ["Tanezumab", "Tanezumab", "Tanezumab", "PF-04383119", "PF-4383119", "RN-624", "RN624", "Tanezumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108576", "category": ["biolink:ChemicalEntity"], "name": "BAPINEUZUMAB", "synonym": ["Bapineuzumab", "Bapineuzumab", "Bapineuzumab", "3D-6", "AAB-001", "AAB-001, Humanized 3D-6 Monoclonal Antibody", "HUMANIZED 3D-6 MONOCLONAL ANTIBODY", "Bapineuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108611", "category": ["biolink:ChemicalEntity"], "name": "INOTUZUMAB OZOGAMICIN", "synonym": ["Inotuzumab ozogamicin", "Inotuzumab ozogamicin", "Inotuzumab ozogamicin", "Inotuzumab ozogamicin", "Inotuzumab ozogamicine", "Inotuzumab ozogamicina", "Inotuzumab ozogamicin", "Inotuzumab ozogamicin", "CMC-544", "PF-05208773", "WAY-207294", "WAY-207294 CMC-544", "Besponsa", "Inotuzumab ozogamicin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108658", "category": ["biolink:ChemicalEntity"], "name": "TREMELIMUMAB", "synonym": ["Tremelimumab", "Tremelimumab", "Tremelimumab", "Tremelimumab-actl", "Tremelimumab", "Tremelimumab (genetical recombination)", "Tremelimumab", "Tremelimumab actl", "CP-675,206", "CP-675206", "PF-06753388", "TICILIMUMAB", "Imjudo", "Tremelimumab astrazeneca", "Tremelimumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108675", "category": ["biolink:ChemicalEntity"], "name": "DUPILUMAB", "synonym": ["Dupilumab", "Dupilumab", "Dupilumab", "Dupilumab", "Dupilumab", "Dupilumab", "Dupilumab", "REGN-668", "REGN668", "SAR-231893", "SAR231893", "Dupixent", "Regn668, sar231893", "Dupilumab"], "chembl_availability_type": "prescription only"}
{"name": "Interleukin-4 receptor subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3580490"], "id": "UniProtKB:P24394", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108730", "category": ["biolink:ChemicalEntity"], "name": "SARILUMAB", "synonym": ["Sarilumab", "Sarilumab", "Sarilumab", "Sarilumab", "Sarilumab", "Sarilumab", "Sarilumab", "Sarilumab", "REG-N88", "REGN-88", "REGN88", "SAR-153191", "SAR153191", "Kevzara", "Sarilumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108811", "category": ["biolink:ChemicalEntity"], "name": "VISILIZUMAB", "synonym": ["Visilizumab", "Visilizumab", "HUM-291", "huM291", "Nuvion", "Visilizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108887", "category": ["biolink:ChemicalEntity"], "name": "AFELIMOMAB", "synonym": ["Afelimomab", "Afelimomab", "Afelimomab", "LU-54107", "LU54107", "MAK-195F", "Segard"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108967", "category": ["biolink:ChemicalEntity"], "name": "LERDELIMUMAB", "synonym": ["Lerdelimumab", "Lerdelimumab", "CAT-152", "Trabio"]}
{"name": "Transforming growth factor beta-2 proprotein", "xref": ["CHEMBL.TARGET:CHEMBL3217393"], "id": "UniProtKB:P61812", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109150", "category": ["biolink:ChemicalEntity"], "name": "LINTUZUMAB", "synonym": ["Lintuzumab", "Lintuzumab", "HUM-195", "HUM195", "Huma-195-Gelonin", "SGN-33", "Zamyl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109177", "category": ["biolink:ChemicalEntity"], "name": "ODULIMOMAB", "synonym": ["Odulimomab", "Odulimomab", "Afolimomab", "anti-LFA1"]}
{"name": "Integrin alpha-L", "xref": ["CHEMBL.TARGET:CHEMBL1803"], "id": "UniProtKB:P20701", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109191", "category": ["biolink:ChemicalEntity"], "name": "GALIXIMAB", "synonym": ["Galiximab", "Galiximab", "IDEC-114", "Galiximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109193", "category": ["biolink:ChemicalEntity"], "name": "GAVILIMOMAB", "synonym": ["Gavilimomab", "Gavilimomab", "ABX-CBL"]}
{"name": "Basigin", "xref": ["CHEMBL.TARGET:CHEMBL3580492"], "id": "UniProtKB:P35613", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109361", "category": ["biolink:ChemicalEntity"], "name": "PEMTUMOMAB", "synonym": ["RG-1549", "Theragyn", "Pemtumomab"]}
{"name": "Mucin-1", "xref": ["CHEMBL.TARGET:CHEMBL3580494"], "id": "UniProtKB:P15941", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109406", "category": ["biolink:ChemicalEntity"], "name": "PATRITUMAB", "synonym": ["Patritumab", "Patritumab", "AMG 888", "U3-1287", "Patritumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109447", "category": ["biolink:ChemicalEntity"], "name": "LYM-1", "synonym": ["Lym-1", "LYM-1", "Oncolym"]}
{"name": "HLA class II histocompatibility antigen, DRB1-15 beta chain", "synonym": ["HLA class II histocompatibility antigen, DRB1 beta chain"], "xref": ["CHEMBL.TARGET:CHEMBL3831291"], "id": "UniProtKB:P01911", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109592", "category": ["biolink:ChemicalEntity"], "name": "MEDI-500", "synonym": ["Medi-500", "MEDI-500", "T10B9"]}
{"id": "CHEMBL.TARGET:CHEMBL3580506", "category": ["biolink:MacromolecularComplex"], "name": "T-cell receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707253", "category": ["biolink:ChemicalEntity"], "name": "BEVACIZUMAB 111IN", "synonym": ["Bevacizumab 111in", "Bevacizumab in111"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109626", "category": ["biolink:ChemicalEntity"], "name": "ALG-991", "synonym": ["Alg-991", "ALG-991"]}
{"id": "CHEMBL.TARGET:CHEMBL3580509", "category": ["biolink:MolecularEntity"], "name": "Urushiol"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109653", "category": ["biolink:ChemicalEntity"], "name": "BERMEKIMAB", "synonym": ["Bermekimab", "Bermekimab", "Bermekimab", "CA-18C3", "CV-18C3", "MaBp1", "RA-18C3", "T2-18C3", "Xilonix", "Bermekimab"]}
{"name": "Interleukin-1 alpha", "xref": ["CHEMBL.TARGET:CHEMBL3580496"], "id": "UniProtKB:P01583", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707280", "category": ["biolink:ChemicalEntity"], "name": "CG250 111IN", "synonym": ["Cg250 (111in)", "Cg250 111in", "CG250"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108713", "category": ["biolink:ChemicalEntity"], "name": "IODINE I 124 GIRENTUXIMAB", "synonym": ["Iodine (124i) girentuximab", "Girentuximab i-124", "Girentuximab iodine-124", "Iodine (124i) girentuximab", "Iodine i 124 girentuximab", "124ICG250", "cG250 (124I)", "Redectane", "Iodine i 124 girentuximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707297", "category": ["biolink:ChemicalEntity"], "name": "CG250 177LU", "synonym": ["Cg250 (177lu)", "Cg250 177lu", "CG250"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137349", "category": ["biolink:ChemicalEntity"], "name": "BOCOCIZUMAB", "synonym": ["Bococizumab", "Bococizumab", "Bococizumab", "PF-04950615", "RN-316", "RN316", "Bococizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103836", "category": ["biolink:ChemicalEntity"], "name": "IMAGABALIN", "xref": ["InChIKey:JXEHXYFSIOYTAH-SFYZADRCSA-N", "SMILES:CCC[C@@H](C)C[C@H](N)CC(=O)O"], "synonym": ["Imagabalin", "Imagabaline", "Imagabalina", "Imagabalin", "PD 0332334", "PD-0332334", "PD0332334", "PF-00195889", "Imagabalin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL262075", "category": ["biolink:ChemicalEntity"], "name": "INDIPLON", "xref": ["InChIKey:CBIAWPMZSFFRGN-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1"], "synonym": ["Indiplon", "Indiplone", "Indiplon", "Calenthys", "Indiplon", "CL-285489", "NBI-34060", "Indiplon"], "chembl_natural_product": true}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL1962"], "id": "UniProtKB:P14867", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039514", "category": ["biolink:ChemicalEntity"], "name": "ELBASVIR", "xref": ["InChIKey:BVAZQCUMNICBAQ-PZHYSIFUSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C"], "synonym": ["Elbasvir", "Elbasvir", "Elbasvir", "Elbasvir", "Elbasvir", "Elbasvir", "MK-8742", "Elbasvir component of zepatier", "Elbasvir"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2063090", "category": ["biolink:ChemicalEntity"], "name": "GRAZOPREVIR ANHYDROUS", "xref": ["InChIKey:OBMNJSNZOWALQB-NCQNOWPTSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1"], "synonym": ["Grazoprevir anhydrous", "Grazoprevir anhydrous", "MK-5172", "MK-5172 ANHYDROUS", "Grazoprevir anhydrous component of zepatier"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL607400", "category": ["biolink:ChemicalEntity"], "name": "BRIVARACETAM", "xref": ["InChIKey:MSYKRHVOOPPJKU-BDAKNGLRSA-N", "SMILES:CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1"], "synonym": ["Brivaracetam", "Brivaracetam", "Brivaracetam", "Brivaracetam", "Brivaracetam", "Brivaracetam", "Brivaracetam", "UCB 34714", "UCB-34714", "Briviact", "Briviact (in italy:  nubriveo)", "Briviact (in italy: nubriveo)", "Brivaracetam"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544926", "category": ["biolink:ChemicalEntity"], "name": "OBILTOXAXIMAB", "synonym": ["Obiltoxaximab", "Obiltoxaximab", "Obiltoxaximab", "Obiltoxaximab", "Obiltoxaximab", "Obiltoxaximab", "ETI-204", "Anthim", "Nyxthracis (previously obiltoxaximab sfl)", "Obiltoxaximab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743034", "category": ["biolink:ChemicalEntity"], "name": "IXEKIZUMAB", "synonym": ["Ixekizumab", "Ixekizumab", "Ixekizumab", "Ixekizumab", "Ixekizumab", "Ixekizumab", "Ixekizumab", "Ixekizumab", "LY-2439821", "LY2439821", "Taltz", "Ixekizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107884", "category": ["biolink:ChemicalEntity"], "name": "RESLIZUMAB", "synonym": ["Reslizumab", "Reslizumab", "Reslizumab", "Reslizumab", "Reslizumab", "Reslizumab", "Reslizumab", "CEP-38072", "DCP 835", "DCP-835", "SCH 55700", "SCH-55700", "SCH55700", "Cinqaero", "Cinqair", "Cinquil", "Reslizumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137309", "category": ["biolink:ChemicalEntity"], "name": "VENETOCLAX", "xref": ["InChIKey:LQBVNQSMGBZMKD-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1"], "synonym": ["Venetoclax", "Venetoclax", "Venetoclax", "Venetoclax", "Venetoclax", "Abt199", "Venetoclax", "ABT-199", "GDC-0199", "RG-7601", "RG7601", "Venclexta", "Venclyxto", "Venetoclax"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Apoptosis regulator Bcl-2", "xref": ["CHEMBL.TARGET:CHEMBL4860"], "id": "UniProtKB:P10415", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707227", "category": ["biolink:ChemicalEntity"], "name": "ATEZOLIZUMAB", "synonym": ["Atezolizumab", "Atezolizumab", "Atezolizumab", "Atezolizumab", "Atezolizumab", "Atezolizumab", "0ine2sfd9e", "Atezolizumab", "Atezolizumab-tqjc", "Anti-PD-L1", "Anti-PDL1", "MPDL-3280A", "MPDL3280A", "RG-7446", "RG7446", "Atezolizumab component of tecentriq hybreza", "Tecentriq", "Atezolizumab"], "chembl_availability_type": "prescription only"}
{"name": "Programmed cell death 1 ligand 1", "xref": ["CHEMBL.TARGET:CHEMBL3580522"], "id": "UniProtKB:Q9NZQ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255654", "category": ["biolink:ChemicalEntity"], "name": "TETRACAINE HYDROCHLORIDE", "xref": ["InChIKey:PPWHTZKZQNXVAE-UHFFFAOYSA-N", "SMILES:CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl"], "synonym": ["Tetracaine hydrochloride", "Tetracaine hydrochloride", "Tetracaine hydrochloride", "Butethanol", "Curtacain", "Dicainum", "Menonasal", "Pantocaine", "Tetocaine", "Tetraca", "Tetracaine hcl", "Tetracaine hydrochloride", "Tetracaini hydrochloridum", "NSC-757337", "Anethaine", "Locan", "Tetracaine hydrochloride", "Tetracaine hydrochloride component of kovanaze"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707226", "category": ["biolink:ChemicalEntity"], "name": "DEFIBROTIDE SODIUM", "synonym": ["Defibrotide sodium", "Defibrotide sodium", "JZP-381", "Defitelio", "Defibrotide sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201341", "category": ["biolink:ChemicalEntity"], "name": "ECHOTHIOPHATE", "xref": ["InChIKey:BJOLKYGKSZKIGU-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)SCC[N+](C)(C)C"], "synonym": ["Ecothiopate", "Echothiophate cation", "Echothiophate ion", "Ecothiopate cation"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1742986", "category": ["biolink:ChemicalEntity"], "name": "ATACICEPT", "synonym": ["Atacicept", "Atacicept", "Atacicept", "TACI-FC5", "TACI-IG", "Atacicept"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109662", "category": ["biolink:ChemicalEntity"], "name": "DALANTERCEPT", "synonym": ["Dalantercept", "Dalantercept", "ACE-041", "Dalantercept"]}
{"name": "Growth/differentiation factor 2", "xref": ["CHEMBL.TARGET:CHEMBL3831181"], "id": "UniProtKB:Q9UK05", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083390", "category": ["biolink:ChemicalEntity"], "name": "INTEPIRDINE", "xref": ["InChIKey:JJZFWROHYSMCMU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1"], "synonym": ["Intepirdine", "Intepirdina", "Intepirdine", "Sb-742457", "GSK-742457", "GSK742457", "RVT-101", "SB-742457", "Intepirdine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL113461", "category": ["biolink:ChemicalEntity"], "name": "TEDISAMIL", "xref": ["InChIKey:CTIRHWCPXYGDGF-UHFFFAOYSA-N", "SMILES:C1CCC2(C1)C1CN(CC3CC3)CC2CN(CC2CC2)C1"], "synonym": ["Tedisamil", "Tedisamil", "KC-8857", "KC8857", "Tedisamil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107359", "category": ["biolink:ChemicalEntity"], "name": "PAFURAMIDINE MALEATE", "xref": ["InChIKey:SWMNGXODFOCPKQ-BTJKTKAUSA-N", "SMILES:CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Pafuramidine maleate", "DB-289", "DB289", "Pafuramidine maleate"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107842", "category": ["biolink:ChemicalEntity"], "name": "ALBINTERFERON ALFA-2B", "synonym": ["Albinterferon alfa-2b", "Albinterferon alfa-2b", "Albinterferon alfa-2b", "Interferon-alfa-2b", "Albuferon", "Albinterferon alfa-2b"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107846", "category": ["biolink:ChemicalEntity"], "name": "DULANERMIN", "synonym": ["Dulanermin", "Dulanermine", "Dulanermina", "B lymphocyte stimulator (human)", "Dulanermin", "AMG-951", "APO2L/TRAIL", "Dulanermin"]}
{"name": "Tumor necrosis factor receptor superfamily member 10A", "xref": ["CHEMBL.TARGET:CHEMBL3551"], "id": "UniProtKB:O00220", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107856", "category": ["biolink:ChemicalEntity"], "name": "IMETELSTAT", "synonym": ["Imetelstat", "Imetelstat", "Imetelstat", "GRN-163L", "GRN163L", "Imetelstat"]}
{"name": "Telomerase reverse transcriptase", "xref": ["CHEMBL.TARGET:CHEMBL2916"], "id": "UniProtKB:O14746", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107859", "category": ["biolink:ChemicalEntity"], "name": "ROZROLIMUPAB", "synonym": ["Rozrolimupab", "SYM-001", "SYM001", "Rozrolimupab"]}
{"name": "Blood group Rh(D) polypeptide", "xref": ["CHEMBL.TARGET:CHEMBL3712996"], "id": "UniProtKB:Q02161", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107862", "category": ["biolink:ChemicalEntity"], "name": "RINTATOLIMOD", "synonym": ["Rintatolimod", "Rintatolimod", "Atvogen", "Poly i : poly c12u", "Poly i: poly c12u", "Rintatolimod", "Ampligen", "Rintatolimod"]}
{"name": "Toll-like receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL1075113"], "id": "UniProtKB:O15455", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107866", "category": ["biolink:ChemicalEntity"], "name": "PEGINESATIDE", "synonym": ["Peginesatide", "Peginesatide", "Peginesatida", "Peginesatide", "Peginesatide", "AF-37702", "AF37702", "Hematide", "Peginesatide"], "chembl_black_box_warning": "True", "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107870", "category": ["biolink:ChemicalEntity"], "name": "PEGNIVACOGIN", "synonym": ["Pegnivacogin", "Pegnivacogina", "Pegnivacogin", "RB-006", "RB006", "REG-1", "REG1", "Pegnivacogin"]}
{"name": "Coagulation factor IX", "xref": ["CHEMBL.TARGET:CHEMBL2016"], "id": "UniProtKB:P00740", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107875", "category": ["biolink:ChemicalEntity"], "name": "PATIROMER", "synonym": ["Patiromer", "Patiromer"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108557", "category": ["biolink:ChemicalEntity"], "name": "TELBERMIN", "synonym": ["Telbermin", "Telbermine", "Telbermina", "Telbermin", "Vegf-a165", "Vegf165", "RH VEGF", "RH-VEGF", "RHVEG-F", "RHVEGF", "SNN0029", "Telbermin"]}
{"id": "CHEMBL.TARGET:CHEMBL2111480", "category": ["biolink:ProteinFamily"], "name": "Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR)"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108702", "category": ["biolink:ChemicalEntity"], "name": "IMETELSTAT SODIUM", "synonym": ["Imetelstat sodium", "Imetelstat sodium", "Rytelo", "GRN-163L TRIDECASODIUM SALT", "GRN163L", "GRN163L TRIDECASODIUM SALT", "Rytelo", "Imetelstat sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108703", "category": ["biolink:ChemicalEntity"], "name": "LIPROTAMASE", "synonym": ["Liprotamase", "ALTU-135", "Theraclec", "Trizytek", "Liprotamase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108712", "category": ["biolink:ChemicalEntity"], "name": "PLOVAMER ACETATE", "synonym": ["Pi-2301 acetate", "Plovamer acetate", "CO-14", "PI-2301", "Plovamer acetate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108718", "category": ["biolink:ChemicalEntity"], "name": "SEMULOPARIN SODIUM", "synonym": ["Semuloparin sodium", "Semuloparine sodique", "Semuloparina sodica", "Semuloparin sodium", "AVE-5026", "Mulsevo", "Visamerin", "Semuloparin sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108723", "category": ["biolink:ChemicalEntity"], "name": "PEGINTERFERON LAMBDA-1A", "synonym": ["Peginterferon lambda-1a", "Peginterferon lambda-1a", "Pegylated interferon lambda", "BMS-914143", "BMS914143", "PEG-IL-29", "PEG-RIL-29", "PEG-RLL-29", "Peginterferon lambda-1a"]}
{"id": "CHEMBL.TARGET:CHEMBL3831284", "category": ["biolink:MacromolecularComplex"], "name": "Interferon lambda receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108727", "category": ["biolink:ChemicalEntity"], "name": "TALIMOGENE LAHERPAREPVEC", "synonym": ["Talimogene laherparepvec", "Talimogene laherparepvec", "Talimogene laherparepvec", "Talimogen laherparepvec", "Oncovex", "Oncovexgm-csf", "Talimogene laherparepvec", "Talmimogene laherparepvec", "JS-1 34.5-HGMCSF", "JS1 34.5-HGMCSF 47- PA-", "Imlygic", "Oncovex-ae", "Talimogene laherparepvec"]}
{"id": "CHEMBL.TARGET:CHEMBL614126", "category": ["biolink:CellLine"], "name": "Melanoma cell"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108735", "category": ["biolink:ChemicalEntity"], "name": "DRISAPERSEN", "synonym": ["Drisapersen", "Drisapersen", "Drisapersen", "Gsk 2402968a", "GSK-2402968", "GSK-2402968A", "GSK2402968", "GSK2402968A", "H51AON23", "PRO-051", "PRO051", "Drisapersen"]}
{"id": "CHEMBL.TARGET:CHEMBL3826826", "category": ["biolink:NucleicAcidEntity"], "name": "Dystrophin pre-mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109084", "category": ["biolink:ChemicalEntity"], "name": "DESMOTEPLASE", "synonym": ["Desmoteplase", "Desmoteplasa", "Dspa desmoteplase", "Desmoteplase", "RDSPA ALPHA 1", "Desmoteplase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108278", "category": ["biolink:ChemicalEntity"], "name": "ETEPLIRSEN", "synonym": ["Eteplirsen", "Eteplirsen", "Eteplirsen", "Eteplirsen", "AVI-4658", "Eteplirsen component of exondys 51", "Exondys 51", "Eteplirsen"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108569", "category": ["biolink:ChemicalEntity"], "name": "INSULIN PEGLISPRO", "synonym": ["Insulin peglispro", "Insuline peglispro", "Insulina peglispro", "Insulin peglispro", "LY-2605541", "LY2605541", "Insulin peglispro"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108572", "category": ["biolink:ChemicalEntity"], "name": "BALUGRASTIM", "synonym": ["Balugrastim", "Balugrastim", "Balugrastim", "Balugrastim", "CG-10639", "CG10639", "Balugrastim"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108583", "category": ["biolink:ChemicalEntity"], "name": "CINTREDEKIN BESUDOTOX", "synonym": ["Cintredekin besudotox", "Cintredekine besudotox", "Cintredekina besudotox", "Cintredekin besudotox", "Cintredekin besudotox", "IL-13-PE38", "IL13-PE38", "IL13-PE38QQR", "Cintredekin besudotox"]}
{"id": "CHEMBL.TARGET:CHEMBL3831285", "category": ["biolink:MacromolecularComplex"], "name": "Interleukin 13 receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108628", "category": ["biolink:ChemicalEntity"], "name": "PACLITAXEL POLIGLUMEX", "synonym": ["Paclitaxel poliglumex", "Paclitaxel poliglumex", "Paclitaxel conjugate with poly-l-glutamic acid", "L-polyglutamic paclitaxel", "Opaxio", "Paclitaxel poliglumex", "CT-2103", "PG-TXL", "Xyotax", "Paclitaxel poliglumex"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108683", "category": ["biolink:ChemicalEntity"], "name": "ENTOLIMOD", "synonym": ["Entolimod", "Entolimod", "CBLB-502", "CBLB502", "Cblb502", "Entolimod"]}
{"name": "Toll-like receptor 5", "xref": ["CHEMBL.TARGET:CHEMBL2176839"], "id": "UniProtKB:O60602", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1516", "category": ["biolink:ChemicalEntity"], "name": "OLMESARTAN", "xref": ["InChIKey:VTRAEEWXHOVJFV-UHFFFAOYSA-N", "SMILES:CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"], "synonym": ["Olmesartan", "Olmesartan", "Olmesartan", "NSC-759810", "RNH-6270", "Olmesartan", "Olmesartan medoxomil impurity, olmesartan-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL289228", "category": ["biolink:ChemicalEntity"], "name": "TIPIFARNIB", "xref": ["InChIKey:PLHJCIYEEKOWNM-HHHXNRCGSA-N", "SMILES:Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C"], "synonym": ["Tipifarnib", "Tipifarnib", "Tipifarnib", "Zarnestra", "NSC-702818", "R-11577", "R-115777", "R115777", "Tipifarnib"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL2094108", "category": ["biolink:MacromolecularComplex"], "name": "Protein farnesyltransferase"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103778", "category": ["biolink:ChemicalEntity"], "name": "CILANSETRON", "xref": ["InChIKey:NCNFDKWULDWJDS-OAHLLOKOSA-N", "SMILES:Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O"], "synonym": ["Cilansetron", "Cilansetron", "KC-9946", "Cilansetron"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL2111332", "category": ["biolink:MacromolecularComplex"], "name": "Serotonin 3 (5-HT3) receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL348475", "category": ["biolink:ChemicalEntity"], "name": "TARIQUIDAR", "xref": ["InChIKey:LGGHDPFKSSRQNS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2"], "synonym": ["Tariquidar", "Tariquidar", "Tariquidar", "Tariquidar", "XR-9576", "XR9576", "Tariquidar"], "chembl_natural_product": true}
{"name": "ATP-dependent translocase ABCB1", "xref": ["CHEMBL.TARGET:CHEMBL4302"], "id": "UniProtKB:P08183", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395091", "category": ["biolink:ChemicalEntity"], "name": "ESKETAMINE", "xref": ["InChIKey:YQEZLKZALYSWHR-ZDUSSCGKSA-N", "SMILES:CN[C@]1(c2ccccc2Cl)CCCCC1=O"], "synonym": ["Esketamine", "Esketamine", "Esketamine", "Esketamina", "(-)-ketamine", "Esketamine", "Jnj-54135419", "Keta-s", "Ketamine s-isomer", "Ketamine, (s)-", "Ketamine, s-", "Ketaved", "L-ketamine", "S-(-)-ketamine", "S-ketamine", "Esketamine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103793", "category": ["biolink:ChemicalEntity"], "name": "AGATOLIMOD SODIUM", "xref": ["InChIKey:QUWFSKKBMDKAHK-SBOJBMMISA-A", "SMILES:Cc1cn([C@H]2C[C@H](OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](CO)O2)c(=O)[nH]c1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Agatolimod tricosasodium salt", "Agatolimod sodium", "Cpg7909", "Vaximmune", "CPG 7909", "CPG-7909", "PF-03512676", "PF-3512676", "Agatolimod sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800807", "category": ["biolink:ChemicalEntity"], "name": "ANACETRAPIB", "xref": ["InChIKey:MZZLGJHLQGUVPN-HAWMADMCSA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"], "synonym": ["Anacetrapib", "Anacetrapib", "Anacetrapib", "Anacetrapib", "MK-0859", "MK0859", "Anacetrapib"]}
{"name": "Cholesteryl ester transfer protein", "xref": ["CHEMBL.TARGET:CHEMBL3572"], "id": "UniProtKB:P11597", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57242", "category": ["biolink:ChemicalEntity"], "name": "AZILSARTAN", "xref": ["InChIKey:KGSXMPPBFPAXLY-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1"], "synonym": ["Azilsartan", "Azilsartan", "Azilsartan", "Azilsartan", "TAK-536", "Azilsartan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103796", "category": ["biolink:ChemicalEntity"], "name": "BERUBICIN HYDROCHLORIDE", "xref": ["InChIKey:GPMIHHFZKBVWAZ-LMMKTYIZSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](OCc2ccccc2)[C@H](C)O1.Cl"], "synonym": ["Berubicin hcl", "Berubicin hydrochloride", "RTA 744", "RTA-744", "WP-744", "WP744", "Berubicin hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512351", "category": ["biolink:ChemicalEntity"], "name": "BETRIXABAN", "xref": ["InChIKey:XHOLNRLADUSQLD-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1"], "synonym": ["Betrixaban", "Betrixaban", "Betrixaban", "Betrixaban", "Betrixaban maleate", "Betrixaban", "Betrixaban maleate", "PRT-054021", "PRT054021", "Bevyxxa", "Betrixaban"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103800", "category": ["biolink:ChemicalEntity"], "name": "COLESTILAN CHLORIDE", "synonym": ["Colestilan", "Colestilan", "Colestilan", "Colestilan chloride", "Colestilan", "Colestimide", "Colestilan", "Cholebine", "Colestilan", "Colestilan chloride", "Colestimide", "MCI-196", "Bindren", "Cholebine (japan)", "Colestilan chloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313006", "category": ["biolink:ChemicalEntity"], "name": "DALCETRAPIB", "xref": ["InChIKey:YZQLWPMZQVHJED-UHFFFAOYSA-N", "SMILES:CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1"], "synonym": ["Dalcetrapib", "Dalcetrapib", "Dalcetrapib", "JTT-705", "RO-4607381", "RO4607381", "Dalcetrapib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103810", "category": ["biolink:ChemicalEntity"], "name": "EZATIOSTAT HYDROCHLORIDE", "xref": ["InChIKey:XJDYQYNYISTAMO-GFDYFVENSA-N", "SMILES:CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1.Cl"], "synonym": ["Ezatiostat hcl", "Ezatiostat hydrochloride", "TER-199", "TER199", "TLK-199 HYDROCHLORIDE", "TLK199", "Telintra", "Ezatiostat hydrochloride"]}
{"name": "Glutathione S-transferase P", "xref": ["CHEMBL.TARGET:CHEMBL3902"], "id": "UniProtKB:P09211", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49642", "category": ["biolink:ChemicalEntity"], "name": "INDIBULIN", "xref": ["InChIKey:SOLIIYNRSAWTSQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12"], "synonym": ["Indibulin", "Indibuline", "Indibulina", "Indibulin", "D-24851", "ZIO-301", "Indibulin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103815", "category": ["biolink:ChemicalEntity"], "name": "LARAZOTIDE ACETATE", "xref": ["InChIKey:NYGCNONRVCGHAT-UFIKZEAMSA-N", "SMILES:CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C"], "synonym": ["Larazotide acetate", "AT-1001", "AT-1001 (LARAZOTIDE ACETATE)", "Larazotide acetate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481611", "category": ["biolink:ChemicalEntity"], "name": "ODANACATIB", "xref": ["InChIKey:FWIVDMJALNEADT-SFTDATJTSA-N", "SMILES:CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1"], "synonym": ["Odanacatib", "Odanacatib", "Odanacatib", "Odanacatib", "L-001037536", "L-1037536", "MK-0822", "MK0822", "Odanacatib"]}
{"name": "Cathepsin K", "xref": ["CHEMBL.TARGET:CHEMBL268"], "id": "UniProtKB:P43235", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459505", "category": ["biolink:ChemicalEntity"], "name": "TALAROZOLE", "xref": ["InChIKey:SNFYYXUGUBUECJ-UHFFFAOYSA-N", "SMILES:CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1"], "synonym": ["Talarozole", "Talarozol", "Talarozole", "R-115866", "R115866", "Rambazole", "Talarozole"], "chembl_natural_product": true}
{"name": "Cytochrome P450 26A1", "xref": ["CHEMBL.TARGET:CHEMBL5141"], "id": "UniProtKB:O43174", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL48361", "category": ["biolink:ChemicalEntity"], "name": "DABIGATRAN", "xref": ["InChIKey:YBSJFWOBGCMAKL-UHFFFAOYSA-N", "SMILES:Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21"], "synonym": ["Dabigatran", "Dabigatran", "Dabigatran", "Pradaxa (dabigatran)", "BIBR 953 ZW", "BIBR-953", "BIBR-953-ZW", "Dabigatran"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103826", "category": ["biolink:ChemicalEntity"], "name": "DAVUNETIDE", "xref": ["InChIKey:DWLTUUXCVGVRAV-XWRHUKJGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O"], "synonym": ["Davunetide", "Davunetida", "Davunetide", "Davunetide", "AL-108", "AL-208", "Davunetide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL515387", "category": ["biolink:ChemicalEntity"], "name": "GOSOGLIPTIN", "xref": ["InChIKey:QWEWGXUTRTXFRF-KBPBESRZSA-N", "SMILES:O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1"], "synonym": ["Gosogliptin", "Gosogliptine", "Gosogliptina", "Gosogliptin", "PF-00734200", "PF-734,200", "PF-734200", "Gosogliptin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103831", "category": ["biolink:ChemicalEntity"], "name": "NAPROXCINOD", "xref": ["InChIKey:AKFJWRDCWYYTIG-ZDUSSCGKSA-N", "SMILES:COc1ccc2cc([C@H](C)C(=O)OCCCCO[N+](=O)[O-])ccc2c1"], "synonym": ["Naproxcinod", "Naproxcinod", "Naproxcinod", "Naproxcinod", "Naproxen-n-butyl nitrate", "Nitronaproxen", "AR-P900758XX", "AZD-3582", "AZD3582", "HCT 3012", "HCT-3012", "HCT3012", "Naproxcinod"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL889", "category": ["biolink:ChemicalEntity"], "name": "PALIFOSFAMIDE", "xref": ["InChIKey:BKCJZNIZRWYHBN-UHFFFAOYSA-N", "SMILES:O=P(O)(NCCCl)NCCCl"], "synonym": ["Palifosfamide", "Palifosfamida", "Ifosfamide mustard", "Isophosphamide mustard", "N,n'-bis-(2-chloroethyl)phosphoric acid", "Palifosfamide", "IPM", "NSC-297900", "ZIO-201", "Palifosfamide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103832", "category": ["biolink:ChemicalEntity"], "name": "PARDOPRUNOX", "xref": ["InChIKey:YVPUUUDAZYFFQT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc3[nH]c(=O)oc23)CC1"], "synonym": ["Pardoprunox", "Pardoprunox", "DU 126891", "DU-126891", "DU126891", "SLV 308", "SLV-308", "SLV308", "Pardoprunox"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL2095169", "category": ["biolink:ProteinFamily"], "name": "Dopamine receptors; D2 & D3"}
{"id": "CHEMBL.COMPOUND:CHEMBL148674", "category": ["biolink:ChemicalEntity"], "name": "VARESPLADIB", "xref": ["InChIKey:BHLXTPHDSZUFHR-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1"], "synonym": ["Varepladib", "Varespladib", "Varespladib", "Varespladib", "Varespladib sodium", "LY-315920", "LY315920", "Varespladib"], "chembl_natural_product": true}
{"name": "Phospholipase A2, membrane associated", "xref": ["CHEMBL.TARGET:CHEMBL3474"], "id": "UniProtKB:P14555", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103837", "category": ["biolink:ChemicalEntity"], "name": "TAFAMIDIS", "xref": ["InChIKey:TXEIIPDJKFWEEC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1"], "synonym": ["Tafamidis", "Tafamidis", "Tafamidis", "Tafamidis", "Tafamidis", "FX-1005", "FX-1006", "FX1006", "Vyndamax", "Tafamidis"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Transthyretin", "xref": ["CHEMBL.TARGET:CHEMBL3194"], "id": "UniProtKB:P02766", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103839", "category": ["biolink:ChemicalEntity"], "name": "RIDAFOROLIMUS", "xref": ["InChIKey:BUROJSBIWGDYCN-GAUTUEMISA-N", "SMILES:CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OP(C)(C)=O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"], "synonym": ["Ridaforolimus", "Ridaforolimus", "Ridaforolimus", "Ridaforolimus", "Ridaforolimus", "AP 23573", "AP-23573", "AP23573", "MK-8669", "MK8669", "Ridaforolimus"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103844", "category": ["biolink:ChemicalEntity"], "name": "PIXANTRONE DIMALEATE", "xref": ["InChIKey:SVAGFBGXEWPNJC-SPIKMXEPSA-N", "SMILES:NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O"], "synonym": ["Pixantrone dimaleate", "Pixantrone dimaleate salt", "Pixantrone dimaleate", "Pixantrone maleate", "Pixuvri", "BBR 2778", "BBR 2778 DIMALEATE", "BBR-2778 DIMALEATE", "NSC-752341", "Pixuvri", "Pixantrone dimaleate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103846", "category": ["biolink:ChemicalEntity"], "name": "ULIPRISTAL", "xref": ["InChIKey:HKDLNTKNLJPAIY-WKWWZUSTSA-N", "SMILES:CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C"], "synonym": ["Ulipristal", "Ulipristal", "Ulipristal acetate ulipristal", "Uliprisnil", "Ulipristal", "Ulipristal"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103847", "category": ["biolink:ChemicalEntity"], "name": "TOSEDOSTAT", "xref": ["InChIKey:FWFGIHPGRQZWIW-SQNIBIBYSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO"], "synonym": ["Tosedostat", "Tosedostat", "CHR 2797", "CHR-2797", "CHR2797", "Tosedostat"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3831223", "category": ["biolink:ProteinFamily"], "name": "Aminopeptidase"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103849", "category": ["biolink:ChemicalEntity"], "name": "UDENAFIL", "xref": ["InChIKey:IYFNEFQTYQPVOC-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(S(=O)(=O)NCCC2CCCN2C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1"], "synonym": ["Udenafil", "Udenafil", "Udenafilo", "Udenafil", "Udenafil", "Zydena", "DA-8159", "Udenafil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103852", "category": ["biolink:ChemicalEntity"], "name": "CROLIBULIN", "xref": ["InChIKey:JXONINOYTKKXQQ-CQSZACIVSA-N", "SMILES:COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Br)c1OC"], "synonym": ["Crolibulin", "Crolibuline", "Crolibulina", "Crolibulin", "EPC 2407", "EPC-2407", "EPC2407", "Crolibulin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL286738", "category": ["biolink:ChemicalEntity"], "name": "IROSUSTAT", "xref": ["InChIKey:DSLPMJSGSBLWRE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3"], "synonym": ["Irosustat", "Irosustat", "667 COUMATE", "667-COUMATE", "BN 83495", "BN-83495", "BN83495", "STX 64", "STX-64", "STX64", "Irosustat"], "chembl_natural_product": true}
{"name": "Steryl-sulfatase", "xref": ["CHEMBL.TARGET:CHEMBL3559"], "id": "UniProtKB:P08842", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103855", "category": ["biolink:ChemicalEntity"], "name": "TELOTRISTAT", "xref": ["InChIKey:NCLGDOBQAWBXRA-PGRDOPGGSA-N", "SMILES:Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1"], "synonym": ["Telotristat", "Telotristat", "Telotristat", "Telotristat", "LP 778902", "LP-778902", "LX-3033", "Telotristat"]}
{"id": "CHEMBL.TARGET:CHEMBL3831287", "category": ["biolink:ProteinFamily"], "name": "Tryptophan 5-hydroxylase"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103857", "category": ["biolink:ChemicalEntity"], "name": "EDIVOXETINE", "xref": ["InChIKey:CPBHSHYQQLFAPW-ZWKOTPCHSA-N", "SMILES:COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@@H]1CNCCO1"], "synonym": ["Edivoxetine", "Edivoxetina", "Edivoxetine", "LY-2216684", "LY-2216684 HYDROCHLORIDE", "LY2216684", "Edivoxetine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218650", "category": ["biolink:ChemicalEntity"], "name": "DELAMANID", "xref": ["InChIKey:XDAOLTSRNUSPPH-XMMPIXPASA-N", "SMILES:C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1"], "synonym": ["Delamanid", "Delamanid", "Delamanid", "Delamanid", "Delamanid", "Delamanid", "Delamanid", "Opc 67683", "OPC-67683", "OPC67683", "Deltyba", "Delamanid"], "chembl_prodrug": true}
{"id": "CHEMBL.TARGET:CHEMBL2111188", "category": ["biolink:CellularOrganism"], "name": "Mycobacterium tuberculosis H37Rv"}
{"id": "CHEMBL.COMPOUND:CHEMBL1922660", "category": ["biolink:ChemicalEntity"], "name": "FIBOFLAPON", "xref": ["InChIKey:DFQGDHBGRSTTHX-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1"], "synonym": ["Fiboflapon", "Am803", "Fiboflapon", "AM-803", "GSK-2190915", "GSK2190915", "GSK2190915B", "Fiboflapon"], "chembl_natural_product": true}
{"name": "Arachidonate 5-lipoxygenase-activating protein", "xref": ["CHEMBL.TARGET:CHEMBL4550"], "id": "UniProtKB:P20292", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552212", "category": ["biolink:ChemicalEntity"], "name": "LEXIBULIN", "xref": ["InChIKey:MTJHLONVHHPNSI-IBGZPJMESA-N", "SMILES:CCC[C@H](Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)ncc1C)c1cccnc1"], "synonym": ["Lexibulin", "Lexibuline", "Lexibulina", "Lexibulin", "CYT 997", "CYT-997", "CYT997", "Lexibulin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103867", "category": ["biolink:ChemicalEntity"], "name": "PLECANATIDE", "xref": ["InChIKey:NSPHQWLKCGGCQR-DLJDZFDSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)O"], "synonym": ["Plecanatide", "Plecanatide", "Plecanatide", "Plecanatida", "Plecanatide", "Guanilib", "Plecanatide", "SP-304", "SP-304 (SYNERGY)", "Trulance", "Plecanatide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1922673", "category": ["biolink:ChemicalEntity"], "name": "FIBOFLAPON SODIUM", "xref": ["InChIKey:NOJNFULGOQGBKB-UHFFFAOYSA-M", "SMILES:CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1.[Na+]"], "synonym": ["Am803 sodium", "Fiboflapon sodium", "AM-803 SODIUM", "GSK-2190915A", "GSK2190915A", "SODIUM SALT", "Fiboflapon sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017179", "category": ["biolink:ChemicalEntity"], "name": "EVACETRAPIB", "xref": ["InChIKey:IHIUGIVXARLYHP-YBXDKENTSA-N", "SMILES:Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1"], "synonym": ["Evacetrapib", "Evacetrapib", "Evacetrapib", "LY-2484595", "LY2484595", "Evacetrapib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103879", "category": ["biolink:ChemicalEntity"], "name": "GANETESPIB", "xref": ["InChIKey:RVAQIUULWULRNW-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O"], "synonym": ["Ganetespib", "Ganetespib", "STA 9090", "STA-9090", "Ganetespib"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL2095165", "category": ["biolink:ProteinFamily"], "name": "Heat shock protein HSP90"}
{"id": "CHEMBL.COMPOUND:CHEMBL117287", "category": ["biolink:ChemicalEntity"], "name": "PRUCALOPRIDE", "xref": ["InChIKey:ZPMNHBXQOOVQJL-UHFFFAOYSA-N", "SMILES:COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1"], "synonym": ["Prucalopride", "Prucalopride", "Prucalopride", "Prucalopride", "Prucaloprida", "Prucalopride", "Prucalopride", "R093877", "R-093877", "Resolor", "Prucalopride"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103883", "category": ["biolink:ChemicalEntity"], "name": "AVATROMBOPAG", "xref": ["InChIKey:OFZJKCQENFPZBH-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1"], "synonym": ["Avatrombopag", "Avatrombopag", "Avatrombopag", "Akr-501", "Avatrombopag", "E-5501", "E5501", "YM-301477", "YM-477", "Avatrombopag"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103884", "category": ["biolink:ChemicalEntity"], "name": "OPROZOMIB", "xref": ["InChIKey:SWZXEVABPLUDIO-WSZYKNRRSA-N", "SMILES:COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1"], "synonym": ["Oprozomib", "Oprozomib", "Pr-047", "ONX 0912", "ONX-0912", "Oprozomib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL298734", "category": ["biolink:ChemicalEntity"], "name": "LONAFARNIB", "xref": ["InChIKey:DHMTURDWPRKSOA-RUZDIDTESA-N", "SMILES:NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1"], "synonym": ["Lonafarnib", "Lonafarnib", "Lonafarnib", "Lonafarnib", "Lonafarnib", "Lonafarnib", "Sarasar", "SCH 66336", "SCH-66336", "SCH66336", "Zokinvy", "Lonafarnib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301672", "category": ["biolink:ChemicalEntity"], "name": "ERITORAN TETRASODIUM", "xref": ["InChIKey:FEMINZOAAWPBPP-RHMAUSBNSA-J", "SMILES:CCCCCC/C=C\\CCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](COC)[C@@H](OP(=O)([O-])[O-])[C@@H]1OCC[C@@H](CCCCCCC)OC.[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Eritoran sodium", "Eritoran tetrasodium salt", "Eritoran tetrasodium", "B-1287", "B1287", "E-5564", "E5564", "Eritoran tetrasodium"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3038512", "category": ["biolink:MacromolecularComplex"], "name": "Toll-like receptor 4/MD-2"}
{"id": "CHEMBL.COMPOUND:CHEMBL2104967", "category": ["biolink:ChemicalEntity"], "name": "FIRATEGRAST", "xref": ["InChIKey:YLFZHHDVRSYTKT-NRFANRHFSA-N", "SMILES:CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1"], "synonym": ["Firategrast", "Firategrast", "SB-683699", "Firategrast"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104981", "category": ["biolink:ChemicalEntity"], "name": "RILAPLADIB", "xref": ["InChIKey:NNBGCSGCRSCFEA-UHFFFAOYSA-N", "SMILES:COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1"], "synonym": ["Rilapladib", "Rilapladib", "SB-659032", "Rilapladib"]}
{"name": "Platelet-activating factor acetylhydrolase", "xref": ["CHEMBL.TARGET:CHEMBL3514"], "id": "UniProtKB:Q13093", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90983", "category": ["biolink:ChemicalEntity"], "name": "TERAMEPROCOL", "xref": ["InChIKey:ORQFDHFZSMXRLM-IYBDPMFKSA-N", "SMILES:COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1OC"], "synonym": ["Terameprocol", "Terameprocol", "EM 1421", "EM-1421", "EM1421", "Terameprocol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989496", "category": ["biolink:ChemicalEntity"], "name": "TEZACITABINE", "xref": ["InChIKey:XPYQFIISZQCINN-QVXDJYSKSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)/C2=C\\F)c(=O)n1.O"], "synonym": ["Tezacitabine", "Tezacitabine monohydrate", "FMD-C", "FMDC", "Tezacitabine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235191", "category": ["biolink:ChemicalEntity"], "name": "TACEDINALINE", "xref": ["InChIKey:VAZAPHZUAVEOMC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1"], "synonym": ["Tacedinaline", "Tacedinalina", "Acetyldinaline", "Tacedinaline", "CI-994", "GOE 5549", "GOE-5549", "PD 123654", "PD-123654", "Tacedinaline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5314374", "category": ["biolink:ChemicalEntity"], "name": "IDRAPARINUX SODIUM", "xref": ["InChIKey:MVPQUSQUURLQKF-MCPDASDXSA-E", "SMILES:CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Idraparinux sodium", "Idraparinux sodique", "Idraparinux de sodio", "Idraparinux nonasodium salt", "Idraparinux sodium", "ORG-34006", "SANORG-34006", "SANORG34006", "Idraparinux sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110725", "category": ["biolink:ChemicalEntity"], "name": "VINFLUNINE", "xref": ["InChIKey:NMDYYWFGPIMTKO-KLCPSUAYSA-N", "SMILES:CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32"], "synonym": ["Vinflunine", "Vinflunine", "Vinflunina", "Vinflunine", "Vinflunine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429876", "category": ["biolink:ChemicalEntity"], "name": "CILENGITIDE", "xref": ["InChIKey:AMLYAMJWYAIXIA-VWNVYAMZSA-N", "SMILES:CC(C)[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C"], "synonym": ["Cilengitide", "Cilengitida", "Cilengitide", "Cilengitide", "EMD 121974", "EMD-12192", "EMD-121974", "Cilengitide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL325424", "category": ["biolink:ChemicalEntity"], "name": "ALEPLASININ", "xref": ["InChIKey:HSXLMAFNWCSZGP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc3c(c2)c(C(=O)C(=O)O)cn3Cc2ccc(C(C)(C)C)cc2)c1"], "synonym": ["Aleplasinin", "Aleplasinine", "Aleplasinina", "Aleplasinin", "PAZ-417", "Aleplasinin"], "chembl_natural_product": true}
{"name": "Plasminogen activator inhibitor 1", "xref": ["CHEMBL.TARGET:CHEMBL3475"], "id": "UniProtKB:P05121", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591118", "category": ["biolink:ChemicalEntity"], "name": "CARMEGLIPTIN", "xref": ["InChIKey:GUYMHFIHHOEFOA-ZCPGHIKRSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](N3C[C@@H](CF)CC3=O)CN1CC2"], "synonym": ["Carmegliptin", "Carmegliptine", "Carmegliptina", "Carmegliptin", "R-1579", "R1579", "RO-4876904", "RO4876904", "Carmegliptin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27759", "category": ["biolink:ChemicalEntity"], "name": "ENTINOSTAT", "xref": ["InChIKey:INVTYAOGFAGBOE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1"], "synonym": ["Entinostat", "Entinostat", "Entinostat", "MS-27-275", "MS-275-27", "SNDX-275", "Entinostat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL315985", "category": ["biolink:ChemicalEntity"], "name": "ESLICARBAZEPINE", "xref": ["InChIKey:BMPDWHIDQYTSHX-AWEZNQCLSA-N", "SMILES:NC(=O)N1c2ccccc2C[C@H](O)c2ccccc21"], "synonym": ["Eslicarbazepine", "Eslicarbazepine", "Eslicarbazepina", "Eslicarbazepine", "(s)-licarbazepine", "Eslicarbazepine", "Licarbazepine, (s)-", "BIA 2-194", "BIA-2-194", "BIA-2194", "CGP-13751", "Erelib", "Pazzul", "Stedesa", "Eslicarbazepine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL289351", "category": ["biolink:ChemicalEntity"], "name": "FOSBRETABULIN DISODIUM", "xref": ["InChIKey:VXNQMUVMEIGUJW-XNOMRPDFSA-L", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-].[Na+].[Na+]"], "synonym": ["Fosbretabulin disodium salt", "Fosbretabulin disodium", "CA 4P", "CA-4DP", "CA4DP", "Fosbretabulin disodium"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105643", "category": ["biolink:ChemicalEntity"], "name": "FOSBRETABULIN TROMETHAMINE", "xref": ["InChIKey:FIDMEHCRMLKKPZ-YSMBQZINSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.NC(CO)(CO)CO"], "synonym": ["Fosbretabulin tromethamine", "Fosbretabulin tromethamine", "Zybrestat", "Fosbretabulin tromethamine"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL272980", "category": ["biolink:ChemicalEntity"], "name": "MOCETINOSTAT", "xref": ["InChIKey:HRNLUBSXIHFDHP-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1"], "synonym": ["Mocetinostat", "Mocetinostat", "MGCD-0103", "MGCD0103", "Mocetinostat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2028665", "category": ["biolink:ChemicalEntity"], "name": "REMOGLIFLOZIN ETABONATE", "xref": ["InChIKey:UAOCLDQAQNNEAX-ABMICEGHSA-N", "SMILES:CCOC(=O)OC[C@H]1O[C@@H](Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Remogliflozin etabonate", "Etabonate de remogliflozine", "Etabonato de remogliflozina", "Gsk189075", "Remogliflozin etabonate", "BHV-091009", "GSK-189075", "GSK-189075A", "GSK189075A", "Remogliflozin etabonate"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL377559", "category": ["biolink:ChemicalEntity"], "name": "RETASPIMYCIN HYDROCHLORIDE", "xref": ["InChIKey:OIRUWDYJGMHDHJ-AFXVCOSJSA-N", "SMILES:C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)N2.Cl"], "synonym": ["Retaspimycin hydrochloride", "Retaspimycin hcl", "Retaspimycin hydrochloride", "IPI-504", "IPI-504 HYDROCHLORIDE", "Retaspimycin hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2304041", "category": ["biolink:ChemicalEntity"], "name": "SAGOPILONE", "xref": ["InChIKey:BFZKMNSQCNVFGM-UCEYFQQTSA-N", "SMILES:C=CC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@@H]1O"], "synonym": ["Sagopilone", "Sagopilona", "Sagopilone", "Zk219477", "BAY86-5302", "DE-03757", "ZK 219477", "ZK-219477", "ZK-EPO", "Sagopilone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105659", "category": ["biolink:ChemicalEntity"], "name": "VARESPLADIB METHYL", "xref": ["InChIKey:VJYDOJXJUCJUHL-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cccc2n1Cc1ccccc1"], "synonym": ["Varespladib methyl ester", "Varespladib methyl", "A-002", "LY-333013", "LY333013", "S-3013", "Varespladib methyl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105661", "category": ["biolink:ChemicalEntity"], "name": "LITRONESIB", "xref": ["InChIKey:YVAFBXLHPINSIK-QHCPKHFHSA-N", "SMILES:CCNCCS(=O)(=O)NC[C@@]1(c2ccccc2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C"], "synonym": ["Litronesib", "Litronesib", "KF 89617", "KF-89617", "KF89617", "LY 2523355", "LY-2523355", "LY2523355", "Litronesib"], "chembl_natural_product": true}
{"name": "Kinesin-like protein KIF11", "xref": ["CHEMBL.TARGET:CHEMBL4581"], "id": "UniProtKB:P52732", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105665", "category": ["biolink:ChemicalEntity"], "name": "ELACYTARABINE", "xref": ["InChIKey:FLFGNMFWNBOBGE-FNNZEKJRSA-N", "SMILES:CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O"], "synonym": ["Elacytarabine", "Elacitarabina", "Cytarabine eliadate", "Elacytarabine", "CP 4055", "CP-4055", "CP4055", "P-4055", "Elacytarabine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL190412", "category": ["biolink:ChemicalEntity"], "name": "TEGLARINAD CHLORIDE", "xref": ["InChIKey:DAHMXVAETAAQOZ-UHFFFAOYSA-N", "SMILES:COCCOCCOCCOCCOC(=O)OC[n+]1ccc(N/C(=N/C#N)NCCCCCCOc2ccc(Cl)cc2)cc1.[Cl-]"], "synonym": ["Teglarinad chloride", "Chlorure de teglarinad", "Cloruro de teglarinad", "Teglarinad chloride", "EB-1627", "EB1627", "GMX-1777", "GMX1777", "Teglarinad chloride"], "chembl_prodrug": true}
{"name": "Nicotinamide phosphoribosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL1744525"], "id": "UniProtKB:P43490", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371405", "category": ["biolink:ChemicalEntity"], "name": "MARIZOMIB", "xref": ["InChIKey:NGWSFRIPKNWYAO-SHTIJGAHSA-N", "SMILES:C[C@@]12OC(=O)[C@]1([C@@H](O)[C@@H]1C=CCCC1)NC(=O)[C@@H]2CCCl"], "synonym": ["Marizomib", "Salinosporamide a", "Marizomib", "NPI-0052", "Marizomib"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3831201", "category": ["biolink:MacromolecularComplex"], "name": "20S proteasome"}
{"id": "CHEMBL.COMPOUND:CHEMBL1800955", "category": ["biolink:ChemicalEntity"], "name": "OMECAMTIV MECARBIL", "xref": ["InChIKey:RFUBTTPMWSKEIW-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1"], "synonym": ["Omecamtiv mecarbil", "Omecamtiv mecarbil", "Omecamtiv mecarbilo", "Omecamtiv mecarbil", "CK-1827452", "Omecamtiv mecarbil"]}
{"id": "CHEMBL.TARGET:CHEMBL3831286", "category": ["biolink:MacromolecularComplex"], "name": "Cardiac myosin"}
{"id": "CHEMBL.COMPOUND:CHEMBL1096380", "category": ["biolink:ChemicalEntity"], "name": "PLINABULIN", "xref": ["InChIKey:UNRCMCRRFYFGFX-TYPNBTCFSA-N", "SMILES:CC(C)(C)c1[nH]cnc1/C=c1\\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O"], "synonym": ["Plinabulin", "Plinabuline", "Plinabulina", "Plinabulin", "Plinabulin", "NPI-2358", "Plinabulin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL506871", "category": ["biolink:ChemicalEntity"], "name": "VELIPARIB", "xref": ["InChIKey:JNAHVYVRKWKWKQ-CYBMUJFWSA-N", "SMILES:C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1"], "synonym": ["Veliparib", "Veliparib", "Veliparib", "ABT-888", "PARP-1 INHIBITOR ABT-888", "Veliparib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105671", "category": ["biolink:ChemicalEntity"], "name": "AFEGOSTAT TARTRATE", "xref": ["InChIKey:ULBPPCHRAVUQMC-RWOHWRPJSA-N", "SMILES:O=C(O)C(O)C(O)C(=O)O.OC[C@H]1CNC[C@@H](O)[C@@H]1O"], "synonym": ["Isofagomine tartrate", "Afegostat tartrate", "Plicera", "AT-2101", "AT2101", "HGT-3410", "Afegostat tartrate"]}
{"name": "Lysosomal acid glucosylceramidase", "xref": ["CHEMBL.TARGET:CHEMBL2179"], "id": "UniProtKB:P04062", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105675", "category": ["biolink:ChemicalEntity"], "name": "TAFAMIDIS MEGLUMINE", "xref": ["InChIKey:DQJDBUPLRMRBAB-WZTVWXICSA-N", "SMILES:CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1"], "synonym": ["Tafamidis meglumine", "Tafamidis meglumine", "Tafamidis meglumine", "Tafamidis meglumine", "Tafamidis meglumine", "Tafamidis meglumine", "FX-1006A", "Vyndaqel", "Tafamidis meglumine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL460785", "category": ["biolink:ChemicalEntity"], "name": "DUVOGLUSTAT HYDROCHLORIDE", "xref": ["InChIKey:ZJIHMALTJRDNQI-VFQQELCFSA-N", "SMILES:Cl.OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["1 deoxynojirimycin hydrochloride", "1-deoxynojirimycin hydrochloride", "Duvoglustat hcl", "Duvoglustat hydrochloride", "Moranoline hydrochloride", "AT-2220", "AT2220", "Duvoglustat hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105681", "category": ["biolink:ChemicalEntity"], "name": "SAPACITABINE", "xref": ["InChIKey:LBGFKUUHOPIEMA-PEARBKPGSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1"], "synonym": ["Sapacitabine", "Sapacitabina", "Sapacitabine", "CS-682", "CYC-682", "CYC682", "Sapacitabine"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105683", "category": ["biolink:ChemicalEntity"], "name": "NAPROXEN ETEMESIL", "xref": ["InChIKey:JGBUBSOKFSVXKS-LBPRGKRZSA-N", "SMILES:COc1ccc2cc([C@H](C)C(=O)OCCS(C)(=O)=O)ccc2c1"], "synonym": ["Naproxen etemesil", "LT-NS001", "MX-1094", "Naproxen etemesil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095032", "category": ["biolink:ChemicalEntity"], "name": "LETAXABAN", "xref": ["InChIKey:GEHAEMCVKDPMKO-HXUWFJFHSA-N", "SMILES:O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCNC2=O)CC1"], "synonym": ["Letaxaban", "Letaxaban", "TAK 442", "TAK-442", "TAK442", "Letaxaban"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL301742", "category": ["biolink:ChemicalEntity"], "name": "ARBACLOFEN", "xref": ["InChIKey:KPYSYYIEGFHWSV-QMMMGPOBSA-N", "SMILES:NC[C@H](CC(=O)O)c1ccc(Cl)cc1"], "synonym": ["Arbaclofen", "Arbaclofene", "Arbaclofeno", "Baclofen (r)-form", "(r)-baclofen", "Arbaclofen", "Baclofen, (r)-", "Baclofen, r(-)-", "Baclofen, r-", "D-baclofen", "R-(-)-baclofen", "STX-209", "STX209", "Arbaclofen"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105711", "category": ["biolink:ChemicalEntity"], "name": "TOFOGLIFLOZIN", "xref": ["InChIKey:ZXOCGDDVNPDRIW-NHFZGCSJSA-N", "SMILES:CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1.O"], "synonym": ["Tofogliflozin", "Tofogliflozine", "Tofogliflozina", "Tofogliflozin hydrate", "Tofogliflozin", "Tofogliflozin monohydrate", "Tofogliflozin", "Tofogliflozin hydrate", "CSG452", "Tofogliflozin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105721", "category": ["biolink:ChemicalEntity"], "name": "NIVOCASAN", "xref": ["InChIKey:VYFGDLGHHBUDTQ-ZLGUVYLKSA-N", "SMILES:CC(C)[C@@]1(C(=O)N[C@H]2CC(=O)O[C@]2(O)CF)CC(c2nccc3ccccc23)=NO1"], "synonym": ["Nivocasan", "Nivocasan", "GS-9450", "LB-84451", "LB84451", "Nivocasan"]}
{"name": "Caspase-8", "xref": ["CHEMBL.TARGET:CHEMBL3776"], "id": "UniProtKB:Q14790", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173055", "category": ["biolink:ChemicalEntity"], "name": "RUCAPARIB", "xref": ["InChIKey:HMABYWSNWIZPAG-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"], "synonym": ["Rucaparib", "Rucaparib", "Rucaparib", "Rucaparib", "AG-14447", "Rucaparib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989801", "category": ["biolink:ChemicalEntity"], "name": "FORIGERIMOD ACETATE", "xref": ["InChIKey:AAYJNPGTWYJOET-VURLEEIPSA-N", "SMILES:CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](COP(=O)(O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"], "synonym": ["Forigerimod acetate", "CEP-33457", "IPP 201101", "P-140", "P140", "Lupuzor", "Forigerimod acetate"]}
{"name": "Heat shock cognate 71 kDa protein", "xref": ["CHEMBL.TARGET:CHEMBL1275223"], "id": "UniProtKB:P11142", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1921976", "category": ["biolink:ChemicalEntity"], "name": "ORTERONEL", "xref": ["InChIKey:OZPFIJIOIVJZMN-SFHVURJKSA-N", "SMILES:CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1"], "synonym": ["Orteronel", "Orteronel", "Orteronel", "TAK-700", "Orteronel"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094636", "category": ["biolink:ChemicalEntity"], "name": "NIRAPARIB", "xref": ["InChIKey:PCHKPVIQAHNQLW-CQSZACIVSA-N", "SMILES:NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12"], "synonym": ["Niraparib", "Niraparib", "Niraparib", "Niraparib", "Niraparib", "JNJ-64091742", "MK-4827", "MK4827", "ZL-2306", "Zejula", "Niraparib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Poly [ADP-ribose] polymerase 2", "xref": ["CHEMBL.TARGET:CHEMBL5366"], "id": "UniProtKB:Q9UGN5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105754", "category": ["biolink:ChemicalEntity"], "name": "TRELAGLIPTIN SUCCINATE", "xref": ["InChIKey:OGCNTTUPLQTBJI-XFULWGLBSA-N", "SMILES:Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O.O=C(O)CCC(=O)O"], "synonym": ["Trelagliptin succinate", "Trelagliptin succinate", "Zafatek", "SYR-111472 SUCCINATE", "SYR-472", "SYR111472 SUCCINATE", "Trelagliptin succinate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770248", "category": ["biolink:ChemicalEntity"], "name": "ERTUGLIFLOZIN", "xref": ["InChIKey:MCIACXAZCBVDEE-CUUWFGFTSA-N", "SMILES:CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1"], "synonym": ["Ertugliflozin", "Ertugliflozin", "Ertugliflozin", "Ertugliflozine", "Ertugliflozina", "Ertugliflozin", "Ertugliflozin", "Pf-04971729", "MK-8835", "PF-04971729-00", "PF04971729", "Ertugliflozin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105762", "category": ["biolink:ChemicalEntity"], "name": "OMARIGLIPTIN", "xref": ["InChIKey:MKMPWKUAHLTIBJ-ISTRZQFTSA-N", "SMILES:CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2"], "synonym": ["Omarigliptin", "Omarigliptine", "Omarigliptina", "Omarigliptin", "Omarigliptin", "Omarigliptin", "MK-3102", "Omarigliptin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594230", "category": ["biolink:ChemicalEntity"], "name": "LIPEGFILGRASTIM", "synonym": ["Lipegfilgrastim", "Lipegfilgrastim", "Lipegfilgrastim", "Lipegfilgrastim", "Lipegfilgrastim", "XM-22", "XM22", "Lonquex", "Lipegfilgrastim"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431770", "category": ["biolink:ChemicalEntity"], "name": "ISTRADEFYLLINE", "xref": ["InChIKey:IQVRBWUUXZMOPW-PKNBQFBNSA-N", "SMILES:CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O"], "synonym": ["Istradefylline", "Istradefylline", "Istradefylline", "Istradefilina", "Istradefylline", "Istradefylline", "Istradefylline", "Nouriast", "KW-6002", "Nourianz", "Istradefylline"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL416146", "category": ["biolink:ChemicalEntity"], "name": "ETORICOXIB", "xref": ["InChIKey:MNJVRJDLRVPLFE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1"], "synonym": ["Etoricoxib", "Etoricoxib", "Etoricoxib", "Etoricoxib", "Etoricoxib", "Etoricoxib", "L-791456", "MK-0663", "Arcoxia", "Etoricoxib", "Etoricoxib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL218166", "category": ["biolink:ChemicalEntity"], "name": "BIFEPRUNOX", "xref": ["InChIKey:CYGODHVAJQTCBG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1"], "synonym": ["Bifeprunox", "Bifeprunox", "Bifeprunox", "Bifeprunox"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2106798", "category": ["biolink:ChemicalEntity"], "name": "NERAMEXANE MESYLATE", "xref": ["InChIKey:CLUKHUGGXSIGRX-UHFFFAOYSA-N", "SMILES:CC1(C)CC(C)(C)CC(C)(N)C1.CS(=O)(=O)O"], "synonym": ["Neramexane mesilate", "Neramexane mesylate", "Neramexane mesylate"]}
{"id": "CHEMBL.TARGET:CHEMBL2109238", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha9/alpha10"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107312", "category": ["biolink:ChemicalEntity"], "name": "ARBACLOFEN PLACARBIL", "xref": ["InChIKey:JXTAALBWJQJLGN-KSSFIOAISA-N", "SMILES:CC(C)C(=O)O[C@@H](OC(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1)C(C)C"], "synonym": ["Arbaclofen placarbil", "Arbaclofene placarbil", "Arbaclofeno placarbilo", "Arbaclofen placarbil", "Arbaclofen placarbil", "XP-19986", "XP19986", "Arbaclofen placarbil"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107313", "category": ["biolink:ChemicalEntity"], "name": "BECATECARIN", "xref": ["InChIKey:JSKFWUPVIZYJMR-UDOAKELVSA-N", "SMILES:CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@@H]4O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O"], "synonym": ["Becatecarin", "Becatecarine", "Becatecarina", "Becatecarin", "Deae-rebeccamycin", "BMS-181176", "BMY-27557", "NSC-655649", "XL-119", "XL119", "Becatecarin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1767407", "category": ["biolink:ChemicalEntity"], "name": "DENUFOSOL TETRASODIUM", "xref": ["InChIKey:PASYJVRFGUDDEW-WMUGRWSXSA-J", "SMILES:Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1.[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Denufosol tetrasodium salt", "Denufosol tetrasodium", "INS-37217", "INS37217", "Denufosol tetrasodium"], "chembl_natural_product": true}
{"name": "P2Y purinoceptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4398"], "id": "UniProtKB:P41231", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550755", "category": ["biolink:ChemicalEntity"], "name": "FORODESINE HYDROCHLORIDE", "xref": ["InChIKey:WEIAMZKHBCLFOG-QPAIBFMUSA-N", "SMILES:Cl.O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12"], "synonym": ["Forodesine hydrochloride", "Forodesine hydrochloride", "Forodesine hcl", "Forodesine hydrochloride", "BCX-1777", "Forodesine hydrochloride"]}
{"name": "Purine nucleoside phosphorylase", "xref": ["CHEMBL.TARGET:CHEMBL4338"], "id": "UniProtKB:P00491", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107354", "category": ["biolink:ChemicalEntity"], "name": "MIFAMURTIDE", "xref": ["InChIKey:SARBMGXGWXCXFW-GJHVZSAVSA-M", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC.O.[Na+]"], "synonym": ["Mifamurtide", "Mifamurtide", "Mifamurtide", "Mifamurtida", "Mifamurtide", "Mifamurtide sodium salt monohydrate", "Mifamurtide", "Mifamurtide sodium hydrate", "Sodium mifamurtide", "L-MTP-PE", "Mepact", "Mifamurtide"], "chembl_natural_product": true}
{"name": "Nucleotide-binding oligomerization domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL1293266"], "id": "UniProtKB:Q9HC29", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107358", "category": ["biolink:ChemicalEntity"], "name": "OBATOCLAX MESYLATE", "xref": ["InChIKey:ZFKXDVMHNXPEIY-PEZBNFGJSA-N", "SMILES:COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\\c1[nH]c(C)cc1C.CS(=O)(=O)O"], "synonym": ["Obatoclax mesilate", "Obatoclax mesylate", "GX-15-070MS", "GX15-070MS", "Obatoclax mesylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190083", "category": ["biolink:ChemicalEntity"], "name": "TARENFLURBIL", "xref": ["InChIKey:SYTBZMRGLBWNTM-SNVBAGLBSA-N", "SMILES:C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1"], "synonym": ["Tarenflurbil", "Tarenflurbilo", "Tarenflurbil", "Flurbiprofen, (r)-", "R-flurbiprofen", "Tarenflurbil", "E-7869", "MPC-7869", "Tarenflurbil"]}
{"id": "CHEMBL.TARGET:CHEMBL2094135", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-secretase"}
{"id": "CHEMBL.COMPOUND:CHEMBL197672", "category": ["biolink:ChemicalEntity"], "name": "EMRICASAN", "xref": ["InChIKey:SCVHJVCATBPIHN-SJCJKPOMSA-N", "SMILES:C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F"], "synonym": ["Emricasan", "Emricasan", "IDN 6556", "IDN-6556", "PF 03491390", "PF-03491390", "VAY-785", "VAY785", "Emricasan"]}
{"id": "CHEMBL.TARGET:CHEMBL3831289", "category": ["biolink:ProteinFamily"], "name": "Caspase"}
{"id": "CHEMBL.COMPOUND:CHEMBL180101", "category": ["biolink:ChemicalEntity"], "name": "ESREBOXETINE", "xref": ["InChIKey:CBQGYUDMJHNJBX-OALUTQOASA-N", "SMILES:CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1"], "synonym": ["Esreboxetine", "Esreboxetina", "(s,s)-reboxetine", "Esreboxetine", "S,s-reboxetine", "Ss-rbx", "(S,S)-RBX", "REBOXETINE", "Esreboxetine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL520733", "category": ["biolink:ChemicalEntity"], "name": "SEMAGACESTAT", "xref": ["InChIKey:PKXWXXPNHIWQHW-RCBQFDQVSA-N", "SMILES:CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21"], "synonym": ["Semagacestat", "Semagacestat", "Semagacestat", "LY-450139", "LY450139", "Semagacestat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1835207", "category": ["biolink:ChemicalEntity"], "name": "APRICOXIB", "xref": ["InChIKey:JTMITOKKUMVWRT-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cc(C)cn2-c2ccc(S(N)(=O)=O)cc2)cc1"], "synonym": ["Apricoxib", "Apricoxib", "CS-706", "R-109339", "TG-01", "TG01", "Apricoxib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL68117", "category": ["biolink:ChemicalEntity"], "name": "VOSAROXIN", "xref": ["InChIKey:XZAFZXJXZHRNAQ-STQMWFEESA-N", "SMILES:CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC"], "synonym": ["Vosaroxin", "Vosaroxin", "Vosaroxine", "Vosaroxina", "Vosaroxin", "AG-7352", "SNS-595", "SPC-595", "Vosaroxin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL257704", "category": ["biolink:ChemicalEntity"], "name": "EPLIVANSERIN", "xref": ["InChIKey:VAIOZOCLKVMIMN-PRJWTAEASA-N", "SMILES:CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F"], "synonym": ["Eplivanserin", "Eplivanserin", "Eplivanserine", "Eplivanserina", "Eplivanserin", "SR-46349", "SR46349", "Eplivanserin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492399", "category": ["biolink:ChemicalEntity"], "name": "VERUBULIN", "xref": ["InChIKey:SNHCRNMVYDHVDT-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1"], "synonym": ["Verubulin", "Verubuline", "Verubulina", "Verubulin", "MPC-6827", "MX-128495", "Azixa", "Verubulin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1090771", "category": ["biolink:ChemicalEntity"], "name": "AVAGACESTAT", "xref": ["InChIKey:XEAOPVUAMONVLA-QGZVFWFLSA-N", "SMILES:NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1"], "synonym": ["Avagacestat", "Avagacestat", "BMS 708163", "BMS-708163", "BMS-708163-01", "BMS-70816301", "BMS708163", "Avagacestat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396778", "category": ["biolink:ChemicalEntity"], "name": "SAFINAMIDE", "xref": ["InChIKey:NEMGRZFTLSKBAP-LBPRGKRZSA-N", "SMILES:C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O"], "synonym": ["Safinamide", "Safinamide", "Safinamide", "Safinamida", "Safinamide", "Safinamide", "EMD 1195686", "EMD-1195686", "Xadago", "Safinamide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1171829", "category": ["biolink:ChemicalEntity"], "name": "BITOPERTIN", "xref": ["InChIKey:YUUGYIUSCYNSQR-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F"], "synonym": ["Bitopertin", "Bitopertine", "Bitopertina", "Bitopertin", "Bitopertin", "Paliflutine", "DISC-1459", "R-1678", "RG-1678", "RO-4917838", "RO-4917939", "RO4917838", "Bitopertin"]}
{"name": "Sodium- and chloride-dependent glycine transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL2337"], "id": "UniProtKB:P48067", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18901", "category": ["biolink:ChemicalEntity"], "name": "EFAPROXIRAL", "xref": ["InChIKey:BNFRJXLZYUTIII-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1"], "synonym": ["Efaproxiral", "Efaproxiral", "Efaproxiral", "Efaproxiral", "RSR-13", "RSR13", "Efaproxiral"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL2095168", "category": ["biolink:MacromolecularComplex"], "name": "Hemoglobin HbA"}
{"id": "CHEMBL.COMPOUND:CHEMBL463981", "category": ["biolink:ChemicalEntity"], "name": "BEGACESTAT", "xref": ["InChIKey:PSXOKXJMVRSARX-SCSAIBSYSA-N", "SMILES:O=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1"], "synonym": ["Begacestat", "Begacestat", "GSI-953", "Begacestat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204021", "category": ["biolink:ChemicalEntity"], "name": "DARAPLADIB", "xref": ["InChIKey:WDPFJWLDPVQCAJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2"], "synonym": ["Darapladib", "Darapladib", "Darapladib", "Darapladib", "SB-480848", "Darapladib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL167731", "category": ["biolink:ChemicalEntity"], "name": "PIXANTRONE", "xref": ["InChIKey:PEZPMAYDXJQYRV-UHFFFAOYSA-N", "SMILES:NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O"], "synonym": ["Pixantrone", "Pixantrone", "Pixantrone", "Pixantrona", "Pixantrone", "Pixantrone", "BBR 2778", "BBR-2778", "BBR2778", "Pixantrone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989689", "category": ["biolink:ChemicalEntity"], "name": "SQUALAMINE LACTATE", "xref": ["InChIKey:ZPYIELFRIYUVQP-BHBJEIPNSA-N", "SMILES:CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCN)CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O.C[C@H](O)C(=O)O.O"], "synonym": ["Squalamine lactate", "Squalamine lactate hydrate", "MSI-1256F", "Squalamine lactate"]}
{"name": "Sodium/hydrogen exchanger 3", "xref": ["CHEMBL.TARGET:CHEMBL3273"], "id": "UniProtKB:P48764", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109480", "category": ["biolink:ChemicalEntity"], "name": "TANESPIMYCIN", "xref": ["InChIKey:AYUNIORJHRXIBJ-TXHRRWQRSA-N", "SMILES:C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O"], "synonym": ["Tanespimycin", "Tanespimycine", "Tanespimicina", "17aag", "Tanespimycin", "17-AAG", "BMS-722782", "CNF-1010", "CNF1010", "KOS-953", "NSC-330507", "Tanespimycin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL142703", "category": ["biolink:ChemicalEntity"], "name": "VILDAGLIPTIN", "xref": ["InChIKey:SYOKIDBDQMKNDQ-XWTIBIIYSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2"], "synonym": ["Vildagliptin", "Vildagliptin", "Vildagliptin", "Vildagliptin", "Vildagliptine", "Vildagliptina", "Vildagliptin", "Vildagliptin", "Vildagliptin", "Vitagliptin", "LAF 237", "LAF-237", "LAF237", "NVP-LAF 237", "NVP-LAF237", "Equa", "Galvus", "Jalra", "Xiliarx", "Vildagliptin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL481958", "category": ["biolink:ChemicalEntity"], "name": "AMRUBICIN HYDROCHLORIDE", "xref": ["InChIKey:BHMLHEQFWVQAJS-IITOGVPQSA-N", "SMILES:CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O.Cl"], "synonym": ["Amrubicin hydrochloride", "Amrubicin hydrochloride", "Amrubicin hydrochloride", "Calsed", "SM 5887", "SM-5887", "Amrubicin hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443684", "category": ["biolink:ChemicalEntity"], "name": "NAVITOCLAX", "xref": ["InChIKey:JLYAXFNOILIKPP-KXQOOQHDSA-N", "SMILES:CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1"], "synonym": ["Navitoclax", "Navitoclax", "Navitoclax", "Navitoclax", "A-855071.0", "ABT-263", "Navitoclax"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215923", "category": ["biolink:ChemicalEntity"], "name": "BIMOSIAMOSE", "xref": ["InChIKey:RYWCQJDEHXJHRI-XJMXIVSISA-N", "SMILES:O=C(O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1"], "synonym": ["Bimosiamose", "Bimosiamosa", "Bimosiamose", "Bimosiamose"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3831288", "category": ["biolink:ProteinFamily"], "name": "Selectin"}
{"id": "CHEMBL.COMPOUND:CHEMBL73822", "category": ["biolink:ChemicalEntity"], "name": "APAZIQUONE", "xref": ["InChIKey:MXPOCMVWFLDDLZ-NSCUHMNNSA-N", "SMILES:Cn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O"], "synonym": ["Apaziquone", "Apazicuona", "Apaziquone", "Apaziquone", "Eoquin", "Qapzola", "EO-9", "EO9", "NOR-701", "NSC-382456", "NSC-382459", "Apaziquone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL435224", "category": ["biolink:ChemicalEntity"], "name": "LAPAQUISTAT ACETATE", "xref": ["InChIKey:CMLUGNQVANVZHY-POURPWNDSA-N", "SMILES:COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)O)CC3)C(=O)N(CC(C)(C)COC(C)=O)c3ccc(Cl)cc32)c1OC"], "synonym": ["Lapaquistat acetate", "Lapaquistat acetate", "TAK 475", "TAK-475", "TAK475", "Lapaquistat acetate"]}
{"name": "Squalene synthase", "xref": ["CHEMBL.TARGET:CHEMBL3338"], "id": "UniProtKB:P37268", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490665", "category": ["biolink:ChemicalEntity"], "name": "NALFURAFINE HYDROCHLORIDE", "xref": ["InChIKey:DJSFYNINGIMKAG-FQJQBBMWSA-N", "SMILES:CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"], "synonym": ["Nalfurafine hydrochloride", "Nalfurafine hydrochloride", "Nalfurafine hcl", "Nalfurafine hydrochloride", "Nopicor", "Remitch", "TRK-820", "Nalfurafine hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107818", "category": ["biolink:ChemicalEntity"], "name": "ALDOXORUBICIN", "xref": ["InChIKey:OBMJQRLIQQTJLR-USGQOSEYSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"], "synonym": ["Aldoxorubicin", "Aldoxorubicine", "Aldoxorubicina", "Aldoxorubicin", "Doxo-emch", "Doxorubicin-emch", "Inno-206", "Aldoxorubicin"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107821", "category": ["biolink:ChemicalEntity"], "name": "EMIXUSTAT", "xref": ["InChIKey:WJIGGYYSZBWCGC-MRXNPFEDSA-N", "SMILES:NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1"], "synonym": ["Emixustat", "Emixustat", "ACU-4429", "Acu-4429", "Emixustat"], "chembl_natural_product": true}
{"name": "Retinoid isomerohydrolase", "xref": ["CHEMBL.TARGET:CHEMBL3831182"], "id": "UniProtKB:Q16518", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107829", "category": ["biolink:ChemicalEntity"], "name": "EMIXUSTAT HYDROCHLORIDE", "xref": ["InChIKey:BPZWRYOUJMDQSY-PKLMIRHRSA-N", "SMILES:Cl.NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1"], "synonym": ["Emixustat hydrochloride", "ACU-4429 HCL", "ACU-4429 HYDROCHLORIDE", "Acu-4429 hcl", "Emixustat hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364609", "category": ["biolink:ChemicalEntity"], "name": "ESKETAMINE HYDROCHLORIDE", "xref": ["InChIKey:VCMGMSHEPQENPE-ZOWNYOTGSA-N", "SMILES:CN[C@]1(c2ccccc2Cl)CCCCC1=O.Cl"], "synonym": ["Esketamine hydrochloride", "Esketamine hydrochloride", "Esketamine hydrochloride", "Esketamine hydrochloride", "Ketamine hydrochloride, (s)-", "Ketamine hydrochloride, s-", "Ketanest s", "AM-101", "Spravato", "Esketamine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1829174", "category": ["biolink:ChemicalEntity"], "name": "FASIGLIFAM", "xref": ["InChIKey:BZCALJIHZVNMGJ-HSZRJFAPSA-N", "SMILES:Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1"], "synonym": ["Fasiglifam", "Fasiglifam hydrate", "Fasiglifam", "Fasiglifam hemihydrate", "Fasiglifam hydrate", "Tak-875 anhydrous", "TAK-875", "TAK875", "Fasiglifam"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2364614", "category": ["biolink:ChemicalEntity"], "name": "LIAFENSINE", "xref": ["InChIKey:VCIBGDSRPUOBOG-QFIPXVFZSA-N", "SMILES:CN1Cc2cc(-c3ccc(N)nn3)ccc2[C@H](c2ccc3ccccc3c2)C1"], "synonym": ["Liafensine", "Liafensina", "Liafensine", "BMS-820836", "Liafensine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231160", "category": ["biolink:ChemicalEntity"], "name": "PEVONEDISTAT", "xref": ["InChIKey:MPUQHZXIXSTTDU-QXGSTGNESA-N", "SMILES:NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O"], "synonym": ["Pevonedistat", "Pevonedistat", "MLN 4924", "MLN-4924", "MLN-4924003", "MLN4924", "Pevonedistat"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3831283", "category": ["biolink:MacromolecularComplex"], "name": "NEDD8 activating enzyme"}
{"id": "CHEMBL.COMPOUND:CHEMBL2364624", "category": ["biolink:ChemicalEntity"], "name": "PRADIGASTAT", "xref": ["InChIKey:GXALXAKNHIROPE-QAQDUYKDSA-N", "SMILES:O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1"], "synonym": ["Pradigastat", "Lcq-908", "Lcq908 - dgat-1-inhibitor", "Pradigastat", "LCQ-908-NXA", "LCQ-908NXA", "LCQ908-NXA", "Pradigastat"]}
{"name": "Diacylglycerol O-acyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL6009"], "id": "UniProtKB:O75907", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707446", "category": ["biolink:ChemicalEntity"], "name": "RIVIPANSEL", "xref": ["InChIKey:VXBNTHRZPJLRSS-PTCSXESPSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H](C(=O)NCCNC(=O)COCCOCC(=O)Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)O)[C@H]2OC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O"], "synonym": ["Rivipansel", "Rivipansel", "GMI-1070", "PF-06460031", "Rivipansel"], "chembl_natural_product": true}
{"name": "P-selectin", "xref": ["CHEMBL.TARGET:CHEMBL5378"], "id": "UniProtKB:P16109", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364639", "category": ["biolink:ChemicalEntity"], "name": "VALBENAZINE", "xref": ["InChIKey:GEJDGVNQKABXKG-CFKGEZKQSA-N", "SMILES:COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2"], "synonym": ["Valbenazine", "Valbenazine", "Valbenazina", "Valbenazine", "Mt-5199", "Valbenazine", "NBI-98854", "Valbenazine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1812161", "category": ["biolink:ChemicalEntity"], "name": "VATIQUINONE", "xref": ["InChIKey:LNOVHERIIMJMDG-XZXLULOTSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O"], "synonym": ["Vatiquinone", "Vatiquinona", "(r)-alpha-tocotrienol quinone", ".alpha.-tocotrienol quinone", "Alpha tocotrienol quinone", "Alpha-tocotrienol quinone", "Vatiquinone", "EPI-743", "PTC-743", "PTC743", "Vatiquinone"], "chembl_natural_product": true}
{"name": "NAD(P)H dehydrogenase [quinone] 1", "xref": ["CHEMBL.TARGET:CHEMBL3623"], "id": "UniProtKB:P15559", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048028", "category": ["biolink:ChemicalEntity"], "name": "LIFITEGRAST", "xref": ["InChIKey:JFOZKMSJYSPYLN-QHCPKHFHSA-N", "SMILES:CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1"], "synonym": ["Lifitegrast", "Lifitegrast", "Lifitegrast", "Lifitegrast", "Lifitegrast", "SAR 1118", "SAR-1118", "SHP-606", "SHP606", "Xiidra", "Lifitegrast"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039507", "category": ["biolink:ChemicalEntity"], "name": "SOTAGLIFLOZIN", "xref": ["InChIKey:QKDRXGFQVGOQKS-CRSSMBPESA-N", "SMILES:CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1"], "synonym": ["Sotagliflozin", "Sotagliflozin", "Sotagliflozin", "Sotagliflozin", "Sotagliflozine", "Sotagliflozina", "Sotagliflozin", "Inpefa", "Sar-439954", "Sar439954", "Sotagliflozin", "LP-802034", "LX-4211", "LX4211", "Inpefa", "Zynquista", "Sotagliflozin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Sodium/glucose cotransporter 1", "xref": ["CHEMBL.TARGET:CHEMBL4979"], "id": "UniProtKB:P13866", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039515", "category": ["biolink:ChemicalEntity"], "name": "ELOBIXIBAT", "xref": ["InChIKey:XFLQIRAKKLNXRQ-UUWRZZSWSA-N", "SMILES:CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)C1"], "synonym": ["Elobixibat", "Elobixibat", "Elobixibat", "Elobixibat", "A-3309", "A3309", "AZD-7806", "AZD7806", "Elobixibat"], "chembl_natural_product": true}
{"name": "Ileal sodium/bile acid cotransporter", "xref": ["CHEMBL.TARGET:CHEMBL2778"], "id": "UniProtKB:Q12908", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039521", "category": ["biolink:ChemicalEntity"], "name": "VINTAFOLIDE", "xref": ["InChIKey:KUZYSQSABONDME-QRLOMCMNSA-N", "SMILES:CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c5ccc(NCc6cnc7[nH]c(N)nc(=O)c7n6)cc5)C(=O)O)C(=O)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1"], "synonym": ["Vintafolide", "Vintafolide", "Vintafolida", "Vintafolide", "EC-145", "EC145", "Vintafolide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3039522", "category": ["biolink:ChemicalEntity"], "name": "BIRINAPANT", "xref": ["InChIKey:PKWRMUKBEYJEIX-DXXQBUJASA-N", "SMILES:CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12"], "synonym": ["Birinapant", "Birinapant", "TL-32711", "TL32711", "Birinapant"]}
{"id": "CHEMBL.TARGET:CHEMBL3038465", "category": ["biolink:ProteinFamily"], "name": "cIAP1/cIAP2"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039529", "category": ["biolink:ChemicalEntity"], "name": "TIRASEMTIV", "xref": ["InChIKey:RSQGZEAXODVTOL-UHFFFAOYSA-N", "SMILES:C#Cc1cnc2nc(O)n(C(CC)CC)c2n1"], "synonym": ["Tirasemtiv", "Tirasemtiv", "CK-2017357", "CK2017357", "Tirasemtiv"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3831282", "category": ["biolink:MacromolecularComplex"], "name": "Fast skeletal troponin complex"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039558", "category": ["biolink:ChemicalEntity"], "name": "ETIRINOTECAN PEGOL", "synonym": ["Etirinotecan pegol", "Etirinotecan pegol", "Etirinotecan pegol", "NKTR-102", "Etirinotecan pegol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297163", "category": ["biolink:ChemicalEntity"], "name": "MUPARFOSTAT", "synonym": ["Muparfostat", "PI-88", "Muparfostat"]}
{"name": "Heparanase", "xref": ["CHEMBL.TARGET:CHEMBL3921"], "id": "UniProtKB:Q9Y251", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314381", "category": ["biolink:ChemicalEntity"], "name": "IRINOTECAN SUCROSOFATE", "xref": ["InChIKey:BCPSLKYBXGKPIW-RTXWKGGWSA-N", "SMILES:CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.O=S(=O)(O)OC[C@H]1O[C@@](COS(=O)(=O)O)(O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O"], "synonym": ["Irinotecan sucrosofate", "MM-398", "PEP-02", "Irinotecan sucrosofate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL166863", "category": ["biolink:ChemicalEntity"], "name": "POLMACOXIB", "xref": ["InChIKey:IJWPAFMIFNSIGD-UHFFFAOYSA-N", "SMILES:CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccc(F)c2)C1=O"], "synonym": ["Polmacoxib", "Polmacoxib", "Polmacoxib", "CG-100649", "CG100649", "Polmacoxib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338329", "category": ["biolink:ChemicalEntity"], "name": "ROXADUSTAT", "xref": ["InChIKey:YOZBGTLTNGAVFU-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12"], "synonym": ["Roxadustat", "Roxadustat", "Roxadustat", "Roxadustat", "Roxadustat", "ASP-1517", "ASP1517", "FG-4592", "FG4592", "Evrenzo", "Roxadustat"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3831261", "category": ["biolink:ProteinFamily"], "name": "Hypoxia-inducible factor prolyl hydroxylase"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137318", "category": ["biolink:ChemicalEntity"], "name": "TALAZOPARIB TOSYLATE", "xref": ["InChIKey:QUQKKHBYEFLEHK-QNBGGDODSA-N", "SMILES:Cc1ccc(S(=O)(=O)O)cc1.Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1"], "synonym": ["Talazoparib tosylate", "Talazoparib tosylate", "Talazoparib tosilate", "Talazoparib tosylate", "Talazoparib tosilate", "Talazoparib tosylate", "BMN 673ts", "BMN-673TS", "Talzenna", "Talazoparib tosylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137320", "category": ["biolink:ChemicalEntity"], "name": "TALAZOPARIB", "xref": ["InChIKey:HWGQMRYQVZSGDQ-HZPDHXFCSA-N", "SMILES:Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1"], "synonym": ["Talazoparib", "Talazoparib", "Talazoparib", "Talazoparib", "BMN 673", "BMN-673", "LT-673", "PF-06944076", "Talazoparib"], "chembl_availability_type": "prescription only"}
{"name": "Poly [ADP-ribose] polymerase 1", "xref": ["CHEMBL.TARGET:CHEMBL3105"], "id": "UniProtKB:P09874", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137322", "category": ["biolink:ChemicalEntity"], "name": "DIANHYDROGALACTITOL", "xref": ["InChIKey:AAFJXZWCNVJTMK-GUCUJZIJSA-N", "SMILES:O[C@H]([C@H](O)[C@@H]1CO1)[C@H]1CO1"], "synonym": ["Dianhydrogalactitol", "Dianhidrogalactitol", "1,2:5,6-dianhdrogalactitol", "1,2:5,6-dianhydrogalactitol", "Dianhydrogalactitol", "Dulcitol diepoxide", "NSC-132313", "NSC-1323313", "VAL-083", "Dianhydrogalactitol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1186894", "category": ["biolink:ChemicalEntity"], "name": "AMRUBICIN", "xref": ["InChIKey:VJZITPJGSQKZMX-XDPRQOKASA-N", "SMILES:CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O"], "synonym": ["Amrubicin", "Amrubicin", "Amrubicine", "Amrubicina", "Amrubicin", "Amrubicin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3301576", "category": ["biolink:ChemicalEntity"], "name": "PEGPLERANIB SODIUM", "synonym": ["Pegpleranib sodium", "E-01AJ", "E-10030", "E01AJ", "E10030", "X-01E", "X01E", "Fovista", "Pegpleranib sodium"]}
{"name": "Platelet-derived growth factor subunit B", "xref": ["CHEMBL.TARGET:CHEMBL3108633"], "id": "UniProtKB:P01127", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301595", "category": ["biolink:ChemicalEntity"], "name": "DASOTRALINE", "xref": ["InChIKey:SRPXSILJHWNFMK-MEDUHNTESA-N", "SMILES:N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21"], "synonym": ["Dasotraline", "Dasotralina", "(1r,4s)-trans-norsertraline", "Dasotraline", "Norsertraline, (1r,4s)-trans-", "SEP-225289", "Dasotraline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3301627", "category": ["biolink:ChemicalEntity"], "name": "TENAPANOR HYDROCHLORIDE", "xref": ["InChIKey:VFRAXTZDILCRKY-OWRGXFNZSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1.Cl.Cl"], "synonym": ["Tenapanor hydrochloride", "Tenapanor dihydrochloride", "Tenapanor hydrochloride", "Xphozah", "AZD-1722 HYDROCHLORIDE", "AZD1722", "AZD1722 hydrochloride", "RDX-5791", "RDX5791", "Ibsrela", "Xphozah", "Tenapanor hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544907", "category": ["biolink:ChemicalEntity"], "name": "PICOPLATIN", "synonym": ["Picoplatin", "Picoplatin", "Picoplatine", "Picoplatino", "Picoplatin", "Picoplatin", "AMD-473", "AMD473", "NX 473", "NX-473", "NX473", "ZD-0473", "ZD0473", "Picoplatin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544911", "category": ["biolink:ChemicalEntity"], "name": "PREXASERTIB", "xref": ["InChIKey:DOTGPNHGTYJDEP-UHFFFAOYSA-N", "SMILES:COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1"], "synonym": ["Prexasertib", "Ly-2606368", "Prexasertib", "LY-2606368", "LY2606368", "Prexasertib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL260046", "category": ["biolink:ChemicalEntity"], "name": "EVOFOSFAMIDE", "xref": ["InChIKey:UGJWRPJDTDGERK-UHFFFAOYSA-N", "SMILES:Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+](=O)[O-]"], "synonym": ["Evofosfamide", "Evofosfamida", "Evofosfamide", "HAP-302", "TH-302", "Evofosfamide"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544988", "category": ["biolink:ChemicalEntity"], "name": "DAPRODUSTAT", "xref": ["InChIKey:RUEYEZADQJCKGV-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O"], "synonym": ["Daprodustat", "Daprodustat", "Daprodustat", "Daprodustat", "Daprodustat", "Jesduvroq", "GSK-1278863", "GSK1278863", "Jesduvroq", "Daprodustat"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545070", "category": ["biolink:ChemicalEntity"], "name": "VONAPANITASE", "synonym": ["Vonapanitase", "Vonapanitasa", "Pancreatic elastase 1", "Vonapanitase", "PRT-201", "PRT201", "Vonapanitase"]}
{"name": "Elastin", "xref": ["CHEMBL.TARGET:CHEMBL3713712"], "id": "UniProtKB:P15502", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2443262", "category": ["biolink:ChemicalEntity"], "name": "OLICERIDINE", "xref": ["InChIKey:DMNOVGJWPASQDL-OAQYLSRUSA-N", "SMILES:COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1"], "synonym": ["Oliceridine", "Oliceridine", "Oliceridine", "Oliceridina", "Oliceridine", "TRV-130", "TRV130", "Olinvyk", "Olynvik", "Oliceridine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545185", "category": ["biolink:ChemicalEntity"], "name": "SELINEXOR", "xref": ["InChIKey:DEVSOMFAQLZNKR-RJRFIUFISA-N", "SMILES:O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1"], "synonym": ["Selinexor", "Selinexor", "Selinexor", "Selinexor", "Selinexor", "KPT-330", "Nexpovio", "Xpovio", "Selinexor"], "chembl_availability_type": "prescription only"}
{"name": "Exportin-1", "xref": ["CHEMBL.TARGET:CHEMBL5661"], "id": "UniProtKB:O14980", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241348", "category": ["biolink:ChemicalEntity"], "name": "FALDAPREVIR", "xref": ["InChIKey:LLGDPTDZOVKFDU-XUHJSTDZSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O"], "synonym": ["Faldaprevir", "Faldaprevir", "Faldaprevir", "BI 201335", "BI-201335", "BI201335", "Faldaprevir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545369", "category": ["biolink:ChemicalEntity"], "name": "EPACADOSTAT", "xref": ["InChIKey:FBKMWOJEPMPVTQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"], "synonym": ["Epacadostat", "Epacadostat", "Epacadostat", "INCB-024360", "INCB024360", "Epacadostat"]}
{"name": "Indoleamine 2,3-dioxygenase 1", "xref": ["CHEMBL.TARGET:CHEMBL4685"], "id": "UniProtKB:P14902", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484785", "category": ["biolink:ChemicalEntity"], "name": "CRISABOROLE", "xref": ["InChIKey:USZAGAREISWJDP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1"], "synonym": ["Crisaborole", "Crisaborole", "Crisaborole", "Crisaborole", "Crisaborol", "Crisaborole", "Crisaborole", "AN-2728", "AN2728", "Eucrisa", "Staquis", "Crisaborole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL190461", "category": ["biolink:ChemicalEntity"], "name": "CANNABIDIOL", "xref": ["InChIKey:QHMBSVQNZZTUGM-ZWKOTPCHSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O"], "synonym": ["Cannabidiol", "Cannabidiol", "Cannabidiol", "Cannabidiol", "Cannabidiol", "Cannabidiol", "(-)-cannabidiol", "(-)-cbd", "(-)-trans-cannabidiol", ".delta.1(2)-trans-cannabidiol", "Cannabidiol", "Cardiolrx", "BTX-1204", "BTX-1503", "GWP-42003", "GWP-42003-P", "GWP42003", "GWP42003-P", "Epidiolex", "Epidyolex", "Cannabidiol", "Cannabidiol", "Cannabidiol solution"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1808388", "category": ["biolink:ChemicalEntity"], "name": "BEXAGLIFLOZIN", "xref": ["InChIKey:BTCRKOKVYTVOLU-SJSRKZJXSA-N", "SMILES:OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Bexagliflozin", "Bexagliflozin", "Bexagliflozin", "Bexagliflozine", "Bexagliflozina", "Bexagliflozin", "Brenzavvy", "EGT-0001442", "EGT-1442", "EGT0001442", "EGT1442", "THR-1442", "THR1442", "Brenzavvy", "Bexagliflozin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Bcl-2-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4625"], "id": "UniProtKB:Q07817", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bcl-2-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4677"], "id": "UniProtKB:Q92843", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Induced myeloid leukemia cell differentiation protein Mcl-1", "xref": ["CHEMBL.TARGET:CHEMBL4361"], "id": "UniProtKB:Q07820", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bcl-2-related protein A1", "xref": ["CHEMBL.TARGET:CHEMBL6044"], "id": "UniProtKB:Q16548", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bcl-2-like protein 10", "xref": ["CHEMBL.TARGET:CHEMBL5988"], "id": "UniProtKB:Q9HD36", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E-selectin", "xref": ["CHEMBL.TARGET:CHEMBL3890"], "id": "UniProtKB:P16581", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "L-selectin", "xref": ["CHEMBL.TARGET:CHEMBL3161"], "id": "UniProtKB:P14151", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone deacetylase 11", "xref": ["CHEMBL.TARGET:CHEMBL3310"], "id": "UniProtKB:Q96DB2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone deacetylase 8", "xref": ["CHEMBL.TARGET:CHEMBL3192"], "id": "UniProtKB:Q9BY41", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caspase-1", "xref": ["CHEMBL.TARGET:CHEMBL4801"], "id": "UniProtKB:P29466", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caspase-9", "xref": ["CHEMBL.TARGET:CHEMBL2273"], "id": "UniProtKB:P55211", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fibroblast growth factor 2", "xref": ["CHEMBL.TARGET:CHEMBL3107"], "id": "UniProtKB:P09038", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fibroblast growth factor 1", "xref": ["CHEMBL.TARGET:CHEMBL2120"], "id": "UniProtKB:P05230", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tumor necrosis factor ligand superfamily member 13", "xref": ["CHEMBL.TARGET:CHEMBL3713436"], "id": "UniProtKB:O75888", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2096675", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-V/beta-5"}
{"name": "Group 10 secretory phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL4342"], "id": "UniProtKB:O15496", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phospholipase A2 group V", "xref": ["CHEMBL.TARGET:CHEMBL4323"], "id": "UniProtKB:P39877", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1169", "category": ["biolink:ChemicalEntity"], "name": "AMINOSALICYLIC ACID", "xref": ["InChIKey:WUBBRNOQWQTFEX-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)O)c(O)c1"], "synonym": ["4-aminosalicylic acid", "Aminosalicylic acid", "Aminosalicylic acid", "Para-aminosalicylic acid", "Aminosalicylic acid", "Aminosalicylic acid resin complex", "P-aminosalicylic acid", "Aminosalicylate", "Aminosalicylic acid", "Benzoic acid, 4-amino-2-hydroxy-", "Para-aminosalicylic acid", "Pas", "NSC-2083", "Aminosalicylic acid component of neopasalate", "Granupas", "Granupas (previously para-aminosalicylic acid lucane)", "Parasal", "Paser", "Rezipas", "Aminosalicylic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Dihydrofolate reductase", "xref": ["CHEMBL.TARGET:CHEMBL6065"], "id": "UniProtKB:P9WNX1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468", "category": ["biolink:ChemicalEntity"], "name": "THALIDOMIDE", "xref": ["InChIKey:UEJJHQNACJXSKW-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1"], "synonym": ["Thalidomide", "Thalidomide", "Thalidomide", "Thalidomide", "Thalidomide", "Thalidomide", "Talidomida", "Thalidomide", "Thalidomide", ".alpha.-phthalimidoglutarimide", "Celgene", "Contergan", "Distaval", "Myrin", "N-phthalylglutamic acid imide", "Neurosedyn", "Pantosediv", "Pharmion", "Softenon", "Thaled", "Thalidomide", "K-17", "NSC-527179", "NSC-66847", "Kevadon", "Talidex", "Thalidomide bms (previously thalidomide celgene)", "Thalidomide lipomed", "Thalomid", "Thalidomide", "Thalidomide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3833061", "category": ["biolink:MacromolecularComplex"], "name": "CRL4(CRBN) E3 ubiquitin ligase"}
{"id": "CHEMBL.COMPOUND:CHEMBL848", "category": ["biolink:ChemicalEntity"], "name": "LENALIDOMIDE", "xref": ["InChIKey:GOTYRUGSSMKFNF-UHFFFAOYSA-N", "SMILES:Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O"], "synonym": ["Lenalidomide", "Lenalidomide", "Lenalidomide", "Lenalidomide", "Lenalidomide", "Lenalidomide", "Lenalidomida", "Lenalidomide", "Lenalidomide", "CC-5013", "CDC-501", "NSC-747972", "SYP-1512", "Lenalidomide accord", "Lenalidomide mylan", "Revlimid", "Lenalidomide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL43452", "category": ["biolink:ChemicalEntity"], "name": "POMALIDOMIDE", "xref": ["InChIKey:UVSMNLNDYGZFPF-UHFFFAOYSA-N", "SMILES:Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"], "synonym": ["Pomalidomide", "Pomalidomide", "Pomalidomide", "Pomalidomide", "Pomalidomide", "Pomalidomida", "Pomalidomide", "Pomalidomide", "Actimid", "Pomalidomide", "CC-4047", "IMID 3", "IMID-3", "IMID3", "Imnovid", "Imnovid (previously pomalidomide celgene)", "Pomalidomide accord", "Pomalidomide krka", "Pomalidomide viatris", "Pomalidomide zentiva", "Pomalyst", "Pomalidomide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107913", "category": ["biolink:ChemicalEntity"], "name": "OPEBACAN", "synonym": ["Opebacan", "Opebacan", "Bactericidal permeability-increasing protein opebacan", "Neuprex", "Opebacan", "Rbpi21", "RBPI-21", "Opebacan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108081", "category": ["biolink:ChemicalEntity"], "name": "TRAFERMIN", "synonym": ["Trafermin", "Trafermin", "Trafermine", "Trafermina", "Trafermin", "CAB-2001", "RHBFGF", "Fiblast", "Recombinant human basic fibroblast growth factor (2-154)", "Trafermin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108380", "category": ["biolink:ChemicalEntity"], "name": "LIATERMIN", "synonym": ["Liatermin", "Liatermine", "Liatermina", "Gdnf liatermin", "Liatermin", "R-methugdnf", "Liatermin"]}
{"name": "GDNF family receptor alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL3833481"], "id": "UniProtKB:P56159", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108479", "category": ["biolink:ChemicalEntity"], "name": "RANPIRNASE", "synonym": ["Ranpirnase", "Ranpirnasa", "Ranpirnase", "Protein p-30", "Ranpirnase", "Ribonuclease (rana pipiens)", "P-30", "P-30 PROTEIN", "Onconase", "Ranpirnase"]}
{"id": "CHEMBL.TARGET:CHEMBL3833503", "category": ["biolink:NucleicAcidEntity"], "name": "tRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL296913", "category": ["biolink:ChemicalEntity"], "name": "PARECOXIB SODIUM", "xref": ["InChIKey:HQPVVKXJNZEAFW-UHFFFAOYSA-M", "SMILES:CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.[Na+]"], "synonym": ["Parecoxib sodium", "Parecoxib sodium", "Parecoxib sodium salt", "Parecoxib sodium", "SC-69124A", "Dynastat", "Parecoxib sodium"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2051955", "category": ["biolink:ChemicalEntity"], "name": "LEVOSIMENDAN", "xref": ["InChIKey:WHXMKTBCFHIYNQ-SECBINFHSA-N", "SMILES:C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1"], "synonym": ["Levosimendan", "Levosimendan", "Levosimendan", "(r)-simendan", "Levosimendan", "Simendan, (r)-", "(-)-OR-1259", "NSC-759644", "OR-1259", "OR1259", "Simdax", "Levosimendan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1568698", "category": ["biolink:ChemicalEntity"], "name": "GANAXOLONE", "xref": ["InChIKey:PGTVWKLGGCQMBR-FLBATMFCSA-N", "SMILES:CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Ganaxolone", "Ganaxolone", "Ganaxolone", "Ganaxolone", "Ganaxolona", "Ganaxolone", "Ganaxolone", "Ztalmy", "CCD 1042", "CCD-1042", "CCD1042", "DEA NO. 2401", "Ztalmy", "Ganaxolone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL413376", "category": ["biolink:ChemicalEntity"], "name": "SURAMIN HEXASODIUM", "xref": ["InChIKey:VAPNKLKDKUDFHK-UHFFFAOYSA-H", "SMILES:Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Suramin sodium", "Suramin sodium", "Suramine sodique", "Suramina de sodio", "Suramin sodium", "Nagananinum", "Naphuride", "Suramin hexasodium", "Suramin sodium", "Suraminum natricum", "BAY-205", "BAYER-205", "CI-1003", "FOURNEAU 309", "FOURNEAU-309", "NF-060", "NSC-758165", "Suramin hexasodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL59356", "category": ["biolink:ChemicalEntity"], "name": "ATRELEUTON", "xref": ["InChIKey:MMSNEKOTSJRTRI-LLVKDONJSA-N", "SMILES:C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O"], "synonym": ["Atreleuton", "Atreleuton", "A-85761", "A-85761.0", "ABBOTT-85761", "ABT-761", "VIA-2291", "Atreleuton"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458875", "category": ["biolink:ChemicalEntity"], "name": "CLEVUDINE", "xref": ["InChIKey:GBBJCSTXCAQSSJ-XQXXSGGOSA-N", "SMILES:Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O"], "synonym": ["Clevudine", "Clevudine", "Clevudina", "Clevudine", "Clevudine", "Levovir", "L-FMAU", "Clevudine"], "chembl_prodrug": true}
{"name": "Protein P", "xref": ["CHEMBL.TARGET:CHEMBL3833482"], "id": "UniProtKB:P03159", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:480116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118218", "category": ["biolink:ChemicalEntity"], "name": "IROFULVEN", "xref": ["InChIKey:NICJCIQSJJKZAH-AWEZNQCLSA-N", "SMILES:CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"], "synonym": ["Irofulven", "Irofulvene", "Irofulveno", "Irofulven", "(hydroxymethyl)acylfulvene", "6-hydroxymethylacylfulvene", "Irofulven", "LP-100", "MGI 114", "MGI-114", "MGI114", "NSC-683863", "Irofulven"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL19236", "category": ["biolink:ChemicalEntity"], "name": "MOXONIDINE", "xref": ["InChIKey:WPNJAUFVNXKLIM-UHFFFAOYSA-N", "SMILES:COc1nc(C)nc(Cl)c1NC1=NCCN1"], "synonym": ["Moxonidine", "Moxonidine", "Moxonidine", "Moxonidine", "Moxonidina", "Moxonidine", "Moxonidine", "BDF-5896", "BDF5896", "BE-5895", "BE5895", "LY-326869", "LY326869", "Cynt", "Fisiotens", "Normatens", "Physiotens", "Moxonidine"], "chembl_natural_product": true}
{"name": "Nischarin", "xref": ["CHEMBL.TARGET:CHEMBL3923"], "id": "UniProtKB:Q9Y2I1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279785", "category": ["biolink:ChemicalEntity"], "name": "MARIMASTAT", "xref": ["InChIKey:OCSMOTCMPXTDND-OUAUKWLOSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C"], "synonym": ["Marimastat", "Marimastat", "Marimastat", "Marimastat", "BB 2516", "BB-2516", "BB2516", "GI 5712", "GI-5712", "GI5712", "KB-R 8898", "NSC-719333", "TA 2516", "TA-2516", "TA2516", "Marimastat"], "chembl_natural_product": true}
{"name": "Matrix metalloproteinase-9", "xref": ["CHEMBL.TARGET:CHEMBL321"], "id": "UniProtKB:P14780", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515408", "category": ["biolink:ChemicalEntity"], "name": "MARIBAVIR", "xref": ["InChIKey:KJFBVJALEQWJBS-XUXIUFHCSA-N", "SMILES:CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O"], "synonym": ["Maribavir", "Maribavir", "Maribavir", "Maribavir", "Maribavir", "Livtencity", "Maribavir", "1263-W-94", "1263W94", "BW-1263W94", "GW-257406X", "Livtencity", "Maribavir"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Serine/threonine-protein kinase BGLF4", "xref": ["CHEMBL.TARGET:CHEMBL3833483"], "id": "UniProtKB:P0C731", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10376"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476960", "category": ["biolink:ChemicalEntity"], "name": "VOGLIBOSE", "xref": ["InChIKey:FZNCGRZWXLXZSZ-CIQUZCHMSA-N", "SMILES:OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O"], "synonym": ["Voglibose", "Voglibose", "Voglibosa", "Voglibose", "Voglibose", "Voglibose", "A-71100", "AO-128", "Basen", "Voglibose"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3833502", "category": ["biolink:ProteinFamily"], "name": "Alpha glucosidase"}
{"id": "CHEMBL.COMPOUND:CHEMBL298406", "category": ["biolink:ChemicalEntity"], "name": "ECOPIPAM", "xref": ["InChIKey:DMJWENQHWZZWDF-PKOBYXMFSA-N", "SMILES:CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21"], "synonym": ["Ecopipam", "Ecopipam"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL175", "category": ["biolink:ChemicalEntity"], "name": "DEXIBUPROFEN", "xref": ["InChIKey:HEFNNWSXXWATRW-JTQLQIEISA-N", "SMILES:CC(C)Cc1ccc([C@H](C)C(=O)O)cc1"], "synonym": ["Dexibuprofen", "Dexibuprofen", "Dexibuprofen", "Dexibuprofen", "Dexibuprofene", "Dexibuprofeno", "(s)-ibuprofen", "Dexibuprofen", "S-ibuprofen", "NSC-759814", "Seractil", "Dexibuprofen"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL14370", "category": ["biolink:ChemicalEntity"], "name": "REBOXETINE", "xref": ["InChIKey:CBQGYUDMJHNJBX-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1OC(c1ccccc1)C1CNCCO1"], "synonym": ["Reboxetine", "Reboxetine", "Reboxetine", "Reboxetina", "Reboxetine", "Edronax"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL432162", "category": ["biolink:ChemicalEntity"], "name": "TASOSARTAN", "xref": ["InChIKey:ADXGNEYLLLSOAR-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CC2"], "synonym": ["Tasosartan", "Tasosartan", "Tasosartan", "ANA-756", "WAY-ANA-756", "Tasosartan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1512580", "category": ["biolink:ChemicalEntity"], "name": "XALIPRODEN", "xref": ["InChIKey:WJJYZXPHLSLMGE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1"], "synonym": ["Xaliproden", "Xaliproden", "Xaliproden", "Xaliprodene", "Xaliprodeno", "Xaliproden", "Xaliproden", "SR 57746", "SR-57746", "SR57746", "Xaliproden"]}
{"id": "CHEMBL.COMPOUND:CHEMBL306823", "category": ["biolink:ChemicalEntity"], "name": "SODIUM DICHLOROACETATE", "xref": ["InChIKey:LUPNKHXLFSSUGS-UHFFFAOYSA-M", "SMILES:O=C([O-])C(Cl)Cl.[Na+]"], "synonym": ["Sodium dichloroacetate", "Dca sodium", "Sodium dichloroacetate", "CMI X-11S", "CPC-211", "DCA", "NSC-744479", "Ceresine", "Sodium dichloroacetate"]}
{"id": "CHEMBL.TARGET:CHEMBL2096665", "category": ["biolink:ProteinFamily"], "name": "Pyruvate dehydrogenase kinase"}
{"id": "CHEMBL.COMPOUND:CHEMBL2104745", "category": ["biolink:ChemicalEntity"], "name": "PAGOCLONE", "xref": ["InChIKey:HIUPRQPBWVEQJJ-UHFFFAOYSA-N", "SMILES:CC(C)CCC(=O)CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1"], "synonym": ["Pagoclone", "Pagoclona", "Pagoclone", "Pagoclone", "CI-1043", "IP 456", "IP-456", "IP456", "RP 62955", "RP-62955", "RP62955", "Pagoclone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL281398", "category": ["biolink:ChemicalEntity"], "name": "TERBOGREL", "xref": ["InChIKey:XUTLOCQNGLJNSA-RGVLZGJSSA-N", "SMILES:CC(C)(C)N/C(=N\\C#N)Nc1cccc(/C(=C\\CCCC(=O)O)c2cccnc2)c1"], "synonym": ["Terbogrel", "Terbogrel", "BIBV 308 SE", "BIBV-308-SE", "BIBV-308SE", "Terbogrel"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL225071", "category": ["biolink:ChemicalEntity"], "name": "RALTITREXED", "xref": ["InChIKey:IVTVGDXNLFLDRM-HNNXBMFYSA-N", "SMILES:Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1"], "synonym": ["Raltitrexed", "Raltitrexed", "Raltitrexed", "Raltitrexed", "Raltitrexed", "Raltitrexed", "Raltitrexed", "ZD-16", "ZD-1694", "ZD1694", "Tomudex", "Raltitrexed"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL355200", "category": ["biolink:ChemicalEntity"], "name": "ENILURACIL", "xref": ["InChIKey:JOZGNYDSEBIJDH-UHFFFAOYSA-N", "SMILES:C#Cc1c[nH]c(=O)[nH]c1=O"], "synonym": ["Eniluracil", "Eniluracil", "Eniluracilo", "Eniluracil", "Eniluracil", "776-C-85", "776C85", "Eniluracil"], "chembl_natural_product": true}
{"name": "Dihydropyrimidine dehydrogenase [NADP(+)]", "xref": ["CHEMBL.TARGET:CHEMBL3172"], "id": "UniProtKB:Q12882", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105872", "category": ["biolink:ChemicalEntity"], "name": "IBUTAMOREN MESYLATE", "xref": ["InChIKey:DUGMCDWNXXFHDE-VZYDHVRKSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CS(=O)(=O)O"], "synonym": ["Ibutamoren mesilate", "Ibutamoren mesylate", "MK-0677", "MK-677", "Ibutamoren mesylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29609", "category": ["biolink:ChemicalEntity"], "name": "PLECONARIL", "xref": ["InChIKey:KQOXLKOJHVFTRN-UHFFFAOYSA-N", "SMILES:Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1"], "synonym": ["Pleconaril", "Pleconaril", "Pleconarilo", "Pleconaril", "Pleconaril", "VP 63843", "VP-63843", "VP63843", "WIN 63843", "WIN-63843", "WIN63843", "Pleconaril"]}
{"name": "VP1 capsid protein", "synonym": ["Genome polyprotein"], "xref": ["CHEMBL.TARGET:CHEMBL3833484"], "id": "UniProtKB:Q7T664", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:12134"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1206690", "category": ["biolink:ChemicalEntity"], "name": "PARECOXIB", "xref": ["InChIKey:TZRHLKRLEZJVIJ-UHFFFAOYSA-N", "SMILES:CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1"], "synonym": ["Parecoxib", "Parecoxib", "Parecoxib", "Parecoxib", "Parecoxib", "Parecoxib", "Rayzon", "Xapit", "SC-69124", "Rayzon", "Xapit", "Parecoxib"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL359164", "category": ["biolink:ChemicalEntity"], "name": "TROXACITABINE", "xref": ["InChIKey:RXRGZNYSEHTMHC-BQBZGAKWSA-N", "SMILES:Nc1ccn([C@@H]2CO[C@H](CO)O2)c(=O)n1"], "synonym": ["Troxacitabine", "Troxacitabina", "Troxacitabine", "Troxacitabine", "Troxatyl", "(-)-ODDC", "BCH-4556", "Troxacitabine", "Lamivudine impurity i", "Lamivudine impurity i rs"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1016", "category": ["biolink:ChemicalEntity"], "name": "CANDESARTAN", "xref": ["InChIKey:HTQMVQVXFRQIKW-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"], "synonym": ["Candesartan", "Candesartan", "Candesartan", "Blopress", "Candemore", "Candesartan", "CV-11974", "NSC-759858", "Candesartan", "Candesartan cilexetil related compound g"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL70972", "category": ["biolink:ChemicalEntity"], "name": "SERATRODAST", "xref": ["InChIKey:ZBVKEHDGYSLCCC-UHFFFAOYSA-N", "SMILES:CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O"], "synonym": ["Seratrodast", "Seratrodast", "Bronica", "A-73001", "AA-2414", "ABBOTT 73001", "ABBOTT-73001", "ABT-001", "NSC-759640", "Seratrodast"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL226267", "category": ["biolink:ChemicalEntity"], "name": "ARZOXIFENE", "xref": ["InChIKey:MCGDSOGUHLTADD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1"], "synonym": ["Arzoxifene", "Arzoxifeno", "Arzoxifene", "Arzoxifene", "LY-353381", "LY353381"], "chembl_natural_product": true}
{"name": "Serine/threonine protein kinase UL97", "xref": ["CHEMBL.TARGET:CHEMBL1287608"], "id": "UniProtKB:P16788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10360"]}
{"name": "Bone morphogenetic protein 10", "xref": ["CHEMBL.TARGET:CHEMBL3713453"], "id": "UniProtKB:O95393", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-13 receptor subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL3713941"], "id": "UniProtKB:Q14627", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109621", "category": ["biolink:ChemicalEntity"], "name": "ABITUZUMAB", "synonym": ["Abituzumab", "Abituzumab", "DI 17E6", "DI-17E6", "DI17E6", "EMD 525797", "EMD-525797"]}
{"id": "CHEMBL.TARGET:CHEMBL2111407", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-V/beta-1"}
{"id": "CHEMBL.TARGET:CHEMBL2111416", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-V/beta-6"}
{"id": "CHEMBL.TARGET:CHEMBL3430892", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-V/beta-8"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109623", "category": ["biolink:ChemicalEntity"], "name": "STX-100", "synonym": ["Stx-100", "STX-100"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109624", "category": ["biolink:ChemicalEntity"], "name": "CAPLACIZUMAB", "synonym": ["Caplacizumab", "Caplacizumab", "Caplacizumab-yhdp", "Caplacizumab", "Caplacizumab", "Caplacizumab", "Caplacizumab yhdp", "ALX-0081", "Cablivi", "Caplacizumab"], "chembl_availability_type": "prescription only"}
{"name": "von Willebrand factor", "xref": ["CHEMBL.TARGET:CHEMBL2021748"], "id": "UniProtKB:P04275", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109634", "category": ["biolink:ChemicalEntity"], "name": "ONCOLYSIN S", "synonym": ["ONCOLYSIN S"]}
{"name": "Neural cell adhesion molecule 1", "xref": ["CHEMBL.TARGET:CHEMBL3712938"], "id": "UniProtKB:P13591", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109637", "category": ["biolink:ChemicalEntity"], "name": "HUHMFG1", "synonym": ["Huhmfg1", "Humanized human milk fat globule-1 monoclonal antibody", "Humanized igg1 monoclonal antibody hmfg-1", "Moab huhmfg1", "AS1402", "HUHMFG1", "R1550"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109667", "category": ["biolink:ChemicalEntity"], "name": "SIMTUZUMAB", "synonym": ["Simtuzumab", "Simtuzumab", "AB-0024", "AB0024", "GS-6624", "Simtuzumab"]}
{"name": "Lysyl oxidase homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL3714029"], "id": "UniProtKB:Q9Y4K0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107877", "category": ["biolink:ChemicalEntity"], "name": "BLISIBIMOD", "synonym": ["Blisibimod", "Blisibimod", "A-623", "AMG 623", "AMG-623", "Blisibimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107911", "category": ["biolink:ChemicalEntity"], "name": "ONERCEPT", "synonym": ["Onercept", "Onercept", "R-HTBP-1", "Onercept"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108313", "category": ["biolink:ChemicalEntity"], "name": "CONBERCEPT", "synonym": ["Conbercept", "Conbercept", "Kh902", "KH-902"]}
{"name": "Vascular endothelial growth factor B", "xref": ["CHEMBL.TARGET:CHEMBL3580488"], "id": "UniProtKB:P49765", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vascular endothelial growth factor C", "xref": ["CHEMBL.TARGET:CHEMBL3714157"], "id": "UniProtKB:P49767", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364649", "category": ["biolink:ChemicalEntity"], "name": "MARGETUXIMAB", "synonym": ["Margetuximab", "Margetuximab-cmkb", "Margetuximab", "Margetuximab", "Margetuximab cmkb", "MGAH-22", "MGAH22", "Margenza", "Margetuximab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108354", "category": ["biolink:ChemicalEntity"], "name": "UBLITUXIMAB", "synonym": ["Ublituximab", "Ublituximab", "Ublituximab", "Ublituximab-xiiy", "Ublituximab", "Briumvi", "Ublituximab", "Ublituximab xiiy", "Ublituximab-xiiy", "EMAB-6", "EMAB6", "LFB-R 603", "LFBR-603", "LFBR603", "R-603", "R603", "TG-1101", "TG1101", "TGT-1101", "TGT1101", "TGTX-1101", "TGTX1101", "Briumvi", "Ublituximab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301587", "category": ["biolink:ChemicalEntity"], "name": "DURVALUMAB", "synonym": ["Durvalumab", "Durvalumab", "Durvalumab", "Durvalumab", "Durvalumab", "Durvalumab", "Durvalumab", "MEDI-4736", "MEDI4736", "Imfinzi", "Durvalumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039540", "category": ["biolink:ChemicalEntity"], "name": "ADUCANUMAB", "synonym": ["Aducanumab", "Aducanumab-avwa", "Aducanumab", "Aducanumab", "Aducanumab avwa", "BIIB-037", "BIIB037", "Aduhelm", "Aducanumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137353", "category": ["biolink:ChemicalEntity"], "name": "BIMAGRUMAB", "synonym": ["Bimagrumab", "Bimagrumab", "Bimagrumab", "O81t794r34", "BYM-338", "BYM338", "Bimagrumab"]}
{"name": "Activin receptor type-2B", "xref": ["CHEMBL.TARGET:CHEMBL5466"], "id": "UniProtKB:Q13705", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707357", "category": ["biolink:ChemicalEntity"], "name": "BROLUCIZUMAB", "synonym": ["Brolucizumab", "Brolucizumab", "Brolucizumab-dbll", "Brolucizumab", "Brolucizumab", "Brolucizumab dbll", "ESBA-1008", "ESBA1008", "RTH-258", "RTH258", "Beovu", "Brolucizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2364648", "category": ["biolink:ChemicalEntity"], "name": "GUSELKUMAB", "synonym": ["Guselkumab", "Guselkumab", "Guselkumab", "Guselkumab", "Guselkumab", "Guselkumab", "Guselkumab", "CNTO 1959", "CNTO-1959", "Tremfya", "Guselkumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707326", "category": ["biolink:ChemicalEntity"], "name": "BUROSUMAB", "synonym": ["Burosumab", "Burosumab", "Burosumab-twza", "Burosumab", "Burosumab", "Burosumab", "Burosumab twza", "KRN-23", "KRN23", "Crysvita", "Burosumab"]}
{"name": "Fibroblast growth factor 23", "xref": ["CHEMBL.TARGET:CHEMBL3713913"], "id": "UniProtKB:Q9GZV9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108681", "category": ["biolink:ChemicalEntity"], "name": "TILDRAKIZUMAB", "synonym": ["Tildrakizumab", "Tildrakizumab", "Tildrakizumab", "Tildrakizumab-asmn", "Tildrakizumab", "Tildrakizumab", "Tildrakizumab", "Tildrakizumab asmn", "MK-3222", "SCH-900222", "Ilumetri", "Ilumya", "Tildrakizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108568", "category": ["biolink:ChemicalEntity"], "name": "TREBANANIB", "synonym": ["Trebananib", "Trebananib", "Trebananib", "AMG 386", "AMG-386", "Trebananib"]}
{"name": "Angiopoietin-1", "xref": ["CHEMBL.TARGET:CHEMBL3217395"], "id": "UniProtKB:Q15389", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Angiopoietin-2", "xref": ["CHEMBL.TARGET:CHEMBL3580489"], "id": "UniProtKB:O15123", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742993", "category": ["biolink:ChemicalEntity"], "name": "BLOSOZUMAB", "synonym": ["Blosozumab", "Blosozumab", "LY-2541546", "LY2541546", "Blosozumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743000", "category": ["biolink:ChemicalEntity"], "name": "CITATUZUMAB BOGATOX", "synonym": ["Citatuzumab bogatox", "Citatuzumab bogatox", "VB6-845"]}
{"name": "Epithelial cell adhesion molecule", "xref": ["CHEMBL.TARGET:CHEMBL3580493"], "id": "UniProtKB:P16422", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743011", "category": ["biolink:ChemicalEntity"], "name": "ENAVATUZUMAB", "synonym": ["Enavatuzumab", "PDL 192", "PDL-192", "Enavatuzumab"]}
{"name": "Tumor necrosis factor receptor superfamily member 12A", "xref": ["CHEMBL.TARGET:CHEMBL3712850"], "id": "UniProtKB:Q9NP84", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743013", "category": ["biolink:ChemicalEntity"], "name": "ENSITUXIMAB", "synonym": ["Ensituximab", "Ensituximab", "NEO-101", "NEO-102", "NPC-1C", "Ensituximab"]}
{"name": "Mucin-5AC", "xref": ["CHEMBL.TARGET:CHEMBL3713020"], "id": "UniProtKB:P98088", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833344", "category": ["biolink:ChemicalEntity"], "name": "GANCOTAMAB", "synonym": ["Gancotamab", "Gancotamab", "MM-302", "Gancotamab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107890", "category": ["biolink:ChemicalEntity"], "name": "TAPLITUMOMAB PAPTOX", "synonym": ["Taplitumomab paptox"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108045", "category": ["biolink:ChemicalEntity"], "name": "PRITUMUMAB", "synonym": ["Pritumumab", "Pritumumab", "ACA-11", "ACA11", "CLN-IGG", "CLNH-11", "CLNH11", "CLNIGG"]}
{"name": "Vimentin", "xref": ["CHEMBL.TARGET:CHEMBL3712854"], "id": "UniProtKB:P08670", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108266", "category": ["biolink:ChemicalEntity"], "name": "CEDELIZUMAB", "synonym": ["Cedelizumab", "ORTHOCLONE OKT4 A", "RWJ 49004", "RWJ-49004", "Cedelizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108341", "category": ["biolink:ChemicalEntity"], "name": "SONTUZUMAB", "synonym": ["Sontuzumab", "AS-1402", "HUHMFG-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833357", "category": ["biolink:ChemicalEntity"], "name": "BEGELOMAB", "synonym": ["Begelomab", "Begelomab", "Begelomab", "BT 5/9", "SAND-26", "Begedina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833373", "category": ["biolink:ChemicalEntity"], "name": "AVELUMAB", "synonym": ["Avelumab", "Avelumab", "Avelumab", "Avelumab", "Avelumab", "Avelumab", "Avelumab", "Avelumab", "Msb-0010718c", "MSB-0010682", "MSB0010682", "MSB0010718C", "Bavencio", "Avelumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3833374", "category": ["biolink:ChemicalEntity"], "name": "ANDECALIXIMAB", "synonym": ["Andecaliximab", "Andecaliximab", "GS-5745", "GS5745", "Andecaliximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833320", "category": ["biolink:ChemicalEntity"], "name": "EPTINEZUMAB", "synonym": ["Eptinezumab", "Eptinezumab", "Eptinezumab-jjmr", "Eptinezumab", "Eptinezumab", "Eptinezumab jjmr", "ALD-403", "ALD403", "Vyepti", "Eptinezumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3832947", "category": ["biolink:ProteinFamily"], "name": "Calcitonin gene-related peptide"}
{"id": "CHEMBL.COMPOUND:CHEMBL3833329", "category": ["biolink:ChemicalEntity"], "name": "ERENUMAB", "synonym": ["Erenumab", "Erenumab", "Erenumab", "Erenumab-aooe", "Erenumab", "Erenumab", "Erenumab", "Erenumab aooe", "AMG 334", "AMG-334", "Aimovig", "Erenumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833393", "category": ["biolink:ChemicalEntity"], "name": "EMICIZUMAB", "synonym": ["Emicizumab", "Emicizumab", "Emicizumab", "Emicizumab", "Emicizumab", "Emicizumab", "Emicizumab kxwh", "Emicizumab-kxwh", "ACE-910", "ACE910", "Hemlibra", "Emicizumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2111424", "category": ["biolink:ProteinFamily"], "name": "Coagulation factor IX and X"}
{"id": "CHEMBL.COMPOUND:CHEMBL3833307", "category": ["biolink:ChemicalEntity"], "name": "SATRALIZUMAB", "synonym": ["Satralizumab", "Satralizumab", "Satralizumab", "Satralizumab", "Sapelizumab", "Satralizumab", "Satralizumab mwge", "Satralizumab-mwge", "RG6168", "SA-237", "SA237", "Enspryng", "Satralizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3137266", "category": ["biolink:MolecularActivity"], "name": "IL6Ralpha/GP130"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108734", "category": ["biolink:ChemicalEntity"], "name": "FLANVOTUMAB", "synonym": ["Flanvotumab", "Flanvotumab", "20-D-7S", "20D7S", "IMC-20D7S", "IMC20D7S", "Flanvotumab"]}
{"name": "5,6-dihydroxyindole-2-carboxylic acid oxidase", "xref": ["CHEMBL.TARGET:CHEMBL3712886"], "id": "UniProtKB:P17643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108678", "category": ["biolink:ChemicalEntity"], "name": "NESVACUMAB", "synonym": ["Nesvacumab", "Nesvacumab", "REGN-910", "REGN910", "Regn910", "Nesvacumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108258", "category": ["biolink:ChemicalEntity"], "name": "ATOROLIMUMAB", "synonym": ["Atorolimumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743079", "category": ["biolink:ChemicalEntity"], "name": "TEPROTUMUMAB", "synonym": ["Teprotumumab", "Teprotumumab-trbw", "Onilcamotide", "Teprotumumab", "Onilcamotide", "Rhoc peptide vaccine rv001v", "Tepezza", "Teprotumumab", "Teprotumumab trbw", "HZN-001", "HZN001", "R-1507", "RG-1507", "RG1507", "RO-4858696", "RO-4858696-000", "RO-4858696000", "RO4858696", "RO4858696-000", "RV-001", "RV-001 MONOCLONAL", "RV001", "RV001 MONOCLONAL", "Tepezza", "Teprotumumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1742983", "category": ["biolink:ChemicalEntity"], "name": "ALACIZUMAB PEGOL", "synonym": ["Alacizumab pegol", "Alacizumab pegol", "CDP-791", "g165 DFM-PEG", "Alacizumab pegol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742984", "category": ["biolink:ChemicalEntity"], "name": "AMATUXIMAB", "synonym": ["Amatuximab", "Amatuximab", "MORAb-009", "Amatuximab"]}
{"name": "Mesothelin", "xref": ["CHEMBL.TARGET:CHEMBL3712878"], "id": "UniProtKB:Q13421", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119625", "category": ["biolink:ChemicalEntity"], "name": "ZONAMPANEL", "xref": ["InChIKey:SPXYHZRWPRQLNS-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21"], "synonym": ["Zonampanel", "Ym 872", "Zonampanel", "Zonampanel anhydrous", "Zonampanel monohydrate", "YM 872 ANHYDROUS", "YM-872", "YM-872 ANHYDROUS", "YM872", "YM872 ANHYDROUS", "Zonampanel"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742985", "category": ["biolink:ChemicalEntity"], "name": "ANRUKINZUMAB", "synonym": ["Anrukinzumab", "Anrukinzumab", "IMA-638", "Anrukinzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742988", "category": ["biolink:ChemicalEntity"], "name": "BAMINERCEPT", "synonym": ["Baminercept", "Baminercept", "Baminercept alfa", "Baminercept alfa (rch)", "BG 9924", "BG-9924", "BG9924", "TT-47", "Baminercept"]}
{"id": "CHEMBL.TARGET:CHEMBL3833421", "category": ["biolink:MacromolecularComplex"], "name": "Heterotrimeric lymphotoxin LTa1b2"}
{"name": "Tumor necrosis factor ligand superfamily member 14", "xref": ["CHEMBL.TARGET:CHEMBL3712914"], "id": "UniProtKB:O43557", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742989", "category": ["biolink:ChemicalEntity"], "name": "BAVITUXIMAB", "synonym": ["Bavituximab", "Bavituximab", "CH3G4", "TARVACIN", "Bavituximab"]}
{"id": "CHEMBL.TARGET:CHEMBL3833422", "category": ["biolink:MolecularEntity"], "name": "Phosphatidylserine"}
{"id": "CHEMBL.COMPOUND:CHEMBL1742997", "category": ["biolink:ChemicalEntity"], "name": "CANTUZUMAB MERTANSINE", "synonym": ["Cantuzumab mertansine", "Cantuzumab mertansina", "HUC-242-DM1", "HUC242-DM1", "SB-408075", "Cantuzumab mertansine"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1742998", "category": ["biolink:ChemicalEntity"], "name": "CANTUZUMAB RAVTANSINE", "synonym": ["Cantuzumab ravtansine", "Cantuzumab ravtansina", "Cantuzumab ravtansine", "HUC242-DM4", "IMGN-242", "IMGN242", "Cantuzumab ravtansine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742999", "category": ["biolink:ChemicalEntity"], "name": "CARLUMAB", "synonym": ["Carlumab", "Carlumab", "CNTO 888", "CNTO-888", "Carlumab"]}
{"name": "C-C motif chemokine 2", "xref": ["CHEMBL.TARGET:CHEMBL1649052"], "id": "UniProtKB:P13500", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743001", "category": ["biolink:ChemicalEntity"], "name": "CIXUTUMUMAB", "synonym": ["Cixutumumab", "Cixutumumab", "IMC-A12", "NSC-742460", "Cixutumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743003", "category": ["biolink:ChemicalEntity"], "name": "CONATUMUMAB", "synonym": ["Conatumumab", "Conatumumab", "AMG 655", "AMG-655", "TRAIL-R2 MAB", "TRAIL-R2-MAB", "TRAIL-R2MAB XG1-048", "XG1-048", "Conatumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743004", "category": ["biolink:ChemicalEntity"], "name": "CRENEZUMAB", "synonym": ["Crenezumab", "Crenezumab", "MABT-5102A", "MABT5102A", "RG-7412", "RG7412", "Crenezumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743005", "category": ["biolink:ChemicalEntity"], "name": "DACETUZUMAB", "synonym": ["Dacetuzumab", "Dacetuzumab", "HU-S2C6", "HUS2C6", "SGN-40", "Dacetuzumab"]}
{"name": "Tumor necrosis factor receptor superfamily member 5", "xref": ["CHEMBL.TARGET:CHEMBL1250358"], "id": "UniProtKB:P25942", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743006", "category": ["biolink:ChemicalEntity"], "name": "DALOTUZUMAB", "synonym": ["Dalotuzumab", "Dalotuzumab", "MK 0646", "MK-0646", "MK0646", "Dalotuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743008", "category": ["biolink:ChemicalEntity"], "name": "DROZITUMAB", "synonym": ["Drozitumab", "Drozitumab", "ANTI-DR5", "ANTI-DR5 RHUMAB-DR5", "PRO-95780", "RHUMAB DR5", "RHUMAB-DR5", "Drozitumab", "Usp mab 003, monoclonal igg1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743012", "category": ["biolink:ChemicalEntity"], "name": "ENOKIZUMAB", "synonym": ["Enokizumab", "7f3com2h2", "Enokizumab", "7F3COM-2H2", "MEDI 528", "MEDI-528", "Enokizumab"]}
{"name": "Interleukin-9", "xref": ["CHEMBL.TARGET:CHEMBL3712932"], "id": "UniProtKB:P15248", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314357", "category": ["biolink:ChemicalEntity"], "name": "ETARACIZUMAB", "synonym": ["Etaracizumab", "Etaracizumab", "Vitaxin", "ETARATUZUMAB", "HLM60", "MEDI-522", "Abegrin", "Abegrin vitaxin", "Etaracizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743017", "category": ["biolink:ChemicalEntity"], "name": "FEZAKINUMAB", "synonym": ["Fezakinumab", "Fezakinumab", "ILV-094", "Fezakinumab"]}
{"name": "Interleukin-22", "xref": ["CHEMBL.TARGET:CHEMBL3712915"], "id": "UniProtKB:Q9GZX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743018", "category": ["biolink:ChemicalEntity"], "name": "FICLATUZUMAB", "synonym": ["Ficlatuzumab", "Ficlatuzumab", "AV 299", "AV-299", "SCH 900105", "SCH-900105", "Ficlatuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743022", "category": ["biolink:ChemicalEntity"], "name": "FRESOLIMUMAB", "synonym": ["Fresolimumab", "Fresolimumab", "GC-1008", "GC1008", "GZ-402669", "GZ402669", "Fresolimumab"]}
{"name": "Transforming growth factor beta-1 proprotein", "xref": ["CHEMBL.TARGET:CHEMBL1795178"], "id": "UniProtKB:P01137", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transforming growth factor beta-3 proprotein", "xref": ["CHEMBL.TARGET:CHEMBL3712903"], "id": "UniProtKB:P10600", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743028", "category": ["biolink:ChemicalEntity"], "name": "GLEMBATUMUMAB VEDOTIN", "synonym": ["Glembatumumab vedotin", "Glembatumumab vedotine", "Glembatumumab vedotina", "Glembatumumab vedotin", "CDX-011", "CR-011-VCMMAE", "Glembatumumab vedotin"]}
{"name": "Transmembrane glycoprotein NMB", "xref": ["CHEMBL.TARGET:CHEMBL3712919"], "id": "UniProtKB:Q14956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743029", "category": ["biolink:ChemicalEntity"], "name": "IBALIZUMAB", "synonym": ["Ibalizumab", "Ibalizumab", "Ibalizumab-uiyk", "Ibalizumab", "Ibalizumab", "Ibalizumab", "Ibalizumab-uiyk", "HU5A8", "TNX-355", "Trogarzo", "Ibalizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743030", "category": ["biolink:ChemicalEntity"], "name": "ICRUCUMAB", "synonym": ["Icrucumab", "Icrucumab", "IMC 18F1", "IMC-18F1", "IMC18F1", "Icrucumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743037", "category": ["biolink:ChemicalEntity"], "name": "LORVOTUZUMAB MERTANSINE", "synonym": ["Lorvotuzumab mertansine", "Lorvotuzumab mertansina", "Bb-10901", "Lorvotuzumab mertansine", "BB-10901", "HUN-901-DM1", "HUN-901DM1", "HUN901-DM1", "IMGN-901", "IMGN901", "Lorvotuzumab mertansine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743032", "category": ["biolink:ChemicalEntity"], "name": "INTETUMUMAB", "synonym": ["Intetumumab", "Intetumumab", "CNTO 095", "CNTO 95", "CNTO-095", "CNTO-95", "Intetumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743040", "category": ["biolink:ChemicalEntity"], "name": "MILATUZUMAB", "synonym": ["Milatuzumab", "Milatuzumab", "HLL1", "IMMU-115", "Milatuzumab"]}
{"name": "HLA class II histocompatibility antigen gamma chain", "xref": ["CHEMBL.TARGET:CHEMBL4692"], "id": "UniProtKB:P04233", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743044", "category": ["biolink:ChemicalEntity"], "name": "NAMILUMAB", "synonym": ["Namilumab", "Anti-hgm-csf igg1", "Namilumab", "MT-203", "MT203"]}
{"name": "Granulocyte-macrophage colony-stimulating factor", "xref": ["CHEMBL.TARGET:CHEMBL3712955"], "id": "UniProtKB:P04141", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743045", "category": ["biolink:ChemicalEntity"], "name": "NAPTUMOMAB ESTAFENATOX", "synonym": ["Naptumomab estafenatox", "Naptumomab estafenatox", "ABR-217620", "ANYARA", "ANYARA TTS CD3", "TTS-CD3"]}
{"name": "Trophoblast glycoprotein", "xref": ["CHEMBL.TARGET:CHEMBL3712934"], "id": "UniProtKB:Q13641", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743049", "category": ["biolink:ChemicalEntity"], "name": "OLARATUMAB", "synonym": ["Olaratumab", "Olaratumab", "Olaratumab", "Olaratumab", "Olaratumab", "Olaratumab", "IMC-3G3", "IMC3G3", "Lartruvo", "Olaratumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743050", "category": ["biolink:ChemicalEntity"], "name": "OLOKIZUMAB", "synonym": ["Olokizumab", "Olokizumab", "Olokizumab", "CDP-6038", "CDP6038"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743052", "category": ["biolink:ChemicalEntity"], "name": "OPORTUZUMAB MONATOX", "synonym": ["Oportuzumab monatox", "Oportuzumab monatox", "Oportuzumab monatox", "4D5MOCB-ETA", "VB4-845", "XD60E5X7FI", "Proxinium", "Proxinium, vicinium", "Vicineum", "Vicinium", "Oportuzumab monatox"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743054", "category": ["biolink:ChemicalEntity"], "name": "OZORALIZUMAB", "synonym": ["Ozoralizumab", "Ozoralizumab", "ATN 103", "ATN-103", "Ozoralizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743056", "category": ["biolink:ChemicalEntity"], "name": "PATECLIZUMAB", "synonym": ["Pateclizumab", "Pateclizumab", "MLTA-3698A", "MLTA3698A", "PRO-283698", "PRO283698", "RG-7416", "RG7415", "Pateclizumab"]}
{"name": "Lymphotoxin-alpha", "xref": ["CHEMBL.TARGET:CHEMBL2059"], "id": "UniProtKB:P01374", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743057", "category": ["biolink:ChemicalEntity"], "name": "PEGSUNERCEPT", "synonym": ["Pegsunercept", "Pegsunercept", "STNF-RI", "Pegsunercept"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743058", "category": ["biolink:ChemicalEntity"], "name": "PONEZUMAB", "synonym": ["Ponezumab", "Ponezumab", "PF-04360365", "RN-1219", "Ponezumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743064", "category": ["biolink:ChemicalEntity"], "name": "ROBATUMUMAB", "synonym": ["Robatumumab", "Robatumumab", "19D12", "SCH 717454", "SCH-717454", "Robatumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743065", "category": ["biolink:ChemicalEntity"], "name": "ROLEDUMAB", "synonym": ["Roledumab", "Roledumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743067", "category": ["biolink:ChemicalEntity"], "name": "SAMALIZUMAB", "synonym": ["Samalizumab", "Samalizumab", "ALXN-6000", "ALXN6000", "Samalizumab"]}
{"name": "OX-2 membrane glycoprotein", "xref": ["CHEMBL.TARGET:CHEMBL3712870"], "id": "UniProtKB:P41217", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743073", "category": ["biolink:ChemicalEntity"], "name": "SOTATERCEPT", "synonym": ["Sotatercept", "Sotatercept", "Sotatercept-csrk", "Sotatercept", "Sotatercept", "Sotatercept-csrk", "Winrevair", "ACE-001", "ACE-011", "ACE011", "Winrevair", "Sotatercept"], "chembl_availability_type": "prescription only"}
{"name": "Inhibin beta A chain", "xref": ["CHEMBL.TARGET:CHEMBL3588735"], "id": "UniProtKB:P08476", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743076", "category": ["biolink:ChemicalEntity"], "name": "TADOCIZUMAB", "synonym": ["Tadocizumab", "C4G1", "YM-337", "YM337", "Tadocizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743077", "category": ["biolink:ChemicalEntity"], "name": "TENATUMOMAB", "synonym": ["Tenatumomab"]}
{"name": "Tenascin", "xref": ["CHEMBL.TARGET:CHEMBL3712856"], "id": "UniProtKB:P24821", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743083", "category": ["biolink:ChemicalEntity"], "name": "TREGALIZUMAB", "synonym": ["Tregalizumab", "Tregalizumab", "BT-061"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743085", "category": ["biolink:ChemicalEntity"], "name": "URELUMAB", "synonym": ["Urelumab", "Urelumab", "BMS-663513", "Urelumab"]}
{"name": "Tumor necrosis factor receptor superfamily member 9", "xref": ["CHEMBL.TARGET:CHEMBL3712857"], "id": "UniProtKB:Q07011", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743086", "category": ["biolink:ChemicalEntity"], "name": "VATELIZUMAB", "synonym": ["Vatelizumab", "Vatelizumab", "GBR 500", "GBR-500", "SAR-339658", "SAR339658"]}
{"name": "Integrin alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL4998"], "id": "UniProtKB:P17301", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743088", "category": ["biolink:ChemicalEntity"], "name": "VELTUZUMAB", "synonym": ["Veltuzumab", "Veltuzumab", "HA20", "IMMU-106", "Veltuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107888", "category": ["biolink:ChemicalEntity"], "name": "TALIZUMAB", "synonym": ["Talizumab", "Talizumab", "Talizumab", "C21/AL-90", "HU-901", "TNX-901", "Talizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108018", "category": ["biolink:ChemicalEntity"], "name": "ADECATUMUMAB", "synonym": ["Adecatumumab", "Adecatumumab", "MT-201"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108029", "category": ["biolink:ChemicalEntity"], "name": "ERTUMAXOMAB", "synonym": ["Ertumaxomab", "Ertumaxomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108038", "category": ["biolink:ChemicalEntity"], "name": "MATUZUMAB", "synonym": ["Matuzumab", "Matuzumab", "EMD-72000"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108051", "category": ["biolink:ChemicalEntity"], "name": "STAMULUMAB", "synonym": ["Stamulumab", "Estamulumab", "Stamulumab", "MYO-029", "Stamulumab"]}
{"name": "Growth/differentiation factor 8", "xref": ["CHEMBL.TARGET:CHEMBL3407325"], "id": "UniProtKB:O14793", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108119", "category": ["biolink:ChemicalEntity"], "name": "PASCOLIZUMAB", "synonym": ["Pascolizumab", "Anti-il-4 antibody", "Pascolizumab", "ANTI-IL4", "SB-240683", "Pascolizumab"]}
{"name": "Interleukin-4", "xref": ["CHEMBL.TARGET:CHEMBL3712894"], "id": "UniProtKB:P05112", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108144", "category": ["biolink:ChemicalEntity"], "name": "TENELIXIMAB", "synonym": ["Teneliximab", "BMS-224819", "Teneliximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108167", "category": ["biolink:ChemicalEntity"], "name": "VEPALIMOMAB", "synonym": ["Vepalimomab", "Vapantix"]}
{"name": "Amine oxidase [copper-containing] 3", "xref": ["CHEMBL.TARGET:CHEMBL3437"], "id": "UniProtKB:Q16853", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108187", "category": ["biolink:ChemicalEntity"], "name": "CLENOLIXIMAB", "synonym": ["Clenoliximab", "CE9.GAMMA.4PE", "IDEC-151", "IDEC151"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108248", "category": ["biolink:ChemicalEntity"], "name": "ANATUMOMAB MAFENATOX", "synonym": ["Anatumomab mafenatox", "ABR-214936", "PNU-214936"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108370", "category": ["biolink:ChemicalEntity"], "name": "INOLIMOMAB", "synonym": ["Inolimomab", "Inolimomab", "Leukotac", "BT-563"]}
{"name": "Interleukin-2 receptor subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL1778"], "id": "UniProtKB:P01589", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108401", "category": ["biolink:ChemicalEntity"], "name": "ENLIMOMAB PEGOL", "synonym": ["Enlimomab pegol", "BIRR-1", "R6.5"]}
{"name": "Intercellular adhesion molecule 1", "xref": ["CHEMBL.TARGET:CHEMBL3070"], "id": "UniProtKB:P05362", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108431", "category": ["biolink:ChemicalEntity"], "name": "METELIMUMAB", "synonym": ["Metelimumab", "CAT-192"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108459", "category": ["biolink:ChemicalEntity"], "name": "FONTOLIZUMAB", "synonym": ["Fontolizumab", "Fontolizumab", "Fontolizumab", "HUZAF", "Fontolizumab"]}
{"name": "Interferon gamma", "xref": ["CHEMBL.TARGET:CHEMBL3286073"], "id": "UniProtKB:P01579", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108475", "category": ["biolink:ChemicalEntity"], "name": "PRILIXIMAB", "synonym": ["Priliximab", "CEN 000029", "CEN-000029", "CEN000029", "CM-MT412", "CMT-412", "MT-412", "Priliximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108489", "category": ["biolink:ChemicalEntity"], "name": "KELIXIMAB", "synonym": ["Keliximab", "IDEC CE-9.1", "IDEC-CE9.1", "SB-210396"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108501", "category": ["biolink:ChemicalEntity"], "name": "LABETUZUMAB", "synonym": ["Labetuzumab", "Labetuzumab", "HMN-14", "Labetuzumab"]}
{"name": "Carcinoembryonic antigen-related cell adhesion molecule 5", "synonym": ["Cell adhesion molecule CEACAM5"], "xref": ["CHEMBL.TARGET:CHEMBL3712881"], "id": "UniProtKB:P06731", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108575", "category": ["biolink:ChemicalEntity"], "name": "ASELIZUMAB", "synonym": ["Aselizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108589", "category": ["biolink:ChemicalEntity"], "name": "CLAZAKIZUMAB", "synonym": ["Clazakizumab", "Clazakizumab", "ALD-518", "ALD518", "BMS-945429", "Clazakizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108591", "category": ["biolink:ChemicalEntity"], "name": "ELSILIMOMAB", "synonym": ["Elsilimomab", "Anti-il-6 mab b-e8", "Antibody b-e8", "Mab b-e8"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108612", "category": ["biolink:ChemicalEntity"], "name": "IRATUMUMAB", "synonym": ["Iratumumab", "Iratumumab", "MDX-060", "Iratumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108621", "category": ["biolink:ChemicalEntity"], "name": "MAPATUMUMAB", "synonym": ["Mapatumumab", "Mapatumumab", "HGS-1012", "HGS-ETR1", "HGS1012", "TRAIL-R 1MAB", "TRAIL-R1 MAB", "TRM-1", "TRM-1 HGS-ETR1", "Mapatumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108660", "category": ["biolink:ChemicalEntity"], "name": "TUCOTUZUMAB CELMOLEUKIN", "synonym": ["Tucotuzumab celmoleukin", "Tucotuzumab celmoleukine", "Tucotuzumab celmoleukina", "Tucotuzumab celmoleukin", "EMD 273066", "EMD-273066", "HUKS-IL2", "KSA-INTERLEUKIN-2", "Tucotuzumab celmoleukin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108679", "category": ["biolink:ChemicalEntity"], "name": "OZANEZUMAB", "synonym": ["Ozanezumab", "Ozanezumab", "GSK-1223249", "GSK1223249", "Gsk1223249", "Ozanezumab"]}
{"name": "Reticulon-4", "xref": ["CHEMBL.TARGET:CHEMBL3712895"], "id": "UniProtKB:Q9NQC3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108720", "category": ["biolink:ChemicalEntity"], "name": "OXELUMAB", "synonym": ["Oxelumab", "Humab ox 40l", "Oxelumab", "HUMAB OX-40L", "HUMAB OX40L", "R-4930", "R-4930 HUMAB OX40L", "R-4930 HUMABOX40L", "R4930", "RO-49-89991", "RO-4989991", "RO4989991", "Oxelumab"]}
{"name": "Tumor necrosis factor ligand superfamily member 4", "xref": ["CHEMBL.TARGET:CHEMBL3712900"], "id": "UniProtKB:P23510", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108739", "category": ["biolink:ChemicalEntity"], "name": "PLACULUMAB", "synonym": ["Placulumab", "Placulumab", "ART-621", "ART-621 ( ANTI-TUMOUR NECROSIS FACTOR ALPHA ANTIBODY)", "ART621", "CEP-37247", "PN-0621", "PN0621", "Placulumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108742", "category": ["biolink:ChemicalEntity"], "name": "SIPLIZUMAB", "synonym": ["Siplizumab", "Siplizumab", "MEDI-507", "Siplizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108747", "category": ["biolink:ChemicalEntity"], "name": "TORALIZUMAB", "synonym": ["Toralizumab", "ANTI-CD154", "ANTI-CD40L", "ANTI-GP39", "E-6040", "IDEC-131", "Toralizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108785", "category": ["biolink:ChemicalEntity"], "name": "ZOLIMOMAB ARITOX", "synonym": ["Zolimomab aritox", "Orthozyme cd 5 plus", "Xoma zyme h 65", "H-65-RTA", "H-65RTA", "H65-RTA", "ZX-CD5", "Zolimomab aritox"]}
{"name": "T-cell surface glycoprotein CD5", "xref": ["CHEMBL.TARGET:CHEMBL3712888"], "id": "UniProtKB:P06127", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109057", "category": ["biolink:ChemicalEntity"], "name": "ECROMEXIMAB", "synonym": ["Ecromeximab", "Ecromeximab", "KM-871", "KM871", "KW-281", "KW-2871", "KW2871", "Ecromeximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109095", "category": ["biolink:ChemicalEntity"], "name": "ERLIZUMAB", "synonym": ["Erlizumab", "RHUMAB CD18", "RHUMAB-CD18", "Erlizumab"]}
{"name": "Integrin beta-2", "xref": ["CHEMBL.TARGET:CHEMBL3631"], "id": "UniProtKB:P05107", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109103", "category": ["biolink:ChemicalEntity"], "name": "BERTILIMUMAB", "synonym": ["Bertilimumab", "Bertilimumab", "CAT-213", "ICO-008"]}
{"name": "Eotaxin", "xref": ["CHEMBL.TARGET:CHEMBL3286077"], "id": "UniProtKB:P51671", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109151", "category": ["biolink:ChemicalEntity"], "name": "LUMILIXIMAB", "synonym": ["Lumiliximab", "Gomiliximab", "Lumiliximab", "Primatized anti-cd23", "IDEC-152", "P5E8 SI-3401 GOMILIXIMAB", "ST-152", "Gomiliximab", "Lumiliximab"]}
{"name": "Low affinity immunoglobulin epsilon Fc receptor", "xref": ["CHEMBL.TARGET:CHEMBL2940"], "id": "UniProtKB:P06734", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109224", "category": ["biolink:ChemicalEntity"], "name": "ROVELIZUMAB", "synonym": ["Rovelizumab", "HU-23F2G", "HU23F2G", "Leukarrest", "Rovelizumab"]}
{"id": "CHEMBL.TARGET:CHEMBL2111362", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-M/beta-2"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743020", "category": ["biolink:ChemicalEntity"], "name": "FORALUMAB", "synonym": ["Foralumab", "Foralumab", "NI-0401", "TZLS-401"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109263", "category": ["biolink:ChemicalEntity"], "name": "ING-1", "synonym": ["Ing-1", "HEMAB", "ING-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109267", "category": ["biolink:ChemicalEntity"], "name": "M195", "synonym": ["M195"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109271", "category": ["biolink:ChemicalEntity"], "name": "MDX-210", "synonym": ["520C9XH22", "MDX-210"]}
{"name": "High affinity immunoglobulin gamma Fc receptor I", "xref": ["CHEMBL.TARGET:CHEMBL5349"], "id": "UniProtKB:P12314", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109286", "category": ["biolink:ChemicalEntity"], "name": "COLTUXIMAB RAVTANSINE", "synonym": ["Coltuximab ravtansine", "Coltuximab ravtansina", "Coltuximab ravtansine", "SAR-3419", "SAR3419"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109300", "category": ["biolink:ChemicalEntity"], "name": "GSK933776", "synonym": ["Gsk933776", "GSK-933776", "GSK933776"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109308", "category": ["biolink:ChemicalEntity"], "name": "ONCOLYSIN B", "synonym": ["ONCOLYSIN B"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109321", "category": ["biolink:ChemicalEntity"], "name": "CAROTUXIMAB", "synonym": ["Carotuximab", "Carotuximab", "Trc105", "DE-122", "TRC-105", "c-SN6j", "Carotuximab"]}
{"name": "Endoglin", "xref": ["CHEMBL.TARGET:CHEMBL3712885"], "id": "UniProtKB:P17813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109332", "category": ["biolink:ChemicalEntity"], "name": "MLNM-2201", "synonym": ["LDP-01", "MLNM-2201"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109330", "category": ["biolink:ChemicalEntity"], "name": "IC14", "synonym": ["Atibuclimab", "Atibuclimab", "Ic14", "IC-14", "IC14"]}
{"name": "Monocyte differentiation antigen CD14", "xref": ["CHEMBL.TARGET:CHEMBL2384897"], "id": "UniProtKB:P08571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109334", "category": ["biolink:ChemicalEntity"], "name": "INEBILIZUMAB", "synonym": ["Inebilizumab", "Inebilizumab", "Inebilizumab-cdon", "Inebilizumab", "Inebilizumab", "Inebilizumab cdon", "MEDI-551", "MEDI551", "Uplizna", "Inebilizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109343", "category": ["biolink:ChemicalEntity"], "name": "LERONLIMAB", "synonym": ["Leronlimab", "Leronlimab", "PRO 140", "PRO-140", "PRO140", "Leronlimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109352", "category": ["biolink:ChemicalEntity"], "name": "BL22", "synonym": ["Bl22", "BL22", "CAT-3888"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109355", "category": ["biolink:ChemicalEntity"], "name": "DUSIGITUMAB", "synonym": ["Dusigitumab", "Dusigitumab", "MEDI-573", "MEDI573", "Dusigitumab"]}
{"name": "Insulin-like growth factor I", "synonym": ["Insulin-like growth factor 1"], "xref": ["CHEMBL.TARGET:CHEMBL3217394"], "id": "UniProtKB:P05019", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Insulin-like growth factor II", "synonym": ["Insulin-like growth factor 2"], "xref": ["CHEMBL.TARGET:CHEMBL3712957"], "id": "UniProtKB:P01344", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109357", "category": ["biolink:ChemicalEntity"], "name": "VELIGROTUG", "synonym": ["Veligrotug", "Veligrotug", "Veligrotug", "Ave 1642", "Ave-1642", "Veligrotug", "AVE-1642", "AVE1642", "VRDN-001", "WBP2363", "Veligrotug"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109364", "category": ["biolink:ChemicalEntity"], "name": "AR-20.5", "synonym": ["AR-20.5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109367", "category": ["biolink:ChemicalEntity"], "name": "LMB-2", "synonym": ["Lmb-2", "LMB-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109377", "category": ["biolink:ChemicalEntity"], "name": "PAMREVLUMAB", "synonym": ["Pamrevlumab", "Pamrevlumab", "FG-3019", "Pamrevlumab"]}
{"name": "CCN family member 2", "xref": ["CHEMBL.TARGET:CHEMBL3712901"], "id": "UniProtKB:P29279", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109379", "category": ["biolink:ChemicalEntity"], "name": "NI-0801", "synonym": ["Ni-0801", "NI-0801"]}
{"name": "C-X-C motif chemokine 10", "xref": ["CHEMBL.TARGET:CHEMBL3712964"], "id": "UniProtKB:P02778", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109381", "category": ["biolink:ChemicalEntity"], "name": "BHQ-880", "synonym": ["Bhq-880", "BHQ-880", "BHQ880"]}
{"name": "Dickkopf-related protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6024"], "id": "UniProtKB:O94907", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109384", "category": ["biolink:ChemicalEntity"], "name": "DEMCIZUMAB", "synonym": ["Demcizumab", "Demcizumab", "OMP-21M18", "Demcizumab"]}
{"name": "Delta-like protein 4", "xref": ["CHEMBL.TARGET:CHEMBL3712916"], "id": "UniProtKB:Q9NR61", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109387", "category": ["biolink:ChemicalEntity"], "name": "PARSATUZUMAB", "synonym": ["Parsatuzumab", "Parsatuzumab", "MEGF-0444A", "MEGF0444A", "RG-741", "RG-7414", "RG7414", "anti-EGFL7 monoclonal antibody", "Parsatuzumab"]}
{"name": "Epidermal growth factor-like protein 7", "xref": ["CHEMBL.TARGET:CHEMBL3712972"], "id": "UniProtKB:Q9UHF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109390", "category": ["biolink:ChemicalEntity"], "name": "MAB-425", "synonym": ["Mab-425", "MAB-425"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109391", "category": ["biolink:ChemicalEntity"], "name": "MDX-447", "synonym": ["Mdx-447", "EMD-82633", "MDX-447"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109389", "category": ["biolink:ChemicalEntity"], "name": "IMGATUZUMAB", "synonym": ["Imgatuzumab", "Imgatuzumab", "GA-201", "GA201", "HUMA-B", "HUMAB", "HuMAB<EGFR>", "RG-7160", "RG7160", "RO-5083945", "RO5083945", "Imgatuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364659", "category": ["biolink:ChemicalEntity"], "name": "ONTUXIZUMAB", "synonym": ["Ontuxizumab", "Ontecizumab", "Ontuxizumab", "MORAB-004", "Ontuxizumab"]}
{"name": "Endosialin", "xref": ["CHEMBL.TARGET:CHEMBL3712975"], "id": "UniProtKB:Q9HCU0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545071", "category": ["biolink:ChemicalEntity"], "name": "SERIBANTUMAB", "synonym": ["Seribantumab", "Seribantumab", "MM-121", "MM121", "SAR-256212", "SAR256212", "Seribantumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109410", "category": ["biolink:ChemicalEntity"], "name": "TB-402", "synonym": ["Tb-402", "TB-402"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109412", "category": ["biolink:ChemicalEntity"], "name": "L19SIP 131I", "synonym": ["L19sip 131i", "L19SIP"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109417", "category": ["biolink:ChemicalEntity"], "name": "EMD-273063", "synonym": ["Lorukafusp alfa", "Apn-301", "Emd-273063", "Hu 14.18il2", "APN301", "EMD 273063", "EMD-273063", "EMD273063", "HU14.18-IL2", "HU1418IL2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109418", "category": ["biolink:ChemicalEntity"], "name": "ANTI-GD2 MONOCLONAL ANTIBODY 3F8", "synonym": ["3f8", "Anti-gd2 monoclonal antibody 3f8", "Mab-3f8"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109421", "category": ["biolink:ChemicalEntity"], "name": "4B5", "synonym": ["4b5", "4B5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109426", "category": ["biolink:ChemicalEntity"], "name": "BIW-8962", "synonym": ["Biw-8962", "BIW-8962"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109427", "category": ["biolink:ChemicalEntity"], "name": "ZOLBETUXIMAB", "synonym": ["Zolbetuximab", "Zolbetuximab", "Zolbetuximab-clzb", "Zolbetuximab", "Claudiximab", "Zolbetuximab", "IMAB-362", "IMAB362", "Vyloy", "Zolbetuximab"], "chembl_availability_type": "prescription only"}
{"name": "Claudin-18", "xref": ["CHEMBL.TARGET:CHEMBL3712859"], "id": "UniProtKB:P56856", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298089", "category": ["biolink:ChemicalEntity"], "name": "CODRITUZUMAB", "synonym": ["Codrituzumab", "Codrituzumab", "Ro5137382", "GC-33", "GC33", "RG-7686", "RG7686", "RO-5137382", "RO5137382"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109433", "category": ["biolink:ChemicalEntity"], "name": "OTILIMAB", "synonym": ["Otilimab", "Otilimab", "GSK-3196165", "GSK3196165", "MOR-103", "MOR103", "Otilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109442", "category": ["biolink:ChemicalEntity"], "name": "PRO-542", "synonym": ["Pro-542", "PRO-542"]}
{"name": "Envelope glycoprotein gp160", "xref": ["CHEMBL.TARGET:CHEMBL1293311"], "id": "UniProtKB:Q6QLK5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109444", "category": ["biolink:ChemicalEntity"], "name": "AD-159", "synonym": ["AD-159"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109455", "category": ["biolink:ChemicalEntity"], "name": "AL-901", "synonym": ["AL-901"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109456", "category": ["biolink:ChemicalEntity"], "name": "QUILIZUMAB", "synonym": ["Quilizumab", "Quilizumab", "ANTI-M1", "Anti-M1 prime", "Anti-M1'", "MEMP-1972A", "MEMP1972A", "MEP-1972A", "MEP1972A", "RG-7449", "Quilizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109457", "category": ["biolink:ChemicalEntity"], "name": "LIGELIZUMAB", "synonym": ["Ligelizumab", "Ligelizumab", "QGE-031", "QGE031", "Ligelizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109458", "category": ["biolink:ChemicalEntity"], "name": "AMG-108", "synonym": ["Amg-108", "AMG-108"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109460", "category": ["biolink:ChemicalEntity"], "name": "SCH-708980", "synonym": ["Sch-708980", "SCH-708980"]}
{"name": "Interleukin-10", "xref": ["CHEMBL.TARGET:CHEMBL3712920"], "id": "UniProtKB:P22301", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109465", "category": ["biolink:ChemicalEntity"], "name": "QAX-576", "synonym": ["Dectrekumab", "Dectrekumab", "Qax-576", "Qax576", "QAX-576"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109467", "category": ["biolink:ChemicalEntity"], "name": "ORDESEKIMAB", "synonym": ["Ordesekimab", "Amg 714", "Humax il15", "Humax-il 15", "Ordesekimab", "Prv-015", "AMG 714", "AMG-714", "AMG714", "HuMax-IL-15", "MAb146B7", "PRV-015", "Ordesekimab"]}
{"name": "Interleukin-15", "xref": ["CHEMBL.TARGET:CHEMBL3712954"], "id": "UniProtKB:P40933", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109474", "category": ["biolink:ChemicalEntity"], "name": "TRX-1", "synonym": ["TRX-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109475", "category": ["biolink:ChemicalEntity"], "name": "PG-102", "synonym": ["Pg-102", "PG-102"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109478", "category": ["biolink:ChemicalEntity"], "name": "DAPIROLIZUMAB PEGOL", "synonym": ["Dapirolizumab pegol", "Cdp-7657", "Dapirolizumab pegol", "CDP7657"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109481", "category": ["biolink:ChemicalEntity"], "name": "ICM3", "synonym": ["ICM3"]}
{"name": "Intercellular adhesion molecule 3", "xref": ["CHEMBL.TARGET:CHEMBL3712862"], "id": "UniProtKB:P32942", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109482", "category": ["biolink:ChemicalEntity"], "name": "BI-505", "synonym": ["Bi-505", "BI-505"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109485", "category": ["biolink:ChemicalEntity"], "name": "ONCOLYSIN CD6", "synonym": ["ONCOLYSIN CD6"]}
{"name": "T-cell differentiation antigen CD6", "xref": ["CHEMBL.TARGET:CHEMBL3712853"], "id": "UniProtKB:P30203", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109487", "category": ["biolink:ChemicalEntity"], "name": "RG-1512", "synonym": ["RG-1512"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109498", "category": ["biolink:ChemicalEntity"], "name": "IPH-2101", "synonym": ["Iph-2101", "1-7F9", "IHP-2101", "IPH-2101", "IPH2101"]}
{"name": "Killer cell immunoglobulin-like receptor 2DL2", "xref": ["CHEMBL.TARGET:CHEMBL3833441"], "id": "UniProtKB:P43627", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Killer cell immunoglobulin-like receptor 2DL3", "xref": ["CHEMBL.TARGET:CHEMBL3713026"], "id": "UniProtKB:P43628", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Killer cell immunoglobulin-like receptor 2DL1", "xref": ["CHEMBL.TARGET:CHEMBL3712912"], "id": "UniProtKB:P43626", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109500", "category": ["biolink:ChemicalEntity"], "name": "LIRILUMAB", "synonym": ["Lirilumab", "Lirilumab", "Anti-KIR Antibody", "BMS-986015", "BMS-986015-01", "BMS-98601501", "IPH-2102", "IPH2102", "Lirilumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109511", "category": ["biolink:ChemicalEntity"], "name": "ONTAMALIMAB", "synonym": ["Ontamalimab", "Ontamalimab", "Shp647", "PF-00547659", "SHP-647", "SHP647"]}
{"name": "Mucosal addressin cell adhesion molecule 1", "xref": ["CHEMBL.TARGET:CHEMBL4467"], "id": "UniProtKB:Q13477", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109520", "category": ["biolink:ChemicalEntity"], "name": "ONCOLYSIN M", "synonym": ["ONCOLYSIN M"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545072", "category": ["biolink:ChemicalEntity"], "name": "LANDOGROZUMAB", "synonym": ["Landogrozumab", "Anti-myostatin antibody", "Landogrozumab", "LY-2495655", "LY2495655", "Landogrozumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109528", "category": ["biolink:ChemicalEntity"], "name": "FASINUMAB", "synonym": ["Fasinumab", "Fasinumab", "REGN-475", "REGN475", "SAR-164877", "SAR164877", "Fasinumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109530", "category": ["biolink:ChemicalEntity"], "name": "ASK-8007", "synonym": ["Ask-8007", "ASK-8007"]}
{"name": "Osteopontin", "xref": ["CHEMBL.TARGET:CHEMBL1741309"], "id": "UniProtKB:P10451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109539", "category": ["biolink:ChemicalEntity"], "name": "RG-7652", "synonym": ["RG-7652"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109544", "category": ["biolink:ChemicalEntity"], "name": "CDP-860", "synonym": ["CDP-860"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109555", "category": ["biolink:ChemicalEntity"], "name": "MDX-070", "synonym": ["MDX-070"]}
{"name": "Glutamate carboxypeptidase 2", "xref": ["CHEMBL.TARGET:CHEMBL1892"], "id": "UniProtKB:Q04609", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109562", "category": ["biolink:ChemicalEntity"], "name": "CAL", "synonym": ["Cal", "CAL"]}
{"name": "Parathyroid hormone-related protein", "xref": ["CHEMBL.TARGET:CHEMBL3712869"], "id": "UniProtKB:P12272", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109582", "category": ["biolink:ChemicalEntity"], "name": "81C6 131I", "synonym": ["81c6 131i", "81C6"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109583", "category": ["biolink:ChemicalEntity"], "name": "F16IL2", "synonym": ["F16il2", "F16IL2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109584", "category": ["biolink:ChemicalEntity"], "name": "F16SIP 131I", "synonym": ["F16sip 131i", "F16SIP"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109585", "category": ["biolink:ChemicalEntity"], "name": "LY-2382770", "synonym": ["Ly-2382770", "LY-2382770", "LY2382770"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109587", "category": ["biolink:ChemicalEntity"], "name": "AZ9773", "synonym": ["AZ-9773", "AZ9773"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109589", "category": ["biolink:ChemicalEntity"], "name": "L19TNFA", "synonym": ["L19tnfa", "L19TNFA"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109591", "category": ["biolink:ChemicalEntity"], "name": "TOL-101", "synonym": ["Tol-101", "TOL-101", "TOL101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109608", "category": ["biolink:ChemicalEntity"], "name": "L19IL2", "synonym": ["L19il2", "L19IL2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068160", "category": ["biolink:ChemicalEntity"], "name": "PACIBEKITUG", "synonym": ["Pacibekitug", "Pacibekitug", "Pacibekitug", "Pf-04236921", "PF 4236921", "PF-4236921", "TOUR-006", "TOUR006"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109616", "category": ["biolink:ChemicalEntity"], "name": "ABX-IL8", "synonym": ["Abx-il8", "ABX-IL8"]}
{"name": "Interleukin-8", "xref": ["CHEMBL.TARGET:CHEMBL2157"], "id": "UniProtKB:P10145", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314551", "category": ["biolink:ChemicalEntity"], "name": "ADAKITUG", "synonym": ["Adakitug", "Adakitug", "Adakitug", "A33 124i", "Adakitug", "Bms 986253", "Humax-il-8", "Humax-il8", "Humax-inflam", "BMS-986253", "BMS-986253-01", "BMS986253", "HUMAXIL8", "HuMax-IL8", "MDX-018", "aIL8", "Adakitug"]}
{"name": "Thromboxane-A synthase", "xref": ["CHEMBL.TARGET:CHEMBL1835"], "id": "UniProtKB:P24557", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545062", "category": ["biolink:ChemicalEntity"], "name": "VELPATASVIR", "xref": ["InChIKey:FHCUMDQMBHQXKK-CDIODLITSA-N", "SMILES:COC[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)COc3cc5c(ccc6nc([C@@H]7CC[C@H](C)N7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c65)cc3-4)c[nH]2)N(C(=O)[C@H](NC(=O)OC)c2ccccc2)C1"], "synonym": ["Velpatasvir", "Velpatasvir", "Velpatasvir", "Velpatasvir", "GS-5816", "Velpatasvir component of epclusa", "Velpatasvir component of vosevi", "Velpatasvir"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108336", "category": ["biolink:ChemicalEntity"], "name": "LIXISENATIDE", "synonym": ["Lixisenatide", "Lixisenatide", "Lixisenatide", "Lixisenatide", "Lixisenatida", "Lixisenatide", "Lixisenatide", "Lixisenatide", "AVE 010", "AVE-0010", "AVE-010", "AVE0010", "ZP 10", "ZP-10", "Lixisenatide component of soliqua 100/33", "Lyxumia", "Lixisenatide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108670", "category": ["biolink:ChemicalEntity"], "name": "BEZLOTOXUMAB", "synonym": ["Bezlotoxumab", "Bezlotoxumab", "Bezlotoxumab", "Bezlotoxumab", "Bezlotoxumab", "Bezlotoxumab", "Bezlotoxumab", "Mk-6072", "MBL-CDB1", "MDX-1388", "MK-6072", "Mdx-1388", "Zinplava", "Bezlotoxumab"], "chembl_availability_type": "prescription only"}
{"name": "Toxin B", "xref": ["CHEMBL.TARGET:CHEMBL3580505"], "id": "UniProtKB:P18177", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1496"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833368", "category": ["biolink:ChemicalEntity"], "name": "RUCAPARIB CAMSYLATE", "xref": ["InChIKey:INBJJAFXHQQSRW-STOWLHSFSA-N", "SMILES:CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"], "synonym": ["Rucaparib camsylate", "Rucaparib camsylate", "Rucaparib camsylate", "Rucaparib camsylate", "C0-338", "CO-338", "PF-1367338-BW", "Rubraca", "Rucaparib camsylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3833342", "category": ["biolink:ChemicalEntity"], "name": "NUSINERSEN SODIUM", "synonym": ["Nusinersen sodium", "Nusinersen sodium", "ISIS-396443 SODIUM", "Spinraza"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3826841", "category": ["biolink:NucleicAcidEntity"], "name": "SMN2 pre-mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707266", "category": ["biolink:ChemicalEntity"], "name": "RIBOCICLIB SUCCINATE", "xref": ["InChIKey:NHANOMFABJQAAH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1.O=C(O)CCC(=O)O"], "synonym": ["Ribociclib succinate", "Ribociclib succinate", "Birociclib", "LEE-011 SUCCINATE", "LEE-011-BBA", "LEE011-BBA", "Kisqali", "Ribociclib succinate component of kisqali femara co-pack", "Ribociclib succinate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL48582", "category": ["biolink:ChemicalEntity"], "name": "SAFINAMIDE MESYLATE", "xref": ["InChIKey:YKOCHIUQOBQIAC-YDALLXLXSA-N", "SMILES:CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O"], "synonym": ["Safinamide mesylate", "Safinamide methanesulfonate", "Safinamide mesylate", "Safinamide methanesulfonate", "Safinamide mesilate", "Safinamide mesylate", "Safinamide methanesulfonate", "Safinamide methansulfonate", "EMD 1195686", "NW 1015", "NW-1015", "PNU 151774E", "PNU-151774E", "Xadago", "Safinamide mesylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039508", "category": ["biolink:ChemicalEntity"], "name": "NALDEMEDINE TOSYLATE", "xref": ["InChIKey:WCYDLROFMZJJLE-RTMHEQJQSA-N", "SMILES:CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1.Cc1ccc(S(=O)(=O)O)cc1"], "synonym": ["Naldemedine tosilate", "Naldemedine tosylate", "Naldemedine tosylate", "Naldemedine tosilate", "Naldemedine tosilate", "Rizmoic", "Symproic", "Naldemedine tosylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105695", "category": ["biolink:ChemicalEntity"], "name": "TELOTRISTAT ETHYL", "xref": ["InChIKey:MDSQOJYHHZBZKA-GBXCKJPGSA-N", "SMILES:CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1"], "synonym": ["Telotristat ethyl", "Telotristat ethyl", "Telotristat ethyl", "LX 1032", "LX 1606", "LX-1032", "LX-1606", "LX1032", "LX1606", "Xermelo", "Telotristat ethyl"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201891", "category": ["biolink:ChemicalEntity"], "name": "DEFLAZACORT", "xref": ["InChIKey:FBHSPRKOSMHSIF-GRMWVWQJSA-N", "SMILES:CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C"], "synonym": ["Deflazacort", "Deflazacort", "Deflazacort", "Deflazacort", "Deflazacort", "Deflazacort", "Azacortinol", "Deflazacort", "DL-458IT", "L-5458", "MDL 458", "MDL-458", "MDL458", "Calcort", "Emflaza", "Zamene", "Deflazacort", "Deflazacort"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707374", "category": ["biolink:ChemicalEntity"], "name": "AMISELIMOD HYDROCHLORIDE", "xref": ["InChIKey:GEDVJGOVRLHFQG-UHFFFAOYSA-N", "SMILES:CCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F.Cl"], "synonym": ["Amiselimod hydrochloride", "MT-1303", "Amiselimod hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833321", "category": ["biolink:ChemicalEntity"], "name": "LECANEMAB", "synonym": ["Lecanemab", "Lecanemab", "Lecanemab-irmb", "Lecanemab", "Ban 2401", "Lecanemab", "Lecanemab irmb", "Lecanemab-irmb", "Leqembi", "BAN-2401", "BAN2401", "Leqembi", "Lecanemab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3833330", "category": ["biolink:ChemicalEntity"], "name": "CINPANEMAB", "synonym": ["Cinpanemab", "Cinpanemab", "Ni-202", "BIIB-054", "BIIB054", "Cinpanemab"]}
{"name": "Alpha-synuclein", "xref": ["CHEMBL.TARGET:CHEMBL6152"], "id": "UniProtKB:P37840", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833308", "category": ["biolink:ChemicalEntity"], "name": "LITIFILIMAB", "synonym": ["Litifilimab", "Litifilimab", "Litifilimab", "Biib 059", "Biib059", "Litifilimab", "24F4A", "BIIB-059", "BIIB059", "anti-BDCA2", "Litifilimab"]}
{"name": "C-type lectin domain family 4 member C", "xref": ["CHEMBL.TARGET:CHEMBL2176855"], "id": "UniProtKB:Q8WTT0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833346", "category": ["biolink:ChemicalEntity"], "name": "TOFERSEN", "synonym": ["Tofersen", "Tofersen", "Tofersen", "Tofersen", "Tofersen", "BIIB-067", "BIIB067", "ISIS-SOD1Rx", "Qalsody", "Tofersen"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3833461", "category": ["biolink:NucleicAcidEntity"], "name": "SOD1 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4204869", "category": ["biolink:ChemicalEntity"], "name": "ELENBECESTAT", "xref": ["InChIKey:AACUJFVOHGRMTR-DPXNYUHVSA-N", "SMILES:C[C@H]1OC[C@]2(c3cc(NC(=O)c4cnc(C(F)F)cn4)ccc3F)N=C(N)SC[C@H]12"], "synonym": ["Elenbecestat", "Elenbecestat", "E-2609", "E2609", "Elenbecestat"]}
{"name": "Beta-secretase 1", "xref": ["CHEMBL.TARGET:CHEMBL4822"], "id": "UniProtKB:P56817", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544922", "category": ["biolink:ChemicalEntity"], "name": "OPICINUMAB", "synonym": ["Opicinumab", "Opicinumab", "Anti-LINGO", "BIIB-033", "BIIB033", "Opicinumab"]}
{"name": "Leucine-rich repeat and immunoglobulin-like domain-containing nogo receptor-interacting protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3712965"], "id": "UniProtKB:Q96FE5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1540", "category": ["biolink:ChemicalEntity"], "name": "PENCICLOVIR", "xref": ["InChIKey:JNTOCHDNEULJHD-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2ncn(CCC(CO)CO)c2n1"], "synonym": ["Penciclovir", "Penciclovir", "Penciclovir", "Penciclovir", "Penciclovir", "Penciclovir", "Penciclovir", "BRL-39123", "NSC-759624", "Denavir", "Fenistil", "Vectavir", "Penciclovir", "Penciclovir"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL656", "category": ["biolink:ChemicalEntity"], "name": "OXYCODONE", "xref": ["InChIKey:BRUQQQPBMZOVGD-XFKAJCMBSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314"], "synonym": ["Oxycodone", "Oxycodone", "Oxycodone", "Oxycodone", "Oxycodone", "Oxicodona", "Oxycodone", "(-)-14-hydroxydihydrocodeinone", "14-hydroxydihydrocodeinone", "Dihydrone", "Oxicone", "Oxycodone", "Oxymorphone 3-methyl ether", "Pavinal", "Pti 821", "Remoxy", "Xtampza", "IDS-NO-002", "N02AA05", "NSC-19043", "PF-00345439", "PTI-821", "Proladone", "Xtampza er", "Oxycodone", "Oxycodone cii"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL94081", "category": ["biolink:ChemicalEntity"], "name": "ALCLOFENAC", "xref": ["InChIKey:ARHWPKZXBHOEEE-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(CC(=O)O)cc1Cl"], "synonym": ["Alclofenac", "Alclofenac", "Alclofenac", "Alclofenaco", "Alclofenac", "MY-101", "W 7320", "W-7320", "Allopydin", "Epinal", "Medifenac", "Mervan", "Neosten", "Neoston", "Prinalgin", "Reufenac", "Zumaril", "Alclofenac"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Prostaglandin G/H synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL221"], "id": "UniProtKB:P23219", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54349", "category": ["biolink:ChemicalEntity"], "name": "ALPIDEM", "xref": ["InChIKey:JRTIDHTUMYMPRU-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12"], "synonym": ["Alpidem", "Alpidem", "SL 80.0342-00", "SL-80.0342-00", "Alpidem"], "chembl_availability_type": "withdrawn"}
{"name": "Translocator protein", "xref": ["CHEMBL.TARGET:CHEMBL5742"], "id": "UniProtKB:P30536", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418995", "category": ["biolink:ChemicalEntity"], "name": "AMINEPTINE", "xref": ["InChIKey:ONNOFKFOZAJDHT-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21"], "synonym": ["Amineptine", "Amineptine", "Amineptina", "Amineptin", "Dea no. 1219"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2111341", "category": ["biolink:ProteinFamily"], "name": "Dopamine D1 and D2 receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL345524", "category": ["biolink:ChemicalEntity"], "name": "ANTRAFENINE", "xref": ["InChIKey:NWGGKKGAFZIVBJ-UHFFFAOYSA-N", "SMILES:O=C(OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12"], "synonym": ["Antrafenine", "Antrafenina"], "chembl_availability_type": "withdrawn"}
{"name": "Prostaglandin-H2 D-isomerase", "xref": ["CHEMBL.TARGET:CHEMBL3430865"], "id": "UniProtKB:P41222", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515914", "category": ["biolink:ChemicalEntity"], "name": "AZARIBINE", "xref": ["InChIKey:QQOBRRFOVWGIMD-OJAKKHQRSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O"], "synonym": ["Azaribine", "Azaribine", "Azaribina", "6-azauridine 2',3',5'-triacetate", "CB 304", "CB-304", "NSC-67239", "Triazure", "Azaribine"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Uridine 5'-monophosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL5216"], "id": "UniProtKB:P11172", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089221", "category": ["biolink:ChemicalEntity"], "name": "BENDAZAC", "xref": ["InChIKey:BYFMCKSPFYVMOU-UHFFFAOYSA-N", "SMILES:O=C(O)COc1nn(Cc2ccccc2)c2ccccc12"], "synonym": ["Bendazac", "Bendazac", "Bendazac", "Bendazaco", "Bendazac", "Bindazac", "Iwazac", "AF 1934 FREE ACID", "AF 1934 [LYSINE]", "AF-1934 FREE ACID", "AF-1934 LYSINE", "Bendazac"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL400599", "category": ["biolink:ChemicalEntity"], "name": "BENFLUOREX", "xref": ["InChIKey:CJAVTWRYCDNHSM-UHFFFAOYSA-N", "SMILES:CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1"], "synonym": ["Benfluorex", "Benfluorex", "Benfluorex", "Mediaxal", "NSC-757396"], "chembl_availability_type": "withdrawn"}
{"name": "Sterol O-acyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL2782"], "id": "UniProtKB:P35610", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL340978", "category": ["biolink:ChemicalEntity"], "name": "BENOXAPROFEN", "xref": ["InChIKey:MITFXPHMIHQXPI-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1"], "synonym": ["Benoxaprofen", "Benoxaprofen", "Benoxaprofen", "Benoxaprofene", "Benoxaprofeno", "Coxigon", "Opren", "COMPD 90459", "COMPOUND 90459", "COMPOUND-90459", "NSC-299582", "Oraflex", "Benoxaprofen"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Polyunsaturated fatty acid lipoxygenase ALOX12", "xref": ["CHEMBL.TARGET:CHEMBL3687"], "id": "UniProtKB:P18054", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232201", "category": ["biolink:ChemicalEntity"], "name": "BENZIODARONE", "xref": ["InChIKey:CZCHIEJNWPNBDE-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1"], "synonym": ["Benziodarone", "Benziodarone", "Benciodarona", "Amplivix", "L 2329", "L-2329", "NSC-82133"], "chembl_availability_type": "withdrawn"}
{"name": "Calmodulin-1", "xref": ["CHEMBL.TARGET:CHEMBL6093"], "id": "UniProtKB:P0DP23", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127516", "category": ["biolink:ChemicalEntity"], "name": "BUTAMBEN", "xref": ["InChIKey:IUWVALYLNVXWKX-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)c1ccc(N)cc1"], "synonym": ["Butamben", "Butyl aminobenzoate", "Butyl p-aminobenzoate", "Butyl paba", "P-aminobenzoic acid butyl ester", "ABBOTT-34842 FREE BASE", "NSC-128464", "Butesin", "Butamben", "Butamben"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3142541", "category": ["biolink:ChemicalEntity"], "name": "BUTAMBEN PICRATE", "xref": ["InChIKey:ATAGSVCDFKGYPE-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)c1ccc(N)cc1.CCCCOC(=O)c1ccc(N)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1"], "synonym": ["Butamben picrate", "Butyl aminobenzoate picrate", "ABBOTT-34842", "Butamben picrate"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1463345", "category": ["biolink:ChemicalEntity"], "name": "CANRENONE", "xref": ["InChIKey:UJVLDDZCTMKXJK-WNHSNXHDSA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1"], "synonym": ["Canrenone", "Canrenone", "Canrenona", "Canrenone", "Canrenone", "Spironolactone metabolite m1", "NSC-261713", "SC-9376", "Canrenone", "Spironolactone related compound a"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1256696", "category": ["biolink:ChemicalEntity"], "name": "CARBETAPENTANE CITRATE", "xref": ["InChIKey:AKJDEXBCRLOVTH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Carbetapentane citrate", "Loucarbate", "Pentoxyverine citrate", "Pentoxyverine hydrogen citrate", "NSC-757833", "Toclase"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL110691", "category": ["biolink:ChemicalEntity"], "name": "CHLORMADINONE ACETATE", "xref": ["InChIKey:QMBJSIBWORFWQT-DFXBJWIESA-N", "SMILES:CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "synonym": ["Chlormadinone", "Chlormadinone", "Chlormadinone", "Clormadinona", "Chlormadinone acetate", "Chlormadinone acetate", "Chlormadinone acetate", "Chlormadinone acetate", "Lutoral", "Normenon", "NSC-92338", "RS-1280", "Chlormadinone acetate"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL13376", "category": ["biolink:ChemicalEntity"], "name": "CLOMETACIN", "xref": ["InChIKey:DGMZLCLHHVYDIS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1"], "synonym": ["Clometacin", "Clometacine", "Clometacina", "C 1656", "C-1656", "R 3959", "R-3959"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL141305", "category": ["biolink:ChemicalEntity"], "name": "CYCLOFENIL", "xref": ["InChIKey:GVOUFPWUYJWQSK-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1"], "synonym": ["Cyclofenil", "Cyclofenil", "Cyclofenil", "Ciclofenilo", "Sexovid", "F 6066", "F-6066", "ICI 48213", "ICI-48213", "NSC-86464", "Neoclym", "Rehibin"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL53418", "category": ["biolink:ChemicalEntity"], "name": "DANTHRON", "xref": ["InChIKey:QBPFLULOKWLNNW-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(O)c2C(=O)c2c(O)cccc21"], "synonym": ["Dantron", "Dantron", "Dantrone", "Danthron", "Pilules vinchy n.f.", "NSC-38626", "NSC-646568", "Dorbane", "Istizin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1887891", "category": ["biolink:ChemicalEntity"], "name": "DEXFENFLURAMINE HYDROCHLORIDE", "xref": ["InChIKey:ZXKXJHAOUFHNAS-FVGYRXGTSA-N", "SMILES:CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1.Cl"], "synonym": ["Dexfenfluramine hydrochloride", "Fenfluramine d-form hydrochloride", "Adipomin", "D-fenfluramine hydrochloride", "Dexfenfluramine hcl", "Dexfenfluramine hydrochloride", "Fenfluramine d-form hydrochloride", "Glypolix", "Isomeride", "S 5614 HCL", "S-5614 HCL", "S-5614 HYDROCHLORIDE", "Adifax", "Dexfenfluramine hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2096904", "category": ["biolink:ProteinFamily"], "name": "Serotonin (5-HT) receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL3188576", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROSTREPTOMYCIN SULFATE", "xref": ["InChIKey:CZWJCQXZZJHHRH-YCRXJPFRSA-N", "SMILES:CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"], "synonym": ["Dihydrostreptomycin sulfate", "Dihydrostreptomycin sesquisulfate", "Dihydrostreptomycin sesquisulfate", "Dihydrostreptomycin sulfate", "Dihydrostreptomycin sulphate", "NSC-756739"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1204165", "category": ["biolink:ChemicalEntity"], "name": "DILEVALOL HYDROCHLORIDE", "xref": ["InChIKey:WQVZLXWQESQGIF-WJKBNZMCSA-N", "SMILES:C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1.Cl"], "synonym": ["Dilevalol hydrochloride", "Labetalol (r,r)-form hydrochloride", "Dilevalol hcl", "SCH 19927", "SCH-19927", "Dilevalol hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989803", "category": ["biolink:ChemicalEntity"], "name": "DIPYRONE", "xref": ["InChIKey:UNZIDPIPYUMVPA-UHFFFAOYSA-M", "SMILES:Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.O.[Na+]"], "synonym": ["Metamizole sodium", "Dipyrone", "Noramidopyrine methanesulfonate sodium", "Metamizole sodium", "Metamizole sodique", "Metamizol de sodio", "Sulpyrine", "Sulpyrine hydrate", "Dipyrone", "Analgin", "Dipyrone", "Dipyrone anhydrous", "Metamizol", "Metamizol monohydrate", "Metamizole sodium (anhydrous)", "Metamizole sodium hydrate", "Metamizole sodium monohydrate", "Metamizolum natricum anhydricum", "Methampyrone", "Novalgin", "Sulpyrine", "Sulpyrine hydrate", "NSC-73205", "NSC-758445", "Diprofarn", "Novaldin", "Dipyrone"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1742471", "category": ["biolink:ChemicalEntity"], "name": "EBROTIDINE", "xref": ["InChIKey:ZQHFZHPUZXNPMF-UHFFFAOYSA-N", "SMILES:NC(N)=Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1"], "synonym": ["Ebrotidine", "Ebrotidina"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2106155", "category": ["biolink:ChemicalEntity"], "name": "ENCAINIDE HYDROCHLORIDE", "xref": ["InChIKey:OJIIZIWOLTYOBS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1.Cl"], "synonym": ["Encainide hcl", "Encainide hydrochloride", "MJ 9067-1", "MJ-9067", "MJ-9067-1", "Enkaid", "Encainide hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL15677", "category": ["biolink:ChemicalEntity"], "name": "FENCLOFENAC", "xref": ["InChIKey:IDKAXRLETRCXKS-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl"], "synonym": ["Fenclofenac", "Fenclofenac", "Fenclofenac", "Fenclofenaco", "R 67408", "R-67408", "RX 67408", "RX-67408", "Fenclofenac"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2106217", "category": ["biolink:ChemicalEntity"], "name": "FENFLURAMINE HYDROCHLORIDE", "xref": ["InChIKey:ZXKXJHAOUFHNAS-UHFFFAOYSA-N", "SMILES:CCNC(C)Cc1cccc(C(F)(F)F)c1.Cl"], "synonym": ["Fenfluramine hydrochloride", "Fenfluramine hydrochloride", "Fenfluramine hydrochloride", "Fenfluramine hydrochloride", "Dl-fenfluramine hydrochloride", "Fenfluramine hcl", "Fenfluramine hydrochloride", "Ganal", "AHR-3002", "HHR-965", "Fintepla", "Ponderax", "Ponderax pacaps", "Fenfluramine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL32800", "category": ["biolink:ChemicalEntity"], "name": "FENOTEROL", "xref": ["InChIKey:LSLYOANBFKQKPT-UHFFFAOYSA-N", "SMILES:CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1"], "synonym": ["Fenoterol", "Fenoterol", "Fenoterol hydrobromide", "Fenoterol", "Fenoterol hydrobromide", "Fenoterol", "Airum", "Dosberotec", "Fenoterol", "Fenoterol hbr", "Partusisten", "NSC-757811", "TH 1165A", "TH 1165A FREE BASE", "TH 1165A [AS HYDROBROMIDE SALT]", "TH-1165", "TH-1165A", "TH-1165A FREE BASE", "Berodual", "Berodual n", "Berotec", "Berotec 100", "Berotec 200", "Duovent", "Fenoterol"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL13280", "category": ["biolink:ChemicalEntity"], "name": "FLUNITRAZEPAM", "xref": ["InChIKey:PPTYJKAXVCCBDU-UHFFFAOYSA-N", "SMILES:CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21"], "synonym": ["Flunitrazepam", "Flunitrazepam", "Flunitrazepam", "Flunitrazepam", "Flunitrazepam", "Flunitrazepam", "Flunitrazepam", "N05CD03", "RO 5-4200", "RO-5-4200", "RO-54200", "Rohypnol", "Flunitrazepam"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL146095", "category": ["biolink:ChemicalEntity"], "name": "GLAFENINE", "xref": ["InChIKey:GWOFUCIGLDBNKM-UHFFFAOYSA-N", "SMILES:O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12"], "synonym": ["Glafenine", "Glafenine", "Glafenina", "Glafenin", "NSC-757808", "R 1707", "R-1707"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL341812", "category": ["biolink:ChemicalEntity"], "name": "IBUFENAC", "xref": ["InChIKey:CYWFCPPBTWOZSF-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(CC(=O)O)cc1"], "synonym": ["Ibufenac", "Ibufenac", "Ibufenaco", "(p-isobutylphenyl)acetic acid", "NSC-99976", "RD 11654", "RD-11654", "Dytransin", "Ibufenac"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL276520", "category": ["biolink:ChemicalEntity"], "name": "INDALPINE", "xref": ["InChIKey:SADQVAVFGNTEOD-UHFFFAOYSA-N", "SMILES:c1ccc2c(CCC3CCNCC3)c[nH]c2c1"], "synonym": ["Indalpine", "Indalpina", "LM-5008"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL15870", "category": ["biolink:ChemicalEntity"], "name": "INDOPROFEN", "xref": ["InChIKey:RJMIEHBSYVWVIN-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1"], "synonym": ["Indoprofen", "Indoprofen", "Indoprofen", "Indoprofene", "Indoprofeno", "Bor-ind", "Flosin", "Flosint", "Isindone", "Praxis", "Reumofene", "K 4277", "K-4277", "NSC-757065", "Indoprofen"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL53292", "category": ["biolink:ChemicalEntity"], "name": "ISOXICAM", "xref": ["InChIKey:YYUAYBYLJSNDCX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1"], "synonym": ["Isoxicam", "Isoxicam", "NSC-758436", "W 8495", "W-8495", "Maxicam", "Isoxicam"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL404108", "category": ["biolink:ChemicalEntity"], "name": "LUMIRACOXIB", "xref": ["InChIKey:KHPKQFYUPIUARC-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1"], "synonym": ["Lumiracoxib", "Lumiracoxib", "Lumiracoxib", "Lumiracoxib", "Lumiracoxib", "Lumiracoxib", "COX-189", "Prexige", "Lumiracoxib"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1909283", "category": ["biolink:ChemicalEntity"], "name": "MEBANAZINE", "xref": ["InChIKey:HHRZAEJMHSGZNP-UHFFFAOYSA-N", "SMILES:CC(NN)c1ccccc1"], "synonym": ["Mebanazine", "Mebanazina", "Actamol"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1712842", "category": ["biolink:ChemicalEntity"], "name": "MEPAZINE ACETATE", "xref": ["InChIKey:COBIOCPXKOZHSU-UHFFFAOYSA-N", "SMILES:CC(=O)O.CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1"], "synonym": ["Pecazine acetate", "NND 1964"], "chembl_availability_type": "withdrawn"}
{"name": "Mucosa-associated lymphoid tissue lymphoma translocation protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3632452"], "id": "UniProtKB:Q9UDY8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1418176", "category": ["biolink:ChemicalEntity"], "name": "METHANDROSTENOLONE", "xref": ["InChIKey:XWALNWXLMVGSFR-HLXURNFRSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"], "synonym": ["Metandienone", "Methandienone", "Metandienone", "Metandienona", "Methandrostenolone", "Nerobol", "Perbolin", "NSC-42722", "Dianabol"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3187246", "category": ["biolink:ChemicalEntity"], "name": "METHAPYRILENE FUMARATE", "xref": ["InChIKey:OLGIEIJNOQGBSS-VQYXCCSOSA-N", "SMILES:CN(C)CCN(Cc1cccs1)c1ccccn1.CN(C)CCN(Cc1cccs1)c1ccccn1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O"], "synonym": ["Methapyrilene fumarate", "Methapyrilene fumarate"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1255739", "category": ["biolink:ChemicalEntity"], "name": "METHAPYRILENE HYDROCHLORIDE", "xref": ["InChIKey:BONORRGKLJBGRV-UHFFFAOYSA-N", "SMILES:CN(C)CCN(Cc1cccs1)c1ccccn1.Cl"], "synonym": ["Methapyrilene hydrochloride", "Methapyrilene hcl", "Methapyrilene hydrochloride", "NSC-758410"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL282052", "category": ["biolink:ChemicalEntity"], "name": "METHAQUALONE", "xref": ["InChIKey:JEYCTXHKTXCGPB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1c(C)nc2ccccc2c1=O"], "synonym": ["Methaqualone", "Methaqualone", "Methaqualone", "Metacualona", "Methaqualoneinone", "Metolquizolone", "CI-705", "CN 38703", "CN-38703", "NSC-111388", "NSC-111388-", "NSC-126877", "NSC-631628", "QZ-2", "R-148", "TR-495", "Methaqualone", "Methaqualone"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2106829", "category": ["biolink:ChemicalEntity"], "name": "METHAQUALONE HYDROCHLORIDE", "xref": ["InChIKey:KJUHIXIWKSVBKB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1c(C)nc2ccccc2c1=O.Cl"], "synonym": ["Methaqualone hydrochloride", "Methaqualone hcl", "Methaqualone hydrochloride", "NSC-75892"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL159226", "category": ["biolink:ChemicalEntity"], "name": "MOXISYLYTE", "xref": ["InChIKey:VRYMTAVOXVTQEF-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C"], "synonym": ["Moxisylyte", "Moxisylyte hydrochloride", "Moxisylyte", "Moxisilita", "Carlytene", "Moxisylyte hcl", "Thymoxamine hcl", "Thymoxamine hydrochloride", "NSC-170448", "Erecnos", "Moxivig"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109181", "category": ["biolink:ChemicalEntity"], "name": "NEBACUMAB", "synonym": ["Nebacumab", "Nebacumab", "Nebacumab", "Septomonab", "CENTOXIN", "HA 1A", "HA-1A", "SEPTOMONAB", "Centoxin", "Nebacumab"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1256841", "category": ["biolink:ChemicalEntity"], "name": "NIALAMIDE", "xref": ["InChIKey:NOIIUHRQUVNIDD-UHFFFAOYSA-N", "SMILES:O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1"], "synonym": ["Nialamide", "Nialamide", "Nialamida", "Niamid", "NSC-124514"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1909285", "category": ["biolink:ChemicalEntity"], "name": "NITREFAZOLE", "xref": ["InChIKey:NMTBSNPBIGRZBL-UHFFFAOYSA-N", "SMILES:Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1"], "synonym": ["Nitrefazole", "Nitrefazol", "EMD 15 700", "EMD-15-700"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2096668", "category": ["biolink:ProteinFamily"], "name": "Alcohol dehydrogenase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1256842", "category": ["biolink:ChemicalEntity"], "name": "NOMIFENSINE MALEATE", "xref": ["InChIKey:GEOCVSMCLVIOEV-BTJKTKAUSA-N", "SMILES:CN1Cc2c(N)cccc2C(c2ccccc2)C1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Hostalival", "Nomifensine hydrogen maleate", "Nomifensine maleate", "Psicronizer", "HOE 984", "HOE-984", "NSC-289114", "Alival (antidepressant)", "Merital", "Nomifensine maleate"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1334033", "category": ["biolink:ChemicalEntity"], "name": "PERHEXILINE MALEATE", "xref": ["InChIKey:JDZOTSLZMQDFLG-BTJKTKAUSA-N", "SMILES:C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Perhexiline maleate", "Perhexiline maleate", "Perhexilinum", "NSC-758409", "Pexid", "Pexsig", "Perhexiline maleate"], "chembl_availability_type": "withdrawn"}
{"name": "Carnitine O-palmitoyltransferase 1, muscle isoform", "xref": ["CHEMBL.TARGET:CHEMBL2216739"], "id": "UniProtKB:Q92523", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909286", "category": ["biolink:ChemicalEntity"], "name": "PHENOXYPROPAZINE", "xref": ["InChIKey:QNEXFJFTGQBXBJ-UHFFFAOYSA-N", "SMILES:CC(COc1ccccc1)NN"], "synonym": ["Fenoxypropazine", "Fenoxipropazina", "Phenoxypropazine"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL188952", "category": ["biolink:ChemicalEntity"], "name": "PIRPROFEN", "xref": ["InChIKey:PIDSZXPFGCURGN-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1"], "synonym": ["Pirprofen", "Pirprofen", "Pirprofen", "Pirprofene", "Pirprofeno", "Racemic pirprofen", "Rangasil 400", "Rengasil", "Seflenyl", "SU 21524", "SU-21524", "Pirprofen"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107943", "category": ["biolink:ChemicalEntity"], "name": "POLIDEXIDE SULFATE", "synonym": ["Polidexide sulfate", "Sulfate de polidexide", "Sulfato de polidexida", "Deae-sephadex"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL24072", "category": ["biolink:ChemicalEntity"], "name": "PRENYLAMINE", "xref": ["InChIKey:IFFPICMESYHZPQ-UHFFFAOYSA-N", "SMILES:CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1"], "synonym": ["Prenylamine", "Prenylamine", "Prenylamine", "Prenilamina", "Prenylamine lactate", "B-436", "Prenylamine"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL316561", "category": ["biolink:ChemicalEntity"], "name": "PROGLUMIDE", "xref": ["InChIKey:DGMKFQYCZXERLX-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1"], "synonym": ["Proglumide", "Proglumide", "Proglumide", "Proglumide", "Proglumida", "Proglumide", "Proglumide", "Binoside", "Dl-proglumide", "Gastrotopic", "Midelid", "Proglumide", "Promid", "Ulcutin", "Xylamide", "CR-242", "NSC-757841", "W-5219", "Milid", "Nulsa", "Xyde", "Proglumide"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2095185", "category": ["biolink:ProteinFamily"], "name": "Cholecystokinin receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL16476", "category": ["biolink:ChemicalEntity"], "name": "PRONETALOL", "xref": ["InChIKey:HRSANNODOVBCST-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1ccc2ccccc2c1"], "synonym": ["Pronetalol", "Pronethalol", "Dl-pronethalol", "Inetol", "Naphthylisoproterenol", "AY 6204 FREE BASE", "AY-6204 FREE BASE", "AY-6204 HCL", "COMPOUND 38174", "GNF-PF-2670", "ICI 38174 FREE BASE", "ICI-38174 FREE BASE"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105345", "category": ["biolink:ChemicalEntity"], "name": "PROPANIDID", "xref": ["InChIKey:KEJXLQUPYHWCNM-UHFFFAOYSA-N", "SMILES:CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1"], "synonym": ["Propanidid", "Propanidid", "Propanidid", "Propanidide", "BAYER 1420", "BAYER-1420", "FBA 1420", "FBA-1420", "TH-2180", "WH 5668", "WH-5668", "Epontol", "Propanidid"], "chembl_availability_type": "withdrawn"}
{"name": "Cholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL1914"], "id": "UniProtKB:P06276", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105233", "category": ["biolink:ChemicalEntity"], "name": "PROXIBARBAL", "xref": ["InChIKey:VNLMRPAWAMPLNZ-UHFFFAOYSA-N", "SMILES:C=CCC1(CC(C)O)C(=O)NC(=O)NC1=O"], "synonym": ["Proxibarbal", "Proxibarbal", "Axeen", "Centralgol", "Hydroxydial", "Ipronal", "HH-184"], "chembl_availability_type": "withdrawn"}
{"name": "Diamine oxidase [copper-containing]", "xref": ["CHEMBL.TARGET:CHEMBL2118"], "id": "UniProtKB:P19801", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104793", "category": ["biolink:ChemicalEntity"], "name": "PYROVALERONE HYDROCHLORIDE", "xref": ["InChIKey:MWRACNBZNVAJHE-UHFFFAOYSA-N", "SMILES:CCCC(C(=O)c1ccc(C)cc1)N1CCCC1.Cl"], "synonym": ["Centroton", "Pyrovalerone hcl", "Pyrovalerone hydrochloride", "Thymergix", "F 1983", "F-1983", "SP-1059", "Pyrovalerone hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2096990", "category": ["biolink:ProteinFamily"], "name": "Monoamine transporters; Norepinephrine & dopamine"}
{"id": "CHEMBL.COMPOUND:CHEMBL22242", "category": ["biolink:ChemicalEntity"], "name": "REMOXIPRIDE", "xref": ["InChIKey:GUJRSXAPGDDABA-NSHDSACASA-N", "SMILES:CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC"], "synonym": ["Remoxipride", "Remoxipride", "Remoxipride", "Remoxiprida", "A 33547", "A-33547", "A-33547.HCL.H20", "FLA 731", "FLA 731 FREE BASE", "FLA-731 FREE BASE", "FLA-731(-)", "Remoxipride"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989556", "category": ["biolink:ChemicalEntity"], "name": "REMOXIPRIDE HYDROCHLORIDE", "xref": ["InChIKey:SPFVHFBNXPARTR-IDMXKUIJSA-N", "SMILES:CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC.Cl.O"], "synonym": ["Remoxipride hydrochloride", "Remoxipride hydrochloride monohydrate", "Remoxipride hcl", "Remoxipride hydrochloride", "Remoxipride hydrochloride monohydrate", "(-)-FLA-731", "A 33547 HYDROCHLORIDE MONOHYDRATE", "A 33547.HCL.H20", "A 33547.HCL.H2O", "A-33547 HYDROCHLORIDE MONOHYDRATE", "FLA 731(-)", "FLA-731", "Roxiam", "Roxiam ir", "Remoxipride hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL111", "category": ["biolink:ChemicalEntity"], "name": "RIMONABANT", "xref": ["InChIKey:JZCPYUJPEARBJL-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"], "synonym": ["Rimonabant", "Rimonabant", "Rimonabant", "Rimonabant", "Rimonabant", "Rimonabant", "Rimonabant", "Zimulti", "SR-14171", "SR-141716", "SR-141716A", "SR141716", "Acomplia", "Zimulti", "Rimonabant"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL12713", "category": ["biolink:ChemicalEntity"], "name": "SERTINDOLE", "xref": ["InChIKey:GZKLJWGUPQBVJQ-UHFFFAOYSA-N", "SMILES:O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1"], "synonym": ["Sertindole", "Sertindole", "Sertindole", "Sertindole", "Sertindol", "Sertindole", "Serdolect", "Sertindole", "Zerdol", "LU 23-174", "LU-23-174", "Serlect", "Sertindole"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL282724", "category": ["biolink:ChemicalEntity"], "name": "SITAXENTAN", "xref": ["InChIKey:PHWXUGHIIBDVKD-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2"], "synonym": ["Sitaxentan", "Sitaxentan", "Sitaxsentan", "Sitaxentan", "IPI-1040", "TBC-11251", "Sitaxentan"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105740", "category": ["biolink:ChemicalEntity"], "name": "SITAXENTAN SODIUM", "xref": ["InChIKey:MDTNUYUCUYPIHE-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl)OCO2.[Na+]"], "synonym": ["Sitaxentan sodium", "Sitaxentan sodium", "Sitaxsentan sodium salt", "Sitaxentan sodium", "TBC-11251 SODIUM", "TBC-11251NA", "TBC-11251Z", "Thelin", "Sitaxentan sodium"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL70046", "category": ["biolink:ChemicalEntity"], "name": "SORIVUDINE", "xref": ["InChIKey:GCQYYIHYQMVWLT-HQNLTJAPSA-N", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/Br"], "synonym": ["Sorivudine", "Sorivudine", "Sorivudina", "Sorivudine", "Sorivudine", "Brovavir", "Bv-arau", "Sorivudine", "SO 32,756", "SO-32756", "SQ 32,756", "SQ-32756", "YN-72", "Bravavir", "Sorivudine"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "DNA polymerase catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL5944"], "id": "UniProtKB:P04292", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10306"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62193", "category": ["biolink:ChemicalEntity"], "name": "SULFADIMETHOXINE", "xref": ["InChIKey:ZZORFUFYDOWNEF-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1"], "synonym": ["Sulfadimethoxine", "Sulfadimethoxine", "Sulfadimethoxine", "Sulfadimetoxina", "NSC-683544", "NSC-757860", "Madribon"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107253", "category": ["biolink:ChemicalEntity"], "name": "SULFADIMETHOXINE SODIUM", "xref": ["InChIKey:DQDZQHMCPDUUPC-UHFFFAOYSA-N", "SMILES:COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(OC)n1.[Na+]"], "synonym": ["Sulfadimethoxine sodium salt", "Di-methox", "Sodium sulfadimethoxine", "Sulfadimethoxine sodium"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL268869", "category": ["biolink:ChemicalEntity"], "name": "SULFAMETHOXYPYRIDAZINE", "xref": ["InChIKey:VLYWMPOKSSWJAL-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1"], "synonym": ["Sulfamethoxypyridazine", "Sulfamethoxypyridazine", "Sulfamethoxypyridazine", "Sulfametoxipiridazina", "Depovernil", "Retasulphine", "Sulfamethoxypyridazinum", "CL-13494", "NSC-757875", "Lederkyn", "Succinylsulfathi", "Sulfasuxidine"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL404849", "category": ["biolink:ChemicalEntity"], "name": "SULOCTIDIL", "xref": ["InChIKey:BFCDFTHTSVTWOG-UHFFFAOYSA-N", "SMILES:CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1"], "synonym": ["Suloctidil", "Suloctidil", "Suloctidil", "Bemperil", "Cerebro", "Circleton", "Dulasi", "Duloctil", "Euvasal", "Fluversin", "Fluvisco", "Hemoantin", "Iangene", "Loctidon", "Locton", "Octamet", "Polivasal", "Sudil", "Sulocton", "Sulodene", "CP-556S", "MJF 12637", "MJF-12637", "Suloctidil"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107495", "category": ["biolink:ChemicalEntity"], "name": "TEMAFLOXACIN HYDROCHLORIDE", "xref": ["InChIKey:DDVJEYDLTXRYAJ-UHFFFAOYSA-N", "SMILES:CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1.Cl"], "synonym": ["Temafloxacin hydrochloride", "Temafloxacin hcl", "Temafloxacin hydrochloride", "ABBOTT-62254", "Omniflox", "Teflox", "Teflox 400", "Temafloxacin hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL17157", "category": ["biolink:ChemicalEntity"], "name": "TERFENADINE", "xref": ["InChIKey:GUGOEEXESWIERI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1"], "synonym": ["Terfenadine", "Terfenadine", "Terfenadine", "Terfenadine", "Terfenadina", "Terfenadine", "Terfenadine", "Terfenadine", "NSC-665802", "NSC-758627", "RMI 9918", "RMI-9918", "Antihistamine", "Histafen", "Histafen 120", "Seldane", "Terfenor", "Terfenor fte", "Terfex", "Terfinax 120", "Terfinax 60", "Triludan", "Triludan fte", "Terfenadine", "Terfenadine"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL539770", "category": ["biolink:ChemicalEntity"], "name": "TERODILINE HYDROCHLORIDE", "xref": ["InChIKey:RNGHAJVBYQPLAZ-UHFFFAOYSA-N", "SMILES:CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C.Cl"], "synonym": ["Terodiline hydrochloride", "Terodiline hydrochloride", "Micturin 12.5", "Micturin 25", "Terodiline hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105527", "category": ["biolink:ChemicalEntity"], "name": "TETRAZEPAM", "xref": ["InChIKey:IQWYAQCHYZHJOS-UHFFFAOYSA-N", "SMILES:CN1C(=O)CN=C(C2=CCCCC2)c2cc(Cl)ccc21"], "synonym": ["Tetrazepam", "Tetrazepam", "Myolastan", "CB 4261", "CB-4261"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105458", "category": ["biolink:ChemicalEntity"], "name": "THENALIDINE", "xref": ["InChIKey:KLOHYVOVXOUKQI-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2cccs2)c2ccccc2)CC1"], "synonym": ["Thenalidine", "Thenalidine", "Tenalidina", "Thenaldine", "Thenophenopiperidine"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL436", "category": ["biolink:ChemicalEntity"], "name": "TOLRESTAT", "xref": ["InChIKey:LUBHDINQXIHVLS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F"], "synonym": ["Tolrestat", "Tolrestat", "Tolrestat", "Tolrestat", "AY-27,773", "AY-27773", "Alderase", "Alredase", "Tolrestat"], "chembl_availability_type": "withdrawn"}
{"name": "Aldo-keto reductase family 1 member B1", "xref": ["CHEMBL.TARGET:CHEMBL1900"], "id": "UniProtKB:P15121", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187709", "category": ["biolink:ChemicalEntity"], "name": "TRIPARANOL", "xref": ["InChIKey:SYHDSBBKRLVLFF-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1"], "synonym": ["Triparanol", "NSC-65345"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Delta(24)-sterol reductase", "xref": ["CHEMBL.TARGET:CHEMBL2331059"], "id": "UniProtKB:Q15392", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105581", "category": ["biolink:ChemicalEntity"], "name": "VERALIPRIDE", "xref": ["InChIKey:RYJXBGGBZJGVQF-UHFFFAOYSA-N", "SMILES:C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC"], "synonym": ["Veralipride", "Veralipride", "Veralipride", "Veraliprida", "Agradil", "Agreal"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL522038", "category": ["biolink:ChemicalEntity"], "name": "XIMELAGATRAN", "xref": ["InChIKey:ZXIBCJHYVWYIKI-PZJWPPBQSA-N", "SMILES:CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(/C(N)=N\\O)cc1)C1CCCCC1"], "synonym": ["Ximelagatran", "Ximelagatran", "Ximelagatran", "Ximelagatran", "Exanta", "Ximelagatran", "H 376/95", "H-376/95", "Ximelagatran"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2355333", "category": ["biolink:ChemicalEntity"], "name": "ZIMELDINE HYDROCHLORIDE", "xref": ["InChIKey:WFUAVXYXJOQWAZ-GVKRCPFFSA-N", "SMILES:CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.Cl.O"], "synonym": ["Zimeldine dihydrochloride monohydrate", "Zimeldine hcl", "Zimeldine hydrochloride", "Zimelidine hydrochloride", "H 102/09 HYDROCHLORIDE", "H-102/09 HYDROCHLORIDE", "Zimeldine hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109248", "category": ["biolink:ChemicalEntity"], "name": "APOMAB", "synonym": ["PRO95780", "Apomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137350", "category": ["biolink:ChemicalEntity"], "name": "DIRIDAVUMAB", "synonym": ["Diridavumab", "Diridavumab", "CR-6261", "CR6261", "Diridavumab"]}
{"name": "Hemagglutinin", "xref": ["CHEMBL.TARGET:CHEMBL1075313"], "id": "UniProtKB:P03452", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:211044"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545259", "category": ["biolink:ChemicalEntity"], "name": "VANUCIZUMAB", "synonym": ["Vanucizumab", "C0u97738ae", "Vanucizumab", "RG-7221", "RG7221", "RO-5520985", "RO5520985", "Vanucizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108342", "category": ["biolink:ChemicalEntity"], "name": "GEMTUZUMAB", "synonym": ["Gemtuzumab", "Gemtuzumab", "Hp 67.6", "Gemtuzumab component of mylotarg"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109322", "category": ["biolink:ChemicalEntity"], "name": "AMG-820", "synonym": ["Amg 820", "Amg-820", "AMG-820", "AMG820"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545370", "category": ["biolink:ChemicalEntity"], "name": "EMACTUZUMAB", "synonym": ["Emactuzumab", "7i1955n5wx", "Emactuzumab", "CXD-301", "CXD301", "RG-7155", "RG7155", "RO-5509554", "RO5509554", "RO5509554 (ANTI-CSF-R1)", "Emactuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364653", "category": ["biolink:ChemicalEntity"], "name": "ANIFROLUMAB", "synonym": ["Anifrolumab", "Anifrolumab", "Anifrolumab-fnia", "Anifrolumab", "Anifrolumab", "Anifrolumab fnia", "MEDI-546", "Saphnelo", "Anifrolumab"], "chembl_availability_type": "prescription only"}
{"name": "Interferon alpha/beta receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1887"], "id": "UniProtKB:P17181", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109552", "category": ["biolink:ChemicalEntity"], "name": "YTTRIUM Y 90 CAPROMAB PENDETIDE", "synonym": ["90y-cyt-356", "Cyt-356 90y", "Yttrium y 90 capromab pendetide", "CYT-356-90Y", "CYT-356-Y-90", "Oncoltad"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109559", "category": ["biolink:ChemicalEntity"], "name": "J591 177LU", "synonym": ["J591 177lu", "177 LU-J591", "HUJ591-GS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109619", "category": ["biolink:ChemicalEntity"], "name": "TCN-032", "synonym": ["Tcn-032", "TCN-032"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095110", "category": ["biolink:ChemicalEntity"], "name": "BRIQUILIMAB", "synonym": ["Briquilimab", "Briquilimab", "Briquilimab", "Amg-191", "Briquilimab", "Jsp191", "AMG191", "JSP-191", "JSP191", "Briquilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109253", "category": ["biolink:ChemicalEntity"], "name": "HOKT3", "synonym": ["Hokt3", "HOKT3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364651", "category": ["biolink:ChemicalEntity"], "name": "TOVETUMAB", "synonym": ["Tovetumab", "Tovetumab", "MEDI-575", "Tovetumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108359", "category": ["biolink:ChemicalEntity"], "name": "NIMOTUZUMAB", "synonym": ["Nimotuzumab", "Nimotuzumab", "Nimotuzumab", "OSAG 101", "THERACIM-HR3", "THERALOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109388", "category": ["biolink:ChemicalEntity"], "name": "FUTUXIMAB", "synonym": ["Futuximab", "Futuximab", "992 DS", "992-DS", "SYM-004", "Sym004", "Futuximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707277", "category": ["biolink:ChemicalEntity"], "name": "DEPATUXIZUMAB MAFODOTIN", "synonym": ["Depatuxizumab mafodotin", "Depatuxizumab mafodotine", "Depatuxizumab mafodotina", "Abt-414", "Depatuxizumab mafodotin", "ABT-414", "Depatuxizumab mafodotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137345", "category": ["biolink:ChemicalEntity"], "name": "DULIGOTUZUMAB", "synonym": ["Duligotuzumab", "Duligotuzumab", "Duligotuzumab", "Duligotumab", "Duligotuzumab", "MEHD-7945A", "MEHD7945A", "RG-7597", "RG7597", "Duligotuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137351", "category": ["biolink:ChemicalEntity"], "name": "ABRILUMAB", "synonym": ["Abrilumab", "Abrilumab", "AMG 181", "AMG-181", "MEDI-7183", "MEDI7183", "Abrilumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545132", "category": ["biolink:ChemicalEntity"], "name": "MIRVETUXIMAB SORAVTANSINE", "synonym": ["Mirvetuximab soravtansine", "Mirvetuximab soravtansine", "Mirvetuximab soravtansine-gynx", "Mirvetuximab soravtansine", "Mirvetuximab soravtansina", "Elahere", "Mirvetuximab soravtansine", "Mirvetuximab soravtansine gynx", "Mirvetuximab soravtansine-gynx", "IMGN-853", "IMGN853", "Elahere", "Mirvetuximab soravtansine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109408", "category": ["biolink:ChemicalEntity"], "name": "LAMPALIZUMAB", "synonym": ["Lampalizumab", "Lampalizumab", "Sn578b8z9q", "AFD", "Anti-fD", "FCFD-4514S", "FCFD4514S", "RG-7417", "RG7417", "anti-FACTOR-D", "Lampalizumab"]}
{"name": "Complement factor D", "xref": ["CHEMBL.TARGET:CHEMBL2176771"], "id": "UniProtKB:P00746", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743041", "category": ["biolink:ChemicalEntity"], "name": "MOGAMULIZUMAB", "synonym": ["Mogamulizumab", "Mogamulizumab", "Mogamulizumab-kpkc", "Mogamulizumab", "Mogamulizumab", "Mogamulizumab (genetical recombination)", "Mogamulizumab", "Mogamulizumab", "Mogamulizumab kpkc", "Mogamulizumab-kpkc", "AMG-761", "KM-8761", "KM8761", "KW-0761", "Poteligeo", "Mogamulizumab"]}
{"name": "C-C chemokine receptor type 4", "xref": ["CHEMBL.TARGET:CHEMBL2414"], "id": "UniProtKB:P51679", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109586", "category": ["biolink:ChemicalEntity"], "name": "AMG-780", "synonym": ["Amg 780", "Amg-780", "AMG-780"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108666", "category": ["biolink:ChemicalEntity"], "name": "YTTRIUM Y 90 EPRATUZUMAB TETRAXETAN", "synonym": ["Yttrium y 90 epratuzumab tetraxetan", "(sup 90)y-dota-hll2", "90y-epratuzumab", "Y-90-dota-hll2", "Yttrium y 90 epratuzumab tetraxetan", "2F35K89X9W", "90Y-DOTA-HLL2", "S9S0Y-DOTA-HLL2", "Yttrium y 90 epratuzumab tetraxetan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108404", "category": ["biolink:ChemicalEntity"], "name": "EPRATUZUMAB", "synonym": ["Epratuzumab", "Epratuzumab", "Epratuzumab", "IMMU-HLL2", "Epratuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109630", "category": ["biolink:ChemicalEntity"], "name": "BC8 131I", "synonym": ["Bc8 131i", "BC8"]}
{"name": "Receptor-type tyrosine-protein phosphatase C", "xref": ["CHEMBL.TARGET:CHEMBL3243"], "id": "UniProtKB:P08575", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109480", "category": ["biolink:ChemicalEntity"], "name": "AHN-12", "synonym": ["Ahn-12", "AHN-12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109450", "category": ["biolink:ChemicalEntity"], "name": "AMG-811", "synonym": ["Amg-811", "AMG-811"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108680", "category": ["biolink:ChemicalEntity"], "name": "PIDILIZUMAB", "synonym": ["Pidilizumab", "Pidilizumab", "CT-011", "Ct-011", "Pidilizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545371", "category": ["biolink:ChemicalEntity"], "name": "DENINTUZUMAB MAFODOTIN", "synonym": ["Denintuzumab mafodotin", "Denintuzumab mafodotine", "Denintuzumab mafodotina", "Denintuzumab mafodotin", "SGN-19A", "SGN-CD19A", "SGNCD19A", "Denintuzumab mafodotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109425", "category": ["biolink:ChemicalEntity"], "name": "14G2A", "synonym": ["14g2a", "Antibody 14g2a monoclonal", "14G2A"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109036", "category": ["biolink:ChemicalEntity"], "name": "IGOVOMAB", "synonym": ["Igovomab", "Igovomab", "Indimacis 125", "Indimacis-125"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109571", "category": ["biolink:ChemicalEntity"], "name": "AMG-167", "synonym": ["Amg-167", "AMG-167"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109572", "category": ["biolink:ChemicalEntity"], "name": "ANTI-SCLEROSTIN", "synonym": ["ANTI-SCLEROSTIN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109259", "category": ["biolink:ChemicalEntity"], "name": "IGN-101", "synonym": ["IGN-101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108955", "category": ["biolink:ChemicalEntity"], "name": "EDRECOLOMAB", "synonym": ["Edrecolomab", "Edrecolomab", "Edrecolomab", "Edrecolomab", "Mab17-1a", "17-1A", "C-1", "MAB-17-1A", "Panorex", "Edrecolomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833372", "category": ["biolink:ChemicalEntity"], "name": "BRAZIKUMAB", "synonym": ["Brazikumab", "Brazikumab", "AMG-139", "MEDI-2070", "MEDI2070", "Brazikumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109535", "category": ["biolink:ChemicalEntity"], "name": "KBPA-101", "synonym": ["Kbpa-101", "AR-101", "KBPA-101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707324", "category": ["biolink:ChemicalEntity"], "name": "UTOMILUMAB", "synonym": ["Utomilumab", "Utomilumab", "PF-05082566", "PF-5082566", "Utomilumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742987", "category": ["biolink:ChemicalEntity"], "name": "ATINUMAB", "synonym": ["Atinumab", "Atinumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108708", "category": ["biolink:ChemicalEntity"], "name": "YTTRIUM Y 90 CLIVATUZUMAB TETRAXETAN", "synonym": ["Yttrium (90y) clivatuzumab tetraxetan", "Ytrio (90y) clivatuzumab tetraxetan", "Yttrium (90y) clivatuzumab tetraxetan", "Yttrium y 90 clivatuzumab tetraxetan", "90HY-PAM4", "90Y-HPAM4", "90Y-HPAMA4", "HPAM-4-DOTA", "HPAM-DOTA HY-PAM4", "HPAM4-DOTA", "IMMU-107", "S9S0HY-PAM4", "Hpam4-cide", "Pan-cide", "Yttrium y 90 clivatuzumab tetraxetan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301586", "category": ["biolink:ChemicalEntity"], "name": "CLIVATUZUMAB TETRAXETAN", "synonym": ["Clivatuzumab tetraxetan", "Clivatuzumab tetraxetan", "HPAM-4", "IMMU-107", "IgG-DOTA", "hPAM4", "Clivatucyn", "Clivatuzumab tetraxetan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301578", "category": ["biolink:ChemicalEntity"], "name": "EMIBETUZUMAB", "synonym": ["Emibetuzumab", "Emibetuzumab", "La-480", "C-8H241", "LA480", "LY-2875358", "LY2875358", "Emibetuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707328", "category": ["biolink:ChemicalEntity"], "name": "GALCANEZUMAB", "synonym": ["Galcanezumab", "Galcanezumab", "Galcanezumab-gnlm", "Galcanezumab", "Galcanezumab", "Galcanezumab", "Galcanezumab gnlm", "LY-2951742", "LY2951742", "Emgality", "Galcanezumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545131", "category": ["biolink:ChemicalEntity"], "name": "ISATUXIMAB", "synonym": ["Isatuximab", "Isatuximab", "Isatuximab-irfc", "Isatuximab", "Isatuximab", "Isatuximab irfc", "SAR-650984", "SAR650984", "Sarclisa", "Isatuximab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109468", "category": ["biolink:ChemicalEntity"], "name": "HUMAX-IL15", "synonym": ["HUMAX-IL15"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109643", "category": ["biolink:ChemicalEntity"], "name": "F19 131I", "synonym": ["F19 131i", "BIBH-1", "F19"]}
{"name": "Prolyl endopeptidase FAP", "xref": ["CHEMBL.TARGET:CHEMBL4683"], "id": "UniProtKB:Q12884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109314", "category": ["biolink:ChemicalEntity"], "name": "GS-CDA1", "synonym": ["Gs-cda1", "GS-CDA1"]}
{"name": "Botulinum neurotoxin type A", "xref": ["CHEMBL.TARGET:CHEMBL5192"], "id": "UniProtKB:P0DPI0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1491"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109488", "category": ["biolink:ChemicalEntity"], "name": "INCLACUMAB", "synonym": ["Inclacumab", "Inclacumab", "LC-1004-002", "LC1004-002", "RG1512", "RO-4905417", "RO4905417", "Inclacumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109396", "category": ["biolink:ChemicalEntity"], "name": "AMG-888", "synonym": ["Amg-888", "AMG-888", "U3-1287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109249", "category": ["biolink:ChemicalEntity"], "name": "AMG-557", "synonym": ["Prezalumab", "Amg-557", "Medi 5872", "Prezalumab", "AMG-557", "MEDI-5872"]}
{"name": "ICOS ligand", "xref": ["CHEMBL.TARGET:CHEMBL3712949"], "id": "UniProtKB:O75144", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108669", "category": ["biolink:ChemicalEntity"], "name": "YTTRIUM Y 90 TACATUZUMAB TETRAXETAN", "synonym": ["Yttrium (90y) tacatuzumab tetraxetan", "Ytrio (90y) tacatuzumab tetraxetan", "HAFP-31", "Afp-cide", "Yttrium y 90 tacatuzumab tetraxetan"]}
{"name": "Alpha-fetoprotein", "xref": ["CHEMBL.TARGET:CHEMBL3712864"], "id": "UniProtKB:P02771", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109494", "category": ["biolink:ChemicalEntity"], "name": "A27.15", "synonym": ["A27.15", "A27.15"]}
{"name": "Transferrin receptor protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3712860"], "id": "UniProtKB:P02786", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707327", "category": ["biolink:ChemicalEntity"], "name": "SUPTAVUMAB", "synonym": ["Suptavumab", "Suptavumab", "REGN-2222", "REGN2222", "SAR-438584", "SAR438584", "Suptavumab"]}
{"name": "Fusion glycoprotein F0", "xref": ["CHEMBL.TARGET:CHEMBL3856166"], "id": "UniProtKB:P03420", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11259"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109564", "category": ["biolink:ChemicalEntity"], "name": "CL-184", "synonym": ["Cl-184", "CL-184", "CR-57/CR-4098", "MIX OF CR-57 AND CR-4098"]}
{"name": "Glycoprotein", "xref": ["CHEMBL.TARGET:CHEMBL3856167"], "id": "UniProtKB:P03524", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11295"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743066", "category": ["biolink:ChemicalEntity"], "name": "RONTALIZUMAB", "synonym": ["Rontalizumab", "Rontalizumab", "RG-7415", "RHUMAB IFNALPHA", "RHUMAB-IFNALPHA", "Rontalizumab"]}
{"id": "CHEMBL.TARGET:CHEMBL3856161", "category": ["biolink:ProteinFamily"], "name": "Interferon alpha"}
{"name": "Low affinity immunoglobulin gamma Fc region receptor III-A", "xref": ["CHEMBL.TARGET:CHEMBL3856162"], "id": "UniProtKB:P08637", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545262", "category": ["biolink:ChemicalEntity"], "name": "SACITUZUMAB GOVITECAN", "synonym": ["Sacituzumab govitecan", "Sacituzumab govitecan", "Sacituzumab govitecan-hziy", "Sacituzumab govitecan", "Sacituzumab govitecan", "Sacituzumab govitecan hziy", "HRS7-SN38", "HRS7-SN38-ANTIBODY-DRUG-CONJUGATE", "HRS7SN38", "IMMU-132", "Trodelvy", "Sacituzumab govitecan"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Tumor-associated calcium signal transducer 2", "xref": ["CHEMBL.TARGET:CHEMBL3856163"], "id": "UniProtKB:P09758", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137354", "category": ["biolink:ChemicalEntity"], "name": "LULIZUMAB PEGOL", "synonym": ["Lulizumab pegol", "Lulizumab pegol", "BMS-931699", "Lulizumab pegol"]}
{"name": "T-cell-specific surface glycoprotein CD28", "xref": ["CHEMBL.TARGET:CHEMBL5191"], "id": "UniProtKB:P10747", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743039", "category": ["biolink:ChemicalEntity"], "name": "MAVRILIMUMAB", "synonym": ["Mavrilimumab", "Mavrilimumab", "CAM-3001", "CAM3001", "KPL-301", "Mavrilimumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109312", "category": ["biolink:ChemicalEntity"], "name": "MK-3415", "synonym": ["Actoxumab", "Actoxumab", "Mk-3415", "MDX-066", "MK-3415", "Actoxumab"]}
{"name": "Toxin A", "xref": ["CHEMBL.TARGET:CHEMBL3580504"], "id": "UniProtKB:P16154", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1496"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743038", "category": ["biolink:ChemicalEntity"], "name": "LUCATUMUMAB", "synonym": ["Lucatumumab", "Lucatumumab", "CHIR-12.12", "HCD-122", "HCD122", "Lucatumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137347", "category": ["biolink:ChemicalEntity"], "name": "VARLILUMAB", "synonym": ["Varlilumab", "Varlilumab", "CDX-1127", "Varlilumab"]}
{"name": "CD27 antigen", "xref": ["CHEMBL.TARGET:CHEMBL3713333"], "id": "UniProtKB:P26842", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108672", "category": ["biolink:ChemicalEntity"], "name": "VORSETUZUMAB MAFODOTIN", "synonym": ["Vorsetuzumab mafodotin", "Vorsetuzumab mafodotine", "Vorsetuzumab mafodotina", "Vorsetuzumab mafodotin", "SGN-75", "Sgn-75", "Vorsetuzumab mafodotin"]}
{"name": "CD70 antigen", "xref": ["CHEMBL.TARGET:CHEMBL3712913"], "id": "UniProtKB:P32970", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108673", "category": ["biolink:ChemicalEntity"], "name": "VORSETUZUMAB", "synonym": ["Vorsetuzumab", "H-1F6", "H1F6", "SGN-70", "Sgn-70, h1f6", "Vorsetuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301582", "category": ["biolink:ChemicalEntity"], "name": "POLATUZUMAB VEDOTIN", "synonym": ["Polatuzumab vedotin", "Polatuzumab vedotin", "Polatuzumab vedotin-piiq", "Polatuzumab vedotin", "Polatuzumab vedotine", "Polatuzumab vedotina", "Polatuzumab vedotin", "Polatuzumab vedotin", "Anti-cd79b adc", "Polatuzumab vedotin", "Polatuzumab vedotin piiq", "ACD-79B-VCMMAE", "ACD-79BVCMMAE", "ACD79B-VCMMAE", "DCDS-4501A", "DCDS4501A", "FCU-2711", "FCU2711", "RG-7596", "RG7596", "RO-5541077-000", "RO-5541077000", "RO5541077-000", "Polivy", "Polatuzumab vedotin"], "chembl_availability_type": "prescription only"}
{"name": "B-cell antigen receptor complex-associated protein beta chain", "xref": ["CHEMBL.TARGET:CHEMBL3712852"], "id": "UniProtKB:P40259", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109519", "category": ["biolink:ChemicalEntity"], "name": "ABX-MA1", "synonym": ["ABX-MA1"]}
{"name": "Cell surface glycoprotein MUC18", "xref": ["CHEMBL.TARGET:CHEMBL3712863"], "id": "UniProtKB:P43121", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109606", "category": ["biolink:ChemicalEntity"], "name": "GSK-1070806", "synonym": ["Gsk-1070806", "GSK-1070806"]}
{"name": "Interleukin-18", "xref": ["CHEMBL.TARGET:CHEMBL1741305"], "id": "UniProtKB:Q14116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108055", "category": ["biolink:ChemicalEntity"], "name": "TEFIBAZUMAB", "synonym": ["Tefibazumab", "Tefibazumab", "INH-H2002", "INHH-2002", "Aurexis", "Tefibazumab"]}
{"name": "Clumping factor A", "xref": ["CHEMBL.TARGET:CHEMBL3856168"], "id": "UniProtKB:Q53653", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:426430"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108057", "category": ["biolink:ChemicalEntity"], "name": "URTOXAZUMAB", "synonym": ["Urtoxazumab", "TMA-15"]}
{"name": "Shiga toxin subunit B", "xref": ["CHEMBL.TARGET:CHEMBL3856169"], "id": "UniProtKB:Q7BQ98", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:622"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707229", "category": ["biolink:ChemicalEntity"], "name": "TEZEPELUMAB", "synonym": ["Tezepelumab", "Tezepelumab", "Tezepelumab-ekko", "Tezepelumab", "Tezepelumab", "Tezepelumab ekko", "AMG 157", "AMG-157", "MEDI-19929", "MEDI-9929", "MEDI19929", "MEDI9929", "Tezspire", "Tezepelumab"], "chembl_availability_type": "prescription only"}
{"name": "Thymic stromal lymphopoietin", "xref": ["CHEMBL.TARGET:CHEMBL3712931"], "id": "UniProtKB:Q969D9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109642", "category": ["biolink:ChemicalEntity"], "name": "A33 131I", "synonym": ["A33 131i", "A33"]}
{"name": "Cell surface A33 antigen", "xref": ["CHEMBL.TARGET:CHEMBL3712927"], "id": "UniProtKB:Q99795", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301580", "category": ["biolink:ChemicalEntity"], "name": "FLETIKUMAB", "synonym": ["Fletikumab", "Fletikumab", "Anti-IL-20", "NNC-0109-0012", "NNC01 09-0012", "NNC0109-0012", "Fletikumab"]}
{"name": "Interleukin-20", "xref": ["CHEMBL.TARGET:CHEMBL3713449"], "id": "UniProtKB:Q9NYY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107844", "category": ["biolink:ChemicalEntity"], "name": "BRIOBACEPT", "synonym": ["Briobacept", "BR-3-FC", "BR3-FC", "SS-79", "Briobacept"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545191", "category": ["biolink:ChemicalEntity"], "name": "EVINACUMAB", "synonym": ["Evinacumab", "Evinacumab", "Evinacumab-dgnb", "Evinacumab", "Evinacumab", "Evinacumab dgnb", "REGN-1500", "REGN1500", "Evkeeza", "Evinacumab"], "chembl_availability_type": "prescription only"}
{"name": "Angiopoietin-related protein 3", "xref": ["CHEMBL.TARGET:CHEMBL3710485"], "id": "UniProtKB:Q9Y5C1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544910", "category": ["biolink:ChemicalEntity"], "name": "MOTEXAFIN GADOLINIUM", "synonym": ["Motexafin gadolinium", "Motexafin gadolinium", "Motexafin gadolinium anhydrous", "Motexafin gadolinium hydrate", "API-GP3", "FP-GP1", "GADOLINIUM TEXAPHYRIN", "GD TEXAPHYRIN", "GD-TEX", "GD-TEXAPHYRIN", "NSC-695238", "PCI-0120", "Xcytrin", "Motexafin gadolinium"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL189171", "category": ["biolink:ChemicalEntity"], "name": "ACEMETACIN", "xref": ["InChIKey:FSQKKOOTNAMONP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1"], "synonym": ["Acemetacin", "Acemetacin", "Acemetacin", "Acemetacine", "Acemetacina", "Rantudil", "NSC-757413", "Emflex"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL10878", "category": ["biolink:ChemicalEntity"], "name": "AGOMELATINE", "xref": ["InChIKey:YJYPHIXNFHFHND-UHFFFAOYSA-N", "SMILES:COc1ccc2cccc(CCNC(C)=O)c2c1"], "synonym": ["Agomelatine", "Agomelatine", "Agomelatine", "Agomelatine", "Agomelatina", "Agomelatine", "Agomelatine", "Thymanax", "S-20098", "S20098", "Thymanax", "Valdoxan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3305985", "category": ["biolink:ChemicalEntity"], "name": "ALCURONIUM", "xref": ["InChIKey:MUQUYTSLDVKIOF-CHJKCJHBSA-N", "SMILES:C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\\CO)C2)[C@H]54)[C@@H]69"], "synonym": ["Alcuronium", "Alcuronium cation", "Alcuronium ion", "Diallylnortoxiferine", "N,n'-diallylnortoxiferinium"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1601669", "category": ["biolink:ChemicalEntity"], "name": "ALFACALCIDOL", "xref": ["InChIKey:OFHCOWSQAMBJIW-AVJTYSNKSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "synonym": ["Alfacalcidol", "Alfacalcidol", "Alfacalcidol", "1.alpha.-hydroxycholecalciferol", ".alpha.-calcidol", "1-alpha-vitamin d", "1-hydroxycholecalciferol", "1-hydroxyvitamin d3", "1.alpha-hydroxycholecalciferol", "1.alpha.(oh)d3", "1.alpha.-hydroxyvitamin d3", "Alfacalcidol", "Alfarol", "Alpha d3", "Alphacalcidol", "Alpharol", "Alsiodol", "Bondiol", "Einsalpha", "Oxydevit", "Tevabone", "Un alfa", "Un alpha", "Alfa d", "Etalpha", "One-alpha"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3185133", "category": ["biolink:ChemicalEntity"], "name": "ALLYLESTRENOL", "xref": ["InChIKey:ATXHVCQZZJYMCF-XUDSTZEESA-N", "SMILES:C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C"], "synonym": ["Allylestrenol", "Allyloestrenol", "Allylestrenol", "Alilestrenol", "Perselin", "NSC-37723", "Gestanin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL243712", "category": ["biolink:ChemicalEntity"], "name": "AMISULPRIDE", "xref": ["InChIKey:NTJOBXMMWNYJFB-UHFFFAOYSA-N", "SMILES:CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC"], "synonym": ["Amisulpride", "Amisulpride", "Amisulpride", "Amisulpride", "Amisulprida", "Aminosultopride", "Amisulpride", "Deniban", "Socian", "Sulamid", "APD-421", "APD421", "DAN-2163", "NSC-760085", "Barhemsys", "Solian", "Solian 100", "Solian 200", "Solian 400", "Solian 50"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL43", "category": ["biolink:ChemicalEntity"], "name": "AMSACRINE", "xref": ["InChIKey:XCPGHVQEEXUHNC-UHFFFAOYSA-N", "SMILES:COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12"], "synonym": ["Amsacrine", "Amsacrine", "Amsacrine", "Amsacrine", "Amsacrina", "Amsacrine", "Acridinylanisidide", "Amekrin", "Amsacrine", "Amsidil", "Amsidine", "Lamasine", "CI-880", "M-AMSA", "NCI-249992", "NSC-156303", "NSC-249992", "SN-11841", "SN-21429", "Amsidyl", "Amsacrine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108250", "category": ["biolink:ChemicalEntity"], "name": "ANISTREPLASE", "synonym": ["Anistreplase", "Anistreplase", "Anistreplase", "Anistreplase", "Anistreplasa", "APSAC", "BRL 26921", "BRL-26921", "Eminase", "Anistreplase"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL277474", "category": ["biolink:ChemicalEntity"], "name": "ANTIPYRINE", "xref": ["InChIKey:VEQOALNAAJBPNY-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(-c2ccccc2)n1C"], "synonym": ["Phenazone", "Phenazone", "Phenazone", "Fenazona", "Antipyrine", "Antipyrinum", "Phenazone", "NSC-7945"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1565476", "category": ["biolink:ChemicalEntity"], "name": "APAZONE", "xref": ["InChIKey:MPHPHYZQRGLTBO-UHFFFAOYSA-N", "SMILES:CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O"], "synonym": ["Azapropazone", "Azapropazone", "Azapropazone", "Azapropazone", "Azapropazone", "Azapropazona", "Apazone dihydrate", "Apazone", "Apazone dihydrate", "Azapropazone dihydrate", "Cinnopropazone", "Prolixan", "AHR-3018", "MI-85", "MI-85DI", "NSC-102824", "Rheumox", "Rheumox 600", "Apazone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108986", "category": ["biolink:ChemicalEntity"], "name": "ARGIPRESSIN TANNATE", "synonym": ["Argipressin", "Argipressin", "Argipressin", "Argipressine", "Argipresina", "Argipressin tannate", "CI-107", "Argipressin tannate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1697725", "category": ["biolink:ChemicalEntity"], "name": "AUROTHIOGLUCOSE", "synonym": ["Aurothioglucose", "Aurothioglucose", "(1-thio-d-glucopyranosato)gold", "Aureotan", "Aurumine", "Authron", "Brenol", "Glysanol b", "Gold, (1-thio-d-glucopyranosato)-", "Oronol", "Solganal b", "NSC-759601", "Aureotan 100", "Solganal"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108806", "category": ["biolink:ChemicalEntity"], "name": "BEMIPARIN SODIUM", "synonym": ["Bemiparin sodium", "Bemiparin sodium", "Bemiparine sodique", "Bemiparina de sodio", "Badyket", "Bemiparin sodium", "Hibor", "Zivor", "Ivor", "Zibor"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096979", "category": ["biolink:ChemicalEntity"], "name": "BENSERAZIDE", "xref": ["InChIKey:BNQDCRGUHNALGH-UHFFFAOYSA-N", "SMILES:NC(CO)C(=O)NNCc1ccc(O)c(O)c1O"], "synonym": ["Benserazide", "Benserazide hydrochloride", "Benserazide", "Benserazida", "Benserazide hydrochloride", "Benserazide", "Benserazide", "Benserazide (as hydrochloride)", "Benserazide hcl", "Serazide", "NSC-755907", "RO 4-4602", "RO-4-4602", "Benserazide component of madopar", "Benserazide component of prolopa", "Benserazide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL388590", "category": ["biolink:ChemicalEntity"], "name": "BENZBROMARONE", "xref": ["InChIKey:WHQCHUCQKNIQEC-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1"], "synonym": ["Benzbromarone", "Benzbromarone", "Benzbromarone", "Benzbromarone", "Benzbromarona", "Benzbromaron", "Benzbromarone", "Benzbromarone", "Benzbromaron", "Benzbromarone", "Benzpromarone", "Uroleap", "L-2214", "MJ 10061", "MJ-10061", "NSC-85433", "Desuric", "Narcaricin mite", "Benzbromarone"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL12610", "category": ["biolink:ChemicalEntity"], "name": "BENZYDAMINE", "xref": ["InChIKey:CNBGNNVCVSKAQZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12"], "synonym": ["Benzydamine", "Benzydamine", "Benzydamine", "Bencidamina", "Benzydamine", "Apo-benzydamine", "Benzindamine", "Benzydamine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1528134", "category": ["biolink:ChemicalEntity"], "name": "BENZYDAMINE HYDROCHLORIDE", "xref": ["InChIKey:HNNIWKQLJSNAEQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl"], "synonym": ["Benzydamine hydrochloride", "Benzydamine hydrochloride", "Benzydamine hydrochloride", "Benzidamine hydrochloride", "Benzydamine hcl", "Benzydamine hydrochloride", "AF-864", "NSC-759276", "Difflam", "Difflam-p", "Lozamine", "Tantum", "Benzydamine hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24441", "category": ["biolink:ChemicalEntity"], "name": "BETAHISTINE", "xref": ["InChIKey:UUQMNUMQCIQDMZ-UHFFFAOYSA-N", "SMILES:CNCCc1ccccn1"], "synonym": ["Betahistine", "Betahistine", "Betahistine", "Betahistina", "Betahistine", "Histalean", "Vestibo"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL264374", "category": ["biolink:ChemicalEntity"], "name": "BEZAFIBRATE", "xref": ["InChIKey:IIBYAHWJQTYFKB-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O"], "synonym": ["Bezafibrate", "Bezafibrate", "Bezafibrate", "Bezafibrate", "Bezafibrato", "Bezafibrate", "Bezafibrate", "Bezafibrate", "Bezatol sr", "BM 15.075", "BM-15.075", "BM-15075", "NSC-758174", "Bezagen xl", "Bezalip", "Bezalip-mono", "Fibrazate xl", "Liparol xl", "Zimbacol xl", "Bezafibrate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1742423", "category": ["biolink:ChemicalEntity"], "name": "BILASTINE", "xref": ["InChIKey:ACCMWZWAEFYUGZ-UHFFFAOYSA-N", "SMILES:CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21"], "synonym": ["Bilastine", "Bilastine", "Bilastine", "Bilastina", "Bilastine", "Bilastine", "Bilastine", "Ilaxten"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1592101", "category": ["biolink:ChemicalEntity"], "name": "BISMUTH SUBGALLATE", "synonym": ["Bismuth subgallate", "Bismuth subgallate", "Basic bismuth gallate", "Gallic acid bismuth basic salt", "Bismuth subgallate", "Bismuth subgallate"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Coagulation factor XII", "xref": ["CHEMBL.TARGET:CHEMBL2821"], "id": "UniProtKB:P00748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277062", "category": ["biolink:ChemicalEntity"], "name": "BROMAZEPAM", "xref": ["InChIKey:VMIYHDSEFNYJSL-UHFFFAOYSA-N", "SMILES:O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1"], "synonym": ["Bromazepam", "Bromazepam", "Bromazepam", "Bromazepam", "Bromazepam", "Bromazepam", "Bromazepam", "Lexatin", "Lexotanil", "NSC-140669", "RO 5-3350", "RO-5-3350", "Lectopam", "Lexotan", "Bromazepam", "Bromazepam civ"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL28218", "category": ["biolink:ChemicalEntity"], "name": "BROMPERIDOL", "xref": ["InChIKey:RKLNONIVDFXQRX-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1"], "synonym": ["Bromperidol", "Bromperidol", "Bromperidol", "Bromperidol", "Bromperidol", "Bromperidol", "Bromperidol", "NSC-759275", "R 11,333", "R-11333", "Impromen", "Bromperidol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110824", "category": ["biolink:ChemicalEntity"], "name": "BUSERELIN", "xref": ["InChIKey:CUWODFFVMXJOKD-UVLQAERKSA-N", "SMILES:CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1"], "synonym": ["Buserelin", "Buserelin", "Buserelin", "Buserelin", "Busereline", "Buserelina", "Buserelin", "Buserelin", "Suprecur", "Suprefact"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559180", "category": ["biolink:ChemicalEntity"], "name": "ISOXSUPRINE HYDROCHLORIDE", "xref": ["InChIKey:QVPSGVSNYPRFAS-UHFFFAOYSA-N", "SMILES:CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl"], "synonym": ["Isoxsuprine hydrochloride", "Isoxsuprine hydrochloride", "Dilavase", "Duviculine", "Isoxsuprine hcl", "Isoxsuprine hydrochloride", "Navilox", "Suprilent", "Vadosilan", "Vasotran", "NSC-757067", "Defencin", "Duvadilan", "Duvadilan ret", "Vasodilan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL254328", "category": ["biolink:ChemicalEntity"], "name": "ABIRATERONE", "xref": ["InChIKey:GZOSMCIZMLWJML-VJLLXTKPSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12"], "synonym": ["Abiraterone", "Abiraterone", "Abiraterone", "Abiraterona", "Abiraterone", "Abiraterone", "CB 7598", "CB-7598", "NSC-741232", "Zytiga", "Abiraterone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594242", "category": ["biolink:ChemicalEntity"], "name": "CALCITONIN", "synonym": ["Calcitonin", "Calcitonin", "Calcitonin", "Calcitonine", "Calcitonina", "Calcitonin", "Calcitonin", "Calcitonin", "Calcitonin, unspecified", "Throcalcitonin", "Calcitare", "Calsynar", "Miacalcic", "Calcitonin", "Calcitonin"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1371200", "category": ["biolink:ChemicalEntity"], "name": "CANRENOATE POTASSIUM", "xref": ["InChIKey:JTZQCHFUGHIPDF-RYVBEKKQSA-M", "SMILES:C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCC(=O)[O-].[K+]"], "synonym": ["Potassium canrenoate", "Potassium canrenoate", "Potassium canrenoate", "Canrenoate de potassium", "Canrenoato de potasio", "Potassium canrenoate", "Canrenone free acid potassium salt", "Canrenoate potassium", "Kanrenol", "Potassium canrenoate", "NSC-757789", "SC-14266", "Soldactone", "Spiroctan-m", "Canrenoate potassium"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL499915", "category": ["biolink:ChemicalEntity"], "name": "CARBENOXOLONE", "xref": ["InChIKey:OBZHEBDUNPOCJG-WBXJDKIVSA-N", "SMILES:CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"], "synonym": ["Carbenoxolone", "Carbenoxolone", "Carbenoxolone", "Carbenoxolona"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3542430", "category": ["biolink:ProteinFamily"], "name": "11-beta-hydroxysteroid dehydrogenase"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301668", "category": ["biolink:ChemicalEntity"], "name": "CARBETOCIN", "xref": ["InChIKey:NSTRIRCPWQHTIA-DTRKZRJBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"], "synonym": ["Carbetocin", "Carbetocin", "Carbetocin", "Carbetocin", "Carbetocine", "Carbetocina", "Carbetocin", "Carbetocin", "FE 992097", "FE-992097", "LV-101", "Duratocin", "Duratocin long acting", "Pabal", "Carbetocin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL508102", "category": ["biolink:ChemicalEntity"], "name": "CARBIMAZOLE", "xref": ["InChIKey:CFOYWRHIYXMDOT-UHFFFAOYSA-N", "SMILES:CCOC(=O)n1ccn(C)c1=S"], "synonym": ["Carbimazole", "Carbimazole", "Carbimazole", "Carbimazol", "Carbimazol henning", "Carbimazole", "NSC-758966", "Neo-mercazole 20", "Neo-mercazole 5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108581", "category": ["biolink:ChemicalEntity"], "name": "CATUMAXOMAB", "synonym": ["Catumaxomab", "Catumaxomab", "Catumaxomab", "Catumaxomab", "Catumaxomab", "Catumaxomab", "Removab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1146", "category": ["biolink:ChemicalEntity"], "name": "CEFAMANDOLE", "xref": ["InChIKey:OLVCFLKTBJRLHI-AXAPSJFSSA-N", "SMILES:Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1"], "synonym": ["Cefamandole", "Cefamandole", "Cefamandole", "Cefamandole", "Cefamandol", "Cefamandole", "Cefamandole", "Cephamandole", "COMPOUND 83405", "COMPOUND-83405", "J01DC03", "Cefamandole"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2303613", "category": ["biolink:ChemicalEntity"], "name": "CEFODIZIME", "xref": ["InChIKey:XDZKBRJLTGRPSS-BGZQYGJUSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1"], "synonym": ["Cefodizime", "Cefodizime sodium", "Cefodizime", "Cefodizima", "Cefodizime disodium salt", "Cefodizime disodium", "Cefodizime disodium salt", "HR 221", "HR 221 FREE ACID", "HR-221", "HR-221 FREE ACID", "S 77 1221 B", "S 77 1221 B FREE ACID", "S 77-1221B", "S-77-1221-B", "S-77-1221-B FREE ACID", "S-77-1221B", "THR 221", "THR 221 FREE ACID", "THR-221", "THR-221 FREE ACID", "Timecef"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL65794", "category": ["biolink:ChemicalEntity"], "name": "CEFPIROME", "xref": ["InChIKey:DKOQGJHPHLTOJR-WHRDSVKCSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1"], "synonym": ["Cefpirome", "Cefpirome", "Cefpirome", "Cefpiroma", "Cefpirome", "Cefir", "Cefpirome", "HR-810 FREE BASE"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3351077", "category": ["biolink:ChemicalEntity"], "name": "CEFSULODIN", "xref": ["InChIKey:SYLKGLMBLAAGSC-QLVMHMETSA-N", "SMILES:NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)O)[C@H]3SC2)cc1"], "synonym": ["Cefsulodin", "Cefsulodin", "Cefsulodin", "Cefsulodine", "Cefsulodina", "J01DD03"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL27810", "category": ["biolink:ChemicalEntity"], "name": "CELIPROLOL", "xref": ["InChIKey:JOATXPAWOHTVSZ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1"], "synonym": ["Celiprolol", "Celiprolol", "Celiprolol", "Celiprolol", "Celiprolol", "Celiprolol pch", "ACER-002 FREE BASE", "ACER002 FREE BASE"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2110774", "category": ["biolink:ChemicalEntity"], "name": "CHLORPHENOXAMINE", "xref": ["InChIKey:KKHPNPMTPORSQE-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1"], "synonym": ["Chlorphenoxamine", "Chlorphenoxamine", "Clorfenoxamina"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL515606", "category": ["biolink:ChemicalEntity"], "name": "CILAZAPRIL", "xref": ["InChIKey:HHHKFGXWKKUNCY-FHWLQOOXSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O"], "synonym": ["Cilazapril", "Cilazapril", "Cilazapril", "Cilazapril", "Cilazapril", "Cilazapril hydrate", "Cilazapril monohydrate", "Anhydrous cilazapril", "Cilazapril anhydrous", "Cilazapril monohydrate", "Cilazaprilum", "Initiss", "Justor", "RO 31-2848/006", "RO-312848006", "Inhibace", "Vascace", "Cilazapril"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL557555", "category": ["biolink:ChemicalEntity"], "name": "CIPROFIBRATE", "xref": ["InChIKey:KPSRODZRAIWAKH-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O"], "synonym": ["Ciprofibrate", "Ciprofibrate", "Ciprofibrate", "Ciprofibrate", "Ciprofibrato", "Ciprofibrate", "Ciprofibrate", "NSC-759617", "WIN 35833", "WIN-35833", "Modalim", "Ciprofibrate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL325109", "category": ["biolink:ChemicalEntity"], "name": "CLEBOPRIDE", "xref": ["InChIKey:BVPWJMCABCPUQY-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1"], "synonym": ["Clebopride", "Clebopride", "Clebopride", "Clebopride", "Cleboprida", "Clebopride malate", "Clebopride malate", "Amicos", "Clanzol", "Clast", "Clebopride hydrogen malate", "Clebopride malate", "Cleprid", "Motilex", "LAS 9273", "LAS-9273", "Clanzoflat", "Clebopride"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL49080", "category": ["biolink:ChemicalEntity"], "name": "CLENBUTEROL", "xref": ["InChIKey:STJMRWALKKWQGH-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1"], "synonym": ["Clenbuterol", "Clenbuterol", "Clenbuterol", "Contraspasmin", "Planipart", "NAB 365", "NSC-758633", "Spiropent", "Spiropent mite"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL315795", "category": ["biolink:ChemicalEntity"], "name": "CLOMETHIAZOLE", "xref": ["InChIKey:PCLITLDOTJTVDJ-UHFFFAOYSA-N", "SMILES:Cc1ncsc1CCCl"], "synonym": ["Clomethiazole", "Clomethiazole", "Clomethiazole", "Clometiazol", "Chlormethiazole", "Clomethiazole", "Distraneurine", "Heminevrin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL304902", "category": ["biolink:ChemicalEntity"], "name": "CLOTHIAPINE", "xref": ["InChIKey:KAAZGXDPUNNEFN-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1"], "synonym": ["Clotiapine", "Clothiapine", "Clotiapine", "Clotiapine", "Clotiapine", "Clotiapina", "Clotiapine", "Entumin", "HF-2159", "Clothiapine"]}
{"id": "CHEMBL.TARGET:CHEMBL2095200", "category": ["biolink:ProteinFamily"], "name": "Serotonin 2 (5-HT2) receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108185", "category": ["biolink:ChemicalEntity"], "name": "CORIFOLLITROPIN ALFA", "synonym": ["Corifollitropin alfa", "Corifollitropin alfa", "Corifollitropin alfa", "Corifollitropin alfa", "Corifollitropine alfa", "Corifolitropina alfa", "Corifollitropin alfa", "Corifollitropin alfa", "MK-8962", "ORG 36286", "ORG-36286", "SCH 900962", "SCH-900962", "Elonva", "Corifollitropin alfa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105842", "category": ["biolink:ChemicalEntity"], "name": "CORTIVAZOL", "xref": ["InChIKey:RKHQGWMMUURILY-UHRZLXHJSA-N", "SMILES:CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Cortivazol", "Cortivazol", "Cortivazol", "Cortivazol", "Cortivazol", "NSC-80998", "Altim", "Cortivazol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL139835", "category": ["biolink:ChemicalEntity"], "name": "CYPROTERONE ACETATE", "xref": ["InChIKey:UWFYSQMTEOIJJG-FDTZYFLXSA-N", "SMILES:CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C"], "synonym": ["Cyproterone", "Cyproterone", "Cyproterone acetate", "Cyproterone", "Ciproterona", "Cyproterone acetate", "Cyproterone acetate", "Cyproterone 17.alpha.-acetate", "Cyproterone acetate", "NSC-81430", "SH 714", "SH-714", "SH714", "Androcur", "Androcur 10", "Cyprostat", "Diane", "Cyproterone acetate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2110900", "category": ["biolink:ChemicalEntity"], "name": "DAPOXETINE", "xref": ["InChIKey:USRHYDPUVLEVMC-FQEVSTJZSA-N", "SMILES:CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1"], "synonym": ["Dapoxetine", "Dapoxetine", "Dapoxetina", "Dapoxetine", "Dapoxetine", "Kutub", "LY-210448"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL169901", "category": ["biolink:ChemicalEntity"], "name": "DEBRISOQUIN", "xref": ["InChIKey:JWPGJSVJDAJRLW-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2ccccc2C1"], "synonym": ["Debrisoquine", "Debrisoquine", "Debrisoquine", "Debrisoquina"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL75435", "category": ["biolink:ChemicalEntity"], "name": "DEXKETOPROFEN", "xref": ["InChIKey:DKYWVDODHFEZIM-NSHDSACASA-N", "SMILES:C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1"], "synonym": ["Dexketoprofen", "Dexketoprofen", "Dexketoprofen", "Dexketoprofene", "Dexketoprofeno", "(s)-ketoprofen", "Arveles", "Dexketoprofen", "Ketoprofen, (s)-", "Keral"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3833389", "category": ["biolink:ChemicalEntity"], "name": "DEXTROMORAMIDE", "xref": ["InChIKey:XHKXWINHANRSNT-NRFANRHFSA-N", "SMILES:C[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1"], "synonym": ["Dextromoramide", "Dextromoramide", "Dextromoramida", "Acscn-9613", "Alcoid", "Jetrium", "Linfadol", "Moramide", "Narcolo", "Palfadonna", "Racemoramide, (s)-", "Troxilan", "Yetrium", "IDS-ND-003", "MCP-875", "R-875", "SKF-5137"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1442422", "category": ["biolink:ChemicalEntity"], "name": "DIBENZEPIN", "xref": ["InChIKey:QPGGEKPRGVJKQB-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21"], "synonym": ["Dibenzepin", "Dibenzepin", "Dibenzepin", "Dibenzepine", "Dibenzepina"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL22108", "category": ["biolink:ChemicalEntity"], "name": "DIMETHINDENE", "xref": ["InChIKey:MVMQESMQSYOVGV-UHFFFAOYSA-N", "SMILES:CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1"], "synonym": ["Dimetindene", "Dimetindene", "Dimetindene", "Dimetindeno", "Dimethpyrindene", "Feniallerg", "Forhistal"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL397420", "category": ["biolink:ChemicalEntity"], "name": "ACENOCOUMAROL", "xref": ["InChIKey:VABCILAOYCMVPS-UHFFFAOYSA-N", "SMILES:CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O"], "synonym": ["Acenocoumarol", "Acenocoumarol", "Acenocoumarol", "Acenocumarol", "Acenocoumarol", "Mini-sintrom", "NSC-760052", "Sinthrome", "Acenocoumarol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL382301", "category": ["biolink:ChemicalEntity"], "name": "ATOSIBAN", "xref": ["InChIKey:VWXRQYYUEIYXCZ-OBIMUBPZSA-N", "SMILES:CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1"], "synonym": ["Atosiban", "Atosiban", "Atosiban", "Atosiban", "Atosiban", "Antocile", "Antocin", "Antocin ii", "Atosiban", "Tractocil", "CAP-449", "CAP-476", "CAP-581", "F-314", "ORF 22164", "ORF-22164", "RW-22164", "RWJ 22164", "RWJ-22164", "Tractocile", "Atosiban"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108222", "category": ["biolink:ChemicalEntity"], "name": "ALOXIPRIN", "synonym": ["Aloxiprin", "Aloxiprin", "Aloxiprin", "Aloxiprine", "Aloxiprina", "Alaprin", "Paloxin", "Polyoxyaluminium acetylsalicylate", "Polyoxyaluminum acetylsalicylate", "Superpyrin", "Palaprin fte"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253371", "category": ["biolink:ChemicalEntity"], "name": "ALVERINE", "xref": ["InChIKey:ZPFXAOWNKLFJDN-UHFFFAOYSA-N", "SMILES:CCN(CCCc1ccccc1)CCCc1ccccc1"], "synonym": ["Alverine", "Alverine", "Alverine", "Alverina", "Alverine", "Phenpropamine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1201554", "category": ["biolink:ChemicalEntity"], "name": "ANTITHROMBIN ALFA", "synonym": ["Antithrombin alfa", "Antithrombin alfa", "Antithrombin alfa", "Antithrombine alfa", "Antitrombina alfa", "Antithrombin (recombinant)", "Antithrombin alfa", "Antithrombin iii,recombinant", "KW-3357", "Atryn", "Antithrombin alfa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297302", "category": ["biolink:ChemicalEntity"], "name": "BENPERIDOL", "xref": ["InChIKey:FEBOTPHFXYHVPL-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1"], "synonym": ["Benperidol", "Benperidol", "Benperidol", "Benperidol", "Benperidol", "Benperidol", "MCN-JR-4584", "NSC-170982", "R-4584", "Anquil", "Benquil", "Benperidol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93645", "category": ["biolink:ChemicalEntity"], "name": "ACECLOFENAC", "xref": ["InChIKey:MNIPYSSQXLZQLJ-UHFFFAOYSA-N", "SMILES:O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl"], "synonym": ["Aceclofenac", "Aceclofenac", "Aceclofenac", "Aceclofenaco", "Aceclofenac", "Aceclofenac", "Aceclofenac", "Aceclofenac betadex", "Gerbin", "Preservex"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL43064", "category": ["biolink:ChemicalEntity"], "name": "CINNARIZINE", "xref": ["InChIKey:DERZBLKQOCDDDZ-JLHYYAGUSA-N", "SMILES:C(=C/c1ccccc1)\\CN1CCN(C(c2ccccc2)c2ccccc2)CC1"], "synonym": ["Cinnarizine", "Cinnarizine", "Cinnarizine", "Cinnarizine", "Cinarizina", "Cinnarizine", "Cinnarizine", "Aplactan", "Aplexal", "Artate", "Carecin", "Cerebolan", "Cerepar", "Cinaperazine", "Cinarizine", "Cinazyn", "Cinnacet", "Cinnageron", "Cinnarizine", "Cinnipirine", "Corathiem", "Denapol", "Dimitron", "Eglen", "Folcodal", "Giganten", "Glanil", "Hilactan", "Ixertol", "Katoseran", "Labyrin", "Midronal", "Mitronal", "Olamin", "Processine", "Sedatromin", "Sepan", "Siptazin", "Spaderizine", "Stunarone", "Stutgeron", "Stutgin", "516 MD", "516-MD", "NSC-758400", "R 1575", "R 516", "R-1575", "R-516", "Marzine r.f.", "Mylan travel sickness", "Stugeron", "Stugeron fte", "Cinnarizine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1697737", "category": ["biolink:ChemicalEntity"], "name": "CLOTIAZEPAM", "xref": ["InChIKey:CHBRHODLKOZEPZ-UHFFFAOYSA-N", "SMILES:CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl"], "synonym": ["Clotiazepam", "Clotiazepam", "Clotiazepam", "Clozan", "Rize"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108931", "category": ["biolink:ChemicalEntity"], "name": "CRISANTASPASE", "synonym": ["Crisantaspase", "Crisantaspase", "Crisantaspase", "Crisantaspase", "Crisantaspasa", "Crisantaspase", "JZP-458", "Enrylaze", "Erwinase", "Asparaginase erwinia chrysanthemi (recombinant)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3184437", "category": ["biolink:ChemicalEntity"], "name": "DICHLOROBENZYL ALCOHOL", "xref": ["InChIKey:DBHODFSFBXJZNY-UHFFFAOYSA-N", "SMILES:OCc1ccc(Cl)cc1Cl"], "synonym": ["Dichlorobenzyl alcohol", "Dichlorobenzyl alcohol", "Dybenal", "Oxiconazole related compound d", "Rapidosept", "NSC-15635"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2356023", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROTACHYSTEROL", "xref": ["InChIKey:ILYCWAKSDCYMBB-OPCMSESCSA-N", "SMILES:CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\\C[C@@H](O)CC[C@@H]3C)CCC[C@]12C"], "synonym": ["Dihydrotachysterol", "Dihydrotachysterol", "Dihydrotachysterol", "Dihidrotaquisterol", "Tachysterol dihydro derivative", "Dihydrotachysterol 2", "Dihydrotachysterol2", "A.t. 10", "Dihydral", "Dygratyl", "Hytakerol", "Tachyrol"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL2095202", "category": ["biolink:MacromolecularComplex"], "name": "Troponin, cardiac muscle"}
{"name": "Macrophage metalloelastase", "xref": ["CHEMBL.TARGET:CHEMBL4393"], "id": "UniProtKB:P39900", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "72 kDa type IV collagenase", "xref": ["CHEMBL.TARGET:CHEMBL333"], "id": "UniProtKB:P08253", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Stromelysin-1", "xref": ["CHEMBL.TARGET:CHEMBL283"], "id": "UniProtKB:P08254", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carnitine O-palmitoyltransferase 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3238"], "id": "UniProtKB:P23786", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Urease", "synonym": ["Urease subunit beta"], "xref": ["CHEMBL.TARGET:CHEMBL5325"], "id": "UniProtKB:Q0PXQ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:210"]}
{"id": "CHEMBL.TARGET:CHEMBL2096662", "category": ["biolink:ProteinFamily"], "name": "Serotonin 2 receptors; 5-HT2a & 5-HT2c"}
{"id": "CHEMBL.COMPOUND:CHEMBL1364551", "category": ["biolink:ChemicalEntity"], "name": "MINAPRINE HYDROCHLORIDE", "xref": ["InChIKey:GNUCGROXDZMCJI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl"], "synonym": ["Minaprine hydrochloride", "Minaprine dihydrochloride", "Minaprine dihydrochloride", "Minaprine hcl", "Minaprine hydrochloride", "30038-CB", "30038CB", "NSC-305742", "Cantor", "Minaprine hydrochloride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL278819", "category": ["biolink:ChemicalEntity"], "name": "MINAPRINE", "xref": ["InChIKey:LDMWSLGGVTVJPG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1"], "synonym": ["Minaprine", "Minaprine", "Minaprine", "Minaprina", "Brantur", "AGR-1240", "CB-30038", "Minaprine"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Hepatocyte nuclear factor 4-alpha", "xref": ["CHEMBL.TARGET:CHEMBL5398"], "id": "UniProtKB:P41235", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA polymerase catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL4859"], "id": "UniProtKB:P09252", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10338"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301581", "category": ["biolink:ChemicalEntity"], "name": "ABALOPARATIDE", "synonym": ["Abaloparatide", "Abaloparatide", "Abaloparatide", "Abaloparatide", "Abaloparatida", "Abaloparatide", "Abaloparatide", "Bim44058", "BA-058", "BA058", "BIM-44058", "Eladynos", "Tymlos", "Abaloparatide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707348", "category": ["biolink:ChemicalEntity"], "name": "ACALABRUTINIB", "xref": ["InChIKey:WDENQIQQYWYTPO-IBGZPJMESA-N", "SMILES:CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12"], "synonym": ["Acalabrutinib", "Acalabrutinib", "Acalabrutinib", "Acalabrutinib", "Acalabrutinib", "Acp-196", "ACP-196", "Acalabrutinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545068", "category": ["biolink:ChemicalEntity"], "name": "COPANLISIB HYDROCHLORIDE", "xref": ["InChIKey:STGQPVQAAFJJFX-UHFFFAOYSA-N", "SMILES:COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21.Cl.Cl"], "synonym": ["Copanlisib dihydrochloride", "Copanlisib hydrochloride hydrate", "Copanlisib hydrochloride", "Copanlisib hydrochloride", "Copanlisib hydrochloride hydrate", "BAY 80-6946 DIHYDROCHLORIDE", "BAY 84-1236", "BAY-80-6946 DIHYDROCHLORIDE", "BAY-84-1236", "Aliqopa", "Copanlisib hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL178", "category": ["biolink:ChemicalEntity"], "name": "DAUNORUBICIN", "xref": ["InChIKey:STQGQHZAVUOBTE-VGBVRHCVSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"], "synonym": ["Daunorubicin", "Daunorubicin", "Daunorubicin", "Daunorubicin", "Daunorubicin", "Daunorubicine", "Daunorubicina", "Daunorubicin", "Daunomycin", "Daunorubicin", "FI 6339", "FI-6339", "NSC-83142", "RP 13057", "RP-13057", "Daunorubicin component of vyxeos", "Daunoxome", "Epirubicin hydrochloride impurity, daunorubicin-", "Valrubicin impurity, daunorubicin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105638", "category": ["biolink:ChemicalEntity"], "name": "DELAFLOXACIN MEGLUMINE", "xref": ["InChIKey:AHJGUEMIZPMAMR-WZTVWXICSA-N", "SMILES:CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F"], "synonym": ["Delafloxacin meglumine", "Delafloxacin meglumine", "Rx-3341 meglumine", "Wq-3034 meglumine", "ABT-492", "ABT-492 MEGLUMINE", "RX-3341", "WQ-3034", "WQ-3034 AND ABT-492", "Baxdela", "Quofenix", "Delafloxacin meglumine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137326", "category": ["biolink:ChemicalEntity"], "name": "DEUTETRABENAZINE", "xref": ["InChIKey:MKJIEFSOBYUXJB-LIJFRPJRSA-N", "SMILES:[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C1CC(=O)C(CC(C)C)CN1CC2"], "synonym": ["Deutetrabenazine", "Deutetrabenazine", "Deutetrabenazine", "Deutetrabenazina", "Deutetrabenazine", "Dutetrabenazine", "SD-809", "Austedo", "Austedo xr", "Deutetrabenazine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989931", "category": ["biolink:ChemicalEntity"], "name": "ENASIDENIB MESYLATE", "xref": ["InChIKey:ORZHZQZYWXEDDL-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CS(=O)(=O)O"], "synonym": ["Enasidenib mesylate", "Enasidenib mesylate", "Enasidenib mesilate", "Enasidenib mesylate", "Enasidenib methanesulfonate", "AG-221 mesylate", "CC-90007", "Idhifa", "Enasidenib mesylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Isocitrate dehydrogenase [NADP], mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3991501"], "id": "UniProtKB:P48735", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545363", "category": ["biolink:ChemicalEntity"], "name": "GLECAPREVIR", "xref": ["InChIKey:MLSQGNCUYAMAHD-ITNVBOSISA-N", "SMILES:CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O"], "synonym": ["Glecaprevir", "Glecaprevir", "Glecaprevir", "Glecaprevir", "A-1282576", "A-1282576.0", "A-12825760", "ABT-493", "Glecaprevir component of mavyret", "Glecaprevir"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1241951", "category": ["biolink:ChemicalEntity"], "name": "LETERMOVIR", "xref": ["InChIKey:FWYSMLBETOMXAG-QHCPKHFHSA-N", "SMILES:COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1"], "synonym": ["Letermovir", "Letermovir", "Letermovir", "Letermovir", "Letermovir", "Letermovir", "Letermovir", "Letermovir", "AIC 246", "AIC-246", "AIC246", "MK-8228", "Prevymis", "Letermovir"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3991482", "category": ["biolink:MacromolecularComplex"], "name": "DNA terminase"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545123", "category": ["biolink:ChemicalEntity"], "name": "PIBRENTASVIR", "xref": ["InChIKey:VJYSBPDEJWLKKJ-NLIMODCCSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@H](c4cc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]c5cc4F)N3c3cc(F)c(N4CCC(c5ccc(F)cc5)CC4)c(F)c3)c(F)cc2[nH]1)[C@@H](C)OC"], "synonym": ["Pibrentasvir", "Pibrentasvir", "Pibrentasvir", "Pibrentasvir", "Pibrentasvir", "A-1325912.0", "ABT-530", "Pibrentasvir component of mavyret", "Pibrentasvir"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989923", "category": ["biolink:ChemicalEntity"], "name": "PITAVASTATIN MAGNESIUM", "xref": ["InChIKey:MPAZKXHCZWDZDY-FFNUKLMVSA-L", "SMILES:O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Mg+2]"], "synonym": ["Pitavastatin magnesium", "Zypitamag"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989920", "category": ["biolink:ChemicalEntity"], "name": "PITAVASTATIN SODIUM", "xref": ["InChIKey:NBDQGOCGYHMDSJ-NRFPMOEYSA-M", "SMILES:O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Na+]"], "synonym": ["Pitavastatin sodium", "Nikita"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL498847", "category": ["biolink:ChemicalEntity"], "name": "SECNIDAZOLE", "xref": ["InChIKey:KPQZUUQMTUIKBP-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CC(C)O"], "synonym": ["Secnidazole", "Secnidazole", "Secnidazole", "Secnidazole", "Secnidazole", "Secnidazole", "Secnidazol", "Secnidazole", "Ornidazole metabolite m4", "Secnidal", "Secnidazole", "Secnidazole anhydrous", "NSC-759812", "PM-185184", "RP 14539", "RP-14539", "SYM-1219", "Deprozol", "Flagentyl", "Sabima", "Secnol", "Solosec", "Secnidazole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3348963", "category": ["biolink:ChemicalEntity"], "name": "TELOTRISTAT ETIPRATE", "xref": ["InChIKey:XSFPZBUIBYMVEA-CELUQASASA-N", "SMILES:CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1"], "synonym": ["Telotristat etiprate", "Telotristat etiprate", "Telotristat ethyl hippurate", "LX 1032 HIPPURATE", "LX-1032 HIPPURATE", "LX-1606 HIPPURATE", "LX1032 HIPPURATE", "LX1606 HIPPURATE", "Xermelo", "Telotristat etiprate"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3317857", "category": ["biolink:ChemicalEntity"], "name": "VABORBACTAM", "xref": ["InChIKey:IOOWNWLVCOUUEX-WPRPVWTQSA-N", "SMILES:O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)B(O)O1"], "synonym": ["Vaborbactam", "Vaborbactam", "Vaborbactam", "Vaborbactam", "RPX-7009", "RPX7009", "Vaborbactam component of carbavance", "Vaborbactam component of vabomere", "Vaborbactam"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Carbapenem-hydrolyzing beta-lactamase KPC", "synonym": ["Carbapenem-hydrolyzing beta-lactamase KPC-2"], "xref": ["CHEMBL.TARGET:CHEMBL6132"], "id": "UniProtKB:Q9F663", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:573"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707248", "category": ["biolink:ChemicalEntity"], "name": "VALBENAZINE TOSYLATE", "xref": ["InChIKey:BXGKAGLZHGYAMW-TZYFFPFWSA-N", "SMILES:COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1"], "synonym": ["Valbenazine tosylate", "Valbenazine ditosylate", "Valbenazine tosilate", "NBI-98854", "NBI-98854 DITOSYLATE", "Ingrezza", "Ingrezza sprinkle", "Valbenazine tosylate"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707372", "category": ["biolink:ChemicalEntity"], "name": "VOXILAPREVIR", "xref": ["InChIKey:MKDALIOACIEUJM-XCFCBFDASA-N", "SMILES:CC[C@@H]1[C@@H]2CN(C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]3C[C@H]3CCCCC(F)(F)c3nc4ccc(OC)cc4nc3O2)[C@@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2(C)CC2)C[C@H]1C(C)C"], "synonym": ["Voxilaprevir", "Voxilaprevir", "Voxilaprevir", "Voxilaprevir", "GS-9857", "Voxilaprevir component of vosevi", "Voxilaprevir"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989932", "category": ["biolink:ChemicalEntity"], "name": "ANGIOTENSIN II ACETATE", "xref": ["InChIKey:VBTZKFAHKJXHBA-PIONDTTLSA-N", "SMILES:CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"], "synonym": ["Angiotensin ii acetate", "Angiotensin ii acetate", "Angiotensin ii acetate human", "Angiotensin ii triacetate", "Human angiotensin ii acetate salt", "Giapreza", "Angiotensin ii acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544921", "category": ["biolink:ChemicalEntity"], "name": "CERLIPONASE ALFA", "synonym": ["Cerliponase alfa", "Cerliponase alfa", "Cerliponase alfa", "Cerliponase alfa", "Cerliponasa alfa", "Cerliponase alfa", "Cerliponase alfa", "Cerliponase alfa", "Immature tripeptidyl-peptidase i", "BMN 190", "BMN-190", "Brineura", "Cerliponase alfa"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2364617", "category": ["biolink:ChemicalEntity"], "name": "MACIMORELIN ACETATE", "xref": ["InChIKey:WVDSKQXKCDZXLH-OHIDFYLOSA-N", "SMILES:CC(=O)O.CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O"], "synonym": ["Macimorelin acetate", "Macimorelin acetate", "ARD 07", "ARD-07 ACETATE", "D-87575", "D-87575 ACETATE", "EP 1572", "EP-1572 ACETATE", "Ghryvelin (previously macimorelin aeterna zentaris)", "Macrilen", "Macimorelin acetate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594251", "category": ["biolink:ChemicalEntity"], "name": "NETARSUDIL DIMESYLATE", "xref": ["InChIKey:QQDRLKRHJOAQDC-FBHGDYMESA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1"], "synonym": ["Netarsudil dimesylate", "Netarsudil dimesylate", "Netarsudil mesylate", "Netarsudil dimesylate", "Netarsudil dimesylate", "Netarsudil mesilate", "AR-13324", "Netarsudil dimesylate component of rocklatan", "Rhokiinsa", "Rhopressa", "Netarsudil mesylate"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3990047", "category": ["biolink:ChemicalEntity"], "name": "OZENOXACIN", "xref": ["InChIKey:XPIJWUTXQAGSLK-UHFFFAOYSA-N", "SMILES:CNc1ncc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc1C"], "synonym": ["Ozenoxacin", "Ozenoxacin", "Ozenoxacin", "Ozenoxacine", "Ozenoxacino", "Ozenoxacin", "Ozenoxacin", "Gf-001001-00", "Ozenoxacin", "GF-001001-00", "T-3912", "Xepi", "Ozenoxacin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL3991502", "category": ["biolink:MacromolecularComplex"], "name": "DNA gyrase"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989866", "category": ["biolink:ChemicalEntity"], "name": "BICTEGRAVIR", "xref": ["InChIKey:SOLUWJRYJLAZCX-LYOVBCGYSA-N", "SMILES:O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2"], "synonym": ["Bictegravir", "Bictegravir", "Bictegravir", "GS-9883", "GS-9883-01", "Bictegravir"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297545", "category": ["biolink:ChemicalEntity"], "name": "LUTETIUM OXODOTREOTIDE LU-177", "synonym": ["Lutetium (177lu) oxodotreotide", "Lutetium (177lu) oxodotreotide", "Lutetium oxodotreotide lu-177", "Lutetium dotatate lu-177", "Lutetium lu 177 dotatate", "Lutetium (177lu) oxodotreotide", "Lutecium (177lu) oxodotreotide", "Lutecio (177lu) oxodotreotida", "Lutetium (177lu) oxodotreotide", "(177)lu-dotatate", "177lu-dota-tyr3-octreotate", "177lu-dotatate", "Dota-octreotate lutetium lu-177", "Dotatate lutenium lu-177", "Dotatate lutetium lu-177", "Lutetium (177lu) dotatate", "Lutetium dotatate lu-177", "Lutetium dotatate, lu-177", "Lutetium lu 177 dotatate", "Lutetium lu-177 dotatate", "Lutetium oxodotreotide lu-177", "Oxodotreotide lutetium lu-177", "Oxodotreotide lutetium, lu-177", "Lutathera"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107825", "category": ["biolink:ChemicalEntity"], "name": "TENOFOVIR ALAFENAMIDE", "xref": ["InChIKey:LDEKQSIMHVQZJK-CAQYMETFSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1"], "synonym": ["Tenofovir alafenamide", "Tenofovir alafenamide", "Tenofovir alafenamide", "Tenofovir alafenamida", "Tenofovir alafenamide", "Tenofovir alafenamide", "GS-7340", "GS-734003", "Gs-7340", "Vemlidy", "Tenofovir alafenamide"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL110458", "category": ["biolink:ChemicalEntity"], "name": "MIGALASTAT", "xref": ["InChIKey:LXBIFEVIBLOUGU-DPYQTVNSSA-N", "SMILES:OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O"], "synonym": ["Migalastat", "Migalastat", "Migalastat", "Migalastat", "Migalastat", "At-1001, gr-181314a", "Galafold", "Migalastat"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Alpha-galactosidase A", "xref": ["CHEMBL.TARGET:CHEMBL2524"], "id": "UniProtKB:P06280", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109366", "category": ["biolink:ChemicalEntity"], "name": "ANTI-TAC 90 Y-HAT", "synonym": ["Anti-tac 90 y-hat", "ANTI-TAC 90 Y-HAT"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109282", "category": ["biolink:ChemicalEntity"], "name": "RG-7636", "synonym": ["DEDN-6526A", "RG-7636"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109452", "category": ["biolink:ChemicalEntity"], "name": "MEDI-4212", "synonym": ["Medi-4212", "MEDI-4212", "MEDI4212"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109266", "category": ["biolink:ChemicalEntity"], "name": "AVE-9633", "synonym": ["Ave-9633", "AVE-9633", "HUMY9-6"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109323", "category": ["biolink:ChemicalEntity"], "name": "IMC-CS4", "synonym": ["Imc-cs4", "IMC-CS4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109677", "category": ["biolink:ChemicalEntity"], "name": "HUJ591 111IN", "synonym": ["Huj591 (111in)", "Huj591 111in", "HUJ591"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109556", "category": ["biolink:ChemicalEntity"], "name": "MLN-2704", "synonym": ["Mln-2704", "MLN-2704", "MLN-591DM1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109678", "category": ["biolink:ChemicalEntity"], "name": "HUJ591 177LU", "synonym": ["Huj591 (177lu)", "Huj591 177lu", "HUJ591"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109553", "category": ["biolink:ChemicalEntity"], "name": "CYT-500 177LU", "synonym": ["Cyt-500 177lu", "CYT-500"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108162", "category": ["biolink:ChemicalEntity"], "name": "TUVIRUMAB", "synonym": ["Tuvirumab", "Ostavir human anti-hepatitis b", "OST-577", "PE 1-1", "PE-1-1", "PE1-1", "SDZ OST 577", "SDZ-OST 577", "SDZ-OST-577", "Ostavir", "Tuvirumab"]}
{"name": "Large envelope protein", "xref": ["CHEMBL.TARGET:CHEMBL1928"], "id": "UniProtKB:P31873", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:489449"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109342", "category": ["biolink:ChemicalEntity"], "name": "HGS-1025", "synonym": ["Hgs-1025", "HGS-1025"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109341", "category": ["biolink:ChemicalEntity"], "name": "CCR5MAB004", "synonym": ["Ccr5mab004", "CCR5MAB004"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109602", "category": ["biolink:ChemicalEntity"], "name": "IMC-3C5", "synonym": ["Imc-3c5", "IMC-3C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109356", "category": ["biolink:ChemicalEntity"], "name": "BIIB-022", "synonym": ["Biib 022", "Biib-022", "BIIB-022"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109607", "category": ["biolink:ChemicalEntity"], "name": "MEDI-8968", "synonym": ["Medi-8968", "MEDI-8968"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109328", "category": ["biolink:ChemicalEntity"], "name": "IMC-EB10", "synonym": ["Imc-eb10", "IMC-EB10"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707278", "category": ["biolink:ChemicalEntity"], "name": "CROTEDUMAB", "synonym": ["Crotedumab", "Crotedumab", "REGN-1193", "REGN1193", "Crotedumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545189", "category": ["biolink:ChemicalEntity"], "name": "LANADELUMAB", "synonym": ["Lanadelumab", "Lanadelumab", "Lanadelumab (shp643)", "Lanadelumab", "Lanadelumab", "Lanadelumab", "Lanadelumab flyo", "Lanadelumab-flyo", "Tak-743", "DX-2930", "SHP-643", "Takhzyro", "Lanadelumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109257", "category": ["biolink:ChemicalEntity"], "name": "IMC-1C11", "synonym": ["IMC-1C11"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109283", "category": ["biolink:ChemicalEntity"], "name": "BICIROMAB BRALLOBARBITAL", "synonym": ["Biciromab brallobarbital", "T2G1S", "Fibriscint"]}
{"name": "Fibrinogen beta chain", "xref": ["CHEMBL.TARGET:CHEMBL2048"], "id": "UniProtKB:P02675", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108285", "category": ["biolink:ChemicalEntity"], "name": "CAPROMAB", "synonym": ["Capromab"]}
{"name": "Prostate-specific antigen", "xref": ["CHEMBL.TARGET:CHEMBL2099"], "id": "UniProtKB:P07288", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039543", "category": ["biolink:ChemicalEntity"], "name": "ULOCUPLUMAB", "synonym": ["Ulocuplumab", "Ulocuplumab", "BMS-936564", "MDX-1338", "Ulocuplumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545192", "category": ["biolink:ChemicalEntity"], "name": "MIRVETUXIMAB", "synonym": ["Mirvetuximab", "M-9346A", "M9346A", "Mirvetuximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109508", "category": ["biolink:ChemicalEntity"], "name": "IMMURAIT-LL2", "synonym": ["IMMURAIT-LL2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108357", "category": ["biolink:ChemicalEntity"], "name": "EPRATUZUMAB 90Y", "synonym": ["Epratuzumab 90y", "AMG-412", "HLL2", "Lymphocide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108817", "category": ["biolink:ChemicalEntity"], "name": "YTTRIUM Y 90 EPRATUZUMAB", "synonym": ["Epratuzumab (y 90)", "Yttrium y 90 epratuzumab", "Yttrium y-90 epratuzumab", "90Y-HLL2", "90Y_HLL2", "S9S0Y-HLL2", "Yttrium y 90 epratuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301585", "category": ["biolink:ChemicalEntity"], "name": "PINATUZUMAB VEDOTIN", "synonym": ["Pinatuzumab vedotin", "Pinatuzumab vedotine", "Pinatuzumab vedotina", "Pinatuzumab vedotin", "ACD-22-VCMMAE", "ACD-22VCMMAE", "ACD22-VCMMAE", "DCDT-2980S", "DCDT2980S", "FCU-2703", "FCU2703", "RG-7593", "RO-5541072-000", "RO-5541072000", "RO5541072-000", "Pinatuzumab vedotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109354", "category": ["biolink:ChemicalEntity"], "name": "MONO-DGA-RFB4", "synonym": ["Mono-dga-rfb4", "MONO-DGA-RFB4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109326", "category": ["biolink:ChemicalEntity"], "name": "MIK-BETA-1", "synonym": ["Mik-beta-1", "MIK-BETA-1"]}
{"name": "Interleukin-2 receptor subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL3276"], "id": "UniProtKB:P14784", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109610", "category": ["biolink:ChemicalEntity"], "name": "HUMIK-BETA-1", "synonym": ["Humik-beta-1", "HUMIK-BETA-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743046", "category": ["biolink:ChemicalEntity"], "name": "NARNATUMAB", "synonym": ["Narnatumab", "Narnatumab", "IMC RON-8", "IMC-RON-8", "IMC-RON8", "RON-8", "RON8", "Narnatumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297848", "category": ["biolink:ChemicalEntity"], "name": "VOFATAMAB", "synonym": ["Vofatamab", "B-701", "Mfgr 1877s", "Mfgr1877s", "Vofatamab", "Anti-FGR3", "B-701", "B701", "MFGR-1877A", "MFGR-1877S", "MFGR1877A", "MFGR1877S", "RG-7444", "RG7444", "Vofatamab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137352", "category": ["biolink:ChemicalEntity"], "name": "RALPANCIZUMAB", "synonym": ["Ralpancizumab", "Ralpancizumab", "PF-05335810", "RN-317", "RN317", "Ralpancizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743069", "category": ["biolink:ChemicalEntity"], "name": "SIFALIMUMAB", "synonym": ["Sifalimumab", "Sifalimumab", "MDX-1103", "MEDI-545", "Sifalimumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109090", "category": ["biolink:ChemicalEntity"], "name": "ENLIMOMAB", "synonym": ["Enlimomab", "BI-RR-0001", "BIRR-0001", "Enlimomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743060", "category": ["biolink:ChemicalEntity"], "name": "RADRETUMAB", "synonym": ["Radretumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109529", "category": ["biolink:ChemicalEntity"], "name": "MU-BC-1", "synonym": ["MU-BC-1", "Angiomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109413", "category": ["biolink:ChemicalEntity"], "name": "AS-1409", "synonym": ["As-1409", "AS-1409", "HUBC1-HUIL12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109590", "category": ["biolink:ChemicalEntity"], "name": "GSK-1995057", "synonym": ["Gsk-1995057", "GSK-1995057"]}
{"name": "Tumor necrosis factor receptor superfamily member 1A", "xref": ["CHEMBL.TARGET:CHEMBL3378"], "id": "UniProtKB:P19438", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109446", "category": ["biolink:ChemicalEntity"], "name": "KD-247", "synonym": ["Kd-247", "KD-247"]}
{"name": "Envelope glycoprotein gp160", "xref": ["CHEMBL.TARGET:CHEMBL3520"], "id": "UniProtKB:P04578", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11706"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109443", "category": ["biolink:ChemicalEntity"], "name": "F105", "synonym": ["F105", "F105"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109445", "category": ["biolink:ChemicalEntity"], "name": "AD-439", "synonym": ["AD-439"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109496", "category": ["biolink:ChemicalEntity"], "name": "MLN-01", "synonym": ["MLN-01"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109633", "category": ["biolink:ChemicalEntity"], "name": "IMGN-388", "synonym": ["Imgn-388", "IMGN-388"]}
{"name": "Integrin alpha-V", "xref": ["CHEMBL.TARGET:CHEMBL3660"], "id": "UniProtKB:P06756", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707228", "category": ["biolink:ChemicalEntity"], "name": "PLOZALIZUMAB", "synonym": ["Plozalizumab", "Plozalizumab", "HU-1D9", "MLN-1202", "MLN1202", "hu1D9", "Plozalizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108882", "category": ["biolink:ChemicalEntity"], "name": "SIBROTUZUMAB", "synonym": ["Sibrotuzumab", "Sibrotuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109398", "category": ["biolink:ChemicalEntity"], "name": "KB-004", "synonym": ["Kb-004", "KB-004"]}
{"name": "Ephrin type-A receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4954"], "id": "UniProtKB:P29320", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743089", "category": ["biolink:ChemicalEntity"], "name": "VESENCUMAB", "synonym": ["Vesencumab", "Vesencumab", "MNRP-1685A", "MNRP1685A", "RG-7347", "Vesencumab"]}
{"name": "Neuropilin-1", "xref": ["CHEMBL.TARGET:CHEMBL5174"], "id": "UniProtKB:O14786", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109250", "category": ["biolink:ChemicalEntity"], "name": "TGN-1412", "synonym": ["Tab08", "Tgn-1412", "Tgn1412", "Theralizumab", "CD28-SUPERMAB", "TAB-08", "TGN-1412"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109304", "category": ["biolink:ChemicalEntity"], "name": "MDX-1303", "synonym": ["Mdx-1303", "Valortim", "MDX-1303"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109303", "category": ["biolink:ChemicalEntity"], "name": "AVP-21D9", "synonym": ["Avp-21d9", "AVP-21D9", "AVP21D9"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743036", "category": ["biolink:ChemicalEntity"], "name": "LEXATUMUMAB", "synonym": ["Lexatumumab", "Lexatumumab", "ETR2-ST01", "HGS-1018", "HGS-ETR2", "HGS1018", "Lexatumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109247", "category": ["biolink:ChemicalEntity"], "name": "LBY-135", "synonym": ["Lby 135", "LBY-135", "LBY135"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545317", "category": ["biolink:ChemicalEntity"], "name": "REFANEZUMAB", "synonym": ["Refanezumab", "Gsk-249320", "GSK249320", "Refanezumab"]}
{"name": "Myelin-associated glycoprotein", "xref": ["CHEMBL.TARGET:CHEMBL5807"], "id": "UniProtKB:P20916", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707404", "category": ["biolink:ChemicalEntity"], "name": "LUMRETUZUMAB", "synonym": ["Lumretuzumab", "Lumretuzumab", "RG-7116", "RG7116", "RO-5479599", "RO5479599", "Lumretuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109401", "category": ["biolink:ChemicalEntity"], "name": "AV-203", "synonym": ["Av 203", "Av-203", "AV-203", "AV203", "CAN-017"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109604", "category": ["biolink:ChemicalEntity"], "name": "CAMOTESKIMAB", "synonym": ["Camoteskimab", "Camoteskimab", "Camoteskimab", "Aevi-007", "Camoteskimab", "AEVI-007", "AEVI007", "AVTX-007", "AVTX007", "CERC-007", "CERC007", "MEDI-2338", "MEDI2338"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109526", "category": ["biolink:ChemicalEntity"], "name": "PG-110", "synonym": ["Pg-110", "PG-110"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109527", "category": ["biolink:ChemicalEntity"], "name": "MEDI-578", "synonym": ["Medi-578", "MEDI-578"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109477", "category": ["biolink:ChemicalEntity"], "name": "SELICRELUMAB", "synonym": ["Selicrelumab", "Selicrelumab", "CP 870,893", "CP-870,893", "CP-870893", "RG-7876", "RG7876", "RO-7009789", "Selicrelumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109509", "category": ["biolink:ChemicalEntity"], "name": "HCBE-11", "synonym": ["Hcbe-11", "HCBE-11"]}
{"name": "Tumor necrosis factor receptor superfamily member 3", "xref": ["CHEMBL.TARGET:CHEMBL1250360"], "id": "UniProtKB:P36941", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109545", "category": ["biolink:ChemicalEntity"], "name": "TB-403", "synonym": ["Tb-403", "Thr 317", "RG-7334", "RO-5323441", "TB-403", "TB403", "THR-317"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109459", "category": ["biolink:ChemicalEntity"], "name": "CDP-484", "synonym": ["CDP-484"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109615", "category": ["biolink:ChemicalEntity"], "name": "MRA 003 US", "synonym": ["Mra 003 us", "MRA 003 US"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297732", "category": ["biolink:ChemicalEntity"], "name": "ZILTIVEKIMAB", "synonym": ["Ziltivekimab", "Cor-001", "Medi 5117", "Medi-5117", "Ziltivekimab", "COR-001", "COR001", "MEDI-5117", "MEDI5117", "NN-6018", "NN6018", "WBP-216", "WBP216", "Ziltivekimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109440", "category": ["biolink:ChemicalEntity"], "name": "LY-2787106", "synonym": ["Ly-2787106", "LY-2787106", "LY2787106"]}
{"name": "Hepcidin", "xref": ["CHEMBL.TARGET:CHEMBL3989381"], "id": "UniProtKB:P81172", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109513", "category": ["biolink:ChemicalEntity"], "name": "PD-360324", "synonym": ["Pd-360324", "PD-360324"]}
{"name": "Macrophage colony-stimulating factor 1", "xref": ["CHEMBL.TARGET:CHEMBL3989382"], "id": "UniProtKB:P09603", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109512", "category": ["biolink:ChemicalEntity"], "name": "MCS-110", "synonym": ["Mcs-110", "MCS-110"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109531", "category": ["biolink:ChemicalEntity"], "name": "MEDI-6469", "synonym": ["9b12, a murine igg1 antibody", "Medi 6469", "Medi-6469", "MEDI-6469", "MEDI6469"]}
{"name": "Tumor necrosis factor receptor superfamily member 4", "xref": ["CHEMBL.TARGET:CHEMBL3989383"], "id": "UniProtKB:P43489", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109534", "category": ["biolink:ChemicalEntity"], "name": "PF-03732010", "synonym": ["P-cadherin antagonist pf-03732010", "Pf-03732010", "PF-03732010", "PF03732010"]}
{"name": "Cadherin-3", "xref": ["CHEMBL.TARGET:CHEMBL3989384"], "id": "UniProtKB:P22223", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109546", "category": ["biolink:ChemicalEntity"], "name": "SAR-279356", "synonym": ["Anti-pnag antibody f598", "Sar-279356", "F-598", "F598", "SAR-279356"]}
{"id": "CHEMBL.TARGET:CHEMBL3989385", "category": ["biolink:MolecularEntity"], "name": "Poly-N-acetylglucosamine"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109255", "category": ["biolink:ChemicalEntity"], "name": "HEFI-1", "synonym": ["Hefi-1", "HEFI-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109636", "category": ["biolink:ChemicalEntity"], "name": "VILOBELIMAB", "synonym": ["Vilobelimab", "Vilobelimab", "Vilobelimab", "CACP 29", "CACP29", "IFX-1", "Vilobelimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109567", "category": ["biolink:ChemicalEntity"], "name": "MEDI-564", "synonym": ["MEDI-564"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109566", "category": ["biolink:ChemicalEntity"], "name": "MEDI-557", "synonym": ["Medi-557", "MEDI-557"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109479", "category": ["biolink:ChemicalEntity"], "name": "PF-03475952", "synonym": ["PF-03475952"]}
{"name": "CD44 antigen", "xref": ["CHEMBL.TARGET:CHEMBL3232692"], "id": "UniProtKB:P16070", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109288", "category": ["biolink:ChemicalEntity"], "name": "BIVATUZUMAB MERTANSINE", "synonym": ["Bivatuzumab mertansine", "Biwa-4 mertansine", "BIWA-1-DM1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108413", "category": ["biolink:ChemicalEntity"], "name": "BIVATUZUMAB", "synonym": ["Bivatuzumab", "Bivatuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109486", "category": ["biolink:ChemicalEntity"], "name": "CDP-850", "synonym": ["CDP-850"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109593", "category": ["biolink:ChemicalEntity"], "name": "FGI-101-1A6", "synonym": ["Fgi-101-1a6", "FGI-101-1A6"]}
{"name": "Tumor susceptibility gene 101 protein", "xref": ["CHEMBL.TARGET:CHEMBL6157"], "id": "UniProtKB:Q99816", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109372", "category": ["biolink:ChemicalEntity"], "name": "MEDI-565", "synonym": ["Medi-565", "MEDI-565"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833304", "category": ["biolink:ChemicalEntity"], "name": "TOSITUMOMAB 131I", "synonym": ["Tositumomab/iodine (131i) tositumomab", "Tositumomab 131i", "Bexxar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109665", "category": ["biolink:ChemicalEntity"], "name": "OCARATUZUMAB", "synonym": ["Ocaratuzumab", "Ocaratuzumab", "AME-133v", "LY2469298", "Ocaratuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109348", "category": ["biolink:ChemicalEntity"], "name": "LFB-R603", "synonym": ["Lfb-r603", "LFB-R603"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109351", "category": ["biolink:ChemicalEntity"], "name": "FBT-A05", "synonym": ["FBT-A05"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109437", "category": ["biolink:ChemicalEntity"], "name": "KHK-2866", "synonym": ["Khk-2866", "KHK-2866", "KHK2866"]}
{"name": "Proheparin-binding EGF-like growth factor", "xref": ["CHEMBL.TARGET:CHEMBL3286070"], "id": "UniProtKB:Q99075", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109622", "category": ["biolink:ChemicalEntity"], "name": "PF-04605412", "synonym": ["Pf 04605412", "Pf-04605412", "PF-04605412", "PF04605412"]}
{"name": "Integrin alpha-5", "xref": ["CHEMBL.TARGET:CHEMBL3955"], "id": "UniProtKB:P08648", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544992", "category": ["biolink:ChemicalEntity"], "name": "DENINTUZUMAB", "synonym": ["HBU-12", "hBU12", "Denintuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109337", "category": ["biolink:ChemicalEntity"], "name": "MDX-1342", "synonym": ["Mdx-1342", "MDX-1342"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109338", "category": ["biolink:ChemicalEntity"], "name": "AMG-729", "synonym": ["AMG-729"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109469", "category": ["biolink:ChemicalEntity"], "name": "AFASEVIKUMAB", "synonym": ["Afasevikumab", "Afasevikumab", "MCAF-5352A", "MCAF5352A", "NI-1401", "RG-7624", "RG7624", "RO-5553110", "RO5553110", "Afasevikumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109470", "category": ["biolink:ChemicalEntity"], "name": "PERAKIZUMAB", "synonym": ["Perakizumab", "Perakizumab", "RG-4934", "RG4934", "RO-5310074", "RO5310074", "Perakizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109416", "category": ["biolink:ChemicalEntity"], "name": "MORAB-028", "synonym": ["Morab-028", "MORAB-028"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109264", "category": ["biolink:ChemicalEntity"], "name": "SOLITOMAB", "synonym": ["Solitomab", "Solitomab", "MT110"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109434", "category": ["biolink:ChemicalEntity"], "name": "IMC-GP100", "synonym": ["IMC-GP100"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545372", "category": ["biolink:ChemicalEntity"], "name": "SOFITUZUMAB VEDOTIN", "synonym": ["Sofituzumab vedotin", "Sofituzumab vedotine", "Sofituzumab vedotina", "Sofituzumab vedotin", "Anti-MUC16 ADC", "DMUC-5754A", "DMUC5754A", "RG-7458", "Sofituzumab vedotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545261", "category": ["biolink:ChemicalEntity"], "name": "BRONTICTUZUMAB", "synonym": ["Brontictuzumab", "Brontictuzumab", "OMP-52M51", "Brontictuzumab"]}
{"name": "Neurogenic locus notch homolog protein 1", "xref": ["CHEMBL.TARGET:CHEMBL2146346"], "id": "UniProtKB:P46531", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833343", "category": ["biolink:ChemicalEntity"], "name": "VOBARILIZUMAB", "synonym": ["Vobarilizumab", "Vobarilizumab", "ALX-0061", "ALX0061", "Vobarilizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108671", "category": ["biolink:ChemicalEntity"], "name": "ACTOXUMAB", "synonym": ["Actoxumab", "Mdx-066", "Actoxumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108474", "category": ["biolink:ChemicalEntity"], "name": "MASLIMOMAB", "synonym": ["Maslimomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545316", "category": ["biolink:ChemicalEntity"], "name": "RINUCUMAB", "synonym": ["Rinucumab", "Rinucumab", "REGN-2176", "REGN2176", "Rinucumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301588", "category": ["biolink:ChemicalEntity"], "name": "TAREXTUMAB", "synonym": ["Tarextumab", "Tarextumab", "OMP-59R5", "Tarextumab"]}
{"name": "Neurogenic locus notch homolog protein 3", "xref": ["CHEMBL.TARGET:CHEMBL3407319"], "id": "UniProtKB:Q9UM47", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neurogenic locus notch homolog protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3407320"], "id": "UniProtKB:Q04721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108674", "category": ["biolink:ChemicalEntity"], "name": "RAMATERCEPT", "synonym": ["Ramatercept", "Ramatercept", "ACE-031", "Ace-031", "Ramatercept"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109522", "category": ["biolink:ChemicalEntity"], "name": "PF-03446879", "synonym": ["PF-03446879"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544991", "category": ["biolink:ChemicalEntity"], "name": "DOMAGROZUMAB", "synonym": ["Domagrozumab", "Domagrozumab", "PF-06252616", "Domagrozumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545374", "category": ["biolink:ChemicalEntity"], "name": "TREVOGRUMAB", "synonym": ["Trevogrumab", "Human igg4 anti-myostatin mab", "Trevogrumab", "REGN-1033", "REGN1033", "SAR-391786", "SAR391786", "Trevogrumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109464", "category": ["biolink:ChemicalEntity"], "name": "CNTO-5825", "synonym": ["Cnto-5825", "CNTO-5825"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109298", "category": ["biolink:ChemicalEntity"], "name": "MEDI-3617", "synonym": ["Medi 3617", "Medi-3617", "MEDI-3617", "MEDI3617"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108784", "category": ["biolink:ChemicalEntity"], "name": "ZIRALIMUMAB", "synonym": ["Ziralimumab", "ABX-RB2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109265", "category": ["biolink:ChemicalEntity"], "name": "MOC31-PE", "synonym": ["Moc31-pe", "MOC31-PE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109635", "category": ["biolink:ChemicalEntity"], "name": "SAR-566658", "synonym": ["Sar 566658", "Sar-566658", "SAR-566658", "SAR566658", "huDS6-DM4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109365", "category": ["biolink:ChemicalEntity"], "name": "HUPAM4", "synonym": ["HUPAM4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108592", "category": ["biolink:ChemicalEntity"], "name": "EPITUMOMAB CITUXETAN", "synonym": ["Epitumomab cituxetan", "Hmfg 1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108403", "category": ["biolink:ChemicalEntity"], "name": "EPITUMOMAB", "synonym": ["Epitumomab", "Epitumomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109284", "category": ["biolink:ChemicalEntity"], "name": "CMB-401", "synonym": ["CMB-401", "HCTMO1-CALICHEAMICIN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109360", "category": ["biolink:ChemicalEntity"], "name": "AS-1403", "synonym": ["AS-1403", "Therafab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743055", "category": ["biolink:ChemicalEntity"], "name": "PANOBACUMAB", "synonym": ["Panobacumab", "AERUMAB 11"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109438", "category": ["biolink:ChemicalEntity"], "name": "MBL-HCV-1", "synonym": ["Mbl-hcv-1", "MBL-HCV-1"]}
{"name": "Genome polyprotein", "xref": ["CHEMBL.TARGET:CHEMBL3638344"], "id": "UniProtKB:P27958", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:63746"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743033", "category": ["biolink:ChemicalEntity"], "name": "ITOLIZUMAB", "synonym": ["Itolizumab", "Itolizumab", "BMAB-600", "Bmab 600", "EQ-001", "EQ001", "T1h", "Itolizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109516", "category": ["biolink:ChemicalEntity"], "name": "SS1(DSFV)-PE38", "synonym": ["Ss1(dsfv)-pe38", "SS1(DSFV)-PE38"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109281", "category": ["biolink:ChemicalEntity"], "name": "RG-7600", "synonym": ["DMOT4039A", "RG-7600"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109629", "category": ["biolink:ChemicalEntity"], "name": "ANETUMAB RAVTANSINE", "synonym": ["Anetumab ravtansine", "Anetumab ravtansina", "Anetumab ravtansine", "BAY 94-9343", "BAY-94-9343", "BAY-949343", "BAY94-9343", "BAY949343"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109310", "category": ["biolink:ChemicalEntity"], "name": "8H9 131I", "synonym": ["8h9 131i", "8H9"]}
{"name": "CD276 antigen", "xref": ["CHEMBL.TARGET:CHEMBL3712879"], "id": "UniProtKB:Q5ZPR3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545373", "category": ["biolink:ChemicalEntity"], "name": "ENOBLITUZUMAB", "synonym": ["Enoblituzumab", "Enoblituzumab", "MGA-271", "MGA271", "Enoblituzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039539", "category": ["biolink:ChemicalEntity"], "name": "OTLERTUZUMAB", "synonym": ["Otlertuzumab", "Otlertuzumab", "TRU-016", "Otlertuzumab"]}
{"name": "Leukocyte antigen CD37", "xref": ["CHEMBL.TARGET:CHEMBL3712880"], "id": "UniProtKB:P11049", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109268", "category": ["biolink:ChemicalEntity"], "name": "NARATUXIMAB EMTANSINE", "synonym": ["Naratuximab emtansine", "Naratuximab emtansina", "Imgn 529", "Imgn529", "K7153a-smcc-dm1", "Naratuximab emtansine", "DEBIO-1562", "IMGN-529", "IMGN529"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544923", "category": ["biolink:ChemicalEntity"], "name": "LABETUZUMAB GOVITECAN", "synonym": ["Labetuzumab govitecan", "Anti-ceacam5-sn 38", "Labetuzumab govitecan", "IMMU-130", "Labetuzumab govitecan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108818", "category": ["biolink:ChemicalEntity"], "name": "YTTRIUM Y 90 LABETUZUMAB", "synonym": ["Labetuzumab 90y", "Yttrium y 90 labetuzumab", "Yttrium y-90 labetuzumab", "90Y-HMN-14", "S9S0Y-HMN-14", "Yttrium y 90 labetuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109491", "category": ["biolink:ChemicalEntity"], "name": "COL-1", "synonym": ["COL-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108253", "category": ["biolink:ChemicalEntity"], "name": "ARCITUMOMAB", "synonym": ["Arcitumomab", "Arcitumomab", "Arcitumomab", "IMMU 4", "IMMU-4", "Cea-scan", "Arcitumomab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109370", "category": ["biolink:ChemicalEntity"], "name": "T84.66", "synonym": ["T84.66"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109369", "category": ["biolink:ChemicalEntity"], "name": "90Y-CT84.66", "synonym": ["90Y-CT84.66"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108790", "category": ["biolink:ChemicalEntity"], "name": "TELIMOMAB ARITOX", "synonym": ["Telimomab aritox", "Telimomab aritox", "T-101", "T101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743031", "category": ["biolink:ChemicalEntity"], "name": "INDATUXIMAB RAVTANSINE", "synonym": ["Indatuximab ravtansine", "Indatuximab ravtansina", "Indatuximab ravtansine", "BT-062"]}
{"name": "Syndecan-1", "xref": ["CHEMBL.TARGET:CHEMBL3712898"], "id": "UniProtKB:P18827", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109492", "category": ["biolink:ChemicalEntity"], "name": "MDX-1411", "synonym": ["Mdx-1411", "MDX-1411"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109385", "category": ["biolink:ChemicalEntity"], "name": "ENOTICUMAB", "synonym": ["Enoticumab", "Enoticumab", "REGN-421", "REGN421"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108707", "category": ["biolink:ChemicalEntity"], "name": "GLEMBATUMUMAB", "synonym": ["Glembatumumab", "Glembatumumab", "CR-011", "CR011", "CR011-VCMMAE", "Glembatumumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109293", "category": ["biolink:ChemicalEntity"], "name": "KRN-330", "synonym": ["Krn 330", "Krn-330", "Krn330", "KRN-330"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109435", "category": ["biolink:ChemicalEntity"], "name": "HUA33", "synonym": ["Hua33", "HUA33"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301589", "category": ["biolink:ChemicalEntity"], "name": "ENFORTUMAB VEDOTIN", "synonym": ["Enfortumab vedotin", "Enfortumab vedotin", "Enfortumab vedotin-ejfv", "Enfortumab vedotin", "Enfortumab vedotine", "Enfortumab vedotina", "Asg-22ce", "Enfortumab vedotin", "Enfortumab vedotin ejfv", "AGS-22CE", "AGS-22M6E", "AGS-22ME", "AGS-22MSE", "ASG-22ME", "Padcev", "Enfortumab vedotin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Nectin-4", "xref": ["CHEMBL.TARGET:CHEMBL3712928"], "id": "UniProtKB:Q96NY8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109449", "category": ["biolink:ChemicalEntity"], "name": "MEDI-570", "synonym": ["Medi 570", "Medi-570", "MEDI-570"]}
{"name": "Inducible T-cell costimulator", "xref": ["CHEMBL.TARGET:CHEMBL3712953"], "id": "UniProtKB:Q9Y6W8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109430", "category": ["biolink:ChemicalEntity"], "name": "GIMSILUMAB", "synonym": ["Gimsilumab", "Gimsilumab", "MORAB022", "MORAb-022", "Gimsilumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707325", "category": ["biolink:ChemicalEntity"], "name": "LENZILUMAB", "synonym": ["Lenzilumab", "Lenzilumab", "KB-003", "KB003", "Lenzilumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833306", "category": ["biolink:ChemicalEntity"], "name": "VANDORTUZUMAB VEDOTIN", "synonym": ["Vandortuzumab vedotin", "Vandortuzumab vedotine", "Vandortuzumab vedotina", "Vandortuzumab vedotin", "DSTP3086S", "MSTP2109A", "RG-7450", "RG7450", "Vandortuzumab vedotin"]}
{"name": "STEAP1 protein", "xref": ["CHEMBL.TARGET:CHEMBL3712956"], "id": "UniProtKB:Q9UHE8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109548", "category": ["biolink:ChemicalEntity"], "name": "MK-4721", "synonym": ["Ags 1c4d4", "Mk-4721", "AGS-1C4D4", "AGS-PSCA", "MK-4721"]}
{"name": "Prostate stem cell antigen", "xref": ["CHEMBL.TARGET:CHEMBL3712961"], "id": "UniProtKB:O43653", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109664", "category": ["biolink:ChemicalEntity"], "name": "ELDELUMAB", "synonym": ["Eldelumab", "Eldelumab", "BMS-936557", "MDX-1100", "Eldelumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109327", "category": ["biolink:ChemicalEntity"], "name": "CSL-360", "synonym": ["Csl-360", "CSL-360"]}
{"name": "Interleukin-3 receptor subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3712987"], "id": "UniProtKB:P26951", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Melanocyte protein PMEL", "xref": ["CHEMBL.TARGET:CHEMBL3712988"], "id": "UniProtKB:P40967", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109428", "category": ["biolink:ChemicalEntity"], "name": "TRX-518", "synonym": ["Trx-518", "TRX-518"]}
{"name": "Tumor necrosis factor receptor superfamily member 18", "xref": ["CHEMBL.TARGET:CHEMBL3712995"], "id": "UniProtKB:Q9Y5U5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109138", "category": ["biolink:ChemicalEntity"], "name": "MOROLIMUMAB", "synonym": ["Morolimumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109309", "category": ["biolink:ChemicalEntity"], "name": "RHIGM12B7", "synonym": ["Rhigm12b7", "RHIGM12B7"]}
{"name": "Programmed cell death 1 ligand 2", "xref": ["CHEMBL.TARGET:CHEMBL3713006"], "id": "UniProtKB:Q9BQ51", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108407", "category": ["biolink:ChemicalEntity"], "name": "FARALIMOMAB", "synonym": ["Faralimomab", "64G12"]}
{"name": "Interferon alpha-1/13", "xref": ["CHEMBL.TARGET:CHEMBL3713007"], "id": "UniProtKB:P01562", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109574", "category": ["biolink:ChemicalEntity"], "name": "ASG-5ME", "synonym": ["Asg-5me", "ASG-5ME"]}
{"name": "Choline transporter-like protein 4", "xref": ["CHEMBL.TARGET:CHEMBL3713014"], "id": "UniProtKB:Q53GD3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109600", "category": ["biolink:ChemicalEntity"], "name": "RO-5458640", "synonym": ["Ro-5458640", "RG-7212", "RO-5458640"]}
{"name": "Tumor necrosis factor ligand superfamily member 12", "xref": ["CHEMBL.TARGET:CHEMBL3713023"], "id": "UniProtKB:O43508", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109598", "category": ["biolink:ChemicalEntity"], "name": "BIIB-023", "synonym": ["Biib-023", "BIIB-023"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109575", "category": ["biolink:ChemicalEntity"], "name": "BIIB-015", "synonym": ["Biib-015", "BIIB-015"]}
{"name": "Protein Cripto", "xref": ["CHEMBL.TARGET:CHEMBL3713025"], "id": "UniProtKB:P13385", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109363", "category": ["biolink:ChemicalEntity"], "name": "BRE-3 90Y", "synonym": ["Bre-3 90y", "BRE-3"]}
{"name": "Lactadherin", "xref": ["CHEMBL.TARGET:CHEMBL3713343"], "id": "UniProtKB:Q08431", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108040", "category": ["biolink:ChemicalEntity"], "name": "MIROCOCEPT", "synonym": ["Mirococept", "APT 070", "APT-070"]}
{"name": "Complement receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL3713643"], "id": "UniProtKB:P17927", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109495", "category": ["biolink:ChemicalEntity"], "name": "E2.3", "synonym": ["E2.3", "E2.3"]}
{"id": "CHEMBL.TARGET:CHEMBL3988361", "category": ["biolink:ProteinFamily"], "name": "Transferrin receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109536", "category": ["biolink:ChemicalEntity"], "name": "KB-001", "synonym": ["Kb-001", "KB-001", "Humaneered"]}
{"name": "Low calcium response locus protein V", "synonym": ["PcrV"], "xref": ["CHEMBL.TARGET:CHEMBL3988501"], "id": "UniProtKB:O30527", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743061", "category": ["biolink:ChemicalEntity"], "name": "RAFIVIRUMAB", "synonym": ["Rafivirumab", "CR-57", "CR57", "Rafivirumab component of cl-184  cr-57"]}
{"name": "Glycoprotein", "xref": ["CHEMBL.TARGET:CHEMBL3988502"], "id": "UniProtKB:O92284", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11294"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743021", "category": ["biolink:ChemicalEntity"], "name": "FORAVIRUMAB", "synonym": ["Foravirumab", "CR-4098", "CR4098", "Foravirumab component of cl-184", "Foravirumab component of cl184"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107880", "category": ["biolink:ChemicalEntity"], "name": "REGAVIRUMAB", "synonym": ["Regavirumab", "MCA-C23", "TI-23"]}
{"name": "Envelope glycoprotein B", "xref": ["CHEMBL.TARGET:CHEMBL3988503"], "id": "UniProtKB:P06473", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10360"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108881", "category": ["biolink:ChemicalEntity"], "name": "SEVIRUMAB", "synonym": ["Sevirumab", "Sevirumab", "EV2-7", "MSL-109", "SDZ MSL 109", "SDZ-MSL-109", "Protovir", "Sevirumab"]}
{"name": "Envelope glycoprotein H", "xref": ["CHEMBL.TARGET:CHEMBL3988504"], "id": "UniProtKB:P12824", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10360"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109374", "category": ["biolink:ChemicalEntity"], "name": "TRC-093", "synonym": ["Trc-093", "MT-293", "TRC-093", "TRC093"]}
{"name": "Collagen alpha-4(IV) chain", "xref": ["CHEMBL.TARGET:CHEMBL3988505"], "id": "UniProtKB:P53420", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109625", "category": ["biolink:ChemicalEntity"], "name": "MGAWN1", "synonym": ["Mgawn1", "MGAWN1"]}
{"name": "E protein", "xref": ["CHEMBL.TARGET:CHEMBL3988506"], "id": "UniProtKB:Q0PJA6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11082"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109124", "category": ["biolink:ChemicalEntity"], "name": "DORLIMOMAB ARITOX", "synonym": ["Dorlimomab aritox", "MDX-RA", "ST-1 4197X-RA"]}
{"id": "CHEMBL.TARGET:CHEMBL3987582", "category": ["biolink:MacromolecularComplex"], "name": "80S Ribosome"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109568", "category": ["biolink:ChemicalEntity"], "name": "HNK20", "synonym": ["HNK20"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109101", "category": ["biolink:ChemicalEntity"], "name": "FELVIZUMAB", "synonym": ["Felvizumab", "RSHZ-19", "RSHZ19", "SB 209763", "SB-209763", "SB209763", "Felvizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108252", "category": ["biolink:ChemicalEntity"], "name": "APOLIZUMAB", "synonym": ["Apolizumab", "Apolizumab", "Apolizumab", "Remitogen", "HU-1D10", "HU1D10", "Remitogen smart1d10", "Apolizumab"]}
{"id": "CHEMBL.TARGET:CHEMBL3988561", "category": ["biolink:ProteinFamily"], "name": "Human leukocyte antigen DR beta chain"}
{"id": "CHEMBL.COMPOUND:CHEMBL3833345", "category": ["biolink:ChemicalEntity"], "name": "BIRTAMIMAB", "synonym": ["Birtamimab", "Birtamimab", "ELT1-01", "Hu2A4", "NEOD001", "Birtamimab"]}
{"id": "CHEMBL.TARGET:CHEMBL3988521", "category": ["biolink:MolecularEntity"], "name": "Light chain aggregates"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109302", "category": ["biolink:ChemicalEntity"], "name": "MU-11-1F4 124I", "synonym": ["Mu-11-1f4 124i", "MU-11-1F4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109680", "category": ["biolink:ChemicalEntity"], "name": "IDEC-159 90Y", "synonym": ["Idec-159 (90y)", "Idec-159 90y", "IDEC-159"]}
{"id": "CHEMBL.TARGET:CHEMBL3988522", "category": ["biolink:MolecularEntity"], "name": "Tumor-associated antigen 72"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109679", "category": ["biolink:ChemicalEntity"], "name": "IDEC-159 111IN", "synonym": ["Idec-159 (111in)", "Idec-159 111in", "IDEC-159"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109576", "category": ["biolink:ChemicalEntity"], "name": "IDEC-159", "synonym": ["Idec-159", "IDEC-159"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108796", "category": ["biolink:ChemicalEntity"], "name": "MINRETUMOMAB", "synonym": ["Minretumomab", "Cc-49", "Minretumomab", "CC49", "MAB-CC49", "MOAB CC49"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109514", "category": ["biolink:ChemicalEntity"], "name": "PTI-6D2", "synonym": ["Pti-6d2", "PTI-6D2"]}
{"id": "CHEMBL.TARGET:CHEMBL3988541", "category": ["biolink:MolecularEntity"], "name": "Melanin"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109563", "category": ["biolink:ChemicalEntity"], "name": "RAV-12", "synonym": ["Rav-12", "RAV-12"]}
{"id": "CHEMBL.TARGET:CHEMBL3988542", "category": ["biolink:MolecularEntity"], "name": "RAAG12"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108042", "category": ["biolink:ChemicalEntity"], "name": "PAGIBAXIMAB", "synonym": ["Pagibaximab", "Pagibaximab", "A-110", "A110", "BSYX-A110", "Pagibaximab"]}
{"id": "CHEMBL.TARGET:CHEMBL3988543", "category": ["biolink:MolecularEntity"], "name": "Lipoteichoic acid"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109533", "category": ["biolink:ChemicalEntity"], "name": "ORTICUMAB", "synonym": ["Orticumab", "Orticumab", "BI-204", "MLDL-1278A", "RG-7418"]}
{"id": "CHEMBL.TARGET:CHEMBL3988544", "category": ["biolink:MolecularEntity"], "name": "Oxidized LDL"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109502", "category": ["biolink:ChemicalEntity"], "name": "SGN-15", "synonym": ["Sgn-15", "BMS-182248", "BR-96 CBR96-DOXORUBICIN IMMUNOCONJUGATE", "BR96", "SGN-15"]}
{"id": "CHEMBL.TARGET:CHEMBL3987607", "category": ["biolink:MolecularEntity"], "name": "Lewis Y antigen"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109306", "category": ["biolink:ChemicalEntity"], "name": "LMB-1", "synonym": ["LMB-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109506", "category": ["biolink:ChemicalEntity"], "name": "HU3S193", "synonym": ["Hu3s193", "HU3S193"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109503", "category": ["biolink:ChemicalEntity"], "name": "LMB-9", "synonym": ["Lmb-9", "B3 (DSFV) -PE (PSEUDOMONAS AERUGINOSA EXOTOXIN A)38", "LMB-9"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109307", "category": ["biolink:ChemicalEntity"], "name": "LMB-7", "synonym": ["Lmb-7", "LMB-7"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109501", "category": ["biolink:ChemicalEntity"], "name": "IGN-311", "synonym": ["IGN-311"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109504", "category": ["biolink:ChemicalEntity"], "name": "CMD-193", "synonym": ["Cmd-193", "CMD-193"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109644", "category": ["biolink:ChemicalEntity"], "name": "TNT-1B", "synonym": ["Tnt-1b", "TNT-1B", "Cotara"]}
{"id": "CHEMBL.TARGET:CHEMBL3988061", "category": ["biolink:MolecularEntity"], "name": "DNA-histone H1 complex"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109386", "category": ["biolink:ChemicalEntity"], "name": "CHTNT-1 131I", "synonym": ["Chtnt-1 131i", "CHTNT-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109570", "category": ["biolink:ChemicalEntity"], "name": "SONEPCIZUMAB", "synonym": ["Asonep", "Isonep", "Sonepcizumab", "Sphingomab", "LT-1009", "LT1009"]}
{"id": "CHEMBL.TARGET:CHEMBL3988062", "category": ["biolink:MolecularEntity"], "name": "Sphingosine 1-phosphate"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743059", "category": ["biolink:ChemicalEntity"], "name": "RACOTUMOMAB", "synonym": ["Racotumomab", "Racotumomab"]}
{"id": "CHEMBL.TARGET:CHEMBL3831292", "category": ["biolink:MolecularEntity"], "name": "Ganglioside GM3 (NeuGcGM3)"}
{"id": "CHEMBL.TARGET:CHEMBL3991503", "category": ["biolink:MacromolecularComplex"], "name": "DNA topoisomerase IV"}
{"id": "CHEMBL.COMPOUND:CHEMBL2325741", "category": ["biolink:ChemicalEntity"], "name": "CAPIVASERTIB", "xref": ["InChIKey:JDUBGYFRJFOXQC-KRWDZBQOSA-N", "SMILES:NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2nc[nH]c3nccc2-3)CC1"], "synonym": ["Capivasertib", "Capivasertib", "Capivasertib", "Capivasertib", "Azd 5363", "Azd-5363", "Capivasertib", "AZC5363", "AZD-5363", "AZD5363", "Truqap", "Capivasertib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989914", "category": ["biolink:ChemicalEntity"], "name": "GLESATINIB", "xref": ["InChIKey:YRCHYHRCBXNYNU-UHFFFAOYSA-N", "SMILES:COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2)nc1"], "synonym": ["Glesatinib", "Glesatinib", "Mgcd-265", "MG-90265", "MG-90265X", "MG90265", "MG90265H9", "MG90265X", "MG90265gly", "MGCD-265", "MGCD265", "Glesatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336325", "category": ["biolink:ChemicalEntity"], "name": "VISTUSERTIB", "xref": ["InChIKey:JUSFANSTBFGBAF-IRXDYDNUSA-N", "SMILES:CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1"], "synonym": ["Vistusertib", "Vistusertib", "Azd-2014", "Vistusertib", "AZD-2014", "AZD2014", "Vistusertib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL429910", "category": ["biolink:ChemicalEntity"], "name": "DAPAGLIFLOZIN", "xref": ["InChIKey:JVHXJTBJCFBINQ-ADAARDCZSA-N", "SMILES:CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1"], "synonym": ["Dapagliflozin", "Dapagliflozin", "Dapagliflozin", "Dapagliflozin", "Dapagliflozin", "Dapagliflozine", "Dapagliflozina", "Dapagliflozin", "Dapagliflozin", "BMS-512148", "LYN-045", "Dapagliflozin component of br1019", "Dapagliflozin component of qtern", "Dapagliflozin component of qternmet", "Dapagliflozin component of qternmet  dapaglifozin", "Dapagliflozin component of qternmet xr", "Dapagliflozin viatris", "Dapagliflozin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL471737", "category": ["biolink:ChemicalEntity"], "name": "IVABRADINE", "xref": ["InChIKey:ACRHBAYQBXXRTO-OAQYLSRUSA-N", "SMILES:COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2"], "synonym": ["Ivabradine", "Ivabradine", "Ivabradine", "Ivabradine", "Ivabradina", "Ivabradine", "S-16257", "Ivabradine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1790041", "category": ["biolink:ChemicalEntity"], "name": "RANITIDINE", "xref": ["InChIKey:VMXUWOKSQNHOCA-UHFFFAOYSA-N", "SMILES:CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1"], "synonym": ["Ranitidine", "Ranitidine", "Ranitidine", "Ranitidina", "Ranitidine", "Ranitidine", "NSC-757851", "Ranitidine"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL655", "category": ["biolink:ChemicalEntity"], "name": "MIDAZOLAM", "xref": ["InChIKey:DDLIGBOFAVUZHB-UHFFFAOYSA-N", "SMILES:Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2"], "synonym": ["Midazolam", "Midazolam", "Midazolam", "Midazolam", "Midazolam", "Midazolam", "Midazolam", "USL-261", "USL261", "Midazolam in 0.8% sodium chloride", "Midazolam in 0.9% sodium chloride", "Nayzilam", "Midazolam", "Midazolam civ"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL95889", "category": ["biolink:ChemicalEntity"], "name": "BETAINE", "xref": ["InChIKey:KWIUHFFTVRNATP-UHFFFAOYSA-O", "SMILES:C[N+](C)(C)CC(=O)O"], "synonym": ["Betaine", "Betaine", "Betaine", "Betaine", "Betaine", "Abromine", "Betaine", "Betaine anhydrous", "Betaine, anhydrous", "FEMA NO. 4223", "NSC-166511", "Amversio", "Cystadane", "Betaine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL354077", "category": ["biolink:ChemicalEntity"], "name": "AMIFAMPRIDINE", "xref": ["InChIKey:OYTKINVCDFNREN-UHFFFAOYSA-N", "SMILES:Nc1ccncc1N"], "synonym": ["Amifampridine", "Amifampridine", "Amifampridina", "Amifampridine", "3,4-diammoniopyridinium", "Amifampridine", "Dynamine", "Pyridine-3,4-diamine", "3,4-DAP", "4-DAP", "DAP", "NSC-521760", "Ruzurgi", "Amifampridine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL766", "category": ["biolink:ChemicalEntity"], "name": "CILASTATIN", "xref": ["InChIKey:DHSUYTOATWAVLW-WFVMDLQDSA-N", "SMILES:CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)O"], "synonym": ["Cilastatin", "Cilastatin", "Cilastatine", "Cilastatina", "Cilastatin", "Cilastatin", "Primaxin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301611", "category": ["biolink:ChemicalEntity"], "name": "AMIFAMPRIDINE PHOSPHATE", "xref": ["InChIKey:KAICRBBQCRKMPO-UHFFFAOYSA-N", "SMILES:Nc1ccncc1N.O=P(O)(O)O"], "synonym": ["Amifampridine phosphate", "Amifampridine phosphate", "Amifampridine phosphate", "Amifampridine phosphate", "Zenas", "3,4-DAPP", "DAPP", "Amifampridine serb", "Firdapse", "Firdapse (previously zenas)", "Amifampridine phosphate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105758", "category": ["biolink:ChemicalEntity"], "name": "AVATROMBOPAG MALEATE", "xref": ["InChIKey:MISPBGHDNZYFNM-BTJKTKAUSA-N", "SMILES:O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Avatrombopag maleate", "Avatrombopag maleate", "Avatrombopag maleate", "Avatrombopag maleate", "Avatrombopag maleate", "E-5501 MALEATE", "E5501 MALEATE", "Doptelet", "Avatrombopag maleate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2364608", "category": ["biolink:ChemicalEntity"], "name": "DORAVIRINE", "xref": ["InChIKey:ZIAOVIPSKUPPQW-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O"], "synonym": ["Doravirine", "Doravirine", "Doravirine", "Doravirine", "Doravirina", "Doravirine", "Doravirine", "Mk-1439a", "MK-1439", "Doravirine component of delstrigo", "Pifeltro", "Doravirine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989516", "category": ["biolink:ChemicalEntity"], "name": "FOSTAMATINIB DISODIUM", "xref": ["InChIKey:ZQGJCHHKJNSPMS-UHFFFAOYSA-L", "SMILES:COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)([O-])[O-])C(=O)C(C)(C)O4)n2)cc(OC)c1OC.O.O.O.O.O.O.[Na+].[Na+]"], "synonym": ["Fostamatinib disodium", "Fostamatinib disodium", "Fostamatinib sodium hydrate", "Fostamatinib disodium salt hexahydrate", "Fostamatinib disodium", "Fostamatinib disodium hexahydrate", "Fostamatinib sodium hydrate", "R-788 SODIUM", "R-788 SODIUM HYDRATE", "R-935788 SODIUM", "R-935788 SODIUM HYDRATE", "R788 SODIUM", "R788 SODIUM HYDRATE", "R935788 SODIUM", "R935788 SODIUM HYDRATE", "Tavalisse", "Tavlesse", "Fostamatinib disodium"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301603", "category": ["biolink:ChemicalEntity"], "name": "GILTERITINIB FUMARATE", "xref": ["InChIKey:UJOUWHLYTQFUCU-WXXKFALUSA-N", "SMILES:CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.O=C(O)/C=C/C(=O)O"], "synonym": ["Gilteritinib fumarate", "Gilteritinib fumarate", "Gilteritinib fumarate", "Gilteritinib hemifumarate", "ASP-2215 HEMIFUMARATE", "ASP2215 hemifumarate", "Xospata", "Gilteritinib fumarate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297534", "category": ["biolink:ChemicalEntity"], "name": "GLASDEGIB MALEATE", "xref": ["InChIKey:VJCVKWFBWAVYOC-UIXXXISESA-N", "SMILES:CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Glasdegib maleate", "Glasdegib maleate", "Glasdegib maleate", "PF-04449913 MALEATE", "Daurismo"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989958", "category": ["biolink:ChemicalEntity"], "name": "IVOSIDENIB", "xref": ["InChIKey:WIJZXSAJMHAVGX-DHLKQENFSA-N", "SMILES:N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1"], "synonym": ["Ivosidenib", "Ivosidenib", "Ivosidenib", "Ivosidenib", "Ivosidenib", "Ivosidenib", "AG-120", "Tibsovo", "Ivosidenib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Isocitrate dehydrogenase [NADP] cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL2007625"], "id": "UniProtKB:O75874", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107831", "category": ["biolink:ChemicalEntity"], "name": "LUSUTROMBOPAG", "xref": ["InChIKey:NOZIJMHMKORZBA-KJCUYJGMSA-N", "SMILES:CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\\C)C(=O)O)c(Cl)c3)n2)c1OC"], "synonym": ["Lusutrombopag", "Lusutrombopag", "Lusutrombopag", "Lusutrombopag", "Lusutrombopag", "Lusutrombopag", "Lusutrombopag", "Lusutrombopag", "RSC888711", "S-888711", "Mulpleo (previously lusutrombopag shionogi)", "Mulpleta", "S-888711", "Lusutrombopag"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105748", "category": ["biolink:ChemicalEntity"], "name": "PRUCALOPRIDE SUCCINATE", "xref": ["InChIKey:QZRSNVSQLGRAID-UHFFFAOYSA-N", "SMILES:COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1.O=C(O)CCC(=O)O"], "synonym": ["Prucalopride succinate", "Prucalopride succinate", "Prucalopride (as succinate)", "Prucalopride succinate", "R-108512", "Motegrity", "Resolor", "Prucalopride succinate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3833319", "category": ["biolink:ChemicalEntity"], "name": "REVEFENACIN", "xref": ["InChIKey:FYDWDCIFZSGNBU-UHFFFAOYSA-N", "SMILES:CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1"], "synonym": ["Revefenacin", "Revefenacin", "Revefenacin", "Revefenacine", "Revefenacina", "Revefenacin", "Revefenacin", "GSK-1160724", "GSK1160724", "TD-4208", "Yupelri", "Revefenacin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301592", "category": ["biolink:ChemicalEntity"], "name": "SODIUM ZIRCONIUM CYCLOSILICATE", "synonym": ["Sodium zirconium cyclosilicate", "Sodium zirconium cyclosilicate", "Sodium zirconium cyclosilicate", "Sodium zirconium cyclosilicate", "Sodium zirconium cyclosilicate", "UXSi-9", "ZS", "ZS-9", "Lokelma", "Sodium zirconium cyclosilicate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989919", "category": ["biolink:ChemicalEntity"], "name": "FOSNETUPITANT CHLORIDE HYDROCHLORIDE", "xref": ["InChIKey:LBTQUZNIWCWBNN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)(O)O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.[Cl-]"], "synonym": ["Fosnetupitant chloride hydrochloride", "Fosnetupitant dihydrochloride", "08-PNET", "Fosnetupitant chloride hydrochloride component of akynzeo", "Fosnetupitant chloride hydrochloride component of akynzeo for injection", "Fosnetupitant chloride", "Fosnetupitant chloride hydrochloride"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297536", "category": ["biolink:ChemicalEntity"], "name": "PATISIRAN SODIUM", "synonym": ["Patisiran sodium", "Patisiran sodium", "Onpattro"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4296221", "category": ["biolink:NucleicAcidEntity"], "name": "Transthyretin mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297503", "category": ["biolink:ChemicalEntity"], "name": "BALOXAVIR MARBOXIL", "xref": ["InChIKey:RZVPBGBYGMDSBG-GGAORHGYSA-N", "SMILES:COC(=O)OCOc1c2n(ccc1=O)N([C@@H]1c3ccccc3SCc3c1ccc(F)c3F)[C@@H]1COCCN1C2=O"], "synonym": ["Baloxavir marboxil", "Baloxavir marboxil", "Baloxavir marboxil", "Baloxavir marboxil", "Baloxavir marboxil", "Baloxavir marboxil", "S-033188", "Xofluza", "Baloxavir marboxil"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"name": "Polymerase acidic protein", "xref": ["CHEMBL.TARGET:CHEMBL1169598"], "id": "UniProtKB:P03433", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:211044"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297573", "category": ["biolink:ChemicalEntity"], "name": "TAGRAXOFUSP", "synonym": ["Tagraxofusp", "Tagraxofusp", "Tagraxofusp-erzs", "Tagraxofusp", "Tagraxofusp", "Sl-401", "Tagraxofusp", "Tagraxofusp erzs", "DT-3881L3", "DT388IL3", "MOLECULE-129", "Molecule 129", "SL-401", "Elzonris", "Tagraxofusp"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989986", "category": ["biolink:ChemicalEntity"], "name": "RAVULIZUMAB", "synonym": ["Ravulizumab", "Ravulizumab", "Ravulizumab-cwvz", "Ravulizumab", "Ravulizumab", "Ravulizumab", "Ravulizumab cwvz", "ALXN-1210", "ALXN1210", "Ultomiris", "Ravulizumab"], "chembl_black_box_warning": "True"}
{"name": "Polymerase acidic protein", "xref": ["CHEMBL.TARGET:CHEMBL2028641"], "id": "UniProtKB:Q9QLI9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:518987"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207538", "category": ["biolink:ChemicalEntity"], "name": "BREXANOLONE", "xref": ["InChIKey:AURFZBICLPNKBZ-SYBPFIFISA-N", "SMILES:CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Brexanolone", "Brexanolone", "Brexanolone", "Brexanolona", "Allopregnan-3.alpha.-ol-20-one", "Allopregnanolone", "Allotetrahydroprogesterone", "Brexanolone", "SAGE-547", "SGE-102", "Zulresso", "Brexanolone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1788132", "category": ["biolink:ChemicalEntity"], "name": "LOFEXIDINE HYDROCHLORIDE", "xref": ["InChIKey:DWWHMKBNNNZGHF-UHFFFAOYSA-N", "SMILES:CC(Oc1c(Cl)cccc1Cl)C1=NCCN1.Cl"], "synonym": ["Lofexidine hydrochloride", "Lofexidine hydrochloride", "Lofexidine hydrochloride", "Lofexidine hcl", "Lofexidine hydrochloride", "MDL 14,042", "MDL-14042", "NSC-759654", "Britlofex", "Lucemyra", "Lofexidine hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3990026", "category": ["biolink:ChemicalEntity"], "name": "ELAPEGADEMASE", "synonym": ["Elapegademase", "Elapegademase-lvlr", "Elapegademase", "Elapegademasa", "Elapegademase", "Elapegademase lvlr", "EZN-2279", "EZN2279", "Revcovi", "Elapegademase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286830", "category": ["biolink:ChemicalEntity"], "name": "LORLATINIB", "xref": ["InChIKey:IIXWYSCJSQVBQM-LLVKDONJSA-N", "SMILES:C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21"], "synonym": ["Lorlatinib", "Lorlatinib", "Lorlatinib", "Lorlatinib", "Lorlatinib", "Lorlatinib", "PF-06463922", "Lorbrena", "Lorviqua", "Lorlatinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297852", "category": ["biolink:ChemicalEntity"], "name": "CENEGERMIN", "synonym": ["Cenegermin", "Cenegermin", "Recombinant human nerve growth factor", "Cenegermin-bkbj", "Cenegermin", "Cenegermin", "Cenegermin bkbj", "Rhngf", "Oxervate"]}
{"name": "EML4-ALK", "id": "CHEMBL.TARGET:CHEMBL3883330", "category": ["biolink:Protein"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2219414", "category": ["biolink:ChemicalEntity"], "name": "ERAVACYCLINE DIHYDROCHLORIDE", "xref": ["InChIKey:JYCNMRVZELJVAW-RZVFYPHASA-N", "SMILES:CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12.Cl.Cl"], "synonym": ["Eravacycline dihydrochloride", "TP-434-046", "TP434046", "Xerava", "Eravacycline dihydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315121", "category": ["biolink:ChemicalEntity"], "name": "TECOVIRIMAT MONOHYDRATE", "xref": ["InChIKey:QRHXYGPOQKLBJP-NPIFKJBVSA-N", "SMILES:O.O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C1=O)c1ccc(C(F)(F)F)cc1"], "synonym": ["Tecovirimat monohydrate", "Tecovirimat monohydrate", "ST-246 MONOHYDRATE", "Tecovirimat siga"], "chembl_availability_type": "prescription only"}
{"name": "Envelope phospholipase OPG057", "xref": ["CHEMBL.TARGET:CHEMBL5308522"], "id": "UniProtKB:P33815", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:587200"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105680", "category": ["biolink:ChemicalEntity"], "name": "RIFAMYCIN SODIUM", "xref": ["InChIKey:YVOFSHPIJOYKSH-NLYBMVFSSA-M", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.[Na+]"], "synonym": ["Rifamycin", "Rifamycin sodium", "Rifamycin sv sodium salt", "Rifamastene", "Rifamycin sv sodium salt", "CB-01-11", "CB-0111", "RIFAMYCIN SV", "Aemcolo", "Rifamycin sodium"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL4296169", "category": ["biolink:MacromolecularComplex"], "name": "DNA-directed RNA polymerase"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545376", "category": ["biolink:ChemicalEntity"], "name": "ERDAFITINIB", "xref": ["InChIKey:OLAHOMJCDNXHFI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1"], "synonym": ["Erdafitinib", "Erdafitinib", "Erdafitinib", "Erdafitinib", "Jnj-42756493", "JNJ-42756493", "Balversa", "Erdafitinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3990029", "category": ["biolink:ChemicalEntity"], "name": "RISANKIZUMAB", "synonym": ["Risankizumab", "Risankizumab", "Risankizumab-rzaa", "Risankizumab", "Risankizumab", "Bi-655066", "Risankizumab", "Risankizumab rzaa", "655066-01", "ABBV-066", "BI655066", "Skyrizi", "Risankizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298150", "category": ["biolink:ChemicalEntity"], "name": "SIPONIMOD FUMARIC ACID", "xref": ["InChIKey:JNLIKIBISICTMS-PEJBKAKVSA-N", "SMILES:CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1.CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1.O=C(O)/C=C/C(=O)O"], "synonym": ["Siponimod fumaric acid", "Siponimod fumarate", "Siponimod hemifumarate", "Siponimod hemifumaric acid", "NVP-BAF312-AEA", "Mayzent", "Siponimod fumarate", "Siponimod fumaric acid"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297229", "category": ["biolink:ChemicalEntity"], "name": "PRABOTULINUMTOXIN A", "synonym": ["Prabotulinumtoxina-xvfs", "Botulinum toxin type a complex", "Prabotulinumtoxin a", "Prabotulinumtoxina", "Prabotulinumtoxina xvfs", "ABP 450", "ABP-450", "ABP450", "DWP-450", "DWP450", "Evosyal", "Jeuveau", "Nabota", "Prabotulinumtoxin a"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989867", "category": ["biolink:ChemicalEntity"], "name": "BICTEGRAVIR SODIUM", "xref": ["InChIKey:WJNFBIVCQMPPJC-FQYDJHLKSA-M", "SMILES:O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c([O-])c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2.[Na+]"], "synonym": ["Bictegravir sodium", "Bictegravir sodium", "GS-9883", "GS-9883 SODIUM", "GS-9883-01", "GS-9883-01 SODIUM", "Bictegravir sodium component of biktarvy", "Bictegravir sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989939", "category": ["biolink:ChemicalEntity"], "name": "LAROTRECTINIB SULFATE", "xref": ["InChIKey:PXHANKVTFWSDSG-QLOBERJESA-N", "SMILES:O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O"], "synonym": ["Larotrectinib sulfate", "Larotrectinib sulfate", "Larotrectinib sulfate", "ARRY-470 SULFATE", "LOXO-101 sulfate", "Vitrakvi", "Larotrectinib sulfate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297533", "category": ["biolink:ChemicalEntity"], "name": "BREMELANOTIDE ACETATE", "xref": ["InChIKey:MAYUSRUHXFWITM-GBRHMYBBSA-N", "SMILES:CC(=O)O.CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"], "synonym": ["Bremelanotide acetate", "Vyleesi", "PT 141", "PT-141", "Vyleesi (autoinjector)", "Bremelanotide acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989973", "category": ["biolink:ChemicalEntity"], "name": "PEXIDARTINIB HYDROCHLORIDE", "xref": ["InChIKey:CJLUYLRKLUYCEK-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1"], "synonym": ["Pexidartinib hydrochloride", "FP-113", "PLX-3397 HCL", "PLX-3397 HYDROCHLORIDE", "PLX3397 HCl", "PLX3397 HYDROCHLORIDE", "Turalio", "Pexidartinib hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301605", "category": ["biolink:ChemicalEntity"], "name": "RELEBACTAM", "xref": ["InChIKey:TWFRCSHLWKJBQH-UXQCFNEQSA-N", "SMILES:O.O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O"], "synonym": ["Relebactam", "Relebactam", "Relebactam hydrate", "(-)-relebactam monohydrate", "Relebactam", "Relebactam monohydrate", "MK-7655 MONOHYDRATE", "Relebactam component of mk-7655a", "Relebactam component of recarbrio", "Relebactam component of recarbrio   monohydrate", "Relebactam"], "chembl_availability_type": "prescription only"}
{"name": "Beta-lactamase SHV-1", "xref": ["CHEMBL.TARGET:CHEMBL5094"], "id": "UniProtKB:P0AD64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:573"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107355", "category": ["biolink:ChemicalEntity"], "name": "MIGALASTAT HYDROCHLORIDE", "xref": ["InChIKey:ZJIHMALTJRDNQI-OLALXQGDSA-N", "SMILES:Cl.OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O"], "synonym": ["Migalastat hydrochloride", "Migalastat hydrochloride", "Migalastat hydrochloride", "Migalastat hydrochloride", "Migalastat hcl", "Migalastat hydrochloride", "AT-1001 (MIGALASTAT HYDROCHLORIDE)", "Galafold", "Migalastat hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103854", "category": ["biolink:ChemicalEntity"], "name": "OMADACYCLINE TOSYLATE", "xref": ["InChIKey:SETFNHZTVGTBHC-XGLFQKEBSA-N", "SMILES:CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cc1ccc(S(=O)(=O)O)cc1"], "synonym": ["Omadacycline tosylate", "Omadacycline tosylate", "Omadacycline tosilate", "Omadacycline tosylate", "PTK 0796", "PTK-0796", "Nuzyra", "Omadacycline tosylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2364623", "category": ["biolink:ChemicalEntity"], "name": "PLAZOMICIN SULFATE", "xref": ["InChIKey:SFTBRKHJMASSAP-BGJNVEJLSA-N", "SMILES:CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O.O=S(=O)(O)O"], "synonym": ["Plazomicin sulfate", "Plazomicin hemipentasulfate", "ACHN-490", "ACHN-490 SULFATE", "Zemdri", "Plazomicin sulfate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707377", "category": ["biolink:ChemicalEntity"], "name": "SEGESTERONE ACETATE", "xref": ["InChIKey:CKFBRGLGTWAVLG-GOMYTPFNSA-N", "SMILES:C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O"], "synonym": ["Segesterone acetate", "Elcometrine", "Segesterone acetate", "ST-1435", "Nestorone", "Segesterone acetate component of annovera", "Segesterone acetate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297537", "category": ["biolink:ChemicalEntity"], "name": "INOTERSEN SODIUM", "synonym": ["Inotersen sodium", "Inotersen sodium", "ISIS 420915 SODIUM", "ISIS-420915 SODIUM", "ISIS-420915 SODIUM SALT", "Tegsedi"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297723", "category": ["biolink:ChemicalEntity"], "name": "CEMIPLIMAB", "synonym": ["Cemiplimab", "Cemiplimab", "Cemiplimab-rwlc", "Cemiplimab", "Cemiplimab", "Cemiplimab", "Cemiplimab rwlc", "Regn2810", "REGN-2810", "REGN2810", "Libtayo", "Cemiplimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297756", "category": ["biolink:ChemicalEntity"], "name": "FREMANEZUMAB", "synonym": ["Fremanezumab", "Fremanezumab", "Fremanezumab-vfrm", "Fremanezumab", "Fremanezumab", "Fremanezumab", "Fremanezumab vfrm", "Tev-48125", "LBR-101", "LBR101", "PF-04472429", "PF04472429", "RN-307", "RN307", "TEV-48125", "TEV48125", "Ajovy", "Fremanezumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297802", "category": ["biolink:ChemicalEntity"], "name": "PEGVALIASE", "synonym": ["Pegvaliase", "Pegvaliase", "Pegvaliase-pqpz", "Pegvaliase", "Pegvaliasa", "Bmn 165", "Peg pal", "Pegvaliase", "Pegvaliase pqpz", "Phenylase", "BMN 165", "BMN-165", "Palynziq"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.TARGET:CHEMBL4296171", "category": ["biolink:SmallMolecule"], "name": "Phenylalanine"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989977", "category": ["biolink:ChemicalEntity"], "name": "EMAPALUMAB", "synonym": ["Emapalumab", "Emapalumab-lzsg", "Emapalumab", "Emapalumab", "Emapalumab lzsg", "NI-0501", "Gamifant", "Emapalumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108728", "category": ["biolink:ChemicalEntity"], "name": "CALASPARGASE PEGOL", "synonym": ["Calaspargase pegol", "Calaspargase pegol-mknl", "Calaspargase pegol", "Calaspargasa pegol", "Calaspargase pegol", "Calaspargase pegol mknl", "EZN-2285", "Asparlas", "Calaspargase pegol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502182", "category": ["biolink:ChemicalEntity"], "name": "ELAGOLIX SODIUM", "xref": ["InChIKey:DQYGXRQUFSRDCH-UQIIZPHYSA-M", "SMILES:COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)[O-])c3ccccc3)c2=O)c1F.[Na+]"], "synonym": ["Elagolix sodium", "Elagolix sodium salt", "Elagolix sodium", "Orlissa", "NBI-56418 NA", "NBI-56418-NA", "Elagolix sodium component of oriahnn", "Orilissa", "Elagolix sodium"], "chembl_availability_type": "prescription only"}
{"name": "Beta-lactamase", "xref": ["CHEMBL.TARGET:CHEMBL5031"], "id": "UniProtKB:P24735", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Beta-lactamase", "xref": ["CHEMBL.TARGET:CHEMBL2725"], "id": "UniProtKB:P05364", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:550"]}
{"name": "Carbapenem-hydrolyzing beta-lactamase KPC", "xref": ["CHEMBL.TARGET:CHEMBL3562180"], "id": "UniProtKB:Q848S6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:571"]}
{"name": "Beta-lactamase CTX-M", "synonym": ["Beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL6131"], "id": "UniProtKB:Q9EXV5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2096646", "category": ["biolink:ChemicalEntity"], "name": "AMINOSALICYLATE SODIUM", "xref": ["InChIKey:GMUQJDAYXZXBOT-UHFFFAOYSA-M", "SMILES:Nc1ccc(C(=O)[O-])c(O)c1.O.O.[Na+]"], "synonym": ["Sodium aminosalicylate", "Aminosalicylate sodium", "Aminacyl", "Aminosalicylate sodium", "Aminosalyle sodium", "Nemasol sodium", "Para-aminosodium salicylate", "Paramisan sodium", "Pas-c", "Pasalon", "NSC-755862", "P.a.s. sodium", "Parasal sodium", "Sodium aminosalicylate", "Sodium p.a.s.", "Teebacin", "Aminosalicylate sodium"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200584", "category": ["biolink:ChemicalEntity"], "name": "AMINOSALICYLATE POTASSIUM", "xref": ["InChIKey:PRZJIMSXCLZGLT-UHFFFAOYSA-M", "SMILES:Nc1ccc(C(=O)[O-])c(O)c1.[K+]"], "synonym": ["Potassium aminosalicylate", "P-aminosalicylic acid potassium salt", "Paskalium", "Potassium aminosalicylate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3218576", "category": ["biolink:ChemicalEntity"], "name": "COPANLISIB", "xref": ["InChIKey:PZBCKZWLPGJMAO-UHFFFAOYSA-N", "SMILES:COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21"], "synonym": ["Copanlisib", "Copanlisib", "Copanlisib", "Bay-80-6946", "Copanlisib", "BAY 80-6946", "BAY-80-6946", "BAY80-6946", "Copanlisib"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2110732", "category": ["biolink:ChemicalEntity"], "name": "DACOMITINIB ANHYDROUS", "xref": ["InChIKey:LVXJQMNHJWSHET-AATRIKPKSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1"], "synonym": ["Dacomitinib anhydrous", "Pf-00299804"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989921", "category": ["biolink:ChemicalEntity"], "name": "NERATINIB MALEATE", "xref": ["InChIKey:VXZCUHNJXSIJIM-MEBGWEOYSA-N", "SMILES:CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C.O=C(O)/C=C\\C(=O)O"], "synonym": ["Neratinib maleate", "Neratinib maleate", "Neratinib maleate", "Neratinib maleate anhydrous", "Nerlynx"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989922", "category": ["biolink:ChemicalEntity"], "name": "NIRAPARIB TOSYLATE MONOHYDRATE", "xref": ["InChIKey:ACNPUCQQZDAPJH-FMOMHUKBSA-N", "SMILES:Cc1ccc(S(=O)(=O)O)cc1.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.O"], "synonym": ["Niraparib (tosilate monohydrate)", "Niraparib tosylate monohydrate", "Niraparib tosylate", "Niraparib tosilate hydrate", "Niraparib tosilate hydrate", "Niraparib tosylate", "Niraparib tosylate monohydrate", "GSK-3985771", "GSK3985771", "MK-4827", "MK-4827 TOSYLATE MONOHYDRATE", "Niraparib tosylate component of akeega", "Niraparib tosylate monohydrate component of akeega  niraparib tosylate", "Zejula", "Niraparib tosylate", "Niraparib tosylate monohydrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3581647", "category": ["biolink:ChemicalEntity"], "name": "BIRABRESIB", "xref": ["InChIKey:GNMUEVRJHCWKTO-FQEVSTJZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2"], "synonym": ["Birabresib", "Birabresib", "Y-803 anhydrous", "MK-8628", "OTX-015", "OTX-015 ANHYDROUS", "OTX015", "OTX015 ANHYDROUS", "Birabresib"]}
{"id": "CHEMBL.TARGET:CHEMBL4296614", "category": ["biolink:ProteinFamily"], "name": "Bromodomain and extra-terminal motif (BET)"}
{"id": "CHEMBL.COMPOUND:CHEMBL1232461", "category": ["biolink:ChemicalEntity"], "name": "MOLIBRESIB", "xref": ["InChIKey:AAAQFGUYHFJNHI-SFHVURJKSA-N", "SMILES:CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21"], "synonym": ["Molibresib", "Bet inhibitor gsk525762", "Molibresib", "GSK-525762", "GSK-525762A", "GSK525762", "GSK525762A", "I-BET 762", "Molibresib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085457", "category": ["biolink:ChemicalEntity"], "name": "RITLECITINIB", "xref": ["InChIKey:CBRJPFGIXUFMTM-WDEREUQCSA-N", "SMILES:C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C"], "synonym": ["Ritlecitinib", "Ritlecitinib", "Pf-06651600", "Ritlecitinib", "PF-06651600"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4296642", "category": ["biolink:ProteinFamily"], "name": "TEC family kinase"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297458", "category": ["biolink:ChemicalEntity"], "name": "EZOBRESIB", "xref": ["InChIKey:KGERZPVQIRYWRK-GDLZYMKVSA-N", "SMILES:Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"], "synonym": ["Ezobresib", "Ezobresib", "Ezobresib", "Bet inhibitor bms-986158", "Bms-986158", "Ezobresib", "BMS-986158", "Ezobresib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2393130", "category": ["biolink:ChemicalEntity"], "name": "APABETALONE", "xref": ["InChIKey:NETXMUIMUZJUTB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1"], "synonym": ["Apabetalone", "Apabetalona", "Apabetalone", "RVX-000222", "RVX-208", "RVX000222", "Apabetalone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297423", "category": ["biolink:ChemicalEntity"], "name": "RO-6870810", "xref": ["InChIKey:PKQXLRYFPSZKDU-QFIPXVFZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1nnc(C)n1-2"], "synonym": ["Bet inhibitor ro6870810", "Jq-35, (s)-", "Rg 6146", "Ro-6870810", "Ro6870810", "(S)-JQ35", "BET INHIBITOR TEN-010", "RO6870810"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297581", "category": ["biolink:ChemicalEntity"], "name": "TOMINERSEN", "synonym": ["Tominersen", "Ionis httrx", "Isis 443139", "Rg6042", "Ro7234292", "Tominersen", "ISIS-443139 FREE ACID", "RG-6042 FREE ACID", "RG6042", "RG6042 FREE ACID", "Tominersen"]}
{"id": "CHEMBL.TARGET:CHEMBL4296641", "category": ["biolink:NucleicAcidEntity"], "name": "Huntingtin mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL573677", "category": ["biolink:ChemicalEntity"], "name": "ABEQUOLIXRON", "xref": ["InChIKey:ZLJZDYOBXVOTSA-XMMPIXPASA-N", "SMILES:C[C@H](CCOc1cccc(CC(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1"], "synonym": ["Abequolixron", "Abequolixron", "Rgx-104", "RGX-104", "SB-742881", "Abequolixron"]}
{"id": "CHEMBL.TARGET:CHEMBL3706564", "category": ["biolink:ProteinFamily"], "name": "Liver X receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297760", "category": ["biolink:ChemicalEntity"], "name": "GIVOSIRAN", "synonym": ["Givosiran", "Givosiran", "Givosiran", "ALN-AS1", "Givosiran"]}
{"id": "CHEMBL.TARGET:CHEMBL4296741", "category": ["biolink:NucleicAcidEntity"], "name": "5-aminolevulinate synthase mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989949", "category": ["biolink:ChemicalEntity"], "name": "CENOBAMATE", "xref": ["InChIKey:GFHAXPJGXSQLPT-VIFPVBQESA-N", "SMILES:NC(=O)O[C@@H](Cn1ncnn1)c1ccccc1Cl"], "synonym": ["Cenobamate", "Cenobamate", "Cenobamate", "Cenobamate", "Cenobamato", "Cenobamate", "YKP-3089", "YKP3089", "Ontozry", "Xcopri", "Cenobamate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4101807", "category": ["biolink:ChemicalEntity"], "name": "VOXELOTOR", "xref": ["InChIKey:FWCVZAQENIZVMY-UHFFFAOYSA-N", "SMILES:CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O"], "synonym": ["Voxelotor", "Voxelotor", "Voxelotor", "Voxelotor", "Gbt440", "Voxelotor", "GBT-440", "GBT440", "GTX-011", "Oxbryta", "Voxelotor"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297213", "category": ["biolink:ChemicalEntity"], "name": "AFAMELANOTIDE ACETATE", "xref": ["InChIKey:LBIUKNXYUXOWFF-CRYSLBJVSA-N", "SMILES:CC(=O)O.CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C"], "synonym": ["Afamelanotide acetate", "A-melanotropin, 4(nle)-7(d-phe)", "Afamelanotide triacetate", "CUV-1647 ACETATE", "CUV1647 ACETATE", "Scenesse", "Afamelanotide acetate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707313", "category": ["biolink:ChemicalEntity"], "name": "TRIFAROTENE", "xref": ["InChIKey:MFBCDACCJCDGBA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1"], "synonym": ["Trifarotene", "Trifarotene", "Trifarotene", "Trifaroteno", "Trifarotene", "CD-5789", "CD5789", "Aklief", "Trifarotene"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039545", "category": ["biolink:ChemicalEntity"], "name": "LUSPATERCEPT", "synonym": ["Luspatercept", "Luspatercept", "Luspatercept-aamt", "Luspatercept", "Luspatercept", "Luspatercept aamt", "ACE-536", "Reblozyl", "Luspatercept"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL3988637", "category": ["biolink:ProteinFamily"], "name": "Transforming growth factor beta"}
{"id": "CHEMBL.COMPOUND:CHEMBL3545309", "category": ["biolink:ChemicalEntity"], "name": "LEFAMULIN ACETATE", "xref": ["InChIKey:WSMXIQXWHPSVDE-ZPJPNJFZSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H](N)C[C@H]2O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.CC(=O)O"], "synonym": ["Lefamulin acetate", "Lefamulin acetate", "BC-3781.Ac", "Xenleta", "Lefamulin acetate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3039526", "category": ["biolink:ChemicalEntity"], "name": "LASMIDITAN SUCCINATE", "xref": ["InChIKey:MSOIHUHNGPOCTH-UHFFFAOYSA-N", "SMILES:CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.O=C(O)CCC(=O)O"], "synonym": ["Lasmiditan succinate", "Lasmiditan succinate", "Lasmiditan hemisuccinate", "LY-573144", "LY-683974", "LY683974", "Rayvow", "Reyvow", "Lasmiditan succinate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989974", "category": ["biolink:ChemicalEntity"], "name": "CEFIDEROCOL", "xref": ["InChIKey:DBPPRLRVDVJOCL-FQRUVTKNSA-N", "SMILES:CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O"], "synonym": ["Cefiderocol", "Cefiderocol", "Cefiderocol", "GSK-2696266", "GSK2696266", "RSC-649266", "RSC649266", "S-649266", "S649266", "Cefiderocol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297216", "category": ["biolink:ChemicalEntity"], "name": "FEDRATINIB HYDROCHLORIDE", "xref": ["InChIKey:QAFZLTVOFJHYDF-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cl.Cl.O"], "synonym": ["Fedratinib dihydrochloride monohydrate", "Fedratinib hydrochloride", "Fedratinib hydrochloride", "Fedratinib hydrochloride monohydrate", "SAR302503A", "Inrebic", "Fedratinib hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297734", "category": ["biolink:ChemicalEntity"], "name": "CRIZANLIZUMAB", "synonym": ["Crizanlizumab", "Crizanlizumab", "Crizanlizumab-tmca", "Crizanlizumab", "Crizanlizumab", "Crizanlizumab tmca", "Selg1", "NVP-LXI-262", "NVP-LXI262", "SEG-101", "SEG101", "SEL-G1", "SelG1", "Adakveo", "Crizanlizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1983268", "category": ["biolink:ChemicalEntity"], "name": "ENTRECTINIB", "xref": ["InChIKey:HAYYBYPASCDWEQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1"], "synonym": ["Entrectinib", "Entrectinib", "Entrectinib", "Entrectinib", "Entrectinib", "Rxdx-101", "NMS-E628", "RXDX-101", "Rozlytrek", "Entrectinib"], "chembl_availability_type": "prescription only"}
{"name": "Proto-oncogene tyrosine-protein kinase ROS", "xref": ["CHEMBL.TARGET:CHEMBL5568"], "id": "UniProtKB:P08922", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298128", "category": ["biolink:ChemicalEntity"], "name": "ELEXACAFTOR", "xref": ["InChIKey:MVRHVFSOIWFBTE-INIZCTEOSA-N", "SMILES:Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1C[C@@H](C)CC1(C)C"], "synonym": ["Elexacaftor", "Elexacaftor", "Elexacaftor", "Vx-445", "3-PYRIDINECARBOXAMIDE, N-((1,3-DIMETHYL-1H-PYRAZOL-4-YL)SULFONYL)-6-(3-(3,3,3-TRIFLUORO-2,2-DIMETHYLPROPOXY)-1H-PYRAZOL-1-YL)-2-((4S)-2,2,4-TRIMETHYL-1-PYRROLIDINYL)-", "VX-445", "Elexacaftor component of trikafta", "Elexacaftor"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3936761", "category": ["biolink:ChemicalEntity"], "name": "ZANUBRUTINIB", "xref": ["InChIKey:RNOAOAWBMHREKO-QFIPXVFZSA-N", "SMILES:C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1"], "synonym": ["Zanubrutinib", "Zanubrutinib", "Zanubrutinib", "Zanubrutinib", "Bgb-3111", "Zanubrutinib", "BGB-3111", "Brukinsa", "Zanubrutinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4164059", "category": ["biolink:ChemicalEntity"], "name": "PITOLISANT HYDROCHLORIDE", "xref": ["InChIKey:XLFKECRRMPOAQS-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc(CCCOCCCN2CCCCC2)cc1"], "synonym": ["Pitolisant hydrochloride", "Pitolisant hydrochloride", "Pitolisant hydrochloride", "Ciproxidine", "BF-2649 HYDROCHLORIDE", "Ozawade", "Wakix", "Pitolisant hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297762", "category": ["biolink:ChemicalEntity"], "name": "GOLODIRSEN", "synonym": ["Golodirsen", "Golodirsen", "Golodirsen", "Golodirsen", "NG-12-0163", "SRP-4053", "Vyondys 53", "Golodirsen"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707393", "category": ["biolink:ChemicalEntity"], "name": "OSILODROSTAT PHOSPHATE", "xref": ["InChIKey:FMCPYRDGUZBOJZ-BTQNPOSSSA-N", "SMILES:N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1.O=P(O)(O)O"], "synonym": ["Osilodrostat phosphate", "Osilodrostat phosphate", "LCI699-AZA", "Isturisa", "Osilodrostat phosphate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707246", "category": ["biolink:ChemicalEntity"], "name": "OZANIMOD HYDROCHLORIDE", "xref": ["InChIKey:HAOOCAKHSFYDBU-BDQAORGHSA-N", "SMILES:CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N.Cl"], "synonym": ["Ozanimod hydrochloride", "Ozanimod hydrochloride", "RPC-1063 HCL", "RPC-1063 HYDROCHLORIDE", "RPC1063 HCL", "RPC1063 HYDROCHLORIDE", "Zeposia", "Ozanimod hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237024", "category": ["biolink:ChemicalEntity"], "name": "SIPULEUCEL-T", "synonym": ["Sipuleucel-t", "Sipuleucel-t", "Sipuleucel-t", "APC-8015", "APC8015", "Sipuleucel-t"]}
{"name": "Prostatic acid phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL2633"], "id": "UniProtKB:P15309", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989989", "category": ["biolink:ChemicalEntity"], "name": "AXICABTAGENE CILOLEUCEL", "synonym": ["Axicabtagene ciloleucel", "Axicabtagene ciloleucel", "Axicabtagene ciloleucel", "Axicabtagen ciloleucel", "Axicabtagene ciloleucel", "Yescarta", "KTE-C19", "Yescarta", "Axicabtagene ciloleucel"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297240", "category": ["biolink:ChemicalEntity"], "name": "ONASEMNOGENE ABEPARVOVEC", "synonym": ["Onasemnogene abeparvovec", "Onasemnogene abeparvovec", "Onasemnogene abeparvovec", "Onasemnogen abeparvovec", "Onasemnogene abeparvovec", "Zolgensma", "AVXS-101", "Zolgensma", "Onasemnogene abeparvovec"]}
{"name": "Survival motor neuron protein", "xref": ["CHEMBL.TARGET:CHEMBL1293232"], "id": "UniProtKB:Q16637", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297717", "category": ["biolink:ChemicalEntity"], "name": "CD24FC", "synonym": ["Efprezimod alfa", "Cd24fc", "Cd24igg1fc", "Saccovid", "CD24-FC", "MK-7110"]}
{"id": "CHEMBL.TARGET:CHEMBL3885585", "category": ["biolink:ProteinFamily"], "name": "Heat shock 70 kDa protein 1A/1B"}
{"name": "High mobility group protein B1", "xref": ["CHEMBL.TARGET:CHEMBL2311236"], "id": "UniProtKB:P09429", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sialic acid-binding Ig-like lectin 10", "xref": ["CHEMBL.TARGET:CHEMBL4303061"], "id": "UniProtKB:Q96LC7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651956", "category": ["biolink:ChemicalEntity"], "name": "ALISPORIVIR", "xref": ["InChIKey:OLROWHGDTNFZBH-XEMWPYQTSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(CC)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "synonym": ["Alisporivir", "(d-meala)3-(etval)4-csa", "Alisporivir", "DEB 025", "DEB-025", "DEB025", "DEBIO 025", "DEBIO-025", "DEBIO025", "UNIL 025", "UNIL-025", "UNIL025", "Alisporivir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL294029", "category": ["biolink:ChemicalEntity"], "name": "RAVUCONAZOLE", "xref": ["InChIKey:OPAHEYNNJWPQPX-RCDICMHDSA-N", "SMILES:C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"], "synonym": ["Ravuconazole", "Ravuconazol", "Ravuconazole", "Ravuconazole", "BMS-207147", "ER-30346"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545313", "category": ["biolink:ChemicalEntity"], "name": "BEMPEDOIC ACID", "xref": ["InChIKey:HYHMLYSLQUKXKP-UHFFFAOYSA-N", "SMILES:CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O"], "synonym": ["Bempedoic acid", "Bempedoic acid", "Bempedoic acid", "Bempedoic acid", "Acide bempedoique", "Acido bempedoico", "Bempedoic acid", "ESP-55016", "ETC-1002", "ETC1002", "Bempedoic acid component of nexlizet", "Nexletol", "Nilemdo", "Bempedoic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "ATP-citrate synthase", "xref": ["CHEMBL.TARGET:CHEMBL3720"], "id": "UniProtKB:P53396", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065616", "category": ["biolink:ChemicalEntity"], "name": "REMDESIVIR", "xref": ["InChIKey:RWWYLEGWBNMMLJ-YSOARWBDSA-N", "SMILES:CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1"], "synonym": ["Remdesivir", "Remdesivir", "Remdesivir", "Remdesivir", "Gs-5734", "Remdesivir", "GS 5734", "GS-5734", "Veklury", "Remdesivir"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "RNA-directed RNA polymerase L", "xref": ["CHEMBL.TARGET:CHEMBL4303062"], "id": "UniProtKB:Q05318", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:128952"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204794", "category": ["biolink:ChemicalEntity"], "name": "AVAPRITINIB", "xref": ["InChIKey:DWYRIWUZIJHQKQ-SANMLTNESA-N", "SMILES:Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1"], "synonym": ["Avapritinib", "Avapritinib", "Avapritinib", "Avapritinib", "Avapritinib", "70C366", "BLU-285", "C-366", "X-720776", "X720776", "Ayvakit", "Ayvakyt", "Avapritinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594260", "category": ["biolink:ChemicalEntity"], "name": "TAZEMETOSTAT HYDROBROMIDE", "xref": ["InChIKey:UQRICAQPWZSJNF-UHFFFAOYSA-N", "SMILES:Br.CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"], "synonym": ["Tazemetostat hydrobromide", "Tazemetostat hydrobromide", "Tazemetostat monohydrobromide", "E-7438 HYDROBROMIDE", "EPZ-6438 HYDROBROMIDE", "EPZ-6438 MONOHYDROBROMIDE", "EZ-438", "EZ438", "Tazverik", "Tazemetostat hydrobromide"], "chembl_availability_type": "prescription only"}
{"name": "Histone-lysine N-methyltransferase EZH2", "xref": ["CHEMBL.TARGET:CHEMBL2189110"], "id": "UniProtKB:Q15910", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364629", "category": ["biolink:ChemicalEntity"], "name": "RIMEGEPANT SULFATE", "xref": ["InChIKey:SOGUOEZRYKUOHR-CQZKMDJHSA-N", "SMILES:N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.O.O.O.O=S(=O)(O)O"], "synonym": ["Rimegepant sulfate", "Rimegepant sulfate", "Rimegepant hemisulfate sesquihydrate", "Nurtec odt", "Vydura", "Rimegepant sulfate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297844", "category": ["biolink:ChemicalEntity"], "name": "TRASTUZUMAB DERUXTECAN", "synonym": ["Trastuzumab deruxtecan", "Trastuzumab deruxtecan", "Fam-trastuzumab deruxtecan-nxki", "Trastuzumab deruxtecan", "Ds-8201a", "Trastuzumab deruxtecan", "Trastuzumab deruxtecan nxki", "Trastuzumab deruxtecan-nxki", "DS-8201", "DS-8201a", "Enhertu", "Trastuzumab deruxtecan"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301574", "category": ["biolink:ChemicalEntity"], "name": "TISAGENLECLEUCEL", "synonym": ["Tisagenlecleucel", "Tisagenlecleucel", "Tisagenlecleucel", "Car.cd19-redirected t cells", "Kymriah", "Tisagenlecleucel", "Tisagenlecleucel-t", "CART-19", "CART19", "CTL-019", "CTL019", "Kymriah", "Tisagenlecleucel", "Tisagenlecleucel-t"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707275", "category": ["biolink:ChemicalEntity"], "name": "VORETIGENE NEPARVOVEC", "synonym": ["Voretigene neparvovec", "Voretigene neparvovec", "Voretigene neparvovec", "Voretigen neparvovec", "Luxturna", "Voretigene neparvovec", "Voretigene neparvovec rzyl", "Voretigene neparvovec-rzyl", "AAV-2-HRPE65V2", "AAV2-hRPE65v2", "SPK-RPE65", "Luxturna", "Voretigene neparvovec"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1523964", "category": ["biolink:ChemicalEntity"], "name": "EPHEDRINE SULFATE", "xref": ["InChIKey:CAVQBDOACNULDN-KHFUBBAMSA-N", "SMILES:CN[C@@H](C)[C@H](O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.O=S(=O)(O)O"], "synonym": ["Ephedrine sulfate", "Ephedrine sulfate", "Ephedrini sulfas", "Akovaz", "Corphedra", "Emerphed", "Expansyl", "Franol plus", "Franol-plus", "Isofedrol"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL70663", "category": ["biolink:ChemicalEntity"], "name": "DAPIVIRINE", "xref": ["InChIKey:ILAYIAGXTHKHNT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1"], "synonym": ["Dapivirine", "Dapivirine", "Dapivirina", "Dapivirine", "Gel-02", "Tmc120", "AIDS-105293", "R-147681", "TMC-120", "Dapivirine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL551978", "category": ["biolink:ChemicalEntity"], "name": "DROTAVERINE", "xref": ["InChIKey:OMFNSKIUKYOYRG-MOSHPQCFSA-N", "SMILES:CCOc1ccc(/C=C2\\NCCc3cc(OCC)c(OCC)cc32)cc1OCC"], "synonym": ["Drotaverine", "Drotaverine", "Drotaverina", "Drotaverine", "Drotaverin", "Drotaverine", "Drotin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3188386", "category": ["biolink:ChemicalEntity"], "name": "WNT-974", "xref": ["InChIKey:XXYGTCZJJLTAGH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1"], "synonym": ["Lgk974", "Wnt-974", "Wnt974", "LGK-974", "LGK974", "WNT-974", "WNT974"], "chembl_natural_product": true}
{"name": "Protein-serine O-palmitoleoyltransferase porcupine", "xref": ["CHEMBL.TARGET:CHEMBL1255163"], "id": "UniProtKB:Q9H237", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297884", "category": ["biolink:ChemicalEntity"], "name": "CILUPREVIR", "xref": ["InChIKey:PJZPDFUUXKKDNB-KNINVFKUSA-N", "SMILES:COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1"], "synonym": ["Ciluprevir", "Ciluprevir", "BILN 2061 ZW", "BILN-2061", "BILN-2061-ZW", "Ciluprevir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105750", "category": ["biolink:ChemicalEntity"], "name": "SOVAPREVIR", "xref": ["InChIKey:MHFMTUBUVQZIRE-WINRQGAFSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)N1CCCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1"], "synonym": ["Sovaprevir", "Sovaprevir", "ACH-0141625", "Sovaprevir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2013174", "category": ["biolink:ChemicalEntity"], "name": "VEDROPREVIR", "xref": ["InChIKey:OTXAMWFYPMNDME-FQQWJMKMSA-N", "SMILES:CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)O"], "synonym": ["Vedroprevir", "Vedroprevir", "GS-9451", "Vedroprevir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297647", "category": ["biolink:ChemicalEntity"], "name": "FURAPREVIR", "xref": ["InChIKey:GZRNOYTVBWWFLJ-NTPALUMKSA-N", "SMILES:CC(C)Oc1ccc(-c2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3oc4ccccc4c3n2)cc1"], "synonym": ["Furaprevir", "Furaprevir", "Tg-2349", "TG-2349"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1255891", "category": ["biolink:ChemicalEntity"], "name": "NARLAPREVIR", "xref": ["InChIKey:RICZEKWVNZFTNZ-LFGITCQGSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1"], "synonym": ["Narlaprevir", "Narlaprevir", "Narlaprevir", "SCH 900518", "SCH-900518", "Narlaprevir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105735", "category": ["biolink:ChemicalEntity"], "name": "ASUNAPREVIR", "xref": ["InChIKey:XRWSZZJLZRKHHD-WVWIJVSJSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1"], "synonym": ["Asunaprevir", "Asunaprevir", "Asunaprevir", "Asunaprevir", "Asunaprevir", "Sunvepra", "BMS 650032", "BMS-650032", "BMS650032", "Asunaprevir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525964", "category": ["biolink:ChemicalEntity"], "name": "VANIPREVIR", "xref": ["InChIKey:KUQWGLQLLVFLSM-ONAXAZCASA-N", "SMILES:CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1"], "synonym": ["Vaniprevir", "Vaniprevir", "Vaniprevir", "MK-7009", "MK7009", "Vaniprevir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL206031", "category": ["biolink:ChemicalEntity"], "name": "BRECANAVIR", "xref": ["InChIKey:JORVRJNILJXMMG-OLNQLETPSA-N", "SMILES:Cc1nc(COc2ccc(C[C@H](NC(=O)O[C@H]3CO[C@H]4OCC[C@H]43)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)cc2)cs1"], "synonym": ["Brecanavir", "Brecanavir", "GW-640385", "GW-640385X", "GW-64085X", "GW640385", "GW64085X", "Brecanavir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL322241", "category": ["biolink:ChemicalEntity"], "name": "TELINAVIR", "xref": ["InChIKey:ZILOOGIOHVCEKS-HZFUHODCSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C"], "synonym": ["Telinavir", "Telinavir", "NSC-670881", "SC-52151", "Telinavir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL258734", "category": ["biolink:ChemicalEntity"], "name": "DANOPREVIR", "xref": ["InChIKey:ZVTDLPBHTSMEJZ-JSZLBQEHSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O"], "synonym": ["Danoprevir", "Danoprevir", "R-05190591", "R05190591", "RO-5190591", "RO5190591", "RO5190591-000", "Danoprevir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214598", "category": ["biolink:ChemicalEntity"], "name": "UMIFENOVIR", "xref": ["InChIKey:KCFYEAOKVJSACF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12"], "synonym": ["Umifenovir", "Umifenovir", "Arbidol", "Umifenovir"], "chembl_natural_product": true}
{"name": "Hemagglutinin", "xref": ["CHEMBL.TARGET:CHEMBL3559640"], "id": "UniProtKB:B4URE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:382835"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1981592", "category": ["biolink:ChemicalEntity"], "name": "AVIPTADIL", "xref": ["InChIKey:VBUWHHLIZKOSMS-RIWXPGAOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O"], "synonym": ["Aviptadil", "Aviptadil", "Vip human vip", "Aviptadil", "Aviptadil acetate", "Samiairtm", "Samiviptm", "Samivirtm", "Zyesami", "Aviptadil"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297819", "category": ["biolink:ChemicalEntity"], "name": "ROPEGINTERFERON ALFA-2B", "synonym": ["Ropeginterferon alfa-2b", "Ropeginterferon alfa-2b", "Ropeginterferon alfa-2b-njft", "Ropeginterferon alfa-2b", "Aop2014", "Besremi", "P-1101", "P1101", "Ropeginterferon alfa-2b", "Ropeginterferon alfa-2b njft", "Ropeginterferon alfa-2b-njft", "Besremi"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL45", "category": ["biolink:ChemicalEntity"], "name": "MELATONIN", "xref": ["InChIKey:DRLFMBDRBRZALE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(C)=O)c2c1"], "synonym": ["Melatonin", "Melatonin", "Melatonin", "Melatonin", "5-methoxy n-acetyl-tryptamine", "Melatol", "Melatonin", "Melatonine", "Melovine", "Regulin", "Tartrol", "BCI-049", "J5.258B", "NSC-113928", "NSC-302012", "NSC-56423", "Circadin", "General nutrit", "Health aid", "Heidadouppi", "Icenia", "Life ext", "Melapure", "Melatonin neurim", "Natrol", "Nature's blend", "Natures bounty", "Quality health", "S.gard", "Slenyto", "Travelag", "Vespro", "Vytalonin", "Melatonin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL221692", "category": ["biolink:ChemicalEntity"], "name": "ADOPRAZINE", "xref": ["InChIKey:IUVSEUFHPNITEQ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1"], "synonym": ["Adoprazine", "Adoprazina", "Adoprazine", "SLV-313"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297643", "category": ["biolink:ChemicalEntity"], "name": "APILIMOD", "xref": ["InChIKey:HSKAZIJJKRAJAV-KOEQRZSOSA-N", "SMILES:Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1"], "synonym": ["Apilimod", "Apilimod", "Sta-5326", "STA 5326", "STA-5326"], "chembl_natural_product": true}
{"name": "1-phosphatidylinositol 3-phosphate 5-kinase", "xref": ["CHEMBL.TARGET:CHEMBL1938222"], "id": "UniProtKB:Q9Y2I7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25202", "category": ["biolink:ChemicalEntity"], "name": "TAMIBAROTENE", "xref": ["InChIKey:MUTNCGKQJGXKEM-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21"], "synonym": ["Tamibarotene", "Tamibaroteno", "Tamibarotene", "Tamibarotene", "Amnoid", "Sy-1425", "Tamibarotene", "AM-80", "Am80", "INNO-507", "NSC-608000", "OP-01", "RR-110", "SY-1425", "TM-411", "TOS-80T", "Tamibarotene"], "chembl_natural_product": true}
{"name": "Retinoic acid receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL2008"], "id": "UniProtKB:P10826", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4296719", "category": ["biolink:ChemicalEntity"], "name": "DUTOGLIPTIN", "xref": ["InChIKey:DVJAMEIQRSHVKC-BDAKNGLRSA-N", "SMILES:O=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O"], "synonym": ["Dutogliptin", "Dutogliptine", "Dutogliptina", "Dutogliptin", "Phx1149", "PHX1149", "Dutogliptin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3707235", "category": ["biolink:ChemicalEntity"], "name": "GEMIGLIPTIN", "xref": ["InChIKey:ZWPRRQZNBDYKLH-VIFPVBQESA-N", "SMILES:N[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)CN1CC(F)(F)CCC1=O"], "synonym": ["Gemigliptin", "Gemigliptin", "Gemigliptine", "Gemigliptina", "Gemigliptin", "LC-15-0444", "LC-150444", "LC15-0444"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361812", "category": ["biolink:ChemicalEntity"], "name": "RAMATROBAN", "xref": ["InChIKey:LDXDSHIEDAPSSA-OAHLLOKOSA-N", "SMILES:O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2"], "synonym": ["Ramatroban", "Ramatroban", "Ramatroban", "Baynas", "Ramatroban", "BAY-U-3405", "EN-137774"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297631", "category": ["biolink:ChemicalEntity"], "name": "TELRATOLIMOD", "xref": ["InChIKey:RRTPWQXEERTRRK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c(N)nc3ccccc3c21"], "synonym": ["Telratolimod", "Medi 9197", "Medi-9197", "Medi9197", "Telratolimod", "3M-052", "MEDI9197"]}
{"name": "Toll-like receptor 8", "xref": ["CHEMBL.TARGET:CHEMBL5805"], "id": "UniProtKB:Q9NR97", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL86304", "category": ["biolink:ChemicalEntity"], "name": "MOCLOBEMIDE", "xref": ["InChIKey:YHXISWVBGDMDLQ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc(Cl)cc1"], "synonym": ["Moclobemide", "Moclobemide", "Moclobemide", "Moclobemide", "Moclobemida", "Moclobemide", "Aurorix", "Moclobemide", "GNF-PF-695", "RO 11-1163/000", "RO-11-1163/000", "RO-111163000", "Manerix", "Moclobemide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL219916", "category": ["biolink:ChemicalEntity"], "name": "DOMPERIDONE", "xref": ["InChIKey:FGXWKSZFVQUSTL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1"], "synonym": ["Domperidone", "Domperidone", "Domperidone", "Domperidone", "Domperidona", "Domperidone", "Domperidone", "Domperidone", "NSC-299589", "NSC-759575", "R 33,812", "R-33812", "Domilium", "Evoxin", "Motilium", "Motilium 10", "Motilium instants", "Vivadone", "Domperidone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107308", "category": ["biolink:ChemicalEntity"], "name": "ACOTIAMIDE HYDROCHLORIDE", "xref": ["InChIKey:NPTDXIXCQCFGKC-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC.Cl.O.O.O"], "synonym": ["Acotiamide hydrochloride hydrate", "Acotiamide hydrochloride", "Acotiamide hydrochloride trihydrate", "Acotiamide hydrochloride", "Acotiamide hydrochloride hydrate", "Acotiamide hydrochloride trihydrate", "YM-443", "YM443", "Z-338", "Acotiamide hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767408", "category": ["biolink:ChemicalEntity"], "name": "DIQUAFOSOL TETRASODIUM", "xref": ["InChIKey:OWTGMPPCCUSXIP-FNXFGIETSA-J", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Diquafosol sodium", "Diquafosol tetrasodium salt", "Diquafosol sodium", "Diquafosol tetrasodium", "DE-089", "INS 365", "INS365", "KPY-998", "Diquafosol tetrasodium"], "chembl_natural_product": true}
{"name": "P2Y purinoceptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4315"], "id": "UniProtKB:P47900", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3181841", "category": ["biolink:ChemicalEntity"], "name": "RAMOSETRON HYDROCHLORIDE", "xref": ["InChIKey:XIXYTCLDXQRHJO-RFVHGSKJSA-N", "SMILES:Cl.Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21"], "synonym": ["Ramosetron hydrochloride", "Ramosetron hydrochloride", "(r)-(-)-ramosetron hydrochloride", "Irribow", "Ramosetron hydrochloride", "Ym060", "YM-060", "YM060"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92401", "category": ["biolink:ChemicalEntity"], "name": "IPRONIAZID", "xref": ["InChIKey:NYMGNSNKLVNMIA-UHFFFAOYSA-N", "SMILES:CC(C)NNC(=O)c1ccncc1"], "synonym": ["Iproniazide", "Iproniazid", "Iproniazid", "Iproniazide", "Iproniazida", "Marsilid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL9967", "category": ["biolink:ChemicalEntity"], "name": "PIRENZEPINE", "xref": ["InChIKey:RMHMFHUVIITRHF-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1"], "synonym": ["Pirenzepine", "Pirenzepine", "Pirenzepine", "Pirenzepina", "Pirenzepine", "Pirenzepine", "Wst-057", "350320", "9110700", "ACI-91", "Gastri p", "Gastrozepin", "Pirenzepine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL193482", "category": ["biolink:ChemicalEntity"], "name": "ESTRIOL", "xref": ["InChIKey:PROQIPRRNZUXQM-ZXXIGWHRSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O"], "synonym": ["Estriol", "Estriol", "Estriol", "Estriol", "Estriol succinate", "Succinate d'estriol", "Succinato de estriol", "Estriol", "Estriol acetate benzoate", "Estriol propionate", "Estriol", "16.alpha.,17.beta.-estriol", "Aacifemine", "Colpogyn", "Estriol", "Incurin", "Oestriol", "Trihydroxyestrin", "16.ALPHA.-HYDROXYESTRADIOL", "NSC-12169", "Gynest", "Incurin", "Ortho-gynest", "Ovestin", "Estriol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108593", "category": ["biolink:ChemicalEntity"], "name": "EPOETIN ZETA", "synonym": ["Epoetin zeta", "Epoetin zeta", "Epoetin zeta", "Epoetine zeta", "Epoetina dseta", "Epoetin zeta", "Retacrit", "Silapo"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109092", "category": ["biolink:ChemicalEntity"], "name": "EPOETIN BETA", "synonym": ["Epoetin beta", "Epoetin beta", "Epoetin beta", "Epoetin beta", "Epoetine beta", "Epoetina beta", "Epoetin beta", "Epoetin beta", "BM 06.019", "EPOCH", "Neorecormon", "Neorecormon 1000", "Neorecormon 10000", "Neorecormon 2000", "Neorecormon 20000", "Neorecormon 3000", "Neorecormon 30000", "Neorecormon 4000", "Neorecormon 500", "Neorecormon 5000", "Neorecormon 6000", "Recormon 1000", "Recormon 10000", "Recormon 2000", "Recormon 5000", "Recormon s 1000", "Recormon s 10000", "Recormon s 2000", "Recormon s 5000", "Epoetin beta"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109093", "category": ["biolink:ChemicalEntity"], "name": "EPOETIN DELTA", "synonym": ["Epoetin delta", "Epoetin delta", "Epoetin delta", "Epoetine delta", "Epoetina delta", "Epoetin delta", "GA-EPO", "HMR-4396", "HMR4396", "Dynepo", "Epoetin delta"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707314", "category": ["biolink:ChemicalEntity"], "name": "METHOXY POLYETHYLENE GLYCOL-EPOETIN BETA", "synonym": ["Methoxy polyethylene glycol-epoetin beta", "Methoxy polyethylene glycol-epoetin beta", "Methoxy polyethylene glycol-epoetin beta", "Methoxy polyethylene glycol-epoetin beta", "Pegzerepoetin alfa", "R-744", "R744", "Mircera"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201688", "category": ["biolink:ChemicalEntity"], "name": "FOMIVIRSEN", "synonym": ["Fomivirsen", "Fomivirsen", "Fomivirsen", "Fomivirsen", "Vitravene"]}
{"id": "CHEMBL.COMPOUND:CHEMBL58061", "category": ["biolink:ChemicalEntity"], "name": "CO-TRIMOXAZOLE", "xref": ["InChIKey:WZRJTRPJURQBRM-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1"], "synonym": ["Co-trimoxazole", "Co-trimoxazole"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147777", "category": ["biolink:ChemicalEntity"], "name": "TENELIGLIPTIN", "xref": ["InChIKey:WGRQANOPCQRCME-PMACEKPBSA-N", "SMILES:Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1"], "synonym": ["Teneligliptin", "Teneligliptin", "Teneligliptine", "Teneligliptina", "Teneligliptin", "Teneligliptin", "MP-513"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3183451", "category": ["biolink:ChemicalEntity"], "name": "GARENOXACIN MESYLATE", "xref": ["InChIKey:IGTHEWGRXUAFKF-NVJADKKVSA-N", "SMILES:CS(=O)(=O)O.C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21.O"], "synonym": ["Garenoxacin mesilate hydrate", "Garenoxacin methanesulfonate", "Garenoxacin methanesulfonate monohydrate", "Garenoxacin mesilate", "Garenoxacin mesilate hydrate", "Garenoxacin mesilate monohydrate", "Garenoxacin mesylate", "Garenoxacin mesylate anhydrous", "Garenoxacin methanesulfonate", "Geninax", "BMS-284756", "BMS-284756-01", "T-3811ME", "Garenoxacin mesylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297658", "category": ["biolink:ChemicalEntity"], "name": "IPRAGLIFLOZIN L-PROLINE", "xref": ["InChIKey:TUVGWWULBZIUBS-FVYIYGEMSA-N", "SMILES:O=C(O)[C@@H]1CCCN1.OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Ipragliflozin l-proline", "Ipragliflozin l-proline", "Ipragliflozin l-proline"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467058", "category": ["biolink:ChemicalEntity"], "name": "LANINAMIVIR OCTANOATE", "xref": ["InChIKey:UKTIJASCFRNWCB-RMIBSVFLSA-N", "SMILES:CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O"], "synonym": ["Laninamivir octanoic acid ester", "Cs-8958", "Laninamivir octanoate", "R-118958"], "chembl_prodrug": true, "chembl_natural_product": true}
{"name": "Neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL6135"], "id": "UniProtKB:B4URF0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:382835"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929396", "category": ["biolink:ChemicalEntity"], "name": "ANAGLIPTIN", "xref": ["InChIKey:LDXYBEHACFJIEL-HNNXBMFYSA-N", "SMILES:Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1"], "synonym": ["Anagliptin", "Anagliptine", "Anagliptina", "Anagliptin", "Anagliptin", "Sk-0403", "Suiny", "CWP-403", "SK-0403"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL247951", "category": ["biolink:ChemicalEntity"], "name": "PEMAFIBRATE", "xref": ["InChIKey:ZHKNLJLMDFQVHJ-RUZDIDTESA-N", "SMILES:CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O"], "synonym": ["Pemafibrate", "Pemafibrate", "Pemafibrato", "Pemafibrate", "Pemafibrate", "K-13675, (r)-", "Pemafibrate", "(R)-K-13675"]}
{"id": "CHEMBL.COMPOUND:CHEMBL435298", "category": ["biolink:ChemicalEntity"], "name": "ESFLURBIPROFEN", "xref": ["InChIKey:SYTBZMRGLBWNTM-JTQLQIEISA-N", "SMILES:C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1"], "synonym": ["Esflurbiprofen", "Esflurbiprofen", "Esflurbiprofene", "Esflurbiprofeno", "Esflurbiprofen", "Flurbiprofen, (s)-", "BTS 24332", "BTS-24332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521589", "category": ["biolink:ChemicalEntity"], "name": "BAMBUTEROL", "xref": ["InChIKey:ANZXOIAKUNOVQU-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1"], "synonym": ["Bambuterol", "Bambuterol", "Bambuterol"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL317094", "category": ["biolink:ChemicalEntity"], "name": "IMIDAPRIL", "xref": ["InChIKey:KLZWOWYOHUKJIG-BPUTZDHNSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O"], "synonym": ["Imidapril", "Imidapril hydrochloride", "Imidapril", "Imidapril", "Imidapril monohydrochloride", "Hipertene", "Imidapril", "Imidapril hcl", "Imidapril monohydrochloride", "TA 6366", "TA-6366", "Tanatril"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297625", "category": ["biolink:ChemicalEntity"], "name": "LICOGLIFLOZIN", "xref": ["InChIKey:XFJAMQQAAMJFGB-ZQGJOIPISA-N", "SMILES:CCc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2"], "synonym": ["Licogliflozin", "Licogliflozine", "Licogliflozina", "Licogliflozin", "Lik066", "LIK-066", "LIK066"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989969", "category": ["biolink:ChemicalEntity"], "name": "OPIGOLIX", "xref": ["InChIKey:CWNLBPBIFALUQD-GFCCVEGCSA-N", "SMILES:C[C@@H](O)C(=N)NS(=O)(=O)c1cc(C(=O)C(C(=O)c2cc(F)ccc2F)=C2Nc3ccccc3N2)ccc1F"], "synonym": ["Opigolix", "Opigolixum", "Opigolix", "ASP-1707", "ASP1707", "Opigolix"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91397", "category": ["biolink:ChemicalEntity"], "name": "RUPATADINE", "xref": ["InChIKey:WUZYKBABMWJHDL-UHFFFAOYSA-N", "SMILES:Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1"], "synonym": ["Rupatadine", "Rupatadine", "Rupatadina", "Rupatadine", "Rupatadine", "UR-12592"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL420762", "category": ["biolink:ChemicalEntity"], "name": "MOZAVAPTAN", "xref": ["InChIKey:WRNXUQJJCIZICJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1"], "synonym": ["Mozavaptan", "Mozavaptane"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178803", "category": ["biolink:ChemicalEntity"], "name": "BLONANSERIN", "xref": ["InChIKey:XVGOZDAJGBALKS-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1"], "synonym": ["Blonanserin", "Blonanserine", "Blonanserina", "Blonanserin", "Blonanserin", "Blonanserin", "AD-5423", "DSP-5423"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319144", "category": ["biolink:ChemicalEntity"], "name": "MINODRONIC ACID", "xref": ["InChIKey:VMMKGHQPQIEGSQ-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O"], "synonym": ["Minodronic acid", "Acide minodronique", "Acido minodronico", "Minodronic acid", "Minodronate", "Minodronic acid", "NSC-725590", "ONO-5920", "YM 529", "YM-529", "YM529"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL18116", "category": ["biolink:ChemicalEntity"], "name": "TOLOXATONE", "xref": ["InChIKey:MXUNKHLAEDCYJL-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CC(CO)OC2=O)c1"], "synonym": ["Toloxatone", "Toloxatone", "Toloxatona", "Humoryl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL305660", "category": ["biolink:ChemicalEntity"], "name": "EBASTINE", "xref": ["InChIKey:MJJALKDDGIKVBE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1"], "synonym": ["Ebastine", "Ebastine", "Ebastine", "Ebastina", "Ebastine", "Ebastine", "Ebastine", "LAS W-090", "LAS-W-090", "RP 64305", "RP-64305", "Ebastine", "Ebastine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL468419", "category": ["biolink:ChemicalEntity"], "name": "FADROZOLE HYDROCHLORIDE", "xref": ["InChIKey:UKCVAQGKEOJTSR-UHFFFAOYSA-N", "SMILES:Cl.N#Cc1ccc(C2CCCc3cncn32)cc1"], "synonym": ["Afema", "Fadrozole hcl", "Fadrozole hydrochloride", "CGS 16949A", "CGS-16949A", "Fadrozole hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL56337", "category": ["biolink:ChemicalEntity"], "name": "EPALRESTAT", "xref": ["InChIKey:CHNUOJQWGUIOLD-NFZZJPOKSA-N", "SMILES:CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1"], "synonym": ["Epalrestat", "Epalrestat", "Aldonil", "Aldorin", "Epalrestat", "Kinedak", "Tanglin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL19299", "category": ["biolink:ChemicalEntity"], "name": "LOXOPROFEN", "xref": ["InChIKey:YMBXTVYHTMGZDW-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1"], "synonym": ["Loxoprofen", "Loxoprofen", "Loxoprofene", "Loxoprofeno", "Loxoprofen", "Loxoprofen acid"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL19449", "category": ["biolink:ChemicalEntity"], "name": "IBUDILAST", "xref": ["InChIKey:ZJVFLBOZORBYFE-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)c1c(C(C)C)nn2ccccc12"], "synonym": ["Ibudilast", "Ibudilast", "Ibudilast", "Ketas", "AV-411", "AV411", "MN-166"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL289480", "category": ["biolink:ChemicalEntity"], "name": "RILMENIDINE", "xref": ["InChIKey:CQXADFVORZEARL-UHFFFAOYSA-N", "SMILES:C1COC(NC(C2CC2)C2CC2)=N1"], "synonym": ["Rilmenidine", "Rilmenidine", "Rilmenidina", "Hyperium", "Rilmenidine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL142635", "category": ["biolink:ChemicalEntity"], "name": "NAFTOPIDIL", "xref": ["InChIKey:HRRBJVNMSRJFHQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1"], "synonym": ["Naftopidil", "Naftopidil", "Naftopidil", "Flivas", "Naftopidil", "NSC-759293"], "chembl_natural_product": true}
{"name": "Alpha-1D adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL223"], "id": "UniProtKB:P25100", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL21333", "category": ["biolink:ChemicalEntity"], "name": "PRANLUKAST", "xref": ["InChIKey:NBQKINXMPLXUET-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1"], "synonym": ["Pranlukast", "Pranlukast", "Pranlukast", "Azlaire", "Pranlukast", "CCN 00401", "CCN-00401", "ONO 1078", "ONO-1078", "RS 411", "RS-411", "SB 205312", "SB-205312", "Onon"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL94454", "category": ["biolink:ChemicalEntity"], "name": "MIZOLASTINE", "xref": ["InChIKey:PVLJETXTTWAYEW-UHFFFAOYSA-N", "SMILES:CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1"], "synonym": ["Mizolastine", "Mizolastine", "Mizolastine", "Mizolastina", "Mizolastine", "Mizolastine", "Mizolastine", "Mizollen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259972", "category": ["biolink:ChemicalEntity"], "name": "MOFEZOLAC", "xref": ["InChIKey:DJEIHHYCDCTAAH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1"], "synonym": ["Mofezolac", "Mofezolaco"]}
{"name": "P2Y purinoceptor 6", "xref": ["CHEMBL.TARGET:CHEMBL4714"], "id": "UniProtKB:Q15077", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "P2Y purinoceptor 4", "xref": ["CHEMBL.TARGET:CHEMBL2123"], "id": "UniProtKB:P51582", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108290", "category": ["biolink:ChemicalEntity"], "name": "EPOETIN THETA", "synonym": ["Epoetin theta", "Epoetin theta", "Epoetin theta", "Epoetine theta", "Epoetina zeta", "Epoetin theta", "Biopoin", "Eporatio"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103875", "category": ["biolink:ChemicalEntity"], "name": "TRAMETINIB", "xref": ["InChIKey:LIRYPHYGHXZJBZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1"], "synonym": ["Trametinib", "Trametinib", "Trametinib", "Trametinib", "Tmt212", "Trametinib", "GSK-1120212", "GSK1120212", "JTP 74057", "JTP-74057", "TMT-212", "TMT212", "Mekinist", "Trametinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078685", "category": ["biolink:ChemicalEntity"], "name": "TOPIROXOSTAT", "xref": ["InChIKey:UBVZQGOVTLIHLH-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1"], "synonym": ["Topiroxostat", "Topiroxostat", "Topiroxostat", "FYX-051"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL328190", "category": ["biolink:ChemicalEntity"], "name": "LASOFOXIFENE", "xref": ["InChIKey:GXESHMAMLJKROZ-IAPPQJPRSA-N", "SMILES:Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1"], "synonym": ["Lasofoxifene", "Lasofoxifene", "Lasofoxifeno", "Lasofoxifene", "Lasofoxifene"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297935", "category": ["biolink:ChemicalEntity"], "name": "RG-7841", "synonym": ["Anti-ly6e-vcmmae", "Dlye5953a", "Rg 7841", "Rg-7841", "DLYE-5953A", "DLYE5953A", "RG-7841", "RG7841"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301583", "category": ["biolink:ChemicalEntity"], "name": "ANDEXANET ALFA", "synonym": ["Andexanet alfa", "Andexanet alfa", "Andexanet alfa", "Andexanet alfa", "Andexxa", "PRT-064445", "PRT-4445", "PRT064445", "rfXa Inhibitor Antidote", "Ondexxya", "Andexanet alfa"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.TARGET:CHEMBL4495555", "category": ["biolink:SmallMolecule"], "name": "Rivaroxaban"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544989", "category": ["biolink:ChemicalEntity"], "name": "VOLANESORSEN SODIUM", "synonym": ["Volanesorsen sodium", "Volanesorsen sodium", "Volanesorsen sodium", "ISIS 304801", "ISIS 304801 SODIUM SALT", "ISIS-304801 SODIUM", "ISIS-304801 SODIUM SALT", "Waylivra", "Volanesorsen sodium"]}
{"id": "CHEMBL.TARGET:CHEMBL4495602", "category": ["biolink:NucleicAcidEntity"], "name": "Apolipoprotein C-III mRNA 3'UTR"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297932", "category": ["biolink:ChemicalEntity"], "name": "DAS-181", "synonym": ["Oplunofusp", "Das-181", "Das181", "Fludase", "DAS-181-F04", "DAS-181F04", "DAS181-F04", "DAS181F04"]}
{"id": "CHEMBL.TARGET:CHEMBL3991481", "category": ["biolink:MolecularEntity"], "name": "Glycosaminoglycans"}
{"id": "CHEMBL.COMPOUND:CHEMBL1236524", "category": ["biolink:ChemicalEntity"], "name": "GALIDESIVIR", "xref": ["InChIKey:AMFDITJFBUXZQN-KUBHLMPHSA-N", "SMILES:Nc1ncnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12"], "synonym": ["Galidesivir", "Bcx4430", "Galidesivir", "Immucillin a", "BCX-4430", "BCX4430"], "chembl_prodrug": true, "chembl_natural_product": true}
{"name": "RNA-directed RNA polymerase L", "xref": ["CHEMBL.TARGET:CHEMBL4523583"], "id": "UniProtKB:P31352", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:33727"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106227", "category": ["biolink:ChemicalEntity"], "name": "ETIFOXINE", "xref": ["InChIKey:IBYCYJFUEJQSMK-UHFFFAOYSA-N", "SMILES:CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1"], "synonym": ["Etifoxine", "Etifoxine", "Etifoxina", "Etifoxine", "HOE 36801", "HOE-36801"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1615779", "category": ["biolink:ChemicalEntity"], "name": "IOBENGUANE I 131", "xref": ["InChIKey:PDWUPXJEEYOOTR-JRGAVVOBSA-N", "SMILES:N=C(N)NCc1cccc([131I])c1"], "synonym": ["Iobenguane (131i)", "Iobenguane i-131", "Iobenguane (131i)", "Iobenguano (131i)", "3-iodobenzylguanidine (131i)", "(131i)-mibg", "131 i-mibg", "131i-mibg", "3-iodobenzylguanidine (131i)", "3-iodobenzylguanidine, i-131", "I-131 metaiodobenzylguanidine", "Iobenguane (131 i)", "Iobenguane i 131", "Iobenguane, i-131", "Iodine (131i) iobenguane", "M131ibg", "Metaiodobenzylguanidine i-131", "Mibg i-131", "Azedra", "Ultratrace iodine i 131 metaiodobenzylguanidine", "Iobenguane i 131", "Iobenguane i 131"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL4495556", "category": ["biolink:SmallMolecule"], "name": "Apixaban"}
{"id": "CHEMBL.COMPOUND:CHEMBL2205807", "category": ["biolink:ChemicalEntity"], "name": "ABAMETAPIR", "xref": ["InChIKey:PTRATZCAGVBFIQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(C)cn2)nc1"], "synonym": ["Abametapir", "Abametapir", "Abametapir", "5,5'-dimethyl-2,2'-dipyridyl", "6,6'-bi-3-picoline", "Abametapir", "HA-44", "Ha44", "Xeglyze", "Abametapir"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301598", "category": ["biolink:ChemicalEntity"], "name": "FOSTEMSAVIR TROMETHAMINE", "xref": ["InChIKey:RRGJSMBMTOKHTE-UHFFFAOYSA-N", "SMILES:COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O.NC(CO)(CO)CO"], "synonym": ["Fostemsavir trometamol", "Fostemsavir tromethamine", "Fostemsavir tromethamine", "Fostemsavir trometamol", "BMS-663068 TROMETHAMINE", "BMS-663068-03", "GSK-3684934A", "GSK3684934A", "Rukobia", "Fostemsavir tromethamine"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297522", "category": ["biolink:ChemicalEntity"], "name": "PEMIGATINIB", "xref": ["InChIKey:HCDMJFOHIXMBOV-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21"], "synonym": ["Pemigatinib", "Pemigatinib", "Pemigatinib", "Pemigatinib", "Fgfr inhibitor incb054828", "Incb-054828", "Incb054828", "Pemigatinib", "INCB054828", "Pemazyre", "Pemigatinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4495601", "category": ["biolink:MolecularEntity"], "name": "Sialoglycans"}
{"name": "Tissue factor pathway inhibitor", "xref": ["CHEMBL.TARGET:CHEMBL3713062"], "id": "UniProtKB:P10646", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779710", "category": ["biolink:ChemicalEntity"], "name": "EVOGLIPTIN", "xref": ["InChIKey:LCDDAGSJHKEABN-MLGOLLRUSA-N", "SMILES:CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F"], "synonym": ["Evogliptin", "Evogliptin", "Evogliptine", "Evogliptina", "Da-1229", "Evogliptin", "DA-1229", "DA1229"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301618", "category": ["biolink:ChemicalEntity"], "name": "MOTOLIMOD", "xref": ["InChIKey:QSPOQCXMGPDIHI-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1"], "synonym": ["Motolimod", "Motolimod", "VTX-2337", "VTX-378", "Motolimod"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108360", "category": ["biolink:ChemicalEntity"], "name": "MIRAVIRSEN", "synonym": ["Miravirsen", "Miravirsen", "SPC-3649", "SPC3649"]}
{"id": "CHEMBL.TARGET:CHEMBL4483924", "category": ["biolink:NucleicAcidEntity"], "name": "microRNA 122"}
{"id": "CHEMBL.COMPOUND:CHEMBL338975", "category": ["biolink:ChemicalEntity"], "name": "PHYSOSTIGMINE SALICYLATE", "xref": ["InChIKey:HZOTZTANVBDFOF-PBCQUBLHSA-N", "SMILES:CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O"], "synonym": ["Physostigmine salicylate", "Physostigmine monosalicylate", "Physostigmini salicylas", "NSC-757275", "Antilirium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL859", "category": ["biolink:ChemicalEntity"], "name": "OXYPURINOL", "xref": ["InChIKey:HXNFUBHNUDHIGC-UHFFFAOYSA-N", "SMILES:Oc1nc(O)c2cn[nH]c2n1"], "synonym": ["Oxipurinol", "Oxipurinol", "Oxipurinol", "Oxipurinol", "Oxypurinol", "NSC-76239", "Oxypurinol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4216467", "category": ["biolink:ChemicalEntity"], "name": "RIPRETINIB", "xref": ["InChIKey:CEFJVGZHQAGLHS-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21"], "synonym": ["Ripretinib", "Ripretinib", "Ripretinib", "Ripretinib", "Dcc-2618", "Ripretinib", "DCC-2618", "Qinlock", "Ripretinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594262", "category": ["biolink:ChemicalEntity"], "name": "AMLODIPINE BENZOATE", "xref": ["InChIKey:RVPCEXXEUXIPEO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)c1ccccc1"], "synonym": ["Amlodipine benzoate", "Katerzia"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL479527", "category": ["biolink:ChemicalEntity"], "name": "TORCETRAPIB", "xref": ["InChIKey:CMSGWTNRGKRWGS-NQIIRXRSSA-N", "SMILES:CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC"], "synonym": ["Torcetrapib", "Torcetrapib", "Torcetrapib", "CP-529,414", "CP-529414", "Torcetrapib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785197", "category": ["biolink:ChemicalEntity"], "name": "OBICETRAPIB", "xref": ["InChIKey:NRWORBQAOQVYBJ-GJZUVCINSA-N", "SMILES:CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)O)cn2)C[C@H]1CC"], "synonym": ["Obicetrapib", "Obicetrapib", "Ta-8995", "AMG-899", "CASA", "DEZ-001", "TA-8995", "Obicetrapib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424780", "category": ["biolink:ChemicalEntity"], "name": "VESATOLIMOD", "xref": ["InChIKey:VFOKSTCIRGDTBR-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2"], "synonym": ["Vesatolimod", "Vesatolimod", "GS-9620", "Vesatolimod"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297610", "category": ["biolink:ChemicalEntity"], "name": "OLUTASIDENIB", "xref": ["InChIKey:NEQYWYXGTJDAKR-JTQLQIEISA-N", "SMILES:C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O"], "synonym": ["Olutasidenib", "Olutasidenib", "Olutasidenib", "Ft-2102", "Olutasidenib", "Rezlidhia", "FT-2102", "Rezlidhia", "Olutasidenib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1190262", "category": ["biolink:ChemicalEntity"], "name": "OLANEXIDINE", "xref": ["InChIKey:ZZQMUJGZCZTLQD-UHFFFAOYSA-N", "SMILES:CCCCCCCCNC(=N)NC(=N)NCc1ccc(Cl)c(Cl)c1"], "synonym": ["Olanexidine", "Olanexidina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064032", "category": ["biolink:ChemicalEntity"], "name": "VONOPRAZAN FUMARATE", "xref": ["InChIKey:ROGSHYHKHPCCJW-WLHGVMLRSA-N", "SMILES:CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.O=C(O)/C=C/C(=O)O"], "synonym": ["Vonoprazan fumarate", "Vonoprazan fumarate", "Vonoprazan fumarate", "Tak 438", "Vonoprazan fumarate", "Vonoprazan monofumarate", "Voquezna", "TAK-438", "TAK-438 monofumarate", "Voquezna", "Vonoprazan fumarate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL11662", "category": ["biolink:ChemicalEntity"], "name": "OZAGREL", "xref": ["InChIKey:SHZKQBHERIJWAO-AATRIKPKSA-N", "SMILES:O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1"], "synonym": ["Ozagrel", "Ozagrel", "KCT-0809"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594288", "category": ["biolink:ChemicalEntity"], "name": "LEVAMLODIPINE MALEATE", "xref": ["InChIKey:TZNOWAJJWCGILX-HNUXRKMMSA-N", "SMILES:CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl.O=C(O)/C=C\\C(=O)O"], "synonym": ["Levamlodipine maleate", "Amlodipine maleate, s-", "Conjupri", "Levamlodipine maleate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3237547", "category": ["biolink:ChemicalEntity"], "name": "CEDAZURIDINE", "xref": ["InChIKey:VUDZSIYXZUYWSC-DBRKOABJSA-N", "SMILES:O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F"], "synonym": ["Cedazuridine", "Cedazuridine", "Cedazuridina", "Cedazuridine", "CEDAZURIDINE COMPONENT OF ASTX-727", "CEDAZURIDINE COMPONENT OF ASTX727", "E-7727", "E7727", "Cedazuridine component of inqovi", "Cedazuridine"], "chembl_availability_type": "prescription only"}
{"name": "Cytidine deaminase", "xref": ["CHEMBL.TARGET:CHEMBL4502"], "id": "UniProtKB:P32320", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301594", "category": ["biolink:ChemicalEntity"], "name": "FOSTEMSAVIR", "xref": ["InChIKey:SWMDAPWAQQTBOG-UHFFFAOYSA-N", "SMILES:COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O"], "synonym": ["Fostemsavir", "Fostemsavir", "Bms-663068 free acid", "Fostemsavir", "BMS-663068", "Fostemsavir"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594301", "category": ["biolink:ChemicalEntity"], "name": "REMIMAZOLAM BESYLATE", "xref": ["InChIKey:QMTKNJZIWGTNTE-LMOVPXPDSA-N", "SMILES:COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21.O=S(=O)(O)c1ccccc1"], "synonym": ["Remimazolam besylate", "Remimazolam besylate", "Remimazolam besilate", "Remimazolam besilate", "Remimazolam besylate", "BIPRAZINE PF", "CNS 7056 besylate", "CNS 7056B", "CNS-7056 BESYLATE", "CNS-7056B", "GW-502056X", "GW502056X", "ONO-2745BS", "ONO-IN-251", "RF-10007", "RF10007", "SP148.5", "Byfavo", "Remimazolam besylate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4559134", "category": ["biolink:ChemicalEntity"], "name": "SELPERCATINIB", "xref": ["InChIKey:XIIOFHFUYBLOLW-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1"], "synonym": ["Selpercatinib", "Selpercatinib", "Selpercatinib", "Selpercatinib", "Loxo-292", "Ret inhibitor loxo-292", "Selpercatinib", "LOXO-292", "LY-3527723", "LY3527723", "Retevmo", "Retsevmo", "Selpercatinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297608", "category": ["biolink:ChemicalEntity"], "name": "ELDECALCITOL", "xref": ["InChIKey:FZEXGDDBXLBRTD-AYIMTCTASA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@@H](OCCCO)[C@@H]1O"], "synonym": ["Eldecalcitol", "Eldecalcitol", "Eldecalcitol", "Ed-71", "Eldecalcitol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108332", "category": ["biolink:ChemicalEntity"], "name": "BEPERMINOGENE PERPLASMID", "synonym": ["Beperminogene perplasmid", "Beperminogene perplasmid", "Beperminogene perplasmide", "Beperminogen perplasmido"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1591365", "category": ["biolink:ChemicalEntity"], "name": "LIRANAFTATE", "xref": ["InChIKey:VPHPQNGOVQYUMG-UHFFFAOYSA-N", "SMILES:COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCC3)n1"], "synonym": ["Liranaftate", "Liranaftate", "Liranaftato", "Piritetrate", "Zefnart"], "chembl_natural_product": true}
{"name": "Squalene epoxidase ERG1", "xref": ["CHEMBL.TARGET:CHEMBL1888"], "id": "UniProtKB:P32476", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297507", "category": ["biolink:ChemicalEntity"], "name": "DELGOCITINIB", "xref": ["InChIKey:LOWWYYZBZNSPDT-ZBEGNZNMSA-N", "SMILES:C[C@H]1CN(C(=O)CC#N)[C@]12CCN(c1ncnc3[nH]ccc13)C2"], "synonym": ["Delgocitinib", "Delgocitinib", "Delgocitinib", "JTE-052", "JTE-052A", "LEO 124249", "LEO 124249A", "LEO-124249", "LEO-124249A", "Delgocitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137310", "category": ["biolink:ChemicalEntity"], "name": "BENZHYDROCODONE HYDROCHLORIDE", "xref": ["InChIKey:VVCUIDHKAHHSAN-JJHQWJQCSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341.Cl"], "synonym": ["Benzhydrocodone hydrochloride", "KP-201", "KP201", "Benzhydrocodone hydrochloride component of apadaz", "Benzhydrocodone hydrochloride"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707245", "category": ["biolink:ChemicalEntity"], "name": "OMIDENEPAG", "xref": ["InChIKey:YHGSTSNEOJUIRN-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1"], "synonym": ["Omidenepag", "Omidenepag", "Omidenepag", "UR-7276", "Omidenepag"]}
{"id": "CHEMBL.COMPOUND:CHEMBL422648", "category": ["biolink:ChemicalEntity"], "name": "PRULIFLOXACIN", "xref": ["InChIKey:PWNMXPDKBYZCOO-UHFFFAOYSA-N", "SMILES:Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1"], "synonym": ["Prulifloxacin", "Prulifloxacin", "Prulifloxacine", "Prulifloxacino", "Prulifloxacin", "Prulifloxacin", "Prulifloxacin", "Pruvel", "NM-441", "NM441", "NSC-759833", "Sword"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4298010", "category": ["biolink:ChemicalEntity"], "name": "VELMANASE ALFA", "synonym": ["Velmanase alfa", "Velmanase alfa", "Velmanase alfa", "Velmanase alfa-tycv", "Velmanase alfa", "Velmanasa alfa", "Lamazym", "Lamzede", "R-h-laman", "Recombinant human laman", "Rhlaman", "Velmanase alfa", "Velmanase alfa-tycv", "A16AB", "CHF-LMZYMAA1", "CHFLMZYMAA1", "Lamzede", "Velmanase alfa"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4495553", "category": ["biolink:MolecularEntity"], "name": "High mannose oligosaccharides"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107455", "category": ["biolink:ChemicalEntity"], "name": "IGURATIMOD", "xref": ["InChIKey:ANMATWQYLIFGOK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1"], "synonym": ["Iguratimod", "Iguratimod", "Iguratimod", "Careram", "Iguratimod", "Kolbet", "T-614"], "chembl_natural_product": true}
{"name": "Macrophage migration inhibitory factor", "xref": ["CHEMBL.TARGET:CHEMBL2085"], "id": "UniProtKB:P14174", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin ligase TRAF3IP2", "xref": ["CHEMBL.TARGET:CHEMBL4523586"], "id": "UniProtKB:O43734", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298209", "category": ["biolink:ChemicalEntity"], "name": "BELANTAMAB MAFODOTIN", "synonym": ["Belantamab mafodotin", "Belantamab mafodotin", "Belantamab mafodotin-blmf", "Belantamab mafodotin", "Belantamab mafodotine", "Belantamab mafodotina", "Belantamab mafodotin", "Belantamab mafodotin blmf", "GSK-2857916", "GSK2857916", "Blenrep", "Belantamab mafodotin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Tumor necrosis factor receptor superfamily member 17", "xref": ["CHEMBL.TARGET:CHEMBL4523587"], "id": "UniProtKB:Q02223", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297528", "category": ["biolink:ChemicalEntity"], "name": "RISDIPLAM", "xref": ["InChIKey:ASKZRYGFUPSJPN-UHFFFAOYSA-N", "SMILES:Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1"], "synonym": ["Risdiplam", "Risdiplam", "Risdiplam", "Risdiplam", "Risdiplam", "RG-7916", "RG7916", "RO-7034067", "RO7034067", "Evrysdi", "Risdiplam"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL26", "category": ["biolink:ChemicalEntity"], "name": "SULPIRIDE", "xref": ["InChIKey:BGRJTUBHPOOWDU-UHFFFAOYSA-N", "SMILES:CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC"], "synonym": ["Sulpiride", "Sulpiride", "Sulpiride", "Sulpiride", "Sulpirida", "Sulpiride", "Sulpiride", "Sulpiride", "N05AL01", "NSC-757850", "RD-1403", "Abilit", "Aiglonyl", "Coolspan", "Dobren", "Dogmatil", "Dogmatyl", "Dolmatil", "Guastil", "Meresa", "Mirbanil", "Misulvan", "Neogama", "Omperan", "Pyrikappl", "Sernevin", "Splotin", "Sulpitil", "Sulpor", "Sursumid", "Synedil", "Trilan", "Sulpiride"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1323", "category": ["biolink:ChemicalEntity"], "name": "DARUNAVIR", "xref": ["InChIKey:CJBJHOAVZSMMDJ-HEXNFIEUSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1"], "synonym": ["Darunavir", "Darunavir", "Darunavir", "Darunavir", "Darunavir", "Darunavir", "(-)-darunavir", "Darunavir", "TMC 114", "TMC-114", "TMC-41629", "TMC114", "UIC-94017", "UIC-940T", "Darunavir component of prezcobix", "Darunavir component of symtuza", "Darunavir krka", "Darunavir krka d.d.", "Darunavir viatris (previously darunavir mylan)", "Prezista", "Darunavir"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989944", "category": ["biolink:ChemicalEntity"], "name": "DIROXIMEL FUMARATE", "xref": ["InChIKey:YIMYDTCOUQIDMT-SNAWJCMRSA-N", "SMILES:COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O"], "synonym": ["Diroximel fumarate", "Diroximel fumarate", "Diroximel fumarate (biib098)", "Diroximel fumarate", "Diroximel fumarate", "Fumarate de diroximel", "Fumarato de diroximel", "Alks 8700", "Diroximel fumarate", "ALKS 8700", "ALKS-8700", "ALKS8700", "BIIB-098", "BIIB098", "RDC-5108", "RDC5108", "Vumerity", "Diroximel fumarate"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL589586", "category": ["biolink:ChemicalEntity"], "name": "MONOMETHYL FUMARATE", "xref": ["InChIKey:NKHAVTQWNUWKEO-NSCUHMNNSA-N", "SMILES:COC(=O)/C=C/C(=O)O"], "synonym": ["Monomethyl fumarate", "Monomethyl fumarate", "Fumarate de monomethyle", "Fumarato de monometilo", "Fumaric acid monomethyl ester", "Monomethyl fumarate", "NSC-523835", "Bafiertam", "Monomethyl fumarate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297592", "category": ["biolink:ChemicalEntity"], "name": "AMENAMEVIR", "xref": ["InChIKey:MNHNIVNAFBSLLX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCS(=O)(=O)CC1"], "synonym": ["Amenamevir", "Amenamevir", "Amenamevir", "Amenamevir", "Amenamevir", "Asp2151", "ASP-2151", "ASP2151"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL4523677", "category": ["biolink:MacromolecularComplex"], "name": "Helicase primase complex"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298047", "category": ["biolink:ChemicalEntity"], "name": "TAFASITAMAB", "synonym": ["Tafasitamab", "Tafasitamab", "Tafasitamab-cxix", "Tafasitamab", "Mor-208", "Mor00208", "Tafasitamab", "Tafasitamab cxix", "Xmab-5574", "Xmab5574", "MOR-00208", "MOR00208", "MOR208", "XmAb5574", "Minjuvi", "Monjuvi", "Monjuvi (tafasitamab-cxix) for injection", "Tafasitamab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297549", "category": ["biolink:ChemicalEntity"], "name": "HUMAN C1-ESTERASE INHIBITOR", "synonym": ["C1-inhibitor, plasma derived", "C1 inhibitor (human)", "Human c1-esterase inhibitor", "Berinert", "C1 inhibitor human", "C1-inhibitor, plasma derived", "Cinryze", "Human c1-esterase inhibitor", "RVG-19303", "Cetor", "Cinryze"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297621", "category": ["biolink:ChemicalEntity"], "name": "EVOCALCET", "xref": ["InChIKey:RZNUIYPHQFXBAN-XLIONFOSSA-N", "SMILES:C[C@@H](N[C@H]1CCN(c2ccc(CC(=O)O)cc2)C1)c1cccc2ccccc12"], "synonym": ["Evocalcet", "Evocalcet", "Evocalcet", "Evocalcet", "Khk7580", "KHK-7580", "KHK7580", "MT-4580"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL240163", "category": ["biolink:ChemicalEntity"], "name": "PAZUFLOXACIN", "xref": ["InChIKey:XAGMUUZPGZWTRP-ZETCQYMHSA-N", "SMILES:C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23"], "synonym": ["Pazufloxacin", "Pazufloxacin", "Pazufloxacine", "Pazufloxacino", "Pazufloxacin", "Pazufloxacin", "Pazufloxacin", "T-3761"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989504", "category": ["biolink:ChemicalEntity"], "name": "SITAFLOXACIN", "xref": ["InChIKey:ANCJYRJLOUSQBW-JJZGMWGRSA-N", "SMILES:N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2.O"], "synonym": ["Sitafloxacin", "Sitafloxacin", "Sitafloxacine", "Sitafloxacino", "Sitafloxacin hydrate", "Sitafloxacin sesquihydrate", "Sitafloxacin hydrate", "Sitafloxacin monohydrate", "DU-6859A", "Sitafloxacin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297770", "category": ["biolink:ChemicalEntity"], "name": "INOTERSEN", "synonym": ["Inotersen", "Inotersen", "Inotersen", "Inotersen", "GSK-2998728", "ISIS 420915", "ISIS-420915", "Inotersen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297516", "category": ["biolink:ChemicalEntity"], "name": "LURBINECTEDIN", "xref": ["InChIKey:YDDMIZRDDREKEP-HWTBNCOESA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN[C@]31CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@H]2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1O)N2C)OCO4"], "synonym": ["Lurbinectedin", "Lurbinectedin", "Lurbinectedin", "Lurbinectedine", "Lurbinectedina", "Lurbinectedin", "Pm01183", "Tryptamicidin", "PM-01183", "PM-1183", "PM01183", "PM1183", "Zepsyre", "Zepzelca", "Lurbinectedin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET", "id": "CHEMBL.TARGET:CHEMBL3430888", "category": ["biolink:Protein"]}
{"name": "Coiled-coil domain-containing protein 6/Tyrosine-protein kinase receptor RET", "id": "CHEMBL.TARGET:CHEMBL3430904", "category": ["biolink:Protein"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594265", "category": ["biolink:ChemicalEntity"], "name": "GIVOSIRAN SODIUM", "synonym": ["Givosiran sodium", "Givosiran sodium", "Givlaari"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL441738", "category": ["biolink:ChemicalEntity"], "name": "AFAMELANOTIDE", "xref": ["InChIKey:UAHFGYDRQSXQEB-LEBBXHLNSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C"], "synonym": ["Afamelanotide", "Afamelanotide", "Afamelanotide", "Afamelanotida", "Afamelanotide", "(nle4,d-phe7)-.alpha.-msh", "Afamelanotide", "Melanotan", "Melanotan i", "Melanotan-1", "Ndp-alpha-msh", "CUV-1647", "CUV1647", "Scenesse", "Afamelanotide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297211", "category": ["biolink:ChemicalEntity"], "name": "CEFIDEROCOL SULFATE TOSYLATE", "xref": ["InChIKey:QNMVZYPDWLKAJC-RXVBEKIDSA-N", "SMILES:CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O.CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O.CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.O.O=S(=O)([O-])[O-]"], "synonym": ["Cefiderocol sulfate tosilate", "Cefiderocol sulfate tosylate", "Cefiderocol sulfate tosylate", "Cefiderocol tosilate sulfate hydrate", "GSK-2696266D", "GSK2696266D", "S-649266D", "Fetcroja", "Fetroja", "Cefiderocol sulfate tosylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989987", "category": ["biolink:ChemicalEntity"], "name": "PATISIRAN", "synonym": ["Patisiran", "Patisiran", "Patisiran", "Genz-438027", "Patisiran", "ALN-18328", "ALN-TTR02", "SAR-438037", "Patisiran"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107016", "category": ["biolink:ChemicalEntity"], "name": "TALTIRELIN", "xref": ["InChIKey:LQZAIAZUDWIVPM-SRVKXCTJSA-N", "SMILES:CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O"], "synonym": ["Taltirelin", "Taltireline", "Taltirelina", "TA-0910"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107876", "category": ["biolink:ChemicalEntity"], "name": "CONDOLIASE", "synonym": ["Condoliase", "Condoliasa", "Condoliase", "Condoliase", "Hernicore", "SI-6603", "Condoliase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333325", "category": ["biolink:ChemicalEntity"], "name": "FOSRAVUCONAZOLE", "xref": ["InChIKey:SYTNEMZCCLUTNX-NPMXOYFQSA-N", "SMILES:C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@@](Cn1cncn1)(OCOP(=O)(O)O)c1ccc(F)cc1F"], "synonym": ["Fosravuconazole", "Fosravuconazole", "Fosravuconazol", "Fosravuconazole", "Bms-379224", "Fosravuconazole", "Ravuconazole methyl phosphate", "Ravuconazole methylphosphate", "Ravuconazole phosphoester", "E-1224 FREE ACID", "E1224 FREE ACID"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108304", "category": ["biolink:ChemicalEntity"], "name": "ALIPOGENE TIPARVOVEC", "synonym": ["Alipogene tiparvovec", "Alipogene tiparvovec", "Alipogene tiparvovec", "Alipogen tiparvovec", "Alipogene tiparvovec", "Glybera", "Glybera"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53366", "category": ["biolink:ChemicalEntity"], "name": "IMIDAFENACIN", "xref": ["InChIKey:SQKXYSGRELMAAU-UHFFFAOYSA-N", "SMILES:Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1"], "synonym": ["Imidafenacin", "Imidafenacin", "Imidafenacine", "Imidafenacina", "Imidafenacin", "Imidafenacin", "Imidafenacin", "Staybla", "Uritos", "KRP-197", "ONO-8025"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4298062", "category": ["biolink:ChemicalEntity"], "name": "VILTOLARSEN", "synonym": ["Viltolarsen", "Viltolarsen", "Viltolarsen", "Ns-065/ncnp-01", "Viltolarsen", "NCNP-01", "NS-065", "NS-065/NCNP-01", "Viltepso", "Viltolarsen"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3646221", "category": ["biolink:ChemicalEntity"], "name": "VADADUSTAT", "xref": ["InChIKey:JGRXMPYUTJLTKT-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O"], "synonym": ["Vadadustat", "Vadadustat", "Vadadustat", "Vadadustat", "Vadadustat", "Vafseo", "AKB-6548", "B-506", "B506", "PG-1016548", "PG1016548", "Vafseo", "Vadadustat"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Egl nine homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL5697"], "id": "UniProtKB:Q9GZT9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prolyl hydroxylase EGLN3", "xref": ["CHEMBL.TARGET:CHEMBL5705"], "id": "UniProtKB:Q9H6Z9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prolyl hydroxylase EGLN2", "xref": ["CHEMBL.TARGET:CHEMBL3028"], "id": "UniProtKB:Q96KS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742461", "category": ["biolink:ChemicalEntity"], "name": "LAFUTIDINE", "xref": ["InChIKey:KMZQAVXSMUKBPD-DJWKRKHSSA-N", "SMILES:O=C(C[S+]([O-])Cc1ccco1)NC/C=C\\COc1cc(CN2CCCCC2)ccn1"], "synonym": ["Lafutidine", "Lafutidine", "Lafutidina", "Lafutidine", "Lafutidine", "Lafutidine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107383", "category": ["biolink:ChemicalEntity"], "name": "VERNAKALANT HYDROCHLORIDE", "xref": ["InChIKey:JMHYCBFEEFHTMK-IIUXMCBISA-N", "SMILES:COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC.Cl"], "synonym": ["Vernakalant hydrochloride", "Vernakalant hydrochloride", "Brinavess", "Kynapid", "Vernakalant hcl", "Vernakalant hydrochloride", "RSD-1235", "RSD1235", "Brinavess", "Vernakalant hydrochloride"]}
{"id": "CHEMBL.TARGET:CHEMBL3038488", "category": ["biolink:MacromolecularComplex"], "name": "Kir3.1/Kir3.4"}
{"name": "Potassium voltage-gated channel subfamily A member 5", "xref": ["CHEMBL.TARGET:CHEMBL4306"], "id": "UniProtKB:P22460", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290960", "category": ["biolink:ChemicalEntity"], "name": "NIFURTIMOX", "xref": ["InChIKey:ARFHIAQFJWUCFH-IZZDOVSWSA-N", "SMILES:CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1"], "synonym": ["Nifurtimox", "Nifurtimox", "Nifurtimox", "Nifurtimox", "Nifurtimox", "Nifurtimox", "Nifurtimox", "Nifurtimoxum", "BAY 2502", "BAY A2502", "BAY-2502", "BAY-A2502", "BAYER 2502", "BAYER-2502", "DNDI1613515", "Lampit", "Nifurtimox"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4495551", "category": ["biolink:NucleicAcidEntity"], "name": "DNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297804", "category": ["biolink:ChemicalEntity"], "name": "PF-06263507", "synonym": ["Pf-06263507"]}
{"name": "Lymphocyte antigen 6E", "xref": ["CHEMBL.TARGET:CHEMBL4523584"], "id": "UniProtKB:Q16553", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594446", "category": ["biolink:ChemicalEntity"], "name": "DOTINURAD", "xref": ["InChIKey:VOFLAIHEELWYGO-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21"], "synonym": ["Dotinurad", "Dotinurad", "Fyu-981", "FYU-981"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594311", "category": ["biolink:ChemicalEntity"], "name": "BETIBEGLOGENE AUTOTEMCEL", "synonym": ["Betibeglogene autotemcel", "Autologous cd34+ cell enriched population that contains hematopoietic stem cells transduced with lentiglobin bb305 lentiviral vector encoding the beta-a-t87q-globin gene", "Betibeglogene autotemcel", "Betibeglogene autotemcel", "Betibeglogen autotemcel", "Betibeglogene autotemcel", "Zynteglo", "BB-305", "LentiGlobin BB305", "Zynteglo", "Betibeglogene autotemcel"]}
{"name": "Hemoglobin subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4331"], "id": "UniProtKB:P68871", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594618", "category": ["biolink:ChemicalEntity"], "name": "BREXUCABTAGENE AUTOLEUCEL", "synonym": ["Brexucabtagene autoleucel", "Autologous peripheral blood t cells cd4 and cd8 selected and cd3 and cd28 activated transduced with retroviral vector expressing anti-cd19 cd28/cd3-zeta chimeric antigen receptor and cultured (brexucabtagene autoleucel)", "Brexucabtagene autoleucel", "Brexucabtagene autoleucel", "Brexucabtagene autoleucel", "KTE-X19", "Tecartus", "Brexucabtagene autoleucel"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298005", "category": ["biolink:ChemicalEntity"], "name": "MITIGLINIDE CALCIUM DIHYDRATE", "synonym": ["Mitiglinide calcium hydrate", "Mitiglinide calcium salt dihydrate", "Glufast", "Kad-1229", "Mitiglinide calcium dihydrate", "Mitiglinide calcium hydrate", "KAD-1229", "S-21403"]}
{"id": "CHEMBL.COMPOUND:CHEMBL954", "category": ["biolink:ChemicalEntity"], "name": "ENCLOMIPHENE", "xref": ["InChIKey:GKIRPKYJQBWNGO-OCEACIFDSA-N", "SMILES:CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1"], "synonym": ["Enclomifene", "Enclomifeno", "Clomiphene trans-form", "Cisclomiphene", "Enclomiphene", "Rmi-16,289", "ICI-46476", "ISOMER B", "ISOMER-B", "RMI 16,289", "RMI-16289", "Enclomiphene"], "chembl_prodrug": true, "chembl_natural_product": true}
{"name": "Replicase polyprotein 1ab", "xref": ["CHEMBL.TARGET:CHEMBL4523582"], "id": "UniProtKB:P0DTD1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:2697049"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707382", "category": ["biolink:ChemicalEntity"], "name": "VESTRONIDASE ALFA", "synonym": ["Vestronidase alfa", "Vestronidase alfa", "Vestronidase alfa-vjbk", "Vestronidase alfa", "Vestronidasa alfa", "Vestronidase alfa", "Vestronidase alfa vjbk", "UX-003", "UX003", "Mepsevii", "Vestronidase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1275868", "category": ["biolink:ChemicalEntity"], "name": "AZELNIDIPINE", "xref": ["InChIKey:ZKFQEACEUNWPMT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1"], "synonym": ["Azelnidipine", "Azelnidipino", "Azelnidipine", "Azelnidipine", "Azelnidipine", "Calblock", "CS-905", "CS905"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103761", "category": ["biolink:ChemicalEntity"], "name": "BARNIDIPINE", "xref": ["InChIKey:VXMOONUMYLCFJD-DHLKQENFSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1"], "synonym": ["Barnidipine", "Barnidipine", "Barnidipino", "Mepirodipine", "Vasexten"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297984", "category": ["biolink:ChemicalEntity"], "name": "NAXITAMAB", "synonym": ["Naxitamab", "Naxitamab-gqgk", "Naxitamab", "Hu3f8", "Humanized 3f8", "Monoclonal antibody hu3f8", "Naxitamab", "Naxitamab gqgk", "Hu3F8", "Danyelza", "Naxitamab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067995", "category": ["biolink:ChemicalEntity"], "name": "BEROTRALSTAT HYDROCHLORIDE", "xref": ["InChIKey:XFZLBLTUANGZBD-QDSLRZTOSA-N", "SMILES:Cl.Cl.N#Cc1cccc([C@@H](NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1"], "synonym": ["Berotralstat dihydrochloride", "Berotralstat hydrochloride", "Berotralstat hydrochloride", "Berotralstat dihydrochloride", "BCX-7353 DIHYDROCHLORIDE", "BCX7353 DIHYDROCHLORIDE", "BCX7353.2HCl", "Orladeyo", "Berotralstat hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL363392", "category": ["biolink:ChemicalEntity"], "name": "MARALIXIBAT", "xref": ["InChIKey:STPKWKPURVSAJF-LJEWAXOPSA-N", "SMILES:CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)[C@H]1O"], "synonym": ["Lopixibat", "Maralixibat", "Maralixibat cation", "LUM-001 CATION", "LUM001 CATION", "TAK-625", "Maralixibat"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297588", "category": ["biolink:ChemicalEntity"], "name": "ODEVIXIBAT", "xref": ["InChIKey:XULSCZPZVQIMFM-IPZQJPLYSA-N", "SMILES:CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1"], "synonym": ["Odevixibat", "Odevixibat", "A4250", "Odevixibat", "A-4250", "A4250", "AR-H064974", "AZD-8294", "AZD8294", "Odevixibat"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707222", "category": ["biolink:ChemicalEntity"], "name": "VOLIXIBAT", "xref": ["InChIKey:ULVBLFBUTQMAGZ-RTNCXNSASA-N", "SMILES:CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(NC(=O)N[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](OCc4ccccc4)[C@H]3O)c2)[C@H]1O"], "synonym": ["Volixibat", "Volixibat", "SAR-548304 FREE ACID", "Volixibat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2387408", "category": ["biolink:ChemicalEntity"], "name": "LINERIXIBAT", "xref": ["InChIKey:CZGVOBIGEBDYTP-VSGBNLITSA-N", "SMILES:CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1"], "synonym": ["Linerixibat", "Gsk-2330672", "Gsk2330672", "Linerixibat", "GSK2330672", "Linerixibat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297711", "category": ["biolink:ChemicalEntity"], "name": "BULEVIRTIDE", "synonym": ["Bulevirtide", "Bulevirtide", "Bulevirtida", "Bulevirtide", "Hepcludex", "915207G", "Hepcludextm", "Myrcludex", "Bulevirtide"]}
{"name": "Hepatic sodium/bile acid cotransporter", "xref": ["CHEMBL.TARGET:CHEMBL5287"], "id": "UniProtKB:Q14973", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582651", "category": ["biolink:ChemicalEntity"], "name": "PRALSETINIB", "xref": ["InChIKey:GBLBJPZSROAGMF-RWYJCYHVSA-N", "SMILES:CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1"], "synonym": ["Pralsetinib", "Pralsetinib", ":pralsetinib", "Pralsetinib", "Pralsetinib", "Blu-667", "Cis-pralsetinib", "Pralsetinib", "Pralsetinib, cis-", "BLU-123244", "BLU-667", "BLU123244", "RG-6396", "X-581238", "X581238", "Gavreto", "Pralsetinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298183", "category": ["biolink:ChemicalEntity"], "name": "ATOLTIVIMAB", "synonym": ["Atoltivimab", "Atoltivimab", "Atoltivimab", "Atoltivimab-ebgn", "Regn-3470", "REGN3470", "Atoltivimab component of inmazeb  -ebgn", "Atoltivimab component of regn-eb3", "Atoltivimab"], "chembl_availability_type": "prescription only"}
{"name": "Envelope glycoprotein", "xref": ["CHEMBL.TARGET:CHEMBL4105829"], "id": "UniProtKB:Q05320", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:128952"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298184", "category": ["biolink:ChemicalEntity"], "name": "MAFTIVIMAB", "synonym": ["Maftivimab", "Maftivimab", "Maftivimab-ebgn", "Regn-3479", "REGN3479", "Maftivimab component of inmazeb  -ebgn", "Maftivimab component of regn-eb3", "Maftivimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298188", "category": ["biolink:ChemicalEntity"], "name": "ODESIVIMAB", "synonym": ["Odesivimab", "Odesivimab", "Odesivimab ebgn", "Odesivimab-ebgn", "REGN-3471", "REGN3471", "Odesivimab component of inmazeb  -ebgn", "Odesivimab component of regn-eb3", "Odesivimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297619", "category": ["biolink:ChemicalEntity"], "name": "ENARODUSTAT", "xref": ["InChIKey:NALAUGMPMIVAOW-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12"], "synonym": ["Enarodustat", "Enarodustat", "Jtz-951", "JTZ-951"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298088", "category": ["biolink:ChemicalEntity"], "name": "CETUXIMAB SAROTALOCAN", "synonym": ["Cetuximab sarotalocan", "Cetuximab sarotalocan sodium", "Cetuximab sarotalocan sodium", "Cetuximab-irdye 700dx conjugate", "ASP-1929", "Cetuximab-IRDye-700DX", "RM-1929", "Cetuximab sarotalocan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707223", "category": ["biolink:ChemicalEntity"], "name": "SOFPIRONIUM BROMIDE", "xref": ["InChIKey:FIAFMTCUJCWADZ-JOFREBOKSA-M", "SMILES:CCOC(=O)C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1.[Br-]"], "synonym": ["Sofpironium bromide", "Sofpironium bromide", "Bromure de sofpironium", "Bromuro de sofpironio", "Sofdra", "Sofpironium bromide", "BBI-4000", "Sofdra", "Sofpironium bromide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL450044", "category": ["biolink:ChemicalEntity"], "name": "SERGLIFLOZIN ETABONATE", "xref": ["InChIKey:QLXKHBNJTPICNF-QMCAAQAGSA-N", "SMILES:CCOC(=O)OC[C@H]1O[C@@H](Oc2ccccc2Cc2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Sergliflozin etabonate", "Etabonate de sergliflozine", "Etabonato de sergliflozina", "Sergliflozin a", "GW-869682X", "GW-869683X", "GW869682X", "Sergliflozin etabonate"], "chembl_natural_product": true}
{"name": "A-type voltage-gated potassium channel KCND3", "xref": ["CHEMBL.TARGET:CHEMBL1964"], "id": "UniProtKB:Q9UK17", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297859", "category": ["biolink:ChemicalEntity"], "name": "AZINTUXIZUMAB VEDOTIN", "synonym": ["Azintuxizumab vedotin", "Azintuxizumab vedotine", "Azintuxizumab vedotina", "Abbv-838", "Azintuxizumab vedotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297987", "category": ["biolink:ChemicalEntity"], "name": "ENAPOTAMAB VEDOTIN", "synonym": ["Enapotamab vedotin", "Enapotamab vedotine", "Enapotamab vedotina", "Axl-107-mmae", "Enapotamab vedotin", "Humax axl adc", "Humax-axl-adc", "HUMAXAXLADC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298045", "category": ["biolink:ChemicalEntity"], "name": "INDUSATUMAB VEDOTIN", "synonym": ["Indusatumab vedotin", "Indusatumab vedotine", "Indusatumab vedotina", "Indusatumab vedotin", "Mln0264", "MLN-0264", "MLN0264", "TAK-264"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298101", "category": ["biolink:ChemicalEntity"], "name": "LADIRATUZUMAB VEDOTIN", "synonym": ["Ladiratuzumab vedotin", "Ladiratuzumab vedotine", "Ladiratuzumab vedotina", "Ladiratuzumab vedotin", "Sgn-liv1a", "SGN-LIV1A", "SGNLIV1A"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297938", "category": ["biolink:ChemicalEntity"], "name": "LIFASTUZUMAB VEDOTIN", "synonym": ["Lifastuzumab vedotin", "Lifastuzumab vedotine", "Lifastuzumab vedotina", "Dnib0600a", "Lifastuzumab vedotin", "DNIB-0600A", "DNIB0600A", "NAPI3B", "RG-7599", "Lifastuzumab vedotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990032", "category": ["biolink:ChemicalEntity"], "name": "TELISOTUZUMAB VEDOTIN", "synonym": ["Telisotuzumab vedotin", "Telisotuzumab vedotine", "Telisotuzumab vedotina", "Abbv 399", "Abt-700-vcmmae", "Telisotuzumab vedotin", "ABBV-399", "ABT-399", "PR-1420682", "Telisotuzumab vedotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297841", "category": ["biolink:ChemicalEntity"], "name": "TISOTUMAB VEDOTIN", "synonym": ["Tisotumab vedotin", "Tisotumab vedotin-tftv", "Tisotumab vedotin", "Tisotumab vedotine", "Tisotumab vedotina", "Humaxtfadc", "Tisotumab vedotin", "Tisotumab vedotin tftv", "GCT1015-04", "HuMax-TF-ADC", "IGG1-1015-011-1006", "TF-011-MMAE", "Tivdak", "Tisotumab vedotin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4495554", "category": ["biolink:MolecularEntity"], "name": "Hyaluronic acid"}
{"id": "CHEMBL.COMPOUND:CHEMBL123292", "category": ["biolink:ChemicalEntity"], "name": "CYCLOHEXIMIDE", "xref": ["InChIKey:YPHMISFOHDHNIV-FSZOTQKASA-N", "SMILES:C[C@@H]1C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1"], "synonym": ["Cicloheximide", "Cicloheximida", "Cycloheximide", "GNF-Pf-5118", "NSC-171", "NSC-185", "TCMDC-125838", "U-4527", "Cycloheximide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297627", "category": ["biolink:ChemicalEntity"], "name": "SELITRECTINIB", "xref": ["InChIKey:OEBIHOVSAMBXIB-SJKOYZFVSA-N", "SMILES:C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1"], "synonym": ["Selitrectinib", "Loxo-195", "Selitrectinib", "LOXO-195"]}
{"name": "Zinc transporter ZIP6", "xref": ["CHEMBL.TARGET:CHEMBL4523581"], "id": "UniProtKB:Q13433", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tissue factor", "xref": ["CHEMBL.TARGET:CHEMBL4081"], "id": "UniProtKB:P13726", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium-dependent phosphate transport protein 2B", "xref": ["CHEMBL.TARGET:CHEMBL4295685"], "id": "UniProtKB:O95436", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707290", "category": ["biolink:ChemicalEntity"], "name": "SOMAPACITAN", "xref": ["InChIKey:NAKSIOUBFDBTSW-ITMZJIMRSA-N", "SMILES:C=C(CCCCCCCCCCCCCCCc1nnn[nH]1)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSC[C@H](N)C(=O)O)C(N)=O)C(=O)O)C(=O)O"], "synonym": ["Somapacitan", "Somapacitan", "Somapacitan-beco", "Somapacitan", "Somapacitan", "Somapacitan beco", "NN-8640", "NN8640", "NNC-0195-0092", "NNC-01950092", "NNC0195-0092", "NNC01950092", "Sogroya", "Somapacitan"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594393", "category": ["biolink:ChemicalEntity"], "name": "CALCIUM OXYBATE", "xref": ["InChIKey:AZRRVLSHRWGNRS-UHFFFAOYSA-L", "SMILES:O=C([O-])CCCO.O=C([O-])CCCO.[Ca+2]"], "synonym": ["Calcium oxybate", "Oxybate calcium", "Calcium oxybate component of xywav"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594394", "category": ["biolink:ChemicalEntity"], "name": "MAGNESIUM OXYBATE", "xref": ["InChIKey:QWZIZKOBUUSCLO-UHFFFAOYSA-L", "SMILES:O=C([O-])CCCO.O=C([O-])CCCO.[Mg+2]"], "synonym": ["Magnesium oxybate", "Oxybate magnesium", "Magnesium oxybate component of xywav"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594395", "category": ["biolink:ChemicalEntity"], "name": "POTASSIUM OXYBATE", "xref": ["InChIKey:TXSIWDVUJVMMKM-UHFFFAOYSA-M", "SMILES:O=C([O-])CCCO.[K+]"], "synonym": ["Potassium oxybate", "Oxybate potassium", "Potassium oxybate component of xywav"], "chembl_availability_type": "prescription only"}
{"name": "Genome polyprotein", "xref": ["CHEMBL.TARGET:CHEMBL4523585"], "id": "UniProtKB:P03314", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11090"]}
{"name": "Genome polyprotein", "xref": ["CHEMBL.TARGET:CHEMBL4523307"], "id": "UniProtKB:Q32ZE1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:64320"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221722", "category": ["biolink:ChemicalEntity"], "name": "FAVIPIRAVIR", "xref": ["InChIKey:ZCGNOVWYSGBHAU-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(F)cnc1O"], "synonym": ["Favipiravir", "Favipiravir", "Favipiravir", "Favipiravir", "Avigan", "Favipiravir", "T-705", "Favipiravir"], "chembl_prodrug": true}
{"id": "CHEMBL.TARGET:CHEMBL4523676", "category": ["biolink:MacromolecularComplex"], "name": "RNA-directed RNA polymerase"}
{"id": "CHEMBL.COMPOUND:CHEMBL475534", "category": ["biolink:ChemicalEntity"], "name": "NITRENDIPINE", "xref": ["InChIKey:PVHUJELLJLJGLN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1"], "synonym": ["Nitrendipine", "Nitrendipine", "Nitrendipine", "Nitrendipine", "Nitrendipino", "Nitrendipine", "Nitrendipine", "Bayotensin", "Deiten", "Nidrel", "Nitrendipine", "Nitrepin", "(+/-)-BAY-E-5009", "BAY E 5009", "BAY-E-5009", "NSC-758466", "Baypress", "Nitrendipine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074972", "category": ["biolink:ChemicalEntity"], "name": "BENIDIPINE", "xref": ["InChIKey:QZVNQOLPLYWLHQ-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1"], "synonym": ["Benidipine", "Benidipine", "Benidipino", "Benidipine", "Benidipine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1085699", "category": ["biolink:ChemicalEntity"], "name": "MANIDIPINE 6300", "xref": ["InChIKey:ANEBWFXPVPTEET-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1"], "synonym": ["Manidipine", "Manidipine", "Manidipino", "Manidipine", "Artedil", "Franidipine", "Manidipine", "Manidipine 6300"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517427", "category": ["biolink:ChemicalEntity"], "name": "NILVADIPINE", "xref": ["InChIKey:FAIIFDPAEUKBEP-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1"], "synonym": ["Nilvadipine", "Nilvadipine", "Nilvadipino", "Nilvadipine", "Nilvadipine", "Dl-nilvadipine", "Escor", "Nilvadipine", "Nivadil", "Nivadip", "Nivadipine", "CL 287,389", "CL-287,389", "CL-287389", "FK 235", "FK-235", "FR-34235", "SK&F 102,362", "SK&F-102,362", "SK&F-102362", "SKF-102362", "Nilvadipine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452076", "category": ["biolink:ChemicalEntity"], "name": "CILNIDIPINE", "xref": ["InChIKey:KJEBULYHNRNJTE-DHZHZOJOSA-N", "SMILES:COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1"], "synonym": ["Cilnidipine", "Cilnidipine", "Cilnidipino", "Cilnidipine", "Cilnidipine", "Atelec", "Cilnidipine", "Cinalong", "Siscard", "FRC-8653"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2106419", "category": ["biolink:ChemicalEntity"], "name": "LERCANIDIPINE HYDROCHLORIDE", "xref": ["InChIKey:WMFYOYKPJLRMJI-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl"], "synonym": ["Lercanidipine hydrochloride", "Lercanidipine hydrochloride", "Lercanidipine hydrochloride", "Lercanidipine hcl", "Lercanidipine hydrochloride", "REC-15/2375", "Cardiovasc", "Zanidip", "Lercanidipine hydrochloride"]}
{"name": "Coagulation factor XI", "xref": ["CHEMBL.TARGET:CHEMBL2820"], "id": "UniProtKB:P03951", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Complement C1s subcomponent", "xref": ["CHEMBL.TARGET:CHEMBL3913"], "id": "UniProtKB:P09871", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742466", "category": ["biolink:ChemicalEntity"], "name": "LANDIOLOL", "xref": ["InChIKey:WMDSZGFJQKSLLH-RBBKRZOGSA-N", "SMILES:CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1"], "synonym": ["Landiolol", "Landiolol", "Landiolol", "Landiolol", "AOP-200704", "AOP200704", "LDLL-600", "LDLL600", "ONO-1101", "Landiolol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594388", "category": ["biolink:ChemicalEntity"], "name": "ANSUVIMAB", "synonym": ["Ansuvimab", "Ansuvimab-zykl", "Ansuvimab", "Ansuvimab", "Ansuvimab zykl", "Mab114", "EVB-114", "EVB114", "EboV mAb114", "MAB-114", "MAB114", "VRC-EBOMAB092-00-AB", "Ebanga", "Ansuvimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297779", "category": ["biolink:ChemicalEntity"], "name": "LUMASIRAN", "synonym": ["Lumasiran", "Lumasiran", "Lumasiran", "AD-65585", "ALN-65585", "ALN-G01", "ALN-GO1", "Lumasiran"]}
{"id": "CHEMBL.TARGET:CHEMBL4524134", "category": ["biolink:NucleicAcidEntity"], "name": "Hydroxyacid oxidase 1 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105684", "category": ["biolink:ChemicalEntity"], "name": "SELUMETINIB SULFATE", "xref": ["InChIKey:GRKFGZYYYYISDX-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21.O=S(=O)(O)O"], "synonym": ["Selumetinib sulfate", "Selumetinib sulfate", "Selumetinib sulfate", "Azd-6244 hydrogen sulphate", "Azd6244 hydrogen sulphate", "Selumetinib hydrogen sulfate", "Selumetinib sulfate", "Selumetinib sulphate", "AZD-6244 HYD-SULFATE", "AZD-6244 HYDROGEN SULFATE", "AZD6244 HYD-SULFATE", "AZD6244 HYDROGEN SULFATE", "Koselugo", "Selumetinib sulfate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1089318", "category": ["biolink:ChemicalEntity"], "name": "OPICAPONE", "xref": ["InChIKey:ASOADIZOVZTJSR-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1"], "synonym": ["Opicapone", "Opicapone", "Opicapone", "Opicapone", "Opicapone", "Opicapona", "Opicapone", "Ongentys", "Opicapone", "BIA 9-1067", "BIA-9-1067", "BIA-91067", "Ongentys", "Ontilyv", "Opicapone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989937", "category": ["biolink:ChemicalEntity"], "name": "CAPMATINIB HYDROCHLORIDE", "xref": ["InChIKey:COWBUPJEEDYWKD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.Cl.Cl.O"], "synonym": ["Capmatinib dihydrochloride monohydrate", "Capmatinib hydrochloride", "Capmatinib hydrochloride", "Capmatinib hydrochloride hydrate", "Capmatinib hydrochloride monohydrate", "NVP-INC280-AAA", "Tabrecta", "Capmatinib hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594292", "category": ["biolink:ChemicalEntity"], "name": "TEPOTINIB HYDROCHLORIDE", "xref": ["InChIKey:KZVOMLRKFJUTLK-UHFFFAOYSA-N", "SMILES:CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1.Cl.O"], "synonym": ["Tepotinib hydrochloride", "Tepotinib hydrochloride monohydrate", "Tepotinib hydrochloride", "Tepotinib hydrochloride hydrate", "Msc2156119j", "Tepotinib hydrochloride", "MSC2156119J", "Tepmetko", "Tepotinib hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297666", "category": ["biolink:ChemicalEntity"], "name": "OMIDENEPAG ISOPROPYL", "xref": ["InChIKey:VIQCWEGEHRBLAC-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1"], "synonym": ["Omidenepag isopropyl", "Omidenepag isopropyl", "De-117", "Omidenepag isopropyl", "DE-117", "Omlonti", "Omidenepag isopropyl"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297258", "category": ["biolink:ChemicalEntity"], "name": "FIRMONERTINIB", "xref": ["InChIKey:GHKOONMJXNWOIW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OCC(F)(F)F)nc1N(C)CCN(C)C"], "synonym": ["Firmonertinib", "Firmonertinib", "Firmonertinib", "Alflutinib", "Firmonertinib", "Furmonertinib", "AFU", "AST-2818", "AST2818", "Firmonertinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297574", "category": ["biolink:ChemicalEntity"], "name": "TEPRASIRAN", "synonym": ["Teprasiran", "Qpi-1002", "Teprasiran", "I5-NP", "I5NP", "QPI-1002", "Teprasiran"]}
{"id": "CHEMBL.TARGET:CHEMBL4622827", "category": ["biolink:NucleicAcidEntity"], "name": "p53 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297601", "category": ["biolink:ChemicalEntity"], "name": "ROCACETRAPIB", "xref": ["InChIKey:GBHPDJQHZADVAA-SOKVYYICSA-N", "SMILES:COc1cc(F)c(C(C)C)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1"], "synonym": ["Rocacetrapib", "Ckd-519", "Rocacetrapib", "CKD-519"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105804", "category": ["biolink:ChemicalEntity"], "name": "IMPLITAPIDE", "xref": ["InChIKey:AMNXBQPRODZJQR-DITALETJSA-N", "SMILES:Cc1cc(C)c2c3ccccc3n(Cc3cccc([C@@H](C(=O)N[C@@H](CO)c4ccccc4)C4CCCC4)c3)c2n1"], "synonym": ["Implitapide", "Implitapida", "Implitapide", "BAY-13-9952"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3990033", "category": ["biolink:ChemicalEntity"], "name": "INCLISIRAN", "synonym": ["Inclisiran", "Inclisiran", "Inclisiran", "Leqvio", "ALN-60212", "ALN-PCSSC", "ALN-PSCsc", "Inclisiran"]}
{"id": "CHEMBL.TARGET:CHEMBL4630662", "category": ["biolink:NucleicAcidEntity"], "name": "PCSK9 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL321582", "category": ["biolink:ChemicalEntity"], "name": "BUCINDOLOL", "xref": ["InChIKey:FBMYKMYQHCBIGU-UHFFFAOYSA-N", "SMILES:CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N"], "synonym": ["Bucindolol", "Bucindolol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594419", "category": ["biolink:ChemicalEntity"], "name": "BMS-813160", "xref": ["InChIKey:CMVHFGNTABZQJU-HCXYKTFWSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O"], "synonym": ["Bms 813160", "Bms-813160", "BMS-813160"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107457", "category": ["biolink:ChemicalEntity"], "name": "ITOPRIDE", "xref": ["InChIKey:QQQIECGTIMUVDS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC"], "synonym": ["Itopride", "Itopride", "Itoprida", "Itopride", "Itopride", "NSC-759643"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL497939", "category": ["biolink:ChemicalEntity"], "name": "CYTISINICLINE", "xref": ["InChIKey:ANJTVLIZGCUXLD-DTWKUNHWSA-N", "SMILES:O=c1cccc2n1C[C@@H]1CNC[C@H]2C1"], "synonym": ["Cytisine", "Cytisinicline", "Citisiniclina", "Cytisine", "Baptitoxine", "Cytisine", "Cytisinicline", "Cytiton", "Sophorine", "Ulexine", "6039 Sopharma", "NSC-407282", "Tabex", "Cytisinicline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108375", "category": ["biolink:ChemicalEntity"], "name": "DUTEPLASE", "synonym": ["Duteplase", "Duteplasa", "Tissue plasminogen activator duteplase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108426", "category": ["biolink:ChemicalEntity"], "name": "MONTEPLASE", "synonym": ["Monteplase", "Monteplasa", "Monteplase", "Monteplase", "Cleactor", "Monteplase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108499", "category": ["biolink:ChemicalEntity"], "name": "LANOTEPLASE", "synonym": ["Lanoteplase", "Lanoteplasa", "7-l-glutamine-245-l-methionine", "BMS-200980", "SUN 9216", "SUN-9216", "Lanoteplase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108072", "category": ["biolink:ChemicalEntity"], "name": "PAMITEPLASE", "synonym": ["Pamiteplase", "Pamiteplasa", "Solinase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108361", "category": ["biolink:ChemicalEntity"], "name": "AMEDIPLASE", "synonym": ["Amediplase", "Amediplasa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298124", "category": ["biolink:ChemicalEntity"], "name": "DOSTARLIMAB", "synonym": ["Dostarlimab", "Dostarlimab", "Dostarlimab-gxly", "Dostarlimab", "Dostarlimab", "Dostarlimab gxly", "Tsr 042", "Tsr-042", "Tsr042", "GSK-4057190", "GSK4057190", "TSR-042", "WBP-285", "WBP285", "Jemperli", "Dostarlimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297715", "category": ["biolink:ChemicalEntity"], "name": "CAMRELIZUMAB", "synonym": ["Camrelizumab", "Camrelizumab", "Carilizumab", "Carrelizumab", "Shr-1210", "SHR-1210"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594550", "category": ["biolink:ChemicalEntity"], "name": "SERPLULIMAB", "synonym": ["Serplulimab", "Serplulimab", "Hlx10", "Serplulimab", "HLX-10", "HLX10"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298037", "category": ["biolink:ChemicalEntity"], "name": "RETIFANLIMAB", "synonym": ["Retifanlimab", "Retifanlimab", "Retifanlimab", "Retifanlimab-dlwr", "Retifanlimab", "Incmga00012", "Mga012", "Retifanlimab", "Retifanlimab-dlwr", "Zynyz", "AEX-1188", "AEX1188", "INCMGA-00012", "INCMGA-0012", "INCMGA00012", "MGA-012", "MGA012", "Zynyz", "Retifanlimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297831", "category": ["biolink:ChemicalEntity"], "name": "SPARTALIZUMAB", "synonym": ["Spartalizumab", "Espartalizumab", "Pdr001", "Spartalizumab", "ANTI-PD1 MONOCLONAL ANTIBODY PDR001", "NVP-LZV184", "PDR-001", "PDR001", "Spartalizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298191", "category": ["biolink:ChemicalEntity"], "name": "SASANLIMAB", "synonym": ["Sasanlimab", "Sasanlimab", "PF-06801591", "RN-888", "Sasanlimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297829", "category": ["biolink:ChemicalEntity"], "name": "SINTILIMAB", "synonym": ["Sintilimab", "Ibi308", "Sintilimab", "ANTI-PD-1 MONOCLONAL ANTIBODY IBI308", "IBI-308", "IBI308", "Tyvyt", "Sintilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297877", "category": ["biolink:ChemicalEntity"], "name": "BALSTILIMAB", "synonym": ["Balstilimab", "Agen2034", "Balstilimab", "AGEN-2034", "AGEN2034", "Balstilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594535", "category": ["biolink:ChemicalEntity"], "name": "SUGEMALIMAB", "synonym": ["Sugemalimab", "Sugemalimab", "Sugemalimab", "Cs1001", "Sugemalimab", "CS-1001", "CS1001", "WBP-315", "WBP315", "Cejemly"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298024", "category": ["biolink:ChemicalEntity"], "name": "BINTRAFUSP ALFA", "synonym": ["Bintrafusp alfa", "Bintrafusp alfa", "M7824", "Msb0011359c", "8L9YQ2N6PA", "M-7824", "M7824", "MSB-0011359C", "MSB0011359C", "Bintrafusp alfa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594456", "category": ["biolink:ChemicalEntity"], "name": "CADONILIMAB", "synonym": ["Cadonilimab", "Ak-104", "Ak104", "Cadonilimab", "AK-104", "AK104", "Cadonilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297436", "category": ["biolink:ChemicalEntity"], "name": "SRT-2104", "xref": ["InChIKey:LAMQVIQMVKWXOC-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1"], "synonym": ["Srt-2104", "Srt2104", "SRT2104"], "chembl_natural_product": true}
{"name": "NAD-dependent protein deacetylase sirtuin-1", "xref": ["CHEMBL.TARGET:CHEMBL4506"], "id": "UniProtKB:Q96EB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297674", "category": ["biolink:ChemicalEntity"], "name": "BRANEBRUTINIB", "xref": ["InChIKey:VJPPLCNBDLZIFG-ZDUSSCGKSA-N", "SMILES:CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1"], "synonym": ["Branebrutinib", "Bms-986195", "Branebrutinib", "BMS-986195", "Branebrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786098", "category": ["biolink:ChemicalEntity"], "name": "PF-06459988", "xref": ["InChIKey:ODMXWZROLKITMS-RISCZKNCSA-N", "SMILES:C=CC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)[C@@H](OC)C1"], "synonym": ["Pf-06459988", "PF-06459988"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269258", "category": ["biolink:ChemicalEntity"], "name": "CE-326597", "xref": ["InChIKey:UBNMGTSDHSQBEL-PMERELPUSA-N", "SMILES:CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21"], "synonym": ["Ce-326,597", "Ce-326597", "CE-326,597"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297713", "category": ["biolink:ChemicalEntity"], "name": "CABIRALIZUMAB", "synonym": ["Cabiralizumab", "Cabiralizumab", "Fpa-008", "Fpa008"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707294", "category": ["biolink:ChemicalEntity"], "name": "DEPATUXIZUMAB", "synonym": ["Depatuxizumab", "Anti-egfr mab abt-806", "Anti-egfr moab abt-806", "Depatuxizumab", "ABT-806", "Depatuxizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989970", "category": ["biolink:ChemicalEntity"], "name": "MAVELERTINIB", "xref": ["InChIKey:JYIUNVOCEFIUIU-GHMZBOCLSA-N", "SMILES:C=CC(=O)N[C@@H]1CN(c2nc(Nc3cn(C)nc3OC)c3ncn(C)c3n2)C[C@H]1F"], "synonym": ["Mavelertinib", "Egfr t790m inhibitor pf-06747775", "Mavelertinib", "PF-06747775", "Mavelertinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3663929", "category": ["biolink:ChemicalEntity"], "name": "NAQUOTINIB", "xref": ["InChIKey:QKDCLUARMDUUKN-XMMPIXPASA-N", "SMILES:C=CC(=O)N1CC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1"], "synonym": ["Naquotinib", "Naquotinib", "ASP-8273", "ASP8273", "Naquotinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108324", "category": ["biolink:ChemicalEntity"], "name": "OBLIMERSEN", "synonym": ["Oblimersen", "Oblimersen", "Oblimersen"]}
{"id": "CHEMBL.TARGET:CHEMBL4622828", "category": ["biolink:NucleicAcidEntity"], "name": "Bcl-2 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108280", "category": ["biolink:ChemicalEntity"], "name": "CENERSEN", "synonym": ["Cenersen", "Cenersen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297739", "category": ["biolink:ChemicalEntity"], "name": "DANVATIRSEN", "synonym": ["Danvatirsen", "Azd9150", "Danvatirsen", "AZD 9150", "AZD-9150", "AZD9150", "ISIS-481464", "ISIS-STAT3RX", "Danvatirsen"]}
{"id": "CHEMBL.TARGET:CHEMBL4622829", "category": ["biolink:NucleicAcidEntity"], "name": "STAT-3 mRNA 3'UTR"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297776", "category": ["biolink:ChemicalEntity"], "name": "LEFITOLIMOD", "synonym": ["Lefitolimod", "Lefitolimod", "MGN-1703", "TLR9 AGONIST MGN1703"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298067", "category": ["biolink:ChemicalEntity"], "name": "TOMARALIMAB", "synonym": ["Tomaralimab", "Opn 305", "Opn-305", "Tomaralimab", "OPN-305", "Tomaralimab"]}
{"name": "Toll-like receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4163"], "id": "UniProtKB:O60603", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707347", "category": ["biolink:ChemicalEntity"], "name": "VERINURAD", "xref": ["InChIKey:YYBOLPLTQDKXPM-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O"], "synonym": ["Verinurad", "Verinurad", "RDEA-3170", "RDEA3170", "Verinurad"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2403238", "category": ["biolink:ChemicalEntity"], "name": "CABOTEGRAVIR", "xref": ["InChIKey:WCWSTNLSLKSJPK-LKFCYVNXSA-N", "SMILES:C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12"], "synonym": ["Cabotegravir", "Cabotegravir", "Cabotegravir", "Cabotegravir", "Cabotegravir", "Cabotegravir", "Gsk-1265744", "Gsk744", "GSK-1265744A", "GSK1265744", "GSK1265744A", "GSK744", "S-265744", "Apretude", "Cabotegravir component of cabenuva", "Cabotegravir"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298169", "category": ["biolink:ChemicalEntity"], "name": "TROPIFEXOR", "xref": ["InChIKey:VYLOOGHLKSNNEK-PIIMJCKOSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1"], "synonym": ["Tropifexor", "Tropifexor", "LJN-452", "LJN452", "NVP-LJN452-NXA", "Tropifexor"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297626", "category": ["biolink:ChemicalEntity"], "name": "NIDUFEXOR", "xref": ["InChIKey:JYTIXGYXBIBOMN-UHFFFAOYSA-N", "SMILES:Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)c2c1-c1cc(Cl)ccc1OC2"], "synonym": ["Nidufexor", "Lmb763", "Nidufexor", "LMB763"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297613", "category": ["biolink:ChemicalEntity"], "name": "CILOFEXOR", "xref": ["InChIKey:KZSKGLFYQAYZCO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1"], "synonym": ["Cilofexor", "Cilofexor", "Gs-9674", "GS 9674", "GS-9674", "PX-104", "PX104"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297383", "category": ["biolink:ChemicalEntity"], "name": "GSK-1521498", "xref": ["InChIKey:WIEDUMBCZQRGSY-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cccc(-c3nc[nH]n3)c2)cc(F)c1CNC1Cc2ccccc2C1"], "synonym": ["Gsk-1521498", "Gsk1521498", "GSK1521498", "GSK1521498H"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989927", "category": ["biolink:ChemicalEntity"], "name": "IBERDOMIDE", "xref": ["InChIKey:IXZOHGPZAQLIBH-NRFANRHFSA-N", "SMILES:O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1"], "synonym": ["Iberdomide", "Iberdomida", "Iberdomide", "CC-220", "Iberdomide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297578", "category": ["biolink:ChemicalEntity"], "name": "PEGBELFERMIN", "synonym": ["Pegbelfermin", "Pegbelfermine", "Pegbelfermina", "Bms-986036", "Peg-fgf21", "Pegbelfermin", "ARX-618", "BMS-986036", "Pegbelfermin"]}
{"id": "CHEMBL.TARGET:CHEMBL4630720", "category": ["biolink:MacromolecularComplex"], "name": "FGF1/KLB"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297477", "category": ["biolink:ChemicalEntity"], "name": "BREPOCITINIB", "xref": ["InChIKey:BUWBRTXGQRBBHG-MJBXVCDLSA-N", "SMILES:Cn1cc(Nc2nccc(N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1"], "synonym": ["Brepocitinib", "Brepocitinib", "Pf-06700841", "PF-06700841", "Brepocitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594444", "category": ["biolink:ChemicalEntity"], "name": "PECAVAPTAN", "xref": ["InChIKey:AZXOTZCWQDJCLY-SJCJKPOMSA-N", "SMILES:C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1"], "synonym": ["Pecavaptan", "Bay 1753011", "Pecavaptan", "BAY 1753011", "BAY-1753011"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297596", "category": ["biolink:ChemicalEntity"], "name": "FULACIMSTAT", "xref": ["InChIKey:JDARDSVOVYVQST-MRXNPFEDSA-N", "SMILES:Cn1c(=O)oc2cc(-n3cc(C(=O)O)c(=O)n([C@@H]4CCc5c4cccc5C(F)(F)F)c3=O)ccc21"], "synonym": ["Fulacimstat", "Bay1142524", "Fulacimstat", "BAY-1142524", "BAY1142524"]}
{"name": "Chymase", "xref": ["CHEMBL.TARGET:CHEMBL4068"], "id": "UniProtKB:P23946", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297483", "category": ["biolink:ChemicalEntity"], "name": "NAVAFENTEROL", "xref": ["InChIKey:ZNKWRAKPQQZLNX-ZDQHWEPJSA-N", "SMILES:CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1"], "synonym": ["Navafenterol", "Azd 8871", "Azd8871", "Navafenterol", "AZD-8871", "AZD8871", "LAS-191351", "LAS191351", "Navafenterol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2141296", "category": ["biolink:ChemicalEntity"], "name": "IXAZOMIB", "xref": ["InChIKey:MXAYKZJJDUDWDS-LBPRGKRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O"], "synonym": ["Ixazomib", "Ixazomib", "Ixazomib", "Ixazomib", "Ixazomib", "MLN-2238", "MLN-9708 FREE BASE", "MLN2238", "Ixazomib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3644587", "category": ["biolink:ChemicalEntity"], "name": "2X-121", "xref": ["InChIKey:JLFSBHQQXIAQEC-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2c3c(cccc13)N=C(CN1Cc3ccccc3C1)N2"], "synonym": ["2x-121", "E7449", "Parp inhibitor 2x-121", "Stenoparib", "2X-121", "E-7449", "E7449"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298172", "category": ["biolink:ChemicalEntity"], "name": "SOTICLESTAT", "xref": ["InChIKey:XKUZMIUSBMCVPP-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1"], "synonym": ["Soticlestat", "Soticlestat", "OV-935", "OV935", "TAK-935", "TAK935", "Soticlestat"]}
{"name": "Cholesterol 24-hydroxylase", "xref": ["CHEMBL.TARGET:CHEMBL4523510"], "id": "UniProtKB:Q9Y6A2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297630", "category": ["biolink:ChemicalEntity"], "name": "COTADUTIDE", "xref": ["InChIKey:YEKUUBPJRPXMBM-PTCFZACGSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)O)C(C)C)C(=O)O"], "synonym": ["Cotadutide", "Cotadutida", "Cotadutide", "Medi 0382", "Medi0382", "MEDI-0382", "MEDI0382", "Cotadutide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236936", "category": ["biolink:ChemicalEntity"], "name": "CINACIGUAT", "xref": ["InChIKey:WPYWMXNXEZFMAK-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1"], "synonym": ["Cinaciguat", "Cinaciguat", "Cinaciguat", "BAY 58-2667"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297214", "category": ["biolink:ChemicalEntity"], "name": "PRALICIGUAT", "xref": ["InChIKey:CYSJNTQNMDWAJV-UHFFFAOYSA-N", "SMILES:OC(CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)(C(F)(F)F)C(F)(F)F"], "synonym": ["Praliciguat", "Praliciguat", "IW-1973", "Praliciguat"]}
{"id": "CHEMBL.TARGET:CHEMBL3038515", "category": ["biolink:ProteinFamily"], "name": "Tankyrase 1/2"}
{"id": "CHEMBL.COMPOUND:CHEMBL3317856", "category": ["biolink:ChemicalEntity"], "name": "GEPOTIDACIN", "xref": ["InChIKey:PZFAZQUREQIODZ-LJQANCHMSA-N", "SMILES:O=c1ccc2ncc(=O)n3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCC3)CC1"], "synonym": ["Gepotidacin", "Gepotidacin", "Gepotidacine", "Gepotidacina", "Gepotidacin", "GSK-2140944", "GSK2140944", "Gepotidacin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2158685", "category": ["biolink:ChemicalEntity"], "name": "ABC-294640", "xref": ["InChIKey:CAOTVXGYTWCKQE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2"], "synonym": ["Opaganib", "Abc-294640", "Abc294640", "Opaganib", "ABC 294640"], "chembl_natural_product": true}
{"name": "Sphingosine kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL3023"], "id": "UniProtKB:Q9NRA0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297599", "category": ["biolink:ChemicalEntity"], "name": "ASPACYTARABINE", "xref": ["InChIKey:PVPJTBAEAQVTPN-HRAQMCAYSA-N", "SMILES:N[C@@H](CC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1)C(=O)O"], "synonym": ["Aspacytarabine", "Aspacitarabina", "Aspacytarabine", "Astarabine", "Bst-236", "BST-236", "Aspacytarabine"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3417258", "category": ["biolink:ChemicalEntity"], "name": "LUMICITABINE", "xref": ["InChIKey:MJVKYGMNSQJLIN-KYZVSKTDSA-N", "SMILES:CC(C)C(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)C(C)C"], "synonym": ["Lumicitabine", "Lumicitabina", "Als-8176", "Lumicitabine", "ALS-008176", "Lumicitabine"], "chembl_prodrug": true}
{"name": "RNA-directed RNA polymerase L", "xref": ["CHEMBL.TARGET:CHEMBL4630897"], "id": "UniProtKB:P28887", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11259"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1189025", "category": ["biolink:ChemicalEntity"], "name": "BROSTALLICIN", "xref": ["InChIKey:RXOVOXFAAGIKDQ-UHFFFAOYSA-N", "SMILES:C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCNC(=N)N)n(C)c4)n(C)c3)n(C)c2)n(C)c1"], "synonym": ["Brostallicin", "Brostallicine", "Brostalicina", "Brostallicin", "Brostallicin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3219616", "category": ["biolink:ChemicalEntity"], "name": "CP-866087", "xref": ["InChIKey:ZBVPUFSKFGYNLC-FIDNPTQWSA-N", "SMILES:CC[C@]1(c2cccc(NS(C)(=O)=O)c2)[C@@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]21"], "synonym": ["Cp-866,087", "Cp-866087", "CP-866,087"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2110737", "category": ["biolink:ChemicalEntity"], "name": "CELGOSIVIR", "xref": ["InChIKey:HTJGLYIJVSDQAE-VWNXEWBOSA-N", "SMILES:CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O"], "synonym": ["Celgosivir", "Celgosivir"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3182343", "category": ["biolink:ChemicalEntity"], "name": "PIVAMPICILLIN", "xref": ["InChIKey:ZEMIJUDPLILVNQ-ZXFNITATSA-N", "SMILES:CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C"], "synonym": ["Pivampicillin", "Pivampicillin", "Pivampicillin", "Pivampicillin", "Pivampicilline", "Pivampicilina", "MK-191", "Pondocillin"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594246", "category": ["biolink:ChemicalEntity"], "name": "SULOPENEM ETZADROXIL", "xref": ["InChIKey:NBPVNGWRLGHULH-JKOUTOBWSA-N", "SMILES:CCC(CC)C(=O)OCOC(=O)C1=C(S[C@H]2CC[S+]([O-])C2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12"], "synonym": ["Sulopenem etzadroxil", "Sulopenem etzadroxil", "PF-03709270", "PF03709270", "Sulopenem etzadroxil component of orlynvah", "Sulopenem etzadroxil"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1921847", "category": ["biolink:ChemicalEntity"], "name": "ATICAPRANT", "xref": ["InChIKey:ZHPMYDSXGRRERG-DEOSSOPVSA-N", "SMILES:Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1"], "synonym": ["Aticaprant", "Aticaprant", "Cerc-501", "Jnj-67953964", "Ly2456302", "CERC-501", "JNJ-67953964-AAA", "JSPA-0658", "JSPA0658", "LY-2456302", "LY2456302", "Aticaprant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1190199", "category": ["biolink:ChemicalEntity"], "name": "ASIMADOLINE", "xref": ["InChIKey:JHLHNYVMZCADTC-LOSJGSFVSA-N", "SMILES:CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1"], "synonym": ["Asimadoline", "Asimadolina", "Asimadoline", "Asimadoline", "EMD-61753"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2096895", "category": ["biolink:ChemicalEntity"], "name": "PRADEFOVIR", "xref": ["InChIKey:GWNHAOBXDGOXRR-HJFSHJIFSA-N", "SMILES:Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1"], "synonym": ["Pradefovir"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL515564", "category": ["biolink:ChemicalEntity"], "name": "TENOFOVIR EXALIDEX", "xref": ["InChIKey:SCTJKHUUZLXJIP-RUZDIDTESA-N", "SMILES:CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"], "synonym": ["Tenofovir exalidex", "Cmx157", "Hdp-tenofovir", "Hexadecyloxypropyl tenofovir", "Tenofovir exalidex", "CMX-157", "CMX157"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594257", "category": ["biolink:ChemicalEntity"], "name": "ROVAFOVIR ETALAFENAMIDE", "xref": ["InChIKey:OCJRRXHWPBXZSU-BNCZGPJRSA-N", "SMILES:CCOC(=O)[C@H](C)N[P@](=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c(N)ncnc32)O1)Oc1ccccc1"], "synonym": ["Rovafovir etalafenamide", "Rovafovir etalafenamida", "Gs-9131", "Rovafovir etalafenamide", "GS-9131", "GS-9148 PHOSPHONOAMIDATE PRODRUG", "GS9131", "Rovafovir etalafenamide"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4592045", "category": ["biolink:ChemicalEntity"], "name": "NAVACAPRANT", "xref": ["InChIKey:CQOJHAJWCDJEAT-UHFFFAOYSA-N", "SMILES:CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1"], "synonym": ["Navacaprant", "Navacaprant", "Navacaprant", "Btrx-335140", "Navacaprant", "Nmra-335140", "BTRX-140", "BTRX-335140", "BTRX335140", "CYM-53093", "CYM53093", "NMRA-140", "NMRA-335140", "NMRA335140", "Navacaprant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989865", "category": ["biolink:ChemicalEntity"], "name": "MIPSAGARGIN", "xref": ["InChIKey:UPYNTAIBQVNPIH-ODMLWHIESA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O"], "synonym": ["Mipsagargin", "Mipsagargine", "Mipsagargina", "Mipsagargin", "G-202", "Mipsagargin"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3831290", "category": ["biolink:ProteinFamily"], "name": "Sarcoplasmic/endoplasmic reticulum calcium ATPase"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989915", "category": ["biolink:ChemicalEntity"], "name": "DIFELIKEFALIN", "xref": ["InChIKey:FWMNVWWHGCHHJJ-SKKKGAJSSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1"], "synonym": ["Difelikefalin", "Difelikefalin", "Difelikefaline", "Difelicefalina", "Difelikefalin", "4-PIPERIDINECARBOXYLIC ACID, N1-(D-PHENYLALANYL-D-PHENYLALANYL-D-LEUCYL-D-LYSYL)-4-AMINO-", "CR-845", "CR845", "FE-202845", "FE202845", "MR-13A9", "MR13A9", "Difelikefalin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL484", "category": ["biolink:ChemicalEntity"], "name": "ADEFOVIR", "xref": ["InChIKey:SUPKOOSCJHTBAH-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCOCP(=O)(O)O"], "synonym": ["Adefovir", "Adefovir", "Adefovir", "Adefovir", "GS 0393", "GS-0393", "GS0393", "Adefovir"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062774", "category": ["biolink:ChemicalEntity"], "name": "VAPENDAVIR", "xref": ["InChIKey:DKSVBVKHUICELN-UHFFFAOYSA-N", "SMILES:CCOc1noc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12"], "synonym": ["Vapendavir", "Bta798", "Vapendavir", "BTA-798", "BTA798"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269597", "category": ["biolink:ChemicalEntity"], "name": "SCY 635", "xref": ["InChIKey:AQHMBDAHQGYLIU-XNFHFXFQSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCN(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "synonym": ["Scy 635", "SCY-635"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3818875", "category": ["biolink:ChemicalEntity"], "name": "GSK2256294", "xref": ["InChIKey:LQHDJQIMETZMPH-ZBFHGGJFSA-N", "SMILES:CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1"], "synonym": ["Gsk2256294", "GSK-2256294", "GSK-2256294A"]}
{"name": "Bifunctional epoxide hydrolase 2", "xref": ["CHEMBL.TARGET:CHEMBL2409"], "id": "UniProtKB:P34913", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419792", "category": ["biolink:ChemicalEntity"], "name": "SUMANIROLE", "xref": ["InChIKey:RKZSNTNMEFVBDT-MRVPVSSYSA-N", "SMILES:CN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1"], "synonym": ["Sumanirole", "Sumanirol", "Pnu-95666", "Sumanirole", "PNU-95666E"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3121539", "category": ["biolink:ChemicalEntity"], "name": "RADALBUVIR", "xref": ["InChIKey:MUICUPWICXUNRS-GDCCIXDYSA-N", "SMILES:CC1=CC[C@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@H]2CC[C@](O)(CO[C@H]3CCOC3)CC2)CC1"], "synonym": ["Radalbuvir", "Gs-9669", "Radalbuvir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL549344", "category": ["biolink:ChemicalEntity"], "name": "CPG-52852", "xref": ["InChIKey:YZOQZEXYFLXNKA-UHFFFAOYSA-N", "SMILES:CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O"], "synonym": ["Cpg-52852", "852A", "PF-4878691"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2153191", "category": ["biolink:ChemicalEntity"], "name": "AZD-4017", "xref": ["InChIKey:NCDZABJPWMBMIQ-INIZCTEOSA-N", "SMILES:CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"], "synonym": ["Azd 4017", "Azd-4017", "AZD4017"]}
{"name": "11-beta-hydroxysteroid dehydrogenase 1", "xref": ["CHEMBL.TARGET:CHEMBL4235"], "id": "UniProtKB:P28845", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1187417", "category": ["biolink:ChemicalEntity"], "name": "BENZALKONIUM", "xref": ["InChIKey:VVZBFOKBSDGVGZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"], "synonym": ["Benzalkonium", "Benzalkonium cation", "Benzalkonium ion"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1256722", "category": ["biolink:ChemicalEntity"], "name": "RAZUPENEM", "xref": ["InChIKey:XFGOMLIRJYURLQ-GOKYHWASSA-N", "SMILES:C[C@H]1C=C(c2csc(SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)n2)CN1"], "synonym": ["Razupenem", "Razupenem", "PTZ-601", "PTZ601", "PZ-601", "PZ601", "SM-216601", "SM216601", "SMP-601", "SMP601", "Razupenem"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL556262", "category": ["biolink:ChemicalEntity"], "name": "FAROPENEM", "xref": ["InChIKey:HGGAKXAHAYOLDJ-FHZUQPTBSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12"], "synonym": ["Faropenem", "Faropenem", "Faropenem", "Faropenem", "Fropenem"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1908305", "category": ["biolink:ChemicalEntity"], "name": "SULOPENEM", "xref": ["InChIKey:FLSUCZWOEMTFAQ-PRBGKLEPSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[S@@+]([O-])C3)S[C@H]12"], "synonym": ["Sulopenem", "Sulopenem", "CP-70,429", "CP-70429", "Sulopenem"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3410450", "category": ["biolink:ChemicalEntity"], "name": "PRESATOVIR", "xref": ["InChIKey:GOFXWTVKPWJNGD-UWJYYQICSA-N", "SMILES:Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1"], "synonym": ["Presatovir", "Presatovir", "GS-5806", "Presatovir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297616", "category": ["biolink:ChemicalEntity"], "name": "OLINCIGUAT", "xref": ["InChIKey:YWQFJNWMWZMXRW-HXUWFJFHSA-N", "SMILES:NC(=O)[C@](O)(CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C(F)(F)F"], "synonym": ["Olinciguat", "Iw-1701", "Olinciguat", "IW-1701", "IW1701", "Olinciguat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761322", "category": ["biolink:ChemicalEntity"], "name": "MK-0736", "xref": ["InChIKey:ORQZQBUNAMJFCY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)CCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2"], "synonym": ["Mk-0736", "Mk0736", "MK0736"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081711", "category": ["biolink:ChemicalEntity"], "name": "ZIMLOVISERTIB", "xref": ["InChIKey:JKDGKIBAOAFRPJ-ZBINZKHDSA-N", "SMILES:CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12"], "synonym": ["Zimlovisertib", "Pf 06650833", "Pf-06650833", "Zimlovisertib", "PF-06650833", "Zimlovisertib"]}
{"name": "Interleukin-1 receptor-associated kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL3778"], "id": "UniProtKB:Q9NWZ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297320", "category": ["biolink:ChemicalEntity"], "name": "PL-3994", "xref": ["InChIKey:HSHVZRILAMZYHY-WXSGKXQHSA-N", "SMILES:CCCCCCC(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@H](C(N)=O)NC(=O)[C@@H]2CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"], "synonym": ["Pl-3994"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989968", "category": ["biolink:ChemicalEntity"], "name": "DIFAMILAST", "xref": ["InChIKey:VFBILHPIHUPBPZ-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1"], "synonym": ["Difamilast", "Difamilast", "OPA-15406", "Difamilast"]}
{"id": "CHEMBL.COMPOUND:CHEMBL169896", "category": ["biolink:ChemicalEntity"], "name": "OSI-7904", "xref": ["InChIKey:BRVFNEZMTRVUGW-QFIPXVFZSA-N", "SMILES:Cc1nc2ccc3ccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)O)C(=O)O)C5=O)cc3c2c(=O)[nH]1"], "synonym": ["Gs-7904", "Gw-1843", "Osi 7904", "Osi 7904l", "Osi-7904", "Osi-7904l", "BW-1843", "BW1843", "GS7904", "OSI-7904L", "TCMDC-131928"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483", "category": ["biolink:ChemicalEntity"], "name": "TENOFOVIR ANHYDROUS", "xref": ["InChIKey:SGOIRFVFHAKUTI-ZCFIWIBFSA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O"], "synonym": ["Tenofovir anhydrous", "GS-1275"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297300", "category": ["biolink:ChemicalEntity"], "name": "LB-100", "xref": ["InChIKey:JUQMLSGOTNKJKI-IZUQBHJASA-N", "SMILES:CN1CCN(C(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)CC1"], "synonym": ["Lb-100", "LB 100"]}
{"name": "Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform", "xref": ["CHEMBL.TARGET:CHEMBL4703"], "id": "UniProtKB:P67775", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990014", "category": ["biolink:ChemicalEntity"], "name": "MIRIKIZUMAB", "synonym": ["Mirikizumab", "Mirikizumab", "Mirikizumab", "Mirikizumab-mrkz", "Mirikizumab", "Mirikizumab", "LY-3074828", "LY3074828", "Omvoh", "Mirikizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297791", "category": ["biolink:ChemicalEntity"], "name": "MVT-5873", "synonym": ["Mvt 5873", "Mvt-5873", "HUMAB-5B1", "MVT-5873"]}
{"id": "CHEMBL.TARGET:CHEMBL4632351", "category": ["biolink:MolecularEntity"], "name": "Sialyl Lewis A (CA19-9)"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297985", "category": ["biolink:ChemicalEntity"], "name": "MAGROLIMAB", "synonym": ["Magrolimab", "Hu5f9 g4", "Hu5f9-g4", "Magrolimab", "Hu5F9-G4", "Magrolimab"]}
{"name": "Leukocyte surface antigen CD47", "xref": ["CHEMBL.TARGET:CHEMBL3714583"], "id": "UniProtKB:Q08722", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298127", "category": ["biolink:ChemicalEntity"], "name": "VRC-01LS", "synonym": ["Vrc-01ls", "Vrc-hivmab080-00-ab", "Vrc01ls", "VRC-01LS", "VRC01LS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297743", "category": ["biolink:ChemicalEntity"], "name": "ELEZANUMAB", "synonym": ["Elezanumab", "Abt-555", "Elezanumab", "ABT-555", "AE12-1Y-QL", "PR-1432051", "Elezanumab"]}
{"name": "Repulsive guidance molecule A", "xref": ["CHEMBL.TARGET:CHEMBL4630886"], "id": "UniProtKB:Q96B86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297863", "category": ["biolink:ChemicalEntity"], "name": "REMTOLUMAB", "synonym": ["Remtolumab", "Abt-122", "Remtolumab", "A-1230717", "ABT-122"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297556", "category": ["biolink:ChemicalEntity"], "name": "MM-111", "synonym": ["Mm 111", "Mm-111"]}
{"id": "CHEMBL.TARGET:CHEMBL4630723", "category": ["biolink:MacromolecularComplex"], "name": "ErbB-2/ErbB-3 heterodimer"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297820", "category": ["biolink:ChemicalEntity"], "name": "ROZANOLIXIZUMAB", "synonym": ["Rozanolixizumab", "Rozanolixizumab", "Rozanolixizumab", "Rozanolixizumab-noli", "Rozanolixizumab", "Rozanolixizumab", "Ucb7665", "UCB-7665", "UCB7665", "Rystiggo", "Rozanolixizumab"], "chembl_availability_type": "prescription only"}
{"name": "IgG receptor FcRn large subunit p51", "xref": ["CHEMBL.TARGET:CHEMBL5966"], "id": "UniProtKB:P55899", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297845", "category": ["biolink:ChemicalEntity"], "name": "TRU-015", "synonym": ["Pf-5212374", "Tru-015"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359265", "category": ["biolink:ChemicalEntity"], "name": "PF-05175157", "xref": ["InChIKey:BDXXSFOJPYSYOC-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2[nH]1"], "synonym": ["Pf-05175157"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3885507", "category": ["biolink:ProteinFamily"], "name": "Acetyl-CoA carboxylase"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297294", "category": ["biolink:ChemicalEntity"], "name": "JNJ-42165279", "xref": ["InChIKey:YWGYNGCRVZLMCS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1Cl)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1"], "synonym": ["Jnj-42165279"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912251", "category": ["biolink:ChemicalEntity"], "name": "ONO-8539", "xref": ["InChIKey:ALLLQQUASFFEKP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)ccc1COc1cc2c(cc1N(CC(C)C)S(=O)(=O)c1nccs1)CCC2"], "synonym": ["Ono-8539", "ONO-8539"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437054", "category": ["biolink:ChemicalEntity"], "name": "RILEMATOVIR", "xref": ["InChIKey:GTQTUABHRCWVLL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)cc2cc(Cl)ccc21"], "synonym": ["Rilematovir", "Jnj-53718678", "Rilematovir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297926", "category": ["biolink:ChemicalEntity"], "name": "CJM-112", "synonym": ["Cjm 112", "Cjm-112", "Cjm112", "CJM-112", "CJM112"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3334824", "category": ["biolink:ChemicalEntity"], "name": "BMS-817399", "xref": ["InChIKey:GTDPZONCGOCXOD-JPYJTQIMSA-N", "SMILES:CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1"], "synonym": ["Bms-817399", "BMS-817399"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594569", "category": ["biolink:ChemicalEntity"], "name": "AMLITELIMAB", "synonym": ["Amlitelimab", "Amlitelimab", "Ky-1005", "Ky1005", "KY-1005", "KY-1005-2D10", "KY1005", "KY1005-2D10", "SAR-445229", "SAR445229", "Amlitelimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594531", "category": ["biolink:ChemicalEntity"], "name": "BI-836826", "synonym": ["Bi 836826", "Bi-836826", "Mab 37.1", "BI 836826", "BI-836826"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108356", "category": ["biolink:ChemicalEntity"], "name": "PEGDINETANIB", "synonym": ["Pegdinetanib", "Angiocept", "Ct-322", "Pegdinetanib", "BMS-844203", "CT-322", "VEGFR-2 INHIBITOR PEPTIDE CT-322", "Pegdinetanib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297562", "category": ["biolink:ChemicalEntity"], "name": "DKN-01", "synonym": ["Sirexatamab", "Dkn 01", "Dkn-01", "DKN-01", "DKN01", "LY-2812176", "LY2812176"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651534", "category": ["biolink:ChemicalEntity"], "name": "REDAFAMDASTAT", "xref": ["InChIKey:BATCTBJIJJEPHM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1"], "synonym": ["Redafamdastat", "Redafamdastat", "Redafamdastat", "Pf-04457845", "Redafamdastat", "PF-4457845"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297256", "category": ["biolink:ChemicalEntity"], "name": "ABT-384", "xref": ["InChIKey:CLHMYBJIOZXCEX-QIGVQZHLSA-N", "SMILES:CC(C)(C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1"], "synonym": ["Abt-384"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113734", "category": ["biolink:ChemicalEntity"], "name": "UK-500001", "xref": ["InChIKey:OHIUQAZROSYCMC-CALCHBBNSA-N", "SMILES:Cc1ccc(O)c(C(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(F)cnc3Oc3ccc(F)c(F)c3)CC2)c1"], "synonym": ["Uk-500,001", "Uk-500001"]}
{"name": "Phosphodiesterase isozyme 4", "xref": ["CHEMBL.TARGET:CHEMBL4523374"], "id": "UniProtKB:Q86V67", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989985", "category": ["biolink:ChemicalEntity"], "name": "RIBAXAMASE", "synonym": ["Ribaxamase", "Ribaxamasa", "Ribaxamase", "P3A", "SYN-004", "Ribaxamase"]}
{"id": "CHEMBL.TARGET:CHEMBL4630898", "category": ["biolink:SmallMolecule"], "name": "Beta-lactam antibiotics"}
{"id": "CHEMBL.COMPOUND:CHEMBL3219124", "category": ["biolink:ChemicalEntity"], "name": "AZD-1656", "xref": ["InChIKey:FJEJHJINOKKDCW-INIZCTEOSA-N", "SMILES:COC[C@H](C)Oc1cc(Oc2cnc(C(=O)N3CCC3)cn2)cc(C(=O)Nc2cnc(C)cn2)c1"], "synonym": ["Azd 1656", "Azd-1656", "Azd1656", "AZD1656"]}
{"name": "Hexokinase-4", "xref": ["CHEMBL.TARGET:CHEMBL3820"], "id": "UniProtKB:P35557", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594497", "category": ["biolink:ChemicalEntity"], "name": "SEPOFARSEN", "synonym": ["Sepofarsen", "Sepofarsen", "Qr-110", "Sepofarsen", "EW9I3PJC3R", "QR-110", "QR-110 FREE ACID", "Sepofarsen"]}
{"id": "CHEMBL.TARGET:CHEMBL4627240", "category": ["biolink:NucleicAcidEntity"], "name": "CEP290 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297794", "category": ["biolink:ChemicalEntity"], "name": "NEMOLIZUMAB", "synonym": ["Nemolizumab", "Nemolizumab", "Nemolizumab-ilto", "Nemolizumab", "Nemluvio", "Nemolizumab", "Nemolizumab-ilto", "CD14152", "CIM-331", "CIM331", "Nemluvio", "Nemolizumab"], "chembl_availability_type": "prescription only"}
{"name": "Interleukin-31 receptor subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4630894"], "id": "UniProtKB:Q8NI17", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594404", "category": ["biolink:ChemicalEntity"], "name": "RIFAQUIZINONE", "xref": ["InChIKey:OPZFMLLAJBIKAN-YSBZUPOXSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCC(N(C)C6([C@@H]7CCN(c8c(F)cn9c(=O)c(C(=O)O)cc(C%10CC%10)c9c8C)C7)CC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C"], "synonym": ["Rifaquizinone", "Rifaquizinone", "Rifaquizinona", "Cbr-2092", "Rifaquizinone", "Tnp-2092"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303404", "category": ["biolink:ChemicalEntity"], "name": "PELABRESIB", "xref": ["InChIKey:GCWIQUVXWZWCLE-INIZCTEOSA-N", "SMILES:Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O"], "synonym": ["Pelabresib", "Cpi 0610", "Cpi-0610", "Cpi-0610 anhydrous", "Pelabresib", "Pelabresib anhydrous", "Pelabresib monohydrate", "CPI-0610", "CPI-232", "CPI-267232", "Pelabresib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518483", "category": ["biolink:ChemicalEntity"], "name": "DANUGLIPRON", "xref": ["InChIKey:HYBAKUMPISVZQP-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"], "synonym": ["Danuglipron", "Danuglipron", "Pf-06882961", "PF-06882961", "Danuglipron"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072756", "category": ["biolink:ChemicalEntity"], "name": "AZD-5423", "xref": ["InChIKey:FCNQMDSJHADDFT-WNSKOXEYSA-N", "SMILES:COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)c1"], "synonym": ["Azd 5423", "Azd-5423", "Azd5423", "AZD5423"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108345", "category": ["biolink:ChemicalEntity"], "name": "TRABEDERSEN", "synonym": ["Trabedersen", "Trabedersen", "Trabedersen", "A-12009 FREE ACID"]}
{"id": "CHEMBL.TARGET:CHEMBL4622826", "category": ["biolink:NucleicAcidEntity"], "name": "Transforming growth factor beta-2 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4069597", "category": ["biolink:ChemicalEntity"], "name": "PRITELIVIR", "xref": ["InChIKey:IVZKZONQVYTCKC-UHFFFAOYSA-N", "SMILES:Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O"], "synonym": ["Pritelivir", "Aic316", "Pritelivir", "AIC-090093", "AIC-316", "AIC090093", "AIC316", "BAY 57-1293", "BAY-57-1293", "Pritelivir"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL4630721", "category": ["biolink:MacromolecularComplex"], "name": "Helicase/primase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1076263", "category": ["biolink:ChemicalEntity"], "name": "SETROBUVIR", "xref": ["InChIKey:DEKOYVOWOVJMPM-RLHIPHHXSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2"], "synonym": ["Setrobuvir", "Setrobuvir", "ANA-598", "ANA598", "RO-5466731", "RO5466731", "Setrobuvir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298009", "category": ["biolink:ChemicalEntity"], "name": "IERAMILIMAB", "synonym": ["Ieramilimab", "Humanised imp-701", "Ieramilimab", "Lag 525", "Lag525", "LAG-525", "LAG525", "NVP-LAG525", "Ieramilimab"]}
{"name": "Lymphocyte activation gene 3 protein", "xref": ["CHEMBL.TARGET:CHEMBL4630881"], "id": "UniProtKB:P18627", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082723", "category": ["biolink:ChemicalEntity"], "name": "CIPARGAMIN", "xref": ["InChIKey:CKLPLPZSUQEDRT-WPCRTTGESA-N", "SMILES:C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12"], "synonym": ["Cipargamin", "Cipargamine", "Cipargamina", "Cipargamin", "Kae609", "KAE-609", "KAE609", "NITD-609", "NITD-609, (+)-", "NITD609"]}
{"name": "P-type ATPase", "synonym": ["P-type sodium-transporting ATPase4"], "xref": ["CHEMBL.TARGET:CHEMBL4630875"], "id": "UniProtKB:Q27724", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594448", "category": ["biolink:ChemicalEntity"], "name": "IPTACOPAN", "xref": ["InChIKey:RENRQMCACQEWFC-UGKGYDQZSA-N", "SMILES:CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1"], "synonym": ["Iptacopan", "Iptacopan", "Iptacopan", "Lnp023", "LNP-023", "LNP023", "NVP-LNP023", "NVP-LNP023-NX", "Iptacopan"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Complement factor B", "xref": ["CHEMBL.TARGET:CHEMBL5731"], "id": "UniProtKB:P00751", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297928", "category": ["biolink:ChemicalEntity"], "name": "NOMACOPAN", "synonym": ["Nomacopan", "Coversin", "Nomacopan", "REV-576", "REV-675", "REV675", "rEV576", "Nomacopan"]}
{"id": "CHEMBL.TARGET:CHEMBL2095160", "category": ["biolink:ProteinFamily"], "name": "Leukotriene B4 receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137338", "category": ["biolink:ChemicalEntity"], "name": "ASVASIRAN SODIUM", "synonym": ["Asvasiran sodium", "ALN-RSV-01", "ALN-RSV01", "Asvasiran sodium"]}
{"id": "CHEMBL.TARGET:CHEMBL4635143", "category": ["biolink:NucleicAcidEntity"], "name": "Nucleoprotein mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297722", "category": ["biolink:ChemicalEntity"], "name": "CEMDISIRAN", "synonym": ["Cemdisiran", "Cemdisiran", "Cemdisiran sodium", "AD-62643", "AD-62643 FREE ACID", "ALN-62643", "ALN-62643 FREE ACID", "Cemdisiran"]}
{"id": "CHEMBL.TARGET:CHEMBL4627245", "category": ["biolink:NucleicAcidEntity"], "name": "Complement C5 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL2110581", "category": ["biolink:ChemicalEntity"], "name": "BEVASIRANIB", "xref": ["InChIKey:PRYZSLKPMFOUNL-MHIBGBBJSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)[nH]c1=O"], "synonym": ["Bevasiranib", "Bevasiranib"]}
{"id": "CHEMBL.TARGET:CHEMBL4630576", "category": ["biolink:NucleicAcidEntity"], "name": "VEGF-A mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594338", "category": ["biolink:ChemicalEntity"], "name": "NEDOSIRAN SODIUM", "synonym": ["Nedosiran sodium", "Dcr-phxc", "Nedosiran sodium", "DCR-PHXC", "Rivfloza", "Nedosiran sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4627242", "category": ["biolink:NucleicAcidEntity"], "name": "L-lactate dehydrogenase A chain mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298113", "category": ["biolink:ChemicalEntity"], "name": "BAMOSIRAN", "synonym": ["Bamosiran", "Bamosiran", "Syl040012", "SYL-040012", "SYL040012"]}
{"id": "CHEMBL.TARGET:CHEMBL4630578", "category": ["biolink:NucleicAcidEntity"], "name": "Beta-2 adrenergic receptor mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL406050", "category": ["biolink:ChemicalEntity"], "name": "PX-12", "xref": ["InChIKey:BPBPYQWMFCTCNG-UHFFFAOYSA-N", "SMILES:CCC(C)SSc1ncc[nH]1"], "synonym": ["Px-12"], "chembl_natural_product": true}
{"name": "Thioredoxin", "xref": ["CHEMBL.TARGET:CHEMBL2010624"], "id": "UniProtKB:P10599", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297422", "category": ["biolink:ChemicalEntity"], "name": "RG-4733", "xref": ["InChIKey:OJPLJFIFUQPSJR-INIZCTEOSA-N", "SMILES:CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21"], "synonym": ["Rg 4733", "Rg-4733", "Ro4929097", "RO 4929097", "RO-4929097"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298192", "category": ["biolink:ChemicalEntity"], "name": "SUVODIRSEN", "synonym": ["Suvodirsen", "Suvodirsen", "Wve-210201", "BMTR0139", "WLS-4176", "WV-3473", "WVE-210201", "Suvodirsen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989978", "category": ["biolink:ChemicalEntity"], "name": "PREXIGEBERSEN", "synonym": ["Prexigebersen", "L-grb-2 antisense", "Prexigebersen", "BP-100-1.01/L-Grb2", "BP-1001", "Prexigebersen"]}
{"id": "CHEMBL.TARGET:CHEMBL4627241", "category": ["biolink:NucleicAcidEntity"], "name": "Growth factor receptor-bound protein 2 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707383", "category": ["biolink:ChemicalEntity"], "name": "MONGERSEN SODIUM", "synonym": ["Mongersen sodium", "GED-0301", "GED-0301 SODIUM", "Mongersen sodium"]}
{"id": "CHEMBL.TARGET:CHEMBL4632344", "category": ["biolink:NucleicAcidEntity"], "name": "SMAD-7 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298087", "category": ["biolink:ChemicalEntity"], "name": "LADEMIRSEN", "synonym": ["Lademirsen", "Lademirsen", "RG-012", "RG-456070", "SAR339375", "Lademirsen"]}
{"id": "CHEMBL.TARGET:CHEMBL1615322", "category": ["biolink:NucleicAcidEntity"], "name": "microRNA 21"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298097", "category": ["biolink:ChemicalEntity"], "name": "ROMILKIMAB", "synonym": ["Romilkimab", "Hutbti3_2_1", "Romilkimab", "Sar156597", "SAR-156597", "SAR156597", "Romilkimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297580", "category": ["biolink:ChemicalEntity"], "name": "ETOKIMAB", "synonym": ["Etokimab", "Anb020", "Etokimab", "ANB-020", "ANB020", "Etokimab"]}
{"name": "Interleukin-33", "xref": ["CHEMBL.TARGET:CHEMBL4630890"], "id": "UniProtKB:O95760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297700", "category": ["biolink:ChemicalEntity"], "name": "BIMEKIZUMAB", "synonym": ["Bimekizumab", "Bimekizumab", "Bimekizumab", "Bimekizumab-bkzx", "Bimekizumab", "Bimekizumab", "Ucb4940", "UCB-4940", "UCB4940", "Bimzelx", "Bimekizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297255", "category": ["biolink:ChemicalEntity"], "name": "ABP-700", "xref": ["InChIKey:DRAFVCKNYNQOKR-GFCCVEGCSA-N", "SMILES:COC(=O)C1(OC(=O)c2cncn2[C@H](C)c2ccccc2)CC1"], "synonym": ["Abp-700"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298002", "category": ["biolink:ChemicalEntity"], "name": "ICHORCUMAB", "synonym": ["Ichorcumab", "Jnj-64179375", "JNJ-375", "JNJ-64179375", "JNJ-9375"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297860", "category": ["biolink:ChemicalEntity"], "name": "TILAVONEMAB", "synonym": ["Tilavonemab", "Abbv-8e12", "Tilavonemab", "ABBV-8E12", "C2N-8E12", "C2N8E12", "Tilavonemab"]}
{"name": "Microtubule-associated protein tau", "xref": ["CHEMBL.TARGET:CHEMBL1293224"], "id": "UniProtKB:P10636", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595573", "category": ["biolink:ChemicalEntity"], "name": "MK-0557", "xref": ["InChIKey:RMYZIRFUCOMQRH-CAJLXGCNSA-N", "SMILES:O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21"], "synonym": ["Mk-0557", "Mk0557", "MK0557"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3608680", "category": ["biolink:ChemicalEntity"], "name": "FEZOLINETANT", "xref": ["InChIKey:PPSNFPASKFYPMN-SECBINFHSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1"], "synonym": ["Fezolinetant", "Fezolinetant", "Fezolinetant", "Fezolinetant", "Esn364", "Fezolinetant", "Veozah", "A-2693", "A2693", "AS-3472693-00", "AS3472693-00", "ES-256364", "ESN-364", "ESN364", "Veoza", "Veozah", "Fezolinetant"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL452461", "category": ["biolink:ChemicalEntity"], "name": "PERZINFOTEL", "xref": ["InChIKey:BDABGOLMYNHHTR-UHFFFAOYSA-N", "SMILES:O=c1c2c(c1=O)N(CCP(=O)(O)O)CCCN2"], "synonym": ["Perzinfotel", "Perzinfotel", "EAA-090", "Perzinfotel"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4291143", "category": ["biolink:ChemicalEntity"], "name": "PC-786", "xref": ["InChIKey:VTCJNYICQADBJD-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3CCc4cc(C(=O)Nc5c(C)cccc5F)sc4-c4ccccc43)cc2)c1"], "synonym": ["Pc-786", "Pc786", "PC-786", "PC786"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594457", "category": ["biolink:ChemicalEntity"], "name": "AL-78898A", "synonym": ["(trp(me)4)-ac-compstatin", "4(1mew)", "Al-78898a", "Compstatin analog 4(1mew)", "Pot-4", "AL-78898A", "POT-4"]}
{"name": "Complement C3", "xref": ["CHEMBL.TARGET:CHEMBL4917"], "id": "UniProtKB:P01024", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297329", "category": ["biolink:ChemicalEntity"], "name": "PIFUSERTIB", "xref": ["InChIKey:AIFGVDXMHWGOGJ-DIVCQZSQSA-N", "SMILES:C[C@]1(O)C[C@@](N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)C1"], "synonym": ["Pifusertib", "Pifusertib", "Pifusertib", "Pifusertib", "Tas-117", "TAS 117"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297315", "category": ["biolink:ChemicalEntity"], "name": "PCI-27483", "xref": ["InChIKey:WDJHHCAKBRKCLW-IBGZPJMESA-N", "SMILES:N=C(N)c1ccc2nc(-c3cc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc(-c4cc(S(N)(=O)=O)ccc4O)c3O)[nH]c2c1"], "synonym": ["Cra-027483", "Pci-27483"], "chembl_natural_product": true}
{"name": "Coagulation factor VII", "xref": ["CHEMBL.TARGET:CHEMBL3991"], "id": "UniProtKB:P08709", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318007", "category": ["biolink:ChemicalEntity"], "name": "PIMODIVIR", "xref": ["InChIKey:JGPXDNKSIXAZEQ-SBBZOCNPSA-N", "SMILES:O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F"], "synonym": ["Pimodivir", "Pimodivir", "Vx-787 anhydrous base", "JNJ - 63623872 - ZCD", "JNJ-63623872", "JNJ-63623872-ZCD", "JNJ-872", "JNJ63623872", "JNJ872", "VX -787", "VX-787", "Pimodivir"]}
{"name": "Polymerase basic protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3317339"], "id": "UniProtKB:P03428", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:211044"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989929", "category": ["biolink:ChemicalEntity"], "name": "AZELIRAGON", "xref": ["InChIKey:KJNNWYBAOPXVJY-UHFFFAOYSA-N", "SMILES:CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"], "synonym": ["Azeliragon", "Azeliragon", "PF-04494700", "TTP-488", "TTP448", "TTP488", "Azeliragon"], "chembl_natural_product": true}
{"name": "Advanced glycosylation end product-specific receptor", "xref": ["CHEMBL.TARGET:CHEMBL2176846"], "id": "UniProtKB:Q15109", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149082", "category": ["biolink:ChemicalEntity"], "name": "TRAMIPROSATE", "xref": ["InChIKey:SNKZJIOFVMKAOJ-UHFFFAOYSA-N", "SMILES:NCCCS(=O)(=O)O"], "synonym": ["Tramiprosate", "Tramiprosato", "Tramiprosate", "3-aminopropane sulfonic acid", "Homotaurine", "Tramiprosate", "NC-531", "NC-758", "NSC-77071", "Tramiprosate", "Acamprosate related compound a"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL435381", "category": ["biolink:ChemicalEntity"], "name": "CIMICOXIB", "xref": ["InChIKey:KYXDNECMRLFQMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F"], "synonym": ["Cimicoxib", "Cimicoxib", "Cimicoxib", "Cimalgex", "Cimicoxib", "Cimicoxib (ema epar: veterinary)", "UR-8880", "Cimalgex"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297583", "category": ["biolink:ChemicalEntity"], "name": "TEGOPRAZAN", "xref": ["InChIKey:CLIQCDHNPDMGSL-HNNXBMFYSA-N", "SMILES:Cc1nc2cc(C(=O)N(C)C)cc(O[C@H]3CCOc4cc(F)cc(F)c43)c2[nH]1"], "synonym": ["Tegoprazan", "Tegoprazan", "Cj-12420", "Lxi-15028", "Tegoprazan", "LXI-15028"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297524", "category": ["biolink:ChemicalEntity"], "name": "RADOTINIB", "xref": ["InChIKey:DUPWHXBITIZIKZ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1"], "synonym": ["Radotinib", "Radotinib", "Radotinib", "IY5511"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297442", "category": ["biolink:ChemicalEntity"], "name": "OLITIGALTIN", "xref": ["InChIKey:YGIDGBAHDZEYMT-MQFIMZJJSA-N", "SMILES:OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cccc(F)c4)nn3)[C@H]2O)[C@H](O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O"], "synonym": ["Olitigaltin", "Olitigaltine", "Olitigaltina", "Olitigaltin", "Td 139", "Td-139", "Td139", "GB-0139", "GB0139", "TD-139", "TD139", "Olitigaltin"]}
{"name": "Galectin-3", "xref": ["CHEMBL.TARGET:CHEMBL4531"], "id": "UniProtKB:P17931", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297323", "category": ["biolink:ChemicalEntity"], "name": "PZ-128", "xref": ["InChIKey:VZRIKWNVDCTBTF-BKGFHLQYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "synonym": ["Palmitate-kksralf-nh2", "Pz-128"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2179105", "category": ["biolink:ChemicalEntity"], "name": "EDELINONTRINE", "xref": ["InChIKey:IWXUVYOOUMLUTQ-CZUORRHYSA-N", "SMILES:C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1"], "synonym": ["Edelinontrine", "Edelinontrine", "Edelinontrina", "Crd-740", "Edelinontrine", "Pf-04447943", "CRD740", "PF-4447943", "PF04447943", "PF4447943"], "chembl_natural_product": true}
{"name": "High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A", "xref": ["CHEMBL.TARGET:CHEMBL3535"], "id": "UniProtKB:O76083", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225157", "category": ["biolink:ChemicalEntity"], "name": "RESATORVID", "xref": ["InChIKey:LEEIJTHMHDMWLJ-CQSZACIVSA-N", "SMILES:CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl"], "synonym": ["Resatorvid", "Cli-095", "Resatorvid", "Tak-242"]}
{"name": "Toll-like receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL5255"], "id": "UniProtKB:O00206", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3337527", "category": ["biolink:ChemicalEntity"], "name": "JNJ-40411813", "xref": ["InChIKey:HYOGJHCDLQSAHX-UHFFFAOYSA-N", "SMILES:CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O"], "synonym": ["Jnj-40411813", "ADX-71149"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3590674", "category": ["biolink:ChemicalEntity"], "name": "ABT-639", "xref": ["InChIKey:AGPIHNZOZNKRGT-CYBMUJFWSA-N", "SMILES:O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(F)cc1Cl)N1CCN2CCC[C@@H]2C1"], "synonym": ["Abt-639", "Abt-639 free base"]}
{"name": "Voltage-dependent T-type calcium channel subunit alpha-1H", "xref": ["CHEMBL.TARGET:CHEMBL1859"], "id": "UniProtKB:O95180", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517231", "category": ["biolink:ChemicalEntity"], "name": "ISLATRAVIR", "xref": ["InChIKey:IKKXOSBHLYMWAE-QRPMWFLTSA-N", "SMILES:C#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1O"], "synonym": ["Islatravir", "Islatravir", "Islatravir anhydrous", "Mk-8591", "MK-8591", "Islatravir"]}
{"name": "Reverse transcriptase", "xref": ["CHEMBL.TARGET:CHEMBL1681630"], "id": "UniProtKB:Q06347", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11709"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297530", "category": ["biolink:ChemicalEntity"], "name": "SAROGLITAZAR", "xref": ["InChIKey:MRWFZSLZNUJVQW-DEOSSOPVSA-N", "SMILES:CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O"], "synonym": ["Saroglitazar", "Saroglitazar"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL435128", "category": ["biolink:ChemicalEntity"], "name": "CAPRAVIRINE", "xref": ["InChIKey:YQXCVAGCMNFUMQ-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1"], "synonym": ["Capravirine", "Capravirina", "Capravirine", "Capravirine", "S-1153", "Capravirine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297778", "category": ["biolink:ChemicalEntity"], "name": "LONCASTUXIMAB TESIRINE", "synonym": ["Loncastuximab tesirine", "Loncastuximab tesirine", "Loncastuximab tesirine-lpyl", "Loncastuximab tesirine", "Loncastuximab tesirina", "Adct-402 tesirine", "Loncastuximab tesirine", "Loncastuximab tesirine lpyl", "ADCT-402", "ADCT-402 TESIRINE", "Zynlonta", "Loncastuximab tesirine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298084", "category": ["biolink:ChemicalEntity"], "name": "ODRONEXTAMAB", "synonym": ["Odronextamab", "Odronextamab", "Odronextamab", "Regn1979", "REGN-1979", "REGN1979", "Odronextamab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171754", "category": ["biolink:ChemicalEntity"], "name": "JNJ-39220675", "xref": ["InChIKey:IQOWHZHNGJXGHG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCN(C2CCC2)CC1"], "synonym": ["Jnj 39220675", "Jnj-39220675"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984425", "category": ["biolink:ChemicalEntity"], "name": "EGANELISIB", "xref": ["InChIKey:XUMALORDVCFWKV-IBGZPJMESA-N", "SMILES:C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1"], "synonym": ["Eganelisib", "Eganelisib", "Ipi-549", "Pi3k-gamma inhibitor ipi-549", "IPI-549", "Eganelisib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297789", "category": ["biolink:ChemicalEntity"], "name": "MT-3724", "synonym": ["Mt-3724"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298210", "category": ["biolink:ChemicalEntity"], "name": "ISCALIMAB", "synonym": ["Iscalimab", "Iscalimab", "CFZ-533", "CFZ533", "NVP-CFZ533", "Iscalimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990028", "category": ["biolink:ChemicalEntity"], "name": "BLESELUMAB", "synonym": ["Bleselumab", "Bleselumab", "ASKP-1240", "ASKP1240", "Bleselumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900554", "category": ["biolink:ChemicalEntity"], "name": "BMS-986142", "xref": ["InChIKey:ZRYMMWAJAFUANM-INIZCTEOSA-N", "SMILES:Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O"], "synonym": ["Bms-986142"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298016", "category": ["biolink:ChemicalEntity"], "name": "FROVOCIMAB", "synonym": ["Frovocimab", "Frovocimab", "Ly3015014", "LY-3015014", "LY3015014", "Frovocimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160038", "category": ["biolink:ChemicalEntity"], "name": "NEBICAPONE", "xref": ["InChIKey:MRFOLGFFTUGAEB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)c1cc(O)c(O)c([N+](=O)[O-])c1"], "synonym": ["Nebicapone", "Nebicapona", "Nebicapone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297842", "category": ["biolink:ChemicalEntity"], "name": "TOMUZOTUXIMAB", "synonym": ["Tomuzotuximab", "Tomuzotuximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297843", "category": ["biolink:ChemicalEntity"], "name": "TORIPALIMAB", "synonym": ["Toripalimab", "Toripalimab", "Toripalimab-tpzi", "Toripalimab", "Anti-pd-i mab-shanghai junshi", "Js-001", "Js001", "Teriprizumab", "Toripalimab", "Toripalimab-tpzi", "Treprizumab", "Tripleitriumab", "Triprizumab", "Tuoyi", "CHS-007", "JS-001", "JS001", "TAB-001", "TAB001", "Loqtorzi", "Toripalimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297891", "category": ["biolink:ChemicalEntity"], "name": "CUSATUZUMAB", "synonym": ["Cusatuzumab", "Argx-110", "Cusatuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20684", "category": ["biolink:ChemicalEntity"], "name": "ABT-751", "xref": ["InChIKey:URCVCIZFVQDVPM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1"], "synonym": ["Abt-751", "E 7010", "E-7010", "NSC-742134"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3832942", "category": ["biolink:ProteinFamily"], "name": "Tubulin beta"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298212", "category": ["biolink:ChemicalEntity"], "name": "RAVAGALIMAB", "synonym": ["Ravagalimab", "Ravagalimab", "ABBV-323", "PR-1629977", "Ravagalimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297598", "category": ["biolink:ChemicalEntity"], "name": "LINRODOSTAT", "xref": ["InChIKey:KRTIYQIPSAGSBP-KLAILNCOSA-N", "SMILES:C[C@@H](C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1"], "synonym": ["Linrodostat", "Bms-986205", "Linrodostat", "BMS 986205", "BMS-986205", "F 001287", "F-001287", "F001287", "ONO 7701", "ONO-7701", "ONO7701", "Linrodostat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594492", "category": ["biolink:ChemicalEntity"], "name": "REVUSIRAN", "synonym": ["Revusiran", "Revusiran", "AD-51547"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594424", "category": ["biolink:ChemicalEntity"], "name": "TZP-102", "xref": ["InChIKey:HIIMPSTXUQUYOO-FPJBJBNZSA-N", "SMILES:CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NC[C@@H](C)Oc2ccccc2CC[C@H](C)NC1=O"], "synonym": ["Tzp-102", "TZP-102"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3306918", "category": ["biolink:ChemicalEntity"], "name": "PRX-03140", "xref": ["InChIKey:SCHKZZSVELPJKU-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccsc21"], "synonym": ["Prx-03140"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3990044", "category": ["biolink:ChemicalEntity"], "name": "RELATLIMAB", "synonym": ["Relatlimab", "Relatlimab-rmbw", "Relatlimab", "Relatlimab", "Relatlimab rmbw", "Relatlimab-rmbw", "BMS-986016", "Relatlimab component of bms-986213", "Relatlimab component of opdualag  -rmbw", "Relatlimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594575", "category": ["biolink:ChemicalEntity"], "name": "SABATOLIMAB", "synonym": ["Sabatolimab", "Sabatolimab", "Mbg 453", "Mbg453", "Sabatolimab", "MBG-453", "MBG453", "NVP-MBG453", "Sabatolimab"]}
{"name": "Hepatitis A virus cellular receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4630879"], "id": "UniProtKB:Q8TDQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039503", "category": ["biolink:ChemicalEntity"], "name": "LOMIBUVIR", "xref": ["InChIKey:WPMJNLCLKAKMLA-VVPTUSLJSA-N", "SMILES:CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@H](O)CC2)c(C(=O)O)s1"], "synonym": ["Lomibuvir", "Lomibuvir", "Vch-222", "VX-222", "Lomibuvir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297871", "category": ["biolink:ChemicalEntity"], "name": "CAMIDANLUMAB TESIRINE", "synonym": ["Camidanlumab tesirine", "Camidanlumab tesirina", "Adct 301", "Adct 502", "Adct-301 tesirine", "Camidanlumab tesirine", "ADCT-301", "ADCT-301 TESIRINE", "ADCT301", "Camidanlumab tesirine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297787", "category": ["biolink:ChemicalEntity"], "name": "MONALIZUMAB", "synonym": ["Monalizumab", "Iph-2201", "Iph2201", "Monalizumab", "IPH-2201 (ANTI-NKG2A)", "IPH2201", "NN-8765", "NN8765", "NN8765-3658"]}
{"name": "NKG2-A/NKG2-B type II integral membrane protein", "xref": ["CHEMBL.TARGET:CHEMBL4630892"], "id": "UniProtKB:P26715", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297850", "category": ["biolink:ChemicalEntity"], "name": "XENTUZUMAB", "synonym": ["Xentuzumab", "Bi 836845", "Xentuzumab", "BI 836845", "BI-836845"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594518", "category": ["biolink:ChemicalEntity"], "name": "LUTIKIZUMAB", "synonym": ["Lutikizumab", "Abt-981", "Lutikizumab", "A-1234138", "ABT-981", "Lutikizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297942", "category": ["biolink:ChemicalEntity"], "name": "QUETMOLIMAB", "synonym": ["Quetmolimab", "E6011", "Quetmolimab", "E-6011", "E6011", "Quetmolimab"]}
{"name": "Fractalkine", "xref": ["CHEMBL.TARGET:CHEMBL4630883"], "id": "UniProtKB:P78423", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990016", "category": ["biolink:ChemicalEntity"], "name": "OLECLUMAB", "synonym": ["Oleclumab", "Oleclumab", "MEDI-9447", "MEDI9447", "Oleclumab"]}
{"name": "5'-nucleotidase", "xref": ["CHEMBL.TARGET:CHEMBL5957"], "id": "UniProtKB:P21589", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989976", "category": ["biolink:ChemicalEntity"], "name": "PEGVORHYALURONIDASE ALFA", "synonym": ["Pegvorhyaluronidase alfa", "Pegvorhialuronidasa alfa", "Pegvorhyaluronidase alfa", "PEGPH-20", "PEGPH20", "Pegvorhyaluronidase alfa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201636", "category": ["biolink:ChemicalEntity"], "name": "HYALURONIDASE", "synonym": ["Hyaluronidase", "Hyaluronidase", "Hyaluronidase", "Hyaluronidase", "Hialuronidasa", "Hyaluronidase", "Hyaluronidases", "Hyaluronidase", "Hyaluronidase (bovine)", "Hyaluronidase bovine", "Hyaluronidase, bovine", "Hyaluronoglucosaminidase", "Hyalase", "Jalovis", "Hyaluronidase", "Hyaluronidase"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108607", "category": ["biolink:ChemicalEntity"], "name": "HYALURONIDASE (OVINE)", "synonym": ["Hyaluronidase (ovine)", "Hyaluronidase, ovine", "HYO-6A", "HYO6A", "Diffusin", "Enzodase", "Hyazyme", "Vitrase", "Wydase", "Hyaluronidase (ovine)", "Hyaluronidase (ovine)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297504", "category": ["biolink:ChemicalEntity"], "name": "BELORANIB", "xref": ["InChIKey:ZEZFKUBILQRZCK-MJSCXXSSSA-N", "SMILES:CO[C@@H]1[C@H](OC(=O)/C=C/c2ccc(OCCN(C)C)cc2)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C"], "synonym": ["Beloranib", "Beloranib", "Zgn-433", "Zgn-440", "ZGN-433", "ZGN-440"], "chembl_natural_product": true}
{"name": "Methionine aminopeptidase 2", "xref": ["CHEMBL.TARGET:CHEMBL3922"], "id": "UniProtKB:P50579", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513922", "category": ["biolink:ChemicalEntity"], "name": "EMAPUNIL", "xref": ["InChIKey:NBMBIEOUVBHEBM-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21"], "synonym": ["Emapunil", "Emapunilo", "Emapunil", "AC-5216", "XBD-173", "XBD173"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297236", "category": ["biolink:ChemicalEntity"], "name": "LISOCABTAGENE MARALEUCEL", "synonym": ["Lisocabtagene maraleucel", "Lisocabtagene maraleucel", "Lisocabtagen maraleucel", "Breyanzi", "Lisocabtagene maraleucel", "JCAR-017", "JCAR017", "Lisocabtagene maraleucel"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066936", "category": ["biolink:ChemicalEntity"], "name": "VERICIGUAT", "xref": ["InChIKey:QZFHIXARHDBPBY-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N"], "synonym": ["Vericiguat", "Vericiguat", "Vericiguat", "Vericiguat", "Vericiguat", "BAY 1021189", "BAY-1021189", "MK-1242", "Verquvo", "Vericiguat"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298199", "category": ["biolink:ChemicalEntity"], "name": "IDECABTAGENE VICLEUCEL", "synonym": ["Idecabtagene vicleucel", "Idecabtagene vicleucel", "Idecabtagene vicleucel", "Idecabtagen vicleucel", "Anti-bcma car t cell", "Ide-cel", "Idecabtagene vicleucel", "BB-2121", "bb2121", "Abecma", "Idecabtagene vicleucel"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.COMPOUND:CHEMBL290194", "category": ["biolink:ChemicalEntity"], "name": "ALIZAPRIDE", "xref": ["InChIKey:KSEYRUGYKHXGFW-UHFFFAOYSA-N", "SMILES:C=CCN1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC"], "synonym": ["Alizapride", "Alizapride", "Alizaprida", "Alizapride", "Litican", "Plitican", "Superan", "Vergentan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297990", "category": ["biolink:ChemicalEntity"], "name": "TEBENTAFUSP", "synonym": ["Tebentafusp", "Tebentafusp", "Tebentafusp", "Tebentafusp-tebn", "Tebentafusp", "Imcgp100", "Kimmtrak", "Tebentafusp", "Tebentafusp tebn", "Tebentafusp-tebn", "IMCGP-100", "IMCGP100", "IMCgp 100", "IMMTAC IMCGP100", "ImmTAC IMCgpgp 100", "Kimmtrak", "Tebentafusp"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297751", "category": ["biolink:ChemicalEntity"], "name": "FERMAGATE", "synonym": ["Fermagate", "Fermagato", "Alpharen", "Fermagate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297783", "category": ["biolink:ChemicalEntity"], "name": "CLESROVIMAB", "synonym": ["Clesrovimab", "Clesrovimab", "Clesrovimab", "Clesrovimab", "Mk-1654", "MK-1654", "Clesrovimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297969", "category": ["biolink:ChemicalEntity"], "name": "FELADILIMAB", "synonym": ["Feladilimab", "Feladilimab", "Gsk 3359609", "Gsk3359609", "3359609", "GSK-3359609", "GSK-609", "GSK3359609", "Feladilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298123", "category": ["biolink:ChemicalEntity"], "name": "COBOLIMAB", "synonym": ["Cobolimab", "Cobolimab", "Tsr 022", "Tsr-022", "TSR-022", "TSR022", "WBP-296A", "Cobolimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594442", "category": ["biolink:ChemicalEntity"], "name": "IMARADENANT", "xref": ["InChIKey:NCWQLHHDGDXIJN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(Cl)n1"], "synonym": ["Imaradenant", "Azd 4635", "Azd4635", "Imaradenant", "AZD-4635", "AZD4635", "HTL-1071", "HTL1071"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989997", "category": ["biolink:ChemicalEntity"], "name": "SUVRATOXUMAB", "synonym": ["Suvratoxumab", "Suvratoxumab", "MEDI-4893", "MEDI4893", "Suvratoxumab"]}
{"name": "Alpha-hemolysin", "xref": ["CHEMBL.TARGET:CHEMBL1075259"], "id": "UniProtKB:P09616", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990039", "category": ["biolink:ChemicalEntity"], "name": "MARSTACIMAB", "synonym": ["Marstacimab", "Marstacimab", "Marstacimab-hncq", "Marstacimab", "Marstacimab", "PF-06741086", "Hympavzi", "Marstacimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298197", "category": ["biolink:ChemicalEntity"], "name": "VUPANORSEN", "synonym": ["Vupanorsen", "Vupanorsen", "AKCEA-ANGPTL3-LRx", "ISIS 703802", "ISIS-703802", "Vupanorsen"]}
{"id": "CHEMBL.TARGET:CHEMBL4622825", "category": ["biolink:NucleicAcidEntity"], "name": "Angiopoietin like 3 (ANGPTL3) mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4541964", "category": ["biolink:ChemicalEntity"], "name": "ZATOLMILAST", "xref": ["InChIKey:LTSUMTMGJHPGFX-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(Cc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1"], "synonym": ["Zatolmilast", "Bpn14770", "Zatolmilast", "BPN-14770", "BPN14770", "Zatolmilast"]}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4D", "xref": ["CHEMBL.TARGET:CHEMBL288"], "id": "UniProtKB:Q08499", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297460", "category": ["biolink:ChemicalEntity"], "name": "DOVRAMILAST", "xref": ["InChIKey:QDZOBXFRIVOQBR-LJQANCHMSA-N", "SMILES:CCOc1cc([C@@H](CS(C)(=O)=O)N2Cc3cccc(NC(=O)C4CC4)c3C2=O)ccc1OC"], "synonym": ["Dovramilast", "Dovramilast", "Dovramilast", "Cc-11050", "Dovramilast", "CC-11050", "CC11050"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113974", "category": ["biolink:ChemicalEntity"], "name": "TRANIMILAST", "xref": ["InChIKey:VCFBPAOSTLMYIV-SANMLTNESA-N", "SMILES:CS(=O)(=O)Nc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1OCC1CC1"], "synonym": ["Tanimilast", "Chf-6001", "Chf6001", "Tranimilast", "CHF6001", "J3.309.618F", "Tranimilast"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570015", "category": ["biolink:ChemicalEntity"], "name": "GSK-256066", "xref": ["InChIKey:JFHROPTYMMSOLG-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1"], "synonym": ["Gsk-256066", "GSK256066"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297287", "category": ["biolink:ChemicalEntity"], "name": "HT-0712", "xref": ["InChIKey:ABEJDMOBAFLQNJ-NHCUHLMSSA-N", "SMILES:COc1ccc([C@H]2CNC(=O)[C@H](Cc3cccc(C)c3)C2)cc1OC1CCCC1"], "synonym": ["Blx-028914", "Ht-0712", "BLX-028914", "IPL-455903", "OX-914"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989967", "category": ["biolink:ChemicalEntity"], "name": "LOTAMILAST", "xref": ["InChIKey:BBTFKAOFCSOZMB-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2cccc(NC(=O)c3ccc(C(=O)OC)cc3)c2)c2cc(OC)c(OC)cc2n1"], "synonym": ["Lotamilast", "E-6005", "E6005", "Lotamilast", "E6005", "RVT-501", "Lotamilast"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL485629", "category": ["biolink:ChemicalEntity"], "name": "MK-0873", "xref": ["InChIKey:JJWKQXNHYDJXKF-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1cn(-c2cccc(C#Cc3ccc[n+]([O-])c3)c2)c2ncccc2c1=O"], "synonym": ["Mk-0873", "MK0873"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297520", "category": ["biolink:ChemicalEntity"], "name": "OGLEMILAST", "xref": ["InChIKey:OKFDRAHPFKMAJH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1"], "synonym": ["Oglemilast", "Oglemilast", "GRC 3845"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217899", "category": ["biolink:ChemicalEntity"], "name": "TOFIMILAST", "xref": ["InChIKey:DHCOPPHTVOXDKU-UHFFFAOYSA-N", "SMILES:CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2"], "synonym": ["Tofimilast", "Tofimilast", "CP-325,366", "CP-325366", "Tofimilast"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL511115", "category": ["biolink:ChemicalEntity"], "name": "CILOMILAST", "xref": ["InChIKey:CFBUZOUXXHZCFB-OYOVHJISSA-N", "SMILES:COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1"], "synonym": ["Cilomilast", "Cilomilast", "Cilomilast", "Ariflo", "Cilomilast", "SB 207499", "SB-207499", "SB207499", "Cilomilast"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL332750", "category": ["biolink:ChemicalEntity"], "name": "TETOMILAST", "xref": ["InChIKey:XDBHURGONHZNJF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OCC"], "synonym": ["Tetomilast", "Tetomilast", "OPC-6535"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483465", "category": ["biolink:ChemicalEntity"], "name": "ELRAGLUSIB", "xref": ["InChIKey:FARXPFGGGGLENU-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3coc4ccc(F)cc34)C(=O)NC2=O)c2cc3c(cc21)OCO3"], "synonym": ["Elraglusib", "9 ing 41", "9-ing-41", "Elraglusib", "9-ING-41", "Elraglusib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455136", "category": ["biolink:ChemicalEntity"], "name": "ALMOREXANT", "xref": ["InChIKey:DKMACHNQISHMDN-RPLLCQBOSA-N", "SMILES:CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1"], "synonym": ["Almorexant", "Almorexant", "Almorexant", "ACT-078573"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107822", "category": ["biolink:ChemicalEntity"], "name": "FILOREXANT", "xref": ["InChIKey:NPFDWHQSDBWQLH-QZTJIDSGSA-N", "SMILES:Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1"], "synonym": ["Filorexant", "Filorexant", "MK-6096", "Filorexant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297590", "category": ["biolink:ChemicalEntity"], "name": "DARIDOREXANT", "xref": ["InChIKey:NBGABHGMJVIVBW-QHCPKHFHSA-N", "SMILES:COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1"], "synonym": ["Daridorexant", "Daridorexant", "Nemorexant", "Act-541468", "Daridorexant", "Nemorexant", "ACT-541468", "DEA NO. 2410", "Daridorexant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3597971", "category": ["biolink:ChemicalEntity"], "name": "SELTOREXANT", "xref": ["InChIKey:SQOCEMCKYDVLMM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1"], "synonym": ["Seltorexant", "Seltorexant", "JNJ-42847922", "MIN-202", "Seltorexant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297624", "category": ["biolink:ChemicalEntity"], "name": "BISEGLIPTIN", "xref": ["InChIKey:AKFNKZFJBFQFAA-DIOPXHOYSA-N", "SMILES:CCOC(=O)C12CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)(CC1)CC2"], "synonym": ["Bisegliptin", "Bisegliptine", "Bisegliptina", "Bisegliptin", "Krp-104", "KRP-104"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125702", "category": ["biolink:ChemicalEntity"], "name": "NAVTEMADLIN", "xref": ["InChIKey:DRLCSJFKKILATL-YWCVFVGNSA-N", "SMILES:CC(C)[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1"], "synonym": ["Navtemadlin", "Amg 232", "Krt-232", "Mdm2 inhibitor amg-232", "Navtemadlin", "AMG 232", "AMG-232", "KRT-232", "Navtemadlin"]}
{"id": "CHEMBL.TARGET:CHEMBL1907611", "category": ["biolink:MolecularActivity"], "name": "Tumour suppressor p53/oncoprotein Mdm2"}
{"id": "CHEMBL.COMPOUND:CHEMBL256997", "category": ["biolink:ChemicalEntity"], "name": "ATALUREN", "xref": ["InChIKey:OOUGLTULBSNHNF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1"], "synonym": ["Ataluren", "Ataluren", "Ataluren", "Atalureno", "Ataluren", "Ataluren", "Translarna", "PTC-124", "PTC124", "Translarna", "Ataluren"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297744", "category": ["biolink:ChemicalEntity"], "name": "ELX-02", "synonym": ["Exaluren", "Exalurene", "Exalureno", "Elx-02", "ELX-02", "NB-124"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257051", "category": ["biolink:ChemicalEntity"], "name": "TEDIZOLID", "xref": ["InChIKey:XFALPSLJIHVRKE-GFCCVEGCSA-N", "SMILES:Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1"], "synonym": ["Tedizolid", "Tedizolid", "Tedizolid", "Tedizolid", "Tedizolid", "TR-700", "Sivextro", "Tedizolid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707376", "category": ["biolink:ChemicalEntity"], "name": "CADAZOLID", "xref": ["InChIKey:XWFCFMXQTBGXQW-GOSISDBHSA-N", "SMILES:O=C(O)c1cn(C2CC2)c2cc(N3CCC(O)(COc4ccc(N5C[C@H](CO)OC5=O)cc4F)CC3)c(F)cc2c1=O"], "synonym": ["Cadazolid", "Cadazolid", "ACT-179811", "Cadazolid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072833", "category": ["biolink:ChemicalEntity"], "name": "EVOBRUTINIB", "xref": ["InChIKey:QUIWHXQETADMGN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1"], "synonym": ["Evobrutinib", "Evobrutinib", "Msc-2364447c", "Msc2364447c", "M-2951", "M2951", "Evobrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297632", "category": ["biolink:ChemicalEntity"], "name": "OXYCODEGOL", "xref": ["InChIKey:RQHILGKAOIGUHU-BUCMUWKRSA-N", "SMILES:COCCOCCOCCOCCOCCOCCO[C@H]1CCC2(O)[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5"], "synonym": ["Oxicodegol", "Oxycodegol", "Oxycodegol", "Oxycodegol", "Loxicodegol", "Nktr-181", "Oxycodegol", "NKTR-181", "Oxicodegol", "Oxycodegol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594402", "category": ["biolink:ChemicalEntity"], "name": "ORP-101", "xref": ["InChIKey:LEQOVFCHMOTJKU-WJVXOHEGSA-N", "SMILES:CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(OCCOc5ccc6c7c5O[C@H]5[C@@]8(OC)CC[C@@]9(C[C@@H]8[C@](C)(O)C(C)(C)C)[C@@H](C6)N(CC6CC6)CC[C@]759)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5"], "synonym": ["Buprenorphine dimer", "Orp-101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314437", "category": ["biolink:ChemicalEntity"], "name": "MEPTAZINOL", "xref": ["InChIKey:JLICHNCFTLFZJN-UHFFFAOYSA-N", "SMILES:CCC1(c2cccc(O)c2)CCCCN(C)C1"], "synonym": ["Meptazinol", "Meptazinol", "Meptazinol", "IL-22811"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1614637", "category": ["biolink:ChemicalEntity"], "name": "PHENETHICILLIN", "xref": ["InChIKey:NONJJLVGHLVQQM-JHXYUMNGSA-N", "SMILES:CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O"], "synonym": ["Pheneticillin", "Pheneticillin", "Pheneticilline", "Feneticilina", ".alpha.-phenoxyethylpenicillin", "Alfacilin", "Feneticillin", "Synthepen", "NSC-117548"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1276310", "category": ["biolink:ChemicalEntity"], "name": "TEMOCILLIN", "xref": ["InChIKey:BVCKFLJARNKCSS-DWPRYXJFSA-N", "SMILES:CO[C@@]1(NC(=O)C(C(=O)O)c2ccsc2)C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21"], "synonym": ["Temocillin", "Temocillin", "Temocillin", "Temocilline", "Temocilina", "Temocillin", "Temocillin", "BRL 17421 FREE ACID", "BRL 17421 [AS SODIUM]", "BRL-17421", "BRL-17421 FREE ACID", "Temocillin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2106988", "category": ["biolink:ChemicalEntity"], "name": "PENAMECILLIN", "xref": ["InChIKey:NLOOMWLTUVBWAW-HLLBOEOZSA-N", "SMILES:CC(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C"], "synonym": ["Penamecillin", "Penamecillin", "Penamecillin", "Penamecillin", "Penamecilline", "Penamecilina", "WY-20,788", "WY-20788", "Havapen", "Penamecillin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1672", "category": ["biolink:ChemicalEntity"], "name": "CEFPODOXIME", "xref": ["InChIKey:WYUSVOMTXWRGEK-HBWVYFAYSA-N", "SMILES:COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OC)c3csc(N)n3)[C@H]2SC1"], "synonym": ["Cefpodoxime", "Cefpodoxime", "Cefpodoxime", "Cefpodoxime", "Cefpodoxima", "Cefpodoxime", "Epoxim", "Orelox", "Orelox paed"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL520642", "category": ["biolink:ChemicalEntity"], "name": "CEFTOBIPROLE", "xref": ["InChIKey:VOAZJEPQLGBXGO-SDAWRPRTSA-N", "SMILES:Nc1nc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(/C=C4\\CCN([C@@H]5CCNC5)C4=O)CS[C@H]23)ns1"], "synonym": ["Ceftobiprole", "Ceftobiprol", "Ceftobiprole", "Ceftobiprole", "Zeftera", "BAL-9141-000", "BAL-9141000", "BAL9141-000", "RO 63-9141", "RO-63-9141", "RO-639141", "Ceftobiprole"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL222645", "category": ["biolink:ChemicalEntity"], "name": "FLOXACILLIN", "xref": ["InChIKey:UIOFUWFRIANQPC-JKIFEVAISA-N", "SMILES:Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O"], "synonym": ["Flucloxacillin", "Flucloxacillin", "Flucloxacillin sodium", "Flucloxacillin", "Flucloxacilline", "Flucloxacilina", "Flucloxacillin sodium", "Floxacillin", "Flucloxacillin sodium monohydrate", "Culpen", "Floxacillin", "Floxacillin sodium", "Floxacillin sodium anhydrous", "Flucloxacillin", "Flucloxacillin sodium anhydrous", "Flucloxacillin sodium monohydrate", "Staphylex", "BRL 2039", "BRL-2039", "NSC-277175", "Abboflox", "Floxapen", "Fluclomix-250", "Fluclomix-500", "Flucloxin", "Galfloxin", "Ladropen", "Rimaflox", "Stafoxil", "Staphlipen", "Zoxin 250", "Zoxin 500", "Floxacillin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1619785", "category": ["biolink:ChemicalEntity"], "name": "TALAMPICILLIN", "xref": ["InChIKey:SOROUYSPFADXSN-SUWVAFIASA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21"], "synonym": ["Talampicillin", "Talampicillin", "Talampicillin", "Talampicilline", "Talampicilina", "BRL 8988", "BRL-8988"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594348", "category": ["biolink:ChemicalEntity"], "name": "ELSUBRUTINIB", "xref": ["InChIKey:UNHZLHSLZZWMNP-LLVKDONJSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](c2ccc(C(N)=O)c3[nH]ccc23)C1"], "synonym": ["Elsubrutinib", "Elsubrutinib", "ABBV-105", "ABBV105", "Elsubrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065122", "category": ["biolink:ChemicalEntity"], "name": "FENEBRUTINIB", "xref": ["InChIKey:WNEODWDFDXWOLU-QHCPKHFHSA-N", "SMILES:C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1"], "synonym": ["Fenebrutinib", "Fenebrutinib", "Gdc-0853", "G-02599853", "G02599853", "GDC-0853", "RG-7845", "RG7845", "RO-7010939", "RO7010939", "Fenebrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702854", "category": ["biolink:ChemicalEntity"], "name": "RILZABRUTINIB", "xref": ["InChIKey:LCFFREMLXLZNHE-GBOLQPHISA-N", "SMILES:CC(C)(/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1"], "synonym": ["Rilzabrutinib", "Prn-1008", "Prn1008", "Rilzabrutinib", "Rilzabrutinib, (.alpha.e,3s)-", "PRN1008", "Rilzabrutinib"]}
{"name": "Serine/threonine-protein phosphatase 2A catalytic subunit beta isoform", "xref": ["CHEMBL.TARGET:CHEMBL2435"], "id": "UniProtKB:P62714", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 5", "xref": ["CHEMBL.TARGET:CHEMBL3425389"], "id": "UniProtKB:P53041", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38943", "category": ["biolink:ChemicalEntity"], "name": "GW501516", "xref": ["InChIKey:YDBLKRPLXZNVNB-UHFFFAOYSA-N", "SMILES:Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O"], "synonym": ["Cardarine", "Gw-501516", "Gw501516", "GSK-516", "GW-1516", "GW501516"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707395", "category": ["biolink:ChemicalEntity"], "name": "ELAFIBRANOR", "xref": ["InChIKey:AFLFKFHDSCQHOL-IZZDOVSWSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1"], "synonym": ["Elafibranor", "Elafibranor", "Elafibranor", "Elafibranor", "Gft505", "Iqirvo", "GFT-505", "GFT505", "Iqirvo", "Elafibranor"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297918", "category": ["biolink:ChemicalEntity"], "name": "SETRUSUMAB", "synonym": ["Setrusumab", "Bps804", "Setrusumab", "BPS-804", "BPS804", "MOR05813"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455461", "category": ["biolink:ChemicalEntity"], "name": "RADEZOLID", "xref": ["InChIKey:BTTNOGHPGJANSW-IBGZPJMESA-N", "SMILES:CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1"], "synonym": ["Radezolid", "Radezolid", "RX-013", "RX-01_667", "RX-103", "RX-1741", "RX-O1_667", "Radezolid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298012", "category": ["biolink:ChemicalEntity"], "name": "TESIDOLUMAB", "synonym": ["Tesidolumab", "Lfg316", "Tesidolumab", "LFG-316", "LFG316", "NOV-4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298050", "category": ["biolink:ChemicalEntity"], "name": "TIRAGOLUMAB", "synonym": ["Tiragolumab", "Mtig 7192a", "Mtig7192a", "Tiragolumab", "MTIG-7192A", "MTIG7192A", "RG-6058", "RG6058", "RO-7092284", "RO7092284", "Tiragolumab"]}
{"name": "T-cell immunoreceptor with Ig and ITIM domains", "xref": ["CHEMBL.TARGET:CHEMBL4630878"], "id": "UniProtKB:Q495A1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740383", "category": ["biolink:ChemicalEntity"], "name": "ETRUMADENANT", "xref": ["InChIKey:BUXIAWLTBSXYSW-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cccc(C(C)(C)O)n3)nn2)nc(N)n1"], "synonym": ["Etrumadenant", "Ab928", "Etrumadenant", "AB-928", "AB928", "Etrumadenant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298023", "category": ["biolink:ChemicalEntity"], "name": "M-1095", "synonym": ["Sonelokimab", "M-1095", "M1095", "ALX-0761", "ALX0761", "M-1095", "M1095"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298034", "category": ["biolink:ChemicalEntity"], "name": "MEDI-8852", "synonym": ["Medi 8852", "Medi-8852", "Medi8852", "Pan-influenza a mab medi8852", "MEDI-8852", "MEDI8852"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298085", "category": ["biolink:ChemicalEntity"], "name": "FIANLIMAB", "synonym": ["Fianlimab", "Fianlimab", "Regn3767", "REGN-3767", "REGN3767", "Fianlimab"]}
{"name": "Glypican-3", "xref": ["CHEMBL.TARGET:CHEMBL4630889"], "id": "UniProtKB:P51654", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091374", "category": ["biolink:ChemicalEntity"], "name": "LANIFIBRANOR", "xref": ["InChIKey:OQDQIFQRNZIEEJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1"], "synonym": ["Lanifibranor", "Iva337", "Lanifibranor", "IVA-337", "IVA337"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971095", "category": ["biolink:ChemicalEntity"], "name": "RUZASVIR", "xref": ["InChIKey:AXWDHVUJXNOWCC-RAEGKSCOSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@@H](c2cnc(C4CC4)s2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"], "synonym": ["Ruzasvir", "Ruzasvir", "MK-8408", "Ruzasvir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121849", "category": ["biolink:ChemicalEntity"], "name": "RAVIDASVIR", "xref": ["InChIKey:LCHMHYPWGWYXEL-ZYADHFCISA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3cc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc3c2)c[nH]1)C(C)C"], "synonym": ["Ravidasvir", "Ravidasvir", "Ravidasvir", "BI 238630", "BI-238630", "C5", "PPI-668 free base", "Ravidasvir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301829", "category": ["biolink:ChemicalEntity"], "name": "CP-195543", "xref": ["InChIKey:NZQDWKCNBOELAI-KSFYIVLOSA-N", "SMILES:O=C(O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O"], "synonym": ["Cp-195,543", "Cp-195543", "CP-195,543"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297404", "category": ["biolink:ChemicalEntity"], "name": "MK-0767", "xref": ["InChIKey:ORZMUVMQJPGFOM-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2OC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1"], "synonym": ["Mk-0767", "Mk0767", "MK 0767"]}
{"id": "CHEMBL.COMPOUND:CHEMBL288149", "category": ["biolink:ChemicalEntity"], "name": "SUTEZOLID", "xref": ["InChIKey:FNDDDNOJWPQCBZ-ZDUSSCGKSA-N", "SMILES:CC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1"], "synonym": ["Sutezolid", "Oxazolidininone", "Sutezolid", "U-100480", "NSC-742407", "PNU-100480", "U 100480", "U-480", "U100480", "Sutezolid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933350", "category": ["biolink:ChemicalEntity"], "name": "MK-3577", "xref": ["InChIKey:FYRJJCYFYLLOSC-LXFBAYGMSA-N", "SMILES:CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12"], "synonym": ["Mk-3577"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353541", "category": ["biolink:ChemicalEntity"], "name": "GLPG-0974", "xref": ["InChIKey:MPMKMQHJHDHPBE-RUZDIDTESA-N", "SMILES:C[C@]1(C(=O)N(CCCC(=O)O)Cc2cccc(Cl)c2)CCN1C(=O)c1csc2ccccc12"], "synonym": ["Glpg-0974", "Glpg0974", "GLPG-0974", "GLPG0974"]}
{"name": "Free fatty acid receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5493"], "id": "UniProtKB:O15552", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287379", "category": ["biolink:ChemicalEntity"], "name": "CONTEZOLID", "xref": ["InChIKey:SULYVXZZUMRQAX-NSHDSACASA-N", "SMILES:O=C1C=CN(c2c(F)cc(N3C[C@H](CNc4ccon4)OC3=O)c(F)c2F)CC1"], "synonym": ["Contezolid", "Contezolid", "Mrx-i", "MRX-1", "MRX-I", "Contezolid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673408", "category": ["biolink:ChemicalEntity"], "name": "DELPAZOLID", "xref": ["InChIKey:QLUWQAFDTNAYPN-LLVKDONJSA-N", "SMILES:CN1CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)C=N1"], "synonym": ["Delpazolid", "Delpazolid", "Lcb01-0371", "LCB-01-0371", "LCB-010371"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176", "category": ["biolink:ChemicalEntity"], "name": "BEKANAMYCIN", "xref": ["InChIKey:SKKLOUVUUNMCJE-FQSMHNGLSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O"], "synonym": ["Bekanamycin", "Bekanamycin", "Bekanamycine", "Bekanamicina", "Kanamycin b", "Bekanamycin", "Nebramycin v", "NK 1006", "NK-1006"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3716365", "category": ["biolink:ChemicalEntity"], "name": "GLPG-1205", "xref": ["InChIKey:IRBAWVGZNJIROV-SFHVURJKSA-N", "SMILES:O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2"], "synonym": ["Glpg-1205", "Glpg1205"]}
{"name": "G-protein coupled receptor 84", "xref": ["CHEMBL.TARGET:CHEMBL3714079"], "id": "UniProtKB:Q9NQS5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297268", "category": ["biolink:ChemicalEntity"], "name": "BMS-275183", "xref": ["InChIKey:AHXICHPPXIGCBN-GPWPDEGDSA-N", "SMILES:COC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"], "synonym": ["Bms 275183", "Bms-275183"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL39541", "category": ["biolink:ChemicalEntity"], "name": "DOLASTATIN-10", "xref": ["InChIKey:OFDNQWIFNXBECV-VFSYNPLYSA-N", "SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C"], "synonym": ["Dolastatin 10", "Dolastatin-10", "Dolostatin 10"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297245", "category": ["biolink:ChemicalEntity"], "name": "DONANEMAB", "synonym": ["Donanemab", "Donanemab", "Donanemab-azbt", "Donanemab", "Donanemab", "Donanemab-azbt", "Kisunla", "LY 3002813", "LY-3002813", "LY3002813", "Kisunla", "Donanemab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL96172", "category": ["biolink:ChemicalEntity"], "name": "EPOTHILONE D", "xref": ["InChIKey:XOZIUKBZLSUILX-GIQCAXHBSA-N", "SMILES:C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1"], "synonym": ["Epothilone d", "(-)-desoxyepothilone b", "12,13-desoxyepothilone b", "12,13-desoxyepothilone b, cis", "Desoxyepothilone b", "Epothilone d", "KOS-862", "NSC-703147", "R-1492", "R1492"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297296", "category": ["biolink:ChemicalEntity"], "name": "KOS-1584", "xref": ["InChIKey:XAYAKDZVINDZGB-BMVMHAJPSA-N", "SMILES:C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C1"], "synonym": ["(e)-9,10-dehydroepothilone d", "(e)-9,10-didehydroepothilone d", "9,10-trans-dehydroepothilone d", "Dehydelone", "Kos-1584", "R-1645", "R1645"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4279455", "category": ["biolink:ChemicalEntity"], "name": "LAROTAXEL", "xref": ["InChIKey:DXOJIXGRFSHVKA-BZVZGCBYSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C"], "synonym": ["Larotaxel", "Larotaxel", "Xrp9881", "XRP-9881", "XRP9881"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297441", "category": ["biolink:ChemicalEntity"], "name": "PACLITAXEL DOCOSAHEXAENOIC ACID", "xref": ["InChIKey:LRCZQSDQZJBHAF-PUBGEWHCSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1"], "synonym": ["Dha paclitaxel", "Dha-paclitaxel", "Paclitaxel docosahexaenoic acid", "Paclitaxel-dha", "Taxoprexin"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL280527", "category": ["biolink:ChemicalEntity"], "name": "ATEVIRDINE MESYLATE", "xref": ["InChIKey:UCPOMLWZWRTIAA-UHFFFAOYSA-N", "SMILES:CCNc1cccnc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1"], "synonym": ["Atevirdine", "Atevirdina", "Atevirdine methanesulfonate", "Atevirdine mesilate", "Atevirdine mesylate", "U-87201E", "Atevirdine mesylate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1630842", "category": ["biolink:ChemicalEntity"], "name": "BILR 355", "xref": ["InChIKey:BEMBRAMZGVDPMH-UHFFFAOYSA-N", "SMILES:CCN1c2ncc(CCOc3cc[n+]([O-])c4ccccc34)cc2C(=O)N(C)c2cccnc21"], "synonym": ["Bilr 355"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38700", "category": ["biolink:ChemicalEntity"], "name": "ELVUCITABINE", "xref": ["InChIKey:HSBKFSPNDWWPSL-VDTYLAMSSA-N", "SMILES:Nc1nc(=O)n([C@@H]2C=C[C@H](CO)O2)cc1F"], "synonym": ["Elvucitabine", "Elvucitabina", ".beta.-l-fd4c", "Beta-l-fd4c", "Elvucitabine", "L-fd4c", "ACH-126,443", "ACH-126443", "Elvucitabine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL35033", "category": ["biolink:ChemicalEntity"], "name": "EMIVIRINE", "xref": ["InChIKey:MLILORUFDVLTSP-UHFFFAOYSA-N", "SMILES:CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O"], "synonym": ["Emivirine", "Emivirina", "Emivirine", "MKC-442", "Coactinon", "Emivirine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL571987", "category": ["biolink:ChemicalEntity"], "name": "LERSIVIRINE", "xref": ["InChIKey:MCPUZZJBAHRIPO-UHFFFAOYSA-N", "SMILES:CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(C#N)c1"], "synonym": ["Lersivirine", "Lersivirina", "Lersivirine", "UK-453,061", "UK-453061", "Lersivirine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1649931", "category": ["biolink:ChemicalEntity"], "name": "PF-232798", "xref": ["InChIKey:QETUKYDWZIRTEI-QUMGSSFMSA-N", "SMILES:CC(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1cccc(F)c1"], "synonym": ["Pf-00232798", "Pf-232798"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210651", "category": ["biolink:ChemicalEntity"], "name": "APRICITABINE", "xref": ["InChIKey:RYMCFYKJDVMSIR-RNFRBKRXSA-N", "SMILES:Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1"], "synonym": ["Apricitabine", "Apricitabina", "Apricitabine", "Apricitabine", "AVX-754", "BCH-10618", "BCH-10652, (-)-", "SPD -754", "SPD-754", "SPD754"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594355", "category": ["biolink:ChemicalEntity"], "name": "APL-501", "synonym": ["Geptanolimab", "Apl-501", "Gb226", "Genolimzumab", "APL-501", "CBT-501", "GB-226", "GB226"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298001", "category": ["biolink:ChemicalEntity"], "name": "CETRELIMAB", "synonym": ["Cetrelimab", "Cetrelimab", "Jnj 63723283", "Jnj-63723283", "JNJ-63723283", "JNJ63723283", "Cetrelimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298006", "category": ["biolink:ChemicalEntity"], "name": "ENVAFOLIMAB", "synonym": ["Envafolimab", "Asc22", "Envafolimab", "Kn 035", "Kn035", "ASC-22", "ASC22", "KN-035", "KN035"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594352", "category": ["biolink:ChemicalEntity"], "name": "TLC-388", "xref": ["InChIKey:JCCCLGDYMMTBPM-HXDHBHDHSA-N", "SMILES:CC[C@@]1(OC(=O)C(C)ON=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1"], "synonym": ["Lipotecan", "Lipothecan free base", "Tlc-388"]}
{"id": "CHEMBL.COMPOUND:CHEMBL306280", "category": ["biolink:ChemicalEntity"], "name": "DIFLOMOTECAN", "xref": ["InChIKey:LFQCJSBXBZRMTN-OAQYLSRUSA-N", "SMILES:CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)c(F)cc3nc2-1"], "synonym": ["Diflomotecan", "Diflomotecan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77305", "category": ["biolink:ChemicalEntity"], "name": "RUBITECAN", "xref": ["InChIKey:VHXNKPBCCMUMSW-FQEVSTJZSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1"], "synonym": ["Rubitecan", "Rubitecan", "9-nc", "9-nitro-20(s)-camptothecin", "9-nitro-20-(s)-camptothecin", "9-nitrocamptothecin", "Rubitecan", "RFS 2000", "RFS-2000", "RFS2000", "Rubitecan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1213456", "category": ["biolink:ChemicalEntity"], "name": "NEMONOXACIN", "xref": ["InChIKey:AVPQPGFLVZTJOR-RYUDHWBXSA-N", "SMILES:COc1c(N2C[C@@H](C)C[C@H](N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12"], "synonym": ["Nemonoxacin", "Nemonoxacin", "Nemonoxacine", "Nemonoxacino", "Nemonoxacin", "TG-873870"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL267648", "category": ["biolink:ChemicalEntity"], "name": "PEFLOXACIN", "xref": ["InChIKey:FHFYDNQZQSQIAI-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21"], "synonym": ["Pefloxacin", "Pefloxacin", "Pefloxacin", "Pefloxacin", "Pefloxacine", "Pefloxacino", "1589 RB", "1589-RB", "EU-5306", "Pefloxacin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256978", "category": ["biolink:ChemicalEntity"], "name": "GSK-364735", "xref": ["InChIKey:QWLNINWUBHHOLU-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21"], "synonym": ["Gsk-364735", "GSK364735", "S-364735", "S/GSK 364735", "S/GSK-364735"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623290", "category": ["biolink:ChemicalEntity"], "name": "AZD-3759", "xref": ["InChIKey:MXDSJQHFFDGFDK-CYBMUJFWSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C"], "synonym": ["Zorifertinib", "Azd 3759", "Azd-3759", "Azd3759", "Zorifertinib", "AZD3759"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076467", "category": ["biolink:ChemicalEntity"], "name": "ABT-072", "xref": ["InChIKey:XMZSTQYSBYEENY-RMKNXTFCSA-N", "SMILES:COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C"], "synonym": ["Abt 072", "Abt-072", "ABT-072", "ABT072"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490672", "category": ["biolink:ChemicalEntity"], "name": "FILIBUVIR", "xref": ["InChIKey:SLVAPEZTBDBAPI-GDLZYMKVSA-N", "SMILES:CCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1"], "synonym": ["Filibuvir", "Filibuvir", "PF-00868554", "PF-868554", "Filibuvir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544977", "category": ["biolink:ChemicalEntity"], "name": "ODALASVIR", "xref": ["InChIKey:LSYBRGMTRKJATA-IVEWBXRVSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1[C@H](c2nc3cc(-c4cc5ccc4CCc4ccc(c(-c6ccc7[nH]c([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@@H](NC(=O)OC)C(C)C)nc7c6)c4)CC5)ccc3[nH]2)C[C@@H]2CCCC[C@@H]21)C(C)C"], "synonym": ["Odalasvir", "Odalasvir", "ACH-0143102", "ACH-3102", "Odalasvir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297838", "category": ["biolink:ChemicalEntity"], "name": "TILSOTOLIMOD", "synonym": ["Tilsotolimod", "Tilsotolimod", "IMO-2125", "Tilsotolimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297994", "category": ["biolink:ChemicalEntity"], "name": "TILSOTOLIMOD SODIUM", "synonym": ["Tilsotolimod sodium", "IMO-2125 sodium", "TLR9 AGONIST IMO-2125", "Tilsotolimod sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297492", "category": ["biolink:ChemicalEntity"], "name": "GSK-2245035", "xref": ["InChIKey:LFMPVTVPXHNXOT-HNNXBMFYSA-N", "SMILES:CCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCCCCN3CCCCC3)c2n1"], "synonym": ["Gsk-2245035", "Gsk2245035", "GSK-2245035", "GSK2245035"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594258", "category": ["biolink:ChemicalEntity"], "name": "SELGANTOLIMOD", "xref": ["InChIKey:HTCJUBZBSJQWBW-CQSZACIVSA-N", "SMILES:CCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12"], "synonym": ["Selgantolimod", "Gs-9688", "Selgantolimod", "GS-9688", "Selgantolimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217292", "category": ["biolink:ChemicalEntity"], "name": "APINOCALTAMIDE", "xref": ["InChIKey:LSYANGLAZUZYFX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1"], "synonym": ["Apinocaltamide", "Apinocaltamide", "Apinocaltamida", "Act-709478", "Apinocaltamide", "Nbi-827104", "ACT-709478", "NBI-827104", "Apinocaltamide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594403", "category": ["biolink:ChemicalEntity"], "name": "OSAVAMPATOR", "xref": ["InChIKey:PXJBHEHFVQVDDS-UHFFFAOYSA-N", "SMILES:CC1=CN2CCS(=O)(=O)N=C2C(c2ccc(OC3CCCCC3)cc2)=N1"], "synonym": ["Osavampator", "Osavampator", "Osavampator", "Osavampator", "Tak-653"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112797", "category": ["biolink:ChemicalEntity"], "name": "SGS-742", "xref": ["InChIKey:ONNMDRQRSGKZCN-UHFFFAOYSA-N", "SMILES:CCCCP(=O)(O)CCCN"], "synonym": ["Sgs 742", "Sgs-742", "Sgs742", "CGP-36742", "LU-AE-58479", "SGS742"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4298013", "category": ["biolink:ChemicalEntity"], "name": "ELGEMTUMAB", "synonym": ["Elgemtumab", "69745p00p9", "Elgemtumab", "Ljm716", "LJM-716", "LJM716", "NOV-6"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298093", "category": ["biolink:ChemicalEntity"], "name": "SEMORINEMAB", "synonym": ["Semorinemab", "Ro7105705", "Semorinemab", "MTAU-9937A", "MTAU9937A", "RO-7105705", "RO7105705", "Semorinemab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990042", "category": ["biolink:ChemicalEntity"], "name": "GOSURANEMAB", "synonym": ["Gosuranemab", "Biib-092", "Gosuranemab", "BIIB092", "BMS-986168", "BMS-986168-01", "BMS986168", "IPN-007", "Gosuranemab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298021", "category": ["biolink:ChemicalEntity"], "name": "ZAGOTENEMAB", "synonym": ["Zagotenemab", "Ly3303560", "Zagotenemab", "LY-3303560", "LY3303560", "Zagotenemab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL298019", "category": ["biolink:ChemicalEntity"], "name": "PIRODAVIR", "xref": ["InChIKey:KCHIOGFOPPOUJC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1"], "synonym": ["Pirodavir", "Pirodavir", "R 77975", "R-77975", "R77975", "Pirodavir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989990", "category": ["biolink:ChemicalEntity"], "name": "ISTIRATUMAB", "synonym": ["Istiratumab", "Istiratumab", "MM-005", "MM-141", "Istiratumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298025", "category": ["biolink:ChemicalEntity"], "name": "ZENOCUTUZUMAB", "synonym": ["Zenocutuzumab", "Zenocutuzumab-zbco", "Zenocutuzumab", "Mcla 128", "Mcla-128", "Zenocutuzumab", "MCLA-128", "MCLA128", "Bizengri", "Zenocutuzumab"], "chembl_availability_type": "prescription only"}
{"name": "Interleukin-17F", "xref": ["CHEMBL.TARGET:CHEMBL4630880"], "id": "UniProtKB:Q96PD4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615933", "category": ["biolink:ChemicalEntity"], "name": "OMIGANAN", "xref": ["InChIKey:MVPAMLBUDIFYGK-BHDRXCTLSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"], "synonym": ["Omiganan", "Omiganan", "Omiganan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134561", "category": ["biolink:ChemicalEntity"], "name": "ICLAPRIM", "xref": ["InChIKey:HWJPWWYTGBZDEG-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)OC(C1CC1)C=C2"], "synonym": ["Iclaprim", "Iclaprim", "Iclaprime", "Iclaprim", "Iclaprim", "AR-100", "RO 48-2622", "RO-48-2622", "Ro-482622", "Iclaprim"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594579", "category": ["biolink:ChemicalEntity"], "name": "FELZARTAMAB", "synonym": ["Felzartamab", "Felzartamab", "Mor03087", "Mor202", "MOR-03087", "MOR-202", "MOR03087", "TJ-202", "TJ202"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594357", "category": ["biolink:ChemicalEntity"], "name": "IANALUMAB", "synonym": ["Ianalumab", "Ianalumab", "Vay736", "NVP-VAY736", "VAY-736", "VAY736", "Ianalumab"]}
{"name": "Tumor necrosis factor receptor superfamily member 13C", "xref": ["CHEMBL.TARGET:CHEMBL4630882"], "id": "UniProtKB:Q96RJ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2111084", "category": ["biolink:ChemicalEntity"], "name": "BELOTECAN", "xref": ["InChIKey:LNHWXBUNXOXMRL-VWLOTQADSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C"], "synonym": ["Belotecan", "Belotecan", "Belotecan", "Belotecan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4105584", "category": ["biolink:ChemicalEntity"], "name": "BECLABUVIR", "xref": ["InChIKey:ZTTKEBYSXUCBSE-QDFUAKMASA-N", "SMILES:COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21"], "synonym": ["Beclabuvir", "Beclabuvir", "Beclabuvir", "BMS-791325", "Beclabuvir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1684950", "category": ["biolink:ChemicalEntity"], "name": "SUVECALTAMIDE", "xref": ["InChIKey:IQIKXZMPPBEWAD-CQSZACIVSA-N", "SMILES:CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1"], "synonym": ["Suvecaltamide", "Cx-8998", "Mk-8998", "Suvecaltamide", "CX-8998", "JZP-385", "JZP385", "MK-8998", "Suvecaltamide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297680", "category": ["biolink:ChemicalEntity"], "name": "1018 ISS", "synonym": ["1018 iss", "Cpg 1018", "Cpg oligonucleotide 1018 iss", "Iss 1018", "Iss 1018 cpg oligodeoxynucleotide", "Iss-1018", "1018 ISS", "CPG-1018"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761468", "category": ["biolink:ChemicalEntity"], "name": "AUMOLERTINIB", "xref": ["InChIKey:DOEOECWDNSEFDN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"], "synonym": ["Aumolertinib", "Aumolertinib", "Almonertinib", "Ameile", "Amerol", "Aumolertinib", "Egfr t790m inhibitor hs-10296", "Hs 10296", "Hs-10296", "EQ-143", "EQ143", "HS-10206", "HS-10296", "Ameile", "Amerol", "Aumolertinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562967", "category": ["biolink:ChemicalEntity"], "name": "MERICITABINE", "xref": ["InChIKey:MLESJYFEMSJZLZ-MAAOGQSESA-N", "SMILES:CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C"], "synonym": ["Mericitabine", "Mericitabina", "Mericitabine", "3',5'-DIISOBUTYRYL PSI 6130", "3',5'-DIISOBUTYRYL PSI6130", "PSI 6130 DIISOBUTYRATE", "PSI6130 DIISOBUTYRATE", "R 7128", "R-7128", "R7128", "RG 7128", "RG7128", "RO-5024048", "RO5024048", "Ro5024048; r7128", "Mericitabine"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL218227", "category": ["biolink:ChemicalEntity"], "name": "S-1360", "xref": ["InChIKey:HFHDGHOGHWXXDT-ZSOIEALJSA-N", "SMILES:O=C(/C=C(\\O)c1nc[nH]n1)c1ccc(Cc2ccc(F)cc2)o1"], "synonym": ["Gw810781", "S-1360", "GSK-S-1360", "GW-810781", "GW810781", "S 1360"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103797", "category": ["biolink:ChemicalEntity"], "name": "BEVASIRANIB SODIUM", "xref": ["InChIKey:JKXXLIACMWFHSH-FIIWBELYSA-A", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)([O-])OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)[nH]c1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"], "synonym": ["CAND5", "Bevasiranib sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2087361", "category": ["biolink:ChemicalEntity"], "name": "ICOTINIB", "xref": ["InChIKey:QQLKULDARVNMAL-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1"], "synonym": ["Icotinib", "Bpi-2009", "Icotinib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297356", "category": ["biolink:ChemicalEntity"], "name": "AZD-8848", "xref": ["InChIKey:FEFIBEHSXLKJGI-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(CCCN3CCOCC3)Cc3cccc(CC(=O)OC)c3)c2n1"], "synonym": ["Azd 8848", "Azd-8848", "Azd8848", "Dsp-3025", "AZD8848", "DSP-3025"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467399", "category": ["biolink:ChemicalEntity"], "name": "BIIB021", "xref": ["InChIKey:QULDDKSCVCJTPV-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C"], "synonym": ["Biib021", "Cf1983", "Cnf-2024", "Cnf2024", "BIIB 021", "BIIB-021", "CNF2024"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297202", "category": ["biolink:ChemicalEntity"], "name": "BIXALOMER", "synonym": ["Bixalomer", "Bixalomere", "Bixalomero", "Bixalomer", "Bixalomer", "Asp1585", "Bixalomer", "Ily101", "Kiklin", "AMG-223", "ASP-1585", "ASP1585", "ILY-101", "ILY101", "Bixalomer"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940890", "category": ["biolink:ChemicalEntity"], "name": "ACORAMIDIS", "xref": ["InChIKey:WBFUHHBPNXWNCC-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1CCCOc1cc(C(=O)O)ccc1F"], "synonym": ["Acoramidis", "Acoramidis", "Acoramidis", "AG-10", "AG10", "Acoramidis"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297270", "category": ["biolink:ChemicalEntity"], "name": "BMS-986020", "xref": ["InChIKey:GQBRZBHEPUQRPL-LJQANCHMSA-N", "SMILES:Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1"], "synonym": ["Bms-986020", "AP-3152 FREE ACID"]}
{"name": "Lysophosphatidic acid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3819"], "id": "UniProtKB:Q92633", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716552", "category": ["biolink:ChemicalEntity"], "name": "BMS-986141", "xref": ["InChIKey:KEEBLYWBELVGPQ-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"], "synonym": ["Bms-986141", "BMS-986141", "UDM-003183"]}
{"name": "Proteinase-activated receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL4691"], "id": "UniProtKB:Q96RI0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188185", "category": ["biolink:ChemicalEntity"], "name": "BUNAZOSIN", "xref": ["InChIKey:RHLJLALHBZGAFM-UHFFFAOYSA-N", "SMILES:CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1"], "synonym": ["Bunazosin", "Bunazosine", "Bunazosina", "Bunazosin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL113313", "category": ["biolink:ChemicalEntity"], "name": "CAPROMORELIN", "xref": ["InChIKey:KVLLHLWBPNCVNR-SKCUWOTOSA-N", "SMILES:CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O"], "synonym": ["Capromorelin", "Capromoreline", "Capromorelina", "Capromorelin", "Capimorelin", "Capromorelin", "Cp-424,391", "Cp-424391", "CP-424,391"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297566", "category": ["biolink:ChemicalEntity"], "name": "CASIMERSEN", "synonym": ["Casimersen", "Casimersen", "Casimersen", "Casimersen", "EXON-45: NG-12-0064", "SRP-4045", "Amondys 45", "Casimersen"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201457", "category": ["biolink:ChemicalEntity"], "name": "CELLULOSE SODIUM PHOSPHATE", "synonym": ["Sodium cellulose phosphate", "Sodium cellulose phosphate", "Cellulose sodium phosphate", "Cellulose disodium phosphate", "Calcibind", "Calcisorb", "Cellulose sodium phosphate", "Cellulose sodium phosphate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL439338", "category": ["biolink:ChemicalEntity"], "name": "ABT-925", "xref": ["InChIKey:KXVAICSRMHXLJN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(N2CCN(CCCSc3nccc(O)n3)CC2)cc(C(F)(F)F)n1"], "synonym": ["Abt-925", "A-437203"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989904", "category": ["biolink:ChemicalEntity"], "name": "CETHROMYCIN", "xref": ["InChIKey:PENDGIOBPJLVBT-AMXFZXBBSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C"], "synonym": ["Cethromycin", "Cethromycine", "Cetromicina", "Cethromycin", "Cethromycin", "A-195773", "ABBOTT-195773", "ABT-773", "Cethromycin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103825", "category": ["biolink:ChemicalEntity"], "name": "CETILISTAT", "xref": ["InChIKey:MVCQKIKWYUURMU-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1"], "synonym": ["Cetilistat", "Cetilistat", "Cetilistat", "Cetilistat", "Cetilistat", "ATL-962", "Cetilistat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3408947", "category": ["biolink:ChemicalEntity"], "name": "OCIFISERTIB", "xref": ["InChIKey:DADASRPKWOGKCU-FVTQAUBDSA-N", "SMILES:COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2"], "synonym": ["Ocifisertib", "Ocifisertib", "Ocifisertib", "Cfi-400945 free base", "Ocifisertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544919", "category": ["biolink:ChemicalEntity"], "name": "CIRAPARANTAG", "xref": ["InChIKey:HRDUUSCYRPOMSO-ROUUACIJSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NCCCN1CCN(CCCNC(=O)[C@@H](N)CCCNC(=N)N)CC1"], "synonym": ["Ciraparantag", "Ciraparantag", "PER-977", "PER977", "Ciraparantag"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989993", "category": ["biolink:ChemicalEntity"], "name": "COBOMARSEN", "synonym": ["Cobomarsen", "Cobomarsen", "M-11667 FREE ACID", "M11667", "M11667 FREE ACID", "MRG-106", "MRG-106 FREE ACID", "Cobomarsen"]}
{"id": "CHEMBL.TARGET:CHEMBL4630577", "category": ["biolink:NucleicAcidEntity"], "name": "microRNA-155"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297730", "category": ["biolink:ChemicalEntity"], "name": "CONCIZUMAB", "synonym": ["Concizumab", "Concizumab", "Concizumab-mtci", "Concizumab", "Concizumab", "Nnc172-2021", "Anti-TFPI", "MAB-2021", "NN-7415", "NN7415", "NNC 0172-0000-2021", "NNC-0172-0000-2021", "NNC0172-2021", "NNC01722021", "mAb2021", "Alhemo", "Concizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108585", "category": ["biolink:ChemicalEntity"], "name": "CONTUSUGENE LADENOVEC", "synonym": ["Contusugene ladenovec", "Contusugen ladenovec", "Contusugene ladenovec", "AD5CMV-P53", "INGN 201", "INGN-201", "Advexin", "Contusugene ladenovec"]}
{"name": "Cellular tumor antigen p53", "xref": ["CHEMBL.TARGET:CHEMBL4096"], "id": "UniProtKB:P04637", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067994", "category": ["biolink:ChemicalEntity"], "name": "VORBIPIPRANT", "xref": ["InChIKey:CADWTPLFEZSAHM-OAQYLSRUSA-N", "SMILES:O=C(O)c1ccc(C2(NC(=O)[C@H]3CC4(CCN3Cc3ccc(C(F)(F)F)cc3)CC4)CC2)cc1"], "synonym": ["Vorbipiprant", "Vorbipiprant", "Vorbipiprant", "Cr 6086", "Cr-6086", "Cr6086", "Vorbipiprant", "CR-6086", "CR6086", "Vorbipiprant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108309", "category": ["biolink:ChemicalEntity"], "name": "CUSTIRSEN", "synonym": ["Custirsen", "Custirsen", "ISIS-112989 FREE ACID", "OGX-011 FREE ACID"]}
{"id": "CHEMBL.TARGET:CHEMBL4630579", "category": ["biolink:NucleicAcidEntity"], "name": "Clusterin mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL2219773", "category": ["biolink:ChemicalEntity"], "name": "CUSTIRSEN SODIUM", "synonym": ["Custirsen sodium", "Ogx 011", "ISIS 112989", "ISIS-112989", "OGX-011", "Custirsen sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129286", "category": ["biolink:ChemicalEntity"], "name": "ADAFOSBUVIR", "xref": ["InChIKey:NIJYGVDQZBBONK-SEUXLIJBSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1"], "synonym": ["Adafosbuvir", "Adafosbuvir", "Al-335", "AL-335", "JNJ-335", "Adafosbuvir"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL84158", "category": ["biolink:ChemicalEntity"], "name": "TIAPRIDE", "xref": ["InChIKey:JTVPZMFULRWINT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC"], "synonym": ["Tiapride", "Tiapride", "Tiaprida", "Tiapride", "NSC-758225"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3916243", "category": ["biolink:ChemicalEntity"], "name": "ATABECESTAT", "xref": ["InChIKey:VLLFGVHGKLDDLW-SFHVURJKSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C=CSC(N)=N1"], "synonym": ["Atabecestat", "Atabecestat", "Jnj-54861911", "JNJ-54861911", "JNJ-54861911-AAA", "RSC- 385896", "RSC-385896", "Atabecestat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2263632", "category": ["biolink:ChemicalEntity"], "name": "ASLAN-003", "xref": ["InChIKey:OMPATGZMNFWVOH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1"], "synonym": ["Farudodstat", "Aslan-003", "Aslan003", "ASLAN-003", "ASLAN003"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297609", "category": ["biolink:ChemicalEntity"], "name": "OLOROFIM", "xref": ["InChIKey:SUFPWYYDCOKDLL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4ncc(F)cn4)CC3)cc2)n1C"], "synonym": ["Olorofim", "F-901318", "F901318", "Olorofim", "F901318", "Olorofim"]}
{"name": "Dihydroorotate dehydrogenase (quinone), mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4630893"], "id": "UniProtKB:A0A0J5PZ55", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1437362"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234237", "category": ["biolink:ChemicalEntity"], "name": "JNJ-37822681", "xref": ["InChIKey:UVUYWJWYRLJHEN-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1F"], "synonym": ["Jnj-37822681", "JNJ-37822681"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204263", "category": ["biolink:ChemicalEntity"], "name": "JNJ-41443532", "xref": ["InChIKey:CFKBNYUHQSQBSX-CYWCHRQTSA-N", "SMILES:O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1"], "synonym": ["Jnj-41443532"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297589", "category": ["biolink:ChemicalEntity"], "name": "SELATOGREL", "xref": ["InChIKey:FYXHWMQPCJOJCH-GMAHTHKFSA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1"], "synonym": ["Selatogrel", "Act-246475", "Selatogrel", "ACT-246475"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297505", "category": ["biolink:ChemicalEntity"], "name": "CENERIMOD", "xref": ["InChIKey:KJKKMMMRWISKRF-FQEVSTJZSA-N", "SMILES:CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CO"], "synonym": ["Cenerimod", "Act-334441", "Cenerimod", "ACT-334441", "ACT334441", "Cenerimod"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL837", "category": ["biolink:ChemicalEntity"], "name": "7-ETHYL-10-HYDROXYCAMPTOTHECIN", "xref": ["InChIKey:FJHBVJOVLFPMQE-QFIPXVFZSA-N", "SMILES:CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"], "synonym": ["7-ethyl-10-hydroxy-camptothecin", "7-ethyl-10-hydroxycamptothecin", "Camptothecin, 7-ethyl-10-hydroxy-", "It-141", "Nk012", "IT-141", "NK 012", "NK-012", "NK012", "SN 38", "SN-38", "SN38", "Irinotecan related compound b"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297215", "category": ["biolink:ChemicalEntity"], "name": "BALOXAVIR", "xref": ["InChIKey:FIDLLEYNNRGVFR-CTNGQTDRSA-N", "SMILES:O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12"], "synonym": ["Baloxavir", "Baloxavir", "S-033447", "Baloxavir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956820", "category": ["biolink:ChemicalEntity"], "name": "GS-9256", "xref": ["InChIKey:RFGUWOCFYCYEDM-ZOMNBDOOSA-N", "SMILES:COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(P(=O)(O)Cc6c(F)cccc6F)C[C@H]5CCCCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1Cl"], "synonym": ["Gs-9256"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403318", "category": ["biolink:ChemicalEntity"], "name": "DELEOBUVIR", "xref": ["InChIKey:BMAIGAHXAJEULY-UKTHLTGXSA-N", "SMILES:Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Br)cn5)n(C)c4c3)CCC2)nc2ccc(/C=C/C(=O)O)cc21"], "synonym": ["Deleobuvir", "Deleobuvir", "BI 207127", "BI-207127", "Deleobuvir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511099", "category": ["biolink:ChemicalEntity"], "name": "BICIFADINE", "xref": ["InChIKey:OFYVIGTWSQPCLF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C23CNCC2C3)cc1"], "synonym": ["Bicifadine", "Bicifadina", "Bicifadine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL124162", "category": ["biolink:ChemicalEntity"], "name": "CAMPTOTHECIN-20-O-PROPIONATE", "xref": ["InChIKey:YCNIQYLWIPCLNY-QHCPKHFHSA-N", "SMILES:CCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"], "synonym": ["Camptothecin-20-o-propionate", "SF-6A"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297246", "category": ["biolink:ChemicalEntity"], "name": "LADEMIRSEN SODIUM", "synonym": ["RG-012", "RG-012 SODIUM", "RG-456070 SODIUM", "RG456070", "Lademirsen sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297866", "category": ["biolink:ChemicalEntity"], "name": "ABIVERTINIB MALEATE", "xref": ["InChIKey:QITOONQVTOGMOJ-IUJXYRIYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1.O.O.O=C(O)/C=C\\C(=O)O"], "synonym": ["Abivertinib maleate", "Abivertinib maleate dihydrate", "Ac0010 maleate dihydrate", "Ac0010ma", "Sti-5656", "A-610MA", "A610MA", "AC-0010MA", "AC0010MA", "ACEA-100610MA", "ACEA100610MA", "EX-ACEA-0010MA", "EX-ACEA0010MA", "Abivertinib maleate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297865", "category": ["biolink:ChemicalEntity"], "name": "ABIVERTINIB", "xref": ["InChIKey:UOFYSRZSLXWIQB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1"], "synonym": ["Abivertinib", "Abivertinib", "Ac0010", "Avitinib", "A610", "AC-0010", "AC0010", "ACEA100610", "EX-ACEA0010", "Abivertinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297297", "category": ["biolink:ChemicalEntity"], "name": "KP-1461", "xref": ["InChIKey:SZWIAFVYPPMZML-YNEHKIRRSA-N", "SMILES:CCCCCCCOC(=O)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)CN1"], "synonym": ["Kp 1461", "Kp-1461"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL363449", "category": ["biolink:ChemicalEntity"], "name": "NADIFLOXACIN", "xref": ["InChIKey:JYJTVFIEFKZWCJ-UHFFFAOYSA-N", "SMILES:CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23"], "synonym": ["Nadifloxacin", "Nadifloxacin", "Nadifloxacine", "Nadifloxacino", "Nadifloxacin", "Acuatim", "Jinofloxacin", "Nadifloxacin", "NSC-759622", "OPC 7251", "OPC-7251"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614650", "category": ["biolink:ChemicalEntity"], "name": "EXATECAN", "xref": ["InChIKey:ZVYVPGLRVWUPMP-FYSMJZIKSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3"], "synonym": ["Exatecan", "DX-8951"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108470", "category": ["biolink:ChemicalEntity"], "name": "MURELETECAN", "synonym": ["Mureletecan", "Mag-camptothecin", "Mag-cpt", "Mureletecan", "PNU-166148"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105857", "category": ["biolink:ChemicalEntity"], "name": "AFELETECAN", "xref": ["InChIKey:SLOJCSGNHWIKIG-JNYZSSQASA-N", "SMILES:CC[C@@]1(OC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=S)Nc2ccc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]3O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"], "synonym": ["Afeletecan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3301601", "category": ["biolink:ChemicalEntity"], "name": "VERUBECESTAT", "xref": ["InChIKey:YHYKUSGACIYRML-KRWDZBQOSA-N", "SMILES:CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O"], "synonym": ["Verubecestat", "Verubecestat", "MK-8931", "SCH 900931", "SCH-900931", "SCH900931", "Verubecestat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3186011", "category": ["biolink:ChemicalEntity"], "name": "EPRENETAPOPT", "xref": ["InChIKey:BGBNULCRKBVAKL-UHFFFAOYSA-N", "SMILES:COCC1(CO)C(=O)C2CCN1CC2"], "synonym": ["Eprenetapopt", "Apr 246", "Apr-246", "Eprenetapopt", "APR-246", "PRIMA-1Met", "Eprenetapopt"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297577", "category": ["biolink:ChemicalEntity"], "name": "BELAPECTIN", "synonym": ["Belapectin", "Gr-md-02", "GR-MD-02", "Belapectin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297431", "category": ["biolink:ChemicalEntity"], "name": "HENAGLIFLOZIN", "xref": ["InChIKey:HYTPDMFFHVZBOR-VNXMGFANSA-N", "SMILES:CCOc1ccc(Cc2cc([C@@]34OC[C@@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1F"], "synonym": ["Henagliflozin", "Shr3824", "SHR-3824", "SHR3824"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039556", "category": ["biolink:ChemicalEntity"], "name": "APATORSEN", "synonym": ["Apatorsen", "Apatorsen", "OGX-427", "Apatorsen"]}
{"id": "CHEMBL.TARGET:CHEMBL4622823", "category": ["biolink:NucleicAcidEntity"], "name": "Heat shock protein beta-1 (HSP27) mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL3990038", "category": ["biolink:ChemicalEntity"], "name": "FLOTETUZUMAB", "synonym": ["Flotetuzumab", "Flotetuzumab", "MGD-006", "MGD006", "RES-234", "RES234", "S-80880", "S80880", "Flotetuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297290", "category": ["biolink:ChemicalEntity"], "name": "TOVINONTRINE", "xref": ["InChIKey:GWGNPYYVGANHRJ-GDBMZVCRSA-N", "SMILES:C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1cn2c(C3CCOCC3)ncc2c(=O)[nH]1"], "synonym": ["Tovinontrine", "Tovinontrina", "Imr-687", "Tovinontrine", "68722", "AF-68722", "AF68722", "CK-1598", "CK1598", "IMR-687", "Tovinontrine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589583", "category": ["biolink:ChemicalEntity"], "name": "DELAPRIL", "xref": ["InChIKey:WOUOLAUOZXOLJQ-MBSDFSHPSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1"], "synonym": ["Delapril", "Delapril", "Delapril", "Delapril"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3187812", "category": ["biolink:ChemicalEntity"], "name": "ILEPATRIL", "xref": ["InChIKey:FXKFFTMLFPWYFH-RDGPPVDQSA-N", "SMILES:CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O)C(C)C"], "synonym": ["Ilepatril", "Ilepatrilo", "Ave7688", "Ilepatril", "AVE-7688", "AVE7688"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2018096", "category": ["biolink:ChemicalEntity"], "name": "IPRAGLIFLOZIN", "xref": ["InChIKey:AHFWIQIYAXSLBA-RQXATKFSSA-N", "SMILES:OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Ipragliflozin", "Ipragliflozin", "Ipragliflozine", "Ipragliflozina", "Ipragliflozin", "Ipragliflozin", "ASP-1941"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3682589", "category": ["biolink:ChemicalEntity"], "name": "ELISMETREP", "xref": ["InChIKey:CWEFDWIKLABKBX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1"], "synonym": ["Elismetrep", "Elismetrep", "Mt-8554", "MT-8554", "Elismetrep"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444172", "category": ["biolink:ChemicalEntity"], "name": "ZOSUQUIDAR", "xref": ["InChIKey:IHOVFYSQUDPMCN-DBEBIPAYSA-N", "SMILES:O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1"], "synonym": ["Zosuquidar", "Zosuquidar", "Zosuquidar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650215", "category": ["biolink:ChemicalEntity"], "name": "INAVOLISIB", "xref": ["InChIKey:SGEUNORSOZVTOL-CABZTGNLSA-N", "SMILES:C[C@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2)C(N)=O"], "synonym": ["Inavolisib", "Inavolisib", "Gdc-0077", "Inavolisib", "GDC-0077", "GDC0077", "RG-6114", "RG6114", "RO-7113755", "RO7113755", "Itovebi", "Inavolisib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1951143", "category": ["biolink:ChemicalEntity"], "name": "FIMASARTAN", "xref": ["InChIKey:AMEROGPZOLAFBN-UHFFFAOYSA-N", "SMILES:CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"], "synonym": ["Fimasartan", "Fimasartan", "Fimasartan", "Fimasartan component of br1015", "Fimasartan component of br1019"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL114551", "category": ["biolink:ChemicalEntity"], "name": "GW-274150", "xref": ["InChIKey:MOLOJNHYNHBPCW-ZETCQYMHSA-N", "SMILES:CC(=N)NCCSCC[C@H](N)C(=O)O"], "synonym": ["Gw-274150", "GW274150"], "chembl_natural_product": true}
{"name": "Nitric oxide synthase, inducible", "xref": ["CHEMBL.TARGET:CHEMBL4481"], "id": "UniProtKB:P35228", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551813", "category": ["biolink:ChemicalEntity"], "name": "BI-671800", "xref": ["InChIKey:XEOSTBFUCNZKGS-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N(C)C)c1CC(=O)O"], "synonym": ["Actimis", "Bi 671800", "Bi-671800", "BI 671800", "BI671800"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1275802", "category": ["biolink:ChemicalEntity"], "name": "PEXIGANAN", "xref": ["InChIKey:KGZGFSNZWHMDGZ-KAYYGGFYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)C(C)C"], "synonym": ["Pexiganan", "Pexiganan", "Pexiganan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108556", "category": ["biolink:ChemicalEntity"], "name": "PEXIGANAN ACETATE", "synonym": ["Pexiganan acetate", "Locilex", "Pexiganan acetate", "MSI-78", "Cytolex", "Pexiganan acetate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594275", "category": ["biolink:ChemicalEntity"], "name": "GUSACITINIB", "xref": ["InChIKey:NLFLXLJXEIUQDL-UHFFFAOYSA-N", "SMILES:N#CCC1CCN(c2nc(Nc3ccc(N4CCC(O)CC4)cc3)c3c(=O)[nH]ncc3n2)CC1"], "synonym": ["Gusacitinib", "Asn-002", "Asn002", "Gusacitinib", "ASN-002", "ASN002", "EN-3351", "EN3351", "Gusacitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094894", "category": ["biolink:ChemicalEntity"], "name": "CIPEPOFOL", "xref": ["InChIKey:BMEARIQHWSVDBS-SNVBAGLBSA-N", "SMILES:CC(C)c1cccc([C@H](C)C2CC2)c1O"], "synonym": ["Cipepofol", "Cipepofol", "Cipepofol", "Cipepofol", "Ciprofol", "Hsk-3486", "Hsk3486", "HSK-3486", "HSK-3486, (R)-", "HSK3486"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297513", "category": ["biolink:ChemicalEntity"], "name": "IBREXAFUNGERP", "xref": ["InChIKey:BODYFEUFKHPRCK-ZCZMVWJSSA-N", "SMILES:CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@@]4(C)[C@@H](OC[C@](C)(N)C(C)(C)C)[C@H](n4ncnc4-c4ccncc4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O"], "synonym": ["Ibrexafungerp", "Ibrexafungerp", "Ibrexafungerp", "Scy-078", "MK 3118", "MK-3118", "MK-3118 FREE BASE", "MK3118", "SCY-078", "Ibrexafungerp"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108287", "category": ["biolink:ChemicalEntity"], "name": "APRINOCARSEN", "synonym": ["Aprinocarsen", "Aprinocarsen", "Aprinocarsen", "Ly900003", "Pkc-alpha", "LY-900003", "LY900003"]}
{"id": "CHEMBL.TARGET:CHEMBL4622824", "category": ["biolink:NucleicAcidEntity"], "name": "Protein kinase C alpha mRNA 3'UTR"}
{"id": "CHEMBL.COMPOUND:CHEMBL592374", "category": ["biolink:ChemicalEntity"], "name": "AMITIFADINE", "xref": ["InChIKey:BSMNRYCSBFHEMQ-KCJUWKMLSA-N", "SMILES:Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl"], "synonym": ["Amitifadine", "Amitifadina", "DOV 21947", "DOV-21,947", "DOV-21947", "EB1010", "Amitifadine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108895", "category": ["biolink:ChemicalEntity"], "name": "ALICAFORSEN SODIUM", "synonym": ["Alicaforsen", "Alicaforsen sodium", "Alicaforsen nonadecasodium salt", "Alicaforsen nonadecasodium salt", "ISIS 2302", "ISIS-2302", "Alicaforsen sodium"]}
{"id": "CHEMBL.TARGET:CHEMBL4622822", "category": ["biolink:NucleicAcidEntity"], "name": "Intercellular adhesion molecule-1 mRNA 3'UTR"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989690", "category": ["biolink:ChemicalEntity"], "name": "TESOFENSINE", "xref": ["InChIKey:VCVWXKKWDOJNIT-ZOMKSWQUSA-N", "SMILES:CCOC[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C"], "synonym": ["Tesofensine", "Tesofensina", "Tesofensine", "Ns2330", "Tesofensine", "NS 2330", "NS-2330"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1086997", "category": ["biolink:ChemicalEntity"], "name": "LUCERASTAT", "xref": ["InChIKey:UQRORFVVSGFNRO-XFWSIPNHSA-N", "SMILES:CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO"], "synonym": ["Lucerastat", "Lucerastat", "N-butyldeoxygalactonojirimycin", "N-n-butyl deoxygalactonojirimycin", "ACT-434964", "Lucerastat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2165326", "category": ["biolink:ChemicalEntity"], "name": "APROCITENTAN", "xref": ["InChIKey:DKULOVKANLVDEA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1"], "synonym": ["Aprocitentan", "Aprocitentan", "Aprocitentan", "Aprocitentan", "Act-132577", "Aprocitentan", "Macitentan metabolite m6", "Tryvio", "ACT-132577", "Jeraygo", "Tryvio", "Aprocitentan"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3187503", "category": ["biolink:ChemicalEntity"], "name": "GSK-1292263", "xref": ["InChIKey:AYJRTVVIBJSSKN-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1"], "synonym": ["Gsk 1292263", "Gsk-1292263", "Gsk1292263", "GSK-1292263", "GSK-1292263A", "GSK-263A", "GSK1292263"], "chembl_natural_product": true}
{"name": "Glucose-dependent insulinotropic receptor", "xref": ["CHEMBL.TARGET:CHEMBL5652"], "id": "UniProtKB:Q8TDV5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079239", "category": ["biolink:ChemicalEntity"], "name": "JNJ-54175446", "xref": ["InChIKey:CWFVVQFVGMFTBD-SECBINFHSA-N", "SMILES:C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl"], "synonym": ["Jnj-54175446"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650521", "category": ["biolink:ChemicalEntity"], "name": "BATOPROTAFIB", "xref": ["InChIKey:UCJZOKGUEJUNIO-IINYFYTJSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)[C@@H]1N"], "synonym": ["Batoprotafib", "Batoprotafib", "Batoprotafib", "Batoprotafib", "Ptpn11 inhibitor tno155", "Shp2 inhibitor tno155", "Tno 155", "Tno-155", "Tno155", "TNO-155", "TNO155"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 11", "xref": ["CHEMBL.TARGET:CHEMBL3864"], "id": "UniProtKB:Q06124", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297879", "category": ["biolink:ChemicalEntity"], "name": ".ALPHA.1-PROTEINASE INHIBITOR HUMAN", "synonym": ["Alfa1 antitrypsin", ".alpha.1-proteinase inhibitor human", "Human alpha1-proteinase inhibitor", ".alpha.1-antitrypsin", ".alpha.-1 protease inhibitor", ".alpha.1-proteinase inhibitor human", "Alfa1 antitrypsin", "Alpha 1-antitrypsin", "Alpha-1 protease inhibitor", "Alpha-1 proteinase inhibitor (human)", "Alpha-1-antiproteinase", "Alpha-1-antitrypsin", "Alpha1-proteinase inhibitor", "Alpha1-proteinase inhibitor (human)", "Aralast", "Atc-b02ab02", "Glassia", "Human alpha1-proteinase inhibitor", "Prolastin", "Prolastin-c", "Serpin a1", "Serpina1 expressed protein", "Zemaira", "Respreeza"]}
{"name": "Neutrophil elastase", "xref": ["CHEMBL.TARGET:CHEMBL248"], "id": "UniProtKB:P08246", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1199307", "category": ["biolink:ChemicalEntity"], "name": "DISTIGMINE", "xref": ["InChIKey:AHZBEVXBKNYXPU-UHFFFAOYSA-N", "SMILES:CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1"], "synonym": ["Distigmine", "Distigmine cation", "Distigmine ion"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297651", "category": ["biolink:ChemicalEntity"], "name": "ACLIMOSTAT", "xref": ["InChIKey:QJWJPMLDQYEPPW-AUKZVGPFSA-N", "SMILES:CO[C@@H]1[C@H](OC(=O)N2CC(CCN3CCOCC3)C2)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C"], "synonym": ["Aclimostat", "Aclimostat", "Zgn-1061", "ZGN-1061"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297311", "category": ["biolink:ChemicalEntity"], "name": "ONO-2952", "xref": ["InChIKey:ZBQMTQGDBFZUBG-NRFANRHFSA-N", "SMILES:COc1cc(Cl)ccc1[C@H]1c2[nH]c3cccc(F)c3c2C2(CC2)CN1C(C)=O"], "synonym": ["Ono-2952"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297474", "category": ["biolink:ChemicalEntity"], "name": "OBI-3424", "xref": ["InChIKey:NWGZZGNICQFUHV-OAHLLOKOSA-N", "SMILES:C[C@@H](OP(=O)(N1CC1)N1CC1)c1ccc([N+](=O)[O-])c(Oc2cccc(C(=O)N(C)C)c2)c1"], "synonym": ["Obi 3424", "Obi-3424", "AST-3424", "OBI-3424", "OBI3424", "TH-3424"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL383824", "category": ["biolink:ChemicalEntity"], "name": "ALVESPIMYCIN", "xref": ["InChIKey:KUFRQPKVAWMTJO-LMZWQJSESA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"], "synonym": ["Alvespimycin", "Alvespimycine", "Alvespimicina", "Alvespimycin", "NSC-707545"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1928262", "category": ["biolink:ChemicalEntity"], "name": "GISADENAFIL", "xref": ["InChIKey:YPFZMBHKIVDSNR-UHFFFAOYSA-N", "SMILES:CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1"], "synonym": ["Gisadenafil", "Gisadenafilo", "Gisadenafil", "UK-369,003", "UK-369003", "Gisadenafil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL550781", "category": ["biolink:ChemicalEntity"], "name": "DEXLOXIGLUMIDE", "xref": ["InChIKey:QNQZBKQEIFTHFZ-GOSISDBHSA-N", "SMILES:CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1"], "synonym": ["Dexloxiglumide", "Dexloxiglumida", "Loxiglumide (r)-form", "Dexloxiglumide", "Loxiglumide, (r)-", "CR-2017"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297888", "category": ["biolink:ChemicalEntity"], "name": "SOTIGALIMAB", "synonym": ["Sotigalimab", "Apx005m", "Sotigalimab", "APX-005", "APX-005M", "APX005M", "EPI-0050", "Sotigalimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594460", "category": ["biolink:ChemicalEntity"], "name": "TEGOPRUBART", "synonym": ["Tegoprubart", "Tegoprubart", "Tegoprubart", "At-1501", "Tegoprubart", "AT-1501"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108025", "category": ["biolink:ChemicalEntity"], "name": "DEPELESTAT", "synonym": ["Depelestat", "Depelestat", "DX-890", "Depelestat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039498", "category": ["biolink:ChemicalEntity"], "name": "GRAPIPRANT", "xref": ["InChIKey:HZVLFTCYCLXTGV-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1"], "synonym": ["Grapiprant", "Grapiprant", "Grapiprant", "Cj-023,423", "Grapiprant", "423", "AAT-007", "CJ 023423", "CJ-023", "CJ-023423", "MR-10A7", "MR10A7", "RQ-00000007", "RQ-7", "Galliprant", "Grapiprant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3900409", "category": ["biolink:ChemicalEntity"], "name": "BRENSOCATIB", "xref": ["InChIKey:AEXFXNFMSAAELR-RXVVDRJESA-N", "SMILES:Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)cc3)cc21"], "synonym": ["Brensocatib", "Azd-7986", "Azd7986", "Brensocatib", "AZD 7986", "AZD-7986", "AZD7986", "INS-1007", "INS1007", "Brensocatib"]}
{"name": "Dipeptidyl peptidase 1", "xref": ["CHEMBL.TARGET:CHEMBL2252"], "id": "UniProtKB:P53634", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108505", "category": ["biolink:ChemicalEntity"], "name": "LACTASE", "synonym": ["Beta-galactosidase (aspergillus)", "Lactase", "G9S0VV191I", "Lactase"]}
{"id": "CHEMBL.TARGET:CHEMBL4632342", "category": ["biolink:SmallMolecule"], "name": "D-lactose"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297966", "category": ["biolink:ChemicalEntity"], "name": "DEZAMIZUMAB", "synonym": ["Dezamizumab", "Anti - sap mab", "Dezamizumab", "Gsk2398852", "GSK-2398852", "GSK2398852", "anti-SAP mAb", "Dezamizumab"]}
{"name": "Serum amyloid P-component", "xref": ["CHEMBL.TARGET:CHEMBL4929"], "id": "UniProtKB:P02743", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297558", "category": ["biolink:ChemicalEntity"], "name": "INOTUZUMAB", "synonym": ["Inotuzumab", "Inotuzumab", "G5/44", "G544", "Besponsa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210847", "category": ["biolink:ChemicalEntity"], "name": "PF-00489791", "xref": ["InChIKey:ZUHZNKJIJDAJFD-UHFFFAOYSA-N", "SMILES:CCOCCn1nc(C(=O)NS(C)(=O)=O)c2nc(N(C)CC)nc(Nc3cc(C)ccn3)c21"], "synonym": ["Pf-00489791", "PF-489,791", "UK-489,791"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1240967", "category": ["biolink:ChemicalEntity"], "name": "PF-00610355", "xref": ["InChIKey:YPHDIMUXXABSSO-YTTGMZPUSA-N", "SMILES:CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1"], "synonym": ["Pf-00610355", "PF - 00610355", "PF-610355"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL563251", "category": ["biolink:ChemicalEntity"], "name": "PF-03463275", "xref": ["InChIKey:KYLOBHXXQOZRKK-FICVDOATSA-N", "SMILES:CN1C[C@@H]2[C@H](C1)[C@H]2CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cn(C)cn1"], "synonym": ["Pf-03463275", "Pf-3463275"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297692", "category": ["biolink:ChemicalEntity"], "name": "ALX-0171", "synonym": ["Gontivimab", "Alx-0171", "ALX-0171", "ALX0171"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297497", "category": ["biolink:ChemicalEntity"], "name": "SISUNATOVIR", "xref": ["InChIKey:JOPCJJSYRPUEDS-UHFFFAOYSA-N", "SMILES:NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F"], "synonym": ["Sisunatovir", "Pf-07923568", "Rv521", "Sisunatovir", "RV-521", "RV521", "Sisunatovir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105692", "category": ["biolink:ChemicalEntity"], "name": "TAPRENEPAG ISOPROPYL", "xref": ["InChIKey:NVPXUFQLKWKBHK-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1"], "synonym": ["Taprenepag isopropyl", "PF-04217329", "Taprenepag isopropyl"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297696", "category": ["biolink:ChemicalEntity"], "name": "AR-105", "synonym": ["Aerucin", "Ar-105", "AR-105"]}
{"id": "CHEMBL.TARGET:CHEMBL4632346", "category": ["biolink:SmallMolecule"], "name": "Alginate polysaccharide"}
{"id": "CHEMBL.COMPOUND:CHEMBL466659", "category": ["biolink:ChemicalEntity"], "name": "PENTAERYTHRITOL TETRANITRATE", "xref": ["InChIKey:TZRXHJWUDPFEEY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]"], "synonym": ["Pentaerithrityl tetranitrate", "Pentaerithritol tetranitrate", "Pentaerithrityl tetranitrate", "Tetranitrate de pentaerithrityle", "Tetranitrato de pentaeritritilo", "Pentaerythritol tetranitrate", "Pentaerithrityl tetranitrate", "Pentaerythritol tetranitrate", "Pentaerythrityl tetranitrate", "Pentalong", "Cardiacap", "Mycardol", "Pentritol tempules", "Peritrate", "Peritrate sa"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2347655", "category": ["biolink:ChemicalEntity"], "name": "FILANESIB", "xref": ["InChIKey:LLXISKGBWFTGEI-FQEVSTJZSA-N", "SMILES:CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1"], "synonym": ["Filanesib", "Filanesib", "ARRY-520", "Filanesib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089083", "category": ["biolink:ChemicalEntity"], "name": "FOLIGLURAX", "xref": ["InChIKey:ZTEDNASHAWNBKQ-NCELDCMTSA-N", "SMILES:O/N=c1\\cc(-c2cc3sccc3cn2)oc2ccc(CCCN3CCOCC3)cc12"], "synonym": ["Foliglurax", "Foliglurax", "Pxt002331", "DT-1687", "DT1687", "PXT-002331", "PXT002331"]}
{"name": "Metabotropic glutamate receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL2736"], "id": "UniProtKB:Q14833", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946483", "category": ["biolink:ChemicalEntity"], "name": "MUREPAVADIN", "xref": ["InChIKey:RIDRXGOBXZLKHZ-NZUANIILSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCN)NC1=O"], "synonym": ["Murepavadin", "Murepavadine", "Murepavadina", "Murepavadin", "Pol7080", "Ro7033877", "POL-7080", "POL7080", "RO-7033877", "RO7033877", "Murepavadin"]}
{"name": "LPS-assembly protein LptD", "xref": ["CHEMBL.TARGET:CHEMBL3879863"], "id": "UniProtKB:Q9I5U2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297571", "category": ["biolink:ChemicalEntity"], "name": "PENPULIMAB", "synonym": ["Penpulimab", "Ak-105", "Ak105", "Penpulimab", "AK-105", "AK105", "Penpulimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297840", "category": ["biolink:ChemicalEntity"], "name": "TISLELIZUMAB", "synonym": ["Tislelizumab", "Tislelizumab", "Tislelizumab", "Tislelizumab-jsgr", "Tislelizumab", "Bgb-a317", "Tevimbra", "Tislelizumab", "Tislelizumab-jsgr", "BGB-A317", "BGBA-317", "BGBA317", "BGN-1", "BGN1", "JHL-2108", "JHL2108", "Tevimbra", "Tizveni", "Tislelizumab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298095", "category": ["biolink:ChemicalEntity"], "name": "NIMACIMAB", "synonym": ["Nimacimab", "Nimacimab", "Ryi-018", "JNJ-2463", "JNJ2463", "RYI-018", "RYI018", "Nimacimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990025", "category": ["biolink:ChemicalEntity"], "name": "OLENDALIZUMAB", "synonym": ["Olendalizumab", "Alxn1007", "Lendalizumab", "Olendalizumab", "ALXN-1007", "ALXN1007", "ALXN1007 antibody", "Olendalizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298119", "category": ["biolink:ChemicalEntity"], "name": "OLINVACIMAB", "synonym": ["Olinvacimab", "Olinvacimab", "Tanibirumab", "Ttac-0001", "TTAC-0001"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297905", "category": ["biolink:ChemicalEntity"], "name": "OSOCIMAB", "synonym": ["Osocimab", "Bay1213790", "Osocimab", "BAY 1213790", "BAY-1213790"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297884", "category": ["biolink:ChemicalEntity"], "name": "PEPINEMAB", "synonym": ["Pepinemab", "Anti-sema4d monoclonal antibody vx15/2503", "Pepinemab", "Vx15/2503", "MOAB VX15/2503", "VX-15", "VX-152503", "VX15", "VX15/2503", "Pepinemab"]}
{"name": "Semaphorin-4D", "xref": ["CHEMBL.TARGET:CHEMBL4630887"], "id": "UniProtKB:Q92854", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594326", "category": ["biolink:ChemicalEntity"], "name": "APITEGROMAB", "synonym": ["Apitegromab", "Apitegromab", "Srk-015", "SRK-015", "SRK015", "Apitegromab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594463", "category": ["biolink:ChemicalEntity"], "name": "AVDORALIMAB", "synonym": ["Avdoralimab", "Anti-c5ar-215", "Avdoralimab", "Iph5401", "IPH-5401", "NN-8210", "NNC-0215-0384"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297861", "category": ["biolink:ChemicalEntity"], "name": "NEIHULIZUMAB", "synonym": ["Abgn-168h", "Neihulizumab", "ABGN168H"]}
{"name": "P-selectin glycoprotein ligand 1", "xref": ["CHEMBL.TARGET:CHEMBL4183"], "id": "UniProtKB:Q14242", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298086", "category": ["biolink:ChemicalEntity"], "name": "POZELIMAB", "synonym": ["Pozelimab", "Pozelimab", "Pozelimab-bbfg", "Pozelimab", "Pozelimab", "Regn3918", "REGN-3918", "REGN3918", "Veopoz", "Pozelimab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298077", "category": ["biolink:ChemicalEntity"], "name": "PRASINEZUMAB", "synonym": ["Prasinezumab", "Prasinezumab", "Prx-002", "Prx002", "Ro7046015", "PRX002", "RG-7935", "RG7935", "RO-7046015", "RO7046015", "Prasinezumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594558", "category": ["biolink:ChemicalEntity"], "name": "RAGIFILIMAB", "synonym": ["Ragifilimab", "Incagn01876", "Ragifilimab", "AGEN-1876", "AGEN1876", "CM-701", "CM701", "INCAGN-01876", "INCAGN01876", "Ragifilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990011", "category": ["biolink:ChemicalEntity"], "name": "ROVALPITUZUMAB TESIRINE", "synonym": ["Rovalpituzumab tesirine", "Rovalpituzumab tesirina", "Rovalpituzumab tesirine", "Sc 002", "SC-002", "SC-16LD6.5", "SC0002", "SC16LD6.5", "SC16LD6.5-ADC", "Rovalpituzumab tesirine"]}
{"name": "Delta-like protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4630888"], "id": "UniProtKB:Q9NYJ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297785", "category": ["biolink:ChemicalEntity"], "name": "VIBOSTOLIMAB", "synonym": ["Vibostolimab", "Mk-7684", "Vibostolimab", "MK-7684", "MK7684", "TIGIT INHIBITOR MK-7684", "TIGIT-TARGETING AGENT MK-7684", "Vibostolimab component of mk-7684a", "Vibostolimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594546", "category": ["biolink:ChemicalEntity"], "name": "TELAZORLIMAB", "synonym": ["Telazorlimab", "Gbr 830", "Telazorlimab", "GBR 830", "GBR-830", "GBR830", "ISB 830", "ISB-830"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297837", "category": ["biolink:ChemicalEntity"], "name": "TALACOTUZUMAB", "synonym": ["Talacotuzumab", "Csl362", "Jnj-56022473", "Talacotuzumab", "CSL-362", "CSL362", "JNJ-56022473"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297832", "category": ["biolink:ChemicalEntity"], "name": "SUTIMLIMAB", "synonym": ["Sutimlimab", "Sutimlimab", "Sutimlimab", "Sutimlimab-jome", "Sutimlimab", "Bivv-009", "Enjaymo", "Sutimlimab", "Sutimlimab jome", "Sutimlimab-jome", "BIVV009", "TNT-009", "TNT009", "Enjaymo", "Sutimlimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL436774", "category": ["biolink:ChemicalEntity"], "name": "AR9281", "xref": ["InChIKey:HUDQLWBKJOMXSZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1"], "synonym": ["Ar9281"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3643413", "category": ["biolink:ChemicalEntity"], "name": "LENIOLISIB", "xref": ["InChIKey:MWKYMZXCGYXLPL-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1"], "synonym": ["Leniolisib", "Leniolisib", "Cdz-173 free base", "Cdz173 free base", "Leniolisib", "CDZ-173-NX", "CDZ173-NX", "Leniolisib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1817968", "category": ["biolink:ChemicalEntity"], "name": "LTX-109", "xref": ["InChIKey:ZVOYWSKEBVVLGW-ZDCRTTOTSA-N", "SMILES:CC(C)(C)c1cc(C(C)(C)C)c2[nH]c(C(C)(C)C)c(C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc3ccccc3)c2c1"], "synonym": ["Voxvoganan", "Ltx 109", "Ltx-109", "Voxvoganan", "LTX109"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297775", "category": ["biolink:ChemicalEntity"], "name": "KAI-1678", "synonym": ["Kai-1678", "KP-1678"]}
{"name": "Protein kinase C epsilon type", "xref": ["CHEMBL.TARGET:CHEMBL3582"], "id": "UniProtKB:Q02156", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594567", "category": ["biolink:ChemicalEntity"], "name": "ROCATINLIMAB", "synonym": ["Rocatinlimab", "Khk-4083", "Khk4083", "Rocatinlimab", "AMG 451", "AMG-451", "AMG451", "KHK-4083", "KHK4083", "KLK4083", "Rocatinlimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989954", "category": ["biolink:ChemicalEntity"], "name": "ROSIPTOR", "xref": ["InChIKey:MDEJTPWQNNMAQF-BVMLLJBZSA-N", "SMILES:C=C1CC[C@H]2[C@H](CN)[C@@H]([C@@]3(C)CC[C@H](O)C[C@@H]3CO)CC[C@]12C"], "synonym": ["Rosiptor", "Aqx-1125", "Rosiptor", "AQX-1125", "AQX-1125 free base", "Rosiptor"], "chembl_natural_product": true}
{"name": "Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL1781870"], "id": "UniProtKB:Q92835", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2019090", "category": ["biolink:ChemicalEntity"], "name": "S-777469", "xref": ["InChIKey:JIYXOJFSPOFZPY-UHFFFAOYSA-N", "SMILES:CCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1Cc1ccc(F)cc1"], "synonym": ["S-777469"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594351", "category": ["biolink:ChemicalEntity"], "name": "TAK-071", "xref": ["InChIKey:WFSARWQASFQZMG-VXKWHMMOSA-N", "SMILES:Cc1c(Cc2ccc(-n3cccn3)cc2)cc2c(c1F)CN([C@H]1COCC[C@@H]1O)C2=O"], "synonym": ["Tak-071"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297833", "category": ["biolink:ChemicalEntity"], "name": "MEZAGITAMAB", "synonym": ["Mezagitamab", "Mezagitamab", "Tak-079", "TAK-079", "TAK079", "Mezagitamab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371064", "category": ["biolink:ChemicalEntity"], "name": "BALICATIB", "xref": ["InChIKey:LLCRBOWRJOUJAE-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1"], "synonym": ["Balicatib", "Balicatib", "AAE-581", "AAE581"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297904", "category": ["biolink:ChemicalEntity"], "name": "BAY-1093884", "synonym": ["Befovacimab", "Bay-1093884", "Bay1093884", "BAY-1093884", "BAY1093884"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349001", "category": ["biolink:ChemicalEntity"], "name": "AVN-944", "xref": ["InChIKey:GYCPCOJTCINIFZ-OXJNMPFZSA-N", "SMILES:CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1"], "synonym": ["Avn-944", "Avn944", "AVN 944", "AVN944"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297352", "category": ["biolink:ChemicalEntity"], "name": "AZD-1236", "xref": ["InChIKey:SFJFBTPHDHUUPU-OAHLLOKOSA-N", "SMILES:C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)NC(=O)NC1=O"], "synonym": ["Azd 1236", "Azd-1236", "Azd1236", "AZD1236"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297501", "category": ["biolink:ChemicalEntity"], "name": "AFABICIN", "xref": ["InChIKey:HFYMDQMXVPJNTH-VQHVLOKHSA-N", "SMILES:Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)(O)O)oc2ccccc12"], "synonym": ["Afabicin", "Afabicine", "Afabicina", "Afabicin", "AFN-1720", "AFN1720", "DEBIO-1450", "DEBIO1450"], "chembl_prodrug": true}
{"name": "Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI", "xref": ["CHEMBL.TARGET:CHEMBL3994"], "id": "UniProtKB:Q6GI75", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:282458"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652621", "category": ["biolink:ChemicalEntity"], "name": "AFN-1252", "xref": ["InChIKey:QXTWSUQCXCWEHF-JXMROGBWSA-N", "SMILES:Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12"], "synonym": ["Afabicin desphosphono", "Afn-1252", "AFN-1252", "API 1252", "API-1252", "DEBIO-1452", "DEBIO1452"], "chembl_natural_product": true}
{"name": "Enoyl-[acyl-carrier-protein] reductase [NADH]", "xref": ["CHEMBL.TARGET:CHEMBL4630896"], "id": "UniProtKB:A0A0H3HP34", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:884204"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945728", "category": ["biolink:ChemicalEntity"], "name": "ELCUBRAGISTAT", "xref": ["InChIKey:SQZJGTOZFRNWCX-UHFFFAOYSA-N", "SMILES:O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCCC2)CC1"], "synonym": ["Elcubragistat", "Elcubragistat", "Elcubragistat", "Abx-1431", "Elcubragistat", "ABX-1431", "ABX1431"]}
{"name": "Monoglyceride lipase", "xref": ["CHEMBL.TARGET:CHEMBL4191"], "id": "UniProtKB:Q99685", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594470", "category": ["biolink:ChemicalEntity"], "name": "CVX-060", "synonym": ["Cvx-060", "Pf-04856884", "CVX-060", "CVX060", "PF-04856884", "PF04856884"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228814", "category": ["biolink:ChemicalEntity"], "name": "ISPINESIB", "xref": ["InChIKey:QJZRFPJCWMNVAV-HHHXNRCGSA-N", "SMILES:Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"], "synonym": ["Ispinesib", "Ispinesib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594594", "category": ["biolink:ChemicalEntity"], "name": "ITEPEKIMAB", "synonym": ["Itepekimab", "Itepekimab", "Regn3500", "Sar440340", "REGN-3500", "REGN3500", "SAR-440340", "SAR440340", "Itepekimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260505", "category": ["biolink:ChemicalEntity"], "name": "MBX-2982", "xref": ["InChIKey:NFTMKHWBOINJGM-UHFFFAOYSA-N", "SMILES:CCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1"], "synonym": ["Mbx-2982"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297784", "category": ["biolink:ChemicalEntity"], "name": "FAVEZELIMAB", "synonym": ["Favezelimab", "Mavezelimab", "Favezelimab", "Mk-4280", "MK-4280", "MK4280", "Favezelimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078588", "category": ["biolink:ChemicalEntity"], "name": "MK-7622", "xref": ["InChIKey:JUVQLZBJFOGEEO-GOTSBHOMSA-N", "SMILES:Cc1ccc(Cc2cc3c(=O)n([C@H]4CCCC[C@@H]4O)cnc3c3ccccc23)cn1"], "synonym": ["Mk-7622", "MK7622"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL75753", "category": ["biolink:ChemicalEntity"], "name": "XAMOTEROL", "xref": ["InChIKey:DXPOSRCHIDYWHW-UHFFFAOYSA-N", "SMILES:O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1"], "synonym": ["Xamoterol", "Xamoterol", "Xamoterol", "ICI-118,587", "ICI-118587", "Xamoterol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL256147", "category": ["biolink:ChemicalEntity"], "name": "TILARGININE", "xref": ["InChIKey:NTNWOCRCBQPEKQ-YFKPBYRVSA-N", "SMILES:CNC(=N)NCCC[C@H](N)C(=O)O"], "synonym": ["Tilarginine", "Tilarginina", "Ng-methylarginine", ".omega.-n-methylarginine", "Ng-monomethyl-l-arginine", "Omega-n-methylarginine", "Omega-n-methylated arginine", "Tilarginine", "L-NMMA"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL4630725", "category": ["biolink:ProteinFamily"], "name": "Nitric oxide synthase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1256175", "category": ["biolink:ChemicalEntity"], "name": "TILARGININE ACETATE", "xref": ["InChIKey:IKPNWIGTWUZCKM-JEDNCBNOSA-N", "SMILES:CC(=O)O.CNC(=N)NCCC[C@H](N)C(=O)O"], "synonym": ["Ng-methylarginine acetate", "L-nmma acetate", "Ng-methyl-l-arginine acetate salt", "Ng-monomethyl-l-arginine acetate", "Targinine acetate", "Tilarginine acetate", "ANO-1020", "Tilarginine acetate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594331", "category": ["biolink:ChemicalEntity"], "name": "DAZODALIBEP", "synonym": ["Dazodalibep", "Dazodalibep", "Medi 4920", "Vib4920", "MEDI-4920", "MEDI4920", "VIB-4920", "VIB4920", "Dazodalibep"]}
{"id": "CHEMBL.COMPOUND:CHEMBL56564", "category": ["biolink:ChemicalEntity"], "name": "TROPISETRON", "xref": ["InChIKey:ZNRGQMMCGHDTEI-ITGUQSILSA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2"], "synonym": ["Tropisetron", "Tropisetron", "Tropisetron", "Tropisetron hydrochloride", "Tropisetron", "Tropisetron monohydrochloride", "Novaban", "Tropisetron", "Tropisetron (as hydrochloride)", "Tropisetron hcl", "Tropisetron hydrochloride", "Tropisetron monohydrochloride", "ICS-205-930", "NSC-759842", "SDZ-ICS-930", "Navoban"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989947", "category": ["biolink:ChemicalEntity"], "name": "OLUMACOSTAT GLASARETIL", "xref": ["InChIKey:FYJLDICZGDFWKP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCOc1ccc(C(=O)OCC(=O)N(C)CC(=O)OCC)o1"], "synonym": ["Olumacostat glasaretil", "Olumacostat glasaretilo", "Olumacostat glasaretil", "DRM-01B", "DRM01B", "DRMO1B", "Olumacostat glasaretil"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297166", "category": ["biolink:ChemicalEntity"], "name": "TEICOPLANIN", "synonym": ["Teicoplanin", "Teicoplanin", "Teicoplanin", "Teicoplanin", "Teicoplanine", "Teicoplanina", "Teicoplanin", "Tagocid", "Targosid", "Teichomycin a2", "Teicoplanin", "Teicoplanin a2", "Teikoplanin", "Ticocin", "MDL 507", "MDL-507", "NSC-759183", "Targocid", "Teicoplanin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297763", "category": ["biolink:ChemicalEntity"], "name": "GTI-2040", "synonym": ["Gti 2040", "Gti-2040"]}
{"id": "CHEMBL.TARGET:CHEMBL4630580", "category": ["biolink:NucleicAcidEntity"], "name": "Ribonucleotide reductase small subunit mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103863", "category": ["biolink:ChemicalEntity"], "name": "ABEXINOSTAT", "xref": ["InChIKey:MAUCONCHVWBMHK-UHFFFAOYSA-N", "SMILES:CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12"], "synonym": ["Abexinostat", "Abexinostat", "CRA 024781", "CRA 24781", "CRA-024781", "PCI 24781", "PCI-24781", "PZP-115891", "PZP115891", "S-78454", "S78454", "Abexinostat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL262747", "category": ["biolink:ChemicalEntity"], "name": "ACYLINE", "xref": ["InChIKey:ZWNUQDJANZGVFO-YHSALVGYSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1"], "synonym": ["Acyline", "MER-104"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3707351", "category": ["biolink:ChemicalEntity"], "name": "ADOMEGLIVANT", "xref": ["InChIKey:FASLTMSUPQDLIB-MHZLTWQESA-N", "SMILES:Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1"], "synonym": ["Adomeglivant", "Adomeglivant", "Adomeglivant, (-)-", "Ly2409021", "LY-2409021", "LY2409021", "Adomeglivant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214827", "category": ["biolink:ChemicalEntity"], "name": "ONALESPIB", "xref": ["InChIKey:IFRGXKKQHBVPCQ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O"], "synonym": ["Onalespib", "At-13387", "At13387", "Onalespib", "ATI-13387X", "ATI13387X", "Onalespib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297416", "category": ["biolink:ChemicalEntity"], "name": "PF-4191834", "xref": ["InChIKey:DVNQWYLVSNPCJZ-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1"], "synonym": ["Pf-04191834", "Pf-4191834"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3287218", "category": ["biolink:ChemicalEntity"], "name": "PF-5190457", "xref": ["InChIKey:ZIUDADZJCKGWKR-AREMUKBSSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4cn5cc(C)sc5n4)CC3)C2)ncn1"], "synonym": ["Pf-05190457", "Pf-5190457", "PF-5190457"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297502", "category": ["biolink:ChemicalEntity"], "name": "AVORALSTAT", "xref": ["InChIKey:TUWMKPVJGGWGNL-UHFFFAOYSA-N", "SMILES:C=Cc1cc(C(=O)Nc2ccc(C(=N)N)cc2)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)cc1OC"], "synonym": ["Avoralstat", "Avoralstat", "Bcx4161", "BCX-4161"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594455", "category": ["biolink:ChemicalEntity"], "name": "AGS-16C3F", "synonym": ["Ags-16c3f", "Ags-16c3f (anti-enpp3 antibody)", "ADC AGS-16C3F", "AGS-16C3F", "AGS16C3F"]}
{"name": "Ectonucleotide pyrophosphatase/phosphodiesterase family member 3", "xref": ["CHEMBL.TARGET:CHEMBL5580"], "id": "UniProtKB:O14638", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297289", "category": ["biolink:ChemicalEntity"], "name": "BOMEDEMSTAT", "xref": ["InChIKey:KQKBMHGOHXOHTD-KKUQBAQOSA-N", "SMILES:CN1CCN(C(=O)[C@H](CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)NC(=O)c2ccc(-n3ccnn3)cc2)CC1"], "synonym": ["Bomedemstat", "Bomedemstat", "Img-7289", "IMG-7289", "Bomedemstat"]}
{"name": "Lysine-specific histone demethylase 1A", "xref": ["CHEMBL.TARGET:CHEMBL6136"], "id": "UniProtKB:O60341", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160519", "category": ["biolink:ChemicalEntity"], "name": "PROCATEROL", "xref": ["InChIKey:FKNXQNWAXFXVNW-UHFFFAOYSA-N", "SMILES:CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12"], "synonym": ["Procaterol", "Procaterol", "Procaterol", "Procaterol", "Procaterol", "Meptin", "Procaterol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3039553", "category": ["biolink:ChemicalEntity"], "name": "APATORSEN SODIUM", "synonym": ["OGX-427", "Apatorsen sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6995", "category": ["biolink:ChemicalEntity"], "name": "PRACTOLOL", "xref": ["InChIKey:DURULFYMVIFBIR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1"], "synonym": ["Practolol", "Practolol", "Practolol", "Practolol", "Dalzic", "AY-21,011", "AY-21011", "I.C.I. 50,172", "I.C.I.-50,172", "ICI-50172", "Eraldin", "Practolol"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3986824", "category": ["biolink:ChemicalEntity"], "name": "LANRAPLENIB", "xref": ["InChIKey:XCIGZBVOUQVIPI-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)cc3)n2)n1"], "synonym": ["Lanraplenib", "Lanraplenib", "GS-SYK", "Lanraplenib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990145", "category": ["biolink:ChemicalEntity"], "name": "IMARIKIREN", "xref": ["InChIKey:RHIBAIKQWJNESW-YADHBBJMSA-N", "SMILES:COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21"], "synonym": ["Imarikiren", "Imarikirene", "Imarikireno", "TAK-272 FREE BASE", "TAK-272 FREE BASE, (+)-"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297998", "category": ["biolink:ChemicalEntity"], "name": "LACUTAMAB", "synonym": ["Lacutamab", "Iph4102", "Lacutamab", "IPH-4102", "IPH4102"]}
{"name": "Killer cell immunoglobulin-like receptor 3DL2", "xref": ["CHEMBL.TARGET:CHEMBL4630895"], "id": "UniProtKB:P43630", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297750", "category": ["biolink:ChemicalEntity"], "name": "FARICIMAB", "synonym": ["Faricimab", "Faricimab", "Faricimab", "Faricimab-svoa", "Faricimab", "Faricimab", "Faricimab svoa", "Faricimab-svoa", "Rg-7716", "Ro6867461", "Vabysmo", "Y8ha1i28d3", "RG7716", "RG77161", "RO-6867461", "RO6867461", "Vabysmo", "Faricimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298211", "category": ["biolink:ChemicalEntity"], "name": "PEGCETACOPLAN", "synonym": ["Pegcetacoplan", "Pegcetacoplan", "Pegcetacoplan", "Pegcetacoplan", "Pegcetacoplan", "Syfovre", "APL-2", "Aspaveli", "Empaveli", "Syfovre", "Pegcetacoplan"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297326", "category": ["biolink:ChemicalEntity"], "name": "SLX-4090", "xref": ["InChIKey:AZUIUVJESCFSLJ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc3c(c2)CCN(C(=O)Oc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1"], "synonym": ["Slx-4090", "KD-026"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46618", "category": ["biolink:ChemicalEntity"], "name": "OTAMIXABAN", "xref": ["InChIKey:PFGVNLZDWRZPJW-OPAMFIHVSA-N", "SMILES:COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1"], "synonym": ["Otamixaban", "Otamixaban", "Fxv673", "Otamixaban", "FXV-673", "RPR-130673", "RPR130673", "XRP-0673", "XRP0673"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL320775", "category": ["biolink:ChemicalEntity"], "name": "NOLATREXED", "xref": ["InChIKey:XHWRWCSCBDLOLM-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1"], "synonym": ["Nolatrexed", "Nolatrexed", "Nolatrexed"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4112930", "category": ["biolink:ChemicalEntity"], "name": "PAMIPARIB", "xref": ["InChIKey:DENYZIUJOTUUNY-MRXNPFEDSA-N", "SMILES:C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34"], "synonym": ["Pamiparib", "Pamiparib", "Bgb-290", "Pamiparib", "BGB-290", "Pamiparib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3701238", "category": ["biolink:ChemicalEntity"], "name": "FUTIBATINIB", "xref": ["InChIKey:KEIPNCCJPRMIAX-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"], "synonym": ["Futibatinib", "Futibatinib", "Futibatinib", "Futibatinib", "Fgfr-in-1", "Futibatinib", "Tas 120", "Tas-120", "TAS-120", "Lytgobi", "Futibatinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL203125", "category": ["biolink:ChemicalEntity"], "name": "FOSMIDOMYCIN", "xref": ["InChIKey:GJXWDTUCERCKIX-UHFFFAOYSA-N", "SMILES:O=CN(O)CCCP(=O)(O)O"], "synonym": ["Fosmidomycin", "Fosmidomycine", "Fosmidomicina", "Fosmidomycin", "Fosmidomycin"], "chembl_natural_product": true}
{"name": "1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic", "xref": ["CHEMBL.TARGET:CHEMBL4295619"], "id": "UniProtKB:Q8IKG4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297576", "category": ["biolink:ChemicalEntity"], "name": "EFINOPEGDUTIDE", "synonym": ["Efinopegdutide", "Efinopegdutida", "Efinopegdutide", "Jnj-64565111", "HM-12525A", "HM12525A", "JNJ-64565111", "Efinopegdutide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697617", "category": ["biolink:ChemicalEntity"], "name": "TAVAPADON", "xref": ["InChIKey:AKQXQLUNFKDZBN-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C"], "synonym": ["Tavapadon", "Cvl-751", "Pf-06649751", "Tavapadon", "CVL-751", "PF-06649751", "Tavapadon"]}
{"name": "D(1B) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL1850"], "id": "UniProtKB:P21918", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94657", "category": ["biolink:ChemicalEntity"], "name": "PATUPILONE", "xref": ["InChIKey:QXRSDHAAWVKZLJ-PVYNADRNSA-N", "SMILES:C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1"], "synonym": ["Patupilone", "Patupilona", "Epothilone b", "(-)-epothilone b", "Epithilone b", "Epo b", "Patupilone", "EPO 906", "EPO 906A", "EPO-906", "EPO-906A", "EPO906", "EPO906A", "GNF-PF-193"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458876", "category": ["biolink:ChemicalEntity"], "name": "AMDOXOVIR", "xref": ["InChIKey:RLAHNGKRJJEIJL-RFZPGFLSSA-N", "SMILES:Nc1nc(N)c2ncn([C@H]3CO[C@@H](CO)O3)c2n1"], "synonym": ["Amdoxovir", "Amdoxovir", "(-)-DAPD", "DAPD", "Amdoxovir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1257096", "category": ["biolink:ChemicalEntity"], "name": "ACORAFLOXACIN", "xref": ["InChIKey:VMKVDAAFMQKZJS-LFIBNONCSA-N", "SMILES:COc1c(N2CCC/C(=C(\\F)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"], "synonym": ["Acorafloxacin", "Acorafloxacine", "Acorafloxacino", "JNJ-32729463-AAA", "JNJ-Q2", "Acorafloxacin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2219776", "category": ["biolink:ChemicalEntity"], "name": "CENERSEN SODIUM", "synonym": ["Cenersen sodium", "EL-625", "EL625", "OL(1)P53", "Cenersen sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108985", "category": ["biolink:ChemicalEntity"], "name": "APRINOCARSEN SODIUM", "synonym": ["Aprinocarsen nonadecasodium salt", "Aprinocarsen nonadecasodium salt", "Aprinocarsen sodium", "ISIS 5321", "ISIS-5321", "Affinitak", "Aprinocarsen sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989994", "category": ["biolink:ChemicalEntity"], "name": "COBOMARSEN SODIUM", "synonym": ["M-11667", "M11667", "MRG-106", "MRG-106 TRIDECASODIUM", "Cobomarsen sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297244", "category": ["biolink:ChemicalEntity"], "name": "DANVATIRSEN SODIUM", "synonym": ["Danvatirsen pentadecasodium", "AZD-9150 PENTADECASODIUM", "AZD-9150 SODIUM", "AZD9150 sodium", "Danvatirsen sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108316", "category": ["biolink:ChemicalEntity"], "name": "EDIFOLIGIDE", "synonym": ["Edifoligide", "Edifoligida", "Edifoligide"]}
{"id": "CHEMBL.TARGET:CHEMBL4630726", "category": ["biolink:ProteinFamily"], "name": "E2F"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109229", "category": ["biolink:ChemicalEntity"], "name": "OBLIMERSEN SODIUM", "synonym": ["Oblimersen", "Oblimersen sodium", "Augmerosen", "Oblimersen sodium", "D-G3139", "G-3139", "G3139", "Genasense", "Oblimersen sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298193", "category": ["biolink:ChemicalEntity"], "name": "SUVODIRSEN SODIUM", "synonym": ["BMTR0139 SODIUM", "WLS-4176 SODIUM", "WV3473", "Suvodirsen sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298179", "category": ["biolink:ChemicalEntity"], "name": "TEPRASIRAN SODIUM", "synonym": ["Teprasiran sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298198", "category": ["biolink:ChemicalEntity"], "name": "VUPANORSEN SODIUM", "synonym": ["AKCEA-ANGPTL3-LRX SODIUM", "AKCEA-ANGPTL3-LRx salt", "ISIS 703802 SODIUM", "ISIS 703802 salt", "ISIS-703802 SODIUM", "Vupanorsen sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073443", "category": ["biolink:ChemicalEntity"], "name": "TOMIVOSERTIB", "xref": ["InChIKey:HKTBYUWLRDZAJK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1"], "synonym": ["Tomivosertib", "Eft 508", "Eft508", "Tomivosertib", "EFT-508", "eFT508", "Tomivosertib"]}
{"id": "CHEMBL.TARGET:CHEMBL3883293", "category": ["biolink:ProteinFamily"], "name": "MAP kinase-interacting serine/threonine-protein kinase 1/2"}
{"id": "CHEMBL.COMPOUND:CHEMBL231616", "category": ["biolink:ChemicalEntity"], "name": "TRIAPINE", "xref": ["InChIKey:XMYKNCNAZKMVQN-NYYWCZLTSA-N", "SMILES:NC(=S)N/N=C/c1ncccc1N"], "synonym": ["Ocx 191", "Triapine", "3-AP", "NSC-663249", "OCX-0191", "OCX-191", "PAN-811"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3301398", "category": ["biolink:MacromolecularComplex"], "name": "Ribonucleotide reductase"}
{"id": "CHEMBL.COMPOUND:CHEMBL1159717", "category": ["biolink:ChemicalEntity"], "name": "TULOBUTEROL", "xref": ["InChIKey:YREYLAVBNPACJM-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)c1ccccc1Cl"], "synonym": ["Tulobuterol", "Tulobuterol hydrochloride", "Tulobuterol", "Atenos", "Berachin", "Bremax", "Chlibamol", "Hokunalin", "Lobuterol", "Tulobuterol", "Tulobuterol hcl", "NSC-758643", "Brelomax", "Respacal"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989971", "category": ["biolink:ChemicalEntity"], "name": "UPROLESELAN", "xref": ["InChIKey:LYSYOXNOOPBOSC-NGSKMYNLSA-N", "SMILES:CC[C@H]1C[C@@H](C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)O)[C@H]2NC(C)=O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Uproleselan", "Uproleselan", "GMI-1271", "GMI-1271 FREE ACID", "Uproleselan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2360841", "category": ["biolink:ChemicalEntity"], "name": "RO-24-7429", "xref": ["InChIKey:LEAKQIXYSHIHCW-UHFFFAOYSA-N", "SMILES:CNC1=Nc2ccc(Cl)cc2C(c2ccc[nH]2)=NC1"], "synonym": ["Ro 24-7429", "Ro-24-7429", "RO 24-7429", "RO-24-7429"]}
{"name": "Protein Tat", "xref": ["CHEMBL.TARGET:CHEMBL4011"], "id": "UniProtKB:P04608", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11706"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298098", "category": ["biolink:ChemicalEntity"], "name": "TUSAMITAMAB RAVTANSINE", "synonym": ["Tusamitamab ravtansine", "Maytansin-loaded anti-ceacam5 mab", "Sar 408701", "Sar-408701", "Sar408701", "Tusamitamab ravtansine", "SAR-408701", "SAR408701", "Tusamitamab ravtansine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297684", "category": ["biolink:ChemicalEntity"], "name": "ABICIPAR PEGOL", "synonym": ["Abicipar pegol", "Abicipar pegol", "Abicipar pegol", "Agn-150998", "Mp0112", "Vegf-a binding darpin", "AGN-150998", "MP-0112", "MP-0260", "MP0112", "P7FHD7AG35", "Abicipar pegol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL308148", "category": ["biolink:ChemicalEntity"], "name": "SAREDUTANT", "xref": ["InChIKey:PGKXDIMONUAMFR-AREMUKBSSA-N", "SMILES:CC(=O)NC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1"], "synonym": ["Saredutant", "Saredutant", "Sr-48968"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2036958", "category": ["biolink:ChemicalEntity"], "name": "SCH-900271", "xref": ["InChIKey:ARJKMWXLIHZLQZ-UHFFFAOYSA-N", "SMILES:CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1"], "synonym": ["Sch 900271", "Sch-900271", "SCH 900271"], "chembl_natural_product": true}
{"name": "Hydroxycarboxylic acid receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3785"], "id": "UniProtKB:Q8TDS4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105710", "category": ["biolink:ChemicalEntity"], "name": "SIMENEPAG ISOPROPYL", "xref": ["InChIKey:MSIIJNOQQWRTFC-GGAORHGYSA-N", "SMILES:CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)OC(C)C)s2)cc1"], "synonym": ["Simenepag isopropyl", "AGN-210669", "Simenepag isopropyl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297525", "category": ["biolink:ChemicalEntity"], "name": "RELAMORELIN", "xref": ["InChIKey:KUBPNVYPKPWGRJ-LIVOIKKVSA-N", "SMILES:NC(=O)C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2csc3ccccc23)NC(=O)C2CCNCC2)CCNCC1"], "synonym": ["Relamorelin", "Relamoreline", "Relamorelina", "Relamorelin", "BIM-28131", "BIM28131", "Relamorelin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2364628", "category": ["biolink:ChemicalEntity"], "name": "RICOLINOSTAT", "xref": ["InChIKey:QGZYDVAGYRLSKP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO"], "synonym": ["Ricolinostat", "Ricolinostat", "ACY-1215", "ACY-63", "Ricolinostat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297638", "category": ["biolink:ChemicalEntity"], "name": "PETESICATIB", "xref": ["InChIKey:KXAAIORSMACJSI-AEFFLSMTSA-N", "SMILES:Cn1cc(-c2ccc(S(=O)(=O)[C@@H]3C[C@@H](C(=O)NC4(C#N)CC4)N(C(=O)C4(C(F)(F)F)CC4)C3)c(C(F)(F)F)c2)cn1"], "synonym": ["Petesicatib", "Petesicatib", "Rg7625", "Ro5459072", "RG-7625", "RG7625", "RO-5459072", "RO5459072", "Petesicatib"]}
{"name": "Cathepsin S", "xref": ["CHEMBL.TARGET:CHEMBL2954"], "id": "UniProtKB:P25774", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297615", "category": ["biolink:ChemicalEntity"], "name": "PARSACLISIB", "xref": ["InChIKey:ZQPDJCIXJHUERQ-QWRGUYRKSA-N", "SMILES:CCOc1c([C@H](C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1[C@@H]1CNC(=O)C1"], "synonym": ["Parsaclisib", "Parsaclisib", "Incb050465", "Parsaclisib", "INCB-050465", "INCB050465", "Parsaclisib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL356359", "category": ["biolink:ChemicalEntity"], "name": "PIBOSEROD", "xref": ["InChIKey:KVCSJPATKXABRQ-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1"], "synonym": ["Piboserod", "Piboserod", "Piboserod", "SB-207266"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL34124", "category": ["biolink:ChemicalEntity"], "name": "OLODANRIGAN", "xref": ["InChIKey:GHBCIXGRCZIPNQ-MHZLTWQESA-N", "SMILES:COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2"], "synonym": ["Olodanrigan", "Ema401", "Olodanrigan", "EMA-401", "EMA401", "PD-126055"]}
{"name": "Type-2 angiotensin II receptor", "xref": ["CHEMBL.TARGET:CHEMBL4607"], "id": "UniProtKB:P50052", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931971", "category": ["biolink:ChemicalEntity"], "name": "RAZUPROTAFIB", "xref": ["InChIKey:KWJDHELCGJFUHW-SFTDATJTSA-N", "SMILES:COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(=O)(=O)O)cc1)c1csc(-c2cccs2)n1"], "synonym": ["Razuprotafib", "Razuprotafib", "AKB-9778", "Razuprotafib"]}
{"name": "Receptor-type tyrosine-protein phosphatase beta", "xref": ["CHEMBL.TARGET:CHEMBL2706"], "id": "UniProtKB:P23467", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297754", "category": ["biolink:ChemicalEntity"], "name": "FITUSIRAN", "synonym": ["Fitusiran", "Aln-at3sc", "Fitusiran", "ALN-57213", "ALN-AT3SC", "Fitusiran"]}
{"id": "CHEMBL.TARGET:CHEMBL4634874", "category": ["biolink:NucleicAcidEntity"], "name": "Antithrombin mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297925", "category": ["biolink:ChemicalEntity"], "name": "EXEBACASE", "synonym": ["Exebacase", "Exebacasa", "Cf-301", "Exebacase", "CF-301", "CF301", "Exebacase"]}
{"id": "CHEMBL.TARGET:CHEMBL4632350", "category": ["biolink:MolecularEntity"], "name": "Peptidoglycan"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297878", "category": ["biolink:ChemicalEntity"], "name": "LIRENTELIMAB", "synonym": ["Lirentelimab", "Ak002", "Antolimab", "Lirentelimab", "Monoclonal antibody ak002", "AK-002", "AK002", "Lirentelimab"]}
{"name": "Sialic acid-binding Ig-like lectin 8", "xref": ["CHEMBL.TARGET:CHEMBL4630877"], "id": "UniProtKB:Q9NYZ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108326", "category": ["biolink:ChemicalEntity"], "name": "ALICAFORSEN", "synonym": ["Alicaforsen", "Alicaforsen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3991065", "category": ["biolink:ChemicalEntity"], "name": "ATOGEPANT", "xref": ["InChIKey:QIVUCLWGARAQIO-OLIXTKCUSA-N", "SMILES:C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F"], "synonym": ["Atogepant", "Atogepant", "Atogepant", "Atogepant", "Atogepant", "AGN-241689", "MK-8031", "Aquipta", "Qulipta", "Atogepant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297646", "category": ["biolink:ChemicalEntity"], "name": "AMPRELOXETINE", "xref": ["InChIKey:TZIALEBTHQWNAO-UHFFFAOYSA-N", "SMILES:Fc1cc(F)c(OCc2ccccc2C2CCNCC2)c(F)c1"], "synonym": ["Ampreloxetine", "Ampreloxetina", "Ampreloxetine", "Td-9855", "TD-9855", "Ampreloxetine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297694", "category": ["biolink:ChemicalEntity"], "name": "ANFIBATIDE", "synonym": ["Agkisacucetin", "Anfibatide"]}
{"name": "Platelet glycoprotein Ib alpha chain", "xref": ["CHEMBL.TARGET:CHEMBL4630891"], "id": "UniProtKB:P07359", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297455", "category": ["biolink:ChemicalEntity"], "name": "CAFICRESTAT", "xref": ["InChIKey:YRGPAXAVTDMKDK-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2nccnc12"], "synonym": ["Caficrestat", "Aldose reductase-in-1", "At 001", "At-001", "Caficrestat", "AT-001", "Caficrestat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297456", "category": ["biolink:ChemicalEntity"], "name": "ATN-161", "xref": ["InChIKey:MMHDBUJXLOFTLC-WOYTXXSLSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O"], "synonym": ["Ac-phscn-nh2", "Atn-161", "ATN 161", "ATN-161"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297949", "category": ["biolink:ChemicalEntity"], "name": "AVEXITIDE", "synonym": ["Avexitide", "Avexitida", "Exendin (9-39)", "Avexitide", "Exendin (9-39)", "Exendin (9-39) amide", "Exendin(9-39)amide", "Exendin-3 (9-39) amide", "Exendin 9-39", "Avexitide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297909", "category": ["biolink:ChemicalEntity"], "name": "FAZPILODEMAB", "synonym": ["Fazpilodemab", "Fazpilodemab", "Fazpilodemab", "Bfkb8488a", "Fazpilodemab", "BFKB-8488A", "BFKB8488A", "RG-7992", "RG7992", "RO-7040551", "RO7040551", "Fazpilodemab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3334624", "category": ["biolink:ChemicalEntity"], "name": "BI-44370", "xref": ["InChIKey:HTLWMOKBJQKDIJ-WJOKGBTCSA-N", "SMILES:Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCOCC3)CC2)cc(C)c1O"], "synonym": ["Bi 44370 ta", "Bi-44370", "BI 44370 TA", "BI-44370-BS", "BI44370", "J3.353.239C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833337", "category": ["biolink:ChemicalEntity"], "name": "DICOBALT EDETATE", "synonym": ["Dicobalt edetate", "Dicobalt edetate", "Edetate dicobaltique", "Edetato dicobaltio", "Edta cobalt salt", "Kelocyanor"]}
{"id": "CHEMBL.TARGET:CHEMBL4632347", "category": ["biolink:SmallMolecule"], "name": "Cyanide"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297508", "category": ["biolink:ChemicalEntity"], "name": "DORZAGLIATIN", "xref": ["InChIKey:HMUMWSORCUWQJO-QAPCUYQASA-N", "SMILES:CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=O"], "synonym": ["Dorzagliatin", "Dorzagliatin", "Dorzagliatine", "Dorzagliatina", "Dorzagliatin", "Hms5552", "Sinogliatin", "HMS-5552", "HMS5552", "RO-5305552", "RO5305552", "Dorzagliatin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297551", "category": ["biolink:ChemicalEntity"], "name": "EFGARTIGIMOD ALFA", "synonym": ["Efgartigimod alfa", "Efgartigimod alfa", "Efgartigimod alfa", "Efgartigimod alfa", "Argx-113", "Efgartigimod", "Efgartigimod alfa", "Efgartigimod alfa fcab", "Efgartigimod alfa-fcab", "Efgartigimod alfa-qvfc", "Vyvgart", "ARGX-113", "Efgartigimod alfa component of vyvgart hytrulo", "Vyvgart", "Efgartigimod alfa"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297800", "category": ["biolink:ChemicalEntity"], "name": "PEGTEOGRASTIM", "synonym": ["Pegteograstim", "Pegteograstim", "Neulapeg", "Pegteograstim"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109802", "category": ["biolink:ChemicalEntity"], "name": "TBA-7371", "xref": ["InChIKey:VDRYGTNDKXIPSK-UHFFFAOYSA-N", "SMILES:COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc32)c1C"], "synonym": ["Tba-7371", "AZ-7371", "TBA-7371"]}
{"name": "Decaprenylphosphoryl-beta-D-ribose oxidase", "xref": ["CHEMBL.TARGET:CHEMBL3804751"], "id": "UniProtKB:P9WJF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110756", "category": ["biolink:ChemicalEntity"], "name": "MITEMCINAL", "xref": ["InChIKey:BELMMAAWNYFCGF-PZXAHSFZSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC"], "synonym": ["Mitemcinal"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2109128", "category": ["biolink:ChemicalEntity"], "name": "LENOGRASTIM", "synonym": ["Lenograstim", "Lenograstim", "Lenograstim", "Lenograstim", "Lenograstim (genetical recombination)", "Granulocyte colony-stimulating factor lenograstim", "G-csf (cho cell derived)", "Glycosylated recombinant g-csf", "Granocyte", "Lenograstim", "Lenograstim rdna", "Neutrogin", "RG-CSF", "Granocyte-13", "Granocyte-34", "Lenograstim"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216859", "category": ["biolink:ChemicalEntity"], "name": "NEMIRALISIB", "xref": ["InChIKey:MCIDWGZGWVSZMK-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1"], "synonym": ["Nemiralisib", "Nemiralisib", "GSK-2269557 FREE BASE", "GSK-2269557A", "GSK2269557A", "Nemiralisib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407547", "category": ["biolink:ChemicalEntity"], "name": "FIRSOCOSTAT", "xref": ["InChIKey:ZZWWXIBKLBMSCS-FQEVSTJZSA-N", "SMILES:COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1"], "synonym": ["Firsocostat", "Firsocostat", "Gs-0976", "Ndi-010976", "GS-0976", "GS-ACC", "ND-630", "Firsocostat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1195136", "category": ["biolink:ChemicalEntity"], "name": "SNX 5422", "xref": ["InChIKey:AVDSOVJPJZVBTC-CTYIDZIISA-N", "SMILES:CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](OC(=O)CN)CC4)c3)c2C1"], "synonym": ["Pf-04929113", "Pf-4929113", "Snx 5422", "Snx-5422"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594562", "category": ["biolink:ChemicalEntity"], "name": "ISIS-2503", "synonym": ["Isis 2503", "Isis-2503", "ISIS 2503"]}
{"id": "CHEMBL.TARGET:CHEMBL4627244", "category": ["biolink:NucleicAcidEntity"], "name": "H-Ras mRNA 5'UTR"}
{"id": "CHEMBL.COMPOUND:CHEMBL3304244", "category": ["biolink:ChemicalEntity"], "name": "LY-2940094", "xref": ["InChIKey:NKQHBJNRBKHUQR-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ncccc2CO)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12"], "synonym": ["Btrx-246040", "Ly-2940094", "BTRX-246040", "J3.309.394B"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259571", "category": ["biolink:ChemicalEntity"], "name": "TAPINAROF", "xref": ["InChIKey:ZISJNXNHJRQYJO-CMDGGOBGSA-N", "SMILES:CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O"], "synonym": ["Tapinarof", "Tapinarof", "Tapinarof", "Benvitimod", "Tapinarof", "Vtama", "Wbi-1001", "GSK-2894512", "GSK2894512", "WBI-1001", "Vtama", "Tapinarof"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Aryl hydrocarbon receptor", "xref": ["CHEMBL.TARGET:CHEMBL3201"], "id": "UniProtKB:P35869", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266497", "category": ["biolink:ChemicalEntity"], "name": "SORBINIL", "xref": ["InChIKey:LXANPKRCLVQAOG-NSHDSACASA-N", "SMILES:O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1"], "synonym": ["Sorbinil", "Sorbinil", "Sorbinilo", "Sorbinil", "Sorbinil", "CP-45,634", "CP-45634", "NSC-355082", "Sorbinil"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301621", "category": ["biolink:ChemicalEntity"], "name": "CENTANAFADINE", "xref": ["InChIKey:HKHCSWPSUSWGLI-CABCVRRESA-N", "SMILES:c1ccc2cc([C@]34CNC[C@H]3C4)ccc2c1"], "synonym": ["Centanafadine", "Centanafadina", "Centanafadine", "DOV 216,419", "DOV 216,419 free base", "DOV-216419", "EB-1020", "EB-1020 free base", "Centanafadine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297563", "category": ["biolink:ChemicalEntity"], "name": "PACMILIMAB", "synonym": ["Pacmilimab", "Cx 072", "Cx-072", "Pacmilimab", "CX-072", "CX-072 PROBODY", "CX072", "Pacmilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297856", "category": ["biolink:ChemicalEntity"], "name": "ZIMBERELIMAB", "synonym": ["Zimberelimab", "Ab-122", "Ab122", "Gls-010", "Zimberelimab", "AB-122", "AB122", "GLS-010", "WBP-3055", "WBP3055", "Zimberelimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297511", "category": ["biolink:ChemicalEntity"], "name": "FIRIBASTAT", "xref": ["InChIKey:HJPXZXVKLGEMGP-YUMQZZPRSA-N", "SMILES:N[C@@H](CCS(=O)(=O)O)CSSC[C@@H](N)CCS(=O)(=O)O"], "synonym": ["Firibastat", "Firibastat", "Qgc-001", "Qgc001", "QGC001", "RB-150"], "chembl_prodrug": true, "chembl_natural_product": true}
{"name": "Glutamyl aminopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL3439"], "id": "UniProtKB:Q07075", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257070", "category": ["biolink:ChemicalEntity"], "name": "FAROPENEM MEDOXOMIL", "xref": ["InChIKey:JQBKWZPHJOEQAO-DVPVEWDBSA-N", "SMILES:Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12"], "synonym": ["Faropenem daloxate", "Faropenem medoxomil", "Fropenem daloxate", "A-0026", "A0026", "BAY-56-6854", "SUN-A0026", "Faropenem medoxomil"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1130", "category": ["biolink:ChemicalEntity"], "name": "DOXIFLURIDINE", "xref": ["InChIKey:ZWAOHEXOSAUJHY-ZIYNGMLESA-N", "SMILES:C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O"], "synonym": ["Doxifluridine", "Doxifluridina", "5'-deoxy-5-fluorouridine (5'-dfur)", "Doxifluridine", "Flutron", "Fulturon", "Furtulon", "NSC-758890", "RO 219738", "RO-219738", "Capecitabine related compound b"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2111086", "category": ["biolink:ChemicalEntity"], "name": "CANFOSFAMIDE", "xref": ["InChIKey:OJLHWPALWODJPQ-QNWVGRARSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(=O)O)c1ccccc1)C(=O)O"], "synonym": ["Canfosfamide", "Canfosfamida", "Canfosfamide", "Canfosfamide"], "chembl_prodrug": true, "chembl_natural_product": true}
{"name": "Asialoglycoprotein receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL2084"], "id": "UniProtKB:P07306", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1209734", "category": ["biolink:ChemicalEntity"], "name": "BMS-986094", "xref": ["InChIKey:YFXGICNMLCGLHJ-RSKRLRQZSA-N", "SMILES:COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc23)[C@@H](O)[C@@]1(C)O"], "synonym": ["Bms-986094", "Inx-08189", "BMS-986094", "INX 08189", "INX-08189", "INX-089", "INX-189"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1829433", "category": ["biolink:ChemicalEntity"], "name": "AZD-4877", "xref": ["InChIKey:SMFXSYMLJDHGIE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1"], "synonym": ["Azd 4877", "Azd-4877", "AZD4877"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297886", "category": ["biolink:ChemicalEntity"], "name": "ASUNERCEPT", "synonym": ["Asunercept", "Apg101", "Apocept", "Asinercept", "Asunercept", "APG-101", "APG101", "CAN-008"]}
{"name": "Tumor necrosis factor ligand superfamily member 6", "xref": ["CHEMBL.TARGET:CHEMBL5714"], "id": "UniProtKB:P48023", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2093999", "category": ["biolink:ChemicalEntity"], "name": "ISTAROXIME", "xref": ["InChIKey:MPYLDWFDPHRTEG-IFVNMTGRSA-N", "SMILES:C[C@]12CCC(=NOCCN)C[C@@H]1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "synonym": ["Istaroxime", "Istaroxima", "(e,z)-istaroxime", "Istaroxime", "PST-2744"], "chembl_natural_product": true}
{"name": "Sarcoplasmic/endoplasmic reticulum calcium ATPase 2", "xref": ["CHEMBL.TARGET:CHEMBL3901"], "id": "UniProtKB:P16615", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109058", "category": ["biolink:ChemicalEntity"], "name": "EDIFOLIGIDE SODIUM", "synonym": ["Edifoligide sodium", "E2f duplex decoy", "E2f duplex decoy (trivial name)", "Edifoligide sodium", "CG-T003", "CGT-003", "CGT003", "Edifoligide sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107819", "category": ["biolink:ChemicalEntity"], "name": "BELNACASAN", "xref": ["InChIKey:SJDDOCKBXFJEJB-MOKWFATOSA-N", "SMILES:CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C"], "synonym": ["Belnacasan", "Belcanasan", "Belnacasan", "VX-765", "VX765", "Vx-765", "Belnacasan"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL313971", "category": ["biolink:ChemicalEntity"], "name": "ZUCAPSAICIN", "xref": ["InChIKey:YKPUWZUDDOIDPM-VURMDHGXSA-N", "SMILES:COc1cc(CNC(=O)CCCC/C=C\\C(C)C)ccc1O"], "synonym": ["Zucapsaicin", "Zucapsaicin", "Zucapsaicine", "Zucapsaicina", "Cis-capsaicin", "Civamide", "Zucapsaicin", "Zucapsaicin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL219410", "category": ["biolink:ChemicalEntity"], "name": "ZOTAROLIMUS", "xref": ["InChIKey:CGTADGCBEXYWNE-JUKNQOCSSA-N", "SMILES:CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3cnnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"], "synonym": ["Zotarolimus", "Mdt-4107", "Zotarolimus", "ABT-578", "Zotarolimus"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL135400", "category": ["biolink:ChemicalEntity"], "name": "ZOPICLONE", "xref": ["InChIKey:GBBSUAFBMRNDJC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1"], "synonym": ["Zopiclone", "Zopiclone", "Zopiclone", "Zopiclona", "Amoban", "Imovane", "Zopiclone", "NSC-758463", "RP-27267", "Zileze 3.75", "Zileze 7.5", "Zimovane", "Zimovane ls"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.TARGET:CHEMBL2109244", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; agonist GABA site"}
{"id": "CHEMBL.COMPOUND:CHEMBL1231529", "category": ["biolink:ChemicalEntity"], "name": "BLEOMYCIN A6", "xref": ["InChIKey:FOUFFVYWFNBHHH-YNGSZULRSA-N", "SMILES:Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNCCCN)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1"], "synonym": ["Bleomycin a6", "Boanmycin", "Pingyangmycin a6", "Zhengguangmycin a6"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297253", "category": ["biolink:ChemicalEntity"], "name": "4-DEMETHYL-4-CHOLESTERYLOXYCARBONYLPENCLOMEDINE", "xref": ["InChIKey:ZJUUIXYKTPSIOH-LEZJFEBPSA-N", "SMILES:COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)c1Cl"], "synonym": ["Mipicoledine", "4-demethyl-4-cholesteryloxycarbonylpenclomedine", "Dm-choc-pen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55400", "category": ["biolink:ChemicalEntity"], "name": "PROFLAVINE", "xref": ["InChIKey:WDVSHHCDHLJJJR-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc3ccc(N)cc3nc2c1"], "synonym": ["Proflavine", "Proflavine", "Proflavina", "Proflavine", "Proflavine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594440", "category": ["biolink:ChemicalEntity"], "name": "ZAMICASTAT", "xref": ["InChIKey:ZSSLCFLHEFXANG-GOSISDBHSA-N", "SMILES:Fc1cc(F)c2c(c1)C[C@@H](n1c(CCNCc3ccccc3)c[nH]c1=S)CO2"], "synonym": ["Zamicastat", "Zamicastat"]}
{"name": "Dopamine beta-hydroxylase", "xref": ["CHEMBL.TARGET:CHEMBL3102"], "id": "UniProtKB:P09172", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707276", "category": ["biolink:ChemicalEntity"], "name": "VOSORITIDE", "synonym": ["Vosoritide", "Vosoritide", "Vosoritide", "Vosoritide", "Vosoritida", "Bmn 111", "Vosoritide", "Voxzogo", "BMN 111", "BMN-111", "Voxzogo", "Vosoritide"], "chembl_availability_type": "prescription only"}
{"name": "Atrial natriuretic peptide receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL1795"], "id": "UniProtKB:P20594", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298213", "category": ["biolink:ChemicalEntity"], "name": "VOLAGIDEMAB", "synonym": ["Volagidemab", "Volagidemab", "AMG 477", "AMG-477", "REMD-477", "Volagidemab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594341", "category": ["biolink:ChemicalEntity"], "name": "VIXARELIMAB", "synonym": ["Vixarelimab", "Kpl-716", "Vixarelimab", "30C6 (N73D) IGG4P.AGLY/IGG1", "30C6 [N73D) IgG4P.agly/IgG1", "BIIB-069", "BIIB069", "KPL-716", "Vixarelimab"]}
{"name": "Oncostatin-M-specific receptor subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4630885"], "id": "UniProtKB:Q99650", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108655", "category": ["biolink:ChemicalEntity"], "name": "TOLEVAMER POTASSIUM SODIUM", "synonym": ["Tolevamer potassium sodium", "GT-267-004", "GT-267004", "GT267-004", "Tolevamer potassium sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108872", "category": ["biolink:ChemicalEntity"], "name": "TOLEVAMER SODIUM", "synonym": ["Tolevamer sodium", "GT-160-246", "GT160-246", "Tolevamer sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16498", "category": ["biolink:ChemicalEntity"], "name": "SJG-136", "xref": ["InChIKey:RWZVMMQNDHPRQD-SFTDATJTSA-N", "SMILES:C=C1C[C@H]2C=Nc3cc(OCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)C[C@H]4C=N5)c(OC)cc3C(=O)N2C1"], "synonym": ["Sjg 136", "Sjg-136", "BN-2629", "NSC-694501", "SG-2000", "SP-2001", "UP-2001"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297818", "category": ["biolink:ChemicalEntity"], "name": "RELOXALIASE", "synonym": ["Reloxaliase", "Reloxaliasa", "Alln-177", "Reloxaliase"]}
{"id": "CHEMBL.TARGET:CHEMBL4632341", "category": ["biolink:SmallMolecule"], "name": "Oxalate"}
{"id": "CHEMBL.COMPOUND:CHEMBL1092665", "category": ["biolink:ChemicalEntity"], "name": "SP-420", "xref": ["InChIKey:YASYAEVZKXPYIZ-MRXNPFEDSA-N", "SMILES:COCCOCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1"], "synonym": ["Sp-420", "SP-420"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197194", "category": ["biolink:ChemicalEntity"], "name": "VIDOFLUDIMUS", "xref": ["InChIKey:XPRDUGXOWVXZLL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1"], "synonym": ["Vidofludimus", "Imu-838", "Vidofludimus", "4SC-101", "IMU-838", "NSC-717824", "SC-12267", "SC12267"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989911", "category": ["biolink:ChemicalEntity"], "name": "VELDOREOTIDE", "xref": ["InChIKey:ABFNTRQPWNXUHA-NNIYEDDKSA-N", "SMILES:CC(O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCNC(=O)CCCN(CC(N)=O)C(=O)[C@H](Cc2ccccc2)NC1=O"], "synonym": ["Veldoreotide", "Veldoreotida", "Dg3173", "Somatoprim", "Veldoreotide", "COR-005", "DG-3173", "DG3173", "PTR 3173", "PTR-3173", "Veldoreotide"], "chembl_natural_product": true}
{"name": "Somatostatin receptor type 4", "xref": ["CHEMBL.TARGET:CHEMBL1853"], "id": "UniProtKB:P31391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314379", "category": ["biolink:ChemicalEntity"], "name": "VOCLOSPORIN", "xref": ["InChIKey:BICRTLVBTLFLRD-PTWUADNWSA-N", "SMILES:C=C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "synonym": ["Voclosporin", "Voclosporin", "Voclosporin", "Voclosporin", "Voclosporine", "Voclosporina", "Voclosporin", "Voclosporin", "ISA-247", "ISA247", "ISATX-247", "ISATX247", "LX-211", "LX211", "Lupkynis", "Voclosporin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Protein phosphatase 3 catalytic subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4445"], "id": "UniProtKB:Q08209", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297640", "category": ["biolink:ChemicalEntity"], "name": "VECABRUTINIB", "xref": ["InChIKey:QLRRJMOBVVGXEJ-XHSDSOJGSA-N", "SMILES:NC(=O)[C@H]1CCN(c2ncnc(N)c2F)C[C@@H]1N1CCC[C@@H](Nc2cc(Cl)cc(C(F)(F)F)c2)C1=O"], "synonym": ["Vecabrutinib", "Sns-062", "Vecabrutinib", "BIIB-062", "BSK-4841", "FP-0182", "FP0182", "SNS-062", "Vecabrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650277", "category": ["biolink:ChemicalEntity"], "name": "TAS0612", "xref": ["InChIKey:UVKWCPOZHXNKAZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCCNc1ccc(C2=NN=C(C(F)(F)F)C2)nc1C1CCN(c2ncnc3c2C(C)(C)C(=O)N3)CC1"], "synonym": ["Tas0612"]}
{"id": "CHEMBL.TARGET:CHEMBL4630724", "category": ["biolink:ProteinFamily"], "name": "p90RSK"}
{"id": "CHEMBL.COMPOUND:CHEMBL4535757", "category": ["biolink:ChemicalEntity"], "name": "SOTORASIB", "xref": ["InChIKey:NXQKSXLFSAEQCZ-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1"], "synonym": ["Sotorasib", "Sotorasib", "Sotorasib", "Sotorasib", "Kras g12c inhibitor 9", "Kras mutant-targeting amg 510", "Sotorasib", "AMG-510", "AMG510", "Lumakras", "Lumykras", "Sotorasib"], "chembl_availability_type": "prescription only"}
{"name": "GTPase KRas", "xref": ["CHEMBL.TARGET:CHEMBL2189121"], "id": "UniProtKB:P01116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297480", "category": ["biolink:ChemicalEntity"], "name": "SX-682", "xref": ["InChIKey:SDUDZBCEHIZMFZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1cnc(SCc2cc(OC(F)(F)F)ccc2B(O)O)nc1"], "synonym": ["Sx-682", "SX-682", "SX682"]}
{"id": "CHEMBL.TARGET:CHEMBL2096909", "category": ["biolink:ProteinFamily"], "name": "Interleukin-8 receptors, CXCR1/CXCR2"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297960", "category": ["biolink:ChemicalEntity"], "name": "DAVANAT", "synonym": ["Davanat", "Galactomannan c", "Gm-ct-01", "GM-CT-01"]}
{"name": "Galectin-1", "xref": ["CHEMBL.TARGET:CHEMBL4915"], "id": "UniProtKB:P09382", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650278", "category": ["biolink:ChemicalEntity"], "name": "REVUMENIB SESQUIFUMARATE", "xref": ["InChIKey:AXNUWYROYVRYIM-OQIJCFCCSA-N", "SMILES:CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C.CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O"], "synonym": ["Revumenib sesquifumarate", "Sndx 5613", "Sndx-5613", "SNDX-50613", "SNDX50613", "SNDX5613"]}
{"id": "CHEMBL.TARGET:CHEMBL2093861", "category": ["biolink:MolecularActivity"], "name": "Menin/Histone-lysine N-methyltransferase MLL"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297808", "category": ["biolink:ChemicalEntity"], "name": "DAZUKIBART", "synonym": ["Dazukibart", "Dazukibart", "Dazukibart", "Dazukibart", "Pf-06823859", "PF-06823859", "PF06823859", "Dazukibart"]}
{"name": "Interferon beta", "xref": ["CHEMBL.TARGET:CHEMBL4630876"], "id": "UniProtKB:P01574", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550936", "category": ["biolink:ChemicalEntity"], "name": "BALAPIRAVIR", "xref": ["InChIKey:VKXWOLCNTHXCLF-DXEZIKHYSA-N", "SMILES:CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C"], "synonym": ["Balapiravir", "Balapiravir", "R-1626", "R1626", "RO-4588161", "RO4588161", "Balapiravir"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3686884", "category": ["biolink:ChemicalEntity"], "name": "E-7090", "xref": ["InChIKey:IBHOLSBDZMIPPT-UHFFFAOYSA-N", "SMILES:CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCOC)cc21"], "synonym": ["Tasurgratinib", "E 7090", "E-7090", "E7090", "E-7090", "E7090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297328", "category": ["biolink:ChemicalEntity"], "name": "SUVN-G3031", "xref": ["InChIKey:LNXDUSQEXVQFGP-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1"], "synonym": ["Samelisant", "Samelisant", "Suvn-g3031", "SUVN-G3031 FREE BASE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767164", "category": ["biolink:ChemicalEntity"], "name": "GSK-1004723", "xref": ["InChIKey:YANGEESWIGIKOP-UUWRZZSWSA-N", "SMILES:O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1"], "synonym": ["Gsk-1004723", "Gsk1004723", "GSK1004723"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3678958", "category": ["biolink:ChemicalEntity"], "name": "RUSERONTINIB", "xref": ["InChIKey:WSOHOUHPUOAXIN-UHFFFAOYSA-N", "SMILES:CC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21"], "synonym": ["Ruserontinib", "Ruserontinib", "Ruserontinib", "Ruserontinib", "Sklb 1028", "Sklb1028", "SKLB-1028"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228124", "category": ["biolink:ChemicalEntity"], "name": "ORG-25935", "xref": ["InChIKey:UEBBYLJZCHTLEG-UTKZUKDTSA-N", "SMILES:COc1ccc2c(c1)CC[C@H](CN(C)CC(=O)O)[C@@H]2c1ccccc1"], "synonym": ["Org 25935", "Org-25935", "Org-25935 free base", "Sch 900435", "ORG 25935", "SCH 900435", "SCH-900435"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3707365", "category": ["biolink:ChemicalEntity"], "name": "BEMIPARIN", "synonym": ["Bemiparin", "Bemiparin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108296", "category": ["biolink:ChemicalEntity"], "name": "AGANIRSEN", "synonym": ["Aganirsen", "Aganirsen", "Gs-101"]}
{"id": "CHEMBL.TARGET:CHEMBL4622821", "category": ["biolink:NucleicAcidEntity"], "name": "Insulin receptor substrate 1 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL1089636", "category": ["biolink:ChemicalEntity"], "name": "ANG1005", "xref": ["InChIKey:GBVKRUOMSUTVPW-AHNVSIPUSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]4C[C@@]5(O)[C@@H](OC(=O)c6ccccc6)[C@@H]6[C@]7(OC(C)=O)CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(C)=O)C(=C4C)C5(C)C)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]4C[C@@]5(O)[C@@H](OC(=O)c6ccccc6)[C@@H]6[C@]7(OC(C)=O)CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(C)=O)C(=C4C)C5(C)C)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)[C@@H](C)O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"], "synonym": ["Paclitaxel trevatide", "Paclitaxel trevatida", "Ang1005", "Paclitaxel trevatide", "ANG-1005", "ANG1005"]}
{"name": "Prolow-density lipoprotein receptor-related protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4630884"], "id": "UniProtKB:Q07954", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107729", "category": ["biolink:ChemicalEntity"], "name": "ATACIGUAT", "xref": ["InChIKey:PQHLRGARXNPFCF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1"], "synonym": ["Ataciguat", "Ataciguat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4250860", "category": ["biolink:ChemicalEntity"], "name": "DANICOPAN", "xref": ["InChIKey:PIBARDGJJAGJAJ-NQIIRXRSSA-N", "SMILES:CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12"], "synonym": ["Danicopan", "Danicopan", "Danicopan", "Danicopan", "Ach-0144471", "Danicopan", "Voydeya", "ACH-0144471", "ACH-4471", "Voydeya", "Danicopan"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297679", "category": ["biolink:ChemicalEntity"], "name": "ZINLIRVIMAB", "synonym": ["Zinlirvimab", "Zinlirvimab", "Zinlirvimab", "10-1074", "Zinlirvimab", "10-1074", "10-1074-LS", "GS-2872", "Zinlirvimab"]}
{"name": "Envelope protein", "xref": ["CHEMBL.TARGET:CHEMBL4105927"], "id": "UniProtKB:Q78116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518924", "category": ["biolink:ChemicalEntity"], "name": "MAVORIXAFOR", "xref": ["InChIKey:WVLHHLRVNDMIAR-IBGZPJMESA-N", "SMILES:NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21"], "synonym": ["Mavorixafor", "Mavorixafor", "Mavorixafor", "Amd 070", "Cxcr4 inhibitor x4p-001", "Mavorixafor", "X4p001", "Xolremdi", "AMD-070", "AMD-11070", "AMD070", "AMD11070", "X 4P-001", "X4P-001", "Xolremdi", "Mavorixafor"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650276", "category": ["biolink:ChemicalEntity"], "name": "REZVILUTAMIDE", "xref": ["InChIKey:KRBMOYIWQCZVHA-INIZCTEOSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(OC[C@@H](O)CO)cc1"], "synonym": ["Rezvilutamide", "Rezvilutamide", "Rezvilutamida", "Rezvilutamide", "Shr3680"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650472", "category": ["biolink:ChemicalEntity"], "name": "PUCOTENLIMAB", "synonym": ["Pucotenlimab", "Hx 008", "Hx008", "Pucotenlimab", "HX-008", "HX008"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650298", "category": ["biolink:ChemicalEntity"], "name": "PLB1003", "synonym": ["Plb1003"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984441", "category": ["biolink:ChemicalEntity"], "name": "NINGETINIB", "xref": ["InChIKey:VQYYQSZNRVQLIS-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C"], "synonym": ["Ningetinib", "CT-053 FREE BASE", "CT-053-PTSA FREE BASE", "CT053PTSA FREE BASE"]}
{"name": "Tyrosine-protein kinase Mer", "xref": ["CHEMBL.TARGET:CHEMBL5331"], "id": "UniProtKB:Q12866", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650286", "category": ["biolink:ChemicalEntity"], "name": "M4344", "xref": ["InChIKey:QAYHKBLKSXWOEO-UHFFFAOYSA-N", "SMILES:Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1"], "synonym": ["Gartisertib", "Gartisertib", "M 4344", "M4344", "M-4344", "VX-803"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650285", "category": ["biolink:ChemicalEntity"], "name": "TEMUTERKIB", "xref": ["InChIKey:JNPRPMBJODOFEC-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1"], "synonym": ["Temuterkib", "Ly 3214996", "Temuterkib", "LY-3214996", "LY3214996", "Temuterkib"]}
{"id": "CHEMBL.TARGET:CHEMBL1907606", "category": ["biolink:ProteinFamily"], "name": "Mitogen-activated protein kinase; ERK1/ERK2"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650295", "category": ["biolink:ChemicalEntity"], "name": "AMG553", "synonym": ["Amg553"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091801", "category": ["biolink:ChemicalEntity"], "name": "ALRIZOMADLIN", "xref": ["InChIKey:YJCZPJQGFSSFOL-MNZPCBJKSA-N", "SMILES:CCN1[C@@H](C(=O)NC23CCC(C(=O)O)(CC2)CC3)[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C12CCCCC2"], "synonym": ["Alrizomadlin", "Apg115"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650293", "category": ["biolink:ChemicalEntity"], "name": "APRUTUMAB IXADOTIN", "synonym": ["Aprutumab ixadotin", "Aprutumab ixadotin", "BAY 1187982", "BAY-1187982"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650280", "category": ["biolink:ChemicalEntity"], "name": "ASN007", "xref": ["InChIKey:PWHIUQBBGPGFFV-GOSISDBHSA-N", "SMILES:Cc1cnc(NC2CCOCC2)nc1-n1cnc(C(=O)N[C@H](CN)c2cc(F)cc(Cl)c2)c1"], "synonym": ["Asn007"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577523", "category": ["biolink:ChemicalEntity"], "name": "GOLIDOCITINIB", "xref": ["InChIKey:CVCVOSPZEVINRM-MRXNPFEDSA-N", "SMILES:COc1nn(C)cc1Nc1nccc(-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)n1"], "synonym": ["Golidocitinib", "Azd4205", "Golidocitinib", "AZD-4205", "AZD4205", "AZD4205 free base", "Golidocitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206033", "category": ["biolink:ChemicalEntity"], "name": "BAY1436032", "xref": ["InChIKey:RNMAUIMMNAHKQR-QFBILLFUSA-N", "SMILES:C[C@H]1C[C@@H](n2c(Nc3ccc(OC(F)(F)F)cc3)nc3cc(CCC(=O)O)ccc32)CC(C)(C)C1"], "synonym": ["Bay1436032"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650279", "category": ["biolink:ChemicalEntity"], "name": "TUXOBERTINIB", "xref": ["InChIKey:HIBPKFXWOPYJPZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OCCN1CCOCC1"], "synonym": ["Tuxobertinib", "Bdtx-189", "Tuxobertinib", "BDTX-189", "BDTX189", "Tuxobertinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650296", "category": ["biolink:ChemicalEntity"], "name": "BOS-589", "synonym": ["Bos-589", "GSK3352589"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3977543", "category": ["biolink:ChemicalEntity"], "name": "BELVARAFENIB", "xref": ["InChIKey:KVCQTKNUUQOELD-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12"], "synonym": ["Belvarafenib", "Belvarafenib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650387", "category": ["biolink:ChemicalEntity"], "name": "CDX-301", "synonym": ["Amg-949", "Cdx 301", "Cdx-301"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650292", "category": ["biolink:ChemicalEntity"], "name": "CDX-3379", "synonym": ["Cdx 3379", "Cdx-3379", "Cdx3379", "KTN-3379", "MEDI-3379"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899477", "category": ["biolink:ChemicalEntity"], "name": "CONTELTINIB", "xref": ["InChIKey:NPJCURIANJMFEO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2"], "synonym": ["Conteltinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650282", "category": ["biolink:ChemicalEntity"], "name": "DS-1001B", "xref": ["InChIKey:UPPAAWQBZQBNIE-USRGLUTNSA-N", "SMILES:CC(C)(C)N.Cc1cn(C(=O)c2c(-c3c(Cl)cc(Cl)cc3Cl)noc2C(C)(C)F)c2cccc(/C=C/C(=O)O)c12"], "synonym": ["Ds-1001b"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650274", "category": ["biolink:ChemicalEntity"], "name": "DASIGLUCAGON HYDROCHLORIDE", "synonym": ["Dasiglucagon hydrochloride", "Dasiglucagon hydrochloride", "Zegalogue", "Zegalogue (autoinjector)"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068423", "category": ["biolink:ChemicalEntity"], "name": "ESTETROL", "xref": ["InChIKey:XRJNAPXFAXBPAM-BVTDNVAGSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O.O"], "synonym": ["Estetrol", "Estetrol", "E4 hydrous", "Estetrol component of nextstellis", "Estetrol", "Estetrol monohydrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650272", "category": ["biolink:ChemicalEntity"], "name": "TRILACICLIB DIHYDROCHLORIDE", "xref": ["InChIKey:BRCYOXKEDFAUSA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1.Cl.Cl"], "synonym": ["Trilaciclib dihydrochloride", "G1T28 DIHYDROCHLORIDE", "Cosela"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650273", "category": ["biolink:ChemicalEntity"], "name": "SETMELANOTIDE ACETATE", "xref": ["InChIKey:GOOYENKUPOAYOV-KMKYJKQVSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)NC1=O.CC(=O)O.CC(=O)O"], "synonym": ["Setmelanotide acetate", "RM-493 ACETATE", "Imcivree"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650275", "category": ["biolink:ChemicalEntity"], "name": "LUMASIRAN SODIUM", "synonym": ["Lumasiran sodium", "Lumasiran sodium", "AD-65585 SODIUM", "ALN-65585 SODIUM", "ALN-G01 SODIUM", "ALN-GO1 SODIUM", "Oxlumo"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107486", "category": ["biolink:ChemicalEntity"], "name": "TEBIPENEM PIVOXIL", "xref": ["InChIKey:SNUDIPVBUUXCDG-QHSBEEBCSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12"], "synonym": ["Tebipenem pivoxil", "Tebipenem pivoxil", "Tebipenem pivoxilo", "Tebipenem pivoxil", "Tebipenem pivoxil", "Tebipenem pivoxil", "L-084", "LJC 11,084", "LJC 11084", "LJC-11084", "ME-1211", "ME1211", "TBPM-PI", "Orapenem", "Tebipenem pivoxil"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL4630722", "category": ["biolink:MacromolecularComplex"], "name": "Helicase/primase"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594214", "category": ["biolink:ChemicalEntity"], "name": "ZICONOTIDE", "xref": ["InChIKey:BPKIMPVREBSLAJ-QTBYCLKRSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC3=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"], "synonym": ["Ziconotide", "Ziconotide", "Ziconotida", "Ziconotide", ".omega.-conotoxin m viia", "Ziconotide", "SNX-111", "Ziconotide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1730601", "category": ["biolink:ChemicalEntity"], "name": "GIMERACIL", "xref": ["InChIKey:ZPLQIPFOCGIIHV-UHFFFAOYSA-N", "SMILES:Oc1cc(O)c(Cl)cn1"], "synonym": ["Gimeracil", "Gimeracilo", "Gimeracil", "Gimeracil", "Gimeracil", "Gimestat", "Gimeracil component of teysuno"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594565", "category": ["biolink:ChemicalEntity"], "name": "PABINAFUSP ALFA", "synonym": ["Pabinafusp alfa", "Pabinafusp alfa", "Jr-141", "Pabinafusp alfa", "JR-141", "JR141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201718", "category": ["biolink:ChemicalEntity"], "name": "HYALURONIDASE (HUMAN RECOMBINANT)", "synonym": ["Hyaluronidase recombinant human", "Vorhyaluronidase alfa", "Vorhialuronidasa alfa", "Chemophase", "Enhanze", "Human hyaluronidase", "Hyaluronidase (human recombinant)", "Hyaluronidase (human)", "Hyaluronidase fihj", "Hyaluronidase human recombinant", "Hyaluronidase oysk", "Hyaluronidase zzxf", "Hyaluronidase, human", "Hyaluronidase, human recombinant", "Hyaluronidase-fihj", "Hyaluronidase-ocsq", "Hyaluronidase-oysk", "Hyaluronidase-qvfc", "Hyaluronidase-tqjc", "Hyaluronidase-zzxf", "Vorhyaluronidase alfa", "RHUPH-20", "RHUPH20", "Cumulase", "Hyaluronidase (human recombinant) component of lispro-ph20  rhuph20", "Hylenex", "Hylenex recombinant", "Hyaluronidase (human recombinant)"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4632349", "category": ["biolink:MolecularEntity"], "name": "Biofilm"}
{"id": "CHEMBL.COMPOUND:CHEMBL4585668", "category": ["biolink:ChemicalEntity"], "name": "BELZUTIFAN", "xref": ["InChIKey:LOMMPXLFBTZENJ-ZACQAIPSSA-N", "SMILES:CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F"], "synonym": ["Belzutifan", "Belzutifan", "Belzutifan", "Belzutifan", "Mk-6482", "Pt 2977", "Pt2977", "MK-6482", "MK6482", "PT-2977", "PT2977", "Welireg", "Belzutifan"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Endothelial PAS domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1744522"], "id": "UniProtKB:Q99814", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907479", "category": ["biolink:ChemicalEntity"], "name": "FGFR INHIBITOR DEBIO 1347", "xref": ["InChIKey:BEMNJULZEQTDJY-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1"], "synonym": ["Fgfr inhibitor debio 1347"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4167360", "category": ["biolink:ChemicalEntity"], "name": "IDH305", "xref": ["InChIKey:DCGDPJCUIKLTDU-QWQRMKEZSA-N", "SMILES:Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)F)n2)ncc1-c1ccnc(C(F)(F)F)c1"], "synonym": ["Idh305"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106483", "category": ["biolink:ChemicalEntity"], "name": "VILOXAZINE HYDROCHLORIDE", "xref": ["InChIKey:HJOCKFVCMLCPTP-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1OCC1CNCCO1.Cl"], "synonym": ["Viloxazine hydrochloride", "Viloxazine hydrochloride", "Viloxazine hydrochloride", "Spn-812", "Viloxazine hcl", "Viloxazine hydrochloride", "ICI 58,834", "ICI-58834", "SPN-812", "Qelbree", "Vivalan", "Viloxazine hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297988", "category": ["biolink:ChemicalEntity"], "name": "IDURSULFASE BETA", "synonym": ["Idursulfase beta", "Idursulfase beta", "Idursulfasa beta", "Hunterase", "Idursulfase .beta.", "Idursulfase beta"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297403", "category": ["biolink:ChemicalEntity"], "name": "MELPHALAN FLUFENAMIDE HYDROCHLORIDE", "xref": ["InChIKey:ZCMWSKHHXLCVHI-VROPFNGYSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1.Cl"], "synonym": ["Melphalan flufenamide hydrochloride", "Melflufen", "Melflufen hydrochloride", "Melphalan flufenamide hydrochloride", "CK 1535", "CK-1535", "J-1 HYDROCHLORIDE", "J1 hydrochloride", "Pepaxti", "Pepaxto", "Melphalan flufenamide hydrochloride"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297793", "category": ["biolink:ChemicalEntity"], "name": "NANGIBOTIDE", "synonym": ["Nangibotide", "Nangibotida", "Motrem", "Nangibotide", "LR-12", "LR12"]}
{"name": "Triggering receptor expressed on myeloid cells 1", "xref": ["CHEMBL.TARGET:CHEMBL1697674"], "id": "UniProtKB:Q9NP99", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298195", "category": ["biolink:ChemicalEntity"], "name": "NARSOPLIMAB", "synonym": ["Narsoplimab", "Masp-2 antibody", "Narsoplimab", "OMS-721", "OMS00620646", "OMS620646", "OMS721", "Narsoplimab"]}
{"name": "Mannan-binding lectin serine protease 2", "xref": ["CHEMBL.TARGET:CHEMBL4295646"], "id": "UniProtKB:O00187", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298139", "category": ["biolink:ChemicalEntity"], "name": "SERDEXMETHYLPHENIDATE CHLORIDE", "xref": ["InChIKey:GONQEUJYYMYNMN-HWAJWLCKSA-N", "SMILES:COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC[n+]1cccc(C(=O)N[C@@H](CO)C(=O)O)c1.[Cl-]"], "synonym": ["Serdexmethylphenidate chloride", "KP415 Cl", "Serdexmethylphenidate chloride component of azstarys", "Serdexmethylphenidate chloride"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4583691", "category": ["biolink:ChemicalEntity"], "name": "NAPORAFENIB", "xref": ["InChIKey:UEPXBTCUIIGYCY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1"], "synonym": ["Naporafenib", "Lxh 254", "Lxh254", "Naporafenib", "ERAS-254", "LXH-254", "LXH254", "PAN-RAF INHIBITOR LXH254", "Naporafenib"]}
{"id": "CHEMBL.TARGET:CHEMBL3883317", "category": ["biolink:ProteinFamily"], "name": "B-raf/RAF proto-oncogene serine/threonine-protein kinase"}
{"id": "CHEMBL.COMPOUND:CHEMBL4647810", "category": ["biolink:ChemicalEntity"], "name": "ELIMUSERTIB", "xref": ["InChIKey:YBXRSCXGRPSTMW-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1"], "synonym": ["Elimusertib", "Elimusertib", "BAY-1895344"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650283", "category": ["biolink:ChemicalEntity"], "name": "FF-10101", "xref": ["InChIKey:HJFSVYUFOXAVAA-YUAYGMJFSA-N", "SMILES:CCCNc1nc(Nc2ccc(C#N)cc2)ncc1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C"], "synonym": ["Ff-10101", "FLT3-IN-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650284", "category": ["biolink:ChemicalEntity"], "name": "KO-947", "xref": ["InChIKey:ODIUJYZERXVGEI-UHFFFAOYSA-N", "SMILES:O=C1Nc2cc3[nH]nc(-c4ccncc4)c3cc2CN1Cc1ccccc1"], "synonym": ["Ko-947"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650281", "category": ["biolink:ChemicalEntity"], "name": "CLN-081", "xref": ["InChIKey:MKCYPWYURWOKST-INIZCTEOSA-N", "SMILES:C=CC(=O)N[C@H]1C=C(C)c2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1"], "synonym": ["Zipalertinib", "Cln 081", "Cln-081", "Zipalertinib", "CLN081", "TAS-6417", "TAS6417", "TPC-064", "TPC064"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650288", "category": ["biolink:ChemicalEntity"], "name": "FLYSYN", "synonym": ["Flysyn"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650289", "category": ["biolink:ChemicalEntity"], "name": "KBP5209", "synonym": ["Kbp5209"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650290", "category": ["biolink:ChemicalEntity"], "name": "GC1118", "synonym": ["Gc1118"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287735", "category": ["biolink:ChemicalEntity"], "name": "GSK2816126", "xref": ["InChIKey:FKSFKBQGSFSOSM-QFIPXVFZSA-N", "SMILES:CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21"], "synonym": ["Gsk2816126"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650297", "category": ["biolink:ChemicalEntity"], "name": "HMPL-453", "synonym": ["Hmpl-453"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650294", "category": ["biolink:ChemicalEntity"], "name": "IMALUMAB", "synonym": ["Imalumab", "Imalumab", "BAX-069", "BAX-69", "BAX69"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4301162", "category": ["biolink:ChemicalEntity"], "name": "SERDEXMETHYLPHENIDATE", "xref": ["InChIKey:UBZPNQRBUOBBLN-PWRODBHTSA-O", "SMILES:COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC[n+]1cccc(C(=O)N[C@@H](CO)C(=O)O)c1"], "synonym": ["Serdexmethylphenidate", "Serdexmetilfenidato", "Serdexmethylphenidate", "KP-415 INNER SALT"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297981", "category": ["biolink:ChemicalEntity"], "name": "IMLIFIDASE", "synonym": ["Imlifidase", "Imlifidase", "Imlifidase", "Imlifidasa", "Hmed-ides", "Ides recombinant", "Imlifidase", "HMED-IdeS", "HMEDIDES", "IdeS", "Idefirix", "Imlifidase"]}
{"id": "CHEMBL.TARGET:CHEMBL4630661", "category": ["biolink:MolecularEntity"], "name": "Antibodies"}
{"id": "CHEMBL.COMPOUND:CHEMBL3137330", "category": ["biolink:ChemicalEntity"], "name": "CABOTEGRAVIR SODIUM", "xref": ["InChIKey:AEZBWGMXBKPGFP-KIUAEZIZSA-M", "SMILES:C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N12.[Na+]"], "synonym": ["Cabotegravir sodium", "Cabotegravir sodium", "Cabotegravir sodium", "GSK-1265744B", "GSK1265744B", "S-265744B", "Vocabria", "Cabotegravir sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4632345", "category": ["biolink:SmallMolecule"], "name": "Edoxaban"}
{"id": "CHEMBL.COMPOUND:CHEMBL2095206", "category": ["biolink:ChemicalEntity"], "name": "BOSUTINIB MONOHYDRATE", "xref": ["InChIKey:BXPOSPOKHGNMEP-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl.O"], "synonym": ["Bosutinib (as monohydrate)", "Bosutinib monohydrate", "Bosutinib monohydrate", "Bosutinib hydrate", "Bosutinib (as monohydrate)", "Bosutinib hydrate", "Bosutinib monohydrate", "SKI-606 MONOHYDRATE", "Bosulif"], "chembl_availability_type": "prescription only"}
{"name": "NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)", "id": "CHEMBL.TARGET:CHEMBL2111387", "category": ["biolink:Protein"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108214", "category": ["biolink:ChemicalEntity"], "name": "AGALSIDASE ALFA", "synonym": ["Agalsidase alfa", "Agalsidase alfa", "Agalsidase alfa", "Agalsidase alfa", "Agalsidase alfa", "Agalsidasa alfa", "Agalsidase alfa (genetical recombination)", "Agalsidase alfa", ".alpha.-d-galactopyranosidase", ".alpha.-d-galactosidase", "Agalsidase alfa", "Alpha-d-galactosidase", "Alpha-galactisidase", "Melibiase", "Recombinant alpha-galactosidase a", "DRX-005B", "DRX005B", "EC 3.2.1.22", "Replagal", "Agalsidase alfa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650470", "category": ["biolink:ChemicalEntity"], "name": "EFPEGLENATIDE", "synonym": ["Efpeglenatide", "Efpeglenatide", "Hm11260c", "Langlenatide", "HM-11260C", "HM11260C", "SAR-439977", "SAR439977", "Efpeglenatide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79261", "category": ["biolink:ChemicalEntity"], "name": "DU 125530", "xref": ["InChIKey:LYXKFNHUJJDTIA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cc(Cl)cc3c2OCCO3)CC1"], "synonym": ["Du 125530", "Du125530", "DU-125530"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298185", "category": ["biolink:ChemicalEntity"], "name": "LONAPEGSOMATROPIN", "synonym": ["Lonapegsomatropin", "Lonapegsomatropin", "Lonapegsomatropin-tcgd", "Lonapegsomatropin", "Lonapegsomatropine", "Lonapegsomatropina", "Lonapegsomatropin", "Lonapegsomatropin tcgd", "ACP-011", "TRANSCONPEG-HGH", "TransConPEG hGh", "rhGH-PEG", "Skytrofa", "Skytrofa (previously lonapegsomatropin ascendis pharma)", "Stem-stat ortho", "Lonapegsomatropin"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3969876", "category": ["biolink:ChemicalEntity"], "name": "IMARIKIREN HYDROCHLORIDE", "xref": ["InChIKey:PUXOYQIZZIWCHH-NSLUPJTDSA-N", "SMILES:COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21.Cl"], "synonym": ["Imarikiren hydrochloride", "Tak-272", "TAK-272", "TAK-272, (+)-"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650365", "category": ["biolink:ChemicalEntity"], "name": "CAMIZESTRANT", "xref": ["InChIKey:WDHOIABIERMLGY-CMJOXMDJSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F"], "synonym": ["Camizestrant", "Azd9833", "Camizestrant", "AZ-14066724", "AZ14066724", "AZD-9833", "AZD9833", "Camizestrant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46423", "category": ["biolink:ChemicalEntity"], "name": "NEVANIMIBE", "xref": ["InChIKey:PKKNCEXEVUFFFI-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N(C)C)cc2)CCCC1"], "synonym": ["Nevanimibe", "Nevanimiba", "ATR-101 FREE BASE", "PD 132301", "PD-132301", "Nevanimibe"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459585", "category": ["biolink:ChemicalEntity"], "name": "ROPSACITINIB", "xref": ["InChIKey:XPLZTJWZDBFWDE-OYOVHJISSA-N", "SMILES:Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@@H](C#N)C4)c3)n2)cn1"], "synonym": ["Ropsacitinib", "Pf-06826647", "Ropsacitinib", "PF-06826647", "PF-647", "PF647", "Ropsacitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL61872", "category": ["biolink:ChemicalEntity"], "name": "TALAMPANEL", "xref": ["InChIKey:JACAAXNEHGBPOQ-LLVKDONJSA-N", "SMILES:CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3"], "synonym": ["Talampanel", "Talampanel", "(-)-talampanel", "Ly300164", "Talampanel", "GYKI-53773", "LY-300164"], "chembl_natural_product": true}
{"name": "Glutamate receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4016"], "id": "UniProtKB:P42262", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989910", "category": ["biolink:ChemicalEntity"], "name": "CAVOSONSTAT", "xref": ["InChIKey:BXSZILNGNMDGSL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc3cc(O)ccc3n2)c(Cl)c1"], "synonym": ["Cavosonstat", "Cavosonstat", "N-91115", "N91115", "Cavosonstat"]}
{"name": "Alcohol dehydrogenase class-3", "xref": ["CHEMBL.TARGET:CHEMBL4116"], "id": "UniProtKB:P11766", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989972", "category": ["biolink:ChemicalEntity"], "name": "BALIPODECT", "xref": ["InChIKey:KVHRYLNQDWXAGI-UHFFFAOYSA-N", "SMILES:COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O"], "synonym": ["Balipodect", "Balipodect", "TAK-063", "Balipodect"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25263", "category": ["biolink:ChemicalEntity"], "name": "MIRIDESAP", "xref": ["InChIKey:HZLAWYIBLZNRFZ-VXGBXAGGSA-N", "SMILES:O=C(O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)O"], "synonym": ["Miridesap", "Cphpc", "Gsk2315698", "Miridesap", "CPHPC", "GSK-2315698", "GSK2315698", "RO-638695", "Ro 63-8695", "Miridesap"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL578390", "category": ["biolink:ChemicalEntity"], "name": "APX-3330", "xref": ["InChIKey:AALSSIXXBDPENJ-FYWRMAATSA-N", "SMILES:CCCCCCCCC/C(=C\\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)O"], "synonym": ["Apx-3330", "Apx3330", "APX 3330", "APX-3330", "APX3330", "E 3330", "E-3330"]}
{"name": "DNA repair nuclease/redox regulator APEX1", "xref": ["CHEMBL.TARGET:CHEMBL5619"], "id": "UniProtKB:P27695", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137346", "category": ["biolink:ChemicalEntity"], "name": "PEGARGIMINASE", "synonym": ["Pegargiminase", "Pegargiminasa", "Adi-peg20 arginine deiminase", "Pegargiminase", "Pegylated arginine deiminase", "0B7PYQ9YRT", "ADI-PEG", "ADI-PEG 20", "ADI-PEG-20", "ADI-PEG20", "ADI-SS", "ADIPEG20", "PEG 20", "Pegargiminase"]}
{"id": "CHEMBL.TARGET:CHEMBL4651302", "category": ["biolink:SmallMolecule"], "name": "L-arginine"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297803", "category": ["biolink:ChemicalEntity"], "name": "PEGZILARGINASE", "synonym": ["Pegzilarginase", "Pegzilarginase", "Pegzilarginase", "Pegzilarginasa", "Aeb1102", "Co-argi-peg", "Pegzilarginase", "AEB-1102", "AEB1102", "Loargys", "Pegzilarginase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328560", "category": ["biolink:ChemicalEntity"], "name": "SULTHIAME", "xref": ["InChIKey:HMHVCUVYZFYAJI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1"], "synonym": ["Sultiame", "Sulthiame", "Sultiame", "Sultiame", "Sultiame", "Sultiamo", "Sultiame", "Sulthiame", "Sulthiame", "Sultiame", "RIKER 594", "RIKER-594", "Conadil", "Ospolot", "Trolone", "Sulthiame"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2111109", "category": ["biolink:ChemicalEntity"], "name": "TASIDOTIN", "xref": ["InChIKey:QMCOCIWNMHBIIA-LROMGURASA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C)C(C)C"], "synonym": ["Tasidotin", "Tasidotine", "Tasidotina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786673", "category": ["biolink:ChemicalEntity"], "name": "EDASALONEXENT", "xref": ["InChIKey:JQLBBYLGWHUHRW-KUBAVDMBSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)NCCNC(=O)c1ccccc1O"], "synonym": ["Edasalonexent", "Edasalonexento", "Cat 1004", "Cat-1004", "Edasalonexent", "CAT 1004", "CAT-1004", "CAT1004", "Edasalonexent"]}
{"id": "CHEMBL.TARGET:CHEMBL2094258", "category": ["biolink:MacromolecularComplex"], "name": "Nuclear factor NF-kappa-B complex"}
{"id": "CHEMBL.COMPOUND:CHEMBL296522", "category": ["biolink:ChemicalEntity"], "name": "RENZAPRIDE", "xref": ["InChIKey:GZSKEXSLDPEFPT-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2"], "synonym": ["Renzapride", "Renzaprida", "Renzapride", "Brl-24924", "Renzapride", "ATL-1251", "BRL 24924A", "BRL-24924A"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834657", "category": ["biolink:ChemicalEntity"], "name": "INFIGRATINIB PHOSPHATE", "xref": ["InChIKey:GUQNHCGYHLSITB-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1.O=P(O)(O)O"], "synonym": ["Infigratinib phosphate", "Infigratinib monophosphate", "Infigratinib phosphate", "BGJ-398 phosphate", "Truseltiq", "Infigratinib phosphate"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105756", "category": ["biolink:ChemicalEntity"], "name": "TIVOZANIB HYDROCHLORIDE", "xref": ["InChIKey:RQXMKRRBJITKRN-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC.Cl.O"], "synonym": ["Tivozanib hydrochloride", "Tivozanib hydrochloride", "(tivozanib hydrochloride hydrate", "Tivozanib hydrochloride", "Tivozanib hydrochloride monohydrate", "AV-951", "Fotivda", "Tivozanib hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2402904", "category": ["biolink:ChemicalEntity"], "name": "FELCISETRAG", "xref": ["InChIKey:MZOITCJKGUIQEI-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4[nH]c(C(C)C)nc34)CC2)CC1"], "synonym": ["Felcisetrag", "Felcisetrag", "Tak-954", "Td-8954", "TAK-954", "TD-8954", "THRX-149699", "Felcisetrag"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1922235", "category": ["biolink:ChemicalEntity"], "name": "DAREXABAN", "xref": ["InChIKey:IJNIQYINMSGIPS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1"], "synonym": ["Darexaban", "Darexaban", "Tanexaban", "YM-150", "YM150"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4298168", "category": ["biolink:ChemicalEntity"], "name": "IBREXAFUNGERP CITRATE", "xref": ["InChIKey:WKIRTJACGBEXBZ-FQGZCCSZSA-N", "SMILES:CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@@]4(C)[C@@H](OC[C@](C)(N)C(C)(C)C)[C@H](n4ncnc4-c4ccncc4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Ibrexafungerp citrate", "SCY-078 citrate", "Brexafemme", "Ibrexafungerp citrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL223402", "category": ["biolink:ChemicalEntity"], "name": "RSV-604", "xref": ["InChIKey:MTPVBMVUENFFLL-HXUWFJFHSA-N", "SMILES:O=C(Nc1ccccc1F)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O"], "synonym": ["A-60444", "Rsv-604", "Rsv-604a", "Rsv604", "A-60444", "RSV 604", "RSV-604", "RSV604", "RSV604A"]}
{"name": "Nucleoprotein", "xref": ["CHEMBL.TARGET:CHEMBL4105793"], "id": "UniProtKB:P03418", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11259"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990000", "category": ["biolink:ChemicalEntity"], "name": "TIBULIZUMAB", "synonym": ["Tibulizumab", "Tibulizumab", "LY-3090106", "LY3090106", "Tibulizumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468815", "category": ["biolink:ChemicalEntity"], "name": "ZIRESOVIR", "xref": ["InChIKey:GAAICKUTDBZCMT-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)nc(NCC3(N)COC3)c2c1"], "synonym": ["Ziresovir", "Ak0529", "Ziresovir", "AK-0529", "AK0529", "RO-0529"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650393", "category": ["biolink:ChemicalEntity"], "name": "EPCORITAMAB", "synonym": ["Epcoritamab", "Epcoritamab", "Epcoritamab", "Epcoritamab-bysp", "Epcoritamab", "Epcoritamab", "Epcoritamab-bysp", "Epkinly", "GEN-3013", "GEN3013", "Epkinly", "Tepkinly", "Epcoritamab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297462", "category": ["biolink:ChemicalEntity"], "name": "CFI-400945", "xref": ["InChIKey:AQCDFVLWUWJREO-WQVJSASDSA-N", "SMILES:COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2.O=C(O)/C=C/C(=O)O"], "synonym": ["Cfi 400945", "Cfi-400945", "Cfi-400945 fumarate", "Ocifisertib fumarate", "CFI-400945", "CFI-400945 FUMARATE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106499", "category": ["biolink:ChemicalEntity"], "name": "VALTORCITABINE", "xref": ["InChIKey:VFCYZPOEGWLYRM-QCZKYFFMSA-N", "SMILES:CC(C)[C@H](N)C(=O)O[C@@H]1C[C@@H](n2ccc(N)nc2=O)O[C@H]1CO"], "synonym": ["Valtorcitabine", "Valtorcitabina", "3'-val-l-dc", "Valtorcitabine"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297774", "category": ["biolink:ChemicalEntity"], "name": "AMIVANTAMAB", "synonym": ["Amivantamab", "Amivantamab", "Amivantamab-vmjw", "Amivantamab", "Amivantamab", "Amivantamab vmjw", "Jnj 61186372", "Jnj-61186372", "CNTO-4424", "CNTO4424", "JNJ 61186372", "JNJ-611", "JNJ-61186372", "JNJ-6372", "Rybrevant", "Amivantamab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544978", "category": ["biolink:ChemicalEntity"], "name": "ZOLIFLODACIN", "xref": ["InChIKey:ZSWMIFNWDQEXDT-ZESJGQACSA-N", "SMILES:C[C@@H]1CN2c3c(cc4c(N5C(=O)OC[C@@H]5C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1"], "synonym": ["Zoliflodacin", "Zoliflodacine", "Zoliflodacina", "Zoliflodacin", "AZD-0914", "AZD0914", "ETX-0914", "ETX0914", "Zoliflodacin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297809", "category": ["biolink:ChemicalEntity"], "name": "ELRANATAMAB", "synonym": ["Elranatamab", "Elranatamab", "Elranatamab", "Elranatamab", "Elranatamab", "Elranatamab-bcmm", "Pf-06863135", "PF-06863135", "RN-613", "RN613", "Elrexfio", "Elranatamab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594505", "category": ["biolink:ChemicalEntity"], "name": "TECLISTAMAB", "synonym": ["Teclistamab", "Teclistamab", "Teclistamab", "Teclistamab-cqyv", "Teclistamab", "Jnj 64007957", "Teclistamab", "Teclistamab cqyv", "BCMAxCD3", "JNJ-64007957", "Tecvayli", "Teclistamab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650437", "category": ["biolink:ChemicalEntity"], "name": "EBDAROKIMAB", "synonym": ["Ebdarokimab", "Ak101", "Ebdarokimab", "AK-101", "AK101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297777", "category": ["biolink:ChemicalEntity"], "name": "LMB-100", "synonym": ["Anti-msln-pe24 cfp lmb-100", "Lmb 100", "Lmb-100", "Ro6927005", "LMB-100", "RG-7787", "RG7787", "RO-6927005", "RO6927005"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297939", "category": ["biolink:ChemicalEntity"], "name": "DATOPOTAMAB DERUXTECAN", "synonym": ["Datopotamab deruxtecan", "Datopotamab deruxtecan", "Datopotamab deruxtecan", "Ds-1062", "Ds-1062a", "ADC DS-1062A", "DS-1062", "DS-1062a", "DS1062", "Dato-DXd", "Datopotamab deruxtecan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108058", "category": ["biolink:ChemicalEntity"], "name": "VANUTIDE CRIDIFICAR", "synonym": ["Vanutide cridificar", "Vanutida cridificar", "Vanutide cridificar", "ACC-001", "Vanutide cridificar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2111051", "category": ["biolink:ChemicalEntity"], "name": "TALSACLIDINE", "xref": ["InChIKey:XVFJONKUSLSKSW-JTQLQIEISA-N", "SMILES:C#CCO[C@H]1CN2CCC1CC2"], "synonym": ["Talsaclidine", "Talsaclidina", "Talsaclidine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594471", "category": ["biolink:ChemicalEntity"], "name": "EFEPOETIN ALFA", "synonym": ["Efepoetin alfa", "Efepoetin alfa", "Efepoetine alfa", "Efepoetina alfa", "Efepoetin alfa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594608", "category": ["biolink:ChemicalEntity"], "name": "AXATILIMAB", "synonym": ["Axatilimab", "Axatilimab-csfr", "Axatilimab", "Axatilimab", "Sndx-6352", "SNDX-6352", "SNDX6352", "UCB-6352", "UCB6352", "Niktimvo", "Axatilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4130229", "category": ["biolink:ChemicalEntity"], "name": "VODOBATINIB", "xref": ["InChIKey:ZQOBVMHBVWNVBG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NNC(=O)c2c(C)cccc2Cl)cc1C#Cc1cnc2ccccc2c1"], "synonym": ["Vodobatinib", "K-0706", "K0706", "Sco-088", "Vodobatinib", "K0706", "Vodobatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563646", "category": ["biolink:ChemicalEntity"], "name": "EVATANEPAG", "xref": ["InChIKey:WOHRHWDYFNWPNG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1"], "synonym": ["Evatanepag", "Evatanepag", "CP-533,536", "CP-533536", "Evatanepag"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989794", "category": ["biolink:ChemicalEntity"], "name": "DAGLUTRIL", "xref": ["InChIKey:FVWPYVZWVOLAOP-DQEYMECFSA-N", "SMILES:CCOC(=O)[C@H](CCCc1ccccc1)C1(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)CCCC1"], "synonym": ["Daglutril", "Daglutrilo", "Daglutril", "SLV-306", "SLV306"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4475463", "category": ["biolink:ChemicalEntity"], "name": "AMCENESTRANT", "xref": ["InChIKey:KISZAGQTIXIVAR-VWLOTQADSA-N", "SMILES:O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1"], "synonym": ["Amcenestrant", "Amcenestrant", "Sar439859", "SAR-439859", "SAR439859", "Amcenestrant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297650", "category": ["biolink:ChemicalEntity"], "name": "BRIMAPITIDE", "xref": ["InChIKey:BAAXVYBAMNDCIB-BMCUWHFPSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(=O)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)[C@H](C)O)[C@H](C)O"], "synonym": ["Brimapitide", "Brimapitida", "Brimapitide", "Xg-102"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989936", "category": ["biolink:ChemicalEntity"], "name": "VILAPRISAN", "xref": ["InChIKey:JUFWQQVHQFDUOD-ANRPBIDPSA-N", "SMILES:C[C@]12C[C@H](c3ccc(S(C)(=O)=O)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F"], "synonym": ["Vilaprisan", "Vilaprisan", "BAY-1002670", "BAY1002670", "Vilaprisan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297648", "category": ["biolink:ChemicalEntity"], "name": "SELETALISIB", "xref": ["InChIKey:LNLJHGXOFYUARS-OAQYLSRUSA-N", "SMILES:[O-][n+]1cccc(-c2nc3c(Cl)cccc3cc2[C@@H](Nc2ncnc3cccnc23)C(F)(F)F)c1"], "synonym": ["Seletalisib", "Seletalisib", "Ucb5857", "UCB-5857", "UCB5857"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402737", "category": ["biolink:ChemicalEntity"], "name": "IDASANUTLIN", "xref": ["InChIKey:TVTXCJFHQKSQQM-LJQIRTBHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"], "synonym": ["Idasanutlin", "Idasanutline", "Idasanutlina", "Idasanutlin", "RG-7388", "RG7388", "RO-5503781", "RO5503781", "Idasanutlin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252164", "category": ["biolink:ChemicalEntity"], "name": "LUMINESPIB", "xref": ["InChIKey:NDAZATDQFDPQBD-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1"], "synonym": ["Luminespib", "Luminespib", "NVP-AUY-922", "NVP-AUY922-NX", "VER-52296", "Luminespib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316582", "category": ["biolink:ChemicalEntity"], "name": "OLVEREMBATINIB", "xref": ["InChIKey:TZKBVRDEOITLRB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2[nH]ncc2c1"], "synonym": ["Hqp1351", "Olverembatinib", "Olverembatinib dimesylate", "D-824", "D-824 DIMESYLATE", "GZD-824", "GZD-824 DIMESYLATE", "HQP-1351", "HQP-1351 DIMESYLATE", "HQP1351", "HQP1351 DIMESYLATE", "Olverembatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297523", "category": ["biolink:ChemicalEntity"], "name": "PIROMELATINE", "xref": ["InChIKey:PNTNBIHOAPJYDB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)cco3)c2c1"], "synonym": ["Piromelatine", "Piromelatina", "Neu-p11", "Piromelatine", "NEU-P-11", "NEU-P11"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297521", "category": ["biolink:ChemicalEntity"], "name": "PADSEVONIL", "xref": ["InChIKey:DCXFIOLWWRXEQH-SSDOTTSWSA-N", "SMILES:COCc1nn2c(CN3C[C@@H](CC(F)(F)Cl)CC3=O)c(C(F)(F)F)nc2s1"], "synonym": ["Padsevonil", "Padsevonil", "Ucb0942", "UCB-0942", "UCB-1415943-000", "UCB0942", "UCB1415943-000", "Padsevonil"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108339", "category": ["biolink:ChemicalEntity"], "name": "EGAPTIVON PEGOL", "synonym": ["Egaptivon pegol", "Arc1779", "Egaptivon pegol", "ARC-1779", "ARC1779", "Egaptivon pegol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298207", "category": ["biolink:ChemicalEntity"], "name": "ZILUCOPLAN", "synonym": ["Zilucoplan", "Zilucoplan", "Zilucoplan", "RA101495", "Zilucoplan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298092", "category": ["biolink:ChemicalEntity"], "name": "GLOFITAMAB", "synonym": ["Glofitamab", "Glofitamab", "Glofitamab", "Glofitamab-gxbm", "Glofitamab", "Columvi", "Glofitamab", "Glofitamab-gxbm", "Ro7082859", "RG-6026", "RG6026", "RO-7082859", "RO7082859", "Columvi", "Glofitamab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544994", "category": ["biolink:ChemicalEntity"], "name": "VOLANESORSEN", "synonym": ["Volanesorsen", "Volanesorsen", "Volanesorsen", "Volanesorsen", "ISIS 304801", "ISIS 304801 FREE ACID", "ISIS-304801", "Volanesorsen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23293", "category": ["biolink:ChemicalEntity"], "name": "SALIRASIB", "xref": ["InChIKey:WUILNKCFCLNXOK-CFBAGHHKSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O"], "synonym": ["Salirasib", "Salirasib", "FTS", "Salirasib"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL4524006", "category": ["biolink:ProteinFamily"], "name": "RAS"}
{"id": "CHEMBL.COMPOUND:CHEMBL3707279", "category": ["biolink:ChemicalEntity"], "name": "ADAGLOXAD SIMOLENIN", "synonym": ["Adagloxad simolenin", "OBI-822", "OPT-822", "Adagloxad simolenin"]}
{"id": "CHEMBL.TARGET:CHEMBL4651381", "category": ["biolink:SmallMolecule"], "name": "Globohexaosylceramide"}
{"id": "CHEMBL.COMPOUND:CHEMBL221886", "category": ["biolink:ChemicalEntity"], "name": "SISOMICIN", "xref": ["InChIKey:URWAJWIAIPFPJE-YFMIWBNJSA-N", "SMILES:CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O"], "synonym": ["Sisomicin", "Sissomicin", "Sisomicin", "Sisomicine", "Sisomicina", "Sisomicin", "Rickamicin", "Sisomicin", "SCH 13475", "Sisomicin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297712", "category": ["biolink:ChemicalEntity"], "name": "C16G2", "synonym": ["C16g2", "C16G2", "STAMP C16G2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594304", "category": ["biolink:ChemicalEntity"], "name": "DANICAMTIV", "xref": ["InChIKey:NREKKBAMVWQRES-MRXNPFEDSA-N", "SMILES:Cn1cc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Nc3ccon3)CC2)c(C(F)F)n1"], "synonym": ["Danicamtiv", "Danicamtiv", "Myk-491", "MYK-491", "MYK491", "SAR-440181", "SAR440181", "Danicamtiv"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650473", "category": ["biolink:ChemicalEntity"], "name": "IBI-939", "synonym": ["Tamgiblimab", "Ibi 939", "Ibi-939", "Ibi939", "IBI-939", "IBI939"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650411", "category": ["biolink:ChemicalEntity"], "name": "OCIPERLIMAB", "synonym": ["Ociperlimab", "Bgb-a1217", "Ociperlimab", "BGB-A1217", "BGBA-1217", "BGBA1217", "Ociperlimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108752", "category": ["biolink:ChemicalEntity"], "name": "PEGAPTANIB OCTASODIUM", "synonym": ["Pegaptanib octasodium", "Pegaptanib octasodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL21536", "category": ["biolink:ChemicalEntity"], "name": "XANOMELINE", "xref": ["InChIKey:JOLJIIDDOBNFHW-UHFFFAOYSA-N", "SMILES:CCCCCCOc1nsnc1C1=CCCN(C)C1"], "synonym": ["Xanomeline", "Xanomelina", "Xanomeline", "Xanomeline", "LY-246708", "LY-246708 FREE BASE", "LY246708", "Xanomeline"], "chembl_availability_type": "prescription only"}
{"name": "Muscarinic acetylcholine receptor M4", "xref": ["CHEMBL.TARGET:CHEMBL1821"], "id": "UniProtKB:P08173", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297322", "category": ["biolink:ChemicalEntity"], "name": "PRX-08066", "xref": ["InChIKey:RPYIKXHIQXRXEM-WLHGVMLRSA-N", "SMILES:N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F.O=C(O)/C=C/C(=O)O"], "synonym": ["Prx-08066"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107863", "category": ["biolink:ChemicalEntity"], "name": "RINDOPEPIMUT", "synonym": ["Rindopepimut", "CDX-110", "PF-04948568", "PF-04948568 (FORMERLY CDX-110)", "Rindopepimut"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297293", "category": ["biolink:ChemicalEntity"], "name": "JNJ-18038683", "xref": ["InChIKey:DIQZMBPDLFAJLK-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nn(Cc3ccccc3)c3c2CCNCC3)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Jnj-18038683"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3305901", "category": ["biolink:ChemicalEntity"], "name": "MK-0812", "xref": ["InChIKey:MTMDXAIUENDNDL-RJSMDTJLSA-N", "SMILES:CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1"], "synonym": ["Mk-0812", "Mk0812"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260567", "category": ["biolink:ChemicalEntity"], "name": "VACTOSERTIB", "xref": ["InChIKey:FJCDSQATIJKQKA-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1"], "synonym": ["Vactosertib", "Ew-7197", "Tew 7197", "Tew-7197", "Vactosertib", "TEW-7197"]}
{"name": "Endothelin-converting enzyme 1", "xref": ["CHEMBL.TARGET:CHEMBL4791"], "id": "UniProtKB:P42892", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069704", "category": ["biolink:ChemicalEntity"], "name": "RODATRISTAT ETHYL", "xref": ["InChIKey:TZSZZENYCISATO-WIOPSUGQSA-N", "SMILES:CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(Cl)cc4-c4ccccc4)C(F)(F)F)nc(N)n3)CC2)CN1"], "synonym": ["Rodatristat ethyl", "KAR-5585", "KAR5585", "Rodatristat ethyl"], "chembl_prodrug": true}
{"name": "Tryptophan 5-hydroxylase 1", "xref": ["CHEMBL.TARGET:CHEMBL5689"], "id": "UniProtKB:P17752", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213583", "category": ["biolink:ChemicalEntity"], "name": "GESTODENE", "xref": ["InChIKey:SIGSPDASOTUPFS-XUDSTZEESA-N", "SMILES:C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC"], "synonym": ["Gestodene", "Gestodene", "Gestodeno", "Gestodene", "Gestodene", "SH B 331", "SH-B-331", "Gestodene"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108054", "category": ["biolink:ChemicalEntity"], "name": "TADEKINIG ALFA", "synonym": ["Tadekinig alfa", "Il-18bp", "Il18bp", "Interleukin-18-binding protein", "Tadekinig alfa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297718", "category": ["biolink:ChemicalEntity"], "name": "CD40 LIGAND", "synonym": ["Cd40 ligand", "Cd40 ligand recombinant", "Recombinant cd40-ligand", "Recombinant human cd40 ligand", "Soluble cd154 recombinant", "AMG-950"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488937", "category": ["biolink:ChemicalEntity"], "name": "CG-400549", "xref": ["InChIKey:YCLREGRRHGLOAK-UHFFFAOYSA-N", "SMILES:Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O"], "synonym": ["Nilofabicin", "Cg-400549", "Cg400549", "CG-400459", "CG-400549", "CG400549"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297440", "category": ["biolink:ChemicalEntity"], "name": "T-900607", "xref": ["InChIKey:FSXLOWIFSZNIMV-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1NC(N)=O"], "synonym": ["T-900607", "T900607", "T 900607", "T900607"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255582", "category": ["biolink:ChemicalEntity"], "name": "FIPAMEZOLE", "xref": ["InChIKey:KXSUAWAUCNFBQJ-UHFFFAOYSA-N", "SMILES:CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1"], "synonym": ["Fipamezole", "Fipamezol", "Fipamezole"]}
{"id": "CHEMBL.COMPOUND:CHEMBL245019", "category": ["biolink:ChemicalEntity"], "name": "MIZORIBINE", "xref": ["InChIKey:HZQDCMWJEBCWBR-UUOKFMHZSA-N", "SMILES:NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O"], "synonym": ["Mizoribine", "Mizoribina", "Bredinin", "Mizoribine", "NSC-289637"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6067997", "category": ["biolink:ChemicalEntity"], "name": "APILIMOD MESYLATE", "xref": ["InChIKey:QAFWUMUPMXXFFK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(S(C)(=O)=O)[nH]c2-c2ccc(OC)cc2)cc1.CS(=O)(=O)O.CS(=O)(=O)O"], "synonym": ["Apilimod bis-mesylate", "Apilimod dimesylate", "Apilimod mesilate", "Apilimod mesylate", "Sta 5326 mesilate", "Sta 5326 mesylate", "Sta-5326 mesilate", "Sta-5326 mesylate", "STA 5326 MESYLATE", "STA-5326 MESYLATE", "Apilimod mesylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426621", "category": ["biolink:ChemicalEntity"], "name": "RIPASUDIL", "xref": ["InChIKey:QSKQVZWVLOIIEV-NSHDSACASA-N", "SMILES:C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12"], "synonym": ["Ripasudil", "Ripasudil", "Ripasudil"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38380", "category": ["biolink:ChemicalEntity"], "name": "FASUDIL", "xref": ["InChIKey:NGOGFTYYXHNFQH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc2cnccc12)N1CCCNCC1"], "synonym": ["Fasudil", "Fasudil", "Fasudil", "Fasudil", "AT 877", "AT-877", "HA 1077", "HA-1077", "NSC-759827", "ZK-258594"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2005186", "category": ["biolink:ChemicalEntity"], "name": "BELUMOSUDIL", "xref": ["InChIKey:GKHIVNAUVKXIIY-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1"], "synonym": ["Belumosudil", "Belumosudil", "Belumosudil", "Rock2 inhibitor kd025", "Slx-2119 free base", "KD-025", "KD025", "Belumosudil"], "chembl_availability_type": "prescription only"}
{"name": "Rho-associated protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL2973"], "id": "UniProtKB:O75116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802130", "category": ["biolink:ChemicalEntity"], "name": "BELUMOSUDIL MESYLATE", "xref": ["InChIKey:ILQJXEIRBCHLOM-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1.CS(=O)(=O)O"], "synonym": ["Belumosudil mesylate", "KD-025 MESYLATE", "KD025 mesylate", "Rezurock", "Belumosudil mesylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105749", "category": ["biolink:ChemicalEntity"], "name": "SAMIDORPHAN L-MALATE", "xref": ["InChIKey:RARHXUAUPNYAJF-QSYGGRRVSA-N", "SMILES:NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3.O=C(O)C[C@H](O)C(=O)O"], "synonym": ["Samidorphan l-malate", "Samidorphan malate", "RDC-0313-02", "Samidorphan l-malate component of lybalvi", "Samidorphan l-malate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594417", "category": ["biolink:ChemicalEntity"], "name": "PRUXELUTAMIDE", "xref": ["InChIKey:KCBJGVDOSBKVKP-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCc2ncco2)nc1"], "synonym": ["Pruxelutamide", "Gt-0918", "Gt0918", "Proxalutamide", "Pruxelutamide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297575", "category": ["biolink:ChemicalEntity"], "name": "NIRSEVIMAB", "synonym": ["Nirsevimab", "Nirsevimab", "Nirsevimab", "Nirsevimab-alip", "Nirsevimab", "Medi8897", "Nirsevimab", "MED-18897", "MEDI8897", "Beyfortus", "Nirsevimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1652128", "category": ["biolink:ChemicalEntity"], "name": "LB80380", "xref": ["InChIKey:JLKJXDOWBVVABZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)OCOP(=O)(COC1(Cn2cnc3cnc(N)nc32)CC1)OCOC(=O)C(C)(C)C"], "synonym": ["An-380", "Besifovir dipivoxil", "Lb80380", "Pmcdg dipivoxil", "LB 80380", "LB-80380"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594503", "category": ["biolink:ChemicalEntity"], "name": "TALQUETAMAB", "synonym": ["Talquetamab", "Talquetamab", "Talquetamab", "Talquetamab-tgvs", "Talquetamab", "Talquetamab", "JNJ-63483043", "JNJ-64407564", "Talvey", "Talquetamab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067483", "category": ["biolink:ChemicalEntity"], "name": "COLISTIMETHATE", "synonym": ["Colistimethate", "Colistin methanesulfonic acid", "Colistin sulfomethate", "Colistinmethanesulfonic acid"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594438", "category": ["biolink:ChemicalEntity"], "name": "LENACAPAVIR", "xref": ["InChIKey:BRYXUCLEHAUSDY-WEWMWRJBSA-N", "SMILES:CC(C)(C#Cc1ccc(-c2ccc(Cl)c3c(NS(C)(=O)=O)nn(CC(F)(F)F)c23)c([C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)n1)S(C)(=O)=O"], "synonym": ["Lenacapavir", "Lenacapavir", "Lenacapavir", "GS-6207", "GS-714207", "GS-CA-2", "GS-CA1", "GS-CA2", "GS-HIV", "GS6207", "Lenacapavir"], "chembl_availability_type": "prescription only"}
{"name": "Structural capsid protein", "xref": ["CHEMBL.TARGET:CHEMBL2366504"], "id": "UniProtKB:Q76129", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20883", "category": ["biolink:ChemicalEntity"], "name": "TEGAFUR", "xref": ["InChIKey:WFWLQNSHRPWKFK-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(C2CCCO2)cc1F"], "synonym": ["Tegafur", "Tegafur", "Tegafur", "Tegafur", "Tegafur", "Tegafur", "Atillon", "Coparogin", "Exonal", "Fental", "Franrose", "Ftorafur", "Fulaid", "Fulfeel", "Furafluor", "Furofutran", "Futraful", "Lamar", "Lifril", "Neberk", "Nitobanil", "Sinoflurol", "Sunfural", "Tefsiel c", "Tegafur", "Tegafur-uracil", "Youfuding", "BMS-200604", "FT-207", "J356.722B", "MJF-12264", "NSC-148958", "Citofur", "Riol", "Tegafur component of s-1", "Tegafur component of teysuno", "Tegafur component of ts-1", "Uftoral", "Tegafur"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL25336", "category": ["biolink:ChemicalEntity"], "name": "BISANTRENE", "xref": ["InChIKey:NJSMWLQOCQIOPE-OCHFTUDZSA-N", "SMILES:C(=N/NC1=NCCN1)\\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12"], "synonym": ["Bisantrene", "Bisantreno", "Bisantrene", "Bisantrene"]}
{"name": "Alpha-ketoglutarate-dependent dioxygenase FTO", "xref": ["CHEMBL.TARGET:CHEMBL2331065"], "id": "UniProtKB:Q9C0B1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297887", "category": ["biolink:ChemicalEntity"], "name": "GSK-2586881", "synonym": ["Alunacedase alfa", "Alunacedase alfa", "Apn01", "Gsk-2586881", "Gsk2586881", "APN-01", "APN01", "GSK-2586881"]}
{"name": "Angiotensinogen", "xref": ["CHEMBL.TARGET:CHEMBL3596085"], "id": "UniProtKB:P01019", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650487", "category": ["biolink:ChemicalEntity"], "name": "TORUDOKIMAB", "synonym": ["Torudokimab", "Ly3375880", "Torudokimab", "LY-3375880", "LY3375880"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297594", "category": ["biolink:ChemicalEntity"], "name": "VERDIPERSTAT", "xref": ["InChIKey:FVJCUZCRPIMVLB-UHFFFAOYSA-N", "SMILES:CC(C)OCCn1c(=S)[nH]c(=O)c2[nH]ccc21"], "synonym": ["Verdiperstat", "Azd 3241", "Azd3241", "Verdiperstat", "AZD-3241", "AZD3241", "BHV-3241", "BHV-3421", "Verdiperstat"], "chembl_natural_product": true}
{"name": "Myeloperoxidase", "xref": ["CHEMBL.TARGET:CHEMBL2439"], "id": "UniProtKB:P05164", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267044", "category": ["biolink:ChemicalEntity"], "name": "LEVOSULPIRIDE", "xref": ["InChIKey:BGRJTUBHPOOWDU-NSHDSACASA-N", "SMILES:CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC"], "synonym": ["Levosulpiride", "Levosulpiride", "Levosulpirida", "Sulpiride l-form", "(-)-sulpiride", "L-sulpiride", "Lesuride", "Levobren", "Levopraid", "Levopride", "Levosulpiride", "S-(-)-sulpiride", "Sulpiride, (-)-", "Sulpiride, (s)-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL399510", "category": ["biolink:ChemicalEntity"], "name": "BROMOPRIDE", "xref": ["InChIKey:GIYAQDDTCWHPPL-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC"], "synonym": ["Bromopride", "Bromopride", "Bromoprida", "Bromopride", "Movipride", "NSC-758391"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1257015", "category": ["biolink:ChemicalEntity"], "name": "PICOTAMIDE", "xref": ["InChIKey:KYWCWBXGRWWINE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1"], "synonym": ["Picotamide", "G-137", "NSC-304384"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL52939", "category": ["biolink:ChemicalEntity"], "name": "SARPOGRELATE", "xref": ["InChIKey:FFYNAVGJSYHHFO-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1"], "synonym": ["Sarpogrelate", "Sarpogrelato", "Sarpogrelate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL109831", "category": ["biolink:ChemicalEntity"], "name": "DEXELVUCITABINE", "xref": ["InChIKey:HSBKFSPNDWWPSL-CAHLUQPWSA-N", "SMILES:Nc1nc(=O)n([C@H]2C=C[C@@H](CO)O2)cc1F"], "synonym": ["Dexelvucitabine", "Dexelvucitabina", "Dexelvucitabine", "DPC-817", "INCB-8721", "YZ-817", "Reverset", "Dexelvucitabine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175691", "category": ["biolink:ChemicalEntity"], "name": "RILPIVIRINE", "xref": ["InChIKey:YIBOMRUWOWDFLG-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"], "synonym": ["Rilpivirine", "Rilpivirine", "Rilpivirine", "Rilpivirine", "Rilpivirine", "Rilpivirina", "Rilpivirine", "Rilpivirine", "R 278474", "R-278474", "R278474", "TMC-278", "TMC278", "Edurant", "Rekambys", "Rilpivirine component of cabenuva", "Rilpivirine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3421729", "category": ["biolink:ChemicalEntity"], "name": "MEVIDALEN", "xref": ["InChIKey:XHCSBQBBGNQINS-DOTOQJQBSA-N", "SMILES:C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl"], "synonym": ["Mevidalen", "Ly3154207", "Mevidalen", "LY-3154207", "LY3154207", "Mevidalen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105890", "category": ["biolink:ChemicalEntity"], "name": "MITEMCINAL FUMARATE", "xref": ["InChIKey:IDLXWTNPDREJQZ-HSOMBQIOSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC.O=C(O)/C=C/C(=O)O"], "synonym": ["Mitemcinal fumarate", "115-8543 JAPAN", "115-8543-JAPAN", "5-1 UKIMA 5 CHOME", "5-1-UKIMA-5-CHOME", "GM-611", "KITA-KU TOYKO", "Mitemcinal fumarate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594554", "category": ["biolink:ChemicalEntity"], "name": "TAFOLECIMAB", "synonym": ["Tafolecimab", "Ibi306", "Tafolecimab", "IBI-306", "IBI306"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165615", "category": ["biolink:ChemicalEntity"], "name": "NERIGLIATIN", "xref": ["InChIKey:MASKQITXHVYVFL-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cc(C)oc3c2)cn1"], "synonym": ["Nerigliatin", "Nerigliatine", "Nerigliatina", "Nerigliatin", "Pf-04937319", "PF-04937319"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956285", "category": ["biolink:ChemicalEntity"], "name": "DSM-265", "xref": ["InChIKey:OIZSVTOIBNSVOS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(C)(F)F)nc2n1"], "synonym": ["Dsm-265", "Dsm265", "DSM265"]}
{"name": "Dihydroorotate dehydrogenase", "synonym": ["Dihydroorotate dehydrogenase (quinone), mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL3486"], "id": "UniProtKB:Q54A96", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457723", "category": ["biolink:ChemicalEntity"], "name": "BMS-741672", "xref": ["InChIKey:PJTGSIKANITYOO-RCOXNQKVSA-N", "SMILES:CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1"], "synonym": ["Bms-741672", "Bms741672", "BMS 741672"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101487", "category": ["biolink:ChemicalEntity"], "name": "GALICAFTOR", "xref": ["InChIKey:QVDYQHXNAQHIKH-TZIWHRDSSA-N", "SMILES:O=C(O)c1ccc([C@H]2C[C@@H](NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c3ccc(OC(F)F)cc3O2)cc1"], "synonym": ["Galicaftor", "Galicaftor", "Glpg2222", "ABBV-2222", "GLPG-2222", "GLPG2222", "Galicaftor"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3669417", "category": ["biolink:ChemicalEntity"], "name": "BI-187004", "xref": ["InChIKey:VVZNCSHIBODHMZ-UZLBHIALSA-N", "SMILES:N#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2"], "synonym": ["Bi 187004", "Bi-187004"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297457", "category": ["biolink:ChemicalEntity"], "name": "BMS-823778", "xref": ["InChIKey:MQBBSMNIRWXALO-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.Cl"], "synonym": ["Bms-823778", "BMS-823778"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594611", "category": ["biolink:ChemicalEntity"], "name": "PATRITUMAB DERUXTECAN", "synonym": ["Patritumab deruxtecan", "Patritumab deruxtecan", "Patritumab deruxtecan", "U3 1402", "U3-1402", "U3 1402", "U3-1402", "U3-1402A", "U31402", "Patritumab deruxtecan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519846", "category": ["biolink:ChemicalEntity"], "name": "RO-0622", "xref": ["InChIKey:KTOLOIKYVCHRJW-XZMZPDFPSA-N", "SMILES:[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1O"], "synonym": ["Azvudine", "Ro-0622", "RO 0622"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297968", "category": ["biolink:ChemicalEntity"], "name": "GSK-3174998", "synonym": ["Gsk 3174998", "Gsk-3174998", "Gsk3174998", "GSK-3174998", "GSK3174998"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594316", "category": ["biolink:ChemicalEntity"], "name": "CROVALIMAB", "synonym": ["Crovalimab", "Crovalimab", "Crovalimab-akkz", "Crovalimab", "Crovalimab", "Crovalimab-akkz", "Piasky", "Ro7112689", "RG-6107", "RG6107", "RO-7112689", "RO7112689", "SKY-59", "SKY59", "Piasky", "Crovalimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989943", "category": ["biolink:ChemicalEntity"], "name": "DAPANSUTRILE", "xref": ["InChIKey:LQFRYKBDZNPJSW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCC#N"], "synonym": ["Dapansutrile", "Dapansutrilo", "Dapansutrile", "OLT-1177", "OLT1177", "Dapansutrile"]}
{"name": "NACHT, LRR and PYD domains-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL1741208"], "id": "UniProtKB:Q96P20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573352", "category": ["biolink:ChemicalEntity"], "name": "TAS-106", "xref": ["InChIKey:JFIWEPHGRUDAJN-DYUFWOLASA-N", "SMILES:C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O"], "synonym": ["2'-c-ethynylcytidine", "3'-c-ethynylcytidine", "Tas 106", "Tas-106"], "chembl_natural_product": true}
{"name": "DNA-directed RNA polymerase I subunit RPA1", "xref": ["CHEMBL.TARGET:CHEMBL3286067"], "id": "UniProtKB:O95602", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297661", "category": ["biolink:ChemicalEntity"], "name": "TARLOXOTINIB", "xref": ["InChIKey:MUJMYVFVAWFUJL-SNAWJCMRSA-O", "SMILES:Cn1cnc([N+](=O)[O-])c1C[N+](C)(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(Cl)c(Br)c3)ncnc2cn1"], "synonym": ["Tarloxotinib", "Tarloxotinib cation", "Tarloxotinib ion"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297993", "category": ["biolink:ChemicalEntity"], "name": "EMD-1201081", "synonym": ["Emd-1201081", "Imo-2055", "Imoxine", "HYB-2055", "IMO-2055"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262777", "category": ["biolink:ChemicalEntity"], "name": "VANCOMYCIN", "xref": ["InChIKey:MYPYJXKWCTUITO-LYRMYLQWSA-N", "SMILES:CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O"], "synonym": ["Vancomycin", "Vancomycin", "Vancomycin", "Vancomycine", "Vancomicina", "Vancomycin", "Vancomycin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650349", "category": ["biolink:ChemicalEntity"], "name": "CHIGLITAZAR", "xref": ["InChIKey:QNLWMPLUWMWDMQ-YTTGMZPUSA-N", "SMILES:O=C(c1ccc(F)cc1)c1ccccc1N[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O"], "synonym": ["Carfloglitazar, (s)-", "Chiglitazar", "CS 038", "CS-038"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297686", "category": ["biolink:ChemicalEntity"], "name": "IZOKIBEP", "synonym": ["Izokibep", "Aby-035", "Aby-035/afo2", "Aby035", "Izokibep", "ABY-035", "IMG-020", "Izokibep"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989966", "category": ["biolink:ChemicalEntity"], "name": "CONTEZOLID ACEFOSAMIL", "xref": ["InChIKey:JANNTEAGZXJITO-BTQNPOSSSA-M", "SMILES:CC(=O)OP(=O)([O-])N(C[C@H]1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1)c1ccon1.[Na+]"], "synonym": ["Contezolid acefosamil", "MRX-4 SODIUM", "Contezolid acefosamil"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594350", "category": ["biolink:ChemicalEntity"], "name": "ADAGRASIB", "xref": ["InChIKey:PEMUGDMSUDYLHU-ZEQRLZLVSA-N", "SMILES:C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N"], "synonym": ["Adagrasib", "Adagrasib", "Adagrasib", "Adagrasib", "Adagrasib", "Kras g12c inhibitor mrtx849", "Krazati", "Mrtx-849", "Mrtx849", "MRTX-849", "MRTX849", "Krazati", "Adagrasib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL447629", "category": ["biolink:ChemicalEntity"], "name": "MITOBRONITOL", "xref": ["InChIKey:VFKZTMPDYBFSTM-KVTDHHQDSA-N", "SMILES:O[C@@H]([C@H](O)[C@H](O)CBr)[C@H](O)CBr"], "synonym": ["Mitobronitol", "Mitobronitol", "Mitobronitol", "Dibromomannitol", "Myebrol", "NSC-94100", "Myelobromol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL529437", "category": ["biolink:ChemicalEntity"], "name": "COCAINE HYDROCHLORIDE", "xref": ["InChIKey:PIQVDUKEQYOJNR-VZXSFKIWSA-N", "SMILES:COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C.Cl"], "synonym": ["Cocaine hydrochloride", "Cocaine hydrochloride", "Cocaine hydrochloride", "Cocaine hcl", "Cocaine hydrochloride", "Cocaine muriate", "Cocainum muriaticum", "MCV 4526", "NIH 8211", "NSC-25263", "RX-0041-002", "Goprelto", "Numbrino", "Cocaine hydrochloride cii"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298004", "category": ["biolink:ChemicalEntity"], "name": "VOPRATELIMAB", "synonym": ["Vopratelimab", "Anti-icos agonist mab jtx-2011", "Jtx 2011", "Jtx-2011", "Vopratelimab", "JTX-2011", "Vopratelimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594578", "category": ["biolink:ChemicalEntity"], "name": "TEBOTELIMAB", "synonym": ["Tebotelimab", "Mgd 013", "Mgd-013", "Mgd013", "Mgd013 (pd-1 x lag-3)", "Tebotelimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284483", "category": ["biolink:ChemicalEntity"], "name": "COFORMYCIN", "xref": ["InChIKey:YOOVTUPUBVHMPG-LODYRLCVSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C@@H]1O"], "synonym": ["Coformycin", "NSC-277817"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1614652", "category": ["biolink:ChemicalEntity"], "name": "REPINOTAN", "xref": ["InChIKey:YGYBFMRFXNDIPO-QGZVFWFLSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCNC[C@H]1CCc2ccccc2O1"], "synonym": ["Repinotan", "Repinotan", "Repinotan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL232202", "category": ["biolink:ChemicalEntity"], "name": "ARBUTIN", "xref": ["InChIKey:BJRNKVDFDLYUGJ-RMPHRYRLSA-N", "SMILES:OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Arbutin", "Arbutin", "Arbutinum", "Arbutoside", "Ursin", "NSC-4036"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1254025", "category": ["biolink:ChemicalEntity"], "name": "NOLASIBAN", "xref": ["InChIKey:OLUJSZLBWZWGJT-HGBKYHTQSA-N", "SMILES:CO/N=C1/C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1"], "synonym": ["Nolasiban", "Erlosiban", "Nolasiban", "Obe001", "OBE-001"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165620", "category": ["biolink:ChemicalEntity"], "name": "PF-04991532", "xref": ["InChIKey:GKMLFBRLRVQVJO-ZDUSSCGKSA-N", "SMILES:O=C(O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1"], "synonym": ["Pf-04991532"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828074", "category": ["biolink:ChemicalEntity"], "name": "ZIRITAXESTAT", "xref": ["InChIKey:REQQVBGILUTQNN-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"], "synonym": ["Ziritaxestat", "Ziritaxestatn", "Glpg1690", "Ziritaxestat", "G-451990", "G451990", "GLPG-1690", "GLPG1690", "Ziritaxestat"]}
{"name": "Autotaxin", "xref": ["CHEMBL.TARGET:CHEMBL3691"], "id": "UniProtKB:Q13822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297839", "category": ["biolink:ChemicalEntity"], "name": "TIRZEPATIDE", "synonym": ["Tirzepatide", "Tirzepatide", "Tirzepatide", "Tirzepatide", "Tirzepatida", "Ly3298176", "Mounjaro", "Tirzepatide", "Zepbound", "BG-121", "LY-3298176", "LY3298176", "Mounjaro", "Mounjaro (autoinjector)", "Zepbound", "Zepbound (autoinjector)", "Tirzepatide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Gastric inhibitory polypeptide receptor", "xref": ["CHEMBL.TARGET:CHEMBL4383"], "id": "UniProtKB:P48546", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88712", "category": ["biolink:ChemicalEntity"], "name": "VELIFLAPON", "xref": ["InChIKey:ZEYYDOLCHFETHQ-JOCHJYFZSA-N", "SMILES:O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1"], "synonym": ["Veliflapon", "Veliflapon", "BAY X 1005", "BAY X-1005", "BAY-X-005", "BAY-X-1005", "DG-031", "Veliflapon"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297604", "category": ["biolink:ChemicalEntity"], "name": "ACEBILUSTAT", "xref": ["InChIKey:GERJIEKMNDGSCS-DQEYMECFSA-N", "SMILES:O=C(O)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(Oc3ccc(-c4ncco4)cc3)cc2)cc1"], "synonym": ["Acebilustat", "Acebilustat", "Ctx-4430", "CTX-4430", "EP-501"]}
{"name": "Leukotriene A-4 hydrolase", "xref": ["CHEMBL.TARGET:CHEMBL4618"], "id": "UniProtKB:P09960", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563522", "category": ["biolink:ChemicalEntity"], "name": "FE 203799", "xref": ["InChIKey:AVYLMJODKHVQHD-WFOXQDBGSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O"], "synonym": ["Fe 203799"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297846", "category": ["biolink:ChemicalEntity"], "name": "SEMZUVOLIMAB", "synonym": ["Semzuvolimab", "Semzuvolimab", "Semzuvolimab", "Db4c7 mab", "Mab db4c7", "Semzuvolimab", "Ub-421", "UB-421", "UB-421 (DB4C7 MAB)", "UB421"]}
{"name": "GMP synthase [glutamine-hydrolyzing]", "xref": ["CHEMBL.TARGET:CHEMBL5721"], "id": "UniProtKB:P49915", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297721", "category": ["biolink:ChemicalEntity"], "name": "CDX-1140", "synonym": ["Cdx 1140", "Cdx-1140", "CDX-1140", "CDX1140"]}
{"name": "DNA-directed RNA polymerase II subunit RPB1", "xref": ["CHEMBL.TARGET:CHEMBL1641353"], "id": "UniProtKB:P24928", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104386", "category": ["biolink:ChemicalEntity"], "name": "CARPERITIDE", "xref": ["InChIKey:NSQLIUXCMFBZME-MPVJKSABSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O"], "synonym": ["Carperitide", "Carperitida", "Carperitide", "Atrial natriuretic peptide", "Atrial natriuretic peptide carperitide", "Atrial natriuretic peptide", "Carperitide", "SUN 4936", "SUN-4936", "Hanp", "Carperitide"]}
{"id": "CHEMBL.TARGET:CHEMBL2111337", "category": ["biolink:ProteinFamily"], "name": "Atrial natriuretic peptide receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650434", "category": ["biolink:ChemicalEntity"], "name": "ENIBARCIMAB", "synonym": ["Enibarcimab", "Adrecizumab", "Enibarcimab", "HAM-8101", "HAM8101"]}
{"name": "Pro-adrenomedullin", "xref": ["CHEMBL.TARGET:CHEMBL2062356"], "id": "UniProtKB:P35318", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594454", "category": ["biolink:ChemicalEntity"], "name": "RIPASUDIL HYDROCHLORIDE DIHYDRATE", "xref": ["InChIKey:CMDJNMACGABCKQ-XVSRHIFFSA-N", "SMILES:C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12.Cl.O.O"], "synonym": ["Ripasudil hydrochloride hydrate", "Ripasudil hydrochloride dihydrate", "Glanatec", "Ripasudil hydrochloride dihydrate", "Ripasudil hydrochloride hydrate", "K-115", "K-115-R"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88055", "category": ["biolink:ChemicalEntity"], "name": "RIMITEROL", "xref": ["InChIKey:IYMMESGOJVNCKV-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(O)C2CCCCN2)cc1O"], "synonym": ["Rimiterol", "Rimiterol", "Rimiterol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107546", "category": ["biolink:ChemicalEntity"], "name": "BUCINDOLOL HYDROCHLORIDE", "xref": ["InChIKey:NCEAPFRHADKEHP-UHFFFAOYSA-N", "SMILES:CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N.Cl"], "synonym": ["Bucindolol hydrochloride", "Bucindolol hcl", "Bucindolol hydrochloride", "Gencaro", "MJ 13,105-1", "MJ-13105-1", "Bucindolol hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107763", "category": ["biolink:ChemicalEntity"], "name": "ODIPARCIL", "xref": ["InChIKey:JRHNIQQUVJOPQC-AQNFWKISSA-N", "SMILES:Cc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12"], "synonym": ["Odiparcil", "Odiparcilo", "Odiparcil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4650483", "category": ["biolink:ChemicalEntity"], "name": "ERFONRILIMAB", "synonym": ["Erfonrilimab", "Erfonrilimab", "Kn 046", "Kn046", "KN-046", "KN046"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650343", "category": ["biolink:ChemicalEntity"], "name": "IZENCITINIB", "xref": ["InChIKey:DADAEARVGOQWHV-OSYLJGHBSA-N", "SMILES:Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCC#N)n2)n[nH]1"], "synonym": ["Izencitinib", "Izencitinib", "Td-1473", "TD-1473", "TD1473", "Izencitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297748", "category": ["biolink:ChemicalEntity"], "name": "ONVITRELIN UCALONTIDE", "synonym": ["Onvitrelin ucalontide", "Ucalolictide", "Onvitreline ucalontide", "Onvitrelina ucalontida", "Ep 100", "Ep-100", "Onvitrelin ucalontide", "Ucalolictide", "EP-100", "EP-100 (PEPTIDE)", "EP100"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650395", "category": ["biolink:ChemicalEntity"], "name": "GLENZOCIMAB", "synonym": ["Glenzocimab", "Glenzocimab", "ACT-017", "ACT017", "Glenzocimab"]}
{"name": "Platelet glycoprotein VI", "xref": ["CHEMBL.TARGET:CHEMBL3308912"], "id": "UniProtKB:Q9HCN6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137691", "category": ["biolink:ChemicalEntity"], "name": "QUINUPRISTIN/DALFOPRISTIN", "xref": ["InChIKey:PPKJUHVNTMYXOD-PZGPJMECSA-N", "SMILES:CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12.CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O"], "synonym": ["Quinupristin/dalfopristin", "Quinupristin/dalfopristin", "Quinupristin/dalfopristin", "Synercid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297788", "category": ["biolink:ChemicalEntity"], "name": "MOSUNETUZUMAB", "synonym": ["Mosunetuzumab", "Mosunetuzumab", "Mosunetuzumab", "Mosunetuzumab-axgb", "Mosunetuzumab", "Mosunetuzumab", "Mosunetuzumab axgb", "Mosunetuzumab-axgb", "BTCT-4465A", "BTCT4465A", "RG-7828", "RG-7828 (ANTI-CD20 & CD3)", "RG7828", "RO-7030816", "RO7030816", "Lunsumio", "Mosunetuzumab"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL460287", "category": ["biolink:ChemicalEntity"], "name": "ETOGLUCID", "xref": ["InChIKey:UMILHIMHKXVDGH-UHFFFAOYSA-N", "SMILES:C(COCCOCC1CO1)OCCOCC1CO1"], "synonym": ["Etoglucid", "Etoglucid", "Etoglucid", "Etoglucide", "Etoglucido", "ICI 32865", "ICI-32865", "NSC-80439", "Epodyl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12948", "category": ["biolink:ChemicalEntity"], "name": "SEMUSTINE", "xref": ["InChIKey:FVLVBPDQNARYJU-UHFFFAOYSA-N", "SMILES:CC1CCC(NC(=O)N(CCCl)N=O)CC1"], "synonym": ["Semustine", "Semustine", "Semustina", "Methyl lomustine", "Semustine", "ICIG 1110", "ICIG-1110", "METHYL-CCNU", "NSC-758471", "Semustine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3039544", "category": ["biolink:ChemicalEntity"], "name": "TECEMOTIDE", "synonym": ["Tecemotide", "Tecemotida", "Blp 25", "Blp-25 lipopeptide", "Blp25 lipopeptide", "Tecemotide", "BLP-25", "BLP25", "BP-1-148", "EMD 531444", "LIPOPEPTIDE BLP-25", "Stimuvax", "Emepepimut-s", "Tecemotide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203321", "category": ["biolink:ChemicalEntity"], "name": "BRINCIDOFOVIR", "xref": ["InChIKey:WXJFKKQWPMNTIM-VWLOTQADSA-N", "SMILES:CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O"], "synonym": ["Brincidofovir", "Brincidofovir", "Brincidofovir", "Brincidofovir", "Hdp-cidofovir", "Hexadecyloxypropyl cidofovir", "Hexadecyloxypropyl-cidofovir", "CMX 001", "CMX-001", "CMX001", "Tembexa", "Brincidofovir"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "DNA polymerase", "xref": ["CHEMBL.TARGET:CHEMBL3988586"], "id": "UniProtKB:P06856", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10254"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297348", "category": ["biolink:ChemicalEntity"], "name": "BRIMAPITIDE, C-TERMINAL ACID", "xref": ["InChIKey:HRMVIAFZYCCHGF-BMCUWHFPSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(=O)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)O)[C@H](C)O)[C@H](C)O"], "synonym": ["Am-111", "Brimapitide, c-terminal acid", "D-jnki-1", "Xg-102 c-terminal acid", "AM-111"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17879", "category": ["biolink:ChemicalEntity"], "name": "MARALIXIBAT CHLORIDE", "xref": ["InChIKey:POMVPJBWDDJCMP-RUKDTIIFSA-M", "SMILES:CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)[C@H]1O.[Cl-]"], "synonym": ["Maralixibat chloride", "Maralixibat chloride", "Maralixibat chloride", "Maralixibat chloride", "Chlorure de maralixibat", "Cloruro de maralixibat", "Lopixibat chloride", "Maralixibat chloride", "LUM-001", "LUM001", "Livmarli", "Maralixibat chloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297452", "category": ["biolink:ChemicalEntity"], "name": "YM-543", "xref": ["InChIKey:UKOOBSDARBTSHN-NGOMLPPMSA-M", "SMILES:C[N+](C)(C)CCO.[O-]c1ccc(Cc2cc3cccccc-3c2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "synonym": ["Ym-543", "Ym543", "ASP-543", "YM 543", "YM543"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435170", "category": ["biolink:ChemicalEntity"], "name": "DEUCRAVACITINIB", "xref": ["InChIKey:BZZKEPGENYLQSC-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC"], "synonym": ["Deucravacitinib", "Deucravacitinib", "Deucravacitinib", "Deucravacitinib", "Bms-986165", "Deucravacitinib", "BMS-986165", "Sotyktu", "Deucravacitinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297649", "category": ["biolink:ChemicalEntity"], "name": "OLACAFTOR", "xref": ["InChIKey:NHOUNZMCSIHKHJ-FQEVSTJZSA-N", "SMILES:CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)c1"], "synonym": ["Olacaftor", "Olacaftor", "Vx-440", "VX-440", "Olacaftor"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911882", "category": ["biolink:ChemicalEntity"], "name": "KD7040", "xref": ["InChIKey:ZJFFPGMGWOEQLF-UHFFFAOYSA-N", "SMILES:CN(CCCNCc1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1"], "synonym": ["Kd7040"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989948", "category": ["biolink:ChemicalEntity"], "name": "LANABECESTAT", "xref": ["InChIKey:WKDNQONLGXOZRG-HRNNMHKYSA-N", "SMILES:CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)[C@]2(CC[C@H](OC)CC2)C3)c1"], "synonym": ["Lanabecestat", "Lanabecestat", "AZD-3293", "AZD3293", "LY-3314814", "LY3314814", "Lanabecestat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650321", "category": ["biolink:ChemicalEntity"], "name": "ORELABRUTINIB", "xref": ["InChIKey:MZPVEMOYADUARK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1"], "synonym": ["Orelabrutinib", "Orelabrutinib", "Icp-022", "Orelabrutinib", "ICP-022", "ICP022", "Innobruka", "Orelabrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2160007", "category": ["biolink:ChemicalEntity"], "name": "PSI-352938", "xref": ["InChIKey:PVRFQJIRERYGTQ-UYISCHNFSA-N", "SMILES:CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(OC(C)C)O[C@H]2[C@@]1(C)F"], "synonym": ["Gs-0938", "Psi-352938", "GS-0938", "GS0938", "PSI-352938", "PSI-938", "PSI352938", "PSI938"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1957287", "category": ["biolink:ChemicalEntity"], "name": "TEGOBUVIR", "xref": ["InChIKey:XBEQSQDCBSKCHJ-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1"], "synonym": ["Tegobuvir", "Tegobuvir", "GS-333126", "GS-9190", "Tegobuvir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577294", "category": ["biolink:ChemicalEntity"], "name": "2-HYDROXYPROPYL-BETA-CYCLODEXTRIN", "xref": ["InChIKey:ODLHGICHYURWBS-LKONHMLTSA-N", "SMILES:CC(O)COC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8COCC(C)O)O[C@@H]7COCC(C)O)O[C@@H]6COCC(C)O)O[C@@H]5COCC(C)O)O[C@@H]4COCC(C)O)O[C@@H]3COCC(C)O"], "synonym": ["Hydroxypropyl betadex", "2-hydroxypropyl-beta-cyclodextrin", "Hpbcd", "Hydroxyl-propyl-beta-cyclodextrin", "Hydroxypropyl .beta.-cyclodextrin", "Hydroxypropyl bcd", "Hydroxypropyl betacyclodextrin", "Hydroxypropyl-bcyclodextrin", "Hydroxypropylbetadex", "Hydroxypropyl betadex"]}
{"id": "CHEMBL.TARGET:CHEMBL4651303", "category": ["biolink:MolecularEntity"], "name": "Cholesterol"}
{"id": "CHEMBL.COMPOUND:CHEMBL1076903", "category": ["biolink:ChemicalEntity"], "name": "VARENICLINE", "xref": ["InChIKey:JQSHBVHOMNKWFT-DTORHVGOSA-N", "SMILES:c1cnc2cc3c(cc2n1)[C@@H]1CNC[C@H]3C1"], "synonym": ["Varenicline", "Varenicline", "Vareniclina", "Varenicline", "Varenicline", "CP-526,555", "CP-526555"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL10316", "category": ["biolink:ChemicalEntity"], "name": "IDAZOXAN", "xref": ["InChIKey:HPMRFMKYPGXPEP-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)OCC(C1=NCCN1)O2"], "synonym": ["Idazoxan", "Idazoxano", "Idazoxan", "Dl-idazoxan", "Idazoxan", "Racemic idazoxan", "NSC-759867", "RX-781094"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL451930", "category": ["biolink:ChemicalEntity"], "name": "PLITIDEPSIN", "xref": ["InChIKey:UUSZLLQJYRSZIS-LXNNNBEUSA-N", "SMILES:CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)=O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O"], "synonym": ["Plitidepsin", "Plitidepsin", "Plitidepsine", "Plitidepsina", "Aplidine", "Plitidepsin", "Plitidepsin"], "chembl_natural_product": true}
{"name": "Elongation factor 1-alpha 2", "xref": ["CHEMBL.TARGET:CHEMBL1795122"], "id": "UniProtKB:Q05639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297427", "category": ["biolink:ChemicalEntity"], "name": "SCH-486757", "xref": ["InChIKey:MQWMHMZNBGQNMT-XHNJZIHCSA-N", "SMILES:O[C@]1(c2ncccn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl"], "synonym": ["Sch 486757", "Sch-486757", "SCH 486757", "SCH486757"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3707359", "category": ["biolink:ChemicalEntity"], "name": "DAXIBOTULINUMTOXINA", "synonym": ["Daxibotulinumtoxina", "Daxibotulinumtoxina-lanm", "Daxibotulinumtoxina", "RTI-150", "RTI150", "RTT150", "Daxxify", "Daxibotulinumtoxina"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297876", "category": ["biolink:ChemicalEntity"], "name": "ZALIFRELIMAB", "synonym": ["Zalifrelimab", "Agen-1884", "Agen1884", "Ugn-301", "Zalifrelimab", "AGEN1884", "Zalifrelimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279047", "category": ["biolink:ChemicalEntity"], "name": "VORASIDENIB", "xref": ["InChIKey:QCZAWDGAVJMPTA-RNFRBKRXSA-N", "SMILES:C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F"], "synonym": ["Vorasidenib", "Vorasidenib", "Vorasidenib", "Ag-881", "Vorasidenib", "AG-881", "Voranigo", "Vorasidenib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4523659", "category": ["biolink:ProteinFamily"], "name": "IDH1/IDH2"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298134", "category": ["biolink:ChemicalEntity"], "name": "OBEXELIMAB", "synonym": ["Obexelimab", "Obexelimab", "Xmab5871", "XMAB-5871", "XMAB5871", "Obexelimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1410", "category": ["biolink:ChemicalEntity"], "name": "NONOXYNOL 9", "xref": ["InChIKey:FBWNMEQMRUMQSO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1"], "synonym": ["Nonoxinol 9", "Nonoxynol-9", "Nonoxinol 9", "Col-1492", "Igepal co-630", "Nonoxinol 9", "Nonoxinolum 9", "Nonoxynol 9", "Nonoxynol-9.5", "Nonylphenoxypolyethoxyethanol", "Norfox np-9", "Peg-9 nonyl phenyl ether", "Tergitol np-9", "NSC-758941", "C-film", "Delfen", "Double check", "Duragel", "Emko", "Gygel", "Gynol 11", "Ortho-creme", "Ortho-forms", "Prelude", "Today", "Nonoxynol 9", "Nonoxynol 9"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL453514", "category": ["biolink:ChemicalEntity"], "name": "SPIRAMYCIN", "xref": ["InChIKey:ACTOXUHEUCPTEW-CEUOBAOPSA-N", "SMILES:CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O"], "synonym": ["Spiramycin", "Spiramycin", "Spiramycin", "Spiramycin", "Spiramycine", "Espiramicina", "Acetylspiramycin", "Spiramycin", "Spiramycin", "Rovamicina", "Rovamycine", "Selectomycin", "Spiramycin", "Spiramycin i", "IL 5902", "IL-5902", "NSC-55926", "NSC-64393", "NSC-758472", "RP 5337", "RP-5337", "Rovamycin", "Rovamycine 250", "Spiramycin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989751", "category": ["biolink:ChemicalEntity"], "name": "NEOMYCIN", "synonym": ["Neomycin", "Neomycin", "Neomycin", "Neomycine", "Neomicina", "Neomycin", "Fradiomycin", "Kaomycine", "Neolate", "Neomas", "Neomin", "Neomycin", "Pimavecort", "Vonamycin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297821", "category": ["biolink:ChemicalEntity"], "name": "RSLV-132", "synonym": ["Rslv 132", "Rslv-132", "RSLV132"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297801", "category": ["biolink:ChemicalEntity"], "name": "PEGUNIGALSIDASE ALFA", "synonym": ["Pegunigalsidase alfa", "Pegunigalsidase alfa", "Pegunigalsidase alfa", "Pegunigalsidase alfa-iwxj", "Pegunigalsidase alfa", "Pegunigalsidasa alfa", "Elfabrio", "Pegunigalsidase alfa", "Pegunigalsidase alfa-iwxj", "Prx-102", "PRX-102", "Elfabrio", "Pegunigalsidase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297864", "category": ["biolink:ChemicalEntity"], "name": "CENDAKIMAB", "synonym": ["Cendakimab", "Abt-308", "Cendakimab", "ABT-308", "CC-93538", "RPC-4046", "Cendakimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108722", "category": ["biolink:ChemicalEntity"], "name": "PEGADRICASE", "synonym": ["Pegadricase", "Pegadricasa", "Pegadricase", "Pegsiticase", "Sel-037", "SEL-037", "URICASE-PEG 20", "URICASE-PEG-20", "URICASE-PEG20", "Pegadricase component of sel-212", "Pegadricase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297688", "category": ["biolink:ChemicalEntity"], "name": "ADU-S100", "synonym": ["Adu s100", "Adu-s100", "Miw815", "ADU-S100", "CDN AGONIST ADU-S100", "MIW815", "MW-815"]}
{"name": "Stimulator of interferon genes protein", "xref": ["CHEMBL.TARGET:CHEMBL4523377"], "id": "UniProtKB:Q86WV6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297894", "category": ["biolink:ChemicalEntity"], "name": "ASP-8374", "synonym": ["Asp 8374", "Asp-8374", "Asp8374", "ASP-8374", "ASP8374", "PTZ-201"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650392", "category": ["biolink:ChemicalEntity"], "name": "DOMVANALIMAB", "synonym": ["Domvanalimab", "Ab154", "Domvanalimab", "AB-154", "AB154", "Domvanalimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2218861", "category": ["biolink:ChemicalEntity"], "name": "QUINAGOLIDE", "xref": ["InChIKey:GDFGTRDCCWFXTG-UHFFFAOYSA-N", "SMILES:CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21"], "synonym": ["Quinagolide", "Quinagolide", "Quinagolida", "Quinagolide", "Quinagolide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1267", "category": ["biolink:ChemicalEntity"], "name": "LERIGLITAZONE", "xref": ["InChIKey:OXVFDZYQLGRLCD-UHFFFAOYSA-N", "SMILES:CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1"], "synonym": ["Leriglitazone", "Leriglitazone", "Leriglitazona", "Hydroxypioglitazone", "Leriglitazone", "Min-102", "MIN-102", "Leriglitazone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL184999", "category": ["biolink:ChemicalEntity"], "name": "AL-12182", "xref": ["InChIKey:SGNMBLPAWMQIHK-LYTYUWFYSA-N", "SMILES:CC(C)OC(=O)CCC/C=C\\CC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1"], "synonym": ["Al-12182"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3746388", "category": ["biolink:ChemicalEntity"], "name": "TERN-101", "xref": ["InChIKey:RPVDFHPBGBMWID-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21"], "synonym": ["Tern-101", "LY-2562175", "LY2562175", "TERN-101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650316", "category": ["biolink:ChemicalEntity"], "name": "GIREDESTRANT", "xref": ["InChIKey:GQCXHIKRWBIQMD-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO"], "synonym": ["Giredestrant", "Gdc-9545", "Giredestrant", "GDC-9545", "RO-7197597", "RO7197597", "Giredestrant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104969", "category": ["biolink:ChemicalEntity"], "name": "GIRIPLADIB", "xref": ["InChIKey:NHHBNHIPCSPSHQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccccc3C(F)(F)F)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1"], "synonym": ["Giripladib", "Giripladib", "PLA-695", "Giripladib"]}
{"name": "Cytosolic phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL3816"], "id": "UniProtKB:P47712", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297302", "category": ["biolink:ChemicalEntity"], "name": "MK-0941", "xref": ["InChIKey:PIDNRTWDGDJKSQ-UQKRIMTDSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)CO)cc(C(=O)Nc3ccn(C)n3)c2)cn1.CS(=O)(=O)O"], "synonym": ["Mk-0941", "Mk0941", "MK0941"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8030", "category": ["biolink:ChemicalEntity"], "name": "TOLIMIDONE", "xref": ["InChIKey:HJQILFPVRNHTIG-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2cnc(=O)[nH]c2)c1"], "synonym": ["Tolimidone", "Tolimidona", "Mlr-1023", "Tolimidone", "CP-26,154", "CP-26154", "MLR-1023", "NSC-314335", "Tolimidone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029422", "category": ["biolink:ChemicalEntity"], "name": "PF-4136309", "xref": ["InChIKey:ZNSVOHSYDRPBGI-LXWOLXCRSA-N", "SMILES:O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1"], "synonym": ["Pf-04136309", "Pf-4136309", "INCB-8761", "INCB8761", "PF-04136309", "PF-4136309"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738699", "category": ["biolink:ChemicalEntity"], "name": "N6022", "xref": ["InChIKey:YVPGZQLRPAGKLA-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1"], "synonym": ["N-6022", "N6022", "N6022"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297333", "category": ["biolink:ChemicalEntity"], "name": "VB-201", "xref": ["InChIKey:JGGNOCUEWOGWPL-MUUNZHRXSA-N", "SMILES:CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)O"], "synonym": ["Vb 201", "Vb-201"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650485", "category": ["biolink:ChemicalEntity"], "name": "PIRTOBRUTINIB", "xref": ["InChIKey:FWZAWAUZXYCBKZ-NSHDSACASA-N", "SMILES:COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1"], "synonym": ["Pirtobrutinib", "Pirtobrutinib", "Pirtobrutinib", "Pirtobrutinib", "Jaypirca", "Loxo-305", "Pirtobrutinib", "LOXO-305", "LY-3527727", "LY3527727", "RXC-005", "Jaypirca", "Pirtobrutinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2043025", "category": ["biolink:ChemicalEntity"], "name": "TMC-647055", "xref": ["InChIKey:UOBYJVFBFSLCTQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)C(=O)NS(=O)(=O)N(C)CCOCCN(C)C1=O"], "synonym": ["Tmc-647055", "TMC647055"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL393820", "category": ["biolink:ChemicalEntity"], "name": "VALOPICITABINE", "xref": ["InChIKey:TVRCRTJYMVTEFS-ICGCPXGVSA-N", "SMILES:CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@]1(C)O"], "synonym": ["Valopicitabine", "Valopicitabina", "Valopicitabine", "NM-283"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3646118", "category": ["biolink:ChemicalEntity"], "name": "MOLIDUSTAT", "xref": ["InChIKey:IJMBOKOTALXLKS-UHFFFAOYSA-N", "SMILES:O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1"], "synonym": ["Molidustat", "Molidustat", "BAY 85-3934", "BAY-85-3934", "Molidustat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594310", "category": ["biolink:ChemicalEntity"], "name": "NIPOCALIMAB", "synonym": ["Nipocalimab", "Nipocalimab", "JNJ-80202135", "M-281", "M281", "Nipocalimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650514", "category": ["biolink:ChemicalEntity"], "name": "BATOCLIMAB", "synonym": ["Batoclimab", "Batoclimab", "Rvt-1401", "HBM-9161", "HBM9161", "HL161BKN", "RVT-1401", "RVT1401", "Batoclimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60889", "category": ["biolink:ChemicalEntity"], "name": "MOSAPRIDE", "xref": ["InChIKey:YPELFRMCRYSPKZ-UHFFFAOYSA-N", "SMILES:CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1"], "synonym": ["Mosapride", "Mosapride", "Mosaprida", "Mosapride", "Mosapride", "Mosart"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297883", "category": ["biolink:ChemicalEntity"], "name": "IVUXOLIMAB", "synonym": ["Ivuxolimab", "Anti-ox40 antibody pf-04518600", "Ivuxolimab", "Pf-04518600", "Pf04518600", "PF-04518600", "PF-8600", "PF04518600", "Ivuxolimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL236297", "category": ["biolink:ChemicalEntity"], "name": "RIFALAZIL", "xref": ["InChIKey:UEFHFKKWYKVLDC-HTQYORAHSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"], "synonym": ["Rifalazil", "Rifalazilo", "Rifalazil", "Rifalazil", "KRM-1648", "Rifalazil"], "chembl_natural_product": true}
{"name": "G-protein coupled receptor family C group 5 member D", "xref": ["CHEMBL.TARGET:CHEMBL4523925"], "id": "UniProtKB:Q9NZD1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650419", "category": ["biolink:ChemicalEntity"], "name": "QUAVONLIMAB", "synonym": ["Quavonlimab", "Quavonlimab", "MK-1308", "QUAVONLIMAB COMPONENT OF MK-1308A", "Quavonlimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297644", "category": ["biolink:ChemicalEntity"], "name": "SIMUROSERTIB", "xref": ["InChIKey:XGVXKJKTISMIOW-ZDUSSCGKSA-N", "SMILES:Cc1n[nH]cc1-c1cc2nc([C@@H]3CC4CCN3CC4)[nH]c(=O)c2s1"], "synonym": ["Simurosertib", "Simurosertib", "Tak 931", "Tak-931", "TAK-931", "TAK931F", "Simurosertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL364804", "category": ["biolink:ChemicalEntity"], "name": "GW-406381", "xref": ["InChIKey:NXMZBNYLCVTRGB-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1"], "synonym": ["Gw 406381", "Gw-406381", "Gw406381"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297564", "category": ["biolink:ChemicalEntity"], "name": "COBITOLIMOD", "synonym": ["Cobitolimod", "Cobitolimod", "Cobitolimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506569", "category": ["biolink:ChemicalEntity"], "name": "LANATOSIDE C", "xref": ["InChIKey:JAYAGJDXJIDEKI-PTGWOZRBSA-N", "SMILES:CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "synonym": ["Lanatoside c", "Lanatoside c", "Lanatoside c", "Lanatosido c", "Lanatoside c jp 17", "Allocor", "Celadigal", "Cetosanol", "Digilanogen c", "Isolanid", "Isolanide", "Lanatigen c", "Lanimerck", "NSC-119991", "NSC-7533", "Cedilanid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL15413", "category": ["biolink:ChemicalEntity"], "name": "FLOMOXEF", "xref": ["InChIKey:UHRBTBZOWWGKMK-DOMZBBRYSA-N", "SMILES:CO[C@@]1(NC(=O)CSC(F)F)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CO[C@@H]21"], "synonym": ["Flomoxef", "Flomoxef", "Flomoxef"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650406", "category": ["biolink:ChemicalEntity"], "name": "LEVILIMAB", "synonym": ["Levilimab", "Levilimab", "Bcd-089", "Levilimab", "BCD-089"]}
{"id": "CHEMBL.COMPOUND:CHEMBL167691", "category": ["biolink:ChemicalEntity"], "name": "LAROMUSTINE", "xref": ["InChIKey:PVCULFYROUOVGJ-UHFFFAOYSA-N", "SMILES:CNC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O"], "synonym": ["Laromustine", "Laromustina", "Laromustine", "Laromustin", "Laromustine", "Onrigin", "101M", "NSC-734246", "VNP-40101M", "VNP40101M", "Cloretazine", "Laromustine"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989658", "category": ["biolink:ChemicalEntity"], "name": "PRADEFOVIR MESYLATE", "xref": ["InChIKey:JXQUAHHUSMJUFV-HZPZRMRQSA-N", "SMILES:CS(=O)(=O)O.Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1"], "synonym": ["Mb06866", "Pradefovir mesilate", "Pradefovir mesylate", "Pradefovir mesylate"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2146102", "category": ["biolink:ChemicalEntity"], "name": "EPHEDRINE HYDROCHLORIDE", "xref": ["InChIKey:BALXUFOVQVENIU-GNAZCLTHSA-N", "SMILES:CN[C@@H](C)[C@H](O)c1ccccc1.Cl"], "synonym": ["Ephedrine hydrochloride", "Ephedrine hydrochloride", "Ephedrine hydrochloride", "(-)-ephedrine hydrochloride", "Ephedrine hcl", "Ephedrine hydrochloride", "Ephedrini hydrochloridum", "L-ephedrine hydrochloride", "NSC-759611", "Amesec", "Asmapax", "Bronchipax", "C.a.m.", "Do-do", "Ephed hcl", "Ephed in nor saline", "Expurhin", "Franol", "Haymine", "Rezipres", "Secron", "Tabasan", "Taumasthman", "Tedral", "Tedral sa"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108893", "category": ["biolink:ChemicalEntity"], "name": "ALFIMEPRASE", "synonym": ["Alfimeprase", "Alfimeprase", "Alfimeprasa", "Alfimeprase", "Alfimeprase", "Alfimeprase"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297858", "category": ["biolink:ChemicalEntity"], "name": "BUDIGALIMAB", "synonym": ["Budigalimab", "Abbv-181", "Budigalimab", "ABBV-181", "ABBV181", "PR-1648817", "Budigalimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298040", "category": ["biolink:ChemicalEntity"], "name": "GEDIVUMAB", "synonym": ["Gedivumab", "Gedivumab", "Mhaa4549a", "MHAA4549A", "RG7745", "RO6876802", "Gedivumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594613", "category": ["biolink:ChemicalEntity"], "name": "VIS-410", "synonym": ["Vis-410", "Vis410", "VIS410"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298205", "category": ["biolink:ChemicalEntity"], "name": "ETIGILIMAB", "synonym": ["Etigilimab", "Etigilimab", "OMP-313M32", "Etigilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774080", "category": ["biolink:ChemicalEntity"], "name": "PF-00217830", "xref": ["InChIKey:QGNOXTFZOLDODX-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)nc2N1"], "synonym": ["Pf-00217830", "J2.975.999E", "PF-217830"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4802223", "category": ["biolink:ChemicalEntity"], "name": "LEUPROLIDE MESYLATE", "xref": ["InChIKey:MBIDSOMXPLCOHS-XNHQSDQCSA-N", "SMILES:CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1.CS(=O)(=O)O"], "synonym": ["Leuprolide mesylate", "Leuprorelin mesilate", "Leuprolide mesylate", "Camcevi", "Leuprorelin mesilate", "Leuprorelin mesylate", "Camcevi", "Camcevi kit"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297345", "category": ["biolink:ChemicalEntity"], "name": "ADL-5747", "xref": ["InChIKey:XROFSGVHHSJMMG-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(O)c1.Cl"], "synonym": ["Adl-5747", "Adl5747", "ADL5747"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916929", "category": ["biolink:ChemicalEntity"], "name": "BALCINRENONE", "xref": ["InChIKey:MBKYLPOPYYLTNW-ZDUSSCGKSA-N", "SMILES:CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2"], "synonym": ["Balcinrenone", "Balcinrenone", "Balcinrenona", "Azd 9977", "Azd-9977", "Azd9977", "Balcinrenone", "AZD-9977", "AZD9977"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650461", "category": ["biolink:ChemicalEntity"], "name": "ANUMIGILIMAB", "synonym": ["Anumigilimab", "Anumigilimab", "Csl 324", "Csl-324", "Csl324", "CSL-324", "CSL324", "Anumigilimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7492", "category": ["biolink:ChemicalEntity"], "name": "PIRITREXIM", "xref": ["InChIKey:VJXSSYDSOJBUAV-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1"], "synonym": ["Piritrexim", "Piritrexime", "Piritrexima", "Piritrexim", "Bw 301u", "Bw-301u", "Piritrexim", "TCMDC-137235"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL17976", "category": ["biolink:ChemicalEntity"], "name": "RESINIFERATOXIN", "xref": ["InChIKey:DSDNAKHZNJAGHN-MXTYGGKSSA-N", "SMILES:C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2"], "synonym": ["Resiniferatoxin", "Lopain", "Mtx-071", "Resiniferatoxin", "MTX-71", "RTX", "Neuroclastin", "Resiniferatoxin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4650374", "category": ["biolink:ChemicalEntity"], "name": "APG-2575", "synonym": ["Lisaftoclax", "Apg-2575", "Apg2575", "APG-2575", "APG2575"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297260", "category": ["biolink:ChemicalEntity"], "name": "AMY-101", "xref": ["InChIKey:MUSGYEMSJUFFHT-UWABRSFTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N(C)[C@H](C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"], "synonym": ["Amy 101", "Amy-101", "Compstatin 40", "Compstatin analog peptide cp40"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566757", "category": ["biolink:ChemicalEntity"], "name": "DAPORINAD", "xref": ["InChIKey:KPBNHDGDUADAGP-VAWYXSNFSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1"], "synonym": ["Daporinad", "Daporinad", "APO 866", "APO-866", "APO866", "FK 866", "FK-866", "FK866", "K 22.175"], "chembl_natural_product": true}
{"name": "Glutamate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL2009"], "id": "UniProtKB:P42261", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650402", "category": ["biolink:ChemicalEntity"], "name": "POSDINEMAB", "synonym": ["Posdinemab", "Posdinemab", "Posdinemab", "Jnj-63733657", "Posdinemab", "JNJ-63733657", "Posdinemab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1569487", "category": ["biolink:ChemicalEntity"], "name": "LORNOXICAM", "xref": ["InChIKey:WLHQHAUOOXYABV-UHFFFAOYSA-N", "SMILES:CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O"], "synonym": ["Lornoxicam", "Lornoxicam", "Lornoxicam", "Lornoxicam", "Lornoxicam", "Lornoxicam", "Lorcam", "Lornoxicam", "CTX", "NSC-759620", "RO 13-9297", "RO-13-9297", "RO-139297", "Xefo", "Lornoxicam"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4650322", "category": ["biolink:ChemicalEntity"], "name": "RUNCACIGUAT", "xref": ["InChIKey:NCRMKIWHFXSBGZ-CNBXIYLPSA-N", "SMILES:C[C@H]([C@H](C(=O)Nc1cc([C@@H](CC(=O)O)C2CC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F"], "synonym": ["Runcaciguat", "Runcaciguat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297385", "category": ["biolink:ChemicalEntity"], "name": "NS-2359", "xref": ["InChIKey:PGYDXVBZYKQYCS-VPWBDBDCSA-N", "SMILES:COC[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C"], "synonym": ["Gsk372475", "Ns-2359", "Ns2359", "GSK-372,475", "GSK-372475", "GSK372475", "NS2359"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4650522", "category": ["biolink:ChemicalEntity"], "name": "ORN-0829 HYDRATE", "synonym": ["Orn-0829 hydrate", "Ts-142", "ORN-0829 HYDRATE", "ORN0829 HYDRATE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298176", "category": ["biolink:ChemicalEntity"], "name": "GARETOSMAB", "synonym": ["Garetosmab", "Garetosmab", "REGN-2477", "REGN2477", "Garetosmab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549386", "category": ["biolink:ChemicalEntity"], "name": "FOTEMUSTINE", "xref": ["InChIKey:YAKWPXVTIGTRJH-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O"], "synonym": ["Fotemustine", "Fotemustine", "Fotemustina", "Fotemustine", "Muphoran", "Mustophorane", "S-10036", "S10036"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL39677", "category": ["biolink:ChemicalEntity"], "name": "ACRIDINE", "xref": ["InChIKey:DZBUGLKDJFMEHC-UHFFFAOYSA-N", "SMILES:c1ccc2nc3ccccc3cc2c1"], "synonym": ["Acridine", "Acridine", "NSC-3408"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3039519", "category": ["biolink:ChemicalEntity"], "name": "SAMATASVIR", "xref": ["InChIKey:ATOLIHZIXHZSBA-BTSKBWHGSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3csc4c(-c5ccc(-c6c[nH]c([C@@H]7CCCN7C(=O)[C@H](NC(=O)OC)c7ccccc7)n6)cc5)csc34)ccc2[nH]1)C(C)C"], "synonym": ["Samatasvir", "Samatasvir", "IDX-18719", "IDX18719", "Samatasvir"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4298031", "category": ["biolink:ChemicalEntity"], "name": "GREMUBAMAB", "synonym": ["Gremubamab", "Gremubamab", "Medi 3902", "Medi3902", "MEDI-3902", "MEDI3902", "Gremubamab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108793", "category": ["biolink:ChemicalEntity"], "name": "TILACTASE", "synonym": ["Tilactase", "Tilactase", "Tilactasa", "Beta-galactosidase (aspergillus)", "Galactosidase", "Tilactase", "Tilactase", "G9S0VV191I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41355", "category": ["biolink:ChemicalEntity"], "name": "EZOGABINE", "xref": ["InChIKey:PCOBBVZJEWWZFR-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N"], "synonym": ["Retigabine", "Retigabine", "Ezogabine", "Retigabine", "Ezogabine", "Retigabine", "Retigabina", "Ezogabine", "Ezogabine", "Retigabine", "Xen496", "AWD-21360", "AWD21-360", "D-23129", "GKE-841", "GW-582892X", "GW582892X", "WAY-143841", "XEN-496", "Potiga", "Trobalt", "Ezogabine", "Retigabine"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.TARGET:CHEMBL2363063", "category": ["biolink:ProteinFamily"], "name": "KCNQ (Kv7) potassium channel"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650379", "category": ["biolink:ChemicalEntity"], "name": "BAMLANIVIMAB", "synonym": ["Bamlanivimab", "Bamlanivimab", "Ly3819253", "LY-3819253", "LY-CoV555", "LY3819253", "Bamlanivimab"]}
{"name": "Spike glycoprotein", "xref": ["CHEMBL.TARGET:CHEMBL4662936"], "id": "UniProtKB:P0DTC2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:2697049"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297235", "category": ["biolink:ChemicalEntity"], "name": "OMBIPEPIMUT-S", "synonym": ["Ombipepimut-s", "DSP-7888", "Ombipepimut-s"]}
{"name": "Wilms tumor protein", "xref": ["CHEMBL.TARGET:CHEMBL4662942"], "id": "UniProtKB:P19544", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304087", "category": ["biolink:ChemicalEntity"], "name": "MERIMEPODIB", "xref": ["InChIKey:JBPUGFODGPKTDW-SFHVURJKSA-N", "SMILES:COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1"], "synonym": ["Merimepodib", "Merimepodib", "Merimepodib", "VI-21,497", "VI-21497", "VX-497", "Merimepodib"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL4665594", "category": ["biolink:ProteinFamily"], "name": "Synaptic vesicle protein"}
{"name": "Low affinity immunoglobulin gamma Fc region receptor II-b", "xref": ["CHEMBL.TARGET:CHEMBL4662940"], "id": "UniProtKB:P31994", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990004", "category": ["biolink:ChemicalEntity"], "name": "BIROPEPIMUT-S", "synonym": ["Biropepimut s", "Biropepimut-s", "GL-0817", "MAGE-A3 Trojan Peptide Vaccine", "Biropepimut-s"]}
{"name": "Melanoma-associated antigen 3", "xref": ["CHEMBL.TARGET:CHEMBL4662941"], "id": "UniProtKB:P43357", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833386", "category": ["biolink:ChemicalEntity"], "name": "GALINPEPIMUT-S", "synonym": ["Galinpepimut-s", "SLS-001", "Galinpepimut-s"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707358", "category": ["biolink:ChemicalEntity"], "name": "OLIPUDASE ALFA", "synonym": ["Olipudase alfa", "Olipudase alfa", "Olipudase alfa", "Olipudase alfa-rpcp", "Olipudase alfa", "Olipudasa alfa", "Olipudase alfa", "Olipudase alfa", "Olipudase alfa rpcp", "GZ-402665", "GZ402665", "RHASM", "Xenpozyme", "Olipudase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4662961", "category": ["biolink:MolecularEntity"], "name": "Sphingomyelin"}
{"id": "CHEMBL.COMPOUND:CHEMBL236345", "category": ["biolink:ChemicalEntity"], "name": "MGB-BP-3", "xref": ["InChIKey:OEKXCVYZBVOWBR-BQYQJAHWSA-N", "SMILES:Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCCN1CCOCC1"], "synonym": ["Mgb-bp-3", "Mgb-bp3", "J2.725.402K", "MGB-BP-3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL167150", "category": ["biolink:ChemicalEntity"], "name": "TRICHLORFON", "xref": ["InChIKey:NFACJZMKEDPNKN-UHFFFAOYSA-N", "SMILES:COP(=O)(OC)C(O)C(Cl)(Cl)Cl"], "synonym": ["Metrifonate", "Metrifonate", "Metrifonate", "Metrifonate", "Metrifonato", "Metrifonatum", "Metriphonate", "Trichlorfon", "Trichlorofon", "Triclorfon", "BAY-A 9826", "BAYER L 1359", "BAYER-L-1359", "DETF", "ENT-19,763", "NSC-8923", "WEC-50", "Bilarcil", "Trichlorfon"], "chembl_prodrug": true, "chembl_natural_product": true}
{"name": "Acetylcholinesterase 1", "xref": ["CHEMBL.TARGET:CHEMBL3341583"], "id": "UniProtKB:P38433", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6239"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374975", "category": ["biolink:ChemicalEntity"], "name": "FUSIDIC ACID", "xref": ["InChIKey:IECPWNUMDGFDKC-MZJAQBGESA-N", "SMILES:CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\\CCC=C(C)C)C(=O)O"], "synonym": ["Fusidic acid", "Fusidic acid", "Fusidic acid", "Fusidic acid", "Acide fusidique", "Acido fusidico", "Fusidic acid", "Anhydrous fusidic acid", "Fusidate", "Fusidic acid", "Ramycin", "Taksta", "CEM-102", "NSC-56192", "SQ 16,603", "SQ-16603", "Fucidin caviject", "Fucithalmic", "Fusidic acid"], "chembl_natural_product": true}
{"name": "Elongation factor G", "xref": ["CHEMBL.TARGET:CHEMBL4665583"], "id": "UniProtKB:P68790", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738", "category": ["biolink:ChemicalEntity"], "name": "DEXRAZOXANE", "xref": ["InChIKey:BMKDZUISNHGIBY-ZETCQYMHSA-N", "SMILES:C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1"], "synonym": ["Dexrazoxane", "Dexrazoxane", "Dexrazoxane", "Dexrazoxane", "Dexrazoxano", "Dexrazoxane", "Razoxane (+)-form", "Dexrazoxane", "Razoxane, (s)-", "Razoxane, d-", "ADR-529", "ICRF-187", "NSC-169780", "Cardioxane", "Dexrazoxane"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297510", "category": ["biolink:ChemicalEntity"], "name": "EMERAMIDE", "xref": ["InChIKey:JUTBAVRYDAKVGQ-UHFFFAOYSA-N", "SMILES:O=C(NCCS)c1cccc(C(=O)NCCS)c1"], "synonym": ["Emeramide", "Emeramida", "Emeramide"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL2363061", "category": ["biolink:MolecularEntity"], "name": "Mercury"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297911", "category": ["biolink:ChemicalEntity"], "name": "SPESOLIMAB", "synonym": ["Spesolimab", "Spesolimab", "Spesolimab", "Spesolimab-sbzo", "Spesolimab", "Espesolimab", "Bi655130", "Spesolimab", "Spesolimab sbzo", "BI 655130", "BI-655130", "BI655130", "Spevigo", "Spesolimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4665591", "category": ["biolink:MacromolecularComplex"], "name": "IL36 receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL284838", "category": ["biolink:ChemicalEntity"], "name": "K-134", "xref": ["InChIKey:ULGNGSQNNMKROG-WOJBJXKFSA-N", "SMILES:O=C(NCCCOc1ccc2[nH]c(=O)ccc2c1)N(C1CC1)[C@@H]1CCCC[C@H]1O"], "synonym": ["K-134", "OPC-33509"], "chembl_natural_product": true}
{"name": "Hemocyanin 1", "xref": ["CHEMBL.TARGET:CHEMBL4662943"], "id": "UniProtKB:Q10583", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:55429"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297344", "category": ["biolink:ChemicalEntity"], "name": "OBEFAZIMOD", "xref": ["InChIKey:OZOGDCZJYVSUBR-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1"], "synonym": ["Obefazimod", "Abx 464", "Abx-464", "Abx464", "Obefazimod", "ABX-464", "ABX464", "SPL-464", "Obefazimod"]}
{"id": "CHEMBL.TARGET:CHEMBL4665589", "category": ["biolink:MacromolecularComplex"], "name": "Cap binding complex"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298178", "category": ["biolink:ChemicalEntity"], "name": "TRASTUZUMAB DUOCARMAZINE", "synonym": ["Trastuzumab duocarmazine", "Trastuzumab duocarmazine", "Trastuzumab duocarmazina", "Trastuzumab duocarmazine", "SYD-985", "SYD985", "Trastuzumab duocarmazine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990034", "category": ["biolink:ChemicalEntity"], "name": "FIDANACOGENE ELAPARVOVEC", "synonym": ["Fidanacogene elaparvovec", "Fidanacogene elaparvovec", "Fidanacogene elaparvovec", "Fidanacogene elaparvovec", "Fidanacogen elaparvovec", "Aav8 hfix19", "Fidanacogene elaparvovec", "Raav-spark100-hfix-padua", "PF-06838435", "SPK 101", "SPK-1001", "SPK-9001", "SPK-FIX Padua", "Spark 101", "Beqvez", "Durveqtix", "Fidanacogene elaparvovec"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1256987", "category": ["biolink:ChemicalEntity"], "name": "FUSIDATE SODIUM", "xref": ["InChIKey:HJHVQCXHVMGZNC-JCJNLNMISA-M", "SMILES:CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\\CCC=C(C)C)C(=O)[O-].[Na+]"], "synonym": ["Sodium fusidate", "Sodium fusidate", "Fusidic acid sodium salt", "Fucidin", "Fucidin leo", "Fusidate sodium", "Fusidic acid, sodium salt", "SQ 16360", "SQ-16360", "ZN-6", "Fucidine", "Fusidate sodium"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1492500", "category": ["biolink:ChemicalEntity"], "name": "DOTHIEPIN", "xref": ["InChIKey:PHTUQLWOUWZIMZ-GZTJUZNOSA-N", "SMILES:CN(C)CC/C=C1\\c2ccccc2CSc2ccccc21"], "synonym": ["Dosulepin", "Dothiepin", "Dosulepin", "Dosulepine", "Dosulepina", "Dothiepin", "Dosulepin", "Dothiepin", "Dothirpin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2106370", "category": ["biolink:ChemicalEntity"], "name": "ILAPRAZOLE", "xref": ["InChIKey:HRRXCXABAPSOCP-UHFFFAOYSA-N", "SMILES:COc1ccnc(C[S+]([O-])c2nc3cc(-n4cccc4)ccc3[nH]2)c1C"], "synonym": ["Ilaprazole", "Ilaprazole", "Ilaprazol", "Ilaprazole", "Noltec"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL298817", "category": ["biolink:ChemicalEntity"], "name": "ALBACONAZOLE", "xref": ["InChIKey:UHIXWHUVLCAJQL-MPBGBICISA-N", "SMILES:C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"], "synonym": ["Albaconazole", "Albaconazol", "Albaconazole", "UR-9825", "W-0027", "W0027", "Albaconazole"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298090", "category": ["biolink:ChemicalEntity"], "name": "SIMLUKAFUSP ALFA", "synonym": ["Simlukafusp alfa", "Ro6874281", "Simlukafusp alfa", "FAP-IL-2V", "FAP-IL2V FP RO6874281", "FAP-IL2v", "RG-7461", "RG7461", "RO-6874281", "RO6874281", "Simlukafusp alfa"]}
{"id": "CHEMBL.TARGET:CHEMBL4665588", "category": ["biolink:MacromolecularComplex"], "name": "IL-2R beta/gamma"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297741", "category": ["biolink:ChemicalEntity"], "name": "DASIGLUCAGON", "synonym": ["Dasiglucagon", "Dasiglucagon", "Dasiglucagon", "ZP-4207", "ZP-GA-1", "ZP4207", "Dasiglucagon"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298194", "category": ["biolink:ChemicalEntity"], "name": "GIROCTOCOGENE FITELPARVOVEC", "synonym": ["Giroctocogene fitelparvovec", "Giroctocogen fitelparvovec", "Giroctocogene fitelparvovec", "PF-07055480", "SB-525", "Giroctocogene fitelparvovec"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109072", "category": ["biolink:ChemicalEntity"], "name": "FIBRINOGEN, HUMAN", "synonym": ["Fibrinogen, human", "Fibrinogen", "Fibrinogen, human", "Evarrest", "Factor i (fibrinogen)", "Factor i human", "Fibrinogen (human)", "Fibrinogen concentrate (human)", "Fibrinogen concentrate human", "Fibrinogen human", "Fibrinogen human plasma-derived", "Fibrinogen, human", "Haemocomplettan p", "Human fibrinogen", "Parenogen", "Raplixa", "Fibrinogen, human"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3549142", "category": ["biolink:ChemicalEntity"], "name": "EPETRABOROLE", "xref": ["InChIKey:FXQIIDINBDJDKL-SNVBAGLBSA-N", "SMILES:NC[C@H]1OB(O)c2c(OCCCO)cccc21"], "synonym": ["Epetraborole", "Epetraborol", "An3365", "Epetraborole", "Gsk2251052", "AN-3365", "AN3365", "GSK-2251052", "GSK2251052"], "chembl_natural_product": true}
{"name": "Leucine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL4662935"], "id": "UniProtKB:P07813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650488", "category": ["biolink:ChemicalEntity"], "name": "ETESEVIMAB", "synonym": ["Etesevimab", "Anti-sars-cov-2 antibody js016", "Etesevimab", "Ly3832479", "CB-6", "CB6", "JS-016", "JS016", "LY COV016", "LY-3832479", "LY-COV016", "LY3832479", "NP-005", "NP005", "Etesevimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594573", "category": ["biolink:ChemicalEntity"], "name": "FEPIXNEBART", "synonym": ["Fepixnebart", "Fepixnebart", "Fepixnebart", "Fepixnebart", "Ly-3016859", "Ly3016859", "LY-3016859", "LY3016859", "Fepixnebart"]}
{"name": "Protransforming growth factor alpha", "xref": ["CHEMBL.TARGET:CHEMBL4662938"], "id": "UniProtKB:P01135", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proepiregulin", "xref": ["CHEMBL.TARGET:CHEMBL4662939"], "id": "UniProtKB:O14944", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594547", "category": ["biolink:ChemicalEntity"], "name": "TEMELIMAB", "synonym": ["Temelimab", "Gnbac1", "Temelimab", "GNBAC1"]}
{"name": "Syncytin-1", "xref": ["CHEMBL.TARGET:CHEMBL4662944"], "id": "UniProtKB:Q9UQF0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA-directed RNA polymerase III subunit RPC1", "xref": ["CHEMBL.TARGET:CHEMBL4665582"], "id": "UniProtKB:O14802", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297736", "category": ["biolink:ChemicalEntity"], "name": "PRALUZATAMAB RAVTANSINE", "synonym": ["Praluzatamab ravtansine", "Praluzatamab ravtansina", "Anti-cd166-dm4 cx-2009", "Cx 2009", "Cx-2009", "Praluzatamab ravtansine", "CX-2009", "Praluzatamab ravtansine"]}
{"name": "CD166 antigen", "xref": ["CHEMBL.TARGET:CHEMBL4665584"], "id": "UniProtKB:Q13740", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249856", "category": ["biolink:ChemicalEntity"], "name": "ENOXIMONE", "xref": ["InChIKey:ZJKNESGOIKRXQY-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1"], "synonym": ["Enoximone", "Enoximone", "Enoximone", "Enoximone", "Enoximona", "Enoximone", "Enoximone", "MDL 17,043", "MDL-17043", "Perfan", "Enoximone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3990031", "category": ["biolink:ChemicalEntity"], "name": "ROSMANTUZUMAB", "synonym": ["Rosmantuzumab", "Rosmantuzumab", "OMP-131R10", "OMP131R10", "Rosmantuzumab"]}
{"id": "CHEMBL.TARGET:CHEMBL4665590", "category": ["biolink:MolecularActivity"], "name": "RSPO3-LGR4"}
{"id": "CHEMBL.COMPOUND:CHEMBL2347704", "category": ["biolink:ChemicalEntity"], "name": "ACOZIBOROLE", "xref": ["InChIKey:PTYGDEXEGLDNAZ-UHFFFAOYSA-N", "SMILES:CC1(C)OB(O)c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)ccc21"], "synonym": ["Acoziborole", "Acoziborol", "Acoziborole", "Sctx-7158", "Scyx-7158", "SCYX-7158"]}
{"name": "Cleavage and polyadenylation specificity factor subunit", "xref": ["CHEMBL.TARGET:CHEMBL4665581"], "id": "UniProtKB:A0A3L6L9G6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:630700"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297728", "category": ["biolink:ChemicalEntity"], "name": "CIRMTUZUMAB", "synonym": ["Zilovertamab", "Cirmtuzumab", "UC-961"]}
{"name": "Inactive tyrosine-protein kinase transmembrane receptor ROR1", "xref": ["CHEMBL.TARGET:CHEMBL4665585"], "id": "UniProtKB:Q01973", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594320", "category": ["biolink:ChemicalEntity"], "name": "AVALGLUCOSIDASE ALFA", "synonym": ["Avalglucosidase alfa", "Avalglucosidase alfa", "Avalglucosidase alfa-ngpt", "Avalglucosidase alfa", "Avalglucosidasa alfa", "Avalglucosidase alfa", "Avalglucosidase alfa ngpt", "Gz402666", "GZ-402666", "GZ402666", "neoGAA", "Nexviadyme", "Nexviazyme", "Avalglucosidase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL4662969", "category": ["biolink:MolecularEntity"], "name": "Glycogen"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650436", "category": ["biolink:ChemicalEntity"], "name": "AGN-211745", "synonym": ["Agn 211745", "Agn-211745", "AGN 211745", "AGN-211745", "AGN-745", "SIRNA-027"]}
{"id": "CHEMBL.TARGET:CHEMBL4662970", "category": ["biolink:NucleicAcidEntity"], "name": "VEGFR1 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650319", "category": ["biolink:ChemicalEntity"], "name": "MOBOCERTINIB", "xref": ["InChIKey:AZSRSNUQCUDCGG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"], "synonym": ["Mobocertinib", "Mobocertinib", "Mobocertinib", "Tak-788", "AP-32788", "AP32788", "TAK-788", "Mobocertinib"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297797", "category": ["biolink:ChemicalEntity"], "name": "NNC0114-0006", "synonym": ["Nnc0114-0006", "NN-8828", "NN-9828"]}
{"name": "Interleukin-21", "xref": ["CHEMBL.TARGET:CHEMBL4665586"], "id": "UniProtKB:Q9HBE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650421", "category": ["biolink:ChemicalEntity"], "name": "RECOMBINANT HUMAN INTERLEUKIN-15", "synonym": ["Recombinant human il-15", "Recombinant human interleukin-15", "Rhil-15"]}
{"id": "CHEMBL.TARGET:CHEMBL4665592", "category": ["biolink:MacromolecularComplex"], "name": "Interleukin-15 receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297591", "category": ["biolink:ChemicalEntity"], "name": "FOSMANOGEPIX", "xref": ["InChIKey:JQONJQKKVAHONF-UHFFFAOYSA-N", "SMILES:Nc1c(-c2cc(Cc3ccc(COc4ccccn4)cc3)no2)ccc[n+]1COP(=O)([O-])O"], "synonym": ["Fosmanogepix", "Apx-001", "Apx001", "Fosmanogepix", "APX001", "E1211", "Fosmanogepix"], "chembl_prodrug": true}
{"name": "GPI-anchored wall transfer protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4662934"], "id": "UniProtKB:Q873N2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650524", "category": ["biolink:ChemicalEntity"], "name": "SOTROVIMAB", "synonym": ["Sotrovimab", "Sotrovimab", "Sotrovimab", "Sotrovimab", "Vir-7831", "GSK-4182136", "GSK4182136", "VIR-7831", "VIR7831", "Xevudy", "Sotrovimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297370", "category": ["biolink:ChemicalEntity"], "name": "CRS-3123", "xref": ["InChIKey:NNTYBKTXMKBRFA-CQSZACIVSA-N", "SMILES:O=c1cc(NCCCN[C@@H]2CCOc3c(Br)cc(Br)cc32)[nH]c2ccsc12"], "synonym": ["Crs-3123", "Crs3123", "CRS3123", "REP-3123", "REP3123"], "chembl_natural_product": true}
{"name": "Methionine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL4662937"], "id": "UniProtKB:Q181D9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272563"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650413", "category": ["biolink:ChemicalEntity"], "name": "OLPASIRAN", "synonym": ["Olpasiran", "Amg 890", "Olpasiran", "AMG 890", "AMG-890", "Olpasiran"]}
{"id": "CHEMBL.TARGET:CHEMBL4662965", "category": ["biolink:NucleicAcidEntity"], "name": "LPA mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650468", "category": ["biolink:ChemicalEntity"], "name": "BEPIROVIRSEN", "synonym": ["Bepirovirsen", "Bepirovirsen", "Gsk3228836", "GSK-3228836", "GSK-3228836B", "GSK3228836", "GSK3228836B", "IONIS HBVRX", "ISIS 505358", "ISIS-505358", "ISIS-GSK3RX", "Bepirovirsen"]}
{"id": "CHEMBL.TARGET:CHEMBL4662967", "category": ["biolink:NucleicAcidEntity"], "name": "mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL2219413", "category": ["biolink:ChemicalEntity"], "name": "BRILACIDIN", "xref": ["InChIKey:QPDYBCZNGUJZDK-DNQXCXABSA-N", "SMILES:N=C(N)NCCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCNC(=N)N)c3O[C@@H]3CCNC3)ncn2)c1O[C@@H]1CCNC1"], "synonym": ["Brilacidin", "Brilacidine", "Brilacidina", "Brilacidin", "PMX-30063 FREE BASE", "PMX30063", "PMX30063 FREE BASE", "Brilacidin"]}
{"id": "CHEMBL.TARGET:CHEMBL4662968", "category": ["biolink:CellularComponent"], "name": "Membrane"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297232", "category": ["biolink:ChemicalEntity"], "name": "DICLOFENAC ETALHYALURONATE SODIUM", "synonym": ["SI-613 SODIUM", "Diclofenac etalhyaluronate sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650326", "category": ["biolink:ChemicalEntity"], "name": "TEREVALEFIM", "xref": ["InChIKey:FOHWAQGURRYJFK-ONEGZZNKSA-N", "SMILES:C(=C/c1cccs1)\\c1cc[nH]n1"], "synonym": ["Terevalefim", "Ang-3777", "Refanalin", "Terevalefim", "ANG-3777", "BB-3", "BB3", "SNV-003", "Terevalefim"]}
{"id": "CHEMBL.TARGET:CHEMBL4662962", "category": ["biolink:MolecularEntity"], "name": "Psl"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298196", "category": ["biolink:ChemicalEntity"], "name": "VEVERIMER", "synonym": ["Veverimer", "Veverimere", "Veverimero", "Veverimer", "TRC-101", "TRC101", "Veverimer"]}
{"id": "CHEMBL.TARGET:CHEMBL4662966", "category": ["biolink:SmallMolecule"], "name": "Hydrochloric acid"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068091", "category": ["biolink:ChemicalEntity"], "name": "ATIGOTATUG", "synonym": ["Atigotatug", "Atigotatug", "Atigotatug", "Bms 986012", "Bms-986012", "BMS-986012"]}
{"id": "CHEMBL.TARGET:CHEMBL4665587", "category": ["biolink:MolecularEntity"], "name": "Fucosyl-GM1"}
{"id": "CHEMBL.COMPOUND:CHEMBL187927", "category": ["biolink:ChemicalEntity"], "name": "DIANICLINE", "xref": ["InChIKey:SUPRUPHAEXPGPF-QWHCGFSZSA-N", "SMILES:c1cnc2c(c1)O[C@H]1CCN3CC[C@@]1(C2)C3"], "synonym": ["Dianicline", "Dianiclina", "Dianicline", "SSR-591813", "SSR591813"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL459324", "category": ["biolink:ChemicalEntity"], "name": "DIACETYLMORPHINE", "xref": ["InChIKey:GVGLGOZIDCSQPN-PVHGPHFFSA-N", "SMILES:CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341"], "synonym": ["Diacetylmorphine", "Diacetylmorphine", "IDS-NH-001", "IDS-NH-001(SECT.3)", "J6.494G"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4650441", "category": ["biolink:ChemicalEntity"], "name": "IMSIDOLIMAB", "synonym": ["Imsidolimab", "Anb019", "Imsidolimab", "ANB-019", "ANB019", "Imsidolimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297813", "category": ["biolink:ChemicalEntity"], "name": "PRI-724", "synonym": ["Foscenvivint", "Pri-724", "(S,S)-ICG-001", "PRI-724", "PRI724"]}
{"id": "CHEMBL.TARGET:CHEMBL4665593", "category": ["biolink:MolecularActivity"], "name": "CBP/beta catenin"}
{"name": "Casein kinase I isoform epsilon", "xref": ["CHEMBL.TARGET:CHEMBL4937"], "id": "UniProtKB:P49674", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412309", "category": ["biolink:ChemicalEntity"], "name": "AR-67", "xref": ["InChIKey:XUSKJHCMMWAAHV-SANMLTNESA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2[Si](C)(C)C(C)(C)C"], "synonym": ["Ar-67", "Silatecan", "AR67", "DB 67", "DB-67", "NSC-708298"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3990012", "category": ["biolink:ChemicalEntity"], "name": "PEGAPAMODUTIDE", "synonym": ["Pegapamodutide", "Pegapamodutida", "Pegapamodutide", "LY-2944876", "LY2944876", "Pegapamodutide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650342", "category": ["biolink:ChemicalEntity"], "name": "ONZIGOLIDE", "xref": ["InChIKey:WLBJBODHTIKYSL-JFPOTJHNSA-N", "SMILES:CCCN1C[C@H](CSCC(=O)NCCCC[C@@H](NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(CCC)C2)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21"], "synonym": ["Onzigolide", "Dopastatin", "Onzigolide", "Tbr-760", "BIM-23A760", "TBR-760"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278398", "category": ["biolink:ChemicalEntity"], "name": "PHENINDAMINE", "xref": ["InChIKey:ISFHAYSTHMVOJR-UHFFFAOYSA-N", "SMILES:CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12"], "synonym": ["Phenindamine", "Phenindamine", "Phenindamine", "Fenindamina", "NU-1504"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989988", "category": ["biolink:ChemicalEntity"], "name": "MODOTUXIMAB", "synonym": ["Modotuximab", "Modotuximab", "Zatuximab", "1024 DS", "1024-DS", "Modotuximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594406", "category": ["biolink:ChemicalEntity"], "name": "LUTETIUM LU-177 VIPIVOTIDE TETRAXETAN", "synonym": ["Lutetium (177lu) vipivotide tetraxetan", "Lutetium (177lu) vipivotide tetraxetan", "Lutetium lu-177 vipivotide tetraxetan", "Lutetium lu-177 vipivotide tetraxetan", "Lutetium (177lu) vipivotide tetraxetan", "177lu-psma-617", "Lutetium lu 177 vipivotide tetraxetan", "Pluvicto", "Psma-617 lu-177", "Vipivotide tetraxetan lu-177", "Vipivotide tetraxetan lutetium lu-177", "177LU-LABELED PSMA-617", "177Lu-PSMA-617", "Pluvicto", "Lutetium lu 177 vipivotide tetraxetan"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108080", "category": ["biolink:ChemicalEntity"], "name": "PARNAPARIN SODIUM", "synonym": ["Parnaparin sodium", "Parnaparine sodique", "Parnaparina de sodio", "Parnaparin sodium", "Fluxum", "Lowepa", "Minidalton", "Parnaparin sodium", "Tromboparin", "OP 21-23", "OP-21-23", "OP-2123"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650336", "category": ["biolink:ChemicalEntity"], "name": "EMVODODSTAT", "xref": ["InChIKey:SRSHBZRURUNOSM-DEOSSOPVSA-N", "SMILES:COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1"], "synonym": ["Emvododstat", "Emvododstat", "Ptc-299", "Ptc299", "PTC299", "Emvododstat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108493", "category": ["biolink:ChemicalEntity"], "name": "INSULIN ZINC, PROMPT", "synonym": ["Insulin zinc suspension (amorphous)", "Insulin zinc suspension", "Insulin zinc suspension (amorphous)", "Suspension d'insuline zinc (amorphe)", "Suspension de insulina cinc (amorfa)", "Amorphous (aqueous suspension)", "Insulin zinc injection", "Insulin zinc injection, amorphous (aqueous suspension)", "Insulin zinc, prompt", "Ins semit mc", "Insulin zinc, prompt"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108968", "category": ["biolink:ChemicalEntity"], "name": "INSULIN [INJECTION], BIPHASIC", "synonym": ["Insulin [injection], biphasic", "Biphasic insulin injection", "Biphasic insulin injection", "Insulin [injection], biphasic", "Solute injectable d'insuline biphasique", "Inyectable de insulina bifasica", "Ins rapit mc"]}
{"id": "CHEMBL.COMPOUND:CHEMBL124363", "category": ["biolink:ChemicalEntity"], "name": "CENSAVUDINE", "xref": ["InChIKey:OSYWBJSVKUFFSU-SKDRFNHKSA-N", "SMILES:C#C[C@@]1(CO)C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1"], "synonym": ["Censavudine", "Censavudina", "4'-ed4t", "4'-ethynyl stavudine", "4'-ethynylstavudine", "Censavudine", "Censavudine, 4'-ethynyl-d4t", "Festinavir", "BMS-986001", "OBP-601", "Censavudine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4650369", "category": ["biolink:ChemicalEntity"], "name": "ABELACIMAB", "synonym": ["Abelacimab", "Abelacimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440498", "category": ["biolink:ChemicalEntity"], "name": "CTS-1027", "xref": ["InChIKey:ROSNVSQTEGHUKU-UHFFFAOYSA-N", "SMILES:O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1"], "synonym": ["Cts-1027", "RO-1130830", "RS-130830"], "chembl_natural_product": true}
{"name": "Matrix metalloproteinase-14", "xref": ["CHEMBL.TARGET:CHEMBL3869"], "id": "UniProtKB:P50281", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264610", "category": ["biolink:ChemicalEntity"], "name": "SEVITERONEL", "xref": ["InChIKey:ZBRAJOQFSNYJMF-SFHVURJKSA-N", "SMILES:CC(C)[C@](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c1c[nH]nn1"], "synonym": ["Seviteronel", "Seviteronel", "Vt-464"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297392", "category": ["biolink:ChemicalEntity"], "name": "IOWH-032", "xref": ["InChIKey:DSFNLJXHXBIKDS-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc(Br)c(O)c(Br)c2)no1"], "synonym": ["Iowh-032", "Iowh032"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL350775", "category": ["biolink:ChemicalEntity"], "name": "BIRICODAR", "xref": ["InChIKey:CGVWPQOFHSAKRR-NDEPHWFRSA-N", "SMILES:COc1cc(C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)cc(OC)c1OC"], "synonym": ["Biricodar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269864", "category": ["biolink:ChemicalEntity"], "name": "ULODESINE", "xref": ["InChIKey:AFNHHLILYQEHKK-BDAKNGLRSA-N", "SMILES:O=c1[nH]cnc2c(CN3C[C@H](CO)[C@@H](O)C3)c[nH]c12"], "synonym": ["Ulodesine", "Ulodesina", "Dadme-immucillin h", "Ulodesine", "BCX-3408", "BCX4208", "LR-09", "R-3421", "Bcx-4208", "Ulodesine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4802154", "category": ["biolink:ChemicalEntity"], "name": "TILPISERTIB", "xref": ["InChIKey:VFGSKBLZRDRHOI-ZAGPDIDGSA-N", "SMILES:Cn1ccc2c([C@H](Nc3cc(Cl)c4ncc(C#N)c(NCC(C)(C)C)c4c3)c3cn(C45CC(C4)C5)nn3)cccc2c1=O"], "synonym": ["Tilpisertib", "Tilpisertib"]}
{"name": "Mitogen-activated protein kinase kinase kinase 8", "xref": ["CHEMBL.TARGET:CHEMBL4899"], "id": "UniProtKB:P41279", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650313", "category": ["biolink:ChemicalEntity"], "name": "ZANDATRIGINE", "xref": ["InChIKey:UCSHINHOAVARGQ-SFHVURJKSA-N", "SMILES:Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1N(C)[C@H]1CCN(Cc2ccccc2)C1"], "synonym": ["Zandatrigine", "Zandatrigine", "Zandatrigina", "Nbi-921352", "Xen901", "Zandatrigine", "NBI-921352", "XEN-901", "XEN901", "Zandatrigine"]}
{"name": "Sodium channel protein type 8 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL5202"], "id": "UniProtKB:Q9UQD0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650338", "category": ["biolink:ChemicalEntity"], "name": "EDRALBRUTINIB", "xref": ["InChIKey:DNPOFZXZJJDQLB-MRXNPFEDSA-N", "SMILES:CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1"], "synonym": ["Edralbrutinib", "Edralbrutinib", "Shr1459", "Tg 1701", "Tg-1701", "SHR-1459", "SHR1459", "TG-1701", "TG1701", "Edralbrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650398", "category": ["biolink:ChemicalEntity"], "name": "HEPALATIDE", "synonym": ["Hepalatide", "L47"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594526", "category": ["biolink:ChemicalEntity"], "name": "TOSATOXUMAB", "synonym": ["Tosatoxumab", "Ar-301", "Kbsa301", "Tosatoxumab", "AR-301", "AR301", "KBSA-301", "KBSA301"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383322", "category": ["biolink:ChemicalEntity"], "name": "RESIQUIMOD", "xref": ["InChIKey:BXNMTOQRYBFHNZ-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O"], "synonym": ["Resiquimod", "Resiquimod", "Resiquimod", "CD-11301", "CD11301", "R-848", "R848", "S-28463"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297995", "category": ["biolink:ChemicalEntity"], "name": "BAZLITORAN", "synonym": ["Bazlitoran", "Bazlitoran", "Imo-8400", "IMO-8400", "Bazlitoran"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63", "category": ["biolink:ChemicalEntity"], "name": "ROLIPRAM", "xref": ["InChIKey:HJORMJIFDVBMOB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1"], "synonym": ["Rolipram", "Rolipram", "Rolipram", "(r,s)-rolipram", "Rolipram", "NSC-760125", "SB-95952", "ZK 62 711", "ZK-62711", "ZK-62771", "Rolipram"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3114577", "category": ["biolink:ChemicalEntity"], "name": "ZALUNFIBAN", "xref": ["InChIKey:LTVKZVGAALCRFW-UHFFFAOYSA-N", "SMILES:NCC(=O)Nc1cncc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1"], "synonym": ["Zalunfiban", "Zalunfiban", "RUC-4", "RUC4", "Zalunfiban"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1551724", "category": ["biolink:ChemicalEntity"], "name": "ACADESINE", "xref": ["InChIKey:RTRQQBHATOEIAF-UUOKFMHZSA-N", "SMILES:NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N"], "synonym": ["Acadesine", "Acadesine", "Acadesine", "Acadesina", "Acadesine", "Acadesine", "GP-1-110", "NSC-105823", "Acadesine"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL2096907", "category": ["biolink:MacromolecularComplex"], "name": "AMP-activated protein kinase, AMPK"}
{"id": "CHEMBL.COMPOUND:CHEMBL1643880", "category": ["biolink:ChemicalEntity"], "name": "PUMOSETRAG", "xref": ["InChIKey:AFUWQWYPPZFWCO-LBPRGKRZSA-N", "SMILES:O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O"], "synonym": ["Pumosetrag", "Ddp733", "Pumosetrag"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL427216", "category": ["biolink:ChemicalEntity"], "name": "GLICLAZIDE", "xref": ["InChIKey:BOVGTQGAOIONJV-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1"], "synonym": ["Gliclazide", "Gliclazide", "Gliclazide", "Gliclazida", "Gliclazide", "Glimicron", "J3.151H", "NSC-758673", "S-1702", "S-852", "SE 1702", "SE-1702", "Bilxona", "Dacadis mr", "Diaglyk", "Diamicron", "Diamicron mr", "Edicil", "Glimil", "Nazdol mr", "Vamju", "Vitile xl", "Ziclaseg", "Zicron", "Zicron pr"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297555", "category": ["biolink:ChemicalEntity"], "name": "RESIMMUNE", "synonym": ["A-dmdt390-bisfv(ucht1)", "Resimmune", "LAX-699"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295698", "category": ["biolink:ChemicalEntity"], "name": "LEVOKETOCONAZOLE", "xref": ["InChIKey:XMAYWYJOQHXEEK-ZEQKJWHPSA-N", "SMILES:CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1"], "synonym": ["Levoketoconazole", "Levoketoconazole", "Levoketoconazole", "Levoketoconazol", "(-)-(2s,4r)-ketoconazole", "2s,4r ketoconazole", "2s,4r-ketoconazole", "Ketoconazole, (2s,4r)-", "Levoketoconazole", "Normocort", "COR-003", "COR003", "DIO-902", "Recorlev", "Levoketoconazole"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Cytochrome P450 11B2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2722"], "id": "UniProtKB:P19099", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298055", "category": ["biolink:ChemicalEntity"], "name": "ALDAFERMIN", "synonym": ["Aldafermin", "Aldafermine", "Aldafermina", "Aldafermin", "Ngm282", "NGM-282", "NGM282", "Aldafermin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108034", "category": ["biolink:ChemicalEntity"], "name": "IBOCTADEKIN", "synonym": ["Iboctadekin", "Iboctadekine", "Iboctadekina", "Iboctadekin", "Ifn-gamma-inducing factor", "Il-1 gamma", "Il-18", "Interferon gamma-inducing factor", "Interleukin-1 gamma", "Interleukin-18", "SB-485232", "Iboctadekin"]}
{"id": "CHEMBL.TARGET:CHEMBL4804253", "category": ["biolink:MacromolecularComplex"], "name": "IL18 Receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4804255", "category": ["biolink:MacromolecularComplex"], "name": "FGFR4-KLB"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594385", "category": ["biolink:ChemicalEntity"], "name": "ASTEGOLIMAB", "synonym": ["Astegolimab", "Astegolimab", "Mstt1041a", "AMG-282", "AMG282", "MSTT-1041A", "MSTT1041A", "RG-6149", "RG6149", "RO-7187807", "Astegolimab"]}
{"id": "CHEMBL.TARGET:CHEMBL4804256", "category": ["biolink:MacromolecularComplex"], "name": "IL-33 receptor (ST2)"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297645", "category": ["biolink:ChemicalEntity"], "name": "CEFILAVANCIN", "xref": ["InChIKey:OGUAFUAJSPORAH-KHCCTVBNSA-N", "SMILES:CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCO/N=C(\\C(=O)N[C@@H]4C(=O)N5C(C(=O)[O-])=C(C[n+]6ccccc6)CS[C@H]45)c4nc(N)sc4Cl)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O"], "synonym": ["Cefilavancin", "Cefilavancine", "Cefilavancina", "Cefilavancin", "Td-1792", "TD-1792"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298102", "category": ["biolink:ChemicalEntity"], "name": "VUNAKIZUMAB", "synonym": ["Vunakizumab", "Shr-1314", "Vunakizumab", "SHR-1314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107811", "category": ["biolink:ChemicalEntity"], "name": "ZABOFLOXACIN", "xref": ["InChIKey:ZNPOCLHDJCAZAH-OEAKJJBVSA-N", "SMILES:CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC12CNC2"], "synonym": ["Zabofloxacin", "Zabofloxacine", "Zabofloxacino", "Zabofloxacin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802210", "category": ["biolink:ChemicalEntity"], "name": "BEBTELOVIMAB", "synonym": ["Bebtelovimab", "Ly3853113", "LY-3853113", "LY-CoV1404", "LY3853113", "Bebtelovimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650382", "category": ["biolink:ChemicalEntity"], "name": "AMUBARVIMAB", "synonym": ["Amubarvimab", "Amubarvimab", "Brii 196", "Brii-196", "BRII-196", "BRII196", "Amubarvimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802171", "category": ["biolink:ChemicalEntity"], "name": "ENSOVIBEP", "synonym": ["Ensovibep", "Ensovibep", "Mp0420", "MP-0420", "MP0420"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827379", "category": ["biolink:ChemicalEntity"], "name": "BMS-955176", "xref": ["InChIKey:XDMUFNNPLXHNKA-ZTESCHFWSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(NCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "synonym": ["Bms-955176", "BMS-955176", "GSK-3532795"]}
{"name": "Protease", "xref": ["CHEMBL.TARGET:CHEMBL2366517"], "id": "UniProtKB:Q9YQ12", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL50882", "category": ["biolink:ChemicalEntity"], "name": "TIRAPAZAMINE", "xref": ["InChIKey:ORYDPOVDJJZGHQ-UHFFFAOYSA-N", "SMILES:Nc1n[n+]([O-])c2ccccc2[n+]1[O-]"], "synonym": ["Tirapazamine", "Tirapazamina", "Tirapazamine", "Tirapazamine", "Tirazone", "NSC-130181", "SML-0552", "SML0552", "SR-259075", "SR-4233", "SR259075", "SR4233", "WIN 59075", "WIN-59075", "WIN59075", "Tirapazamine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4650486", "category": ["biolink:ChemicalEntity"], "name": "ZANSECIMAB", "synonym": ["Zansecimab", "Ly3127804", "Zansecimab", "LY-3127804", "LY3127804", "Zansecimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802221", "category": ["biolink:ChemicalEntity"], "name": "SOCAZOLIMAB", "synonym": ["Socazolimab", "Socazolimab", "Zkab001", "Anti-PD-L1 SH1E2", "SH1E2", "STI-A1014", "ZKAB-001", "ZKAB001", "Socazolimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297828", "category": ["biolink:ChemicalEntity"], "name": "ADEBRELIMAB", "synonym": ["Adebrelimab", "Adebrelimab", "Shr-1316", "HTI-1088", "SHR-1316"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650516", "category": ["biolink:ChemicalEntity"], "name": "FINOTONLIMAB", "synonym": ["Finotonlimab", "Finotonlimab", "Sct i10a", "Sct-i10a", "SCT-I10A"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594602", "category": ["biolink:ChemicalEntity"], "name": "LOMVASTOMIG", "synonym": ["Lomvastomig", "Lomvastomig", "Lomvastomig", "Lomvastomig", "Ro-7121661", "Ro7121661", "RO-7121661", "RO7121661"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571209", "category": ["biolink:ChemicalEntity"], "name": "INDOXIMOD", "xref": ["InChIKey:ZADWXFSZEAPBJS-SNVBAGLBSA-N", "SMILES:Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21"], "synonym": ["Indoximod", "1-methyltryptophan, d-", "D-1-methyltryptophan", "Indoximod", "N-1-methyl-d-tryptophan", "D-1MT", "NLG-8189", "NSC-721782", "Indoximod"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL4296661", "category": ["biolink:MacromolecularComplex"], "name": "mTORC1"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297600", "category": ["biolink:ChemicalEntity"], "name": "RELDESEMTIV", "xref": ["InChIKey:MQXWPWOCXGARRK-HJGJAMNPSA-N", "SMILES:NC(=O)c1ccn(-c2cnc(NC[C@]3(c4ncccc4F)C[C@H](F)C3)nc2)c1"], "synonym": ["Reldesemtiv", "Ck-2127107", "Reldesemtiv", "CK-2127107", "Reldesemtiv"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298202", "category": ["biolink:ChemicalEntity"], "name": "PELACARSEN", "synonym": ["Pelacarsen", "Ionis-apo(a)-lrx", "Pelacarsen", "AKCEA-APO(a)-LRx", "ISIS 681257", "ISIS-681257 FREE ACID", "Pelacarsen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297923", "category": ["biolink:ChemicalEntity"], "name": "RASDEGAFUSP ALFA", "synonym": ["Cdx-1401", "Rasdegafusp alfa", "CDX-1401", "Rasdegafusp alfa"]}
{"name": "Lymphocyte antigen 75", "xref": ["CHEMBL.TARGET:CHEMBL4804258"], "id": "UniProtKB:O60449", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108664", "category": ["biolink:ChemicalEntity"], "name": "VERPASEP CALTESPEN", "synonym": ["Verpasep caltespen", "Verpasep caltespeno", "Verpasep caltespen", "BCG-65-E7", "BCG65-E7", "HSPE-7", "HSPE7", "Verpasep caltespen"]}
{"name": "Chaperonin GroEL 2", "xref": ["CHEMBL.TARGET:CHEMBL4804242"], "id": "UniProtKB:P0A521", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:233413"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650230", "category": ["biolink:ChemicalEntity"], "name": "SIMUFILAM", "xref": ["InChIKey:BSQPTZYKCAULBH-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)NCC(=O)N2Cc1ccccc1"], "synonym": ["Simufilam", "Simufilam", "C-0105", "C0105", "C0105M", "PTI-125", "PTI-910", "Filora", "Simufilam"]}
{"name": "Filamin-A", "xref": ["CHEMBL.TARGET:CHEMBL4804243"], "id": "UniProtKB:P21333", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486226", "category": ["biolink:ChemicalEntity"], "name": "BMS-707035", "xref": ["InChIKey:VNIWZCGZPBJWBI-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCCCS2(=O)=O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O"], "synonym": ["Bms 707035", "Bms-707035"]}
{"name": "Integrase", "synonym": ["Gag-Pol polyprotein"], "xref": ["CHEMBL.TARGET:CHEMBL4296304"], "id": "UniProtKB:T1QYY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594568", "category": ["biolink:ChemicalEntity"], "name": "KN-026", "synonym": ["Anbenitamab", "Anti-her2 bsab kn026", "Kn 026", "Kn-026", "Kn026", "KN-026", "KN026"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594447", "category": ["biolink:ChemicalEntity"], "name": "MESDOPETAM", "xref": ["InChIKey:OSBPYFBXSLJHCR-UHFFFAOYSA-N", "SMILES:CCCNCCOc1cc(F)cc(S(C)(=O)=O)c1"], "synonym": ["Mesdopetam", "Irl790", "Mesdopetam", "IRL-790", "IRL790"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650340", "category": ["biolink:ChemicalEntity"], "name": "TRAZPIROBEN", "xref": ["InChIKey:BDXJYAAYLZTLEK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CN2CN(C3CCCCC3)C3(CCN(CCCC(=O)c4ccccc4)CC3)C2=O)c1"], "synonym": ["Trazpiroben", "Tak-906", "Trazpiroben", "TAK-906", "TAK906", "Trazpiroben"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314691", "category": ["biolink:ChemicalEntity"], "name": "BQ-123", "xref": ["InChIKey:VYCMAAOURFJIHD-PJNXIOHISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"], "synonym": ["Bq-123", "Cyclo(d-trp-d-asp-pro-d-val-leu)", "BQ123"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946618", "category": ["biolink:ChemicalEntity"], "name": "AZD-7268", "xref": ["InChIKey:ZJKUETLEJYCOBO-UHFFFAOYSA-N", "SMILES:CN(CCO)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1"], "synonym": ["Azd 7268", "Azd-7268", "Azd7268", "AZ-12488024", "AZ12488024", "AZD7268"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108305", "category": ["biolink:ChemicalEntity"], "name": "INSULIN TREGOPIL", "synonym": ["Insulin tregopil", "Insuline tregopil", "Insulina tregopilo", "Insulin tregopil", "IN-105"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108964", "category": ["biolink:ChemicalEntity"], "name": "INSULIN, ISOPHANE", "synonym": ["Insulin, isophane", "Isophane insulin", "Insulin, isophane", "Isophane insulin", "Isophane insuline", "Insulina isofana", "Insulin injection", "Isophane (aqueous suspension)", "Insulin, isophane", "Ins hum insulat", "Ins hum protaphane", "Ins humulin i", "Ins hypurin bov isop", "Ins hypurin pore isop", "Ins innolet insulat", "Ins insulat", "Ins insulat novolet", "Ins insuman basal", "Ins insuman basal optiset", "Ins insuman basal solostar", "Ins novolet hum protaphane", "Ins pork insulat", "Ins pur-in hum isop", "Penfill", "Insulin, isophane"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109046", "category": ["biolink:ChemicalEntity"], "name": "INSULIN, PROTAMINE ZINC", "synonym": ["Protamine zinc insulin", "Insulin, protamine zinc", "Protamine zinc insulin injection", "Prep. injectable d'insuline zinc protam.", "Inyectable de insulina cinc protamina", "Insulin zinc protamine injection (aqueous suspension)", "Ins hypurin bov prot zn", "Ins prot zn bp", "Prozinc", "Insulin, protamine zinc"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3833384", "category": ["biolink:ChemicalEntity"], "name": "EFLAPEGRASTIM", "synonym": ["Eflapegrastim", "Eflapegrastim", "Eflapegrastim-xnst", "Eflapegrastim", "Eflapegrastim", "HM-10460A", "HM10460A", "HNK-460", "HNK460", "SPI-2012", "SPL-2012", "Rolvedon", "Eflapegrastim"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594598", "category": ["biolink:ChemicalEntity"], "name": "EFTRENONACOG ALFA", "synonym": ["Eftrenonacog alfa", "Eftrenonacog alfa", "Eftrenonacog alfa", "Eftrenonacog alfa", "Alprolix", "Eftrenonacog alfa", "Rfixfc", "BIIB-029", "Alprolix"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108348", "category": ["biolink:ChemicalEntity"], "name": "NONACOG BETA PEGOL", "synonym": ["Nonacog beta pegol", "Nonacog beta pegol", "Nonacog beta pegol", "Nonacog beta pegol", "Rebinyn", "Refixia", "Refixia"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802176", "category": ["biolink:ChemicalEntity"], "name": "ONO-5334", "synonym": ["Ono-5334", "ONO-5334"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650368", "category": ["biolink:ChemicalEntity"], "name": "IRSENONTRINE", "xref": ["InChIKey:CKJDCNZBABIEBZ-HNNXBMFYSA-N", "SMILES:COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC4)c23)c1C"], "synonym": ["Irsenontrine", "E2027", "Irsenontrine", "E-2027", "E2027", "ER-592221-00", "Irsenontrine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297633", "category": ["biolink:ChemicalEntity"], "name": "SEPETAPROST", "xref": ["InChIKey:BKVUSNOUTQMSBE-XCMGCKIWSA-N", "SMILES:CC(C)OC(=O)CCC[C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](O)COc3cc(F)ccc3F)[C@H](O)C[C@@H]2OC1"], "synonym": ["Sepetaprost", "Ono-9054", "Sepetaprost", "DE-126", "ONO-9054", "STN-1012600", "STN1012600"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107361", "category": ["biolink:ChemicalEntity"], "name": "PELITREXOL", "xref": ["InChIKey:QXOPTIPQEVJERB-JQWIXIFHSA-N", "SMILES:Cc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2C1"], "synonym": ["Pelitrexol", "Pelitrexol", "AG-2037", "AG2037", "Pelitrexol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL206815", "category": ["biolink:ChemicalEntity"], "name": "APRATASTAT", "xref": ["InChIKey:MAVDNGWEBZTACC-HNNXBMFYSA-N", "SMILES:CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO"], "synonym": ["Apratastat", "Apratastat", "TMI-005", "TMI-05", "Apratastat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3833371", "category": ["biolink:ChemicalEntity"], "name": "UPRIFOSBUVIR", "xref": ["InChIKey:SFPFZQKYPOWCSI-KHFYHRBSSA-N", "SMILES:CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(Cl)[C@@H]1O)Oc1ccccc1"], "synonym": ["Uprifosbuvir", "Uprifosbuvir", "IDX-21437", "IDX21437", "MK-3682", "Uprifosbuvir"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1092581", "category": ["biolink:ChemicalEntity"], "name": "NESBUVIR", "xref": ["InChIKey:WTDWVLJJJOTABN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12"], "synonym": ["Nesbuvir", "Hcv 796", "Nesbuvir", "HCV-796", "HCV796", "Nesbuvir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303525", "category": ["biolink:ChemicalEntity"], "name": "OMAVELOXOLONE", "xref": ["InChIKey:RJCWBNBKOKFWNY-IDPLTSGASA-N", "SMILES:CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "synonym": ["Omaveloxolone", "Omaveloxolone", "Omaveloxolone", "Omaveloxolone", "Omaveloxolona", "Omaveloxolone", "Skyclarys", "RTA 408", "RTA-408", "Skyclarys", "Omaveloxolone"], "chembl_availability_type": "prescription only"}
{"name": "Nuclear factor erythroid 2-related factor 2", "xref": ["CHEMBL.TARGET:CHEMBL1075094"], "id": "UniProtKB:Q16236", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594517", "category": ["biolink:ChemicalEntity"], "name": "GILORALIMAB", "synonym": ["Giloralimab", "Abbv-927", "Giloralimab", "ABBV-927", "PR-1614645"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3653256", "category": ["biolink:ChemicalEntity"], "name": "SIREMADLIN", "xref": ["InChIKey:AGBSXNCBIWWLHD-FQEVSTJZSA-N", "SMILES:COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1"], "synonym": ["Siremadlin", "Siremadline", "Siremadlina", "Hdm 201", "Siremadlin", "HDM-201", "HDM201", "NVP-HDM 201", "Siremadlin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105763", "category": ["biolink:ChemicalEntity"], "name": "QUISINOSTAT", "xref": ["InChIKey:PAWIYAYFNXQGAP-UHFFFAOYSA-N", "SMILES:Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21"], "synonym": ["Quisinostat", "Quisinostat", "JNJ 26481585", "JNJ-26481585", "Quisinostat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1770916", "category": ["biolink:ChemicalEntity"], "name": "NIROGACESTAT", "xref": ["InChIKey:VFCRKLWBYMDAED-REWPJTCUSA-N", "SMILES:CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1"], "synonym": ["Nirogacestat", "Nirogacestat", "Nirogacestat", "PF 03084014", "PF 3084014", "PF-03084014", "PF-3084014", "Nirogacestat"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4466233", "category": ["biolink:ChemicalEntity"], "name": "PEMRAMETOSTAT", "xref": ["InChIKey:JLCCNYVTIWRPIZ-NRFANRHFSA-N", "SMILES:CC(=O)N1CCC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1"], "synonym": ["Pemrametostat", "Gsk 3326595", "Gsk-3326595", "Gsk3326595", "Pemrametostat", "EPZ-015938", "EPZ015938", "GSK-3326595A", "GSK3326595"]}
{"name": "Protein arginine N-methyltransferase 5", "xref": ["CHEMBL.TARGET:CHEMBL1795116"], "id": "UniProtKB:O14744", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802157", "category": ["biolink:ChemicalEntity"], "name": "ELINZANETANT", "xref": ["InChIKey:DWRIJNIPBUFCQS-DQEYMECFSA-N", "SMILES:Cc1cc(F)ccc1-c1cc(N2C[C@H]3COCCN3C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"], "synonym": ["Elinzanetant", "Bay3427080", "Elinzanetant", "BAY-3427080", "BAY3427080", "NT-814", "Elinzanetant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802193", "category": ["biolink:ChemicalEntity"], "name": "BELZUPACAP SAROTALOCAN", "synonym": ["Belzupacap sarotalocan", "Au-011", "Belzupacap sarotalocan", "Belzupacap serotalocan", "Hpv-np au-011", "Light-activated au-011", "Vnc au-011", "AU-011", "AU011", "VIRAL NANOPARTICLE CONJUGATES AU-011", "Belzupacap sarotalocan"]}
{"id": "CHEMBL.TARGET:CHEMBL4804221", "category": ["biolink:MolecularEntity"], "name": "Heparan Sulphate Proteoglycans"}
{"id": "CHEMBL.COMPOUND:CHEMBL57997", "category": ["biolink:ChemicalEntity"], "name": "T-62", "xref": ["InChIKey:OTZVBZFYMFTYKH-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2"], "synonym": ["T-62"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594485", "category": ["biolink:ChemicalEntity"], "name": "OLAPTESED PEGOL", "synonym": ["Olaptesed pegol", "Olaptesed pegol", "NOX-A12 FREE ACID"]}
{"name": "Stromal cell-derived factor 1", "xref": ["CHEMBL.TARGET:CHEMBL3286074"], "id": "UniProtKB:P48061", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297519", "category": ["biolink:ChemicalEntity"], "name": "NAFITHROMYCIN", "xref": ["InChIKey:RLFCSBSRGRJFRO-QAOQTAGDSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](/C(N)=N/O[C@@H](C)c3nnc(-c4ccccn4)s3)C(=O)O[C@@]21C"], "synonym": ["Nafithromycin", "Nafithromycine", "Nafitromicina", "Nafithromycin", "WCK-4873"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297453", "category": ["biolink:ChemicalEntity"], "name": "PM-00104", "xref": ["InChIKey:VPAHZSUNBOYNQY-DLVGLDQCSA-N", "SMILES:COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3Cc4c(OC(C)=O)c(C)c5c(c4[C@H](CNC(=O)/C=C/c4cccc(C(F)(F)F)c4)N3[C@@H](O)[C@H](C2)N1C)OCO5"], "synonym": ["Pm-00104", "Zalypsis", "PM00104"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297729", "category": ["biolink:ChemicalEntity"], "name": "COSIBELIMAB", "synonym": ["Cosibelimab", "Cosibelimab-ipdl", "Cosibelimab", "Ck-301", "Cosibelimab", "Tg-1501", "CK-301", "TG-1501", "Unloxcyt", "Cosibelimab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594536", "category": ["biolink:ChemicalEntity"], "name": "CS-1003", "synonym": ["Nofazinlimab", "Antibody cs1003", "Cs-1003", "Cs1003", "Recombinant pd-1 mab cs1003", "CS 1003", "CS-1003", "CS1003"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650482", "category": ["biolink:ChemicalEntity"], "name": "PIMIVALIMAB", "synonym": ["Pimivalimab", "Jtx 4014", "Jtx-4014", "Pimivalimab", "JTX-4014", "Pimivalimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277535", "category": ["biolink:ChemicalEntity"], "name": "BIFONAZOLE", "xref": ["InChIKey:OCAPBUJLXMYKEJ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1"], "synonym": ["Bifonazole", "Bifonazole", "Bifonazole", "Bifonazole", "Bifonazol", "Bifonazole", "Bifonazole", "Bifonazole", "BAY H 4502", "BAY-H-4502", "D01AC10", "NSC-758954", "Mycospor", "Bifonazole"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3330226", "category": ["biolink:ChemicalEntity"], "name": "MACOZINONE", "xref": ["InChIKey:BJDZBXGJNBMCAV-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCN(CC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"], "synonym": ["Macozinone", "Macozinona", "Macozinone", "PBTZ-169", "PBTZ169"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773683", "category": ["biolink:ChemicalEntity"], "name": "EZUTROMID", "xref": ["InChIKey:KSGCNXAZROJSNW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1"], "synonym": ["Ezutromid", "Ezutromid", "Smt c1100", "BMN 195", "BMN-195", "BMN195", "SMT-C1100", "SMTC-1100"], "chembl_natural_product": true}
{"name": "Utrophin", "xref": ["CHEMBL.TARGET:CHEMBL4523230"], "id": "UniProtKB:P46939", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650426", "category": ["biolink:ChemicalEntity"], "name": "PEGENZILEUKIN", "synonym": ["Pegenzileukin", "Pegenzileukine", "Pegenzileukina", "Il-2 variant thor-707", "Pegenzileukin", "Thor 707", "Thor-707", "SAR-444245", "SAR444245", "THOR-707", "THOR707", "Pegenzileukin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298079", "category": ["biolink:ChemicalEntity"], "name": "SEPHB4-HSA", "synonym": ["Recombinant ephb4-hsa fusion protein", "Sephb4-hsa", "SEPHB4HSA"]}
{"name": "Ephrin-B2", "xref": ["CHEMBL.TARGET:CHEMBL4804245"], "id": "UniProtKB:P52799", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650492", "category": ["biolink:ChemicalEntity"], "name": "UNASNEMAB", "synonym": ["Unasnemab", "Mt-3921", "Unasnemab", "MT-3921", "MT3921", "rH116A3", "Unasnemab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108328", "category": ["biolink:ChemicalEntity"], "name": "AMILOMOTIDE", "synonym": ["Amilomotide", "Amilomotida", "Amilomotide", "Cad106", "CAD-106", "CAD106"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558324", "category": ["biolink:ChemicalEntity"], "name": "LAZERTINIB", "xref": ["InChIKey:RRMJMHOQSALEJJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC)cc1N1CCOCC1"], "synonym": ["Lazertinib", "Lazertinib", "Lazertinib", "Yh25448", "C-18112003-G", "GNS-1480", "GNS1480", "JNJ-73841937-AAA", "YH-25448", "YH25448", "Lazertinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297764", "category": ["biolink:ChemicalEntity"], "name": "HETROMBOPAG OLAMINE", "synonym": ["Hetrombopag diolamine", "Hetrombopag ethanolamine", "Hetrombopag olamine", "Rafutrombopag olamine", "SHR-8735 OLAMINE", "SHR8735 OLAMINE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494480", "category": ["biolink:ChemicalEntity"], "name": "ADL-5859", "xref": ["InChIKey:OPIKUXLJQFYMSC-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1"], "synonym": ["Adl-5859"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105664", "category": ["biolink:ChemicalEntity"], "name": "TECARFARIN", "xref": ["InChIKey:QFLNTQDOVCLQKW-UHFFFAOYSA-N", "SMILES:CC(OC(=O)c1ccc(Cc2c(O)c3ccccc3oc2=O)cc1)(C(F)(F)F)C(F)(F)F"], "synonym": ["Tecarfarin", "Tecarfarine", "Tecarfarina", "Tecarfarin", "ATI-5923", "Tecarfarin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650337", "category": ["biolink:ChemicalEntity"], "name": "ULOTARONT", "xref": ["InChIKey:ABDDQTDRAHXHOC-QMMMGPOBSA-N", "SMILES:CNC[C@@H]1OCCc2ccsc21"], "synonym": ["Ulotaront", "Sep-363856", "Ulotaront", "SEP-363856", "SEP-856", "Ulotaront"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103772", "category": ["biolink:ChemicalEntity"], "name": "RACECADOTRIL", "xref": ["InChIKey:ODUOJXZPIYUATO-UHFFFAOYSA-N", "SMILES:CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1"], "synonym": ["Racecadotril", "Racecadotril", "Racecadotril", "Racecadotrilo", "Racecadotril", "Acetorphan", "Racecadotril", "Tiorfan", "Tiorfix", "NSC-759828", "Hidrasec"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL194378", "category": ["biolink:ChemicalEntity"], "name": "PSILOCYBIN", "xref": ["InChIKey:QVDSEJDULKLHCG-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12"], "synonym": ["Psilocybine", "Psilocybine", "Psilocybine", "Psilocibina", "Psilocybin", "Psilocybine", "Indocybin", "Psilocybin", "Psilocybine", "Teonanacatl", "COMP-360", "COMP360", "CY 39", "CY-39", "CY39", "Psilocybin"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3666807", "category": ["biolink:ChemicalEntity"], "name": "VELSECORAT", "xref": ["InChIKey:ZZWJKLGCDHYVMB-BWGXUDETSA-N", "SMILES:C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2"], "synonym": ["Velsecorat", "Azd 7594", "Azd7594", "Velsecorat", "AZD-7594", "AZD7594", "Velsecorat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594584", "category": ["biolink:ChemicalEntity"], "name": "ANTIHEMOPHILIC FACTOR, PEGYLATED (MW 20000) HUMAN SEQUENCE RECOMBINANT", "synonym": ["Antihemophilic factor, pegylated (mw 20000) human sequence recombinant", "Rurioctocog alfa pegol", "Rurioctocog alfa pegol", "Rurioctocog alfa pegol", "Rurioctocog alfa pegol", "Adynovate", "Adynovi", "Antihemophilic factor, pegylated (mw 20000) human sequence recombinant", "Pegylated recombinant factor viii", "Pegylated rfviii", "Rurioctocog alfa pegol", "Adynovi"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478858", "category": ["biolink:ChemicalEntity"], "name": "PACTIMIBE", "xref": ["InChIKey:TXIIZHHIOHVWJD-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21"], "synonym": ["Pactimibe", "Pactimiba", "Pactimibe"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4112929", "category": ["biolink:ChemicalEntity"], "name": "MILVEXIAN", "xref": ["InChIKey:FSWFYCYPTDLKON-CMJOXMDJSA-N", "SMILES:C[C@@H]1CCC[C@H](n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O"], "synonym": ["Milvexian", "Bms-986177", "Jnj-70033093", "Milvexian", "BMS 986177", "BMS-986177", "JNJ-70033093", "Milvexian"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4117187", "category": ["biolink:ChemicalEntity"], "name": "MASUPIRDINE", "xref": ["InChIKey:GWCYPEHWIZXYFZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br"], "synonym": ["Masupirdine", "Masupirdina", "Masupirdine", "Suvn-502", "SUVN-502"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297971", "category": ["biolink:ChemicalEntity"], "name": "PEPTIDE YY HUMAN (3-36)", "synonym": ["Peptide yy (3-36)", "Gt-001", "Human peptide yy (3-36)", "Peptide yy human (3-36)", "Pyy 3-36", "Pyy(3-36)", "Pyy3-36"]}
{"name": "Neuropeptide Y receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL4018"], "id": "UniProtKB:P49146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297849", "category": ["biolink:ChemicalEntity"], "name": "BAMOCAFTOR", "xref": ["InChIKey:IGEOJNMYRZUKIK-IBGZPJMESA-N", "SMILES:C[C@@H]1CN(c2nc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1"], "synonym": ["Bamocaftor", "Bamocaftor", "Vx-659", "VX-659", "VX659", "Bamocaftor"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76222", "category": ["biolink:ChemicalEntity"], "name": "REBIMASTAT", "xref": ["InChIKey:GTXSRFUZSLTDFX-HRCADAONSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C"], "synonym": ["Rebimastat", "Rebimastat", "BMS 275291-01", "BMS-275291", "BMS-275291-01", "D-2163", "D2163", "Rebimastat"], "chembl_natural_product": true}
{"name": "Sterol O-acyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL4465"], "id": "UniProtKB:O75908", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297223", "category": ["biolink:ChemicalEntity"], "name": "MITAPIVAT SULFATE", "xref": ["InChIKey:DMRIPASJCJRBMV-UHFFFAOYSA-N", "SMILES:O.O.O.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1.O=S(=O)(O)O"], "synonym": ["Mitapivat sulfate", "Mitapivat sulfate", "Mitapivat hemisulfate sesquihydrate", "Mitapivat sulfate", "Pyrukynd", "AG-348 HEMISULFATE SESQUIHYDRATE", "AG-348 sulfate hydrate", "Pyrukynd", "Mitapivat sulfate"], "chembl_availability_type": "prescription only"}
{"name": "Pyruvate kinase PKLR", "xref": ["CHEMBL.TARGET:CHEMBL1075126"], "id": "UniProtKB:P30613", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802159", "category": ["biolink:ChemicalEntity"], "name": "ENPATORAN", "xref": ["InChIKey:BJXYHBKEQFQVES-NWDGAFQWSA-N", "SMILES:N#Cc1ccc(N2C[C@H](N)C[C@H](C(F)(F)F)C2)c2cccnc12"], "synonym": ["Enpatoran", "Enpatoran", "M5049", "M-5049", "M5049", "Enpatoran"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297892", "category": ["biolink:ChemicalEntity"], "name": "ANVATABART OPADOTIN", "synonym": ["Anvatabart opadotin", "Anvatabart opadotine", "Anvatabart opadotina", "Anvatabart opadotin", "Arx 788", "Arx788", "ARX-788", "ARX788", "ARX788 ADC", "Anvatabart opadotin", "Anvatabart opafidotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106643", "category": ["biolink:ChemicalEntity"], "name": "MYCOPHENOLATE SODIUM", "xref": ["InChIKey:DOZYTHNHLLSNIK-JOKMOOFLSA-M", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)[O-])C(=O)OC2.[Na+]"], "synonym": ["Mycophenolic sod", "Mycophenolic sodium", "Mycophenolic acid sodium salt", "Mycophenolate sodium", "Sodium mycophenalate", "Sodium mycophenolate", "ERL 080", "ERL-080", "NSC-116072", "Ceptava", "Myfortic", "Mycophenolate sodium", "Mycophenolate sodium"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL471498", "category": ["biolink:ChemicalEntity"], "name": "MITIGLINIDE", "xref": ["InChIKey:WPGGHFDDFPHPOB-BBWFWOEESA-N", "SMILES:O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1"], "synonym": ["Mitiglinide", "Mitiglinide", "Mitiglinida", "Mitiglinide", "Mitiglinide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107873", "category": ["biolink:ChemicalEntity"], "name": "VONICOG ALFA", "synonym": ["Vonicog alfa", "Vonicog alfa", "Vonicog alfa", "Von willebrand factor (recombinant)", "Vonicog alfa", "Vonvendi", "BAX 111", "BAX-111", "Veyvondi", "Vonicog alfa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297257", "category": ["biolink:ChemicalEntity"], "name": "ALBUVIRTIDE", "xref": ["InChIKey:DJIGFNCGXOAXOW-WTPNCWHFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"], "synonym": ["Labuvirtide", "Labuvirtide", "Albuvirtide", "FB-006M"]}
{"name": "GP41", "synonym": ["Env polyprotein"], "xref": ["CHEMBL.TARGET:CHEMBL3559676"], "id": "UniProtKB:Q76270", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990001", "category": ["biolink:ChemicalEntity"], "name": "COSFROVIXIMAB", "synonym": ["Cosfroviximab", "Cosfroviximab", "13C6", "C13C6FR1", "c13C6-FR1", "Cosfroviximab component of mb-003  c13c6-fr1", "Cosfroviximab component of zmapp  c13c6", "Cosfroviximab component of zmapp  c13c6-fr1", "Cosfroviximab component of zmapp  c13c6fr1", "Zmapp", "Cosfroviximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42442", "category": ["biolink:ChemicalEntity"], "name": "OXFENDAZOLE", "xref": ["InChIKey:BEZZFPOZAYTVHN-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1"], "synonym": ["Oxfendazole", "Oxfendazole", "Oxfendazol", "Oxfendazole", "Oxfendazole", "Synanthic", "NSC-758943", "RS-8858", "Oxfendazole", "Oxfendazole"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4105630", "category": ["biolink:ChemicalEntity"], "name": "ZURANOLONE", "xref": ["InChIKey:HARRKNSQXBRBGZ-GVKWWOCJSA-N", "SMILES:C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C#N)cn4)CC[C@@H]32)C1"], "synonym": ["Zuranolone", "Zuranolone", "Zuranolone", "Sage-217", "Zuranolone", "S-812217", "SAGE-217", "SGE-797", "Zurzuvae", "Zuranolone"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527000", "category": ["biolink:ChemicalEntity"], "name": "E-7016", "xref": ["InChIKey:HAVFFEMDLROBGI-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2c3c(cccc13)Oc1ccc(CN3CCC(O)CC3)cc1-2"], "synonym": ["E 7016", "E-7016", "E7016", "GPI-21016"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650249", "category": ["biolink:ChemicalEntity"], "name": "IMDEVIMAB", "synonym": ["Imdevimab", "Imdevimab", "REGN-10987", "REGN10987", "Imdevimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802187", "category": ["biolink:ChemicalEntity"], "name": "ADINTREVIMAB", "synonym": ["Adintrevimab", "Adg 20", "Adg20", "Adintrevimab", "ADG-20", "ADG20", "Adintrevimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650383", "category": ["biolink:ChemicalEntity"], "name": "ROMLUSEVIMAB", "synonym": ["Romlusevimab", "Brii 198", "Brii-198", "Romlusevimab", "BRII-198", "BRII198", "Romlusevimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL136737", "category": ["biolink:ChemicalEntity"], "name": "NIMUSTINE", "xref": ["InChIKey:VFEDRRNHLBGPNN-UHFFFAOYSA-N", "SMILES:Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1"], "synonym": ["Nimustine", "Nimustine", "Nimustina", "Nimustine", "NSC-758675"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4802209", "category": ["biolink:ChemicalEntity"], "name": "INCB-086550", "synonym": ["Incb 086550", "Incb-086550", "Incb086550", "INCB-086550", "INCB086550"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650518", "category": ["biolink:ChemicalEntity"], "name": "PLONMARLIMAB", "synonym": ["Plonmarlimab", "Plonmarlimab", "Tj 003234", "Tj003234", "TJ-003234", "TJ003234", "TJM-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039547", "category": ["biolink:ChemicalEntity"], "name": "PEXASTIMOGENE DEVACIREPVEC", "synonym": ["Pexastimogene devacirepvec", "Pexastimogen devacirepvec", "Pexastimogene devacirepvec", "JX-594", "Pexastimogene devacirepvec"]}
{"name": "Cancer/testis antigen 1", "xref": ["CHEMBL.TARGET:CHEMBL4804257"], "id": "UniProtKB:P78358", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594330", "category": ["biolink:ChemicalEntity"], "name": "DAXDILIMAB", "synonym": ["Daxdilimab", "Daxdilimab", "Medi 7734", "Medi7734", "Vib-7734", "Vib7734", "HZN-7734", "MEDI-7734", "MEDI7734", "VIB7734", "Daxdilimab"]}
{"name": "Leukocyte immunoglobulin-like receptor subfamily A member 4", "xref": ["CHEMBL.TARGET:CHEMBL4804246"], "id": "UniProtKB:P59901", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594557", "category": ["biolink:ChemicalEntity"], "name": "EFTILAGIMOD ALFA", "synonym": ["Eftilagimod alfa", "Eftilagimod alfa", "Immufact", "Imp321", "IMP321"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134713", "category": ["biolink:ChemicalEntity"], "name": "GTS-21", "xref": ["InChIKey:RPYWXZCFYPVCNQ-RVDMUPIBSA-N", "SMILES:COc1ccc(/C=C2\\CCCN=C2c2cccnc2)c(OC)c1"], "synonym": ["3-(2,4-dimethoxybenzylidene)anabaseine", "Dimethoxybenzylidene anabaseine", "Dmxb-a", "Gts-21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4650452", "category": ["biolink:ChemicalEntity"], "name": "BNC-210", "synonym": ["Bnc-210", "Bnc210", "Iw-2143", "BNC-210", "BNC210"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274070", "category": ["biolink:ChemicalEntity"], "name": "9-AMINOCAMPTOTHECIN", "xref": ["InChIKey:FUXVKZWTXQUGMW-FQEVSTJZSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1"], "synonym": ["9-aminocamptothecin", "9-amino-20(s)-camptothecin", "9-aminocamptothecin", "Aminocamptothecin", "NSC-603071"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4802222", "category": ["biolink:ChemicalEntity"], "name": "OSTABOLIN-C", "synonym": ["Ostabolin-c", "Zt-031", "PTH-1-31 CYCLIC", "ZT-031"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267842", "category": ["biolink:ChemicalEntity"], "name": "PALTUSOTINE", "xref": ["InChIKey:GHILNKWBALQPDP-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O"], "synonym": ["Paltusotine", "Crn00808", "Paltusotine", "CRN-00808", "CRN00808", "Paltusotine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297622", "category": ["biolink:ChemicalEntity"], "name": "ROVATIRELIN", "xref": ["InChIKey:WTXWDXWZGJGIHV-URBCHYCLSA-N", "SMILES:C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)N1CCC[C@H]1C"], "synonym": ["Rovatirelin", "Rovatireline", "Rovatirelina", "Kps-0373", "Rovatirelin", "KPS-0373", "S-0373"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650256", "category": ["biolink:ChemicalEntity"], "name": "ZANIDATAMAB", "synonym": ["Zanidatamab", "Zanidatamab", "Zanidatamab-hrii", "Zanidatamab", "Zanidatamab", "ZW-25", "ZW25", "Ziihera", "Zanidatamab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297363", "category": ["biolink:ChemicalEntity"], "name": "UCB-1184197", "xref": ["InChIKey:QCYAXXZCQKMTMO-QFIPXVFZSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C12CCCCC2"], "synonym": ["Cdp323", "Ucb-1184197", "Zaurategrast ethyl ester", "CDP-323", "CDP323"], "chembl_prodrug": true}
{"name": "Integrin alpha-4", "xref": ["CHEMBL.TARGET:CHEMBL278"], "id": "UniProtKB:P13612", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650333", "category": ["biolink:ChemicalEntity"], "name": "SERALUTINIB", "xref": ["InChIKey:JHJNPOSPVGRIAN-SFHVURJKSA-N", "SMILES:COc1ccc(-c2cncc(N[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)cc1OC"], "synonym": ["Seralutinib", "Gb002", "Seralutinib", "GB-002", "GB002", "PK-10571", "Seralutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297830", "category": ["biolink:ChemicalEntity"], "name": "SOMATROGON", "synonym": ["Somatrogon", "Somatrogon", "Somatrogon", "Somatrogon-ghla", "Somatrogon", "Ctp-somatropin fusion protein", "Mod-4023", "Somatrogon", "Somatropin-ctp fusion protein", "MOD-4023", "MOD4023", "PF-06836922", "PF06836922", "Ngenla", "Somatrogon"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4110551", "category": ["biolink:ChemicalEntity"], "name": "SITOKIREN", "xref": ["InChIKey:GRTDDIZIUSADLD-CRAIPNDOSA-N", "SMILES:COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21"], "synonym": ["Sitokiren", "Sitokirene", "Sitokireno", "Sitokiren", "Sph-3127", "Sph3127", "SPH-3127", "SPH3127"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039538", "category": ["biolink:ChemicalEntity"], "name": "TRENONACOG ALFA", "synonym": ["Trenonacog alfa", "Trenonacog alfa", "IB-1001", "IB1001", "Ixinity[tm]", "Trenonacog alfa"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080062", "category": ["biolink:ChemicalEntity"], "name": "BFH-772", "xref": ["InChIKey:JNLSTLQFDDAULK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2cc(Oc3cc(CO)ncn3)ccc12"], "synonym": ["Bfh-772", "Bfh772", "BFH-722", "BFH-772", "BFH722", "BFH772"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297611", "category": ["biolink:ChemicalEntity"], "name": "VENGLUSTAT", "xref": ["InChIKey:YFHRCLAKZBDRHN-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)cc2)n1"], "synonym": ["Venglustat", "Genz-682452", "Gz402671", "Ibiglustat", "Venglustat", "GENZ-682452", "GZ-402671", "GZ/SAR-402671", "GZ/SAR402671", "GZ402671", "Genz-682452-AA", "SAR-402671", "SAR402671", "Venglustat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594334", "category": ["biolink:ChemicalEntity"], "name": "EPLONTERSEN", "synonym": ["Eplontersen", "Eplontersen", "Akcea ttr lrx", "Akcea-ttr-lrx", "Eplontersen", "Ion-ttr-lrx", "AKCEA-TTR-LRx", "ION-682884", "ION-682884 FREE ACID", "IONIS-TTR-LRx", "ISIS-682884 FREE ACID", "Eplontersen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314421", "category": ["biolink:ChemicalEntity"], "name": "AMELPARIB DIHYDROCHLORIDE DIHYDRATE", "xref": ["InChIKey:RYWIWBIJBCNLMR-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3.Cl.Cl.O.O"], "synonym": ["Amelparib dihydrochloride dihydrate", "Jpi-289", "JPI-289"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802152", "category": ["biolink:ChemicalEntity"], "name": "SENAPARIB", "xref": ["InChIKey:VBTUJTGLLREMNW-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cn2c(=O)[nH]c(=O)c3c(F)cccc32)ccc1F)N1CCN(c2ncccn2)CC1"], "synonym": ["Senaparib", "Imp4297", "Senaparib", "IMP-4297", "IMP4297"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594472", "category": ["biolink:ChemicalEntity"], "name": "BAFISONTAMAB", "synonym": ["Bafisontamab", "Bafisontamab", "Emb-01", "Emb01", "Fit-013a", "EMB-01", "FIT-013a", "Bafisontamab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297792", "category": ["biolink:ChemicalEntity"], "name": "MYRCLUDEX B", "synonym": ["Hbvpres2-48myr", "Myrcludex b"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095036", "category": ["biolink:ChemicalEntity"], "name": "AZENOSERTIB", "xref": ["InChIKey:OXTSYWDBUVRXFF-GDLZYMKVSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2"], "synonym": ["Azenosertib", "Azenosertib", "Azenosertib", "Azenosertib", "Zn-c3", "ZN-C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650989", "category": ["biolink:ChemicalEntity"], "name": "TALETRECTINIB", "xref": ["InChIKey:HEVHTYMYEMEBPX-HZPDHXFCSA-N", "SMILES:C[C@@H](N)COc1ccc(-c2cnc3ccc(N[C@H](C)c4cccc(F)c4)nn23)cc1"], "synonym": ["Taletrectinib", "Ab-106", "Taletrectinib", "AB-106", "DS-6051", "DS-6051a", "Taletrectinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746329", "category": ["biolink:ChemicalEntity"], "name": "SHR-4640", "xref": ["InChIKey:QGBWIYLNOBYNDL-UHFFFAOYSA-N", "SMILES:O=C(O)C1(Sc2ccnc3ccc(Br)cc23)CCC1"], "synonym": ["Ruzinurad", "Shr-4640", "Shr4640", "SHR-4640", "SHR4640"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650476", "category": ["biolink:ChemicalEntity"], "name": "COFIRASERSEN", "synonym": ["Cofirasersen", "Cofirasersen", "Ion-827359", "Ionis-enacrx", "ION-827359", "IONIS-ENACRX", "Cofirasersen"]}
{"id": "CHEMBL.TARGET:CHEMBL4834389", "category": ["biolink:NucleicAcidEntity"], "name": "Amiloride-sensitive sodium channel, ENaC mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298126", "category": ["biolink:ChemicalEntity"], "name": "VON WILLEBRAND FACTOR HUMAN", "synonym": ["Von willebrand factor", "Von willebrand factor human", "Human von willebrand factor", "Von willebrand factor", "Von willebrand factor (human)", "Von willebrand factor human", "Von willebrand factor human component of wilate", "Von willebrand factor, human", "Von willebrand's factor", "Von willebrand factor human component of voncento", "Von willebrand factor human component of voncento  von willebrand factor"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544975", "category": ["biolink:ChemicalEntity"], "name": "RELENOPRIDE", "xref": ["InChIKey:KGMMSPVVHZGPHL-NRFANRHFSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CC[C@H](OC(N)=O)c2ccc(F)cc2)CC1"], "synonym": ["Relenopride", "Relenoprida", "Relenopride", "YKP-10811", "YKP10811", "Relenopride"]}
{"name": "Protein E7", "xref": ["CHEMBL.TARGET:CHEMBL4630866"], "id": "UniProtKB:P03129", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:333760"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2375161", "category": ["biolink:ChemicalEntity"], "name": "SUROTOMYCIN", "xref": ["InChIKey:DYNMYYRPPFVAKR-ZXTAUSOFSA-N", "SMILES:CCCCCc1ccc(/C(C)=C/C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]2C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c3ccccc3N)C(=O)O[C@@H]2C)cc1"], "synonym": ["Surotomycin", "Surotomycine", "Surotomicina", "Surotomycin", "CB-183,315", "CB-183315", "Cb-183, 315", "Surotomycin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297218", "category": ["biolink:ChemicalEntity"], "name": "ROVAZOLAC", "xref": ["InChIKey:ZUMNJDGBYXHASJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1nc(C(F)(F)F)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1"], "synonym": ["Rovazolac", "Rovazolac", "ALX-101", "Rovazolac"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4116649", "category": ["biolink:ChemicalEntity"], "name": "LENUMLOSTAT", "xref": ["InChIKey:ODGXXYXJORZPHE-ZIAGYGMSSA-N", "SMILES:NCc1cc(Oc2cccc(C(=O)N3C[C@@H](O)[C@H](F)C3)c2)nc(C(F)(F)F)c1"], "synonym": ["Lenumlostat", "Lenumlostat", "Lenumlostat", "Lenumlostat", "Pat-1251", "PAT-1251"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297880", "category": ["biolink:ChemicalEntity"], "name": "EVORPACEPT", "synonym": ["Evorpacept", "Evorpacept", "Evorpacept", "Alx 148", "Alx-148", "Alx148", "Evorpacept", "Lggl-alx-148", "Sirpa variant alx148", "ALX-148", "ALX148", "Evorpacept"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297701", "category": ["biolink:ChemicalEntity"], "name": "BIO-11006", "synonym": ["Bio-11006", "BIO-11006"]}
{"name": "Myristoylated alanine-rich C-kinase substrate", "xref": ["CHEMBL.TARGET:CHEMBL4804244"], "id": "UniProtKB:P29966", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650301", "category": ["biolink:ChemicalEntity"], "name": "VALILTRAMIPROSATE", "xref": ["InChIKey:NRZRFNYKMSAZBI-ZETCQYMHSA-N", "SMILES:CC(C)[C@H](N)C(=O)NCCCS(=O)(=O)O"], "synonym": ["Valiltramiprosate", "Alz-801", "Valiltramiprosate", "ALZ-801", "BLU-8499", "BLU8499", "NRM-8499", "NRM8499", "Valiltramiprosate"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL113051", "category": ["biolink:ChemicalEntity"], "name": "GIMATECAN", "xref": ["InChIKey:UIVFUQKYVFCEKJ-OPTOVBNMSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C"], "synonym": ["Gimatecan", "Gimatecan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL73451", "category": ["biolink:ChemicalEntity"], "name": "MEQUITAZINE", "xref": ["InChIKey:HOKDBMAJZXIPGC-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2"], "synonym": ["Mequitazine", "Mequitazine", "Mequitazine", "Mequitazina", "Kitazemin", "NSC-303612", "Primalan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297572", "category": ["biolink:ChemicalEntity"], "name": "ABBV-3373", "synonym": ["Abbv-3373", "ABBV-3373"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46516", "category": ["biolink:ChemicalEntity"], "name": "FLUSPIRILENE", "xref": ["InChIKey:QOYHHIBFXOOADH-UHFFFAOYSA-N", "SMILES:O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2"], "synonym": ["Fluspirilene", "Fluspirilene", "Fluspirilene", "Fluspirilene", "Fluspirileno", "Fluspirilene", "Fluspirilene", "MCN-JR-6218", "R 6218", "R-6218", "Imap", "Redeptin", "Fluspirilene"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594549", "category": ["biolink:ChemicalEntity"], "name": "PIMURUTAMAB", "synonym": ["Pimurutamab", "Hlx07", "Pimurutamab", "HLX-07", "HLX07"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594401", "category": ["biolink:ChemicalEntity"], "name": "RAFUTROMBOPAG", "xref": ["InChIKey:BDGGFTDRPHKXFC-QYQHSDTDSA-N", "SMILES:CC1=NN(c2ccc3c(c2)CCCC3)C(=O)/C1=N\\Nc1cccc(-c2ccc(C(=O)O)o2)c1O"], "synonym": ["Rafutrombopag", "Rafutrombopag", "Rafutrombopag", "Hetrombopag", "Rafutrombopag", "SHR-8735", "SHR8735"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38434", "category": ["biolink:ChemicalEntity"], "name": "BREQUINAR", "xref": ["InChIKey:PHEZJEYUWHETKO-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O"], "synonym": ["Brequinar", "Brequinar", "Brequinar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108973", "category": ["biolink:ChemicalEntity"], "name": "INSULIN HUMAN, ISOPHANE", "synonym": ["Insulin human, isophane", "Insulin human, isophane", "Insulatard", "Protaphane", "Insulin human, isophane"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108492", "category": ["biolink:ChemicalEntity"], "name": "INSULIN ZINC, EXTENDED", "synonym": ["Insulin zinc suspension (crystalline)", "Insulin zinc suspension", "Insulin zinc suspension (crystalline)", "Suspension d'insuline zinc(cristallisee)", "Suspension de insulina cinc (cristal.)", "Crystalline (aqueous suspension)", "Insulin zinc injection", "Insulin zinc injection, crystalline (aqueous suspension)", "Insulin zinc, extended", "Ins humulin zn", "Ins ultrat", "Ins ultrat mc", "Insulin zinc, extended"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297399", "category": ["biolink:ChemicalEntity"], "name": "LY-2608204", "xref": ["InChIKey:QIIVJLHCZUTGSD-CUBQBAPOSA-N", "SMILES:O=C(Nc1ncc(SCCN2CCCC2)s1)[C@]1(c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C1CCCCC1"], "synonym": ["Globalagliatin", "Ly-2608204", "Ly2608204", "Sy-004", "LY2608204"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4802150", "category": ["biolink:ChemicalEntity"], "name": "NAVOCAFTOR", "xref": ["InChIKey:WOXOLLSAICIZNO-UHFFFAOYSA-N", "SMILES:Nc1cc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cnc1-c1nnc(CO)o1"], "synonym": ["Navocaftor", "Abbv-3067", "Navocaftor", "ABBV-3067", "GLPG-3067", "GLPG3067", "Navocaftor"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562318", "category": ["biolink:ChemicalEntity"], "name": "MARDEPODECT", "xref": ["InChIKey:AZEXWHKOMMASPA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1"], "synonym": ["Mardepodect", "Mardepodect", "MP-10", "PF-02545920", "PF-2545920", "Mardepodect"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594542", "category": ["biolink:ChemicalEntity"], "name": "EFLEPEDOCOKIN ALFA", "synonym": ["Eflepedocokin alfa", "Eflepedocokine alfa", "Eflepedocokina alfa", "Eflepedocokin alfa", "F 652", "F-652", "Il-22 dimer f-652", "Promenakin", "F-652", "F652"]}
{"id": "CHEMBL.TARGET:CHEMBL4804251", "category": ["biolink:MacromolecularComplex"], "name": "IL22 Receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650323", "category": ["biolink:ChemicalEntity"], "name": "TOLEBRUTINIB", "xref": ["InChIKey:KOEUOFPEZFUWRF-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1"], "synonym": ["Tolebrutinib", "Sar442168", "Tolebrutinib", "PRN-2246", "PRN2246", "SAR-442168", "SAR442168", "Tolebrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL303933", "category": ["biolink:ChemicalEntity"], "name": "PIPERAQUINE", "xref": ["InChIKey:UCRHFBCYFMIWHC-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1"], "synonym": ["Piperaquine", "Piperaquinoline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4650324", "category": ["biolink:ChemicalEntity"], "name": "VEBICORVIR", "xref": ["InChIKey:LBJVBJYMZKEREY-UHFFFAOYSA-N", "SMILES:O=C(NCc1cnc(C(F)(F)F)s1)c1ccc2c(c1)NC(=O)c1ccccc1S2(=O)=O"], "synonym": ["Vebicorvir", "Abi-h0731", "Vebicorvir", "ABI-H0731", "Vebicorvir"]}
{"name": "Core antigen", "synonym": ["Capsid protein"], "xref": ["CHEMBL.TARGET:CHEMBL1075091"], "id": "UniProtKB:Q03732", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10407"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303187", "category": ["biolink:ChemicalEntity"], "name": "SETANAXIB", "xref": ["InChIKey:RGYQPQARIQKJKH-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1"], "synonym": ["Setanaxib", "Setanaxib", "GKT-137831", "GKT-831"]}
{"name": "NADPH oxidase 1", "xref": ["CHEMBL.TARGET:CHEMBL1287628"], "id": "UniProtKB:Q9Y5S8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Trace amine-associated receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5857"], "id": "UniProtKB:Q96RJ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298117", "category": ["biolink:ChemicalEntity"], "name": "ORILANOLIMAB", "synonym": ["Orilanolimab", "Alxn1830", "Orilanolimab", "Synt001", "ALXN-1830", "ALXN1830", "SYNT-001", "SYNT001", "SYNT1001", "Orilanolimab"]}
{"name": "NADPH oxidase 4", "xref": ["CHEMBL.TARGET:CHEMBL1250375"], "id": "UniProtKB:Q9NPH5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545122", "category": ["biolink:ChemicalEntity"], "name": "DOLCANATIDE", "xref": ["InChIKey:WGEWYYPHYMGJNT-HLHYUOOASA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](N)CC(N)=O)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC1=O"], "synonym": ["Dolcanatide", "Dolcanatida", "Dolcanatide", "SP-333", "Dolcanatide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084173", "category": ["biolink:ChemicalEntity"], "name": "VILANTEROL .ALPHA.-PHENYL CINNAMATE", "xref": ["InChIKey:KAMFDHLRBHTIMJ-AZDLLSQWSA-N", "SMILES:O=C(O)/C(=C/c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O"], "synonym": ["Gw642444h", "Vilanterol .alpha.-phenyl cinnamate", "Vilanterol alpha-phenylcinnamate", "GW-642444H", "GW642444H"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297228", "category": ["biolink:ChemicalEntity"], "name": "BRIVOLIGIDE", "synonym": ["Brivoligide", "Brivoligida", "Brivoligide", "AYX-1", "AYX1", "Brivoligide"]}
{"name": "Early growth response protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3616355"], "id": "UniProtKB:P18146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989980", "category": ["biolink:ChemicalEntity"], "name": "LARCAVIXIMAB", "synonym": ["Larcaviximab", "Larcaviximab", "c4G7", "Larcaviximab component of zmap  c4g7", "Larcaviximab component of zmapp  c4g7", "Zmapp", "Larcaviximab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545305", "category": ["biolink:ChemicalEntity"], "name": "CIBINETIDE", "xref": ["InChIKey:WZTIQQBMSJTRBR-WYKNNRPVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O"], "synonym": ["Cibinetide", "Cibinetida", "Ara 290", "Ara290", "Cibinetide", "Ph-bsp", "Phbsp", "ARA 290", "ARA-290", "ARA290", "Cibinetide"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL4804252", "category": ["biolink:MacromolecularComplex"], "name": "Innate repair receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650424", "category": ["biolink:ChemicalEntity"], "name": "SVN53-67/M57-KLH PEPTIDE VACCINE", "synonym": ["Survaxm", "Svn53-67/m57-klh peptide vaccine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473159", "category": ["biolink:ChemicalEntity"], "name": "PHLOROGLUCINOL", "xref": ["InChIKey:QCDYQQDYXPDABM-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(O)c1"], "synonym": ["Phloroglucinol", "Phloroglucinol", "Phloroglucinol", "Phloroglucinol", "Benezene-1,3,5-triol", "Dilospan s", "Phloroglucin", "Phloroglucinol", "Sym-trihydroxybenzene", "NSC-1572", "Spasfon", "Spasfon-lyoc"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4567446", "category": ["biolink:ChemicalEntity"], "name": "CLESACOSTAT", "xref": ["InChIKey:LXZMHBHEXAELHH-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(cnn2C(C)C)C3)cc(-c2ccc(C(=O)O)cc2)n1"], "synonym": ["Clesacostat", "Clesacostat", "Pf-05221304", "PF-05221304", "PF05221304", "Clesacostat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594462", "category": ["biolink:ChemicalEntity"], "name": "BATIRAXCEPT", "synonym": ["Avb-s6-500", "Axl fc fusion protein avb-s6-500", "Batiraxcept", "AVB S6 500", "AVB-500", "AVB-S6-500", "AVBS6500", "Aravive-S6", "Ruga-S6", "S6-500c", "Batiraxcept"]}
{"name": "Growth arrest-specific protein 6", "xref": ["CHEMBL.TARGET:CHEMBL4804247"], "id": "UniProtKB:Q14393", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063705", "category": ["biolink:ChemicalEntity"], "name": "LFF-571", "xref": ["InChIKey:GNLYKLDXQZHYTR-LMOGNUDZSA-N", "SMILES:CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(N(CCCCC(=O)O)C(=O)O[C@H]4CC[C@H](C(=O)O)CC4)cs3)nc2-c2csc(n2)-c2csc(n2)[C@H]([C@@H](O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"], "synonym": ["Lff-571", "J3.333.591A", "LFF571"], "chembl_natural_product": true}
{"name": "Elongation factor Tu", "xref": ["CHEMBL.TARGET:CHEMBL4804248"], "id": "UniProtKB:Q18CE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272563"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594327", "category": ["biolink:ChemicalEntity"], "name": "BENTRACIMAB", "synonym": ["Bentracimab", "Bentracimab", "MEDI-2452", "MEDI2452", "PB-2452", "PB2452", "Bentracimab"]}
{"id": "CHEMBL.TARGET:CHEMBL4804250", "category": ["biolink:SmallMolecule"], "name": "Ticagrelor"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650334", "category": ["biolink:ChemicalEntity"], "name": "ALDUMASTAT", "xref": ["InChIKey:CMLVKUWQFZQPPS-YUNKPMOVSA-N", "SMILES:C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cc(F)cc(F)c1"], "synonym": ["Aldumastat", "Aldumastat", "Glpg1972", "G-504572", "G504572", "GLPG-1972", "GLPG1972", "S-201086", "S201086", "Aldumastat"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 5", "xref": ["CHEMBL.TARGET:CHEMBL2285"], "id": "UniProtKB:Q9UNA0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650495", "category": ["biolink:ChemicalEntity"], "name": "PEGSEBRENATIDE", "synonym": ["Pegsebrenatide", "Pegsebrenatide", "Pegsebrenatida", "Nly-01", "Nly01", "Pegsebrenatide", "NLY-01", "NLY01"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13828", "category": ["biolink:ChemicalEntity"], "name": "OXATOMIDE", "xref": ["InChIKey:BAINIUMDFURPJM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"], "synonym": ["Oxatomide", "Oxatomide", "Oxatomide", "Oxatomide", "Oxatomida", "Oxatomide", "Oxatomide", "Celtect", "Cobiona", "Dasten", "Oxatomide", "NSC-309710", "R 35,443", "R-35443", "Tinset", "Oxatomide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL591501", "category": ["biolink:ChemicalEntity"], "name": "PF-03049423", "xref": ["InChIKey:MNLNAGRCHNMKKJ-UHFFFAOYSA-N", "SMILES:CCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccc(OC)nc3)cc21"], "synonym": ["Pf-03049423"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1121", "category": ["biolink:ChemicalEntity"], "name": "SINCALIDE", "xref": ["InChIKey:IZTQOLKUZKXIRV-YRVFCXMDSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "synonym": ["Sincalide", "Sincalide", "Sincalide", "Sincalide", "Sincalida", "Cholecystokinin c-terminal octapeptide", "Sincalide", "Cck c-terminal octapeptide", "Cck-8", "Cck-8s", "Sincalide", "SQ 19844", "SQ-19844", "Kinevac", "Sincalide", "Sincalide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL284092", "category": ["biolink:ChemicalEntity"], "name": "GEPIRONE", "xref": ["InChIKey:QOIGKGMMAGJZNZ-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1"], "synonym": ["Gepirone", "Gepirone", "Gepirona", "Ariza", "Gepirone", "Mj-13805", "Variza", "BMY-13805", "ORG-13011", "ORG-33062 FREE BASE"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL395280", "category": ["biolink:ChemicalEntity"], "name": "HUPERZINE A", "xref": ["InChIKey:ZRJBHWIHUMBLCN-YQEJDHNASA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2"], "synonym": ["Huperzine a", "(-)-huperzine a", "(-)-selagine", "Huperzine a", "L-huperzine a", "Selagine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL76688", "category": ["biolink:ChemicalEntity"], "name": "SIVELESTAT", "xref": ["InChIKey:BTGNGJJLZOIYID-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1"], "synonym": ["Sivelestat", "Sivelestat", "Sivelestat", "LY-544349", "LY544349", "ONO-5046", "Sivelestat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594605", "category": ["biolink:ChemicalEntity"], "name": "OMFILOCTOCOG ALFA", "synonym": ["Omfiloctocog alfa", "Omfiloctocog alfa", "Sct800", "SCT-800", "SCT800"]}
{"name": "Multidrug resistance-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3004"], "id": "UniProtKB:P33527", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206492", "category": ["biolink:ChemicalEntity"], "name": "OSORESNONTRINE", "xref": ["InChIKey:BZTIJCSHNVZMES-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(Cc2ccccn2)nc2c1cnn2C1CCOCC1"], "synonym": ["Osoresnontrine", "Osoresnontrina", "Bi 409306", "Osoresnontrine", "BI 409306", "BI-409306", "SUB 166499"]}
{"name": "Disintegrin and metalloproteinase domain-containing protein 17", "xref": ["CHEMBL.TARGET:CHEMBL3706"], "id": "UniProtKB:P78536", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594298", "category": ["biolink:ChemicalEntity"], "name": "ENCEQUIDAR", "xref": ["InChIKey:AHJUHHDDCJQACA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2"], "synonym": ["Encequidar", "Encequidar", "Pgp inhibitor hm30181ak", "HM-30181", "HM30181", "HM30181AK", "Encequidar"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2104765", "category": ["biolink:ChemicalEntity"], "name": "TRIMEGESTONE", "xref": ["InChIKey:JUNDJWOLDSCTFK-MTZCLOFQSA-N", "SMILES:C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C"], "synonym": ["Trimegestone", "Trimegestone", "Trimegestona", "Trimegestone", "RU 27987", "RU-27987", "Trimegestone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105722", "category": ["biolink:ChemicalEntity"], "name": "NOMEGESTROL", "xref": ["InChIKey:KZUIYQJTUIACIG-YBZCJVABSA-N", "SMILES:CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"], "synonym": ["Nomegestrol", "Nomegestrol", "Nomegestrol", "Nomegestrol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1476022", "category": ["biolink:ChemicalEntity"], "name": "NOMEGESTROL ACETATE", "xref": ["InChIKey:IIVBFTNIGYRNQY-YQLZSBIMSA-N", "SMILES:CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"], "synonym": ["Nomac", "Nomegestrol acetate", "Zoely", "ORG 10486-0", "ORG-10486-0", "TX 066", "TX-066", "Ioa", "Nomegestrol acetate"], "chembl_natural_product": true}
{"name": "Baculoviral IAP repeat-containing protein 5", "xref": ["CHEMBL.TARGET:CHEMBL5989"], "id": "UniProtKB:O15392", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297527", "category": ["biolink:ChemicalEntity"], "name": "REVAMILAST", "xref": ["InChIKey:IXQHNBONEVULTL-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c2oc3ccncc3c12"], "synonym": ["Revamilast", "Revamilast"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107759", "category": ["biolink:ChemicalEntity"], "name": "MILATAXEL", "xref": ["InChIKey:GJQWFXNJAXOCBV-XVGNUGADSA-N", "SMILES:CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)C2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](CC(=O)OC(C)(C)C)c4ccco4)C(C)=C([C@@H](O)C(=O)[C@@]21C)C3(C)C"], "synonym": ["Milataxel", "Milataxel", "MAC-321"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1823872", "category": ["biolink:ChemicalEntity"], "name": "SOMATOSTATIN", "xref": ["InChIKey:NHXLMOGPVYXJNR-ATOGVRKGSA-N", "SMILES:C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"], "synonym": ["Somatostatin", "Somatostatin", "Somatostatine", "Somatostatina", "Somatostatin", "Somatostatin-14", "SRIF-14"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL128748", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYLCURCUMIN", "xref": ["InChIKey:ZMGUKFHHNQMKJI-CIOHCNBKSA-N", "SMILES:COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC"], "synonym": ["Dimethylcurcumin", "ASCJ-9", "CHC-004", "GO-Y-025", "Go-Y025"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095607", "category": ["biolink:ChemicalEntity"], "name": "REPROTEROL", "xref": ["InChIKey:WVLAAKXASPCBGT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(ncn2CCCNCC(O)c2cc(O)cc(O)c2)n(C)c1=O"], "synonym": ["Reproterol", "Reproterol", "Reproterol", "Reproterol", "Reproterol", "D-1959"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989996", "category": ["biolink:ChemicalEntity"], "name": "PORGAVIXIMAB", "synonym": ["Porgaviximab", "Porgaviximab", "c2G4", "Porgaviximab component of zmap  c2g4", "Porgaviximab component of zmapp  c2g4", "Zmapp", "Porgaviximab"]}
{"name": "3-hydroxy-3-methylglutaryl-coenzyme A reductase", "xref": ["CHEMBL.TARGET:CHEMBL4804261"], "id": "UniProtKB:Q10283", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:284812"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1447", "category": ["biolink:ChemicalEntity"], "name": "LINCOMYCIN", "xref": ["InChIKey:OJMMVQQUTAEWLP-KIDUDLJLSA-N", "SMILES:CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)N(C)C1"], "synonym": ["Lincomycin", "Lincomycin", "Lincomycin", "Lincomycine", "Lincomicina", "Lincomycin", "Lincolnensin", "Lincomycin", "U-10,149", "U-10149", "Lincomycin", "Lincomycin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297208", "category": ["biolink:ChemicalEntity"], "name": "TRIPLATIN TETRANITRATE", "synonym": ["Triplatin tetranitrate", "Tetranitrate de triplatine", "Tetranitrato de triplatino", "Bbr 3464", "Triplatin tetranitrate", "BBR-3464", "BBR3464"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108481", "category": ["biolink:ChemicalEntity"], "name": "ANCROD", "synonym": ["Ancrod", "Ancrod", "Ancrod", "Ancrod", "Acc-c", "Ancrod", "Arvin", "Arwin", "Ec 3.4.21.74", "Protein c activator", "Proteinase, agkistrodon serine", "Venombin-a", "Viprinex", "Ancrod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108131", "category": ["biolink:ChemicalEntity"], "name": "PLASMINOGEN", "synonym": ["Plasminogen", "Human plasminogen", "Plasma trypsinogen", "Plasminogen", "Profibrinolysin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594614", "category": ["biolink:ChemicalEntity"], "name": "SIBEPRENLIMAB", "synonym": ["Sibeprenlimab", "Sibeprenlimab", "Vis-649", "Vis649", "VIS-649", "VIS649", "Sibeprenlimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3311228", "category": ["biolink:ChemicalEntity"], "name": "OTESECONAZOLE", "xref": ["InChIKey:IDUYJRXRDSPPRC-NRFANRHFSA-N", "SMILES:O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1"], "synonym": ["Oteseconazole", "Oteseconazole", "Oteseconazole", "Oteseconazol", "Oteseconazole", "Vivjoa", "Vt-1161", "VT-1161", "Vivjoa", "Oteseconazole"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2219774", "category": ["biolink:ChemicalEntity"], "name": "GATAPARSEN", "synonym": ["Gataparsen", "Gataparsen", "LY-2181308", "LY2181308", "Gataparsen"]}
{"id": "CHEMBL.TARGET:CHEMBL4804249", "category": ["biolink:NucleicAcidEntity"], "name": "Survivin mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL435191", "category": ["biolink:ChemicalEntity"], "name": "EDOTECARIN", "xref": ["InChIKey:QMVPQBFHUJZJCS-NTKFZFFISA-N", "SMILES:O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO"], "synonym": ["Edotecarin", "Edotecarine", "Edotecarina", "Edotecarin", "Edotecarin", "J-107088", "PF-804950", "Edotecarin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743260", "category": ["biolink:ChemicalEntity"], "name": "KARENITECIN", "xref": ["InChIKey:SYXGVIWFCCQOEK-VWLOTQADSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CC[Si](C)(C)C)cccc3nc2-1"], "synonym": ["Karenitecin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297593", "category": ["biolink:ChemicalEntity"], "name": "ATECEGATRAN METOXIL", "xref": ["InChIKey:XSNMGLZVFNDDPW-ZWKOTPCHSA-N", "SMILES:CONC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)c2cc(Cl)cc(OC(F)F)c2)cc1"], "synonym": ["Atecegatran metoxil", "Atecegatran metoxilo", "Atecegatran fexenetil", "Atecegatran metoxil", "Azd 0837", "Azd0837", "AZD-0837", "AZD0837"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1082462", "category": ["biolink:ChemicalEntity"], "name": "DBPR-108", "xref": ["InChIKey:VQKSCYBKUIDZEI-STQMWFEESA-N", "SMILES:CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N"], "synonym": ["Prusogliptin", "Dbpr-108", "DBPR-108"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109204", "category": ["biolink:ChemicalEntity"], "name": "NADROPARIN CALCIUM", "synonym": ["Nadroparin", "Nadroparin calcium", "Nadroparine calcique", "Nadroparina calcica", "Fraxiparin", "Fraxiparina", "Fraxiparine", "Nadroparin calcium", "Seleparina", "Ultraparina", "CY 216", "CY-216"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107881", "category": ["biolink:ChemicalEntity"], "name": "REGRAMOSTIM", "synonym": ["Regramostim", "Regramostim", "Leucotropin glycoform gmc 89-107", "Regramostim", "GM-CSF", "GM-CSF (CHO CELL)", "GMC 89-107", "GMC-89-107", "RHGM-C", "RHGM-CSF", "Regramostim"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918017", "category": ["biolink:ChemicalEntity"], "name": "SELETRACETAM", "xref": ["InChIKey:ANWPENAPCIFDSZ-RQJHMYQMSA-N", "SMILES:CC[C@@H](C(N)=O)N1C[C@H](C=C(F)F)CC1=O"], "synonym": ["Seletracetam", "Seletracetam", "UCB 44212", "UCB-44212", "Seletracetam"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617964", "category": ["biolink:ChemicalEntity"], "name": "ALVELESTAT", "xref": ["InChIKey:QNQZWEGMKJBHEM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1"], "synonym": ["Alvelestat", "Alvelestat", "Azd9668", "Mph966", "AZD-9668", "AZD9668", "MPH-966", "MPH966"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594566", "category": ["biolink:ChemicalEntity"], "name": "ONGERICIMAB", "synonym": ["Ongericimab", "Js002", "Ongericimab", "JS 002", "JS-002"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108292", "category": ["biolink:ChemicalEntity"], "name": "EPTACOG ALFA PEGOL (ACTIVATED)", "synonym": ["Eptacog alfa pegol (activated)", "Eptacog alfa pegol (active)", "Eptacog alfa pegol (activado)", "Activated recombinant human factor vii, long acting", "Eptacog alfa pegol (activated)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297635", "category": ["biolink:ChemicalEntity"], "name": "SETOGEPRAM", "xref": ["InChIKey:PEGQOIGYZLJMIB-UHFFFAOYSA-N", "SMILES:CCCCCc1cccc(CC(=O)O)c1"], "synonym": ["Fezagepras", "Setogepram", "Fezagepras", "Fezagepras", "Pbi-4050", "Setogepram"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4299940", "category": ["biolink:ChemicalEntity"], "name": "MITAPIVAT", "xref": ["InChIKey:XAYGBKHKBBXDAK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1"], "synonym": ["Mitapivat", "Mitapivat", "Ag-348", "Mitapivat", "Pkr-in-1", "AG-348"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650469", "category": ["biolink:ChemicalEntity"], "name": "DEPEMOKIMAB", "synonym": ["Depemokimab", "Depemokimab", "Gsk3511294", "AQ-82742999", "AQ82742999", "GSK-3511294", "GSK3511294", "Depemokimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594612", "category": ["biolink:ChemicalEntity"], "name": "BEPRANEMAB", "synonym": ["Bepranemab", "Bepranemab", "Ucb0107", "UCB-0107", "UCB0107", "Bepranemab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572284", "category": ["biolink:ChemicalEntity"], "name": "OMBRABULIN", "xref": ["InChIKey:IXWNTLSTOZFSCM-YVACAVLKSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO"], "synonym": ["Ombrabulin", "Ombrabuline", "Ombrabulina", "Ave8062", "Ombrabulin", "AC7700", "AVE-8062", "AVE8062"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL460291", "category": ["biolink:ChemicalEntity"], "name": "LACIDIPINE", "xref": ["InChIKey:GKQPCPXONLDCMU-CCEZHUSRSA-N", "SMILES:CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C"], "synonym": ["Lacidipine", "Lacidipine", "Lacidipine", "Lacidipine", "Lacidipino", "Lacidipine", "Lacidipine", "3,3'-iminobispropylamine", "3,3'-iminodipropylamine", "4-azaheptamethylenediamine", "Dipropylamine, 3,3'-diamino-", "Dipropylenetriamine", "Lacidipine", "GR 43659X", "GR-43659X", "NSC-7773", "Caldine", "Molap", "Motens", "Lacidipine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297768", "category": ["biolink:ChemicalEntity"], "name": "IDRABIOTAPARINUX SODIUM", "synonym": ["Idrabiotaparinux sodium", "Idrabiotaparinux sodique", "Idrabiotaparinux sodico", "Idrabiotaparinux sodium", "Ssr-126517 sodium", "Ssr126517 sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594259", "category": ["biolink:ChemicalEntity"], "name": "TIOMOLIBDATE CHOLINE", "synonym": ["Alxn1840", "Atn-224", "Bis(choline) tetrathiomolybdate", "Bis(choline)tetrathiomolybdate", "Bis-choline tetrathiomolybdate", "Choline tetrathiomolybdate", "Tiomolibdate choline", "Wtx101", "ALXN-1840", "ALXN1840", "ATN-224", "WTX-101", "WTX101", "Tiomolibdate choline"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230329", "category": ["biolink:ChemicalEntity"], "name": "TIOMOLIBDATE ION", "synonym": ["Molybdenum sulfide (mos42-)", "Tetrathiomolybdate", "Tetrathiomolybdate (mos42-)", "Tetrathiomolybdate 2-ion", "Tetrathiomolybdate ion", "Tetrathiomolybdate(2-)", "Thiomolybdate (mos42-)", "Tiomolibdate ion"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106939", "category": ["biolink:ChemicalEntity"], "name": "POLIHEXANIDE", "xref": ["InChIKey:VAZJLPXFVQHDFB-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=N)NC(=N)N"], "synonym": ["Polihexanide", "Polihexanide", "Polihexanide", "Polihexanide", "Polihexanida", "Polihexanide", "Cosmocil cq", "Lavasept", "Microcare mbg", "Polihexanide", "Polihexanide hydrochloride", "Poly(hexamethylenebiguanide)", "Polyhexamethylene biguanide", "Purista", "Vantocil", "Akantior"]}
{"id": "CHEMBL.TARGET:CHEMBL4804260", "category": ["biolink:CellularComponent"], "name": "Cell membrane"}
{"id": "CHEMBL.COMPOUND:CHEMBL3639788", "category": ["biolink:ChemicalEntity"], "name": "TELAGLENASTAT", "xref": ["InChIKey:PRAAPINBUWJLGA-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1"], "synonym": ["Telaglenastat", "Telaglenastat", "CB-839", "Telaglenastat"]}
{"name": "Glutaminase kidney isoform, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2146302"], "id": "UniProtKB:O94925", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224436", "category": ["biolink:ChemicalEntity"], "name": "JOSAMYCIN", "xref": ["InChIKey:XJSFLOJWULLJQS-NGVXBBESSA-N", "SMILES:CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O"], "synonym": ["Josamycin", "Josamycin", "Josamycin", "Josamycine", "Josamicina", "Josamycin", "Josamycin propionate", "Josamycin", "Iosalide", "Jomybel", "Josamina", "Josamycin", "Kitasamycin a3", "Leucomycin a3", "Turimycin a5", "EN-141", "Josamycin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4650454", "category": ["biolink:ChemicalEntity"], "name": "ABDAVOMERAN", "synonym": ["Abdavomeran", "Abdavomeran", "Bnt162b1", "BNT-162B1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650462", "category": ["biolink:ChemicalEntity"], "name": "REGDANVIMAB", "synonym": ["Regdanvimab", "Regdanvimab", "Regdanvimab", "Ct-p59", "Regdanvimab", "CT-P59", "CTP-59", "CTP59", "Regkirona"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650248", "category": ["biolink:ChemicalEntity"], "name": "CASIRIVIMAB", "synonym": ["Casirivimab", "Casirivimab", "REGN-10933", "REGN10933", "Casirivimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297560", "category": ["biolink:ChemicalEntity"], "name": "GATIPOTUZUMAB", "synonym": ["Gatipotuzumab", "Gatipotuzumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650423", "category": ["biolink:ChemicalEntity"], "name": "DANBURSTOTUG", "synonym": ["Danburstotug", "Danburstotug", "Danburstotug", "Danburstotug", "Imc-001", "Sti-3031", "IMC-001", "IMC-001 (PROTEIN)", "STI-3031", "Danburstotug"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802198", "category": ["biolink:ChemicalEntity"], "name": "QUISOVALIMAB", "synonym": ["Quisovalimab", "Avtx-002", "Cerc 002", "Cerc-002", "Mdgn-002", "Quisovalimab", "AEVI-002", "AEVI002", "AVTX-002", "AVTX002", "CERC-002", "CERC002", "F-19", "KHK-252067", "MDGN-002", "MDGN002", "SAR-252067", "SAR252067", "Quisovalimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908318", "category": ["biolink:ChemicalEntity"], "name": "NEPADUTANT", "xref": ["InChIKey:NGCNKEZHGRXHNL-WVWQGFTISA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2"], "synonym": ["Nepadutant", "Nepadutant"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1921904", "category": ["biolink:ChemicalEntity"], "name": "AZD-9164", "xref": ["InChIKey:FNYFFCOCVNTJCD-NNMXADRKSA-N", "SMILES:C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccc(F)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1"], "synonym": ["Azd 9164", "Azd-9164", "Azd9164", "AZD9164", "J3.232.015E"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297447", "category": ["biolink:ChemicalEntity"], "name": "TRV-120027", "xref": ["InChIKey:XIEWFECSPPTVQN-KMIMAYJXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O"], "synonym": ["Sar-val-tyr-ile-his-pro-d-ala-oh", "Trv-120027", "Trv027", "Trv120027", "TRV 027", "TRV-027", "TRV027"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4802239", "category": ["biolink:ChemicalEntity"], "name": "MOBOCERTINIB SUCCINATE", "xref": ["InChIKey:YXYAEUMTJQGKHS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.O=C(O)CCC(=O)O"], "synonym": ["Mobocertinib succinate", "AP-32788 SUCCINATE", "AP32788 SUCCINATE", "TAK-788 SUCCINATE", "Exkivity"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650299", "category": ["biolink:ChemicalEntity"], "name": "HEPARIN", "synonym": ["Heparin", "Heparin", "Heparin", "Heparin", "Heparin porcine", "Heparin porcine intestinal mucosa", "Heparin, porcine", "B01AB10"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2109205", "category": ["biolink:ChemicalEntity"], "name": "COAGULATION FACTOR IX RECOMBINANT HUMAN", "synonym": ["Nonacog alfa", "Coagulation factor ix recombinant human", "Nonacog alfa", "Nonacog gamma", "Nonacog alfa", "Nonacog gamma", "Coagulation factor ix recombinant human", "Factor ix,recombinant", "Recombinant factor ix", "Benefix", "Rixubis", "Nonacog alfa", "Recombinant factor ix"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297945", "category": ["biolink:ChemicalEntity"], "name": "EFMOROCTOCOG ALFA", "synonym": ["Efmoroctocog alfa", "Efmoroctocog alfa", "Efraloctocog alfa", "Efmoroctocog alfa", "Elocta", "Eloctate", "Elocta"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297873", "category": ["biolink:ChemicalEntity"], "name": "OCTOCOG ALFA", "synonym": ["Octocog alfa", "Octocog alfa", "Octocog alfa", "Octocog alfa", "Factor viii octocog alfa", "Advate", "Antihemophilic factor, human recombinant", "Bay81-8973", "Factor viii (rdna)", "Factor viii, recombinant", "Octocog alfa", "BAY 14-2222", "BAY 81-8973", "BAY W 6240", "BAY-14-2222", "BAY-81-8973", "BAY-W-6240", "BAY81-8973", "Advate", "Helixate fs", "Helixate nexgen", "Helixate nextgen", "Iblias", "Kogenate", "Kogenate bayer", "Kogenate fs", "Kovaltry", "Recombinate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3673452", "category": ["biolink:ChemicalEntity"], "name": "GZ-389988", "xref": ["InChIKey:HVRWZFQFSQUILC-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)cc1"], "synonym": ["Gz-389988", "Gz389988", "GZ-389988", "GZ389988"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650405", "category": ["biolink:ChemicalEntity"], "name": "LERODALCIBEP", "synonym": ["Lerodalcibep", "Lerodalcibep"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802160", "category": ["biolink:ChemicalEntity"], "name": "DERSIMELAGON", "xref": ["InChIKey:MUNWOYRHJPWQNE-GMFUQMJFSA-N", "SMILES:COC[C@H]1CN(C(=O)[C@]2(F)CN(C3CCCC3)C[C@H]2c2ccc(OC)cc2)C[C@@H]1c1ccc(C(F)(F)F)cc1N1CCC(C(=O)O)CC1"], "synonym": ["Dersimelagon", "Dersimelagon", "Mt-7117", "MT-7117", "Dersimelagon"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545186", "category": ["biolink:ChemicalEntity"], "name": "FONADELPAR", "xref": ["InChIKey:WWKYLBGQYALEDL-UHFFFAOYSA-N", "SMILES:Cc1cc2c(CCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C(C)C)noc2cc1OCC(=O)O"], "synonym": ["Fonadelpar", "Fonadelpar", "NPS-005", "SJP-0035", "Fonadelpar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108334", "category": ["biolink:ChemicalEntity"], "name": "EPTACOG ALFA (ACTIVATED)", "synonym": ["Eptacog alfa (activated)", "Eptacog alfa (activated)", "Eptacog alfa", "Eptacog alfa (activated)", "Eptacog alfa (active)", "Eptacog alfa (activado)", "Activated recombinant human factor vii", "Coagulation factor viia (recombinant)", "Coagulation factor viia recombinant human", "Eptacog alfa (activated)", "Recombinant activated factor vii", "Novoseven"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086218", "category": ["biolink:ChemicalEntity"], "name": "VALSPODAR", "xref": ["InChIKey:YJDYDFNKCBANTM-QCWCSKBGSA-N", "SMILES:C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "synonym": ["Valspodar", "Valspodar", "Valspodar", "Valspodar", "PSC 833", "PSC833", "SDZ PSC 833", "SDZ-PSC 833", "Amdray", "Valspodar"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL382277", "category": ["biolink:ChemicalEntity"], "name": "EX-527", "xref": ["InChIKey:NYORQUCSPQVLTE-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCC2c3cc(Cl)ccc3NC12"], "synonym": ["Ex-527"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108282", "category": ["biolink:ChemicalEntity"], "name": "CATRIDECACOG", "synonym": ["Catridecacog", "Catridecacog", "Catridecacog", "Catridecacog", "Catridecacog", "Novothirteen", "Tretten", "Novothirteen"]}
{"name": "Coagulation factor XIII A chain", "xref": ["CHEMBL.TARGET:CHEMBL4530"], "id": "UniProtKB:P00488", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071864", "category": ["biolink:ChemicalEntity"], "name": "GSK2982772", "xref": ["InChIKey:LYPAFUINURXJSG-AWEZNQCLSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21"], "synonym": ["Gsk2982772"]}
{"name": "Receptor-interacting serine/threonine-protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5464"], "id": "UniProtKB:Q13546", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744254", "category": ["biolink:ChemicalEntity"], "name": "BERSACAPAVIR", "xref": ["InChIKey:SBVBIDUKSBJYEF-VIFPVBQESA-N", "SMILES:C[C@H](NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1)C(F)(F)F"], "synonym": ["Bersacapavir", "Bersacapavir", "Jnj-56136379", "JNJ-56136379", "JNJ-6379", "Bersacapavir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650332", "category": ["biolink:ChemicalEntity"], "name": "ETAVOPIVAT", "xref": ["InChIKey:KZFFYEPYCVDOGE-LJQANCHMSA-N", "SMILES:O=C([C@H](CO)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"], "synonym": ["Etavopivat", "Etavopivat", "Ft-4202", "FT-4202", "Etavopivat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650373", "category": ["biolink:ChemicalEntity"], "name": "APELIN", "synonym": ["Apelin"]}
{"name": "Apelin receptor", "xref": ["CHEMBL.TARGET:CHEMBL1628481"], "id": "UniProtKB:P35414", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650509", "category": ["biolink:ChemicalEntity"], "name": "MIBAVADEMAB", "synonym": ["Mibavademab", "Mibavademab", "Regn4461", "REGN-4461", "REGN4461"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594287", "category": ["biolink:ChemicalEntity"], "name": "ENSIFENTRINE", "xref": ["InChIKey:CSOBIBXVIYAXFM-BYNJWEBRSA-N", "SMILES:COc1cc2c(cc1OC)-c1c/c(=N\\c3c(C)cc(C)cc3C)n(CCNC(N)=O)c(=O)n1CC2"], "synonym": ["Ensifentrine", "Ensifentrine", "Ensifentrina", "Ensifentrine", "Ls-193,855", "Ls-193855", "RPL-554", "RPL554", "Ohtuvayre", "Ensifentrine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594445", "category": ["biolink:ChemicalEntity"], "name": "ABEPRAZAN", "xref": ["InChIKey:OUNXGNDVWVPCOL-UHFFFAOYSA-N", "SMILES:CNCc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccc(F)cc2F)c1OC"], "synonym": ["Fexuprazan", "Abeprazan", "Fexuprazan", "Abeprazan", "Dwp14012", "DWP-14012", "DWP14012"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989512", "category": ["biolink:ChemicalEntity"], "name": "SOBLIDOTIN", "xref": ["InChIKey:DZMVCVHATYROOS-ZBFGKEHZSA-N", "SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCc1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C"], "synonym": ["Soblidotin", "Soblidotine", "Soblidotina", "Soblidotin", "Auristatin pe", "Soblidotin", "TZT-1027"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297636", "category": ["biolink:ChemicalEntity"], "name": "PLOCABULIN", "xref": ["InChIKey:IEKGSKLKBICCHQ-BDOJOPHNSA-N", "SMILES:C/C=C\\C[C@@H](C/C=C\\NC(=O)[C@@H](NC(=O)/C=C\\C=C/C(C)=C/[C@H](C)[C@@H]1CC=C(OC)C(=O)O1)C(C)(C)C)OC(N)=O"], "synonym": ["Plocabulin", "Plocabuline", "Plocabulina", "Plocabulin", "Pm 060184", "Pm060184", "J3.348.355D", "PM-060184", "PM060184"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297220", "category": ["biolink:ChemicalEntity"], "name": "ASCIMINIB HYDROCHLORIDE", "xref": ["InChIKey:HGCOOPLEWPBLOY-PFEQFJNWSA-N", "SMILES:Cl.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1"], "synonym": ["Asciminib hydrochloride", "Asciminib hydrochloride", "Scemblix", "ABL001-AAA", "Scemblix", "Asciminib hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL312448", "category": ["biolink:ChemicalEntity"], "name": "XYLOMETAZOLINE", "xref": ["InChIKey:HUCJFAOMUPXHDK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1"], "synonym": ["Xylometazoline", "Xylometazoline", "Xilometazolina", "Xylometazoline", "Balminil", "Xylometazoline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2397415", "category": ["biolink:ChemicalEntity"], "name": "ZAVEGEPANT", "xref": ["InChIKey:JJVAPHYEOZSKJZ-JGCGQSQUSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12"], "synonym": ["Zavegepant", "Zavegepant", "Vazegepant", "Zavegepant", "BHV-3500", "BMS-742413", "BMS-742413-01", "Zavegepant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2107838", "category": ["biolink:MacromolecularComplex"], "name": "Calcitonin-gene-related peptide receptor, CALCRL/RAMP1"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650478", "category": ["biolink:ChemicalEntity"], "name": "SAPABLURSEN", "synonym": ["Sapablursen", "Ionis tmprss6-lrx", "Sapablursen", "IONIS-TMPRSS6-LRx", "ISIS 702843", "ISIS-702843", "Sapablursen"]}
{"id": "CHEMBL.TARGET:CHEMBL4834387", "category": ["biolink:NucleicAcidEntity"], "name": "Transmembrane protease serine 6 mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297312", "category": ["biolink:ChemicalEntity"], "name": "ORM-12741", "xref": ["InChIKey:OCUKPFWNSAAHRP-QZTJIDSGSA-N", "SMILES:COC[C@@]1(C)CCCN2CCc3c(oc4ccccc34)[C@@H]21"], "synonym": ["Orm-12741", "DB-105", "ORM-10921"], "chembl_natural_product": true}
{"name": "Alpha-2C adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL1916"], "id": "UniProtKB:P18825", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297862", "category": ["biolink:ChemicalEntity"], "name": "BOTULINUM TOXIN TYPE A", "synonym": ["Botulinum toxin type a", "Botulinum toxin type a", "Agn-151607", "Ant-1401", "Ant-1403", "Botulift", "Botulinum a toxin", "Botulinum toxin type a", "Btx-a", "Cunox", "Neuronox", "RTI-150", "RTI150", "Nuceiva"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594539", "category": ["biolink:ChemicalEntity"], "name": "TRENIBOTULINUMTOXINE", "synonym": ["Bontoxilysin-e", "Botulinum neurotoxin type e", "Botulinum toxin type e", "Eb-001", "Trenibotulinumtoxine", "AGN-151586", "BoNT/E", "EB-001", "Trenibotulinumtoxine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095035", "category": ["biolink:ChemicalEntity"], "name": "CAMLIPIXANT", "xref": ["InChIKey:SEHLMRJSQFAPCJ-HNNXBMFYSA-N", "SMILES:CNC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2C[C@H]2CN(C(=O)OC)CCO2)c(F)c1"], "synonym": ["Camlipixant", "Camlipixant", "Camlipixant", "Blu-5937", "Camlipixant", "AZ-13410937", "AZ13410937", "BLU-5937", "BLU5937", "NEO-5937", "NEO5937", "Camlipixant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802163", "category": ["biolink:ChemicalEntity"], "name": "NEZULCITINIB", "xref": ["InChIKey:VQIIUJSNIKEMCK-MHZLTWQESA-N", "SMILES:CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)C[C@@H](C(=O)N3CC(N(C)C)C3)N(C(C)C)C4)n[nH]c2c1"], "synonym": ["Nezulcitinib", "Nezulcitinib", "Td-0903", "TD-0903", "THRX-136377", "Nezulcitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989992", "category": ["biolink:ChemicalEntity"], "name": "PEGILODECAKIN", "synonym": ["Pegilodecakin", "Pegilodecakine", "Pegilodecakina", "Pegilodecakin", "AM-0010", "AM0010", "LY-3500518", "LY3500518", "Pegilodecakin"]}
{"id": "CHEMBL.TARGET:CHEMBL4804254", "category": ["biolink:MacromolecularComplex"], "name": "IL-10 receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108835", "category": ["biolink:ChemicalEntity"], "name": "ABETIMUS SODIUM", "synonym": ["Abetimus sodium", "Abetimus sodium", "LJP 394", "LJP-394", "Abetimus sodium"]}
{"id": "CHEMBL.TARGET:CHEMBL4804259", "category": ["biolink:MolecularEntity"], "name": "dsDNA antibodies"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068000", "category": ["biolink:ChemicalEntity"], "name": "IDROXIOLEIC ACID", "xref": ["InChIKey:JBSOOFITVPOOSY-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCC(O)C(=O)O"], "synonym": ["Idroxioleic acid", "Idroxioleic acid", "2-hydroxyoleic acid", "2-ohoa", "Minerval", "2-OHOA", "NFX-88", "NFX88", "SML-0256", "SML0256", "Idroxioleic acid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201484", "category": ["biolink:ChemicalEntity"], "name": "SODIUM POLYSTYRENE SULFONATE", "synonym": ["Polystyrene sulfonate", "Sodium polystyrene sulfonate", "Sodium polystyrene sulfonate", "Sodium polystyrene sulfonate", "Sodium polystyrene sulfonate", "Amberlite forte ir 120", "Amberlite ir 120", "Amberlite ir-120", "Amberlite ir120 h", "Amberlite irp-69", "Amberlite irp-69m", "Amberlite irp69", "Ir 120", "Polistirex acid", "Polystyrene sulfonic acid", "Polystyrene sulphonate", "Sodium polistirex", "Sodium polystyrene sulfonate", "Sodium polystyrene sulphonate", "Kalexate", "Kayexalate", "Kionex", "Resonium a", "Sodium polystyrene sulfonate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650491", "category": ["biolink:ChemicalEntity"], "name": "ELASOMERAN", "synonym": ["Elasomeran", "Elasomeran", "Elasomeran", "Elasomeran", "Cx-024414", "Elasomeran", "Moderna covid-19 vaccine rna", "Mrna-1273", "Spikevax mrna", "Tak-919", "CX-024414", "M-1273", "MRNA-1273", "TAK-919", "Spikevax (previously covid-19 vaccine moderna)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108705", "category": ["biolink:ChemicalEntity"], "name": "ASTUPROTIMUT-R", "synonym": ["Zastumotide", "Zastumotida", "Astuprotimut r", "Astuprotimut-r", "Hp3tut3x8x", "Mage a3 protein", "Mage a3 recombinant protein", "Mage-a3 asci", "Mage-a3 recombinant protein", "Zastumotide", "GSK-1572932A", "GSK-249553", "GSK1572932A", "MAGE-A3", "SB-249553", "Astuprotimut-r"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107143", "category": ["biolink:ChemicalEntity"], "name": "GLUFOSFAMIDE", "xref": ["InChIKey:PSVUJBVBCOISSP-SPFKKGSWSA-N", "SMILES:O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "synonym": ["Glufosfamide", "Glufosfamida", "Glufosfamide", "Glucosylifosfamide mustard", "Glufosfamide", "D 19575", "D-19575", "D19575"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2108351", "category": ["biolink:ChemicalEntity"], "name": "VOTUCALIS", "synonym": ["Votucalis", "Rev131", "Votucalis", "REV-131"]}
{"id": "CHEMBL.TARGET:CHEMBL4804241", "category": ["biolink:SmallMolecule"], "name": "Histamine"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650438", "category": ["biolink:ChemicalEntity"], "name": "OLEZARSEN", "synonym": ["Olezarsen", "Akcea-apociii-lrx", "Olezarsen", "AKCEA-APOCIII-LRx", "IONIS- APOCIII-LRx", "IONIS-APOCIII-LRX", "ISIS 678354", "ISIS-678354", "ISIS-APOCIII-LRX", "Olezarsen"]}
{"id": "CHEMBL.TARGET:CHEMBL4834388", "category": ["biolink:NucleicAcidEntity"], "name": "Apolipoprotein C-III mRNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200797", "category": ["biolink:ChemicalEntity"], "name": "TECHNETIUM TC 99M SUCCIMER", "synonym": ["Technetium (99mtc) succimer", "Technetium tc-99m succimer", "Technetium tc-99m succimer kit", "99mtc-dmsa", "Nephroscan", "Tc-99m dmsa", "Technetium tc 99m succimer", "Technetium tc-99m succimer", "Technetium-99 dimercaptosuccinate", "Technetium-99-dmsa", "Mpi dmsa kidney reagent", "Nephroscan"], "chembl_availability_type": "prescription only"}
{"name": "Alpha-2-macroglobulin", "xref": ["CHEMBL.TARGET:CHEMBL4295690"], "id": "UniProtKB:P01023", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297517", "category": ["biolink:ChemicalEntity"], "name": "MAVACAMTEN", "xref": ["InChIKey:RLCLASQCAPXVLM-NSHDSACASA-N", "SMILES:CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O"], "synonym": ["Mavacamten", "Mavacamten", "Mavacamten", "Mavacamten", "Camzyos", "Mavacamten", "Myk-461", "MYK-461", "SAR-439152", "Camzyos", "Mavacamten"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297951", "category": ["biolink:ChemicalEntity"], "name": "COAGULATION FACTOR X HUMAN", "synonym": ["Coagulation factor x", "Coagulation factor x human", "Human coagulation factor x", "Coagulation factor x human", "Coagulation factor x", "Coagulation factor x human", "Coagulation factor x, human", "Factor x", "Human coagulation factor x", "Human factor x", "Coagadex", "Coagulation factor x human component of balfaxar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095420", "category": ["biolink:ChemicalEntity"], "name": "TRIENTINE TETRAHYDROCHLORIDE", "xref": ["InChIKey:OKHMDSCYUWAQPT-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.Cl.NCCNCCNCCN"], "synonym": ["Trientine tetrahydrochloride", "Trientine tetrahydrochloride", "Trientine tetrahydrochloride", "NSC-158271", "TETA 4HCl", "Cuprior", "Cuvrior", "Trientine tetrahydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650216", "category": ["biolink:ChemicalEntity"], "name": "DARIDOREXANT HYDROCHLORIDE", "xref": ["InChIKey:HJVGDXBEMFHGKI-BQAIUKQQSA-N", "SMILES:COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl"], "synonym": ["Daridorexant hydrochloride", "Daridorexant hydrochloride", "Nemorexant hydrochloride", "Quviviq", "ACT-541468 HYDROCHLORIDE", "ACT-541468A", "Quviviq", "Daridorexant hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5095052", "category": ["biolink:ChemicalEntity"], "name": "INCLISIRAN SODIUM", "synonym": ["Inclisiran sodium", "Inclisiran sodium", "Leqvio sodium", "ALN-60212 SODIUM", "ALN-PCSSC SODIUM", "Leqvio"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594511", "category": ["biolink:ChemicalEntity"], "name": "VUTRISIRAN", "synonym": ["Vutrisiran", "Vutrisiran", "Votrisiran", "Vutrisiran", "ALN-65492", "ALN-TTRSC02", "ALN-TTRSC02 FREE ACID", "Vutrisiran"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594293", "category": ["biolink:ChemicalEntity"], "name": "ACALABRUTINIB MALEATE", "xref": ["InChIKey:JWEQLWMZHJSMEC-AFJTUFCWSA-N", "SMILES:CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.O=C(O)/C=C\\C(=O)O"], "synonym": ["Acalabrutinib maleate", "Acalabrutinib maleate", "Acalabrutinib maleate anhydrous", "Acalabrutinib maleate monohydrate", "Calquence maleate", "Calquence", "Acalabrutinib maleate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5095049", "category": ["biolink:ChemicalEntity"], "name": "PACRITINIB CITRATE", "xref": ["InChIKey:BAHHBHSHSRTKNK-BJILWQEISA-N", "SMILES:C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Pacritinib citrate", "SB-1518 CITRATE", "SB1518 CITRATE", "Vonjo"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989962", "category": ["biolink:ChemicalEntity"], "name": "PEMETREXED TROMETHAMINE", "xref": ["InChIKey:DUORKVZYABUEHW-AHJYMZSGSA-N", "SMILES:NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1.O.O"], "synonym": ["Pemetrexed tromethamine", "Pemetrexed ditromethamine", "Pemetrexed ditrometamol", "Pemetrexed ditromethamine dihydrate", "Pemetrexed tromethamine anhydrous", "Pemetrexed pfizer (previously known as pemetrexed hospira uk limited)", "Pemetrexed tromethamine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5095050", "category": ["biolink:ChemicalEntity"], "name": "FINGOLIMOD LAURYL SULFATE", "xref": ["InChIKey:XTLZVNMZICNQBB-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1"], "synonym": ["Fingolimod lauryl sulfate", "Tascenso", "Tascenso odt"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"name": "Thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL2555"], "id": "UniProtKB:P0A884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2135460", "category": ["biolink:ChemicalEntity"], "name": "TERLIPRESSIN", "xref": ["InChIKey:BENFXAYNYRLAIU-QSVFAHTRSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"], "synonym": ["Terlipressin", "Terlipressin", "Terlipressin", "Terlipressin acetate", "Terlipressin", "Terlipressine", "Terlipresina", "Terlipressin acetate", "Terlipressin", "Glycylpressin", "Glypressin", "Terlipressin", "Terlivaz", "Variquel", "Terlipressin"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL2111456", "category": ["biolink:ProteinFamily"], "name": "Vasopressin V1 receptor"}
{"id": "CHEMBL.COMPOUND:CHEMBL37161", "category": ["biolink:ChemicalEntity"], "name": "FENBENDAZOLE", "xref": ["InChIKey:HDDSHPAODJUKPD-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1"], "synonym": ["Fenbendazole", "Fenbendazole", "Fenbendazole", "Fenbendazole", "Fenbendazol", "Fenbendazole for veterinary use", "Panacur aquasol", "HOE 881V", "HOE 881Y", "HOE-881V", "HOE-881Y", "NSC-757824", "Panacur", "Panacur aquasol", "Fenbendazole", "Fenbendazole"], "chembl_natural_product": true}
{"name": "Tubulin beta chain", "xref": ["CHEMBL.TARGET:CHEMBL5058521"], "id": "UniProtKB:P05304", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5741"]}
{"name": "Tubulin beta chain", "xref": ["CHEMBL.TARGET:CHEMBL5058522"], "id": "UniProtKB:Q9GSR5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:58839"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594273", "category": ["biolink:ChemicalEntity"], "name": "ELACESTRANT HYDROCHLORIDE", "xref": ["InChIKey:XGFHYCAZOCBCRQ-FBHGDYMESA-N", "SMILES:CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1.Cl.Cl"], "synonym": ["Elacestrant hydrochloride", "Elacestrant dihydrochloride", "Elacestrant dihydrochloride", "Elacestrant hydrochloride", "Orserdu", "RAD-1901 DIHYDROCHLORIDE", "RAD1901 DIHYDROCHLORIDE", "RAD1901 hydrochloride", "Orserdu", "Elacestrant hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4298189", "category": ["biolink:ChemicalEntity"], "name": "ELADOCAGENE EXUPARVOVEC", "synonym": ["Eladocagene exuparvovec", "Eladocagene exuparvovec", "Eladocagene exuparvovec", "Eladocagene exuparvovec", "Eladocagen exuparvovec", "AGIL-AADC", "Kebilidi", "Upstaza", "Eladocagene exuparvovec"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL5303723", "category": ["biolink:NucleicAcidEntity"], "name": "DDC"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315055", "category": ["biolink:ChemicalEntity"], "name": "NALMEFENE HYDROCHLORIDE DIHYDRATE", "xref": ["InChIKey:XOBQQQVDLSMXCE-JVRGSUDVSA-N", "SMILES:C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl.O.O"], "synonym": ["Nalmefene hydrochloride dihydrate", "Nalmefene hydrochloride hydrate", "Selincro"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095451", "category": ["biolink:ChemicalEntity"], "name": "ETRANACOGENE DEZAPARVOVEC", "synonym": ["Etranacogene dezaparvovec", "Etranacogene dezaparvovec", "Etranacogene dezaparvovec-dlrb", "Hemgenix", "AAV5-hFIXco-Padua", "AMT-061", "Hemgenix", "Etranacogene dezaparvovec"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297579", "category": ["biolink:ChemicalEntity"], "name": "VALOCTOCOGENE ROXAPARVOVEC", "synonym": ["Valoctocogene roxaparvovec", "Valoctocogene roxaparvovec", "Valoctocogene roxaparvovec", "Valoctocogene roxaparvovec", "Valoctocogen roxaparvovec", "Valoctocogene roxaparvovec", "BMN-270", "BMN270", "Roctavian", "Valoctocogene roxaparvovec"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989909", "category": ["biolink:ChemicalEntity"], "name": "LENIOLISIB PHOSPHATE", "xref": ["InChIKey:XXEDEGOAYSGNPS-ZOWNYOTGSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1.O=P(O)(O)O"], "synonym": ["Leniolisib phosphate", "Cdz173", "Joenja", "Leniolisib monophosphate", "Leniolisib phosphate", "CDZ-173", "CDZ-173-AZ", "CDZ173", "CDZ173-AZ", "Joenja", "Leniolisib phosphate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650220", "category": ["biolink:ChemicalEntity"], "name": "ZAVEGEPANT HYDROCHLORIDE", "xref": ["InChIKey:VQDUWCSSPSOSNA-RYWNGCACSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12.Cl"], "synonym": ["Zavegepant hydrochloride", "Zavzpret", "BHV-3500 hydrochloride", "BMS-742413 hydrochloride", "BMS-742413-03", "Zavzpret", "Zavegepant hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4802135", "category": ["biolink:ChemicalEntity"], "name": "NIRMATRELVIR", "xref": ["InChIKey:LIENCHBZNNMNKG-OJFNHCPVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"], "synonym": ["Nirmatrelvir", "Nirmatrelvir", "Nirmatrelvir", "Nirmatrelvir", "Pf-07321332", "PF-07321332", "PF07321332", "Nirmatrelvir component of paxlovid", "Nirmatrelvir"], "chembl_availability_type": "prescription only"}
{"name": "Replicase polyprotein 1a", "xref": ["CHEMBL.TARGET:CHEMBL3927"], "id": "UniProtKB:P0C6U8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:694009"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989928", "category": ["biolink:ChemicalEntity"], "name": "REZAFUNGIN ACETATE", "xref": ["InChIKey:MXMWJAPNUIKPGF-YOFVRWEXSA-N", "SMILES:CC(=O)[O-].CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](OCC[N+](C)(C)C)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1"], "synonym": ["Rezafungin acetate", "Rezafungin acetate", "Rezafungin acetate", "Rezafungin acetate", "Acetate de rezafungine", "Acetato de rezafungina", "Biafungin acetate", "Rezafungin acetate", "CD-101 ACETATE", "CD101 acetate", "SP-3025 ACETATE", "Rezzayo", "Rezafungin acetate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL612867", "category": ["biolink:CellularOrganism"], "name": "Candida"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297378", "category": ["biolink:ChemicalEntity"], "name": "DURLOBACTAM SODIUM", "xref": ["InChIKey:WHHNOICWPZIYKI-IBTYICNHSA-M", "SMILES:CC1=C[C@@H]2CN(C(=O)N2OS(=O)(=O)[O-])[C@@H]1C(N)=O.[Na+]"], "synonym": ["Durlobactam sodium", "Durlobactam sodium", "Etx2514", "ETX-2514", "ETX-2514 SODIUM", "ETX2514", "ETX2514 sodium", "Durlobactam sodium component of xacduro", "Durlobactam sodium"], "chembl_availability_type": "prescription only"}
{"name": "Beta-lactamase", "xref": ["CHEMBL.TARGET:CHEMBL1075159"], "id": "UniProtKB:Q8RLA6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:470"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802249", "category": ["biolink:ChemicalEntity"], "name": "LENACAPAVIR SODIUM", "xref": ["InChIKey:SSXPGMNGIORJAQ-PZNXWHLTSA-M", "SMILES:CC(C)(C#Cc1ccc(-c2ccc(Cl)c3c([N-]S(C)(=O)=O)nn(CC(F)(F)F)c23)c([C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)n1)S(C)(=O)=O.[Na+]"], "synonym": ["Lenacapavir sodium", "Lenacapavir sodium", "GS-6207-02", "GS-HIV Na", "GS-HIV SODIUM", "Sunlenca", "Lenacapavir sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5095303", "category": ["biolink:ChemicalEntity"], "name": "VUTRISIRAN SODIUM", "synonym": ["Vutrisiran sodium", "Vutrisiran sodium", "Amvuttra", "Votrisiran sodium", "ALN-65492 SODIUM", "ALN-TTRSC02", "Amvuttra"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4802263", "category": ["biolink:ChemicalEntity"], "name": "CILTACABTAGENE AUTOLEUCEL", "synonym": ["Ciltacabtagene autoleucel", "Ciltacabtagene autoleucel", "Ciltacabtagene autoleucel", "JNJ-68284528", "JNJ-68284528(LCAR-B38M CAR-T cells)", "Carvykti", "Ciltacabtagene autoleucel"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650258", "category": ["biolink:ChemicalEntity"], "name": "CILGAVIMAB", "synonym": ["Cilgavimab", "2130", "AZD-1061", "AZD1061", "COV2-2130", "Cilgavimab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650265", "category": ["biolink:ChemicalEntity"], "name": "TIXAGEVIMAB", "synonym": ["Tixagevimab", "2196", "AZD-8895", "AZD8895", "COV2-2196", "Tixagevimab"]}
{"name": "Beta-lactamase", "xref": ["CHEMBL.TARGET:CHEMBL5223041"], "id": "UniProtKB:B5U1R8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:471"]}
{"name": "Beta-lactamase", "xref": ["CHEMBL.TARGET:CHEMBL5223042"], "id": "UniProtKB:D3JXP9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:106654"]}
{"name": "Beta-lactamase", "xref": ["CHEMBL.TARGET:CHEMBL5223043"], "id": "UniProtKB:C7ETQ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:48296"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201692", "category": ["biolink:ChemicalEntity"], "name": "FOLLITROPIN ALFA", "synonym": ["Follitropin alfa", "Follitropin alfa", "Follitropin alfa", "Follitropin alfa", "Follitropine alfa", "Folitropina alfa", "Follitropin .alpha.", "Follitropin alfa", "Follitropin alpha", "Gonal f", "Human fsh", "Bemfola", "Follitropin alfa component of pergoveris", "Gonal-f", "Gonal-f rff", "Gonal-f rff redi-ject", "Ovaleap"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4802165", "category": ["biolink:ChemicalEntity"], "name": "BEMARITUZUMAB", "synonym": ["Bemarituzumab", "Bemarituzumab", "FPA-144"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225072", "category": ["biolink:ChemicalEntity"], "name": "PEMETREXED", "xref": ["InChIKey:WBXPDJSOTKVWSJ-ZDUSSCGKSA-N", "SMILES:Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"], "synonym": ["Pemetrexed", "Pemetrexed", "Pemetrexed", "Pemetrexed", "Pemetrexed", "Pemetrexed", "Pemetrexed", "LY-231514", "LY231514", "NSC-698037", "Alimta", "Pemfexy"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2348780", "category": ["biolink:ChemicalEntity"], "name": "VAMOROLONE", "xref": ["InChIKey:ZYTXTXAMMDTYDQ-DGEXFFLYSA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO"], "synonym": ["Vamorolone", "Vamorolone", "Vamorolone", "Vamorolone", "Vamorolona", "9,11-dehydro dexamethasone", "9,11-dehydrodexamethasone acetate", "Vamorolone", "Vamorolone acetate", "Vbp-15 free alcohol", "VBP-15", "Agamree", "Vamorolone"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315064", "category": ["biolink:ChemicalEntity"], "name": "FOLLITROPIN DELTA", "synonym": ["Follitropin delta", "Follitropin delta", "FE 999049", "FE-999049", "FE-999049 (R-HFSH)", "FE-999049 (RECOMBINANT FSH)", "Rekovelle", "Follitropin delta"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067988", "category": ["biolink:ChemicalEntity"], "name": "RASAGILINE TARTRATE", "xref": ["InChIKey:YGKHOZXCTLKSLJ-KHAGDFGNSA-N", "SMILES:C#CCN[C@@H]1CCc2ccccc21.C#CCN[C@@H]1CCc2ccccc21.O=C(O)[C@H](O)[C@@H](O)C(=O)O"], "synonym": ["Rasagiline tartrate", "Rasagiline hemitartrate", "Rasagiline mylan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315050", "category": ["biolink:ChemicalEntity"], "name": "ATOSIBAN ACETATE", "xref": ["InChIKey:SVDWBHHCPXTODI-QIWYXCRTSA-N", "SMILES:CC(=O)O.CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1"], "synonym": ["Atosiban (as acetate)", "Atosiban acetate", "Atosiban acetate", "Atosiban sun", "Tractocile"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315076", "category": ["biolink:ChemicalEntity"], "name": "ALBUTREPENONACOG ALFA", "synonym": ["Albutrepenonacog alfa", "Albutrepenonacog alfa", "Csl654", "CSL-654", "Idelvion"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297950", "category": ["biolink:ChemicalEntity"], "name": "EFBEMALENOGRASTIM ALFA", "synonym": ["Efbemalenograstim alfa", "Efbemalenograstim alfa", "Efbemalenograstim alfa", "Efbemalenograstim alfa-vuxw", "Efbemalenograstim alfa", "Benegrastim", "Efbemalenograstim alfa", "F-627", "Rh g-csf fc fusion protein f-627", "F-627", "F627", "Ryzneuta", "Efbemalenograstim alfa"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315069", "category": ["biolink:ChemicalEntity"], "name": "DAMOCTOCOG ALFA PEGOL", "synonym": ["Damoctocog alfa pegol", "Antihemophilic factor (recombinant), pegylated aucl", "Damoctocog alfa pegol", "Jivi"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315071", "category": ["biolink:ChemicalEntity"], "name": "TUROCTOCOG ALFA PEGOL", "synonym": ["Turoctocog alfa pegol", "N8-gp", "Turoctocog alfa pegol", "Esperoct"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108319", "category": ["biolink:ChemicalEntity"], "name": "SIMOCTOCOG ALFA", "synonym": ["Simoctocog alfa", "Simoctocog alfa", "Human-cl rh fviii", "Nuwiq", "Simoctocog alfa", "Nuwiq", "Vihuma"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594603", "category": ["biolink:ChemicalEntity"], "name": "LONOCTOCOG ALFA", "synonym": ["Lonoctocog alfa", "Lonoctocog alfa", "Lonoctocog alfa", "Lonoctocog alfa", "Afstyla", "Lonoctocog alfa", "Rviii-singlechain", "CSL-627", "CSL627", "Afstyla"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108175", "category": ["biolink:ChemicalEntity"], "name": "HUMAN COAGULATION FACTOR VIII", "synonym": ["Human coagulation factor viii", "Antihemophilic factor", "Antihemophilic factor (human)", "Antihemophilic factor human", "Antihemophilic factor viii human", "Antihemophilic factor, human", "Antihemophilic factor,human", "Antihemophilic human plasma", "Factor viii (antihaemophilic factor)", "Factor viii (human)", "Factor viii, human", "Factorate", "Human coagulation factor viii", "Human coagulation factor viii component of wilate", "Hemofil m", "Human coagulation factor viii component of voncento", "Monoclate-p", "Antihemophilic factor"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315075", "category": ["biolink:ChemicalEntity"], "name": "SUSOCTOCOG ALFA", "synonym": ["Susoctocog alfa", "Susoctocog alfa", "BAX-802", "BAX802", "Obizur"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108286", "category": ["biolink:ChemicalEntity"], "name": "TUROCTOCOG ALFA", "synonym": ["Turoctocog alfa", "Turoctocog alfa", "Novoeight", "Turoctocog alfa", "NN-7008", "NN7008", "Novoeight"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109137", "category": ["biolink:ChemicalEntity"], "name": "MOROCTOCOG ALFA", "synonym": ["Moroctocog alfa", "Moroctocog alfa", "Moroctocog alfa", "Moroctocog alfa", "Moroctocog alfa", "Refacto", "Refacto-af", "Xyntha", "Refacto af"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989933", "category": ["biolink:ChemicalEntity"], "name": "ETRASIMOD ARGININE", "xref": ["InChIKey:GVPVVOSNDUAUKM-YMQOIHNTSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)O.O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21"], "synonym": ["Etrasimod arginine", "Etrasimod arginine", "APD-334 L-ARGININE", "APD334 L-Arginine", "Velsipity", "Etrasimod arginine"], "chembl_availability_type": "prescription only"}
{"name": "Sphingosine 1-phosphate receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL3230"], "id": "UniProtKB:O95977", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314649", "category": ["biolink:ChemicalEntity"], "name": "RITLECITINIB TOSYLATE", "xref": ["InChIKey:YOZLVAFWYLSRRN-VZXYPILPSA-N", "SMILES:C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C.Cc1ccc(S(=O)(=O)O)cc1"], "synonym": ["Ritlecitinib tosylate", "Ritlecitinib tosilate", "Pf-06651600 tosylate", "Ritlecitinib tosilate", "Ritlecitinib toslate", "Litfulo"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315049", "category": ["biolink:ChemicalEntity"], "name": "SITAGLIPTIN FUMARATE", "xref": ["InChIKey:YRKLLQIZVVYDQY-YLGLLLDBSA-N", "SMILES:N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O=C(O)/C=C\\C(=O)O"], "synonym": ["Sitagliptin fumarate", "Sitagliptin sun"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316040", "category": ["biolink:ChemicalEntity"], "name": "TEPOXALIN", "xref": ["InChIKey:XYKWNRUXCOIMFZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1"], "synonym": ["Tepoxalin", "Tepoxalin", "Tepoxaline", "Tepoxalina", "Zubrin", "ORF 20485", "ORF-20485", "RWJ 20485", "RWJ-20485", "Zubrin", "Tepoxalin"]}
{"name": "Prostaglandin G/H synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL4133"], "id": "UniProtKB:Q8HZR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28527", "category": ["biolink:ChemicalEntity"], "name": "MAVACOXIB", "xref": ["InChIKey:TTZNQDOUNXBMJV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1"], "synonym": ["Mavacoxib", "Mavacoxib", "Trocoxil", "PHA 739,521", "PHA-739521", "Trocoxil", "Mavacoxib"]}
{"name": "Cyclooxygenase-2", "synonym": ["Prostaglandin G/H synthase 2"], "xref": ["CHEMBL.TARGET:CHEMBL4033"], "id": "UniProtKB:Q8SPQ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL69998", "category": ["biolink:ChemicalEntity"], "name": "FIROCOXIB", "xref": ["InChIKey:FULAPETWGIGNMT-UHFFFAOYSA-N", "SMILES:CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1"], "synonym": ["Firocoxib", "Firocoxib", "Firocoxib", "Firocoxib (ema epar: veterinary)", "Librens", "Previcox", "ML-1,785,713", "ML-1785713", "NSC-758895", "Coxatab", "Equioxx", "Previcox", "Firocoxib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107774", "category": ["biolink:ChemicalEntity"], "name": "ROBENACOXIB", "xref": ["InChIKey:ZEXGDYFACFXQPF-UHFFFAOYSA-N", "SMILES:CCc1ccc(Nc2c(F)c(F)cc(F)c2F)c(CC(=O)O)c1"], "synonym": ["Robenacoxib", "Robenacoxib", "Onsior", "CGS 34975", "CGS-34975", "Onsior"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315060", "category": ["biolink:ChemicalEntity"], "name": "ENFLICOXIB", "xref": ["InChIKey:ZZMJXWXXMAAPLI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)CC2c2ccc(F)cc2F)cc1"], "synonym": ["Enflicoxib", "E-6087", "E-6087, (+/-)-", "Daxocox"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298138", "category": ["biolink:ChemicalEntity"], "name": "REPOTRECTINIB", "xref": ["InChIKey:FIKPXCOQUIZNHB-WDEREUQCSA-N", "SMILES:C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1"], "synonym": ["Repotrectinib", "Repotrectinib", "Repotrectinib", "Repotrectinib", "TPX-0005", "TRX-0005", "Augtyro", "Repotrectinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315078", "category": ["biolink:ChemicalEntity"], "name": "EPTACOG BETA (ACTIVATED)", "synonym": ["Eptacog beta (activated)", "Cevenfacta"]}
{"name": "Sphingosine 1-phosphate receptor 5", "xref": ["CHEMBL.TARGET:CHEMBL2274"], "id": "UniProtKB:Q9H228", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315080", "category": ["biolink:ChemicalEntity"], "name": "BULEVIRTIDE ACETATE", "synonym": ["Bulevirtide acetate", "Hepcludex"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109171", "category": ["biolink:ChemicalEntity"], "name": "DIBOTERMIN ALFA", "synonym": ["Dibotermin alfa", "Dibotermin alfa", "Dibotermin alfa", "Dibotermin alfa", "Nebotermin", "Dibotermine alfa", "Nebotermine", "Dibotermina alfa", "Nebotermina", "Dibotermin alfa", "Dibotermin", "Dibotermin alfa", "Inductos", "Rhbmp-2", "Inductos", "Truscient", "Dibotermin alfa"]}
{"name": "Bone morphogenetic protein receptor type-1A", "xref": ["CHEMBL.TARGET:CHEMBL5275"], "id": "UniProtKB:P36894", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108594", "category": ["biolink:ChemicalEntity"], "name": "EPTOTERMIN ALFA", "synonym": ["Eptotermin alfa", "Eptotermin alfa", "Eptotermin alfa", "Eptotermine alfa", "Eptotermina alfa", "Bmp-7", "Bone morphogenetic protein 7", "Eptotermin alfa", "Hbmp7", "Opgenra", "Osigraft", "Osteogenic protein 1", "Rh-polypeptide-52", "Opgenra", "Osigraft"]}
{"name": "Bone morphogenetic protein receptor type-2", "xref": ["CHEMBL.TARGET:CHEMBL5467"], "id": "UniProtKB:Q13873", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bone morphogenetic protein receptor type-1B", "xref": ["CHEMBL.TARGET:CHEMBL5476"], "id": "UniProtKB:O00238", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Activin receptor type-2A", "xref": ["CHEMBL.TARGET:CHEMBL5616"], "id": "UniProtKB:P27037", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Activin receptor type-1", "xref": ["CHEMBL.TARGET:CHEMBL5903"], "id": "UniProtKB:Q04771", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067998", "category": ["biolink:ChemicalEntity"], "name": "LASOFOXIFENE TARTRATE", "xref": ["InChIKey:INEHJXCWEVNEDZ-HBYDGSNJSA-N", "SMILES:O=C(O)C(O)C(O)C(=O)O.Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1"], "synonym": ["Lasofoxifene tartrate", "Fablyn", "Lasofoxifene d-tartrate", "Lasofoxifene tartrate", "Oporia", "CB-336156EB", "CP-336,156-CB", "CP-336156", "CP-336156-CB", "Fablyn", "Lasofoxifene tartrate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707243", "category": ["biolink:ChemicalEntity"], "name": "GLYCOPYRRONIUM TOSYLATE", "xref": ["InChIKey:UOWOLENSDISMPG-UHFFFAOYSA-M", "SMILES:C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.Cc1ccc(S(=O)(=O)[O-])cc1.O"], "synonym": ["Glycopyrronium tosylate", "Glycopyrronium tosilate hydrate", "Glycopyrronium tosilate hydrate", "Glycopyrronium tosylate monohydrate", "DRM-04", "DRM04", "Qbrexza", "Glycopyrronium tosylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315056", "category": ["biolink:ChemicalEntity"], "name": "NALOXONE HYDROCHLORIDE DIHYDRATE", "xref": ["InChIKey:TXMZWEASFRBVKY-IOQDSZRYSA-N", "SMILES:C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl.O.O"], "synonym": ["Naloxone hydrochloride dihydrate", "Naloxone chlorhydrate", "Naloxoni hydrochloridum dihydrate", "Naloxone hydrochloride dihydrate component of bunavail", "Naloxone hydrochloride dihydrate component of cassipa", "Nyxoid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455186", "category": ["biolink:ChemicalEntity"], "name": "TREOSULFAN", "xref": ["InChIKey:YCPOZVAOBBQLRI-WDSKDSINSA-N", "SMILES:CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O"], "synonym": ["Treosulfan", "Treosulfan", "Treosulfan", "Treosulfan", "Treosulfan", "Treosulfano", "L-threitol 1,4-dimethanesulfonate", "Threosulphan", "Treosulfan", "NSC-39069", "Grafapex", "Graftrevo", "Kepcondi", "Ovastat", "Trecondi", "Trecondyv", "Treograft", "Treosulfan"], "chembl_black_box_warning": "True", "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL542414", "category": ["biolink:ChemicalEntity"], "name": "DIFLOXACIN HYDROCHLORIDE", "xref": ["InChIKey:JFMGBGLSDVIOHL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1.Cl"], "synonym": ["Difloxacin hydrochloride", "Difloxacin monohydrochloride", "Difloxacin hcl", "Difloxacin hydrochloride", "Difloxacin monohydrochloride", "ABBOTT-56619", "NSC-759646", "Dicural", "Difloxacin hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256815", "category": ["biolink:ChemicalEntity"], "name": "PRADOFLOXACIN", "xref": ["InChIKey:LZLXHGFNOWILIY-APPDUMDISA-N", "SMILES:N#Cc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"], "synonym": ["Pradofloxacin", "Pradofloxacin", "Pradofloxacine", "Pradofloxacino", "Veraflox", "Veraflox"]}
{"id": "CHEMBL.COMPOUND:CHEMBL170052", "category": ["biolink:ChemicalEntity"], "name": "IBAFLOXACIN", "xref": ["InChIKey:DXKRGNXUIRKXNR-UHFFFAOYSA-N", "SMILES:Cc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1CCC3C"], "synonym": ["Ibafloxacin", "Ibafloxacin", "Ibafloxacin", "Ibafloxacine", "Ibafloxacino", "Ibaflin", "R 835", "R-835", "S 25930", "S-25930", "Ibaflin", "Ibafloxacin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222913", "category": ["biolink:ChemicalEntity"], "name": "CEFTIOFUR", "xref": ["InChIKey:ZBHXIWJRIFEVQY-IHMPYVIRSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1"], "synonym": ["Ceftiofur", "Ceftiofur", "Ceftiofur crystalline free acid", "Naxcel", "Naxcel"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989899", "category": ["biolink:ChemicalEntity"], "name": "PIRLIMYCIN HYDROCHLORIDE", "xref": ["InChIKey:CHAZSEMQYSZBFN-RWMVMHIMSA-N", "SMILES:CC[C@@H]1CCN[C@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)C1.Cl.O"], "synonym": ["Pirlimycin hydrochloride", "Pirlimycin hydrochloride hydrate", "Pirlimycin hcl", "Pirlimycin hydrochloride", "Pirlimycin hydrochloride hydrate", "U-57,930E", "U-57930E", "Pirsue", "Pirlimycin hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107342", "category": ["biolink:ChemicalEntity"], "name": "GAMITHROMYCIN", "xref": ["InChIKey:VWAMTBXLZPEDQO-UZSBJOJWSA-N", "SMILES:CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H]1C"], "synonym": ["Gamithromycin", "Gamithromycin", "Gamitromicina", "Zactran", "ML-1,709,460", "ML-1709460", "ML-460", "Zactran", "Gamithromycin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6067973", "category": ["biolink:ChemicalEntity"], "name": "TULATHROMYCIN", "synonym": ["Tulathromycin", "Tulathromycin", "Tulathromycine", "Tulatromicina", "Tulathromycin a", "Draxxin", "Tulathromycin a", "CP-472,295", "CP-472295", "CP-547,272", "Chanaxin", "Draxxin", "Increxxa", "Lydaxx", "Rexxolide", "Tulaven", "Tulinovet", "Tulissin", "Tulathromycin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039509", "category": ["biolink:ChemicalEntity"], "name": "TILDIPIROSIN", "xref": ["InChIKey:HNDXPZPJZGTJLJ-UEJFNEDBSA-N", "SMILES:CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCC2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1"], "synonym": ["Tildipirosin", "Tildipirosin", "Tildipirosine", "Tildipirosina", "Tildipirosin component of zuprevo", "Zuprevo", "Tildipirosin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105658", "category": ["biolink:ChemicalEntity"], "name": "TYLVALOSIN TARTRATE", "xref": ["InChIKey:OLLSDNUHBJHKJS-BXNSNTFUSA-N", "SMILES:CC[C@H]1OC(=O)C[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Tylvalosin tartrate", "Acetylisovaleryltylosin tartrate", "Acetylisovaleryltylosin tartrate", "Aivlosin", "Tylvalosin tartrate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315048", "category": ["biolink:ChemicalEntity"], "name": "ZILUCOPLAN SODIUM", "synonym": ["Zilucoplan sodium", "Zilucoplan sodium", "Zilbrysq"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315068", "category": ["biolink:ChemicalEntity"], "name": "DINUTUXIMAB BETA", "synonym": ["Dinutuximab beta", "Dinutuximab beta", "Qarziba (previously dinutuximab beta eusa and dinutuximab beta apeiron)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315081", "category": ["biolink:ChemicalEntity"], "name": "PATIROMER SORBITEX CALCIUM", "synonym": ["Patiromer sorbitex calcium", "Patiromer sorbitex calcium", "Patiromer glucitol calcium", "Patiromer sorbitex calcium", "RLY-5016S", "RLY5016S", "Veltassa"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2106309", "category": ["biolink:ChemicalEntity"], "name": "HYDROCORTISONE ACEPONATE", "xref": ["InChIKey:MFBMYAOAMQLLPK-FZNHGJLXSA-N", "SMILES:CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Hydrocortisone aceponate", "Hydrocortisone aceponate", "Hydrocortisone aceponate", "Aceponate d'hydrocortisone", "Aceponato de hidrocortisona", "Cortavance", "Efficort", "Alcort", "Cortaderm", "Cortavance", "Hydrocortisone aceponate component of easotic", "Hydrocortisone aceponate ecuphar (previously cortacare)"], "chembl_natural_product": true}
{"name": "Glucocorticoid receptor", "xref": ["CHEMBL.TARGET:CHEMBL4105966"], "id": "UniProtKB:A0A8C0QLS2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107186", "category": ["biolink:ChemicalEntity"], "name": "RESOCORTOL BUTYRATE", "xref": ["InChIKey:NYLJGSLNIOEAHY-FZNHGJLXSA-N", "SMILES:CCCC(=O)O[C@]1(C(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"], "synonym": ["Resocortol butyrate", "Resocortol", "Pruban", "Resocortol butyrate", "ALO 2184", "ALO 2184ORG7417", "ALO-2184", "ORG7417", "Pruban", "Resocortol butyrate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103737", "category": ["biolink:ChemicalEntity"], "name": "HYDROXOCOBALAMIN", "synonym": ["Hydroxocobalamin", "Hydroxocobalamin", "Hydroxocobalamin", "Hydroxocobalamin", "Hydroxocobalamin", "Hydroxocobalamin", "Hydroxocobalamine", "Hidroxocobalamina", "Hydroxocobalamin", "Hydroxocobalamin acetate", "Hydroxocobalamin", "Hydroxocobalamin", "Hydroxocobalamin anhydrous", "Hydroxocobalaminum anhydrous", "Hydroxocobemine", "Hydroxycobalamin", "Alpharedisol", "Cobalin-h", "Cyanokit", "Hepavit", "Hydroxocobalamin", "Hydroxomin", "Megamilbedoce", "Neo-cytamen", "Hydroxocobalamin", "Hydroxocobalamin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594329", "category": ["biolink:ChemicalEntity"], "name": "CIPAGLUCOSIDASE ALFA", "synonym": ["Cipaglucosidase alfa", "Cipaglucosidase alfa", "Cipaglucosidase alfa", "Cipaglucosidase alfa-atga", "Cipaglucosidase alfa", "Cipaglucosidase alfa", "AT GAA", "ATB-200", "ATB200", "Pombiliti", "Cipaglucosidase alfa"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "CD74-ROS1", "id": "CHEMBL.TARGET:CHEMBL4680046", "category": ["biolink:Protein"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315072", "category": ["biolink:ChemicalEntity"], "name": "BEDINVETMAB", "synonym": ["Bedinvetmab", "Librela"]}
{"name": "Beta-nerve growth factor", "xref": ["CHEMBL.TARGET:CHEMBL5303549"], "id": "UniProtKB:A0A8C0MBJ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2357192", "category": ["biolink:ChemicalEntity"], "name": "DESLORELIN ACETATE", "xref": ["InChIKey:LYCYLGFSIXIXAB-NUZRHMIVSA-N", "SMILES:CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1"], "synonym": ["Deslorelin acetate", "Suprelorin"]}
{"name": "Gonadotropin-releasing hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL5303550"], "id": "UniProtKB:Q9MZI6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990010", "category": ["biolink:ChemicalEntity"], "name": "FRUNEVETMAB", "synonym": ["Frunevetmab", "Frunevetmab", "NV-02", "Solensia", "Frunevetmab"]}
{"name": "Beta-nerve growth factor", "xref": ["CHEMBL.TARGET:CHEMBL5303552"], "id": "UniProtKB:A0A337SBN0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9685"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315070", "category": ["biolink:ChemicalEntity"], "name": "LOKIVETMAB", "synonym": ["Lokivetmab", "Lokivetmab (ema epar: veterinary)", "Cytopoint"]}
{"name": "Interleukin 31", "xref": ["CHEMBL.TARGET:CHEMBL5303553"], "id": "UniProtKB:C7G0W1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2111099", "category": ["biolink:ChemicalEntity"], "name": "MAROPITANT", "xref": ["InChIKey:OMPCVMLFFSQFIX-CONSDPRKSA-N", "SMILES:COc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1"], "synonym": ["Maropitant", "Maropitant", "Prevomax"]}
{"name": "Substance-P receptor", "xref": ["CHEMBL.TARGET:CHEMBL5303554"], "id": "UniProtKB:Q5DUB3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Substance-P receptor", "xref": ["CHEMBL.TARGET:CHEMBL5303555"], "id": "UniProtKB:M3W532", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9685"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105739", "category": ["biolink:ChemicalEntity"], "name": "OCLACITINIB MALEATE", "xref": ["InChIKey:VQIGDTLRBSNOBV-VQIYXBGXSA-N", "SMILES:CNS(=O)(=O)C[C@H]1CC[C@H](N(C)c2[nH]cnc3nccc2-3)CC1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Oclacitinib maleate", "Apoquel", "PF 03394197-11", "PF-03394197-11", "Apoquel", "Prolevare", "Oclacitinib maleate"]}
{"name": "Janus kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5303556"], "id": "UniProtKB:Q6QHH1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315059", "category": ["biolink:ChemicalEntity"], "name": "OSATERONE ACETATE", "xref": ["InChIKey:KKTIOMQDFOYCEN-OFUYBIASSA-N", "SMILES:CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@H]3CC[C@@]21C"], "synonym": ["Osaterone acetate", "Osaterone acetate ester", "2-oxochlormadinone acetate", "Osaterone acetate ester", "TZP-4238", "TZP4238", "Ypozane"]}
{"name": "Androgen receptor", "xref": ["CHEMBL.TARGET:CHEMBL5303557"], "id": "UniProtKB:Q9TT90", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Cyclooxygenase 2", "synonym": ["Prostaglandin G/H synthase 2"], "xref": ["CHEMBL.TARGET:CHEMBL5303558"], "id": "UniProtKB:A8QIU4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9685"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594268", "category": ["biolink:ChemicalEntity"], "name": "TASIPIMIDINE SULFATE", "xref": ["InChIKey:HZWPSPYSMWTZTG-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCOC2C1=NCCN1.O=S(=O)(O)O"], "synonym": ["Tasipimidine sulfate", "ODM-105 SULFATE", "ODM-105 sulphate", "Tessie", "Tasipimidine sulfate"]}
{"name": "Alpha-2A adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL5303559"], "id": "UniProtKB:Q4ZHP8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Arachidonate 5-lipoxygenase", "synonym": ["Polyunsaturated fatty acid 5-lipoxygenase"], "xref": ["CHEMBL.TARGET:CHEMBL5303560"], "id": "UniProtKB:A0A8I3SA30", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103833", "category": ["biolink:ChemicalEntity"], "name": "TOCERANIB PHOSPHATE", "xref": ["InChIKey:AOORBROPMMRREB-HBPAQXCTSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1.O=P(O)(O)O"], "synonym": ["Toceranib phosphate", "PHA-291639E", "Palladia", "Toceranib phosphate"]}
{"name": "receptor protein-tyrosine kinase", "synonym": ["Vascular endothelial growth factor receptor 2"], "xref": ["CHEMBL.TARGET:CHEMBL5303561"], "id": "UniProtKB:Q2XPT7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Platelet-derived growth factor receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL5303562"], "id": "UniProtKB:Q6QNF3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Mast/stem cell growth factor receptor Kit", "xref": ["CHEMBL.TARGET:CHEMBL5303563"], "id": "UniProtKB:O97799", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315073", "category": ["biolink:ChemicalEntity"], "name": "TRIPTORELIN ACETATE", "synonym": ["Triptorelin acetate", "Triptorelin acetate", "Ovugel"]}
{"name": "Gonadotropin-releasing hormone receptor", "synonym": ["Ubiquitin-like modifier-activating enzyme 6"], "xref": ["CHEMBL.TARGET:CHEMBL5303564"], "id": "UniProtKB:A0A287BRW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104464", "category": ["biolink:ChemicalEntity"], "name": "VEDAPROFEN", "xref": ["InChIKey:VZUGVMQFWFVFBX-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(C2CCCCC2)c2ccccc12"], "synonym": ["Vedaprofen", "Vedaprofen", "Vedaprofen", "Vedaprofene", "Vedaprofeno", "Quadrisol", "Vedaprofen for veterinary use", "CERM 10202", "CERM-10202", "CERM10202", "PM 150", "PM-150", "PM150", "Quadrisol", "Vedaprofen"]}
{"name": "Cyclooxygenase-1", "xref": ["CHEMBL.TARGET:CHEMBL5303565"], "id": "UniProtKB:Q9N2C8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9796"]}
{"name": "Prostaglandin G/H synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL5303566"], "id": "UniProtKB:O19183", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9796"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410414", "category": ["biolink:ChemicalEntity"], "name": "DIRLOTAPIDE", "xref": ["InChIKey:TUOSYWCFRFNJBS-BHVANESWSA-N", "SMILES:CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1"], "synonym": ["Dirlotapide", "Dirlotapide", "Dirlotapida", "Dirlotapide", "Dirlotapide", "Slentrol", "CP-742,033", "CP-742033", "Slentrol", "Dirlotapide"]}
{"id": "CHEMBL.TARGET:CHEMBL5303567", "category": ["biolink:MacromolecularComplex"], "name": "Microsomal triglyceride transfer protein"}
{"id": "CHEMBL.COMPOUND:CHEMBL2104975", "category": ["biolink:ChemicalEntity"], "name": "MITRATAPIDE", "xref": ["InChIKey:HQSRVYUCBOCBLY-XOOFNSLWSA-N", "SMILES:CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](CSc6nncn6C)(c6ccc(Cl)cc6)O5)cc4)CC3)cc2)c1=O"], "synonym": ["Mitratapide", "Mitratapide", "Mitratapida", "Yarvitan", "R-103757", "R103757", "Yarvitan", "Mitratapide"]}
{"name": "ROS1-SDC4", "id": "CHEMBL.TARGET:CHEMBL5303568", "category": ["biolink:Protein"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204240", "category": ["biolink:ChemicalEntity"], "name": "IMEPITOIN", "xref": ["InChIKey:IQHYCZKIFIHTAI-UHFFFAOYSA-N", "SMILES:O=C1N=C(N2CCOCC2)CN1c1ccc(Cl)cc1"], "synonym": ["Imepitoin", "Imepition", "Pexion"]}
{"id": "CHEMBL.TARGET:CHEMBL5303569", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; anion channel"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989916", "category": ["biolink:ChemicalEntity"], "name": "TIGILANOL TIGLATE", "xref": ["InChIKey:YLQZMOUMDYVSQR-FOWZUWBHSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@@H]3C(C)(C)[C@]13OC(=O)[C@@H](C)CC)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]12"], "synonym": ["Tigilanol tiglate", "Tigilanol tiglate", "Tiglate de tigilanol", "Toglato de tigilanol", "Tigilanol tiglate", "EBC-46", "EBI-46", "Stelfonta", "Tigilanol tiglate"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL5303570", "category": ["biolink:ProteinFamily"], "name": "Protein kinase C (PKC)"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105420", "category": ["biolink:ChemicalEntity"], "name": "TAUROLIDINE", "xref": ["InChIKey:AJKIRUJIDFJUKJ-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1"], "synonym": ["Taurolidine", "Taurolidine", "Taurolidine", "Taurolidine", "Taurolidina", "Taurolidine", "(cyclo)-taurolidine", "Cyclo-taurolidine", "Taurolidine", "W-3100M", "Taurolidine component of defencath", "Taurolidine component of taurolock"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.TARGET:CHEMBL5303716", "category": ["biolink:CellularComponent"], "name": "Cell wall"}
{"id": "CHEMBL.COMPOUND:CHEMBL4802262", "category": ["biolink:ChemicalEntity"], "name": "ATIDARSAGENE AUTOTEMCEL", "synonym": ["Atidarsagene autotemcel", "Atidarsagene autotemcel", "Atidarsagene autotemcel", "OTL-200", "Lenmeldy", "Libmeldy", "Atidarsagene autotemcel"]}
{"id": "CHEMBL.TARGET:CHEMBL5303721", "category": ["biolink:NucleicAcidEntity"], "name": "ARSA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594333", "category": ["biolink:ChemicalEntity"], "name": "ELIVALDOGENE AUTOTEMCEL", "synonym": ["Elivaldogene autotemcel", "Elivaldogene autotemcel", "Elivaldogene autotemcel", "Elivaldogen autotemcel", "Lenti-D Drug substance", "Skysona", "Elivaldogene autotemcel"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.TARGET:CHEMBL5303722", "category": ["biolink:NucleicAcidEntity"], "name": "ABCD1"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315093", "category": ["biolink:ChemicalEntity"], "name": "AUTOLOGOUS CD34+ ENRICHED CELL FRACTION THAT CONTAINS CD34+ CELLS TRANSDUCED WITH RETROVIRAL VECTOR THAT ENCODES FOR THE HUMAN ADA CDNA SEQUENCE", "synonym": ["Autologous cd34+ enriched cell fraction that contains cd34+ cells transduced with retroviral vector that encodes for the human ada cdna sequence", "Strimvelis"]}
{"id": "CHEMBL.TARGET:CHEMBL5303724", "category": ["biolink:NucleicAcidEntity"], "name": "ADA"}
{"id": "CHEMBL.COMPOUND:CHEMBL1257073", "category": ["biolink:ChemicalEntity"], "name": "TECOVIRIMAT", "xref": ["InChIKey:CSKDFZIMJXRJGH-VWLPUNTISA-N", "SMILES:O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C1=O)c1ccc(C(F)(F)F)cc1"], "synonym": ["Tecovirimat", "Tecovirimat", "Tecovirimat", "Tecovirimat", "Tecovirimat", "SIGA-246", "ST 246", "ST-246", "Tpoxx", "Tecovirimat"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL535", "category": ["biolink:ChemicalEntity"], "name": "SUNITINIB", "xref": ["InChIKey:WINHZLLDWRZWRT-ATVHPVEESA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C"], "synonym": ["Sunitinib", "Sunitinib", "Sunitinib", "Sunitinib", "Sunitinib", "Sunitinib", "NSC-736511", "NSC-750690", "SU-011248", "SU-11248", "SU011248", "Sunitinib accord"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108350", "category": ["biolink:ChemicalEntity"], "name": "CONESTAT ALFA", "synonym": ["Conestat alfa", "Conestat alfa", "Recombinant human c1-inhibitor", "Conestat alfa", "Conestat alfa", "C1 esterase inhibitor", "Complement c1 esterase inhibitor", "Conestat alfa", "Recombinant human c1 inhibitor", "Recombinant human c1-inhibitor", "Rhucin", "Ruconest", "Ruconest"]}
{"name": "Plasma protease C1 inhibitor", "xref": ["CHEMBL.TARGET:CHEMBL5305024"], "id": "UniProtKB:P05155", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105629", "category": ["biolink:ChemicalEntity"], "name": "VINFLUNINE DITARTRATE", "xref": ["InChIKey:YIHUEPHBPPAAHH-PEPODRRYSA-N", "SMILES:CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Vinflunine ditartrate", "Vinflunine bitartrate", "Vinflunine tartrate", "BMS-710485", "F-12158", "Javlor", "Vinflunine ditartrate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951095", "category": ["biolink:ChemicalEntity"], "name": "ERAVACYCLINE", "xref": ["InChIKey:HLFSMUUOKPBTSM-ISIOAQNYSA-N", "SMILES:CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12"], "synonym": ["Eravacycline", "Eravacycline", "Eravacycline", "Eravaciclina", "Eravacycline", "Eravacycline", "TP-434", "Tp-434", "Xerava", "Eravacycline"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL427", "category": ["biolink:ChemicalEntity"], "name": "MECHLORETHAMINE", "xref": ["InChIKey:HAWPXGHAZFHHAD-UHFFFAOYSA-N", "SMILES:CN(CCCl)CCCl"], "synonym": ["Chlormethine", "Chlormethine", "Mechlorethamine", "Chlormethine", "Clormetina", "Mechlorethamine", "Chlorethazine", "Chlormethine", "Mechlorethamine", "Nitrogen mustard (hn 2)", "NSC-10107", "NSC-128663", "NSC-757087", "Ledaga"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200778", "category": ["biolink:ChemicalEntity"], "name": "DEXRAZOXANE HYDROCHLORIDE", "xref": ["InChIKey:BIFMNMPSIYHKDN-FJXQXJEOSA-N", "SMILES:C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.Cl"], "synonym": ["Dexrazoxane hydrochloride", "Dexrazoxane hydrochloride", "Razoxane (+)-form hydrochloride", "Cardioxan", "Dexrazoxane hcl", "Dexrazoxane hydrochloride", "Razoxane hydrochloride, (s)-", "Savene", "ADR-529 HYDROCHLORIDE", "ICRF-187 HYDROCHLORIDE", "Dexrazoxane hydrochloride", "Savene", "Totect", "Zinecard"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL561157", "category": ["biolink:ChemicalEntity"], "name": "TREPROSTINIL SODIUM", "xref": ["InChIKey:IQKAWAUTOKVMLE-ZSESPEEFSA-M", "SMILES:CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)[O-])c3C[C@H]2C[C@H]1O.[Na+]"], "synonym": ["Treprostinil sodium", "Treprostinil sodium salt", "Treprostinil sodium", "Treprostinil sodium salt", "Yutrepia", "Trepulmix"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545183", "category": ["biolink:ChemicalEntity"], "name": "ETELCALCETIDE HYDROCHLORIDE", "xref": ["InChIKey:KHQMSZGKHGQUHG-WZDHWKSBSA-N", "SMILES:CC(=O)N[C@H](CSSC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(N)=O.Cl"], "synonym": ["Etelcalcetide hydrochloride", "Etelcalcetide hydrochloride", "Etelcalcetide hydrochloride", "Etelcalcetide hydrochloride", "Etelcalcetide hydrochloride", "Telcalcetide hydrochloride", "AMG 416", "KAI-4169 HCl", "KAI-4169 HYDROCHLORIDE", "Parsabiv", "Etelcalcetide hydrochloride", "Velcalcetide hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3833340", "category": ["biolink:ChemicalEntity"], "name": "AZTREONAM LYSINE", "xref": ["InChIKey:KPPBAEVZLDHCOK-JHBYREIPSA-N", "SMILES:C[C@H]1[C@H](NC(=O)/C(=N\\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O.NCCCC[C@H](N)C(=O)O"], "synonym": ["Aztreonam lysine", "Aztreonam l-lysine salt", "Aztreonam lysinate", "Aztreonam lysine", "CORUS-1020", "CORUS1020", "Corus 1020", "Cayston", "Aztreonam lysine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297973", "category": ["biolink:ChemicalEntity"], "name": "HEPATITIS B VIRUS HBSAG SURFACE PROTEIN ANTIGEN", "synonym": ["Hepatitis b surface antigen", "Hepatitis b surface antigen (rdna)", "Hepatitis b virus hbsag surface protein antigen", "Adsorbed hepatitis b vaccine", "Hbsag", "Hepatitis b antigen", "Hepatitis b surface antigen", "Hepatitis b surface antigens", "Hepatitis b vaccine", "Hepatitis b vaccine (recombinant)", "Hepatitis b vaccine recombinant", "Hepatitis b virus hbsag surface protein antigen", "Hepatitis b virus vaccine", "Hepatitis-b surface antigen", "Ambirix", "Fendrix", "Hbvaxpro", "Hepatitis b virus hbsag surface protein antigen component of hexacima", "Hepatitis b virus hbsag surface protein antigen component of hexavac", "Hepatitis b virus hbsag surface protein antigen component of hexyon", "Hepatitis b virus hbsag surface protein antigen component of infanrix hepb", "Hepatitis b virus hbsag surface protein antigen component of infanrix hexa", "Hepatitis b virus hbsag surface protein antigen component of infanrix penta", "Hepatitis b virus hbsag surface protein antigen component of primavax", "Hepatitis b virus hbsag surface protein antigen component of quintanrix", "Hepatitis b virus hbsag surface protein antigen component of tritanrix hepb", "Hepatitis b virus hbsag surface protein antigen component of vaxelis", "Heplisav b", "Prehevbri", "Procomvax", "Twinrix adult", "Twinrix paediatric"]}
{"name": "Surface antigen (HBsAg)", "xref": ["CHEMBL.TARGET:CHEMBL5308521"], "id": "UniProtKB:Q81158", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10407"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297986", "category": ["biolink:ChemicalEntity"], "name": "COAGULATION FACTOR IX HUMAN", "synonym": ["Coagulation factor ix human", "Human coagulation factor ix", "Coagulation factor ix human", "Coagulation factor ix human", "Factor ix human", "Human coagulation factor ix", "Coagulation factor ix human component of balfaxar", "Mononine", "Nonafact", "Replenine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298167", "category": ["biolink:ChemicalEntity"], "name": "FILGOTINIB MALEATE", "xref": ["InChIKey:BFENHEAPFWQJFL-BTJKTKAUSA-N", "SMILES:O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1.O=C(O)/C=C\\C(=O)O"], "synonym": ["Filgotinib maleate", "GS-6034", "Jyseleca", "Filgotinib maleate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298171", "category": ["biolink:ChemicalEntity"], "name": "LINZAGOLIX CHOLINE", "xref": ["InChIKey:IAIVRTFCYOGNBW-UHFFFAOYSA-M", "SMILES:COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)[O-])c3c2=O)cc1OCc1c(OC)ccc(F)c1F.C[N+](C)(C)CCO"], "synonym": ["Linzagolix choline", "KLH-2109 choline", "OBE2109 choline", "Yselty", "Linzagolix choline"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315053", "category": ["biolink:ChemicalEntity"], "name": "PEMETREXED MONOHYDRATE", "xref": ["InChIKey:NBNBOZLBWLNZHB-ZOWNYOTGSA-N", "SMILES:Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1.O"], "synonym": ["Pemetrexed diacid monohydrate", "Pemetrexed monohydrate", "Armisarte", "Pemetrexed diacid monohydrate", "Pemetrexed monohydrate", "Armisarte (previously pemetrexed actavis)", "Pemetrexed fresenius kabi"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315054", "category": ["biolink:ChemicalEntity"], "name": "ERTUGLIFLOZIN PIDOLATE", "xref": ["InChIKey:YHIUPZFKHZTLSH-LXYIGGQGSA-N", "SMILES:CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1.O=C1CC[C@@H](C(=O)O)N1"], "synonym": ["Ertugliflozin l-pyroglutamic acid", "Ertugliflozin pidolate", "Ertugliflozin", "Ertugliflozin pidolate", "Ertugliflozin l-pyroglutamic acid", "Ertugliflozin pidolate", "Ertugliflozin pidolate component of segluromet", "Ertugliflozin pidolate component of steglujan", "Steglatro"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315087", "category": ["biolink:ChemicalEntity"], "name": "PROTEIN C CONCENTRATE (HUMAN)", "synonym": ["Protein c", "Human protein c", "Protein c concentrate (human)", "Protein c", "Human protein c", "Protein c", "Protein c (coagulation inhibitor)", "Protein c (homo sapiens)", "Protein c concentrate (human)", "Protein c human", "Protexel", "Ceprotin", "Protein c component of balfaxar"]}
{"name": "Vitamin K-dependent protein C", "xref": ["CHEMBL.TARGET:CHEMBL4444"], "id": "UniProtKB:P04070", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315117", "category": ["biolink:ChemicalEntity"], "name": "ZANAMIVIR HYDRATE", "xref": ["InChIKey:OELRRAURPSTFEX-VCFRRRQNSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O"], "synonym": ["Zanamivir hydrate", "D01937", "J1.917.534K", "Dectova"]}
{"name": "Neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL4295840"], "id": "UniProtKB:Q3S340", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:343983"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303454", "category": ["biolink:ChemicalEntity"], "name": "DORIPENEM MONOHYDRATE", "xref": ["InChIKey:NTUBEBXBDGKBTJ-WGLOMNHJSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12.O"], "synonym": ["Doripenem monohydrate", "Doripenem hydrate", "Doripenem hydrate", "Doripenem hydrate", "Dripenem hydrate", "Finibax", "Doribax"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315118", "category": ["biolink:ChemicalEntity"], "name": "ILOPROST TROMETHAMINE", "xref": ["InChIKey:KZSSWXACMCYLBM-RMWNCEGRSA-N", "SMILES:CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O.NC(CO)(CO)CO"], "synonym": ["Iloprost trometamol", "Iloprost tromethamine", "Ciloprost trometamol", "Iloprost tromethamine", "Trometamol iloprost", "Ventavis"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315119", "category": ["biolink:ChemicalEntity"], "name": "UPADACITINIB HEMIHYDRATE", "xref": ["InChIKey:GJMQTRCDSIQEFK-SCDRJROZSA-N", "SMILES:CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12.CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12.O"], "synonym": ["Upadacitinib hemihydrate", "Upadacitinib (as hemihydrate)", "Upadacitinib hydrate", "Rinvoq lq", "Rinvoq"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315120", "category": ["biolink:ChemicalEntity"], "name": "ODEVIXIBAT SESQUIHYDRATE", "xref": ["InChIKey:UIYFGCAQGONAMU-ZHQCGWDOSA-N", "SMILES:CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1.CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1.O.O.O"], "synonym": ["Odevixibat sesquihydrate", "Odevixibat (as sesquihydrate)", "Bylvay"], "chembl_availability_type": "prescription only"}
{"name": "Envelope phospholipase OPG057", "xref": ["CHEMBL.TARGET:CHEMBL5308524"], "id": "UniProtKB:G0XSE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10243"]}
{"name": "Envelope phospholipase OPG057", "xref": ["CHEMBL.TARGET:CHEMBL5308523"], "id": "UniProtKB:A0A7H0DN30", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10244"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315122", "category": ["biolink:ChemicalEntity"], "name": "BORTEZOMIB D-MANNITOL", "xref": ["InChIKey:QDMRNLRJDHCHLB-DNNBANOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1O[C@H]([C@H](O)CO)[C@@H]([C@H](O)CO)O1"], "synonym": ["Bortezomib d-mannitol", "Bortezomib mannitol boronic ester", "Bortezomib mannitol boronic ester", "Bortezomib d-mannitol ester", "Bortezomib accord", "Bortezomib fresenius kabi", "Bortezomib hospira", "Bortezomib sun", "Velcade"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315123", "category": ["biolink:ChemicalEntity"], "name": "DIFELIKEFALIN ACETATE", "xref": ["InChIKey:MZWHRPKAHCWTOI-KGURMGBCSA-N", "SMILES:CC(=O)O.CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1"], "synonym": ["Difelikefalin acetate", "Difelikefalin acetate", "Cr-845 acetate", "Kapruvia", "Korsuva"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5315125", "category": ["biolink:ChemicalEntity"], "name": "DUVELISIB MONOHYDRATE", "xref": ["InChIKey:FQLHRUBTGKTKPZ-ZOWNYOTGSA-N", "SMILES:C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.O"], "synonym": ["Duvelisib monohydrate", "Duvelisib (as hydrate)", "Duvelisib hydrate", "Duvelisib hydrate", "Duvelisib hydrate", "Copiktra"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1514", "category": ["biolink:ChemicalEntity"], "name": "LEVOMETHADYL ACETATE", "xref": ["InChIKey:XBMIVRRWGCYBTQ-AVRDEDQJSA-N", "SMILES:CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1"], "synonym": ["Levacetylmethadol", "Levacetylmethadol", "Levomethadyl acetate", "Levacetylmethadol", "Levacetilmetadol", "Levomethadyl acetate", "Levacetylmethadol", "Levo-alphacetylmethadol", "Levoacetyl methadol", "Levomethadyl acetate", "LAA-M", "LAAM", "Orlaam", "Levomethadyl acetate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108512", "category": ["biolink:ChemicalEntity"], "name": "HEPATITIS B IMMUNE GLOBULIN", "synonym": ["Hepatitis b immunoglobulin", "Hepatitis b immunoglobulin", "Hepatitis b immune globulin", "Human hepatitis b immunoglobulin", "Hepabulin", "Hepatitis b immune globulin", "Hepatitis b immune globulin human", "Human hepatitis b immunoglobulin", "Human hepatitis-b immunoglobulin", "Hyperhep b", "Immunogam", "Zutectra", "Hyperhep b s/d", "Immunogam", "Liberim hb", "Zutectra", "Hepatitis b immune globulin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108030", "category": ["biolink:ChemicalEntity"], "name": "EXBIVIRUMAB", "synonym": ["Exbivirumab", "Exbivirumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108616", "category": ["biolink:ChemicalEntity"], "name": "LIBIVIRUMAB", "synonym": ["Libivirumab", "Libivirumab"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109523", "category": ["biolink:ChemicalEntity"], "name": "M170", "synonym": ["M170", "M170"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109382", "category": ["biolink:ChemicalEntity"], "name": "MEDI-639", "synonym": ["MEDI-639"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109649", "category": ["biolink:ChemicalEntity"], "name": "RG-7594", "synonym": ["RG-7594"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1584", "category": ["biolink:ChemicalEntity"], "name": "PIPERACETAZINE", "xref": ["InChIKey:BTFMCMVEUCGQDX-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2"], "synonym": ["Piperacetazine", "Piperacetazine", "Piperacetazina", "NSC-760067", "PC-1421", "Quide", "Piperacetazine", "Piperacetazine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL307261", "category": ["biolink:ChemicalEntity"], "name": "ARTENIMOL", "xref": ["InChIKey:BJDCWCLMFKKGEE-ISOSDAIHSA-N", "SMILES:C[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"], "synonym": ["Artenimol", "Artenimol", "Dihydroartemisinin", ".beta.-dihydroartemisinin", "Alaxin", "Artenimol", "Artenimolum", "Cotecxin", "Cotexin", "Di-hydroqinghaosu", "Dihydroartemisinin", "Dihydroartemisinin, .beta.-", "Dihydroartemisinine", "Dihydroqinghaosu", "Dynamax", "Salaxin", "Santecxin", "GNF-PF-5634", "Artenimol component of eurartesim  dihydroartemisinin", "Artenimol", "Artemether related compound a", "Dihydroartemisinin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4802240", "category": ["biolink:ChemicalEntity"], "name": "FOSCARBIDOPA", "xref": ["InChIKey:PQUZXFMHVSMUNG-JTQLQIEISA-N", "SMILES:C[C@@](Cc1ccc(OP(=O)(O)O)c(O)c1)(NN)C(=O)O"], "synonym": ["Foscarbidopa", "Carbidopa 4'-monophosphate", "ABBV-951 Carbidopa", "Foscarbidopa component of abbv-951", "Foscarbidopa component of vyalev", "Foscarbidopa"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068328", "category": ["biolink:ChemicalEntity"], "name": "ELTROMBOPAG CHOLINE", "xref": ["InChIKey:XSHFVAAXJHNDKZ-OUFJFOJPSA-M", "SMILES:CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)[O-])c2)c1O.C[N+](C)(C)CCO"], "synonym": ["Eltrombopag choline", "Alvaiz"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL121", "category": ["biolink:ChemicalEntity"], "name": "ROSIGLITAZONE", "xref": ["InChIKey:YASAKCUCGLMORW-UHFFFAOYSA-N", "SMILES:CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1"], "synonym": ["Rosiglitazone", "Rosiglitazone", "Rosiglitazone", "Rosiglitazone", "Rosiglitazone", "Rosiglitazona", "Rosiglitazone", "Avandamet", "Avandaryl", "Gaudil", "Rezult", "Rosiglitazone", "Rosiglizole", "Rosvel", "BRL-49653", "NSC-758698", "TDZ-01", "Avandia", "Nyracta", "Venvia"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105709", "category": ["biolink:ChemicalEntity"], "name": "QUIZARTINIB DIHYDROCHLORIDE", "xref": ["InChIKey:DHYPGRVMIOATAE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1.Cl.Cl"], "synonym": ["Quizartinib dihydrochloride", "Quizartinib dihydrochloride", "Quizartinib hydrochloride", "Quizartinib dihydrochloride", "Quizartinib hydrochloride", "Quizartinib monohydrochloride", "AC-010220 DIHYDROCHLORIDE", "AC-220 DIHYDROCHLORIDE", "AC010220 2HCL", "AC010220.2HCL", "AC220", "AC220 2HCL", "Vanflyta", "Quizartinib dihydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108966", "category": ["biolink:ChemicalEntity"], "name": "INSULIN, NEUTRAL", "synonym": ["Neutral insulin injection", "Insulin, neutral", "Neutral insulin injection", "Solute neutre injectable d'insuline", "Inyectable neutro de insulina", "Neutral insulin injection", "Insulin, neutral", "Insulin human winthrop", "Insulin, neutral"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594382", "category": ["biolink:ChemicalEntity"], "name": "DEURUXOLITINIB PHOSPHATE", "xref": ["InChIKey:JFMWPOCYMYGEDM-NTVOUFPTSA-N", "SMILES:O=P(O)(O)O.[2H]C1([2H])C([C@@H](CC#N)n2cc(-c3ncnc4[nH]ccc34)cn2)C([2H])([2H])C([2H])([2H])C1([2H])[2H]"], "synonym": ["Deuruxolitinib phosphate", "D8-ruxolitinib phosphate", "Leqselvi", "C-21543 phosphate", "CTP-543 phosphate", "D8- ruxolitinib phosphate", "Leqselvi", "Deuruxolitinib phosphate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650226", "category": ["biolink:ChemicalEntity"], "name": "ACORAMIDIS HYDROCHLORIDE", "xref": ["InChIKey:MGFZEARHINUOMX-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1CCCOc1cc(C(=O)O)ccc1F.Cl"], "synonym": ["Acoramidis hydrochloride", "Alxn-2060 hydrochloride", "Alxn2060 hydrochloride", "AG-10 HYDROCHLORIDE", "AG10 hydrochloride", "Attruby", "Acoramidis hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL501122", "category": ["biolink:ChemicalEntity"], "name": "CEFTAROLINE FOSAMIL", "xref": ["InChIKey:ZCCUWMICIWSJIX-NQJJCJBVSA-N", "SMILES:CCO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1"], "synonym": ["Ceftaroline fosamil", "Ceftaroline fosamil", "Ceftaroline fosamil", "Ceftarolina fosamilo", "Ceftaroline fosamil", "Ceftaroline fosamil anhydrous", "Teflaro", "PPI-0903", "TAK 599", "TAK-599", "TAK599", "Teflaro", "Ceftaroline fosamil"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Penicillin-binding protein 2a", "synonym": ["MecA PBP2' (penicillin binding protein 2')"], "xref": ["CHEMBL.TARGET:CHEMBL3512"], "id": "UniProtKB:Q53707", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108396", "category": ["biolink:ChemicalEntity"], "name": "DEFIBROTIDE", "synonym": ["Defibrotide", "Defibrotide", "Defibrotide", "Defibrotida", "Defibrotide", "Bos taurus lung defibrotide", "Defibrotide", "Defibrotide (bovine lung)", "Defibrotide (bovine)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068375", "category": ["biolink:ChemicalEntity"], "name": "VESICULAR STOMATITIS VIRUS ENCODING EBOLA VIRUS GLYCOPROTEIN", "synonym": ["Vesicular stomatitis virus encoding ebola virus glycoprotein", "Ervebo"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068368", "category": ["biolink:ChemicalEntity"], "name": "NEISSERIA MENINGITIDIS OLIGOSACCHARIDE CONJUGATED TO CORYNEBACTERIUM DIPHTHERIAE CRM197", "synonym": ["Neisseria meningitidis oligosaccharide conjugated to corynebacterium diphtheriae crm197", "Menveo"]}
{"id": "CHEMBL.TARGET:CHEMBL5500296", "category": ["biolink:MolecularEntity"], "name": "Oligosaccharide conjugated to Corynebacterium ciphtheriae CRM197"}
{"id": "CHEMBL.COMPOUND:CHEMBL428", "category": ["biolink:ChemicalEntity"], "name": "TROVAFLOXACIN", "xref": ["InChIKey:WVPSKSLAZQPAKQ-CDMJZVDBSA-N", "SMILES:N[C@@H]1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]12"], "synonym": ["Trovafloxacin", "Trovafloxacin", "Trovafloxacin", "Trovafloxacine", "Trovafloxacino", "Trovafloxacin", "Trovafloxacin", "CP-99219", "Trovan", "Turvel"], "chembl_black_box_warning": "True", "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650429", "category": ["biolink:ChemicalEntity"], "name": "TOZINAMERAN", "synonym": ["Tozinameran", "Tozinameran", "Bnt162b2", "Comirnaty", "Comirnaty mrna", "Pfizer covid-19 vaccine", "Rna ingredient bnt-162b2", "Tozinameran", "BNT-162B2", "BNT162B2", "Comirnaty"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068352", "category": ["biolink:ChemicalEntity"], "name": "VIBRIO CHOLERAE TOXIN B SUBUNIT", "synonym": ["Vibrio cholerae toxin b subunit", "Vibrio cholerae toxin b subunit component of dukoral"]}
{"name": "Cholera enterotoxin subunit B", "xref": ["CHEMBL.TARGET:CHEMBL5500284"], "id": "UniProtKB:P01556", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:243277"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068388", "category": ["biolink:ChemicalEntity"], "name": "INFLUENZA B VIRUS HEMAGGLUTININ", "synonym": ["Influenza b virus hemagglutinin", "Influenza b virus hemagglutinin component of supemtek"]}
{"name": "Hemagglutinin", "xref": ["CHEMBL.TARGET:CHEMBL5500285"], "id": "UniProtKB:P03460", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:518987"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068330", "category": ["biolink:ChemicalEntity"], "name": "NOGAPENDEKIN ALFA INBAKICEPT", "synonym": ["Nogapendekin alfa inbakicept", "Nogapendekin alfa inbakicept-pmln", "Anktiva"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107353", "category": ["biolink:ChemicalEntity"], "name": "MAROPITANT CITRATE", "xref": ["InChIKey:PGVSXRHFXJOMGW-YBZGWEFGSA-N", "SMILES:COc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1.O.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Maropitant citrate", "Maropitant citrate monohydrate", "Cerenia", "Maropitant citrate monohydrate", "CJ-11,972", "CJ-11972", "Cerenia", "Maropitant citrate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068498", "category": ["biolink:ChemicalEntity"], "name": "NEISSERIA MENINGITIDIS POLYSACCHARIDE CONJUGATED TO TETANUS TOXOID", "synonym": ["Neisseria meningitidis polysaccharide conjugated to tetanus toxoid", "Neisseria meningitidis group a capsular polysaccharide tetanus toxoid conjugate antigen", "Neisseria meningitidis group c capsular polysaccharide tetanus toxoid conjugate antigen", "Neisseria meningitidis group w-135 capsular polysaccharide tetanus toxoid conjugate antigen", "Neisseria meningitidis group y capsular polysaccharide tetanus toxoid conjugate antigen", "Neisseria meningitidis polysaccharide conjugated to tetanus toxoid", "Menquadfi", "Neisseria meningitidis group a capsular polysaccharide tetanus toxoid conjugate antigen component of penbraya", "Neisseria meningitidis group c capsular polysaccharide tetanus toxoid conjugate antigen component of penbraya", "Neisseria meningitidis group w-135 capsular polysaccharide tetanus toxoid conjugate antigen component of penbraya", "Neisseria meningitidis group y capsular polysaccharide tetanus toxoid conjugate antigen component of penbraya", "Nimenrix"]}
{"id": "CHEMBL.TARGET:CHEMBL5498507", "category": ["biolink:MolecularEntity"], "name": "Polysaccharide conjugated to Tetanus toxoid"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068501", "category": ["biolink:ChemicalEntity"], "name": "CAPROMORELIN TARTRATE", "xref": ["InChIKey:MJGRJCMGMFLOET-MYPSAZMDSA-N", "SMILES:CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O.O=C(O)[C@H](O)[C@@H](O)C(=O)O"], "synonym": ["Capromorelin tartrate", "Capimorelin tartrate", "Capromorelin tartrate", "CP-424,391-18", "CP-424391-18", "Eluracat", "Capromorelin tartrate"]}
{"name": "Growth hormone secretagogue receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL5500281"], "id": "UniProtKB:M3WES4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9685"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2362410", "category": ["biolink:ChemicalEntity"], "name": "LANDIOLOL HYDROCHLORIDE", "xref": ["InChIKey:DLPGJHSONYLBKP-IKGOIYPNSA-N", "SMILES:CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1.Cl"], "synonym": ["Landiolol hydrochloride", "Landiolol hydrochloride", "Ono 1101 hydrochloride", "Ono-1101 hydrochloride", "Onoact", "Rapiblyk", "Landiolol hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068614", "category": ["biolink:ChemicalEntity"], "name": "PROTHROMBIN COMPLEX CONCENTRATE", "synonym": ["Kcentra", "Octaplex 500 iu", "Prothrombin complex concentrate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297101", "category": ["biolink:ChemicalEntity"], "name": "CEFTOBIPROLE MEDOCARIL SODIUM", "xref": ["InChIKey:MFAWUGGPPMTWPU-INRVRKGJSA-M", "SMILES:Cc1oc(=O)oc1COC(=O)N1CC[C@@H](N2CC/C(=C\\C3=C(C(=O)[O-])N4C(=O)[C@@H](NC(=O)/C(=N/O)c5nsc(N)n5)[C@H]4SC3)C2=O)C1.[Na+]"], "synonym": ["Ceftobiprole medocaril", "Ceftobiprole medocaril sodium", "Ceftobiprole medocaril", "Ceftobiprole medocaril sodium salt", "Ceftobiprole medocaril", "Ceftobiprole medocaril sodium", "Zevtera", "BAL-5788", "BAL-5788-001", "BAL5788", "BAL5788-001", "RO 65-5788", "RO-65-5788", "RO-655788", "Zevtera"], "chembl_prodrug": true, "chembl_availability_type": "discontinued"}
{"name": "Penicillin-binding protein 1", "synonym": ["Cell division protein FtsI (Peptidoglycan synthetase)"], "xref": ["CHEMBL.TARGET:CHEMBL4268"], "id": "UniProtKB:Q53725", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297354", "category": ["biolink:ChemicalEntity"], "name": "AZD-7687", "xref": ["InChIKey:YXFNPRHZMOGREC-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O"], "synonym": ["Azd 7687", "Azd-7687", "Azd7687", "AZD7687"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297889", "category": ["biolink:ChemicalEntity"], "name": "AVACINCAPTAD PEGOL SODIUM", "synonym": ["Avacincaptad pegol sodium", "Arc1905", "Avacincaptad pegol sodium", "ARC-1905", "ARC1905", "Izervay", "Avacincaptad pegol sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL334966", "category": ["biolink:ChemicalEntity"], "name": "CANGRELOR", "xref": ["InChIKey:PAEBIVWUMLRPSK-IDTAVKCVSA-N", "SMILES:CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O"], "synonym": ["Cangrelor", "Cangrelor", "Cangrelor", "Cangrelor", "Cangrelor", "AR-C69931XX", "Kengreal", "Cangrelor"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594278", "category": ["biolink:ChemicalEntity"], "name": "GEFAPIXANT CITRATE", "xref": ["InChIKey:AIJVJYUOMCRFOE-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Gefapixant citrate", "AF-219 CITRATE", "MK-7264", "MK-7264 CITRATE", "MK7264", "MK7264 CITRATE", "Lyfnua", "Gefapixant citrate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095440", "category": ["biolink:ChemicalEntity"], "name": "OBECABTAGENE AUTOLEUCEL", "synonym": ["Obecabtagene autoleucel", "Obecabtagene autoleucel", "Obecabtagene autoleucel", "AUTO-1", "AUTO1", "Aucatzyl", "Obecabtagene autoleucel"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068372", "category": ["biolink:ChemicalEntity"], "name": "NEISSERIA MENINGITIDIS ADHESIN A", "synonym": ["Neisseria meningitidis adhesin a", "Neisseria meningitidis adhesin a component of bexsero"]}
{"name": "Neisseria adhesin A", "xref": ["CHEMBL.TARGET:CHEMBL5500286"], "id": "UniProtKB:P0DV44", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:491"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200985", "category": ["biolink:ChemicalEntity"], "name": "CEFTIBUTEN DIHYDRATE", "xref": ["InChIKey:SSWTVBYDDFPFAF-DKOGRLLHSA-N", "SMILES:Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1.O.O"], "synonym": ["Ceftibuten dihydrate", "Ceftibuten hydrate", "Cedax"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068349", "category": ["biolink:ChemicalEntity"], "name": "BORDETELLA PERTUSSIS TOXIN", "synonym": ["Bordetella pertussis toxin", "Bordetella pertussis toxin component of triacelluvax"]}
{"id": "CHEMBL.TARGET:CHEMBL5500292", "category": ["biolink:MacromolecularComplex"], "name": "Pertussis toxin"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068341", "category": ["biolink:ChemicalEntity"], "name": "TENOFOVIR DISOPROXIL PHOSPHATE", "xref": ["InChIKey:DJCLNKKHALBVLK-PFEQFJNWSA-N", "SMILES:CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.O=P(O)(O)O"], "synonym": ["Tenofovir disoproxil phosphate", "Tenofovir disoproxil zentiva"], "chembl_prodrug": true}
{"name": "Vitamin K-dependent protein S", "xref": ["CHEMBL.TARGET:CHEMBL5498501"], "id": "UniProtKB:P07225", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068379", "category": ["biolink:ChemicalEntity"], "name": "VACCINIA VIRUS, MODIFIED ENCODING EBOLA VIRUS GLYCOPROTEIN AND NUCLEOPROTEIN", "synonym": ["Vaccinia virus, modified encoding ebola virus glycoprotein and nucleoprotein", "Mvabea"]}
{"name": "Nucleoprotein", "xref": ["CHEMBL.TARGET:CHEMBL5500289"], "id": "UniProtKB:P18272", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:128952"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068342", "category": ["biolink:ChemicalEntity"], "name": "VELAGLIFLOZIN L-PROLINE MONOHYDRATE", "xref": ["InChIKey:LVKFIRVAWPKWLT-DRDVMWELSA-N", "SMILES:C[C@@H]1[C@@H](O)[C@H](c2ccc(C#N)c(Cc3ccc(C4CC4)cc3)c2)O[C@H](CO)[C@H]1O.O.O=C(O)[C@@H]1CCCN1"], "synonym": ["Velagliflozin l-proline monohydrate", "Senvelgo"]}
{"name": "Solute carrier family 5 member 2", "synonym": ["Sodium/glucose cotransporter 2"], "xref": ["CHEMBL.TARGET:CHEMBL5500283"], "id": "UniProtKB:M3VWJ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9685"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314727", "category": ["biolink:ChemicalEntity"], "name": "BEVACIZUMAB GAMMA", "synonym": ["Bevacizumab gamma", "Bevacizumab gamma", "Bevacizumab gamma", "Bevacizumab gamma", "Lytenava"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336050", "category": ["biolink:ChemicalEntity"], "name": "XANOMELINE TARTRATE", "xref": ["InChIKey:SJSVWTMVMBGIHQ-UHFFFAOYSA-N", "SMILES:CCCCCCOc1nsnc1C1=CCCN(C)C1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["Xanomeline tartrate", "Xanomeline (+)-l-hydrogen tartrate", "Xanomeline tartaric acid", "Xanomeline tartrate", "LY-246708 TARTRATE", "LY246708 TARTRATE", "Xanomeline tartrate component of cobenfy", "Xanomeline tartrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314441", "category": ["biolink:ChemicalEntity"], "name": "SIPAGLADENANT", "xref": ["InChIKey:KMFLQPJJHQNKKF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1"], "synonym": ["Sipagladenant", "Sipagladenant", "Sipagladenant", "Kw-6356", "KW6356"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068336", "category": ["biolink:ChemicalEntity"], "name": "MOMELOTINIB DIHYDROCHLORIDE MONOHYDRATE", "xref": ["InChIKey:RQKCPSIFARJBOR-UHFFFAOYSA-N", "SMILES:Cl.Cl.N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O"], "synonym": ["Momelotinib dihydrochloride monohydrate", "Momelotinib hydrochloride hydrate", "CYT-11387 DIHYDROCHLORIDE MONOHYDRATE", "CYT-387 DIHYDROCHLORIDE MONOHYDRATE", "Omjjara"]}
{"name": "Penicillin-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3825"], "id": "UniProtKB:Q53729", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068490", "category": ["biolink:ChemicalEntity"], "name": "COAGULATION FACTOR VII HUMAN", "synonym": ["Coagulation factor vii human", "Factor vii (proconvertin)", "Coagulation factor vii human component of balfaxar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068395", "category": ["biolink:ChemicalEntity"], "name": "REVUMENIB CITRATE", "xref": ["InChIKey:UBXFWTFPYATLBT-SGBGZXBGSA-N", "SMILES:CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C.O.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Revumenib citrate", "Revumenib monocitrate monohydrate", "SNDX-5613 monocitrate monohydrate", "Revuforj", "Revumenib citrate"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"name": "Menin", "xref": ["CHEMBL.TARGET:CHEMBL1615381"], "id": "UniProtKB:O00255", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405110", "category": ["biolink:ChemicalEntity"], "name": "METHYLENE BLUE ANHYDROUS", "xref": ["InChIKey:CXKWCBBOMKCUKX-UHFFFAOYSA-M", "SMILES:CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.[Cl-]"], "synonym": ["Methylthioninium chloride", "Methylthioninium chloride", "Methylene blue anhydrous", "Methylthioninium chloride", "Methylthioninium chloride", "Chlorure de methylthioninium", "Cloruro de metiltioninio", "Trx-0014", "Trx0014", "NSC-215213", "NSC-617593", "Lumeblue (previously known as methylthioninium chloride cosmo)", "Methylthioninium chloride proveblue", "Urolene blue"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6068338", "category": ["biolink:ChemicalEntity"], "name": "CLOPIDOGREL HYDROCHLORIDE", "xref": ["InChIKey:XIHVAFJSGWDBGA-RSAXXLAASA-N", "SMILES:COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.Cl"], "synonym": ["Clopidogrel hydrochloride", "Clopidogrel dura", "Clopidogrel hcs", "Clopidogrel krka", "Clopidogrel krka d.d. (previously zopya)", "Clopidogrel mylan", "Clopidogrel qualimed", "Clopidogrel tad", "Clopidogrel taw pharma (previously clopidogrel mylan)", "Clopidogrel teva generics b.v.", "Clopidogrel teva pharma", "Clopidogrel teva pharma (previously clopidogrel hcs)", "Clopidogrel-dura", "Clopidogrel-hcs", "Clopidogrel-krka", "Clopidogrel-tad"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6068499", "category": ["biolink:ChemicalEntity"], "name": "NEISSERIA MENINGITIDIS FACTOR H BINDING PROTEIN", "synonym": ["Neisseria meningitidis factor h binding protein", "Neisseria meningitidis factor h binding protein", "Neisseria meningitidis group b recombinant lp2086 a05 protein variant antigen", "Neisseria meningitidis group b recombinant lp2086 b01 protein variant antigen", "Neisseria meningitidis factor h binding protein component of bexsero", "Neisseria meningitidis group b recombinant lp2086 a05 protein variant antigen component of penbraya", "Neisseria meningitidis group b recombinant lp2086 b01 protein variant antigen component of penbraya", "Trumenba"]}
{"name": "Factor H binding protein", "xref": ["CHEMBL.TARGET:CHEMBL5498503"], "id": "UniProtKB:Q9JXV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:122586"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594328", "category": ["biolink:ChemicalEntity"], "name": "BEREMAGENE GEPERPAVEC", "synonym": ["Beremagene geperpavec", "Beremagene geperpavec", "Beremagene geperpavec", "Beremagene geperpavec", "Beremagene geperpavec-svdt", "Vyjuvek", "KB-103", "KB103", "Vyjuvek", "Beremagene geperpavec"], "chembl_availability_type": "prescription only"}
{"name": "Collagen alpha-1(VII) chain", "xref": ["CHEMBL.TARGET:CHEMBL5498505"], "id": "UniProtKB:Q02388", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068350", "category": ["biolink:ChemicalEntity"], "name": "BORDETELLA PERTUSSIS PERTACTIN AUTOTRANSPORTER", "synonym": ["Bordetella pertussis pertactin autotransporter", "Bordetella pertussis pertactin autotransporter component of infanrix hepb", "Bordetella pertussis pertactin autotransporter component of infanrix hexa", "Bordetella pertussis pertactin autotransporter component of infanrix penta", "Bordetella pertussis pertactin autotransporter component of triacelluvax", "Bordetella pertussis pertactin autotransporter component of vaxelis"]}
{"name": "Pertactin autotransporter", "xref": ["CHEMBL.TARGET:CHEMBL5500288"], "id": "UniProtKB:P14283", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:257313"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594378", "category": ["biolink:ChemicalEntity"], "name": "VORASIDENIB CITRATE", "xref": ["InChIKey:YOUTVRFNJAAFNS-DLVAHKFUSA-N", "SMILES:C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.O.O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["AG-881 citrate", "Vorasidenib citrate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095475", "category": ["biolink:ChemicalEntity"], "name": "PALOPEGTERIPARATIDE", "synonym": ["Palopegteriparatide", "Palopegteriparatide", "Palopegteriparatide", "Mpeg 40000-teriparatide", "Transcon pth (1-34)", "Yorvipath", "ACP-014", "TransCon PTH", "Yorvipath", "Palopegteriparatide"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068339", "category": ["biolink:ChemicalEntity"], "name": "IRBESARTAN HYDROCHLORIDE", "xref": ["InChIKey:ZUYFSRQJPNUOQU-UHFFFAOYSA-N", "SMILES:CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1.Cl"], "synonym": ["Irbesartan hydrochloride", "Ifirmasta (previously irbesartan krka)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068431", "category": ["biolink:ChemicalEntity"], "name": "BENZGALANTAMINE GLUCONATE", "xref": ["InChIKey:YOMFDYFCNHSIAU-VXYIJGMPSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)c4ccccc4)C=C[C@@]31CCN(C)C2.O=C(O)C(O)C(O)C(O)C(O)CO"], "synonym": ["Benzgalantamine gluconate", "Galantamine benzoate gluconate", "Zunveyl", "ALPHA-1062 gluconate", "GLN-1062 gluconate", "Memogain gluconate", "Zunveyl", "Benzgalantamine gluconate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068329", "category": ["biolink:ChemicalEntity"], "name": "PEMETREXED DIPOTASSIUM", "xref": ["InChIKey:YQABXEMTTPRASZ-GXKRWWSZSA-L", "SMILES:Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1.[K+].[K+]"], "synonym": ["Pemetrexed dipotassium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3989960", "category": ["biolink:ChemicalEntity"], "name": "SELADELPAR LYSINE", "xref": ["InChIKey:WTKSWPYGZDCUNQ-JZXFCXSPSA-N", "SMILES:CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1.NCCCC[C@H](N)C(=O)O.O.O"], "synonym": ["Seladelpar lysine", "Livdelzi", "Mbx-8025 lysine dihydrate", "Mbx-8025 lysine salt, dihydrate", "Seladelpar lysine dihydrate", "MBX-8025 lysine", "Livdelzi", "Seladelpar lysine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4650269", "category": ["biolink:ChemicalEntity"], "name": "LOVOTIBEGLOGENE AUTOTEMCEL", "synonym": ["Lovotibeglogene autotemcel", "BB-1111", "bb1111", "Lyfgenia", "Lovotibeglogene autotemcel"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068494", "category": ["biolink:ChemicalEntity"], "name": "BACILLUS ANTHRACIS PROTECTIVE ANTIGEN, ADSORBED", "synonym": ["Bacillus anthracis protective antigen, adsorbed", "Bacillus anthracis strain v770-np1-r antigens", "Cyfendus"]}
{"name": "Penicillin-binding protein 2x", "xref": ["CHEMBL.TARGET:CHEMBL6188"], "id": "UniProtKB:P14677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:170187"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298153", "category": ["biolink:ChemicalEntity"], "name": "NIROGACESTAT HYDROBROMIDE", "xref": ["InChIKey:LXEYYZYDWLAIPW-KBVFCZPLSA-N", "SMILES:Br.Br.CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1"], "synonym": ["Nirogacestat hydrobromide", "Nirogacestat dihydrobromide", "Ogsiveo", "PF-03084014-04", "Ogsiveo", "Nirogacestat hydrobromide"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068378", "category": ["biolink:ChemicalEntity"], "name": "ADENOVIRUS TYPE 26 ENCODING EBOLA VIRUS GLYCOPROTEIN", "synonym": ["Adenovirus type 26 encoding ebola virus glycoprotein", "Zabdeno"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707322", "category": ["biolink:ChemicalEntity"], "name": "LETIBOTULINUMTOXINA", "synonym": ["Letibotulinumtoxina", "Letibotulinumtoxina-wlbg", "Botulax", "Letibotulinumtoxina-wlbg", "Letybo", "BON-T/A-DS", "BoNT/A-DS", "Botulax", "Letybo", "Letibotulinumtoxina"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594335", "category": ["biolink:ChemicalEntity"], "name": "EPLONTERSEN SODIUM", "synonym": ["Eplontersen sodium", "AKCEA-TTR-LRX SODIUM", "ION-682884 ICOSASODIUM SALT", "ION-682884 SODIUM", "IONIS-TTR-LRX SODIUM", "ISIS-682884", "Wainua", "Wainua (autoinjector)", "Eplontersen sodium"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068362", "category": ["biolink:ChemicalEntity"], "name": "INFLUENZA A VIRUS, INACTIVATED NEURAMINIDASE", "synonym": ["Influenza a virus, inactivated neuraminidase", "Influenza a virus, inactivated neuraminidase component of aflunov", "Influenza a virus, inactivated neuraminidase component of celldemic", "Influenza a virus, inactivated neuraminidase component of fluad tetra", "Influenza a virus, inactivated neuraminidase component of flucelvax tetra", "Influenza a virus, inactivated neuraminidase component of focetria", "Influenza a virus, inactivated neuraminidase component of foclivia", "Influenza a virus, inactivated neuraminidase component of incellipan", "Influenza a virus, inactivated neuraminidase component of optaflu", "Influenza a virus, inactivated neuraminidase component of zoonotic influenza vaccine seqirus"]}
{"name": "Neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL1287607"], "id": "UniProtKB:Q75VQ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:387139"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068340", "category": ["biolink:ChemicalEntity"], "name": "PRASUGREL BESYLATE", "xref": ["InChIKey:UFXQKLQPHZRPDV-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.O=S(=O)(O)c1ccccc1"], "synonym": ["Prasugrel besylate", "Prasugrel viatris (previously prasugrel mylan)"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6068346", "category": ["biolink:ChemicalEntity"], "name": "HEPATITIS B VIRUS S PROTEIN, PRE-S1 PROTEIN AND PRE-S2 PROTEIN VIRUS LIKE PARTICLES", "synonym": ["Hepatitis b virus s protein, pre-s1 protein and pre-s2 protein virus like particles", "Hepacare"]}
{"name": "Large envelope protein", "xref": ["CHEMBL.TARGET:CHEMBL5305041"], "id": "UniProtKB:Q9QAB7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:489461"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095292", "category": ["biolink:ChemicalEntity"], "name": "TARLATAMAB", "synonym": ["Tarlatamab", "Tarlatamab", "Tarlatamab-dlle", "Imdelltra", "Tarlatamab", "Tarlatamab-dlle", "AMG 757", "AMG-757", "AMG757", "Imdelltra", "Tarlatamab"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297975", "category": ["biolink:ChemicalEntity"], "name": "VARICELLA ZOSTER VIRUS ENVELOPE GLYCOPROTEIN E", "synonym": ["Varicella zoster virus envelope glycoprotein e", "Gsk-1437173a", "Herpes zoster vaccine gsk1437173a", "Recombinant varicella zoster virus (vzv) glycoprotein e", "Shingrix", "Shingrix"]}
{"name": "Envelope glycoprotein E", "xref": ["CHEMBL.TARGET:CHEMBL5500290"], "id": "UniProtKB:Q9J3M8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:341980"]}
{"name": "Penicillin-binding protein 4", "xref": ["CHEMBL.TARGET:CHEMBL2549"], "id": "UniProtKB:P72355", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594379", "category": ["biolink:ChemicalEntity"], "name": "FOSLEVODOPA", "xref": ["InChIKey:YNDMEEULGSTYJT-LURJTMIESA-N", "SMILES:N[C@@H](Cc1ccc(OP(=O)(O)O)c(O)c1)C(=O)O"], "synonym": ["Foslevodopa", "Foslevodopa", "3-hydroxy-o-phosphono-l-tyrosine", "Foslevodopa", "Levodopa-4'-monophosphate", "ABBV-951", "FOSLEVODOPA COMPONENT OF ABBV-951", "Foslevodopa component of vyalev", "Foslevodopa"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4297603", "category": ["biolink:ChemicalEntity"], "name": "DEUTIVACAFTOR", "xref": ["InChIKey:PURKAOJPTOLRMP-ASMGOKTBSA-N", "SMILES:[2H]C([2H])([2H])C(c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)(C([2H])([2H])[2H])C([2H])([2H])[2H]"], "synonym": ["Deutivacaftor", "Deutivacaftor", "Ctp-656", "D9-ivacaftor", "Deuterated ivacaftor", "Deutivacaftor", "Ivacaftor d9", "Vx-561", "CTP-656", "VX-561", "Deutivacaftor component of alyftrek", "Deutivacaftor"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5314934", "category": ["biolink:ChemicalEntity"], "name": "VANZACAFTOR", "xref": ["InChIKey:VCSUIBJKYCVWNF-NRFANRHFSA-N", "SMILES:CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3N1C2"], "synonym": ["Vanzacaftor", "Vanzacaftor", "Vx-121", "VX-121", "Vanzacaftor component of alyftrek", "Vanzacaftor"], "chembl_availability_type": "prescription only"}
{"name": "Penicillin-binding protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4269"], "id": "UniProtKB:Q5D1F0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095401", "category": ["biolink:ChemicalEntity"], "name": "IPTACOPAN HYDROCHLORIDE", "xref": ["InChIKey:JUWBBUFSAGEROP-VVJLZRNGSA-N", "SMILES:CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1.Cl.O"], "synonym": ["Iptacopan hydrochloride", "Iptacopan hydrochloride", "Fabhalta", "Iptacopan hydrochloride monohydrate", "LNP-023 HYDROCHLORIDE MONOHYDRATE", "LNP-023-AAB", "LNP023-AAB", "NVP-LNP023-AAB", "Fabhalta", "Iptacopan hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068400", "category": ["biolink:ChemicalEntity"], "name": "GIVINOSTAT HYDROCHLORIDE", "xref": ["InChIKey:FKGKZBBDJSKCIS-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1.Cl.O"], "synonym": ["Givinostat hydrochloride", "ITF-2357 HYDROCHLORIDE MONOHYDRATE", "ITF2357 HYDROCHLORIDE", "ITF2357 HYDROCHLORIDE MONOHYDRATE", "Duvyzat", "Givinostat hydrochloride"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL92", "category": ["biolink:ChemicalEntity"], "name": "DOCETAXEL ANHYDROUS", "xref": ["InChIKey:ZDZOTLJHXYCWBA-VCVYQWHSSA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"], "synonym": ["Docetaxel anhydrous", "Bind 014", "Cabazitaxel metabolite (rp56976)", "Docetaxel anhydrous", "Docetaxel kabi", "Docetaxel mylan", "Docetaxel teva pharma", "Docetaxel, anhydrous", "Rp56976", "CKD-810", "NSC-628503", "Docefrez", "Docetaxel kabi", "Docetaxel mylan", "Docetaxel teva pharma", "Docetaxel winthrop"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068496", "category": ["biolink:ChemicalEntity"], "name": "RESPIRATORY SYNCYTIAL VIRUS PRE-FUSION GLYCOPROTEIN F MRNA", "synonym": ["Respiratory syncytial virus pre-fusion glycoprotein f mrna", "Rna-100-ar02", "Mresvia"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068333", "category": ["biolink:ChemicalEntity"], "name": "CLOPIDOGREL BESILATE", "xref": ["InChIKey:CUZIJKLLBDXNFV-RSAXXLAASA-N", "SMILES:COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)c1ccccc1"], "synonym": ["Clopidogrel besilate", "Clopidogrel besylate", "Clopidogrel 1a pharma", "Clopidogrel 1a-pharma", "Clopidogrel acino", "Clopidogrel acino pharma", "Clopidogrel acino pharma gmbh", "Clopidogrel apotex", "Clopidogrel hexal", "Clopidogrel ratiopharm gmbh", "Clopidogrel sandoz", "Clopidogrel viatris (previously clopidogrel taw pharma)", "Clopidogrel-ratiopharm", "Grepid"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6068370", "category": ["biolink:ChemicalEntity"], "name": "NEISSERIA MENINGITIDIS OUTER MEMBRANE VESICLES", "synonym": ["Neisseria meningitidis outer membrane vesicles", "Neisseria meningitidis outer membrane vesicles component of bexsero"]}
{"id": "CHEMBL.TARGET:CHEMBL5500293", "category": ["biolink:CellularComponent"], "name": "Outer membrane vesicles"}
{"id": "CHEMBL.COMPOUND:CHEMBL1359", "category": ["biolink:ChemicalEntity"], "name": "ERTAPENEM", "xref": ["InChIKey:JUZNIMUFDBIJCM-ANEDZVCMSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12"], "synonym": ["Ertapenem", "Ertapenem", "Ertapenem", "Ertapenem"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068371", "category": ["biolink:ChemicalEntity"], "name": "NEISSERIA MENINGITIDIS NEISSERIAL HEPARIN BINDING ANTIGEN", "synonym": ["Neisseria meningitidis neisserial heparin binding antigen", "Neisseria meningitidis neisserial heparin binding antigen component of bexsero"]}
{"name": "Neisserial heparin binding antigen", "xref": ["CHEMBL.TARGET:CHEMBL5500291"], "id": "UniProtKB:Q9JPP1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:487"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068492", "category": ["biolink:ChemicalEntity"], "name": "PROTHROMBIN", "synonym": ["Prothrombin", "Factor ii (prothrombin)", "Prothrombin component of balfaxar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108974", "category": ["biolink:ChemicalEntity"], "name": "INSULIN HUMAN ZINC", "synonym": ["Insulin human zinc", "Insulin human zinc", "Monotard", "Ultratard", "Insulin human zinc"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594581", "category": ["biolink:ChemicalEntity"], "name": "INSULIN ICODEC", "synonym": ["Insulin icodec", "Insulin icodec", "Insulin icodec", "Insulin 287", "Insulin icodec", "Long-acting-insulin-287", "Nnc0148-0287", "NN1436", "NNC0148-0287", "NNC01480287", "Awiqli", "Insulin icodec component of nn1535 icosema", "Insulin icodec component of nn1535 laisema", "Insulin icodec"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068332", "category": ["biolink:ChemicalEntity"], "name": "TENOFOVIR DISOPROXIL MALEATE", "xref": ["InChIKey:VCMJCVGFSROFHV-VIEYUMQNSA-N", "SMILES:CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.O=C(O)/C=C\\C(=O)O"], "synonym": ["Tenofovir disoproxil maleate", "Tenofovir disoproxil mylan"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6068385", "category": ["biolink:ChemicalEntity"], "name": "INFLUENZA B VIRUS, INACTIVATED NEURAMINIDASE", "synonym": ["Influenza b virus, inactivated neuraminidase", "Influenza b virus, inactivated neuraminidase component of fluad tetra", "Influenza b virus, inactivated neuraminidase component of flucelvax tetra", "Influenza b virus, inactivated neuraminidase component of optaflu"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068377", "category": ["biolink:ChemicalEntity"], "name": "INFLUENZA A VIRUS HEMAGGLUTININ", "synonym": ["Influenza a virus hemagglutinin", "Influenza a virus hemagglutinin component of supemtek"]}
{"name": "Hemagglutinin", "xref": ["CHEMBL.TARGET:CHEMBL1932897"], "id": "UniProtKB:P03437", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:387139"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068365", "category": ["biolink:ChemicalEntity"], "name": "STREPTOCOCCUS PNEUMONIAE POLYSACCHARIDE CONJUGATED TO CORYNEBACTERIUM DIPHTHERIAE TOXOID", "synonym": ["Streptococcus pneumoniae polysaccharide conjugated to corynebacterium diphtheriae toxoid", "Streptococcus pneumoniae polysaccharide conjugated to corynebacterium diphtheriae toxoid component of synflorix"]}
{"id": "CHEMBL.TARGET:CHEMBL5500297", "category": ["biolink:MolecularEntity"], "name": "Polysaccharide conjugated to Corynebacterium diphtheriae toxoid"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068366", "category": ["biolink:ChemicalEntity"], "name": "STREPTOCOCCUS PNEUMONIAE POLYSACCHARIDE CONJUGATED TO TETANUS TOXOID", "synonym": ["Streptococcus pneumoniae polysaccharide conjugated to tetanus toxoid", "Streptococcus pneumoniae polysaccharide conjugated to tetanus toxoid component of synflorix"]}
{"id": "CHEMBL.TARGET:CHEMBL5500299", "category": ["biolink:MolecularEntity"], "name": "Polysaccharide conjugated to Tetanus toxoid"}
{"id": "CHEMBL.COMPOUND:CHEMBL4458276", "category": ["biolink:ChemicalEntity"], "name": "ENMETAZOBACTAM", "xref": ["InChIKey:HFZITXBUTWITPT-YWVKMMECSA-N", "SMILES:C[n+]1ccn(C[C@@]2(C)[C@H](C(=O)[O-])N3C(=O)C[C@H]3S2(=O)=O)n1"], "synonym": ["Enmetazobactam", "AAI-101", "AAI101", "OCID-5090", "Enmetazobactam component of exblifep", "Enmetazobactam"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4594607", "category": ["biolink:ChemicalEntity"], "name": "APADAMTASE ALFA", "synonym": ["Apadamtase alfa", "Apadamtase alfa", "Apadamtasa alfa", "Adamts13 q23, recombinant", "Adamts13 q23, recombinant human", "Adamts13, recombinant human", "Apadamtase alfa", "Bax930", "Native radamts13 q23", "Recombinant adamts-13", "Recombinant human adamts13", "Shp655", "BAX 930", "BAX-930", "RADAMTS-13", "RADAMTS-13 Q23", "RADAMTS13 Q23", "SHP-655", "SHP655", "TAK-755", "TAK755", "rADAMTS13", "Adzynma", "Apadamtase alfa"], "chembl_availability_type": "prescription only"}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 13", "xref": ["CHEMBL.TARGET:CHEMBL2346492"], "id": "UniProtKB:Q76LX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650818", "category": ["biolink:ChemicalEntity"], "name": "AMDINOCILLIN PIVOXIL", "xref": ["InChIKey:NPGNOVNWUSPMDP-UTEPHESZSA-N", "SMILES:CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C"], "synonym": ["Pivmecillinam", "Pivmecillinam", "Pivmecillinam hydrochloride", "Pivmecillinam hydrochloride", "Pivmecillinam", "Pivmecilinam", "Pivmecillinam", "Pivmecillinam hydrochloride", "Amdinocillin pivoxil", "Amdinocillin pivoxil", "Pivmecillinam", "Pivya", "RO 10-9071", "RO-10-9071", "Pivya", "Selexid", "Amdinocillin pivoxil"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068382", "category": ["biolink:ChemicalEntity"], "name": "SARS-COV-2 VIRUS SPIKE PROTEIN", "synonym": ["Sars-cov-2 virus spike protein", "Nuvaxovid", "Vidprevtyn beta"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068384", "category": ["biolink:ChemicalEntity"], "name": "INFLUENZA B VIRUS, INACTIVATED HEMAGGLUTININ", "synonym": ["Influenza b virus, inactivated hemagglutinin", "Influenza b virus, inactivated hemagglutinin component of fluad tetra", "Influenza b virus, inactivated hemagglutinin component of flucelvax tetra", "Influenza b virus, inactivated hemagglutinin component of optaflu"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1251", "category": ["biolink:ChemicalEntity"], "name": "GANIRELIX", "xref": ["InChIKey:GJNXBNATEDXMAK-PFLSVRRQSA-N", "SMILES:CC/N=C(\\NCC)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN/C(=N/CC)NCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O"], "synonym": ["Ganirelix", "Ganirelix", "Ganirelix", "Ganirelix", "Ganirelix", "Orgalutran"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1204187", "category": ["biolink:ChemicalEntity"], "name": "GEPIRONE HYDROCHLORIDE", "xref": ["InChIKey:DGOCVISYYYQFEP-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1.Cl"], "synonym": ["Gepirone hydrochloride", "Gepirone hcl", "Gepirone hydrochloride", "Org-33062", "Travivo", "BMY 13805-1", "BMY-13805-1", "ORG 33062", "TGFK07AD", "Exxua", "Gepirone hydrochloride"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL5095275", "category": ["biolink:ChemicalEntity"], "name": "EFANESOCTOCOG ALFA", "synonym": ["Efanesoctocog alfa", "Efanesoctocog alfa", "Altuviiio", "Efanesoctocog alfa", "Efanesoctocog alfa-ehtl", "Altuviiio", "Altuvoct"], "chembl_availability_type": "prescription only"}
{"name": "MecA", "xref": ["CHEMBL.TARGET:CHEMBL6187"], "id": "UniProtKB:Q7DHH4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416410", "category": ["biolink:ChemicalEntity"], "name": "DASATINIB", "xref": ["InChIKey:XHXFZZNHDVTMLI-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.O"], "synonym": ["Dasatinib", "Dasatinib hydrate", "Dasatinib monohydrate", "BMS-354825 HYDRATE", "BMS-354825-03", "NSC-759877", "Dasatinib accord healthcare", "Sprycel"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802254", "category": ["biolink:ChemicalEntity"], "name": "AFAMITRESGENE AUTOLEUCEL", "synonym": ["Afamitresgene autoleucel", "MAGE-A4c1032T", "Tecelra", "Afamitresgene autoleucel"], "chembl_black_box_warning": "True"}
{"name": "Melanoma-associated antigen 4", "xref": ["CHEMBL.TARGET:CHEMBL4296022"], "id": "UniProtKB:P43358", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068343", "category": ["biolink:ChemicalEntity"], "name": "CLOPIDOGREL HYDROBROMIDE", "xref": ["InChIKey:QKLHYWAZTQRTBR-RSAXXLAASA-N", "SMILES:Br.COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1"], "synonym": ["Clopidogrel hydrobromide", "Clopidogrel teva pharma b.v."], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5314796", "category": ["biolink:ChemicalEntity"], "name": "SELVACOVATEIN", "synonym": ["Selvacovatein", "Selvacovatein", "Selvacovateine", "Selvacovateina", "Bimervax"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068380", "category": ["biolink:ChemicalEntity"], "name": "CHIMPANZEE ADENOVIRUS ENCODING SARS-COV-2 SPIKE GLYCOPROTEIN", "synonym": ["Chimpanzee adenovirus encoding sars-cov-2 spike glycoprotein", "Vaxzevria (previously covid-19 vaccine astrazeneca)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068491", "category": ["biolink:ChemicalEntity"], "name": "PROTEIN S HUMAN", "synonym": ["Protein s human", "Protein s", "Protein s human component of balfaxar"]}
{"name": "Peptidoglycan D,D-transpeptidase FtsI", "xref": ["CHEMBL.TARGET:CHEMBL5500282"], "id": "UniProtKB:C3TQQ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068493", "category": ["biolink:ChemicalEntity"], "name": "STREPTOCOCCUS PNEUMONIAE POLYSACCHARIDE CONJUGATED TO CORYNEBACTERIUM DIPHTHERIAE CRM197", "synonym": ["Streptococcus pneumoniae polysaccharide conjugated to corynebacterium diphtheriae crm197", "Streptococcus pneumoniae polysaccharide conjugated to corynebacterium diphtheriae crm197", "Streptococcus pneumoniae type 10a capsular polysaccharide diphtheria crm197 protein conjugate antigen", "Streptococcus pneumoniae type 11a capsular polysaccharide diphtheria crm197 protein conjugate antigen", "Streptococcus pneumoniae type 12f capsular polysaccharide diphtheria crm197 protein conjugate antigen", "Streptococcus pneumoniae type 15a capsular polysaccharide diphtheria crm197 protein conjugate antigen", "Streptococcus pneumoniae type 16f capsular polysaccharide diphtheria crm197 protein conjugate antigen", "Streptococcus pneumoniae type 17f capsular polysaccharide diphtheria crm197 protein conjugate antigen", "Streptococcus pneumoniae type 19a capsular polysaccharide diphtheria crm197 protein conjugate antigen", "Streptococcus pneumoniae type 20a capsular polysaccharide diphtheria crm197 protein conjugate antigen", "Streptococcus pneumoniae type 22f capsular polysaccharide diphtheria crm197 protein conjugate antigen", "Corynebacterium diphtheriae crm197 protein component of capvaxive", "Prevenar", "Prevenar 13", "Prevenar 20 (previously apexxnar)", "Streptococcus pneumoniae type 10a capsular polysaccharide diphtheria crm197 protein conjugate antigen component of capvaxive", "Streptococcus pneumoniae type 11a capsular polysaccharide diphtheria crm197 protein conjugate antigen component of capvaxive", "Streptococcus pneumoniae type 12f capsular polysaccharide diphtheria crm197 protein conjugate antigen component of capvaxive", "Streptococcus pneumoniae type 15a capsular polysaccharide diphtheria crm197 protein conjugate antigen component of capvaxive", "Streptococcus pneumoniae type 16f capsular polysaccharide diphtheria crm197 protein conjugate antigen component of capvaxive", "Streptococcus pneumoniae type 17f capsular polysaccharide diphtheria crm197 protein conjugate antigen component of capvaxive", "Streptococcus pneumoniae type 19a capsular polysaccharide diphtheria crm197 protein conjugate antigen component of capvaxive", "Streptococcus pneumoniae type 20a capsular polysaccharide diphtheria crm197 protein conjugate antigen component of capvaxive", "Streptococcus pneumoniae type 22f capsular polysaccharide diphtheria crm197 protein conjugate antigen component of capvaxive", "Vaxneuvance"]}
{"id": "CHEMBL.TARGET:CHEMBL5498506", "category": ["biolink:MolecularEntity"], "name": "Polysaccharide conjugated to Corynebacterium diphtheriae CRM197"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068348", "category": ["biolink:ChemicalEntity"], "name": "BORDETELLA PERTUSSIS FILAMENTOUS HEMAGGLUTININ", "synonym": ["Bordetella pertussis filamentous hemagglutinin", "Bordetella pertussis filamentous hemagglutinin component of hexacima", "Bordetella pertussis filamentous hemagglutinin component of hexavac", "Bordetella pertussis filamentous hemagglutinin component of hexyon", "Bordetella pertussis filamentous hemagglutinin component of infanrix hepb", "Bordetella pertussis filamentous hemagglutinin component of infanrix hexa", "Bordetella pertussis filamentous hemagglutinin component of infanrix penta", "Bordetella pertussis filamentous hemagglutinin component of triacelluvax", "Bordetella pertussis filamentous hemagglutinin component of vaxelis"]}
{"name": "Filamentous hemagglutinin", "xref": ["CHEMBL.TARGET:CHEMBL5500287"], "id": "UniProtKB:P12255", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:257313"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068478", "category": ["biolink:ChemicalEntity"], "name": "LAZERTINIB MESYLATE", "xref": ["InChIKey:ZJPNGZUERUYZEG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC)cc1N1CCOCC1.CS(=O)(=O)O.O"], "synonym": ["Lazertinib mesylate", "Lazertinib mesilate hydrate", "Lazcluze", "Lazertinib mesilate hydrate", "Lazertinib mesylate monohydrate", "JNJ-73841937-ZCY", "R-605024", "R605024", "YH25448AM", "Lazcluze", "Leclaza", "Lazertinib mesylate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6068334", "category": ["biolink:ChemicalEntity"], "name": "SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE", "xref": ["InChIKey:YPULIQLVSSZRST-KLQYNRQASA-N", "SMILES:Cl.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O"], "synonym": ["Sitagliptin hydrochloride monohydrate", "Sitagliptin accord"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068361", "category": ["biolink:ChemicalEntity"], "name": "INFLUENZA A VIRUS, INACTIVATED HEMAGGLUTININ", "synonym": ["Influenza a virus, inactivated hemagglutinin", "Influenza a virus, inactivated hemagglutinin component of aflunov", "Influenza a virus, inactivated hemagglutinin component of celldemic", "Influenza a virus, inactivated hemagglutinin component of fluad tetra", "Influenza a virus, inactivated hemagglutinin component of flucelvax tetra", "Influenza a virus, inactivated hemagglutinin component of focetria", "Influenza a virus, inactivated hemagglutinin component of foclivia", "Influenza a virus, inactivated hemagglutinin component of incellipan", "Influenza a virus, inactivated hemagglutinin component of optaflu", "Influenza a virus, inactivated hemagglutinin component of zoonotic influenza vaccine seqirus"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41632", "category": ["biolink:ChemicalEntity"], "name": "TIRATRICOL", "xref": ["InChIKey:UOWZUVNAGUAEQC-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1"], "synonym": ["Tiratricol", "Tiratricol", "3,5,3'-triiodothyroacetate", "Tiracana", "Tiratricol", "Triac", "NSC-759294", "Levothyroxine sodium impurity, triiodothyroacetic acid, or t3-acetic acid-", "T3-acetic acid", "Triiodothyroacetic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6068489", "category": ["biolink:ChemicalEntity"], "name": "RESPIRATORY SYNCYTIAL VIRUS PRE-FUSION GLYCOPROTEIN F", "synonym": ["Respiratory syncytial virus pre-fusion glycoprotein f", "Recombinant respiratory syncytial virus pre-fusion f protein antigen", "Recombinant stabilized rsv a prefusion f antigen", "Recombinant stabilized rsv b prefusion f antigen", "Respiratory syncytial virus pre-fusion glycoprotein f", "Abrysvo", "Arexvy", "Recombinant stabilized rsv a prefusion f antigen component of abrysvo", "Recombinant stabilized rsv b prefusion f antigen component of abrysvo"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650241", "category": ["biolink:ChemicalEntity"], "name": "DELANDISTROGENE MOXEPARVOVEC", "synonym": ["Delandistrogene moxeparvovec", "Delandistrogene moxeparvovec", "SRP-9001", "Delandistrogene moxeparvovec component of elevidys", "Delandistrogene moxeparvovec"], "chembl_availability_type": "prescription only"}
{"name": "Dystrophin", "xref": ["CHEMBL.TARGET:CHEMBL5498504"], "id": "UniProtKB:P11532", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068367", "category": ["biolink:ChemicalEntity"], "name": "STREPTOCOCCUS PNEUMONIAE POLYSACCHARIDE CONJUGATED TO HAEMOPHILUS INFLUENZAE PROTEIN D", "synonym": ["Streptococcus pneumoniae polysaccharide conjugated to haemophilus influenzae protein d", "Streptococcus pneumoniae polysaccharide conjugated to haemophilus influenzae protein d component of synflorix"]}
{"id": "CHEMBL.TARGET:CHEMBL5500298", "category": ["biolink:MolecularEntity"], "name": "Polysaccharide conjugated to Haemophilus influenzae Protein D"}
{"name": "Cell shape peptidoglycan synthetase penicillin-binding protein 2", "synonym": ["Peptidoglycan D,D-transpeptidase MrdA"], "xref": ["CHEMBL.TARGET:CHEMBL3309036"], "id": "UniProtKB:Q2TL65", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068381", "category": ["biolink:ChemicalEntity"], "name": "ADENOVIRUS TYPE 26 ENCODING SARS-COV-2 SPIKE GLYCOPROTEIN", "synonym": ["Adenovirus type 26 encoding sars-cov-2 spike glycoprotein", "Jcovden (previously covid-19 vaccine janssen)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650320", "category": ["biolink:ChemicalEntity"], "name": "MOLNUPIRAVIR", "xref": ["InChIKey:HTNPEHXGEKVIHG-QCNRFFRDSA-N", "SMILES:CC(C)C(=O)OC[C@H]1O[C@@H](n2cc/c(=N\\O)[nH]c2=O)[C@H](O)[C@@H]1O"], "synonym": ["Molnupiravir", "Molnupiravir", "Eidd 1931-isopropyl ester", "Eidd-2801", "Molnupiravir", "EIDD-1931 ISOPROPYL ESTER", "EIDD-2801", "MK-4482", "Molnupiravir"], "chembl_prodrug": true}
{"id": "CHEMBL.TARGET:CHEMBL5604041", "category": ["biolink:NucleicAcidEntity"], "name": "RNA"}
{"id": "CHEMBL.COMPOUND:CHEMBL3990041", "category": ["biolink:ChemicalEntity"], "name": "NADOFARAGENE FIRADENOVEC", "synonym": ["Nadofaragene firadenovec", "Nadofaragene firadenovec", "Nadofaragen firadenovec", "Nadofaragene firadenovec", "Nadofaragene firadenovec vncg", "Nadofaragene firadenovec-vncg", "rAd-IFN", "rAd-IFN-2b", "Instiladrin", "Nadofaragene firadenovec"]}
{"name": "Interferon alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL3713000"], "id": "UniProtKB:P01563", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6068337", "category": ["biolink:ChemicalEntity"], "name": "LENALIDOMIDE HYDROCHLORIDE MONOHYDRATE", "xref": ["InChIKey:NEUSAGZHGGOOIV-UHFFFAOYSA-N", "SMILES:Cl.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O"], "synonym": ["Lenalidomide hydrochloride monohydrate", "Lenalidomide krka (previously lenalidomide krka d.d. novo mesto)", "Lenalidomide krka d.d.", "Lenalidomide krka d.d. novo mesto (previously lenalidomide krka)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594515", "category": ["biolink:ChemicalEntity"], "name": "LOSATUXIZUMAB VEDOTIN", "synonym": ["Losatuxizumab vedotin", "Losatuxizumab vedotine", "Losatuxizumab vedotina", "Abbv 221", "Abbv-221", "Losatuxizumab vedotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314782", "category": ["biolink:ChemicalEntity"], "name": "TRASTUZUMAB BOTIDOTIN", "synonym": ["Trastuzumab botidotin", "Trastuzumab botidotine", "Trastuzumab botidotina", "A 166", "A-166", "A166"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095273", "category": ["biolink:ChemicalEntity"], "name": "DISITAMAB VEDOTIN", "synonym": ["Disitamab vedotin", "R48-ADC", "Disitamab vedotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314722", "category": ["biolink:ChemicalEntity"], "name": "ALEMTUZUMAB BETA", "synonym": ["Alemtuzumab beta", "Alemtuzumab beta", "Alemtuzumab beta"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095312", "category": ["biolink:ChemicalEntity"], "name": "MECBOTAMAB VEDOTIN", "synonym": ["Mecbotamab vedotin", "Mecbotamab vedotine", "Mecbotamab vedotina", "Mecbotamab vedotin", "BA-3011", "BA3011", "Mecbotamab vedotin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297872", "category": ["biolink:ChemicalEntity"], "name": "EPRATUZUMAB-CYS-TESIRINE", "synonym": ["Adc adct-602", "Adct 602", "Adct-602", "Adct602", "Antibody-drug conjugate adct-602", "Epratuzumab tesirine", "Epratuzumab-cys-sg3249", "Epratuzumab-cys-tesirine", "Hll2-cys-pbd", "ADCT-602", "HLL2-TESIRINE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297991", "category": ["biolink:ChemicalEntity"], "name": "PIVEKIMAB SUNIRINE", "synonym": ["Pivekimab sunirine", "Imgn-632", "Imgn632", "Pivekimab sunirine", "IMGN-632", "IMGN632", "Pivekimab sunirine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314879", "category": ["biolink:ChemicalEntity"], "name": "SIGVOTATUG VEDOTIN", "synonym": ["Sigvotatug vedotin", "Sigvotatug vedotine", "Sigvotatug vedotina", "Sigvotatug vedotin"]}
{"name": "Integrin beta-6", "xref": ["CHEMBL.TARGET:CHEMBL4876"], "id": "UniProtKB:P18564", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL312443", "category": ["biolink:ChemicalEntity"], "name": "GABOXADOL", "xref": ["InChIKey:ZXRVKCBLGJOCEE-UHFFFAOYSA-N", "SMILES:Oc1noc2c1CCNC2"], "synonym": ["Gaboxadol", "Gaboxadol", "Gaboxadol", "LU 02-030", "LU-02-030", "LU-02030", "MK-0928", "NSC-759585", "Gaboxadol"], "chembl_natural_product": true}
{"id": "CHEMBL.TARGET:CHEMBL3430899", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-4/beta3/delta"}
{"id": "CHEMBL.COMPOUND:CHEMBL3581693", "category": ["biolink:ChemicalEntity"], "name": "BRILANESTRANT", "xref": ["InChIKey:BURHGPHDEVGCEZ-KJGLQBJMSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl"], "synonym": ["Brilanestrant", "Brilanestrant", "Gdc-0810", "ARN-810", "GDC-0810", "RG-6046", "RG6046", "Brilanestrant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314878", "category": ["biolink:ChemicalEntity"], "name": "SIGVOTATUG", "synonym": ["Sigvotatug", "Sigvotatug", "Sigvotatug"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095485", "category": ["biolink:ChemicalEntity"], "name": "RETATRUTIDE", "synonym": ["Retatrutide", "Retatrutide", "Retatrutide", "Retatrutide", "LY-3437943", "LY3437943", "Retatrutide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314776", "category": ["biolink:ChemicalEntity"], "name": "SURVODUTIDE", "synonym": ["Survodutide", "Survodutide", "Survodutida", "Survodutide", "BI 456906", "BI-456906", "BI456906", "Survodutide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2109279", "category": ["biolink:ChemicalEntity"], "name": "RG-7598", "synonym": ["DFRF4539A", "RG-7598"]}
{"name": "Fc receptor-like protein 5", "xref": ["CHEMBL.TARGET:CHEMBL6066101"], "id": "UniProtKB:Q96RD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297639", "category": ["biolink:ChemicalEntity"], "name": "LORECIVIVINT", "xref": ["InChIKey:AQDWDWAYVBQMAM-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5cncc(-c6cccc(F)c6)c5[nH]4)c3c2)c1"], "synonym": ["Lorecivivint", "Lorecivivint", "Lorecivivint", "Adavivint", "Lorecivivint", "Sm04690", "SM-04690", "SM04690", "Lorecivivint"]}
{"name": "Dual specificity tyrosine-phosphorylation-regulated kinase 1A", "xref": ["CHEMBL.TARGET:CHEMBL2292"], "id": "UniProtKB:Q13627", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650329", "category": ["biolink:ChemicalEntity"], "name": "AFIMETORAN", "xref": ["InChIKey:SNFVHLQYHFQOEP-UHFFFAOYSA-N", "SMILES:Cc1c(-c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)cn2ncnc2c1C"], "synonym": ["Afimetoran", "Afimetoran", "Bms-986256", "BMS 986256", "BMS-986256", "Afimetoran"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650245", "category": ["biolink:ChemicalEntity"], "name": "ROZIBAFUSP ALFA", "synonym": ["Rozibafusp alfa", "Rozibafusp alfa", "AMG 570", "AMG-570", "MEDI-0700", "Rozibafusp alfa"]}
{"name": "Dual specificity protein kinase CLK2", "xref": ["CHEMBL.TARGET:CHEMBL4225"], "id": "UniProtKB:P49760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43048", "category": ["biolink:ChemicalEntity"], "name": "MIDOMAFETAMINE", "xref": ["InChIKey:SHXWCVYOXRDMCX-UHFFFAOYSA-N", "SMILES:CNC(C)Cc1ccc2c(c1)OCO2"], "synonym": ["Midomafetamine", "Midomafetamina", "Mdma", "3,4-methylenedioxymetamphetamine", "3,4-methylenedioxymethamphetamine", "Ecstasy", "Mandy", "Methylenedioxy methamphetamine", "Methylenedioxymetamphetamine", "Methylenedioxymethamfetamine", "Methylenedioxymethamphetamine", "Midomafetamine", "Molly", "Midomafetamine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3707247", "category": ["biolink:ChemicalEntity"], "name": "OZANIMOD", "xref": ["InChIKey:XRVDGNKRPOAQTN-FQEVSTJZSA-N", "SMILES:CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N"], "synonym": ["Ozanimod", "Ozanimod", "Ozanimod", "RPC-1063", "RPC1063", "Ozanimod"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1628227", "category": ["biolink:ChemicalEntity"], "name": "DOXEPIN", "xref": ["InChIKey:ODQWQRRAPPTVAG-UHFFFAOYSA-N", "SMILES:CN(C)CCC=C1c2ccccc2COc2ccccc21"], "synonym": ["Doxepin", "Doxepin", "Doxepin", "Doxepin", "Doxepine", "Doxepina", "Doxepin", "Doxepin", "Sinepin", "Sinequan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL934", "category": ["biolink:ChemicalEntity"], "name": "METYRAPONE", "xref": ["InChIKey:FJLBFSROUSIWMA-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)c1cccnc1)c1cccnc1"], "synonym": ["Metyrapone", "Metyrapone", "Metyrapone", "Metyrapone", "Metyrapone", "Metirapona", "Metyrapone", "Metyrapone", "Metyrapone", "NSC-25265", "Metopiron", "Metopirone", "Metyrapone", "Metyrapone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL81", "category": ["biolink:ChemicalEntity"], "name": "RALOXIFENE", "xref": ["InChIKey:GZUITABIAKMVPG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12"], "synonym": ["Raloxifene", "Raloxifene", "Raloxifene", "Raloxifeno", "Raloxifene", "Eviden", "Keoxifene", "Raloxifene", "Raloxiphene", "Raxeto", "J22.982B", "LY-139481", "NSC-747974"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2108151", "category": ["biolink:ChemicalEntity"], "name": "NACOLOMAB TAFENATOX", "synonym": ["Nacolomab tafenatox"]}
{"name": "Interleukin-1 receptor-associated kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3357"], "id": "UniProtKB:P51617", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095474", "category": ["biolink:ChemicalEntity"], "name": "EXAGAMGLOGENE AUTOTEMCEL", "synonym": ["Exagamglogene autotemcel", "Exagamglogene autotemcel", "Exagamglogene autotemcel", "Exagamglogene autotemcel", "CTX-001", "CTX001", "Casgevy", "Exagamglogene autotemcel"]}
{"name": "B-cell lymphoma/leukemia 11A", "synonym": ["BCL11 transcription factor A"], "xref": ["CHEMBL.TARGET:CHEMBL5498502"], "id": "UniProtKB:Q9H165", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3508141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZRZOVSJNSBFR-WMIMUGOSSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3508152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVVIRBOJFDFBH-KDLKFWTHSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(O)CO)CC3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL417", "category": ["biolink:ChemicalEntity"], "name": "EPIRUBICIN", "xref": ["InChIKey:AOJJSUZBOXZQNB-VTZDEGQISA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1"], "synonym": ["Epirubicin", "Epirubicin", "Epirubicin", "Epirubicine", "Epirubicina", "Epirubicin", "4'-epi-adriamycin", "Epiadriamycin", "Epidoxorubicin", "Epirubicin", "Farmorubicin", "NSC-256942"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3508144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGFPRZWWKUHKF-OAQYLSRUSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3508153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBZGBXXTIGCACK-MNKSETBFSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)CC3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6067664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXOMSWXCVZBBIV-PQKSKRJKSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3508143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJIPNOEJDYNRR-QUXALOBESA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(O)CO)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1639", "category": ["biolink:ChemicalEntity"], "name": "ALISKIREN", "xref": ["InChIKey:UXOWGYHJODZGMF-QORCZRPOSA-N", "SMILES:COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC"], "synonym": ["Aliskiren", "Aliskiren", "Aliskiren", "Aliskirene", "Aliskireno", "Aliskiren", "Aliskiren", "SPP-100", "SPP100", "Rasilez", "Aliskiren"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3507701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUNQZNYUMYGGS-TUFLPTIASA-N", "SMILES:COc1ccc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3507700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOJYSLNNIPUEPC-ZJZGAYNASA-N", "SMILES:COc1ccc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc1OCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3507697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLWFINTGGHHBQ-MLCQCVOFSA-N", "SMILES:COc1ccc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc1OCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3507699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDBISPSZMTXRB-LCXINAFSSA-N", "SMILES:COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3507696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXQBXBKZZSXTDC-ABCLQQFUSA-N", "SMILES:COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3507695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFUHHAMXSRNVEH-OROYPVQVSA-N", "SMILES:COc1ccc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3507704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCUIZDBXYKOADQ-KGSLCBSSSA-N", "SMILES:COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H]2C[C@H](C(C)C)C(=O)O2)C(C)C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3507703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCFHYFVMIMKBHH-FWEHEUNISA-N", "SMILES:COCCCOc1cc(C[C@@H](C[C@H](NC(C)=O)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3508696", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3508697", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBSDZVEXCMDRX-DAELLWKTSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C(CO)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFDPYPMRHKQTDM-IMAGCOIZSA-N", "SMILES:C=C1C[C@@H]2[C@H](CC[C@]3(C)C(O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPIRAYJPQBHGB-SMBYFMJGSA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NC(O)CN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYPECVVIPYPRW-CCJULLHPSA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\CO)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHDVGFMTDZHEFC-KWBXMQLWSA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](O)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSOPKYEEDRVSD-XMBVWQFMSA-N", "SMILES:CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)/C(C)=C/C=C\\[C@H](O)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHFXFGYYAHGIY-OKSFYDSZSA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(/N=C/CN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPLFHWBGPQLBU-WVMULNPOSA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NC(O)CN(C)C)=C(C[C@@H](CO)C[C@H](OC)[C@H](O)[C@@H](CO)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1140", "category": ["biolink:ChemicalEntity"], "name": "NIACINAMIDE", "xref": ["InChIKey:DFPAKSUCGFBDDF-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccnc1"], "synonym": ["Nicotinamide", "Nicotinamide", "Niacinamide", "Nicotinamide", "Nicotinamida", "Nicotinamide", "Niacin (as niacinamide)", "Niacinamid", "Niacinamide", "Nicotinamide", "Nicotinamidum", "NSC-13128", "NSC-27452", "Freederm", "Niacinamide component of tpn", "Niacinamide component of vitaped", "Niatin", "Nicam", "Nicobion", "Papulex"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL71733", "category": ["biolink:ChemicalEntity"], "name": "TRIGONELLAMIDE", "xref": ["InChIKey:LDHMAVIPBRSVRG-UHFFFAOYSA-O", "SMILES:C[n+]1cccc(C(N)=O)c1"], "synonym": ["1-mna", "Tria-662", "Trigonellamide", "Trigonellinamide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSFUVKEHXDAPM-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc[n+]([O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQSXXWTCJPCBC-UHFFFAOYSA-N", "SMILES:Cn1cc(C(N)=O)ccc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTLRWTOPTKGYQY-UHFFFAOYSA-N", "SMILES:Cn1ccc(=O)c(C(N)=O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1201772", "category": ["biolink:ChemicalEntity"], "name": "PRASUGREL", "xref": ["InChIKey:DTGLZDAWLRGWQN-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2"], "synonym": ["Prasugrel", "Prasugrel", "Prasugrel", "Prasugrel", "Prasugrel", "LY-640315", "NSC-759625", "Efient"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJAMUSZUMAHFLH-UHFFFAOYSA-N", "SMILES:O=C1C=C2CN(C(C(=O)C3CC3)c3ccccc3F)CCC2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGWGSGYBPUVHJJ-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)C(c1ccccc1F)N1CCC2C(=CC(=O)[S+]2[O-])C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRUGUUKMIXOMMR-XFXZXTDPSA-N", "SMILES:O=C(O)/C=C1/CN(C(C(=O)C2CC2)c2ccccc2F)CCC1SO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493982", "category": ["biolink:ChemicalEntity"], "name": "VORAPAXAR", "xref": ["InChIKey:ZBGXUVOIWDMMJE-QHNZEKIYSA-N", "SMILES:CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1"], "synonym": ["Vorapaxar", "Vorapaxar", "Vorapaxar", "Vorapaxar", "Vorapaxar"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL498785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYWVNGLHQVHBJ-FRGGEYDCSA-N", "SMILES:C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](N)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527206", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHYYTGYLGLSISZ-VERGWIBFSA-N", "SMILES:C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](NC(=O)OCCO)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INNZXMKKMOQIEU-PFJWJQAKSA-N", "SMILES:N[C@@H](CCC(=O)O)C(=O)N[C@@H](CSSC1CCN(C(C(=O)C2CC2)c2ccccc2F)C/C1=C/C(=O)O)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526431", "category": ["biolink:ChemicalEntity"], "name": "R-138727", "xref": ["InChIKey:ZWUQVNSJSJHFPS-XFXZXTDPSA-N", "SMILES:O=C(O)/C=C1/CN(C(C(=O)C2CC2)c2ccccc2F)CCC1S"], "synonym": ["R-138727"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGCQOKOUKKSHS-UHFFFAOYSA-N", "SMILES:Nc1nc(CC(=O)Nc2ccc(CC(=O)O)cc2)cs1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1885632", "category": ["biolink:ChemicalEntity"], "name": "ACTARIT", "xref": ["InChIKey:MROJXXOCABQVEF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CC(=O)O)cc1"], "synonym": ["Actarit", "(p-acetamidophenyl)acetic acid", "Mirabegron (m9)", "NSC-170317", "YM-340790", "Orcl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QILVTBCJVNFIDP-NTISSMGPSA-N", "SMILES:Cl.Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVLIZWOHLWBCJE-FERBBOLQSA-N", "SMILES:CC(=O)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUDXGJPMYKMKG-VLUVEEBQSA-N", "SMILES:Nc1ccc(CCNCC(O)c2ccccc2)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151649", "category": ["biolink:ChemicalEntity"], "name": "PHENETHYLISOTHIOCYANATE", "xref": ["InChIKey:IZJDOKYDEWTZSO-UHFFFAOYSA-N", "SMILES:S=C=NCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSGBVCNCZSZCGE-KBPBESRZSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CSC(=S)NCCc1ccccc1)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074871", "category": ["biolink:ChemicalEntity"], "name": "PHENETHYL ISOCYANATE", "xref": ["InChIKey:HACRKYQRZABURO-UHFFFAOYSA-N", "SMILES:O=C=NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHWHFUJECZNPGN-KBPBESRZSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CSC(=O)NCCc1ccccc1)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL610", "category": ["biolink:ChemicalEntity"], "name": "PHENETHYLAMINE", "xref": ["InChIKey:BHHGXPLMPWCGHP-UHFFFAOYSA-N", "SMILES:NCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527295", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKLQDOWMJNKLOR-JBWRIQTRSA-N", "SMILES:Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc3)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLOKJZIHTWZDZ-FBZAMZGSSA-N", "SMILES:Nc1nc(CC(=O)Nc2ccc(CCN(C[C@H](O)c3ccccc3)C(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQGNAYBJXXZGU-AMWBNRJOSA-N", "SMILES:Nc1nc(CC(=O)Nc2ccc(CCN(CC(=O)c3ccccc3)C(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBAOMHNEDLWDN-CELOKBOESA-N", "SMILES:O=C(Cc1csc(N[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)n1)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZPAYKGJINYBZ-FBZAMZGSSA-N", "SMILES:Nc1nc(CC(=O)Nc2ccc(CCN(C[C@H](O)c3ccccc3)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCMPYQFRMCWPRK-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)N2CCCCC2CNC(=O)c2cccc(O)c2CC=O)c(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWRGCHXTGKBZKE-SFHVURJKSA-N", "SMILES:Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc(O)c2CC(=O)O)c(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPGNSJNVSLZJCQ-HXBUSHRASA-N", "SMILES:Cc1nc(C(=O)N2CCCC[C@H]2CN2C(=O)c3cccc(O)c3CC2O)c(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLCFHOWTGKAFS-IBGZPJMESA-N", "SMILES:Cc1nc(C(=O)N2CCCC[C@H]2Cn2ccc3c(O)cccc3c2=O)c(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526811", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXLKJUZPBMMLQH-SFHVURJKSA-N", "SMILES:Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3oc(O)cc23)c(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527285", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527286", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPVAHVQLBOHLGD-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)N2CCCCC2CNC(=O)c2cccc3c2C2OC2O3)c(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526813", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGJKNXMZYYHHM-AWEZNQCLSA-N", "SMILES:Cc1nc(C(=O)N2CCCC[C@H]2CN)c(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUYKCJYPNEQDD-SFHVURJKSA-N", "SMILES:Cc1nc(C(=O)N[C@@H](CCCC(=O)O)CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJAPSPJRTQCDNO-UHFFFAOYSA-N", "SMILES:Oc1noc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTTBHMCHOSMGAE-UNLLLRGISA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2noc3cc(Cl)ccc23)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL165", "category": ["biolink:ChemicalEntity"], "name": "RESVERATROL", "xref": ["InChIKey:LUKBXSAWLPMMSZ-OWOJBTEDSA-N", "SMILES:Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1"], "synonym": ["Resveratrol", "(e)-5-(p-hydroxystyryl)resorcinol", "(e)-resveratrol", "3,5,4'-trihydroxy-trans-stilbene", "Biofort", "Ca 1201", "Cuspidatin", "Jotrol", "Melinjo resveratrol 20", "Polygonin", "Resveratrol", "Resveratrol p 5", "Resveratrol(e)-form", "Resvida", "Srt 501m", "BIA 6-512", "BIA-6-512", "NSC-327430", "Trans-resveratrol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1208633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DULQFFCIVGYOFH-OWOJBTEDSA-N", "SMILES:O=S(=O)(O)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWSAYEBSTMCFKY-OTPOQTMVSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL833", "category": ["biolink:ChemicalEntity"], "name": "TICLOPIDINE", "xref": ["InChIKey:PHWBOXQYWZNQIN-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CN1CCc2sccc2C1"], "synonym": ["Ticlopidine", "Ticlopidine", "Ticlopidine", "Ticlopidina", "Ticlopidine", "Ticlopidin-puren", "Ticlopidine"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWHGEZHHJDSDMI-UHFFFAOYSA-N", "SMILES:OC1CN(Cc2ccccc2Cl)Cc2ccsc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTCLQFOWWSHJX-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C[N+]1=Cc2ccsc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZQIXWGIZIETJ-UHFFFAOYSA-N", "SMILES:O=C1C=C2CN(Cc3ccccc3Cl)CCC2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEICEJCPALKCAT-UHFFFAOYSA-N", "SMILES:[O-][N+]1(Cc2ccccc2Cl)CCc2sccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFPOEHJTLVPFO-UHFFFAOYSA-N", "SMILES:[O-][S+]1C2=C(CN(Cc3ccccc3Cl)CC2)C2C1C1C=C3CN(Cc4ccccc4Cl)CCC32[S+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXLLGWEACZMFD-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C[n+]1ccc2sccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527060", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOKNZIAHNCXDL-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC(S)C(=O)O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMSCMPJBXGKLP-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC(SSCC(N)C(=O)O)C(=O)O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKKAMJRUPIIUTC-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOFIAYRGLPPIZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC(SC)C(=O)O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSADDQGRCAESLY-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC(S)C(N)=O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527291", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRWDVEHLYSHYAE-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC(SC)C(N)=O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYGDDEAOIGHCQV-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC(C(N)=O)[S+](C)[O-])cc3)n(C)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFOSYNLCBUVBPB-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC(C(N)=O)S(C)(=O)=O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIEQYSVXVNGAOF-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQCCAQUHDYHAEX-SEPSEVTNSA-N", "SMILES:Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJFKAARBURGKF-JTBKRVEUSA-N", "SMILES:CSC(Cc1ccc(OCc2nc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3n2C)cc1)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZDNTNEFQUACB-XKNZTYMWSA-N", "SMILES:Cn1c(COc2ccc(CC3SC(=O)N([C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C3=O)cc2)nc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKRAHNGTWJBTF-BXLZEGBGSA-N", "SMILES:Cn1c(COc2ccc(CC(SC(=O)N[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)O)cc2)nc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUMSVMFZRMZEH-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(OS(=O)(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKMUGVAPJFANJQ-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccc(CC(C(N)=O)[S+](C)[O-])cc2)nc2ccc(OS(=O)(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YASNNRCADKAICW-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccc(CC(C(N)=O)S(C)(=O)=O)cc2)nc2ccc(OS(=O)(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVUSBYUJSQZGP-UHFFFAOYSA-N", "SMILES:CSC(Cc1ccc(OCc2nc3ccc(O)cc3n2C)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHROAGXRGJGULY-KXJSDLPRSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC(SC(=O)N[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(=O)O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WASSWJLBZXXADR-IIDLBEAPSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC4SC(=O)N([C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C4=O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUADXVBMFGPUEU-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCNMUUDXCHKNR-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(Cc2ccc(OCc3nc4ccc(O)cc4[nH]3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQOLTRRIYKGSB-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC4(O)SC(=O)NC4=O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZCHTFAYMASTK-UHFFFAOYSA-N", "SMILES:Cc1cc2c(F)c(Oc3ncnn4cc(OS(=O)(=O)O)c(C)c34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEGQFEHYNYZMTO-UHFFFAOYSA-N", "SMILES:Cc1c(OS(=O)(=O)O)cn2ncnc(Oc3ccc4[nH]c(C(=O)O)cc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSVNPIBNQXYPLK-UHFFFAOYSA-N", "SMILES:Cc1c(O)cn2ncnc(Oc3ccc4[nH]c(C(=O)O)cc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBBOVDMBSDVVFP-UHFFFAOYSA-N", "SMILES:Cc1cc2c(F)c(Oc3ncnn4cc(O)c(C)c34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWEJTMBUQWUDBA-KSSXRGRSSA-N", "SMILES:Cc1cc2c(F)c(Oc3ncnn4cc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c(C)c34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISHKPIXBYOQEOV-UHFFFAOYSA-N", "SMILES:Cc1c(O)cn2ncnc(Oc3ccc4[nH]c(CO)cc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFQSGODDXULMW-SECBINFHSA-N", "SMILES:Cc1c(OC[C@@H](C)O)cn2ncnc(Oc3ccc4[nH]c(C(=O)O)cc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGZOAZTZNMQRC-SECBINFHSA-N", "SMILES:Cc1c(OC[C@@H](C)OS(=O)(=O)O)cn2ncnc(Oc3ccc4[nH]c(C(=O)O)cc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOCRUTQKBXNDDN-SNVBAGLBSA-N", "SMILES:Cc1c(OC[C@@H](C)OS(=O)(=O)O)cn2ncnc(Oc3ccc4[nH]c(CO)cc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRYXTTFKQXSWLA-SNVBAGLBSA-N", "SMILES:Cc1c(OC[C@@H](C)O)cn2ncnc(Oc3ccc4[nH]c(CO)cc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSSWPIYKUYCCX-UHFFFAOYSA-N", "SMILES:Cc1cc2c(F)c(Oc3ncnn4cc(OCC(=O)O)c(C)c34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHCOOSLCVMBBW-IYYXUBSOSA-N", "SMILES:Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c(C)c34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCFTEORHPYSBL-LLVKDONJSA-N", "SMILES:Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OS(=O)(=O)O)c(C)c34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYEPDBKFCHASFG-UHFFFAOYSA-N", "SMILES:CC(=O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527184", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEBEPGSIMTQCE-ATVHPVEESA-N", "SMILES:CCN(CCO)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527192", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527293", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUXSMSOGTBJZDC-JYRVWZFOSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUJFMDVNASGNAN-ZSOIEALJSA-N", "SMILES:CCNCC(O)NC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNCVCKYIYMUMFC-ATVHPVEESA-N", "SMILES:CC[N+]([O-])(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527193", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527292", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZNIAKSBJKPQC-GDNBJRDFSA-N", "SMILES:CCNCCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPTUYGTADXVFI-SDQBBNPISA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527191", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDHEYRGEVUWJD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(CC2C(=O)Nc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNMTJYLJWAMGJ-ATVHPVEESA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(O)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527294", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQIRJHRSAQSCKU-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526689", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRGQTZFOQQMAOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZIGHWLODGDFY-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXCLWDVDHQWXLM-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYQXQUVEHPPBK-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3C(O)c3ccccc32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJYUSGQDUGFHOF-GASGPIRDSA-N", "SMILES:COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)CO)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526899", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163", "category": ["biolink:ChemicalEntity"], "name": "ATAZANAVIR", "xref": ["InChIKey:AXRYRYVKAWYZBR-GASGPIRDSA-N", "SMILES:COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C"], "synonym": ["Atazanavir", "Atazanavir", "Atazanavir", "Atazanavir", "Atazanavir", "Atazanavir", "BMS-232632", "CGP-73547", "Reyataz"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526904", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVOLKWCMALJDSO-GASGPIRDSA-N", "SMILES:COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(CO)CO)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526902", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYAZFTYXMMWGY-GASGPIRDSA-N", "SMILES:COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)CO)C(C)(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526901", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUAXFCAWZAZCNR-VNTMZGSJSA-N", "SMILES:COC(=O)N[C@H](C(=O)NNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBTUDSMHJMWVSD-SOUVJXGZSA-N", "SMILES:COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNN)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMLYGLCBSFKJFI-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBDYLYYWIQBQY-XNTDXEJSSA-N", "SMILES:CO/N=C/c1ccc(-c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQIPNZHMXANQRC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXRTZITFWDMAD-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(-c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3988901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOKMDHDJLHIQPI-WMZOPIPTSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(-c2ccccn2)cc1)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3988902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBPUXNKKKMWON-INIZCTEOSA-N", "SMILES:CC(=O)N[C@@H](CSCc1ccc(-c2ccccn2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526166", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526898", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526897", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCYFRRVVVAWHJ-QGZVFWFLSA-N", "SMILES:COC(=O)N[C@H](C(=O)NNCc1ccc(-c2ccccn2)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3988903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSGZTKGZSLNEC-SOUVJXGZSA-N", "SMILES:COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDOEPWAZDTPRH-SYQUUIDJSA-N", "SMILES:COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](N)C(C)(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXBSWCTEGIRQD-SYQUUIDJSA-N", "SMILES:COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526900", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL80254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEBIHBLFRADNM-UOWFLXDJSA-N", "SMILES:OC[C@H]1NC[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDOMDUAGAGUPQX-FSDSQADBSA-N", "SMILES:CC(=O)N1C[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDBVPWSCOUGQI-ZMMVPWHFSA-N", "SMILES:C[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)CN[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL651", "category": ["biolink:ChemicalEntity"], "name": "METHADONE", "xref": ["InChIKey:USSIQXCVUWKGNF-UHFFFAOYSA-N", "SMILES:CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1"], "synonym": ["Methadone", "Methadone", "Metadona", "Methadone", "Amidone", "Diaminon", "Dl-methadone", "Dolophin", "Heptadone", "Metasedin", "Methadone", "Phenadone", "Phy", "Symoron", "IDS-NM-002"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3542270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIYBRNSSXZMKG-UHFFFAOYSA-N", "SMILES:CCC1=[N+](C)C(C)CC1(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPZKJIHNKKJIKX-UHFFFAOYSA-N", "SMILES:CCC1=NC(C)CC1(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RODQCWPQPPLNGP-UHFFFAOYSA-N", "SMILES:CCC1N(C)C(C)CC1(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKIRBHBKCBKDH-UHFFFAOYSA-N", "SMILES:O=C1CCN(Cc2ccc3c(c2)-c2n[nH]c(=O)c4cccc(c24)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWSLDMCDFCONCL-UHFFFAOYSA-N", "SMILES:O=C1CCN(Cc2ccc3c(c2)-c2n[nH]c(=O)c4cccc(c24)O3)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCSKXTWDWVPQP-UHFFFAOYSA-N", "SMILES:O=C(O)CCN(CCO)Cc1ccc2c(c1)-c1n[nH]c(=O)c3cccc(c13)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424", "category": ["biolink:ChemicalEntity"], "name": "SALICYLIC ACID", "xref": ["InChIKey:YGSDEFSMJLZEOE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1O"], "synonym": ["Salicylic acid", "Salicylic acid", "Salicylic acid", "2-hydroxybenzoic acid", "Salicylic acid", "FEMA NO. 3985", "K-557", "NSC-180", "Acnisal", "Bazuka", "Compound v", "Compound w", "Cuplex verruca", "Dr. scholl's callus removers", "Duofilm", "Edinburgh", "Erytex", "Freezone", "Gppe paint", "Jadit", "Keralyt", "Metanium", "Necol", "Noxacorn", "Occlusal", "Phiso-clear", "Phytex", "Phytocil", "Posalfilin", "Pyralvex", "Salactol", "Salatac", "Thwart", "Toepedo", "Verrugon", "Wartex", "Lamivudine impurity, salicylic acid-", "Lamivudine related compound salicylic acid", "Salicylic acid rs"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCWDKKMLIQCMR-XFVPOMSTSA-N", "SMILES:O=C(O)c1ccccc1OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL586", "category": ["biolink:ChemicalEntity"], "name": "SALICYLURIC ACID", "xref": ["InChIKey:ONJSZLXSECQROL-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccccc1O"], "synonym": ["Salicyluric Acid (50-80-%)"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFATOOJCPDQOZ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1461", "category": ["biolink:ChemicalEntity"], "name": "GENTISIC ACID", "xref": ["InChIKey:WXTMDXOMEHJXQO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1432", "category": ["biolink:ChemicalEntity"], "name": "2,3-DIHYDROXYBENZOIC ACID", "xref": ["InChIKey:GLDQAMYCGOIJDV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(O)c1O"], "synonym": ["2,3-Dihydroxybenzoicacid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOELYYRJYYLNRR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)cc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL88", "category": ["biolink:ChemicalEntity"], "name": "CYCLOPHOSPHAMIDE ANHYDROUS", "xref": ["InChIKey:CMSMOCZEIVJLDB-UHFFFAOYSA-N", "SMILES:O=P1(N(CCCl)CCCl)NCCCO1"], "synonym": ["Cyclophosphamide (anhydrous)", "Ciclofosfamida", "Anhydrous cyclophosphamide", "Cyclophosphamide anhydrous", "Cyclophosphamide lyophilized", "Cyclophosphamide, anhydrous"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL731", "category": ["biolink:ChemicalEntity"], "name": "4-HYDROXYCYCLOPHOSPHAMIDE", "xref": ["InChIKey:RANONBLIHMVXAJ-UHFFFAOYSA-N", "SMILES:O=P1(N(CCCl)CCCl)NC(O)CCO1"], "synonym": ["4-hydroxycyclophosphamide", "NSC-196562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBMZHOCORXMDJU-UHFFFAOYSA-N", "SMILES:O=C1CCOP(=O)(N(CCCl)CCCl)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1593", "category": ["biolink:ChemicalEntity"], "name": "ALDOPHOSPHAMIDE", "xref": ["InChIKey:QMGUSPDJTPDFSF-UHFFFAOYSA-N", "SMILES:NP(=O)(OCCC=O)N(CCCl)CCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAKAJLYYGOZQL-UHFFFAOYSA-N", "SMILES:NP(=O)(OCCC(=O)O)N(CCCl)CCCl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL721", "category": ["biolink:ChemicalEntity"], "name": "ACROLEIN", "xref": ["InChIKey:HGINCPLSRVDWNT-UHFFFAOYSA-N", "SMILES:C=CC=O"], "synonym": ["Aerolein"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL525", "category": ["biolink:ChemicalEntity"], "name": "PHOSPHORAMIDE MUSTARD", "xref": ["InChIKey:RJXQSIKBGKVNRT-UHFFFAOYSA-N", "SMILES:NP(=O)(O)N(CCCl)CCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL913", "category": ["biolink:ChemicalEntity"], "name": "NORNITROGEN MUSTARD", "xref": ["InChIKey:TXFLGZOGNOOEFZ-UHFFFAOYSA-N", "SMILES:ClCCNCCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIRJKWTBBDDAR-UHFFFAOYSA-N", "SMILES:O=C1NCC(F)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKTHAKABFGARQH-UHFFFAOYSA-N", "SMILES:NC(=O)NCC(F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL886", "category": ["biolink:ChemicalEntity"], "name": "5-FLUORODEOXYURIDYLATE", "xref": ["InChIKey:HFEKDTCAMMOLQP-RRKCRQDMSA-N", "SMILES:O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1F"], "synonym": ["5-Fluoro-2-Deoxyuridine Monophosphate (Fdump)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54918", "category": ["biolink:ChemicalEntity"], "name": "5-FLUOROURIDINE", "xref": ["InChIKey:FHIDNBAQOFJWCA-UAKXSSHOSA-N", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F"], "synonym": ["5-fluorouridine", "NSC-146604"]}
{"id": "CHEMBL.COMPOUND:CHEMBL474163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBMPPYRHNWTMA-UAKXSSHOSA-N", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZCNVFQOJRHFF-UAKXSSHOSA-N", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AREUQFTVCMGENT-UAKXSSHOSA-N", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1031", "category": ["biolink:ChemicalEntity"], "name": "5-HYDROXY-DICLOFENAC", "xref": ["InChIKey:VNQURRWYKFZKJZ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1033", "category": ["biolink:ChemicalEntity"], "name": "3'-HYDROXY-4'-METHOXY-DICLOFENAC", "xref": ["InChIKey:YALZBLAHGKGDMB-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(Nc2ccccc2CC(=O)O)c(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEDURHPFVXALT-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2)(c2ccc(O)cc2)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYKZSJKDMUDIE-MXYJCWFVSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2)(c2ccc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPRLRPJSPWQNC-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2)(c2cccc(O)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEKFEKCXIDMIS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(C2=CC(O)C(O)C=C2)(c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3548560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEKVOUOQUHVHS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2)(c2ccc(O)c(O)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJBKAOEYINXGB-PDHYLSHYSA-N", "SMILES:O=C(O)[C@H]1OC(ON2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UESCARMREGSPTP-UHFFFAOYSA-N", "SMILES:NC(=O)NC(C(=O)O)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBONNYNNFBAKLI-UHFFFAOYSA-N", "SMILES:NC(C(=O)O)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJKSTNFUSXHVRJ-ZEUMIXTGSA-N", "SMILES:CCC(C)(C)C(=O)O[C@H]1C[C@](C)(O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHTMJJNBYMYMRV-OCBGJMJYSA-N", "SMILES:CCC(C)(C)C(=O)O[C@H]1CC(C)=CC2=CC(O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTQWJUBUXHODX-BGYTUHEHSA-N", "SMILES:C=C1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(C)(C)CC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPFRGQBOVFFQM-HGQWONQESA-N", "SMILES:CCC(C)(C)C(=O)O[C@H]1C[C@@H](CO)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRMLBJLSDIWTC-AEEZTXMNSA-N", "SMILES:CCC(C)(C)C(=O)O[C@H]1C[C@@H](C(=O)O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544730", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29", "category": ["biolink:ChemicalEntity"], "name": "PENICILLIN G", "xref": ["InChIKey:JGSARLDLIJGVTE-MBNYWOFBSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O"], "synonym": ["Benzylpenicillin", "Benzylpenicillin", "Benzylpenicillin", "Benzylpenicilline", "Bencilpenicilina", "Penicillin g", "Benzyl penicillin", "Benzylpenicillin", "Penicillin g", "J01CE01", "NSC-193396", "Crystapen g"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1235368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCYWNSXLUZRKJX-RWMBFGLXSA-N", "SMILES:CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWFMQCGNBOTQP-OLZOCXBDSA-N", "SMILES:CC1(C)S[C@H](CNC(=O)Cc2ccccc2)N[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWVQSTKLRKPNJS-HRCADAONSA-N", "SMILES:CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)OCC(=O)CO)N[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRXOKASXANNMU-XLMXVRBTSA-N", "SMILES:CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)OCC(O)CO)N[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWTFYDWYANZTFC-UPHJKXPDSA-N", "SMILES:CC1(C)S[C@H]([C@H](NC(=O)C(O)c2ccccc2)C(=O)O)N[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKQDPOZSOAILHJ-HBLHAUERSA-N", "SMILES:CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@H]1C(=O)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFXYBGKLCCFSP-LQDWTQKMSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDLUALFBAOEQY-MSLBUUDASA-O", "SMILES:Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[N+](C)(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1125", "category": ["biolink:ChemicalEntity"], "name": "DESMETHYLOLANZAPINE", "xref": ["InChIKey:FHPIXVHJEIZKJW-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1"], "synonym": ["4-Desmethylolanzapine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPFRXWPQSFLCFY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL100454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPDIERBPQFAFSI-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGGSFBDWFQGRHZ-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3ccccc3Nc3sc(C(=O)O)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544738", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544740", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYSAXQEGRPPGZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccc(O)cc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQCBWWAUYHUJOD-UGQOMJHJSA-N", "SMILES:O=C(CCc1nc(-c2ccc(O)cc2)c(-c2ccccc2)o1)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZHKIOMBYYVRD-WRDPQARASA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/CO)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIRMXRJTZYYXFH-DCMUSGNWSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/CO)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDOPNJARNLRIQ-ZGBBRUJZSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/C(=O)O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPQZHVFVHOLQNE-JFGKHBSWSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@@H]2OC(CCO)C[C@H]2C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMYKWXSCJFSSX-OKJSGIQHSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@@H]2OC(CCO)C[C@H]2C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTHPJMCQQNKDHH-HHPJSCBPSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCCO)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53463", "category": ["biolink:ChemicalEntity"], "name": "DOXORUBICIN", "xref": ["InChIKey:AOJJSUZBOXZQNB-TZSSRYMLSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"], "synonym": ["Doxorubicin", "Doxorubicin", "Doxorubicin", "Doxorubicine", "Doxorubicina", "Doxorubicin", "Adriablastin", "Doxorubicin", "Hydroxydaunorubicin", "NSC-123127", "NSC-759155", "Adriblastina", "Doxorubicin", "Epirubicin hydrochloride impurity, doxorubicin-", "Valrubicin impurity, doxorubicin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3508146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZRZOVSJNSBFR-WTNDLEHGSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBZGBXXTIGCACK-CWKPULSASA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544736", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HODZDDDNGRLGSI-NSHDSACASA-N", "SMILES:CN(Cc1nc2c(N)nc(N)nc2nc1O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWCXZSDKANNOAR-UHFFFAOYSA-N", "SMILES:CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544677", "category": ["biolink:ChemicalEntity"], "name": "METHOTREXATE POLYGLUTAMATES"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544731", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544732", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544733", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1144", "category": ["biolink:ChemicalEntity"], "name": "PRAVASTATIN", "xref": ["InChIKey:TUZYXOIXSAXUGO-PZAWKZKUSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"], "synonym": ["Pravastatin", "Pravastatin", "Pravastatin", "Pravastatine", "Pravastatina", "Pravastatin", "Pravator", "C10AA03"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUZYXOIXSAXUGO-PZSHMICQSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3638305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBBIFAPOZVEDR-RCGTXINMSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@H](O)[C@H](O)C2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKTMHYRKOJXRLQ-AEIVNDRXSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@H](O)[C@H](O)C2=C(O)[C@@H](O)[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLADBRMJZFWJSF-YOMJSHEQSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1CC(=O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544734", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1035", "category": ["biolink:ChemicalEntity"], "name": "3'-HYDROXY-DICLOFENAC", "xref": ["InChIKey:HYPJZSYXUWYJDG-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1Nc1c(Cl)ccc(O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1203", "category": ["biolink:ChemicalEntity"], "name": "ISONICOTINIC ACID", "xref": ["InChIKey:TWBYWOBDOCUKOW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccncc1"], "synonym": ["Isonicotinic acid", ".gamma.-picolinic acid", ".gamma.-pyridinecarboxylic acid", "Isonicotinic acid", "NSC-1483"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCLSDCBERVTCT-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOZNAKBJSLMGT-QIDQEODOSA-N", "SMILES:O=C(OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1442231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBGNAKQQUWBQV-UHFFFAOYSA-N", "SMILES:CC(=O)NNC(=O)c1ccncc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3091859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLXLNCGODUUOT-UHFFFAOYSA-N", "SMILES:CC(=O)NN"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1237174", "category": ["biolink:ChemicalEntity"], "name": "HYDRAZINE", "xref": ["InChIKey:OAKJQQAXSVQMHS-UHFFFAOYSA-N", "SMILES:NN"], "synonym": ["Hydrazine", "Diamine", "Diazane", "Hydrazine", "H 70 (fuel)", "Levoxine", "Oxytreat 35"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2111041", "category": ["biolink:ChemicalEntity"], "name": "PYRUVIC ACID ISONIAZID", "xref": ["InChIKey:ZGGPNDKKJIWQJU-IZZDOVSWSA-N", "SMILES:C/C(=N\\NC(=O)c1ccncc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCBSJXHUMYNUKH-MDWZMJQESA-N", "SMILES:O=C(O)CC/C(=N\\NC(=O)c1ccncc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQEJOYRHBWOWQV-DKGKCPNXSA-N", "SMILES:O=C(N/N=C\\[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL643", "category": ["biolink:ChemicalEntity"], "name": "PROMETHAZINE", "xref": ["InChIKey:PWWVAXIEGOYWEE-UHFFFAOYSA-N", "SMILES:CC(CN1c2ccccc2Sc2ccccc21)N(C)C"], "synonym": ["Promethazine", "Promethazine", "Prometazina", "Promethazine", "Promethazine", "Dimapp", "Diphergan", "Fargan", "Proazamine", "Procit", "Prometazin", "Promethazine", "Protazine", "Prothazin", "Vallergine", "NSC-30321", "RP-3277"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWTCLFIFAFHQIX-UHFFFAOYSA-N", "SMILES:CC(CN1c2ccccc2[S+]([O-])c2ccccc21)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544735", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3323549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNQHOMJRFAQBN-UPZFVJMDSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEZFVLKJYFNQW-FKKRWUELSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL58", "category": ["biolink:ChemicalEntity"], "name": "MITOXANTRONE", "xref": ["InChIKey:KKZJGLLVHKMTCM-UHFFFAOYSA-N", "SMILES:O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21"], "synonym": ["Mitoxantrone", "Mitoxantrone", "Mitoxantrone", "Mitoxantrona", "Mitoxantrone", "Misostol", "Mitoxantrone", "NSC-279836"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDEBCPLFRUBTMM-UHFFFAOYSA-N", "SMILES:O=C(O)CNCCNc1ccc(NCCNCC(=O)O)c2c1C(=O)c1c(O)ccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1117", "category": ["biolink:ChemicalEntity"], "name": "IDARUBICIN", "xref": ["InChIKey:XDXDZDZNSLXDNA-TZNDIEGXSA-N", "SMILES:CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O"], "synonym": ["Idarubicin", "Idarubicin", "Idarubicin", "Idarubicine", "Idarubicina", "Idarubicin", "Idarubicin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUFQFGSMHXKORU-YUNKPMOVSA-N", "SMILES:CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTSDSAPWOJZBNX-UHFFFAOYSA-N", "SMILES:Nc1nc2c(nc(O)n2COCCO)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1425", "category": ["biolink:ChemicalEntity"], "name": "MERCAPTOPURINE ANHYDROUS", "xref": ["InChIKey:GLVAUDGFNGKCSF-UHFFFAOYSA-N", "SMILES:Sc1ncnc2nc[nH]c12"], "synonym": ["Mercaptopurine anhydrous"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237125", "category": ["biolink:ChemicalEntity"], "name": "THIOINOSINE MONOPHOSPHATE", "xref": ["InChIKey:ZKRFOXLVOKTUTA-KQYNXXCUSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O"], "synonym": ["5'-inosinic acid, 6-thio-", "6-mercaptopurine ribonucleotide", "6-mercaptopurine ribotide", "6-thio-imp", "6-thioinosinic acid", "Thioinosine monophosphate", "Thioinosinic acid", "C04646", "J213.539F", "NSC-520722"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPGGDVPPQMXEOF-UHFFFAOYSA-N", "SMILES:Cn1cnc([N+](=O)[O-])c1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCOLDQJZRZQMV-UHFFFAOYSA-N", "SMILES:Cn1cnc([N+](=O)[O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3638282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEDRSXFCTUSQBY-YUMQZZPRSA-N", "SMILES:Cn1cnc([N+](=O)[O-])c1SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL745", "category": ["biolink:ChemicalEntity"], "name": "PRIMARY ALCOHOL METABOLITE OF CELECOXIB", "xref": ["InChIKey:ICRSYPPLGADZKA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODPRYBDBGFBROY-ANCDGSCPSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIIRLHRXLLVIMF-WKHWYDSQSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLOXFAEYPRXJG-DQCBHWIGSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/CO)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHYRUKVBFYZAJH-LBKIHLNRSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFDDWFOTNDTNQ-LBKIHLNRSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTDYXGYWROEPQE-FQYNWTTGSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL511", "category": ["biolink:ChemicalEntity"], "name": "PYRILAMINE", "xref": ["InChIKey:YECBIJXISLIIDS-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCN(C)C)c2ccccn2)cc1"], "synonym": ["Mepyramine", "Mepyramine", "Mepiramina", "NSC-13136"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544761", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFBHFOEKQWQBR-UHFFFAOYSA-N", "SMILES:CN(C)CCN(Cc1ccc(O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544762", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVQJGJZZUNOHCX-MNUOIFNESA-N", "SMILES:CNC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQJXDGHGQCURZ-XGKFQTDJSA-N", "SMILES:CC(C)c1nc(CN(CO)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRECTSFAJINQSP-QJANCWQKSA-N", "SMILES:CC(C)c1nc(CN(O)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKWCORIMSRQGZ-AMEOFWRWSA-N", "SMILES:CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@@H](N)Cc2ccccc2)C(C)C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1333063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRNSQPXEDGWMR-UHFFFAOYSA-N", "SMILES:O=C(O)C(O)(c1ccccc1)C1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNZHHTBLYLBORW-QAKXDBDYSA-N", "SMILES:CCCCC1(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1228", "category": ["biolink:ChemicalEntity"], "name": "OXYPHENBUTAZONE ANHYDROUS", "xref": ["InChIKey:HFHZKZSRXITVMK-UHFFFAOYSA-N", "SMILES:CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O"], "synonym": ["Californit", "Crovaril", "Flogitolo", "Flogoril", "Frabel", "Neo-farmadol", "Oxalid", "Oxyphenbutazone anhydrous", "Rapostan", "Reozon", "Suganril", "Visubutina", "G-27202", "NSC-526053", "RO-04-4410"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWFVSXJFPUQEMY-UHFFFAOYSA-N", "SMILES:CC(O)CCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPJYQSFRNGSEBH-UHFFFAOYSA-N", "SMILES:CC(O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTAROIGQPRBGAX-QVKBUXFFSA-N", "SMILES:CC(O)CCC1(OC2O[C@H](C(O)O)[C@@H](O)[C@H](O)[C@H]2O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGYHFQQUZPAFZ-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCN2c3ccccc3[S+]([O-])c3ccc(Cl)cc32)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1200587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYSCHNVPUOSLNC-BTJKTKAUSA-N", "SMILES:CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWIQAXTYRCAVFE-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUHMTGXYBUCRP-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCN2c3ccc(O)cc3Sc3ccc(Cl)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564", "category": ["biolink:ChemicalEntity"], "name": "PROMAZINE", "xref": ["InChIKey:ZGUGWUXLJSTTMA-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2Sc2ccccc21"], "synonym": ["Promazine", "Promazine", "Promazina", "Promazine", "Combelen", "Promazine", "NSC-31447"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSHDHDWHIWBNHA-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2[S+]([O-])c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWHSDRYYOAXGG-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2Sc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWABPMNIWJSFO-UHFFFAOYSA-N", "SMILES:C[N+](C)([O-])CCCN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOCOVPRTRIBGFZ-UHFFFAOYSA-N", "SMILES:CNCCCN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPNZJQVYAKBDDT-UHFFFAOYSA-N", "SMILES:CNCCCN1c2ccccc2Sc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGFWNINBXENQT-FMPFFZOVSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANFHCPHSZTZMK-HWOJVXRRSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\\C=C\\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQEGVCYMAKMTGK-CQIPUXGVSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](CO)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDXSTPUXTMPWES-XGGSAYMRSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CC[N+]([O-])(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVRKKRDXWRRYEJ-RIUHITKLSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](CO)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPAMJYMVCXTIA-HKTQRCPOSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(CO)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIKQBOLCCVSJQ-UHFFFAOYSA-N", "SMILES:Cc1noc(NS(=O)(=O)c2ccc(NC(=O)O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL993", "category": ["biolink:ChemicalEntity"], "name": "THYMINE", "xref": ["InChIKey:RWQNBRDOKXIBIV-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c(=O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOXFJDOUQJOMQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=S)c2nc[nH]c2[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1812063", "category": ["biolink:ChemicalEntity"], "name": "6-THIOGUANYLIC ACID", "xref": ["InChIKey:BPZXYEUJBFHASJ-UUOKFMHZSA-N", "SMILES:Nc1nc(=S)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1"], "synonym": ["6-thioguanosine monophosphate", "6-thioguanosine-5'-phosphate", "6-thioguanylic acid", "NSC-408090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTNWRFYTFZSEK-UUOKFMHZSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENYANNAQSWPLM-UUOKFMHZSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVPVTQSCBZIEEA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)NN2CCCC(O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574", "category": ["biolink:ChemicalEntity"], "name": "P-TOLUENESULFONAMIDE", "xref": ["InChIKey:LMYRWZFENFIFIT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(N)(=O)=O)cc1"], "synonym": ["Para-toluenesulfonamide", "P-methylbenzenesulfonamide", "P-toluenesulfonamide", "P-toluenesulfonylamide", "P-tosylamide", "Para-toluenesulfonamide", "Paratoulene sulfonamide", "Toluenesulfonamide, p-", "NSC-9908", "P-toluenesulfonamide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQDCPLIWVLTAU-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCCC1)NS(=O)(=O)c1ccc(CO)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGLWFSDLSZDCEA-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCCC1)NS(=O)(=O)c1ccc(C(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1237008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDAWOPKDXRJNHV-MPPDQPJWSA-N", "SMILES:CC1(C)S[C@H]([C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)O)N[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL894", "category": ["biolink:ChemicalEntity"], "name": "BUPROPION", "xref": ["InChIKey:SNPPWIUOZRMYNY-UHFFFAOYSA-N", "SMILES:CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1"], "synonym": ["Bupropion", "Bupropion", "Bupropion", "Bupropione", "Bupropion", "Amfebutamone", "Bupropion", "Bupropion extended release", "Bupropion slow release", "NSC-758686"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDPTTXIBLSWNSF-SKDRFNHKSA-N", "SMILES:C[C@@H](NC(C)(C)C)[C@H](O)c1cccc(Cl)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL49", "category": ["biolink:ChemicalEntity"], "name": "BUSPIRONE", "xref": ["InChIKey:QWCRAEMEVRGPNT-UHFFFAOYSA-N", "SMILES:O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1"], "synonym": ["Buspirone", "Buspirone", "Buspirone", "Buspirona", "Buspirone", "Buspirone", "Gen-buspirone", "BCI-024"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGHABOPJRYOEZ-UHFFFAOYSA-N", "SMILES:O=C1CC2(CCC(O)C2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFOIYSPRVISSG-UHFFFAOYSA-N", "SMILES:O=C1CC2(CCCC2)CC(=O)N1CCCC[N+]1([O-])CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL724", "category": ["biolink:ChemicalEntity"], "name": "2-PIPERAZIN-1-YL-PYRIMIDINE", "xref": ["InChIKey:MRBFGEHILMYPTF-UHFFFAOYSA-N", "SMILES:c1cnc(N2CCNCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKRAKYZQCJDSA-UHFFFAOYSA-N", "SMILES:Oc1cnc(N2CCNCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKAUDMPUKWYRBF-UHFFFAOYSA-N", "SMILES:O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKJFWUUALLRWGV-UHFFFAOYSA-N", "SMILES:O=C(O)CCCN1C(=O)CC2(CCCC2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZNAHJIJGCFJJ-UHFFFAOYSA-N", "SMILES:O=C1CC2(CCCC2)C(O)C(=O)N1CCCCN1CCN(c2ncccn2)CC1"], "synonym": ["6-hydroxybuspirone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJPUGFHLKGTXEB-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ncccn2)CC1)C1CC2(CCCC2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFVFQIVMOAPDHO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTIJTTYZWFCQEZ-UHFFFAOYSA-O", "SMILES:NC(CCC(=O)NC(C[S+]1CCCC1)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQJWESJDAFSBN-UHFFFAOYSA-O", "SMILES:CC(=O)NC(C[S+]1CCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1379", "category": ["biolink:ChemicalEntity"], "name": "TETRAHYDROTHIOPHENE", "xref": ["InChIKey:RAOIDOHSFRTOEL-UHFFFAOYSA-N", "SMILES:C1CCSC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1207", "category": ["biolink:ChemicalEntity"], "name": "TETRAMETHYLENE SULFOXIDE", "xref": ["InChIKey:ISXOBTBCNRIIQO-UHFFFAOYSA-N", "SMILES:[O-][S+]1CCCC1"], "synonym": ["Tetrahydro-Thiophene-1-Oxide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3351075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZKUWGUJVKMHC-UKBUZQLGSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3220941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDFWIIFGRXCFR-UHFFFAOYSA-N", "SMILES:C[N+](C)([O-])CCCN1c2ccccc2Sc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL823", "category": ["biolink:ChemicalEntity"], "name": "CHLOROPROMAZINE SULFOXIDE", "xref": ["InChIKey:QEPPAOXKZOTMPM-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2[S+]([O-])c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL909", "category": ["biolink:ChemicalEntity"], "name": "7-HYDROXYCHLORPROMAZINE", "xref": ["InChIKey:HICFFJZGXWEIHN-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL824", "category": ["biolink:ChemicalEntity"], "name": "NOR2-CHLORPROMAZINE", "xref": ["InChIKey:ZTQZBABFEUDZFE-UHFFFAOYSA-N", "SMILES:NCCCN1c2ccccc2Sc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3184360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZEPYUPSYWCRBG-UHFFFAOYSA-N", "SMILES:NC(=O)NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTPSTLXICFKCU-UHFFFAOYSA-N", "SMILES:CC(O)CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFZPWGMPVBXMQF-UHFFFAOYSA-N", "SMILES:CCC(O)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549", "category": ["biolink:ChemicalEntity"], "name": "CITALOPRAM", "xref": ["InChIKey:WSEQXVZVJXJVFP-UHFFFAOYSA-N", "SMILES:CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"], "synonym": ["Citalopram", "Citalopram", "Citadur", "Citalopram", "Citalopram"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1649", "category": ["biolink:ChemicalEntity"], "name": "DEMETHYL-CITALOPRAM", "xref": ["InChIKey:PTJADDMMFYXMMG-UHFFFAOYSA-N", "SMILES:CNCCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUKMUWCRLRPEJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)COC2(CCCN)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIOGFDCEWUUSBQ-UHFFFAOYSA-N", "SMILES:C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGQYQBNBJEREZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)COC2(CCCC(=O)O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201353", "category": ["biolink:ChemicalEntity"], "name": "DEXCHLORPHENIRAMINE", "xref": ["InChIKey:SOYKEARSMXGVTM-HNNXBMFYSA-N", "SMILES:CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1"], "synonym": ["Dexchlorpheniramine", "Dexchlorpheniramine", "Dexclorfeniramina", "Chlorpheniramine d-form", "Chlorphenamine, (s)-", "Chlorpheniramine, (s)-", "Chlorpheniramine, d-", "Dapriton", "Dexchlorpheniramine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UICFCNIVUDNZSW-AWEZNQCLSA-N", "SMILES:CNCC[C@@H](c1ccc(Cl)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNBHBFPBGUXPRF-ZDUSSCGKSA-N", "SMILES:NCC[C@@H](c1ccc(Cl)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517", "category": ["biolink:ChemicalEntity"], "name": "DISOPYRAMIDE", "xref": ["InChIKey:UVTNFZQICZKOEM-UHFFFAOYSA-N", "SMILES:CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C"], "synonym": ["Disopyramide", "Disopyramide", "Disopyramide", "Disopyramide", "Disopiramida", "Disopyramide", "Disopyramide", "(rs)-disopyramide", "Dicorantil", "Disopyramide", "Dl-disopyramide", "Isorythm", "Lispine", "Ritmilen", "Rythmodan p", "Searle-703", "H-3292", "SC-7031", "Disopyramide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1307", "category": ["biolink:ChemicalEntity"], "name": "N-MONODEISOPROPYL DISOPYRAMIDE", "xref": ["InChIKey:UWNSWIXIVDMCHZ-UHFFFAOYSA-N", "SMILES:CC(C)NCCC(C(N)=O)(c1ccccc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPFDXNVUDZBII-KNPZYKNQSA-N", "SMILES:CO[C@]1(C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](C(C)O)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1947257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLYNHBYTKOXTE-FNAMOMDESA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVUVJYEERGYNU-FKSUSPILSA-N", "SMILES:CO[C@]1(C)C[C@H](O)O[C@@H](C)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1176", "category": ["biolink:ChemicalEntity"], "name": "2-CHLOROPHENYL-BISPHENYLMETHANE(MAJOR)", "xref": ["InChIKey:IWUWHGXBCVDMST-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWIPNXUZCLOEBR-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(c2ccccc2)c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLWJPOZRJSBFQ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(O)cc2)(c2ccc(O)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSBYIZXRZXLKX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3ccccc3)NC(=O)NC2=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIJIQXGRFSPYQW-UHFFFAOYSA-N", "SMILES:CSc1ncnc2[nH]cnc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSBJZONIFHLOMJ-RRKCRQDMSA-N", "SMILES:O=c1[nH]c(=O)c2cnn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWVZJPSZVFVJG-RRKCRQDMSA-N", "SMILES:O=c1[nH]c(=O)c2cnn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOFOCQGMDMRUPN-RRKCRQDMSA-N", "SMILES:O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQUCTOVROBQKHW-RRKCRQDMSA-N", "SMILES:O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1313", "category": ["biolink:ChemicalEntity"], "name": "4-HYDROXY-ALPRAZOLAM", "xref": ["InChIKey:CEYGCFLPQFNPST-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2O"], "synonym": ["4-Hydroxy-Alprazolam(0.3%)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544744", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3246317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURUZYHEEMDQBU-UHFFFAOYSA-N", "SMILES:OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544745", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3246755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRWQGLJVKHCNMY-UHFFFAOYSA-N", "SMILES:OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544746", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFAIHLSDLUYLQA-UHFFFAOYSA-N", "SMILES:CC(CO)Cc1ccc(C(C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTPUWGBPLLBKW-UHFFFAOYSA-M", "SMILES:CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQOHDQNOAACQBL-DICQVBLLSA-N", "SMILES:C#C[C@@]1(OC2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGILQMNIZWNOK-UIUSIFNCSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544749", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDZKJQFRFZZCW-VIVHBNLFSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDWQQNKJZGOEK-QYCSEOFDSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDZKJQFRFZZCW-GZZXEUMKSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDWQQNKJZGOEK-QJIDXWMCSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGILQMNIZWNOK-XDQPPUBWSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3273989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDZKJQFRFZZCW-WSIJOFGPSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDWQQNKJZGOEK-QAMGPUOTSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDZKJQFRFZZCW-GAXNORQESA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXVLZHFSPUCGL-GAXNORQESA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOUIARGWRPHDBX-CQZDKXCPSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@H]43)[C@@H]1CCC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POYPKGFSZHXASD-OLQVQODUSA-N", "SMILES:CC(C)(SSC(C)(C)[C@@H](N)C(=O)O)[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1089", "category": ["biolink:ChemicalEntity"], "name": "PHENELZINE", "xref": ["InChIKey:RMUCZJUITONUFY-UHFFFAOYSA-N", "SMILES:NNCCc1ccccc1"], "synonym": ["Phenelzine", "Phenelzine", "Fenelzina", "Phenelzine", "Phenelzine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1044", "category": ["biolink:ChemicalEntity"], "name": "PHENYLACETIC ACID", "xref": ["InChIKey:WLJVXDMOQOGPHL-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1"], "synonym": ["Phenylacetic acid", "FEMA NO. 2878", "NSC-125718", "Phenylacetic acid component of antineoplaston as 2-1", "Phenylacetic acid component of antineoplaston as2-1", "Phenylacetic acid component of astugenal"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGKCSSVWSHTFS-VNNZRSTGSA-N", "SMILES:CC(C)[C@H](NC(=O)N(C)Cc1csc(C(C)(C)O)n1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEDZMPJHBBTNZ-QJANCWQKSA-N", "SMILES:CC(C)[C@H](NC(=O)N(C)Cc1csc(C(C)(C)O)n1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL317192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQANVQYLDPEULW-QJANCWQKSA-N", "SMILES:CC(C)c1nc(CNC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSCPJKWFFXCSS-IFUYYDIESA-N", "SMILES:CO[C@H]1C[C@@H]2CC(O)[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHYGVVKSAGDVDY-QQQXYHJWSA-N", "SMILES:CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\\C)[C@@H](O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCDWYJROUPYPT-NYTLBARGSA-N", "SMILES:C[C@]12CCC(=O)C=C1C[C@@H](S)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRDLPQBEOKIRE-RJKHXGPOSA-N", "SMILES:CS[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADVFYBFTUKGFGC-FLWPULIFSA-N", "SMILES:C[S+]([O-])[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMMQQKJCVORDCC-XKJYKICNSA-N", "SMILES:C[C@]12CCC(=O)C=C1CC(S(C)(=O)=O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1616951", "category": ["biolink:ChemicalEntity"], "name": "CANRENOATE", "xref": ["InChIKey:PBKZPPIHUVSDNM-WNHSNXHDSA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCC(=O)O"], "synonym": ["Canrenoic acid", "Canrenoic acid", "Acide canrenoique", "Acido canrenoico"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3638293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSXZYMJQBDTXAW-VVNNLPRQSA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCC(=O)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFYQCRQPYYPRAT-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Cc1ccc2[nH]cc(CC(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544764", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269732", "category": ["biolink:ChemicalEntity"], "name": "TACROLIMUS ANHYDROUS", "xref": ["InChIKey:QJJXYPPXXYFBGM-LFZNUXCKSA-N", "SMILES:C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC"], "synonym": ["104987-11-3", "Anhydrous tacrolimus", "Fujimycin", "Prograph", "Tacro", "Tacrolimus anhydrous", "Tacrolimus, anhydrous", "Tsukubaenolide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSXBEFGDCZWVOY-PCJCHHJWSA-N", "SMILES:CO[C@H]1C[C@@H](C)CC2=C[C@H]3C(CCOC3(O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]3(O)O[C@H]1[C@@H](OC)C[C@H]3C)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHOPGJHKSPGXIZ-NURRSENYSA-N", "SMILES:C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQRSWRVAAABQEF-XFIJPYNGSA-N", "SMILES:C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](O)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRZOXIQNKYTBL-ASVYHVEESA-N", "SMILES:C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H](O)C2CC(C)C(O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)[C@@H](O)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDXIEWFELKAMEX-BUYILAOESA-N", "SMILES:C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](O)[C@H](O)C2CC(C)C(O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)[C@@H](O)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYZMTZWWIIJDPV-SGUIJPSRSA-N", "SMILES:C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H](O)C2CC(C)C(O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](O)C2)[C@H](C)[C@@H](O)CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDFFVBQCMLXIE-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1[S+]2[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKXVUABTJSMKC-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2(=O)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1088", "category": ["biolink:ChemicalEntity"], "name": "MESORIDAZINE", "xref": ["InChIKey:SLVMESMUVMCQIY-UHFFFAOYSA-N", "SMILES:CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21"], "synonym": ["Mesoridazine", "Mesoridazine", "Mesoridazine", "Mesoridazina", "Thioridazine-2-sulfoxide", "NC-123", "NSC-186066", "TPS-23", "Lidanar", "Mesoridazine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2107268", "category": ["biolink:ChemicalEntity"], "name": "SULFORIDAZINE", "xref": ["InChIKey:FLGCRGJDQJIJAW-UHFFFAOYSA-N", "SMILES:CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)(=O)=O)cc21"], "synonym": ["Sulforidazine", "Sulforidazina", "Imagotan", "Inofal", "Psychoson", "Thioridazine sulfone", "Thioridazine sulphone", "Thioridazine-2-sulfone", "TPN-12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3638312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFYEJMLNMTTJA-HNNXBMFYSA-N", "SMILES:CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQPQZDYDCOEEI-HSVNRGSNSA-N", "SMILES:CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1464", "category": ["biolink:ChemicalEntity"], "name": "WARFARIN", "xref": ["InChIKey:PJVWKTKQMONHTI-UHFFFAOYSA-N", "SMILES:CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O"], "synonym": ["Warfarin", "Warfarin", "Warfarine", "Warfarina", "Warfarin", "Warfarin", "NSC-59813", "Choice", "Warfarin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3638314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWPEJBUOJQPDE-AWEZNQCLSA-N", "SMILES:CC(=O)C[C@@H](c1ccccc1)c1c(O)c2cc(O)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDNSISKAKJZJPR-NAHJCDBISA-N", "SMILES:O=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cc(-c2ccc(F)cc2F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL707", "category": ["biolink:ChemicalEntity"], "name": "DOXAZOSIN", "xref": ["InChIKey:RUZYUOTYCVRMRZ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC"], "synonym": ["Doxazosin", "Doxazosin", "Doxazosin", "Doxazosine", "Doxazosina", "Doxazosin", "Doxazosin", "C02CA04", "UK-33274"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWNIHKSMVDTKO-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)C4COc5ccc(O)cc5O4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHZCTAZQVCTFFH-UHFFFAOYSA-N", "SMILES:COc1cc2c(N)nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3249225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCIPYVXKMWNKLZ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQJCDKMHNQVWDV-BKRJIHRRSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGDXTWZJCEVEB-PVHGPHFFSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJZENPUQVKMJH-PVHGPHFFSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)c(O)cc4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBUZQAUNLRYCT-VTPPTGSRSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](O)c4cc(O)ccc4[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSODIPLKPBLGCC-MILMJNAHSA-N", "SMILES:C#C[C@]1(O)[C@@H](O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFHJXSYRPNSOI-RXUQYVRZSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4c(ccc(O)c4O)[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBBEZHAELJFKW-RYOJVZDYSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)ccc4[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQXJBRONRGLRT-RYOJVZDYSA-N", "SMILES:C#C[C@]1(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1614647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHKCCDZKVDAGJH-SLHNCBLASA-N", "SMILES:C#C[C@]1(OS(=O)(=O)O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAZSSGBZNCVJCB-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1nc(C[S+]([O-])CCC(=N)NS(N)(=O)=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3276272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMKJOOJKCAEJK-UHFFFAOYSA-N", "SMILES:OCc1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGIVPFRCXXOWHN-FHDFAIOZSA-N", "SMILES:O=C(O)[C@H]1OC(n2cc(CO)cn2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPWJECQKVRUIOI-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1ccc(N(CCO)CCCl)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236469", "category": ["biolink:ChemicalEntity"], "name": "DIOTYROSINE", "xref": ["InChIKey:NYPYHUZRZVSYKL-ZETCQYMHSA-N", "SMILES:N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O"], "synonym": ["Diiodotyrosine", "3,5-diiodotyrosine dl-form", "3,5-diiodotyrosine dl-form", "Diiodotyrosine, dl-", "Dl-3,5-diiodotyrosine", "Iodogorgonic acid", "Jodgorgon", "NSC-208959", "NSC-97936"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL479789", "category": ["biolink:ChemicalEntity"], "name": "IOTYROSINE", "xref": ["InChIKey:UQTZMGFTRHFAAM-ZETCQYMHSA-N", "SMILES:N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBXYROGWADTEP-BMIFTDJJSA-N", "SMILES:N[C@@H](Cc1cc(I)c(Oc2ccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(I)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLGNJCPGBOQIB-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOEXMTMUPVZHFH-MRVPVSSYSA-N", "SMILES:C[C@@H](N)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIVLBIVDYADZPL-UHFFFAOYSA-N", "SMILES:CC(Cc1ccc(C(C)C(=O)O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544742", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544743", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201373", "category": ["biolink:ChemicalEntity"], "name": "LOVASTATIN ACID", "xref": ["InChIKey:QLJODMDSTUBWDW-BXMDZJJMSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"], "synonym": ["Hydroxyacid lovastatin", "Lovastatin acid", "Mevinolinic acid", "MK-819", "MSD-803 ACID"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULAAPVRVEVCSJH-QOPMPQMQSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@](C)(O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCXPWLYQFERRA-QOPMPQMQSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@](C)(O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUFUDDFNKHOQEC-HGQWONQESA-N", "SMILES:C=C1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)[C@@H](C)CC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCGRWFQWIIZEJ-HGQWONQESA-N", "SMILES:C=C1C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]2[C@@H](OC(=O)[C@@H](C)CC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIPDDGCLUETGA-FNXUIADHSA-N", "SMILES:CC(O)[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL13", "category": ["biolink:ChemicalEntity"], "name": "METOPROLOL", "xref": ["InChIKey:IUBSYMUCCVWXPE-UHFFFAOYSA-N", "SMILES:COCCc1ccc(OCC(O)CNC(C)C)cc1"], "synonym": ["Metoprolol", "Metoprolol", "Metoprolol", "Metoprolol", "(rs)-metoprolol", "Beatrolol", "Dl-metoprolol", "Lopressidone", "Metoprolol", "Metoprolol slow release", "Seroken", "CGP-2175", "H-93/26", "Metoprolol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUKXSBOAIJILRY-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1ccc(CCO)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1200337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBOQQGAVXCUYJM-UHFFFAOYSA-N", "SMILES:COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQIRTNPJRFRCZ-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1ccc(CC(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQIWJWWULVHOAA-UHFFFAOYSA-N", "SMILES:COCCc1ccc(OCC(O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEHPOYAOLCAMIU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cnc(CO)n1CCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVEGZXNRNWUYKI-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWFBQHICRCUQJJ-NUHJPDEHSA-N", "SMILES:C[N+]1([O-])CCC[C@H]1c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1190855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIOROZIUERMMRQ-NSHDSACASA-N", "SMILES:CN1CCC[C@H]1c1ccc[n+](C)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3126023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTQXYYYOJZZJHL-JTQLQIEISA-N", "SMILES:C[N+]1=CCC[C@H]1c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL578211", "category": ["biolink:ChemicalEntity"], "name": "COTININE", "xref": ["InChIKey:UIKROCXWUNQSPJ-VIFPVBQESA-N", "SMILES:CN1C(=O)CC[C@H]1c1cccnc1"], "synonym": ["Cotinine", "Cotinina", "Cotinine", "Cotinine", "Nicotine related compound c"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6200", "category": ["biolink:ChemicalEntity"], "name": "NORNICOTINE", "xref": ["InChIKey:MYKUKUCHPMASKF-VIFPVBQESA-N", "SMILES:c1cncc([C@@H]2CCCN2)c1"], "synonym": ["Nornicotine", "1'-demethylnicotine", "3-(2-pyrrolidinyl)-(s)-pyridine", "Nicotine related compound f", "Nornicotine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFANIORDKRCCA-QMMMGPOBSA-N", "SMILES:O=C1CC[C@@H](c2cccnc2)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQRPPFUUSHFGW-SNVBAGLBSA-N", "SMILES:CN1CCC[C@@]1(O)c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDIDUFQYHRMPR-UHFFFAOYSA-N", "SMILES:CNCCCC(=O)c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGSUNMCABQUBOY-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRXFWHPQMABEK-JTQLQIEISA-N", "SMILES:CN1C(=O)CC[C@H]1c1ccc[n+](C)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3559662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSAIHGBLYDYYTE-PWWIAGGISA-N", "SMILES:CC(=O)[C@H]1OC([n+]2cccc([C@@H]3CCC(=O)N3C)c2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPULDKLIIVIER-VIFPVBQESA-N", "SMILES:CN1C(=O)CC[C@H]1c1ccc[n+]([O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1614639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOKCJXZZNAUIQN-DTWKUNHWSA-N", "SMILES:CN1C(=O)[C@H](O)C[C@H]1c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALNNKZUGHYSCT-NEALAZPFSA-N", "SMILES:CN1C(=O)[C@H](OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]1c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNHNZGTKSWIHD-SNVBAGLBSA-N", "SMILES:CN1C(=O)CC[C@@]1(O)c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOOSCPWOYYLIHS-UHFFFAOYSA-N", "SMILES:CNC(=O)CCC(=O)c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQUFOBHEPVFQMD-VIFPVBQESA-N", "SMILES:O=C1CC[C@@H](c2cccnc2)N1CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJEKVKGYYASXCW-UHFFFAOYSA-N", "SMILES:NC(=O)CCC(=O)c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STZOZPPVGWNSMC-QMMMGPOBSA-N", "SMILES:O=C(O)CC[C@H](O)c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUQJJRAPYHGKLP-UHFFFAOYSA-N", "SMILES:O=C1CCC(c2cccnc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHVJWSPYMHAALE-HNQUOIGGSA-N", "SMILES:O=C(O)C/C=C/c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFYZACBRKCFXDV-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1741437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNUNYPERJMVRM-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLSXVPUJRKOYEK-XLPZGREQSA-N", "SMILES:OC[C@H]1O[C@@H](n2ncc3c(O)ncnc32)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIUSLHLSWQMFO-XLPZGREQSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](n2ncc3c(O)ncnc32)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL192", "category": ["biolink:ChemicalEntity"], "name": "SILDENAFIL", "xref": ["InChIKey:BNRNXUUZRGQAQC-UHFFFAOYSA-N", "SMILES:CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12"], "synonym": ["Sildenafil", "Sildenafil", "Sildenafil", "Sildenafil", "Sildenafilo", "Sildenafil", "Sildenafil", "HIP-0908", "HIP0908", "UK-92480"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544813", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544815", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544816", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544817", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTKBZXHEOVDRL-UHFFFAOYSA-N", "SMILES:CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OCC)nc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544818", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544819", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544820", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZWAMPDGRWRPF-HNNXBMFYSA-N", "SMILES:CC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUDCDDDIRYKGS-HSVNRGSNSA-N", "SMILES:CC(=O)C[C@@H](c1ccc(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHBOXPNWDGYJNB-AWEZNQCLSA-N", "SMILES:CC(=O)C[C@@H](c1ccccc1)c1c(O)c2cccc(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVGBYFDDKYFMF-HGIXMFOBSA-N", "SMILES:CC(=O)C[C@@H](c1ccccc1)c1c(O)c2cccc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWIPQYPHTPMNLK-RVDMUPIBSA-N", "SMILES:CC(=O)/C=C(\\c1ccccc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZSPAZBZFZZBN-UHFFFAOYSA-N", "SMILES:CC(=O)C(O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWPEJBUOJQPDE-CQSZACIVSA-N", "SMILES:CC(=O)C[C@H](c1ccccc1)c1c(O)c2cc(O)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBVHLXQTOAFHW-IWIDYSLJSA-N", "SMILES:CC(=O)C[C@H](c1ccccc1)c1c(O)c2cc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFYEJMLNMTTJA-OAHLLOKOSA-N", "SMILES:CC(=O)C[C@H](c1ccccc1)c1c(O)c2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQPQZDYDCOEEI-VEOYQRRYSA-N", "SMILES:CC(=O)C[C@H](c1ccccc1)c1c(O)c2ccc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHBOXPNWDGYJNB-CQSZACIVSA-N", "SMILES:CC(=O)C[C@H](c1ccccc1)c1c(O)c2cccc(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVGBYFDDKYFMF-DREXMYORSA-N", "SMILES:CC(=O)C[C@H](c1ccccc1)c1c(O)c2cccc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZWAMPDGRWRPF-OAHLLOKOSA-N", "SMILES:CC(=O)C[C@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUDCDDDIRYKGS-VEOYQRRYSA-N", "SMILES:CC(=O)C[C@H](c1ccc(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNJVMSASTUDLGC-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(-c3ccc(O)cc3)c(N)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90555", "category": ["biolink:ChemicalEntity"], "name": "VINCRISTINE", "xref": ["InChIKey:OGWKCGZFUXNPDA-XQKSVPLYSA-N", "SMILES:CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1"], "synonym": ["Vincristine", "Vincristine", "Vincristine", "Vincristina", "Vincristine", "22-oxovincaleukoblastine", "Leucristine", "Leurocristine", "Oncotcs", "Tecnocris", "Vincaleukoblastine, 22-oxo-", "Vincristin", "Vincristine", "Vinkristin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCGXAFOOQYBDC-QPSORRKESA-N", "SMILES:CCC(=O)C[C@H]1CNCCc2c([nH]c3ccccc23)[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C=O)[C@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]32[C@@H]54)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUHOOBFVYTEFW-AGJHSZMPSA-N", "SMILES:CCC(=O)C[C@H]1CN(C=O)CCc2c([nH]c3ccccc23)[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C=O)[C@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]32[C@@H]54)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJMXAZJKUGYGW-POYBYMJQSA-N", "SMILES:Nc1ccn([C@H]2CC[C@@H](COP(=O)(O)O)O2)c(=O)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1232161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVSQWXITYSICAK-POYBYMJQSA-N", "SMILES:Nc1ccn([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCQWOIOZLKJHJ-WCQYABFASA-N", "SMILES:C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBUOFJVOGQHJIM-WCBMZHEXSA-N", "SMILES:NCCOP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544765", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544768", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15571", "category": ["biolink:ChemicalEntity"], "name": "1,2,4-TRIAZOLE", "xref": ["InChIKey:NSPMIYGKQJPBQR-UHFFFAOYSA-N", "SMILES:c1nc[nH]n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUATUXZRGNXRDW-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cc(C(=O)O)cc(C(C)(C)C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SENNRTZYHFPXIH-JKPQCYAASA-N", "SMILES:CC(C)(C#N)c1cc(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQXPVVBIMDBYFF-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLDKGLSSFDZES-UHFFFAOYSA-N", "SMILES:NNCCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11608", "category": ["biolink:ChemicalEntity"], "name": "TYRAMINE", "xref": ["InChIKey:DZGWFCGJZKJUFP-UHFFFAOYSA-N", "SMILES:NCCc1ccc(O)cc1"], "synonym": ["Tyramine", "2-p-hydroxyphenylethylamine", "Systogene", "Tocosine", "Tyramine", "Tyrosamine", "Uteramine", "FEMA NO. 4215", "NSC-249188", "Ractopamine hydrochloride suspension impurity, tyramine-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL569", "category": ["biolink:ChemicalEntity"], "name": "PROCAINE", "xref": ["InChIKey:MFDFERRIHVXMIY-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOC(=O)c1ccc(N)cc1"], "synonym": ["Procaine", "Procaine", "Procaina", "Procaine", "Procaine", "NSC-169497", "Solution of novocain"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1183", "category": ["biolink:ChemicalEntity"], "name": "DIETHYLAMINOETHANOL", "xref": ["InChIKey:BFSVOASYOCHEOV-UHFFFAOYSA-N", "SMILES:CCN(CC)CCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544759", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544760", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOTLUXGSMFWUKB-UHFFFAOYSA-N", "SMILES:CNc1nc(N)nc(N(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGEXGKUJMFHVSY-UHFFFAOYSA-N", "SMILES:CNc1nc(NC)nc(NC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFWDQQGFDLKFK-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(N)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHOSFPFCXKKOHO-UHFFFAOYSA-N", "SMILES:CNc1nc(N)nc(NC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTRPRMNBTVRDFH-UHFFFAOYSA-N", "SMILES:CNc1nc(N)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSHMPZPIAZGSV-UHFFFAOYSA-N", "SMILES:Nc1nc(N)nc(N)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOPIDHLKVJXSK-PFYHNXQOSA-N", "SMILES:C[C@]12CC(C(=O)O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261514", "category": ["biolink:ChemicalEntity"], "name": "MESTANOLONE", "xref": ["InChIKey:WYZDXEKUWRCKOB-YDSAWKJFSA-N", "SMILES:C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"], "synonym": ["Mestanolone", "Mestanolona", "Assimil", "Ermalone", "Mesanolon", "Methybol", "Tantarone", "NSC-18219"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGKQXZFZOIQFBI-XSWYFRFISA-N", "SMILES:C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNNXNJNKKPLGA-DARNACAXSA-N", "SMILES:C[C@]1(CC(=O)C(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJUWUPPPXWMHAF-PHALZCCXSA-N", "SMILES:C[C@]1(CCC(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLMFZHFDUVUNOC-IVEVATEUSA-N", "SMILES:C[C@]1(CC(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPBIAZSHYWEGQR-VWJMYWFESA-N", "SMILES:C[C@]1(C(=O)O)[C@H](CC(=O)O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPEFZSJRVCBKQD-DVHZXHDHSA-N", "SMILES:C[C@]1(CC(=O)O)[C@H](C(=O)O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJVQOLUSCVELW-YEZTZDHTSA-N", "SMILES:C[C@]12CC(C(=O)O)=C(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMXXTJAPJRAQL-BBRMVZONSA-N", "SMILES:Oc1ccc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074678", "category": ["biolink:ChemicalEntity"], "name": "Paroxetine-M", "xref": ["InChIKey:DTXXMQRFTUCBHG-YOEHRIQHSA-N", "SMILES:COc1cc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBOPBHBOBJYXTD-JQWIXIFHSA-N", "SMILES:OC[C@@H]1CNCC[C@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVUYHZOYPIJUBZ-UHFFFAOYSA-N", "SMILES:CC(=O)CCCCn1c(=O)c2[nH]cnc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1343", "category": ["biolink:ChemicalEntity"], "name": "1-[4-CARBOXYPROPYL]-3,7-DIMETHYLXANTHINE", "xref": ["InChIKey:WKASGTGXOGALBG-UHFFFAOYSA-N", "SMILES:Cn1cnc2c1c(=O)n(CCCC(=O)O)c(=O)n2C"], "synonym": ["1-[4-Carboxypropyl]-3,7-Dimethylxanthine (Metabolite-V)"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL27", "category": ["biolink:ChemicalEntity"], "name": "PROPRANOLOL", "xref": ["InChIKey:AQHHHDLHHXJYJD-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1cccc2ccccc12"], "synonym": ["Propranolol", "Propranolol", "Propranolol", "Propranolol", ".beta.-propranolol", "Betalong", "Dl-propranolol", "Euprovasin", "Inderide-40/25", "Inderide-80/25", "Propranolol", "Proprasylyt", "Reducor", "AY-64043-"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFQFHRDQYGTGFA-UHFFFAOYSA-N", "SMILES:O=C(O)C(O)COc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFMCITCRZXLMDJ-UHFFFAOYSA-N", "SMILES:NCC(O)COc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1137", "category": ["biolink:ChemicalEntity"], "name": "4-HYDROXYPROPRANOLOL SULFATE", "xref": ["InChIKey:CWEPACWBWIOYID-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1ccc(O)c2ccccc12"], "synonym": ["4-Hydroxy Propranolol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544810", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544811", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544812", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGTYILLPRJOVFY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OS(=O)(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL33232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URNSECGXFRDEDC-UHFFFAOYSA-N", "SMILES:CC(=O)N=C1C=CC(=O)C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNAXGMNFCUWCI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(O)c(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPRQNKJGQEICH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(O)c(SCC(NC(C)=O)C(=O)O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL457723", "category": ["biolink:ChemicalEntity"], "name": "PENTAMETHYL MELAMINE", "xref": ["InChIKey:XIFVTSIIYVGRHJ-UHFFFAOYSA-N", "SMILES:CNc1nc(N(C)C)nc(N(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPIROLPYODZEU-UHFFFAOYSA-N", "SMILES:CNc1nc(NC)nc(N(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZIJHNJVQOXLO-YMUQFYNDSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDKKLGMBTLCUOE-GSZKFUDVSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1CC(=O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)CC(=O)CC(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQUSOTXSTWKUSR-YOMJSHEQSA-N", "SMILES:C[C@@H](CCO)C(=O)O[C@H]1CC(=O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1030", "category": ["biolink:ChemicalEntity"], "name": "4'-HYDROXY-DICLOFENAC", "xref": ["InChIKey:KGVXVPRLBMWZLG-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1032", "category": ["biolink:ChemicalEntity"], "name": "4',5-DIHYDROXY-DICLOFENAC", "xref": ["InChIKey:DRZFITWJHHNHAD-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(O)ccc1Nc1c(Cl)cc(O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHNYIHIHQEHJQ-UHFFFAOYSA-N", "SMILES:CC(=O)NNC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1160819", "category": ["biolink:ChemicalEntity"], "name": "AMMONIA SOLUTION, STRONG", "xref": ["InChIKey:QGZKDVFQNNGYKY-UHFFFAOYSA-N", "SMILES:N"], "synonym": ["Ammonia", "Ammonia water", "Ammonia", "Ammonia gas", "Ammonia solution", "Ammonia solution, strong", "Ammonia water", "Ammonia,aromatic", "Ammonia-solution", "Ammonium causticum", "Ammonium hydroxide", "Ammonium water", "Aqua ammonia", "Aqueous ammonia", "Nitro-sil", "R 717 (ammonia)", "Refrigerent r717", "Spirit of hartshorn", "Strong ammonia solution", "Strong-ammonia solution", "E-527", "INS NO.527", "INS-527"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL633", "category": ["biolink:ChemicalEntity"], "name": "AMIODARONE", "xref": ["InChIKey:IYIKLHRQXLHMJQ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1"], "synonym": ["Amiodarone", "Amiodarone", "Amiodarona", "Amiodarone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1600", "category": ["biolink:ChemicalEntity"], "name": "DESETHYLAMIODARONE", "xref": ["InChIKey:VXOKDLACQICQFA-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJOZCCILCJIHOA-UHFFFAOYSA-N", "SMILES:CNC(C)CN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446290", "category": ["biolink:ChemicalEntity"], "name": "DESACETYLRIFAMPIN", "xref": ["InChIKey:KUJZTIJOBQNKDR-OACVHIRKSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQTXFTNVWHOUNW-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C#N)CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544770", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXANTDQIIXQBZ-UHFFFAOYSA-N", "SMILES:CC(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTOXSWLGTVZLAU-SJNFCFLSSA-N", "SMILES:CC(C#N)c1cc(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOJLJLYVNQFCRE-UHFFFAOYSA-N", "SMILES:CN/C(=N\\CC[S+]([O-])Cc1nc[nH]c1C)NC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTWNRREBFKXNZ-UHFFFAOYSA-N", "SMILES:CN/C(=N\\CCSCc1nc[nH]c1CO)NC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544537", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROXYDIPHENYL-PYRIDYL METHANE", "xref": ["InChIKey:LJROKJGQSPMTKB-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1"], "synonym": ["Dihydroxydiphenyl-pyridyl methane", "LA 96", "LA-96"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRVPDCNRRXUDQK-YLSJHQJASA-N", "SMILES:O=C(O)[C@H]1OC(Oc2ccc(C(c3ccc(O)cc3)c3ccccn3)cc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL942", "category": ["biolink:ChemicalEntity"], "name": "BISACODYL", "xref": ["InChIKey:KHOITXIGCFIULA-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1"], "synonym": ["Bisacodyl", "Bisacodyl", "Bisacodyl", "Bisacodyl", "Bisacodilo", "Bisacodyl", "Bisacodyl", "Evac-q-tabs", "Modane", "NSC-755914", "Biolax", "Bisacodyl component of halflytely", "Correctol tablets, caplets", "Dulcodos", "Dulcolax", "Entrolax", "Feen-a-mint tablets", "Sk-bisacodyl", "Theralax"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJFMZZHCOKXHX-DUGPHZPDSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(CO)C[C@]4(C)[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544771", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544772", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544773", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL936", "category": ["biolink:ChemicalEntity"], "name": "DIPHENIDOL", "xref": ["InChIKey:OGAKLTJNUQRZJU-UHFFFAOYSA-N", "SMILES:OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1"], "synonym": ["Difenidol", "Difenidol hydrochloride", "Difenidol", "Difenidol hydrochloride", "Diphenidol", "Difenidol", "Diphenidol", "SK&F 478", "SK&F-478", "SK-478", "Vontrol", "Diphenidol"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSOPPZBTJXSFHD-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCNCCCC(O)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGMIAQDVHDWPL-UHFFFAOYSA-N", "SMILES:O=C1CCCCN1CCCC(O)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544775", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544777", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1297", "category": ["biolink:ChemicalEntity"], "name": "FENOPROFEN", "xref": ["InChIKey:RDJGLLICXDHJDY-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1cccc(Oc2ccccc2)c1"], "synonym": ["Fenoprofen", "Fenoprofen", "Fenoprofen", "Fenoprofen", "Fenoprofene", "Fenoprofeno", "53858", "LILLY-53858", "NSC-757813", "Progesic", "Fenoprofen"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGQDHFDPVTTEV-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1cccc(Oc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSUHRQWVHLYBBU-UHFFFAOYSA-N", "SMILES:CCC1(C)C(=O)NC(=O)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAEVKGHXFVBGHJ-UHFFFAOYSA-N", "SMILES:CC1(CCO)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLIWLUOIQLNEZ-ATGKHEOOSA-N", "SMILES:CC1(CCOC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYNQRGUEVLDON-UHFFFAOYSA-N", "SMILES:CC1(CC(=O)O)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZWFFGZMYBCOM-UHFFFAOYSA-N", "SMILES:CC(=O)C1(C)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNLIMWIEMRHRE-UHFFFAOYSA-N", "SMILES:CCC1(CO)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544778", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL873", "category": ["biolink:ChemicalEntity"], "name": "6-HYDROXYETODOLAC", "xref": ["InChIKey:GQHWDDBALZVXBU-UHFFFAOYSA-N", "SMILES:CCc1cc(O)cc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL875", "category": ["biolink:ChemicalEntity"], "name": "7-HYDROXYETODOLAC", "xref": ["InChIKey:LOALFJPXZIHKNH-UHFFFAOYSA-N", "SMILES:CCc1c(O)ccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL874", "category": ["biolink:ChemicalEntity"], "name": "8-(1-HYDROXYETHYL)ETODOLAC", "xref": ["InChIKey:IIJKSRXOHAISPV-UHFFFAOYSA-N", "SMILES:CCC1(CC(=O)O)OCCc2c1[nH]c1c(C(C)O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL872", "category": ["biolink:ChemicalEntity"], "name": "4-UREIDOETODOLAC", "xref": ["InChIKey:FOYLTCVVCSZQDD-UHFFFAOYSA-N", "SMILES:CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3NC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544779", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106581", "category": ["biolink:ChemicalEntity"], "name": "FENIROFIBRATE", "xref": ["InChIKey:ASDCLYXOQCGHNT-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(C(O)c2ccc(Cl)cc2)cc1)C(=O)O"], "synonym": ["Fenirofibrate", "Fenirofibrato", "LF-2151", "LF-433"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJNGWDHZBYRDRO-FRYOACGXSA-N", "SMILES:CC(C)(Oc1ccc(C(O)c2ccc(Cl)cc2)cc1)C(=O)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1036", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYHALOPERIDOL", "xref": ["InChIKey:WNZBBTJFOIOEMP-UHFFFAOYSA-N", "SMILES:OC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2096643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUSNQJCSYDJJG-WNQIDUERSA-N", "SMILES:C[C@H](O)C(=O)O.O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUYWHIAAQYQKPP-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZAYOZUFUAMFLD-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNOLNAPJKOYTHY-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJNJIDZTWNZND-UHFFFAOYSA-N", "SMILES:O=C(CCCN1C=CC(c2ccc(Cl)cc2)C=C1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPIKUHBALFONG-UHFFFAOYSA-N", "SMILES:O=C(CCC[n+]1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYOCZQLGNLJDON-UHFFFAOYSA-N", "SMILES:O=C(CCC[N+]1([O-])CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL101664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOMHACGFSJBIO-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2=CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVNNNRFMXOLHBK-UHFFFAOYSA-N", "SMILES:OC(CCC[N+]1=CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL941", "category": ["biolink:ChemicalEntity"], "name": "IMATINIB", "xref": ["InChIKey:KTUFNOKKBVMGRW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1"], "synonym": ["Imatinib", "Imatinib", "Imatinib", "Imatinib", "Glamox", "Imatinib", "NSC-743414", "NSC-759854"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3040018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQQYXPHRXIZMDM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544803", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544805", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544807", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLNWQPYFBIALN-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDADMESSMPJUJC-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccc(O)cc2c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL742", "category": ["biolink:ChemicalEntity"], "name": "KETAMINE", "xref": ["InChIKey:YQEZLKZALYSWHR-UHFFFAOYSA-N", "SMILES:CNC1(c2ccccc2Cl)CCCCC1=O"], "synonym": ["Ketamine", "Ketamine", "Ketamine", "Ketamine", "Ketamina", "Ketamine", "Anaket v", "Calypsol", "Clorketam 1000", "Dl-ketamine", "Imalgene 1000", "Ketamine", "Ketasol 100", "Narketan", "Tekam", "Ursotamin", "Vetaket", "NSC-70151", "PMI-150", "Ketalar", "Ketamine component of ketafol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1039", "category": ["biolink:ChemicalEntity"], "name": "NORKETAMINE", "xref": ["InChIKey:BEQZHFIKTBVCAU-UHFFFAOYSA-N", "SMILES:NC1(c2ccccc2Cl)CCCCC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBVGSWSOJBYGC-UHFFFAOYSA-N", "SMILES:NC1(c2ccccc2Cl)CCCC(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXBPJMHHWPXBJL-UHFFFAOYSA-N", "SMILES:NC1(c2ccccc2Cl)CCC=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNIMTHZVAYLUSL-UHFFFAOYSA-N", "SMILES:NC1(c2ccccc2Cl)CCC(O)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAXHSFGMMWDOAE-UHFFFAOYSA-N", "SMILES:CNC1(c2ccccc2Cl)CCCC(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCYPPLSMIAAHW-UHFFFAOYSA-N", "SMILES:CNC1(c2ccccc2Cl)CCC=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJRAGJDIUMHOLU-UHFFFAOYSA-N", "SMILES:CNC1(c2ccccc2Cl)CCC(O)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL629", "category": ["biolink:ChemicalEntity"], "name": "AMITRIPTYLINE", "xref": ["InChIKey:KRMDCWKBEZIMAB-UHFFFAOYSA-N", "SMILES:CN(C)CCC=C1c2ccccc2CCc2ccccc21"], "synonym": ["Amitriptyline", "Amitriptyline", "Amitriptilina", "Amitriptyline", "Amitriptyline", "Damitriptyline", "Flavyl", "Laroxyl", "Proheptadiene", "Seroten", "Triptanol", "Amitriptyline"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL627", "category": ["biolink:ChemicalEntity"], "name": "AMITRIPTYLINOXIDE", "xref": ["InChIKey:ZPMKQFOGINQDAM-UHFFFAOYSA-N", "SMILES:C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21"], "synonym": ["Amitriptylinoxide", "Amitriptylinoxyde", "Amitriptilinoxido", "Ambivalon", "Amitriptyline oxide", "Amitriptyline-n-oxide", "Amitriptylinoxide", "Amitryptyline-n-oxide", "Equilibrin", "J9.621K"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3638286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXMXRAPAGYPAJI-WIPJLNJESA-N", "SMILES:C[N+](C)(CCC=C1c2ccccc2CCc2ccccc21)C1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKUFJLAUUTUSLH-ZBKNUEDVSA-N", "SMILES:CN(C)CC/C=C1/c2ccccc2CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445", "category": ["biolink:ChemicalEntity"], "name": "NORTRIPTYLINE", "xref": ["InChIKey:PHVGLTMQBUFIQQ-UHFFFAOYSA-N", "SMILES:CNCCC=C1c2ccccc2CCc2ccccc21"], "synonym": ["Nortriptyline", "Nortriptyline", "Nortriptyline", "Nortriptyline", "Nortriptilina", "Nortriptyline", "Desitriptilina", "Lumbeck", "Noramitriptyline", "Nortrilen", "Nortriptyline", "Sesaval", "NCI-169453", "NSC-757234", "Allegron", "Aventyl", "Motipress", "Motival"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSLRRDSIIHRSEJ-PYOREGTBSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQFRALDEONNOA-UHFFFAOYSA-N", "SMILES:NCCC=C1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGXZGJKNUNLHK-WJDWOHSUSA-N", "SMILES:CNCC/C=C1/c2ccccc2CC(O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLXGTJCKXYPPT-FGNVECQLSA-N", "SMILES:CN(CC/C=C1/c2ccccc2CC(O)c2ccccc21)C1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSVHHHXSHULEA-AGSOVYPUSA-N", "SMILES:CNCC/C=C1/c2ccccc2C[C@@H](OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVWDSLYNHVKVAE-APSNUPSMSA-N", "SMILES:CNCC/C=C1/c2ccc(O)cc2CC(O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQHWFYPBSKGBMV-NSHDSACASA-N", "SMILES:COc1cc(C[C@](C)(N)C(=O)O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPBOYXOSSQEJBH-ZETCQYMHSA-N", "SMILES:COc1cc(C[C@H](C)N)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QARQPIWTMBRJFX-UHFFFAOYSA-N", "SMILES:O=C(O)C[S+]([O-])C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3559661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZESNOWZYHYRSRY-UHFFFAOYSA-N", "SMILES:NC(=O)CS(=O)(=O)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544809", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3278706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTSMDXZECLWCK-UHFFFAOYSA-N", "SMILES:CC(=O)CCc1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMFTHAMCVAMOK-UHFFFAOYSA-N", "SMILES:CC(O)CCc1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3278702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNVOSYBERVWSGY-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(CCC(C)O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTCWVBCWVAYKX-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(CC(O)C(C)=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1105", "category": ["biolink:ChemicalEntity"], "name": "6-METHOXY-2-NAPHTHYLACETIC ACID", "xref": ["InChIKey:PHJFLPMVEFKEPL-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(CC(=O)O)ccc2c1"], "synonym": ["6-methoxy-2-naphthylacetic acid", "6MNA"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNECZMXVHIGGSP-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCZLAGYGEYMZAQ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(CC(O)C(C)O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBALWNKUKFNSQF-UHFFFAOYSA-N", "SMILES:CC(=O)C(O)Cc1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURKJRPIIZIBLT-UHFFFAOYSA-N", "SMILES:CC(O)C(O)Cc1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQHJQGNGLQJPF-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1[N+](=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCVJQVUSQPANR-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARDQNVJJIRIJPD-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)nc(CO)c(C(=O)O)c1-c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZHFIISQXLFKEF-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)nc2c(c1-c1ccccc1[N+](=O)[O-])C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDURPJVQMHMFAY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)O)C(c2ccccc2[N+](=O)[O-])C(C(=O)OCC(C)(C)O)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MISIVWJIYYKBHA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC(C)(C)O)C(c2ccccc2[N+](=O)[O-])C(C(=O)O)=C(CO)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1647", "category": ["biolink:ChemicalEntity"], "name": "ACETAMINOPHEN GLUCURONIDE", "xref": ["InChIKey:IPROLSVTVHAQLE-BYNIDDHOSA-N", "SMILES:CC(=O)Nc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3638306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWLBSWATTSRBOV-DFSNYPBXSA-N", "SMILES:CS[C@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32CCC(=O)O2)[C@@]2(C)CCC(=O)C=C2[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODUXJSOTFOZOFQ-YAZZLADYSA-N", "SMILES:C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H](O)[C@@H](OC)C2OC(O)(C(=O)C2C)C(=O)N2CCCC[C@H]2C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)[C@@H](O)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQPNWJSCMPVMSP-QSAHFJMLSA-N", "SMILES:C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](O)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXXSSIALADGCY-UHFFFAOYSA-N", "SMILES:CN1CCCCC1CCN1c2ccccc2Sc2ccc(S)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCZHARCPHEHPT-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccc(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)cc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1314", "category": ["biolink:ChemicalEntity"], "name": "TIOPRONIN", "xref": ["InChIKey:YTGJWQPHMWSCST-UHFFFAOYSA-N", "SMILES:CC(S)C(=O)NCC(=O)O"], "synonym": ["Tiopronin", "Tiopronin", "Tiopronin", "Tiopronin", "Tiopronine", "Tiopronina", "Tiopronin", "NSC-760416", "Acadione", "Captimer", "Thiola", "Thiola ec"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2158192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMNLUUOXGOOLSP-UHFFFAOYSA-N", "SMILES:CC(S)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3638308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZXVQOCMCPTHC-KSPMYQCISA-N", "SMILES:O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQIVDURXFIFFOY-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)C4COc5cc(O)ccc5O4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVHRYIETHRCFI-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1226", "category": ["biolink:ChemicalEntity"], "name": "AMINODIMETHOXYQUINAZOLINYLPIPERAZINE", "xref": ["InChIKey:APKHJGDGWQDBGM-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCNCC3)nc(N)c2cc1OC"], "synonym": ["Aminodimethoxyquinazolinylpiperazine (piperazine derivative of terazosin)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLGIWVFFGMPRLM-SLHNCBLASA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OS(=O)(=O)O)ccc4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMBBXSASDSZJSX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDJZWWMQCIYMQ-YTWDBIDXSA-N", "SMILES:O=C(O)c1cnn(C2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGUXSYETMNGJA-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1ccc(N(CCO)CCO)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPCJBZABTUOGNM-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATIAHAUGEJHHNT-UHFFFAOYSA-N", "SMILES:O=C(O)CNCCNc1ccc(NCCNCCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXVVXKRKCLJCKA-XFVPOMSTSA-N", "SMILES:O=C(OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544737", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQNRNQELNLWHH-UHFFFAOYSA-N", "SMILES:NCC(F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MICNQLKUSOVNNG-UHFFFAOYSA-N", "SMILES:Nc1nc2c(ncn2COCC(=O)O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201391", "category": ["biolink:ChemicalEntity"], "name": "TENIVASTATIN", "xref": ["InChIKey:XWLXKKNPFMNSFA-HGQWONQESA-N", "SMILES:CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"], "synonym": ["Tenivastatin", "Tenivastatine", "Tenivastatina", "Simvastatin acid", "Simvastatin carboxylic acid", "Simvastatin hydroxy acid", "Tenivastatin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSJWQXVINJFOC-CBXQNYCLSA-N", "SMILES:CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NC(CSSCC(N)C(=O)O)C(=O)O)N[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJVNYCDXBXGQIK-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[N+](C)([O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFKYIRHIYFAJLP-MSLBUUDASA-N", "SMILES:Cc1cc2c(s1)N(OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1N=C2N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONKPOICDFFRNF-UGQOMJHJSA-N", "SMILES:O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544739", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORDARUCFJJHRLQ-UGQOMJHJSA-N", "SMILES:O=C(O)CCc1nc(-c2ccc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544785", "category": ["biolink:ChemicalEntity"], "name": "N-DESETHYLOXYBUTYNIN", "xref": ["InChIKey:SNIBJKHIKIIGPR-UHFFFAOYSA-N", "SMILES:CCNCC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1"], "synonym": ["N-desethyloxybutynin", "Nrx-101", "NRX-101", "NT-0502", "NT0502"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZGHZGJYDHOYCK-DTDSBCHDSA-N", "SMILES:CCCCC1C(=O)N(c2ccccc2)N(c2ccc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHPKSFMDHPSNR-UHFFFAOYSA-N", "SMILES:CC(CN)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1172777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEGKYFQLKYGHAR-UHFFFAOYSA-N", "SMILES:CSc1nc(N)nc2[nH]cnc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1230639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFQXXACDWBTCDT-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2[nH]c(=S)[nH]c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1490", "category": ["biolink:ChemicalEntity"], "name": "TRIHEXYPHENIDYL", "xref": ["InChIKey:HWHLPVGTWGOCJO-UHFFFAOYSA-N", "SMILES:OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1"], "synonym": ["Trihexyphenidyl", "Trihexyphenidyl", "Trihexyphenidyle", "Trihexifenidilo", "Apo-trihex", "Trihexyphenidyl", "NSC-12268"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544741", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKOAEVOSDHIVFX-UHFFFAOYSA-N", "SMILES:CC(NC(C)(C)CO)C(=O)c1cccc(Cl)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDPTTXIBLSWNSF-CABZTGNLSA-N", "SMILES:C[C@H](NC(C)(C)C)[C@H](O)c1cccc(Cl)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYHWAMJZKAEWQL-UHFFFAOYSA-N", "SMILES:O=C1CC2(CCCC2)C(O)C(=O)N1CCCCN1CCN(c2ncc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276521", "category": ["biolink:ChemicalEntity"], "name": "TETRAHYDROFURAN", "xref": ["InChIKey:WYURNTSHIVDZCO-UHFFFAOYSA-N", "SMILES:C1CCOC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3186899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJUTPCZVOIRIF-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMXKVIWWXBYXRS-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBLYZRMZFUWLOZ-ZTIKAOTBSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC(=O)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL804", "category": ["biolink:ChemicalEntity"], "name": "P-CHLOROBENZENESULFONAMIDE", "xref": ["InChIKey:HHHDJHHNEURCNV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIJTVUQEURKBDL-RWJQBGPGSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJMPVHCKUXKZAV-YTXXKCOASA-N", "SMILES:CC/C(=C(/CC)c1ccc(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544727", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1217", "category": ["biolink:ChemicalEntity"], "name": "HYDROXY PIROXICAM METABOLITE", "xref": ["InChIKey:CCKOORANQAQKKV-UHFFFAOYSA-N", "SMILES:CN1C(C(=O)Nc2ccc(O)cn2)=C(O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544728", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544729", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMIBSUUWQWSRQV-AHJHMENQSA-N", "SMILES:CC(O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL743", "category": ["biolink:ChemicalEntity"], "name": "CARBOXYLIC ACID METABOLITE OF CELECOXIB", "xref": ["InChIKey:WTHNOVFEXONZMI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTBSABHKHAHNU-CTNWFZKLSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDBJZSSZKCAQL-AKQVMVHGSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGRYVHKBWYXMGM-ZJTPLFFUSA-N", "SMILES:CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](O)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544763", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRRKLRVXZYOMO-UHFFFAOYSA-N", "SMILES:OC(CCCN1C=CC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544804", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544806", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1058", "category": ["biolink:ChemicalEntity"], "name": "DESCHLOROBENZOYL INDOMETHACIN", "xref": ["InChIKey:TXWGINUZLBAKDF-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C)c(CC(=O)O)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHWBJXOKAFHZAI-SFQUDFHCSA-N", "SMILES:CN(C)CC/C=C1\\c2ccccc2CC(O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKBCRWFSVWNWQQ-UHFFFAOYSA-N", "SMILES:CNCCC=C1c2ccccc2C(O)C(O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544808", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXBETDGCMQLMK-UHFFFAOYSA-N", "SMILES:CC(=O)Cc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3250637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSRGADMGIRTXAF-LURJTMIESA-N", "SMILES:C[C@H](N)Cc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1529857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTXZDQKYJIHOMB-UHFFFAOYSA-N", "SMILES:O=C(O)CS(=O)(=O)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074889", "category": ["biolink:ChemicalEntity"], "name": "TRIIODOTHYRONINE SULFATE", "xref": ["InChIKey:XBQYQXVJBNDCGY-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1cc(I)c(Oc2ccc(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHKVYPPCJBOSG-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(CC(C)(C)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTXSZZKPHBHMA-LYFYOZKASA-N", "SMILES:CC(C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(C(=O)c2ccccc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWOSNYDXMPKPRY-FNXUIADHSA-N", "SMILES:CC(O)[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRYBPCSEMMZHR-UHFFFAOYSA-N", "SMILES:COCC(O)c1ccc(OCC(O)CNC(C)C)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAWAIULJDYFLPD-CTTWBBHYSA-O", "SMILES:CN1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZEKJKOIIZBJFR-UHFFFAOYSA-N", "SMILES:Cc1nnc(CO)n1-c1ccc(Cl)cc1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCUIJBFFHDSMDP-JBKQDOAHSA-N", "SMILES:C#C[C@@]1(OS(=O)(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXVLZHFSPUCGL-VIVHBNLFSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXVLZHFSPUCGL-GZZXEUMKSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OS(=O)(=O)O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXVLZHFSPUCGL-WSIJOFGPSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDWQQNKJZGOEK-DSVZEAQISA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@H]4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOTADXJBFXFSLA-WHFBIAKZSA-N", "SMILES:CC(C)(SSC[C@H](N)C(=O)O)[C@@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSMLYGQTOGLZDA-BYPYZUCNSA-N", "SMILES:CSC(C)(C)[C@@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBNIFLGBKGGIH-UHFFFAOYSA-N", "SMILES:CC(=O)NNCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL542", "category": ["biolink:ChemicalEntity"], "name": "AMINOBENZOIC ACID", "xref": ["InChIKey:ALYNCZNDIQEVRV-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)O)cc1"], "synonym": ["Aminobenzoic acid", "Aminobenzoic acid", "P-aminobenzoic acid", "4-aminobenzoate", "4-aminobenzoic acid", "Benzoic acid, 4-amino", "P-aminobenzoic acid", "NSC-7627"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1157", "category": ["biolink:ChemicalEntity"], "name": "ADIPIC ACID", "xref": ["InChIKey:WNLRTRBMVRJNCN-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCC(=O)O"], "synonym": ["E355", "Adipic acid", "Adipic acid", "Adipidic acid", "Adipinic acid", "E-355", "FEMA NO. 2011", "INS NO.355", "INS-355", "NSC-7622"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3638283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWIWYPUKHSEMK-UWFGMTKGSA-N", "SMILES:C[C@]12C[C@H](C(=O)O)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL490", "category": ["biolink:ChemicalEntity"], "name": "PAROXETINE", "xref": ["InChIKey:AHOUBRCZNHFOSL-YOEHRIQHSA-N", "SMILES:Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1"], "synonym": ["Paroxetine", "Paroxetine", "Paroxetine", "Paroxetina", "Paroxetine", "(-)3s,4r-paroxetine", "Arketis", "Arotin", "Besitram", "Casbol", "Daparox", "Fg-7051", "Frosinor", "Motivan", "Parogen", "Paroxetine", "Paxpar", "Xetanor", "BRL 29060", "BRL-29060", "Paroxetine", "Paroxetine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3544659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEJVUVGUVCOISV-YOEHRIQHSA-N", "SMILES:COc1ccc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1514176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSMXQKNUPPXBRG-UHFFFAOYSA-N", "SMILES:CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCALHJGQCKATMK-XNBWOFMBSA-N", "SMILES:CC(C)NC[C@@H](COc1cccc2ccccc12)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544814", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3638315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBVHLXQTOAFHW-RCHFDKJZSA-N", "SMILES:CC(=O)C[C@@H](c1ccccc1)c1c(O)c2cc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLZTFAGJYBEIZ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(-c3ccc(OS(=O)(=O)O)cc3)c(N)nc2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1201384", "category": ["biolink:ChemicalEntity"], "name": "DDCTP", "xref": ["InChIKey:ARLKCWCREKRROD-POYBYMJQSA-N", "SMILES:Nc1ccn([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1"], "synonym": ["2',3'-dideoxycytidine 5'-triphosphate", "Ddctp"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544766", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544767", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544769", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRSVHSRIMHUKO-JUVIALTQSA-N", "SMILES:CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C#N)COC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZUNNBDULASMA-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1ccc(C(O)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3303082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWANUFLANSTTA-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C(N)=O)NCCSCc1nc[nH]c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241694", "category": ["biolink:ChemicalEntity"], "name": "ETHISTERONE", "xref": ["InChIKey:CHNXZKVNWQUJIB-CEGNMAFCSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "synonym": ["Ethisterone", "Ethisterone", "Etisterona", "Ethisterone", "NSC-9565", "Ora-lutin", "Pranone", "Syngestrotabs", "Trosinone", "Ethisterone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3544774", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544776", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXAAUVHIGIFUSM-YVDYEEJXSA-N", "SMILES:CC(C(=O)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKKQKZNFGTWILG-RFILDUPKSA-N", "SMILES:CC(C(=O)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(Oc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPHULFCUFXXVGD-UHFFFAOYSA-N", "SMILES:CC(O)C1(C)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOJZVSZYFTIOZ-DAZJWRSOSA-N", "SMILES:CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHGAHKOXEVKCKD-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)CCC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHEQVHAIRSPYDK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBHJFBFSJYTXDX-MVTLKLODSA-N", "SMILES:COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDUAYPFMBRYSNN-LJQANCHMSA-N", "SMILES:COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(CO)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYOVARHODFXRJC-GOSISDBHSA-N", "SMILES:Cc1cc(C)nc(O[C@H](C(=O)O)C(O)(c2ccccc2)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMUAOIGOKDGFCD-LJQANCHMSA-N", "SMILES:COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(CO)cc(CO)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLQZORAKRCFAGY-MVTLKLODSA-N", "SMILES:COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(CO)cc(CO)n1)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYNPRXQATWYSER-MVTLKLODSA-N", "SMILES:COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(CO)n1)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBIPKWXGCZRQDQ-GOSISDBHSA-N", "SMILES:Cc1cc(CO)nc(O[C@H](C(=O)O)C(O)(c2ccccc2)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1900528", "category": ["biolink:ChemicalEntity"], "name": "TIOTROPIUM", "xref": ["InChIKey:LERNTVKEWCAPOY-DZZGSBJMSA-N", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12"], "synonym": ["Tiotropium", "Tiotropium", "Tiotropium cation", "Tiotropium ion"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3706465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDIVGVZYGVCEG-ZFGVLOSHSA-N", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](O)C[C@H]1[C@@H]1O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVEJUHUCFCAYRP-UHFFFAOYSA-N", "SMILES:O=C(O)C(O)(c1cccs1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAMHTXDSGCXQR-APCYSLLASA-N", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(C3=CC4OC4S3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706469", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706470", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDVMMMDQUJJQSL-LMNSKPOLSA-O", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(C3=CC(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(O)S3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYJSKYZSWTFRS-LUVGYADSSA-O", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(C3=CC(O)C(O)S3)C3=CC(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(O)S3)C[C@H]1[C@@H]1O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706473", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSJRUJHYRCNLIQ-APCYSLLASA-N", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(C3=CC(O)C(O)S3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEZXIVKXCCLHC-OTDFPYDRSA-N", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(=O)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJGSTRSVRLYTFZ-UHFFFAOYSA-N", "SMILES:OC1C=CSC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706476", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706477", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWZFAUHXAPBFF-UHFFFAOYSA-N", "SMILES:O=C(O)C(O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222314", "category": ["biolink:ChemicalEntity"], "name": "THIOPHENE CARBOXYLIC ACID", "xref": ["InChIKey:QERYCTSHXKAMIS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BECIZFBLXAODNP-HVNVHWKESA-N", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(c3cccs3)C34OC3C=CS4)C[C@H]1[C@@H]1O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233", "category": ["biolink:ChemicalEntity"], "name": "CARISOPRODOL", "xref": ["InChIKey:OFZCIYFFPZCNJE-UHFFFAOYSA-N", "SMILES:CCCC(C)(COC(N)=O)COC(=O)NC(C)C"], "synonym": ["Carisoprodol", "Carisoprodol", "Carisoprodol", "Carisoprodol", "Carisoprodol", "Carisoprodol", "Carisoprodol", "NSC-172124", "Carisoma", "Carisoprodol", "Carisoprodol component of compound", "Carisoprodol component of soma compound", "Rela", "Soma", "Carisoprodol civ"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3706480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDWLQBKONOLZFQ-UHFFFAOYSA-N", "SMILES:CC(O)CC(C)(COC(N)=O)COC(=O)NC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3706481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFPTQOMOYSVDJ-UHFFFAOYSA-N", "SMILES:CC(O)CC(C)(COC(N)=O)COC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNJNGDGGZSOLF-DQYDNALCSA-N", "SMILES:CCCC(C)(COC(N)=O)COC(=O)N[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBVFLXCJNNIRES-UHFFFAOYSA-N", "SMILES:CC(CCCO)(COC(N)=O)COC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554", "category": ["biolink:ChemicalEntity"], "name": "LAPATINIB", "xref": ["InChIKey:BCFGMOOMADDAQU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"], "synonym": ["Lapatinib", "Lapatinib", "Lapatinib", "Lapatinib", "Lapatinib", "GSK-572016", "GW-2016", "GW-572016", "GW-572016X", "GW572016", "Tyverb"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVTCWAMLLWYBEI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(O)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHFMDSFFGTFSK-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGSOXVHSRJVIL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCN(O)Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMCGRMBEHWPHR-JFLMPSFJSA-N", "SMILES:CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(/N=C4\\C=CC(=O)C(Cl)=C4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUMUKHYSKSWHS-UHFFFAOYSA-N", "SMILES:O=NCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGGZMVCLQLQFS-IURWMYGYSA-N", "SMILES:O/N=C/c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706536", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706537", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCPGXZCOHAERPQ-UHFFFAOYSA-N", "SMILES:O=P1(N(CCCl)CCCl)N=CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXEDBYAXQXFDHD-XNZWOTSQSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL87658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKGMGPLDJOVCX-UHFFFAOYSA-N", "SMILES:O=P1(NCCCl)NCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSKPIOLLBIHNAC-UHFFFAOYSA-N", "SMILES:O=CCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGFIGVSVQRQBJ-UHFFFAOYSA-N", "SMILES:NP(=O)(OCCCO)N(CCCl)CCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVGSFFNNXIWBSA-VGWMRTNUSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CSCCN(CCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)P(N)(=O)O)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNSBKKJIQKSJT-UHFFFAOYSA-N", "SMILES:NC(CCC(=O)NC(CSCCC=O)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213529", "category": ["biolink:ChemicalEntity"], "name": "ACRYLIC ACID", "xref": ["InChIKey:NIXOWILDQLNWCW-UHFFFAOYSA-N", "SMILES:C=CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3706543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDCWHEDPSFRTDA-DVSFGLITSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C(O)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL307088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKSMHFPSILYEIA-MZXODVADSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccc(O)cc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3706544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGGNAWLXHJUEM-DVSFGLITSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccc(O)cc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C(O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL122465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTJGIYNKLKYDP-MZXODVADSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccc(O)cc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFDPRVCIBVUZSE-VLFLDKFOSA-N", "SMILES:O=C1c2cccc(O)c2C(=O)c2c(O)c3c(c(O)c21)C[C@@](O)(C(O)CO)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPFTSMZBSRZDV-UHFFFAOYSA-N", "SMILES:CCCC(C(=O)O)C(O)CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL117487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKNJEOBYOLUGKJ-FNORWQNLSA-N", "SMILES:CC/C=C(\\CCC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTMAHJABDOHPDJ-HWKANZROSA-N", "SMILES:C/C=C/C(CCC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1367", "category": ["biolink:ChemicalEntity"], "name": "4-EN-METABOLITE", "xref": ["InChIKey:UMYDNZXEHYSVFY-UHFFFAOYSA-N", "SMILES:C=CCC(CCC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OASKNPCLIHUTTL-UHFFFAOYSA-N", "SMILES:CCCC(CC(C)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3706505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWBCJXKYKOLJK-UHFFFAOYSA-N", "SMILES:CCCC(CCCO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKSYIHWRBBHIC-JVWRJRKNSA-N", "SMILES:CCCC(CCC)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3706506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPYHXKUZTSZTQU-UHFFFAOYSA-N", "SMILES:CCCC(C(=O)O)C(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFKPLKATEHNYRP-TWTPFVCWSA-N", "SMILES:C/C=C/C(=C\\CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUILWXIBBZVJDU-FNORWQNLSA-N", "SMILES:C=C/C=C(\\CCC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJRMYVTYHORJKC-UHFFFAOYSA-N", "SMILES:CCCC(CC(C)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNXFIJXYVEYLF-UHFFFAOYSA-N", "SMILES:CCCC(CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKNJEOBYOLUGKJ-ALCCZGGFSA-N", "SMILES:CC/C=C(/CCC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMYKHAEFZCRCH-UHFFFAOYSA-N", "SMILES:C=CCC(C(=O)O)C(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVJIPYCQSOPAC-YKJSIDGYSA-N", "SMILES:C=C/C=C(\\CCC)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIQVDFABTSAUBC-SJUGOULYSA-N", "SMILES:CCCC(/C=C/CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQPUSCGKONBBST-OGVVDMLWSA-N", "SMILES:CCC/C(=C\\CCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQPSXCCXWFQDBZ-LJRGRFNSSA-N", "SMILES:CCC[C@@H](/C=C/CSC[C@H](NC(C)=O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQPSXCCXWFQDBZ-MRUFAENASA-N", "SMILES:CCC[C@H](/C=C/CSC[C@H](NC(C)=O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRJGVUSSFXJCDM-RUYJGKKWSA-N", "SMILES:CCC/C(=C\\CCSC[C@H](NC(C)=O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL40", "category": ["biolink:ChemicalEntity"], "name": "PHENOBARBITAL", "xref": ["InChIKey:DDBREPKUVSBGFI-UHFFFAOYSA-N", "SMILES:CCC1(c2ccccc2)C(=O)NC(=O)NC1=O"], "synonym": ["Phenobarbital", "Phenobarbital", "Phenobarbital", "Fenobarbital", "Phenobarbital", "Phenobarbital", "NSC-128143", "NSC-128143-", "NSC-9848", "Gardenal", "Luminal", "Noptil", "Phenobarbitone", "Phenobarbital civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1908024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEPXMKJNWPXDBP-UHFFFAOYSA-N", "SMILES:CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQTUXVFRLKPUJG-BYNIDDHOSA-N", "SMILES:CCC1(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)C(=O)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFLLWMLFCOVBY-UHFFFAOYSA-N", "SMILES:CCC1(C2=CC(O)C(O)C=C2)C(=O)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDDVAGKNEASBMV-UHFFFAOYSA-N", "SMILES:CCC1(c2ccc(O)c(O)c2)C(=O)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1976326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBKHGECZFQWLRD-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCO)(c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRIJCSEOJCKLM-KBBLASEFSA-N", "SMILES:CCC1(c2ccccc2)C(=O)NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1398", "category": ["biolink:ChemicalEntity"], "name": "ALPHA-PHENYL-GAMMA-BUTYROLACTONE", "xref": ["InChIKey:QGHNDAKWOGAJHS-UHFFFAOYSA-N", "SMILES:O=C1OCCC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1305498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPZBXVBPICTBDP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1CC2CCCCC2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXMNSKLVUAOEW-PCCBWWKXSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWYNZOXGNSUHE-OALUTQOASA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)C(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROBIWNSFIUPVJO-UGJKXSETSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHYTRKWRSIOEV-NSHDSACASA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJRJYYPXNAHNMD-LILSUDLASA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVTYHWFAKZKCL-DVCLJZNLSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1C[C@@H]2C[C@@H](O)CC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQCJGICLIMLWFB-UGJKXSETSA-N", "SMILES:CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL435176", "category": ["biolink:ChemicalEntity"], "name": "SIBRAFIBAN", "xref": ["InChIKey:WBNUCLPUOSXSNJ-ZDUSSCGKSA-N", "SMILES:CCOC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(/C(N)=N/O)cc2)CC1"], "synonym": ["Sibrafiban", "Sibrafiban", "RO 48-3657/001", "RO-48-3657", "RO-48-3657/001", "RO-483657001", "Sibrafiban"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL107471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVCMKIDNIJWLV-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)c1ccc(C(=N)NO)cc1)C(=O)N1CCC(OCC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65267", "category": ["biolink:ChemicalEntity"], "name": "RO-44-3888", "xref": ["InChIKey:BHOGTSLQMNCJHA-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCC(OCC(=O)O)CC1"], "synonym": ["Ro-44-3888", "RO443888"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABZZLXXUPZIJD-VCVYQWHSSA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CO)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIIULBZUEYRYBL-VCVYQWHSSA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C=O)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZGHWPNTSVYFCV-APYNTUORSA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](c4ccccc4)N4C(=O)OC(C)(C)C4O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZZFVRAJNWWNDL-AYORVWLJSA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](c4ccccc4)N4C(=O)OC(C)(C)C4=O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKAVHPRGGAUFDN-RLQZAVHXSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@]2(C)C[C@@H](C)[C@]3(O[C@@]1(C)[C@H](O)[C@H]3C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOOBKBDBNRQCF-QNPWSHAKSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCWKFWHRTPRJCB-ZFWWWQNUSA-N", "SMILES:COc1c(C)cnc(Cn2cnc3c(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFHBBATFYWREY-JSGCOSHPSA-N", "SMILES:Cc1cnc(Cn2cnc3c(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)nc(N)nc32)c(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483254", "category": ["biolink:ChemicalEntity"], "name": "PANOBINOSTAT", "xref": ["InChIKey:FPOHNWQLNRZRFC-ZHACJKMWSA-N", "SMILES:Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1"], "synonym": ["Panobinostat", "Panobinostat", "Panobinostat", "Panobinostat", "Panobinostat", "Panobinostat hydrate", "LBH-589", "LBH589", "Farydak", "Panobinostat"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPJOGYQWSAATI-ZHACJKMWSA-N", "SMILES:CC12Nc3ccccc3C1(CCNCc1ccc(/C=C/C(=O)NO)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVXVAVCOKYEXMZ-ZHACJKMWSA-N", "SMILES:Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFAIWRXVGWGFM-RMKNXTFCSA-N", "SMILES:Cc1[nH]c2cc(O)ccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOZMMIFGJRFSNT-ZHACJKMWSA-N", "SMILES:Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSPCNQCXKLBQPJ-HRZVIGLNSA-N", "SMILES:C[C@@]12Nc3ccccc3[C@]1(O)CCN2Cc1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSZDCCBRUWSJBG-HRZVIGLNSA-N", "SMILES:C[C@@]12Nc3ccccc3[C@]1(O)CCN2Cc1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSUOTZHCHGUHCC-HRZVIGLNSA-N", "SMILES:C[C@@]12Nc3ccccc3[C@]1(O)CCN2Cc1ccc(/C=C/C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCANESPIOIPEPJ-AWTHQZBNSA-N", "SMILES:C[C@@]12Nc3cc(O)ccc3[C@]1(O)CCN2Cc1ccc(/C=C/C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBAQJMHJQGDBBO-RMKNXTFCSA-N", "SMILES:Cc1[nH]c2cc(O)ccc2c1CCNCc1ccc(/C=C/C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISCLPTLEFCRHEZ-JSGCOSHPSA-N", "SMILES:COc1cc2nccc(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTUXVIWJRKTNNR-VIFPVBQESA-N", "SMILES:COc1cc2nccc(SC[C@H](N)C(=O)O)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIPJXXQVWUFIJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1C(N)=O)C1(C=CN2)NC(C(=O)O)CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJEAMDJZVMBVHE-NSHDSACASA-N", "SMILES:COc1cc2nccc(N[C@@H](CS)C(=O)O)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWOKPSYUUGOBQ-IBGZPJMESA-N", "SMILES:COc1cc2nccc(N[C@@H](CSc3ccnc4cc(OC)c(C(N)=O)cc34)C(=O)O)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJVUBESQJDSTFC-VXKWHMMOSA-N", "SMILES:COc1cc2nccc(N[C@@H](CSSC[C@H](Nc3ccnc4cc(OC)c(C(N)=O)cc34)C(=O)O)C(=O)O)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYYYNMVXRWPIH-JTQLQIEISA-N", "SMILES:COc1cc2nccc(SC[C@H](N)C(=O)NCC(=O)O)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGKHRVHFZIULC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1C(N)=O)C1(C=CN2)NC(C(=O)NCC(=O)O)CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDRDOUSMFHKULC-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(NC(CS)C(=O)NCC(=O)O)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWTSJOGOCJSPED-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(NC(CSc3ccnc4cc(OC)c(C(N)=O)cc34)C(=O)NCC(=O)O)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFKJDJKGPMLTE-GOTSBHOMSA-N", "SMILES:COc1cc2nccc(N[C@@H](CSSC[C@H](Nc3ccnc4cc(OC)c(C(N)=O)cc34)C(=O)NCC(=O)O)C(=O)O)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRGJVVEKNHIIE-KWJCNBFNSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@H](O)CC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZKUWGUJVKMHC-NABJBPAWSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRGJVVEKNHIIE-PTNHXQMASA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)CC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527437", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWUXEGQKLTGDX-NSHDSACASA-N", "SMILES:Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@H](C)O)c(C)c34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526601", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFKKZAJPJKSNG-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc2c(c1)c1c(n2Cc2ccccn2)C[C@@H](N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANZLQIVCSISNF-INIZCTEOSA-N", "SMILES:CC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGOWXQHSMFTDQD-YTXWROIDSA-N", "SMILES:CC(C)OC(=O)N[C@H]1CC2(O)c3cc(C#N)ccc3N(Cc3ccccn3)C2(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYLZLLBMSMEHAN-RXVVDRJESA-N", "SMILES:CC(C)OC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKLHMXRQOSWPP-PBHICJAKSA-N", "SMILES:C[C@H](CO)OC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19032", "category": ["biolink:ChemicalEntity"], "name": "PENTAMETHYLQUERCETIN", "xref": ["InChIKey:ALGDHWVALRSLBT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL77553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUTKEQCBGLKZRI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)c(OC)c(-c3ccc(OC)c(O)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL74898", "category": ["biolink:ChemicalEntity"], "name": "AYANIN", "xref": ["InChIKey:KPCRYSMUMBNTCK-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(O)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL75589", "category": ["biolink:ChemicalEntity"], "name": "OMBUINE", "xref": ["InChIKey:BWORNNDZQGOKBY-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(O)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1087720", "category": ["biolink:ChemicalEntity"], "name": "TRIMETHYLAPIGENIN", "xref": ["InChIKey:ZXJJBDHPUHUUHD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL210635", "category": ["biolink:ChemicalEntity"], "name": "GENKWANIN", "xref": ["InChIKey:JPMYFOBNRRGFNO-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIXUZJDETFYGJQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(OS(=O)(=O)O)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAYLGJQBQRSER-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OS(=O)(=O)O)cc(OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275391", "category": ["biolink:ChemicalEntity"], "name": "CHRYSIN DIMETHYL ETHER", "xref": ["InChIKey:JRFZSUMZAUHNSL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL117", "category": ["biolink:ChemicalEntity"], "name": "CHRYSIN", "xref": ["InChIKey:RTIXKCRFFJGDFG-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFZHQAJHLAMKEF-ZFORQUDYSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2cccc3oc(-c4ccccc4)cc(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSAYCEBOGOJPLS-UHFFFAOYSA-N", "SMILES:COc1cc(OS(=O)(=O)O)c2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL356036", "category": ["biolink:ChemicalEntity"], "name": "TETRAMETHYLKAEMPFEROL", "xref": ["InChIKey:YZWIIEJLESXODL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OC)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZBAXKKOXPLOBX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL442289", "category": ["biolink:ChemicalEntity"], "name": "RHAMNOCITRIN", "xref": ["InChIKey:MQSZRBPYXNEFHF-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4106201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTVGSCZIHGRVAV-AJDPLLFCSA-N", "SMILES:CC(CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4106202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPLEHFGBRFRKI-UFEJFZICSA-N", "SMILES:CC(CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4106203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBGDQDJVTLQGNO-USLMHDLPSA-N", "SMILES:CC(CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526487", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526488", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKHZGAPANLMARS-TURBMSBNSA-N", "SMILES:CC(CC(=O)CC(C)(O)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUHVXQJFIIVGX-DQXAPYKYSA-N", "SMILES:CC(CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC(O)C(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526489", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526490", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFMHFRKIFVPJA-QVYBOAIUSA-N", "SMILES:CC(CC(=O)CC(C)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4106208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNVINRHHAOWLTA-LUQNUPBKSA-N", "SMILES:CC(CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(CO)[C@@H]1C[C@@H]3O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526491", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526492", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526493", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526494", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHFVQATNDCTBO-LSHZHFMRSA-N", "SMILES:CC(CC(=O)CC(C)(O)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC(O)C(=O)C(C)(C)[C@@H]1C[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKOSGCGOQWCRKA-DQXAPYKYSA-N", "SMILES:CC(CC(=O)CC(CO)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC(O)C(=O)C(C)(C)[C@@H]1C[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYGYBPRGVBVKJ-GQGQDMEXSA-N", "SMILES:CC(CC(=O)CC(C)(O)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(CO)[C@@H]1C[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVGRJBCZMHZIA-ISBYAQPVSA-N", "SMILES:CC(CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC(O)C(=O)C(C)(CO)[C@@H]1C[C@@H]3O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526496", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGSIAKZQNLEHL-HTAUGYGNSA-N", "SMILES:CC(CC(=O)CC(C)(O)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC(O)C(=O)C(C)(CO)[C@@H]1C[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKTSXMCLNJGRLD-JIBNASOQSA-N", "SMILES:CC(CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OS(=O)(=O)O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526497", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526498", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83", "category": ["biolink:ChemicalEntity"], "name": "TAMOXIFEN", "xref": ["InChIKey:NKANXQFJJICGDU-QPLCGJKRSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1"], "synonym": ["Tamoxifen", "Tamoxifen", "Tamoxifen", "Tamoxifene", "Tamoxifeno", "Tamoxifen", "Mammaton", "Novaldex", "Tamoplex", "Tamoxifen", "ICI-47699", "NSC-727681"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525767", "category": ["biolink:ChemicalEntity"], "name": "N-DESMETHYLTAMOXIFEN", "xref": ["InChIKey:NYDCDZSEEAUOHN-IZHYLOQSSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1"], "synonym": ["Demethyltamoxifen", "Desmethyltamoxifen", "Desmethyltamoxifen, n-", "N-demethyltamoxifen", "N-desmethyltamoxifen", "ICI-55548"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2137046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXUZVZSFRXZGTL-UHFFFAOYSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1093458", "category": ["biolink:ChemicalEntity"], "name": "ENDOXIFEN", "xref": ["InChIKey:MHJBZVSGOZTKRH-IZHYLOQSSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1"], "synonym": ["4-hydroxy-n-desmethyltamoxifen", "Endoxifen", "N-desmethyl-4-hydroxytamoxifen", "Z-endoxifen", "NSC-749798"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFIRLPDGPAOZML-WNAAXNPUSA-N", "SMILES:CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(O)c(O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269025", "category": ["biolink:ChemicalEntity"], "name": "EDOXABAN", "xref": ["InChIKey:HGVDHZBSSITLCT-JLJPHGGASA-N", "SMILES:CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1"], "synonym": ["Edoxaban", "Edoxaban", "Edoxaban", "Edoxaban", "Edoxaban", "DU-176", "Edoxaban"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3548561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIKVHUDEOYKYGJ-GMXVVIOVSA-N", "SMILES:CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)O)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3550091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEESEADVQCJXSF-DUVNUKRYSA-N", "SMILES:CNC(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3549528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGEBYLVLDVGYQI-OWWJRFFKSA-N", "SMILES:CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)c2nc3c(s2)C[N+](C)([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3549716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPYMJNYAASVNAP-CORIIIEPSA-N", "SMILES:CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)O)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3548175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYMWDLQMMPOMS-QDYCCJOXSA-N", "SMILES:CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)c2nc3c(s2)C[N+](C)([O-])CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3550090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRJAYKIRXDGFT-DUVNUKRYSA-N", "SMILES:CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)c2nc3c(s2)CNCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLNLONVCUKZPEM-JLJPHGGASA-N", "SMILES:CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)CO)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEGYZLGYBMDBMS-QWRGUYRKSA-N", "SMILES:N=C(N)N1CCN([C@@H]2CN[C@H](C(=O)N3CCC(F)(F)C3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVLJKIXZCUOQB-QWRGUYRKSA-N", "SMILES:O=C(O)[C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBSCTHYNPVKDO-JSGCOSHPSA-N", "SMILES:O=C([C@@H]1C[C@H](N2CCN(c3ncc(O)cn3)CC2)CN1)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCOQPDZTSRMKF-OGEQHTNRSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2cnc(N3CCN([C@@H]4CN[C@H](C(=O)N5CCC(F)(F)C5)C4)CC3)nc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDZDKTCTKCJWOP-JSGCOSHPSA-N", "SMILES:O=C([C@@H]1C[C@H](N2CCN(c3ncc(OS(=O)(=O)O)cn3)CC2)CN1)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQROQANSKAURFV-AKCVAETKSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](OC(=O)N2C[C@@H](N3CCN(c4ncc(O)cn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCFQBLZHYOGRY-JSGCOSHPSA-N", "SMILES:NC(=O)N1C[C@@H](N2CCN(c3ncc(O)cn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFYIIZQOWPJRA-LPRKUSKOSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](OC(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSNEBFIJUPZMI-ZFWWWQNUSA-N", "SMILES:O=CN1C[C@@H](N2CCN(c3ncc(O)cn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527231", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527232", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527233", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPYKZIDLULSRS-OXZOJPPVSA-N", "SMILES:O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJVVUKKJYWKRZ-KBPBESRZSA-N", "SMILES:NC(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONLWTLFZJOTQDB-XABKIJIISA-N", "SMILES:O=C([C@@H]1C[C@H](N2CCN(c3ncc(O)cn3)CC2)CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464825", "category": ["biolink:ChemicalEntity"], "name": "MANGIFERIN", "xref": ["InChIKey:AEDDIBAIWPIIBD-ZJKJAXBQSA-N", "SMILES:O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL187265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHTQCPCDXKMMLU-UHFFFAOYSA-N", "SMILES:O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525091", "category": ["biolink:ChemicalEntity"], "name": "M1,M2"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525106", "category": ["biolink:ChemicalEntity"], "name": "M6,M14"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525099", "category": ["biolink:ChemicalEntity"], "name": "M3,M4"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEORJKFOZSMEZ-BIPCEHGGSA-N", "SMILES:Oc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1688937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQSOTSIYXPYTRE-GNTOHDJUSA-N", "SMILES:Oc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@H]3c2ccc(O)c(O)c2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL43469", "category": ["biolink:ChemicalEntity"], "name": "ASARININ", "xref": ["InChIKey:PEYUIKBAABKQKQ-WZBLMQSHSA-N", "SMILES:c1cc2c(cc1[C@H]1OC[C@H]3[C@@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEORJKFOZSMEZ-WXPXUSHHSA-N", "SMILES:Oc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@H]3c2ccc3c(c2)OCO3)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525082", "category": ["biolink:ChemicalEntity"], "name": "Episesamin Monocatechol Methylate"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525081", "category": ["biolink:ChemicalEntity"], "name": "Episesamin Monocatechol Glucuronide"}
{"id": "CHEMBL.COMPOUND:CHEMBL252915", "category": ["biolink:ChemicalEntity"], "name": "SESAMIN", "xref": ["InChIKey:PEYUIKBAABKQKQ-AFHBHXEDSA-N", "SMILES:c1cc2c(cc1[C@H]1OC[C@H]3[C@@H]1CO[C@@H]3c1ccc3c(c1)OCO3)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1688934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEORJKFOZSMEZ-MBZVMHRFSA-N", "SMILES:Oc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1082870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQSOTSIYXPYTRE-YDOWWZDFSA-N", "SMILES:Oc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(O)c2)cc1O"], "synonym": ["3',3'-Bisdemethylpinoresinol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525084", "category": ["biolink:ChemicalEntity"], "name": "Sesamin Monocatechol Methylate"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525083", "category": ["biolink:ChemicalEntity"], "name": "Sesamin Monocatechol Glucuronide"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMYLWTQRTGGVBK-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4F)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHFQEDBZLLBPK-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(CC4=CC=C(F)C5OC45F)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLICQEDOBFVDHH-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(CC4=CC5OC5(F)C=C4F)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHCWDCNLQTFSV-OBGWFSINSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(/C=C4\\C=CC(F)=CC4=O)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFODLVBFWLKOP-OBGWFSINSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(/C=C4\\C=CC(=O)C=C4F)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGKOUFPOSVBYHB-OBGWFSINSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(/C=C4\\C=CC(O)(F)C=C4F)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEVNCPMINSXFID-OBGWFSINSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(/C=C4\\C=CC(F)=CC4(O)F)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPQNGGOQJLHDBQ-XCZPVHLTSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(Cc4cc(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c(O)cc4F)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527335", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDVLZUIQPFXTQY-XCZPVHLTSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)c(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c4O)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVCMFDMOZKWQLD-QZWORQFPSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(CC4=CC=C(F)C(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C4(O)F)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDIWVAZGIZZFCK-ZMQPBRSMSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(CC4=CC=C(F)C(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C4=O)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXBHJAFSFKLPTK-OOAYRKDSSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(CC4=CC(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(O)(F)C=C4F)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFTAKYUUIWBYBS-HSEOLAPHSA-N", "SMILES:CC(C)(O)c1ccc(N2CCN(c3nnc(CC4=CC(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)C=C4F)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771", "category": ["biolink:ChemicalEntity"], "name": "CLOPIDOGREL", "xref": ["InChIKey:GKTWGGQPFAXNFI-HNNXBMFYSA-N", "SMILES:COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1"], "synonym": ["Clopidogrel", "Clopidogrel", "Clopidogrel", "Clopidogrel", "Clopidogrel", "Clopidogrel", "NSC-758613", "R 130964", "R-130964", "SR 25990", "SR-25990"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2042272", "category": ["biolink:ChemicalEntity"], "name": "CLOPIDOGREL THIOLACTONE", "xref": ["InChIKey:JBSAZVIMJUOBNB-WUJWULDRSA-N", "SMILES:COC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKSADHBENQNEG-JYXIQEDQSA-N", "SMILES:COC(=O)[C@H](c1ccccc1Cl)N1CCC2C(=CC(=O)[S+]2[O-])C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIGXBJARBXPUAT-AWGNNQSZSA-N", "SMILES:COC(=O)[C@H](c1ccccc1Cl)N1CCC(SO)/C(=C\\C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYFUAVJLSJTJIU-SJGNYLTRSA-N", "SMILES:COC(=O)[C@H](c1ccccc1Cl)N1CCC(SSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)/C(=C/C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUDNVCEAAXNQA-DVQIPWARSA-N", "SMILES:COC(=O)[C@H](c1ccccc1Cl)N1CCC(S)/C(=C/C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXVLPJHYYFHCHK-UHFFFAOYSA-N", "SMILES:Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527433", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527434", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCQVFVHLJVTDY-UHFFFAOYSA-N", "SMILES:Cc1csc(NC(=O)c2cc(F)cc(Oc3cnc[nH]c3=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXITVJSQJJGEJ-UHFFFAOYSA-N", "SMILES:Cc1csc(NC(=O)c2cc(F)cc(Oc3c[nH]c(=O)[nH]c3=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXNPHQPVZJJHQL-UHFFFAOYSA-N", "SMILES:Cc1csc(NC(=O)c2cc(O)cc(Oc3c[nH]c(=O)[nH]c3=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLOAJISUHPIQOX-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPINWUPOPUKFW-UHFFFAOYSA-N", "SMILES:[O-][S+]1c2ccccc2N=C(N2CCNCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWOJGJDGLXKTF-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)Sc1ccccc1C(N1CCNCC1)=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526418", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259209", "category": ["biolink:ChemicalEntity"], "name": "MILNACIPRAN", "xref": ["InChIKey:GJJFMKBJSRMPLA-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)C1(c2ccccc2)CC1CN"], "synonym": ["Milnacipran", "Milnacipran", "Milnacipran", "Impulsor", "Milnacipran", "Milnacipran pierre fabre medicament"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL255839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVKUMJGXPDEXSQ-UHFFFAOYSA-N", "SMILES:CCNC(=O)[C@@]1(c2ccccc2)CC1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPUQFLWORYOJDZ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)C1(c2ccccc2)CC1CNC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQUAXXSVBPRHH-DWSCHDSASA-N", "SMILES:CCN(CC)C(=O)C1(c2ccccc2)CC1CNC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUINKXDLMIPNM-QRGVSUATSA-N", "SMILES:CCc1cc2c(cc1CC)CC(N(C[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQOVDZGKWREBH-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1CC)CC(NCC(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVIJLMNQNSQHB-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1CC)CC(N)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHOVNAABCPYSTQ-HDAPZSGNSA-N", "SMILES:CCc1cc2c(cc1C(C)O)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEUXTDFPHJNHA-IQEQWHAESA-N", "SMILES:CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3[nH]c(=O)ccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVTBCVRDIGHXMX-HNGGEHJHSA-N", "SMILES:CCc1cc2c(cc1C(C)O)CC(NC[C@H](O)c1ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3[nH]c(=O)ccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDWIMDKOXZZYHH-FQEVSTJZSA-N", "SMILES:Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](N6CCCCC6)C5)c34)cnn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKAAVHCAIRBPCF-FQEVSTJZSA-N", "SMILES:Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](N6CCCCC6)C5)c34)cnn2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525139", "category": ["biolink:ChemicalEntity"], "name": "M2"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWIVIRXGOQIDT-FQEVSTJZSA-N", "SMILES:Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H]([N+]6=CCCCC6)C5)c34)cnn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXDAAEYRXNNICB-HNNXBMFYSA-N", "SMILES:Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](N)C5)c34)cnn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJANZRIZLUYZQI-IBGZPJMESA-N", "SMILES:Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](N6CCCCC6=O)C5)c34)cnn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527113", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL355862", "category": ["biolink:ChemicalEntity"], "name": "ZONIPORIDE", "xref": ["InChIKey:GDXBRVCQGGKXJY-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1"], "synonym": ["Zoniporide", "Zoniporida"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAXYIGUUSAQMES-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1cnn(-c2cccc3[nH]c(=O)ccc23)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDZJLPDYMKPKGC-HNNXBMFYSA-N", "SMILES:Cc1cc2c(c(C)c1CCO)C(=O)[C@](C)(CO)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOAFRMHKOSBPID-UKRRQHHQSA-N", "SMILES:Cc1cc2c(c(C)c1CCO)C(=O)[C@](C)(CO)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTPWYUAUCFZJHT-OBEJHBQOSA-N", "SMILES:Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@](C)(CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNCSXMTBXDZQA-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(C)c1CCO)C(=O)C(C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQVBGOTHAMAJR-HNNXBMFYSA-N", "SMILES:Cc1c(CCO)c(CO)cc2c1C(=O)[C@](C)(CO)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZNVTHSIQYCKSS-HNNXBMFYSA-N", "SMILES:Cc1cc2c(c(C)c1CC(=O)O)C(=O)[C@](C)(CO)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYEZJDNVWNIIKS-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(C)c1CC(=O)O)C(=O)C(C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYNBVSGNUKDAC-PCUMXDKISA-N", "SMILES:Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDZJDGJEGHSXFF-UHFFFAOYSA-N", "SMILES:Cc1c(CCO)c(CO)cc2c1C(=O)C(C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPCNRKHGFIVLH-ZANVPECISA-N", "SMILES:Cc1cc2c(c(C)c1CCO)C(=O)[C@@H](C)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSMEZUCLRKQNM-HNNXBMFYSA-N", "SMILES:Cc1c2c(cc3c1C(=O)[C@](C)(CO)C3)COC(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUSZGOSUVDUJED-HNNXBMFYSA-N", "SMILES:Cc1c2c(cc3c1C(=O)[C@](C)(CO)C3)C(=O)OCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZPDCQXXGYHRLJ-UKRRQHHQSA-N", "SMILES:Cc1cc2c(c(C)c1CC(=O)O)C(=O)[C@](C)(CO)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJELVKOMLXCFNW-OBEJHBQOSA-N", "SMILES:Cc1cc2c(c(C)c1CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@](C)(CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZXMDXDAMPGBX-TZMCWYRMSA-N", "SMILES:Cc1cc2c(c(C)c1C)C(=O)[C@](C)(CO)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKOJSARKGQGQBZ-INIZCTEOSA-N", "SMILES:COC(=O)Cc1c(C)cc2c(c1C)C(=O)[C@](C)(CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKPSRNOJNMROT-OAHLLOKOSA-N", "SMILES:Cc1cc2c(c(C)c1CCO)C(=O)[C@](C)(C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCYWNWUXVVIBHJ-VOORTSMOSA-N", "SMILES:C=C1C(C)=C2C(=O)[C@](C)(CO)[C@H](O)C2=CC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFKSLKMCRZFTDC-HNNXBMFYSA-N", "SMILES:Cc1c(CCO)c(C(=O)O)cc2c1C(=O)[C@](C)(CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URNVXKHPCQZRFE-HNNXBMFYSA-N", "SMILES:Cc1c(CC(=O)O)c(CO)cc2c1C(=O)[C@](C)(CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIUWXHGKQDOBPS-OGLMRXNDSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHIGOGKMFBIOR-CURYNPBISA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQVDZVTHVVTGS-PXNSSMCTSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQTKNBPCJKRYPA-OAQYLSRUSA-N", "SMILES:CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMBGCHREERYYSP-OAQYLSRUSA-N", "SMILES:CCOc1ccc(-n2c([C@@H](C)N(Cc3ccc[n+]([O-])c3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVDULQPUXPKEL-LJQANCHMSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(O)cc1)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJYSTNPOXMTWIE-LJQANCHMSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(O)cc1)N(Cc1ccc[n+]([O-])c1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQALWYAUVNQTEM-LJQANCHMSA-N", "SMILES:C[C@H](C1=Nc2ncccc2C(=O)[N+]1=C1C=CC(=O)C=C1)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525140", "category": ["biolink:ChemicalEntity"], "name": "Intermediate B"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKVVVYHBBLDMI-XPLWZWCASA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1C1=CC=C(O)C2OC12)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQQUJTVAYSORL-XPLWZWCASA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1C1=CC=C(O)C(O)C1O)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525141", "category": ["biolink:ChemicalEntity"], "name": "M4a,M4b"}
{"id": "CHEMBL.COMPOUND:CHEMBL3542419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBAFEVKXJYQUND-GOSISDBHSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(O)c(O)c1)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJWSYJJHWRUGNN-AIGMYPEUSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1cc(O)c(O)cc1SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHWRRUIFSIJEQI-MHWRTBLVSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1cc(O)c(O)c(SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)c1)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JARPJCKJRYKPQY-AIGMYPEUSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(O)c(O)c1SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPDXXEVGEALJAF-GOSISDBHSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(O)cc1O)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSKLSUPBVTAAQ-MHWRTBLVSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1c(O)cc(O)cc1SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJXRJIRVNBVMR-AIGMYPEUSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1cc(SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)c(O)cc1O)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFCTBLAEJWBSR-AIGMYPEUSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(O)c(SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)c1O)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104993", "category": ["biolink:ChemicalEntity"], "name": "VORTIOXETINE", "xref": ["InChIKey:YQNWZWMKLDQSAC-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1"], "synonym": ["Vortioxetine", "Vortioxetine", "Vortioxetine", "Vortioxetina", "Vortioxetine", "Vortioxetine", "LU AA21004", "LU-AA21004", "LUAA21004", "Brintellix", "Vortioxetine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXJDYEMTWBXDQD-UHFFFAOYSA-M", "SMILES:Cc1ccc(Sc2cc([O-])ccc2N2CCNCC2)c(C)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXTVDOIIQUMTR-WLHGVMLRSA-N", "SMILES:Cc1ccc([S+]([O-])c2ccccc2N2CCNCC2)c(C)c1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZVSIQLKIWKAK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccccc2N2CCN(O)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INVFGIUFVDSKAT-UHFFFAOYSA-N", "SMILES:Cc1cc(CO)ccc1Sc1ccccc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOVDZHALVSNIQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)ccc1Sc1ccccc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385517", "category": ["biolink:ChemicalEntity"], "name": "SAXAGLIPTIN ANHYDROUS", "xref": ["InChIKey:QGJUIPDUBHWZPV-SGTAVMJGSA-N", "SMILES:N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2"], "synonym": ["Saxagliptin anhydrous", "BMS-477118", "SBMS-477118"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3542400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSTUQELPQUGWCG-YGADWWLDSA-N", "SMILES:N=C1N[C@@H](C23CC4CC(CC(O)(C4)C2)C3)C(=O)N2[C@@H]1C[C@@H]1C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526504", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525104", "category": ["biolink:ChemicalEntity"], "name": "M41,M44,M46"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525094", "category": ["biolink:ChemicalEntity"], "name": "M20,M23"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526502", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526518", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525108", "category": ["biolink:ChemicalEntity"], "name": "M8,M9"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525107", "category": ["biolink:ChemicalEntity"], "name": "M7,M11"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526531", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525095", "category": ["biolink:ChemicalEntity"], "name": "M26,M29"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526524", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525105", "category": ["biolink:ChemicalEntity"], "name": "M6,M12,M14"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526506", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525102", "category": ["biolink:ChemicalEntity"], "name": "M32"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525100", "category": ["biolink:ChemicalEntity"], "name": "M3,M4,M5,M10"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525093", "category": ["biolink:ChemicalEntity"], "name": "M18,M19"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526510", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525109", "category": ["biolink:ChemicalEntity"], "name": "monodehydroxyl norathyriol"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525101", "category": ["biolink:ChemicalEntity"], "name": "M31,M39"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525096", "category": ["biolink:ChemicalEntity"], "name": "M26,M29,M36,M38"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526501", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526529", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525103", "category": ["biolink:ChemicalEntity"], "name": "M33,M42,M43"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526406", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525092", "category": ["biolink:ChemicalEntity"], "name": "M17,M22,M24"}
{"id": "CHEMBL.COMPOUND:CHEMBL389166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXFPEKLLFWHMN-UHFFFAOYSA-N", "SMILES:O=c1c2cc(O)ccc2oc2cccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525097", "category": ["biolink:ChemicalEntity"], "name": "M27,M30"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525098", "category": ["biolink:ChemicalEntity"], "name": "M28,M35"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526521", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526411", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSWBNKDTMSHNY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccncc2)cc(C(C)C#Cc2c(C)nc(N)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVPTSHVZYEAGO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc[n+]([O-])cc2)cc(C(C)C#Cc2c(C)nc(N)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICWGHPXONKZMR-UHFFFAOYSA-N", "SMILES:Cc1nc(N)nc(N)c1C#CC(C)c1cc(O)cc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527177", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPLBUUTAQCZOE-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBYLESSQIWZUEG-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(-c2cc[n+]([O-])cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXIFWIBCVJFBNR-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CC(C)c1cc(O)cc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527170", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527171", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHGVYNMDPBQFR-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLQOQCFTFKHBW-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(-c2cc[n+]([O-])cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPGPHDXMLTJME-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CCc1cc(O)cc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZCHMGRCEXJPTP-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CCc1cc(-c2ccncc2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFSNJXCPBQPFH-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CCc1cc(-c2cc[n+]([O-])cc2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPVKEVSLLJQTF-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CCc1cc(-c2ccncc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527172", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPKWGSTVAQFAGZ-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CC(C)c1cc(-c2ccncc2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGCUGQVBCWHPAL-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CC(C)c1cc(-c2cc[n+]([O-])cc2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULQGWBPPMOMZGR-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CC(C)c1cc(-c2ccncc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527173", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527175", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783834", "category": ["biolink:ChemicalEntity"], "name": "GINSENOSIDE RH2", "xref": ["InChIKey:CKUVNOCSBYYHIS-IRFFNABBSA-N", "SMILES:CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTTXMCFEQIEWFA-HDCVESNUSA-N", "SMILES:C/C(=C/CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCOBOCWEVCUNT-KVGQQVSNSA-N", "SMILES:CC1(C)O[C@@H]1CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTTXMCFEQIEWFA-QPBBTJJSSA-N", "SMILES:C/C(=C\\CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCOBOCWEVCUNT-JDOJIHOHSA-N", "SMILES:CC1(C)O[C@H]1CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWCCERRCKVKBMO-VKYGUUGKSA-N", "SMILES:C/C(=C/CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIRHYQFOBJNNCZ-JDOJIHOHSA-N", "SMILES:CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526302", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526160", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHAXWKYIZJFQE-KBCCGFBUSA-N", "SMILES:CC(O)(CO)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526313", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKYJBZVFCMEMMW-DJTJAKRHSA-N", "SMILES:CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CC[C@H]5O[C@]5(C)CO)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOAFPPYAYXARJZ-IRFFNABBSA-N", "SMILES:CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCC=C(CO)CO)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTKYGRXZLMFIX-QPBBTJJSSA-N", "SMILES:C/C(C=O)=C\\CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWCCERRCKVKBMO-ZYHRFLOWSA-N", "SMILES:C/C(=C\\CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMBKMQHOHNTZRB-SHXYBYRDSA-N", "SMILES:CC(C)(O)C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIRHYQFOBJNNCZ-KVGQQVSNSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526304", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526310", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526312", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHAXWKYIZJFQE-SXYAWALCSA-N", "SMILES:CC(O)(CO)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKYJBZVFCMEMMW-GWORXFGNSA-N", "SMILES:CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CC[C@@H]5O[C@@]5(C)CO)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526314", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIQRMIPXPVUID-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4COCC3C(O)C4)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525113", "category": ["biolink:ChemicalEntity"], "name": "M5,M6,M7"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525110", "category": ["biolink:ChemicalEntity"], "name": "1-O-beta-glucuronide"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525111", "category": ["biolink:ChemicalEntity"], "name": "2,3,4-O-glucuronide"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525112", "category": ["biolink:ChemicalEntity"], "name": "M1,M2,M3"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525114", "category": ["biolink:ChemicalEntity"], "name": "Ring open products"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPWHHVISGFEZFK-RIJOFNGHSA-N", "SMILES:Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(=O)Oc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDSGPTAKWHAXDL-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104978", "category": ["biolink:ChemicalEntity"], "name": "PELIGLITAZAR", "xref": ["InChIKey:CUADMYMMZWFUCY-FQEVSTJZSA-N", "SMILES:COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1"], "synonym": ["Peliglitazar", "BMS-426707-1", "Peliglitazar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRMDUSWAOXYFQ-CRGLGLDNSA-N", "SMILES:Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@H](C)N(CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(=O)Oc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZBHHZGRBLGOB-IBGZPJMESA-N", "SMILES:Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@H](C)N(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAHUVFSRICZPZ-SXMXNQBWSA-N", "SMILES:COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCC(O)c3nc(-c4ccccc4)oc3C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEWJTNXBDXRZGX-IBGZPJMESA-N", "SMILES:COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCCC(=O)NC(=O)c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525118", "category": ["biolink:ChemicalEntity"], "name": "M2,M3"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNJSFKKJLSXBPJ-IBGZPJMESA-N", "SMILES:COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCCc3nc(-c4ccc(O)cc4)oc3C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526800", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525117", "category": ["biolink:ChemicalEntity"], "name": "M15,M15a"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525116", "category": ["biolink:ChemicalEntity"], "name": "M14,M14a,M14b"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGZYXFVUXQPSR-FQEVSTJZSA-N", "SMILES:COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCCc3nc(-c4ccccc4)oc3CO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXDHIICOTMYQGD-IBGZPJMESA-N", "SMILES:C[C@@H](c1ccc(OCCc2nc(-c3ccccc3)oc2CO)cc1)N(CC(=O)O)C(=O)Oc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLKAFSKMPXLEZ-CPFIQGLUSA-N", "SMILES:Cc1oc(-c2ccccc2)nc1C(O)COc1ccc([C@H](C)N(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYXFVCFISTUSOO-HKUCOEKDSA-N", "SMILES:CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526700", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZMLWOMSTXSMTL-LEJKDQSTSA-N", "SMILES:CC1(C)O[C@@H]1CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZMLWOMSTXSMTL-BVGXOPESSA-N", "SMILES:CC1(C)O[C@H]1CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROUZPBFWHICWJH-BVGXOPESSA-N", "SMILES:CC(C)(O)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROUZPBFWHICWJH-LEJKDQSTSA-N", "SMILES:CC(C)(O)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOAJFZJEGHSYOI-LEJKDQSTSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL466363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOAJFZJEGHSYOI-BVGXOPESSA-N", "SMILES:CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXJGZEZCKFQBLU-ULBLZTAMSA-N", "SMILES:CC(C)(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525122", "category": ["biolink:ChemicalEntity"], "name": "M5-3b"}
{"id": "CHEMBL.COMPOUND:CHEMBL2426038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCDJPYINJXPKU-XZFHKJHYSA-N", "SMILES:CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525119", "category": ["biolink:ChemicalEntity"], "name": "M3-2,M3-5a"}
{"id": "CHEMBL.COMPOUND:CHEMBL2426028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCDJPYINJXPKU-BDSQRYQESA-N", "SMILES:CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525121", "category": ["biolink:ChemicalEntity"], "name": "M3-5b"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525120", "category": ["biolink:ChemicalEntity"], "name": "M3-3,M3-4,M3-6,M4-1,M4-2,M4-3,M4-4,M4-5,M5-1,M5-3a,M5-2,M5-4"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUGRQNBDTZWXTP-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(O)cc2)coc2cc3c(c(O)c12)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFDLVUAOSRYYLT-NTKSAMNMSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2c3c(cc4occ(-c5ccc(O)cc5)c(=O)c24)OCO3)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPADQARYIBKIE-QSUZLTIMSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2ccc(-c3coc4cc5c(c(O)c4c3=O)OCO5)cc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486826", "category": ["biolink:ChemicalEntity"], "name": "IRISOLONE", "xref": ["InChIKey:RSSZOUXCQUJNKL-UHFFFAOYSA-N", "SMILES:COc1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c13)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENFSYNPQDHOTF-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZRCZPDGOKBZFR-UHFFFAOYSA-N", "SMILES:COc1cc(C(O)c2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525125", "category": ["biolink:ChemicalEntity"], "name": "M1,M4"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525126", "category": ["biolink:ChemicalEntity"], "name": "M3,M8,M9"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525127", "category": ["biolink:ChemicalEntity"], "name": "M5,M6,M7"}
{"id": "CHEMBL.COMPOUND:CHEMBL151", "category": ["biolink:ChemicalEntity"], "name": "LUTEOLIN", "xref": ["InChIKey:IQPNAANSBPBGFQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"], "synonym": ["Luteolin", "Cyanidenon-1470", "Digitoflavone", "Flacitran", "Luteolin", "Luteoline", "Luteolol", "Salifazide", "Weld lake", "Yama kariyasu"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL214321", "category": ["biolink:ChemicalEntity"], "name": "CHRYSOERIOL", "xref": ["InChIKey:SCZVLDHREVKTSH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL762", "category": ["biolink:ChemicalEntity"], "name": "OXYMETAZOLINE", "xref": ["InChIKey:WYWIFABBXFUGLM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1"], "synonym": ["Oxymetazoline", "Oxymetazoline", "Oxymetazoline", "Oximetazolina", "Oxymetazoline", "Nasacon", "Operil", "Oxymetazoline", "Afrin"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRZLTUKNRORBG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)(C)CO)c(O)c(C)c1CC1=NCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVSZQBAWWDGCDM-OALUTQOASA-N", "SMILES:Cc1c(O)c(C(C)(C)C)cc(CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1CC1=NCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525123", "category": ["biolink:ChemicalEntity"], "name": "HMA"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525124", "category": ["biolink:ChemicalEntity"], "name": "HMB"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGJKRZCZFCWZDE-HNNXBMFYSA-N", "SMILES:Cc1c(O)c(C(C)(C)C)cc(CSC[C@H](N)C(=O)O)c1CC1=NCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDWBYTYXTYYVEX-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)(C)C)c(O)c(C)c1Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQQUZZUJSDJSF-OALUTQOASA-N", "SMILES:Cc1c(O)c(C(C)(C)C)cc(CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYONBALMIDUDK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)(C)CO)c(O)c(C)c1Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMUBYAUCCQWLQ-OOWIMERYSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)Nc1cn([C@@](C)(C(=O)N2CCCC2)c2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMLHDLTXOXVBD-MRXNPFEDSA-N", "SMILES:C[C@](C(=O)N1CCCC1)(c1ccc(F)cc1)n1cnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526634", "category": ["biolink:ChemicalEntity"], "name": "1"}
{"id": "CHEMBL.COMPOUND:CHEMBL4526635", "category": ["biolink:ChemicalEntity"], "name": "2"}
{"id": "CHEMBL.COMPOUND:CHEMBL4526636", "category": ["biolink:ChemicalEntity"], "name": "3"}
{"id": "CHEMBL.COMPOUND:CHEMBL4526637", "category": ["biolink:ChemicalEntity"], "name": "4"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQXDYMICFCDSJH-CZNDPXEESA-N", "SMILES:C[C@](C(=O)N1CCCC1)(c1ccc(F)cc1)n1cnc2nc3ncn([C@@](C)(C(=O)N4CCCC4)c4ccc(F)cc4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527416", "category": ["biolink:ChemicalEntity"], "name": "MONOXERUTIN", "xref": ["InChIKey:MBHXKZDTQCSVPM-BDAFLREQSA-N", "SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "synonym": ["Monoxerutin", "Monoxerutin", "Monoxerutine", "Monoxerutina", "(.beta.-hydroxyethyl)rutoside, o-", "(beta-hydroxyethyl)rutoside, o-", "7-o-(.beta.-hydroxyethyl)rutoside"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3988904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHYDBRGABTXPDS-LGIWGDEMSA-N", "SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJWGUBUBAQMLH-YYWMDQEHSA-N", "SMILES:COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUDGURLLDSHSI-MAINETKUSA-N", "SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(OCC(=O)O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525115", "category": ["biolink:ChemicalEntity"], "name": "M1,M2"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKYPEQSPLYRPK-MQEXHQOGSA-N", "SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUGPYABTRQMRD-DIQQDIDOSA-N", "SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c4)oc4cc(OCC(=O)O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWOZMNZFLMOPD-OUDKFAJXSA-N", "SMILES:COc1ccc(-c2oc3cc(OCC(=O)O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZJFQSHKRKMXIE-DGHKUZIUSA-N", "SMILES:COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHQDQXTJBKEIC-VJWBNASDSA-N", "SMILES:COc1ccc(-c2oc3cc(OCC(=O)O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSKYIKYUCVNIEI-MVXJRKCZSA-N", "SMILES:COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURLWGHGAXFNQW-ZTHZTRLZSA-N", "SMILES:COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZUYFALDGMYPX-YZQASPGFSA-N", "SMILES:COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191", "category": ["biolink:ChemicalEntity"], "name": "LOSARTAN", "xref": ["InChIKey:PSIFNNKUMBGKDQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"], "synonym": ["Losartan", "Losartan", "Losartan", "Losartan", "Allisartan", "Angizaar", "Dup-89", "Exp-3174", "Losartan", "Losartan carboxylic acid", "Losartic", "Lozap", "E-3174", "EXP3174", "HGP-1405", "HGP1405", "NSC-758699"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525128", "category": ["biolink:ChemicalEntity"], "name": "S1?"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGVPJNRKRIWWIV-NWWUHRASSA-N", "SMILES:CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGRMJQDIUBITKP-UHFFFAOYSA-N", "SMILES:CCCC(O)c1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL308493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZSMTSTFMNWQF-UHFFFAOYSA-N", "SMILES:CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMCNHKMBFGXFMW-UHFFFAOYSA-N", "SMILES:CCCC(O)c1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPKQQYYBEFCTLZ-UHFFFAOYSA-N", "SMILES:CC(O)CCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL907", "category": ["biolink:ChemicalEntity"], "name": "CARBOXYLIC ACID METABOLITE", "xref": ["InChIKey:ZEUXAIYYDDCIRX-UHFFFAOYSA-N", "SMILES:CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"], "synonym": ["E-3174"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525129", "category": ["biolink:ChemicalEntity"], "name": "S2?"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFUJYZCMHDCXGQ-WSBQPABSSA-N", "SMILES:CC(C)(CO)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFTBMAPJHKDDJV-MKMSXTRJSA-N", "SMILES:CC(C)(NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL787", "category": ["biolink:ChemicalEntity"], "name": "MONTELUKAST", "xref": ["InChIKey:UCHDWCPVSPXUMX-TZIWLTJVSA-N", "SMILES:CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"], "synonym": ["Montelukast", "Montelukast", "Montelukast", "Montelukast", "Montelukast", "Brondilat", "Montelukast", "Singulair"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTNWCBEAVHLQA-XNHCCDLUSA-N", "SMILES:CC(C)(O)c1ccccc1CC[C@H](c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)[S+]([O-])CC1(CC(=O)O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQIEVSCRCMNLW-SHISVWIYSA-N", "SMILES:CC(O)(CO)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUCJSWWLSUSPOP-OZBDQGCQSA-N", "SMILES:CC(C)(O)c1cc(O)ccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHRNGXJVKOMERP-JSKALVASSA-N", "SMILES:CC(C)(O)c1ccccc1C(O)C[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLKXDPUZXIRXEP-LQVWSKNFSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S@@+](C)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18797", "category": ["biolink:ChemicalEntity"], "name": "SULINDAC SULFIDE", "xref": ["InChIKey:LFWHFZJPXXOYNR-MFOYZWKCSA-N", "SMILES:CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1"], "synonym": ["Cis-sulindac sulfide", "Sulindac related compound c", "Sulindac sulfide", "Sulindac sulfide, (z)-", "Sulindac sulphide, (z)-", "Z-sulindac sulfide", "Sulindac related compound c"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLKXDPUZXIRXEP-WXKFDZDZSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S@+](C)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488025", "category": ["biolink:ChemicalEntity"], "name": "EXISULIND", "xref": ["InChIKey:MVGSNCBCUWPVDA-MFOYZWKCSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc(S(C)(=O)=O)cc1"], "synonym": ["Exisulind", "Exisulind", "Aptosyn", "Exisulind", "Prevatec", "Sulindac sulfone", "Sulindac sulphone", "FGN-1", "Sulindac related compound b"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFMEGSMKIHDFZ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHWJUIZOKDUAQQ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCO)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQKRIKDIQASSH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1c(I)cc(C(=O)c2c(CCCCO)oc3ccccc23)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525131", "category": ["biolink:ChemicalEntity"], "name": "M11-2,M11-3,M11-4,M11-5"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527251", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525135", "category": ["biolink:ChemicalEntity"], "name": "M6-1,M6-2"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527248", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJXYXPYYKKUYMK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1c(I)cc(C(=O)c2c(CCCC(=O)O)oc3ccccc23)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVCYTDXVQNGLP-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCNCC)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525134", "category": ["biolink:ChemicalEntity"], "name": "M2"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525132", "category": ["biolink:ChemicalEntity"], "name": "M18-1,M18-2,M18-3"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525133", "category": ["biolink:ChemicalEntity"], "name": "M19-1,M19-2"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXMMDUCEAYUQO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(C(=O)c2c(CCCC(=O)O)oc3ccccc23)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527247", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBPQHFRENBEXBB-UHFFFAOYSA-N", "SMILES:CCNCCOc1c(I)cc(C(=O)c2c(CCCC(=O)O)oc3ccccc23)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527252", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525137", "category": ["biolink:ChemicalEntity"], "name": "M8-1,M8-5,M8-2,M8-3,M8-4"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525136", "category": ["biolink:ChemicalEntity"], "name": "M8-1,M8-5"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527250", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525138", "category": ["biolink:ChemicalEntity"], "name": "M8-2,M8-3,M8-4"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527249", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPCNRKHGFIVLH-RNCFNFMXSA-N", "SMILES:Cc1cc2c(c(C)c1CCO)C(=O)[C@H](C)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWZPMSCRUKWML-UHFFFAOYSA-N", "SMILES:NC(=O)N1c2ccccc2C=C(OS(=O)(=O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDZOCJZGXGBAP-HBWRTXEVSA-N", "SMILES:NC(=O)N1c2ccccc2C=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPDWHIDQYTSHX-CQSZACIVSA-N", "SMILES:NC(=O)N1c2ccccc2C[C@@H](O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMBFCYCIYDPVRG-YKPCMBIXSA-N", "SMILES:NC(=O)N1c2ccccc2C[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMBFCYCIYDPVRG-PORHTEBOSA-N", "SMILES:NC(=O)N1c2ccccc2C[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGQOPPDPVELEG-ZIAGYGMSSA-N", "SMILES:NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGQOPPDPVELEG-OKILXGFUSA-N", "SMILES:NC(=O)N1c2ccccc2[C@@H](O)[C@@H](O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525163", "category": ["biolink:ChemicalEntity"], "name": "unnamed DHD2"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUDLOYBEPHOERO-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(CC(O)C(N)=O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076347", "category": ["biolink:ChemicalEntity"], "name": "TRICLOCARBAN", "xref": ["InChIKey:ICUTUKXCWQYESQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1"], "synonym": ["Triclocarban", "Triclocarban", "3,4,4'-trichlorocarbanilide", "NSC-72005", "TCC", "Triclocarban"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTMAQKRWKXIFV-CLYSKQOPSA-N", "SMILES:O=C(O)[C@H]1OC(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSXGOLSKDABPC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITBIMLBMFACEN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(O)c1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBDVVPPOIJMSRH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQBQJHEPXUNPG-PDHYLSHYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSANPNAZRNHWME-PDHYLSHYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHQVDPNCJWGLS-PDHYLSHYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUUCJGVPMCXDNV-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2cc(O)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFYJSUPIOLUTI-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1710849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFURXZANOMQBD-UHFFFAOYSA-N", "SMILES:N=C(N)N1Cc2ccccc2C(O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNHPFQJFGPVJNU-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2cccc(O)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVRXMHGWNGANF-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2ccc(O)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRACHFXQBOEIS-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2cc(O)c(O)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYBMZHZNZQWIJY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CC(O)NCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGNZUBEUHRYQK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNC(O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGGZMVCLQLQFS-UHFFFAOYSA-N", "SMILES:ON=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEKUHASBFBNOO-NKHVPTTDSA-N", "SMILES:CS(=O)(=O)CC/[N+]([O-])=C/c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXMTMXPGKEXCD-MKNNEFPQSA-N", "SMILES:CS(=O)(=O)C/C=[N+](/[O-])Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525161", "category": ["biolink:ChemicalEntity"], "name": "M11,Intermediate 3"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLRDNTWZGRUPA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CC=O.ONCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQPZOUAAXRXPAM-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLDUFLYKPDTCS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL52440", "category": ["biolink:ChemicalEntity"], "name": "DEXTROMETHORPHAN", "xref": ["InChIKey:MKXZASYAUGDDCJ-NJAFHUGGSA-N", "SMILES:COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3"], "synonym": ["Dextromethorphan", "Dextromethorphan", "Dextromethorphan", "Dextromethorphane", "Dextrometorfano", "Dextromethorphan", "Dimetane-dx", "NSC-751452", "Dextromethorphan"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1254766", "category": ["biolink:ChemicalEntity"], "name": "DEXTRORPHAN", "xref": ["InChIKey:JAQUASYNZVUNQP-PVAVHDDUSA-N", "SMILES:CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13"], "synonym": ["Dextrorphan", "Dextrorphan", "Dextrorphane", "Dextrorfano", "Levorphanol d-form", "D-levorphanol", "Dextro-dromoran", "Ent-17-methylmorphinan-3-ol", "Levorphanol d-form", "RO 1-6794", "RO-1-6794"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILNSWVUXAPSPEH-PVAVHDDUSA-N", "SMILES:COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)NCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNWSQDZXMGGGI-KBMXLJTQSA-N", "SMILES:Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)NCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQAUTKINOXBFCA-CMMFVDGISA-N", "SMILES:CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMZHQFXXAAIBKE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c([S+]([O-])Cc3ncc(CO)c(OC)c3C)nc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1344", "category": ["biolink:ChemicalEntity"], "name": "OMEPRAZOLE SULFONE", "xref": ["InChIKey:IXEQEYRTSRFZEO-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRENVYGQBSBDIC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRGFNZYFRUUYBG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c([S+]([O-])Cc3ncc(C(=O)O)c(OC)c3C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBLMQXUEJPCNQG-CERCPEJVSA-O", "SMILES:O=C(CCC[N+]1(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525086", "category": ["biolink:ChemicalEntity"], "name": "4-Fluorobenzoylpropionic acid, Piperidine metabolite"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526439", "category": ["biolink:ChemicalEntity"], "name": "SIPOGLITAZAR", "xref": ["InChIKey:SRFCAWATPLCLMG-UHFFFAOYSA-N", "SMILES:CCOc1nn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1CCC(=O)O"], "synonym": ["Sipoglitazar", "TAK-654"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPLGCUSQVAOKNJ-UHFFFAOYSA-N", "SMILES:CCOc1nn(Cc2ccc(O)cc2)cc1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGBMFATZQUJBFD-KWONYSJQSA-N", "SMILES:CCOc1nn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1CCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFGMLQSHMICSKE-LUOFYKQISA-N", "SMILES:CCOc1nn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1CCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLJUMKJOWRMKTG-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILBUEPDLIIYRF-GMQKQUAPSA-N", "SMILES:O=C(O)CCc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBRLJEGCBBXRQN-ASMAMLKCSA-N", "SMILES:CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CCN(CC2CC2)CC1.Cl.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXWWIVUXFTSCQ-CGAIIQECSA-N", "SMILES:CN(CC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CCN(CC2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527275", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527273", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527271", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527272", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCIZGCFBHMZVTA-FQEVSTJZSA-N", "SMILES:CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZASYPWXKNYFF-SFHVURJKSA-N", "SMILES:CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H](NCCN)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527274", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103817", "category": ["biolink:ChemicalEntity"], "name": "OTENABANT HYDROCHLORIDE", "xref": ["InChIKey:KPYUQCJBZGQHPL-UHFFFAOYSA-N", "SMILES:CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.Cl"], "synonym": ["Otenabant hcl", "CP-945,598", "CP-945598", "Otenabant hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQGLTGAHBCMME-UHFFFAOYSA-N", "SMILES:NC(=O)C1(N)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMPIMHVJVXWPW-QQVVVCQFSA-N", "SMILES:NC(=O)C1(NC2O[C@H](CO)[C@@H](O)[C@H]2O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWNQMJJLXLOBIK-UHFFFAOYSA-N", "SMILES:NC1(C(=O)O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527212", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGMVNQWAILJZON-UHFFFAOYSA-N", "SMILES:NC(=O)C1(NO)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDQVLFKEBSKKN-PVLCVKBISA-N", "SMILES:NC(=O)C1(NO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCKTXQQCVIWQEZ-UHFFFAOYSA-N", "SMILES:ON=C1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226396", "category": ["biolink:ChemicalEntity"], "name": "6-CHLOROGUANINE", "xref": ["InChIKey:RYYIULNRIVUMTQ-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKXFUOQZGXTJHK-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBBCAAXVXOVGLY-UHFFFAOYSA-N", "SMILES:Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSIZXZUYZJXGY-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2c(O)nc3c(Cl)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMYVWBVTQHIQI-UHFFFAOYSA-N", "SMILES:COc1c(CO)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTGVOKJNROZXIC-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cnc3c(O)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526320", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526321", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZCVATBMJUREPD-NCWRXXFHSA-N", "SMILES:COc1c(CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USJYYTNDQJJQKL-NCWRXXFHSA-N", "SMILES:COc1c(CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cnc(Cn2cnc3c(O)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOZVEEVYDNBWRG-UHFFFAOYSA-N", "SMILES:Cc1cnc(Cn2c(O)nc3c(Cl)nc(N)nc32)c(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVXRGZPUPOVAKU-UHZRXMQZSA-N", "SMILES:CC(C)(C#N)c1cc(Cn2c[n+]([C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)cn2)cc(C(C)(C)C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEVMENHZPOWVGO-XPORZQOISA-N", "SMILES:Nc1nc(N)[n+]([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)nc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNSXICMOQFEIR-UHFFFAOYSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC(C=O)OC(O)(Cn5cncn5)c5ccc(Cl)cc5Cl)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525088", "category": ["biolink:ChemicalEntity"], "name": "M2,M3b"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXLYMYOLZVDOON-UHFFFAOYSA-N", "SMILES:CCN1c2ncc(CCOc3ccnc4ccccc34)cc2C(=O)N(C)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHDVHAOMMBPQB-OBEJHBQOSA-N", "SMILES:Cc1cc2c(c(C)c1CCO)C(=O)[C@](C)(CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527114", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526309", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526305", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526307", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526308", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526303", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526311", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWUJFVQGSLSSZ-SZRCHTAPSA-N", "SMILES:N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(O)(CC(O)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWBSJYZDBLPKL-SGTAVMJGSA-N", "SMILES:N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(OS(=O)(=O)O)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527402", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527401", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJVVVHQBNWXMNQ-FHKDIRIYSA-N", "SMILES:N=C1N[C@@H](C23CC4CC(O)(CC(O)(C4)C2)C3)C(=O)N2[C@@H]1C[C@@H]1C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSCVKZCOJUTUFD-IBGZPJMESA-N", "SMILES:CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N)ccc1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEOAQSOFPSCIAE-QFIPXVFZSA-N", "SMILES:CCOc1cc(CC(=O)N[C@@H](CC(C)(C)O)c2ccccc2N2CCCCC2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVHBBHOYIACRHO-GKKNLZSLSA-N", "SMILES:CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTKOIWGNBGHHGC-NRFANRHFSA-N", "SMILES:CC(C)C[C@H](NC(=O)Cc1ccc(C(=O)O)c(O)c1)c1ccccc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBMAZJVHPAVADF-AKRCKQFNSA-N", "SMILES:CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCC(O)C2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKLRWWITGUGRPX-CHQVSRGASA-N", "SMILES:CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2O)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYOVMHHUXYXBQJ-DEOSSOPVSA-N", "SMILES:CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2NCCCCC=O)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMBGPVQRXZSGW-QHCPKHFHSA-N", "SMILES:CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2NCCCCC(=O)O)ccc1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2177904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYGZAPMRYLRCN-HSZRJFAPSA-N", "SMILES:NC1=N[C@](c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDAOWSUJIRCSX-UHFFFAOYSA-N", "SMILES:NC1=NC(c2cc[n+]([O-])cc2)(c2cccc(-c3cncnc3)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106321", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106322", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHOIYRIYXINORZ-UHFFFAOYSA-N", "SMILES:NC1=NC(c2ccncc2)(c2cccc(-c3cncn3O)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525160", "category": ["biolink:ChemicalEntity"], "name": "M9a"}
{"id": "CHEMBL.COMPOUND:CHEMBL3542289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQOUHVIJJPPFHV-UHFFFAOYSA-N", "SMILES:NC1=NC(c2cc[n+]([O-])cc2)(c2cccc(-c3cnc[n+]([O-])c3)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOVHMMLYRIXLP-UHFFFAOYSA-N", "SMILES:NC1=NC(c2cc[n+]([O-])cc2)(c2cccc(-c3cncn3O)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICYWWKNRYXKJS-BCXLBXEJSA-N", "SMILES:NC1=NC(c2cc[n+]([O-])cc2)(c2cccc(-c3cncn3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQXSRCLULOZIP-BCXLBXEJSA-N", "SMILES:NC1=NC(c2ccncc2)(c2cccc(-c3cncn3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFELQGNXJDRKDW-DSSYAJFBSA-N", "SMILES:NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMBZGQBNOGDEBN-DEOSSOPVSA-N", "SMILES:NC1=N[C@@](c2cccc(-c3cnc[n+]([O-])c3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSNINDRKQJMGU-DEOSSOPVSA-N", "SMILES:NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2cc[n+]([O-])c(C(F)F)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSPCXWHHXBALGZ-UHFFFAOYSA-N", "SMILES:NC1=NC(c2cccc(C(O)CO)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMSPWHMGQBHTLB-UHFFFAOYSA-N", "SMILES:NC1=NC(c2cccc(-c3cnc[n+]([O-])c3)c2)(c2cc[n+]([O-])c(C(F)F)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTLKDTWTRYGGF-WXWOWMRGSA-N", "SMILES:NC1=NC(c2cccc(-c3cncn3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527157", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106323", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525089", "category": ["biolink:ChemicalEntity"], "name": "unknown 1"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525090", "category": ["biolink:ChemicalEntity"], "name": "unknown 2"}
{"id": "CHEMBL.COMPOUND:CHEMBL2059159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQKUGXEGMZCLE-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2ccc(C(O)c3ccccc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMHHSJZGVOEFS-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSFSRNHHRNZBOY-UHFFFAOYSA-N", "SMILES:CN1CC[N+](=c2nc3cc(Cl)ccc3nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIWJQXYSMBAIRA-AVRDEDQJSA-N", "SMILES:CN1CCN(C2=Nc3cc(Cl)c(SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)cc3Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DADYQGIQOBJGIW-HNCPQSOCSA-N", "SMILES:Cl.NC[C@H]1OB(O)c2c(OCCCO)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQRQDBIDTKEZAW-UHFFFAOYSA-N", "SMILES:NCC(O)c1cccc(OCCC(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPQLPDLYGBNBS-UHFFFAOYSA-N", "SMILES:NCC(O)c1cccc(OCCCO)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNZFUGKQMGAAD-SBSPUUFOSA-N", "SMILES:Cl.NC[C@H]1OB(O)c2c(OCCC(=O)O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECQEDZZJUTCHL-LLVKDONJSA-N", "SMILES:CC(=O)NC[C@H]1OB(O)c2c(OCCC(=O)O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1454", "category": ["biolink:ChemicalEntity"], "name": "LEVAMISOLE", "xref": ["InChIKey:HLFSDGLLUJUHTE-SNVBAGLBSA-N", "SMILES:c1ccc([C@H]2CN3CCSC3=N2)cc1"], "synonym": ["Levamisole", "Levamisole", "Levamisole", "Levamisol", "Levamisole", "Levamisole", "Tetramisole, (s)-", "TCMDC-125847"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBEDXUHDXKEDES-SNVBAGLBSA-N", "SMILES:Oc1ccc([C@H]2CN3CCSC3=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1330852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSMDKHVRFBRNJ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cn3c(n2)SCC3)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXCIKSXIVBFOH-YHMJZVADSA-N", "SMILES:OC1CN2C[C@H](c3ccccc3)N=C2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYSGMHTZLJSKQ-NFJWQWPMSA-N", "SMILES:OC12N[C@@H](c3ccccc3)CN1CCS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKMPBDHRLXWMT-TXLQLUPRSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2ccc([C@H]3CN4CCSC4=N3)cc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1502560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAKNXVYBQHMJDW-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cn3c(n2)SCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXAEISGUNNZIP-UHFFFAOYSA-N", "SMILES:[O-][S+]1CCn2cc(-c3ccc(O)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISGOSWWOQJZRBI-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCn2cc(-c3ccc(O)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSROVOWQWMTEIM-SNVBAGLBSA-N", "SMILES:O=CCN1C[C@H](c2ccccc2)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBZLFCNNUNCGQT-SECBINFHSA-N", "SMILES:O=C(O)CN1C[C@H](c2ccccc2)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWLQYKBSDGZXKU-SECBINFHSA-N", "SMILES:O=C(O)CN1C[C@H](c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABUPVNEGYIKOI-MRVPVSSYSA-N", "SMILES:S=C1NC[C@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKEBXNMGHUCPEZ-SNVBAGLBSA-N", "SMILES:O=C1N[C@@H](c2ccccc2)CN1CCS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZFCJBVYODRRRU-LLVKDONJSA-N", "SMILES:CSCCN1C[C@H](c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMMQJYDAACFRG-VCQTYVLVSA-N", "SMILES:C[S+]([O-])CCN1C[C@H](c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDSAXZXFUOAJSV-KRWDZBQOSA-N", "SMILES:COc1cc2c(cc1OC)[C@H](CCc1ccc(C(F)(F)F)cc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBGXKVPJPLLVKU-JYFHCDHNSA-N", "SMILES:CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(O)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLLHVAGVUSWTO-HHHXNRCGSA-O", "SMILES:CNC(=O)[C@@H](c1ccccc1)[n+]1ccc2cc(OC)c(OC)cc2c1CCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXQVHTULATYGAZ-JYFHCDHNSA-N", "SMILES:CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(O)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKPMZERRTCMUKQ-WIOPSUGQSA-N", "SMILES:CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(O)c(O)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526355", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526352", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526354", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526350", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526357", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526349", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526346", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCBNLFTZZMJSJE-GINXKRCJSA-N", "SMILES:COc1cc2c(cc1OC)[C@H](CC(O)c1ccc(C(F)(F)F)cc1)N([C@@H](C(N)=O)c1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525149", "category": ["biolink:ChemicalEntity"], "name": "M35-i"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525145", "category": ["biolink:ChemicalEntity"], "name": "M12-i"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525148", "category": ["biolink:ChemicalEntity"], "name": "M32-i"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525144", "category": ["biolink:ChemicalEntity"], "name": "M10-i"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525150", "category": ["biolink:ChemicalEntity"], "name": "M38-i"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525158", "category": ["biolink:ChemicalEntity"], "name": "M69-i"}
{"id": "CHEMBL.COMPOUND:CHEMBL3542243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEASKVFFBWTHJX-AREMUKBSSA-O", "SMILES:COc1cc2cc[n+]([C@@H](C(N)=O)c3ccccc3)c(CCc3ccc(C(F)(F)F)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRKWSWZVRTUDQ-AREMUKBSSA-O", "SMILES:CNC(=O)[C@@H](c1ccccc1)[n+]1ccc2cc(OC)c(O)cc2c1CCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAJJYHILVOCABG-AREMUKBSSA-O", "SMILES:CNC(=O)[C@@H](c1ccccc1)[n+]1ccc2cc(O)c(OC)cc2c1CCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525146", "category": ["biolink:ChemicalEntity"], "name": "M28"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526344", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAHLGAKOCPHSR-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1O)CCN[C@H]2CCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526370", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJZHQFCDBGCSGH-BHWOMJMDSA-N", "SMILES:COc1cc2c(cc1OC)[C@H](CC(O)c1ccc(C(F)(F)F)cc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525153", "category": ["biolink:ChemicalEntity"], "name": "M48"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526330", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526361", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCFGWAUVEVBYHH-UHFFFAOYSA-N", "SMILES:COc1cc2ccnc(CCc3ccc(C(F)(F)F)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526371", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525156", "category": ["biolink:ChemicalEntity"], "name": "M63-i"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526359", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526369", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525152", "category": ["biolink:ChemicalEntity"], "name": "M43"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525151", "category": ["biolink:ChemicalEntity"], "name": "M42"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526332", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526365", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526614", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOEPLYMBUVMPPH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNC(O)c1ccc(-c2ccc3ncnc(Nc4ccc(O)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526615", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYHCWWDNXTNJQ-QWWIYYRCSA-N", "SMILES:CC(=O)N1C[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRMBJQSHQAYNB-YOEHRIQHSA-N", "SMILES:COc1cc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)ccc1OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPEIBIYIZBYDPS-DIOOHGQSSA-N", "SMILES:COc1cc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXJBCZTVXQIPI-UHFFFAOYSA-N", "SMILES:C[N+]1=CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLIKVGVFKKIVKF-UHFFFAOYSA-N", "SMILES:CN1CC=[N+](C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGZLSMWTACJBSH-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3cc(Cl)c(O)cc3Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFIEOIPFQOEAY-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3c(ccc(Cl)c3O)Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUCZBIQSYYWEF-UHFFFAOYSA-N", "SMILES:C[N+]1([O-])CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJYKPCAQDDSGZ-UHFFFAOYSA-N", "SMILES:CNCCNC1=Nc2cc(Cl)ccc2Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL845", "category": ["biolink:ChemicalEntity"], "name": "N-DESMETHYLCLOZAPINE", "xref": ["InChIKey:JNNOSTQEZICQQP-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2"], "synonym": ["N-Demethylclozapine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNEOPUAIBRLQMV-UHFFFAOYSA-N", "SMILES:NCCNC1=Nc2cc(Cl)ccc2Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACAYKYZTNOYVMH-RXVVDRJESA-N", "SMILES:CN1CCN(C2=Nc3cc(Cl)cc(SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)c3Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCEKUMNHTBTFSP-RXVVDRJESA-N", "SMILES:CN1CCN(C2=Nc3c(ccc(Cl)c3SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525085", "category": ["biolink:ChemicalEntity"], "name": "CG-5"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONKUJAFPYCTGCY-CVDCTZTESA-N", "SMILES:CN1CCN(C2=Nc3cc(SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)ccc3Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWMYRETUXQDSJQ-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGAPYVUGNXETIN-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)C(C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542194", "category": ["biolink:ChemicalEntity"], "name": "SAIKOSAPONIN A", "xref": ["InChIKey:KYWSCMDFVARMPN-MSSMMRRTSA-N", "SMILES:C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSVJIGMYVWUJL-WMYDXDAXSA-N", "SMILES:C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525142", "category": ["biolink:ChemicalEntity"], "name": "M14,M15"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525143", "category": ["biolink:ChemicalEntity"], "name": "M16,M17"}
{"id": "CHEMBL.COMPOUND:CHEMBL3542345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBQSOTVBGNWDI-CUMBFETHSA-N", "SMILES:CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZMZHGCGXZEOB-GWVYUVGISA-N", "SMILES:CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CCC(=O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCIIOZJVYLQBOA-CUMBFETHSA-N", "SMILES:CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)C=C[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526837", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526838", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTPHURDVMCZDLM-CRHPDMSDSA-N", "SMILES:CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C(=O)O)C[C@@H]2O)[C@@H]3C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526839", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526841", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYUOXPFRBDONY-UHFFFAOYSA-N", "SMILES:CO/N=C(\\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)cn3)o2)nc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTNOOAOQALMKNE-UHFFFAOYSA-N", "SMILES:CO/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cn3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGZDDMFCPNENL-UHFFFAOYSA-N", "SMILES:N/C(=N\\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\\O)cn3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFRKBXFEZJONPH-UHFFFAOYSA-N", "SMILES:CO/N=C(\\N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cn3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKYPOQUICFFIQ-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cn3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCYKGSVRQXNAR-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cn3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJINMDXOSTAIJ-HQZKGGBDSA-N", "SMILES:CCOc1ccc([C@@H](O)c2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRDLOWUHLQEAX-GCGVPRHFSA-N", "SMILES:CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWJAFYOAQFTQX-GCGVPRHFSA-N", "SMILES:CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4O)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526186", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHORDSFKUFJGMW-KNJMJIDISA-N", "SMILES:OC[C@@]12CO[C@@](c3ccc(Cl)c(Cc4ccc(O)cc4)c3)(O1)[C@H](O)[C@@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526188", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMDZAYFVCXHFM-ZDUSSCGKSA-N", "SMILES:O=C1Nc2cc(O)c(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVOMPCQLMFEDT-ZDUSSCGKSA-N", "SMILES:O=C1Nc2c(O)cc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGKQHJMJSQQBF-ZDUSSCGKSA-N", "SMILES:O=C1Nc2c(cc(Cl)c(O)c2O)[C@@](C#CC2CC2)(C(F)(F)F)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WILFXLMJFSKQRP-ZDUSSCGKSA-N", "SMILES:O=C1Nc2c(O)cc(Cl)cc2[C@@](C#CC2(O)CC2)(C(F)(F)F)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525162", "category": ["biolink:ChemicalEntity"], "name": "dihydroxy EFV"}
{"id": "CHEMBL.COMPOUND:CHEMBL49563", "category": ["biolink:ChemicalEntity"], "name": "alpha-TOCHOPHEROL", "xref": ["InChIKey:GVJHHUAWPYXKBD-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URYLCCKXLNXSRS-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)CO)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL527285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXODOWFEFKOVSH-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CCC(C)(CCC(=O)O)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMZOJSAQNPOYTG-SXLYXVMFSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZQXPXVWOYDFQ-JDBBSPJRSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4C=C(F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHXPNLMNQYZMN-HUQLGDQKSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@](O)(F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKOITIXYYQQNG-JDBBSPJRSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFACIAPTIUOFE-FBUJRGKDSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEDYNJVITFVPOG-CQRCZTONSA-N", "SMILES:CCC(=O)O[C@]1(C(=O)O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNWGUDQZFLDGP-DGGKRYAMSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPZLQJLMNKVAZ-JNQJZLCISA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4C=CC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMJSKWRCHLTCCW-PXGYRYRDSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMGICFXHVUYQP-VVIPXABMSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBSSHJZTNNYCED-ZKNYGLMYSA-N", "SMILES:CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVVDXJXIDYDMF-GVTADUIWSA-N", "SMILES:CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFKEHNWUXWRPI-BZGQYQIDSA-N", "SMILES:CCC(O)C1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFBFHEDLHIWDQX-KWVAZRHASA-N", "SMILES:CCCC1O[C@@H]2C[C@H]3[C@@H]4C=CC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGUJHRQHWTOIY-TUISPTSDSA-N", "SMILES:CCCC1(O)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNVQDRXNQLFAHB-OTUUEPHNSA-N", "SMILES:CCCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKYBDYVXDAYPY-ILNISADRSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1229211", "category": ["biolink:ChemicalEntity"], "name": "DOLUTEGRAVIR", "xref": ["InChIKey:RHWKPHLQXYSBKR-BMIGLBTASA-N", "SMILES:C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12"], "synonym": ["Dolutegravir", "Dolutegravir", "Dolutegravir", "Dolutegravir", "Dolutegravir", "GSK 1349572", "GSK-1349572", "GSK1349572", "GSK1349572A", "S-349572", "Dolutegravir"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSWVIGYRNQZNSD-DGPWBEAXSA-N", "SMILES:C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMHRNOGJRCGHF-SMECUGBDSA-N", "SMILES:C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NC(O)c4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IORBWJQXSCJOCL-SVRRBLITSA-N", "SMILES:C[C@@H]1CCO[C@H]2Cn3cc(C(N)=O)c(=O)c(O)c3C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512306", "category": ["biolink:ChemicalEntity"], "name": "DPA-714", "xref": ["InChIKey:FLZZFWBNYJNHMY-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)cc(C)nc12"], "synonym": ["J2.865.885K"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPHRGQVBIEWSO-UHFFFAOYSA-N", "SMILES:CCNC(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)cc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNPWVZZOTNFVLY-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc(O)cc2)nn2c(C)cc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPXGUQPDQIIDB-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(CO)cc(CO)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVEMLJMKAADARM-UHFFFAOYSA-N", "SMILES:CCNC(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)cc(CO)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLWPJPOFCYXDB-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)cc(CO)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYUWJRUPBAJNN-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)cc(C(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKKOXKPHNQLLO-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(CO)cc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZFYWKTLMNKIM-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C(=O)O)cc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRTOZFXRYMYSOF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXBJDDAWIJZITC-UHFFFAOYSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5OC(Cn6cncn6)(c6ccc(Cl)cc6Cl)OC5O)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525087", "category": ["biolink:ChemicalEntity"], "name": "M2,M3a"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGWZAFXPOLJQX-UHFFFAOYSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC(O)C=O)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMSCQTPJKMJREM-UHFFFAOYSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC(O)CO)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDWWTHAMRGOJCA-UHFFFAOYSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC(=O)CO)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105653", "category": ["biolink:ChemicalEntity"], "name": "SETILEUTON", "xref": ["InChIKey:MAOIDRRXRLYJNV-NRFANRHFSA-N", "SMILES:CC[C@](O)(c1nnc(NCc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)o1)C(F)(F)F"], "synonym": ["Setileuton", "MK-0633", "Setileuton"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVBFZMBABUMRT-NRFANRHFSA-N", "SMILES:CC[C@](O)(C(=O)NNC(=O)NCc1ccc2c(-c3ccc(F)cc3)cc(=O)oc2c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDQKYQKASVMAH-CLYSKQOPSA-N", "SMILES:O=C(O)[C@H]1OC(N(C(=O)Nc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527176", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTRNVQMRZXSKV-AJDPLLFCSA-N", "SMILES:CC(CC(=O)CC(CO)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOAFRMHKOSBPID-DZGCQCFKSA-N", "SMILES:Cc1cc2c(c(C)c1CCO)C(=O)[C@](C)(CO)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1076930", "category": ["biolink:ChemicalEntity"], "name": "INARIGIVIR SOPROXIL", "xref": ["InChIKey:CJCYTUJOSMYXLE-JDLSZIHUSA-N", "SMILES:CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O"], "synonym": ["Inarigivir soproxil", "Inarigivir soproxilo", "Inarigivir soproxil", "Sb 9200", "SB 9200", "SB-44", "SB-9200", "Inarigivir soproxil"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1084430", "category": ["biolink:ChemicalEntity"], "name": "INARIGIVIR", "xref": ["InChIKey:LYMICVBGNUEHGE-FUQPUAIBSA-N", "SMILES:CO[C@@H]1[C@H](OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O"], "synonym": ["Inarigivir", "ORI-9020", "SB-40"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKYEOGPKCULOQ-LTONJGMGSA-N", "SMILES:CO[C@@H]1[C@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FESPZFPAJCTMLG-USFRMQJTSA-N", "SMILES:COc1c2c(cc3occ(-c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c13)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250785", "category": ["biolink:ChemicalEntity"], "name": "CINOBUFAGIN", "xref": ["InChIKey:SCULJPGYOQQXTK-OLRINKBESA-N", "SMILES:CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517341", "category": ["biolink:ChemicalEntity"], "name": "CINOBUFOTALIN", "xref": ["InChIKey:KBKUJJFDSHBPPA-ZNCGZLKOSA-N", "SMILES:CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1"], "synonym": ["Cinobufotalin", "Cinobufagin metabolite m-2", "Cinobufotalin", "NSC-90326"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL90568", "category": ["biolink:ChemicalEntity"], "name": "DIOSMETIN", "xref": ["InChIKey:MBNGWHIJMBWFHU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLHQKFBSYAZTLL-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)c(O)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJINMDXOSTAIJ-BPIQYHPVSA-N", "SMILES:CCOc1ccc([C@H](O)c2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526189", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526372", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526373", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525157", "category": ["biolink:ChemicalEntity"], "name": "M68-i"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526374", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526347", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525159", "category": ["biolink:ChemicalEntity"], "name": "M71-i"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVAXLHFIPVIGH-IRXDYDNUSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H](O)CN[C@H]2CCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525147", "category": ["biolink:ChemicalEntity"], "name": "M29"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525154", "category": ["biolink:ChemicalEntity"], "name": "M51"}
{"id": "CHEMBL.COMPOUND:CHEMBL4525155", "category": ["biolink:ChemicalEntity"], "name": "M52"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526360", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526358", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526366", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526345", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526367", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526368", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526881", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525130", "category": ["biolink:ChemicalEntity"], "name": "M10-1,M10-2"}
{"id": "CHEMBL.COMPOUND:CHEMBL3526207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSTXJZUCJIEQDL-VTBFSACKSA-N", "SMILES:CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527174", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526306", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCFTUUJKTGUEQR-UHFFFAOYSA-N", "SMILES:CCN1c2ncc(CCOc3cc(=O)[nH]c4ccccc34)cc2C(=O)N(C)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3527036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXJGZEZCKFQBLU-JFZKSKDQSA-N", "SMILES:CC(C)(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTDLXJRQBALGDK-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(C)c1C(O)CO)C(=O)C(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJSYYPGNUBZDIM-VZLZVWCJSA-N", "SMILES:CC(O)(C(=O)O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFNLYKVTHNLKNZ-AMWBNRJOSA-N", "SMILES:O=C(CCCN1CCC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBSJAOABKSIBV-UHFFFAOYSA-N", "SMILES:O=C1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526598", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526495", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL50995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVFSITVRZYTHO-DQRAZIAOSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1ccc(O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMDSRLIVAHMKJX-RYUDHWBXSA-N", "SMILES:N=C(N)N1CCN([C@H]2C[C@@H](C(=O)N3CCC(F)(F)C3)N(C=O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526351", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCWRNSQTXLIUDT-QERGUTDQSA-N", "SMILES:C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526187", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVAXLHFIPVIGH-DLBZAZTESA-N", "SMILES:COc1cc2c(cc1OC)[C@H](CCc1ccc(C(F)(F)F)cc1)NC[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743350", "category": ["biolink:ChemicalEntity"], "name": "DESMETHYL TAMOXIFEN", "xref": ["InChIKey:MCJKBWHDNUSJLW-VHXPQNKSSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1ccc(OCCN)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3542268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZZYAKRBYRQTG-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"name": "BCR/ABL p210 fusion protein", "id": "UniProtKB:A1Z199", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BCR/ABL p210 fusion protein", "id": "CHEMBL.TARGET:CHEMBL6105", "category": ["biolink:Protein"]}
{"name": "Breakpoint cluster region protein", "xref": ["CHEMBL.TARGET:CHEMBL5146"], "id": "UniProtKB:P11274", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Muscarinic acetylcholine receptor M1/M5 chimeric protein", "id": "CHEMBL.TARGET:CHEMBL2111417", "category": ["biolink:Protein"]}
{"name": "Muscarinic acetylcholine receptor M5", "xref": ["CHEMBL.TARGET:CHEMBL2035"], "id": "UniProtKB:P08912", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleophosmin", "xref": ["CHEMBL.TARGET:CHEMBL5178"], "id": "UniProtKB:P06748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hepatocyte growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL5585"], "id": "UniProtKB:P16056", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "TPR/MET fusion protein", "id": "CHEMBL.TARGET:CHEMBL3038516", "category": ["biolink:Protein"]}
{"name": "Nucleoprotein TPR", "xref": ["CHEMBL.TARGET:CHEMBL2439946"], "id": "UniProtKB:F6ZDS4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "MER intracellular domain/EGFR extracellular domain chimera", "id": "CHEMBL.TARGET:CHEMBL3137284", "category": ["biolink:Protein"]}
{"name": "Proto-oncogene tyrosine-protein kinase receptor Ret /Nuclear receptor coactivator 4 fusion protein", "id": "CHEMBL.TARGET:CHEMBL3430877", "category": ["biolink:Protein"]}
{"name": "Nuclear receptor coactivator 4", "id": "UniProtKB:Q13772", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinesin-1 heavy chain", "xref": ["CHEMBL.TARGET:CHEMBL5864"], "id": "UniProtKB:P33176", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coiled-coil domain-containing protein 6", "id": "UniProtKB:Q16204", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Echinoderm microtubule-associated protein-like 4", "xref": ["CHEMBL.TARGET:CHEMBL1075114"], "id": "UniProtKB:Q9HC35", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tropomyosin alpha-3 chain/High affinity nerve growth factor receptor", "id": "CHEMBL.TARGET:CHEMBL3883331", "category": ["biolink:Protein"]}
{"name": "Tropomyosin alpha-3 chain", "xref": ["CHEMBL.TARGET:CHEMBL3804747"], "id": "UniProtKB:P06753", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Baculoviral IAP repeat-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5335"], "id": "UniProtKB:Q13489", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Baculoviral IAP repeat-containing protein 3/Mucosa-associated lymphoid tissue lymphoma translocation protein 1", "id": "CHEMBL.TARGET:CHEMBL3885522", "category": ["biolink:Protein"]}
{"name": "RNA-binding protein EWS", "xref": ["CHEMBL.TARGET:CHEMBL3351202"], "id": "UniProtKB:Q01844", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Friend leukemia integration 1 transcription factor (Proto-oncogene Fli-1)/RNA-binding protein EWS", "id": "CHEMBL.TARGET:CHEMBL3885568", "category": ["biolink:Protein"]}
{"name": "Friend leukemia integration 1 transcription factor", "xref": ["CHEMBL.TARGET:CHEMBL5465299"], "id": "UniProtKB:Q01543", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TGF-beta-activated kinase 1 and MAP3K7-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5605"], "id": "UniProtKB:Q15750", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear receptor subfamily 2 group C member 2/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1", "id": "CHEMBL.TARGET:CHEMBL3885612", "category": ["biolink:Protein"]}
{"name": "Nuclear receptor subfamily 2 group C member 2", "xref": ["CHEMBL.TARGET:CHEMBL5716"], "id": "UniProtKB:P49116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor ETV6/Tyrosine-protein kinase ABL1", "id": "CHEMBL.TARGET:CHEMBL3885645", "category": ["biolink:Protein"]}
{"name": "Transcription factor ETV6", "xref": ["CHEMBL.TARGET:CHEMBL2401606"], "id": "UniProtKB:P41212", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Centrosomal protein 43/RET", "id": "CHEMBL.TARGET:CHEMBL4523602", "category": ["biolink:Protein"]}
{"name": "Centrosomal protein 43", "id": "UniProtKB:O95684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PDE5A/PDE6C", "id": "CHEMBL.TARGET:CHEMBL4523626", "category": ["biolink:Protein"]}
{"name": "Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'", "xref": ["CHEMBL.TARGET:CHEMBL3977"], "id": "UniProtKB:P51160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase ABL1", "xref": ["CHEMBL.TARGET:CHEMBL3099"], "id": "UniProtKB:P00520", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "BCR/ABL1", "id": "CHEMBL.TARGET:CHEMBL4523652", "category": ["biolink:Protein"]}
{"name": "Breakpoint cluster region protein", "id": "UniProtKB:Q6PAJ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "TEL/AXL", "id": "CHEMBL.TARGET:CHEMBL4523666", "category": ["biolink:Protein"]}
{"name": "TEL/KDR", "id": "CHEMBL.TARGET:CHEMBL4630759", "category": ["biolink:Protein"]}
{"name": "SLC34A2-ROS1", "id": "CHEMBL.TARGET:CHEMBL4680045", "category": ["biolink:Protein"]}
{"name": "Forkhead box protein O1", "xref": ["CHEMBL.TARGET:CHEMBL5294"], "id": "UniProtKB:Q12778", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PAX3/FOXO1", "id": "CHEMBL.TARGET:CHEMBL5169275", "category": ["biolink:Protein"]}
{"name": "Paired box protein Pax-3", "id": "UniProtKB:P23760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proto-oncogene tyrosine-protein kinase receptor Ret", "xref": ["CHEMBL.TARGET:CHEMBL2034799"], "id": "UniProtKB:P35546", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Proto-oncogene tyrosine-protein kinase receptor Ret/Coiled-coil domain-containing protein 6", "id": "CHEMBL.TARGET:CHEMBL5291969", "category": ["biolink:Protein"]}
{"name": "Coiled-coil domain-containing protein 6", "id": "UniProtKB:D3YZP9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Syndecan-4", "id": "UniProtKB:P31431", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PML-RARalpha", "id": "CHEMBL.TARGET:CHEMBL5465238", "category": ["biolink:Protein"]}
{"name": "Protein PML", "xref": ["CHEMBL.TARGET:CHEMBL6067625"], "id": "UniProtKB:P29590", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ALK-TFG", "id": "CHEMBL.TARGET:CHEMBL5465388", "category": ["biolink:Protein"]}
{"name": "Protein TFG", "id": "UniProtKB:Q92734", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ALK-KLC1", "id": "CHEMBL.TARGET:CHEMBL5465389", "category": ["biolink:Protein"]}
{"name": "Kinesin light chain 1", "id": "UniProtKB:Q07866", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ALK-KIF5B", "id": "CHEMBL.TARGET:CHEMBL5465390", "category": ["biolink:Protein"]}
{"name": "ALK-TPM1", "id": "CHEMBL.TARGET:CHEMBL5465391", "category": ["biolink:Protein"]}
{"name": "Tropomyosin alpha-1 chain", "xref": ["CHEMBL.TARGET:CHEMBL4295705"], "id": "UniProtKB:P09493", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ALK-TPM3", "id": "CHEMBL.TARGET:CHEMBL5465392", "category": ["biolink:Protein"]}
{"name": "GPR27-V2", "id": "CHEMBL.TARGET:CHEMBL5482972", "category": ["biolink:Protein"]}
{"name": "Probable G-protein coupled receptor 27", "xref": ["CHEMBL.TARGET:CHEMBL4523923"], "id": "UniProtKB:Q9NS67", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ROS1-GOPC", "id": "CHEMBL.TARGET:CHEMBL5483088", "category": ["biolink:Protein"]}
{"name": "Golgi-associated PDZ and coiled-coil motif-containing protein", "xref": ["CHEMBL.TARGET:CHEMBL1741218"], "id": "UniProtKB:Q9HD26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proto-oncogene tyrosine-protein kinase ROS", "xref": ["CHEMBL.TARGET:CHEMBL2034802"], "id": "UniProtKB:Q78DX7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "H-2 class II histocompatibility antigen gamma chain/Proto-oncogene tyrosine-protein kinase ROS", "id": "CHEMBL.TARGET:CHEMBL6066844", "category": ["biolink:Protein"]}
{"name": "H-2 class II histocompatibility antigen gamma chain", "id": "UniProtKB:P04441", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "ATP synthase F(1) complex subunit epsilon, mitochondrial", "id": "UniProtKB:P05632", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL612444", "category": ["biolink:MacromolecularComplex"], "name": "Mitochondrial complex V; ATP synthase"}
{"name": "ATP synthase subunit beta, mitochondrial", "synonym": ["ATP synthase F(1) complex catalytic subunit beta, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL4879425"], "id": "UniProtKB:P00829", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "ATP synthase F(1) complex subunit gamma, mitochondrial", "id": "UniProtKB:P05631", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "ATP synthase F(1) complex subunit delta, mitochondrial", "id": "UniProtKB:P05630", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase", "xref": ["CHEMBL.TARGET:CHEMBL4931"], "id": "UniProtKB:Q15125", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL612409", "category": ["biolink:MacromolecularComplex"], "name": "Anti-estrogen binding site (AEBS)"}
{"name": "7-dehydrocholesterol reductase", "xref": ["CHEMBL.TARGET:CHEMBL2169735"], "id": "UniProtKB:Q9UBM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066582"], "id": "UniProtKB:P25708", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL614865", "category": ["biolink:MacromolecularComplex"], "name": "Mitochondrial complex I; NADH oxidoreductase"}
{"name": "Acyl carrier protein, mitochondrial", "id": "UniProtKB:P52505", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Mitochondrial succinate dehydrogenase subunit C", "id": "UniProtKB:G4XX53", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1047171"]}
{"id": "CHEMBL.TARGET:CHEMBL613815", "category": ["biolink:MacromolecularComplex"], "name": "Mitochondrial complex II; succinate dehydrogenase"}
{"name": "Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial", "id": "UniProtKB:O42772", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1047171"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-3", "id": "UniProtKB:P04757", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL1907587", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha3/beta2"}
{"name": "Neuronal acetylcholine receptor subunit beta-2", "xref": ["CHEMBL.TARGET:CHEMBL3001"], "id": "UniProtKB:P12390", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Acetylcholine receptor subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4808"], "id": "UniProtKB:P02708", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL1907588", "category": ["biolink:MacromolecularComplex"], "name": "Acetylcholine receptor; alpha1/beta1/delta/gamma"}
{"name": "Acetylcholine receptor subunit gamma", "id": "UniProtKB:P07510", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acetylcholine receptor subunit beta", "id": "UniProtKB:P11230", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acetylcholine receptor subunit delta", "xref": ["CHEMBL.TARGET:CHEMBL3011"], "id": "UniProtKB:Q07001", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuronal acetylcholine receptor subunit beta-2", "xref": ["CHEMBL.TARGET:CHEMBL1883"], "id": "UniProtKB:P17787", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-4", "xref": ["CHEMBL.TARGET:CHEMBL1882"], "id": "UniProtKB:P43681", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL2584"], "id": "UniProtKB:P12389", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL1907590", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha2/beta4"}
{"name": "Neuronal acetylcholine receptor subunit beta-4", "xref": ["CHEMBL.TARGET:CHEMBL2658"], "id": "UniProtKB:P12392", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Neuronal acetylcholine receptor subunit beta-4", "id": "UniProtKB:P30926", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL1907591", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha4/beta4"}
{"id": "CHEMBL.TARGET:CHEMBL1907592", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha2/beta2"}
{"id": "CHEMBL.TARGET:CHEMBL1907593", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha3/beta4"}
{"name": "Neuronal acetylcholine receptor subunit alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL3068"], "id": "UniProtKB:P32297", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-4", "xref": ["CHEMBL.TARGET:CHEMBL307"], "id": "UniProtKB:P09483", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL1907595", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha4/beta4"}
{"id": "CHEMBL.TARGET:CHEMBL1907596", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha4/beta2"}
{"id": "CHEMBL.TARGET:CHEMBL1907597", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; GABA-A site (alpha1/beta2 interface)"}
{"name": "Gamma-aminobutyric acid receptor subunit beta-2", "xref": ["CHEMBL.TARGET:CHEMBL1920"], "id": "UniProtKB:P47870", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Integrin beta-3", "xref": ["CHEMBL.TARGET:CHEMBL207"], "id": "UniProtKB:P05106", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Integrin beta-1", "xref": ["CHEMBL.TARGET:CHEMBL1905"], "id": "UniProtKB:P05556", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL1907600", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 5/CDK5 activator 1"}
{"name": "Cyclin-dependent kinase 5 activator 1", "xref": ["CHEMBL.TARGET:CHEMBL2783"], "id": "UniProtKB:Q15078", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL1907602", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 1/cyclin B1"}
{"name": "G2/mitotic-specific cyclin-B1", "xref": ["CHEMBL.TARGET:CHEMBL2412"], "id": "UniProtKB:P14635", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutamate receptor ionotropic, NMDA 1", "xref": ["CHEMBL.TARGET:CHEMBL2015"], "id": "UniProtKB:Q05586", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutamate receptor ionotropic, NMDA 2B", "xref": ["CHEMBL.TARGET:CHEMBL1904"], "id": "UniProtKB:Q13224", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL1907604", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate NMDA receptor; GRIN1/GRIN2A"}
{"name": "G1/S-specific cyclin-E1", "xref": ["CHEMBL.TARGET:CHEMBL3617"], "id": "UniProtKB:P24864", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL1907605", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 2/cyclin E1"}
{"name": "Integrin alpha-IIb", "xref": ["CHEMBL.TARGET:CHEMBL212"], "id": "UniProtKB:P08514", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL271"], "id": "UniProtKB:P49354", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein farnesyltransferase subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL272"], "id": "UniProtKB:P49356", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5-hydroxytryptamine receptor 3A", "xref": ["CHEMBL.TARGET:CHEMBL2411"], "id": "UniProtKB:P35563", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094116", "category": ["biolink:MacromolecularComplex"], "name": "Serotonin 3 (5-HT3) receptor"}
{"name": "5-hydroxytryptamine receptor 3B", "id": "UniProtKB:Q9JJ16", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-2", "id": "UniProtKB:P18507", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2094120", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; alpha-3/beta-3/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL2094121", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; alpha-1/beta-3/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL2094122", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; alpha-5/beta-3/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-5", "xref": ["CHEMBL.TARGET:CHEMBL5112"], "id": "UniProtKB:P31644", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2094126", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 2/cyclin E"}
{"name": "G1/S-specific cyclin-E2", "id": "UniProtKB:O96020", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2094127", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 1/cyclin B"}
{"name": "G2/mitotic-specific cyclin-B3", "id": "UniProtKB:Q8WWL7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "G2/mitotic-specific cyclin B2", "synonym": ["G2/mitotic-specific cyclin-B2"], "xref": ["CHEMBL.TARGET:CHEMBL3723"], "id": "UniProtKB:O95067", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2094128", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 2/cyclin A"}
{"name": "Cyclin-A2", "xref": ["CHEMBL.TARGET:CHEMBL2582"], "id": "UniProtKB:P20248", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-A1", "id": "UniProtKB:P78396", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2094130", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; alpha-2/beta-3/gamma-2"}
{"name": "Gamma-secretase subunit APH-1A", "id": "UniProtKB:Q96BI3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-secretase subunit PEN-2", "xref": ["CHEMBL.TARGET:CHEMBL2374"], "id": "UniProtKB:Q9NZ42", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-secretase subunit APH-1B", "id": "UniProtKB:Q8WW43", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Presenilin-1", "xref": ["CHEMBL.TARGET:CHEMBL2473"], "id": "UniProtKB:P49768", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nicastrin", "xref": ["CHEMBL.TARGET:CHEMBL3418"], "id": "UniProtKB:Q92542", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Presenilin-2", "xref": ["CHEMBL.TARGET:CHEMBL3708"], "id": "UniProtKB:P49810", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA gyrase subunit B", "xref": ["CHEMBL.TARGET:CHEMBL1826"], "id": "UniProtKB:P0AES6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.TARGET:CHEMBL2094139", "category": ["biolink:MacromolecularComplex"], "name": "DNA gyrase"}
{"name": "DNA gyrase subunit A", "xref": ["CHEMBL.TARGET:CHEMBL1858"], "id": "UniProtKB:P0AES4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.TARGET:CHEMBL2095164", "category": ["biolink:MacromolecularComplex"], "name": "Geranylgeranyl transferase type I"}
{"name": "Geranylgeranyl transferase type-1 subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4135"], "id": "UniProtKB:P53609", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-2", "id": "UniProtKB:P18508", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095167", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; alpha-1/beta-2/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL343"], "id": "UniProtKB:P62813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta-2", "id": "UniProtKB:P63138", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Hemoglobin subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL2887"], "id": "UniProtKB:P69905", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095172", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; alpha-1/beta-2/gamma-2"}
{"name": "Potassium-transporting ATPase alpha chain 1", "id": "UniProtKB:P20648", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium-transporting ATPase subunit beta", "id": "UniProtKB:P51164", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SUMO-activating enzyme subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL1615388"], "id": "UniProtKB:Q9UBE0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095174", "category": ["biolink:MacromolecularComplex"], "name": "SUMO-activating enzyme"}
{"name": "SUMO-activating enzyme subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL1615389"], "id": "UniProtKB:Q9UBT2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha", "id": "UniProtKB:P29702", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2095178", "category": ["biolink:MacromolecularComplex"], "name": "Protein farnesyltransferase"}
{"name": "Protein farnesyltransferase subunit beta", "id": "UniProtKB:P49355", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Shiga toxin subunit B", "id": "UniProtKB:Q7WZI6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83334"]}
{"id": "CHEMBL.TARGET:CHEMBL2095183", "category": ["biolink:MacromolecularComplex"], "name": "Shiga toxin"}
{"name": "Shiga toxin 1 variant A subunit", "synonym": ["rRNA N-glycosylase"], "xref": ["CHEMBL.TARGET:CHEMBL1615343"], "id": "UniProtKB:Q7WZI7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83334"]}
{"id": "CHEMBL.TARGET:CHEMBL2095190", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; alpha-6/beta-3/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-6", "xref": ["CHEMBL.TARGET:CHEMBL2579"], "id": "UniProtKB:Q16445", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095194", "category": ["biolink:MacromolecularComplex"], "name": "Coagulation factor VII/tissue factor"}
{"name": "Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha", "id": "UniProtKB:Q04631", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095197", "category": ["biolink:MacromolecularComplex"], "name": "Protein farnesyltransferase"}
{"name": "Protein farnesyltransferase subunit beta", "id": "UniProtKB:Q02293", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "ATP-binding cassette sub-family C member 9", "xref": ["CHEMBL.TARGET:CHEMBL1971"], "id": "UniProtKB:O60706", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium-transporting ATPase alpha chain 1", "id": "UniProtKB:P09626", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095199", "category": ["biolink:MacromolecularComplex"], "name": "Potassium-transporting ATPase"}
{"name": "Potassium-transporting ATPase subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4771"], "id": "UniProtKB:P18598", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Troponin C, slow skeletal and cardiac muscles", "xref": ["CHEMBL.TARGET:CHEMBL2066"], "id": "UniProtKB:P63316", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Troponin I, cardiac muscle", "id": "UniProtKB:P19429", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Troponin T, cardiac muscle", "id": "UniProtKB:P45379", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium-transporting ATPase subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL2538"], "id": "UniProtKB:P18434", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.TARGET:CHEMBL2095228", "category": ["biolink:MacromolecularComplex"], "name": "Potassium-transporting ATPase"}
{"name": "Potassium-transporting ATPase alpha chain 1", "xref": ["CHEMBL.TARGET:CHEMBL3919"], "id": "UniProtKB:P19156", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Hepatitis C virus NS4A protein", "synonym": ["Non-structural protein 4A"], "xref": ["CHEMBL.TARGET:CHEMBL2364"], "id": "UniProtKB:D2K2A8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3052230"]}
{"name": "Genome polyprotein", "id": "UniProtKB:A3EZI9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3052230"]}
{"name": "RecBCD enzyme subunit RecD", "id": "UniProtKB:P04993", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.TARGET:CHEMBL2095232", "category": ["biolink:MacromolecularComplex"], "name": "Exodeoxyribonuclease V"}
{"name": "RecBCD enzyme subunit RecC", "id": "UniProtKB:P07648", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "RecBCD enzyme subunit RecB", "id": "UniProtKB:P08394", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.TARGET:CHEMBL2096661", "category": ["biolink:MacromolecularComplex"], "name": "Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2"}
{"name": "Glutamate receptor ionotropic, NMDA 1", "xref": ["CHEMBL.TARGET:CHEMBL330"], "id": "UniProtKB:P35439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096666", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate NMDA receptor; Grin1/Grin2b"}
{"name": "Glutamate receptor ionotropic, NMDA 2B", "xref": ["CHEMBL.TARGET:CHEMBL311"], "id": "UniProtKB:Q00960", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Integrin beta-5", "xref": ["CHEMBL.TARGET:CHEMBL2600"], "id": "UniProtKB:P18084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2096680", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate NMDA receptor; Grin1/Grin2a"}
{"name": "Glutamate receptor ionotropic, NMDA 2A", "xref": ["CHEMBL.TARGET:CHEMBL310"], "id": "UniProtKB:Q00959", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096911", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate NMDA receptor; Grin1/Grin2c"}
{"name": "Glutamate receptor ionotropic, NMDA 2C", "xref": ["CHEMBL.TARGET:CHEMBL401"], "id": "UniProtKB:Q00961", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha", "id": "UniProtKB:Q61239", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2096912", "category": ["biolink:MacromolecularComplex"], "name": "Protein farnesyltransferase"}
{"name": "Protein farnesyltransferase subunit beta", "id": "UniProtKB:Q8K2I1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "ATP-binding cassette sub-family C member 8", "xref": ["CHEMBL.TARGET:CHEMBL2071"], "id": "UniProtKB:Q09428", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acetylcholine receptor subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3097"], "id": "UniProtKB:P02710", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7787"]}
{"id": "CHEMBL.TARGET:CHEMBL2096975", "category": ["biolink:MacromolecularComplex"], "name": "Acetylcholine receptor"}
{"name": "Acetylcholine receptor subunit beta", "id": "UniProtKB:P02712", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7787"]}
{"name": "Acetylcholine receptor subunit delta", "xref": ["CHEMBL.TARGET:CHEMBL3916"], "id": "UniProtKB:P02718", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7787"]}
{"name": "Acetylcholine receptor subunit gamma", "id": "UniProtKB:P02714", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7787"]}
{"name": "Platelet-derived growth factor receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL2749"], "id": "UniProtKB:P05622", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2096980", "category": ["biolink:MacromolecularComplex"], "name": "Platelet-derived growth factor receptor"}
{"name": "Platelet-derived growth factor receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL3466"], "id": "UniProtKB:P26618", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2096987", "category": ["biolink:MacromolecularComplex"], "name": "Geranylgeranyl transferase type I"}
{"name": "Geranylgeranyl transferase type-1 subunit beta", "id": "UniProtKB:Q5EAD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Amiloride-sensitive sodium channel subunit alpha", "synonym": ["Epithelial sodium channel subunit alpha"], "xref": ["CHEMBL.TARGET:CHEMBL1791"], "id": "UniProtKB:P37088", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Amiloride-sensitive sodium channel subunit beta", "synonym": ["Epithelial sodium channel subunit beta"], "xref": ["CHEMBL.TARGET:CHEMBL1628483"], "id": "UniProtKB:P51168", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Amiloride-sensitive sodium channel subunit gamma", "synonym": ["Epithelial sodium channel subunit gamma"], "xref": ["CHEMBL.TARGET:CHEMBL1628484"], "id": "UniProtKB:P51170", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Receptor activity-modifying protein 1", "id": "UniProtKB:O60894", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2109230", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha2/beta4"}
{"name": "Neuronal acetylcholine receptor subunit alpha-2", "id": "UniProtKB:Q15822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Receptor activity-modifying protein 2", "id": "UniProtKB:O60895", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2109232", "category": ["biolink:MacromolecularComplex"], "name": "Adrenomedullin receptor AM1; CALCRL/RAMP2"}
{"id": "CHEMBL.TARGET:CHEMBL2109233", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3"}
{"name": "Neuronal acetylcholine receptor subunit alpha-6", "id": "UniProtKB:Q15825", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuronal acetylcholine receptor subunit beta-3", "id": "UniProtKB:Q05901", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2109234", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha3/beta2"}
{"name": "Calcitonin receptor", "xref": ["CHEMBL.TARGET:CHEMBL2204"], "id": "UniProtKB:P32214", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2109235", "category": ["biolink:MacromolecularComplex"], "name": "Amylin receptor AMY3; CALCR/RAMP3"}
{"name": "Receptor activity-modifying protein 3", "id": "UniProtKB:Q9JJ73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2109236", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor; alpha2/beta2"}
{"name": "Neuronal acetylcholine receptor subunit alpha-9", "xref": ["CHEMBL.TARGET:CHEMBL2184"], "id": "UniProtKB:Q9UGM1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuronal acetylcholine receptor protein alpha-10 subunit", "synonym": ["Neuronal acetylcholine receptor subunit alpha-10"], "xref": ["CHEMBL.TARGET:CHEMBL2551"], "id": "UniProtKB:Q9GZZ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcitonin gene-related peptide type 1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL4755"], "id": "UniProtKB:Q63118", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2109240", "category": ["biolink:MacromolecularComplex"], "name": "Calcitonin-gene-related peptide receptor; CALCRL/RAMP1"}
{"name": "Receptor activity-modifying protein 1", "id": "UniProtKB:Q9JJ74", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Receptor activity-modifying protein 3", "id": "UniProtKB:O60896", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111191", "category": ["biolink:MacromolecularComplex"], "name": "Adrenomedullin receptor, AM2; CALCRL/RAMP3"}
{"name": "Cyclin-H", "xref": ["CHEMBL.TARGET:CHEMBL2165"], "id": "UniProtKB:P51946", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111288", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 7/ cyclin H"}
{"name": "Cyclin-dependent protein kinase PHO85", "xref": ["CHEMBL.TARGET:CHEMBL5589"], "id": "UniProtKB:P17157", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.TARGET:CHEMBL2111410", "category": ["biolink:MacromolecularComplex"], "name": "Pho80/Pho85/Pho81 complex"}
{"name": "Phosphate system positive regulatory protein PHO81", "xref": ["CHEMBL.TARGET:CHEMBL1250353"], "id": "UniProtKB:P17442", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"name": "PHO85 cyclin PHO80", "id": "UniProtKB:P20052", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.TARGET:CHEMBL2111413", "category": ["biolink:MacromolecularComplex"], "name": "GABA A receptor alpha-2/beta-2/gamma-2"}
{"name": "Transcription factor Jun", "xref": ["CHEMBL.TARGET:CHEMBL4977"], "id": "UniProtKB:P05412", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111421", "category": ["biolink:MacromolecularComplex"], "name": "Transcription factor AP1"}
{"name": "Protein c-Fos", "xref": ["CHEMBL.TARGET:CHEMBL5029"], "id": "UniProtKB:P01100", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol 3-kinase regulatory subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL2506"], "id": "UniProtKB:P27986", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111432", "category": ["biolink:MacromolecularComplex"], "name": "PI3-kinase p110-delta/p85-alpha"}
{"name": "G1/S-specific cyclin-D3", "xref": ["CHEMBL.TARGET:CHEMBL2422"], "id": "UniProtKB:P30281", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111448", "category": ["biolink:MacromolecularComplex"], "name": "CDK6/cyclin D3"}
{"id": "CHEMBL.TARGET:CHEMBL2111449", "category": ["biolink:MacromolecularComplex"], "name": "Coagulation factor X/antithrombin III"}
{"id": "CHEMBL.TARGET:CHEMBL2111461", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-2/beta-3"}
{"name": "Thyroid hormone receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL1860"], "id": "UniProtKB:P10827", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta chain", "synonym": ["Tubulin beta-2B chain"], "xref": ["CHEMBL.TARGET:CHEMBL3394"], "id": "UniProtKB:Q6B856", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2111464", "category": ["biolink:MacromolecularComplex"], "name": "Tubulin"}
{"name": "Similar to alpha-tubulin isoform 1", "id": "UniProtKB:Q862F3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Gamma-aminobutyric acid type B receptor subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL2753"], "id": "UniProtKB:Q9Z0U4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111474", "category": ["biolink:MacromolecularComplex"], "name": "GABA B receptor"}
{"name": "Gamma-aminobutyric acid type B receptor subunit 2", "id": "UniProtKB:O88871", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Geranylgeranyl transferase type-1 subunit beta", "id": "UniProtKB:P53610", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111479", "category": ["biolink:MacromolecularComplex"], "name": "geranylgeranyltransferase type-I"}
{"name": "Integrin alpha-4", "id": "UniProtKB:Q00651", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111481", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-4/beta-7"}
{"name": "Integrin beta-7", "id": "UniProtKB:P26011", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111327", "category": ["biolink:MacromolecularComplex"], "name": "GABA A receptor alpha-2/beta-2/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL341"], "id": "UniProtKB:P23576", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111328", "category": ["biolink:MacromolecularComplex"], "name": "Inhibitor of NF-kappa-B kinase (IKK)"}
{"name": "Inhibitor of nuclear factor kappa-B kinase subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3476"], "id": "UniProtKB:O15111", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NF-kappa-B essential modulator", "xref": ["CHEMBL.TARGET:CHEMBL4967"], "id": "UniProtKB:Q9Y6K9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal protein S6 kinase beta-2", "xref": ["CHEMBL.TARGET:CHEMBL3111"], "id": "UniProtKB:Q9UBS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5-hydroxytryptamine receptor 3B", "xref": ["CHEMBL.TARGET:CHEMBL3895"], "id": "UniProtKB:O95264", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111339", "category": ["biolink:MacromolecularComplex"], "name": "GABA A receptor alpha-3/beta-2/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL2111343", "category": ["biolink:MacromolecularComplex"], "name": "GABA A receptor alpha-3/beta-2/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL328"], "id": "UniProtKB:P20236", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5'-AMP-activated protein kinase subunit gamma-1", "xref": ["CHEMBL.TARGET:CHEMBL2393"], "id": "UniProtKB:P54619", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111345", "category": ["biolink:MacromolecularComplex"], "name": "AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1"}
{"name": "5'-AMP-activated protein kinase subunit beta-1", "xref": ["CHEMBL.TARGET:CHEMBL3847"], "id": "UniProtKB:Q9Y478", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5'-AMP-activated protein kinase catalytic subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4045"], "id": "UniProtKB:Q13131", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111367", "category": ["biolink:MacromolecularComplex"], "name": "PI3-kinase p110-alpha/p85-alpha"}
{"id": "CHEMBL.TARGET:CHEMBL2111370", "category": ["biolink:MacromolecularComplex"], "name": "GABA A receptor alpha-6/beta-2/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL2111374", "category": ["biolink:MacromolecularComplex"], "name": "GABA A receptor alpha-5/beta-3/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-5", "xref": ["CHEMBL.TARGET:CHEMBL300"], "id": "UniProtKB:P19969", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta-3", "id": "UniProtKB:P63079", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Protein DBF4 homolog A", "xref": ["CHEMBL.TARGET:CHEMBL4483"], "id": "UniProtKB:Q9UBU7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111377", "category": ["biolink:MacromolecularComplex"], "name": "CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)"}
{"name": "Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha", "id": "UniProtKB:Q5EI73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.TARGET:CHEMBL2111381", "category": ["biolink:MacromolecularComplex"], "name": "Protein farnesyltransferase (PFT)"}
{"name": "Protein farnesyltransferase subunit beta", "id": "UniProtKB:Q5EI74", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"name": "Cyclin-T1", "xref": ["CHEMBL.TARGET:CHEMBL2108"], "id": "UniProtKB:O60563", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111389", "category": ["biolink:MacromolecularComplex"], "name": "CDK9/cyclin T1"}
{"name": "Gamma-aminobutyric acid receptor subunit beta-1", "xref": ["CHEMBL.TARGET:CHEMBL4558"], "id": "UniProtKB:P18505", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL2406"], "id": "UniProtKB:P29703", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.TARGET:CHEMBL2111393", "category": ["biolink:MacromolecularComplex"], "name": "Farnesyltransferase"}
{"name": "Protein farnesyltransferase subunit beta", "id": "UniProtKB:P22007", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.TARGET:CHEMBL2111394", "category": ["biolink:MacromolecularComplex"], "name": "RXR alpha/PPAR gamma"}
{"id": "CHEMBL.TARGET:CHEMBL2111402", "category": ["biolink:MacromolecularComplex"], "name": "5-lipoxygenase/FLAP"}
{"id": "CHEMBL.TARGET:CHEMBL2111355", "category": ["biolink:MacromolecularComplex"], "name": "Pho80/Pho85"}
{"name": "Calpain small subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL4962"], "id": "UniProtKB:P04632", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111357", "category": ["biolink:MacromolecularComplex"], "name": "Calpain 1"}
{"name": "Calpain-1 catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL3891"], "id": "UniProtKB:P07384", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Integrin alpha-M", "xref": ["CHEMBL.TARGET:CHEMBL3826"], "id": "UniProtKB:P11215", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111363", "category": ["biolink:MacromolecularComplex"], "name": "Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)"}
{"name": "Nuclear receptor corepressor 2", "xref": ["CHEMBL.TARGET:CHEMBL5949"], "id": "UniProtKB:Q9Y618", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium-activated potassium channel subunit alpha-1", "id": "UniProtKB:Q28204", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2111364", "category": ["biolink:MacromolecularComplex"], "name": "Large conductance calcium-activated potassium channel"}
{"name": "Calcium-activated potassium channel subunit beta-1", "id": "UniProtKB:Q28067", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2111365", "category": ["biolink:MacromolecularComplex"], "name": "GABA A receptor alpha-6/beta-2/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-6", "xref": ["CHEMBL.TARGET:CHEMBL293"], "id": "UniProtKB:P30191", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111366", "category": ["biolink:MacromolecularComplex"], "name": "GABA A receptor alpha-4/beta-3/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-4", "xref": ["CHEMBL.TARGET:CHEMBL2472"], "id": "UniProtKB:P48169", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2221341", "category": ["biolink:MacromolecularComplex"], "name": "FKBP12A/mTOR"}
{"name": "Cellular retinoic acid-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2692"], "id": "UniProtKB:P29373", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2221342", "category": ["biolink:MacromolecularComplex"], "name": "Complex of retinoic acid binding (CRABPII) and inhibitor of apoptosis (cIAP1) proteins"}
{"name": "Baculoviral IAP repeat-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5462"], "id": "UniProtKB:Q13490", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily KQT member 1", "xref": ["CHEMBL.TARGET:CHEMBL1866"], "id": "UniProtKB:P51787", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2221347", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK)"}
{"name": "Potassium voltage-gated channel subfamily E member 1", "xref": ["CHEMBL.TARGET:CHEMBL4872"], "id": "UniProtKB:P15382", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily KQT member 3", "xref": ["CHEMBL.TARGET:CHEMBL2684"], "id": "UniProtKB:O43525", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA gyrase subunit B", "xref": ["CHEMBL.TARGET:CHEMBL1075021"], "id": "UniProtKB:P0A4L9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:170187"]}
{"name": "DNA gyrase subunit A", "id": "UniProtKB:P72524", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:170187"]}
{"name": "DNA gyrase subunit A", "id": "UniProtKB:P48371", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:485"]}
{"name": "Antibiotic resistant DNA gyrase subunit B", "id": "UniProtKB:P22118", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:485"]}
{"name": "DNA gyrase subunit B", "id": "UniProtKB:Q5HK03", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:176279"]}
{"name": "DNA gyrase subunit A", "id": "UniProtKB:Q5HK04", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:176279"]}
{"name": "DNA topoisomerase 4 subunit A", "id": "UniProtKB:P72525", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:170187"]}
{"name": "DNA topoisomerase 4 subunit B", "id": "UniProtKB:Q59961", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:170187"]}
{"name": "Glycine receptor subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL5845"], "id": "UniProtKB:P23415", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glycine receptor subunit beta", "id": "UniProtKB:P48167", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase chain 6", "id": "UniProtKB:P03923", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase 42 kDa subunit", "synonym": ["NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL2089"], "id": "UniProtKB:O95299", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial", "id": "UniProtKB:O00217", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase chain 4L", "id": "UniProtKB:P03901", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6", "id": "UniProtKB:P56556", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase chain 1", "xref": ["CHEMBL.TARGET:CHEMBL2111"], "id": "UniProtKB:P03886", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase B17 subunit", "synonym": ["NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6"], "xref": ["CHEMBL.TARGET:CHEMBL2192"], "id": "UniProtKB:O95139", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c oxidase subunit NDUFA4", "xref": ["CHEMBL.TARGET:CHEMBL2317"], "id": "UniProtKB:O00483", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11", "id": "UniProtKB:Q86Y39", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase B18 subunit", "synonym": ["NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7"], "xref": ["CHEMBL.TARGET:CHEMBL2357"], "id": "UniProtKB:P17568", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase chain 2", "id": "UniProtKB:P03891", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3039"], "id": "UniProtKB:O75306", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase chain 5", "id": "UniProtKB:P03915", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8", "id": "UniProtKB:P51970", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase SGDH subunit", "synonym": ["NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL4337"], "id": "UniProtKB:O43674", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase chain 4", "xref": ["CHEMBL.TARGET:CHEMBL4499"], "id": "UniProtKB:P03905", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase chain 3", "id": "UniProtKB:P03897", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acyl carrier protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067057"], "id": "UniProtKB:O14561", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1", "id": "UniProtKB:O15239", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial", "id": "UniProtKB:O43181", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3", "id": "UniProtKB:O43676", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 subunit C1, mitochondrial", "id": "UniProtKB:O43677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2", "id": "UniProtKB:O43678", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] iron-sulfur protein 5", "id": "UniProtKB:O43920", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067015"], "id": "UniProtKB:O75251", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067012"], "id": "UniProtKB:O75380", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1", "id": "UniProtKB:O75438", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067008"], "id": "UniProtKB:O75489", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3", "id": "UniProtKB:O95167", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4", "id": "UniProtKB:O95168", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066993"], "id": "UniProtKB:O95169", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 2, mitochondrial", "id": "UniProtKB:O95178", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7", "id": "UniProtKB:O95182", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 subunit C2", "id": "UniProtKB:O95298", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10", "xref": ["CHEMBL.TARGET:CHEMBL6066985"], "id": "UniProtKB:O96000", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066946"], "id": "UniProtKB:P19404", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066925"], "id": "UniProtKB:P28331", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066881"], "id": "UniProtKB:P49821", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] flavoprotein 3, mitochondrial", "id": "UniProtKB:P56181", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL6067539"], "id": "UniProtKB:Q16718", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial", "id": "UniProtKB:Q16795", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2", "xref": ["CHEMBL.TARGET:CHEMBL6067536"], "id": "UniProtKB:Q8N183", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 3", "id": "UniProtKB:Q9BU61", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2", "id": "UniProtKB:Q9NRX3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial", "id": "UniProtKB:Q9NX14", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 4", "xref": ["CHEMBL.TARGET:CHEMBL6067528"], "id": "UniProtKB:Q9P032", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13", "xref": ["CHEMBL.TARGET:CHEMBL4105781"], "id": "UniProtKB:Q9P0J0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12", "id": "UniProtKB:Q9UI09", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Complex I intermediate-associated protein 30, mitochondrial", "id": "UniProtKB:Q9Y375", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9", "xref": ["CHEMBL.TARGET:CHEMBL6067526"], "id": "UniProtKB:Q9Y6M9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Retinoic acid receptor RXR-gamma", "xref": ["CHEMBL.TARGET:CHEMBL2004"], "id": "UniProtKB:P48443", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2363072", "category": ["biolink:MacromolecularComplex"], "name": "Retinoid X receptor gamma/retinoic acid receptor alpha"}
{"name": "DNA topoisomerase 4 subunit A", "xref": ["CHEMBL.TARGET:CHEMBL1895"], "id": "UniProtKB:P0AFI2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "DNA topoisomerase 4 subunit B", "xref": ["CHEMBL.TARGET:CHEMBL3329081"], "id": "UniProtKB:P20083", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "DNA topoisomerase 4 subunit A", "id": "UniProtKB:P48374", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:485"]}
{"name": "DNA topoisomerase", "id": "UniProtKB:Q5EP76", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:485"]}
{"name": "DNA-directed RNA polymerase subunit alpha", "id": "UniProtKB:Q18CI5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272563"]}
{"name": "DNA-directed RNA polymerase subunit beta", "id": "UniProtKB:Q18CF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272563"]}
{"name": "DNA-directed RNA polymerase subunit beta'", "id": "UniProtKB:Q18CF3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272563"]}
{"name": "DNA-directed RNA polymerase subunit omega", "id": "UniProtKB:Q182S6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272563"]}
{"name": "Interleukin-12 subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL3580484"], "id": "UniProtKB:P29460", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-12 subunit alpha", "id": "UniProtKB:P29459", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-23 subunit alpha", "id": "UniProtKB:Q9NPF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase gamma chain", "id": "UniProtKB:P9WPU9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "ATP synthase subunit beta", "id": "UniProtKB:P9WPU5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "ATP synthase subunit alpha", "id": "UniProtKB:P9WPU7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "ATP synthase subunit b", "id": "UniProtKB:P9WPV5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "ATP synthase subunit c", "id": "UniProtKB:P9WPS1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "ATP synthase epsilon chain", "id": "UniProtKB:P9WPV1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "ATP synthase subunit a", "id": "UniProtKB:P9WPV7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "ATP synthase subunit b-delta", "id": "UniProtKB:P9WPV3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Cytokine receptor common subunit gamma", "id": "UniProtKB:P31785", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T-cell surface glycoprotein CD3 gamma chain", "id": "UniProtKB:P09693", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T-cell surface glycoprotein CD3 delta chain", "id": "UniProtKB:P04234", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Granulocyte-macrophage colony-stimulating factor receptor subunit alpha", "id": "UniProtKB:P15509", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytokine receptor common subunit beta", "id": "UniProtKB:P32927", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon alpha/beta receptor 2", "id": "UniProtKB:P48551", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon gamma receptor 2", "id": "UniProtKB:P38484", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon gamma receptor 1", "id": "UniProtKB:P15260", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA-directed RNA polymerase subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL1852"], "id": "UniProtKB:P0A8V2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "DNA-directed RNA polymerase subunit alpha", "id": "UniProtKB:P0A7Z4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "DNA-directed RNA polymerase subunit beta'", "id": "UniProtKB:P0A8T7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "DNA-directed RNA polymerase subunit omega", "id": "UniProtKB:P0A800", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Microsomal triglyceride transfer protein large subunit", "xref": ["CHEMBL.TARGET:CHEMBL2569"], "id": "UniProtKB:P55157", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein disulfide-isomerase", "xref": ["CHEMBL.TARGET:CHEMBL5422"], "id": "UniProtKB:P07237", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Urease subunit gamma", "id": "UniProtKB:Q03282", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"name": "Urease subunit beta", "id": "UniProtKB:Q03283", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"name": "Urease subunit alpha", "id": "UniProtKB:Q03284", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"name": "26S proteasome regulatory subunit S1", "synonym": ["26S proteasome non-ATPase regulatory subunit 1"], "xref": ["CHEMBL.TARGET:CHEMBL1934"], "id": "UniProtKB:Q99460", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome Macropain subunit", "synonym": ["Proteasome subunit beta type-2"], "xref": ["CHEMBL.TARGET:CHEMBL3492"], "id": "UniProtKB:P49721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome component C5", "synonym": ["Proteasome subunit beta type-1"], "xref": ["CHEMBL.TARGET:CHEMBL4208"], "id": "UniProtKB:P20618", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome Macropain subunit MB1", "synonym": ["Proteasome subunit beta type-5"], "xref": ["CHEMBL.TARGET:CHEMBL4662"], "id": "UniProtKB:P28074", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit beta type-8", "xref": ["CHEMBL.TARGET:CHEMBL5620"], "id": "UniProtKB:P28062", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit beta type-9", "xref": ["CHEMBL.TARGET:CHEMBL1944495"], "id": "UniProtKB:P28065", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit beta type-6", "xref": ["CHEMBL.TARGET:CHEMBL1944496"], "id": "UniProtKB:P28072", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 14", "xref": ["CHEMBL.TARGET:CHEMBL2007629"], "id": "UniProtKB:O00487", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit alpha type-1", "xref": ["CHEMBL.TARGET:CHEMBL4879432"], "id": "UniProtKB:P25786", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit alpha type-2", "xref": ["CHEMBL.TARGET:CHEMBL6066935"], "id": "UniProtKB:P25787", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit alpha type-3", "xref": ["CHEMBL.TARGET:CHEMBL6066934"], "id": "UniProtKB:P25788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit alpha type-4", "xref": ["CHEMBL.TARGET:CHEMBL6066933"], "id": "UniProtKB:P25789", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit alpha type-5", "xref": ["CHEMBL.TARGET:CHEMBL6066927"], "id": "UniProtKB:P28066", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit alpha type-6", "xref": ["CHEMBL.TARGET:CHEMBL6067562"], "id": "UniProtKB:P60900", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit alpha type-7", "xref": ["CHEMBL.TARGET:CHEMBL6067051"], "id": "UniProtKB:O14818", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit alpha-type 8", "id": "UniProtKB:Q8TAA3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit beta type-10", "xref": ["CHEMBL.TARGET:CHEMBL3317334"], "id": "UniProtKB:P40306", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit beta type-11", "id": "UniProtKB:A5LHX3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit beta type-3", "xref": ["CHEMBL.TARGET:CHEMBL3308923"], "id": "UniProtKB:P49720", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit beta type-4", "xref": ["CHEMBL.TARGET:CHEMBL4879435"], "id": "UniProtKB:P28070", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome subunit beta type-7", "xref": ["CHEMBL.TARGET:CHEMBL3347256"], "id": "UniProtKB:Q99436", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasomal ubiquitin receptor ADRM1", "xref": ["CHEMBL.TARGET:CHEMBL3710002"], "id": "UniProtKB:Q16186", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S protease regulatory subunit 7", "synonym": ["26S proteasome regulatory subunit 7"], "xref": ["CHEMBL.TARGET:CHEMBL3831203"], "id": "UniProtKB:P35998", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S protease regulatory subunit 4", "synonym": ["26S proteasome regulatory subunit 4"], "xref": ["CHEMBL.TARGET:CHEMBL3831204"], "id": "UniProtKB:P62191", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome regulatory subunit 6B", "xref": ["CHEMBL.TARGET:CHEMBL3831205"], "id": "UniProtKB:P43686", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S protease regulatory subunit 10B", "synonym": ["26S proteasome regulatory subunit 10B"], "xref": ["CHEMBL.TARGET:CHEMBL3831206"], "id": "UniProtKB:P62333", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S protease regulatory subunit 6A", "synonym": ["26S proteasome regulatory subunit 6A"], "xref": ["CHEMBL.TARGET:CHEMBL3831207"], "id": "UniProtKB:P17980", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S protease regulatory subunit 8", "synonym": ["26S proteasome regulatory subunit 8"], "xref": ["CHEMBL.TARGET:CHEMBL3831208"], "id": "UniProtKB:P62195", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL3831209"], "id": "UniProtKB:Q13200", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL3831210"], "id": "UniProtKB:O43242", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 12", "xref": ["CHEMBL.TARGET:CHEMBL3831211"], "id": "UniProtKB:O00232", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 11", "xref": ["CHEMBL.TARGET:CHEMBL3831212"], "id": "UniProtKB:O00231", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 6", "xref": ["CHEMBL.TARGET:CHEMBL3831213"], "id": "UniProtKB:Q15008", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 7", "xref": ["CHEMBL.TARGET:CHEMBL3831214"], "id": "UniProtKB:P51665", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 13", "xref": ["CHEMBL.TARGET:CHEMBL3831215"], "id": "UniProtKB:Q9UNM6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 4", "id": "UniProtKB:P55036", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 8", "xref": ["CHEMBL.TARGET:CHEMBL3831217"], "id": "UniProtKB:P48556", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome complex subunit SEM1", "id": "UniProtKB:P60896", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fibrinogen alpha chain", "id": "UniProtKB:P02671", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fibrinogen gamma chain", "id": "UniProtKB:P02679", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial", "id": "UniProtKB:A5GZW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.TARGET:CHEMBL2366564", "category": ["biolink:MacromolecularComplex"], "name": "Succinate-ubiquinone oxidoreductase"}
{"name": "Succinate dehydrogenase cytochrome b560 subunit, mitochondrial", "id": "UniProtKB:D0VWV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "ATP synthase subunit beta, chloroplastic", "id": "UniProtKB:P00825", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"id": "CHEMBL.TARGET:CHEMBL2366567", "category": ["biolink:MacromolecularComplex"], "name": "Chloroplast coupling factor 1"}
{"name": "ATP synthase subunit b, chloroplastic", "id": "UniProtKB:P06453", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"name": "ATP synthase subunit c, chloroplastic", "id": "UniProtKB:P69447", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"name": "ATP synthase subunit a, chloroplastic", "id": "UniProtKB:P06451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"name": "ATP synthase gamma chain, chloroplastic", "id": "UniProtKB:P05435", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"name": "ATP synthase subunit b', chloroplastic", "id": "UniProtKB:P31853", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"name": "ATP synthase subunit alpha, chloroplastic", "id": "UniProtKB:P06450", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"name": "ATP synthase delta chain, chloroplastic", "id": "UniProtKB:P11402", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"name": "ATP synthase epsilon chain, chloroplastic", "id": "UniProtKB:P00833", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"name": "Pyruvate dehydrogenase E1 component subunit alpha, mitochondrial", "id": "UniProtKB:P52902", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3888"]}
{"id": "CHEMBL.TARGET:CHEMBL2366570", "category": ["biolink:MacromolecularComplex"], "name": "Pyruvate dehydrogenase complex"}
{"name": "Pyruvate dehydrogenase E1 component subunit beta, mitochondrial", "id": "UniProtKB:P52904", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3888"]}
{"id": "CHEMBL.TARGET:CHEMBL2366571", "category": ["biolink:MacromolecularComplex"], "name": "Pyruvate dehydrogenase complex"}
{"name": "Ecdysone receptor", "xref": ["CHEMBL.TARGET:CHEMBL3413"], "id": "UniProtKB:P49880", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7159"]}
{"id": "CHEMBL.TARGET:CHEMBL2366575", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Nuclear receptor subfamily 2 group B member 4", "id": "UniProtKB:Q9GSG8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7159"]}
{"name": "Ecdysone receptor", "id": "UniProtKB:B8RG26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7044"]}
{"id": "CHEMBL.TARGET:CHEMBL2366576", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Nuclear receptor subfamily 2 group B member 4", "id": "UniProtKB:Q4W6C8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7539"]}
{"name": "Ecdysone receptor", "id": "UniProtKB:A3EZJ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7038"]}
{"id": "CHEMBL.TARGET:CHEMBL2366577", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Ultraspiracle protein", "id": "UniProtKB:A3EZJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7038"]}
{"name": "Ecdysone receptor", "id": "UniProtKB:Q8MYA6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:168631"]}
{"id": "CHEMBL.TARGET:CHEMBL2366578", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Protein ultraspiracle homolog", "id": "UniProtKB:Q8I1M8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:168631"]}
{"name": "Ecdysone receptor", "id": "UniProtKB:P49882", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7153"]}
{"id": "CHEMBL.TARGET:CHEMBL2366579", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Nuclear receptor subfamily 2 group B member 4", "id": "UniProtKB:O45117", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7153"]}
{"name": "Ecdysone receptor", "xref": ["CHEMBL.TARGET:CHEMBL4113"], "id": "UniProtKB:O77240", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7141"]}
{"id": "CHEMBL.TARGET:CHEMBL2366580", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Protein ultraspiracle homolog", "id": "UniProtKB:O76202", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7141"]}
{"name": "Ecdysone receptor", "xref": ["CHEMBL.TARGET:CHEMBL5676"], "id": "UniProtKB:P34021", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"id": "CHEMBL.TARGET:CHEMBL2366581", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Protein ultraspiracle", "id": "UniProtKB:P20153", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Ecdysone receptor", "id": "UniProtKB:O18473", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7102"]}
{"id": "CHEMBL.TARGET:CHEMBL2366582", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Gene regulation protein", "id": "UniProtKB:Q7SIF6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7102"]}
{"name": "Ecdysone receptor", "id": "UniProtKB:Q4W6D0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7539"]}
{"id": "CHEMBL.TARGET:CHEMBL2366583", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Ecdysone receptor", "id": "UniProtKB:O97095", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7004"]}
{"id": "CHEMBL.TARGET:CHEMBL2366584", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Nuclear receptor subfamily 2 group B member 4", "id": "UniProtKB:Q6V7U7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7004"]}
{"name": "Ecdysone receptor", "xref": ["CHEMBL.TARGET:CHEMBL1250403"], "id": "UniProtKB:O18531", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7375"]}
{"id": "CHEMBL.TARGET:CHEMBL2366585", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Nuclear receptor subfamily 2 group B member 4", "id": "UniProtKB:Q962I5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7375"]}
{"name": "Ecdysone receptor", "id": "UniProtKB:A3EZJ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13164"]}
{"id": "CHEMBL.TARGET:CHEMBL2366586", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Ultraspiracle protein", "id": "UniProtKB:A3EZK0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13164"]}
{"name": "Ecdysone receptor", "id": "UniProtKB:Q6RVD3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:58824"]}
{"id": "CHEMBL.TARGET:CHEMBL2366587", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Protein ultraspiracle homolog", "id": "UniProtKB:Q6IVK1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:58824"]}
{"name": "Ecdysone receptor", "id": "UniProtKB:Q8MWR2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7108"]}
{"id": "CHEMBL.TARGET:CHEMBL2366588", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Protein ultraspiracle homolog", "id": "UniProtKB:Q8MWR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7108"]}
{"name": "Ecdysone receptor", "id": "UniProtKB:E5L6Y1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:85310"]}
{"id": "CHEMBL.TARGET:CHEMBL2366589", "category": ["biolink:MacromolecularComplex"], "name": "Ecdysone receptor"}
{"name": "Nuclear receptor subfamily 2 group B member 4", "id": "UniProtKB:E5L6Y0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:85310"]}
{"name": "5'-AMP-activated protein kinase subunit gamma-2", "xref": ["CHEMBL.TARGET:CHEMBL2453"], "id": "UniProtKB:Q9UGJ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038451", "category": ["biolink:MacromolecularComplex"], "name": "AMPK alpha1/beta1/gamma2"}
{"id": "CHEMBL.TARGET:CHEMBL3038452", "category": ["biolink:MacromolecularComplex"], "name": "AMPK alpha1/beta1/gamma3"}
{"name": "5'-AMP-activated protein kinase subunit gamma-3", "id": "UniProtKB:Q9UGI9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5'-AMP-activated protein kinase subunit beta-2", "xref": ["CHEMBL.TARGET:CHEMBL2117"], "id": "UniProtKB:O43741", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038453", "category": ["biolink:MacromolecularComplex"], "name": "AMPK alpha1/beta2/gamma1"}
{"name": "5'-AMP-activated protein kinase catalytic subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL2116"], "id": "UniProtKB:P54646", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038454", "category": ["biolink:MacromolecularComplex"], "name": "AMPK alpha1/alpha2"}
{"id": "CHEMBL.TARGET:CHEMBL3038455", "category": ["biolink:MacromolecularComplex"], "name": "AMPK alpha2/beta1/gamma1"}
{"id": "CHEMBL.TARGET:CHEMBL3038456", "category": ["biolink:MacromolecularComplex"], "name": "AMPK alpha2/beta2/gamma1"}
{"id": "CHEMBL.TARGET:CHEMBL3038457", "category": ["biolink:MacromolecularComplex"], "name": "AMPK alpha2/beta2/gamma3"}
{"id": "CHEMBL.TARGET:CHEMBL3038458", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha2/beta2"}
{"id": "CHEMBL.TARGET:CHEMBL3038459", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha2/beta4"}
{"name": "Acetylcholine receptor subunit alpha", "id": "UniProtKB:P04756", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3038460", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha1/beta1/gamma/delta"}
{"name": "Acetylcholine receptor subunit beta", "id": "UniProtKB:P09690", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Acetylcholine receptor subunit delta", "id": "UniProtKB:P02716", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Acetylcholine receptor subunit gamma", "id": "UniProtKB:P04760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-5", "id": "UniProtKB:P30532", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-9", "xref": ["CHEMBL.TARGET:CHEMBL2585"], "id": "UniProtKB:P43144", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3038462", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha9/alpha10"}
{"name": "Neuronal acetylcholine receptor subunit alpha-10", "xref": ["CHEMBL.TARGET:CHEMBL3461"], "id": "UniProtKB:Q9JLB5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Cyclin-dependent kinase inhibitor 1", "xref": ["CHEMBL.TARGET:CHEMBL5021"], "id": "UniProtKB:P38936", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038463", "category": ["biolink:MacromolecularComplex"], "name": "AKT/p21CIP1"}
{"name": "Catenin beta-1", "xref": ["CHEMBL.TARGET:CHEMBL5866"], "id": "UniProtKB:P35222", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038464", "category": ["biolink:MacromolecularComplex"], "name": "Axin1/beta-catenin"}
{"name": "Axin-1", "xref": ["CHEMBL.TARGET:CHEMBL1255127"], "id": "UniProtKB:O15169", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038467", "category": ["biolink:MacromolecularComplex"], "name": "CDK1/Cyclin A"}
{"id": "CHEMBL.TARGET:CHEMBL3038468", "category": ["biolink:MacromolecularComplex"], "name": "CDK1/Cyclin E"}
{"id": "CHEMBL.TARGET:CHEMBL3038469", "category": ["biolink:MacromolecularComplex"], "name": "CDK2/Cyclin A2"}
{"id": "CHEMBL.TARGET:CHEMBL3038470", "category": ["biolink:MacromolecularComplex"], "name": "CDK2/Cyclin A1"}
{"id": "CHEMBL.TARGET:CHEMBL3038471", "category": ["biolink:MacromolecularComplex"], "name": "CDK3/Cyclin E"}
{"name": "Cyclin-dependent kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL4442"], "id": "UniProtKB:Q00526", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038472", "category": ["biolink:MacromolecularComplex"], "name": "CDK4/Cyclin D3"}
{"id": "CHEMBL.TARGET:CHEMBL3038473", "category": ["biolink:MacromolecularComplex"], "name": "CDK7/Cyclin H/MNAT1"}
{"name": "CDK-activating kinase assembly factor MAT1", "xref": ["CHEMBL.TARGET:CHEMBL5053"], "id": "UniProtKB:P51948", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-dependent kinase 8", "xref": ["CHEMBL.TARGET:CHEMBL5719"], "id": "UniProtKB:P49336", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038474", "category": ["biolink:MacromolecularComplex"], "name": "CDK8/Cyclin C"}
{"name": "Cyclin-C", "xref": ["CHEMBL.TARGET:CHEMBL2401607"], "id": "UniProtKB:P24863", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038475", "category": ["biolink:MacromolecularComplex"], "name": "CDK9/Cyclin K"}
{"name": "Cyclin-K", "xref": ["CHEMBL.TARGET:CHEMBL2346490"], "id": "UniProtKB:O75909", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Casein kinase II subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL2358"], "id": "UniProtKB:P67870", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038477", "category": ["biolink:MacromolecularComplex"], "name": "Casein kinase II alpha/beta"}
{"id": "CHEMBL.TARGET:CHEMBL3038478", "category": ["biolink:MacromolecularComplex"], "name": "Dopamine receptor D2L/neurotensin receptor NTS1"}
{"name": "Glutamate receptor ionotropic, kainate 5", "xref": ["CHEMBL.TARGET:CHEMBL2675"], "id": "UniProtKB:Q16478", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038480", "category": ["biolink:MacromolecularComplex"], "name": "Ionotropic glutamate receptor kainate 2/5"}
{"name": "Glutamate receptor ionotropic, kainate 2", "xref": ["CHEMBL.TARGET:CHEMBL3683"], "id": "UniProtKB:Q13002", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutamate receptor ionotropic, kainate 2", "xref": ["CHEMBL.TARGET:CHEMBL3607"], "id": "UniProtKB:P42260", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3038481", "category": ["biolink:MacromolecularComplex"], "name": "Ionotropic glutamate receptor kainate 2/5"}
{"name": "Glutamate receptor ionotropic, kainate 5", "xref": ["CHEMBL.TARGET:CHEMBL4041"], "id": "UniProtKB:Q63273", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "DNA gyrase subunit B", "xref": ["CHEMBL.TARGET:CHEMBL1921666"], "id": "UniProtKB:P0A0K8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"name": "DNA gyrase subunit A", "xref": ["CHEMBL.TARGET:CHEMBL2424506"], "id": "UniProtKB:P20831", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.TARGET:CHEMBL3038484", "category": ["biolink:MacromolecularComplex"], "name": "Histone deacetylase 3/NCoR1"}
{"name": "Nuclear receptor corepressor 1", "xref": ["CHEMBL.TARGET:CHEMBL2406898"], "id": "UniProtKB:O75376", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inhibitor of nuclear factor kappa-B kinase subunit epsilon", "xref": ["CHEMBL.TARGET:CHEMBL3529"], "id": "UniProtKB:Q14164", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038486", "category": ["biolink:MacromolecularComplex"], "name": "IKK epsilon/TBK1"}
{"name": "Serine/threonine-protein kinase TBK1", "xref": ["CHEMBL.TARGET:CHEMBL5408"], "id": "UniProtKB:Q9UHD2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-sensitive inward rectifier potassium channel 11", "id": "UniProtKB:P70673", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3038487", "category": ["biolink:MacromolecularComplex"], "name": "Kir6.2/SUR1"}
{"name": "ATP-binding cassette sub-family C member 8", "xref": ["CHEMBL.TARGET:CHEMBL1944490"], "id": "UniProtKB:Q09429", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "G protein-activated inward rectifier potassium channel 1", "xref": ["CHEMBL.TARGET:CHEMBL1914277"], "id": "UniProtKB:P48549", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "G protein-activated inward rectifier potassium channel 4", "xref": ["CHEMBL.TARGET:CHEMBL1914278"], "id": "UniProtKB:P48544", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038489", "category": ["biolink:MacromolecularComplex"], "name": "Kir3.1/Kir3.2"}
{"name": "G protein-activated inward rectifier potassium channel 2", "xref": ["CHEMBL.TARGET:CHEMBL2406895"], "id": "UniProtKB:P48051", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038490", "category": ["biolink:MacromolecularComplex"], "name": "Kir3.2/Kir3.3"}
{"name": "G protein-activated inward rectifier potassium channel 3", "id": "UniProtKB:Q92806", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038491", "category": ["biolink:MacromolecularComplex"], "name": "JAK3/JAK1"}
{"id": "CHEMBL.TARGET:CHEMBL3038492", "category": ["biolink:MacromolecularComplex"], "name": "JAK2/JAK1"}
{"name": "E3 ubiquitin-protein ligase Mdm2", "xref": ["CHEMBL.TARGET:CHEMBL5023"], "id": "UniProtKB:Q00987", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038493", "category": ["biolink:MacromolecularComplex"], "name": "Casein kinase I/MDM2"}
{"name": "Casein kinase I isoform alpha", "xref": ["CHEMBL.TARGET:CHEMBL2793"], "id": "UniProtKB:P48729", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Casein kinase I isoform delta", "xref": ["CHEMBL.TARGET:CHEMBL2828"], "id": "UniProtKB:P48730", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038494", "category": ["biolink:MacromolecularComplex"], "name": "Casein kinase I delta/epsilon"}
{"id": "CHEMBL.TARGET:CHEMBL3038495", "category": ["biolink:MacromolecularComplex"], "name": "Calcium-activated potassium channel alpha/beta 1"}
{"name": "Large conductance calcium-activated potassium channel subfamily M beta member 1", "synonym": ["Calcium-activated potassium channel subunit beta-1"], "xref": ["CHEMBL.TARGET:CHEMBL5078"], "id": "UniProtKB:Q16558", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038499", "category": ["biolink:MacromolecularComplex"], "name": "TAK1/TAB1"}
{"name": "Mitogen-activated protein kinase kinase kinase 7", "xref": ["CHEMBL.TARGET:CHEMBL5776"], "id": "UniProtKB:O43318", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038504", "category": ["biolink:MacromolecularComplex"], "name": "Ionotropic glutamate receptor NMDA 1/2C"}
{"name": "Glutamate receptor ionotropic, NMDA 2C", "xref": ["CHEMBL.TARGET:CHEMBL4109"], "id": "UniProtKB:Q14957", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038505", "category": ["biolink:MacromolecularComplex"], "name": "Ionotropic glutamate receptor NMDA 1/2D"}
{"name": "Glutamate receptor ionotropic, NMDA 2D", "xref": ["CHEMBL.TARGET:CHEMBL2591"], "id": "UniProtKB:O15399", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038506", "category": ["biolink:MacromolecularComplex"], "name": "Ionotropic glutamate receptor NMDA 1/2D"}
{"name": "Glutamate receptor ionotropic, NMDA 2D", "xref": ["CHEMBL.TARGET:CHEMBL303"], "id": "UniProtKB:Q62645", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "DNA topoisomerase 4 subunit A", "xref": ["CHEMBL.TARGET:CHEMBL4088"], "id": "UniProtKB:P0C1U9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"name": "DNA topoisomerase 4 subunit B", "xref": ["CHEMBL.TARGET:CHEMBL2150841"], "id": "UniProtKB:P0C1S7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"name": "Phosphatidylinositol 4-kinase alpha", "xref": ["CHEMBL.TARGET:CHEMBL3667"], "id": "UniProtKB:P42356", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038509", "category": ["biolink:MacromolecularComplex"], "name": "PI4KA/PI4KAP2"}
{"name": "Putative phosphatidylinositol 4-kinase alpha-like protein P2", "xref": ["CHEMBL.TARGET:CHEMBL4105789"], "id": "UniProtKB:A4QPH2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038510", "category": ["biolink:MacromolecularComplex"], "name": "PI3K p110 beta/p85 alpha"}
{"id": "CHEMBL.TARGET:CHEMBL3038511", "category": ["biolink:MacromolecularComplex"], "name": "TCF4/beta-catenin"}
{"name": "Transcription factor 7-like 2", "id": "UniProtKB:Q9NQB0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lymphocyte antigen 96", "xref": ["CHEMBL.TARGET:CHEMBL2375202"], "id": "UniProtKB:Q9Y6Y9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038513", "category": ["biolink:MacromolecularComplex"], "name": "Toll-like receptor 4/MD-2/CD14"}
{"name": "Toll-like receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL1795167"], "id": "UniProtKB:Q9QUK6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3038514", "category": ["biolink:MacromolecularComplex"], "name": "Toll-like receptor 4/MD-2/CD14"}
{"name": "Lymphocyte antigen 96", "xref": ["CHEMBL.TARGET:CHEMBL2384895"], "id": "UniProtKB:Q9JHF9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Monocyte differentiation antigen CD14", "xref": ["CHEMBL.TARGET:CHEMBL2384896"], "id": "UniProtKB:P10810", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3137261", "category": ["biolink:MacromolecularComplex"], "name": "PRMT5/MEP50 complex"}
{"name": "Methylosome protein WDR77", "xref": ["CHEMBL.TARGET:CHEMBL3108649"], "id": "UniProtKB:Q9BQA1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137262", "category": ["biolink:MacromolecularComplex"], "name": "LSD1/CoREST complex"}
{"name": "REST corepressor 1", "id": "UniProtKB:Q9UKL0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137264", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha1/beta1/epsilon/delta"}
{"name": "Acetylcholine receptor subunit epsilon", "xref": ["CHEMBL.TARGET:CHEMBL3091265"], "id": "UniProtKB:P20782", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3137268", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha2/beta1"}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1D", "xref": ["CHEMBL.TARGET:CHEMBL4132"], "id": "UniProtKB:P27732", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3137269", "category": ["biolink:MacromolecularComplex"], "name": "Cav1.3/Cav beta3 complex"}
{"name": "Voltage-dependent L-type calcium channel subunit beta-3", "id": "UniProtKB:P54287", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Voltage-dependent calcium channel subunit alpha-2/delta-1", "xref": ["CHEMBL.TARGET:CHEMBL3420"], "id": "UniProtKB:P54290", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3137270", "category": ["biolink:MacromolecularComplex"], "name": "Cav1.3/Cav beta3/Cav alpha2delta complex"}
{"id": "CHEMBL.TARGET:CHEMBL3137272", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha3/beta2/alpha5"}
{"id": "CHEMBL.TARGET:CHEMBL3137273", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha3/beta4/alpha5"}
{"id": "CHEMBL.TARGET:CHEMBL3137275", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3"}
{"name": "Neuronal acetylcholine receptor subunit beta-3", "id": "UniProtKB:P12391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-6", "xref": ["CHEMBL.TARGET:CHEMBL4747"], "id": "UniProtKB:P43143", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3137276", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha6/alpha3/beta4"}
{"name": "P2X purinoceptor 2", "xref": ["CHEMBL.TARGET:CHEMBL2135"], "id": "UniProtKB:P49653", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3137277", "category": ["biolink:MacromolecularComplex"], "name": "P2X2/P2X3 receptor"}
{"name": "P2X purinoceptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4824"], "id": "UniProtKB:P49654", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3137278", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha1/beta1 complex"}
{"name": "Integrin alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL3682"], "id": "UniProtKB:P56199", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Guanylate cyclase soluble subunit beta-1", "id": "UniProtKB:Q02153", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137281", "category": ["biolink:MacromolecularComplex"], "name": "Soluble guanylate cyclase alpha1/beta1 complex"}
{"name": "Guanylate cyclase soluble subunit alpha-1", "id": "UniProtKB:Q02108", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WD repeat-containing protein 5", "xref": ["CHEMBL.TARGET:CHEMBL1075317"], "id": "UniProtKB:P61964", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137282", "category": ["biolink:MacromolecularComplex"], "name": "MLL1/ASH2L/RBBP5/WDR5 complex"}
{"name": "Histone-lysine N-methyltransferase 2A", "xref": ["CHEMBL.TARGET:CHEMBL1293299"], "id": "UniProtKB:Q03164", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Set1/Ash2 histone methyltransferase complex subunit ASH2", "xref": ["CHEMBL.TARGET:CHEMBL3108650"], "id": "UniProtKB:Q9UBL3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Retinoblastoma-binding protein 5", "xref": ["CHEMBL.TARGET:CHEMBL3108651"], "id": "UniProtKB:Q15291", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137285", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha6/alpha3/beta4"}
{"id": "CHEMBL.TARGET:CHEMBL3137286", "category": ["biolink:MacromolecularComplex"], "name": "EZH2/SUZ12/EED complex"}
{"name": "Polycomb protein EED", "xref": ["CHEMBL.TARGET:CHEMBL2189117"], "id": "UniProtKB:O75530", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polycomb protein SUZ12", "xref": ["CHEMBL.TARGET:CHEMBL2189118"], "id": "UniProtKB:Q15022", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-lysine N-methyltransferase EZH1", "xref": ["CHEMBL.TARGET:CHEMBL2189116"], "id": "UniProtKB:Q92800", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137287", "category": ["biolink:MacromolecularComplex"], "name": "EZH1/SUZ12/EED/AEBP2/RBBP4 complex"}
{"name": "Zinc finger protein AEBP2", "id": "UniProtKB:Q6ZN18", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-binding protein RBBP4", "xref": ["CHEMBL.TARGET:CHEMBL2189120"], "id": "UniProtKB:Q09028", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Toll-like receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL1075106"], "id": "UniProtKB:Q9QUN7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3137289", "category": ["biolink:MacromolecularComplex"], "name": "TLR2/TLR6"}
{"name": "Toll-like receptor 6", "xref": ["CHEMBL.TARGET:CHEMBL2146341"], "id": "UniProtKB:Q9EPW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3137290", "category": ["biolink:MacromolecularComplex"], "name": "SUMO E1/E2"}
{"name": "SUMO-conjugating enzyme UBC9", "xref": ["CHEMBL.TARGET:CHEMBL1741191"], "id": "UniProtKB:P63279", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137291", "category": ["biolink:MacromolecularComplex"], "name": "DNMT3A2/3L complex"}
{"name": "DNA (cytosine-5)-methyltransferase 3-like", "id": "UniProtKB:Q9UJW3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuronal acetylcholine receptor subunit beta-2", "id": "UniProtKB:Q9ERK7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3301382", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha-4/beta-2"}
{"name": "Neuronal acetylcholine receptor subunit beta-4", "id": "UniProtKB:Q8R493", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3301384", "category": ["biolink:MacromolecularComplex"], "name": "CCR5/mu opioid receptor complex"}
{"id": "CHEMBL.TARGET:CHEMBL3301385", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 4/cyclin D2"}
{"name": "G1/S-specific cyclin-D2", "id": "UniProtKB:P30279", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3301386", "category": ["biolink:MacromolecularComplex"], "name": "CDK6/cyclin D2"}
{"id": "CHEMBL.TARGET:CHEMBL3301387", "category": ["biolink:MacromolecularComplex"], "name": "Cannabinoid CB1 receptor/orexin receptor 1 complex"}
{"id": "CHEMBL.TARGET:CHEMBL3301388", "category": ["biolink:MacromolecularComplex"], "name": "EZH2/SUZ12/EED/RBBP7/RBBP4"}
{"name": "Histone-binding protein RBBP7", "xref": ["CHEMBL.TARGET:CHEMBL3286065"], "id": "UniProtKB:Q16576", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3301390", "category": ["biolink:MacromolecularComplex"], "name": "JAK1/JAK2/TYK2"}
{"id": "CHEMBL.TARGET:CHEMBL3301391", "category": ["biolink:MacromolecularComplex"], "name": "JAK1/TYK2"}
{"id": "CHEMBL.TARGET:CHEMBL3301392", "category": ["biolink:MacromolecularComplex"], "name": "JAK2/TYK2"}
{"name": "Myc proto-oncogene protein", "xref": ["CHEMBL.TARGET:CHEMBL1250348"], "id": "UniProtKB:P01106", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3301395", "category": ["biolink:MacromolecularComplex"], "name": "c-Myc/Max"}
{"name": "Protein max", "xref": ["CHEMBL.TARGET:CHEMBL1250363"], "id": "UniProtKB:P61244", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lethal factor", "xref": ["CHEMBL.TARGET:CHEMBL4372"], "id": "UniProtKB:P15917", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1392"]}
{"id": "CHEMBL.TARGET:CHEMBL3301396", "category": ["biolink:MacromolecularComplex"], "name": "Antrax lethal toxin"}
{"name": "Ribonucleoside-diphosphate reductase large subunit", "xref": ["CHEMBL.TARGET:CHEMBL1830"], "id": "UniProtKB:P23921", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribonucleoside-diphosphate reductase subunit M2 B", "id": "UniProtKB:Q7LG56", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3301399", "category": ["biolink:MacromolecularComplex"], "name": "TLR2/TLR6"}
{"name": "Toll-like receptor 6", "xref": ["CHEMBL.TARGET:CHEMBL3259477"], "id": "UniProtKB:Q9Y2C9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "von Hippel-Lindau disease tumor suppressor", "xref": ["CHEMBL.TARGET:CHEMBL3108660"], "id": "UniProtKB:P40337", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3301400", "category": ["biolink:MacromolecularComplex"], "name": "Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C"}
{"name": "Transcription elongation factor B polypeptide 2", "synonym": ["Elongin-B"], "xref": ["CHEMBL.TARGET:CHEMBL3259468"], "id": "UniProtKB:Q15370", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription elongation factor B polypeptide 1", "synonym": ["Elongin-C"], "xref": ["CHEMBL.TARGET:CHEMBL3259469"], "id": "UniProtKB:Q15369", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3301421", "category": ["biolink:MacromolecularComplex"], "name": "Geranylgeranyl transferase type 1"}
{"name": "Geranylgeranyl transferase type-1 subunit beta", "id": "UniProtKB:Q8BUY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA topoisomerase 4 subunit A", "id": "UniProtKB:Q9HUK1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "DNA topoisomerase 4 subunit B", "id": "UniProtKB:Q9HUJ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "DNA gyrase subunit A", "id": "UniProtKB:P48372", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "DNA gyrase subunit B", "id": "UniProtKB:Q9I7C2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.TARGET:CHEMBL3430878", "category": ["biolink:MacromolecularComplex"], "name": "Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta"}
{"id": "CHEMBL.TARGET:CHEMBL3430879", "category": ["biolink:MacromolecularComplex"], "name": "Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha"}
{"name": "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit beta", "id": "UniProtKB:P35913", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430880", "category": ["biolink:MacromolecularComplex"], "name": "Rod cGMP-specific 3',5'-cyclic phosphodiesterase alpha/beta"}
{"name": "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3878"], "id": "UniProtKB:P16499", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430881", "category": ["biolink:MacromolecularComplex"], "name": "PI3-kinase subunit gamma/Phosphoinositide 3-kinase regulatory subunit 5"}
{"name": "Phosphoinositide 3-kinase regulatory subunit 5", "id": "UniProtKB:Q8WYR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430883", "category": ["biolink:MacromolecularComplex"], "name": "Retinoic acid receptor alpha/Retinoid X receptor alpha"}
{"name": "Sphingosine 1-phosphate receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL2955"], "id": "UniProtKB:O95136", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430884", "category": ["biolink:MacromolecularComplex"], "name": "Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3"}
{"name": "Sphingosine 1-phosphate receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL3892"], "id": "UniProtKB:Q99500", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL1795087"], "id": "UniProtKB:O94782", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430885", "category": ["biolink:MacromolecularComplex"], "name": "Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48"}
{"name": "WD repeat-containing protein 48", "xref": ["CHEMBL.TARGET:CHEMBL3351203"], "id": "UniProtKB:Q8TAF3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysine-specific demethylase 4A", "xref": ["CHEMBL.TARGET:CHEMBL5896"], "id": "UniProtKB:O75164", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430889", "category": ["biolink:MacromolecularComplex"], "name": "Lysine-specific demethylase 4A/Lysine-specific demethylase 4B"}
{"name": "Lysine-specific demethylase 4B", "xref": ["CHEMBL.TARGET:CHEMBL3313832"], "id": "UniProtKB:O94953", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430890", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1"}
{"name": "Misshapen-like kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5518"], "id": "UniProtKB:Q8N4C8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Integrin beta-3", "id": "UniProtKB:O54890", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3430891", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-V/beta-3"}
{"name": "Integrin alpha-V", "id": "UniProtKB:P43406", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Integrin beta-8", "id": "UniProtKB:P26012", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430893", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-V/alpha-5"}
{"name": "Integrin alpha-IIb", "id": "UniProtKB:Q9QUM0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3430894", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-IIb/beta-3"}
{"id": "CHEMBL.TARGET:CHEMBL3430895", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-10/Integrin beta-1"}
{"name": "Integrin alpha-10", "xref": ["CHEMBL.TARGET:CHEMBL5882"], "id": "UniProtKB:O75578", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA gyrase subunit B", "id": "UniProtKB:P9WG45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.TARGET:CHEMBL3430898", "category": ["biolink:MacromolecularComplex"], "name": "DNA gyrase subunit A/DNA gyrase subunit B"}
{"name": "DNA gyrase subunit A", "xref": ["CHEMBL.TARGET:CHEMBL4165"], "id": "UniProtKB:P9WG47", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Gamma-aminobutyric acid receptor subunit delta", "xref": ["CHEMBL.TARGET:CHEMBL3591"], "id": "UniProtKB:O14764", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430901", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-dependent N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3"}
{"name": "Voltage-dependent L-type calcium channel subunit beta-3", "xref": ["CHEMBL.TARGET:CHEMBL3351206"], "id": "UniProtKB:P54284", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430907", "category": ["biolink:MacromolecularComplex"], "name": "Aurora kinase B/Inner centromere protein"}
{"name": "Inner centromere protein", "xref": ["CHEMBL.TARGET:CHEMBL5177"], "id": "UniProtKB:Q9NQS7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T cell receptor alpha variable 29/delta variable 5", "id": "UniProtKB:P04437", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T cell receptor alpha chain constant", "id": "UniProtKB:P01848", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T cell receptor beta variable 7-9", "id": "UniProtKB:P04435", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T cell receptor gamma variable 3", "id": "UniProtKB:P03979", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1C", "xref": ["CHEMBL.TARGET:CHEMBL2830"], "id": "UniProtKB:P15381", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.TARGET:CHEMBL3638171", "category": ["biolink:MacromolecularComplex"], "name": "L-type calcium channel alpha 1C/beta 2A"}
{"name": "Voltage-dependent L-type calcium channel subunit beta-2", "id": "UniProtKB:P54288", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "P2X purinoceptor 2", "xref": ["CHEMBL.TARGET:CHEMBL2531"], "id": "UniProtKB:Q9UBL9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3831281", "category": ["biolink:MacromolecularComplex"], "name": "P2X2/P2X3 heterotrimeric receptor"}
{"name": "Troponin I, fast skeletal muscle", "id": "UniProtKB:P48788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Troponin T, fast skeletal muscle", "id": "UniProtKB:P45378", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Troponin C, skeletal muscle", "id": "UniProtKB:P02585", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NEDD8-activating enzyme E1 catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL2016430"], "id": "UniProtKB:Q8TBC4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NEDD8-activating enzyme E1 regulatory subunit", "xref": ["CHEMBL.TARGET:CHEMBL2016431"], "id": "UniProtKB:Q13564", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-10 receptor subunit beta", "id": "UniProtKB:Q08334", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon lambda receptor 1", "id": "UniProtKB:Q8IU57", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-13 receptor subunit alpha-1", "id": "UniProtKB:P78552", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin-7", "id": "UniProtKB:P12883", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin-6", "id": "UniProtKB:P13533", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin-7B", "id": "UniProtKB:A7E2Y1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin light chain 3", "id": "UniProtKB:P08590", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin regulatory light chain 2, ventricular/cardiac muscle isoform", "id": "UniProtKB:P10916", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin regulatory light chain 2, atrial isoform", "id": "UniProtKB:Q01449", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin light chain 4", "xref": ["CHEMBL.TARGET:CHEMBL6066959"], "id": "UniProtKB:P12829", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 1 member 3", "xref": ["CHEMBL.TARGET:CHEMBL1613742"], "id": "UniProtKB:Q7RTX0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3832641", "category": ["biolink:MacromolecularComplex"], "name": "T1R1/T1R3"}
{"name": "Taste receptor type 1 member 1", "id": "UniProtKB:Q7RTX1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 1 member 2", "xref": ["CHEMBL.TARGET:CHEMBL1613741"], "id": "UniProtKB:Q8TE23", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3832642", "category": ["biolink:MacromolecularComplex"], "name": "T1R2/T1R3"}
{"name": "G protein-activated inward rectifier potassium channel 1", "id": "UniProtKB:P63251", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3832643", "category": ["biolink:MacromolecularComplex"], "name": "Kir3.1/Kir3.4"}
{"name": "G protein-activated inward rectifier potassium channel 4", "xref": ["CHEMBL.TARGET:CHEMBL3714708"], "id": "UniProtKB:P48548", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Calcium release-activated calcium channel protein 1", "xref": ["CHEMBL.TARGET:CHEMBL2384891"], "id": "UniProtKB:Q96D31", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3832644", "category": ["biolink:MacromolecularComplex"], "name": "ORAI1/STIM1"}
{"name": "Stromal interaction molecule 1", "id": "UniProtKB:Q13586", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Stromal interaction molecule 1", "id": "UniProtKB:P84903", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3832645", "category": ["biolink:MacromolecularComplex"], "name": "ORAI1/STIM1"}
{"name": "Calcium release-activated calcium channel protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3721308"], "id": "UniProtKB:Q5M848", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3", "xref": ["CHEMBL.TARGET:CHEMBL2331053"], "id": "UniProtKB:Q16875", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3832646", "category": ["biolink:MacromolecularComplex"], "name": "fructose-2,6-bisphosphatase 3/4"}
{"name": "6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4", "xref": ["CHEMBL.TARGET:CHEMBL3721311"], "id": "UniProtKB:Q16877", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein cereblon", "xref": ["CHEMBL.TARGET:CHEMBL3763008"], "id": "UniProtKB:Q96SW2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA damage-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5465550"], "id": "UniProtKB:Q16531", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cullin-4A", "xref": ["CHEMBL.TARGET:CHEMBL4523598"], "id": "UniProtKB:Q13619", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase RBX1", "xref": ["CHEMBL.TARGET:CHEMBL6067545"], "id": "UniProtKB:P62877", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lymphotoxin-beta", "xref": ["CHEMBL.TARGET:CHEMBL3713022"], "id": "UniProtKB:Q06643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mothers against decapentaplegic homolog 1", "id": "UniProtKB:P70340", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3883282", "category": ["biolink:MacromolecularComplex"], "name": "SMAD1/5/9"}
{"name": "Mothers against decapentaplegic homolog 5", "id": "UniProtKB:P97454", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Mothers against decapentaplegic homolog 9", "id": "UniProtKB:Q9JIW5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Glutamate receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3503"], "id": "UniProtKB:P19491", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3883283", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor AMPA 1/2"}
{"name": "Glutamate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3753"], "id": "UniProtKB:P19490", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3883290", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor ionotropic, AMPA 2/3"}
{"name": "Glutamate receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL3504"], "id": "UniProtKB:P19492", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Glutamate receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL3595"], "id": "UniProtKB:P42263", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883291", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor AMPA 2/3"}
{"id": "CHEMBL.TARGET:CHEMBL3883292", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor AMPA 2/4"}
{"name": "Glutamate receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL3505"], "id": "UniProtKB:P19493", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3883294", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor AMPA 1/2"}
{"id": "CHEMBL.TARGET:CHEMBL3883298", "category": ["biolink:MacromolecularComplex"], "name": "Inhibitor of NF-kappa-B kinase alpha/beta"}
{"id": "CHEMBL.TARGET:CHEMBL3883304", "category": ["biolink:MacromolecularComplex"], "name": "Aurora kinase A/Targeting protein for Xklp2"}
{"name": "Targeting protein for Xklp2", "xref": ["CHEMBL.TARGET:CHEMBL5389"], "id": "UniProtKB:Q9ULW0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883311", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-gated potassium channel KCNQ3/KCNQ5"}
{"id": "CHEMBL.TARGET:CHEMBL3883314", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor subunit alpha-4/beta-2"}
{"name": "Neuronal acetylcholine receptor subunit alpha-4", "xref": ["CHEMBL.TARGET:CHEMBL4457"], "id": "UniProtKB:O70174", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA excision repair protein ERCC-1", "id": "UniProtKB:P07992", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883316", "category": ["biolink:MacromolecularComplex"], "name": "DNA excision repair protein ERCC-1/DNA repair endonuclease XPF"}
{"name": "DNA repair endonuclease XPF", "id": "UniProtKB:Q92889", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1", "xref": ["CHEMBL.TARGET:CHEMBL3721304"], "id": "UniProtKB:P62873", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883319", "category": ["biolink:MacromolecularComplex"], "name": "Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2"}
{"name": "Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2", "id": "UniProtKB:P59768", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-2A adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL1867"], "id": "UniProtKB:P08913", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883321", "category": ["biolink:MacromolecularComplex"], "name": "Mu opioid receptor/Alpha-2A adrenergic receptor"}
{"id": "CHEMBL.TARGET:CHEMBL3883322", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/beta-3/gamma-2"}
{"name": "Cyclin-dependent kinase 19", "xref": ["CHEMBL.TARGET:CHEMBL6002"], "id": "UniProtKB:Q9BWU1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883323", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-C/Cyclin-dependent kinase 19"}
{"name": "Integrin alpha-IIb", "id": "UniProtKB:Q9TUN4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.TARGET:CHEMBL3883325", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-IIb/beta-3"}
{"name": "Integrin beta", "id": "UniProtKB:Q9TUN3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.TARGET:CHEMBL3883328", "category": ["biolink:MacromolecularComplex"], "name": "Casein kinase II alpha'/ beta"}
{"name": "Casein kinase II subunit alpha'", "xref": ["CHEMBL.TARGET:CHEMBL4070"], "id": "UniProtKB:P19784", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883329", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor subunit alpha-6/beta-3"}
{"name": "5'-AMP-activated protein kinase catalytic subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4533"], "id": "UniProtKB:P54645", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885503", "category": ["biolink:MacromolecularComplex"], "name": "5'-AMP-activated protein kinase catalytic subunit alpha-1/beta-1/gamma-1"}
{"name": "5'-AMP-activated protein kinase subunit beta-1", "xref": ["CHEMBL.TARGET:CHEMBL5054"], "id": "UniProtKB:P80386", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5'-AMP-activated protein kinase subunit gamma-1", "id": "UniProtKB:P80385", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885504", "category": ["biolink:MacromolecularComplex"], "name": "5'-AMP-activated protein kinase catalytic subunit alpha-2/beta-1/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL3885508", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha-1/beta-1"}
{"name": "Acetylcholine receptor subunit beta", "id": "UniProtKB:P25109", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885509", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon"}
{"name": "Acetylcholine receptor subunit alpha", "id": "UniProtKB:P25108", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Acetylcholine receptor subunit delta", "id": "UniProtKB:P25110", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Acetylcholine receptor subunit epsilon", "xref": ["CHEMBL.TARGET:CHEMBL4961"], "id": "UniProtKB:P09660", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885512", "category": ["biolink:MacromolecularComplex"], "name": "Adenosine receptor A1/Alpha-2A adrenergic receptor"}
{"id": "CHEMBL.TARGET:CHEMBL3885517", "category": ["biolink:MacromolecularComplex"], "name": "Apoptotic protease-activating factor 1/Caspase-3/Caspase-9/Cytochrome c"}
{"name": "Caspase-3", "xref": ["CHEMBL.TARGET:CHEMBL2334"], "id": "UniProtKB:P42574", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Apoptotic protease-activating factor 1", "xref": ["CHEMBL.TARGET:CHEMBL1795093"], "id": "UniProtKB:O14727", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c", "xref": ["CHEMBL.TARGET:CHEMBL2189163"], "id": "UniProtKB:P99999", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885521", "category": ["biolink:MacromolecularComplex"], "name": "Baculoviral IAP repeat-containing protein 2/Estrogen receptor"}
{"id": "CHEMBL.TARGET:CHEMBL3885523", "category": ["biolink:MacromolecularComplex"], "name": "MCL1-BAK1 complex"}
{"name": "Bcl-2 homologous antagonist/killer", "xref": ["CHEMBL.TARGET:CHEMBL5609"], "id": "UniProtKB:Q16611", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bcl-2-like protein 11", "xref": ["CHEMBL.TARGET:CHEMBL5777"], "id": "UniProtKB:O43521", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885524", "category": ["biolink:MacromolecularComplex"], "name": "Bcl-2-like protein 11/Bcl-2-related protein A1"}
{"id": "CHEMBL.TARGET:CHEMBL3885525", "category": ["biolink:MacromolecularComplex"], "name": "beta-catenin-B-cell lymphoma 9 protein complex"}
{"name": "B-cell CLL/lymphoma 9 protein", "xref": ["CHEMBL.TARGET:CHEMBL3712821"], "id": "UniProtKB:O00512", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Retinoic acid receptor RXR-alpha", "xref": ["CHEMBL.TARGET:CHEMBL3084"], "id": "UniProtKB:P28700", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885529", "category": ["biolink:MacromolecularComplex"], "name": "Bile acid receptor/Retinoic acid receptor RXR-alpha"}
{"name": "Bile acid receptor", "xref": ["CHEMBL.TARGET:CHEMBL5343"], "id": "UniProtKB:Q60641", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Serine/threonine-protein kinase STK11", "xref": ["CHEMBL.TARGET:CHEMBL5606"], "id": "UniProtKB:Q15831", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885534", "category": ["biolink:MacromolecularComplex"], "name": "LKB1-STRAD-MO25 complex"}
{"name": "STE20-related kinase adapter protein alpha", "xref": ["CHEMBL.TARGET:CHEMBL1795198"], "id": "UniProtKB:Q7RTN6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium-binding protein 39", "xref": ["CHEMBL.TARGET:CHEMBL2010621"], "id": "UniProtKB:Q9Y376", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885538", "category": ["biolink:MacromolecularComplex"], "name": "Cannabinoid receptor 1/Mu-type opioid receptor"}
{"id": "CHEMBL.TARGET:CHEMBL3885539", "category": ["biolink:MacromolecularComplex"], "name": "Casein kinase I isoform alpha/subunit beta"}
{"id": "CHEMBL.TARGET:CHEMBL3885541", "category": ["biolink:MacromolecularComplex"], "name": "TCF4-CTNNB1 complex"}
{"name": "Transcription factor 4", "id": "UniProtKB:P15884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Corticotropin-releasing factor receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4069"], "id": "UniProtKB:Q13324", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885546", "category": ["biolink:MacromolecularComplex"], "name": "Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein"}
{"name": "Corticotropin-releasing factor-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL5930"], "id": "UniProtKB:P24387", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885548", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-A1/Cyclin-dependent kinase 4"}
{"id": "CHEMBL.TARGET:CHEMBL3885549", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-T1/Cyclin-dependent-like kinase 5"}
{"name": "Cyclin-dependent kinase 16", "xref": ["CHEMBL.TARGET:CHEMBL4597"], "id": "UniProtKB:Q00536", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885550", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-Y/Cyclin-dependent kinase 16"}
{"name": "Cyclin-Y", "id": "UniProtKB:Q8ND76", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885551", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 1/G1/S-specific cyclin-D1"}
{"id": "CHEMBL.TARGET:CHEMBL3885552", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 2/G1/S-specific cyclin-D1"}
{"id": "CHEMBL.TARGET:CHEMBL3885554", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 4/G1/S-specific cyclin-E1"}
{"name": "Cyclin-dependent kinase 5", "id": "UniProtKB:P49615", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885555", "category": ["biolink:MacromolecularComplex"], "name": "Cdk5-Cdk5r1 complex"}
{"name": "Cyclin-dependent kinase 5 activator 1", "id": "UniProtKB:P61809", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA (cytosine-5)-methyltransferase 3B", "xref": ["CHEMBL.TARGET:CHEMBL6095"], "id": "UniProtKB:Q9UBC3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885560", "category": ["biolink:MacromolecularComplex"], "name": "DNMT3B-DNMT3L complex"}
{"name": "GTP-binding nuclear protein Ran", "xref": ["CHEMBL.TARGET:CHEMBL1741190"], "id": "UniProtKB:P62826", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885569", "category": ["biolink:MacromolecularComplex"], "name": "GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1"}
{"name": "Importin subunit beta-1", "xref": ["CHEMBL.TARGET:CHEMBL1741199"], "id": "UniProtKB:Q14974", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Snurportin-1", "id": "UniProtKB:O95149", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885570", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/ beta-1"}
{"id": "CHEMBL.TARGET:CHEMBL3885571", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-2/beta-2"}
{"id": "CHEMBL.TARGET:CHEMBL3885572", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-3/ beta-2"}
{"id": "CHEMBL.TARGET:CHEMBL3885573", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-3/ beta-3/gamma-3"}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-3", "id": "UniProtKB:Q99928", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885574", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-3/beta-3"}
{"id": "CHEMBL.TARGET:CHEMBL3885575", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/theta"}
{"name": "Gamma-aminobutyric acid receptor subunit theta", "id": "UniProtKB:Q9UN88", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885576", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-5/beta-2"}
{"id": "CHEMBL.TARGET:CHEMBL3885577", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-3"}
{"id": "CHEMBL.TARGET:CHEMBL3885578", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-6/beta-3"}
{"name": "Glutamate receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL3190"], "id": "UniProtKB:P48058", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885581", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor AMPA 3/4"}
{"id": "CHEMBL.TARGET:CHEMBL3885582", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor AMPA 3/4"}
{"name": "Glutamate receptor ionotropic, NMDA 1", "id": "UniProtKB:P35438", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885583", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor ionotropic, NMDA 1/NMDA 2B"}
{"name": "Glutamate receptor ionotropic, NMDA 2B", "xref": ["CHEMBL.TARGET:CHEMBL3442"], "id": "UniProtKB:Q01097", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Histone acetyltransferase p300", "xref": ["CHEMBL.TARGET:CHEMBL3784"], "id": "UniProtKB:Q09472", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885588", "category": ["biolink:MacromolecularComplex"], "name": "Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha"}
{"name": "Hypoxia-inducible factor 1-alpha", "xref": ["CHEMBL.TARGET:CHEMBL4261"], "id": "UniProtKB:Q16665", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885590", "category": ["biolink:MacromolecularComplex"], "name": "Histone deacetylase 1/Nuclear receptor corepressor 2"}
{"id": "CHEMBL.TARGET:CHEMBL3885591", "category": ["biolink:MacromolecularComplex"], "name": "Histone deacetylase 2/Nuclear receptor corepressor 2"}
{"name": "Splicing factor 3B subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL1229011"], "id": "UniProtKB:Q13435", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885592", "category": ["biolink:MacromolecularComplex"], "name": "Histone deacetylase complex subunit SAP130/Splicing factor 3B subunit 1/Splicing factor 3B subunit 2"}
{"name": "Histone deacetylase complex subunit SAP130", "xref": ["CHEMBL.TARGET:CHEMBL1229012"], "id": "UniProtKB:Q9H0E3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor 3B subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL1229013"], "id": "UniProtKB:O75533", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885595", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4"}
{"id": "CHEMBL.TARGET:CHEMBL3885596", "category": ["biolink:MacromolecularComplex"], "name": "ITGA6-ITGB1 complex"}
{"name": "Integrin alpha-6", "xref": ["CHEMBL.TARGET:CHEMBL3716"], "id": "UniProtKB:P23229", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885597", "category": ["biolink:MacromolecularComplex"], "name": "ITGB1-ITGA9 complex"}
{"name": "Integrin alpha-9", "xref": ["CHEMBL.TARGET:CHEMBL3170"], "id": "UniProtKB:Q13797", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885598", "category": ["biolink:MacromolecularComplex"], "name": "Kv channel-interacting protein 2/Potassium voltage-gated channel subfamily D member 3"}
{"name": "A-type potassium channel modulatory protein KCNIP2", "xref": ["CHEMBL.TARGET:CHEMBL2189164"], "id": "UniProtKB:Q9NS61", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885609", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor subunit alpha-3/beta-4"}
{"name": "Neuronal acetylcholine receptor subunit alpha-3", "id": "UniProtKB:Q8R4G9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885610", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor subunit alpha-4/alpha-6/beta-2/beta-3"}
{"name": "Neuronal acetylcholine receptor subunit alpha-6", "xref": ["CHEMBL.TARGET:CHEMBL6183"], "id": "UniProtKB:Q9R0W9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Neuronal acetylcholine receptor subunit beta-3", "id": "UniProtKB:Q8BMN3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885611", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor subunit alpha-6/beta-2"}
{"id": "CHEMBL.TARGET:CHEMBL3885613", "category": ["biolink:MacromolecularComplex"], "name": "Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha"}
{"name": "Nuclear receptor subfamily 4 group A member 2", "xref": ["CHEMBL.TARGET:CHEMBL5002"], "id": "UniProtKB:P43354", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885615", "category": ["biolink:MacromolecularComplex"], "name": "Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform"}
{"name": "Phosphatidylinositol 3-kinase regulatory subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4437"], "id": "UniProtKB:O00459", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily KQT member 2", "xref": ["CHEMBL.TARGET:CHEMBL5530"], "id": "UniProtKB:O88943", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885622", "category": ["biolink:MacromolecularComplex"], "name": "Potassium voltage-gated channel subfamily KQT member 2/member 3"}
{"name": "Potassium voltage-gated channel subfamily KQT member 3", "xref": ["CHEMBL.TARGET:CHEMBL5531"], "id": "UniProtKB:O88944", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Proteasome assembly chaperone 1", "id": "UniProtKB:O95456", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885624", "category": ["biolink:MacromolecularComplex"], "name": "PAC1-PAC2 complex"}
{"name": "Proteasome assembly chaperone 2", "id": "UniProtKB:Q969U7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885631", "category": ["biolink:MacromolecularComplex"], "name": "Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta"}
{"id": "CHEMBL.TARGET:CHEMBL3885632", "category": ["biolink:MacromolecularComplex"], "name": "Retinoic acid receptor RXR-alpha/Vitamin D3 receptor"}
{"id": "CHEMBL.TARGET:CHEMBL3885633", "category": ["biolink:MacromolecularComplex"], "name": "Retinoic acid receptor RXR-alpha/gamma"}
{"name": "Signal transducer and activator of transcription 3", "xref": ["CHEMBL.TARGET:CHEMBL5402"], "id": "UniProtKB:P42227", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885638", "category": ["biolink:MacromolecularComplex"], "name": "Signal transducer and activator of transcription 1/ 3"}
{"name": "Signal transducer and activator of transcription 1", "xref": ["CHEMBL.TARGET:CHEMBL1667670"], "id": "UniProtKB:P42225", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-2", "id": "UniProtKB:P06686", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885640", "category": ["biolink:MacromolecularComplex"], "name": "Sodium/potassium-transporting ATPase subunit alpha-2/alpha-3"}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-3", "id": "UniProtKB:P06687", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Solute carrier family 12 member 2", "xref": ["CHEMBL.TARGET:CHEMBL1615383"], "id": "UniProtKB:P55011", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885641", "category": ["biolink:MacromolecularComplex"], "name": "Solute carrier family 12 member 2/member 5"}
{"name": "Solute carrier family 12 member 5", "xref": ["CHEMBL.TARGET:CHEMBL1615384"], "id": "UniProtKB:Q9H2X9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885643", "category": ["biolink:MacromolecularComplex"], "name": "Toll-like receptor 1/2"}
{"name": "Toll-like receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3714412"], "id": "UniProtKB:Q15399", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885644", "category": ["biolink:MacromolecularComplex"], "name": "Toll-like receptor 1/2"}
{"name": "Toll-like receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL2146338"], "id": "UniProtKB:Q9EPQ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Tryptophan synthase beta chain", "id": "UniProtKB:P0A879", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.TARGET:CHEMBL3885646", "category": ["biolink:MacromolecularComplex"], "name": "Tryptophan synthase alpha /beta chains"}
{"name": "Tryptophan synthase alpha chain", "id": "UniProtKB:P0A877", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Urease subunit beta", "id": "UniProtKB:P69996", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:85962"]}
{"id": "CHEMBL.TARGET:CHEMBL3885651", "category": ["biolink:MacromolecularComplex"], "name": "Urease subunit alpha/Urease subunit beta"}
{"name": "Urease subunit alpha", "id": "UniProtKB:P14916", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:85962"]}
{"id": "CHEMBL.TARGET:CHEMBL3885653", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1"}
{"name": "Voltage-dependent N-type calcium channel subunit alpha-1B", "xref": ["CHEMBL.TARGET:CHEMBL5107"], "id": "UniProtKB:Q02294", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Voltage-dependent L-type calcium channel subunit beta-1", "id": "UniProtKB:P54283", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Casein kinase II subunit beta", "id": "UniProtKB:P67868", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL3988628", "category": ["biolink:MacromolecularComplex"], "name": "Casein kinase 2"}
{"name": "Casein kinase II subunit alpha", "id": "UniProtKB:P68399", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Casein kinase II subunit beta", "id": "UniProtKB:P67874", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3988629", "category": ["biolink:MacromolecularComplex"], "name": "Casein kinase 2"}
{"name": "Casein kinase II subunit alpha", "id": "UniProtKB:P19139", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Potassium voltage-gated channel subfamily A member 1", "xref": ["CHEMBL.TARGET:CHEMBL2309"], "id": "UniProtKB:Q09470", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3988636", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-gated potassium channel subfamily A member 1/beta-1"}
{"name": "Voltage-gated potassium channel subunit beta-1", "xref": ["CHEMBL.TARGET:CHEMBL5884"], "id": "UniProtKB:Q14722", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3988638", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b"}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1C", "xref": ["CHEMBL.TARGET:CHEMBL1940"], "id": "UniProtKB:Q13936", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent L-type calcium channel subunit beta-1", "id": "UniProtKB:Q02641", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent calcium channel subunit alpha-2/delta-2", "id": "UniProtKB:Q8CFG6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3988639", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-dependent N-type calcium channel alpha1B/alpha2b/beta1b"}
{"id": "CHEMBL.TARGET:CHEMBL3988640", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-dependent P/Q-type calcium channel alpha1A/alpha2delta/beta1b"}
{"name": "Tripartite terminase subunit 1", "id": "UniProtKB:P16724", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10360"]}
{"name": "Tripartite terminase subunit 2", "id": "UniProtKB:P16792", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10360"]}
{"name": "Tripartite terminase subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL4879551"], "id": "UniProtKB:P16732", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10360"]}
{"name": "DNA gyrase subunit B", "id": "UniProtKB:P0DG04", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:198466"]}
{"name": "DNA gyrase subunit A", "id": "UniProtKB:P0DG02", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:198466"]}
{"name": "DNA topoisomerase 4 subunit A", "id": "UniProtKB:P0DG06", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:198466"]}
{"name": "DNA topoisomerase 4 subunit B", "id": "UniProtKB:A0A0H2UU62", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:198466"]}
{"name": "60 kDa heat shock protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4721"], "id": "UniProtKB:P10809", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106131", "category": ["biolink:MacromolecularComplex"], "name": "HSP60/HSP10"}
{"name": "10 kDa heat shock protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3808268"], "id": "UniProtKB:P61604", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol 3-kinase regulatory subunit alpha", "id": "UniProtKB:P26450", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106132", "category": ["biolink:MacromolecularComplex"], "name": "PI3K p110 alpha/p85 alpha"}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform", "xref": ["CHEMBL.TARGET:CHEMBL2499"], "id": "UniProtKB:P42337", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Transcription factor GATA-4", "xref": ["CHEMBL.TARGET:CHEMBL4105727"], "id": "UniProtKB:P46152", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4106133", "category": ["biolink:MacromolecularComplex"], "name": "GATA4/NKX2-5"}
{"name": "Homeobox protein Nkx-2.5", "xref": ["CHEMBL.TARGET:CHEMBL4105991"], "id": "UniProtKB:O35767", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4106134", "category": ["biolink:MacromolecularComplex"], "name": "FASN/HER2"}
{"name": "Fatty acid synthase", "xref": ["CHEMBL.TARGET:CHEMBL4158"], "id": "UniProtKB:P49327", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106135", "category": ["biolink:MacromolecularComplex"], "name": "RyR1/FKBP12"}
{"id": "CHEMBL.TARGET:CHEMBL4106136", "category": ["biolink:MacromolecularComplex"], "name": "DNA-PK/Ku70/Ku85"}
{"name": "X-ray repair cross-complementing protein 6", "xref": ["CHEMBL.TARGET:CHEMBL6066958"], "id": "UniProtKB:P12956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "X-ray repair cross-complementing protein 5", "xref": ["CHEMBL.TARGET:CHEMBL6066957"], "id": "UniProtKB:P13010", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor GATA-4", "xref": ["CHEMBL.TARGET:CHEMBL1687680"], "id": "UniProtKB:Q08369", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106137", "category": ["biolink:MacromolecularComplex"], "name": "GATA4/NKX2-5"}
{"name": "Homeobox protein Nkx-2.5", "xref": ["CHEMBL.TARGET:CHEMBL4105872"], "id": "UniProtKB:P42582", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106138", "category": ["biolink:MacromolecularComplex"], "name": "ATR/ATRIP"}
{"name": "ATR-interacting protein", "id": "UniProtKB:Q8WXE1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chaperonin GroEL", "id": "UniProtKB:Q548M1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.TARGET:CHEMBL4106139", "category": ["biolink:MacromolecularComplex"], "name": "GroEL/GroES"}
{"name": "Co-chaperonin GroES", "id": "UniProtKB:Q7BGE6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"name": "N6-adenosine-methyltransferase catalytic subunit", "synonym": ["N(6)-adenosine-methyltransferase catalytic subunit METTL3"], "xref": ["CHEMBL.TARGET:CHEMBL4739695"], "id": "UniProtKB:Q86U44", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106140", "category": ["biolink:MacromolecularComplex"], "name": "METTL3/METTL14"}
{"name": "N(6)-adenosine-methyltransferase non-catalytic subunit METTL14", "id": "UniProtKB:Q9HCE5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106141", "category": ["biolink:MacromolecularComplex"], "name": "Aurora-C/INCENP"}
{"id": "CHEMBL.TARGET:CHEMBL4106142", "category": ["biolink:MacromolecularComplex"], "name": "PI3K p110 delta/p85 alpha"}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform", "xref": ["CHEMBL.TARGET:CHEMBL2216745"], "id": "UniProtKB:O35904", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106143", "category": ["biolink:MacromolecularComplex"], "name": "BRD4/HDAC1"}
{"name": "Bromodomain-containing protein 4", "xref": ["CHEMBL.TARGET:CHEMBL1163125"], "id": "UniProtKB:O60885", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glycine receptor subunit alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL1075092"], "id": "UniProtKB:O75311", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106144", "category": ["biolink:MacromolecularComplex"], "name": "Glycine receptor alpha-3/beta"}
{"id": "CHEMBL.TARGET:CHEMBL4106145", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon"}
{"name": "Acetylcholine receptor subunit epsilon", "xref": ["CHEMBL.TARGET:CHEMBL2484"], "id": "UniProtKB:Q04844", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106146", "category": ["biolink:MacromolecularComplex"], "name": "NIcotinic acetylcholine receptor alpha-3/beta-4/alpha-5"}
{"name": "Neuronal acetylcholine receptor subunit alpha-5", "id": "UniProtKB:P20420", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL3010"], "id": "UniProtKB:P06685", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4106147", "category": ["biolink:MacromolecularComplex"], "name": "Na+/K+ ATPase alpha-1/beta-1"}
{"name": "Sodium/potassium-transporting ATPase subunit beta-1", "id": "UniProtKB:P07340", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4106148", "category": ["biolink:MacromolecularComplex"], "name": "Na+/K+ ATPase alpha-2/beta-1"}
{"id": "CHEMBL.TARGET:CHEMBL4106149", "category": ["biolink:MacromolecularComplex"], "name": "Na+/K+ ATPase alpha-3/beta-1"}
{"id": "CHEMBL.TARGET:CHEMBL4106150", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-V/beta-3/alpha-V/beta-5"}
{"id": "CHEMBL.TARGET:CHEMBL4106151", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor alpha-1/beta-3"}
{"id": "CHEMBL.TARGET:CHEMBL4106152", "category": ["biolink:MacromolecularComplex"], "name": "CDK2/Cyclin O"}
{"name": "Cyclin-O", "xref": ["CHEMBL.TARGET:CHEMBL4105895"], "id": "UniProtKB:P22674", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106153", "category": ["biolink:MacromolecularComplex"], "name": "CDK2/Bovine cyclin A"}
{"name": "Cyclin-A2", "id": "UniProtKB:P30274", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL4106155", "category": ["biolink:MacromolecularComplex"], "name": "Ionotropic glutamate receptor NMDA1/2B"}
{"id": "CHEMBL.TARGET:CHEMBL4106156", "category": ["biolink:MacromolecularComplex"], "name": "Ionotropic glutamate receptor NMDA1/2A/2B"}
{"id": "CHEMBL.TARGET:CHEMBL4106157", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor alpha-4/beta-3/delta"}
{"name": "Aldehyde oxidase", "xref": ["CHEMBL.TARGET:CHEMBL3257"], "id": "UniProtKB:Q06278", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106158", "category": ["biolink:MacromolecularComplex"], "name": "AMP-activated protein kinase alpha-2/beta-2/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL4106159", "category": ["biolink:MacromolecularComplex"], "name": "AMP-activated protein kinase alpha-2/beta-1/gamma-3"}
{"id": "CHEMBL.TARGET:CHEMBL4106160", "category": ["biolink:MacromolecularComplex"], "name": "N-type calcium channel alpha-1b/alpha2delta-1/beta-1b"}
{"name": "Cyclin-dependent kinase 18", "xref": ["CHEMBL.TARGET:CHEMBL5316"], "id": "UniProtKB:Q07002", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106161", "category": ["biolink:MacromolecularComplex"], "name": "CDK18/Cyclin Y"}
{"id": "CHEMBL.TARGET:CHEMBL4106162", "category": ["biolink:MacromolecularComplex"], "name": "AMP-activated protein kinase alpha-1/beta-2/gamma-3"}
{"id": "CHEMBL.TARGET:CHEMBL4106163", "category": ["biolink:MacromolecularComplex"], "name": "AMP-activated protein kinase alpha-1/beta-2/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL4106164", "category": ["biolink:MacromolecularComplex"], "name": "L-type calcium channel alpha-1c/beta-2/alpha2delta-1"}
{"name": "Voltage-dependent L-type calcium channel subunit beta-2", "xref": ["CHEMBL.TARGET:CHEMBL3317336"], "id": "UniProtKB:Q08289", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-4", "xref": ["CHEMBL.TARGET:CHEMBL2485"], "id": "UniProtKB:Q64541", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4106165", "category": ["biolink:MacromolecularComplex"], "name": "N+/K+ ATPase alpha-4/beta-1"}
{"name": "Sodium/potassium-transporting ATPase subunit beta-3", "id": "UniProtKB:Q63377", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4106166", "category": ["biolink:MacromolecularComplex"], "name": "N+/K+ ATPase alpha-4/beta-3"}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform", "xref": ["CHEMBL.TARGET:CHEMBL4739696"], "id": "UniProtKB:Q8BTI9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106167", "category": ["biolink:MacromolecularComplex"], "name": "PI3K p110 beta/p85 beta"}
{"name": "Phosphatidylinositol 3-kinase regulatory subunit beta", "id": "UniProtKB:O08908", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106168", "category": ["biolink:MacromolecularComplex"], "name": "PI3K p110 beta/p85 alpha"}
{"id": "CHEMBL.TARGET:CHEMBL4106169", "category": ["biolink:MacromolecularComplex"], "name": "CDK12/Cyclin K"}
{"name": "Cyclin-dependent kinase 12", "xref": ["CHEMBL.TARGET:CHEMBL3559692"], "id": "UniProtKB:Q9NYV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106189", "category": ["biolink:MacromolecularComplex"], "name": "BRAF/CRAF"}
{"id": "CHEMBL.TARGET:CHEMBL4296044", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/delta"}
{"id": "CHEMBL.TARGET:CHEMBL4296045", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit beta-1/beta-2"}
{"id": "CHEMBL.TARGET:CHEMBL4296046", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/delta"}
{"id": "CHEMBL.TARGET:CHEMBL4296047", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL4296048", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-4", "xref": ["CHEMBL.TARGET:CHEMBL292"], "id": "UniProtKB:P28471", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4296049", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-4/beta-3"}
{"name": "Gamma-aminobutyric acid receptor subunit delta", "id": "UniProtKB:P18506", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4296050", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta"}
{"id": "CHEMBL.TARGET:CHEMBL4296051", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL4296052", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-6/beta-3"}
{"id": "CHEMBL.TARGET:CHEMBL4296053", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/delta"}
{"id": "CHEMBL.TARGET:CHEMBL4296054", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL4296055", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-6/beta-2"}
{"id": "CHEMBL.TARGET:CHEMBL4296056", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/delta"}
{"id": "CHEMBL.TARGET:CHEMBL4296057", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-5/beta-3"}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-2", "id": "UniProtKB:P22723", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296058", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL3139"], "id": "UniProtKB:P62812", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta-3", "id": "UniProtKB:P63080", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296059", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2"}
{"name": "Gamma-aminobutyric acid receptor subunit beta-2", "id": "UniProtKB:P63137", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296060", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/beta-3"}
{"id": "CHEMBL.TARGET:CHEMBL4296061", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/delta"}
{"id": "CHEMBL.TARGET:CHEMBL4296062", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL4296063", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/beta-2"}
{"id": "CHEMBL.TARGET:CHEMBL4296064", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-2/beta-3"}
{"id": "CHEMBL.TARGET:CHEMBL4296065", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 1/ G1/S-specific cyclin-D3"}
{"id": "CHEMBL.TARGET:CHEMBL4296066", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 1/Cyclin A1"}
{"name": "Cyclin-dependent kinase 13", "xref": ["CHEMBL.TARGET:CHEMBL1795192"], "id": "UniProtKB:Q14004", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296067", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 13/Cyclin-K"}
{"name": "Cyclin-dependent kinase 8", "xref": ["CHEMBL.TARGET:CHEMBL5169178"], "id": "UniProtKB:Q8R3L8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296068", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 8/Cyclin-C"}
{"name": "Cyclin-C", "id": "UniProtKB:Q62447", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Integrin subunit alpha 2b", "id": "UniProtKB:D3ZAC0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4296069", "category": ["biolink:MacromolecularComplex"], "name": "Integrin subunit alpha 2b/beta-3"}
{"name": "Integrin beta-3", "id": "UniProtKB:Q8R2H2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Glycine receptor subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL5871"], "id": "UniProtKB:P23416", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296075", "category": ["biolink:MacromolecularComplex"], "name": "Glycine receptor subunit alpha-2/beta"}
{"id": "CHEMBL.TARGET:CHEMBL4296076", "category": ["biolink:MacromolecularComplex"], "name": "Coagulation factor IX/VIII"}
{"name": "Heat shock protein HSP 90-alpha", "xref": ["CHEMBL.TARGET:CHEMBL3880"], "id": "UniProtKB:P07900", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296080", "category": ["biolink:MacromolecularComplex"], "name": "Heat shock protein HSP 90-alpha/Hsp90 co-chaperone Cdc37"}
{"name": "Hsp90 co-chaperone Cdc37", "xref": ["CHEMBL.TARGET:CHEMBL1795123"], "id": "UniProtKB:Q16543", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heat shock protein HSP 90-beta", "xref": ["CHEMBL.TARGET:CHEMBL4303"], "id": "UniProtKB:P08238", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296081", "category": ["biolink:MacromolecularComplex"], "name": "Heat shock protein HSP 90-beta/Hsp90 co-chaperone Cdc37"}
{"id": "CHEMBL.TARGET:CHEMBL4296082", "category": ["biolink:MacromolecularComplex"], "name": "Toll-like receptor 4/Ly96"}
{"id": "CHEMBL.TARGET:CHEMBL4296083", "category": ["biolink:MacromolecularComplex"], "name": "Short transient receptor potential channel 1 & 3/Stromal interaction molecule 1/Calcium release-activated calcium channel protein 1"}
{"name": "Short transient receptor potential channel 3", "xref": ["CHEMBL.TARGET:CHEMBL2417348"], "id": "UniProtKB:Q13507", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Short transient receptor potential channel 1", "id": "UniProtKB:P48995", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296084", "category": ["biolink:MacromolecularComplex"], "name": "Stromal interaction molecule 1 & 2/Calcium release-activated calcium channel protein 1"}
{"name": "Stromal interaction molecule 2", "id": "UniProtKB:Q9P246", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium release-activated calcium channel protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295887"], "id": "UniProtKB:Q8BWG9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296085", "category": ["biolink:MacromolecularComplex"], "name": "Stromal interaction molecule 1 & 2/Calcium release-activated calcium channel protein 1"}
{"name": "Stromal interaction molecule 1", "id": "UniProtKB:P70302", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Stromal interaction molecule 2", "id": "UniProtKB:P83093", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296086", "category": ["biolink:MacromolecularComplex"], "name": "Cacna1b/Cacnb3"}
{"id": "CHEMBL.TARGET:CHEMBL4296087", "category": ["biolink:MacromolecularComplex"], "name": "5-hydroxytryptamine receptor 3A/3E"}
{"name": "5-hydroxytryptamine receptor 3E", "id": "UniProtKB:A5X5Y0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium/calmodulin-dependent protein kinase type II subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL2359"], "id": "UniProtKB:P11275", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4296089", "category": ["biolink:MacromolecularComplex"], "name": "CaM kinase II alpha/beta"}
{"name": "Calcium/calmodulin-dependent protein kinase type II subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL2610"], "id": "UniProtKB:P08413", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Calcium/calmodulin-dependent protein kinase type II subunit delta", "id": "UniProtKB:P15791", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4296090", "category": ["biolink:MacromolecularComplex"], "name": "CaM kinase II delta/gamma"}
{"name": "Calcium/calmodulin-dependent protein kinase type II subunit gamma", "xref": ["CHEMBL.TARGET:CHEMBL5109"], "id": "UniProtKB:P11730", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4296091", "category": ["biolink:MacromolecularComplex"], "name": "5-hydroxytryptamine receptor 3A/3C"}
{"name": "5-hydroxytryptamine receptor 3C", "id": "UniProtKB:Q8WXA8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inhibitor of nuclear factor kappa-B kinase subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL5380"], "id": "UniProtKB:Q60680", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296092", "category": ["biolink:MacromolecularComplex"], "name": "Inhibitor of nuclear factor kappa-B kinase subunit alpha/beta"}
{"name": "Inhibitor of nuclear factor kappa-B kinase subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL6012"], "id": "UniProtKB:O88351", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Adenomatous polyposis coli protein", "xref": ["CHEMBL.TARGET:CHEMBL3233"], "id": "UniProtKB:P25054", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296093", "category": ["biolink:MacromolecularComplex"], "name": "APC/Asef"}
{"name": "Rho guanine nucleotide exchange factor 4", "id": "UniProtKB:Q9NR80", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear factor erythroid 2-related factor 2", "xref": ["CHEMBL.TARGET:CHEMBL1075141"], "id": "UniProtKB:O54968", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4296095", "category": ["biolink:MacromolecularComplex"], "name": "KEAP1/NRF2"}
{"name": "Kelch-like ECH-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4523596"], "id": "UniProtKB:P57790", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4296096", "category": ["biolink:MacromolecularComplex"], "name": "D(2) dopamine receptor/Metabotropic glutamate receptor 5"}
{"name": "DNA ligase 4", "xref": ["CHEMBL.TARGET:CHEMBL4523595"], "id": "UniProtKB:P49917", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296097", "category": ["biolink:MacromolecularComplex"], "name": "LIG4/XRCC4"}
{"name": "DNA repair protein XRCC4", "id": "UniProtKB:Q13426", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuronal calcium sensor 1", "xref": ["CHEMBL.TARGET:CHEMBL4295788"], "id": "UniProtKB:P62166", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296100", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal calcium sensor 1/Synembryn-A"}
{"name": "Chaperone Ric-8A", "id": "UniProtKB:Q9NPQ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296102", "category": ["biolink:MacromolecularComplex"], "name": "Cereblon/Casein kinase I alpha"}
{"id": "CHEMBL.TARGET:CHEMBL4296103", "category": ["biolink:MacromolecularComplex"], "name": "Cereblon/Ikaros"}
{"name": "DNA-binding protein Ikaros", "xref": ["CHEMBL.TARGET:CHEMBL4739685"], "id": "UniProtKB:Q13422", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296106", "category": ["biolink:MacromolecularComplex"], "name": "PIK3CG/PIK3R1"}
{"name": "Sharpin", "id": "UniProtKB:Q9H0F6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296109", "category": ["biolink:MacromolecularComplex"], "name": "Sharpin/RBCK1/RNF31"}
{"name": "RanBP-type and C3HC4-type zinc finger-containing protein 1", "id": "UniProtKB:Q9BYM8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase RNF31", "xref": ["CHEMBL.TARGET:CHEMBL5465546"], "id": "UniProtKB:Q96EP0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296110", "category": ["biolink:MacromolecularComplex"], "name": "GRIA1/CACNG8"}
{"name": "Voltage-dependent calcium channel gamma-8 subunit", "id": "UniProtKB:Q8WXS5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296111", "category": ["biolink:MacromolecularComplex"], "name": "GRIA1/CACNG2"}
{"name": "Voltage-dependent calcium channel gamma-2 subunit", "id": "UniProtKB:Q9Y698", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296112", "category": ["biolink:MacromolecularComplex"], "name": "HDAC1/REST corepressor 3"}
{"name": "REST corepressor 3", "id": "UniProtKB:Q9P2K3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase PAK 1", "xref": ["CHEMBL.TARGET:CHEMBL4600"], "id": "UniProtKB:Q13153", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296113", "category": ["biolink:MacromolecularComplex"], "name": "PAK 1/CDC42"}
{"name": "Cell division control protein 42 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6088"], "id": "UniProtKB:P60953", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296114", "category": ["biolink:MacromolecularComplex"], "name": "Lysine-specific histone demethylase 1A/REST corepressor"}
{"name": "Cyclin-dependent kinase 14", "xref": ["CHEMBL.TARGET:CHEMBL6162"], "id": "UniProtKB:O94921", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296115", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 14/Cyclin-Y"}
{"name": "Period circadian protein homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL3751648"], "id": "UniProtKB:O15055", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296116", "category": ["biolink:MacromolecularComplex"], "name": "CRY2/PER2"}
{"name": "Cryptochrome-2", "id": "UniProtKB:Q49AN0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296117", "category": ["biolink:MacromolecularComplex"], "name": "von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A"}
{"name": "Regulatory-associated protein of mTOR", "xref": ["CHEMBL.TARGET:CHEMBL3120040"], "id": "UniProtKB:Q8N122", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Target of rapamycin complex subunit LST8", "xref": ["CHEMBL.TARGET:CHEMBL6067530"], "id": "UniProtKB:Q9BVC4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296662", "category": ["biolink:MacromolecularComplex"], "name": "mTOR/FKBP12A/FKBP12B"}
{"name": "Peptidyl-prolyl cis-trans isomerase FKBP1B", "xref": ["CHEMBL.TARGET:CHEMBL2430"], "id": "UniProtKB:P68106", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523605", "category": ["biolink:MacromolecularComplex"], "name": "C5a anaphylatoxin chemotactic receptor 1/2"}
{"name": "C5a anaphylatoxin chemotactic receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4523478"], "id": "UniProtKB:Q9P296", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523607", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor subunit alpha-6/beta-4"}
{"id": "CHEMBL.TARGET:CHEMBL4523611", "category": ["biolink:MacromolecularComplex"], "name": "KCNQ4/KCNQ5"}
{"id": "CHEMBL.TARGET:CHEMBL4523613", "category": ["biolink:MacromolecularComplex"], "name": "KCNMA1/KCNMB4"}
{"name": "Calcium-activated potassium channel subunit beta-4", "xref": ["CHEMBL.TARGET:CHEMBL4523376"], "id": "UniProtKB:Q86W47", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523617", "category": ["biolink:MacromolecularComplex"], "name": "Prkaa1/Prkab2/Prkag1"}
{"name": "5'-AMP-activated protein kinase subunit beta-2", "id": "UniProtKB:Q9QZH4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Tyrosine-protein kinase JAK1", "xref": ["CHEMBL.TARGET:CHEMBL2968"], "id": "UniProtKB:P52332", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4523618", "category": ["biolink:MacromolecularComplex"], "name": "JAK1/TYK2"}
{"name": "Non-receptor tyrosine-protein kinase TYK2", "xref": ["CHEMBL.TARGET:CHEMBL2321619"], "id": "UniProtKB:Q9R117", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Eukaryotic translation initiation factor 4E", "xref": ["CHEMBL.TARGET:CHEMBL4848"], "id": "UniProtKB:P06730", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523621", "category": ["biolink:MacromolecularComplex"], "name": "EIF4E/EIF4G1"}
{"name": "Eukaryotic translation initiation factor 4 gamma 1", "xref": ["CHEMBL.TARGET:CHEMBL1741197"], "id": "UniProtKB:Q04637", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523628", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-V/Integrin beta-5"}
{"name": "Integrin beta-5", "id": "UniProtKB:O70309", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4523630", "category": ["biolink:MacromolecularComplex"], "name": "CDC7/Cyclin B1"}
{"id": "CHEMBL.TARGET:CHEMBL4523631", "category": ["biolink:MacromolecularComplex"], "name": "CDK9/Cyclin-T2"}
{"name": "Cyclin-T2", "xref": ["CHEMBL.TARGET:CHEMBL1293321"], "id": "UniProtKB:O60583", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523632", "category": ["biolink:MacromolecularComplex"], "name": "CDK9/Cyclin-H"}
{"id": "CHEMBL.TARGET:CHEMBL4523633", "category": ["biolink:MacromolecularComplex"], "name": "CDK2/Cyclin-E2"}
{"id": "CHEMBL.TARGET:CHEMBL4523634", "category": ["biolink:MacromolecularComplex"], "name": "CDK2/Cyclin-Y"}
{"id": "CHEMBL.TARGET:CHEMBL4523635", "category": ["biolink:MacromolecularComplex"], "name": "CDK3/Cyclin-E2"}
{"id": "CHEMBL.TARGET:CHEMBL4523636", "category": ["biolink:MacromolecularComplex"], "name": "CDK17/Cyclin-A2"}
{"name": "Cyclin-dependent kinase 17", "xref": ["CHEMBL.TARGET:CHEMBL5790"], "id": "UniProtKB:Q00537", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523637", "category": ["biolink:MacromolecularComplex"], "name": "CDK17/Cyclin-Y"}
{"id": "CHEMBL.TARGET:CHEMBL4523638", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL4523639", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta"}
{"id": "CHEMBL.TARGET:CHEMBL4523640", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL4523641", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2"}
{"name": "Transforming protein RhoA", "xref": ["CHEMBL.TARGET:CHEMBL6052"], "id": "UniProtKB:P61586", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523642", "category": ["biolink:MacromolecularComplex"], "name": "Rho GEF 11/Transforming protein RhoA"}
{"name": "Rho guanine nucleotide exchange factor 11", "id": "UniProtKB:O15085", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523643", "category": ["biolink:MacromolecularComplex"], "name": "A-kinase anchor protein 13/Transforming protein RhoA"}
{"name": "A-kinase anchor protein 13", "id": "UniProtKB:Q12802", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase N1", "xref": ["CHEMBL.TARGET:CHEMBL3384"], "id": "UniProtKB:Q16512", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523644", "category": ["biolink:MacromolecularComplex"], "name": "Serine/threonine-protein kinase N1/Transforming protein RhoA"}
{"id": "CHEMBL.TARGET:CHEMBL4523645", "category": ["biolink:MacromolecularComplex"], "name": "RhoGEF 1/Transforming protein RhoA"}
{"name": "Rho guanine nucleotide exchange factor 1", "xref": ["CHEMBL.TARGET:CHEMBL4295918"], "id": "UniProtKB:Q92888", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523646", "category": ["biolink:MacromolecularComplex"], "name": "Rho GTPase-activating protein 35/Transforming protein RhoA"}
{"name": "Rho GTPase-activating protein 35", "id": "UniProtKB:Q9NRY4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523647", "category": ["biolink:MacromolecularComplex"], "name": "Rho GEF 12/Transforming protein RhoA"}
{"name": "Rho guanine nucleotide exchange factor 12", "xref": ["CHEMBL.TARGET:CHEMBL4523477"], "id": "UniProtKB:Q9NZN5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523648", "category": ["biolink:MacromolecularComplex"], "name": "Protein diaphanous homolog 1/Transforming protein RhoA"}
{"name": "Protein diaphanous homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL4295668"], "id": "UniProtKB:O60610", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523649", "category": ["biolink:MacromolecularComplex"], "name": "Rho-associated protein kinase 2/Transforming protein RhoA"}
{"id": "CHEMBL.TARGET:CHEMBL4523650", "category": ["biolink:MacromolecularComplex"], "name": "Proto-oncogene DBL/Transforming protein RhoA"}
{"name": "Proto-oncogene DBL", "id": "UniProtKB:P10911", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Antigen peptide transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL4523275"], "id": "UniProtKB:Q03518", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523654", "category": ["biolink:MacromolecularComplex"], "name": "Antigen peptide transporter 1/2"}
{"name": "Antigen peptide transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL6067543"], "id": "UniProtKB:Q03519", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NEDD8-conjugating enzyme Ubc12", "xref": ["CHEMBL.TARGET:CHEMBL4295787"], "id": "UniProtKB:P61081", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523656", "category": ["biolink:MacromolecularComplex"], "name": "NEDD8/NEDD8-conjugating enzyme Ubc12"}
{"name": "NEDD8", "synonym": ["Ubiquitin-like protein NEDD8"], "xref": ["CHEMBL.TARGET:CHEMBL4295831"], "id": "UniProtKB:Q15843", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclic nucleotide-gated channel alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL4523272"], "id": "UniProtKB:Q00195", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4523657", "category": ["biolink:MacromolecularComplex"], "name": "CNGA2/CNGA4/CNGB1"}
{"name": "Cyclic nucleotide-gated channel alpha-4", "id": "UniProtKB:Q64359", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Cyclic nucleotide-gated channel beta subunit", "id": "UniProtKB:O35788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4523658", "category": ["biolink:MacromolecularComplex"], "name": "CHRNA1/CHRNB1/CHRNG/CHRND"}
{"name": "Acetylcholine receptor subunit gamma", "id": "UniProtKB:P18916", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Short transient receptor potential channel 5", "xref": ["CHEMBL.TARGET:CHEMBL1250411"], "id": "UniProtKB:Q9UL62", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523660", "category": ["biolink:MacromolecularComplex"], "name": "TRPC1/TRPC5"}
{"name": "Short transient receptor potential channel 4", "xref": ["CHEMBL.TARGET:CHEMBL4295971"], "id": "UniProtKB:Q9UBN4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523661", "category": ["biolink:MacromolecularComplex"], "name": "TRPC4/TRPC1"}
{"name": "Short transient receptor potential channel 6", "xref": ["CHEMBL.TARGET:CHEMBL2417347"], "id": "UniProtKB:Q9Y210", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523662", "category": ["biolink:MacromolecularComplex"], "name": "TRPC3/TRPC6"}
{"name": "Calcium-activated potassium channel subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL5505"], "id": "UniProtKB:Q62976", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4523667", "category": ["biolink:MacromolecularComplex"], "name": "KCNMA1/KCNMB4"}
{"name": "Calcium-activated potassium channel subunit beta-4", "id": "UniProtKB:Q9ESK8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium channel protein type 1 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL1845"], "id": "UniProtKB:P35498", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523668", "category": ["biolink:MacromolecularComplex"], "name": "SCN1A/SCN1B"}
{"name": "Sodium channel regulatory subunit beta-1", "xref": ["CHEMBL.TARGET:CHEMBL5487"], "id": "UniProtKB:Q07699", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523669", "category": ["biolink:MacromolecularComplex"], "name": "SCN5A/SCN1B"}
{"id": "CHEMBL.TARGET:CHEMBL4523670", "category": ["biolink:MacromolecularComplex"], "name": "SCN9A/SCN1B"}
{"id": "CHEMBL.TARGET:CHEMBL4523671", "category": ["biolink:MacromolecularComplex"], "name": "SCN8A/SCN1B"}
{"id": "CHEMBL.TARGET:CHEMBL4523672", "category": ["biolink:MacromolecularComplex"], "name": "SCN2A/SCN1B"}
{"name": "RNA-directed RNA polymerase catalytic subunit", "id": "UniProtKB:P03431", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:211044"]}
{"name": "DNA helicase/primase complex-associated protein", "id": "UniProtKB:Q9J3N6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:341980"]}
{"name": "DNA primase", "id": "UniProtKB:Q4JQW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:341980"]}
{"name": "DNA replication helicase", "id": "UniProtKB:Q9J3N5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:341980"]}
{"name": "Multidrug resistance protein MexA", "id": "UniProtKB:P52477", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.TARGET:CHEMBL4523990", "category": ["biolink:MacromolecularComplex"], "name": "MexAB/OprM"}
{"name": "Multidrug resistance protein MexB", "id": "UniProtKB:P52002", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Outer membrane protein OprM", "id": "UniProtKB:Q51487", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.TARGET:CHEMBL4523991", "category": ["biolink:MacromolecularComplex"], "name": "MexXY/OprM"}
{"name": "MexX", "id": "UniProtKB:Q9ZNG9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"name": "Efflux pump membrane transporter", "id": "UniProtKB:Q9ZNG8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"id": "CHEMBL.TARGET:CHEMBL4523993", "category": ["biolink:MacromolecularComplex"], "name": "Programmed cell death protein 1/Programmed cell death 1 ligand 1"}
{"name": "Geranylgeranyl transferase type-2 subunit beta", "id": "UniProtKB:P53611", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523994", "category": ["biolink:MacromolecularComplex"], "name": "Geranylgeranyl transferase type-2"}
{"name": "Geranylgeranyl transferase type-2 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL5249"], "id": "UniProtKB:Q92696", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Geranylgeranyl transferase type-2 subunit beta", "id": "UniProtKB:Q08603", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4523995", "category": ["biolink:MacromolecularComplex"], "name": "Geranylgeranyl transferase type-2"}
{"name": "Geranylgeranyl transferase type-2 subunit alpha", "id": "UniProtKB:Q08602", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4523999", "category": ["biolink:MacromolecularComplex"], "name": "mTORC2"}
{"name": "Rapamycin-insensitive companion of mTOR", "xref": ["CHEMBL.TARGET:CHEMBL1795179"], "id": "UniProtKB:Q6R327", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Target of rapamycin complex 2 subunit MAPKAP1", "id": "UniProtKB:Q9BPZ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524000", "category": ["biolink:MacromolecularComplex"], "name": "I-kappa-B kinase"}
{"name": "NF-kappa-B essential modulator", "id": "UniProtKB:O88522", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Inhibitor of nuclear factor kappa-B kinase subunit beta", "id": "UniProtKB:Q9QY78", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4524001", "category": ["biolink:MacromolecularComplex"], "name": "I-kappa-B kinase"}
{"name": "Inhibitor of nuclear factor kappa-B kinase subunit alpha", "id": "UniProtKB:G3V926", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "NF-kappa-B essential modulator", "id": "UniProtKB:Q6TMG5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "DNA gyrase subunit A", "id": "UniProtKB:J2X497", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1162296"]}
{"id": "CHEMBL.TARGET:CHEMBL4524002", "category": ["biolink:MacromolecularComplex"], "name": "DNA gyrase"}
{"name": "DNA gyrase subunit B", "id": "UniProtKB:A0A080SQT2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:573"]}
{"name": "Beta-klotho", "id": "UniProtKB:Q86Z14", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA helicase/primase complex protein", "synonym": ["DNA primase"], "xref": ["CHEMBL.TARGET:CHEMBL4380"], "id": "UniProtKB:P10236", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "DNA replication helicase", "id": "UniProtKB:P10189", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "DNA helicase/primase complex-associated protein", "id": "UniProtKB:P10192", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "DNA primase", "id": "UniProtKB:P89471", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10315"]}
{"name": "DNA helicase/primase complex-associated protein", "id": "UniProtKB:P89431", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10315"]}
{"name": "DNA replication helicase", "id": "UniProtKB:P28277", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10315"]}
{"name": "Protein FosB", "xref": ["CHEMBL.TARGET:CHEMBL4630821"], "id": "UniProtKB:P53539", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4630755", "category": ["biolink:MacromolecularComplex"], "name": "Protein fosB/Transcription factor jun-D"}
{"name": "Transcription factor JunD", "xref": ["CHEMBL.TARGET:CHEMBL6067460"], "id": "UniProtKB:P17535", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Programmed cell death 1 ligand 1", "xref": ["CHEMBL.TARGET:CHEMBL4523448"], "id": "UniProtKB:Q9EP73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4630756", "category": ["biolink:MacromolecularComplex"], "name": "Programmed cell death protein 1/Programmed cell death 1 ligand 1"}
{"name": "Programmed cell death protein 1", "id": "UniProtKB:Q02242", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4630758", "category": ["biolink:MacromolecularComplex"], "name": "5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2"}
{"id": "CHEMBL.TARGET:CHEMBL4630760", "category": ["biolink:MacromolecularComplex"], "name": "Sodium channel protein type 1 subunit alpha/beta-1/beta-2"}
{"name": "Sodium channel regulatory subunit beta-2", "xref": ["CHEMBL.TARGET:CHEMBL5446"], "id": "UniProtKB:O60939", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium channel protein type 1 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4523103"], "id": "UniProtKB:A2APX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4630761", "category": ["biolink:MacromolecularComplex"], "name": "Sodium channel protein type 1 subunit alpha/beta-1/beta-2"}
{"name": "Sodium channel regulatory subunit beta-1", "id": "UniProtKB:P97952", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Sodium channel regulatory subunit beta-2", "id": "UniProtKB:Q56A07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4630762", "category": ["biolink:MacromolecularComplex"], "name": "Sodium channel protein type 4 subunit alpha/beta-1/beta-2"}
{"id": "CHEMBL.TARGET:CHEMBL4630763", "category": ["biolink:MacromolecularComplex"], "name": "Sodium channel protein type 5 subunit alpha/beta-1/beta-2"}
{"id": "CHEMBL.TARGET:CHEMBL4630764", "category": ["biolink:MacromolecularComplex"], "name": "Sodium channel protein type 5 subunit alpha/beta-1/beta-2"}
{"name": "Sodium channel protein type 5 subunit alpha", "id": "UniProtKB:Q9JJV9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4630765", "category": ["biolink:MacromolecularComplex"], "name": "Sodium channel protein type 9 subunit alpha/beta-1/beta-2"}
{"name": "Sodium channel protein type 9 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3414411"], "id": "UniProtKB:Q62205", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4630766", "category": ["biolink:MacromolecularComplex"], "name": "Sodium channel protein type 9 subunit alpha/beta-1/beta-2"}
{"name": "ATP-dependent Clp protease proteolytic subunit 1", "id": "UniProtKB:P9WPC5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.TARGET:CHEMBL4662931", "category": ["biolink:MacromolecularComplex"], "name": "ClpP1P2"}
{"name": "ATP-dependent Clp protease proteolytic subunit 2", "id": "UniProtKB:P9WPC3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Shiga-like toxin 2 subunit A", "id": "UniProtKB:P09385", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10730"]}
{"id": "CHEMBL.TARGET:CHEMBL4662932", "category": ["biolink:MacromolecularComplex"], "name": "Shiga toxin 2"}
{"name": "Shiga-like toxin 2 subunit B", "id": "UniProtKB:P09386", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10730"]}
{"name": "Nuclear cap-binding protein subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6066873"], "id": "UniProtKB:P52298", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear cap-binding protein subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL6066853"], "id": "UniProtKB:Q09161", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-1 receptor-like 2", "id": "UniProtKB:Q9HB29", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-1 receptor accessory protein", "id": "UniProtKB:Q9NPH3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-15 receptor subunit alpha", "id": "UniProtKB:Q13261", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta-1", "id": "UniProtKB:P08220", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL4680049", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor alpha-1/beta-1"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-1", "id": "UniProtKB:P08219", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL4802036", "category": ["biolink:MacromolecularComplex"], "name": "Fibroblast growth factor 1/Fibroblast growth factor receptor 2"}
{"name": "Interleukin-22 receptor subunit alpha-1", "id": "UniProtKB:Q8N6P7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-18 receptor accessory protein", "id": "UniProtKB:O95256", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-18 receptor 1", "id": "UniProtKB:Q13478", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-10 receptor subunit alpha", "id": "UniProtKB:Q13651", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-1 receptor-like 1", "id": "UniProtKB:Q01638", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4888443", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 3/Cyclin-C"}
{"id": "CHEMBL.TARGET:CHEMBL4888445", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor subunit alpha-6/alpha-3"}
{"id": "CHEMBL.TARGET:CHEMBL4888446", "category": ["biolink:MacromolecularComplex"], "name": "DNA damage-binding protein 1/Protein cereblon/E3 ubiquitin-protein ligase Mdm2"}
{"name": "Syntenin-1", "xref": ["CHEMBL.TARGET:CHEMBL4739667"], "id": "UniProtKB:O00560", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4888448", "category": ["biolink:MacromolecularComplex"], "name": "Syntenin-1/Syndecan-2"}
{"name": "Syndecan-2", "xref": ["CHEMBL.TARGET:CHEMBL6066914"], "id": "UniProtKB:P34741", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein orai-2", "id": "UniProtKB:Q96SN7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4888450", "category": ["biolink:MacromolecularComplex"], "name": "Protein orai-2/Stromal interaction molecule 1"}
{"id": "CHEMBL.TARGET:CHEMBL4888454", "category": ["biolink:MacromolecularComplex"], "name": "CDK2/Cyclin C"}
{"name": "Protein orai-3", "id": "UniProtKB:Q9BRQ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4888461", "category": ["biolink:MacromolecularComplex"], "name": "Stromal interaction molecule 1/Protein orai-3"}
{"id": "CHEMBL.TARGET:CHEMBL5291947", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/alpha-6/beta-3/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL5291948", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/alpha-1"}
{"id": "CHEMBL.TARGET:CHEMBL5291949", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-2/beta-1/gamma-2"}
{"id": "CHEMBL.TARGET:CHEMBL5291950", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit gamma-2/beta-3"}
{"id": "CHEMBL.TARGET:CHEMBL5291962", "category": ["biolink:MacromolecularComplex"], "name": "14-3-3 eta/c-RAF"}
{"name": "14-3-3 protein eta", "xref": ["CHEMBL.TARGET:CHEMBL3708585"], "id": "UniProtKB:Q04917", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291970", "category": ["biolink:MacromolecularComplex"], "name": "USP46/WDR48/WDR20"}
{"name": "Ubiquitin carboxyl-terminal hydrolase 46", "xref": ["CHEMBL.TARGET:CHEMBL6067588"], "id": "UniProtKB:P62068", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WD repeat-containing protein 20", "id": "UniProtKB:Q8TBZ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291972", "category": ["biolink:MacromolecularComplex"], "name": "JAK1/STAT1"}
{"name": "Signal transducer and activator of transcription 1-alpha/beta", "xref": ["CHEMBL.TARGET:CHEMBL6101"], "id": "UniProtKB:P42224", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291973", "category": ["biolink:MacromolecularComplex"], "name": "USP12/WDR48/WDR20"}
{"name": "Ubiquitin carboxyl-terminal hydrolase 12", "xref": ["CHEMBL.TARGET:CHEMBL6067593"], "id": "UniProtKB:O75317", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Autoinducer 2-binding periplasmic protein LuxP", "xref": ["CHEMBL.TARGET:CHEMBL6100"], "id": "UniProtKB:P54300", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:669"]}
{"id": "CHEMBL.TARGET:CHEMBL5291976", "category": ["biolink:MacromolecularComplex"], "name": "LuxP/Q"}
{"name": "Autoinducer 2 sensor kinase/phosphatase LuxQ", "id": "UniProtKB:P54302", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:669"]}
{"id": "CHEMBL.TARGET:CHEMBL5291978", "category": ["biolink:MacromolecularComplex"], "name": "Catenin beta-1/BCL9L"}
{"name": "B-cell CLL/lymphoma 9-like protein", "id": "UniProtKB:Q86UU0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Microsomal triglyceride transfer protein large subunit", "id": "UniProtKB:A0A8C0RR11", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Protein disulfide-isomerase", "id": "UniProtKB:A0A8C0PPD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.TARGET:CHEMBL5303741", "category": ["biolink:MacromolecularComplex"], "name": "Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2"}
{"name": "Potassium voltage-gated channel subfamily KQT member 1", "id": "UniProtKB:Q9Z0N7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL5305045", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK)"}
{"name": "Potassium voltage-gated channel subfamily E member 1", "id": "UniProtKB:P15383", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Amiloride-sensitive sodium channel subunit alpha", "synonym": ["Epithelial sodium channel subunit alpha"], "xref": ["CHEMBL.TARGET:CHEMBL3608200"], "id": "UniProtKB:Q61180", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5305061", "category": ["biolink:MacromolecularComplex"], "name": "Amiloride-sensitive sodium channel, ENaC"}
{"name": "Epithelial sodium channel subunit beta", "id": "UniProtKB:Q9WU38", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Epithelial sodium channel subunit gamma", "id": "UniProtKB:Q9WU39", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Transcriptional coactivator YAP1", "xref": ["CHEMBL.TARGET:CHEMBL3334415"], "id": "UniProtKB:P46937", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465250", "category": ["biolink:MacromolecularComplex"], "name": "YAP1-TEAD4"}
{"name": "Transcriptional enhancer factor TEF-3", "xref": ["CHEMBL.TARGET:CHEMBL4295828"], "id": "UniProtKB:Q15561", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465253", "category": ["biolink:MacromolecularComplex"], "name": "HAT1/Rbap46"}
{"name": "Histone acetyltransferase type B catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL4523128"], "id": "UniProtKB:O14929", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465380", "category": ["biolink:MacromolecularComplex"], "name": "MUS81-ECE1"}
{"name": "Structure-specific endonuclease subunit MUS81", "id": "UniProtKB:Q96NY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Endothelin-converting enzyme 2", "xref": ["CHEMBL.TARGET:CHEMBL5890"], "id": "UniProtKB:P0DPD6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465381", "category": ["biolink:MacromolecularComplex"], "name": "MUS81-ECE2"}
{"name": "Serine/threonine-protein kinase mTOR", "xref": ["CHEMBL.TARGET:CHEMBL1255165"], "id": "UniProtKB:Q9JLN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5465384", "category": ["biolink:MacromolecularComplex"], "name": "mTORC1"}
{"name": "Son of sevenless homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL2079846"], "id": "UniProtKB:Q07889", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465393", "category": ["biolink:MacromolecularComplex"], "name": "SOS1-KRAS"}
{"id": "CHEMBL.TARGET:CHEMBL5465394", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha1/beta2 complex"}
{"id": "CHEMBL.TARGET:CHEMBL5465395", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha4/beta7 complex"}
{"name": "Beta-2-microglobulin", "xref": ["CHEMBL.TARGET:CHEMBL1741302"], "id": "UniProtKB:P61769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465401", "category": ["biolink:MacromolecularComplex"], "name": "B2M-MR1"}
{"name": "Major histocompatibility complex class I-related protein 1", "id": "UniProtKB:Q95460", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5482983", "category": ["biolink:MacromolecularComplex"], "name": "JAK2-STAT3"}
{"name": "Signal transducer and activator of transcription 3", "xref": ["CHEMBL.TARGET:CHEMBL4026"], "id": "UniProtKB:P40763", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5482985", "category": ["biolink:MacromolecularComplex"], "name": "PD1-PDL2"}
{"name": "Guanylate cyclase soluble subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4105800"], "id": "UniProtKB:P19686", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL5482988", "category": ["biolink:MacromolecularComplex"], "name": "Soluble guanylate cyclase alpha1/beta1 complex"}
{"name": "Guanylate cyclase soluble subunit beta-1", "id": "UniProtKB:P20595", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL5482991", "category": ["biolink:MacromolecularComplex"], "name": "Prothrombinase complex"}
{"id": "CHEMBL.TARGET:CHEMBL5482994", "category": ["biolink:MacromolecularComplex"], "name": "GPR40-Galpha16"}
{"name": "Guanine nucleotide-binding protein subunit alpha-15", "id": "UniProtKB:P30679", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5482995", "category": ["biolink:MacromolecularComplex"], "name": "NRP2-VEGA"}
{"name": "Neuropilin-2", "xref": ["CHEMBL.TARGET:CHEMBL4295667"], "id": "UniProtKB:O60462", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5482996", "category": ["biolink:MacromolecularComplex"], "name": "VEGFR1-VEGA"}
{"id": "CHEMBL.TARGET:CHEMBL5482997", "category": ["biolink:MacromolecularComplex"], "name": "VEGFR2-VEGA"}
{"name": "Interleukin-17C", "id": "UniProtKB:Q9P0M4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483004", "category": ["biolink:MacromolecularComplex"], "name": "IL17-RE-IL-17C"}
{"name": "Interleukin-17 receptor E", "id": "UniProtKB:Q8NFR9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NKG2-D type II integral membrane protein", "id": "UniProtKB:P26718", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483005", "category": ["biolink:MacromolecularComplex"], "name": "NKGD2-MICA"}
{"name": "MHC class I polypeptide-related sequence A", "id": "UniProtKB:Q29983", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483006", "category": ["biolink:MacromolecularComplex"], "name": "NKGD2-ULBP6"}
{"name": "UL16-binding protein 6", "id": "UniProtKB:Q5VY80", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Golgi reassembly-stacking protein 2", "id": "UniProtKB:Q9H8Y8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483010", "category": ["biolink:MacromolecularComplex"], "name": "GRASP55-JAMB"}
{"name": "Junctional adhesion molecule B", "id": "UniProtKB:P57087", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol 3-kinase catalytic subunit type 3", "xref": ["CHEMBL.TARGET:CHEMBL1075165"], "id": "UniProtKB:Q8NEB9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483084", "category": ["biolink:MacromolecularComplex"], "name": "VPS15-VPS34"}
{"name": "Phosphoinositide 3-kinase regulatory subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL2189144"], "id": "UniProtKB:Q99570", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483086", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate NMDA receptor; GRIN1/GRIN2A/GRIN2B"}
{"id": "CHEMBL.TARGET:CHEMBL5483087", "category": ["biolink:MacromolecularComplex"], "name": "NRF2-MAFG"}
{"name": "Transcription factor MafG", "xref": ["CHEMBL.TARGET:CHEMBL5465260"], "id": "UniProtKB:O15525", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Multifunctional methyltransferase subunit TRM112-like protein", "xref": ["CHEMBL.TARGET:CHEMBL4295977"], "id": "UniProtKB:Q9UI30", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483089", "category": ["biolink:MacromolecularComplex"], "name": "METTL5-TRM112"}
{"name": "rRNA N(6)-adenosine-methyltransferase METTL5", "id": "UniProtKB:Q9NRN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA (cytosine-5)-methyltransferase 3A", "xref": ["CHEMBL.TARGET:CHEMBL3108652"], "id": "UniProtKB:O88508", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5483092", "category": ["biolink:MacromolecularComplex"], "name": "DNMT3A-DNMT3L"}
{"name": "DNA (cytosine-5)-methyltransferase 3-like", "id": "UniProtKB:Q9CWR8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5483181", "category": ["biolink:MacromolecularComplex"], "name": "CDK20/Cyclin H"}
{"name": "Cyclin-dependent kinase 20", "xref": ["CHEMBL.TARGET:CHEMBL3559690"], "id": "UniProtKB:Q8IZL9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-dependent kinase 15", "xref": ["CHEMBL.TARGET:CHEMBL5856"], "id": "UniProtKB:Q96Q40", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483184", "category": ["biolink:MacromolecularComplex"], "name": "CDK15/Cyclin Y"}
{"id": "CHEMBL.TARGET:CHEMBL5483185", "category": ["biolink:MacromolecularComplex"], "name": "CDK5/Cyclin D3"}
{"name": "Cyclin-dependent kinase 10", "xref": ["CHEMBL.TARGET:CHEMBL1795191"], "id": "UniProtKB:Q15131", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483186", "category": ["biolink:MacromolecularComplex"], "name": "CDK10/Cyclin L2"}
{"name": "Cyclin-L2", "xref": ["CHEMBL.TARGET:CHEMBL6067576"], "id": "UniProtKB:Q96S94", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-dependent kinase 11A", "xref": ["CHEMBL.TARGET:CHEMBL5416"], "id": "UniProtKB:Q9UQ88", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483187", "category": ["biolink:MacromolecularComplex"], "name": "CDK11A/Cyclin L2"}
{"name": "Cyclin-dependent kinase 11B", "xref": ["CHEMBL.TARGET:CHEMBL5808"], "id": "UniProtKB:P21127", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483188", "category": ["biolink:MacromolecularComplex"], "name": "CDK11B/Cyclin L2"}
{"name": "Pertussis toxin subunit 1", "id": "UniProtKB:P04977", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:257313"]}
{"name": "Pertussis toxin subunit 2", "id": "UniProtKB:P04978", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:257313"]}
{"name": "Pertussis toxin subunit 3", "id": "UniProtKB:P04979", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:257313"]}
{"name": "Pertussis toxin subunit 4", "id": "UniProtKB:P0A3R5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:257313"]}
{"name": "Pertussis toxin subunit 5", "id": "UniProtKB:P04981", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:257313"]}
{"id": "CHEMBL.TARGET:CHEMBL6066541", "category": ["biolink:MacromolecularComplex"], "name": "Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1"}
{"name": "Ribosomal RNA small subunit methyltransferase NEP1", "id": "UniProtKB:Q92979", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066542", "category": ["biolink:MacromolecularComplex"], "name": "Catenin beta-1/Protein Wnt-3a"}
{"name": "Protein Wnt-3a", "xref": ["CHEMBL.TARGET:CHEMBL1255137"], "id": "UniProtKB:P56704", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066543", "category": ["biolink:MacromolecularComplex"], "name": "Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2"}
{"name": "Serine/threonine-protein kinase BRSK2", "xref": ["CHEMBL.TARGET:CHEMBL4574"], "id": "UniProtKB:Q8IWQ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coagulation factor XIII B chain", "xref": ["CHEMBL.TARGET:CHEMBL3351193"], "id": "UniProtKB:P05160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066544", "category": ["biolink:MacromolecularComplex"], "name": "Coagulation factor XIII A/B chain"}
{"name": "Coagulation factor XIII A chain", "id": "UniProtKB:Q8BH61", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "G2/mitotic-specific cyclin-B", "id": "UniProtKB:P15206", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7609"]}
{"id": "CHEMBL.TARGET:CHEMBL6066545", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B"}
{"name": "Cyclin-dependent kinase 1", "id": "UniProtKB:Q9DGD3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8090"]}
{"id": "CHEMBL.TARGET:CHEMBL6066548", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor ionotropic, NMDA 1/2C/3B"}
{"name": "Glutamate receptor ionotropic, NMDA 3B", "id": "UniProtKB:O60391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066549", "category": ["biolink:MacromolecularComplex"], "name": "Histone acetyltransferase p300/Myocyte-specific enhancer factor 2D"}
{"name": "Myocyte-specific enhancer factor 2D", "id": "UniProtKB:Q14814", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066550", "category": ["biolink:MacromolecularComplex"], "name": "Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2"}
{"id": "CHEMBL.TARGET:CHEMBL6066551", "category": ["biolink:MacromolecularComplex"], "name": "Histone-binding protein RBBP4/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2"}
{"id": "CHEMBL.TARGET:CHEMBL6066554", "category": ["biolink:MacromolecularComplex"], "name": "Neprilysin/Angiotensin-converting enzyme"}
{"name": "Sentrin-specific protease 1", "xref": ["CHEMBL.TARGET:CHEMBL1909484"], "id": "UniProtKB:Q9P0U3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066555", "category": ["biolink:MacromolecularComplex"], "name": "Sentrin-specific protease 1/Small ubiquitin-related modifier 1"}
{"name": "Small ubiquitin-related modifier 1", "xref": ["CHEMBL.TARGET:CHEMBL2146296"], "id": "UniProtKB:P63165", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066556", "category": ["biolink:MacromolecularComplex"], "name": "Sentrin-specific protease 2/Small ubiquitin-related modifier 1"}
{"name": "Sentrin-specific protease 2", "xref": ["CHEMBL.TARGET:CHEMBL2176776"], "id": "UniProtKB:Q9HC62", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ubiquitin-related modifier 2", "xref": ["CHEMBL.TARGET:CHEMBL2146301"], "id": "UniProtKB:P61956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066557", "category": ["biolink:MacromolecularComplex"], "name": "Sentrin-specific protease 2/Small ubiquitin-related modifier 2"}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL1807"], "id": "UniProtKB:P05023", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066559", "category": ["biolink:MacromolecularComplex"], "name": "Sodium/potassium-transporting ATPase subunit alpha-1/beta-1"}
{"name": "Sodium/potassium-transporting ATPase beta-1 chain", "synonym": ["Sodium/potassium-transporting ATPase subunit beta-1"], "xref": ["CHEMBL.TARGET:CHEMBL2379"], "id": "UniProtKB:P05026", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066560", "category": ["biolink:MacromolecularComplex"], "name": "Sodium/potassium-transporting ATPase subunit alpha-2/beta-1"}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-2", "id": "UniProtKB:P50993", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium/potassium-transporting ATPase subunit beta-2", "id": "UniProtKB:P14415", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066561", "category": ["biolink:MacromolecularComplex"], "name": "Sodium/potassium-transporting ATPase subunit alpha-2/beta-2"}
{"id": "CHEMBL.TARGET:CHEMBL6066562", "category": ["biolink:MacromolecularComplex"], "name": "Sodium/potassium-transporting ATPase subunit alpha-2/beta-3"}
{"name": "Sodium/potassium-transporting ATPase beta-3 chain", "synonym": ["Sodium/potassium-transporting ATPase subunit beta-3"], "xref": ["CHEMBL.TARGET:CHEMBL3256"], "id": "UniProtKB:P54709", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066567", "category": ["biolink:MacromolecularComplex"], "name": "Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1"}
{"id": "CHEMBL.TARGET:CHEMBL6066568", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-5/beta-8"}
{"id": "CHEMBL.TARGET:CHEMBL6066569", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-5/alpha-8"}
{"name": "Integrin alpha-8", "id": "UniProtKB:P53708", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066570", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-5/beta-6"}
{"id": "CHEMBL.TARGET:CHEMBL6066571", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-5/beta-6/beta-8"}
{"id": "CHEMBL.TARGET:CHEMBL6066576", "category": ["biolink:MacromolecularComplex"], "name": "Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1"}
{"name": "Phorbol-12-myristate-13-acetate-induced protein 1", "id": "UniProtKB:Q13794", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066577", "category": ["biolink:MacromolecularComplex"], "name": "Histone acetyltransferase p300/Histone acetyltransferase type B catalytic subunit"}
{"name": "DNA topoisomerase 2-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3175"], "id": "UniProtKB:Q92547", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066578", "category": ["biolink:MacromolecularComplex"], "name": "ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR"}
{"id": "CHEMBL.TARGET:CHEMBL6066579", "category": ["biolink:MacromolecularComplex"], "name": "Apoptosis regulator Bcl-2/Beclin-1"}
{"name": "Beclin-1", "xref": ["CHEMBL.TARGET:CHEMBL4296010"], "id": "UniProtKB:Q14457", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone deacetylase 4", "xref": ["CHEMBL.TARGET:CHEMBL3524"], "id": "UniProtKB:P56524", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066585", "category": ["biolink:MacromolecularComplex"], "name": "Histone deacetylase 4/Myocyte-specific enhancer factor 2D"}
{"id": "CHEMBL.TARGET:CHEMBL6066586", "category": ["biolink:MacromolecularComplex"], "name": "Integrin alpha-8/beta-1"}
{"id": "CHEMBL.TARGET:CHEMBL6066587", "category": ["biolink:MacromolecularComplex"], "name": "Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12"}
{"name": "DNA-directed RNA polymerase II subunit RPB1", "id": "UniProtKB:P08775", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL6066856", "category": ["biolink:MacromolecularComplex"], "name": "RNA polymerase II"}
{"name": "DNA-directed RNA polymerase II subunit RPB2", "id": "UniProtKB:Q8CFI7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA-directed RNA polymerase II subunit RPB3", "id": "UniProtKB:P97760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Polymerase (RNA) II (DNA directed) polypeptide D", "id": "UniProtKB:A0A3Q4L2S8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA-directed RNA polymerases I, II, and III subunit RPABC1", "id": "UniProtKB:Q80UW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA-directed RNA polymerases I, II, and III subunit RPABC2", "id": "UniProtKB:P61219", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA-directed RNA polymerase II subunit RPB7", "id": "UniProtKB:P62488", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA-directed RNA polymerases I, II, and III subunit RPABC3", "id": "UniProtKB:Q923G2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA-directed RNA polymerase II subunit RPB9", "id": "UniProtKB:P60898", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA-directed RNA polymerase II subunit RPB11", "id": "UniProtKB:O08740", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA-directed RNA polymerases I, II, and III subunit RPABC4", "id": "UniProtKB:Q63871", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA-directed RNA polymerases I, II, and III subunit RPABC5", "id": "UniProtKB:P62876", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit pi", "id": "UniProtKB:O09028", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL1907607", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; anion channel"}
{"name": "Gamma-aminobutyric acid receptor subunit beta-1", "id": "UniProtKB:P15431", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-1", "xref": ["CHEMBL.TARGET:CHEMBL296"], "id": "UniProtKB:P23574", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-3", "id": "UniProtKB:P28473", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Gamma-aminobutyric acid receptor subunit theta", "id": "UniProtKB:Q91ZM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Gamma-aminobutyric acid receptor subunit epsilon", "id": "UniProtKB:Q9ES14", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL1907608", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate NMDA receptor"}
{"name": "Glutamate receptor ionotropic, NMDA 3B", "id": "UniProtKB:Q8VHN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Glutamate receptor ionotropic, NMDA 3A", "xref": ["CHEMBL.TARGET:CHEMBL342"], "id": "UniProtKB:Q9R1M7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2093871", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor ionotropic, AMPA"}
{"name": "Gamma-aminobutyric acid receptor subunit pi", "id": "UniProtKB:O00591", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-1", "id": "UniProtKB:Q8N1C3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor subunit epsilon", "id": "UniProtKB:P78334", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-2", "id": "UniProtKB:P10063", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2094107", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; anion channel"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-4", "id": "UniProtKB:P20237", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-3", "id": "UniProtKB:P10064", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-2", "id": "UniProtKB:P22300", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2094110", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor"}
{"name": "Neuronal acetylcholine receptor subunit alpha-7", "xref": ["CHEMBL.TARGET:CHEMBL4980"], "id": "UniProtKB:Q05941", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Glutamate receptor ionotropic, kainate 1", "xref": ["CHEMBL.TARGET:CHEMBL2919"], "id": "UniProtKB:P22756", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094119", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor ionotropic, kainate"}
{"name": "Glutamate receptor ionotropic, kainate 4", "xref": ["CHEMBL.TARGET:CHEMBL3044"], "id": "UniProtKB:Q01812", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Glutamate receptor ionotropic, kainate 3", "xref": ["CHEMBL.TARGET:CHEMBL3744"], "id": "UniProtKB:P42264", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Glutamate receptor ionotropic, NMDA 3A", "xref": ["CHEMBL.TARGET:CHEMBL4787"], "id": "UniProtKB:Q8TCU5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5-hydroxytryptamine receptor 3D", "id": "UniProtKB:Q70Z44", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-5", "xref": ["CHEMBL.TARGET:CHEMBL2304"], "id": "UniProtKB:Q8BHJ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2094133", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; anion channel"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-2", "id": "UniProtKB:P26048", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit pi", "id": "UniProtKB:Q8QZW7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta-1", "id": "UniProtKB:P50571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-1", "id": "UniProtKB:Q9R0Y8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit epsilon", "id": "UniProtKB:A2AMW3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit theta", "id": "UniProtKB:Q9JLF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-3", "id": "UniProtKB:P26049", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit delta", "id": "UniProtKB:P22933", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-4", "id": "UniProtKB:Q9D6F4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-3", "id": "UniProtKB:P27681", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-6", "id": "UniProtKB:P16305", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Nuclear factor NF-kappa-B p100 subunit", "xref": ["CHEMBL.TARGET:CHEMBL3003"], "id": "UniProtKB:Q00653", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear factor NF-kappa-B p105 subunit", "xref": ["CHEMBL.TARGET:CHEMBL3251"], "id": "UniProtKB:P19838", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor p65", "xref": ["CHEMBL.TARGET:CHEMBL5533"], "id": "UniProtKB:Q04206", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta-4B chain", "xref": ["CHEMBL.TARGET:CHEMBL1848"], "id": "UniProtKB:P68371", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta-1 chain", "xref": ["CHEMBL.TARGET:CHEMBL1915"], "id": "UniProtKB:Q9H4B7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin alpha-3C chain", "id": "UniProtKB:P0DPH7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin alpha-4A chain", "xref": ["CHEMBL.TARGET:CHEMBL2070"], "id": "UniProtKB:P68366", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta-3 chain", "xref": ["CHEMBL.TARGET:CHEMBL2597"], "id": "UniProtKB:Q13509", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin alpha-1A chain", "xref": ["CHEMBL.TARGET:CHEMBL3661"], "id": "UniProtKB:Q71U36", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta-4A chain", "xref": ["CHEMBL.TARGET:CHEMBL3838"], "id": "UniProtKB:P04350", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta-8 chain", "xref": ["CHEMBL.TARGET:CHEMBL4024"], "id": "UniProtKB:Q3ZCM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta-5 chain", "synonym": ["Tubulin beta chain"], "xref": ["CHEMBL.TARGET:CHEMBL5444"], "id": "UniProtKB:P07437", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin alpha-1B chain", "xref": ["CHEMBL.TARGET:CHEMBL3797010"], "id": "UniProtKB:P68363", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin alpha-1C chain", "xref": ["CHEMBL.TARGET:CHEMBL3797011"], "id": "UniProtKB:Q9BQE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin alpha-3E chain", "id": "UniProtKB:Q6PEY2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta-2A chain", "xref": ["CHEMBL.TARGET:CHEMBL3797012"], "id": "UniProtKB:Q13885", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta-2B chain", "xref": ["CHEMBL.TARGET:CHEMBL6067533"], "id": "UniProtKB:Q9BVA1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta-6 chain", "xref": ["CHEMBL.TARGET:CHEMBL6067532"], "id": "UniProtKB:Q9BUF5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-3", "id": "UniProtKB:P13637", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-4", "id": "UniProtKB:Q13733", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium/potassium-transporting ATPase subunit gamma", "id": "UniProtKB:P54710", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095191", "category": ["biolink:MacromolecularComplex"], "name": "Casein kinase II"}
{"name": "Ribonucleoside-diphosphate reductase subunit M2", "xref": ["CHEMBL.TARGET:CHEMBL1954"], "id": "UniProtKB:P31350", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095942", "category": ["biolink:MacromolecularComplex"], "name": "Cyclin-dependent kinase 4/cyclin D"}
{"name": "Glutamate receptor 2", "id": "UniProtKB:P23819", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2096617", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptor ionotropic, AMPA"}
{"name": "Glutamate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3502"], "id": "UniProtKB:P23818", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Glutamate receptor 4", "id": "UniProtKB:Q9Z2W8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Glutamate receptor 3", "id": "UniProtKB:Q9Z2W9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2096669", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate receptors; NMDA/AMPA"}
{"id": "CHEMBL.TARGET:CHEMBL2096991", "category": ["biolink:MacromolecularComplex"], "name": "Protein farnesyl/geranylgeranyl transferase"}
{"name": "Glutamate receptor ionotropic, kainate 4", "id": "UniProtKB:Q16099", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutamate receptor ionotropic, kainate 3", "xref": ["CHEMBL.TARGET:CHEMBL3684"], "id": "UniProtKB:Q13003", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor subunit rho-2", "xref": ["CHEMBL.TARGET:CHEMBL2375"], "id": "UniProtKB:P28476", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2109242", "category": ["biolink:MacromolecularComplex"], "name": "GABA-C receptor"}
{"name": "Gamma-aminobutyric acid receptor subunit rho-3", "id": "UniProtKB:A8MPY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor subunit rho-1", "xref": ["CHEMBL.TARGET:CHEMBL3561"], "id": "UniProtKB:P24046", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2109243", "category": ["biolink:MacromolecularComplex"], "name": "GABA-A receptor; benzodiazepine site"}
{"id": "CHEMBL.TARGET:CHEMBL2111425", "category": ["biolink:MacromolecularComplex"], "name": "Fibronectin receptor (Integrin alpha-5/beta-1 and alpha-V/beta-3)"}
{"id": "CHEMBL.TARGET:CHEMBL2111444", "category": ["biolink:MacromolecularComplex"], "name": "CDK3/cyclin E"}
{"name": "cAMP-dependent protein kinase catalytic subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL2654"], "id": "UniProtKB:P00517", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2111446", "category": ["biolink:MacromolecularComplex"], "name": "cAMP-dependent protein kinase A"}
{"name": "cAMP-dependent protein kinase catalytic subunit beta", "id": "UniProtKB:P05131", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "cAMP-dependent protein kinase type II-beta regulatory subunit", "id": "UniProtKB:P31322", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "cAMP-dependent protein kinase type II-alpha regulatory subunit", "id": "UniProtKB:P00515", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform", "xref": ["CHEMBL.TARGET:CHEMBL2349"], "id": "UniProtKB:P15735", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111324", "category": ["biolink:MacromolecularComplex"], "name": "Phosphorylase kinase"}
{"name": "Phosphorylase b kinase regulatory subunit alpha, skeletal muscle isoform", "id": "UniProtKB:P46020", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphorylase b kinase regulatory subunit alpha, liver isoform", "xref": ["CHEMBL.TARGET:CHEMBL2906"], "id": "UniProtKB:P46019", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphorylase kinase beta subunit", "synonym": ["Phosphorylase b kinase regulatory subunit beta"], "xref": ["CHEMBL.TARGET:CHEMBL3844"], "id": "UniProtKB:Q93100", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform", "xref": ["CHEMBL.TARGET:CHEMBL4004"], "id": "UniProtKB:Q16816", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Guanylate cyclase soluble subunit beta-2", "id": "UniProtKB:O75343", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Guanylate cyclase soluble subunit alpha-2", "id": "UniProtKB:P33402", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111384", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor alpha3/betaX"}
{"id": "CHEMBL.TARGET:CHEMBL2221346", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptors; alpha-3/beta-4, alpha-5, beta-2"}
{"name": "Voltage-dependent calcium channel subunit alpha-2/delta-3", "id": "UniProtKB:Q8IZS8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1S", "xref": ["CHEMBL.TARGET:CHEMBL3805"], "id": "UniProtKB:Q13698", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1D", "xref": ["CHEMBL.TARGET:CHEMBL4138"], "id": "UniProtKB:Q01668", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent T-type calcium channel subunit alpha-1G", "xref": ["CHEMBL.TARGET:CHEMBL4641"], "id": "UniProtKB:O43497", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent calcium channel subunit alpha-2/delta-4", "id": "UniProtKB:Q7Z3S7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent T-type calcium channel subunit alpha-1I", "xref": ["CHEMBL.TARGET:CHEMBL5558"], "id": "UniProtKB:Q9P0X4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1F", "id": "UniProtKB:O60840", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent R-type calcium channel subunit alpha-1E", "xref": ["CHEMBL.TARGET:CHEMBL1687682"], "id": "UniProtKB:Q15878", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent L-type calcium channel subunit beta-4", "id": "UniProtKB:O00305", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent calcium channel gamma-7 subunit", "id": "UniProtKB:P62955", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent calcium channel gamma-5 subunit", "id": "UniProtKB:Q9UF02", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent calcium channel gamma-4 subunit", "id": "UniProtKB:Q9UBN1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent calcium channel gamma-3 subunit", "id": "UniProtKB:O60359", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent calcium channel gamma-6 subunit", "id": "UniProtKB:Q9BXT2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent calcium channel gamma-1 subunit", "id": "UniProtKB:Q06432", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alcohol dehydrogenase 1A", "xref": ["CHEMBL.TARGET:CHEMBL1970"], "id": "UniProtKB:P07327", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "All-trans-retinol dehydrogenase [NAD(+)] ADH1B", "xref": ["CHEMBL.TARGET:CHEMBL3284"], "id": "UniProtKB:P00325", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alcohol dehydrogenase 1C", "xref": ["CHEMBL.TARGET:CHEMBL3285"], "id": "UniProtKB:P00326", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acetylcholine receptor protein alpha 1, 2, 3, 4 invertebrate, putative", "id": "UniProtKB:E0VDF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Acetylcholine receptor protein alpha 1, 2, 3, 4 invertebrate, putative", "id": "UniProtKB:E0VDF4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Acetylcholine receptor protein subunit alpha-L1, putative", "id": "UniProtKB:E0VDF5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Acetylcholine receptor protein alpha 1, 2, 3, 4 invertebrate, putative", "id": "UniProtKB:E0VB18", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Acetylcholine receptor protein alpha 1, 2, 3, 4 invertebrate, putative", "id": "UniProtKB:E0VB20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "DrosGluCl, putative", "id": "UniProtKB:E0VP62", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta", "id": "UniProtKB:H9U2V9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:32264"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta", "id": "UniProtKB:H9U2W0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:32264"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta", "id": "UniProtKB:H9U2W1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:32264"]}
{"name": "Gaba-gated chloride channel, putative", "id": "UniProtKB:E0W492", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta", "id": "UniProtKB:E0VY07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Gaba-gated chloride channel, putative", "id": "UniProtKB:E0V9W2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Laminin subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4523594"], "id": "UniProtKB:P25391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit alpha-2", "id": "UniProtKB:P24043", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit alpha-3", "id": "UniProtKB:Q16787", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit alpha-4", "id": "UniProtKB:Q16363", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit alpha-5", "id": "UniProtKB:O15230", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit beta-1", "id": "UniProtKB:P07942", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit beta-2", "id": "UniProtKB:P55268", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit beta-3", "id": "UniProtKB:Q13751", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit beta-4", "id": "UniProtKB:A4D0S4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit gamma-1", "id": "UniProtKB:P11047", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit gamma-2", "id": "UniProtKB:Q13753", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Laminin subunit gamma-3", "id": "UniProtKB:Q9Y6N6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-2(I) chain", "xref": ["CHEMBL.TARGET:CHEMBL2685"], "id": "UniProtKB:P08123", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(I) chain", "xref": ["CHEMBL.TARGET:CHEMBL3030"], "id": "UniProtKB:P02452", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(II) chain", "xref": ["CHEMBL.TARGET:CHEMBL5169108"], "id": "UniProtKB:P02458", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(III) chain", "id": "UniProtKB:P02461", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(IV) chain", "id": "UniProtKB:P02462", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(V) chain", "id": "UniProtKB:P20908", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(VI) chain", "id": "UniProtKB:P12109", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(XI) chain", "id": "UniProtKB:P12107", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(XV) chain", "id": "UniProtKB:P39059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(XVIII) chain", "id": "UniProtKB:P39060", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(XXIV) chain", "id": "UniProtKB:Q17RW2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(XXVII) chain", "id": "UniProtKB:Q8IZC6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(XXVIII) chain", "id": "UniProtKB:Q2UY09", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-2(IV) chain", "id": "UniProtKB:P08572", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-2(V) chain", "id": "UniProtKB:P05997", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-2(VI) chain", "id": "UniProtKB:P12110", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-2(XI) chain", "id": "UniProtKB:P13942", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-3(IV) chain", "id": "UniProtKB:Q01955", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-3(V) chain", "id": "UniProtKB:P25940", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-3(VI) chain", "id": "UniProtKB:P12111", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-5(IV) chain", "id": "UniProtKB:P29400", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-5(VI) chain", "id": "UniProtKB:A8TX70", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-6(IV) chain", "id": "UniProtKB:Q14031", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-6(VI) chain", "id": "UniProtKB:A6NMZ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta-like", "id": "UniProtKB:A0A1I7W5Q0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7209"]}
{"name": "Neur_chan_memb domain-containing protein", "id": "UniProtKB:A0A1I7W5G9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7209"]}
{"name": "Tubulin beta chain", "id": "UniProtKB:F2SZD3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559305"]}
{"name": "Tubulin alpha chain", "id": "UniProtKB:F2SG63", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559305"]}
{"name": "Tubulin alpha chain", "id": "UniProtKB:F2SZ02", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559305"]}
{"name": "Beta-tubulin isoform 1", "id": "UniProtKB:C4PKY4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6210"]}
{"name": "Tubulin beta chain", "id": "UniProtKB:C4PKZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6210"]}
{"name": "Beta-tubulin isoform 3", "id": "UniProtKB:C4PKZ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6210"]}
{"name": "Tubulin alpha chain", "id": "UniProtKB:F1L5G6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6253"]}
{"name": "Tubulin alpha chain", "id": "UniProtKB:F1L7Y0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6253"]}
{"name": "Tubulin alpha chain", "id": "UniProtKB:F1L005", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6253"]}
{"name": "Tubulin alpha-3 chain", "id": "UniProtKB:F1LCS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6253"]}
{"name": "Tubulin beta chain", "id": "UniProtKB:F1L4P8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6253"]}
{"name": "Tubulin beta chain", "id": "UniProtKB:F1L7U3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6253"]}
{"name": "Tubulin beta chain", "id": "UniProtKB:F1L8A5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6253"]}
{"name": "Neuronal acetylcholine receptor subunit beta-4", "id": "UniProtKB:Q8SPU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL3350221", "category": ["biolink:MacromolecularComplex"], "name": "Chromaffin cell neuronal nicotinic acetylcholine receptor"}
{"name": "Neuronal acetylcholine receptor subunit alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL5317"], "id": "UniProtKB:Q07263", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-7", "xref": ["CHEMBL.TARGET:CHEMBL5934"], "id": "UniProtKB:P54131", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL3350222", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal nicotinic acetylcholine receptor"}
{"name": "Neuronal acetylcholine receptor subunit alpha-7", "xref": ["CHEMBL.TARGET:CHEMBL3365"], "id": "UniProtKB:P49582", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-2", "id": "UniProtKB:Q91X60", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-5", "id": "UniProtKB:Q2MKA5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Acetylcholine receptor subunit beta-like 2", "xref": ["CHEMBL.TARGET:CHEMBL2366470"], "id": "UniProtKB:P25162", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"id": "CHEMBL.TARGET:CHEMBL3350223", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor"}
{"name": "Nicotinic acetylcholine receptor", "id": "UniProtKB:E0WN35", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Acetylcholine receptor subunit beta-like 1", "id": "UniProtKB:P04755", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Acetylcholine receptor subunit alpha-like 2", "id": "UniProtKB:P17644", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Acetylcholine receptor subunit alpha-like 1", "id": "UniProtKB:P09478", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Nicotinic acetylcholine receptor alpha5, isoform B", "id": "UniProtKB:Q7KT97", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Nicotinic acetylcholine receptor alpha3, isoform B", "id": "UniProtKB:Q9W3G6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Nicotinic acetylcholine receptor alpha4, isoform D", "id": "UniProtKB:M9NE13", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Nicotinic acetylcholine receptor alpha6, isoform E", "id": "UniProtKB:Q7KTF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Nicotinic acetylcholine receptor Dalpha7", "id": "UniProtKB:A4GXC7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Nicotinic acetylcholine receptor beta 3 (Dbeta3) subunit", "id": "UniProtKB:Q9VPQ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Nicotinic acetylcholine receptor alpha 3 subunit", "id": "UniProtKB:Q9U941", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13164"]}
{"id": "CHEMBL.TARGET:CHEMBL3350224", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic acetylcholine receptor"}
{"name": "Nicotinic acetylcholine receptor alpha 4 subunit", "id": "UniProtKB:Q9U940", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13164"]}
{"name": "Nicotinic acetylcholine receptor, alpha5 subunit", "id": "UniProtKB:Q5F2K3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13164"]}
{"name": "Nicotinic acetylcholine receptor, alpha7-2 subunit", "id": "UniProtKB:Q5F2K1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13164"]}
{"name": "Nicotinic acetyl choline receptor alpha-subunit", "id": "UniProtKB:P91764", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13164"]}
{"name": "Forkhead box protein A2-A", "id": "UniProtKB:Q91765", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8355"]}
{"name": "Nicotinic acetylcholine receptor, alpha7-1 subunit", "id": "UniProtKB:Q5F2K2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13164"]}
{"name": "Putative nicotinic acetylcholine receptor subunit", "id": "UniProtKB:Q9NFX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13164"]}
{"name": "Glycine receptor subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL2328"], "id": "UniProtKB:P22771", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3392921", "category": ["biolink:MacromolecularComplex"], "name": "Glycine receptor"}
{"name": "Glycine receptor subunit alpha-3", "id": "UniProtKB:P24524", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Glycine receptor subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL3246"], "id": "UniProtKB:P07727", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Glycine receptor subunit beta", "id": "UniProtKB:P20781", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Phosphatidylinositol 3-kinase regulatory subunit gamma", "xref": ["CHEMBL.TARGET:CHEMBL3559702"], "id": "UniProtKB:Q92569", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutamate receptor ionotropic, NMDA 2A", "id": "UniProtKB:P35436", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3832634", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate NMDA receptor"}
{"name": "Glutamate receptor ionotropic, NMDA 3B", "id": "UniProtKB:Q91ZU9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Glutamate receptor ionotropic, NMDA 2D", "id": "UniProtKB:Q03391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Glutamate receptor ionotropic, NMDA 2C", "id": "UniProtKB:Q01098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Glutamate receptor ionotropic, NMDA 3A", "id": "UniProtKB:A2AIR5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885647", "category": ["biolink:MacromolecularComplex"], "name": "Tubulin alpha-1A /beta chains"}
{"name": "Tubulin alpha chain", "id": "UniProtKB:P87066", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"id": "CHEMBL.TARGET:CHEMBL3988634", "category": ["biolink:MacromolecularComplex"], "name": "Tubulin"}
{"name": "Tubulin beta chain", "id": "UniProtKB:P10875", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"name": "Tubulin gamma chain", "id": "UniProtKB:O93807", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"name": "Sodium/potassium-transporting ATPase subunit beta-1", "id": "UniProtKB:P05027", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.TARGET:CHEMBL4524015", "category": ["biolink:MacromolecularComplex"], "name": "Sodium/potassium-transporting ATPase"}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4131"], "id": "UniProtKB:P05024", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-2", "id": "UniProtKB:D2WKD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Sodium/potassium-transporting ATPase subunit alpha", "id": "UniProtKB:D2WKD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Sodium/potassium-transporting ATPase subunit beta", "id": "UniProtKB:F1ST41", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.TARGET:CHEMBL4524016", "category": ["biolink:MacromolecularComplex"], "name": "AMP-activated protein kinase, AMPK"}
{"name": "5'-AMP-activated protein kinase catalytic subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL4637"], "id": "UniProtKB:Q09137", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "AMP-activated protein kinase gamma 2 non-catalytic subunit", "id": "UniProtKB:Q6V7V4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Protein kinase AMP-activated non-catalytic subunit gamma 3", "id": "UniProtKB:D4A7E4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4524129", "category": ["biolink:MacromolecularComplex"], "name": "Glutamate (NMDA/AMPA/Kainate)"}
{"name": "Glutamate receptor ionotropic, delta-1", "id": "UniProtKB:Q9ULK0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutamate receptor ionotropic, delta-2", "id": "UniProtKB:O43424", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-binding cassette sub-family C member 9", "xref": ["CHEMBL.TARGET:CHEMBL3244"], "id": "UniProtKB:Q63563", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4524131", "category": ["biolink:MacromolecularComplex"], "name": "Sulfonylurea receptors; K-ATP channels"}
{"name": "ATP-sensitive inward rectifier potassium channel 8", "id": "UniProtKB:Q63664", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4524133", "category": ["biolink:MacromolecularComplex"], "name": "Nicotinic Acetylcholine Receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4804182", "category": ["biolink:MacromolecularComplex"], "name": "Neuronal acetylcholine receptor"}
{"id": "CHEMBL.TARGET:CHEMBL5291961", "category": ["biolink:MacromolecularComplex"], "name": "CDK9/Cyclin T"}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-1", "id": "UniProtKB:A0A8I3MM39", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid type A receptor subunit beta2", "id": "UniProtKB:A0A8I3RPG5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-2", "id": "UniProtKB:A0A8C0NGN4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid type A receptor subunit beta3", "id": "UniProtKB:A0A8I3NUI4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid type A receptor subunit alpha4", "id": "UniProtKB:A0A8I3MY70", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid receptor subunit gamma-3", "id": "UniProtKB:A0A8C0Q305", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid receptor subunit theta", "id": "UniProtKB:A0A8I3P6Y4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid type A receptor subunit alpha3", "id": "UniProtKB:A0A8I3S9L5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid receptor subunit pi", "id": "UniProtKB:A0A8I3N1H4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid receptor subunit delta", "id": "UniProtKB:A0A8I3P3X2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid type A receptor subunit gamma1", "id": "UniProtKB:A0A8C0N7E7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid receptor subunit beta-1", "id": "UniProtKB:A0A8I3MZR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid receptor subunit epsilon", "id": "UniProtKB:A0A8I3S5D0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid receptor subunit alpha-2", "id": "UniProtKB:A0A8P0PFJ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid type A receptor subunit alpha5", "id": "UniProtKB:A0A8I3PC22", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Gamma-aminobutyric acid type A receptor subunit alpha6", "id": "UniProtKB:A0A8C0Q209", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.TARGET:CHEMBL5483182", "category": ["biolink:MacromolecularComplex"], "name": "CDK1/Cyclin A"}
{"id": "CHEMBL.TARGET:CHEMBL5483183", "category": ["biolink:MacromolecularComplex"], "name": "CDK6/Cyclin D"}
{"id": "CHEMBL.TARGET:CHEMBL5483189", "category": ["biolink:MacromolecularComplex"], "name": "CDK1/Cyclin E"}
{"name": "Muscarinic acetylcholine receptor M1", "xref": ["CHEMBL.TARGET:CHEMBL276"], "id": "UniProtKB:P08482", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL1907609", "category": ["biolink:ProteinFamily"], "name": "Muscarinic acetylcholine receptor"}
{"name": "Muscarinic acetylcholine receptor M3", "xref": ["CHEMBL.TARGET:CHEMBL320"], "id": "UniProtKB:P08483", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Muscarinic acetylcholine receptor M4", "xref": ["CHEMBL.TARGET:CHEMBL317"], "id": "UniProtKB:P08485", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Muscarinic acetylcholine receptor M5", "xref": ["CHEMBL.TARGET:CHEMBL277"], "id": "UniProtKB:P08911", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Muscarinic acetylcholine receptor M2", "xref": ["CHEMBL.TARGET:CHEMBL309"], "id": "UniProtKB:P10980", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Alpha-1B adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL315"], "id": "UniProtKB:P15823", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL1907610", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor alpha-1"}
{"name": "Alpha-1D adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL326"], "id": "UniProtKB:P23944", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Alpha-1A adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL319"], "id": "UniProtKB:P43140", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4A", "xref": ["CHEMBL.TARGET:CHEMBL254"], "id": "UniProtKB:P27815", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4B", "xref": ["CHEMBL.TARGET:CHEMBL275"], "id": "UniProtKB:Q07343", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4C", "xref": ["CHEMBL.TARGET:CHEMBL291"], "id": "UniProtKB:Q08493", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-2C adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL314"], "id": "UniProtKB:P22086", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2093864", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor alpha-2"}
{"name": "Alpha-2B adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL266"], "id": "UniProtKB:P19328", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Alpha-2A adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL327"], "id": "UniProtKB:P22909", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Histone deacetylase 5", "xref": ["CHEMBL.TARGET:CHEMBL2563"], "id": "UniProtKB:Q9UQL6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone deacetylase 7", "xref": ["CHEMBL.TARGET:CHEMBL2716"], "id": "UniProtKB:Q8WUI4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone deacetylase 9", "xref": ["CHEMBL.TARGET:CHEMBL4145"], "id": "UniProtKB:Q9UKV0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polyamine deacetylase HDAC10", "xref": ["CHEMBL.TARGET:CHEMBL5103"], "id": "UniProtKB:Q969S8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase D3", "xref": ["CHEMBL.TARGET:CHEMBL2595"], "id": "UniProtKB:O94806", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein kinase C iota type", "xref": ["CHEMBL.TARGET:CHEMBL2598"], "id": "UniProtKB:P41743", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein kinase C alpha type", "xref": ["CHEMBL.TARGET:CHEMBL299"], "id": "UniProtKB:P17252", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein kinase C gamma type", "xref": ["CHEMBL.TARGET:CHEMBL2938"], "id": "UniProtKB:P05129", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein kinase C zeta type", "xref": ["CHEMBL.TARGET:CHEMBL3438"], "id": "UniProtKB:Q05513", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein kinase C eta type", "xref": ["CHEMBL.TARGET:CHEMBL3616"], "id": "UniProtKB:P24723", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase D1", "xref": ["CHEMBL.TARGET:CHEMBL3863"], "id": "UniProtKB:Q15139", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein kinase C theta type", "xref": ["CHEMBL.TARGET:CHEMBL3920"], "id": "UniProtKB:Q04759", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "D(1B) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL2281"], "id": "UniProtKB:P25115", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2093868", "category": ["biolink:ProteinFamily"], "name": "Dopamine receptor"}
{"name": "D(3) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL3138"], "id": "UniProtKB:P19020", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "D(4) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL3361"], "id": "UniProtKB:P30729", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "D(1A) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL265"], "id": "UniProtKB:P18901", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "D(2) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL339"], "id": "UniProtKB:P61169", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5-hydroxytryptamine receptor 2B", "xref": ["CHEMBL.TARGET:CHEMBL323"], "id": "UniProtKB:P30994", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2093870", "category": ["biolink:ProteinFamily"], "name": "Serotonin 2 (5-HT2) receptor"}
{"name": "5-hydroxytryptamine receptor 2C", "xref": ["CHEMBL.TARGET:CHEMBL324"], "id": "UniProtKB:P08909", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5-hydroxytryptamine receptor 2A", "xref": ["CHEMBL.TARGET:CHEMBL322"], "id": "UniProtKB:P14842", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094111", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor alpha"}
{"name": "Type-1 angiotensin II receptor B", "xref": ["CHEMBL.TARGET:CHEMBL263"], "id": "UniProtKB:P29089", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094112", "category": ["biolink:ProteinFamily"], "name": "Angiotensin II receptor"}
{"name": "Type-1 angiotensin II receptor A", "xref": ["CHEMBL.TARGET:CHEMBL329"], "id": "UniProtKB:P25095", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Type-2 angiotensin II receptor", "xref": ["CHEMBL.TARGET:CHEMBL257"], "id": "UniProtKB:P35351", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Estrogen receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL2995"], "id": "UniProtKB:O08537", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2094113", "category": ["biolink:ProteinFamily"], "name": "Estrogen receptor"}
{"name": "Estrogen receptor", "xref": ["CHEMBL.TARGET:CHEMBL3065"], "id": "UniProtKB:P19785", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Estrogen receptor", "xref": ["CHEMBL.TARGET:CHEMBL2724"], "id": "UniProtKB:P06211", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094114", "category": ["biolink:ProteinFamily"], "name": "Estrogen receptor"}
{"name": "Estrogen receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL3021"], "id": "UniProtKB:Q62986", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Mitogen-activated protein kinase 13", "xref": ["CHEMBL.TARGET:CHEMBL2939"], "id": "UniProtKB:O15264", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2094115", "category": ["biolink:ProteinFamily"], "name": "MAP kinase p38"}
{"name": "Mitogen-activated protein kinase 12", "xref": ["CHEMBL.TARGET:CHEMBL4674"], "id": "UniProtKB:P53778", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenosine receptor A2b", "xref": ["CHEMBL.TARGET:CHEMBL2592"], "id": "UniProtKB:P29276", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094117", "category": ["biolink:ProteinFamily"], "name": "Adenosine A2 receptor"}
{"name": "Adenosine receptor A2a", "xref": ["CHEMBL.TARGET:CHEMBL302"], "id": "UniProtKB:P30543", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094123", "category": ["biolink:ProteinFamily"], "name": "Serotonin (5-HT) receptor"}
{"name": "5-hydroxytryptamine receptor 5B", "xref": ["CHEMBL.TARGET:CHEMBL2619"], "id": "UniProtKB:P35365", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5-hydroxytryptamine receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL3223"], "id": "UniProtKB:P32305", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5-hydroxytryptamine receptor 6", "xref": ["CHEMBL.TARGET:CHEMBL3372"], "id": "UniProtKB:P31388", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5-hydroxytryptamine receptor 1B", "xref": ["CHEMBL.TARGET:CHEMBL3459"], "id": "UniProtKB:P28564", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5-hydroxytryptamine receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL4317"], "id": "UniProtKB:Q62758", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5-hydroxytryptamine receptor 1F", "xref": ["CHEMBL.TARGET:CHEMBL4646"], "id": "UniProtKB:P30940", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5-hydroxytryptamine receptor 5A", "xref": ["CHEMBL.TARGET:CHEMBL4655"], "id": "UniProtKB:P35364", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5-hydroxytryptamine receptor 1A", "xref": ["CHEMBL.TARGET:CHEMBL273"], "id": "UniProtKB:P19327", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "5-hydroxytryptamine receptor 1D", "xref": ["CHEMBL.TARGET:CHEMBL5450"], "id": "UniProtKB:P28565", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B", "xref": ["CHEMBL.TARGET:CHEMBL290"], "id": "UniProtKB:Q13370", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Delta-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL269"], "id": "UniProtKB:P33533", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094129", "category": ["biolink:ProteinFamily"], "name": "Opioid receptor"}
{"name": "Kappa-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL3614"], "id": "UniProtKB:P34975", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Mu-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL270"], "id": "UniProtKB:P33535", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094134", "category": ["biolink:ProteinFamily"], "name": "Tubulin"}
{"name": "Similar to alpha-tubulin isoform 1", "id": "UniProtKB:Q862L2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "cAMP-dependent protein kinase catalytic subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL2918"], "id": "UniProtKB:P22694", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "cAMP-dependent protein kinase catalytic subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4101"], "id": "UniProtKB:P17612", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "cAMP-dependent protein kinase catalytic subunit gamma", "xref": ["CHEMBL.TARGET:CHEMBL2743"], "id": "UniProtKB:P22612", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2094250", "category": ["biolink:ProteinFamily"], "name": "Angiotensin II receptor (AT-1) type-1"}
{"name": "Alpha-1B adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL232"], "id": "UniProtKB:P35368", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2094254", "category": ["biolink:ProteinFamily"], "name": "Cysteinyl leukotriene receptor"}
{"name": "Cysteinyl leukotriene receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4330"], "id": "UniProtKB:Q9NS75", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA topoisomerase 2-beta", "xref": ["CHEMBL.TARGET:CHEMBL3396"], "id": "UniProtKB:Q02880", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2094256", "category": ["biolink:ProteinFamily"], "name": "Angiotensin II receptor"}
{"name": "Protein kinase C alpha type", "xref": ["CHEMBL.TARGET:CHEMBL2855"], "id": "UniProtKB:P05696", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094266", "category": ["biolink:ProteinFamily"], "name": "Protein kinase C (PKC)"}
{"name": "Protein kinase C beta type", "xref": ["CHEMBL.TARGET:CHEMBL3020"], "id": "UniProtKB:P68403", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Protein kinase C epsilon type", "xref": ["CHEMBL.TARGET:CHEMBL3424"], "id": "UniProtKB:P09216", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Protein kinase C gamma type", "xref": ["CHEMBL.TARGET:CHEMBL3604"], "id": "UniProtKB:P63319", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Protein kinase C delta type", "xref": ["CHEMBL.TARGET:CHEMBL3633"], "id": "UniProtKB:P09215", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Protein kinase C eta type", "id": "UniProtKB:Q64617", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Protein kinase C theta type", "id": "UniProtKB:Q9WTQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Protein kinase C zeta type", "id": "UniProtKB:P09217", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4D", "xref": ["CHEMBL.TARGET:CHEMBL2712"], "id": "UniProtKB:P14270", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094267", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 4"}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4B", "xref": ["CHEMBL.TARGET:CHEMBL3382"], "id": "UniProtKB:P14646", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4C", "id": "UniProtKB:P14644", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4A", "xref": ["CHEMBL.TARGET:CHEMBL4964"], "id": "UniProtKB:P54748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Melatonin receptor type 1A", "xref": ["CHEMBL.TARGET:CHEMBL1945"], "id": "UniProtKB:P48039", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Melatonin receptor type 1B", "xref": ["CHEMBL.TARGET:CHEMBL1946"], "id": "UniProtKB:P49286", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A", "xref": ["CHEMBL.TARGET:CHEMBL3421"], "id": "UniProtKB:P54750", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095150", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 1"}
{"name": "Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B", "xref": ["CHEMBL.TARGET:CHEMBL4425"], "id": "UniProtKB:Q01064", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C", "xref": ["CHEMBL.TARGET:CHEMBL4619"], "id": "UniProtKB:Q14123", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Melatonin receptor type 1C", "xref": ["CHEMBL.TARGET:CHEMBL3196"], "id": "UniProtKB:P49288", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"id": "CHEMBL.TARGET:CHEMBL2095154", "category": ["biolink:ProteinFamily"], "name": "Melatonin receptor"}
{"name": "Melatonin receptor type 1B", "xref": ["CHEMBL.TARGET:CHEMBL4466"], "id": "UniProtKB:P51050", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"name": "Melatonin receptor type 1A", "id": "UniProtKB:P49285", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"name": "Prostaglandin G/H synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL2977"], "id": "UniProtKB:P35355", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095157", "category": ["biolink:ProteinFamily"], "name": "Cyclooxygenase"}
{"name": "Prostaglandin G/H synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL4042"], "id": "UniProtKB:Q63921", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Alpha-2B adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL1942"], "id": "UniProtKB:P18089", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095159", "category": ["biolink:ProteinFamily"], "name": "Serotonin 1 (5-HT1) receptor"}
{"name": "Leukotriene B4 receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3191"], "id": "UniProtKB:Q9NPC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Beta-1 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL3252"], "id": "UniProtKB:P18090", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095166", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor beta"}
{"name": "Beta-2 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL3754"], "id": "UniProtKB:P10608", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Beta-3 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL4031"], "id": "UniProtKB:P26255", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Estrogen receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL2404"], "id": "UniProtKB:Q9XSB5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2095170", "category": ["biolink:ProteinFamily"], "name": "Estrogen receptor"}
{"name": "Estrogen receptor", "xref": ["CHEMBL.TARGET:CHEMBL2930"], "id": "UniProtKB:P49884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Sodium channel protein type 2 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3399"], "id": "UniProtKB:P04775", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095171", "category": ["biolink:ProteinFamily"], "name": "Sodium channel alpha subunits; brain (Types I, II, III)"}
{"name": "Sodium channel protein type 1 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4906"], "id": "UniProtKB:P04774", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium channel protein type 3 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4966"], "id": "UniProtKB:P08104", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1C", "xref": ["CHEMBL.TARGET:CHEMBL3762"], "id": "UniProtKB:P22002", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095177", "category": ["biolink:ProteinFamily"], "name": "Voltage-gated L-type calcium channel"}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1S", "xref": ["CHEMBL.TARGET:CHEMBL4108"], "id": "UniProtKB:Q02485", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Adenylate cyclase type 1", "id": "UniProtKB:D4A3N4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095179", "category": ["biolink:ProteinFamily"], "name": "Adenylate cyclase"}
{"name": "Adenylate cyclase type 4", "id": "UniProtKB:P26770", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Adenylate cyclase type 5", "xref": ["CHEMBL.TARGET:CHEMBL2880"], "id": "UniProtKB:Q04400", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Adenylate cyclase type 2", "xref": ["CHEMBL.TARGET:CHEMBL2958"], "id": "UniProtKB:P26769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Adenylate cyclase type 6", "id": "UniProtKB:Q03343", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Adenylate cyclase type 8", "id": "UniProtKB:P40146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "adenylate cyclase", "id": "UniProtKB:Q8CFM9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Adenylate cyclase type 3", "id": "UniProtKB:P21932", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Carbonic anhydrase 3", "xref": ["CHEMBL.TARGET:CHEMBL2885"], "id": "UniProtKB:P07451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carbonic anhydrase 6", "xref": ["CHEMBL.TARGET:CHEMBL3025"], "id": "UniProtKB:P23280", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carbonic anhydrase 14", "xref": ["CHEMBL.TARGET:CHEMBL3510"], "id": "UniProtKB:Q9ULX7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carbonic anhydrase 13", "xref": ["CHEMBL.TARGET:CHEMBL3912"], "id": "UniProtKB:Q8N1Q1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carbonic anhydrase 5B, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3969"], "id": "UniProtKB:Q9Y2D0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carbonic anhydrase 5A, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4789"], "id": "UniProtKB:P35218", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mu-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL2858"], "id": "UniProtKB:P42866", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2095192", "category": ["biolink:ProteinFamily"], "name": "Opioid receptor"}
{"name": "Delta-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL3222"], "id": "UniProtKB:P32300", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Kappa-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL4329"], "id": "UniProtKB:P33534", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Tryptase delta", "id": "UniProtKB:Q9BZJ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095193", "category": ["biolink:ProteinFamily"], "name": "Tryptase"}
{"name": "Tryptase beta-1", "synonym": ["Tryptase alpha/beta-1"], "xref": ["CHEMBL.TARGET:CHEMBL2617"], "id": "UniProtKB:Q15661", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tryptase gamma", "xref": ["CHEMBL.TARGET:CHEMBL4955"], "id": "UniProtKB:Q9NRR2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Amine oxidase [flavin-containing] B", "xref": ["CHEMBL.TARGET:CHEMBL2993"], "id": "UniProtKB:P19643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095196", "category": ["biolink:ProteinFamily"], "name": "Monoamine oxidase"}
{"name": "Amine oxidase [flavin-containing] A", "xref": ["CHEMBL.TARGET:CHEMBL3358"], "id": "UniProtKB:P21396", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Serine protease 1", "xref": ["CHEMBL.TARGET:CHEMBL209"], "id": "UniProtKB:P07477", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095204", "category": ["biolink:ProteinFamily"], "name": "Trypsin"}
{"name": "Trypsin-2", "xref": ["CHEMBL.TARGET:CHEMBL3159"], "id": "UniProtKB:P07478", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Trypsin-3", "xref": ["CHEMBL.TARGET:CHEMBL4551"], "id": "UniProtKB:P35030", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095216", "category": ["biolink:ProteinFamily"], "name": "Collagenase"}
{"name": "Vasopressin V1b receptor", "xref": ["CHEMBL.TARGET:CHEMBL2659"], "id": "UniProtKB:P48974", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095221", "category": ["biolink:ProteinFamily"], "name": "Vasopressin V1 receptor"}
{"name": "Vasopressin V1a receptor", "xref": ["CHEMBL.TARGET:CHEMBL2868"], "id": "UniProtKB:P30560", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Histone deacetylase 3", "id": "UniProtKB:Q6P6W3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095943", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase"}
{"name": "Histone deacetylase 4", "id": "UniProtKB:Q99P99", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Histone deacetylase 7", "id": "UniProtKB:Q99P96", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Histone deacetylase 1", "xref": ["CHEMBL.TARGET:CHEMBL2915"], "id": "UniProtKB:Q4QQW4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Histone deacetylase 6", "xref": ["CHEMBL.TARGET:CHEMBL3101"], "id": "UniProtKB:Q99P97", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Hdac5 protein", "id": "UniProtKB:Q5RJZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "histone deacetylase", "id": "UniProtKB:B1WBY8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Phosphatidylinositol 4-kinase type 2-alpha", "xref": ["CHEMBL.TARGET:CHEMBL2251"], "id": "UniProtKB:Q9BTU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2096619", "category": ["biolink:ProteinFamily"], "name": "Phosphatidylinositol 4-kinase, PI4K"}
{"name": "Phosphatidylinositol 4-kinase type 2-beta", "xref": ["CHEMBL.TARGET:CHEMBL3220"], "id": "UniProtKB:Q8TCG2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol 4-kinase beta", "xref": ["CHEMBL.TARGET:CHEMBL3268"], "id": "UniProtKB:Q9UBF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2096620", "category": ["biolink:ProteinFamily"], "name": "Protein kinase C, PKC; classical/novel"}
{"id": "CHEMBL.TARGET:CHEMBL2096622", "category": ["biolink:ProteinFamily"], "name": "Vasopressin receptor"}
{"name": "Vasopressin V2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL3766"], "id": "UniProtKB:Q00788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial", "id": "UniProtKB:Q63065", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096663", "category": ["biolink:ProteinFamily"], "name": "Pyruvate dehydrogenase kinase"}
{"name": "Protein-serine/threonine kinase", "id": "UniProtKB:A6IPZ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial", "id": "UniProtKB:Q64536", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial", "id": "UniProtKB:O54937", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "3-oxo-5-alpha-steroid 4-dehydrogenase 1", "xref": ["CHEMBL.TARGET:CHEMBL3422"], "id": "UniProtKB:P24008", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096664", "category": ["biolink:ProteinFamily"], "name": "Steroid 5-alpha-reductase"}
{"name": "3-oxo-5-alpha-steroid 4-dehydrogenase 2", "xref": ["CHEMBL.TARGET:CHEMBL5099"], "id": "UniProtKB:P31214", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3861"], "id": "UniProtKB:Q15119", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3893"], "id": "UniProtKB:Q15120", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4141"], "id": "UniProtKB:Q16654", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4766"], "id": "UniProtKB:Q15118", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "All-trans-retinol dehydrogenase [NAD(+)] ADH4", "xref": ["CHEMBL.TARGET:CHEMBL2990"], "id": "UniProtKB:P08319", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "All-trans-retinol dehydrogenase [NAD(+)] ADH7", "xref": ["CHEMBL.TARGET:CHEMBL3867"], "id": "UniProtKB:P40394", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alcohol dehydrogenase 6", "id": "UniProtKB:P28332", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5-hydroxytryptamine receptor 2B", "xref": ["CHEMBL.TARGET:CHEMBL2583"], "id": "UniProtKB:Q02152", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2096671", "category": ["biolink:ProteinFamily"], "name": "Serotonin 2 (5-HT2) receptor"}
{"name": "5-hydroxytryptamine receptor 2C", "xref": ["CHEMBL.TARGET:CHEMBL3006"], "id": "UniProtKB:P34968", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "5-hydroxytryptamine receptor 2A", "xref": ["CHEMBL.TARGET:CHEMBL5377"], "id": "UniProtKB:P35363", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Small conductance calcium-activated potassium channel protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2547"], "id": "UniProtKB:P70604", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096673", "category": ["biolink:ProteinFamily"], "name": "Small conductance calcium-activated potassium channel"}
{"name": "Small conductance calcium-activated potassium channel protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3743"], "id": "UniProtKB:P70606", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Small conductance calcium-activated potassium channel protein 3", "xref": ["CHEMBL.TARGET:CHEMBL3780"], "id": "UniProtKB:P70605", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Prostaglandin G/H synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL2860"], "id": "UniProtKB:O62664", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2096674", "category": ["biolink:ProteinFamily"], "name": "Cyclooxygenase"}
{"name": "Prostaglandin G/H synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL3331"], "id": "UniProtKB:O62698", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Phosphoglycerate kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL2886"], "id": "UniProtKB:P00558", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2096677", "category": ["biolink:ProteinFamily"], "name": "Phosphoglycerate kinase"}
{"name": "Phosphoglycerate kinase 2", "id": "UniProtKB:P07205", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2096682", "category": ["biolink:ProteinFamily"], "name": "Sodium channel alpha subunits; brain (Types I, II, III)"}
{"name": "Transient receptor potential cation channel subfamily V member 4", "xref": ["CHEMBL.TARGET:CHEMBL2775"], "id": "UniProtKB:Q9ERZ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096684", "category": ["biolink:ProteinFamily"], "name": "Vanilloid receptor"}
{"name": "Transient receptor potential cation channel subfamily V member 2", "xref": ["CHEMBL.TARGET:CHEMBL2863"], "id": "UniProtKB:Q9WUD2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Transient receptor potential cation channel subfamily V member 1", "xref": ["CHEMBL.TARGET:CHEMBL5102"], "id": "UniProtKB:O35433", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "GABA transporter 4", "synonym": ["Sodium- and chloride-dependent GABA transporter 3"], "xref": ["CHEMBL.TARGET:CHEMBL3699"], "id": "UniProtKB:P31650", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2096685", "category": ["biolink:ProteinFamily"], "name": "GABA transporter"}
{"name": "GABA transporter 2", "synonym": ["Sodium- and chloride-dependent betaine transporter"], "xref": ["CHEMBL.TARGET:CHEMBL4228"], "id": "UniProtKB:P31651", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "GABA transporter 3", "synonym": ["Sodium- and chloride-dependent GABA transporter 2"], "xref": ["CHEMBL.TARGET:CHEMBL5205"], "id": "UniProtKB:P31649", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Sodium- and chloride-dependent GABA transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL5445"], "id": "UniProtKB:P31648", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "5-hydroxytryptamine receptor 1E", "xref": ["CHEMBL.TARGET:CHEMBL2182"], "id": "UniProtKB:P28566", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5-hydroxytryptamine receptor 5A", "xref": ["CHEMBL.TARGET:CHEMBL3426"], "id": "UniProtKB:P47898", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "D(1A) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL2967"], "id": "UniProtKB:Q95136", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2096970", "category": ["biolink:ProteinFamily"], "name": "Dopamine receptor"}
{"name": "D(2) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL3998"], "id": "UniProtKB:P20288", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Carbonic anhydrase 2", "xref": ["CHEMBL.TARGET:CHEMBL2283"], "id": "UniProtKB:P00921", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2096971", "category": ["biolink:ProteinFamily"], "name": "Carbonic anhydrase"}
{"name": "Carbonic anhydrase 4", "xref": ["CHEMBL.TARGET:CHEMBL281"], "id": "UniProtKB:Q95323", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Carbonic anhydrase 6", "id": "UniProtKB:P18915", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Carbonic anhydrase 3", "xref": ["CHEMBL.TARGET:CHEMBL1944498"], "id": "UniProtKB:Q3SZX4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Glycylpeptide N-tetradecanoyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL2593"], "id": "UniProtKB:P30419", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2096973", "category": ["biolink:ProteinFamily"], "name": "Peptide N-myristoyltransferase"}
{"name": "Glycylpeptide N-tetradecanoyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL2849"], "id": "UniProtKB:O60551", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Somatostatin receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL2978"], "id": "UniProtKB:P30680", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096977", "category": ["biolink:ProteinFamily"], "name": "Somatostatin receptor"}
{"name": "Somatostatin receptor type 3", "xref": ["CHEMBL.TARGET:CHEMBL3340"], "id": "UniProtKB:P30936", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Somatostatin receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL4318"], "id": "UniProtKB:P30938", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Somatostatin receptor type 4", "id": "UniProtKB:P30937", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Somatostatin receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL4652"], "id": "UniProtKB:P28646", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096978", "category": ["biolink:ProteinFamily"], "name": "Thioredoxin reductase"}
{"name": "Thioredoxin reductase 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2403"], "id": "UniProtKB:Q9NNW7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thioredoxin reductase 3", "xref": ["CHEMBL.TARGET:CHEMBL3793"], "id": "UniProtKB:Q86VQ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit beta", "id": "UniProtKB:P23439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2096979", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 6"}
{"name": "Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'", "xref": ["CHEMBL.TARGET:CHEMBL3479"], "id": "UniProtKB:P16586", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3741"], "id": "UniProtKB:P11541", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Retinal cone rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma", "id": "UniProtKB:P22571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma", "id": "UniProtKB:P04972", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta", "id": "UniProtKB:Q95142", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2096981", "category": ["biolink:ProteinFamily"], "name": "Cannabinoid receptor"}
{"name": "Sterol O-acyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL2856"], "id": "UniProtKB:Q7TQM4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096983", "category": ["biolink:ProteinFamily"], "name": "Sterol O-acyltransferase, Soat"}
{"name": "Sterol O-acyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL285"], "id": "UniProtKB:O70536", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Chymotrypsin-like elastase family member 2A", "xref": ["CHEMBL.TARGET:CHEMBL2407"], "id": "UniProtKB:P08419", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.TARGET:CHEMBL2096984", "category": ["biolink:ProteinFamily"], "name": "Pancreatic elastase"}
{"name": "Chymotrypsin-like elastase family member 1", "xref": ["CHEMBL.TARGET:CHEMBL3517"], "id": "UniProtKB:P00772", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Sodium/hydrogen exchanger 1", "xref": ["CHEMBL.TARGET:CHEMBL2865"], "id": "UniProtKB:P23791", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.TARGET:CHEMBL2096985", "category": ["biolink:ProteinFamily"], "name": "Sodium/hydrogen exchanger"}
{"name": "Sodium/hydrogen exchanger 2", "xref": ["CHEMBL.TARGET:CHEMBL3770"], "id": "UniProtKB:P50482", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Sodium/hydrogen exchanger 3", "id": "UniProtKB:P26432", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Cholecystokinin receptor type A", "xref": ["CHEMBL.TARGET:CHEMBL2871"], "id": "UniProtKB:P30551", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096986", "category": ["biolink:ProteinFamily"], "name": "Cholecystokinin receptor"}
{"name": "Gastrin/cholecystokinin type B receptor", "xref": ["CHEMBL.TARGET:CHEMBL3508"], "id": "UniProtKB:P30553", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096989", "category": ["biolink:ProteinFamily"], "name": "Angiotensin-converting enzyme"}
{"name": "Angiotensin-converting enzyme 2", "xref": ["CHEMBL.TARGET:CHEMBL3736"], "id": "UniProtKB:Q9BYF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2097161", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase, PDE1/PDE5"}
{"name": "Muscarinic acetylcholine receptor M5", "xref": ["CHEMBL.TARGET:CHEMBL2324"], "id": "UniProtKB:Q920H4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2097162", "category": ["biolink:ProteinFamily"], "name": "Muscarinic acetylcholine receptor"}
{"name": "Muscarinic acetylcholine receptor M2", "xref": ["CHEMBL.TARGET:CHEMBL3197"], "id": "UniProtKB:Q9ERZ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Muscarinic acetylcholine receptor M1", "xref": ["CHEMBL.TARGET:CHEMBL3733"], "id": "UniProtKB:P12657", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Muscarinic acetylcholine receptor M4", "xref": ["CHEMBL.TARGET:CHEMBL4572"], "id": "UniProtKB:P32211", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Muscarinic acetylcholine receptor M3", "xref": ["CHEMBL.TARGET:CHEMBL5105"], "id": "UniProtKB:Q9ERZ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Retinal cone rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma", "id": "UniProtKB:Q13956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2097163", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 6"}
{"name": "Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma", "id": "UniProtKB:P18545", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta", "xref": ["CHEMBL.TARGET:CHEMBL3860"], "id": "UniProtKB:O43924", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium/calmodulin-dependent protein kinase type II subunit delta", "xref": ["CHEMBL.TARGET:CHEMBL2801"], "id": "UniProtKB:Q13557", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2097164", "category": ["biolink:ProteinFamily"], "name": "CaM kinase II"}
{"name": "Calcium/calmodulin-dependent protein kinase type II subunit gamma", "xref": ["CHEMBL.TARGET:CHEMBL3829"], "id": "UniProtKB:Q13555", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium/calmodulin-dependent protein kinase type II subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4121"], "id": "UniProtKB:Q13554", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium/calmodulin-dependent protein kinase type II subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4147"], "id": "UniProtKB:Q9UQM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B", "xref": ["CHEMBL.TARGET:CHEMBL2650"], "id": "UniProtKB:Q01061", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2097166", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 1"}
{"name": "Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A", "xref": ["CHEMBL.TARGET:CHEMBL3774"], "id": "UniProtKB:P14100", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Adenylate cyclase type 4", "id": "UniProtKB:Q8NFM4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2097167", "category": ["biolink:ProteinFamily"], "name": "Adenylate cyclase"}
{"name": "Adenylate cyclase type 9", "xref": ["CHEMBL.TARGET:CHEMBL2655"], "id": "UniProtKB:O60503", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylate cyclase type 1", "xref": ["CHEMBL.TARGET:CHEMBL2899"], "id": "UniProtKB:Q08828", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylate cyclase type 8", "xref": ["CHEMBL.TARGET:CHEMBL2960"], "id": "UniProtKB:P40145", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylate cyclase type 3", "xref": ["CHEMBL.TARGET:CHEMBL3164"], "id": "UniProtKB:O60266", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylate cyclase type 5", "xref": ["CHEMBL.TARGET:CHEMBL3189"], "id": "UniProtKB:O95622", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylate cyclase type 6", "id": "UniProtKB:O43306", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylate cyclase type 2", "xref": ["CHEMBL.TARGET:CHEMBL3760"], "id": "UniProtKB:Q08462", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylate cyclase type 7", "id": "UniProtKB:P51828", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2097168", "category": ["biolink:ProteinFamily"], "name": "Protein kinase C, PKC; classical"}
{"id": "CHEMBL.TARGET:CHEMBL2111408", "category": ["biolink:ProteinFamily"], "name": "Heart phosphodiesterase"}
{"name": "Phosphodiesterase 3B", "synonym": ["Phosphodiesterase"], "xref": ["CHEMBL.TARGET:CHEMBL5129"], "id": "UniProtKB:E1BN64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "High affinity 3',5'-cyclic-AMP phosphodiesterase 7A", "xref": ["CHEMBL.TARGET:CHEMBL3012"], "id": "UniProtKB:Q13946", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "3',5'-cyclic-AMP phosphodiesterase 7B", "xref": ["CHEMBL.TARGET:CHEMBL4716"], "id": "UniProtKB:Q9NP56", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111414", "category": ["biolink:ProteinFamily"], "name": "Tyrosine-protein kinase ABL"}
{"name": "Tyrosine-protein kinase ABL2", "xref": ["CHEMBL.TARGET:CHEMBL4014"], "id": "UniProtKB:P42684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cannabinoid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3037"], "id": "UniProtKB:P47746", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111415", "category": ["biolink:ProteinFamily"], "name": "Cannabinoid receptor"}
{"name": "Cannabinoid receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5373"], "id": "UniProtKB:P47936", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Alpha-2A adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL4744"], "id": "UniProtKB:Q28838", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2111420", "category": ["biolink:ProteinFamily"], "name": "Cerebral cortex alpha adrenergic receptor"}
{"name": "Alpha-1A adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL4892"], "id": "UniProtKB:P18130", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Somatostatin receptor type 3", "xref": ["CHEMBL.TARGET:CHEMBL2238"], "id": "UniProtKB:P30935", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111427", "category": ["biolink:ProteinFamily"], "name": "Somatostatin receptor"}
{"name": "Somatostatin receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL2733"], "id": "UniProtKB:O08858", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Somatostatin receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL3207"], "id": "UniProtKB:P30875", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Somatostatin receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL4242"], "id": "UniProtKB:P30873", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Somatostatin receptor type 4", "xref": ["CHEMBL.TARGET:CHEMBL4397"], "id": "UniProtKB:P49660", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111429", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase (HDAC1 and HDAC2)"}
{"id": "CHEMBL.TARGET:CHEMBL2111431", "category": ["biolink:ProteinFamily"], "name": "Epidermal growth factor receptor and ErbB2 (HER1 and HER2)"}
{"name": "Melanin-concentrating hormone receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5038"], "id": "UniProtKB:Q969V1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111437", "category": ["biolink:ProteinFamily"], "name": "Melanin-concentrating hormone receptor"}
{"name": "Melanin-concentrating hormone receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL344"], "id": "UniProtKB:Q99705", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neurotensin receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL2514"], "id": "UniProtKB:O95665", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111438", "category": ["biolink:ProteinFamily"], "name": "Neurotensin receptor"}
{"id": "CHEMBL.TARGET:CHEMBL2111439", "category": ["biolink:ProteinFamily"], "name": "VEGF-receptor 2 and Fibroblast growth factor receptor 1"}
{"name": "Amine oxidase [flavin-containing] B", "xref": ["CHEMBL.TARGET:CHEMBL3050"], "id": "UniProtKB:Q8BW75", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111442", "category": ["biolink:ProteinFamily"], "name": "Monoamine oxidase"}
{"name": "Amine oxidase [flavin-containing] A", "xref": ["CHEMBL.TARGET:CHEMBL3681"], "id": "UniProtKB:Q64133", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "S-adenosylmethionine synthase isoform type-1", "xref": ["CHEMBL.TARGET:CHEMBL2195"], "id": "UniProtKB:P13444", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111450", "category": ["biolink:ProteinFamily"], "name": "S-adenosylmethionine synthetase (MAT 1 and MAT 2)"}
{"name": "S-adenosylmethionine synthase isoform type-2", "xref": ["CHEMBL.TARGET:CHEMBL2838"], "id": "UniProtKB:P18298", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Inositol 1,4,5-trisphosphate-gated calcium channel ITPR2", "id": "UniProtKB:Q14571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111451", "category": ["biolink:ProteinFamily"], "name": "Inositol 1,4,5-trisphosphate receptor"}
{"name": "Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3", "xref": ["CHEMBL.TARGET:CHEMBL3904"], "id": "UniProtKB:Q14573", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inositol 1,4,5-trisphosphate-gated calcium channel ITPR1", "xref": ["CHEMBL.TARGET:CHEMBL4046"], "id": "UniProtKB:Q14643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-1D adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL2130"], "id": "UniProtKB:P97714", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111452", "category": ["biolink:ProteinFamily"], "name": "Alpha-1 adrenergic receptor"}
{"name": "Alpha-1B adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL2486"], "id": "UniProtKB:P97717", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Alpha-1A adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL2822"], "id": "UniProtKB:P97718", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Endothelin-1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL4566"], "id": "UniProtKB:P26684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111453", "category": ["biolink:ProteinFamily"], "name": "Endothelin receptor"}
{"name": "Endothelin receptor type B", "xref": ["CHEMBL.TARGET:CHEMBL4631"], "id": "UniProtKB:P21451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Mitogen-activated protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL2207"], "id": "UniProtKB:P63085", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111454", "category": ["biolink:ProteinFamily"], "name": "Mitogen-activated protein kinase 1 and 3 (ERK2 and ERK1)"}
{"name": "Mitogen-activated protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL5510"], "id": "UniProtKB:Q63844", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111457", "category": ["biolink:ProteinFamily"], "name": "Carbonic anhydrase V"}
{"name": "Casein kinase I isoform gamma-1", "xref": ["CHEMBL.TARGET:CHEMBL2426"], "id": "UniProtKB:Q9HCP0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111458", "category": ["biolink:ProteinFamily"], "name": "Casein kinase I"}
{"name": "Casein kinase I isoform gamma-2", "xref": ["CHEMBL.TARGET:CHEMBL2543"], "id": "UniProtKB:P78368", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rho-associated protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3231"], "id": "UniProtKB:Q13464", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111471", "category": ["biolink:ProteinFamily"], "name": "Toll-like receptor (TLR7/TLR9)"}
{"id": "CHEMBL.TARGET:CHEMBL2111472", "category": ["biolink:ProteinFamily"], "name": "Cytochrome P450 3A4/3A5"}
{"name": "Cytochrome P450 3A5", "xref": ["CHEMBL.TARGET:CHEMBL3019"], "id": "UniProtKB:P20815", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase 14", "xref": ["CHEMBL.TARGET:CHEMBL2336"], "id": "UniProtKB:P47811", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111473", "category": ["biolink:ProteinFamily"], "name": "MAP kinase p38"}
{"name": "Mitogen-activated protein kinase 12", "id": "UniProtKB:O08911", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Mitogen-activated protein kinase 11", "xref": ["CHEMBL.TARGET:CHEMBL4335"], "id": "UniProtKB:Q9WUI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Mitogen-activated protein kinase 13", "id": "UniProtKB:Q9Z1B7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Sodium- and chloride-dependent GABA transporter 3", "id": "UniProtKB:P31647", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111478", "category": ["biolink:ProteinFamily"], "name": "GABA transporter"}
{"name": "Sodium- and chloride-dependent GABA transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL4054"], "id": "UniProtKB:P23978", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium- and chloride-dependent GABA transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL4889"], "id": "UniProtKB:P31646", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium- and chloride-dependent betaine transporter", "id": "UniProtKB:P48056", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C", "id": "UniProtKB:Q63421", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111322", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 1"}
{"name": "Phosphodiesterase", "id": "UniProtKB:Q9EPR9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B", "id": "UniProtKB:Q01066", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sporulation initiation phosphotransferase F", "id": "UniProtKB:P06628", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:224308"]}
{"id": "CHEMBL.TARGET:CHEMBL2111331", "category": ["biolink:ProteinFamily"], "name": "KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F)"}
{"name": "Sporulation kinase A", "id": "UniProtKB:P16497", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:224308"]}
{"name": "5-hydroxytryptamine receptor 3B", "xref": ["CHEMBL.TARGET:CHEMBL3781"], "id": "UniProtKB:Q9JHJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111333", "category": ["biolink:ProteinFamily"], "name": "Serotonin 3 receptor (5HT3)"}
{"name": "5-hydroxytryptamine receptor 3A", "xref": ["CHEMBL.TARGET:CHEMBL4972"], "id": "UniProtKB:P23979", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Cholecystokinin receptor type A", "xref": ["CHEMBL.TARGET:CHEMBL2798"], "id": "UniProtKB:O08786", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111334", "category": ["biolink:ProteinFamily"], "name": "Cholecystokinin receptor"}
{"name": "Gastrin/cholecystokinin type B receptor", "xref": ["CHEMBL.TARGET:CHEMBL2854"], "id": "UniProtKB:P56481", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Metabotropic glutamate receptor 5", "xref": ["CHEMBL.TARGET:CHEMBL2564"], "id": "UniProtKB:P31424", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111335", "category": ["biolink:ProteinFamily"], "name": "Metabotropic glutamate receptor"}
{"name": "Metabotropic glutamate receptor 8", "xref": ["CHEMBL.TARGET:CHEMBL2718"], "id": "UniProtKB:P70579", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Metabotropic glutamate receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL2787"], "id": "UniProtKB:P31423", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Metabotropic glutamate receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL2851"], "id": "UniProtKB:P31421", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Metabotropic glutamate receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL3067"], "id": "UniProtKB:P31422", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Metabotropic glutamate receptor 6", "xref": ["CHEMBL.TARGET:CHEMBL3842"], "id": "UniProtKB:P35349", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Metabotropic glutamate receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL3879"], "id": "UniProtKB:P35400", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Metabotropic glutamate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4477"], "id": "UniProtKB:P23385", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Atrial natriuretic peptide receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL2247"], "id": "UniProtKB:P17342", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-2B adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL2405"], "id": "UniProtKB:P30545", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111338", "category": ["biolink:ProteinFamily"], "name": "Alpha-2 adrenergic receptor"}
{"name": "Alpha-2A adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL4075"], "id": "UniProtKB:Q01338", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Alpha-2C adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL4826"], "id": "UniProtKB:Q01337", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Platelet-derived growth factor receptor alpha", "id": "UniProtKB:P20786", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111344", "category": ["biolink:ProteinFamily"], "name": "Platelet-derived growth factor receptor (PDGFr)"}
{"name": "Platelet-derived growth factor receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL4125"], "id": "UniProtKB:Q05030", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Prostaglandin G/H synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL2649"], "id": "UniProtKB:P22437", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111349", "category": ["biolink:ProteinFamily"], "name": "Prostaglandin G/H synthase (cyclooxygenase)"}
{"name": "Prostaglandin G/H synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL4321"], "id": "UniProtKB:Q05769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Inosine-5'-monophosphate dehydrogenase 2", "xref": ["CHEMBL.TARGET:CHEMBL2002"], "id": "UniProtKB:P12268", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alcohol dehydrogenase E chain", "id": "UniProtKB:P00327", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9796"]}
{"id": "CHEMBL.TARGET:CHEMBL2111372", "category": ["biolink:ProteinFamily"], "name": "Alcohol dehydrogenase"}
{"name": "Alcohol dehydrogenase S chain", "id": "UniProtKB:P00328", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9796"]}
{"name": "Phosphodiesterase 4B", "synonym": ["Phosphodiesterase"], "xref": ["CHEMBL.TARGET:CHEMBL2272"], "id": "UniProtKB:Q8VBU5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111373", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 4"}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4C", "id": "UniProtKB:Q3UEI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4A", "id": "UniProtKB:O89084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "3',5'-cyclic-AMP phosphodiesterase 4D", "xref": ["CHEMBL.TARGET:CHEMBL3846"], "id": "UniProtKB:Q01063", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Thialysine N-epsilon-acetyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3794"], "id": "UniProtKB:Q6P8J2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111376", "category": ["biolink:ProteinFamily"], "name": "Spermidine/spermine N(1)-acetyltransferase (SAT)"}
{"name": "Diamine acetyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4775"], "id": "UniProtKB:P48026", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111382", "category": ["biolink:ProteinFamily"], "name": "Ca2+/calmodulin-dependent protein kinase II (CaM kinase II)"}
{"name": "Cannabinoid receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL2470"], "id": "UniProtKB:Q9QZN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111385", "category": ["biolink:ProteinFamily"], "name": "Cannabinoid receptor"}
{"name": "Cannabinoid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3571"], "id": "UniProtKB:P20272", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111386", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptor"}
{"name": "Adenosine receptor A1", "xref": ["CHEMBL.TARGET:CHEMBL318"], "id": "UniProtKB:P25099", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Adenosine receptor A3", "xref": ["CHEMBL.TARGET:CHEMBL3360"], "id": "UniProtKB:P28647", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Beta-secretase 2", "xref": ["CHEMBL.TARGET:CHEMBL2525"], "id": "UniProtKB:Q9Y5Z0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111390", "category": ["biolink:ProteinFamily"], "name": "Beta-secretase (BACE)"}
{"name": "Fibroblast growth factor receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3648"], "id": "UniProtKB:P21803", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111391", "category": ["biolink:ProteinFamily"], "name": "Fibroblast growth factor receptor"}
{"name": "Fibroblast growth factor receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL3839"], "id": "UniProtKB:Q03142", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Fibroblast growth factor receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3960"], "id": "UniProtKB:P16092", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Fibroblast growth factor receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4066"], "id": "UniProtKB:Q61851", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Beta-1 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL3440"], "id": "UniProtKB:P34971", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111395", "category": ["biolink:ProteinFamily"], "name": "Beta-adrenergic receptor"}
{"name": "Beta-2 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL3707"], "id": "UniProtKB:P18762", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Beta-3 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL4030"], "id": "UniProtKB:P25962", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Amine oxidase [flavin-containing] B", "xref": ["CHEMBL.TARGET:CHEMBL2756"], "id": "UniProtKB:P56560", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL2111399", "category": ["biolink:ProteinFamily"], "name": "Monoamine oxidase"}
{"name": "Amine oxidase [flavin-containing] A", "xref": ["CHEMBL.TARGET:CHEMBL3254"], "id": "UniProtKB:P21398", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "ATP-dependent translocase ABCB1", "xref": ["CHEMBL.TARGET:CHEMBL2573"], "id": "UniProtKB:P21447", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111404", "category": ["biolink:ProteinFamily"], "name": "P-glycoprotein 1 and 3 (MDR1a/MDR1b)"}
{"name": "ATP-dependent translocase ABCB1", "xref": ["CHEMBL.TARGET:CHEMBL3467"], "id": "UniProtKB:P06795", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111351", "category": ["biolink:ProteinFamily"], "name": "Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK)"}
{"name": "Tubulin beta chain", "xref": ["CHEMBL.TARGET:CHEMBL2788"], "id": "UniProtKB:P02554", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.TARGET:CHEMBL2111354", "category": ["biolink:ProteinFamily"], "name": "Tubulin"}
{"name": "Tubulin alpha chain", "synonym": ["Tubulin alpha-1A chain"], "xref": ["CHEMBL.TARGET:CHEMBL3658"], "id": "UniProtKB:P02550", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Mitogen-activated protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5233"], "id": "UniProtKB:P63086", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111356", "category": ["biolink:ProteinFamily"], "name": "Mitogen-activated protein kinase 1 and 3 (ERK2 and ERK1)"}
{"name": "Mitogen-activated protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL5809"], "id": "UniProtKB:P21708", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Prostaglandin G/H synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL2949"], "id": "UniProtKB:P05979", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9940"]}
{"id": "CHEMBL.TARGET:CHEMBL2111358", "category": ["biolink:ProteinFamily"], "name": "Prostaglandin G/H synthase (cyclooxygenase)"}
{"name": "Prostaglandin G/H synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL4102"], "id": "UniProtKB:P79208", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9940"]}
{"name": "D(4) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL2574"], "id": "UniProtKB:P51436", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL2111359", "category": ["biolink:ProteinFamily"], "name": "Dopamine receptor"}
{"name": "D(1B) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL2737"], "id": "UniProtKB:Q8BLD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "D(1A) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL3071"], "id": "UniProtKB:Q61616", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "D(2) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL3427"], "id": "UniProtKB:P61168", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "D(3) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL3441"], "id": "UniProtKB:P30728", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Corticotropin-releasing factor receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3581"], "id": "UniProtKB:P47866", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111360", "category": ["biolink:ProteinFamily"], "name": "Corticotropin releasing factor receptor"}
{"name": "Corticotropin-releasing factor receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4649"], "id": "UniProtKB:P35353", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2221343", "category": ["biolink:ProteinFamily"], "name": "Opioid receptors; mu and delta"}
{"id": "CHEMBL.TARGET:CHEMBL2221345", "category": ["biolink:ProteinFamily"], "name": "Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha"}
{"name": "Estrogen receptor", "xref": ["CHEMBL.TARGET:CHEMBL2021744"], "id": "UniProtKB:P49885", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9940"]}
{"id": "CHEMBL.TARGET:CHEMBL2304421", "category": ["biolink:ProteinFamily"], "name": "Estrogen receptor"}
{"name": "Estrogen receptor beta", "id": "UniProtKB:Q9TU15", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9940"]}
{"name": "Sodium channel protein type 7 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3585"], "id": "UniProtKB:Q01118", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "D-alanyl-D-alanine carboxypeptidase DacB", "id": "UniProtKB:P24228", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Peptidoglycan D,D-transpeptidase FtsI", "id": "UniProtKB:P0AD68", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Penicillin-binding protein 1A", "xref": ["CHEMBL.TARGET:CHEMBL1813"], "id": "UniProtKB:P02918", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Penicillin-binding protein 1B", "xref": ["CHEMBL.TARGET:CHEMBL1814"], "id": "UniProtKB:P02919", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "D-alanyl-D-alanine carboxypeptidase DacA", "id": "UniProtKB:P0AEB2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "D-alanyl-D-alanine carboxypeptidase DacC", "id": "UniProtKB:P08506", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Penicillin-binding protein 2b", "synonym": ["Penicillin-binding protein 3"], "xref": ["CHEMBL.TARGET:CHEMBL2565"], "id": "UniProtKB:Q9XDB3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"name": "Penicillin-binding protein 1A", "id": "UniProtKB:Q9RET4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1313"]}
{"name": "Penicillin-binding protein", "id": "UniProtKB:Q75YK0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1313"]}
{"name": "Penicillin-binding protein 2a", "id": "UniProtKB:Q75YD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1313"]}
{"name": "Penicillin-binding protein 2B", "id": "UniProtKB:Q54618", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1313"]}
{"name": "Penicillin-binding protein 2X", "id": "UniProtKB:Q75Y54", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1313"]}
{"name": "serine-type D-Ala-D-Ala carboxypeptidase", "id": "UniProtKB:Q75Y37", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1313"]}
{"name": "Potassium voltage-gated channel subfamily A member 2", "xref": ["CHEMBL.TARGET:CHEMBL2086"], "id": "UniProtKB:P16389", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily A member 7", "xref": ["CHEMBL.TARGET:CHEMBL2773"], "id": "UniProtKB:Q96RP8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated delayed rectifier potassium channel KCNH1", "xref": ["CHEMBL.TARGET:CHEMBL3841"], "id": "UniProtKB:O95259", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily A member 4", "xref": ["CHEMBL.TARGET:CHEMBL4205"], "id": "UniProtKB:P22459", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily A member 3", "xref": ["CHEMBL.TARGET:CHEMBL4633"], "id": "UniProtKB:P22001", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily A member 6", "xref": ["CHEMBL.TARGET:CHEMBL5279"], "id": "UniProtKB:P17658", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated potassium channel KCNC1", "xref": ["CHEMBL.TARGET:CHEMBL5529"], "id": "UniProtKB:P48547", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "A-type voltage-gated potassium channel KCND2", "xref": ["CHEMBL.TARGET:CHEMBL5885"], "id": "UniProtKB:Q9NZV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily B member 2", "xref": ["CHEMBL.TARGET:CHEMBL2321618"], "id": "UniProtKB:Q92953", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated potassium channel KCNC4", "id": "UniProtKB:Q03721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated potassium channel KCNC3", "id": "UniProtKB:Q14003", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily B member 1", "xref": ["CHEMBL.TARGET:CHEMBL2363000"], "id": "UniProtKB:Q14721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily A member 10", "xref": ["CHEMBL.TARGET:CHEMBL2363001"], "id": "UniProtKB:Q16322", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily V member 1", "id": "UniProtKB:Q6PIU1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated delayed rectifier potassium channel KCNH5", "id": "UniProtKB:Q8NCM2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated potassium channel regulatory subunit KCNG3", "id": "UniProtKB:Q8TAE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated potassium channel regulatory subunit KCNG4", "id": "UniProtKB:Q8TDN1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily V member 2", "id": "UniProtKB:Q8TDN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Delayed-rectifier potassium channel regulatory subunit KCNS1", "id": "UniProtKB:Q96KK3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated delayed rectifier potassium channel KCNH8", "id": "UniProtKB:Q96L42", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated potassium channel KCNC2", "xref": ["CHEMBL.TARGET:CHEMBL2363009"], "id": "UniProtKB:Q96PR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Delayed-rectifier potassium channel regulatory subunit KCNS3", "id": "UniProtKB:Q9BQ31", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated inwardly rectifying potassium channel KCNH6", "xref": ["CHEMBL.TARGET:CHEMBL2363011"], "id": "UniProtKB:Q9H252", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated potassium channel regulatory subunit KCNF1", "id": "UniProtKB:Q9H3M0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated inwardly rectifying potassium channel KCNH7", "id": "UniProtKB:Q9NS40", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "A-type voltage-gated potassium channel KCND1", "id": "UniProtKB:Q9NSA2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated potassium channel regulatory subunit KCNG1", "id": "UniProtKB:Q9UIX4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated potassium channel regulatory subunit KCNG2", "id": "UniProtKB:Q9UJ96", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated inwardly rectifying potassium channel KCNH3", "xref": ["CHEMBL.TARGET:CHEMBL2363017"], "id": "UniProtKB:Q9ULD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Delayed-rectifier potassium channel regulatory subunit KCNS2", "id": "UniProtKB:Q9ULS6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated delayed rectifier potassium channel KCNH4", "id": "UniProtKB:Q9UQ05", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Penicillin-binding protein 3", "synonym": ["Peptidoglycan D,D-transpeptidase FtsI"], "xref": ["CHEMBL.TARGET:CHEMBL5225"], "id": "UniProtKB:Q51504", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"name": "Penicillin-binding protein 2", "synonym": ["Peptidoglycan D,D-transpeptidase MrdA"], "xref": ["CHEMBL.TARGET:CHEMBL5539"], "id": "UniProtKB:Q9X6V3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"name": "Penicillin-binding protein 1B", "xref": ["CHEMBL.TARGET:CHEMBL5540"], "id": "UniProtKB:Q9X6W0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"name": "Peptidoglycan D,D-transpeptidase FtsI", "id": "UniProtKB:Q51505", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"name": "serine-type D-Ala-D-Ala carboxypeptidase", "id": "UniProtKB:Q9X6V7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"name": "Penicillin-binding protein 1A", "xref": ["CHEMBL.TARGET:CHEMBL3259512"], "id": "UniProtKB:Q07806", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "DNA polymerase alpha catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL1828"], "id": "UniProtKB:P09884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA polymerase delta subunit 4", "id": "UniProtKB:Q9HCU8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA polymerase delta subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL2260"], "id": "UniProtKB:Q15054", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA polymerase delta catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL2735"], "id": "UniProtKB:P28340", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA polymerase delta subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL2763"], "id": "UniProtKB:P49005", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA polymerase epsilon catalytic subunit A", "id": "UniProtKB:Q07864", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA polymerase alpha subunit B", "id": "UniProtKB:Q14181", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA primase small subunit", "id": "UniProtKB:P49642", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA primase large subunit", "id": "UniProtKB:P49643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA polymerase epsilon subunit 2", "id": "UniProtKB:P56282", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA polymerase epsilon subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL3833525"], "id": "UniProtKB:Q9NRF9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-B receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3290"], "id": "UniProtKB:P29323", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-A receptor 5", "xref": ["CHEMBL.TARGET:CHEMBL3987"], "id": "UniProtKB:P54756", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-A receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL3988"], "id": "UniProtKB:P54764", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-A receptor 8", "xref": ["CHEMBL.TARGET:CHEMBL4134"], "id": "UniProtKB:P29322", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-A receptor 6", "xref": ["CHEMBL.TARGET:CHEMBL4526"], "id": "UniProtKB:Q9UF33", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-A receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL4602"], "id": "UniProtKB:Q15375", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-B receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4901"], "id": "UniProtKB:P54753", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-B receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5072"], "id": "UniProtKB:P54762", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-A receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5810"], "id": "UniProtKB:P21709", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-B receptor 6", "xref": ["CHEMBL.TARGET:CHEMBL5836"], "id": "UniProtKB:O15197", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ephrin type-A receptor 10", "id": "UniProtKB:Q5JZY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "cGMP-dependent 3',5'-cyclic phosphodiesterase", "xref": ["CHEMBL.TARGET:CHEMBL2652"], "id": "UniProtKB:O00408", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B", "xref": ["CHEMBL.TARGET:CHEMBL4408"], "id": "UniProtKB:O95263", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A", "xref": ["CHEMBL.TARGET:CHEMBL4640"], "id": "UniProtKB:O60658", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Retinoic acid receptor RXR-beta", "xref": ["CHEMBL.TARGET:CHEMBL1870"], "id": "UniProtKB:P28702", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase Blk", "xref": ["CHEMBL.TARGET:CHEMBL2250"], "id": "UniProtKB:P51451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase Fgr", "xref": ["CHEMBL.TARGET:CHEMBL4454"], "id": "UniProtKB:P09769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase Srms", "xref": ["CHEMBL.TARGET:CHEMBL5703"], "id": "UniProtKB:Q9H3Y6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "3-oxo-5-alpha-steroid 4-dehydrogenase 1", "xref": ["CHEMBL.TARGET:CHEMBL1787"], "id": "UniProtKB:P18405", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polyprenal reductase", "id": "UniProtKB:Q9H8P0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 3A43", "xref": ["CHEMBL.TARGET:CHEMBL5792"], "id": "UniProtKB:Q9HB55", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 3A7", "xref": ["CHEMBL.TARGET:CHEMBL3341582"], "id": "UniProtKB:P24462", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Envelope glycoprotein B", "id": "UniProtKB:P10211", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein C", "id": "UniProtKB:P10228", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein D", "id": "UniProtKB:Q69091", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein E", "id": "UniProtKB:P04488", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein G", "id": "UniProtKB:P06484", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein H", "id": "UniProtKB:P06477", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein I", "id": "UniProtKB:P06487", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein J", "id": "UniProtKB:P06480", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein K", "id": "UniProtKB:P68331", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein L", "id": "UniProtKB:P10185", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein M", "id": "UniProtKB:P04288", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Envelope glycoprotein N", "id": "UniProtKB:O09800", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10299"]}
{"name": "Cytochrome P450", "id": "UniProtKB:E0VCW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VXT9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VBK5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VDM3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0W115", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0W2B1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VHZ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VDR0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VSD4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VRD2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VMV7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0W389", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VHL8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VSD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VCW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VM29", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VGV6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VV39", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VUR0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0V9R7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VQ46", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VAD1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VV52", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VMV6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VED4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VV72", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VQ45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VZW4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VJJ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VCA5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P450, putative", "id": "UniProtKB:E0VMW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VQ47", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VUR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Cytochrome P-450, putative", "id": "UniProtKB:E0VV70", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "NADH-Ubiquinone oxidoreductase 39kDa subunit", "id": "UniProtKB:E0W4F7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"name": "Calcium-activated chloride channel regulator family member 3", "id": "UniProtKB:Q9Y6N3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2364708", "category": ["biolink:ProteinFamily"], "name": "Calcium-activated chloride channel"}
{"name": "Calcium-activated chloride channel regulator 1", "id": "UniProtKB:A8K7I4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium-activated chloride channel regulator 2", "id": "UniProtKB:Q9UQC9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium-activated chloride channel regulator 4", "id": "UniProtKB:Q14CN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glycogen synthase kinase 3 beta", "synonym": ["Glycogen synthase kinase-3 beta"], "xref": ["CHEMBL.TARGET:CHEMBL1909485"], "id": "UniProtKB:B2LUN4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.TARGET:CHEMBL2366565", "category": ["biolink:ProteinFamily"], "name": "Glycogen synthase kinase-3"}
{"name": "Glycogen synthase kinase 3 alpha", "synonym": ["[tau protein] kinase"], "xref": ["CHEMBL.TARGET:CHEMBL4295554"], "id": "UniProtKB:I6LNT8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Phospholipase A2, major isoenzyme", "xref": ["CHEMBL.TARGET:CHEMBL4715"], "id": "UniProtKB:P00592", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.TARGET:CHEMBL2366566", "category": ["biolink:ProteinFamily"], "name": "Phospholipase A2"}
{"name": "Phospholipase A2, minor isoenzyme", "id": "UniProtKB:P04416", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Chitin synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL1961"], "id": "UniProtKB:P30572", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"id": "CHEMBL.TARGET:CHEMBL2366568", "category": ["biolink:ProteinFamily"], "name": "Chitin synthase"}
{"name": "Chitin synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL3480"], "id": "UniProtKB:P23316", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"name": "Chitin synthase 3", "id": "UniProtKB:P30573", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"name": "Juvenile hormone esterase, isoform A", "id": "UniProtKB:P30809", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7111"]}
{"id": "CHEMBL.TARGET:CHEMBL2366569", "category": ["biolink:ProteinFamily"], "name": "Juvenile hormone esterase"}
{"name": "Juvenile hormone esterase, isoform B", "id": "UniProtKB:P30810", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7111"]}
{"name": "Acetyl-CoA carboxylase", "id": "UniProtKB:Q3V4F7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4513"]}
{"id": "CHEMBL.TARGET:CHEMBL2366573", "category": ["biolink:ProteinFamily"], "name": "Acetyl-CoA carboxylase"}
{"name": "Acetyl-Coa carboxylase", "id": "UniProtKB:Q3V4I7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4513"]}
{"name": "biotin carboxylase", "id": "UniProtKB:Q947J4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:112509"]}
{"name": "biotin carboxylase", "id": "UniProtKB:Q947J5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:112509"]}
{"name": "Acetyl-CoA carboxylase", "id": "UniProtKB:Q40010", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4513"]}
{"name": "Chloroplast acetyl-CoA carboxylase", "id": "UniProtKB:Q5S741", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4513"]}
{"name": "Chloroplast acetyl-CoA carboxylase", "id": "UniProtKB:Q5S747", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4513"]}
{"name": "Acetolactate synthase 1, chloroplastic", "id": "UniProtKB:Q41768", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4577"]}
{"id": "CHEMBL.TARGET:CHEMBL2366574", "category": ["biolink:ProteinFamily"], "name": "Acetolactate synthase"}
{"name": "Acetolactate synthase 2, chloroplastic", "id": "UniProtKB:Q41769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4577"]}
{"name": "Calpain-2 catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL2382"], "id": "UniProtKB:P17655", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038466", "category": ["biolink:ProteinFamily"], "name": "Calpain1/2"}
{"id": "CHEMBL.TARGET:CHEMBL3038476", "category": ["biolink:ProteinFamily"], "name": "ORAI 1/2/3"}
{"name": "fMet-Leu-Phe receptor", "xref": ["CHEMBL.TARGET:CHEMBL3359"], "id": "UniProtKB:P21462", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038479", "category": ["biolink:ProteinFamily"], "name": "fMet-Leu-Phe receptor 1/2"}
{"name": "N-formyl peptide receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4227"], "id": "UniProtKB:P25090", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038483", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase 1/3/5/8"}
{"name": "Beta-hexosaminidase subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL5877"], "id": "UniProtKB:P07686", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038485", "category": ["biolink:ProteinFamily"], "name": "Beta-N-acetyl-D-hexosaminidase-A/B"}
{"name": "Beta-hexosaminidase subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL1250415"], "id": "UniProtKB:P06865", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone lysine demethylase PHF8", "xref": ["CHEMBL.TARGET:CHEMBL1938212"], "id": "UniProtKB:Q9UPP1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038496", "category": ["biolink:ProteinFamily"], "name": "Lysine-specific demethylase 7A/7B"}
{"name": "Lysine-specific demethylase 7A", "xref": ["CHEMBL.TARGET:CHEMBL2163177"], "id": "UniProtKB:Q6ZMT4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysine-specific demethylase 7A", "id": "UniProtKB:Q3UWM4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3038497", "category": ["biolink:ProteinFamily"], "name": "Lysine-specific demethylase 7A/7B"}
{"name": "Histone lysine demethylase PHF8", "id": "UniProtKB:Q80TJ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Microtubule-associated serine/threonine-protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL1163128"], "id": "UniProtKB:Q9Y2H9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038500", "category": ["biolink:ProteinFamily"], "name": "MAST1/MAST2"}
{"name": "Microtubule-associated serine/threonine-protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL2417355"], "id": "UniProtKB:Q6P0Q8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase 8", "xref": ["CHEMBL.TARGET:CHEMBL1795174"], "id": "UniProtKB:Q91Y86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3038501", "category": ["biolink:ProteinFamily"], "name": "JNK1/JNK2"}
{"name": "Mitogen-activated protein kinase 9", "xref": ["CHEMBL.TARGET:CHEMBL2034797"], "id": "UniProtKB:Q9WTU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3038502", "category": ["biolink:ProteinFamily"], "name": "JNK2/JNK3"}
{"id": "CHEMBL.TARGET:CHEMBL3038503", "category": ["biolink:ProteinFamily"], "name": "p38 delta/gamma"}
{"id": "CHEMBL.TARGET:CHEMBL3038507", "category": ["biolink:ProteinFamily"], "name": "Nociceptin/mu opioid receptor"}
{"name": "Nociceptin receptor", "xref": ["CHEMBL.TARGET:CHEMBL4503"], "id": "UniProtKB:P35370", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Poly [ADP-ribose] polymerase tankyrase-2", "xref": ["CHEMBL.TARGET:CHEMBL6154"], "id": "UniProtKB:Q9H2K2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Poly [ADP-ribose] polymerase tankyrase-1", "xref": ["CHEMBL.TARGET:CHEMBL6164"], "id": "UniProtKB:O95271", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3038517", "category": ["biolink:ProteinFamily"], "name": "CDK2/CDK4"}
{"name": "Kappa-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL3952"], "id": "UniProtKB:P41144", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.TARGET:CHEMBL3038518", "category": ["biolink:ProteinFamily"], "name": "mu/kappa opioid receptor"}
{"name": "Mu-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL4354"], "id": "UniProtKB:P97266", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.TARGET:CHEMBL3137267", "category": ["biolink:ProteinFamily"], "name": "PKC alpha and beta-2"}
{"name": "Toll-like receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL6085"], "id": "UniProtKB:P58681", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3137280", "category": ["biolink:ProteinFamily"], "name": "TLR7 and TLR8"}
{"name": "Toll-like receptor 8", "xref": ["CHEMBL.TARGET:CHEMBL2146339"], "id": "UniProtKB:P58682", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3137288", "category": ["biolink:ProteinFamily"], "name": "TLR7 and TLR8"}
{"id": "CHEMBL.TARGET:CHEMBL3301381", "category": ["biolink:ProteinFamily"], "name": "Serotonin 1B/1D receptor"}
{"name": "Lysophosphatidic acid receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4424"], "id": "UniProtKB:Q8K5E0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3301393", "category": ["biolink:ProteinFamily"], "name": "Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3"}
{"name": "Lysophosphatidic acid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4595"], "id": "UniProtKB:P61794", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Protein mono-ADP-ribosyltransferase PARP3", "xref": ["CHEMBL.TARGET:CHEMBL5083"], "id": "UniProtKB:Q9Y6F1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Betaine--homocysteine S-methyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4328"], "id": "UniProtKB:Q93088", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "S-methylmethionine--homocysteine S-methyltransferase BHMT2", "xref": ["CHEMBL.TARGET:CHEMBL2163167"], "id": "UniProtKB:Q9H2M3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity mitogen-activated protein kinase kinase 1", "id": "UniProtKB:Q01986", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3430876", "category": ["biolink:ProteinFamily"], "name": "Dual specificity mitogen-activated protein kinase kinase MEK1/2"}
{"name": "Dual specificity mitogen-activated protein kinase kinase 2", "id": "UniProtKB:P36506", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Bifunctional purine biosynthesis protein ATIC", "xref": ["CHEMBL.TARGET:CHEMBL2518"], "id": "UniProtKB:P31939", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430882", "category": ["biolink:ProteinFamily"], "name": "GAR transformylase/AICAR transformylase"}
{"id": "CHEMBL.TARGET:CHEMBL3430896", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase 1/2/3/6"}
{"id": "CHEMBL.TARGET:CHEMBL3430897", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase 1/2/3"}
{"name": "DNA polymerase subunit gamma-1", "xref": ["CHEMBL.TARGET:CHEMBL2732"], "id": "UniProtKB:P54098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430903", "category": ["biolink:ProteinFamily"], "name": "DNA polymerase subunit gamma-1/gamma-2"}
{"name": "DNA polymerase subunit gamma-2", "id": "UniProtKB:Q9UHN1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430905", "category": ["biolink:ProteinFamily"], "name": "Caspase-3/Caspase-7"}
{"name": "Caspase-7", "xref": ["CHEMBL.TARGET:CHEMBL3468"], "id": "UniProtKB:P55210", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "11-beta-hydroxysteroid dehydrogenase type 2", "xref": ["CHEMBL.TARGET:CHEMBL3746"], "id": "UniProtKB:P80365", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3542431", "category": ["biolink:ProteinFamily"], "name": "Deiodinase"}
{"name": "Type II iodothyronine deiodinase", "id": "UniProtKB:Q92813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thyroxine 5-deiodinase", "xref": ["CHEMBL.TARGET:CHEMBL3611"], "id": "UniProtKB:P55073", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Flavin-containing monooxygenase 3", "xref": ["CHEMBL.TARGET:CHEMBL3430864"], "id": "UniProtKB:P31513", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3542432", "category": ["biolink:ProteinFamily"], "name": "Flavin-containing monooxygenase"}
{"name": "Flavin-containing monooxygenase 2", "id": "UniProtKB:Q99518", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dimethylaniline monooxygenase [N-oxide-forming] 4", "id": "UniProtKB:P31512", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Flavin-containing monooxygenase 5", "xref": ["CHEMBL.TARGET:CHEMBL3430871"], "id": "UniProtKB:P49326", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Flavin-containing monooxygenase 1", "xref": ["CHEMBL.TARGET:CHEMBL3430872"], "id": "UniProtKB:Q01740", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sulfotransferase 1A1", "xref": ["CHEMBL.TARGET:CHEMBL1743291"], "id": "UniProtKB:P50225", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3542433", "category": ["biolink:ProteinFamily"], "name": "Phenol sulfotransferase"}
{"name": "Sulfotransferase 1A2", "xref": ["CHEMBL.TARGET:CHEMBL1743292"], "id": "UniProtKB:P50226", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sulfotransferase 1A3", "xref": ["CHEMBL.TARGET:CHEMBL1743293"], "id": "UniProtKB:P0DMM9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3542434", "category": ["biolink:ProteinFamily"], "name": "Aldehyde dehydrogenase"}
{"name": "4-trimethylaminobutyraldehyde dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL2542"], "id": "UniProtKB:P49189", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aldehyde dehydrogenase family 3 member B2", "id": "UniProtKB:P48448", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aldehyde dehydrogenase 1A1", "xref": ["CHEMBL.TARGET:CHEMBL3577"], "id": "UniProtKB:P00352", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aldehyde dehydrogenase, dimeric NADP-preferring", "xref": ["CHEMBL.TARGET:CHEMBL3578"], "id": "UniProtKB:P30838", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Retinaldehyde dehydrogenase 3", "xref": ["CHEMBL.TARGET:CHEMBL3579"], "id": "UniProtKB:P47895", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aldehyde dehydrogenase family 3 member B1", "id": "UniProtKB:P43353", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aldehyde dehydrogenase X, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4881"], "id": "UniProtKB:P30837", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Retinal dehydrogenase 2", "xref": ["CHEMBL.TARGET:CHEMBL3112384"], "id": "UniProtKB:O94788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3414418"], "id": "UniProtKB:P30038", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Uridine-cytidine kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL2469"], "id": "UniProtKB:Q9BZX2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3542438", "category": ["biolink:ProteinFamily"], "name": "Uridine-cytidine kinase"}
{"name": "Uridine-cytidine kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5682"], "id": "UniProtKB:Q9HA47", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 1A1", "xref": ["CHEMBL.TARGET:CHEMBL2231"], "id": "UniProtKB:P04798", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3544905", "category": ["biolink:ProteinFamily"], "name": "Cytochrome P450 1A"}
{"name": "Cytochrome P450 1A2", "xref": ["CHEMBL.TARGET:CHEMBL3356"], "id": "UniProtKB:P05177", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase pim-1", "xref": ["CHEMBL.TARGET:CHEMBL2147"], "id": "UniProtKB:P11309", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase pim-2", "xref": ["CHEMBL.TARGET:CHEMBL4523"], "id": "UniProtKB:Q9P1W9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase pim-3", "xref": ["CHEMBL.TARGET:CHEMBL5407"], "id": "UniProtKB:Q86V86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 3A25", "id": "UniProtKB:O09158", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3637781", "category": ["biolink:ProteinFamily"], "name": "Cytochrome P450 3A"}
{"name": "Cytochrome P450 3A13", "id": "UniProtKB:Q64464", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Cytochrome P450 3A16", "id": "UniProtKB:Q64481", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Cytochrome P450 3A41", "id": "UniProtKB:Q9JMA7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA topoisomerase 4 subunit B", "id": "UniProtKB:Q5HPI6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:176279"]}
{"id": "CHEMBL.TARGET:CHEMBL3706563", "category": ["biolink:ProteinFamily"], "name": "DNA topoisomerase 4"}
{"name": "DNA topoisomerase 4 subunit A", "id": "UniProtKB:Q5HPI5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:176279"]}
{"name": "Aminopeptidase N", "xref": ["CHEMBL.TARGET:CHEMBL1907"], "id": "UniProtKB:P15144", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Puromycin-sensitive aminopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL2264"], "id": "UniProtKB:P55786", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aminopeptidase B", "xref": ["CHEMBL.TARGET:CHEMBL2432"], "id": "UniProtKB:Q9H4A4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Methionine aminopeptidase 1", "xref": ["CHEMBL.TARGET:CHEMBL2474"], "id": "UniProtKB:P53582", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leucyl-cystinyl aminopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL2693"], "id": "UniProtKB:Q9UIQ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aspartyl aminopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL2761"], "id": "UniProtKB:Q9ULA0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Xaa-Pro aminopeptidase 1", "xref": ["CHEMBL.TARGET:CHEMBL3782"], "id": "UniProtKB:Q9NQW7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytosol aminopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL3965"], "id": "UniProtKB:P28838", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Xaa-Pro aminopeptidase 2", "xref": ["CHEMBL.TARGET:CHEMBL4610"], "id": "UniProtKB:O43895", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Endoplasmic reticulum aminopeptidase 2", "xref": ["CHEMBL.TARGET:CHEMBL5043"], "id": "UniProtKB:Q6P179", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Endoplasmic reticulum aminopeptidase 1", "xref": ["CHEMBL.TARGET:CHEMBL5939"], "id": "UniProtKB:Q9NZ08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aminopeptidase Q", "id": "UniProtKB:Q6Q4G3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aminopeptidase O", "id": "UniProtKB:Q8N6M6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Methionine aminopeptidase 1D, mitochondrial", "id": "UniProtKB:Q6UB28", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable aminopeptidase NPEPL1", "id": "UniProtKB:Q8NDH3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aminopeptidase RNPEPL1", "id": "UniProtKB:Q9HAU8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Xaa-Pro aminopeptidase 3", "id": "UniProtKB:Q9NQH7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane prolyl 4-hydroxylase", "xref": ["CHEMBL.TARGET:CHEMBL3047"], "id": "UniProtKB:Q9NXG6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tryptophan 5-hydroxylase 2", "xref": ["CHEMBL.TARGET:CHEMBL5433"], "id": "UniProtKB:Q8IWU9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caspase-4", "xref": ["CHEMBL.TARGET:CHEMBL2226"], "id": "UniProtKB:P49662", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caspase-5", "xref": ["CHEMBL.TARGET:CHEMBL3131"], "id": "UniProtKB:P51878", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caspase-6", "xref": ["CHEMBL.TARGET:CHEMBL3308"], "id": "UniProtKB:P55212", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caspase-2", "xref": ["CHEMBL.TARGET:CHEMBL4884"], "id": "UniProtKB:P42575", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caspase-10", "xref": ["CHEMBL.TARGET:CHEMBL5037"], "id": "UniProtKB:Q92851", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caspase-14", "xref": ["CHEMBL.TARGET:CHEMBL5991"], "id": "UniProtKB:P31944", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inactive caspase-12", "id": "UniProtKB:Q6UXS9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sarcoplasmic/endoplasmic reticulum calcium ATPase 3", "xref": ["CHEMBL.TARGET:CHEMBL2401"], "id": "UniProtKB:Q93084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sarcoplasmic/endoplasmic reticulum calcium ATPase 1", "xref": ["CHEMBL.TARGET:CHEMBL3136"], "id": "UniProtKB:O14983", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal protein S6 kinase alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL2345"], "id": "UniProtKB:P51812", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3832633", "category": ["biolink:ProteinFamily"], "name": "Ribosomal protein S6 kinase"}
{"name": "Ribosomal protein S6 kinase alpha-4", "xref": ["CHEMBL.TARGET:CHEMBL3125"], "id": "UniProtKB:O75676", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal protein S6 kinase alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL3906"], "id": "UniProtKB:Q15349", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal protein S6 kinase alpha-5", "xref": ["CHEMBL.TARGET:CHEMBL4237"], "id": "UniProtKB:O75582", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal protein S6 kinase alpha-6", "xref": ["CHEMBL.TARGET:CHEMBL4924"], "id": "UniProtKB:Q9UK32", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal protein S6 kinase alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL2553"], "id": "UniProtKB:Q15418", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3832941", "category": ["biolink:ProteinFamily"], "name": "Tubulin alpha"}
{"name": "Tubulin alpha chain-like 3", "id": "UniProtKB:A6NHL2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin alpha-8 chain", "xref": ["CHEMBL.TARGET:CHEMBL3714503"], "id": "UniProtKB:Q9NY65", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin beta 8B", "id": "UniProtKB:A6NNZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3832943", "category": ["biolink:ProteinFamily"], "name": "Casein kinase 2"}
{"name": "Casein kinase II subunit alpha 3", "id": "UniProtKB:Q8NEV1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone deacetylase 8", "xref": ["CHEMBL.TARGET:CHEMBL2347"], "id": "UniProtKB:Q8VH37", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3832944", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase"}
{"name": "Histone deacetylase 5", "xref": ["CHEMBL.TARGET:CHEMBL2768"], "id": "UniProtKB:Q9Z2V6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Histone deacetylase 6", "synonym": ["Protein deacetylase HDAC6"], "xref": ["CHEMBL.TARGET:CHEMBL2878"], "id": "UniProtKB:Q9Z2V5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Histone deacetylase 1", "xref": ["CHEMBL.TARGET:CHEMBL4001"], "id": "UniProtKB:O09106", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Histone deacetylase 7", "id": "UniProtKB:Q8C2B3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Histone deacetylase 2", "xref": ["CHEMBL.TARGET:CHEMBL4238"], "id": "UniProtKB:P70288", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Histone deacetylase 3", "xref": ["CHEMBL.TARGET:CHEMBL5142"], "id": "UniProtKB:O88895", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Histone deacetylase 11", "id": "UniProtKB:Q91WA3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Histone deacetylase 9", "id": "UniProtKB:Q99N13", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Histone deacetylase 4", "id": "UniProtKB:Q6NZM9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Polyamine deacetylase HDAC10", "id": "UniProtKB:Q6P3E7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Casein kinase II subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3537"], "id": "UniProtKB:Q60737", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3832945", "category": ["biolink:ProteinFamily"], "name": "Casein kinase 2"}
{"name": "Casein kinase II subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4095"], "id": "UniProtKB:P67871", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Casein kinase II subunit alpha'", "xref": ["CHEMBL.TARGET:CHEMBL5326"], "id": "UniProtKB:O54833", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Casein kinase II subunit alpha'-interacting protein", "id": "UniProtKB:Q8CH19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Poly [ADP-ribose] polymerase tankyrase-1", "xref": ["CHEMBL.TARGET:CHEMBL3232702"], "id": "UniProtKB:Q6PFX9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3832946", "category": ["biolink:ProteinFamily"], "name": "Tankyrase"}
{"name": "Poly [ADP-ribose] polymerase tankyrase-2", "xref": ["CHEMBL.TARGET:CHEMBL3232703"], "id": "UniProtKB:Q3UES3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Calcitonin gene-related peptide 1", "xref": ["CHEMBL.TARGET:CHEMBL5293"], "id": "UniProtKB:P06881", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcitonin gene-related peptide 2", "xref": ["CHEMBL.TARGET:CHEMBL3713541"], "id": "UniProtKB:P10092", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sucrase-isomaltase, intestinal", "xref": ["CHEMBL.TARGET:CHEMBL2748"], "id": "UniProtKB:P14410", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable maltase-glucoamylase 2", "id": "UniProtKB:Q2M2H8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hyaluronidase-2", "id": "UniProtKB:Q8SQG8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL3833905", "category": ["biolink:ProteinFamily"], "name": "Hyaluronidase"}
{"name": "Hyaluronidase-1", "id": "UniProtKB:Q5E985", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Interferon alpha-6", "id": "UniProtKB:P05013", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon alpha-8", "id": "UniProtKB:P32881", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon alpha-5", "id": "UniProtKB:P01569", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon alpha-10", "id": "UniProtKB:P01566", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon alpha-7", "id": "UniProtKB:P01567", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon alpha-21", "id": "UniProtKB:P01568", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon alpha-16", "id": "UniProtKB:P05015", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon alpha-14", "id": "UniProtKB:P01570", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon alpha-17", "id": "UniProtKB:P01571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon alpha-4", "id": "UniProtKB:P05014", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "MAP kinase-interacting serine/threonine-protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL4204"], "id": "UniProtKB:Q9HBH9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "MAP kinase-interacting serine/threonine-protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4718"], "id": "UniProtKB:Q9BUB5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883296", "category": ["biolink:ProteinFamily"], "name": "Serine/threonine-protein kinase Chk1/2"}
{"id": "CHEMBL.TARGET:CHEMBL3883300", "category": ["biolink:ProteinFamily"], "name": "CREB-binding protein/Histone acetyltransferase p300"}
{"name": "CREB-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL5747"], "id": "UniProtKB:Q92793", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "dTDP-4-dehydrorhamnose reductase", "xref": ["CHEMBL.TARGET:CHEMBL1938225"], "id": "UniProtKB:P9WH09", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.TARGET:CHEMBL3883301", "category": ["biolink:ProteinFamily"], "name": "dTDP-4-dehydrorhamnose 3,5-epimerase /dTDP-4-dehydrorhamnose reductase"}
{"name": "dTDP-4-dehydrorhamnose 3,5-epimerase", "id": "UniProtKB:P9WH11", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.TARGET:CHEMBL3883302", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase 1/2"}
{"id": "CHEMBL.TARGET:CHEMBL3883303", "category": ["biolink:ProteinFamily"], "name": "Aurora kinase A/B"}
{"id": "CHEMBL.TARGET:CHEMBL3883318", "category": ["biolink:ProteinFamily"], "name": "Transforming protein RhoA/Rho-related GTP-binding protein RhoC"}
{"name": "Rho-related GTP-binding protein RhoC", "xref": ["CHEMBL.TARGET:CHEMBL5465545"], "id": "UniProtKB:P08134", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885502", "category": ["biolink:ProteinFamily"], "name": "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/Delta(24)-sterol reductase"}
{"id": "CHEMBL.TARGET:CHEMBL3885505", "category": ["biolink:ProteinFamily"], "name": "Matrix metalloproteinase 2/9"}
{"name": "Acetyl-CoA carboxylase 1", "xref": ["CHEMBL.TARGET:CHEMBL2397"], "id": "UniProtKB:P11497", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885506", "category": ["biolink:ProteinFamily"], "name": "Acetyl-CoA carboxylase"}
{"name": "Acetyl-Coenzyme A carboxylase 2", "synonym": ["acetyl-CoA carboxylase"], "xref": ["CHEMBL.TARGET:CHEMBL5125"], "id": "UniProtKB:Q1HEC0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Acetyl-CoA carboxylase 1", "xref": ["CHEMBL.TARGET:CHEMBL3351"], "id": "UniProtKB:Q13085", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acetyl-CoA carboxylase 2", "xref": ["CHEMBL.TARGET:CHEMBL4829"], "id": "UniProtKB:O00763", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acyl-protein thioesterase 1", "xref": ["CHEMBL.TARGET:CHEMBL2280"], "id": "UniProtKB:P70470", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885510", "category": ["biolink:ProteinFamily"], "name": "Acyl-protein thioesterase 1/2"}
{"name": "Acyl-protein thioesterase 2", "xref": ["CHEMBL.TARGET:CHEMBL3784905"], "id": "UniProtKB:Q9QYL8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Beta-galactosidase", "xref": ["CHEMBL.TARGET:CHEMBL3482"], "id": "UniProtKB:Q58D55", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL3885526", "category": ["biolink:ProteinFamily"], "name": "Beta-galactosidase/Glucosylceramidase"}
{"name": "Glucosylceramidase", "synonym": ["Lysosomal acid glucosylceramidase"], "xref": ["CHEMBL.TARGET:CHEMBL1275219"], "id": "UniProtKB:Q2KHZ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL3885527", "category": ["biolink:ProteinFamily"], "name": "Thymidylate synthase/AICAR transformylase"}
{"id": "CHEMBL.TARGET:CHEMBL3885528", "category": ["biolink:ProteinFamily"], "name": "Thymidylate synthase/GAR transformylase/AICAR transformylase"}
{"name": "ATP-binding cassette sub-family C member 2", "xref": ["CHEMBL.TARGET:CHEMBL5748"], "id": "UniProtKB:Q92887", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885536", "category": ["biolink:ProteinFamily"], "name": "Canalicular multispecific organic anion transporter 1/Solute carrier organic anion transporter family member 1B1"}
{"name": "Solute carrier organic anion transporter family member 1B1", "xref": ["CHEMBL.TARGET:CHEMBL1697668"], "id": "UniProtKB:Q9Y6L6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885553", "category": ["biolink:ProteinFamily"], "name": "Cyclin-dependent kinase 4/6"}
{"id": "CHEMBL.TARGET:CHEMBL3885556", "category": ["biolink:ProteinFamily"], "name": "Cyclin-dependent kinase 8/19"}
{"name": "Dipeptidyl peptidase 8", "xref": ["CHEMBL.TARGET:CHEMBL4657"], "id": "UniProtKB:Q6V1X1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885564", "category": ["biolink:ProteinFamily"], "name": "Dipeptidyl peptidase 8/9"}
{"name": "Dipeptidyl peptidase 9", "xref": ["CHEMBL.TARGET:CHEMBL4793"], "id": "UniProtKB:Q86TI2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity mitogen-activated protein kinase kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5860"], "id": "UniProtKB:P31938", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885565", "category": ["biolink:ProteinFamily"], "name": "Dual specificity mitogen-activated protein kinase kinase 1/2"}
{"name": "Dual specificity mitogen-activated protein kinase kinase 2", "id": "UniProtKB:Q63932", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885566", "category": ["biolink:ProteinFamily"], "name": "Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase"}
{"name": "Heat shock 70 kDa protein 1A", "xref": ["CHEMBL.TARGET:CHEMBL5460"], "id": "UniProtKB:P0DMV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heat shock 70 kDa protein 1B", "id": "UniProtKB:P0DMV9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Suppressor of tumorigenicity 14 protein", "xref": ["CHEMBL.TARGET:CHEMBL3018"], "id": "UniProtKB:Q9Y5Y6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885586", "category": ["biolink:ProteinFamily"], "name": "Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein"}
{"name": "Serine protease hepsin", "xref": ["CHEMBL.TARGET:CHEMBL2079849"], "id": "UniProtKB:P05981", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hepatocyte growth factor activator", "synonym": ["Hepatocyte growth factor activator serine protease"], "xref": ["CHEMBL.TARGET:CHEMBL3351190"], "id": "UniProtKB:Q04756", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone acetyltransferase KAT2B", "xref": ["CHEMBL.TARGET:CHEMBL5500"], "id": "UniProtKB:Q92831", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885587", "category": ["biolink:ProteinFamily"], "name": "Histone acetyltransferase KAT2A/KAT2B"}
{"name": "Histone acetyltransferase KAT2A", "xref": ["CHEMBL.TARGET:CHEMBL5501"], "id": "UniProtKB:Q92830", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885589", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase 1/8"}
{"name": "Histone-lysine N-methyltransferase EHMT1", "xref": ["CHEMBL.TARGET:CHEMBL6031"], "id": "UniProtKB:Q9H9B1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885593", "category": ["biolink:ProteinFamily"], "name": "Histone-lysine N-methyltransferase EHMT1/EHMT2"}
{"name": "Histone-lysine N-methyltransferase EHMT2", "xref": ["CHEMBL.TARGET:CHEMBL6032"], "id": "UniProtKB:Q96KQ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "LIM domain kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL5932"], "id": "UniProtKB:P53671", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885599", "category": ["biolink:ProteinFamily"], "name": "LIM domain kinase 1/2"}
{"name": "LIM domain kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3836"], "id": "UniProtKB:P53667", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysophosphatidic acid receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL3250"], "id": "UniProtKB:Q9UBY5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885601", "category": ["biolink:ProteinFamily"], "name": "Lysophosphatidic acid receptor 1/3"}
{"id": "CHEMBL.TARGET:CHEMBL3885602", "category": ["biolink:ProteinFamily"], "name": "Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1"}
{"id": "CHEMBL.TARGET:CHEMBL3885603", "category": ["biolink:ProteinFamily"], "name": "Mitogen-activated protein kinase 9/10"}
{"name": "Mitogen-activated protein kinase 10", "xref": ["CHEMBL.TARGET:CHEMBL2331057"], "id": "UniProtKB:Q61831", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Mothers against decapentaplegic homolog 3", "xref": ["CHEMBL.TARGET:CHEMBL1293258"], "id": "UniProtKB:P84022", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885604", "category": ["biolink:ProteinFamily"], "name": "Mothers against decapentaplegic homolog 2/homolog 3"}
{"name": "Mothers against decapentaplegic homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL2396512"], "id": "UniProtKB:Q15796", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mothers against decapentaplegic homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL3784912"], "id": "UniProtKB:O70436", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885605", "category": ["biolink:ProteinFamily"], "name": "Mothers against decapentaplegic homolog 2/homolog 3"}
{"name": "Mothers against decapentaplegic homolog 3", "xref": ["CHEMBL.TARGET:CHEMBL3784913"], "id": "UniProtKB:P84025", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885616", "category": ["biolink:ProteinFamily"], "name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial"}
{"id": "CHEMBL.TARGET:CHEMBL3885617", "category": ["biolink:ProteinFamily"], "name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform"}
{"name": "Phospho-N-acetylmuramoyl-pentapeptide-transferase", "xref": ["CHEMBL.TARGET:CHEMBL3957"], "id": "UniProtKB:P0A6W3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.TARGET:CHEMBL3885618", "category": ["biolink:ProteinFamily"], "name": "Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase"}
{"name": "UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase", "xref": ["CHEMBL.TARGET:CHEMBL3596078"], "id": "UniProtKB:P17443", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.TARGET:CHEMBL3885623", "category": ["biolink:ProteinFamily"], "name": "Prostaglandin E synthase/G/H synthase 2"}
{"name": "Prostaglandin E synthase", "xref": ["CHEMBL.TARGET:CHEMBL5658"], "id": "UniProtKB:O14684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885625", "category": ["biolink:ProteinFamily"], "name": "Proteasome subunit beta type-1/beta type-5"}
{"id": "CHEMBL.TARGET:CHEMBL3885627", "category": ["biolink:ProteinFamily"], "name": "Protein kinase C iota type/zeta type"}
{"id": "CHEMBL.TARGET:CHEMBL3885629", "category": ["biolink:ProteinFamily"], "name": "RAC-alpha serine/threonine-protein kinase/Ribosomal protein S6 kinase beta-1"}
{"name": "Serine-protein kinase ATM", "xref": ["CHEMBL.TARGET:CHEMBL3797"], "id": "UniProtKB:Q13315", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885635", "category": ["biolink:ProteinFamily"], "name": "Serine-protein kinase ATM/ATR"}
{"name": "Serine/threonine-protein kinase PAK 2", "xref": ["CHEMBL.TARGET:CHEMBL4487"], "id": "UniProtKB:Q13177", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885636", "category": ["biolink:ProteinFamily"], "name": "Serine/threonine-protein kinase PAK 1/PAK 2"}
{"name": "Serine/threonine-protein kinase PAK 3", "xref": ["CHEMBL.TARGET:CHEMBL2999"], "id": "UniProtKB:O75914", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885637", "category": ["biolink:ProteinFamily"], "name": "Serine/threonine-protein kinase PAK 1/PAK 2/PAK 3"}
{"id": "CHEMBL.TARGET:CHEMBL3885639", "category": ["biolink:ProteinFamily"], "name": "Small ubiquitin-related modifier 2/3 (SUMO 2/3)"}
{"name": "Small ubiquitin-related modifier 3", "id": "UniProtKB:P55854", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885642", "category": ["biolink:ProteinFamily"], "name": "TYK2/JAK1/JAK2"}
{"name": "Tyrosine-protein kinase JAK2", "xref": ["CHEMBL.TARGET:CHEMBL1649049"], "id": "UniProtKB:Q62120", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885649", "category": ["biolink:ProteinFamily"], "name": "Tyrosine-protein kinase JAK1/JAK2"}
{"id": "CHEMBL.TARGET:CHEMBL3885650", "category": ["biolink:ProteinFamily"], "name": "Tyrosine-protein kinase JAK1/JAK3"}
{"name": "Tyrosine-protein kinase JAK3", "xref": ["CHEMBL.TARGET:CHEMBL5250"], "id": "UniProtKB:Q62137", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Transferrin receptor protein 2", "id": "UniProtKB:Q9UP52", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HLA class II histocompatibility antigen, DR beta 3 chain", "xref": ["CHEMBL.TARGET:CHEMBL3460"], "id": "UniProtKB:P79483", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HLA class II histocompatibility antigen, DR beta 5 chain", "id": "UniProtKB:Q30154", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HLA class II histocompatibility antigen, DR beta 4 chain", "id": "UniProtKB:P13762", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 4", "id": "UniProtKB:F1S1A7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.TARGET:CHEMBL3988627", "category": ["biolink:ProteinFamily"], "name": "Aggrecanase"}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 5", "id": "UniProtKB:F1SHP0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Cytochrome P450 11B2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3237"], "id": "UniProtKB:P30099", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3988630", "category": ["biolink:ProteinFamily"], "name": "Cytochrome P450 11B"}
{"name": "Cytochrome P450 11B1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4970"], "id": "UniProtKB:P15393", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Heat shock factor protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5869"], "id": "UniProtKB:Q00613", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3988631", "category": ["biolink:ProteinFamily"], "name": "Heat shock factor protein"}
{"name": "Heat shock factor protein 2", "id": "UniProtKB:Q03933", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heat shock factor protein 4", "id": "UniProtKB:Q9ULV5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1C", "xref": ["CHEMBL.TARGET:CHEMBL2529"], "id": "UniProtKB:Q01815", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3988632", "category": ["biolink:ProteinFamily"], "name": "L-type calcium channel"}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1S", "id": "UniProtKB:Q02789", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1D", "id": "UniProtKB:Q99246", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1F", "xref": ["CHEMBL.TARGET:CHEMBL2176791"], "id": "UniProtKB:Q9JIS7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha-1C", "xref": ["CHEMBL.TARGET:CHEMBL2366456"], "id": "UniProtKB:O35505", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.TARGET:CHEMBL3988633", "category": ["biolink:ProteinFamily"], "name": "L-type calcium channel"}
{"name": "Voltage-dependent L-type calcium channel subunit alpha", "id": "UniProtKB:H0VIT6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha", "id": "UniProtKB:H0W4W8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"name": "Voltage-dependent L-type calcium channel subunit alpha", "id": "UniProtKB:H0W390", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.TARGET:CHEMBL3988635", "category": ["biolink:ProteinFamily"], "name": "Phosphatidylinositol 3-kinase"}
{"name": "Sodium channel protein type 11 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL2629"], "id": "UniProtKB:O88457", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3988641", "category": ["biolink:ProteinFamily"], "name": "Voltage-gated sodium channel"}
{"name": "Sodium channel protein type 8 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL2752"], "id": "UniProtKB:O88420", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium channel protein type 9 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3312"], "id": "UniProtKB:O08562", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium channel protein type 4 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3509"], "id": "UniProtKB:P15390", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium channel protein type 5 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3866"], "id": "UniProtKB:P15389", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium channel protein type 10 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4017"], "id": "UniProtKB:Q62968", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium channel protein type 7 subunit alpha", "id": "UniProtKB:F1LQQ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4106154", "category": ["biolink:ProteinFamily"], "name": "Group II metabotropic glutamate receptor (mGlu2/mGlu3)"}
{"name": "Sialidase-1", "xref": ["CHEMBL.TARGET:CHEMBL4105926"], "id": "UniProtKB:O35657", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106170", "category": ["biolink:ProteinFamily"], "name": "Sialidase NEU1/NEU4"}
{"name": "Sialidase-4", "id": "UniProtKB:Q8BZL1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Superoxide dismutase [Cu-Zn]", "xref": ["CHEMBL.TARGET:CHEMBL2354"], "id": "UniProtKB:P00441", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106171", "category": ["biolink:ProteinFamily"], "name": "Superoxide dismutase 1/2"}
{"name": "Superoxide dismutase [Mn], mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4105776"], "id": "UniProtKB:P04179", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106172", "category": ["biolink:ProteinFamily"], "name": "Glucocerebrosidase GBA1/GBA2"}
{"name": "Beta-glucosidase", "synonym": ["Non-lysosomal glucosylceramidase"], "xref": ["CHEMBL.TARGET:CHEMBL3761"], "id": "UniProtKB:Q9HCG7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium voltage-gated channel subfamily A member 1", "xref": ["CHEMBL.TARGET:CHEMBL5190"], "id": "UniProtKB:P10499", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4106173", "category": ["biolink:ProteinFamily"], "name": "Potassium voltage-gated channel subfamily A member 1/2 (Kv1.1/Kv1.2)"}
{"name": "Potassium voltage-gated channel subfamily A member 2", "xref": ["CHEMBL.TARGET:CHEMBL4105982"], "id": "UniProtKB:P63142", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4106174", "category": ["biolink:ProteinFamily"], "name": "Topoisomerase I/II"}
{"id": "CHEMBL.TARGET:CHEMBL4106175", "category": ["biolink:ProteinFamily"], "name": "Serine/threonine-protein kinase Rac alpha/beta"}
{"name": "Dual specificity protein kinase CLK4", "xref": ["CHEMBL.TARGET:CHEMBL4203"], "id": "UniProtKB:Q9HAZ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106176", "category": ["biolink:ProteinFamily"], "name": "Dual specificity protein kinase CLK1/CLK4"}
{"name": "Dual specificity protein kinase CLK1", "xref": ["CHEMBL.TARGET:CHEMBL4224"], "id": "UniProtKB:P49759", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106177", "category": ["biolink:ProteinFamily"], "name": "Rho GTPase Rac1/CDC42"}
{"name": "Ras-related C3 botulinum toxin substrate 1", "xref": ["CHEMBL.TARGET:CHEMBL6094"], "id": "UniProtKB:P63000", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuropeptide Y receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL4739851"], "id": "UniProtKB:Q04573", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106178", "category": ["biolink:ProteinFamily"], "name": "Neuropeptide Y receptor type 1/2"}
{"name": "Neuropeptide Y receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL4739850"], "id": "UniProtKB:P97295", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106179", "category": ["biolink:ProteinFamily"], "name": "Ribosomal protein S6 kinase alpha-1/alpha-3"}
{"id": "CHEMBL.TARGET:CHEMBL4106180", "category": ["biolink:ProteinFamily"], "name": "p38 MAP kinase alpha/beta"}
{"name": "Sialidase-3", "id": "UniProtKB:Q9JMH7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106181", "category": ["biolink:ProteinFamily"], "name": "Sialidase NEU3/NEU4"}
{"id": "CHEMBL.TARGET:CHEMBL4106182", "category": ["biolink:ProteinFamily"], "name": "Toll-like receptor 3/8/9"}
{"id": "CHEMBL.TARGET:CHEMBL4106183", "category": ["biolink:ProteinFamily"], "name": "Glutaminase 1/2"}
{"name": "Glutaminase liver isoform, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4105730"], "id": "UniProtKB:Q9UI32", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106184", "category": ["biolink:ProteinFamily"], "name": "CDK4/CDK9"}
{"name": "Cyclin-dependent kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL2134"], "id": "UniProtKB:P30285", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106185", "category": ["biolink:ProteinFamily"], "name": "CDK2/CDK4"}
{"name": "Cyclin-dependent kinase 2", "id": "UniProtKB:P97377", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Cyclin-dependent kinase 9", "xref": ["CHEMBL.TARGET:CHEMBL4105875"], "id": "UniProtKB:Q99J95", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4106186", "category": ["biolink:ProteinFamily"], "name": "CDK2/CDK9"}
{"id": "CHEMBL.TARGET:CHEMBL4106187", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase 1/6"}
{"id": "CHEMBL.TARGET:CHEMBL4296070", "category": ["biolink:ProteinFamily"], "name": "Somatostatin receptor type 2/type 5"}
{"id": "CHEMBL.TARGET:CHEMBL4296071", "category": ["biolink:ProteinFamily"], "name": "Sialidase 2/3/4"}
{"name": "Sialidase-2", "id": "UniProtKB:Q9JMH3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296072", "category": ["biolink:ProteinFamily"], "name": "Histone deacetylase 6/3"}
{"name": "Lysine-specific demethylase 5A", "xref": ["CHEMBL.TARGET:CHEMBL2424504"], "id": "UniProtKB:P29375", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296073", "category": ["biolink:ProteinFamily"], "name": "Lysine-specific demethylase 5A/5B"}
{"name": "Lysine-specific demethylase 5B", "xref": ["CHEMBL.TARGET:CHEMBL3774295"], "id": "UniProtKB:Q9UGL1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleoside diphosphate kinase A", "xref": ["CHEMBL.TARGET:CHEMBL2159"], "id": "UniProtKB:P15531", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296074", "category": ["biolink:ProteinFamily"], "name": "Nucleoside diphosphate kinase A/B"}
{"name": "Nucleoside diphosphate kinase B", "xref": ["CHEMBL.TARGET:CHEMBL2160"], "id": "UniProtKB:P22392", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase TBK1", "xref": ["CHEMBL.TARGET:CHEMBL2189160"], "id": "UniProtKB:Q9WUN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296094", "category": ["biolink:ProteinFamily"], "name": "TBK1/IKBKE"}
{"name": "Inhibitor of nuclear factor kappa-B kinase subunit epsilon", "id": "UniProtKB:Q9R0T8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296098", "category": ["biolink:ProteinFamily"], "name": "Mitogen-activated protein kinase 8/9"}
{"name": "Low-density lipoprotein receptor-related protein 6", "id": "UniProtKB:O88572", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296099", "category": ["biolink:ProteinFamily"], "name": "Low-density lipoprotein receptor-related protein 5/6"}
{"name": "Low-density lipoprotein receptor-related protein 5", "id": "UniProtKB:Q91VN0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296247", "category": ["biolink:ProteinFamily"], "name": "Cry1/Cry2"}
{"name": "Cryptochrome-1", "xref": ["CHEMBL.TARGET:CHEMBL4296246"], "id": "UniProtKB:Q16526", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bromodomain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL1293289"], "id": "UniProtKB:P25440", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bromodomain testis-specific protein", "xref": ["CHEMBL.TARGET:CHEMBL1795185"], "id": "UniProtKB:Q58F21", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bromodomain-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL1795186"], "id": "UniProtKB:Q15059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytoplasmic tyrosine-protein kinase BMX", "xref": ["CHEMBL.TARGET:CHEMBL3834"], "id": "UniProtKB:P51813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase Tec", "xref": ["CHEMBL.TARGET:CHEMBL4246"], "id": "UniProtKB:P42680", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase TXK", "xref": ["CHEMBL.TARGET:CHEMBL4367"], "id": "UniProtKB:P42681", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Oxysterols receptor LXR-alpha", "xref": ["CHEMBL.TARGET:CHEMBL2189152"], "id": "UniProtKB:Q9Z0Y9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4523608", "category": ["biolink:ProteinFamily"], "name": "Oxysterols receptor LXR-alpha/beta"}
{"name": "Oxysterols receptor LXR-beta", "xref": ["CHEMBL.TARGET:CHEMBL2417346"], "id": "UniProtKB:Q60644", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Epoxide hydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL1968"], "id": "UniProtKB:P07099", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523609", "category": ["biolink:ProteinFamily"], "name": "Epoxide hydrolase 1/Bifunctional epoxide hydrolase 2"}
{"id": "CHEMBL.TARGET:CHEMBL4523610", "category": ["biolink:ProteinFamily"], "name": "Casein kinase I isoform alpha/delta"}
{"name": "Relaxin-3 receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1628472"], "id": "UniProtKB:Q9NSD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523612", "category": ["biolink:ProteinFamily"], "name": "Relaxin-3 receptor 1/2"}
{"name": "Relaxin-3 receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL1628473"], "id": "UniProtKB:Q8TDU9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein lin-28 homolog B", "xref": ["CHEMBL.TARGET:CHEMBL4295873"], "id": "UniProtKB:Q6ZN17", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523614", "category": ["biolink:ProteinFamily"], "name": "Protein lin-28 homolog A/B"}
{"name": "Protein lin-28 homolog A", "xref": ["CHEMBL.TARGET:CHEMBL4523458"], "id": "UniProtKB:Q9H9Z2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glycogen synthase kinase-3 beta", "xref": ["CHEMBL.TARGET:CHEMBL1075321"], "id": "UniProtKB:Q9WV60", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4523615", "category": ["biolink:ProteinFamily"], "name": "Glycogen synthase kinase-3 alpha/beta"}
{"name": "Glycogen synthase kinase-3 alpha", "xref": ["CHEMBL.TARGET:CHEMBL2176843"], "id": "UniProtKB:Q2NL51", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4523616", "category": ["biolink:ProteinFamily"], "name": "RPS6KA1/RPS6KA2/RPS6KA3"}
{"id": "CHEMBL.TARGET:CHEMBL4523619", "category": ["biolink:ProteinFamily"], "name": "MAPK3/MAPK7"}
{"name": "Mitogen-activated protein kinase 7", "xref": ["CHEMBL.TARGET:CHEMBL5332"], "id": "UniProtKB:Q13164", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Guanine nucleotide-binding protein G(q) subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3286079"], "id": "UniProtKB:P50148", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523620", "category": ["biolink:ProteinFamily"], "name": "GNAQ/GNA11"}
{"name": "Guanine nucleotide-binding protein subunit alpha-11", "xref": ["CHEMBL.TARGET:CHEMBL4295740"], "id": "UniProtKB:P29992", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523622", "category": ["biolink:ProteinFamily"], "name": "NTRK1/NTRK2"}
{"name": "Signal transducer and activator of transcription 5A", "xref": ["CHEMBL.TARGET:CHEMBL5403"], "id": "UniProtKB:P42229", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523625", "category": ["biolink:ProteinFamily"], "name": "STAT5A/STAT5B"}
{"name": "Signal transducer and activator of transcription 5B", "xref": ["CHEMBL.TARGET:CHEMBL5817"], "id": "UniProtKB:P51692", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger protein GLI1", "xref": ["CHEMBL.TARGET:CHEMBL5007"], "id": "UniProtKB:P47806", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4523629", "category": ["biolink:ProteinFamily"], "name": "Zinc finger protein GLI1/GLI2"}
{"name": "Zinc finger protein GLI2", "id": "UniProtKB:Q0VGT2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Acid-sensing ion channel 1", "xref": ["CHEMBL.TARGET:CHEMBL3232694"], "id": "UniProtKB:Q6NXK8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4523651", "category": ["biolink:ProteinFamily"], "name": "Acid-sensing ion channel 1/2"}
{"name": "Acid-sensing ion channel 2", "xref": ["CHEMBL.TARGET:CHEMBL3232695"], "id": "UniProtKB:Q925H0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Serine/threonine-protein kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL4598"], "id": "UniProtKB:Q13043", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523663", "category": ["biolink:ProteinFamily"], "name": "Serine/threonine-protein kinase 3/4"}
{"name": "Serine/threonine-protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL4708"], "id": "UniProtKB:Q13188", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 1A4", "xref": ["CHEMBL.TARGET:CHEMBL3619"], "id": "UniProtKB:P22310", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523985", "category": ["biolink:ProteinFamily"], "name": "UDP-glucuronosyltransferases (UGTs)"}
{"name": "UDP-glucuronosyltransferase 2B7", "xref": ["CHEMBL.TARGET:CHEMBL4370"], "id": "UniProtKB:P16662", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 2B17", "xref": ["CHEMBL.TARGET:CHEMBL4978"], "id": "UniProtKB:O75795", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 2B10", "xref": ["CHEMBL.TARGET:CHEMBL6160"], "id": "UniProtKB:P36537", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 2B15", "xref": ["CHEMBL.TARGET:CHEMBL6161"], "id": "UniProtKB:P54855", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 2B28", "xref": ["CHEMBL.TARGET:CHEMBL6189"], "id": "UniProtKB:Q9BY64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 2B4", "xref": ["CHEMBL.TARGET:CHEMBL6196"], "id": "UniProtKB:P06133", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 1A9", "xref": ["CHEMBL.TARGET:CHEMBL1743319"], "id": "UniProtKB:O60656", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 1A10", "xref": ["CHEMBL.TARGET:CHEMBL1743320"], "id": "UniProtKB:Q9HAW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 2A1", "xref": ["CHEMBL.TARGET:CHEMBL1743321"], "id": "UniProtKB:P0DTE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 1A1", "xref": ["CHEMBL.TARGET:CHEMBL1287617"], "id": "UniProtKB:P22309", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 1-6", "synonym": ["UDP-glucuronosyltransferase 1A6"], "xref": ["CHEMBL.TARGET:CHEMBL1743316"], "id": "UniProtKB:P19224", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 1A7", "xref": ["CHEMBL.TARGET:CHEMBL1743317"], "id": "UniProtKB:Q9HAW7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 1A8", "xref": ["CHEMBL.TARGET:CHEMBL1743318"], "id": "UniProtKB:Q9HAW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 1A3", "xref": ["CHEMBL.TARGET:CHEMBL3542435"], "id": "UniProtKB:P35503", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 1A5", "id": "UniProtKB:P35504", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 2A3", "id": "UniProtKB:Q6UWM9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 2B11", "id": "UniProtKB:O75310", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucuronosyltransferase 2A2", "id": "UniProtKB:P0DTE5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523986", "category": ["biolink:ProteinFamily"], "name": "Cytochrome P450"}
{"name": "Cytochrome P450 2C18", "xref": ["CHEMBL.TARGET:CHEMBL2408"], "id": "UniProtKB:P33260", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 4F2", "xref": ["CHEMBL.TARGET:CHEMBL3379"], "id": "UniProtKB:P78329", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2C9", "xref": ["CHEMBL.TARGET:CHEMBL3397"], "id": "UniProtKB:P11712", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2J2", "xref": ["CHEMBL.TARGET:CHEMBL3491"], "id": "UniProtKB:P51589", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2C19", "xref": ["CHEMBL.TARGET:CHEMBL3622"], "id": "UniProtKB:P33261", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2C8", "xref": ["CHEMBL.TARGET:CHEMBL3721"], "id": "UniProtKB:P10632", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2D6", "xref": ["CHEMBL.TARGET:CHEMBL289"], "id": "UniProtKB:P10635", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 4A11", "xref": ["CHEMBL.TARGET:CHEMBL3978"], "id": "UniProtKB:Q02928", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2B6", "xref": ["CHEMBL.TARGET:CHEMBL4729"], "id": "UniProtKB:P20813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 1B1", "xref": ["CHEMBL.TARGET:CHEMBL4878"], "id": "UniProtKB:Q16678", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2A6", "xref": ["CHEMBL.TARGET:CHEMBL5282"], "id": "UniProtKB:P11509", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2E1", "xref": ["CHEMBL.TARGET:CHEMBL5281"], "id": "UniProtKB:P05181", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2W1", "xref": ["CHEMBL.TARGET:CHEMBL2406897"], "id": "UniProtKB:Q8TAV3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 4F3", "xref": ["CHEMBL.TARGET:CHEMBL3508692"], "id": "UniProtKB:Q08477", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2A13", "xref": ["CHEMBL.TARGET:CHEMBL3542436"], "id": "UniProtKB:Q16696", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 4F8", "xref": ["CHEMBL.TARGET:CHEMBL4523270"], "id": "UniProtKB:P98187", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2A7", "id": "UniProtKB:P20853", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2F1", "id": "UniProtKB:P24903", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vitamin D 25-hydroxylase", "id": "UniProtKB:Q6VVX0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2S1", "id": "UniProtKB:Q96SQ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 2U1", "id": "UniProtKB:Q7Z449", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 4A22", "id": "UniProtKB:Q5TCH4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 4B1", "id": "UniProtKB:P13584", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chymotrypsin-C", "xref": ["CHEMBL.TARGET:CHEMBL2386"], "id": "UniProtKB:Q99895", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523987", "category": ["biolink:ProteinFamily"], "name": "Chymotrypsin"}
{"name": "Chymotrypsinogen B", "xref": ["CHEMBL.TARGET:CHEMBL4796"], "id": "UniProtKB:P17538", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chymotrypsin-like protease CTRL-1", "xref": ["CHEMBL.TARGET:CHEMBL4873"], "id": "UniProtKB:P40313", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chymotrypsinogen B2", "id": "UniProtKB:Q6GPI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523988", "category": ["biolink:ProteinFamily"], "name": "Class 1 histone deacetylase"}
{"id": "CHEMBL.TARGET:CHEMBL4523989", "category": ["biolink:ProteinFamily"], "name": "Class 1 histone deacetylase"}
{"name": "Serine/threonine-protein kinase LATS2", "xref": ["CHEMBL.TARGET:CHEMBL5907"], "id": "UniProtKB:Q9NRM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523992", "category": ["biolink:ProteinFamily"], "name": "Serine/threonine-protein kinase LATS"}
{"name": "Serine/threonine-protein kinase LATS1", "xref": ["CHEMBL.TARGET:CHEMBL6167"], "id": "UniProtKB:O95835", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Antigen-presenting glycoprotein CD1d1", "xref": ["CHEMBL.TARGET:CHEMBL4523182"], "id": "UniProtKB:P11609", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4523997", "category": ["biolink:ProteinFamily"], "name": "Antigen-presenting glycoprotein CD1d"}
{"name": "Antigen-presenting glycoprotein CD1d2", "id": "UniProtKB:P11610", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "5'-AMP-activated protein kinase catalytic subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL1075161"], "id": "UniProtKB:Q5EG47", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4524004", "category": ["biolink:ProteinFamily"], "name": "5'-AMP-activated protein kinase"}
{"name": "5'-AMP-activated protein kinase catalytic subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL1255154"], "id": "UniProtKB:Q8BRK8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "5'-AMP-activated protein kinase subunit beta-2", "xref": ["CHEMBL.TARGET:CHEMBL3708161"], "id": "UniProtKB:Q6PAM0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "5'-AMP-activated protein kinase subunit gamma-1", "id": "UniProtKB:O54950", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "5'-AMP-activated protein kinase subunit gamma-2", "id": "UniProtKB:Q91WG5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "5'-AMP-activated protein kinase subunit beta-1", "id": "UniProtKB:Q9R078", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "5'-AMP-activated protein kinase subunit gamma-3", "id": "UniProtKB:Q8BGM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Putative inactive group IIC secretory phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL2097"], "id": "UniProtKB:Q5R387", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524005", "category": ["biolink:ProteinFamily"], "name": "Secretory phospholipase A2"}
{"name": "Group IIE secretory phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL2154"], "id": "UniProtKB:Q9NZK7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Group IIF secretory phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL4278"], "id": "UniProtKB:Q9BZM2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Group IID secretory phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL4281"], "id": "UniProtKB:Q9UNK4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL4426"], "id": "UniProtKB:P04054", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Group 3 secretory phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL4667"], "id": "UniProtKB:Q9NZ20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Group XIIA secretory phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL6122"], "id": "UniProtKB:Q9BZM1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Group XIIB secretory phospholipase A2-like protein", "id": "UniProtKB:Q9BX93", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GTPase HRas", "xref": ["CHEMBL.TARGET:CHEMBL2167"], "id": "UniProtKB:P01112", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GTPase NRas", "xref": ["CHEMBL.TARGET:CHEMBL2079845"], "id": "UniProtKB:P01111", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524007", "category": ["biolink:ProteinFamily"], "name": "Notch receptor"}
{"name": "Neurogenic locus notch homolog protein 4", "xref": ["CHEMBL.TARGET:CHEMBL3407321"], "id": "UniProtKB:Q99466", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Galanin receptor type 3", "xref": ["CHEMBL.TARGET:CHEMBL2731"], "id": "UniProtKB:O60755", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524008", "category": ["biolink:ProteinFamily"], "name": "Galanin receptor"}
{"name": "Galanin receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL3176"], "id": "UniProtKB:O43603", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Galanin receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL4894"], "id": "UniProtKB:P47211", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524009", "category": ["biolink:ProteinFamily"], "name": "Sigma receptor"}
{"name": "Sigma intracellular receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4105907"], "id": "UniProtKB:Q5BJF2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuromedin-B receptor", "xref": ["CHEMBL.TARGET:CHEMBL3636"], "id": "UniProtKB:P28336", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524010", "category": ["biolink:ProteinFamily"], "name": "Bombesin receptor"}
{"name": "Bombesin receptor subtype-3", "xref": ["CHEMBL.TARGET:CHEMBL4080"], "id": "UniProtKB:P32247", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gastrin-releasing peptide receptor", "xref": ["CHEMBL.TARGET:CHEMBL4959"], "id": "UniProtKB:P30550", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524011", "category": ["biolink:ProteinFamily"], "name": "P2Y receptor"}
{"name": "P2Y purinoceptor 14", "xref": ["CHEMBL.TARGET:CHEMBL4518"], "id": "UniProtKB:Q15391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "P2Y purinoceptor 11", "xref": ["CHEMBL.TARGET:CHEMBL4867"], "id": "UniProtKB:Q96G91", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "P2Y purinoceptor 13", "xref": ["CHEMBL.TARGET:CHEMBL3321651"], "id": "UniProtKB:Q9BPV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "P2X purinoceptor 1", "xref": ["CHEMBL.TARGET:CHEMBL2094"], "id": "UniProtKB:P51575", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524012", "category": ["biolink:ProteinFamily"], "name": "P2X receptor"}
{"name": "P2X purinoceptor 4", "xref": ["CHEMBL.TARGET:CHEMBL2104"], "id": "UniProtKB:Q99571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "P2X purinoceptor 6", "xref": ["CHEMBL.TARGET:CHEMBL2670"], "id": "UniProtKB:O15547", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "P2X purinoceptor 5", "xref": ["CHEMBL.TARGET:CHEMBL4942"], "id": "UniProtKB:Q93086", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "P2X purinoceptor 6", "xref": ["CHEMBL.TARGET:CHEMBL2122"], "id": "UniProtKB:P51579", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4524013", "category": ["biolink:ProteinFamily"], "name": "P2X receptor"}
{"name": "P2X purinoceptor 5", "xref": ["CHEMBL.TARGET:CHEMBL2495"], "id": "UniProtKB:P51578", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "P2X purinoceptor 7", "xref": ["CHEMBL.TARGET:CHEMBL2496"], "id": "UniProtKB:Q64663", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "P2X purinoceptor 1", "xref": ["CHEMBL.TARGET:CHEMBL2530"], "id": "UniProtKB:P47824", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "P2X purinoceptor 4", "xref": ["CHEMBL.TARGET:CHEMBL2818"], "id": "UniProtKB:P51577", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4524014", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase PDE1"}
{"name": "Phosphodiesterase", "id": "UniProtKB:A0A3Q1MCV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL4524122", "category": ["biolink:ProteinFamily"], "name": "Serotonin 1 (5-HT1) receptor"}
{"name": "Gastrin-releasing peptide receptor", "xref": ["CHEMBL.TARGET:CHEMBL4280"], "id": "UniProtKB:P52500", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4524123", "category": ["biolink:ProteinFamily"], "name": "Bombesin receptor"}
{"name": "Neuromedin-B receptor", "xref": ["CHEMBL.TARGET:CHEMBL4440"], "id": "UniProtKB:P24053", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Bombesin receptor subtype-3", "xref": ["CHEMBL.TARGET:CHEMBL1075111"], "id": "UniProtKB:Q8K418", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "P2Y purinoceptor 4", "xref": ["CHEMBL.TARGET:CHEMBL2124"], "id": "UniProtKB:O35811", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4524124", "category": ["biolink:ProteinFamily"], "name": "Purinergic P2Y"}
{"name": "P2Y purinoceptor 12", "xref": ["CHEMBL.TARGET:CHEMBL2188"], "id": "UniProtKB:Q9EPX4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "P2Y purinoceptor 1", "xref": ["CHEMBL.TARGET:CHEMBL2497"], "id": "UniProtKB:P49651", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "P2Y purinoceptor 6", "xref": ["CHEMBL.TARGET:CHEMBL3543"], "id": "UniProtKB:Q63371", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "P2Y purinoceptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4419"], "id": "UniProtKB:P41232", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "P2Y purinoceptor 14", "xref": ["CHEMBL.TARGET:CHEMBL4295660"], "id": "UniProtKB:O35881", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "P2Y purinoceptor 13", "id": "UniProtKB:Q6GUG4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Thyroid hormone receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL3917"], "id": "UniProtKB:P18113", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4524126", "category": ["biolink:ProteinFamily"], "name": "Thyroid Hormone Receptor"}
{"name": "Thyroid hormone receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL4823"], "id": "UniProtKB:P63059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Solute carrier family 29 member 1 (Augustine blood group)", "id": "UniProtKB:H0V4R7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.TARGET:CHEMBL4524127", "category": ["biolink:ProteinFamily"], "name": "Adenosine Transporter"}
{"name": "Equilibrative nucleoside transporter 2", "id": "UniProtKB:H0UUG1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"name": "Solute carrier family 29 member 3", "id": "UniProtKB:H0V3Z5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"name": "Vasoactive intestinal polypeptide receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4532"], "id": "UniProtKB:P41587", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524128", "category": ["biolink:ProteinFamily"], "name": "Vasoactive intestinal peptide receptor"}
{"name": "Vasoactive intestinal polypeptide receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5144"], "id": "UniProtKB:P32241", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pituitary adenylate cyclase-activating polypeptide type I receptor", "xref": ["CHEMBL.TARGET:CHEMBL5399"], "id": "UniProtKB:P41586", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Nek2", "xref": ["CHEMBL.TARGET:CHEMBL3835"], "id": "UniProtKB:P51955", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524130", "category": ["biolink:ProteinFamily"], "name": "NEK kinase"}
{"name": "Serine/threonine-protein kinase Nek6", "xref": ["CHEMBL.TARGET:CHEMBL4309"], "id": "UniProtKB:Q9HC98", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Nek7", "xref": ["CHEMBL.TARGET:CHEMBL4849"], "id": "UniProtKB:Q8TDX7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Nek5", "xref": ["CHEMBL.TARGET:CHEMBL5044"], "id": "UniProtKB:Q6P3R8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Nek9", "xref": ["CHEMBL.TARGET:CHEMBL5257"], "id": "UniProtKB:Q8TD19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Nek11", "xref": ["CHEMBL.TARGET:CHEMBL5638"], "id": "UniProtKB:Q8NG66", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Nek3", "xref": ["CHEMBL.TARGET:CHEMBL5679"], "id": "UniProtKB:P51956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Nek4", "xref": ["CHEMBL.TARGET:CHEMBL5819"], "id": "UniProtKB:P51957", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Nek1", "xref": ["CHEMBL.TARGET:CHEMBL5855"], "id": "UniProtKB:Q96PY6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Nek8", "xref": ["CHEMBL.TARGET:CHEMBL2417353"], "id": "UniProtKB:Q86SG6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Nek10", "xref": ["CHEMBL.TARGET:CHEMBL3108655"], "id": "UniProtKB:Q6ZWH5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small conductance calcium-activated potassium channel protein 1", "xref": ["CHEMBL.TARGET:CHEMBL2369"], "id": "UniProtKB:Q92952", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4524132", "category": ["biolink:ProteinFamily"], "name": "Calcium-activated potassium channel"}
{"name": "Small conductance calcium-activated potassium channel protein 3", "xref": ["CHEMBL.TARGET:CHEMBL3381"], "id": "UniProtKB:Q9UGI6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small conductance calcium-activated potassium channel protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4469"], "id": "UniProtKB:Q9H2S1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Potassium channel subfamily U member 1", "id": "UniProtKB:A8MYU2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nitric oxide synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL3568"], "id": "UniProtKB:P29475", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nitric oxide synthase 3", "xref": ["CHEMBL.TARGET:CHEMBL4803"], "id": "UniProtKB:P29474", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor E2F1", "xref": ["CHEMBL.TARGET:CHEMBL4382"], "id": "UniProtKB:Q01094", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor E2F2", "id": "UniProtKB:Q14209", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor E2F3", "id": "UniProtKB:O00716", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor E2F4", "id": "UniProtKB:Q16254", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor E2F5", "id": "UniProtKB:Q15329", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor E2F6", "id": "UniProtKB:O75461", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor E2F7", "id": "UniProtKB:Q96AV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor E2F8", "id": "UniProtKB:A0AVK6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Toll-like receptor 9", "id": "UniProtKB:A1XC23", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.TARGET:CHEMBL4630752", "category": ["biolink:ProteinFamily"], "name": "Toll-like receptor 7/8"}
{"name": "Toll-like receptor 8", "id": "UniProtKB:H6BA89", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.TARGET:CHEMBL4630753", "category": ["biolink:ProteinFamily"], "name": "Cyclin-dependent kinase 12/13"}
{"name": "Diacylglycerol kinase alpha", "xref": ["CHEMBL.TARGET:CHEMBL4105787"], "id": "UniProtKB:P23743", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4630754", "category": ["biolink:ProteinFamily"], "name": "Diacylglycerol kinase alpha/zeta"}
{"name": "Diacylglycerol kinase zeta", "xref": ["CHEMBL.TARGET:CHEMBL4105942"], "id": "UniProtKB:Q13574", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Synaptic vesicle glycoprotein 2B", "id": "UniProtKB:Q7L1I2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Synaptic vesicle glycoprotein 2C", "id": "UniProtKB:Q496J9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acyl-protein thioesterase 1", "xref": ["CHEMBL.TARGET:CHEMBL1681631"], "id": "UniProtKB:O75608", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4680048", "category": ["biolink:ProteinFamily"], "name": "Acyl-protein thioesterase 1/2"}
{"name": "Acyl-protein thioesterase 2", "xref": ["CHEMBL.TARGET:CHEMBL1932891"], "id": "UniProtKB:O95372", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4680050", "category": ["biolink:ProteinFamily"], "name": "Sphingosine kinase 1/2"}
{"name": "Sphingosine kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4394"], "id": "UniProtKB:Q9NYA1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sphingosine kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL1075107"], "id": "UniProtKB:Q91V26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4680055", "category": ["biolink:ProteinFamily"], "name": "Sphingosine kinase 1/2"}
{"name": "Sphingosine kinase 2", "synonym": ["sphingosine kinase"], "xref": ["CHEMBL.TARGET:CHEMBL1075197"], "id": "UniProtKB:A6JB73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Acyl-protein thioesterase 1", "xref": ["CHEMBL.TARGET:CHEMBL3259479"], "id": "UniProtKB:P97823", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4680057", "category": ["biolink:ProteinFamily"], "name": "Acyl-protein thioesterase 1/2"}
{"name": "Acyl-protein thioesterase 2", "xref": ["CHEMBL.TARGET:CHEMBL3259480"], "id": "UniProtKB:Q9WTL7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4802035", "category": ["biolink:ProteinFamily"], "name": "JAK2/JAK3"}
{"id": "CHEMBL.TARGET:CHEMBL4888444", "category": ["biolink:ProteinFamily"], "name": "Cyclin-dependent kinase 2/4/6"}
{"id": "CHEMBL.TARGET:CHEMBL4888451", "category": ["biolink:ProteinFamily"], "name": "c-Jun N-terminal kinase"}
{"id": "CHEMBL.TARGET:CHEMBL4888455", "category": ["biolink:ProteinFamily"], "name": "CDK8/CDK19"}
{"name": "Cyclin-dependent kinase 19", "id": "UniProtKB:Q8BWD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Beta-hexosaminidase subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL1075052"], "id": "UniProtKB:Q0V8R6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.TARGET:CHEMBL4888457", "category": ["biolink:ProteinFamily"], "name": "HEXA/HEXB"}
{"name": "Beta-hexosaminidase", "id": "UniProtKB:H7BWW2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Serine/threonine-protein kinase 10", "xref": ["CHEMBL.TARGET:CHEMBL3981"], "id": "UniProtKB:O94804", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4888459", "category": ["biolink:ProteinFamily"], "name": "STE20-like serine/threonine-protein kinase/Serine/threonine-protein kinase 10"}
{"name": "STE20-like serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL4202"], "id": "UniProtKB:Q9H2G2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291951", "category": ["biolink:ProteinFamily"], "name": "Dual specificity protein kinase CLK1/CLK2/CLK4"}
{"name": "Alpha-glucosidase MAL12", "xref": ["CHEMBL.TARGET:CHEMBL2932"], "id": "UniProtKB:P53341", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.TARGET:CHEMBL5291954", "category": ["biolink:ProteinFamily"], "name": "Alpha-glucosidase"}
{"name": "Alpha-glucosidase MAL32", "id": "UniProtKB:P38158", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"name": "Alpha-glucosidase MAL62", "xref": ["CHEMBL.TARGET:CHEMBL4357"], "id": "UniProtKB:P07265", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4932"]}
{"id": "CHEMBL.TARGET:CHEMBL5291974", "category": ["biolink:ProteinFamily"], "name": "BRD2/BRD3"}
{"name": "Serine/threonine-protein kinase", "id": "UniProtKB:A0A8C0RD54", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Serine/threonine-protein kinase", "id": "UniProtKB:A0A8C0MX51", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Protein kinase C zeta", "id": "UniProtKB:A0A8P0PQR2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Protein kinase C", "id": "UniProtKB:A0A8C0PLT7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Protein kinase C iota type", "id": "UniProtKB:A0A8I3PGG6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Protein kinase C", "id": "UniProtKB:E2R2X3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Protein kinase C eta type", "id": "UniProtKB:A0A8I3PGY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Protein kinase C epsilon type", "id": "UniProtKB:A0A8I3Q258", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Protein kinase C delta type", "id": "UniProtKB:Q5PU49", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Protein kinase C", "id": "UniProtKB:A0A8I3PUQ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "PRKCA-binding protein", "id": "UniProtKB:A0A8I3PU21", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Ras-related C3 botulinum toxin substrate 2", "xref": ["CHEMBL.TARGET:CHEMBL5581"], "id": "UniProtKB:P15153", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5482993", "category": ["biolink:ProteinFamily"], "name": "RAC1/RAC2/RAC3"}
{"name": "Ras-related C3 botulinum toxin substrate 3", "xref": ["CHEMBL.TARGET:CHEMBL6087"], "id": "UniProtKB:P60763", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066064", "category": ["biolink:ProteinFamily"], "name": "Cyclin-dependent kinase 11A/B"}
{"id": "CHEMBL.TARGET:CHEMBL6066081", "category": ["biolink:ProteinFamily"], "name": "Equilibrative nucleoside transporter 1/2/3/4"}
{"name": "Equilibrative nucleoside transporter 4", "xref": ["CHEMBL.TARGET:CHEMBL3509593"], "id": "UniProtKB:Q7RTT9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Equilibrative nucleoside transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL3509606"], "id": "UniProtKB:Q14542", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Equilibrative nucleoside transporter 3", "id": "UniProtKB:Q9BZD2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosinase", "synonym": ["Polyphenol oxidase 2"], "xref": ["CHEMBL.TARGET:CHEMBL3318"], "id": "UniProtKB:O42713", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5341"]}
{"id": "CHEMBL.TARGET:CHEMBL6066154", "category": ["biolink:ProteinFamily"], "name": "Mushroom tyrosinase"}
{"name": "Polyphenol oxidase 1", "xref": ["CHEMBL.TARGET:CHEMBL3988582"], "id": "UniProtKB:Q00024", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5341"]}
{"name": "Polyphenol oxidase 3", "id": "UniProtKB:C7FF04", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5341"]}
{"name": "Polyphenol oxidase 4", "id": "UniProtKB:C7FF05", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5341"]}
{"id": "CHEMBL.TARGET:CHEMBL6066546", "category": ["biolink:ProteinFamily"], "name": "Cytochrome P450 1A2/2C18/2C19"}
{"id": "CHEMBL.TARGET:CHEMBL6066547", "category": ["biolink:ProteinFamily"], "name": "Dual specificity protein kinase CLK1/CLK2"}
{"id": "CHEMBL.TARGET:CHEMBL6066552", "category": ["biolink:ProteinFamily"], "name": "Mitogen-activated protein kinase 14/Mitogen-activated protein kinase 1"}
{"id": "CHEMBL.TARGET:CHEMBL6066553", "category": ["biolink:ProteinFamily"], "name": "Mitogen-activated protein kinase 14/MAP kinase-activated protein kinase 5"}
{"id": "CHEMBL.TARGET:CHEMBL6066558", "category": ["biolink:ProteinFamily"], "name": "Small ubiquitin-related modifier 1/2"}
{"id": "CHEMBL.TARGET:CHEMBL6066563", "category": ["biolink:ProteinFamily"], "name": "Tyrosine-protein kinase BTK/Tyrosine-protein kinase Fyn"}
{"id": "CHEMBL.TARGET:CHEMBL6066564", "category": ["biolink:ProteinFamily"], "name": "Tyrosine-protein kinase BTK/Tyrosine-protein kinase Lck"}
{"id": "CHEMBL.TARGET:CHEMBL6066565", "category": ["biolink:ProteinFamily"], "name": "Tyrosine-protein kinase BTK/Tyrosine-protein kinase Lyn"}
{"id": "CHEMBL.TARGET:CHEMBL6066566", "category": ["biolink:ProteinFamily"], "name": "Tyrosine-protein kinase Mer/Tyrosine-protein kinase receptor UFO"}
{"name": "E3 ubiquitin-protein ligase XIAP", "xref": ["CHEMBL.TARGET:CHEMBL4198"], "id": "UniProtKB:P98170", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066572", "category": ["biolink:ProteinFamily"], "name": "Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP"}
{"id": "CHEMBL.TARGET:CHEMBL6066573", "category": ["biolink:ProteinFamily"], "name": "Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP"}
{"id": "CHEMBL.TARGET:CHEMBL6066574", "category": ["biolink:ProteinFamily"], "name": "Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP"}
{"id": "CHEMBL.TARGET:CHEMBL6066575", "category": ["biolink:ProteinFamily"], "name": "Programmed cell death 1 ligand 1/2"}
{"name": "Histone-lysine N-methyltransferase KMT5C", "xref": ["CHEMBL.TARGET:CHEMBL2321644"], "id": "UniProtKB:Q86Y97", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066855", "category": ["biolink:ProteinFamily"], "name": "Histone-lysine N-methyltransferase Suv4-20"}
{"name": "Histone-lysine N-methyltransferase KMT5B", "xref": ["CHEMBL.TARGET:CHEMBL2321645"], "id": "UniProtKB:Q4FZB7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066857", "category": ["biolink:ProteinFamily"], "name": "ALK1/2"}
{"name": "Histone-lysine N-methyltransferase EZH2", "xref": ["CHEMBL.TARGET:CHEMBL5724689"], "id": "UniProtKB:Q61188", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL6066858", "category": ["biolink:ProteinFamily"], "name": "EZH1/2"}
{"name": "Histone-lysine N-methyltransferase EZH1", "id": "UniProtKB:P70351", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Alpha-amylase 1A", "xref": ["CHEMBL.TARGET:CHEMBL2478"], "id": "UniProtKB:P0DUB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066863", "category": ["biolink:ProteinFamily"], "name": "Alpha amylase"}
{"name": "Small ribosomal subunit protein uS2", "id": "UniProtKB:P0A7V0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL4", "id": "UniProtKB:P60723", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein bS1", "id": "UniProtKB:P0AG67", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS10", "id": "UniProtKB:P0A7R5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS11", "id": "UniProtKB:P0A7R9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS12", "id": "UniProtKB:P0A7S3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS13", "id": "UniProtKB:P0A7S9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS14", "id": "UniProtKB:P0AG59", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS15", "id": "UniProtKB:P0ADZ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein bS16", "id": "UniProtKB:P0A7T3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS17", "id": "UniProtKB:P0AG63", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein bS18", "xref": ["CHEMBL.TARGET:CHEMBL2363090"], "id": "UniProtKB:P0A7T7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS19", "id": "UniProtKB:P0A7U3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein bS20", "id": "UniProtKB:P0A7U7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein bS21", "id": "UniProtKB:P68679", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS3", "id": "UniProtKB:P0A7V3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS4", "id": "UniProtKB:P0A7V8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS5", "id": "UniProtKB:P0A7W1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein bS6", "id": "UniProtKB:P02358", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS7", "id": "UniProtKB:P02359", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS8", "id": "UniProtKB:P0A7W7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein uS9", "id": "UniProtKB:P0A7X3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL10", "id": "UniProtKB:P0A7J3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL11", "id": "UniProtKB:P0A7J7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL13", "id": "UniProtKB:P0AA10", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL14", "id": "UniProtKB:P0ADY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL15", "id": "UniProtKB:P02413", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL16", "id": "UniProtKB:P0ADY7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL17", "id": "UniProtKB:P0AG44", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL18", "id": "UniProtKB:P0C018", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL19", "id": "UniProtKB:P0A7K6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL1", "id": "UniProtKB:P0A7L0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL20", "id": "UniProtKB:P0A7L3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL21", "id": "UniProtKB:P0AG48", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL22", "id": "UniProtKB:P61175", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL23", "id": "UniProtKB:P0ADZ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL24", "id": "UniProtKB:P60624", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL25", "id": "UniProtKB:P68919", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL27", "id": "UniProtKB:P0A7L8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL28", "xref": ["CHEMBL.TARGET:CHEMBL2363119"], "id": "UniProtKB:P0A7M2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL29", "id": "UniProtKB:P0A7M6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL2", "xref": ["CHEMBL.TARGET:CHEMBL2363121"], "id": "UniProtKB:P60422", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL30", "id": "UniProtKB:P0AG51", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL31B", "id": "UniProtKB:P0A7N1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL31", "id": "UniProtKB:P0A7M9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL32", "id": "UniProtKB:P0A7N4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL33", "id": "UniProtKB:P0A7N9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL34", "id": "UniProtKB:P0A7P5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL35", "id": "UniProtKB:P0A7Q1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL36B", "id": "UniProtKB:Q2EEQ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL36A", "id": "UniProtKB:P0A7Q6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL3", "id": "UniProtKB:P60438", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL5", "id": "UniProtKB:P62399", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein uL6", "id": "UniProtKB:P0AG55", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Large ribosomal subunit protein bL12", "id": "UniProtKB:P0A7K2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Small ribosomal subunit protein bS1", "id": "UniProtKB:Q8CWR9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS10", "id": "UniProtKB:P66340", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS11", "id": "UniProtKB:P66360", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS12", "id": "UniProtKB:P0A4A8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS13", "id": "UniProtKB:P66393", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS14", "id": "UniProtKB:P66420", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS15", "id": "UniProtKB:Q8CWQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein bS16", "id": "UniProtKB:P66445", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS17", "id": "UniProtKB:P0A4B4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein bS18", "id": "UniProtKB:P66473", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS19", "id": "UniProtKB:P0A4B6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS2", "id": "UniProtKB:Q8CWM8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein bS20", "id": "UniProtKB:Q8CWS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein bS21", "id": "UniProtKB:P66525", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS3", "id": "UniProtKB:P0A4C4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS4", "id": "UniProtKB:P66566", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS5", "id": "UniProtKB:P66582", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein bS6", "id": "UniProtKB:P66603", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS7", "id": "UniProtKB:Q8CWU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS8", "id": "UniProtKB:P66633", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Small ribosomal subunit protein uS9", "id": "UniProtKB:Q8CWU4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL1", "id": "UniProtKB:P66096", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL10", "id": "UniProtKB:P66051", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL11", "id": "UniProtKB:Q8CWS9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL13", "id": "UniProtKB:Q8CWU5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL14", "id": "UniProtKB:P0A474", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL15", "id": "UniProtKB:Q8CWV0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL16", "id": "UniProtKB:P0A476", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL17", "id": "UniProtKB:Q8CWU8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL18", "id": "UniProtKB:Q8CWV2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL19", "id": "UniProtKB:Q8CWQ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL2", "id": "UniProtKB:Q8CWV5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL20", "id": "UniProtKB:P66113", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL21", "id": "UniProtKB:Q8CWR5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL22", "id": "UniProtKB:P61183", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL23", "id": "UniProtKB:Q8CWV6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL24", "id": "UniProtKB:P60630", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL27", "id": "UniProtKB:P66136", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL28", "id": "UniProtKB:P66156", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL29", "id": "UniProtKB:P0A484", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL3", "id": "UniProtKB:Q8CWV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL30", "id": "UniProtKB:Q8CWV1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL31B", "id": "UniProtKB:P66201", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL32", "id": "UniProtKB:Q8CWN3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL33A", "id": "UniProtKB:Q8CWR8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL33B", "id": "UniProtKB:Q8CWN7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL33C", "id": "UniProtKB:P61361", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL34", "id": "UniProtKB:P66257", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL35", "id": "UniProtKB:P66279", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL36", "id": "UniProtKB:P0A496", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL4", "id": "UniProtKB:Q8CWV7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL5", "id": "UniProtKB:Q8CWV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL6", "id": "UniProtKB:Q8CWV3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL12", "id": "UniProtKB:P0A472", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein bL9", "id": "UniProtKB:P66321", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"name": "Large ribosomal subunit protein uL13", "id": "UniProtKB:P9WHE1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein bS1", "id": "UniProtKB:P9WH43", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS10", "id": "UniProtKB:P9WH67", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS11", "id": "UniProtKB:P9WH65", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS12", "id": "UniProtKB:P9WH63", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS13", "id": "UniProtKB:P9WH61", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS14A", "id": "UniProtKB:P9WH59", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS14B", "id": "UniProtKB:P9WH57", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS15", "id": "UniProtKB:P9WH55", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein bS16", "id": "UniProtKB:P9WH53", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS17", "id": "UniProtKB:P9WH51", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein bS18A", "id": "UniProtKB:P9WH49", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein bS18B", "id": "UniProtKB:P9WH47", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS19", "id": "UniProtKB:P9WH45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS2", "id": "UniProtKB:P9WH39", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein bS20", "id": "UniProtKB:P9WH41", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS3", "id": "UniProtKB:P9WH37", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS4", "id": "UniProtKB:P9WH35", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS5", "id": "UniProtKB:P9WH33", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein bS6", "id": "UniProtKB:P9WH31", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS7", "id": "UniProtKB:P9WH29", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS8", "id": "UniProtKB:P9WH27", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS9", "id": "UniProtKB:P9WH25", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL1", "id": "UniProtKB:P9WHC7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL10", "id": "UniProtKB:P9WHE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL11", "id": "UniProtKB:P9WHE5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL14", "id": "UniProtKB:P9WHD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL15", "id": "UniProtKB:P9WHD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL16", "id": "UniProtKB:P9WHD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL17", "id": "UniProtKB:P9WHD3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL18", "id": "UniProtKB:P9WHD1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL19", "id": "UniProtKB:P9WHC9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL2", "id": "UniProtKB:P9WHA5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL20", "id": "UniProtKB:P9WHC5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL21", "id": "UniProtKB:P9WHC3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL22", "id": "UniProtKB:P9WHC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL23", "id": "UniProtKB:P9WHB9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL24", "id": "UniProtKB:P9WHB7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL25", "id": "UniProtKB:P9WHB5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL27", "id": "UniProtKB:P9WHB3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL28A", "id": "UniProtKB:P9WHB1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL28B", "id": "UniProtKB:P9WHA9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL29", "id": "UniProtKB:P9WHA7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL3", "id": "UniProtKB:P9WH87", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL30", "id": "UniProtKB:P9WHA3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL31", "id": "UniProtKB:P9WHA1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL32", "id": "UniProtKB:P9WH99", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL33A", "id": "UniProtKB:P9WH97", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL33B", "id": "UniProtKB:P9WH95", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL34", "id": "UniProtKB:P9WH93", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL35", "id": "UniProtKB:P9WH91", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL36", "id": "UniProtKB:P9WH89", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL4", "id": "UniProtKB:P9WH85", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL5", "id": "UniProtKB:P9WH83", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein uL6", "id": "UniProtKB:P9WH81", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL12", "id": "UniProtKB:P9WHE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Large ribosomal subunit protein bL9", "id": "UniProtKB:P9WH79", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Small ribosomal subunit protein uS10", "id": "UniProtKB:Q9HWD4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS11", "id": "UniProtKB:Q9HWF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS12", "id": "UniProtKB:Q9HWD0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS13", "id": "UniProtKB:Q9HWF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS14", "id": "UniProtKB:Q9HWE8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS15", "id": "UniProtKB:Q9HV58", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein bS16", "id": "UniProtKB:Q9HXP9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS17", "id": "UniProtKB:Q9HWE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein bS18", "id": "UniProtKB:Q9HUN0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS19", "id": "UniProtKB:Q9HWD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein bS1", "id": "UniProtKB:Q9HZ71", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein bS20", "id": "UniProtKB:Q9HVM1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein bS21", "id": "UniProtKB:Q9I5V8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS2", "id": "UniProtKB:O82850", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS3", "id": "UniProtKB:Q9HWE1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS4", "id": "UniProtKB:O52759", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS5", "id": "UniProtKB:Q9HWF2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein bS6", "id": "UniProtKB:Q9HUM9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS7", "id": "UniProtKB:Q9HWD1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS8", "id": "UniProtKB:Q9HWE9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS9", "id": "UniProtKB:Q9HVY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL10", "id": "UniProtKB:Q9HWC7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL11", "id": "UniProtKB:Q9HWC5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL13", "id": "UniProtKB:Q9HVY2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL14", "id": "UniProtKB:Q9HWE5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL15", "id": "UniProtKB:Q9HWF4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL16", "id": "UniProtKB:Q9HWE2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL17", "id": "UniProtKB:O52761", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL18", "id": "UniProtKB:Q9HWF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL19", "id": "UniProtKB:Q9HXQ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL1", "id": "UniProtKB:Q9HWC6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL20", "id": "UniProtKB:Q9I0A2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL21", "id": "UniProtKB:Q9HVL6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL22", "id": "UniProtKB:Q9HWE0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL23", "id": "UniProtKB:Q9HWD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL24", "id": "UniProtKB:Q9HWE6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL25", "id": "UniProtKB:Q9HVC4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL27", "id": "UniProtKB:Q9HVL7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL28", "id": "UniProtKB:Q9HTN8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL29", "id": "UniProtKB:Q9HWE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL2", "id": "UniProtKB:Q9HWD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL30", "id": "UniProtKB:Q9HWF3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL31B", "id": "UniProtKB:Q9HY25", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL31", "id": "UniProtKB:Q9HUD0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL32", "id": "UniProtKB:Q9HZN4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL33", "id": "UniProtKB:Q9HTN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL34", "id": "UniProtKB:P29436", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL35", "id": "UniProtKB:Q9I0A1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL36B", "id": "UniProtKB:Q9HY26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL36A", "id": "UniProtKB:Q9HWF6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL3", "id": "UniProtKB:Q9HWD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL4", "id": "UniProtKB:Q9HWD6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL5", "id": "UniProtKB:Q9HWE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein uL6", "id": "UniProtKB:Q9HWF0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL12", "id": "UniProtKB:Q9HWC8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Large ribosomal subunit protein bL9", "id": "UniProtKB:Q9HUN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Small ribosomal subunit protein uS11", "id": "UniProtKB:Q2FW31", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS12", "id": "UniProtKB:P0A0H0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS13", "id": "UniProtKB:Q2FW30", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS14B", "id": "UniProtKB:Q2FW19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS14A", "id": "UniProtKB:Q2FYU5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS15", "id": "UniProtKB:Q2G2Q1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein bS16", "id": "UniProtKB:Q2FZ45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS17", "id": "UniProtKB:Q2FW15", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein bS18", "id": "UniProtKB:Q2G111", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS19", "id": "UniProtKB:Q2FW10", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein bS20", "id": "UniProtKB:Q2FXY6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein bS21", "id": "UniProtKB:Q2FXZ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS2", "id": "UniProtKB:Q2FZ25", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS3", "id": "UniProtKB:Q2FW12", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS4", "id": "UniProtKB:Q2FXK6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS5", "id": "UniProtKB:Q2FW23", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein bS6", "id": "UniProtKB:Q2G113", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS7", "id": "UniProtKB:P48940", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS8", "id": "UniProtKB:Q2FW20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS9", "id": "UniProtKB:Q2FW39", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein bS1", "id": "UniProtKB:Q2FYF9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL10", "id": "UniProtKB:Q2G0N9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL11", "id": "UniProtKB:P0A0F4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL13", "id": "UniProtKB:Q2FW38", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL14", "id": "UniProtKB:Q2FW16", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL15", "id": "UniProtKB:P0A0F8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL16", "id": "UniProtKB:Q2FW13", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL17", "id": "UniProtKB:Q2FW33", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL18", "id": "UniProtKB:Q2FW22", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL19", "id": "UniProtKB:Q2FZ42", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL1", "id": "UniProtKB:Q2G0P0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL20", "id": "UniProtKB:Q2FXQ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL21", "id": "UniProtKB:Q2FXS8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL22", "id": "UniProtKB:Q2FW11", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL23", "id": "UniProtKB:Q2FW08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL24", "id": "UniProtKB:Q2FW17", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL27", "id": "UniProtKB:Q2FXT0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL28", "id": "UniProtKB:Q2FZ60", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL29", "id": "UniProtKB:Q2FW14", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL2", "id": "UniProtKB:P60430", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL30", "id": "UniProtKB:P0A0G2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL31B", "id": "UniProtKB:Q2FWD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL32", "id": "UniProtKB:Q2FZF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL33A", "id": "UniProtKB:Q2FYU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL33B", "id": "UniProtKB:Q2FY22", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL34", "id": "UniProtKB:Q2FUQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL35", "id": "UniProtKB:Q2FXQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL36", "id": "UniProtKB:Q2FW29", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL3", "id": "UniProtKB:Q2FW06", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL4", "id": "UniProtKB:Q2FW07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL5", "id": "UniProtKB:Q2FW18", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein uL6", "id": "UniProtKB:Q2FW21", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL12", "id": "UniProtKB:P48860", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Large ribosomal subunit protein bL9", "id": "UniProtKB:Q2G2T3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"name": "Small ribosomal subunit protein uS10", "id": "UniProtKB:P66341", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS11", "id": "UniProtKB:Q9A1V0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS12", "id": "UniProtKB:P66376", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS13", "id": "UniProtKB:P66394", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS14B", "id": "UniProtKB:P66421", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS14A", "id": "UniProtKB:P66424", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS15", "id": "UniProtKB:Q99XZ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein bS16", "id": "UniProtKB:P66446", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS17", "id": "UniProtKB:Q9A1W5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein bS18", "id": "UniProtKB:P66475", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS19", "id": "UniProtKB:P66496", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein bS20", "id": "UniProtKB:P66509", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein bS21", "id": "UniProtKB:P66526", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS2", "id": "UniProtKB:P68901", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS3", "id": "UniProtKB:P66555", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS4", "id": "UniProtKB:P66567", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS5", "id": "UniProtKB:P66583", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein bS6", "id": "UniProtKB:P66599", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS7", "id": "UniProtKB:P66619", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS8", "id": "UniProtKB:P66634", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS9", "id": "UniProtKB:P66648", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL10", "id": "UniProtKB:P68900", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL11", "id": "UniProtKB:P66058", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL14", "id": "UniProtKB:Q9A1W4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL15", "id": "UniProtKB:Q9A1V5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL16", "id": "UniProtKB:Q9A1W7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL18", "id": "UniProtKB:Q9A1V8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL19", "id": "UniProtKB:P66084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL1", "id": "UniProtKB:P66097", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL20", "id": "UniProtKB:P66114", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL21", "id": "UniProtKB:Q9A0D6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL22", "id": "UniProtKB:P0C0D4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL23", "id": "UniProtKB:Q9A1X2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL24", "id": "UniProtKB:Q9A1W3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL27", "id": "UniProtKB:P66137", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL28", "id": "UniProtKB:P66157", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL29", "id": "UniProtKB:P66176", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL2", "id": "UniProtKB:P60434", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL30", "id": "UniProtKB:Q9A1V6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL31B", "id": "UniProtKB:P66202", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL32", "id": "UniProtKB:Q99XK8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL33A", "id": "UniProtKB:Q490D8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL33B", "id": "UniProtKB:Q48WA5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL33C", "id": "UniProtKB:P66235", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL34", "id": "UniProtKB:P66258", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL35", "id": "UniProtKB:P66280", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL36", "id": "UniProtKB:P66303", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL3", "id": "UniProtKB:Q9A1X4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL4", "id": "UniProtKB:P0C0D6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL5", "id": "UniProtKB:Q9A1W2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein uL6", "id": "UniProtKB:Q9A1V9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL12", "id": "UniProtKB:P66063", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Large ribosomal subunit protein bL9", "id": "UniProtKB:P66322", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:301447"]}
{"name": "Small ribosomal subunit protein uS2", "xref": ["CHEMBL.TARGET:CHEMBL6119"], "id": "UniProtKB:P08865", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS27", "xref": ["CHEMBL.TARGET:CHEMBL1932893"], "id": "UniProtKB:P42677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS6", "xref": ["CHEMBL.TARGET:CHEMBL3351215"], "id": "UniProtKB:P62753", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS5", "xref": ["CHEMBL.TARGET:CHEMBL6066954"], "id": "UniProtKB:P15880", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS3", "xref": ["CHEMBL.TARGET:CHEMBL6066939"], "id": "UniProtKB:P23396", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS1", "xref": ["CHEMBL.TARGET:CHEMBL6067564"], "id": "UniProtKB:P61247", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS4, X isoform", "xref": ["CHEMBL.TARGET:CHEMBL6066851"], "id": "UniProtKB:P62701", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS4, Y isoform 1", "id": "UniProtKB:P22090", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS7", "xref": ["CHEMBL.TARGET:CHEMBL6066892"], "id": "UniProtKB:P46782", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS7", "xref": ["CHEMBL.TARGET:CHEMBL6067572"], "id": "UniProtKB:P62081", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS8", "xref": ["CHEMBL.TARGET:CHEMBL6067571"], "id": "UniProtKB:P62241", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS4", "xref": ["CHEMBL.TARGET:CHEMBL6066893"], "id": "UniProtKB:P46781", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS10", "xref": ["CHEMBL.TARGET:CHEMBL6066891"], "id": "UniProtKB:P46783", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS17", "xref": ["CHEMBL.TARGET:CHEMBL6067557"], "id": "UniProtKB:P62280", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS12", "xref": ["CHEMBL.TARGET:CHEMBL6066936"], "id": "UniProtKB:P25398", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS15", "xref": ["CHEMBL.TARGET:CHEMBL6066850"], "id": "UniProtKB:P62277", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS11", "xref": ["CHEMBL.TARGET:CHEMBL6067568"], "id": "UniProtKB:P62263", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS19", "xref": ["CHEMBL.TARGET:CHEMBL6067561"], "id": "UniProtKB:P62841", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS8", "xref": ["CHEMBL.TARGET:CHEMBL6067570"], "id": "UniProtKB:P62244", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS9", "xref": ["CHEMBL.TARGET:CHEMBL6067569"], "id": "UniProtKB:P62249", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS17", "xref": ["CHEMBL.TARGET:CHEMBL6066972"], "id": "UniProtKB:P08708", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS13", "xref": ["CHEMBL.TARGET:CHEMBL6067556"], "id": "UniProtKB:P62269", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS19", "xref": ["CHEMBL.TARGET:CHEMBL6066908"], "id": "UniProtKB:P39019", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS10", "xref": ["CHEMBL.TARGET:CHEMBL6067534"], "id": "UniProtKB:P60866", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS21", "xref": ["CHEMBL.TARGET:CHEMBL6067552"], "id": "UniProtKB:P63220", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS12", "xref": ["CHEMBL.TARGET:CHEMBL6067555"], "id": "UniProtKB:P62266", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS24", "xref": ["CHEMBL.TARGET:CHEMBL6067563"], "id": "UniProtKB:P62847", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS25", "xref": ["CHEMBL.TARGET:CHEMBL6067565"], "id": "UniProtKB:P62851", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS26", "id": "UniProtKB:P62854", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-ribosomal protein eS31 fusion protein", "xref": ["CHEMBL.TARGET:CHEMBL4523597"], "id": "UniProtKB:P62979", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS28", "xref": ["CHEMBL.TARGET:CHEMBL6067567"], "id": "UniProtKB:P62857", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS14", "xref": ["CHEMBL.TARGET:CHEMBL6066849"], "id": "UniProtKB:P62273", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-like FUBI-ribosomal protein eS30 fusion protein", "xref": ["CHEMBL.TARGET:CHEMBL6067544"], "id": "UniProtKB:P62861", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL3", "xref": ["CHEMBL.TARGET:CHEMBL6066907"], "id": "UniProtKB:P39023", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL4", "xref": ["CHEMBL.TARGET:CHEMBL6066910"], "id": "UniProtKB:P36578", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL18", "xref": ["CHEMBL.TARGET:CHEMBL6066896"], "id": "UniProtKB:P46777", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL6", "xref": ["CHEMBL.TARGET:CHEMBL6067542"], "id": "UniProtKB:Q02878", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL30", "xref": ["CHEMBL.TARGET:CHEMBL6066948"], "id": "UniProtKB:P18124", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL8", "xref": ["CHEMBL.TARGET:CHEMBL6067558"], "id": "UniProtKB:P62424", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL2", "xref": ["CHEMBL.TARGET:CHEMBL6067550"], "id": "UniProtKB:P62917", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL6", "xref": ["CHEMBL.TARGET:CHEMBL6066916"], "id": "UniProtKB:P32969", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL16", "xref": ["CHEMBL.TARGET:CHEMBL6066928"], "id": "UniProtKB:P27635", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL1", "xref": ["CHEMBL.TARGET:CHEMBL6067548"], "id": "UniProtKB:P62906", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL5", "xref": ["CHEMBL.TARGET:CHEMBL6067549"], "id": "UniProtKB:P62913", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL11", "xref": ["CHEMBL.TARGET:CHEMBL6066923"], "id": "UniProtKB:P30050", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL13", "xref": ["CHEMBL.TARGET:CHEMBL6066931"], "id": "UniProtKB:P26373", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL13", "xref": ["CHEMBL.TARGET:CHEMBL6066905"], "id": "UniProtKB:P40429", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL14", "xref": ["CHEMBL.TARGET:CHEMBL6066877"], "id": "UniProtKB:P50914", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL15", "xref": ["CHEMBL.TARGET:CHEMBL6067574"], "id": "UniProtKB:P61313", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL22", "xref": ["CHEMBL.TARGET:CHEMBL6066947"], "id": "UniProtKB:P18621", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL18", "xref": ["CHEMBL.TARGET:CHEMBL6067540"], "id": "UniProtKB:Q07020", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL20", "xref": ["CHEMBL.TARGET:CHEMBL6067541"], "id": "UniProtKB:Q02543", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL19", "xref": ["CHEMBL.TARGET:CHEMBL6067554"], "id": "UniProtKB:P84098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL21", "xref": ["CHEMBL.TARGET:CHEMBL6066895"], "id": "UniProtKB:P46778", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL22", "xref": ["CHEMBL.TARGET:CHEMBL6066913"], "id": "UniProtKB:P35268", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL14", "xref": ["CHEMBL.TARGET:CHEMBL6067560"], "id": "UniProtKB:P62829", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL23", "xref": ["CHEMBL.TARGET:CHEMBL6067559"], "id": "UniProtKB:P62750", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL24", "xref": ["CHEMBL.TARGET:CHEMBL6067553"], "id": "UniProtKB:P83731", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL24", "xref": ["CHEMBL.TARGET:CHEMBL6067573"], "id": "UniProtKB:P61254", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL27", "xref": ["CHEMBL.TARGET:CHEMBL6067575"], "id": "UniProtKB:P61353", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL15", "xref": ["CHEMBL.TARGET:CHEMBL6066897"], "id": "UniProtKB:P46776", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL28", "xref": ["CHEMBL.TARGET:CHEMBL6066894"], "id": "UniProtKB:P46779", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL29", "id": "UniProtKB:P47914", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL30", "xref": ["CHEMBL.TARGET:CHEMBL6067547"], "id": "UniProtKB:P62888", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL31", "xref": ["CHEMBL.TARGET:CHEMBL6067546"], "id": "UniProtKB:P62899", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL32", "id": "UniProtKB:P62910", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL34", "xref": ["CHEMBL.TARGET:CHEMBL6066885"], "id": "UniProtKB:P49207", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL29", "xref": ["CHEMBL.TARGET:CHEMBL6066900"], "id": "UniProtKB:P42766", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL33", "xref": ["CHEMBL.TARGET:CHEMBL6066950"], "id": "UniProtKB:P18077", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL36", "xref": ["CHEMBL.TARGET:CHEMBL6067527"], "id": "UniProtKB:Q9Y3U8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL42", "id": "UniProtKB:P83881", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL37", "id": "UniProtKB:P61927", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL43", "xref": ["CHEMBL.TARGET:CHEMBL6067566"], "id": "UniProtKB:P61513", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL38", "xref": ["CHEMBL.TARGET:CHEMBL6067551"], "id": "UniProtKB:P63173", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein eL39", "id": "UniProtKB:P62891", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein eS32", "id": "UniProtKB:P62945", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL10", "id": "UniProtKB:P05388", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein P1", "xref": ["CHEMBL.TARGET:CHEMBL6066978"], "id": "UniProtKB:P05386", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Runt-related transcription factor 1", "xref": ["CHEMBL.TARGET:CHEMBL1615385"], "id": "UniProtKB:Q01196", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2093862", "category": ["biolink:MolecularActivity"], "name": "Runt-related transcription factor 1/Core-binding factor subunit beta"}
{"name": "Core-binding factor subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL1615386"], "id": "UniProtKB:Q13951", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095161", "category": ["biolink:MolecularActivity"], "name": "Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3"}
{"name": "Nuclear receptor coactivator 3", "xref": ["CHEMBL.TARGET:CHEMBL1615382"], "id": "UniProtKB:Q9Y6Q9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095162", "category": ["biolink:MolecularActivity"], "name": "Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1"}
{"name": "Nuclear receptor coactivator 1", "xref": ["CHEMBL.TARGET:CHEMBL1615387"], "id": "UniProtKB:Q15788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2095163", "category": ["biolink:MolecularActivity"], "name": "Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2"}
{"name": "Nuclear receptor coactivator 2", "id": "UniProtKB:Q15596", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2096976", "category": ["biolink:MolecularActivity"], "name": "Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2"}
{"id": "CHEMBL.TARGET:CHEMBL2097170", "category": ["biolink:MolecularActivity"], "name": "Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1"}
{"name": "Amyloid-beta A4 precursor protein-binding family A member 1", "id": "UniProtKB:Q02410", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mediator of RNA polymerase II transcription subunit 23", "xref": ["CHEMBL.TARGET:CHEMBL4146"], "id": "UniProtKB:Q9ULK4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111426", "category": ["biolink:MolecularActivity"], "name": "ETS-related transcription factor Elf-3/Vitamin D3 receptor-interacting protein (ESX/MED23)"}
{"name": "ETS-related transcription factor Elf-3", "id": "UniProtKB:P78545", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111430", "category": ["biolink:MolecularActivity"], "name": "MIF/CD74 (Macrophage migration inhibitory factor and HLA-DR antigens-associated invariant chain)"}
{"name": "Annexin A2", "xref": ["CHEMBL.TARGET:CHEMBL1764938"], "id": "UniProtKB:P07355", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111435", "category": ["biolink:MolecularActivity"], "name": "Annexin A2/S100-A10"}
{"name": "Protein S100-A10", "xref": ["CHEMBL.TARGET:CHEMBL1764939"], "id": "UniProtKB:P60903", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2221344", "category": ["biolink:MolecularActivity"], "name": "Tumour suppressor protein p53/Mdm4"}
{"name": "Protein Mdm4", "xref": ["CHEMBL.TARGET:CHEMBL1255126"], "id": "UniProtKB:O15151", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137263", "category": ["biolink:MolecularActivity"], "name": "PA/PB1"}
{"name": "Interleukin-6 receptor subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL3124734"], "id": "UniProtKB:P40189", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137274", "category": ["biolink:MolecularActivity"], "name": "LIFR/GP130"}
{"name": "Leukemia inhibitory factor receptor", "id": "UniProtKB:P42702", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137283", "category": ["biolink:MolecularActivity"], "name": "Bcl-xL/BAK"}
{"id": "CHEMBL.TARGET:CHEMBL3301383", "category": ["biolink:MolecularActivity"], "name": "CREB-binding protein/p53"}
{"id": "CHEMBL.TARGET:CHEMBL3301389", "category": ["biolink:MolecularActivity"], "name": "Focal adhesion kinase 1/vascular endothelial growth factor receptor 3"}
{"id": "CHEMBL.TARGET:CHEMBL3301394", "category": ["biolink:MolecularActivity"], "name": "P-selectin/P-selectin glycoprotein ligand 1"}
{"id": "CHEMBL.TARGET:CHEMBL3301397", "category": ["biolink:MolecularActivity"], "name": "Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 1"}
{"name": "Rho guanine nucleotide exchange factor TIAM1", "xref": ["CHEMBL.TARGET:CHEMBL3232697"], "id": "UniProtKB:Q13009", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430886", "category": ["biolink:MolecularActivity"], "name": "Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist"}
{"name": "BH3-interacting domain death agonist", "xref": ["CHEMBL.TARGET:CHEMBL1250414"], "id": "UniProtKB:P55957", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430887", "category": ["biolink:MolecularActivity"], "name": "Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11"}
{"id": "CHEMBL.TARGET:CHEMBL3430900", "category": ["biolink:MolecularActivity"], "name": "Interferon-induced guanylate-binding protein 1/Serine/threonine-protein kinase pim-1"}
{"name": "Guanylate-binding protein 1", "id": "UniProtKB:P32455", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430909", "category": ["biolink:MolecularActivity"], "name": "Transcriptional coactivator YAP1/Transcriptional enhancer factor TEF-1"}
{"name": "Transcriptional enhancer factor TEF-1", "xref": ["CHEMBL.TARGET:CHEMBL3334416"], "id": "UniProtKB:P28347", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883285", "category": ["biolink:MolecularActivity"], "name": "Bcl-xL/BH3-interacting domain death agonist"}
{"id": "CHEMBL.TARGET:CHEMBL3883286", "category": ["biolink:MolecularActivity"], "name": "Bcl-xL/BAX"}
{"name": "Apoptosis regulator BAX", "xref": ["CHEMBL.TARGET:CHEMBL5318"], "id": "UniProtKB:Q07812", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883287", "category": ["biolink:MolecularActivity"], "name": "Bcl-xL/Bcl-2-like protein 11"}
{"id": "CHEMBL.TARGET:CHEMBL3883288", "category": ["biolink:MolecularActivity"], "name": "Bcl-xL/Bcl-2-binding component 3"}
{"name": "Bcl-2-binding component 3, isoforms 1/2", "id": "UniProtKB:Q9BXH1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-conjugating enzyme E2 variant 1", "xref": ["CHEMBL.TARGET:CHEMBL5234"], "id": "UniProtKB:Q13404", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883289", "category": ["biolink:MolecularActivity"], "name": "Ubiquitin-conjugating enzyme E2 N/Ubiquitin-conjugating enzyme E2 variant 1"}
{"name": "Ubiquitin-conjugating enzyme E2 N", "xref": ["CHEMBL.TARGET:CHEMBL6089"], "id": "UniProtKB:P61088", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883306", "category": ["biolink:MolecularActivity"], "name": "MDM2/MDMX-p53"}
{"name": "Segment polarity protein dishevelled homolog DVL-2", "xref": ["CHEMBL.TARGET:CHEMBL1255125"], "id": "UniProtKB:O14641", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883307", "category": ["biolink:MolecularActivity"], "name": "Axin-1/DVL-2"}
{"id": "CHEMBL.TARGET:CHEMBL3883308", "category": ["biolink:MolecularActivity"], "name": "Axin-1/Casein kinase I epsilon"}
{"id": "CHEMBL.TARGET:CHEMBL3883309", "category": ["biolink:MolecularActivity"], "name": "Axin-1/Glycogen synthase kinase-3 beta"}
{"id": "CHEMBL.TARGET:CHEMBL3883310", "category": ["biolink:MolecularActivity"], "name": "Axin-1/Low-density lipoprotein receptor-related protein 2"}
{"name": "Low-density lipoprotein receptor-related protein 2", "id": "UniProtKB:P98164", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dickkopf-related protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3745589"], "id": "UniProtKB:O54908", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3883312", "category": ["biolink:MolecularActivity"], "name": "Dickkopf-related protein 1/Lrp6"}
{"name": "1-acylglycerol-3-phosphate O-acyltransferase ABHD5", "id": "UniProtKB:Q8WTS1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883313", "category": ["biolink:MolecularActivity"], "name": "Perilipin-1/ABHD5"}
{"name": "Perilipin-1", "xref": ["CHEMBL.TARGET:CHEMBL1741164"], "id": "UniProtKB:O60240", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3883320", "category": ["biolink:MolecularActivity"], "name": "Histone-lysine N-methyltransferase 2A/WDR5"}
{"id": "CHEMBL.TARGET:CHEMBL3883324", "category": ["biolink:MolecularActivity"], "name": "Urokinase-type plasminogen activator/surface receptor"}
{"name": "Urokinase plasminogen activator surface receptor", "xref": ["CHEMBL.TARGET:CHEMBL4883"], "id": "UniProtKB:Q03405", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Menin", "xref": ["CHEMBL.TARGET:CHEMBL3124739"], "id": "UniProtKB:O88559", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3883327", "category": ["biolink:MolecularActivity"], "name": "Menin/Histone-lysine N-methyltransferase 2A"}
{"name": "Histone-lysine N-methyltransferase 2A", "id": "UniProtKB:P55200", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Perilipin-5", "id": "UniProtKB:Q00G26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885501", "category": ["biolink:MolecularActivity"], "name": "1-acylglycerol-3-phosphate O-acyltransferase ABHD5/Perilipin-5"}
{"id": "CHEMBL.TARGET:CHEMBL3885511", "category": ["biolink:MolecularActivity"], "name": "Adenomatous polyposis coli protein/Transcription factor 7-like 2"}
{"id": "CHEMBL.TARGET:CHEMBL3885513", "category": ["biolink:MolecularActivity"], "name": "Apoptosis regulator BAX/Bcl-2"}
{"id": "CHEMBL.TARGET:CHEMBL3885514", "category": ["biolink:MolecularActivity"], "name": "Apoptosis regulator BAX/Bcl-2-related protein A1"}
{"id": "CHEMBL.TARGET:CHEMBL3885515", "category": ["biolink:MolecularActivity"], "name": "Apoptosis regulator BAX/Induced myeloid leukemia cell differentiation protein Mcl-1"}
{"id": "CHEMBL.TARGET:CHEMBL3885516", "category": ["biolink:MolecularActivity"], "name": "Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer"}
{"name": "Aryl hydrocarbon receptor nuclear translocator", "xref": ["CHEMBL.TARGET:CHEMBL5618"], "id": "UniProtKB:P27540", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885518", "category": ["biolink:MolecularActivity"], "name": "Aryl hydrocarbon receptor nuclear translocator/Endothelial PAS domain-containing protein 1"}
{"id": "CHEMBL.TARGET:CHEMBL3885520", "category": ["biolink:MolecularActivity"], "name": "Axin-2/Catenin beta-1"}
{"name": "Axin-2", "xref": ["CHEMBL.TARGET:CHEMBL1255167"], "id": "UniProtKB:Q9Y2T1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "C-C motif chemokine 5", "xref": ["CHEMBL.TARGET:CHEMBL1275217"], "id": "UniProtKB:P13501", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885531", "category": ["biolink:MolecularActivity"], "name": "C-C motif chemokine 5/Neutrophil defensin 1 (Defensin, alpha 1)"}
{"name": "Neutrophil defensin 1", "id": "UniProtKB:P59665", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885533", "category": ["biolink:MolecularActivity"], "name": "Cadherin-1/Transcription factor 7-like 2"}
{"name": "Cadherin-1", "xref": ["CHEMBL.TARGET:CHEMBL2321609"], "id": "UniProtKB:P12830", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885535", "category": ["biolink:MolecularActivity"], "name": "Calmodulin/Proto-oncogene tyrosine-protein kinase Src"}
{"name": "Transcription factor 7", "id": "UniProtKB:P36402", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885542", "category": ["biolink:MolecularActivity"], "name": "Catenin beta-1/Transcription factor 7"}
{"id": "CHEMBL.TARGET:CHEMBL3885543", "category": ["biolink:MolecularActivity"], "name": "Cellular tumor antigen p53/Death-associated protein kinase 1"}
{"name": "Death-associated protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL2558"], "id": "UniProtKB:P53355", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885544", "category": ["biolink:MolecularActivity"], "name": "Cellular tumor antigen p53/Peptidyl-prolyl cis-trans isomerase D"}
{"name": "Peptidyl-prolyl cis-trans isomerase D", "xref": ["CHEMBL.TARGET:CHEMBL1697657"], "id": "UniProtKB:Q08752", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885545", "category": ["biolink:MolecularActivity"], "name": "Cellular tumor antigen p53/Replication protein A 70 kDa DNA-binding subunit"}
{"name": "Replication protein A 70 kDa DNA-binding subunit", "xref": ["CHEMBL.TARGET:CHEMBL1764940"], "id": "UniProtKB:P27694", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cullin-1", "xref": ["CHEMBL.TARGET:CHEMBL3758068"], "id": "UniProtKB:Q13616", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885547", "category": ["biolink:MolecularActivity"], "name": "Cullin-1/S-phase kinase-associated protein 1"}
{"name": "S-phase kinase-associated protein 1", "id": "UniProtKB:P63208", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "S-phase kinase-associated protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3632458"], "id": "UniProtKB:Q13309", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885557", "category": ["biolink:MolecularActivity"], "name": "Cyclin-dependent kinase inhibitor 1B/S-phase kinase-associated protein 2"}
{"name": "Cyclin-dependent kinase inhibitor 1B", "xref": ["CHEMBL.TARGET:CHEMBL3758070"], "id": "UniProtKB:P46527", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-dependent kinases regulatory subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL3632457"], "id": "UniProtKB:P61024", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885558", "category": ["biolink:MolecularActivity"], "name": "Cyclin-dependent kinases regulatory subunit 1/S-phase kinase-associated protein 2"}
{"id": "CHEMBL.TARGET:CHEMBL3885559", "category": ["biolink:MolecularActivity"], "name": "Cystic fibrosis transmembrane conductance regulator/Golgi-associated PDZ and coiled-coil motif-containing protein"}
{"id": "CHEMBL.TARGET:CHEMBL3885562", "category": ["biolink:MolecularActivity"], "name": "Dickkopf-related protein 1/Low-density lipoprotein receptor-related protein 6"}
{"name": "Low-density lipoprotein receptor-related protein 6", "xref": ["CHEMBL.TARGET:CHEMBL3745588"], "id": "UniProtKB:O75581", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fanconi anemia group F protein", "xref": ["CHEMBL.TARGET:CHEMBL2157856"], "id": "UniProtKB:Q9NPI8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885567", "category": ["biolink:MolecularActivity"], "name": "Fanconi anemia group F protein/Transcription factor HES-1"}
{"name": "Transcription factor HES-1", "xref": ["CHEMBL.TARGET:CHEMBL3734643"], "id": "UniProtKB:Q14469", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885579", "category": ["biolink:MolecularActivity"], "name": "Glucokinase/Glucokinase regulatory protein"}
{"name": "Glucokinase regulatory protein", "xref": ["CHEMBL.TARGET:CHEMBL1075152"], "id": "UniProtKB:Q14397", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hexokinase-4", "xref": ["CHEMBL.TARGET:CHEMBL3882"], "id": "UniProtKB:P17712", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL3885580", "category": ["biolink:MolecularActivity"], "name": "Glucokinase/Glucokinase regulatory protein"}
{"name": "Glucokinase regulatory protein", "xref": ["CHEMBL.TARGET:CHEMBL3124733"], "id": "UniProtKB:Q07071", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Guanine nucleotide-binding protein G(i) subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4741"], "id": "UniProtKB:P63096", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885584", "category": ["biolink:MolecularActivity"], "name": "Guanine nucleotide-binding protein G(i) subunit alpha-1/Regulator of G-protein signaling 12"}
{"name": "Regulator of G-protein signaling 12", "xref": ["CHEMBL.TARGET:CHEMBL1293276"], "id": "UniProtKB:O14924", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885594", "category": ["biolink:MolecularActivity"], "name": "Importin subunit beta-1/Snurportin-1"}
{"id": "CHEMBL.TARGET:CHEMBL3885600", "category": ["biolink:MolecularActivity"], "name": "Lymphocyte function-associated antigen 3/T-cell surface antigen CD2"}
{"name": "Lymphocyte function-associated antigen 3", "xref": ["CHEMBL.TARGET:CHEMBL3790"], "id": "UniProtKB:P19256", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor Jun", "xref": ["CHEMBL.TARGET:CHEMBL1075084"], "id": "UniProtKB:P18870", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"id": "CHEMBL.TARGET:CHEMBL3885607", "category": ["biolink:MolecularActivity"], "name": "Myc proto-oncogene protein/Transcription factor AP-1"}
{"name": "Myc proto-oncogene protein", "xref": ["CHEMBL.TARGET:CHEMBL1250349"], "id": "UniProtKB:P01109", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"name": "Urokinase-type plasminogen activator", "xref": ["CHEMBL.TARGET:CHEMBL1075311"], "id": "UniProtKB:P06869", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL3885619", "category": ["biolink:MolecularActivity"], "name": "Plasminogen/Urokinase plasminogen activator surface receptor/Urokinase-type plasminogen activator"}
{"name": "Plasminogen", "xref": ["CHEMBL.TARGET:CHEMBL1075299"], "id": "UniProtKB:P20918", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Urokinase plasminogen activator surface receptor", "id": "UniProtKB:P35456", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Polymerase acidic protein", "id": "UniProtKB:P15659", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:381518"]}
{"id": "CHEMBL.TARGET:CHEMBL3885620", "category": ["biolink:MolecularActivity"], "name": "Polymerase acidic protein /RNA-directed RNA polymerase catalytic subunit"}
{"name": "RNA-directed RNA polymerase catalytic subunit", "id": "UniProtKB:P03430", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:381518"]}
{"id": "CHEMBL.TARGET:CHEMBL3885630", "category": ["biolink:MolecularActivity"], "name": "Ras and Rab interactor 1/Tyrosine-protein kinase ABL1"}
{"name": "Ras and Rab interactor 1", "id": "UniProtKB:Q13671", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3885634", "category": ["biolink:MolecularActivity"], "name": "S-phase kinase-associated protein 1/2"}
{"id": "CHEMBL.TARGET:CHEMBL4106121", "category": ["biolink:MolecularActivity"], "name": "MAC1-CD40L"}
{"id": "CHEMBL.TARGET:CHEMBL4106122", "category": ["biolink:MolecularActivity"], "name": "CD40-CD40L"}
{"id": "CHEMBL.TARGET:CHEMBL4106123", "category": ["biolink:MolecularActivity"], "name": "MDM2-MDMX"}
{"id": "CHEMBL.TARGET:CHEMBL4106124", "category": ["biolink:MolecularActivity"], "name": "MLL1-ASH2L/RbBP5/WDR5/DPY30"}
{"name": "Protein dpy-30 homolog", "id": "UniProtKB:Q9C005", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "B-cell lymphoma 6 protein", "xref": ["CHEMBL.TARGET:CHEMBL4105786"], "id": "UniProtKB:P41182", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106125", "category": ["biolink:MolecularActivity"], "name": "BCoR-BCL6"}
{"name": "BCL-6 corepressor", "id": "UniProtKB:Q6W2J9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4106126", "category": ["biolink:MolecularActivity"], "name": "TLR4-MD2"}
{"id": "CHEMBL.TARGET:CHEMBL4106127", "category": ["biolink:MolecularActivity"], "name": "c-Myc/c-Max"}
{"id": "CHEMBL.TARGET:CHEMBL4106128", "category": ["biolink:MolecularActivity"], "name": "IL15-IL15 receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4106129", "category": ["biolink:MolecularActivity"], "name": "Keap1-p62"}
{"name": "Sequestosome-1", "xref": ["CHEMBL.TARGET:CHEMBL4295816"], "id": "UniProtKB:Q13501", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296077", "category": ["biolink:MolecularActivity"], "name": "Transforming growth factor beta-1 proprotein/Mothers against decapentaplegic homolog 3"}
{"name": "Transforming growth factor beta-1 proprotein", "xref": ["CHEMBL.TARGET:CHEMBL4295696"], "id": "UniProtKB:P04202", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296078", "category": ["biolink:MolecularActivity"], "name": "Transforming growth factor beta-1 proprotein/Mothers against decapentaplegic homolog 3"}
{"name": "Mothers against decapentaplegic homolog 3", "xref": ["CHEMBL.TARGET:CHEMBL4888441"], "id": "UniProtKB:Q8BUN5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Tumor necrosis factor ligand superfamily member 11", "xref": ["CHEMBL.TARGET:CHEMBL3596084"], "id": "UniProtKB:O35235", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296079", "category": ["biolink:MolecularActivity"], "name": "Tumor necrosis factor ligand superfamily member 11/11A"}
{"name": "Tumor necrosis factor receptor superfamily member 11A", "id": "UniProtKB:O35305", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296088", "category": ["biolink:MolecularActivity"], "name": "Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1"}
{"name": "Eukaryotic translation initiation factor 4E-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3351214"], "id": "UniProtKB:Q13541", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296101", "category": ["biolink:MolecularActivity"], "name": "PTPN9/STAT3"}
{"name": "Tyrosine-protein phosphatase non-receptor type 9", "xref": ["CHEMBL.TARGET:CHEMBL6117"], "id": "UniProtKB:P43378", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear factor erythroid 2-related factor 2", "xref": ["CHEMBL.TARGET:CHEMBL1075148"], "id": "UniProtKB:Q60795", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296107", "category": ["biolink:MolecularActivity"], "name": "KEAP1/NRF2"}
{"name": "Kelch-like ECH-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3562164"], "id": "UniProtKB:Q9Z2X8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4296108", "category": ["biolink:MolecularActivity"], "name": "HIF1A/p300/CREB-binding protein"}
{"id": "CHEMBL.TARGET:CHEMBL4296118", "category": ["biolink:MolecularActivity"], "name": "Androgen receptor/Baculoviral IAP repeat-containing protein 2"}
{"id": "CHEMBL.TARGET:CHEMBL4296119", "category": ["biolink:MolecularActivity"], "name": "Baculoviral IAP repeat-containing protein 2/BCR/ABL"}
{"id": "CHEMBL.TARGET:CHEMBL4296120", "category": ["biolink:MolecularActivity"], "name": "E3 ubiquitin-protein ligase XIAP/BCR/ABL"}
{"id": "CHEMBL.TARGET:CHEMBL4296121", "category": ["biolink:MolecularActivity"], "name": "Baculoviral IAP repeat-containing protein 3/Huntingtin"}
{"name": "Huntingtin", "xref": ["CHEMBL.TARGET:CHEMBL5514"], "id": "UniProtKB:P42858", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296122", "category": ["biolink:MolecularActivity"], "name": "KEAP1/Microtubule-associated protein tau"}
{"id": "CHEMBL.TARGET:CHEMBL4296123", "category": ["biolink:MolecularActivity"], "name": "KEAP1/Cullin-3/Microtubule-associated protein tau"}
{"name": "Cullin-3", "xref": ["CHEMBL.TARGET:CHEMBL6067538"], "id": "UniProtKB:Q13618", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296124", "category": ["biolink:MolecularActivity"], "name": "Cullin-3/Microtubule-associated protein tau"}
{"id": "CHEMBL.TARGET:CHEMBL4296125", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 8"}
{"id": "CHEMBL.TARGET:CHEMBL4296126", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 19"}
{"id": "CHEMBL.TARGET:CHEMBL4296127", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone deacetylase 4"}
{"id": "CHEMBL.TARGET:CHEMBL4296128", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone deacetylase 2"}
{"id": "CHEMBL.TARGET:CHEMBL4296129", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone deacetylase 6"}
{"id": "CHEMBL.TARGET:CHEMBL4296130", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone deacetylase 1"}
{"name": "NAD-dependent protein deacetylase sirtuin-2", "xref": ["CHEMBL.TARGET:CHEMBL4462"], "id": "UniProtKB:Q8IXJ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296131", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/NAD-dependent protein deacetylase sirtuin-2"}
{"id": "CHEMBL.TARGET:CHEMBL4296132", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/NAD-dependent protein deacetylase sirtuin-1"}
{"id": "CHEMBL.TARGET:CHEMBL4296133", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cullin-4A/Bromodomain-containing protein 4"}
{"id": "CHEMBL.TARGET:CHEMBL4296134", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cullin-4A/Bromodomain-containing protein 2"}
{"id": "CHEMBL.TARGET:CHEMBL4296135", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cullin-4A/Bromodomain-containing protein 3"}
{"id": "CHEMBL.TARGET:CHEMBL4296136", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Peptidyl-prolyl cis-trans isomerase FKBP1A"}
{"id": "CHEMBL.TARGET:CHEMBL4296137", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/BCR/ABL"}
{"id": "CHEMBL.TARGET:CHEMBL4296138", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Bromodomain-containing protein 4"}
{"name": "Receptor-interacting serine/threonine-protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL5014"], "id": "UniProtKB:O43353", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296139", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Receptor-interacting serine/threonine-protein kinase 2"}
{"id": "CHEMBL.TARGET:CHEMBL4296140", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 4"}
{"id": "CHEMBL.TARGET:CHEMBL4296141", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Myc proto-oncogene protein"}
{"name": "Steroid hormone receptor ERR1", "xref": ["CHEMBL.TARGET:CHEMBL3429"], "id": "UniProtKB:P11474", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296142", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Steroid hormone receptor ERR1"}
{"id": "CHEMBL.TARGET:CHEMBL4296143", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 2"}
{"id": "CHEMBL.TARGET:CHEMBL4296144", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 3"}
{"id": "CHEMBL.TARGET:CHEMBL4296145", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/DNA damage-binding protein 1/Bromodomain-containing protein 4"}
{"id": "CHEMBL.TARGET:CHEMBL4296146", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Inhibitor of nuclear factor kappa-B kinase subunit epsilon"}
{"id": "CHEMBL.TARGET:CHEMBL4296147", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Serine/threonine-protein kinase TBK1"}
{"id": "CHEMBL.TARGET:CHEMBL4296148", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Elongin-B/Elongin-C/Bromodomain-containing protein 4"}
{"id": "CHEMBL.TARGET:CHEMBL4296149", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Elongin-B/Elongin-C/Bromodomain-containing protein 2"}
{"id": "CHEMBL.TARGET:CHEMBL4296150", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Elongin-B/Elongin-C/Bromodomain-containing protein 3"}
{"id": "CHEMBL.TARGET:CHEMBL4296165", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/NPM/ALK"}
{"id": "CHEMBL.TARGET:CHEMBL4296166", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/EML4/ALK"}
{"id": "CHEMBL.TARGET:CHEMBL4296167", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Aiolos"}
{"name": "Zinc finger protein Aiolos", "xref": ["CHEMBL.TARGET:CHEMBL4739707"], "id": "UniProtKB:Q9UKT9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4296168", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/GSPT1"}
{"name": "Eukaryotic peptide chain release factor GTP-binding subunit ERF3A", "xref": ["CHEMBL.TARGET:CHEMBL4523593"], "id": "UniProtKB:P15170", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DCN1-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4105838"], "id": "UniProtKB:Q96GG9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523603", "category": ["biolink:MolecularActivity"], "name": "DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12"}
{"name": "Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN", "xref": ["CHEMBL.TARGET:CHEMBL2052032"], "id": "UniProtKB:P60484", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523606", "category": ["biolink:MolecularActivity"], "name": "Speckle-type POZ protein/PTEN"}
{"name": "Speckle-type POZ protein", "xref": ["CHEMBL.TARGET:CHEMBL4523140"], "id": "UniProtKB:O43791", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523623", "category": ["biolink:MolecularActivity"], "name": "PDE6D/KRAS"}
{"id": "CHEMBL.TARGET:CHEMBL4523624", "category": ["biolink:MolecularActivity"], "name": "Fibroblast growth factor 14/SCN8A"}
{"name": "Fibroblast growth factor 14", "xref": ["CHEMBL.TARGET:CHEMBL4739699"], "id": "UniProtKB:Q92915", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor MafK", "xref": ["CHEMBL.TARGET:CHEMBL2346484"], "id": "UniProtKB:O60675", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523627", "category": ["biolink:MolecularActivity"], "name": "BACH1/MafK"}
{"name": "Transcription regulator protein BACH1", "xref": ["CHEMBL.TARGET:CHEMBL4295651"], "id": "UniProtKB:O14867", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523653", "category": ["biolink:MolecularActivity"], "name": "Androgen receptor/PELP1"}
{"name": "Proline-, glutamic acid- and leucine-rich protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067535"], "id": "UniProtKB:Q8IZL8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523655", "category": ["biolink:MolecularActivity"], "name": "NEDD8/Cullin-1"}
{"name": "Heat shock-related 70 kDa protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2062348"], "id": "UniProtKB:P54652", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523664", "category": ["biolink:MolecularActivity"], "name": "HSPA2/STIP1"}
{"name": "Stress-induced-phosphoprotein 1", "xref": ["CHEMBL.TARGET:CHEMBL4523216"], "id": "UniProtKB:P31948", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523665", "category": ["biolink:MolecularActivity"], "name": "Transforming growth factor beta-1 proprotein/Smad3"}
{"name": "Transforming growth factor beta-1 proprotein", "id": "UniProtKB:P17246", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4523673", "category": ["biolink:MolecularActivity"], "name": "BCL-6/NCOR2"}
{"id": "CHEMBL.TARGET:CHEMBL4523674", "category": ["biolink:MolecularActivity"], "name": "DEPTOR/mTOR"}
{"name": "DEP domain-containing mTOR-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL4105866"], "id": "UniProtKB:Q8TB45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity mitogen-activated protein kinase kinase 7", "xref": ["CHEMBL.TARGET:CHEMBL3530"], "id": "UniProtKB:O14733", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523678", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/MAP2K7"}
{"id": "CHEMBL.TARGET:CHEMBL4523679", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone deacetylase 3"}
{"id": "CHEMBL.TARGET:CHEMBL4523680", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Epidermal growth factor receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4523681", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Estrogen receptor"}
{"name": "Retinoblastoma-associated protein", "xref": ["CHEMBL.TARGET:CHEMBL5288"], "id": "UniProtKB:P06400", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523682", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Retinoblastoma-associated protein"}
{"id": "CHEMBL.TARGET:CHEMBL4523683", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 1"}
{"id": "CHEMBL.TARGET:CHEMBL4523684", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Androgen receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4523685", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Apoptosis regulator Bcl-2"}
{"id": "CHEMBL.TARGET:CHEMBL4523686", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 4"}
{"id": "CHEMBL.TARGET:CHEMBL4523687", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/BRAF"}
{"id": "CHEMBL.TARGET:CHEMBL4523688", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/G1/S-specific cyclin-D1"}
{"id": "CHEMBL.TARGET:CHEMBL4523689", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 2"}
{"id": "CHEMBL.TARGET:CHEMBL4523690", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/MAP2K2"}
{"id": "CHEMBL.TARGET:CHEMBL4523691", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/STAT3"}
{"id": "CHEMBL.TARGET:CHEMBL4523692", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/B-cell lymphoma 6 protein"}
{"id": "CHEMBL.TARGET:CHEMBL4523693", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/STAT1"}
{"name": "Signal transducer and activator of transcription 6", "xref": ["CHEMBL.TARGET:CHEMBL5401"], "id": "UniProtKB:P42226", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523694", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/STAT6"}
{"id": "CHEMBL.TARGET:CHEMBL4523695", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/STAT5A"}
{"id": "CHEMBL.TARGET:CHEMBL4523696", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 7"}
{"id": "CHEMBL.TARGET:CHEMBL4523697", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/CDK9"}
{"id": "CHEMBL.TARGET:CHEMBL4523698", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/STAT5B"}
{"id": "CHEMBL.TARGET:CHEMBL4523699", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/STAT2"}
{"name": "Signal transducer and activator of transcription 2", "xref": ["CHEMBL.TARGET:CHEMBL4523239"], "id": "UniProtKB:P52630", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523700", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 6"}
{"id": "CHEMBL.TARGET:CHEMBL4523701", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent-like kinase 5"}
{"id": "CHEMBL.TARGET:CHEMBL4523702", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/E3 ubiquitin-protein ligase Mdm2"}
{"id": "CHEMBL.TARGET:CHEMBL4523703", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/MAP2K1"}
{"id": "CHEMBL.TARGET:CHEMBL4523704", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein kinase BTK"}
{"id": "CHEMBL.TARGET:CHEMBL4523705", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Bcl-2-like protein 1"}
{"id": "CHEMBL.TARGET:CHEMBL4523706", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/STAT4"}
{"name": "Signal transducer and activator of transcription 4", "xref": ["CHEMBL.TARGET:CHEMBL4523296"], "id": "UniProtKB:Q14765", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523707", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone acetyltransferase KAT2A"}
{"id": "CHEMBL.TARGET:CHEMBL4523708", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone acetyltransferase KAT2B"}
{"id": "CHEMBL.TARGET:CHEMBL4523709", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/E3 ubiquitin-protein ligase ZFP91"}
{"name": "E3 ubiquitin-protein ligase ZFP91", "xref": ["CHEMBL.TARGET:CHEMBL4739701"], "id": "UniProtKB:Q96JP5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523710", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/IRAK4"}
{"id": "CHEMBL.TARGET:CHEMBL4523711", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Serine/threonine-protein kinase TBK1"}
{"id": "CHEMBL.TARGET:CHEMBL4523712", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/MCL1"}
{"id": "CHEMBL.TARGET:CHEMBL4523713", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cullin-4A/Estrogen receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4523714", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cullin-4A/GSPT1"}
{"id": "CHEMBL.TARGET:CHEMBL4523715", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/CDK4/G1/S-specific cyclin-E1"}
{"id": "CHEMBL.TARGET:CHEMBL4523716", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/CDK6/G1/S-specific cyclin-D3"}
{"id": "CHEMBL.TARGET:CHEMBL4523718", "category": ["biolink:MolecularActivity"], "name": "E3 ubiquitin-protein ligase Mdm2/CDK6"}
{"id": "CHEMBL.TARGET:CHEMBL4523719", "category": ["biolink:MolecularActivity"], "name": "BRD4/E3 ubiquitin-protein ligase Mdm2"}
{"id": "CHEMBL.TARGET:CHEMBL4523720", "category": ["biolink:MolecularActivity"], "name": "GSPT1/E3 ubiquitin-protein ligase Mdm2"}
{"id": "CHEMBL.TARGET:CHEMBL4523721", "category": ["biolink:MolecularActivity"], "name": "Estrogen receptor/E3 ubiquitin-protein ligase XIAP"}
{"id": "CHEMBL.TARGET:CHEMBL4523722", "category": ["biolink:MolecularActivity"], "name": "BRD4/E3 ubiquitin-protein ligase XIAP"}
{"id": "CHEMBL.TARGET:CHEMBL4523723", "category": ["biolink:MolecularActivity"], "name": "E3 ubiquitin-protein ligase XIAP/IRAK4"}
{"name": "Steroid hormone receptor ERR2", "xref": ["CHEMBL.TARGET:CHEMBL3751"], "id": "UniProtKB:O95718", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523724", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Steroid hormone receptor ERR2"}
{"id": "CHEMBL.TARGET:CHEMBL4523725", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/ABL1"}
{"id": "CHEMBL.TARGET:CHEMBL4523726", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Estrogen receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4523727", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Tyrosine-protein kinase Lck"}
{"id": "CHEMBL.TARGET:CHEMBL4523728", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Tyrosine-protein kinase Yes"}
{"id": "CHEMBL.TARGET:CHEMBL4523729", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/PDGFRB"}
{"id": "CHEMBL.TARGET:CHEMBL4523730", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Androgen receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4523731", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/KIT"}
{"id": "CHEMBL.TARGET:CHEMBL4523732", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cyclin-dependent kinase 4"}
{"id": "CHEMBL.TARGET:CHEMBL4523733", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/SRC"}
{"id": "CHEMBL.TARGET:CHEMBL4523734", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/MAP2K2"}
{"id": "CHEMBL.TARGET:CHEMBL4523735", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/FLT3"}
{"id": "CHEMBL.TARGET:CHEMBL4523736", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Tyrosine-protein kinase ABL2"}
{"id": "CHEMBL.TARGET:CHEMBL4523737", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Ephrin type-B receptor 4"}
{"id": "CHEMBL.TARGET:CHEMBL4523738", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Estrogen-related receptor gamma"}
{"id": "CHEMBL.TARGET:CHEMBL4523739", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/CDK6"}
{"id": "CHEMBL.TARGET:CHEMBL4523740", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/MAP2K1"}
{"id": "CHEMBL.TARGET:CHEMBL4523741", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Focal adhesion kinase 1"}
{"id": "CHEMBL.TARGET:CHEMBL4523742", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/IRAK4"}
{"id": "CHEMBL.TARGET:CHEMBL4523743", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/ALK"}
{"id": "CHEMBL.TARGET:CHEMBL4523744", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cullin-9"}
{"name": "Cullin-9", "id": "UniProtKB:Q8IWT3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523745", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/LENG8"}
{"name": "Leukocyte receptor cluster member 8", "xref": ["CHEMBL.TARGET:CHEMBL6067462"], "id": "UniProtKB:Q96PV6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523746", "category": ["biolink:MolecularActivity"], "name": "F-box-like/WD repeat-containing protein TBL1XR1/B-cell lymphoma 6 protein"}
{"name": "F-box-like/WD repeat-containing protein TBL1XR1", "xref": ["CHEMBL.TARGET:CHEMBL6067529"], "id": "UniProtKB:Q9BZK7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523747", "category": ["biolink:MolecularActivity"], "name": "EGFR/PPP1CA"}
{"name": "Serine/threonine-protein phosphatase PP1-alpha catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL2164"], "id": "UniProtKB:P62136", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523748", "category": ["biolink:MolecularActivity"], "name": "AKT1/PPP1CA"}
{"id": "CHEMBL.TARGET:CHEMBL4523749", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Steroid hormone receptor ERR1"}
{"id": "CHEMBL.TARGET:CHEMBL4523750", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein kinase ABL1"}
{"id": "CHEMBL.TARGET:CHEMBL4523751", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/BCR-ABL1"}
{"id": "CHEMBL.TARGET:CHEMBL4523752", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Bromodomain-containing protein 2"}
{"id": "CHEMBL.TARGET:CHEMBL4523753", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Bromodomain-containing protein 3"}
{"id": "CHEMBL.TARGET:CHEMBL4523754", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cullin-2/Estrogen receptor alpha"}
{"name": "Cullin-2", "xref": ["CHEMBL.TARGET:CHEMBL6067537"], "id": "UniProtKB:Q13617", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523755", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor-MAP2K1/MAP2K2"}
{"id": "CHEMBL.TARGET:CHEMBL4523996", "category": ["biolink:MolecularActivity"], "name": "PCSK9/LDLR"}
{"name": "Low-density lipoprotein receptor", "xref": ["CHEMBL.TARGET:CHEMBL3311"], "id": "UniProtKB:P01130", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4523998", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/EGFR"}
{"id": "CHEMBL.TARGET:CHEMBL4524003", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/GSPT1/Cullin-4A/DDB1"}
{"id": "CHEMBL.TARGET:CHEMBL4630727", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Phosphodiesterase 6D"}
{"id": "CHEMBL.TARGET:CHEMBL4630728", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein kinase SRC"}
{"id": "CHEMBL.TARGET:CHEMBL4630729", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/HMG-CoA reductase"}
{"id": "CHEMBL.TARGET:CHEMBL4630730", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein kinase receptor FLT3"}
{"id": "CHEMBL.TARGET:CHEMBL4630731", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Stem cell growth factor receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4630732", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Serine/threonine-protein kinase WEE1"}
{"id": "CHEMBL.TARGET:CHEMBL4630733", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Platelet-derived growth factor receptor alpha"}
{"id": "CHEMBL.TARGET:CHEMBL4630734", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/DNA damage-binding protein 1"}
{"id": "CHEMBL.TARGET:CHEMBL4630735", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone deacetylase 6"}
{"name": "Protein cereblon", "xref": ["CHEMBL.TARGET:CHEMBL6067585"], "id": "UniProtKB:Q8C7D2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4630736", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone deacetylase 6"}
{"id": "CHEMBL.TARGET:CHEMBL4630737", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone deacetylase 5"}
{"id": "CHEMBL.TARGET:CHEMBL4630738", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone deacetylase 7"}
{"id": "CHEMBL.TARGET:CHEMBL4630739", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Ikaros"}
{"id": "CHEMBL.TARGET:CHEMBL4630740", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Tyrosine-protein kinase BTK"}
{"id": "CHEMBL.TARGET:CHEMBL4630741", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone deacetylase 3"}
{"id": "CHEMBL.TARGET:CHEMBL4630742", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Protein-tyrosine phosphatase 2C"}
{"id": "CHEMBL.TARGET:CHEMBL4630743", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone deacetylase 2"}
{"id": "CHEMBL.TARGET:CHEMBL4630744", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Aiolos"}
{"id": "CHEMBL.TARGET:CHEMBL4630745", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone deacetylase 1"}
{"id": "CHEMBL.TARGET:CHEMBL4630746", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone deacetylase 4"}
{"id": "CHEMBL.TARGET:CHEMBL4630747", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone deacetylase 6"}
{"name": "von Hippel-Lindau disease tumor suppressor", "id": "UniProtKB:P40338", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4630748", "category": ["biolink:MolecularActivity"], "name": "Baculoviral IAP repeat-containing protein 2/Cyclin-dependent kinase 4"}
{"id": "CHEMBL.TARGET:CHEMBL4630749", "category": ["biolink:MolecularActivity"], "name": "Baculoviral IAP repeat-containing protein 2/Cyclin-dependent kinase 6"}
{"id": "CHEMBL.TARGET:CHEMBL4630750", "category": ["biolink:MolecularActivity"], "name": "E3 ubiquitin-protein ligase XIAP/JAK2"}
{"id": "CHEMBL.TARGET:CHEMBL4630751", "category": ["biolink:MolecularActivity"], "name": "E3 ubiquitin-protein ligase XIAP/JAK1"}
{"name": "NACHT, LRR and PYD domains-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL3779755"], "id": "UniProtKB:Q8R4B8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4630757", "category": ["biolink:MolecularActivity"], "name": "Nlrp3/Pycard"}
{"name": "Apoptosis-associated speck-like protein containing a CARD", "xref": ["CHEMBL.TARGET:CHEMBL5169193"], "id": "UniProtKB:Q9EPB4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "R-spondin-3", "id": "UniProtKB:Q9BXY4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leucine-rich repeat-containing G-protein coupled receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL6067594"], "id": "UniProtKB:Q9BXB1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4680047", "category": ["biolink:MolecularActivity"], "name": "Baculoviral IAP repeat-containing protein 2/Hematopoietic prostaglandin D synthase"}
{"name": "Hematopoietic prostaglandin D synthase", "xref": ["CHEMBL.TARGET:CHEMBL5879"], "id": "UniProtKB:O60760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sortilin", "xref": ["CHEMBL.TARGET:CHEMBL3091"], "id": "UniProtKB:Q99523", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4680051", "category": ["biolink:MolecularActivity"], "name": "Sortilin/Progranulin"}
{"name": "Progranulin", "id": "UniProtKB:P28799", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4680052", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Focal adhesion kinase 1"}
{"id": "CHEMBL.TARGET:CHEMBL4680053", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin B1"}
{"id": "CHEMBL.TARGET:CHEMBL4680054", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Hematopoietic prostaglandin D synthase"}
{"id": "CHEMBL.TARGET:CHEMBL4680056", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/von Hippel-Lindau disease tumor suppressor"}
{"id": "CHEMBL.TARGET:CHEMBL4742252", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Agrin"}
{"name": "Agrin", "xref": ["CHEMBL.TARGET:CHEMBL4295648"], "id": "UniProtKB:O00468", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742261", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Procollagen-lysine,2-oxoglutarate 5-dioxygenase 2"}
{"name": "Procollagen-lysine,2-oxoglutarate 5-dioxygenase 2", "xref": ["CHEMBL.TARGET:CHEMBL5465273"], "id": "UniProtKB:O00469", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742262", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Kunitz-type protease inhibitor 1"}
{"name": "Kunitz-type protease inhibitor 1", "id": "UniProtKB:O43278", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742263", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein kinase JAK2"}
{"id": "CHEMBL.TARGET:CHEMBL4742264", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Endothelial differentiation-related factor 1"}
{"name": "Endothelial differentiation-related factor 1", "xref": ["CHEMBL.TARGET:CHEMBL4295670"], "id": "UniProtKB:O60869", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742265", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cold shock domain-containing protein E1"}
{"name": "Cold shock domain-containing protein E1", "xref": ["CHEMBL.TARGET:CHEMBL6067007"], "id": "UniProtKB:O75534", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742266", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-D1-binding protein 1"}
{"name": "Cyclin-D1-binding protein 1", "id": "UniProtKB:O95273", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cystatin-C", "id": "UniProtKB:P01034", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742267", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cystatin-C"}
{"id": "CHEMBL.TARGET:CHEMBL4742268", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/NTRK1"}
{"id": "CHEMBL.TARGET:CHEMBL4742270", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Laminin subunit beta-1"}
{"id": "CHEMBL.TARGET:CHEMBL4742271", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/PARP1"}
{"id": "CHEMBL.TARGET:CHEMBL4742272", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Indoleamine 2,3-dioxygenase 1"}
{"id": "CHEMBL.TARGET:CHEMBL4742273", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Desmoplakin"}
{"name": "Desmoplakin", "xref": ["CHEMBL.TARGET:CHEMBL6066953"], "id": "UniProtKB:P15924", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Methylated-DNA--protein-cysteine methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2864"], "id": "UniProtKB:P16455", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742274", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/MGMT"}
{"id": "CHEMBL.TARGET:CHEMBL4742275", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/JAK1"}
{"id": "CHEMBL.TARGET:CHEMBL4742276", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Aryl hydrocarbon receptor"}
{"name": "Ubiquitin carboxyl-terminal hydrolase 8", "xref": ["CHEMBL.TARGET:CHEMBL2157854"], "id": "UniProtKB:P40818", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742277", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Ubiquitin carboxyl-terminal hydrolase 8"}
{"id": "CHEMBL.TARGET:CHEMBL4742279", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/IRAK1"}
{"id": "CHEMBL.TARGET:CHEMBL4742280", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Serine/threonine-protein kinase PLK1"}
{"id": "CHEMBL.TARGET:CHEMBL4742281", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Dynein light chain Tctex-type 1"}
{"name": "Dynein light chain Tctex-type 1", "id": "UniProtKB:P63172", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742282", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Small EDRK-rich factor 2"}
{"name": "Small EDRK-rich factor 2", "id": "UniProtKB:P84101", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742286", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/MAP2K1/MAP2K2"}
{"name": "Epithelial discoidin domain-containing receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5319"], "id": "UniProtKB:Q08345", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742292", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Epithelial discoidin domain-containing receptor 1"}
{"id": "CHEMBL.TARGET:CHEMBL4742293", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Apoptosis-stimulating of p53 protein 2"}
{"name": "Apoptosis-stimulating of p53 protein 2", "id": "UniProtKB:Q13625", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742294", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/E3 ubiquitin-protein ligase SHPRH"}
{"name": "E3 ubiquitin-protein ligase SHPRH", "xref": ["CHEMBL.TARGET:CHEMBL6066854"], "id": "UniProtKB:Q149N8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742295", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Nectin-1"}
{"name": "Nectin-1", "id": "UniProtKB:Q15223", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742296", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Delta(24)-sterol reductase"}
{"id": "CHEMBL.TARGET:CHEMBL4742298", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Anamorsin"}
{"name": "Anamorsin", "xref": ["CHEMBL.TARGET:CHEMBL4523341"], "id": "UniProtKB:Q6FI81", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742299", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/WDFY4"}
{"name": "WD repeat- and FYVE domain-containing protein 4", "id": "UniProtKB:Q6ZS81", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742300", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Pleckstrin homology-like domain family B member 1"}
{"name": "Pleckstrin homology-like domain family B member 1", "id": "UniProtKB:Q86UU1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NAD-dependent protein deacylase sirtuin-6", "xref": ["CHEMBL.TARGET:CHEMBL2163182"], "id": "UniProtKB:Q8N6T7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742301", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/SIRT6"}
{"id": "CHEMBL.TARGET:CHEMBL4742302", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Carbohydrate sulfotransferase 14"}
{"name": "Carbohydrate sulfotransferase 14", "id": "UniProtKB:Q8NCH0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742303", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/E3 ubiquitin-protein ligase DTX3L"}
{"name": "E3 ubiquitin-protein ligase DTX3L", "id": "UniProtKB:Q8TDB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742304", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Protein FAM3C"}
{"name": "Protein FAM3C", "id": "UniProtKB:Q92520", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742314", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Protein LTV1 homolog"}
{"name": "Protein LTV1 homolog", "id": "UniProtKB:Q96GA3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742315", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/E3 SUMO-protein ligase NSE2"}
{"name": "E3 SUMO-protein ligase NSE2", "id": "UniProtKB:Q96MF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742316", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/SOSS complex subunit B1"}
{"name": "SOSS complex subunit B1", "id": "UniProtKB:Q9BQ15", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742317", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/45 kDa calcium-binding protein"}
{"name": "45 kDa calcium-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL6067531"], "id": "UniProtKB:Q9BRK5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742318", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone-lysine N-methyltransferase PRDM16"}
{"name": "Histone-lysine N-methyltransferase PRDM16", "xref": ["CHEMBL.TARGET:CHEMBL5214855"], "id": "UniProtKB:Q9HAZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742319", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/DNA polymerase delta subunit 4"}
{"id": "CHEMBL.TARGET:CHEMBL4742320", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Ubiquitin-conjugating enzyme E2 T"}
{"name": "Ubiquitin-conjugating enzyme E2 T", "xref": ["CHEMBL.TARGET:CHEMBL4105763"], "id": "UniProtKB:Q9NPD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protease serine 4", "xref": ["CHEMBL.TARGET:CHEMBL2331048"], "id": "UniProtKB:Q9NRS4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742321", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Transmembrane protease serine 4"}
{"name": "NAD-dependent protein deacetylase sirtuin-3, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4461"], "id": "UniProtKB:Q9NTG7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742322", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/SIRT3"}
{"id": "CHEMBL.TARGET:CHEMBL4742323", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/SET domain-containing protein 4"}
{"name": "SET domain-containing protein 4", "id": "UniProtKB:Q9NVD3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NAD-dependent protein deacylase sirtuin-5, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2163183"], "id": "UniProtKB:Q9NXA8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742324", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/SIRT5"}
{"id": "CHEMBL.TARGET:CHEMBL4742325", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Melanoma-associated antigen D1"}
{"name": "Melanoma-associated antigen D1", "id": "UniProtKB:Q9Y5V3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin-1 receptor-associated kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL5081"], "id": "UniProtKB:Q9Y616", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4742326", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/IRAK3"}
{"id": "CHEMBL.TARGET:CHEMBL4742327", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Adhesion G-protein coupled receptor G1"}
{"name": "Adhesion G-protein coupled receptor G1", "xref": ["CHEMBL.TARGET:CHEMBL4523929"], "id": "UniProtKB:Q9Y653", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4748214", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Agrin"}
{"id": "CHEMBL.TARGET:CHEMBL4748215", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Protein arginine N-methyltransferase 5"}
{"id": "CHEMBL.TARGET:CHEMBL4748216", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Aurora kinase A"}
{"name": "Cyclin-G-associated kinase", "xref": ["CHEMBL.TARGET:CHEMBL4355"], "id": "UniProtKB:O14976", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4748217", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cyclin-G-associated kinase"}
{"id": "CHEMBL.TARGET:CHEMBL4748218", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Polycomb protein EED"}
{"id": "CHEMBL.TARGET:CHEMBL4748219", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Progesterone receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4748221", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Insulin-like growth factor 1 receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4748222", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Proto-oncogene tyrosine-protein kinase ROS"}
{"id": "CHEMBL.TARGET:CHEMBL4748223", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/PARP1"}
{"id": "CHEMBL.TARGET:CHEMBL4748224", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Apoptosis regulator Bcl-2"}
{"id": "CHEMBL.TARGET:CHEMBL4748225", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Vitamin D3 receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4748226", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Aryl hydrocarbon receptor"}
{"name": "Transcription activator BRG1", "synonym": ["SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 4"], "xref": ["CHEMBL.TARGET:CHEMBL3085620"], "id": "UniProtKB:P51532", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4748227", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1"}
{"id": "CHEMBL.TARGET:CHEMBL4748228", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/IRAK1"}
{"id": "CHEMBL.TARGET:CHEMBL4748229", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Bcl-2-like protein 1"}
{"id": "CHEMBL.TARGET:CHEMBL4748230", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Methylosome protein 50"}
{"id": "CHEMBL.TARGET:CHEMBL4748231", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Uridine-cytidine kinase 2"}
{"id": "CHEMBL.TARGET:CHEMBL4748232", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/EML4-ALK"}
{"id": "CHEMBL.TARGET:CHEMBL4748233", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/PARP2"}
{"id": "CHEMBL.TARGET:CHEMBL4748234", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/IRAK3"}
{"id": "CHEMBL.TARGET:CHEMBL4802022", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone deacetylase 1"}
{"id": "CHEMBL.TARGET:CHEMBL4802023", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone deacetylase 3"}
{"id": "CHEMBL.TARGET:CHEMBL4802024", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 4"}
{"name": "Focal adhesion kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL1075288"], "id": "UniProtKB:P34152", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4802025", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Focal adhesion kinase 1"}
{"id": "CHEMBL.TARGET:CHEMBL4802026", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone deacetylase 2"}
{"id": "CHEMBL.TARGET:CHEMBL4802027", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 2"}
{"name": "Leucine-rich repeat serine/threonine-protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL2010622"], "id": "UniProtKB:Q5S006", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4802028", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Lrrk2"}
{"id": "CHEMBL.TARGET:CHEMBL4802029", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 6"}
{"name": "Cyclin-dependent kinase 6", "id": "UniProtKB:Q64261", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL4802030", "category": ["biolink:MolecularActivity"], "name": "Baculoviral IAP repeat-containing protein 2/Prostaglandin E synthase"}
{"id": "CHEMBL.TARGET:CHEMBL4802031", "category": ["biolink:MolecularActivity"], "name": "Baculoviral IAP repeat-containing protein 2/Epidermal growth factor receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4802032", "category": ["biolink:MolecularActivity"], "name": "Baculoviral IAP repeat-containing protein 2/Aldo-keto reductase family 1 member B1"}
{"name": "Glycogen synthase kinase-3 beta", "xref": ["CHEMBL.TARGET:CHEMBL3669"], "id": "UniProtKB:P18266", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4802033", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Glycogen synthase kinase-3 beta"}
{"name": "Protein cereblon", "id": "UniProtKB:Q56AP7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL4802034", "category": ["biolink:MolecularActivity"], "name": "HEC1/NEK2"}
{"name": "Kinetochore protein NDC80 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5660"], "id": "UniProtKB:O14777", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4879528", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Protein-tyrosine phosphatase 2C"}
{"id": "CHEMBL.TARGET:CHEMBL4879529", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Serine/threonine-protein kinase RIPK2"}
{"id": "CHEMBL.TARGET:CHEMBL4879530", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Eukaryotic translation initiation factor 4E"}
{"id": "CHEMBL.TARGET:CHEMBL4879531", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Platelet-derived growth factor receptor beta"}
{"id": "CHEMBL.TARGET:CHEMBL4879532", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Zinc finger protein 827"}
{"name": "Zinc finger protein 827", "id": "UniProtKB:Q17R98", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4879533", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Zinc finger protein 692"}
{"name": "Zinc finger protein 692", "id": "UniProtKB:Q9BU19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bromodomain-containing protein 9", "xref": ["CHEMBL.TARGET:CHEMBL3108640"], "id": "UniProtKB:Q9H8M2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4879534", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Bromodomain-containing protein 9"}
{"id": "CHEMBL.TARGET:CHEMBL4879535", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-dependent kinase 12"}
{"id": "CHEMBL.TARGET:CHEMBL4879536", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Sal-like protein 4"}
{"name": "Sal-like protein 4", "xref": ["CHEMBL.TARGET:CHEMBL6067463"], "id": "UniProtKB:Q9UJQ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4879537", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/ALK tyrosine kinase receptor"}
{"id": "CHEMBL.TARGET:CHEMBL4879538", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tumour suppressor p53/oncoprotein Mdm2"}
{"id": "CHEMBL.TARGET:CHEMBL4888447", "category": ["biolink:MolecularActivity"], "name": "E3 ubiquitin-protein ligase XIAP/Receptor-interacting serine/threonine-protein kinase 2"}
{"id": "CHEMBL.TARGET:CHEMBL4888449", "category": ["biolink:MolecularActivity"], "name": "Catenin beta-1/Cadherin-1"}
{"name": "Dual specificity mitogen-activated protein kinase kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL2109"], "id": "UniProtKB:P46734", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4888452", "category": ["biolink:MolecularActivity"], "name": "MAP2K3/Myc proto-oncogene protein"}
{"id": "CHEMBL.TARGET:CHEMBL4888458", "category": ["biolink:MolecularActivity"], "name": "CDC42/Intersectin-1"}
{"name": "Intersectin-1", "xref": ["CHEMBL.TARGET:CHEMBL4523302"], "id": "UniProtKB:Q15811", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4888460", "category": ["biolink:MolecularActivity"], "name": "Spike glycoprotein/Angiotensin-converting enzyme 2"}
{"id": "CHEMBL.TARGET:CHEMBL5169061", "category": ["biolink:MolecularActivity"], "name": "IDO1/von Hippel-Lindau disease tumor suppressor"}
{"id": "CHEMBL.TARGET:CHEMBL5169062", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/TBXT"}
{"name": "T-box transcription factor T", "id": "UniProtKB:O15178", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5169063", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/BANF1"}
{"name": "Barrier-to-autointegration factor", "id": "UniProtKB:O75531", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-lysine N-methyltransferase NSD2", "xref": ["CHEMBL.TARGET:CHEMBL3108645"], "id": "UniProtKB:O96028", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5169064", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/NSD2"}
{"id": "CHEMBL.TARGET:CHEMBL5169065", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/HMGCR"}
{"id": "CHEMBL.TARGET:CHEMBL5169066", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/GSPT1"}
{"id": "CHEMBL.TARGET:CHEMBL5169067", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/WEE1"}
{"id": "CHEMBL.TARGET:CHEMBL5169068", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/AKT1"}
{"id": "CHEMBL.TARGET:CHEMBL5169069", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/WDR5"}
{"id": "CHEMBL.TARGET:CHEMBL5169070", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/SOS1"}
{"id": "CHEMBL.TARGET:CHEMBL5169071", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/SOS2"}
{"name": "Son of sevenless homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL4524041"], "id": "UniProtKB:Q07890", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5169072", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/SUZ12"}
{"id": "CHEMBL.TARGET:CHEMBL5169073", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/EZH2"}
{"name": "Serine/threonine-protein kinase Sgk3", "xref": ["CHEMBL.TARGET:CHEMBL6186"], "id": "UniProtKB:Q96BR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5169074", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/SGK3"}
{"name": "G-protein coupled estrogen receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5872"], "id": "UniProtKB:Q99527", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5169075", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/GPER1"}
{"id": "CHEMBL.TARGET:CHEMBL5169076", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/HDAC9"}
{"id": "CHEMBL.TARGET:CHEMBL5169077", "category": ["biolink:MolecularActivity"], "name": "SOS1/von Hippel-Lindau disease tumor suppressor/ELOC/ELOB"}
{"id": "CHEMBL.TARGET:CHEMBL5169078", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/KDM1A/HDAC1/RCOR1"}
{"id": "CHEMBL.TARGET:CHEMBL5169079", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/AXL"}
{"id": "CHEMBL.TARGET:CHEMBL5169080", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/ADORA1"}
{"id": "CHEMBL.TARGET:CHEMBL5169081", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/AKT1"}
{"id": "CHEMBL.TARGET:CHEMBL5169082", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/AKT2"}
{"id": "CHEMBL.TARGET:CHEMBL5169083", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/BSG"}
{"id": "CHEMBL.TARGET:CHEMBL5169084", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/CUL4A/AR"}
{"id": "CHEMBL.TARGET:CHEMBL5169085", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/CDK13"}
{"id": "CHEMBL.TARGET:CHEMBL5169086", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/EZH2"}
{"id": "CHEMBL.TARGET:CHEMBL5169087", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/STING1"}
{"name": "Mitogen-activated protein kinase kinase kinase kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5749"], "id": "UniProtKB:Q92918", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5169088", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/MAP4K1"}
{"id": "CHEMBL.TARGET:CHEMBL5169089", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/PARP2"}
{"id": "CHEMBL.TARGET:CHEMBL5169090", "category": ["biolink:MolecularActivity"], "name": "Vhl/Hdac4"}
{"name": "Indoleamine 2,3-dioxygenase 1", "xref": ["CHEMBL.TARGET:CHEMBL1075294"], "id": "UniProtKB:P28776", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5169091", "category": ["biolink:MolecularActivity"], "name": "Ido1/Crbn"}
{"id": "CHEMBL.TARGET:CHEMBL5169264", "category": ["biolink:MolecularActivity"], "name": "BCL2/BCL2L11"}
{"id": "CHEMBL.TARGET:CHEMBL5169265", "category": ["biolink:MolecularActivity"], "name": "BCL2/BID"}
{"name": "Bcl2-associated agonist of cell death", "xref": ["CHEMBL.TARGET:CHEMBL3817"], "id": "UniProtKB:Q92934", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5169266", "category": ["biolink:MolecularActivity"], "name": "BCL2/BAD"}
{"id": "CHEMBL.TARGET:CHEMBL5169267", "category": ["biolink:MolecularActivity"], "name": "BCL2L1/BAD"}
{"id": "CHEMBL.TARGET:CHEMBL5169268", "category": ["biolink:MolecularActivity"], "name": "BCL2A1/BID"}
{"id": "CHEMBL.TARGET:CHEMBL5169269", "category": ["biolink:MolecularActivity"], "name": "BCL2A1/BAK1"}
{"id": "CHEMBL.TARGET:CHEMBL5169270", "category": ["biolink:MolecularActivity"], "name": "BCL2A11/BBC3"}
{"id": "CHEMBL.TARGET:CHEMBL5169271", "category": ["biolink:MolecularActivity"], "name": "BCL2L2/BID"}
{"id": "CHEMBL.TARGET:CHEMBL5169272", "category": ["biolink:MolecularActivity"], "name": "BCL2L10/BID"}
{"id": "CHEMBL.TARGET:CHEMBL5169273", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/KRAS"}
{"id": "CHEMBL.TARGET:CHEMBL5291676", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/BET1 homolog"}
{"name": "BET1 homolog", "id": "UniProtKB:O15155", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291677", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/FGFR1"}
{"id": "CHEMBL.TARGET:CHEMBL5291678", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/FGFR2"}
{"id": "CHEMBL.TARGET:CHEMBL5291679", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/FGFR4"}
{"id": "CHEMBL.TARGET:CHEMBL5291680", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/FGFR3"}
{"id": "CHEMBL.TARGET:CHEMBL5291681", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/SOS1"}
{"id": "CHEMBL.TARGET:CHEMBL5291682", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Serine/threonine-protein kinase PAK 1"}
{"id": "CHEMBL.TARGET:CHEMBL5291683", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Serine/threonine-protein kinase PAK 2"}
{"id": "CHEMBL.TARGET:CHEMBL5291684", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Proteasomal ubiquitin receptor ADRM1"}
{"id": "CHEMBL.TARGET:CHEMBL5291685", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/DNA damage-binding protein 1/Tyrosine-protein kinase Lck"}
{"name": "Bromodomain-containing protein 7", "xref": ["CHEMBL.TARGET:CHEMBL3085622"], "id": "UniProtKB:Q9NPI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291686", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Bromodomain-containing protein 7"}
{"id": "CHEMBL.TARGET:CHEMBL5291687", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/RAC-gamma serine/threonine-protein kinase"}
{"id": "CHEMBL.TARGET:CHEMBL5291688", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/FGFR1"}
{"id": "CHEMBL.TARGET:CHEMBL5291689", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/PDE6D"}
{"name": "Transcription intermediary factor 1-alpha", "xref": ["CHEMBL.TARGET:CHEMBL3108638"], "id": "UniProtKB:O15164", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291690", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/TRIM24"}
{"id": "CHEMBL.TARGET:CHEMBL5291691", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Vascular endothelial growth factor receptor 2"}
{"id": "CHEMBL.TARGET:CHEMBL5291692", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/E3 ubiquitin-protein ligase Mdm2"}
{"id": "CHEMBL.TARGET:CHEMBL5291693", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/NTMT2"}
{"name": "N-terminal Xaa-Pro-Lys N-methyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL4630834"], "id": "UniProtKB:Q5VVY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291694", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/NTMT1"}
{"name": "N-terminal Xaa-Pro-Lys N-methyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4523442"], "id": "UniProtKB:Q9BV86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291695", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 9"}
{"id": "CHEMBL.TARGET:CHEMBL5291696", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 7"}
{"name": "Folliculin-interacting protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5291519"], "id": "UniProtKB:Q8TF40", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291963", "category": ["biolink:MolecularActivity"], "name": "Protein fem-1 homolog B/Folliculin-interacting protein 1"}
{"name": "Protein fem-1 homolog B", "xref": ["CHEMBL.TARGET:CHEMBL5291587"], "id": "UniProtKB:Q9UK73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291964", "category": ["biolink:MolecularActivity"], "name": "Protein fem-1 homolog B/Bromodomain-containing protein 4"}
{"id": "CHEMBL.TARGET:CHEMBL5291965", "category": ["biolink:MolecularActivity"], "name": "DDB1- and CUL4-associated factor 15/Bromodomain-containing protein 9"}
{"name": "DDB1- and CUL4-associated factor 15", "xref": ["CHEMBL.TARGET:CHEMBL5465261"], "id": "UniProtKB:Q66K64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291966", "category": ["biolink:MolecularActivity"], "name": "DDB1- and CUL4-associated factor 15/Bromodomain-containing protein 7"}
{"id": "CHEMBL.TARGET:CHEMBL5291967", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/BRAF"}
{"id": "CHEMBL.TARGET:CHEMBL5291968", "category": ["biolink:MolecularActivity"], "name": "E3 ubiquitin-protein ligase XIAP/Tyrosine-protein kinase BTK"}
{"id": "CHEMBL.TARGET:CHEMBL5291975", "category": ["biolink:MolecularActivity"], "name": "Ephrin type-A receptor 2/Ephrin-A1"}
{"name": "Ephrin-A1", "id": "UniProtKB:P20827", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291977", "category": ["biolink:MolecularActivity"], "name": "GTPase KRas/RAF1"}
{"name": "Protein polybromo-1", "xref": ["CHEMBL.TARGET:CHEMBL1795184"], "id": "UniProtKB:Q86U86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291979", "category": ["biolink:MolecularActivity"], "name": "Protein polybromo-1/von Hippel-Lindau disease tumor suppressor"}
{"id": "CHEMBL.TARGET:CHEMBL5465201", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Aurora kinase A"}
{"id": "CHEMBL.TARGET:CHEMBL5465202", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Myc proto-oncogene protein"}
{"id": "CHEMBL.TARGET:CHEMBL5465203", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Serine/threonine-protein kinase PLK4"}
{"id": "CHEMBL.TARGET:CHEMBL5465204", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Serine/threonine-protein kinase GAK"}
{"id": "CHEMBL.TARGET:CHEMBL5465205", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/MAP kinase p38 delta"}
{"id": "CHEMBL.TARGET:CHEMBL5465206", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Carbonic anhydrase II"}
{"name": "Tyrosine-protein phosphatase non-receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL3807"], "id": "UniProtKB:P17706", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465207", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/T-cell protein-tyrosine phosphatase"}
{"id": "CHEMBL.TARGET:CHEMBL5465208", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Phospholipid hydroperoxide glutathione peroxidase"}
{"name": "Phospholipid hydroperoxide glutathione peroxidase GPX4", "xref": ["CHEMBL.TARGET:CHEMBL4295754"], "id": "UniProtKB:P36969", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465209", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Alpha-synuclein"}
{"name": "Hexokinase-2", "xref": ["CHEMBL.TARGET:CHEMBL2640"], "id": "UniProtKB:P52789", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465210", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Hexokinase type II"}
{"id": "CHEMBL.TARGET:CHEMBL5465211", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/WD repeat-containing protein 5"}
{"id": "CHEMBL.TARGET:CHEMBL5465212", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/E3 ubiquitin-protein ligase XIAP"}
{"id": "CHEMBL.TARGET:CHEMBL5465213", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein kinase ITK/TSK"}
{"id": "CHEMBL.TARGET:CHEMBL5465214", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone acetyltransferase p300"}
{"id": "CHEMBL.TARGET:CHEMBL5465215", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Baculoviral IAP repeat-containing protein 3"}
{"id": "CHEMBL.TARGET:CHEMBL5465216", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Baculoviral IAP repeat-containing protein 2"}
{"id": "CHEMBL.TARGET:CHEMBL5465217", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Receptor-interacting serine/threonine-protein kinase 1"}
{"name": "PCNA-associated factor", "xref": ["CHEMBL.TARGET:CHEMBL5574"], "id": "UniProtKB:Q15004", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465218", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/PCNA-associated factor"}
{"name": "Leucine-rich repeat serine/threonine-protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL1075104"], "id": "UniProtKB:Q5S007", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465219", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Leucine-rich repeat serine/threonine-protein kinase 2"}
{"name": "Mixed lineage kinase domain-like protein", "xref": ["CHEMBL.TARGET:CHEMBL1938217"], "id": "UniProtKB:Q8NB16", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465220", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Mixed lineage kinase domain-like protein"}
{"id": "CHEMBL.TARGET:CHEMBL5465221", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/CREB-binding protein"}
{"id": "CHEMBL.TARGET:CHEMBL5465222", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone deacetylase 8"}
{"name": "NAD-dependent protein deacetylase sirtuin-7", "xref": ["CHEMBL.TARGET:CHEMBL2163184"], "id": "UniProtKB:Q9NRC8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465223", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/NAD-dependent protein deacetylase sirtuin-7"}
{"name": "Serine/threonine-protein kinase DCLK1", "xref": ["CHEMBL.TARGET:CHEMBL5683"], "id": "UniProtKB:O15075", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465224", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Serine/threonine-protein kinase DCLK1"}
{"name": "L-lactate dehydrogenase A chain", "xref": ["CHEMBL.TARGET:CHEMBL4835"], "id": "UniProtKB:P00338", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465226", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/L-lactate dehydrogenase A chain"}
{"id": "CHEMBL.TARGET:CHEMBL5465227", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Receptor protein-tyrosine kinase erbB-2"}
{"name": "L-lactate dehydrogenase B chain", "xref": ["CHEMBL.TARGET:CHEMBL4940"], "id": "UniProtKB:P07195", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465228", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/L-lactate dehydrogenase B chain"}
{"id": "CHEMBL.TARGET:CHEMBL5465229", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/T-cell protein-tyrosine phosphatase"}
{"name": "Tyrosine-protein phosphatase non-receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL335"], "id": "UniProtKB:P18031", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465230", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Protein-tyrosine phosphatase 1B"}
{"id": "CHEMBL.TARGET:CHEMBL5465231", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Phospholipid hydroperoxide glutathione peroxidase"}
{"id": "CHEMBL.TARGET:CHEMBL5465232", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Alpha-synuclein"}
{"name": "Histone-arginine methyltransferase CARM1", "xref": ["CHEMBL.TARGET:CHEMBL5406"], "id": "UniProtKB:Q86X55", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465233", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone-arginine methyltransferase CARM1"}
{"id": "CHEMBL.TARGET:CHEMBL5465234", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Nicotinamide phosphoribosyltransferase"}
{"name": "Probable global transcription activator SNF2L2", "synonym": ["SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 2"], "xref": ["CHEMBL.TARGET:CHEMBL2362979"], "id": "UniProtKB:P51531", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465235", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2"}
{"id": "CHEMBL.TARGET:CHEMBL5465236", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Mitogen-activated protein kinase 7"}
{"id": "CHEMBL.TARGET:CHEMBL5465237", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/1-phosphatidylinositol 3-phosphate 5-kinase"}
{"id": "CHEMBL.TARGET:CHEMBL5465239", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Leucine-rich repeat serine/threonine-protein kinase 2"}
{"id": "CHEMBL.TARGET:CHEMBL5465240", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone deacetylase 8"}
{"id": "CHEMBL.TARGET:CHEMBL5465241", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/E3 ubiquitin-protein ligase XIAP"}
{"id": "CHEMBL.TARGET:CHEMBL5465242", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor-Baculoviral IAP repeat-containing protein 3"}
{"id": "CHEMBL.TARGET:CHEMBL5465243", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Baculoviral IAP repeat-containing protein 2"}
{"id": "CHEMBL.TARGET:CHEMBL5465244", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Tyrosine-protein kinase receptor UFO"}
{"id": "CHEMBL.TARGET:CHEMBL5465245", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cyclin-dependent kinase 12"}
{"name": "Hexokinase-2", "xref": ["CHEMBL.TARGET:CHEMBL4105980"], "id": "UniProtKB:O08528", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5465246", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Hexokinase-2"}
{"id": "CHEMBL.TARGET:CHEMBL5465247", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein kinase ITK/TSK"}
{"name": "Tyrosine-protein kinase ITK/TSK", "xref": ["CHEMBL.TARGET:CHEMBL6067600"], "id": "UniProtKB:Q03526", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5465248", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-G-associated kinase"}
{"name": "Cyclin-G-associated kinase", "id": "UniProtKB:Q99KY4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5465249", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Kelch-like ECH-associated protein 1"}
{"id": "CHEMBL.TARGET:CHEMBL5465251", "category": ["biolink:MolecularActivity"], "name": "MDM2-HDAC3"}
{"id": "CHEMBL.TARGET:CHEMBL5465252", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor-LRRK2"}
{"id": "CHEMBL.TARGET:CHEMBL5465379", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/LIMD1"}
{"name": "LIM domain-containing protein 1", "id": "UniProtKB:Q9UGP4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465382", "category": ["biolink:MolecularActivity"], "name": "MDM2-HDAC1"}
{"id": "CHEMBL.TARGET:CHEMBL5465383", "category": ["biolink:MolecularActivity"], "name": "MDM2-HDAC2"}
{"id": "CHEMBL.TARGET:CHEMBL5465396", "category": ["biolink:MolecularActivity"], "name": "DCAF1-BRD9"}
{"name": "DDB1- and CUL4-associated factor 1", "xref": ["CHEMBL.TARGET:CHEMBL5465521"], "id": "UniProtKB:Q9Y4B6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465397", "category": ["biolink:MolecularActivity"], "name": "DCAF16-BRD4"}
{"name": "DDB1- and CUL4-associated factor 16", "id": "UniProtKB:Q9NXF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465398", "category": ["biolink:MolecularActivity"], "name": "TEAD3-YAP1"}
{"name": "Transcriptional enhancer factor TEF-5", "xref": ["CHEMBL.TARGET:CHEMBL4523435"], "id": "UniProtKB:Q99594", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465399", "category": ["biolink:MolecularActivity"], "name": "DCAF11-BRD4"}
{"name": "DDB1- and CUL4-associated factor 11", "id": "UniProtKB:Q8TEB1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465400", "category": ["biolink:MolecularActivity"], "name": "MSN-CD44"}
{"name": "Moesin", "xref": ["CHEMBL.TARGET:CHEMBL4295733"], "id": "UniProtKB:P26038", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465522", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/MAP kinase p38 alpha"}
{"name": "Histone-lysine N-methyltransferase NSD3", "xref": ["CHEMBL.TARGET:CHEMBL3108646"], "id": "UniProtKB:Q9BZ95", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465523", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/NSD3"}
{"id": "CHEMBL.TARGET:CHEMBL5465553", "category": ["biolink:MolecularActivity"], "name": "WDR5-MYC"}
{"id": "CHEMBL.TARGET:CHEMBL5465554", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon-IKZF2"}
{"name": "Zinc finger protein Helios", "xref": ["CHEMBL.TARGET:CHEMBL5465255"], "id": "UniProtKB:Q9UKS7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5465555", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor-Estrogen receptor beta"}
{"id": "CHEMBL.TARGET:CHEMBL5465556", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon-HDAC9"}
{"id": "CHEMBL.TARGET:CHEMBL5465557", "category": ["biolink:MolecularActivity"], "name": "CCN2-EGFR"}
{"id": "CHEMBL.TARGET:CHEMBL5465558", "category": ["biolink:MolecularActivity"], "name": "TEAD2-YAP1"}
{"name": "Transcriptional enhancer factor TEF-4", "xref": ["CHEMBL.TARGET:CHEMBL4523301"], "id": "UniProtKB:Q15562", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Catenin beta-1", "xref": ["CHEMBL.TARGET:CHEMBL4105846"], "id": "UniProtKB:Q02248", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5482970", "category": ["biolink:MolecularActivity"], "name": "Beta catenin-BCL9"}
{"name": "B-cell CLL/lymphoma 9 protein", "id": "UniProtKB:Q9D219", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5482971", "category": ["biolink:MolecularActivity"], "name": "ICOS-ICOSL"}
{"id": "CHEMBL.TARGET:CHEMBL5482973", "category": ["biolink:MolecularActivity"], "name": "SKP1-SKP2-CKS1"}
{"id": "CHEMBL.TARGET:CHEMBL5482974", "category": ["biolink:MolecularActivity"], "name": "VEGA-NRP1"}
{"id": "CHEMBL.TARGET:CHEMBL5482981", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/PTPN2"}
{"name": "Receptor-type tyrosine-protein phosphatase N2", "id": "UniProtKB:P80560", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5482982", "category": ["biolink:MolecularActivity"], "name": "NLRP3-NEK7"}
{"name": "Serine/threonine-protein kinase Nek7", "id": "UniProtKB:Q9ES74", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5482984", "category": ["biolink:MolecularActivity"], "name": "LC3-B-PDEdelta"}
{"name": "Microtubule-associated proteins 1A/1B light chain 3B", "synonym": ["Microtubule-associated protein 1 light chain 3 beta"], "xref": ["CHEMBL.TARGET:CHEMBL4879514"], "id": "UniProtKB:Q9GZQ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5482986", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon-MLKL"}
{"name": "Mixed lineage kinase domain-like protein", "xref": ["CHEMBL.TARGET:CHEMBL5465354"], "id": "UniProtKB:Q9D2Y4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5482987", "category": ["biolink:MolecularActivity"], "name": "cIAP1-BTK"}
{"name": "Nicotinamide phosphoribosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3259474"], "id": "UniProtKB:Q99KQ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5482989", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor-Nicotinamide phosphoribosyltransferase"}
{"id": "CHEMBL.TARGET:CHEMBL5482990", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor-CBP"}
{"id": "CHEMBL.TARGET:CHEMBL5482992", "category": ["biolink:MolecularActivity"], "name": "HDAC6-ISG15"}
{"name": "Ubiquitin-like protein ISG15", "id": "UniProtKB:P05161", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase RIO1", "xref": ["CHEMBL.TARGET:CHEMBL5975"], "id": "UniProtKB:Q9BRS2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483002", "category": ["biolink:MolecularActivity"], "name": "PRMT5-Riok1"}
{"id": "CHEMBL.TARGET:CHEMBL5483003", "category": ["biolink:MolecularActivity"], "name": "TLR4-MyD88"}
{"name": "Myeloid differentiation primary response protein MyD88", "xref": ["CHEMBL.TARGET:CHEMBL4523204"], "id": "UniProtKB:P22366", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5483007", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/LSD1/HDAC2/RCOR1"}
{"id": "CHEMBL.TARGET:CHEMBL5483008", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/LSD1/HDAC3/RCOR1"}
{"name": "Erbin", "id": "UniProtKB:Q96RT1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483009", "category": ["biolink:MolecularActivity"], "name": "ERBIN-P0071"}
{"name": "Plakophilin-4", "id": "UniProtKB:Q99569", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Patatin-like phospholipase domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3822353"], "id": "UniProtKB:Q96AD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483085", "category": ["biolink:MolecularActivity"], "name": "COP1-AGTL"}
{"name": "E3 ubiquitin-protein ligase COP1", "xref": ["CHEMBL.TARGET:CHEMBL5465335"], "id": "UniProtKB:Q8NHY2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5483090", "category": ["biolink:MolecularActivity"], "name": "cIAP1-alpha-Synuclein"}
{"id": "CHEMBL.TARGET:CHEMBL5483091", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor-EP300"}
{"name": "Tyrosine-protein kinase BTK", "xref": ["CHEMBL.TARGET:CHEMBL3259478"], "id": "UniProtKB:P35991", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL5483101", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon-BTK"}
{"id": "CHEMBL.TARGET:CHEMBL5483121", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon-BTK"}
{"name": "Tyrosine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL4879468"], "id": "UniProtKB:Q5S255", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL5483195", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon-BCR-ABL"}
{"id": "CHEMBL.TARGET:CHEMBL5483196", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon-KRAS"}
{"id": "CHEMBL.TARGET:CHEMBL5739542", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone-lysine N-methyltransferase EHMT1"}
{"id": "CHEMBL.TARGET:CHEMBL5739543", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Programmed cell death 1 ligand 1"}
{"name": "Tyrosine-protein phosphatase non-receptor type 22", "xref": ["CHEMBL.TARGET:CHEMBL2889"], "id": "UniProtKB:Q9Y2R2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5739544", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein phosphatase non-receptor type 22"}
{"name": "Chromobox protein homolog 8", "xref": ["CHEMBL.TARGET:CHEMBL3232684"], "id": "UniProtKB:Q9HC52", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5739545", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Chromobox protein homolog 8"}
{"id": "CHEMBL.TARGET:CHEMBL5739546", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Serine/threonine-protein kinase ATR"}
{"name": "Dual specificity tyrosine-phosphorylation-regulated kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL4376"], "id": "UniProtKB:Q92630", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5739547", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Dual specificity tyrosine-phosphorylation-regulated kinase 2"}
{"id": "CHEMBL.TARGET:CHEMBL5739548", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone-lysine N-methyltransferase EHMT2"}
{"name": "Ubiquitin carboxyl-terminal hydrolase 7", "xref": ["CHEMBL.TARGET:CHEMBL2157850"], "id": "UniProtKB:Q93009", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5739549", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Ubiquitin carboxyl-terminal hydrolase 7"}
{"id": "CHEMBL.TARGET:CHEMBL6066021", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein phosphatase non-receptor type 1"}
{"id": "CHEMBL.TARGET:CHEMBL6066022", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Programmed cell death protein 2"}
{"name": "Programmed cell death protein 2", "id": "UniProtKB:Q16342", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066023", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Polycomb protein SUZ12"}
{"id": "CHEMBL.TARGET:CHEMBL6066024", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Lysine-specific demethylase 5B"}
{"id": "CHEMBL.TARGET:CHEMBL6066025", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Microtubule-associated protein tau"}
{"id": "CHEMBL.TARGET:CHEMBL6066026", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Nicotinamide phosphoribosyltransferase"}
{"id": "CHEMBL.TARGET:CHEMBL6066027", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein kinase Lck"}
{"id": "CHEMBL.TARGET:CHEMBL6066028", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Protein Aster-A"}
{"name": "Protein Aster-A", "xref": ["CHEMBL.TARGET:CHEMBL5725017"], "id": "UniProtKB:Q96CP6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066029", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Terminal nucleotidyltransferase 4B"}
{"name": "Terminal nucleotidyltransferase 4B", "xref": ["CHEMBL.TARGET:CHEMBL4680036"], "id": "UniProtKB:Q8NDF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066030", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Heat shock protein HSP 90-beta"}
{"id": "CHEMBL.TARGET:CHEMBL6066031", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Transcriptional enhancer factor TEF-5"}
{"id": "CHEMBL.TARGET:CHEMBL6066032", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/E3 ubiquitin-protein ligase RING2"}
{"name": "E3 ubiquitin-protein ligase RING2", "id": "UniProtKB:Q99496", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysine-specific demethylase 5C", "xref": ["CHEMBL.TARGET:CHEMBL2163176"], "id": "UniProtKB:P41229", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066033", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Lysine-specific demethylase 5C"}
{"id": "CHEMBL.TARGET:CHEMBL6066034", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Transcriptional coactivator YAP1"}
{"id": "CHEMBL.TARGET:CHEMBL6066035", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone-lysine N-methyltransferase NSD3"}
{"name": "Maternal embryonic leucine zipper kinase", "xref": ["CHEMBL.TARGET:CHEMBL4578"], "id": "UniProtKB:Q14680", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066036", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Maternal embryonic leucine zipper kinase"}
{"id": "CHEMBL.TARGET:CHEMBL6066037", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Receptor-type tyrosine-protein phosphatase C"}
{"id": "CHEMBL.TARGET:CHEMBL6066038", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Transcriptional enhancer factor TEF-3"}
{"name": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1", "xref": ["CHEMBL.TARGET:CHEMBL2288"], "id": "UniProtKB:Q13526", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066039", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1"}
{"name": "Histone-lysine N-methyltransferase, H3 lysine-36 specific", "xref": ["CHEMBL.TARGET:CHEMBL3588738"], "id": "UniProtKB:Q96L73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066040", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone-lysine N-methyltransferase, H3 lysine-36 specific"}
{"id": "CHEMBL.TARGET:CHEMBL6066041", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cytochrome P450 1B1"}
{"id": "CHEMBL.TARGET:CHEMBL6066042", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Polycomb complex protein BMI-1"}
{"name": "Polycomb complex protein BMI-1", "xref": ["CHEMBL.TARGET:CHEMBL4295749"], "id": "UniProtKB:P35226", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066043", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/E3 ubiquitin-protein ligase RING1"}
{"name": "E3 ubiquitin-protein ligase RING1", "id": "UniProtKB:Q06587", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066044", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/D-dopachrome decarboxylase"}
{"name": "D-dopachrome decarboxylase", "xref": ["CHEMBL.TARGET:CHEMBL5724909"], "id": "UniProtKB:P30046", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066045", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Probable global transcription activator SNF2L2"}
{"id": "CHEMBL.TARGET:CHEMBL6066046", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Heat shock protein HSP 90-alpha"}
{"id": "CHEMBL.TARGET:CHEMBL6066047", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Histone-lysine N-methyltransferase NSD2"}
{"id": "CHEMBL.TARGET:CHEMBL6066048", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Parkinson disease protein 7"}
{"name": "Parkinson disease protein 7", "xref": ["CHEMBL.TARGET:CHEMBL5169188"], "id": "UniProtKB:Q99497", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066049", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Cyclin-K"}
{"id": "CHEMBL.TARGET:CHEMBL6066050", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Transcriptional enhancer factor TEF-4"}
{"id": "CHEMBL.TARGET:CHEMBL6066051", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Transcriptional enhancer factor TEF-1"}
{"id": "CHEMBL.TARGET:CHEMBL6066052", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Polycomb protein EED"}
{"id": "CHEMBL.TARGET:CHEMBL6066053", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/RING1 and YY1-binding protein"}
{"name": "RING1 and YY1-binding protein", "id": "UniProtKB:Q8N488", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066054", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Lysine-specific demethylase 5A"}
{"id": "CHEMBL.TARGET:CHEMBL6066055", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tubulin beta-3 chain"}
{"name": "Tyrosine-protein phosphatase non-receptor type 6", "xref": ["CHEMBL.TARGET:CHEMBL3166"], "id": "UniProtKB:P29350", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066056", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein phosphatase non-receptor type 6"}
{"id": "CHEMBL.TARGET:CHEMBL6066057", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tyrosine-protein kinase JAK3"}
{"id": "CHEMBL.TARGET:CHEMBL6066058", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Non-receptor tyrosine-protein kinase TYK2"}
{"id": "CHEMBL.TARGET:CHEMBL6066121", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cyclin-dependent kinase 1"}
{"id": "CHEMBL.TARGET:CHEMBL6066122", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Aromatase"}
{"id": "CHEMBL.TARGET:CHEMBL6066123", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cyclin-dependent kinase 2"}
{"id": "CHEMBL.TARGET:CHEMBL6066125", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cytochrome P450 1A1"}
{"id": "CHEMBL.TARGET:CHEMBL6066126", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Fibroblast growth factor receptor 2"}
{"id": "CHEMBL.TARGET:CHEMBL6066127", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Mitogen-activated protein kinase kinase kinase 9"}
{"id": "CHEMBL.TARGET:CHEMBL6066128", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Mitogen-activated protein kinase kinase kinase 10"}
{"id": "CHEMBL.TARGET:CHEMBL6066129", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Serine-protein kinase ATM"}
{"id": "CHEMBL.TARGET:CHEMBL6066130", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Receptor-interacting serine/threonine-protein kinase 1"}
{"id": "CHEMBL.TARGET:CHEMBL6066131", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Mitogen-activated protein kinase kinase kinase 11"}
{"id": "CHEMBL.TARGET:CHEMBL6066132", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cytochrome P450 1B1"}
{"id": "CHEMBL.TARGET:CHEMBL6066133", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Mitogen-activated protein kinase kinase kinase 21"}
{"name": "Mitogen-activated protein kinase kinase kinase 21", "xref": ["CHEMBL.TARGET:CHEMBL3627584"], "id": "UniProtKB:Q5TCX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066134", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Endothelial PAS domain-containing protein 1"}
{"id": "CHEMBL.TARGET:CHEMBL6066135", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6"}
{"name": "Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6", "xref": ["CHEMBL.TARGET:CHEMBL4523345"], "id": "UniProtKB:Q6NYC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066136", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Serine/threonine-protein kinase ATR"}
{"id": "CHEMBL.TARGET:CHEMBL6066137", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Nuclear receptor coactivator 4"}
{"id": "CHEMBL.TARGET:CHEMBL6066138", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/LON peptidase N-terminal domain and RING finger protein 2"}
{"name": "LON peptidase N-terminal domain and RING finger protein 2", "id": "UniProtKB:Q1L5Z9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066139", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Ubiquitin carboxyl-terminal hydrolase 7"}
{"id": "CHEMBL.TARGET:CHEMBL6066140", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cyclin-dependent kinase 5"}
{"id": "CHEMBL.TARGET:CHEMBL6066141", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cyclin-dependent kinase 9"}
{"id": "CHEMBL.TARGET:CHEMBL6066142", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cyclin-dependent kinase 7"}
{"id": "CHEMBL.TARGET:CHEMBL6066143", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Cyclin-dependent kinase 8"}
{"id": "CHEMBL.TARGET:CHEMBL6066144", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Transcriptional coactivator YAP1"}
{"id": "CHEMBL.TARGET:CHEMBL6066145", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone-lysine N-methyltransferase EHMT2"}
{"id": "CHEMBL.TARGET:CHEMBL6066146", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Histone-lysine N-methyltransferase EHMT1"}
{"id": "CHEMBL.TARGET:CHEMBL6066147", "category": ["biolink:MolecularActivity"], "name": "Bromodomain-containing protein 4/Cellular tumor antigen p53"}
{"id": "CHEMBL.TARGET:CHEMBL6066148", "category": ["biolink:MolecularActivity"], "name": "Bromodomain-containing protein 4/Protein ENL"}
{"name": "Protein ENL", "xref": ["CHEMBL.TARGET:CHEMBL4295801"], "id": "UniProtKB:Q03111", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066149", "category": ["biolink:MolecularActivity"], "name": "Bromodomain-containing protein 4/DDB1- and CUL4-associated factor 15"}
{"id": "CHEMBL.TARGET:CHEMBL6066830", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor/Polymerase acidic protein"}
{"id": "CHEMBL.TARGET:CHEMBL6066834", "category": ["biolink:MolecularActivity"], "name": "CREB-binding protein/Histone acetyltransferase p300/Cellular tumor antigen p53"}
{"id": "CHEMBL.TARGET:CHEMBL6066839", "category": ["biolink:MolecularActivity"], "name": "Microtubule-associated protein 1 light chain 3 beta/Epidermal growth factor receptor"}
{"id": "CHEMBL.TARGET:CHEMBL6066840", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Interleukin-1 receptor-associated kinase 4"}
{"name": "Interleukin-1 receptor-associated kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL4630844"], "id": "UniProtKB:Q8R4K2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.TARGET:CHEMBL6066841", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Programmed cell death 1 ligand 1"}
{"id": "CHEMBL.TARGET:CHEMBL6066842", "category": ["biolink:MolecularActivity"], "name": "Glucose-induced degradation protein 4 homolog/EML4-ALK"}
{"name": "Glucose-induced degradation protein 4 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5169174"], "id": "UniProtKB:Q8IVV7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066843", "category": ["biolink:MolecularActivity"], "name": "E3 ubiquitin-protein ligase RNF126/Stimulator of interferon genes protein"}
{"name": "E3 ubiquitin-protein ligase RNF126", "id": "UniProtKB:Q9BV68", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066845", "category": ["biolink:MolecularActivity"], "name": "Glucose-induced degradation protein 4 homolog/Epidermal growth factor receptor"}
{"id": "CHEMBL.TARGET:CHEMBL6066847", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon/Tubulin beta"}
{"id": "CHEMBL.TARGET:CHEMBL6066859", "category": ["biolink:MolecularActivity"], "name": "Microtubule-associated protein 1 light chain 3 gamma/Sequestosome-1"}
{"name": "Microtubule-associated proteins 1A/1B light chain 3C", "synonym": ["Microtubule-associated protein 1 light chain 3 gamma"], "xref": ["CHEMBL.TARGET:CHEMBL4879505"], "id": "UniProtKB:Q9BXW4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066860", "category": ["biolink:MolecularActivity"], "name": "Microtubule-associated protein 1 light chain 3 beta/Sequestosome-1"}
{"id": "CHEMBL.TARGET:CHEMBL6066861", "category": ["biolink:MolecularActivity"], "name": "Microtubule-associated protein 1 light chain 3 alpha/Sequestosome-1"}
{"name": "Microtubule-associated proteins 1A/1B light chain 3A", "synonym": ["Microtubule-associated protein 1 light chain 3 alpha"], "xref": ["CHEMBL.TARGET:CHEMBL4879518"], "id": "UniProtKB:Q9H492", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6066862", "category": ["biolink:MolecularActivity"], "name": "ZYG11B/ZER1/EML4-ALK"}
{"name": "Protein zyg-11 homolog B", "id": "UniProtKB:Q9C0D3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein zer-1 homolog", "id": "UniProtKB:Q7Z7L7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL6067579", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon-alpha tubulin"}
{"id": "CHEMBL.TARGET:CHEMBL6067603", "category": ["biolink:MolecularActivity"], "name": "Protein cereblon-SARS-Cov-2 polyprotein"}
{"id": "CHEMBL.TARGET:CHEMBL6067604", "category": ["biolink:MolecularActivity"], "name": "von Hippel-Lindau disease tumor suppressor-SARS-Cov-2 polyprotein"}
{"id": "CHEMBL.TARGET:CHEMBL2094131", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptors; A1 & A2"}
{"name": "Sodium-dependent serotonin transporter", "xref": ["CHEMBL.TARGET:CHEMBL313"], "id": "UniProtKB:P31652", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2094252", "category": ["biolink:ProteinFamily"], "name": "Monoamine transporters; serotonin & dopamine"}
{"name": "Sodium-dependent dopamine transporter", "xref": ["CHEMBL.TARGET:CHEMBL338"], "id": "UniProtKB:P23977", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095149", "category": ["biolink:ProteinFamily"], "name": "Opioid receptors; mu & delta"}
{"id": "CHEMBL.TARGET:CHEMBL2095151", "category": ["biolink:ProteinFamily"], "name": "Opioid receptors; delta & kappa"}
{"id": "CHEMBL.TARGET:CHEMBL2095153", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase; PDE3 & PDE4"}
{"id": "CHEMBL.TARGET:CHEMBL2095155", "category": ["biolink:ProteinFamily"], "name": "Opioid receptors; mu & delta"}
{"id": "CHEMBL.TARGET:CHEMBL2095156", "category": ["biolink:ProteinFamily"], "name": "Opioid receptors; mu & kappa"}
{"id": "CHEMBL.TARGET:CHEMBL2095175", "category": ["biolink:ProteinFamily"], "name": "Monoamine transporters; Norepininephrine & dopamine"}
{"name": "Norepinephrine transporter", "synonym": ["Transporter"], "xref": ["CHEMBL.TARGET:CHEMBL304"], "id": "UniProtKB:Q9WTR4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2095187", "category": ["biolink:ProteinFamily"], "name": "Muscarinic acetylcholine receptors; M2 & M3"}
{"id": "CHEMBL.TARGET:CHEMBL2095195", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptors; A1 & A3"}
{"id": "CHEMBL.TARGET:CHEMBL2095201", "category": ["biolink:ProteinFamily"], "name": "Monoamine transporters; serotonin & dopamine"}
{"id": "CHEMBL.TARGET:CHEMBL2095213", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptors; A2a & A3"}
{"id": "CHEMBL.TARGET:CHEMBL2095218", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptors; A1 & A2a"}
{"id": "CHEMBL.TARGET:CHEMBL2095219", "category": ["biolink:ProteinFamily"], "name": "Muscarinic acetylcholine receptors; M1 & M2"}
{"id": "CHEMBL.TARGET:CHEMBL2095220", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterases; PDE5 & PDE6"}
{"id": "CHEMBL.TARGET:CHEMBL2095230", "category": ["biolink:ProteinFamily"], "name": "Serotonin 1 receptors; 5-HT1B & 5-HT1D"}
{"id": "CHEMBL.TARGET:CHEMBL2095234", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptors; A2b & A3"}
{"id": "CHEMBL.TARGET:CHEMBL2095396", "category": ["biolink:ProteinFamily"], "name": "Dopamine receptors; D2 & D4"}
{"id": "CHEMBL.TARGET:CHEMBL2096621", "category": ["biolink:ProteinFamily"], "name": "Nitric oxide sythases; iNOS & nNOS"}
{"id": "CHEMBL.TARGET:CHEMBL2096672", "category": ["biolink:ProteinFamily"], "name": "Monoamine transporters; Norepinephrine & serotonin"}
{"id": "CHEMBL.TARGET:CHEMBL2096676", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptors; alpha-1 A & B"}
{"id": "CHEMBL.TARGET:CHEMBL2096679", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptors; A1 & A2"}
{"id": "CHEMBL.TARGET:CHEMBL2096681", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptors; A1 & A3"}
{"id": "CHEMBL.TARGET:CHEMBL2096683", "category": ["biolink:ProteinFamily"], "name": "Benzodiazepine receptors; peripheral & central"}
{"name": "Translocator protein", "xref": ["CHEMBL.TARGET:CHEMBL4552"], "id": "UniProtKB:P16257", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2096906", "category": ["biolink:ProteinFamily"], "name": "Carbonic anhydrases; II & IX"}
{"id": "CHEMBL.TARGET:CHEMBL2096908", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptors; A1 & A2b"}
{"id": "CHEMBL.TARGET:CHEMBL2096910", "category": ["biolink:ProteinFamily"], "name": "Dopamine receptors; D1 & D2"}
{"id": "CHEMBL.TARGET:CHEMBL2096974", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor beta; ADRB1 & ADRB2"}
{"id": "CHEMBL.TARGET:CHEMBL2096982", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptors; A1 & A2a"}
{"id": "CHEMBL.TARGET:CHEMBL2096988", "category": ["biolink:ProteinFamily"], "name": "Thrombin & trypsin"}
{"id": "CHEMBL.TARGET:CHEMBL2097165", "category": ["biolink:ProteinFamily"], "name": "Dopamine receptors; D3 & D4"}
{"id": "CHEMBL.TARGET:CHEMBL2097169", "category": ["biolink:ProteinFamily"], "name": "Adrenergic receptor beta; ADRB1 & ADRB3"}
{"id": "CHEMBL.TARGET:CHEMBL2097171", "category": ["biolink:ProteinFamily"], "name": "Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1"}
{"name": "Dihydrofolate reductase", "xref": ["CHEMBL.TARGET:CHEMBL2363"], "id": "UniProtKB:Q920D2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2097172", "category": ["biolink:ProteinFamily"], "name": "Dihydrofolate reductase; T. gondii vs rat"}
{"name": "Bifunctional dihydrofolate reductase-thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL2425"], "id": "UniProtKB:Q07422", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5811"]}
{"id": "CHEMBL.TARGET:CHEMBL2097173", "category": ["biolink:ProteinFamily"], "name": "Dihydrofolate reductase; P. carinii vs rat"}
{"id": "CHEMBL.TARGET:CHEMBL2097175", "category": ["biolink:ProteinFamily"], "name": "Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor"}
{"id": "CHEMBL.TARGET:CHEMBL2109245", "category": ["biolink:ProteinFamily"], "name": "Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor"}
{"id": "CHEMBL.TARGET:CHEMBL2111409", "category": ["biolink:ProteinFamily"], "name": "Vascular endothelial growth factor receptor 2 and 3 (KDR and Flt-4)"}
{"id": "CHEMBL.TARGET:CHEMBL2111412", "category": ["biolink:ProteinFamily"], "name": "Coagulation factor VII and X"}
{"id": "CHEMBL.TARGET:CHEMBL2111418", "category": ["biolink:ProteinFamily"], "name": "Muscarinic acetylcholine receptor M1 and M3"}
{"id": "CHEMBL.TARGET:CHEMBL2111419", "category": ["biolink:ProteinFamily"], "name": "Coagulation factor X and plasma kallikrein"}
{"id": "CHEMBL.TARGET:CHEMBL2111422", "category": ["biolink:ProteinFamily"], "name": "Matrix metalloproteinase (1 and 13)"}
{"id": "CHEMBL.TARGET:CHEMBL2111423", "category": ["biolink:ProteinFamily"], "name": "Melanocortin receptor (M1 and M4)"}
{"id": "CHEMBL.TARGET:CHEMBL2111428", "category": ["biolink:ProteinFamily"], "name": "VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)"}
{"id": "CHEMBL.TARGET:CHEMBL2111433", "category": ["biolink:ProteinFamily"], "name": "Muscarinic receptor M1 and M2"}
{"id": "CHEMBL.TARGET:CHEMBL2111434", "category": ["biolink:ProteinFamily"], "name": "VEGF-receptor 2 and Fibroblast growth factor receptor 2"}
{"id": "CHEMBL.TARGET:CHEMBL2111440", "category": ["biolink:ProteinFamily"], "name": "VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)"}
{"name": "Pro-cathepsin H", "xref": ["CHEMBL.TARGET:CHEMBL2225"], "id": "UniProtKB:P09668", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111441", "category": ["biolink:ProteinFamily"], "name": "Cathepsin (H and K)"}
{"id": "CHEMBL.TARGET:CHEMBL2111443", "category": ["biolink:ProteinFamily"], "name": "Integrin alpha-V/beta-3 and alpha-IIb/beta 3"}
{"id": "CHEMBL.TARGET:CHEMBL2111445", "category": ["biolink:ProteinFamily"], "name": "Muscarinic acetylcholine receptor M2 and M4"}
{"id": "CHEMBL.TARGET:CHEMBL2111447", "category": ["biolink:ProteinFamily"], "name": "Alpha adrenergic receptor 1A and 1D"}
{"id": "CHEMBL.TARGET:CHEMBL2111460", "category": ["biolink:ProteinFamily"], "name": "Dopamine D2 receptor and serotonin 1a receptor"}
{"id": "CHEMBL.TARGET:CHEMBL2111465", "category": ["biolink:ProteinFamily"], "name": "Opioid receptor (mu and kappa)"}
{"id": "CHEMBL.TARGET:CHEMBL2111466", "category": ["biolink:ProteinFamily"], "name": "Serotonin receptor (2b and 2c)"}
{"id": "CHEMBL.TARGET:CHEMBL2111467", "category": ["biolink:ProteinFamily"], "name": "Alpha adrenergic receptor (1a and 1d)"}
{"id": "CHEMBL.TARGET:CHEMBL2111468", "category": ["biolink:ProteinFamily"], "name": "Dopamine D2 receptor and serotonin 2a receptor"}
{"id": "CHEMBL.TARGET:CHEMBL2111469", "category": ["biolink:ProteinFamily"], "name": "Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)"}
{"name": "Dipeptidyl peptidase 2", "xref": ["CHEMBL.TARGET:CHEMBL3976"], "id": "UniProtKB:Q9UHL4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111470", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 2 and 5 (PDE2 and PDE5)"}
{"name": "Acetylcholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL3199"], "id": "UniProtKB:P37136", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111475", "category": ["biolink:ProteinFamily"], "name": "Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)"}
{"name": "Butyrylcholinesterase", "synonym": ["Carboxylic ester hydrolase"], "xref": ["CHEMBL.TARGET:CHEMBL3403"], "id": "UniProtKB:Q9JKC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.TARGET:CHEMBL2111476", "category": ["biolink:ProteinFamily"], "name": "Alpha adrenergic receptor 1A and 1B"}
{"id": "CHEMBL.TARGET:CHEMBL2111477", "category": ["biolink:ProteinFamily"], "name": "Thrombin and coagulation factor VII"}
{"id": "CHEMBL.TARGET:CHEMBL2111321", "category": ["biolink:ProteinFamily"], "name": "Matrix metalloproteinase (2 and 3)"}
{"id": "CHEMBL.TARGET:CHEMBL2111323", "category": ["biolink:ProteinFamily"], "name": "Melanocortin receptor (M3 and M4)"}
{"id": "CHEMBL.TARGET:CHEMBL2111325", "category": ["biolink:ProteinFamily"], "name": "PPAR alpha/gamma"}
{"id": "CHEMBL.TARGET:CHEMBL2111326", "category": ["biolink:ProteinFamily"], "name": "Cyclin-dependent kinase 2 and 4 (CDK2 and CDK4)"}
{"id": "CHEMBL.TARGET:CHEMBL2111336", "category": ["biolink:ProteinFamily"], "name": "VEGF-receptor 2 and tyrosine-protein kinase SRC"}
{"id": "CHEMBL.TARGET:CHEMBL2111340", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 4 and 5 (PDE4 and PDE5)"}
{"id": "CHEMBL.TARGET:CHEMBL2111342", "category": ["biolink:ProteinFamily"], "name": "Dopamine receptor D2 and D3"}
{"id": "CHEMBL.TARGET:CHEMBL2111346", "category": ["biolink:ProteinFamily"], "name": "Serotonin and norepinephrine transporters (SERT/NET)"}
{"id": "CHEMBL.TARGET:CHEMBL2111347", "category": ["biolink:ProteinFamily"], "name": "Muscarinic receptor M2 and M3"}
{"id": "CHEMBL.TARGET:CHEMBL2111350", "category": ["biolink:ProteinFamily"], "name": "Nitric oxide synthase (inducible and endothelial)"}
{"id": "CHEMBL.TARGET:CHEMBL2111368", "category": ["biolink:ProteinFamily"], "name": "Cathepsin (S and K)"}
{"id": "CHEMBL.TARGET:CHEMBL2111371", "category": ["biolink:ProteinFamily"], "name": "PPAR delta/gamma"}
{"id": "CHEMBL.TARGET:CHEMBL2111375", "category": ["biolink:ProteinFamily"], "name": "Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)"}
{"id": "CHEMBL.TARGET:CHEMBL2111378", "category": ["biolink:ProteinFamily"], "name": "Histamine receptor (H3 and H4)"}
{"id": "CHEMBL.TARGET:CHEMBL2111379", "category": ["biolink:ProteinFamily"], "name": "Thrombin and urokinase-type plasminogen activator"}
{"id": "CHEMBL.TARGET:CHEMBL2111380", "category": ["biolink:ProteinFamily"], "name": "Cathepsin (L and K)"}
{"name": "Procathepsin L", "xref": ["CHEMBL.TARGET:CHEMBL3837"], "id": "UniProtKB:P07711", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111383", "category": ["biolink:ProteinFamily"], "name": "Serotonin receptor 2a and 2c (5HT2A and 5HT2C)"}
{"id": "CHEMBL.TARGET:CHEMBL2111388", "category": ["biolink:ProteinFamily"], "name": "Beta-2 adrenergic receptor and beta-3 adrenergic receptor"}
{"id": "CHEMBL.TARGET:CHEMBL2111396", "category": ["biolink:ProteinFamily"], "name": "Cathepsin (B and K)"}
{"name": "Cathepsin B", "xref": ["CHEMBL.TARGET:CHEMBL4072"], "id": "UniProtKB:P07858", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111397", "category": ["biolink:ProteinFamily"], "name": "Melanocortin receptor (M4 and M5)"}
{"name": "Melanocortin receptor 5", "xref": ["CHEMBL.TARGET:CHEMBL4608"], "id": "UniProtKB:P33032", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL2111398", "category": ["biolink:ProteinFamily"], "name": "Serotonin receptor 2a and 2b (5HT2A and 5HT2B)"}
{"id": "CHEMBL.TARGET:CHEMBL2111400", "category": ["biolink:ProteinFamily"], "name": "Phosphodiesterase 3 and 5 (PDE3 and PDE5)"}
{"id": "CHEMBL.TARGET:CHEMBL2111401", "category": ["biolink:ProteinFamily"], "name": "Thrombin and coagulation factor X"}
{"id": "CHEMBL.TARGET:CHEMBL2111403", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptor A2a and A3"}
{"id": "CHEMBL.TARGET:CHEMBL2111405", "category": ["biolink:ProteinFamily"], "name": "Nitric-oxide synthase (endothelial and brain)"}
{"id": "CHEMBL.TARGET:CHEMBL2111406", "category": ["biolink:ProteinFamily"], "name": "Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)"}
{"id": "CHEMBL.TARGET:CHEMBL2111352", "category": ["biolink:ProteinFamily"], "name": "Muscarinic acetylcholine receptor M2 and M5"}
{"id": "CHEMBL.TARGET:CHEMBL2111361", "category": ["biolink:ProteinFamily"], "name": "Cathepsin (V and K)"}
{"name": "Cathepsin L2", "xref": ["CHEMBL.TARGET:CHEMBL3272"], "id": "UniProtKB:O60911", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3137265", "category": ["biolink:ProteinFamily"], "name": "HSP90 and hnRNPA2/B1"}
{"name": "Heterogeneous nuclear ribonucleoproteins A2/B1", "xref": ["CHEMBL.TARGET:CHEMBL3124741"], "id": "UniProtKB:P22626", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL3430875", "category": ["biolink:ProteinFamily"], "name": "Multidrug resistance protein 1/Multidrug resistance associated protein 1"}
{"id": "CHEMBL.TARGET:CHEMBL3430908", "category": ["biolink:ProteinFamily"], "name": "Aurora kinase B/Receptor-type tyrosine-protein kinase"}
{"id": "CHEMBL.TARGET:CHEMBL3706565", "category": ["biolink:ProteinFamily"], "name": "Liver X receptor (LXR alpha AND LXR beta)"}
{"id": "CHEMBL.TARGET:CHEMBL4106188", "category": ["biolink:ProteinFamily"], "name": "Melanin-concentrating hormone receptor 2/HERG"}
{"id": "CHEMBL.TARGET:CHEMBL4296621", "category": ["biolink:ProteinFamily"], "name": "Adenosine receptors; A2a & A2b"}
{"id": "CHEMBL.TARGET:CHEMBL4523958", "category": ["biolink:ProteinFamily"], "name": "5-HT1A/5-HT1F"}
{"id": "CHEMBL.TARGET:CHEMBL4523959", "category": ["biolink:ProteinFamily"], "name": "5-HT1B/5-HT1F"}
{"id": "CHEMBL.TARGET:CHEMBL4523960", "category": ["biolink:ProteinFamily"], "name": "5-HT1D/5-HT1F"}
{"id": "CHEMBL.TARGET:CHEMBL4523963", "category": ["biolink:ProteinFamily"], "name": "CDK4/CDK1"}
{"id": "CHEMBL.TARGET:CHEMBL4523964", "category": ["biolink:ProteinFamily"], "name": "COX-1/COX-2"}
{"id": "CHEMBL.TARGET:CHEMBL4523965", "category": ["biolink:ProteinFamily"], "name": "Cholecystokinin(CCK) A/B"}
{"id": "CHEMBL.TARGET:CHEMBL4523969", "category": ["biolink:ProteinFamily"], "name": "IKK2/IKK1"}
{"id": "CHEMBL.TARGET:CHEMBL4523970", "category": ["biolink:ProteinFamily"], "name": "MMP-2/MMP-13"}
{"id": "CHEMBL.TARGET:CHEMBL4523971", "category": ["biolink:ProteinFamily"], "name": "MMP-2/MMP-14"}
{"id": "CHEMBL.TARGET:CHEMBL4523972", "category": ["biolink:ProteinFamily"], "name": "MMP-2/MMP-9"}
{"id": "CHEMBL.TARGET:CHEMBL4523974", "category": ["biolink:ProteinFamily"], "name": "Melanocortin receptor 3/5"}
{"id": "CHEMBL.TARGET:CHEMBL4523978", "category": ["biolink:ProteinFamily"], "name": "Src/Lck kinase"}
{"id": "CHEMBL.TARGET:CHEMBL4523980", "category": ["biolink:ProteinFamily"], "name": "Vasopressin V1a/V2"}
{"id": "CHEMBL.TARGET:CHEMBL4523984", "category": ["biolink:ProteinFamily"], "name": "MMP-1/MMP-2"}
{"name": "Monocarboxylate transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL4360"], "id": "UniProtKB:P53985", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4802067", "category": ["biolink:ProteinFamily"], "name": "Monocarboxylate transporter 1/4"}
{"name": "Monocarboxylate transporter 4", "xref": ["CHEMBL.TARGET:CHEMBL2073663"], "id": "UniProtKB:O15427", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Monocarboxylate transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL2073704"], "id": "UniProtKB:O60669", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL4802068", "category": ["biolink:ProteinFamily"], "name": "Monocarboxylate transporter 2/3"}
{"name": "Monocarboxylate transporter 3", "xref": ["CHEMBL.TARGET:CHEMBL3308921"], "id": "UniProtKB:O95907", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.TARGET:CHEMBL5291941", "category": ["biolink:ProteinFamily"], "name": "BRD2/BRD9"}
{"id": "CHEMBL.TARGET:CHEMBL5291943", "category": ["biolink:ProteinFamily"], "name": "BRD3/BRD9"}
{"id": "CHEMBL.TARGET:CHEMBL5291944", "category": ["biolink:ProteinFamily"], "name": "BRD4/BRD9"}
{"id": "CHEMBL.TARGET:CHEMBL5291945", "category": ["biolink:ProteinFamily"], "name": "BRD7/BRD9"}
{"id": "CHEMBL.TARGET:CHEMBL5291946", "category": ["biolink:ProteinFamily"], "name": "BRD8/BRD9"}
{"name": "Bromodomain-containing protein 8", "xref": ["CHEMBL.TARGET:CHEMBL3588731"], "id": "UniProtKB:Q9H0E9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267476", "category": ["biolink:ChemicalEntity"], "name": "LINOLEIC ACID", "xref": ["InChIKey:OYHQOLUKZRVURQ-HZJYTTRNSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O"], "synonym": ["Linoleic acid", "9,12-linoleic acid", "C18:2 (n-6)", "Emersol 315", "Linoleate", "Linoleic acid", "Linolic acid", "Polylin 515", "Ronacare asc 3", "Unifac 6550", "FEMA NO. 3380, LINOLEIC ACID-", "NSC-281243", "Linoleic acid component of vitamin f"], "chembl_natural_product": true}
{"name": "Seed linoleate 13S-lipoxygenase-1", "xref": ["CHEMBL.TARGET:CHEMBL4586"], "id": "UniProtKB:P08170", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3847"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHHQYCSMTQAWIB-UHFFFAOYSA-N", "SMILES:OC(COc1cc(F)cc2c1OCCC2)CN1CCC2(CC1)OCc1c2ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15928", "category": ["biolink:ChemicalEntity"], "name": "GR-127935", "xref": ["InChIKey:YDBCEBYHYKAFRX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL107772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGMWMMMQOQDKT-WLHGVMLRSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)Oc2ccc(Cl)c(N3CCN(C)CC3)c2)CC1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCEYDGKRXQRJOJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc3ccc(OCCOc4ccc5[nH]cc(CCN)c5c4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGHABSNFJJPLNR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc3ccc(OCC(=O)Nc4ccc(NC(=O)COc5ccc6[nH]cc(CCN)c6c5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQFKNOCGMLKLQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(C(=O)COc5ccc6cccc(N7CCN(C)CC7)c6c5)CC4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNXYNWFSYYZAPJ-SFHVURJKSA-N", "SMILES:CN(C)[C@H]1CCc2c(cccc2-c2cccc3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNZLQLYBRIOLFZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCNCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL26998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXGJMSKWNBENU-CQSZACIVSA-N", "SMILES:CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL92221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDJCTAYFLKGEM-UHFFFAOYSA-N", "SMILES:Cc1c(NC2=NCCN2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL263881", "category": ["biolink:ChemicalEntity"], "name": "LYSERGIDE", "xref": ["InChIKey:VAYOSLLFUXYJDT-RDTXWAMCSA-N", "SMILES:CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"], "synonym": ["Lysergide", "Lisergida", "D-lsd", "Dextrolysergic acid diethylamide", "Lsd-25", "Lysergide", "N,n-diethyllysergamide", "LSD", "Lysergic acid diethylamide tartrate ci"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL277120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNICFCQJUVFULD-UHFFFAOYSA-N", "SMILES:c1ccc2c(N3CCNCC3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8165", "category": ["biolink:ChemicalEntity"], "name": "5-METHOXYTRYPTAMINE", "xref": ["InChIKey:JTEJPPKMYBDEMY-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCN)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL416526", "category": ["biolink:ChemicalEntity"], "name": "BUFOTENINE", "xref": ["InChIKey:VTTONGPRPXSUTJ-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2ccc(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL609675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZPWHQHIBURIH-INIZCTEOSA-N", "SMILES:Cc1[nH]c(C)c(-c2cccc3c2CC[C@H](N(C)C)C3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39", "category": ["biolink:ChemicalEntity"], "name": "SEROTONIN", "xref": ["InChIKey:QZAYGJVTTNCVMB-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c2ccc(O)cc12"], "synonym": ["Serotonin", "5-ht", "5-hydroxytryptamine", "Enteramine", "Serotonin", "Thrombotonin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL53690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYGGBSRDNYACG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFCBQUDPXMRJR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJIOYPSLPQCAL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIONRJFCDLKILS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Br)c3)ncnc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRLHWOFWUMHHIP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Br)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL296168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDDREUYBAHNSP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPWAVUDLFTENM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(N3CCc4ccc(Br)cc43)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLYVUTGQXNIQQG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFCGWOZJQMOOG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXLRVRIKQJRVCZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUBKQUPEREOGA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL31373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAARIUTYORWEV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQAIYVKPDMZOOX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQLTDUXGVCRBV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3cccc(C)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGSBJHMSOROSY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQXWBMAVBHAKP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHVDNUGMYNEUDS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL95", "category": ["biolink:ChemicalEntity"], "name": "TACRINE", "xref": ["InChIKey:YLJREFDVOIBQDA-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3ccccc13)CCCC2"], "synonym": ["Tacrine", "Tacrine", "Tacrine", "Tacrina", "Tacrine", "Tacrinal", "Tacrine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL94", "category": ["biolink:ChemicalEntity"], "name": "PHYSOSTIGMINE", "xref": ["InChIKey:PIJVFDBKTWXHHD-HIFRSBDPSA-N", "SMILES:CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C"], "synonym": ["Physostigmine", "Physostigmine", "(-)-physostigmine", "Cogmine", "Eserin", "Eserinum", "Physostigmine", "MCV-4484", "NSC-30782"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL335112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDKPVJHMBQMMC-UHFFFAOYSA-N", "SMILES:CN(C(=O)n1nc(-c2ccc(Cl)cc2)nc1SCC1CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL122664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDWKZHPZSTGOP-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N(OC(=O)c1ccccc1)S(=O)(=O)c1ccccc1"]}
{"name": "Aldehyde dehydrogenase 1A1", "xref": ["CHEMBL.TARGET:CHEMBL2931"], "id": "UniProtKB:P51647", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYBSWWLKXEDLB-UHFFFAOYSA-N", "SMILES:CC(=O)ON(C(C)=O)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYRJLTWCZFAIOI-UHFFFAOYSA-N", "SMILES:CC(=O)ON(C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXDDFUPQNEFFS-UHFFFAOYSA-N", "SMILES:N#CN(OC(=O)c1ccccc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKZRGPAFWZSQG-UHFFFAOYSA-N", "SMILES:CN(CCO)S(=O)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOODOTIAJCOLNB-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDXNLBMOKSQFK-VGLVWSMDSA-N", "SMILES:Cc1cc(O)c2c(c1)C(=O)c1cccc(O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291501", "category": ["biolink:ChemicalEntity"], "name": "RESVERATROL 4'-METHYL ETHER", "xref": ["InChIKey:IHVRWFJGOIWMGC-NSCUHMNNSA-N", "SMILES:COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL436380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAFCNVVXGHTCFQ-NIFFBRNCSA-N", "SMILES:COc1cc(O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c(C(C)=O)c(C)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMHDRYYFAYWEG-NSCUHMNNSA-N", "SMILES:COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL30327", "category": ["biolink:ChemicalEntity"], "name": "2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN", "xref": ["InChIKey:HGUFODBRKLSHSI-UHFFFAOYSA-N", "SMILES:Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31184", "category": ["biolink:ChemicalEntity"], "name": "BENZO[DEF]CHRYSENE", "xref": ["InChIKey:FMMWHPNWAFZXNH-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34"], "synonym": ["Benzo[a]-pyrene", "Benzo[a]pyrene", "Benzo[def]chrysene"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL26260", "category": ["biolink:ChemicalEntity"], "name": "BETA-NAPHTHOFLAVONE", "xref": ["InChIKey:OUGIDAPQYNCXRA-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL337730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHPRNKARHZGVNR-PZIDOUTJSA-N", "SMILES:C[C@]12CCC3C(CC[C@H]4Cc5oc(C(=O)C(F)(F)F)cc5C[C@]34C)C1CC[C@@H]2O"]}
{"name": "Androgen receptor", "xref": ["CHEMBL.TARGET:CHEMBL3072"], "id": "UniProtKB:P15207", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYMOIZWSXSTDF-PUVPIZKUSA-N", "SMILES:C[C@]12CCC3C(CC[C@H]4Cc5oc(C(=O)C6CCC6)cc5C[C@]34C)C1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGARJBGCNNCMBV-MGDNXUEESA-N", "SMILES:C#C[C@]1(O)CCC2C3CC[C@H]4Cc5oc(C(=O)C(C)C)cc5C[C@]4(C)C3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBWMCQAVWJVMD-OVNQCYAKSA-N", "SMILES:C#C[C@]1(O)CCC2C3CC[C@H]4Cc5oc(C(=O)C(F)(F)F)cc5C[C@]4(C)C3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWWLRVXSNPYSO-MGDNXUEESA-N", "SMILES:C#C[C@]1(O)CCC2C3CC[C@H]4Cc5oc(C(=O)C6CC6)cc5C[C@]4(C)C3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLKHRSCVXCUAHH-OJEKDALDSA-N", "SMILES:C=C[C@]1(O)CCC2C3CC[C@H]4Cc5oc(C(C)=O)cc5C[C@]4(C)C3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCMXBAGNWHQRAC-BDAAYFTRSA-N", "SMILES:CC(=O)c1cc2c(o1)C[C@@H]1CCC3C(CC[C@@]4(C)C3CC[C@@H]4O)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUEPTDAMYWMEOU-PVCLRFNFSA-N", "SMILES:CC(=O)c1cc2c(o1)C[C@@H]1CCC3C4CC[C@H](O)[C@@]4(C)CCC3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUUPOZVXUSJWCL-KEAKDBNXSA-N", "SMILES:CC(C)C(=O)c1cc2c(o1)C[C@@H]1CCC3C4CC[C@H](O)[C@@]4(C)CCC3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBPPMQCIORDCSY-OJEKDALDSA-N", "SMILES:CC[C@]1(O)CCC2C3CC[C@H]4Cc5oc(C(C)=O)cc5C[C@]4(C)C3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVLUEYBLPJFMD-OVNQCYAKSA-N", "SMILES:C#C[C@]1(O)CCC2C3CC[C@H]4Cc5oc(C(=O)C(Cl)(Cl)Cl)cc5C[C@]4(C)C3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVSLNNKQKJTRQW-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ccnc2cc(C(F)(F)F)ccc12"]}
{"name": "Histidine-rich protein PFHRP-II", "xref": ["CHEMBL.TARGET:CHEMBL1923"], "id": "UniProtKB:P05227", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL317364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGAAQMNLKYWSQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTPCORSQUAFUJH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ccnc2cc(I)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXOODVACANNJZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ccnc2cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOGNPVUAPDOMW-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ccnc2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL302614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAPARDHTDKREN-ZDUSSCGKSA-N", "SMILES:COCCOc1ccc(OC[C@@H](O)CNC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471", "category": ["biolink:ChemicalEntity"], "name": "SOTALOL", "xref": ["InChIKey:ZBMZVLHSJCTVON-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1"], "synonym": ["Sotalol", "Sotalol", "Sotalol", "Sotalol", "Darob mite", "Dl-sotalol", "Sotalol", "C07AA07"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL30816", "category": ["biolink:ChemicalEntity"], "name": "DICHLOROISOPROTERENOL", "xref": ["InChIKey:VKMGSWIFEHZQRS-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1ccc(Cl)c(Cl)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL293030", "category": ["biolink:ChemicalEntity"], "name": "BUNOLOL", "xref": ["InChIKey:IXHBTMCLRNMKHZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)COc1cccc2c1CCCC2=O"], "synonym": ["Bunolol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1437", "category": ["biolink:ChemicalEntity"], "name": "NOREPINEPHRINE", "xref": ["InChIKey:SFLSHLFXELFNJZ-QMMMGPOBSA-N", "SMILES:NC[C@H](O)c1ccc(O)c(O)c1"], "synonym": ["Norepinephrine", "Norepinephrine", "Norepinefrina", "Noradrenaline", "Norepinephrine", "(-)-noradrenaline", "Levarterenol", "Nor adrenalin", "Noradrenaline", "Norepinephrine", "R-norepinephrine", "NSC-757246"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL423", "category": ["biolink:ChemicalEntity"], "name": "BETAXOLOL", "xref": ["InChIKey:NWIUTZDMDHAVTP-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1"], "synonym": ["Betaxolol", "Betaxolol", "Betaxolol", "Betaxolol", "Betaxolol", "Betaxolol", "Kerledex", "ALO-140102 FREE BASE", "SL-7521210 FREE BASE", "Betoptic", "Betoptic susp"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL296035", "category": ["biolink:ChemicalEntity"], "name": "BUFURALOL", "xref": ["InChIKey:SSEBTPPFLLCUMN-UHFFFAOYSA-N", "SMILES:CCc1cccc2cc(C(O)CNC(C)(C)C)oc12"], "synonym": ["Bufuralol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL305380", "category": ["biolink:ChemicalEntity"], "name": "BUPRANOLOL", "xref": ["InChIKey:HQIRNZOQPUAHHV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1"], "synonym": ["Bupranolol", "Bupranolol", "Ophtorenin", "B 1312 FREE BASE", "B-1312 FREE BASE", "KL-255 FREE BASE"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL839", "category": ["biolink:ChemicalEntity"], "name": "CARTEOLOL", "xref": ["InChIKey:LWAFSWPYPHEXKX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2"], "synonym": ["Carteolol", "Carteolol", "Carteolol", "Carteolol", "Carteolol", "Carteolol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL434200", "category": ["biolink:ChemicalEntity"], "name": "TERTATOLOL", "xref": ["InChIKey:HTWFXPCUFWKXOP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)COc1cccc2c1SCCC2"], "synonym": ["Tertatolol", "Tertatolol", "Tertatolol", "Tertatolol hydrochloride", "Artexal", "Prenalex", "Tertatolol hydrochloride", "SE-2395", "Artex"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL645", "category": ["biolink:ChemicalEntity"], "name": "BISOPROLOL", "xref": ["InChIKey:VHYCDWMUTMEGQY-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1"], "synonym": ["Bisoprolol", "Bisoprolol", "Bisoprolol", "Bisoprolol", "Bisoprolol", "Bisoprolol", "CL 297,939", "EMD 33 512", "Bisoprolol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL642", "category": ["biolink:ChemicalEntity"], "name": "ACEBUTOLOL", "xref": ["InChIKey:GOEMGAFJFRBGGG-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1"], "synonym": ["Acebutolol", "Acebutolol", "Acebutolol", "Acebutolol", "Acebutolol", "C07AB04", "Acebutolol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL266195", "category": ["biolink:ChemicalEntity"], "name": "ALPRENOLOL", "xref": ["InChIKey:PAZJSJFMUHDSTF-UHFFFAOYSA-N", "SMILES:C=CCc1ccccc1OCC(O)CNC(C)C"], "synonym": ["Alprenolol", "Alprenolol", "Alprenolol", "NSC-759561"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL65774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTNSNXDLZHYDI-FQEVSTJZSA-N", "SMILES:COc1ccc(CCNC[C@H](O)COc2ccc(Cc3nc(C(C)=O)c[nH]3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGVVCVHIQBVOQ-IBGZPJMESA-N", "SMILES:COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)=O)c[nH]3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418134", "category": ["biolink:ChemicalEntity"], "name": "BUNITROLOL", "xref": ["InChIKey:VCVQSRCYSKKPBA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)COc1ccccc1C#N"], "synonym": ["Bunitrolol", "KO 1366", "KO-1366"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65717", "category": ["biolink:ChemicalEntity"], "name": "MEPINDOLOL", "xref": ["InChIKey:NXWGWUVGUSFQJC-UHFFFAOYSA-N", "SMILES:Cc1cc2c(OCC(O)CNC(C)C)cccc2[nH]1"], "synonym": ["Mepindolol", "Mepindolol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL10998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZOJHDSELRWFA-UHFFFAOYSA-N", "SMILES:COCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1"]}
{"name": "Beta-2 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL5414"], "id": "UniProtKB:Q8K4Z4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513389", "category": ["biolink:ChemicalEntity"], "name": "ZENIDOLOL", "xref": ["InChIKey:VFIDUCMKNJIJTO-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2"], "synonym": ["Zenidolol", "Zenidolol", "Zenidolol", "(+/-)-ICI-118551", "ICI-118,551", "ICI-118551"]}
{"id": "CHEMBL.COMPOUND:CHEMBL305153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKDPDQUXBBVRD-AWEZNQCLSA-N", "SMILES:CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL294723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBMSIZZTJEEIO-HNNXBMFYSA-N", "SMILES:CC(C)(C)NC[C@H](O)COc1cccc2c1CC1(CCCCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3142395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZJZHGYHRAAHO-DCSXIFCOSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)CN1CN(CCc2ccccc2)C2(CCN(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCCN)CC2)C1=O)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3142394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWOWDRQZOGKZNK-BNAYGLTLSA-N", "SMILES:C[C@H](NC(=O)CN1CN(CCc2ccccc2)C2(CCN(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCCN)CC2)C1=O)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3142390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKUWMVZMTPLQQG-OIFRRMEBSA-N", "SMILES:NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC2(CC1)CN(CC(=O)N[C@@H]1CSc3ccccc3N(CC(=O)O)C1=O)C(=O)N2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBPONYGQZTVKP-ZPPROKISSA-N", "SMILES:NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N(CC(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C1CCCCC1)Cc1ccccc1"]}
{"name": "B2 bradykinin receptor", "xref": ["CHEMBL.TARGET:CHEMBL2501"], "id": "UniProtKB:P25023", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3038098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUVWSMFTLHCHD-RMQYAMEJSA-N", "SMILES:NC(N)=NCCC[C@H](NC(=O)CN(CC1CCCCC1)C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3038097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCIRYMPBNQXIMO-OMXMSBDXSA-N", "SMILES:NC(N)=NCCC[C@H](NC(=O)[C@@H]1CC2CCCCC2N1C(=O)CN(CCc1ccccc1)C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSDGAXESPNWOE-RUPCYPOASA-N", "SMILES:CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)OC"]}
{"name": "Calpain small subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL2205"], "id": "UniProtKB:P04574", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWHESNORIZKIJ-AFEGWXKPSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL122708", "category": ["biolink:ChemicalEntity"], "name": "EMATE", "xref": ["InChIKey:RVKFQAJIXCZXQY-CBZIJGRNSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"name": "Sulfotransferase 2A1", "xref": ["CHEMBL.TARGET:CHEMBL2077"], "id": "UniProtKB:Q06520", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10118", "category": ["biolink:ChemicalEntity"], "name": "FAMOXADONE", "xref": ["InChIKey:PCCSBWNGDMYFCW-QFIPXVFZSA-N", "SMILES:C[C@@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O"], "chembl_natural_product": true}
{"name": "Cytochrome b-c1 complex subunit 9", "xref": ["CHEMBL.TARGET:CHEMBL2388"], "id": "UniProtKB:Q9UDW1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKFCNUCPHRFHS-KZRDDEGVSA-N", "SMILES:Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4cccc(N=C=S)c4)C[C@@]4(O)C(C2)N(CC2CC2)CCC314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLDMHBSVIVJPM-YZIHRLCOSA-N", "SMILES:C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL132182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYNXLVPFLCLOM-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1cc2n(c(=O)c1)Cc1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJHBCDJFVTJSY-UHFFFAOYSA-N", "SMILES:CCC1C(=O)OCc2c1cc1n(c2=O)Cc2ccccc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQFQPSFUBMPPU-UHFFFAOYSA-N", "SMILES:CCC1C(=O)OCc2c1c(C(=O)OC)c1n(c2=O)Cc2ccccc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL173037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPGFSRWFRHVMK-IXJBZROVSA-K", "SMILES:CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCC(=O)C(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+]"]}
{"name": "Dihydroxyacetone phosphate acyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4494"], "id": "UniProtKB:O15228", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL40290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSAFTUHMDVBMAD-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C1COc2c(SC)ccc(OC)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERSQIIOBKTUFP-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C1COc2c(Br)ccc(OC)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273273", "category": ["biolink:ChemicalEntity"], "name": "5-OH-DPAT", "xref": ["InChIKey:MDBWEQVKJDMEMK-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJKPENGZQFFKLK-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C1Cc2cccc(O)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2372915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJSQSJRSQVUENK-UWVGGRQHSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJQTHADLDMTRA-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAPOTFJKWYQFW-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMVEMHKBMNSJG-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(N)ncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQWLXXUXOPSDP-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(NC)ncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKBFAJQLEHSBTM-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(C)ncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQRADKKYACIIM-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2ncnc(OC)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDIIMEYIGWYMMA-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHDCGMWSBNKZBB-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2n[nH]cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXDNCXSBIMPXLA-UHFFFAOYSA-N", "SMILES:CN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(N)ncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNQGJBBMATVHDO-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(SC)ncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUOYSSGZLHUBKV-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(N(C)C)ncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWNJMHODRWLBPT-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCc2nc(C(C)(C)C)ncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQYELRKBALQJF-TZMCWYRMSA-N", "SMILES:CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL70565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOILXOMTHPUMRG-TZMCWYRMSA-N", "SMILES:CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQYELRKBALQJF-GXTWGEPZSA-N", "SMILES:CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJOTSCRNKRKED-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429617", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374104", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRKLYIRTAZLCBT-NOIWARKYSA-N", "SMILES:C[C@]12C[C@H](c3ccc(OCCOS(C)(=O)=O)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHONKVITDRPHNR-NPSPJNBXSA-N", "SMILES:C[C@]12C[C@H](c3ccc(OCCI)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQJBTJNBZIXXRR-KHQMGRTGSA-N", "SMILES:CN(CCCCCOc1ccc([C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@H]32)cc1)C(=O)CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZUXGHOWFPLRH-LFXLQIHESA-N", "SMILES:CN(CCOc1ccc([C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@H]32)cc1)C(=O)CBr"]}
{"name": "Steryl-sulfatase", "xref": ["CHEMBL.TARGET:CHEMBL3531"], "id": "UniProtKB:P15589", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2372365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKMCIFWZIUKLZ-GQVYTNTCSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHFGGXMUGXTIGY-QPJJXVBHSA-N", "SMILES:C/C(=C\\COP(=O)(O)OP(=O)(O)O)CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL37206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLIOOMJAWYWKCV-BSQWINAVSA-N", "SMILES:O[C@H]1[C@@H]2O[C@@H]2[C@H](O)C[C@@H]1O"]}
{"name": "Lysosomal acid glucosylceramidase", "xref": ["CHEMBL.TARGET:CHEMBL2278"], "id": "UniProtKB:P17439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL36848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIYWTJIYWNRVQU-PHYPRBDBSA-N", "SMILES:O[C@@H]1[C@@H](O)[C@H](O)C[C@@H]2O[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2372186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZKBMKXXAOYTC-MUCKPHLZSA-N", "SMILES:CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C12Cc3ccc(O)cc3C(C)(CCN1C)C2C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQAUWTYZPSDQCA-CLJLJLNGSA-N", "SMILES:O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHQWELHZNAQSQ-DNQXCXABSA-N", "SMILES:CCN1C(=O)N(C2CCN(Cc3ccc4ccccc4c3)CC2)[C@@H]2CCCC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTBQJOSUYUTOG-QZTJIDSGSA-N", "SMILES:O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEGKEQPSPQTHKK-HSJBNPAXSA-N", "SMILES:CCN1C(=O)N(C2CCN(C3CCC4CCCCC4C3)CC2)[C@@H]2CCCC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNSXGWNBPXSNGF-WOJBJXKFSA-N", "SMILES:CCN1C(=O)N(C2CCN(Cc3ccccc3)CC2)[C@@H]2CCCC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKXVXOGIUHXJZ-RTBURBONSA-N", "SMILES:O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCCCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHAXDNWFQCNEL-WOJBJXKFSA-N", "SMILES:O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL281322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDPRNHZNVZARD-IPNZSQQUSA-N", "SMILES:CCN1C(=O)N(C2CCN(C(C)CCC(C)C)CC2)[C@@H]2CCCC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCKMSSYGIADQR-NHCUHLMSSA-N", "SMILES:CCN1C(=O)N(C2CCN(C3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSKOVHIQMVZSF-SLMMIHQXSA-N", "SMILES:CCN1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)[C@@H]2CCCC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZDNGCVLQFLWCJ-FGZHOGPDSA-N", "SMILES:CCN1C(=O)N(C2CCN(CC3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTRYWQKIWBIDS-OTGCGEFBSA-N", "SMILES:CC(C)C1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVFJUGFEQYVYCP-ZVMPEUKOSA-N", "SMILES:O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCC3CCCCC3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDSJMBDSZDXNIO-HSFDIDPMSA-N", "SMILES:CC(C)CCC(C)N1CCC(N2C(=O)N[C@@H]3CCCC[C@H]32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNNKEQQXHHYJON-OTGCGEFBSA-N", "SMILES:CCCC1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRZFWGMWQFUQJR-UHFFFAOYSA-N", "SMILES:CCCc1cccc(OCCCc2c[nH]cn2)c1"]}
{"name": "Histamine H3 receptor", "xref": ["CHEMBL.TARGET:CHEMBL3263"], "id": "UniProtKB:P58406", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18661", "category": ["biolink:ChemicalEntity"], "name": "IMMEPIP", "xref": ["InChIKey:MCNGUYXRBCIGOV-UHFFFAOYSA-N", "SMILES:c1nc(CC2CCNCC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106612", "category": ["biolink:ChemicalEntity"], "name": "IMIFURAMINE", "xref": ["InChIKey:KWWHIDCVULQSFZ-HTRCEHHLSA-N", "SMILES:NC[C@H]1CC[C@H](c2c[nH]cn2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL417096", "category": ["biolink:ChemicalEntity"], "name": "IMPENTAMINE", "xref": ["InChIKey:MZCJWLAXZRFUPI-UHFFFAOYSA-N", "SMILES:NCCCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19439", "category": ["biolink:ChemicalEntity"], "name": "IMETIT", "xref": ["InChIKey:PEHSVUKQDJULKE-UHFFFAOYSA-N", "SMILES:N=C(N)SCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXLYSPKZUXSVKN-UHFFFAOYSA-N", "SMILES:N=C(N)CCCc1c[nH]cn1"], "synonym": ["SK&F-91606", "SK-91606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQIOISZPFVUFG-RXMQYKEDSA-N", "SMILES:C[C@@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLOJCNYYPGNYBP-RQJHMYQMSA-N", "SMILES:C[C@H]1NCC[C@@H]1c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTBYLNCJHFPRTL-RQJHMYQMSA-N", "SMILES:NCC[C@@H]1C[C@@H]1c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVNLVECYTMCMTN-UHFFFAOYSA-N", "SMILES:CC(NC(=O)OCCCc1c[nH]cn1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYXCISICOBRNIT-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=O)OCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDWZDWLOVWJLS-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)OCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYQHMUJBGCNCOY-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)OCCCc1c[nH]cn1"]}
{"name": "Histamine H3 receptor", "xref": ["CHEMBL.TARGET:CHEMBL4124"], "id": "UniProtKB:Q9QYN8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL110098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVNWOVCWRDXSL-UHFFFAOYSA-N", "SMILES:CC(C)(C)CCOCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZILNBNQXSUAOGP-UHFFFAOYSA-N", "SMILES:CC(C)CCOCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19010", "category": ["biolink:ChemicalEntity"], "name": "IODOPROXYFAN", "xref": ["InChIKey:DCQNAFOCXVCDLB-UHFFFAOYSA-N", "SMILES:Ic1ccc(COCCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKZWDKJUHANCP-LBPRGKRZSA-N", "SMILES:N[C@H](COCc1ccc(Br)cc1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKZWDKJUHANCP-GFCCVEGCSA-N", "SMILES:N[C@@H](COCc1ccc(Br)cc1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAIZALGZSSOISU-LBPRGKRZSA-N", "SMILES:N[C@H](COCC1CCCCC1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90", "category": ["biolink:ChemicalEntity"], "name": "HISTAMINE", "xref": ["InChIKey:NTYJJOPFIAHURM-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]cn1"], "synonym": ["Histamine", ".beta.-aminoethylglyoxaline", "Ergamine", "Ergotidine", "Histamine", "NSC-33792"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL19413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHLBBGYXSGYMU-LBPRGKRZSA-N", "SMILES:N[C@H](COCc1ccccc1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAIZALGZSSOISU-GFCCVEGCSA-N", "SMILES:N[C@@H](COCC1CCCCC1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIFESKAQUJMHF-UTONKHPSSA-N", "SMILES:NCCc1c[nH]cn1.N[C@@H](COCc1ccc(Br)cc1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIFESKAQUJMHF-YDALLXLXSA-N", "SMILES:NCCc1c[nH]cn1.N[C@H](COCc1ccc(Br)cc1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBCIEPGVUUYHQC-UTONKHPSSA-N", "SMILES:NCCc1c[nH]cn1.N[C@@H](COCc1ccc(I)cc1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHIRRZZPFUGWLH-YDALLXLXSA-N", "SMILES:NCCc1c[nH]cn1.N[C@H](COCc1ccccc1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNJHBNRZDPJHTO-UTONKHPSSA-N", "SMILES:NCCc1c[nH]cn1.N[C@@H](COCC1CCCCC1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHIRRZZPFUGWLH-UTONKHPSSA-N", "SMILES:NCCc1c[nH]cn1.N[C@@H](COCc1ccccc1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNJHBNRZDPJHTO-YDALLXLXSA-N", "SMILES:NCCc1c[nH]cn1.N[C@H](COCC1CCCCC1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBCIEPGVUUYHQC-YDALLXLXSA-N", "SMILES:NCCc1c[nH]cn1.N[C@H](COCc1ccc(I)cc1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFLBMYJSQZYLK-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]cn1.S=C(NC1CCCCC1)N1CCC(c2c[nH]cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGBGEMCPDIQQC-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c(Cc2ccccc2Cl)n1"]}
{"name": "Histamine H1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL3943"], "id": "UniProtKB:P31389", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZPLUUKMPYGIGT-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c(Cc2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPEUYHVHBFNBRP-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c(Cc2ccsc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRAAJWVMUWKXBW-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c(Cc2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNJIVKFVHIXIX-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c(-c2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHKKSDWHBRMOE-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c(Cc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZOWDSIYNRKFTR-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c(-c2ccccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVPBVYDEAMCED-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTWMPAVGHIMPTN-UHFFFAOYSA-N", "SMILES:CS/C(=N\\CCSCc1cc2ccccc2[nH]1)NC#N"]}
{"name": "Histamine H2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL2882"], "id": "UniProtKB:P47747", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKJOXBWULIZGV-UHFFFAOYSA-N", "SMILES:Cn1c2nc3ccccc3c-2cc2cc(I)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZYSTHPRYOULBE-UHFFFAOYSA-N", "SMILES:Cn1c2nc3ccccc3c-2cc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTOGEHDIKJPZHX-UHFFFAOYSA-N", "SMILES:CN1c2cc(C(F)(F)F)ccc2C=C2c3ccccc3NC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSGXLTVXZXDIA-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)cc1c3ccccc3nc-1n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDRHDENERCXZPS-UHFFFAOYSA-N", "SMILES:Cn1c2nc3ccc(C#N)cc3c-2cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL115585", "category": ["biolink:ChemicalEntity"], "name": "NEOCRYPTOLEPINE", "xref": ["InChIKey:PZIIKMBOSNKNFZ-UHFFFAOYSA-N", "SMILES:Cn1c2nc3ccccc3c-2cc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL119096", "category": ["biolink:ChemicalEntity"], "name": "CRYPTOLEPINE", "xref": ["InChIKey:KURWKDDWCJELSV-UHFFFAOYSA-N", "SMILES:C[n+]1c2ccccc2cc2[n-]c3ccccc3c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL119475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFJVQBSYMNGJNY-UHFFFAOYSA-N", "SMILES:Clc1ccc2[nH]c3nc4ccccc4c-3cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPGAGAYKWZKFCB-UHFFFAOYSA-N", "SMILES:Cn1c2nc3ccccc3c-2cc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHWJFBYJXSCKI-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)c2[nH]c3nc4ccccc4c-3cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNNWIBZAJKFWGU-UHFFFAOYSA-N", "SMILES:CN1c2cc(Br)ccc2C=C2c3ccccc3NC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOXDFJHFXQQFR-UHFFFAOYSA-N", "SMILES:Cn1c2nc3ccc(C#N)cc3c-2cc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWHNWWASBCTBP-UHFFFAOYSA-N", "SMILES:Cn1c2nc3ccccc3c-2cc2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINKMOKXWJWHAZ-UHFFFAOYSA-N", "SMILES:CN1c2cc(Cl)ccc2C=C2c3ccccc3NC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDCVQGNBJLVOZ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3nc4ccccc4c-3cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVOCXQUIZNWEMU-UHFFFAOYSA-N", "SMILES:c1ccc(CNCCc2c[nH]cn2)cc1"]}
{"name": "Histamine H2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL4654"], "id": "UniProtKB:P25102", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Histamine H3 receptor", "xref": ["CHEMBL.TARGET:CHEMBL5076"], "id": "UniProtKB:Q9JI35", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFCRTOCTWJDBT-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)OCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGCARVZTSWHUTP-UHFFFAOYSA-N", "SMILES:CC(C)COCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL96051", "category": ["biolink:ChemicalEntity"], "name": "SCRIPTAID", "xref": ["InChIKey:JTDYUFSDZATMKU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314389", "category": ["biolink:ChemicalEntity"], "name": "OXAMFLATIN", "xref": ["InChIKey:IVTKCTFTVKYWIQ-WEVVVXLNSA-N", "SMILES:O=C(/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99", "category": ["biolink:ChemicalEntity"], "name": "TRICHOSTATIN", "xref": ["InChIKey:RTKIYFITIVXBLE-QEQCGCAPSA-N", "SMILES:CC(/C=C/C(=O)NO)=C\\[C@@H](C)C(=O)c1ccc(N(C)C)cc1"], "synonym": ["Trichostatin(s)", "Trichostatin", "A-300-I", "ANTIBIOTIC A-300", "GNF-Pf-1011"], "chembl_natural_product": true}
{"name": "Interleukin-2", "xref": ["CHEMBL.TARGET:CHEMBL2466"], "id": "UniProtKB:P04351", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIOCUFNHMAXPG-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c(Nc3ccc(S(=O)(=O)C(CCO)CCO)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL353314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMOZAZLNDSFWAB-LWQDQPMZSA-N", "SMILES:O=C(O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc2C=C4)C=C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413552", "category": ["biolink:ChemicalEntity"], "name": "QUERCETAGETIN", "xref": ["InChIKey:ZVOLCUVKHLEPEV-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL79935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTRGVTXQWSLRW-DIMVKVHHSA-N", "SMILES:CCCCC(C)/C=C(\\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)CC([C@H](C)C=O)C(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL80259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPRNMQEBKCOCS-HOCCBPFXSA-N", "SMILES:C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/C(C)CCCC)CC[C@@H]2C(=O)ON[C@H](C(=O)OC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIXJDFDDMXCJCT-KIBVBBMMSA-N", "SMILES:C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/C(C)CCCC)CC[C@@H]2C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL80654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTRGVTXQWSLRW-UDEZFPSRSA-N", "SMILES:CCCCC(C)/C=C(\\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)CC([C@@H](C)C=O)C(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL80385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POSQDGKQUKPECC-MLHCJTIMSA-N", "SMILES:C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/C(C)CCCC)CC[C@@H]2C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/C(C)CCCC)C3=CC(=O)[C@H](C(=C)C=O)C[C@@]32C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL80568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFHPNAZHTGNJLW-VYIFVWSMSA-N", "SMILES:C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/C(C)CCCC)CC[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL421139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGVEVWRAQDYRR-VQHVLOKHSA-N", "SMILES:CCCCC(C)/C=C(\\C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL307070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCAGMRISHGRVDH-ZYWIBXDTSA-N", "SMILES:C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/C(C)CCCC)CC[C@@H]2C(=O)NCCNC(=O)[C@H]1CC[C@@H](OC(=O)/C(C)=C/C(C)CCCC)C2=CC(=O)[C@H](C(=C)C=O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL80419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPRNMQEBKCOCS-PQELOPTOSA-N", "SMILES:C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/C(C)CCCC)CC[C@@H]2C(=O)ON[C@@H](C(=O)OC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSVHWRQXAVPBV-JYJNAYRXSA-N", "SMILES:O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL318390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUUYHRKPCXZEOJ-LCYFTJDESA-N", "SMILES:O=C1Nc2ccc(-c3cccnc3)nc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNTXIMXKCURDC-YBEGLDIGSA-N", "SMILES:O=C1Nc2ccc(-c3cccnc3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQNQPZTVIHFSW-AUWJEWJLSA-N", "SMILES:O=C1Nc2cnc(-c3cccnc3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL356028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJZEMYDBLYKMK-UHFFFAOYSA-N", "SMILES:C=CCCN1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280481", "category": ["biolink:ChemicalEntity"], "name": "VERLUKAST", "xref": ["InChIKey:AXUZQJFHDNNPFG-LHAVAQOQSA-N", "SMILES:CN(C)C(=O)CCS[C@H](SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"], "synonym": ["Verlukast", "L-668,019", "L-668019", "MK-0679", "MK-679", "Verlukast"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15177", "category": ["biolink:ChemicalEntity"], "name": "MK-571", "xref": ["InChIKey:AXUZQJFHDNNPFG-UXBLZVDNSA-N", "SMILES:CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQXBQPMUFZNOHW-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIPKDRNYKMLLCS-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLUOLMBEQOSEC-UHFFFAOYSA-N", "SMILES:CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPADYLLRUQSKO-UHFFFAOYSA-N", "SMILES:CCC(=O)NCc1cc2c(OC)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDCGWOJLFRNME-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]c(CNC(C)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBFRVSIZCSSBS-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]c(CNC(=O)C3CCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEIIRBABRJKVLL-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(CCNC(C)=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFDXBHNBTYUMH-UHFFFAOYSA-N", "SMILES:COc1cccc2c1cc(CCNC(C)=O)n2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJMNBNCQYFEFY-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]c(CCNC(C)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKANAWZKQSCHLU-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(CCCNC(C)=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL123119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTZUXJMCXLTAG-UHFFFAOYSA-N", "SMILES:CCCCC(=O)n1c(OC)cc2c1=C(CN)C1CCCCC(C)C1C=2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULYFCVDSGGVQB-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCc1cc2c(OC)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYVSVRUORMKJQ-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCc1cc2c(OC)cccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVGNDSWLFVFADB-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(CCNC(C)=O)n(C)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL100104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAWFDXYDMQQZPT-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOVEPYOCJWRFC-UJLKTSCASA-N", "SMILES:N[C@@H](C(=O)O)C1C[C@@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL317969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIBDIGUMWQQJIJ-XHPANXIASA-N", "SMILES:CC(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"name": "Melanocortin receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4774"], "id": "UniProtKB:P33033", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBTXSQMCSFWPIM-BJMDFRDPSA-N", "SMILES:CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCCC1.Oc1ccc2c3c1OC1c4[nH]c5c(c4C[C@@]4(O)C(C2)N(CC2CC2)CCC314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3C1(CCN2CC1CC1)C5O4"]}
{"name": "Kappa opioid receptor", "synonym": ["Kappa-type opioid receptor"], "xref": ["CHEMBL.TARGET:CHEMBL3677"], "id": "UniProtKB:Q8WNX7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL289506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBAFPHMCLKQER-XAVQVODKSA-N", "SMILES:CC12CCC(=O)C=C1C1CC1C1C2C=CC2(C)C1CC[C@@]21CCC(=O)O1"]}
{"name": "Mineralocorticoid receptor", "xref": ["CHEMBL.TARGET:CHEMBL3507"], "id": "UniProtKB:P22199", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELNXQAOSSJCJU-KADYVCDDSA-N", "SMILES:CC12C=CC(=O)C=C1C=CC1C2C=CC2(C)C1C1CC1[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAOUCZIVZYSJER-RSPKNDIPSA-N", "SMILES:CC12C=CC(=O)C=C1CCC1C2C=CC2(C)C1CC[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRNBRKAVBLAEBQ-RSPKNDIPSA-N", "SMILES:CC12CCC(=O)C=C1CCC1C2C=CC2(C)C1CC[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMZNBEIFNGJHHR-IUEQLONDSA-N", "SMILES:CC12C=CC(=O)C=C1C[C@@H](SC(=O)c1ccccc1)C1C2C=CC2(C)C1CC[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL298082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJELSCHUTSHMDO-PJKOONHHSA-N", "SMILES:CC(=O)S[C@@H]1CC2=CC(=O)CCC2(C)C2C=CC3(C)C(CC[C@@]34CCC(=O)O4)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXUZDJJTWRUERN-AHNRVSMCSA-N", "SMILES:CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)C=CC2(C)C2C=CC3(C)C(CC[C@@]34CCC(=O)O4)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJXWXVIOTFJJLO-RSPKNDIPSA-N", "SMILES:CC12C=CC(=O)C=C1C=CC1C2C=CC2(C)C1CC[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOTWPPGMFPYRH-PJKOONHHSA-N", "SMILES:CC(=O)S[C@@H]1CC2=CC(=O)C=CC2(C)C2C=CC3(C)C(CC[C@@]34CCC(=O)O4)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFNPSQJLODDNK-TUNJXVKNSA-N", "SMILES:CC12C=CC(=O)C=C1C1CC1C1C2C=CC2(C)C1C1CC1[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWDJGGXTXWMPP-XQNABWLDSA-N", "SMILES:CC(=O)S[C@@H]1CC2=CC(=O)C=CC2(C)C2C=CC3(C)C(C4CC4[C@@]34CCC(=O)O4)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL416085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIGSELQVNWJCP-RSPKNDIPSA-N", "SMILES:CC12CCC(=O)C=C1C=CC1C2C=CC2(C)C1CC[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBBPMXKNCZEIK-CPUQRPBUSA-N", "SMILES:CC12C=CC(=O)C=C1[C@H]1C[C@H]1C1C2C=CC2(C)C1CC[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGGUJGRQLODPLU-AHNRVSMCSA-N", "SMILES:CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)CCC2(C)C2C=CC3(C)C(CC[C@@]34CCC(=O)O4)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBAFPHMCLKQER-CPUQRPBUSA-N", "SMILES:CC12CCC(=O)C=C1[C@H]1C[C@H]1C1C2C=CC2(C)C1CC[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBBPMXKNCZEIK-XAVQVODKSA-N", "SMILES:CC12C=CC(=O)C=C1C1CC1C1C2C=CC2(C)C1CC[C@@]21CCC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRQQSBLXMAXDIC-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCNc2nc3nc4c(c(=O)n(C)c(=O)n4C)n3cc2Br)CC1"]}
{"name": "5-hydroxytryptamine receptor 1A", "xref": ["CHEMBL.TARGET:CHEMBL3737"], "id": "UniProtKB:Q64264", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL195849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFILDWSJBSFAQ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5cccc(Cl)c5)CC4)c(Br)cn32)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZWTBDFTVDUSY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5ccccc5)CC4)c(Br)cn32)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQLALHPBJWYAP-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCNc2ccn3c(n2)nc2c3c(=O)n(C)c(=O)n2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYMISKALGRNPG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5cccc(Cl)c5)CC4)ccn32)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTZVVBDXMSRNH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5cccc(Cl)c5)CC4)c(Br)cn32)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNPOCHWUDXCHTJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNc2nc3nc4c(c(=O)n(C)c(=O)n4C)n3cc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAPRJDUUOBHNIG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5ccccc5)CC4)ccn32)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHJHVXMLMSZAN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5cccc(Cl)c5)CC4)ccn32)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXQLRQXQQAYSG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNc2ccn3c(n2)nc2c3c(=O)n(C)c(=O)n2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL195047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQOBVAPJLPYJD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3nc(NCCCN4CCN(c5ccccc5)CC4)c(Br)cn32)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNYNUGLNPQHPE-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3nc(NCCN4CCN(c5ccccc5)CC4)ccn32)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHXDJDWQQPSWHW-UHFFFAOYSA-N", "SMILES:CC(=O)OC1CC2CCCC1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSOCOBPTRIKAZ-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(O)c1cccc2nc(O)c(O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL543252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRYSHHISEVCRJV-UHFFFAOYSA-N", "SMILES:CCCNC(c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBOPVIWMYMFESR-YQDUUYOCSA-N", "SMILES:C[C@@H](NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZGNAZRWCBSBK-WFVOFKTRSA-N", "SMILES:C[C@H](NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBASFPGAJKZGV-UHFFFAOYSA-N", "SMILES:COC(=O)NC(c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEOATOPXFRBXIK-FVRDMJKUSA-N", "SMILES:O=P(O)(O)C(N[C@H]1CCc2ccccc21)c1cccc2nc(O)c(O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOZUJQGSHJMDSB-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Cc1cccc2nc(O)c(O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL543489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRUMCMSOKVFYJL-UHFFFAOYSA-N", "SMILES:Br.O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQJLJWGABWOSHH-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(NCCc1ccccc1)c1cccc2nc(O)c(O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBOPVIWMYMFESR-YOZOHBORSA-N", "SMILES:C[C@H](NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJEFKTCXLNVCHX-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(c1cccc2nc(O)c(O)nc12)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL536106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXHXJLIANMRPQ-UHFFFAOYSA-N", "SMILES:Br.CP(=O)(O)C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL536107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKHCOMWRNHPTSH-UHFFFAOYSA-N", "SMILES:Br.O=P(O)(O)C(NCc1ccccc1)c1cccc2nc(O)c(O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOZZGYMABSUDE-UHFFFAOYSA-N", "SMILES:CNC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTBHFNJYFXSJEB-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(Nc1ccccc1)c1cccc2nc(O)c(O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHNVYNMBZWQNB-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Cc1cc(-c2ccc(Cl)cc2)cc2nc(O)c(O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRWZGNJDPZADV-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)C(c1cccc2nc(O)c(O)nc12)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWROJMWCABTNDS-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(NC(c1ccccc1)c1ccccc1)c1cccc2nc(O)c(O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKXCFZRVHBZJS-SXWUCCAISA-N", "SMILES:C[C@H](NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHFUCVVNJHVGI-XRSWUUPYSA-N", "SMILES:CC(C)C[C@@H]1CN[C@@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1"]}
{"name": "Substance-K receptor", "xref": ["CHEMBL.TARGET:CHEMBL3433"], "id": "UniProtKB:P79218", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXURJOCZAIXFK-SECBINFHSA-N", "SMILES:CC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O"]}
{"name": "NS3", "synonym": ["Genome polyprotein"], "xref": ["CHEMBL.TARGET:CHEMBL1293269"], "id": "UniProtKB:A3EZJ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3052230"]}
{"id": "CHEMBL.COMPOUND:CHEMBL84385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTUIJSMDTYBOLW-JTQLQIEISA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTUIJSMDTYBOLW-SNVBAGLBSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL433633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYIONYOYVKKQI-UHFFFAOYSA-N", "SMILES:CC(NC(=O)C(CSC(=O)c1ccccc1)C(C)c1ccccc1)C(=O)O"]}
{"name": "Neprilysin", "xref": ["CHEMBL.TARGET:CHEMBL3369"], "id": "UniProtKB:P07861", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL110379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUNNNLPJQWHQNA-GJGLBJJNSA-N", "SMILES:CCCCC(c1cccc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJBQLUMKAYNAP-GJGLBJJNSA-N", "SMILES:CCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL327118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZJFJGZFMAHLID-FCHUYYIVSA-N", "SMILES:N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CITUWUCPAPAZQE-VXKWHMMOSA-N", "SMILES:N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL317479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAEAFMJGLPCGOT-FGZHOGPDSA-N", "SMILES:N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCN1C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL320804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJIMHAZVVWCGGD-JLMCIHFGSA-N", "SMILES:CCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAEAFMJGLPCGOT-VXKWHMMOSA-N", "SMILES:N[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHIHCJLIOJISG-FCHUYYIVSA-N", "SMILES:N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(F)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRBMJDRZZULRBX-GOTSBHOMSA-N", "SMILES:Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUUJWXLFHRQIRQ-VXKWHMMOSA-N", "SMILES:N[C@@H](c1cc(F)cc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJQPLYCAMQPAS-VXKWHMMOSA-N", "SMILES:N[C@@H](c1cccc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJBNEXUPHCOXDH-NRRUETGQSA-N", "SMILES:CCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYVYQSFRPHLGSU-ATTQYFOMSA-N", "SMILES:CCCCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIVIAMQRVRLGHV-GJGLBJJNSA-N", "SMILES:CCCCC(c1cc(F)cc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCJBVJVJPUGBT-RXJAJXMTSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573214", "category": ["biolink:ChemicalEntity"], "name": "NORBINALTORPHIMINE", "xref": ["InChIKey:APSUXPSYBJVPPS-YAUKWVCOSA-N", "SMILES:Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567175", "category": ["biolink:ChemicalEntity"], "name": "NALTRINDOLE", "xref": ["InChIKey:WIYUZYBFCWCCQJ-IFKAHUTRSA-N", "SMILES:Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSPBMZMOPAOOK-UKRMFAJRSA-N", "SMILES:CCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVNIBXTXVYCLEI-IFKAHUTRSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@@]3(O)[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGOLJCOJMGZAR-ILWKUFEGSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncccc2C[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNLHIJZMLLROK-RXJAJXMTSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMMCRYPQBNCPH-WMIMKTLMSA-N", "SMILES:CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL283287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKBYSTWCHUQOK-NDBXHCKUSA-N", "SMILES:CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYVJZQXUZSFCBU-OVNNNXKZSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)cc2C[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL95596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJRBGNXZAKXLL-NIHFJDDDSA-N", "SMILES:Oc1ccc2c3c1OC1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL318004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNKGLONSJXLHNY-HYXRUMHWSA-N", "SMILES:Oc1ccc2c3c1OC1c4[nH]c5cccc(OCc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL317298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSFSWVIFTITAGI-OBSSAXLPSA-N", "SMILES:Oc1ccc2c3c1OC1c4[nH]c5c(Oc6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXOYYGMYKUAUNP-HYXRUMHWSA-N", "SMILES:Oc1ccc2c3c1OC1c4[nH]c5c(OCc6ccccc6)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIJPQOCIDQTJR-DYZJZLFBSA-N", "SMILES:CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWWFZTYANOYXAV-NHHVUSELSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(N)C1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAARPNZJZZBXBY-ZLPQYYEYSA-N", "SMILES:CCCCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKVYRXMIRABJJO-DOSVXBPLSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NC(=O)CCc2ccccc2)C1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLUHBBPMGPGYMW-RXJAJXMTSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Br)cc4)cc2C[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMQBQNZSHDBDTL-IFKAHUTRSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSJJZSJQLXGBW-YCULYRLHSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4Cl)cc2C[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL610261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVDUHKCIPYGNZ-FQYQUSJJSA-N", "SMILES:Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL610262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSOFQIRSCHLMHR-MSQQPOPZSA-N", "SMILES:Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHRUGPRPLJFBFO-QYYRPYCUSA-N", "SMILES:[N-]=[N+]=N[C@H]1[C@@H](OP(=O)(O)O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O"]}
{"name": "P2Y purinoceptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5720"], "id": "UniProtKB:P49652", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9103"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSEINMYLIXDGQY-QYYRPYCUSA-N", "SMILES:[N-]=[N+]=N[C@H]1[C@@H](OP(=O)(O)O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2111533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSUREDDZAHDRQ-PHPBVZTRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL752", "category": ["biolink:ChemicalEntity"], "name": "ADENOSINE PHOSPHATE", "xref": ["InChIKey:UDMBCSSLTHHNCD-KQYNXXCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O"], "synonym": ["Adenosine phosphate", "Adenosine phosphate", "Phosphate d'adenosine", "Fosfato de adenosina", "5'-adenylic acid", "Adenosine 5'-monophosphoric acid", "Adenosine monophosphate (amp)", "Adenosine phosphate", "Vitamin b8", "A 5MP", "A-5MP", "NSC-20264", "Adenyl", "Adenosine phosphate", "5'-adenylic acid"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL108358", "category": ["biolink:ChemicalEntity"], "name": "TIAZOFURIN", "xref": ["InChIKey:FVRDYQYEVDDKCR-DBRKOABJSA-N", "SMILES:NC(=O)c1csc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1"], "synonym": ["Tiazofurine", "Tiazofurine", "Tiazofurina", "Riboxamide", "Tiazofurin", "CI-909", "NSC-286193", "Tiazofurin"], "chembl_natural_product": true}
{"name": "High affinity nerve growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL4220"], "id": "UniProtKB:P35739", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJAVNLLGOSYZBN-UHFFFAOYSA-N", "SMILES:NC(=O)c1csc(C2CC(CO)C2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL164635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZSUTRATHTTMW-NKILSJRUSA-N", "SMILES:CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C"]}
{"name": "Pepsin A", "xref": ["CHEMBL.TARGET:CHEMBL2714"], "id": "UniProtKB:P00791", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL348724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQYQVRLKCQSBAG-QKYIWSEVSA-N", "SMILES:CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL165690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFYDANKVUKCLT-XWUOBKMESA-N", "SMILES:CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL164716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQYQVRLKCQSBAG-QOVNPHLHSA-N", "SMILES:CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOFUZAKCVQZTH-CIEVZJJWSA-N", "SMILES:CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL165448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNUOOUZQYGIIA-CHLMOITFSA-N", "SMILES:CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)NCCC(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKUNJMCKBATEQU-MYKLWJCRSA-N", "SMILES:CCC(C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)NCCC(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZYVCVBMJXJTCW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)c1c(C(=O)O)n(CCCCCCCCCCCC)c2ccccc12"]}
{"name": "Platelet-activating factor acetylhydrolase", "xref": ["CHEMBL.TARGET:CHEMBL2441"], "id": "UniProtKB:Q28017", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTCHMBYVSMMFV-UHFFFAOYSA-N", "SMILES:CCN(CC)OC(=O)c1ccc(-n2c(C)ccc2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHOIKYGTSZDCLN-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2c(cc1O)CC(=O)C(C(c1ccccc1)C1COc3cc(O)c(CCCCCC)c(O)c3C1)=C2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL293031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCPINFBBTBQKOP-UHFFFAOYSA-N", "SMILES:O=C1C2=C(C(=O)c3ccccc31)C(O)(S(=O)(=O)O)C(O)(S(=O)(=O)O)C1N=CC=CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCURMANBEORIFL-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CN)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL416734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTGENHMRAAUFU-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCN)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATTYDXGJMUAEY-QZFRTWIZSA-N", "SMILES:Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL281793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUZUUFCXAEKFU-ZKMPZPQNSA-N", "SMILES:Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(C)(C)C(=O)O)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDDSVDLPHCADKM-LGXAAPQCSA-N", "SMILES:Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCCC(=O)O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQXCOMZVJDKMLZ-FEPAYDAFSA-N", "SMILES:Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@H](O)[C@@H](Cc2ccccc2)NC(=O)CC(C)(C)C(=O)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N=[N+]=[N-])CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBQRYBYKVEMJI-YSIASYRMSA-N", "SMILES:CC(C)(C)NC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(C)(C)C(=O)O)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJJTOYXLSGLJE-JKYMHQGASA-N", "SMILES:Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C(C)(C)CC(=O)N[C@H](Cc3ccccc3)[C@@H](O)C(=O)N3CSC(C)(C)[C@H]3C(=O)NC(C)(C)C)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2370197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHXAYPOBAWZUAP-IJYFBAFXSA-N", "SMILES:CCOC(=O)CNC(=O)[C@@H]1C(F)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJSCSINRWZQEK-HWXCNDKCSA-N", "SMILES:Cc1cn(CC(=O)N2C[C@H](N)C[C@H]2C(=O)NC2C[C@@H](C(=O)N[C@@H]3C[C@@H](C(=O)NC4C[C@@H](C(=O)N[C@@H]5C[C@@H](C(=O)NC6C[C@@H](C(=O)N[C@@H]7C[C@@H](C(=O)NC8C[C@@H](C(=O)N[C@@H](C)C(=O)O)N(C(=O)Cn9cc(C)c(=O)[nH]c9=O)C8)N(C(=O)Cn8cc(C)c(=O)[nH]c8=O)C7)N(C(=O)Cn7cc(C)c(=O)[nH]c7=O)C6)N(C(=O)Cn6cc(C)c(=O)[nH]c6=O)C5)N(C(=O)Cn5cc(C)c(=O)[nH]c5=O)C4)N(C(=O)Cn4cc(C)c(=O)[nH]c4=O)C3)N(C(=O)Cn3cc(C)c(=O)[nH]c3=O)C2)c(=O)[nH]c1=O"]}
{"name": "Granzyme K", "xref": ["CHEMBL.TARGET:CHEMBL4930"], "id": "UniProtKB:P49863", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNUMYBKKMOUEN-YULBZLBTSA-N", "SMILES:Cc1cn([C@@H]2C[C@@H](C(=O)NCC(=O)O)N(C(=O)CNC(=O)[C@@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)[C@@H](N)CCCCN)C2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJSCSINRWZQEK-CWYXPQAVSA-N", "SMILES:Cc1cn(CC(=O)N2C[C@@H](N)C[C@H]2C(=O)NC2C[C@@H](C(=O)N[C@H]3C[C@@H](C(=O)NC4C[C@@H](C(=O)N[C@H]5C[C@@H](C(=O)NC6C[C@@H](C(=O)N[C@H]7C[C@@H](C(=O)NC8C[C@@H](C(=O)N[C@@H](C)C(=O)O)N(C(=O)Cn9cc(C)c(=O)[nH]c9=O)C8)N(C(=O)Cn8cc(C)c(=O)[nH]c8=O)C7)N(C(=O)Cn7cc(C)c(=O)[nH]c7=O)C6)N(C(=O)Cn6cc(C)c(=O)[nH]c6=O)C5)N(C(=O)Cn5cc(C)c(=O)[nH]c5=O)C4)N(C(=O)Cn4cc(C)c(=O)[nH]c4=O)C3)N(C(=O)Cn3cc(C)c(=O)[nH]c3=O)C2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNUMYBKKMOUEN-JHOOBHPWSA-N", "SMILES:Cc1cn([C@H]2C[C@@H](C(=O)NCC(=O)O)N(C(=O)CNC(=O)[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)CNC(=O)[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)CN3C(=O)[C@@H](N)CCCCN)C2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL71595", "category": ["biolink:ChemicalEntity"], "name": "HYDROGEN PEROXIDE", "xref": ["InChIKey:MHAJPDPJQMAIIY-UHFFFAOYSA-N", "SMILES:OO"], "synonym": ["Hydrogen peroxide", "Hydrogen peroxide", "Hydrogen peroxide", "Hydrogen peroxide", "Hydrogen peroxide", "Hydrogen peroxide solution", "Hyrogen peroxide", "Oxydol", "A-101", "NSC-19892", "Crystacide", "Eskata", "Hioxyl", "Peroxyl"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL870", "category": ["biolink:ChemicalEntity"], "name": "ALENDRONIC ACID", "xref": ["InChIKey:OGSPWJRAVKPPFI-UHFFFAOYSA-N", "SMILES:NCCCC(O)(P(=O)(O)O)P(=O)(O)O"], "synonym": ["Alendronic acid", "Alendronic acid", "Alendronic acid", "Acide alendronique", "Acido alendronico", "Alendronic acid", "Alendronate", "Alendronic acid", "Binosto", "Fosamax"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL170893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCDSBPHPBGFCGE-UHFFFAOYSA-N", "SMILES:O=C1CC(=O)N(c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3144478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFIQIJKQDYQCN-RRKCRQDMSA-N", "SMILES:O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3144482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWLUZQMBHMEQRH-IVZWLZJFSA-N", "SMILES:CCCNc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL312536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKGMSISDQDPABX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c(=O)n1CCCCCn1ccnc1"]}
{"name": "Thromboxane-A synthase", "xref": ["CHEMBL.TARGET:CHEMBL4028"], "id": "UniProtKB:P49430", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUYVFRCZDOHKJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(Br)cc2c(=O)n1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUIOGTDXUVEXQG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTBYCGFWKJTPU-UHFFFAOYSA-N", "SMILES:CC(Cn1ccnc1)Cn1cnc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJNWWXEDFRWOJ-UHFFFAOYSA-N", "SMILES:CC(CNC(=O)c1ccc(Cl)cc1N)Cn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSBSICYRPHOFD-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nnn1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXQIAXDXLMKVIH-UHFFFAOYSA-N", "SMILES:Cl.O=c1c2ccccc2nnn1CCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL309960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIDMLUBNRHBFDM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBWJVMNHUULPIE-UHFFFAOYSA-N", "SMILES:CC(Cn1ccnc1)Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBEZJMCJDTWLQO-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2ncn1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWQVRNKYLGBUSI-UHFFFAOYSA-N", "SMILES:CC(CCn1cnc2ccc(Cl)cc2c1=O)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSKYCIPBKCHBI-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c(=O)n1CCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISJKBMVGWYLSG-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2ncn1CCCCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQWKMWSBWBVNV-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nnn1CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL308125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKMPRAZRNJNMH-UHFFFAOYSA-N", "SMILES:Nc1ccc(Br)cc1C(=O)NCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUMCOUVTHCYNW-UHFFFAOYSA-N", "SMILES:CC(CCn1c(=O)[nH]c2ccccc2c1=O)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYZLPJOGVNDCHW-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(=O)n(CCCCn3ccnc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQLIPSUMBUBGET-UHFFFAOYSA-N", "SMILES:Cl.O=c1c2ccc(Cl)cc2nnn1CCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWLFQJBTVRLEJV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUDTQWSRRBMNH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(Cl)ccc2c(=O)n1CCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPINZATWXVZPOH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(Cl)cccc2c(=O)n1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYIORFZFMGFTRQ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2ncn1CCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL306115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXWYCHVKZEQAH-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2nnn1CCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTMSTOXKOBHBO-UHFFFAOYSA-N", "SMILES:Cc1ccc(N)c(C(=O)NCCC(C)n2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTGUNSUTEHODLB-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(Cl)cc2c(=O)n1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBSAEVXGHYLBJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(=O)n(CCC(C)n3ccnc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDYKCXKQNGSWFN-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(Cl)cc2c(=O)n1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBZASBALQBLAFT-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(=O)n(CCCCCn3ccnc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGSSJWGUMEOJO-UHFFFAOYSA-N", "SMILES:CC(CCn1c(=O)[nH]c2ccc(Cl)cc2c1=O)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKNDLHCZITTOX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(Cl)ccc2c(=O)n1CCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSFKAILFIGLGA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1CCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFBQJGQJQNTRH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL311689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVNGPIQRSQXQA-UHFFFAOYSA-N", "SMILES:CC(CNC(=O)c1cc(Cl)ccc1N)Cn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPSIDPOWNLFAK-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Cl)cc2nnn1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IORURVLIPDEDNO-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cl)cc1C(=O)NCCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTLUXKSISCABLE-UHFFFAOYSA-N", "SMILES:CC(CCNC(=O)c1cc(Cl)ccc1N)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQGLEWSNFJJHL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(Cl)cccc2c(=O)n1CCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYZIDSBYRBCAJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2ncn(CCCCn3ccnc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOSWNOVGQALAHL-UHFFFAOYSA-N", "SMILES:CC(Cn1ccnc1)Cn1c(=O)[nH]c2c(C(F)(F)F)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLEBLJKJAJDPSQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIUOHISVQYNPFQ-UHFFFAOYSA-N", "SMILES:Cl.O=c1c2cc(Cl)ccc2nnn1CCCCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHKLPYHUMXACE-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(Cl)cccc2c(=O)n1CCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJUTHZGBUPAAS-UHFFFAOYSA-N", "SMILES:Nc1cc(Cl)ccc1C(=O)NCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL306083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSHYZIVQLGDII-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cl)cc1C(=O)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEYFULVMUUDACN-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2nnn1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITUAYMMBRIAMKG-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2ncn1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCMPOGACEAMLCC-UHFFFAOYSA-N", "SMILES:Cc1ccc2nnn(CCCCCn3ccnc3)c(=O)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXANBPAVDGKRDB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c(=O)n1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUPPTGSIFUHKOF-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cl)cc1C(=O)NCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWAZPNBIDHNYOO-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(Cl)ccc2c(=O)n1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSPPYOHUVONNE-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1CCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJZCOFOMFODPO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2ncn1CCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRKKMLDPPIEDMB-UHFFFAOYSA-N", "SMILES:Cl.O=c1c2cc(Br)ccc2nnn1CCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKVKAJPVPGALT-UHFFFAOYSA-N", "SMILES:Cc1ccc2nnn(CCCCn3ccnc3)c(=O)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SABMBAZNVDQMNB-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2ncn1CCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVWWAXTHKLDEB-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2nnn1CCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDNPXKHFYLYVFH-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cl)cc1C(=O)NCCCCCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSQSIAHNBUJIG-UHFFFAOYSA-N", "SMILES:CC(Cn1ccnc1)Cn1c(=O)[nH]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGRXSYAOLMIDU-UHFFFAOYSA-N", "SMILES:CC(CCn1c(=O)[nH]c2c(Cl)cccc2c1=O)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAXRYXHQXWPCI-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c([N+](=O)[O-])c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURIYYXYNQFDHS-UHFFFAOYSA-N", "SMILES:CCC(C)c1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL147357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVZGAZYMMLCZMT-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URABQLLGXDTBTM-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(CC3CCCCC3)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSSYRBBVBBVLG-UHFFFAOYSA-N", "SMILES:CCCCOCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPFLHVHHPLDDB-UHFFFAOYSA-N", "SMILES:COCCCCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUKSZHLQJXXJP-UHFFFAOYSA-N", "SMILES:COCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOXOSQQYDBELDI-UHFFFAOYSA-N", "SMILES:CCCCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVFKYZEMHDDRV-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(CC(=O)O)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZXWQRBPNXMVOG-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(C3CCCCC3)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNAKYVRUIDJTPK-UHFFFAOYSA-N", "SMILES:CCCCSCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSXNNODTVPGDN-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(O)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL348437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHLHQUKCLVDKQ-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(CCO)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQKUQLHLRQCTK-UHFFFAOYSA-N", "SMILES:Br.NC(Cc1cc(I)c(Oc2ccc(O)c(-c3ccc(O)cc3)c2)c(I)c1)C(=O)O.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVRLQFCQPSAOM-UHFFFAOYSA-N", "SMILES:CCOCCCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL348464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBHZYMFLRMHCJC-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(C(=O)c3ccccc3)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMLKBORVLKGHCO-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(CCc3ccccc3)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL357227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXUNMORVBQKHX-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(CCCCCO)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL346671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJZBLJLUXOJMDP-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXJWHCSEFZDDB-UHFFFAOYSA-N", "SMILES:CCCCCCCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTISSSXXCFONHD-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(F)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZHHZGWDIKSIH-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(CO)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDGJPMNPANCCT-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDCVADYFGNJFH-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(C=O)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATTVQSOELATBL-UHFFFAOYSA-N", "SMILES:NCCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDOKGJYLTUDDE-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(CCCCO)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL423404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTBOOCYQRDDKX-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOFGIZXGGJYHLW-ORBVJSQLSA-N", "SMILES:O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1cc(I)cc(C2(C(F)(F)F)N=N2)c1"]}
{"name": "Ryanodine receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL2133"], "id": "UniProtKB:E9PZQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISWGREPYHLFWTN-YSURURNPSA-N", "SMILES:[N-]=[N+]=Nc1cc(I)cc(CN2C(=O)CN(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWAOLWVQRCHKTN-UHFFFAOYSA-N", "SMILES:CCOCN1C(=O)NC(=O)C(C)C1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHBSHSAJDODTK-UHFFFAOYSA-N", "SMILES:CCN1c2ccccc2C2NC=C(C)C2c2ccc(OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXRAFOPTSTNLL-NKWVEPMBSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL69441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTCVKDVKBLADDH-UHFFFAOYSA-N", "SMILES:Nc1ccn(C2OC(CO)C(F)C2F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCHLAARWGPSAG-YLWLKBPMSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](CO)C=C2F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLWSQPYUSBXANQ-UHFFFAOYSA-N", "SMILES:OCC1CC(F)C(n2cnc3c(O)ncnc32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCNLKVXRALXMC-NSHDSACASA-N", "SMILES:CC(C)=CCN1Cc2cc(Cl)cc3[nH]c(=O)n(c23)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDCCBLBAQXNKP-VMHSAVOQSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](CO)C[C@@H]2F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2114462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEMFSMODRNJHE-BAJZRUMYSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCUWZOOXLWFNQ-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CC(F)C(COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL293498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCSLUNOLLUVOOG-NSHDSACASA-N", "SMILES:CC(C)=CCN1Cc2cc(Cl)cc3[nH]c(=S)n(c23)C[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2374387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBYPPXZXWBATG-QMMMGPOBSA-N", "SMILES:Cc1cn([C@@H]2C=CC(=O)CO2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105318", "category": ["biolink:ChemicalEntity"], "name": "ALOVUDINE", "xref": ["InChIKey:UXCAQJAQSWSNPQ-XLPZGREQSA-N", "SMILES:Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O"], "synonym": ["Alovudine", "Alovudina", "Alovudine", "CL 184,824", "CL 184824", "CL-184,824", "CL-184824", "MIV-310", "MIV310", "NSC-140025", "Alovudine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEJZGGFJHZQHRW-UHFFFAOYSA-N", "SMILES:CCc1cc(NCN2C(=O)c3ccccc3C2=O)c(O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2115278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOBICGOWICFMIX-POYBYMJQSA-N", "SMILES:Nc1ccn([C@H]2C=C[C@@H](CO)O2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1169499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKCKVHWBOKPQOR-BDAKNGLRSA-N", "SMILES:Cc1cn([C@@H]2C=CC(=O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1169496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKCKVHWBOKPQOR-RKDXNWHRSA-N", "SMILES:Cc1cn([C@H]2C=CC(=O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501916", "category": ["biolink:ChemicalEntity"], "name": "LODENOSINE", "xref": ["InChIKey:KBEMFSMODRNJHE-JFWOZONXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1F"], "synonym": ["Lodenosine", "Lodenosina", "F-DDA", "NSC-613792", "Lodenosine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLNYQHNVIIONM-UHFFFAOYSA-M", "SMILES:CC1OC(OCCOC2CC(CO)C(O)C(OCC(=O)[O-])C2O)C(O)C(O)C1O.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSDBOFYCSXKIQ-ZKWAXYAISA-N", "SMILES:COC1OC(C)C(O)(CC(=O)CCCOC2(C(=O)O)CC(O)C(NC(C)=O)C([C@@H](O)[C@H](O)CO)O2)C(O)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375586", "category": ["biolink:ChemicalEntity"], "name": "SIALYL LEWIS X", "xref": ["InChIKey:LAQPKDLYOBZWBT-NYLDSJSYSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](C=O)NC(C)=O)[C@H](O)CO)[C@@H]2O)(C(=O)O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL84355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAVNWVHRWHEXPJ-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCCNS(C)(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYKVQJUEQOLJRT-YSRCJMKQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C(Cc1ccc(C(=O)C(=O)C(=O)OC)cc1)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL288999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYXUZWMHLEFDB-RJZVVRIISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(C(=O)C(O)(O)C(=O)OC)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFEWTBGBFAWONP-IUILNNSISA-N", "SMILES:COC(=O)C(=O)C(=O)c1ccc(CC(NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBFWRWPTKXPAH-RJZVVRIISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cccc(C(=O)C(O)(O)C(=O)OC)c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYHCWDVIEIXIRX-UHFFFAOYSA-N", "SMILES:COC(=O)C(O)(O)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBSRSVHEOTHLD-UKRRQHHQSA-N", "SMILES:CN1C(=O)CC[C@]2(C)c3ccc(Cl)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24955", "category": ["biolink:ChemicalEntity"], "name": "BEXLOSTERIDE", "xref": ["InChIKey:WQBIOEFDDDEARX-CHWSQXEVSA-N", "SMILES:CN1C(=O)CC[C@@H]2c3ccc(Cl)cc3CC[C@H]21"], "synonym": ["Bexlosteride", "Bexlosterida", "LY-191704", "LY-300502", "LY300502", "Bexlosteride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWIBKWVUAHMKER-INIZCTEOSA-N", "SMILES:C[C@]12CCC(C(=O)O)=CC1=CCc1cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCVPJJOPUGFKAY-DXOHUOOHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O"]}
{"name": "Substance-P receptor", "xref": ["CHEMBL.TARGET:CHEMBL3942"], "id": "UniProtKB:P30547", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65", "category": ["biolink:ChemicalEntity"], "name": "CAMPTOTHECIN", "xref": ["InChIKey:VSJKWCGYPAHWDS-FQEVSTJZSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"], "synonym": ["Camptothecin", "Camptothecine", "Topotecan related compound c", "NSC-94600"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL292435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMXAKISPLJTOKV-VWMUTNEVSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O"]}
{"name": "Substance-K receptor", "xref": ["CHEMBL.TARGET:CHEMBL4554"], "id": "UniProtKB:P16610", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCSGKXUCZQZOB-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCc1cnccc1CNS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLJFXBLSUWHQF-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCc1cnccc1NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGJCNVQDUZNHR-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCc1cnccc1CCNS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL298009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEBSSBFIPXAASA-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCc1cnccc1CCNS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLXKRKZQQAXDM-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCc1cnccc1CCCNS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRUKVZHDOYFTJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCc1cnccc1CCCNS(=O)(=O)c1ccc(Cl)cc1"]}
{"name": "DNA polymerase I, thermostable", "xref": ["CHEMBL.TARGET:CHEMBL3564"], "id": "UniProtKB:P19821", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:271"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZYBZWHBZJCEHA-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1c(Br)[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c1CC(=O)O"]}
{"name": "Uroporphyrinogen-III synthase", "xref": ["CHEMBL.TARGET:CHEMBL4433"], "id": "UniProtKB:P10746", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEXTVYLTVJASKV-UHFFFAOYSA-N", "SMILES:N#Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c(CC(=O)O)c1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUNCFQQLIGXFGC-UHFFFAOYSA-N", "SMILES:CC(O)c1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC(=O)O)c4CC(=O)O)c(CCC(=O)O)c3CC(=O)O)c(CCC(=O)O)c2CC(=O)O)c(CCC(=O)O)c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNYIUCFKYJATB-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c(CC(=O)O)c1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVWASIBZSBHSMG-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2[nH]cc(CCC(=O)O)c2CC(=O)O)c(CCC(=O)O)c(CC(=O)O)c1Cc1[nH]c(Cc2[nH]c(CO)c(CC(=O)O)c2CCC(=O)O)c(CC(=O)O)c1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDRXEOWOSCELA-UHFFFAOYSA-N", "SMILES:Cn1cc(CCC(=O)O)c(CC(=O)O)c1Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(CO)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c(CC(=O)O)c1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFJYRZCZIUBPR-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1c[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c1CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL409063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHUWWIOWCVAPR-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1c[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CCC(=O)O)c2CC(=O)O)c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZIRDZBEMCELBE-UHFFFAOYSA-N", "SMILES:CCc1c[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLVTCMHSQJWOZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1c[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXAQMTGDFCJMLR-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1c(CC(=O)O)c[nH]c1Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(CO)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c(CC(=O)O)c1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLYUMPLHSJBPY-TUHVAHTNSA-N", "SMILES:CCOc1ccc(C[C@H]2NC(=O)CC(C)(C)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1"]}
{"name": "Vasopressin V2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL3944"], "id": "UniProtKB:P32307", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYQGNNBDGDYCE-DXBBTUNJSA-N", "SMILES:C=CCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCC)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZFVEAGZDIZWAT-WUJLRWPWSA-N", "SMILES:O=C(O)C1=C(Br)C(=O)[C@@H](O)[C@H](O)C1"]}
{"name": "3-dehydroquinate dehydratase", "xref": ["CHEMBL.TARGET:CHEMBL4709"], "id": "UniProtKB:P05194", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACFTCCQYFIKAF-UHFFFAOYSA-N", "SMILES:O=C1C(O)C(O)CC(O)(C(=O)O)C1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAECDEPMCVIYIR-UHFFFAOYSA-N", "SMILES:O=C1C(O)C(O)CC(O)(C(=O)O)C1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1159535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEFNSGRTCBGNAN-RQXATKFSSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3350120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJPOCNNFPYKTHF-ZTYVOHGWSA-N", "SMILES:CN1C(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL287757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVKUFSTYHMBIFX-UHFFFAOYSA-N", "SMILES:CCC(CCc1ccc(O)c(OC)c1)O/C(S)=N/CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL122413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAMDQKWNKKFHD-JXMROGBWSA-N", "SMILES:COc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBZOOZRAXHERC-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL177689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZKPMEGNDAUQES-OADCHERISA-N", "SMILES:C=C(C)[C@]12C[C@@H](C)[C@@]3(OCc4ccccc4)[C@@H](C=C(COC(=O)Cc4cc(OC)c(O)cc4I)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@H]1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZABEOCWCINDM-UHFFFAOYSA-N", "SMILES:COc1cc(C/N=C(\\S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL120735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJYEGJUQIBBQV-UHFFFAOYSA-N", "SMILES:CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQVNNCIURLIDB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccccc2)c1)Nc1c(Cl)ccc2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFSPKFUYYYKPTB-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCCC2CNC(=O)Nc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITVJFRBNBRMIH-ZSPLWUGXSA-N", "SMILES:C=C(C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCYHNCUTCOCVHX-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLAMFLAKXOXNJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(cc1-c1ccc(Cl)cc1)C(=O)C(N)C(S)=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGUAPYLUCHQGK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL173887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYTYHIBLLKXLZ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(c2ccc(C(F)(F)F)cn2)C1)Nc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391997", "category": ["biolink:ChemicalEntity"], "name": "CAPSAZEPINE", "xref": ["InChIKey:DRCMAZOSEIMCHM-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2068405", "category": ["biolink:ChemicalEntity"], "name": "RUTHENIUM RED"}
{"id": "CHEMBL.COMPOUND:CHEMBL408581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSOHSGIQKEXPA-XAEYSEGOSA-N", "SMILES:C=C(C)[C@]12C[C@@H](C)[C@@]3(OCc4ccccc4)[C@@H](C=C(COC(=O)Cc4cc(I)c(O)c(OC)c4)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@H]1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAORACFZMYMFCG-UHFFFAOYSA-N", "SMILES:CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75124", "category": ["biolink:ChemicalEntity"], "name": "NONIVAMIDE", "xref": ["InChIKey:RGOVYLWUIBMPGK-UHFFFAOYSA-N", "SMILES:CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1"], "synonym": ["Nonivamide", "Nonivamida", "Hansaplast", "Hydroxymethoxybenzyl pelargonamide", "N-vanillylnonamide", "Nonivamide", "Nonylic acid vanillyamide", "Pseudocapsaicin", "AH-23491X", "FEMA NO. 2787", "NSC-172795"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL367892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTOWLMLOPOFEIW-UHFFFAOYSA-N", "SMILES:COc1cc(C/N=C(\\S)NCc2ccc(Cl)cc2)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFLNNAMRBCAOL-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CN/C(S)=N/Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTGSPPMTACQBL-UHFFFAOYSA-N", "SMILES:O=C1CCC(O)=C1O"], "chembl_natural_product": true}
{"name": "Xanthine dehydrogenase/oxidase", "xref": ["CHEMBL.TARGET:CHEMBL3649"], "id": "UniProtKB:P80457", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOWBJJOJNGCAD-SHYZEUOFSA-N", "SMILES:O=c1nc(NO)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211312", "category": ["biolink:ChemicalEntity"], "name": "DEOXYURIDINE MONOPHOSPHATE", "xref": ["InChIKey:JSRLJPSBLDHEIO-SHYZEUOFSA-N", "SMILES:O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL394429", "category": ["biolink:ChemicalEntity"], "name": "THYMIDINE MONOPHOSPHATE", "xref": ["InChIKey:GYOZYWVXFNDGLU-XLPZGREQSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL65339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCUFURZWPZEOH-RBZQAINGSA-N", "SMILES:CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"name": "Melanocyte-stimulating hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL4077"], "id": "UniProtKB:Q01727", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCUFURZWPZEOH-KMDXXIMOSA-N", "SMILES:CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCUFURZWPZEOH-HJOGWXRNSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"name": "Melanocortin receptor 5", "xref": ["CHEMBL.TARGET:CHEMBL4489"], "id": "UniProtKB:P41149", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQNVXMPOKXKTHO-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKUZSJGLPOSLB-BOPFTXTBSA-N", "SMILES:O=C(O)CC1SC(N/N=C2/CCCc3ccccc32)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL420315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPEGWWFFVVCBFO-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(SCCc2ccccc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL122003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXBODIEJGPIKQ-UHFFFAOYSA-N", "SMILES:COc1ccc([N+](=O)[O-])cc1CSc1nnc(N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXHRVYBKTPIEMY-UHFFFAOYSA-N", "SMILES:Cc1nnc(O)nc1NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJPJUKYQGUSUOO-PXNMLYILSA-N", "SMILES:C/C(=N/Nc1ccc(C(=O)O)cc1)c1ccc(O)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGCGOBFROXOLJI-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCVHOEOKZMCDIN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1SCc1cc(O)nc(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZRBYOCWWJMJRZ-GZTJUZNOSA-N", "SMILES:CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLYAVHOIIDIDW-MTJSOVHGSA-N", "SMILES:Cc1ccc(NC(=O)CN2C(=O)S/C(=C\\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBJXXMXYJJDMBD-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nc3nnc(C)c-3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL115469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLNRWHLLLGBTM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2cccc3nsnc23)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWHMDHGCOCDCM-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccs1)c1cccnc1SCc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDLIFNJGGQWBX-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)Nc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKNFSPAYVEYDX-UHFFFAOYSA-N", "SMILES:Nc1nnc(SCc2ccc(C(=O)O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLUUIIDXMPFVCG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)O)cc1NC(=O)CCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL115974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVERRSKAAZYTCY-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFVQQHOYXWADM-UHFFFAOYSA-N", "SMILES:O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUHOWGXJSXQZBU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1SCCSc1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRUARRFWSABAB-HTAXBBIHSA-N", "SMILES:CC(C)OC(=O)/C(O)=C/C(=N/c1cccc(C(=O)O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFGZPWOHNSNBLT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2cncc(O)c2)cc1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTMWPWKQMWEBO-FNORWQNLSA-N", "SMILES:O=[N+]([O-])c1cc(Br)c(O)c(/C=C/c2ccc3cccc(O)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOVDCBUUHNOSP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEURKIVOHDGFCS-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZUDAQSSDLDGD-XSFVSMFZSA-N", "SMILES:O=C(O)c1cccc(/N=C2\\C(Cl)=C(O)OC2OC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIIPDMKCOMUWSD-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJMFBYNATMSQTP-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCCc2c[nH]c3ccccc23)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL441473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWVDNKBAIVNSLQ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJCWXVZXGOYFJC-PXLXIMEGSA-N", "SMILES:COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCPCFWCBDYWAI-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nsc(SCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNNIYYQDBWHDCQ-WEVVVXLNSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C\\c2ccc(F)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFYNADDZULBEJA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL331687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTUUVOUXZNQMSU-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cc1c[nH]cn1)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVUDTKUKQIBKB-ZCXLDBAHSA-N", "SMILES:N=C1S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27507", "category": ["biolink:ChemicalEntity"], "name": "ZAMIFENACIN", "xref": ["InChIKey:BDNFQGRSKSQXRI-XMMPIXPASA-N", "SMILES:c1ccc(C(O[C@@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1"], "synonym": ["Zamifenacin", "Zamifenacine", "Zamifenacina", "UK-76654-2 FREE BASE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76", "category": ["biolink:ChemicalEntity"], "name": "CHLOROQUINE", "xref": ["InChIKey:WHTVZRBIWZFKQO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12"], "synonym": ["Chloroquine", "Chloroquine", "Cloroquina", "Chloroquine", "Chloroquine", "NSC-187208"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL300409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZUDMFINCSTRL-QCYOSJOCSA-N", "SMILES:C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHDUPHUEYBLIM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C/N=C(\\S)NCc2ccc(NS(C)(=O)=O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL165272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWVSMWBHUXOVRR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C/N=C(\\S)NCc2ccc(NS(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIHZJDNFKFQMIZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C/N=C(\\S)NCc2ccc(NS(=O)(=O)CCN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1060", "category": ["biolink:ChemicalEntity"], "name": "SODIUM PHOSPHATE, DIBASIC, ANHYDROUS", "xref": ["InChIKey:BNIILDVGGAEEIG-UHFFFAOYSA-L", "SMILES:O=P([O-])([O-])O.[Na+].[Na+]"], "synonym": ["Sodium phosphate", "Sodium phosphate", "Sodium phosphate", "Sodium phosphate, dibasic anhydrous", "Sodium phosphate, dibasic, anhydrous", "Acetest", "Disodium acid phosphate", "Disodium phosphate", "Disodium phosphate, anhydrous", "Exsiccated sodium phosphate", "Secondary sodium phosphate", "Sodium monohydrogen phosphate", "Sodium orthophosphate", "Sodium phosphate", "Sodium phosphate dibasic", "Sodium phosphate, dibasic, anhydrous", "Sodium phosphate, unspecified", "E-339(II)", "FEMA NO. 2398", "INS NO.339(II)", "INS-339(II)", "Neutral sod phos", "Sodium phosphate component of navstel", "Sodium phosphate, dibasic, anhydrous component of osmoprep", "Sodium phosphate, dibasic, anhydrous component of visicol"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1368", "category": ["biolink:ChemicalEntity"], "name": "SODIUM PHOSPHATE, MONOBASIC", "xref": ["InChIKey:AJPJDKMHJJGVTQ-UHFFFAOYSA-M", "SMILES:O=P([O-])(O)O.[Na+]"], "synonym": ["E339", "Sodium phosphate, monobasic anhydrous", "Sodium phosphate, monobasic, anhydrous", "Sodium phosphate, monobasic, monohydrate", "Sodium phosphate, monobasic", "Monosodium phosphate", "Monosodium phosphate, anhydrous", "Sodium acid phosphate", "Sodium biphosphate", "Sodium biphosphate, anhydrous", "Sodium dihydrogen phosphate", "Sodium orthophosphate monobasic", "Sodium phosphate monobasic", "Sodium phosphate monobasic (anhydrous)", "Sodium phosphate, monobasic", "Sodium phosphate,monobasic", "Sodium primary phosphate", "E-339(I)", "INS NO.339(I)", "INS-339(I)", "Ionosol b", "Ionosol mb", "Ionosol t", "Sodium phosphate, monobasic, monohydrate component of osmoprep", "Sodium phosphate, monobasic, monohydrate component of visicol", "Monobasic sodium phosphate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL183491", "category": ["biolink:ChemicalEntity"], "name": "SODIUM FORMATE", "xref": ["InChIKey:HLBBKKJFGFRGMU-UHFFFAOYSA-M", "SMILES:O=C[O-].[Na+]"], "synonym": ["E237"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1354", "category": ["biolink:ChemicalEntity"], "name": "SODIUM ACETATE", "xref": ["InChIKey:VMHLLURERBWHNL-UHFFFAOYSA-M", "SMILES:CC(=O)[O-].[Na+]"], "synonym": ["Sodium acetate", "E262", "Sodium acetate", "Sodium acetate anhydrous", "Sodium acetate hydrate", "Sodium acetate", "Sodium acetate trihydrate", "Acetic acid, sodium salt (1:1)", "Sodium acetate", "Sodium acetate (3h2o)", "Sodium acetate trihydrate", "Sodium acetate, anhydrous", "Sodium acetate,anhydrous", "E-262(I)", "FEMA NO. 3024", "INS NO.262(I)", "INS-262(I)", "NSC-77459", "Sodium acetate component of procalamine", "Sodium acetate trihydrate"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL182928", "category": ["biolink:ChemicalEntity"], "name": "SODIUM OXALATE", "xref": ["InChIKey:ZNCPFRVNHGOPAG-UHFFFAOYSA-L", "SMILES:O=C([O-])C(=O)[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359504", "category": ["biolink:ChemicalEntity"], "name": "DISODIUM MALONATE", "xref": ["InChIKey:PRWXGRGLHYDWPS-UHFFFAOYSA-L", "SMILES:O=C([O-])CC(=O)[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181886", "category": ["biolink:ChemicalEntity"], "name": "PYRUVATE SODIUM", "xref": ["InChIKey:DAEPDZWVDSPTHF-UHFFFAOYSA-M", "SMILES:CC(=O)C(=O)[O-].[Na+]"], "synonym": ["Pyruvate sodium", "Sodium 2-oxo-propionate", "Sodium 2-oxopropanoate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1357", "category": ["biolink:ChemicalEntity"], "name": "SODIUM LACTATE", "xref": ["InChIKey:NGSFWBMYFKHRBD-UHFFFAOYSA-M", "SMILES:CC(O)C(=O)[O-].[Na+]"], "synonym": ["Sodium lactate", "E325", "Sodium lactate", "Compound solution of sodium lactate", "Solute de lactate de sodium compose", "Solucion de lactato sodico compuesta", "Sodium lactate", "Natrum lacticum", "Sodium (lactate) anhydrous", "Sodium dl-lactate", "Sodium lactate", "Sodium lactate solution", "E-325", "INS NO.325", "INS-325", "NSC-31718", "Sod lact co"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL182856", "category": ["biolink:ChemicalEntity"], "name": "E350", "xref": ["InChIKey:WPUMTJGUQUYPIV-UHFFFAOYSA-L", "SMILES:O=C([O-])CC(O)C(=O)[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1355", "category": ["biolink:ChemicalEntity"], "name": "SODIUM CITRATE", "xref": ["InChIKey:HRXKRNGNAMMEHJ-UHFFFAOYSA-K", "SMILES:O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]"], "synonym": ["Sodium citrate", "Sodium citrate", "E331", "Sodium citrate", "Sodium citrate", "Sodium citrate hydrate", "Sodium citrate", "Sodium citrate dihydrate", "Anhydrous sodium citrate", "Anhydrous trisodium citrate", "Citric acid, trisodium salt", "Citrosodine", "Natrii citras", "Natrii citras, dehydrate", "Natrocitral", "Sodium citrate", "Sodium citrate anhydrous", "Sodium citrate dihydrate", "Sodium citrate hydrous", "Sodium citrate, anhydrous", "Sodium citrate,anhydrous", "Trisodium citrate, anhydrous", "E-331(III)", "FEMA NO. 3026", "FEMA NO. 3026, ANHYDROUS-", "INS NO.331(III)", "INS-331(III)", "N-1560", "Canesten oasis", "Cymalon", "Cystemme", "Cystocalm", "Cystoleve", "Isolyte e", "Micolette", "Micralax", "Relaxit", "Sod cit", "Urisal", "Anticoagulant sodium citrate", "Sodium citrate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1356", "category": ["biolink:ChemicalEntity"], "name": "SODIUM BENZOATE", "xref": ["InChIKey:WXMKPNITSTVMEF-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccccc1.[Na+]"], "synonym": ["Sodium benzoate", "Sodium benzoate", "E211", "Sodium benzoate", "Sodium benzoate", "Sodium benzoate", "Sodium benzoate", "Antimol", "Fuminaru", "Microcare sb", "Purox s", "Sobenate", "Sodium benzoate", "E-211", "FEMA NO. 3025", "INS NO.211", "INS-211", "Amzoate", "Mthwsh", "Sodium benzoate component of ammonul", "Sodium benzoate component of ucephan", "Sodium benzoate", "Sodium benzoate"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL368444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZESSIGXSSUUGNU-UHFFFAOYSA-M", "SMILES:O=C([O-])c1c(F)c(F)cc(F)c1F.[Na+]"], "synonym": ["Sodium 2,3,5,6-Tetrafluoro-Benzoate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIZOMWEMOINAO-UHFFFAOYSA-N", "SMILES:CN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUIINAMRIGSKP-UHFFFAOYSA-N", "SMILES:CCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXVKHBBNTPULPQ-UHFFFAOYSA-N", "SMILES:CCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIYHTWFHJHKYFZ-UHFFFAOYSA-N", "SMILES:CCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DATDYVCOMLKOQI-UHFFFAOYSA-N", "SMILES:CCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL362029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEQVIIPGPTVQFG-UHFFFAOYSA-N", "SMILES:CCCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZVOZLCACKRNN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCLVGPYWQAJCAD-UHFFFAOYSA-N", "SMILES:CCCCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPRZCPOUWTRDM-UHFFFAOYSA-N", "SMILES:CCCCCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVJQYXEGLDZFW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595", "category": ["biolink:ChemicalEntity"], "name": "PIOGLITAZONE", "xref": ["InChIKey:HYAFETHFCAUJAY-UHFFFAOYSA-N", "SMILES:CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1"], "synonym": ["Pioglitazone", "Pioglitazone", "Pioglitazone", "Pioglitazona", "Pioglitazone", "Duetact", "Pioglitazone", "Zactos", "AD-4833", "U-72107"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL314055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWCYJDXBLJOMH-UHFFFAOYSA-N", "SMILES:O=C1Nc2cccc3c2C1(CCCCN1CCc2sccc2C1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL362354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUTYKNFWWQEFOI-HSZRJFAPSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)CC=C2)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOTITFQGTVUMBT-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2CCCN1CCN1CCC(n2c(O)nc3cc(F)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APEZAWGOFKUHCA-JOCHJYFZSA-N", "SMILES:Cc1cccc(C#N)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCYMVUMFVDONQB-YTTGMZPUSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@H](COP(=O)(O)O)Cc1ccc(OCc2ccccc2)cc1"]}
{"name": "Lysophosphatidic acid receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3724"], "id": "UniProtKB:Q9HBW0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQNKXUBAOWGSIA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C/N=C(\\S)Nc2ccc(NS(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SILNMLUBNWDOCT-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSAFTNAGTDWVPT-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL364844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUZUUOHCWKFDO-UHFFFAOYSA-N", "SMILES:COC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSNLQCMDVFQDA-UHFFFAOYSA-N", "SMILES:CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(=O)OC(C)(C)C)S3(=O)=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL364398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXLHDOOHWXDNZ-UHFFFAOYSA-N", "SMILES:CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL182967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSDSRWIVNZAJR-UHFFFAOYSA-N", "SMILES:CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCNS(C)(=O)=O)S3(=O)=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDCAWVGWRJLLP-UHFFFAOYSA-N", "SMILES:O=S1(=O)Nc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWRRUNGWGYWTLN-UHFFFAOYSA-N", "SMILES:CC(C)C1CCC(N2CCC(N3c4ccccc4NS3(=O)=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRTLZXPFXVSRKG-UHFFFAOYSA-N", "SMILES:CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGFPXWPVMTWSAE-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHUXLZANWVNPS-UHFFFAOYSA-N", "SMILES:CSc1cccc(C/N=C(\\S)NCc2ccc(C(C)(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQZQTXOCSDOETM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C/N=C(\\S)NCCc2ccc(NS(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWLOPDSPROHMLL-QJBMDLFOSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN"]}
{"name": "Nociceptin receptor", "xref": ["CHEMBL.TARGET:CHEMBL5492"], "id": "UniProtKB:P47748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPYUNRZUKADMX-FKPOJLNCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL263588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUWHHOFZDVFQX-INAFUKAMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULXKHKRQBXLOJ-WBMOPDPASA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONPEYBYZVADRG-OJQBRUKQSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDYPXARJCWSHOK-VCHJKMGOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"name": "Nociceptin receptor", "xref": ["CHEMBL.TARGET:CHEMBL3621"], "id": "UniProtKB:P35377", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJHWYSOCHFPDL-QKLSTMGWSA-N", "SMILES:Cc1cc(N2C(=O)[C@@H]3C4C=CC([C@H](O)[C@@H]4O)[C@@H]3C2=O)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBXUUQCPXNLGW-UGAPCYDPSA-N", "SMILES:O=C1[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYFLUTAMIDE", "xref": ["InChIKey:YPQLFJODEKMJEF-UHFFFAOYSA-N", "SMILES:CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"], "synonym": [".alpha.-hydroxyflutamide", "2-hydroxyflutamide", "Hydroxy-flutamide", "Hydroxyflutamide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOQRHVIGGSPFU-GHXBURCUSA-N", "SMILES:O=C1[C@@H]2C3CCC(C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFUHXOBHXPPDRQ-RQRATOPWSA-N", "SMILES:O=C1[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL369542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPIBWBIMTOFSKN-HHOBWZPDSA-N", "SMILES:O=C1[C@@H]2C3C=CC(CCC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL367375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUKMUMJCMCXDV-DSMFUCBJSA-N", "SMILES:O=C1[C@@H]2C3C=CC([C@H]4C[C@@H]34)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDGOIDIOAIBMA-JSHBZLHNSA-N", "SMILES:Cc1cc(N2C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C2=O)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCAMUVZQFDBSO-GHXBURCUSA-N", "SMILES:O=C1[C@@H]2C3C=CC(C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVEYONYTXWBBNX-GHXBURCUSA-N", "SMILES:O=C1[C@@H]2C3C=CC(C3)[C@@H]2C(=O)N1c1ccc(Br)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL182236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWADUGBVLWSTN-SUBVLCJKSA-N", "SMILES:Cc1cc(N2C(=O)[C@@H]3C4C=CC(C4)[C@@H]3C2=O)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIBYCPYZHPPQW-HEHVEWEESA-N", "SMILES:O=C1[C@@H]2C3C=CC(C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSFPXCHLDGJCF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1"]}
{"name": "C-X-C chemokine receptor type 3", "xref": ["CHEMBL.TARGET:CHEMBL4441"], "id": "UniProtKB:P49682", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHONXOSWPFCSGQ-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(CCN(C)C)c3c2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNTNUEYGURUYLJ-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYUJTOTNLYRGJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQHWSWXJVQQSQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDZROAIEYLMUAT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL369759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIRIEFKMLBIEPD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJLYOTHQZJNIQC-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2cccc3c2cc(C)n3CCN(C)C)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTDBBVCBHXBBX-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2c(NS(=O)(=O)c3cccc4ccccc34)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKHHHGMJZHICL-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECZPOPHZKGIII-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZOLLQLIKRYDDF-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL353739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCOMLBLPLOGHW-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOLMWLXGSECNR-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2n1CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDLGKEUGSQRZSW-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2n1CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOVUNBGTDTVMGP-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2n1CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYXYXDOAMGMGFK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXGGGTRPIRGIEN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYXPBVGIKNZEZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL367088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOOWDQCUBAWIJN-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2c(ccn2CCN2CCCC2)c1)c1c(Cl)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL367305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGJFPLLFDBSMA-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2c(ccn2CCN2CCCCC2)c1)c1c(Cl)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLMWOXAKQHRWJX-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVQSNFOQUEEEC-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2ccc3ccn(CCN4CCCC4)c3c2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZZZXKUCQZYPBH-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIFXQNAOTAZMDH-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEFBMXPPPGAQL-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCc1cccc2ccccc12)Nc1ccc2ccn(CCN3CCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXLAVRQPAXCGQ-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(CN(C)C)c3c2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOIQBABUMXSCPC-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQQPLDCWAKIGB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMWFJTOJCAGXKR-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL367867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLYOGTUYWWVTN-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PREWUSRAKQXGHO-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(CCN4CCOCC4)c3c2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRZEOAUFXLXPG-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQVMAJQCWHEMNR-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQKFQFVOESWCRV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODWHIXZDXJUBK-UHFFFAOYSA-N", "SMILES:O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2csc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL354417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGARBTWYNUXYBQ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1N(C1CCN(S(=O)(=O)c3csc4ccccc34)CC1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYXFZFUUWYFQO-UHFFFAOYSA-N", "SMILES:O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL433979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQOGVGNMAYDRNH-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4ccccc34)CC1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXGTMPIVRHRAG-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4c(N(C)C)cccc34)CC1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGHKJBJOGXPNK-UHFFFAOYSA-N", "SMILES:O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQHYACPHPIYGQQ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4cccnc34)CC1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZNWSVEHSSSBT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(S(=O)(=O)N2CCC(N3C(=O)OCc4cccc(C)c43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL362063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIZCPRJWQBHCO-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSDVPWNSLONFH-UHFFFAOYSA-N", "SMILES:CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL367481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZBVYAUADUFLE-UHFFFAOYSA-N", "SMILES:CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5c(Cl)cccc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLKJGGUSYHRQW-UHFFFAOYSA-N", "SMILES:CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOIWOMIOVRDSRT-UHFFFAOYSA-N", "SMILES:CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIMQNVKUDPTFZ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBOTEUDTOUGQK-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL367832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHSVTQPJGFBVJP-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1c(Cl)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL579981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVDXFRDHYGZQO-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2ccc3ccn(CCN(C)C)c3c2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL362628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZAXUKVIIWUIOM-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIFGXFJFKMSNKU-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNSQPAQKREKCT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4c(Cl)cccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBEDVKUOBOOQJR-UHFFFAOYSA-N", "SMILES:CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSVKAAIGVWZQY-UHFFFAOYSA-N", "SMILES:CCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHDVQKJVBJXDDG-UHFFFAOYSA-N", "SMILES:CCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGZEHKSXXYSGV-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(CCN4CCCC4)c3c2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJUEGBQBBZAGT-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL95104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEGMGDYIJDZJCI-OAQYLSRUSA-N", "SMILES:O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVAOXOUHEUIPDH-UHFFFAOYSA-N", "SMILES:CCCCn1cc(CCN(C)C)c2c(OP(=O)(O)O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL194588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJMKVPZBCHYHD-UHFFFAOYSA-N", "SMILES:CN(C)Cc1c[nH]c2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZRFEIDRWKTKJ-UHFFFAOYSA-N", "SMILES:CN(C)CCc1cn(C)c2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVOYRIYIBILDHN-UHFFFAOYSA-N", "SMILES:CCCCn1cc(CCN(C)C)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWWSHKYTXQPPO-FQEVSTJZSA-N", "SMILES:CC[C@@]1(F)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQJVQSSKIPELOQ-PLSULTGPSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](CS)[C@@H](C)O"]}
{"name": "Sortase A", "synonym": ["Sortase"], "xref": ["CHEMBL.TARGET:CHEMBL5362"], "id": "UniProtKB:Q9S446", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORPOXYDGNODOR-ZKIDJSGLSA-N", "SMILES:C[C@@H](O)[C@@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1"]}
{"name": "Sortase B", "xref": ["CHEMBL.TARGET:CHEMBL3329"], "id": "UniProtKB:Q2FZE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFDEBVFTXMLPP-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLBBCSPRJHXIF-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ccccc56)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXNUVHZNVXYVDN-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5ccc6ccccc6n5)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNIIEOMYFXARQU-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5ncnc6ccccc56)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBLUNCHMMWNHV-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6cccnc56)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPEPNFOQCGMXGQ-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ccncc56)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPOTSMIGABABC-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6cnccc56)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDKHAYSBQKAJRQ-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ncccc56)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHFUNSVBJAYHP-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5ccnc6ccccc56)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBUHKNMTZCDMF-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5cncc6ccccc56)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNACHWYMQYDBPA-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ccsc56)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZHXJUBRPSNHMZ-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6c5OCC6)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKHJNVUYRXMGC-UHFFFAOYSA-N", "SMILES:COc1ccc2ccccc2c1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBAATZNHXISDKX-UHFFFAOYSA-N", "SMILES:COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGGSJVILXJSING-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSXHCXUYOMDHEJ-UHFFFAOYSA-N", "SMILES:COc1c(Cl)cccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMMSURIMGYFRS-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVUPOHSYLLDPPV-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQMNWSMVVMWOMS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(N2CCN(CCn3cnc4sc5c(c4c3=O)CCN(C)C5)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUFUXHUZGWJII-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDXDUERQAFAILI-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5OCc5ccccc5)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKZCDYQNWTXAOV-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5Oc5ccccc5)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUZHFAQAJYRLS-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5OCC(C)(C)C)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUCRUSFOVGPMOS-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREWUHPTJYJHEV-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5C#N)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUCJGZCXQWDKNF-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5Cl)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMGOZBEOGRHCQ-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5-c5ccccc5)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSWXEACORUGRU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZLPONMALCRDP-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncn(CCN4CCN(c5nccc6ccccc56)CC4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL78779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJZMAUBKRKIVPH-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccc(F)cc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL80837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTOORPZUALMLMT-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)c(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZYMNJGOZIGDMD-LMRHVHIWSA-N", "SMILES:Cl.[N-]=[N+]=Nc1cc(O)c(C(=O)NCCNC(=O)CN2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL535381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKBNKWTDVVXIO-LDXVYITESA-N", "SMILES:Cl.[N-]=[N+]=Nc1ccc(C(=O)NCCNC(=O)CN2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JERCAYCPOIAGQN-IDVLALEDSA-N", "SMILES:Cl.[N-]=[N+]=Nc1ccc(C(=O)NCCNC(=O)CN2CC[C@@H](NC(=O)[C@@H]3CCCN3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL536054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLYUVFOBFOFGOX-OLNVGVAHSA-N", "SMILES:Cl.[N-]=[N+]=Nc1ccc(C(=O)N[C@H]2CN[C@H](C(=O)N[C@@H]3CCN(CC(N)=O)C3=O)C2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIRGPIBNSMEHPY-NNNATCHMSA-N", "SMILES:Cl.[N-]=[N+]=Nc1ccc(C(=O)N[C@H]2CN[C@H](C(=O)N[C@@H]3CCN(CC(N)=O)C3=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGSRWONNRSYSCD-VHQKBUGESA-N", "SMILES:Cl.[N-]=[N+]=Nc1cc(O)c(C(=O)N[C@@H]2CN[C@H](C(=O)N[C@@H]3CCN(CC(N)=O)C3=O)C2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLYUVFOBFOFGOX-QSXPGGQMSA-N", "SMILES:Cl.[N-]=[N+]=Nc1ccc(C(=O)N[C@@H]2CN[C@H](C(=O)N[C@@H]3CCN(CC(N)=O)C3=O)C2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL535830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIRGPIBNSMEHPY-VDTKTRGNSA-N", "SMILES:Cl.[N-]=[N+]=Nc1ccc(C(=O)N[C@@H]2CN[C@H](C(=O)N[C@@H]3CCN(CC(N)=O)C3=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWBLKZLMFUGNO-WUKRARGESA-N", "SMILES:CC(=O)O[C@@]1([C@@H]2/C(C)=C(/O)C(=O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc5ccccc5c4)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCO"]}
{"name": "Cell division protein FtsZ", "xref": ["CHEMBL.TARGET:CHEMBL4213"], "id": "UniProtKB:P9WN95", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJYPYPLMEXNDLG-LOBQYUGYSA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)N(C)C)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc5ccccc5c4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZYXVVGEWCXONF-UHFFFAOYSA-N", "SMILES:c1cc2c(cc1CC1CO1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHAOKYJQOWSMJY-MHPIHPPYSA-N", "SMILES:COc1cc2c(cc1OC)N(C(=O)OCc1ccc(OC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)[C@@H](O)[C@@H]1CCCN1C2=O"]}
{"name": "Carboxypeptidase G2", "xref": ["CHEMBL.TARGET:CHEMBL5040"], "id": "UniProtKB:Q9I056", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKOBWRZODXLSH-YYNFEOSQSA-N", "SMILES:COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1CCC[C@H]1[C@H](O)N3C(=O)OCc1ccc(OC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N(C(=O)OCc1ccc(OC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)[C@@H](O)[C@@H]1CCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL306786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKUFNLVYPRJLGU-XAOCBTQESA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)CC3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUGRUYNAPBDGDB-AVSUKOOESA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)C(=O)CC3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDOYLWKJXBKBV-ABSZOUAASA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@]2(C)CC[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSDRDKBEVJVCAJ-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]ccc2C2=NCCc3n[nH]c1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL381470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIPOGMHHGKFAG-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCC1OCC(COP(=O)([O-])O)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNAXGFXPWIGJD-IETPPXJMSA-M", "SMILES:CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@@H](COP([O-])(O)=S)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLLOSDMHARKBM-IETPPXJMSA-M", "SMILES:CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@@H](COP(=O)([O-])O)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNAXGFXPWIGJD-SCACHBFTSA-M", "SMILES:CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@@H](COP([O-])(O)=S)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLLOSDMHARKBM-SCACHBFTSA-M", "SMILES:CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@@H](COP(=O)([O-])O)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNAXGFXPWIGJD-XHYZWKIJSA-M", "SMILES:CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@H](COP([O-])(O)=S)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLLOSDMHARKBM-XHYZWKIJSA-M", "SMILES:CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@H](COP(=O)([O-])O)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNAXGFXPWIGJD-OCRCMMMQSA-M", "SMILES:CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@H](COP([O-])(O)=S)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLLOSDMHARKBM-OCRCMMMQSA-M", "SMILES:CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@H](COP(=O)([O-])O)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDAYFVWUVKKAV-UHFFFAOYSA-M", "SMILES:CCCCCCCCc1ccc(CCCCCCC2OCC(COP([O-])(O)=S)O2)cc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBLVPAFODDZAX-UHFFFAOYSA-M", "SMILES:CCCCCCCCc1ccc(CCCCCCC2OCC(COP(=O)([O-])O)O2)cc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHWIQKBTLTBHF-BJCCUALNSA-M", "SMILES:C/C=C/C/C=C/C/C=C/CCCCCCCCC1OCC(COP(=O)([O-])O)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNAXGFXPWIGJD-HRNDJLQDSA-M", "SMILES:CCCCCCC/C=C/CCCCCCCCC1OCC(COP([O-])(O)=S)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLLOSDMHARKBM-HRNDJLQDSA-M", "SMILES:CCCCCCC/C=C/CCCCCCCCC1OCC(COP(=O)([O-])O)O1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL58033", "category": ["biolink:ChemicalEntity"], "name": "(-)-U-50488", "xref": ["InChIKey:VQLPLYSROCPWFF-ROUUACIJSA-N", "SMILES:CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLUTYDCNNSXFHZ-NFPFDFKCSA-N", "SMILES:O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRGFLVMMWWNDC-JEDFLWLISA-N", "SMILES:O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFOYDSKVKJZEN-OXGMEHGPSA-N", "SMILES:CN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCCC6[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNRYHDKBHDCJAD-ZTYOUPSCSA-N", "SMILES:O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMXWHIOMHIBJP-LARLNUDWSA-N", "SMILES:O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAHBDPWIXMBTRC-QQXLIOKXSA-N", "SMILES:O=C(O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL381750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMSLPWMQABBNIP-SYTGOYKNSA-N", "SMILES:O=C(/C=C/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL369919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPVQMCQVPCFYJK-LHQHLCNUSA-N", "SMILES:O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49269", "category": ["biolink:ChemicalEntity"], "name": "CYCLORPHAN", "xref": ["InChIKey:NLBUEDSBXVNAPB-DFQSSKMNSA-N", "SMILES:Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301160", "category": ["biolink:ChemicalEntity"], "name": "BUTORPHAN", "xref": ["InChIKey:YSTAPDGDOHWKQR-CEWLAPEOSA-N", "SMILES:Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38874", "category": ["biolink:ChemicalEntity"], "name": "DAMGO", "xref": ["InChIKey:HPZJMUBDEAMBFI-WTNAPCKOSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL380922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOQTTQGXSENKL-DIPNUNPCSA-N", "SMILES:COc1ccc(N(C(=O)CN2C(=O)[C@@H](NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXSYORWCBQRQM-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccccc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIFMWPHYILJXFS-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL381560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUKPDQSSXDAABM-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROASQEPZAKGACK-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccccc2)N(c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEMCDXCXSVPAAB-UHFFFAOYSA-N", "SMILES:O=c1c(C2=Nc3ccccc3S(=O)(=O)N2)c(O)c2cc(F)ccc2n1CCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKXCLMAVSEKHS-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(OCCN2CCCCC2)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHYFDYUPUPHUDP-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1c(C(=O)OC)c2c3c(oc2c2ccccc12)C(=O)c1ccccc1C3=O"]}
{"name": "Squalene monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL3592"], "id": "UniProtKB:Q14534", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEHTXUBGUDGCNQ-GKICQFKZSA-N", "SMILES:CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@@H](OC(C)=O)C(=C1C)C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL372351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCINICONZNJXQF-LOQTUHTGSA-N", "SMILES:CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL306601", "category": ["biolink:ChemicalEntity"], "name": "TAXOL C", "xref": ["InChIKey:BEHTXUBGUDGCNQ-IEAAAIHOSA-N", "SMILES:CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL40275", "category": ["biolink:ChemicalEntity"], "name": "ALOE-EMODIN", "xref": ["InChIKey:YDQWDHRMZQUTBA-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL203986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLXQEKNJMCXRS-IBGZPJMESA-N", "SMILES:CCCCCCCCOC[C@@H](COP(=O)(O)O)OCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCCQSPJUXGEHV-LJQANCHMSA-N", "SMILES:CCCCCCCCOC[C@H](COP(O)(O)=S)OCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCCQSPJUXGEHV-IBGZPJMESA-N", "SMILES:CCCCCCCCOC[C@@H](COP(O)(O)=S)OCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLXQEKNJMCXRS-LJQANCHMSA-N", "SMILES:CCCCCCCCOC[C@H](COP(=O)(O)O)OCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514138", "category": ["biolink:ChemicalEntity"], "name": "CGS-27023A", "xref": ["InChIKey:ZVYIZSNCEAHMCF-UNTBIKODSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO)C(C)C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7162", "category": ["biolink:ChemicalEntity"], "name": "NS-398", "xref": ["InChIKey:KTDZCOWXCWUPEO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL202474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZZBZBCVURIYPE-UHFFFAOYSA-N", "SMILES:CCC(CC)Oc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POALVOOQIHGQKI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKBOVSNUGNAUHR-VAWYXSNFSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1cnn(Cc2ccccc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTUEVOKTCNLNR-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"name": "Malonyl-CoA decarboxylase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4698"], "id": "UniProtKB:O95822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEEBEBPDOXAGIJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWRXJHZTJSGIRS-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIUUGGFSCPOJHW-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBRWFOVCUAONR-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL289298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTNCWZNNOAYJB-UHFFFAOYSA-N", "SMILES:CSc1nc(N2CCCCC2)c2cnn(CC(Cl)c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL289125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXUDJFLTXEABV-UHFFFAOYSA-N", "SMILES:CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL288280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRYGLOHNGHJHFM-UHFFFAOYSA-N", "SMILES:CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWOWGJITRMUOK-RAXLEYEMSA-N", "SMILES:C(=C\\n1ncc2c(N3CCCCCC3)ncnc21)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL381278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXRVDIGGMSMGQ-NTMALXAHSA-N", "SMILES:CCCNc1ncnc2c1cnn2/C=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIIKNMAPWOLEED-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(SCC)nc2c1cnn2CC(Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL162783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNVLFNWDGWACV-UHFFFAOYSA-N", "SMILES:CC1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)C(C)C6=O)c(O)cc(O)c3c(O)c2C(=O)C1C"], "chembl_natural_product": true}
{"name": "Serine/threonine protein phosphatase PP2B-alpha catalytic subunit", "synonym": ["Serine/threonine-protein phosphatase 2B catalytic subunit beta isoform"], "xref": ["CHEMBL.TARGET:CHEMBL5278"], "id": "UniProtKB:P16298", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCICUPZZLIQAPA-XPWFQUROSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2029001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPBXJIFKOMFPJE-CSMIRWGRSA-N", "SMILES:BP(=O)(OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIMACDRJUANHTJ-XPWFQUROSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2028999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHCOQXGCCKLOT-JJCYRVQFSA-N", "SMILES:BP(=O)(OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLMMQBSNXZHCP-YQNAEXRPSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@H](CSC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGKVRVUNBAQEJ-HLVVBUIYSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@H](CSC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFNXJOMZDNQPQ-NZRWKNPMSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@H](CSC[C@H](NC(=O)CCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTSBRADNRQVFRV-NRNPVHEPSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(=O)NCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJXXGDJUIZCQGG-HLVVBUIYSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@H](CS(=O)(=O)C[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIPNEEJSQIJYCR-GJVCJYKCSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@H](C[S+]([O-])C[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOWHZUAUZNFBT-KEJDKSQUSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](CSC[C@@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOWHZUAUZNFBT-DHVFQMQMSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOWHZUAUZNFBT-ROBDFGABSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](NC(=O)CCCCCCCCCCCCC)C(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOWHZUAUZNFBT-IURAFAQNSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLMMQBSNXZHCP-MSMJAZRBSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@@H](CSC[C@@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLMMQBSNXZHCP-AVHYADCESA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@H](CSC[C@@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLMMQBSNXZHCP-XLXYLRRASA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@@H](CSC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVSQMCFTZOPFFY-ISDCXPDMSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(=O)NCCCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPMQCXOQPUWISE-ZQNJFQKJSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(=O)NCCCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWORMVBNYIKPG-NRNPVHEPSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@H](CSC[C@H](NC(=O)CCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLOFIRDSUOWWGC-LNZSLCJFSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@H](CSC[C@H](NC(=O)CCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLERAXXCXWVTOS-IURAFAQNSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)[C@H](CSC[C@H](NC(=O)CCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISHWMYSORYSYLG-RQCIILOKSA-N", "SMILES:CCCCCCCCCCCCCCCCCCNC(=O)[C@H](CSC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBSCALJPIZJIK-WXSZVNKCSA-N", "SMILES:CCCCCCCCCCCCCCNC(=O)[C@H](CSC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXSFCPVXGCHEKP-NZRWKNPMSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(=O)NCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQEYLVRVGMPHNM-SRVXJXHBSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(=O)NCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203014", "category": ["biolink:ChemicalEntity"], "name": "TRIPHENYLBISMUTHINE"}
{"name": "Urease", "xref": ["CHEMBL.TARGET:CHEMBL4161"], "id": "UniProtKB:P07374", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204002", "category": ["biolink:ChemicalEntity"], "name": "difluorotris(2,4,6-trimethylphenyl)bismuthane"}
{"id": "CHEMBL.COMPOUND:CHEMBL206326", "category": ["biolink:ChemicalEntity"], "name": "4-[bis(4-cyanophenyl)difluorobismuthanyl]benzonitrile"}
{"id": "CHEMBL.COMPOUND:CHEMBL203890", "category": ["biolink:ChemicalEntity"], "name": "ethyl 4-{bis[4-(ethoxycarbonyl)phenyl]difluorobismuthanyl}benzoate"}
{"id": "CHEMBL.COMPOUND:CHEMBL203889", "category": ["biolink:ChemicalEntity"], "name": "difluorotris[4-(trifluoromethyl)phenyl]bismuthane"}
{"id": "CHEMBL.COMPOUND:CHEMBL203327", "category": ["biolink:ChemicalEntity"], "name": "difluorotris(4-methylphenyl)bismuthane"}
{"id": "CHEMBL.COMPOUND:CHEMBL381175", "category": ["biolink:ChemicalEntity"], "name": "difluorotris(4-fluorophenyl)bismuthane"}
{"id": "CHEMBL.COMPOUND:CHEMBL383519", "category": ["biolink:ChemicalEntity"], "name": "DIFLUOROTRIPHENYLBISMUTHANE"}
{"id": "CHEMBL.COMPOUND:CHEMBL382571", "category": ["biolink:ChemicalEntity"], "name": "tris(4-fluorophenyl)bismuth dichloride"}
{"id": "CHEMBL.COMPOUND:CHEMBL382888", "category": ["biolink:ChemicalEntity"], "name": "TRIMESITYLBISMUTHINE"}
{"id": "CHEMBL.COMPOUND:CHEMBL379695", "category": ["biolink:ChemicalEntity"], "name": "4-[bis(4-cyanophenyl)bismuthanyl]benzonitrile"}
{"id": "CHEMBL.COMPOUND:CHEMBL380428", "category": ["biolink:ChemicalEntity"], "name": "ethyl 4-{bis[4-(ethoxycarbonyl)phenyl]bismuthanyl}benzoate"}
{"id": "CHEMBL.COMPOUND:CHEMBL204108", "category": ["biolink:ChemicalEntity"], "name": "tris(4-(trifluoromethyl)phenyl)bismuthine"}
{"id": "CHEMBL.COMPOUND:CHEMBL203584", "category": ["biolink:ChemicalEntity"], "name": "trip-tolylbismuthine"}
{"id": "CHEMBL.COMPOUND:CHEMBL203015", "category": ["biolink:ChemicalEntity"], "name": "tris(4-fluorophenyl)bismuthine"}
{"id": "CHEMBL.COMPOUND:CHEMBL204883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTSRZPGVQKOFFF-IGHKPKNTSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNILNJHVHCOVFU-DUEUCFDNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(C)O)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDWJQKYAHEPMF-JDOXGFRHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVBWVUZXJFGFP-XFXCTGMDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)c1ccccc1)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEPJUNYIGZQROD-YBSOJNAPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(C)(C)C)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYLLWVNXHDSOBP-XIIWGJLCSA-N", "SMILES:CC(C)C[C@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZYOTXUVHBKSM-YBSOJNAPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(C)C)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZYOTXUVHBKSM-WRWPVUBQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(C)C)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYSDUNWXRUGZRO-WZPYTOSHSA-N", "SMILES:CCC[C@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUVYAAEXDXAHP-PEUWERNUSA-N", "SMILES:CC[C@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHEDBTSELMBNTN-GOADRSPRSA-N", "SMILES:CC(C)C[C@H](NC(=O)C(C)(C)NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSYDMMPAZVEHMK-LIGNXBQPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCOC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZAABIFUPTQRO-UHFFFAOYSA-N", "SMILES:c1nc(CCCCNC2CCCC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJTKHTWGWXGNME-UHFFFAOYSA-N", "SMILES:c1nc(CCCCNC2CCCCC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEAGVVCSVDNICD-UHFFFAOYSA-N", "SMILES:Clc1ccc(CNCCCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACLGXVERVGAJK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+](CCCCCCC[n+]2ccc(/C=N/O)cc2)cc1.[Br-].[Br-]"]}
{"name": "Acetylcholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL3198"], "id": "UniProtKB:P21836", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL381614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMASXLQXTYGZHG-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc[n+](CCCCCCC[n+]2ccc(/C=N/O)cc2)c1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZOWWVYCGRTNE-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCCCCCC[n+]2ccc(/C=N/O)cc2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGDLYABGFCQLB-CTWCOEIASA-N", "SMILES:NC(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)O[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNESXKIPTICLME-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2cc3cc(O)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNESXKIPTICLME-BJUDXGSMSA-N", "SMILES:[11CH3]Nc1ccc(-c2cc3cc(O)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL208472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQSKQGGQDUBLNS-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"name": "Peroxisome proliferator-activated receptor gamma", "xref": ["CHEMBL.TARGET:CHEMBL2459"], "id": "UniProtKB:P37238", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDJOQVVSPLVIDN-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(-c3ccccc3)c3nc(C4CCCC4)nc-3[nH]2)cc1"], "synonym": ["LUF-5962"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKKQPCDRVUEPM-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2[nH]c(-c3ccccc3)nc(-c3ccccc3)c-2n1"], "synonym": ["LUF-5956"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOVKVCGZDERPK-TXEJJXNPSA-N", "SMILES:N#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC1(CO)CCCC1"]}
{"name": "Dipeptidyl peptidase 4", "xref": ["CHEMBL.TARGET:CHEMBL3883"], "id": "UniProtKB:P28843", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMIWWQLOGNYHD-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cc(O)ccc2[nH]1)c1cc2cc(O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNNCAUNEIPNZAQ-UHFFFAOYSA-N", "SMILES:Cc1cccc2[nH]c(C(=O)c3cc4cc(O)ccc4[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVGJGHFHPWZAV-UXHICEINSA-N", "SMILES:CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARHFBRDYSZBIN-QHAWAJNXSA-N", "SMILES:O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARHFBRDYSZBIN-PCCBWWKXSA-N", "SMILES:O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNLKZOCFPXHKNV-SIKLNZKXSA-N", "SMILES:O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)c(F)c4)n3)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFEFCBPHVVPEHI-SIKLNZKXSA-N", "SMILES:O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4F)n3)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSLZRLZTPLAGI-XZOQPEGZSA-N", "SMILES:O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBXXPLHWMZIKW-VXKWHMMOSA-N", "SMILES:CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBXXPLHWMZIKW-FCHUYYIVSA-N", "SMILES:CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJSQQBATFXLXQC-SFTDATJTSA-N", "SMILES:CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJSQQBATFXLXQC-LEWJYISDSA-N", "SMILES:CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVGJGHFHPWZAV-PMACEKPBSA-N", "SMILES:CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCJCBLGJQBYFKW-CQSZACIVSA-N", "SMILES:Cc1cccc(N2CC[C@@H](NC(=O)Nc3ccccc3Br)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL208964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXKMGMUURSVQM-BBRMVZONSA-N", "SMILES:O=C([C@@H]1CN[C@H](C(=O)N2CCCC2)C1)N1Cc2ccc(Cl)cc2C1"]}
{"name": "Dipeptidyl peptidase 4", "xref": ["CHEMBL.TARGET:CHEMBL4653"], "id": "UniProtKB:P14740", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRDDUUHRLZHKI-ULQDDVLXSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](C(=O)N2Cc3ccccc3C2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161830", "category": ["biolink:ChemicalEntity"], "name": "CARBOXYLATED GLUCOSAMINE", "xref": ["InChIKey:PTKIBGLZJSEXPT-KOOJSXSQSA-N", "SMILES:CC[C@H]1[C@H](O)[C@@H](NC(=O)CCC(=O)O)[C@H](CO)O[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXRBCJEWXKBPH-UHFFFAOYSA-N", "SMILES:CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYFRSPHGWDSMW-UHFFFAOYSA-N", "SMILES:CCC(CC)(c1ccc(OCC(=O)O)c(C)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYKLOADJOATWHQ-UHFFFAOYSA-N", "SMILES:CCC(Oc1ccc(C2(c3ccc(OC(CC)C(=O)O)c(C)c3)CCCCC2)cc1C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJQHIKXNPDXIT-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(-c2ccccc2)cnn1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEAOWRPVOQOEV-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMVPQAIJHNBQAF-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNMCOYKAPQGPBZ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)Nc2c(-c3ccccc3)cnn2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9352", "category": ["biolink:ChemicalEntity"], "name": "NARINGENIN", "xref": ["InChIKey:FTVWIRXFELQLPI-ZDUSSCGKSA-N", "SMILES:O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21"], "chembl_natural_product": true}
{"name": "3-oxoacyl-acyl-carrier protein reductase", "synonym": ["3-oxoacyl-[acyl-carrier-protein] reductase"], "xref": ["CHEMBL.TARGET:CHEMBL4513"], "id": "UniProtKB:Q965D6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273453", "category": ["biolink:ChemicalEntity"], "name": "ALDOSTERONE", "xref": ["InChIKey:PQSUYGKTWSAVDQ-ZVIOFETBSA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12"], "synonym": ["Aldosterone", "Aldosterone", "Aldosterona", "Aldosterone", "NSC-73856"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL207745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWXLQGBITVFAR-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYTQKCAWCAWNOY-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCC1(c2c[nH]c3ccc(OC)cc23)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIVWHZIVPDPHPL-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMYMGFDKAPBSGB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(C(C)(C)CNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGBFLKCLNZGGJB-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYBNBPACLNMCHY-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210287", "category": ["biolink:ChemicalEntity"], "name": "BROMOPYROGALLOL RED", "xref": ["InChIKey:NZBIQVXBGVBMFU-UHFFFAOYSA-N", "SMILES:O=c1c(Br)cc2c(-c3ccccc3S(=O)(=O)O)c3cc(Br)c(O)c(O)c3oc-2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210208", "category": ["biolink:ChemicalEntity"], "name": "PYROGALLOL RED", "xref": ["InChIKey:JTZKNOUMMWIARI-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(-c3ccccc3S(=O)(=O)O)c3ccc(O)c(O)c3oc-2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210574", "category": ["biolink:ChemicalEntity"], "name": "PYROCATECHOL VIOLET", "xref": ["InChIKey:HGPSVOAVAYJEIJ-XDHOZWIPSA-N", "SMILES:O=C1C=C/C(=C(/c2ccc(O)c(O)c2)c2ccccc2S(=O)(=O)O)C=C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXPCMOGORSWOLH-UHFFFAOYSA-N", "SMILES:Br.N=c1sc2c(n1CC(=O)c1ccc([N+](=O)[O-])cc1)CCCC2"]}
{"name": "Cellular tumor antigen p53", "xref": ["CHEMBL.TARGET:CHEMBL4164"], "id": "UniProtKB:P02340", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAGVCKULCLQGRF-UHFFFAOYSA-N", "SMILES:Br.Cc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFNSEDROOHGBY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURKEIXAKJIEGD-JHIBKCPMSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(=O)O)C(=O)NCCCCCC(=O)NC(CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHGKVUSMHZDAKH-SHROADRVSA-N", "SMILES:CN(C)c1ccc2cc3c(cc2c1)C(=O)N(CC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FATMKOSWYXDNJL-FCTRPSMQSA-N", "SMILES:CN(C)c1ccc2cc3c(cc2c1)C(=O)N(CC(NC(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMUDXJRYJFJINT-NVXMSLNZSA-N", "SMILES:N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCC/N=C(S)/N=C1/C=CC(=C2c3ccc(O)cc3Oc3cc(O)ccc32)C(C(=O)O)=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL208916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJJAERVDDMSANL-TXQDRJNYSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)C1NC(C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CN2C(=O)c3cc4ccc(N(C)C)cc4cc3C2=O)C(N)=O)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZBVEWNPFLFUCS-FXADVQPWSA-N", "SMILES:C[C@@H]1CN(c2ncc(C(O)CO)cc2Cl)CCN1c1nc2c(-c3cc(F)c(F)c(F)c3)cc(C(F)(F)F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNVMNIVKKSUNLC-OZXSUGGESA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(Cc2nc3ccccc3[nH]2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYNUREYKNAJNLW-UIOOFZCWSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)Nc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENBLMVKRYFDIR-GOSISDBHSA-N", "SMILES:Cc1coc2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYQNRDNWSFGCNC-MRXNPFEDSA-N", "SMILES:O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXXCFWYWQLXHB-QGZVFWFLSA-N", "SMILES:O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL195519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYAGAVRSOFABFO-SECBINFHSA-N", "SMILES:O=C1NC[C@]2(CN3CCC2CC3)O1"]}
{"name": "5-hydroxytryptamine receptor 3A", "xref": ["CHEMBL.TARGET:CHEMBL3666"], "id": "UniProtKB:O70212", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAKYXWZIPHOBJO-SFHVURJKSA-N", "SMILES:CCCCCCC(=O)C(=O)N1[C@H](C(=O)OCCc2ccccc2Cl)CSC1(C)C"]}
{"name": "Peptidyl-prolyl cis-trans isomerase FKBP4", "xref": ["CHEMBL.TARGET:CHEMBL4050"], "id": "UniProtKB:Q02790", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVJPICZEWJRMCF-IBGZPJMESA-N", "SMILES:CCCCCCC(=O)C(=O)N1[C@H](C(=O)OCCCc2ccccc2)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYLCTDZTROMLAV-KRWDZBQOSA-N", "SMILES:C=CCCCCCCCCOC(=O)[C@@H]1CSC(C)(C)N1C(=O)C(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPTHYMVSCVJAOF-INIZCTEOSA-N", "SMILES:CC(C)(C)C(=O)C(=O)N1[C@H](C(=O)OCCCc2ccccc2)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBQQKZFKFIJEF-HNNXBMFYSA-N", "SMILES:CC(C)(C)C(=O)C(=O)N1[C@H](C(=O)OCCCc2cccnc2)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUMVJYPIPOWSJ-RTGRKSDTSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1[C@H](C(=O)OC/C=C/c2ccccc2)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUEGESMPVCZPCO-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-[n+]2cc3c(cc21)[nH]c1ccccc13.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPKLVRIYXBROSG-UHFFFAOYSA-N", "SMILES:CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJXYIASUBZUHMU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)O)c(C)n2-c1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPPRCGRYKKENV-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c2ccccc2n1-c1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPYFRPOLFFYGM-YRCZKMHPSA-N", "SMILES:CNC[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNODVNPBWSKLU-DTXPUJKBSA-N", "SMILES:CNC[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFVWOMKVZLGFTF-IARZGTGTSA-N", "SMILES:CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFVWOMKVZLGFTF-HZFUHODCSA-N", "SMILES:CNC[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNODVNPBWSKLU-JBOQNHBVSA-N", "SMILES:CNC[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNODVNPBWSKLU-IDZRBWSNSA-N", "SMILES:CNC[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNODVNPBWSKLU-DYIKCSJPSA-N", "SMILES:CNC[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNODVNPBWSKLU-OCBJUFRSSA-N", "SMILES:CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNODVNPBWSKLU-FRXPANAUSA-N", "SMILES:CNC[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDPHBEKEDYCRHN-UHFFFAOYSA-N", "SMILES:O=c1cc2oc3ccc4ccccc4c3nc-2c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPUKZDTCLDYRO-LDCZIEQDSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLIFUUVAYRIKEL-SFOIOBPVSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFBUHRMKVMULCT-VQYDNHIRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAFYQMDPYIMIP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCNCCCNCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRCECHXALOPRL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCNCCNCCNCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JALSKZKYKAGIPA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCCNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUSUIGEDBJTHT-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCIURKEGYVWJE-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14249", "category": ["biolink:ChemicalEntity"], "name": "ADENOSINE TRIPHOSPHATE", "xref": ["InChIKey:ZKHQWZAMYRWXGA-KQYNXXCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"], "synonym": ["Adenosine triphosphate", "Adenosine 5'-triphosphoric acid", "Adenosine triphosphate"], "chembl_natural_product": true}
{"name": "2-dehydropantoate 2-reductase", "xref": ["CHEMBL.TARGET:CHEMBL4855"], "id": "UniProtKB:P0A9J4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEOBEOJCBAYXBA-KQYNXXCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1OP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1161862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICNHOLCERMYLRZ-LVEUGINISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14830", "category": ["biolink:ChemicalEntity"], "name": "ADENOSINE DIPHOSPHATE", "xref": ["InChIKey:XTWYTFMLZFPYCI-KQYNXXCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"], "synonym": ["Adenosine diphosphate", "Adenosine diphosphate", "Adp"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL139393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBMATWHOAGNTR-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL210117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGBUOUYFLYVPPG-BGERDNNASA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)P(=O)(O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZILIQNNTIKUCA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEHUWVFAQOAJBV-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc(CNC3CCCCC3)cc2)ccc1CNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFGHABBIYKHNJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCN(C(C)=O)CC4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCUKEUQZRNKBH-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc(CN3CCOCC3)cc2)ccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJPGMCFDZQFOND-UHFFFAOYSA-N", "SMILES:CC1CC(C)CN(Cc2ccc(-c3ccc(CN4CC(C)CC(C)C4)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUYOWRFISVMVGX-UHFFFAOYSA-N", "SMILES:CC1CCN(Cc2ccc(-c3ccc(CN4CCC(C)CC4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTFXOABKWRVBF-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHHRHIRSPSWRO-UHFFFAOYSA-N", "SMILES:CCCCCNCc1ccc(-c2ccc(CNCCCCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHOGGUIWMZFVFY-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2ccc(CN(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMCXFMWYRJPFTC-UHFFFAOYSA-N", "SMILES:c1cc(CN2CCCCC2)ccc1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXADGRVVCCIRJO-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc(CCN3CCCCC3)cc2)ccc1CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDVWETVNLSAZBK-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(-c2ccc(CN(C)C3CCCCC3)cc2)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUETZMWXHDGAOH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQOHQFYLWISJMK-UHFFFAOYSA-N", "SMILES:O=C1CCCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGEHNFSMBKQYIC-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHUSPSRLFVISPM-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNREKIOUOZLTH-NVSKSXHLSA-N", "SMILES:Cc1ccc(CCC(=O)N[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(C)[C@@H]3C6)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFZMFGBYRTYRZ-MDZANWBPSA-N", "SMILES:Cc1ccc(/C=C/C(=O)N[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(C)[C@@H]3C6)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPSMIMXFFGKHRC-DJQAJQEISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(C(N)=O)cc1C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIYLBJYGLPFTGY-INIZCTEOSA-N", "SMILES:Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJYCIFKTFCPQN-UHFFFAOYSA-N", "SMILES:CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCC/N=C(\\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNAXKKEJCCHMD-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLYXAHODXNVQT-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFNDTETUPMNYNN-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZGUIZYGOLWTO-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRXIXGRSIJDNI-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SINCAXCRAGCJEY-UHFFFAOYSA-N", "SMILES:Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTTMDSGFQMHASZ-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIERMBKITJHTJD-ZYWWQZICSA-N", "SMILES:Oc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260374", "category": ["biolink:ChemicalEntity"], "name": "THIOPERAMIDE", "xref": ["InChIKey:QKDDJDBFONZGBW-UHFFFAOYSA-N", "SMILES:S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL214312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESASFDNMLPZIR-KBPBESRZSA-N", "SMILES:c1nc([C@H]2C[C@@H]2CCNCC2CCCCC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQXUEKBVIXPKQ-JSGCOSHPSA-N", "SMILES:Clc1ccc(CNCC[C@H]2C[C@@H]2c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGHHKDMDVKJWOL-OLZOCXBDSA-N", "SMILES:c1nc([C@H]2C[C@@H]2CNCC2CCCCC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRLYCYTQSXMLL-YPMHNXCESA-N", "SMILES:Clc1ccc(CNC[C@H]2C[C@@H]2c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESASFDNMLPZIR-ZIAGYGMSSA-N", "SMILES:c1nc([C@@H]2C[C@H]2CCNCC2CCCCC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQXUEKBVIXPKQ-TZMCWYRMSA-N", "SMILES:Clc1ccc(CNCC[C@@H]2C[C@H]2c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGHHKDMDVKJWOL-QWHCGFSZSA-N", "SMILES:c1nc([C@@H]2C[C@H]2CNCC2CCCCC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQXUEKBVIXPKQ-GXTWGEPZSA-N", "SMILES:Clc1ccc(CNCC[C@H]2C[C@H]2c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESASFDNMLPZIR-KGLIPLIRSA-N", "SMILES:c1nc([C@H]2C[C@H]2CCNCC2CCCCC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQXUEKBVIXPKQ-OCCSQVGLSA-N", "SMILES:Clc1ccc(CNCC[C@@H]2C[C@@H]2c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVEBZNLWMFBMFA-UHFFFAOYSA-N", "SMILES:CCCc1c(OCCCOc2ccc(OCC(=O)OC)cc2)cnc(C(C)=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL153057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBVCKCCQCQCTJ-UHFFFAOYSA-N", "SMILES:CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL379052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBNBZBDFWZOJRY-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(C3=NCCN3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQDJUVZVCJZBP-ZHAQXQJCSA-N", "SMILES:CO[C@H]1C[C@H](C)CC2=C(NCCCCNC(=O)Cc3ccc4c(c3)C(C)(C)C3=[N+]4CCC4OC5CCN6C(=C5C=C34)C(C)(C)c3cc(S(=O)(=O)[O-])ccc36)C(=O)C=C(NC(=O)/C(C)=C/C=C\\[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGVXIHYIXWQKC-ZLIZXFABSA-N", "SMILES:O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](OP(=O)(O)O)CO[C@@H]2Cc2ccccc2)O[C@H](CO)[C@H]1OP(=O)(O)O"]}
{"name": "Inositol 1,4,5-trisphosphate-gated calcium channel ITPR1", "xref": ["CHEMBL.TARGET:CHEMBL2804"], "id": "UniProtKB:P29994", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJYIUFMKXGLHPP-MQFSBDGRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCCc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]2O)[C@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKJCSTFTMMDJRH-ZMRFOZOZSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]2O)[C@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQEPXXWNKLEIRE-NYCICKCISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](Cc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]2O)[C@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204385", "category": ["biolink:ChemicalEntity"], "name": "ADENOPHOSTIN A", "xref": ["InChIKey:RENVITLQVBEFDT-MZQFDOALSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]2O)[C@H]1OP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL279107", "category": ["biolink:ChemicalEntity"], "name": "INS(1,4,5)P3", "xref": ["InChIKey:MMWCIQZXVOZEGG-XJTPDSDZSA-N", "SMILES:O=P(O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL212233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZALHFQNLXQORTH-FGLATXDZSA-N", "SMILES:N[C@@]1(C(=O)O)C[C@@H](C(=O)O)N(C(=O)/C=C/C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKWGAIJWNCAQR-HNOVJDQZSA-N", "SMILES:[3H]CC([3H])c1nc(N(C)Cc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGXYOLQIFQNEAN-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl"]}
{"name": "Nuclear receptor subfamily 1 group I member 2", "xref": ["CHEMBL.TARGET:CHEMBL3401"], "id": "UniProtKB:O75469", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMQHNQBWIJYMO-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C)(C(=O)OC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPUDSUKLVWJOHF-UHFFFAOYSA-N", "SMILES:CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHPPMJILBGAWHP-DOJYQVMGSA-N", "SMILES:COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccc(N=[N+]=[N-])c([125I])c3)cc1)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFQSWHAFVANRQE-HWKANZROSA-N", "SMILES:CC(C)c1cc(Oc2c(Br)cc(CCC(=O)O)cc2Br)cc(/C=C/c2ccncc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRZLRWJDJPFDGG-KTNSFKJWSA-N", "SMILES:CCC/C=C(\\CCC)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1"]}
{"name": "Nuclear receptor subfamily 5 group A member 2", "xref": ["CHEMBL.TARGET:CHEMBL3544"], "id": "UniProtKB:O00482", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQZVYLEABSIDJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2OCc2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYXIMJVXJKHNW-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2OCc2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTDACPMYLDVTL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2ccccc2c1"]}
{"name": "Histone acetyltransferase GCN5", "xref": ["CHEMBL.TARGET:CHEMBL4669"], "id": "UniProtKB:Q03330", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBPJEDOCJXVKG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2ccccc2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1203924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJVMZJUGBIGJRB-UHFFFAOYSA-N", "SMILES:CCCN1Cc2ccccc2C2c3cc(O)c(O)cc3OCC21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNIYEGMNETZYGX-ZRRKCSAHSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVVZKAOSRUGRG-MIYQFMIASA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYIAAXJNZVUPE-DDAQEBKQSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCMXGALXZLNHR-QXBJWQJQSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNVASKCTNQIAR-FHPOJIKLSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFULURHAPJCOI-OEBUYDIWSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBNTNHADZNMIG-NQFIXEGCSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBRTEYBYRHYCJ-MMHKTENZSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCC(=O)O)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRBFPOTXKVBNW-FVQQHVHLSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCCCN)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUNHHIGVOBGYJP-VCLSSCRMSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNVASKCTNQIAR-IPUUMNCNSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFAGNKUXGGANI-OCFNDUIGSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNVASKCTNQIAR-WTKIFITDSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZFOEOMTDKHFQ-YIKNKFAXSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C(C)=O)CCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNFMCJJADATECP-ZRRKCSAHSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)CCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDKWPNCPZCCBW-ZWEKWIFMSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NNC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUJFYWLMKKBMY-MAARLIENSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHQNHINOQQUCII-IUAQSZDVSA-N", "SMILES:CC(C)C[C@H]1C(=O)NCCCc2ccccc2OCCN[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(C)C)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQRLYQHCZSUFGF-ZRRKCSAHSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZXFRIOWINLTFO-FXVJXKIMSA-N", "SMILES:CCC[C@@H]1OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPARHFSWWMFDAF-ZWEKWIFMSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXNKOOLINCJBEM-ILJQZKEFSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFDZDQFUCUABT-IWVFXYMLSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2csc3ccccc23)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLPTSBNSKGTKS-ILJQZKEFSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXQKKWQVXQUWBQ-YIKNKFAXSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVYWABIRFULLL-FULLSBAXSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCc2ccccc2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDBXWUJNJYKOY-SKBVVQJISA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](c2ccccc2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GATBDLOFGQKRNC-ZWEKWIFMSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC2CCCCC2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQYJNYALIHVMOZ-ZWEKWIFMSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WODPEOOXAMIJPB-RBZQAINGSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUISZJVAGAWZGH-FNFHGGDYSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC/C=C/CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPAYVRHIRBREHC-BFLUCZKCSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLJNGPRUYMSGTO-ZWEKWIFMSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITWAGJLCOSNGAP-UPRLRBBYSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCCc2ccccc2CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYUPQDZMANQSKY-OYUWMTPXSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCc2ccccc2CCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASRVXTPFLGLIMH-OYUWMTPXSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFWIYPIOGRXGTR-HXIFFVTASA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWYHJIEHPPGBC-UPRLRBBYSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCc2ccccc2CCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCVAFISJXNTEA-XVYFQXMKSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCc2ccccc2/C=C\\CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEGFCTCJEIVEAM-OYUWMTPXSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCc2ccccc2CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWXJGQXSMWEMZ-UPRLRBBYSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCc2ccccc2CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZCGDCNWPZDNR-VBMJSSIWSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVBZYJZUNXCLJ-CHTLNIFZSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCc2ccccc2/C=C\\CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUVTCBRADPPOT-BBDWGNOWSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NCCOc1ccccc1/C=C/CNC(C)=O)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAUINEVKPFWQAR-OWCLPIDISA-N", "SMILES:CCC[C@H](NC(=O)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBIAEYWURXAHQI-OFYMXCLBSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVMKYBLYODMLB-WCWPRPRFSA-N", "SMILES:CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPKFPCKFUXKPI-FIWZSRBJSA-N", "SMILES:CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLQNSFGWCGECE-AWBUAIGWSA-N", "SMILES:CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQYJJDQNOOMWMR-NQWXHHCGSA-N", "SMILES:CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNVASKCTNQIAR-DEPHPPBSSA-N", "SMILES:CCC[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGECIFLXOOMWNI-SGODFTFSSA-N", "SMILES:CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLMNDKCXHHOKIQ-UHFFFAOYSA-N", "SMILES:SCc1ccc(-c2cccnc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UITMTMQMFFBLFB-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc(C3SCCS3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGYMBFMWBIJXCU-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)cn(Cc3ccc(F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWGVXSESQPWML-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)cn(Cc3ccccc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMDQJXWXBLVJW-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNHUMMLUSHLSRT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(C(=O)NC3CCCC3)cn(CCN3CCOCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZSMGMMAKBCSRL-WDJVXPEUSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSMNGWOUQMYTJH-MBPVOVBZSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHAIOTGQHWJDDS-ZBBWKFRYSA-N", "SMILES:O=C1CC[C@@]2(NCCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHZTZQOZGGGTA-WZYLLMEMSA-N", "SMILES:O=C1CC[C@@]2(NCC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTIXOOXRVMHTBL-CHXIJPCNSA-N", "SMILES:O=C1CC[C@@]2(NC/C=C/Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQPWWQOZGDNGK-QVDUQQMDSA-N", "SMILES:O=C(CCCc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTHVXJQJBKWTIT-YIEUXPRJSA-N", "SMILES:O=C(C/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVLHUNBLJWDPM-ZLPBPMGLSA-N", "SMILES:O=C1CC[C@@]2(NCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYSHZXGBFZDQRH-FQYQUSJJSA-N", "SMILES:O=C(CCc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386492", "category": ["biolink:ChemicalEntity"], "name": "CLOCINNAMOX", "xref": ["InChIKey:RAURUSFBVQLAPW-DNIKMYEQSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYYYXWLRMUURD-GDZAYFCTSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQMOHIVUZCEOX-ANUZZMICSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNTWXBMTVNDDJZ-HFLONSNSSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL263482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBNVIAMDBGQFPU-CBZTZNMZSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXBTYKYLDMHQZ-HVNGRDOMSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZQXVMRVTJDWCK-RVVCTDIQSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEUWZOULKACFBC-ZBBWKFRYSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSYTVDGBUQRBX-QVDUQQMDSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFDBZKOGLUZBID-FQYQUSJJSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOKLDXGRMJGSQV-ZLPBPMGLSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDLEFHSJSZEPC-CSZVXOJQSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLHFOFZVNWFHI-HBMTYJCASA-N", "SMILES:O=C1CC[C@@]2(NCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIACCWNWDXAFJI-UHFFFAOYSA-N", "SMILES:c1cc(CN2CCCN3CCN(CCCNCC2)CC3)ccc1CN1CCCN2CCN(CCCNCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXWVCCFKIRBLDP-UHFFFAOYSA-N", "SMILES:CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2cc(C(=O)c3ccccc3)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL437479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULGQLBCXKKYQAT-UHFFFAOYSA-N", "SMILES:CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)O)ccc32)ccc2cc(C(=O)c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTLLEIWUBIYUFA-UHFFFAOYSA-N", "SMILES:CCCc1c(OCCCn2ccc3c(OC(C)(C)C(=O)O)cccc32)ccc2cc(C(=O)c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIJITCGUOBZSCP-UHFFFAOYSA-N", "SMILES:CCCc1c(OCCCn2ccc3cc(OCC(=O)O)ccc32)ccc2cc(C(=O)c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWQRVPGHLYPQJ-JEJOPICUSA-N", "SMILES:O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCACYFHUSYVIV-QFIPXVFZSA-N", "SMILES:O=C(NCc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTRPWJCEDWDHK-HNNXBMFYSA-N", "SMILES:O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINQVDMUOKSGFB-INIZCTEOSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYVRIDOONUDTD-INIZCTEOSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUJJVBUACMVES-UXZSZYKQSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRQCMOZADYUFC-JCVNQNCUSA-N", "SMILES:O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWXAJBCIUVZRO-JEJOPICUSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJSAWNPBVIVEH-INIZCTEOSA-N", "SMILES:O=C(NCc1ccccc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IISWKYWFWSJTQE-SFHVURJKSA-N", "SMILES:O=C(NC1Cc2ccccc2C1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCWVXYSPZYKSKT-KRWDZBQOSA-N", "SMILES:O=C(NCCc1ccccc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSHCCZGGXAKQPK-INIZCTEOSA-N", "SMILES:O=C(NCC1CCCCC1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQFXLJDPFTYLOR-AWEZNQCLSA-N", "SMILES:O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HINANNJLAJWXDV-FQEVSTJZSA-N", "SMILES:O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQXXVUMERZBNGV-KRWDZBQOSA-N", "SMILES:NCc1ccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKRNASIBIOWJMK-KRWDZBQOSA-N", "SMILES:NCc1cccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOURBNJZXFZGH-INIZCTEOSA-N", "SMILES:O=C(NCc1cccc(C(F)(F)F)c1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZNRPHBVKLRUDL-INIZCTEOSA-N", "SMILES:COc1cccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRBKPRZDLXXJA-INIZCTEOSA-N", "SMILES:COc1ccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZILFGHYKAFJM-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKKNYYDFMXMPE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)c(Cl)c1)N1CCN(C2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYWWGXVONYJOY-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZOYHAAOFZTHBU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCN(C2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUWAJNCMGJGPDT-LSDHHAIUSA-N", "SMILES:CCN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVLYYYOIUFKLI-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)NC2Cc3ccccc3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQMATHONWKXUGC-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)NC2Cc3ccccc3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYNMAYGKXJRGK-UHFFFAOYSA-N", "SMILES:O=C(NC1Cc2ccccc2C1)N1CCN(C2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJJGTXESXSGPU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1CCN(C2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWEUTRQRWSBHDR-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)N2CC=C(c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDIBENVMXQHJSA-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)N2CCC(c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMFZSFXXKBALEZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)N1CCN(C(C)C)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGNAKSVCUOQGE-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)N2CCc3ccccc3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHLLCXNGZGREC-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)N2CCC(C(C)(C)C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTXDTDYFGVXIY-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)N2CCC(Cc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDAGKQMCMNZJDE-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKFKOGOHFMDDR-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)N2CCC(C(=O)N3CC4CCC(CC4)C3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVGYCLZBOMGDE-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)N2CCC(NC(=O)C3CCCC3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOPQYKHNKJFQGY-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(C2CCCC2)CC1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWZWUNVIFMMLP-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(C2CC2)CC1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBOPRPJYPONXMS-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)N2Cc3ccccc3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLNICZPNGPQOG-KRWDZBQOSA-N", "SMILES:O=C(N1Cc2ccccc2C1)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBDZHVJBQBHARX-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZAFCMHMSNHJNO-QHCPKHFHSA-N", "SMILES:CN(Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUFPIMBJMTSBH-YZXNJQMESA-N", "SMILES:CC(/C=C/C(=O)NO)=C\\C1(C)Cc2cc(F)ccc2C1=O"]}
{"name": "Histone H4", "xref": ["CHEMBL.TARGET:CHEMBL5876"], "id": "UniProtKB:P62805", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVRGBYAEQRXSD-NJHWEWLZSA-N", "SMILES:CC(/C=C/C(=O)NO)=C\\C1(C)CCc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABIZRSFQNTZCOP-JPFJJCCVSA-N", "SMILES:CC(/C=C/C(=O)NO)=C\\C1(C)Cc2cc(N(C)C)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJHHPBGZCPQIO-VOTSOKGWSA-N", "SMILES:Cc1cc(-c2ccccn2)cc(C)c1/C=C/c1cncc(-c2nn[nH]n2)c1"]}
{"name": "Tyrosine-protein kinase Fyn", "xref": ["CHEMBL.TARGET:CHEMBL4517"], "id": "UniProtKB:P39688", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Proto-oncogene tyrosine-protein kinase LCK", "xref": ["CHEMBL.TARGET:CHEMBL2480"], "id": "UniProtKB:P06240", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430574", "category": ["biolink:ChemicalEntity"], "name": "PAULLONE", "xref": ["InChIKey:VGMDAWVZNAXVDG-UHFFFAOYSA-N", "SMILES:O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6291", "category": ["biolink:ChemicalEntity"], "name": "BISINDOLYLMALEIMIDE IX", "xref": ["InChIKey:DSXXEELGXBCYNQ-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCMOCGVRZVEPSS-FQEVSTJZSA-N", "SMILES:O=C1C[C@@H](c2ccc(O)cc2)Oc2c(Cc3ccccc3)c(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBFJMGDUIWYKMQ-KRWDZBQOSA-N", "SMILES:CC(C)(C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVQEHNABDHJGN-KRWDZBQOSA-N", "SMILES:CC(C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBYGNGSGOXLFO-SFHVURJKSA-N", "SMILES:CC(C)CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKWHELZNPRCJAS-SFHVURJKSA-N", "SMILES:CCCCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCDDRUHZAMKHP-INIZCTEOSA-N", "SMILES:CCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVYLXBMPRDZDR-AWEZNQCLSA-N", "SMILES:Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL460647", "category": ["biolink:ChemicalEntity"], "name": "SOPHORAFLAVANONE B", "xref": ["InChIKey:LPEPZZAVFJPLNZ-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL216596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDJYVQUSVHXJHY-FQEVSTJZSA-N", "SMILES:CCCCCCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGTXFXPDRFSQPT-QFIPXVFZSA-N", "SMILES:CCCCCCCCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQGTUCCMXKRAMD-DEOSSOPVSA-N", "SMILES:CCCCCCCCCCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUPDWIIWCCBRMP-ZHODDXKCSA-N", "SMILES:C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSQFDQOKKSGVIF-XNIJJKJLSA-N", "SMILES:CCCCc1cn(-c2nc(NC)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNHKSKYNPUEAHA-WOUKDFQISA-N", "SMILES:CNc1nc(-n2ccnn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQPJIFYNWOTMD-IDTAVKCVSA-N", "SMILES:CCc1cn(-c2nc(NC)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZBLPAPIUQVMH-IDTAVKCVSA-N", "SMILES:CNc1nc(-n2cc(CCO)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRKZMZSQJYBAJR-SDBHATRESA-N", "SMILES:CNc1nc(-n2cc(CN(C)C)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWSGIKNSPZUJAA-SCFUHWHPSA-N", "SMILES:CNc1nc(-n2cc(-c3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNBQDWOBYWSKD-LSCFUAHRSA-N", "SMILES:CNc1nc(-n2cc(-c3ccccn3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRTYIRVPBOIOV-QTQZEZTPSA-N", "SMILES:CCCOc1ccc(-c2cn(-c3nc(NC)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMXXBHUJSFNRY-NVQRDWNXSA-N", "SMILES:CNc1nc(-n2cc(Cc3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVCPEXPHSCKQFM-SCFUHWHPSA-N", "SMILES:CNc1nc(-n2cc(CC3CCCC3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIAIAVIESJHNP-NVQRDWNXSA-N", "SMILES:CNc1nc(-n2cc(CC3CCCCC3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSJVLFODYBZABL-PTGPVQHPSA-N", "SMILES:COc1ccc(Cl)c(CNc2nc(-n3cc(CC4CCCC4)nn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGLTPWFMHMLIW-KHTYJDQRSA-N", "SMILES:CNc1nc(-c2cn(Cc3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQQKJAAJWVZAV-VGKBRBPRSA-N", "SMILES:CNc1nc(-c2cn(Cc3cccc(OC)c3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJQKAKFNNBFTLQ-KHTYJDQRSA-N", "SMILES:CNc1nc(-c2cn(Cc3cccc(Cl)c3)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGHFBMIRAPKSQ-AEISUSGSSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4ccnn4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMQZSVEHSFONP-MOROJQBDSA-N", "SMILES:CCCCc1cn(-c2nc(NC)c3ncn([C@@H]4O[C@H](C(=O)NCC)[C@@H](O)[C@H]4O)c3n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKEDXKOLJCMJFR-QCUYGVNKSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(-c5ccccn5)nn4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENSVUOFBRHKIM-GRXQJBFDSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(Cc5ccccc5)nn4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYZZWNWJMOKZBD-KSVNGYGVSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(CC5CCCC5)nn4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAQREKOGAXNCLL-KQYNXXCUSA-N", "SMILES:CNc1nc(N=[N+]=[N-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOMAHDWTHMIAK-FLNNQWSLSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(N=[N+]=[N-])nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAQXKAIELUTQQX-LSCFUAHRSA-N", "SMILES:COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQRRSJBLKOPVJV-UHFFFAOYSA-N", "SMILES:BrCC(Br)C1CCC(Br)C(Br)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHIFCBOSAEOKV-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=CCNC(C)=O)c2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKVTZNVDXILPSZ-DEDYPNTBSA-N", "SMILES:COc1cccc(/C(=C/CNC(=O)C2CCC2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNURYXTMIYOKB-WOJGMQOQSA-N", "SMILES:COc1cccc(/C(=C/CNC(C)=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFUMJMKVVCEGP-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBFBUOGZBXOJH-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN2CCC(c3ccc(O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWEGSACJJWGSJO-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN2CCC(c3cccc(O)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVQFIPZZZFFFAW-UHFFFAOYSA-N", "SMILES:[O-][n+]1ccccc1C1CCN(Cc2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUMMPCXNEPHBNN-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAXKCPNSFLFAIY-UHFFFAOYSA-N", "SMILES:O=C(NCN1CCC(c2cccc[n+]2[O-])CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFCDMGGMCUKHST-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN2CCC(c3ccccn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGOSDKCDOQDSJ-UHFFFAOYSA-N", "SMILES:Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDLUAXWIJFAIL-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHBIXTVXXPTCEU-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC(c2cccc[n+]2[O-])CC1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDXXUZXRDBOGH-UHFFFAOYSA-N", "SMILES:Oc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440687", "category": ["biolink:ChemicalEntity"], "name": "ABT-724", "xref": ["InChIKey:FRPJGTNLZNXQEX-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1"], "synonym": ["A-369724"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJHQEWHCSIFEMP-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZDPLMDTMLBIJ-KDVFXEFXSA-N", "SMILES:CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OCCC)cc2)cc1)C(C)CC"]}
{"name": "Plasmepsin II", "xref": ["CHEMBL.TARGET:CHEMBL4414"], "id": "UniProtKB:P46925", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:137071"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANDFYSNGCMZLQG-OMVKNPSUSA-N", "SMILES:CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCCCC(C)Nc3cc(OC)cc4cccnc34)cc2)cc1)C(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPAEQSZBXPQEO-SHDXVADDSA-N", "SMILES:CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCCC(C)Nc3cc(OC)cc4cccnc34)cc2)cc1)C(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEFJYZGXZENAF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Cc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSLWBVUNYDJLBD-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Cc1c(C(=O)Nc3ccccc3)nn(-c3ccc(Cl)cc3Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNOMTMVRTBHRET-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOONPZHOPMGIMM-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(Cl)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRBGUWUGUQZTMQ-FBTODWDMSA-N", "SMILES:C[C@H]1[C@@H](CC(CNc2ccccc2)C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYDASURJWTWHD-UQEXJMOHSA-N", "SMILES:CCOP(=O)(OCC)OCC(C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOPQGVUXVFNNDO-SIQDRCAUSA-N", "SMILES:C[C@H]1[C@@H](CC(COP(=O)(Oc2ccccc2)Oc2ccccc2)C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTGFIUVDGNKRI-UUOKFMHZSA-N", "SMILES:NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL218832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKNQPDHAXSCGKL-ZJZGAYNASA-N", "SMILES:CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKOYRIROPKBZLR-QORCZRPOSA-N", "SMILES:CC[C@@H](C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280065", "category": ["biolink:ChemicalEntity"], "name": "OLEOYLETHANOLAMIDE", "xref": ["InChIKey:BOWVQLFMWHZBEF-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL295416", "category": ["biolink:ChemicalEntity"], "name": "PIRINIXIC ACID", "xref": ["InChIKey:SZRPDCCEHVWOJX-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C"], "synonym": ["Pirinixic acid", "Acide pirinixique", "Acido pirinixico", "NSC-310038", "WY-14643"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL219156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOJRCUXNIZFQKR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNDONDMNEQXUBC-HBGPKNEHSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccco4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481537", "category": ["biolink:ChemicalEntity"], "name": "PK-11195", "xref": ["InChIKey:RAVIZVQZGXBOQO-UHFFFAOYSA-N", "SMILES:CCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL53430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYLUJXJVFRCGSA-UHFFFAOYSA-N", "SMILES:CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTNCZSASXDDKK-PZJWPPBQSA-N", "SMILES:N#Cc1cccc(NC(=O)NCCC[C@@H]2C[C@H](Cc3ccccc3)CCN2)c1"]}
{"name": "C-C chemokine receptor type 3", "xref": ["CHEMBL.TARGET:CHEMBL3473"], "id": "UniProtKB:P51677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVWTYUWMRRCCPG-CPJSRVTESA-N", "SMILES:CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(=N)N)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOCOFADTVIPCCY-CUNXSJBXSA-N", "SMILES:CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZJGNQRWIXQQDJ-CUNXSJBXSA-N", "SMILES:CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(C)=O)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKEDNWBVXPATHJ-LVXARBLLSA-N", "SMILES:CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(F)(F)F)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQXOMTZSIHVEX-LVXARBLLSA-N", "SMILES:CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(F)F)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOPIJCZPWGNKW-FIPFOOKPSA-N", "SMILES:C#CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYYAUWOLSKMPO-CUNXSJBXSA-N", "SMILES:CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRTWZDQCGNRNRK-LVXARBLLSA-N", "SMILES:CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(N)=O)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTVCCHUPUJEUIW-FIPFOOKPSA-N", "SMILES:CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSHFBVRJUAGORQ-FIPFOOKPSA-N", "SMILES:CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCCO)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHIUUVSTTUGPRZ-CUNXSJBXSA-N", "SMILES:CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHVITKONHRHSFJ-FIPFOOKPSA-N", "SMILES:C=CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOWQHZNUGOGEV-FIPFOOKPSA-N", "SMILES:CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEEJHYWVYVJIRH-OFVILXPXSA-N", "SMILES:CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOHUEDNMOIDOC-NVQXNPDNSA-N", "SMILES:C=CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYBGEFJKJSJQI-HOFKKMOUSA-N", "SMILES:CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHAKAEUQTANHLB-NVQXNPDNSA-N", "SMILES:CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLSRYMJCMOWUIE-RDPSFJRHSA-N", "SMILES:CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKHFLVYZXJYWKW-RDPSFJRHSA-N", "SMILES:CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)cc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYKUNXLKNJTHND-UGKGYDQZSA-N", "SMILES:CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHOPXZORYBSMH-UNMCSNQZSA-N", "SMILES:CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGXVZPDCLIQAPG-UNMCSNQZSA-N", "SMILES:N#Cc1cccc(NC(=O)NCCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHBTZHUAFYABOU-ICSRJNTNSA-N", "SMILES:N#Cc1cccc(NC(=O)NCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTNCZSASXDDKK-FPOVZHCZSA-N", "SMILES:N#Cc1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWFZVCAHTKYRFD-IBGZPJMESA-N", "SMILES:Cn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMTONJUBNSRUDJ-VWLOTQADSA-N", "SMILES:CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPFFQXHOWOXMX-DEOSSOPVSA-N", "SMILES:CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTAWHRFZVJYPT-QHCPKHFHSA-N", "SMILES:CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDFOPDSNPFXBU-NRFANRHFSA-N", "SMILES:CCCn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDGCOWUVGYAJW-FQEVSTJZSA-N", "SMILES:CCn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZVGASVYVFZDPC-CVMIBEPCSA-N", "SMILES:CC(Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKCVOBLPJLIEAO-CVMIBEPCSA-N", "SMILES:CC(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYYWJCGWRPBFN-OZBJMMHXSA-N", "SMILES:CC(Cc1ccc(Oc2ccc(C#N)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONGJGHFSEDHHMJ-OZBJMMHXSA-N", "SMILES:CC(Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMNUBNNIXBAIC-PKHIMPSTSA-N", "SMILES:CC(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBRGYBZDCHVFF-CVMIBEPCSA-N", "SMILES:CC(Cc1ccc(Oc2ccc(C#N)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLFWIZCXVABPG-BMRADRMJSA-N", "SMILES:O=C(/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1)NS(=O)(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOPBYUCHZCDPA-BUHFOSPRSA-N", "SMILES:O=C(/C=C/c1ccccc1Cc1ccc2ccccc2c1)NS(=O)(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXLFRQXTJDGCO-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBTRYVIKJMHFJT-HCDPAPFBSA-N", "SMILES:Cc1ccc(OCc2c(Cl)cccc2Cl)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLYRAKUTPUBVDD-REFRTJCBSA-N", "SMILES:COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FILFMHYETWZKSH-GLDNGRHFSA-N", "SMILES:COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOAMCXAQSGXFFN-XEIPJVJCSA-N", "SMILES:O=C(/C=C/c1ccccc1C/C=C/c1ccccc1)NS(=O)(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKSVQVYACBUCLQ-AEVILUGTSA-N", "SMILES:Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQDKNZHEUFCAEA-ZXCYXOSYSA-N", "SMILES:Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXWYCRWRXGYBH-XIFKOZHTSA-N", "SMILES:O=C(/C=C/c1ccccc1/C=C/Cc1ccccc1)NS(=O)(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOWNATDGGRVFPX-QUUIIRRUSA-N", "SMILES:COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCRBJIDRBAGOY-AEVILUGTSA-N", "SMILES:COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYQSTIYOJQKQEZ-YUFDWGCQSA-N", "SMILES:Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXIRNNCCHWLOH-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZOKLIQHROZOQA-GUNRCEPCSA-N", "SMILES:COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIMOCAMZLBHNCQ-CTLAPNPFSA-N", "SMILES:COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDBYEQVSQBZSEH-BDXQXIFWSA-N", "SMILES:O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LREWFVYIDKQTCI-FLPZBXERSA-N", "SMILES:Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1237315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRLAGHDTOFFHIC-UMYPGWKJSA-N", "SMILES:O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1237316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVGVDWJQBSBUCV-YLGBWCEESA-N", "SMILES:COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1.COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1237317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGPFUQABWAMAT-PSDOXWGBSA-N", "SMILES:COc1cc(/C=C\\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1.COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVWBLTUVKUGOI-NBVRZTHBSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEDRJQMQCUOOM-FYWRMAATSA-N", "SMILES:O=C(O)/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODTKFNUPVBULRJ-NTCAYCPXSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL423815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOLQZQYMXCCLHS-VAWYXSNFSA-N", "SMILES:O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTMICDPPNZNOQ-UHFFFAOYSA-N", "SMILES:Nc1sc2cnccc2c1C(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBIODTKCFBGXHU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N/C(=N\\C#N)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULGFHPSYNQMBP-UHFFFAOYSA-N", "SMILES:CCC(CC)(NS(=O)(=O)c1cccc(N/C(=N/C#N)Nc2ccccc2Br)c1O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSVHKWZKMWYMAX-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1c(C(F)(F)F)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUJIXWHVZRCBM-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1c(F)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULCDGLYZEHBIFT-UHFFFAOYSA-N", "SMILES:CCC(CC)(NS(=O)(=O)c1c(C)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEGWRFJDASFVFU-UHFFFAOYSA-N", "SMILES:Cc1ccc(N/C(=N/C#N)Nc2ccccc2Br)c(O)c1S(=O)(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQASBIAYFZQOMN-KDURUIRLSA-N", "SMILES:CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2C)c1O)N1C[C@@H](C)O[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNQSYCVLRVJIIH-CALCHBBNSA-N", "SMILES:CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O)N1C[C@@H](C)O[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJKBTMMJKJYHB-UHFFFAOYSA-N", "SMILES:CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O)N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODGMHXCDXLYFF-LJQANCHMSA-N", "SMILES:CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O)N1CCC[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQFYVRWKCFGHHV-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2cccc(Cl)c2F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEZMHIVTYRWBEX-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2C(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJYWNWXBXOJFTD-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1N/C(=N\\C#N)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTWHZYBSKKHULS-UHFFFAOYSA-N", "SMILES:CCc1ccccc1N/C(=N\\C#N)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZWLQHDOCJREA-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2-c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWBLYBMUDAPNW-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2OCc2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPVZCYDESBRJFA-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSUHDIWXJIDLC-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZVUQVMVBXOURL-VMPREFPWSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOLFDZVYRFPMH-VMPREFPWSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCCMZNKLKPVPJT-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSLKCJFAEISGNN-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNWBWOUADKLSR-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPRBKFRPZDYRT-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCCCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNYTTDHCMFOME-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKWKOFCTIYRPP-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGFBXMELSULAL-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHBXYOIQFUWBY-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTLGBUWEUHXKQ-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOJAMZWKYLIDE-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVWICFSPMABCW-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C(C)=O)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVJASHFHEVGXKC-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLXRLDXOTTYEB-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C3CCSCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCCIGUCWPWQUJP-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZCHXOPUIXZNT-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXINJBZYGSKKL-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDZQWRVRDWYHN-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVHCKLEUVVBBN-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHIYAFPZNJJMMS-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVUQXKZYKKWCCM-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZFCPKCWBVLKR-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373569", "category": ["biolink:ChemicalEntity"], "name": "ELEDOISIN", "xref": ["InChIKey:AYLPVIWBPZMVSH-FCKMLYJASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O"], "synonym": ["Eledoisin", "Eledoisine", "Eledoisina", "ELD 950", "ELD-950"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL106124", "category": ["biolink:ChemicalEntity"], "name": "SENKTIDE", "xref": ["InChIKey:HMHYXLVEFVGOPM-QKUYTOGTSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQHSKTAHWLQAGK-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXUYPPNRFDHEJ-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(Br)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFEBDUAOHHUIJM-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUHHJMJXHUZIE-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTEDMJIOHXFWJO-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccc(F)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMNUFQWKNGJXEJ-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cccc(F)c12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGKFIQMBOHQSC-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMXKKUPRMCNMD-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGNCPSDGVFCBLX-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2F)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDKYNSRRYVERE-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUFQCIGCCUNWQP-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNQVHVGGWNTQLT-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBVBDORJZIYDR-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGAMQKKBHVJSM-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZSYFIONYJKUAK-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYQOJWXRSKJMF-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWLGOHBPDLTBB-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(=O)OCC(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCIRGWGKHTGGN-UHFFFAOYSA-N", "SMILES:CCOC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLSTVOPSMZBZSR-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL435313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIMLEBQFJQCQID-UHFFFAOYSA-N", "SMILES:CCC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWFQWGQGLMRXNV-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(C)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZWLIIGWDDMGC-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNLGGCKSGQRNJ-UHFFFAOYSA-N", "SMILES:CCN(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDIATLWJHNQTA-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C)c1ccccc1"]}
{"name": "Neuromedin-K receptor", "xref": ["CHEMBL.TARGET:CHEMBL3154"], "id": "UniProtKB:P16177", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMMJBTPFPQGXOL-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(C#N)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNMPWSVBGGMIMS-UHFFFAOYSA-N", "SMILES:COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(C(F)(F)F)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHVGNHYSDRNNN-UHFFFAOYSA-N", "SMILES:CCSc1nc(N)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXETVWABBHSXHN-UHFFFAOYSA-N", "SMILES:CSc1nc(N)nc(-c2cccc(-c3ccc4[nH]ccc4c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZVHWWBCFDUHN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(-c3nc(N)nc(SC)n3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNTZGRFYNKJDB-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2Cl)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPRRVSKUNQSTO-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYJDRNKSYOJANZ-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2cccnc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTFPADSQKJTDTO-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQBPXJSWOBGZJK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADSZRHDJWBZORK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPYANFLUOHWHOF-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(F)cc2)cc(C2CC2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTFDSKMEYTLRC-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDLZHWQNOIFFN-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXRJQUVTVUVZRP-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZTFCUSRGDDALU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQDOHPTXMGWBDW-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNVSTDRFRAKND-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNMTXWVAZKNSM-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)nc2c(c1-c1ccc(F)cc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYOMNIOAWOMNMO-BXMPDYBMSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"name": "Heme oxygenase 1", "xref": ["CHEMBL.TARGET:CHEMBL4434"], "id": "UniProtKB:P14901", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGFIWPTUBSLBI-YMSVYGIHSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@@H]1O.O=S(=O)(O)O"]}
{"name": "Protocadherin-15", "xref": ["CHEMBL.TARGET:CHEMBL6112"], "id": "UniProtKB:Q96QU1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQBMPJYFQVSHLG-UHFFFAOYSA-N", "SMILES:Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZHFOKQZRZCPF-ROUUACIJSA-N", "SMILES:COC(=O)N1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CC=C(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221753", "category": ["biolink:ChemicalEntity"], "name": "BENZETHONIUM CHLORIDE", "xref": ["InChIKey:UREZNYTWGJKWBI-UHFFFAOYSA-M", "SMILES:CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-]"], "synonym": ["Benzethonium chloride", "Benzethonium chloride", "Chlorure de benzethonium", "Cloruro de bencetonio", "Benzethonium chloride concentrate", "Hyamine", "Neostelin green", "Phemerol", "NSC-20200", "Phemerol chloride"], "chembl_natural_product": true}
{"name": "KiSS-1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL5413"], "id": "UniProtKB:Q969F8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTJDGOIOMBYDLX-SSGXOEHOSA-N", "SMILES:NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHITVLHYSLLFU-ZFOKTMFVSA-N", "SMILES:Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTYYNQYSIYWFW-SSGXOEHOSA-N", "SMILES:NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOWACXSXTXRKA-UHFFFAOYSA-N", "SMILES:O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVOCPXSWUYWAL-OAHLLOKOSA-N", "SMILES:CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYAWOSLKARYYMV-CQSZACIVSA-N", "SMILES:CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSQAICBCYIFUQS-GFCCVEGCSA-N", "SMILES:O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACIAOTYWHUSEBZ-AWKYBWMHSA-N", "SMILES:CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFFJDQHYLNEJK-ZDUSSCGKSA-N", "SMILES:CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@H](CC(=O)O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221007", "category": ["biolink:ChemicalEntity"], "name": "DIASTEREOMER 2", "xref": ["InChIKey:NXFFJDQHYLNEJK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWWJWZJOSWSJQV-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(C)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXBBMCIVYYJMJC-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCCC4)[nH]c3n2)cc1"], "synonym": ["LUF-5981"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEUPSQCQJOFTFI-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCC4)[nH]c3n2)cc1"], "synonym": ["LUF-5816"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZUCUIUVUYBJL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPQRSDCKVYJMOH-UHFFFAOYSA-N", "SMILES:CCC(CC)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFWSQNEFCXMGP-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1"], "synonym": ["LUF-5978"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXYMDQLBZWOMA-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1"], "synonym": ["LUF-5980"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBBRCPJIWFJBPI-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMDYRFYZMJGDQY-UHFFFAOYSA-N", "SMILES:CCc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDKOLLILMBGNN-UHFFFAOYSA-N", "SMILES:Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRQCVLBKLGJDMI-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc(-c3ccccc3)c3nc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTZPAWLYJASHR-UHFFFAOYSA-N", "SMILES:Oc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL68738", "category": ["biolink:ChemicalEntity"], "name": "N6-CYCLOPENTYLADENOSINE", "xref": ["InChIKey:SQMWSBKSHWARHU-SDBHATRESA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O"], "synonym": ["CCPA"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL183", "category": ["biolink:ChemicalEntity"], "name": "1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE [DPCPX]", "xref": ["InChIKey:FFBDFADSZUINTG-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL48278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMRVYPPUVMKOI-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(NC3CCCC3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUSVVYBCYZYRH-NXBWRCJVSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL435323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEBRFHAVFOSSOX-WSFLLCRESA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEBRFHAVFOSSOX-CDKUOFBKSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1429", "category": ["biolink:ChemicalEntity"], "name": "DESMOPRESSIN", "xref": ["InChIKey:NFLWUMRGJYTJIN-PNIOQBSNSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"], "synonym": ["Desmopressin", "Desmopressin", "Desmopressin", "Desmopressine", "Desmopresina", "Desmopressin", "Desmopressin", "Ser-120", "Ser120", "H01BA02"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL439318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCFZYFWHJHBZII-YYGRSCHNSA-N", "SMILES:NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTQXQYOXTHBOBM-MRNVWEPHSA-N", "SMILES:NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKJTVFITUUDRQ-NXBWRCJVSA-N", "SMILES:NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOHQWZEVLAAEZ-POFDKVPJSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOLRNSRVHAZDY-QJCLFNHPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEMJEHRQGCUGEY-POFDKVPJSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQCNVIVUUQTRA-QJCLFNHPSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZPQDNABVFGPNI-POFDKVPJSA-N", "SMILES:NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYHQDXERCUYHP-POFDKVPJSA-N", "SMILES:NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTIGVSAVZNLKG-QJCLFNHPSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBVZQPKQFUSYKR-POFDKVPJSA-N", "SMILES:NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAOGZAMKKBQERK-NXBWRCJVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIYXBPSZIAMFAA-POFDKVPJSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGZMLGLFLYCDQT-PEAOEFARSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWLIPGRNZUUNS-OAKHNGAUSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XABCPBOFMBSCDK-PEAOEFARSA-N", "SMILES:NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPVYQFBOSXXNLG-CXWHUAPYSA-N", "SMILES:NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL263090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADGMGWLZUBCQD-ZTYVOHGWSA-N", "SMILES:NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEAHYTRPVNOHKL-ZHFJCBJKSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2cccnc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVVIZMMVAAKOOP-QJCLFNHPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKYCVZNKBXGNEK-ZTYVOHGWSA-N", "SMILES:NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1"]}
{"name": "Oxytocin receptor", "xref": ["CHEMBL.TARGET:CHEMBL3996"], "id": "UniProtKB:P70536", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTSYEFRBIUQVOF-UHFFFAOYSA-N", "SMILES:C1=C(c2cccc(CNCCOc3cccc4c3OCCO4)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIDOKRWKAIHOH-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370143", "category": ["biolink:ChemicalEntity"], "name": "PAROMOMYCIN", "xref": ["InChIKey:UOZODPSAJZTQNH-LSWIJEOBSA-N", "SMILES:NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O"], "synonym": ["Paromomycin", "Paromomycin", "Paromomycine", "Paromomicina", "Paromomycin", "Aminosidin", "Catenulin", "Crestomycin", "Estomycin", "Gabromycin", "Hydroxymycin", "Monomycin a", "Neomycin e", "Paromomycin", "Paromomycin i", "Paucimycin", "Quintomycin c", "ANTIBIOTIC 503-3", "ANTIBIOTIC SF 767B", "ANTIBIOTIC SF-767B", "R 400", "R-400"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Translation initiation factor IF-3", "xref": ["CHEMBL.TARGET:CHEMBL1075077"], "id": "UniProtKB:P0A707", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVCMFHKXDUPDFB-YXZULKJRSA-N", "SMILES:O=c1cc(I)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"name": "Orotidine 5'-phosphate decarboxylase", "xref": ["CHEMBL.TARGET:CHEMBL5688"], "id": "UniProtKB:O26232", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:187420"]}
{"name": "Orotidine phosphate decarboxylase", "synonym": ["Orotidine 5'-phosphate decarboxylase"], "xref": ["CHEMBL.TARGET:CHEMBL5173"], "id": "UniProtKB:Q8T6J6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLAEOKLJQXFBS-PEBGCTIMSA-N", "SMILES:CC(=O)N[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYVGSULTDVJPTN-UAKXSSHOSA-N", "SMILES:[N-]=[N+]=Nc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXMYTAGGGFLIP-UAKXSSHOSA-N", "SMILES:Nc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDDXXQBOCIZVFB-QCNRFFRDSA-N", "SMILES:CC(C)(C)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336296", "category": ["biolink:ChemicalEntity"], "name": "URIDINE TRIPHOSPHATE", "xref": ["InChIKey:PGAVKCOVUIYSFO-XVFCMESISA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "synonym": ["Uridine 5'-triphosphate", "Uridine triphosphate", "Uridine-5'-triphosphate", "Utp", "INS-316", "INS316"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL373780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWTUUIWWVPWHAA-XVFCMESISA-N", "SMILES:N[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHYOUGAATNYCAZ-XVFCMESISA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZLOYMABJJGTA-XVFCMESISA-N", "SMILES:N[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDQGYIGIVCECG-YWGUVQAUSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3OC(O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221326", "category": ["biolink:ChemicalEntity"], "name": "DIQUAFOSOL", "xref": ["InChIKey:NMLMACJWHPHKGR-NCOIDOBVSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "synonym": ["Diquafosol", "Diquafosol", "Dicuafosol", "Diuridine tetraphosphate", "INS-365"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL220200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDALCZPYHIGIR-XVFCMESISA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)S)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507282", "category": ["biolink:ChemicalEntity"], "name": "DENUFOSOL", "xref": ["InChIKey:FPNPSEMJLALQSA-MIYUEGBISA-N", "SMILES:Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1"], "synonym": ["Denufosol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL384527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFHOSULCAJGRM-UAKXSSHOSA-N", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL220398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABOQIBZHFFLOGM-UAKXSSHOSA-N", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHCYMLUZIRLXAA-SHYZEUOFSA-N", "SMILES:O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL220337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQJWHJWAEOHVCK-ZOQUXTDFSA-N", "SMILES:CO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220940", "category": ["biolink:ChemicalEntity"], "name": "THYMIDINE_TRIPHOSPHATE", "xref": ["InChIKey:RZCIEJXAILMSQK-JXOAFFINSA-N", "SMILES:Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O"], "synonym": ["Thymidine-5'-triphosphate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXAGMVNACHDOG-RBUKOAKNSA-N", "SMILES:CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376897", "category": ["biolink:ChemicalEntity"], "name": "METHSCOPOLAMINE", "xref": ["InChIKey:LZCOQTDXKCNBEE-IKIFYQGPSA-N", "SMILES:C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12"], "synonym": ["Methylscopolamine", "(-)-n-methylscopolamine", "Methscopolamine cation", "Methscopolamine ion", "N-methylhyoscine", "N-methylscopolamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL222259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWWXHZNICDGMJ-CCXMUWKTSA-M", "SMILES:C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWWXHZNICDGMJ-HWAJWLCKSA-M", "SMILES:C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWWXHZNICDGMJ-SXWPHCFWSA-M", "SMILES:C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWWXHZNICDGMJ-NFQNBQCWSA-M", "SMILES:C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNDQWNMDDVQDNC-FDOHDBATSA-M", "SMILES:C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNDQWNMDDVQDNC-CMXBXVFLSA-M", "SMILES:C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCLHAWGKPEFIX-AABGKKOBSA-N", "SMILES:CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCLHAWGKPEFIX-XUVXKRRUSA-N", "SMILES:CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCLHAWGKPEFIX-HSALFYBXSA-N", "SMILES:CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCLHAWGKPEFIX-ZCNNSNEGSA-N", "SMILES:CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXAGMVNACHDOG-MOPGFXCFSA-N", "SMILES:CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAWODBWCXWPBOU-VOMIJIAVSA-M", "SMILES:C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1.[I-]"]}
{"name": "Muscarinic acetylcholine receptor M3", "synonym": ["Muscarinic acetylcholine receptor"], "xref": ["CHEMBL.TARGET:CHEMBL5498"], "id": "UniProtKB:Q8VH26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBSRBWBXBTGAA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDJLYRNZKODDY-UHFFFAOYSA-N", "SMILES:C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJABKWBLECVSTB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(C)nnc2SCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCUOTEHZEQAFPV-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(C)CC2)ccc1NC(=O)CSc1nnc(C)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDVOOWYOMRNCY-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCC(CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYBQPYUGFRCTC-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTCVGABAUANGJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2nnnc2C(c2ccccc2F)N2CCN(C3CCCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHUTWQRLKOUUFX-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJCTHLPBPJBRB-VIFPVBQESA-N", "SMILES:O=C1c2c(cccc2C(F)(F)F)[C@@H]2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYGHKGXCTYKEZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc2c1C(=O)N1CCNCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NROXZHMZQQOHQD-UHFFFAOYSA-N", "SMILES:O=C1c2c(O)cccc2C2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUSYFWWSFRQVIJ-UHFFFAOYSA-N", "SMILES:CSc1cccc2c1C(=O)N1CCNCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNLHHFCTDZQJU-UHFFFAOYSA-N", "SMILES:O=C1c2c(Cl)cccc2C2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDPKPGZFATVMP-UHFFFAOYSA-N", "SMILES:O=C1c2c(OC(F)(F)F)cccc2C2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGESLMCHEVXSAE-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C(=O)N1CCNCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJCTHLPBPJBRB-UHFFFAOYSA-N", "SMILES:O=C1c2c(cccc2C(F)(F)F)C2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQXADIYISFYCJ-CMPLNLGQSA-N", "SMILES:CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVKCCPZQJAJISN-CPCISQLKSA-N", "SMILES:C[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXGOSZXOKPHJFK-NEPJUHHUSA-N", "SMILES:CC(C)[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNIPSARJNABKIZ-XCBNKYQSSA-N", "SMILES:C[C@@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNIPSARJNABKIZ-XVKPBYJWSA-N", "SMILES:C[C@H]1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBTVNVZICWCIZ-JTQLQIEISA-N", "SMILES:CN1CCN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMIJLPGZMHLGI-NSHDSACASA-N", "SMILES:CCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPPEHPITSSEAI-JTQLQIEISA-N", "SMILES:COc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFBKPFOAKNIHM-LBPRGKRZSA-N", "SMILES:CCc1cc2c(cc1OC)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBIPHDGFUDLWID-JTQLQIEISA-N", "SMILES:COc1cc2c(cc1Cl)[C@@H]1CNCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWKILPBYPRWWLP-NSHDSACASA-N", "SMILES:CCc1ccc2c(c1OC)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGMDYLOFCDBBNK-VIFPVBQESA-N", "SMILES:COc1c(Cl)ccc2c1C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGWMDPQPQYEPII-QMMMGPOBSA-N", "SMILES:O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQPQWBAHAQSSY-QMMMGPOBSA-N", "SMILES:O=C1c2c(C(F)(F)F)ccc(Cl)c2[C@@H]2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPQBHKMSHZJOE-QMMMGPOBSA-N", "SMILES:COc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGSLSPNOXHERQP-JTQLQIEISA-N", "SMILES:CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIBXDVSPAHSLA-VIFPVBQESA-N", "SMILES:Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJKVURGGNRPOQA-LBPRGKRZSA-N", "SMILES:CC1(c2cc3c(c(C(F)(F)F)c2)C(=O)N2CCNC[C@@H]32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZJSOYXYBMPMRH-LBPRGKRZSA-N", "SMILES:O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEJBZZKHLSYTJ-NSHDSACASA-N", "SMILES:C#Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADIZNXZPSVKJP-NSHDSACASA-N", "SMILES:C=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWBTHWEZHVQCP-LBPRGKRZSA-N", "SMILES:CC(C)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGYHMBUODQQEI-ZDUSSCGKSA-N", "SMILES:CCCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVEZXQPMVSTLDV-LBPRGKRZSA-N", "SMILES:CCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBGLEQDAYJKBP-NSHDSACASA-N", "SMILES:CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLRMJWTUNWLVEF-JTQLQIEISA-N", "SMILES:Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKSZKXRXZYQGH-NSHDSACASA-N", "SMILES:CCOc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBSTVSERURFTA-JTQLQIEISA-N", "SMILES:COc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPVKQOCEHYKJTR-JTQLQIEISA-N", "SMILES:O=C1c2c(cc(CO)cc2C(F)(F)F)[C@@H]2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIFYZQDNVXMCZ-NSHDSACASA-N", "SMILES:CC(=O)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIIYIDXACVAQP-VIFPVBQESA-N", "SMILES:O=C1c2c(cc(Cl)cc2C(F)(F)F)[C@@H]2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478", "category": ["biolink:ChemicalEntity"], "name": "CHLOROPHENYLPIPERAZINE", "xref": ["InChIKey:VHFVKMTVMIZMIK-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCNCC2)c1"], "synonym": ["1-m-chlorophenyl piperazine metabolite", "Chlorophenylpiperazine", "Mcpp"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL223584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJCTHLPBPJBRB-SECBINFHSA-N", "SMILES:O=C1c2c(cccc2C(F)(F)F)[C@H]2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFARURMVYRLLSP-UHFFFAOYSA-N", "SMILES:N#Cc1cccc2c1C(=O)N1CCNCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMFEDKMWLQCNE-UHFFFAOYSA-N", "SMILES:O=C1c2c(F)cccc2C2CNCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIRTIZGCOUFDH-XCBNKYQSSA-N", "SMILES:C[C@@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIRTIZGCOUFDH-XVKPBYJWSA-N", "SMILES:C[C@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMURJUIWIJZOLD-JTQLQIEISA-N", "SMILES:CC1(C)CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSBXAJKEQTLFT-QMMMGPOBSA-N", "SMILES:COc1ccc(Cl)c2c1C(=O)N1CCNC[C@@H]21"]}
{"name": "Sigma non-opioid intracellular receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3602"], "id": "UniProtKB:Q9R0C9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60542", "category": ["biolink:ChemicalEntity"], "name": "(+)-PENTAZOCINE", "xref": ["InChIKey:VOKSWYLNZZRQPF-CCKFTAQKSA-N", "SMILES:CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL376000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRIOHHDYJDFPEK-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEOLOYBLVYPIDH-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCN(Cc3ccccc3)CC2)CC(c2ccccc2)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWPGJYSOCFEPI-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVGVLCERDITEB-UHFFFAOYSA-N", "SMILES:CN1C(=O)N(C2CCN(Cc3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFLNWJPCXKOPL-DEOSSOPVSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFLNWJPCXKOPL-XMMPIXPASA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCMZPILKHYETB-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNLCBVEWCZBLZ-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC2CCC(C1)N2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNWDUWKLZHRGR-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAACSVRUEKCICF-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCC(N3CC(c4cccs4)(c4cccs4)NC3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEUMKUUXZQOHBM-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRELIADAHWJAPD-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCC(N3CC(c4ccccc4)(C4CCCCC4)NC3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCBLDPYKRZMKJ-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZQHODYVASSTK-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGJKIIDOBCNAB-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQLCEYEYYJZIW-UHFFFAOYSA-N", "SMILES:Nc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLJEIBXFOYRCP-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWTHNZCKZNYDHG-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSZRBVWJTVOGE-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGHVUGONUOFJE-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYPOZFCHPWOPA-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSDMGLIRMIERDF-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGQVKZMTZBKLQ-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGOGWBOUZHXTME-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMNXSIUGYBUAW-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCOc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNPVKPZJQODAL-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBYYCKOMCLLSSD-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFMHNFUCCFKKRZ-UHFFFAOYSA-N", "SMILES:CN1CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDMCJAWFJFKGY-UHFFFAOYSA-N", "SMILES:O=C1NC(Cc2ccccc2)(Cc2ccccc2)CN1C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAWBGCCWTWGZPD-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVBGOQXKSXKHJQ-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLFIQCGXPLUMEB-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHYXERRLBRDGAY-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBMVFCIJGFHCCF-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYSLFQOZFGCFSX-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEVOAVBRSZFZGI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXBJLZSTINTDE-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICJSUGPVTUXMP-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN1CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSNTKNKIDZPTF-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRHMCEJLGKCOGL-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2c[nH]cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQPTWADILJWQN-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CC2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFUOHJZFGIXXQE-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDTXFAOVLONHRG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3ccc(OC)cc3)CN(C3CCN(Cc4ccccc4)CC3)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1382", "category": ["biolink:ChemicalEntity"], "name": "TOLTERODINE", "xref": ["InChIKey:OOGJQPCLVADCPB-HXUWFJFHSA-N", "SMILES:Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1"], "synonym": ["Tolterodine", "Tolterodine", "Tolterodine", "Tolterodine", "Tolterodina", "Tolterodine", "Tolterodine", "KABI 2234", "KABI-2234", "Blerone xl", "Detrusitol", "Detrusitol xl", "Efflosomyl xl", "Inconex xl", "Mariosea xl", "Neditol xl", "Preblacon xl", "Santizor xl", "Tolterodine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL390839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBFLFSZJZOBBU-UHFFFAOYSA-O", "SMILES:C[N+]1(C)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMSDQUDVBLZSMZ-PXWGLLCJSA-O", "SMILES:C[N+]1(CC(=O)c2ccccn2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGSZVRHYQKWPAG-HVQYUPJGSA-O", "SMILES:C[N+]1(CC(=O)c2cccnc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWPNVPTHVJCPA-WNEYBHKTSA-O", "SMILES:C[N+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONNUPKRLWJHEZ-HSGLFRJESA-O", "SMILES:C[N+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDWGATIFULLOLF-NHYGQJMQSA-O", "SMILES:C[N+]1(CC(=O)c2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTWQZQOULZVQSB-UOQVMRJOSA-O", "SMILES:C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVYRBDIADJELP-ZGAORZAOSA-O", "SMILES:C[N+]1(CCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVYRBDIADJELP-KZQYXEPFSA-O", "SMILES:C[N+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEKBKFPFVCGCBX-UHFFFAOYSA-O", "SMILES:COCC[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKKBJJVVACKPK-UHFFFAOYSA-O", "SMILES:N#CC[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJOVQRCCRYZCJ-URNYMRNVSA-O", "SMILES:C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFEXNFIIGBMTBH-UHFFFAOYSA-O", "SMILES:C[N+]1(CC(=O)Nc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LETHFKJQPLZEST-UHFFFAOYSA-O", "SMILES:C[N+]1(CC(=O)c2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVCFEIBBOTGAN-UHFFFAOYSA-O", "SMILES:C[N+]1(CCCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNSMXBTHSLXDC-UHFFFAOYSA-O", "SMILES:C[N+]1(CCOCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVYRBDIADJELP-UHFFFAOYSA-O", "SMILES:C[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKNASJNZVVEVJG-UHFFFAOYSA-O", "SMILES:C[N+]1(CCCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JULMDUPZBRMFGS-UHFFFAOYSA-N", "SMILES:C[N+]1(CCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBKUXNXDGXGGR-GOWJNXQMSA-O", "SMILES:C[N+]1(Cc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJAZCYVGXMBABM-UHFFFAOYSA-O", "SMILES:C[N+]1(C)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBKUXNXDGXGGR-UHFFFAOYSA-O", "SMILES:C[N+]1(Cc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSVQRMDLUIMAZ-UHFFFAOYSA-O", "SMILES:C[N+]1(C)C2CCC1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHBGWWMCNBBQMJ-UHFFFAOYSA-O", "SMILES:C[N+]1(Cc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBYLKDVYYBZOR-UHFFFAOYSA-O", "SMILES:C[N+](C)(C)CCCN1CC(c2ccccc2)(c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438243", "category": ["biolink:ChemicalEntity"], "name": "ALAMETHICIN", "xref": ["InChIKey:LGHSQOCGTJHDIL-UTXLBGCNSA-N", "SMILES:CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)Cc1ccccc1)C(C)C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL224784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDZCUVUMJGPNOP-UHFFFAOYSA-O", "SMILES:C[N+](C)(C)CCN1CC(c2ccccc2)(c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POYPWMLCUXGEFJ-UHFFFAOYSA-O", "SMILES:C[N+](C)(CCN1CC(c2ccccc2)(c2ccccc2)NC1=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBKUXNXDGXGGR-SUHMBNCMSA-O", "SMILES:C[N+]1(Cc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWQRFZUJAVEAS-UHFFFAOYSA-O", "SMILES:C[N+]1(Cc2ccccc2)C2CCC1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278488", "category": ["biolink:ChemicalEntity"], "name": "ACIFRAN", "xref": ["InChIKey:DFDGRKNOFOJBAJ-UHFFFAOYSA-N", "SMILES:CC1(c2ccccc2)OC(C(=O)O)=CC1=O"], "synonym": ["Acifran", "Acifranum", "AY-25,712", "AY-25712", "Reductol", "Acifran"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJDLYZAOTHNUJX-UHFFFAOYSA-N", "SMILES:CC1(c2csc(Br)c2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPZPZVVRVYTIHX-UHFFFAOYSA-N", "SMILES:CC1(c2csc(Cl)c2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNWGOUJBCKZULC-UHFFFAOYSA-N", "SMILES:Cc1cc(C2(C)OC(C(=O)O)=CC2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMKNMLFSCDCNTE-UHFFFAOYSA-N", "SMILES:CC1(c2cccc(Br)c2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRUPRIDVEUNNIP-UHFFFAOYSA-N", "SMILES:CC1(c2ccsc2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFPAONQFZGAYEZ-UHFFFAOYSA-N", "SMILES:Cc1sc(C2(C)OC(C(=O)O)=CC2=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVRQQOEOAUGSS-UHFFFAOYSA-N", "SMILES:Cc1csc(C2(C)OC(C(=O)O)=CC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFHOBUUFHAIJY-UHFFFAOYSA-N", "SMILES:CC1(c2cc(Br)cs2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXRNPXRNTIDHKJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(C)OC(C(=O)O)=CC2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIUBTTBLZOOEFX-UHFFFAOYSA-N", "SMILES:CC1(c2ccc(Cl)s2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZAVHIWMBRHRGF-UHFFFAOYSA-N", "SMILES:CC1(c2cccs2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL345714", "category": ["biolink:ChemicalEntity"], "name": "ACIPIMOX", "xref": ["InChIKey:DJQOOSBJCLSSEY-UHFFFAOYSA-N", "SMILES:Cc1cnc(C(=O)O)c[n+]1[O-]"], "synonym": ["Acipimox", "Acipimox", "Acipimox", "Acipimox", "NSC-759818", "Olbetam"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL573", "category": ["biolink:ChemicalEntity"], "name": "NIACIN", "xref": ["InChIKey:PVNIIMVLHYAWGP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccnc1"], "synonym": ["Nicotinic acid", "Nicotinic acid", "Niacin", "Nicotinic acid", "Acide nicotinique", "Acido nicotinico", "Nicotinic acid", "Acidum nicotinicum", "Niacin", "Niacin extended release", "Nicotinate", "Nicotinic acid", "Vitamin b3", "NSC-169454", "Niacin", "Niacin component of advicor", "Niacin component of simcor", "Niacin td", "Niacor", "Niaspan", "Niaspan er", "Niaspan titration starter pack", "Nicangin", "Nicolar", "Wampocap"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL373752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJRXFRPWDMVTLR-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(C)OC(C(=O)O)=CC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIOPESNBNCSBLX-UHFFFAOYSA-N", "SMILES:CC1(c2cccc(C(F)(F)F)c2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUOYXUKHQBGESB-UHFFFAOYSA-N", "SMILES:CCc1cccc(C2(C)OC(C(=O)O)=CC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOXNSDQVISINNS-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2(C)OC(C(=O)O)=CC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKQNKXFEZQYQP-UHFFFAOYSA-N", "SMILES:CC1(c2cccc(I)c2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCWNQFBOTWDFNR-UHFFFAOYSA-N", "SMILES:CC1(c2cccc(Cl)c2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOJHYLVLSDXLQ-UHFFFAOYSA-N", "SMILES:CC1(c2cccc(F)c2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZXUIFUBIDTNOU-UHFFFAOYSA-N", "SMILES:CC1(c2ccc(F)cc2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJKPKCBMUEMHQ-UHFFFAOYSA-N", "SMILES:CC1(c2ccccc2F)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXBEPHGSHCMBN-UHFFFAOYSA-N", "SMILES:CC1(c2cc(F)cc(F)c2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NINDTCSJSZFQTN-UHFFFAOYSA-N", "SMILES:CC1(c2c(F)cccc2F)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFCWTNPYAANPJO-UHFFFAOYSA-N", "SMILES:CC1(c2ccc(F)c(F)c2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZQHSNYXCFYODD-UHFFFAOYSA-N", "SMILES:CC1(c2ccc(F)cc2F)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLWVUJBQWNYFGM-UHFFFAOYSA-N", "SMILES:CC1(c2cc(Cl)ccc2Cl)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWWTURDCJBNZDY-UHFFFAOYSA-N", "SMILES:CC1(c2ccco2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBLGWSXFJWTQZ-UHFFFAOYSA-N", "SMILES:CC1(c2cccnc2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSGORNHMKJGII-UHFFFAOYSA-N", "SMILES:CC1(C2=CCCCC2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDRXFNRHMPVZBO-UHFFFAOYSA-N", "SMILES:CC1(C2=CCCC2)OC(C(=O)O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKDWWUTZAMIMJD-UHFFFAOYSA-N", "SMILES:O=C(O)C1=CC(=O)C2(CCc3ccccc32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHZZFNDVLWPTL-UHFFFAOYSA-N", "SMILES:CCC1(c2ccccc2)OC(C(=O)O)=CC1=O"]}
{"name": "Hydroxycarboxylic acid receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4421"], "id": "UniProtKB:P49019", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISZIRXMFUSQQOS-NDXORKPFSA-N", "SMILES:C#C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1720855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITFBYYCNYVFPKD-FMIDTUQUSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093059", "category": ["biolink:ChemicalEntity"], "name": "BARDOXOLONE", "xref": ["InChIKey:TXGZJQLMVSIZEI-UQMAOPSPSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "synonym": ["Bardoxolone", "Bardoxolona", "Bardoxolone", "Bardoxolone", "CDDO", "RTA 401", "RTA-401", "RTA401", "Bardoxolone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL356121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQDNSKXHOWSOHH-YSSFQJQWSA-N", "SMILES:CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTMYERKRMGVSLQ-HXPMCKFVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAFLLPPKCMFKQA-HYORBCNSSA-N", "SMILES:C[C@@H]1NC(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOCMBNQIGHKLZ-VOJFVSQTSA-N", "SMILES:O=C1C2=C(C(=O)c3ccccc31)[C@]1(CS2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOCMBNQIGHKLZ-BBATYDOGSA-N", "SMILES:O=C1C2=C(C(=O)c3ccccc31)[C@@]1(CS2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOCMBNQIGHKLZ-ZMZPIMSZSA-N", "SMILES:O=C1C2=C(C(=O)c3ccccc31)[C@]1(CS2)NC(=O)[C@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPZZVDVJQVMRJR-XXFAHNHDSA-N", "SMILES:O=C1C2=C(C(=O)c3ccccc31)[C@@]1(CS2)NC(=O)[C@H](CS)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRNOXFURUJFGV-BBATYDOGSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOCMBNQIGHKLZ-ADLMAVQZSA-N", "SMILES:O=C1C2=C(C(=O)c3ccccc31)[C@@]1(CS2)NC(=O)[C@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWQYLDSMPYWAPW-HHHXNRCGSA-N", "SMILES:COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBUPAIRVVQWJCN-GDLZYMKVSA-N", "SMILES:COc1cc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFDSGYXWDYUDR-GDLZYMKVSA-N", "SMILES:COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCAIAEDSMBLLML-HHHXNRCGSA-N", "SMILES:COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTQTXIJQSBULD-AREMUKBSSA-N", "SMILES:COc1ccccc1Cn1c(Cc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHYWTUAPSEVRF-GDLZYMKVSA-N", "SMILES:COc1ccccc1Cn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCJVKIMYXMJFFZ-WJOKGBTCSA-N", "SMILES:COc1ccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQQKOSVXWTDCN-WJOKGBTCSA-N", "SMILES:COc1cc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACNDZZGAEOBNLV-MUUNZHRXSA-N", "SMILES:COc1cc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWCRSIZVYPVNK-HHHXNRCGSA-N", "SMILES:COc1cccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHADNJZIQEPNZ-AREMUKBSSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHSHAJHTRTUQE-GDLZYMKVSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIZZKBPYASAOGT-SSEXGKCCSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLDKPBHSNVITF-AREMUKBSSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNYSQGTZNAYGPU-AREMUKBSSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQXCGLSXYUOJX-HHHXNRCGSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNMBACJZJEKQV-GDLZYMKVSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YALBXFIFOCHJSI-RUZDIDTESA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBALUIJOHCLMX-HHHXNRCGSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZNFETDRGVQWBQ-SSEXGKCCSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REABAAMVKCLEJA-GDLZYMKVSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXBBFSDVDGTOMG-HHHXNRCGSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFVSHMIWUKJRKV-MUUNZHRXSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPQAMNHYIYBFL-MGBGTMOVSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHUYUKIMSORCD-PSXMRANNSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQGFWVSHFMZYIX-SSEXGKCCSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFSGLZYSWHPYBC-UUWRZZSWSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQZIQGTLPDDKE-MGBGTMOVSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVJSNYBRUNZPPQ-WJOKGBTCSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLFNAIFLVINSMV-RUZDIDTESA-N", "SMILES:CCCCCCn1c(Cc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKLZSJRKKGRJA-MUUNZHRXSA-N", "SMILES:CCCCCCn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKUJVBJRXHYFR-GDLZYMKVSA-N", "SMILES:CCCCCCn1c(CCCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMGDAVUTWCURS-GDLZYMKVSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAHJKRUYXIYKQ-JGCGQSQUSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXUIOKRAFFICC-HHHXNRCGSA-N", "SMILES:Cc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLIORDNTJDEFAZ-MUUNZHRXSA-N", "SMILES:Cc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFUSMGPMCUVFH-RUZDIDTESA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBUHPSWJFKQUJC-AREMUKBSSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNXNSJSFRCLLIC-GDLZYMKVSA-N", "SMILES:COc1ccc(CCn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQYAMFHJTCLSLB-RUZDIDTESA-N", "SMILES:CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBNEYSJJSAOQB-AHKZPQOWSA-N", "SMILES:Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXKGRPSESCVJB-RBJONROZSA-N", "SMILES:COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPQFLLVGLESRX-PMACEKPBSA-N", "SMILES:O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2CC[C@@H](O)CCC2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUOWFXIMDPFSC-UNERYHBUSA-N", "SMILES:O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSQGDFANXYXTME-ODYMAQSMSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNWSLIWEXGOQR-OALUTQOASA-N", "SMILES:CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDFLTRXXHVSTHR-OCSRFSMESA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDTVAEAOOFGOEC-OZVGAOPWSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKPQDCQTRREQV-IALFWVKVSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSJYHSXLYISPF-JFDVKVQISA-N", "SMILES:O=C(O)COCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXWOQZGNLEQRU-AJKRIUKHSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPMUDZOEKPBQZ-NSNJOPQOSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSRQHHMLDHYBU-OZVGAOPWSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCOCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPRCXIXYZWERG-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)c(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17127", "category": ["biolink:ChemicalEntity"], "name": "SCH-58261", "xref": ["InChIKey:UTLPKQYUXOEJIL-UHFFFAOYSA-N", "SMILES:Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBVRFFOGAIOFTE-HUUCEWRRSA-N", "SMILES:Nc1nc(NC[C@H]2CC[C@@H]3CN(c4ncccn4)CCN3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBVRFFOGAIOFTE-LSDHHAIUSA-N", "SMILES:Nc1nc(NC[C@@H]2CC[C@@H]3CN(c4ncccn4)CCN3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWAOHIHABZNLAE-QWHCGFSZSA-N", "SMILES:COC(=O)c1nc(Cl)c(N2CCN3C[C@H](CNc4nc(N)n5nc(-c6ccco6)nc5n4)CC[C@@H]3C2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBCJOWCRGLEVGM-QFBILLFUSA-N", "SMILES:Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)cc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAHYPELYQYAPRU-MAUKXSAKSA-N", "SMILES:Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIOPNXEQKHQDI-WMLDXEAASA-N", "SMILES:Nc1nc(NC[C@@H]2CC[C@@H]3CN(c4cc(F)cc(F)c4)CCN3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQLBFMGYPCTIQ-CVEARBPZSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CNc4ncccn4)CC[C@H]3C2)cc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYXMUMPLDRAAD-GJZGRUSLSA-N", "SMILES:Nc1nc(N2CCN3C[C@H](CNc4ncccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYXMUMPLDRAAD-CABCVRRESA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CNc4ncccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJAYFBZBYNVSRV-MSOLQXFVSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CNCc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JADPCYBCKXAUQF-RPWUZVMVSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CN(Cc4ccncc4)Cc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWUNBIALAFOFR-MSOLQXFVSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CNCc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYJIMBAFFAEPW-ZEQRLZLVSA-N", "SMILES:Nc1nc(N2CCN3C[C@H](CN(Cc4cccnc4)Cc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYJIMBAFFAEPW-RPWUZVMVSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CN(Cc4cccnc4)Cc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBQGPLQKTKHTIL-QPPBQGQZSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CN(Cc4ccccn4)Cc4ccccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGHFOSJRREENZ-UXHICEINSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CN(Cc4ccco4)Cc4ccco4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLARWIPUMWYZST-CVEARBPZSA-N", "SMILES:Cc1nn(C)c(Cl)c1CNC[C@H]1CC[C@H]2CN(c3nc(N)n4nc(-c5ccco5)nc4n3)CCN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSXPZHISTVUSW-UXHICEINSA-N", "SMILES:Cc1nn(C)c(Cl)c1CN(Cc1c(C)nn(C)c1Cl)C[C@H]1CC[C@H]2CN(c3nc(N)n4nc(-c5ccco5)nc4n3)CCN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMQUITKHVXQQNT-QAPCUYQASA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CNCc4ccc(F)cc4F)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXUIXVKKIUXSY-STQMWFEESA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](Cn4cnnn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYUVXSPWYZTIEW-KBPBESRZSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](Cn4cncn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJAYVTJZMSGLEZ-CABCVRRESA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](Cn4ccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2373304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGVXQSIKBKEQK-LSLKUGRBSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4ncnc5[nH]ncc45)CC[C@@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGXZPFVUHPXAOX-SJORKVTESA-N", "SMILES:Nc1nc(N2CCN3C[C@H](COc4ncnc5ccccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGXZPFVUHPXAOX-IRXDYDNUSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4ncnc5ccccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQXFZCGWDUOTIA-CVEARBPZSA-N", "SMILES:Nc1nc(N2CCN3C[C@H](COc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQXFZCGWDUOTIA-HOTGVXAUSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVKOPDWEMXIWRT-DLBZAZTESA-N", "SMILES:Nc1cc(N2CCN3[C@@H](COc4cccnc4)CCC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVFGJJNDRNHLI-HOTGVXAUSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFAKYCVMRPFBH-XLIONFOSSA-N", "SMILES:Nc1nc(N2CCN3C[C@H](COc4cc5ccccc5cn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFAKYCVMRPFBH-PXNSSMCTSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4cc5ccccc5cn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZEPGKSOBQLTNB-MJGOQNOKSA-N", "SMILES:Nc1nc(N2CCN3C[C@H](COc4ccc5ccccc5n4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSSZWNOKWNALH-CVEARBPZSA-N", "SMILES:Nc1nc(N2CCN3C[C@H](COc4ccccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSSZWNOKWNALH-HOTGVXAUSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4ccccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBDWEHSOAXQGLV-MJGOQNOKSA-N", "SMILES:Nc1nc(N2CCN3C[C@H](COc4cccc5cnccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBDWEHSOAXQGLV-HKUYNNGSSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4cccc5cnccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQULNQNPBSSWGR-RBUKOAKNSA-N", "SMILES:Nc1cc(N2CCN3[C@@H](COc4ccc5[nH]ccc5c4)CCC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWSLUZVZYCYUDL-VQTJNVASSA-N", "SMILES:Nc1cc(N2CCN3[C@@H](COc4ccc5cccnc5c4)CCC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTQJNHKPUQFER-HKUYNNGSSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4ccc5ncccc5c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWZNMVWFXLDPBH-HOCLYGCPSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4ccc(F)cc4F)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZFQVIZUJKVOTM-RDJZCZTQSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4ccc(F)cc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARQWWRBQXFTDH-WBVHZDCISA-N", "SMILES:Nc1nc(N2CCN3C[C@H](COc4cccc(F)c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARQWWRBQXFTDH-RDJZCZTQSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4cccc(F)c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RARVYCNOHVCVKJ-HOTGVXAUSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4ccccc4F)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWRYELCNPJLRF-SJORKVTESA-N", "SMILES:COc1ccc(OC[C@@H]2CC[C@H]3CN(c4nc(N)n5nc(-c6ccco6)nc5n4)CCN3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWRYELCNPJLRF-IRXDYDNUSA-N", "SMILES:COc1ccc(OC[C@H]2CC[C@H]3CN(c4nc(N)n5nc(-c6ccco6)nc5n4)CCN3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFPQIPWCRZDEB-DLBZAZTESA-N", "SMILES:Nc1nc(N2CCN3[C@@H](COc4ccccc4)CCC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYOUFWURNXRNU-SJORKVTESA-N", "SMILES:Nc1nc(N2CCN3C[C@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBHYTGVXJMZQY-ROUUACIJSA-N", "SMILES:Nc1cc(N2CCN3C[C@@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYOUFWURNXRNU-IRXDYDNUSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVJCHFPWEHYAGF-NWDGAFQWSA-N", "SMILES:Nc1nc(N2CCN3[C@@H](CO)CCC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJBVAFBIRUTBT-QWHCGFSZSA-N", "SMILES:Nc1cc(N2CCN3[C@@H](CO)CCC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVHMECAORVFDFD-QWHCGFSZSA-N", "SMILES:Nc1nc(N2CCN3[C@@H](CO)CCC[C@H]3C2)cc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYWSRIKBZVIJHQ-RYUDHWBXSA-N", "SMILES:NC[C@@H]1CC[C@H]2CN(c3nc(N)n4nc(-c5ccco5)nc4n3)CCN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXXCDQGHOXYUBX-STQMWFEESA-N", "SMILES:NC[C@@H]1CC[C@H]2CN(c3cc(N)n4nc(-c5ccco5)nc4n3)CCN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFSWKJIUQZEKQ-NEPJUHHUSA-N", "SMILES:Nc1nc(N2CCN3C[C@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHNXCOAFMEGDZ-OLZOCXBDSA-N", "SMILES:Nc1cc(N2CCN3C[C@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDHOEUVHHSDMO-OLZOCXBDSA-N", "SMILES:Nc1nc(N2CCN3C[C@H](CO)CC[C@H]3C2)cc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYWSRIKBZVIJHQ-NEPJUHHUSA-N", "SMILES:NC[C@H]1CC[C@H]2CN(c3nc(N)n4nc(-c5ccco5)nc4n3)CCN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXXCDQGHOXYUBX-OLZOCXBDSA-N", "SMILES:NC[C@H]1CC[C@H]2CN(c3cc(N)n4nc(-c5ccco5)nc4n3)CCN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTCVAOWXLLINN-OLZOCXBDSA-N", "SMILES:NC[C@H]1CC[C@H]2CN(c3cc4nc(-c5ccco5)nn4c(N)n3)CCN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFSWKJIUQZEKQ-RYUDHWBXSA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHNXCOAFMEGDZ-STQMWFEESA-N", "SMILES:Nc1cc(N2CCN3C[C@@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDHOEUVHHSDMO-STQMWFEESA-N", "SMILES:Nc1nc(N2CCN3C[C@@H](CO)CC[C@H]3C2)cc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPJDAMZDKYHOPV-IRXDYDNUSA-N", "SMILES:Nc1nc(N2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEMYZPCGEHEJTN-JTQLQIEISA-N", "SMILES:Nc1nc(N2CCN3CCC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHFKWFDVWIFPQJ-NSHDSACASA-N", "SMILES:Nc1cc(N2CCN3CCC[C@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2096851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVSAWLRBJEGLH-NSHDSACASA-N", "SMILES:Nc1nc(N2CCN3CCC[C@H]3C2)cc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2096850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEMYZPCGEHEJTN-SNVBAGLBSA-N", "SMILES:Nc1nc(N2CCN3CCC[C@@H]3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVSAWLRBJEGLH-LLVKDONJSA-N", "SMILES:Nc1nc(N2CCN3CCC[C@@H]3C2)cc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXRFXIIGLMCJFC-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN3CCCCC3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNDBFNCGBUWYHT-UHFFFAOYSA-N", "SMILES:Nc1cc(N2CCN3CCCCC3C2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNJCLZSWRSXCMM-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN3CCCCC3C2)cc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL173672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPLILVYSXPQBM-GFCCVEGCSA-N", "SMILES:Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL183706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSOACFIAXDGTQW-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APMPCPAXNMGHPX-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOIIHIYVLNWQF-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccc(C(C)=O)cc3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUYOZHRTHKAKTL-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAWAGJVGOIPRSX-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOSLGBBJZIYHE-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQGPOWORKUTND-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQRGXJHFQEOOM-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(Br)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XADGZRXEEIMQPN-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVRIYQUZSCWOSG-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVYELQBTIBCMU-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEARTZKNFQZDKX-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(OC)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXKRBPWFRHICR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLPSHCJZZHNLN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3COCCO3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKAJSRFEDJSVQV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3cc(F)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYHLLXUPTFDIMK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGWNGSCESDXINL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3cccs3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYOPRPVODEZLY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3cc(F)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLFHOBLUEABFEX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUAMSTWVTDGQIR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3OCCO3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEZZEXASTZNJG-UHFFFAOYSA-N", "SMILES:C=CCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKDGHGYNWFKPAF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(CC3CC3)c3cc(F)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXUDFDAMGGOQA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(CC3CC3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNYSGLYIJGMTP-UHFFFAOYSA-N", "SMILES:CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRDBIHCGXAAID-UHFFFAOYSA-N", "SMILES:COCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVAJRQDSXRFOTR-UHFFFAOYSA-N", "SMILES:COCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISUSZKGPGNBNT-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDWGPVKQXKUYMD-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(Cc3ccccc3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONLRIYBCDNTLSC-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccc(C(=O)O)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONHPJBHRJQJHT-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3cccc(C(=O)O)c3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSZKBDNKHVSEN-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(Cc3cc(C(=O)O)ccc3Br)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTIORDULYOQUBE-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(Cc3ccc(F)c(C(=O)O)c3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOPLTUACIQBLB-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKBJEXJAGCSGRL-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZRHKTJJMJCAGM-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(Cc3cccc(OCC(=O)O)c3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEABMFNRUQJING-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(Cc3ccccc3OCC(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCRHCCYFCVMCE-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccsc3C(=O)O)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSXGBBQVLGKRD-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4cc(F)ccc34)CC2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWBYHPBHNVEKU-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4cc(F)ccc34)CC2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZERWJGDOIKPLKM-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLADVISFXRAPMA-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3cn(Cc4ccoc4)c4cc(F)ccc34)CC2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBZQKOWWVQHOV-UHFFFAOYSA-N", "SMILES:COCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNSYFJYJHVDOEP-UHFFFAOYSA-N", "SMILES:COCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKZGSUQOORKGT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCYYVKHBBLUDY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZMRJEDGNAGSCT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHIEGLAJRURRH-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2cc(OC)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJLZUVFWGUUTM-UHFFFAOYSA-N", "SMILES:COCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJYHTDMGGZORQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccoc3)c3cc(F)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMOAWDWBPDLQAJ-UHFFFAOYSA-N", "SMILES:CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOSJOMPTRDTHQ-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHMJLNAXDAMZDZ-GOSISDBHSA-N", "SMILES:COC(=O)c1ccc(C)cc1-c1ccc([C@@H](C)Nc2nccc(C)c2NC(=O)CC#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKNSQMRSBCQXFM-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKZDJLVLJDLOGQ-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDODQIRPEQMWDH-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2-c2nnnn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMBKLIDWTOUDSR-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUNDPIMQGIUFO-CQSZACIVSA-N", "SMILES:Cc1nc(-c2c(F)cccc2-c2ccc([C@@H](C)Nc3nccc(Cl)c3NC(=O)CC#N)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJWBYXWZGMQHS-CQSZACIVSA-N", "SMILES:Cc1noc(-c2c(F)cccc2-c2ccc([C@@H](C)Nc3nccc(Cl)c3NC(=O)CC#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUTKNBYEVNZQBV-CQSZACIVSA-N", "SMILES:COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKZGOAMUXQFJR-CQSZACIVSA-N", "SMILES:COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFGWMUJUAMFDHR-CQSZACIVSA-N", "SMILES:COC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILRJPMFUBNRBH-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1"]}
{"name": "B1 bradykinin receptor", "xref": ["CHEMBL.TARGET:CHEMBL4613"], "id": "UniProtKB:P97583", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "B1 bradykinin receptor", "xref": ["CHEMBL.TARGET:CHEMBL4087"], "id": "UniProtKB:P48748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFWFPVBIHHTGX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZRKRPYGJABPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVQQBAOOOCQIE-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCILSIOUGDWQSA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMOYOBUDEWMPCL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOARGGKKYZIYSU-UHFFFAOYSA-N", "SMILES:CCC(CC)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLCNDGHLHOXEDS-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXDIUBGJWKDMMT-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGCKGTMTDBKSHH-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1"], "synonym": ["LUF-5737"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USYDGSXEKYPSDH-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXLAZUQYPCBKI-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1"], "synonym": ["LUF-5735"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZXIPRTZIQWIHR-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCIIHIXQUEUCV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYALFPUQWRIWML-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAAODHHMHPMCPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKAQSVTVQTIDD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIIIIMMXDNQSGZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUOMRGHKANFJN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOAGLWXCVMDEEN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRLXAMBTUIRRBL-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"], "synonym": ["LUF-5764"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCBHRQSYMTEIS-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWPSSUJQRJLQHE-UHFFFAOYSA-N", "SMILES:CCC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"], "synonym": ["LUF-5767"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMYSFVQFZFGCMP-UHFFFAOYSA-N", "SMILES:CCC(CC)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPWFOJGRCESTC-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONJOWWUQGQUDTK-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJUVVGPOXGXRAI-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBJLQDSZSYHXLE-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLZXPLJINFGKI-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBASLSZDCISGS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFPQKORTZOVLZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBENQPPTPPATJL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2369958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJVHAFXBCEOKB-FKBYEOEOSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKBJCPFUZMWEMK-TXIPYEPDSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(=O)O)C(=O)NCCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUTHHZUJFXVHNS-PIGVCAKBSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(=O)O)C(=O)NCCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVDDFYKQRITLY-QHOLAWBISA-N", "SMILES:CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)CC2C[C@H]([C@@H](CC)OC)OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@H]4CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3"]}
{"name": "RAS guanyl-releasing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5953"], "id": "UniProtKB:O95267", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMOOWIVCGKXNP-YBRJTKITSA-N", "SMILES:CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)CC2C[C@H]([C@H](O)CC)OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@H]4CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223661", "category": ["biolink:ChemicalEntity"], "name": "BYROSTATIN 1", "xref": ["InChIKey:GVQHWXLUZSJNJI-YZLRBXBPSA-N", "SMILES:CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](C(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279115", "category": ["biolink:ChemicalEntity"], "name": "PHORBOL MYRISTATE ACETATE", "xref": ["InChIKey:PHEDXBVPIONUQT-RGYGYFBISA-N", "SMILES:CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O"], "synonym": ["Phorbol 12-myristate 13-acetate diester", "Phorbol 12-myristate 13-acetate", "Phorbol myristate acetate", "Pma (phorbol ester)", "Tetradecanoylphorbol acetate", "Tpa (phorbol ester)", "NSC-262244"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL178668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGKZJFXNJFFZOB-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKCWWVHNSBBMSH-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(NC(=O)C2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNHVPKMVWPMEI-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(NC(=O)C2(NC(=O)OCC(C)C)CCc3cccc(Cl)c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCQODYDMUXEBFQ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(NC(=O)C2(NC(=O)OCC(C)C)CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZUGUZSLYBDIX-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL183123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWHUAKCFDRLXCV-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(NC(=O)C2CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYSYHSSBDVJSM-KRWOKUGFSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL224720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMNPJXKQVTQTR-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDLYEMLMPPYKCH-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1sc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJHDZYVIURRTBF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHZTRSKNATTNM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXGNTXCFTVWCAS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1ccc(CN2CCC(C(=O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUUCTGBHIGGOH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECRLAZSZWCWDE-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROTPOJPBVJTWLI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCNCCCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL114606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRFKWQGGENFBFO-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CCC(N)(CO)COP(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314854", "category": ["biolink:ChemicalEntity"], "name": "FINGOLIMOD", "xref": ["InChIKey:KKGQTZUTZRNORY-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1"], "synonym": ["Fingolimod", "Fingolimod", "Fingolimod", "Fingolimod", "FTY-720"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL426191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEWHUZLAFGAHQV-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2cc(Cl)c(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGFVGWMDSCSXKT-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CC(C(=O)O)C2)cc(C)c1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSDAUWBRRWRFZ-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVKVCJXTRKKPRQ-UHFFFAOYSA-N", "SMILES:CCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASTHITQJQQXIDF-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXRZLMJNWYNPW-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFAXNLVTHDCEY-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXDATLHTUEDJA-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGGLMGHJHZWEKX-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPANWCJVYBGZFM-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCUVDYUSQOEZTJ-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGDUQFMYMKUVHT-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430239", "category": ["biolink:ChemicalEntity"], "name": "MELATONAN", "xref": ["InChIKey:JDKLPDJLXHXHNV-MFVUMRCOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2369131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELKUTCQMPOERU-JGLOYJFXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELKUTCQMPOERU-QIMXYVSTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2304246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELKUTCQMPOERU-GDIOOMNQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2304248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELKUTCQMPOERU-CFQMNPQXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELKUTCQMPOERU-QYVMTWQBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2304247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELKUTCQMPOERU-IQOAFJSOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2304250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELKUTCQMPOERU-FKOFVIELSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214332", "category": ["biolink:ChemicalEntity"], "name": "INTERMEDINE", "xref": ["InChIKey:WHNFPRLDDSXQCL-UAZQEYIDSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C"], "synonym": ["Intermedine", "Intermedina", ".alpha.-melanotropin", ".alpha.-melanotropin (human)", ".alpha.-melanotropin (ox)", ".alpha.-melanotropin (sheep)", ".alpha.-msh", "Alpha-melanocyte stimulating hormone", "Alpha-msh", "Intermedin", "Intermedine", "Melanophore-stimulating hormone", "Melanotropin", "Melanotropin alpha", "Melantropin", "N-acetyl-acth(1-13)-amide"], "chembl_natural_product": true}
{"name": "Melanocortin receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL3719"], "id": "UniProtKB:P56450", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNEVNNMBIGDVSA-WUFINQPMSA-N", "SMILES:CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H](N)Cc3c[nH]cn3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL339053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLCHESOMJVGDSJ-LOYHVIPDSA-N", "SMILES:O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL143131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOSMZJCDBAMZFP-VSGBNLITSA-N", "SMILES:O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cc2nnn[nH]2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJYUZXAPJHBRJR-FQLXRVMXSA-N", "SMILES:Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMLEGOMDNGINA-FQLXRVMXSA-N", "SMILES:Cn1nnc(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL340355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHOEKKVDQTOOR-FQLXRVMXSA-N", "SMILES:O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL183434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWHBKTUULEGMJ-KAYWLYCHSA-N", "SMILES:NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSSBJZNAQLSMID-CZNDPXEESA-N", "SMILES:O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKBPPVVSQKSKNV-AREMUKBSSA-N", "SMILES:NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPPSVSXPJZEOSH-AREMUKBSSA-N", "SMILES:COCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRAFEEBFOIOLGS-AREMUKBSSA-N", "SMILES:NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEUMEJHOKABUMX-RUZDIDTESA-N", "SMILES:NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVAOVHVGQNSIX-CVZNUHMCSA-N", "SMILES:CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPGUSBGFHRVNMC-DOYJQPJHSA-N", "SMILES:N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTHAZNTRBRTQH-QJMCPCMJSA-N", "SMILES:O=C1C[C@@H](N2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMHMYJMIKXCDK-ODRDEDCPSA-N", "SMILES:CS(=O)(=O)N1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLVAGOJKPXFPJ-WNWUTZSISA-N", "SMILES:CC(=O)N1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVMVCHPCLLNJU-ODRDEDCPSA-N", "SMILES:CN1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DETYPVYSWRSMQR-KYXYXWHUSA-N", "SMILES:O=C1C[C@@H](N2CCNCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEENKHJJSICYPD-ODRDEDCPSA-N", "SMILES:NC1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASEHDKSOPQBKAO-ODRDEDCPSA-N", "SMILES:O=C1C[C@@H](N2CCCCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZOXDTUEGQWADF-RVLOQZQWSA-N", "SMILES:O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJWVVBVFWSHGR-UAMZLAIYSA-N", "SMILES:O=C1C[C@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJWVVBVFWSHGR-KYXYXWHUSA-N", "SMILES:O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOQTXNSVZQBLKS-HOWKLTHKSA-N", "SMILES:O=C1C[C@H](NC2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOQTXNSVZQBLKS-ODRDEDCPSA-N", "SMILES:O=C1C[C@@H](NC2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSMURYWPGARIKS-HOWKLTHKSA-N", "SMILES:O=C1C[C@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSMURYWPGARIKS-ODRDEDCPSA-N", "SMILES:O=C1C[C@@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVVNMAFMROGBJ-ACVDBWASSA-N", "SMILES:N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVVNMAFMROGBJ-FXWWNYPBSA-N", "SMILES:N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWCPOLTRZEWQE-KCXYBRFRSA-N", "SMILES:N[C@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWCPOLTRZEWQE-DOYJQPJHSA-N", "SMILES:N[C@@H]1CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL420308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPGUSBGFHRVNMC-KCXYBRFRSA-N", "SMILES:N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSORHCPVAZEEKB-RJKGWOMYSA-N", "SMILES:O=C1C[C@@H](N2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJSAKYLSCHVDCQ-MGONOCMRSA-N", "SMILES:O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL435324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRRYSNSLFNBYDL-IGBKUBFESA-N", "SMILES:O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXMTDOSYPOSDS-QJMCPCMJSA-N", "SMILES:O=C1C[C@@H](NC(=O)CN2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZCYLTFYSMEGDY-QJMCPCMJSA-N", "SMILES:O=C1C[C@@H](NC(=O)CN2CCC(N3CC[S+]([O-])CC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGHTWDQPGSOHJN-BPSUTHQGSA-N", "SMILES:O=C1C[C@@H](NC(=O)CN2CCC(N3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFUZGJXYGIQSB-ODRDEDCPSA-N", "SMILES:NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAEFQRFIAQDXBM-ODRDEDCPSA-N", "SMILES:O=C1C[C@@H](NC(=O)CN2CC[S+]([O-])CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHGHXNWCIDSTKU-WNWUTZSISA-N", "SMILES:NC(=O)C1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKSTWGKPGMEST-WNWUTZSISA-N", "SMILES:CN1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSTUFFGVCVUJCF-QSZOUWMRSA-N", "SMILES:O=C1C[C@@H](NC(=O)CN2CCC[C@H]2CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKKYOLHPNEYSN-OGICNVKRSA-N", "SMILES:O=C1C[C@@H](NC(=O)CN2CCC(O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQDLHBRAXSVRG-ODRDEDCPSA-N", "SMILES:O=C1C[C@@H](NC(=O)CN2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBRMLVNUUIMOQW-PFBPGSCZSA-N", "SMILES:O=C1CC(NC(=O)[C@@H](O)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQKCKCFGSNOTB-QOGIZEENSA-N", "SMILES:O=C1C[C@@H](NC[C@H](O)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STZVTKVLYSZMOF-ODRBYXJWSA-N", "SMILES:O=C1C[C@@H](NC[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STZVTKVLYSZMOF-HMZMCUBZSA-N", "SMILES:O=C1C[C@@H](NC[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGMTQWZNZMJMO-TZRHQADPSA-N", "SMILES:O=C1C[C@@H](NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPUGSOCPQGURG-WEOWHECGSA-N", "SMILES:CC(=O)N[C@@H](CN[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)[C@@H](O)[C@H](O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODHZYCKVWXQJI-GKZILGEPSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPZJPUVIAQOZDE-WSFTWOMWSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)CCC(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFBBKJCTYBFBHU-WNWUTZSISA-N", "SMILES:CN1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLDLHEIGLHGNTE-ODRDEDCPSA-N", "SMILES:NS(=O)(=O)N1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABISVCMKGAFRBO-WNWUTZSISA-N", "SMILES:CS(=O)(=O)N1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POMMOISAYYMACN-OGICNVKRSA-N", "SMILES:CN(C1CCOCC1)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMSSCTNYYHRMNN-ODRDEDCPSA-N", "SMILES:O=C1C[C@@H](NC2CCS(=O)(=O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUDLFCKNYRAPFJ-HKFLFGGTSA-N", "SMILES:O=C1C[C@@H](NC2CC[S+]([O-])CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELLXVGFPXUZPW-ODRDEDCPSA-N", "SMILES:O=C1C[C@@H](NC2CCSCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"name": "Neuromedin-K receptor", "xref": ["CHEMBL.TARGET:CHEMBL3799"], "id": "UniProtKB:P30098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJVPVGVFUQQGQ-DQBMGFJSSA-N", "SMILES:O=S(=O)(Oc1ccccc1)[C@H]1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFDCTBOVDXIEET-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHCQNXABXWVJD-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2cc(=O)c3c(O)cccc3o2)cc1OC"]}
{"name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "xref": ["CHEMBL.TARGET:CHEMBL5393"], "id": "UniProtKB:Q9UNQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZFHIDSAYZMLL-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2cc(=O)c3c(O)cccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437430", "category": ["biolink:ChemicalEntity"], "name": "HUMAN UROTENSIN II", "xref": ["InChIKey:HFNHAPQMXICKCF-FDMLFMOBSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXLUBANOZQJZFE-NMBRUAJBSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXLUBANOZQJZFE-MSYIYWSESA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULUWBKLLNAQIL-KVNHVDLWSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223905", "category": ["biolink:ChemicalEntity"], "name": "URANTIDE", "xref": ["InChIKey:VXLUBANOZQJZFE-QVKHRKAHSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULUWBKLLNAQIL-CKJQSHBDSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXLUBANOZQJZFE-UEZGWKIOSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQSCKYAATADRBI-XOSZKALNSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPZSQYTMKMNRX-YPUYICQWSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPZSQYTMKMNRX-POSKKVNKSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQSCKYAATADRBI-NCQVFETRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"name": "Urotensin-2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL4921"], "id": "UniProtKB:P49684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFHZHCKWTBGPFD-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL188", "category": ["biolink:ChemicalEntity"], "name": "WIN-552122", "xref": ["InChIKey:HQVHOQAKMCMIIM-HXUWFJFHSA-N", "SMILES:Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL376700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXBPZJQQSNIRA-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVHZRLVLYCCSG-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUIPKPCEPDNQT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)CCCc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCMCTYESCNCKV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)CCCc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQWIPSXGRNSXMH-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Br)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMJJGVJZNVHSRS-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1ccc(Cl)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFNNKXYJJHGKA-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1c(Cl)cccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUMIDLZWMKIPM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCc2cc(Cl)ccc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADAPNBZDCCCWBS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCc2cc(Cl)ccc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPIOLXNWOLQQSG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUJOOFPRNSDVMY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHUBPUDNYRPGD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADAVAHIZKNKQSU-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFKOFQJNBBJBM-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWQJLQKBGULBOI-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGCKWMSERCOAE-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCc1cc(Cl)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIYSCNLXRVKMMK-BQYQJAHWSA-N", "SMILES:C=CC(=O)/C=C/c1ccccc1Cl"]}
{"name": "Trypanothione reductase", "xref": ["CHEMBL.TARGET:CHEMBL5131"], "id": "UniProtKB:P28593", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5693"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEIFXINMIBYIQL-UHFFFAOYSA-N", "SMILES:O=C1N(c2ccc(Cl)cc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSODNAABVYLCPY-UHFFFAOYSA-N", "SMILES:O=C1N(c2ccccc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGWFFLZCBHWTEM-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccc(Cl)cc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCWSDRFNXROEL-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccc(Cl)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWBRSQRBYVWFQ-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccccc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYUQZYSPZLUEIG-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccccc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALTGZVPJBKOZHG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(c1ccc(I)cc1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNLJOVGVMXDOM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLQRVPXFPHDCHR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCTCUNGVDUMZHF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQLQNNIZPSPERD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUYZVNTMQHNEW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLXCCHGDBPKKAK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCECSRMTDNXFRP-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334533", "category": ["biolink:ChemicalEntity"], "name": "DEXANABINOL", "xref": ["InChIKey:SSQJFGMEZBFMNV-PMACEKPBSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(CO)C[C@H]21"], "synonym": ["Dexanabinol", "11-oh-thc", "Dexanabinol", "Sinnabidol", "(+)-HU-210", "HU-211", "PA-50211", "PRS-211007", "PRS-211007-000"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455368", "category": ["biolink:ChemicalEntity"], "name": "ANACARDIC ACID", "xref": ["InChIKey:QUVGEKPNSCFQIR-UTOQUPLUSA-N", "SMILES:C=CC/C=C\\C/C=C\\CCCCCCCc1cccc(O)c1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL224093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDKSJOJOZHEQU-UHFFFAOYSA-M", "SMILES:C[n+]1ccc(-c2ccc(SS(C)(=O)=O)cc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTDFCHSAUFJDOO-UHFFFAOYSA-N", "SMILES:O=c1nc2n(-c3ccccc3Cl)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTZJPVACCUYPRH-UHFFFAOYSA-N", "SMILES:O=c1nc2n(-c3ccccc3F)c3cccc(Cl)c3cc-2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSQRSDUTSVSBQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3c(Cl)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNMRXJZYGHPHMZ-UHFFFAOYSA-N", "SMILES:O=c1nc2n(-c3ccc(Cl)cc3)c3cccc(Cl)c3cc-2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRCGPVHRBGGGPW-UHFFFAOYSA-N", "SMILES:O=c1nc2n(-c3cccc(Cl)c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCDFRZASNHURL-UHFFFAOYSA-N", "SMILES:O=c1nc2n(-c3ccc(F)cc3)c3ccc(C(F)(F)F)cc3cc-2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGPJMOXSOJFFM-UHFFFAOYSA-N", "SMILES:O=c1nc2n(-c3cccc(F)c3)c3cccc(Cl)c3cc-2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTFZFTWKGMLWCR-UHFFFAOYSA-N", "SMILES:O=c1nc2n(-c3ccccc3Cl)c3cccc(Cl)c3cc-2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4298697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEXNACQROZXEV-TZNSAIHPSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3O[C@]3(C)CC/C=C(\\C)CC[C@@H]12"], "chembl_natural_product": true}
{"name": "Transcription factor p65", "xref": ["CHEMBL.TARGET:CHEMBL5902"], "id": "UniProtKB:Q04207", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGPYCSCVAFDEH-UHFFFAOYSA-N", "SMILES:O=C1Nc2c(cc(Br)c(Br)c2Br)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL146346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUJUUWXZAQHCNC-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCOC(CO)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL122972", "category": ["biolink:ChemicalEntity"], "name": "2-ARACHIDONOYLGLYCEROL", "xref": ["InChIKey:RCRCTBLIHCHWDZ-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OC(CO)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL373725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPKWKBSMZRQEW-YSZAJMORSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)S(=O)(=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105773", "category": ["biolink:ChemicalEntity"], "name": "PRAZARELIX ACETATE", "xref": ["InChIKey:UYXOLEHMGDKCEI-OKBORMFFSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Nc2n[nH]c(N)n2)cc1)C(=O)N[C@H](Cc1ccc(Nc2n[nH]c(N)n2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O"], "synonym": ["Azaline b", "Prazarelix acetate", "RWJ 47428", "RWJ-47428", "RWJ47428", "Prazarelix acetate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYASUQFVWOOHIK-JKWOHFGQSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)[S+]([O-])C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPMOBCPTBLZEAW-YSZAJMORSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@H](SC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPKWKBSMZRQEW-RKSVTEAUSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)S(=O)(=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYASUQFVWOOHIK-WEDCXYFKSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)[S+]([O-])C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPMOBCPTBLZEAW-RKSVTEAUSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](SC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELUBVJEWYERMJ-PGGNZVFSSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(N)=O)[S+](C)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOHGPTZCIGJAF-NNRJBHNWSA-N", "SMILES:CS[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELUBVJEWYERMJ-DDPYUAONSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)[S+](C)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOHGPTZCIGJAF-SLOMUXTRSA-N", "SMILES:CS[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFJIAHSOLWSII-JBSZQXIRSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)[S+]([O-])C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFSHJVRBLLVKAZ-UQWNDQPVSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@H](SC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFJIAHSOLWSII-RUFKGVBESA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)[S+]([O-])C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFSHJVRBLLVKAZ-FYZIRFIYSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](SC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYXYVFYPVPVGF-QUDAQTMVSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)[S+](C)[O-])C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTFWQIEIVLQOX-GHGJXBRZSA-N", "SMILES:CS[C@@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccc(NC(C)=O)cc1)C(=O)N[C@H](Cc1ccc(NC(C)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYXYVFYPVPVGF-SBGSYDNWSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)[S+](C)[O-])C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTFWQIEIVLQOX-CYCWPGSHSA-N", "SMILES:CS[C@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccc(NC(C)=O)cc1)C(=O)N[C@H](Cc1ccc(NC(C)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNUQDJANZGVFO-ITULWGTLSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL227861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWSZLDRIJBUBZ-GJCYDJOFSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](NC(C)=O)Sc2ccc3ccccc3c2)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1"]}
{"name": "Gonadotropin-releasing hormone receptor", "xref": ["CHEMBL.TARGET:CHEMBL3066"], "id": "UniProtKB:P30969", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375951", "category": ["biolink:ChemicalEntity"], "name": "URIDINE DIPHOSPHATE GLUCOSE", "xref": ["InChIKey:HSCJRCZFDFQWRP-JZMIEXBBSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL387520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVUDWGDQYQGRN-LXQIFKJMSA-N", "SMILES:O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=S)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCJRCZFDFQWRP-NYYOCOOHSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL226713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDNNWOFQMQOHD-HWEKWTFHSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@]3(O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOMCFWHTBVRVAF-DHGVFLFYSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVUCDCDTDREPN-JZMIEXBBSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCPXQNAFYGUOP-JZMIEXBBSA-N", "SMILES:O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFTYTUAZOPRMMI-SBHKVJLYSA-N", "SMILES:CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL228057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYANYHVCAPMJV-LXQIFKJMSA-N", "SMILES:O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL439009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCJRCZFDFQWRP-ABVWGUQPSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL415848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQPWKAIEQBOLPJ-ROJLCIKYSA-N", "SMILES:O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVLNHQZPFVQQAJ-CLJLJLNGSA-N", "SMILES:COCCNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMDLIOIWKXESR-CLJLJLNGSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRRWMFNQXRLTHS-VSGBNLITSA-N", "SMILES:O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSNBZPLWHLFHV-KAYWLYCHSA-N", "SMILES:O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CN3CCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDUYSBJPXNBES-KAYWLYCHSA-N", "SMILES:O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CNC3CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXUURASZQTGIL-KAYWLYCHSA-N", "SMILES:CC(C)CNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIKNRGNOGONCG-CLJLJLNGSA-N", "SMILES:CC(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOOVVKGISQQLQL-CLJLJLNGSA-N", "SMILES:COCCNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWESSKDHVYOOLA-KAYWLYCHSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLHGSULGVCVRH-CLJLJLNGSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHWXODIKXBHDY-JWQCQUIFSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZOXQFIPGWDKX-CLJLJLNGSA-N", "SMILES:Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(=O)N[C@@H]1CCOc2cc(CNC(C)(C)C)ccc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVVRKNMDJNTDNA-CLJLJLNGSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFRYRFSGBUDTO-JWQCQUIFSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHGGUUKIECOCBN-CLJLJLNGSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNPKCVNXKBVJP-FQLXRVMXSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPKYYZPRHKGIFL-CLJLJLNGSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLZHGXRFLCIBPM-CLJLJLNGSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHBVNCZAUFLMJ-JWQCQUIFSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEBNWIAFHHHDT-CLJLJLNGSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMVVHHYEHBPGNW-CLJLJLNGSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPFUXDPAADHMG-JWQCQUIFSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOFRNMWURPZWBM-NELRVDDCSA-N", "SMILES:CC1CCCC(C)N1Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZKBBIWPORIMHR-FIRIVFDPSA-N", "SMILES:O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCOCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFWMGLQLSOSOF-FIRIVFDPSA-N", "SMILES:O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZDWFVSJVHLGNS-FQLXRVMXSA-N", "SMILES:CN(C)Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMHWKJXFQNGBJT-CZNDPXEESA-N", "SMILES:O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CNC3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPJNZZHHPZRMW-LOYHVIPDSA-N", "SMILES:CC(C)(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSQDXSOUXFERT-FIRIVFDPSA-N", "SMILES:CC(C)CNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMOHCXBCOKQLM-LOYHVIPDSA-N", "SMILES:CC(C)NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNNCFFGIOCEQAR-FQLXRVMXSA-N", "SMILES:CCNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBOAHXRPMWWGKO-VSGBNLITSA-N", "SMILES:CNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFXRXGTYBRQJC-KAYWLYCHSA-N", "SMILES:NCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WINDOIBEGFZUKU-DVERMALCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMBXVPGDXDBMG-BCMFHJDGSA-N", "SMILES:CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGISRHGYLRXSR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMOSOHDOZCRMML-QGZVFWFLSA-N", "SMILES:N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc2ccc(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTMWDEXZSACSFQ-UHFFFAOYSA-L", "SMILES:C=CCCCCCC[n+]1cccc(CCCCCCCCCCCC[n+]2cccc(CCCCC=C)c2)c1.[Cl-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOABVBSZAEDPP-CQPWUTEUSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOABVBSZAEDPP-IFLLZMBLSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQLBYPCPYGLSQC-OIOIWEDZSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPOIIFPKJKKPO-AGLBDDBTSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFXCUJHBSHRVLN-KDCMLNRRSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3s2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HROUSAHWAGUIEV-CQPWUTEUSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCNZMWUXYDOPS-FYYCEQFTSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLYJDJQUJRZDBS-QJUMOFSRSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUGIRDPPFGGRP-GTBIJRGCSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDTYJMEGITLBP-GEUARITBSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVSNISNWOTEQM-ZAFPHHHNSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CCC(C3CCCCC3)CC2)NC(=O)[C@H]2CC3CCCCC3N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSWKOJGUWKVIB-KBZSXKIQSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFDCZNQATCGDRV-IURAFAQNSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZPHXSKYHWXNY-DRODSASKSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBQVVGENJRXGO-WKZCDKSUSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHIQIMLFSJYURU-BEGKBBJWSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEDHYYTUINXNF-YGTIJORTSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(Cc3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBQDSQILSXEKV-BHFWETOJSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSSCMUHYLJNXAG-BHFWETOJSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C2CCCCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMAPOAMSOKHHLD-ZNLSIPTCSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJOXXVAGXAPNM-CQPWUTEUSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMWUMBJXBBEAOE-OKXJKXJKSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTHFWXHVFSKNEO-OFDRTADWSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cccs2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSLPEXBHSKVAT-YARXSHIWSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHFMUYCJCSUWNC-BKIWGLARSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)NC1CC(=O)NCCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3N(C2)C(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLYJDJQUJRZDBS-FVMQRRFMSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1207868", "category": ["biolink:ChemicalEntity"], "name": "TOXIUSOL", "xref": ["InChIKey:IDKFTCRFJYOYKG-ZXGJXZSTSA-N", "SMILES:C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CC[C@@]2(C)C3=CCCC(C)(C)[C@H]3CC[C@@H]2C)[C@]1(C)Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL226494", "category": ["biolink:ChemicalEntity"], "name": "SODIUM ZINC DIHYDROLIPOYLHISTIDINATE", "xref": ["InChIKey:GLGKCICLFLDJDO-UHFFFAOYSA-K", "SMILES:O=C(CCCCC1CCS[Zn]S1)NC(Cc1c[nH]cn1)C(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235647", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROLIPOIC ACID", "xref": ["InChIKey:IZFHEQBZOYJLPK-SSDOTTSWSA-N", "SMILES:O=C(O)CCCC[C@@H](S)CCS"], "synonym": ["Dihydrolipoicacid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL229453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYLZBYRQWQSRI-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c2c(O)c3c(c(O)c12)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPUAXHAZYUTDJ-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c2c(O)c3c(cc2c1C(=O)OC)C(=O)c1cccc(O)c1C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL225916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTVOGBPALREQDG-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C(C)C)cc(O)c2c(O)c3c(c(O)c12)C(=O)c1cccc(O)c1C3=O"]}
{"name": "Integrin alpha-11", "xref": ["CHEMBL.TARGET:CHEMBL5883"], "id": "UniProtKB:Q9UKX5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL125", "category": ["biolink:ChemicalEntity"], "name": "MILTEFOSINE", "xref": ["InChIKey:PQLXHQMOHUQAKB-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C"], "synonym": ["Miltefosine", "Miltefosine", "Miltefosine", "Miltefosina", "Miltefosine", "Miltefosine", "D-18506", "NSC-605583", "NSC-758968", "Impavido", "Miltex"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Phospholipase B", "xref": ["CHEMBL.TARGET:CHEMBL4157"], "id": "UniProtKB:P0CP75", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:283643"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198938", "category": ["biolink:ChemicalEntity"], "name": "OCTADECYLPHOSPHONOCHOLINE", "xref": ["InChIKey:ZBNJXSZNWZUYCI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRUUBNORFYVBG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[P+](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589176", "category": ["biolink:ChemicalEntity"], "name": "ETNANGIEN", "xref": ["InChIKey:UGSFSPKOZZJEIG-VHNYOPLKSA-N", "SMILES:CO[C@@H]1C/C=C\\C=C\\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C[C@H](O)/C(C)=C/CCC(=O)O)C[C@H](O)CCC1"], "chembl_natural_product": true}
{"name": "Gag-Pol polyprotein", "xref": ["CHEMBL.TARGET:CHEMBL3562"], "id": "UniProtKB:P03355", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:928306"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPMRZORPLAMRNG-PPPCGMJGSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CCCN)CC(=O)NC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CNC(O)[C@H](CCCN)NC(=O)OC(C)(C)C)O[C@@H]7CNC(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)O[C@@H]6CNC(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)O[C@@H]5CNC(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)O[C@@H]4CNC(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)O[C@@H]3CNC(=O)[C@H](CCCN)NC(=O)OC(C)(C)C.Cl.Cl.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVENPFFEMUOOGK-SDNWHVSQSA-N", "SMILES:N#C/C(=C\\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPANGZZENHZNJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTCBLPTHPBEEX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLKGBGVVHXDOEN-UHFFFAOYSA-N", "SMILES:O=C(NO)C1COC(c2cccc(C(F)(F)F)c2)=N1"]}
{"name": "UDP-3-O-acyl-N-acetylglucosamine deacetylase", "xref": ["CHEMBL.TARGET:CHEMBL3855"], "id": "UniProtKB:P47205", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397488", "category": ["biolink:ChemicalEntity"], "name": "KOBOPHENOL A", "xref": ["InChIKey:INNCSLAJOWLWJY-DTHXJHJPSA-N", "SMILES:Oc1ccc([C@H]2Oc3cc(O)cc([C@@H]4[C@H](c5cc(O)cc(O)c5)[C@@H](c5ccc(O)cc5)O[C@H]4c4ccc(O)cc4)c3[C@@H]2c2cc(O)c3c(c2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL231306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WASNZPFVELUKFM-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTMYUNUJPCTGCQ-HWYDHLEISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVFFQNSISGSTSN-OAQYLSRUSA-N", "SMILES:COc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLUKNYYAAXPWSS-HSZRJFAPSA-N", "SMILES:CC#Cc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIGFWEQSIPWGGT-JOCHJYFZSA-N", "SMILES:CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAIUMCIHPDHOIT-DEMDXTDYSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEGYWWXDIPIQNQ-XRPSMJEVSA-N", "SMILES:CN1C[C@H](C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCCC(C(N)=O)C2)C=C2c3cccc4[nH]cc(c34)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMVMEOICCVXBZ-YMNQGKLCSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCCC(C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORMEWQNFDRECN-HKRXKFSESA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAIUMCIHPDHOIT-JXSIFGCMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNAJYDRYXZMIZ-ALHDMZAZSA-N", "SMILES:CN1C[C@H](C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@H]2C(N)=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSBIAWPZBNFCQQ-ODNYIURZSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(=O)N1c2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZHXZGVGDIQVLP-XHXGFGLKSA-N", "SMILES:CN1C[C@H](C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](CCC2CCCCC2)C(=O)N2CCCC(C(N)=O)C2)C=C2c3cccc4[nH]cc(c34)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFYFSVSDFREOX-HNLGHXBASA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1c2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRBXIHTQMRKQY-JXSIFGCMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVYKQQCYVAQEM-VGOFMYFVSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4ccc(F)cc43)c(Cl)[nH]c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBOWYQFQCLFMNA-YBFXNURJSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4c3ccc3ccccc43)c(Cl)n(C)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAXPZTZIYSVXOJ-VCHYOVAHSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4c3ccc3ccccc43)c(Cl)[nH]c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDYKDNOHPAKXIN-UFFVCSGVSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4cc(C)c(O)cc43)c(Cl)n(Cc3ccc(Cl)cc3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEXJLAJJKJLRE-SRZZPIQSSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(Cl)n(Cc3ccc(Cl)cc3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEKYKNTWHBWPSY-SRZZPIQSSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(Cl)n(Cc3ccc(Cl)cc3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIDFFADORGNONY-YBFXNURJSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)n(Cc3ccc(Cl)cc3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHWWBPESSSSBK-CIAFOILYSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4ccc(F)cc43)c(Cl)n(Cc3ccccc3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLJGESJNSOCON-VIZOYTHASA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4cc(C)c(O)cc43)c(Cl)n(C)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXLOFCLJMMXZRD-OVCLIPMQSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(Cl)n(C)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZOFFEYNWIPCFH-OVCLIPMQSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4ccc(F)cc43)c(Cl)n(C)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAFBXKAMPATOPF-OVCLIPMQSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(Cl)n(C)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOVLKUAZROXPJ-MDWZMJQESA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)n(C)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLTYOPTPSNPPB-OQLLNIDSSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4ccccc43)c(Cl)n(C)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL61824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXOGBYQKMAAIA-UHFFFAOYSA-N", "SMILES:CC(SC1c2ccccc2Oc2ccccc21)C(=O)NCCNC(=O)C(C)SC1c2ccccc2Oc2ccccc21"]}
{"name": "Protein arginine N-methyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL5524"], "id": "UniProtKB:Q99873", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBSTKBLCNOBLH-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRRTVCXZFPDPX-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAPUBVHAQHYHTM-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIFIGYHDVBCEIK-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNAVULFGMYGNQE-RQZCQDPDSA-N", "SMILES:CC(C)CC(C/C=C1/OC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C"]}
{"name": "Protein kinase C delta type", "xref": ["CHEMBL.TARGET:CHEMBL2560"], "id": "UniProtKB:P28867", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL96766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKEOGEXDEKIDNA-NVMNQCDNSA-N", "SMILES:CC(C)CC(C/C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIZSHSPAAJIYOD-XKZIYDEJSA-N", "SMILES:COc1cc(OC)cc(-c2ccc3c(c2)NC(=O)/C3=C\\c2[nH]c(C)c(CCC(=O)O)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQQUDANFRCFMF-FQEVSTJZSA-N", "SMILES:O=C([C@@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1"]}
{"name": "C-C chemokine receptor type 4", "xref": ["CHEMBL.TARGET:CHEMBL5410"], "id": "UniProtKB:P51680", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJSLBRSNLJVPH-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBTINXLOMJSVQS-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODAYOBXFPHHOMA-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGJYOFQTSHTPK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCC(NC(=O)c2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMENEVRAHJCDMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLDBXSFARMMQPP-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYSOSKDAJWQFJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCSZVSNRKEGGN-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQWTBGTEFASGU-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULICRIREJYIHKT-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJKGXEWUXUVHHF-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAMIWVPVLENHQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2Cl)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEOFDOXFRRFQL-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZMCEOIEOTIGM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEZFXYNXVOPBCW-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVYURHDYDKHRR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABLMFJDRLGQBCM-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWCJLPVORHIJU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCC(NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOICCLVUAPVLKX-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGOGDWBPFWVELC-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWMHCRDLFZCSF-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL398990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNSVZJXNCJNBQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTZMBDSQDSHYAV-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSZGBUGZFGZJO-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZCDLPLSILDJI-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEPENLIPGXKBC-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2Cl)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKXOBLNUXRWGQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccc(-c4ccccc4)cc3)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSWENASDXUAOL-YDHLFZDLSA-N", "SMILES:COc1cc(O)cc(C)c1[C@@H]1CN[C@H](C(=O)N2CCC[C@H]2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFTUKCLDFIJPC-FQEVSTJZSA-N", "SMILES:COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYUIGEMGEGFVHQ-KXAIUKJUSA-N", "SMILES:O=C(N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQKXXNCYFHKTJ-HSZRJFAPSA-N", "SMILES:O=C(C1CCCCC1)N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCYTIFUNPMUAI-FVPXYTCKSA-N", "SMILES:COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWILWYRTJFBACP-NRFANRHFSA-N", "SMILES:COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWFKOTHBUIUXGW-FADFPCINSA-N", "SMILES:O=C1C[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTSARKDJIZHPSF-FPUQKESDSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H]([C@@H](C)C(O)CCO)O[C@](SCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)c3cc(NC(=O)CN)cc(C(=O)NCc4cn(CCOCCOCCOCCNC(=O)CS[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](C)C(O)CCO)O5)nn4)c3)nn2)(C(=O)O)C[C@H]1O"]}
{"name": "Synaptosomal-associated protein 25", "xref": ["CHEMBL.TARGET:CHEMBL1075243"], "id": "UniProtKB:P60881", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFHBYCOTBZNOU-LSPKHKQWSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H]([C@@H](C)C(O)CCO)O[C@](SCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)c3cc(NC(=O)CNC(=O)c4cc(NC(=O)CN)cc(C(=O)NCC(=N)Nc5cc(C(=O)NCc6cn(CCOCCOCCOCCNC(=O)CS[C@@]7(C(=O)O)C[C@@H](O)[C@H](NC(C)=O)[C@@H]([C@@H](C)C(O)CCO)O7)nn6)cc(C(=O)NCc6cn(CCOCCOCCOCCNC(=O)CS[C@@]7(C(=O)O)C[C@@H](O)[C@H](NC(C)=O)[C@@H]([C@@H](C)C(O)CCO)O7)nn6)c5)c4)cc(C(=O)NCc4cn(CCOCCOCCOCCNC(=O)CS[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](C)C(O)CCO)O5)nn4)c3)nn2)(C(=O)O)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJGGNFGSHPHGNE-AWEZNQCLSA-N", "SMILES:CCS(=O)(=O)C[C@](C)(O)c1cc2cc(C#N)c(C(F)(F)F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWAQASGRCWXIM-UHFFFAOYSA-N", "SMILES:Cc1cc(CC2SC(=O)NC2=O)cc(C)c1N(C)c1ccc(O)c(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDKHLYDMZDGMIF-UHFFFAOYSA-N", "SMILES:Cc1cc(CC2SC(=O)NC2=O)cc(C)c1N(CC1CCCCC1)c1ccc(O)c(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKHPMSSQXNXRM-UHFFFAOYSA-N", "SMILES:CC(C)=CCN(c1ccc(O)c(C(C)C)c1)c1c(C)cc(CC2SC(=O)NC2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUQKDASNMFBRF-UHFFFAOYSA-N", "SMILES:Cc1cc(CC2SC(=O)NC2=O)cc(C)c1N(CC(C)C)c1ccc(O)c(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFKKNMDJGSLMEQ-UHFFFAOYSA-N", "SMILES:Cc1cc(CC2SC(=O)NC2=O)cc(C)c1N(Cc1ccccc1)c1ccc(O)c(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHPHPBTMIJDKR-UHFFFAOYSA-N", "SMILES:CCCCCCN(c1ccc(O)c(C(C)C)c1)c1c(C)cc(CC2SC(=O)NC2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBXWGRUMLAYOAC-UHFFFAOYSA-N", "SMILES:Cc1cc(CC2SC(=O)NC2=O)cc(C)c1N(CC1CC1)c1ccc(O)c(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPOVMAFHVDLXQA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cc2cc(C(=O)O)c(O)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEZANYAKTRIHDI-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-c1cccc(CCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242530", "category": ["biolink:ChemicalEntity"], "name": "OBOVATAL", "xref": ["InChIKey:KGHJODCHEIEYBP-HWKANZROSA-N", "SMILES:C=CCc1ccc(Oc2cc(/C=C/C=O)cc(O)c2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL394574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPXNPZTBKTRRC-UHFFFAOYSA-N", "SMILES:O=C(CCBr)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKWADQMZKTROC-UHFFFAOYSA-N", "SMILES:O=C(CCI)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540956", "category": ["biolink:ChemicalEntity"], "name": "CINNAMTANNIN B1", "xref": ["InChIKey:BYSRPHRKESMCPO-LQNPQWRQSA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL395079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLZPGRYVWREKO-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNARBLXTTFGPGS-CFRMEGHHSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(/N=C\\c4cc(O)ccc4O)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZXLHTMMVVPPAF-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(NC(=O)NC(=O)C(Cl)(Cl)Cl)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428676", "category": ["biolink:ChemicalEntity"], "name": "AMONAFIDE", "xref": ["InChIKey:UPALIKSFLSVKIS-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O"], "synonym": ["Amonafide", "Amonafida", "Amonafide", "Nafidimide", "AS-1413", "NSC-308847", "Amonafide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL242621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUXYITBDQGHTIJ-GDNBJRDFSA-N", "SMILES:C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S"]}
{"name": "Albumin", "xref": ["CHEMBL.TARGET:CHEMBL3253"], "id": "UniProtKB:P02768", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUHBZVUKUOZKST-ATVHPVEESA-N", "SMILES:C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(CCC(=O)O)cc3)o2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDQWCANOYDCNR-DHDCSXOGSA-N", "SMILES:C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDWIFHNHYUITFB-GDNBJRDFSA-N", "SMILES:C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJQKPIOTILTXNU-ODLFYWEKSA-N", "SMILES:COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(O)C(F)(F)F)O2)C(C)=CC(C)(C)N3"]}
{"name": "Substance-K receptor", "xref": ["CHEMBL.TARGET:CHEMBL2647"], "id": "UniProtKB:Q64077", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDJTWUEACFTRX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)n1cc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIILQHVFVJLRAB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2cc(Br)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQOLTNSVAYNBJ-GCZFGYHLSA-N", "SMILES:CCC[C@@H](C[C@H](C)NC(=O)[C@H](C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)C[C@@H](C)N)C(C)C)C(=O)O"]}
{"name": "Solute carrier family 15 member 1", "xref": ["CHEMBL.TARGET:CHEMBL4605"], "id": "UniProtKB:P46059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUNERXRNOWWFG-JGVFFNPUSA-N", "SMILES:CC(C)[C@H](N)CC(=S)N[C@@H](C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVNOSMHDDYFOEO-IUCAKERBSA-N", "SMILES:CC(C)C[C@@H](CC(=O)O)NC(=O)C[C@H](C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGRYLRZBYRVTPI-IUCAKERBSA-N", "SMILES:CC(C)C[C@@H](CC(=O)O)NC(=O)[C@@H](C)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMZZTSJHWFXEQF-GJZGRUSLSA-N", "SMILES:NCCCC[C@H](N)CC(=O)N[C@H](CC(=O)O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXLNYNWTLLIADW-IUCAKERBSA-N", "SMILES:C[C@H](N)CC(=O)N[C@@H](CCCCN)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLSOXFNZLYVSLZ-MELADBBJSA-N", "SMILES:CC(C)C[C@@H](CNC(=O)[C@@H](C)CNC(=O)[C@H](CN)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNGQTBLXUQDOW-SZMVWBNQSA-N", "SMILES:C[C@H](N)CC(=O)N[C@@H](CCCCN)CC(=O)N[C@H](CC(=O)O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWWVCMRSNULTH-SQNIBIBYSA-N", "SMILES:NCCCC[C@@H](CC(=O)N[C@H](CC(=O)O)Cc1ccccc1)NC(=O)C[C@@H](N)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZBPOQODYKOULE-HDARCNCQSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2cc(=O)oc3cc(O)ccc23)NC(=O)[C@H](CCc2ccccc2)NC(=O)CC[C@@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCBDVBWQMWQOW-MRNVWEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYMJOZNLCUTBDD-WAUAYAJRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFHWMLGUMHKFC-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL398025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMCJNVRVANJPW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(Cl)c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIISZZHGLCYZHX-HSZRJFAPSA-N", "SMILES:Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)CNCCc2ccc(-c4nnn[nH]4)cc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHXQPROXVNPSN-JYQREJNHSA-N", "SMILES:O[C@@H]1[C@@H](OC[C@H]2O[C@H](CN(CC3CCCCC3)CC3CCCCC3)[C@@H](O)[C@@H]2O)O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQPBAUWHKLFYPZ-CVOAXWMXSA-N", "SMILES:O[C@H]1[C@H](O)[C@@H](CN(CC2CCCCC2)CC2CCCCC2)O[C@@H]1CC[C@H]1O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJXFHBDAYDUBK-BXBQWTSASA-N", "SMILES:O[C@H]1[C@H](O)[C@@H](CN(CC2CCCCC2)CC2CCCCC2)O[C@@H]1/C=C/[C@H]1O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKPJTOHUPQWSOJ-HSZRJFAPSA-N", "SMILES:CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUJRTZFYNVKYNJ-BJMVGYQFSA-N", "SMILES:COc1c(C)c2c(c(OC(C)=O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXRQFLATDNYSS-BJMVGYQFSA-N", "SMILES:COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL236447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYDXVLHZFREGOX-UHFFFAOYSA-N", "SMILES:NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCVSJYRGWDKTNK-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AESDVUXZXPNTFN-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNYXQJHWLBLTG-FMIVXFBMSA-N", "SMILES:NCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMPJGCVOUHYLHU-UHFFFAOYSA-N", "SMILES:NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUYVKJNBBOQJR-UHFFFAOYSA-N", "SMILES:NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAQXMBNKKROFAA-UHFFFAOYSA-N", "SMILES:NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10", "category": ["biolink:ChemicalEntity"], "name": "SB-203580", "xref": ["InChIKey:CDMGBJANTYXAIV-UHFFFAOYSA-N", "SMILES:C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTKOLKXELORMS-XYWHTSSQSA-N", "SMILES:N#Cc1cc(N2CCN(CC[C@H]3CC[C@H](NS(=O)(=O)c4cccnc4)CC3)CC2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLRVWMXWJSCTQA-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(CCN=C=S)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKQPTVJDZIILPG-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(C=O)n3)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL399208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLRJRUFOIDTER-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(CN4CCOCC4)n3)c(S(C)(=O)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237347", "category": ["biolink:ChemicalEntity"], "name": "GW559768X", "xref": ["InChIKey:BVHZLDLRNBQWRF-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1Nc1ccnc2ccc(S(C)(=O)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTHNMZSSIPVUMR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFOLFSLWCSZMZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(-c3cn(C)c4ccccc34)[nH]n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHDGHLSWLMACI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(-c3cn(C)c4ccc(Cl)cc34)[nH]n2)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL400211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKSRKTYCCBGOO-UHFFFAOYSA-N", "SMILES:CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240681", "category": ["biolink:ChemicalEntity"], "name": "ISO-IANTHERAN A", "xref": ["InChIKey:FXPJDFSMGKKULQ-WLADAGMQSA-L", "SMILES:O=S(=O)([O-])OC(=C\\c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)/C(=C/c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)OS(=O)(=O)[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZKFMUYNLFXKY-UHFFFAOYSA-N", "SMILES:COc1cc(CCl)ccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMIBKGQKYCFESO-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nnc(S)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL394034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDDCRNUQDKWIA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc[nH]1)c1c(Cl)ccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIALBPOCOGYNE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2ccccc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARAIFZDFDNWOI-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)ccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUJXLYCFJYCPHN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRLRZVCXQWUIBP-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)ccc1Oc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGFZDWAEBKKPMK-UHFFFAOYSA-N", "SMILES:COc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILJPGZIIDINED-UHFFFAOYSA-N", "SMILES:OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCALTYAVXDHNO-UHFFFAOYSA-N", "SMILES:Oc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHZEXMYTPRFKV-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3138353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMEROWZSTRWXGI-JJRJMRTASA-N", "SMILES:C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1478", "category": ["biolink:ChemicalEntity"], "name": "LITHOCHOLIC ACID", "xref": ["InChIKey:SMEROWZSTRWXGI-HVATVPOCSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL318457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYTNEISLBIENSA-MDZDMXLPSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1"], "chembl_natural_product": true}
{"name": "G-protein coupled bile acid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5409"], "id": "UniProtKB:Q8TDU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL287556", "category": ["biolink:ChemicalEntity"], "name": "KOJIC ACID", "xref": ["InChIKey:BEJNERDRQOWKJM-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)occ1O"], "synonym": ["5-Hydroxy-2-(hydroxymethyl)-4-pyrone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL397819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLGCTWRKJZKFC-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)nc2c(c1N)Cc1cc(O)c(O)cc1O2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYIKKPJWMTPST-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C2=Nc3ccc(C#Cc4ccccc4)cc3NC(=O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBOASXXEYCGQG-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C2CCC(N)(COP(=O)(O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLASFTPNKGQBNF-VQTJNVASSA-N", "SMILES:CCCCCCCCc1ccc([C@H]2CC[C@](N)(CO)C2)cc1"]}
{"name": "Sphingosine kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL1075305"], "id": "UniProtKB:Q9JIA7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLASFTPNKGQBNF-WOJBJXKFSA-N", "SMILES:CCCCCCCCc1ccc([C@@H]2CC[C@](N)(CO)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBOASXXEYCGQG-VQTJNVASSA-N", "SMILES:CCCCCCCCc1ccc([C@H]2CC[C@](N)(COP(=O)(O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBOASXXEYCGQG-PMACEKPBSA-N", "SMILES:CCCCCCCCc1ccc([C@H]2CC[C@@](N)(COP(=O)(O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBOASXXEYCGQG-UXHICEINSA-N", "SMILES:CCCCCCCCc1ccc([C@@H]2CC[C@@](N)(COP(=O)(O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKBVEVEQOCSCF-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUIRMQOOAUKII-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIKPEWFCSQNQB-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFFZMILSHZEQK-UHFFFAOYSA-N", "SMILES:CCC1(CC(O)(CNc2cccc3nc(C)ccc23)C(F)(F)F)CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTXMUOSDKIUWKU-UHFFFAOYSA-N", "SMILES:CCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBUXOIGBDQKZIP-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCCNCc1ccc2ccc3cccc4ccc1c2c34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL236220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUUXGVCWFDURD-UHFFFAOYSA-N", "SMILES:N=C(N)NCc1c2ccccc2cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL245876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORIMYADZQJWOU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Oc2cccc3cccnc23)cc1S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559612", "category": ["biolink:ChemicalEntity"], "name": "CP-55940", "xref": ["InChIKey:YNZFFALZMRAPHQ-SYYKKAFVSA-N", "SMILES:CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL441618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWGIGCYIAMFMA-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL392970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPYZSFJJFCSMMV-WGOQTCKBSA-N", "SMILES:COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCCC3)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNUZHZCPXXATF-LPYMAVHISA-N", "SMILES:COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CC3)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL393176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMCHSYZYMIUVHD-HKBQPEDESA-N", "SMILES:CCCCNC(=O)CCCCCCCCCCOC[C@@H]1Cc2ccccc2CN1C(=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXDMBBBRBGPVMA-HKBQPEDESA-N", "SMILES:CCCCNC(=O)CCCCCCCCCCOC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGSPSFMTIOEJDV-HKBQPEDESA-N", "SMILES:CCCCNC(=O)CCCCCCCCCCOC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLVNUAMJIXEHF-PMERELPUSA-N", "SMILES:CCCCNC(=O)CCCCCCCCCCOC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL246794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTVQMTFZYWXSRS-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL248030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZJIISPEJXOBY-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2nc(C(C)C)co2)nnc1-c1nc(C(C)C)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVXXYGNJQRWRMH-UHFFFAOYSA-N", "SMILES:CC(C)c1coc(-c2cc(CC3CCCCC3)c(-c3nc(C(C)C)co3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL246836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPHQVOQLLSUOMV-JOCHJYFZSA-N", "SMILES:CC(C)Cc1cc(C(=O)N2CCC[C@@H](OCc3ccccc3)C2)nnc1-c1nc(C(C)C)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDVBQDFMHLOEZ-UHFFFAOYSA-N", "SMILES:CCC(C)C1CN(C(=O)c2cc(Cc3ccccc3)c(-c3nc(CC(C)C)co3)nn2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGOUZWFWMXGPC-CMDGGOBGSA-N", "SMILES:Cn1c(/C=C/c2ccc(C#N)cc2C(=O)O)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTORTYGUQMOBH-DIAUVYRXSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)C=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"name": "HLA class II histocompatibility antigen, DQ alpha 1 chain", "xref": ["CHEMBL.TARGET:CHEMBL4105884"], "id": "UniProtKB:P01909", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZNLEJAKWHRHR-KWFZLMASSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)C=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)C=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXZMHMOOFBPHGV-KWFZLMASSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL246597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBKUESQVZMMIH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMVVJIAEWRFMV-HJDUBOQZSA-N", "SMILES:NC(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12"]}
{"name": "Concanavalin-A", "xref": ["CHEMBL.TARGET:CHEMBL5820"], "id": "UniProtKB:P02866", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQBNDBMYSFBBJG-PKONUZMBSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)N(CCO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC(=O)N(CCO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC(=O)N(CCO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC(N)=O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HANUTFAETYFWTH-UGBBJDRSSA-N", "SMILES:NC(=O)CCN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL398971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGJDCKBUXUQIC-CKTPQKGRSA-N", "SMILES:NC(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL400643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGGWLXVOWIOCR-FSAKMJRJSA-N", "SMILES:NC(=O)CCN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL398669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCZXLSYFHULECQ-HYHFPRINSA-N", "SMILES:CC(C)(C)c1cc(C(=O)NCCc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL400746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPHGWCUCQLEZCX-UQCYUJMQSA-N", "SMILES:CC1(C)c2ccc(C(=O)NCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2C(C)(C)N1[O]"], "synonym": ["VCP-102"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFVFNDFHJHEHU-QIFOKDCASA-N", "SMILES:CC1(C)CC(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(C)(C)N1[O]"], "synonym": ["VCP-28"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTLYWBXDLJZGQD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)C(OCC(C)C)c2ccccc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOYNOXLHNFOKQP-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)C(OC(C)C)c2ccccc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUUNKOINEPNIGQ-UHFFFAOYSA-N", "SMILES:CCCOC1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL50", "category": ["biolink:ChemicalEntity"], "name": "QUERCETIN", "xref": ["InChIKey:REFJWTPEDVJJIY-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"], "synonym": ["Quercetin", "3'-hydroxykaempferol", "C.i. 75670", "C.i. natural red 1", "Ci-75670", "Corvitin", "Cyanidenolon 1522", "Korvitin", "Lipoflavon", "Meletin", "Quercetin", "Quercetin (constituent of ginkgo)", "Quercetine", "Quercetol", "Quertin", "Quertine", "Sophoretin", "Xanthaurine", "LDN 0052529", "LDN-0052529", "NSC 57655", "NSC 9219", "NSC-57655", "NSC-9219", "Quercetin"], "chembl_natural_product": true}
{"name": "Polyunsaturated fatty acid lipoxygenase ALOX15", "xref": ["CHEMBL.TARGET:CHEMBL2903"], "id": "UniProtKB:P16050", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBKUQNSWOMLNH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2COc3c(ccc(O)c3O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGXHTRSZNNBRAN-UHFFFAOYSA-N", "SMILES:COc1ccc(C2COc3c(ccc(O)c3O)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKTUGNUTHQWNI-UHFFFAOYSA-N", "SMILES:COc1ccc(C2COc3c(ccc(O)c3O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTSPNMYQKLXBD-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cccc(C(F)(F)F)c2)coc2c(O)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMOHOVNLHFEKAC-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2coc3c(O)c(O)ccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGASEMKSFXQPPD-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cccc(Cl)c2)coc2c(O)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYPFUPOFGTDMR-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(Cl)cc2)coc2c(O)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPAPWSBQJTTPD-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)coc2c(O)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANWEBOHKLZIJJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2coc3c(O)c(O)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBYBKYAFBKXSE-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2COc3cc(O)c(O)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLSRLIZCRXUKZ-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)OCC(c1ccc3c(c1)OCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLIIKGCVOJPMQB-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2COc3cc(O)c(O)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMAEFVLALEJDS-UHFFFAOYSA-N", "SMILES:COc1ccc(C2COc3cc(O)c(O)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLCHGDNHQAWIPT-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2COc3cc(O)c(O)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8260", "category": ["biolink:ChemicalEntity"], "name": "BAICALEIN", "xref": ["InChIKey:FXNFHKRTJBSTCS-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12"], "synonym": ["Baicalein", "Baicalein", "Noroxylin", "NSC-661431", "Baicalein"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL31574", "category": ["biolink:ChemicalEntity"], "name": "FISETIN", "xref": ["InChIKey:XHEFDIBZLJXQHF-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12"], "synonym": ["Fisetin", "5-desoxyquercetin", "C.i. 75620", "C.i. natural brown 1", "Fisetin", "Fisidenolon 1521", "NSC-407010", "NSC-656275"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL52", "category": ["biolink:ChemicalEntity"], "name": "NORDIHYDROGUAIARETIC ACID", "xref": ["InChIKey:HCZKYJDFEPMADG-UHFFFAOYSA-N", "SMILES:CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL442426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYBXTSDCXMXSMK-UHFFFAOYSA-N", "SMILES:C=CCOC(CCCCCCC(=O)NO)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL400514", "category": ["biolink:ChemicalEntity"], "name": "BERKELEYDIONE", "xref": ["InChIKey:RBGYOLFHIDJTOX-VMXKAMJHSA-N", "SMILES:C=C1[C@@]2(C)C[C@H]3C(C)=C4CC(=O)OC(C)(C)C4=CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL252921", "category": ["biolink:ChemicalEntity"], "name": "BERKELEYACETAL B", "xref": ["InChIKey:XZKVBCSVEVIEBX-YJCISAIBSA-N", "SMILES:COC(=O)[C@]12C(=O)[C@H](C)O[C@@H]3OC(=O)[C@](C)(C[C@H]4[C@]5(CO5)C5=CC(=O)OC(C)(C)C5=CC[C@@]41C)[C@@H]32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL252920", "category": ["biolink:ChemicalEntity"], "name": "BERKELEYACETAL A", "xref": ["InChIKey:XNTNCSKBTFROEZ-YAVZHVFSSA-N", "SMILES:COC(=O)[C@]12C(=O)[C@H](C)O[C@@H]3OC(=O)[C@](C)(C[C@H]4C(C)=C5CC(=O)OC(C)(C)C5=CC[C@@]41C)[C@@H]32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL252716", "category": ["biolink:ChemicalEntity"], "name": "BERKELEYTRIONE", "xref": ["InChIKey:BNDPVNXDSQOTOY-OKCDOLPESA-N", "SMILES:C=C1[C@@]2(C)C[C@H]3[C@@]4(C)C(=CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O)C(C)(C)C(=O)C[C@H]4O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL400716", "category": ["biolink:ChemicalEntity"], "name": "BERKELEYACETAL C", "xref": ["InChIKey:PCBBMDQLBUYDDZ-MBEBNAQTSA-N", "SMILES:C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4[C@](C)(C(=O)C=C5C(=CC(=O)OC5(C)C)[C@@]45CO5)[C@H](C1=O)[C@H]23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL251696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZCOSHPHASAUBT-WCGKCGFQSA-N", "SMILES:CO[C@@H]1OC(=O)C2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL250263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJAQPGLKAWWKLX-JBPGZYRBSA-N", "SMILES:CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@H]5COC(=O)C5=CC[C@H]4[C@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL269105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFJWLVMFJQJEU-VUZQMFHASA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C3C(=O)O[C@@H](O)[C@@H]3[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL399743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVQOEWPZTUPDT-PNXXKSHTSA-N", "SMILES:CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H]5C(=CC[C@H]4[C@]3(C)CC[C@@H]12)C(=O)O[C@H]5O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL140", "category": ["biolink:ChemicalEntity"], "name": "CURCUMIN", "xref": ["InChIKey:VFLDPWHFBUODDF-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"], "synonym": ["Curcumin", "C.i. 75300", "C.i. natural yellow 3", "Ci 75300", "Ci-75300", "Curcumin", "Curcumin e100", "Diferuloylmethane", "Haldar", "Jianghuangsu", "Kacha haldi", "Kurkum", "Lipocurc", "Merita earth", "Nanocurc", "Turmeric yellow", "E 100", "E-100", "E100", "INS NO. 100(I)", "INS-100(I)", "NSC-32982", "NSC-687842", "Curcumin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL252956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOUDFZJCSDKXLG-UHFFFAOYSA-N", "SMILES:O=C1CCCc2nc(C#Cc3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNDTVNYIGWIIRZ-KPKJPENVSA-N", "SMILES:O=C(O)CCCN1C(=O)/C(=C\\c2ccc3c(c2)OCO3)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQESUZXXTWVWDR-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMZAFKAYQKZMRO-JGCGQSQUSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRXVLUZMMDCNG-KKPQBLLMSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL254117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIRLEBFOIWONX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDTVNWYCKSOBLL-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWZMLZHLNDNLAD-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)cccc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL254889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOFJNPMTXFVCM-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C(=O)c1c(OCCN(C)C)cccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJKRASOWNJZKO-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)ccc([N+](=O)[O-])c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBFGHZKIZWCJIA-UHFFFAOYSA-N", "SMILES:CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSRIKGAPXLENN-UHFFFAOYSA-N", "SMILES:CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL271590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQPUWGBXGMGDOV-UHFFFAOYSA-N", "SMILES:CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJHRVXNEHRFKJR-UHFFFAOYSA-N", "SMILES:CN1Cc2cccc(F)c2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPAXDCHSNKLAS-HWRQHDFZSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H]4OC(Cc5ccccc5)O[C@H]43)[C@H]3OC(Cc4ccccc4)O[C@H]32)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256705", "category": ["biolink:ChemicalEntity"], "name": "OCHROMYCINONE", "xref": ["InChIKey:ZAWXOCUFQSQDJS-VIFPVBQESA-N", "SMILES:C[C@@H]1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2C3=O)C1"], "synonym": ["Ochromycinone", "J655.169F", "STA-21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL255992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXGCKOKTUFPBQ-AFUMVMLFSA-N", "SMILES:Cc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSOPJLOXGPOPCK-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAZLGRPSEFDGBZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(Cc3ccc(Br)cc3)n(CCCN(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXYBXPYDRVPBJ-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(COc2ccccc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL271286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZRERIINHYUDV-UHFFFAOYSA-N", "SMILES:CN1CCCC1CCn1c(Cc2ccc(Br)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNONMKHHEOLVQW-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(Cc2ccc(Br)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUUOUHFCYIXDRW-UHFFFAOYSA-N", "SMILES:Cc1cc(NCCNc2ccc3c(c2)OCCO3)c2ccc3ccccc3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYGWGODFOASSCK-UHFFFAOYSA-N", "SMILES:COc1ccc(NCCNc2cc(C)nc3c2ccc2ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUXQYOAHKZXED-YXSASFKJSA-N", "SMILES:COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N\\NC1=NCCN1"]}
{"name": "S-adenosylmethionine decarboxylase proenzyme", "xref": ["CHEMBL.TARGET:CHEMBL4181"], "id": "UniProtKB:P17707", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKDLLNVGUWXVIF-YAXRCOADSA-N", "SMILES:Cc1nn2c(/C=N/NC(=N)N)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSHDLUNYAZEMK-JUDXGUMMSA-N", "SMILES:Nc1cccc2c1ncn2[C@@H]1O[C@H](CSCCC(=O)O)[C@@H](O)[C@H]1O"]}
{"name": "DNA adenine methylase", "xref": ["CHEMBL.TARGET:CHEMBL1075075"], "id": "UniProtKB:P0AEE8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXYJDRSYWXIEQE-ZRFIDHNTSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCC(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVSUAXKBBAXPV-RDGDOILBSA-N", "SMILES:COc1cccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQSHJZEEHRRBV-DNZFFYPPSA-N", "SMILES:CN(C)c1cccc(C(=O)NC2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFKFAFMEFPSHAN-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2cc(O)c(C#Cc3ccc(F)cc3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHKGHOHNMXZGJC-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2cc(O)c(C#Cc3ccc(F)cc3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTUNIXXDMVUOW-UHFFFAOYSA-N", "SMILES:c1ccc(CCc2ccccc2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTLXHJOVDOVZBD-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2OCc2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZERZNONQTWORKG-UHFFFAOYSA-N", "SMILES:c1ccc(CCc2ccccc2OCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDYWFZNRVYCRB-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUVSQVHZKKJEHX-UHFFFAOYSA-N", "SMILES:c1ccc(CCc2ccccc2OCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6966", "category": ["biolink:ChemicalEntity"], "name": "VERAPAMIL", "xref": ["InChIKey:SGTNSNPWRIOYBX-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"], "synonym": ["Verapamil", "Verapamil", "Verapamil", "Verapamilo", "Verapamil", "Iproveratril", "Verapamil", "Verapamil slow release", "CP-16,533-1", "CP-165331", "D-365", "NSC-272306NA", "Verapamil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL258610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBJIBBIMIYBVRK-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2OCc2cccc(OC)c2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOILCHAIWOKCMX-PTIQDJESSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4OC(=O)C(=C)[C@H]4CCCC)CC[C@@H]23)C[C@@H](O)[C@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOKZLKDGUQWMSX-HKBQPEDESA-N", "SMILES:OC[C@H](Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1"]}
{"name": "ADP-ribosylation factor 1", "xref": ["CHEMBL.TARGET:CHEMBL1075273"], "id": "UniProtKB:P84078", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "ADP-ribosylation factor 6", "xref": ["CHEMBL.TARGET:CHEMBL1075274"], "id": "UniProtKB:P62331", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIIEALEIHQDBX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261567", "category": ["biolink:ChemicalEntity"], "name": "PHATHALIMIDE", "xref": ["InChIKey:DDBPYXDGQPCFGF-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1c1nc2ccc(OC(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGNJNJPGWGTZRY-WBBSEXDBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWXULUSSKWSHGL-HOXBYAFDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJYXUWNZRNPVMG-VBKFSLOCSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\\c2cccc(O)c2)C1=O"]}
{"name": "2-5A-dependent ribonuclease", "xref": ["CHEMBL.TARGET:CHEMBL3575"], "id": "UniProtKB:Q05823", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBWEMIJOWUBEM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cccc(O)c2)nc2sc3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTAGLZBJCCVJET-UQTMIEBXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUNIOWHVNDZWCB-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)c2c(OC)c(OC)c3cc(O)cc(OC)c3c2o1"], "chembl_natural_product": true}
{"name": "NF-kappa-B inhibitor alpha", "xref": ["CHEMBL.TARGET:CHEMBL2898"], "id": "UniProtKB:P25963", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUFQFEBTSUUHDT-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)c2c(O)c(OC)c3cc(O)cc(OC)c3c2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL258639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRULTBLJWVKHQ-GFCCVEGCSA-N", "SMILES:CCN(CC)C[C@@H]1COC(c2ccc([N+](=O)[O-])cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXYIHYRGQQGSU-ZDUSSCGKSA-N", "SMILES:O=[N+]([O-])c1ccc(C2=NC[C@@H](CN3CCCC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEFXKTSEXWUCCU-ZDUSSCGKSA-N", "SMILES:CCN(CC)C[C@@H]1CN=C(c2ccc([N+](=O)[O-])cc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOHNUMIZWJFFPS-LBPRGKRZSA-N", "SMILES:O=[N+]([O-])c1ccc(C2=N[C@@H](CN3CCCC3)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRULTBLJWVKHQ-LBPRGKRZSA-N", "SMILES:CCN(CC)C[C@H]1COC(c2ccc([N+](=O)[O-])cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXYIHYRGQQGSU-CYBMUJFWSA-N", "SMILES:O=[N+]([O-])c1ccc(C2=NC[C@H](CN3CCCC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL263407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEFXKTSEXWUCCU-CYBMUJFWSA-N", "SMILES:CCN(CC)C[C@H]1CN=C(c2ccc([N+](=O)[O-])cc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL263146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOHNUMIZWJFFPS-GFCCVEGCSA-N", "SMILES:O=[N+]([O-])c1ccc(C2=N[C@H](CN3CCCC3)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL247920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRVJRYZAQYCEE-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1"]}
{"name": "Apolipoprotein A-I", "xref": ["CHEMBL.TARGET:CHEMBL5984"], "id": "UniProtKB:P02647", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTLGLLUFNPMSHA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2c([N+](=O)[O-])ccc3c2=NC2(CCCCC2)N=3)cc1"]}
{"name": "ADP-ribosylation factor 1", "xref": ["CHEMBL.TARGET:CHEMBL5985"], "id": "UniProtKB:P84077", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ADP-ribosylation factor 5", "xref": ["CHEMBL.TARGET:CHEMBL5986"], "id": "UniProtKB:P84085", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1321", "category": ["biolink:ChemicalEntity"], "name": "PROCARBAZINE", "xref": ["InChIKey:CPTBDICYNRMXFX-UHFFFAOYSA-N", "SMILES:CNNCc1ccc(C(=O)NC(C)C)cc1"], "synonym": ["Procarbazine", "Procarbazine", "Procarbazine", "Procarbazina", "Procarbazine", "Procarbacine", "Procarbazine", "RO-4-6467", "RO-4-6467 FREE BASE"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL270149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKZIIQNJKUDXEX-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)nc(NC2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYMDQYASRZPRZ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPFFRJLMCUESRV-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNc2nc(NCCN3CCOCC3)nc(NC3Cc4ccccc4C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEGZAQQQNAZHTD-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)nc(NC2Cc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJDRBOHIJICVBF-UHFFFAOYSA-N", "SMILES:CC(=O)C1Nc2c(nc(N)[nH]c2=O)NC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL21241", "category": ["biolink:ChemicalEntity"], "name": "GW7647", "xref": ["InChIKey:PKNYXWMTHFMHKD-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL269887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMPPOLUVNULKW-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCNCCCCNCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCNCCCCNCCCNC(C)=O)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNANNKXPVHDOBJ-UHFFFAOYSA-N", "SMILES:CC(C)NCCNCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CNCCNC(C)C)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMVKAYBIDUXHN-UHFFFAOYSA-N", "SMILES:CN(C)CCCNCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCNCCCN(C)C)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYJPEQRIZPWVAI-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCNCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCNCCCNC(C)=O)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKGAKTJGLPMPGP-UHFFFAOYSA-N", "SMILES:NCCCNCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCNCCCN)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YABMJACHFJHRJF-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCCNCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CNCCNCCNC(C)=O)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYARCOLCPJVSN-UHFFFAOYSA-N", "SMILES:NCCNCCNCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CNCCNCCN)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVBTNTZIPECNL-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)c2c(ccc3cc(Cc4ccccc4)ccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYAVCKEQQNXIB-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMLFGXXOMAMMFX-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDFKITVDFUHUQY-DATHZOKXSA-N", "SMILES:COC[C@H]1OC(=O)/C(=C/N(C)CCCN(C)C)C2=C(O)C(=O)C3=C([C@H](OC(C)=O)C[C@]4(C)[C@@H](O)CC[C@@H]34)[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMTVLEVXFWQPIA-GKDVJIACSA-N", "SMILES:CC(=O)OC1OC[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"name": "Undecaprenyl phosphate-alpha-4-amino-4-deoxy-L-arabinose arabinosyl transferase", "xref": ["CHEMBL.TARGET:CHEMBL1075254"], "id": "UniProtKB:O52327", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:99287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBOCGSHLUJBKCF-VKIFBMEASA-N", "SMILES:NC(=O)[C@H]1CCS[C@@H]2C[C@]3(CCCN3C(=O)c3nc(NC(=O)COc4ccc(Cl)cc4)n[nH]3)C(=O)N12"]}
{"name": "Myeloid differentiation primary response protein MyD88", "xref": ["CHEMBL.TARGET:CHEMBL5919"], "id": "UniProtKB:Q99836", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABCKTVHPFFBQSQ-YTTGMZPUSA-N", "SMILES:NC(=O)CN1CCC[C@]2(CCCN2C(=O)CCNC(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXQBDPKXSNRQP-AJFLCOCNSA-N", "SMILES:Cc1cnc(C(=O)Nc2ccc(C(=O)NCCC(=O)N3CCC[C@]34C[C@H]3SCC[C@H](C(N)=O)N3C4=O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISNWXFLPYIPNNU-RDGATRHJSA-N", "SMILES:N=C(N)NCCCCNC(=O)c1ccc2cc(NC(=O)CN3C(=O)[C@@H]4C[C@@H](O)CN4C(=O)c4ccccc43)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLHLJXFIPCEMW-ZJSFPPFMSA-N", "SMILES:NC(=O)[C@H]1CCS[C@@H]2C[C@]3(CCCN3C(=O)Cc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL271857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDANFLKXHOVTLR-RYTKLIEQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12)C(N)=O"]}
{"name": "Plasminogen activator", "xref": ["CHEMBL.TARGET:CHEMBL1075037"], "id": "UniProtKB:P17811", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:632"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZJDOEMZLHACIB-REEUKPJVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPAWEXUWSPZFPP-NTLLZDLGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRULGNUZUZUABA-BINCXVMRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKLSUUGSSQDPF-WYTXKKOUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL271633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCLPCZPVKJNCV-GUSYJLDUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCQACXABGXMTON-VRPLPHLQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTIOYLEKGQWRC-UXBLZVDNSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(N3CCNCC3)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBJMKLJLRWJRK-ZHACJKMWSA-N", "SMILES:CCN1CCC(c2cc(C(=O)/C=C/c3ccccc3)c(OC)cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJGNNYJNNYYCM-MDZDMXLPSA-N", "SMILES:CCN1CCC(c2cc(C(=O)/C=C/c3ccccc3Cl)c(OC)cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFSFCUGRDMDQCO-UHFFFAOYSA-N", "SMILES:Br.CCCN(CCc1cccnc1)CCc1cccc(F)c1"]}
{"name": "Delta(14)-sterol reductase TM7SF2", "xref": ["CHEMBL.TARGET:CHEMBL5839"], "id": "UniProtKB:O76062", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCUQVKQCPDVPRC-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)oc3c(c2c1)C(C)CC3=O"], "chembl_natural_product": true}
{"name": "DNA polymerase lambda", "xref": ["CHEMBL.TARGET:CHEMBL5367"], "id": "UniProtKB:Q9UGP5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408995", "category": ["biolink:ChemicalEntity"], "name": "TALAROFLAVONE", "xref": ["InChIKey:ISNKGHIHBITAEG-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(c1)C1(OC2=O)C(C)=CC(=O)C1O"], "chembl_natural_product": true}
{"name": "DNA polymerase eta", "xref": ["CHEMBL.TARGET:CHEMBL5542"], "id": "UniProtKB:Q9Y253", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA polymerase iota", "xref": ["CHEMBL.TARGET:CHEMBL5391"], "id": "UniProtKB:Q9UNA4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IETLYQVKZKEMKL-FZFLATATSA-N", "SMILES:CCOC(=O)/C(C#N)=C(\\NCc1ccccc1)N[C@H](C)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258867", "category": ["biolink:ChemicalEntity"], "name": "EUPALININ A", "xref": ["InChIKey:RDZDKJXIRQNZFT-WMFZWANKSA-N", "SMILES:C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL118296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEBCSNRNXPNTCE-VCHYOVAHSA-N", "SMILES:Cc1nc2c([nH]1)C(=O)/C(=N/c1ccccc1)C(Cl)=C2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265945", "category": ["biolink:ChemicalEntity"], "name": "IRISOLIDONE", "xref": ["InChIKey:VOOFPOMXNLNEOF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL258938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULDBILQQZDKBPX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)C1C(=O)C2=C(CCCC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRFKBRPHBYCMQU-IVZWLZJFSA-N", "SMILES:CC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO"], "chembl_natural_product": true}
{"name": "Ribonuclease pancreatic", "xref": ["CHEMBL.TARGET:CHEMBL5425"], "id": "UniProtKB:P07998", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOOPKANIPLQPU-XVFCMESISA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL259808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZRPYTUJUAJMJJ-BFHYXJOUSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVWEUHJARWCDV-RQSRSJTKSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@H](CCCO)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL263394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUBJVSPKMKWGMZ-WDTABKJVSA-N", "SMILES:C=C1C[C@@H](CCCO)[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXZHVLCRESAIHO-GNHRZIBZSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@H](CCCO)[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXZHVLCRESAIHO-MJMDOHFTSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@H](CCCO)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL264926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOMEOHDDSNIEF-FQEVSTJZSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-c2ccsc2)cc1)NC(=O)CCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPYGSQPRAHMDPD-HNNXBMFYSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCC(=O)NO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL259708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYTZMWKLZIXTB-IBGZPJMESA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-c2ccsc2)cc1)NC(=O)CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUKZWUYSEFVTRB-OSWZUBHSSA-N", "SMILES:CC1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFVNATYYXBMGO-INIZCTEOSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)OC(C)(C)C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDUISXGNKFKCM-VAOFZXAKSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@](C#N)(CO)S2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFFVWCPMWHVJMB-YGOYTEALSA-N", "SMILES:C#C[C@]1(CO)S[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMZUWJMJSKMON-UHFFFAOYSA-N", "SMILES:CN(C)CCC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL264166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZXMNZWXKWSYMY-UHFFFAOYSA-N", "SMILES:CN(C)CCC(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGXUJCEBOCIIT-UHFFFAOYSA-N", "SMILES:CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYDNGDNBIIYOX-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL166486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXOYSZHUFZKHN-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1"]}
{"name": "Catechol O-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3286068"], "id": "UniProtKB:O88587", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL263638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFEAURPDDCSCJD-GHLZQXTLSA-N", "SMILES:C=C1C[C@H](C[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O)C(=C)[C@H](O)C4)CCC[C@]23C)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFEAURPDDCSCJD-AZRXGHRDSA-N", "SMILES:C=C1C[C@@H](C[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O)C(=C)[C@H](O)C4)CCC[C@]23C)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLUSMAFXENNUTF-KBXCAEBGSA-N", "SMILES:C[C@H](Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLUSMAFXENNUTF-RDTXWAMCSA-N", "SMILES:C[C@@H](Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZATGFXTWDKIEKC-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL271984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVQWFPDIYQCSF-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGINJTUIQUFAPP-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cccc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL271188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYFBDMFXIXDJSD-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVRHVPRSRWLBG-ZPUQHVIOSA-N", "SMILES:O=C(/C=C/c1c(Br)cc(O)cc1Br)/C=C/c1c(Br)cc(O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQGETSBTHUXCB-ZPUQHVIOSA-N", "SMILES:O=C(/C=C/c1c(O)cc(Br)cc1Br)/C=C/c1c(O)cc(Br)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMECOJUNMVYXAL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2cc(Br)c(O)c(Br)c2)cc1)c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSOOMOLDJKGHF-IJIVKGSJSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(Br)c1)/C=C/c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBWVEUCVWPBRZ-GRSRPBPQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(Br)c1)/C=C/c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHCKYKRNASTSP-QGVJZHQLSA-N", "SMILES:O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)CCC/C1=C\\c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBZKOOAOHRJMSI-TUOIWHRTSA-N", "SMILES:CN1C/C(=C\\c2cc(Br)c(O)c(Br)c2)C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDNMNJCJIIYJR-NJDSBKIZSA-N", "SMILES:O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)COC/C1=C\\c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMWXPXIXXWVLB-NJDSBKIZSA-N", "SMILES:O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)CSC/C1=C\\c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKNDBKQZUWDHP-YDFGWWAZSA-N", "SMILES:O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1cccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNXXYQVVWAIIR-FACPPWRESA-N", "SMILES:O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFRCMCREDDROK-ZPUQHVIOSA-N", "SMILES:O=C(/C=C/c1cc(Br)c(O)c(Br)c1)CC(=O)/C=C/c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYOSYKZEMWCOB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(NC(=O)c2cc(Br)c(O)c(Br)c2)c1)c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTGMLLOVMYOHRB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Br)c(O)c(Br)c1)c1cccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408917", "category": ["biolink:ChemicalEntity"], "name": "EOSIN", "xref": ["InChIKey:DBZJJPROPLPMSN-UHFFFAOYSA-N", "SMILES:O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br"], "synonym": ["Eosin", "Eosin y", "Acid red 87", "Acid red 87 sodium", "Aka223", "Aka230(1)", "C.i. 45380", "C.i. acid red 87", "Ci 45380", "Ci 45380 (na salt)", "Disodium eosine", "Eosin sodium salt", "Eosin y", "Eosin yellowish", "Eosin ys", "Eosine disodium", "Eosine g", "Eosinum natrum", "Red no. 223", "Red no. 230(1)", "Sodium eosin", "NSC-2087"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLKEKNTCBWPSD-VOMDNODZSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(Br)c2)CCC/C1=C\\c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHVZSURAKANLBT-IJIVKGSJSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(Br)c1)CC(=O)/C=C/c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPZXTAAVVJUOE-UVEKSMONSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(Br)c1)c1ccc(C(=O)/C=C/c2ccc(O)c(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFIGKJKWAPSAZ-KBXRYBNXSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(Br)c1)c1cccc(C(=O)/C=C/c2ccc(O)c(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL264668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLXHSCPOJDDLD-LVOXPBLISA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(Br)c2)Cc2ccccc2/C1=C\\c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKXWUPJIPHMJA-ACFHMISVSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(Br)c2)CSC/C1=C\\c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCODDPXLJUAIEK-ACFHMISVSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(Br)c2)COC/C1=C\\c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMFTTWVELIVCC-CLVAPQHMSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(Br)c2)CN(Cc2ccccc2)C/C1=C\\c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXKBUQVLSTWRY-KAVGSWPWSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(Br)c2)CCCC/C1=C\\c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOMMGMRGDYCYCW-ZPUQHVIOSA-N", "SMILES:O=C(/C=C/c1cc(Br)c(O)c(Br)c1)/C=C/c1cc(Br)c(O)c(Br)c1"]}
{"name": "Histone-lysine N-methyltransferase SETD7", "xref": ["CHEMBL.TARGET:CHEMBL5523"], "id": "UniProtKB:Q8WTS6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYJSJDOHRDAMT-KQWNVCNZSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL251940", "category": ["biolink:ChemicalEntity"], "name": "PERICIAZINE", "xref": ["InChIKey:LUALIOATIOESLM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2"], "synonym": ["Periciazine", "Pericyazine", "Periciazine", "Periciazina", "Propericiazine", "NSC-758641", "RP 8909", "RP 8909SKF 20716", "RP-8909", "SKF 20716", "SKF-20716", "Neulactil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1085", "category": ["biolink:ChemicalEntity"], "name": "ACETOPHENAZINE", "xref": ["InChIKey:WNTYBHLDCKXEOT-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2"], "synonym": ["Acetophenazine", "Acetophenazine", "Acetofenazina"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL323197", "category": ["biolink:ChemicalEntity"], "name": "MANGOSTIN", "xref": ["InChIKey:GNRIZKKCNOBBMO-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C"], "chembl_natural_product": true}
{"name": "Tyrosine-protein kinase SYK", "xref": ["CHEMBL.TARGET:CHEMBL4364"], "id": "UniProtKB:Q64725", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZXFTKZUMARDU-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL261706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRKKJHJIWCRNCW-UHFFFAOYSA-N", "SMILES:COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL70", "category": ["biolink:ChemicalEntity"], "name": "MORPHINE", "xref": ["InChIKey:BQJCRHHNABKAKU-KBQPJGBKSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5"], "synonym": ["Morphine", "Morphine", "Morphine", "Anhydrous morphine", "Morphia", "Morphine", "Morphine (anhydrous)", "Morphine anhydrous", "Morphine extended release", "Morphine polistirex", "Morphium", "Nepenthe", "Ospalivina", "IDS-NM-009", "N02AA01", "Hydromorphone hydrochloride impurity, morphine-"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL80", "category": ["biolink:ChemicalEntity"], "name": "NALOXONE", "xref": ["InChIKey:UZHSEJADLWPNLE-GRGSLBFTSA-N", "SMILES:C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5"], "synonym": ["Naloxone", "Naloxone", "Naloxone", "Naloxona", "Naloxone", "Dbl naloxone", "Naloxone", "NSC-70413", "Naloxone"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL13786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFGBQHOOROIVKG-FKBYEOEOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL255300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXSIJWJXMWBCBX-NWKQFZAZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATFNEMGBRWLHI-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein kinase PknG", "xref": ["CHEMBL.TARGET:CHEMBL6070"], "id": "UniProtKB:P9WI73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL381623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMIJQZPHGJALC-JOCHJYFZSA-N", "SMILES:CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEWHKYJURDBRMN-UHFFFAOYSA-M", "SMILES:CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUEZQOMBHXIFLS-UHFFFAOYSA-N", "SMILES:COC1(C#CC(C)(c2ccccc2)c2ccccc2)CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMAOIAFUZKMAOY-UHFFFAOYSA-N", "SMILES:COC1(C#CC(C#N)(c2ccccc2)c2ccccc2)CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIYINODUENLYSI-HSZRJFAPSA-N", "SMILES:COC(C#C[C@@]1(OC)CN2CCC1CC2)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELSLLUJXUXNOB-RPBOFIJWSA-N", "SMILES:CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCCC2)CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL264414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVUQKJVYIDTLN-RPWUZVMVSA-N", "SMILES:CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKBVALDNMYEBZ-DHIUTWEWSA-N", "SMILES:CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKBVALDNMYEBZ-PKTZIBPZSA-N", "SMILES:CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259025", "category": ["biolink:ChemicalEntity"], "name": "EDGEWORIN", "xref": ["InChIKey:WNLKKLCKMRDNHF-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(Oc3cc4ccc(O)cc4oc3=O)cc2o1"], "chembl_natural_product": true}
{"name": "DNA polymerase beta", "xref": ["CHEMBL.TARGET:CHEMBL2392"], "id": "UniProtKB:P06746", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12318", "category": ["biolink:ChemicalEntity"], "name": "CLODRONIC ACID", "xref": ["InChIKey:ACSIXWWBWUQEHA-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(Cl)(Cl)P(=O)(O)O"], "synonym": ["Clodronic acid", "Clodronic acid", "Clodronic acid", "Acide clodronique", "Acido clodronico", "Clodronic acid", "Clodronate", "Clodronic acid", "Clodronic acid"], "chembl_natural_product": true}
{"name": "Type IV secretion-like conjugative transfer relaxase protein TraI", "xref": ["CHEMBL.TARGET:CHEMBL4296318"], "id": "UniProtKB:B1LRJ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:439855"]}
{"id": "CHEMBL.COMPOUND:CHEMBL871", "category": ["biolink:ChemicalEntity"], "name": "ETIDRONIC ACID", "xref": ["InChIKey:DBVJJBKOTRCVKF-UHFFFAOYSA-N", "SMILES:CC(O)(P(=O)(O)O)P(=O)(O)O"], "synonym": ["Etidronic acid", "Etidronic acid", "Etidronic acid", "Acide etidronique", "Acido etidronico", "Etidronic acid", "Etidronate", "Etidronic acid", "M05BA01", "NSC-227995", "Etidronic acid"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL256107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLZLWMYQDSDEB-VPWBKDPUSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2CO[C@H]3OCC[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BINXAIIXOUQUKC-UIPNDDLNSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL178593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNEIRZJZTYYDES-VPZBFSRCSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYBDPVQMILRSMK-GRXYLYAXSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C[C@@H]2CCO[C@@H]2C1)S(=O)(=O)c1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNXUZAOQXFTGTG-GOIXWRCSSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1C[C@@H]2CCO[C@@H]2C1)S(=O)(=O)c1ccc(CO)cc1"]}
{"name": "Thioredoxin reductase 1, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL6035"], "id": "UniProtKB:O89049", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXFCIXRFAJRBSG-UHFFFAOYSA-N", "SMILES:NCCCNCCNCCCN"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL260856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCMPZBLKLEWAF-IVDGPIMFSA-N", "SMILES:C[C@@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL409053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIKHOKUJARYGT-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSNXGHTSUFAOZ-UHFFFAOYSA-N", "SMILES:CC1CCCN(CC(O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKBJYZIPERAYHC-UHFFFAOYSA-N", "SMILES:Cc1cc(NNC(=O)C(c2ccccc2)c2ccccc2)c2ccc(C)c(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLRYCURXUALAI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCNC(=O)CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMKDRGPMQRFJGP-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL23194", "category": ["biolink:ChemicalEntity"], "name": "SPERMINE", "xref": ["InChIKey:PFNFFQXMRSDOHW-UHFFFAOYSA-N", "SMILES:NCCCNCCCCNCCCN"], "synonym": ["Spermine", "4,9-diazadodecamethylenediamine", "Actilip sp-91", "Gerotine", "Musculamine", "Neuridine", "Spermine", "NSC-268508"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL406836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKSBPJHYGYRHHG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c(=O)c1c3ccccc3cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1380", "category": ["biolink:ChemicalEntity"], "name": "ABACAVIR", "xref": ["InChIKey:MCGSCOLBFJQGHM-SCZZXKLOSA-N", "SMILES:Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1"], "synonym": ["Abacavir", "Abacavir", "Abacavir", "Abacavir", "Abacavir", "Abacavir", "Avacavir", "Epzicom", "NSC-742406", "Ziagen"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "ATP-binding cassette sub-family C member 3", "xref": ["CHEMBL.TARGET:CHEMBL5918"], "id": "UniProtKB:O15438", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593", "category": ["biolink:ChemicalEntity"], "name": "DELAVIRDINE", "xref": ["InChIKey:WHBIGIKBNXZKFE-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1"], "synonym": ["Delavirdine", "Delavirdine", "Delavirdina", "Delavirdine", "Delavirdine", "U-90152"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL398714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNZCSGYHILBXLL-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHFXDLHZUPSDA-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3F)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257362", "category": ["biolink:ChemicalEntity"], "name": "IODOACETAMIDE ALKYNE", "xref": ["InChIKey:YCRUVTMZPHEOAM-UHFFFAOYSA-N", "SMILES:C#CCCCCNC(=O)CI"]}
{"name": "Transient receptor potential cation channel subfamily A member 1", "xref": ["CHEMBL.TARGET:CHEMBL1075310"], "id": "UniProtKB:Q8BLA8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUGHPDIXXDVLK-FMIVXFBMSA-N", "SMILES:C#CCN1C(=O)/C(=C/C(C)=O)c2ccccc21"], "synonym": ["SCAlkyne"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401514", "category": ["biolink:ChemicalEntity"], "name": "PROPARGYL ISOTHIOCYANATE", "xref": ["InChIKey:XCXOHPXTLZMKQJ-UHFFFAOYSA-N", "SMILES:C#CCN=C=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZKBLHCEDVWPRN-JXMROGBWSA-N", "SMILES:CC(=O)/C=C1/C(=O)N(C)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL256738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKQFZURBRODMI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)SCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276727", "category": ["biolink:ChemicalEntity"], "name": "IODOACETAMIDE", "xref": ["InChIKey:PGLTVOMIXTUURA-UHFFFAOYSA-N", "SMILES:NC(=O)CI"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL233248", "category": ["biolink:ChemicalEntity"], "name": "ALLYL ISOTHIOCYANATE", "xref": ["InChIKey:ZOJBYZNEUISWFT-UHFFFAOYSA-N", "SMILES:C=CCN=C=S"], "synonym": ["Allyl isothiocyanate", "Allyl isothiocyanate, stabilized", "Mustard oil", "Oil, mustard", "Oil,mustard", "FEMA NO. 2034", "NSC-5572", "Allyl isothiocyanate", "Allyl isothiocyanate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL258405", "category": ["biolink:ChemicalEntity"], "name": "ICILLIN", "xref": ["InChIKey:RCEFMOGVOYEGJN-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O"], "synonym": ["Icilin", "Icillin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXRDXTYPCPBTI-UHFFFAOYSA-N", "SMILES:O=C(O)CCCN1C(=O)c2cccc3cccc(c23)C1=O"]}
{"name": "TCP pilus virulence regulatory protein", "xref": ["CHEMBL.TARGET:CHEMBL4105813"], "id": "UniProtKB:A5F384", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:345073"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPMJOBXVCLQDK-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCCC(N2C(=O)c3cccc4cccc(c34)C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKENFSHBVDYOBT-UHFFFAOYSA-N", "SMILES:COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYSLWKQHRAPLN-UHFFFAOYSA-N", "SMILES:O=C(O)CCN1C(=O)c2cccc3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63055", "category": ["biolink:ChemicalEntity"], "name": "ALRESTATIN", "xref": ["InChIKey:GCUCIFQCGJIRNT-UHFFFAOYSA-N", "SMILES:O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O"], "synonym": ["Alrestatin", "Alrestatine", "Alrestatina", "AY-22284", "NSC-299132"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL260775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDOBOPJBMQURAT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRFLKWBRKXEDY-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2cccc(Cl)c2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWZFTPOUFCNODC-UHFFFAOYSA-N", "SMILES:COc1c(Cl)cccc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXCTFAAJSQSIY-ZQKOSHQGSA-N", "SMILES:CC(CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[C@H](O)C(=O)N[C@H]1Cc2ccc3c(c2)[C@]24c5cccc(c5O[C@@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc(oc24)[C@H](C(C)C)NC1=O"]}
{"name": "Ornithine aminotransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5954"], "id": "UniProtKB:P04181", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJNIHWSOVCDBHS-UHFFFAOYSA-N", "SMILES:C#CC(N)CCC(=O)O"]}
{"name": "Ornithine aminotransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL1075297"], "id": "UniProtKB:P29758", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNMWKSURFWKAL-HXOBKFHXSA-N", "SMILES:COc1ccc2nccc(C(=O)CC[C@@H]3CCN(CC#Cc4cc(F)cc(F)c4F)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23588", "category": ["biolink:ChemicalEntity"], "name": "FLUFENAMIC ACID", "xref": ["InChIKey:LPEPZBJOKDYZAD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1"], "synonym": ["Flufenamic acid", "Flufenamic acid", "Flufenamic acid", "Flufenamic acid", "Acide flufenamique", "Acido flufenamico", "Flufenamic acid", "Flufenamic acid", "Flufenamate", "Flufenamic acid", "CI 440", "CI-440", "CN-27,554", "CN-27554", "INF-1837", "NSC-219007", "NSC-82699", "Arlef", "Meralen", "Flufenamic acid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444109", "category": ["biolink:ChemicalEntity"], "name": "GAMBOGIC AMIDE", "xref": ["InChIKey:NFVXKLYWFCNBCO-JDDSCDDDSA-N", "SMILES:CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4CC1C(C)(C)O[C@@]2(C/C=C(/C)C(N)=O)C4=O)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL555017", "category": ["biolink:ChemicalEntity"], "name": "GAMBOGIC ACID", "xref": ["InChIKey:GEZHEQNLKAOMCA-RRZNCOCZSA-N", "SMILES:CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O"], "synonym": ["Gambogic Acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL250402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZGVJHSBRGZEML-UYTNDSKYSA-N", "SMILES:CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12C(C[C@@H]4CC1C(C)(C)O[C@@]2(CCC(C)C(=O)O)C4O)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL401607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVWYYWIRLPBRTO-NBFOIZRFSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)C(Cc2c[nH]c3cc(Br)ccc23)NC1=O"], "synonym": ["6-bromotryptophanarginine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL259739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTOLNXAGCUTHBW-UHFFFAOYSA-P", "SMILES:C[n+]1cc(NC(=O)c2ccc3ccc4ccc(C(=O)Nc5cc6ccccc6[n+](C)c5)nc4c3n2)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPOOEJJPTYXNTN-UHFFFAOYSA-P", "SMILES:C[n+]1cc(NC(=O)c2cccc(C(=O)Nc3cc4ccccc4[n+](C)c3)n2)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443683", "category": ["biolink:ChemicalEntity"], "name": "TELOMESTATIN", "xref": ["InChIKey:YVSQVYZBDXIXCC-UHFFFAOYSA-N", "SMILES:Cc1oc2nc1-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)C1=NC(CS1)c1nc-2c(C)o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL259658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVSNRVCSRXZED-XAGHGKQISA-N", "SMILES:COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQYBTYFKOHPWQT-VGSWGCGISA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO"], "chembl_natural_product": true}
{"name": "UDP-3-O-acyl-N-acetylglucosamine deacetylase", "xref": ["CHEMBL.TARGET:CHEMBL1075040"], "id": "UniProtKB:O67648", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:224324"]}
{"name": "Glucocorticoid receptor", "xref": ["CHEMBL.TARGET:CHEMBL3368"], "id": "UniProtKB:P06536", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYYHAZVNHMRMQ-XKZIYDEJSA-N", "SMILES:COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3"]}
{"name": "Glucocorticoid receptor", "xref": ["CHEMBL.TARGET:CHEMBL3144"], "id": "UniProtKB:P06537", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485", "category": ["biolink:ChemicalEntity"], "name": "CODEINE", "xref": ["InChIKey:OROGSEYTTFOCAN-DNJOTXNNSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341"], "synonym": ["Codeine", "Codeine", "Codeine", "Codeine monohydrate", "Codeinum", "Codeinum monohydricum", "Dea no. 9050", "IDS-NC-005(SECT.-2)"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL261048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXKCCDLLDWFIH-UICACZKSSA-N", "SMILES:CN1CC[C@]23c4c5cccc4O[C@H]2CCC[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358043", "category": ["biolink:ChemicalEntity"], "name": "HETEROCODEINE", "xref": ["InChIKey:FNAHUZTWOVOCTL-XSSYPUMDSA-N", "SMILES:CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL258669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHQLDQVBAFNJM-ZWRJDUBHSA-N", "SMILES:CN1CC[C@]23c4c5cccc4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNZTGLNKBWNHM-SCGCMHLBSA-N", "SMILES:COc1ccc2c3c1O[C@H]1CC=C[C@H]4[C@@H](C2)N(C)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJFKTKRRMLCEB-GMIGKAJZSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2CC=C[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBMVDXXIQASRIE-QGMBQPNBSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC/C=C1\\CCCc3c(OC)cccc31)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53929", "category": ["biolink:ChemicalEntity"], "name": "OCTOPAMINE", "xref": ["InChIKey:QHGUCRYDKWKLMG-UHFFFAOYSA-N", "SMILES:NCC(O)c1ccc(O)cc1"], "synonym": ["Octopamine", "Octopamine", "Octopamina", "ND 50", "ND-50", "NSC-757399"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6437", "category": ["biolink:ChemicalEntity"], "name": "MIANSERIN", "xref": ["InChIKey:UEQUQVLFIPOEMF-UHFFFAOYSA-N", "SMILES:CN1CCN2c3ccccc3Cc3ccccc3C2C1"], "synonym": ["Mianserin", "Mianserin", "Mianserin", "Mianserine", "Mianserina", "Mianserin", "Mianserin", "Tolvon", "J16.389I"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL93240", "category": ["biolink:ChemicalEntity"], "name": "METITEPINE", "xref": ["InChIKey:RLJFTICUTYVZDG-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2"], "synonym": ["Metitepine", "Metitepina", "Methiotepin", "Methiothepine", "NSC-759875", "RO 8-6837", "RO-8-6837"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL260272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBHIQIDXNCMEY-UHFFFAOYSA-N", "SMILES:O=C1CC2(C(=O)N1Cc1ccccc1)C(=O)N(Cc1nnn[nH]1)c1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL130266", "category": ["biolink:ChemicalEntity"], "name": "URIDINE_DIPHOSPHATE", "xref": ["InChIKey:XCCTYIAWTASOJW-XVFCMESISA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL403153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJAMDUWBIUICP-ITRMZWSLSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@@H](SC[C@H](N)CNC(=O)O)[C@@H](O)CCCC(=O)O"]}
{"name": "Cysteinyl leukotriene receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1075218"], "id": "UniProtKB:Q924T8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUFSINOSQBMSLE-JOCHJYFZSA-N", "SMILES:O=C(Nc1ccccc1-c1cn2c(CN3CC[C@@H](O)C3)csc2n1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBEWVVLMFLTQFE-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IASPBORHOMBZMY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXHFROQSXZYLLU-NUQQNKIWSA-N", "SMILES:C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNXNKRVKJHRQD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Sc3ccc([N+](=O)[O-])cc3)c3ccoc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLFJXQXFECJCAJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCN/C(=N/C#N)N1CCc2cc(OC)c(OC)cc2C1Cc1ccc(OC)c(OC)c1"]}
{"name": "ATP-dependent translocase ABCB1", "xref": ["CHEMBL.TARGET:CHEMBL1075229"], "id": "UniProtKB:P43245", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHPYHCSGCLCMN-FGZHOGPDSA-N", "SMILES:CC(=O)c1ccc(NC(=O)OC[C@H]2OC(=O)N[C@@H]2CN2CCN(c3ccccc3)CC2)cc1"]}
{"name": "Guanyl-specific ribonuclease T1", "xref": ["CHEMBL.TARGET:CHEMBL1075043"], "id": "UniProtKB:P00651", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:510516"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADUKDCKEBZPEDT-FPSALIRRSA-N", "SMILES:CCCCCCC(=O)N(CC(=O)O)C[C@@H]1CSC(c2ccccc2)N1C(=O)c1ccccc1"]}
{"name": "Probable flavin-dependent thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL1075203"], "id": "UniProtKB:O41156", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10506"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBKGPAHWJRNIM-MYJWUSKBSA-N", "SMILES:CCOC(=O)[C@@H]1CSC(c2ccccc2)N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWAVDWACJJJER-UHFFFAOYSA-N", "SMILES:COc1ccc(SC2=C(Cl)C(=O)c3nc(-c4ccccc4)[nH]c3C2=O)cc1"]}
{"name": "RAC-alpha serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL1075215"], "id": "UniProtKB:P47196", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFDPXLUZWJSHBL-UHFFFAOYSA-N", "SMILES:Clc1nc(-c2cccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJYJKJUDWOECT-SECBINFHSA-N", "SMILES:OC[C@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJYJKJUDWOECT-VIFPVBQESA-N", "SMILES:OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAQGMMDINLWTBJ-UHFFFAOYSA-N", "SMILES:OCCNc1nc(-c2nccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGVLPPKIZVIOR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(-c2nccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPCQDRGHQVPEGR-UHFFFAOYSA-N", "SMILES:c1csc(-c2nc(C3CC3)nc3ccsc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCGFASHRDSXLNN-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(-c2nccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBPGRWRSLAHEX-UHFFFAOYSA-N", "SMILES:Clc1nc(-c2nccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJYNCQEEXAZPF-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2cnccn2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIIZNLIOWNGHCW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N(C)C)nc3ccsc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRUBGPMMGVDXDJ-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2ccccn2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKGOKLKEMKEDFN-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2cn[nH]c2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBJKDFKVLVPFI-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2nccn2C)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFROMHAKVQVKQX-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2ncc[nH]2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZWYHQYSZQCEB-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2nc(N(C)C)nc3ccsc23)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLNAONFFGCVNG-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2nc(N(C)C)nc3ccsc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKUYOQQESUGNM-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2nc(N(C)C)nc3ccsc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLNBBLGSLDNSMF-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2nccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWTXHGKRHJCTKE-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2nccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VONRTYGRAFFNFN-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2ccoc2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVGVVIYUCCTBU-UHFFFAOYSA-N", "SMILES:OCCNc1nc(-c2ccco2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZNJNOVLJASQX-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2ccco2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXENVOVUMSKHIR-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2ccco2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJILBKPHHSQIHX-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccco2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARPSUXKIHNZLQL-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRBONJUPIUVING-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2cc3ccccc3s2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMIBLJSKYDOQY-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2cccc(C)n2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLBQJZGTPMDPY-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2ccccn2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUVWJUFHLHQBGQ-UHFFFAOYSA-N", "SMILES:CCc1nc(-n2nccn2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSWIQFDBESSLGO-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2ncc[nH]2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLYXEOIYQFPSB-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2nc(C)cs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNBYJWXOQPYWEM-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2nccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVRNMWQROQLUBA-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2ccoc2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHUXPVSRYTEBO-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2ccco2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNJFMGHISFAAZ-UHFFFAOYSA-N", "SMILES:OCCNc1nc(-c2cccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAACASDXFXZSN-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2cccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKICNAFISUHIE-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2cccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWFQBTPSFUTIDF-UHFFFAOYSA-N", "SMILES:COc1nc(-c2cccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDFKCHXFHIXPU-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2cccs2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APIJHPAXMCKJBY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXBEOHCOCMKAC-UTOQUPLUSA-N", "SMILES:C=CC/C=C\\C/C=C\\CCCCCCCc1cc(O)cc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNAOXZKMHHMJN-HWWQOWPSSA-N", "SMILES:C=C[C@@H]1[C@H]2C=C(C)C[C@]1(NC)c1ccc(=O)[nH]c1C2"], "chembl_natural_product": true}
{"name": "Cholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL2528"], "id": "UniProtKB:Q03311", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54126", "category": ["biolink:ChemicalEntity"], "name": "NEOSTIGMINE BROMIDE", "xref": ["InChIKey:LULNWZDBKTWDGK-UHFFFAOYSA-M", "SMILES:CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]"], "synonym": ["Neostigmine bromide", "Neostigmine bromide", "Bromure de neostigmine", "Bromuro de neostigmina", "Neo proserine", "Kirkstigmine bromide", "Neo proserine", "Neoproserine", "Neostigmini bromidum", "Syntostigmin bromide", "Vagostigmin", "NSC-757233"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL44", "category": ["biolink:ChemicalEntity"], "name": "GENISTEIN", "xref": ["InChIKey:TZBJGXHYKVUXJN-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12"], "synonym": ["Genistein", "Genisteine", "Genisteina", "Genistein", "Sparteine l-.alpha.-isosparteine", "(-)-.alpha.-isosparteine", ".alpha.-isospartein", ".alpha.-isosparteine", ".alpha.-isosparteine, (-)-", ".alpha.-sparteine", "11-isosparteine", "4',5,7-trihydroxyisoflavone", "Genistein", "Genisteine-alkaloid", "Isosparteine, alpha-", "Sophoricol", "Sparteine l-.alpha.-isosparteine", "BIO 300", "BIO-300", "FW-635I-2", "NPI-031L", "NSC-36586", "NSC-366737", "SIPI-807-1", "Bonistein", "Genistein", "Genistein"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL164", "category": ["biolink:ChemicalEntity"], "name": "MYRICETIN", "xref": ["InChIKey:IKMDFBPHZNJCSN-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL15075", "category": ["biolink:ChemicalEntity"], "name": "VERONGAMINE", "xref": ["InChIKey:MFMMJKGZEGTTSV-DEDYPNTBSA-N", "SMILES:COc1ccc(C/C(=N\\O)C(=O)NCCc2c[nH]cn2)cc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452240", "category": ["biolink:ChemicalEntity"], "name": "TURBINATINE", "xref": ["InChIKey:XAYUCVICBPYPRE-LPRPFWDGSA-N", "SMILES:C=C[C@H]1[C@@H](/C(=C/O)C(=O)OC)C[C@H]2c3[nH]c4ccccc4c3CCN2[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL453150", "category": ["biolink:ChemicalEntity"], "name": "DESOXYCORDIFOLINE", "xref": ["InChIKey:APMZCJQXEGDAIT-HPFOYPDHSA-N", "SMILES:C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL36327", "category": ["biolink:ChemicalEntity"], "name": "EPICATECHIN GALLATE", "xref": ["InChIKey:LSHVYAFMTMFKBA-TZIWHRDSSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483649", "category": ["biolink:ChemicalEntity"], "name": "SALASPERMIC ACID", "xref": ["InChIKey:ZXENWDWQTWYUGY-RFBMWCEQSA-N", "SMILES:C[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]45C)[C@@H]2CC[C@@]1(O)OC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL464293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMRYMQUDCGCFD-QZTJIDSGSA-N", "SMILES:CCC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O"], "chembl_natural_product": true}
{"name": "Calmodulin", "xref": ["CHEMBL.TARGET:CHEMBL6092"], "id": "UniProtKB:P62157", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCZPPRRLCNDAZ-CYBMUJFWSA-N", "SMILES:COc1c2c(cc3oc(C)cc(=O)c13)OC(C)(C)[C@H](O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL503137", "category": ["biolink:ChemicalEntity"], "name": "(+)-LOMATIN", "xref": ["InChIKey:UJSHBYQGQRPVNO-LLVKDONJSA-N", "SMILES:CC1(C)Oc2ccc3ccc(=O)oc3c2C[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDDPVXHWOABQJQ-UONOGXRCSA-N", "SMILES:CO[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDDPVXHWOABQJQ-ZIAGYGMSSA-N", "SMILES:CO[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL518222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXXSWJDIFLXSG-MRXNPFEDSA-N", "SMILES:COc1c2c(cc3oc(C)cc(=O)c13)OC(C)(C)[C@H](OC(=O)C(C)C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNOQNIIIQHXDAV-CGICMKJESA-N", "SMILES:C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(C)cc(=O)c3c2OC)OC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL449490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHNHXIOSSYBJU-CQSZACIVSA-N", "SMILES:CC(C)C(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL457257", "category": ["biolink:ChemicalEntity"], "name": "JATAMANSIN", "xref": ["InChIKey:RRHCDWLSHIIIIT-NVWZYQMFSA-N", "SMILES:C/C=C(/C)C(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL70302", "category": ["biolink:ChemicalEntity"], "name": "SERAVSHANIN", "xref": ["InChIKey:BUTUNJHEBGRWGK-QZTJIDSGSA-N", "SMILES:CC(=O)O[C@@H]1[C@H](OC(=O)C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJWFOHVSTFGWGZ-YCDQCDSPSA-N", "SMILES:C/C=C(/C)C(=O)O[C@@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL518224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHCPPFWOQPOFRF-HZPDHXFCSA-N", "SMILES:CC(C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O"], "chembl_natural_product": true}
{"name": "Calmodulin", "xref": ["CHEMBL.TARGET:CHEMBL5945"], "id": "UniProtKB:P04353", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBKDBZXOAEMOT-KVTDHHQDSA-N", "SMILES:C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "Tissue alpha-L-fucosidase", "xref": ["CHEMBL.TARGET:CHEMBL3545"], "id": "UniProtKB:Q2KIM0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTNHKDHQKRJTIU-DKXJUACHSA-N", "SMILES:O[C@H]1C[C@H](O)[C@H]2[C@@H](O)CCN2C1"], "chembl_natural_product": true}
{"name": "Sucrase-isomaltase, intestinal", "xref": ["CHEMBL.TARGET:CHEMBL3114"], "id": "UniProtKB:P23739", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEBMLJSOUMSIH-FEHMIHBQSA-N", "SMILES:CC1=CCC[C@H]2[C@](C)(CC3=CC(=O)C=C(O)C3=O)[C@@H](C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL465323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEMBAQORKKQPSC-YVUMSICPSA-N", "SMILES:COC1=CC(=O)C(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@@H]23)=C(O)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANVRUQTXGDQDJ-NUATZEMDSA-N", "SMILES:CC1=CCC[C@H]2[C@](C)(CC3=C(O)C(=O)C=C(O)C3=O)[C@@H](C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL103552", "category": ["biolink:ChemicalEntity"], "name": "LAVENDUSTIN A", "xref": ["InChIKey:ULTTYPMRMMDONC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(N(Cc2ccccc2O)Cc2cc(O)ccc2O)ccc1O"], "chembl_natural_product": true}
{"name": "Epidermal growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL3608"], "id": "UniProtKB:Q01279", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230006", "category": ["biolink:ChemicalEntity"], "name": "ENOXOLONE", "xref": ["InChIKey:MPDGHEJMBKOTSU-YKLVYJNSSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"], "synonym": ["Enoxolone", "Enoxolone", "Enoxolona", "Enoxolone", "NSC-35347", "NSC-35350"], "chembl_natural_product": true}
{"name": "Aldo-keto reductase family 1 member D1", "xref": ["CHEMBL.TARGET:CHEMBL5760"], "id": "UniProtKB:P31210", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511334", "category": ["biolink:ChemicalEntity"], "name": "KHUSIMOL", "xref": ["InChIKey:OOYRHNIVDZZGQV-BHPKHCPMSA-N", "SMILES:C=C1[C@H]2CC[C@H](CO)[C@@]23CC[C@H](C3)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL470464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJSHPGTCADRKQ-RLWWEDLESA-N", "SMILES:CC1=C(/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOKTXTBYOYCHCZ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYZMGCAMZWVJGZ-UHFFFAOYSA-N", "SMILES:Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZJMMAGCBQXBS-UHFFFAOYSA-N", "SMILES:Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSKLDJRIBICHHV-UHFFFAOYSA-N", "SMILES:Cn1cc(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQSVMOZWLRRFGG-UHFFFAOYSA-N", "SMILES:Cn1cc(N(Cc2ccccc2)c2ccc(C#N)cc2)cc1C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPACZZZMQJDAOL-UHFFFAOYSA-N", "SMILES:Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPKLCJYYBGNGM-UHFFFAOYSA-N", "SMILES:CCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(CC)CC)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXAKQSOMJQXBST-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCNCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCNCC3)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVRZEPJBMFCNQ-UHFFFAOYSA-N", "SMILES:CCNCCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCNCC)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JELVSCOBEUHNBV-UHFFFAOYSA-N", "SMILES:CCCNCCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCNCCC)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIMGGRBZTYNLQQ-UHFFFAOYSA-N", "SMILES:CN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(C)C)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUHVIUIKBRCMP-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCCCC3)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL144757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUZAYOMYKDAXQR-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCCC3)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZVFURKQYHRIBV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(OCc3cc4cnc(C#N)nc4n3CCC3CCCCC3)cc2)CC1"]}
{"name": "Cathepsin S", "xref": ["CHEMBL.TARGET:CHEMBL4098"], "id": "UniProtKB:O70370", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUMYYTORLYHUFW-ZUDLOMHPSA-N", "SMILES:CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL519459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPPVOXSDPRVDMT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2ccc(OCc3cc4cnc(C#N)nc4n3CCC3CCCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUICXLFAQWTQHG-UHFFFAOYSA-N", "SMILES:CC(C)(C)CCn1c(Cc2ccc(Cl)cc2)cc2cnc(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVZDDYARZWATR-KRWDZBQOSA-N", "SMILES:O=C(N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEBLBGFGWQSRQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(-c2c(F)c(F)c(C#N)c(F)c2F)c2c(F)c(F)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWYVAYPBZCRQDR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1c2c(c3ccccc31)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFDDPSORNXELF-UHFFFAOYSA-N", "SMILES:CCN1CCc2c(n(S(=O)(=O)c3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTKPMTBPHUHLSM-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(C2CCCCC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSDKZXHZNZLGF-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(C2CCCC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDTBJKAQUOZWHX-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(CCc2ccccc2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVDXERBKRTATC-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(Cc2ccccc2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDRACNRXCQNYIU-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(C(C)C)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVEPNFFWJPQTIR-UHFFFAOYSA-N", "SMILES:CCCN1CCc2c(n(S(=O)(=O)c3cccc(OC)c3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXLHMKOTJUCKL-UHFFFAOYSA-N", "SMILES:CCN1CCc2c(n(S(=O)(=O)c3cccc(OC)c3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSWLSIMHPAPJAE-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(C)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMBZXDHHTHRQGA-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLRVYFAEFJDHJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTVJSZDRKLJLW-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(Cl)cccc2c1)n1c2c(c3ccccc31)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWJLYFTXTXCRO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c2c(c3ccccc31)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCAVKHAOUJAWHT-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(C(F)(F)F)c1)n1c2c(c3ccccc31)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDIYGJJOWTGAR-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSLKOXJCZQBMMT-UHFFFAOYSA-N", "SMILES:Cc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOHNAGJYNISMAD-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Cl)cc1)n1c2c(c3ccccc31)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPFBKVIRCYPNX-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)n1c2c(c3ccccc31)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWHMREXWEQGZAI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1Cl)n1c2c(c3ccccc31)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMHWHBLSFUPSI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)n1c2c(c3ccccc31)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAZUOOFOETYUOC-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(F)c1)n1c2c(c3ccccc31)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFBQNOACAGDIGG-UHFFFAOYSA-N", "SMILES:Cc1c(NS(=O)(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQFDUJAEJSSHJU-UHFFFAOYSA-N", "SMILES:CCC1(CC)C(=O)N(c2ccc(C#N)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476351", "category": ["biolink:ChemicalEntity"], "name": "GW775608X", "xref": ["InChIKey:BOQNSWFZUHQNRG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPSUAHGQHFKGG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL478180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCLOEYKOFPVRZ-VLTJKTHFSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1[C@H](n2ccnc2)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O"]}
{"name": "Calmodulin-sensitive adenylate cyclase", "xref": ["CHEMBL.TARGET:CHEMBL5396"], "id": "UniProtKB:P40136", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1392"]}
{"name": "Aquaporin-4", "xref": ["CHEMBL.TARGET:CHEMBL5964"], "id": "UniProtKB:P55087", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL687", "category": ["biolink:ChemicalEntity"], "name": "ACETYLSULFANILAMIDE", "xref": ["InChIKey:PKOFBDHYTMYVGJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(N)(=O)=O)cc1"], "synonym": ["N4-Acetyl Metabolite"], "chembl_natural_product": true}
{"name": "Aquaporin-4", "xref": ["CHEMBL.TARGET:CHEMBL5965"], "id": "UniProtKB:P55088", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJWUWJSNSDWTL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1C=O)CC(O)OC2"]}
{"name": "Receptor-type tyrosine-protein phosphatase F", "xref": ["CHEMBL.TARGET:CHEMBL3521"], "id": "UniProtKB:P10586", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHHIPNJJEBORFF-RAXMXZHQSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACBBBQNAJFAFV-IYYHOOIISA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTPXCLAUHRNCD-BHOFPIRXSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRVFTJJSHEARZ-BPBSOZPZSA-N", "SMILES:CNCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYHOGWCSGFSFNN-PUADLLEESA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZAYOOJOPITECN-PUADLLEESA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQPTXVNPBKVPKV-XQNVDWLZSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFNHZBTLNAFLE-FKKAZWNESA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGDPKNQHDGATE-AFEFVFPDSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFDVWJMOYKIII-SUZYPONXSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMMUAYZKIXMLRE-AHPGSYNGSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJZDXGQUNVNYQP-WEIVSFBVSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYOJIMKKOGLBNP-ZORMTNKESA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVAWGHCXUQRXLB-AQPQCNDHSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBCVGVFQPMHIIF-BHOFPIRXSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTVTSXTFYXNSG-VDJJYNAHSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOAQFSRQYFNWHM-REVPGNRISA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc([N+](=O)[O-])cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXNXFWJCFNNAGW-FRNCAALFSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](N(C)C(=O)c2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEQLKLNNERRVOU-YSDDOURYSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUVQCBOXOZAGTR-UHFFFAOYSA-N", "SMILES:CCSC(=S)SCC(=O)c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFJDPCAUONRQT-UHFFFAOYSA-N", "SMILES:CCSC(=S)SCC(=O)c1ccc(CC(=O)NCc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKWVQVKWFZHDI-UHFFFAOYSA-N", "SMILES:CCSC(=S)SCC(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243148", "category": ["biolink:ChemicalEntity"], "name": "SOPHORAFLAVANONE G", "xref": ["InChIKey:XRYVAQQLDYTHCL-CMJOXMDJSA-N", "SMILES:C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL496451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTAQQSUPNZAWEY-OSPHWJPCSA-N", "SMILES:C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1OC)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455679", "category": ["biolink:ChemicalEntity"], "name": "KUSHENOL A", "xref": ["InChIKey:OGBMVWVBHWHRGD-MWTRTKDXSA-N", "SMILES:C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1O)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL243796", "category": ["biolink:ChemicalEntity"], "name": "KURARINONE", "xref": ["InChIKey:LTTQKYMNTNISSZ-KESSSICBSA-N", "SMILES:C=C(C)C(CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1O)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL449231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZNCXDOWDWXNA-HQKVTFRRSA-N", "SMILES:CCCCCC[C@H](CCC[C@H](O)[C@H]1CC[C@@H]([C@H]2CC[C@@H]([C@H](O)CCCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1)n1cc(CCc2ccc3c(c2)Oc2cc(O)ccc2C32OC(=O)c3ccccc32)nn1"]}
{"name": "COP9 signalosome complex subunit 7b", "xref": ["CHEMBL.TARGET:CHEMBL5706"], "id": "UniProtKB:Q9H9Q2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutathione S-transferase omega-1", "xref": ["CHEMBL.TARGET:CHEMBL3174"], "id": "UniProtKB:P78417", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5758"], "id": "UniProtKB:P31040", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCMPDOPUFZEHZ-JTHBVZDNSA-N", "SMILES:Nc1ncnc2c1ncn2CCn1cc(CO[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCMPDOPUFZEHZ-FYYLOGMGSA-N", "SMILES:Nc1ncnc2c1ncn2CCn1cc(CO[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJJBGJNOKRGOO-FPLPWBNLSA-N", "SMILES:CCOC(=O)/C=C\\n1nnc(-c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLRCSGWOASZGL-WAYWQWQTSA-N", "SMILES:CCOC(=O)/C=C\\n1nnc(-c2cc(Cl)ccc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLRCSGWOASZGL-AATRIKPKSA-N", "SMILES:CCOC(=O)/C=C/n1nnc(-c2cc(Cl)ccc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGABHGMUSESIG-SREVYHEPSA-N", "SMILES:CCOC(=O)/C=C\\n1nnc(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL527426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWNKORFCWDKXIM-SREVYHEPSA-N", "SMILES:CCOC(=O)/C=C\\n1nnc(-c2cccc(Br)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKYTGQPTQWMFX-SREVYHEPSA-N", "SMILES:CCOC(=O)/C=C\\n1nnc(-c2cccc(I)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AICKZRPQDLFSPA-SREVYHEPSA-N", "SMILES:CCOC(=O)/C=C\\n1nnc(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486133", "category": ["biolink:ChemicalEntity"], "name": "LEPTOMYCIN B", "xref": ["InChIKey:YACHGFWEQXFSBS-XYERBDPFSA-N", "SMILES:CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL486134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTYRSVJRMNIIS-FPLPWBNLSA-N", "SMILES:CCOC(=O)/C=C\\n1cnc(-c2ccccc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXNRTWLQUOURS-FPLPWBNLSA-N", "SMILES:CCOC(=O)/C=C\\n1nnnc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKPYWQKUWHQHLC-SREVYHEPSA-N", "SMILES:CCOC(=O)/C=C\\n1nnnc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKYTGQPTQWMFX-VOTSOKGWSA-N", "SMILES:CCOC(=O)/C=C/n1nnc(-c2cccc(I)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWNKORFCWDKXIM-VOTSOKGWSA-N", "SMILES:CCOC(=O)/C=C/n1nnc(-c2cccc(Br)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGABHGMUSESIG-VOTSOKGWSA-N", "SMILES:CCOC(=O)/C=C/n1nnc(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQOOHCTIKXQDS-BQYQJAHWSA-N", "SMILES:CCOC(=O)/C=C/n1nnc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQOOHCTIKXQDS-FPLPWBNLSA-N", "SMILES:CCOC(=O)/C=C\\n1nnc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AICKZRPQDLFSPA-VOTSOKGWSA-N", "SMILES:CCOC(=O)/C=C/n1nnc(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJJBGJNOKRGOO-BQYQJAHWSA-N", "SMILES:CCOC(=O)/C=C/n1nnc(-c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFTIEVZHOMMXRG-HJWRWDBZSA-N", "SMILES:CCOC(=O)/C=C\\n1nnc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEKFBSWUSPGORQ-HJWRWDBZSA-N", "SMILES:CCOC(=O)/C=C\\n1cnc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FODHWOBAQBTTFS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C#Cc1ccc(CCC(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL485750", "category": ["biolink:ChemicalEntity"], "name": "PLUKENETIONE A", "xref": ["InChIKey:OXIJJPXPEHKVOL-JMKBALHDSA-N", "SMILES:CC(C)=CC[C@]12C[C@@H]3[C@H](C=C(C)C)[C@](CC=C(C)C)(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PREXAGWWLAMIAK-TYENPDHQSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@@H](C1)C1=C(OC2(C)C)C(=O)C2=C(OC(C)(C)[C@@H]3CC[C@@H](C)C[C@@H]23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXUFTXZFAOEQL-XCUDZRBYSA-N", "SMILES:CC1(C)OC2=C(C(=O)C(=O)C3=C2OC(C)(C)[C@H]2COc4ccc5ccccc5c4[C@@H]32)[C@@H]2c3c(ccc4ccccc34)OC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIRBQNWSLYJHC-NSRMISGKSA-N", "SMILES:COc1ccc2c(c1)CO[C@@H]1[C@H]2C2=C(OC1(C)C)C(=O)C1=C(OC(C)(C)[C@H]3COc4cc(OC)ccc4[C@@H]13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIRBQNWSLYJHC-DQVREFFXSA-N", "SMILES:COc1ccc2c(c1)CO[C@@H]1[C@H]2C2=C(OC1(C)C)C(=O)C1=C(OC(C)(C)[C@@H]3COc4cc(OC)ccc4[C@H]13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBOEFUAGSHXPO-XZOTUCIWSA-N", "SMILES:COc1ccc2c(c1)OC[C@H]1[C@@H]2C2=C(OC1(C)C)C1=C(C(=O)C2=O)[C@H]2c3ccc(OC)cc3OC[C@H]2C(C)(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBOEFUAGSHXPO-UWXQAFAOSA-N", "SMILES:COc1ccc2c(c1)OC[C@H]1[C@@H]2C2=C(OC1(C)C)C1=C(C(=O)C2=O)[C@@H]2c3ccc(OC)cc3OC[C@@H]2C(C)(C)O1"]}
{"name": "Nuclear receptor subfamily 1 group I member 3", "xref": ["CHEMBL.TARGET:CHEMBL5503"], "id": "UniProtKB:Q14994", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNJLAPERJEQAO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CCCc2ccccc2)cc1"]}
{"name": "Nuclear receptor subfamily 1 group I member 3", "xref": ["CHEMBL.TARGET:CHEMBL3069"], "id": "UniProtKB:O35627", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZHOSPLFSBOPAC-UHFFFAOYSA-N", "SMILES:COc1ccccc1CC(CC(=O)Cc1ccccc1)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRDYCCJQBXLBG-UHFFFAOYSA-N", "SMILES:NCc1cccc(COc2nc(N)nc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407874", "category": ["biolink:ChemicalEntity"], "name": "6-O-BENZYLGUANINE", "xref": ["InChIKey:KRWMERLEINMZFT-UHFFFAOYSA-N", "SMILES:Nc1nc(OCc2ccccc2)c2nc[nH]c2n1"], "synonym": ["6-o-benzylguanine", "O(6)-benzylguanine", "O6-benzylguanine", "NSC-637037"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL503101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLCHTHMQAIFKIQ-GARMOQFJSA-N", "SMILES:C=C(C)[C@@]12C[C@@H](C)[C@@]34OC(Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(NS(C)(=O)=O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUSBTLVYPZUOAW-QJPTWQEYSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCCC3)O2)c(=O)[nH]c1=O"], "chembl_natural_product": true}
{"name": "Ribonuclease pancreatic", "xref": ["CHEMBL.TARGET:CHEMBL6091"], "id": "UniProtKB:P61823", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMOUOGHZJCSNOZ-YNEHKIRRSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCCCC3)O2)c(=O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPODXOXNOBCNGM-HJQYOEGKSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](CN3CCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCAMYRNNJAIMT-OJAKKHQRSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](CN3CCCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYQLCIKQTYBER-HJQYOEGKSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](CN3CCOCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIDLMJUELAXRU-NMFUWQPSSA-N", "SMILES:CCOC(=O)C1CCN(C[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRNQROQAMJAFLU-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)S(=O)(=O)c1ccc(C(C)(C)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEDHYVRMQALHI-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSMUIKUMVKUDLS-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1CCCNC(=O)Nc1c(CC)cccc1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHJPHZVOSRTEMM-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNXOEMYTQFDEH-GOSISDBHSA-N", "SMILES:COc1ccc(OC)c(CN2C(=O)CS[C@@H]2c2ccc(F)c(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZBSANLBKNMSW-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCC(c1ccccc1)c1ccccc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYEUJKKPISJCRQ-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(Cc2ccc(C)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COLDXSFXFJJTOQ-UHFFFAOYSA-N", "SMILES:CCC(=O)NCC(=O)N1CCCN1C(=O)Cc1c(C)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLMNEYIUJRNHSN-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVIUMGCPNZDTIU-SNVBAGLBSA-N", "SMILES:C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYYLMYJQVNTPO-ZDUSSCGKSA-N", "SMILES:CCc1cc(Br)ccc1S(=O)(=O)Nc1ccccc1[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHVZAKJUVOUBEJ-UHFFFAOYSA-N", "SMILES:CCCCN(c1ccccc1)S(=O)(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFBBVHPNLQIOEM-UHFFFAOYSA-N", "SMILES:CSc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQMRLVVCBNRHLQ-SNVBAGLBSA-N", "SMILES:CSCCN1C(=O)CS[C@@H]1c1ccc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGVRDFACGNXBM-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)Nc1c(C)cccc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454511", "category": ["biolink:ChemicalEntity"], "name": "TRIPHENYL PHOSPHATE", "xref": ["InChIKey:XZZNDPSIHUTMOC-UHFFFAOYSA-N", "SMILES:O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANVREEJNGJMLOV-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(OP(=O)(Oc2ccc(C(C)C)cc2)Oc2ccc(C(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NICCTCZINAGVPL-CVEARBPZSA-N", "SMILES:O=C(NCC1CCCCC1)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLNUPDGWTCRALT-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCSCc1ccccc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNUDEKMWNNMTO-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1csc2ccccc12)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYQDKTLOPLGKSW-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1nc2c(s1)CCCC2)c1ccc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWZSTBUXXVVCKT-CLTKARDFSA-N", "SMILES:O=C1NC(=S)S/C1=C\\c1cc(I)c(O)c(I)c1"]}
{"name": "Arylamine N-acetyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL5724"], "id": "UniProtKB:P50295", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Arylamine N-acetyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL5101"], "id": "UniProtKB:P18440", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UICYAFPSICLIEH-UHFFFAOYSA-N", "SMILES:O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ncc(C(F)(F)F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPQFKRHAIWZFT-UHFFFAOYSA-N", "SMILES:O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUFGARVDQQAFHS-UHFFFAOYSA-N", "SMILES:O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZREXMXJSOWYAPO-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWJQYEMWAXOJCY-UHFFFAOYSA-N", "SMILES:O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSYNFNXUCDHMV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)N1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRWIKAZKQTRNP-CLPBESLVSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)C(C)c2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGGMYFRHMOKCT-OZBJMMHXSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)C(N)c2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKIVGKBKACZRG-FQEVSTJZSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccccc4cc3c3nnc2n13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJOGCBMRSKUIO-FWCANSBWSA-N", "SMILES:CC[C@@]1(O)C(=O)OCC2=C1C=C1c3nc4ccccc4cc3C3NN=C2N13.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRJKBQKOYNBPL-PXNSSMCTSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](N=[N+]=[N-])c2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL453252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNVVWHHPBHFNE-DJUQAAIZSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFCFALJAUPGOM-PXNSSMCTSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](F)c2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFCFALJAUPGOM-XLIONFOSSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@@H](F)c2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZLYXIUDQUBQGU-UHFFFAOYSA-N", "SMILES:Cl.Nc1cc(N)c(N)cc1N"]}
{"name": "Paxillin", "xref": ["CHEMBL.TARGET:CHEMBL5715"], "id": "UniProtKB:P49023", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL147587", "category": ["biolink:ChemicalEntity"], "name": "ISOQUINE", "xref": ["InChIKey:QGFYFOHMBDMGBZ-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL147806", "category": ["biolink:ChemicalEntity"], "name": "GSK-369796", "xref": ["InChIKey:ZVMMVSSEAMUNGI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O"], "synonym": ["Gsk-369796", "Gsk369796", "N-tert-butyl isoquine", "N-tert-butylisoquine", "Ntbisq", "BDBM50134936", "CHEMBL147806", "GSK 369796", "ZINC1912685"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNGYDMQJWMUUBX-KBHQBZIVSA-N", "SMILES:NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@H](Cc2ccc(C(C(=O)O)C(=O)O)cc2)NC(=O)C(=O)O)CCCCC1)C(=O)NCCCc1cccc2c(OC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cccc12"]}
{"name": "Growth factor receptor-bound protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3663"], "id": "UniProtKB:P62993", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL303150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJQPGFTWKKVQO-NSOVKSMOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@H](Cc2ccc(C(C(=O)O)C(=O)O)cc2)NC(=O)C(=O)O)CCCCC1)C(=O)NCCCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXUCKELNYMZTRT-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVOUSAVHMDXCKG-UHFFFAOYSA-N", "SMILES:O=C1Nc2c(ccc(Cl)c2Cl)/C1=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL453730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USEMRPYUFJNFQN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2CCCCC2)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHHLEXVYGNCHI-INFYBVPRSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNOC(=O)CCCN(C)c1ccc(/N=N/c2cccc4nc5ccc(N(CC)CC)cc5[n+](-c5ccccc5)c24)cc1)C(N)=O)[C@@H](C)O)[C@@H]3C.O=C([O-])C(F)(F)F"]}
{"name": "Prolyl endopeptidase FAP", "xref": ["CHEMBL.TARGET:CHEMBL5769"], "id": "UniProtKB:P97321", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8739", "category": ["biolink:ChemicalEntity"], "name": "LINOLENIC ACID", "xref": ["InChIKey:DTOSIQBPPRVQHS-PDBXOOCHSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL510966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMZCWUHFGMSEJ-UHFFFAOYSA-N", "SMILES:NNc1ccc(S(=O)(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUYFJJROJAVPPC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cn3c(=S)[nH]c4ccc(Br)cc4c3=O)cc2)cc1"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 11", "xref": ["CHEMBL.TARGET:CHEMBL2620"], "id": "UniProtKB:P35235", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSJRUUBDPBOLBK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)[nH]c1nnc(SCC(=O)NCc3cccs3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXIAPMWQLRYTGZ-UHFFFAOYSA-N", "SMILES:CSc1ccc(C2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGWZULRKZCYOGZ-VCJSFNQHSA-N", "SMILES:CO[C@@H]1[C@H](OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)[C@@H](COP(=O)(S)O[C@H]2[C@@H](OC)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@@H]2C[C@@H](n3ccc(N)nc3=O)O[C@H]2CO)O[C@H]1n1ccc(=O)[nH]c1=O"]}
{"name": "Toll-like receptor 9", "xref": ["CHEMBL.TARGET:CHEMBL6128"], "id": "UniProtKB:Q9EQU3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMQQNJVNWGXHPP-LHRSSTSESA-N", "SMILES:CO[C@@H]1[C@H](OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3ccc4c(=O)[nH]c(N)nc43)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)[C@@H](COP(=O)(S)O[C@H]2[C@@H](OC)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@@H]2[C@H](O)[C@@H](n3ccc(N)nc3=O)O[C@H]2CO)O[C@H]1n1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFYTUFOJHILHQM-IIHDBWKUSA-N", "SMILES:Cc1cn([C@@H]2O[C@H](COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@@H]3C[C@@H](n4ccc(N)nc4=O)O[C@H]3CO)[C@@H](OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@H]2O)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFKMHBJIXLKJN-ALTYWKSESA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@@H]3C[C@@H](n4ccc(N)nc4=O)O[C@H]3CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWHXFMJEOZVEDD-FZUIWQQCSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OCC(O)COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMHGLUFBCGZIHX-CPTKLINLSA-N", "SMILES:CO[C@@H]1[C@H](OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)[C@@H](COP(=O)(S)O[C@H]2[C@@H](OC)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@@H]2C[C@@H](n3ccc(N)nc3=O)O[C@H]2CO)O[C@H]1n1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTIQZXGPXSCSS-ICFKXREWSA-N", "SMILES:CO[C@@H]1[C@H](OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3ccc4c(=O)[nH]c(N)nc43)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)[C@@H](COP(=O)(S)O[C@H]2[C@@H](OC)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@@H]2C[C@@H](n3ccc(N)nc3=O)O[C@H]2CO)O[C@H]1n1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZDOSWGJYWBFJH-VXFZWKSFSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OCC(O)COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYFVMPRHMYAJQH-CYSXAURRSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(=O)(S)OCC(O)COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYOBCYXURWDEDS-UHFFFAOYSA-N", "SMILES:NC(C(=O)O)C(OCc1ccccc1)C(=O)O"]}
{"name": "Excitatory amino acid transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL3085"], "id": "UniProtKB:P43003", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Excitatory amino acid transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL4973"], "id": "UniProtKB:P43004", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Excitatory amino acid transporter 3", "xref": ["CHEMBL.TARGET:CHEMBL2721"], "id": "UniProtKB:P43005", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSEMJLXRHUTGBH-UMSFTDKQSA-N", "SMILES:COc1cc(-c2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)c4cccc5c(NCCSc6ccccc6)ccc(c45)C3=O)c(OC)c2)ccc1N"]}
{"name": "Albumin", "xref": ["CHEMBL.TARGET:CHEMBL3728"], "id": "UniProtKB:P02769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVDQKDCMJBSKU-NDEPHWFRSA-N", "SMILES:CC(C)C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2cccc3c(NCCSc4ccccc4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYHXZMFSCTPOS-UMSFTDKQSA-N", "SMILES:CC(C)C[C@@H](C(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1)N1C(=O)c2cccc3c(NCCSc4ccccc4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLWKDNIDQRNSQ-UYWNJUBWSA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)CCCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64925", "category": ["biolink:ChemicalEntity"], "name": "MG-132", "xref": ["InChIKey:TZYWCYJVHRLUCT-VABKMULXSA-N", "SMILES:CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL490829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPWHHUJACGNMZ-NUMRIWBASA-N", "SMILES:CC(C)[C@H](O)[C@]12NC(=O)[C@H](C)[C@@H]1OC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL508923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOLNSAIDVLRGIA-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2c(c1)OCO2)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVZAVRSVHUSPL-GQCTYLIASA-N", "SMILES:COc1ccccc1/C=C/C=O"], "chembl_natural_product": true}
{"name": "Nuclear factor of activated T-cells, cytoplasmic 1", "xref": ["CHEMBL.TARGET:CHEMBL6034"], "id": "UniProtKB:O88942", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEKGNUXGYUZNHH-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CABCPMUWGIVIGV-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFGHXGFJPOPQQ-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCCCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMUNOUHMCBIRDT-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEMCNQVTBMLIX-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRGCDYUGGBKPSD-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYPHSZTVVQRSK-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCDGEZXHXHLGW-UHFFFAOYSA-N", "SMILES:COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54976", "category": ["biolink:ChemicalEntity"], "name": "TRYPTOPHAN", "xref": ["InChIKey:QIVBCDIJIAJPQS-VIFPVBQESA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"], "synonym": ["Tryptophan", "Tryptophan", "Tryptophan", "Tryptophane", "Triptofano", "L-tryptophan", "Tryptophan", "(-)-tryptophan", "Tryptophan", "Tryptophan ((-),l,s)", "Tryptophan, l-", "Trytophan-", "NSC-13119", "Gppe pdr sach", "Optimax", "Optimax wv", "Pacitron", "Tryptophan", "L-tryptophan", "Tryptophan"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Kynurenine--oxoglutarate transaminase 1", "xref": ["CHEMBL.TARGET:CHEMBL3962"], "id": "UniProtKB:Q16773", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82411", "category": ["biolink:ChemicalEntity"], "name": "INDOLE-3-ACETIC ACID", "xref": ["InChIKey:SEOVTRFCIGRIMH-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL445966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVPPLCLBIEYEA-AATRIKPKSA-N", "SMILES:O=C(O)/C=C/c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL485012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSTKLPZEZYGQPY-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Cc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUXUSUONDVIKY-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1ccc2c(c1)N=C(C1CCCCC1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTEFLXYKMHWTNG-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHOQFGDSEWQDAX-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc2c(c1)N=C(c1ccc(F)c(Cl)c1)c1ccccc1S2"]}
{"name": "Neuropeptide Y receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL4777"], "id": "UniProtKB:P25929", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRWURBNWYFPJF-PQXDSQRDSA-N", "SMILES:Cc1c(/N=C2\\N(C(N)=O)C[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUDKZCXHZJRUAZ-UHFFFAOYSA-N", "SMILES:CC(C)=C1CC(CO)(COC(=O)COc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGBOLFMQGRFIRL-UHFFFAOYSA-N", "SMILES:CC(C)=C1CC(CO)(COC(=O)c2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUTMONHBGYHWES-UHFFFAOYSA-N", "SMILES:CC(C)=C1CC(CO)(COC(=O)CCCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRHWSAFUUBKSML-UHFFFAOYSA-N", "SMILES:CC(C)=C1CC(CO)(COC(=O)CCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522987", "category": ["biolink:ChemicalEntity"], "name": "VESTIPITANT", "xref": ["InChIKey:SBBYBXSFWOLDDG-JLTOFOAXSA-N", "SMILES:Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"], "synonym": ["Vestipitant", "Gw597599", "Vestipitant", "GW-597599"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDRFVCGMLUYPG-ROUUACIJSA-N", "SMILES:FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZSXNULHSIRCQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccccc2)cc(Br)c1O"]}
{"name": "Aldo-keto reductase family 1 member C1", "xref": ["CHEMBL.TARGET:CHEMBL5905"], "id": "UniProtKB:Q04828", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBZHSOXKROMBG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Br)cc(Br)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL489745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEPFHPQUTUETGX-VQHVLOKHSA-N", "SMILES:COc1cc(-c2cc(/C=C/C(=O)O)ccc2O)cc2c1C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBCOPUFJIBNCH-ACCUITESSA-N", "SMILES:CCCCCCOc1cc(-c2cc(/C=C/C(=O)O)ccc2O)cc2c1C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCMXYRJIUAPSHD-ZRDIBKRKSA-N", "SMILES:CCCCCOc1cc(-c2cc(/C=C/C(=O)O)ccc2O)cc2c1C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTALWPXQSXDBPH-PKNBQFBNSA-N", "SMILES:CCCCOc1cc(-c2cc(/C=C/C(=O)O)ccc2O)cc2c1C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBKSLYILFCQKT-CSKARUKUSA-N", "SMILES:CCCOc1cc(-c2cc(/C=C/C(=O)O)ccc2O)cc2c1C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIHPZHIGJDTFOP-CSKARUKUSA-N", "SMILES:CCOc1cc(-c2cc(/C=C/C(=O)O)ccc2O)cc2c1C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APJSHECCIRQQDV-ZRDIBKRKSA-N", "SMILES:CCCCCOc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1O)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABACVOXFUHDKNZ-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOULAGCYJDNJNZ-RMKNXTFCSA-N", "SMILES:Cc1nc(N)nc(O)c1CCCNc1ccc(/C=C/C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMAQQQXIDZRDOR-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVXLHJYXFZJIL-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470519", "category": ["biolink:ChemicalEntity"], "name": "EPICLUSIANONE", "xref": ["InChIKey:ZORHVMBFUFOBNB-JPBRBXQBSA-N", "SMILES:CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@](C=C(C)C)(C2=O)C1(C)C"]}
{"name": "Papain", "xref": ["CHEMBL.TARGET:CHEMBL4779"], "id": "UniProtKB:P00784", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3649"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470520", "category": ["biolink:ChemicalEntity"], "name": "GARCINIAPHENONE", "xref": ["InChIKey:LFVUBPRPIUMLNH-PGKWVRKKSA-N", "SMILES:CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@H](C2=O)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452483", "category": ["biolink:ChemicalEntity"], "name": "GUTTIFERONE A", "xref": ["InChIKey:QKKRBNPMUBNTPA-GHCWVHGPSA-N", "SMILES:CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL374508", "category": ["biolink:ChemicalEntity"], "name": "E-64", "xref": ["InChIKey:LTLYEAJONXGNFG-DCAQKATOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCCN=C(N)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOOSMRUESWMKBO-OWYHGVQQSA-N", "SMILES:Oc1ccc2c3c1O[C@H]1[C@]4(O)CC[C@@]5(OC4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AITWOGXCAJAHPU-MLCCFXAWSA-N", "SMILES:CCC[C@H]1C(=O)N(C(CCC(=O)OC)Sc2ccc(Cl)cc2)S(=O)(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBRDCBXSYNSIZ-MLCCFXAWSA-N", "SMILES:CCC[C@H]1C(=O)N(C(CCC(=O)OC)Sc2ccc(F)cc2)S(=O)(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPOBHQSLZOJDK-VYRBHSGPSA-N", "SMILES:CCC[C@H]1C(=O)N(C(CCC(=O)OC)Sc2ccc(OC)cc2)S(=O)(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKHDQAYFWFIUDZ-MLCCFXAWSA-N", "SMILES:CCC[C@H]1C(=O)N(C(CCC(=O)OC)Sc2ccc(N)cc2)S(=O)(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKACYBIBCLMSCF-ZENAZSQFSA-N", "SMILES:CCC[C@H]1C(=O)N(C(CCC(=O)OC)Sc2ccc(NC(=O)OC(C)(C)C)cc2)S(=O)(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIAZEMCTDVJBV-ATNAJCNCSA-N", "SMILES:CCC[C@H]1C(=O)N(C(CCC(=O)OC)Sc2ccc(NC(=O)CCC(=O)O)cc2)S(=O)(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAVERGGIXOHFH-BGERDNNASA-N", "SMILES:CCC[C@H]1C(=O)N(C(CCC(=O)OC)Sc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)S(=O)(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHMZGCHVQATGI-NQCNTLBGSA-N", "SMILES:CCC[C@H]1C(=O)N(C(CCC(=O)OC)Sc2ccc(NC(=O)NCCc3ccccc3)cc2)S(=O)(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKGFXXLINRYCML-VYRBHSGPSA-N", "SMILES:COC(=O)CCC(Sc1ccc(Cl)cc1)N1C(=O)[C@H](CC(C)C)N(C)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHTMCOQNMIGDFK-UHFFFAOYSA-N", "SMILES:N#CC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCUXQYCEDZXOJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVABVHZFLIGSRE-UHFFFAOYSA-N", "SMILES:O/N=C/c1cccc[n+]1Cc1ccc(C[n+]2ccccc2/C=N/O)cc1.[Br-].[Br-]"]}
{"name": "Acetylcholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL4078"], "id": "UniProtKB:O42275", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8005"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHBDLLQXRCRLJ-AIMLMLFYSA-N", "SMILES:O/N=C/c1ccc[n+](Cc2ccccc2C[n+]2cccc(/C=N/O)c2)c1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBELUZWTCRVONW-UHFFFAOYSA-N", "SMILES:O/N=C/c1cccc[n+]1Cc1ccccc1C[n+]1ccccc1/C=N/O.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJALZWLVBUFAQK-HHHXNRCGSA-N", "SMILES:CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc4c(c3)CCCC4=O)cc2)cc1)C(=O)O"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 4", "xref": ["CHEMBL.TARGET:CHEMBL3874"], "id": "UniProtKB:Q9TT93", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXMXRVBOZWQPF-GDLZYMKVSA-N", "SMILES:CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(=O)c4ccc(F)cc4)cc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGTIIKHYSZFICL-AREMUKBSSA-N", "SMILES:CC(C)C(=O)c1ccc(OCc2ccc(-c3ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVZQRKPMGDNKM-GDLZYMKVSA-N", "SMILES:CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(=O)C4CCCCC4)cc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOLQYOVUCHHET-UHFFFAOYSA-N", "SMILES:CC(Cl)C(=O)Nc1ccc(C#N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAKOOJIYVSJBBE-UHFFFAOYSA-N", "SMILES:NCc1noc(-c2c3ccccc3nn2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDTCTCKVFXXKQH-GOSISDBHSA-N", "SMILES:O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDTCTCKVFXXKQH-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)[C@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGEPGGJUGUMFHT-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCNCC1"], "synonym": ["KU-0058948"]}
{"name": "Heat shock protein beta-1", "xref": ["CHEMBL.TARGET:CHEMBL5976"], "id": "UniProtKB:P04792", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL312163", "category": ["biolink:ChemicalEntity"], "name": "RHAMNETIN", "xref": ["InChIKey:JGUZGNYPMHHYRK-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL503348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJFELGSRIDINW-UHFFFAOYSA-N", "SMILES:COC(=O)COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRKYLQFXMOPIAZ-WPWJYHCZSA-N", "SMILES:CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C4C([C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCCCC)C1(CO)C[C@H]3C(=O)C41C"]}
{"name": "Transient receptor potential cation channel subfamily V member 4", "xref": ["CHEMBL.TARGET:CHEMBL6126"], "id": "UniProtKB:Q9EPK8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILXHFDBMPFPLQ-UHFFFAOYSA-L", "SMILES:COc1cc(-c2oc3cc(OS(=O)(=O)[O-])cc(O)c3c(=O)c2OS(=O)(=O)[O-])ccc1O.[K+].[K+]"]}
{"name": "Aldo-keto reductase family 1 member B1", "xref": ["CHEMBL.TARGET:CHEMBL4559"], "id": "UniProtKB:P80276", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL516542", "category": ["biolink:ChemicalEntity"], "name": "DENDROAMIDE A", "xref": ["InChIKey:MDIRDFOZMJDCMK-GPCCPHFNSA-N", "SMILES:Cc1oc2nc1C(=O)N[C@H](C(C)C)c1nc(cs1)C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL453686", "category": ["biolink:ChemicalEntity"], "name": "HERBARUMIN I", "xref": ["InChIKey:IZFXFVSOQMEZKB-MNFMDYEBSA-N", "SMILES:CCC[C@H]1OC(=O)CCC/C=C/[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448932", "category": ["biolink:ChemicalEntity"], "name": "HERBARUMIN III", "xref": ["InChIKey:IWZXZFNLDPFUKQ-NAJRYUOPSA-N", "SMILES:CCC[C@@H]1C[C@@H](O)/C=C/CCCC(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL446877", "category": ["biolink:ChemicalEntity"], "name": "HERBARUMIN II", "xref": ["InChIKey:KQJGPGHQDDZVHJ-ZFOCBLLKSA-N", "SMILES:CCC[C@H]1OC(=O)[C@H](O)CC/C=C/[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "DNA topoisomerase", "xref": ["CHEMBL.TARGET:CHEMBL5300"], "id": "UniProtKB:A0JN73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL101892", "category": ["biolink:ChemicalEntity"], "name": "SANGIVAMYCIN", "xref": ["InChIKey:OBZJZDHRXBKKTJ-JTFADIMSSA-N", "SMILES:NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL302449", "category": ["biolink:ChemicalEntity"], "name": "GO-6976", "xref": ["InChIKey:VWVYILCFSYNJHF-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O"]}
{"name": "Interferon regulatory factor 1", "xref": ["CHEMBL.TARGET:CHEMBL5927"], "id": "UniProtKB:P23570", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1434", "category": ["biolink:ChemicalEntity"], "name": "MINOCYCLINE", "xref": ["InChIKey:DYKFCLLONBREIL-KVUCHLLUSA-N", "SMILES:CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O"], "synonym": ["Minocycline", "Minocycline", "Minocycline", "Minociclina", "Minocycline", "Minocycline", "Minocycline"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL514554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HESLKTSGTIBHJU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1"]}
{"name": "Focal adhesion kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5773"], "id": "UniProtKB:O35346", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Paxillin", "xref": ["CHEMBL.TARGET:CHEMBL5613"], "id": "UniProtKB:Q66H76", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507040", "category": ["biolink:ChemicalEntity"], "name": "DEELLKTVRLIKFLY", "xref": ["InChIKey:KGDXOEPOLDQXQI-GKOCLCJMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMXECQTZIQAQI-ZKWKVKDVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABYLXPAKFZDER-JUAISUMLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZYHJFCFGXXEU-SBZVAKEPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510353", "category": ["biolink:ChemicalEntity"], "name": "LKTVRLIKFLY", "xref": ["InChIKey:AFWDNKIQCREALJ-MJPNBWRMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524694", "category": ["biolink:ChemicalEntity"], "name": "SGDSDEELLKTVRLI", "xref": ["InChIKey:YOLGBEMBQIIHEF-TVUXURQESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCIMAHIIGILMM-NEVNWFTQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)CC(C)C)[C@H](C)O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSMSBAVULYBABN-MJPNBWRMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPKIEBNVIOELIR-HHHXNRCGSA-N", "SMILES:CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(=O)O)cc1)c1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPKIEBNVIOELIR-MHZLTWQESA-N", "SMILES:CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(=O)O)cc1)c1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL47244", "category": ["biolink:ChemicalEntity"], "name": "PICROTOXININ", "xref": ["InChIKey:PIMZUZSSNYHVCU-YKWPQBAZSA-N", "SMILES:C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL478523", "category": ["biolink:ChemicalEntity"], "name": "PICROTIN", "xref": ["InChIKey:RYEFFICCPKWYML-QCGISDTRSA-N", "SMILES:CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL503461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQKNFBXQZTRNM-AMVDFXKXSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72", "category": ["biolink:ChemicalEntity"], "name": "DESIPRAMINE", "xref": ["InChIKey:HCYAFALTSJYZDH-UHFFFAOYSA-N", "SMILES:CNCCCN1c2ccccc2CCc2ccccc21"], "synonym": ["Desipramine", "Desipramine", "Desipramine", "Desipramina", "Desipramine", "Desipramine", "Imipramine, demethyl-", "Monodemethylimipramine", "N-desmethylimipramine", "Norimipramine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL464631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDZRKZVFLLTLO-NSMLZSOPSA-N", "SMILES:COc1cc([C@@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@H](CO)[C@H]2CO)ccc1O"], "chembl_natural_product": true}
{"name": "Sex hormone-binding globulin", "xref": ["CHEMBL.TARGET:CHEMBL3305"], "id": "UniProtKB:P04278", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJCAWWJIHDUAU-OSTNNTLRSA-N", "SMILES:CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O"]}
{"name": "Parathyroid hormone/parathyroid hormone-related peptide receptor", "xref": ["CHEMBL.TARGET:CHEMBL6038"], "id": "UniProtKB:P25961", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465251", "category": ["biolink:ChemicalEntity"], "name": "DEMETHYLZEYLASTERONE", "xref": ["InChIKey:IGEUWSSSLAVCIX-GPQUBRLFSA-N", "SMILES:C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C(=O)O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL945", "category": ["biolink:ChemicalEntity"], "name": "AMILORIDE", "xref": ["InChIKey:XSDQTOBWRPYKKA-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1nc(Cl)c(N)nc1N"], "synonym": ["Amiloride", "Amiloride", "Amiloride", "Amilorida", "Amiloride", "Amiclaran", "Amiloride", "Hydro-ride"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Sodium/hydrogen exchanger", "xref": ["CHEMBL.TARGET:CHEMBL5418"], "id": "UniProtKB:Q9W6Q1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8313"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517986", "category": ["biolink:ChemicalEntity"], "name": "5-(N-ETHYL-N-ISOPROPYL)AMILORIDE", "xref": ["InChIKey:QDERNBXNXJCIQK-UHFFFAOYSA-N", "SMILES:CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL436559", "category": ["biolink:ChemicalEntity"], "name": "CARIPORIDE", "xref": ["InChIKey:IWXNYAIICFKCTM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O"], "synonym": ["Cariporide", "Cariporida"], "chembl_natural_product": true}
{"name": "Sodium/hydrogen exchanger 1", "xref": ["CHEMBL.TARGET:CHEMBL2781"], "id": "UniProtKB:P19634", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WITSYJHGEIZBQU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507078", "category": ["biolink:ChemicalEntity"], "name": "CLATHSTEROL", "xref": ["InChIKey:HACDCFFQGRQGEQ-FYVHBMJCSA-L", "SMILES:CCCC(=O)OC(C(CC)C(C)C)C(OC(=O)CCC)[C@@H](C)[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@H]2[C@@H]3CCC4C[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])C[C@]4(C)[C@H]3CC[C@@]21C.[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL471728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQOGDQTWWCZFX-UHFFFAOYSA-N", "SMILES:CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1"]}
{"name": "Zinc finger protein GLI1", "xref": ["CHEMBL.TARGET:CHEMBL5461"], "id": "UniProtKB:P08151", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USWLOKMMUTWFMD-UHFFFAOYSA-N", "SMILES:c1cc(-c2sc(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)ccn1"]}
{"name": "Zinc finger protein GLI2", "xref": ["CHEMBL.TARGET:CHEMBL5119"], "id": "UniProtKB:P10070", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98350", "category": ["biolink:ChemicalEntity"], "name": "LY-294002", "xref": ["InChIKey:CZQHHVNHHHRRDU-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12"], "synonym": ["Ly-294002", "NSC-697286", "SF-1101"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL179242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVRDQVRQVGRNHG-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCOCC2)nc2c3ccccc3ccn12"]}
{"name": "RAC-alpha serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL5859"], "id": "UniProtKB:P31750", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ribosomal protein S6 kinase beta-1", "xref": ["CHEMBL.TARGET:CHEMBL5429"], "id": "UniProtKB:Q8BSK8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486059", "category": ["biolink:ChemicalEntity"], "name": "PERVILLEINE B", "xref": ["InChIKey:KKZAOZSLMGOEFU-ZAXSSQMLSA-N", "SMILES:COc1cc(/C=C/C(=O)O[C@H]2CC3C[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC2N3C)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL451845", "category": ["biolink:ChemicalEntity"], "name": "PERVILLEINE C", "xref": ["InChIKey:QRMASVGVVOOIOZ-DRDSSUTESA-N", "SMILES:COc1cc(/C=C/C(=O)O[C@H]2CC3C[C@H](OC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)C(C2)N3C)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL446465", "category": ["biolink:ChemicalEntity"], "name": "PERVILLEINE D", "xref": ["InChIKey:GYERRJFXENPCTB-ZOOBDTQDSA-N", "SMILES:COc1cc(/C=C/C(=O)O[C@@H]2CC3[C@@H](OC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)[C@@H](O)C(C2)N3C)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL485486", "category": ["biolink:ChemicalEntity"], "name": "PERVILLEINE F", "xref": ["InChIKey:FKUUUFHXKIFGSF-BFKYYIPTSA-N", "SMILES:COc1cc(/C=C/C(=O)O[C@H]2CC3C[C@H](OC(=O)Cc4ccccc4)CC2N3C)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL188343", "category": ["biolink:ChemicalEntity"], "name": "REVERSINE", "xref": ["InChIKey:ZFLJHSQHILSNCM-UHFFFAOYSA-N", "SMILES:c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL491188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKHGUQJCRRKSC-WXIGGWTCSA-N", "SMILES:CC1(C)CC[C@]2(C)C[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL23236", "category": ["biolink:ChemicalEntity"], "name": "BETULIN", "xref": ["InChIKey:FVWJYYTZTCVBKE-ROUWMTJPSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL289191", "category": ["biolink:ChemicalEntity"], "name": "LUPEOL", "xref": ["InChIKey:MQYXUWHLBZFQQO-QGTGJCAVSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL489552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMUKCLRLPXYUKD-LICRDSFHSA-N", "SMILES:CC1(C)CC[C@]2(C)C[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL23957", "category": ["biolink:ChemicalEntity"], "name": "OXOTREMORINE METHIODIDE", "xref": ["InChIKey:VVLMSCJCXMBGDI-UHFFFAOYSA-M", "SMILES:C[N+](C)(C)CC#CCN1CCCC1=O.[I-]"], "chembl_natural_product": true}
{"name": "Forkhead box protein O3", "xref": ["CHEMBL.TARGET:CHEMBL5778"], "id": "UniProtKB:O43524", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proto-oncogene tyrosine-protein kinase Src", "xref": ["CHEMBL.TARGET:CHEMBL3074"], "id": "UniProtKB:P05480", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Alkaline phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL6127"], "id": "UniProtKB:Q9EQ79", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Alkaline phosphatase, germ cell type", "xref": ["CHEMBL.TARGET:CHEMBL3402"], "id": "UniProtKB:P10696", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alkaline phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL5796"], "id": "UniProtKB:Q9JKS8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Solute carrier family 2, facilitated glucose transporter member 1", "xref": ["CHEMBL.TARGET:CHEMBL5214"], "id": "UniProtKB:P11167", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Solute carrier family 2, facilitated glucose transporter member 3", "xref": ["CHEMBL.TARGET:CHEMBL5215"], "id": "UniProtKB:P11169", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMZVFKYDLOAOJE-UHFFFAOYSA-N", "SMILES:CC[N+]1(CC2CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONLXNFYGYMTLC-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc2occc12)Nc1cc[n+](CCCc2ccccc2)c(Br)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL36148", "category": ["biolink:ChemicalEntity"], "name": "(S)-VERAPAMIL", "xref": ["InChIKey:SGTNSNPWRIOYBX-MHZLTWQESA-N", "SMILES:COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL197", "category": ["biolink:ChemicalEntity"], "name": "DEXVERAPAMIL", "xref": ["InChIKey:SGTNSNPWRIOYBX-HHHXNRCGSA-N", "SMILES:COc1ccc(CCN(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"], "synonym": ["Dexverapamil", "Dexverapamilo", "Verapamil (r)-form", "(r)-verapamil", "D-verapamil", "Verapamil, (r)-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL516292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSOZEOMYHDEMKF-JRTVVOMVSA-N", "SMILES:N#C[C@@]1(NC(=O)[C@@H](N)Cc2cccs2)C[C@@H]1c1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSDCIRYNTCVTMF-GIGWZHCTSA-N", "SMILES:CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFLVBAHRXSEHDC-KWQFWETISA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)C=[N+]=[N-]"]}
{"name": "Cathepsin G", "xref": ["CHEMBL.TARGET:CHEMBL4071"], "id": "UniProtKB:P08311", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neutrophil elastase", "xref": ["CHEMBL.TARGET:CHEMBL5156"], "id": "UniProtKB:Q3UP87", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Cathepsin G", "xref": ["CHEMBL.TARGET:CHEMBL5622"], "id": "UniProtKB:P28293", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Myeloblastin", "xref": ["CHEMBL.TARGET:CHEMBL5384"], "id": "UniProtKB:Q61096", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIHRZTWKTVFWSV-HQSWAJDZSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"name": "Furin", "xref": ["CHEMBL.TARGET:CHEMBL2611"], "id": "UniProtKB:P09958", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428496", "category": ["biolink:ChemicalEntity"], "name": "WORTMANNIN", "xref": ["InChIKey:QDLHCMPXEPAAMD-QAIWCSMKSA-N", "SMILES:COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein kinase PLK3", "xref": ["CHEMBL.TARGET:CHEMBL4897"], "id": "UniProtKB:Q9H4B4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase PLK2", "xref": ["CHEMBL.TARGET:CHEMBL5938"], "id": "UniProtKB:Q9NYY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL666", "category": ["biolink:ChemicalEntity"], "name": "FOSCARNET", "xref": ["InChIKey:ZJAOAACCNHFJAH-UHFFFAOYSA-N", "SMILES:O=C(O)P(=O)(O)O"], "synonym": ["Foscarnet", "Dihydroxyphosphinecarboxylic acid oxide", "Foscarnet", "J05AD01"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1160571", "category": ["biolink:ChemicalEntity"], "name": "PYROPHOSPHORIC ACID", "xref": ["InChIKey:XPPKVPWEQAFLFU-UHFFFAOYSA-N", "SMILES:O=P(O)(O)OP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517080", "category": ["biolink:ChemicalEntity"], "name": "WITHAFERIN A", "xref": ["InChIKey:DBRXOUCRJQVYJQ-CKNDUULBSA-N", "SMILES:CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1"], "synonym": ["Withaferin a", "NSC-101088", "NSC-273757"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL120901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBYGRJQJEUUFHI-CDFKWJNJSA-N", "SMILES:COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273575", "category": ["biolink:ChemicalEntity"], "name": "NOMIFENSINE", "xref": ["InChIKey:XXPANQJNYNUNES-UHFFFAOYSA-N", "SMILES:CN1Cc2c(N)cccc2C(c2ccccc2)C1"], "synonym": ["Nomifensine", "Nomifensine", "Nomifensine", "Nomifensina", "Linamiphen", "Nomifensin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL523272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAJMLZVYWJZCM-UHFFFAOYSA-N", "SMILES:Cl.Cl.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325441", "category": ["biolink:ChemicalEntity"], "name": "TIPLASININ", "xref": ["InChIKey:ODXQFEWQSHNQNI-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)c1cn(Cc2ccccc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc12"], "synonym": ["Tiplasinin", "Tiplasinine", "Tiplasinina", "PAI-039", "Tiplasinin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449905", "category": ["biolink:ChemicalEntity"], "name": "MAKALUVAMINE A", "xref": ["InChIKey:RUIRYCQUTHWLMZ-UHFFFAOYSA-N", "SMILES:Cn1cc2c3c1C(=O)C(N)=CC3=NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL509890", "category": ["biolink:ChemicalEntity"], "name": "MAKALUVAMINE F", "xref": ["InChIKey:ZEIRCDSUNJVVPP-UHFFFAOYSA-N", "SMILES:O=C1C(NC2Cc3cc(Br)c(O)cc3S2)=CC2=NCCc3c[nH]c1c32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL509186", "category": ["biolink:ChemicalEntity"], "name": "MAKALUVAMINE E", "xref": ["InChIKey:SRIGKAHCWXJXIV-SOFGYWHQSA-N", "SMILES:Cn1cc2c3c1C(=O)C(N/C=C/c1ccc(O)cc1)=CC3=NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL450970", "category": ["biolink:ChemicalEntity"], "name": "MAKALUVAMINE C TFA SALT", "xref": ["InChIKey:MXFPPWYEIFVIMH-UHFFFAOYSA-N", "SMILES:C[N+]1=C2C=C(N)C(=O)c3[nH]cc(c32)CC1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478092", "category": ["biolink:ChemicalEntity"], "name": "RADIOSUMIN B", "xref": ["InChIKey:DXOBDIZQMJWEAT-BMPSSULNSA-N", "SMILES:CN[C@H]1C=C/C(=C/[C@H](NC(C)=O)C(=O)N[C@@H](/C=C2/C=C[C@H](NC(C)=O)CC2)C(=O)O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL268871", "category": ["biolink:ChemicalEntity"], "name": "L-697661", "xref": ["InChIKey:WHFRDXVXYMGAJD-UHFFFAOYSA-N", "SMILES:CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL56543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUCIOBMMDDOEMM-RIYZIHGNSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505251", "category": ["biolink:ChemicalEntity"], "name": "KERACYANIN CATION", "xref": ["InChIKey:USNPULRDBDVJAO-FXCAAIILSA-O", "SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "synonym": ["Keracyanin cation", "Keracyanin cation", "Cyanidin-3-rutinoside", "Keracyanin cation", "Keracyanin ion"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL492207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZGDHKWAIHZPGD-UYRXBGFRSA-N", "SMILES:CCOc1cc(/C=C2\\N=C(c3ccc(NC(C)=O)cc3)OC2=O)ccc1OC(=O)c1cccs1"]}
{"name": "Glucagon-like peptide 1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL5862"], "id": "UniProtKB:P32301", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLFGFBQFKCNSQ-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)C(c3ccc(OC(=O)c4cccs4)c(OC)c3)C2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGLAHVNMIDVPL-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(NC(=O)c3ccc(NC(=O)C4CCCC4)cc3)(C(=O)O)C(c3ccc(OC(=O)c4cccs4)c(OC)c3)C2(NC(=O)c2ccc(NC(=O)C3CCCC3)cc2)C(=O)O)ccc1OC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPIWCJQGIFRHH-CVMHBQFTSA-N", "SMILES:C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL464897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPNCPJHJJONRPM-YKSJTIPHSA-N", "SMILES:C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL462848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFEIXQKYVJTKKW-KYELGKBTSA-N", "SMILES:C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@H](O)C[C@@H](C)CO)CC[C@@]23C)[C@@]1(C)CCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL462847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQKZDFYRZDVIL-XLPYTDSASA-N", "SMILES:C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL464637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHLHSNNZRDBQGE-MQEUWQHPSA-N", "SMILES:CCCCCC/C=C\\CC/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL469266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNJRQDPTLDVHOR-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)cc2c1"], "synonym": ["INF-55"]}
{"name": "Quinolone resistance protein NorA", "xref": ["CHEMBL.TARGET:CHEMBL5114"], "id": "UniProtKB:P0A0J7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGXSNGGDPGAOF-RUZDIDTESA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1ccnc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQIQCTAFFFMLKO-XMMPIXPASA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1ccnn1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYCBUWDAQBRFCK-XMMPIXPASA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1cncn1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJKPOCSUBVDARQ-UHFFFAOYSA-N", "SMILES:CN1CCC(CNC(=O)c2cnc(C#N)nc2NCC2CCC3(CC2)CC3)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWPNYQSYFERIU-HSZRJFAPSA-N", "SMILES:N#Cc1ncc(C(=O)N[C@H](Cc2ccccc2)CN2CCCC2)c(NCC2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUYLYPDSJMPGU-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(NC(=O)c3cnc(C#N)nc3NCC3CCC4(CC3)CC4)c(-c3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXDBQMROQRIEH-MHWRWJLKSA-N", "SMILES:O=C(O)CC1=C/C(=C\\c2cccc3ccccc23)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WINONEAFBRSOAL-IRXDYDNUSA-N", "SMILES:CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHNHVNKWEHYJDJ-MSOLQXFVSA-N", "SMILES:CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499609", "category": ["biolink:ChemicalEntity"], "name": "NAKIJIQUINONE I", "xref": ["InChIKey:GPJGNNXTWYGEKW-HBYKIKMKSA-N", "SMILES:CC1=CCC[C@H]2[C@](C)(CC3=C(O)C(=O)C=C(NCCC[S+](C)[O-])C3=O)[C@@H](C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL499608", "category": ["biolink:ChemicalEntity"], "name": "NAKIJIQUINONES H", "xref": ["InChIKey:UOJQVKJSJVULOG-RJHAJULLSA-N", "SMILES:CC1=CCC[C@H]2[C@](C)(CC3=C(O)C(=O)C=C(NCCCCNC(=N)N)C3=O)[C@@H](C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL502529", "category": ["biolink:ChemicalEntity"], "name": "NAKIJIQUINONES G", "xref": ["InChIKey:LRDWHMBNXVZVHJ-MCRPIMJISA-N", "SMILES:CC1=CCC[C@H]2[C@](C)(CC3=C(O)C(=O)C=C(NCCc4cnc[nH]4)C3=O)[C@@H](C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL501187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAVIGKIVXAAMQZ-VGSCBBJJSA-N", "SMILES:CCCCCCCCCCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1"]}
{"name": "ATP-dependent RNA helicase DDX3X", "xref": ["CHEMBL.TARGET:CHEMBL5553"], "id": "UniProtKB:O00571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XENPONAMWFKIEU-SGNDLWITSA-N", "SMILES:CCCCCCCCCCCCCCCCCCNc1nc(=O)c2c(ncn2[C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL192632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSVPQAGJDLITE-HNNXBMFYSA-N", "SMILES:Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYYKEVLDNHRJX-SFHVURJKSA-N", "SMILES:Nc1nc2[nH]c(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGLCUJLZYVTUKW-KRWDZBQOSA-N", "SMILES:Nc1nc2[nH]c(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPQCJFDTGQKDN-INIZCTEOSA-N", "SMILES:Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"name": "Folate receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL5064"], "id": "UniProtKB:P14207", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117391", "category": ["biolink:ChemicalEntity"], "name": "BANOXANTRONE", "xref": ["InChIKey:YZBAXVICWUUHGG-UHFFFAOYSA-N", "SMILES:C[N+](C)([O-])CCNc1ccc(NCC[N+](C)(C)[O-])c2c1C(=O)c1c(O)ccc(O)c1C2=O"], "synonym": ["Banoxantrone", "Banoxantrona", "AQ-4N", "AQ4N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRHLVEDNKGFBSH-JJUOAUQGSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@@H](C)/C=C/C[C@@H](O)CC45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEWBFNJDWKCEPL-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMJBSGFSLCGHEK-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHERKDAGTCJXFZ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHUPGMHSOHXQD-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKWGYCMVMEFGG-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-c2c(C)c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNCAQTJFFOGJNV-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCJCDCQEHZHJC-WEVVVXLNSA-N", "SMILES:CCC/C=C/c1ccc(-c2c(C)c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFQVFSRVQQXSC-RMKNXTFCSA-N", "SMILES:CCC/C=C/c1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXEWYTLXTLCWOK-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCC(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILKPDKWPYENSO-UHFFFAOYSA-N", "SMILES:CCCC#Cc1ccc(-c2c(CC)c(C(=O)NN3CCCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTFCHVZCYDGYMS-UHFFFAOYSA-N", "SMILES:CCCC#Cc1ccc(-c2c(CC)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SROCTROBBQZOCL-UHFFFAOYSA-N", "SMILES:CCOCC#Cc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTVVSVXEDLCTL-UHFFFAOYSA-N", "SMILES:CCCC#Cc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIBYSKLIEXCINZ-UHFFFAOYSA-N", "SMILES:CCCC#Cc1ccc(-c2c(C)c(C(=O)NN3CCCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDODMSZAQARTM-UHFFFAOYSA-N", "SMILES:CCCC#Cc1ccc(-c2c(C)c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEQSBZUEHSGFIK-UHFFFAOYSA-N", "SMILES:CCC#Cc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNVYTDPQYLDLJV-UHFFFAOYSA-N", "SMILES:CCC#Cc1ccc(-c2c(C)c(C(=O)NN3CCCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLSZNWGSXYNNL-UHFFFAOYSA-N", "SMILES:CCC#Cc1ccc(-c2c(C)c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZSBYWQVUJSNFN-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CC2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFHVXZORFVWLAQ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CC3CCCC3C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CC2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYJKQJOSWHETE-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCOc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWVHBUZLONVGCX-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCC(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRXZZIOOVZYSTC-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCC(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGENRRWCNZXZQN-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFIWLNMDHVXQJS-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CC3CCCC3C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CC(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBGGIBQNAEWKM-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CC(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWIVGQRMMWWQD-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(-c2c(C)c(C(=O)NC3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEHUYBWWQFCQPB-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(-c2c(C)c(C(=O)NCCCCCC)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYCHPZDRERWDKZ-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(-c2c(C)c(C(=O)NCCCC)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHSRXZIGNHKIP-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(-c2c(C)c(C(=O)NN3CCCCCC3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCBVNXWJQGESU-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(-c2c(C)c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZZWGXVRXBWXJW-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CC2CCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWJMTCYPFQWGT-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCCc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLAMOAOUZDNJJ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CC3CCCC3C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CC2CCCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYPKJWNXKZUNI-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CC2CCCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAEWAHLAMDQNLZ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CC3CCCC3C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CC2CCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIEVKORINPXEDC-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCOC(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQKXQCSEZPQBNZ-QSBCOWLBSA-N", "SMILES:C/C(=N\\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1cccc(Br)c1"]}
{"name": "Proteinase-activated receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5963"], "id": "UniProtKB:P55085", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUHFWIFSHROPY-RWPZCVJISA-N", "SMILES:C/C(=N\\NC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL169300", "category": ["biolink:ChemicalEntity"], "name": "DEHYDROXYMETHYLEPOXYQUINOMICIN", "xref": ["InChIKey:IUOMATKBBPCLFR-TUAOUCFPSA-N", "SMILES:O=C(NC1=CC(=O)[C@H]2O[C@H]2[C@H]1O)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHBOSTKQCZEAJM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1"]}
{"name": "Fatty-acid amide hydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL3229"], "id": "UniProtKB:P97612", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184238", "category": ["biolink:ChemicalEntity"], "name": "URB-597", "xref": ["InChIKey:ROFVXGGUISEHAM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1"], "synonym": ["Urb-597", "Urb597", "KDS-4103", "ORG-231295", "URB 597"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUJONSBZWJMQAQ-UHFFFAOYSA-N", "SMILES:NCCCCCCCCNC1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBKNTVAKIFYNU-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(C2CCN(c3ncnc(Nc4ccc(S(C)(=O)=O)cc4F)c3[N+](=O)[O-])CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL453598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJUMSBYSPRWYAF-GZTJUZNOSA-N", "SMILES:CCCC(CCC)C(=O)OCC1(CO)C/C(=C\\c2ccc(C(F)(F)F)cc2)C(=O)O1"]}
{"name": "Transcription factor Jun", "xref": ["CHEMBL.TARGET:CHEMBL5369"], "id": "UniProtKB:P05627", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLUECRWFKKEBI-SXGWCWSVSA-N", "SMILES:CCCCC(CC)C(=O)OCC1(CO)C/C(=C/c2ccc(Cl)c(F)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLUECRWFKKEBI-CXUHLZMHSA-N", "SMILES:CCCCC(CC)C(=O)OCC1(CO)C/C(=C\\c2ccc(Cl)c(F)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDIOERZFNMBAO-GZTJUZNOSA-N", "SMILES:CCCCC(CC)C(=O)OCC1(CO)C/C(=C\\c2ccc(Cl)cc2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCWHXZDPSIDDS-GZTJUZNOSA-N", "SMILES:CCCC(CCC)C(=O)OCC1(CO)C/C(=C\\c2ccc(F)cc2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMBSMQLLFJMMRZ-QGZVFWFLSA-N", "SMILES:COc1ccc(C(=O)c2c(C)n(Cc3cccc(O[C@H](C)C(=O)O)c3)c3ncccc23)cc1"]}
{"name": "Peroxisome proliferator-activated receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL2128"], "id": "UniProtKB:P23204", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXLRQPFMGDXYTD-WGDLNXRISA-N", "SMILES:CC(C)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)NO)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXIUUKDDYVBSZ-GFULKKFKSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJNJIAKOLHXPC-FIFLTTCUSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(F)cc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFUBGQMBVDXPJZ-NSLJXJERSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARALHKIYYSJRK-NSLJXJERSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPCAMDITBGELPH-WGDLNXRISA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc3ccccc3c2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPZRRDIPOGPABO-GFULKKFKSA-N", "SMILES:COc1ccc2cc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)o3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFLWSDPHSRREU-FIFLTTCUSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBAZYVHOGXXRG-CDJQDVQCSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc(Cl)c2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCADIXLLWMXYKW-CMDGGOBGSA-N", "SMILES:CC1(C)CC=C(C#Cc2ccccc2)c2cc(/C=C/c3ccc(C(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLORBCSMVYNTA-XBXARRHUSA-N", "SMILES:COCCOCOc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXBMIGPGLOZSAP-QPJJXVBHSA-N", "SMILES:COCCOCOc1cc(O)c(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWVMQDGAEFZKDA-JXMROGBWSA-N", "SMILES:C#CCc1cc(OCOCCOC)c(C23CC4CC(CC(C4)C2)C3)cc1C(=O)/C=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STDQCGWDUQXYNR-JXMROGBWSA-N", "SMILES:C=CCc1cc(OCOCCOC)c(C23CC4CC(CC(C4)C2)C3)cc1C(=O)/C=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKRZMGEVAGHHV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDKPVLYXNLFGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMUACLADCKCNKZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccsc2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDSXVZBABJLPY-GOTSBHOMSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMCBLPZMUVVYPZ-PMACEKPBSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLHJNWFUXMPCG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(OCc3cc4cnc(C#N)nc4n3CCC3CCC(F)(F)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDQEMNWBLLHQR-TUPOMVFISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2CCOS(=O)(=O)c1ccc(Br)cc1"]}
{"name": "Rhodopsin", "xref": ["CHEMBL.TARGET:CHEMBL5739"], "id": "UniProtKB:P02699", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGXIXSKISLYAC-WNTKNEGGSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL168", "category": ["biolink:ChemicalEntity"], "name": "OLEANOLIC_ACID", "xref": ["InChIKey:MIJYXULNPSFWEK-GTOFXWBISA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL488842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWWCEQOCFFQUKS-FJWDNACWSA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL169", "category": ["biolink:ChemicalEntity"], "name": "URSOLIC ACID", "xref": ["InChIKey:WCGUUGGRBIKTOS-GPOJBZKASA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"], "synonym": ["Ursolic acid", "Malol", "Micromerol", "Prunol", "Ursolic acid", "Urson", "NSC-167406", "NSC-4060", "Ursolic acid"], "chembl_natural_product": true}
{"name": "DNA polymerase", "xref": ["CHEMBL.TARGET:CHEMBL5345"], "id": "UniProtKB:A6BMM6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10359"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJMCPCMWUJNMH-VNRZBHCFSA-N", "SMILES:[18F]CCOCCOCCOc1ccc(C#Cc2ccc3[nH]ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNAXFZRYWFZSG-VNRZBHCFSA-N", "SMILES:[18F]CCOCCOCCOc1ccc(C#Cc2ccc3c(c2)CCN3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKSWFFHMRVZFU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc3sc4c(c3c(=O)s2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJMULDOPNMGJD-JAIQZWGSSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPBQZMFIYKTNA-UUYOSTAYSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2cc(N3CCCC3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZYHJYRSCKCZKX-WSVATBPTSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGWWNSJKCPTESJ-IUXPMGMMSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABWPXICBAZTPN-LSCVHKIXSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBIRJUUJIOKTBK-LSCVHKIXSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZOZCBKBCEJEZ-IUXPMGMMSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2c(F)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHSMGUZDDMBFSC-LSCVHKIXSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHZGEAJMTRTONI-LSCVHKIXSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRMMCNKCRVTQKU-NVMNQCDNSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTKHGJVTJFJEH-OYKKKHCWSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2cc(N3CCCC3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUXGXNLCHAWCBN-UKWGHVSLSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYFVHPGYOULCX-GRSHGNNSSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANIVAYNKKIVHS-JMIUGGIZSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUICOVWODYVNM-JMIUGGIZSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKHPAWTYHMKAA-GRSHGNNSSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2c(F)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLNMAVHJZWWTMJ-JMIUGGIZSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLKSOJWVTUWOMM-JMIUGGIZSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYDFNKUHYXHWFM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL498139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPMEFLLFKGIJL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2cc(=O)c3c(OC)c(OC)cc(OC)c3o2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL226508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEWSAPKRFOFQIU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1OC"], "chembl_natural_product": true}
{"name": "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1", "xref": ["CHEMBL.TARGET:CHEMBL5188"], "id": "UniProtKB:P10686", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL126159", "category": ["biolink:ChemicalEntity"], "name": "LMP-744", "xref": ["InChIKey:QCSDJDQOJBQTDV-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCNCCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"], "synonym": ["Lmp-744", "Lmp744", "Topoisomerase-1 inhibitor lmp744", "MJ-III-65", "NSC-706743", "NSC-706744"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWNKLHJHRPJRZ-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1CCCNCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFWUSLBIIIIEN-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(=O)O)s1"]}
{"name": "DNA ligase 1", "xref": ["CHEMBL.TARGET:CHEMBL5694"], "id": "UniProtKB:P18858", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUYKZYIAFUBPAQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)cc1)c1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL468590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRRSGUVFUNSCJ-UHFFFAOYSA-N", "SMILES:Cc1oc(C(=O)O)cc1CSCc1cc(C(=O)O)c(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFYSAGMLZNMZOH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEIJUUNMDKBYLE-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(Cl)c2nonc2c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROODQCZSWXEDJL-UHFFFAOYSA-N", "SMILES:O=C1Nc2c(C(=O)O)cccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL401844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIIYEDWVXHYTF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(cc1S(=O)(=O)O)C1C(C3C2C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZPRGNCDGAUNA-WZEAMOGMSA-N", "SMILES:CO[C@H](/C=C(\\C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C)[C@@H](C)O"], "chembl_natural_product": true}
{"name": "G-protein coupled receptor 12", "xref": ["CHEMBL.TARGET:CHEMBL5006"], "id": "UniProtKB:P47775", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524981", "category": ["biolink:ChemicalEntity"], "name": "NEOCYCLOCITRINOL C", "xref": ["InChIKey:HDGOYEAHQQCXLC-BFHGYSRFSA-N", "SMILES:C/C(=C\\[C@@H](O)[C@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL497296", "category": ["biolink:ChemicalEntity"], "name": "NEOCYCLOCITRINOL B", "xref": ["InChIKey:HDGOYEAHQQCXLC-NRSDQUKKSA-N", "SMILES:C/C(=C\\[C@H](O)[C@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL523073", "category": ["biolink:ChemicalEntity"], "name": "CYCLOCITRINOL", "xref": ["InChIKey:QZAMIRPHNVBTIV-HRXCHONESA-N", "SMILES:C[C@@H](O)/C=C/[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL496266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZAMIRPHNVBTIV-ZJNSTCTESA-N", "SMILES:C[C@H](O)/C=C/[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL454124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUIFNPNESWHQQ-LZGZZAKVSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)[C@H](CCO)CCCC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUIFNPNESWHQQ-PLPLGXAZSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)[C@@H](CCO)CCCC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFXAKUNOBKWSJ-ATZUXSORSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)C[C@H](O)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUIFNPNESWHQQ-LGKYDQOKSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCO)CCCC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFJTTIYEGPPOW-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2ccc(NC(=O)C3CCCC3)cc2)c2c(N)ncnc21"]}
{"name": "Chaperonin GroEL", "xref": ["CHEMBL.TARGET:CHEMBL4296299"], "id": "UniProtKB:P0A6F5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCZQBFMPHLFNIO-MOSHPQCFSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)NNc4ccccc4)cc32)c(C)c1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDVKOFTVXLYIV-DAXSKMNVSA-N", "SMILES:NC1=NC(=O)/C(=C2\\CCNC(=O)c3[nH]c4c(Br)csc4c32)N1"]}
{"name": "Serine/threonine-protein kinase SIK1", "xref": ["CHEMBL.TARGET:CHEMBL6082"], "id": "UniProtKB:P57059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NUAK family SNF1-like kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5784"], "id": "UniProtKB:O60285", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105350", "category": ["biolink:ChemicalEntity"], "name": "BISDEMETHOXYCURCUMIN", "xref": ["InChIKey:PREBVFJICNPEKM-YDWXAUTNSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL179512", "category": ["biolink:ChemicalEntity"], "name": "DEMETHOXYCURCUMIN", "xref": ["InChIKey:UEPVWRDHSPMIAZ-IZTHOABVSA-N", "SMILES:COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(O)cc2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL479650", "category": ["biolink:ChemicalEntity"], "name": "HEXAHYDROCURCUMIN", "xref": ["InChIKey:RSAHICAPUYTWHW-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(=O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL318743", "category": ["biolink:ChemicalEntity"], "name": "TETRAHYDROCURCUMIN", "xref": ["InChIKey:LBTVHXHERHESKG-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL375355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTUXXYVZPCZOEG-UHFFFAOYSA-M", "SMILES:COc1cc(OC)c2c(C)[n+](-c3cccc4ccccc34)c(C)cc2c1.[O-][Cl+3]([O-])([O-])[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCFXWPIJJRCNV-UHFFFAOYSA-M", "SMILES:COc1cc(OC)c2c(C)[n+](-c3ccc(C(C)C)cc3)c(C)cc2c1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DINXRUJLCKSYEA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(C)[n+](-c3ccc(C)cc3)c(C)cc2c1.F[B-](F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVMKXWSRODLWIP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(C)[n+](-c3c(C)cccc3C)c(C)cc2c1.F[B-](F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1294", "category": ["biolink:ChemicalEntity"], "name": "QUINIDINE", "xref": ["InChIKey:LOUPRKONTZGTKE-LHHVKLHASA-N", "SMILES:C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12"], "synonym": ["Quinidine", "(8r,9s)-quinidine", ".beta.-quinidine", "Conquinine", "Kinidin", "Pitayine", "Quinidine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL479463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVQUWKDFNIVPS-MHZLTWQESA-N", "SMILES:CN(Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O"]}
{"name": "Aldo-keto reductase family 1 member A1", "xref": ["CHEMBL.TARGET:CHEMBL4049"], "id": "UniProtKB:P50578", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJGWCQEGROXEE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273910", "category": ["biolink:ChemicalEntity"], "name": "MINALRESTAT", "xref": ["InChIKey:BMHZAHGTGIZZCT-UHFFFAOYSA-N", "SMILES:O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12"], "synonym": ["Minalrestat", "WAY-ARI-509", "Minalrestat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180239", "category": ["biolink:ChemicalEntity"], "name": "CURCUMIN PYRAZOLE", "xref": ["InChIKey:LKLASFRCXLTNMY-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)[nH]n2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL481600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWIIDPQXPFILEL-GQCTYLIASA-N", "SMILES:COc1cc(/C=C/c2n[nH]c(C)c2C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJCIXCWAMXHVQD-HWKANZROSA-N", "SMILES:COc1cc(/C=C/c2cc(C)[nH]n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJUASUFRYJYQD-JBMYGLIUSA-N", "SMILES:C[C@]12C[C@H](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJFFZDAMFZFTM-FXFJOQCXSA-N", "SMILES:C[C@]12C[C@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRXBKSZGQHXBDO-UHFFFAOYSA-N", "SMILES:O=C(CCCl)c1ccc(O)cc1"]}
{"name": "4-aminobutyrate aminotransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3148"], "id": "UniProtKB:P50554", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224214", "category": ["biolink:ChemicalEntity"], "name": "CARBONYL CYANIDE M-CHLOROPHENYLHYDRAZONE", "xref": ["InChIKey:UGTJLJZQQFGTJD-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=NNc1cccc(Cl)c1"]}
{"name": "Plasmid efflux fluoroquinolone", "xref": ["CHEMBL.TARGET:CHEMBL5308"], "id": "UniProtKB:A5H8A5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJBDGQLLLLBGE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFDBNGUELUOMT-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(=O)C3CCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPMBIMXWTHXWHN-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDFIMXOVIIKQO-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3[nH]2)cc1"]}
{"name": "Gamma-parvin", "xref": ["CHEMBL.TARGET:CHEMBL5793"], "id": "UniProtKB:Q9HBI0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenosine kinase", "xref": ["CHEMBL.TARGET:CHEMBL3589"], "id": "UniProtKB:P55263", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDGSSCZSVKLCY-ZZTWKDBPSA-N", "SMILES:CCC(=O)N[C@@H](CSCCOCCOCCSC[C@H](NC(=O)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPCJTVWRPMJJK-PEELFSNXSA-N", "SMILES:COc1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(C)C(CCC(=O)NCCCCCC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](C)/C=C/C(C)=O)=C(C)C2=C3)cc1"]}
{"name": "Cathepsin B", "xref": ["CHEMBL.TARGET:CHEMBL5187"], "id": "UniProtKB:P10605", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOJDLDAOMUVHLX-IJTFITSESA-N", "SMILES:CC(=O)/C=C/[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21"]}
{"name": "Procathepsin L", "xref": ["CHEMBL.TARGET:CHEMBL5291"], "id": "UniProtKB:P06797", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLQFWTFMZMCGBS-UHFFFAOYSA-N", "SMILES:C=CC1CC2(O)CC3(O)CCC=CC3C2(O)C1(O)CCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZGIOVGHNKXQNY-GONVLDQOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRXQHLQCQYPPMF-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc(C(CC(=O)O)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGHPUPMOUUHPP-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"name": "Stromelysin-2", "xref": ["CHEMBL.TARGET:CHEMBL4270"], "id": "UniProtKB:P09238", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Disintegrin and metalloproteinase domain-containing protein 8", "xref": ["CHEMBL.TARGET:CHEMBL5665"], "id": "UniProtKB:P78325", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Stromelysin-3", "xref": ["CHEMBL.TARGET:CHEMBL2867"], "id": "UniProtKB:P24347", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Matrix metalloproteinase-15", "xref": ["CHEMBL.TARGET:CHEMBL2963"], "id": "UniProtKB:P51511", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Matrix metalloproteinase-16", "xref": ["CHEMBL.TARGET:CHEMBL2200"], "id": "UniProtKB:P51512", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Matrix metalloproteinase-24", "xref": ["CHEMBL.TARGET:CHEMBL5050"], "id": "UniProtKB:Q9Y5R2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDAECHYHSQLRG-UHFFFAOYSA-N", "SMILES:Oc1nc(SCc2ccc(Cl)cc2)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFWHLZTTUUQHL-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nc(C)cc(O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKOJGSQCIDUOCC-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMVHMMHNNPHEW-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470757", "category": ["biolink:ChemicalEntity"], "name": "DIDODECANOYLPHLOROGLUCINOL", "xref": ["InChIKey:AIKYCZDMJFKXLS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)c1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXHOWQIBIUTJW-UHFFFAOYSA-N", "SMILES:CCCCc1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411317", "category": ["biolink:ChemicalEntity"], "name": "RICCARDI C", "xref": ["InChIKey:JMKSVONWZFVEAI-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1ccc-2c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL523685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELLOEULSHGYCG-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAOMOYCMAISIED-URISLNGFSA-N", "SMILES:CC1=CC(=O)O[C@@H]1[C@@H](O)/C=C(\\C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)CO[C@@H](C[C@@]1(C)O)[C@@H]32"], "chembl_natural_product": true}
{"name": "Tubulin--tyrosine ligase", "xref": ["CHEMBL.TARGET:CHEMBL5549"], "id": "UniProtKB:Q8NG68", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFNKLYVALXQMTH-SUXGLGSNSA-N", "SMILES:CC1=CC(=O)O[C@@H]1[C@@H](O)/C=C(\\C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]1(C)O)[C@H]23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL484898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOMUYBKPZYQPSE-FXTKAKNUSA-N", "SMILES:CC1=CC(=O)O[C@@H]1[C@@H](O)/C=C(\\C)CC[C@@H]1[C@@]2(C)CCC[C@]3(C)[C@@H]2[C@H](C[C@@]1(C)O)O[C@@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL496050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJPYFXPUFKKLLQ-JMJGNBEHSA-N", "SMILES:C=C1C[C@@H]2OC[C@]3(C)CCC[C@](C)([C@H]1CC/C(C)=C/C[C@H]1OC(=O)C=C1C)[C@@H]23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL490461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNDGVXYIMIZWAS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487602", "category": ["biolink:ChemicalEntity"], "name": "TOTAROL", "xref": ["InChIKey:ZRVDANDJSTYELM-FXAWDEMLSA-N", "SMILES:CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL590527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSYSALVZZZNDFY-IOSLPCCCSA-N", "SMILES:CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRGMQYBPXHLCR-GHOYLPCTSA-N", "SMILES:BP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(SC)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWFAMSTHLTRGT-YOLSTXSHSA-N", "SMILES:BP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBBUIGLTVTLJV-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2nc3c(O)cccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RARHTPWNVNEXEB-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2nc3cccc(O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHCYFXGWJQKQP-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2nc3cc(O)ccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGBSGZPIDCXNEH-QFIPXVFZSA-N", "SMILES:CCCCCCCCCCCCCC#CC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL322333", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYLSPINGOSINE", "xref": ["InChIKey:YRXOQXUDKDCXME-YIVRLKKSSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL495816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFYBYDDTMMMMBI-FQEVSTJZSA-N", "SMILES:CCCCCCCCCCCCCC#CC(=O)[C@H](CO)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRLDIMZFCFIFC-UHFFFAOYSA-N", "SMILES:O=C1c2cc(NCCN3CCCC3)c3c4c(cc(NCCN5CCCC5)c(c24)C(=O)N1CCN1CCCC1)C(=O)N(CCN1CCCC1)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRLIGWROLDOLS-ZBJSNUHESA-N", "SMILES:CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCCN(C)C)c2ccccc12"]}
{"name": "Dynamin-2", "xref": ["CHEMBL.TARGET:CHEMBL5812"], "id": "UniProtKB:P50570", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYIMRONQBLZJFI-DYTRJAOYSA-N", "SMILES:CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CCCN(C)C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLBAHIVOFHODY-DYTRJAOYSA-N", "SMILES:CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCN(C)C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVNGHMYJLPCBDR-LVZFUZTISA-N", "SMILES:CCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCCN(C)C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEKZKDMVVSTMU-BSYVCWPDSA-N", "SMILES:CCCCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCN(C)C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVDDJWQBNAYCH-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(C)c4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHXVLBINZJAOJ-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(-c2ccccc2)c1"]}
{"name": "Sterol 14-alpha demethylase", "xref": ["CHEMBL.TARGET:CHEMBL1075110"], "id": "UniProtKB:Q7Z1V1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:353153"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQKLJKGCUQYOG-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWWUNQUSCAJKE-CQPWUTEUSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCZYZNDKCLOHE-OUGPXSNASA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODONYDDQNDROG-KJOXKCFISA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZAJRPLUGXRAB-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL500117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLOZGOBKCXNJSB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3C)ccnc12"]}
{"name": "DNA topoisomerase 1", "xref": ["CHEMBL.TARGET:CHEMBL5948"], "id": "UniProtKB:P04786", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"name": "DNA topoisomerase 2", "xref": ["CHEMBL.TARGET:CHEMBL5290"], "id": "UniProtKB:P06786", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508600", "category": ["biolink:ChemicalEntity"], "name": "APRAMIDE A", "xref": ["InChIKey:DFHDGRZCTHONRC-RBFNLMEMSA-N", "SMILES:C#CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL520369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFPKDROEEJGALZ-ILBGXUMGSA-N", "SMILES:COc1cc([C@H]2Oc3c(OC)cc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3O[C@@H]2CO)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOAGUZTTGFPGK-ILBGXUMGSA-N", "SMILES:COc1cc([C@H]2Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc(OC)c3O[C@@H]2CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL91638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMICSFNNFDNGEL-ILBGXUMGSA-N", "SMILES:COc1cc([C@H]2Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3O[C@@H]2CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL89401", "category": ["biolink:ChemicalEntity"], "name": "HYDNOCARPIN", "xref": ["InChIKey:ZYWKQKQEAVWKHD-ILBGXUMGSA-N", "SMILES:COc1cc([C@H]2Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3O[C@@H]2CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL403233", "category": ["biolink:ChemicalEntity"], "name": "MANZAMINE A", "xref": ["InChIKey:FUCSLKWLLSEMDQ-MKYGIPPKSA-N", "SMILES:O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\\CC1)C[C@@]31C[C@@H]3/C=C\\CCCCN3[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL612054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSNINGPDSUBHZ-FEPATLFLSA-N", "SMILES:Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\\CCCCN5CC[C@@H]3[C@]3(CC6/C=C\\CCCCN6[C@H]34)C5)nccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL447326", "category": ["biolink:ChemicalEntity"], "name": "E163", "xref": ["InChIKey:SHNZRWDOZIKVHM-XHFJEOHCSA-O", "SMILES:C[C@H]1O[C@@H](O[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452482", "category": ["biolink:ChemicalEntity"], "name": "E163", "xref": ["InChIKey:IUKZBFPSIRTYSG-VBYALHQYSA-O", "SMILES:Oc1cc(O)c2cc(O[C@@H]3O[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)[o+]c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL443095", "category": ["biolink:ChemicalEntity"], "name": "E163", "xref": ["InChIKey:OXYDYBFRSIUMTB-ORKSFEPZSA-O", "SMILES:C[C@@H]1O[C@@H](O[C@@H]2O[C@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL519793", "category": ["biolink:ChemicalEntity"], "name": "SPINOSAN A ACETATE", "xref": ["InChIKey:GPYDUSJZIYFWHD-UHFFFAOYSA-N", "SMILES:COc1cc(OC(C)=O)ccc1-c1oc2cc3c(cc2c1C=O)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL507237", "category": ["biolink:ChemicalEntity"], "name": "CUCURBITACIN B", "xref": ["InChIKey:IXQKXEUSCPEQRD-QATBOUOLSA-N", "SMILES:CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL498063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DALYWWKMTCBVOR-IUCAKERBSA-N", "SMILES:COc1cc(OC)c2c(O)c3c(cc2c1)O[C@@H](C)[C@H](C)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL325372", "category": ["biolink:ChemicalEntity"], "name": "METHYLPARABEN", "xref": ["InChIKey:LXCFILQKKLGQFO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(O)cc1"], "synonym": ["Methyl parahydroxybenzoate", "Methylparaben", "Killitol", "Methyl p-hydroxybenzoate", "Methyl p-oxybenzoate", "Methyl paraben", "Methyl paraben (e218)", "Methylis hydroxybenzoas", "Methylparaben", "Methylparaben e218", "Moldex", "P-hydroxybenzoic methyl ester", "Preserval m", "Tegosept m", "E-218", "FEMA NO. 2710", "INS NO.218", "INS-218", "NSC-3827", "NSC-406127", "Methylparaben"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL510139", "category": ["biolink:ChemicalEntity"], "name": "CITRININ", "xref": ["InChIKey:CQIUKKVOEOPUDV-IYSWYEEDSA-N", "SMILES:CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(C(=O)O)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL289277", "category": ["biolink:ChemicalEntity"], "name": "EMODIN", "xref": ["InChIKey:RHMXXJGYXNZAPX-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL469613", "category": ["biolink:ChemicalEntity"], "name": "RUBROFUSARIN B", "xref": ["InChIKey:HFPQKJMLIONCGP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3cc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZYRENRMDAPHEM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(O)c3c(=O)c(C)c(C)oc3cc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL497901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGSEYZQYRDTJV-QMMMGPOBSA-N", "SMILES:COc1cc(OC)c2c(O)c3c(c(OC)c2c1)O[C@@H](C)CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL497723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQXDHIRTWHABS-QMMMGPOBSA-N", "SMILES:COc1cc(OC)c2c(O)c3c(cc2c1)O[C@@H](C)CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL497708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQMXQZQIPIILU-IUCAKERBSA-N", "SMILES:COc1cc(OC)c2c(O)c3c(c(OC)c2c1)O[C@@H](C)[C@H](C)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL507582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INEIMIXCEXXGGJ-WKIPAOMUSA-N", "SMILES:CCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\\CCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83747", "category": ["biolink:ChemicalEntity"], "name": "PSAMMAPLIN A", "xref": ["InChIKey:LMAFSGDNHVBIHU-XUIWWLCJSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)/C(Cc1ccc(O)c(Br)c1)=N/O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL7002", "category": ["biolink:ChemicalEntity"], "name": "CIGLITAZONE", "xref": ["InChIKey:YZFWTZACSRHJQD-UHFFFAOYSA-N", "SMILES:CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1"], "synonym": ["Ciglitazone", "Ciglitazona", "ADD-3878", "U-63,287", "U-63287", "Ciglitazone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL41275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDALIBWXVQVFGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371197", "category": ["biolink:ChemicalEntity"], "name": "TRIDOLGOSIR", "xref": ["InChIKey:FXUAIOOAOAVCGD-WCTZXXKLSA-N", "SMILES:O[C@H]1[C@H]2[C@H](O)CCCN2C[C@H]1O"], "synonym": ["Tridolgosir", "Swainsonine"], "chembl_natural_product": true}
{"name": "Linker for activation of T-cells family member 1", "xref": ["CHEMBL.TARGET:CHEMBL5779"], "id": "UniProtKB:O43561", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404116", "category": ["biolink:ChemicalEntity"], "name": "LATRUNCULIN A", "xref": ["InChIKey:DDVBPZROPPMBLW-IZGXTMSKSA-N", "SMILES:C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\\C=C\\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIGAXMKNSOTJL-XHGYJTEYSA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CCCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYFVNBVFJKZHQF-UHFFFAOYSA-N", "SMILES:CN(CCOC(=O)CCCCCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)C1C(Cl)=CC=CC21)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKALBKKDBGQDW-UHFFFAOYSA-N", "SMILES:CN(CCOC(=O)CCCCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMBXNMYKBLVGW-UHFFFAOYSA-N", "SMILES:CN(CCOC(=O)CCCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFRZYSOKBZESZ-UHFFFAOYSA-N", "SMILES:CN(CCOC(=O)CCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIHTTAWOMBXSX-UHFFFAOYSA-N", "SMILES:CN(CCOC(=O)CC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTCHLDDXQQGUFF-DEOSSOPVSA-N", "SMILES:CCOP(=O)(CCCN1CCN(CCCCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC"]}
{"name": "Type II restriction enzyme BamHI", "xref": ["CHEMBL.TARGET:CHEMBL5928"], "id": "UniProtKB:P23940", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1390"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COOVHJHQCPOPQQ-QHCPKHFHSA-N", "SMILES:CCOP(=O)(CCN1CCN(CCCCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBLRHUACWQHFD-QFIPXVFZSA-N", "SMILES:CCOP(=O)(CCCN1CCN(CCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJNVPKBCLZBHZ-NRFANRHFSA-N", "SMILES:CCOP(=O)(CCN1CCN(CCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494213", "category": ["biolink:ChemicalEntity"], "name": "HYMENOIC ACID", "xref": ["InChIKey:LTNNRLSIPOPBOC-YKOULDITSA-N", "SMILES:C/C(=C\\CC[C@H](C)C(=O)O)[C@H]1CC[C@H](C(=O)O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL512955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYKJNQXBIJPPV-DFQATESRSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTONSZTXKQBYQC-APYUEPQZSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZXLHCBXYDTOF-KPQYALRZSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468641", "category": ["biolink:ChemicalEntity"], "name": "BERKELEYAMIDE C", "xref": ["InChIKey:SORSUPGCQWSYDP-UHFFFAOYSA-N", "SMILES:CC(=O)OC(c1ccccc1)c1cc(=O)c(C(=O)NC(=O)CC(C)C)cn1CCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL468640", "category": ["biolink:ChemicalEntity"], "name": "BERKELEYAMIDE B", "xref": ["InChIKey:VDFNZTMTSRBUGD-UHFFFAOYSA-N", "SMILES:CC(=O)OC(c1ccccc1)c1cc(=O)c(C(=O)NC(=O)CC(C)C)co1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL467788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZJBSYXZSHJNQX-ULQLWLPVSA-N", "SMILES:Oc1ccc2c3c1OC[C@H]1CC[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]34C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCHVRHWSNGPAMH-SRRFXAJZSA-N", "SMILES:COc1ccc2c3c1OC[C@H]1CC[C@]4(O)[C@H](C2)N(C)CC[C@@]34C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452374", "category": ["biolink:ChemicalEntity"], "name": "NEOCHAMAEJASMIN A", "xref": ["InChIKey:RNQBLQALVMHBKH-OIWKEWRZSA-N", "SMILES:O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL468815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGZHYMVMFIEIY-UHFFFAOYSA-N", "SMILES:NC(=O)CSc1nc2ncnc(N)c2[nH]1"], "synonym": ["BAS-00161987"]}
{"name": "Spermidine synthase", "xref": ["CHEMBL.TARGET:CHEMBL5803"], "id": "UniProtKB:Q9NFS5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBAGQSBDKJBUGJ-UHFFFAOYSA-N", "SMILES:Nc1nnc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHZGXXXQMBAXGH-QPJJXVBHSA-N", "SMILES:O=C(c1ccc2[nH]cnc2c1)N1CCN(C/C=C/c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJZDNVPIQJTKHB-UHFFFAOYSA-N", "SMILES:CN(C)CCSc1ccc(-c2cc(-c3ccco3)nc(SCCN(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYGAQUGMWCDGU-UHFFFAOYSA-N", "SMILES:CN(C)CCSc1ccc(-c2cc(-c3cccs3)nc(SCCN(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJRXHPNZGDOGE-UHFFFAOYSA-N", "SMILES:NCCCCCc1nc2ccccc2[nH]1"], "synonym": ["BAS-03107294"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYTXJNZMFRSLX-OKOIUDDXSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL219375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYDRBBPYPDBRO-WNIOSIORSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPEOLRRQBJZIFT-QSEPGMEZSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSCC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSNCPDOPCVHFBM-GFDUUSBCSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2c[nH]c(C(=O)O)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVOKPOUPCJMKAF-AOASHZSCSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2c[nH]c(C(=O)O)c2)CCSSCC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450786", "category": ["biolink:ChemicalEntity"], "name": "PHA-665752", "xref": ["InChIKey:OYONTEXKYJZFHA-SSHUPFPWSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL101008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKRREVSELFOLDT-UHFFFAOYSA-N", "SMILES:CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL26687", "category": ["biolink:ChemicalEntity"], "name": "MESCALINE", "xref": ["InChIKey:RHCSKNNOAZULRK-UHFFFAOYSA-N", "SMILES:COc1cc(CCN)cc(OC)c1OC"], "synonym": ["Mescaline", "2-(3,4,5-trimethoxyphenyl)ethanamine", "M (psychedelic)", "Mescaline", "NSC-30419"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL100626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUZLDMANNCPSHX-UHFFFAOYSA-N", "SMILES:NCCc1c2c(cc3c1OCC3)OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12420", "category": ["biolink:ChemicalEntity"], "name": "N,N-DIMETHYLTRYPTAMINE", "xref": ["InChIKey:DMULVCHRPCFFGV-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2ccccc12"], "synonym": ["Dimethyltryptamine", "Dimethyltryptamine", "N,n-dimethyltryptamine", "DEA NO. 7435", "NSC-63795"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL293399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFFJUEYUTHKVMQ-UHFFFAOYSA-N", "SMILES:COc1cc(C)cc(OC)c1CC(C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65547", "category": ["biolink:ChemicalEntity"], "name": "PSILOCIN", "xref": ["InChIKey:SPCIYGNTAMCTRO-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2cccc(O)c12"], "synonym": ["4-ho-dmt", "Psilocin", "Psilocyn"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL8600", "category": ["biolink:ChemicalEntity"], "name": "DOM", "xref": ["InChIKey:NTJQREUGJKIARY-UHFFFAOYSA-N", "SMILES:COc1cc(CC(C)N)c(OC)cc1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL8224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJKWPGVENNMCC-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)c(CC(C)N)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL101189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZDFADGMVOSVIX-UHFFFAOYSA-N", "SMILES:NCCc1c2c(c(Br)c3c1OCC3)OCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6607", "category": ["biolink:ChemicalEntity"], "name": "BROLAMFETAMINE", "xref": ["InChIKey:FXMWUTGUCAKGQL-UHFFFAOYSA-N", "SMILES:COc1cc(CC(C)N)c(OC)cc1Br"], "synonym": ["Brolamfetamine", "Brolanfetamina", "Bromo-dma", "J275.083J"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGOTSORDNBMHP-UHFFFAOYSA-N", "SMILES:COc1cc(C(F)(F)F)c(OC)cc1CC(C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMZUEKZENQUJY-UHFFFAOYSA-N", "SMILES:COc1cc(CC(C)N)c(OC)cc1I"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL149024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIKPTWKWYXCBEC-UHFFFAOYSA-N", "SMILES:CC(N)Cc1c2ccoc2c(Br)c2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267777", "category": ["biolink:ChemicalEntity"], "name": "RITANSERIN", "xref": ["InChIKey:JUQLTPCYUFPYKE-UHFFFAOYSA-N", "SMILES:Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"], "synonym": ["Ritanserin", "Ritanserin", "Ritanserine", "Ritanserina", "Ritanserin", "Ritanserin", "NSC-758470", "R 55,667", "R-55667", "Tiserton", "Ritanserin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVMGIFXMOEEJA-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRPGQMCADXNZQN-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWIJKLXSGANTJL-UHFFFAOYSA-N", "SMILES:CC(N)Cc1cc(F)c(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUYLBDQSCRSJBH-UHFFFAOYSA-N", "SMILES:CC(N)Cc1c2ccccc2c(Br)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFCQINWERPNOHI-UHFFFAOYSA-N", "SMILES:CSc1cc(CC(C)N)c(SC)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXBCTFKCKEDNI-UHFFFAOYSA-N", "SMILES:COc1cc(CCN)cc(OC)c1OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458178", "category": ["biolink:ChemicalEntity"], "name": "KASANOSIN A", "xref": ["InChIKey:BZFOKKQJMFIXDI-NQQCORKOSA-N", "SMILES:COc1cc(C)c(C(=O)O[C@H]2CC3=C(COC(/C=C/CO)=C3)C(=O)[C@@]2(C)O)c(O)c1"], "chembl_natural_product": true}
{"name": "DNA polymerase beta", "xref": ["CHEMBL.TARGET:CHEMBL4343"], "id": "UniProtKB:P06766", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457091", "category": ["biolink:ChemicalEntity"], "name": "KASANOSIN B", "xref": ["InChIKey:RXZVFRWOOCCTMJ-NQQCORKOSA-N", "SMILES:COc1cc(C)c(C(=O)O[C@]2(C)C(=O)C3=C(C=C(/C=C/CO)OC3)C[C@@H]2O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL911", "category": ["biolink:ChemicalEntity"], "name": "ZOLPIDEM", "xref": ["InChIKey:ZAFYATHCZYHLPB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1"], "synonym": ["Zolpidem", "Zolpidem", "Zolpidem", "Zolpidem", "Sanval", "Zolpidem", "Zolpidem civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL417990", "category": ["biolink:ChemicalEntity"], "name": "BICUCULLINE", "xref": ["InChIKey:IYGYMKDQCDOMRE-ZWKOTPCHSA-N", "SMILES:CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3216441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSECOAJFCKFQJG-UHFFFAOYSA-N", "SMILES:Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12"]}
{"name": "Ras-related C3 botulinum toxin substrate 1", "xref": ["CHEMBL.TARGET:CHEMBL5628"], "id": "UniProtKB:P63001", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430060", "category": ["biolink:ChemicalEntity"], "name": "APICIDIN", "xref": ["InChIKey:JWOGUUIOCYMBPV-GMFLJSBRSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL356066", "category": ["biolink:ChemicalEntity"], "name": "DACINOSTAT", "xref": ["InChIKey:BWDQBBCUWLSASG-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO"], "synonym": ["Dacinostat", "Laq-824", "LAQ824", "NVP-LAQ824"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYZOIKEFKGZDU-QPUKNUKYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)[C@@H](C)CC)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525025", "category": ["biolink:ChemicalEntity"], "name": "CONANTOKIN G", "xref": ["InChIKey:HTBKFGWATIYCSF-QGXIKSNHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C(=O)O)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL506048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGZCXUXASNDAC-QQNGCVSVSA-N", "SMILES:C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4cc(O)c(c(Cl)c4)O[C@@H]4C#C/C=C/3C#CC3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]3O)c2NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL454280", "category": ["biolink:ChemicalEntity"], "name": "4-HYDROXYNON-2-ENAL", "xref": ["InChIKey:JVJFIQYAHPMBBX-FNORWQNLSA-N", "SMILES:CCCCCC(O)/C=C/C=O"], "chembl_natural_product": true}
{"name": "Transient receptor potential cation channel subfamily A member 1", "xref": ["CHEMBL.TARGET:CHEMBL5160"], "id": "UniProtKB:Q6RI86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOFNLTDFFYVXTP-ZXFXATRDSA-N", "SMILES:C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4ccc(c(O)c4)O[C@@H]4C#C/C=C/3C#CC3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]3O)c2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXSWCUQABXPFS-UHFFFAOYSA-N", "SMILES:Nc1c(O)cccc1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL485831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTRCUPCARNIPZ-CIUDSAMLSA-N", "SMILES:NC(=O)CC[C@H](N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXBTAXTZTYBRN-BQUSMCMVSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRDGGXTVZOZNE-SRVKXCTJSA-N", "SMILES:CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAHJSSDRIVBEIH-IHRRRGAJSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAFUKKQSZAJRCH-UWVGGRQHSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKAKERBLOUZVLY-AVGNSLFASA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYZZMPFLOLSMHL-CIUDSAMLSA-N", "SMILES:NC(=O)CC[C@H](N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFMHBFVZXDWWRU-HGNGGELXSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMUAGGSDZXTHX-BYPYZUCNSA-N", "SMILES:NCC(=O)N[C@@H](CCC(N)=O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL485836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHUPOVIAGFBNJ-DCAQKATOSA-N", "SMILES:CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVGHPDROAIMFA-YDQMBMOMSA-N", "SMILES:C[C@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](N)C(=O)N2)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@@H](C(N)=O)NC3=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILMKBHRRAVBBMV-CPQFHPGLSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@H](C(N)=O)CSSC[C@H](NC(=O)[C@@H](CC(N)=O)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBOZSREAVWALC-LNTXGMPKSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@H](C(N)=O)CSSC[C@H](NC(=O)[C@@H](CC(N)=O)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBOHZPDDZVGLQ-CPQFHPGLSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC1=O)C(=O)N[C@H](C(N)=O)CSSC[C@H](NC(=O)[C@@H](CC(N)=O)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGMPWUJQJOYER-VXPUGBOKSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(=O)O)NC1=O)C(=O)N[C@H](C(N)=O)CSSC[C@H](NC(=O)[C@@H](CC(N)=O)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARPGDNKIKDOEV-YBMUANJASA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H](C(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3)C(=O)N[C@H](CC(N)=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFYHIQZYXLVVKM-YCVWMRFTSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H](C(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3)C(=O)N[C@H](CC(N)=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOAFXQNJFCOYGE-CPQFHPGLSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H](C(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3)C(=O)N[C@H](CC(N)=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAPIXEQVQIRZOT-CPQFHPGLSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CSSC[C@@H](C(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3)C(=O)N[C@H](CC(N)=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBHYNQFGHMYNC-VXPUGBOKSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@H](C(N)=O)CSSC[C@H](NC(=O)[C@@H](CC(N)=O)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510801", "category": ["biolink:ChemicalEntity"], "name": "HEMOPRESSIN", "xref": ["InChIKey:DUTLYPZZJJBEAJ-QISMNGAHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222287", "category": ["biolink:ChemicalEntity"], "name": "IBOGAINE", "xref": ["InChIKey:HSIBGVUMFOSJPD-NXWOVTFFSA-N", "SMILES:CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13"], "synonym": ["Ibogaine", "(-)-ibogaine", "10-methoxyibogamine", "12-methoxyibogamine", "Ibogaine", "Ibogamine, 12-methoxy-", "NSC-249764"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1162213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBSWUZVZBDPSD-AGUFWGDISA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@H](COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](OP(O)(=S)OCC(O)COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZAOOBYSLGIQNT-KHAWYQQMSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OCCC(O)CCOP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNXWNMEOICBQX-GKORYALKSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OCC(O)COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKOXDIOWPWMHPS-YIARAUFLSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COCCCCCO)[C@@H](OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OCC(O)COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COCCCCCO)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCMHUDSQXQFMPI-HNTRYXDJSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COCCCO)[C@@H](OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OCC(O)COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COCCCO)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXAXBYLTPXALD-AGUFWGDISA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OCC(O)COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUFVUALVYWMMK-XFTJLDLCSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OCC(O)COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVURBVUGPVUJN-XFTJLDLCSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(O)(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(O)(=S)OCC(O)COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@H]2O)c(=O)n1"]}
{"name": "Tyrosine-protein kinase ZAP-70", "xref": ["CHEMBL.TARGET:CHEMBL2803"], "id": "UniProtKB:P43403", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQFAQQWXFSOOQJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccccc1"]}
{"name": "5-hydroxytryptamine receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL5494"], "id": "UniProtKB:P50407", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTVOXMDTWOXGG-UHFFFAOYSA-N", "SMILES:O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMASPCAHYRBCSG-UHGNYIEKSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4(C(=O)OCCCC)CC4)CC[C@@H]23)C[C@H]1O"]}
{"name": "Vitamin D3 receptor", "xref": ["CHEMBL.TARGET:CHEMBL3150"], "id": "UniProtKB:P13053", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECMDXJIAXDLHA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C1=CCN(c2ncccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFFCNQTELXXKZ-SGILRLPHSA-N", "SMILES:CC(/C=C/C1=C(Cc2ccc3ccccc3c2)CCCC1(C)C)=C\\C=C\\C(C)=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQXFIRDUDHYOY-GYEOHBAKSA-N", "SMILES:CC(/C=C/C1=C(Cc2ccccc2)CCCC1(C)C)=C\\C=C\\C(C)=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJDXHVHASFJGNS-XMRXFRDSSA-N", "SMILES:CC(/C=C/C1=C(CC(C)C)CCCC1(C)C)=C\\C=C\\C(C)=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZTGWEZSZARWSX-XHGCCUEJSA-N", "SMILES:CCCCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDMJSSVVPXVSV-ZVCIMWCZSA-N", "SMILES:CC(=C/C=C/C(C)=C/C(=O)O)/C=C/C1C(C)CCCC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL460962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJFULAYRAKPBCY-DYVFJYSZSA-N", "SMILES:C[C@@H]1CN(CC2(C(N)=O)CC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLBQEJTZWWSND-UHFFFAOYSA-N", "SMILES:CC(C)n1c(-c2ccc(OC(F)(F)F)cc2)nnc1C1(c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOEQILIYUDHSJY-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKEFVSDMFBNDPK-KHPPLWFESA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWGUEQHRWXAZQG-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBIRJKIKHWVOEU-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510509", "category": ["biolink:ChemicalEntity"], "name": "(NICOTINAMIDOMETHYL)PHOSPHONIC ACID", "xref": ["InChIKey:VJTVPFYNVMKBDX-UHFFFAOYSA-N", "SMILES:O=C(NCP(=O)(O)O)c1cccnc1"]}
{"name": "Peptidylglycine alpha-amidating monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL4963"], "id": "UniProtKB:P14925", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNADTZLIYRXONR-HYARGMPZSA-N", "SMILES:Cc1cccc(COc2cccc(/C=C3\\C(=O)NN(C(=O)c4ccc(F)cc4)C3=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQQBIKZYNMYROX-UHFFFAOYSA-N", "SMILES:O=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N(c2ccccc2)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZWVISJSSCQPAP-KGENOOAVSA-N", "SMILES:Cc1cccc(COc2cccc(/C=C3\\C(=O)NN(C(=O)c4ccncc4)C3=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOVZCFAFBBGEL-KGENOOAVSA-N", "SMILES:O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513108", "category": ["biolink:ChemicalEntity"], "name": "DIPLAMINE B", "xref": ["InChIKey:KEDRDGVCNOXHKD-UHFFFAOYSA-N", "SMILES:CSC1=C(CCN)c2nc3ccccc3c3ccnc(c23)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL461462", "category": ["biolink:ChemicalEntity"], "name": "LISSOCLINIDINE B", "xref": ["InChIKey:TWEAHXLHBWIDGZ-UHFFFAOYSA-N", "SMILES:NCCc1c2c(c3nccc4c3c1Nc1ccccc1-4)OCS2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL456197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHMUOUUDFCOZNB-KQQUZDAGSA-N", "SMILES:CCOC(=O)/C=C/C(=O)/C=C/C(=O)OCC"]}
{"name": "4-hydroxy-tetrahydrodipicolinate synthase", "xref": ["CHEMBL.TARGET:CHEMBL4083"], "id": "UniProtKB:P0A6L2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYTNYKVHDMBCNU-AEFFLSMTSA-N", "SMILES:COc1ccc2c(c1)OC[C@@H]1[C@H]2C2=C(OC1(C)C)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBHZCOSRBBWGP-DOTOQJQBSA-N", "SMILES:CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]2c3cc(Br)ccc3OC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWWROSKNQWQAO-WBVHZDCISA-N", "SMILES:CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H]2c3cc(Br)ccc3OC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSOATCJERGHROA-ZBFHGGJFSA-N", "SMILES:CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H]2c3cc(Br)cc(Br)c3OC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRJWQZSCFOOHA-RXVVDRJESA-N", "SMILES:CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]2c3c(ccc4ccccc34)OC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJHAUSTQSSUBI-FUHWJXTLSA-N", "SMILES:COc1ccc2c(c1)OC[C@H]1[C@@H]2C2=C(OC1(C)C)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL123", "category": ["biolink:ChemicalEntity"], "name": "ELLIPTECINE", "xref": ["InChIKey:CTSPAMFJBXKSOY-UHFFFAOYSA-N", "SMILES:Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL456813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNDJVMVKDYCCN-ZXABPTRBSA-N", "SMILES:C=CCOC(=O)N1c2ccc(OCCCOC3CCCCO3)cc2C[C@H]1[C@@H](CC=C)OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269277", "category": ["biolink:ChemicalEntity"], "name": "BETULINIC ACID", "xref": ["InChIKey:QGJZLNKBHJESQX-FZFNOLFKSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "synonym": ["Betulinic acid", ".beta.-betulinic acid", "Betulic acid", "Betulinic acid", "Lupatic acid", "Mairin", "ALS-357", "NSC-113090", "NSC-677578"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL470503", "category": ["biolink:ChemicalEntity"], "name": "COLUBRINIC ACID", "xref": ["InChIKey:SLWJVQQNDGLXTK-IMBMMKFRSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL514409", "category": ["biolink:ChemicalEntity"], "name": "HESPERADIN", "xref": ["InChIKey:GLDSKRNGVVYJAB-DQSJHHFOSA-N", "SMILES:CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2"]}
{"name": "Serine/threonine-protein kinase 38-like", "xref": ["CHEMBL.TARGET:CHEMBL4851"], "id": "UniProtKB:Q9Y2H1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase 33", "xref": ["CHEMBL.TARGET:CHEMBL6005"], "id": "UniProtKB:Q9BYT3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase MARK1", "xref": ["CHEMBL.TARGET:CHEMBL5940"], "id": "UniProtKB:Q9P0L2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "MAP/microtubule affinity-regulating kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL5754"], "id": "UniProtKB:Q96L34", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL516312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTSLALYXYSRPGW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAYGKHKXGCPTLX-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O"]}
{"name": "Serine/threonine-protein kinase 17A", "xref": ["CHEMBL.TARGET:CHEMBL4525"], "id": "UniProtKB:Q9UEE5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin light chain kinase, smooth muscle", "xref": ["CHEMBL.TARGET:CHEMBL2428"], "id": "UniProtKB:Q15746", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXWDQRXGOKDXJT-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2nc(-c3cccc(O)c3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL86755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEZFNTZQMWJIAI-FLIBITNWSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKAONCSNINNEGU-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGMIXWAESLRNR-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGRGXPFYDFNHF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1964275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DANPUZSWWCDWEM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(N3CCCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1"]}
{"name": "SRSF protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4375"], "id": "UniProtKB:Q96SB4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase kinase kinase kinase 5", "xref": ["CHEMBL.TARGET:CHEMBL4852"], "id": "UniProtKB:Q9Y4K4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TRAF2 and NCK-interacting protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL4527"], "id": "UniProtKB:Q9UKE5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase PAK 5", "xref": ["CHEMBL.TARGET:CHEMBL4524"], "id": "UniProtKB:Q9P286", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase ULK3", "xref": ["CHEMBL.TARGET:CHEMBL5047"], "id": "UniProtKB:Q6PHR2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Suppressor of fused homolog", "xref": ["CHEMBL.TARGET:CHEMBL5390"], "id": "UniProtKB:Q9UMX1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP2-associated protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3830"], "id": "UniProtKB:Q2M2I8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BMP-2-inducible protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL4522"], "id": "UniProtKB:Q9NSY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBGMPUIVPOGTGN-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc3ncccc3c(NCCCCN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCXZJCWDGCXQT-UHFFFAOYSA-N", "SMILES:c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1"], "chembl_natural_product": true}
{"name": "eIF-2-alpha kinase GCN2", "xref": ["CHEMBL.TARGET:CHEMBL5358"], "id": "UniProtKB:Q9P2K8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQBYOXIRDIOMDW-CQLBRJSVSA-N", "SMILES:CCCCCC(=O)N(C)C1CC[C@@]2(O)[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFCBIFOAGRZJNX-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1"]}
{"name": "Tyrosine-protein kinase CSK", "xref": ["CHEMBL.TARGET:CHEMBL2634"], "id": "UniProtKB:P41240", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase Fer", "xref": ["CHEMBL.TARGET:CHEMBL3982"], "id": "UniProtKB:P16591", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase Fes/Fps", "xref": ["CHEMBL.TARGET:CHEMBL5455"], "id": "UniProtKB:P07332", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leukocyte tyrosine kinase receptor", "xref": ["CHEMBL.TARGET:CHEMBL5627"], "id": "UniProtKB:P29376", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Insulin receptor-related protein", "xref": ["CHEMBL.TARGET:CHEMBL5483"], "id": "UniProtKB:P14616", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Muscle, skeletal receptor tyrosine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL5684"], "id": "UniProtKB:O15146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase receptor TYRO3", "xref": ["CHEMBL.TARGET:CHEMBL5314"], "id": "UniProtKB:Q06418", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Non-receptor tyrosine-protein kinase TNK1", "xref": ["CHEMBL.TARGET:CHEMBL5334"], "id": "UniProtKB:Q13470", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFDCGXXHXUZSNP-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C"]}
{"name": "Serine/threonine-protein kinase 16", "xref": ["CHEMBL.TARGET:CHEMBL3938"], "id": "UniProtKB:O75716", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Atypical kinase COQ8B, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5753"], "id": "UniProtKB:Q96D53", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKJJFZTALFHMZ-PGCPYWQFSA-N", "SMILES:CC(=C/C=C/C(C)=C/C(=O)O)/C=C/C1=C[C@H](C)CC[C@H]1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOIVPCKZDPCJJY-JQIJEIRASA-N", "SMILES:C/C(=C\\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL457645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPFAXFJCWKZQW-PEQMNPEFSA-N", "SMILES:C=C(C)[C@H]1CCC(C)=C(/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPFAXFJCWKZQW-FXXSCDQUSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C(/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2021517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHOXYDNXCNWBS-ZYSLBKKYSA-N", "SMILES:C=C(C)[C@H]1CC[C@H](C)C(/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2021516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHOXYDNXCNWBS-FRRZSWROSA-N", "SMILES:C=C(C)[C@@H]1CC[C@@H](C)C(/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVMVRFZWXUSRHZ-LTEQKDEISA-N", "SMILES:CC(=C/C=C/C(C)=C/C(=O)O)/C=C/C1=CC(C)(C)[C@@H]2C[C@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2021515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTHLBHNRAIYMD-HBMGFIGGSA-N", "SMILES:CC(=C/C=C/C(C)=C/C(=O)O)/C=C/C1=C[C@@H]2CC[C@]1(C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCEIAFMDZYSWDE-UHFFFAOYSA-N", "SMILES:Cc1cc2c3sc(=O)ccc3ccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINCPHDFVQKLSE-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1Nc1nc(-c2cnc(NC(=O)C(C)(C)C)s2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERLNCVIGMCAMO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL495336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNKRLLOIKZMSCK-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1Nc1nc2c(s1)CCCc1nc(NC(=O)C(C)(C)C)sc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVHUBFOOFGTDDN-UHFFFAOYSA-L", "SMILES:O=C(Nc1ccc2c(O)cc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)[O-])c3)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)[O-])c3)cc2c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQHSJYMXQLNJM-ZDUSSCGKSA-N", "SMILES:CCOC(=O)C[C@H](C)NC(=O)c1csc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJFGHMFECCFSZ-DEOSSOPVSA-N", "SMILES:COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGNYDFRVGJRZJE-NDZAJKAJSA-N", "SMILES:O=C(O)c1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(N3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCISUFQCRUMMD-UHFFFAOYSA-N", "SMILES:CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1cc2cccc(OC)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPEMQEYTJQZIMT-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(OC)cc3)c2C(=O)Nc2ccc(C(=O)OC)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTYCNQJENOQFV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cncc(C#N)c2Nc2cccc(Br)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCOIIOUWFAHFY-LKEWCRSYSA-N", "SMILES:Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)O2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQEAMAOCDFVBJZ-KZFQUHQDSA-N", "SMILES:O=C1O[B-]2([NH2+][C@H]1Cc1ccc(O)cc1)C1CCCC2CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISQMSYJFDSHBMX-VYWJUGDHSA-N", "SMILES:O=C1O[B-]2([NH2+][C@H]1Cc1ccc(O)c(O)c1)C1CCCC2CCC1"]}
{"name": "RAC-beta serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL5382"], "id": "UniProtKB:Q60823", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXXZRJKZRKCOK-MOROJQBDSA-N", "SMILES:CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258392", "category": ["biolink:ChemicalEntity"], "name": "PHYTOLACCOSIDE B", "xref": ["InChIKey:SFZVDNKTWPZIJG-ACNZYQHGSA-N", "SMILES:COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"name": "Chitin synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL3827"], "id": "UniProtKB:P08004", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"name": "Chitin synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL5625"], "id": "UniProtKB:P29070", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:367110"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLWWZBJPUAEDB-SYDIUPFYSA-N", "SMILES:Nc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O"]}
{"name": "Beta-2 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL5943"], "id": "UniProtKB:P04274", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10036"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGOIPCVIXHOLU-BWZSZYTASA-N", "SMILES:O=CNc1cc(C(O)CNCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYVVFUHRFAJPCC-NDIYSDBASA-N", "SMILES:O=CNc1cc(C(O)CNCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUDKUWZRNIESPK-OPIJFSDVSA-N", "SMILES:O=CNc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQFITNYMZQCRI-NDIYSDBASA-N", "SMILES:O=CNc1cc(C(O)CNCCOCCOCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAILRDRYXUVTKB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1n[nH]cc1Br)c1cccc2nsnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRLQYFVZAZKHIB-UHFFFAOYSA-N", "SMILES:CCCOCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62136", "category": ["biolink:ChemicalEntity"], "name": "T091317", "xref": ["InChIKey:SGIWFELWJPNFDH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYLMKBOWXDDCT-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1cc(Cl)c(O)c(Cl)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL59030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAXSRXHZFIBFMI-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHQDETIJWKXCTC-UHFFFAOYSA-N", "SMILES:O=C(OO)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVYLTSKTCWWJR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)OO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYAFUFFMKVNKA-VQAOGJCVSA-N", "SMILES:CC(C)CN(CC(=O)N(CCCCN)CC(=O)N(CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(CSC1CC(=O)N(c2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)C1=O)C(N)=O)[C@H](C)c1ccccc1)C(=O)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCTXVFEUODLKL-ANFMRNGASA-N", "SMILES:CC(C)CN(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)CC(C)C)Cc1ccc2c(c1)OCO2)[C@H](C)c1ccccc1)C(=O)CNCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVCBHFZICJIYTO-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHMVNUPBBMBPQG-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1sc(NCCc2cccs2)nc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSJURQYNCYVKV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)CN(C)C)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFEBJWBMYVVIJO-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(OCCN3CCC(Cc4cccc(C5CCN(C)CC5)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDRFYHOTHUYSQL-UHFFFAOYSA-N", "SMILES:O=c1sn(-c2ccccc2)c(=O)n1CCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVDZJGBGUEPQR-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1sc(=O)n(-c2cccc(C(=O)OCC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZUOTZOCOMDDO-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)C1CC(=O)CC(=O)C1"]}
{"name": "Glyceraldehyde-3-phosphate dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL2284"], "id": "UniProtKB:P04406", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peroxiredoxin-1", "xref": ["CHEMBL.TARGET:CHEMBL5315"], "id": "UniProtKB:Q06830", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETMVSVVUMRVOJ-AMMQDNIMSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)OCCn1cc(COC(=O)/C=C/c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDIOREYZCQRJAU-VVTBOSLKSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)OCc1cn(CC(COCC(Cn2cc(COC(=O)/C=C/c3ccc(O)c(O)c3)nn2)(Cn2cc(COC(=O)/C=C/c3ccc(O)c(O)c3)nn2)Cn2cc(COC(=O)/C=C/c3ccc(O)c(O)c3)nn2)(Cn2cc(COC(=O)/C=C/c3ccc(O)c(O)c3)nn2)Cn2cc(COC(=O)/C=C/c3ccc(O)c(O)c3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDXQNDMZGSQQPD-KYHVQOAOSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)OCCn1cc(COCC(COCc2cn(CCOC(=O)/C=C/c3ccc(O)c(O)c3)nn2)(COCc2cn(CCOC(=O)/C=C/c3ccc(O)c(O)c3)nn2)COCc2cn(CCOC(=O)/C=C/c3ccc(O)c(O)c3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDDFHNASJYTIQF-FCXRPNKRSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)OCCn1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANAQNPMWXNHDKD-AMMQDNIMSA-N", "SMILES:O=C(/C=C/c1ccccc1)OCCn1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469753", "category": ["biolink:ChemicalEntity"], "name": "PERILLAKETONE", "xref": ["InChIKey:LVHLZMUFIYAEQB-UHFFFAOYSA-N", "SMILES:CC(C)CCC(=O)c1ccoc1"], "chembl_natural_product": true}
{"name": "Transient receptor potential cation channel subfamily M member 8", "xref": ["CHEMBL.TARGET:CHEMBL5011"], "id": "UniProtKB:Q8R455", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469537", "category": ["biolink:ChemicalEntity"], "name": "PERILLALDEHYDE", "xref": ["InChIKey:RUMOYJJNUMEFDD-UHFFFAOYSA-N", "SMILES:C=C(C)C1CC=C(C=O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL392369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAINHNNAIDVCEZ-NRFANRHFSA-N", "SMILES:COc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1"], "synonym": ["NSC-12352"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEPKMFLFRNDVAW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSOMZULPWLNJAI-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c3ccccc3c(Cl)c3ccccc23)c1C(=O)Nc1cc(C(=O)NCCCN(C)C)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHFJJCVFBCBFLU-IKXKFBGNSA-N", "SMILES:CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C1\\C=C2OCOC2=CC1=O"]}
{"name": "Dehydrogenase/reductase SDR family member 9", "xref": ["CHEMBL.TARGET:CHEMBL5974"], "id": "UniProtKB:Q9BPW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWACNOEJIDFIN-QFUCXCTJSA-N", "SMILES:CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC1=CC(=O)C=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL461471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPXDKDFWEZFRKT-QFUCXCTJSA-N", "SMILES:C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1Cc1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUYOQXWLUITIN-LFVRLGFBSA-N", "SMILES:COC1=CC(=O)C(=O)C(C[C@@]2(C)C3=C(CC[C@@H]2C)C(C)(C)CCC3)=C1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456619", "category": ["biolink:ChemicalEntity"], "name": "(+/-)-WIEDENDIOL B", "xref": ["InChIKey:SJKXQWZJYOQHJG-PBCMMTHMSA-N", "SMILES:COc1ccc(O)c(O)c1/C=C1\\[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL456414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKIJNYMLYFOECD-LDJQZATESA-N", "SMILES:C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC1=C(O)C(=O)C=C(OC)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL514876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APGCGKNHDQBBQT-PSOPLJNKSA-N", "SMILES:COC1=CC(=O)C(O)=C(/C=C2\\[C@@H](C)CC[C@H]3C(C)(C)CCC[C@]23C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL456845", "category": ["biolink:ChemicalEntity"], "name": "PROTECTED SIPHONODICTYAL C", "xref": ["InChIKey:FVLNQXATEZRFTD-VAXXYWNWSA-N", "SMILES:COc1c(C[C@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@]23C)cc2c(c1C=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCGCBPZIRIDNF-UHFFFAOYSA-N", "SMILES:CNCCNc1c2c(c(NCCNC)c3sccc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQDXGZRFIKVXRX-UHFFFAOYSA-N", "SMILES:N=C(N)NCCNc1c2c(c(NCCNC(=N)N)c3sccc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPFXAMYXKUKBD-UHFFFAOYSA-N", "SMILES:CN(CCNc1c2c(c(NCCN(C)C(=N)N)c3sccc13)C(=O)c1ccccc1C2=O)C(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVJWCGGKBQXDV-TVZWHCCBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPYIATJPXSWXFQ-CQEGFJHYSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "Beta-secretase 1", "xref": ["CHEMBL.TARGET:CHEMBL4593"], "id": "UniProtKB:P56818", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSHCYUDMSEHJD-YJUQIHOTSA-N", "SMILES:CCCCCCCCCCCCCCCCOC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQRGAYHAXQZLV-CYGFGGMBSA-N", "SMILES:CCCCCCCCCCCCCCOC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1729", "category": ["biolink:ChemicalEntity"], "name": "CISAPRIDE", "xref": ["InChIKey:DCSUBABJRXZOMT-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC"], "synonym": ["Cisapride", "Cisapride", "Cisaprida", "Cisapride", "Cisapride", "R-51,619", "R-51619", "Cisapride", "Cisapride"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL457041", "category": ["biolink:ChemicalEntity"], "name": "PENICILLIOL A", "xref": ["InChIKey:SDJFAZYNJXZUJT-DVJWZOGQSA-N", "SMILES:C/C=C/C(=O)C1=C(OC)OC(C)(/C=C/C=C/C(C)O)C1=O"], "chembl_natural_product": true}
{"name": "DNA polymerase kappa", "xref": ["CHEMBL.TARGET:CHEMBL5365"], "id": "UniProtKB:Q9UBT6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513800", "category": ["biolink:ChemicalEntity"], "name": "PENICILLIOL B", "xref": ["InChIKey:YZTKWXBVDPNYJD-KQQUZDAGSA-N", "SMILES:COC1=C(C(=O)CC(C)O)C(=O)C(C)(/C=C/C=C/C(C)O)O1"], "chembl_natural_product": true}
{"name": "DNA polymerase iota", "xref": ["CHEMBL.TARGET:CHEMBL5159"], "id": "UniProtKB:Q6R3M4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221959", "category": ["biolink:ChemicalEntity"], "name": "TOFACITINIB", "xref": ["InChIKey:UJLAWZDWDVHWOW-YPMHNXCESA-N", "SMILES:C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12"], "synonym": ["Tofacitinib", "Tofacitinib", "Tofacitinib", "Tofacitinib", "Cp-690 free base", "Tofacitinib", "550", "CP 690550", "CP- 690 550", "CP-690", "CP-690,550", "CP-690,550 FREE BASE", "CP-690-550", "CP-690550", "CP-690550 FREE BASE", "CP690,550", "CP690550", "Tofacitinib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL446278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGXCZRRNBBJWHI-ZXDNMGRFSA-N", "SMILES:Cc1ccc(-c2c(C(=O)CF)n(CCCOC(=O)NCCCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]34)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKLGYJACVCXYIL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PELFTNQHGSITLB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1"]}
{"name": "Tyrosine-protein kinase transforming protein Src", "xref": ["CHEMBL.TARGET:CHEMBL4296300"], "id": "UniProtKB:P00524", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:269446"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHSRRHGYXQCRPU-AWEZNQCLSA-N", "SMILES:CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL501054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCLCCVOPDDLUQD-NGBPOESUSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCOCCOCCOCCNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)CCCCNC(=O)c1cc(N=C=S)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12"]}
{"name": "SHC-transforming protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5626"], "id": "UniProtKB:P29353", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJKZWVRDDPSXSD-GBLJVCFHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCOCCOCCOCCNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)CCCCNC(=O)c1cc(N=C=S)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYJNSBDHOVLAH-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F"]}
{"name": "Cell division protein FtsZ", "xref": ["CHEMBL.TARGET:CHEMBL5690"], "id": "UniProtKB:P17865", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:224308"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBKPYIEQLLNBK-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL470370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZLNJTXHZPHLM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRXAOORRMVWVJI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2csc(NC(=O)N3CCOCC3)n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPMOKRWIYQGMJL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFQCXKTYZFFFT-IEKWHWCOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"name": "Aldehyde dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2812"], "id": "UniProtKB:P11884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31965", "category": ["biolink:ChemicalEntity"], "name": "CANERTINIB", "xref": ["InChIKey:OMZCMEYTWSXEPZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1"], "synonym": ["Canertinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLWHIGPBJKXNOY-UHFFFAOYSA-N", "SMILES:C1=CC2=C(CC1)C1=Cc3c(ccc4nccn34)NC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLQILXLZBUERRF-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCc1cc3ccn4ccnc4c3nc1-2"]}
{"name": "Heat shock factor protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5313"], "id": "UniProtKB:P38532", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGPVRSCACKHFO-UHFFFAOYSA-N", "SMILES:CC(C)C(NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFWJRSLGATFCD-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)C(Cc2ccccc2)NC(=O)Cn2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMNKEJUNJNLOJR-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)C(CC(C)C)NC(=O)Cn2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONCYAVRUVQCAEG-UHFFFAOYSA-N", "SMILES:CC(C)CC(NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHOJXZFJIKIOGA-UHFFFAOYSA-N", "SMILES:C#CCN1CCN(Cc2ccc(OC(=O)N(C)C)c3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502835", "category": ["biolink:ChemicalEntity"], "name": "NINTEDANIB", "xref": ["InChIKey:XZXHXSATPCNXJR-ZIADKAODSA-N", "SMILES:COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1"], "synonym": ["Nintedanib", "Nintedanib", "Nintedanib", "Intedanib", "Bibf-1120", "Nintedanib", "BIBF 1120", "BIBF-1120", "BIBF1120", "Nintedanib component of ofev", "Ofev", "Vargatef", "Nintedanib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL366356", "category": ["biolink:ChemicalEntity"], "name": "DIGALLIC ACID", "xref": ["InChIKey:COVFEVWNJUOYRL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL500689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTXYYNYODFLYGT-UHFFFAOYSA-N", "SMILES:CCc1c(C2=NC(=O)C(C)(C)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBRMLHZEWHOPM-UHFFFAOYSA-N", "SMILES:Cc1c(C2=NC(=O)C(C)(C)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHSJMXZGJNACF-UHFFFAOYSA-N", "SMILES:Cc1c(C2=NC(=S)C(C)(C)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFRFEYFESMIGH-UHFFFAOYSA-N", "SMILES:CCc1c(C2=NC(=S)C(C)(C)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGHJYABDWNPSR-UHFFFAOYSA-N", "SMILES:CCc1c(C2=NC(C)(C)C(=O)N2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHFAECIDZYWNP-UHFFFAOYSA-N", "SMILES:CCc1c(C2=NC3(CCC3)C(=O)N2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USNWJHORIWPSKG-UHFFFAOYSA-N", "SMILES:CCc1c(C2=NC(C)(C)C(=O)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUGITICATHPZBS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCNC1CCN(CCN)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRZMAAAXZIFIA-LJAQVGFWSA-N", "SMILES:CCCCCCCCCCCCCCC(=O)N1CCC(C2CCN(C(=O)[C@@H](N)CCCCN)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNAKRBUBVZABQS-PMERELPUSA-N", "SMILES:CCCCCCCCCCCCCCCN1CCC(C2CCN(C(=O)[C@@H](N)CCCCN)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBZTQCUQKJWQG-MHZLTWQESA-N", "SMILES:CCCCCCCCCCCCCCCNC1CCN(CCNC(=O)[C@@H](N)CCCCN)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYADFLAJOJOPBC-VWLOTQADSA-N", "SMILES:CCCCCCCCCCCCCCCNC1CCN(C(=O)[C@@H](N)CCCCN)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESZTSPBRDBHCW-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(CC2CNCC2OCCNCCc2cccc(F)c2)c1"]}
{"name": "Nitric oxide synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL3048"], "id": "UniProtKB:P29476", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL293212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZVGLDBDDYESAB-UHFFFAOYSA-N", "SMILES:N=C(Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL441343", "category": ["biolink:ChemicalEntity"], "name": "PARABEN", "xref": ["InChIKey:FJKROLUGYXJWQN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL519922", "category": ["biolink:ChemicalEntity"], "name": "GELLIUSINE A", "xref": ["InChIKey:CYAJKOUHPRYFRD-UHFFFAOYSA-N", "SMILES:NCCc1c(C(CN)c2c[nH]c3cc(Br)ccc23)[nH]c2cc(C(CN)c3c[nH]c4cc(Br)ccc34)c(O)cc12"], "chembl_natural_product": true}
{"name": "Somatostatin receptor", "xref": ["CHEMBL.TARGET:CHEMBL5264"], "id": "UniProtKB:Q7TT86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42280", "category": ["biolink:ChemicalEntity"], "name": "L-ADRENALINE", "xref": ["InChIKey:UCTWMZQNUQWSLP-SECBINFHSA-N", "SMILES:CNC[C@@H](O)c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513538", "category": ["biolink:ChemicalEntity"], "name": "NIDEMONE", "xref": ["InChIKey:HMYHQSWJLABPMD-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)CC12CCc1cccc(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL472431", "category": ["biolink:ChemicalEntity"], "name": "EPHEMERANTHOQUINONE", "xref": ["InChIKey:SBMILRCXQPFDME-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)C2=C(CCc3cc(O)ccc32)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL450788", "category": ["biolink:ChemicalEntity"], "name": "BATATASIN III", "xref": ["InChIKey:VYQXIUVIYICVCM-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(CCc2cccc(O)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL219553", "category": ["biolink:ChemicalEntity"], "name": "GIGANTOL", "xref": ["InChIKey:BMSPEISBKGSBTR-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(CCc2ccc(O)c(OC)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL447998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFBFJSQTXYOUAV-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2ccccc2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL228120", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROPINOSYLVIN", "xref": ["InChIKey:LDBYHULIXFIJAZ-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(CCc2ccccc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL111234", "category": ["biolink:ChemicalEntity"], "name": "DIHYDRORESVERATROL", "xref": ["InChIKey:HITJFUSPLYBJPE-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCc2cc(O)cc(O)c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL444998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLWPFRFUHSWOA-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2cc(OC)cc(OC)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL479325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZJVKFVOMTAFO-UHFFFAOYSA-N", "SMILES:Oc1cccc(CCc2cc(O)cc(O)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL477124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJURJXPMJANDW-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2cc(O)cc(OC)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBYGUHECONSDC-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(CCc2ccc(O)cc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL329520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTLRRKBJXAJHJD-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(CCc2ccc(O)c(O)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL525620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXKMCMZHJBJGCT-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(CCc2ccc(OC)c(OC)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL110154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWLGCOVGGWHHO-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2cc(O)cc(O)c2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL426871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDXKZPQOVUDXIY-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(CCc2ccc(OC)c(O)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL519743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRRYKYLZWKBBM-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2ccc(OC)c(OC)c2)cc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL472432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZXMJUKEEAOGQU-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2ccc(O)c(OC)c2)cc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGVFOULCIYYQP-ZDUSSCGKSA-N", "SMILES:CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(O)c(O)c(O)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKARUZCSBEVOG-SFHVURJKSA-N", "SMILES:CC(=O)N[C@H]1CCc2cc(O)c(O)c(O)c2-c2ccc(NC(=O)c3ccc(Cl)cc3)c(=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZEQDSMFACWASC-MDZDMXLPSA-N", "SMILES:COc1c(C)c(O)c(C)c(O)c1C(=O)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL451064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGKLFKHHSFCDKC-WMRAFNHZSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL451529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTALRKDQMPEZAD-OOQFFGIESA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL445174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZBAYEDJGKCDRG-HEQXVAOLSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL503811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZXMLYSEGPOCJ-TVQMTTCNSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@H]7[C@](C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)(CC[C@@H](C)[C@@]7(C)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL505479", "category": ["biolink:ChemicalEntity"], "name": "HOOKEROSIDE A", "xref": ["InChIKey:JDUQDAUPICIAJC-OIMZSCKJSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL444815", "category": ["biolink:ChemicalEntity"], "name": "HOOKEROSIDE B", "xref": ["InChIKey:REHKXYHSPOHRPZ-JKMXVPEOSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL502517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMQSLVVHZAFKJ-RQZRKUQTSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL461308", "category": ["biolink:ChemicalEntity"], "name": "MANASSANTIN B", "xref": ["InChIKey:GSWZMFDCPMPHDL-FZBBBUCASA-N", "SMILES:COc1ccc([C@@H](O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)[C@H](O)c5ccc6c(c5)OCO6)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL486004", "category": ["biolink:ChemicalEntity"], "name": "KLUGINE", "xref": ["InChIKey:IIFHKWNCTVOSKL-OKGGWNPJSA-N", "SMILES:CC[C@H]1CN2CCc3cc(O)c(OC)cc3[C@@H]2C[C@@H]1C[C@@]1(O)NCCc2cc(O)c(OC)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL50588", "category": ["biolink:ChemicalEntity"], "name": "EMETINE", "xref": ["InChIKey:AUVVAXYIELKVAI-CKBKHPSWSA-N", "SMILES:CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21"], "synonym": ["Emetine", "(-)-emetine", "6',7',10,11-tetramethoxyemetan", "Cephaeline methyl ether", "Emetan, 6',7',10,11-tetramethoxy-", "Emetin", "Emetinum", "GNF-Pf-196", "NSC-33669", "TCMDC-125531"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL486005", "category": ["biolink:ChemicalEntity"], "name": "ISOCEPHAELINE", "xref": ["InChIKey:DTGZHCFJNDAHEN-IAUHIMIASA-N", "SMILES:CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1NCCc2cc(O)c(OC)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL414890", "category": ["biolink:ChemicalEntity"], "name": "PROTOAPIGENONE", "xref": ["InChIKey:DLMOVPAUHQQYHA-UHFFFAOYSA-N", "SMILES:O=C1C=CC(O)(c2cc(=O)c3c(O)cc(O)cc3o2)C=C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513024", "category": ["biolink:ChemicalEntity"], "name": "GLYCITEIN", "xref": ["InChIKey:DXYUAIFZCFRPTH-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL8145", "category": ["biolink:ChemicalEntity"], "name": "DAIDZEIN", "xref": ["InChIKey:ZQSIJRDFPHDXIC-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12"], "synonym": ["Daidzein", "4',7-dihydroxyisoflavone", "Daidzein", "Daidzein"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL486386", "category": ["biolink:ChemicalEntity"], "name": "PUERARIN", "xref": ["InChIKey:HKEAFJYKMMKDOR-VPRICQMDSA-N", "SMILES:O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12"], "synonym": ["Daidzein 8-c-glucoside", "Kakonein", "Puerarin", "Puerarin 80 mm", "NPI 031G", "NSC-380711"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL485803", "category": ["biolink:ChemicalEntity"], "name": "CIMIPRONIDINE", "xref": ["InChIKey:VYKGYAQKCAHXKR-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCCC1CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL487192", "category": ["biolink:ChemicalEntity"], "name": "FUKINOLIC ACID", "xref": ["InChIKey:ACYXDIZTQDLTCB-UVIKLTKHSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517637", "category": ["biolink:ChemicalEntity"], "name": "CIRSIMARIN", "xref": ["InChIKey:RETJLKUBHXTIGH-FZFRBNDOSA-N", "SMILES:COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGKSVGYTWZORR-ZAQUEYBZSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)c(C)n(Cc4c(Cl)cccc4Cl)c3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc2ccccc2)cc1"]}
{"name": "Proteinase-activated receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL6041"], "id": "UniProtKB:P26824", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDZHBYRFQYVWPH-MJPWBCPGSA-N", "SMILES:Cc1c(CN2CCCC2)c2ccc(NC(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc3ccccc3)cc2n1Cc1c(Cl)cccc1Cl"]}
{"name": "Cytochrome c oxidase subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6174"], "id": "UniProtKB:P00403", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJZBBRKCZMYGE-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)NCCCCCC(=O)NCCC(=O)NC(CCCCNC(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(CC(C)C)C(=O)CN(CCCCN)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C(=O)CN(CCCCN)C(=O)CN(CC(C)C)C(=O)CNCCCCN)C(C)c1ccccc1)C(N)=O)CC(C)C)Cc1ccc2c(c1)OCO2)C(C)c1ccccc1)C(=O)CNCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKBDRRCBNTQNV-UHFFFAOYSA-N", "SMILES:C=CCN(CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)CC(C)C)C(=O)CN(CC(C)C)C(=O)CN(CCOC)C(=O)CNCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMPRVZEIRQDOA-UHFFFAOYSA-N", "SMILES:C=CCN(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)CC(C)C)C(=O)CN(CC(C)C)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CN(CCCCN)C(=O)CNCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYAHUIUQLFFXGW-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(CCCCN)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CCCCN)C(=O)CN(CC(C)C)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CNCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMOQSOXAKUCOS-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(CCCCN)C(=O)CN(CC(C)C)C(=O)CN(CCCCN)C(=O)CN(Cc1ccco1)C(=O)CN(CCCCN)C(=O)CNCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCTXVFEUODLKL-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)CC(C)C)Cc1ccc2c(c1)OCO2)C(C)c1ccccc1)C(=O)CNCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSXSDGUHOPEDJ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRGZUAUMTMLMTE-UHFFFAOYSA-N", "SMILES:N#Cc1cccc2c(Br)n[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451039", "category": ["biolink:ChemicalEntity"], "name": "RETINYLRETINOATE", "xref": ["InChIKey:QNCTWCFXYGJGKU-CHOOPKNISA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL986", "category": ["biolink:ChemicalEntity"], "name": "RETINOL", "xref": ["InChIKey:FPIPGXGPPPQFEQ-OVSJKPMPSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1"], "synonym": ["Retinol", "Retinol (vit a)", "Vitamin a", "Vitamin a", "Retinol", "Retinol", "NSC-122759", "Arovit", "Nepalm", "Retinol", "Ro-a-vit", "Vitamin a", "Vitamin a 1"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL463914", "category": ["biolink:ChemicalEntity"], "name": "MANOALIDE", "xref": ["InChIKey:FGJIDQWRRLDGDB-CPIXEKRISA-N", "SMILES:CC1=C(CC/C(C)=C/CCC2=CC[C@H](C3=CC(=O)O[C@H]3O)O[C@H]2O)C(C)(C)CCC1"], "chembl_natural_product": true}
{"name": "Phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL5710"], "id": "UniProtKB:P00593", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Diphtheria toxin", "xref": ["CHEMBL.TARGET:CHEMBL5340"], "id": "UniProtKB:Q5PY51", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1717"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1008", "category": ["biolink:ChemicalEntity"], "name": "BEPRIDIL", "xref": ["InChIKey:UIEATEWHFDRYRU-UHFFFAOYSA-N", "SMILES:CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1"], "synonym": ["Bepridil", "Bepridil", "Bepridil"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL129451", "category": ["biolink:ChemicalEntity"], "name": "(-)-CATECHINGALLATE", "xref": ["InChIKey:LSHVYAFMTMFKBA-CTNGQTDRSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSAMNVLRSHLPN-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1"]}
{"name": "Fatty acid synthase", "synonym": ["3-hydroxyacyl-[acyl-carrier-protein] dehydratase"], "xref": ["CHEMBL.TARGET:CHEMBL4512"], "id": "UniProtKB:Q965D7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXDPCRTVJVDTRN-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1Oc1ccc(Cl)c2cccnc12"]}
{"name": "Enoyl-acyl-carrier protein reductase", "xref": ["CHEMBL.TARGET:CHEMBL4150"], "id": "UniProtKB:Q965D5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRTBWRPXUZOPJH-CLKWWHDKSA-N", "SMILES:C/C(C=O)=C\\CC/C(C)=C/C=C/C(=O)NC[C@H](N)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMOFBADIAGFIF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCOC(=O)SSCCO"]}
{"name": "Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III", "xref": ["CHEMBL.TARGET:CHEMBL3640"], "id": "UniProtKB:P9WNG3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL340983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGVYAMTXQUAFY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTAMGRZITAVLJY-UHFFFAOYSA-N", "SMILES:O=C(NCC12C3C4C5C3C1C5C42)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGDXMQYYRAIRDI-UHFFFAOYSA-N", "SMILES:O=C(NCC12C3C4C5C3C1C5C42)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORZBSHJUWJDPCL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(C(=O)NCC23C4C5C6C4C2C6C53)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLWCJJJJSZDZAH-UHFFFAOYSA-N", "SMILES:O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLRZERWMEMWCKB-UHFFFAOYSA-N", "SMILES:O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPOGARJVCLOHJV-UHJYKMGSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)O"]}
{"name": "Falcipain 2", "xref": ["CHEMBL.TARGET:CHEMBL5800"], "id": "UniProtKB:Q9N6S8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUMDIBEMMXUBJ-SNQGWSHJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTGMOCFSIDYYKE-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCC#CCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJLFPSGGZFBLC-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCC#CCCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRCXSBNDNFJRV-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCC#CCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUSRJRXMLKYQTI-QQNWGBJXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457092", "category": ["biolink:ChemicalEntity"], "name": "BESTATIN METHYL ESTER", "xref": ["InChIKey:WGNKTWBIPBOGLO-ILXRZTDVSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBGCQYYFQWIRN-CWDLOFLHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCNS(=O)(=O)c1cccc2c(N=[N+]=[N-])cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAAYKJVBWZYDDJ-WYUUTHIRSA-N", "SMILES:CCCCCCSC[C@H]1O[C@H](OC)[C@@H](O)[C@@H]1O"]}
{"name": "Diacylglycerol acyltransferase/mycolyltransferase Ag85C", "xref": ["CHEMBL.TARGET:CHEMBL4624"], "id": "UniProtKB:P9WQN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVPWBJUUSVHNN-YIYPIFLZSA-N", "SMILES:CCCCCCCCSC[C@H]1O[C@@H](OC)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAAYKJVBWZYDDJ-WISYIIOYSA-N", "SMILES:CCCCCCSC[C@H]1O[C@@H](OC)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVPWBJUUSVHNN-MQYQWHSLSA-N", "SMILES:CCCCCCCCSC[C@H]1O[C@H](OC)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWVANBHPEPSMOV-LSCFUAHRSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "DNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL5733"], "id": "UniProtKB:P00970", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10665"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCADIWSEVTZZOR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJSGKYQYTWQNJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(NCc3cccs3)c3cc(Cl)ccc3n2)CC1"]}
{"name": "Histamine H4 receptor", "xref": ["CHEMBL.TARGET:CHEMBL4468"], "id": "UniProtKB:Q91ZY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508425", "category": ["biolink:ChemicalEntity"], "name": "LIPIDYL PSEUDOPTERANE A", "xref": ["InChIKey:VBMMZFOCKDLDJI-LTCBTEPNSA-N", "SMILES:C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL449388", "category": ["biolink:ChemicalEntity"], "name": "LIPIDYL PSEUDOPTERANE D", "xref": ["InChIKey:DRNIRYCLOQCNIP-NPYUZWEPSA-N", "SMILES:C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)C(OC(=O)CCCCCCCCCCCCCCC)C1"], "chembl_natural_product": true}
{"name": "Fatty-acid amide hydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL3455"], "id": "UniProtKB:O08914", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHQVIDRFGTHFA-QXMHVHEDSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC(COC)COP(C)(=O)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113262", "category": ["biolink:ChemicalEntity"], "name": "METHOXYARACHIDONOYL FLUOROPHOSPHONATE", "xref": ["InChIKey:KWKZCGMJGHHOKJ-ZKWNWVNESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCP(=O)(F)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSVYGIGWRDVQC-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1"]}
{"name": "Neutral cholesterol ester hydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL5428"], "id": "UniProtKB:Q8BLF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Monoglyceride lipase", "xref": ["CHEMBL.TARGET:CHEMBL5774"], "id": "UniProtKB:O35678", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Monoacylglycerol lipase ABHD6", "xref": ["CHEMBL.TARGET:CHEMBL5010"], "id": "UniProtKB:Q8R2Y0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Lysophosphatidylserine lipase ABHD12", "xref": ["CHEMBL.TARGET:CHEMBL5972"], "id": "UniProtKB:Q99LR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Phosphatidylserine lipase ABHD16A", "xref": ["CHEMBL.TARGET:CHEMBL5184"], "id": "UniProtKB:Q9Z1Q2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Platelet-activating factor acetylhydrolase", "xref": ["CHEMBL.TARGET:CHEMBL5383"], "id": "UniProtKB:Q60963", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Diacylglycerol lipase-beta", "xref": ["CHEMBL.TARGET:CHEMBL5521"], "id": "UniProtKB:Q8NCG7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Diacylglycerol lipase-alpha", "xref": ["CHEMBL.TARGET:CHEMBL5545"], "id": "UniProtKB:Q9Y4D2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBQZFTRIINNEEB-XMJWPLTFSA-N", "SMILES:CC1(C)CC[C@]2(CCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFEOYWFEYXSMMF-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN)cc1"]}
{"name": "Trace amine-associated receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3833"], "id": "UniProtKB:Q923Y9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMIZPFLBUWJCA-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCLVGHDXBVATF-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEPAWQLOFNBDPR-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCNCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077126", "category": ["biolink:ChemicalEntity"], "name": "YESSOTOXIN", "xref": ["InChIKey:PIVLKIITAUMIHS-HFSSXRNFSA-L", "SMILES:C=CCC(=C)/C=C/[C@@](C)(O)[C@H]1O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@@H]7O[C@@H]8C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@](C)(CCOS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])C[C@H]%11O[C@H]%10C[C@H]9O[C@H]8CC[C@@]7(C)O[C@@]6(C)CC[C@H](C)[C@H]5O[C@H]4C[C@@]3(C)O[C@H]2CC1=C.[Na+].[Na+]"]}
{"name": "Glycophorin-A", "xref": ["CHEMBL.TARGET:CHEMBL5806"], "id": "UniProtKB:P02724", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL183906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJLOFCOEOHFKQ-YVMONPNESA-N", "SMILES:O=C1NC(=O)/C(=C/c2cccc(C(F)(F)F)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDNQKYDSXEWAM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMGUGTWABODRN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)c2ccc(F)c(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWWOPDNDYQRSJ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBDGXGICLIJGD-UHFFFAOYSA-N", "SMILES:Oc1ccc(Oc2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWVUIJTHFANPZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Oc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQBGHZODMJOSJF-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDRILJFWUMKNJQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL398021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRJGNCLNUWKEFU-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38934", "category": ["biolink:ChemicalEntity"], "name": "DIPHENYLETHER", "xref": ["InChIKey:USIUVYZYUHIAEV-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRZMLVFIJAOKO-MAUKXSAKSA-N", "SMILES:CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKRUQHCKJXZSS-ZWKOTPCHSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPJFGKOZZHLXFS-ZWKOTPCHSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGISMYTICCORC-ZWKOTPCHSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1c(C)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL516507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIAUBZBIKKPZNR-ZWKOTPCHSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cc(F)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPFKCJJWVVUNI-ZWKOTPCHSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(F)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTGCAGJRXIORIR-ZWKOTPCHSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCZUZJIUZQQTDT-RBUKOAKNSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWMSZSENYHERE-RBUKOAKNSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCQYKYOUMGRPX-ZWKOTPCHSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZEJZLOEKMOQPW-ZWKOTPCHSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1SC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJSLGBMXQASRH-ZWKOTPCHSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXPOUDWMPWCQG-RBUKOAKNSA-N", "SMILES:CCc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CNC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZIFOOJYWJNSE-DLBZAZTESA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQXFWDGKPFYMCF-DLBZAZTESA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQHNJPRNTDZGGW-RRPNLBNLSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1-c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXOMHAIVSCBSY-DLBZAZTESA-N", "SMILES:Cc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXOMHAIVSCBSY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OC1c2ccccc2CC1(O)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGJPAKIMPPHUPQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OC1c2ccccc2CC1(O)CNCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHGGWRRIFBYBAE-UHFFFAOYSA-N", "SMILES:CCNCC1(O)Cc2ccccc2C1Oc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFOBTLHRUXGTFC-RBUKOAKNSA-N", "SMILES:CNC[C@]1(OC)Cc2ccccc2[C@@H]1Oc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOEFEBQWPLLQHN-UHFFFAOYSA-N", "SMILES:CNCC1(O)Cc2ccccc2C1Cc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLJNOQFNVGFMO-UHFFFAOYSA-N", "SMILES:CNCC1(O)Cc2ccccc2C1Sc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEXSVBTWQZEGZ-MSOLQXFVSA-N", "SMILES:CNC[C@@]1(O)Cc2ccccc2[C@H]1Oc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEXSVBTWQZEGZ-ZWKOTPCHSA-N", "SMILES:CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEXSVBTWQZEGZ-UHFFFAOYSA-N", "SMILES:CNCC1(O)Cc2ccccc2C1Oc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZBDBBBJXGPIH-LURJTMIESA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(N)=O"], "chembl_natural_product": true}
{"name": "Glutamyl endopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL5115"], "id": "UniProtKB:P0C1U8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGSACZLEAOUCX-NSHDSACASA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)NC(=O)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUQULNTUDILRT-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502489", "category": ["biolink:ChemicalEntity"], "name": "GARCINOL", "xref": ["InChIKey:QDKLRKZQSOQWJQ-SMDXAGPFSA-N", "SMILES:C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL500215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSFAIITVXFSDBR-HSFDOICUSA-N", "SMILES:COc1ccc(C(=O)C2=C3OC(C)(C)[C@@H](CC=C(C)C)C[C@@]34C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C4)C2=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL246811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYTHPXHGWSAKIZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2csc(NN=C3CCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2372224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVZXBQWOKWVKW-QAZMUZRASA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC1=O"]}
{"name": "Integrin alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL3525"], "id": "UniProtKB:P26006", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVOVQRPAMXCXTM-WTRHXODISA-N", "SMILES:[3H]c1ccccc1NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)oc1C"]}
{"name": "Endothelial lipase", "xref": ["CHEMBL.TARGET:CHEMBL5080"], "id": "UniProtKB:Q9Y5X9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNDDSSPRTBVFCY-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCCNCCNCCCNCCNCCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBAQTCTQXHTJG-ZETCQYMHSA-N", "SMILES:Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZURUWGFQNMFMZ-CFPLTKAMSA-N", "SMILES:NCCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGHKKZYHWPSEOO-OTTABGKNSA-N", "SMILES:CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSCOIAJLULTJQV-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXLQUCPRQKBNSP-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRVINROMIDSTSF-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446991", "category": ["biolink:ChemicalEntity"], "name": "PHOMOPSIN A", "xref": ["InChIKey:FAFRRYBYQKPKSY-AJSRVUJESA-N", "SMILES:C=C(C)[C@@H]1NC(=O)[C@@H](NC)[C@@H](O)c2cc(Cl)c(O)c(c2)O[C@](C)(CC)[C@@H](C(=O)N2CC=C[C@H]2C(=O)N/C(C(=O)N/C(=C/C(=O)O)C(=O)O)=C(\\C)CC)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL457221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDIRJFZMLIDEQX-YJYVSZKDSA-N", "SMILES:O=C(N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccccc3)[C@H]2O)[C@@H]1O)c1ccccc1"]}
{"name": "Galectin-8", "xref": ["CHEMBL.TARGET:CHEMBL5475"], "id": "UniProtKB:O00214", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL516152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCKAYEAPANSUOE-ZOGZNNMUSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489079", "category": ["biolink:ChemicalEntity"], "name": "MOFEGILINE", "xref": ["InChIKey:VXLBSYHAEKDUSU-JXMROGBWSA-N", "SMILES:NC/C(=C/F)CCc1ccc(F)cc1"], "synonym": ["Mofegiline", "Mofegilina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTPJJNNACUQQR-FQEVSTJZSA-N", "SMILES:O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL522936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTPJJNNACUQQR-HXUWFJFHSA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL502480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGBZQIJWXMOED-UMSFTDKQSA-N", "SMILES:CC(C)[C@H]1C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21"]}
{"name": "Mas-related G-protein coupled receptor member X1", "xref": ["CHEMBL.TARGET:CHEMBL5850"], "id": "UniProtKB:Q96LB2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWWIPJCECUZFY-XSUJLISDSA-N", "SMILES:NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWWIPJCECUZFY-PVTKRXDGSA-N", "SMILES:NC(=O)[C@@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWWIPJCECUZFY-CENBSLRLSA-N", "SMILES:NC(=O)[C@@H]1CS[C@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWWIPJCECUZFY-MEQWQQMJSA-N", "SMILES:NC(=O)[C@H]1CS[C@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL474041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNYOWRRXJIPCGX-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASBRBCNHGJSXLE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)Oc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTIPVWKMVGQEN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(OC(=O)NC3CCCC3)cc(-c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPVCRYUGYBZLQH-UHFFFAOYSA-N", "SMILES:O=c1c(Cc2ccc(-c3ccc(O)c(O)c3)cc2)c(-c2ccc(O)cc2)oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHKIFKPJCKJAJ-UHFFFAOYSA-N", "SMILES:O=c1c(Cc2ccc(-c3ccccc3)cc2)c(-c2ccc(O)cc2)oc2cc(O)c(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDGDNDJFJXZIW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(Cc3c(-c4ccc(O)cc4)oc4cc(O)ccc4c3=O)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZVLELTCCUPPD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1Nc1ncc(-c2cccnc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINCRSHJNMRVSX-YRNVUSSQSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(/C=C/C(=O)NO)cc2)cc1Nc1nc(-c2cccnc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTNIWJCLHLMDP-XYOKQWHBSA-N", "SMILES:O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cccs1"]}
{"name": "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2", "xref": ["CHEMBL.TARGET:CHEMBL4100"], "id": "UniProtKB:P16885", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKTXQNCGXBASBL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccc3c(c2)OCO3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTICXNZVNCHAO-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2cccc(F)c2)sc2nc(-c3ccc(F)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETRZUNCZZNDSE-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3cccs3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIVAQJNXWVEDE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C1N=CN(CCc3c[nH]c4ccccc34)C(=O)C1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSLFRJQMREURU-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Nc2nnc(-c3ccncc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL474809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNXTBYCPJUMGW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL474810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDULGJKROFOKF-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL474786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULOPTMHLYHSKIY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFPGMTGDYDCQLS-LMQQRSCXSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)C(C4(CCCC(C)(C)O)CC4)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRFMOIIMQLASH-RFTHJHCXSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)C(C4(CCC(=O)C(C)(C)O)CC4)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTODAKMABNGIJ-VWLOTQADSA-N", "SMILES:NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1"]}
{"name": "Beta-1 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL5471"], "id": "UniProtKB:B0FL73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIZBXWHVOAQQX-SDBHATRESA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUOJELSUSGGDU-IDTAVKCVSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJGDYDNVNCGBT-STHLEMNDSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCAVHDDDZIXFHB-NNBIHLJJSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNWVQQNSGCUDM-JCGITXMQSA-N", "SMILES:C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPCEENRZZBDMC-STHLEMNDSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEOCPQUDPJKEQV-NNBIHLJJSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONFNUWBHFSNBT-FQEVSTJZSA-N", "SMILES:CCN1CCN(Cc2ccc(-c3cc4c(N[C@@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYOTBSASQXSRT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3cc(OC)c(Cl)cc3OC)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRMFTAODLHSTA-UHFFFAOYSA-N", "SMILES:CN(C)CCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKIWPZCSVGPVQY-KRWDZBQOSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVOZEZXKFLOOY-HNNXBMFYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3c(Cl)ccc4c3OCO4)c2cc1NC(=O)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADPXOSJBUEVTR-UHFFFAOYSA-N", "SMILES:C[N+]1(C)C2CCC1CC(OC1c3ccccc3CCc3ccccc31)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL491861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZOFIEFQFCWGIY-UHFFFAOYSA-N", "SMILES:c1ccc(CN2C3CCC2CC(OC2c4ccccc4CCc4ccccc42)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKILIGSDAQHSL-UHFFFAOYSA-N", "SMILES:COc1cccc2c(C3=C(c4cn(C)c5cc(I)c(F)cc45)C(=O)NC3=O)coc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL315546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFJBJDODKHWED-AQTBWJFISA-N", "SMILES:O=CN1CCN(c2ccc(/C=C3\\C(=O)Nc4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNDVEAXZWJIOKB-JYRVWZFOSA-N", "SMILES:Cc1c[nH]c(/C=C2\\C(=O)Nc3ccccc32)c1CCC(=O)O"], "chembl_natural_product": true}
{"name": "Insulin receptor", "xref": ["CHEMBL.TARGET:CHEMBL3187"], "id": "UniProtKB:P15208", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514215", "category": ["biolink:ChemicalEntity"], "name": "JHU-75528", "xref": ["InChIKey:MCNQUWLLXZZZAC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFVVZIRBPHEOY-UHFFFAOYSA-N", "SMILES:Oc1cccc(CNc2ncnc3c2ncn3C2CCCCO2)c1"]}
{"name": "Histidine kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL6125"], "id": "UniProtKB:Q9C5U1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNVLWJDPBMIJCW-UHFFFAOYSA-N", "SMILES:Oc1cccc(CNc2ncnc3c2ncn3C2CCCO2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUDWTFCZGZYQHZ-UHFFFAOYSA-N", "SMILES:Oc1cccc(CNc2ncnc3nc[nH]c23)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL525239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKQTCBAMSWPJD-FARCUNLSSA-N", "SMILES:C/C(=C\\CNc1ncnc2[nH]cnc12)CO"], "chembl_natural_product": true}
{"name": "Histidine kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL6124"], "id": "UniProtKB:Q9C5U0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULXQHPLVZZOTF-LHHUKBANSA-N", "SMILES:CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCWEPYMENOIPI-AMSOURPBSA-N", "SMILES:CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCWEPYMENOIPI-ICYKMPLBSA-N", "SMILES:CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCWEPYMENOIPI-DZUOILHNSA-N", "SMILES:CCCCCCCCCCCCCC[C@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULXQHPLVZZOTF-FUWNPBJGSA-N", "SMILES:CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](CO)NC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULXQHPLVZZOTF-XAGDYJCDSA-N", "SMILES:CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYWFAIJXALUFO-GGPKGHCWSA-N", "SMILES:CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](CO)NC(=O)CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34241", "category": ["biolink:ChemicalEntity"], "name": "ROTTLERIN", "xref": ["InChIKey:DEZFNHCVIZBHBI-ZHACJKMWSA-N", "SMILES:CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c1O"], "chembl_natural_product": true}
{"name": "AmpC", "xref": ["CHEMBL.TARGET:CHEMBL1255151"], "id": "UniProtKB:Q83TT7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12998", "category": ["biolink:ChemicalEntity"], "name": "L-755507", "xref": ["InChIKey:NYYJKMXNVNFOFQ-MHZLTWQESA-N", "SMILES:CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429694", "category": ["biolink:ChemicalEntity"], "name": "CONGO RED", "xref": ["InChIKey:IQFVPQOLBLOTPF-HKXUKFGYSA-L", "SMILES:Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+]"], "synonym": ["Congo red", "C.i. direct red 28", "Congazone sodium", "Congo red", "NSC-56651", "NSC-7232", "NSC-75913", "Congo red"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471028", "category": ["biolink:ChemicalEntity"], "name": "ERIOCHROME BLUE BLACK B", "xref": ["InChIKey:HOWITLLZNKSJOJ-QUABFQRHSA-M", "SMILES:O=S(=O)([O-])c1cc(O)c(/N=N/c2ccc3ccccc3c2O)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1484", "category": ["biolink:ChemicalEntity"], "name": "NICARDIPINE", "xref": ["InChIKey:ZBBHBTPTTSWHBA-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1"], "synonym": ["Nicardipine", "Nicardipine", "Nicardipine", "Nicardipino", "Nicardipine", "Nicardipine", "Nicardipine (stn)", "Perpidine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL584", "category": ["biolink:ChemicalEntity"], "name": "NELFINAVIR", "xref": ["InChIKey:QAGYKUNXZHXKMR-HKWSIXNMSA-N", "SMILES:Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C"], "synonym": ["Nelfinavir", "Nelfinavir", "Nelfinavir", "Nelfinavir", "Nelfinavir", "NSC-747167"], "chembl_availability_type": "prescription only"}
{"name": "Protein Wnt-3a", "xref": ["CHEMBL.TARGET:CHEMBL5617"], "id": "UniProtKB:P27467", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYNVFMBRBZMBCK-UHFFFAOYSA-N", "SMILES:CCc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1"], "synonym": ["BAS-8770938"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMXOCHBBGUIBEI-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O"], "synonym": ["BAS-8770949"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVXQSBCYYKLHY-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1cccc(O)c1"], "synonym": ["BAS-8770957"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABCNWUERFEOEW-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(O)cc1"], "synonym": ["BAS-8770954"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYRSJZZCKXOVET-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1"], "synonym": ["BAS-8770951"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYWFTNOOUZJXNY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1"], "synonym": ["BAS 8770945"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL515495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHSAMILDQDWAIE-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269671", "category": ["biolink:ChemicalEntity"], "name": "ARTEMISININ", "xref": ["InChIKey:BLUAFEHZUWYNDE-NNWCWBAJSA-N", "SMILES:C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4"], "synonym": ["Artemisinin", "Artemisinin", "Artemisinine", "Artemisinina", "(+)-artemisinin", "Artemisinin", "Artemisininum", "Huanghuahaosu", "Qing hau sau", "GNF-PF-5341", "NSC-369397", "Artemisinin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL523599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZMCBLMXTZPNTB-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)CCCNC2CCC3(CC2)OOC2CCC(C(C)C)=CC2O3)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHOQQEYWTRNHBM-UHFFFAOYSA-N", "SMILES:CC(C)C1=CC2OC3(CCC(NCCNc4ccnc5cc(Cl)ccc45)CC3)OOC2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDASFGJHWAFFE-UHFFFAOYSA-N", "SMILES:NCCNc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFBRRLPJNPKOEJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CN3CCC(CO)CC3)cc3cc4c(cc3c2c1)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDAAJLXLBIPGC-DGYCAGFBSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CCCC(=O)O1"]}
{"name": "17-beta-hydroxysteroid dehydrogenase type 2", "xref": ["CHEMBL.TARGET:CHEMBL2789"], "id": "UniProtKB:P37059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZGTKALGZTMQB-YFOKEIKWSA-N", "SMILES:CC1CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTBFDAJNODVUMF-VOTSOKGWSA-N", "SMILES:CN1CCCN(c2cncc(-c3cccc(/C=C/C(=O)O)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464859", "category": ["biolink:ChemicalEntity"], "name": "NECA", "xref": ["InChIKey:JADDQZYHOWSFJD-FLNNQWSLSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL494408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIXQDHACOHGLCV-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)CC(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFCVRSCIFSRKJ-QHCPKHFHSA-N", "SMILES:FC(F)(F)c1ccccc1-c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFFUTQAERXNNF-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCC(Oc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBIBOTLHEUNLPV-AVGNSLFASA-N", "SMILES:C=CS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)N[C@H]1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMXVYSWHFJHJZ-AVGNSLFASA-N", "SMILES:C=CS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)N[C@H]1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPNBGWHCIIJEZ-AVGNSLFASA-N", "SMILES:C=CS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)N[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKJKVMACAESPP-NRFANRHFSA-N", "SMILES:CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL453384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGGBPZMSDNNFA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL132722", "category": ["biolink:ChemicalEntity"], "name": "DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER", "xref": ["InChIKey:CAWZRIXWFRFUQB-IOSLPCCCSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL563362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMTKDBGAITUVJV-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2ncn(CCCCOP(=O)(O)OP(=O)(O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKNMQNPJNEYJB-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2ncn(CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMECQUPNLSZXFS-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc(N)c2ncn(CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYOOKWZMXIATB-UHFFFAOYSA-N", "SMILES:Nc1nc(I)nc2c1ncn2CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTKZAYSKYVOAKS-UHFFFAOYSA-N", "SMILES:Nc1nc(OCCc2ccccc2)nc2c1ncn2CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHAOVLCDTJYIKK-UHFFFAOYSA-N", "SMILES:Nc1nc(OCCc2ccccc2)nc2c1ncn2CCCCOP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSKRHFFCKVOAH-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2CCCCOP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOSYVNGIDDVHX-UHFFFAOYSA-M", "SMILES:COC1=C(OC)c2c[n+]3c(c(OCc4ccccc4-c4cc5cc([N+](=O)[O-])ccc5[nH]4)c2CC1)-c1cc2c(cc1CC3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNLXOJNTYNRDG-UHFFFAOYSA-M", "SMILES:COc1ccc2c(Cc3ccccc3-c3cc4cc([N+](=O)[O-])ccc4[nH]3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBBBMMYVACZXLQ-RFLHHMENSA-N", "SMILES:CCCC(C(=O)c1ccc(N=[N+]=[N-])c([125I])c1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYRUZWYDPUSOV-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1ccc(C#Cc2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550011", "category": ["biolink:ChemicalEntity"], "name": "CHLORPYRAMIN HYDROCHLORIDE", "xref": ["InChIKey:VEYWWAGBHABATA-UHFFFAOYSA-N", "SMILES:CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBBDQHCBCHAJK-XQAQDONZSA-N", "SMILES:C=CCCC(=O)O[C@H](C)[C@H]1C(=O)N(C(=O)CCC=C)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMAJWNARJAISH-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCWPCLQCFAVCZ-ZKWNWVNESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQPSGXQTYVNZTF-NQLNTKRDSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKSMDSAHHJEBL-ZKWNWVNESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAEGZFHEJKNYKH-NQLNTKRDSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIOMOPPOTQCWCZ-ZKWNWVNESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIISCCNVUJLJPM-NQLNTKRDSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCQZBRRBHNANR-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGQEULGVBEMAL-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccc(O)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLOLMJSVXGPGC-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1ccc(-c2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXNPBRHKCIZIAB-ZUVMSYQZSA-N", "SMILES:COc1ccc(-c2ccc(/C=C/C=C/C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKTDNDPZXGIREF-REZHQCRGSA-N", "SMILES:O=C(/C=C/C=C/c1ccc(-c2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGBQXLCZJOPPV-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccc(O)c(Cl)c2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMFSJDSXLQGUDW-LFYBBSHMSA-N", "SMILES:CN(C)c1ccc(-c2ccc(/C=C/C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAERDJLAFVBYLK-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccc(-c2cccs2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQPXLKFQLGQSM-NYYWCZLTSA-N", "SMILES:COc1ccc(-c2ccc(/C=C/C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJUOLWKIAIFTKT-BJMVGYQFSA-N", "SMILES:N#Cc1ccc(-c2ccc(/C=C/C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBZPSEMNRBQROD-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZNAPXOKXVDAC-BJMVGYQFSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccc(CO)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAVCWBNKXZAMDE-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2ccc(O)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSNUNIQSKOBFH-HWKANZROSA-N", "SMILES:Cc1cc(O)c(C23CC4CC(CC(C4)C2)C3)cc1-c1ccc(/C=C/C(=O)O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVDNFTXROHQVTA-GQCTYLIASA-N", "SMILES:COCCOCOc1cc(C)c(-c2ccc(/C=C/C(=O)O)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTQRCNNQKSSSCI-UHFFFAOYSA-N", "SMILES:COCCOCOc1cc(C)c(-c2ccc3cc(C(=O)O)ccc3c2Cl)cc1C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBFHIYGUZDEQB-UHFFFAOYSA-N", "SMILES:COCCOCOc1cc(C)c(-c2ccc(CC(=O)O)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYJWWZJGZQJQV-UHFFFAOYSA-N", "SMILES:COc1cc2c(C#N)c(N3CCN(c4ccccc4OC)CC3)nc(N)c2c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSICPYQETVXLMG-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXPOFVTTBGHSC-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJXAWVNCAMOFX-UHFFFAOYSA-N", "SMILES:CC(OC(=O)c1ccc2ccccc2c1O)C(=O)Nc1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUQWCANQHRRQKR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEFBCZWQLILOJF-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCAAAJXHAOSPEN-KRWDZBQOSA-N", "SMILES:COc1cc(CCNC(=O)[C@@H](C)c2cccc(Oc3ccccc3)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPUSTGGGFVVSSS-KRWDZBQOSA-N", "SMILES:COc1ccc(CCNC(=O)[C@@H](C)c2cccc(Oc3ccccc3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUCRVEZRJNONRI-SFHVURJKSA-N", "SMILES:C[C@H](C(=O)NCCc1ccccc1)c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XALQWVGNFVHSCH-KRWDZBQOSA-N", "SMILES:C[C@H](C(=O)NCCc1ccc(Cl)cc1)c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUGGGTWRYDDQV-SFHVURJKSA-N", "SMILES:COc1ccccc1CCNC(=O)[C@@H](C)c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTIYGBWNMHTWTQ-SFHVURJKSA-N", "SMILES:COc1cccc(CCNC(=O)[C@@H](C)c2cccc(Oc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISIWMQPMPXHJK-SFHVURJKSA-N", "SMILES:COc1ccc(CCNC(=O)[C@@H](C)c2cccc(Oc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZTTYSBPBBIMY-KRWDZBQOSA-N", "SMILES:C[C@H](C(=O)NCCc1ccccc1O)c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQPAYMPOFGICH-HNNXBMFYSA-N", "SMILES:COc1ccc2cc([C@H](C)C(=O)NCCc3ccc(O)cc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWWJJYAVDPTMJ-KRWDZBQOSA-N", "SMILES:C[C@H](C(=O)NCCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODQOIMQZSTVFS-INIZCTEOSA-N", "SMILES:C[C@H](C(=O)NCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIPRMWSXRLOJJN-HNNXBMFYSA-N", "SMILES:C[C@H](C(=O)Nc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGYXVLZNHMYPI-MRXNPFEDSA-N", "SMILES:C[C@H](CNC(=O)c1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBNQIERJNJPNRD-GOSISDBHSA-N", "SMILES:C[C@H](CNC(=O)CCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXDOSFXZPGXSNT-QGZVFWFLSA-N", "SMILES:COc1ccc(C(=O)NC[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCUUVRJFDLHFX-MRXNPFEDSA-N", "SMILES:C[C@H](CNC(=O)Nc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMHWVPMNQYVJE-GOSISDBHSA-N", "SMILES:C[C@H](CNC(=O)NCCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNTQADISIJSUNZ-MRXNPFEDSA-N", "SMILES:C[C@H](COC(=O)Nc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFUXOSCHDPYQS-GOSISDBHSA-N", "SMILES:C[C@H](COC(=O)NCCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHIXPKFVULGHX-FQEVSTJZSA-N", "SMILES:CCCN(CCc1ccc(O)cc1)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJOALBRQDJBJHR-FQEVSTJZSA-N", "SMILES:COCCN(CCc1ccc(O)cc1)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCGSVKRGOJGBT-QHCPKHFHSA-N", "SMILES:C[C@H](C(=O)N(CCc1ccc(O)cc1)CCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDJTDWRBBLISL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)NCCc1ccc(O)cc1)cn2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORGBWPZDHQNBM-UHFFFAOYSA-N", "SMILES:O=C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NCCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGXPXERSQBZILH-UHFFFAOYSA-N", "SMILES:Cc1cc2c(CCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCc3ccccc3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCRELKOBVTFII-UHFFFAOYSA-N", "SMILES:Cc1cc2c(Cc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(Cc3ccccc3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXAMRRJQGXUQGR-UHFFFAOYSA-N", "SMILES:Cc1cc2c(CCC(C)C)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCC(C)C)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMDLVJGXXIWDCC-UHFFFAOYSA-N", "SMILES:Cc1cc2c(CC3CCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CC3CCCC3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVXISIPNZRTQQ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(CC(C)C)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CC(C)C)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAKXRXKRYIIMLP-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NCCc3ccc(Cl)cc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccc(Cl)cc3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYKAYCYVRWTIHM-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAYNZUHYMMLQQA-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZSWLOZYXMVNST-UHFFFAOYSA-N", "SMILES:CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(-c4c(C)cc5c(C(=O)NCCc6ccc(CC)cc6)c(O)c(O)cc5c4O)c(C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL553474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGGNSWNSSLDSL-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYSBITRFDVFZCB-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(-c4c(C)cc5c(C(=O)NCCc6cccc(C)c6)c(O)c(O)cc5c4O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDOVKIBOJKBRO-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQWENIODLCZHS-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYWYFXSOSDJJW-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NCC3CC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CC3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXWVWQUYKMTOZ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBEVOAVIETWZMX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2c(O)c(O)cc3c(O)c(-c4c(C)cc5c(C(=O)NCc6c(C)cc(C)cc6C)c(O)c(O)cc5c4O)c(C)cc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLOQFUZHMIVWAX-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NCc3cccc(Cl)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCc3cccc(Cl)c3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTGGEFGDUVQND-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)c2c(O)c(O)cc3c(O)c(-c4c(C)cc5c(C(=O)NCc6cccc(C)c6)c(O)c(O)cc5c4O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZSUDCMNBZRLAQ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCc3ccccc3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWWQZVHXJFDNA-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)c1c(O)c(O)cc2c(O)c(-c3c(C)cc4c(C(=O)NC(CC)c5ccccc5)c(O)c(O)cc4c3O)c(C)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFJMCCWNOCBNNH-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)Nc3cccc(C(F)(F)F)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)Nc3cccc(C(F)(F)F)c3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRGGPIDCQSZDD-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)c2c(O)c(O)cc3c(O)c(-c4c(C)cc5c(C(=O)Nc6ccc(CC)cc6)c(O)c(O)cc5c4O)c(C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBXYGUIXITJRU-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYRYRFKNKMXMG-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NC3CCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3CCCC3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTZSPJKQPCTXLH-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)Nc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)Nc3ccccc3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551288", "category": ["biolink:ChemicalEntity"], "name": "APOGOSSYPOL", "xref": ["InChIKey:PBJKWGWHZVXBGU-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(C)C)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51483", "category": ["biolink:ChemicalEntity"], "name": "GOSSYPOL", "xref": ["InChIKey:QBKSWRVVCFFDOT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O"], "synonym": ["Gossypol", "(-)-gossypol", "Gossypol", "No fertil", "Pogosin", "Tash 1", "BL-193", "NSC-56817", "NSC-624336"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL562352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMOJUUCPXEEQL-CSKARUKUSA-N", "SMILES:O=C1CCC/C1=C\\c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLVREJGNDMVEPU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)c3nnc(-c4ccccc4N)o3)n[nH]2)cc1"]}
{"name": "Cruzipain", "xref": ["CHEMBL.TARGET:CHEMBL3563"], "id": "UniProtKB:P25779", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5693"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZAATYLDAIHIC-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1nnc(C(=O)Nc2cccc(N3CCCC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPMBCXBWPDXHG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1nnc(C(=O)Nc2cc(-c3cccs3)[nH]n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMVSLWCLCVAZAN-UHFFFAOYSA-N", "SMILES:Nc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDSLAMOBGFRQC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CN3CCC(=O)CC3)cc3cc4c(cc3c2c1)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHLKOUEUHFPGE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CN3CCC(O)CC3)cc3cc4c(cc3c2c1)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWHRJZTBKMSSX-HNNXBMFYSA-N", "SMILES:COc1ccc2c(CN3CCC[C@H](CO)C3)cc3cc4c(cc3c2c1)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWHRJZTBKMSSX-OAHLLOKOSA-N", "SMILES:COc1ccc2c(CN3CCC[C@@H](CO)C3)cc3cc4c(cc3c2c1)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521373", "category": ["biolink:ChemicalEntity"], "name": "SERGEOLIDE", "xref": ["InChIKey:ZZKFDOQILIXHHH-UAXMYPJESA-N", "SMILES:COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C=C5OC(=O)C=C5[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(C)=O)[C@@H]24"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL519243", "category": ["biolink:ChemicalEntity"], "name": "HOLACANTHONE", "xref": ["InChIKey:OFHVBIQKCNMHKC-ISEFROCLSA-N", "SMILES:CC(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3[C@]4(O)OC[C@]32[C@@H]1[C@@H](C)[C@H]4O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL509895", "category": ["biolink:ChemicalEntity"], "name": "BRUCEANTIN", "xref": ["InChIKey:IRQXZTBHNKVIRL-GOTQHHPNSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\\C)C(C)C)[C@@H]24"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL558152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULBXOABLNFKRW-BFEOVVSESA-N", "SMILES:C=C1[C@@H](O)[C@@]2(O)OC[C@@]34[C@H]1[C@@H](OC(=O)C/C=C/CCCCCCCC)C(=O)O[C@@H]3C[C@H]1C(C)=CC(=O)[C@@H](O)[C@]1(C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHYBVLUUZDLXRW-LRWLOIOESA-N", "SMILES:CC(C)=CC(=O)O[C@@H]1[C@H]2C(C)=C[C@H](O)[C@@H](O)[C@]2(C)[C@H]2[C@]3(O)OC[C@@]24[C@@H]1OC(=O)C[C@H]4[C@@H](C)[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458347", "category": ["biolink:ChemicalEntity"], "name": "GLAUCARUBINONE", "xref": ["InChIKey:WRBGCYVAJRRQKP-STDAJNJZSA-N", "SMILES:CC[C@](C)(O)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3[C@@]4(O)OC[C@]32[C@@H]1[C@@H](C)[C@H]4O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL487194", "category": ["biolink:ChemicalEntity"], "name": "AILANTHINONE", "xref": ["InChIKey:GCIFFNDSOLTCAI-ZTCIHUKBSA-N", "SMILES:CCC(C)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3[C@]4(O)OC[C@]32[C@@H]1[C@@H](C)[C@H]4O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL435295", "category": ["biolink:ChemicalEntity"], "name": "CALOTHRIXIN A", "xref": ["InChIKey:CMDAFIAGTOCRGL-UHFFFAOYSA-N", "SMILES:O=C1c2c[n+]([O-])c3ccccc3c2C(=O)c2[nH]c3ccccc3c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL549880", "category": ["biolink:ChemicalEntity"], "name": "O-METHYLCALOTHRIXIN A", "xref": ["InChIKey:LCAROBGLPAHDHT-UHFFFAOYSA-O", "SMILES:CO[n+]1cc2c(c3ccccc31)C(=O)c1[nH]c3ccccc3c1C2=O.F[B-](F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560303", "category": ["biolink:ChemicalEntity"], "name": "N-METHYLCALOTHRIXIN B", "xref": ["InChIKey:NJAQPQNEIVRGSM-UHFFFAOYSA-N", "SMILES:C[n+]1cc2c(c3ccccc31)C(=O)c1[nH]c3ccccc3c1C2=O.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL362573", "category": ["biolink:ChemicalEntity"], "name": "CALOTHRIXIN B", "xref": ["InChIKey:CCPDIHKLISWESE-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]c3ccccc3c2C(=O)c2cnc3ccccc3c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL205596", "category": ["biolink:ChemicalEntity"], "name": "CHOLIC ACID", "xref": ["InChIKey:BHQCQFFYRZLCQQ-OELDTZBJSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "synonym": ["Cholic acid", "Cholic acid", "Cholic acid", "E1000", "Cholic acid", "Cholic acid", "Cholalic acid", "Cholic acid", "NSC-6135", "Cholbam", "Kolbam", "Orphacol", "Cholic acid", "Cholic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL412272", "category": ["biolink:ChemicalEntity"], "name": "TAURODEOXYCHOLIC ACID", "xref": ["InChIKey:AWDRATDZQPNJFN-VAYUFCLWSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "synonym": ["Deoxy cholate", "Deoxycholyltaurine", "Hy209", "Taurodeoxycholic acid", "Taurodesoxycholic acid", "Tudcabil", "HY-209", "HY209", "J339.140J"], "chembl_natural_product": true}
{"name": "Bile salt export pump", "xref": ["CHEMBL.TARGET:CHEMBL6020"], "id": "UniProtKB:O95342", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFTUIURWQWFKQ-QIAGQCQHSA-N", "SMILES:CCCCC/C=C(\\C/C=C\\CCCCCCCC(=O)O)[N+](=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL549351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCOAELZDXRYQHF-SAPNQHFASA-N", "SMILES:CCCCC/C=C(\\CCCCCCCCCCC(=O)O)[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563557", "category": ["biolink:ChemicalEntity"], "name": "BREVIANAMIDE F", "xref": ["InChIKey:RYFZBPVMVYTEKZ-KBPBESRZSA-N", "SMILES:O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12"], "chembl_natural_product": true}
{"name": "Tryprostatin B synthase ftmPT1", "xref": ["CHEMBL.TARGET:CHEMBL5635"], "id": "UniProtKB:Q4WAW7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:330879"]}
{"id": "CHEMBL.COMPOUND:CHEMBL553655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABWJEMMIDGNDC-OFMOJSQQSA-N", "SMILES:CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWXTIRTVJJPDT-QOCTXULSSA-N", "SMILES:CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL553656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUTWRILASMBKB-HNIQDONKSA-N", "SMILES:CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2021559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUJGVKJPCLCCKD-SHJPJZKHSA-N", "SMILES:CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL174206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSYGYSLWIQMRP-XGTQXBEESA-N", "SMILES:CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGIKHPFMXOGRF-RABWJYHCSA-N", "SMILES:CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REBBIMYHUBYOBS-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2ccccc2)cc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDZMRYFYFIQSFZ-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2ccccc2F)cc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPZSHLBDZYXRMN-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2cccc(F)c2)cc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVWNHOGZGKJOCZ-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2ccccc2Cl)cc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPLCYUODHCAGPW-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2cccc(Cl)c2)cc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDJWWIWFNZKBTC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL553449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCILVOURWDGPPK-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEJHXLDDDJLAG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRSOCIMNLONDQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFRHZCQZSUBSEY-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENBHTCDSUCPSQ-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBSZQMNYVYEJE-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2cccnc2)cc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXGXZJPDNLULM-UHFFFAOYSA-N", "SMILES:Nc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNNAJXPKIBKJNB-UHFFFAOYSA-N", "SMILES:COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551842", "category": ["biolink:ChemicalEntity"], "name": "LOBARIC ACID", "xref": ["InChIKey:JHEWMLHQNRHTQX-UHFFFAOYSA-N", "SMILES:CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL550291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIFVKFNQJLVAOD-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)OC2(CCCC)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL561976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMUNWGDQGOJGOE-IXPVHAAZSA-N", "SMILES:O[C@@H]1[C@H](O)CO[C@H]1n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSNVOJDRFBDECY-CJMCYECYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)[C@@H](C)CC)C(C)C)C(C)C"]}
{"name": "Virulence sensor histidine kinase PhoQ", "xref": ["CHEMBL.TARGET:CHEMBL6096"], "id": "UniProtKB:P0DM80", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:99287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULUCZNUUUYEMTH-XWTRIGCWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(N)=O)C(C)C)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUFWZUKCXNFLJ-PFMJJPHGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZCGUFUTWDWPDP-CJMCYECYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZNRIRXODBQRN-GOTSBHOMSA-N", "SMILES:CCOCCCN(C(C)=O)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1"]}
{"name": "Hsp70 nucleotide exchange factor FES1", "xref": ["CHEMBL.TARGET:CHEMBL6102"], "id": "UniProtKB:P38260", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434", "category": ["biolink:ChemicalEntity"], "name": "ISOPROTERENOL", "xref": ["InChIKey:JWZZKOKVBUJMES-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1ccc(O)c(O)c1"], "synonym": ["Isoprenaline", "Isoprenaline", "Isoprenalina", "Isoproterenol", "Isoproterenol dl-form", "Aleudrin", "Aludrine", "Asiprenol", "Asmalar", "Assiprenol", "Bellasthman", "Isonorin", "Isoprenaline", "Isopropydrin", "Isoproterenol", "Isorenin", "Isupren", "Neo-epinine", "Neodrenal", "Novodrin", "Proternol", "Respifral", "Saventrine", "Vapo-n-iso", "A-21", "NSC-33791", "NSC-9975"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL564209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIZPPJLBOLIRV-MRXNPFEDSA-N", "SMILES:COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(O[C@@H]4CCOC4)c2)CS3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQUIEUONYYTHEW-QGZVFWFLSA-N", "SMILES:COc1ccc(OC)c(-c2nnc3ccc(-c4ccc(OC)c(O[C@@H]5CCOC5)c4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOGNUJDBYKOFKR-KCHLEUMXSA-N", "SMILES:C#CCCCC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C=O"]}
{"name": "Prolyl endopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL3202"], "id": "UniProtKB:P48147", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWTFOTFQJMCLNW-ZDCRTTOTSA-N", "SMILES:C#CCCCC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)NCCCCCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVBGQJRVSIMNMD-FSEITFBQSA-N", "SMILES:C#CCCCC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)NCCOCCOCCOCCOCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWAIHACGFGXIS-KGVSQERTSA-N", "SMILES:O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Nc2ccnc3ccc4[nH]ccc4c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCRPUQPHZRZNF-LLVKDONJSA-N", "SMILES:CC(C)(C)NC[C@@H](O)c1ccc(OB(O)O)c(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKMLYNSXMKICC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CNN3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEIAMKWXBDGPKE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNC(=O)Oc1ccc(-c2csnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKWNJGDENHFTMA-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(CN(CC(=O)O)C(=O)C(=O)O)c1"]}
{"name": "Lysine-specific demethylase 4D", "xref": ["CHEMBL.TARGET:CHEMBL6138"], "id": "UniProtKB:Q6B0I6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90852", "category": ["biolink:ChemicalEntity"], "name": "N-OXALYLGLYCINE ", "xref": ["InChIKey:BIMZLRFONYSTPT-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKCDQFEAKSTPU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CN(CC(=O)O)C(=O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJTLDMXZVXJUBS-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CCN(CC(=O)O)C(=O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSKYSMTUTQAQFV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CCCN(CC(=O)O)C(=O)C(=O)O)cc1"]}
{"name": "Lysine-specific demethylase 4C", "xref": ["CHEMBL.TARGET:CHEMBL6175"], "id": "UniProtKB:Q9H3R0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJOZDZCRHCODO-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXNDPWBGLDZZSF-UHFFFAOYSA-N", "SMILES:COC(=O)CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATQHHUOBPYUKD-FFSUGBGASA-N", "SMILES:CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)C(c1ccc(F)c(F)c1)N1CCN([35S](C)(=O)=O)CC1=O"]}
{"name": "Melanin-concentrating hormone receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4730"], "id": "UniProtKB:Q8JZL2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEGPFJOMJNNNAL-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc2nonc12)n1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKHWCXMRSXBCY-LVZGIILASA-N", "SMILES:C[N+](C)(C)CC(O)CN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQVXDDQGZJTHQ-UHFFFAOYSA-N", "SMILES:Cc1c(CC2CCN(C(=O)Nc3cccnc3)CC2)sc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTDGRHUBNWUFO-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2CCN(Cc3sc4ccccc4c3C)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNLIJJXFRRERH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)N2CCN(Cc3sc4ccccc4c3C)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75680", "category": ["biolink:ChemicalEntity"], "name": "ALOISINE A", "xref": ["InChIKey:PRIGRJPRGZCFAS-UHFFFAOYSA-N", "SMILES:CCCCc1c(-c2ccc(O)cc2)[nH]c2nccnc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504510", "category": ["biolink:ChemicalEntity"], "name": "RESVERATROL HEXANOIC ACID", "xref": ["InChIKey:SPYSFHZNMKLDCK-AATRIKPKSA-N", "SMILES:O=C(O)CCCCCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1"]}
{"name": "Secreted aspartic protease 3", "xref": ["CHEMBL.TARGET:CHEMBL5644"], "id": "UniProtKB:P0CY28", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"name": "Secreted aspartic protease 2", "xref": ["CHEMBL.TARGET:CHEMBL6021"], "id": "UniProtKB:P0CS83", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"name": "Secreted aspartic protease 1", "xref": ["CHEMBL.TARGET:CHEMBL6022"], "id": "UniProtKB:P0CY26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"id": "CHEMBL.COMPOUND:CHEMBL296588", "category": ["biolink:ChemicalEntity"], "name": "PEPSTATIN", "xref": ["InChIKey:FAXGPCHRFPCXOO-LXTPJMTPSA-N", "SMILES:CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C"], "synonym": ["Pepstatin", "Pepstatine", "Pepstatina", "Pepstatin a", "NSC-272671", "Pepstatin"], "chembl_natural_product": true}
{"name": "Secreted aspartic protease 9", "xref": ["CHEMBL.TARGET:CHEMBL6139"], "id": "UniProtKB:O42779", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"name": "Secreted aspartic protease 8", "xref": ["CHEMBL.TARGET:CHEMBL6050"], "id": "UniProtKB:O42778", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"name": "Secreted aspartic protease 6", "xref": ["CHEMBL.TARGET:CHEMBL6178"], "id": "UniProtKB:P43095", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"name": "Secreted aspartic protease 5", "xref": ["CHEMBL.TARGET:CHEMBL6019"], "id": "UniProtKB:P43094", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"name": "Candidapepsin-4", "xref": ["CHEMBL.TARGET:CHEMBL6179"], "id": "UniProtKB:P43093", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:294748"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJNQTDEEXCGSA-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3cn(CCCN4CCOCC4)c4ccccc34)C(=O)NC2=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAHJVVBFOFEHSE-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(n2ccc3ncccc32)=C1c1cn(CCCn2ccnc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJRMGLJQJOXSDU-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5cc(=O)c6cc(C)ccc6o5)cc4)cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCRYSQMVLUNBE-UHFFFAOYSA-N", "SMILES:CCc1ccc2oc(-c3ccc(OCCOCCOCCOCCOc4ccc(-c5cc(=O)c6cc(CC)ccc6o5)cc4)cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJRBVSAXFNEBR-UHFFFAOYSA-N", "SMILES:CCc1ccc2oc(-c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5cc(=O)c6cc(CC)ccc6o5)cc4)cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKAWEPRIKSQVQJ-UHFFFAOYSA-N", "SMILES:CCc1ccc2oc(-c3ccc(OCCOCCOCCOCCOCCOCCOc4ccc(-c5cc(=O)c6cc(CC)ccc6o5)cc4)cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWECLCSATSJKOO-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3ccc(OCCOCCOCCOCCOc4ccc(-c5cc(=O)c6cc(C)ccc6o5)cc4)cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMNWCBSVBDWJU-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3ccc(OCCOCCOCCOCCOCCOCCOc4ccc(-c5cc(=O)c6cc(C)ccc6o5)cc4)cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEOJDTIUBYMJDK-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)cc(-c3ccc(OCCOCCOCCOCCOc4ccc(-c5cc(=O)c6ccc(C)cc6o5)cc4)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTNNRNLONUGGQI-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)cc(-c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5cc(=O)c6ccc(C)cc6o5)cc4)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTVBFDOTWMKPQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)cc(-c3ccc(OCCOCCOCCOCCOCCOCCOc4ccc(-c5cc(=O)c6ccc(C)cc6o5)cc4)cc3)oc2c1"]}
{"name": "Envelope glycoprotein gp160", "xref": ["CHEMBL.TARGET:CHEMBL6181"], "id": "UniProtKB:Q72502", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFHVJDEJAABHB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3c(sc2c1)c1cc(OC)ccc1n3CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGMQLYSSHIKFHE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3c(sc2c1)c1ccccc1n3CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBZGNQQEWRGDH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3[nH]c4ccccc4c3sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUMKAGBUDVYFSD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2c2sc3cc(OC)ccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFJBZDPJOGOEFW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3c(sc2c1)c1ccccc1n3CCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWGQRTOFUZYAPR-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCn1c2ccccc2c2sc3cc(OC)ccc3c(=O)c21"]}
{"name": "Topoisomerase I", "xref": ["CHEMBL.TARGET:CHEMBL6023"], "id": "UniProtKB:Q2HPH0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGKBFZBORQFPGT-OUUBHVDSSA-N", "SMILES:OC[C@H]1O[C@@H](N(Cc2ccc(O)c(O)c2)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33103", "category": ["biolink:ChemicalEntity"], "name": "ACETYLSEROTONIN", "xref": ["InChIKey:MVAWJSIDNICKHF-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1c[nH]c2ccc(O)cc12"], "chembl_natural_product": true}
{"name": "Tyrosinase", "xref": ["CHEMBL.TARGET:CHEMBL5346"], "id": "UniProtKB:P11344", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXOUMFOWTCPDTM-FWDQWPAOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c1ccccc1)C(N)=O"]}
{"name": "Glutathione S-transferase A1", "xref": ["CHEMBL.TARGET:CHEMBL3409"], "id": "UniProtKB:P08263", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCHSLFBXKEEMU-DNIALAAWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODRJRZHXTWMNB-XCYGWCKFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAXSSFMRPJCNO-UHFFFAOYSA-N", "SMILES:COc1cc2oc(C)c(C(=O)O)c2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAYEVKEZYGYNN-UHFFFAOYSA-N", "SMILES:COc1cc2oc(C)c(C(=O)O)c2cc1OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFCXURJRIULEB-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)O)c(C)oc2cc1OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVQJZMQZCFUMFO-UHFFFAOYSA-N", "SMILES:Cc1oc2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc2c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBLWERUQSRRTSQ-UHFFFAOYSA-M", "SMILES:COc1cc2oc(C)c(CCC(=O)[O-])c2cc1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTTVYDJOBXTIKG-UHFFFAOYSA-M", "SMILES:COc1cc2oc(C)c(CCC(=O)[O-])c2cc1OS(=O)(=O)O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL553240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZHSKDIAYOBKX-UHFFFAOYSA-N", "SMILES:Cc1oc2cc(O)c(O)cc2c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL247378", "category": ["biolink:ChemicalEntity"], "name": "7-NITROINDAZOLE", "xref": ["InChIKey:PQCAUHUKTBHUSA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc2cn[nH]c12"], "chembl_natural_product": true}
{"name": "Nitric oxide synthase, inducible", "xref": ["CHEMBL.TARGET:CHEMBL3464"], "id": "UniProtKB:P29477", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIGYMMXJSARELS-UHFFFAOYSA-N", "SMILES:CC1=CC2=NCC(C(=O)c3ccc(-c4ccc(Br)cc4)cc3)CN2C=C1.[O-][Cl+3]([O-])([O-])O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESYKGZYBOUFOV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)C3CN=C4C=C(C)C=CN4C3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUJFUEIRBPYIEN-UHFFFAOYSA-N", "SMILES:CC1=CC2=NCC(C(=O)c3ccc(-c4ccc(C#N)cc4)cc3)CN2C=C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDVBWLBMITMCA-UHFFFAOYSA-N", "SMILES:CC1=CC2=NCC(C(=O)c3ccc4cc(C)ccc4c3)CN2C(C)=C1.[O-][Cl+3]([O-])([O-])O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCPRFZFDBGJCC-UHFFFAOYSA-N", "SMILES:CC1=CC2=NCC(C(=O)c3ccc4cc(C)ccc4c3)CN2C=C1.[O-][Cl+3]([O-])([O-])O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLHACXBRABNTG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)c(Cl)c1)C1CN=C2C=CC=CN2C1.[O-][Cl+3]([O-])([O-])O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJHQWBYLYVACP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C2CN=C3C=C(C)C=CN3C2)cc1F.[O-][Cl+3]([O-])([O-])O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHVNBRQOMMJAQ-UHFFFAOYSA-N", "SMILES:CC1=CC=CC2=NCC(C(=O)c3ccc(F)cc3)CN12.[O-][Cl+3]([O-])([O-])O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227744", "category": ["biolink:ChemicalEntity"], "name": "NITROARGININE", "xref": ["InChIKey:MRAUNPAHJZDYCK-BYPYZUCNSA-N", "SMILES:N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-]"], "synonym": ["L-ng-nitroarginine", "Ng-nitro-l-arginine", "Nitroarginine", "NSC-53662"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL574441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDKYGPCMXWAIRS-JUVZFBRBSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHLOLFKZCUCROE-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccccc2)oc2ccc(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL7942", "category": ["biolink:ChemicalEntity"], "name": "MALONIC ACID", "xref": ["InChIKey:OFOBLEOULBTSOW-UHFFFAOYSA-N", "SMILES:O=C(O)CC(=O)O"], "chembl_natural_product": true}
{"name": "NADP-dependent malic enzyme, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6182"], "id": "UniProtKB:Q16798", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539648", "category": ["biolink:ChemicalEntity"], "name": "MALEIC ACID", "xref": ["InChIKey:VZCYOOQTPOCHFL-UPHRSURJSA-N", "SMILES:O=C(O)/C=C\\C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL557347", "category": ["biolink:ChemicalEntity"], "name": "GLUTACONATE", "xref": ["InChIKey:XVOUMQNXTGKGMA-OWOJBTEDSA-N", "SMILES:O=C(O)/C=C/CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL150", "category": ["biolink:ChemicalEntity"], "name": "KAEMPFEROL", "xref": ["InChIKey:IYRMWMYZSQPJKC-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12"], "synonym": ["3'-deoxyquercetin", "C.i. 75640", "Ci 75640", "Indigo yellow", "Kaempferol", "Kaempherol", "Kampcetin", "Nimbecetin", "Pelargidenolon", "Pelargidenolon 1497", "Pelargidenon", "Populnetin", "Rhamnolutein", "Rhamnolutin", "Robigenin", "Swartziol", "Trifolitin", "NSC-407289", "NSC-656277"], "chembl_natural_product": true}
{"name": "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2", "xref": ["CHEMBL.TARGET:CHEMBL5230"], "id": "UniProtKB:P24135", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVXXTFZZGOMSSP-IJWBCHJBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJYFDRQFPQGNY-QINSGFPZSA-N", "SMILES:O=C(O)/C=C(/CCc1ccc(Cl)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHLVOBHWXLIGP-UHFFFAOYSA-N", "SMILES:Nc1scc(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYYBZBLZUIVLS-UHFFFAOYSA-N", "SMILES:Nc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYUFCPFOZWXAQL-LLVKDONJSA-N", "SMILES:C[C@@H]1CNc2c(sc3ccc4nc(-c5cccnc5)ccc4c23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXBIBHJGTXHGJL-GFCCVEGCSA-N", "SMILES:Cc1ccncc1-c1ccc2c(ccc3sc4c(c32)NC[C@@H](C)NC4=O)n1"]}
{"name": "V-type proton ATPase subunit B", "xref": ["CHEMBL.TARGET:CHEMBL6106"], "id": "UniProtKB:P16140", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521941", "category": ["biolink:ChemicalEntity"], "name": "PEPEROMIN E", "xref": ["InChIKey:HSEIBOLBSKVJFP-CQSZACIVSA-N", "SMILES:C=C1C(=O)OC[C@H]1C(c1cc(OC)c2c(c1)OCO2)c1cc(OC)c2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL559876", "category": ["biolink:ChemicalEntity"], "name": "2,6-DIDEHYDROPEPEROMIN B", "xref": ["InChIKey:NXCYGTFQPAUJIS-QRWLVFNGSA-N", "SMILES:C=C1C(=O)OC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL482477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRUMKCAEVRUBK-GODQJPCRSA-N", "SMILES:CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL551871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYDWKUAOQVOOL-YMQHIKHWSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOMHFKHKGXZTRL-XQWURTRYSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTDGCWXWGJYEQ-XQWURTRYSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHFPYVLKEYFCHH-UHFFFAOYSA-N", "SMILES:CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O"]}
{"name": "11-beta-hydroxysteroid dehydrogenase 1", "xref": ["CHEMBL.TARGET:CHEMBL3910"], "id": "UniProtKB:P50172", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUJQWHTIRWCID-HXUWFJFHSA-N", "SMILES:CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N"], "synonym": ["SB-262470"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL560532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFQDIGGVTGXCIX-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APQCNHIUQCTVFO-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(-c2nc(C(C)(N)CO)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGIFACTYWUTWPW-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)C(N)CCCCNC(=O)COc2ccc(-c3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)cc2)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGLQIBORYNANRA-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(=O)C(N)CCCCNC(=O)COc2ccc(-c3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)cc2)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CICXHJGESGAATP-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(=O)C(N)CCCCNC(=O)COc2ccc(-c3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)cc2)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDPOQTFFGJIQKX-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(=O)C(N)CCCCNC(=O)COc2ccc(-c3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)cc2)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANSXPGMWSIAUNG-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(=O)C(N)CCCCNC(=O)COc2ccc(-c3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)cc2)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQOMCALXNRSDL-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(=O)C(N)CCCCNC(=O)COc2ccc(-c3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)cc2)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUFUPCSQEDZXKD-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(=O)C(N)CCCCNC(=O)COc2ccc(-c3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)cc2)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWZWDTPIAMJTPE-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(=O)C(N)CCCCNC(=O)COc2ccc(-c3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)cc2)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWYFIYVVGDZQW-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)C(CCCCNC(C)=O)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQFBNZMALRWBQF-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(C)=O)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPMYUXTZHNJVIV-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(C)=O)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJIKPTJESKLYJP-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(C)=O)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMNWIDIFJOTML-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(C)=O)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQDDIALKMRUIHX-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(C)=O)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDSSJPENHVAHQ-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(C)=O)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUPSQWADNYVXCU-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)CCC(N)C(=O)NCCCCC(NC(=O)CCC(=O)NCCOCCOCCNC(=O)C(CCCCNC(C)=O)NC(C)=O)C(N)=O)cc1)C1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUFCNPPEUQPBSR-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCCCC(N)C(=O)NCCCCC(NC(C)=O)C(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NC(CCCCNC(C)=O)C(N)=O)cc3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFMYHSHXPOVVTR-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCCCC(N)C(=O)NCCCCC(NC(C)=O)C(=O)NCCOCCOCCNC(=O)CCC(=O)NC(CCCCNC(C)=O)C(N)=O)cc3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQVHOGMUVXIHNQ-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL164841", "category": ["biolink:ChemicalEntity"], "name": "TECHTOCHRYSIN", "xref": ["InChIKey:IRZVHDLBAYNPCT-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1"], "chembl_natural_product": true}
{"name": "Aryl hydrocarbon receptor", "xref": ["CHEMBL.TARGET:CHEMBL6099"], "id": "UniProtKB:P30561", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399910", "category": ["biolink:ChemicalEntity"], "name": "PINOCEMBRIN", "xref": ["InChIKey:URFCJEUYXNAHFI-ZDUSSCGKSA-N", "SMILES:O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21"], "synonym": ["(2s)-pinocembrin", "Dihydrochrysin", "Galangin flavanone", "Pinocembrin", "NSC-279005", "NSC-43318"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL558527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAEHXPOQFHMHBZ-YDFWNXCDSA-N", "SMILES:COc1cc(/C=C(\\C(=O)/C=C/C2=C(C)CCCC2(C)C)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIPOEUYSJJTELD-QYVSTXNMSA-N", "SMILES:C#CCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAOXVBKJGMCNRK-XNIJJKJLSA-N", "SMILES:[N-]=[N+]=Nc1ccc(NP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTIZMIEZXCAML-WOUKDFQISA-N", "SMILES:[N-]=[N+]=NCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL553675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXRCJNWABWOLQR-SCFUHWHPSA-N", "SMILES:[N-]=[N+]=NCCOCCOCCOCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZLLGYSKHRTLRX-XNIJJKJLSA-N", "SMILES:[N-]=[N+]=NCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDODNIAAUUAVOY-QYVSTXNMSA-N", "SMILES:C=CCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZJYGANOSKACSA-SDBHATRESA-N", "SMILES:C#CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPWMBHNWOWRJS-SDBHATRESA-N", "SMILES:C#CCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCXDDRIWGFCTG-IDTAVKCVSA-N", "SMILES:C#CCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCBRFDYCKLWHE-YSGPQTEJSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13OC(c4ccc(Cl)cc4)O[C@H]1/C(=C/c1ccc(Cl)cc1)C(=O)[C@@]23C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118841", "category": ["biolink:ChemicalEntity"], "name": "PYRAZOLOACRIDINE", "xref": ["InChIKey:HZCWPKGYTCJSEB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-c1nn(CCCN(C)C)c3ccc([N+](=O)[O-])c(c13)N2"], "synonym": ["Pyrazoloacridine", "NSC-366140", "NSC-627168", "PD 115934", "PD-115934"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL204347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHVQTVUXLMYTQ-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc3c(NC4CCN(Cc5ccccc5)CC4)c4ccccc4nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACEVHWPJPKVUTO-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cccc3c(NCCc4c[nH]c5ccccc45)c4ccccc4nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQOIQRMMKJHQDJ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL84", "category": ["biolink:ChemicalEntity"], "name": "TOPOTECAN", "xref": ["InChIKey:UCFGDBYHRUNTLO-QHCPKHFHSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1"], "synonym": ["Topotecan", "Topotecan", "Topotecan", "Topotecane", "Topotecan", "Ff-10850 (liposomal topotecan)", "Hycamptamine", "Hycamptin", "Nogitecan", "Topotecan", "NSC-609699", "NSC-641007", "SK&F-104864", "SKF-104864"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL257695", "category": ["biolink:ChemicalEntity"], "name": "AZIDOTHYMIDINE MONOPHOSPHATE", "xref": ["InChIKey:OIFWQOKDSPDILA-XLPZGREQSA-N", "SMILES:Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL563577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBSGAPIEKIYFO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1[nH]cnc2ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYWXBDQAYLPMIX-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJUKOMXCPCKPX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ccc2occc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418509", "category": ["biolink:ChemicalEntity"], "name": "NITROBENZYLMERCAPTOPURINE RIBONUCLEOSIDE", "xref": ["InChIKey:DYCJFJRCWPVDHY-LSCFUAHRSA-N", "SMILES:O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL562634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMXUWQWZWZLSAO-KAMZKSLDSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C"]}
{"name": "Renin", "xref": ["CHEMBL.TARGET:CHEMBL6056"], "id": "UniProtKB:Q9TSZ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9483"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTWTKGFIWIYEJ-HJNYFJLDSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJOSOVQVENJMHT-QDSKXPNFSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(CCCCOC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZVRQYQYNAGBRS-IZGRCODESA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(/C=C/CCOC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPJAUKVTMVYPP-QMMLZNLJSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(CNC(=O)OC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZRPUJYXHTOID-COPCDDAFSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(CCNC(=O)OC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRTCMCOMQSPFJT-PUHATCMVSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(C)c(OCCCOC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBJTFAFEPWZAO-QDSKXPNFSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(CC)c(OCCCOC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLYYEPGUPIYISO-COPCDDAFSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(Br)c(OCCCOC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNZUSLIDNYDNQ-QDSKXPNFSA-N", "SMILES:C#Cc1ccc(C(=O)N(C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC)C(C)C)cc1OCCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPMIGMGKFRAJT-GSDHBNRESA-N", "SMILES:CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(CC)c(OCCCOC)c1)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKGJUUIKGOANAU-HJNYFJLDSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)S(=O)(=O)c1ccc(OC)c(OCCCOC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIQKEHIZONYJO-UXPWSPDFSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZRCOQGNTQABOL-PUHATCMVSA-N", "SMILES:CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(Cc1ccc(OC)c(OCCCOC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGIFKZUIBKKDS-HJOGWXRNSA-N", "SMILES:COCCCOc1cc(CN(C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAUVYXYJXELIX-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNC(=O)C(OC(=O)CCCN)c1cc(=O)oc2cc(N(CC)CC)ccc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCVSFJZWALIAW-UHFFFAOYSA-N", "SMILES:C#CCNCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC=C)CC(=O)N(CC(N)=O)CC(C)C)Cc1ccco1)Cc1ccco1)Cc1ccco1)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWOMDIWAUKWNX-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVBAMQCASKBTJW-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDVSBATFORCND-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMSICYHMYZLMPW-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc2c3ccccc3[nH]c2c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBIXZYLDUDOLX-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOCC1)c1cc2c3cccc(Cl)c3[nH]c2c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKRNEMNIWHDPL-YFKPBYRVSA-N", "SMILES:CCC(=O)C(=O)[C@@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL102714", "category": ["biolink:ChemicalEntity"], "name": "SB-216763", "xref": ["InChIKey:JCSGFHVFHSKIJH-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21"]}
{"name": "Homeodomain-interacting protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL4576"], "id": "UniProtKB:Q9H2X6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSULAZTNWFKEW-UHFFFAOYSA-N", "SMILES:CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL322970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQCXVIPXISBFPN-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL540501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSLRBMFXSJOPG-IGXPJQGBSA-N", "SMILES:O=C(NOC[C@@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl.O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEXZJFMOKTQEZ-JYFOCSDGSA-N", "SMILES:N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(\\N)Sc1ccccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJWUXKNZVMEPPH-UHFFFAOYSA-N", "SMILES:CNCCNS(=O)(=O)c1cccc2cnccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL559147", "category": ["biolink:ChemicalEntity"], "name": "Y-27632", "xref": ["InChIKey:IYOZTVGMEWJPKR-IJLUTSLNSA-N", "SMILES:C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL264406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHQBIXMLULFEV-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQXJQSQYMMKRA-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23327", "category": ["biolink:ChemicalEntity"], "name": "PURVALANOLA", "xref": ["InChIKey:PMXCMJLOPOFPBT-HNNXBMFYSA-N", "SMILES:CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1"], "synonym": ["Piceatannol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL577784", "category": ["biolink:ChemicalEntity"], "name": "BX-795", "xref": ["InChIKey:VAVXGGRQQJZYBL-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379300", "category": ["biolink:ChemicalEntity"], "name": "A-443654", "xref": ["InChIKey:YWTBGJGMTBHQTM-IBGZPJMESA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL410456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDZHVCKYBCJHW-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLYNJZZQYEFEA-XDJHFCHBSA-N", "SMILES:N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVFVCGFMNCYPV-NSHDSACASA-N", "SMILES:C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12"], "chembl_natural_product": true}
{"name": "Proto-oncogene tyrosine-protein kinase Src", "xref": ["CHEMBL.TARGET:CHEMBL3655"], "id": "UniProtKB:P00523", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNRSTFUVBWNELX-UHFFFAOYSA-N", "SMILES:CC(=O)O.O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1880739", "category": ["biolink:ChemicalEntity"], "name": "GW305074X", "xref": ["InChIKey:LMXYVLFTZRPNRV-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKYMFFYOWUTKV-UHFFFAOYSA-N", "SMILES:NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1240885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQPMANVRZYYQMD-UHFFFAOYSA-N", "SMILES:Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL605003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGJQOUIVKBFGH-YBEGLDIGSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL79004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZRMBDHPALEPDM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccnc1"]}
{"name": "Serine/threonine-protein kinase Sgk1", "xref": ["CHEMBL.TARGET:CHEMBL2343"], "id": "UniProtKB:O00141", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTEKTGDVSARYDS-UHFFFAOYSA-N", "SMILES:CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C"]}
{"name": "Calcium/calmodulin-dependent protein kinase kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5256"], "id": "UniProtKB:Q8N5S9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMWVGXGXHPOEPT-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL306380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVPDNRVYHLRXLX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1"], "chembl_natural_product": true}
{"name": "Dual specificity tyrosine-phosphorylation-regulated kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL4575"], "id": "UniProtKB:O43781", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1725279", "category": ["biolink:ChemicalEntity"], "name": "SP-600125", "xref": ["InChIKey:KRIUNPBAQZGFQA-UHFFFAOYSA-N", "SMILES:Oc1c2ccccc2c2c3c(cccc13)N=N2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL269538", "category": ["biolink:ChemicalEntity"], "name": "HARMINE", "xref": ["InChIKey:BXNJHAXVSOCGBA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c(C)nccc12"], "synonym": ["Harmine", "Harmine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL340807", "category": ["biolink:ChemicalEntity"], "name": "HARMALINE", "xref": ["InChIKey:RERZNCLIYCABFS-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)C(C)=NCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL478629", "category": ["biolink:ChemicalEntity"], "name": "DORSOMORPHIN", "xref": ["InChIKey:XHBVYDAKJHETMP-UHFFFAOYSA-N", "SMILES:c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL608532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHEHVZXPFVXKEY-MWOZDUBJSA-N", "SMILES:CCCCCCOC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"name": "Mitogen-activated protein kinase 15", "xref": ["CHEMBL.TARGET:CHEMBL5198"], "id": "UniProtKB:Q8TD08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYEFPDQFAZNXLI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1336", "category": ["biolink:ChemicalEntity"], "name": "SORAFENIB", "xref": ["InChIKey:MLDQJTXFUGDVEO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1"], "synonym": ["Sorafenib", "Sorafenib", "Sorafenib", "Sorafenib", "Sorafenib", "BAY 43-9006", "BAY-43-9006", "Sorafenib"], "chembl_availability_type": "prescription only"}
{"name": "MAP/microtubule affinity-regulating kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL5600"], "id": "UniProtKB:P27448", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDORCFLUJZUQS-ZDUSSCGKSA-N", "SMILES:Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL296586", "category": ["biolink:ChemicalEntity"], "name": "KENPAULLONE", "xref": ["InChIKey:QQUXFYAWXPMDOE-UHFFFAOYSA-N", "SMILES:O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1"]}
{"name": "Serine/threonine-protein kinase PAK 6", "xref": ["CHEMBL.TARGET:CHEMBL4311"], "id": "UniProtKB:Q9NQU5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium/calmodulin-dependent protein kinase kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL5284"], "id": "UniProtKB:Q96RR4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIWGYFZAEWGBAL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1"]}
{"name": "Calcium/calmodulin-dependent protein kinase type 1", "xref": ["CHEMBL.TARGET:CHEMBL2493"], "id": "UniProtKB:Q14012", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249697", "category": ["biolink:ChemicalEntity"], "name": "BMS-345541", "xref": ["InChIKey:PSPFQEBFYXJZEV-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412142", "category": ["biolink:ChemicalEntity"], "name": "LADUVIGLUSIB", "xref": ["InChIKey:AQGNHMOJWBZFQQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1"], "synonym": ["CHIR-911", "CHIR-99021", "CHR-00921", "CHR00921", "CT-99021", "CT99021", "FX03", "Laduviglusib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278041", "category": ["biolink:ChemicalEntity"], "name": "SB-202190", "xref": ["InChIKey:QHKYPYXTTXKZST-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL50894", "category": ["biolink:ChemicalEntity"], "name": "ALSTERPAULLONE", "xref": ["InChIKey:OLUKILHGKRVDCT-UHFFFAOYSA-N", "SMILES:O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL240954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOZSDJHGMAEGZ-IGKKHSBFSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1C"], "chembl_natural_product": true}
{"name": "Dual specificity mitogen-activated protein kinase kinase 5", "xref": ["CHEMBL.TARGET:CHEMBL4948"], "id": "UniProtKB:Q13163", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCADPEDUULETPK-SECBINFHSA-N", "SMILES:O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCADPEDUULETPK-VIFPVBQESA-N", "SMILES:O=C(NOC[C@@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl"]}
{"name": "Homeodomain-interacting protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL4577"], "id": "UniProtKB:Q9H422", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576349", "category": ["biolink:ChemicalEntity"], "name": "IC261", "xref": ["InChIKey:JBJYTZXCZDNOJW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C=C2C(=O)Nc3ccccc32)c(OC)c1"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein kinase N2", "xref": ["CHEMBL.TARGET:CHEMBL3032"], "id": "UniProtKB:Q16513", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic elongation factor 2 kinase", "xref": ["CHEMBL.TARGET:CHEMBL5026"], "id": "UniProtKB:O00418", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAEMHJKFIIIULI-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1"], "chembl_natural_product": true}
{"name": "MAP kinase-activated protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL4670"], "id": "UniProtKB:Q16644", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12014", "category": ["biolink:ChemicalEntity"], "name": "HARMAN", "xref": ["InChIKey:PSFDQSOCUJVVGF-UHFFFAOYSA-N", "SMILES:Cc1nccc2c1[nH]c1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL578220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHNVYWPYWEZOW-JWGURIENSA-N", "SMILES:CCCCCC1=C/C(=C/c2[nH]c(-c3ccc(Cc4ccc(O)cc4)[nH]3)cc2OC)N=C1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL275787", "category": ["biolink:ChemicalEntity"], "name": "PRODIGIOSIN", "xref": ["InChIKey:SZXDNGVQRDTJSD-VBKFSLOCSA-N", "SMILES:CCCCCC1=C/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL572637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHDDFCIAFXETP-UHFFFAOYSA-N", "SMILES:Cc1nc2c(cc1C#N)C(Nc1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576383", "category": ["biolink:ChemicalEntity"], "name": "OLIVOMYCIN I", "xref": ["InChIKey:OCOLTXUAPMAMPP-AJVJTBPOSA-N", "SMILES:CO[C@@H]1[C@H](O)C[C@@H](O[C@@H]2C[C@H](Oc3cc(O)c4c(O)c5c(cc4c3)C[C@@H]([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)[C@H](O[C@H]3C[C@@H](O[C@H]4C[C@@H](O[C@H]6C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O6)[C@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)C5=O)O[C@H](C)[C@@H]2OC(C)=O)O[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL578971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOUNLMRHVSURH-PVJDSLIASA-N", "SMILES:CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3c(/N=N/c4ccc(Cl)c(Cl)c4)c(O)cc(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGDBIOHCLWZIV-FJJZWSEKSA-N", "SMILES:CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3c(/N=N/c4ccc(C)cc4)c(O)cc(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYJQGUQRFXYNC-TVTJGUELSA-N", "SMILES:Cc1cn(C[C@H]2C[C@H](NC(=O)C(N)CO)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YICOHYLZMKIUST-XCFHNIKRSA-N", "SMILES:Cc1cn(C[C@H]2C[C@H](NC(=O)C(N)Cc3c[nH]c4ccccc34)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFPFZFXUAABSO-KFIMKLJYSA-N", "SMILES:Cc1cn(C[C@H]2C[C@H](NC(=O)C(N)Cc3ccc(O)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDLZRXJBOZZAO-HYMOQOOVSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[32P](=O)(O)O[32P](=O)(O)Cc1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVXZQRARGSIGRL-OCVYIDTCSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[32P](=O)(O)O[32P](=O)(O)Cc1ccc(C(=O)c2ccccc2)cc1"]}
{"name": "Farnesyl diphosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL1075078"], "id": "UniProtKB:P22939", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL264938", "category": ["biolink:ChemicalEntity"], "name": "GALLOCATECHIN GALLATE", "xref": ["InChIKey:WMBWREPUVVBILR-NQIIRXRSSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL297453", "category": ["biolink:ChemicalEntity"], "name": "EPIGALOCATECHIN GALLATE", "xref": ["InChIKey:WMBWREPUVVBILR-WIYYLYMNSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "synonym": ["(-)-epigallocatechin gallate", "Epigalocatechin gallate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1081326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKUBIEWSGBVADJ-VZBPFLCRSA-N", "SMILES:C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL221542", "category": ["biolink:ChemicalEntity"], "name": "BETA-SITOSTEROL", "xref": ["InChIKey:KZJWDPNRJALLNS-VJSFXXLFSA-N", "SMILES:CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL506678", "category": ["biolink:ChemicalEntity"], "name": "SITOGLUSIDE", "xref": ["InChIKey:NPJICTMALKLTFW-OFUAXYCQSA-N", "SMILES:CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C"], "synonym": ["Sitogluside", "Sitoglusido", ".beta.-sitosterol-glucoside", "Alexandrin", "Coriandrinol", "Daucosterin", "Daucosterine", "Daucosterol", "Lyoniside", "AW 10", "AW-10", "BSS-G", "BSSG", "EU-4906", "NSC-165962", "WA 184", "WA-184", "Sitogluside"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL575924", "category": ["biolink:ChemicalEntity"], "name": "PALBINONE", "xref": ["InChIKey:KIAKLFLISZCITK-PPAUHQMUSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C=CC4=C(O)C(=O)C(=O)[C@@]4(C)[C@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL583194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPEIJQLXFHKLJV-UHFFFAOYSA-N", "SMILES:c1cncc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)c1"]}
{"name": "Penicillin-binding protein 2X", "xref": ["CHEMBL.TARGET:CHEMBL1255138"], "id": "UniProtKB:P59676", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVFCSSKOLOOQX-FRBCUPRMSA-N", "SMILES:CCO/N=C(\\C(=O)NC1C(=O)N2C(C(=O)[O-])=CC(/C=C/Sc3cc[n+](C)cc3)SC12)c1nsc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576981", "category": ["biolink:ChemicalEntity"], "name": "TEBIPENEM", "xref": ["InChIKey:GXXLUDOKHXEFBQ-YJFSRANCSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12"], "synonym": ["Ljc-11036", "Tebipenem"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316197", "category": ["biolink:ChemicalEntity"], "name": "SANFETRINEM", "xref": ["InChIKey:ICFDDEJRXZSWTA-KJFVXYAMSA-N", "SMILES:CO[C@H]1CCC[C@H]2C1=C(C(=O)O)N1C(=O)[C@H]([C@@H](C)O)[C@@H]21"], "synonym": ["Sanfetrinem", "Sanfetrinem"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL315314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEJDVGZWJKPUDA-MRVPVSSYSA-N", "SMILES:C[C@@H](NC(=O)c1ccccc1)C(=O)SCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPJGETUYIIPNC-UHMSALISSA-N", "SMILES:CCO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3ncn4CCCNC)CS[C@H]12)c1nsc(N)n1.O=S(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUWUNMGTLOPNC-RLQAYIIJSA-N", "SMILES:NCCSCc1cnccc1SC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3nc(N)sc3Cl)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221990", "category": ["biolink:ChemicalEntity"], "name": "PHENOXYACETYL LACTIVICIN", "xref": ["InChIKey:BEXUPIKOWKCBRQ-ZBEGNZNMSA-N", "SMILES:O=C(COc1ccccc1)N[C@H]1CON([C@@]2(C(=O)O)CCC(=O)O2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL339323", "category": ["biolink:ChemicalEntity"], "name": "PANIPENEM", "xref": ["InChIKey:TYMABNNERDVXID-DLYFRVTGSA-N", "SMILES:CC(=N)N1CC[C@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)C1"], "synonym": ["Panipenem", "CS-533", "RS-533"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL573073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHHPZAQMPVUYGW-ZFOPZNLSSA-N", "SMILES:CC(=O)C[n+]1ccc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)/C(=N/OC4CCCC4)c4csc(N)n4)[C@H]3SC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480517", "category": ["biolink:ChemicalEntity"], "name": "NITROCEFIN", "xref": ["InChIKey:LHNIIDJCEODSHA-OQRUQETBSA-N", "SMILES:O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12"], "synonym": ["Nitrocefin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1013", "category": ["biolink:ChemicalEntity"], "name": "LORACARBEF ANHYDROUS", "xref": ["InChIKey:JAPHQRWPEGVNBT-UTUOFQBUSA-N", "SMILES:N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1"], "synonym": ["Anhydrous loracarbef", "Loracarbef anhydrous", "Loracarbef, anhydrous", "Lorbef", "LY-163892"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL573504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBZREKINKKRXQH-IEWLRHSUSA-N", "SMILES:Nc1cc(SCSC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)/C(=N/O)c4nc(N)sc4Cl)[C@H]3SC2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909427", "category": ["biolink:ChemicalEntity"], "name": "LACTIVICIN", "xref": ["InChIKey:ZUEKKUYIXILDAF-UHFFFAOYSA-N", "SMILES:CC(=O)NC1CON(C2(C(=O)O)CCC(=O)O2)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL148", "category": ["biolink:ChemicalEntity"], "name": "IMIPENEM ANHYDROUS", "xref": ["InChIKey:ZSKVGTPCRGIANV-ZXFLCMHBSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12"], "synonym": ["Imipenem (anhydrous)", "Imipenem anhydrous"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL617", "category": ["biolink:ChemicalEntity"], "name": "CEPHALOTHIN", "xref": ["InChIKey:XIURVHNZVLADCM-IUODEOHRSA-N", "SMILES:CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1"], "synonym": ["Cefalotin", "Cefalotin", "Cefalotin", "Cefalotin", "Cefalotine", "Cefalotina"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1436", "category": ["biolink:ChemicalEntity"], "name": "CEFUROXIME", "xref": ["InChIKey:JFPVXVDWJQMJEE-IZRZKJBUSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1"], "synonym": ["Cefuroxime", "Cefuroxime", "Cefuroxime", "Cefuroxima", "Cefuroxime", "Cefuroxime acid", "Cefuroximine", "640/359", "Cefuroxime", "Cefuroxime"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL161", "category": ["biolink:ChemicalEntity"], "name": "CEFTRIAXONE", "xref": ["InChIKey:VAAUVRVFOQPIGI-SPQHTLEESA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1"], "synonym": ["Ceftriaxone", "Ceftriaxone", "Ceftriaxone", "Ceftriaxona", "Ceftriaxone", "Ceftriaxon", "Ceftriaxone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3301800", "category": ["biolink:ChemicalEntity"], "name": "CEFPROZIL", "xref": ["InChIKey:WDLWHQDACQUCJR-PBFPGSCMSA-N", "SMILES:CC=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1730", "category": ["biolink:ChemicalEntity"], "name": "CEFOTAXIME", "xref": ["InChIKey:GPRBEKHLDVQUJE-QSWIMTSFSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1"], "synonym": ["Cefotaxime", "Cefotaxime", "Cefotaxime", "Cefotaxima", "Cefotaxim hikma", "Cefotaxime"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL582912", "category": ["biolink:ChemicalEntity"], "name": "CEFCAPENE", "xref": ["InChIKey:HJJRIJDTIPFROI-NVKITGPLSA-N", "SMILES:CC/C=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1"], "synonym": ["Cefcapene", "Cefcapene", "Cefcapeno"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL680", "category": ["biolink:ChemicalEntity"], "name": "CEFACLOR ANHYDROUS", "xref": ["InChIKey:QYIYFLOTGYLRGG-GPCCPHFNSA-N", "SMILES:N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1"], "synonym": ["Cefaclor anhydrous"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL574133", "category": ["biolink:ChemicalEntity"], "name": "BMS-247243", "xref": ["InChIKey:ZVIPJDOMICMDIB-OCTHLVAFSA-N", "SMILES:Cc1cc(SCC2=C(C(=O)[O-])N3C[C@@H](NC(=O)CSc4c(Cl)cc(/C=C/C(=O)NCC(=O)[O-])cc4Cl)[C@H]3SC2)cc(C)[n+]1CCC[N+]1(C)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSYMYSZJUFVOS-UHFFFAOYSA-N", "SMILES:CCC1C(=O)N2CC1CC(OC)=C2C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285347", "category": ["biolink:ChemicalEntity"], "name": "BIAPENEM", "xref": ["InChIKey:MRMBZHPJVKCOMA-YJFSRANCSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12"], "synonym": ["Biapenem", "Biapenem", "Biapenem", "Biapenem", "Biapenem", "Omegacin", "CL 186,815", "CL-186815", "L-627", "LJ C10,627", "LJ-C10627", "LJC-10627", "Biapenem"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL215303", "category": ["biolink:ChemicalEntity"], "name": "GARENOXACIN", "xref": ["InChIKey:NJDRXTDGYFKORP-LLVKDONJSA-N", "SMILES:C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21"], "synonym": ["Garenoxacin", "Garenoxacin", "Garenoxacine", "Garenoxacino", "T-3811"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAIDABUOLWUEQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nnc(CSc3ccc(Cl)cc3)s2)c(S(=O)(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHIXNFPZKMURE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)Nc1c(Oc2ccc(Cl)c(Cl)c2)ccc(Cl)c1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRXBXQAFEIOKPV-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)Nc1c(Oc2ccc(Cl)cc2)ccc(Cl)c1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNNRSTWUVXDTJK-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1nc2cc(Br)ccc2s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODJAFFPCGRBAV-LURJTMIESA-N", "SMILES:COc1ccc2sc(S[C@@H](C)C(=O)O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADGBOQVBUXZKO-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBYJFBOWWUYWJI-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)c(F)c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORNOTFUYKEQRZ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1F)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYCVCZNDBWANE-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRFIEYWWBGNADS-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C(=O)c1cc(C(=O)O)cc(C(=O)O)c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABLWBDPSRPCIAH-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1Cc1cc(C(=O)O)cc(C(=O)O)c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVGHPNCCBMWFS-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C(=O)c1cccc(C(=O)O)c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRIDDIDLBHUHMX-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1Cc1cccc(C(=O)O)c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSZUZQZXROBMJ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1Cc1ccc(C(=O)O)c(F)c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLOLISLIYVSIJM-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1Cc1ccc(C(=O)O)cc1F)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXBNHWCTLWSDM-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1Cc1ccc(C(=O)O)c([N+](=O)[O-])c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUINRWMEYLMCBK-LFYBBSHMSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)c2ccc(OCCOCCOCCF)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUINRWMEYLMCBK-LWWXIMAASA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)c2ccc(OCCOCCOCC[18F])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336467", "category": ["biolink:ChemicalEntity"], "name": "FUROXAN", "xref": ["InChIKey:PMYJGTWUVVVOFO-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)no[n+]1[O-]"]}
{"name": "Thioredoxin glutathione reductase", "synonym": ["thioredoxin-disulfide reductase"], "xref": ["CHEMBL.TARGET:CHEMBL6110"], "id": "UniProtKB:Q962Y6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6183"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDBROSJWZYGSZ-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFRPTDABLAIJMY-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1Cc1ccc(CN2C(=O)C=CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZJQDZKTAJEHO-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl"]}
{"name": "DNA-binding transcriptional activator DevR/DosR", "xref": ["CHEMBL.TARGET:CHEMBL6064"], "id": "UniProtKB:P9WMF9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGRLBREQBQTBH-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1NC(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOFOQKATSBUOJM-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHPHWKEGLUENQ-FQEVSTJZSA-N", "SMILES:CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIJJOSOEBIMHV-UHFFFAOYSA-N", "SMILES:CCOC(=O)CSc1nc(N)c2c(C)c(C)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKNYPWUDOXNGAB-UHFFFAOYSA-N", "SMILES:Cc1sc2nc(SCCc3ccccc3)nc(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZUGQRQIVYFQX-UHFFFAOYSA-N", "SMILES:CCOC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGJOGZCAZRQAMZ-UHFFFAOYSA-N", "SMILES:Nc1nc(SCCc2ccccc2)nc2sc3c(c12)CCCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL584142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMHKZACQKRSZIS-VJZRQGKXSA-N", "SMILES:NC(=O)C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC(=O)[C@H](c2cc(F)cc(F)c2)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](N)CSSC[C@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJFONHORCSESE-KOEQRZSOSA-N", "SMILES:C=CCc1cccc(/C=N/NC(=O)CC2CCN(Cc3ccccc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOTUODTYBEZII-HZHRSRAPSA-N", "SMILES:C=CCc1cccc(/C=N/NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591429", "category": ["biolink:ChemicalEntity"], "name": "PAC-1", "xref": ["InChIKey:YQNRVGJCPCNMKT-LFVJCYFKSA-N", "SMILES:C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O"], "synonym": ["Pac-1", "Procaspase-activating compound 1", "PAC-1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL572457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSKIPBMFJNUUKM-OLZFPDKCSA-N", "SMILES:C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3cccc(Cn4cc(CNC(=O)Cc5c(C)c6cc(S(=O)(=O)O)c(N)cc6oc5=O)nn4)c3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOBDBFPYJXJEHC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=S)SSC(=S)N2CCN(C)CC2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL577082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTPNIERTSGNPPZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2c3c(c(C)cc12)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJAKEYFSBYCREY-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2c3c(c(CC(C)C)cc12)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAZWXWRUUAZICU-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2c3c(c(C(C)C)cc12)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWFXNUKONWGDB-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(C(=O)OC)cccc2c2c1C(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKLQAUIBCCMKQ-UHFFFAOYSA-N", "SMILES:CCc1cc2c(C(=O)OC)cccc2c2c1C(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNXBEPOHHKHCMY-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2c3c(c(C)c(C)c12)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNNVHWJXRGDMQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c3c(c(CC(C)O)cc2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGROFDQABJLMDE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c3c(c(CCO)cc2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAZUNLGRIQTCH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c3c(c(CC(C)OCc4ccccc4)cc2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJXCLLNNNOLJBX-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c3c(c(CCOCc4ccccc4)cc2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSHVBBQNKVQFC-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c3c(c(C)c(C)c2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFJIHIRXJYHHLZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c3c(c(CC(C)C)cc2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQPIFCUCUBQQI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c3c(c(C(C)C)cc2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMUFRYDUEIRDFD-UHFFFAOYSA-N", "SMILES:CCc1cc2cc(C(=O)OC)ccc2c2c1C(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXMFCPOHAYCEBU-UHFFFAOYSA-N", "SMILES:CCc1c(C)c2c(c3cc(C(=O)OC)ccc13)C(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKALMYCHRSVKH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2cc(CC(C)C)c3c(c2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVHJFFWRCNFNLY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2cc(C(C)C)c3c(c2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXPBDFAWOBDEA-UHFFFAOYSA-N", "SMILES:CCc1cc2ccc(C(=O)OC)cc2c2c1C(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOBGLLPBRSOPOO-UHFFFAOYSA-N", "SMILES:Cc1cc2ccccc2c2c1C(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGRXTFGXOYVKRL-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C)c3c(c2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSMUOWPYIMNGP-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cl)cc2c2c1C(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXBLCFJQCKGEKR-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2cc(C)c3c(c2c1)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSJKORUTJXEQOI-UHFFFAOYSA-N", "SMILES:CCc1cc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVMFNLSFJGRPMS-UHFFFAOYSA-N", "SMILES:COc1cc2c(C)cc3c(c2cc1OC)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVUGRBSBIXXJE-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLFMRNGIMGKLMR-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C(=O)OC)c2ccccn2c1C(=O)c1ccc2c(c1)CCCC2"]}
{"name": "Quinone oxidoreductase", "xref": ["CHEMBL.TARGET:CHEMBL4332"], "id": "UniProtKB:P47199", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHQYGWIERCVAQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C(=O)OC)c2cc(C)ccn2c1C(=O)c1ccc2c(c1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPYTLHUTUWMHW-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C(=O)OC)c2cccc(C)n2c1C(=O)c1ccc2c(c1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVCGAJVXBGFTI-UHFFFAOYSA-M", "SMILES:O=C(C[n+]1ccccc1)c1ccc2c(c1)CCCC2.[Br-]"]}
{"name": "Epoxide hydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL1075293"], "id": "UniProtKB:Q9D379", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKUHNFBTOVRRPL-UHFFFAOYSA-M", "SMILES:Cc1cc[n+](CC(=O)c2ccc3c(c2)CCCC3)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMFYGCBFGKTSBS-UHFFFAOYSA-M", "SMILES:Cc1cccc[n+]1CC(=O)c1ccc2c(c1)CCCC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL579270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNIGKKZUQDNANX-QEEOGARWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCCNC(=O)CCOCCOCCOCCOCNC(=O)CCCCC2SCC3NC(=O)NC32)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOUPDYBXVFKJRL-UJKQEGAGSA-N", "SMILES:Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL182150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIMGWSOSCFGRU-IYBDPMFKSA-N", "SMILES:CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569435", "category": ["biolink:ChemicalEntity"], "name": "MALONODIHYDROXAMIC ACID", "xref": ["InChIKey:PZFQKMJVRDKVMJ-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)NO)NO"]}
{"name": "Serine racemase", "xref": ["CHEMBL.TARGET:CHEMBL1075306"], "id": "UniProtKB:Q9QZX7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566071", "category": ["biolink:ChemicalEntity"], "name": "SUCCINODIHYDROXAMIC ACID", "xref": ["InChIKey:CPNWYUNUUZVJEZ-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)NO)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYVTTSIVDYQSO-REOHCLBHSA-N", "SMILES:N[C@@H](CC(=O)NO)C(=O)O"], "chembl_natural_product": true}
{"name": "Serine racemase", "xref": ["CHEMBL.TARGET:CHEMBL4460"], "id": "UniProtKB:Q9GZT4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "L-serine dehydratase/L-threonine deaminase", "xref": ["CHEMBL.TARGET:CHEMBL1075240"], "id": "UniProtKB:P09367", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBJOUCGADPALIB-XFXZXTDPSA-N", "SMILES:CCOc1ccc(/C=C2\\SC(=O)N(CCN)C2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL576088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEWFTRCRWUODIK-RCTBWUFCSA-N", "SMILES:CN(C)CCN1C(=O)S/C(=C\\C/C=C/c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCSZHKPGQJRTSN-UVTDQMKNSA-N", "SMILES:NCCN1C(=O)S/C(=C\\c2cccc3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMFMSPHPPOAIB-WQLSENKSSA-N", "SMILES:NCCN1C(=O)S/C(=C\\c2ccc3c(c2)OCCO3)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRLVNAJFWKTAQN-WJDWOHSUSA-N", "SMILES:NCCN1C(=O)S/C(=C\\c2ccc(-c3ccc(Cl)cc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVQYNOLICLPPNI-XFXZXTDPSA-N", "SMILES:CCOc1ccccc1/C=C1\\SC(=O)N(CCN)C1=O"]}
{"name": "ETS domain-containing protein Elk-1", "xref": ["CHEMBL.TARGET:CHEMBL4453"], "id": "UniProtKB:P19419", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWFXXBORYEJQI-JHLWKMQHSA-N", "SMILES:O=S(=O)(O)CCN1N/C(=C/C=C/c2ccccc2)SC1=S"]}
{"name": "Dual specificity protein phosphatase 3", "xref": ["CHEMBL.TARGET:CHEMBL2635"], "id": "UniProtKB:P51452", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTLSFRLCZWVOX-WJMKUHCKSA-N", "SMILES:N=C(NCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYMLPPZZDOFUGU-BXXSKVKHSA-N", "SMILES:N=C(NCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHPNERMMSJFJZ-XLEWPYSBSA-N", "SMILES:N=C(NCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIXIYOMFMSRPBS-OWULCGSXSA-N", "SMILES:N=C(NCCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUPDJVHISIBGPP-CEWUSXCGSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C=N\\NC(N)=S)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTMANIAQMAYNB-MGCLYYDPSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc3ccc(/C=N\\NC(N)=S)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDEYNBVKGAPBIG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(OC(=O)c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)CC(C)(C)N1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRHRAPSVOIMXJY-FQEVSTJZSA-N", "SMILES:CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRHRAPSVOIMXJY-HXUWFJFHSA-N", "SMILES:CN1CCN(c2cccc3nc(CN(C)[C@@H]4CCCc5cccnc54)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYHMIXFJBPMLF-UHFFFAOYSA-N", "SMILES:CN(Cc1cn2c(N3CCOCC3)cccc2n1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDYGAGPVZXUDBW-NRFANRHFSA-N", "SMILES:CCN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFHHDEUDFFNCEW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc3nc(CN(CC(F)(F)F)C4CCCc5cccnc54)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKZZNVOWQCIBI-QFIPXVFZSA-N", "SMILES:CCCN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSUPMMHOXHUJT-QFIPXVFZSA-N", "SMILES:CC(C)N(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYNQVPNMSPERK-QHCPKHFHSA-N", "SMILES:CN1CCN(c2cccc3nc(CN(CC4CC4)[C@H]4CCCc5cccnc54)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMXLHJXSIULNM-QHCPKHFHSA-N", "SMILES:CCCCN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTROCZWZGUYFHN-QHCPKHFHSA-N", "SMILES:CC(C)CN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNOPLAIRDVCQBH-SANMLTNESA-N", "SMILES:CN1CCN(c2cccc3nc(CN(Cc4ccccc4)[C@H]4CCCc5cccnc54)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTYCIUZFGNBFDO-NRFANRHFSA-N", "SMILES:CCN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFPNAWHIPSNSRA-QFIPXVFZSA-N", "SMILES:CC(C)N1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBMNHLGYITPKH-KEKNWZKVSA-N", "SMILES:CN(Cc1cn2c(N3CCN4CCCC4C3)cccc2n1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIURFEOCHGTHBC-IBGZPJMESA-N", "SMILES:CNCCN(C)c1cccc2nc(CN(C)[C@H]3CCCc4cccnc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGVJGVHZOIZFP-FQEVSTJZSA-N", "SMILES:CN(Cc1cn2c(N3CCC(N)CC3)cccc2n1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAXBNABGPSQIHG-QFIPXVFZSA-N", "SMILES:CN(C)C1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYJZDNOWILGPM-SFTDATJTSA-N", "SMILES:CN(C)[C@H]1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYJZDNOWILGPM-RTWAWAEBSA-N", "SMILES:CN(C)[C@@H]1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGOEFQJWNRJEG-LBAQZLPGSA-N", "SMILES:CN1CCC(N(C)c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRADFNTAYCYKO-QFIPXVFZSA-N", "SMILES:CN1CCC(N(C)c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNUIMDSYFZNHMI-FQEVSTJZSA-N", "SMILES:CN1CCN(c2cccn3cc(CN(C)[C@H]4CCCc5cccnc54)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RARYKEKXHDOFGV-IBGZPJMESA-N", "SMILES:CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYJUELJCNVBLHX-YARRORNKSA-N", "SMILES:CCOC(=O)CNC(=O)/C=C\\C(=O)N1C/C(=C\\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCFIZREEACAJJ-HQMOMSJYSA-N", "SMILES:CCOC(=O)[C@H](CCSC)NC(=O)/C=C\\C(=O)N1C/C(=C\\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUZHIIOXSMDEEG-HDGKISCNSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\\C(=O)N1C/C(=C\\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTZMUGXGMBGIIU-SLFHTYIQSA-N", "SMILES:CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\\C(=O)N1C/C(=C\\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIESIXYUZIEROB-NGEDFESVSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C\\C(=O)N1C/C(=C\\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVNYFPYAZQEZLU-LFZGPLBCSA-N", "SMILES:CCOC(=O)[C@@H](NC(=O)/C=C\\C(=O)N1C/C(=C\\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDBCHPIDAEBPI-HXNIPEAXSA-N", "SMILES:CCOC(=O)[C@H](C)NC(=O)/C=C\\C(=O)N1C/C(=C\\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSVFASLJGWTLZ-XOXDYFJRSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C\\C(=O)N1C/C(=C\\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDGUBGIHMEFND-IPBHJUQPSA-N", "SMILES:CCOC(=O)[C@H](CC(C)C)NC(=O)/C=C\\C(=O)N1C/C(=C\\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDROMEXQJBMJKF-APHBMKBZSA-N", "SMILES:CN[C@@H](C)C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)N[C@@H]1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZEKUGZAKDZVTI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)Nc3ccc(-c4nc(N5CC6CCC(C5)O6)c5cnn(CC(F)(F)F)c5n4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEQWCFWGUVTQH-BUSXIPJBSA-N", "SMILES:CN[C@@H](C)C(=O)Nc1nc2c(s1)CCC2C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNNQQHQKSMHBH-AMGKYWFPSA-N", "SMILES:CN[C@@H](C)C(=O)Nc1nc2c(s1)CCC2C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDROMEXQJBMJKF-JQRITLKVSA-N", "SMILES:CN[C@@H](C)C(=O)Nc1nc2c(s1)CCC2C(=O)NC1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSWJSSGQFKUHE-MBIQTGHCSA-N", "SMILES:C[C@H](N)C(=O)Nc1nc2c(s1)CCC2C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYXPKOKDNSUFD-NUHJPDEHSA-N", "SMILES:C[C@H](N)C(=O)Nc1nc2c(s1)CCC2C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBFOTDPMLSLTEY-QGLTVNCISA-N", "SMILES:C[C@H](N)C(=O)Nc1nc2c(s1)CCC2C(=O)NC1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJLSBVZIPARSG-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc(C)c1C"]}
{"name": "Secreted frizzled-related protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1075304"], "id": "UniProtKB:Q8C4U3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Secreted frizzled-related protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1075241"], "id": "UniProtKB:Q9R168", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Secreted frizzled-related protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5517"], "id": "UniProtKB:Q8N474", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proto-oncogene Wnt-3", "xref": ["CHEMBL.TARGET:CHEMBL6079"], "id": "UniProtKB:P56703", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFRNLRWFDIHSV-UHFFFAOYSA-N", "SMILES:CCC1(CC)C(=O)N(c2ccc(C#N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWMLCDGRWWLAQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(N)c2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL584702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHDXMRZUMUXSK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(N(CCCCOc3ccccc3)Cc3ccc(C(=O)NO)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMACLCAWTDHRPT-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCCN(Cc2ccc(C(=O)NO)cc2)c2ncc(-c3ccc(C)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBHLEQTLCDMSC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(N(CCCOc3ccccc3)Cc3ccc(C(=O)NO)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURLFGLAIMUBQN-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCN(Cc2ccc(C(=O)NO)cc2)c2ncc(-c3ccc(C)cc3)s2)cc1"]}
{"name": "Beta-lactoglobulin", "xref": ["CHEMBL.TARGET:CHEMBL1075053"], "id": "UniProtKB:P02754", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7301", "category": ["biolink:ChemicalEntity"], "name": "FENRETINIDE", "xref": ["InChIKey:AKJHMTWEGVYYSE-FXILSDISSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1"], "synonym": ["Fenretinide", "Fenretinida", "Fenretinide", "4-hpr", "All-trans-4'-hydroxyretinanilide", "Fenretinide", "N-(4-hydroxyphenyl)retinamide", "Retinamide, n-(4-hydroxyphenyl)-", "Rii retinamide", "MCN-R-1967", "NSC-760419", "Fenretinide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL572051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYQOKIPPLIKFQS-PHEQNACWSA-N", "SMILES:COC(=O)/C=C/c1ccc(/C=C/C2=C(C)CCCC2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFEYVIFCFBYTFT-WLFZQWOBSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CCCSSCCCC(=O)OCCN(Cc1ccccc1)c1ccc(/C=C/C(=O)NO)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXXRGSGBOSQLHA-HEVIKAOCSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CCCSSCCCC(=O)N[C@H]1CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc31)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPDQFUYPBVXUKS-YADHBBJMSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O"]}
{"name": "Probable G-protein coupled receptor 34", "xref": ["CHEMBL.TARGET:CHEMBL1075291"], "id": "UniProtKB:Q9R1K6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "G protein-coupled receptor 34", "synonym": ["Probable G-protein coupled receptor 34"], "xref": ["CHEMBL.TARGET:CHEMBL1075235"], "id": "UniProtKB:Q6XCE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNRZTNACRZLSFG-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)NCCSc1nc2ccc(NC(=O)c3csnn3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKRGUKZDNRXHJ-WGDLNXRISA-N", "SMILES:CN1CCN(c2ccccc2C(=O)/C=C/c2cccc(/C=C/C(=O)NO)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBFZWRLQQPYAL-WGDLNXRISA-N", "SMILES:CN1CCN(Cc2ccccc2C(=O)/C=C/c2cccc(/C=C/C(=O)NO)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILNZTCJWQPCPCA-GFULKKFKSA-N", "SMILES:CN1CCN(c2cccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYKTRLLPWIRCR-GFULKKFKSA-N", "SMILES:CN1CCN(Cc2cccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQUNILVJJVJFX-YDWXAUTNSA-N", "SMILES:CN1CCN(c2ccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKGDKTNUCYVAEK-MKICQXMISA-N", "SMILES:CN1CCN(Cc2ccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOOSFQBLEOEYSD-WGDLNXRISA-N", "SMILES:CN1CCN(c2ccccc2C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCQAGTYGCFWNEX-WGDLNXRISA-N", "SMILES:CN1CCN(Cc2ccccc2C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTJCCYWDVOCLOL-GFULKKFKSA-N", "SMILES:CN1CCN(c2cccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZQFOQHGVQHRM-GFULKKFKSA-N", "SMILES:CN1CCN(Cc2cccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCDNXFQDZTDES-MKICQXMISA-N", "SMILES:CN1CCN(c2ccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSHZNBNGZXAAFX-WGDLNXRISA-N", "SMILES:CN1CCN(Cc2ccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEUCGGVUVJTEB-BAQGIRSFSA-N", "SMILES:O=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWOWUCMNIEVEN-FUDKSRODSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGLHPUTIQOVOX-XEVVZDEMSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(C(=N)N)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEFAKYOWKPLSZ-ACRUOGEOSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMAXHSLPLMYIPN-YCVJPRETSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGMAIAXBJLVVLI-KLJDGLGGSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEEIZVYTIHJJNF-GNKBHMEESA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC1CCN(C(=N)N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVYOTGWVKLJVAP-GNKBHMEESA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZSMSSPKKYZOI-NSVAZKTRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1cccc(CNC(=N)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXHRMNYDWBUJY-NSVAZKTRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1cccc(CN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRXYDGFFQRQYDO-NSVAZKTRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(CNC(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXJPEPKSVYBKK-NSVAZKTRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQKPWYQOZKCHGU-LSQMVHIFSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKVUSVMWJCODCG-LSQMVHIFSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACPMDCNBPZRQGO-FIXSFTCYSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBZBRHTIVPDON-FIXSFTCYSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDMATJFXIYOFY-FUDKSRODSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNIYUURCQFKRCB-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1[O]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZEJOLDIQBJKQR-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23832", "category": ["biolink:ChemicalEntity"], "name": "FENAMIC ACID", "xref": ["InChIKey:ZWJINEZUASEZBH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1ccccc1"], "synonym": ["N-phenylanthranilic acid", "2-(phenylamino)benzoic acid", "2-phenylamino-benzoic acid", "Diphenylamine-2-carboxylic acid", "Fenamic acid", "NSC-215211"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL570714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOSFMPARINMQP-DRFTYPOQSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O"]}
{"name": "Threonine aspartase 1", "xref": ["CHEMBL.TARGET:CHEMBL6153"], "id": "UniProtKB:Q9H6P5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVVEBMZUCEDGA-IKIVGZGVSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C/C=C/C(C)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRVCNNYQXKWOF-NVVBWMGJSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C/C=C/S(C)(=O)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGJENVBJZQBBS-PDRFSSDASA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)C1(C)CO1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOIZGAFWGREMOD-JPCFABJLSA-N", "SMILES:[2H]O[C@@H]1CC(/C=C\\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[2H])=C(C)[C@@H](O[2H])C1"]}
{"name": "Vitamin D3 receptor", "xref": ["CHEMBL.TARGET:CHEMBL2353"], "id": "UniProtKB:O42392", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRIXGANURWCSOK-MFUDKMSVSA-N", "SMILES:CC1=C(/C=C\\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXIMRMCJVSSFB-FDTDFCBPSA-N", "SMILES:CC1=C(/C=C\\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@H](CCCO)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXLYTOWHSZWHSQ-GCFJWCLWSA-N", "SMILES:CC1=C(/C=C\\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@H](OCCCO)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJVSIPKVLHNTOB-WIPUGECPSA-N", "SMILES:CCCC[C@H]1[C@H](O)CC(/C=C\\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)=C(C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMDJNOFBEWGPQZ-DRIFVUJMSA-N", "SMILES:CC1=C(/C=C\\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@H](c2ccccc2)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL579065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVMFGMGCPCMEZ-YNBFBCMKSA-N", "SMILES:CC1=C(/C=C\\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@H](Cc2ccccc2)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFYBFRZROJDLL-XCAQJPMGSA-N", "SMILES:O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1[125I]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGHZEHHGPDTHJ-XBNSDFDCSA-N", "SMILES:C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CCC(=O)O[C@H]3C[C@H](n4cc([125I])c(=O)[nH]c4=O)O[C@@H]3CO)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYKQPBRFARZNN-XBNSDFDCSA-N", "SMILES:C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CCC(=O)O[C@H]3C[C@H](n4cc([125I])c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O)CC[C@@H]12"]}
{"name": "Sex hormone-binding globulin", "xref": ["CHEMBL.TARGET:CHEMBL1075202"], "id": "UniProtKB:P15196", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Albumin", "xref": ["CHEMBL.TARGET:CHEMBL1075271"], "id": "UniProtKB:P07724", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFOQIHIIOLBCEQ-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2cc(C)c3[nH]c(-c4c(OC)cccc4OC)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCXPRLTBMADIH-DNHGAHQASA-N", "SMILES:C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMDUJQQSGOIFW-UHFFFAOYSA-N", "SMILES:Cl.O=C(CCCCN1CCOCC1)Nc1ccc(-c2cccnc2)cc1"], "synonym": ["SEN-12333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQZRMPUTVVQKAA-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c2ccccc2n1C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXNUIBCMTKSGTM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)O)c(C)n2C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSHOCXHHNGCGBX-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNGDPBBSWNLRN-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2ccccc2n1CCN)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBCAKKETXMWBJ-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2ccccc2n1CCCN)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGSHCFMEWBTLX-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2ccccc2n1CCCCN)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYADPBAFAIELQN-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2ccccc2n1CCCCCN)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPDGRCNPREMJT-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBHJNYVOUOSQU-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2ccccc2n1CCCNC(=N)N)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEAUGYCQBOQSEI-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2ccccc2n1CCCNC(=O)C(F)(F)F)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWASOSKRUBULNA-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(C(=O)NCCN)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWLUMBYTIIJUCR-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(C(=O)NCCCN)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQVUNQPJWCYVCI-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(C(=O)NCCCCN)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMHVPDHRBQBED-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(C(=O)NCCc3cnc[nH]3)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYUJPSWCDMVEI-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(C(=O)N3CCNCC3)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNEQUZWLILAGMA-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cccc3nc(CN(C)C4CCCc5cccnc54)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLVBIDJWAJDIM-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(CN)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTWYBMMGBUMJF-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(CNCCN)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWOUHVFETOOCEE-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(CNCCc3cnc[nH]3)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTFDACOUFWRFX-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(CN3CCNCC3)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCHFSEFNDXTJDN-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(CCCN)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXSSWGGJUUVKKX-UHFFFAOYSA-N", "SMILES:CN(C)CCCc1cccc2nc(CN(C)C3CCCc4cccnc43)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFCUMHNRFWTSSD-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(CCCN3CCCC3)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKNFQYOGYHJLFR-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(CCCN3CCCCC3)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQWAUZUMZKUFF-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIVVNDNIWAQWOH-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cccc(N3CCNCC3)c2[nH]1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RARYKEKXHDOFGV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc3nc(CN(C)C4CCCc5cccnc54)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RARYKEKXHDOFGV-LJQANCHMSA-N", "SMILES:CN1CCN(c2cccc3nc(CN(C)[C@@H]4CCCc5cccnc54)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGSYGIUDPYWMV-VMXMFDLUSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCCC(=O)NO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPVWGKXIIQQBP-GDGREPIKSA-N", "SMILES:Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@](C)(/C=C/CC(C)CCCC(C)C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLQQGBFYXXLNBL-IHZSNKTASA-N", "SMILES:Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@](C)(CCCC(C)CCCC(C)C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDVMJIDNQPDDK-WOSCWDBQSA-N", "SMILES:Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@](C)(/C=C/CC(C)CCCC(C)C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLAZPRXMAUDJQB-YRNVUSSQSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)c(OC)c1"]}
{"name": "Casein kinase I isoform delta", "xref": ["CHEMBL.TARGET:CHEMBL4484"], "id": "UniProtKB:Q06486", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKDFQFEWKRBPE-YRNVUSSQSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2cc(-c3[nH]c([S+](C)[O-])nc3-c3ccc(F)cc3)ccn2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQCHMRGPCMAMAF-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)COc1cc(O)c2c(=O)c(O)c(-c3ccc4c(c3)OC(c3ccc(OCC(=O)N(CC)CC)c(OC)c3)C(CO)O4)oc2c1"]}
{"name": "Xanthine dehydrogenase/oxidase", "xref": ["CHEMBL.TARGET:CHEMBL1075246"], "id": "UniProtKB:P22985", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHRRKEWFMRTIMY-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)COc1cc(O)c2c(=O)c(O)c(-c3ccc4c(c3)OC(c3ccc(O)c(OC)c3)C(CO)O4)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDGDPJLHUMZQBN-UHFFFAOYSA-N", "SMILES:COc1cc(C2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6Cl)cc(O)c5c(=O)c4O)ccc3OC2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRQHEEXWOUGFAE-UHFFFAOYSA-N", "SMILES:COc1cc(C2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(C)cc6)cc(O)c5c(=O)c4O)ccc3OC2CO)ccc1OCC(=O)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMJPLHVXLEJDP-UHFFFAOYSA-N", "SMILES:COc1cc(C2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6)cc(O)c5c(=O)c4O)ccc3OC2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KISBLJIONNDZHV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)COc2cc(O)c3c(=O)c(O)c(-c4ccc5c(c4)OC(c4ccc(OCC(=O)Nc6ccc(OC)cc6)c(OC)c4)C(CO)O5)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQXXUJNIOAASJR-UHFFFAOYSA-N", "SMILES:COc1cc(C2Oc3cc(-c4oc5cc(OCC(=O)N6CCCC6)cc(O)c5c(=O)c4O)ccc3OC2CO)ccc1OCC(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXWKIHLFPXXKQQ-HLTSFMKQSA-N", "SMILES:Cc1cn([C@@H]2C[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGJWIFLBWJRMF-JGVFFNPUSA-N", "SMILES:Cc1cn([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL567516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIJUHQXYQFFOO-KSPAXGJSSA-N", "SMILES:C=C1C(=O)[C@]23C[C@@]1(Cl)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUCUOQHRAOQQT-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)COc2ccc(C34CC5CC(CC(C(=O)N6CCN(Cc7ccc(OC)cc7)CC6)(C5)C3)C4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCAXFAYZOFLGOH-WVUUIGOBSA-N", "SMILES:OC[C@H]1O[C@@H](S[C@@H]2CO[C@@H](OCc3ccccc3)[C@H](O)C2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"name": "Beta-galactosidase", "xref": ["CHEMBL.TARGET:CHEMBL1293264"], "id": "UniProtKB:Q8VNN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCAXFAYZOFLGOH-MWVUGINQSA-N", "SMILES:OC[C@H]1O[C@@H](S[C@@H]2CO[C@@H](OCc3ccccc3)[C@@H](O)C2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFMOPHUIDZZWJE-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccccc4N4CCN(C)CC4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221190", "category": ["biolink:ChemicalEntity"], "name": "DIPHYLLIN", "xref": ["InChIKey:VMEJANRODATDOF-UHFFFAOYSA-N", "SMILES:COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL7463", "category": ["biolink:ChemicalEntity"], "name": "GF-109203", "xref": ["InChIKey:QMGUOJYZJKLOLH-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL447878", "category": ["biolink:ChemicalEntity"], "name": "N-ACETYLGLUCOSAMINE", "xref": ["InChIKey:OVRNDRQMDRJTHS-FMDGEEDCSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O"], "synonym": ["N-acetyl glucosamine", "N-acetylglucosamine", "NSC-400525", "NSC-524344", "Bio-nag", "Greennag", "Marine sweet"], "chembl_natural_product": true}
{"name": "Putative glycosyltransferase", "synonym": ["Glycosyltransferase"], "xref": ["CHEMBL.TARGET:CHEMBL3308980"], "id": "UniProtKB:B1B4J9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:244320"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRNDRQMDRJTHS-JAJWTYFOSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL595449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILPANLYEJQKXKY-UHFFFAOYSA-N", "SMILES:CN(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)n(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13470", "category": ["biolink:ChemicalEntity"], "name": "SNC-80", "xref": ["InChIKey:KQWVAUSXZDRQPZ-UMTXDNHDSA-N", "SMILES:C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL594555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQHXJXMMDYCCRY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2nc(C=C(C#N)C#N)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZJRHAXQMHTCSW-JXMROGBWSA-N", "SMILES:CN(C)c1ccc2nc(/C=C/c3ccc(C=C(C#N)C#N)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXQBRZOHAKKTH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN1CCc3ccccc3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAVTGGGYFPSIB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN(C)C2Cc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTAAQEHLGMUIRW-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)ccc1C1Cc2ccccc2CN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKYVEEPQWZMBJJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CC1c2ccc(O)cc2CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL610449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSSDOFRDHFANX-UHFFFAOYSA-N", "SMILES:CN1CCCc2cc3c(cc2-c2ccccc2CC1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYPJQZCDRFFIJS-UHFFFAOYSA-N", "SMILES:CN1CCCc2cc(O)ccc2Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDRGVAOUBSYRSJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCN(C)Cc1ccccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATYIIXSEHMITM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCN1Cc3ccccc3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25856", "category": ["biolink:ChemicalEntity"], "name": "DIHYDREXIDINE", "xref": ["InChIKey:BGOQGUHWXBGXJW-RHSMWYFYSA-N", "SMILES:Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2"], "synonym": ["(-)-dihydrexidine", "Dar-0100a", "Dihydrexidine", "Dihydrexidine, (-)-", "Rel-dihydrexidine", "DAR-0100", "DAR0100A"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL595720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVWVAUAORDNVHV-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(O)ccc2CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNYQFGWYSVRLE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN(C)Cc1ccccc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXUOSGAFYZBCAK-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CCN1Cc3ccccc3CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRLIKWPAJQERN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN1Cc3ccccc3CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487387", "category": ["biolink:ChemicalEntity"], "name": "STEPHOLIDINE", "xref": ["InChIKey:JKPISQIIWUONPB-HNNXBMFYSA-N", "SMILES:COc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL201170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBZJKXOIQSFOA-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2Cc2ccc(O)cc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCJEKKXEJVYOB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN(C)CCc1ccccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDIBUGWHRYVFS-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CCN1CCc3ccccc3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL143273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPGUTMCAGDIPN-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1c(Br)sc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL141190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPVDBYOXXFTZQT-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1csc(C(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL142711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVDGDMQERQKOY-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1cc(Br)c(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL343821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FODULVJWIHXFJX-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1cscc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL142764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKNSKSZYVBKOO-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1ccc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRHBEDSUTAGRQV-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRREYKRLNGJKH-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)Cl)csc1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPKZLTMKAKJNMK-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CN2CCC(n3cnc4c(N5CCOCC5)nc(-c5cccc(CO)c5)nc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL59532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKDKAWKYGCUOGR-UHFFFAOYSA-N", "SMILES:Cc1sc(N)c(C(=O)c2cccc(C(F)(F)F)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL303124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEXTQZEWNFRIZ-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(Cc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZBXWXVVCGHGL-SBDBPMLYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTPEZFOPPRTOM-WIXDZJJOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL608683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTNHXNHJTUZPW-CERVLOHMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL608682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJRJHSLTPNUVGG-WIXDZJJOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593187", "category": ["biolink:ChemicalEntity"], "name": "WFVLLTITVLR", "xref": ["InChIKey:LLCMFXBYZMBYBD-FRRDDIFLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDLUVZMXJAPTJ-VWLOTQADSA-N", "SMILES:CN(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(=O)Nc1ccc(CO)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMNCKOSYQMHXPR-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2cc(Cl)ccc2OCCOCCOCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL453805", "category": ["biolink:ChemicalEntity"], "name": "PENTOSALEN", "xref": ["InChIKey:OLOOJGVNMBJLLR-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1c2occc2cc2ccc(=O)oc12"], "synonym": ["Pentosalen", "Imperatorin", "8-isoamylenoxypsoralen", "Ammidin", "Imperatorin", "Marmelosin", "NSC-402949"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL142652", "category": ["biolink:ChemicalEntity"], "name": "PICEID", "xref": ["InChIKey:HSTZMXCBWJGKHG-CUYWLFDKSA-N", "SMILES:OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Resveratrol 3-.beta.-mono-d-glucoside", "(e)-piceid", "(e)-polydatin", "Piceid", "Polydatin", "Trans-piceid", "Trans-polydatin", "Polydatin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL592969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKFSGXEZOAASR-KMWMRXANSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLZVWRXMUZKNV-RBYRPSCESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWGDHSATZQNJCF-RRYKZYCYSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1cn([C@@H]2O[C@H]([C@@H]3COC(C)(C)O3)[C@@H]3OC(C)(C)O[C@@H]32)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHTSYIUSXLBOEK-UHPBUGLWSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1cn(C[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OC(C)=O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVVUYPXNPFZCI-DENGCMKASA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1cn(C[C@H]2O[C@H](OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQEDOBRAZVYCQG-OFRLVIMRSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEDWUPJFFHILG-QMWPFBOUSA-N", "SMILES:CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRIUFVPPSHYZRM-PFHKOEEOSA-N", "SMILES:CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119709", "category": ["biolink:ChemicalEntity"], "name": "IB-MECA", "xref": ["InChIKey:HUJXGQILHAUCCV-MOROJQBDSA-N", "SMILES:CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL595382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GINJNLXGJIKTDY-UHFFFAOYSA-N", "SMILES:CC(ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(O)Nc1ccc(Cl)cc1"]}
{"name": "Guanine nucleotide-binding protein subunit alpha-12", "xref": ["CHEMBL.TARGET:CHEMBL3308913"], "id": "UniProtKB:Q03113", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAOAOVKBIIKRNL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL594153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJIIJBMBCZPSW-DTWKUNHWSA-N", "SMILES:COc1cccc2c1C(=O)C1=C(C[C@H](C)O[C@@H]1C)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL594035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUKQPYRBQFPSPL-WDEREUQCSA-N", "SMILES:COc1cc(OC)c(C(C)(C)C)c2c1C(=O)C1=C(C[C@H](C)O[C@@H]1C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDLZMTPFKNOCRC-WDEREUQCSA-N", "SMILES:C[C@H]1CC2=C(C(=O)c3cc(C(C)(C)C)ccc3C2=O)[C@@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSMYOQTRVFZER-RKDXNWHRSA-N", "SMILES:C[C@H]1O[C@@H](CC(=O)O)CC2=C1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL608117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYHYPFUGDLGQZ-PSASIEDQSA-N", "SMILES:COc1ccc2c(c1)C(=O)C1=C(C[C@H](CC(=O)O)O[C@@H]1C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOQSXSBWPABEAE-LBPRGKRZSA-N", "SMILES:CC(C)Oc1cc(OC(C)C)c2c(c1)C(=O)C1=C(CO[C@@H](C)C1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPNIUJZNXNUAM-JKYUHCHBSA-N", "SMILES:C[C@H]1CC2=C(C(=O)c3ccccc3C2=O)[C@H](O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEARLHDAXELBI-LURJTMIESA-N", "SMILES:C[C@H]1CC2=C(CO1)C(=O)c1c(O)cc(O)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNXPHSFVRRTOJM-OVZGEXIGSA-N", "SMILES:C[C@H]1CC2=C(C(=O)c3c(O)cc(O)cc3C2=O)[C@H](O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL609285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOHGULAZSZLZHM-QMMMGPOBSA-N", "SMILES:COc1cc(OC)c2c(c1)C(=O)C1=C(CO[C@@H](C)C1)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL594259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFNNECVFPZCUIB-DTWKUNHWSA-N", "SMILES:COc1cc(OC)c2c(c1)C(=O)C1=C(C2=O)[C@@H](C)O[C@@H](C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL594258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISJNJGFKNRWOY-ZETCQYMHSA-N", "SMILES:COc1cc(O)c2c(c1)C(=O)C1=C(CO[C@@H](C)C1)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL594257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGGDQGPILKTQU-JGVFFNPUSA-N", "SMILES:COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](C)O[C@@H](C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL594380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCSFOBYTJBFFN-BDAKNGLRSA-N", "SMILES:C[C@@H]1CC2=C(C(=O)c3ccccc3C2=O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCSFOBYTJBFFN-DTWKUNHWSA-N", "SMILES:C[C@H]1CC2=C(C(=O)c3ccccc3C2=O)[C@@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEBHGFEKAUPBT-JGVFFNPUSA-N", "SMILES:C[C@H]1CC2=C(C(=O)c3c(O)cccc3C2=O)[C@@H](C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL611642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDUKVYWAUXIDG-DGXZECCPSA-N", "SMILES:O=C(O)C(C[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O"]}
{"name": "Mannose-6-phosphate isomerase", "xref": ["CHEMBL.TARGET:CHEMBL3309019"], "id": "UniProtKB:P00946", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Mannose-6-phosphate isomerase", "xref": ["CHEMBL.TARGET:CHEMBL3308954"], "id": "UniProtKB:P29952", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVOFSSVDBVXAGX-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIMHDBDMKDNVCC-UHFFFAOYSA-N", "SMILES:O=C(O)CN1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGKLOLOFAPWKR-UHFFFAOYSA-N", "SMILES:CC(=O)COc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604682", "category": ["biolink:ChemicalEntity"], "name": "PIPERKADSIN C", "xref": ["InChIKey:NOXNHMNKQIHADP-PWIZWCRZSA-N", "SMILES:C=CCC1=CC2=C(OC)[C@H](C1=O)[C@]2(C)[C@H](O)c1ccc2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL593668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWOUNDYQOLAVJD-LIPOWBQWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKLNRWKIIWRYQY-WIDFDPIRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAQDVCNDBVGQTB-GIWFOOJOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENNRLUEVVHIHB-ILSFCJBJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSIIIPQXJKLXML-ZFNTWAKESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRJSWUKMRFVLS-SAXXBWJFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKONISRGKQFZPA-GIWFOOJOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROSSISURXRXCT-FLMWBLAISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJOBTMHLMQBFT-FAWUNYRSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCIFFKOZGIXIW-FWEHEUNISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAPXEVIWZBWNJ-FLMWBLAISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOQPEKNHWXSKJ-XLPZGREQSA-N", "SMILES:Cc1cn([C@H]2C[C@H](NC(=O)C(=O)O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJFBSROVXQKFQ-UHFFFAOYSA-N", "SMILES:c1cc2c(nc1N1CCNCC1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVNMEZPZXJOIW-UHFFFAOYSA-N", "SMILES:CCc1ccc(OCCCC(O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1"]}
{"name": "NAD-dependent histone deacetylase SIR2", "xref": ["CHEMBL.TARGET:CHEMBL3275"], "id": "UniProtKB:P06700", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMNYVASLMSOSFP-UHFFFAOYSA-N", "SMILES:O=C(O)CCN1Cc2ccccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL594863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYAKMBEQSGVBU-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)c(O)c(Cc2c(O)c(Cl)cc(Cl)c2Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONSLZBDHTXNFTN-MIUGBVLSSA-N", "SMILES:C#CCOc1ccc(C(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISWDTKRAKJESLP-PEISPCAHSA-N", "SMILES:C#CCOc1ccc(C(=O)c2ccc(C(=O)NCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAWCULUAQOJFJX-HGIWEUDGSA-N", "SMILES:C#CCOc1ccc(C(=O)CCC(=O)NCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFGMMHKHNXQAF-HNNXBMFYSA-N", "SMILES:N[C@@H](Cc1c(C(=O)O)noc1CCc1ccc2ccccc2c1)C(=O)O"]}
{"name": "Cystine/glutamate transporter", "xref": ["CHEMBL.TARGET:CHEMBL1075149"], "id": "UniProtKB:Q9UPY5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEOQOXTVHGIFQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL589370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQNAQOYOSRJXFZ-UHFFFAOYSA-N", "SMILES:Nc1cccc2c(S(=O)(=O)O)cccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL188762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPUZEMRHDROEO-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL553", "category": ["biolink:ChemicalEntity"], "name": "ERLOTINIB", "xref": ["InChIKey:AAKJLRGGTJKAMG-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1"], "synonym": ["Erlotinib", "Erlotinib", "Erlotinib", "Erlotinib", "Erlotinib", "CP-358,774", "CP-358774", "CP-35877401", "R-1415", "RG-1415", "Ro-508231"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL590559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLWRCYQROACQNJ-UHFFFAOYSA-N", "SMILES:C=C=CCCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNGTVKLEDZVBQG-UHFFFAOYSA-N", "SMILES:C#CCCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSLQDKGPPYGOY-UHFFFAOYSA-N", "SMILES:C=C=CCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVCNTKKXWSHFC-UHFFFAOYSA-N", "SMILES:C#CCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDGOWZVXDRCAT-UHFFFAOYSA-N", "SMILES:C=C=CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKACQQCRSOUHL-UHFFFAOYSA-N", "SMILES:C#CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNHQWMHDORVBC-UHFFFAOYSA-N", "SMILES:C=C=CCCCOc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHLKTDQPSGRIAY-UHFFFAOYSA-N", "SMILES:C#CCCCOc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBKVVLEGYLFLZ-UHFFFAOYSA-N", "SMILES:C=C=CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCPPIWXNTVLCAK-UHFFFAOYSA-N", "SMILES:C#CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL609321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCAJGIOGMEMOW-UHFFFAOYSA-N", "SMILES:C=C=CCOc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBACAQZZINXVMK-UHFFFAOYSA-N", "SMILES:C#CCOc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNFFJMAVRCTRS-UHFFFAOYSA-N", "SMILES:CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21"]}
{"name": "dTDP-4-dehydrorhamnose 3,5-epimerase", "xref": ["CHEMBL.TARGET:CHEMBL4105851"], "id": "UniProtKB:P9WH10", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83331"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12089", "category": ["biolink:ChemicalEntity"], "name": "BERBERINE CHLORIDE", "xref": ["InChIKey:VKJGBAJNNALVAV-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]"], "synonym": ["Berberine chloride", "Berberine hydrochloride", "Berberinum", "GNF-Pf-4545", "NSC-163088", "NSC-646666", "Berberine chloride"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL602861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGAFBRYQCWMODS-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCCCCOc1ccccc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"name": "Cholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL5763"], "id": "UniProtKB:P81908", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9796"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGIFCCDXPXCPKK-LEWJYISDSA-N", "SMILES:O=C(Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)[C@@H]1O[C@H]1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPAIZRZTFRDJHV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2ccc(-c3ccc(F)c(Cl)c3)cc2)csc1NC(=O)c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTISQHZPQUEIPS-UHFFFAOYSA-N", "SMILES:CCc1oc2cc(S(=O)(=O)Nc3nccs3)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590884", "category": ["biolink:ChemicalEntity"], "name": "CYCLOPENTYL PALMITATE", "xref": ["InChIKey:BIUHJRCKXQFHTJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC1CCCC1"]}
{"name": "N-acylethanolamine-hydrolyzing acid amidase", "xref": ["CHEMBL.TARGET:CHEMBL4349"], "id": "UniProtKB:Q02083", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEKVEQDEUJPTD-AWEZNQCLSA-N", "SMILES:CC1(C)C=Cc2c(ccc3c2OC[C@@H](c2cc(C=O)c(O)cc2O)C3)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL599166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLEWMHCSJWMRAU-VQTJNVASSA-N", "SMILES:CC(C)=CCc1cc([C@H]2Oc3cc(O)ccc3C(=O)[C@@H]2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL141530", "category": ["biolink:ChemicalEntity"], "name": "ECHINATIN", "xref": ["InChIKey:QJKMIJNRNRLQSS-WEVVVXLNSA-N", "SMILES:COc1cc(O)ccc1/C=C/C(=O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL592625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPRVJOGZFPVPRP-JTQLQIEISA-N", "SMILES:COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL606241", "category": ["biolink:ChemicalEntity"], "name": "KANZONOL X", "xref": ["InChIKey:KZTSESJJLOEXBX-SFHVURJKSA-N", "SMILES:CC(C)=CCc1c(O)ccc([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL591772", "category": ["biolink:ChemicalEntity"], "name": "KANZONOL W", "xref": ["InChIKey:VFIXONREXXFDQV-UHFFFAOYSA-N", "SMILES:CC1(C)C=Cc2c(ccc3cc(-c4ccc(O)cc4O)c(=O)oc23)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL591773", "category": ["biolink:ChemicalEntity"], "name": "SHINPTEROCARPIN", "xref": ["InChIKey:QGPHRCQDTPCIQI-KXBFYZLASA-N", "SMILES:CC1(C)C=Cc2c(ccc3c2OC[C@H]2c4ccc(O)cc4O[C@@H]32)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL506929", "category": ["biolink:ChemicalEntity"], "name": "LICOFLAVANONE A", "xref": ["InChIKey:HJGURBGBPIKRER-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc2c(=O)cc(-c3ccc(O)cc3)oc2cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL462721", "category": ["biolink:ChemicalEntity"], "name": "GLABROL", "xref": ["InChIKey:CUFAXDWQDQQKFF-DEOSSOPVSA-N", "SMILES:CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL590635", "category": ["biolink:ChemicalEntity"], "name": "SHINFLAVANONE", "xref": ["InChIKey:NEIURIYDQMKXIG-QHCPKHFHSA-N", "SMILES:CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)C=CC(C)(C)O4)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL590636", "category": ["biolink:ChemicalEntity"], "name": "GANCAONIN L", "xref": ["InChIKey:WSOHPJFMARQRFD-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)c(O)c3)coc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL600457", "category": ["biolink:ChemicalEntity"], "name": "GLABRONE", "xref": ["InChIKey:COLMVFWKLOZOOP-UHFFFAOYSA-N", "SMILES:CC1(C)C=Cc2c(ccc(-c3coc4cc(O)ccc4c3=O)c2O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL598639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXCTXMBVBONDPQ-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1Cn1ccnc1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWMWPZEFXRERA-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1CN(C)CCN(C)C)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLNFIXOPOZENE-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQVSUBEOBRCGM-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1C)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDREMZQGAILJU-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c(c2cc1OC)Cc1cc2c(cc1-3)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL599656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRTLWRRFVSDKMV-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1CN(C)C)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBRQXJRYQHZOC-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1CN1CCCC1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXPPKKWNBYCESE-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1CN1CCN(C)CC1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQZQJAFHKQUTL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2c(F)ccc(F)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTGPVPWURYYDMO-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRZWXKGDPAZBLF-ZLSCOBDWSA-N", "SMILES:COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL610061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIPZJFQEWTNSN-GSXHZGFFSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL384200", "category": ["biolink:ChemicalEntity"], "name": "RGI-7000", "xref": ["InChIKey:VQFKFAKEUMHBLV-BYSUZVQFSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC"], "synonym": [".alpha.-galcer", "Alpha-galactosylceramide", "Krn7000", "Rgi-7000", "AGL-582", "KRN-7000", "KRN7000", "RGI-7000"], "chembl_natural_product": true}
{"name": "Antigen-presenting glycoprotein CD1d", "xref": ["CHEMBL.TARGET:CHEMBL1649053"], "id": "UniProtKB:P15813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQIHBKWDQWOLD-KCUMKXKPSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIUCZFOCUKYLRK-VZLADIQQSA-N", "SMILES:CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRFIKUZMLUSGB-RQMBPRHHSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)CCCCCCCCCCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL589104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKRBUINEYXFMSU-IFGMCYAGSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CCCCCCCCCCCCCCCC)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXFPLFQNOUQCCK-OOHGLUKOSA-N", "SMILES:CCCCCCCCCCCCCCC[C@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQBFPBNRIZPQU-PYBOHHRDSA-N", "SMILES:CCCCCCCCCCCCCCCC[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQIHBKWDQWOLD-FPEIYDPGSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCKKPHWMFYONV-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)CC(C(=O)Nc2ccccc2)n2ccnc2)c(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQINMHHASKUOX-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)CC(C(=O)Nc2ccccc2)N2CCOCC2)c(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKKSQILGDOGRI-UHFFFAOYSA-N", "SMILES:CCN1CN(C(C(=O)Nc2ccccc2NC(=O)OCC(C)C)C(=O)c2ccccc2)S(=O)(=O)N1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600614", "category": ["biolink:ChemicalEntity"], "name": "TORMENTIC ACID METHYL ESTER", "xref": ["InChIKey:RQWXHGLRDYGNGZ-BPKREVGBSA-N", "SMILES:COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL36715", "category": ["biolink:ChemicalEntity"], "name": "PIRACETAM", "xref": ["InChIKey:GMZVRMREEHBGGF-UHFFFAOYSA-N", "SMILES:NC(=O)CN1CCCC1=O"], "synonym": ["Piracetam", "Piracetam", "Piracetam", "Piracetam", "Piracetam", "Piracetam", "Myocalm", "Piracetam", "CL-871", "NSC-758191", "Gabacet", "Nootrop", "Nootrop 1200", "Nootrop 400", "Nootrop 800", "Nootropil", "Piracetam"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL597182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFOYMSRCBLLQKN-ZMBZQWDFSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@@H]4C[C@@H](CC(C)(C)O)CO4)CC[C@@H]23)C[C@@H](O)[C@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATFAFAWIWHLMR-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccccc2)c(-c2cn(CCC(=O)Nc3ccc(-c4ccccc4)cc3)nn2)c2cc(C(=O)O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL612137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKCBBFUAFHUPJE-UHFFFAOYSA-N", "SMILES:O=C(CC(Nc1ccc(Oc2cc(NC(=O)N3CCCC3)ncn2)c(F)c1)C(F)(F)F)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL610504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZUHTVHAMBNDQ-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2ccc(Nc3ccc(I)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNMDQIVHQBLBMU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRSNSJHBRDLJD-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2ccc(Nc3ccc(Br)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUYORWPOJLGFB-UFZJWJAXSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N"], "chembl_natural_product": true}
{"name": "Protein phosphatase 1A", "xref": ["CHEMBL.TARGET:CHEMBL3309056"], "id": "UniProtKB:P49443", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34412", "category": ["biolink:ChemicalEntity"], "name": "LOMETREXOL", "xref": ["InChIKey:ZUQBAQVRAURMCL-DOMZBBRYSA-N", "SMILES:Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2"], "synonym": ["Lometrexol", "Lometrexol", "Lometrexol", "LY264618"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL592161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDKNQFAUBXWTLE-RKGOQNIXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)c1cnccn1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL606394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCSTPSWJFWZHP-FXINVCJKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL579296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVMFLLQZEBCPKK-MMTMAMTESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)c1cnccn1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"name": "Proline-rich AKT1 substrate 1", "xref": ["CHEMBL.TARGET:CHEMBL1255161"], "id": "UniProtKB:Q96B36", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJNSTZRDHBKZKD-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccs3)c(-c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500468", "category": ["biolink:ChemicalEntity"], "name": "GHRELIN", "xref": ["InChIKey:JSRSZGUKOAXAJV-MXAPAKLGSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O"], "synonym": ["Lenomorelin", "Human ghrelin", "Ghrelin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDZVYIETMKGIY-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)C12CC3CC(CC(C3)C1)C2"]}
{"name": "Serotransferrin", "xref": ["CHEMBL.TARGET:CHEMBL4865"], "id": "UniProtKB:P02787", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJVCUINWYSXTQ-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPJRIJDMCPRRY-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)COc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXJFHVILPRXSAD-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFAUREOOURUGSY-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJKQEGLZEOPZNY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(OCc3cccc(C(F)(F)F)c3)n2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVMGVIPMZLFEU-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(OCc3cccc(Cl)c3)n2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHDRUZMSNNLQV-XCBZGROMSA-N", "SMILES:CSc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULUMTYRKOVZPNM-JXOAFFINSA-N", "SMILES:COc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503044", "category": ["biolink:ChemicalEntity"], "name": "TOOSENDANIN", "xref": ["InChIKey:NAHTXVIXCMUDLF-RFNFAWMESA-N", "SMILES:CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321"], "chembl_natural_product": true}
{"name": "Botulinum neurotoxin type A", "xref": ["CHEMBL.TARGET:CHEMBL5344"], "id": "UniProtKB:P0DPI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:441771"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFDPEYHDOTAOT-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccccc2F)sc2nc3c(cc12)C(=O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCIKPGUSEZZDGL-UHFFFAOYSA-N", "SMILES:CN1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPIENYANGOGFV-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc(Nc2ncnc3cc4c(cc23)OCCCO4)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCCWSNOHCJZPEY-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(Nc2ncnc3cc4c(cc23)OCCCO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGZZNCQVJKKSFN-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncnc3cc4c(cc23)OCCCO4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTIAIKWINXFRR-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2ncnc3cc4c(cc23)OCCCO4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIQRXCFWIMBTPK-UHFFFAOYSA-N", "SMILES:Cl.Fc1cc(Br)ccc1Nc1ncnc2cc3c(cc12)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJBQVYGKNIWHV-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL605995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXCSMALWBAIHK-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUBENZFADFMGV-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGYGFDHOUXZNT-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(Nc2ncnc3cc4c(cc23)OCO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQWIKUXWKWECAP-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncnc3cc4c(cc23)OCO4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKDSKLCZVNKRDF-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2ncnc3cc4c(cc23)OCO4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOLSEKSFVMGHDV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592862", "category": ["biolink:ChemicalEntity"], "name": "DIAZIRINE", "xref": ["InChIKey:OUCQXMCHXQAMMH-LVEBQJTPSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(C5(C(F)(F)F)N=N5)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUYVDHHSNTWCBC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OC(=O)C(C)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427526", "category": ["biolink:ChemicalEntity"], "name": "(R)-IBUPROPHEN", "xref": ["InChIKey:HEFNNWSXXWATRW-SNVBAGLBSA-N", "SMILES:CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1"], "synonym": ["(r)-ibuprophen"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3084719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVAXVSGNNKWEZ-QEIWAGNOSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(NCC(=O)NCCCn3nc(C(=O)N[C@H]4C[C@H]5CCC[C@@H](C4)N5C)c4ccccc43)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOBABILSRPNHR-UHFFFAOYSA-M", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Nc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O.[Na+]"]}
{"name": "5'-nucleotidase", "xref": ["CHEMBL.TARGET:CHEMBL1075214"], "id": "UniProtKB:P21588", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALGBAFAQEQIPEW-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2=NN(C(=S)Nc3ccccc3)C(c3cccs3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYWKLFQWWAMKY-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)CC2c2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQOTYNBNCAALK-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)CC2c2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDUHLXBAKDCFL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)CC1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIMQQTPMGYOWGH-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)CC1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDSDKINEJPCTC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)CC2c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUZBEPRONRVQZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)CC2c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXSMJDNZJRHNMY-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2=NN(C(=S)Nc3ccccc3)C(c3ccco3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZSTDUOROGWEN-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)CC2c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGDKIUHRSXAHN-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)CC2c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBJDMCMULVGCP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)CC1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPQWKZCHJRSZMR-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)CC1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOGGWQWGYBSDX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)CC2c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJDIIHISGDZNL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)CC2c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXLJNTGPMJQXJR-DAXSKMNVSA-N", "SMILES:CC(=O)NN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S"]}
{"name": "LL-diaminopimelate aminotransferase, chloroplastic", "xref": ["CHEMBL.TARGET:CHEMBL3308984"], "id": "UniProtKB:Q93ZN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWBXJZTLMBGAY-UHFFFAOYSA-N", "SMILES:Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROHQDSVKFWJZIR-BOPFTXTBSA-N", "SMILES:CCN1C(=O)/C(=C/c2cc(Cc3ccccc3Cl)ccc2O)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3144829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXZTQYXFOKVQP-UHFFFAOYSA-N", "SMILES:Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(C)C(=O)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZWCFCXUHQNSA-XMHGGMMESA-N", "SMILES:O=C1OC(c2ccccc2)=C/C1=N\\Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQJYEGZBFIIBQT-JWGURIENSA-N", "SMILES:O=C(Cn1c(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc2ccccc21)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHZDTLNANKVCV-OGBFJMLUSA-N", "SMILES:COc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N/N=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL610447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAEADLYMDBALSZ-GRMYTIJRSA-N", "SMILES:COc1ccc(/C=N/NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL236709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OISKFAFOKMNXNK-UHFFFAOYSA-N", "SMILES:Nc1nc2c(CCCCC(F)(F)P(=O)(O)O)c[nH]c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCVVWJNRODQABK-UHFFFAOYSA-N", "SMILES:NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNHBLPQCXVRFDT-LJQANCHMSA-N", "SMILES:CC(C)Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUNSPZQENPTOE-GOSISDBHSA-N", "SMILES:CC(C)n1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL605971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUNJSZUSKBJRIJ-MRXNPFEDSA-N", "SMILES:Cn1nc2ccc(N3CC[C@@H](N)C3)cc2c1S(=O)(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGOLTQIWMDMFNL-LJQANCHMSA-N", "SMILES:CC(C)Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVKMRYWPVDPHU-GOSISDBHSA-N", "SMILES:CC(C)n1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLYNJLTUMIKJZ-MRXNPFEDSA-N", "SMILES:Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cc(N3CC[C@@H](N)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEIHMYSULIEAK-SFHVURJKSA-N", "SMILES:CN(C)[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEIHMYSULIEAK-GOSISDBHSA-N", "SMILES:CN(C)[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEENLCMAOCPFKF-UHFFFAOYSA-N", "SMILES:NC1CN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPTAOWZLDMSBKX-OAHLLOKOSA-N", "SMILES:N[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPTAOWZLDMSBKX-HNNXBMFYSA-N", "SMILES:N[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL606401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVYWFPZSGMNWAR-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCC(N)CC4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFZPYOASMMLHOZ-UHFFFAOYSA-N", "SMILES:NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWJNOFKAYZXFU-UHFFFAOYSA-N", "SMILES:NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5c(Cl)cccc45)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPGYFXCMLCVHY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCC(N)CC4)cc23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYOYEIIOGFLVQY-UHFFFAOYSA-N", "SMILES:NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccc5ccccc5c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWNNODZIUATCP-UHFFFAOYSA-N", "SMILES:CCCCCCCCNc1ccc2c3c(cccc13)C(=O)N(CCCN1CCN(C)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SATGSKMWRADRHF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPJMZTUZTZFCL-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPZMHALCGZHRB-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCN1C(=O)c2cccc3c(NCCN4CCN(C)CC4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKLVCOVVRXFALT-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1C(=O)c2cccc3c(NCCN4CCN(C)CC4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLADPERZHONSFK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNc1ccc2c3c(cccc13)C(=O)N(CCCNCCN(C)C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNMCBQIWGIXHC-UHFFFAOYSA-N", "SMILES:CCCCCCCCNc1ccc2c3c(cccc13)C(=O)N(CCCNCCN(C)C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSDCFXXDBECLI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNc1ccc2c3c(cccc13)C(=O)N(CCCN1CCN(C)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANMQRSNMHKZCR-BKUYFWCQSA-N", "SMILES:CC1(CN2C(=O)S/C(=C\\c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)cc3)C2=O)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLSQKHQZWSPLG-PTNGSMBKSA-N", "SMILES:CC1(COc2ccc(/C=C3\\SC(O)=NC3=O)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYDJHCKYSXRFBE-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2c(c1)nc(NCCCNCCCNc1nc3ccccc3c3[nH]c4ccccc4c13)c1c3ccccc3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL345124", "category": ["biolink:ChemicalEntity"], "name": "PROPIDIUM", "xref": ["InChIKey:XJMOSONTPMZWPB-UHFFFAOYSA-M", "SMILES:CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRQZMRHGRBHVRW-BAQGIRSFSA-N", "SMILES:COc1cc(Br)cc(/C=C2\\SC(=O)NC2=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL605824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQXSEHDYYUTOPV-UHFFFAOYSA-N", "SMILES:CC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc21)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJSNBRRNAZSDA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c(C)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UINLHXOQEZLAPM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1cc(O)c(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL606454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPLFFGCTRZWBOB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c(C)c(OCc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590522", "category": ["biolink:ChemicalEntity"], "name": "MAHANINE", "xref": ["InChIKey:UKLOEFBVUZOVRX-INIZCTEOSA-N", "SMILES:CC(C)=CCC[C@H]1C=Cc2c(c(C)cc3c2[nH]c2cc(O)ccc23)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL589775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPANLUNLYVYBCH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c(C)c(OS(=O)(=O)c3cccc4c(N(C)C)cccc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1788121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTAUNFPOYWHBC-CXFMBIAKSA-N", "SMILES:[3H]N(c1ccc(-c2nc3ccc(O)cc3s2)cn1)C([3H])([3H])[3H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1744461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNSCAJTQCLVNR-CXFMBIAKSA-N", "SMILES:[3H]N(c1ccc(-c2nc3ccc(O)cc3o2)cn1)C([3H])([3H])[3H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AECPKRTWJIYTIZ-LBPRGKRZSA-N", "SMILES:N#C[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1"]}
{"name": "Metacaspase-3", "xref": ["CHEMBL.TARGET:CHEMBL1075156"], "id": "UniProtKB:Q8T8E6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOODJEVVNUVSDK-INIZCTEOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTXDKYPMIFJCR-KRWDZBQOSA-N", "SMILES:Cn1c(C(=O)[C@H](CCCNC(=N)N)NC(=O)OCc2ccccc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULRSTQYXIYZVRL-ZDUSSCGKSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVXXVPKMQFKNHO-INIZCTEOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBHBALGCRCAEBS-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)OCC(c1nc3ccc(-c4ccncc4)cc3[nH]1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPKDUCXKUGLED-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccncc2)cc2[nH]c(C3COc4ccccc4O3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYWHCXCJACQAC-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc2nc(C3COc4ccccc4O3)[nH]c2cc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDUZZHCDWVPIF-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccncc2)cc2[nH]c(C3COc4ccccc4O3)nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJUMLWNSGFXRJ-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CC(c1nc3ccc(-c4ccncc4)cc3[nH]1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKDIJCUOOMWYEL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(c1nc3c(OCCN(C)C)cc(-c4ccncc4)cc3[nH]1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STPFGQURZYCKNK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(c1nc3c(OCCCO)cc(-c4ccncc4)cc3[nH]1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBAPYGVRCEGCL-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccncc2)ccc2nc(C3COc4ccccc4C3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOHYKYMEPUDPBV-UHFFFAOYSA-N", "SMILES:Cn1c(C2COc3ccccc3O2)nc2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUZJRALYLDHKLP-UHFFFAOYSA-N", "SMILES:Cn1c(C2COc3ccccc3O2)nc2cc(-c3ccncc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRUXJXXEIVCNEG-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)OCC(c1nc3ccc(-c4ccncc4)cc3n1CC1CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYIWQMBECATQF-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2c(C3COc4ccccc4O3)nc3ccc(-c4ccncc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRZQPGSDPOHFI-UHFFFAOYSA-N", "SMILES:c1ccc(CCn2c(C3COc4ccccc4O3)nc3ccc(-c4ccncc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCGYPNUTYUCIS-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)OCC(c1nc3ccc(-c4ccncc4)cc3n1CCN1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIUQXBPYBQQNJ-UHFFFAOYSA-N", "SMILES:COCCn1c(C2COc3ccccc3O2)nc2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1081324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXPWRBSZPVHCNE-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)OCC(c1nc3ccc(-c4ccncc4)cc3n1C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTSKBBSMJXJHZ-XUCYLINBSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCSCCCCCS[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](COCc9ccc%10ccccc%10c9)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHUOHFLZSWFIRL-QNTQFVHSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2368728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVOAJBWBUARQHH-RJHMNDKOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROXGSDWUESCLNH-VQYKLFNQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBIIYQPEKGFOC-DCJGIUALSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCZVYNVJYVRECX-WERMSNBJSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFVCGZDQVQKRI-XBTCIWLOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQBNBHQUDQMRC-NULPCBIGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWFJLUOKCDJLG-LCBNZQGBSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHHWSRBKZFHQY-NVLKOTPXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUKQGDVWNFBBD-RRWJPNFGSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWOBFWMRJIDPQN-HSPPUNEDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWGOFHBPYLKSLD-HYKGMEJBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1075633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPPFQDOUZUMNP-LDAKZRKGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCSGWQLXQPXDK-CDIQKKNYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USQWGUPMZIBBTK-LNHNSWBASA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPHVBFHKCXTPM-SBNRTWEISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHWWKCXTHXYLLC-OYFUFABZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPIMAZKEGYPSK-MKSKVKNUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGXWIEQBYUQBHB-HRDGEXJPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUJPJATMLFWML-BOPIQJLSSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNCDKHOAGUNNJ-XVVQYBPSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJWJEWRHKLEEX-BYFAQBFLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKMSPTHCCCVYRT-VEEXAELSSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJHVBVXOUITEBR-QJUNCNRWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLOSIAHCYBMGD-FGBCHVLGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLHUXCPQMMCCGT-IEVFCMRTSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHUDCBVGDJCROO-VBRODDPGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNAQFPRIMBRWMP-JAVDLZPMSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEUCCHYHCMTGQ-OZRIKPKOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOURQHNZGWQSDG-DVMPTMHRSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIUFCIEVJCEHD-COQPVJQYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSCRSMCRBCJJGF-QGVHCFRKSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUTNQEZARKMUPO-OAZOAUMMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMLGJVIDZZHJI-DXBSPXASSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYHHXSRQYZLTCY-WEJOOCBQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQSNDLYIJBCSX-GVSHOEPASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXBGNVQWXPGFIA-PVYYOWSZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEPNXJOXEGGICV-WJFUZPJBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQFOTUSAQLRTEE-XTIPDJFKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDYIPKKIKVPGS-HMOIZQGYSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDANPJMPAKKRBG-URODQFKZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOXODJBMMCZGRW-OATNPKBHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQXMZQWAPYMRAQ-CYSLRXMKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGQCAYSOSWZOGA-MTWPMERQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYAZBKLRMBSEH-OLGGYHISSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPYULRHUSSEJK-OQNUDYLKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDPNHVIJOKGEK-AYAGQKHRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSTDDIBRDVRGAV-GGHHXLMMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBUEOSYRRYMBC-CNUFYRSXSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZHSNSLYBORZLI-OZAOZLKDSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCEYVQJHAJGATA-ZPRGDDEXSA-N", "SMILES:CC(=O)O[C@@]12[C@H](OC(=O)[C@H](C(C)C)N(C)C)[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@H]3[C@@H]1C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL502495", "category": ["biolink:ChemicalEntity"], "name": "TETRADECANOYL PHORBOL ACETATE", "xref": ["InChIKey:VAIYGYMQYFLHTM-SKTVXCILSA-N", "SMILES:CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)[C@H](O)C(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL500387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCEYVQJHAJGATA-MBCQSGEESA-N", "SMILES:CC(=O)O[C@@]12[C@H](OC(=O)[C@@H](C(C)C)N(C)C)[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@H]3[C@@H]1C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1077246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDUZQBGAWITQCE-BCGXKAQISA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](C)C(=O)NCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPYVLWSSXTFAP-AHQKTGLVSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)OC(=O)CCCCCCCCCCCCCCC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJMCVPHFPRWDP-RNBZATNDSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(=O)N[C@@H](C)C(=O)NCC(=O)O)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQFVJZZNNNICFT-GXHPXVBHSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)NCCSSCCNC(=O)CNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)OC(=O)CCCCCCCCCCCCCCC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1087300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSXGPWPTXORIBR-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2Cc2c[nH]c3cccc(c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGUGVHWYBXLRK-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCN1Cc3cccc4[nH]cc(c34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1087301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMMDQPIVHDAPZ-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOVIKQWJNPOZRM-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCN1CCc3cccc4[nH]cc(c34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVOQFDZLRUOCJ-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCN1CCc3[nH]c4ccccc4c3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKPRPQRMUVZMA-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2Cc2c[nH]c3cccc(c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXRBXVOEXWCQBX-ZHACJKMWSA-N", "SMILES:O=c1c(/C=C/c2ccccc2Cl)c(N2CCN(Cc3ccccc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMLZJKHNRBRNT-ZRDIBKRKSA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)c1ccc(NC2CCCCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUXOCPKISVWAGB-UHFFFAOYSA-N", "SMILES:O=C(CCc1nc(-c2ccc(O)cn2)no1)Nc1ccccc1C(=O)O"]}
{"name": "Hydroxycarboxylic acid receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4420"], "id": "UniProtKB:Q9EP66", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBCKBVSSSDGAB-UHFFFAOYSA-N", "SMILES:CC(Cc1nc(-c2ccc(O)cn2)no1)C(=O)NC1=C(C(=O)O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1087302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSICSVCKHDCRGR-UHFFFAOYSA-N", "SMILES:O=C(CCc1nc(-c2ccc(O)cn2)no1)NC1=C(C(=O)O)CCCC1"]}
{"name": "Hydroxycarboxylic acid receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4731"], "id": "UniProtKB:Q80Z39", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMHPVXOKHPCMF-FQEVSTJZSA-N", "SMILES:N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL394880", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYLENASTRON", "xref": ["InChIKey:RUOOPLOUUAYNPY-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)NC(=S)NC2c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKQWJYIVJXTHY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUFXVJXYLAVEN-AWDFDDCISA-N", "SMILES:CSc1cccc(N(C)C(=N)Nc2cc(SCC[18F])ccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFEMKOUUPCFITA-UHFFFAOYSA-N", "SMILES:Nc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1F"]}
{"name": "Thymidine phosphorylase", "xref": ["CHEMBL.TARGET:CHEMBL3726"], "id": "UniProtKB:P07650", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYKODMJEDORBIO-ZMBGXRJSSA-N", "SMILES:CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc([125I])cc1)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLCWEVONXGMYAM-FHKMZPEKSA-N", "SMILES:CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc([125I])cc1)C(=O)N[C@@H](Cc1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDNOEGZGMJWFW-GOIJSHFGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc([125I])cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMSAAVCOQMHSM-JRWXUZGMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc([125I])cc1)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDDFQTZYGVFHQG-NYKLTOECSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc([125I])cc1)NC(=O)[C@H](Cc1ccc(C2(C(F)(F)F)N=N2)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQJNNEBUDDYROC-QSAUTINDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc([125I])cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(C(=O)c2ccccc2)cc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDZPSTWJVCWFR-BTEWUGPRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc([125I])cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(C2(C(F)(F)F)N=N2)cc1)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNWPDVTXMDCHR-PYRLQILWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(C2(C(F)(F)F)N=N2)cc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXRVAHMUUBZAPK-RUFDXANVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANMQZMQGQLRSI-LTTXXCTBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(C2(C(F)(F)F)N=N2)cc1)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPYRQDCPZQEBX-LWJOARRHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(C(=O)c2ccccc2)cc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBUUAFJDOTEBS-AAVPAQJNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXNIGPMZOUUXMA-FSKISDTGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLIEFKCEBMVHX-YUDJOFGFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(C2(C(F)(F)F)N=N2)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAYKLRIAQENCG-NLHFOPIXSA-N", "SMILES:CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNWKXBZXLCHRMD-PSTHHSQNSA-N", "SMILES:CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFFBSGNHFWVHTQ-NTABMFKRSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)[C@@H](OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(=O)(S)OCC(O)COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCSLOZUIBXKAAQ-NTABMFKRSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)[C@@H](OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(=O)(S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3OP(=O)(S)OCC(O)COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZJXMAHWJSYRD-VHPHYPQQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CC[C@@H]([C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC)C(C)C"]}
{"name": "DNA-binding protein inhibitor ID-1", "xref": ["CHEMBL.TARGET:CHEMBL1075116"], "id": "UniProtKB:P41134", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077759", "category": ["biolink:ChemicalEntity"], "name": "GRACILIN J", "xref": ["InChIKey:NMUUJHGEYJKFAT-CARDQYAASA-N", "SMILES:CC(=O)O[C@H]1O[C@H]2O[C@H]3OC(=O)/C(=C\\CC4(OC(C)=O)CCCC(C)(C)C4)[C@H]3[C@H]2[C@@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL449214", "category": ["biolink:ChemicalEntity"], "name": "GRACILIN A", "xref": ["InChIKey:APJJJQRQXHYHMQ-WQFOLUMZSA-N", "SMILES:C/C=C1\\C([C@@]2(C)CCCC(C)(C)C2)=CC[C@H]2[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1077773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYEXPFKXURJWNG-MEYBLWIUSA-N", "SMILES:CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@H](C)C3=C([C@@]4(C)CCCC(C)(C)C4)CC[C@@H]1[C@H]32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1078000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPAWZAVNLSHCSY-MFSWYNMTSA-N", "SMILES:CCCC(=O)OC[C@H]1CCC([C@@]2(C)CCCC(C)(C)C2)=C2C[C@H]3C(=O)O[C@H]3[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1079267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZLMFNKKFJUHKQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJODSFZNKNHKML-SNAWJCMRSA-N", "SMILES:COC(=O)c1sc(-c2cccs2)cc1NC(=O)/C=C/C(=O)O"]}
{"name": "Fatty acid-binding protein, adipocyte", "xref": ["CHEMBL.TARGET:CHEMBL2083"], "id": "UniProtKB:P15090", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fatty acid-binding protein, adipocyte", "xref": ["CHEMBL.TARGET:CHEMBL1075118"], "id": "UniProtKB:P04117", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQEOEKZNWMXPAE-UQWHTAPSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253896", "category": ["biolink:ChemicalEntity"], "name": "XANTHOHUMOL", "xref": ["InChIKey:ORXQGKIUCDPEAJ-YRNVUSSQSA-N", "SMILES:COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1"], "synonym": ["Xantho-flav", "Xanthohumol"], "chembl_natural_product": true}
{"name": "Bcl-2-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1075182"], "id": "UniProtKB:P53563", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Caspase-3", "xref": ["CHEMBL.TARGET:CHEMBL1075185"], "id": "UniProtKB:P55213", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079421", "category": ["biolink:ChemicalEntity"], "name": "PHENMEDIPHAM", "xref": ["InChIKey:IDOWTHOLJBTAFI-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZXIEYKPIMYPS-GOSISDBHSA-N", "SMILES:CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJFYTMVYIVQDQ-GHMZBOCLSA-N", "SMILES:O=C1N[C@H](Cc2cc(Cl)c(O)c(Cl)c2)C(=O)N2CCC[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1078003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEBTWSCLAPHNR-ADUFETQJSA-N", "SMILES:CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(C)(C)C(=O)O5)[C@@H]3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQQDYLFGRBOAIF-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATIKJQHKGHWIK-UHFFFAOYSA-N", "SMILES:CCCCC1=CC(=C(Br)Br)OC1=O"]}
{"name": "S-ribosylhomocysteine lyase", "xref": ["CHEMBL.TARGET:CHEMBL3496"], "id": "UniProtKB:P45578", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLMXHQRTQCETQ-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=C(Br)Br)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJAGAXWVHGYRW-ALCCZGGFSA-N", "SMILES:CCCCC1=C(Br)/C(=C/Br)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1079947", "category": ["biolink:ChemicalEntity"], "name": "LORNEIC ACID A", "xref": ["InChIKey:BPISPUIKHXBPSU-CDJQDVQCSA-N", "SMILES:CCCC/C=C/c1cc(C)ccc1/C=C/CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1076369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRMKXYKEKJWTD-CISKXPIPSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)CNC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC2=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C(C)C)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNPTZCMCUMGFU-IAMOBIESSA-N", "SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVMNIKGRTOYPDR-JATJWMBJSA-N", "SMILES:CC(C)C[C@H]1CC(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]3CCC(=O)N3)C(C)C)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]3[C@@H](O)CCN3C(=O)[C@H](Cc3cnc[nH]3)NC2=O)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCN)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLIJTVQBQSTDD-ZWRUYHAFSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRJXZTZPPOXOHQ-BLPBYGFISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAVKGPRQAKJYQC-CISKXPIPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccco1)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMFIKUKSRSTHR-STYDTVTQSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cccc3ccccc13)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIVRKBZJAJTGE-UUPYPVMGSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMMANJJHPYIIKO-WBFXVXKESA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPGSXHUOGGBHHP-YNBFDDPPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZCFFRMJSWPPMC-WBFXVXKESA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMZORXHAOQOMZ-HVHKLXTMSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCAPQYWGCHEMFA-JXJOGBRVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASGUPSYAPIGYKQ-ATAGQQDESA-N", "SMILES:COc1ccc(C[C@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]4CCC(=O)N4)C(C)C)CSSC[C@@H](C(=O)O)NC2=O)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1075627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODLHCKMRHURGDZ-MIBBOOFZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFZPLJZCPCTRA-WIRYOQIKSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1Cc3ccccc3C[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMZSLGBWMSARY-HBHWHIAESA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWCABWSEAXBCU-BOTYWPRBSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)CNC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC2=O)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C(C)C)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QESSYWKKODTFHV-DNUYABSHSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)CNC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC2=O)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C(C)C)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMZSLGBWMSARY-ZWRUYHAFSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQRFZBWMKEHSA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1cnn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBJGLKPAQMCJA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFPDLYRGXRIUTG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1cnc2ccc(C3(O)CCNCC3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFALDTPRRXJEOO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1cnn2ccc(N3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAPLYPMKGDNISY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1cnc2ccc(N3CCCCC3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1081516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYWGLIWZIFEQRK-HROPLQTDSA-N", "SMILES:C[C@H](C=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1078315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBLKPQKWZLBJW-LYOFKBFXSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(O)=S)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OP(=S)(S)c6ccc(OC)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IETQHIUZYMGENT-INDVBAGZSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)NCc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUWOUAHJNXFFGU-CCSKKOMLSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NS(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)NS(=O)(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNMMCVDNMEIGO-FZFNOLFKSA-N", "SMILES:C=C(C=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1080077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHOPRYNLUWJLSR-FZFNOLFKSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(O)=S)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNCNSKAAKZWYJQ-HYEBMPSNSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)Nc6cccc7ccccc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHJKNYSKCNTAGY-CCSKKOMLSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)Nc6ccc(-c7ccccc7)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQJHUIYCGAWSTG-WVRTZRCQSA-N", "SMILES:C=CCNC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(=C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFKFYMPEMRXDIU-KYIMJNNYSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVULPKGXVXJPEV-SKQHJFOWSA-N", "SMILES:O=C1[C@@H](CCn2cc(CO[C@H]3Cc4c(O)cc(O)cc4O[C@@H]3c3ccc(O)c(O)c3)nn2)[C@@H](c2ccccc2)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVULPKGXVXJPEV-IJERKEDCSA-N", "SMILES:O=C1[C@@H](CCn2cc(CO[C@@H]3Cc4c(O)cc(O)cc4O[C@@H]3c3ccc(O)c(O)c3)nn2)[C@@H](c2ccccc2)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQVSULRBJRWAE-DUFFWPMCSA-N", "SMILES:COc1ccc([C@@H]2[C@H](CCn3cc(CO[C@H]4Cc5c(O)cc(O)cc5O[C@@H]4c4ccc(O)c(O)c4)nn3)C(=O)N2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQVSULRBJRWAE-WFCQOVNTSA-N", "SMILES:COc1ccc([C@@H]2[C@H](CCn3cc(CO[C@@H]4Cc5c(O)cc(O)cc5O[C@@H]4c4ccc(O)c(O)c4)nn3)C(=O)N2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077108", "category": ["biolink:ChemicalEntity"], "name": "FUROSPONGOLIDE", "xref": ["InChIKey:WCHKEOQZUQGPSS-ZTRBTYSCSA-N", "SMILES:C/C(=C\\CCc1ccoc1)CC/C=C(\\C)CCCC1=CC(=O)OC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6467", "category": ["biolink:ChemicalEntity"], "name": "4-METHYLTHIOAMPHETAMINE", "xref": ["InChIKey:OLEWMKVPSUCNLG-UHFFFAOYSA-N", "SMILES:CSc1ccc(CC(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401393", "category": ["biolink:ChemicalEntity"], "name": "XEROPHILUSIN F", "xref": ["InChIKey:MOEKVDYJSLTUSU-PYEDPNNMSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@H]1C(=O)[C@]3(O)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL307696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQJFGMEZBFMNV-WOJBJXKFSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL497392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMRIVODIXTERW-FDFHNCONSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@@H]3C[C@H]2C3(C)C)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL464651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBUNOKEKXMSCV-UYYPKTQPSA-N", "SMILES:CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CCC(C)(O)CCCc2ccoc2)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1093490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVLLTHCZQAJNH-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)c1cc(O)c2ccc(Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBAHHYYHHUONJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c23)cc1)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMWCOAVVUSUMAD-IQJNLRKFSA-N", "SMILES:CC1=NN(c2ccc(/C=C/c3ccc(NC(=O)Nc4ccc(/C=C/c5ccc(N6N=C(C)C(/N=N/c7ccccc7C(=O)O)C6=O)cc5S(=O)(=O)O)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)C(=O)C1/N=N/c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRLIGKOKBJUIIR-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXAVBDIDWNTRGP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(Cl)cc(Oc2cccc(-c3c(C(N)=O)cnc4c(C(F)(F)F)cccc34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYTRITJAZOPLCZ-BYPYZUCNSA-N", "SMILES:CC(=O)C(=O)[C@@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL194166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYTRITJAZOPLCZ-SCSAIBSYSA-N", "SMILES:CC(=O)C(=O)[C@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1092669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCDDVWOQDHTFPM-CAOOACKPSA-N", "SMILES:O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(F)c1O"]}
{"name": "Tyrosine-protein phosphatase YopH", "xref": ["CHEMBL.TARGET:CHEMBL5835"], "id": "UniProtKB:P08538", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:273123"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVUGMGNWRQWAO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)nn2CC(O)CN2CCC(c3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQDBBJKIDVDIQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)nn2CC(O)CN2CCC(c3ccccc3C#N)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMDCLBMDROIQD-FVQUHSLJSA-N", "SMILES:CC(=O)N[C@@H](CSSCCC(=O)NCCCC[C@H](CNC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@@H]([C@@H](C)OP(=O)(O)O)NC(=O)CN(C)C(=O)[C@@H](C)NC1=O)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORPMGARVZGXCK-FNCDZKHFSA-N", "SMILES:C[C@@H](OP(=O)(O)O)[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPKSDMHGDYTXLI-UHFFFAOYSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL37775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXRGANZEHBODX-UHFFFAOYSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDORJOTIYXNSN-DQRAZIAOSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDORJOTIYXNSN-QURGRASLSA-N", "SMILES:CC/C(=C(/c1ccccc1)c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARCUKWDDBMOVTN-VHXPQNKSSA-N", "SMILES:CCOc1ccc(/C(=C(/CC)c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXZMJXNGGUJSIL-AJNNAGPSSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGNKOKGHRNHSND-GSGIOAGUSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)C[C@H]3[C@H]3C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCVIEONTACSLJA-DBJGKHSESA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1"], "synonym": ["GW7604"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKQRNXTGAHPBR-GINUTJKVSA-N", "SMILES:O=C(O)/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKYABHOVHZOAEX-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFQXLSIRGZVJOZ-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVNHHHDHBAPPO-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc(OC)cc2CCCNC(C)=O)c1"]}
{"name": "17-beta-hydroxysteroid dehydrogenase type 3", "xref": ["CHEMBL.TARGET:CHEMBL4234"], "id": "UniProtKB:P37058", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "17-beta-hydroxysteroid dehydrogenase type 3", "xref": ["CHEMBL.TARGET:CHEMBL1075158"], "id": "UniProtKB:O54939", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVEKBOWUZRSCKC-UHFFFAOYSA-N", "SMILES:O=C(c1cnccn1)N1CCN(CCCNc2nnc(-c3cccc([N+](=O)[O-])c3)c3c2cc2ccccn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJOMTSHJHSGRKP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)Nc3ccc(-c4nc(N5C6CCC5COC6)nc(N5C6CCC5COC6)n4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYYDHNGRNJQFDH-UQKRIMTDSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)N[C@@H](C)C(=N)N)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJUUAUZLDWNPE-CMDGGOBGSA-N", "SMILES:CC1=CC(=NOC(=O)/C=C/c2ccccc2)C=C(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAKITEZCQADZOH-SRPQTRNCSA-N", "SMILES:CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)C5Cc6ccc(O)c7c6[C@@]4(CCN5)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCDARUNGYVIGE-LFJBVPCVSA-N", "SMILES:CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)C5Cc6ccc(O)c7c6[C@@]4(CCN5)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNZLNHPTXAKKH-VJTWPIAKSA-N", "SMILES:CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)C5Cc6ccc(O)c7c6[C@@]4(CCN5)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJNLBZJRELEKML-LHEWISCISA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UURCWNFSRUAMLG-OTIXUZPNSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9387", "category": ["biolink:ChemicalEntity"], "name": "L-365260", "xref": ["InChIKey:KDFQABSFVYLGPM-QFIPXVFZSA-N", "SMILES:Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1092637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSKQVYGGIODIIN-OFVILXPXSA-N", "SMILES:CC(C)N1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL997", "category": ["biolink:ChemicalEntity"], "name": "IBANDRONIC ACID", "xref": ["InChIKey:MPBVHIBUJCELCL-UHFFFAOYSA-N", "SMILES:CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O"], "synonym": ["Ibandronic acid", "Ibandronic acid", "Acide ibandronique", "Acido ibandronico", "Ibandronic acid", "Bondenza", "Ibandronate", "Ibandronic acid", "NSC-722623"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Squalene synthase", "xref": ["CHEMBL.TARGET:CHEMBL3815"], "id": "UniProtKB:Q02769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUHGRMCBDPTIW-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(CCCCOc1nonc1-c1ccccc1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWFNEHHRVMWEJ-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(O)(CCCCOc1nonc1S(=O)(=O)c1ccccc1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZVZCQRPQEIFO-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(O)(CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)P(=O)(O)O"]}
{"name": "Farnesyl pyrophosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL1075093"], "id": "UniProtKB:P05369", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJQOGFLQREZFX-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(CCCCOc1no[n+]([O-])c1-c1ccccc1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTYKCOOBXZMAH-OAHLLOKOSA-N", "SMILES:C#CCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(N=C=S)cc1"]}
{"name": "Dihydropyrimidinase-related protein 2", "xref": ["CHEMBL.TARGET:CHEMBL1075160"], "id": "UniProtKB:O08553", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTYKCOOBXZMAH-HNNXBMFYSA-N", "SMILES:C#CCOC[C@H](NC(C)=O)C(=O)NCc1ccc(N=C=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTMBWPHAKTVFI-CQSZACIVSA-N", "SMILES:CC(=O)N[C@H](COCCN=[N+]=[N-])C(=O)NCc1ccc(N=C=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTMBWPHAKTVFI-AWEZNQCLSA-N", "SMILES:CC(=O)N[C@@H](COCCN=[N+]=[N-])C(=O)NCc1ccc(N=C=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHASJZSMFOCWPK-RGZITDJTSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCOP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXBIBKLFFWSTHM-HALMISTCSA-N", "SMILES:Nc1ccn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)O)[C@@H](COP(=O)(O)OCCCCCCNC(=O)c3ccc4c(c3)C(=O)c3cc(C(=O)NCCCCCCO)ccc3C4=O)O2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBHUMDWHBHQWEL-WVHLWAEBSA-N", "SMILES:Nc1ccn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)O)[C@@H](COP(=O)(O)OCCCCCCNCc3ccc4c5cccc6cccc(c7cccc3c74)c65)O2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQSFUQLWOVFBKX-OVBJLEGISA-N", "SMILES:C[C@H]1O[C@@H](Nc2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"name": "Histidinol dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL5431"], "id": "UniProtKB:Q8G2R2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:204722"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNKCZNKWELASHH-FNORWQNLSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBRHQUFYVIYROH-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)NS(=O)(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVGLBPQHGMQTPK-FNORWQNLSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)NS(=O)(=O)c1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOWYVJZEPBOMSV-WEVVVXLNSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)NS(=O)(=O)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYKWXOELKVFQP-WEVVVXLNSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)NS(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYAPRPONJCFAM-CSKARUKUSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)NS(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCUOOWQAWCQOB-VZUCSPMQSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRWMRVMIRWYQQO-VZUCSPMQSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)NS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWWSHIRKIGVTP-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVZAONNAUMCFCL-OUKQBFOZSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYVABSRCANGGE-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTIXFZMRLYBCK-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFMXUNLIUHLEMS-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFZLGIUUXIFPQJ-BUHFOSPRSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKLMJUDPLRATQ-XNTDXEJSSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEFJNQDIIDFGY-XNTDXEJSSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHIXDDSNNSRLKC-FNORWQNLSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2(F)F)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMABTHGRUWJYLD-FNORWQNLSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2(F)F)NS(=O)(=O)c1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQSKGKZQVEGBQ-WEVVVXLNSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2(F)F)NS(=O)(=O)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXMBKNUVVVOUKU-WEVVVXLNSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2(F)F)NS(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBCXJPULOVPXNM-CSKARUKUSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2(F)F)NS(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIROWBUFUBBAGU-XNTDXEJSSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2O)NS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGAXZCWZAYCFBR-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2O)NS(=O)(=O)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMLUXABXAEURE-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2O)NS(=O)(=O)c1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYQOSGKGHXBWHH-WEVVVXLNSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2(CO)CO)NS(=O)(=O)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNEDDKWVADKNIV-FNORWQNLSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C21OCCO1)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZCMSWJZDPCSDP-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2)NS(=O)(=O)c1cccs1"]}
{"name": "Tyrosyl-DNA phosphodiesterase 1", "xref": ["CHEMBL.TARGET:CHEMBL1075138"], "id": "UniProtKB:Q9NUW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNARVKYKGBJES-YNHSGCSHSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOKCIBFBZYLCA-UHFFFAOYSA-N", "SMILES:NC(CCP(=O)(O)CCC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1089852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNZCMPXFRMGKRU-BYPYZUCNSA-N", "SMILES:N[C@@H](CCP(=O)(O)CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSZPJMQTGZZCC-FYTLMZHYSA-N", "SMILES:N[C@@H](CCP(=O)(O)/C=C/C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1076865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUOPRSIELVFTB-AKGZTFGVSA-N", "SMILES:N[C@@H](CCP(=O)(O)CC(Cl)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNBMJPHGJSBCGA-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccc(Cl)cc4)oc3C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRDAVFHETQPZNA-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCc3nc(-c4ccc(Cl)cc4)oc3C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBCHBGORUKRAW-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccc(Cl)cc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZRXZVIBUNCKL-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(Cl)cc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBSWHKBQDUZFU-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3oc(-c4ccc(Cl)cc4)nc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOBOMSWNSTKJY-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3sc(-c4ccc(Cl)cc4)nc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRCKBOWJYALMP-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(Cl)cc4)sc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBAMKUWAFADTHH-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccccc4Cl)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FONBZQATAUXFLY-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4cccc(Cl)c4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBKZFWZBSITBK-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccccc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTPKSCHNKUPDR-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(F)cc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHIDEDZMRDHGQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYKWIGWLDLXHQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQQPFKATOJNLP-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(N5CCOCC5)cc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDOTVBJQMMQROS-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(C#N)cc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFHBRHCAYNKEBM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(COc3cccc(CN(CC(=O)O)C(=O)Oc4ccc(C)cc4)c3)c(C)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQURUBZIWQUADK-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(C)cc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLZIRYIUFPHXPU-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(C(C)C)cc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBHSLFQNFPRMJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJLLKKNPFAWXSC-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)O)C(=O)OC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCVQQAMZPGYCX-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)O)C(=O)OC2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBKTZXWSVJBIFZ-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)O)C(=O)OC2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCGZOVMJVMQILM-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)O)C(=O)OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVIDKXVNZRKJH-UHFFFAOYSA-N", "SMILES:CCCOC(=O)N(CC(=O)O)Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJIBXDMNCMEJAY-UHFFFAOYSA-N", "SMILES:COC(=O)N(CC(=O)O)Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089972", "category": ["biolink:ChemicalEntity"], "name": "SUFORAPHANE ISOSELENOCYANATE", "xref": ["InChIKey:FLMQTEGMYMOWQC-UHFFFAOYSA-N", "SMILES:C[S+]([O-])CCCCN=C=[Se]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL48802", "category": ["biolink:ChemicalEntity"], "name": "SULFORAPHANE", "xref": ["InChIKey:SUVMJBTUFCVSAD-UHFFFAOYSA-N", "SMILES:C[S+]([O-])CCCCN=C=S"], "synonym": ["Sulforaphane", "(-)-sulforaphane", "(r)-sulforaphane", "4-(methylsulfinyl)butyl isothiocyanate", "Sfx-01", "Sulforaphane", "Sulforaphane, (r)-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1093099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZCXZCCPLYVDG-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJULMRABPHMMW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1cc2ccc3cccc4ccc(c1)c2c34)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTZQXJCFFMSQNR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHZSZXLSLGIEG-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc2ccccc2c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFRIBJACCUKTCE-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYVHZKAHBXINPL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(I)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIYOEBIJUZFQBU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1cccc(Cl)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJKWBOBDMWJSM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMULNLRFADWHNG-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPDNYLMHLHWBD-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(F)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWNKFBHPQVPRNQ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1cccc(F)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLUHLCPXQWQKW-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c3cc(S(=O)(=O)c4ccccc4)ccc3n2C)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNZQGOITPSNFNN-HSZRJFAPSA-N", "SMILES:CCCCCCCCCCCCCCSCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIAMTTZAGXNYFZ-BEBVUIBBSA-N", "SMILES:CCCCCCCCCCCCCCSCC(=O)OC[C@H](COP(=O)(O)OCC(O)CO)OC(=O)CSCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187734", "category": ["biolink:ChemicalEntity"], "name": "TETRADECYLTHIOACETIC ACID", "xref": ["InChIKey:IPBCWPPBAWQYOO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCSCC(=O)O"], "synonym": ["Tetradecylsulfanyl-acetic acid", "Tetradecylthioacetic acid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTGUTKIYDUJON-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN2C(=O)NC(C)(c3ccccc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTLVFVORPQDDQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN2C(=O)NC(c3ccccc3)(C3CC3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBKHEDZZMPNVER-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCc4ccccc43)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARDVIOHDKSEPI-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXGCTLOLJELQS-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYCDBPBFEXVJIO-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)(C2CC2)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYCKSTNLWKOHQH-UHFFFAOYSA-N", "SMILES:CC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMLQEUFOJFONRU-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATUHDUVAWBHDD-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVHCNUWDQBXDY-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEAFOYNFWSWBQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098278", "category": ["biolink:ChemicalEntity"], "name": "ERYTHRIBYSSIN N", "xref": ["InChIKey:IPNXSQTYICCBKP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(oc3c4ccc(O)cc4oc(=O)c23)c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1096946", "category": ["biolink:ChemicalEntity"], "name": "ERYPOEGIN F", "xref": ["InChIKey:GBYUYYCUGKCGMM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C=O)c(-c3ccc(O)cc3O)oc2c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094311", "category": ["biolink:ChemicalEntity"], "name": "ISOSOJAGOL", "xref": ["InChIKey:MQKLGUOASGICKG-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)ccc2c1oc1c3ccc(O)cc3oc(=O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKQDWKDFIFTOSW-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc2c(cc1O)oc(=O)c1c3ccc(O)c(CC=C(C)C)c3oc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095261", "category": ["biolink:ChemicalEntity"], "name": "ERYTHRIBYSSIN F", "xref": ["InChIKey:JMORUTGUQMSNPM-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c(O)ccc3c2C(=O)O)c(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1096926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMMLQQHWDVXNI-NTEUORMPSA-N", "SMILES:CN(C)C(=S)N/N=C/c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVYWOXRCBZTDRP-RIYZIHGNSA-N", "SMILES:CN(C)C(=S)N/N=C/c1cnc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTPFKNXGUIYQLG-RIYZIHGNSA-N", "SMILES:CN(C)C(=S)N/N=C/c1ccc2cccnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPSNKQSKCJNIJ-KPKJPENVSA-N", "SMILES:CN(C)C(=S)N/N=C/c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCEVKSTTWJUWFU-NTUHNPAUSA-N", "SMILES:CN(C)C(=S)N/N=C/c1cc2cccnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYBIJPQKYVPPY-CAOOACKPSA-N", "SMILES:NC(=S)N/N=C/c1nc2ccccc2c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVSLRVLBLPUAMV-VCHYOVAHSA-N", "SMILES:CN(C)C(=S)N/N=C/c1nc2ccccc2c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTONHELWURZURG-MDZDMXLPSA-N", "SMILES:CCCCC(C#CC(=O)OC)O/C=C/C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGOVIRUCFQINTD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccccc3-c3ccccc3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXNWHVSJJAJRI-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2cc(-c3ccccc3-c3ccccc3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLBUAKQNKJTEIU-UHFFFAOYSA-N", "SMILES:CN1C(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBKYJGIZZWWER-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFLHNDQJLWMBSQ-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)CCCN1C(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSRULUANHPEMHN-UHFFFAOYSA-N", "SMILES:COc1cc(N2C(=O)C(C)(C)N(CCCS(N)(=O)=O)C2=S)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZPRUZAMSHSECE-UHFFFAOYSA-N", "SMILES:Cc1c(N2C(=O)C(C)(C)N(CCCS(N)(=O)=O)C2=S)ccc(C#N)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSCTHMUNVWIEG-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)CCCN1C(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIINFPBTMFBRG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NC(=N)NCCc2c[nH]c3ccc(F)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331372", "category": ["biolink:ChemicalEntity"], "name": "CGS-21680", "xref": ["InChIKey:PAOANWZGLPPROA-RQXXJAGISA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVFBHEUGFZPVME-FNOJTLJASA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(c4ccccc4)C=C[C@@]3(C[C@@H]2C(C)(C)C)[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455056", "category": ["biolink:ChemicalEntity"], "name": "CUCURBITACIN E", "xref": ["InChIKey:NDYMQXYDSVBNLL-MUYMLXPFSA-N", "SMILES:CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1099345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRVFIGQYZIENPM-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXOCNXXBZJGFO-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCN1CCc3cc(OCCCCCCOc4ccc5c(c4)CCN4CCc6ccccc6C54)ccc3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098736", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROPYRANOCOUMARIN D2", "xref": ["InChIKey:MPIAWVNZVMGWII-MFUYTVRRSA-N", "SMILES:CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1ccccc1"]}
{"name": "Microphthalmia-associated transcription factor", "xref": ["CHEMBL.TARGET:CHEMBL1075142"], "id": "UniProtKB:Q08874", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFWDLWOCXSJOK-JRTLGTJJSA-N", "SMILES:C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFVFVQFPLEKDA-UHFFFAOYSA-N", "SMILES:CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKSVNSOTXGKJN-FQEVSTJZSA-N", "SMILES:CC1(C)C[C@H](NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKSVNSOTXGKJN-HXUWFJFHSA-N", "SMILES:CC1(C)C[C@@H](NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJOOHWJFYSUFIU-NRFANRHFSA-N", "SMILES:CC(=O)N[C@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJOOHWJFYSUFIU-OAQYLSRUSA-N", "SMILES:CC(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOKUIPSHLAAXQK-AREMUKBSSA-N", "SMILES:CC1(C)C[C@@H](NC(=O)c2cccc3[nH]ncc23)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOLUZDIMCUECSL-AREMUKBSSA-N", "SMILES:CC1(C)C[C@@H](NC(=O)c2ccc3[nH]ncc3c2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMZWVIZNJRHRI-RUZDIDTESA-N", "SMILES:CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccccc23)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDDAIFXAUXVOFU-OAQYLSRUSA-N", "SMILES:Cc1nc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASISOGRWKOFTRC-HSZRJFAPSA-N", "SMILES:Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBWAIAQQPSJRLP-HSZRJFAPSA-N", "SMILES:Cc1n[nH]cc1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQRZVIKHJWAVPW-JOCHJYFZSA-N", "SMILES:CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFHHPZKLSDUAX-XMMPIXPASA-N", "SMILES:CC1(C)C[C@@H](NC(=O)c2n[nH]c3c2CCC3)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPIENJWEFLRFA-HSZRJFAPSA-N", "SMILES:Cc1[nH]nc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFKZGWEHWNWDI-JOCHJYFZSA-N", "SMILES:Cc1c[nH]nc1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRLAIUSGKUVHBM-XMMPIXPASA-N", "SMILES:CCc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYDCJJLOXCGZJB-RUZDIDTESA-N", "SMILES:CC1(C)C[C@@H](NC(=O)c2ccccc2N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWTYJFXTOTYOGR-XMMPIXPASA-N", "SMILES:CC1(C)C[C@@H](NC(=O)c2ccccc2O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCGIWMYXNXWIGG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097456", "category": ["biolink:ChemicalEntity"], "name": "N-[6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-4-YL]-4,4,4-TRIFLUORO-3-HYDROXYBUTANAMIDE (DIASTEREOMERIC MIX)", "xref": ["InChIKey:ONIULYGRFWGEHO-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)CC(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLPBGSDNSBKPW-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)C(C)(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1169572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLLVQZFMABVHW-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1-c1nc2c(cc1-c1ccc(Cl)cc1)C(NC(=O)C(O)C(F)(F)F)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBUYZBCPZIMRH-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)C2(O)CC2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWQLJYOYMGFPD-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)C(C)(C)O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDUFEEHNNASCMH-HSZRJFAPSA-N", "SMILES:Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFAJSDLPLCRIQ-UHFFFAOYSA-N", "SMILES:O=C(O)COc1cccc(C(=O)O)c1"]}
{"name": "Aminodeoxychorismate lyase", "xref": ["CHEMBL.TARGET:CHEMBL1075099"], "id": "UniProtKB:P28305", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZLMOYGKHSTTQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSLAWHJQDDCLHD-DQEYMECFSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](CCCNC(=O)c2cccc(OCC(=O)O)c2)C(=O)N[C@@H](Cc2ccc(C#N)cc2)C(N)=O)c([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDGZWKAIBXGMDS-SANMLTNESA-N", "SMILES:NC(=O)C1(NC(=O)[C@H](CCCNC(=O)c2cccc(OCC(=O)O)c2)NC(=O)c2ncccc2C(=O)c2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUXCIVASPUJCF-DQEYMECFSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](CCCCNC(=O)c2cccc(OCC(=O)O)c2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYLBAFDRMTESX-RULBIBMZSA-N", "SMILES:CC(C(=O)N[C@@H](CCCNC(=O)c1cccc(OCC(=O)O)c1)C(=O)NCCc1cccc2c1oc1c(CCC(N)=O)cccc12)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVORYJNZOZKTGQ-DQEYMECFSA-N", "SMILES:COc1cc(OC)cc(C(=O)N[C@@H](CCCNC(=O)c2cccc(OCC(=O)O)c2)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])c(O)c2)C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUPYTRQVPPYLH-QFIPXVFZSA-N", "SMILES:NC(=O)C1(NC(=O)[C@H](CCCNC(=O)c2cccc(OCC(=O)O)c2)NC(=O)c2cc(O)cc(O)c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMAADPVDVROCJW-MHZLTWQESA-N", "SMILES:NC(=O)C1(NC(=O)[C@H](CCCNC(=O)c2cccc(OCC(=O)O)c2)NC(=O)c2ccc(Oc3ccccc3)cc2)CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXZWCCBAJGLAKG-DQEYMECFSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](CSCCCNC(=O)c2cccc(OCC(=O)O)c2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNZCULYAYFVQZ-ZEQRLZLVSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](CCCNC(=O)c2cccc(OCC(=O)O)c2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1O"]}
{"name": "Isochorismate synthase EntC", "xref": ["CHEMBL.TARGET:CHEMBL1075176"], "id": "UniProtKB:P0AEJ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRYIXVCGSCBMRB-NHYWBVRUSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWRRASZLVSVIR-ROUUACIJSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1O"]}
{"name": "Anthranilate synthase component 1", "xref": ["CHEMBL.TARGET:CHEMBL1075109"], "id": "UniProtKB:P00898", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:99287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFZHFVMGFLJNG-MWEAJKFLSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OCC(O)COP(=O)(S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)[C@@H](COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL123978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKPLPDIMEREJJF-UHFFFAOYSA-N", "SMILES:COc1cccc(C(N)=O)c1"], "chembl_natural_product": true}
{"name": "Cell division protein FtsZ", "xref": ["CHEMBL.TARGET:CHEMBL5096"], "id": "UniProtKB:P0A031", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLBVECMRUTRNV-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(Oc2nc3ccccc3s2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOORHNDUDZACHC-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCCn2cccn2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRBTXOYMWPGSEI-UHFFFAOYSA-N", "SMILES:Cc1cnc(COc2ccc(F)c(C(N)=O)c2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCCLSIDLRAACG-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2nc3cccc(-c4ccccc4)c3s2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNUNOCVKLZKGFI-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2nc3ccc(-c4ccccc4)cc3s2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIVWIAXIDYNCQF-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2nc3c(-c4ccccc4)cccc3s2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXBEHIPXIEOFU-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGMMALRBLYFEOL-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OARDKQCRJVTQMS-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2nc3cc(-c4ncc[nH]4)ccc3s2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXZIYUKDUMKXGN-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2nc3cc(C(=O)O)ccc3s2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEGIZDZGHARGFS-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTXMWLXISGCOX-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMMJZTANRQZYGQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2nc3cc(N)ccc3s2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDXGOBHENHOPJ-GCBPPVMSSA-N", "SMILES:O=C1Nc2cc(OC(F)(F)F)ccc2/C1=C\\c1cccc(/C=C2/C(=O)Nc3cc(OC(F)(F)F)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUHLANITFXMCB-OTYYAQKOSA-N", "SMILES:COc1cc2c(c(OC)c1OC)/C(=C\\c1cccc(/C=C3/C(=O)Nc4cc(OC)c(OC)c(OC)c43)n1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXWCKSVCLSTWLD-RPCRKUJJSA-N", "SMILES:O=C1Nc2ccccc2/C1=C\\C1C=CC=C(/C=C2/C(=O)N(Cc3ccccc3)c3ccccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNUNQVIQXLHFU-UHFFFAOYSA-N", "SMILES:COC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1c(F)cccc1F)cc(=O)n2C)c1cncn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLUWMCXPPODSKF-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(S(=O)(=O)NCCOP(=O)(O)O)c3cccc1c23"]}
{"name": "6,7-dimethyl-8-ribityllumazine synthase", "xref": ["CHEMBL.TARGET:CHEMBL1075177"], "id": "UniProtKB:P9WHE9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJAMZKSEHMSRHJ-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(S(=O)(=O)NCCCCC(F)(F)P(=O)(O)O)c3cccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCCNRPWCWIPKRX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)Nc1c(Cl)[nH]c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQFFREBZWIEQKR-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(S(=O)(=O)NCCCOP(=O)(O)O)c3cccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLETUMFPICHSDN-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(S(=O)(=O)NCCCCOP(=O)(O)O)c3cccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCOUCZQWAPPHCR-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(S(=O)(=O)NCCCCCCOP(=O)(O)O)c3cccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXQWSGQAGNHADB-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(S(=O)(=O)NCCCCCOP(=O)(O)O)c3cccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095870", "category": ["biolink:ChemicalEntity"], "name": "1-HYDROXY-6-(4-HYDROXY-PHENYL)-1-PHENYL-HEXAN-3-ONE (ENANTIOMERIC MIX)", "xref": ["InChIKey:NAAMVSLPGQYEHL-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(O)cc1)CC(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZZBARIWRCYLK-KECWCRPSSA-N", "SMILES:C#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMSGGPOVFCQUPJ-RRUDZPKISA-N", "SMILES:C#CC[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQGEUFVOMSATO-CPHHOOCTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCl)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVMGORJIPPDBD-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNIYXBBEYBFROQ-VDKRJKRFSA-N", "SMILES:CCC(=O)N[C@H]1[C@H]([C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O[C@@](OC(C)=O)(C(=O)OC)C[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYEGXSNFZXWSDV-BYPYZUCNSA-N", "SMILES:Nc1ncc(C[C@H](N)C(=O)O)[nH]1"]}
{"name": "Arginase-1", "xref": ["CHEMBL.TARGET:CHEMBL1075097"], "id": "UniProtKB:P05089", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL159", "category": ["biolink:ChemicalEntity"], "name": "VINBLASTINE", "xref": ["InChIKey:JXLYSJRDGCGARV-CFWMRBGOSA-N", "SMILES:CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1"], "synonym": ["Vinblastine", "Vinblastine", "Vinblastine", "Vinblastina", "Vinblastine", "Vinblastine", "[3h]-vinblastine", "NSC-47842"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1098413", "category": ["biolink:ChemicalEntity"], "name": "DEMETHYLMEDICARPIN", "xref": ["InChIKey:ODMIEGVTNZNSLD-WFASDCNBSA-N", "SMILES:Oc1ccc2c(c1)O[C@H]1c3ccc(O)cc3OC[C@@H]21"], "chembl_natural_product": true}
{"name": "Sialidase", "xref": ["CHEMBL.TARGET:CHEMBL5189"], "id": "UniProtKB:P10481", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1502"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098728", "category": ["biolink:ChemicalEntity"], "name": "NEORAUTENOL", "xref": ["InChIKey:OGFFMQWYZCTXCM-KXBFYZLASA-N", "SMILES:CC1(C)C=Cc2cc3c(cc2O1)OC[C@H]1c2ccc(O)cc2O[C@@H]31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1098729", "category": ["biolink:ChemicalEntity"], "name": "ISONEORAUTENOL", "xref": ["InChIKey:WTKJOOHYNMPGLE-KXBFYZLASA-N", "SMILES:CC1(C)C=Cc2cc3c(cc2O1)O[C@H]1c2ccc(O)cc2OC[C@@H]31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448350", "category": ["biolink:ChemicalEntity"], "name": "PHASEOLIN", "xref": ["InChIKey:LWTDZKXXJRRKDG-KXBFYZLASA-N", "SMILES:CC1(C)C=Cc2c(ccc3c2O[C@H]2c4ccc(O)cc4OC[C@@H]32)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1097045", "category": ["biolink:ChemicalEntity"], "name": "ERYVARIN D", "xref": ["InChIKey:BYZVMAQRPFEPSV-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1CC=C(C)C)-c1ccc(O)cc1OC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1096406", "category": ["biolink:ChemicalEntity"], "name": "ERYTHRIBYSSIN O", "xref": ["InChIKey:AGFXXWXSPAYWMF-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)ccc2c3c(oc12)-c1cc(C=O)c(O)cc1OC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1096407", "category": ["biolink:ChemicalEntity"], "name": "CALOPOCARPIN", "xref": ["InChIKey:CYXCYFYWIZXENQ-JXFKEZNVSA-N", "SMILES:CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3ccc(O)cc3O[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1096408", "category": ["biolink:ChemicalEntity"], "name": "ERYTHRIBYSSIN L", "xref": ["InChIKey:HAOOQCMPFMLAJM-HRKCMRQESA-N", "SMILES:CC(C)=CCc1c(O)ccc2c1O[C@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)C(O)C4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095422", "category": ["biolink:ChemicalEntity"], "name": "ERYSUBIN D", "xref": ["InChIKey:UNODSKHATHZQGW-HRKCMRQESA-N", "SMILES:CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3ccc4c(c3O[C@@H]21)CC(O)C(C)(C)O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1086764", "category": ["biolink:ChemicalEntity"], "name": "ERYSUBIN E", "xref": ["InChIKey:CMHGFGMNRHHGSN-UKILVPOCSA-N", "SMILES:CC(C)=CCc1cc2c(cc1O)OC[C@@]1(O)c3ccc4c(c3O[C@@H]21)C=CC(C)(C)O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1099089", "category": ["biolink:ChemicalEntity"], "name": "ERYTHRIBYSSIN D", "xref": ["InChIKey:ZCLUCQDBFSBCJB-OZIHFDBSSA-N", "SMILES:CC1(C)Oc2ccc3c(c2CC1O)O[C@H]1c2ccc(O)cc2OC[C@@H]31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1099090", "category": ["biolink:ChemicalEntity"], "name": "ERYTHRIBYSSIN M", "xref": ["InChIKey:ZCLUCQDBFSBCJB-LJMFKLJISA-N", "SMILES:CC1(C)Oc2ccc3c(c2CC1O)O[C@@H]1c2ccc(O)cc2OC[C@H]31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL454849", "category": ["biolink:ChemicalEntity"], "name": "ERYTHRABYSSIN I", "xref": ["InChIKey:ZHPYEBFYLDGZKF-LEWJYISDSA-N", "SMILES:COc1ccc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)cc3OC[C@@]21O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1088321", "category": ["biolink:ChemicalEntity"], "name": "SOPHORAPTEROCARPAN A", "xref": ["InChIKey:AZLNYSCXKUKIRV-JXFKEZNVSA-N", "SMILES:CC(C)=CCc1cc2c(cc1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1088462", "category": ["biolink:ChemicalEntity"], "name": "ERYSTAGALLIN A", "xref": ["InChIKey:OOAXWUFECWLVEQ-IZZNHLLZSA-N", "SMILES:COc1ccc2c(c1CC=C(C)C)O[C@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@]21O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1098555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQJZLSUROYVQY-MFYWSIJSSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CNCc1ccccc1)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAVJHYWTVHHCFH-BPJRBCGYSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CNCc1ccncc1)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGNSULGOLVSNF-GXVHRJHYSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CNCc1nc3ccccc3[nH]1)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTNTPJTGGDFNX-YFQNEARWSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CNCCc1nc3ccccc3[nH]1)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNAQYSDOHUOVNM-FIKUDORNSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CNCCNc1ccccn1)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJUUVBYNXLXMZ-AWAHEQQVSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CNCCNc1ncccn1)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDMPYREHODCFH-JWNHKAHSSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CNCCNC(=O)OCc1ccccc1)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWSBNMDNFNWCQF-AEDWNXJWSA-N", "SMILES:CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCc2ccncc2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOBHAGUIDZXEM-FZSUZORESA-N", "SMILES:CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCc2nc3ccccc3[nH]2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTOMHMPXLBPXEF-FDIKESKOSA-N", "SMILES:CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCCc2nc3ccccc3[nH]2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMKGZJIIBRLQGM-VKUPYFBZSA-N", "SMILES:CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCCNc2ccccn2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOYMTLNTOMQSPK-MMAASCIUSA-N", "SMILES:CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCCNC(=O)OCc2ccccc2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APGPTBKZSKTTAZ-XYYYAOKXSA-N", "SMILES:C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CNCc2ccccc2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CROCEQMKCMIFJZ-CNGORYIKSA-N", "SMILES:C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CNCc2ccncc2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEOPMIAKFJZYQM-DWPCYHNTSA-N", "SMILES:C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CNCc2nc3ccccc3[nH]2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZOJZJAUUPSBK-LDLGKWBMSA-N", "SMILES:C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CNCCc2nc3ccccc3[nH]2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPDTXUXSMNJPX-YXBKOPBNSA-N", "SMILES:C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CNCCNc2ccccn2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYXXNXGPNDFGDM-YXYSEUPNSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CNCCN)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFFYPGDYTWIMY-KKYDWHDCSA-N", "SMILES:CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCCN)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMSDSRMFYXKDA-BLAXKCOOSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CN(CCN/C(=N/C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)/C(=N/C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTIGNWLOPWCMR-LLMVVKHFSA-N", "SMILES:CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CN(CCN/C(=N/C(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)/C(=N/C(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIZNFBGUQKUTA-SSYGJKRZSA-N", "SMILES:C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CN(CCNC(=N)N)C(=N)N)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWLDGCPGJRGTIV-CFBHAYGYSA-N", "SMILES:CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CCN(C[C@@H]2O[C@H](CC(=O)NCCc3c[nH]c4ccccc34)[C@@H]3OC(C)(C)O[C@@H]32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLQLVYNTFHTHL-YXYSEUPNSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CN1CCN(C(=N)N)C1=O)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZINUUIQUJOHHX-CFBHAYGYSA-N", "SMILES:CC(C)(C)OC(=O)/N=C(\\NCCNC[C@@H]1O[C@H](CC(=O)NCCc2c[nH]c3ccccc23)[C@@H]2OC(C)(C)O[C@@H]21)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFTIAPWYGJORNT-JTIOYYDXSA-N", "SMILES:CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCCN/C(=N\\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQUGIGRDWWGORW-YXYSEUPNSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CNCCNC(=N)N)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNZVLNBQBYTIB-KKYDWHDCSA-N", "SMILES:CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCCNC(=N)N)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQLWMZDKMEPRX-BVETWUGGSA-N", "SMILES:COC(=O)[C@H](CCCNC(=N)N)NC[C@@H]1O[C@H](CC(=O)NCCc2c[nH]c3ccccc23)[C@@H]2OC(C)(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXFEEHKSRKNRS-LEHSPDMJSA-N", "SMILES:COC(=O)[C@H](CCCNC(=N)N)NC[C@@H]1O[C@H](CC(=O)NC[C@@H](C)OC(C)=O)[C@@H]2OC(C)(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBNWJVTRFFQQV-XLGPZGCCSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CN[C@@H](CCCNC(=N)N)C(=O)O)O[C@@H]2CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLPTFQUBHESQW-BEKRQIFDSA-N", "SMILES:C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CN[C@@H](CCCNC(=N)N)C(=O)O)[C@H]2OC(C)(C)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKSPBYRGLCNGRC-OEMOKZHXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALGHMFVTPHHJU-HPRDQGOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCCCCNC(=O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)CC3)cc1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXIIKDXCDODGRI-YFKPBYRVSA-N", "SMILES:Nc1ncc(CC[C@H](N)C(=O)O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGFGZNVQMGCHHV-LURJTMIESA-N", "SMILES:Nc1nccn1CCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVDBIBLYJRSWST-UHFFFAOYSA-N", "SMILES:Oc1cc(C(c2ccccc2)c2ccccc2)c2ccccc2c1O"], "synonym": ["NSC-37214"]}
{"name": "N1L", "synonym": ["Protein OPG035"], "xref": ["CHEMBL.TARGET:CHEMBL1075128"], "id": "UniProtKB:Q49PX0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10246"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGKHSTXOENHPFT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3cc(OC)c(OC)c(OC)c3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJXUQPGDDNZEA-DEOSSOPVSA-N", "SMILES:CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLHHLRVNDMIAR-UHFFFAOYSA-N", "SMILES:NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEKWKJWERXTPMS-QHCPKHFHSA-N", "SMILES:CN(C)CC(=O)NCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094683", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIIB", "xref": ["InChIKey:LIWXCZUYDRBOOQ-YOWFXSDUSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094690", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIIA", "xref": ["InChIKey:VIWVEKBOSPDHOE-JUKDTTJLSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095014", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIC", "xref": ["InChIKey:UMOYUPMJUZJZFI-KUARJWSBSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095015", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIB", "xref": ["InChIKey:FFUBKIJPUPRGPA-NBTZTZSZSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095016", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IID", "xref": ["InChIKey:SMBRHXBVGDCQRG-HOSUYAQASA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095025", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIID", "xref": ["InChIKey:QQECVWUIFIPTKP-QSGLCYTBSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095027", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIIE", "xref": ["InChIKey:QQECVWUIFIPTKP-JQATWIJFSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@]21CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095341", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIIC", "xref": ["InChIKey:LPHWHWVLCPLJNB-FMSLLFSISA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJDXKFGFVRQIV-GZBYFAPJSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C\\C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095337", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIE", "xref": ["InChIKey:HRCMJHBUDCRPJF-XUPRUOONSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094689", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIK", "xref": ["InChIKey:AYMDXDUYKXXDGX-AUNOQXSOSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095026", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIIF", "xref": ["InChIKey:IKGKAFZGBWHFKI-FPKVQKIFSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNXJYIZHWPOMA-ZSECNADVSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C\\C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKGKAFZGBWHFKI-QLUXGVAESA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C\\C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094677", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IVA", "xref": ["InChIKey:LPHWHWVLCPLJNB-CDEDCQMVSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094679", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IVC", "xref": ["InChIKey:QXWVOZZGDXJMHK-CYOJANFESA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094681", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IVB", "xref": ["InChIKey:CODLSAUAUYVHDY-YGWHKNMBSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)[C@H](C)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094691", "category": ["biolink:ChemicalEntity"], "name": "AESCULIOSIDE IIA", "xref": ["InChIKey:OSURIFGREXTNLJ-VZNPLFSISA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1098658", "category": ["biolink:ChemicalEntity"], "name": "YANGONIN", "xref": ["InChIKey:XLHIYUYCSMZCCC-VMPITWQZSA-N", "SMILES:COc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL578607", "category": ["biolink:ChemicalEntity"], "name": "KAVAIN", "xref": ["InChIKey:XEAQIWGXBXCYFX-GUOLPTJISA-N", "SMILES:COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL579224", "category": ["biolink:ChemicalEntity"], "name": "METHYSTICIN", "xref": ["InChIKey:GTEXBOVBADJOQH-FWEMWIAWSA-N", "SMILES:COC1=CC(=O)O[C@@H](/C=C/c2ccc3c(c2)OCO3)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1099213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJAQHGSUGFPQST-VOTSOKGWSA-N", "SMILES:COCc1c(OC)cc(=O)oc1/C=C/c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVUOOHHIGXGKFE-QGOAFFKASA-N", "SMILES:O=c1c2ccccc2nc2n1-c1ccc(F)cc1/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHMUNBSKUODAD-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)ccc2-n2c1nc1ncccc1c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL306946", "category": ["biolink:ChemicalEntity"], "name": "TRYPTANTHRIN", "xref": ["InChIKey:VQQVWGVXDIPORV-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-n2c1nc1ccccc1c2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL308106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJXTVCDNZPNLT-UHFFFAOYSA-N", "SMILES:O=Nc1c2ccccc2n2c(O)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGFDYWUCULTLM-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=S)N2CCOCC2)cc1OC"]}
{"name": "L-asparaginase", "xref": ["CHEMBL.TARGET:CHEMBL1075190"], "id": "UniProtKB:P06608", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:556"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYZSOKXVIIHPFL-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=S)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464443", "category": ["biolink:ChemicalEntity"], "name": "GONIOTHALAMIN", "xref": ["InChIKey:RLGHFVLWYYVMQZ-BZYZDCJZSA-N", "SMILES:O=C1C=CC[C@H](/C=C/c2ccccc2)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1086336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERVAUALWXEADD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CN2C(=O)C(c3ccc(OC)c(OC)c3)=C(c3ccc(OC)c(OC)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJJGGZYIGLYJY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCJWZIGHKBTFDW-OXHPVDPFSA-N", "SMILES:CCCCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWIRFLFAPKEKG-UHFFFAOYSA-N", "SMILES:C/N=C(\\NC)NCCCNCCCNCCCN/C(=N/C)NC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFVUEADLXWIXOH-UHFFFAOYSA-N", "SMILES:Cl.N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3144163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBZVBGBUJGROKP-UHFFFAOYSA-N", "SMILES:Cl.Cl.S=C(NCCCNCCCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3144165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIJIVCAHHBTAP-UHFFFAOYSA-N", "SMILES:Cl.Cl.S=C(NCCCNCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3144164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVXDRJWZUFZLE-UHFFFAOYSA-N", "SMILES:Cl.Cl.S=C(NCCCNCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGNNEWQGTGKYFG-UHFFFAOYSA-N", "SMILES:COC(=O)C(C)c1nsnc1N1CCOCC1"]}
{"name": "Lysosomal acid lipase/cholesteryl ester hydrolase", "xref": ["CHEMBL.TARGET:CHEMBL4184"], "id": "UniProtKB:P38571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAWUWPUYJUOUOF-UHFFFAOYSA-N", "SMILES:O=C(Oc1nsnc1N1CCCCC1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGPRWSBSDNGBL-UHFFFAOYSA-N", "SMILES:O=C(Oc1nsnc1N1CCCCCC1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDQLRHLAFGGIZ-UHFFFAOYSA-N", "SMILES:O=C(Oc1nsnc1N1CCOCC1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLKDCBMXIVSBM-UHFFFAOYSA-N", "SMILES:O=C(Oc1nsnc1N1CCCC1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJBLWHNLPCXEJ-UHFFFAOYSA-N", "SMILES:O=C(Oc1nsnc1N1CCCCCC1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKOPFXFKPASEFI-UHFFFAOYSA-N", "SMILES:O=C(Oc1nsnc1N1CCOCC1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYYVHOTXOEBEV-UHFFFAOYSA-N", "SMILES:O=C(Oc1nsnc1N1CCCCC1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZYYMSCKADOXME-UHFFFAOYSA-N", "SMILES:O=C(Oc1nsnc1N1CCCC1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZRCHGAEVRCMKJ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(N=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRACGJTCXVHMJ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIMSHSUYAZHWKM-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJFURMPKGXAOI-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJAORVLGXAKZQC-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRISGUDNIFKHV-SGFZWYBVSA-N", "SMILES:Cc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)/C(=N\\C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBMYOTCDDIGYJH-FZSDHLTPSA-N", "SMILES:Cc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)/C(=N\\C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C2(C)CF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXKKBZVCYJZNJ-DIBXZPPDSA-N", "SMILES:CC/N=C1\\N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N(c2ccc(C)cc2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEKFVMXINHSPMQ-QNHWSJEBSA-N", "SMILES:Cc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)/C(=N\\C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C23CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECDBLKWXFEYMF-BCJTWVECSA-N", "SMILES:Cc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)/C(=N\\C(=S)Nc3ccccc3)C23CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVAUINVHQUMOP-DIBXZPPDSA-N", "SMILES:C/N=C1\\N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N(c2ccc(C)cc2)C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAURGAWHOGZLGR-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXMTAGQLHHBHH-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVLLCIOYTVUIEK-RSWMYABESA-N", "SMILES:Cc1ccc(N2/C(=N/c3ccc(C#N)c(C(F)(F)F)c3)S/C(=N\\C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C23CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDUKBQSFUOEQSH-UIROZGMLSA-N", "SMILES:Cc1ccc(N2/C(=N/c3ccc(C#N)c(C(F)(F)F)c3)S/C(=N\\C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STEOIDKTSDJLHB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3(CCC3)N(c3ccc(O)cc3F)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCIWPANAIKUPNH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJXGISWNZBHSFJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOTJOTNPYGBVOP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMGOTKXGRSQTQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPRKEHZURSZOL-JKMUOGBPSA-N", "SMILES:CCC[C@@H]1[C@H]2Cc3c(-c4nnn[nH]4)n[nH]c3[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWKYLOLYLNJFO-BHNWBGBOSA-N", "SMILES:CCCC[C@@H]1[C@H]2Cc3c(-c4nnn[nH]4)n[nH]c3[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSMRESAJQMQFB-BHNWBGBOSA-N", "SMILES:CC(C)C[C@@H]1[C@H]2Cc3c(-c4nnn[nH]4)n[nH]c3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLQZMGNGMOMPU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)NC(=O)c1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBCJLKRZJZBNT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)NC(=O)c1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWWHWAGGQJPERW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN(Cc1ccccc1)C(=O)NC(=O)c1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWKGSCHYRXCNC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)NC(=O)c1ccc(Br)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLGBDQRHFSXJT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDMLEXAVXKGATA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTTBZVIOMLTFET-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)NC(=O)c1ccc(-c2cncnc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZUJMASVPMOKH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)NC(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLEMUVTXATYOIZ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)NC(=O)c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCCC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYJVQXRRTHIVGC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2cc(C(=O)NC(=O)NCCCCCC(=O)NO)ccc2n1CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYZZKHUOILRJJ-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(OCCCCCCCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTYODUQOCBOODS-QJCLFNHPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCDRMNHCPWMSL-MDKUUQCZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBXJPOKVAUKPO-FLMSMKGQSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRZRERPNYESQK-UHFFFAOYSA-N", "SMILES:CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBJNCMSWCOYIHJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CC4CC4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULKXQDGWXRMRE-UHFFFAOYSA-N", "SMILES:CCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAXPFBZZMCCNTO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)CC4CC4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVSZVVKNRFELRF-UHFFFAOYSA-N", "SMILES:CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPPQBNWIJARQMV-UHFFFAOYSA-N", "SMILES:CCCN(CCC(F)(F)F)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYSIKYGGKRZBW-UHFFFAOYSA-N", "SMILES:CCCN(CCOC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSFWEDJFJGYTB-UHFFFAOYSA-N", "SMILES:CCCN(CCC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDCOZKOHYGBMN-UHFFFAOYSA-N", "SMILES:CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC(F)(F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALENSGWGHGELMK-UHFFFAOYSA-N", "SMILES:CCCCN(CC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBZFPERPNFOOJS-UHFFFAOYSA-N", "SMILES:CCCCN(C)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFOGTRIXFYGBNZ-UHFFFAOYSA-N", "SMILES:C=CCN(CCC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHTSKZSXODKYFR-UHFFFAOYSA-N", "SMILES:C=CCN(CC=C)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDKKRCDCAJMST-UHFFFAOYSA-N", "SMILES:C=C(C)CN(CC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYFDSAHURUBCH-UHFFFAOYSA-N", "SMILES:CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOKNQDOVBOCLCJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CC4CCC4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVCSBLKJVSRPW-UHFFFAOYSA-N", "SMILES:CCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWNTVSUCRXZVKU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC4CC4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWIUNPYQLVZTJ-UHFFFAOYSA-N", "SMILES:CCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFQNIRPUCHLHAK-UHFFFAOYSA-N", "SMILES:CCCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBYNQYINMMMSLW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC4CC4)CCC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEHKWDFZMBFDF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXINPVDRPOZYLD-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4cccc(F)c4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUQUCECJSJBYFY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4ccc(F)cc4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHARXOFISDWVBN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(Cc4ccc(F)cc4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDERQIYELZQBMK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4ccc(Cl)cc4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHKJTWIDEKDMCF-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZDEWUXVOGMOY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOAGYUXIVAJVOV-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNMRPRCSBHLFTD-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(Cl)cc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNOOJFHRVZGDK-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc([N+](=O)[O-])cc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSXOCQGZQWMIX-UHFFFAOYSA-N", "SMILES:CCCN(Cc1cccc(F)c1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVIJZZWKSXLNAA-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(F)cc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTBXCGNTKOCLPN-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDICQSCOJWHPT-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(Cl)c(Cl)c1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGKZWFDKBAROEW-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1C)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNNKBQNFYCKCRP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)Cc4ccco4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZOTYEIWOWOSFS-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSWKOLYNPXXEK-UHFFFAOYSA-N", "SMILES:CCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUVUPQUXGDURP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)CCc4ccccc4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZOXRCGKHOTLP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)CCc4ccccn4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWHTOAZEGAKRX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)CCc4cccnc4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJWMJRPJLDORHV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(C)CCc4ccncc4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURNDKRNZCVEBP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCc4ccccc4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBPWCTQXZZRMEW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCc4ccccc4)CCC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEZDODXJQXTEFV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCCC4c4ccccc4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOBWJJMARWEHLE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCCC4Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRGIUKTJQZQGM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC(c5ccccc5)C4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZVJWVZLYDXGAQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCCCC4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFESIMSYYNXDDZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCCCC4C)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZKTDQPHJCYKI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCCC(C)C4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKYBIZRBNHPETF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC(C)CC4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGPHWAYXDNJJM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN4CC=CCC4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQDPMCMYIQEYDM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCOCC4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBUECQNAIUXRV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCSCC4)c(C(F)(F)F)nc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFIZLQDLVNGPIV-UHFFFAOYSA-N", "SMILES:CCCN(CC1CC1)C(=O)c1c(C)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKORJECMKBVIMF-UHFFFAOYSA-N", "SMILES:CCCN(CC1CC1)C(=O)c1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHADFMBWJJJSBG-UHFFFAOYSA-N", "SMILES:CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)ccn12)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXHPILVBDANGNP-UHFFFAOYSA-N", "SMILES:CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3Cl)c(Cl)cn12)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOIKFZNFZSRBD-UHFFFAOYSA-N", "SMILES:CCCN(Cc1c(C(F)(F)F)nc2n(-c3ccc(OC)cc3C)c(Cl)cn12)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUHSYWWWOREJRR-UXMRNZNESA-N", "SMILES:CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APBCFIJUCKFARF-YTTGMZPUSA-N", "SMILES:COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3ccccc3NCc3ccc4ccccc4c3)CC1)N=C[C@@H]1CCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETSVHRVEDBVCH-WNAAXNPUSA-N", "SMILES:CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N/O)C(C)CS4)c(N)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKVFHJSPPNYGCW-QOMWVZHYSA-N", "SMILES:CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N\\OC)CCS4)c(N)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNFGGCLBURKCTO-HPNDGRJYSA-N", "SMILES:CCOC(=O)C1=CN(C2CC2)c2c(cc(N)c(N3CCC4=C(C3)/C(=N/O)C(C)CS4)c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL52229", "category": ["biolink:ChemicalEntity"], "name": "OSTHOLE", "xref": ["InChIKey:MBRLOUHOWLUMFF-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc(=O)oc2c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1164563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQDKFDLCCFFNU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCCCCOC(=O)c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGQRJSNHMPUKAI-IPEAQFJOSA-N", "SMILES:C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"name": "Serpin H1", "xref": ["CHEMBL.TARGET:CHEMBL1163113"], "id": "UniProtKB:P19324", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2372618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJQVNLDGXRPMA-BHORDQJWSA-N", "SMILES:CN(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFYZTDIBUFVAZ-WJLJJOJOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBVXSUPZQDFBB-CRPSYRINSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOLPOGSRGJIYIE-RMPHBCRMSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVNVYAOLFQIAEX-RMPHBCRMSA-N", "SMILES:CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRCWHCSCZMFQJ-HBITVJFRSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZOBIVLLPUFOQL-RMPHBCRMSA-N", "SMILES:CN(C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXYPGFLTITRQB-ZCYNLIDDSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKBDYAMYHNHFF-XQKNLMOFSA-N", "SMILES:C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)N(C)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2372617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPPHUOBXUDNCMS-FLILSOCVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKJVTPVEQLXYPI-WJLJJOJOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGQRJSNHMPUKAI-MHZWONBLSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXSHUIIMGMMJFP-YOVVGYHUSA-N", "SMILES:NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTOUMHAFSFFQL-HVQWGUAHSA-N", "SMILES:NC(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCNC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSOXPWVKNMAHGU-XJVFACRKSA-N", "SMILES:NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBZDJHZLWRGSMF-OOYNNWNISA-N", "SMILES:NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIRVWGJUPXWNM-MZNWTVGBSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)[C@H](N)CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEBGMDNRGEKTP-IPBYKXOHSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHPOLHJLQMEKGR-XJVFACRKSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXNRFDIRBHJKN-UXVPLSDKSA-N", "SMILES:CN(CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKRLQAVMDVESQD-BSWAXISWSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZHJKJNKRQBUAW-RMPHBCRMSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASZYGTRBADDRCI-IIZUPUGOSA-N", "SMILES:CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XISFHJPCAMDAOW-FLILSOCVSA-N", "SMILES:CCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)N(C)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWLSOWXNZPKENC-ZETCQYMHSA-N", "SMILES:C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1164398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYFZSVCLZZGIKG-KHTYJDQRSA-N", "SMILES:CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](OP(=O)(O)CP(=O)(O)O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]1"]}
{"name": "GTP pyrophosphokinase", "xref": ["CHEMBL.TARGET:CHEMBL1163114"], "id": "UniProtKB:P0AG20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJXCJWTVJPTSGT-ORXWAGORSA-N", "SMILES:CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](OP(=O)(O)CP(=O)(O)O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKUGYHZNNUDHFA-IOSLPCCCSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](OP(=O)(O)CP(=O)(O)O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKHAJAKIHOGTN-XLPZGREQSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)(O)CP(=O)(O)O)[C@@H](COP(=O)(O)CP(=O)(O)O)O2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164951", "category": ["biolink:ChemicalEntity"], "name": "PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER", "xref": ["InChIKey:OCJWYBKRHNXUME-KQYNXXCUSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1163519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVZSJMNDOXYTME-RRKCRQDMSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)(O)CP(=O)(O)O)[C@@H](CO)O2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJNDTXEDFBMQN-WOUKDFQISA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@@H](COP(=O)(O)CP(=O)(O)O)O[C@H]2n1cnc2c(=O)[nH]c(N)nc21"]}
{"name": "Bifunctional (p)ppGpp synthase/hydrolase RelA", "xref": ["CHEMBL.TARGET:CHEMBL1163118"], "id": "UniProtKB:Q54089", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:119602"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRLBFGHHFZVLV-KTQFYHDFSA-N", "SMILES:C=C(COC)[C@@H]1CC[C@]2(C(=O)n3cncn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6cncn6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADOSKXSSKDXCA-RJCDTCFGSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6cncn6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUXEJAXAUKAGZ-DOZQDJGLSA-N", "SMILES:Cc1nccn1C(=O)OC[C@]12CC[C@@H]([C@@H](C)C=O)C1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVJMSZPESSRNJZ-FUPONGDBSA-N", "SMILES:C=C(COC)[C@@H]1CC[C@]2(COC(=O)n3ccnn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFTYPMSQZCGSK-KTQFYHDFSA-N", "SMILES:C=C(COC)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMJBSCQDTVNEAI-JVGAFADDSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(OC(=O)n6ccnc6C)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJHRFXANNVSMI-JOQCCHAVSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)n3cncn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHODGWJZPWHOEQ-BEXYWKQTSA-N", "SMILES:CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc(/N=C/c3ccccc3OC)c1c2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHFLQHMOBGEHQA-BEXYWKQTSA-N", "SMILES:CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc(/N=C/c3ccc(C)cc3)c1c2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUNEYIKPTTYJK-BEXYWKQTSA-N", "SMILES:CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc(/N=C/c3ccccc3C)c1c2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGRTXSJMAFMDGB-QFIPXVFZSA-N", "SMILES:CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc(N)c1c2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZCIUONZTUZER-UHFFFAOYSA-N", "SMILES:O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc(-c2ccccc2)cc1"]}
{"name": "Eukaryotic translation initiation factor 2-alpha kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL6030"], "id": "UniProtKB:Q9NZJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQFZPLQUXVAKS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2c(=O)c3ccccc3n(CC(O)CN3CCCC3)c12"]}
{"name": "Multidrug resistance protein CDR1", "xref": ["CHEMBL.TARGET:CHEMBL1163109"], "id": "UniProtKB:P43071", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"name": "Multidrug resistance protein CDR2", "xref": ["CHEMBL.TARGET:CHEMBL1163105"], "id": "UniProtKB:P78595", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSBYRKRRLJMCV-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c4ccc(NCCN(C)C)nc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXTXFYAVODKDN-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c4ccc(NCCCN(C)C)nc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZABHROQWWBPHW-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ccc2c(ccc3c4cc(OC)c(OC)cc4cnc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYSGADGZUVUMPE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1ccc2c(ccc3c4cc(OC)c(OC)cc4cnc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWOWZWQHPFBRJK-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUKMJPFBJVDEA-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDPVWNAJKSDUBI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQOOFPWSLNUZET-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUNAUWFXPHSQMP-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c4ccnc(NCCN(C)C)c4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNHLYSCSLRUIDQ-UHFFFAOYSA-N", "SMILES:COc1cc2cnc3c4ccnc(NCCCN(C)C)c4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVQQPJROUFIXNN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1nccc2c1ccc1c3cc(OC)c(OC)cc3cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVSTNZPUKEBED-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nccc2c1ccc1c3cc(OC)c(OC)cc3cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCUOZNAFNQHSNV-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nccc2c1ccc1c3cc4c(cc3cnc21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSMMPSWDRCNODN-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nccc2c1ccc1c3cc4c(cc3cnc21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAMZEJILAVQVEW-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(Cl)Cn2ncc3c(Nc4cccc(F)c4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDYQINDXPNAOKX-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXOHZASGISIFIC-RGCMKSIDSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2n1cc(Br)c(=O)[nH]c1=O"], "synonym": ["5-fluoro-6-amido-UMP"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHDHRMGDRLFLH-FLLFQEBCSA-N", "SMILES:NC(=O)c1[nH]nc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVKNFUDFHDSJQ-ZOQUXTDFSA-N", "SMILES:N#Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164992", "category": ["biolink:ChemicalEntity"], "name": "TRICIFEROL", "xref": ["InChIKey:QOEMKJVIXGOYHR-LEFFEYMYSA-N", "SMILES:CC(/C=C/C(=O)NO)=C\\[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\\C[C@@H](O)C[C@@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODFARBLGNNMTC-CJYHGTEESA-N", "SMILES:C[C@H](CCCC(=O)NO)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQOFDBAMMDVJMI-AHAWINGJSA-N", "SMILES:C[C@H](CCCCC(=O)NO)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFDPBMPFECRBTF-HSCCXWHYSA-N", "SMILES:C[C@H](CCCCC(=O)N(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDDVHVKFCSEGW-HSCCXWHYSA-N", "SMILES:CONC(=O)CCCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNZQYMDPFGQNAF-ZUAWBINXSA-N", "SMILES:CON(C)C(=O)CCCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXVNUNRGEFBJOP-WOOVRTBCSA-N", "SMILES:C[C@H](CCCCN(O)C=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCSFMSZINGVISH-WULWUCNBSA-N", "SMILES:C[C@H](CCCC(=O)Nc1ccccc1N)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZSCYVHOZGHUJC-RKERBXOMSA-N", "SMILES:C[C@H](CCCCC(=O)Nc1ccccc1N)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDJEYYLCBZVFQ-HALQZYIMSA-N", "SMILES:C[C@H](CCCNC(=O)CS)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OABZPOSBWXFOFX-AABZZBOGSA-N", "SMILES:C[C@H](CCCCNC(=O)CS)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQSUBEJSSDBIGO-UFKTZOCJSA-N", "SMILES:CCSC(=S)SC(=O)NCCCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVAROYXAOROOPW-PGPDLQSMSA-N", "SMILES:C[C@H](CCCNS(C)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTZQPSUFNAFLD-YLPIWGMZSA-N", "SMILES:C[C@H](CCCCNS(C)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDVNOKFGFVESNJ-PGPDLQSMSA-N", "SMILES:C[C@H](CCCCNS(=O)(=O)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJVPENUCWFEBV-MRLVZBOJSA-N", "SMILES:CCS(=O)(=O)NCCCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUCXTOYPGHOEKP-WSHBIXFZSA-N", "SMILES:C[C@H](CCCCNS(=O)(=O)CCO)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUCKIFEMGDZQF-GIXCGDJTSA-N", "SMILES:CCCCS(=O)(=O)NCCCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQDZCFQOGZGHJ-YRWUNVRQSA-N", "SMILES:C[C@H](CCCCNS(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQBPXDRLYDXLV-NSYLGTPCSA-N", "SMILES:C[C@H](CCCCNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQRRYNWWXUDZSM-MRLVZBOJSA-N", "SMILES:C[C@H](CCCCCNS(C)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFUCQBRVHAWOS-RSRWNDFGSA-N", "SMILES:C[C@H](CCCNS(N)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCODZXNORSDRD-PGPDLQSMSA-N", "SMILES:C[C@H](CCCCNS(N)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOCGBKCIQGOTKO-YLPIWGMZSA-N", "SMILES:C[C@H](CCCCCNS(N)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIPTNDFFFYUAL-KVWRIJGASA-N", "SMILES:COC(=O)C(=O)CCCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSJKYFJXRIDOPO-KVWRIJGASA-N", "SMILES:CNC(=O)C(=O)CCCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWSZAIIJPYQPI-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN(CCO)Cc2ccc(-c3cccs3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOBQWESJPPRNMC-WBAGBOGMSA-N", "SMILES:O=C(O)CC(C(=O)O)C1c2c(C(=O)O[C@H]3[C@H](OC(=O)c4cc(O)c(O)c(O)c4)O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)cc(O)c(O)c2OC(=O)C1O"], "chembl_natural_product": true}
{"name": "Insulin receptor substrate 1", "xref": ["CHEMBL.TARGET:CHEMBL1163110"], "id": "UniProtKB:P35570", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCVYZHYLPMWKM-ZETFRKMKSA-N", "SMILES:COC(=O)CC(C(=O)O)C1c2c(C(=O)O[C@H]3[C@H](OC(=O)c4cc(O)c(O)c(O)c4)O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)cc(O)c(O)c2OC(=O)C1O"], "chembl_natural_product": true}
{"name": "Insulin receptor", "xref": ["CHEMBL.TARGET:CHEMBL5486"], "id": "UniProtKB:P15127", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHCTIJEXFJOKI-ZRDIBKRKSA-N", "SMILES:COc1ccc(OC)c(C(=O)/C=C/c2cccc3ccccc23)c1"]}
{"name": "Low molecular weight protein-tyrosine phosphatase A", "xref": ["CHEMBL.TARGET:CHEMBL4542"], "id": "UniProtKB:P9WIA1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCWKGFFNOMSGD-DHZHZOJOSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAGVNDJNFSRJHP-JXMROGBWSA-N", "SMILES:COc1cc(C(=O)/C=C/c2ccc3ccccc3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKWBRSNEHBMVCF-DHZHZOJOSA-N", "SMILES:COc1ccc(OC)c(C(=O)/C=C/c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWCRUXGJDMVIY-OUKQBFOZSA-N", "SMILES:O=C(/C=C/c1cccc2ccccc12)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLDOJAWEIYORFI-UHFFFAOYSA-N", "SMILES:O=C(OCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMQNWAUGKFRNL-UHFFFAOYSA-N", "SMILES:O=C(OCCCCCCOC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVNLJMMUFRRTAY-UHFFFAOYSA-N", "SMILES:O=C(OCCCCCCCOC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFNSLNMLBHCHL-UHFFFAOYSA-N", "SMILES:O=C(OCCCCCCOC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228326", "category": ["biolink:ChemicalEntity"], "name": "NECTANDRIN B", "xref": ["InChIKey:GMXMKSFJQLFOSO-JARDSOJUSA-N", "SMILES:COc1cc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL444025", "category": ["biolink:ChemicalEntity"], "name": "NECTANDRIN A", "xref": ["InChIKey:YPQNDHHCUQGPFN-WVGOSAFVSA-N", "SMILES:COc1cc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1170325", "category": ["biolink:ChemicalEntity"], "name": "TETRAHYDROFUROGUAIACIN B", "xref": ["InChIKey:GMXMKSFJQLFOSO-SRRICDNISA-N", "SMILES:COc1cc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@@H](C)[C@H]2C)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1172241", "category": ["biolink:ChemicalEntity"], "name": "NERVIANO", "xref": ["InChIKey:VVKMHTWFAUCCOD-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2nn(CCCN)c3c2CCc2cnc(Nc4cccc(CC(=O)N(C)C)c4)nc2-3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLXVKJZIVPFQI-UHFFFAOYSA-N", "SMILES:CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFJXAXHQOTCBS-UHFFFAOYSA-N", "SMILES:CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZFBALHOWVGKN-GYHWCHFESA-N", "SMILES:COc1ccc(/N=c2\\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1"]}
{"name": "Aldo-keto reductase family 1 member B10", "xref": ["CHEMBL.TARGET:CHEMBL5983"], "id": "UniProtKB:O60218", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXILLAWLPHFBQ-UHFFFAOYSA-N", "SMILES:Cc1cc(SCc2cn(-c3ccc(C(F)(F)F)c(F)c3)nn2)ccc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNFPYQVXPSXQTG-UHFFFAOYSA-N", "SMILES:Cc1cc(SCc2cn(-c3ccc(OC(F)(F)F)c(Cl)c3)nn2)ccc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1169823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBCNBYULGGXJNL-UHFFFAOYSA-N", "SMILES:CC1(c2cccs2)CC(c2cccs2)=Nc2ccccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGRVCWIGSNHBP-UHFFFAOYSA-N", "SMILES:CC(CNC(=O)c1cccc2cc[nH]c12)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDBGRUNRRSKAT-UHFFFAOYSA-N", "SMILES:CC(CNC(=O)c1cccc2[nH]ccc12)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFANRWHZJMXANR-UHFFFAOYSA-N", "SMILES:CC(CNC(=O)c1c[nH]c2ccccc12)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEKXEFQQDMQQH-UHFFFAOYSA-N", "SMILES:CC(CNC(=O)c1cc2ccccc2[nH]1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHONNECJQGHUDG-UHFFFAOYSA-N", "SMILES:CC(CNC(=O)c1ccc2cc[nH]c2c1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJZVJTYHYOABS-UHFFFAOYSA-N", "SMILES:CC(CNC(=O)c1ccc2[nH]ccc2c1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQPYCPHUZZMDT-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc2cc[nH]c2c1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBNLMMKARBTIOL-UHFFFAOYSA-N", "SMILES:CCCN(C(=O)C(C)c1cccc(C(=O)c2ccccc2)c1)c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTUGOOXWWOIQNC-UHFFFAOYSA-N", "SMILES:CCCN(C(=O)C(C)c1cccc(C(=O)c2ccccc2)c1)c1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171837", "category": ["biolink:ChemicalEntity"], "name": "PONATINIB", "xref": ["InChIKey:PHXJVRSECIGDHY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"], "synonym": ["Ponatinib", "Ponatinib", "Ponatinib", "Ponatinib", "Ponatinib", "AP-24534", "AP24534", "Iclusig", "Ponatinib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1173608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDWIZBFMJYNGW-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNZGOQMIRFGZKL-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIUMTSLAFIREKA-IETGWRCWSA-N", "SMILES:CN1C(=O)CN([C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N2CCN(c3nc(NCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nc(N4CCN(C(=O)[C@H](CCCCN)N5CC(=O)N(C)[C@@H](CCC(=O)O)C5=O)CC4)n3)CC2)C(=O)[C@@H]1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKKNZUQHSYYIA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVFGVOHYJNEGD-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1c1cccc(CCc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPIKIQYFADSPRZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2ccccc2N2C(=O)c3ccccc3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNKDZOMBELOPQZ-CQSZACIVSA-N", "SMILES:O=CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL263376", "category": ["biolink:ChemicalEntity"], "name": "PHENYLTHIOUREA", "xref": ["InChIKey:FULZLIGZKMKICU-UHFFFAOYSA-N", "SMILES:NC(=S)Nc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1172781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGBAJCQZPJWCS-OAQYLSRUSA-N", "SMILES:OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZAKHNZDZWTDH-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c12.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLMVMQXWYMJJQA-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c2c1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1169718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFSHBXQGPCBMQX-RUSADAQMSA-N", "SMILES:COc1cc(C)cc2c1C(=O)c1c(O)cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)cc1C2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNEOZWOKTPHARL-ZCHCQRBWSA-N", "SMILES:CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)cc1C2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVAOYJUIXGHAOO-JRTOFOEPSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](C)O[C@@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNQHDPLSQKCFV-QXXCCVGTSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)[C@@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1172211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYMSPZRMYIEPRZ-RYZDSRLASA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496999", "category": ["biolink:ChemicalEntity"], "name": "FRANGULIN B", "xref": ["InChIKey:AEQMIFRODRFTJF-SLFFLAALSA-N", "SMILES:Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL47386", "category": ["biolink:ChemicalEntity"], "name": "EPIGALLOCATECHIN", "xref": ["InChIKey:XMOCLSLCDHWDHP-IUODEOHRSA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL559294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJHAAZDURGGSC-TZIWHRDSSA-N", "SMILES:COc1c(O)cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL583912", "category": ["biolink:ChemicalEntity"], "name": "(-)-EPICATECHIN", "xref": ["InChIKey:PFTAWBLQPZVEMU-UKRRQHHQSA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2"], "synonym": ["(-)-epi catechin", "(-)-epicatechin", "(-)-epicatechol", "Epi-catechin", "Epi-catechol", "Epicatechin", "Epicatechol", "L-acacatechin", "L-epicatechin", "NSC-81161", "(-)-epicatechin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL562716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRDOLPMKOCJRJ-DENIHFKCSA-N", "SMILES:COc1cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1093050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUWDJQZPQKPAA-TZIWHRDSSA-N", "SMILES:COc1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL307145", "category": ["biolink:ChemicalEntity"], "name": "PYROGALLOL", "xref": ["InChIKey:WQGWDDDVZFFDIG-UHFFFAOYSA-N", "SMILES:Oc1cccc(O)c1O"], "synonym": ["Pyrogallol", "NSC-5035"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1169872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEEICCWUIHVZOD-UHFFFAOYSA-N", "SMILES:COC(=O)c1cssc1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQXWLLCHJDXICG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCc2c1ssc2=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDAPCMJAOQZSU-KQQUZDAGSA-N", "SMILES:Cn1cc(/C=C/C(=O)c2cccc(F)c2)cc1/C=C/C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGHGIMKSBEUMD-SLQHSKKLSA-N", "SMILES:CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2nc(cs2)C(=O)N[C@@H](C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRSPHWOZMHPVOQ-BWBAVGLMSA-N", "SMILES:CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](Cc3ccccc3)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCEIHOKCTXCFBI-SJQSDZARSA-N", "SMILES:CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](CC)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQJPLUKKMJSIY-WVNXAOKXSA-N", "SMILES:CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@H](CS2)C(=O)N[C@@H](C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173445", "category": ["biolink:ChemicalEntity"], "name": "LARGAZOLE", "xref": ["InChIKey:AXESYCSCGBQJBL-SZPBEECKSA-N", "SMILES:CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1210154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUWKHKELQQYRI-KGENOOAVSA-N", "SMILES:C/C(=N\\OC(=O)Nc1ccccc1)c1cccc(-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1208951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQERPSZQVAXWHF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(Cl)cc5)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBZUPKMHCWADDF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1"]}
{"name": "Capsid scaffolding protein", "xref": ["CHEMBL.TARGET:CHEMBL4296290"], "id": "UniProtKB:Q2HRB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:868565"]}
{"name": "Granzyme B", "xref": ["CHEMBL.TARGET:CHEMBL2316"], "id": "UniProtKB:P10144", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZZTTXGFQGOTL-UVTDQMKNSA-N", "SMILES:O=C(O)/C=C(/CCc1ccc(Br)cc1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCVQVUIFZMEGA-WENCVOHMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYOHQIGNKGEAS-FRYPORLUSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](COCC(=O)Nc2ccc(/N=N\\c3ccc(NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYOHQIGNKGEAS-RWZBNQIZSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](COCC(=O)Nc2ccc(/N=N/c3ccc(NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNLEHURVTXWKF-NRFANRHFSA-N", "SMILES:O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc4ccccc34)cc(=O)n21"]}
{"name": "Major curlin subunit", "xref": ["CHEMBL.TARGET:CHEMBL3309018"], "id": "UniProtKB:P28307", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPFJRHBZWQVMO-NRFANRHFSA-N", "SMILES:O=C(O)[C@@H]1CSc2c(-c3ccc(F)c(F)c3)c(Cc3ccc4ccccc4c3)cc(=O)n21"]}
{"name": "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI", "xref": ["CHEMBL.TARGET:CHEMBL3308935"], "id": "UniProtKB:Q9ZFE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDSMVVNYVJZDET-VOTSOKGWSA-N", "SMILES:Cc1cc(/C=C/c2cccc(C(=O)Oc3ccc(F)cc3)c2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNQOBGKYCCYBB-ZHACJKMWSA-N", "SMILES:Cc1cc(/C=C/c2cccc(C(=O)Oc3ccccc3[N+](=O)[O-])c2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFWECMBRQGCCF-VAWYXSNFSA-N", "SMILES:Cc1cc(/C=C/c2cccc(C(=O)Sc3ccccc3)c2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDLWIRTZPFMMQ-MDZDMXLPSA-N", "SMILES:O=C(Sc1ccccc1)c1cccc(/C=C/c2cc(Br)c(O)c(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHJILKLHYMSEL-CMDGGOBGSA-N", "SMILES:Cc1cc(/C=C/c2ccc(C(=O)Sc3ccccc3)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZPQBNUYOBTJY-BQYQJAHWSA-N", "SMILES:Cc1cc(/C=C/c2ccc(C(=O)Oc3ccccc3[N+](=O)[O-])cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPBLAGZPFBLNKS-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/c2ccc(C(=O)Oc3ccc(F)cc3)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAHKYLUYTGBFNW-CMDGGOBGSA-N", "SMILES:Cc1cc(/C=C/c2ccccc2)cc(C)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL442167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFCFXZNDOSLIL-VOTSOKGWSA-N", "SMILES:Cc1cc(/C=C/c2cccc(C(=O)O)c2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJRILGAXBHXDZ-GOTSBHOMSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNMCTLCPQSJJAP-SFTDATJTSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCUJKCRUXHIWHW-AGPXJEMRSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCO)CCCC)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXHMKSDJHHTDU-VWOHJUMJSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCCC)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJEJHNVKWLOQHP-SEIUTMEKSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCCC)CCCO)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQSQKAGYRKVHH-HUANKBEQSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCCC)CC(C)(C)O)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMPCVGLSKFXHR-JUTHDLPNSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1214621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFMTXDIGGYUDP-GLIRBNIOSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CC)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKAGNRTWXXOESX-LQGIGFFQSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCCCO)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJBOAPFTSKXIR-PXIOBPQKSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGZPBYJMAWTHF-HCMYXCKPSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCCO)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216462", "category": ["biolink:ChemicalEntity"], "name": "INDOTECAN", "xref": ["InChIKey:FMFIFGLHVOZDEL-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1196228", "category": ["biolink:ChemicalEntity"], "name": "INDIMITECAN", "xref": ["InChIKey:GCILEJUNEYIABW-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOXQYLJOQAHST-ZDUSSCGKSA-N", "SMILES:CC(C)S(=O)(=O)NC[C@H](C)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEQISNRIFKVAM-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHLBKGFPBFFUAD-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(S(=O)(=O)N(C)C)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTQWHBZIDRECZ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(C#N)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXMLTSZMHGHDD-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPSGNLPKUWWXQQ-UHFFFAOYSA-N", "SMILES:CC(=O)Cc1cccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOBKWKBKHTRHL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTKAUYATGKDLDA-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALRWRJAFXHMUJA-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(CN4CCCC4=O)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEBVYFHUZGQKNN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGGJMVDQRUQSH-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(N(C)S(C)(=O)=O)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFISGDWUAHNUKJ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(CN4CCCS4(=O)=O)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYFFQMUEOPGGBU-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccnc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYSOHQIRVSYPNJ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccnc3F)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQSUBKWSHMXDP-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3ccc(F)nc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJCBJSFCCCGCI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGEABTFMCTZXTF-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3cncc(C#N)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKJWXCCFDRJTF-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccc2c(c1)CC(NS(=O)(=O)C(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCJKHBCJMIOPJS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQSUBKWSHMXDP-MRXNPFEDSA-N", "SMILES:CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(-c3ccc(F)nc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214399", "category": ["biolink:ChemicalEntity"], "name": "GSK-729327", "xref": ["InChIKey:QXQSUBKWSHMXDP-INIZCTEOSA-N", "SMILES:CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3ccc(F)nc3)cc2C1"], "synonym": ["Gsk-729327", "Gsk729327"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCJKHBCJMIOPJS-SFHVURJKSA-N", "SMILES:Cc1ccc(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)C(C)C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJVMDGUSBHUPRY-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3ccc(F)cn3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYPZADYPKMLUQI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTNOXKYIPZZCF-UHFFFAOYSA-N", "SMILES:Cc1cccnc1-c1ccc2c(c1)CC(NS(=O)(=O)C(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYPRGGZMVDCNQR-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC1Cc2ccc(-c3ccc(Cl)cn3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJVMDGUSBHUPRY-INIZCTEOSA-N", "SMILES:CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3ccc(F)cn3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570841", "category": ["biolink:ChemicalEntity"], "name": "MIRIN", "xref": ["InChIKey:YBHQCJILTOVLHD-YVMONPNESA-N", "SMILES:N=C1NC(=O)/C(=C/c2ccc(O)cc2)S1"]}
{"name": "Double-strand break repair protein MRE11", "xref": ["CHEMBL.TARGET:CHEMBL3308929"], "id": "UniProtKB:P49959", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212977", "category": ["biolink:ChemicalEntity"], "name": "TERAIODOPHENOLPHATHALIN", "xref": ["InChIKey:XFVAPPZPLDQBHT-UHFFFAOYSA-N", "SMILES:O=C1C(I)=CC(=C(c2ccccc2C(=O)O)C2C=C(I)C(=O)C(I)=C2)C=C1I"]}
{"name": "Eukaryotic peptide chain release factor GTP-binding subunit", "xref": ["CHEMBL.TARGET:CHEMBL3308902"], "id": "UniProtKB:P05453", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268868", "category": ["biolink:ChemicalEntity"], "name": "DAPH", "xref": ["InChIKey:AAALVYBICLMAMA-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCKLAOJYIUCSKW-PTEUMSKBSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](COCC(=O)Nc2ccc(/N=N\\c3ccc(NC(=O)COC[C@H]4NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C4=O)cc3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"]}
{"name": "1-deoxy-D-xylulose 5-phosphate reductoisomerase", "xref": ["CHEMBL.TARGET:CHEMBL4091"], "id": "UniProtKB:P45568", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Uncharacterized protein YdiL", "xref": ["CHEMBL.TARGET:CHEMBL3309035"], "id": "UniProtKB:P76196", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRZNGLZDQHVIOO-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CN=C(SCc3ccc(Cl)cc3)NC2)cc1OC"]}
{"name": "Outer-membrane lipoprotein carrier protein", "xref": ["CHEMBL.TARGET:CHEMBL3309024"], "id": "UniProtKB:P61316", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Outer membrane protein TolC", "xref": ["CHEMBL.TARGET:CHEMBL3309023"], "id": "UniProtKB:P02930", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1757", "category": ["biolink:ChemicalEntity"], "name": "FOSFOMYCIN", "xref": ["InChIKey:YMDXZJFXQJVXBF-STHAYSLISA-N", "SMILES:C[C@@H]1O[C@@H]1P(=O)(O)O"], "synonym": ["Fosfomycin", "Fosfomycin", "Fosfomycin calcium", "Fosfomycin", "Fosfomycine", "Fosfomicina", "Fosfomycin", "Fosfomycin calcium", "Fosfomycin calcium hydrate", "Fosfomycin sodium", "Fosfomycin", "Calcium fosfomycin", "Fosfomycin", "Zti-01", "J01XX01", "NSC-758170", "ZTI-01", "Fosfocina", "Fosfomycin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Dihydrofolate synthase/folylpolyglutamate synthase", "xref": ["CHEMBL.TARGET:CHEMBL3309008"], "id": "UniProtKB:P08192", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Cell division protein FtsA", "xref": ["CHEMBL.TARGET:CHEMBL3309010"], "id": "UniProtKB:P0ABH0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Iron-sulfur cluster insertion protein ErpA", "xref": ["CHEMBL.TARGET:CHEMBL3309017"], "id": "UniProtKB:P0ACC3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "D-alanine--D-alanine ligase B", "xref": ["CHEMBL.TARGET:CHEMBL1956"], "id": "UniProtKB:P07862", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "tRNA threonylcarbamoyladenosine biosynthesis protein TsaE", "xref": ["CHEMBL.TARGET:CHEMBL3309030"], "id": "UniProtKB:P0AF67", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1167", "category": ["biolink:ChemicalEntity"], "name": "SPECTINOMYCIN", "xref": ["InChIKey:UNFWWIHTNXNPBV-WXKVUWSESA-N", "SMILES:CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O"], "synonym": ["Spectinomycin", "Spectinomycin", "Spectinomycin", "Spectinomycine", "Espectinomicina", "Spectinomycin", "Actinospectacin", "Adspec", "Prospec", "Spectinomycin", "CHX-3101"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Acyl carrier protein", "xref": ["CHEMBL.TARGET:CHEMBL3309006"], "id": "UniProtKB:P0A6A8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "3-oxoacyl-[acyl-carrier-protein] synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL4913"], "id": "UniProtKB:P0A953", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Octaprenyl diphosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL3309021"], "id": "UniProtKB:P0AD57", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Transcriptional regulatory protein BaeR", "xref": ["CHEMBL.TARGET:CHEMBL3309029"], "id": "UniProtKB:P69228", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Protein YdfW", "xref": ["CHEMBL.TARGET:CHEMBL3309034"], "id": "UniProtKB:P76164", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Glycerate 3-kinase", "xref": ["CHEMBL.TARGET:CHEMBL3309014"], "id": "UniProtKB:P77364", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Long-chain fatty acid transport protein", "xref": ["CHEMBL.TARGET:CHEMBL3309022"], "id": "UniProtKB:P10384", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Intermembrane phospholipid transport system binding protein MlaB", "xref": ["CHEMBL.TARGET:CHEMBL3309025"], "id": "UniProtKB:P64602", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "4-hydroxy-tetrahydrodipicolinate reductase", "xref": ["CHEMBL.TARGET:CHEMBL3309005"], "id": "UniProtKB:P04036", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Thymidylate kinase", "xref": ["CHEMBL.TARGET:CHEMBL3309028"], "id": "UniProtKB:P0A720", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "UDP-N-acetylmuramoylalanine--D-glutamate ligase", "xref": ["CHEMBL.TARGET:CHEMBL4732"], "id": "UniProtKB:P14900", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Phosphatidylglycerol--prolipoprotein diacylglyceryl transferase", "xref": ["CHEMBL.TARGET:CHEMBL3309026"], "id": "UniProtKB:P60955", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Cell shape-determining protein MreC", "xref": ["CHEMBL.TARGET:CHEMBL3309012"], "id": "UniProtKB:P16926", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANAMPMZPUJRLL-UHFFFAOYSA-N", "SMILES:CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKOAUGRWEJDVCB-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(Cc2c[nH]c3c(Cl)cccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGONMECBFMCKBS-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPHONOZCKMNSAN-ICSRJNTNSA-N", "SMILES:COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL195008", "category": ["biolink:ChemicalEntity"], "name": "NECROSTATIN", "xref": ["InChIKey:TXUWMXQFNYDOEZ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL17331", "category": ["biolink:ChemicalEntity"], "name": "PD-169316", "xref": ["InChIKey:BGIYKDUASORTBB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1"]}
{"name": "Antitoxin YefM", "xref": ["CHEMBL.TARGET:CHEMBL3309007"], "id": "UniProtKB:P69346", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "tRNA(Ile)-lysidine synthase", "xref": ["CHEMBL.TARGET:CHEMBL3309031"], "id": "UniProtKB:P52097", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Cell division protein FtsX", "xref": ["CHEMBL.TARGET:CHEMBL3309011"], "id": "UniProtKB:P0AC30", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Glutamyl-tRNA reductase", "xref": ["CHEMBL.TARGET:CHEMBL3309013"], "id": "UniProtKB:P0A6X1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Multifunctional CCA protein", "xref": ["CHEMBL.TARGET:CHEMBL3309020"], "id": "UniProtKB:P06961", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Uncharacterized protein YdfB", "xref": ["CHEMBL.TARGET:CHEMBL3309033"], "id": "UniProtKB:P29009", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Putative reactive intermediate deaminase TdcF", "xref": ["CHEMBL.TARGET:CHEMBL3309027"], "id": "UniProtKB:P0AGL2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Fructose-bisphosphate aldolase class 2", "xref": ["CHEMBL.TARGET:CHEMBL4912"], "id": "UniProtKB:P0AB71", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Guanylate kinase", "xref": ["CHEMBL.TARGET:CHEMBL3309016"], "id": "UniProtKB:P60546", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "1-acyl-sn-glycerol-3-phosphate acyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3309004"], "id": "UniProtKB:P26647", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase", "xref": ["CHEMBL.TARGET:CHEMBL3309032"], "id": "UniProtKB:P22188", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3309009"], "id": "UniProtKB:P0ABF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "UDP-3-O-acyl-N-acetylglucosamine deacetylase", "xref": ["CHEMBL.TARGET:CHEMBL5244"], "id": "UniProtKB:P0A725", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Multidrug efflux pump subunit AcrB", "xref": ["CHEMBL.TARGET:CHEMBL1681614"], "id": "UniProtKB:P31224", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXLLRNNFUYEADZ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ccccc2c1"]}
{"name": "Phospholipase D1", "xref": ["CHEMBL.TARGET:CHEMBL3308939"], "id": "UniProtKB:P70496", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQFFYVYBFUVPGG-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc(Br)c(Br)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIFAFUXFFWVNQ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc2ccccc2c1"]}
{"name": "Phospholipase D2", "xref": ["CHEMBL.TARGET:CHEMBL3309055"], "id": "UniProtKB:P97813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOMHAPZIAUVSW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)N(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)c1ccc(Cl)cc1"]}
{"name": "Phospholipase D2", "xref": ["CHEMBL.TARGET:CHEMBL2734"], "id": "UniProtKB:O14939", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOAOMZJBPMBQS-VQTJNVASSA-N", "SMILES:O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@@H]1C[C@H]1c1ccccc1"]}
{"name": "Phospholipase D1", "xref": ["CHEMBL.TARGET:CHEMBL3309054"], "id": "UniProtKB:Q9Z280", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRIMIUYGTDAQOX-KRWDZBQOSA-N", "SMILES:C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1"]}
{"name": "Phospholipase D1", "xref": ["CHEMBL.TARGET:CHEMBL2536"], "id": "UniProtKB:Q13393", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEYLGADIZPNOZ-RTLQKPCFSA-N", "SMILES:C[C@H]1COC(=O)[C@@H](N)CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1"]}
{"name": "Sonic hedgehog protein", "xref": ["CHEMBL.TARGET:CHEMBL5387"], "id": "UniProtKB:Q62226", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473392", "category": ["biolink:ChemicalEntity"], "name": "ROBOTNIKININ", "xref": ["InChIKey:DRDSZZCLAHXSAE-BQIDRLATSA-N", "SMILES:O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254129", "category": ["biolink:ChemicalEntity"], "name": "CYCLOPAMINE", "xref": ["InChIKey:QASFUMOKHFSJGL-LAFRSMQTSA-N", "SMILES:CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C"], "chembl_natural_product": true}
{"name": "Sonic hedgehog protein", "xref": ["CHEMBL.TARGET:CHEMBL5602"], "id": "UniProtKB:Q15465", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEONATBGXKSLJH-GCRSFRQPSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCCCCNC(=O)c2cccc(S(=O)(=O)OCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)cc1"]}
{"name": "Carbonic anhydrase 2", "xref": ["CHEMBL.TARGET:CHEMBL3689"], "id": "UniProtKB:P00920", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2368869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUXWVWUGAUBSQ-JJGSWTISSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCNC(=O)c2cccc(S(=O)(=O)OCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213480", "category": ["biolink:ChemicalEntity"], "name": "(S)-FTY720P", "xref": ["InChIKey:RASFIZFJJXYQFE-SFHVURJKSA-N", "SMILES:CCCCCCCCc1ccc(C[C@](N)(CO)COP(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVUJEHNTWUAWJV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)NCC(C)C)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLLBGXYIYBYKJ-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1sc2nc(C)cc(C)c2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSCGHNHMVLSNTM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)NC(C)(C)C)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPIXVFXQKCVSJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)NC3CC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCAYWJFTDPUQKE-GFCCVEGCSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)N[C@H](C)c3ccccc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXOKDDBISJSCIV-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1sc2nc(C)cc(C)c2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSLBQWSGJCDLL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)NC(C)C)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPQYKDHFUUDKK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLOKLFSWDKPNP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)NCc3ccco3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1212994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPRULFHDSFKYBV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(Cl)cc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PROUHBZGWQMIIU-OAQYLSRUSA-N", "SMILES:O=C(N1CCc2cc(O)ccc2[C@H]1c1ccc(OCCN2CCCC2)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMUPSFMXVHHMX-HHHXNRCGSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2cc(O)ccc2[C@H]1c1ccc(OCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFWJMJCDPFQUJT-WJOKGBTCSA-N", "SMILES:O=S(=O)(c1ccc2ccccc2c1)N1CCc2cc(O)ccc2[C@H]1c1ccc(OCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNFSENFVEFYGPS-UHFFFAOYSA-N", "SMILES:O=C(N1CCc2cc(O)ccc2C1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZQJMVFMFCSHHO-OEQDKMDKSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213646", "category": ["biolink:ChemicalEntity"], "name": "CALCDPWW", "xref": ["InChIKey:MDCUGGQOKOLFIX-ISAGUOPWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBTYDRCKQCPHO-MRCLABRJSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYOJESBKIVXDD-DISOGWJASA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJNBPFRRHLZTE-UHFFFAOYSA-N", "SMILES:NC(=O)C(Cc1ccccc1)NC(=O)NC(=O)c1ccc(-c2cccc(O)c2)s1"]}
{"name": "Hematopoietic prostaglandin D synthase", "xref": ["CHEMBL.TARGET:CHEMBL3309049"], "id": "UniProtKB:Q9JHF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIQDTIPATXJLMH-UHFFFAOYSA-N", "SMILES:NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZQGXAHOROZEKN-UHFFFAOYSA-N", "SMILES:c1ccc(C(OC2CCN(CCCc3nnn[nH]3)CC2)c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1215586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEMQYMLOJAKNFY-OVCLIPMQSA-N", "SMILES:COc1cc2c(/C=C3/C(=O)Nc4cc(Cl)ccc43)c(Cl)n(C)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178459", "category": ["biolink:ChemicalEntity"], "name": "OLTIPRAZ", "xref": ["InChIKey:CKNAQFVBEHDJQV-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cnccn2)ssc1=S"], "synonym": ["Oltipraz", "Oltipraz", "NSC-347901"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL368700", "category": ["biolink:ChemicalEntity"], "name": "DITHIOLETHIONE", "xref": ["InChIKey:LZENMJMJWQSSNJ-UHFFFAOYSA-N", "SMILES:S=c1ccss1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL178862", "category": ["biolink:ChemicalEntity"], "name": "ANETHOLTRITHION", "xref": ["InChIKey:KYLIZBIRMBGUOP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=S)ss2)cc1"], "synonym": ["Anethole trithione", "Anetholtrithion", "OP-2113", "OP2113"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1214672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSTMNVBDDNVTBN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1214673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEBSTJAHSLVEA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1cc(O)cc(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL416038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQDLBPGHPAIXKL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1cccc(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COUQHIRIFUVLDU-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCOc1cccc(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBHQYBZRTAEHRR-UHFFFAOYSA-N", "SMILES:CCCCCCCc1ccc(CCc2cccc(O)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFQGMRIUTGHBCX-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZDPKRARAHZRG-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCCCc1cccc(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTUSBQKQHUSQE-FLIBITNWSA-N", "SMILES:CCCCCOc1ccc(/C=C\\c2cccc(O)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNIWSQGPKWTEIU-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(OCCCN)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOPZUOIZRHXLCT-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(OCCN)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHEJEJNXLAWPSZ-XNZAUPJISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"name": "DNA repair protein RAD51 homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL2034807"], "id": "UniProtKB:Q06609", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEIUXCHCRAUMP-SRJRRBQKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGZBBHEGKQNQU-JNVWVPGISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDABHLQCDMOFIR-LNCJGMMUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAPJDQIJUHWVCP-LNCJGMMUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHYHTDQJAKBYOW-JNVWVPGISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRBBXGKBLNJHJ-ACEBTPPHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBWZKHROQMQSE-HHOBEPOFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16901", "category": ["biolink:ChemicalEntity"], "name": "HONOKIOL", "xref": ["InChIKey:FVYXIJYOAGAUQK-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1215869", "category": ["biolink:ChemicalEntity"], "name": "PHYTANIC ACID", "xref": ["InChIKey:RLCKHJSFHOZMDR-PWCSWUJKSA-N", "SMILES:CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL367149", "category": ["biolink:ChemicalEntity"], "name": "DOCONEXENT", "xref": ["InChIKey:MBMBGCFOFBJSGT-KUBAVDMBSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O"], "synonym": ["Doconexent", "Doconexento", "Docosahexaenoic acid", "22:6 n-3", "C22:6 (n-3)", "Cervonic acid", "Doconexent", "Docosaheaenoic-acid", "Docosahexaenoate", "Docosahexaenoic acid", "Docosahexaenoic acid (c22:6 n3)", "Docosahexanoic acid", "Docosahexaenoic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL422904", "category": ["biolink:ChemicalEntity"], "name": "22(R)-HYDROXYCHOLESTEROL", "xref": ["InChIKey:RZPAXNJLEKLXNO-GFKLAVDKSA-N", "SMILES:CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1215106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGRGYBLAHPYOM-HOLMNUNMSA-N", "SMILES:O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1215040", "category": ["biolink:ChemicalEntity"], "name": "LINOCINNAMARIN", "xref": ["InChIKey:KPYQJVYNSWDFQU-ORXIWHNOSA-N", "SMILES:COC(=O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL27246", "category": ["biolink:ChemicalEntity"], "name": "CINNAMIC ACID", "xref": ["InChIKey:WBYWAXJHAXSJNI-VOTSOKGWSA-N", "SMILES:O=C(O)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1215942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVXSEZBTVKAOG-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccco3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPWLKHIIUEHTR-IHKMYNNBSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C/C(=O)O"]}
{"name": "Cellular retinoic acid-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4345"], "id": "UniProtKB:P51673", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGRHZWMXIAQHNL-RMBLDVLJSA-N", "SMILES:C/C=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYTUCTYDVKVRFD-UXTHVSFZSA-N", "SMILES:CC(C)=CCC/C=C/CC/C(C)=C/CC/C(C)=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKKQMNUCDZWPPK-YRSVVNRUSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C=C/CC/C(C)=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBTDOQATPTVBOJ-PGMHBOJBSA-N", "SMILES:CCOC(=O)CCc1c(/C=C2\\C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)[nH]c2c1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUAYDSPKYLLJV-XLNRJJMWSA-N", "SMILES:CN(C)CCCc1c(/C=C2\\C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)[nH]c2c1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACCEWDQLIBKAZ-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIZACSOTRSXCHC-UHFFFAOYSA-N", "SMILES:c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWDRALEEPGBHB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1"]}
{"name": "Pkd1", "synonym": ["Polycystin-1"], "xref": ["CHEMBL.TARGET:CHEMBL1687686"], "id": "UniProtKB:Q9ERV0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMOBEVMIJDLKKG-UHFFFAOYSA-N", "SMILES:C[S+]([O-])(=S)CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089316", "category": ["biolink:ChemicalEntity"], "name": "CHAETOCIN", "xref": ["InChIKey:PZPPOCZWRGNKIR-PNVYSBBASA-N", "SMILES:CN1C(=O)[C@@]23C[C@]4([C@]56C[C@@]78SS[C@@](CO)(C(=O)N7[C@H]5Nc5ccccc56)N(C)C8=O)c5ccccc5N[C@@H]4N2C(=O)[C@]1(CO)SS3"], "chembl_natural_product": true}
{"name": "Histone-lysine N-methyltransferase Su(var)3-9", "xref": ["CHEMBL.TARGET:CHEMBL2169720"], "id": "UniProtKB:P45975", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTQNTPXDZSRZDH-IKLFXBHTSA-N", "SMILES:COc1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(C)C(CCC(=O)NCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)OCc4ccccc4)C(=O)COC(=O)c4c(C)cccc4C)=C(C)C2=C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVICJSZCXKHVGH-JHHHGUMYSA-O", "SMILES:COc1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(C)C(CCC(=O)NCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)OCc4ccccc4)C(=O)COC(=O)CNC(=O)C4CCN(S(=O)(=O)c5ccccc5-c5c6cc/c(=[N+](/C)c7ccccc7)cc-6oc6cc(Nc7ccccc7)ccc56)CC4)=C(C)C2=C3)cc1"]}
{"name": "Cathepsin B", "xref": ["CHEMBL.TARGET:CHEMBL2323"], "id": "UniProtKB:P07688", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSWBMPJSFLERA-UHFFFAOYSA-N", "SMILES:O=C(NCCOCCOCCNc1nc(NCCc2ccc(O)c(O)c2)nc(Nc2ccccc2)n1)c1ccccc1"]}
{"name": "Glyceraldehyde-3-phosphate dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL1075199"], "id": "UniProtKB:P46406", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Glyceraldehyde-3-phosphate dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL3309048"], "id": "UniProtKB:P16858", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206468", "category": ["biolink:ChemicalEntity"], "name": "AFEGOSTAT", "xref": ["InChIKey:QPYJXFZUIJOGNX-HSUXUTPPSA-N", "SMILES:OC[C@H]1CNC[C@@H](O)[C@@H]1O"], "synonym": ["Afegostat", "Isofagomine", "Isofagomine", "Afegostat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1221698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCURGKYXBXHODK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C(=O)CF)n(CCCNCC#N)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXHSOUZPMHNIZ-UHFFFAOYSA-N", "SMILES:O=C1NCCc2[nH]c(-c3ccncc3)cc21"]}
{"name": "Ribosomal protein S6 kinase alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL3297641"], "id": "UniProtKB:P18654", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221517", "category": ["biolink:ChemicalEntity"], "name": "CYTOSPORONE B", "xref": ["InChIKey:UVVWQQKSNZLUQA-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC"], "chembl_natural_product": true}
{"name": "Nuclear receptor subfamily 4immunitygroup A member 1", "xref": ["CHEMBL.TARGET:CHEMBL1293229"], "id": "UniProtKB:P22736", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear receptor subfamily 4 group A member 1", "xref": ["CHEMBL.TARGET:CHEMBL3308901"], "id": "UniProtKB:P12813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46294", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROFOLIC ACID", "xref": ["InChIKey:OZRNSSUDZOLUSN-LBPRGKRZSA-N", "SMILES:Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)=N2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1499", "category": ["biolink:ChemicalEntity"], "name": "CORTISONE", "xref": ["InChIKey:MFYSYFVPBJMHGN-ZPOLXVRWSA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"], "synonym": ["Cortisone", "Cortisone", "Cortisone", "NSC-9703", "Cortisone"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1221705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOJBRVVDFUMEI-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVVCSZODUSUMM-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESRMYWARYDYEF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLARSBPMWIGTG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)(c2ccc(OC)cc2)C2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEGYOKHGGFKMCX-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1221826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDHFQYOUKZSFKV-QWRGUYRKSA-N", "SMILES:N[C@@H](CC(=O)N[C@@H](CCC(=O)O)c1ccccc1)C(=O)O"]}
{"name": "General amino-acid permease GAP1", "xref": ["CHEMBL.TARGET:CHEMBL3308953"], "id": "UniProtKB:P19145", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESXFEZIFXFIQR-LURJTMIESA-N", "SMILES:CC(C)C[C@H](N)C(=O)NCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1221825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBHKGYCLBUIBC-UFYCRDLUSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575060", "category": ["biolink:ChemicalEntity"], "name": "GLUTAMIC ACID", "xref": ["InChIKey:WHUUTDBJXJRKMK-VKHMYHEASA-N", "SMILES:N[C@@H](CCC(=O)O)C(=O)O"], "synonym": ["Glutamic acid", "Acide glutamique", "Acido glutamico", "L-glutamic acid", "Glutamic acid", "Glutamic acid", "Glutamic acid, l-", "Glutamidex", "L-2-amino-pentanedioic acid", "L-alpha-aminoglutaric acid", "L-glutamate", "L-glutamic acid", "E 620", "E-620", "E620", "FEMA NO. 3285", "INS NO.620", "INS-620", "NSC-143503", "Glutamic acid", "Glutamic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL54922", "category": ["biolink:ChemicalEntity"], "name": "PROLINE", "xref": ["InChIKey:ONIBWKKTOPOVIA-BYPYZUCNSA-N", "SMILES:O=C(O)[C@@H]1CCCN1"], "synonym": ["Proline", "Prolina", "L-proline", "L-2-pyrrolidinecarboxylic acid", "FEMA NO. 3319", "NSC-46703", "Proline", "Proline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL301523", "category": ["biolink:ChemicalEntity"], "name": "PHENYLALANINE", "xref": ["InChIKey:COLNVLDHVKWLRT-QMMMGPOBSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)O"], "synonym": ["Phenylalanine", "Fenilalanina", "L-phenylalanine", "Phenylalanine", "Phenylalanine", "Laevo-phenyl alanine", "Phenylalanine", "FEMA NO. 3585", "NSC-79477", "Phenylalanine", "L-phenylalanine", "Phenylalanine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL925", "category": ["biolink:ChemicalEntity"], "name": "TYROSINE", "xref": ["InChIKey:OUYCCCASQSFEME-QMMMGPOBSA-N", "SMILES:N[C@@H](Cc1ccc(O)cc1)C(=O)O"], "synonym": ["Tyrosine", "Tyrosine", "Tirosina", "L-tyrosine", "Tyrosine", "Tyrosine", "FEMA NO. 3736", "NSC-82624", "Tyrosine", "L-tyrosine", "Levodopa impurity, l-tyrosine-", "Levodopa related compound l-tyrosine", "Tyrosine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL291747", "category": ["biolink:ChemicalEntity"], "name": "THREONINE", "xref": ["InChIKey:AYFVYJQAPQTCCC-GBXIJSLDSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)O"], "synonym": ["Threonine", "Treonina", "L-threonine", "FEMA NO. 4710", "NSC-16589", "NSC-46701", "Threonine", "Threonine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL274323", "category": ["biolink:ChemicalEntity"], "name": "ASPARTIC ACID", "xref": ["InChIKey:CKLJMWTZIZZHCS-REOHCLBHSA-N", "SMILES:N[C@@H](CC(=O)O)C(=O)O"], "synonym": ["Aspartic acid", "Acide aspartique", "Acido aspartico", "L-aspartic acid", "Aspartic acid", "Aspartate", "Aspartic acid", "Aspartic acid, l-", "Aspartic acid,l", "Deamidated asparagine", "FEMA NO. 3656", "NSC-3973", "Aspartic acid", "Aspartic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL11298", "category": ["biolink:ChemicalEntity"], "name": "SERINE", "xref": ["InChIKey:MTCFGRXMJLQNBG-REOHCLBHSA-N", "SMILES:N[C@@H](CO)C(=O)O"], "synonym": ["Serine", "Serina", "L-serine", "Serine", "L-(-)-serine", "Serine", "NSC-118365", "Serine", "L-serine", "Serine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL444814", "category": ["biolink:ChemicalEntity"], "name": "L-CITRULLINE", "xref": ["InChIKey:RHGKLRLOHDJJDR-BYPYZUCNSA-N", "SMILES:NC(=O)NCCC[C@H](N)C(=O)O"], "synonym": ["Citrulline", "Citrulline", "L-citrulline", "NSC-27425", "L-citrulline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL409450", "category": ["biolink:ChemicalEntity"], "name": "6BIO", "xref": ["InChIKey:DDLZLOKCJHBUHD-WAVHTBQISA-N", "SMILES:O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\\O"], "chembl_natural_product": true}
{"name": "Glycogen synthase kinase 3 beta", "synonym": ["Glycogen synthase kinase-3 beta"], "xref": ["CHEMBL.TARGET:CHEMBL3308994"], "id": "UniProtKB:Q9IBD2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221622", "category": ["biolink:ChemicalEntity"], "name": "biotin-geranylpyrophosphate", "xref": ["InChIKey:BSODMXAKARYELM-ILVJLRRUSA-N", "SMILES:C/C(=C\\COP(=O)(O)OP(=O)(O)O)CC/C=C(\\C)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21.N.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVCCCJGHHYIFNO-HIOOECBFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSUJHSNNRGDOV-FZNADENSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)CC"]}
{"name": "Segment polarity protein dishevelled homolog DVL-1", "xref": ["CHEMBL.TARGET:CHEMBL6027"], "id": "UniProtKB:O14640", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Segment polarity protein dishevelled homolog DVL-3", "xref": ["CHEMBL.TARGET:CHEMBL6028"], "id": "UniProtKB:Q92997", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1087004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOOVRNGPIWJDI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221911", "category": ["biolink:ChemicalEntity"], "name": "LACTIMIDOMYCIN", "xref": ["InChIKey:OYOKHBHOTQDIPM-BRHOHSSQSA-N", "SMILES:C/C(=C\\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/C=C\\[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2303630", "category": ["biolink:ChemicalEntity"], "name": "SPARSOMYCIN", "xref": ["InChIKey:XKLZIVIOZDNKEQ-CKIHNWHUSA-N", "SMILES:CSC[S@@+]([O-])CC(CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O"], "synonym": ["Sparsomycin", "Sparsomycine", "Esparsomicina", "NSC-59729", "U-19183", "Sparsomycin"], "chembl_natural_product": true}
{"name": "Elongation factor 1-alpha 1", "xref": ["CHEMBL.TARGET:CHEMBL1795120"], "id": "UniProtKB:P68104", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVGBMKDFPWGLM-CVRCWEACSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1NC(=S)NCCNC(=S)N[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O"]}
{"name": "Early activation antigen CD69", "xref": ["CHEMBL.TARGET:CHEMBL3308911"], "id": "UniProtKB:Q07108", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUYXIWKURMNCL-WKXPCJKNSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1NC(=S)NCCCCNC(=S)N[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXLQYDNJASTFU-PERJHLAOSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1NC(=S)NCCCCCCNC(=S)N[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUSODRVDQMYIO-GEMOJMHPSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1NC(=S)NCCCCCCCCNC(=S)N[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDPTVOAXHIGFY-XHVHYUDBSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBBWUKOBNSQGHX-HZIXPPFESA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1NC(=S)NCC(O)C(O)CNC(=S)N[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIHFIVZTYVKDM-YXYYBNNASA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1NC(=S)NC/C=C/CNC(=S)N[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTVUJVIMUWPDF-JVDUMKKBSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1NC(=S)NC/C(O)=C(\\O)CNC(=S)N[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222121", "category": ["biolink:ChemicalEntity"], "name": "IONOMYCIN CALCIUM", "xref": ["InChIKey:WKRWUYKLUMMAKG-WYGBAUISSA-L", "SMILES:C[C@H](CCC(=O)[O-])C[C@H](C)C[C@H](C)C(=O)/C=C(\\[O-])[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O)O2)O1.[Ca+2]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKSBEBKWSIVCL-UHFFFAOYSA-N", "SMILES:CC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBSQBBOGPJGCFE-PJQLUOCWSA-N", "SMILES:O=C(O)/C=C/c1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(O)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVVFOLSZMQVDKV-KXQIQQEYSA-N", "SMILES:CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1223375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISCGHCZUGBQFCH-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)cn1)c1ccc2c(C(F)(F)F)cc(=O)n(CC(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1224312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVHMIYSTFZJAU-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)SCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1224660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSMHKMPBNTBOD-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(=O)c2[nH]cnc2[nH]1"], "chembl_natural_product": true}
{"name": "Guanine deaminase", "xref": ["CHEMBL.TARGET:CHEMBL3308947"], "id": "UniProtKB:Q9WTT6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388596", "category": ["biolink:ChemicalEntity"], "name": "2,6-DIAMINOPURINE", "xref": ["InChIKey:MSSXOMSJDRHRMC-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc[nH]c2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL321248", "category": ["biolink:ChemicalEntity"], "name": "7-METHYLXANTHINE", "xref": ["InChIKey:PFWLFWPASULGAN-UHFFFAOYSA-N", "SMILES:Cn1cnc2[nH]c(=O)[nH]c(=O)c21"], "synonym": ["7-methylxanthine", "Heteroxanthine", "Methyl xanthine", "NSC-7861"], "chembl_natural_product": true}
{"name": "Guanine deaminase", "xref": ["CHEMBL.TARGET:CHEMBL3129"], "id": "UniProtKB:Q9Y2T3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1224034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNGDOZEXVRNMZ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1224326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHWKVKVDHFWPT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCO)c1ccc(-c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1224249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKSTMLLNDTLOV-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)CCCCCO)ccc1-c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1224705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUCSBVIZHHTIL-RDPSFJRHSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COC(=O)c1ccccc1"]}
{"name": "CAAX prenyl protease 2", "xref": ["CHEMBL.TARGET:CHEMBL1250413"], "id": "UniProtKB:Q03530", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYZUOQLOVVOUPN-DHLKQENFSA-N", "SMILES:Cc1cccc(C)c1C(=O)OCC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTSDXPQCJWMPCF-OFVILXPXSA-N", "SMILES:Cc1ccc(C(=O)OCC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCOJPYLXMKAGH-OZXSUGGESA-N", "SMILES:Cc1cc(C)c(C(=O)OCC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAFAFAUHAPMFAH-MBSDFSHPSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWVNKLIXHRWKCH-CPJSRVTESA-N", "SMILES:COc1ccc(C(=O)OCC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMALUNILVVQTL-CYFREDJKSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WADWZBXCJYKFPB-UIOOFZCWSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHCLHJFPKBHMDV-SVBPBHIXSA-N", "SMILES:Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJHOPNSDBWXJGQ-SVBPBHIXSA-N", "SMILES:Cc1ccc(C(=O)OCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRQJICOGNMRAQH-NSOVKSMOSA-N", "SMILES:Cc1cc(C)c(C(=O)OCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POBZNINTAIXWMQ-DQEYMECFSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEJRXHXQAVVWDH-SVBPBHIXSA-N", "SMILES:COc1ccc(C(=O)OCC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFRDOHVANNREJ-UIOOFZCWSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOKIJOWYTBNPIM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBLDZZYPIOGNW-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221984", "category": ["biolink:ChemicalEntity"], "name": "PURMORPHAMINE", "xref": ["InChIKey:FYBHCRQFSFYWPY-UHFFFAOYSA-N", "SMILES:c1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSUUTYAEQOIMW-YHBQERECSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDHRPWOAMDJICD-FOAQWNCLSA-N", "SMILES:CC1=C2C[C@H]3[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN(CCNC(=O)CCCCCNC(=O)CCc3ccccc3)[C@H]1[C@H]2C"]}
{"name": "Annexin A2", "xref": ["CHEMBL.TARGET:CHEMBL3308972"], "id": "UniProtKB:P04272", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8211", "category": ["biolink:ChemicalEntity"], "name": "N-ETHYLMALEIMIDE", "xref": ["InChIKey:HDFGOPSGAURCEO-UHFFFAOYSA-N", "SMILES:CCN1C(=O)C=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1222038", "category": ["biolink:ChemicalEntity"], "name": "SECRAMINE A", "xref": ["InChIKey:WOAYDXMBHOUEQZ-GJEPMKPZSA-N", "SMILES:COc1ccc(CS[C@@H]2C/C(=N/OCc3ccccc3)C[C@H]3Oc4c(Br)c(OCC5CC5)cc5c4[C@]32C[C@@H](CO)NC5)cc1"]}
{"name": "Cdc42 protein", "synonym": ["Cell division control protein 42 homolog"], "xref": ["CHEMBL.TARGET:CHEMBL3308967"], "id": "UniProtKB:Q9DDV6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8355"]}
{"name": "Cell division control protein 42 homolog", "xref": ["CHEMBL.TARGET:CHEMBL3308943"], "id": "UniProtKB:Q8CFN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222039", "category": ["biolink:ChemicalEntity"], "name": "SECRAMINE B", "xref": ["InChIKey:IKGMLEFAZJXZJE-YTQGRRGHSA-N", "SMILES:CO/N=C1\\C[C@H]2Oc3c(Br)c(OCC4CC4)cc4c3[C@@]2(C[C@@H](CO)NC4)[C@H](SCc2ccc(OC)cc2)C1"]}
{"name": "Ribosomal protein S6 kinase alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL3309057"], "id": "UniProtKB:P18653", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNFJNUTXQRGXER-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376488", "category": ["biolink:ChemicalEntity"], "name": "BEDAQUILINE", "xref": ["InChIKey:QUIJNHUBAXPXFS-XLJNKUFUSA-N", "SMILES:COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12"], "synonym": ["Bedaquiline", "Bedaquiline", "Bedaquiline", "Bedaquilina", "Bedaquiline", "Bedaquiline", "R-207910", "R207910", "TMC-207", "TMC207", "Bedaquiline"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "ATP synthase subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL3308987"], "id": "UniProtKB:P09219", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:2334"]}
{"name": "ATP synthase subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL3308988"], "id": "UniProtKB:P07677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:2334"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPYUPWTOCBEEU-NXVHGZMRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C"]}
{"name": "G-protein coupled receptor Mth", "xref": ["CHEMBL.TARGET:CHEMBL3309000"], "id": "UniProtKB:O97148", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWTLBOZBWQYMRX-RUIXISOVSA-N", "SMILES:N[C@@H](C[C@@H](CCCC(=O)NCC(=O)Nc1ccc(/N=N/c2ccc(NC(=O)CN3C(=O)C=CC3=O)cc2)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVOHIXGSHTPCI-YPMHNXCESA-N", "SMILES:N[C@@H](C[C@@H](CCCC(=O)NCC(=O)Nc1ccccc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSVKVWHYFBIFJ-HKZYLEAXSA-N", "SMILES:CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2374459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBCATALZVJLIR-ODYHOJJISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKSGIJNRMWHQIQ-CGPJBNNXSA-N", "SMILES:CO[C@]1(C)C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\\[C@H](C)OC(C)=O)C[C@@H]2C)O1"]}
{"name": "Splicing factor 3B subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL1250378"], "id": "UniProtKB:Q15393", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKVJJDQXZARCA-QHYZBLTGSA-N", "SMILES:CC(=O)O[C@@H](C)/C=C\\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@](C)(O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1221944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDXPBWKOFNPDR-YTQOOTMVSA-N", "SMILES:CC(=O)O[C@@H](C)/C=C\\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@](C)(OCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1098427", "category": ["biolink:ChemicalEntity"], "name": "HIPPURISTANOL", "xref": ["InChIKey:HPHXKNOXVBFETI-SHCCRYCOSA-N", "SMILES:C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C"], "chembl_natural_product": true}
{"name": "Eukaryotic initiation factor 4A-I", "xref": ["CHEMBL.TARGET:CHEMBL2052029"], "id": "UniProtKB:P29562", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Eukaryotic initiation factor 4A", "xref": ["CHEMBL.TARGET:CHEMBL3308965"], "id": "UniProtKB:P41378", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4565"]}
{"name": "Eukaryotic initiation factor 4A-I", "xref": ["CHEMBL.TARGET:CHEMBL2052028"], "id": "UniProtKB:P60842", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 4B", "xref": ["CHEMBL.TARGET:CHEMBL3308928"], "id": "UniProtKB:P23588", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic initiation factor 4A-I", "xref": ["CHEMBL.TARGET:CHEMBL3309046"], "id": "UniProtKB:P60843", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Vascular endothelial growth factor receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL2331049"], "id": "UniProtKB:Q5GIT4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13485", "category": ["biolink:ChemicalEntity"], "name": "SU-11652", "xref": ["InChIKey:XPLJEFSRINKZLC-ATVHPVEESA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(Cl)cc32)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL153843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLAFVGLBBOPRLP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQMRBZOBKYXCG-MHZLTWQESA-N", "SMILES:CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1"], "chembl_natural_product": true}
{"name": "Cofilin-1", "xref": ["CHEMBL.TARGET:CHEMBL1075129"], "id": "UniProtKB:P23528", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYKJLXRRQTBOR-BZSNNMDCSA-N", "SMILES:CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL403183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOEWDSDBFRHVAP-KRXBUXKQSA-N", "SMILES:Cc1ccc(S(=O)(=O)/C=C/C#N)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1082552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLOGFLGOBYLPE-MDWFKHSNSA-N", "SMILES:O=C1Nc2ncccc2/C1=C1/Nc2ccccc2/C1=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL294018", "category": ["biolink:ChemicalEntity"], "name": "PATULIN", "xref": ["InChIKey:ZRWPUFFVAOMMNM-UHFFFAOYSA-N", "SMILES:O=C1C=C2C(=CCOC2O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL429023", "category": ["biolink:ChemicalEntity"], "name": "ROTENONE", "xref": ["InChIKey:JUVIOZPCNVVQFO-HBGVWJBISA-N", "SMILES:C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL809", "category": ["biolink:ChemicalEntity"], "name": "SERTRALINE", "xref": ["InChIKey:VGKDLMBJGBXTGI-SJCJKPOMSA-N", "SMILES:CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21"], "synonym": ["Sertraline", "Sertraline", "Sertraline", "Sertralina", "Sertraline", "Sertraline"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1222153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVWLPPJRMIRBG-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJERYHSCLRZINL-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWHIERXLPXQPH-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1ccc(-c2ccc(C3(C(F)(F)F)N=N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKOMDGDQNVWIO-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC3)c(Cc3ccccc3C(F)(F)F)sc21"]}
{"name": "Monocarboxylate transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL2073709"], "id": "UniProtKB:P53987", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URQVSIAMYVDWTE-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDAVMXLEMHVXOG-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZYZYMKFRJDEE-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)c(Cc3cccc4ccccc34)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221552", "category": ["biolink:ChemicalEntity"], "name": "PERSYNTHAMIDE", "xref": ["InChIKey:LFZPAEQMXXULLE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncccc1O)C12CC3CC(CC(C3)C1)C2"], "chembl_natural_product": true}
{"name": "B-myb", "xref": ["CHEMBL.TARGET:CHEMBL3308996"], "id": "UniProtKB:Q6DRH7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLCDNLNLQNYZTK-UHFFFAOYSA-N", "SMILES:O=C(NC(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222102", "category": ["biolink:ChemicalEntity"], "name": "KU-55933", "xref": ["InChIKey:XRKYMMUGXMWDAO-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJRVGZWNDOOFH-OAHLLOKOSA-N", "SMILES:CCCCCCc1cccc(NC(=O)[C@H](N)CCP(=O)(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15245", "category": ["biolink:ChemicalEntity"], "name": "YOHIMBINE", "xref": ["InChIKey:BLGXFZZNTVWLAY-SCYLSFHTSA-N", "SMILES:COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"], "synonym": ["Yohimbine", "Yohimbine", "Yohimbine", "Yohimbinum"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL10347", "category": ["biolink:ChemicalEntity"], "name": "RAUWOLSCINE", "xref": ["InChIKey:BLGXFZZNTVWLAY-DIRVCLHFSA-N", "SMILES:COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL10332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQGWKNGAKBPTBX-UHFFFAOYSA-N", "SMILES:COC1(C2=NCCN2)COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRDUBBHIPPPSLP-OXJNMPFZSA-N", "SMILES:CN1CC[C@]2(CCN3CCc4c(oc5ccccc45)[C@@H]3C2)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597", "category": ["biolink:ChemicalEntity"], "name": "PHENTOLAMINE", "xref": ["InChIKey:MRBDMNSDAVCSSF-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1"], "synonym": ["Phentolamine", "Phentolamine", "Phentolamine", "Fentolamina", "Phentolamine", "Phentolamin", "Phentolamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL844", "category": ["biolink:ChemicalEntity"], "name": "BRIMONIDINE", "xref": ["InChIKey:XYLJNLCSTIOKRM-UHFFFAOYSA-N", "SMILES:Brc1c(NC2=NCCN2)ccc2nccnc12"], "synonym": ["Brimonidine", "Brimonidine", "Brimonidine", "Brimonidina", "Brimonidine", "Brimonidine", "AGN-190342 FREE BASE", "NSC-318825", "UK-14304", "UK-1430418 FREE BASE"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL59", "category": ["biolink:ChemicalEntity"], "name": "DOPAMINE", "xref": ["InChIKey:VYFYYTLLBUKUHU-UHFFFAOYSA-N", "SMILES:NCCc1ccc(O)c(O)c1"], "synonym": ["Dopamine", "Dopamine", "Dopamine", "Dopamina", "Dopamine", "A-dopamine", "Dobutamine a", "Dopamine", "Medopa", "Oxytyramine", "NSC-173182"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1221754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQDUIIFIJXELA-PQYYHYFNSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12)C(=O)N[C@@H](Cc1ccc(O)c([125I])c1)C(=O)NCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)COC(=O)c1c(C)cccc1C"]}
{"name": "Arg-gingipain-1 proteinase", "synonym": ["Gingipain R1"], "xref": ["CHEMBL.TARGET:CHEMBL3308933"], "id": "UniProtKB:Q51816", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:837"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXJGYUMPBVDIO-UTNCYOIPSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12)C(=O)N[C@@H](Cc1ccc(O)c([125I])c1)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)COC(=O)c1c(C)cccc1C"]}
{"name": "Lys-gingipain", "xref": ["CHEMBL.TARGET:CHEMBL3308977"], "id": "UniProtKB:B2RLK2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:431947"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYHZDNGMFKVQY-UTNCYOIPSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12)C(=O)N[C@@H](Cc1ccc(O)c([125I])c1)C(=O)NCCCCCC(=O)N[C@@H](CC(C)C)C(=O)COC(=O)c1c(C)cccc1C"]}
{"name": "Procathepsin L", "xref": ["CHEMBL.TARGET:CHEMBL2305"], "id": "UniProtKB:P07154", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QONWISYMVJHDBX-NQYDKDHYSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12)C(=O)N[C@@H](Cc1ccc(O)c([125I])c1)C(=O)NCCCCCC(=O)NCC(=O)COC(=O)c1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2368877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZHVVXDUYUESJI-STECZYCISA-N", "SMILES:CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCc1ccc(O)cc1)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAJRKEXSQCTAGG-BLJVSLMFSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12)C(=O)N[C@@H](Cc1ccc(O)c([125I])c1)C(=O)NCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(C)cccc1C"]}
{"name": "Legumain", "xref": ["CHEMBL.TARGET:CHEMBL4244"], "id": "UniProtKB:Q99538", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQTKLSUYRQGDTO-MMMCYICWSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12)C(=O)N[C@@H](Cc1ccc(O)c([125I])c1)C(=O)NCCCCCC(=O)N[C@@H](C(N)=O)C(=O)COC(=O)c1c(C)cccc1C"]}
{"name": "Legumain", "xref": ["CHEMBL.TARGET:CHEMBL1949492"], "id": "UniProtKB:O89017", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWSKLAMXPPZZRV-VOOFZMFTSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12)C(=O)N[C@@H](Cc1ccc(O)c([125I])c1)C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(C)cccc1C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQLQMKJGYKHCT-QSRTVSNNSA-N", "SMILES:COC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)C)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223641", "category": ["biolink:ChemicalEntity"], "name": "GLISOFLAVONE", "xref": ["InChIKey:PYVPKOSKOWDDSV-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc2occ(-c3cc(O)c(O)c(CC=C(C)C)c3)c(=O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL206710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYNZEYHSMRWBK-HXSHIISNSA-N", "SMILES:O=C(OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1240830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQMVFISLGPSWGO-UHFFFAOYSA-N", "SMILES:Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPOLXUSCUFDGE-UHFFFAOYSA-N", "SMILES:C=CCNc1ncnc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1240890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNEQASFEVWLKOJ-LUAWRHEFSA-N", "SMILES:C/C(=C/C(=O)c1ccc(Cl)cc1)Nc1cccc(O)c1"]}
{"name": "Huntingtin", "xref": ["CHEMBL.TARGET:CHEMBL1250362"], "id": "UniProtKB:P42859", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200102", "category": ["biolink:ChemicalEntity"], "name": "PU-H71", "xref": ["InChIKey:SUPVGFZUWFMATN-UHFFFAOYSA-N", "SMILES:CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21"], "synonym": ["Zelavespib", "Pu-h71", "PU-H 71", "PU-H-71", "PU-H71", "PUH-71"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL326523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJFGZAAFADPSF-UHFFFAOYSA-N", "SMILES:C#CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL365159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNEZLWWMNFSDNW-UHFFFAOYSA-N", "SMILES:C#CCCCn1c(Sc2cc3c(cc2Br)OCO3)nc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPPCGDGMQGJGQK-UHFFFAOYSA-N", "SMILES:CC(C)NCCCn1c(Cc2cc3c(cc2I)OCO3)nc2c(N)nc(F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414883", "category": ["biolink:ChemicalEntity"], "name": "RADICICOL", "xref": ["InChIKey:WYZWZEOGROVVHK-GTMNPGAYSA-N", "SMILES:C[C@@H]1C[C@H]2O[C@@H]2/C=C\\C=C\\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL468439", "category": ["biolink:ChemicalEntity"], "name": "CYCLOPROPARADICICOL", "xref": ["InChIKey:YXWAGDSTADMCGH-NEHQNTPFSA-N", "SMILES:C[C@@H]1C[C@H]2C[C@@H]2/C=C\\C=C\\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226968", "category": ["biolink:ChemicalEntity"], "name": "TEBUFENOZIDE", "xref": ["InChIKey:QYPNKSZPJQQLRK-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1"], "chembl_natural_product": true}
{"name": "Ecdysone receptor", "xref": ["CHEMBL.TARGET:CHEMBL3868"], "id": "UniProtKB:P49881", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7091"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPNWTQWSMOJRB-UHFFFAOYSA-N", "SMILES:Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3c(c2)OCO3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1240973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKOBDKSOBOGPS-YOVBBAPFSA-N", "SMILES:CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCOCCOCCNC(=O)CCCCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1240974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFRRNIZSHOFSHA-UHLJOFGKSA-N", "SMILES:CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCCC[C@H](NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)C(=O)N(C)CCN(C)C(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242564", "category": ["biolink:ChemicalEntity"], "name": "PLA D", "xref": ["InChIKey:XNQFVAOONHSTGY-ZRQGREGYSA-N", "SMILES:CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(\\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242745", "category": ["biolink:ChemicalEntity"], "name": "PLADIENOLIDE B", "xref": ["InChIKey:DPHYBDPQSYADQH-YUPCCALRSA-N", "SMILES:CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1240972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZANEHLUXUQLN-ITWDEHAESA-N", "SMILES:CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(\\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C3CCCCCC3)CC2)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVKZXOPDHDJFTL-ICNDPDAVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(N)=O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDECUSDQMXVUMP-UHFFFAOYSA-N", "SMILES:CCCCCCN(C(=O)CCCCCN1C(=O)NC(c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1240927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGGUFLRKIMBDQ-YHYXMXQVSA-N", "SMILES:O=CN1CC/C(=C/c2ccc3c(c2)OCO3)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1240928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZUYDLKHNQUNKS-UHFFFAOYSA-N", "SMILES:Cc1occ2c1C(=O)c1c(O)ccc(O)c1C2"], "chembl_natural_product": true}
{"name": "ELAV-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1250379"], "id": "UniProtKB:Q15717", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242196", "category": ["biolink:ChemicalEntity"], "name": "DEHYDROMUTACTIN", "xref": ["InChIKey:MQXUOBANQWOATN-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c(O)cccc2c1-c1cc(=O)cc(O)o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1242284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZBSTJJIOXFNLS-GMTUZNRTSA-N", "SMILES:CCNC(=O)O[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@H]2O[C@@H]2[C@H](C)[C@@H](O)CC)OC(=O)C[C@H](O)CC[C@@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1081312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVRXTLZYXZNATH-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1233882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZALMMCQYDFML-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2ccc3ncccc3c2)c2c(N)ncnc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1241035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPIMAQWSEDWWSR-IMZVZIMHSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)C(C)C)C(C)C"]}
{"name": "Protein LZIC", "xref": ["CHEMBL.TARGET:CHEMBL4296296"], "id": "UniProtKB:Q8WZA0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGWSSHEIIFLNB-YARQWZEPSA-N", "SMILES:C[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1"]}
{"name": "Protease, putative", "synonym": ["Dipeptidyl peptidase 1"], "xref": ["CHEMBL.TARGET:CHEMBL1250370"], "id": "UniProtKB:Q8I1Y2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJZTHKUTGOBFU-LIIHMFIASA-N", "SMILES:CCC[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHWKYKCRSVNTCO-IFEIPUBUSA-N", "SMILES:N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1"]}
{"name": "Probable cathepsin C", "synonym": ["Dipeptidyl aminopeptidase 1"], "xref": ["CHEMBL.TARGET:CHEMBL1250372"], "id": "UniProtKB:Q8IIJ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTATSBYSPZUSB-BNWRYQNMSA-N", "SMILES:O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)C1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSHWCGNIXJHXMY-YLJLSDLWSA-N", "SMILES:NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCCCCCS(=O)(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)c([N+](=O)[O-])c1"]}
{"name": "Preprocathepsin c, putative", "synonym": ["Dipeptidyl peptidase 1"], "xref": ["CHEMBL.TARGET:CHEMBL1250369"], "id": "UniProtKB:Q8I0V1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"name": "Falcipain-3", "xref": ["CHEMBL.TARGET:CHEMBL1250373"], "id": "UniProtKB:Q8IIL0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"name": "Cysteine proteinase falcipain-1", "synonym": ["Cysteine proteinase falcipain 1"], "xref": ["CHEMBL.TARGET:CHEMBL1250371"], "id": "UniProtKB:Q8I6V0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVVPWOUPIRZCAH-PCJZJSDKSA-N", "SMILES:O=C(CCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCCCCC(=O)Nc1ccc2c(Cl)c(OCCc3ccccc3)oc(=O)c2c1"]}
{"name": "RAC-alpha serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL1250377"], "id": "UniProtKB:Q01314", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJAVHOMVDCMAMF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1OC)N=C(NC(=O)c1cccnc1)N1CCN=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSUEVPGSXUJHT-OLZOCXBDSA-N", "SMILES:CCCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O"], "chembl_natural_product": true}
{"name": "5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase", "xref": ["CHEMBL.TARGET:CHEMBL1250374"], "id": "UniProtKB:Q9KPI8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:243277"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKULNJFRTYROJ-MNOVXSKESA-N", "SMILES:CCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHMDFGHOCNNOE-ZJUUUORDSA-N", "SMILES:CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2304341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMOZAWRBYUSRIQ-KRHMNGOQSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(cc(c3)CSC[C@@H](C(=O)NCC(N)=O)NC1=O)CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJDKPLZUXCIMIS-HMMYKYKNSA-N", "SMILES:O=C1/C(=C/c2ccccc2)C(NC2CCCCC2)c2ccccc21"]}
{"name": "Dual specificity protein phosphatase 6", "xref": ["CHEMBL.TARGET:CHEMBL1250381"], "id": "UniProtKB:Q16828", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDMHFVRKBVGBY-FQEVSTJZSA-N", "SMILES:CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQQXCFFGHOVQV-JEPNHJGPSA-N", "SMILES:CC(=O)Oc1ccccc1C(=O)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQXNBDUQMASBI-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccccc1C(=O)Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1243326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZICJKNDYKNBTO-UHFFFAOYSA-N", "SMILES:CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccc(F)cc4)c4ccccc34)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNVXXWCJAJTSN-KDBSYOKJSA-N", "SMILES:CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEVYNIUIFUYDGI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDIBDKRYTBBYJX-UHFFFAOYSA-N", "SMILES:NCCOCCOCCOCCOCCOCCNC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHHOZJHJGPRLSL-UHFFFAOYSA-N", "SMILES:CN(c1ccc(OC(F)(F)F)cc1)c1cc(-c2cccc(C(=O)NCCOCCOCCOCCOCCOCCN)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCBIYOLLIHRSSY-CRBPQGDMSA-N", "SMILES:NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)NCCCCCC(=O)NCCCC[C@@H]1CNC(=O)C[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)NC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)NC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVJAXYWWXHCHA-OLSNINGUSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(=O)O)[C@@H]([C@@]3(C)CC[C@H](O)CC3=O)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZUZYEMRHCMVTB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55934", "category": ["biolink:ChemicalEntity"], "name": "NAPHTHOQUINONE", "xref": ["InChIKey:FRASJONUBLZVQX-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2ccccc21"], "chembl_natural_product": true}
{"name": "Cell death protein 3", "xref": ["CHEMBL.TARGET:CHEMBL1250361"], "id": "UniProtKB:P42573", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6239"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190982", "category": ["biolink:ChemicalEntity"], "name": "1,4-DICHLOROBENZENE", "xref": ["InChIKey:OCJBOOLMMGQPQU-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL198759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTZHXYLLRJLST-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL73188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIQCSMRQKCOCT-YFKPBYRVSA-N", "SMILES:CC(=O)N[C@@H](C(=O)O)C(C)(C)SN=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL125865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZAGXDHQGXUDDX-JSRXJHBZSA-N", "SMILES:CC/C(=C\\C(=N\\O)C(N)=O)C(C)[N+](=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL538104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCGICGYLBXGBGN-UHFFFAOYSA-N", "SMILES:Cl.[NH-]c1c[n+](N2CCOCC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL120580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROUFCTKIILEETD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBAPGWWRFVTFS-UHFFFAOYSA-N", "SMILES:c1cc(SSc2ccncc2)ccn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL395814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIUMMUBSPKGMOY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL271256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMVGEUBCWCKGMY-UHFFFAOYSA-N", "SMILES:Br.CS(=O)(=O)SCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPNCFFRYCBLDRI-QWQKKCNOSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCNC(=O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)NCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOMFMXWICUAUGW-AYEMWTTHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CN1C(=O)c2ccc(N(C)C)cc2C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJGYKMDCCYHPJ-VRKXYQOASA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIKFNDGSWAGEOZ-WHRWCGRJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CN1C(=O)c2ccc(N(C)C)cc2C1=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYXLHXKTNFICLL-QFIPXVFZSA-N", "SMILES:CCCc1cc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc2c(C)n[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZCGTRERFKDMG-KUXOGVNGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)NC(=O)[C@H](CSC/C=C(\\C)COCc1cccc(C(=O)c2ccccc2)c1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)NC(=O)[C@H](CCCCNC(C)=C1C(=O)CC(C)(C)CC1=O)NC(=O)CCC(=O)NCOCCOCCOCCOC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBCJPKVEKWAARH-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)c1ccccc1O"], "chembl_natural_product": true}
{"name": "Quinone oxidoreductase", "xref": ["CHEMBL.TARGET:CHEMBL6118"], "id": "UniProtKB:Q08257", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32147", "category": ["biolink:ChemicalEntity"], "name": "2'-HYDROXYCHALCONE", "xref": ["InChIKey:AETKQQBRKSELEL-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL397027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKZYMHSZANCMPI-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1ccccn1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHNMLOQDLDJFE-WUDFMCOFSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCC(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRIGUMSLGSWEZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(Cc2cccc(I)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBHNKZIOOMVCG-UHFFFAOYSA-N", "SMILES:CCc1ccc(OC(C)=O)c(Cc2cc(CC)ccc2OC(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPYOCVBCIARHG-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccccc1Cc1cc(CCCl)ccc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGJCNNCDZACAKO-UHFFFAOYSA-N", "SMILES:CCc1ccc(Cc2cc(CCCl)ccc2OC(C)=O)c(OC(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDIBPIZNHTWMOO-UHFFFAOYSA-N", "SMILES:CCc1ccc(OC(C)=O)c(Cc2cc(CCCl)ccc2OC(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIILEAJIDODOE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCC(Cc1ccccc1CCc1ccccc1)C2=O"]}
{"name": "1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4521"], "id": "UniProtKB:Q07973", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQFQVGSSMJOEF-DURHGINSSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OCc3cn(CCCCNC(=O)CCNC(=O)CO[C@H]4CC[C@@]5(C)C(=CC[C@H]6[C@@H]7CC[C@H]([C@H](C)CCCC(C)C)[C@@]7(C)CC[C@@H]65)C4)nn3)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELYEBPIFRUTCY-UXAUKTMTSA-N", "SMILES:COc1cc(/C=C/C(=O)/C(Cc2cn(CCCCNC(=O)CCNC(=O)CCNC(=O)CO[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)nn2)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDPWYQAELXRWKV-SAPZIPKDSA-N", "SMILES:COc1cc(/C=C/C(=O)/C(Cc2cn(CCCCCCNC(=O)CCNC(=O)CO[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)nn2)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFPJQKDZLOROR-CVVSNVHXSA-N", "SMILES:COc1cc(/C=C/C(=O)/C(Cc2cn(CCCCNC(=O)CCNC(=O)CO[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)nn2)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZQSKMSBNTROO-WQLGEIRHSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OCc3cn(CCCCNC(=O)CCNC(=O)CCNC(=O)CO[C@H]4CC[C@@]5(C)C(=CC[C@H]6[C@@H]7CC[C@H]([C@H](C)CCCC(C)C)[C@@]7(C)CC[C@@H]65)C4)nn3)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VODRHDSPCSLPLB-AGTCXTRZSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OCc3cn(CCCCCCNC(=O)CCNC(=O)CO[C@H]4CC[C@@]5(C)C(=CC[C@H]6[C@@H]7CC[C@H]([C@H](C)CCCC(C)C)[C@@]7(C)CC[C@@H]65)C4)nn3)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPKAWACIDJFJR-MGARCKLBSA-N", "SMILES:COc1cc(/C=C/C(=O)/C(Cc2cn(CCCCCCNC(=O)CCNC(=O)CCNC(=O)CO[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)nn2)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMYUZJRKLEKDA-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTJIOSNVDVGCQ-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(OC(=O)c3cccc(Cl)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKJAZFUFPPSFCO-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1C1=C(NCCc2ccc(F)cc2)C(=O)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVBRWZQHJAIAX-JBOQNHBVSA-N", "SMILES:CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSVNNLRZCJAYTQ-DQLDELGASA-N", "SMILES:C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTXJJGAXXJCBY-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255087", "category": ["biolink:ChemicalEntity"], "name": "RHODOPSIN", "xref": ["InChIKey:NCYCYZXNIZJOKI-IOUUIBBYSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C\\C(C)=C\\C=O)C(C)(C)CCC1"], "chembl_natural_product": true}
{"name": "Rhodopsin", "xref": ["CHEMBL.TARGET:CHEMBL4296308"], "id": "UniProtKB:P08100", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257381", "category": ["biolink:ChemicalEntity"], "name": "ISO RHODOPSIN", "xref": ["InChIKey:NCYCYZXNIZJOKI-MKOSUFFBSA-N", "SMILES:CC1=C(/C=C/C(C)=C\\C=C\\C(C)=C\\C=O)C(C)(C)CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1254090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMMSNBXIQJWOCH-KQTARZCWSA-N", "SMILES:C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2/C(=N/c3ccccc3)[Se]/C(=C/I)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXBBSCHUUJUBV-CQAUDAGCSA-N", "SMILES:C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2/C(=N/c3ccc4ccccc4c3)[Se]/C(=C/I)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONILRJBDHIKGPC-VQQFHTKMSA-N", "SMILES:C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2/C(=N/Cc3ccccc3)[Se]/C(=C/I)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOBNVXALKLIYTN-KQTARZCWSA-N", "SMILES:C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2/C(=N/C3CCCCC3)[Se]/C(=C/I)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL608862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSBIZQTRDDDQD-MDZDMXLPSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253830", "category": ["biolink:ChemicalEntity"], "name": "ISOBONDUCELLIN", "xref": ["InChIKey:DLQSYZMPSWHYMW-WQLSENKSSA-N", "SMILES:COc1ccc(/C=C2/COc3cc(O)ccc3C2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL17442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOJJYHZSZSSQJL-BQYQJAHWSA-N", "SMILES:COc1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCTVYGILKGHJLX-SOFGYWHQSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUYMCWIWGASRX-CMDGGOBGSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2cccc(OC)c2OC)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL257158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRHXTSWSUAJOJZ-FMDGEEDCSA-N", "SMILES:CC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1254432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHTUMLBGDFVYMU-YGUJZHIJSA-N", "SMILES:CC(=O)N[C@@H]1/C(=N/OC(=O)Nc2ccccc2)CO[C@H](CO)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKXBBIBSXXTEOZ-FMDGEEDCSA-N", "SMILES:CC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2[Se]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPIYMPLUFATVCP-LSLNSLTHSA-N", "SMILES:C=CC[C@@](C)(N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPIYMPLUFATVCP-DBUGVKGCSA-N", "SMILES:C=CC[C@](C)(N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHMCYNKPIILNF-PQIDGMQASA-N", "SMILES:C=CC(C)[C@@](C)(N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYIIFFQINTDON-ICFVWKSASA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)CC=CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYIIFFQINTDON-JAMZIUPYSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)CC=CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZRMOZGBQLUTFS-JKPNHNRMSA-J", "SMILES:CC(C)=CCC/C(C)=C/CC(Cc1cccc(CC=C(C)C)c1)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"name": "Geranylgeranyl pyrophosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL4769"], "id": "UniProtKB:O95749", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOVLHRFPDPUKA-WTJIMVHXSA-J", "SMILES:CC(C)=CCC/C(C)=C/CC(Cc1ccc(CC=C(C)C)cc1)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAYRYWOHRLSQIM-PJVHDHFPSA-J", "SMILES:CC(C)=CCC/C(C)=C/CC(Cc1ccccc1)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHINKDYBRVCNSQ-PGGSIGJZSA-J", "SMILES:CC(C)=CCC/C(C)=C/CC(Cc1cccnc1)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL474704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFUCABJWQGTGU-UHFFFAOYSA-N", "SMILES:CC1CCC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGSZVEPQZANNAB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)(O)c2nc3ccccc3s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGSZVEPQZANNAB-QGZVFWFLSA-N", "SMILES:Cc1ccc([C@@](C)(O)c2nc3ccccc3s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGSZVEPQZANNAB-KRWDZBQOSA-N", "SMILES:Cc1ccc([C@](C)(O)c2nc3ccccc3s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJXKGUBHEQGADG-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPDGZIIMGCQEHR-JXMROGBWSA-N", "SMILES:COc1ccc2c(/C=C/C(=O)c3ccccc3)cc(=O)oc2c1"]}
{"name": "M-phase inducer phosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL3775"], "id": "UniProtKB:P30304", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQIIZGSRSUFTC-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(Cc2ccc(Oc3cccc(F)n3)cc2)c2ccc(OC(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLVOLAVWLAATI-YIZRAAEISA-N", "SMILES:C=CCOC(=O)NC1=CC(=O)[C@H]2O[C@H]2[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFHNIREHLCBIC-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(N2CCCc3oc(-c4ccccn4)nc3C2)c1"]}
{"name": "Metabotropic glutamate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3772"], "id": "UniProtKB:Q13255", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDOWBCOOBTCSY-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(N2CCc3oc(-c4ccccn4)nc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUVDNPHAHOZLFG-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2ccc(NC)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL114112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCKKCDRMGKXQDK-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2cc(I)c(N)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWADEWWLCVVLF-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJARXLKFWJOGGB-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2cc(C)c(N)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCHFVJHZAFFDP-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2cc(I)c(NC)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRZHLRFZQBKXLX-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2cc(Br)c(NC)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWHXUNLVBKQFB-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2cc(C#N)c(NC)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLHFUBIRAHRPHA-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSRVCVMUIEULO-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2ccc(N)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZIAERGLDKTBT-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUCVOMUTBMTTOB-IFJAOXJTSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)NCC(=O)N1)[C@@H](C)O)C(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZIIFOFEPLDDNI-GDBVFDKBSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZCSBRINWLQGAH-CQXCLMSPSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORWIYCURPDKSBI-XMMPIXPASA-N", "SMILES:O=C(Nc1n[nH]c2cc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)sc12)c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASOQJAFHYQJGCZ-JFVRFSQPSA-N", "SMILES:COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL233930", "category": ["biolink:ChemicalEntity"], "name": "ASTRAGALIN", "xref": ["InChIKey:JPUKWEQWGBDDQB-QSOFNFLRSA-N", "SMILES:O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL250450", "category": ["biolink:ChemicalEntity"], "name": "ISOQUERCETIN", "xref": ["InChIKey:OVSQVDMCBVZWGM-QSOFNFLRSA-N", "SMILES:O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"], "synonym": ["Isoquercitrin", "3-glucosylquercetin", "Contigoside b", "Glucosyl-3-quercetin", "Hirsutrin", "Isoquercetin", "Isoquercetin, (-)-", "Isoquercitroside", "Isotrifoliin", "Isotrifolin", "Quercetin 3-d-glucoside", "Quercetin 3-o-glucopyranoside", "Quercetin 3-o-glucoside", "Quercetin 3.beta.-glucoside", "Quercetin glucoside", "Quercetin-3-glucose", "Quercetin-3-o-glucoside", "Quercetol 3-monoglucoside", "Ronacare isoquercetin", "FEMA NO. 4225", "NSC-115918", "NSC-407304"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1255591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJTYCCFDQWFJHU-HMGRVEAOSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL226335", "category": ["biolink:ChemicalEntity"], "name": "RUTIN", "xref": ["InChIKey:IKGXIBQEEMLURG-NVPNHPEKSA-N", "SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "synonym": ["Rutoside", "Rutoside", "Rutosido", "Birutan", "Globulariacitrin", "Ilixanthin", "Myrticolorin", "Novarrutina", "Osyritrin", "Paliuroside", "Quercetin 3-rutinoside", "Quercetin-3-o-rutinoside", "Rutin", "Rutoside", "Sophorin", "Tanrutin", "Violaquercetrin", "Yunxianggan", "C.I. 75730", "NSC-9220", "Rutin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL258394", "category": ["biolink:ChemicalEntity"], "name": "NARCISSIN", "xref": ["InChIKey:UIDGLYUNOUKLBM-GEBJFKNCSA-N", "SMILES:COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1255584", "category": ["biolink:ChemicalEntity"], "name": "CAMELLIANOSIDE", "xref": ["InChIKey:GUDFTJNDUNRMLG-XJHHULBCSA-N", "SMILES:COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1257317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBRHSFMRAGHMJ-BGPOSVGRSA-N", "SMILES:COc1cc(/C=C2\\CNC/C(=C\\c3ccc(O)c(OC)c3)C2=O)ccc1O"]}
{"name": "Heme oxygenase 1", "xref": ["CHEMBL.TARGET:CHEMBL1255146"], "id": "UniProtKB:Q5E9F2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKNZEFDNAXKNI-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2c(C(=O)O)cccc2C(=O)O)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214185", "category": ["biolink:ChemicalEntity"], "name": "ROXITHROMYCIN", "xref": ["InChIKey:RXZBMPWDPOLZGW-XMRMVWPWSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"], "synonym": ["Roxithromycin", "Roxithromycin", "Roxithromycin", "Roxithromycine", "Roxitromicina", "Roxithromycin", "Roxithromycin", "Roxithromycin", "NSC-758443", "RU 28965", "RU 965", "RU-28965", "RU-965", "Rulid", "Roxithromycin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL500455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBHYQLUBBAFST-GUBPWTFESA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"name": "Heat shock protein SSA2", "xref": ["CHEMBL.TARGET:CHEMBL1255136"], "id": "UniProtKB:P46587", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255950", "category": ["biolink:ChemicalEntity"], "name": "BOCILLIN FL", "xref": ["InChIKey:YDFIBVMTWUHKCC-XBWPFFOSSA-M", "SMILES:Cc1cc(C)n2c1C=C1C=CC(CCC(=O)Nc3ccc(OCC(=O)N[C@@H]4C(=O)N5[C@@H]4SC(C)(C)[C@@H]5C(=O)[O-])cc3)=[N+]1[B-]2(F)F.[Na+]"]}
{"name": "Penicillin-binding protein 1A", "xref": ["CHEMBL.TARGET:CHEMBL1255141"], "id": "UniProtKB:Q04707", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:170187"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKIAXMTFIKWLN-RVBNWZHFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOSDLNTALGPBR-XFTSROOISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL52606", "category": ["biolink:ChemicalEntity"], "name": "COLFORSIN", "xref": ["InChIKey:OHCQJHSOBUTRHG-KGGHGJDLSA-N", "SMILES:C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1"], "synonym": ["Colforsin", "Colforsine", "Colforsina", "Boforsin", "Forskolin", "HL 362", "HL-362", "L 75 1362B", "L-75-1362B", "L-751362B", "NSC-357088", "NSC-375489", "Colforsin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1257047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNFVCAHHFNREI-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(OC4CCCCC4)c4ccccc4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSXEXBYLJIOGF-ALFLXDJESA-N", "SMILES:O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMZPGQXTSPWJQX-WXLVEAMESA-N", "SMILES:Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccc(CNC(=O)CCOCCOCCOCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)cc3)SCC4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSXEXBYLJIOGF-BTYSMDAFSA-N", "SMILES:O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@@H]3C2)cc1"]}
{"name": "Axin-2", "xref": ["CHEMBL.TARGET:CHEMBL1255128"], "id": "UniProtKB:O88566", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEKROOJLYWQYEV-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJKQCRYLVDYGDN-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Cn1c(=O)n(CC2CCC(C(=O)NCc3ccccc3)CC2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXCGADJIIHPMV-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc(Cn3c(=O)n(CC4CCC(C(=O)NCc5ccccc5)CC4)c(=O)c4ccccc43)cc(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPUCTSDPCUHQQ-NEAWWFDSSA-N", "SMILES:Cc1ccnc2c(NC(=O)c3ccc(N4C(=O)[C@@H]5[C@H](C4=O)[C@@H]4C=C[C@H]5C4)cc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRKPZSMRWPJJDH-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1"]}
{"name": "Protein-serine O-palmitoleoyltransferase porcupine", "xref": ["CHEMBL.TARGET:CHEMBL1255164"], "id": "UniProtKB:Q9JJJ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWIHRXVYJONEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)NCC(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJOIYLRRDDQFQT-UHFFFAOYSA-N", "SMILES:CC1Cc2nc(SCC(=O)Nc3nc4ccccc4s3)n(Cc3ccccc3)c(=O)c2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUSMYOJWTVVPF-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3Cc3ccccc3)SCC4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFGBFIEKQQDEO-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1nccs1"]}
{"name": "Protein Wnt", "xref": ["CHEMBL.TARGET:CHEMBL1255148"], "id": "UniProtKB:Q6IYD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOQXQYXTZZHYBF-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16117", "category": ["biolink:ChemicalEntity"], "name": "PHILANTHOTOXIN 343", "xref": ["InChIKey:DTWANULJDRVTFI-NRFANRHFSA-N", "SMILES:CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1269127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXAXDHXYFYFPY-BFBPZRSYSA-N", "SMILES:NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXZRLFPGYWHTM-LJAQVGFWSA-N", "SMILES:NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRTJBUGCGGXTRV-PMERELPUSA-N", "SMILES:NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIRMNVOEQMAKFM-DEOSSOPVSA-N", "SMILES:NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSBTWFASLVAGY-NRFANRHFSA-N", "SMILES:NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWPVFHZSTTYORI-NRFANRHFSA-N", "SMILES:CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCNCCCCNCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCYOBFZJFSWFGV-QRTARXTBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMXAOYWSLZLQM-MCOVPRHSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271027", "category": ["biolink:ChemicalEntity"], "name": "AMPKINONE", "xref": ["InChIKey:BRRCHDIWBKOMEC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(c1ccc(C(=O)c3ccccc3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325041", "category": ["biolink:ChemicalEntity"], "name": "BORTEZOMIB", "xref": ["InChIKey:GXJABQQUPOEUTA-RDJZCZTQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O"], "synonym": ["Bortezomib", "Bortezomib", "Bortezomib", "Bortezomib", "Bortezomib", "Bortezomib hydrate", "Bortezomib", "Bortezomib", "LDP-341", "NSC-681239", "PS-341", "Bortezomib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL412350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORVOOWMQMYEAKE-KOCZBTFPSA-N", "SMILES:C[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKHSDASMMPEJK-NWWLCHBLSA-N", "SMILES:COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](Cc2cc(OC)c(OC)c(OC)c2)NC(=O)Cc2cccc(Oc3ccccc3)c2)C(C)C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORAVQZCTZZMRFE-IGMOWHQGSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc2ccccc2)NC(=O)c2cnc(C)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQYGJUCAOKPRAS-YDAXCOIMSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc2ccccc2)NC(=O)Cc2cccc(Oc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJCPJOKYFCQKI-LQJZCPKCSA-N", "SMILES:COC[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIVIROXARZZDSH-YFJAQMBXSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2cccc(Oc3ccccc3)c2)[C@@H](C)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXODAAKOADGPCV-HEVIKAOCSA-N", "SMILES:COC[C@H](NC(=O)Cc1cccc(OCc2ccccc2)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBXMNEJMZXOASZ-DJDPXSJISA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](C)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDKULTBIORPSQP-ZEZZXZOMSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)C(C)(C)Oc2ccccc2Cl)[C@@H](C)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCDJECLELEHRP-HZXVKSMZSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2C)[C@@H](C)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTNVDVZDMWYKHD-OJAVPYJASA-N", "SMILES:COc1ccc2c(c1)C(CC(=O)N[C@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(C)cc1)[C@@H](C)O)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRHHMHLSHXPOTP-GIMCXEQMSA-N", "SMILES:COc1ccc2c(c1)CC(C(=O)N[C@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(C)cc1)[C@@H](C)O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJVQIJNXZGUKV-MHWRTBLVSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)C(=O)c2c[nH]c3ccccc23)[C@@H](C)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGCBERKPNDDJX-KUSJRIKGSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](NCc2ccc(OCc3ccccc3)cc2)[C@@H](C)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRKUOGNCAEVRL-DJDPXSJISA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKOKJHDXICXIDE-CFEPJYAVSA-N", "SMILES:CC(NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)[C@@H](C)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWNDZCJELVSRS-GTTXMTDLSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSYJFDJBQBWIM-AIGMYPEUSA-N", "SMILES:CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CISIXWGCLAQZEP-WWEDSPNTSA-N", "SMILES:C=CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUKBIGPUDWXGDV-LNMMVMNESA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTFQYZXIOMRTLK-OBVGZQLQSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMOOXEWMMFPCTO-OBVGZQLQSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDVPZRRBJJONI-RVBRUHEGSA-N", "SMILES:Cc1ccccc1CCC(=O)N[C@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBUDFCHDYTBDG-AVKNQKEWSA-N", "SMILES:Cc1ccsc1CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDYGYKZZNOIMHL-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCCCNC1CCCCC1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYRJJAPRRPKQT-UHFFFAOYSA-N", "SMILES:Cn1nc(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMLLORAXHZMHKK-UHFFFAOYSA-N", "SMILES:O=C(CCCCC[Se][Se]CCCCCC(=O)Nc1ccccc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEQWBIGMIIMRB-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQRSHJLYBMCHG-BZIICHBDSA-N", "SMILES:CC(/C=C/C(=O)Nc1ccccc1N)=C\\[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPARTCPUGRJFRS-PBDCIXLPSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4(C(=O)OCCCC)CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDSMOBGCNRBHQ-RMKNXTFCSA-N", "SMILES:COc1c(C)c(O)c(C)c(O)c1C(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1271362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZVHLGKYJTCKP-CMDGGOBGSA-N", "SMILES:COc1cc(O)c(C)c(O)c1C(=O)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL509947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWBEELZNSXNME-CMDGGOBGSA-N", "SMILES:COc1c(C)c(O)c(C)c(O)c1C(=O)/C=C/c1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1092740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICIJDHUPWYQXGB-LMXNTIJMSA-N", "SMILES:CC(=O)Nc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(/N=N/c6ccccc6)c(S(=O)(=O)O)cc5c4)ccc3c2O)cc1"]}
{"name": "Protein arginine N-methyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL1275220"], "id": "UniProtKB:Q63009", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEAYLNJEDDOYNQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)c1cc(O)c2cc(Nc3ccccc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL142304", "category": ["biolink:ChemicalEntity"], "name": "STILBAMIDINE", "xref": ["InChIKey:MMURVNDSFNJHAM-OWOJBTEDSA-N", "SMILES:N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2)cc1"], "synonym": ["Stilbamidine", "NSC-35605"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1270903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLXJEKMMAVZJT-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CN)ccc32)cc(OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKGXTINFOCFGMP-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMCYRVDNYTQQJ-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN(C)C)ccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNJRJYZIPHNOK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cc(OC)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOKAHRZLFGYFH-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN(CCO)CCO)ccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZAVYQIWOXKTAK-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN4CCCC4)ccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWGBNUUTZNJELK-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN4CCCCC4)ccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGFNMJAIFAVRKJ-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN4CCOCC4)ccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNCASYIYRBBBK-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN4CCC(O)CC4)ccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POPKTSMFYDBFGJ-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN)ccc32)cc(OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRVRGNSONRZHL-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCCN)ccc32)cc(OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVEDDNVVUURXPY-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCCCN)ccc32)cc(OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGEREPJZBLPAGS-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCCCCN)ccc32)cc(OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVMCRAUFZGWGLZ-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)C(C)N)ccc32)cc(OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXGOGJBBMTTAS-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)C(N)C(C)C)ccc32)cc(OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYKJLYCBRVPBJO-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)C(N)CCCCN)ccc32)cc(OC)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPFHHLNJAIBTBN-UHFFFAOYSA-N", "SMILES:O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQSAGQLIQQSON-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)OCC#CCSc1nnc(-c2cccc3ccccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZATBQSACZKON-UHFFFAOYSA-M", "SMILES:CCN(CC)c1ccc2cc(/C=C/C3=[N+](CCCCCC(=O)Oc4cccc(CCN5CCN(c6ccccc6OC)CC5)c4)c4ccccc4C3(C)C)c(=O)oc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWRUQHQYQAMBK-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYHRSROCIJIIK-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCCN2CCN(c3ncccc3C#N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRWIMPDPKYXNEE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1"]}
{"name": "Orexin receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL1275216"], "id": "UniProtKB:P56719", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Orexin/Hypocretin receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL1075232"], "id": "UniProtKB:P56718", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1272170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYYXKPBLWDDQQK-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(C)C)C2=O)C(=O)c2cc(O)c(O)c(C(C)C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLHWQAOYOUAEN-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCC(C)c3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)NCC(C)c3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCRNSHKDFXKOS-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCc3cccc(C)c3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)NCc3cccc(C)c3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVTWLAHKJHMFIG-UHFFFAOYSA-N", "SMILES:CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c2C(=O)C(C)=C(C2=C(C)C(=O)c4c(cc(O)c(O)c4C(=O)NCCc4ccc(CC)cc4)C2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHKXGNXMEYEFDZ-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1272224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQSAWHWCPIWPF-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CC(C)C)C2=O)C(=O)c2cc(O)c(O)c(CC(C)C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTDRIDPCXQAET-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CC3CCCC3)C2=O)C(=O)c2cc(O)c(O)c(CC3CCCC3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRDVELNWXCONS-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCC3CCCCC3)C2=O)C(=O)c2cc(O)c(O)c(CCC3CCCCC3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBKZDLBSIWCDU-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPHBSOQOTONLSS-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccc(C)cc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccc(C)cc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHLVJEYCYRBSHE-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCCc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(CCCc3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKCJHLDNDUHFN-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCC(C)(C)c3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(CCC(C)(C)c3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEJPMWKHSOLTHK-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLIRYIAIWXGLH-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccc(OC(F)(F)F)cc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccc(OC(F)(F)F)cc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIPUNYYGQTJKB-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCCc3ccc(F)cc3)C2=O)C(=O)c2cc(O)c(O)c(CCCc3ccc(F)cc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDOLFRTQJYSLY-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccc(Cl)cc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGACFBHSEIBVFZ-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccc(-c4ccccc4)cc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccc(-c4ccccc4)cc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXHOLXTKQJDPG-KQQUZDAGSA-N", "SMILES:Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1272227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRVZRTDNFIDVMM-PHEQNACWSA-N", "SMILES:Oc1cccc(/C=C/c2ccc(/C=C/c3cccc(O)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1272278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GASKVVOPEOTUDE-KQQUZDAGSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(/C=C/c3cc(O)cc(O)c3)cc2)c1"]}
{"name": "Penicillin-binding protein 4", "xref": ["CHEMBL.TARGET:CHEMBL1287593"], "id": "UniProtKB:A0A0H2WY27", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93062"]}
{"id": "CHEMBL.COMPOUND:CHEMBL819", "category": ["biolink:ChemicalEntity"], "name": "OXACILLIN", "xref": ["InChIKey:UWYHMGVUTGAWSP-JKIFEVAISA-N", "SMILES:Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O"], "synonym": ["Oxacillin", "Oxacillin", "Oxacillin", "Oxacilline", "Oxacilina", "Oxacillin", "Oxacillin", "Oxazocilline"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1229", "category": ["biolink:ChemicalEntity"], "name": "OSELTAMIVIR", "xref": ["InChIKey:VSZGPKBBMSAYNT-RRFJBIMHSA-N", "SMILES:CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1"], "synonym": ["Oseltamivir", "Oseltamivir", "Oseltamivir", "Oseltamivir", "GS 4104", "GS-4071 ETHYL ESTER", "GS-4104", "GS4104", "RO 640796", "RO-64-0796", "RO-640796", "RO64-0796"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Sialidase-3", "xref": ["CHEMBL.TARGET:CHEMBL3046"], "id": "UniProtKB:Q9UQ49", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1275761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZOPHMIKLQWPS-OVEYIESNSA-N", "SMILES:C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@](C)(O)[C@@H]2C(=O)CCNCCCNCCCCNCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1275762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGLIIWDIABWLA-JHPSKSJNSA-N", "SMILES:C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@](C)(O)[C@@H]2C(=O)CCSCCCC(=N)NCCCNCCCCNCCCNC(=N)CCCSCC(=O)[C@@H]1[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C[C@]1(C)O"]}
{"name": "Equilibrative nucleoside transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL1287614"], "id": "UniProtKB:O54699", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium/nucleoside cotransporter 1", "xref": ["CHEMBL.TARGET:CHEMBL1287615"], "id": "UniProtKB:Q62674", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium/nucleoside cotransporter 2", "xref": ["CHEMBL.TARGET:CHEMBL1287616"], "id": "UniProtKB:Q62773", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Equilibrative nucleoside transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL4604"], "id": "UniProtKB:O54698", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sodium/nucleoside cotransporter 2", "xref": ["CHEMBL.TARGET:CHEMBL1287613"], "id": "UniProtKB:O88627", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCJSAFZMXVQVBR-PMACEKPBSA-N", "SMILES:CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KESJHBITHJMSMQ-SFTDATJTSA-N", "SMILES:CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1087650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZPDPRITYJNRSG-ZEQRLZLVSA-N", "SMILES:CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc(O)c4)c(-c4ccncc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKNBEMCTQRLGS-IZZDOVSWSA-N", "SMILES:NC(=S)N/N=C/CSc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1275672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKOUGDVYBSIMT-RIYZIHGNSA-N", "SMILES:CC1S/C(=N/N=C/CCSc2ccccc2)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRQLYFWHPDMEA-VGOFMYFVSA-N", "SMILES:Cc1ccc(SC/C=N/N=C2\\NC(=S)C(C)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYXXAFWZHSVEM-ZAUJTXRMSA-N", "SMILES:O=C1CS/C(=N/N=C/C=C/c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBORPXUUJFWAE-XYOKQWHBSA-N", "SMILES:NC(=S)N/N=C/CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHUQFXIRXYXNOZ-HCFISPQYSA-N", "SMILES:NC(=S)N/N=C/C=C/c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1276198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBSCVBCPHIPPEZ-RIYZIHGNSA-N", "SMILES:CC1S/C(=N/N=C/CCSc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXADYWMTXOVLGI-VIZOYTHASA-N", "SMILES:CCC1S/C(=N/N=C/CSc2ccc(Br)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDFFMICIXUJCR-WLRTZDKTSA-N", "SMILES:O=C1CS/C(=N/N=C/CSc2ccc(Cl)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPDVSYNJINCAAF-CXUHLZMHSA-N", "SMILES:CCC1S/C(=N/N=C(\\C)CSc2ccc(S)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSPZJZLFVXKIS-VGOFMYFVSA-N", "SMILES:Cc1ccc(SC/C=N/N=C2\\NC(=O)C(C)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHICSMSRMHKBMH-RQZCQDPDSA-N", "SMILES:CCC1S/C(=N/N=C(\\C)CSc2ccc(Cl)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWLIYKTEKHJDD-GZTJUZNOSA-N", "SMILES:CCC1S/C(=N/N=C(\\C)CSc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLARZUCPJASDL-NTUHNPAUSA-N", "SMILES:CC1S/C(=N/N=C/CSc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INSBQXWPOAUXGT-VIZOYTHASA-N", "SMILES:CC1S/C(=N/N=C/CCSc2ccc(Cl)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUKSEJSZOXDNX-WLRTZDKTSA-N", "SMILES:O=C1CS/C(=N/N=C/CSc2ccc(Br)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQNCHPVBHOQEB-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)OCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKAOODLNIRKGO-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)OCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3217148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWOARSWNKLGFBO-TXEPZDRESA-N", "SMILES:Cl.Cl.NCCCC[C@H](N)C(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWOARSWNKLGFBO-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCCC(N)C(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWOARSWNKLGFBO-JQDLGSOUSA-N", "SMILES:Cl.Cl.NCCCC[C@@H](N)C(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3217149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLAHHRDIRFNUNX-FJSYBICCSA-N", "SMILES:Cl.Cl.NCCCC[C@H](N)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLAHHRDIRFNUNX-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCCC(N)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLAHHRDIRFNUNX-FAVHNTAZSA-N", "SMILES:Cl.Cl.NCCCC[C@@H](N)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBECPRYKHHWFBH-FYZYNONXSA-N", "SMILES:Cl.N[C@@H](Cc1cnc[nH]1)C(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBECPRYKHHWFBH-UHFFFAOYSA-N", "SMILES:Cl.NC(Cc1cnc[nH]1)C(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBECPRYKHHWFBH-FSRHSHDFSA-N", "SMILES:Cl.N[C@H](Cc1cnc[nH]1)C(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTIDDOYONXPGK-BDQAORGHSA-N", "SMILES:Cl.N[C@@H](Cc1cnc[nH]1)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTIDDOYONXPGK-UHFFFAOYSA-N", "SMILES:Cl.NC(Cc1cnc[nH]1)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTIDDOYONXPGK-VEIFNGETSA-N", "SMILES:Cl.N[C@H](Cc1cnc[nH]1)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWYUFGMGXYGNE-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1278039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRFGJPUBYRYCN-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3215605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNOHZQKFIABLX-TXEPZDRESA-N", "SMILES:Cl.Cl.NCCCC[C@H](N)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNOHZQKFIABLX-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCCC(N)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3215811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNOHZQKFIABLX-JQDLGSOUSA-N", "SMILES:Cl.Cl.NCCCC[C@@H](N)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJUALJWBMEAQY-FJSYBICCSA-N", "SMILES:Cl.Cl.NCCCC[C@H](N)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJUALJWBMEAQY-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCCC(N)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3215604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJUALJWBMEAQY-FAVHNTAZSA-N", "SMILES:Cl.Cl.NCCCC[C@@H](N)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSRWGTUBMMTCT-FYZYNONXSA-N", "SMILES:Cl.N[C@@H](Cc1cnc[nH]1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSRWGTUBMMTCT-UHFFFAOYSA-N", "SMILES:Cl.NC(Cc1cnc[nH]1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSRWGTUBMMTCT-FSRHSHDFSA-N", "SMILES:Cl.N[C@H](Cc1cnc[nH]1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCPNMBQGMGLCB-BDQAORGHSA-N", "SMILES:Cl.N[C@@H](Cc1cnc[nH]1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCPNMBQGMGLCB-UHFFFAOYSA-N", "SMILES:Cl.NC(Cc1cnc[nH]1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCPNMBQGMGLCB-VEIFNGETSA-N", "SMILES:Cl.N[C@H](Cc1cnc[nH]1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3215817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFFRNUIHCHYHDS-NTEVMMBTSA-N", "SMILES:Cl.Cl.N=C(N)NCCC[C@H](N)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNNBCEHMWPSZSC-TXEPZDRESA-N", "SMILES:Cl.Cl.N=C(N)NCCC[C@H](N)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKYVVYDVXHCRJT-UHFFFAOYSA-N", "SMILES:Cl.NCCNCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYMDFWJTDPSMJH-UHFFFAOYSA-N", "SMILES:Cl.NCCNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYLHMNRGMIHTH-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCCC(N)CNCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATXRQPWIDGRJDF-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCCC(N)CNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTXGJBLLJCKGT-ZCXUNETKSA-N", "SMILES:Cc1cc2nc3s/c(=C4\\C(=O)N(CC(=O)O)c5ccccc54)c(=O)n3c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL102285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWYFDRCLIPYVQU-UHFFFAOYSA-O", "SMILES:CCCNC(=O)Cn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILIXUHGYJOVQCH-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVXVLOZZCORSN-HNENSFHCSA-N", "SMILES:CCCOc1ccc(-c2nc3s/c(=C4\\C(=O)N(CC(=O)O)c5ccccc54)c(=O)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFADEODGMAKVRR-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Sc1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTLNRFLKRHZMRF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc3nc4c5ccccc5c(Cl)nn4c(=O)c23)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUKCDERRJXGLBX-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1278026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXVGEVDZHCCEH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(CNC(=O)c2cc3c(c4c2[nH]c2ccccc24)C(=O)NC3=O)c1"]}
{"name": "Calcium/calmodulin-dependent protein kinase type IV", "xref": ["CHEMBL.TARGET:CHEMBL2494"], "id": "UniProtKB:Q16566", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase D2", "xref": ["CHEMBL.TARGET:CHEMBL4900"], "id": "UniProtKB:Q9BZL6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGLPAZMEWKDFW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CS(=O)(=O)NCB(O)O)cc1"]}
{"name": "AmpC", "synonym": ["Beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL1287629"], "id": "UniProtKB:Q84AD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:573"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231476", "category": ["biolink:ChemicalEntity"], "name": "PINACOL(PHENYLMETHANESULFONYLAMINO)METHANEBORONATE", "xref": ["InChIKey:TTWWUAQISBIHPB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1ccccc1)NCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGDHMDPXQCOQBD-KVRRUJAESA-N", "SMILES:C[C@H]1C=C(CCCCCCCCCCCC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)O2)C(=O)O1"]}
{"name": "ABC-type oligopeptide transporter ABCB9", "xref": ["CHEMBL.TARGET:CHEMBL1293189"], "id": "UniProtKB:Q9NP78", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191003", "category": ["biolink:ChemicalEntity"], "name": "JNJ-7706621", "xref": ["InChIKey:KDKUVYLMPJIGKA-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1287883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABBNZZMPROWAP-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2cccc(S(N)(=O)=O)c2)nn1C(=O)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJAICIVAVSHFRM-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGFGFQUPXGGIOJ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQBOTTUNDDRNQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c3c(cc4c2[nH]c2ccccc24)COC3=O)cc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXJJOFFFTXGHHC-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOUZGSAIXPSHH-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOREXFVRNUFEF-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJDBJOGHBERCE-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKUBNZAXDYKMDG-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXUEUHJLRJWGE-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTFCHNCSBHFPIV-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEBEUZTAPIOIO-UHFFFAOYSA-N", "SMILES:CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGUUWPGEJOKAS-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SCC(=O)Nc3ccc(Br)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLGDHYIVLLMTF-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SCC(=O)Nc3ccccc3OC)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQVKNLFXTYIOBL-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUHRVSJNFZIGI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFFXNRATVWPCHY-UHFFFAOYSA-N", "SMILES:CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(OC)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHANPVGJVOXZGY-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SCC(=O)Nc3ccc(OC)c(OC)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPNFPCQMIHCJI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SCC(=O)Nc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQDSNOFTIZWAX-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURMJKMHKRNTDZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULOKADSYVZOTTL-ZMOGYAJESA-N", "SMILES:COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYIWBVKQMEKHM-YBFXNURJSA-N", "SMILES:CCCC(C)c1ccc(OCC(=O)N/N=C/c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSDMNVUXWIYLFO-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)NN2C(=O)CSC2c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLYJPXJTAETRY-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAKOEGLHHUJPRE-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(c2cccc(OCc3ccccc3)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIKZTRKGPDDDC-BZSNNMDCSA-N", "SMILES:CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBGOORJEKQQLG-JUZZZACGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](CCSC)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFMMJNKICPJJH-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTRIQZDTRBQJBK-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMDCQSGOYXJQH-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)Nc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSUKKJKUETYPHG-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)Nc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQRGANWETOWARH-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAEMEJXJPBESQO-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQNGFDPBOUNHF-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDMGCXUZFQYMLE-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWQJQRUGXKKNB-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEEKJFRTLQHATJ-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPXXKKBVNKUIN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPIHLRADSIWEG-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLRQGEBIUWGTQI-YVUBOPQPSA-N", "SMILES:COc1ccc(CC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDAQWGGOMVEJID-GRKKMJAJSA-N", "SMILES:O=C(Cc1ccc(Br)cc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVFFHYBRLJHKY-ZYZAVJBWSA-N", "SMILES:O=C(CNc1ccccc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVKGWIIGOCDFKW-QNGBLFLMSA-N", "SMILES:CCC(Nc1ccc(OC)cc1)C(=O)N/N=C(C)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXJCBDYFNJVDR-QYHMLUOSSA-N", "SMILES:O=C1NCC(c2ccccc2)C1C(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFMJEUEUPHGHU-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)N3CCC(n4c(C)nc5ccccc54)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFINORKTHQRPLO-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1C1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL400089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKYFNIZXANDKH-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)N3CCC(n4c(CC(C)C)nc5ccccc54)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXMMUKPLDIXTI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)N3CCC(n4c(C(F)(F)F)nc5ccccc54)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSWMXKHYJKZDL-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)N3CCC(n4c(-c5ccccc5)nc5ccccc54)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNFUDZGKRZEER-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGMZPONXCJZIR-UHFFFAOYSA-N", "SMILES:CSc1ccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFOVPXHJZRBDV-UHFFFAOYSA-N", "SMILES:CCc1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVEGWYOUJZKXIV-MRXNPFEDSA-N", "SMILES:CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFOTTYJRUVOFU-MRXNPFEDSA-N", "SMILES:CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKDVANPDDHJKRI-MRXNPFEDSA-N", "SMILES:CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMIYHYZENWWFRZ-MRXNPFEDSA-N", "SMILES:CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPDMNQXBFDZQTH-OAHLLOKOSA-N", "SMILES:CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(OC(F)(F)F)ccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SADOBIBJBVJXKY-GOSISDBHSA-N", "SMILES:CCc1ccc2[nH]c(C(=O)N3CC[C@@H](n4c(CC)nc5ccccc54)C3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL400723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTSVIVIZRMTHNK-CQSZACIVSA-N", "SMILES:CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2nc3cc(OC)ccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDXHAKUWAHYGG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSZETYWEVWZRK-UHFFFAOYSA-N", "SMILES:O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXLUXOORDXRJM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CCCCc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJBEWNJZIYMLD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMHXLMYVNRJVIV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)NN2C(=O)c3ccccc3NC2c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNZDLULQBPVCN-RGVLZGJSSA-N", "SMILES:O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUOOKQKTRIEAX-BHGWPJFGSA-N", "SMILES:O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVSFTQQOAATUEJ-KAHCOFSNSA-N", "SMILES:COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)CCl"]}
{"name": "Proteinase K", "xref": ["CHEMBL.TARGET:CHEMBL1075070"], "id": "UniProtKB:P06873", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:37998"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRNYPXVPOXZMZ-JXVINKLPSA-N", "SMILES:COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)CCl)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZDKDDCWIEQIN-UHFFFAOYSA-N", "SMILES:CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)[O-])c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQGIDRANYSUCGI-HKGQQODZSA-N", "SMILES:CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](COP(=O)([O-])O[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHDYNHQPHYZCO-WQYNNSOESA-M", "SMILES:N[C@@H](CCC(=O)N[C@@H](COP(=O)([O-])O[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSFNOMXHPMYIQ-AWEZNQCLSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVWIWPIFTLQAKM-DCFHFQCYSA-N", "SMILES:COc1ccc2ccc([C@H](C)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)Nc3cccc4cccnc34)cc2c1"]}
{"name": "Histone deacetylase", "xref": ["CHEMBL.TARGET:CHEMBL1293190"], "id": "UniProtKB:Q7K6A1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYFKGBVXACHBX-VWLOTQADSA-N", "SMILES:COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)NO)C(=O)Nc3cccc4cccnc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLMYRIXZPZBOR-MHZLTWQESA-N", "SMILES:CN(C)c1ccc(C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)Nc2ccccc2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWADDOCFGSZJCV-UOYPZJKHSA-N", "SMILES:CNCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGAZFLUQTAJLGR-GMDRLUGNSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCNCCc2ccccc2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWQXPIOHEBRBJA-UQEZQTQMSA-N", "SMILES:CCCCCCNCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYQMJXHDZMRDS-URQYDQELSA-N", "SMILES:CCCNCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288652", "category": ["biolink:ChemicalEntity"], "name": "5-BENZYLOXYTRYPTAMINE", "xref": ["InChIKey:WKPDXBXNJWWWGQ-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c2ccc(OCc3ccccc3)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL595547", "category": ["biolink:ChemicalEntity"], "name": "5'-CARBOXY ADENOSINE", "xref": ["InChIKey:IBYWUFHJUDTSOC-SOVPELCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1290648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJTMXEFTZIGLGL-HCZOVWHVSA-N", "SMILES:Cc1cn([C@H]2C[C@H](NC(=O)C(N)CC(=O)O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288589", "category": ["biolink:ChemicalEntity"], "name": "5'-CARBOXY THYMIDINE", "xref": ["InChIKey:TURHENGAFSXIAQ-XVMARJQXSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](C(=O)O)O2)c(=O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1289102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFUWEBOUKIKRP-LPYMAVHISA-N", "SMILES:COc1ccc(-c2cc(C(=O)N/N=C(\\C)c3ccc(OC)c(OC)c3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOXCTLAKMCIWCF-CVKSISIWSA-N", "SMILES:O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNYUORPJEXINBP-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1cc(-c2ccc(O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNSZPMASIQLDX-UHFFFAOYSA-N", "SMILES:Oc1ccc(-n2cc(-c3cccnc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRCBXHCIAWWHDI-UHFFFAOYSA-N", "SMILES:Oc1ccc(-n2cc(-c3cncc4ccccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAZNDXVEAROTIW-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cc(-c3ccc(O)cc3)nn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYUTLDSGNNFPU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)N(c2cccc(F)c2)C2CCN(CCC3(c4cccc(F)c4)CCN(C(=O)c4c(Cl)cncc4Cl)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVBEFRNLKBAQY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)N(c2cccc(F)c2)C2CCN(CCC3(c4cccc(F)c4)CCN(C(=O)c4ccnc(Cl)c4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKRXVCXVCJLJK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)N(c2cccc(F)c2)C2CCN(CCC3(c4cccc(F)c4)CCN(C(=O)c4cccnc4F)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDDKSAGDXKIGLA-UHFFFAOYSA-N", "SMILES:Cn1cc(Cl)c(C(=O)N2CCC(CCN3CCC(N(C(=O)NCc4ccc(C#N)cc4)c4cccc(F)c4)CC3)(c3cccc(F)c3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRISOLUSUCORG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)N(c2cccc(F)c2)C2CCN(CCC3(c4cccc(F)c4)CCN(C(=O)c4cn[nH]c4C(F)(F)F)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVZZNUSQZPVHTD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)N(c2cccc(F)c2)C2CCN(CCC3(c4cccc(F)c4)CCN(C(=O)c4nsnc4O)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTOPKYCFRUBLMK-UHFFFAOYSA-N", "SMILES:CC(C)(O)C(=O)N1CCC(CCN2CCC(N(C(=O)NCc3ccc(C#N)cc3)c3cccc(F)c3)CC2)(c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVANVFNPZWSWRM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2sc(C(=O)NCc3cccs3)cc2S(=O)(=O)N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVCIDIQAWPEAZ-LBPRGKRZSA-N", "SMILES:NC(=O)c1nnc(N[C@H]2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGKMUICUBCAKMJ-RFBAJPLNSA-N", "SMILES:CC(/C=C/C(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C)=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1983317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRWXFAJXPKDLK-SAPNQHFASA-N", "SMILES:Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJHJUVZEFZWQV-ISLYRVAYSA-N", "SMILES:Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1287866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJUKTJXWIFOPJJ-FOCLMDBBSA-N", "SMILES:Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1287867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTBUKVBQVDVBD-SAPNQHFASA-N", "SMILES:Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1287895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDPZGEIGUACCAU-ISLYRVAYSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGXJFJBRMKYDL-FYWRMAATSA-N", "SMILES:Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C/c1ccc(Cl)c(Cl)c1"]}
{"name": "Ribosyldihydronicotinamide dehydrogenase [quinone]", "xref": ["CHEMBL.TARGET:CHEMBL3959"], "id": "UniProtKB:P16083", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRZSRWMMUGOBP-UHFFFAOYSA-N", "SMILES:Nc1ccnc2cc(Cl)ccc12"]}
{"name": "Major prion protein", "xref": ["CHEMBL.TARGET:CHEMBL1293203"], "id": "UniProtKB:P04273", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10036"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVSVCLNPECDDKD-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(NC3CCCC3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSYOSUMAMNFKSM-UHFFFAOYSA-N", "SMILES:OCCNc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWTWMUXPAIGYME-UHFFFAOYSA-N", "SMILES:CNc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGKITGMYHCRUFD-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(N5CCOC5=O)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPSEWNPWLYICF-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGDCXFKDMXWPY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5scnc5C)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAPNFDLJRSFKB-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5csc(C)n5)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZDMBDTUWIZSV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRPLSQREDOZNT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cccc(F)c5)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGIPJSRRBSRWME-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5F)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHDILTZHICULAX-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUIXALAIAVCPH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)(C)C)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYWSPGNYZDCPLZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDNMAHYHMXHIIS-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJYRUIJZMZVJE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHJTHWUWGJDOX-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVROJQOCQABGA-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSXQLHFTRQRQJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccc(F)cc5)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLFJOXUSYBNKZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBUCFEOIQMRVHB-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQIVPUNKUNABAV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Nc5cccc(F)c5)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQACFCEZPKMTA-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)sc2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHVMGAFAKSNOM-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)sc2c1CCCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1632050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNTHEGHTRIVIDC-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(N)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYYKIHEIOOWRB-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRPRBNMOLCLEDL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(N)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDMBPDMXBJUYMB-UHFFFAOYSA-N", "SMILES:CC1CCc2c(sc(N)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSSIVVJQQNBCO-UHFFFAOYSA-N", "SMILES:CCC1CCc2c(sc(N)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJOQDLSCOMRQU-UHFFFAOYSA-N", "SMILES:CCCC1CCc2c(sc(N)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1391491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSRQCZCDBRHPHQ-UHFFFAOYSA-N", "SMILES:CC1CCc2c(sc(N)c2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDTYZCRSUWTPDY-UHFFFAOYSA-N", "SMILES:CCC1CCc2c(sc(N)c2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1478428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRAQHIIJRKEFBF-UHFFFAOYSA-N", "SMILES:CCCC1CCc2c(sc(N)c2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631581", "category": ["biolink:ChemicalEntity"], "name": "RUSTMICIN", "xref": ["InChIKey:LCMZUWGOWDQRBC-WGUQXDEUSA-N", "SMILES:C=C1/C=C(\\C)[C@H](CC)CC(=O)[C@H](C)C(=O)[C@@](O)(CO)C/C(OC)=C/[C@@H](C)C1"]}
{"name": "Inositol phosphorylceramide synthase", "xref": ["CHEMBL.TARGET:CHEMBL1641343"], "id": "UniProtKB:O13332", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1793802", "category": ["biolink:ChemicalEntity"], "name": "AUREOBASIDIN A", "xref": ["InChIKey:RLMLFADXHJLPSQ-QKCBWMAHSA-N", "SMILES:CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O"], "chembl_natural_product": true}
{"name": "Inositol phosphorylceramide synthase catalytic subunit AUR1", "xref": ["CHEMBL.TARGET:CHEMBL1641344"], "id": "UniProtKB:P36107", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPNGLQDRSJNLPL-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12)Nc1ccc(C(=O)O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFMVHSYPNSCNI-UHFFFAOYSA-M", "SMILES:COc1ccc2c(Cc3cccc(-c4cc5cc([N+](=O)[O-])ccc5[nH]4)c3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWIQHAFMBNXOJA-UHFFFAOYSA-M", "SMILES:COc1ccc2c(Cc3ccc(-c4cc5cc([N+](=O)[O-])ccc5[nH]4)cc3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLKOLRAYQWILGD-UHFFFAOYSA-N", "SMILES:Cc1c(C(C)OC(=O)Nc2ccccc2)oc2ncnn12"]}
{"name": "Metabotropic glutamate receptor 5", "xref": ["CHEMBL.TARGET:CHEMBL1641352"], "id": "UniProtKB:Q3UVX5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIIPRQLOBRWSRN-ZMBIFBSDSA-M", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1CCP(=O)([O-])O1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIIPRQLOBRWSRN-BOXHHOBZSA-M", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CCP(=O)([O-])O1.[Na+]"]}
{"name": "Lysophosphatidic acid receptor 5", "xref": ["CHEMBL.TARGET:CHEMBL5700"], "id": "UniProtKB:Q9H1C0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486231", "category": ["biolink:ChemicalEntity"], "name": "GS-461203", "xref": ["InChIKey:IPHULAIUXUVCHH-VPCXQMTMSA-N", "SMILES:C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O"], "synonym": ["Gs-461203", "Psi-7409"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHKFLBOLYREYDO-SHYZEUOFSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJVMHPXNRKWGF-XWQGWOARSA-N", "SMILES:CC[C@@]1(OC(=O)NCCNC(=O)CCSSCCC(=O)NCCNC(=O)O[C@]2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBOIMBCTACNICD-LJAQVGFWSA-N", "SMILES:CC[C@@]1(OC(=O)NCCN2C(=O)CCSSCCC2=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTXCKRVZFAKFY-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(C)c3c4ccccc4nc(Cl)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSAYKWXYWDLZML-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCCN3CCOCC3)c3c4ccccc4nc(Cl)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWVNEWGKWRGSRK-UHFFFAOYSA-N", "SMILES:Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1169827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGRNBEGQBHHKMY-UHFFFAOYSA-N", "SMILES:Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O"]}
{"name": "Peroxisome proliferator-activated receptor delta", "xref": ["CHEMBL.TARGET:CHEMBL2458"], "id": "UniProtKB:P35396", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1629930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQXIBDZTQDVOR-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLGYBLBWXDNLPU-LRRIJUGISA-N", "SMILES:CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)CC)NC1=O"]}
{"name": "Eukaryotic translation initiation factor 4E", "xref": ["CHEMBL.TARGET:CHEMBL5636"], "id": "UniProtKB:P29338", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1629782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDFUWNLVWQILT-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRURMLHGCOJTNX-HKWRFOASSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C12CC1/C(=N\\O)c1ccccc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKCTUZKPBYSTDW-SILNSSARSA-N", "SMILES:Cc1ccc(NC(=O)C23CC2/C(=N\\O)c2ccccc2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGVOWFKLSZRDR-SILNSSARSA-N", "SMILES:COc1ccc(NC(=O)C23CC2/C(=N\\O)c2ccccc2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1645419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNFIJNHLCALWSA-VHCYLRGUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSN=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1641698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLSLYUFKIKYVII-GUXLZLHYSA-N", "SMILES:COC(=O)[C@H](c1ccc([125I])cc1)[C@H]1CCCCN1Cc1ccc(N=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1641780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZNFATFIUGOKAM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NN3CCOCC3)c2cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1641774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOWZBACGBVGNGM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc4ccccc34)c2cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1641992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUEIZCVGJKOLIS-UHFFFAOYSA-N", "SMILES:CN1CCN(CCC(=O)Nc2ccc3c(C#N)cnc(Nc4cccc(Br)c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1641990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHVSLCCGZVJESA-QPJJXVBHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2c(C#N)cnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1641820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKXZDCJRICAKF-VQEIQWHOSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OCC[18F])cc4C3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1641819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKLKIAJAJFYRQO-QBZPUJSJSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc4c(=O)c5cccc(OCC[18F])c5[nH]c34)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1643172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEXXFIGJXWLYCK-UNHVDRLTSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(C#CCO[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1643176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCJVWERVYCUPFJ-DETITRACSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(C#CCO[C@H]3CC[C@H](N)[C@H](C)O3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1643168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEXXFIGJXWLYCK-BAVQNTHSSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(C#CCO[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTQZOHOVPUDAK-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(CCc3ccccc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STPMQSCPGDQKBC-SPKGXMBTSA-N", "SMILES:NCCN(CCN)CCNC(=O)Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(CC(=O)NCCN(CCN)CCN)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(=O)[nH]c5=O)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(N)nc5=O)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(N)nc5=O)O[C@@H]4COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)O[C@@H]5[C@H](O)[C@@H](COP(=O)(O)O[C@H]6[C@@H](O)[C@H](n7ccc(=O)[nH]c7=O)O[C@@H]6COP(=O)(O)O[C@H]6[C@@H](O)[C@H](n7ccc(=O)[nH]c7=O)O[C@@H]6COP(=O)(O)O)O[C@H]5n5cnc6c(=O)[nH]c(N)nc65)O[C@H]4n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3n3cnc4c(=O)[nH]c(N)nc43)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUARDPBZISJVGI-QNSNVNLYSA-N", "SMILES:NCCN(CCN)CCNC(=O)Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(CC(=O)NCCN(CCN)CCN)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(N)nc5=O)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@@H]5[C@H](O)[C@@H](COP(=O)(O)O[C@H]6[C@@H](O)[C@H](n7ccc(=O)[nH]c7=O)O[C@@H]6COP(=O)(O)O[C@@H]6[C@H](O)[C@@H](COP(=O)(O)O[C@@H]7[C@H](O)[C@@H](COP(=O)(O)O[C@H]8[C@@H](O)[C@H](n9ccc(=O)[nH]c9=O)O[C@@H]8COP(=O)(O)O[C@@H]8[C@H](O)[C@@H](COP(=O)(O)O[C@H]9[C@@H](O)[C@H](n%10ccc(N)nc%10=O)O[C@@H]9COP(=O)(O)O[C@@H]9[C@H](O)[C@@H](COP(=O)(O)O[C@H]%10[C@@H](O)[C@H](n%11ccc(=O)[nH]c%11=O)O[C@@H]%10COP(=O)(O)O[C@@H]%10[C@H](O)[C@@H](COP(=O)(O)O[C@H]%11[C@@H](O)[C@H](n%12cnc%13c(N)ncnc%13%12)O[C@@H]%11COP(=O)(O)O[C@H]%11[C@@H](O)[C@H](n%12ccc(N)nc%12=O)O[C@@H]%11COP(=O)(O)O[C@@H]%11[C@H](O)[C@@H](COP(=O)(O)O[C@H]%12[C@@H](O)[C@H](n%13cnc%14c(=O)[nH]c(N)nc%14%13)O[C@@H]%12COP(=O)(O)O)O[C@H]%11n%11cnc%12c(=O)[nH]c(N)nc%12%11)O[C@H]%10n%10cnc%11c(=O)[nH]c(N)nc%11%10)O[C@H]9n9cnc%10c(=O)[nH]c(N)nc%109)O[C@H]8n8cnc9c(=O)[nH]c(N)nc98)O[C@H]7n7cnc8c(=O)[nH]c(N)nc87)O[C@H]6n6cnc7c(=O)[nH]c(N)nc76)O[C@H]5n5cnc6c(=O)[nH]c(N)nc65)O[C@H]4n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3n3cnc4c(N)ncnc43)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYGVRGONZODKF-APXZPMQHSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(CC(=O)NCCN(CCN)CCN)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(=O)[nH]c5=O)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(N)nc5=O)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(N)nc5=O)O[C@@H]4COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)O[C@@H]5[C@H](O)[C@@H](COP(=O)(O)O[C@H]6[C@@H](O)[C@H](n7ccc(=O)[nH]c7=O)O[C@@H]6COP(=O)(O)O[C@H]6[C@@H](O)[C@H](n7ccc(=O)[nH]c7=O)O[C@@H]6COP(=O)(O)O)O[C@H]5n5cnc6c(=O)[nH]c(N)nc65)O[C@H]4n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3n3cnc4c(=O)[nH]c(N)nc43)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOCNRTQXWMIYGK-JFTCNNOASA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(CC(=O)NCCN(CCN)CCN)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(N)nc5=O)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@@H]5[C@H](O)[C@@H](COP(=O)(O)O[C@H]6[C@@H](O)[C@H](n7ccc(=O)[nH]c7=O)O[C@@H]6COP(=O)(O)O[C@@H]6[C@H](O)[C@@H](COP(=O)(O)O[C@@H]7[C@H](O)[C@@H](COP(=O)(O)O[C@H]8[C@@H](O)[C@H](n9ccc(=O)[nH]c9=O)O[C@@H]8COP(=O)(O)O[C@@H]8[C@H](O)[C@@H](COP(=O)(O)O[C@H]9[C@@H](O)[C@H](n%10ccc(N)nc%10=O)O[C@@H]9COP(=O)(O)O[C@@H]9[C@H](O)[C@@H](COP(=O)(O)O[C@H]%10[C@@H](O)[C@H](n%11ccc(=O)[nH]c%11=O)O[C@@H]%10COP(=O)(O)O[C@@H]%10[C@H](O)[C@@H](COP(=O)(O)O[C@H]%11[C@@H](O)[C@H](n%12cnc%13c(N)ncnc%13%12)O[C@@H]%11COP(=O)(O)O[C@H]%11[C@@H](O)[C@H](n%12ccc(N)nc%12=O)O[C@@H]%11COP(=O)(O)O[C@@H]%11[C@H](O)[C@@H](COP(=O)(O)O[C@H]%12[C@@H](O)[C@H](n%13cnc%14c(=O)[nH]c(N)nc%14%13)O[C@@H]%12COP(=O)(O)O)O[C@H]%11n%11cnc%12c(=O)[nH]c(N)nc%12%11)O[C@H]%10n%10cnc%11c(=O)[nH]c(N)nc%11%10)O[C@H]9n9cnc%10c(=O)[nH]c(N)nc%109)O[C@H]8n8cnc9c(=O)[nH]c(N)nc98)O[C@H]7n7cnc8c(=O)[nH]c(N)nc87)O[C@H]6n6cnc7c(=O)[nH]c(N)nc76)O[C@H]5n5cnc6c(=O)[nH]c(N)nc65)O[C@H]4n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3n3cnc4c(N)ncnc43)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDBNMKIEYFIQU-DONPSMHLSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(=O)[nH]c5=O)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(N)nc5=O)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(N)nc5=O)O[C@@H]4COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6ccc(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)O[C@@H]5[C@H](O)[C@@H](COP(=O)(O)O[C@H]6[C@@H](O)[C@H](n7ccc(=O)[nH]c7=O)O[C@@H]6COP(=O)(O)O[C@H]6[C@@H](O)[C@H](n7ccc(=O)[nH]c7=O)O[C@@H]6COP(=O)(O)O)O[C@H]5n5cnc6c(=O)[nH]c(N)nc65)O[C@H]4n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3n3cnc4c(=O)[nH]c(N)nc43)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDKHHIVKPFLFF-QOMJWDDWSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(N)nc5=O)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@@H]5[C@H](O)[C@@H](COP(=O)(O)O[C@H]6[C@@H](O)[C@H](n7ccc(=O)[nH]c7=O)O[C@@H]6COP(=O)(O)O[C@@H]6[C@H](O)[C@@H](COP(=O)(O)O[C@@H]7[C@H](O)[C@@H](COP(=O)(O)O[C@H]8[C@@H](O)[C@H](n9ccc(=O)[nH]c9=O)O[C@@H]8COP(=O)(O)O[C@@H]8[C@H](O)[C@@H](COP(=O)(O)O[C@H]9[C@@H](O)[C@H](n%10ccc(N)nc%10=O)O[C@@H]9COP(=O)(O)O[C@@H]9[C@H](O)[C@@H](COP(=O)(O)O[C@H]%10[C@@H](O)[C@H](n%11ccc(=O)[nH]c%11=O)O[C@@H]%10COP(=O)(O)O[C@@H]%10[C@H](O)[C@@H](COP(=O)(O)O[C@H]%11[C@@H](O)[C@H](n%12cnc%13c(N)ncnc%13%12)O[C@@H]%11COP(=O)(O)O[C@H]%11[C@@H](O)[C@H](n%12ccc(N)nc%12=O)O[C@@H]%11COP(=O)(O)O[C@@H]%11[C@H](O)[C@@H](COP(=O)(O)O[C@H]%12[C@@H](O)[C@H](n%13cnc%14c(=O)[nH]c(N)nc%14%13)O[C@@H]%12COP(=O)(O)O)O[C@H]%11n%11cnc%12c(=O)[nH]c(N)nc%12%11)O[C@H]%10n%10cnc%11c(=O)[nH]c(N)nc%11%10)O[C@H]9n9cnc%10c(=O)[nH]c(N)nc%109)O[C@H]8n8cnc9c(=O)[nH]c(N)nc98)O[C@H]7n7cnc8c(=O)[nH]c(N)nc87)O[C@H]6n6cnc7c(=O)[nH]c(N)nc76)O[C@H]5n5cnc6c(=O)[nH]c(N)nc65)O[C@H]4n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3n3cnc4c(N)ncnc43)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL542499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKIKCWSGLZAZHD-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc(-c3ccccc3Cl)cc3cc(C)ccc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VICAFNSKRFCBGI-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2nc(-c3ccccc3)cc3ccccc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL544852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJOLVRGAAHJKGM-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N3CCCN(C)CC3)nc(-c3ccccc3C)cc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTSHGJVTZZCSQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(NCCN)nc(-c3ccccc3)cc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL545551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDLCFXROWSVNQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3cc(C)ccc3c(NCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGFEYFQSVUUEW-UHFFFAOYSA-N", "SMILES:C=Cc1ccccc1-c1c(Br)c2cc(C)ccc2c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCQVNTBMCXMFLM-FPMZXNSHSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(-c5nc6ccccc6s5)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"name": "DNA topoisomerase 2-alpha", "xref": ["CHEMBL.TARGET:CHEMBL3400"], "id": "UniProtKB:P41516", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOWUMJIKEPXXAE-YSOPOUTOSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(-c5nc6ccccc6s5)cc3Br)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZPPDPKMAKBOQB-FPMZXNSHSA-N", "SMILES:COc1ccc2nc(-c3ccc(N[C@@H]4c5cc6c(cc5[C@@H](c5cc(OC)c(O)c(OC)c5)[C@H]5C(=O)OC[C@@H]54)OCO6)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJCVDBNHKVZYSA-AOVYYMIUSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(-c5nc6ccccc6s5)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614664", "category": ["biolink:ChemicalEntity"], "name": "PSEUDOHYPERICIN", "xref": ["InChIKey:YXBUQQDFTYOHQI-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(CO)c8c1c2c(c34)c(c65)c78"], "chembl_natural_product": true}
{"name": "Thioredoxin reductase 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5086"], "id": "UniProtKB:Q9Z0J5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHMKAOSIFGJBH-IWVUWWQKSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1643577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBOOBQPRBRDCP-UHTOCBDZSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1643578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPEKMSSLXMZSDT-IBYAKCASSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXMIFGRYXQZQZ-ULOPOQRHSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1643976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APHGZZPEOCCYNO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITTRLTNMFYIYPA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1644296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXZRYFYAYXCES-ZHWRMRGGSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCOCCOCCOc1cc(C2(C(F)(F)F)N=N2)ccc1CO/N=C/[C@@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO"]}
{"name": "Lectin", "xref": ["CHEMBL.TARGET:CHEMBL1649056"], "id": "UniProtKB:P05046", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3847"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1644297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQFPQDJIIUGEX-GKZFZSOCSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCOCCOCCOc1cc(C2(C(F)(F)F)N=N2)ccc1CO/N=C/O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"name": "Lectin", "xref": ["CHEMBL.TARGET:CHEMBL1649057"], "id": "UniProtKB:P83410", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:49817"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1644647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQANCIYTXYUDS-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCOCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1644649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQLFSXIWHNYCFS-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCOCCOCCOCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1644648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRIYUBTJPFPOX-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCOCCOCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVVCDJZVDWVKIV-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1cnc2c(NC3CCCC3)nc(NCc3ccc(C4CCCCC4)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLKXGHXDPHLOX-UHFFFAOYSA-N", "SMILES:CC(C)CNc1nc(NCc2ccc(C3CCCCC3)cc2)nc2c1ncn2CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDIPWZACXRIMB-UHFFFAOYSA-N", "SMILES:CC(C)CCNc1nc(NCc2ccc(C3CCCCC3)cc2)nc2c1ncn2CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCASXKFFIBHBP-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1cnc2c(N3CCOCC3)nc(NC(=O)C3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1649693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFZJJLIMKONHD-WPCHVMELSA-N", "SMILES:C[C@H](CCC(=O)NC1CC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1649694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTMFIKFVXBHDRL-GSUIVHTASA-N", "SMILES:C[C@H](CCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1649696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVSVAQJIFJHIC-XVYDGTNWSA-N", "SMILES:C[C@H](CCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1649695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYVCWIDNNCVUOG-RLEOXEHWSA-N", "SMILES:C[C@H](CCC(=O)NC1CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1649686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYVCWIDNNCVUOG-DPUIKJEASA-N", "SMILES:C[C@H](CCC(=O)NC1CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1649687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVSVAQJIFJHIC-LTWRQENSSA-N", "SMILES:C[C@H](CCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1649689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKUHYRTAURVEQ-QUKDRKDGSA-N", "SMILES:C[C@H](CCC(=O)N1CCOCC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1649712", "category": ["biolink:ChemicalEntity"], "name": "SOLOMONSTEROL A", "xref": ["InChIKey:KXKQQYYOVXMHMX-NZGPCSTLSA-K", "SMILES:C[C@H](CCCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])C[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1649713", "category": ["biolink:ChemicalEntity"], "name": "SOLOMONSTEROL B", "xref": ["InChIKey:RXCJCTQFVNDACR-JETNXUBLSA-K", "SMILES:C[C@H](CCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])C[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1651199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZXTUFIYJLTAR-UHFFFAOYSA-N", "SMILES:C=CCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURYXKJPYBCOQQ-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQKRNTTUZDCHOZ-SFHVURJKSA-N", "SMILES:CC(C)C[C@@H](C(=O)N(C)N(C)C#N)N(C)C(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYFORUBUBBNVQJ-IDTAVKCVSA-N", "SMILES:CCCCCCSc1nc(N)c2nnn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1"]}
{"name": "Adenosine deaminase", "xref": ["CHEMBL.TARGET:CHEMBL2966"], "id": "UniProtKB:P56658", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45627", "category": ["biolink:ChemicalEntity"], "name": "CERULENIN", "xref": ["InChIKey:GVEZIHKRYBHEFX-NQQPLRFYSA-N", "SMILES:C/C=C/C/C=C/CCC(=O)[C@H]1O[C@H]1C(N)=O"], "chembl_natural_product": true}
{"name": "ATP binding cassette transporter Abc1p", "synonym": ["Abc1p"], "xref": ["CHEMBL.TARGET:CHEMBL1667673"], "id": "UniProtKB:Q09GQ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4909"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405862", "category": ["biolink:ChemicalEntity"], "name": "NIGERICIN", "xref": ["InChIKey:DANUORFCFTYTSZ-SJSJOXFOSA-N", "SMILES:CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL256105", "category": ["biolink:ChemicalEntity"], "name": "MONENSIN", "xref": ["InChIKey:GAOZTHIDHYLHMS-KEOBGNEYSA-N", "SMILES:CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)O)O3)O2)O1"], "synonym": ["Monensin", "E714", "Monensin", "Monensina", "67314", "A-3823A", "Monensin", "Monensin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL176049", "category": ["biolink:ChemicalEntity"], "name": "RHODAMINE123", "xref": ["InChIKey:MYFATKRONKHHQL-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402140", "category": ["biolink:ChemicalEntity"], "name": "RHODAMINE 6G HYDROCHLORIDE", "xref": ["InChIKey:VYXSBFYARXAAKO-WTKGSRSZSA-N", "SMILES:CC/N=c1\\cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260287", "category": ["biolink:ChemicalEntity"], "name": "CYTOCHALASIN D", "xref": ["InChIKey:SDZRWUKZFQQKKV-JHADDHBZSA-N", "SMILES:C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1651948", "category": ["biolink:ChemicalEntity"], "name": "MILBEMYCIN ALPHA11", "xref": ["InChIKey:BVWLKDQSGUWWQR-WJDUFONJSA-N", "SMILES:CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C4\\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1651950", "category": ["biolink:ChemicalEntity"], "name": "MILBEMYCIN BETA9", "xref": ["InChIKey:HUGLSMLBRBBTGU-RFEBHRRASA-N", "SMILES:CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C(\\CO)[C@]2(O)[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1651949", "category": ["biolink:ChemicalEntity"], "name": "MILBEMYCIN ALPHA25", "xref": ["InChIKey:JOZFTBFLFFGCEJ-PGWDUKJFSA-N", "SMILES:CO[C@@H]1C(CO)=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C4\\CO[C@H]1[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1651947", "category": ["biolink:ChemicalEntity"], "name": "MILBEMYCIN BETA11", "xref": ["InChIKey:BAYQGUBTKMOTSJ-WZCFKJIISA-N", "SMILES:CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C(\\C)[C@]2(O)[C@H](O)[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1651946", "category": ["biolink:ChemicalEntity"], "name": "MILBEMYCIN ALPHA20", "xref": ["InChIKey:PAUJDBQAEOHNRD-XQFDFWSNSA-N", "SMILES:C/C=C(\\C)C(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C4\\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCAMCDZPALUJIJ-UHFFFAOYSA-N", "SMILES:CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1.O=C(O)C(O)C(O)C(=O)O"]}
{"name": "Calmodulin", "xref": ["CHEMBL.TARGET:CHEMBL1667687"], "id": "UniProtKB:P06787", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44884", "category": ["biolink:ChemicalEntity"], "name": "ETHAMBUTOL", "xref": ["InChIKey:AEUTYOVWOVBAKS-UWVGGRQHSA-N", "SMILES:CC[C@@H](CO)NCCN[C@@H](CC)CO"], "synonym": ["Ethambutol", "Ethambutol", "Ethambutol", "Etambutol", "Ethambutol", "Ethambutol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Probable arabinosyltransferase A", "xref": ["CHEMBL.TARGET:CHEMBL4296329"], "id": "UniProtKB:A0R612", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:246196"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQJBDIZBNGQJDT-ZMJCUMBHSA-N", "SMILES:COc1ccc2c(c1)OCC/C=C\\CCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@H]31)S2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHDXBRHKJBXVOE-PQUVHYSFSA-N", "SMILES:COc1ccc2c(c1)OC/C=C/CCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@H]31)S2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUIHFDXSPYWNF-SSJVAFASSA-N", "SMILES:COc1ccc2c(c1)OCCC/C=C\\CCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@H]31)S2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEWVJWHZWWXGP-FQPMSUGVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGBNIYXSDIDOEQ-UHFFFAOYSA-N", "SMILES:CNCCNc1c2c(c(NCCNC)c3oc(C)cc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVVIAYOUTDNLDT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NCCNC(=N)N)c3c(c(NCCNC(=N)N)c2o1)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZASIAXCPXTISQ-NVXWUHKLSA-N", "SMILES:COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651090", "category": ["biolink:ChemicalEntity"], "name": "AERUGINE", "xref": ["InChIKey:CQCVSXXDUMTFCR-SSDOTTSWSA-N", "SMILES:OC[C@@H]1CSC(c2ccccc2O)=N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1651092", "category": ["biolink:ChemicalEntity"], "name": "PULICATINS G", "xref": ["InChIKey:CMXJVCRUSKHTHR-UHFFFAOYSA-N", "SMILES:NC(=O)C1CSC(c2ccccc2O)=N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1650888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXLSWNPWRYJXGN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3ccc(Br)c4ccccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVGFRMIIXODOEQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFPAQPMKUYAZGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3ccc(Cl)c4ccccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVWTVIOHRIVIZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWNGQMBEVZWOA-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(=O)CCCn3cc(-c4c(-c5cccc(C)c5)oc5cc(O)c(C(=O)O)cc45)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYXSZWVARQVDEB-UHFFFAOYSA-N", "SMILES:O=C(CCn1cc(-c2c(-c3ccccc3)oc3cc(O)c(C(=O)O)cc23)nn1)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCRALCUGDMSCHH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4cccnc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOVJFFVTVUVKRS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCC(=O)Nc3cccc4ccccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTBUVFZYHJZKMG-UHFFFAOYSA-N", "SMILES:O=C(CCCCn1cc(-c2c(-c3ccccc3)oc3cc(O)c(C(=O)O)cc23)nn1)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQIQUWPONEFLM-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4ccc(Cl)c5ccccc45)nn3)c(-c3ccccc3)oc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL36506", "category": ["biolink:ChemicalEntity"], "name": "NOVOBIOCIN", "xref": ["InChIKey:YJQPYGGHQPGBLI-KGSXXDOSSA-N", "SMILES:CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C"], "synonym": ["Novobiocin", "Novobiocin", "Novobiocin", "Novobiocine", "Novobiocina", "Novobiocin", "Cathomycin", "Novobiocin", "Albamycin t", "Novobiocin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"name": "Heat shock protein HSP 90", "xref": ["CHEMBL.TARGET:CHEMBL1667702"], "id": "UniProtKB:P11500", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMVYOEVUBVQVKZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465226", "category": ["biolink:ChemicalEntity"], "name": "GEDUNIN", "xref": ["InChIKey:YJXDGWUNRYLINJ-BHAPSIHVSA-N", "SMILES:CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL301982", "category": ["biolink:ChemicalEntity"], "name": "CELASTROL", "xref": ["InChIKey:KQJSQWZMSAGSHN-JJWQIEBTSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989700", "category": ["biolink:ChemicalEntity"], "name": "COUMERMYCIN", "xref": ["InChIKey:WTIJXIZOODAMJT-WBACWINTSA-N", "SMILES:CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)[nH]8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C"], "synonym": ["Coumamycin", "Coumamycine", "Cumamicina", "Coumermycin", "Notomycin a1", "NSC-107412", "Coumermycin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1652177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDGQNGJEQUXQOK-OQAXWGFHSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(=O)CCCCCCC(=O)Nc4cc5ccc(O[C@H]6OC(C)(C)[C@@H](OC)[C@H](O)[C@@H]6O)cc5oc4=O)c(=O)oc3c2C)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAWXHNSLFJNTM-BUIAKZPTSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(C)=O)c(=O)oc3c2C)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKDIPNANPXMEW-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC(C)=O)c(C)c4oc3=O)ccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIIBGBGDPWRIPK-BVIKNXMNSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(C)=O)c(=O)oc3c2)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWGWUYKYEZYKDX-FESGPSSVSA-N", "SMILES:COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5OC(C)(C)[C@H](OC)[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278315", "category": ["biolink:ChemicalEntity"], "name": "GELDANAMYCIN", "xref": ["InChIKey:QTQAWLPCGQOSGP-KSRBKZBZSA-N", "SMILES:COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O"], "synonym": ["Geldanamycin", "Geldanamycin", "NSC-122750"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1669629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOPZNBUOAQLDPL-RWQFOSOUSA-N", "SMILES:OC[C@H]1O[C@@H](O[C@H]2C=C[C@@H](OCCCCCCCCCCCCS)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O"]}
{"name": "Galectin-4", "xref": ["CHEMBL.TARGET:CHEMBL1671608"], "id": "UniProtKB:P56470", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1669627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSMGEGEXKYQNJ-DISONHOPSA-N", "SMILES:OC[C@H]1O[C@@H](OCCCCCCCCCCCCS)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1668049", "category": ["biolink:ChemicalEntity"], "name": "4-HYDROXYBENZYL 3,5-DIHYDROXYBENZOATE", "xref": ["InChIKey:CKJUKCSCXAHMLO-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccc(O)cc1)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1668053", "category": ["biolink:ChemicalEntity"], "name": "4-HYDROXYBENZYL 2,4,6-DIHYDROXYBENZOATE", "xref": ["InChIKey:JGYVUOSSCFNALC-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccc(O)cc1)c1c(O)cc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1668054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNYXQJNTUHVERY-UHFFFAOYSA-N", "SMILES:O=C(OCc1cccc(O)c1)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1668056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWZUAJZPNDDOHE-UHFFFAOYSA-N", "SMILES:O=C(OCc1cccc(O)c1)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVNGMXASUNRAO-VWLOTQADSA-N", "SMILES:O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1668466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVLKKCJMKWWPQY-CFRASDGPSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O"]}
{"name": "UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit", "xref": ["CHEMBL.TARGET:CHEMBL5955"], "id": "UniProtKB:O15294", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1668467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCJECOTKGFRTM-PVFLNQBWSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CN=[N+]=[N-])O[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWDKGOAVRJBMNS-JXMROGBWSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2OC)cc1"]}
{"name": "NAD(P)H dehydrogenase [quinone] 1", "xref": ["CHEMBL.TARGET:CHEMBL5611"], "id": "UniProtKB:Q64669", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1668773", "category": ["biolink:ChemicalEntity"], "name": "TUBERATOLIDE A", "xref": ["InChIKey:HPYAKDUQYJHSJJ-LEHPZIBWSA-N", "SMILES:CC(=O)CC/C=C(\\C)C[C@@H]1C=C(CCC=C(C)C)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1668774", "category": ["biolink:ChemicalEntity"], "name": "TUBERATOLIDE B", "xref": ["InChIKey:BNWXBVSPPVIYFO-LSJFATALSA-N", "SMILES:CC(C)=CCCC1=C[C@@H](C/C(C)=C/CC[C@@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1668775", "category": ["biolink:ChemicalEntity"], "name": "2'-EPI-TUBERATOLIDE B", "xref": ["InChIKey:BNWXBVSPPVIYFO-URLCLMEBSA-N", "SMILES:CC(C)=CCCC1=C[C@@H](C/C(C)=C/CC[C@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1668776", "category": ["biolink:ChemicalEntity"], "name": "YEZOQUINOLIDE", "xref": ["InChIKey:PRJQMQHHBMRRQA-LDIVQETISA-N", "SMILES:CC(C)=CCCC1=C[C@@H](C/C(C)=C/CC/C(C)=C/CC2=CC(=O)C=C(C)C2=O)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1668777", "category": ["biolink:ChemicalEntity"], "name": "(R)-SARGACHROMENOL", "xref": ["InChIKey:QKXAGRZCXAYBQX-HKRZBUDOSA-N", "SMILES:CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1668778", "category": ["biolink:ChemicalEntity"], "name": "(S)-SARGACHROMENOL", "xref": ["InChIKey:QKXAGRZCXAYBQX-UATDQJHISA-N", "SMILES:CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1669041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHZXQMIVPBAHBH-UHFFFAOYSA-N", "SMILES:O=C1Sc2ccc(OS(=O)(=O)Nc3ccc(O)c4ccccc34)c3cccc1c23"]}
{"name": "Cytochrome b-c1 complex subunit 7", "xref": ["CHEMBL.TARGET:CHEMBL1671612"], "id": "UniProtKB:P14927", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1669042", "category": ["biolink:ChemicalEntity"], "name": "TERPESTACIN", "xref": ["InChIKey:UTGBBPSEQPITLF-IXRUDUFRSA-N", "SMILES:C/C1=C\\C[C@]2(C)C(=O)C(O)=C([C@H](C)CO)[C@H]2C/C=C(\\C)[C@@H](O)CC/C(C)=C/CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1672291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOSUGCLQHJKTCK-NDENLUEZSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)cc2)n2c(s/c(=C\\c3ccc(OCC(=O)O)cc3)c2=O)=N1"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 7", "xref": ["CHEMBL.TARGET:CHEMBL2219"], "id": "UniProtKB:P35236", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSQDEOJNULNBPG-UNOMPAQXSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(OCC(=O)O)cc3)c(=O)n2C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672332", "category": ["biolink:ChemicalEntity"], "name": "BUTYRYLHYDROXAMIC ACID", "xref": ["InChIKey:CCBCHURBDSNSTJ-UHFFFAOYSA-N", "SMILES:CCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55895", "category": ["biolink:ChemicalEntity"], "name": "PHENYLBUTYRYLHYDROXAMIC ACID", "xref": ["InChIKey:UPHXPXYRKPCXHK-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186311", "category": ["biolink:ChemicalEntity"], "name": "VALPROPYLHYDROXAMIC ACID", "xref": ["InChIKey:ROJGIRXXBBBMPL-UHFFFAOYSA-N", "SMILES:CCCC(CCC)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1469", "category": ["biolink:ChemicalEntity"], "name": "PHENYLBUTANOIC ACID", "xref": ["InChIKey:OBKXEAXTFZPCHS-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1ccccc1"], "synonym": ["Phenylbutanoic acid"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1672101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOATEIGKYHDTK-UHFFFAOYSA-M", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(Oc3ccccc3)c2)c2c1C(=O)c1ccccc1C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFFDFASGIBGIP-CVEARBPZSA-N", "SMILES:N#Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376756", "category": ["biolink:ChemicalEntity"], "name": "KISSPEPTIN-10", "xref": ["InChIKey:RITKWYDZSSQNJI-INXYWQKQSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "synonym": ["Human metastin 45-54", "Kisspeptin-10", "Kisspeptin-10 (human)"]}
{"name": "Neuropeptide FF receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5952"], "id": "UniProtKB:Q9Y5X5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDUUNOZBMGMHZ-CUPIEXAXSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXILFLCUDLSQBZ-WHECAKDPSA-N", "SMILES:CC(C)C[C@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"name": "Neuropeptide FF receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5951"], "id": "UniProtKB:Q9GZQ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDTPGANIPBKTNU-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"name": "QacEdelta1 SMR family efflux pump", "synonym": ["Multidrug efflux SMR transporter"], "xref": ["CHEMBL.TARGET:CHEMBL1681612"], "id": "UniProtKB:Q2FD83", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:470"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284328", "category": ["biolink:ChemicalEntity"], "name": "HOMIDIUM BROMIDE", "xref": ["InChIKey:ZMMJGEGLRURXTF-UHFFFAOYSA-N", "SMILES:CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-]"], "synonym": ["Homidium bromide", "Bromure d'homidium", "Bromuro de homidio", "Dromilac", "NSC-268986"], "chembl_natural_product": true}
{"name": "Multidrug resistance protein MdtK", "xref": ["CHEMBL.TARGET:CHEMBL1681613"], "id": "UniProtKB:P37340", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Accessory gene regulator protein A", "xref": ["CHEMBL.TARGET:CHEMBL1681616"], "id": "UniProtKB:P0A0I7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1753", "category": ["biolink:ChemicalEntity"], "name": "CLINDAMYCIN", "xref": ["InChIKey:KDLRVYVGXIQJDK-AWPVFWJPSA-N", "SMILES:CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1"], "synonym": ["Clindamycin", "Clindamycin", "Clindamycin", "Clindamycin", "Clindamycine", "Clindamicina", "Clindamycin", "7(s)-chloro-7-deoxylincomycin", "Chlorodeoxylincomycin", "Chlorolincomycin", "Clindamycin", "U-21,251", "U-21251", "Clindamycin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1672879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQWRMKJKXUSGX-WVGZGXIBSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(\\COC(=O)CCCCCCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCAUJMAZTMEQNJ-MUKZRYNNSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCCNC(=O)C1CCCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)C1)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULKEAXABKTCNW-ZHBNBOMXSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)C1CCCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFSXLZKAQABBX-NDEFNVGGSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(C)C)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGLZPYNPRUPEI-ANDMFCMUSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVEBILRIZNMCJN-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1"]}
{"name": "Cyclic nucleotide specific phosphodiesterase", "synonym": ["Phosphodiesterase"], "xref": ["CHEMBL.TARGET:CHEMBL1681621"], "id": "UniProtKB:Q53I59", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5693"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYWVVOVITPAKPU-UHFFFAOYSA-N", "SMILES:CCCCC(=O)c1ccc(OC2CCOC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRVGSBPYCLGAKU-UHFFFAOYSA-N", "SMILES:CCCCC(=O)c1ccc(OC2CCOCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHDDCAWVDPQOFB-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1ccc(OC(F)F)c(OC2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426367", "category": ["biolink:ChemicalEntity"], "name": "EBURICOL", "xref": ["InChIKey:KBHVSNYZPRMDBJ-PCBLTFNCSA-N", "SMILES:C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](C)C(C)(C)C1CC3)C(C)C"], "chembl_natural_product": true}
{"name": "14-alpha sterol demethylase", "synonym": ["sterol 14alpha-demethylase"], "xref": ["CHEMBL.TARGET:CHEMBL1681624"], "id": "UniProtKB:Q96W81", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:746128"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1493884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULYZYNTDPUEKK-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)sc2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCVHWWHHMMJPFY-UHFFFAOYSA-N", "SMILES:Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(N)=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENRAXOOXGRBLI-UHFFFAOYSA-N", "SMILES:Cc1sc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACKRRKSNOOISSG-VPENINKCSA-N", "SMILES:C[C@]12OC[C@H](O)[C@@]1(O)O[B-](O)(O)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1672173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSOGEPNWGNVNDV-MERQFXBCSA-N", "SMILES:CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nccc(O)c1O.Cl"]}
{"name": "Tyrosine 3-monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL2462"], "id": "UniProtKB:P04177", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNUJDCYLFAYAPY-LMOVPXPDSA-N", "SMILES:Cl.O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1nccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAOHQRILGDUSGO-UQKRIMTDSA-N", "SMILES:CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nccc(O)c1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1361379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQARUVRGOHJYJX-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1433409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADVNIXIJJUZLHD-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1398519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWIKZBJHXXJBGT-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDAMHYIMJXOLPS-BEXYWKQTSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/C1CC(C)(C)N([O])C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGUOFUGUHCGFP-PMERELPUSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C(=O)NC1CC(C)(C)N([O])C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZUHDKKQQZPOGX-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3nc(C(=O)O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJOQLBAMYTRQQ-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3cc(C(=O)O)ncc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUOXXRMLFZBSTB-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(C(=O)O)cccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHWKBLYJPQGFLA-YDAXCOIMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(-c2ccc(C(N)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMEKYOKPXWRIOH-YDAXCOIMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(-c2ccc(C(N)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1681824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXNGCNKHRPGFE-YDAXCOIMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)NCc2ccccc2)cc(-c2ccc(C(N)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1682208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGOVJXGOUSTAU-DHUJRADRSA-N", "SMILES:COCC(=O)N[C@H]1Cc2cc3c(c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O)OCOC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1682209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSMBSQHYONEJF-UMSFTDKQSA-N", "SMILES:COCC(=O)N[C@H]1Cc2ccc(OC)c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDNLZBUHWINMF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)NCCO)c1"]}
{"name": "Transcription factor GATA-4", "xref": ["CHEMBL.TARGET:CHEMBL1687679"], "id": "UniProtKB:P43694", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDIWFNIJGTANY-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)c(C(=O)O)c(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235764", "category": ["biolink:ChemicalEntity"], "name": "RIBAVIRIN MONOPHOSPHATE", "xref": ["InChIKey:SDWIOXKHTFOULX-AFCXAGJDSA-N", "SMILES:NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXIGMHUBZXMCIU-UHFFFAOYSA-N", "SMILES:O=C(O)CC(Cc1ccc2c(c1)OCO2)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBLUSCRTUNCVIR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3c(c4ccccc24)C(=O)c2ccccc2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZLOSYURWSUKQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc3c(c4ccccc24)C(=O)c2ccccc2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZQVDMATRWQNJM-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2nc3c(c4ccccc24)C(=O)c2ccccc2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZXWZQNODGILD-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(N3CCNCC3)c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSARKGHPCBNKQ-UHFFFAOYSA-N", "SMILES:CCCCCCC1(O)c2ccccc2-c2nc(N3CCN(C)CC3)c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUSJEVBLZKLQKF-UHFFFAOYSA-N", "SMILES:NCCNc1nc2c(c3ccccc13)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJIBMYUTHCFYRU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3c(c4ccccc24)Cc2ccccc2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBKFJMNRIPKFKP-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Cc1c-2nc(N2CCOCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDJFFNCNRNVGD-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc3c(c4ccccc24)Cc2ccccc2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGINRXAVGTBEG-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2nc3c(c4ccccc24)Cc2ccccc2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQHCJZGCNTRJY-UHFFFAOYSA-N", "SMILES:CCCCNc1nc2c(c3ccccc13)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEALXJWGMGRUCX-GFJXEVPCSA-N", "SMILES:CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CCC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARIUIGWOURYMLV-GFJXEVPCSA-N", "SMILES:CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CCC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPDGUZXIMYCKW-FDYHWXHSSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](n2cc(-c3ccccc3)nn2)[C@H](O)[C@@H]1O"]}
{"name": "NADP-dependent malic enzyme", "xref": ["CHEMBL.TARGET:CHEMBL1687685"], "id": "UniProtKB:P76558", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKSDLIPBAPRDGN-ZYUZMQFOSA-N", "SMILES:CC(=O)NCc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMRPJYQYAECAR-FDYHWXHSSA-N", "SMILES:Nc1ccccc1-c1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBIGPYSTPVRGS-FNCVBFRFSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](n2cc(CCO)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYQUIMQZPXKEPP-QBPKDAKJSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](n2cc(-c3cccc4ccccc34)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANLBIDLBQDOFNU-RGCMKSIDSA-N", "SMILES:O=C(NCc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)nn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWSIHAQHIYXBY-FDYHWXHSSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](n2cc(-c3ccccc3F)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOCMGAXOSZTWIH-AAVRWANBSA-N", "SMILES:Cc1ccccc1-c1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFFCSCHHNTMDN-FDYHWXHSSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](n2cc(-c3ccccc3C(F)(F)F)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMMMWLGEXQOAF-FDYHWXHSSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPNPQMHYLBSIK-AAVRWANBSA-N", "SMILES:COc1ccc(-c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLAANGOZNKZQG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXYMAUJXUPLBX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(CN2CCc3cc(Cl)ccc3C2)c2ccccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWUQKVIZMAAPL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(CN2CCc3ccccc3C2c2ccncc2)c2ccccn2c1=O"]}
{"name": "Neutral alpha-glucosidase AB", "xref": ["CHEMBL.TARGET:CHEMBL2519"], "id": "UniProtKB:Q14697", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFONFULQJBIUSQ-BRKQVYTGSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(Cl)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1687979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPXTRXFUMGQLK-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1087218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVQCEHRAJVTIU-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c(NCc2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VONBBGSUHPATAK-UHFFFAOYSA-N", "SMILES:c1cnc(NCc2ccc3ncccc3c2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1667935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJMHNYQTKWNRD-NDQYQSCMSA-N", "SMILES:C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)ncnn32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTPGKAICNBCBPT-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1N1CCN(C(=O)COCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCTZCYFGJAJCU-UHFFFAOYSA-N", "SMILES:CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUCWZKDTWSKUAW-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(C(=O)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRVJXWCLPGNFN-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(C)C)c(OCC2CC2)c1)c1ccc(C(=O)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191881", "category": ["biolink:ChemicalEntity"], "name": "LEUPEPTIN", "xref": ["InChIKey:GDBQQVLCIARPGH-ULQDDVLXSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N"], "chembl_natural_product": true}
{"name": "Cysteine protease falcipain-3", "xref": ["CHEMBL.TARGET:CHEMBL1697661"], "id": "UniProtKB:Q9NAW4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446452", "category": ["biolink:ChemicalEntity"], "name": "ARUNDINE", "xref": ["InChIKey:VFTRKSBEFQDZKX-UHFFFAOYSA-N", "SMILES:c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1"], "synonym": ["1,1-bis(3'-indolyl)methane", "3,3'-diindolylmethane", "3,3-diindolylmethane", "Arundine", "Diindolylmethane"], "chembl_natural_product": true}
{"name": "DNA topoisomerase I", "xref": ["CHEMBL.TARGET:CHEMBL4296305"], "id": "UniProtKB:E9BRC0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5661"]}
{"name": "DNA topoisomerase type IB small subunit", "synonym": ["C-terminal topoisomerase domain family protein"], "xref": ["CHEMBL.TARGET:CHEMBL4296319"], "id": "UniProtKB:E9B7X3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5661"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHPVVFZPXKODBB-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2ccccn2)c2ccccc2)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENCCOZMOOLBIS-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJCCPWITAIICC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1"], "synonym": ["CB7969312"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSPENDGIMQZGB-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2cccc3cccnc23)c2ccccc2)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDHOCKRHQZIHFB-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2cccnc2)c2ccccc2F)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGZSZKIDKLLQE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(-c3ccccc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXFNKGMURVCLI-UHFFFAOYSA-N", "SMILES:O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSTXYLCINUXYQF-FQEVSTJZSA-N", "SMILES:N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(=O)O"], "synonym": ["NSC-123138"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXWHNCQYTYTMP-PKHIMPSTSA-N", "SMILES:CCC(C)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL35482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWCYNPOPKQOKV-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(=O)c3ccccc3o2)c1N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1689131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPPHHVXBDKGSK-HNNXBMFYSA-N", "SMILES:C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2OCC(=O)O)CCN1C(=O)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASALJZFFLCNKM-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(-n2cnc3cc(OC4CCN(C)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F"]}
{"name": "11-beta-hydroxysteroid dehydrogenase type 2", "xref": ["CHEMBL.TARGET:CHEMBL2908"], "id": "UniProtKB:P50233", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEHXXIJUDBTLCW-LVEBQJTPSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)NC(=O)c3ccccc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNKHWCBEODZQNZ-ALMBTRMVSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)NC(=O)c3cccc5ccccc35)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOQMKZDMRPCET-AKEHSPCASA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)NC(=O)c3ccccc3I)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWAVXDKOXTVMR-DEHOOOJBSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCNC(=O)COCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCNMOCUENBFSI-GZHRSXPSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cccnc1N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELXUDRJVVNCHC-XHVFSLISSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQRIDGIUMNLQH-OPTWNZHXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccnc(N)c1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNUICCBUBZJTAN-JLCRNFDHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1nc(N)n[nH]1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMEJJDTYKFPPGG-HNRCJHGASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACASKLJBXLBNKK-TVJXPIDLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC#N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFXUHQZBUORSA-LUVDPRQJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1csc(N)n1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHMCIGNLYTREM-OPTWNZHXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N)nc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAMCSCHBDBIMKA-DQZOQLMQSA-N", "SMILES:CCCCCCCCCCCCN(CCCCCCCCCCCC)[C@H](CCC(=O)NC(CCCC(N)C(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEZPFHNHFUKHJC-RUJXESTQSA-L", "SMILES:CC(C)CCC[C@@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](O)[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3C(=O)C[C@]12C.[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1688113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYNHHCBOWWJDY-YFYSYKJCSA-L", "SMILES:CC(C)CCC[C@@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](O)[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3[C@@H](O)[C@@H](O)[C@]12C.[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1688114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAIQQCDIMZMKJI-BOAXEGSRSA-L", "SMILES:C=C(C)CCC[C@@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@]4(O)[C@H](O)[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1688115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHXBENBXALXLO-ZJSMNQPOSA-L", "SMILES:C=C(C)CCC[C@@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](O)[C@H](OS(=O)(=O)[O-])[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL503384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJGBDRUFQCWHZ-ZFRUGUGRSA-L", "SMILES:C=C(CC[C@@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](O)[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)C.[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1688116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRXJGWJYEWZIQK-AOVVRXEJSA-L", "SMILES:CC(C)/C(=C/CO)CC[C@@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](O)[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1688117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZBGNBYJKGQHA-HKWKHCLNSA-L", "SMILES:C[C@H](CO)[C@@H](C)CC[C@@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](O)[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1688268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLCITVQDFSSVKO-FKCXMHPPSA-N", "SMILES:O=C1c2ccccc2C(OC[C@H]2CC[C@H](CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLYKYGEQQYCBX-QQRJRCLASA-N", "SMILES:O=C1c2ccccc2C(OC[C@@H]2CCCC[C@@H]2CO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMIQNMFNBHEKJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(OCC2(CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191334", "category": ["biolink:ChemicalEntity"], "name": "NUTLIN-3", "xref": ["InChIKey:BDUHCSBCVGXTJM-WUFINQPMSA-N", "SMILES:COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMIQNMFNBHEKJ-AREMUKBSSA-N", "SMILES:O=C1c2ccccc2[C@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWGXYEDZLLHJJV-UHFFFAOYSA-N", "SMILES:CCC1(c2ccc(CSc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPLGLBBZPGQBX-OKSLILNBSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCC1CCCCC1)[C@@H](C)O)C(=O)O"]}
{"name": "Disks large homolog 4", "xref": ["CHEMBL.TARGET:CHEMBL5666"], "id": "UniProtKB:P78352", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBZEYLAAISIDP-OKSLILNBSA-N", "SMILES:CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCC1CCCCC1)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISYTZQXMHYJCD-VFFNRDDGSA-N", "SMILES:CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCc1ccc2ccccc2c1)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVRLOSWHOLIPR-QAJIRISXSA-N", "SMILES:CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCc1ccc(Cl)c(Cl)c1)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVNXVJDQOOZPCM-VFFNRDDGSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCc1ccc2ccccc2c1)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZKLLUMEYWUMT-QAJIRISXSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCc1ccc(Cl)c(Cl)c1)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIVWRHOUTZDJPU-VCSJRTFKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL453904", "category": ["biolink:ChemicalEntity"], "name": "SULFOBROMOPHTHALEIN SODIUM", "xref": ["InChIKey:GHAFORRTMVIXHS-UHFFFAOYSA-L", "SMILES:O=C1OC(c2ccc(O)c(S(=O)(=O)[O-])c2)(c2ccc(O)c(S(=O)(=O)[O-])c2)c2c(Br)c(Br)c(Br)c(Br)c21.[Na+].[Na+]"], "synonym": ["Sulphobromophthalein", "Sulfobromophthalein sodium", "Bromosulfalein", "Bromsulphthalein", "Bromthalein", "Bsp sodium", "Hepartest", "Hepatestabrome", "Hepatosulfalein", "Sodium bromsulphalein", "Sodium bromsulphthalein", "Sulfobromopthalein sodium", "Sulfobromphthalein sodium", "Sulphobromophthalein sodium", "Sulfobromophthalein sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494753", "category": ["biolink:ChemicalEntity"], "name": "ESTRONE SULFURIC ACID", "xref": ["InChIKey:JKKFKPJIXZFSSB-CBZIJGRNSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O"], "synonym": ["Estrone sulphate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1697724", "category": ["biolink:ChemicalEntity"], "name": "ESTRADIOL 17B GLUCURONIDE", "xref": ["InChIKey:MTKNDAQYHASLID-QXYWQCSFSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"], "synonym": ["Estradiol-17B-Glucuronide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL501680", "category": ["biolink:ChemicalEntity"], "name": "BILIRUBIN", "xref": ["InChIKey:BPYKTIZUTYGOLE-IFADSCNNSA-N", "SMILES:C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O"], "synonym": ["Bilirubin", "(4z,15z)-bilirubin ix.alpha.", "Bilirubin", "Bilirubin ix.alpha.", "Bilirubin test", "Cholerythrin", "Hematoidin", "NSC-26685"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743142", "category": ["biolink:ChemicalEntity"], "name": "BILIRUBIN GLUCURONIDE", "xref": ["InChIKey:SCJLWMXOOYZBTH-BTVQFETGSA-N", "SMILES:C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(CCC(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2C)NC1=O"], "chembl_natural_product": true}
{"name": "Solute carrier organic anion transporter family member 1B3", "xref": ["CHEMBL.TARGET:CHEMBL1743121"], "id": "UniProtKB:Q9NPD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL914", "category": ["biolink:ChemicalEntity"], "name": "FEXOFENADINE", "xref": ["InChIKey:RWTNPBWLLIMQHL-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1"], "synonym": ["Fexofenadine", "Fexofenadine", "Fexofenadine", "Fexofenadina", "Fexofenadine", "Fexofenadine", "Telfast", "Fexofenadine"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743144", "category": ["biolink:ChemicalEntity"], "name": "TELMISARTAN GLUCURONIDE", "xref": ["InChIKey:RCOBUBSULFIXAR-QQPFWGBFSA-N", "SMILES:CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463", "category": ["biolink:ChemicalEntity"], "name": "AMINOHIPPURIC ACID", "xref": ["InChIKey:HSMNQINEKMPTIC-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NCC(=O)O)cc1"], "synonym": ["Aminohippuric acid", "P-aminohippuric acid", "Aminohippuric acid", "Aminohippuric acid, p-", "Para-aminohippurate", "NSC-13064"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL528", "category": ["biolink:ChemicalEntity"], "name": "CEFTIZOXIME", "xref": ["InChIKey:NNULBSISHYWZJU-LLKWHZGFSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1"], "synonym": ["Ceftizoxime", "Ceftizoxime", "Ceftizoxime", "Ceftizoxima", "Ceftizoxime", "Ceftizoxime", "Ceftizoxime", "Ceftizoxime"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL302326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBAWAQIRZIWIV-UHFFFAOYSA-N", "SMILES:C[n+]1ccccc1"], "chembl_natural_product": true}
{"name": "Solute carrier family 22 member 2", "xref": ["CHEMBL.TARGET:CHEMBL1743122"], "id": "UniProtKB:O15244", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9324", "category": ["biolink:ChemicalEntity"], "name": "TETRYLAMMONIUM", "xref": ["InChIKey:CBXCPBUEXACCNR-UHFFFAOYSA-N", "SMILES:CC[N+](CC)(CC)CC"], "synonym": ["Tetraethylammonium cation", "Tetraethylammonium ion", "Tetramon", "NSC-102778", "NSC-156315"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1431", "category": ["biolink:ChemicalEntity"], "name": "METFORMIN", "xref": ["InChIKey:XZWYZXLIPXDOLR-UHFFFAOYSA-N", "SMILES:CN(C)C(=N)NC(=N)N"], "synonym": ["Metformin", "Metformin", "Metformin", "Metformine", "Metformina", "Metformin", "Metformin", "Metformin extended release", "LA-6023", "Metformin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL640", "category": ["biolink:ChemicalEntity"], "name": "PROCAINAMIDE", "xref": ["InChIKey:REQCZEXYDRLIBE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(N)cc1"], "synonym": ["Procainamide", "Procainamide", "Procainamida", "Novocainamide", "Procainamide", "Sp 100 (pharmaceutical)", "NSC-27461"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL660", "category": ["biolink:ChemicalEntity"], "name": "AMANTADINE", "xref": ["InChIKey:DKNWSYNQZKUICI-UHFFFAOYSA-N", "SMILES:NC12CC3CC(CC(C3)C1)C2"], "synonym": ["Amantadine", "Amantadine", "Amantadine", "Amantadina", "Amantadine", "Amantadine", "Amantidine", "NSC-341865", "TCMDC-125869"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Solute carrier organic anion transporter family member 1A2", "xref": ["CHEMBL.TARGET:CHEMBL1743123"], "id": "UniProtKB:P46721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259898", "category": ["biolink:ChemicalEntity"], "name": "PRASTERONE SULFURIC ACID", "xref": ["InChIKey:CZWCKYRVOZZJNM-USOAJAOKSA-N", "SMILES:C[C@]12CC[C@H](OS(=O)(=O)O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL222863", "category": ["biolink:ChemicalEntity"], "name": "OUABAIN", "xref": ["InChIKey:LPMXVESGRSUGHW-HBYQJFLCSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O"], "synonym": ["Acocantherin", "Gratus strophanthin", "Ouabain", "Strophantin-g", "NSC-25485"], "chembl_natural_product": true}
{"name": "Solute carrier organic anion transporter family member 2B1", "xref": ["CHEMBL.TARGET:CHEMBL1743124"], "id": "UniProtKB:O94956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224867", "category": ["biolink:ChemicalEntity"], "name": "TAUROCHOLIC ACID", "xref": ["InChIKey:WBWWGRHZICKQGZ-HZAMXZRMSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "synonym": ["Cholaic acid", "Cholic acid taurine conjugate", "N-Choloyltaurine"], "chembl_natural_product": true}
{"name": "Solute carrier family 22 member 1", "xref": ["CHEMBL.TARGET:CHEMBL5685"], "id": "UniProtKB:O15245", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175737", "category": ["biolink:ChemicalEntity"], "name": "GLYCYLSARCOSINE", "xref": ["InChIKey:VYAMLSCELQQRAE-UHFFFAOYSA-N", "SMILES:CN(CC(=O)O)C(=O)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578", "category": ["biolink:ChemicalEntity"], "name": "ENALAPRIL", "xref": ["InChIKey:GBXSMTUPTTWBMN-XIRDDKMYSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O"], "synonym": ["Enalapril", "Enalapril", "Enalapril", "Enalapril", "Enalapril", "Lexxel", "Olinapril", "Vaseretic", "C09AA02"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1349", "category": ["biolink:ChemicalEntity"], "name": "VALACYCLOVIR", "xref": ["InChIKey:HDOVUKNUBWVHOX-QMMMGPOBSA-N", "SMILES:CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21"], "synonym": ["Valaciclovir", "Valaciclovir", "Valaciclovir", "Valaciclovir", "Valacyclovir", "Valaciclovir", "Valacv", "Valacyclovir"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1727", "category": ["biolink:ChemicalEntity"], "name": "CEPHALEXIN ANHYDROUS", "xref": ["InChIKey:ZAIPMKNFIOOWCQ-UEKVPHQBSA-N", "SMILES:CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1"], "synonym": ["Cefalexin", "Cefalexine", "Cefalexina", "Alsporin", "Anhydrous cephalexin", "Carnosporin", "Cefadros", "Cefaleksin", "Cefalexin anhydrous", "Cephalexin anhydrous", "Cephamasten", "Durantel", "Efalexin", "Felexin", "Garasin", "Iwalexin", "Kefloridina", "Lilly-66873", "Mamalexin", "Oracocin", "Pyassan", "S-6437", "Sinthecillin", "Taicelexin", "Uphalexin", "NSC-758162"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL29292", "category": ["biolink:ChemicalEntity"], "name": "UBENIMEX", "xref": ["InChIKey:VGGGPCQERPFHOB-RDBSUJKOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O"], "synonym": ["Ubenimex", "(-)-bestatin", "Bestatin", "Ubenimex", "NK-421", "NSC-265489"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL601", "category": ["biolink:ChemicalEntity"], "name": "AMINOLEVULINIC ACID", "xref": ["InChIKey:ZGXJTSGNIOSYLO-UHFFFAOYSA-N", "SMILES:NCC(=O)CCC(=O)O"], "synonym": ["Aminolevulinic acid", ".delta.-aminolevulinic acid", "Aminolevulinic acid"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Solute carrier family 15 member 2", "xref": ["CHEMBL.TARGET:CHEMBL1743125"], "id": "UniProtKB:Q16348", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Multidrug and toxin extrusion protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1743126"], "id": "UniProtKB:Q96FL8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Multidrug and toxin extrusion protein 2", "xref": ["CHEMBL.TARGET:CHEMBL1743127"], "id": "UniProtKB:Q86VL8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL841", "category": ["biolink:ChemicalEntity"], "name": "LOPERAMIDE", "xref": ["InChIKey:RDOIQAHITMMDAJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1"], "synonym": ["Loperamide", "Loperamide", "Loperamide", "Loperamida", "Loperamide", "Loperamide", "Loperamide"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL481", "category": ["biolink:ChemicalEntity"], "name": "IRINOTECAN", "xref": ["InChIKey:UWKQSNNFCGGAFS-XIFFEERXSA-N", "SMILES:CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"], "synonym": ["Irinotecan", "Irinotecan", "Irinotecan", "Irinotecan", "Biotecan", "Irinophore c", "Irinotecan", "NSC-728073"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL443728", "category": ["biolink:ChemicalEntity"], "name": "SODIUM TAUROCHOLATE", "xref": ["InChIKey:JAJWGJBVLPIOOH-IZYKLYLVSA-M", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRCRLNOGKXTCN-PUAAHTLNSA-N", "SMILES:CCc1c2c(nc3ccc(OC[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"name": "ATP-binding cassette sub-family C member 4", "xref": ["CHEMBL.TARGET:CHEMBL1743128"], "id": "UniProtKB:O15439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316966", "category": ["biolink:ChemicalEntity"], "name": "CYCLIC ADENOSINE MONOPHOSPHATE", "xref": ["InChIKey:IVOMOUWHDPKRLL-KQYNXXCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL395336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOOGRGPOEVQQDX-UUOKFMHZSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL503481", "category": ["biolink:ChemicalEntity"], "name": "PHOSPHATIDYLCHOLINE", "xref": ["InChIKey:ZZWQHNRGJQENEP-KXQOOQHDSA-N", "SMILES:CCCCCCCCCCCCCCSCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CSCCCCCCCCCCCCCC"], "synonym": ["Phosphatidylcholine", "Phospholipids egg", "Phosphatidylcholine"]}
{"name": "Phosphatidylcholine translocator ABCB4", "xref": ["CHEMBL.TARGET:CHEMBL1743129"], "id": "UniProtKB:P21439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1000", "category": ["biolink:ChemicalEntity"], "name": "CETIRIZINE", "xref": ["InChIKey:ZKLPARSLTMPFCP-UHFFFAOYSA-N", "SMILES:O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1"], "synonym": ["Cetirizine", "Cetirizine", "Cetirizine", "Cetirizina", "Cetirizine", "Cetiderm", "Cetirizine", "AC-170"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL163238", "category": ["biolink:ChemicalEntity"], "name": "PILSICAINIDE", "xref": ["InChIKey:BCQTVJKBTWGHCX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2"], "synonym": ["Pilsicainide", "Pilsicainida"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL451532", "category": ["biolink:ChemicalEntity"], "name": "NARINGIN", "xref": ["InChIKey:DFPMSGMNTNDNHN-ZPHOTFPESA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL170", "category": ["biolink:ChemicalEntity"], "name": "QUININE", "xref": ["InChIKey:LOUPRKONTZGTKE-WZBLMQSHSA-N", "SMILES:C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12"], "synonym": ["Quinine", "(8s,9r)-6'-methoxycinchonan-9-ol", "Chininum purum", "Quinine", "Rezquin", "NSC-192949", "WR297608"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL80548", "category": ["biolink:ChemicalEntity"], "name": "GLYCYL PROLINE", "xref": ["InChIKey:KZNQNBZMBZJQJO-YFKPBYRVSA-N", "SMILES:NCC(=O)N1CCC[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL331378", "category": ["biolink:ChemicalEntity"], "name": "ZOFENOPRIL", "xref": ["InChIKey:IAIDUHCBNLFXEF-MNEFBYGVSA-N", "SMILES:C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O"], "synonym": ["Zofenopril", "Zofenopril", "Zofenopril", "Zofenil", "Zofenopril"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3039598", "category": ["biolink:ChemicalEntity"], "name": "FOSINOPRIL", "xref": ["InChIKey:BIDNLKIUORFRQP-XYGFDPSESA-N", "SMILES:CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C"], "synonym": ["Fosinopril", "Fosinopril", "Fosinopril", "Fosinopril", "Fosenopril", "Fosinopril", "C09AA09"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL301265", "category": ["biolink:ChemicalEntity"], "name": "PRAMIPEXOLE", "xref": ["InChIKey:FASDKYOPVNHBLU-ZETCQYMHSA-N", "SMILES:CCCN[C@H]1CCc2nc(N)sc2C1"], "synonym": ["Pramipexole", "Pramipexole", "Pramipexole", "Pramipexole", "Pramipexol", "Pramipexole", "Ctc-501", "Pramipexole", "NSC-760426", "SUD-919CL2Y", "SUD919CL2Y", "U-98528E", "Neliprax", "Pipexus", "Pramipexole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL410316", "category": ["biolink:ChemicalEntity"], "name": "FUMITREMORGIN", "xref": ["InChIKey:DBEYVIGIPJSTOR-FHWLQOOXSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@H]1C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGZFRITSMYKRH-QAGGRKNESA-N", "SMILES:C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743213", "category": ["biolink:ChemicalEntity"], "name": "BENZO[G]CHRYSENE DIOL EPOXIDE ", "xref": ["InChIKey:GZHHSQMUVHHNOY-UHFFFAOYSA-N", "SMILES:OC1c2ccc3c4ccccc4c4ccccc4c3c2C2OC2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743211", "category": ["biolink:ChemicalEntity"], "name": "BENZO[A]PYRENE DIOL EPOXIDE ", "xref": ["InChIKey:DQEPMTIXHXSFOR-UHFFFAOYSA-N", "SMILES:OC1c2cc3ccc4cccc5ccc(c2C2OC2C1O)c3c45"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743216", "category": ["biolink:ChemicalEntity"], "name": "DIBENZ[A,H]ANTHRACENE DIOL EPOXIDE ", "xref": ["InChIKey:LBOOERJKINPNNR-UHFFFAOYSA-N", "SMILES:OC1c2c(ccc3cc4c(ccc5ccccc54)cc23)C2OC2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743217", "category": ["biolink:ChemicalEntity"], "name": "DIBENZO[A,L]PYRENE DIOL EPOXIDE ", "xref": ["InChIKey:WVRJTJXJEXHJBK-UHFFFAOYSA-N", "SMILES:OC1c2c(cc3ccc4cccc5c6ccccc6c2c3c45)C2OC2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743212", "category": ["biolink:ChemicalEntity"], "name": "BENZO[C]PHENANTHRENE DIOL EPOXIDE ", "xref": ["InChIKey:QGMAOLZIDYVIDK-UHFFFAOYSA-N", "SMILES:OC1c2ccc3ccc4ccccc4c3c2C2OC2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213271", "category": ["biolink:ChemicalEntity"], "name": "2-AMINO-1-METHYL-6- PHENYLIMIDAZO[4,5- B]PYRIDINE", "xref": ["InChIKey:UQVKZNNCIHJZLS-UHFFFAOYSA-N", "SMILES:Cn1c(N)nc2ncc(-c3ccccc3)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1518369", "category": ["biolink:ChemicalEntity"], "name": "CUMENE HYDROPEROXIDE", "xref": ["InChIKey:YQHLDYVWEZKEOX-UHFFFAOYSA-N", "SMILES:CC(C)(OO)c1ccccc1"], "chembl_natural_product": true}
{"name": "Glutathione S-transferase A2", "xref": ["CHEMBL.TARGET:CHEMBL2241"], "id": "UniProtKB:P09210", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGHBXJSNZCFXNK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Cl)c2nonc12"]}
{"name": "Glutathione S-transferase A3", "xref": ["CHEMBL.TARGET:CHEMBL4866"], "id": "UniProtKB:Q16772", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNRHZPCIEGLWGK-LEKSSAKUSA-N", "SMILES:CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL60020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQAJMALOOLNRLN-GORDUTHDSA-N", "SMILES:C/C=C/C(=O)OCC1=CCCCC1=O"]}
{"name": "Glutathione S-transferase A4", "xref": ["CHEMBL.TARGET:CHEMBL4933"], "id": "UniProtKB:O15217", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDQZDHGXJUBNIK-SOFGYWHQSA-N", "SMILES:CCCCCCC(O)/C=C/C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292687", "category": ["biolink:ChemicalEntity"], "name": "DINITROCHLOROBENZENE", "xref": ["InChIKey:VYZAHLCBVHPDDF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1"], "synonym": ["1-chloro-2,4-dinitrobenzene", "1-chloro-2,4-dinitrobenzene", "Dinitrochlorobenzene", "NSC-6292"], "chembl_natural_product": true}
{"name": "Glutathione S-transferase kappa 1", "xref": ["CHEMBL.TARGET:CHEMBL4491"], "id": "UniProtKB:Q9Y2Q3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1606580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFWYTORDSFIVKP-VAEKSGALSA-N", "SMILES:CCCCC[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O)OO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPVTYBWOACIHU-GQOOYULLSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\CCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73639", "category": ["biolink:ChemicalEntity"], "name": "BUTENONE", "xref": ["InChIKey:BWHOZHOGCMHOBV-BQYQJAHWSA-N", "SMILES:CC(=O)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"name": "Glutathione S-transferase Mu 1", "xref": ["CHEMBL.TARGET:CHEMBL2081"], "id": "UniProtKB:P09488", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTYXJLOWLVCMU-UHFFFAOYSA-N", "SMILES:OC1c2ccc3c(ccc4ccccc43)c2C2OC2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARCJQKUWGAZPFX-ZIAGYGMSSA-N", "SMILES:c1ccc([C@H]2O[C@@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1605493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMVMTVKBNGEAK-UHFFFAOYSA-N", "SMILES:c1ccc(C2CO2)cc1"], "chembl_natural_product": true}
{"name": "Glutathione S-transferase Mu 2", "xref": ["CHEMBL.TARGET:CHEMBL4589"], "id": "UniProtKB:P28161", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL167468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBYINQTYWZXLH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743210", "category": ["biolink:ChemicalEntity"], "name": "AMINOCHROME", "xref": ["InChIKey:XDEURYRPQDIBSL-UHFFFAOYSA-N", "SMILES:O=C1C=C2CCNC2=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMIDUVKSGCHAU-UHFFFAOYSA-N", "SMILES:NC(CC1=CC(=O)C(=O)C=C1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBNHAJFJUQSRA-KOOCKTTBSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1C2CC(OO2)[C@@H]1C/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"name": "Glutathione S-transferase Mu 3", "xref": ["CHEMBL.TARGET:CHEMBL2242"], "id": "UniProtKB:P21266", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutathione S-transferase Mu 4", "xref": ["CHEMBL.TARGET:CHEMBL2100"], "id": "UniProtKB:Q03013", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutathione S-transferase Mu 5", "xref": ["CHEMBL.TARGET:CHEMBL2819"], "id": "UniProtKB:P46439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743208", "category": ["biolink:ChemicalEntity"], "name": "MONOMETHYLARSONIC ACID", "xref": ["InChIKey:QYPPRTNMGCREIM-UHFFFAOYSA-N", "SMILES:C[As](=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL174035", "category": ["biolink:ChemicalEntity"], "name": "DEHYDROASCORBIC ACID", "xref": ["InChIKey:SBJKKFFYIZUCET-UHFFFAOYSA-N", "SMILES:O=C1OC(C(O)CO)C(=O)C1=O"], "chembl_natural_product": true}
{"name": "Glutathione S-transferase omega-2", "xref": ["CHEMBL.TARGET:CHEMBL2161"], "id": "UniProtKB:Q9H4Y5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutathione S-transferase theta-1", "xref": ["CHEMBL.TARGET:CHEMBL2141"], "id": "UniProtKB:P30711", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1299388", "category": ["biolink:ChemicalEntity"], "name": "BUTADIENE EPOXIDE", "xref": ["InChIKey:GXBYFVGCMPJVJX-UHFFFAOYSA-N", "SMILES:C=CC1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45967", "category": ["biolink:ChemicalEntity"], "name": "METHYLENE CHLORIDE", "xref": ["InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N", "SMILES:ClCCl"], "synonym": ["Methylene chloride", "Methylene chloride", "NSC-406122"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL33775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPIGOBKNDYAZTP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(OCC2CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743219", "category": ["biolink:ChemicalEntity"], "name": "OXIRANE", "xref": ["InChIKey:IAYPIBMASNFSPL-UHFFFAOYSA-N", "SMILES:C1CO1"], "chembl_natural_product": true}
{"name": "Glutathione S-transferase theta-2", "xref": ["CHEMBL.TARGET:CHEMBL2142"], "id": "UniProtKB:P0CG29", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1205554", "category": ["biolink:ChemicalEntity"], "name": "MENAPHTHYL SULFONATE", "xref": ["InChIKey:IHYQMTYKGRHILX-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13960", "category": ["biolink:ChemicalEntity"], "name": "DICHLOROACETIC ACID", "xref": ["InChIKey:JXTHNDFMNIQAHM-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cl)Cl"], "synonym": ["Dichloroacetic acid", "Bichloracetic acid", "Bichloroacetic acid", "Dichloracetic acid", "Dichlorethanoic acid", "Dichloroacetate", "Dichloroacetic acid", "Dichloroethanoic acid", "NSC-2654"], "chembl_natural_product": true}
{"name": "Maleylacetoacetate isomerase", "xref": ["CHEMBL.TARGET:CHEMBL4949"], "id": "UniProtKB:O43708", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509273", "category": ["biolink:ChemicalEntity"], "name": "FLUOROACETATE", "xref": ["InChIKey:QEWYKACRFQMRMB-UHFFFAOYSA-N", "SMILES:O=C(O)CF"], "synonym": ["2-fluoroacetic acid", "Fluoroacetate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWAYYRQGQZKCR-UHFFFAOYSA-N", "SMILES:CC(Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743220", "category": ["biolink:ChemicalEntity"], "name": "MALEYLACETOACETATE", "xref": ["InChIKey:GACSIVHAIFQKTC-UPHRSURJSA-N", "SMILES:O=C(O)/C=C\\C(=O)CC(=O)CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL69439", "category": ["biolink:ChemicalEntity"], "name": "LEUKOTRIENE A4", "xref": ["InChIKey:UFPQIRYSPUYQHK-WAQVJNLQSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@@H]1O[C@H]1CCCC(=O)O"], "chembl_natural_product": true}
{"name": "Leukotriene C4 synthase", "xref": ["CHEMBL.TARGET:CHEMBL1743183"], "id": "UniProtKB:Q16873", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Microsomal glutathione S-transferase 1", "xref": ["CHEMBL.TARGET:CHEMBL1743184"], "id": "UniProtKB:P10620", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389950", "category": ["biolink:ChemicalEntity"], "name": "HEXACHLOROBUTADIENE", "xref": ["InChIKey:RWNKSTSCBHKHTB-UHFFFAOYSA-N", "SMILES:ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl"], "chembl_natural_product": true}
{"name": "Microsomal glutathione S-transferase 2", "xref": ["CHEMBL.TARGET:CHEMBL1743185"], "id": "UniProtKB:Q99735", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNUUNUQHXIOFDA-JGKLHWIESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\[C@H](CCCC(=O)O)OO"], "chembl_natural_product": true}
{"name": "Glutathione S-transferase 3, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL1743186"], "id": "UniProtKB:O14880", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL164813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGIJOOYOSFUGPC-JGKLHWIESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\[C@@H](O)CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1623", "category": ["biolink:ChemicalEntity"], "name": "MECLIZINE", "xref": ["InChIKey:OCJYIGYOJCODJL-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1"], "synonym": ["Meclozine", "Meclozine", "Meclozina", "Meclizine", "Meclizine", "Meclozine", "NSC-169189"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBJJCOKGLUQIZ-HQKKAZOISA-N", "SMILES:CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1400945", "category": ["biolink:ChemicalEntity"], "name": "PREGNENOLONE CARBONITRILE ", "xref": ["InChIKey:VSBHRRMYCDQLJF-ZDNYCOCVSA-N", "SMILES:CC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"name": "Nuclear receptor subfamily 1 group I member 2", "xref": ["CHEMBL.TARGET:CHEMBL1743244"], "id": "UniProtKB:O54915", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1224207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKVRCIRHQMSYJX-PYDRXBSSSA-N", "SMILES:COc1cc2c(cc1O)CCN[C@]21CS[C@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H]2[C@H]2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1O)N2C)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTNEXPODAWWFM-GHVJWSGMSA-N", "SMILES:Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccnn2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL892", "category": ["biolink:ChemicalEntity"], "name": "UFIPRAZOLE", "xref": ["InChIKey:XURCIPRUUASYLR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)nc2c1"], "synonym": ["Ufiprazole", "Ufiprazol", "Omeprazole sulfide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1110", "category": ["biolink:ChemicalEntity"], "name": "ALOSETRON", "xref": ["InChIKey:JSWZEAMFRNKZNL-UHFFFAOYSA-N", "SMILES:Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O"], "synonym": ["Alosetron", "Alosetron", "Alosetron", "Alosetron", "Alosetron", "A03AE01"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1175", "category": ["biolink:ChemicalEntity"], "name": "DULOXETINE", "xref": ["InChIKey:ZEUITGRIYCTCEM-KRWDZBQOSA-N", "SMILES:CNCC[C@H](Oc1cccc2ccccc12)c1cccs1"], "synonym": ["Duloxetine", "Duloxetine", "Duloxetine", "Duloxetina", "Duloxetine", "Duloxetine", "LY-248686", "LY248686"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1080002", "category": ["biolink:ChemicalEntity"], "name": "ETHOXYRESORUFIN", "xref": ["InChIKey:CRCWUBLTFGOMDD-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc3ccc(=O)cc-3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL16073", "category": ["biolink:ChemicalEntity"], "name": "PHENACETIN", "xref": ["InChIKey:CPJSUEIXXCENMM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(C)=O)cc1"], "synonym": ["Phenacetin", "Phenacetin", "Phenacetine", "Fenacetina", "Acetamide, n-(4-ethoxyphenol)-", "Fenidina", "Kalmin", "P-acetophenetidide", "Phenacetin melting point standard", "Phenacetinum", "Phenazetin", "NSC-7651"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1079", "category": ["biolink:ChemicalEntity"], "name": "TIZANIDINE", "xref": ["InChIKey:XFYDIVBRZNQMJC-UHFFFAOYSA-N", "SMILES:Clc1ccc2nsnc2c1NC1=NCCN1"], "synonym": ["Tizanidine", "Tizanidine", "Tizanidine", "Tizanidina", "Tizanidine", "Tizanidine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6466", "category": ["biolink:ChemicalEntity"], "name": "COUMARIN", "xref": ["InChIKey:ZYGHJZDHTFUPRJ-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccccc2o1"], "synonym": ["Coumarin", "1,2-benzopyrone", "Cis-o-coumarinic acid lactone", "Coumarin", "Coumarin (prohibited)", "Coumarinic lactone", "Coumarinum", "Cumarin", "Nci-c07103", "O-hydroxycinnamic acid lactone", "Tonka bean camphor", "NSC-8774", "Lodema"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHKMTDVRCWUDX-LBPRGKRZSA-N", "SMILES:CC[C@@]1(c2ccccc2)NC(=O)N(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL607", "category": ["biolink:ChemicalEntity"], "name": "MEPERIDINE", "xref": ["InChIKey:XADCESSVHJOZHK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(c2ccccc2)CCN(C)CC1"], "synonym": ["Pethidine", "Pethidine", "Pethidine", "Petidina", "Meperidine", "Isonipecaine", "Meperidine", "Meperidol", "Pethanol", "Pethidine", "Pethidine dbl", "Pethidineter", "Renaudin", "IDS-NP-001"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTNVJNLEFHBSO-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl"], "synonym": ["TCMDC-123932", "TCMDC-123932"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1477", "category": ["biolink:ChemicalEntity"], "name": "CERIVASTATIN", "xref": ["InChIKey:SEERZIQQUAZTOL-ANMDKAQQSA-N", "SMILES:COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1"], "synonym": ["Cerivastatin", "Cerivastatin", "Cerivastatin", "Cerivastatin", "Cerivastatine", "Cerivastatina", "Lipobay"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL41", "category": ["biolink:ChemicalEntity"], "name": "FLUOXETINE", "xref": ["InChIKey:RTHCYVBBDHJXIQ-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1"], "synonym": ["Fluoxetine", "Fluoxetine", "Fluoxetine", "Fluoxetina", "Fluoxetine", "Fluoxetin ratiopharm", "Fluoxetine", "Fluval", "Symbyax", "NSC-283480", "NSC-758685", "Fluoxetine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL251074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJVWKTKQMONHTI-HNNXBMFYSA-N", "SMILES:CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1502", "category": ["biolink:ChemicalEntity"], "name": "PANTOPRAZOLE", "xref": ["InChIKey:IQPSEEYGBUAQFF-UHFFFAOYSA-N", "SMILES:COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC"], "synonym": ["Pantoprazole", "Pantoprazole", "Pantoprazole", "Pantoprazole", "Pantoprazol", "Pantoprazole", "Altopan", "Pantocid", "Pantoloc", "Pantoprazole", "Pantozol", "Zovanta", "BY 1023", "BY-1023", "BY1023", "NSC-759257", "SK&F 96022", "SK&F-96022", "SK-96022", "SKF-96022", "Protium", "Protium i.v.", "Pantoprazole"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL538", "category": ["biolink:ChemicalEntity"], "name": "ANILINE", "xref": ["InChIKey:PAYRUJLWNCNPSJ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL108766", "category": ["biolink:ChemicalEntity"], "name": "DODECANOATE", "xref": ["InChIKey:POULHZVOKOAJMA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL14130", "category": ["biolink:ChemicalEntity"], "name": "P-NITROPHENOL", "xref": ["InChIKey:BTJIUGUIPKRLHP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(O)cc1"], "synonym": ["SR-1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL641", "category": ["biolink:ChemicalEntity"], "name": "ATOMOXETINE", "xref": ["InChIKey:VHGCDTVCOLNTBX-QGZVFWFLSA-N", "SMILES:CNCC[C@@H](Oc1ccccc1C)c1ccccc1"], "synonym": ["Atomoxetine", "Atomoxetine", "Atomoxetine", "Atomoxetina", "Atomoxetine", "Atomoxetine", "Atomoxetine component of ad-109", "Atomoxetine component of ad-313", "Atomoxetine component of ad109", "Atomoxetine component of ad313"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL160347", "category": ["biolink:ChemicalEntity"], "name": "BROFAROMINE", "xref": ["InChIKey:WZXHSWVDAYOFPE-UHFFFAOYSA-N", "SMILES:COc1cc(Br)c2oc(C3CCNCC3)cc2c1"], "synonym": ["Brofaromine", "Brofaromina", "Consonar"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL415", "category": ["biolink:ChemicalEntity"], "name": "CLOMIPRAMINE", "xref": ["InChIKey:GDLIGKIOYRNHDA-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21"], "synonym": ["Clomipramine", "Clomipramine", "Clomipramine", "Clomipramina", "Clomipramine", "3-chloro-iminodibenzyl", "Anapramine", "Chlorimipramine", "Clomicalm", "Clomipramine", "NSC-169865"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2368925", "category": ["biolink:ChemicalEntity"], "name": "DOLASETRON", "xref": ["InChIKey:UKTAZPQNNNJVKR-KJGYPYNMSA-N", "SMILES:O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12"], "synonym": ["Dolasetron", "Dolasetron", "Dolasetron", "Dolasetron", "Dolasetron"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL11", "category": ["biolink:ChemicalEntity"], "name": "IMIPRAMINE", "xref": ["InChIKey:BCGWQEUPMDMJNV-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1c2ccccc2CCc2ccccc21"], "synonym": ["Imipramine", "Imipramine", "Imipramina", "Imipramine", "Antideprin", "Berkomine", "Cristalia", "Imipramine", "Melipramine", "Sermonil", "NSC-169866", "ORG-2463", "Trimipramine maleate impurity, imipramine-"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1741004", "category": ["biolink:ChemicalEntity"], "name": "(R)-METOPROLOL", "xref": ["InChIKey:IUBSYMUCCVWXPE-CQSZACIVSA-N", "SMILES:COCCc1ccc(OC[C@H](O)CNC(C)C)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL558", "category": ["biolink:ChemicalEntity"], "name": "MEXILETINE", "xref": ["InChIKey:VLPIATFUUWWMKC-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1OCC(C)N"], "synonym": ["Mexiletine", "Mexiletine", "Mexiletine", "Mexiletina", "Mexiletine", "(rs)-mexiletine", "Dl-mexiletine", "Mexiletine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL75880", "category": ["biolink:ChemicalEntity"], "name": "PERHEXILINE", "xref": ["InChIKey:CYXKNKQEMFBLER-UHFFFAOYSA-N", "SMILES:C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1"], "synonym": ["Perhexiline", "Perhexiline", "Perhexiline", "Perhexilina", "Perhexiline", "Perhexiline"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL631", "category": ["biolink:ChemicalEntity"], "name": "PROPAFENONE", "xref": ["InChIKey:JWHAUXFOSRPERK-UHFFFAOYSA-N", "SMILES:CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1"], "synonym": ["Propafenone", "Propafenone", "Propafenone", "Propafenona", "Propafenone", "Propafenon hexal", "Propafenone", "GNF-Pf-4594"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL275742", "category": ["biolink:ChemicalEntity"], "name": "DEXPROPRANOLOL", "xref": ["InChIKey:AQHHHDLHHXJYJD-CQSZACIVSA-N", "SMILES:CC(C)NC[C@@H](O)COc1cccc2ccccc12"], "synonym": ["Dexpropranolol", "Dexpropranolol", "Propranolol, (r)-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1908847", "category": ["biolink:ChemicalEntity"], "name": "SPARTEINE", "xref": ["InChIKey:SLRCCWJSBJZJBV-ZQDZILKHSA-N", "SMILES:C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1"], "synonym": ["Sparteine", "Sparteine", "Esparteina"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1237044", "category": ["biolink:ChemicalEntity"], "name": "TRAMADOL", "xref": ["InChIKey:TVYLLZQTGLZFBW-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCCCC2CN(C)C)c1"], "synonym": ["Tramadol", "Tramadol", "Tramadol", "Tramadol", "Amanda", "Tramadol", "Ultracet", "CG-315E", "E-265", "E265", "ETS-6103", "ETS6103", "U-26255A"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL251694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNVNVHUZROJLTJ-INIZCTEOSA-N", "SMILES:COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL634", "category": ["biolink:ChemicalEntity"], "name": "ALFENTANIL", "xref": ["InChIKey:IDBPHNDTYPBSNI-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1"], "synonym": ["Alfentanil", "Alfentanil", "Alfentanil", "Alfentanilo", "Alfentanil", "Afentanyl", "Alfentanil", "Alfentanyl", "IDS-NA-014", "R-39209-"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL709", "category": ["biolink:ChemicalEntity"], "name": "ALFUZOSIN", "xref": ["InChIKey:WNMJYKCGWZFFKR-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC"], "synonym": ["Alfuzosin", "Alfuzosin", "Alfuzosin", "Alfuzosine", "Alfuzosina", "Alfuzosin", "Alfuzosin", "NSC-760065"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1491", "category": ["biolink:ChemicalEntity"], "name": "AMLODIPINE", "xref": ["InChIKey:HTIQEAQVCYTUBX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl"], "synonym": ["Amlodipine", "Amlodipine", "Amlodipine", "Amlodipine", "Amlodipino", "Amlodipine", "Amlodipine", "AMLODIPINE COMPONENT OF CKD-330", "HGP-0904", "HGP0904", "Astudal 5", "Istin", "Norvas", "Norvasc"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1487", "category": ["biolink:ChemicalEntity"], "name": "ATORVASTATIN", "xref": ["InChIKey:XUKUURHRXDUEBC-KAYWLYCHSA-N", "SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"], "synonym": ["Atorvastatin", "Atorvastatin", "Atorvastatin", "Atorvastatin", "Atorvastatine", "Atorvastatina", "Atorvastatin", "Atorvastatin", "Cardyl", "Lipitor", "Prevencor", "Sortis", "Tahor", "Zarator"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL32479", "category": ["biolink:ChemicalEntity"], "name": "BROTIZOLAM", "xref": ["InChIKey:UMSGKTJDUHERQW-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2"], "synonym": ["Brotizolam", "Brotizolam", "Brotizolam", "Brotizolam", "Brotizolam", "Brotizolam", "Lendormin", "Mederantil", "Nimbisan", "Sintonal", "WE 941", "WE-941", "WE-941-BS", "Lendorm", "Brotizolam"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL87045", "category": ["biolink:ChemicalEntity"], "name": "CIFENLINE", "xref": ["InChIKey:IPOBOOXFSRWSHL-UHFFFAOYSA-N", "SMILES:c1ccc(C2(c3ccccc3)CC2C2=NCCN2)cc1"], "synonym": ["Cibenzoline", "Cibenzoline", "Cibenzoline", "Cibenzolina", "Cibenzoline", "Cifenline", "RO 22-7796", "RO-22-7796", "Cifenline"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743258", "category": ["biolink:ChemicalEntity"], "name": "DIERGOTAMINE", "xref": ["InChIKey:LRSFWJKFODHITK-CEFVCFRBSA-N", "SMILES:CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743263", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROERGOCRYPTINE", "xref": ["InChIKey:PBUNVLRHZGSROC-VTIMJTGVSA-N", "SMILES:CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12"], "synonym": ["Alpha-dihydroergocriptine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1510", "category": ["biolink:ChemicalEntity"], "name": "ELETRIPTAN", "xref": ["InChIKey:PWVXXGRKLHYWKM-LJQANCHMSA-N", "SMILES:CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12"], "synonym": ["Eletriptan", "Eletriptan", "Eletriptan", "Eletriptan", "Eletriptan", "UK-116,044", "UK-116,044-04 FREE BASE", "UK-116044", "UK-116044-04 FREE BASE", "Relpax"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL442", "category": ["biolink:ChemicalEntity"], "name": "ERGOTAMINE", "xref": ["InChIKey:XCGSFFUVFURLIX-VFGNJEKYSA-N", "SMILES:CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21"], "synonym": ["Ergotamine", "Ergotamine", "Ergotamina", "Ergotamine", "Ergotamine", "NSC-95090"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743259", "category": ["biolink:ChemicalEntity"], "name": "ETOPERIDONE", "xref": ["InChIKey:IZBNNCFOBMGTQX-UHFFFAOYSA-N", "SMILES:CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CC"], "synonym": ["Etoperidone", "Etoperidone", "Etoperidona"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1201396", "category": ["biolink:ChemicalEntity"], "name": "FLUTICASONE", "xref": ["InChIKey:MGNNYOODZCAHBA-GQKYHHCASA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCF"], "synonym": ["Fluticasone", "Fluticasone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51149", "category": ["biolink:ChemicalEntity"], "name": "GALLOPAMIL", "xref": ["InChIKey:XQLWNAFCTODIRK-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC"], "synonym": ["Gallopamil", "Gallopamil", "Galopamilo", "Gallopamil", "D-600", "DL-D-600", "LU-30-029"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1107", "category": ["biolink:ChemicalEntity"], "name": "HALOFANTRINE", "xref": ["InChIKey:FOHHNHSLJDZUGQ-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12"], "synonym": ["Halofantrine", "Halofantrine", "Halofantrine", "Halofantrina", "DL-WR-171669"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL66092", "category": ["biolink:ChemicalEntity"], "name": "LAQUINIMOD", "xref": ["InChIKey:GKWPCEFFIHSJOE-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1"], "synonym": ["Laquinimod", "Laquinimod", "Laquinimod", "Laquinimod", "ABR-215062", "ABR-215062 FREE ACID", "TV-5600 FREE ACID"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5483011", "category": ["biolink:ChemicalEntity"], "name": "INDINAVIR", "xref": ["InChIKey:XTYSXGHMTNTKFH-BDEHJDMKSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.O"], "synonym": ["Indinavir", "Indinavir", "Indinavir", "Indinavir", "Indinavir", "Indinavir", "Indinavir monohydrate", "Indinavir", "Indinavir", "Indinavir system suitability"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRQMUZJSZHZSGN-HBNHAYAOSA-N", "SMILES:CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743261", "category": ["biolink:ChemicalEntity"], "name": "MEXAZOLAM", "xref": ["InChIKey:ANUCDXCTICZJRH-UHFFFAOYSA-N", "SMILES:CC1COC2(c3ccccc3Cl)c3cc(Cl)ccc3NC(=O)CN12"], "synonym": ["Mexazolam", "Mexazolam", "Melex", "CS-386"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1472975", "category": ["biolink:ChemicalEntity"], "name": "PEROSPIRONE", "xref": ["InChIKey:FBVFZWUMDDXLLG-HDICACEKSA-N", "SMILES:O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1"], "synonym": ["Perospirone", "Perospirona", "Perospirone", "Perospirone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1096842", "category": ["biolink:ChemicalEntity"], "name": "PRANIDIPINE", "xref": ["InChIKey:XTFPDGZNWTZCMF-DHZHZOJOSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1"], "synonym": ["Pranidipine", "Pranidipino", "Acalas", "FRC-8411", "OPC-13340"]}
{"id": "CHEMBL.COMPOUND:CHEMBL716", "category": ["biolink:ChemicalEntity"], "name": "QUETIAPINE", "xref": ["InChIKey:URKOMYMAXPYINW-UHFFFAOYSA-N", "SMILES:OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1"], "synonym": ["Quetiapine", "Quetiapine", "Quetiapine", "Quetiapine", "Quetiapina", "Quetiapine", "Norsic", "Quetiapine", "Quetiapine extended release", "NSC-758918", "Atrolak xl", "Biquelle xl", "Brancico xl", "Ebesque xl", "Mintreleq xl", "Psyquet xl", "Seotiapim xl", "Seroquel", "Seroquel xl", "Sondate xl", "Tenprolide xl", "Zaluron xl"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1496", "category": ["biolink:ChemicalEntity"], "name": "ROSUVASTATIN", "xref": ["InChIKey:BPRHUIZQVSMCRT-VEUZHWNKSA-N", "SMILES:CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O"], "synonym": ["Rosuvastatin", "Rosuvastatin", "Rosuvastatin", "Rosuvastatine", "Rosuvastatina", "Rosuvastatin", "Creston", "Rosuvastatin", "X-plended", "ZD-4522", "ZD4522"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1263", "category": ["biolink:ChemicalEntity"], "name": "SALMETEROL", "xref": ["InChIKey:GIIZNNXWQWCKIB-UHFFFAOYSA-N", "SMILES:OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O"], "synonym": ["Salmeterol", "Salmeterol", "Salmeterol", "Salmeterol", "Salmeterol", "Salmaterol", "Salmeterol", "GR 33343 X", "GR-33343-X", "SN408D", "Salmeterol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1419", "category": ["biolink:ChemicalEntity"], "name": "SIBUTRAMINE", "xref": ["InChIKey:UNAANXDKBXWMLN-UHFFFAOYSA-N", "SMILES:CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1"], "synonym": ["Sibutramine", "Sibutramine", "Sibutramine", "Sibutramine", "Sibutramina", "Sibutramine", "Butramin", "Cf-alli", "Medaria", "Racemic sibutramine", "Sibutramine", "Reductil"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1027", "category": ["biolink:ChemicalEntity"], "name": "TIAGABINE", "xref": ["InChIKey:PBJUNZJWGZTSKL-MRXNPFEDSA-N", "SMILES:Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C"], "synonym": ["Tiagabine", "Tiagabine", "Tiagabine", "Tiagabine", "Tiagabina", "Tiagabine", "Abbott-70569-1", "Tiagabine", "A-70569-1", "ABBOTT-70569 FREE BASE", "ABBOTT-705691 FREE BASE", "ABT-569 FREE BASE", "NNC-050328 FREE BASE", "NO-050328 FREE BASE", "Gabitril"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1630578", "category": ["biolink:ChemicalEntity"], "name": "TIRILAZAD", "xref": ["InChIKey:RBKASMJPSJDQKY-RBFSKHHSSA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1"], "synonym": ["Tirilazad", "Tirilazad", "Tirilazad", "Tirilazad", "Tirilazad", "U 74006", "U-74006"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL404216", "category": ["biolink:ChemicalEntity"], "name": "TOFISOPAM", "xref": ["InChIKey:RUJBDQSFYCKFAA-UHFFFAOYSA-N", "SMILES:CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21"], "synonym": ["Tofisopam", "Tofisopam", "Emandaxin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL119", "category": ["biolink:ChemicalEntity"], "name": "TRIMETREXATE", "xref": ["InChIKey:NOYPYLRCIDNJJB-UHFFFAOYSA-N", "SMILES:COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC"], "synonym": ["Trimetrexate", "Trimetrexate", "Trimetrexate", "Trimetrexato", "CI-898", "NSC-249008", "Trimetrexate"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1520", "category": ["biolink:ChemicalEntity"], "name": "VARDENAFIL", "xref": ["InChIKey:SECKRCOLJRRGGV-UHFFFAOYSA-N", "SMILES:CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12"], "synonym": ["Vardenafil", "Vardenafil", "Vardenafil", "Vardenafil", "Vardenafil", "Vardenafil", "Vivanza", "BAY-389456", "BAY38-9456", "Levitra", "Vardenafil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL553025", "category": ["biolink:ChemicalEntity"], "name": "VINORELBINE", "xref": ["InChIKey:GBABOYUKABKIAF-IELIFDKJSA-N", "SMILES:CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2"], "synonym": ["Vinorelbine", "Vinorelbine", "Vinorelbine", "Vinorelbine", "Vinorelbina", "Vinorelbine", "Navelbin", "Vinorelbine", "Vinorelbine base", "NSC-760087"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL708", "category": ["biolink:ChemicalEntity"], "name": "ZIPRASIDONE", "xref": ["InChIKey:MVWVFYHBGMAFLY-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1"], "synonym": ["Ziprasidone", "Ziprasidone", "Ziprasidone", "Ziprasidona", "Ziprasidone", "Zipradon", "Ziprasidone", "CP-88059"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL814", "category": ["biolink:ChemicalEntity"], "name": "FLUVOXAMINE", "xref": ["InChIKey:CJOFXWAVKWHTFT-XSFVSMFZSA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1"], "synonym": ["Fluvoxamine", "Fluvoxamine", "Fluvoxamine", "Fluvoxamina", "Fluvoxamine", "Fluvoxamine", "N06AB08"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL405845", "category": ["biolink:ChemicalEntity"], "name": "FURAFYLLINE", "xref": ["InChIKey:KGQZGCIVHYLPBH-UHFFFAOYSA-N", "SMILES:Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2Cc1ccco1"], "synonym": ["Furafylline", "Furafilina"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL283196", "category": ["biolink:ChemicalEntity"], "name": "ALPHA-NAPHTHOFLAVONE", "xref": ["InChIKey:VFMMPHCGEFXGIP-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3989843", "category": ["biolink:ChemicalEntity"], "name": "TRANYLCYPROMINE", "xref": ["InChIKey:IGLYMJRIWWIQQE-QUOODJBBSA-N", "SMILES:N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1"], "synonym": ["Tranylcypromine", "Tranylcypromine", "Tranylcypromine", "Tranilcipromina", "Tranylcypromine", "Tranylcypromine", "NSC-80664"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL6640", "category": ["biolink:ChemicalEntity"], "name": "TRYPTAMINE", "xref": ["InChIKey:APJYDQYYACXCRM-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSXYEZZVVMXGM-UHFFFAOYSA-N", "SMILES:C=C(C)C1(C)C2CC3C4CC5CC3C1C(C5)C4C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFZVQLPXHHOBED-UHFFFAOYSA-N", "SMILES:C=C(C)C1(C)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275528", "category": ["biolink:ChemicalEntity"], "name": "PHENCYCLIDINE", "xref": ["InChIKey:JTJMJGYZQZDUJJ-UHFFFAOYSA-N", "SMILES:c1ccc(C2(N3CCCCC3)CCCCC2)cc1"], "synonym": ["Phencyclidine", "Phencyclidine", "Fenciclidina", "Angel dust", "Phencycline", "Phenylcyclidine", "Tic tac", "J4.441E"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL267744", "category": ["biolink:ChemicalEntity"], "name": "TICRYNAFEN", "xref": ["InChIKey:AGHANLSBXUWXTB-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl"], "synonym": ["Tienilic acid", "Tienilic acid", "Tienilic acid", "Tienilic acid", "Acide tienilique", "Acido tienilico", "Ticrynafen", "SK&F 62698", "SK&F-62698", "Selacryn", "Ticrynafen"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL446299", "category": ["biolink:ChemicalEntity"], "name": "NOOTKATONE", "xref": ["InChIKey:WTOYNNBCKUYIKC-JMSVASOKSA-N", "SMILES:C=C(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL366603", "category": ["biolink:ChemicalEntity"], "name": "DIALLYLDISULFIDE", "xref": ["InChIKey:PFRGXCVKLLPLIP-UHFFFAOYSA-N", "SMILES:C=CCSSCC=C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL961", "category": ["biolink:ChemicalEntity"], "name": "DITIOCARB", "xref": ["InChIKey:LMBWSYZSUOEYSN-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=S)S"], "synonym": ["Carbamic acid, diethyldithio-", "Carbamodithioic acid, diethyl-", "Diethyl dithiocarbamate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL505", "category": ["biolink:ChemicalEntity"], "name": "CHLORPHENIRAMINE", "xref": ["InChIKey:SOYKEARSMXGVTM-UHFFFAOYSA-N", "SMILES:CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1"], "synonym": ["Chlorphenamine", "Chlorphenamine", "Clorfenamina", "Chlorpheniramine", "Isoclor"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL45816", "category": ["biolink:ChemicalEntity"], "name": "MIBEFRADIL", "xref": ["InChIKey:HBNPJJILLOYFJU-VMPREFPWSA-N", "SMILES:COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C"], "synonym": ["Mibefradil", "Mibefradil", "Mibefradil", "Mibefradil", "Mibefradil", "Mibefradil", "Posicor 100", "Posicor 50"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2103760", "category": ["biolink:ChemicalEntity"], "name": "AZAMULIN", "xref": ["InChIKey:FMHQJXGMLMSMLC-WBUYAQKGSA-N", "SMILES:CC[C@]1(C)C[C@@H](OC(=O)CSc2nnc(N)[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"], "synonym": ["Azamulin", "Azamuline", "Azamulina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23", "category": ["biolink:ChemicalEntity"], "name": "DILTIAZEM", "xref": ["InChIKey:HSUGRBWQSSZJOP-RTWAWAEBSA-N", "SMILES:COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1"], "synonym": ["Diltiazem", "Diltiazem", "Diltiazem", "Diltiazem", "Diltiazem", "Diltiazem extended release", "Ditiaz", "Surazem"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1664", "category": ["biolink:ChemicalEntity"], "name": "FOSAMPRENAVIR", "xref": ["InChIKey:MLBVMOWEQCZNCC-OEMFJLHTSA-N", "SMILES:CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1"], "synonym": ["Fosamprenavir", "Fosamprenavir", "Fosamprenavir", "Fosamprenavir", "GW-433908", "GW433908", "GW433908A"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL623", "category": ["biolink:ChemicalEntity"], "name": "NEFAZODONE", "xref": ["InChIKey:VRBKIVRKKCLPHA-UHFFFAOYSA-N", "SMILES:CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1"], "synonym": ["Nefazodone", "Nefazodone", "Nefazodone", "Nefazodona", "Nefazodone", "Nefazodone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL108475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDOZKJGKXYMEW-UHFFFAOYSA-N", "SMILES:CCc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL16645", "category": ["biolink:ChemicalEntity"], "name": "p-CRESOL", "xref": ["InChIKey:IWDCLRJOBJJRNH-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL14126", "category": ["biolink:ChemicalEntity"], "name": "BETANAPHTHOL", "xref": ["InChIKey:JWAZRIHNYRIHIV-UHFFFAOYSA-N", "SMILES:Oc1ccc2ccccc2c1"], "synonym": ["2-naphthol", "Betanaphthol", "NSC-2044"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVWQAGUQFBCTF-UHFFFAOYSA-N", "SMILES:Cn1c(NO)nc2ncc(-c3ccccc3)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743303", "category": ["biolink:ChemicalEntity"], "name": "DIIODOTHYRONINE", "xref": ["InChIKey:CPCJBZABTUOGNM-UHFFFAOYSA-N", "SMILES:NC(Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL261886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGLBSLMDCBOPQK-UHFFFAOYSA-N", "SMILES:CC(C)[N+](=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL53", "category": ["biolink:ChemicalEntity"], "name": "APOMORPHINE", "xref": ["InChIKey:VMWNQDUVQKEIOC-CYBMUJFWSA-N", "SMILES:CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3"], "synonym": ["Apomorphine", "Apomorphine", "6a.beta.-aporphine-10,11-diol", "Apomorphine", "Apomorphinum", "APL-130277", "VR-040", "VR040"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL284464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKUIEGXJHVFDV-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDMLQSGYUCLDC-UHFFFAOYSA-N", "SMILES:OCc1ccc2ccc3cccc4ccc1c2c34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL926", "category": ["biolink:ChemicalEntity"], "name": "DOBUTAMINE", "xref": ["InChIKey:JRWZLRBJNMZMFE-UHFFFAOYSA-N", "SMILES:CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1"], "synonym": ["Dobutamine", "Dobutamine", "Dobutamine", "Dobutamina", "Dobutamine", "Dl-dobutamine", "Dobutamine", "Racemic dobutamine", "COMPOUND 81929", "COMPOUND-81929", "Dobutamine", "Dobutamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Sulfotransferase 1B1", "xref": ["CHEMBL.TARGET:CHEMBL1743294"], "id": "UniProtKB:O43704", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743304", "category": ["biolink:ChemicalEntity"], "name": "REVERSE TRIIODOTHYRONINE", "xref": ["InChIKey:HZCBWYNLGPIQRK-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1624", "category": ["biolink:ChemicalEntity"], "name": "LEVOTHYROXINE", "xref": ["InChIKey:XUIIKFGFIJCVMT-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"], "synonym": ["L-thyroxine", "Levothyroxin", "Levothyroxine", "Synthetic levothyroxine", "Thyroxine", "Thyroxine, l-", "NSC-36397", "SK&F 1-6528", "Levothyroxine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Sulfotransferase 1C2", "xref": ["CHEMBL.TARGET:CHEMBL1743295"], "id": "UniProtKB:O00338", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sulfotransferase 1C4", "xref": ["CHEMBL.TARGET:CHEMBL1743296"], "id": "UniProtKB:O75897", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418971", "category": ["biolink:ChemicalEntity"], "name": "BISPHENOL A", "xref": ["InChIKey:IISBACLAFKSPIT-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccc(O)cc1)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL195437", "category": ["biolink:ChemicalEntity"], "name": "4-OCTYLPHENOL", "xref": ["InChIKey:NTDQQZYCCIDJRK-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL153062", "category": ["biolink:ChemicalEntity"], "name": "4-NONYLPHENOL", "xref": ["InChIKey:IGFHQQFPSIBGKE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1ccc(O)cc1"], "chembl_natural_product": true}
{"name": "Sulfotransferase 1E1", "xref": ["CHEMBL.TARGET:CHEMBL2346"], "id": "UniProtKB:P49888", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225546", "category": ["biolink:ChemicalEntity"], "name": "EQUILENIN", "xref": ["InChIKey:PDRGHUMCVRDZLQ-WMZOPIPTSA-N", "SMILES:C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CCC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1627343", "category": ["biolink:ChemicalEntity"], "name": "2-HYDROXYESTRONE", "xref": ["InChIKey:SWINWPBPEKHUOD-JPVZDGGYSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CCC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL467987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DILDHNKDVHLEQB-XSSYPUMDSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQZVQQZZOVBNLU-QDTBLXIISA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CCC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1412489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZFCKXEVSGWGS-ZHIYBZGJSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEJIHCIOCAUGG-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cn(-c2ccc(O)cc2)nc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253363", "category": ["biolink:ChemicalEntity"], "name": "PREGNENOLONE", "xref": ["InChIKey:ORNBQBCIOKFOEO-QGVNFLHTSA-N", "SMILES:CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Pregnenolone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL90593", "category": ["biolink:ChemicalEntity"], "name": "PRASTERONE", "xref": ["InChIKey:FMGSKLZLMKYGDP-USOAJAOKSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "synonym": ["Prasterone", "Prasterone", "Prasterone", "Prasterone", "Prasterone", "Prasterona", "Dehydroepiandrosterone", "Prasterone", "Androst-5-en-3.alpha.-ol-17-one", "Biolaif", "Dehydroandrosterone", "Dehydroisoandrosterone", "Isoandrostenolone", "Prasterone", "Prasterone, (3.alpha.)-", "Vaginorm", "EM-760", "NSC-9896", "Dhea", "Enzymatic therapy", "Intrarosa", "Natrol dhea", "Prasterone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL122617", "category": ["biolink:ChemicalEntity"], "name": "1-NAPHTHOL", "xref": ["InChIKey:KJCVRFUGPWSIIH-UHFFFAOYSA-N", "SMILES:Oc1cccc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL170043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQLVOHCPDYIFE-UHFFFAOYSA-N", "SMILES:OCc1c2ccccc2c2ccc3cccc4ccc1c2c43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22077", "category": ["biolink:ChemicalEntity"], "name": "HYCANTHONE", "xref": ["InChIKey:MFZWMTSUNYWVBU-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12"], "synonym": ["Hycanthone", "Hicantona", "NSC-134434", "NSC-142982", "WIN 24,933", "WIN-24933", "Hycanthone"], "chembl_natural_product": true}
{"name": "Sulfotransferase 2B1", "xref": ["CHEMBL.TARGET:CHEMBL1743297"], "id": "UniProtKB:O00204", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112570", "category": ["biolink:ChemicalEntity"], "name": "CHOLESTEROL", "xref": ["InChIKey:HVYWMOMLDIMFJA-DPAQBDIFSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Cholesterol", "Cholesterol", "Cholest-5-en-3-ol (3.beta.)-", "Cholesterinum", "Cholesterol", "Dythol", "Lidinit", "Lidinite", "Provitamin-d", "NSC-8798", "Cholesterol component of alf", "Cholesterol component of alf43", "Cholesterol component of alfq", "Cholesterol component of army liposome formulation", "Cholesterol"], "chembl_natural_product": true}
{"name": "Sulfotransferase 4A1", "xref": ["CHEMBL.TARGET:CHEMBL1743298"], "id": "UniProtKB:Q9BR01", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278164", "category": ["biolink:ChemicalEntity"], "name": "NAPHTHYLAMINE", "xref": ["InChIKey:JBIJLHTVPXGSAM-UHFFFAOYSA-N", "SMILES:Nc1ccc2ccccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL284143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYGGHVSFMUHLH-LKZOQLJESA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)C([C@H](C)CCCC(O)(C(F)(F)F)C(F)(F)F)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL534", "category": ["biolink:ChemicalEntity"], "name": "KETOTIFEN", "xref": ["InChIKey:ZCVMWBYGMWKGHF-UHFFFAOYSA-N", "SMILES:CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1"], "synonym": ["Ketotifen", "Ketotifen", "Ketotifen", "Ketotifene", "Ketotifeno", "Ketotifen", "(r)-ketotifen", "Ketotifen"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1743323", "category": ["biolink:ChemicalEntity"], "name": "NORBUPRENORPHINE", "xref": ["InChIKey:YOYLLRBMGQRFTN-IOMBULRVSA-N", "SMILES:CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@H]2O5"], "synonym": ["Norbuprenorphine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL422", "category": ["biolink:ChemicalEntity"], "name": "TRIFLUOPERAZINE", "xref": ["InChIKey:ZEWQUBUPAILYHI-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"], "synonym": ["Trifluoperazine", "Trifluoperazine", "Trifluoperazine", "Trifluoperazina", "Trifluoperazine", "Apo-trifluoperazine", "Flurazine", "Trifluoperazine", "NSC-17474", "NSC-46061", "RP-7623", "Amylozine", "Stelazine", "Stelazine fte"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL669", "category": ["biolink:ChemicalEntity"], "name": "CYCLOBENZAPRINE", "xref": ["InChIKey:JURKNVYFZMSNLP-UHFFFAOYSA-N", "SMILES:CN(C)CCC=C1c2ccccc2C=Cc2ccccc21"], "synonym": ["Cyclobenzaprine", "Cyclobenzaprine", "Ciclobenzaprina", "Cyclobenzaprine", "Cyclobenzaprine", "MK-130 (AS THE BASE)", "TNX-102", "Cyclobenzaprine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL12208", "category": ["biolink:ChemicalEntity"], "name": "HYMECROMONE", "xref": ["InChIKey:HSHNITRMYYLLCV-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(O)ccc12"], "synonym": ["Hymecromone", "Hymecromone", "Hymecromone", "Himecromona", "Hymecromone", "Hymecromone", "4-methylumbelliferone", "Hymecromone", "LM-94", "NSC-19026", "NSC-9408", "Cantabiline", "Hymecromone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL277346", "category": ["biolink:ChemicalEntity"], "name": "OCTYL_GALLATE", "xref": ["InChIKey:NRPKURNSADTHLJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1"], "synonym": ["E311"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL73380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXVFYQXJAXKLAK-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL55659", "category": ["biolink:ChemicalEntity"], "name": "ANTHRAQUINONE", "xref": ["InChIKey:RZVHIXYEVGDQDX-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL310555", "category": ["biolink:ChemicalEntity"], "name": "OXYQUINOLINE", "xref": ["InChIKey:MCJGNVYPOGVAJF-UHFFFAOYSA-N", "SMILES:Oc1cccc2cccnc12"], "synonym": ["Oxyquinoline", "8-hydroxyquinoline", "Hydroxyquinoline", "Oxine", "Oxyquinol", "Oxyquinoline", "J2.960B", "NSC-2039", "NSC-285166", "NSC-402623", "NSC-48037", "NSC-54230", "NSC-615011", "NSC-82404", "NSC-82405", "NSC-82409", "NSC-82410", "NSC-82412", "Oxyquinoline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL63323", "category": ["biolink:ChemicalEntity"], "name": "NIFLUMIC ACID", "xref": ["InChIKey:JZFPYUNJRRFVQU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1"], "synonym": ["Niflumic acid", "Niflumic acid", "Acide niflumique", "Acido niflumico", "Niflugel", "NSC-758196", "UP 83", "UP-83"]}
{"id": "CHEMBL.COMPOUND:CHEMBL683", "category": ["biolink:ChemicalEntity"], "name": "CLOFIBRIC ACID", "xref": ["InChIKey:TXCGAZHTZHNUAI-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)O"], "synonym": ["Clofibric acid", "Acide clofibrique", "Acido clofibrico", "Clofibric acid", "NSC-1149"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL71851", "category": ["biolink:ChemicalEntity"], "name": "SCOPOLETIN", "xref": ["InChIKey:RODXRVNMMDRFIK-UHFFFAOYSA-N", "SMILES:COc1cc2ccc(=O)oc2cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL592868", "category": ["biolink:ChemicalEntity"], "name": "ESTROGEN", "xref": ["InChIKey:GJUHUIXJLZINMA-MJCUULBUSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C"], "synonym": ["Estrogen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL87285", "category": ["biolink:ChemicalEntity"], "name": "ANDROSTERONE", "xref": ["InChIKey:QGXBDMJGAMFCBF-HLUDHZFRSA-N", "SMILES:C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1330", "category": ["biolink:ChemicalEntity"], "name": "MORPHINE GLUCURONIDE", "xref": ["InChIKey:GNJCUHZOSOYIEC-GAROZEBRSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C[C@H]3[C@H]1C5"], "synonym": ["Morphine glucuronide", "Glucuronide de morphine", "Glucuronido de morfina", "Morphine 6-.beta.-d-glucuronide", "Morphine 6-glucuronide", "Morphine 6-glucuronide(minor)", "Morphine glucuronide, (-)-", "Morphine-6-glucuronide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL365795", "category": ["biolink:ChemicalEntity"], "name": "TIAPROFENIC ACID", "xref": ["InChIKey:GUHPRPJDBZHYCJ-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1"], "synonym": ["Tiaprofenic acid", "Tiaprofenic acid", "Tiaprofenic acid", "Acide tiaprofenique", "Acido tiaprofenico", "Surgam", "Tiaprofen", "Tiaprofenate", "RU-15060", "Surgam 200", "Surgam 300", "Surgam sa"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL19490", "category": ["biolink:ChemicalEntity"], "name": "ZOMEPIRAC", "xref": ["InChIKey:ZXVNMYWKKDOREA-UHFFFAOYSA-N", "SMILES:Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1"], "synonym": ["Zomepirac", "Zomepirac", "Zomepirac", "Zomepiraco"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL28319", "category": ["biolink:ChemicalEntity"], "name": "QUESTIOMYCIN B", "xref": ["InChIKey:CDAWCLOXVUBKRW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1O"], "synonym": ["ortho-aminophenol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADIMAYPTOBDMTL-HNNXBMFYSA-N", "SMILES:O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL42710", "category": ["biolink:ChemicalEntity"], "name": "EUGENOL", "xref": ["InChIKey:RRAFCDWBNXTKKO-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(O)c(OC)c1"], "synonym": ["4-allylcatechol 2-methyl ether", "Bioxeda", "Caryophillic acid", "Dentogum", "Eugenol", "FEMA NO. 2467", "NSC-209525", "NSC-8895"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL309490", "category": ["biolink:ChemicalEntity"], "name": "GALANGIN", "xref": ["InChIKey:VCCRNZQBSJXYJD-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL9509", "category": ["biolink:ChemicalEntity"], "name": "SILIBININ", "xref": ["InChIKey:SEBFKMXJBCUCAI-DBMPWETRSA-N", "SMILES:COc1cc(C2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3OC2CO)ccc1O"], "synonym": ["Silymarin", "Silibinin", "Silibinine", "Silibinina", "Silybin", "Legalon", "Silibin", "Silibinin", "Silibinin a-silibinin b mixt.", "Silliver", "Silybine", "Silybin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL290591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHUOSHHIJUHOO-WYMLVPIESA-N", "SMILES:CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)C1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256919", "category": ["biolink:ChemicalEntity"], "name": "HYDRASTINE", "xref": ["InChIKey:JZUTXVTYJDCMDU-MOPGFXCFSA-N", "SMILES:COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3"], "synonym": ["Hydrastine", "NSC-757430", "Hydrastine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL261919", "category": ["biolink:ChemicalEntity"], "name": "PARATHION", "xref": ["InChIKey:LCCNCVORNKJIRZ-UHFFFAOYSA-N", "SMILES:CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBUFVRJUGFJQSI-PPJSLLJVSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3occc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHKKBBESXCBNM-INIZCTEOSA-N", "SMILES:CCN(CC1CCN(S(C)(=O)=O)CC1)[C@@H](C)Cc1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1519342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNIZAZDWHCMSB-UHFFFAOYSA-N", "SMILES:CCc1nc(C)c(CN2CCN(c3cc(C(F)(F)F)ccn3)CC2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRUWFCWUSNYBY-UHFFFAOYSA-N", "SMILES:Fc1cnc(N2CCN(CC3=NC(c4ccccc4)=NC3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL86", "category": ["biolink:ChemicalEntity"], "name": "METOCLOPRAMIDE", "xref": ["InChIKey:TTWJBBZEZQICBI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC"], "synonym": ["Metoclopramide", "Metoclopramide", "Metoclopramide", "Metoclopramida", "Metoclopramide", "Metoclopramide", "Clopra-\"yellow\"", "Elieten", "Methoxyclopramide", "Metoclopramide", "Terperan"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1078442", "category": ["biolink:ChemicalEntity"], "name": "BERGAMOTTIN", "xref": ["InChIKey:DBMJZOMNXBSRED-OQLLNIDSSA-N", "SMILES:CC(C)=CCC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513494", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROXYBERGAMOTTIN", "xref": ["InChIKey:IXZUPBUEKFXTSD-MDWZMJQESA-N", "SMILES:C/C(=C\\COc1c2ccoc2cc2oc(=O)ccc12)CCC(O)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743348", "category": ["biolink:ChemicalEntity"], "name": "SYDNONE", "xref": ["InChIKey:NVRSPIKUPKOSIY-UHFFFAOYSA-N", "SMILES:Cc1nnoc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908329", "category": ["biolink:ChemicalEntity"], "name": "LILOPRISTONE", "xref": ["InChIKey:RCOWGILQXUPXEW-FUSOFXSQSA-N", "SMILES:CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C\\CO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1"], "synonym": ["Lilopristone", "Lilopristona"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL479701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOCNBZCAGNYAED-OKFXBHNASA-N", "SMILES:COc1cc(C[C@H]2C(O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL469916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHFWHRGVDRJIK-IRXDYDNUSA-N", "SMILES:COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL486597", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROCUBEBIN", "xref": ["InChIKey:JKCVMTYNARDGET-HOTGVXAUSA-N", "SMILES:OC[C@H](Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL242011", "category": ["biolink:ChemicalEntity"], "name": "HINOKININ", "xref": ["InChIKey:DDWGQGZPYDSYEL-LSDHHAIUSA-N", "SMILES:O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL471067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLDZDDTZKXJLU-JKSUJKDBSA-N", "SMILES:COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517449", "category": ["biolink:ChemicalEntity"], "name": "LIMONIN", "xref": ["InChIKey:KBDSLGBFQAGHBE-MSGMIQHVSA-N", "SMILES:CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]2(C)C(=O)C[C@@H]13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL85139", "category": ["biolink:ChemicalEntity"], "name": "RUTAECARPINE", "xref": ["InChIKey:ACVGWSKVRYFWRP-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJYQLMILDVERHH-UHFFFAOYSA-N", "SMILES:CC(O)CCC(=O)c1ccoc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL404875", "category": ["biolink:ChemicalEntity"], "name": "GOMISIN C", "xref": ["InChIKey:UFCGDBKFOKKVAC-DSASHONVSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSZIWISHLSFWJO-PTGBLXJZSA-N", "SMILES:O=C(NC(/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)C(Cc1ccccc1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91704", "category": ["biolink:ChemicalEntity"], "name": "K-777", "xref": ["InChIKey:RHJLQMVZXQKJKB-FPHSVDBKSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1"], "synonym": ["K-777", "Slv 213", "APC-3316", "APC3316", "CRA-3316", "CRA3316", "K-1177", "K-11777", "K1177", "K777", "SLV-213", "SLV213"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMLDISQSWWYOT-UXHICEINSA-N", "SMILES:CNCCN1C(=O)[C@H](OC(C)=O)[C@H](c2ccc(OC)cc2)Sc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUKAZPCOMPMHC-JQMRRPHZSA-N", "SMILES:C=C(C)C(CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)OC(C)(C)C(O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743357", "category": ["biolink:ChemicalEntity"], "name": "FC726", "xref": ["InChIKey:AGWWNHLHAZTYCS-RYQLWAFASA-N", "SMILES:C/C(=C\\COc1c2ccoc2cc2oc(=O)ccc12)CCC(OC(C)(C)C(O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL35505", "category": ["biolink:ChemicalEntity"], "name": "DIHYDRALAZINE", "xref": ["InChIKey:VQKLRVZQQYVIJW-UHFFFAOYSA-N", "SMILES:N/N=c1\\[nH][nH]/c(=N\\N)c2ccccc12"], "synonym": ["Dihydralazine", "Dihydralazine", "Dihydralazine", "Dihidralazina", "Dihydralazine", "Dihydralazine", "NSC-526654"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SASVRDKVMXNKBH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(SCC[n+]2noc([O-])c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWUSXVEYWGDPK-MUUNZHRXSA-N", "SMILES:CC(C)CN(CC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNCc1cccc(F)c1)S(=O)(=O)c1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234521", "category": ["biolink:ChemicalEntity"], "name": "TIAMULIN", "xref": ["InChIKey:UURAUHCOJAIIRQ-QGLSALSOSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"], "synonym": ["Tiamulin", "Tiamulin", "Tiamuline", "Tiamulina", "SO 14055", "SQ 14055", "SQ-14055", "Denagard", "Tiamulin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743364", "category": ["biolink:ChemicalEntity"], "name": "METHYLENEDIOXYPHENYLBENZOTHIAZOLINE", "xref": ["InChIKey:LUCNJYCJDPSOOJ-UHFFFAOYSA-N", "SMILES:C=C(C)N1c2ccccc2SC1c1cc(OC)ccc1OCCCN(C)CCOc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLOBUUJURNEQCL-UHFFFAOYSA-N", "SMILES:CNCCCC(C#N)(c1ccc(OC)c(OC)c1)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1298", "category": ["biolink:ChemicalEntity"], "name": "NORVERAPAMIL", "xref": ["InChIKey:UPKQNCPKPOLASS-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNCCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"], "synonym": ["Norverapamil (6%)"], "chembl_natural_product": true}
{"name": "Cytochrome P450 2B4", "xref": ["CHEMBL.TARGET:CHEMBL1743542"], "id": "UniProtKB:P00178", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Cytochrome P450 3A6", "xref": ["CHEMBL.TARGET:CHEMBL1743541"], "id": "UniProtKB:P11707", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Cytochrome P450 2B1", "xref": ["CHEMBL.TARGET:CHEMBL3335"], "id": "UniProtKB:P00176", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORGQLWAZQOQNU-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccccc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1794794", "category": ["biolink:ChemicalEntity"], "name": "PEROXYNITRITE", "xref": ["InChIKey:CMFNMSMUKZHDEY-UHFFFAOYSA-N", "SMILES:O=NOO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSORCNALVBYBP-UHFFFAOYSA-N", "SMILES:C#CCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL164660", "category": ["biolink:ChemicalEntity"], "name": "PSORALEN", "xref": ["InChIKey:ZCCUUQDIBDJBTK-UHFFFAOYSA-N", "SMILES:O=c1ccc2cc3ccoc3cc2o1"], "synonym": ["Psoralen", "Ficusin", "Psoralen", "NSC-404562", "Psoralen"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL139604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUNGCZLFHHXKBX-UHFFFAOYSA-N", "SMILES:COc1c2c(cc3ccc(=O)oc13)CCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL24171", "category": ["biolink:ChemicalEntity"], "name": "BERGAPTEN", "xref": ["InChIKey:BGEBZHIAGXMEMV-UHFFFAOYSA-N", "SMILES:COc1c2ccoc2cc2oc(=O)ccc12"], "synonym": ["Bergapten", "5-methoxypsoralen", "Bergapten", "5-methoxypsoralen", "Bergaptan", "Bergapten", "Bergaptene", "Geralen", "Heraclin", "Majudin", "NSC-95437", "Methoxsalen related compound a"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1522900", "category": ["biolink:ChemicalEntity"], "name": "MENTHOFURAN", "xref": ["InChIKey:YGWKXXYGDYYFJU-UHFFFAOYSA-N", "SMILES:Cc1coc2c1CCC(C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCMDTYRWZFWNU-UHFFFAOYSA-N", "SMILES:CC#Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1743361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZXPFTLEVNQLGD-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLIAEOKZFZFZNK-UHFFFAOYSA-N", "SMILES:CC#Cc1ccc2c(ccc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3215302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMDWPNNECNGTO-UHFFFAOYSA-N", "SMILES:C#Cc1cc2ccc3cccc4ccc(c1)c2c34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473518", "category": ["biolink:ChemicalEntity"], "name": "RHAPONTIGENIN", "xref": ["InChIKey:WHKSEHKYYXHCTA-ONEGZZNKSA-N", "SMILES:COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4802106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZDFOOAFMQSYOV-UHFFFAOYSA-N", "SMILES:Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116336", "category": ["biolink:ChemicalEntity"], "name": "ETHYNE", "xref": ["InChIKey:HSFWRNGVRCDJHI-UHFFFAOYSA-N", "SMILES:C#C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWLSOWXNZPKENC-SSDOTTSWSA-N", "SMILES:C[C@H](c1cc2ccccc2s1)N(O)C(N)=O"], "synonym": ["(R)-(+)-Zileuton"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL242711", "category": ["biolink:ChemicalEntity"], "name": "BERGAPTOL", "xref": ["InChIKey:GIJHDGJRTUSBJR-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(O)c3ccoc3cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1522291", "category": ["biolink:ChemicalEntity"], "name": "NICOTYRINE", "xref": ["InChIKey:RYFOJXFXERAMLS-UHFFFAOYSA-N", "SMILES:Cn1cccc1-c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1743351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REMQOMJHQAJIFP-UHFFFAOYSA-N", "SMILES:C#CCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL58024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBKZFKJZYLRIU-UHFFFAOYSA-N", "SMILES:O=C(O)CN1C(=O)C(=O)N(Cc2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQJUIYHGPZUSKI-FMSQXTKESA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWZTGIMHXASRH-CPTMFQQVSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQJQNTQEROMKBY-WHBZDRFFSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVPCJVFYARXLY-UBLZWTTJSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUWVNEJHRRCJDJ-YIMDWRJOSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQVLVLTMVVRMH-FICITMKSSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMAUZHUTDDPRE-SJVHOBNKSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFOCKLGNRRSMIH-OPKOIXSNSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEVXVYOJSWUNBQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIAJHGLCXSCPG-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLIBKISXFVIFNR-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULOXBNCQVHNADK-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXVSFBFLNKKGJQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUJWSHBIFWUOO-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUNMRIGGGAVIY-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODMUFWVINBBREW-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNHSQRMETZNBA-OCSSWDANSA-N", "SMILES:CCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPHHMSMSZKAPH-FDAWAROLSA-N", "SMILES:CCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBFUDTVSBQKOV-BIZUNTBRSA-N", "SMILES:CCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRNDHNRVGQNOQG-FMFFXOCNSA-N", "SMILES:CCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHKOAKOMZBGVAC-KEIPNQJHSA-N", "SMILES:CCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBZIFRQNMYETA-FADJLKOXSA-N", "SMILES:CCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCKJAAGYDYMLV-GOJREDGKSA-N", "SMILES:CCCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIOKIUVZRBZCTE-HWLOXFRGSA-N", "SMILES:CCCCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYCTZMTDROLEE-UHFFFAOYSA-N", "SMILES:CCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDRJGXAXPWBHQO-UHFFFAOYSA-N", "SMILES:CCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CATICBJPMVXFEO-UHFFFAOYSA-N", "SMILES:CCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISKOWROMVLMSOV-UHFFFAOYSA-N", "SMILES:CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWSSUJWCJDJJPF-UHFFFAOYSA-N", "SMILES:CCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSLJYFKWLKJYHN-UHFFFAOYSA-N", "SMILES:CCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCESDKUKCPAXKN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISPVHKSBITFCL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMRYSGGABOUNDU-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCN)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMFMGQWSFBZJHX-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTDRFBHGIEYON-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCN)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGXUEMUOSEVRU-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCN)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMRVGZVEYKTXLI-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCN)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKPGCJXEUAHBK-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCN)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZYZZBRLERPXRY-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCN)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEIJYARJYLTIS-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCN)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCOINVGSJZJEQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CN)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXQXKNBBRAAMI-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C=O)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGBZWHPJFMTKS-UHFFFAOYSA-N", "SMILES:CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGHQGJAYZBFTGN-YVNJGZBMSA-N", "SMILES:OC[C@H]1O[C@@H](CNc2nc(I)nc3[nH]cnc23)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEJBYMNBUWVJU-OIMNJJJWSA-N", "SMILES:OC[C@H]1O[C@@H](CNc2nc(NCCN3CCOCC3)nc3[nH]cnc23)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMHOORGXBWVCG-BURFUSLBSA-N", "SMILES:COc1ccc(CCNc2nc(NC[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c3nc[nH]c3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLNCRIPHIUGDV-SJXGUFTOSA-N", "SMILES:OC[C@H]1O[C@@H](CNc2nc(NCCc3ccccc3)nc3[nH]cnc23)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQDWZOVNKQPEP-OIMNJJJWSA-N", "SMILES:OC[C@H]1O[C@@H](CNc2nc(NCCN3CCOCC3)c3nc[nH]c3n2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBXOZUJKZZGKE-BURFUSLBSA-N", "SMILES:COc1ccc(CCNc2nc(NC[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)nc3[nH]cnc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUNWCYRFKAEME-SJXGUFTOSA-N", "SMILES:OC[C@H]1O[C@@H](CNc2nc(NCCc3ccccc3)c3nc[nH]c3n2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFKREZIKGQWCF-UGWFNHDDSA-N", "SMILES:OC[C@H]1O[C@@H](CNc2nc(NCCc3ccccc3)c3nc[nH]c3n2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKHRJIQUDUWQAX-UGWFNHDDSA-N", "SMILES:OC[C@H]1O[C@@H](CNc2nc(NCCc3ccccc3)nc3[nH]cnc23)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOCIBKUHVURMIH-UHFFFAOYSA-N", "SMILES:Ic1nc(NCCN2CCOCC2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18028", "category": ["biolink:ChemicalEntity"], "name": "5-OXO-ETE", "xref": ["InChIKey:MEASLHGILYBXFO-XTDASVJISA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\C(=O)CCCC(=O)O"], "chembl_natural_product": true}
{"name": "Oxoeicosanoid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1628461"], "id": "UniProtKB:Q8TDS5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBQJZSWQMQYGNB-MEMKJMHRSA-N", "SMILES:O=C(O)CCCC(=O)/C=C/C=C\\C/C=C\\C/C=C\\CCCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZEFKYXIICIIEK-UHFFFAOYSA-N", "SMILES:Oc1ccc2cc[n+](CCc3cccc(C(F)(F)F)c3)cc2c1.[Cl-]"]}
{"name": "Platelet glycoprotein 4", "xref": ["CHEMBL.TARGET:CHEMBL1744526"], "id": "UniProtKB:P16671", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRCGUDSMXFBEL-UHFFFAOYSA-N", "SMILES:COc1ccc2cc[n+](CCc3ccccc3)cc2c1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXJOEVWNPZQJL-UHFFFAOYSA-M", "SMILES:COc1ccc2cc[n+](CCc3ccccc3C)cc2c1OC.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFCRZXTLBSIQW-UHFFFAOYSA-M", "SMILES:COc1ccc2cc[n+](CCc3cccc(F)c3)cc2c1OC.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRQVIQOOQUFRB-UHFFFAOYSA-N", "SMILES:COc1ccc(CC[n+]2ccc3cc(O)c(OC)cc3c2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPTSDXGLCQPVCW-UHFFFAOYSA-N", "SMILES:COc1cc2c[n+](CCc3ccc(F)cc3)ccc2cc1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUQDNNAVDRNDCH-VWLOTQADSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(-c4ccncc4)ccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTYDMAYQAPWQE-UQIIZPHYSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(-c4ccncc4)ccc3nc2-1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAQYFOOWGQKFR-UHFFFAOYSA-N", "SMILES:COCCN(CC(O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFRXEDVVVVCCFS-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)CC(O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAQYFOOWGQKFR-XGLRFROISA-N", "SMILES:COCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAQYFOOWGQKFR-PHSANKKPSA-N", "SMILES:COCCN(C[C@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHDZJHLVBFCDE-JINQPTGOSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGEPMLUTQQQQSC-GVNKFJBHSA-N", "SMILES:Cc1noc(C)c1S(=O)(=O)N(CCOC(C)C)C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNDFZFNVVGFVSZ-GVNKFJBHSA-N", "SMILES:CCCCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCAETDASGAZSZ-YMQLSTQVSA-N", "SMILES:Cc1noc(C)c1S(=O)(=O)N(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBGPQKGLZLBDPE-GVNKFJBHSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUWJZGAVWPJKP-GVNKFJBHSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHBRCOLRVRBBU-DQUNLGLBSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UREDWEOAHWPLON-LWAJAQLZSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHEJAPHOSMBKJY-DQUNLGLBSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPHJYLLAOXJARH-YMQLSTQVSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRFJJAWWBOABJH-DQUNLGLBSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDFJJGRNMNHIGL-YMQLSTQVSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONZIIEDMJXLRAD-UHFKCPIBSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWFENCKMNSKBH-XADRRFQNSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDVVGAZDAXSUBA-ALLRNTDFSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JANLTTGWVGUGII-ALLRNTDFSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc(F)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPBNLFIIFNMMLS-QUWDGAPNSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc(C#N)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNYVAADQZVUHY-GMMLNUAGSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc(C(N)=O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCCMCBGMWBCFE-SUHMBNCMSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc4c(cc3O2)CNC4=O)C1)S(=O)(=O)c1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKFBGIRLVOQAD-QASNXKAYSA-N", "SMILES:CCOCCN(C[C@@H](O)CN1CCCC2(CCc3c(ccc4[nH]ncc34)O2)C1)S(=O)(=O)c1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQEMCCCUMXEPCN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(Oc2ccc3c(c2)B(O)OC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDHSOZENUAPIZ-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(COc3ccc(Cl)cc3)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKHBDAXQBMVSEH-QOMFFSOSSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1275703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMZIUFNDNYWDU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccccc2)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRBMMFSDPLCPFY-RDTOLKQASA-N", "SMILES:C#Cc1nccn1C(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJPLLAYGKKAJN-LMEPXCORSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)n3ccnc3C#Cc3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHKXUTQSNSLDKB-GGWPRHRGSA-N", "SMILES:CC#Cc1nc(C)cn1C(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXWIPPZKVPRUFR-RTESTROVSA-N", "SMILES:C#Cc1cn(C(=O)[C@]23CCC(C)(C)C[C@H]2[C@H]2C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL639", "category": ["biolink:ChemicalEntity"], "name": "AZELASTINE", "xref": ["InChIKey:MBUVEWMHONZEQD-UHFFFAOYSA-N", "SMILES:CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1"], "synonym": ["Azelastine", "Azelastine", "Azelastine", "Azelastina", "Azelastine", "Azelastine", "NSC-758971"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1767165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWKFJGDSZGEFRY-UUWRZZSWSA-N", "SMILES:COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWSXILTLUTBAJ-PGUFJCEWSA-N", "SMILES:O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMKMPTLRTHMERW-MGBGTMOVSA-N", "SMILES:O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUJBIYBNNKNJC-UHFFFAOYSA-N", "SMILES:CSc1ccc(C2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMGJTNHAGAVWNP-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2c3c(nc4[nH]c(=O)[nH]c(=O)c24)-c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCHMRISGIZHYJM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRONDXLIYLEYME-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c3c(nc4[nH]c(=O)[nH]c(=O)c24)-c2ccccc2C3=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIQCUQKVCKNFCL-IZZDOVSWSA-N", "SMILES:CNC(=S)N/N=C/c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSARYNMULKHEMH-KPKJPENVSA-N", "SMILES:CCNC(=S)N/N=C/c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNWDIABXHFHBK-KPKJPENVSA-N", "SMILES:CNC(=S)N/N=C(\\C)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTHKAYIQGRORJA-MDWZMJQESA-N", "SMILES:CCNC(=S)N/N=C(\\C)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKGECFEMGIHJD-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cn23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJZXUFDBDMQATJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVAZPFMWSRDRRK-LBPRGKRZSA-N", "SMILES:CCCN(CCC)[C@H]1CCn2nccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFOVXIJDJSMKK-RUZDIDTESA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCn2nccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQUARJCMNGAQJX-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFOVXIJDJSMKK-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2nccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240773", "category": ["biolink:ChemicalEntity"], "name": "QUINPIROLE", "xref": ["InChIKey:FTSUPYGMFAPCFZ-ZWNOBZJWSA-N", "SMILES:CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@H]21"], "synonym": ["Quinpirole", "Quinpirol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKESQDGDFLIEFK-VJANTYMQSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLUABUPBCVRHD-KTMLBACSSA-N", "SMILES:Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN([11CH3])C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIFGMZZTJRULMA-PRJMDXOYSA-N", "SMILES:N[C@H](CCC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O)C(=O)O"]}
{"name": "Nucleotide-binding oligomerization domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1293222"], "id": "UniProtKB:Q9Y239", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNCPUGORYYCEM-QCLAVDOMSA-N", "SMILES:C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765916", "category": ["biolink:ChemicalEntity"], "name": "TRACHEAL CYTOTOXIN", "xref": ["InChIKey:APUIQTDTBPKWKE-RNPGEKFLSA-N", "SMILES:CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)NC(=O)[C@@H](C)N)C(=O)O)[C@@H](NC(C)=O)[C@@H]3OC[C@H]2O3)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOEJFZOCNOYIFL-HMSOVONQSA-N", "SMILES:CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O)C(=O)O)[C@@H](NC(C)=O)[C@@H]3OC[C@H]2O3)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBCZVGPOJGWFF-RNPGEKFLSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)NC(=O)[C@@H](C)N)C(=O)O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYHVEOZOKOAOKS-HMSOVONQSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O)C(=O)O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECRNBKQXBJXEA-WWHBBQDHSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)NC(=O)[C@@H](C)N)C(=O)O)[C@H](O)[C@@H](CO)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULQWXJSBYAHZCC-JQGLSVBASA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O)C(=O)O)[C@H](O)[C@@H](CO)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1766082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCVTCCVZBQMNZ-UHFFFAOYSA-N", "SMILES:Cc1ncccc1Oc1ncnc(OC2C3COCC2CN(C(=O)OC(C)C)C3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXYKELEVLRHGB-JDEKPUNUSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTJEMFVTMPFID-HSTATMNNSA-N", "SMILES:CNc1ccc(/C=C/C(=O)/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTSMZIYXQLLPO-UHFFFAOYSA-K", "SMILES:CC(C)C1=CC23CCC4C(C)(C(=O)[O-])CCCC4(C)C2CC1C(C(=O)[O-])C3C(=O)[O-].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTXXIIQHWKIYPJ-GSZOGNDYSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)OC/C=C/c4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3138092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSHFDEXMEUXQFY-JZRDJVCKSA-N", "SMILES:C[C@H](CCNC(=O)OC/C=C/c1ccccc1)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1766529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DORMVCLDXDMKMM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYFPGOMRUGVZGZ-RTBWCVLCSA-N", "SMILES:N.N.O=c1cc(I)n([C@@H]2O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQPUVGQSCQQBK-RTBWCVLCSA-N", "SMILES:N.N.[N-]=[N+]=Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZDRNHMBDDABC-BAZBJWKESA-N", "SMILES:N.N.N#Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1766712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNTWUWUGNGXMGN-FOKLQQMPSA-N", "SMILES:O=C(O)c1ccc(/C=N/OCc2ccc(-c3cccc(C(F)(F)P(=O)(O)O)c3)cc2)o1"]}
{"name": "Secreted effector protein", "synonym": ["protein-tyrosine-phosphatase"], "xref": ["CHEMBL.TARGET:CHEMBL3646"], "id": "UniProtKB:O68720", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:632"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKFICWJXVSAQC-OJAKKHQRSA-N", "SMILES:O=C(O)C1CCN(C[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQRKISITQOPNHW-YNEHKIRRSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCC(C(=O)O)CC3)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQRKISITQOPNHW-JHJVBQTASA-N", "SMILES:Cc1cn([C@H]2C[C@@H](O)[C@@H](CN3CCC(C(=O)O)CC3)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVAKAHRTARPVHG-QWHCGFSZSA-N", "SMILES:Cc1cn([C@H]2C=C[C@@H](CN3CCC(C(=O)O)CC3)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6066864", "category": ["biolink:ChemicalEntity"], "name": "FLUPENTIXOL", "synonym": ["Flupentixol", "Flupentixol", "Flupenthixol", "Flupentixol", "LC 44", "LC-44", "N-7009"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIWLPVXEFSYXMC-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)F)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULYPZWRNSWJFH-VIFPVBQESA-N", "SMILES:C[C@@H](CS(=O)(=O)F)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNZOMFOWAPTQZ-GFCCVEGCSA-N", "SMILES:CC(C)[C@@H](CS(=O)(=O)F)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRBKBJQTWVAPK-ZDUSSCGKSA-N", "SMILES:CC(C)C[C@@H](CS(=O)(=O)F)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGVWQTVBPNDPM-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)CS(=O)(=O)F)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTHYNVPZMGSMPP-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc3ccc(OCCCF)cc3oc2=O)cc1"]}
{"name": "Myelin basic protein", "xref": ["CHEMBL.TARGET:CHEMBL1764935"], "id": "UniProtKB:P04370", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFPTVCFNQIHAGH-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2oc(=O)c(-c3ccc(N(C)C)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPOOIOKZBZYPPZ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc3ccc(OCCF)cc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUEZHEXKOBEXRX-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc3ccc(O)cc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFYEZXIBRUIIW-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2cc(-c3ccc(N(C)C)cc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUFHCSYCAHQYIS-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1528660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYIBWAQRUZXFGC-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cc3ccccc3oc2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1765809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQVPXNNQPOAYJQ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2ccc3cc(C(=O)c4cccs4)c(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOWWMHJNXGZDW-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2ccc3cc(-c4nc5ccccc5n4C)c(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMAHKSAAVUCBE-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRJIKSVOOMDBDK-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWQJARGJGHODN-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2ccc3cc(-c4ccc(CBr)cc4)c(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKBMMPNQRCILGK-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2ccc3cc(-c4ccc(N)cc4)c(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSJYNZVRYYTLS-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2ccc3cc(-c4ccc([N+](=O)[O-])cc4)c(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRJUYUNTNIQMP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cc3cc(F)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNXIEQTSPVVOI-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc3cc(F)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNNQXCQCFPZRT-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc3cc(O)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOZLLOQVLMWIJ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc3cc(OCCF)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAFQBCGHEZULIT-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc3cc(OCCCF)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFXMYHPLTQTTFW-REUBFRLUSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCC)=C2c1ccccc1"]}
{"name": "Steroidogenic factor 1", "xref": ["CHEMBL.TARGET:CHEMBL1764943"], "id": "UniProtKB:P33242", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVIUUYICERBOIG-XCZPVHLTSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CN(C)C[C@@H]1CC(CCCCCC)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPPOYXUJWOQBV-NOZRDPDXSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIIHGTMRSVLZBO-NKUVHBIJSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1766122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLWWAEBDZAWVDG-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCCCCn1cc(N(C(C)C)C(C)C)nn1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOPRHEOJTUWSAR-CQSZACIVSA-N", "SMILES:CC[C@H](CO)Nc1nc(NCc2ccccc2)c2[nH]nc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTLQKIGLQLGNRL-IBGZPJMESA-N", "SMILES:O=C(c1ncc(-c2ccccn2)o1)[C@H]1CCc2cc(Oc3ccccc3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUXKBECWMQCQPK-SFHVURJKSA-N", "SMILES:O=C(O)c1cccc(-c2cnc(C(=O)[C@H]3CCc4cc(Oc5ccccc5)ccc4C3)o2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMYSSXCAAUQOKN-GVTZFPMGSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc([125I])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFNSFLHZNCRHZ-RPKLKCCOSA-N", "SMILES:CNc1ccc(/C=C/C(=O)/C=C/c2ccc([125I])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMVMHSITBIEOFV-SFTDATJTSA-N", "SMILES:CCC[C@H]1C(=O)N(COC(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)COC(=O)c2c(Cl)cccc2Cl)S(=O)(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVAXOYPIPUCRY-UHFFFAOYSA-N", "SMILES:CC(C)C1(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O"]}
{"name": "Prostaglandin E2 receptor EP3 subtype", "xref": ["CHEMBL.TARGET:CHEMBL5674"], "id": "UniProtKB:P34980", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAANBNFCVDWWGH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc3ccccc3c2)c2cccc(F)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPXQWAGOZLFNEJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)COc1ccccc1CN2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLPLYSROCPWFF-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBQNUGROSFQNQN-VCHYOVAHSA-N", "SMILES:Cc1cc(N/N=C/c2ccc(O)c(O)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLLTPNUUSLCMD-LDADJPATSA-N", "SMILES:COc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNKNEAIJIQNANG-YBFXNURJSA-N", "SMILES:Cc1ccc2cc(C)c(N/N=C/c3ccc(O)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMXMMXKJZXPCW-LICLKQGHSA-N", "SMILES:Oc1ccc(/C=N/Nc2ccc3ccccc3n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJVTMRXKYSJNU-RGVLZGJSSA-N", "SMILES:COc1cc(/C=N/Nc2nc3cc(C)ccc3cc2C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHEOEWAPXYGOOW-WOJGMQOQSA-N", "SMILES:Cc1cc(N/N=C/c2ccncc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAPAHPFWGCGISY-UHFFFAOYSA-N", "SMILES:O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(CCc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXSXNADVYOQGG-UHFFFAOYSA-N", "SMILES:O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(CCc2ccccc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCGKVOUELNADU-HNNXBMFYSA-N", "SMILES:C#CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O"]}
{"name": "Eukaryotic translation initiation factor 2 subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL1770036"], "id": "UniProtKB:Q6ZWX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZMURYMUDDFCW-AWEZNQCLSA-N", "SMILES:[N-]=[N+]=NCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIMYRLXVAOYQLA-UHFFFAOYSA-N", "SMILES:CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ccccc4[nH]3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHTURLVFIJHCLS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZMWBURMKWVEHU-KPKJPENVSA-N", "SMILES:O=C1Nc2cc(Cl)ccc2/C1=C\\C(=O)c1cccnc1"]}
{"name": "Protein-glutamine gamma-glutamyltransferase", "synonym": ["Protein-glutamine gamma-glutamyltransferase 2"], "xref": ["CHEMBL.TARGET:CHEMBL2730"], "id": "UniProtKB:P21980", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHZWEOWEJKTUPX-YKSBVNFPSA-N", "SMILES:CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@H]4C[C@H](O)CCO4)c(C)c3oc2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZUJYNUVFZWURQ-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC4CCNCC4)c(C)c3oc2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUPXKSLKGSSZCP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWNAFJOQXURHBK-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPWASJCSEDYSDE-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1"]}
{"name": "Phosphotyrosine-protein phosphatase PTPB", "synonym": ["Tyrosine specific protein phosphatases domain-containing protein"], "xref": ["CHEMBL.TARGET:CHEMBL4540"], "id": "UniProtKB:P96830", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83331"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1624037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSSIYGXZQZYDM-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRFRBVKUDYGGY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)oc3ccccc23)cc1O"]}
{"name": "ATP-binding cassette sub-family B member 5", "xref": ["CHEMBL.TARGET:CHEMBL1772928"], "id": "UniProtKB:Q2M3G0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL153529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOAAZLIOOBKJEK-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(-c3ccc(OC)c(O)c3)cc(=O)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1775214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNCCQWCGFMVNTG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)oc3cccc(OC)c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTBCLTBRZIBCGP-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=O)cc(-c3ccc(OC)c(O)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775032", "category": ["biolink:ChemicalEntity"], "name": "FERRUGINENE B", "xref": ["InChIKey:ZOCFYPAYCMVCQS-QOACGZPJSA-N", "SMILES:C=C(C/C=C/C(C)(C)O)[C@@H]1CC[C@](C)(O)[C@H]2Oc3cc(C)cc(O)c3[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1775033", "category": ["biolink:ChemicalEntity"], "name": "FERRUGINENE C", "xref": ["InChIKey:LQECQNLKIZLVSL-PAMZHZACSA-N", "SMILES:C=C(C)C(O)CCC(=C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL406658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYNFUREPOMYSY-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHXWTIIFWARQLP-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCATRMYQSEPKR-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPRLPJXOGZRAZ-UHFFFAOYSA-N", "SMILES:ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTWMXTGUDMPDEI-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBRVSSMSYRPVCE-UHFFFAOYSA-N", "SMILES:ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQTSNYXAEAFGQR-QQJYNPJZSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N3CCOCC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJWBGDSOQZTLDF-GEYQZXRLSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCCc3c[nH]c5ccccc35)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZZATZDMGYEFF-OAWKLDIGSA-N", "SMILES:CC(C)=C1CC[C@@H](C)C=C1/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZZATZDMGYEFF-BDIJOXHHSA-N", "SMILES:CC(C)=C1CC[C@H](C)C=C1/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKJJFZTALFHMZ-JEDXWFSOSA-N", "SMILES:CC(=C/C=C/C(C)=C/C(=O)O)/C=C/C1=C[C@@H](C)CC[C@@H]1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADAPKLAERAWQU-PGCPYWQFSA-N", "SMILES:C=C(C)[C@@H]1CC[C@@H](C)C=C1/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APWBALZVDXYJOZ-NMIDTGSNSA-N", "SMILES:C[C@@H](O)[C@H](Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXPBEUYCCZFJT-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)c2c1c(O)c1ccccc1c2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1773444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRBHXDJDQRAKF-CXQHBBNUSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDUNXRBUVGARQ-DJZYRAMHSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)c1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYGVOSSWKGMYJL-RDNHPLSMSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLVEXQXVHGILF-CXQHBBNUSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHKCROLHFNHJI-HJMGNWDMSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEVFPSWEGPEQA-CXQHBBNUSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAJPLWZDTASJEH-JAPKADDJSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSONORHOHWNSP-BOALXCIYSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBGJNZUESIVJG-XYVAULIFSA-N", "SMILES:CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDWONFZSHXLAN-GXQXIHHKSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFQBSIYFLWJTH-CACLQLEZSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCWHVKEFLYFJU-MXCWXQFNSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWMTYZRYBCJFDC-GBNQAXGLSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEYTJKWMWGIQO-XYVAULIFSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRVZVLZLVAUTJE-XYVAULIFSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJRLHCYVMADSQ-GBNQAXGLSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPZVRDYVTMRWOW-XYVAULIFSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNOGZCNQPVUIQG-NZQKXSOJSA-N", "SMILES:COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1CCC(O)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3084361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXWKGLTAQEMIN-IMYITWNYSA-N", "SMILES:COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1[C@@H]2CC[C@H]1C[C@@](O)(c1ccc(Cl)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIPLSFFYJNKFR-XXBNENTESA-N", "SMILES:COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CCC(O)(c2ccc(Cl)cc2)CC1"]}
{"name": "Sigma non-opioid intracellular receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4153"], "id": "UniProtKB:Q60492", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJRCNSEYLVKQJ-GJQNQZCXSA-N", "SMILES:CNc1ccc(-c2cc3cc(OCCOCCOCC[18F])ccc3o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPJJYMKTWVMUCU-GCFVZNOFSA-N", "SMILES:C/C(=C\\C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@H](C)CCC(N)=O)C3)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFIFZVQOYWZCO-YPEWWOGOSA-N", "SMILES:CCCC[C@H](NC(=O)/C=C(\\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(C)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCOFKMAIRSYAJ-SROYEFCZSA-N", "SMILES:CCCC[C@H](NC(=O)/C=C(\\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVYXGYHGUSPFU-OQAMPJOZSA-N", "SMILES:C[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)/C=C/c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTLZUHJBOBKRG-HCUBDLJJSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZPQFHNIWBNBGH-AOOMQFHUSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCc4ccc(CCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](Cc8c[nH]c9ccccc89)NC(C)=O)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCRWCGKTNLNFIB-VUHFQLKMSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCc4ccc(CCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](Cc8c[nH]c9ccccc89)NC(C)=O)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFIFZVQOYWZCO-APGXRIERSA-N", "SMILES:CCCC[C@H](NC(=O)/C=C(\\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(C)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCOFKMAIRSYAJ-YZBLDEPNSA-N", "SMILES:CCCC[C@H](NC(=O)/C=C(\\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N[C@H](C)CCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPPTVBSNCBJGM-AMVCLAKYSA-N", "SMILES:CCCC[C@H](NC(=O)/C=C(\\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1CC2CC2C1C(=O)NCCNC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1350514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFOLMPFZCVBCTJ-QJOMJCCJSA-N", "SMILES:Cc1ccc(C(=O)N/C(=C\\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCCCN(C)C)cc1"]}
{"name": "Replicase polyprotein 1ab", "xref": ["CHEMBL.TARGET:CHEMBL5118"], "id": "UniProtKB:P0C6X7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:694009"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1315054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAVOXWIZJYSGEP-XLNRJJMWSA-N", "SMILES:Cc1ccc(C(=O)N/C(=C\\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL529177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEXBJUKRZILANI-UHFFFAOYSA-N", "SMILES:Cc1c(N)ccc2[nH]c(-c3ccc(N)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBKVVKSTULRAR-UVRDFTAXSA-N", "SMILES:NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4c(-c5ccccc5)nc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1720377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSWCOOVGYNLMFY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-n2sc3ccccc3c2=O)cc1"]}
{"name": "Mannose-6-phosphate isomerase", "xref": ["CHEMBL.TARGET:CHEMBL2758"], "id": "UniProtKB:P34949", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUUCAKPYVFGTR-RNKBXTRMSA-N", "SMILES:Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHZCNWQGSRNJG-AKZQISGYSA-N", "SMILES:Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMHXAUWCDPYSZ-QBGRQLKXSA-N", "SMILES:Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCOCCOCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFJHNKSIWJBJY-QSEPFCGTSA-N", "SMILES:Cc1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)c(C)[n+]1CCOCCOCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJZDVWIRCYWXSJ-UFAOSUKJSA-N", "SMILES:Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCCC(=O)/N=C(\\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)/N=C(\\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKSTLRGKPTEBT-YHUROYCCSA-N", "SMILES:Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCNC(=O)CCCC(=O)/N=C(\\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCNC(=O)CCCC(=O)/N=C(\\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHCXLHHNIJCKEW-FYQWNKFKSA-N", "SMILES:CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MONAIDLXOPLJNS-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)C1(C(=O)NCCCCCCCCCCOCC2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWQFBLKSIWKPDJ-JIDHJSLPSA-N", "SMILES:Cl.N=C(N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJCBAJFIJWQEN-SNYZSRNZSA-N", "SMILES:Cl.N=C(N)[C@@H]1CCCN1C(=O)c1ccc(-c2nc(-c3cccc(CCC4CCCCC4)c3)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APHADGNZJGOQKN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCc1ccc(C(=O)NC2(C(=N)N)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSIKZRHFFDICGQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMQDHKKFPZYCI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc3sc(Nc4cccc(C(C)(C)C)c4)nc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCCZYGBRBDZJF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(C(C)C)c4)nc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYALKJYQTXQPR-UHFFFAOYSA-N", "SMILES:CCCC(=O)Oc1ccc(COc2ccc3nc4ccc(=O)cc-4oc3c2)cc1"]}
{"name": "Cocaine esterase", "xref": ["CHEMBL.TARGET:CHEMBL3180"], "id": "UniProtKB:O00748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1780244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKKZZPXAGVPJCJ-ZDUSSCGKSA-N", "SMILES:O=C(O)[C@H](c1c[nH]c2ccccc12)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1780247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXEMWCFVESOFSR-ZDUSSCGKSA-N", "SMILES:CC1=C(C)C(=O)N([C@H](C(=O)O)c2c[nH]c3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1780246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCOKNDPOJTUZEQ-SFHVURJKSA-N", "SMILES:O=C(O)[C@H](c1c[nH]c2ccccc12)N1C(=O)C=C(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1780245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRZIGLCLXWTXEU-ZDUSSCGKSA-N", "SMILES:CC1=CC(=O)N([C@H](C(=O)O)c2c[nH]c3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIEOVSNZGZNVTK-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C)c(C(=O)O)[nH]c2cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYXNTSCXWIJBU-UHFFFAOYSA-N", "SMILES:Cc1cc2[nH]c(C(=O)O)c(C)c2cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRHGHYIEKUHCU-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)[nH]c2ccc(C(=O)O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779325", "category": ["biolink:ChemicalEntity"], "name": "MURAMYL DIPEPTIDE", "xref": ["InChIKey:BSOQXXWZTUDTEL-QAQREVAFSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O"], "synonym": ["Muramyl dipeptide", "Acetylmuramyl-alanyl-isoglutamine", "Mdp (adjuvant)", "Muramyl dipeptide", "N-acetylmuramyl dipeptide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEHHZMUMLVPEL-WUXUBVPQSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHLBZKCGUXHGP-BHBBPGSKSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1779330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXQDAWINNNRFY-SUYQVCQCSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTZQJNGFWMTNGK-PMRZBUGYSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1777829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXBLSQNZKMJACT-BYEZXYKXSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWFLIVFZPXOKF-RKHFZDNJSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDSNCORWDDODI-DOONVGNOSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPIPIAPIGCZOKH-ZNWZBUSCSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUDVVSEJXFARV-PVPVAVQPSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](COC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243664", "category": ["biolink:ChemicalEntity"], "name": "ACACETIN", "xref": ["InChIKey:DANYIYRPLHHOCZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1780061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMRUZIIERITEP-UHFFFAOYSA-N", "SMILES:CCCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1777828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKYZPXWNGDIHCJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CC(C(=O)NCCCN3CCN(C)CC3)c3ccccc32)c(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYNBAMLJXRQZKA-KQYNXXCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(OP(=O)(O)O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVKNEWZZVFUFN-XLPZGREQSA-N", "SMILES:Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(OP(=O)(O)O)OP(=O)(O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYQLRPJNDECIR-XLPZGREQSA-N", "SMILES:Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(OP(=O)(O)O)OP(=O)(O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRIXKBXGBIMQHL-JGVFFNPUSA-N", "SMILES:Cc1cn([C@H]2C=C[C@@H](COP(=O)(OP(=O)(O)O)OP(=O)(O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUWQRLCBJTRCE-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZWVEXZUHVDBR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2c(N)sc3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZVEXLVUYCRII-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL300356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYNMMOQFTALBPY-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPMWHKICSOCXCW-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSKZXYPUKICSQ-UHFFFAOYSA-N", "SMILES:CCCCC(Sc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUQWDZAQHHYDS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZMHNTGQDLGCKH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(OCC(=O)O)c(-c2ccccc2)c1"]}
{"name": "P2X purinoceptor 7", "xref": ["CHEMBL.TARGET:CHEMBL5183"], "id": "UniProtKB:Q9Z1M0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MORMTPCBNIXJAR-DLAUHDCRSA-N", "SMILES:CCCCCCCCCCCCO[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKLCDWNZMCKCMP-PEOJXKTKSA-N", "SMILES:CCCCCCCCCCCCO[C@@H]1[C@H](OC)[C@@H](OC)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OC)[C@@H]1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOMERRQCQRHBH-XIVHEBHASA-N", "SMILES:CCCCCCCCCCCCO[C@@H]1[C@H](OCC=C(C)C)[C@@H](OC/C=C/C(C)C)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCC=C(C)C)[C@@H]1OCC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFJJAEPJVLYEPG-PKOOSXCOSA-N", "SMILES:CCCCCCCCCCCCO[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJPDTAJXOWZJF-XHAVFVFDSA-N", "SMILES:CCCCCCCCCCCCO[C@H]1[C@@H](OCc2ccc(C(C)C)cc2)[C@H](OCc2ccc(C(C)C)cc2)[C@@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@H](OCc2ccc(C(C)C)cc2)[C@H]1OCc1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGJKQKEGKLFKF-PKOOSXCOSA-N", "SMILES:CCCCCCCCCCCCO[C@H]1[C@@H](OCc2ccc(F)cc2)[C@H](OCc2ccc(F)cc2)[C@@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@H](OCc2ccc(F)cc2)[C@H]1OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRZIZHSMSVOESG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3ccc(-c4cccc(CN(C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMUMZUQVWRMAE-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(c2ccccc2)c2ccc(C(=O)C(=O)Nc3ccc(C(=O)O)cc3F)cc21"]}
{"name": "Retinoic acid receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL3266"], "id": "UniProtKB:P22605", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLQBVZRZMZHTSE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=CCC(C)(C)c3cc(C(=O)C(=O)Nc4ccc(C(=O)O)cc4F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZDUSUSCVSVCQT-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(C#Cc2ccccc2)c2ccc(C(=O)C(=O)Nc3ccc(C(=O)O)cc3F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIGTHUPDPUXKX-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(c2ccccc2)c2ccc(C(O)C(=O)Nc3ccc(C(=O)O)cc3F)cc21"]}
{"name": "Retinoic acid receptor gamma", "xref": ["CHEMBL.TARGET:CHEMBL4177"], "id": "UniProtKB:P18911", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUCMBLQZFAWPS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCc1cccc(O)c1C(=O)O"], "chembl_natural_product": true}
{"name": "Glyceraldehyde-3-phosphate dehydrogenase, glycosomal", "xref": ["CHEMBL.TARGET:CHEMBL5926"], "id": "UniProtKB:P22513", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5693"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782602", "category": ["biolink:ChemicalEntity"], "name": "THEONELLASTEROL G", "xref": ["InChIKey:JHWFNPQAVWUMPC-OQRWVIDESA-N", "SMILES:C=C1[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(O)[C@@H](O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)C[C@@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1782598", "category": ["biolink:ChemicalEntity"], "name": "THEONELLASTEROL B", "xref": ["InChIKey:GCDLGQKWZFXBSJ-RWSIXSPXSA-N", "SMILES:C=C1[C@@H](O)CC[C@]2(C)C3=CC[C@@]4(C)C(=CC[C@@H]4[C@H](C)CC[C@H](CC)C(C)C)C3=CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1782599", "category": ["biolink:ChemicalEntity"], "name": "THEONELLASTEROL C", "xref": ["InChIKey:SRPXWUUCXMMCIM-OURBDJLXSA-N", "SMILES:C=C1[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@H]1C(=O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1782600", "category": ["biolink:ChemicalEntity"], "name": "THEONELLASTEROL D", "xref": ["InChIKey:GAIYBUOCJZWXJP-BHOIPIFBSA-N", "SMILES:C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3[C@H](O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@]12OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1782601", "category": ["biolink:ChemicalEntity"], "name": "THEONELLASTEROL E", "xref": ["InChIKey:HPZBDDHCFKNLRL-ZHBWMGNPSA-N", "SMILES:C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3[C@H](O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1782581", "category": ["biolink:ChemicalEntity"], "name": "THEONELLASTEROL F", "xref": ["InChIKey:SZQFDIHSCUXAIC-GPENWISCSA-N", "SMILES:C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3[C@H](O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1782603", "category": ["biolink:ChemicalEntity"], "name": "THEONELLASTEROL H", "xref": ["InChIKey:JHWFNPQAVWUMPC-ZLPBCUNHSA-N", "SMILES:C=C1[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(O)[C@@H](O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)C[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1782604", "category": ["biolink:ChemicalEntity"], "name": "CONICASTEROL B", "xref": ["InChIKey:ROFASVKEULJYHH-CIKAEWNBSA-N", "SMILES:C=C1[C@@H](O)CC[C@]2(C)C3=CC[C@@]4(C)C(=CC[C@@H]4[C@H](C)CC[C@@H](C)C(C)C)C3=CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1782605", "category": ["biolink:ChemicalEntity"], "name": "CONICASTEROL D", "xref": ["InChIKey:CKFFPLRELSUIHH-XAHNCEBCSA-N", "SMILES:C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3[C@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1783717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOOJVEIBTRYSKJ-HOTGVXAUSA-N", "SMILES:NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)c(C(F)F)c1)NC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1"]}
{"name": "Protein tyrosine phosphatase type IVA 3", "xref": ["CHEMBL.TARGET:CHEMBL4162"], "id": "UniProtKB:O75365", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZQBABVXNLJIIY-LGHUBQEGSA-N", "SMILES:O=C(O)C[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJSKDTYFOQQIKZ-HZPDHXFCSA-N", "SMILES:CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CS(=O)(=O)N3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAHRSPNDVKURFK-HZPDHXFCSA-N", "SMILES:CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSULEXZPGQGIMI-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTBUJYZSGBOXED-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCXMBUYFJZRPF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(NCc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRHTPPTAUCSMP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(NCc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDSPDSFYJCDDD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(NCc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJEBDXMGQSTSRJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJSJBLTHMYPMY-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTUMSSWZEFTCDU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZNCZIIKJAMCTP-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQVFCKUDYMWGV-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BATPBOZTBNNDLN-UQKRIMTDSA-N", "SMILES:Br.CCCN(CCC)[C@H]1CCc2cccc(O)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIIAWIOHNIFBO-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCN(C)C)c3c4ccncc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBXTESBYHSATP-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCCN(C)C)c3c4ccncc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDNEZWMMJNLGF-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c(=O)c2cc(OC)c(OC)cc2c2ccc3cnccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUUTVRMZRHLOW-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCN(C)C)c3c4cccnc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZYGDAUCUARQGM-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCCN(C)C)c3c4cccnc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJLWLYAOQFDLJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c(=O)c2cc(OC)c(OC)cc2c2ccc3ncccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSAVEMRPPKLIIL-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc2c3cccnc3ccc2c2cc3c(cc12)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYCRQFIGFJGQTF-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCCN(C)C)nc3c4ccncc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSEGPOCVGMPFRU-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc2c3cccnc3ccc2c2cc3c(cc12)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8443", "category": ["biolink:ChemicalEntity"], "name": "NITIDINE CHLORIDE", "xref": ["InChIKey:QLDAACVSUMUMOR-UHFFFAOYSA-M", "SMILES:COc1cc2c[n+](C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5.[Cl-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1783542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFDSTXDZLBQEJ-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc3c(cc2c2ccc4cnccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRQPDDUBSHWQFW-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(=O)c2cc3c(cc2c2ccc4cnccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHMPFJIYHARSG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c(=O)c2cc3c(cc2c2ccc4cnccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQCJWJVDPOUQBQ-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc3c(cc2c2ccc4ncccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFWYLFYNKTPHY-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(=O)c2cc3c(cc2c2ccc4ncccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSIKXLCPZQJRNS-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c(=O)c2cc3c(cc2c2ccc4ncccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQJZMDOBOTXPP-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCCCN(C)C)nc3c4ccncc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSHMDJTPNFMQE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc2c3ccncc3ccc2c2cc(OC)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQAJOSGHOZLFQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCCN(C)C)nc3c4cccnc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDSDZFHOJSMQQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCCCN(C)C)nc3c4cccnc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGXNTJVMKMDJV-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc2c3cccnc3ccc2c2cc(OC)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJWBBFQDMXCIMF-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc2c3ccncc3ccc2c2cc3c(cc12)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFAKZCPPNZRBDZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc2c3ccncc3ccc2c2cc3c(cc12)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYRHTCLSZRKQJJ-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc2c3cccnc3ccc2c2cc3c(cc12)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNDPSBWXLXUVKK-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCCCC34CCCN3C(=O)N(CCCCN3CCN(c5cccc6ccccc56)CC3)C4=O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSGWEWBSWAVORO-UHFFFAOYSA-N", "SMILES:CCN1CCC(n2nc(Cc3cccc4ccccc34)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXUFYCPSBOYQMV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(n2nc(Cc3cccc4ccccc34)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAFRRNXZVDQBCU-XNTDXEJSSA-N", "SMILES:CC1(C)CC=C(c2ccccc2)c2ccc(C(=O)/C=C/c3ccc(C(=O)O)cc3)cc21"]}
{"name": "Retinoic acid receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL2792"], "id": "UniProtKB:P11416", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDVJEQWCQCWTG-GZTJUZNOSA-N", "SMILES:CC1(C)CC=C(C#Cc2ccccc2)c2ccc(C(=O)/C=C/c3ccc(C(=O)O)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253688", "category": ["biolink:ChemicalEntity"], "name": "R-RUGULACTONE", "xref": ["InChIKey:IRHVCJVCISOATN-KZJSRBBCSA-N", "SMILES:O=C(/C=C/C[C@@H]1CC=CC(=O)O1)CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1784748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OELGPWIIGXZCRM-PPOYIVNPSA-N", "SMILES:C/C=C1\\NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC)[C@@H](C)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1784750", "category": ["biolink:ChemicalEntity"], "name": "NOBILAMIDE B", "xref": ["InChIKey:BIFGNCSVWQWVNT-PPOYIVNPSA-N", "SMILES:C/C=C(\\NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CC)[C@@H](C)O)C(C)C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1784694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USRJTKDRTOTPRU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccn(-c3ccc(O)c([N+](=O)[O-])c3)c2-c2ccc(C(N)=O)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APARPRRWRUIPGQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccn(-c3ccc(C(=O)O)c(O)c3)c2-c2ccc(C(N)=O)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKSGCJGKPLYEOY-UHFFFAOYSA-N", "SMILES:CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGBNFYQXHBAAON-UHFFFAOYSA-N", "SMILES:CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZDCIXMNNWVGCA-UHFFFAOYSA-N", "SMILES:CCCCCCC(=O)c1c2c(nc3ccc(OC)cc13)-c1cc3c(c(=O)n1C2)COC(=O)CC3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJHJHXGTKBJIJ-UHFFFAOYSA-N", "SMILES:CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDASJFKUERVPIZ-UHFFFAOYSA-N", "SMILES:CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPLHNIZXCQRKQ-UHFFFAOYSA-N", "SMILES:CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOOMSWNMXVQXLL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCCN(CCC(O)c3csc4ccccc34)CC2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAMZZULKTZLSP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC(NCCC(=O)c3csc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMTZVARKJRJYBY-UHFFFAOYSA-N", "SMILES:O=C(CCNC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONRWJRFWOPBMP-UHFFFAOYSA-N", "SMILES:O=C(CCNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANRROVFSPTZDU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(CCC(O)c3csc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVWKSYSKYACBE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCCN(CCC(O)c3csc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPJGGUVOBLNDIY-IWPPFLRJSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CC[C@@H](NCCC(O)c3csc4ccccc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHCXTXHQPNUEGT-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLZFUNSVSSNHRB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC(NCCC(O)c3csc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSNRKPCFLXRJGN-PHEQNACWSA-N", "SMILES:COc1cccc(/C=C/C(=O)/C=C/c2cccc(OC)c2OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784538", "category": ["biolink:ChemicalEntity"], "name": "CYCLIC CRYPEVEIC", "xref": ["InChIKey:HXMLMPCZYRIEHK-SSOJLPHTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784528", "category": ["biolink:ChemicalEntity"], "name": "TURNAGAINOLIDE B", "xref": ["InChIKey:SMWGFJCKWZCJNQ-QWGWBJRGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)C[C@@H](/C=C/c2ccccc2)OC(=O)[C@H](C(C)C)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1784529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZRBTKHYPRONZ-GKJHBJHPSA-N", "SMILES:Cc1cc(O)cc2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPGSEXXDJRVMF-NRFANRHFSA-N", "SMILES:C[C@](O)(COc1cccc2ccccc12)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXKFNRTEKTGFA-QFIPXVFZSA-N", "SMILES:C[C@](O)(CS(=O)(=O)c1ccc(C#N)c2ccccc12)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCJNRNBOQWJRIM-QFIPXVFZSA-N", "SMILES:C[C@](O)(COc1ccc(C#N)c2ccccc12)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFTZZHZIMAKEH-UHFFFAOYSA-N", "SMILES:C=CCSc1ccc2c3c(cccc13)C1=NC(=O)C(C(=O)OCC)=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEEHIKQKZBQZLL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C2C(=NC1=O)c1cccc3cccc2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUFATGAKMTWYRY-UHFFFAOYSA-N", "SMILES:CCCSc1ccc2c3c(cccc13)C1=NC(=O)C(C(=O)OCC)=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXIHHWVDUDWFBT-RBPJMXTLSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@@](C)(O)[C@@H](C)CO)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784749", "category": ["biolink:ChemicalEntity"], "name": "NOBILAMIDE A", "xref": ["InChIKey:ZDZXQQBZZWAJHB-AFAPNTMHSA-N", "SMILES:C/C=C(\\NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)O"], "chembl_natural_product": true}
{"name": "Transient receptor potential cation channel subfamily V member 1", "xref": ["CHEMBL.TARGET:CHEMBL1781864"], "id": "UniProtKB:Q704Y3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRMLYVVJPGAFG-RUZYHRDJSA-N", "SMILES:CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O"]}
{"name": "Breast cancer type 1 susceptibility protein", "xref": ["CHEMBL.TARGET:CHEMBL5990"], "id": "UniProtKB:P38398", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZSRGVDFKUWJHP-MUGJNUQGSA-N", "SMILES:CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNVSMDZIXWGCJ-MUGJNUQGSA-N", "SMILES:CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLFQSJTVQZCKBB-UHFFFAOYSA-N", "SMILES:O=c1c(Cl)c(OCc2ccc(F)cc2F)cc(CO)n1-c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFIVNQRKHWCDQO-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPNIQGRFZCTBEZ-SPTGULJVSA-N", "SMILES:C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1795871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYQOYHREUKLDAM-NYFMKLKXSA-N", "SMILES:COc1cccc(CNC[C@H](Cc2ccccc2)n2cc(-c3cc(C(=O)N[C@H](C)c4ccccc4)cc(N(C)S(C)(=O)=O)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUGXFYQRWKLPE-HPMVVLTCSA-N", "SMILES:C[C@@H](NC(=O)c1cc(-c2cn([C@H](CNCc3cccc(Br)c3)Cc3ccccc3)nn2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUGFNHQZILQKGD-NOECDHMVSA-N", "SMILES:C#Cc1cccc(NC2CC(O)C(Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)CC2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQZRUPTXKMEGE-NOECDHMVSA-N", "SMILES:C#Cc1cccc(NC2CC(Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C(O)CC2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297569", "category": ["biolink:ChemicalEntity"], "name": "BETA-ALANINE", "xref": ["InChIKey:UCMIRNVEIXFBKS-UHFFFAOYSA-N", "SMILES:NCCC(=O)O"], "chembl_natural_product": true}
{"name": "Pantothenate synthetase", "xref": ["CHEMBL.TARGET:CHEMBL6069"], "id": "UniProtKB:P9WIL5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1794671", "category": ["biolink:ChemicalEntity"], "name": "PANTOIC ACID", "xref": ["InChIKey:OTOIIPJYVQJATP-BYPYZUCNSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2109483", "category": ["biolink:ChemicalEntity"], "name": "SC-1", "synonym": ["SC-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFGJNKDWNKKRQ-GOSISDBHSA-N", "SMILES:CC(C)(O)[C@H]1Cc2cc3cc(-c4ccc(O)cc4)oc3cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWKSRFQZNNYNH-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCC(=O)N1CC[N+](C)(C)CC1.[I-]"]}
{"name": "Rho-related GTP-binding protein RhoB", "xref": ["CHEMBL.TARGET:CHEMBL1795102"], "id": "UniProtKB:P62745", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBUQUXWCCAKITH-UHFFFAOYSA-M", "SMILES:C=CC[N+]1(CC)CCN(C(=O)CCCCCCCCCCCCCCCCCCCCC)CC1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHERAUJHXZQAMA-UHFFFAOYSA-M", "SMILES:C=CC[N+]1(C)CCN(C(=O)CCCCCCCCCCCCCCC)CC1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAAWLDLGVLHAAX-UHFFFAOYSA-M", "SMILES:C=CC[N+]1(CC)CCN(C(=O)CCCCCCCCCCCCCCC)CC1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQQNWFNDKBVFS-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCCCCC(=O)N1CC[N+](C)(C)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDKVORVYZRIQS-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCC(=O)N1CC[N+](C)(C)CC1.[I-]"], "synonym": ["NSC-126188"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVBBGCVQJOXPSS-YLCXLZIYSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OCCn3cc(COCCCCCCCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nn3)c(OC)c2)cc(OC)c1OC"]}
{"name": "Far upstream element-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL1795105"], "id": "UniProtKB:Q92945", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNSZBNRYKYIQK-KQQUZDAGSA-N", "SMILES:COCOc1cc(/C=C/C(=O)/C=C/c2cc(OCOC)cc(OCOC)c2)cc(OCOC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTIJPWCPKXBBCV-UHFFFAOYSA-L", "SMILES:O=S1(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc(cc2)S(=O)(=O)c2ccc(cc2)C[n+]2ccn(c2)Cc2ccc1cc2.[Br-].[Br-]"]}
{"name": "Gyrase B", "synonym": ["DNA topoisomerase (ATP-hydrolyzing)"], "xref": ["CHEMBL.TARGET:CHEMBL1795106"], "id": "UniProtKB:Q6S6F1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIDKBVUPTKAMRH-UHFFFAOYSA-L", "SMILES:O=C1c2ccc(cc2)C[n+]2ccn(c2)Cc2ccc(cc2)S(=O)(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc1cc2.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWZGSYWJERBXQK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJBXZSGPFEYDT-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKXISESEKHAPIF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDUTTSAEDVQTG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESHRHVYCSRGQP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCBMLYCDKPXHAI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQAVJIADISQYHS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(O)=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFIMTWGBTXSGMG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCC(O)=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUEJPRJDEPOCFY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC(Cl)=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNIVDJDPYNSRT-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC=C1C(=O)OC(C)(C)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEMXXKKYLJBLZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC1C(=O)OC(C)(C)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZUDMAVNMFRIS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(C)=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRAIBTSWQVPGKA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC(C)=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJXXIUWOBBUWMS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCNC=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJXMEUWBLHDJA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC(O)=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEABOYSRXNIDQI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNCRYVYEGKPQM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC=C(C(C)=O)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHOYZEPHJFVHSU-SHNSUYAESA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](COCc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1)C(=O)O"]}
{"name": "M-phase inducer phosphatase 2", "xref": ["CHEMBL.TARGET:CHEMBL4804"], "id": "UniProtKB:P30305", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKVTAKWTSZFNW-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S+]2[O-])C1CCCCC1"]}
{"name": "L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase", "xref": ["CHEMBL.TARGET:CHEMBL1744527"], "id": "UniProtKB:P9WJM9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSUUEKWKDDDHRP-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)N2N=C(c3ccccc3)CC2c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHFESQCXYMYGB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)N2N=C(c3ccccc3)CC2c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTRZCZVFDBAVCO-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)N2N=C(c3ccccc3)CC2c2ccccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBOJLOJVNDFMK-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=S)N2N=C(c3ccccc3)CC2c2ccccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZGVZXBLXZBTLX-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=S)N1N=C(c2ccccc2)CC1c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAGPQITQQIPRY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=S)N1N=C(c2ccccc2)CC1c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHADLJNBNHSVPJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)N2N=C(c3ccccc3)CC2c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUFNGWHOQUAHRK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)N2N=C(c3ccccc3)CC2c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGAOLDNWXUYTP-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)N2N=C(c3ccccc3)CC2c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WASIEEJVAZCJFG-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=S)N2N=C(c3ccccc3)CC2c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSEHQBFLVUFLOM-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=S)N1N=C(c2ccccc2)CC1c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KESGLFNHKMYUHD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=S)N1N=C(c2ccccc2)CC1c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YULVRNZIINHBGI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(c3ccccc3)=NN2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYSLZCUWBROPT-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccccc2)CC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCVHAZPMDTXWOY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLBSYYFHULBMX-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccccc2)CC1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKKWZVDWNDOIO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(c3ccccc3)=NN2C(N)=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUHBVOARWDKKJ-UHFFFAOYSA-N", "SMILES:NC(=S)N1N=C(c2ccccc2)CC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTPUPBFMBAESEN-UHFFFAOYSA-N", "SMILES:NC(=S)N1N=C(c2ccccc2)CC1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBZBISQLKMVIP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(c3ccccc3)=NN2C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMWXHHKHCCQXSZ-UHFFFAOYSA-N", "SMILES:N=C(N)N1N=C(c2ccccc2)CC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYKXXWDIZKGVQR-UHFFFAOYSA-N", "SMILES:N=C(N)N1N=C(c2ccccc2)CC1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL357047", "category": ["biolink:ChemicalEntity"], "name": "ALDISIN", "xref": ["InChIKey:AAPGLCCSVSGLFH-UHFFFAOYSA-N", "SMILES:O=C1CCNC(=O)c2[nH]ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1796985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWBQIDXKGHXFO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNPBCVIMCREMEP-UHFFFAOYSA-N", "SMILES:O=C1CCNC(=O)c2c1ccn2Cc1ccc(-c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NREDRUXWMYFCGM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHWLMOWEOCFERZ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJLWSPYJADFRCA-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHYGGLMMKMEJP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(Cn3ccc4c3C(=O)N(C)CCC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRFGQFHWADPGFK-BGABXYSRSA-N", "SMILES:COc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCC/C4=N\\Nc3ccccn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFXSGNXICHOBJG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(Cn3c4c(c5ccccc53)C(=O)CCNC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRIWIRSMQRQYJG-DLBZAZTESA-N", "SMILES:CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLAPPLGBUXEDV-JJFYIABZSA-N", "SMILES:Cc1ccc(S(=O)(=O)Oc2cc(OCc3ccc(C(F)(F)F)cc3)c(/C=C3\\SC(=O)NC3=O)cc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZRDTEBLFOXQQJ-UUASQNMZSA-N", "SMILES:O=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1668301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWVNIGLANOQIG-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccnc1)c1cc2ccccc2[nH]1"], "synonym": ["ZINC 00387478"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYOLSHSTDAURSO-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCCC1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPCMSUKANRNFQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cncnc2)oc2c(O)c(O)ccc12"]}
{"name": "BDNF/NT-3 growth factors receptor", "xref": ["CHEMBL.TARGET:CHEMBL1795111"], "id": "UniProtKB:Q63604", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPAYCZOHGRSGJS-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc(=O)c3ccc(O)c(O)c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJRQQECDVUXBCO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)cc(-c3ccccc3)oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL243663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFKWMXGTOJNRX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)cc(-c3ccccc3)oc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL75267", "category": ["biolink:ChemicalEntity"], "name": "7,8-DIHYDROXYFLAVONE", "xref": ["InChIKey:COCYGNDCWFKTMF-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1801219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSPBIBCLZDBBS-UHFFFAOYSA-N", "SMILES:COc1c2cc(Cn3ccnc3)cc1Cc1cc(Cn3ccnc3)cc(c1OC)Cc1cc(Cn3ccnc3)cc(c1OC)Cc1cc(Cn3ccnc3)cc(c1OC)Cc1cc(Cn3ccnc3)cc(c1OC)Cc1cc(Cn3ccnc3)cc(c1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQVXWIUVAILQRH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL244707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGZYXRWZXMYBZ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2O)oc2c(O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL225513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJZSQGDOCUHCCW-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(O)c2)oc2c(O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL420982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCIUNMVLYBADX-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL253786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYARIVMCYYQNNQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(O)c2)oc2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL485250", "category": ["biolink:ChemicalEntity"], "name": "NORWOGONIN", "xref": ["InChIKey:ZFKKRRMUPBBYRS-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2c(O)c(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1224403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDYHNWYIGCMVMF-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccccc2O)oc2c(O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL210276", "category": ["biolink:ChemicalEntity"], "name": "3,7-DIHYDROXYFLAVONE", "xref": ["InChIKey:UWQJWDYDYIJWKY-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccccc2)oc2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL253570", "category": ["biolink:ChemicalEntity"], "name": "GOSSYPETIN", "xref": ["InChIKey:YRRAGUMVDQQZIY-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12"], "synonym": ["Articulatidin", "Equisporol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL300814", "category": ["biolink:ChemicalEntity"], "name": "FLAVANONE", "xref": ["InChIKey:GSAOUZGPXSGVRS-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(O)c(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1801016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQLFNHURAYJDR-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(O)c2)oc2cc(O)c(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1800936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRXJKMLZFERKO-KDOFPFPSSA-N", "SMILES:CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJIBAQPGIKFZRA-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSXDCXKRVCLDQH-UHFFFAOYSA-N", "SMILES:CCCCn1cc(CCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1807061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSPRNADVQNDOU-UHFFFAOYSA-N", "SMILES:CC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL261696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQDLJXVQRWEON-YEFHWUCQSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259223", "category": ["biolink:ChemicalEntity"], "name": "MENATETRENONE", "xref": ["InChIKey:DKHGMERMDICWDU-GHDNBGIDSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O"], "synonym": ["Menatetrenone", "Menatetrenone", "Menatetrenona", "Menaquinone 4", "Kaytwo", "Kaytwo n", "Menatetranone", "Menatetrenone", "Vitamin k2(20)", "Menaquinone-4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL230390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBFMYJUEVJEKQ-GGQZXFEVSA-N", "SMILES:CC1=C(C/C=C(\\C)CC/C=C(\\C)CO)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSKVOGKXFQGSMT-OSWOODOJSA-N", "SMILES:CC1=C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CO)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPXZMNAKSDAWRS-PUTDXGHDSA-N", "SMILES:CC1=C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CO)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHZFLWVTEMALSW-OKZVYFILSA-N", "SMILES:CC1=C(C/C=C(\\C)CC/C=C(\\C)Cc2ccccc2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZFJNVJDMQUCKK-DLPCWNPKSA-N", "SMILES:CC1=C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)Cc2ccccc2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL263382", "category": ["biolink:ChemicalEntity"], "name": "MENAQUINONE-2", "xref": ["InChIKey:PTWSIIUEOFZCHW-NTCAYCPXSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL599406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEUCPOFSQRVKY-VBKFSLOCSA-N", "SMILES:O=C1N=C(O)S/C1=C\\c1ccc(OCCC2CCCCC2)cc1"]}
{"name": "15-hydroxyprostaglandin dehydrogenase [NAD(+)]", "xref": ["CHEMBL.TARGET:CHEMBL1293255"], "id": "UniProtKB:P15428", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFPRDWFDSQKAG-ATVHPVEESA-N", "SMILES:COc1cc(/C=C2\\SC(=O)NC2=O)ccc1OCCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBBGLVJTGXKCHY-WJDWOHSUSA-N", "SMILES:O=C1N=C(O)S/C1=C\\c1ccc(OCCC2CCCCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNJXJDRXWLCJSS-WJDWOHSUSA-N", "SMILES:O=C1N=C(O)S/C1=C\\c1ccc(OCCC2CCCCC2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKHNBDRVSLZKI-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(c2cn(C)c3ccccc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDEKCICSIPDOQM-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(C(=O)CBr)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRBMJNHZKCHCFI-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(c2c[nH]c3ccccc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPNDMIAMMFHFB-UHFFFAOYSA-N", "SMILES:O=C(CBr)C1=C(c2c[nH]c3ccccc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKYMNYVMRXCALJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cnc3cc(C(=O)CBr)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFPUNJFXZBNQQH-COGSUIBOSA-N", "SMILES:COC(=O)COc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1"]}
{"name": "Retinol-binding protein 4", "xref": ["CHEMBL.TARGET:CHEMBL3100"], "id": "UniProtKB:P02753", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL58106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJHMTWEGVYYSE-DRYRGIGMSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL245546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBQHWMPFMCOGIW-ABRSJASVSA-N", "SMILES:COc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJAISKMROCSBOJ-KFPLCPJJSA-N", "SMILES:COc1cccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBMIZNZDEUGMDA-CDNNLSPMSA-N", "SMILES:COc1cc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOOSIIKTOPOTGM-BMOVYMEHSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc3c(c2)OCO3)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLCAFUNHGXQEGI-COGSUIBOSA-N", "SMILES:COc1ccc(CNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQGSQPYILDYRP-QYOMYCIVSA-N", "SMILES:COc1cccc(CNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APBWYVCKCNZYRZ-SLZPJANQSA-N", "SMILES:COc1ccccc1CNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJTPUBKEZDJSGE-SJVQAJNUSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCc2ccc(Oc3ccccc3)cc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXFIWLZPGLFSQ-PPBWNBFDSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCc2ccc(F)cc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJTVRVSZIGAQD-PPBWNBFDSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCc2ccc(Cl)cc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLSCUJQJQVLIK-TTXBIKQHSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCc2ccc3c(c2)OCO3)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLGLFJYSDKIHV-SLVFGEMDSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC(Cc3ccccc3)CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABLHXYIGRFMVBV-PDEPQOKISA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC3CCCCC3C2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGUBXOKOZHFBC-CDHJXQANSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCCC3CCCCC32)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQPYPBDMOCLIQR-ATICBFIGSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCN(c3ccc(C)cc3)CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODRSNVLBJMIFFC-XGOOJIEDSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC(CCO)CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZBDEJZVPIQGSN-YRJJDNPASA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCCOCC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQZICWUGFILLR-DZBDEXCTSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCC(O)CO)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDBJOBIIFQIPK-QOUPNPLKSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCC2CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPKYTDRSOBFUFQ-QAQKZGPJSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCOc2ccccc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSKBVEMVSSBRAT-COIZJCGZSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCC(C)(C)C)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMIFAUNRYQKLN-IMLUBWEFSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC2CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMPYJWPIUSLEO-GFDJYDRDSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC2CCCCC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUXHEMMWYKMRG-DXJCHIHNSA-N", "SMILES:CCOC(=O)CNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOSHOGBFUULHNI-LYKFAKFTSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCO)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGAJWRROZZVGE-ADTWTRTMSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCc2ccccn2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMPYUKJSVXVTPE-UEGUQXGGSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCc2cccnc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTROBGWAVUABT-SFZCRTJJSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCS(=O)(=O)CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRTHVFQGNJHVMW-XTFGDOQJSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC(O)(c3ccccc3)CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVYEMDDHRYSGF-CICHKUIQSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCCCCC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNUOPFMFITYIH-SFZCRTJJSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC(F)CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZKVSRAQSNCSDH-SFZCRTJJSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC(F)(F)CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL245544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPUUIKWNIXVQAO-GFDJYDRDSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccccc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL245740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVFTYCSIFKPEZ-FSDIUQKZSA-N", "SMILES:CCOc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHLCOZBRFKWUIR-XEEBGOHYSA-N", "SMILES:COCCOc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBHAXNBMYIYMKX-SLZPJANQSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCc2ccccc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDUHIFYGOKQTJ-COIZJCGZSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCCCC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHPKRVYZMVFULC-SFZCRTJJSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCOCC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLPCRSXXDIRLB-SFZCRTJJSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC(O)CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVHJOFDVVBOJP-PPBWNBFDSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(OCC(=O)O)cc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVOYHLSAVZJCLR-LDKAMJJYSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRFFOXGCSKBYPF-SLAFYWLJSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJLQNNZRKIGLT-ZXDGHIQHSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(OCC(=O)NCCO)cc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDJTOPCDKTLHE-UHFFFAOYSA-N", "SMILES:CC(CCCC(C)CC(=O)Nc1ccc(O)cc1)CCC1C(C)CCCC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MILMRFNLYUZXPC-FSDIUQKZSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(N(C)C)cc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGFUCORRJXWOBJ-PQEHHWQQSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(Br)c2)CN(Cc2cccc(Cl)c2)C/C1=C\\c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMCNZNWYMGFVDY-CLVAPQHMSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(Br)c2)CN(CC(=O)c2ccccc2)C/C1=C\\c1ccc(O)c(Br)c1"]}
{"name": "Protein arginine N-methyltransferase 3", "xref": ["CHEMBL.TARGET:CHEMBL5891"], "id": "UniProtKB:O60678", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHNXMQGGNTBDO-MKICQXMISA-N", "SMILES:O=C(O)/C=C/c1cccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cccc(/C=C/C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFNAZDFZWMBOW-UHFFFAOYSA-N", "SMILES:O=C1C=C(Nc2cccc3cc(S(=O)(=O)O)ccc23)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLINFGQSAXACLV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGPHHJBZEGSUNE-JYRVWZFOSA-N", "SMILES:O=C1NC(Nc2ccccc2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"name": "Dual specificity protein kinase CLK3", "xref": ["CHEMBL.TARGET:CHEMBL4226"], "id": "UniProtKB:P49761", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEPHEVMRHYRRLS-GHXNOFRVSA-N", "SMILES:O=C1Nc2ccc(C(=O)CCl)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWJAATQOHSNKKF-JYRVWZFOSA-N", "SMILES:C#CC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDZOPPCXQXPRKH-ZHACJKMWSA-N", "SMILES:COc1ccccc1C(=O)/C=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEZQQOPCGJRMDS-IPBJYNAHSA-N", "SMILES:COc1ccc(Nc2nc3cc4c(=O)cc(-c5ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc5)oc4cc3n2[C@H](C)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDQGSQOIWVSUFW-PMERELPUSA-N", "SMILES:CC(C)CNc1nc2cc3c(=O)cc(-c4ccc(C(=O)N[C@@H](Cc5ccccc5)C(N)=O)cc4)oc3cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKRHXHJPJWNMX-KOSHJBKYSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccc(-c2cc(=O)c3cc([N+](=O)[O-])c(N[C@H](C)C4CCCCC4)cc3o2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQGBTJIWXDXDG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2c(c1)[nH]c1cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHGCGBWWTVTTL-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc3c(cc2N1)[nH]c1cc(C(F)(F)F)ccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801596", "category": ["biolink:ChemicalEntity"], "name": "SODIUM MOLYBDATE"}
{"id": "CHEMBL.COMPOUND:CHEMBL1800731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECZZLGHVJQSIA-DOYPJHNISA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCOC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1628684", "category": ["biolink:ChemicalEntity"], "name": "[3H]-ZM-241385", "xref": ["InChIKey:PWTBZOIUWZOPFT-XHHURNKPSA-N", "SMILES:[3H]c1cc(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOHOVJKNQNTSOG-UHFFFAOYSA-N", "SMILES:Cc1cccc(NCCC2(c3ccccc3)CCOC(C)(C)C2)c1"]}
{"name": "Protein-S-isoprenylcysteine O-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4699"], "id": "UniProtKB:O60725", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIOVGRXEBWMUQT-GDLZYMKVSA-N", "SMILES:CSCC[C@@H](NC(=O)c1ccc(CNCc2c[nH]cn2)cc1-c1ccccc1C)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGLCGCXQQDBYKJ-UHFFFAOYSA-N", "SMILES:COc1cccc(NCCC2(c3ccccc3)CC(C)(C)OC(C)(C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLFMQBZRZIATAG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(CCNc2ccccc2)(c2ccccc2)CC(C)(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800285", "category": ["biolink:ChemicalEntity"], "name": "MSD-M1PAM", "xref": ["InChIKey:RJTJRVASUFIDQM-UHFFFAOYSA-N", "SMILES:N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBOCDKFRGBOOFO-UHFFFAOYSA-N", "SMILES:COc1ccnc(CCc2nc3cccnc3[nH]2)c1"], "synonym": ["BYK-191023"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGDWTNPYLCZUAR-QZIRHQCUSA-N", "SMILES:CN(C)c1ccc(-c2cnc3cc([125I])ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUGBRHEHAGOFV-HOTGVXAUSA-N", "SMILES:CC(C)c1cc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL78920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGHIGVFLOPEHJ-BYPYZUCNSA-N", "SMILES:O=C(O)[C@@H]1C=CCN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1800368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUTQNQZOJMPXNQ-BYPYZUCNSA-N", "SMILES:O=C(O)[C@@H]1CC(=S)CN1"]}
{"name": "Hypoxia-inducible factor 1-alpha inhibitor", "xref": ["CHEMBL.TARGET:CHEMBL5909"], "id": "UniProtKB:Q9NWT6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZVOKXQPGIDGBV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)CSc2nc(C)cc(O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAHWQBNOHNABSP-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSOOGNXOIZVRB-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADWYGOARTPQGIL-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1807163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRQGZDMVZJYLRF-DOEKTCAHSA-N", "SMILES:C=C[C@@]1(C)CC[C@](C)(C(C)C)c2cc3c4c(c[nH]c4c21)CC(=O)NC(=O)[C@H](C(C)C)N3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488007", "category": ["biolink:ChemicalEntity"], "name": "TELEOCIDIN B", "xref": ["InChIKey:PEYTUVXFLCCGCC-YYGVREGISA-N", "SMILES:C=C[C@]1(C)CC[C@@](C)(C(C)C)c2cc3c4c(c[nH]c4c21)C[C@@H](CO)NC(=O)[C@H](C(C)C)N3C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1807060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDZYPJCOQZSKSE-UHFFFAOYSA-N", "SMILES:CC(C)=CCC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1807063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLKWKUSIMPBIK-GJHDBBOXSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC1=C(C/C=C(\\C)CCC=C(C)C)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1807273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANLGSZHSYWTWCO-WXFUMESZSA-N", "SMILES:CN(C)[C@H]1CC[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(F)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1807358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVEAEGFHZKFQRF-XRDCRWNKSA-N", "SMILES:C=CC1=C(C)c2cc3[nH]c(c4c5nc(cc6[nH]c(cc1n2)c(C)c6CC)C(C)=C5C(=O)C4)[C@@H](CCC(=O)OCCC#C[C@]1(O)CC[C@H]2[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]21C)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1806815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZCWZWXMOQHKL-LVHRIDKPSA-N", "SMILES:COc1ccccc1N1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc([18F])cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1806816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUULRXKFXMSFSP-SCADIAGYSA-N", "SMILES:COc1ccccc1N1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccccc2[18F])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1806998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILNHWWYONWLTK-OZHKFCEWSA-N", "SMILES:C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2c4ccccc4cc4ccccc24)=NO3)[C@]2(C)C(=O)C=C[C@@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUZRZOGJMYSPPW-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(F)cc2sn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZBNNQOCGAOGE-UHFFFAOYSA-N", "SMILES:COC(=O)c1nn(C(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSOCPVJALRMLO-UHFFFAOYSA-N", "SMILES:COC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEBRMDOKWTVVIE-UHFFFAOYSA-N", "SMILES:CCCC(=O)n1nc(C(=O)OCC)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKJXHVLRWAFLW-UHFFFAOYSA-N", "SMILES:COC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUVRJMZAVSFWPS-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1nn(C(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRSNFZZDYDJHIZ-UHFFFAOYSA-N", "SMILES:O=C(OCC(F)(F)F)c1nn(C(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWIOXGUKUPWQZ-ZBYYUNFXSA-N", "SMILES:C[C@]1(c2cccc(NS(C)(=O)=O)c2)[C@@H]2CN(CCCc3ccccc3)C[C@@H]21"]}
{"name": "Cytochrome P450 2D15", "xref": ["CHEMBL.TARGET:CHEMBL1795137"], "id": "UniProtKB:Q29473", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POMJOGCHVYMMPX-GNXJLENFSA-N", "SMILES:CN(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUVQRHMVRFZUGP-IKJKNFHUSA-N", "SMILES:Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(-c4ccc(Cl)cc4)no2)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRBLLVZKJPIGTA-KUEBVMAWSA-N", "SMILES:CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@H]3N=C(N(C)C)O[C@H]3[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(=O)CCSSCCNC(=O)C(CCCCNC(=O)CCCCC2SCC3NC(=O)NC32)NC(=O)c2ccc(N=[NH+][NH-])cc2)[C@H]1O"]}
{"name": "Chitinase-like protein 3", "xref": ["CHEMBL.TARGET:CHEMBL1795141"], "id": "UniProtKB:O35744", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGPITOQSLNWUEO-AIYNMNRNSA-N", "SMILES:CNC1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(=O)CCSSCCNC(=O)C(CCCCNC(=O)CCCCC4SCC5NC(=O)NC54)NC(=O)c4ccc(N=[NH+][NH-])cc4)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1"]}
{"name": "Alpha-1-antiproteinase", "xref": ["CHEMBL.TARGET:CHEMBL1795142"], "id": "UniProtKB:P26595", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10089"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDIWURSNQOTKKY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccn2)C(c2ccc[nH]2)C(C(=O)Nc2ccccn2)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMEUGFNXRYBLOH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMAQYICGLYMYIR-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJIJIFCXUKGQF-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMJAJFVLHDIEHF-CRBRZBHVSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL267373", "category": ["biolink:ChemicalEntity"], "name": "BENZAMIDE", "xref": ["InChIKey:KXDAEFPNCMNJSK-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1"], "chembl_natural_product": true}
{"name": "Poly(ADP-ribose) glycohydrolase", "xref": ["CHEMBL.TARGET:CHEMBL1795143"], "id": "UniProtKB:Q86W56", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOMPUZXCBIRZNV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFSGAFTJAINNF-JFMUQQRKSA-N", "SMILES:CC1(C)C=C(CN2C/C(=C\\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)C(C)(C)N1[O]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYDBIZIVMCEYKP-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OC=C3c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBVJCNITHPHOKX-UHFFFAOYSA-N", "SMILES:CC1(OC(=O)c2ccccc2)COC2=C(Cl)C(=O)C(=O)c3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDWDXXNSYDIZST-UHFFFAOYSA-N", "SMILES:O=C1C=C2OCC(O)(c3ccc(F)cc3)c3cccc(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWIAICGWVZLAEW-UHFFFAOYSA-N", "SMILES:O=C1C=C2OCC(O)(Cc3ccccc3)c3cccc(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDIELBVKBYKKJ-UHFFFAOYSA-N", "SMILES:O=C1C=C2OCC(O)(c3ccccc3)c3cccc(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOSMEHKVJXEEK-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OCC3(O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPYBPXHFDKODK-UHFFFAOYSA-N", "SMILES:C=CCC1(O)COC2=C(Cl)C(=O)C(=O)c3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSBHYZDFZDLDBB-UHFFFAOYSA-N", "SMILES:CCCC1(O)COC2=C(Cl)C(=O)C(=O)c3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJUCYNSHLVLWTD-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OCC3(O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVVFQDDSUGABF-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OCC3(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGOWCHWGZDAAB-UHFFFAOYSA-N", "SMILES:CC1(O)COC2=C(Cl)C(=O)C(=O)c3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197655", "category": ["biolink:ChemicalEntity"], "name": "MANSONONE F", "xref": ["InChIKey:WSRLWSPFIOAYST-UHFFFAOYSA-N", "SMILES:CC1=COC2=C(C)C(=O)C(=O)c3c(C)ccc1c32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1812142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVUHURZJJNYKT-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OC=C3Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWYYKTVJZWAQNO-UHFFFAOYSA-N", "SMILES:CCCC1=COC2=C(Cl)C(=O)C(=O)c3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTCAISUIYLUFAH-UHFFFAOYSA-N", "SMILES:C=CCC1=COC2=C(Cl)C(=O)C(=O)c3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHKADTAKPALITG-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OC=C3c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJKSVJHVJCCGTC-UHFFFAOYSA-N", "SMILES:O=C1C=C2OC=C(c3ccccc3)c3cccc(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQCFDQZPRMILRT-UHFFFAOYSA-N", "SMILES:O=C1C=C2OC=C(Cc3ccccc3)c3cccc(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLWGLBUZWCXLO-UHFFFAOYSA-N", "SMILES:O=C1C=C2OC=C(c3ccc(F)cc3)c3cccc(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVXEALGEXVSCF-JYRVWZFOSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)Oc2cccc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1442950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIAAVMJLAGNUKW-VQVVXJKKSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1812010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKXTXFLPVZGEII-UHFFFAOYSA-M", "SMILES:CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)cc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSDFIHRUQVWHKK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBCSBLGBURCQH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWHMDUIJNXXDEB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBOOSARUPNPEOE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ncnc3occ(-c4ccccc4)c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPSPRDOJXOCMOD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ncnc3occ(-c4ccc(F)cc4)c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1811988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMAVFZDBSSUKSB-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccccc3OC)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADMMGQSIWCCWJV-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)c2cc(Oc3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFVSHNEDYHCJD-VAWYXSNFSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccccc2)n1C"]}
{"name": "Angiotensin-converting enzyme", "xref": ["CHEMBL.TARGET:CHEMBL4074"], "id": "UniProtKB:P12822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRZQLBFOOSDSBP-BUHFOSPRSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc3c(c2)c2ccccc2n3C)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YASPCWGOMIHFFE-VAWYXSNFSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc3oc4ccccc4c3c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAYDBCNBECNFGY-OUKQBFOZSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc3cc4ccccc4cc3c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTKNALMJPXFAE-MDZDMXLPSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2cccc(Br)n2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTZRUKWNRFLOV-CMDGGOBGSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2cccnc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDXZCFQQOCADO-CMDGGOBGSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccco2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIFKTWNWDOSTK-VOTSOKGWSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc(Br)s2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFCEOMPBYCRNC-VOTSOKGWSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc(Cl)s2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUBGQDLCNDIXOO-CMDGGOBGSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2cccs2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDGDKNMANJFIEV-BUHFOSPRSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2cccc3ccccc23)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZSMCMUMZCHBD-OUKQBFOZSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc3ccccc3c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKPFLTQWAXYLKC-MDZDMXLPSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXUNJSELUMSHA-ZHACJKMWSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBZPZLDDYRPNQO-VAWYXSNFSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc(OC)cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIAWQPZFVFUVBQ-VAWYXSNFSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc(C)cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKFIQFXITUYGV-CMDGGOBGSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc[nH]2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJIBRGNYUJUGAB-VAWYXSNFSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc3sc4ccccc4c3c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373114", "category": ["biolink:ChemicalEntity"], "name": "LAMELLARIN D", "xref": ["InChIKey:ATHLLZUXVPNPAW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCQMQAQWGPXHS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c3n(c(=O)c4c2c2cc(OC)c(O)cc2n4C)COc2cc(O)c(OC)cc2-3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1369893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXNORPUTBBNSC-UHFFFAOYSA-N", "SMILES:CCC(=O)NC(c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1573436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREDZQWTOHKXRX-UHFFFAOYSA-N", "SMILES:CC(=O)NC(c1cccs1)c1cc(Br)c2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFEYCURNWWBNQK-FHWLQOOXSA-N", "SMILES:CC(=O)NCCC[C@H](NC(=O)[C@H](CCCCNC(N)=S)NC(=O)[C@H](CCCNC(C)=O)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VALXXUGYOUKCIH-CMDGGOBGSA-N", "SMILES:COc1cc(OC)c(C(=O)/C=C/c2ccccc2Cl)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1818142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLWRHXNPCCRHCB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OP(=O)(O)O)ccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818143", "category": ["biolink:ChemicalEntity"], "name": "FLUORESCEIN DIPHOSPHATE", "xref": ["InChIKey:IMZBXSAKACGTPH-UHFFFAOYSA-N", "SMILES:O=C1OC2(c3ccc(OP(=O)(O)O)cc3Oc3cc(OP(=O)(O)O)ccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSJHROYAOSBNKE-XJUFJQLESA-N", "SMILES:CC(C)(C)C(=O)c1cc(CO[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETOWROVHZHKMD-GQNYQOPPSA-N", "SMILES:O=C(CCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHHITLCVSCSYOW-LZCJDGIFSA-N", "SMILES:O=C(NCc1cn([C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1)c1cc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314358", "category": ["biolink:ChemicalEntity"], "name": "LACTOSE, ANHYDROUS", "synonym": ["Anhydrous lactose", "Lactose", "Anhydrous lactose", "Lactopress anhydrous", "Lactose anhydrous", "Lactose, anhydrous", "Lactose,anhydrous", "Lactose-electricitas", "Lactosum, anhydrous", "Saccharum lactis", "Supertab 21an", "Supertab 22an", "Supertab 24an", "Anhydrous lactose"]}
{"name": "Galectin-9", "xref": ["CHEMBL.TARGET:CHEMBL5474"], "id": "UniProtKB:O00182", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGKXYYRXSKCYSB-FQHZWJPGSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1ccc(O)cc1)=N/O)/C(Cc1ccc(O)cc1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYJTYZZXSCCGPG-FQHZWJPGSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1cccc(O)c1)=N/O)/C(Cc1cccc(O)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNHRRDAGELSCIC-FQHZWJPGSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1ccccc1)=N/O)/C(Cc1ccccc1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFSLLOUWOAFXAJ-XUIWWLCJSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1ccc(O)c(F)c1)=N/O)/C(Cc1ccc(O)c(F)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDXEHZNVAZAQS-XUIWWLCJSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1ccc(O)c(Cl)c1)=N/O)/C(Cc1ccc(O)c(Cl)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSIMJCINDNHQJ-XUIWWLCJSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1ccc(O)c(I)c1)=N/O)/C(Cc1ccc(O)c(I)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRFXDOWGJSLTD-YAGSLNJISA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1cc(Br)c(O)c(Br)c1)=N/O)/C(Cc1cc(Br)c(O)c(Br)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTDUNCYVBWOAQ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(O)c(Br)c1)NCCSSCCNC(=O)CCc1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265502", "category": ["biolink:ChemicalEntity"], "name": "SURAMIN", "xref": ["InChIKey:FIAFUQMPZJWCLV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1"], "synonym": ["Farma", "Fourneau", "Metaret", "Naganol", "Suramin", "Suramine", "FARMA-939", "NSC-34936"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1817949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJACODUUNZJCO-WNSRFTAOSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](C)[C@@H](O)[C@@H]1O"]}
{"name": "Beta 1,3 N-acetylglucosaminyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL1795154"], "id": "UniProtKB:Q8KHG4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:487"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7917", "category": ["biolink:ChemicalEntity"], "name": "TYRPHOSTIN AG-1478", "xref": ["InChIKey:GFNNBHLJANVSQV-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1817965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIYNCLUPGLBENL-FJPKWDFVSA-N", "SMILES:C/C=C(\\C)[C@H](O)[C@H](C)/C=C(C)/C=C/CC(C)/C=C/c1oc(OC)c(C)c(=O)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1817964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWRGLWOOQKCCY-UNNKBTQVSA-N", "SMILES:C/C=C(\\C)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)/C=C(C)/C=C/CC(C)/C=C/c1oc(OC)c(C)c(=O)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1817966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWLIPXWCCRKLN-PADIHOPFSA-N", "SMILES:C/C=C(\\C)C(O)C(C)/C=C(C)/C=C/CC(C)/C=C/c1oc(OC)c(CC)c(=O)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL509502", "category": ["biolink:ChemicalEntity"], "name": "ACACIIN", "xref": ["InChIKey:YFVGIJBUXMQFOF-PJOVQGMDSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1818725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLVYOUORNHOLU-UQAMUYQTSA-N", "SMILES:COc1ccc(/C=C/[C@H]2CCC=C[C@@H]2c2ccc(OC)c(OC)c2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1818727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLVYOUORNHOLU-UZOQORDWSA-N", "SMILES:COc1ccc(/C=C/[C@@H]2CCC=C[C@H]2c2ccc(OC)c(OC)c2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1818726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLVYOUORNHOLU-FIYBRGMWSA-N", "SMILES:COc1ccc(/C=C\\[C@H]2CCC=C[C@@H]2c2ccc(OC)c(OC)c2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1817787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQFLSBOEQVNAM-DHDCSXOGSA-N", "SMILES:CN(C)c1ccc(/C=C2\\C(=O)Nc3ccc(I)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL296455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKWLVYMKBWHMX-RVDMUPIBSA-N", "SMILES:CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL92816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYKGLCSXVAAXNC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1819531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUIXFZJBOJTTET-OWOJBTEDSA-N", "SMILES:Oc1cc(/C=C/c2cc(O)c(O)c(O)c2)cc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL296411", "category": ["biolink:ChemicalEntity"], "name": "TRISMETHOXYRESVERATROL", "xref": ["InChIKey:GDHNBPHYVRHYCC-SNAWJCMRSA-N", "SMILES:COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1819528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWWLQFBCPFVOQ-WUKNDPDISA-N", "SMILES:CCCCCCCCCCCCCCCCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31400", "category": ["biolink:ChemicalEntity"], "name": "ELINAFIDE", "xref": ["InChIKey:QUNOQBDEVTWCTA-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3cccc(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3cccc(c23)C1=O"], "synonym": ["Elinafide", "Elinafida", "LU-79553"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1819600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFFTXJHNMYVCX-UHFFFAOYSA-N", "SMILES:Cn1ccc2c3ccoc3c3c(c21)C(=O)N(CCNCCCNCCN1C(=O)c2c(c4c(ccn4C)c4ccoc24)C1=O)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWOLOZGQZKJZKJ-UHFFFAOYSA-N", "SMILES:Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPGQZOILNCQDGW-UHFFFAOYSA-N", "SMILES:Clc1ncnc2c1ncn2CC1CSc2ccccc2O1"]}
{"name": "Eukaryotic translation initiation factor 2 subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL1255131"], "id": "UniProtKB:P05198", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJSNAWJEGDOPN-UHFFFAOYSA-N", "SMILES:Brc1ncnc2c1ncn2CC1CSc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZMVZLYJIOZRG-UHFFFAOYSA-N", "SMILES:Clc1nc(Cl)c2ncn(CC3CSc4ccccc4O3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822982", "category": ["biolink:ChemicalEntity"], "name": "TRICITRINOL B", "xref": ["InChIKey:GIHKMCLRUJERAC-ITWOFJKESA-N", "SMILES:COC1O[C@H](C)[C@@H](C)c2c(C)c3c(c(O)c21)[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)c([C@H]4O[C@H](C)[C@@H](C)c5c(C)c(O)cc(O)c54)c(c21)O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL293096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQDGLTOVYOUCRG-QMMMGPOBSA-N", "SMILES:COc1cc2c(cc1O)N=C[C@@H]1CCCN1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1823737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDDHMZGAHCLSN-DWOOMVRVSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUSZFHAVLGOED-PUHSMXRQSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHAPBQJLRADKHI-JHVZDVHPSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQXJOODLCRMCMU-HSDHKRTLSA-N", "SMILES:COc1cc(/C=C/C(=O)c2cc(Cl)ccc2O)ccc1OCCCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVWUUJRODLBNO-WYMLVPIESA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)NC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTKMOGSPGCGHEQ-UHFFFAOYSA-N", "SMILES:CC1CCN(CCOc2ccc(Cc3c(O)ccc4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWINXDTKWBERY-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+](Cc2cccc(C[n+]3ccccc3/C=N/O)c2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291233", "category": ["biolink:ChemicalEntity"], "name": "OBIDOXIME CHLORIDE", "xref": ["InChIKey:ZIFJVJZWVSPZLE-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](COC[n+]2ccc(/C=N/O)cc2)cc1.[Cl-].[Cl-]"], "synonym": ["Obidoxime chloride", "Chlorure d'obidoxime", "Cloruro de obidoxima", "Obidoxime chloride", "NSC-757237", "Obidoxime chloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDIXKBMKSWZVNC-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc[n+](Cc2cccc(C[n+]3ccccc3/C=N/O)c2)c1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFPJANOVSAUHB-QLVZFOIYSA-N", "SMILES:NC(=O)c1ccc[n+](Cc2ccc(C[n+]3cccc(/C=N/O)c3)cc2)c1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTYHBJCKDNFND-HYSBPSHESA-N", "SMILES:NC(=O)c1cc[n+](Cc2ccc(C[n+]3cccc(/C=N/O)c3)cc2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWFTQCGEOVIRO-QLVZFOIYSA-N", "SMILES:NC(=O)c1ccc[n+](Cc2cccc(C[n+]3cccc(/C=N/O)c3)c2)c1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WITPFRNFEGTONT-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccccc2)c(C)c1CN(C)CC(O)COc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1821980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOSMOKNHAQQSQA-UHFFFAOYSA-N", "SMILES:Cl.NC1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O"]}
{"name": "Aminopeptidase N", "xref": ["CHEMBL.TARGET:CHEMBL2590"], "id": "UniProtKB:P15145", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1375425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCKNSAYJDPHQO-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1502047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPJMIXQBDVYQRG-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccc2)nnc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCPQJEKIXMPJLO-YMOADCPFSA-M", "SMILES:O=C([O-])[C@]1(O)C=C(OCc2cc3ccccc3s2)[C@@H](O)[C@H](O)C1.[Na+]"]}
{"name": "3-dehydroquinate dehydratase", "xref": ["CHEMBL.TARGET:CHEMBL3345"], "id": "UniProtKB:P9WPX7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDNKFBLMZXFZAX-NQLNPJAESA-M", "SMILES:Cc1ccc2sc(COC3=C[C@@](O)(C(=O)[O-])C[C@@H](O)[C@@H]3O)cc2c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHAZPADHQBQSS-YMOADCPFSA-M", "SMILES:O=C([O-])[C@]1(O)C=C(OCc2cc3ccc(Cl)cc3s2)[C@@H](O)[C@H](O)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYEGLJVCUHDSKF-YMOADCPFSA-M", "SMILES:O=C([O-])[C@]1(O)C=C(OCc2ccc3sccc3c2)[C@@H](O)[C@H](O)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKLAUOSELNQLR-RLOSDUHESA-M", "SMILES:O=C([O-])[C@]1(O)C=C(OCc2ccc3ccccc3c2)[C@@H](O)[C@H](O)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVZJTVHISXYBNE-RBJCUBAZSA-M", "SMILES:O=C([O-])[C@]1(O)C=C(OCc2cccs2)[C@@H](O)[C@H](O)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHEURLRNPYUJGT-DCTXAINWSA-M", "SMILES:O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2cc3ccccc3s2)=C1Cc1cc2ccccc2s1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DANBJVULHWQWEO-SCDOXDKZSA-M", "SMILES:Cc1ccc2sc(COC3=C(Cc4cc5cc(C)ccc5s4)[C@@](O)(C(=O)[O-])C[C@@H](O)[C@@H]3O)cc2c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKYEXDDYLAVPW-DCTXAINWSA-M", "SMILES:O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2cc3ccc(Cl)cc3s2)=C1Cc1cc2ccc(Cl)cc2s1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWXZTJDMFMDRG-DCTXAINWSA-M", "SMILES:O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2ccc3sccc3c2)=C1Cc1ccc2sccc2c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVNGCLRNGFXEC-DDLJGEAHSA-M", "SMILES:O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2ccc3ccccc3c2)=C1Cc1ccc2ccccc2c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGWETSGSZVRKQ-SLINCCQESA-M", "SMILES:O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2cccs2)=C1Cc1cccs1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMHBYSSVCBMFO-BSLPGFAVSA-M", "SMILES:C=CCC1=C(OCc2cc3ccccc3s2)[C@@H](O)[C@H](O)C[C@]1(O)C(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAEAXSWCSFHRKG-ZZBFITHQSA-M", "SMILES:O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2cc3ccccc3s2)=C1Cc1cccs1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMWORTFUKCQSJP-FVJIEKSSSA-M", "SMILES:Cc1ccc2sc(CC3=C(OCc4cccs4)[C@@H](O)[C@H](O)C[C@]3(O)C(=O)[O-])cc2c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLLDWTLXBYYGKU-ZZBFITHQSA-M", "SMILES:O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2cccs2)=C1Cc1ccc2sccc2c1.[Na+]"]}
{"name": "3-dehydroquinate dehydratase", "xref": ["CHEMBL.TARGET:CHEMBL4680"], "id": "UniProtKB:Q48255", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:85962"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGZUULWZACGOV-BEQAMCKWSA-N", "SMILES:CC(C)(C)c1cc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIILLTHQHVJGCZ-BQLVWXCYSA-N", "SMILES:Cc1csc([C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWRVFIQBNBKHT-MHMIHQHRSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGAUCMYFXYSKK-URYYLNOGSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXPHTLGCQOXNCE-CWIZEDJBSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CC1CC1CCBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHOBDOHPSDNAG-LXHROKJGSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJINCZIVQLHCRI-WJGLBBAVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHXGGMSLTDYHNH-WLWHTNHRSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXLSBDXWVKSMK-WEMFOFRKSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGCETMTTUWWIG-DSSMMGBBSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYMUXAKTTCAUGX-WJGLBBAVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOHXXLQQJOJOLB-WXJBELMVSA-N", "SMILES:CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMIDDXLVYVRYHN-WJGLBBAVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIKLKALRVMLOA-WJGLBBAVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVHUIZAFOLEQNY-WJGLBBAVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJEPZRJOTZTQFW-WJGLBBAVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKGDEPDTUNPOO-WJGLBBAVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cc(Br)cc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAWYEUHZRVUEPJ-WJGLBBAVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEJRMUUGZVLUNE-WJGLBBAVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRSQYSLSGRZKNR-WJGLBBAVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AALGEJQIERLACX-WEMFOFRKSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNIQFLKEHCWQE-DSSMMGBBSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNIGERMTRRNNJ-WXJBELMVSA-N", "SMILES:CC(C)(C)c1cccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDKJLOKHHAFKLT-HNAYVOBHSA-N", "SMILES:CCCC[C@H]1Cc2c(Cl)cccc2[C@@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRZRNSJTPYGRC-PKOBYXMFSA-N", "SMILES:CCCC[C@H]1Cc2ccccc2[C@@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXLMOGPVYXJNR-ZPHDWPCDSA-N", "SMILES:C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1824049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXXUKXLULSIND-REMOFRLVSA-N", "SMILES:C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXXUKXLULSIND-TTZRXDBLSA-N", "SMILES:C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMRXEMNCQTEFU-DQMVLKBGSA-N", "SMILES:C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMRXEMNCQTEFU-RPZSHQLJSA-N", "SMILES:C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOKLAQIKLJNCC-TUQJLTHMSA-N", "SMILES:C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOKLAQIKLJNCC-PPQOTRBLSA-N", "SMILES:C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRZZHKHLDKTKL-VJLATZRLSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRZZHKHLDKTKL-OCZUONHDSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDCQOWLWNRGRH-LWNGEPAASA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPLCSNQORHDTQ-UVDDJNJYSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPLCSNQORHDTQ-VQFDOSOCSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBDNSZDVPAABT-VAWYXSNFSA-N", "SMILES:O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3cc4ccccc4s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJOGVNSXJWSBL-LOUJCGABSA-N", "SMILES:O=C(O)CCC[C@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)CBr)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824581", "category": ["biolink:ChemicalEntity"], "name": "SOPHORIDINE", "xref": ["InChIKey:ZSBXGIUJOOQZMP-BHPKHCPMSA-N", "SMILES:O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@H](CN12)[C@@H]34"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL215205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYZRKFOEZQBUEA-OUKQBFOZSA-N", "SMILES:Nc1n[nH]c(N)c1/N=N/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1822310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPKCKCRDKNNEFJ-YFCMQRPDSA-N", "SMILES:CC(=O)N[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)[C@H](C)O)[C@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNCRSTLIDKAAEX-VBFHNQMDSA-N", "SMILES:CC(C)C[C@@H](NC(=O)CNC(=O)CNC(=O)CCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)[C@H](C)O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1825209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOODIHXYCJVUOE-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NC(Cc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1825207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXKVIFQGOPZOBH-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1825206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGMGKSSTIGICDS-MZTFZBDOSA-N", "SMILES:C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1825204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZYMJPDUCHTUMN-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1825202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPLBVXQVRMQEX-MALLOTDXSA-N", "SMILES:CC(C)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1825201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNHSFDDGNZWJJ-RWCYGVJQSA-N", "SMILES:O=C(NO)[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSLIAYZITFUQFO-BQBZGAKWSA-N", "SMILES:CO[C@@H]1CN(C)C[C@@H](CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDGFQVLRNHHLCM-WDSKDSINSA-N", "SMILES:CO[C@@H]1CN(O)C[C@@H](CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZZNWMWOBYWIST-SQOVJYTMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1798007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBAVAZZYVBNYMS-YZYNAAERSA-N", "SMILES:CC[C@H](C)[C@@H](CN1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1798008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRJCELBIMUQGG-BAURHKQJSA-N", "SMILES:CC[C@H](C)[C@@H](CN1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1)NC(=O)CC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1828920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMFYWVSGUMHBCM-TVIOGVOPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOECJCJVIMVJGX-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVXDOSIKSIZMGR-CQSZACIVSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKZHZYOGPESQF-JKSUJKDBSA-N", "SMILES:C[C@H](COc1ccc(-c2ccc(=O)n(C)n2)cc1)CN1CCC[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1830587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBUPSVATJKTRR-UHFFFAOYSA-N", "SMILES:CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(N3CCNCC3)cc2)n1"]}
{"name": "Integrin-linked protein kinase", "synonym": ["Scaffold protein ILK"], "xref": ["CHEMBL.TARGET:CHEMBL5247"], "id": "UniProtKB:Q13418", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZMMAPPHDCECB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVSFFVDMUSXSX-UHFFFAOYSA-N", "SMILES:CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1830143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZKTWYPRMCPYNI-RMKNXTFCSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1831166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAUWBVJOXSKPQX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccc(F)cc3)c3ccccc31)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWBKYDSSJIRNJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(C#Cc2cc(Cl)nc(Cl)c2)cc1"]}
{"name": "Free fatty acid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1795180"], "id": "UniProtKB:Q8K3T4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZPOSDEFGHZMH-NNTMNUMBSA-N", "SMILES:CC(=O)OC[C@]12[C@@H](OC(=O)c3ccoc3)C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](O)[C@@H]2OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1829519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCOGSKUMTVUFST-AIQOZMOKSA-N", "SMILES:CC(=O)OC[C@]12[C@@H](OC(=O)c3ccoc3)C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL191573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKGHCPJNGDNSA-LLKZBMCISA-N", "SMILES:CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1829523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYBNSRVOGREIPT-ITGCXVENSA-N", "SMILES:CC(=O)O[C@H]1[C@H](OC(=O)c2ccoc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)C[C@@H]3C[C@]2(OC3(C)C)[C@@](C)(O)[C@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1829525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNBUZPHABVVEGM-OALLQYMSSA-N", "SMILES:CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccoc1)C(C)(C)O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1829526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBDYEZWHPAPOMY-WAIPBKEXSA-N", "SMILES:CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccoc4)[C@]2(C)[C@H]1OC(=O)c1ccoc1)C(C)(C)O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1829528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXBCJUBOCBSHO-HUDRDOLLSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccoc1)C(C)(C)O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1829529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDBWBFNQNQYXMX-XYZFIOBHSA-N", "SMILES:CC1(C)O[C@]23C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(C)[C@@H](OC(=O)c1ccoc1)CC[C@]3(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1830987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFAQKYUWVQMIX-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)Cc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1"]}
{"name": "Chloroquine resistance transporter", "xref": ["CHEMBL.TARGET:CHEMBL1795182"], "id": "UniProtKB:Q9N623", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNVUPYDSFDQAMG-UHFFFAOYSA-N", "SMILES:CCCc1ccc(C(CC(=O)O)Cc2nc3cc(I)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1831032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXWYOBGHDFLUNG-UHFFFAOYSA-N", "SMILES:c1ccc(C2CCN(CCc3cc4ccccc4[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1831044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFVPLCBTGAXYHI-UHFFFAOYSA-N", "SMILES:NCC(OCc1ccc(Cl)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1831033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRMGIFWZXHLGL-UHFFFAOYSA-N", "SMILES:CC1NCCOC1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1831185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKSWCPWMZECQV-AWEZNQCLSA-N", "SMILES:CCc1cc([C@@H]2CC(=O)N2c2ccc3c(c2)OCCO3)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1831186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKICRPOAFWWYHW-VCHYOVAHSA-N", "SMILES:CCc1cc(/C=N/c2ccc3c(c2)OCCO3)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1828656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEGHCLVTJGJUNQ-CAOOACKPSA-N", "SMILES:CCc1cc(/C=N/c2ccc3c(c2)OCO3)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORQGOQOBGREYTA-UHFFFAOYSA-N", "SMILES:Fc1ccccc1CSc1nnc(-c2ccc3c(c2)OCCO3)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOQYWMIQYBNBE-VZWAGXQNSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLHNAIIWCQGFT-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1ncccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUNTVJOMLUQIF-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1OC)-c1ncccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQLAYZSVGTOSX-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cccnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANWLTOLWCLRIF-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ncccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWWQNSJNFKKON-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cccnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTEBVCNLHGOAID-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2-c2c1c1ccccc1c(=O)n2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDUXBQXPPRWPS-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLYGAIACWRNRD-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2-c2c1c1ccccc1c(=O)n2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGWJIVPGVLVMDV-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCNCCO)c(=O)c2cc1OC)-c1ncccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFBWPWBBSIOSDX-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN)c(=O)c2cc1OC)-c1ncccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYGFCQLVSPTQEJ-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL383462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJMZUNJPZVUIG-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDQHUBKHGAHLN-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMVYVANYSKLSH-LDFHUFRKSA-N", "SMILES:CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Cl)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFJKQKGKSRBCIM-NSHDSACASA-N", "SMILES:Nc1nc2[nH]c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1"]}
{"name": "Reduced folate transporter", "xref": ["CHEMBL.TARGET:CHEMBL4833"], "id": "UniProtKB:P41440", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590985", "category": ["biolink:ChemicalEntity"], "name": "TALOTREXIN", "xref": ["InChIKey:NYQPLPNEESYGNO-IBGZPJMESA-N", "SMILES:Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1"], "synonym": ["Talotrexin", "Talotrexine", "Talotrexina", "Talotrexin", "NSC-623017", "NSC-633713"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL590740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFLVKAWSSGDBU-ZDUSSCGKSA-N", "SMILES:Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMBYSCVMFMNUQV-LBPRGKRZSA-N", "SMILES:Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1679", "category": ["biolink:ChemicalEntity"], "name": "LEUCOVORIN", "xref": ["InChIKey:VVIAGPKUTFNRDU-ABLWVSNPSA-N", "SMILES:Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O"], "synonym": ["Folinic acid", "5-formyltetrahydrofolate", "5-formyltetrahydrofolic acid", "Folinic acid", "Leucovorin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Proton-coupled folate transporter", "xref": ["CHEMBL.TARGET:CHEMBL1795188"], "id": "UniProtKB:Q96NT5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPXMDWDALSPNS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCCC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URAHTZSIPJECHD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NC(CO)CCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUTZJFKXVMOAV-QQTULTPQSA-N", "SMILES:CCCCCN1C(=O)/C(=N\\NC(=O)CN(C)c2ccc([N+](=O)[O-])c3nonc23)c2ccc(OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1520220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWVGJDFMVEDFJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1379780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYCQUAOZXPKXNF-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCOFDHMYUHQATQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3ncn2c31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJHPOUAVHNJDOJ-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTYZZCXBGWMMU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWQVHRFBPFODIM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXPQBKAAZOSJJ-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3ccc(Cl)cc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPTCGMGLTQPTGE-UHFFFAOYSA-N", "SMILES:CSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFRQHSFQIRQETC-XWEVEMRCSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)NCCN)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVMOIVJQLNKUOE-LPVMKEIWSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)NCCNC(=O)Nc6cc(C(F)(F)F)cc(C(F)(F)F)c6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBIJZJDJDKYDPO-VHIBYSBJSA-N", "SMILES:COc1ccc(CCNC(=O)[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLCLJLQJNIBCS-NIOZJCLWSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)[C@@]3(C)CC[C@]4(C)CC[C@]5(C)C(=CC(=O)[C@@H]6[C@@]7(C)CC[C@H](O)C(C)(C)[C@@H]7CC[C@]65C)[C@@H]4C3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYNCIWNIXEHEX-BDDMGLRVSA-N", "SMILES:COc1ccc(CCNC(=O)[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPIANMUSGHKIT-CJBAOGIUSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)NCc6ccc(C(F)(F)F)cc6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHUJJIVTFNERSP-LPVMKEIWSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)NCCNC(=S)Nc6ccccc6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZLYFLHPPBPLLF-UNEMXNSVSA-N", "SMILES:COc1cc(/C=C/C(C)=O)ccc1OC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQLZYUFZYOPDP-SXRYQNKZSA-N", "SMILES:COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C=C(I)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYZTSGNEPQYRG-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CCCN=C=S)c2c(Br)cc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQDMUNTZASFZMJ-LSAFBTGKSA-N", "SMILES:C#CCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cn(CC(=O)NCCCC(CCCNC(=O)Cn2cc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CCC#C)nn2)(NC(=O)CNC(=O)Cn2cc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CCC#C)nn2)C(=O)NCCC(N)=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGNXVGOHRNDAL-BKWDYQQYSA-N", "SMILES:C#CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cn(CC(=O)NCC(=O)NC(CCCNC(C)=O)(CCCNC(C)=O)C(=O)NCCC(N)=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFXSNZPAXWMJDE-UHODIAJSSA-N", "SMILES:C#CCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cn(CC(=O)NCCCC(CCCNC(=O)Cn2cc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CCC#C)nn2)(NC(=O)CNC(C)=O)C(=O)NCCC(N)=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVPQPYKVGDNFY-ARROIKNCSA-N", "SMILES:CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL454471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVPQPYKVGDNFY-DKYCYSLVSA-N", "SMILES:CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1835950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVPQPYKVGDNFY-TUJWMRSMSA-N", "SMILES:CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1835951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVPQPYKVGDNFY-DFMJLFEVSA-N", "SMILES:CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1835952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVPQPYKVGDNFY-PGTZCRIKSA-N", "SMILES:CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1835954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVPQPYKVGDNFY-MZPAXQNMSA-N", "SMILES:CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL574469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKXPLQZZCVGBG-KAODMTDESA-N", "SMILES:CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGYDNZRUITCRV-CYEXUTLASA-N", "SMILES:CC(C)Cn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPISYKZEUFNMRB-YOJHGRMCSA-N", "SMILES:CCCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQEQOICEGIXCOS-BNHMMOKISA-N", "SMILES:CC(C)CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPZMENVGULEJHY-BNHMMOKISA-N", "SMILES:CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGEFPZBPQSZMSA-PZSMLTKBSA-N", "SMILES:O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)cnn1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDZNGYNAYJDCOW-PZSMLTKBSA-N", "SMILES:O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)cnn1CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDVCKADISNVISS-PZSMLTKBSA-N", "SMILES:[N-]=[N+]=NCCCCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLNFBKOIHZCZRB-PZSMLTKBSA-N", "SMILES:N#CCCCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEIRYDOOYBLOKD-WECIHKQLSA-N", "SMILES:CCC1(Cn2ncn(-c3ccc(N4CCN(c5ccc(OC[C@@H]6CO[C@@](Cn7cncn7)(c7ccc(Cl)cc7Cl)O6)cc5)CC4)cc3)c2=O)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXMTWNIVRLQPX-QTQRRKOQSA-N", "SMILES:CC1(CCn2ncn(-c3ccc(N4CCN(c5ccc(OC[C@@H]6CO[C@@](Cn7cncn7)(c7ccc(Cl)cc7Cl)O6)cc5)CC4)cc3)c2=O)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTROMDPBGYYNKS-UHFFFAOYSA-N", "SMILES:N#CC1=C(SCc2ccccc2)SC(c2ccc(O)c(O)c2)NC1=O"]}
{"name": "Galactokinase", "xref": ["CHEMBL.TARGET:CHEMBL1293257"], "id": "UniProtKB:P51570", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1833984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVHSWOJPOOWEG-HJFAYSLPSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1834951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDOPGDHWLRJHTG-PEZFIIDJSA-N", "SMILES:COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1834952", "category": ["biolink:ChemicalEntity"], "name": "ELATOSIDE D", "xref": ["InChIKey:YSCJAYPKBYRXEZ-HJRRKDPKSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1834747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLCNFYRAOPZIW-RMKNXTFCSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc3c(c2)OCCO3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEIVQJFUPOCZQU-NRFANRHFSA-N", "SMILES:CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHBLCYMZNXVLPL-BBRMVZONSA-N", "SMILES:CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMDLZXFMAZDKF-UAGQMJEPSA-N", "SMILES:CC(=S)NCCCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQBRSSPULXABF-UHFFFAOYSA-N", "SMILES:COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O"], "chembl_natural_product": true}
{"name": "Kallikrein-5", "xref": ["CHEMBL.TARGET:CHEMBL4447"], "id": "UniProtKB:Q9Y337", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kallikrein-7", "xref": ["CHEMBL.TARGET:CHEMBL2443"], "id": "UniProtKB:P49862", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIORUVJYBNBNNA-UHFFFAOYSA-N", "SMILES:Cc1c(C=C(CO)CO)n(C)c(=O)[nH]c1=O"]}
{"name": "Thymidine kinase", "xref": ["CHEMBL.TARGET:CHEMBL1795127"], "id": "UniProtKB:Q9QNF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10298"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPOBPPOQOUIOGG-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMLGBPDJRGQQC-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cc2oc(=O)ccc2cc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVROUZJKQRCFQT-UHFFFAOYSA-N", "SMILES:O=c1ccc2cc(-c3cccs3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUVSVZUXHYFPLJ-UHFFFAOYSA-N", "SMILES:O=c1ccc2cc(-c3ccc(Cl)s3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSRKXRZWRJFRQ-UHFFFAOYSA-N", "SMILES:Cn1c(C#N)ccc1-c1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPVOLDRTLLAQB-FYFDOJEYSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)c(C=O)c4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLZJIKHCALITLZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEVZBGPVPPYYSF-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCUCEZBAIQZDV-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835659", "category": ["biolink:ChemicalEntity"], "name": "SPIRUCHOSTATIN C", "xref": ["InChIKey:DISXKJJDDVRQSD-KLMIADJASA-N", "SMILES:CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](CC[S+](C)[O-])C(=O)N2)OC(=O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2", "category": ["biolink:ChemicalEntity"], "name": "PRAZOSIN", "xref": ["InChIKey:IENZQIKPVFGBNW-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC"], "synonym": ["Prazosin", "Prazosin", "Prazosin", "Prazosine", "Prazosina", "Prazosin", "Prazosin", "CP-122991"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL396298", "category": ["biolink:ChemicalEntity"], "name": "ELACRIDAR", "xref": ["InChIKey:OSFCMRGOZNQUSW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc1)CC2"], "synonym": ["Elacridar", "GF 120918", "LY-335979", "LY335979"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL301370", "category": ["biolink:ChemicalEntity"], "name": "OPAVIRALINE", "xref": ["InChIKey:KELNNWMENBUHNS-NSHDSACASA-N", "SMILES:CC[C@H]1C(=O)Nc2ccc(F)cc2N1C(=O)OC(C)C"], "synonym": ["Opaviraline", "Opaviralina", "GW-420867", "GW-420867X", "HBY-1293"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHCQLAFJKZXZJJ-MJHCCXMASA-N", "SMILES:CC(C)CCS[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "Cholesterol side-chain cleavage enzyme, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4813"], "id": "UniProtKB:P00189", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDPJVSOAZDLGP-NURQPWONSA-N", "SMILES:C=CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(C)=O"]}
{"name": "Cytochrome P450 11B1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2927"], "id": "UniProtKB:P15150", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKDFAUZPHKYJI-UHFFFAOYSA-N", "SMILES:CC(Nn1nnc2ccccc21)c1ccccc1"]}
{"name": "Cytochrome P450 2B11", "xref": ["CHEMBL.TARGET:CHEMBL1907981"], "id": "UniProtKB:P24460", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Cytochrome P450 3A12", "xref": ["CHEMBL.TARGET:CHEMBL1907982"], "id": "UniProtKB:P24463", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480477", "category": ["biolink:ChemicalEntity"], "name": "GLABRIDIN", "xref": ["InChIKey:LBQIJVLKGVZRIW-ZDUSSCGKSA-N", "SMILES:CC1(C)C=Cc2c(ccc3c2OC[C@@H](c2ccc(O)cc2O)C3)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1908212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWFQZSWKBRPKJI-UHFFFAOYSA-N", "SMILES:Cc1c(N)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]"]}
{"name": "Cytochrome P450 2B10", "xref": ["CHEMBL.TARGET:CHEMBL1907983"], "id": "UniProtKB:P12791", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Cytochrome P450 3A11", "xref": ["CHEMBL.TARGET:CHEMBL1907984"], "id": "UniProtKB:Q64459", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFLTYHTFPTIGX-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCBCIKSEQJAGA-UHFFFAOYSA-N", "SMILES:COC(=O)c1csc2snnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPWNCLVNXGCGAF-UHFFFAOYSA-N", "SMILES:C#CC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQFHOBKZSUGLM-UHFFFAOYSA-N", "SMILES:C#CC(C)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTSEDXFEYAMFC-OSQVXGLNSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C(Cl)Cl"]}
{"name": "Cytochrome P450 2C5", "xref": ["CHEMBL.TARGET:CHEMBL1907985"], "id": "UniProtKB:P00179", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Cytochrome P450 2E1", "xref": ["CHEMBL.TARGET:CHEMBL5978"], "id": "UniProtKB:P05182", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWFRTVIIMTOLY-UHFFFAOYSA-N", "SMILES:CC(C)(C)N=C=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBFCVDJQUPEEIC-UHFFFAOYSA-N", "SMILES:C#CCCCC(O)CCCCCCCCCCC(=O)O"], "chembl_natural_product": true}
{"name": "Cytochrome P450 4A4", "xref": ["CHEMBL.TARGET:CHEMBL4743"], "id": "UniProtKB:P10611", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Cytochrome P450 1A1", "xref": ["CHEMBL.TARGET:CHEMBL2922"], "id": "UniProtKB:P00185", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZEDCCWIEHFCPL-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBNKCIVWFCMJY-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQGPSNMZZGRQP-UHFFFAOYSA-N", "SMILES:CC#CCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOSSPHYGCSKIJ-UHFFFAOYSA-N", "SMILES:CC#Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMQNFYGCFXEEJ-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2c(ccc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGSUFFLSMEOEC-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2ccc3ccccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEBUBSLYGRMOSZ-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2ccc3cccc4ccc1c2c34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWCIWTVUVKVTQG-UHFFFAOYSA-N", "SMILES:C#Cc1cc2cccc3ccc4cccc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3215311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRKWCWSGKXWRT-UHFFFAOYSA-N", "SMILES:CC#Cc1ccc2ccc3cccc4ccc1c2c34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDPYHGWFFLHRW-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc([N+](=O)[O-])cc1)C(Cl)Cl"]}
{"name": "Cytochrome P450 1A2", "xref": ["CHEMBL.TARGET:CHEMBL1075125"], "id": "UniProtKB:P04799", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKVRRYQWWPOAL-UHFFFAOYSA-N", "SMILES:C#Cc1cc2ccccc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447", "category": ["biolink:ChemicalEntity"], "name": "SECOBARBITAL", "xref": ["InChIKey:KQPKPCNLIDLUMF-UHFFFAOYSA-N", "SMILES:C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O"], "synonym": ["Secobarbital", "Secobarbital", "Secobarbital sodium free acid", "(rs)-secobarbital", "Evronal", "Hypotrol", "Immenox", "Quinalbarbital", "Secobarbital cii", "Secobarbitone", "Somatarax", "Meballymal", "Seconal"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL8706", "category": ["biolink:ChemicalEntity"], "name": "CLORGILINE", "xref": ["InChIKey:BTFHLQRNAMSNLC-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1ccc(Cl)cc1Cl"], "synonym": ["Clorgiline", "Clorgilina", "M&B 9302", "M&B-9302"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL55285", "category": ["biolink:ChemicalEntity"], "name": "BENZYL ISOTHIOCYANATE", "xref": ["InChIKey:MDKCFLQDBWCQCV-UHFFFAOYSA-N", "SMILES:S=C=NCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1908228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYYVMOZEUBTUOE-SCRBEDTGSA-N", "SMILES:C#CCN(C)C(C)CCCCC.C#CCN[C@@H](C)CCCCC.C#CCN[C@H](C)CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYYKYIDKFGCXEH-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(Br)cc1)C(F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSVHPYSCEKQSAH-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc([N+](=O)[O-])cc1)C(F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKXZMHLZMPKFE-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2ccc(=O)oc2c1"]}
{"name": "Cytochrome P450 2C11", "xref": ["CHEMBL.TARGET:CHEMBL4971"], "id": "UniProtKB:P08683", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295467", "category": ["biolink:ChemicalEntity"], "name": "NISOXETINE", "xref": ["InChIKey:ITJNARMNRKSWTA-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccccc1OC)c1ccccc1"], "synonym": ["Nisoxetine", "Nisoxetina", "COMPOUND 89218", "COMPOUND-89218", "LY-94939", "NSC-283481", "Nisoxetine"], "chembl_natural_product": true}
{"name": "Cytochrome P450 2C6", "xref": ["CHEMBL.TARGET:CHEMBL1907986"], "id": "UniProtKB:P05178", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908233", "category": ["biolink:ChemicalEntity"], "name": "DIALLYLSULFONE", "xref": ["InChIKey:NZEDMAWEJPYWCD-UHFFFAOYSA-N", "SMILES:C=CCS(=O)(=O)CC=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKDOTCFNLHHKOF-FGRDZWBJSA-N", "SMILES:C/C=C\\Cl.Cl/C=C\\Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279816", "category": ["biolink:ChemicalEntity"], "name": "TRICHLOROETHYLENE", "xref": ["InChIKey:XSTXAVWGXDQKEL-UHFFFAOYSA-N", "SMILES:ClC=C(Cl)Cl"], "synonym": ["Trichloroethylene", "Trichloroethylene", "Trichloroethylene", "Tricloroetileno", "Anamenth", "Densinfluat", "Germalgene", "Narkosoid", "Trichloroethene", "Westrosol", "Trilene"], "chembl_natural_product": true}
{"name": "Cytochrome P450 3A2", "xref": ["CHEMBL.TARGET:CHEMBL3324"], "id": "UniProtKB:P05183", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRJOBJZEOGDLA-BJMVGYQFSA-N", "SMILES:N/C(S)=N/N=C/c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSBNFGJRLFTMX-JFWROOKGSA-N", "SMILES:C#CCN(CC[18F])[C@H](C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUGLODFDTPSDMS-DTIOTQPPSA-N", "SMILES:C#CCN(C)[C@H](C)[C@@H]([18F])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPPVPPCQNSSPGJ-OBTQWQRRSA-N", "SMILES:C#CCN(C)[C@H](C[18F])Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOFJIGIVHYGSA-UHFFFAOYSA-N", "SMILES:COc1cc2c(CNS(=O)(=O)C(F)(F)F)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC"]}
{"name": "Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1", "xref": ["CHEMBL.TARGET:CHEMBL1909481"], "id": "UniProtKB:Q06210", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAEOTYPYJMLYGD-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)O)cnc(C(=O)c3c(F)cccc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOLQZUDLOOHVCH-VUCQBUQISA-N", "SMILES:[3H]c1cc(-c2cnn3c(=O)n(Cc4ccc(C(F)(F)F)nc4[3H])nc3c2-c2ccncc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEYUHCBBXWTQT-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNFGAAZKHHVAD-UHFFFAOYSA-N", "SMILES:Brc1ccccc1-c1cnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PINMMJBKQZJEDY-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1cnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEYJQEQLVBVCAQ-UHFFFAOYSA-N", "SMILES:CCCCCCOC(=O)c1ccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])cc1"]}
{"name": "14-3-3 protein sigma", "xref": ["CHEMBL.TARGET:CHEMBL1909482"], "id": "UniProtKB:P31947", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1362332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKCDMKSNNHWFU-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCAELKDRZKJIS-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1(O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHIJITNGHNTZEK-UHFFFAOYSA-N", "SMILES:COC12CC3CC(C1)C(CC(=O)O)(c1ccc(F)cc1)C(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFCPAXGZCEUPX-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)C2CC3CC1CC(F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTEKYAWXKWOOGA-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)C2CC3CC1CC(C2)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHFKGHTOJXPKP-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)C2CCCC1CC(O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEEXLIOOVWMWCE-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)C2CCCC1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSAKMATXHVNLEI-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)C2CCCC1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDYOAKFRDEMMV-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)CC2(CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXUNMAHZRLDHIA-UHFFFAOYSA-N", "SMILES:COC12CCC(CC1)C(CC(=O)O)(c1ccc(F)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVGPNFCVODSBFW-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)CC2CCC(C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNOJCXJWAPFDE-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)CC2CCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXOPAKVYBEIRH-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZSZPHYRMXVGE-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)C2CC3CC(C2)C(O)C1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIRQXAMRAFQSMR-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGCUJGCSFULOT-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(F)cc2)C2CC3CC1CC(C2)C3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNHIVWODGVELE-UHFFFAOYSA-N", "SMILES:CC1(O)C2CC3CC(C2)C(CC(=O)O)(c2ccc(F)cc2)C1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVDLXPCYCLQJDS-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2cccc(F)c2)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLUCKVGEYHYZQX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(CC(=O)O)C3CC4CC(C3)CC2C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZFGILXNPQHSTO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(CC(=O)O)C3CC4CC(C3)CC2C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZKWXNMCVNQXEH-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEKLYQGZHGLVOB-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2cccc(Cl)c2)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFDMKJOFONGPBX-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C2(CC(=O)O)C3CC4CC(C3)CC2C4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOHUGQYVSQANTJ-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(c2ccccc2)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBLWEKLASKGDT-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(Cc2ccccc2)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTQADNKXRYGNW-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(Cc2ccccc2Cl)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFXMUKLRZSUJQ-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(Cc2cccc(Cl)c2)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGTJACVQOLODSA-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(CCc2ccccc2)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMOCQGUONCFYJQ-UHFFFAOYSA-N", "SMILES:O=CCN1C(=O)C(NC(=O)c2cccc(NC(=O)OCc3ccccc3)c2)N=C(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLBRRYBFNBJESW-MBCCCEOXSA-N", "SMILES:CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1[C@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGAHMXUNNQXCDP-FKPQOHGQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1911734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHXCCFOXGSVVRJ-YWGZHDIYSA-N", "SMILES:CCOP(=O)(OCC)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHBWPAZGSOJLBN-VHQAPHLWSA-N", "SMILES:CCOP(=O)(O)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKCTUDMHEOWPDS-VHQAPHLWSA-N", "SMILES:C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(-n3ccnn3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVOOHNKMGNVXDM-HHXMPLFPSA-N", "SMILES:C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGNDAYVHOVZHS-UHFFFAOYSA-N", "SMILES:CN(CCCNCc1ccccc1)c1nc(-n2ccnc2)ns1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHAGMRDRJGBEY-UHFFFAOYSA-N", "SMILES:Cc1cc(N(C)CCCNCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMMWMKNOJVAQP-MERQFXBCSA-N", "SMILES:N=C(CF)NCCC[C@H](NC(=O)c1ccccc1C(=O)O)C(N)=O.O=C(O)C(F)(F)F"]}
{"name": "Protein-arginine deiminase type-1", "xref": ["CHEMBL.TARGET:CHEMBL1909486"], "id": "UniProtKB:Q9ULC6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXVVJOJJOSRVDG-MERQFXBCSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1ccccc1C(=O)O)C(N)=O.O=C(O)C(F)(F)F"]}
{"name": "Protein-arginine deiminase type-2", "xref": ["CHEMBL.TARGET:CHEMBL1909487"], "id": "UniProtKB:Q9Y2J8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein-arginine deiminase type-3", "xref": ["CHEMBL.TARGET:CHEMBL1909488"], "id": "UniProtKB:Q9ULW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein-arginine deiminase type-4", "xref": ["CHEMBL.TARGET:CHEMBL6111"], "id": "UniProtKB:Q9UM07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129795", "category": ["biolink:ChemicalEntity"], "name": "ISOLIQUIRITIGENIN", "xref": ["InChIKey:DXDRHHKMWQZJHT-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1910548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONSOTYJHQIJQV-RAXLEYEMSA-N", "SMILES:COc1ccc(/C=C(/CC(=O)O)c2nc3ccccc3s2)cc1"]}
{"name": "Lactoylglutathione lyase", "xref": ["CHEMBL.TARGET:CHEMBL2424"], "id": "UniProtKB:Q04760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOXADHJEWCJTGJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1701911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDOQXWBHGKWRK-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HICVXOMTGSGJJZ-IIZANFQQSA-N", "SMILES:O=C(O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CC[C@@H]2CC[C@H](NC(=O)Cc3ccccc3)C(=O)N21"]}
{"name": "Prostaglandin F2-alpha receptor", "xref": ["CHEMBL.TARGET:CHEMBL5000"], "id": "UniProtKB:P43117", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGMYCSILUCXOX-QKDODKLFSA-N", "SMILES:O=C(O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CCCN1C(=O)NNC(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVMPBNYTKWZAR-DTXPUJKBSA-N", "SMILES:C#CCN(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H](CC(=O)O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLCCBPGXVXBGC-AFEGWXKPSA-N", "SMILES:O=C(O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CCCN1C(=O)N(Cc1ccccc1)NC(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911631", "category": ["biolink:ChemicalEntity"], "name": "YUANHUADINE", "xref": ["InChIKey:NHELFTYSELEEFD-SVAWBNMMSA-N", "SMILES:C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1910763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOREIMJDPIWED-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCNCCCCCCNc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAWBAERKPHLBIA-UHFFFAOYSA-N", "SMILES:CC(C)N(CCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21)C(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1403981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHDVTOVFHVWOS-UHFFFAOYSA-N", "SMILES:O=C(O)c1sccc1SCc1ccc(Cl)c(Cl)c1"]}
{"name": "Receptor-type tyrosine-protein phosphatase gamma", "xref": ["CHEMBL.TARGET:CHEMBL4905"], "id": "UniProtKB:P23470", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSNMVYWOLUWDD-MERQFXBCSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1ccccc1)C(N)=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJYLIKJNBRPBOO-MERQFXBCSA-N", "SMILES:N=C(CF)NCCC[C@H](NC(=O)c1ccccc1)C(N)=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXSPPUBUZLSJOB-MKPCTTIOSA-N", "SMILES:O=C1/C(=C/c2ccc(OCCF)cc2)Oc2ccc([125I])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWOVIBFHCVXGCH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUOQJYAQYVEYIT-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(C(=O)O)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZWLZKCBRXYYRA-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2cccc3ccccc23)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHKTTZPXDPUUDY-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGOXNTSNRZCJCJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKVEFLNOAUKKX-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2ncccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIYIHSWLWOYRE-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2cnccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZGMYILFIDQHJJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccccc2Cl)nc2cnccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEZINBCOMVMBQH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn2c(NC(C)(C)C)c(-c3ccc(Cl)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTUHQTYSHDYNX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn2c(NC3CCCCC3)c(-c3ccc(Cl)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIEHAKARNKNOSI-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2[nH]c3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBULXFBOAPDPFC-UHFFFAOYSA-N", "SMILES:Nc1c(-c2ccc(Cl)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWVFUJDNAUCKDM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2nc3ccc(Br)cn3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOLTYVJTXRYJFE-UHFFFAOYSA-N", "SMILES:Nc1c(-c2ccc(Cl)cc2)nc2cnccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDVPULLGIVPRS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cnccn3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMGCDOHMOXTQF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn2c(N)c(-c3ccc(Cl)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQAKXGCTMJBJCF-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccccn2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPSZGAQQPCAER-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cc(Cl)c(C)cc3O)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVGBZFFZMKPKD-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1C1=NN(c2ccc(S(N)(=O)=O)cc2)C(c2ccc(N(C)C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915723", "category": ["biolink:ChemicalEntity"], "name": "HERDMANINE C", "xref": ["InChIKey:AJMYUJYRCPUHHA-MRXNPFEDSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2ccc(O)cc2)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1915724", "category": ["biolink:ChemicalEntity"], "name": "HERDMANINE D", "xref": ["InChIKey:PKFPVOPFIFUXPW-AWEZNQCLSA-N", "SMILES:N[C@@H](Cc1ccc(OC(=O)c2c[nH]c3cc(Br)c(O)cc23)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL43612", "category": ["biolink:ChemicalEntity"], "name": "JUGLONE", "xref": ["InChIKey:KQPYUDDGWXQXHS-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2c(O)cccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL240965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSKQCCPLVNJCQE-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cccc2c1C(=O)C=CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1917194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTRQSAKBZLLJM-UHFFFAOYSA-N", "SMILES:CCC(=O)Oc1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRIFYMDKIFETA-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)Oc1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQZEUKITDGNDJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)Oc1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNNBJMIFGETKH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)Oc1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUNHCPZKNYPWTH-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)Oc1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPCNJYRJHTXQM-HZJYTTRNSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)Oc1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXUOMWHGBOJND-PDBXOOCHSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)Oc1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQGLINVYSESIA-JLNKQSITSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Oc1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBRTYYODLWLHJ-KUBAVDMBSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)Oc1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129198", "category": ["biolink:ChemicalEntity"], "name": "JNJ-7777120", "xref": ["InChIKey:HUQJRYMLJBBEDO-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1"]}
{"name": "Histamine H4 receptor", "xref": ["CHEMBL.TARGET:CHEMBL1255160"], "id": "UniProtKB:Q91ZY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"name": "Histamine H4 receptor", "xref": ["CHEMBL.TARGET:CHEMBL5657"], "id": "UniProtKB:Q91ZY2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPUUOOMDLZCBV-QYVBNZPWSA-N", "SMILES:C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)C=C[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1915270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZZDIOJZZDJVKI-RWMSCIDHSA-N", "SMILES:CC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)C=C[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1915271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKYFOPPSEWXMGR-DFQOQHGMSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)C=C[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1914709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVIRQKLSRPEBCM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(OCCOCCCC)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNSISRMZOSORT-NRFANRHFSA-N", "SMILES:c1ccc(C[C@H](CCNCc2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)cc1"]}
{"name": "Transcriptional regulator ERG", "xref": ["CHEMBL.TARGET:CHEMBL1293191"], "id": "UniProtKB:P11308", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRCVYWNUUCNIN-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CNCCC(Cc2ccccc2)c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPAJBWPBFGTJFP-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1"], "chembl_natural_product": true}
{"name": "Luciferin 4-monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL3701"], "id": "UniProtKB:Q01158", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7052"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNJRNBYZLPKSHV-RGEXLXHISA-N", "SMILES:CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1"]}
{"name": "Dual specificity mitogen-activated protein kinase kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL2897"], "id": "UniProtKB:P45985", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434750", "category": ["biolink:ChemicalEntity"], "name": "ERGOSTEROL PEROXIDE", "xref": ["InChIKey:VXOZCESVZIRHCJ-KGHQQZOUSA-N", "SMILES:CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1917739", "category": ["biolink:ChemicalEntity"], "name": "LUCIDUMOL A", "xref": ["InChIKey:LVGCWXNRZNCAJG-AMKDLFIQSA-N", "SMILES:C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1097474", "category": ["biolink:ChemicalEntity"], "name": "GANODERIC ACID TR", "xref": ["InChIKey:SNZQBBATMLGADX-OYLOMWMRSA-N", "SMILES:C/C(=C/CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1915763", "category": ["biolink:ChemicalEntity"], "name": "GANODERMANONTRIOL", "xref": ["InChIKey:KASALCUNLBTNAA-LIPCCPSCSA-N", "SMILES:C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1915761", "category": ["biolink:ChemicalEntity"], "name": "GANODERIOL F", "xref": ["InChIKey:JVGJXXNUVVQEIG-MCKXIFHVSA-N", "SMILES:C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1914653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYMNUFXRFAELA-BTQNPOSSSA-N", "SMILES:Br.C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWEROSLJZXUCNS-UTONKHPSSA-N", "SMILES:Br.C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDYJTGGGDWVDJ-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccccc3)cc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUXXKMYGZJMRS-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccc(F)cc3)cc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHGYUZFUKMSIQE-UHFFFAOYSA-N", "SMILES:CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)C3Cc4ccccc4C3)cc2OC)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBPAXMUQBHLMMA-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(C(=O)NCCCCN(CCC)C5Cc6ccccc6C5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIUXWLPBAYCPG-LCYFTJDESA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccncc32)c(C)c1C(=O)NCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDHBWBJGXOIKP-HBPAQXCTSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(/C=C2\\C(=O)Nc3ccc(F)cc32)[nH]c1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXSZNMNYYRMHU-PXNMLYILSA-N", "SMILES:CCc1cccc2c(/C=C3\\C(=O)Nc4ccc(F)cc43)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEXFHALZKSZSKD-UHFFFAOYSA-N", "SMILES:COc1ccc2cc3[n+](cc2c1NCCc1ccccc1C)CCc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLADFXRHWWGOMN-CQSZACIVSA-N", "SMILES:C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTXVIHVCQVKSMA-QGZVFWFLSA-N", "SMILES:C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMSXHRWUGLAAKL-JXMROGBWSA-N", "SMILES:Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXERCFBVJLAADK-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)c1c(n2CCCNc2nc(OC)cc(OC)n2)CCCC1"]}
{"name": "Scavenger receptor class B member 1", "xref": ["CHEMBL.TARGET:CHEMBL1914272"], "id": "UniProtKB:Q8WTV0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUKMVLIQFXGGP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)nc(NCCCn2c3c(c4cc(C(=O)OC(C)C)ccc42)CCCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZXLRZQJQHBGL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)c1c(n2CCCNc2nc(OC)cc(OC)n2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSVOWTJCMCKAPM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)nc(NCCCn2c3c(c4cc(C(=O)N(C)C)ccc42)CCCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOHVWCPNOWOMH-OQBXENPRSA-N", "SMILES:O=C(/C=C/COc1ccccc1C(=O)NC1=CC(=O)[C@H]2O[C@H]2[C@H]1O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYRMVXCZDNMRW-UHFFFAOYSA-N", "SMILES:CCc1cccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYZQBJWQIXGHHN-UHFFFAOYSA-N", "SMILES:Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC(F)(F)F)c2)C3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIPWMJZVDJWDPJ-UHFFFAOYSA-N", "SMILES:Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(Cl)c2)C3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXJYWKFAMTHOD-UHFFFAOYSA-N", "SMILES:Cn1nnnc1NC(=O)N1CCC2(CC1)CC(c1cccc(OC(F)(F)F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FORLCQWPUSFXPI-UHFFFAOYSA-N", "SMILES:Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(F)c(Cl)c2)C3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGOZXZTEQGHGA-UHFFFAOYSA-N", "SMILES:Cn1nnnc1NC(=O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQCKBQJMVWOYQV-UHFFFAOYSA-N", "SMILES:Cn1nnnc1NC(=O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)c1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNWNGNLIURYKH-UHFFFAOYSA-N", "SMILES:Cn1nnnc1NC(=O)N1CCC2(CC1)CC(c1cccc(OC(F)(F)F)c1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUKEBGEYYLMGX-SFHVURJKSA-N", "SMILES:O=C(Nc1cccnn1)N1CCC2(CC1)C[C@H](c1cccc(Oc3ccc(C(F)(F)F)cn3)c1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUYFJDKICKVCN-UHFFFAOYSA-N", "SMILES:Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(Oc4ccc(C(F)(F)F)cn4)c2)C3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHOXTZUEJOESC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnn1)N1CCC2(CC1)CC(c1cccc(Oc3ccc(C(F)(F)F)cn3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1708510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNLZIBKERMMOA-AWQFTUOYSA-N", "SMILES:COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)NC(C)(C)C"]}
{"name": "G-protein coupled receptor 35", "xref": ["CHEMBL.TARGET:CHEMBL1293267"], "id": "UniProtKB:Q9HC97", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQAXFGQFKBDJMX-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)sc2c(Br)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLMBQNOAWLPZPJ-UHFFFAOYSA-N", "SMILES:CC1=C(C#N)C(=C(C#N)C#N)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRCMOBXYYPJOSY-UHFFFAOYSA-N", "SMILES:CC1=C(C#N)C(=C(C#N)C#N)OC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZOLQRQTGDCGPQ-HZJYTTRNSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYJHRIBRIFELV-UHFFFAOYSA-N", "SMILES:CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMXAUUNISHIARO-UHFFFAOYSA-N", "SMILES:Cc1csc2c1sc1cc(C(=O)O)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUTOZPCYGLLBNK-UHFFFAOYSA-N", "SMILES:CCCCCCc1c(C(=O)O)sc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1914583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMIWSTYMDDUHF-UHFFFAOYSA-N", "SMILES:CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDGEZQQIMDHCY-QGZVFWFLSA-N", "SMILES:CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBOSSGPNTILYAJ-CSNXKBJZSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSCc2ccccn2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDNOAQGZPKWQAZ-VUGRWMMESA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSCc2cccs2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJYWHDGUDDTJMK-RMKKKHJJSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSCc2ccccc2O)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZKULHFHGSQYTP-UHFFFAOYSA-N", "SMILES:Cc1ccn2c(=O)cc(-c3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXMWWKJXVVELBL-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)nc2ccc(C3CC3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLRNAEDFYYCAKA-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)nc2ccc(-c3ccccc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXRVMSVYRMCQJP-UHFFFAOYSA-N", "SMILES:CCc1ccn2c(=O)cc(-c3ccccc3)nc2c1"]}
{"name": "Steroid hormone receptor ERR1", "xref": ["CHEMBL.TARGET:CHEMBL1914280"], "id": "UniProtKB:O08580", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKODXXKPDODID-UHFFFAOYSA-N", "SMILES:CN(C)CC1CC(c2ccc([N+](=O)[O-])cc2)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQMOPBFMUDBJI-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCC1)Nc1cc2c3c(cc(NC(=O)CCN4CCCC4)cc3c1)C(=O)N(CCCN1CCCCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRYTRSQGUPHDJ-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCC1)Nc1cc2c3c(cc(NC(=O)CCN4CCCC4)cc3c1)C(=O)N(CCCN1CCOCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1922581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPZUHYMBTUUPML-QPSCCSFWSA-N", "SMILES:CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1921898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNBSEDPYKSFBK-NYTZCTPBSA-M", "SMILES:O=C(O)CC[C@H](NP(=O)(O)OC[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)[O-])c1)C(=O)O)C(=O)O)C(=O)O.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1921899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRCJBPMQILICBJ-AWCRTANDSA-N", "SMILES:O=C(O)CC[C@H](NP(=O)(O)OC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1921897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSAFNYJPIDGLBS-FXQIFTODSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](COP(=O)(O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1921900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHSVKHUPQVLAX-BJKOEGOMSA-N", "SMILES:O=C(O)CC[C@H](NP(=O)(O)OC[C@H](NC(=O)CC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1922512", "category": ["biolink:ChemicalEntity"], "name": "OCTHILINONE", "xref": ["InChIKey:AVGVFDSUDIUXEU-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1SCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1922513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVGPLHUTLSZSGX-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1921966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKHXNMGLXSNQJA-UHFFFAOYSA-N", "SMILES:O=C(C1=C(O)C(=O)N(c2nccs2)C1c1cccs1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1921967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQSEIKRKBXYIB-UHFFFAOYSA-N", "SMILES:Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2cccs2)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1921968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REQXVCUVTMHPRL-UHFFFAOYSA-N", "SMILES:Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZBQOBOSIQUVSG-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2ccccc2OC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1346011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDWVJINSMJWQT-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1Br)c1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL358035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRGAQZSTZSDJOZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOWYEJPZQSDTDJ-UHFFFAOYSA-N", "SMILES:C[N+](C)([O-])CCNc1ccc2c3c(nn2CC[N+](C)(C)[O-])-c2cnccc2C(=O)c13.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMMXBBXMTTUBJS-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc3cc(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUZANOSJNOETI-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccc3cc(NC(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4)c(=O)oc3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479291", "category": ["biolink:ChemicalEntity"], "name": "UNGEREMINE", "xref": ["InChIKey:DFQOXFIPAAMFAU-UHFFFAOYSA-N", "SMILES:[O-]c1cc2c3c(c1)c1cc4c(cc1c[n+]3CC2)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1923284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZMVFSBYWQKFE-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1nc2ccccc2s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZSZNTMUTACLMK-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NC(=O)CCCCCCC(=O)NO)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEKETBLSWQPBX-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(=O)CCCCCCC(=O)NO)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGZPTVZBDKAPZ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDZUXSZYMFQSC-AKHKZFQHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXICCGPFVRVNMD-LRFGSCOBSA-N", "SMILES:Oc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1[18F]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIGOHVHPOGNLZ-AWDFDDCISA-N", "SMILES:[18F]c1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVIUREYWLIBJBY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CSc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCGDYADLNUQIH-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCn2c(SCCC(=O)O)nc3ccccc32)cc1"], "synonym": ["ZINC 03877300"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCBJXVNIRRHJP-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc32)cc1"], "synonym": ["ZINC 02058890"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICYDPYXPYNZCH-NDEPHWFRSA-N", "SMILES:Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(-c3cn4c(n3)sc3ccccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICYDPYXPYNZCH-MUUNZHRXSA-N", "SMILES:Cc1cc(C)cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(-c3cn4c(n3)sc3ccccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCNRALGPZNATI-SANMLTNESA-N", "SMILES:O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cn3c(n2)sc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCNRALGPZNATI-AREMUKBSSA-N", "SMILES:O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cn3c(n2)sc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKMTEIKWRVAML-SANMLTNESA-N", "SMILES:O=C(Cc1cc(F)cc(F)c1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cn3c(n2)sc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QETQXIQJKSTADN-MHZLTWQESA-N", "SMILES:Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(-c3cn4c(n3)sc3ccccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXAIOMVXAKICRS-SANMLTNESA-N", "SMILES:O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cn3c(n2)sc2cc(Br)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXKFOOFQAQCRAZ-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NOC(COc3ccc(C=O)cc3)C2)ccc1O"]}
{"name": "Macrophage migration inhibitory factor", "xref": ["CHEMBL.TARGET:CHEMBL1926491"], "id": "UniProtKB:P34884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJZDCJHUYUBGHJ-WQLSENKSSA-N", "SMILES:NCCN1C(=O)S/C(=C\\CCC2CCCCC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508791", "category": ["biolink:ChemicalEntity"], "name": "DIECKOL", "xref": ["InChIKey:DRZQFGYIIYNNEC-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(Oc4c(O)cc(Oc5c(O)cc(O)c6c5Oc5c(O)cc(O)cc5O6)cc4O)cc2O3)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1928924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPRVPJHTCHPJMT-PHEQNACWSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2cc(C(=O)/C=C/c3cccc(OC)c3OC)c(O)cc2O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCPVBRXPKINWTP-NXZHAISVSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cc(C(=O)/C=C/c3ccc(OC)c(OC)c3)c(O)cc2O)cc1OC"]}
{"name": "NF-kappa-B inhibitor alpha", "xref": ["CHEMBL.TARGET:CHEMBL1926493"], "id": "UniProtKB:Q9Z1E3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIJREDKEDORFEO-UHFFFAOYSA-N", "SMILES:CSc1ccc(COCC#CC(O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOQDOFLGVFJGBQ-UHFFFAOYSA-N", "SMILES:CSc1ccc(COCC#CC(O)c2ccc(C(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYSMQCKPUBDDNV-FLIBITNWSA-N", "SMILES:CN(CCF)c1ccc(/C=C\\c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYSMQCKPUBDDNV-DHZHZOJOSA-N", "SMILES:CN(CCF)c1ccc(/C=C/c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STINMKQPTUMWHK-FLIBITNWSA-N", "SMILES:CN(CCF)c1ccc(/C=C\\c2nc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STINMKQPTUMWHK-DHZHZOJOSA-N", "SMILES:CN(CCF)c1ccc(/C=C/c2nc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVVHNMMUUUGHW-FLIBITNWSA-N", "SMILES:CN(CCF)c1ccc(/C=C\\c2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVVHNMMUUUGHW-DHZHZOJOSA-N", "SMILES:CN(CCF)c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPBMWZEPJHUOQ-XFXZXTDPSA-N", "SMILES:CN(CCF)c1ccc(/C=C\\c2nc3ccccc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPBMWZEPJHUOQ-FMIVXFBMSA-N", "SMILES:CN(CCF)c1ccc(/C=C/c2nc3ccccc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235934", "category": ["biolink:ChemicalEntity"], "name": "CLAUSINE E", "xref": ["InChIKey:ZWPODTIRGFOENJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(O)c2[nH]c3ccccc3c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL454803", "category": ["biolink:ChemicalEntity"], "name": "4'-O-ACETYLPATENTIFLORIN B", "xref": ["InChIKey:HJHZDTVOGKTIQP-MHRHUJCJSA-N", "SMILES:COc1cc2c(O[C@H]3O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL505932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGZOLFCSSJAKB-BLWCVCJGSA-N", "SMILES:COc1cc2c(O[C@@H]3O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1929100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHISRMCUGWIJOZ-RHBRGQBASA-N", "SMILES:COc1cc2c(O[C@@H]3O[C@H](COCc4ccccc4)[C@@H](O)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRPJJWZJNDZAH-KGVIJJJASA-N", "SMILES:COc1cc2c(O[C@@H]3O[C@@H]4CO[C@@H](C)O[C@H]4[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQRKJDOFDJDYEH-VYPFXDSDSA-N", "SMILES:COc1cc2c(O[C@@H]3O[C@@H]4COC(C)(C)O[C@H]4[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSXOVPQWAKFGZ-YYHXATGCSA-N", "SMILES:COc1cc2c(O[C@@H]3O[C@@H]4CO[C@@H](C(C)C)O[C@H]4[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALQZOVPKQMKKHG-HFSDZXIBSA-M", "SMILES:CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)C)CC2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGGCLYHAJDEFPH-UAYJJFOUSA-M", "SMILES:CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALQZOVPKQMKKHG-ZJXXCOCUSA-M", "SMILES:CCCCCCCCc1ccc([C@H]2CC[C@@H]([N+](C)(C)C)CC2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGGCLYHAJDEFPH-GMFOKBBGSA-M", "SMILES:CCCCCCCCc1ccc([C@H]2CC[C@@H]([N+](C)(C)CCC)CC2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTSRDLIOQLJCJ-GMFOKBBGSA-M", "SMILES:CCCCCCCCc1ccc([C@H]2CC[C@@H]([N+](C)(C)C(C)C)CC2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXAKBDWNWQVONP-HQPOOZHGSA-M", "SMILES:CCCCCCCCc1ccc([C@H]2CC[C@@H]([N+](C)(C)CCO)CC2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVALAYLVPWLNQN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(SCc3ccc(Br)cc3)n2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXZYONBCKDRFGU-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3cccc(Cl)c3)n2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYCGJAVKHRDNCK-UHFFFAOYSA-N", "SMILES:CN(CCCCc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCCMWEDCWKHMTC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCCN1CCc2ccc([N+](=O)[O-])cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590", "category": ["biolink:ChemicalEntity"], "name": "MENADIONE", "xref": ["InChIKey:MJVAVZPDRWSRRC-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)c2ccccc2C1=O"], "synonym": ["Menadione", "Menadione", "Menadione", "1,4-naphthalenedione, 2-methyl", "Menadione", "Vitamin k 3", "Vitamin k3", "NSC-4170", "Kayquinone", "Menadione"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1927048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZXXNPOYQCLXRS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(N)cc1"], "chembl_natural_product": true}
{"name": "Bone morphogenetic protein 2", "xref": ["CHEMBL.TARGET:CHEMBL1926496"], "id": "UniProtKB:P12643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1467165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCPZKNBPMSYND-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1321401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCZFKFSOQONBM-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEZFYLWJKRTGDZ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc3[n+](cc2c1OCCCCOc1ccccc1O)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKTSXRHLYUJTSU-QHCPKHFHSA-N", "SMILES:COc1ccc(N2CCN(C[C@H](O)COc3cc4c(c5c3CCCC5)CCCC4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPFSVEKWCKWVLI-DEOSSOPVSA-N", "SMILES:CCCCc1ccc([C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXTDBNDGQWAIKW-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJDLSDRRRGLBI-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYDVGAFXMZFSBM-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2nc1NCCOc1ccc(CN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLCQRAIQXFEUAC-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(OCCNc2nc3ccccc3nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDODFSDMGLTDF-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2nc1C(=O)Nc1ccc(CN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHFDBMABRTSHC-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2nc1CNc1ccc(CN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCBAOTWERXLAP-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXETXZMUJRUDKO-UHFFFAOYSA-N", "SMILES:Cl.O=C1C2CCCCN2C(=O)N1CCCCNCC1CCc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBQGMJPRAULFF-UHFFFAOYSA-N", "SMILES:Cl.O=C1C2CCCN2C(=O)N1CCCCNCc1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXXVVISNAVVLLD-QFIPXVFZSA-N", "SMILES:COc1ccc(-c2ccc(-c3cccc(NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPVCIIQTQOJCNY-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMAVRMFAHFSTPE-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2nc(NCCc3ccc(F)cc3)nc(NCCc3ccc(F)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCUAFUMMCRCDTQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL139367", "category": ["biolink:ChemicalEntity"], "name": "PERAMIVIR ANHYDROUS", "xref": ["InChIKey:XRQDFNLINLXZLB-CKIKVBCHSA-N", "SMILES:CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N"], "synonym": ["Peramivir anhydrous", "RWJ-270201", "RWJ-270201-162 ANHYDROUS"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL1795169"], "id": "UniProtKB:Q9IGQ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:88776"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBKBQAAWUOYOW-CKIKVBCHSA-N", "SMILES:CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECWIGXEKGOONP-YPKJBDGSSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)Cc1c[nH]cn1)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1929025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOUMRQRJVFZBHB-BEAAOXLFSA-N", "SMILES:CC(=O)OC[C@]1(O)CO[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1929026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBVFTJNUYZVQL-CLFUFSEMSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1929027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDELFAUOHDSZJL-CPGGTDLHSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1926685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDELFAUOHDSZJL-KINVIYQBSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1929192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYXSWDCPHRTYGU-VYARGGPUSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1929024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPJMCCYDZFCBL-PJRUTDBJSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1929193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYXSWDCPHRTYGU-RVCYDTIBSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL251766", "category": ["biolink:ChemicalEntity"], "name": "KAEMPFERITRIN", "xref": ["InChIKey:PUPKKEQDLNREIM-QNSQPKOQSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1929194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQKJHRWPYLYKM-IFHXNFKFSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@H]4OC[C@@](O)(CO)[C@@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1934363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAILSFBFPLHHAY-WUXMJOGZSA-N", "SMILES:O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1"]}
{"name": "Perforin-1", "xref": ["CHEMBL.TARGET:CHEMBL5480"], "id": "UniProtKB:P14222", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQHQALGVQDTJDN-XNTDXEJSSA-N", "SMILES:COc1c2occc2c(OC/C=C(\\C)CCC=C(C)C)c2ccc(=O)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL508648", "category": ["biolink:ChemicalEntity"], "name": "BYAKANGELICIN", "xref": ["InChIKey:PKRPFNXROFUNDE-LLVKDONJSA-N", "SMILES:COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1412710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVNCTNQAWWYAQ-OQLLNIDSSA-N", "SMILES:CC(C)=CCC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1933803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTRMEYDUCVBSDK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Cl)c(C(=O)N(C)Cc3ccccc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPSOJDNZNPBKLD-SIPLUIBHSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCSCCCCCS[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](COCc7ccc8ccccc8c7)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTBFFZSKDELTB-XKNUBBOWSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCSCCCCCS[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](COCc8ccc9ccccc9c8)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQILVPAHMDFFY-QIUTZOQLSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCSCCCCCS[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O[C@H]9O[C@H](COCc%10ccc%11ccccc%11c%10)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITIDQPLNPDQMJS-LQDRYOBXSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCC[C@@H]2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2369866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWCDILPXHUQPN-LGBANDBRSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@]2(C)CCN2C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@]2(C)CCN2C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFINVMWOBVFEMM-PFMJJPHGSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2CCCC[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVMHHVZDNUCECN-BIAFCPFJSA-N", "SMILES:O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@@]2(CCN(C3CCCNC3)C2)c2ccccc21"]}
{"name": "Syk protein", "synonym": ["Tyrosine-protein kinase SYK"], "xref": ["CHEMBL.TARGET:CHEMBL1932898"], "id": "UniProtKB:P48025", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGBSKNKMLNQHSJ-LUTIACGYSA-N", "SMILES:O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@@]2(CCN(C3CCNC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBXCZIGHFUUSQ-VWLOTQADSA-N", "SMILES:O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@@]2(CCN(C3CCNCC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABNVVKAVWJYHCL-BIAFCPFJSA-N", "SMILES:O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN(C3CCCNC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHCAEDIXCJNLS-QHCPKHFHSA-N", "SMILES:O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN(C3CNC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOMEWMABYLMHK-SANMLTNESA-N", "SMILES:CN1CCC(N2CC[C@@]3(CN(C(=O)c4cc5cc(F)ccc5[nH]4)c4ccccc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCFBUZYRXPVGQV-IHZSNKTASA-N", "SMILES:O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN(CC3CCCNC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJWKDBLIXZGGV-YQAGWJQESA-N", "SMILES:CCN1CCCC(N2CC[C@@]3(CN(C(=O)c4cc5cc(F)ccc5[nH]4)c4ccccc43)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDMKUDNKZWHZNN-SANMLTNESA-N", "SMILES:O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN(C3CCCCC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFQQCQMPMIYINM-SANMLTNESA-N", "SMILES:Cc1ccc(N2CC[C@]3(C2)CN(C(=O)c2cc4cc(F)ccc4[nH]2)c2ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBIWAICPWJEDQW-BIAFCPFJSA-N", "SMILES:Cc1ccc2[nH]c(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKRVXMUKQBPJW-LYIYLXCWSA-N", "SMILES:COc1ccc2[nH]c(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKUGOQDRNOECQX-LYIYLXCWSA-N", "SMILES:COc1ccc2cc(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATTQMMYACVSETC-LYIYLXCWSA-N", "SMILES:NC(=O)c1ccc2cc(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBGJLMJHZXMHNJ-BIAFCPFJSA-N", "SMILES:N#Cc1ccc2cc(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZWACXAMTSGJSU-ODOSRFNGSA-N", "SMILES:O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@@]2(CCN(C3CCNC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHSNABZISUYPK-LUTIACGYSA-N", "SMILES:O=C(c1cc2ccc(F)cc2[nH]1)N1C[C@@]2(CCN(C3CCNC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRJWFOMOOANJW-ZPSVPHQNSA-N", "SMILES:C[C@@H]1CCC(N2CC[C@@]3(CN(C(=O)c4cc5ccccc5[nH]4)c4ccccc43)C2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYPHZBOANNRFAS-SJYXBQAKSA-N", "SMILES:C[C@@H]1CCC(N2CC[C@@]3(CN(C(=O)c4cc5ccc(F)cc5[nH]4)c4ccccc43)C2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKUUMSASAHOWGZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc2cc3n(c2c1)CCCNC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOGXKUIUCBUPAH-IMQHTZNOSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSHZPTCZLWATBZ-CSKARUKUSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL474682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGSYOTSSTZUGIA-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBNYUSXDBHELA-DHZHZOJOSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccccc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL389328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLSRHQHCDTOGH-VQHVLOKHSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL105310", "category": ["biolink:ChemicalEntity"], "name": "2',4'-DIHYDROXYCHALCONE", "xref": ["InChIKey:JUMSUVHHUVPSOY-RMKNXTFCSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL182653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRQFDIWPRFKSP-RUDMXATFSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL573524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMIEHPFMMRMMN-XVNBXDOJSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL573523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AACDPQIFRBEZFP-VMPITWQZSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1935203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJPOSGMEWSBGX-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL139679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQASVHPTJNWRJB-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL317469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNGQVJAKLIYDG-JXMROGBWSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL229907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAAPAFSEMHJNTF-BJMVGYQFSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(OC)cc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL262597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTAHPCCLORHHM-XBXARRHUSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL260597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNMOBIPLWIWDF-RMKNXTFCSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2ccc(OC)cc2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL405022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODHIKTBXCYVAFQ-RMKNXTFCSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccccc2Cl)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL406861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHLSUYKYJMBFH-RUDMXATFSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1935204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVSDBGRDRJIGTO-XVNBXDOJSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL36584", "category": ["biolink:ChemicalEntity"], "name": "METOCHALCONE", "xref": ["InChIKey:HVAKUYCEWDPRCA-IZZDOVSWSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1"], "synonym": ["Metochalcone", "Metocalcona", "NSC-97905"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1935205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVLLUWABVOODQ-WEVVVXLNSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL241781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTVRJYQEXYLJX-JXMROGBWSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccccc2Cl)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL138662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIPIMPITDGVGQS-BJMVGYQFSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1935206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANAKQAEEKWAQH-XVNBXDOJSA-N", "SMILES:COc1cc(OO)ccc1C(=O)/C=C/c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243829", "category": ["biolink:ChemicalEntity"], "name": "FLAVOKAWAIN A", "xref": ["InChIKey:CGIBCVBDFUTMPT-RMKNXTFCSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2c(O)cc(OC)cc2OC)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL243830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEBBHGDAHZDJTP-FNORWQNLSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL252869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXFAXZRQRCABV-BQYQJAHWSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccccc2Cl)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL36619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGUURGSSDZPQG-UXBLZVDNSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVWDGQCMVBWDD-VMPITWQZSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDJSQKNDLOBLB-VQHVLOKHSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJAYGIKWBKGYJF-WEVVVXLNSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJKQYUTPDOVQI-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQCOOZSDMTDDH-MDWZMJQESA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1935211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOXZKEBKRSOYMQ-YRNVUSSQSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1935212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWVNUOUJXQVQQ-FMIVXFBMSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJPYJWSNRGAPDC-ZRDIBKRKSA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)c1ccc2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDAZTFQWAZVCC-KPKJPENVSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)c1ccc2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJIQEOVQSCJKX-UXBLZVDNSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1935216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXHOOQGFLTMQH-ZRDIBKRKSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWAFUBVKLOPFCL-XYOKQWHBSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2c(O)ccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZANAXFCPDVMLE-JXMROGBWSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2c(O)ccc3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEGMUZITYCZNV-PKNBQFBNSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2c(O)ccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUBRJKWDXVFIA-ZRDIBKRKSA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHTYQZALRBUBBT-YRNVUSSQSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGEQQCFMQFDXNO-RMKNXTFCSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGFJOARXWKCIE-XYOKQWHBSA-N", "SMILES:COc1ccc(/C=C(\\C#N)c2nc3ccccc3[nH]2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQAYKRJOOBBTO-ZRDIBKRKSA-N", "SMILES:N#C/C(=C\\c1ccc(-c2cccs2)s1)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGIEGNUHYBCIJ-QKVQOOBNSA-N", "SMILES:Cl.OC[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"name": "Lysosomal alpha-mannosidase", "xref": ["CHEMBL.TARGET:CHEMBL1932902"], "id": "UniProtKB:Q29451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKCRGWPHYHUMAC-LJTMIZJLSA-N", "SMILES:C[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLWHWNHGNRPPBH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)NC(CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLWHWNHGNRPPBH-QFIPXVFZSA-N", "SMILES:O=C(Nc1ccccc1C(=O)N[C@@H](CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLWHWNHGNRPPBH-JOCHJYFZSA-N", "SMILES:O=C(Nc1ccccc1C(=O)N[C@H](CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKOSIMBVSXDSN-YGBBJINDSA-N", "SMILES:CCOP(=O)(CCOCCOCCOCCOC(=O)NCc1cn(CCCCCNC(=O)CCC(=O)N[C@@H](CCCCNC(=O)CCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(=O)NCCCCCNC(=O)c2ccc(-c3c4ccc(=[N+](C)C)cc-4oc4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nn1)Oc1ccc([N+](=O)[O-])cc1"]}
{"name": "Probable carboxylesterase 12", "xref": ["CHEMBL.TARGET:CHEMBL1932906"], "id": "UniProtKB:Q9SMN0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZIJJLXVCAPXNY-UHFFFAOYSA-N", "SMILES:CCOP(=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1"]}
{"name": "Probable thylakoidal processing peptidase 2, chloroplastic", "xref": ["CHEMBL.TARGET:CHEMBL1932907"], "id": "UniProtKB:Q9M9Z2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"name": "Serine carboxypeptidase-like 48", "xref": ["CHEMBL.TARGET:CHEMBL1932908"], "id": "UniProtKB:Q56WF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"name": "Probable carboxylesterase 7", "xref": ["CHEMBL.TARGET:CHEMBL1932909"], "id": "UniProtKB:Q9ZQ91", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXTIQNVRQFGTLH-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)OCCOCCOCCOCCP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXAYXAYBDOMUDU-RTBURBONSA-N", "SMILES:C=CCCCCCCC[C@H]1C(=O)O[C@@H]1CCc1ccccc1"]}
{"name": "ATP-dependent Clp protease proteolytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL1932910"], "id": "UniProtKB:Q2G036", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBHVHPLFRGISDD-QZTJIDSGSA-N", "SMILES:C=CCCCCCCC[C@H]1C(=O)O[C@@H]1CCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCRGOGGGWKWZQW-DNQXCXABSA-N", "SMILES:C=CCCCCCCC[C@H]1C(=O)O[C@@H]1CCCCCNC(=O)c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBJSAIKLQCVLZ-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1"]}
{"name": "Histone acetyltransferase KAT5", "xref": ["CHEMBL.TARGET:CHEMBL5750"], "id": "UniProtKB:Q92993", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTRYOKFPJRYRF-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1C(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJFNJBVPJBPZOE-UHFFFAOYSA-N", "SMILES:CC(C)CCCC(C)CCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCULPROBFMYQB-UHFFFAOYSA-N", "SMILES:CCCCCCCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOVCJHQNRBIKOU-UHFFFAOYSA-N", "SMILES:CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECMMFCTNKNJEF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1"]}
{"name": "Histone acetyltransferase KAT5", "xref": ["CHEMBL.TARGET:CHEMBL1932911"], "id": "UniProtKB:Q99MK2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMKECIXYGQWGJ-XJDUUOHVSA-N", "SMILES:CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[125I])c1ccccc1"]}
{"name": "Sodium- and chloride-dependent glycine transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL4556"], "id": "UniProtKB:P28572", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUIYGZCGOUOSV-VEBUABNOSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCl)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"name": "Precursor of the S-layer proteins", "xref": ["CHEMBL.TARGET:CHEMBL1938206"], "id": "UniProtKB:Q183M8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272563"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGVKOHWJRKTHG-NTLWEQJWSA-N", "SMILES:C[C@H](NC(=O)CCl)C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIBYBCVNYBQKX-MXBUBSDBSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CCl)C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WERVOCNQYKSCRL-NTLWEQJWSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCNC(=O)[C@H](CO)NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDAKUHMIHHUCPX-JMGXANPYSA-N", "SMILES:CCOC(=O)/C=C/[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWVIZQBZCPDJD-HWQRBYODSA-N", "SMILES:CCOC(=O)/C=C/[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXMOIRVBKUAEJX-LMENJMILSA-N", "SMILES:CCOC(=O)/C=C/[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC(C)=O"]}
{"name": "Cell surface protein", "synonym": ["Cell surface protein cwp84"], "xref": ["CHEMBL.TARGET:CHEMBL1938207"], "id": "UniProtKB:Q183M1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272563"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQJUPNKTYNFBRZ-UHFFFAOYSA-N", "SMILES:CC(C)c1nnc2ccc(Sc3ccccc3CNC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHKWHBPRKFKKF-UHFFFAOYSA-N", "SMILES:CCNC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRZOFSUISHPPAA-UHFFFAOYSA-N", "SMILES:CSC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(C(C)C)n3c2)n(-c2cccc(O)c2)n1"]}
{"name": "Mitogen-activated protein kinase kinase kinase kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL6166"], "id": "UniProtKB:O95819", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase 14", "xref": ["CHEMBL.TARGET:CHEMBL4825"], "id": "UniProtKB:P70618", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLIHQHQPGAWJCM-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(F)cc2N1"]}
{"name": "Pyruvate kinase PKM", "xref": ["CHEMBL.TARGET:CHEMBL1075189"], "id": "UniProtKB:P14618", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYRJMKLTOVDJSG-MELONOIFSA-N", "SMILES:C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C[C@@H](Br)C(=O)[C@@H](C)[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1940080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPZLRBLESJUMQO-CEMRCVNMSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@H]3[C@H](C)C(=O)[C@H](Br)C[C@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1940081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFWRIXCZNNWIBA-OLNSGIQNSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@H]3[C@H](C)C(=O)CC[C@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1940084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMWJLZZXAZJJIY-OLNSGIQNSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@H]3[C@H](C)C(=O)C=C[C@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL482818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHCQFAUWWAMRPG-CSPKTOEMSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@H]3[C@H](C)[C@@H](O)C=C[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKFUYQHESIDKSK-KHYORFNHSA-N", "SMILES:C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C=CC(=O)[C@@H](C)[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1940101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMXJFOYZAORBK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ncccc1O"]}
{"name": "Eukaryotic translation initiation factor 2-alpha kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL1938213"], "id": "UniProtKB:Q9Z2R9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL534675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCOMBKZFUMALE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVJTESJTQUVOU-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRBQWXYKYOJHCY-CVTNGHOSSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](n3[se]c4ccccc4c3=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRRKZLLUNQMGW-CSKARUKUSA-N", "SMILES:COc1cc(O)ccc1/C=C/C(=O)OCCCc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458235", "category": ["biolink:ChemicalEntity"], "name": "12-EPI-SALVINORIN A", "xref": ["InChIKey:OBSYBRPAKCASQB-KWMFLVSKSA-N", "SMILES:COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](c3ccoc3)C[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1941031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICVTXAUKIHJDGV-BXEHRHDKSA-N", "SMILES:CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445332", "category": ["biolink:ChemicalEntity"], "name": "SALVINORIN A", "xref": ["InChIKey:OBSYBRPAKCASQB-AGQYDFLVSA-N", "SMILES:COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"], "synonym": ["Salvinorin a", "(-)-salvinorin a", "Divinorin a", "Salvinorin", "Salvinorin a"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL895", "category": ["biolink:ChemicalEntity"], "name": "NALBUPHINE", "xref": ["InChIKey:NETZHAKZCGBWSS-CEDHKZHLSA-N", "SMILES:Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314"], "synonym": ["Nalbuphine", "Nalbuphine", "Nalbuphine", "Nalbufina", "Nalbuphine", "Intapan", "Nalbuphine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1938687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANUYYBKDVBEBT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(o2)-c2nncn2-c2ccc(N4CCNCC4)cc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJBIIHNLZVSQS-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cc3c(o2)-c2nccn2-c2ccc(N4CCNCC4)cc2OC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLZIIHMTTRXXIN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1"], "synonym": ["NSC-79888"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1379243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKAZEVUZAKRWHB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1c(O)nc2ccccc2c1O"], "synonym": ["NSC-675972"], "chembl_natural_product": true}
{"name": "Eukaryotic translation initiation factor 2-alpha kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL6029"], "id": "UniProtKB:Q9BQI3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDFQSYCBWPRQK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRIGDXFCPJWAEK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3217204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOCHOPTMHCOFI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCCN1CCNCC1.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBFROQDGZCMCE-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRUVEHMIVRQGU-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc34)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GERTXWLPZYPXBE-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(N(C)C)cc4)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTLBXDXENSMYGU-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(N(C)C)cn4)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYSDUQPAIATDAA-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc(N(C)C)cn4)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFZPZGREYNUPH-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDYUDURNXPNMA-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNALTDCQOTWLI-UHFFFAOYSA-N", "SMILES:COCCOc1cc2c(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSEYUXXMDLYZKE-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OCCN5CCCCC5)cc34)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDTYPFSLIFJAT-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OCCN5CCCC5)c(OC)cc34)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZFINWQTYEKJR-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)cc(OC)c34)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWQPGCGRCTSIN-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2cc(Oc3ccnc4cc(OC)c(C#N)cc34)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZTCZQRXCIAJMP-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2cc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDDLXDTWOAENKE-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSAFHDPEDTWNLQ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)Cc2cc(Oc3ccnc4cc(OC)c(OC)cc34)n[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZUXIBNCYTQAV-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(CC(=O)Nc4ccc(N(C)C)cn4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFZLDRFGXXMKES-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYBBLITYOSZKC-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cc2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXUOKDYYPUDQY-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYXETLFKQALDE-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)NCc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTHOTEZEHTUKLO-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)NCc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYLLQWXUGUNWBE-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJCVIDKNLTFQF-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTHZKRCTBBAOW-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFGHOWVIROTAV-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXPNIATGYCXGR-UHFFFAOYSA-N", "SMILES:CCc1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSUCZQRKHASNA-UHFFFAOYSA-N", "SMILES:CCn1ccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYMHSPGVOWRQC-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cn[nH]c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNIJHXFMJVFHLF-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(C)c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJTVHTAPKJNNGR-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCWBZCSGNCOMQ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGHYVHLTQUXGX-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(CC(=O)Nc4cnn(C(C)C)c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1941055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYYBJJIRLBFHF-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBPOVHXUKYASOM-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREXQSXQFGJSPD-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZNLZVOKJVBPC-OKILXGFUSA-N", "SMILES:CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@@H](OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1941061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVIRYRWXZFDIP-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1cc(CC)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1941063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOWFKIGORLIVGO-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWCUZFFVUDIMG-QGZVFWFLSA-N", "SMILES:CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2ncccn2c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTTATJOVBZKTFT-GOSISDBHSA-N", "SMILES:CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2ccccn2c(=O)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIKNCQOTMSZCCM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNSDWMLOQWSYEZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2cc(C(N)=O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOOFSFSYIFVGA-UHFFFAOYSA-N", "SMILES:C1=CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBKTQWAORGGJI-UHFFFAOYSA-N", "SMILES:Clc1ccc(OCCCN2CC=CCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLNNODLEXBFJDM-UHFFFAOYSA-N", "SMILES:CC1=CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75228", "category": ["biolink:ChemicalEntity"], "name": "1-PHENETHYLPIPERIDINE", "xref": ["InChIKey:DBDVAKGHPZJLTH-UHFFFAOYSA-N", "SMILES:c1ccc(CCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLRACCBDVIHHLZ-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2ccccc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1938480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDIVKRNESAIBHZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CCN2CC=CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOIDRNFPRZOCJE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C2CCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRYXTPSNXWOGLW-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CC(C)(C)O3)c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEXGEMINOWQLM-QYLYAQENSA-N", "SMILES:CC[Si](CC)(CC)O[C@@H]1C[C@H](C)C[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1[C@](C)(CO)C[C@H](O)C[C@@]21C"]}
{"name": "Protein phosphatase 1D", "xref": ["CHEMBL.TARGET:CHEMBL1938224"], "id": "UniProtKB:O15297", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPYUCGQEHIXTF-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBPJILZALYMRV-UHFFFAOYSA-N", "SMILES:Clc1ccc(-n2cc(-c3ccncc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNEPZGYORBGUCH-UHFFFAOYSA-N", "SMILES:Clc1cccc(-n2cc(-c3ccncc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODSVIRSDGEVDW-UHFFFAOYSA-N", "SMILES:Clc1ccc(-n2nncc2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL303351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGWICGXEHUUKCB-UHFFFAOYSA-N", "SMILES:Clc1cccc(-n2nncc2-c2ccncc2)c1"]}
{"name": "Dual specificity tyrosine-phosphorylation-regulated kinase 1B", "xref": ["CHEMBL.TARGET:CHEMBL5543"], "id": "UniProtKB:Q9Y463", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLIBVIKPNLZYSQ-AATRIKPKSA-N", "SMILES:CN(C)Cc1cc(/C=C/c2ccc(O)c(CN(C)C)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFCABYIFKGDPX-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(Cl)c(Cl)cc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOJYBXTWFNRUTA-VMPITWQZSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(Br)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQKYDWGMDALSOQ-YRLAADBYSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTLZGMOBMLQDQ-IVECXGJCSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCEKVWGKCWGOBX-DBZIORCRSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJFBJGKNWBOYDS-NGKXTOPJSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1Sc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMVDUGQVVFQSHP-DDMCLGOPSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1cccc2c1oc1ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFHCKZRKVAUXAB-DBZIORCRSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1COc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZEXMNJYBYIHPU-BKUIHFEHSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1OCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQAKEWUKKCXSD-VNYVIAJZSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1COCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUMTLVRTBXRDU-HJDACTBTSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOARIQXXZSTJHN-DEOSSOPVSA-N", "SMILES:CCCCCCCCCCCSC[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZDQNINSCSKGTL-ZAUHYAHVSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@@H](C(=O)O)N(C)C(=O)c1ccccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHJGURHCLOZLFH-DFVHWDNKSA-N", "SMILES:CC(C)=CC/C(=C/CSC[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)O)CCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUITKYMOARRMS-FFXXTYGZSA-N", "SMILES:CCCCCCCCCCC/C=C/C(=O)CCCCOC[C@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJRKZHMKHFVGBP-RDOKFVIMSA-N", "SMILES:CCCCCCCCCCCCC(=O)/C=C/CCCOC[C@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKVVTMLLNFROQM-KEWFZMHCSA-N", "SMILES:CCCCCCCCCCCCC(=O)/C=C/CCCOC[C@@H]1COC(C)(C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQOCADHNJGAYOP-OAQYLSRUSA-N", "SMILES:CCCCCCCCCCCCC(=O)CCCCCOC[C@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRXCKKNILRDKW-WMJZSHNHSA-N", "SMILES:CCCCCCCCCCCCC(=O)/C=C/CCCOC[C@H]1CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMYZLDFUGRWQM-NCJIYNIUSA-N", "SMILES:CCCCCCCCCCCCC(=O)/C=C/CCCOC[C@@H](O)COCCOCCOCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMEFNQFOPOLYRU-WMJZSHNHSA-N", "SMILES:CCCCCCCCCCCCC(=O)/C=C/CCCOC[C@@H](O)CCl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYYSJLJQDBMKQN-MMYRTMNYSA-N", "SMILES:C#CCOC[C@@H](O)COCCC/C=C/C(=O)CCCCCCCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDTPTCBTCOWJGN-LXKWBGADSA-N", "SMILES:CCCCCCCCCCCCC(=O)/C=C/CCCCC[C@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKDTHFYJOEPQV-FMPYCDKLSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)/C=C/CCCOC[C@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1945810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZXGDLQSKSRKV-ZCFIWIBFSA-N", "SMILES:C[C@H](CO)NC1=NS(=O)(=O)c2cc(Cl)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCZWBSFGGNTCLH-QHCPKHFHSA-N", "SMILES:O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1944689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVRKTUGZYSOYMQ-QHCPKHFHSA-N", "SMILES:O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQMIQGVRKVRFTF-XSBOKVBDSA-N", "SMILES:CC(NC(C)(C)C)C(=O)c1ccc(N=[N+]=[N-])c([125I])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3084432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFVJNYZXNDMQD-PBROBROCSA-N", "SMILES:CN1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1nn(CCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)c3ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3084434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNNUCFPEURPIX-OJXFFNQFSA-N", "SMILES:CN1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1nn(CCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)c3ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3084440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMAWYVBPAWZAGD-HNJRQWSBSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(CCCOC(=O)CCCn1nc(C(=O)N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C)c3ccccc31)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYPJQZJFBLVFS-OXUFSEMMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPUNOAEWSSUNX-OXUFSEMMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWWIBWBIIAISHM-OXUFSEMMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C)C(C)C)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXAGEPJTWLMFQF-OXUFSEMMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1944725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZKEDBELZWPBM-OXUFSEMMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C)C(C)C)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDHMJEONPBNKOQ-UHFFFAOYSA-N", "SMILES:O=C1SCCC1NC(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQSROMDMOOYIC-ABCZBHHISA-N", "SMILES:CCCCCCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)CO1"]}
{"name": "Proteasome subunit beta type-9", "xref": ["CHEMBL.TARGET:CHEMBL1944491"], "id": "UniProtKB:P28076", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLSJZDZWNGIDP-DPNLQBKLSA-N", "SMILES:CCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4ccc[nH]4)C=CC2=C3)cc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHCOOXYFXFSSR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1"]}
{"name": "M-phase inducer phosphatase 3", "xref": ["CHEMBL.TARGET:CHEMBL2378"], "id": "UniProtKB:P30307", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOYKYLQAKICGEN-AREMUKBSSA-N", "SMILES:COc1ccc2c(-n3c(=O)n(Cc4cccc([C@@]5(C)OC(=O)NC5=O)c4)c4ccccc43)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOWFRRPKLKMDS-RUZDIDTESA-N", "SMILES:C[C@]1(c2cccc(Cn3c(=O)n(-c4noc5cc(Cl)ccc45)c4ccccc43)c2)OC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL339457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPYYOHCTDGHYSI-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLCSQCQQXKVRFQ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARTNWBGMVYZVIZ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCONAUUNWGJNIE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc(O)c2cccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOGCEXEWNPREA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CSSCc3cc(=O)oc4cc(OC)ccc34)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMNGCNLWNYJCE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CSSSSc3cc(=O)oc4cc(OC)ccc34)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGPBXPQAHWIIW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CSSSc3cc(=O)oc4cc(OC)ccc34)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1553873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOKYHQGRIIXMNE-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)C)cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDLOICLQKBFST-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cncc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGRCAJVHMWTCH-UHFFFAOYSA-N", "SMILES:CC(C)(CNC(=O)c1ccccc1O)CC1=C(O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVQVLVJDSWGKET-UHFFFAOYSA-N", "SMILES:CC(C)(CNC(=O)c1ccc2ccccc2c1)CC1=C(O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDCJHHRTICGYAL-UHFFFAOYSA-N", "SMILES:CC(C)(CNC(=O)c1ccc2ccccc2c1O)CC1=C(O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1944948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJZDBOXZXOGLNE-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCC(C)(C)CC2=C(O)C(=O)c3ccccc3C2=O)c(O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1944950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCFRAJTQPDHPB-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCC(C)(C)CC2=C(O)C(=O)c3ccccc3C2=O)c(OC)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486627", "category": ["biolink:ChemicalEntity"], "name": "DEOXYSHIKONIN", "xref": ["InChIKey:VOMDIEGPEURZJO-UHFFFAOYSA-N", "SMILES:CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL9416", "category": ["biolink:ChemicalEntity"], "name": "ISOBUTYLSHIKONIN", "xref": ["InChIKey:BVRYLTBIGIAADD-MRXNPFEDSA-N", "SMILES:CC(C)=CC[C@@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL397309", "category": ["biolink:ChemicalEntity"], "name": "BETA-HYDROXYISOVALERYLSHIKONIN", "xref": ["InChIKey:MXANJRGHSFELEJ-MRXNPFEDSA-N", "SMILES:CC(C)=CC[C@@H](OC(=O)CC(C)(C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL267024", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYLACRYLSHIKONIN", "xref": ["InChIKey:BATBOVZTQBLKIL-QGZVFWFLSA-N", "SMILES:CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL403516", "category": ["biolink:ChemicalEntity"], "name": "ACETYLSHIKONIN", "xref": ["InChIKey:WNFXUXZJJKTDOZ-OAHLLOKOSA-N", "SMILES:CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL9470", "category": ["biolink:ChemicalEntity"], "name": "SHIKONIN", "xref": ["InChIKey:NEZONWMXZKDMKF-SNVBAGLBSA-N", "SMILES:CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1945136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTFKMPXPXGHPX-UHFFFAOYSA-N", "SMILES:CCCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCCN(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWPKTSZSUTVGDV-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCCN(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKVOVVJGNYCBMD-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCCN(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGYHRBMFTVMJJ-UHFFFAOYSA-N", "SMILES:CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGVQLOSXPMRYBR-UHFFFAOYSA-N", "SMILES:CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBWYDPGQZBCGH-UHFFFAOYSA-N", "SMILES:CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXIAKAZLROFEZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCCC(=O)Nc1ccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXIRKZOFFMFQY-UHFFFAOYSA-N", "SMILES:CN(C)CCCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBNCTIDXQDCEPI-UHFFFAOYSA-N", "SMILES:CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJYRDPQYSMOQEK-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCCN(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTSLSXDZDEWGJ-UHFFFAOYSA-N", "SMILES:CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1436543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOWJIWFCOPZFGV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCHFIBMKLXOVLQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYIYGKCAHZIAX-UHFFFAOYSA-N", "SMILES:CN(C)CCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNJRVQQMBXVGJ-UHFFFAOYSA-N", "SMILES:CN(C)CCCCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZUFMSIIAMVMP-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCc3ccc(Br)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETACQDMBICFOM-ZWKOTPCHSA-N", "SMILES:O=C(O)[C@H]1NCCN(C(=O)c2ccc3cc(I)c4ccccc4c3c2)[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOUKAJZEGIHVAV-VXBHWDOESA-N", "SMILES:COc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950810", "category": ["biolink:ChemicalEntity"], "name": "CONICASTEROL E", "xref": ["InChIKey:JHQYKZFATHVGSL-NPNUOYCZSA-N", "SMILES:C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3[C@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL176252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUIMAMHUQKPCBR-QHHAFSJGSA-N", "SMILES:O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1"]}
{"name": "Nuclear receptor subfamily 0 group B member 2", "xref": ["CHEMBL.TARGET:CHEMBL5603"], "id": "UniProtKB:Q15466", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDOWELGBISNRC-QHHAFSJGSA-N", "SMILES:N#Cc1cc(/C=C/C(=O)O)ccc1-c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952257", "category": ["biolink:ChemicalEntity"], "name": "CYCLOCITRAL", "xref": ["InChIKey:MOQGCGNUWBPGTQ-UHFFFAOYSA-N", "SMILES:CC1=C(C=O)C(C)(C)CCC1"], "chembl_natural_product": true}
{"name": "Long-wave-sensitive opsin 1", "xref": ["CHEMBL.TARGET:CHEMBL1949482"], "id": "UniProtKB:P04000", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81379", "category": ["biolink:ChemicalEntity"], "name": "RETINAL", "xref": ["InChIKey:NCYCYZXNIZJOKI-OVSJKPMPSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1579130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCYCYZXNIZJOKI-HWCYFHEPSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C=O)C(C)(C)CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1952259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVUHPSBDNVHKL-UHFFFAOYSA-N", "SMILES:CC1CCCC(C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1952260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVUQHDFCCNKQPV-DGMOQWLZSA-N", "SMILES:CC1=C(/C=C/C(C)=C\\C=C\\C=O)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505000", "category": ["biolink:ChemicalEntity"], "name": "MURUCOIDIN V", "xref": ["InChIKey:OIBCXMKASWTFQZ-YKAIXMTBSA-N", "SMILES:CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O1)O[C@H](C)[C@H](O)[C@@H]3O)O[C@@H](C)[C@@H]2O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1OC(=O)[C@@H](C)CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL509518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBMCOZHTPQAMF-LAUDKDLHSA-N", "SMILES:CC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1949725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQPRXYGVHKQNOH-HNNXBMFYSA-N", "SMILES:C[C@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1949726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQPRXYGVHKQNOH-OAHLLOKOSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1949727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVPQYAINAPNNB-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1949728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTOBHZRTULFTF-QGZVFWFLSA-N", "SMILES:CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1949729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTOBHZRTULFTF-KRWDZBQOSA-N", "SMILES:CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQSLHOSTWBBHL-XTMBZNHYSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMAQVALJZUZIAK-AVQLNANTSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYESMRQMYHMOKJ-YGCVIUNWSA-N", "SMILES:CCCCN1CCCN=C1/C=N/O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1420", "category": ["biolink:ChemicalEntity"], "name": "PRALIDOXIME", "xref": ["InChIKey:JBKPUQTUERUYQE-UHFFFAOYSA-O", "SMILES:C[n+]1ccccc1C=NO"], "synonym": ["Pralidoxime", "Pralidoxime", "Pralidoxime", "Atnaa", "Pralidoxime", "Pralidoxime cation", "Pralidoxime ion"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1952047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COUCQLIUNAFHGU-DAHMJHCMSA-N", "SMILES:CCC/N=C(/C=N/O)N(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGNSOUSJKVTLA-ZTOBHTJDSA-N", "SMILES:CCCC/N=C(/C=N/O)N(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URIFTYUURHVWGQ-HCUGZAAXSA-N", "SMILES:CCCCN1CCN=C1/C=N/O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZXJXMHYXLRRI-FNXZNAJJSA-N", "SMILES:Cl.O/N=C/C1=NCCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTBKSAWBPZURN-AWXXIEIHSA-N", "SMILES:Cl.O/N=C/C1=NCCN1Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYDKSXNTGLLQGO-XLDILFPASA-N", "SMILES:Cl.O/N=C/C1=NCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJJVHJCQZSULTA-NBYYMMLRSA-N", "SMILES:CCCCCN1CCCN=C1/C=N/O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSMSUFNZCKPUIE-KYIGKLDSSA-N", "SMILES:Cl.O/N=C/C1=NCCCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OECRUHMYQDYDGL-OYXUYBEVSA-N", "SMILES:Cl.O/N=C/C1=NCCCN1Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNZKQVZNXPHNR-MBWSCOTQSA-N", "SMILES:Cl.O/N=C/C1=NCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIVJZOEFARWTC-PXZZYRGPSA-N", "SMILES:CCCCC/N=C(/C=N/O)N(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUNBGLHNGRSSU-GIUCJFPHSA-N", "SMILES:CC(C)CC/N=C(/C=N/O)N(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNODDMRNFUGBHC-DAHMJHCMSA-N", "SMILES:COCC/N=C(/C=N/O)N(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCGQIGKXULZETI-ZTOBHTJDSA-N", "SMILES:COCCC/N=C(/C=N/O)N(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZKOFOBFZIHGMJ-QLAYXSTRSA-N", "SMILES:CN(C)C(/C=N/O)=N\\C1CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIXZPYWHZGEMFS-SDBBDDRFSA-N", "SMILES:CN(C)C(/C=N/O)=N\\C1CCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRJWVPVGYLMBU-PZSMTCCFSA-N", "SMILES:CN(C)C(/C=N/O)=N\\Cc1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCSRITJDKONYCE-MTBPPNNYSA-N", "SMILES:CN(C)C(/C=N/O)=N\\c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHTYNRDMHCSIU-UHFFFAOYSA-N", "SMILES:CCC(O)(CC)CCCCC12CCC(COCC(O)CCO)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUVOQAGFEBBJGU-UHFFFAOYSA-N", "SMILES:CCC(O)(CC)CCCCC12CCC(COCCCC(O)CO)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMVGBVYGKZHBGH-UHFFFAOYSA-N", "SMILES:CCC(O)(CC)CCCCC12CCC(COCCC(O)CCO)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXCZVZBSIYFIES-UHFFFAOYSA-N", "SMILES:O=C(O)c1cncc(-c2ccc(N3CCC(Oc4cc(F)ccc4Br)CC3)nn2)c1"]}
{"name": "Solute carrier organic anion transporter family member 1B2", "xref": ["CHEMBL.TARGET:CHEMBL1781861"], "id": "UniProtKB:Q9QZX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFVEHQBZGQZJP-PHVLTXCSSA-N", "SMILES:CCCCCCCCC(=O)Oc1c(OC)ccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOOFAGTGBXPCQ-LWKYKDGWSA-N", "SMILES:COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCCCOc5c(OC)ccc6c5[C@@]57CCN(C)[C@@H](C6)[C@H]5C=C(OC)C(=O)C7)c4[C@]2(CCN3C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWTXUNODKMJAW-CBWOAKADSA-N", "SMILES:CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21"]}
{"name": "Pro-cathepsin H", "xref": ["CHEMBL.TARGET:CHEMBL1949491"], "id": "UniProtKB:P49935", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFWFEMREEKAKFM-FVKJYKRZSA-N", "SMILES:CCOC(=O)[C@@H]1O[C@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(NC(=O)CCCCCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](CC)c4ccc(S(=O)(=O)O)cc4C3(C)C)C(C)(C)c3cc(S(=O)(=O)[O-])ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJAHFMABFPHSI-QLNPJXOYSA-N", "SMILES:CCOC(=O)/C=C/C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/CC2=[N+](CC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFRHWHXZJYVJSY-YKCNXVAKSA-N", "SMILES:CCOC(=O)/C=C/C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(=O)CCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POEBUEAUFJAPMP-DTBXOUEHSA-N", "SMILES:BP(=O)(OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQWUSPCGJSMEW-BSCUABTQSA-N", "SMILES:BP(=O)(OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMSMGCICKBDBBV-LMHTXRDLSA-N", "SMILES:BP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLNSAXNRFWPBR-DTBXOUEHSA-N", "SMILES:BP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DATHVROBTIWOLM-BSCUABTQSA-N", "SMILES:BP(=O)(OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNEWHVDTNWPGTK-DPRLHGBZSA-N", "SMILES:BP(=O)(OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRDRVPXMUWOLST-GUUVNMLQSA-N", "SMILES:CC[C@@]1(OC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"name": "Heterogeneous nuclear ribonucleoprotein A1", "xref": ["CHEMBL.TARGET:CHEMBL1955709"], "id": "UniProtKB:P09651", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1958131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPGXPLGHYHIRV-PLSZNQMNSA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRTDHGYWAOVTQF-UHFFFAOYSA-N", "SMILES:c1cn2c(-c3cn[nH]c3)cnc(Nc3ccc(N4CCOCC4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKDKLEVJIHSSPG-UHFFFAOYSA-N", "SMILES:CN(c1ccc(N2CCOCC2)cc1)c1ncc(-c2cn[nH]c2)n2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUKQRZPCHKUAZ-UHFFFAOYSA-N", "SMILES:c1cn2c(-c3c[nH]nn3)cnc(Nc3ccc(N4CCOCC4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNHQAMAJAAXSDC-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMCXTLBXZUPRRA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHGVCPPFYQOGNK-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJPSLNOMOYYLM-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJOLEYTIFDUPC-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHVPVBVCPGYZIE-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKCCXCIFFAGLP-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDNGEFYYIKFSHM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKTMKXVQOAOJBY-UHFFFAOYSA-N", "SMILES:NC(=O)c1ncc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKMGNYNRUVACE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMFMZQFBDGJDMA-UHFFFAOYSA-N", "SMILES:O=C1NCc2cc(-c3cnc(Nc4ccc(N5CCOCC5)cc4)c4nccn34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWAHUOXSSGQNPK-UHFFFAOYSA-N", "SMILES:c1cn2c(-c3ccc4[nH]ccc4c3)cnc(Nc3ccc(N4CCOCC4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTNHAMBYWWRGL-UHFFFAOYSA-N", "SMILES:NC(=O)c1coc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRHQKCWEMQJDGE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNUNXDVKYBQMPJ-UZWKOAOVSA-N", "SMILES:CCC/C=C\\C#C/C=C/C(=O)CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1958337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIVCPRWMLOCSB-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NN2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL52030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKYOQIXTECBVBB-AWEZNQCLSA-N", "SMILES:CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2"]}
{"name": "Bromodomain adjacent to zinc finger domain protein 2B", "xref": ["CHEMBL.TARGET:CHEMBL1741220"], "id": "UniProtKB:Q9UIF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1958460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKWOONSXDDYMF-UHFFFAOYSA-N", "SMILES:CCCCCCCC(O)(C(N)=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1958461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKWOONSXDDYMF-OAHLLOKOSA-N", "SMILES:CCCCCCC[C@](O)(C(N)=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1958462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKWOONSXDDYMF-HNNXBMFYSA-N", "SMILES:CCCCCCC[C@@](O)(C(N)=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGEYFDLYGXSZCP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4ccc5c(c4)OCCO5)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULASOGJPQQFWKK-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)c2sc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)nc2N)c1"]}
{"name": "Solute carrier family 22 member 7", "xref": ["CHEMBL.TARGET:CHEMBL1955711"], "id": "UniProtKB:Q9Y694", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1958467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSZMSABYRDJJH-CPUMGYLUSA-N", "SMILES:COC(=O)c1sccc1S(=O)(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMUUYEKBFCANOW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(C)(C)C)cc(C(C)C)c1CO"]}
{"name": "Vasoactive intestinal polypeptide receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1955712"], "id": "UniProtKB:P30083", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBYBLWEOQHEDF-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2cccc(C(F)(F)F)c2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDIJLMUJOCIRMD-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2cccc(C#N)c2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOIVZIUIPZEGRY-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2ccccc2-c2ccccc2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGXUDRZYPONHCS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDBVKIKXYCVDI-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(C(C)(C)C)cc(C(C)C)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTLFEMUURZLGO-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2ccc(F)cc2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUQDQHFSQYTAL-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2ccc(-c3ccccc3)cc2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXWCYHNACLITP-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2ccccc2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GERNXALRDMYNPZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2cccc(N(C)C)c2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDAIQJBPEMJZLQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFRYTLOYPZADB-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2ccc(Cl)cc2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUKAFVZSHMPTA-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBFDLYXSRSOVMF-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2cccc(-c3ccccc3)c2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYMFQIRBBERRX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZVDWWPWKSMOW-UHFFFAOYSA-N", "SMILES:CSc1cccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUANCDGWNOSIV-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2cccc3ccccc23)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCTONOXJZGFRGY-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2ccc3ccccc3c2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUVPNIMXJHQNA-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)(C)C)cc(-c2cccc(Cl)c2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJTXYKEBKDNCR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1412798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJUHOMXJHGRKV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1sc2c(c1C#N)CCCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1956428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIQULTXYCPXNMG-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1sc2c(c1C#N)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1632048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQBJUFKTHOGLQ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1sc2c(c1C#N)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHGCYTUJJWHCM-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1sc2c(c1C#N)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYQQRFQUSNVLD-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)C2CC2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDMWTBLPMTLGU-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)C2CCC2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQBACAQJWHDLO-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)C2CCCC2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABPUSRRADTLAQ-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)C2CCCCC2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAECXGNGYGUEJS-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)Cc2ccccc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFULSLXRHNJOEO-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)CCc2ccccc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEZCABSQHJYXEM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBLNYCBMPNUGH-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLIAFBWUJUWJGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOABVINOKVQLKZ-UHFFFAOYSA-N", "SMILES:COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXFGPXLLSGRSI-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOWKQMUGAQZWET-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)CCc2ccc(Cl)cc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUPLUOIZZIIIL-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)Cc2cc3ccccc3s2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDVNKYKJRQCMIR-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)CC2Cc3ccccc3O2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDMLPWVVYBXYFV-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)Cc2cc3ccccc3[nH]2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWODEMDREUGVCA-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)C2CCc3ccccc3C2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKJZVFOGFDFRO-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)C2Cc3ccccc3C2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHTHSHPGHBEQIG-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)COc2ccccc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXRASXESHHBEI-UHFFFAOYSA-N", "SMILES:CCC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDCMTCOALMMMX-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)NCc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)C(=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPFJXXXBWLPEM-LAPANCLDSA-N", "SMILES:CC/N=C(/C=N/O)N(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYQFALMQIPZOFY-BIFKCLKRSA-N", "SMILES:C/N=C(/C=N/O)N(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYWSOZVHVLUCIA-DINUCKIJSA-N", "SMILES:CN(C)C(=N)/C=N/O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSRAVGLLFFTHO-UHFFFAOYSA-N", "SMILES:c1cncc(-c2csc(-c3ccncc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXAMFEXHKCHEHF-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2csc(-c3ccncc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WROYMBIVFWYNSA-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2csc(-c3cccnc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWOWYLWXAGOBPH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(-c3ccncc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMVDBEYZQDVLSY-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2csc(-c3ccncc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNFIGQBBKZOQSH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(-c3cccnc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWRPRHCWKTPSA-UHFFFAOYSA-N", "SMILES:N#Cc1cc2ccccc2nc1-c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHJKBTCUTNBMJI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3ccccc3cc2C#N)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZRGJLPEPNABE-UHFFFAOYSA-N", "SMILES:N#Cc1cc2ccccc2nc1-c1c[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DANDXQLIVHXSOV-UHFFFAOYSA-N", "SMILES:N#Cc1cc2ccccc2nc1-c1c[nH]c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUSPUCODTVZCPZ-UHFFFAOYSA-N", "SMILES:N#Cc1cc2ccccc2nc1-c1c[nH]c2cc(F)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPJLLVABORUTD-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3nc4ccccc4cc3C#N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDWHKZUXXIWDPQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3nc4ccccc4cc3C#N)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBASNQGENGKGSO-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3c[nH]c4ccccc34)c(C#N)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASJGPFAVONEYIP-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3c[nH]c4ccc(Cl)cc34)c(C#N)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMBCNGGIESKENQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3c[nH]c4ccc(Br)cc34)c(C#N)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDXCGJIOYLUHH-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3nc4ccc(C)cc4cc3C#N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMCLAVIYVMLPKW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3nc4ccc(C)cc4cc3C#N)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270299", "category": ["biolink:ChemicalEntity"], "name": "BAY-11-7085", "xref": ["InChIKey:VHKZGNPOHPFPER-ONNFQVAWSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1"], "chembl_natural_product": true}
{"name": "CASP8 and FADD-like apoptosis regulator", "xref": ["CHEMBL.TARGET:CHEMBL1955713"], "id": "UniProtKB:O15519", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1961796", "category": ["biolink:ChemicalEntity"], "name": "SR9009", "xref": ["InChIKey:MMJJNHOIVCGAAP-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1"], "chembl_natural_product": true}
{"name": "Nuclear receptor subfamily 1 group D member 1", "xref": ["CHEMBL.TARGET:CHEMBL1961783"], "id": "UniProtKB:P20393", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1961797", "category": ["biolink:ChemicalEntity"], "name": "SR9011", "xref": ["InChIKey:PPUYOYQTTWJTIU-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1"], "chembl_natural_product": true}
{"name": "Nuclear receptor subfamily 1 group D member 2", "xref": ["CHEMBL.TARGET:CHEMBL1961784"], "id": "UniProtKB:Q14995", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1618631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIIVMSZGSFSEHF-UHFFFAOYSA-N", "SMILES:CC(C)NCc1cc(Br)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZWAKFMBLJCHI-UHFFFAOYSA-N", "SMILES:Brc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJAPAJNDQQTHRE-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NCc1cc(Br)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1907216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PREAXUKGCQUJBJ-UHFFFAOYSA-N", "SMILES:Brc1ccc(OCc2ccccc2)c(CNCC2CCCO2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1621896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POCCWDXEMQOTQF-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1CN1CCCC(C(=O)N2CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUZKJGOSIGMDHS-UHFFFAOYSA-N", "SMILES:COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZYSLHTWOJFPSJ-UHFFFAOYSA-N", "SMILES:COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIAGBFGSWWMDH-CWYJJERCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSGNCKCWJSWXFU-XZAMJADMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGNSCRKOXJWQI-IYNOOLQUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWLXIDZEYSYFHQ-IYNOOLQUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSNYRJQFQDHXEN-XZAMJADMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAKKOOBNDYQRTC-IMTNQCTCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVOHIUUNGRHKCS-INEKUUKHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCICXQGMYAOHBI-YZMPCICVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYXVOGQMZRJOH-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIXVIYBKPOBJW-UHFFFAOYSA-N", "SMILES:Cc1c(C#Cc2ccccc2)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJVHKMEFSMMFG-SJIIYNIPSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S/C2=N\\c2ccc(C(F)(F)F)cc2)cc1"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL3336"], "id": "UniProtKB:P35821", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQQGEXGFLBXEX-SJIIYNIPSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S/C2=N\\c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGXOXVSAUAUSH-PDBIHYPHSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc4ccccc4c3)S/C2=N\\c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYNMMCAQHPZHCX-VFHDLGNDSA-N", "SMILES:COc1ccc(/N=C2\\S/C(=C\\c3cccc(Oc4ccccc4)c3)C(=O)N2Cc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDHZNCZGGNFBK-VFHDLGNDSA-N", "SMILES:COc1ccc(/N=C2\\S/C(=C\\c3ccc(Oc4ccccc4)cc3)C(=O)N2Cc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZVOCOSSAZIRB-PCYGFIDKSA-N", "SMILES:COc1ccc(/N=C2\\S/C(=C\\c3cccc(OCc4ccccc4)c3)C(=O)N2Cc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYIDHSPENPHBBT-VDHJPFPMSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S/C2=N\\c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRCMJXUFJLJKH-UHFFFAOYSA-O", "SMILES:NCc1ccc(NC(=O)c2c(O)ccc[n+]2Cc2nccn2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPQVQCOBKSXQMP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2nc(C)c(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBNNTJZVZLANHJ-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NC(=O)NN3CCC(Cc4ccccc4)CC3)cc2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAOLHPLKTFFZEY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZDJBLVUPVPPFN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1557710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXEFXSZSQWFQPU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEDKZGYRSQAHY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCDAWOMDQPVEHW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376408", "category": ["biolink:ChemicalEntity"], "name": "ABT 737", "xref": ["InChIKey:HPLNQCPCUACXLM-PGUFJCEWSA-N", "SMILES:CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]"], "synonym": ["Abt 737", "Abt-737"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2012815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDUFQFVUVYKCX-MQIQBBKZSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBNRBPFAJMRAQ-WGSAOQKQSA-N", "SMILES:CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNXBPJHABPVZJD-MXVIHJGJSA-N", "SMILES:CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGCVMXXHSKEBET-WGSAOQKQSA-N", "SMILES:COc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncccn34)C2(C)C)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZLHNQPBBYMKKJ-WGSAOQKQSA-N", "SMILES:Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncccn34)C2(C)C)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMQPHEQKXBNJDK-MEMLXQNLSA-N", "SMILES:Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C#N)c2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDTWNIGWSIKSAP-MXVIHJGJSA-N", "SMILES:Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)cc2Cl)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGUGBMXBBJNXJE-MEMLXQNLSA-N", "SMILES:Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3c(C)nc4cnccn34)C2(C)C)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULAOFLXSBQYVSF-WGSAOQKQSA-N", "SMILES:CC1(C)[C@H](NC(=O)c2cn3cccnc3n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMLIXQBCAAIHC-MXVIHJGJSA-N", "SMILES:Cc1cnc2ncc(C(=O)N[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(C)n4)C3(C)C)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2010827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAGCUOYFILFCS-WGSAOQKQSA-N", "SMILES:Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncc(Br)cn34)C2(C)C)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXAYQYXAWUFJU-WGSAOQKQSA-N", "SMILES:Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncc(F)cn34)C2(C)C)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509032", "category": ["biolink:ChemicalEntity"], "name": "TAE-684", "xref": ["InChIKey:QQWUGDVOUVUTOY-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWMCPJZTADUIFX-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRGLSIFESTADJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)CN(Cc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFXQKNLKCNIEMR-UHFFFAOYSA-N", "SMILES:COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)CN(CCc1ccc3c(c1)OCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2010866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBIRGYHHYAZIQ-INIZCTEOSA-N", "SMILES:C=C(COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXFIRKYLMIFBA-UHFFFAOYSA-N", "SMILES:COCCn1cccc1C(OC)(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXKJGOLBVSGDR-UHFFFAOYSA-N", "SMILES:CCOCCn1cccc1C(O)(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSXAZYXFYXSEQK-UHFFFAOYSA-N", "SMILES:CN(c1ccc(C(O)(c2cccn2Cc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNUCWQDMZHYFEC-UHFFFAOYSA-N", "SMILES:COCCn1cccc1C(O)(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHOAMSIDCQWEW-JOCHJYFZSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOAIONKVOGCMIC-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(Nc2c(C(=O)NOCCO)c3c(n2C)C(=O)CCC3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSZNNXCPOIBREY-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2ccc(I)cc2F)c(C(=O)NOCCO)c2n(c1=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOURSKBAKQLDQW-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWKOPKPCJMFGI-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2cc(=O)c3c(OCc4ccccc4)cccc3o2)cc1OC"]}
{"name": "Monoglyceride lipase", "xref": ["CHEMBL.TARGET:CHEMBL3321"], "id": "UniProtKB:Q8R431", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBCBALKAKGXMN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCc1ccc(-c2ccccc2)cc1)OCC1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBCKIXYPSMVJM-GQANMHBRSA-N", "SMILES:CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)c3[C@H](C1)C2.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011646", "category": ["biolink:ChemicalEntity"], "name": "PINOPHILIN A", "xref": ["InChIKey:JCQWLKQBYHSHOG-DAYKGMGPSA-N", "SMILES:C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2013228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUPDLXCNMYTGQL-WOJGMQOQSA-N", "SMILES:COc1cc(C(=O)N(CCC2CCCN2C)C/C(C)=C/c2cc(F)cc(C(F)(F)F)c2)cc(OC)c1OC"]}
{"name": "Atypical chemokine receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL2010631"], "id": "UniProtKB:P25106", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGJBHDRKOSGGDU-OBGWFSINSA-N", "SMILES:O=C(CCN1CCCC1)Nc1ccc(/C=C2\\CCn3c2nc2cc(Cl)ccc2c3=O)cc1"]}
{"name": "Protein E6", "xref": ["CHEMBL.TARGET:CHEMBL2010633"], "id": "UniProtKB:P03126", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:333760"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGYYCEBQDAIRAX-XRPYPUQCSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCCO[C@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SADWHFWCEGGEDS-HOJPETPOSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXLBXZDICJPLP-VYSOZWTASA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)O)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MELKZHAKCJIPSL-HFPFXHBBSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](C)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL342108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVQJQPPSIBDBJG-VQHVLOKHSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFFVLQFJTYEPI-ZHACJKMWSA-N", "SMILES:COc1ccccc1C(=O)/C=C/c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGPEVNIOCXOPN-QXGSTGNESA-N", "SMILES:COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHXSCCNIHWKJPW-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)(F)CC4)ccn3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQOIHXVHHNMZJZ-FHSNZYRGSA-N", "SMILES:CCCCn1c(=O)c2c(ncn2[C@@H]2O[C@H](C(=O)NC)C[C@H]2O)n(CCCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQDJSMDUNMWELB-KRCBVYEFSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)(O)O)NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGLLCKBGPPDNK-UFUBUQPPSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)(O)O)NC(=O)C/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKUMEJYZEFVPFS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1(c2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL535714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHOFVRCYBVWJLH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1412853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRFABRWQVPCPRG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZGJSWWPNARXQC-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCCNc2nc3cc(C)cc(C)c3cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTPRKXFOFPRHJE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCCNc2nc3cc(C)cc(C)c3cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGTVFYRRREUBJ-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2c1nc(CCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVJONZRWJFEMKI-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)Nc1cccc(CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLCKBYUEJAQVLY-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)Nc1cccc(COc2ccc(C(=O)OC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIIOQNVRMZPEIF-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)Nc1cccc(CNCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMFNTPVSIPZVIG-DJYVFMJFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCGFUNQWHAMEE-YKORCUBHSA-N", "SMILES:C#CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKCNMCSQOOEJHB-BDHQKZEVSA-N", "SMILES:C#CCCCCNC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZRTXTPBAYMJCA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Cc2ccc(-c3cc(C(=O)O)on3)cc2)c2nc(-c3ccc(Cl)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWAEMNLDJQLSS-KFQUMJQUSA-N", "SMILES:CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C/[125I])c2)CC1"]}
{"name": "Oxytocin receptor", "xref": ["CHEMBL.TARGET:CHEMBL2016427"], "id": "UniProtKB:Q9R1L2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:79684"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWAEMNLDJQLSS-FMEYYTDTSA-N", "SMILES:CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\\[125I])c2)CC1"]}
{"name": "Vasopressin V1a receptor", "xref": ["CHEMBL.TARGET:CHEMBL2016428"], "id": "UniProtKB:Q9WTV9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:79684"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGAMXUGSHMQFKD-BPAMBQHCSA-N", "SMILES:NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWCQACBFXLNZCO-XNIJJKJLSA-N", "SMILES:CCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIGVNVLJGDZSF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMQWMAEFFQIRZ-UHFFFAOYSA-N", "SMILES:N#Cc1c(N2CCOCC2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUENOTXSRZEFJV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2c(-c3ncn[nH]3)sc(N3CCOCC3)c2C#N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWUAOXRWVSNDB-DBRKOABJSA-N", "SMILES:CO[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O"]}
{"name": "Fructose-bisphosphate aldolase, glycosomal", "xref": ["CHEMBL.TARGET:CHEMBL4916"], "id": "UniProtKB:P07752", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWVTMLZUHQBPJ-APIJFGDWSA-N", "SMILES:O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(CCCc1ccccc1)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACFGVWHDZXULL-CHWFTXMASA-N", "SMILES:CCCCC[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKKGWTUWPWHKT-OOJXKGFFSA-N", "SMILES:CC[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZMYEEYVCDTZDF-KBUPBQIOSA-N", "SMILES:O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)OCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVJACORASAJWCM-GWOFURMSSA-N", "SMILES:CCCCCO[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJSYRIHPYQIJY-WCTZXXKLSA-N", "SMILES:CCO[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1464715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYPWEVZWIEMRP-UHFFFAOYSA-N", "SMILES:CSC1=C(C#N)C(=O)NC(c2ccccc2O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCCKKAWYOSFLCT-UHFFFAOYSA-N", "SMILES:N#CC1=C(SCc2ccccc2)SC(c2ccc(C(=O)O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKULRZLVHWXLW-CMDGGOBGSA-N", "SMILES:COC(=O)c1cc(OC)c2c(c1-c1c(/C=C/C(=O)c3cc(C)ccc3C)cc(OC)c3c1OCO3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXRZWPCXBFRKGK-MDZDMXLPSA-N", "SMILES:COC(=O)c1cc(OC)c2c(c1-c1c(/C=C/C(=O)c3ccccc3OC)cc(OC)c3c1OCO3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMXYYASMBOAPIF-SOFGYWHQSA-N", "SMILES:COC(=O)c1cc(OC)c2c(c1-c1c(/C=C/C(=O)c3cc(OC)ccc3OC)cc(OC)c3c1OCO3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZLPXLBJNGQFJ-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(Br)cc2)c1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCITTRRNGQZCQ-UHFFFAOYSA-N", "SMILES:CN(c1ccc(Br)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYBKCHPEBZNGW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UICRJQUEFROJBA-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBYBTYHEKHQDE-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017114", "category": ["biolink:ChemicalEntity"], "name": "BROUSSONONE A", "xref": ["InChIKey:NJYVKQKWDWFJQQ-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)C=CC1(O)CCCc1ccc(O)cc1"], "chembl_natural_product": true}
{"name": "Pancreatic triacylglycerol lipase", "xref": ["CHEMBL.TARGET:CHEMBL1687677"], "id": "UniProtKB:P00591", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGWDGIALCCNBQU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)n[nH]1"]}
{"name": "Serine/threonine-protein kinase PknF", "xref": ["CHEMBL.TARGET:CHEMBL2016432"], "id": "UniProtKB:P9WI75", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUTXVYDXDZGDRK-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(-c3ccncc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REUDMXPMMLBGBT-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc(Nc3cc[nH]n3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPRAZTHDRGGAFK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3ccc(F)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNZSDXRINAKFIJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEBQWHPMCNQVSA-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMZPYOBSEOUYRV-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(NC3CCCCC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTXPSVKBMQSINX-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(NCC3CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNXZOWROIBLYSK-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XESDAULTUOUYHW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTPLMUJRNLUPI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAODASWQXIXXRK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJKWVSSOAMVSC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHHGZDHFDOSYOK-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGGLCLRJOAFYQO-UHFFFAOYSA-N", "SMILES:c1cncc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QISLXMFBZJOAMQ-UHFFFAOYSA-N", "SMILES:c1cc(Nc2cc(C3CC3)[nH]n2)nc(NC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJXMRNIXSATUOH-UHFFFAOYSA-N", "SMILES:CC(C)CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIMKFLPRSBFHMX-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQNZQAJQCETFT-UHFFFAOYSA-N", "SMILES:Fc1cccc(CCNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQIBRYPDWTFJX-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVKVDCVYMCZOW-UHFFFAOYSA-N", "SMILES:c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBEKNGRAOMTVOH-UHFFFAOYSA-N", "SMILES:c1cc(Nc2cc(C3CC3)[nH]n2)nc(NC2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNGLDDJVMYWNV-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPQONKTXXSIFKR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNWQYLAHXYKOI-UHFFFAOYSA-N", "SMILES:CN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSJXAIWPWZTJND-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQICVAXZZYDYLU-QGZVFWFLSA-N", "SMILES:CN(C)[C@@H]1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCGINCPWVLXZTE-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN3CCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DADDNXVLEUVZRM-GOSISDBHSA-N", "SMILES:CN(C)[C@@H]1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3cccc(C#N)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMODXSKMIFEZMW-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2cccc(C#N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPXXFUOLEXGIOJ-UHFFFAOYSA-N", "SMILES:CN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3cccc(C#N)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVJWTXNMZSJHD-UHFFFAOYSA-N", "SMILES:CN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3cccc(S(C)(=O)=O)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVONZPKUQHHDTQ-GOSISDBHSA-N", "SMILES:CN(C)[C@@H]1CCN(c2cc(Nc3ccccn3)nc(-c3cccc(C#N)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYJSXUQQLLXBR-QGZVFWFLSA-N", "SMILES:COc1ccnc(Nc2cc(N3CC[C@@H](N(C)C)C3)nc(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMKIVSYIQBSIJ-QGZVFWFLSA-N", "SMILES:CN(C)[C@@H]1CCN(c2cc(Nc3cc(Cl)ccn3)nc(-c3ccccc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYNTFQZEBYZNK-GOSISDBHSA-N", "SMILES:CN(C)[C@@H]1CCN(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(-c3cccc(C#N)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYRWGVLSDRMVLI-VXKWHMMOSA-N", "SMILES:CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1"]}
{"name": "C-C chemokine receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL5412"], "id": "UniProtKB:P51683", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYPFIVSWQHOLV-VXKWHMMOSA-N", "SMILES:CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNHMKZCXTMRBSW-DQEYMECFSA-N", "SMILES:CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMOYUNWNZFLZJG-ZEQRLZLVSA-N", "SMILES:CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHHAYOLXAQKOJF-UHFFFAOYSA-N", "SMILES:COC(=S)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDZQRHVQAWKNM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNC(=S)Oc1ccc(OCCn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXAATAFNIAPIL-GGWOSOGESA-N", "SMILES:CCCNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQAORGLDQFYED-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295316", "category": ["biolink:ChemicalEntity"], "name": "PLUMBAGIN", "xref": ["InChIKey:VCMMXZQDRFWYSE-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)c2c(O)cccc2C1=O"], "synonym": ["Plumbagin", "Pcur-101", "Plumbagin", "NSC-236613", "NSC-688284", "PCUR-101"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2018697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTKICOJJFVFPEC-CPNJWEJPSA-N", "SMILES:CC1=C/C(=N\\NC(=O)c2ccncc2)c2c(O)cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWIGZXBGUJHZPY-CPNJWEJPSA-N", "SMILES:CC1=C/C(=N\\NC(=O)c2cccnc2)c2c(O)cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFYCQYNIJUZQZ-CPNJWEJPSA-N", "SMILES:CC1=C/C(=N\\NC(=O)c2ccccc2O)c2c(O)cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHDQFPFMKZZHI-XMHGGMMESA-N", "SMILES:CC1=C/C(=N\\NC(=O)c2ccccc2)c2c(O)cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHUOPRQFFSMJCG-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPXWAHOOCLVOY-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc3ccn4ccnc4c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKLDOGIRFAJXRB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3ccn4ccnc4c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQHKSIRFIGIIA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3ccn4ccnc4c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSXDPQZYYANAQS-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccc3ccn4ccnc4c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156378", "category": ["biolink:ChemicalEntity"], "name": "BROMOETHANE", "xref": ["InChIKey:RDHPKYGYEGBMSE-UHFFFAOYSA-N", "SMILES:CCBr"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2024275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFPPILTFMALBM-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1cnccc1C3=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYTQGKFUBMUMDH-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cnccc1C3=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPSQQHHLYFYPH-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ccncc1C3=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADCRXQVPIRBPK-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1ccncc1C3=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEWECRFKAIWSD-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1cccnc1C3=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVKLXEUTRIFRQK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(n1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2cc(OC)c(OC)cc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFIPYBPKXGXXKC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(n1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(OC)c(OC)cc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXJVVKTBQBGDC-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2cc(OC)c(OC)cc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJFMAPMZCHQHS-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(OC)c(OC)cc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVLXXCDQNWDEKK-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWUSKYSNPYMBB-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIWDYYWJGLSON-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUXVOIJPUNCGOZ-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022560", "category": ["biolink:ChemicalEntity"], "name": "APRATOXIN F", "xref": ["InChIKey:BAYCKSGCVUIVNR-FQASXUTMSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](/C=C(\\C)C(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2023045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFPOEFGJMGESDL-DEOSSOPVSA-N", "SMILES:O=C(N[C@H](C(=O)O)c1ccccc1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFPOEFGJMGESDL-XMMPIXPASA-N", "SMILES:O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQHJXOFVJLPKL-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cnc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022567", "category": ["biolink:ChemicalEntity"], "name": "AMAUROMINE", "xref": ["InChIKey:VKEAHNPKYMHYJJ-CBYNOBLXSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3C(=O)N4[C@@H](C[C@@]5(C(C)(C)C=C)c6ccccc6N[C@@H]45)C(=O)N3[C@@H]1Nc1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2024331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSHPFXXSLQSKN-NEYBNPPJSA-N", "SMILES:CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHFJWWZZUQRDMV-NEYBNPPJSA-N", "SMILES:CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPSHGSHERZLKSV-BJWYYQGGSA-N", "SMILES:CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPSHGSHERZLKSV-OSYLJGHBSA-N", "SMILES:CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](NCCNC(=O)c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3084447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCSPMLKJFWOCM-FVQHAEBGSA-N", "SMILES:CCOC(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2NCCNC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLIDMWNTWSBTSM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2ccc([N+](=O)[O-])c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTSVTJCUIMEMDB-CFYXSCKTSA-M", "SMILES:CCCCCC/C=C\\CCCCCCCC(=O)OCC1COP(=O)([O-])C1.[Na+]"]}
{"name": "Autotaxin", "xref": ["CHEMBL.TARGET:CHEMBL2021747"], "id": "UniProtKB:A1A4K5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDJNGXMDERAZON-CNNWCNGRSA-N", "SMILES:CCCCCC/C=C\\CCCCCCCC(=O)OC[C@H]1CSP(=O)(O)O1.CCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLWKCJKXWHUIN-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N4CCCC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXXTRBEIQTIRE-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC4CC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEBSKSLIQGSHRV-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N4CCCC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAFKQPHWLBYNEY-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3ncc(Cl)c(-c4ccc(F)cc4S(=O)(=O)N(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDWEZHVKJPGPL-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3ncc(Cl)c(-c4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022968", "category": ["biolink:ChemicalEntity"], "name": "DUBERMATINIB", "xref": ["InChIKey:YUAALFPUEOYPNX-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2)CC1"], "synonym": ["Dubermatinib", "Dubermatinib", "Tp 0903", "Tp-0903", "HCl-2084", "TP-0903", "TP0903", "Dubermatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRIZHIWNZHWNQG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXBORWQOCZOIL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2ccc(-c3ccc(CN(C(=O)CN(C)S(=O)(=O)c4ccc(C)cc4)c4ccc(C(=O)O)c(O)c4)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCKLOCAKFGXTQF-UHFFFAOYSA-N", "SMILES:CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZIAIBCFVUIGPT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)C(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFDCRHFGITFQH-APKPJTILSA-M", "SMILES:C=CCCCC[N@+]1(C)C2CCC1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTMSAUDGKHSMIA-HNOQFYFQSA-N", "SMILES:CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022536", "category": ["biolink:ChemicalEntity"], "name": "IANTHELLAMIDE A", "xref": ["InChIKey:LUKTVGRPGJKVIG-LBPRGKRZSA-N", "SMILES:CC(=O)NCCCO[C@@H](CN)c1cc(Br)c(OS(=O)(=O)O)c(Br)c1"], "chembl_natural_product": true}
{"name": "Kynurenine 3-monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL3457"], "id": "UniProtKB:O88867", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Kynureninase", "xref": ["CHEMBL.TARGET:CHEMBL2969"], "id": "UniProtKB:P70712", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVSFGCGBLZWAQR-JBURFMISSA-N", "SMILES:Cc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CCC(C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CCC(C)(C(=O)O1)C2(C)C)C(C)(C)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGIRMHNKQDWCBQ-DHOGJDSLSA-N", "SMILES:CCc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CCC(C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CCC(C)(C(=O)O1)C2(C)C)C(C)(C)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFUVVLUGPZBSV-UEHONLGXSA-N", "SMILES:COc1cc2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CCC(C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEFZKSCXGJGQEM-HABJHIKCSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCCCN1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVDWWROPKLAPGD-VWDNUEOGSA-N", "SMILES:[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)C(C/C=C(\\C)CCCC(C)CC/C=C(\\C)CCC=C(C)C)=C(C([2H])([2H])[2H])C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXVJDFZHGQKSV-SNMDEZJQSA-N", "SMILES:[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C/C)=C(C([2H])([2H])[2H])C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYMTNLAPMZNMP-ZCWOAVCZSA-N", "SMILES:[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C/CCC=C(C)C)=C(C([2H])([2H])[2H])C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTXQHUZSFNICKZ-XXSJSHRVSA-N", "SMILES:[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)C(C/C=C(\\C)CC/C=C/CC/C=C(\\C)CCC=C(C)C)=C(C([2H])([2H])[2H])C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIBYLIAOXZFMS-XNBWSUROSA-N", "SMILES:[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)C(C/C=C/CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C([2H])([2H])[2H])C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKHGMERMDICWDU-CKBRGKTGSA-N", "SMILES:[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C([2H])([2H])[2H])C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQNYHSBHIIJMQ-KNZLMEBDSA-N", "SMILES:[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)C(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)=C(C([2H])([2H])[2H])C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBWXNTAXLNYFJB-VKXGTQFMSA-N", "SMILES:[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)C(C/C=C(\\C)CCCC(C)CCCC(C)CCCC(C)C)=C(C([2H])([2H])[2H])C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVKGCOFYKKJMIS-VKXGTQFMSA-N", "SMILES:[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)C(C/C=C(\\C)CCCC(C)CCCC(C)CCC=C(C)C)=C(C([2H])([2H])[2H])C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNHRMUKOAZFLE-ANVLNOONSA-N", "SMILES:Br.c1ccc(-c2n/c(=N\\CCN3CCOCC3)sn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLVQVWAXLWYNNK-CMBBICFISA-N", "SMILES:Br.OCC/N=c1\\nc(-c2ccccc2)n(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMQUPWZLZNRYFF-QPNALZDCSA-N", "SMILES:Br.c1ccc(-c2n/c(=N\\Cc3cccnc3)sn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2021939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRENUQYVGGEEKV-XOMCAEDMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDNSJMGYHOEPI-NCPLOYRMSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NCc2ccc(-c3cn(CCCCCCC(=O)NO)nn3)cc2)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVOKYJBVRMOEJD-SHNXHHRMSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NCc2ccc(-c3cn(CCCCCC(=O)NO)nn3)cc2)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBZKXYPZHKMZMG-WNRPIQNBSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NCc2ccc(-c3cn(CCCCC(=O)NO)nn3)cc2)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLZXOUIRJSQRG-OFWOZGGXSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NCc2ccc(-c3cn(CCCCCCCC(=O)NO)nn3)cc2)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLAPUDCSHXKJZ-BLQQQYGCSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NCc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQCJAULYUZFRK-UHFFFAOYSA-N", "SMILES:c1ccc2sc(-c3ccc(OCCCNc4c5c(nc6ccccc46)CCCC5)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPDHGFQDRZBVLE-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnc(NCC4CC4)nc3n(C)c2=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXOQJONSZSXSW-UHNVWZDZSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2CN(C(=O)P(=O)(O)O)C[C@@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVDDHUUZLVBGW-SVBPBHIXSA-N", "SMILES:CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1"]}
{"name": "Lipase", "xref": ["CHEMBL.TARGET:CHEMBL2021756"], "id": "UniProtKB:O59952", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5541"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJWEHPIYZOTDZ-SVBPBHIXSA-N", "SMILES:CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQIYLWMERSDMCX-VMPREFPWSA-N", "SMILES:CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPMPPBKEBDBDK-SVBPBHIXSA-N", "SMILES:CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWZPSPIJGIVDN-VMPREFPWSA-N", "SMILES:CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBICLIKDNQRKIK-CONSDPRKSA-N", "SMILES:CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZAKBHHITYLQTQ-VMPREFPWSA-N", "SMILES:CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGVRBISTMNIPE-SVBPBHIXSA-N", "SMILES:CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCUTXZHEBWJWPU-VMPREFPWSA-N", "SMILES:CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHTSHAPSXDVMKC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)(C)Oc1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AONQVKRIOAZBTM-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(O)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWKCOJJVOZRKV-DWMPUHLRSA-N", "SMILES:CCCCCCCCCCCCCCNC(=O)CCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZWJAYDEUOWPGW-NTCAYCPXSA-N", "SMILES:COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)nc4ccccc4n3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCUUXSHUOIOSFF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc4ccc(C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)nc4ccccc4n3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPELZRHAASKTIW-AAVPFINGSA-N", "SMILES:[2H]C([2H])(C(=O)c1ccccc1Cl)C(N[C@@H](C)c1ccccc1)C(=O)O"]}
{"name": "1,4-dihydroxy-2-naphthoyl-CoA synthase", "xref": ["CHEMBL.TARGET:CHEMBL1275214"], "id": "UniProtKB:P9WNP5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJFJILBNZTBRI-JZLYGMAVSA-N", "SMILES:CC(C(=O)c1ccc(Cl)cc1)C(N[C@@H](C)c1ccccc1)C(=O)O"]}
{"name": "Dual specificity mitogen-activated protein kinase kinase 6", "xref": ["CHEMBL.TARGET:CHEMBL2171"], "id": "UniProtKB:P52564", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1997854", "category": ["biolink:ChemicalEntity"], "name": "VERMISTATIN", "xref": ["InChIKey:YORFGPDHNOBVBM-BDUNBXCCSA-N", "SMILES:C/C=C/c1cc(=O)c([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)co1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL107518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAQFHLUEMJOMF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEIDFYXKGOBTGS-BRSBDYLESA-N", "SMILES:CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O"]}
{"name": "Acylamino-acid-releasing enzyme", "xref": ["CHEMBL.TARGET:CHEMBL2021757"], "id": "UniProtKB:P19205", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023193", "category": ["biolink:ChemicalEntity"], "name": "[18F]FLUORORASAGILINE", "xref": ["InChIKey:NYDFHNRLRLOAGB-HWBCFACGSA-N", "SMILES:C#CCN[C@H]1c2ccccc2C[C@@H]1[18F]"], "synonym": ["[18F]-Fluororasagiline"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOKYTYWXOYPOX-RVDMUPIBSA-N", "SMILES:N#C/C(=C\\c1ccccc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2030522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPDZLWKPVAXEEK-GXDHUFHOSA-N", "SMILES:N#C/C(=C\\c1ccccc1Br)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQADOVBGJXESGV-RVDMUPIBSA-N", "SMILES:COc1ccc(/C=C(\\C#N)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHZUHCZQGFNGNH-GXDHUFHOSA-N", "SMILES:N#C/C(=C\\c1ccc(Cl)cc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2030525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMJSLIYHNRHXRU-GXDHUFHOSA-N", "SMILES:N#C/C(=C\\c1ccc(C(F)(F)F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUHFNNNNMHRVMV-NTEUORMPSA-N", "SMILES:N#C/C(=C\\c1cccc(Br)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEFBVSBTLUXKPO-GXDHUFHOSA-N", "SMILES:N#C/C(=C\\c1ccc(Br)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDMSFLZOGSIKX-GXDHUFHOSA-N", "SMILES:N#C/C(=C\\c1ccc(N)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZAHJBIVMOTJKJ-LDADJPATSA-N", "SMILES:CN(C)Cc1ccc(/C=C(\\C#N)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLRDYBDIDJXOC-NBVRZTHBSA-N", "SMILES:N#C/C(=C\\c1ccc(N2CCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXNVLRLCCZYEGL-XDJHFCHBSA-N", "SMILES:N#C/C(=C\\c1ccc(N2CCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTUDGQHAIYHNI-CAPFRKAQSA-N", "SMILES:N#C/C(=C\\c1ccc(N2CCCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVMKYVSMMVCYQM-XDJHFCHBSA-N", "SMILES:N#C/C(=C\\c1ccc(NC2CCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVKEASDISYWSM-XDJHFCHBSA-N", "SMILES:N#C/C(=C\\c1ccc(Nc2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFOACXHSWZTLY-HMMYKYKNSA-N", "SMILES:CC1CCN(c2ccc(/C=C(\\C#N)c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1533353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSMYRSSSEFHZLX-NBVRZTHBSA-N", "SMILES:N#C/C(=C\\c1ccc(N2CCOCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEULABCMGCGES-NBVRZTHBSA-N", "SMILES:N#C/C(=C\\c1ccc(N2CCNCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORAHHUELCHSJN-XDJHFCHBSA-N", "SMILES:CN1CCN(c2ccc(/C=C(\\C#N)c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOQCELCRSCRAK-RVDMUPIBSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBOBWBOCWNTNSX-FOWTUZBSSA-N", "SMILES:COc1ccc(/C(C#N)=C/c2ccc(N(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFEJMKDVVUJCAF-RVDMUPIBSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSGNKFGNNTQNO-RVDMUPIBSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQIRPOOHNVHLU-XNTDXEJSSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQICXJZZWXQDG-SDNWHVSQSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBGTWRMWGKJKF-SDNWHVSQSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2ccccc2I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDDBKANKHHKED-SDNWHVSQSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2ccccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAWVYLRRXYXSX-NTCAYCPXSA-N", "SMILES:COc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZYHUUJCSBIKA-SDNWHVSQSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2ccccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEUQMXUGYVPJNJ-SDNWHVSQSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUMVHWNJQCHIE-SDNWHVSQSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2ccccc2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVQMQNUWICQRL-LFIBNONCSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2ccccc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJMDTBBCNMGFMS-SAPNQHFASA-N", "SMILES:CN1CCN(c2ccc(/C=C(\\C#N)c3ccccc3Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFKBGWLUHKMFY-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKDAEWKBUQVMQD-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAHYFNIQRUEYFR-UHFFFAOYSA-N", "SMILES:Oc1c(-c2ccccc2)nnc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSXSOEGTPRCMSB-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)nnc2n(CCc3ccccc3)c3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAOPWECJKRPNMG-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccco2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPIBZONCMPLCMY-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWLXMIOPONXPFQ-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEWNQGXQPWIWBZ-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSYEFOBFMUWGO-OAHLLOKOSA-N", "SMILES:C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2031737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZMWOXSIRVXQW-OAHLLOKOSA-N", "SMILES:C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJAZBLORBOLJEM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2031421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXJRCDKGGEGCV-BQYQJAHWSA-N", "SMILES:CN(C)c1ccc(/C=C/n2ncc(Cl)c(Cl)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JARUUYXHPLGHLF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(N2C(=O)N(Cc3ccccc3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSMLEYYCYZLPGW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(N2C(=O)N(c3ccccc3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"name": "Mitogen-activated protein kinase kinase kinase 15", "xref": ["CHEMBL.TARGET:CHEMBL1163127"], "id": "UniProtKB:Q6ZN16", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Activated CDC42 kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4599"], "id": "UniProtKB:Q07912", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2032376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLFOBCVMVMHJI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449158", "category": ["biolink:ChemicalEntity"], "name": "BRYOSTATIN 1", "xref": ["InChIKey:MJQUEDHRCUIRLF-TVIXENOKSA-N", "SMILES:CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3"], "synonym": ["Bryostatin 1", "Bryostatin-1", "NSC-339555"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2032109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHWMABYPOKZOV-RLAFMZMVSA-N", "SMILES:C=C1C[C@H]2C[C@@H]3O[C@@H](CC(=C)C3(C)C)C[C@@H](O)CC(=O)O[C@@H]([C@@H](C)O)C[C@@H]3C/C(=C\\C(=O)OC)[C@H](OC(=O)/C=C/C=C/CCC)[C@@](O)(O3)C(C)(C)/C=C/[C@@H](C1)O2"]}
{"name": "Ras guanyl-releasing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL3638"], "id": "UniProtKB:Q8IV61", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWFLTZRHVOLDH-GXDHUFHOSA-N", "SMILES:NC/C=C(/F)COc1ccc(C(=O)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDPBUJYOAAWDJH-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)cn1)c1cc(OCC(C)C)c(C(C)C)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL115097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUUTJCZMGZJDZ-UHFFFAOYSA-N", "SMILES:CCCCCCOc1cc2c(cc1N(C)c1ncc(C(=O)O)cn1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHOIRBZEXXWXHI-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)cn1)c1cc(OCC(C)C)c(C(C)C)cc1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBCFPFVWAAOMP-OUKQBFOZSA-N", "SMILES:CCN(c1ccc(C(=O)O)cn1)c1cc(OCC(C)C)c(C(C)C)cc1/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMRZQBDQVMUOW-CLBRJLNISA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029605", "category": ["biolink:ChemicalEntity"], "name": "LIVOLETIDE", "xref": ["InChIKey:JXPWLIYXIWGWSA-CLBRJLNISA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC1=O"], "synonym": ["Livoletide", "Livoletida", "Azp-531", "Livoletide", "AZP 531", "AZP-531", "AZP531"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2068673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTXBFQYYVWOQZ-WAYAHEMTSA-N", "SMILES:Cc1ccccc1C1=C2C=CC(=N)C=C2[Si](C)(C)c2cc(NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc3ccccc3)C(C)C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSHOSZQLVLPEGG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c1"]}
{"name": "Rap guanine nucleotide exchange factor 3", "xref": ["CHEMBL.TARGET:CHEMBL2029197"], "id": "UniProtKB:O95398", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rap guanine nucleotide exchange factor 4", "xref": ["CHEMBL.TARGET:CHEMBL2029198"], "id": "UniProtKB:Q8WZA2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWYKBYCVJIIQJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(CSc2nc(C3CC3)c(C#N)c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLLWRTHDHRGHQZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(CSc2nc(C3CCCC3)c(C#N)c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBUIIUVPFUGTNS-UHFFFAOYSA-N", "SMILES:CC(=O)SCCC(=O)NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036277", "category": ["biolink:ChemicalEntity"], "name": "SEIMATOPOLIDE A", "xref": ["InChIKey:VKFBQLMPTJTKBZ-ISHVXOLWSA-N", "SMILES:CCCCCCCCC[C@H]1C[C@@H](O)[C@H](O)/C=C/[C@H](O)CC(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2036283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLNEWAKNNXMEQ-SNVBAGLBSA-N", "SMILES:CCCN(C)c1nc([C@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLLCUFSLYCPCOQ-LLVKDONJSA-N", "SMILES:Cc1c(N)nc(Nc2ccc(C#N)cc2)nc1[C@H](C)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399121", "category": ["biolink:ChemicalEntity"], "name": "HESPERETIN", "xref": ["InChIKey:AIONOLUJZLIMTK-AWEZNQCLSA-N", "SMILES:COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O"], "synonym": ["(-)-hesperetin", "Eriodictyol 4'-monomethyl ether", "Hesperetin", "Hesperitin", "FEMA NO. 4313", "NSC-57654"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2036420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFWYPGZHMAEOF-SUSWHKJKSA-N", "SMILES:CN(C)c1ccc(/N=N/c2nc3ccc(OCCOCCOCC[18F])cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCHYXMKVDHWGU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(C3=NOC(c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUIIIYITNGOFEI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2037482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHKIYMMTEMNCFE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482596", "category": ["biolink:ChemicalEntity"], "name": "BRYONOLIC ACID", "xref": ["InChIKey:BHVJSLPLFOAMEV-FPLINDMSSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2030386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRRLLRQAGKSVMU-SECBINFHSA-N", "SMILES:O=c1[nH]c(CN2CC[C@@H](O)C2)nc2c1oc1ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109904", "category": ["biolink:ChemicalEntity"], "name": "DODECYLAMINE", "xref": ["InChIKey:JRBPAEWTRLWTQC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCN"]}
{"name": "N-acylethanolamine-hydrolyzing acid amidase", "xref": ["CHEMBL.TARGET:CHEMBL2034805"], "id": "UniProtKB:Q5KTC7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1534653", "category": ["biolink:ChemicalEntity"], "name": "HEXADECYLAMINE", "xref": ["InChIKey:FJLUATLTXUNBOT-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCN"], "synonym": ["Hexadecylamine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036099", "category": ["biolink:ChemicalEntity"], "name": "PENTADECYLAMINE", "xref": ["InChIKey:JPZYXGPCHFZBHO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCN"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL110011", "category": ["biolink:ChemicalEntity"], "name": "TETRADECYLAMINE", "xref": ["InChIKey:PLZVEHJLHYMBBY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCN"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1895807", "category": ["biolink:ChemicalEntity"], "name": "HEXADECYLTRIMETHYLAMMONIUM CHLORIDE", "xref": ["InChIKey:WOWHHFRSBJGXCM-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511708", "category": ["biolink:ChemicalEntity"], "name": "BACCHARIN", "xref": ["InChIKey:BJIVLGIZOMJQRT-GXDHUFHOSA-N", "SMILES:CC(C)=CCc1cc(/C=C/C(=O)O)ccc1OC(=O)CCc1ccccc1"], "chembl_natural_product": true}
{"name": "Aldo-keto reductase family 1 member C3", "xref": ["CHEMBL.TARGET:CHEMBL4681"], "id": "UniProtKB:P42330", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURLDVXRDRWIIV-KKUMJFAQSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N1CCC[C@H](NCC(=O)N2CCC[C@H]2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNDZYDKTCJHHQO-ZJUUUORDSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZFQHVTHPXIAU-ILXRZTDVSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](N2CCC[C@H]2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZXJHMCLQYFOC-RYUDHWBXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)NCC(=O)O"]}
{"name": "Streptopain", "xref": ["CHEMBL.TARGET:CHEMBL2034806"], "id": "UniProtKB:P0C0J0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBLGJGEWBJBLM-SQNIBIBYSA-N", "SMILES:CCN(CC(N)=O)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBLGJGEWBJBLM-BZSNNMDCSA-N", "SMILES:CCN(CC(N)=O)[C@H]1CCCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZFQHVTHPXIAU-KKUMJFAQSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC[C@H](N2CCC[C@H]2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDNRBUIJUGOASW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.O=C(NCCCCNc1ccnc2cc(Cl)ccc12)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCCCNc4ccnc5cc(Cl)ccc45)cc(C4=NCCN4)c3)cc2)cc(C2=NCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXMDUIRUEBLOTE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCCNc4ccnc5cc(Cl)ccc45)cc(C4=NCCN4)c3)cc2)cc(C2=NCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLRNOMRAQHHPN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.O=C(NCCNc1ccnc2cc(Cl)ccc12)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCNc4ccnc5cc(Cl)ccc45)cc(C4=NCCN4)c3)cc2)cc(C2=NCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXQNURJPSSXSC-RCCKNPSSSA-N", "SMILES:COC(=O)CCSC/C=C(\\C)CCn1cc(CCc2ccc(-c3ccccc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1567670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKDQXSPTHHANP-OUKQBFOZSA-N", "SMILES:O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccccc1"]}
{"name": "DNA repair protein RAD51 homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL2034808"], "id": "UniProtKB:Q08297", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Poly [ADP-ribose] polymerase 1", "xref": ["CHEMBL.TARGET:CHEMBL3740"], "id": "UniProtKB:P11103", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCQPCFYXQGEGY-BNBNXSKYSA-N", "SMILES:COc1ccc(-c2cc([C@@H](O)[C@H]3CCCCN3)c3ccccc3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2034993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCQPCFYXQGEGY-DTRWSJPISA-N", "SMILES:COc1ccc(-c2cc([C@H](O)[C@@H]3CCCCN3)c3ccccc3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCQPCFYXQGEGY-LBPAWUGGSA-N", "SMILES:COc1ccc(-c2cc([C@H](O)[C@H]3CCCCN3)c3ccccc3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQEQEOBGZMEDBQ-LBRHRNEPSA-N", "SMILES:C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@](C)(O)CCCC(C)C"], "chembl_natural_product": true}
{"name": "25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5993"], "id": "UniProtKB:O15528", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2037314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCDDDVZWZABGW-AFMDSPMNSA-N", "SMILES:COc1ccccc1Oc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2037327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNQLPPRBCDOYMW-AFMDSPMNSA-N", "SMILES:CCc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2037328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLHLYZVOCWLEN-CCLHPLFOSA-N", "SMILES:CCCc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2037462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RROOTAXVHNZLAY-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)sc2c(-c3cccnc3)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28079", "category": ["biolink:ChemicalEntity"], "name": "ZAPRINAST", "xref": ["InChIKey:REZGGXNDEMKIQB-UHFFFAOYSA-N", "SMILES:CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1"], "synonym": ["Zaprinast", "M&B 22948", "M&B-22948", "NSC-757885"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVBBWNTRFFIHW-CQSZACIVSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc(-c2cn[nH]c(=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2037612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOXIQSGQNDNBQB-UQGJQNESSA-N", "SMILES:NCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%13O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%14O[C@H](CO[C@@H]%15O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%15O)[C@@H](O)[C@H](O[C@@H]%15O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%16O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%16O)[C@H]%15O)[C@H]%14O)[C@H]%13O)[C@H]%12O)[C@H]%11O)[C@H]%10O)[C@H]9O)[C@H]8O)[C@H]7O)[C@H]6O)[C@H]5O)[C@H]4O)[C@H]3O)[C@H]2O)[C@H]1O"]}
{"name": "C-type lectin domain family 7 member A", "xref": ["CHEMBL.TARGET:CHEMBL2034810"], "id": "UniProtKB:Q9BXN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRMYCCCDFOBOV-ZWAGCPRNSA-N", "SMILES:NCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%13O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%14O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%15O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%16O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%16O)[C@H]%15O)[C@H]%14O)[C@H]%13O)[C@H]%12O)[C@H]%11O)[C@H]%10O)[C@H]9O)[C@H]8O)[C@H]7O)[C@H]6O)[C@H]5O)[C@H]4O)[C@H]3O)[C@H]2O)[C@H]1O"]}
{"name": "C-type lectin domain family 7 member A", "xref": ["CHEMBL.TARGET:CHEMBL2034809"], "id": "UniProtKB:Q6QLQ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2002784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEDKXZRSVIBYDP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)Nc1nc2ccc(C)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKASJWLVYRRBEG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)Nc1nc2ccc(Cl)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDFXNMBUUULLGQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)Nc1nc2ccc(F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802135", "category": ["biolink:ChemicalEntity"], "name": "PROTUBOXEPIN A", "xref": ["InChIKey:UOBOWSHNMYJJFQ-QIWLAUOQSA-N", "SMILES:CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2035895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCJBZGHUKSZLLX-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCOC(=O)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280487", "category": ["biolink:ChemicalEntity"], "name": "OKADAIC ACID", "xref": ["InChIKey:QNDVLZJODHBUFM-WFXQOWMNSA-N", "SMILES:C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1956149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXYOTFKPGLXJBW-IBGZPJMESA-N", "SMILES:CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1682202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDZIRNPRVJEHHX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1682200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZASYCIZSWCKB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2ccc([N+](=O)[O-])cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1682201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJCBUXADPESMP-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMRJGBEMSCDNN-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Nc2cccc(C(=O)O)c2)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLKCGQPNWBZKF-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1cccc(O)c1"]}
{"name": "Estradiol 17-beta-dehydrogenase 2", "xref": ["CHEMBL.TARGET:CHEMBL1914270"], "id": "UniProtKB:P51658", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGAHPIOAYBBRAZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC(F)(F)F)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMSSGPAXATLCG-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXZFOKLMHPLGF-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBCOHPZTBGFKMG-UHFFFAOYSA-N", "SMILES:COc1cc(COC(=O)c2ccc(-c3ccccc3)o2)cc(OC)c1OC"]}
{"name": "High affinity 3',5'-cyclic-AMP phosphodiesterase 7A", "xref": ["CHEMBL.TARGET:CHEMBL2040702"], "id": "UniProtKB:P70453", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFIUFCJFLGCQPH-UHFFFAOYSA-N", "SMILES:Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2043052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYXBVYJGHCZDB-UYRXBGFRSA-N", "SMILES:COc1cc2c(cc1OCCN1CCCCC1)C(=O)/C(=C\\c1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRRQRYVRNSVBF-BCNFPARNSA-N", "SMILES:CC(=O)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2043062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYRAZHRKJLQCON-NBNHYRBJSA-N", "SMILES:C[C@@H](C(=O)O)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2043232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFPBOVJIGMUJU-REWPJTCUSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@@H]1OC(C)=O)Cc1cc2ccccc2nc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2043233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOCXVLPCEYHGKN-URXFXBBRSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@@H]1OC(C)=O)Cc1cc2cc(OC)ccc2nc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2043234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDIESVTFHLOTK-URXFXBBRSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@@H]1OC(C)=O)Cc1cc2cc4c(cc2nc1-3)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2043235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGVVJJUFNHMKDC-DHLKQENFSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@@H]1OC(C)=O)Cc1cc2cc4c(cc2nc1-3)OCCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2043236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAKOAPKUFFXNPT-RXVVDRJESA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@@H]1O)Cc1cc2ccccc2nc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2043237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFZSTJIFRGIEH-UGKGYDQZSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@@H]1O)Cc1cc2cc(OC)ccc2nc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2043238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJYPWBHSWIWXCY-UGKGYDQZSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@@H]1O)Cc1cc2cc4c(cc2nc1-3)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2043239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLIWYXLGLWONEI-REWPJTCUSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@@H]1O)Cc1cc2cc4c(cc2nc1-3)OCCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273862", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYCAMPTOTHECIN", "xref": ["InChIKey:HAWSQZCWOQZXHI-FQEVSTJZSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1"], "synonym": ["(s)-10-hydroxycamptothecin", "10-hcpt", "10-hydroxy camptothecin", "10-hydroxy-camptothecin", "10-hydroxycamptothecin", "10-hydroxycamptothecine", "Hydroxycamptothecin", "NSC-107124", "Irinotecan related compound a"], "chembl_natural_product": true}
{"name": "ATP-dependent DNA/RNA helicase DHX36", "xref": ["CHEMBL.TARGET:CHEMBL2040704"], "id": "UniProtKB:Q9H2U1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392695", "category": ["biolink:ChemicalEntity"], "name": "S-TRITYL-L-CYSTEINE", "xref": ["InChIKey:DLMYFMLKORXJPO-FQEVSTJZSA-N", "SMILES:N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2042135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLEOOSLUHRQCHZ-LMVHVUTASA-N", "SMILES:C[C@H](/C=C\\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83628", "category": ["biolink:ChemicalEntity"], "name": "CHROMOCARB", "xref": ["InChIKey:RVMGXWBCQGAWBR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(=O)c2ccccc2o1"], "synonym": ["Chromocarb", "Chromocarbe", "Cromocarbo", "NSC-758218"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL164457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWWYMNUAXKVCF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIMMZUJPKKMRG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGJTXOHLKYHQT-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEEXKGYECCQJHU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKYUNPGRRJCUNW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(O)c1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXBGUKFWLZDEGJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2[nH]cc(Cc3ccc(F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNKOBDQIXBXISQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2[nH]c(Cc3ccc(F)cc3)c(Cc3ccc(F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2042913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEOBPSYAJIWOE-LQRBVVCKSA-N", "SMILES:C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)CCCCCCc1cn(CCCCCCC(=O)O[C@H](c2ccnc3ccc(OC)cc23)[C@@H]2C[C@@H]3CCN2C[C@@H]3C=C)nn1)c1ccnc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDPHFZRESEGCF-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NC3CCCCC3)c2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2042249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMAJVVMFXGCMHD-UGRQAPGZSA-N", "SMILES:CNc1ccc(/C=C/c2ccc(OCCOCCOCCOCCOCC(COCCOCCOCCOCCOc3ccc(/C=C/c4ccc(NC)cc4)cn3)OCC[18F])nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774461", "category": ["biolink:ChemicalEntity"], "name": "FLORBETAPIR F 18", "xref": ["InChIKey:YNDIAUKFXKEXSV-CRYLGTRXSA-N", "SMILES:CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1"], "synonym": ["Florbetapir (18f)", "Florbetapir (18f)", "Florbetapir f 18", "Florbetapir f-18", "Florbetapir (18f)", "Florbetapir f 18", "18f-av45", "Av45 f-18", "Florbetapir (18f)", "Florbetapir f 18", "Florbetapir(18-f)", "Florbetapir, f-18", "(18F)AV-45", "18F-AV-45", "AV-45 F-18", "Amyvid", "Florbetapir f 18", "Florbetapir f-18"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2042392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOWXUNROOQLNE-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2042393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGUFLZASOGFRJR-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNZGBGQXJJTDX-ZEQRLZLVSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](COC(C)=O)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITFGTTSYKBYZIX-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(Nc1cc(-c2ccc(OC3CCCC3)cc2)ccn1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCHVNGRKPLDQR-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(C(=O)NNc1c(Cl)cncc1Cl)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2046883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXFSTAQMOENSC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCCN5CCOCC5)ccc34)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHYSUZKIPXYDBL-JPLJXNOCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2046867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGKRBMRQJKMPSE-VMSLVEPKSA-N", "SMILES:CCOc1cccc([C@]2(N3CCN(c4ccccc4)CC3)[C@@H]3C[C@@H](C)C[C@@H]32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSPDGDMAZIXKIV-CCFHIKDMSA-N", "SMILES:COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1411333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOVLSMXPWPCFH-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNPCICNURAFUQC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2-c2ccccc2S(=O)(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEYCQWMDZGANTF-QTDUYKOVSA-N", "SMILES:CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O.Cl"]}
{"name": "Beta-hexosaminidase", "xref": ["CHEMBL.TARGET:CHEMBL1667674"], "id": "UniProtKB:Q9HZK0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQDDJZAQSOYEME-ODPUZPCVSA-N", "SMILES:CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNGNUWKYOBKAF-FHRSHATGSA-N", "SMILES:CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGUDCWHWRPWMRI-MHWRWJLKSA-N", "SMILES:O=C(CCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)NO"]}
{"name": "Histone deacetylase-like amidohydrolase", "xref": ["CHEMBL.TARGET:CHEMBL6017"], "id": "UniProtKB:Q70I53", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:242601"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFVVEEGKXCCFDK-OQLLNIDSSA-N", "SMILES:O=C(CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL87706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHIHDVVUHVQCP-YVMONPNESA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(O)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRJJGJJVMGLRQ-UITAMQMPSA-N", "SMILES:COc1ccc(/C=C2\\SC(=O)NC2=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSBNTMYQLUCHOK-UHFFFAOYSA-N", "SMILES:OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVREWVCSCUBOY-UHFFFAOYSA-N", "SMILES:OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ncc45)c(Cl)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFRQPCBLXWLNAT-UHFFFAOYSA-N", "SMILES:OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSDQZJWVOBCWHP-UHFFFAOYSA-N", "SMILES:OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ccc45)c(Cl)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKHWNUDFOMKAK-UHFFFAOYSA-N", "SMILES:O=C1Cc2c(cccc2Oc2ccc(Nc3ncnc4ccn(CCO)c34)cc2Cl)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQXZYPOEYQQSH-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXHXSFDRRRWGRB-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63243", "category": ["biolink:ChemicalEntity"], "name": "4-CHOLESTEN 3-ONE", "xref": ["InChIKey:NYOXRYYXRWJDKP-GYKMGIIDSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"name": "Steroid C26-monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL5629"], "id": "UniProtKB:P9WPP1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMKJDABLEGUPIE-WUELKCQHSA-N", "SMILES:CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL69851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PESKGJQREUXSRR-JDIFZLMISA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2048335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROLSKNVQSMYGNB-GYKMGIIDSA-N", "SMILES:CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2048334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTHAWBPJNZDQE-SVYVOUITSA-N", "SMILES:C[C@H](CCCBr)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAEQVUWAEWKYEU-VRPZDKJBSA-N", "SMILES:CC(Br)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPBFNQUIPOQWQC-VRPZDKJBSA-N", "SMILES:CC(Cl)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUWAGBGFJRPDJ-GHSKVMHMSA-N", "SMILES:C=CCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJYGHTUQRHIRJR-SRGSQMPJSA-N", "SMILES:CCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGRQBJCWMGSMJ-QVMRCSLBSA-N", "SMILES:CC=C(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZQJWXYYHGBOKC-GYKMGIIDSA-N", "SMILES:C=C(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQWZVOYEUWXTLN-XBCZOFBYSA-N", "SMILES:CSCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCFWQAHODJJXRF-GHSKVMHMSA-N", "SMILES:CCCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2046773", "category": ["biolink:ChemicalEntity"], "name": "HIMEIC ACID A", "xref": ["InChIKey:OKGLROPOZIVCCZ-HQPKTYMTSA-N", "SMILES:C[C@@H](CC(=O)NC(=O)c1coc(/C=C/CCCCCCCCC(=O)O)cc1=O)C(=O)O"], "chembl_natural_product": true}
{"name": "Ubiquitin-like modifier-activating enzyme 1", "xref": ["CHEMBL.TARGET:CHEMBL5924"], "id": "UniProtKB:P22314", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526126", "category": ["biolink:ChemicalEntity"], "name": "HYRTIOERECTINE B", "xref": ["InChIKey:WYQWRMWMBQUYSD-KSBSHMNSSA-N", "SMILES:C[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccc(O)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2047419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWFBNOFUAHADD-VTYRCZOESA-N", "SMILES:CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL388978", "category": ["biolink:ChemicalEntity"], "name": "STAUROSPORINE", "xref": ["InChIKey:HKSZLNNOFSGOKW-FYTWVXJKSA-N", "SMILES:CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2048846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKKSIROKFEGGD-UHFFFAOYSA-N", "SMILES:Cc1csc(N(C)C(=O)CSc2ccc(-c3ccccc3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPONSKCACOZTGN-UHFFFAOYSA-N", "SMILES:Cc1csc(N(C(=O)CSc2ccc(-c3ccccc3)nn2)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2046801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTAJQEWXJJHUJL-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(Cc1ccccc1)c1cn(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)nn1"]}
{"name": "Hepatocyte growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL2046265"], "id": "UniProtKB:Q75ZY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEVONBQEQBFIJT-UHFFFAOYSA-M", "SMILES:CCn1/c(=C\\C=C\\C2=[N+](CC)c3cccc4cccc2c34)c2cccc3cccc1c32.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNQXTDIPMCJCR-RLXJOQACSA-N", "SMILES:[3H]C([3H])([3H])Nc1ccc(-c2cc3cc(O)ccc3o2)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL579205", "category": ["biolink:ChemicalEntity"], "name": "FLUTEMETAMOL", "xref": ["InChIKey:VVECGOCJFKTUAX-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F"], "synonym": ["Flutemetamol", "[3h]-flutemetamol"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL225111", "category": ["biolink:ChemicalEntity"], "name": "LANOSTEROL", "xref": ["InChIKey:CAHGCLMLTWQZNJ-BQNIITSRSA-N", "SMILES:CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2048325", "category": ["biolink:ChemicalEntity"], "name": "COPROSTANOL", "xref": ["InChIKey:QYIXCDOBOSTCEI-NWKZBHTNSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455876", "category": ["biolink:ChemicalEntity"], "name": "DESMOSTEROL", "xref": ["InChIKey:AVSXSVCZWQODGV-DPAQBDIFSA-N", "SMILES:CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2048323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFMGHWBBACKDO-JVMDNGGPSA-N", "SMILES:CC(Br)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSNOWBZPUCKUDO-JVMDNGGPSA-N", "SMILES:CC(Cl)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDANBTHXLIYNDI-XSLNCIIRSA-N", "SMILES:C=CCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUXWFWQWKZBGFL-QGOUJLTDSA-N", "SMILES:CCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIPNWLVPIGVLH-PXBBAZSNSA-N", "SMILES:CC=C(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTXFQGQBMBVGOO-XSLNCIIRSA-N", "SMILES:CCCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NETDXJRMXDYWAD-NMQWMWRVSA-N", "SMILES:CSCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKEJXYMDPZXNQY-OLSVQSNTSA-N", "SMILES:C[C@H](CCCBr)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLFTZYOYELHUIM-DPAQBDIFSA-N", "SMILES:C=C(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWGPXXNUIQKFHB-UHFFFAOYSA-N", "SMILES:O=C(C1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1)N1CCN(c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORKZGMPBYXFTH-UHFFFAOYSA-N", "SMILES:O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CC2CN(c3ccncc3)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHMPIZVLCHCGBT-UHNVWZDZSA-N", "SMILES:N[C@]1(C(=O)O)C[C@@]1(F)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555196", "category": ["biolink:ChemicalEntity"], "name": "SILVESTROL", "xref": ["InChIKey:GVKXFVCXBFGBCD-QKDMMWSPSA-N", "SMILES:COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(O[C@@H]4O[C@@H]([C@H](O)CO)CO[C@H]4OC)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2058177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSIFOJPWJBRFH-GWNOIRNCSA-N", "SMILES:CONC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(OC)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQGASLUGJGYHRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)C(C(=O)NOCCOCCOCCNC(C)=O)C3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKWOUVZXRMKBX-UHFFFAOYSA-N", "SMILES:COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)C(C(=O)NOCCO)C3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSIFOJPWJBRFH-UHFFFAOYSA-N", "SMILES:CONC(=O)C1C(O)C2(O)c3c(OC)cc(OC)cc3OC2(c2ccc(OC)cc2)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPOYRYYQYJPIX-UHFFFAOYSA-N", "SMILES:COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)C(C(=O)NOCC2CC2)C3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYHCYYZVQUYJL-DMBXUQNDSA-N", "SMILES:COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)c2ccc(CO)o2)[C@H]3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRKRZSPMBVDSX-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c1c(OCCCN(C)C)cc1oc3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOIRTDBHMDWMT-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKBFOTYNXNALDL-CFCSBEMISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)CO[C@@H]4[C@@H](O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCZLNUAXKZKDJ-LIRFIBJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CO[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCZLNUAXKZKDJ-DDJUNUMASA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CO[C@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMOPYYQHEVEVJF-DDJUNUMASA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]4[C@H](O)[C@@H](COCP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMOPYYQHEVEVJF-CFCSBEMISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@@H](O)[C@@H](COCP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOUWODPTOSDQLV-CFCSBEMISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@@H](O)[C@@H](COCP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEKAEIXLJXUGMR-LIRFIBJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEKAEIXLJXUGMR-ARDGATIWSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEKAEIXLJXUGMR-DPEVJOQTSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFTGKEHBIKPLDE-NSHDSACASA-N", "SMILES:C[C@H](N)C(=O)OCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEMGMNBEUDMCCK-NSHDSACASA-N", "SMILES:C[C@H](N)C(=O)OCCOCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSOVWFQILKFSJ-SFHVURJKSA-N", "SMILES:COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)N[C@@H](C)C(=O)OCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc(OC)c3c1OCO3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZIKIXBQUYDTE-SFHVURJKSA-N", "SMILES:COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)N[C@@H](C)C(=O)OCCOCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc(OC)c3c1OCO3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2046690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CITUMTJLERJKKG-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2c(C(=O)OC)cc(OC)c3c2OCO3)c2c(c1OC)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTBBKSFLZZHLT-IZZNHLLZSA-N", "SMILES:CCN(C)c1nc2ccc(C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMDBIKLFXMBCMH-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVXHZNUBLPBIEB-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVTLJYZGVOIQHN-UHFFFAOYSA-N", "SMILES:CCCSc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVZITYNLUYJDOE-UHFFFAOYSA-N", "SMILES:O=C(O)c1nsnc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2058994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXDOUQMFGDSHDX-NNYOXOHSSA-N", "SMILES:NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGFTYFBCSBHJMJ-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJGCDMKYAKFCD-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)Nc2cc(-c3ccccc3)ccc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIAQDSCJIHWTKR-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDNHQNARAEMKS-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWHRFZEWJASIE-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCC(=O)Nc1ccc(C(=O)Nc2cc(N=[N+]=[N-])ccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZRWLKHEWHKDF-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1cc(COC(=O)NCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cc(N=[N+]=[N-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBDKNNQQNFOETC-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1cc(COC(=O)NCc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)cc(N=[N+]=[N-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWPBUGERDCHNM-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNSZVDTUBRFWEP-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDFDOYGLBMQBE-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1cccc(COC(=O)NCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AINXHZPUNWAHKS-LSCFUAHRSA-N", "SMILES:C[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)c2nc(NCc3ccccc3)[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEUYAGPBPFXSY-FLOVFHGHSA-N", "SMILES:Cc1ccc(C)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N(CCCCCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVDIXHOVATNMH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N(C)S(C)(=O)=O)c1"], "synonym": ["NSC-751382"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9514", "category": ["biolink:ChemicalEntity"], "name": "NOCODAZOLE", "xref": ["InChIKey:KYRVNWMVYQXFEU-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1"], "synonym": ["Nocodazole", "Nocodazol", "NSC-238159", "R 17,934", "R-17934", "Nocodazole"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1552019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNBHIGLOMVMJDB-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2oncc2-c2ccc(OC)cc2)c(O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQAZJJDYMCKICI-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)ncn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUGSZLKKUHSNP-FCXRPNKRSA-N", "SMILES:COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(O)c3)ncn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMKSONISLTTHV-NXZHAISVSA-N", "SMILES:CN(C)c1cc(/C=C/c2cc(/C=C/c3ccc(O)c(N(C)C)c3)ncn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOHLOPDTNXVREY-NXZHAISVSA-N", "SMILES:CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)c(O)c3)ncn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHMTZMVSPEWCP-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)nn1-c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1706858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODNMLYGANOZDZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1617574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMSPCTGDYFVMJZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313493", "category": ["biolink:ChemicalEntity"], "name": "METHANESULFONIC ACID METHYL ESTER", "xref": ["InChIKey:MBABOKRGFJTBAE-UHFFFAOYSA-N", "SMILES:COS(C)(=O)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2057662", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2000194", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMYTXBKVYDESSJ-USOAJAOKSA-N", "SMILES:C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2058266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKHISPXHVJNPF-BEEALFCHSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4CCC[C@]35C)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1629800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWNCDOWHNLVPF-HKQXQEGQSA-N", "SMILES:C[C@]12CCC=C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1629802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHYGULCJHAJFX-CWBKUMBBSA-N", "SMILES:C[C@]12CC[C@H]3O[C@H]3[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJVDMWNISUFRJ-HKQXQEGQSA-N", "SMILES:C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1214508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSNOTROAGEHAK-HSPXBGPKSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CC)CCO)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZQOCTWZVWCKEE-FNNHOJDZSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CC)CC(C)(C)O)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYHMQTWHCVOTAO-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC(=O)N4CCOCC4)nn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1481974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCMFSQMNSIPSJS-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12"], "synonym": ["NSC-119915"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSAMRWOMXJWVCE-UHFFFAOYSA-N", "SMILES:CC1C2C=CC1C(c1c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc13)C2C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JADQARCBSBASKV-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccc(S(=O)(=O)O)o2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGEZAODXRMUXFG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccc3nc(O)cc(C)c3c2)cc1S(=O)(=O)O"], "synonym": ["NSC-109483"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1414990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFUYBNYHCZLSY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C(=O)c2ccccc2C(=O)O)cc1C(=O)O"], "synonym": ["NSC-28620"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1370674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRUWUSOUUMPANJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cc2ccc(N)c(C(=O)O)c2)cc1C(=O)O"], "synonym": ["NSC-37136"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2059074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIMXESREAVUOA-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)O)cc1S(=O)(=O)c1cc(C(=O)O)ccc1N"], "synonym": ["NSC-238165"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1333982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYNVBRXIUUSIG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1"], "synonym": ["NSC-75270"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1481453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWYFGKJOJCJJBV-UHFFFAOYSA-N", "SMILES:CNc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-]"], "synonym": ["NSC-156744"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1408031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRIVNNGVIEOOU-UHFFFAOYSA-N", "SMILES:O=C1C=C(Nc2nc(O)cc(C(=O)O)n2)c2ccccc2C1=O"], "synonym": ["NSC-125252"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYIZNABLHZTYJV-UHFFFAOYSA-N", "SMILES:O=C1C=C(Nc2cccc(C(=O)O)c2)c2ccccc2C1=O"], "synonym": ["NSC-117023"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUUVEEJIGXHAME-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccccc2C(=O)O)nc2ccccc21"], "synonym": ["ZINC 00035263"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2003658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUAVQXIWHVWDR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2c(cc1Cl)N=C(CCC(=O)O)NS2(=O)=O"], "synonym": ["NSC-279835"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPPELUBOBZLKD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)nc(O)c1ccccc12"], "synonym": ["NSC-127133"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1331754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDVFTEHTOGVDRE-UHFFFAOYSA-N", "SMILES:CN(CCC(=O)O)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1"], "synonym": ["NSC-46080"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTRFOQAFFEZPZ-MHWRWJLKSA-N", "SMILES:CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C/c1ccc(Cl)cc1"], "synonym": ["NSC-122400"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1600564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTWKEZBNKHBDAW-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O"], "synonym": ["NSC-302042"]}
{"id": "CHEMBL.COMPOUND:CHEMBL357170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNIRKGFUIUCQO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ncccc2c1)Nc1ccc2ncccc2c1"], "synonym": ["NSC-71881"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUDNVNAJWGYIIW-FONVVFRMSA-N", "SMILES:COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC[C@@H]1CCCN(CC[18F])C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267963", "category": ["biolink:ChemicalEntity"], "name": "(+)-PINORESINOL", "xref": ["InChIKey:HGXBRUKMWQGOIE-NSMLZSOPSA-N", "SMILES:COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"name": "Acidic alpha-glucosidase", "synonym": ["Lysosomal alpha-glucosidase"], "xref": ["CHEMBL.TARGET:CHEMBL3513"], "id": "UniProtKB:Q6P7A9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCTOEAMRIIXGDJ-UHFFFAOYSA-N", "SMILES:O=C1OC(=O)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHGKIBZGWYVDJR-UHFFFAOYSA-N", "SMILES:CCCCCCCCC1OC(=O)c2cccc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNBNRKGEMWQKP-UHFFFAOYSA-N", "SMILES:CCCCCCCCC1OC(=O)c2c(O)cccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2057875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEXAAYIPYVUMMU-UHFFFAOYSA-N", "SMILES:CCCCCCCCOC(=O)c1cccc(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMGMPJLGBZQHP-UHFFFAOYSA-N", "SMILES:CCCCCCCCOC(=O)c1cccc([N+](=O)[O-])c1C(=O)O"]}
{"name": "Peroxisome proliferator-activated receptor gamma", "xref": ["CHEMBL.TARGET:CHEMBL4797"], "id": "UniProtKB:O88275", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCVODXFYLKFSO-UHFFFAOYSA-N", "SMILES:Cl.NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBGOPDIMUUTST-POWSXZFQSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCNC(=O)COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1"]}
{"name": "RuvB-like 2", "xref": ["CHEMBL.TARGET:CHEMBL2062349"], "id": "UniProtKB:Q9Y230", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase subunit beta, mitochondrial", "synonym": ["ATP synthase F(1) complex subunit beta, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL2062350"], "id": "UniProtKB:P06576", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase subunit alpha, mitochondrial", "synonym": ["ATP synthase F(1) complex subunit alpha, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL2062351"], "id": "UniProtKB:P25705", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit F", "xref": ["CHEMBL.TARGET:CHEMBL2062352"], "id": "UniProtKB:O00303", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin, cytoplasmic 1", "xref": ["CHEMBL.TARGET:CHEMBL2062353"], "id": "UniProtKB:P60709", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2062934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWLFJVAENFTGAE-NOKOBQPBSA-N", "SMILES:COC(=O)[C@H](c1ccc(N=[N+]=[N-])c([125I])c1)[C@H]1CCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2062565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFFUKLBOFFLLY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXWYWMFKUYABU-UHFFFAOYSA-N", "SMILES:C#CCCOc1oc(=O)c2cc(NC(=O)c3ccccc3)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGRHBBBPXXWMPQ-UHFFFAOYSA-N", "SMILES:C#CCCOc1oc(=O)c2cc(N)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMLQOEYTITYQOY-UHFFFAOYSA-N", "SMILES:C#CCCOc1oc(=O)c2ccccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOSNBEGLKSLITO-UHFFFAOYSA-N", "SMILES:C#CCCC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPQIAMFIRNMDS-UHFFFAOYSA-N", "SMILES:C#CCCC(=O)Nc1ccc2c(Cl)c(OC)oc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQKJGLUYHXBGB-UHFFFAOYSA-N", "SMILES:C#CCCOc1oc(=O)c2cc(NC(=O)CNC(=N)N)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUNJOCUVQXHDT-UHFFFAOYSA-N", "SMILES:C#CCCOc1oc(=O)c2cc(NC(=O)CN)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILPOVVGFJCDOFC-UHFFFAOYSA-N", "SMILES:C#CCCOc1oc(=O)c2cc([N+](=O)[O-])ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUVGJQVIHWBOAG-UHFFFAOYSA-N", "SMILES:C#CCCC(=O)Nc1ccc2c(Cl)c(OCCSC(=N)N)oc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWGBXCAZQDMAN-BHGWPJFGSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LARFOJYTJBXUQJ-IKDPHUIBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C"]}
{"name": "Syndecan-4", "xref": ["CHEMBL.TARGET:CHEMBL2062355"], "id": "UniProtKB:O35988", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIWDSCBYYWVSV-JXHMXMMZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMPOMWCSJVAFBZ-LXHARTQFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIBTXJCEWJXCRX-XULMATDDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDJGJUIWJPNZCA-LXHARTQFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGZGGREDVSJRM-XULMATDDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGASSUSAUNQIM-RZOCSWGFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSBQYKXXZGSJW-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2nc3c(c(=O)[nH]2)C2CCCN2C(=O)N3c2ccccc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXGYHVSKBXTFZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)nn1C(=O)c1nc2c(c(=O)[nH]1)C1CCCN1C(=O)N2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1501622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKLOQCGXUTBNP-UHFFFAOYSA-N", "SMILES:Cc1ccncc1C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL373134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXFEFOIYPNBFK-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAEPACRRPGXBRF-RRFJBIMHSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTIKIXQZBCJTQP-UHFFFAOYSA-N", "SMILES:O=C1N=C(NCc2ccco2)NCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOUXFCFCBCKPY-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccccc2)cc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPMZRYIFIQTNOB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFZZEOPVEMWVJV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc(CNC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXOCZGYLYYWTNH-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)NCc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063215", "category": ["biolink:ChemicalEntity"], "name": "SC-43", "xref": ["InChIKey:QIBWSQJZKMUZAK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc1"], "synonym": ["Sc-43", "SC 43", "SC-43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTBXVCXEAQIBB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLBUIAJFQZTLQU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2cccc(NC(=O)Nc3cccc(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHYNWKIDHLGTH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Oc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYYAEVTZBPXDBI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMASLAKGSYTXBS-UHFFFAOYSA-N", "SMILES:Nc1cc(Oc2cccc(NCc3cccc(OC(F)(F)F)c3)c2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMKLMODJWFEJMY-UHFFFAOYSA-N", "SMILES:Nc1cc(Oc2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQHPNQNTCVWOY-UHFFFAOYSA-N", "SMILES:Nc1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDFWNHOHKGIOH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(Oc3cccc(NCc4cccc(OC(F)(F)F)c4)c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLCHTWPHPHDIGN-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(Oc3cccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGMFVZOKHBRUTL-QURGRASLSA-N", "SMILES:O=S(=O)(O)c1ccc2cc(/N=N/c3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPXMZOXFQFCLGB-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2N=C(C3CC(=O)CC(c4nc5c(=O)n(C)c(=O)n(C)c5[nH]4)N3)NC2N(C)C1=O"], "synonym": ["NSC-106221"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQRKGSZJVPRTRN-NUTRPMROSA-N", "SMILES:CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(O[11CH3])cc3)n2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONJVXOJTVDZPDY-GJQNQZCXSA-N", "SMILES:CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(OCC[18F])cc3)n2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPLQZLXKLQTGRU-KVTPGWOSSA-N", "SMILES:CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(OCCC[18F])cc3)n2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063869", "category": ["biolink:ChemicalEntity"], "name": "GDC-0152", "xref": ["InChIKey:WZRFLSDVFPIXOV-LRQRDZAKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1"], "synonym": ["Gdc-0152"], "chembl_natural_product": true}
{"name": "Baculoviral IAP repeat-containing protein 7", "xref": ["CHEMBL.TARGET:CHEMBL1075127"], "id": "UniProtKB:Q96CA5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071525", "category": ["biolink:ChemicalEntity"], "name": "ALTISSIMACOUMARIN C", "xref": ["InChIKey:NIDLLNZZMATZKI-IIBYNOLFSA-N", "SMILES:COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H](O)[C@](C)(O)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2071526", "category": ["biolink:ChemicalEntity"], "name": "ALTISSIMACOUMARIN D", "xref": ["InChIKey:GEBSUJHFARTCMC-RVDMUPIBSA-N", "SMILES:COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\\C)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2071527", "category": ["biolink:ChemicalEntity"], "name": "ALTISSIMACOUMARIN E", "xref": ["InChIKey:BANQKNDBYSHYOO-VTJXTGGHSA-N", "SMILES:COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H](O)[C@](C)(O)CC[C@H]1OC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2071528", "category": ["biolink:ChemicalEntity"], "name": "ALTISSIMACOUMARIN F", "xref": ["InChIKey:INDVJVFRQZLXKM-XJOINEQPSA-N", "SMILES:COc1cc2ccc(=O)oc2c(OC)c1OC[C@H](O)[C@@H](C)[C@@H]1O[C@H]1C=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2069626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJSMWXSKGFJOKZ-SPDKSDCBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2069627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBFQPSCRGQGZEP-YBKRDZSWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVDTLVLQXSSEC-GXTWGEPZSA-N", "SMILES:C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2069631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDEOKQNSXNQTMN-XJKSGUPXSA-N", "SMILES:C[C@@H]1OC(=O)[C@@H]1NC(=O)CCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHRFRCCOWXEVBM-RQZMOBKGSA-N", "SMILES:CN(C(=O)c1ccc2ccccc2c1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2069635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDBOGMDNQORPHX-BYXCPYIISA-N", "SMILES:COc1cc2ccccc2cc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2069636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHZDRRKSFZNJA-PTSROERVSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2cc(F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DORXQBONJLBEDF-VMPITWQZSA-N", "SMILES:COc1cc(OC)c(OC)cc1/C=C/c1ccc(SC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBPCWAWSQVINQF-AATRIKPKSA-N", "SMILES:COc1cc(/C=C/c2ccc(SC)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGULJBMUJUDJHX-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CC2(C)CC1CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMITTXRKDVNPGH-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CC2(C)CC1CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBGNKDRAKSUHZ-QGCUPYRHSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O"]}
{"name": "Melanocortin receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL2700"], "id": "UniProtKB:P70596", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIXKBAXFLOUEW-NVTOBUBFSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQGGVJRXUWNNU-UVBMYVOISA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CNC(=O)CN(CC(=O)O)CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCZTLPFRMEYFM-UHFFFAOYSA-N", "SMILES:COc1cc2nncc(-c3cnc(NC(C)C)c(C)c3)c2cc1OC"]}
{"name": "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A", "xref": ["CHEMBL.TARGET:CHEMBL6140"], "id": "UniProtKB:Q9QYJ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOQCTLLQYSMCW-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVYIAMUSCZGRO-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYALZEQZMVNQCR-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGSQKJVEWSNNQ-UHFFFAOYSA-N", "SMILES:Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1sc2ccccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVLRWGZZPOKNH-UHFFFAOYSA-N", "SMILES:Cl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1sc2cc(C3=NCCN3)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPBTRNJVPHUGB-UHFFFAOYSA-N", "SMILES:Cl.O=c1[nH]c2ccccc2c2c1sc1cc(C3=NCCN3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMQNKPVDMDDEID-UHFFFAOYSA-N", "SMILES:Cl.O=C(Nc1ccccc1)c1sc2cc(C3=NCCN3)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZUOQZYIWXXEQV-UHFFFAOYSA-N", "SMILES:Cl.O=c1[nH]c2ccc(C3=NCCN3)cc2c2c1sc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDABPREGABBSO-UHFFFAOYSA-N", "SMILES:Cl.Cl.O=c1[nH]c2ccc(C3=NCCN3)cc2c2c1sc1cc(C3=NCCN3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGPOMMPSWQCOY-UHFFFAOYSA-N", "SMILES:Cl.Cn1c(=O)c2sc3ccccc3c2c2cc(C3=NCCN3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQEGPIYLDRANCK-UHFFFAOYSA-N", "SMILES:O=C(OC(c1ccccc1)c1ccccc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMMMWKATWPCRED-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCCBKUPFRNBAM-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)c1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMNVUJVEHZEIDG-UHFFFAOYSA-N", "SMILES:CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIQHODXSDMYLR-CMDGGOBGSA-N", "SMILES:CN(C)c1ccc(/C=C/c2ccc3ncnc(NCc4ccccc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWFZGIBIURUSPH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRCJXUNBUGZDOX-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2ncnc3ccc(NCc4ccc5c(c4)OCCCO5)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUUHEFKRMTXOW-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2ncnc3ccc(NCc4ccc5c(c4)OCCCO5)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVEVEXKUDJROGZ-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C(O)(C#Cc2ccc(S(C)(=O)=O)cc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCYRTXFXRZKSV-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1"]}
{"name": "Activin receptor type-1B", "xref": ["CHEMBL.TARGET:CHEMBL5310"], "id": "UniProtKB:P36896", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase 36", "xref": ["CHEMBL.TARGET:CHEMBL4312"], "id": "UniProtKB:Q9NRP7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKSXJENCMIVQMU-HXUWFJFHSA-N", "SMILES:COc1ccc(-c2cnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTOCWVFCKNJPJO-JOCHJYFZSA-N", "SMILES:COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3nccc4ccccc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611", "category": ["biolink:ChemicalEntity"], "name": "TERAZOSIN", "xref": ["InChIKey:VCKUSRYTPJJLNI-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC"], "synonym": ["Terazosin", "Terazosin", "Terazosin", "Terazosine", "Terazosina", "Terazosin", "Terazosabb", "Terazosin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1115", "category": ["biolink:ChemicalEntity"], "name": "PYRIDOSTIGMINE", "xref": ["InChIKey:RVOLLAQWKVFTGE-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1ccc[n+](C)c1"], "synonym": ["Pyridostigmine", "Pyridostigmine", "Pyridostigmine cation", "Pyridostigmine ion"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201212", "category": ["biolink:ChemicalEntity"], "name": "MIDODRINE", "xref": ["InChIKey:PTKSEFOSCHHMPD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C(O)CNC(=O)CN)c1"], "synonym": ["Midodrine", "Midodrine", "Midodrine", "Midodrina", "Midodrine", "Midodrine", "ST 1085", "ST-1085"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201319", "category": ["biolink:ChemicalEntity"], "name": "METARAMINOL", "xref": ["InChIKey:WXFIGDLSSYIKKV-RCOVLWMOSA-N", "SMILES:C[C@H](N)[C@H](O)c1cccc(O)c1"], "synonym": ["Metaraminol", "Metaraminol", "Metaraminol", "Metaraminol", "Metaraminol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1087", "category": ["biolink:ChemicalEntity"], "name": "MEPIVACAINE", "xref": ["InChIKey:INWLQCZOYSRPNW-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)C1CCCCN1C"], "synonym": ["Mepivacaine", "Mepivacaine", "Mepivacaina", "Mepivacaine", "1-methyl-2',6'-pipecoloxylidide", "2',6'-pipecoloxylidide, 1-methyl-", "Carboplyin dental", "Dl-mepivacaine", "Mepisv", "Mepivacaine", "Tevacaine", "APF-135"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL267936", "category": ["biolink:ChemicalEntity"], "name": "MECAMYLAMINE", "xref": ["InChIKey:IMYZQPCYWPFTAG-UHFFFAOYSA-N", "SMILES:CNC1(C)C2CCC(C2)C1(C)C"], "synonym": ["Mecamylamine", "Mecamylamine", "Mecamilamina", "Mecamylamine", "Mecamylamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL21731", "category": ["biolink:ChemicalEntity"], "name": "MAPROTILINE", "xref": ["InChIKey:QSLMDECMDJKHMQ-UHFFFAOYSA-N", "SMILES:CNCCCC12CCC(c3ccccc31)c1ccccc12"], "synonym": ["Maprotiline", "Maprotiline", "Maprotiline", "Maprotilina", "Maprotiline", "Maprotiline", "BA-34,276 FREE BASE", "BA-34,276 [AS HYDROCHLORIDE]", "BA-34276 FREE BASE", "Maprotiline"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201199", "category": ["biolink:ChemicalEntity"], "name": "LEUPROLIDE", "xref": ["InChIKey:GFIJNRVAKGFPGQ-LIJARHBVSA-N", "SMILES:CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1"], "synonym": ["Leuprorelin", "Leuprorelin", "Leuprorelin", "Leuproreline", "Leuprorelina", "Leuprolide", "(-)-leuprolide", "Leuporelin", "Leuprolide", "Leuprorelin", "Leuprorelin slow release", "ABBOTT-43818 FREE BASE", "CKD-841", "NSC-377526", "TAP-144 FREE BASE"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL291962", "category": ["biolink:ChemicalEntity"], "name": "LEUCINE", "xref": ["InChIKey:ROHFNLRQFUQHCH-YFKPBYRVSA-N", "SMILES:CC(C)C[C@H](N)C(=O)O"], "synonym": ["E641", "Leucine", "Leucina", "L-leucine", "Leucine", "Leucine", "Leucine, l", "FEMA NO. 3297", "NSC-46709", "Leucine", "L-leucine", "Leucine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1621597", "category": ["biolink:ChemicalEntity"], "name": "IPRATROPIUM", "xref": ["InChIKey:OEXHQOGQTVQTAT-BHIXFJMTSA-N", "SMILES:CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2"], "synonym": ["Ipratropium", "Ipratropium cation", "Ipratropium ion"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL896", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYZINE", "xref": ["InChIKey:ZQDWXGKKHFNSQK-UHFFFAOYSA-N", "SMILES:OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1"], "synonym": ["Hydroxyzine", "Hydroxyzine", "Hidroxizina", "Hydroxyzine", "Ataraxoid", "Hydroxyzine", "Marex", "Tran-q", "Tranquizine", "U.c.b-4492", "NSC-169188"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200851", "category": ["biolink:ChemicalEntity"], "name": "HOMATROPINE METHYLBROMIDE", "xref": ["InChIKey:FUFVKLQESJNNAN-RIMUKSHESA-M", "SMILES:C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2.[Br-]"], "synonym": ["Homatropine methylbromide", "Homatropine methylbromide", "Homatropine methylbromide", "Methylbromure d'homatropine", "Metilbromuro de homatropina", "Homatropini methylbromidum", "NSC-34399", "NSC-757048", "Equipin", "Homapin", "Homapin-10", "Homapin-5", "Homatropine methylbromide component of hycodan", "Homatropine methylbromide component of hydropane", "Homatropine methylbromide component of tussigon"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL773", "category": ["biolink:ChemicalEntity"], "name": "GLYCINE", "xref": ["InChIKey:DHMQDGOQFOQNFH-UHFFFAOYSA-N", "SMILES:NCC(=O)O"], "synonym": ["Glycine", "Glycine", "Glycine", "Glicina", "Glycine", "Glycine", "FEMA NO. 3287", "NSC-25936", "Glycolixir"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL980", "category": ["biolink:ChemicalEntity"], "name": "GUAIFENESIN", "xref": ["InChIKey:HSRJKNPTNIJEKV-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCC(O)CO"], "synonym": ["Guaifenesin", "Guaifenesin", "Guaifenesin", "Guaifenesin", "Guaifenesin", "Guaifenesine", "Guaifenesina", "Guaifenesin", "Guaifenesin", "Glyceryl guaiacolate", "Guaiacol glyceryl ether", "Guaifenesin", "Guaifensin", "Guaiphenesin", "Humabid", "Hustosil", "Methphenoxydiol", "Robitussin", "CVT-2534", "NSC-62112", "Amonidron", "Famel", "Franolyn chesty", "Gecolate", "Glycerol guaiacolate", "Guaifenesin", "Guaifenesin component of flowtuss", "Guaifenesin component of hycofenix", "Guaifenesin component of mucinex d", "Guaifenesin component of mucinex dm", "Guaifenesin component of obredon", "Guaifenesin component of xtrelus", "Liqufruta", "Mucinex", "Nirolex for chesty cough decongestant", "Tixylix chesty cough", "Guaifenesin", "Guaifenesin"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL6067485", "category": ["biolink:ChemicalEntity"], "name": "GENTAMICIN", "synonym": ["Gentamicin", "Gentamicin", "Gentamicin", "Gentamicine", "Gentamicina", "Gentamicin", "Gentamicin", "Gentamycin", "Lyramycin", "Oksitselanim", "Septigen", "Uromycine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL657", "category": ["biolink:ChemicalEntity"], "name": "DIPHENHYDRAMINE", "xref": ["InChIKey:ZZVUWRFHKOJYTH-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(c1ccccc1)c1ccccc1"], "synonym": ["Diphenhydramine", "Diphenhydramine", "Difenhidramina", "Diphenhdyra", "Diphenhydramine", "Restamin"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL428880", "category": ["biolink:ChemicalEntity"], "name": "CROMOLYN", "xref": ["InChIKey:IMZMKUWMOSJXDT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1"], "synonym": ["Cromoglicic acid", "Cromoglicic acid", "Acide cromoglicique", "Acido cromoglicico", "Cromolyn", "Cromo-comod", "Cromoglicate", "Cromoglicic acid", "Cromoglycate", "Cromolyn", "R03BC01"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1626", "category": ["biolink:ChemicalEntity"], "name": "CLEMASTINE", "xref": ["InChIKey:YNNUSGIPVFPVBX-NHCUHLMSSA-N", "SMILES:CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1"], "synonym": ["Clemastine", "Clemastine", "Clemastine", "Clemastina", "Clemastine", "Clemastin", "Clemastine", "HS-592", "NSC-756685", "Clemastine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL507674", "category": ["biolink:ChemicalEntity"], "name": "CEFOPERAZONE", "xref": ["InChIKey:GCFBRXLSHGKWDP-XCGNWRKASA-N", "SMILES:CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O"], "synonym": ["Cefoperazone", "Cefoperazone", "Cefoperazone", "Cefoperazona", "Cefoperazone", "Cefoperazone", "Peracef"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL146", "category": ["biolink:ChemicalEntity"], "name": "BUTYLATED HYDROXYTOLUENE", "xref": ["InChIKey:NLZUEZXRPGMBCV-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"], "synonym": ["E321", "Butylated hydroxytoluene", "2,6-di-tert-butyl-p-cresol", "2,6-ditertiary-butyl-p-cresol", "Bht", "Butylated hydroxytoluene", "Butylated hydroxytoluene (e 321)", "Butylhydroxytoluene", "Butylhydroxytoluenum", "Kerabit", "E-321", "FEMA NO. 2184", "INS NO.321", "INS-321", "NSC-6347", "Butylated hydroxytoluene"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL33986", "category": ["biolink:ChemicalEntity"], "name": "BUTORPHANOL", "xref": ["InChIKey:IFKLAQQSCNILHL-QHAWAJNXSA-N", "SMILES:Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3"], "synonym": ["Butorphanol", "Butorphanol", "Butorphanol", "Butorfanol", "Butorphanol", "Butorphanol", "LEVO-BC-2627", "Butorphanol"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1586", "category": ["biolink:ChemicalEntity"], "name": "BECLOMETHASONE", "xref": ["InChIKey:NBMKJKDGKREAPL-DVTGEIKXSA-N", "SMILES:C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"], "synonym": ["Beclometasone", "Beclomethasone", "Beclometasone", "Beclomethasone", "Beclometason"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2449003", "category": ["biolink:ChemicalEntity"], "name": "ENDO-ATROPINE", "xref": ["InChIKey:RKUNBYITZUJHSG-VFSICIBPSA-N", "SMILES:CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL472566", "category": ["biolink:ChemicalEntity"], "name": "ZOXAZOLAMINE", "xref": ["InChIKey:YGCODSQDUUUKIV-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(Cl)ccc2o1"], "synonym": ["Zoxazolamine", "Zoxazolamina", "Contrazole", "Deflexol", "Flexin", "Miazol", "Uri-boi", "Zoxamine", "Zoxine", "MCN-485", "NSC-24995"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL56367", "category": ["biolink:ChemicalEntity"], "name": "NIMESULIDE", "xref": ["InChIKey:HYWYRSMBCFDLJT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1"], "synonym": ["Nimesulide", "Nimesulide", "Nimesulide", "Nimesulida", "Nimesulide", "Nimesulide", "NSC-758412", "R 805", "R-805", "Aulin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL429", "category": ["biolink:ChemicalEntity"], "name": "LABETALOL", "xref": ["InChIKey:SGUAFYQXFOLMHL-UHFFFAOYSA-N", "SMILES:CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1"], "synonym": ["Labetalol", "Labetalol", "Labetalol", "Labetalol", "Ibidomide", "Labetalol", "Normozide", "AH-5158A FREE BASE", "SCH-15719W FREE BASE"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL276832", "category": ["biolink:ChemicalEntity"], "name": "HYDRALAZINE", "xref": ["InChIKey:RPTUSVTUFVMDQK-UHFFFAOYSA-N", "SMILES:NNc1nncc2ccccc12"], "synonym": ["Hydralazine", "Hydralazine", "Hidralazina", "Hydralazine", "Hydralazine", "NSC-126699", "Hydralazine polistirex"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200830", "category": ["biolink:ChemicalEntity"], "name": "FERROUS SULFATE", "synonym": ["Ferrous sulfate", "Ferrous sulfate", "Ferrous sulfate", "Ferrous sulfate hydrate", "Ferrous sulfate", "Ferrous sulfate heptahydrate", "Copperas", "Fer-in-sol", "Ferrosi sulfas", "Ferrous ii sulfate heptahydrate", "Ferrous sulfate", "Ferrous sulfate (1:1)", "Ferrous sulfate anhydrous", "Ferrous sulfate heptahydrate", "Ferrous sulfate hydrate", "Ferrous sulfate, anhydrous", "Ferrous sulfate, exsiccated", "Ferrous sulfate,dried", "Ferrous sulphate", "Ferrous sulphate (1:1)", "Ferrous sulphate anhydrous", "Ferrous sulphate heptahydrate", "Ferrous sulphate, anhydrous", "Ferrum sulphuricum", "Fesofor", "Green vitriol", "Haemofort", "Iron (as ferrous sulfate)", "Iron (as sulphate)", "Iron sulfate (feso4)", "Iron sulphate (feso4)", "Iron vitriol", "Ironate", "Presfersul", "Sulferrous", "NSC-146177", "NSC-57631", "Feosol", "Feospan", "Fero-gradumet", "Ferr sulf, dried", "Ferrograd", "Ferrous sulfate component of folvron", "Mol-iron", "Monsels solution", "Slow-fe"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201288", "category": ["biolink:ChemicalEntity"], "name": "DANTROLENE", "xref": ["InChIKey:OZOMQRBLCMDCEG-VIZOYTHASA-N", "SMILES:O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1"], "synonym": ["Dantrolene", "Dantrolene", "Dantrolene", "Dantroleno", "Dantrolene", "2-methylbenzoic acid anilide", "Bebenil", "Dantrolene", "Mebenil", "O-methylbenzanilide", "O-toluanilide", "BAS-305", "BAS-3050", "BAS-3050F", "F-368", "NSC-227402", "NSC-26404", "SHA-458100", "Dantrolene", "Dantrolene"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL142130", "category": ["biolink:ChemicalEntity"], "name": "CYPROTERONE", "xref": ["InChIKey:DUSHUSLJJMDGTE-ZJPMUUANSA-N", "SMILES:CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C"], "synonym": ["Cyproterone", "Cyproterone", "Cyproterone", "NSC-758636", "Ciproterona servycal"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL753", "category": ["biolink:ChemicalEntity"], "name": "PHENOXYBENZAMINE", "xref": ["InChIKey:QZVCTJOXCFMACW-UHFFFAOYSA-N", "SMILES:CC(COc1ccccc1)N(CCCl)Cc1ccccc1"], "synonym": ["Phenoxybenzamine", "Phenoxybenzamine", "Fenoxibenzamina", "Phenoxybenzamine", "Bensylyt", "Benzylyt", "Dibenylin", "Phenoxybenzamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2075002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBYMOKAONAMZRG-WHACWKHZSA-N", "SMILES:CC[C@H]1OC(=O)CC[C@H](C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQQSKCCHNEAQE-FXPPGXDZSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc(CC4NC(=O)/C(=C/c5ccccc5)N(C)C4=O)c3)cc1)CC2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQQGQFCMYZNMP-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)n(C)c(=O)c2c1ncn2CCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWFCOIGUNPHPM-HKUYNNGSSA-N", "SMILES:COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRMQMNCFYYEFX-UTONKHPSSA-N", "SMILES:CS(=O)(=O)O.Cc1c(N2C[C@@H](N)C3(CC3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12"]}
{"name": "Solute carrier family 22 member 3", "xref": ["CHEMBL.TARGET:CHEMBL1770033"], "id": "UniProtKB:O88446", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL110739", "category": ["biolink:ChemicalEntity"], "name": "CORTICOSTERONE", "xref": ["InChIKey:OMFXVFTZEKFJBZ-HJTSIMOOSA-N", "SMILES:C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO"], "synonym": ["Corticosterone", "11-b,21-dihydroxypregn-3,20-dione", "17-deoxycortisol", "Corticosterone", "Kendall's compound b", "Preg-4-ene-3,20-dione,11-b,21-dihydroxy-", "Reichstein's substance h", "NSC-9705"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1498", "category": ["biolink:ChemicalEntity"], "name": "DESOXYCORTICOSTERONE", "xref": ["InChIKey:ZESRJSPZRDMNHY-YFWFAHHUSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL11978", "category": ["biolink:ChemicalEntity"], "name": "NICOTINYL METHYLAMIDE", "xref": ["InChIKey:ZYVXHFWBYUDDBM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccnc1"], "synonym": ["Nicotinyl methylamide", "NSC-66521", "SR-4415"], "chembl_natural_product": true}
{"name": "Solute carrier family 22 member 2", "xref": ["CHEMBL.TARGET:CHEMBL2073662"], "id": "UniProtKB:O70577", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL920", "category": ["biolink:ChemicalEntity"], "name": "CHOLINE", "xref": ["InChIKey:OEYIOHPDSNJKLS-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CCO"], "chembl_natural_product": true}
{"name": "Solute carrier family 22 member 6", "xref": ["CHEMBL.TARGET:CHEMBL1777665"], "id": "UniProtKB:O35956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316157", "category": ["biolink:ChemicalEntity"], "name": "CEPHALORIDINE", "xref": ["InChIKey:CZTQZXZIADLWOZ-CRAIPNDOSA-N", "SMILES:O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12"], "synonym": ["Cefaloridine", "Cefaloridine", "Cefaloridine", "Cefaloridine", "Cefaloridina", "Cefaloridine", "40602", "Cephaloridine", "Cephaloridine"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1435", "category": ["biolink:ChemicalEntity"], "name": "CEFAZOLIN", "xref": ["InChIKey:MLYYVTUWGNIJIB-BXKDBHETSA-N", "SMILES:Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1"], "synonym": ["Cefazolin", "Cefazolin", "Cefazoline", "Cefazolina", "Cefazolin", "Cefazolin", "J01DB04"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1214", "category": ["biolink:ChemicalEntity"], "name": "CARBENICILLIN", "xref": ["InChIKey:FPPNZSSZRUTDAP-UWFZAAFLSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O"], "synonym": ["Carbenicillin", "Carbenicillin", "Carbenicillin", "Carbenicilline", "Carbenicilina", "Carbenicillin", "Carbenicillin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Solute carrier organic anion transporter family member 1A4", "xref": ["CHEMBL.TARGET:CHEMBL1781860"], "id": "UniProtKB:O35913", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495936", "category": ["biolink:ChemicalEntity"], "name": "LEUKOTRIEN C4", "xref": ["InChIKey:GWNVDXQDILPJIG-YKRBYRBKSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@@H](SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O"], "chembl_natural_product": true}
{"name": "Multidrug resistance-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL2532"], "id": "UniProtKB:O35379", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162492", "category": ["biolink:ChemicalEntity"], "name": "ESTRADIOL DISULFATE", "xref": ["InChIKey:VPLAJGAMHNQZIY-ZBRFXRBCSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3349339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZIGLSSUDXBTLJ-SFFUCWETSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOHJTRCBBDUOW-QXYWQCSFSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLONBVCUAVPJFV-PCDHEYSGSA-N", "SMILES:C[C@]12CC[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL285913", "category": ["biolink:ChemicalEntity"], "name": "TREQUINSIN", "xref": ["InChIKey:MCMSJVMUSBZUCN-YYDJUVGSSA-N", "SMILES:COc1cc2c(cc1OC)-c1c/c(=N\\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2"], "synonym": ["Trequinsin", "Trequinsine", "Trequinsina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL126075", "category": ["biolink:ChemicalEntity"], "name": "DILAZEP", "xref": ["InChIKey:QVZCXCJXTMIDME-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC"], "synonym": ["Dilazep", "Dilazep"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909428", "category": ["biolink:ChemicalEntity"], "name": "p-Chloromercuribenzenesulfonate"}
{"id": "CHEMBL.COMPOUND:CHEMBL1256759", "category": ["biolink:ChemicalEntity"], "name": "5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]", "xref": ["InChIKey:WBSMIPAMAXNXFS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL45068", "category": ["biolink:ChemicalEntity"], "name": "PHLORETIN", "xref": ["InChIKey:VGEREEWJJVICBM-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL275084", "category": ["biolink:ChemicalEntity"], "name": "ISOBUTYLMETHYLXANTHINE", "xref": ["InChIKey:APIXJSLKIYYUKG-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(=O)n(C)c(=O)c2nc[nH]c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL76602", "category": ["biolink:ChemicalEntity"], "name": "alpha-CYANO-4-HYDROXYCINNAMIC ACID", "xref": ["InChIKey:AFVLVVWMAFSXCK-VMPITWQZSA-N", "SMILES:N#C/C(=C\\c1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL311617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGYKKMPNATWHP-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(-c2ccccc2)cc1"]}
{"name": "Solute carrier family 22 member 1", "xref": ["CHEMBL.TARGET:CHEMBL2073664"], "id": "UniProtKB:O08966", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Organic cation/carnitine transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL2073665"], "id": "UniProtKB:Q9Z0E8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1697733", "category": ["biolink:ChemicalEntity"], "name": "ACETYLCARNITINE", "xref": ["InChIKey:RDHQFKQIGNGIED-MRVPVSSYSA-N", "SMILES:CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C"], "synonym": ["Acetylcarnitine", "Acetyl-l-carnitine", "Acetylcarnitine", "Acetyl carnitine hcl", "Acetylcarnitine", "Acetylcarnitine hydrochloride, l-", "Branigen", "Levacecarnine hydrochloride", "Normobren", "Oristar ach", "Zibren", "NSC-747431", "ST-200", "Nicetile", "Oristar acc"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2369947", "category": ["biolink:ChemicalEntity"], "name": "ANTAMANIDE", "xref": ["InChIKey:WTINJQXJTHUFRF-YULYYXEXSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL305666", "category": ["biolink:ChemicalEntity"], "name": "LURTOTECAN", "xref": ["InChIKey:RVFGKBWWUQOIOU-NDEPHWFRSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN1CCN(C)CC1)OCCO3"], "synonym": ["Lurtotecan", "Lurtotecan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL488910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNRAECHCJZNRF-JBACZVJFSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL91867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTYYWOYVBXILOJ-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFQJHBJQVMZGHX-ULIFNZDWSA-N", "SMILES:CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFZNHUSCGNSBE-ULIFNZDWSA-N", "SMILES:CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1525298", "category": ["biolink:ChemicalEntity"], "name": "DIETHYLSTILBESTROL DIPROPIONATE", "xref": ["InChIKey:VZMLEMYJUIIHNF-QURGRASLSA-N", "SMILES:CCC(=O)Oc1ccc(/C(CC)=C(\\CC)c2ccc(OC(=O)CC)cc2)cc1"], "synonym": ["Diethylstilbestrol dipropionate", "Diethylstilbestrol dipropionate", "Diethylstilbestrol propionate", "Dibestil"]}
{"name": "Organic anion transporter 3", "xref": ["CHEMBL.TARGET:CHEMBL2073666"], "id": "UniProtKB:Q9R1U7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231530", "category": ["biolink:ChemicalEntity"], "name": "BETAMIPRON", "xref": ["InChIKey:CWXYHOHYCJXYFQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccccc1"], "synonym": ["Betamipron", "CS-443", "NSC-192714"], "chembl_natural_product": true}
{"name": "Solute carrier family 22 member 4", "xref": ["CHEMBL.TARGET:CHEMBL2073667"], "id": "UniProtKB:Q9R141", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMUPNVSYKGKMY-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(N)c(C(=O)NC(=N)N)nc1Cl"], "chembl_natural_product": true}
{"name": "Solute carrier family 22 member 2", "xref": ["CHEMBL.TARGET:CHEMBL1770032"], "id": "UniProtKB:Q9R0W2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65567", "category": ["biolink:ChemicalEntity"], "name": "CREATININE", "xref": ["InChIKey:DDRJAANPRJIHGJ-UHFFFAOYSA-N", "SMILES:CN1CC(=O)NC1=N"], "synonym": ["Creatinine", "1-methylglycocyamidine", "1-methylhydantoin-2-imide", "Creatinine", "Kreatininum", "NSC-13123", "Creatinine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL821", "category": ["biolink:ChemicalEntity"], "name": "GUANIDINE", "xref": ["InChIKey:ZRALSGWEFCBTJO-UHFFFAOYSA-N", "SMILES:N=C(N)N"], "synonym": ["Guanidine", "Guanidine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Solute carrier family 22 member 4", "xref": ["CHEMBL.TARGET:CHEMBL2073668"], "id": "UniProtKB:Q9H015", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL172513", "category": ["biolink:ChemicalEntity"], "name": "CARNITINE", "xref": ["InChIKey:PHIQHXFUZVPYII-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CC(O)CC(=O)[O-]"], "synonym": ["Carnitine", "Carnitina", "Carnitine dl-form", "Carnitine", "Carnitine, dl-", "Dl-carnitine", "NSC-757390"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL411070", "category": ["biolink:ChemicalEntity"], "name": "GLYCOCHOLIC ACID", "xref": ["InChIKey:RFDAIACWWDREDC-FRVQLJSFSA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "synonym": ["Glycocholic acid", "Cholylglycine", "Glycocholate", "Glycocholic acid"], "chembl_natural_product": true}
{"name": "Multidrug resistance associated protein", "xref": ["CHEMBL.TARGET:CHEMBL2073669"], "id": "UniProtKB:Q96QA9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXEUKVKGTKDDIQ-VHSXEESVSA-N", "SMILES:N[C@@H](CCC(=O)N[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL324846", "category": ["biolink:ChemicalEntity"], "name": "OCTANOIC ACID", "xref": ["InChIKey:WWZKQHOCKIZLMA-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)O"], "synonym": ["Octanoic acid", "Acide octanoique", "Acido octanoico", "Caprylic acid", "Caprylic acid", "1-heptanecarboxylic acid", "Kortacid-0899", "N-octanoic acid", "Octanoic acid", "Prifac-2901", "EDENOR C 8-98-100", "FEMA NO. 2799", "NSC-5024", "Octanoic acid", "Caprylic acid"], "chembl_natural_product": true}
{"name": "Solute carrier family 22 member 1", "xref": ["CHEMBL.TARGET:CHEMBL2073670"], "id": "UniProtKB:Q63089", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL667", "category": ["biolink:ChemicalEntity"], "name": "ACETYLCHOLINE", "xref": ["InChIKey:OIPILFWXSMYKGL-UHFFFAOYSA-N", "SMILES:CC(=O)OCC[N+](C)(C)C"], "synonym": ["Acetylcholine", "Acetylcholine", "Acetylcholine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Solute carrier family 22 member 7", "xref": ["CHEMBL.TARGET:CHEMBL2073671"], "id": "UniProtKB:Q5RLM2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUZLVQKHYICBGG-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2ccn(CCOCP(=O)(O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223737", "category": ["biolink:ChemicalEntity"], "name": "GS-438", "xref": ["InChIKey:NZVORGQIEFTOQZ-UHFFFAOYSA-N", "SMILES:Nc1nc2c(ncn2CCOCP(=O)(O)O)c(=O)[nH]1"], "synonym": ["9-((2-phosphonylmethoxy)ethyl)guanine", "Gs-438", "J291.906K"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRNAOYBCYVZCD-BQBZGAKWSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL380047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAEWTDMGFGHWFK-IMJSIDKUSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL93178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOOWRKBDDXQRHC-BQBZGAKWSA-N", "SMILES:C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL17697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEFJQIDDEAULHB-IMJSIDKUSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL66839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAMLVOVXNKILLQ-BQBZGAKWSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL258605", "category": ["biolink:ChemicalEntity"], "name": "GLYCODEOXYCHOLATE", "xref": ["InChIKey:WVULKSPCQVQLCU-BUXLTGKBSA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL409348", "category": ["biolink:ChemicalEntity"], "name": "GLYCOURSODEOXYCHOLIC ACID", "xref": ["InChIKey:GHCZAUBVMUEKKP-XROMFQGDSA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1552", "category": ["biolink:ChemicalEntity"], "name": "GLYCOCHENODEOXYCHOLATE", "xref": ["InChIKey:GHCZAUBVMUEKKP-GYPHWSFCSA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3527524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJTSZVLGFLZBFK-HQBGAPFHSA-N", "SMILES:C=C[C@H]1C[N+]2(C)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL538442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILGYKHFZXQALF-FBPIOBPTSA-N", "SMILES:CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074727", "category": ["biolink:ChemicalEntity"], "name": "AZIDOPROCAINAMIDE METHOIODIDE", "xref": ["InChIKey:IIRCOFQKZOZQDF-UHFFFAOYSA-N", "SMILES:CC[N+](C)(CC)CCNC(=O)c1ccc(N=[N+]=[N-])cc1.[I-]"]}
{"name": "Solute carrier organic anion transporter family member 1A1", "xref": ["CHEMBL.TARGET:CHEMBL1781859"], "id": "UniProtKB:P46720", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074805", "category": ["biolink:ChemicalEntity"], "name": "E3040 SULFATE", "xref": ["InChIKey:LPZDTQCWCMPFND-UHFFFAOYSA-N", "SMILES:CNc1nc2c(Cc3cccnc3)c(C)c(OS(=O)(=O)O)c(C)c2s1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1159658", "category": ["biolink:ChemicalEntity"], "name": "GOMISIN A", "xref": ["InChIKey:ZWRRJEICIPUPHZ-DAOPMYJZSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL253688", "category": ["biolink:ChemicalEntity"], "name": "SCHIZANDRIN", "xref": ["InChIKey:YEFOAORQXAOVJQ-RZFZLAGVSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL565966", "category": ["biolink:ChemicalEntity"], "name": "SCHISANTHERIN A", "xref": ["InChIKey:VJGNXZQPNWMFAQ-SSEZWIOCSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL479488", "category": ["biolink:ChemicalEntity"], "name": "SCHISANDRIN B", "xref": ["InChIKey:RTZKSTLPRTWFEV-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)CC(C)C(C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL253908", "category": ["biolink:ChemicalEntity"], "name": "SCHISANDRIN A", "xref": ["InChIKey:JEJFTTRHGBKKEI-OKILXGFUSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@H](C)[C@H](C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL152067", "category": ["biolink:ChemicalEntity"], "name": "TALINOLOL", "xref": ["InChIKey:MXFWWQICDIZSOA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1"], "synonym": ["Talinolol", "Talinolol", "Talinolol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2218858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVNQOLPLYWLHQ-GEPVFLLWSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1079119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXZUPBUEKFXTSD-INMULRNOSA-N", "SMILES:C/C(=C\\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@@H](O)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGWMRFXIOXUDPM-HKONDZHQSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)O[C@H](C)C(=O)N2CCCC[C@@H]2C(=O)N(C)[C@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](CC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7568", "category": ["biolink:ChemicalEntity"], "name": "QUINACRINE", "xref": ["InChIKey:GPKJTRJOBQGKQK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12"], "synonym": ["Mepacrine", "Mepacrine", "Mepacrine", "Mepacrina", "Quinacrine", "Atabrine", "Mepacrine", "Quinacrine", "GNF-Pf-5448"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4630684", "category": ["biolink:ChemicalEntity"], "name": "SILYMARIN"}
{"id": "CHEMBL.COMPOUND:CHEMBL28626", "category": ["biolink:ChemicalEntity"], "name": "MORIN", "xref": ["InChIKey:YXOLAZRVSSWPPT-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL131921", "category": ["biolink:ChemicalEntity"], "name": "BIOCHANIN", "xref": ["InChIKey:WUADCCWRTIWANL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1"], "chembl_natural_product": true}
{"name": "Organic anion transporter 3", "xref": ["CHEMBL.TARGET:CHEMBL2073672"], "id": "UniProtKB:O88909", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL302795", "category": ["biolink:ChemicalEntity"], "name": "TENOXICAM", "xref": ["InChIKey:LZNWYQJJBLGYLT-UHFFFAOYSA-N", "SMILES:CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O"], "synonym": ["Tenoxicam", "Tenoxicam", "Tenoxicam", "Tenoxicam", "Tenoxicam", "Tenoxicam", "Tenoxicam", "Tilcotil", "NSC-758397", "RO 12-0068", "RO 12-0068/000", "RO-12-0068/000", "RO-120068000", "Mobiflex", "Tenoxicam"], "chembl_natural_product": true}
{"name": "Solute carrier family 22 member 3", "xref": ["CHEMBL.TARGET:CHEMBL2073673"], "id": "UniProtKB:O75751", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bile salt export pump", "xref": ["CHEMBL.TARGET:CHEMBL2073674"], "id": "UniProtKB:O70127", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185878", "category": ["biolink:ChemicalEntity"], "name": "TAUROCHENODEOXYCHOLATE", "xref": ["InChIKey:BHTRKEVKTKCXOH-BJLOMENOSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL272427", "category": ["biolink:ChemicalEntity"], "name": "TAURURSODIOL", "xref": ["InChIKey:BHTRKEVKTKCXOH-LBSADWJPSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Ursodoxicoltaurine", "Taurursodiol", "Ursodoxicoltaurine", "Tauroursodeoxycholic acid", "Tauroursodesoxycholic acid", "Ur-906", "Ursodeoxy cholic acid", "Ursodeoxycholyltaurine", "Ursodoxicoltaurine", "Taurursodiol component of relyvrio", "Taurursodiol"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL589366", "category": ["biolink:ChemicalEntity"], "name": "3R14S-OCHRATOXIN A", "xref": ["InChIKey:RWQKHEORZBHNRI-BMIGLBTASA-N", "SMILES:C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1"], "chembl_natural_product": true}
{"name": "Solute carrier family 22 member 19", "xref": ["CHEMBL.TARGET:CHEMBL2073675"], "id": "UniProtKB:Q8VCA0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Solute carrier family 15 member 2", "xref": ["CHEMBL.TARGET:CHEMBL3325"], "id": "UniProtKB:Q63424", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWMQSWFLXEGMA-WDSKDSINSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZAGTDAHUIRQA-WHFBIAKZSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105940", "category": ["biolink:ChemicalEntity"], "name": "CEFOSELIS", "xref": ["InChIKey:BHXLLRXDAYEMPP-SBGRAJFYSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc(N)n3CCO)CS[C@H]12)c1csc(N)n1"], "synonym": ["Cefoselis"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBVJBGFJIHJSZ-ZETCQYMHSA-N", "SMILES:CC(C)[C@H](N)C(=O)OC(C)(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIVJVAZDJHDJF-LURJTMIESA-N", "SMILES:CCOC(=O)[C@@H](N)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIRBOOICRQFSOK-NSHDSACASA-N", "SMILES:CC(C)[C@H](N)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL300797", "category": ["biolink:ChemicalEntity"], "name": "TYROSINE METHYL ESTER", "xref": ["InChIKey:MWZPENIJLUWBSY-VIFPVBQESA-N", "SMILES:COC(=O)[C@@H](N)Cc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL51969", "category": ["biolink:ChemicalEntity"], "name": "PHENYLALANINE METHYL ESTER", "xref": ["InChIKey:VSDUZFOSJDMAFZ-VIFPVBQESA-N", "SMILES:COC(=O)[C@@H](N)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1229070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDXUKJJGUSGLS-LURJTMIESA-N", "SMILES:COC(=O)[C@@H](N)CC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1229072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXMMTUJDQTVJEN-WDSKDSINSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1193103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSSATDQUYCRGS-UHFFFAOYSA-N", "SMILES:COC(=O)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWKPPFQULDPWHX-VKHMYHEASA-N", "SMILES:COC(=O)[C@H](C)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1329032", "category": ["biolink:ChemicalEntity"], "name": "ISOSPAGLUMIC ACID", "xref": ["InChIKey:OPVPGKGADVGKTG-BQBZGAKWSA-N", "SMILES:CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O"], "synonym": ["Isospaglumic acid", "Acide isospaglumique", "Acido isospaglumico", "N-acetylaspartylglutamate", "N-acetylaspartylglutamic acid", "Naaga", "ZY 15106", "ZY-15106"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074711", "category": ["biolink:ChemicalEntity"], "name": "GREPAFLOXACIN GLUCURONIDE", "xref": ["InChIKey:XFRNDEMKHRYQIZ-NWHISXNDSA-N", "SMILES:Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)cn2C1CC1"]}
{"name": "ATP-binding cassette sub-family C member 2", "xref": ["CHEMBL.TARGET:CHEMBL2073676"], "id": "UniProtKB:Q63120", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSNPMXROZIQAQD-FMXWRHKGSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYPPLWVDXGNOW-XIFFEERXSA-N", "SMILES:CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYAIUPAWEHSTCA-KBPBESRZSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CSc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(O)c(S(=O)(=O)O)c1)c1ccc(O)c(S(=O)(=O)O)c1)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZLGRUXZXMRXGP-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(-c3c4cc(Cl)c(=O)cc-4oc4cc(O)c(Cl)cc34)ccc2N(CC(=O)O)CC(=O)O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074810", "category": ["biolink:ChemicalEntity"], "name": "NAFENOPIN GLUCURONIDE", "xref": ["InChIKey:KWMAHNPHVSDAGH-RWCPEOFKSA-N", "SMILES:CC(C)(Oc1ccc(C2CCCc3ccccc32)cc1)C(=O)O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUILVWOWLUOEU-GOVZDWNOSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL583", "category": ["biolink:ChemicalEntity"], "name": "GREPAFLOXACIN", "xref": ["InChIKey:AIJTTZAVMXIJGM-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1"], "synonym": ["Grepafloxacin", "Grepafloxacin", "Grepafloxacine", "Grepafloxacino", "Grepafloxacin", "Grepafloxacin"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL273608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEEYASWRWODDTJ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(CN3CCSc4cc(C(=O)NC(CCCC(=O)O)C(=O)O)ccc43)cnc2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL280164", "category": ["biolink:ChemicalEntity"], "name": "APAFANT", "xref": ["InChIKey:JGPJQFOROWSRRS-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2"], "synonym": ["Apafant", "WEB 2086 BS", "WEB-2086-BS", "Apafant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742477", "category": ["biolink:ChemicalEntity"], "name": "FLESINOXAN", "xref": ["InChIKey:NYSDRDDQELAVKP-SFHVURJKSA-N", "SMILES:O=C(NCCN1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1"], "synonym": ["Flesinoxan", "Flesinoxano"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273348", "category": ["biolink:ChemicalEntity"], "name": "TOSUFLOXACIN", "xref": ["InChIKey:WUWFMDMBOJLQIV-UHFFFAOYSA-N", "SMILES:NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1"], "synonym": ["Tosufloxacin", "Tosufloxacin", "Tosufloxacine", "Tosufloxacino", "Tosufloxacin tosilate", "Ozex", "A 61827", "A 67107", "A-61827", "A-67107", "ABBOTT 61827", "ABBOTT-61827", "Tosufloxacin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTGAKUKSLOJVKC-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)CCCC(CNC(=O)NCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1643895", "category": ["biolink:ChemicalEntity"], "name": "RAMOSETRON", "xref": ["InChIKey:NTHPAPBPFQJABD-LLVKDONJSA-N", "SMILES:Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21"], "synonym": ["Ramosetron", "Ramosetron", "Ramosetron"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWNJXPKXYBPWQH-UHFFFAOYSA-N", "SMILES:CCC1C[N+]2(CCCC3(C)N=N3)C3CC45c6ccccc6N(C)C4C2CC1C3C5O"]}
{"name": "ATP-binding cassette sub-family C member 5", "xref": ["CHEMBL.TARGET:CHEMBL2046258"], "id": "UniProtKB:O15440", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1686", "category": ["biolink:ChemicalEntity"], "name": "ALPHA-KETOGLUTARIC ACID", "xref": ["InChIKey:KPGXRSRHYNQIFN-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074851", "category": ["biolink:ChemicalEntity"], "name": "Cyanine-863", "xref": ["InChIKey:QOYNJNDPPQNAPL-UHFFFAOYSA-M", "SMILES:CC[n+]1c(CC2C=C(C)N=C(c3ccccc3)N2C)ccc2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1197556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGJZCWVTGOVGBS-UHFFFAOYSA-N", "SMILES:CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL273521", "category": ["biolink:ChemicalEntity"], "name": "KYOTORPHIN", "xref": ["InChIKey:JXNRXNCCROJZFB-RYUDHWBXSA-N", "SMILES:NC(N)=NCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"name": "Solute carrier family 15 member 2", "xref": ["CHEMBL.TARGET:CHEMBL2073678"], "id": "UniProtKB:Q9ES07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKPVRWZDMRIEO-VKHMYHEASA-N", "SMILES:N[C@@H](CS)C(=O)NCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL242948", "category": ["biolink:ChemicalEntity"], "name": "CARNOSINE", "xref": ["InChIKey:CQOVPNPJLQNMDC-ZETCQYMHSA-N", "SMILES:NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O"], "synonym": ["Carnosine", "NSC-524045"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6067490", "category": ["biolink:ChemicalEntity"], "name": "BETA-ENDORPHIN", "synonym": [".beta.-endorphin", ".beta.-endorphin human", "Beta-endorphin", "Beta-endorphin (1-31)", "Beta-endorphin human"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074599", "category": ["biolink:ChemicalEntity"], "name": "E3040 GLUCURONIDE", "xref": ["InChIKey:RJBKVKVYNJTHJS-DQSYDGHTSA-N", "SMILES:CNc1nc2c(Cc3cccnc3)c(C)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2s1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL493586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSDPYPXEDHVGB-JHZZJYKESA-N", "SMILES:O=C(O)[C@H]1O[C@@H](OCc2cc(=O)oc3cc(O)ccc23)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"name": "Solute carrier organic anion transporter family member 4A1", "xref": ["CHEMBL.TARGET:CHEMBL2073679"], "id": "UniProtKB:Q96BD0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLUQJGVHFRKZQO-NFQQRDPJSA-N", "SMILES:CC(CCC(=O)NC(CCCCNc1ccc([N+](=O)[O-])c2nonc12)COO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANDWRZREYOUTL-SLOIDTMLSA-N", "SMILES:CC(CCC(=O)NCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1057", "category": ["biolink:ChemicalEntity"], "name": "FLUORESCEIN", "xref": ["InChIKey:GNBHRKFJIUUOQI-UHFFFAOYSA-N", "SMILES:O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21"], "synonym": ["Fluorescein", "Fluorescein", "Acid yellow 73", "Fluorescein", "Ki201", "Yellow 7", "CI 45350:1", "NSC-667256", "NSC-759114", "D & c yellow no. 7 k7133"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKHLXIJSNUZDT-KAYWLYCHSA-N", "SMILES:Cc1nc(C)c(P2(=O)O[C@H](C)C[C@@H](C)O2)c(-c2cccc([N+](=O)[O-])c2)c1C(=O)OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCLFWXMTIKCCB-VIFPVBQESA-N", "SMILES:NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL292467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMAWOPBAYDPSLA-UHFFFAOYSA-N", "SMILES:NCC(=O)NCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL288943", "category": ["biolink:ChemicalEntity"], "name": "LEUKOTRIENE D4", "xref": ["InChIKey:YEESKJGWJFYOOK-IJHYULJSSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@@H](SC[C@H](N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O"], "synonym": ["Leukotriene d4", "Leukotriene d", "Leukotriene d4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL509456", "category": ["biolink:ChemicalEntity"], "name": "LEUKOTRIEN E4", "xref": ["InChIKey:OTZRAYGBFWZKMX-FRFVZSDQSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGYAYMMFYBWEX-HXDOPMNESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@@H](SC[C@H](NC(C)=O)C(=O)O)[C@@H](O)CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1209651", "category": ["biolink:ChemicalEntity"], "name": "TETRAMETHYLAMMONIUM", "xref": ["InChIKey:OKIZCWYLBDKLSU-UHFFFAOYSA-M", "SMILES:C[N+](C)(C)C.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236196", "category": ["biolink:ChemicalEntity"], "name": "TETRABUTHYLAMMONIUM", "xref": ["InChIKey:DZLFLBLQUQXARW-UHFFFAOYSA-N", "SMILES:CCCC[N+](CCCC)(CCCC)CCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074857", "category": ["biolink:ChemicalEntity"], "name": "TETRAPROPYLAMMONIUM", "xref": ["InChIKey:OSBSFAARYOCBHB-UHFFFAOYSA-N", "SMILES:CCC[N+](CCC)(CCC)CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCQWXZMVIETAO-UHFFFAOYSA-N", "SMILES:CCCc1oc(CCC(=O)O)c(C(=O)O)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074590", "category": ["biolink:ChemicalEntity"], "name": "INDOLE ACETATE", "xref": ["InChIKey:JBOPQACSHPPKEP-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1233636", "category": ["biolink:ChemicalEntity"], "name": "INDOXYL SULFATE", "xref": ["InChIKey:BXFFHSIDQOFMLE-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)Oc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL461", "category": ["biolink:ChemicalEntity"], "name": "HIPPURIC ACID", "xref": ["InChIKey:QIAFMBKCNZACKA-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL145704", "category": ["biolink:ChemicalEntity"], "name": "BROMCRESOL GREEN", "xref": ["InChIKey:FRPHFZCDPYBUAU-UHFFFAOYSA-N", "SMILES:Cc1c(C2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br"]}
{"name": "Solute carrier organic anion transporter family member 2A1", "xref": ["CHEMBL.TARGET:CHEMBL2073680"], "id": "UniProtKB:Q00910", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1646", "category": ["biolink:ChemicalEntity"], "name": "INDOCYANINE GREEN", "xref": ["InChIKey:MOFVSTNWEDAEEK-UHFFFAOYSA-M", "SMILES:CC1(C)C(/C=C/C=C/C=C/C=C2\\N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21.[Na+]"], "synonym": ["Indocyanine green", "Indocyanine green", "Sindocyanine green", "Spy agent green", "Ic-green", "Indocyanine green", "Spy agent green kit"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074582", "category": ["biolink:ChemicalEntity"], "name": "PROSTAGLANDIN H2", "xref": ["InChIKey:YIBNHAJFJUQSRA-YNNPMVKQSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\\CCCC(=O)O)[C@@H]2C[C@H]1OO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1561148", "category": ["biolink:ChemicalEntity"], "name": "PROSTAGLANDIN B1", "xref": ["InChIKey:YBHMPNRDOVPQIN-VSOYFRJCSA-N", "SMILES:CCCCC[C@H](O)/C=C/C1=C(CCCCCCC(=O)O)C(=O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075005", "category": ["biolink:ChemicalEntity"], "name": "PROSTAGLANDIN D1", "xref": ["InChIKey:CIMMACURCPXICP-PNQRDDRVSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1084644", "category": ["biolink:ChemicalEntity"], "name": "PROSTAGLANDIN A1", "xref": ["InChIKey:BGKHCLZFGPIKKU-LDDQNKHRSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1201244", "category": ["biolink:ChemicalEntity"], "name": "ROCURONIUM", "xref": ["InChIKey:YXRDKMPIGHSVRX-OOJCLDBCSA-N", "SMILES:C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1"], "synonym": ["Rocuronium", "Rocuronium", "Rocuronium cation", "Rocuronium ion"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJTSZVLGFLZBFK-KBYCNLJVSA-N", "SMILES:C=C[C@H]1C[N+]2(C)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1807686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQJQNWXCSUVMA-RYUDHWBXSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL108438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPXQEQOAZMUDD-HOTGVXAUSA-N", "SMILES:NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQJQNWXCSUVMA-NWDGAFQWSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYRSTVQCOXQID-KBPBESRZSA-N", "SMILES:N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIJKWEYCUNYTGY-UWVGGRQHSA-N", "SMILES:O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H]1CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHYMARRIVIIBNV-UWVGGRQHSA-N", "SMILES:O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]1CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLSAVHDWSYPEP-VIFPVBQESA-N", "SMILES:O=C1CNC(=O)[C@H](Cc2ccc(O)cc2)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZOJHXFWJFSFAI-VIFPVBQESA-N", "SMILES:O=C1CNC(=O)[C@H](Cc2ccccc2)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL54278", "category": ["biolink:ChemicalEntity"], "name": "GLYCYLGLYCYLGLYCINE", "xref": ["InChIKey:XKUKSGPZAADMRA-UHFFFAOYSA-N", "SMILES:NCC(=O)NCC(=O)NCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1194823", "category": ["biolink:ChemicalEntity"], "name": "GLYCYL ESTER OF ACYCLOVIR", "xref": ["InChIKey:LOOICXPOOTTXRR-UHFFFAOYSA-N", "SMILES:NCC(=O)OCCOCn1cnc2c(O)nc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074882", "category": ["biolink:ChemicalEntity"], "name": "TETRAMETHYLRHODAMINE", "xref": ["InChIKey:ABZLKHKQJHEPAX-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(N(C)C)cc3[o+]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074883", "category": ["biolink:ChemicalEntity"], "name": "RHODAMINE II", "xref": ["InChIKey:WAWRKBQQBUDAMY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(N(C)C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074884", "category": ["biolink:ChemicalEntity"], "name": "RHODAMINE I", "xref": ["InChIKey:PQMJQYONVLIFOV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(N(C)C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZWDZFWNTFSAGM-PGODJVSRSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUELJKGLEWMMHK-JDGHJNSRSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCJPLUSJLIHBJA-MUDNTRMXSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231574", "category": ["biolink:ChemicalEntity"], "name": "LEVOMEFOLIC ACID", "xref": ["InChIKey:ZNOVTXRBGFNYRX-STQMWFEESA-N", "SMILES:CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"], "synonym": ["Levomefolic acid", "Acide levomefolique", "Acido levomefolico", "(6s)-5-methyltetrahydrofolate", "5- methyltetrahydrofolate", "5-mthf", "L-5-mthf", "L-methylfolate", "Levomefolate", "Levomefolic acid", "Levomefolinic acid", "LMSR", "Bodyfolin", "Metafolin", "Nutrifolin", "Levomefolic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL300841", "category": ["biolink:ChemicalEntity"], "name": "TEMOCAPRILAT", "xref": ["InChIKey:KZVWEOXAPZXAFB-BQFCYCMXSA-N", "SMILES:O=C(O)CN1C[C@@H](c2cccs2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C1=O"], "synonym": ["Temocaprilat", "Temocaprilate", "Temocaprilato", "Temocapril diacid", "Temocapril diacid", "Temocaprilat", "RNH-5139", "RS-5139"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074781", "category": ["biolink:ChemicalEntity"], "name": "OXIDIZED GLUTATHIONE", "xref": ["InChIKey:YOYLWNUBASCTIB-PYJNHQTQSA-N", "SMILES:N[C@@H](CCC(=O)C[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3038248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJLWMXOOYZBTH-VVYCZZSLSA-N", "SMILES:C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O[C@@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c(CCC(=O)O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]3O)c2C)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074600", "category": ["biolink:ChemicalEntity"], "name": "DIBROMOSULFOPHTHALEIN", "xref": ["InChIKey:AANIYWVYGNJWIU-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccc(OS(=O)(=O)O)cc2)(c2ccc(OS(=O)(=O)O)cc2)c2c(Br)ccc(Br)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561", "category": ["biolink:ChemicalEntity"], "name": "LOMEFLOXACIN", "xref": ["InChIKey:ZEKZLJVOYLTDKK-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21"], "synonym": ["Lomefloxacin", "Lomefloxacin", "Lomefloxacin", "Lomefloxacin", "Lomefloxacine", "Lomefloxacino", "Lomefloxacin", "Lomefloxacin", "SC-47111A", "Okacyn", "Lomefloxacin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL441687", "category": ["biolink:ChemicalEntity"], "name": "GLYCYRRHIZIN", "xref": ["InChIKey:LPLVUJXQOOQHMX-QWBHMCJMSA-N", "SMILES:CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"], "synonym": ["Glycyrrhizic acid", "E958", "Glycyrrhizic acid", ".beta.-glycyrrhizin", "18.beta.-glycyrrhizic acid", "Glycyron", "Glycyrrhizate", "Glycyrrhizic acid", "Glycyrrhizin", "Glycyrrhizinate", "Potenlini", "NSC-167409", "NSC-234419", "Glycyrrhizic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074829", "category": ["biolink:ChemicalEntity"], "name": "LIQUIRTIGENIN GLUCURONIDE", "xref": ["InChIKey:DEKKHCCVJAYSFH-ZURLMRQQSA-N", "SMILES:O=C1CC(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428971", "category": ["biolink:ChemicalEntity"], "name": "RHODAMINE", "xref": ["InChIKey:PYWVYCXTNDRMGF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074730", "category": ["biolink:ChemicalEntity"], "name": "ELACRIDAR HYDROCHLORIDE", "xref": ["InChIKey:IQOJZZHRYSSFJM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc1)CC2.Cl"], "synonym": ["Elacridar hcl", "Elacridar hydrochloride", "GF 120918A", "GF-120918A", "Elacridar hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL343002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRDFBSVERLRRMY-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSGHTLNHSMKII-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2c(-c2ccc(F)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1106", "category": ["biolink:ChemicalEntity"], "name": "EPINASTINE", "xref": ["InChIKey:WHWZLSFABNNENI-UHFFFAOYSA-N", "SMILES:NC1=NCC2c3ccccc3Cc3ccccc3N12"], "synonym": ["Epinastine", "Epinastine", "Epinastina", "Epinastine", "Epinastine", "Purivist", "WAL-801"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Hepatic sodium/bile acid cotransporter", "xref": ["CHEMBL.TARGET:CHEMBL4847"], "id": "UniProtKB:P26435", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074807", "category": ["biolink:ChemicalEntity"], "name": "TAUROHYODEOXYCHOLATE", "xref": ["InChIKey:HMXPOCDLAFAFNT-YPDMODCHSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)C1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRKZFHZUIBLGKU-QFIPXVFZSA-N", "SMILES:CCc1c2c(nc3ccc(O)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1201219", "category": ["biolink:ChemicalEntity"], "name": "VECURONIUM", "xref": ["InChIKey:BGSZAXLLHYERSY-XQIGCQGXSA-N", "SMILES:CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1"], "synonym": ["Vecuronium", "Vecuronium", "Vecuronium cation", "Vecuronium ion"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074726", "category": ["biolink:ChemicalEntity"], "name": "TRIBUTYLMETHYLAMMONIUM", "xref": ["InChIKey:HJHUXWBTVVFLQI-UHFFFAOYSA-N", "SMILES:CCCC[N+](C)(CCCC)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGKBSGBYSPTPKJ-UZMKXNTCSA-N", "SMILES:COC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](OC)[C@@H](O[C@H]4[C@H](O)[C@@H](OC)[C@@H](O[C@H]5[C@H](O)[C@@H](OC)[C@@H](O[C@H]6[C@H](O)[C@@H](OC)[C@@H](O[C@H]7[C@H](O)[C@@H](OC)[C@@H](O[C@H]8[C@H](O)[C@@H](OC)[C@@H](O[C@H]1[C@H](O)[C@H]2OC)O[C@@H]8COC)O[C@@H]7COC)O[C@@H]6COC)O[C@@H]5COC)O[C@@H]4COC)O[C@@H]3COC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWOSFAANAZHKR-MRXNPFEDSA-N", "SMILES:COc1ccc([C@@](C#N)(CCCN)C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGHNPZGRAMUJI-MPMNKUSDSA-N", "SMILES:CC(=O)C1CC[C@H]2[C@@H]3[C@H](Sc4ccc(NC(=O)N[C@H](C)c5ccccc5)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL658", "category": ["biolink:ChemicalEntity"], "name": "SUFENTANIL", "xref": ["InChIKey:GGCSSNBKKAUURC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1"], "synonym": ["Sufentanil", "Sufentanil", "Sufentanil", "Sufentanilo", "Sufentanil", "Sufentanil", "Sufentanyl", "IDS-NS-001", "R 30,730", "R-30730", "Sufentanil"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074921", "category": ["biolink:ChemicalEntity"], "name": "DESMETHYLAZELASTINE", "xref": ["InChIKey:WRYCMIFVXDQIKN-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBLPNXEWGBWHW-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Cl)nnc2Oc2cc(C(F)(F)F)ccc2N1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDNVEIAURQYZGK-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Cl)nnc2Oc2ccc(C(F)(F)F)cc2N1CCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVLYLWFIAOFDJF-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Cl)nnc2Oc2ccc(C(F)(F)F)cc2N1CCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRZIVBKESMOPEZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)N(CCCN1CCN(c3ccccc3)CC1)C(=O)c1cc(Cl)nnc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074736", "category": ["biolink:ChemicalEntity"], "name": "TAUROCHENODEOXYCHOLATE SULFATE", "xref": ["InChIKey:GLVWZDCWCRWVFM-KSRHSBLNSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "ATP-binding cassette sub-family C member 3", "xref": ["CHEMBL.TARGET:CHEMBL2073682"], "id": "UniProtKB:O88563", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Organic cation/carnitine transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL1075238"], "id": "UniProtKB:O70594", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074916", "category": ["biolink:ChemicalEntity"], "name": "Propionyl-Carnitine", "xref": ["InChIKey:UFAHZIUFPNSHSL-UHFFFAOYSA-N", "SMILES:CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL437765", "category": ["biolink:ChemicalEntity"], "name": "RIFAMYCIN", "xref": ["InChIKey:HJYYPODYNSCCOU-ODRIEIDWSA-N", "SMILES:CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"], "synonym": ["Rifamycin", "Rifamycin", "Rifamycin", "Rifamycin", "Rifamycine", "Rifamicina", "Rifamycin", "Rifamicine sv", "Rifamycin", "Rifomycin", "Rifomycin sv", "CB-01-11", "M-14", "Rifamycin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1296", "category": ["biolink:ChemicalEntity"], "name": "CEFOTIAM", "xref": ["InChIKey:QYQDKDWGWDOFFU-IUODEOHRSA-N", "SMILES:CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1"], "synonym": ["Cefotiam", "Cefotiam", "Cefotiam", "Cefotiam", "Cefotiam", "Aspil", "Cefotiam", "J01DC07"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2075007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NELLUUAGFXJBKY-GFCCVEGCSA-N", "SMILES:COC(=O)[C@@H](CSCc1ccccc1)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVHABSINROVJJ-ZCFIWIBFSA-N", "SMILES:CCSC[C@@H](NC(C)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCMLZRPNSABAR-QMMMGPOBSA-N", "SMILES:CC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074837", "category": ["biolink:ChemicalEntity"], "name": "TETRAHEXYLAMMONIUM", "xref": ["InChIKey:DTIFFPXSSXFQCJ-UHFFFAOYSA-N", "SMILES:CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC"]}
{"name": "Solute carrier family 22 member 3", "xref": ["CHEMBL.TARGET:CHEMBL2073684"], "id": "UniProtKB:Q9WTW5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Solute carrier organic anion transporter family member 3A1", "xref": ["CHEMBL.TARGET:CHEMBL2073685"], "id": "UniProtKB:Q9UIG8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074595", "category": ["biolink:ChemicalEntity"], "name": "2'-Deoxytubercidin", "xref": ["InChIKey:NIJSNUNKSPLDTO-DJLDLDEBSA-N", "SMILES:Nc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074704", "category": ["biolink:ChemicalEntity"], "name": "TETRAPENTYLAMMONIUM", "xref": ["InChIKey:GJSGYPDDPQRWPK-UHFFFAOYSA-N", "SMILES:CCCCC[N+](CCCCC)(CCCCC)CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL58343", "category": ["biolink:ChemicalEntity"], "name": "AGMATINE", "xref": ["InChIKey:QYPPJABKJHAVHS-UHFFFAOYSA-N", "SMILES:NCCCCN=C(N)N"], "chembl_natural_product": true}
{"name": "Ileal sodium/bile acid cotransporter", "xref": ["CHEMBL.TARGET:CHEMBL2073686"], "id": "UniProtKB:Q62633", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "ATP-binding cassette sub-family C member 10", "xref": ["CHEMBL.TARGET:CHEMBL2073687"], "id": "UniProtKB:Q5T3U5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXBAFXQVZOILS-OETIFKLTSA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSYJXTFJYWBYCN-UHFFFAOYSA-N", "SMILES:OCCNC(=S)NCc1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL327624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSZIWISHLSFWJO-PRABLTMGSA-N", "SMILES:O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074948", "category": ["biolink:ChemicalEntity"], "name": "CEPHARANTHIN", "xref": ["InChIKey:HSVFYEXGVUYSRN-WDYNHAJCSA-N", "SMILES:COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL342696", "category": ["biolink:ChemicalEntity"], "name": "POLYCHLORINATED BIPHENYL 126", "xref": ["InChIKey:REHONNLQRWTIFF-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256399", "category": ["biolink:ChemicalEntity"], "name": "PRISTINAMYCIN 1A", "xref": ["InChIKey:YGXCETJZBDTKRY-DZCVGBHJSA-N", "SMILES:CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYNNIUVBDKICAX-UHFFFAOYSA-M", "SMILES:CCN1C(=C/C=C/c2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074622", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074635", "category": ["biolink:ChemicalEntity"], "name": "BENZOPERIMIDINE"}
{"name": "Solute carrier organic anion transporter family member 1C1", "xref": ["CHEMBL.TARGET:CHEMBL2073688"], "id": "UniProtKB:Q9ERB5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL815", "category": ["biolink:ChemicalEntity"], "name": "DINOPROST", "xref": ["InChIKey:PXGPLTODNUVGFL-YNNPMVKQSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\\CCCC(=O)O)[C@@H](O)C[C@H]1O"], "synonym": ["Dinoprost", "Dinoprost", "Dinoprost", "Dinoprost", "Prostaglandin f2.alpha.", "Pgf2.alpha.", "Pgf2a", "Pgf2alpha", "Prosmon", "Prostaglandin f2-alpha", "Prostaglandin f2.alpha.", "Prostaglandin f2alpha", "U-14,583", "U-14583", "Dinoprost"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Solute carrier organic anion transporter family member 3A1", "xref": ["CHEMBL.TARGET:CHEMBL2073689"], "id": "UniProtKB:Q99N02", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074895", "category": ["biolink:ChemicalEntity"], "name": "PROSTAGLANDIN E5"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074759", "category": ["biolink:ChemicalEntity"], "name": "ETOPOSIDE GLUCURONIDE", "xref": ["InChIKey:URCVASXWNJQAEH-HDWVWLDDSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1622", "category": ["biolink:ChemicalEntity"], "name": "FOLIC ACID", "xref": ["InChIKey:OVBPIULPVIDEAO-LBPRGKRZSA-N", "SMILES:Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1"], "synonym": ["Folic acid", "Folic acid", "Folic acid", "Folic acid", "Acide folique", "Acido folico", "Folic acid", "Acidum folicum", "Folate", "Foldine", "Folettes", "Foliamin", "Folic acid", "Folipac", "Incafolic", "Millafol", "Vitamin b9", "Vitamin bc", "Vitamin m", "B03BB01", "NSC-3073", "Bio science", "Folacin", "Folic acid", "Folic acid component of folvron", "Folic acid component of vitaped", "Folicare", "Folicet", "Folsan", "Folvite", "Lexpec", "Natur flow", "Preconceive", "Roche"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAAOGZMKEJNHLW-HOTGVXAUSA-N", "SMILES:CCCCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1543", "category": ["biolink:ChemicalEntity"], "name": "GLUTATHIONE", "xref": ["InChIKey:RWSXRVCMGQZWBV-WDSKDSINSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O"], "synonym": ["Glutathione", "Glutathione", "Aec glutathione", "Glutathione", "Glutathione, l-", "Glutham", "Isethion", "L-glutathione reduced", "Reduced l-glutathione", "Tathione", "NSC-400639", "Glutathione"], "chembl_natural_product": true}
{"name": "Solute carrier organic anion transporter family member 4C1", "xref": ["CHEMBL.TARGET:CHEMBL2073690"], "id": "UniProtKB:Q6ZQN7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1209949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEMZBWPSKYISTN-YFKPBYRVSA-N", "SMILES:COC(=O)[C@@H](N)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXUDUVUGZWJNHV-QEXRHJMMSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](c2cccs2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJNAHVLKNFOPP-GAGJGVLVSA-N", "SMILES:CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTDOSXMJZIEEDG-CAYKMONMSA-N", "SMILES:CCc1c2c(nc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL117348", "category": ["biolink:ChemicalEntity"], "name": "FOLITIXORIN", "xref": ["InChIKey:QYNUQALWYRSVHF-ABLWVSNPSA-N", "SMILES:Nc1nc(=O)c2c([nH]1)NCC1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21"], "synonym": ["Folitixorin", "Folitixorine", "Folitixorina", "5,10-methylenetetrafolate", "Folitixorin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074655", "category": ["biolink:ChemicalEntity"], "name": "TETRAHYDROFOLATE", "xref": ["InChIKey:MSTNYGQPCMXVAQ-NEPJUHHUSA-N", "SMILES:Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2"], "synonym": ["Tetrahydrofolate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL170988", "category": ["biolink:ChemicalEntity"], "name": "PHENFORMIN", "xref": ["InChIKey:ICFJFFQQTFMIBG-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=N)NCCc1ccccc1"], "synonym": ["Phenformin", "Phenformin", "Phenformine", "Fenformina", "Phenformin", "Phenformin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL39736", "category": ["biolink:ChemicalEntity"], "name": "BUFORMIN", "xref": ["InChIKey:XSEUMFJMFFMCIU-UHFFFAOYSA-N", "SMILES:CCCCNC(=N)NC(=N)N"], "synonym": ["Buformin", "Buformin", "Buformine", "Buformina", "Buformin hydrochloride", "DBV", "W 37", "W-37", "Buformin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1162495", "category": ["biolink:ChemicalEntity"], "name": "GLUTARATE", "xref": ["InChIKey:JFCQEDHGNNZCLN-UHFFFAOYSA-N", "SMILES:O=C(O)CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL318164", "category": ["biolink:ChemicalEntity"], "name": "6-Carboxyfluorescein", "xref": ["InChIKey:YILMHDCPZJTMGI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392630", "category": ["biolink:ChemicalEntity"], "name": "CYCLIC CIDOFOVIR", "xref": ["InChIKey:YXQUGSXUDFTPLL-LURJTMIESA-N", "SMILES:Nc1ccn(C[C@H]2COP(=O)(O)CO2)c(=O)n1"]}
{"name": "Solute carrier family 15 member 1", "xref": ["CHEMBL.TARGET:CHEMBL2073691"], "id": "UniProtKB:P51574", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074720", "category": ["biolink:ChemicalEntity"], "name": "BILIRUBIN MONOGLUCURONIDE", "xref": ["InChIKey:ARBDURHEPGRPSR-XHVNDKKUSA-N", "SMILES:C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O[C@@H]3OC(C(=O)O)[C@@H](O)C(O)C3O)c(CCC(=O)O)c2C)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVGIRMXNFKCASG-HOTGVXAUSA-N", "SMILES:N[C@@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIBOUZRPFCBFX-HOTGVXAUSA-N", "SMILES:NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIXUQKMMBQJZCU-DTWKUNHWSA-N", "SMILES:NCCCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297250", "category": ["biolink:ChemicalEntity"], "name": "GRAPEFRUIT JUICE", "synonym": ["Citrus paradisi (grapefruit) juice", "Citrus paradisi juice", "Citrus x paradisi juice", "Grapefruit juice", "Paradise citrus juice"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074721", "category": ["biolink:ChemicalEntity"], "name": "BANPEIYU"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074612", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074613", "category": ["biolink:ChemicalEntity"], "name": "CREMOPHOR RH 40"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074614", "category": ["biolink:ChemicalEntity"], "name": "CREMOPHOR EL"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074585", "category": ["biolink:ChemicalEntity"], "name": "ESTRADIOL GLUCURONIDE SULFATE", "xref": ["InChIKey:VRMSCBRLZUCJBX-QXYWQCSFSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZORQMBLUMWNJEQ-ZXXIGWHRSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1236070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKIAJMSMKLBQE-JRSYHJKYSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQYGGFDZJFIDPU-JRSYHJKYSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6246", "category": ["biolink:ChemicalEntity"], "name": "ELLAGIC ACID", "xref": ["InChIKey:AFSDNFLWKVMVRB-UHFFFAOYSA-N", "SMILES:O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23"], "synonym": ["Ellagic acid", "Acide ellagique", "Acido elagico", "Ellagic acid", "NSC-407286", "NSC-656272"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074845", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL792", "category": ["biolink:ChemicalEntity"], "name": "URIC ACID", "xref": ["InChIKey:LEHOTFFKMJEONL-UHFFFAOYSA-N", "SMILES:Oc1nc(O)c2nc(O)[nH]c2n1"], "synonym": ["Uric acid", "2,6,8-trioxypurine", "Idelalisib metabolite m54", "Lithic acid", "Uric acid", "Uricum acidum", "NSC-3975"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074987", "category": ["biolink:ChemicalEntity"], "name": "BENZOTHIAZOLYLCYSTEINE", "xref": ["InChIKey:KRBPTLCTECPKGY-ZCFIWIBFSA-N", "SMILES:N[C@H](CSc1nc2ccccc2s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630575", "category": ["biolink:ChemicalEntity"], "name": "CASPOFUNGIN", "xref": ["InChIKey:JYIKNQVWKBUSNH-WVDDFWQHSA-N", "SMILES:CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O"], "synonym": ["Caspofungin", "Caspofungin", "Caspofungin", "Caspofungine", "Caspofungina", "Caspofungin", "Caspofungin", "L-743,872", "L-743872"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXIVUMHWIDLIPT-OWOJBTEDSA-N", "SMILES:O=S(=O)(O)c1cc(N=C=S)ccc1/C=C/c1ccc(NC=S)cc1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMHLUFWWWPBTIU-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBPTLCTECPKGY-LURJTMIESA-N", "SMILES:N[C@@H](CSc1nc2ccccc2s1)C(=O)O"]}
{"name": "ATP-binding cassette sub-family C member 6", "xref": ["CHEMBL.TARGET:CHEMBL2073661"], "id": "UniProtKB:O95255", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL141573", "category": ["biolink:ChemicalEntity"], "name": "PREGNENOLONE SULFATE ", "xref": ["InChIKey:DIJBBUIOWGGQOP-UHFFFAOYSA-N", "SMILES:CC(=O)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1045", "category": ["biolink:ChemicalEntity"], "name": "PHTHALIC ACID", "xref": ["InChIKey:XNGIFLGASWRNHJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)O"], "synonym": ["Phthalic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL146755", "category": ["biolink:ChemicalEntity"], "name": "OXALIC ACID", "xref": ["InChIKey:MUBZPKHOEPUJKR-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O"], "synonym": ["Oxalic acid dianion", "Oxaliplatin related compound a", "NSC-62774"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL358850", "category": ["biolink:ChemicalEntity"], "name": "D-LACTIC ACID", "xref": ["InChIKey:JVTAAEKCZFNVCJ-UWTATZPHSA-N", "SMILES:C[C@@H](O)C(=O)O"], "synonym": ["D-lactic acid", "D-(-)-lactic acid", "D-lactic acid", "Lactic acid, d-", "Propanoic acid, 2-hydroxy-, (2r)-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1261", "category": ["biolink:ChemicalEntity"], "name": "CITRIC ACID", "xref": ["InChIKey:KRKNYBCHXYNGOX-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CC(=O)O)C(=O)O"], "synonym": ["Citric acid", "E330", "Citric acid", "Anhydrous citric acid", "Citric acid", "Citric acid hydrate", "Citric acid", "Acidum citricum", "Acidum citricum monohydrate", "Aciletten", "B1650", "Citrate", "Citric acid", "Citric acid anhydrous", "Citric acid bp", "Citric acid monoglyceride", "Citric acid, hydrous", "Citric acid,anhydrous", "Citric acid,hydrous", "Citricum acidum", "E-330", "FEMA NO. 2306", "INS NO.330", "INS-330", "NSC-112226", "NSC-30279", "NSC-626579", "Citric acid component of clenpiq", "Citric acid component of phexxi", "Citric acid component of prepopik", "Citric acid component of renacidin", "Urologic g", "Anhydrous citric acid", "Citric acid", "Citric acid, anhydrous"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL539", "category": ["biolink:ChemicalEntity"], "name": "ACETIC ACID", "xref": ["InChIKey:QTBSBXVTEAMEQO-UHFFFAOYSA-N", "SMILES:CC(=O)O"], "synonym": ["Acetic acid", "Acetic acid", "Glacial acetic acid", "E260", "Acetic acid, glacial", "Acetic acid", "Antipyrine acetylsalicylate", "Acetic", "Acetic acid", "Acetic acid glacial", "Acetic acid, diluted", "Acetic acid,glacial", "Aceticum acidum", "Acetopyrine", "Acidum aceticum", "Acidum aceticum glaciale", "Acopyrine", "Antipyrine acetylsalicylate", "Distilled vinegar", "Orthoacetic acid", "Pyrosal", "Vinegar", "Vinegar acid", "E-260", "FEMA NO. 2006", "INS NO.260", "INS-260", "NSC-111201", "NSC-112209", "NSC-115870", "NSC-127175", "NSC-132953", "NSC-406306", "Acetasol", "Acetic acid", "Acetic acid component of acetasol hc  , glacial", "Acetic acid component of orlex hc  , glacial", "Acetic acid component of tridesilon  , glacial", "Acetic acid component of vosol hc  , glacial", "Acetic acid, glacial component of tridesilon", "Aci-jel", "Earcalm", "Orlex", "Vosol", "Acetic acid", "Acetic acid, glacial", "Glacial acetic acid"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074589", "category": ["biolink:ChemicalEntity"], "name": "INDOXYL GLUCURONIDE", "xref": ["InChIKey:KUYNOZVWCFXSNE-BYNIDDHOSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074725", "category": ["biolink:ChemicalEntity"], "name": "ACETYLDIGOXIN", "xref": ["InChIKey:HWKJSYYYURVNQU-DXJNJSHLSA-N", "SMILES:CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O"], "synonym": ["Acetyldigoxin", ".alpha.-acetyldigoxin", ".alpha.-acetyldigoxin", "Beta-acetyldigoxin", "Digoxin, 3'''-acetate", "Lanatilin", "Sandolanid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL329007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZLOIBNBDUHEFY-FPOVZHCZSA-N", "SMILES:COc1ccc(N(C)S(C)(=O)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1"]}
{"name": "Solute carrier organic anion transporter family member 1A5", "xref": ["CHEMBL.TARGET:CHEMBL2073692"], "id": "UniProtKB:O88397", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186", "category": ["biolink:ChemicalEntity"], "name": "CEFEPIME", "xref": ["InChIKey:HVFLCNVBZFFHBT-ZKDACBOMSA-N", "SMILES:CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1"], "synonym": ["Cefepime", "Cefepime", "Cefepime", "Cefepime", "Cefepima", "Cefepime", "Cefepime", "BMY-28142", "J01DE01", "VNRX-5022", "Renapime", "Cefepime"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Organic cation/carnitine transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL2073693"], "id": "UniProtKB:O76082", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074778", "category": ["biolink:ChemicalEntity"], "name": "TROGLITAZONE SULFATE", "xref": ["InChIKey:MTCJRDKAPLOLHD-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1OS(=O)(=O)O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL807", "category": ["biolink:ChemicalEntity"], "name": "MEMANTINE", "xref": ["InChIKey:BUGYDGFZZOZRHP-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(N)(C3)C2"], "synonym": ["Memantine", "Memantine", "Memantina", "Memantine", "D-145", "DRG-0267", "NSC-757843"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL818", "category": ["biolink:ChemicalEntity"], "name": "IOBENGUANE", "xref": ["InChIKey:PDWUPXJEEYOOTR-UHFFFAOYSA-N", "SMILES:N=C(N)NCc1cccc(I)c1"], "synonym": ["Iobenguane", "Iobenguane", "Iobenguane (127-i)"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Solute carrier family 22 member 4", "xref": ["CHEMBL.TARGET:CHEMBL2073694"], "id": "UniProtKB:Q9Z306", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3138108", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3138109", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1250", "category": ["biolink:ChemicalEntity"], "name": "1-METHYLXANTHINE", "xref": ["InChIKey:MVOYJPOZRLFTCP-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c2[nH]cnc2c1=O"], "synonym": ["1-Methylxanthine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074762", "category": ["biolink:ChemicalEntity"], "name": "Chlorambucil-taurocholate", "xref": ["InChIKey:NXUMPCNHCFUSHW-KHWJWLOASA-N", "SMILES:CC(CCC(=O)NCCS(=O)(=O)O)C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OCCNC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1389133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNFTWPCIRXSCQF-UJXAPRPESA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](O)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1188", "category": ["biolink:ChemicalEntity"], "name": "ALPHA-HYDROXY-MIDAZOLAM", "xref": ["InChIKey:QHSMEGADRFZVNE-UHFFFAOYSA-N", "SMILES:OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43185", "category": ["biolink:ChemicalEntity"], "name": "PIPERINE", "xref": ["InChIKey:MXXWOMGUGJBKIW-YPCIICBESA-N", "SMILES:O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1"], "synonym": ["Bioperine", "Piperine", "FEMA NO. 2909", "NSC-21727"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074922", "category": ["biolink:ChemicalEntity"], "name": "EFONIDIPINE", "xref": ["InChIKey:NSVFSAJIGAJDMR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1"], "synonym": ["Efonidipine", "Efonidipino"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMKEUYEUWABAN-NSHDSACASA-N", "SMILES:COc1cc(C(=O)C(=O)N2CCCC[C@H]2C(=O)O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL339858", "category": ["biolink:ChemicalEntity"], "name": "DISPROCYNIUM24", "xref": ["InChIKey:TYFOKKOWQOKKCH-UHFFFAOYSA-N", "SMILES:CC(C)N1/C(=C\\c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc21"]}
{"name": "Bile salt export pump", "xref": ["CHEMBL.TARGET:CHEMBL2073695"], "id": "UniProtKB:Q9QY30", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Solute carrier organic anion transporter family member 1A1", "xref": ["CHEMBL.TARGET:CHEMBL2073696"], "id": "UniProtKB:Q9QXZ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Solute carrier organic anion transporter family member 2B1", "xref": ["CHEMBL.TARGET:CHEMBL2073698"], "id": "UniProtKB:Q9JHI3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235252", "category": ["biolink:ChemicalEntity"], "name": "PROSTAGLANDIN D2", "xref": ["InChIKey:BHMBVRSPMRCCGG-OUTUXVNYSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"name": "Solute carrier organic anion transporter family member 2A1", "xref": ["CHEMBL.TARGET:CHEMBL2073699"], "id": "UniProtKB:Q9EPT5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Solute carrier organic anion transporter family member 4A1", "xref": ["CHEMBL.TARGET:CHEMBL2073701"], "id": "UniProtKB:Q99N01", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQNUSMRJKJLEP-IHKTXJEPSA-N", "SMILES:N[C@@H](CCC(=O)N[C@H](CSCCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\\CCCC(=O)O)C(=O)NCC(=O)O)C(=O)O"]}
{"name": "Solute carrier organic anion transporter family member 2A1", "xref": ["CHEMBL.TARGET:CHEMBL2073703"], "id": "UniProtKB:Q92959", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1050", "category": ["biolink:ChemicalEntity"], "name": "LATANOPROST ACID", "xref": ["InChIKey:HNPFPERDNWXAGS-NFVOFSAMSA-N", "SMILES:O=C(O)CCC/C=C\\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O"], "synonym": ["Latanoprost acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRKDNOJTOUSNJ-UHFFFAOYSA-N", "SMILES:NC(CCC(=O)NC(CNCC(=O)O)CSCCN1C(=O)C=CC1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXQZJLWXOSRCE-DTWKUNHWSA-N", "SMILES:N[C@@H](CCC(=O)N[C@H](CSc1cc(=O)n2c(=O)ccn12)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074816", "category": ["biolink:ChemicalEntity"], "name": "Glutathione-methylfluorescein", "xref": ["InChIKey:LDNATPWUBRLWGH-XZOQPEGZSA-N", "SMILES:N[C@@H](CCC(=O)N[C@H](CSCc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162144", "category": ["biolink:ChemicalEntity"], "name": "PYRUVATE", "xref": ["InChIKey:LCTONWCANYUPML-UHFFFAOYSA-N", "SMILES:CC(=O)C(=O)O"], "synonym": ["Pyruvic acid", "2-oxopropanoate", "Pyruvate", "Pyruvic acid", "FEMA NO. 2970", "NSC-179"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWCWTXHTOBJIA-NHCUHLMSSA-N", "SMILES:CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@@H](c2ccccc2)N1"]}
{"name": "Solute carrier organic anion transporter family member 1A3", "xref": ["CHEMBL.TARGET:CHEMBL2073707"], "id": "UniProtKB:P70502", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1480686", "category": ["biolink:ChemicalEntity"], "name": "DEHYDROEPIANDROSTERONE ACETATE", "xref": ["InChIKey:NCMZQTLCXHGLOK-ZKHIMWLXSA-N", "SMILES:CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1"], "chembl_natural_product": true}
{"name": "Ileal sodium/bile acid cotransporter", "xref": ["CHEMBL.TARGET:CHEMBL2073708"], "id": "UniProtKB:P70172", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14021", "category": ["biolink:ChemicalEntity"], "name": "PROPIONIC ACID", "xref": ["InChIKey:XBDQKXXYIPTUBI-UHFFFAOYSA-N", "SMILES:CCC(=O)O"], "synonym": ["E280", "Propionic acid", "Propionic acid", "Antischim b", "Ethanecarboxylic acid", "Luprosil", "Metacetonic acid", "Propanoic acid", "Propionate", "Propionic acid", "E-280", "FEMA NO. 2924", "INS NO.280", "INS-280", "Propionic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL170458", "category": ["biolink:ChemicalEntity"], "name": "DIALLYL SULFIDE", "xref": ["InChIKey:UBJVUCKUDDKUJF-UHFFFAOYSA-N", "SMILES:C=CCSCC=C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL350445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLWUUPVJTLHYIM-RUZDIDTESA-N", "SMILES:O=C(C(c1ccccc1)c1ccccc1)N1CCN(C[C@@H](O)COc2cccc3ncccc23)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL42055", "category": ["biolink:ChemicalEntity"], "name": "E-FLUPENTIXOL", "xref": ["InChIKey:NJMYODHXAKYRHW-BLLMUTORSA-N", "SMILES:OCCN1CCN(CC/C=C2\\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"], "synonym": [".beta.-flupenthixol", "E-flupenthixol", "E-flupentixol", "Flupentixol, (e)-", "Flupentixole", "Trans-flupenthixol", "Trans-flupentixol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1381098", "category": ["biolink:ChemicalEntity"], "name": "1-NAPHTHYLISOTHIOCYANATE", "xref": ["InChIKey:JBDOSUUXMYMWQH-UHFFFAOYSA-N", "SMILES:S=C=Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJYDGPJTBLXRHH-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N/C(=N/C#N)NC2CCC(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONGOQSZBQZMRR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N/C(=N/C#N)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19215", "category": ["biolink:ChemicalEntity"], "name": "METERGOLINE", "xref": ["InChIKey:WZHJKEUHNJHDLS-QTGUNEKASA-N", "SMILES:CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21"], "synonym": ["Metergoline", "Metergoline", "Metergoline", "Metergolina", "FI 6337", "FI-6337", "MCE", "NSC-755878", "Liserdol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL968", "category": ["biolink:ChemicalEntity"], "name": "FLURAZEPAM", "xref": ["InChIKey:SAADBVWGJQAEFS-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21"], "synonym": ["Flurazepam", "Flurazepam", "Flurazepam", "Flurazepam", "Flurazepam", "Insumin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL287889", "category": ["biolink:ChemicalEntity"], "name": "o-Amsacrine", "xref": ["InChIKey:NWOJQTCXMQGGFT-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2c3ccccc3nc3ccccc23)ccc1NS(C)(=O)=O"]}
{"name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "xref": ["CHEMBL.TARGET:CHEMBL2073705"], "id": "UniProtKB:Q7TMS5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Solute carrier organic anion transporter family member 4C1", "xref": ["CHEMBL.TARGET:CHEMBL2073710"], "id": "UniProtKB:Q71MB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1153", "category": ["biolink:ChemicalEntity"], "name": "DIGOXIGENIN", "xref": ["InChIKey:SHIBSTMRCDJXLN-KCZCNTNESA-N", "SMILES:C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O"], "chembl_natural_product": true}
{"name": "Multidrug resistance protein 1a", "synonym": ["P-type phospholipid transporter"], "xref": ["CHEMBL.TARGET:CHEMBL1075135"], "id": "UniProtKB:Q6PSM0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1180725", "category": ["biolink:ChemicalEntity"], "name": "PROPANTHELINE", "xref": ["InChIKey:VVWYOYDLCMFIEM-UHFFFAOYSA-N", "SMILES:CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C"], "synonym": ["Propantheline", "Propantheline cation", "Propantheline ion"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBOZXECLQNJBKD-CYBMUJFWSA-N", "SMILES:CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3349336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTCZZUOESFKPS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1.O=S(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074828", "category": ["biolink:ChemicalEntity"], "name": "INDOMETHACIN GLUCURONIDE", "xref": ["InChIKey:QCBWEVBGELGABM-CZLVRFMKSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1624767", "category": ["biolink:ChemicalEntity"], "name": "2,3-DIMERCAPTO-1-PROPANESULFONIC ACID", "xref": ["InChIKey:JLVSRWOIZZXQAD-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)CC(S)CS"], "synonym": ["2,3-dimercapto-1-propanesulfonic acid", "2,3-dimercapto-1-propanesulfonic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074703", "category": ["biolink:ChemicalEntity"], "name": "OXIDIZED DMPS", "xref": ["InChIKey:DTOFWAYNEZSATC-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)CC(S)CSSCC(S)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAYAMWHRINITL-DPAZEOEGSA-N", "SMILES:N[C@H](CSC(F)(F)C(F)Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJIHCWJOTSJIPQ-OKGOMYSLSA-N", "SMILES:N[C@H](CS/C(Cl)=C/Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445647", "category": ["biolink:ChemicalEntity"], "name": "2-Oxoisohexanoate", "xref": ["InChIKey:BKAJNAXTPSGJCU-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1162496", "category": ["biolink:ChemicalEntity"], "name": "3-HYDROXYBUTYRIC ACID, (+/-)-", "xref": ["InChIKey:WHBMMWSBFZVSSR-UHFFFAOYSA-N", "SMILES:CC(O)CC(=O)O"], "synonym": [".beta.-hydroxybutyric acid", "3-hydroxybutanoate", "3-hydroxybutyric acid, (+/-)-", "Beta-hydroxy-butyrate", "Beta-hydroxybutyrate", "Beta-hydroxybutyric acid", "D,l-3 hydroxybutyrate", "D,l-3-hydroxybutyric acid", "Hydroxybutyric acid, dl-", "NSC-3806"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1230762", "category": ["biolink:ChemicalEntity"], "name": "ACETOACETIC ACID", "xref": ["InChIKey:WDJHALXBUFZDSR-UHFFFAOYSA-N", "SMILES:CC(=O)CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLAONOISLHWJEE-MNOVXSKESA-N", "SMILES:NC(=O)CC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1200929", "category": ["biolink:ChemicalEntity"], "name": "ZINC SULFATE", "xref": ["InChIKey:NWONKYPBYAMBJT-UHFFFAOYSA-L", "SMILES:O=S(=O)([O-])[O-].[Zn+2]"], "synonym": ["Zinc sulfate", "Zinc sulfate", "Zinc sulfate monohydrate", "Zinc sulfate", "Zinc sulfate", "Zinc sulfate monohydrate", "Sulfuric acid, zinc salt (1:1)", "Zinc (as sulfate)", "Zinc (as sulphate)", "Zinc sulfate", "Zinc sulfate (1:1) heptahydrate", "Zinc sulfate (1:1) monohydrate", "Zinc sulfate (anhydrous)", "Zinc sulfate anhydrous", "Zinc sulfate hydrate", "Zinc sulfate monohydrate", "Zinc sulfate, anhydrous", "Zinc sulfate, unspecified", "Zinc sulfate, unspecified form", "Zinc sulfate, unspecified hydrate", "Zinc sulphate", "Zinc sulphate (1:1) heptahydrate", "Zinc sulphate (1:1) monohydrate", "Zinc sulphate anhydrous", "Zinc sulphate hydrate", "Zinc sulphate, anhydrous", "Zinci sulfas heptahydrate", "Zinci sulfas monohydrate", "Zincum sulphuricum", "NSC-135806", "NSC-32677", "Pennine", "Sootheye", "White vitriol", "Z span", "Zinc sulfate", "Zinc sulfate component of multrys", "Zinc sulfate component of tralement", "Zincfrin", "Zincomed", "Zincosol", "Zindole", "Zing", "Zn sulf co"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL440577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANSUDRATXSJBLY-VKHMYHEASA-N", "SMILES:COC(=O)[C@@H](N)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL56119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKEXFJVMVGETOO-LURJTMIESA-N", "SMILES:CC(C)C[C@H](NC(=O)CN)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1221711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAJAOGBVWCYGHZ-JTQLQIEISA-N", "SMILES:NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444092", "category": ["biolink:ChemicalEntity"], "name": "MICROCYSTIN-LR", "xref": ["InChIKey:ZYZCGGRZINLQBL-GWRQVWKTSA-N", "SMILES:C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074722", "category": ["biolink:ChemicalEntity"], "name": "PLURONIC L61"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074627", "category": ["biolink:ChemicalEntity"], "name": "TWEEN 80", "xref": ["InChIKey:HDTIFOGXOGLRCB-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OCCOCC(OCCO)C1OCC(OCCO)C1OCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074881", "category": ["biolink:ChemicalEntity"], "name": "CREMOPHOR EL"}
{"id": "CHEMBL.COMPOUND:CHEMBL2075049", "category": ["biolink:ChemicalEntity"], "name": "PEG 300"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074687", "category": ["biolink:ChemicalEntity"], "name": "PERSIMMON PEEL EXTRACTS"}
{"id": "CHEMBL.COMPOUND:CHEMBL408701", "category": ["biolink:ChemicalEntity"], "name": "TAUROLITHOCHOLIC ACID", "xref": ["InChIKey:QBYUNVOYXHFVKC-GBURMNQMSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Taurolithocholate", "Taurolithocholic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL480687", "category": ["biolink:ChemicalEntity"], "name": "LAMELLARIN I", "xref": ["InChIKey:DJAQGPQDRCRBFP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)OCc1c-2c(-c2ccc(OC)c(OC)c2)c2n1CCc1c-2cc(OC)c(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVDWAVHWGUAQLV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHIBEFIQIVODRN-MQPVNQJGSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CC)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLZZCIAZPGUKC-AYRLRADZSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CC)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLZZCIAZPGUKC-BCHVAGGOSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CC)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330546", "category": ["biolink:ChemicalEntity"], "name": "L-LACTIC ACID", "xref": ["InChIKey:JVTAAEKCZFNVCJ-REOHCLBHSA-N", "SMILES:C[C@H](O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL541", "category": ["biolink:ChemicalEntity"], "name": "BENZOIC ACID", "xref": ["InChIKey:WPYMKLBDIGXBTP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1"], "synonym": ["Benzoic acid", "E210", "Acidum benzoicum", "Benzoic acid (e 210)", "Benzoicum acidum", "Dracylic acid", "Menno-florades", "Vevovitall", "E-210", "FEMA NO. 2131", "INS NO.210", "INS-210", "NSC-149", "Whitfield's"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL20226", "category": ["biolink:ChemicalEntity"], "name": "DELTORPHIN II", "xref": ["InChIKey:NUNBRHVOPFWRRG-RCEFDBTISA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1201407", "category": ["biolink:ChemicalEntity"], "name": "UNOPROSTONE", "xref": ["InChIKey:TVHAZVBUYQMHBC-SNHXEXRGSA-N", "SMILES:CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\\CCCC(=O)O)[C@@H](O)C[C@H]1O"], "synonym": ["Unoprostone", "Unoprostone", "Unoprostona", "Unoprostone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074926", "category": ["biolink:ChemicalEntity"], "name": "TAUROALLOCHOLATE", "xref": ["InChIKey:WBWWGRHZICKQGZ-FETCCXJJSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWAMVXLRDYTBK-IENPIDJESA-N", "SMILES:Cc1cn(COC(=O)C(O)C[C@H](N)C(=O)N(C)CC(=O)O)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWWIPRXKEMOAPE-VIFPVBQESA-N", "SMILES:CN(CC(=O)O)C(=O)[C@@H](N)CCC(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074886", "category": ["biolink:ChemicalEntity"], "name": "MONOHYDROXY MONOGLUTATHIONYL CHLORAMBUCIL", "xref": ["InChIKey:IMDXUTZHSKCFPB-UHFFFAOYSA-N", "SMILES:NC(CCC(=O)NC(CSCCN(CCO)c1ccc(CCCC(=O)O)cc1)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074887", "category": ["biolink:ChemicalEntity"], "name": "BISGLUTATHIONYL CHLORAMBUCIL", "xref": ["InChIKey:BNUJYOOUYLFBQX-FWEHEUNISA-N", "SMILES:C=C(NCC(=O)O)[C@H](CSCCN(CCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1ccc(CCCC(=O)O)cc1)NC(=O)CC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1628111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZIGLSSUDXBTLJ-ZBRFXRBCSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL28", "category": ["biolink:ChemicalEntity"], "name": "APIGENIN", "xref": ["InChIKey:KZNIFHPLKGYRTM-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFSBWQWNMZWFA-UHFFFAOYSA-N", "SMILES:CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)Cc1c(OC(C)=O)ccc2c1Oc1c(ccc(OC(C)=O)c1CN(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)C21OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1973733", "category": ["biolink:ChemicalEntity"], "name": "OFTASCEINE", "xref": ["InChIKey:DEGAKNSWVGKMLS-UHFFFAOYSA-N", "SMILES:O=C(O)CN(CC(=O)O)Cc1cc2c(cc1O)Oc1cc(O)c(CN(CC(=O)O)CC(=O)O)cc1C21OC(=O)c2ccccc21"], "synonym": ["Oftasceine", "Oftasceina", "Calcein", "Fluorescein complexon", "Fluorexon", "NSC-298193"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297251", "category": ["biolink:ChemicalEntity"], "name": "ORANGE JUICE", "synonym": ["Citrus sinensis fruit juice", "Citrus x sinensis juice", "Navel orange juice", "Orange juice", "Orange juice, raw", "Orange juice,raw", "Sweet orange juice", "Valencia orange juice"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8234", "category": ["biolink:ChemicalEntity"], "name": "ENKEPHALIN", "xref": ["InChIKey:URLZCHNOLZSCCA-VABKMULXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074912", "category": ["biolink:ChemicalEntity"], "name": "TAUROTRIHYDROXYCOPROSTANOIC ACID", "xref": ["InChIKey:PHTARZWWYRIHDQ-QNSVROIYSA-N", "SMILES:CC(CCC[C@@H](C)C1CC[C@H]2[C@@H]3[C@H](O)C[C@]4(C(=O)O)C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)NCCS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074892", "category": ["biolink:ChemicalEntity"], "name": "TAUROMUROCHOLATE", "xref": ["InChIKey:HMXPOCDLAFAFNT-CZNXQHJVSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074626", "category": ["biolink:ChemicalEntity"], "name": "CREMOPHOR EL"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074673", "category": ["biolink:ChemicalEntity"], "name": "TERRACINOLIDE K", "xref": ["InChIKey:GIBBWGWWCYZCHW-LTLPZFIOSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(O)[C@H](OC(C)=O)[C@@H]2[C@H]2OC(=O)CC[C@@]2(OC(C)=O)[C@@H]1OC(=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074672", "category": ["biolink:ChemicalEntity"], "name": "TERRACINOLIDE J", "xref": ["InChIKey:MBPOQWRCOVCSFD-LOSMMNSTSA-N", "SMILES:CCC(C)O[C@@]12CCC(=O)O[C@@H]1[C@H]1[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]1(O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074671", "category": ["biolink:ChemicalEntity"], "name": "TERRACINOLIDE H", "xref": ["InChIKey:YAWDIXVIMRZNCX-VOJHQUFTSA-N", "SMILES:CCC(C)O[C@@]12CCC(=O)O[C@@H]1[C@H]1[C@@H](O)[C@](C)(OC(C)=O)C[C@]1(OC(C)=O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074670", "category": ["biolink:ChemicalEntity"], "name": "TERRACINOLIDE C", "xref": ["InChIKey:WKGYNBDVOPHKOW-LTLPZFIOSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](O)[C@@H]2[C@H]2OC(=O)CC[C@@]2(OC(C)=O)[C@@H]1OC(=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074669", "category": ["biolink:ChemicalEntity"], "name": "TERRACINOLIDE B", "xref": ["InChIKey:CJVCPNYZFQYRIV-QXAAWGLWSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]2OC(=O)CC[C@@]2(OC(C)=O)[C@H]1OC(=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074668", "category": ["biolink:ChemicalEntity"], "name": "EPIABEODENDROIDIN F", "xref": ["InChIKey:SEXFBYNVMYVQNC-CHUUSJQZSA-N", "SMILES:C=C1[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@]2(O)C[C@@](C)(O)[C@H](OC(C)=O)[C@@H](C2=O)[C@H]1OC(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074667", "category": ["biolink:ChemicalEntity"], "name": "ABEODENDROIDIN F", "xref": ["InChIKey:NPKTYOMCOMPJSX-IKVVRFFISA-N", "SMILES:C=C1[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@@]2(O)C[C@@](C)(O)[C@H](OC(C)=O)[C@@H](C2=O)[C@H]1OCC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINDQALFBNRRJE-KCYZJMPHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@](C)(O)C(=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]2OC(=O)CC[C@@]2(OC(C)=O)[C@@H]1OC(=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOPJPWSRYZRWPD-QIPSFQQVSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@](C)(O)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]2OC(=O)CC[C@@]2(OC(C)=O)[C@@H]1OC(=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4296683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQIPDFIUPOYMPR-BKYURJJWSA-N", "SMILES:CCCCCCCCC/C=C/C=C/C(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Nc2ncnc3nc[nH]c23)O[C@H]1[C@@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL416956", "category": ["biolink:ChemicalEntity"], "name": "MEFLOQUINE", "xref": ["InChIKey:XEEQGYMUWCZPDN-UHFFFAOYSA-N", "SMILES:OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1"], "synonym": ["Mefloquine", "Mefloquine", "Mefloquine", "Mefloquina", "Mefloquine", "Mefaquin", "Mefloquine", "GNF-Pf-5544", "NSC-758233", "RO 21-5998", "RO-215998", "WR 142,490", "Mefloquine"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1233797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWGETCFOVJEPI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(C(=O)CCN1CCC(Cc3ccccc3)CC1)CCS2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075031", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73930", "category": ["biolink:ChemicalEntity"], "name": "TANGERETIN", "xref": ["InChIKey:ULSUXBXHSYSGDT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL310982", "category": ["biolink:ChemicalEntity"], "name": "HEPATAMETHOXYFLAVONE", "xref": ["InChIKey:UAELIRBOLQZEAT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL235363", "category": ["biolink:ChemicalEntity"], "name": "SUBSTANCE P", "xref": ["InChIKey:ADNPLDHMAVUMIW-CUZNLEPHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O"], "synonym": ["Substance p", "Neurokinin p", "Neuropeptide sp-1", "Sh-oligopeptide-73", "Substance p", "Substance p (1-11)"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074617", "category": ["biolink:ChemicalEntity"], "name": "PUMMELO JUICE"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074615", "category": ["biolink:ChemicalEntity"], "name": "CREMOPHOR EL"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074616", "category": ["biolink:ChemicalEntity"], "name": "PLURONIC L81"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJGLFGYVQHTJNU-MGBGTMOVSA-N", "SMILES:CCn1nc(Cc2ccccc2)cc1C1CCN(Cc2ccc(C3(N(C)[C@@H](C(=O)O)C(C)C)CCCC3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUTDDZFCPPOWFH-BJUDXGSMSA-N", "SMILES:[11CH3]n1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USCDVFNXTCISHV-BJUDXGSMSA-N", "SMILES:[11CH3]n1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1993397", "category": ["biolink:ChemicalEntity"], "name": "AZIDOPINE", "xref": ["InChIKey:SWMHKFTXBOJETC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2ccc(N=[N+]=[N-])cc2)C1c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601773", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROERGOCRISTINE", "xref": ["InChIKey:DEQITUUQPICUMR-HJPBWRTMSA-N", "SMILES:CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O"], "synonym": ["Dihydroergocristine", "9,10-dihydroergocristine", "GNF-PF-3462"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBIBTWLKLMNEQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C#N)(CCCN(CCc2cccc(N=[N+]=[N-])c2)C(C)(C)C)C(C)C)cc(OC)c1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL152371", "category": ["biolink:ChemicalEntity"], "name": "PAFENOLOL", "xref": ["InChIKey:PKWZWSXSCKVUJB-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1ccc(CCNC(=O)NC(C)C)cc1"], "synonym": ["Pafenolol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074689", "category": ["biolink:ChemicalEntity"], "name": "ZOSUQUIDAR TRIHYDROCHLORIDE", "xref": ["InChIKey:ZPFVQKPWGDRLHL-WITOOOCMSA-N", "SMILES:Cl.Cl.Cl.O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1"], "synonym": ["Zosuquidar trihydrochloride", "Zosuquidar trihydrochloride", "NSC-725086", "Zosuquidar trihydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXCCZITYWUQSN-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELXYBYWJJLULA-AREMUKBSSA-N", "SMILES:COc1ccc([C@@](C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2051956", "category": ["biolink:ChemicalEntity"], "name": "DEXNIGULDIPINE", "xref": ["InChIKey:SVJMLYUFVDMUHP-MGBGTMOVSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1"], "synonym": ["Dexniguldipine", "Dexniguldipino", "(r)-niguldipine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074597", "category": ["biolink:ChemicalEntity"], "name": "TRIMETHOXYBENZOYLYOHIMBINE", "xref": ["InChIKey:WIWAJXWQEXVLAU-QZEXFYLGSA-N", "SMILES:COC(=O)[C@@H]1C2CC3c4[nH]c5ccccc5c4CCN3CC2CC[C@@H]1OC(=O)c1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074681", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074682", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSOPTOPTGMYIOB-UHFFFAOYSA-N", "SMILES:CCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074636", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074685", "category": ["biolink:ChemicalEntity"], "name": "BROMOTETRANDRINE", "xref": ["InChIKey:VGZKGYKDQBWBNQ-ZAQUEYBZSA-N", "SMILES:COc1ccc2cc1Oc1ccc(cc1)C[C@@]1(C)c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(Br)c3c1[C@](C)(C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27769", "category": ["biolink:ChemicalEntity"], "name": "STANOLONE", "xref": ["InChIKey:NVKAWKQGWWIWPM-ABEVXSGRSA-N", "SMILES:C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"], "synonym": ["Androstanolone", "Androstanolone", "Androstanolona", "4-dihydrotestosterone", "5alpha-dihydrotestosterone", "Anabolex", "Andractim", "Androstanolone", "Dihydrotestosterone", "Dihydrotestosterone (dht)", "Stanolone", "NSC-10972", "Neodrol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074662", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074663", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074629", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463210", "category": ["biolink:ChemicalEntity"], "name": "CHLORPYRIFOS", "xref": ["InChIKey:SBPBAQFWLVIOKP-UHFFFAOYSA-N", "SMILES:CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl"], "synonym": ["Chlorpyrifos", "Chlorpyrifos", "Chloropyrifos", "Dursban", "ENT-27311", "NSC-755891"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL171679", "category": ["biolink:ChemicalEntity"], "name": "ASPARTAME", "xref": ["InChIKey:IAOZJIPTCAWIRG-QWRGUYRKSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O"], "synonym": ["Aspartame", "Aspartame", "Aspartam", "Aspartamo", "Aspartame", "Aspartame", "Aspartame", "Aspartame (e951)", "Ins no.951", "Ins-951", "Methyl aspartylphenylalanate", "Nutrasweet", "Pal sweet", "Sladex", "Zero-cal", "APM", "E-951", "NSC-758953", "SC-18862", "Equal", "Aspartame", "Aspartame"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYLLJCBCKRIAL-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2369946", "category": ["biolink:ChemicalEntity"], "name": "DEMETHYLPHALLOIN", "xref": ["InChIKey:QFBWBPWXLYXNHF-ZNHPFTDQSA-N", "SMILES:CC(O)C[C@@H]1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)SC[C@@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074777", "category": ["biolink:ChemicalEntity"], "name": "QUINONE FORM", "xref": ["InChIKey:FZZHAEBWLMVRHU-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)C(C)=C(CCC(C)(C)COc2ccc(CC3SC(=O)NC3=O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLCYLDUFOVBENV-SRNOMOOLSA-N", "SMILES:C[C@H](CC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074894", "category": ["biolink:ChemicalEntity"], "name": "MURICHOLATE", "xref": ["InChIKey:DKPMWHFRUGMUKF-UHNJNHTRSA-N", "SMILES:C[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3C(O)C(O)C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074914", "category": ["biolink:ChemicalEntity"], "name": "GLYCOTRIHYDROXYCOPROSTANOIC ACID", "xref": ["InChIKey:GUVRLDKSXFOJQG-IZAZUBEMSA-N", "SMILES:CC(CC(=O)NCC(=O)O)[C@H]1CC[C@@H]2C1[C@@H](O)C[C@@H]1C3CC[C@@H](O)CC3C[C@@H](O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHUYNJFEXPRUGR-RTCCEZQESA-N", "SMILES:C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201768", "category": ["biolink:ChemicalEntity"], "name": "GADOXETATE"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074832", "category": ["biolink:ChemicalEntity"], "name": "BMS241423", "xref": ["InChIKey:SOZOATLLFFVAPM-SVBPBHIXSA-N", "SMILES:CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223643", "category": ["biolink:ChemicalEntity"], "name": "VALINOMYCIN", "xref": ["InChIKey:FCFNRCROJUBPLU-DNDCDFAISA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074764", "category": ["biolink:ChemicalEntity"], "name": "TWEEN 20", "xref": ["InChIKey:QUFQLCNWRIAMTC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C1OCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL644", "category": ["biolink:ChemicalEntity"], "name": "TRIMIPRAMINE", "xref": ["InChIKey:ZSCDBOWYZJWBIY-UHFFFAOYSA-N", "SMILES:CC(CN(C)C)CN1c2ccccc2CCc2ccccc21"], "synonym": ["Trimipramine", "Trimipramine", "Trimipramine", "Trimipramina", "Trimipramine", "Trimeproprimine", "Trimipramine", "7162 RP", "7162-RP", "IL 6001", "IL-6001", "Trimipramine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL278172", "category": ["biolink:ChemicalEntity"], "name": "BENZOCAINE", "xref": ["InChIKey:BLFLLBZGZJTVJG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N)cc1"], "synonym": ["Benzocaine", "Benzocaine", "Benzocaine", "Benzocaina", "Ethyl aminobenzoate", "Benzocaine", "Anaesthesin", "Benzocaine", "Benzocainum", "Ethyl p-aminobenzoate", "Ethyl paba", "Ethyl para-amino benzoate", "Flavamed", "Norcaine", "Parathesin", "Parathesine", "Subcutin", "AR-01", "AR01", "NSC-41531", "NSC-4688", "Aezodent", "Americaine", "Anthisan plus", "Baby anbesol", "Burneze", "Children's chloraseptic", "Dequacaine", "Lanacane", "Medilave", "Nestosyl", "Orajel", "Tyrosolven", "Tyrozets"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074774", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29188", "category": ["biolink:ChemicalEntity"], "name": "LOMERIZINE", "xref": ["InChIKey:JQSAYKKFZOSZGJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC"], "synonym": ["Lomerizine", "Lomerizina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382300", "category": ["biolink:ChemicalEntity"], "name": "ORTATAXEL", "xref": ["InChIKey:BWKDAMBGCPRVPI-ZQRPHVBESA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]34OC(=O)O[C@H]3[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)=C1C4(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"], "synonym": ["Ortataxel", "Ortataxel", "BAY 59-8862", "BAY-59-8862", "IDN 5109", "IDN-5109", "IDN5109", "SB-T 101131", "SB-T-101131"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL541167", "category": ["biolink:ChemicalEntity"], "name": "TETRAMETHYLROSAMINE", "xref": ["InChIKey:GKMBRSQQKZUCGD-UHFFFAOYSA-M", "SMILES:CN(C)c1ccc2c(-c3ccc(CCl)cc3)c3ccc(=[N+](C)C)cc-3oc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074768", "category": ["biolink:ChemicalEntity"], "name": "SESQUITERPENE"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDCRXJPQUQIYFI-XPBCGVHGSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OCc3ccccc3)C3(O)C[C@H](OC(C)=O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2OC(=O)/C=C/c1ccc(C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074708", "category": ["biolink:ChemicalEntity"], "name": "BOSENTAN M2", "xref": ["InChIKey:QOGJFOURIDFEQJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2nc(-c3ncccn3)nc(OCCO)c2Cc2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600", "category": ["biolink:ChemicalEntity"], "name": "ACETYLCYSTEINE", "xref": ["InChIKey:PWKSKIMOESPYIA-BYPYZUCNSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)O"], "synonym": ["Acetylcysteine", "Acetylcysteine", "Acetylcysteine", "Acetylcysteine", "Acetylcysteine", "Acetilcisteina", "Acetylcysteine", "N-acetyl-l-cysteine", "Acetylcysteine", "Acetyl cysteine", "Acetylcysteine", "Broncholysin", "Fluimicil", "Fluimucetin", "Mercapturic acid", "N-acetyi-l-cysteine", "Oristar nalc", "Respaire", "Rk-0202", "Syntemucol", "Tixair", "5052", "NSC-111180", "RK-0202", "A-cys", "Acc-600", "Acetadote", "Acetylcysteine", "Airbron", "Cetylev", "En-cys", "Fabrol", "Fluimucil", "Fluimucil 600", "Fluimucil long", "Fluimucil n", "Ilube", "Mucomyst", "Mucosil", "Mucosil-10", "Mucosil-20", "Oronac 600", "Parvolex", "Respi-nac", "Siran", "Solmucol", "Yournac", "Acetylcysteine", "Acetylcysteine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Hepatic sodium/bile acid cotransporter", "xref": ["CHEMBL.TARGET:CHEMBL2073713"], "id": "UniProtKB:O08705", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPNVNIEXXLNTR-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CCCC(=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074693", "category": ["biolink:ChemicalEntity"], "name": "Butyryl-carnitine", "xref": ["InChIKey:QWYFHHGCZUCMBN-UHFFFAOYSA-N", "SMILES:CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C"], "chembl_natural_product": true}
{"name": "Solute carrier family 15 member 1", "xref": ["CHEMBL.TARGET:CHEMBL2073714"], "id": "UniProtKB:Q9JIP7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503189", "category": ["biolink:ChemicalEntity"], "name": "D-CARNITINE", "xref": ["InChIKey:PHIQHXFUZVPYII-LURJTMIESA-N", "SMILES:C[N+](C)(C)C[C@@H](O)CC(=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL429950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDZLCFIAINOQN-WPRPVWTQSA-N", "SMILES:C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBBEZHAELJFKW-IWTIIAAJSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)ccc4[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1552426", "category": ["biolink:ChemicalEntity"], "name": "THROMBOXANE B2", "xref": ["InChIKey:XNRNNGPBEPRNAR-JQBLCGNGSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1C/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZBPKFICAYVHHM-JWQCQUIFSA-N", "SMILES:CC(C)c1c(C(=O)Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXOKTJHZSUHRJ-XZOQPEGZSA-N", "SMILES:COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)c(C)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL85156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GERNFWKTMKWULM-UHFFFAOYSA-N", "SMILES:C=CCNc1nc(NCC=C)nc(N2CCC(NCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074639", "category": ["biolink:ChemicalEntity"], "name": "TETRACHLOROHYDROQUINONE", "xref": ["InChIKey:STOSPPMGXZPHKP-UHFFFAOYSA-N", "SMILES:Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1313005", "category": ["biolink:ChemicalEntity"], "name": "PHENAMIPHOS", "xref": ["InChIKey:ZCJPOPBZHLUFHF-UHFFFAOYSA-N", "SMILES:CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074801", "category": ["biolink:ChemicalEntity"], "name": "LEPTOPHOS", "xref": ["InChIKey:CVRALZAYCYJELZ-UHFFFAOYSA-N", "SMILES:COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL464812", "category": ["biolink:ChemicalEntity"], "name": "HYDRAMETHYLNON", "xref": ["InChIKey:IQVNEKKDSLOHHK-FNCQTZNRSA-N", "SMILES:CC1(C)CNC(=NN=C(/C=C/c2ccc(C(F)(F)F)cc2)/C=C/c2ccc(C(F)(F)F)cc2)NC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL194400", "category": ["biolink:ChemicalEntity"], "name": "HEPTACHLOR", "xref": ["InChIKey:FRCCEHPWNOQAEU-UHFFFAOYSA-N", "SMILES:ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1903207", "category": ["biolink:ChemicalEntity"], "name": "HEPTACHLOR EPOXIDE", "xref": ["InChIKey:ZXFXBSWRVIQKOD-UHFFFAOYSA-N", "SMILES:ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1164679", "category": ["biolink:ChemicalEntity"], "name": "FLUVALINATE", "xref": ["InChIKey:INISTDXBRIBGOC-CGAIIQECSA-N", "SMILES:CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL194399", "category": ["biolink:ChemicalEntity"], "name": "ENDOSULFAN", "xref": ["InChIKey:RDYMFSUJUZBWLH-UHFFFAOYSA-N", "SMILES:O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL160555", "category": ["biolink:ChemicalEntity"], "name": "DICAPTHON", "xref": ["InChIKey:OTKXWJHPGBRXCR-UHFFFAOYSA-N", "SMILES:COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074800", "category": ["biolink:ChemicalEntity"], "name": "CHLORTHIOPHOS", "xref": ["InChIKey:JAZJVWLGNLCNDD-UHFFFAOYSA-N", "SMILES:CCOP(=S)(OCC)Oc1cc(Cl)c(SC)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462576", "category": ["biolink:ChemicalEntity"], "name": "KEPONE", "xref": ["InChIKey:LHHGDZSESBACKH-UHFFFAOYSA-N", "SMILES:O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074625", "category": ["biolink:ChemicalEntity"], "name": "ROSEMARY EXTRACT"}
{"id": "CHEMBL.COMPOUND:CHEMBL1547", "category": ["biolink:ChemicalEntity"], "name": "THIAMINE ION", "xref": ["InChIKey:JZRWCGZRTZMZEH-UHFFFAOYSA-N", "SMILES:Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1"], "synonym": ["Thiamine ion"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL12137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCQWLOBDIMPRBS-UHFFFAOYSA-M", "SMILES:CC(=O)OC(C)C[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502682", "category": ["biolink:ChemicalEntity"], "name": "PHALLOIDIN", "xref": ["InChIKey:MWJMKONRVQLRKE-UGZLBJHLSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@H]2NC(=O)[C@H](C)NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[C@@H](CSc3[nH]c4ccccc4c32)NC(=O)[C@H]([C@@H](C)O)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL82446", "category": ["biolink:ChemicalEntity"], "name": "AGOSTEROL A", "xref": ["InChIKey:SUIRSZOPEPPNGJ-JGEDILIOSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)C=C3[C@H]([C@H](O)C[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)C)CC[C@@H]34)[C@@]2(C)CC[C@@H]1OC(C)=O"], "chembl_natural_product": true}
{"name": "ATP-binding cassette sub-family C member 11", "xref": ["CHEMBL.TARGET:CHEMBL2073702"], "id": "UniProtKB:Q96J66", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258818", "category": ["biolink:ChemicalEntity"], "name": "LITHOGLYCOCHOLATE", "xref": ["InChIKey:XBSQTYHEGZTYJE-OETIFKLTSA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504880", "category": ["biolink:ChemicalEntity"], "name": "BILIRUBIN DITAURATE", "xref": ["InChIKey:IVYBPZIDQLNIHQ-VYTBREFCSA-N", "SMILES:C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)NCCS(=O)(=O)O)c(CCC(=O)NCCS(=O)(=O)O)c2C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267179", "category": ["biolink:ChemicalEntity"], "name": "N-FORMYLMETHIONYL-LEUCYLPHENYLALANINE", "xref": ["InChIKey:PRQROPMIIGLWRP-BZSNNMDCSA-N", "SMILES:CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074772", "category": ["biolink:ChemicalEntity"], "name": "STEM BARK OF ANNICKIA KUMMERIAE EXTRACT"}
{"id": "CHEMBL.COMPOUND:CHEMBL76447", "category": ["biolink:ChemicalEntity"], "name": "NOBILETIN", "xref": ["InChIKey:MRIAQLRQZPPODS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL77993", "category": ["biolink:ChemicalEntity"], "name": "3,5,6,7,8,3',4'-HEPTAMETHOXYFLAVONE", "xref": ["InChIKey:SSXJHQZOHUYEGD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1575", "category": ["biolink:ChemicalEntity"], "name": "ESTRAMUSTINE", "xref": ["InChIKey:FRPJXPJMRWBBIH-RBRWEJTLSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"], "synonym": ["Estramustine", "Estramustine", "Estramustine", "Estramustina", "Estramustine", "Estramustine", "LEO-275", "LEO275", "NSC-89201", "RO 22-2296/000", "RO-22-2296/000", "RO-22-2296000", "RO-222296000", "Ro-22-2296-000", "Estramustine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWJTCPWUVQELO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2n(CCCn2c3ccccc3c(=O)c3ccccc32)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494856", "category": ["biolink:ChemicalEntity"], "name": "CYTOCHALASIN E", "xref": ["InChIKey:LAJXCUNOQSHRJO-ZYGJITOWSA-N", "SMILES:C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)O/C=C/[C@@](C)(O)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL461242", "category": ["biolink:ChemicalEntity"], "name": "PHENYLHEXYL ISOTHIOCYANATE", "xref": ["InChIKey:VJNWEQGIPZMBMA-UHFFFAOYSA-N", "SMILES:S=C=NCCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQSXCMKFKBZLE-UHFFFAOYSA-N", "SMILES:OC(COc1cccc2ncccc12)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074688", "category": ["biolink:ChemicalEntity"], "name": "ANASTASIA RED EXTRACTS"}
{"id": "CHEMBL.COMPOUND:CHEMBL35228", "category": ["biolink:ChemicalEntity"], "name": "PYRONARIDINE", "xref": ["InChIKey:DJUFPMUQJKWIJB-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1"], "synonym": ["Pyronaridine", "Pironaridina", "Pyronaridine", "Malaridine", "Pyronaridine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075042", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIKVSFNAEBQLGB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL176045", "category": ["biolink:ChemicalEntity"], "name": "FANCHININ", "xref": ["InChIKey:WVTKBKWTSCPRNU-KYJUHHDHSA-N", "SMILES:COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3"], "synonym": ["NSC-77037"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504256", "category": ["biolink:ChemicalEntity"], "name": "FANGCHINOLINE", "xref": ["InChIKey:IIQSJHUEZBTSAT-VMPREFPWSA-N", "SMILES:COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3"], "synonym": ["NSC-77036"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL668", "category": ["biolink:ChemicalEntity"], "name": "PROTRIPTYLINE", "xref": ["InChIKey:BWPIARFWQZKAIA-UHFFFAOYSA-N", "SMILES:CNCCCC1c2ccccc2C=Cc2ccccc21"], "synonym": ["Protriptyline", "Protriptyline", "Protriptyline", "Protriptilina"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074664", "category": ["biolink:ChemicalEntity"], "name": "TAMOLARIZINE", "xref": ["InChIKey:PIKMDZDCXCAPEF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC"], "synonym": ["Tamolarizine", "Tamolarizina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074838", "category": ["biolink:ChemicalEntity"], "name": "Atemoyacin-B", "xref": ["InChIKey:FHAJQHKTDUHPCJ-UHFFFAOYSA-N", "SMILES:CCCCCC(O)CCCCC(O)C1CCC(C2CCC(C(O)CCCCCCCCCCC3=CC(C)OC3=O)O2)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1232444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAZVHYPASAQKM-JBAURARKSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CCC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL191422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIINQLBHPIQYHN-JTQLQIEISA-N", "SMILES:N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXAUOPDVAKGRPR-WYCDGMCDSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWBDVYZRIRIGI-WGQZAXTISA-N", "SMILES:CN(CCCC(C[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccnc1)N=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54933", "category": ["biolink:ChemicalEntity"], "name": "LEU-LEU", "xref": ["InChIKey:LCPYQJIKPJDLLB-UWVGGRQHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL347510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOFXURALSTHIV-UHFFFAOYSA-N", "SMILES:CC(N)C(=S)N1CCCC1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJUNIYRYIAIHF-IUCAKERBSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1221709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUEFQXUHTUZXHR-LURJTMIESA-N", "SMILES:NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPXVJIDADUOQB-RCOVLWMOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)CN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWUFUBLGADILS-WDSKDSINSA-N", "SMILES:C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTHTQWIQKEDEH-BQBZGAKWSA-N", "SMILES:C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742475", "category": ["biolink:ChemicalEntity"], "name": "FLEZELASTINE", "xref": ["InChIKey:HQFSNUYUXXPVKL-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2c(Cc2ccc(F)cc2)nn1C1CCCN(CCc2ccccc2)CC1"], "synonym": ["Flezelastine", "Flezelastina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276558", "category": ["biolink:ChemicalEntity"], "name": "COELENTERAZINE", "xref": ["InChIKey:LNCOEGVEEQDKGX-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074806", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYRUBICIN", "xref": ["InChIKey:HEQRYQONNHFDHG-TZSSRYMLSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL888", "category": ["biolink:ChemicalEntity"], "name": "GEMCITABINE", "xref": ["InChIKey:SDUQYLNIPVEERB-QPPQHZFASA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1"], "synonym": ["Gemcitabine", "Gemcitabine", "Gemcitabine", "Gemcitabine", "Gemcitabina", "Gemcitabine", "Gemcitabine", "LY-188011", "LY188011", "NSC-613327", "Gemzar", "Gemcitabine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPMKLHAHLBVLL-IEHUTTBWSA-N", "SMILES:C=C1[C@@H](OC(=O)CCc2ccccc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074769", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROPYRROLOQUINOLINE"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074677", "category": ["biolink:ChemicalEntity"], "name": "BITTER MELON LEAF EXTRACT"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPYFCYMXHGAZTF-WXYIYAPGSA-N", "SMILES:C[C@H](C[C@](O)(CC(=O)O)C1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@H](CCC4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074637", "category": ["biolink:ChemicalEntity"], "name": "PEPLUANIN", "xref": ["InChIKey:SHDZRELSKRRBMR-UGKIZFMNSA-N", "SMILES:C=C1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074684", "category": ["biolink:ChemicalEntity"], "name": "MITOTRACKER GREEN", "xref": ["InChIKey:RUVJFMSQTCEAAB-UHFFFAOYSA-M", "SMILES:CN1/C(=C/C=C/c2n(Cc3ccc(CCl)cc3)c3cc(Cl)c(Cl)cc3[n+]2Cc2ccc(CCl)cc2)Oc2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074603", "category": ["biolink:ChemicalEntity"], "name": "BITTER MELON"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074735", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROCYTOCHALASIN B", "xref": ["InChIKey:WIULKAASLBZREV-RXPQEOCGSA-N", "SMILES:C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2108463", "category": ["biolink:ChemicalEntity"], "name": "GARLIC", "synonym": ["Ae-garlic", "Allii bulbus", "Allii sativi bulbus", "Allium arenarium bulb", "Allium controversum bulb", "Allium longicuspis bulb", "Allium ophioscorodon bulb", "Allium pekinense bulb", "Allium sativum", "Allium sativum (garlic) bulb powder", "Allium sativum bulb", "Allium sativum bulb extract", "Allium sativum bulb powder", "Allium sativum extract", "Allium sativum ophioscorodon", "Allium sativum powder", "Allium sativum whole", "Cultivated garlic whole", "Dasuan", "Garlic", "Garlic bulb", "Garlic powder", "Garlic root", "Garlic whole", "Garlic, raw", "Garlic,raw", "Porrum ophioscorodon bulb", "Porrum sativum bulb", "Serpent garlic", "Spices, garlic powder", "B1233"]}
{"name": "Solute carrier family 22 member 21", "xref": ["CHEMBL.TARGET:CHEMBL2073715"], "id": "UniProtKB:Q9WTN6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074739", "category": ["biolink:ChemicalEntity"], "name": "Octanoyl-carnitine", "xref": ["InChIKey:MYMFUYYXIJGKKU-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301722", "category": ["biolink:ChemicalEntity"], "name": "Palmitoyl-carnitine", "xref": ["InChIKey:XOMRRQXKHMYMOC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1794791", "category": ["biolink:ChemicalEntity"], "name": "OXALOACETATE", "xref": ["InChIKey:KHPXUQMNIQBQEV-UHFFFAOYSA-N", "SMILES:O=C(O)CC(=O)C(=O)O"], "synonym": ["Oxalacetic acid", "Oxalacetic acid trans-(z)-enol form", "Anhydrous enol-oxaloacetate", "Bioepg", "Oxalacetic acid", "Oxaloacetate", "Oxaloacetic acid", "Oxosuccinic acid", "NSC-77688"], "chembl_natural_product": true}
{"name": "Solute carrier family 22 member 7", "xref": ["CHEMBL.TARGET:CHEMBL2073716"], "id": "UniProtKB:Q91WU2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "ATP-binding cassette sub-family C member 2", "xref": ["CHEMBL.TARGET:CHEMBL2073681"], "id": "UniProtKB:Q8VI47", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Solute carrier family 22 member 6", "xref": ["CHEMBL.TARGET:CHEMBL5653"], "id": "UniProtKB:Q8VC69", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1534", "category": ["biolink:ChemicalEntity"], "name": "RIBOFLAVIN", "xref": ["InChIKey:AUNGANRZJHBGPY-SCRDCRAPSA-N", "SMILES:Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C"], "synonym": ["Riboflavin", "Riboflavin (vit b2)", "Riboflavin", "E101", "Riboflavin", "Vitamin b2", "Riboflavin", "Riboflavine", "Riboflavina", "Riboflavin", "Riboflavin", "Bisulase", "C.i. 50900", "C.i. food yellow 15", "E-101(iii)", "Ins no.101(iii)", "Ins-101(iii)", "Lacto-flavin", "Riboflavin", "Riboflavinum", "Russupteridine yellow iii", "Vitamin b-2", "Vitamin b2 (as riboflavin)", "Vitamin-b2", "INS NO. 101(I)", "NCI-0033298", "NSC-33298", "E-b2", "Freeda", "Riboflavin component of vitaped", "Vitamin b 2"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1594", "category": ["biolink:ChemicalEntity"], "name": "PANTOTHENIC ACID", "xref": ["InChIKey:GHOKWGTUZJEAQD-ZETCQYMHSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O"], "synonym": ["Pantothenic acid", "Pantothenic acid", "Pantothenic acid", "Chick antidermatitis factor", "Pantothenate", "Pantothenic acid", "Pantothenic acid (d)", "Vitamin b-5", "Vitamin b5", "Calc pantoth", "Cantopal", "Pantothenic acid component of vitaped", "Vitamin b 5"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGQUYTVPIHUFE-ZIXBUDCKSA-N", "SMILES:CCCCC/C=C\\C/C(=C\\CCCCCCCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJTHIRMZZQABBU-SBKAZOPESA-N", "SMILES:CCC(CSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRIFHIWWXQBPY-RQRWYUMJSA-N", "SMILES:CCCCCC1OC(O)CC1SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDBAPNRLUDIAS-XWLVIXLSSA-N", "SMILES:COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1[C@@H](O2)O[C@H](SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUKIKVBUXFVHNV-GGSAPFBCSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1C(SC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)CC(=O)[C@H]1C/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVSFUWLXGAPZDK-RGBJRUIASA-N", "SMILES:NC(Cc1ccc(N(CCCl)CCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074751", "category": ["biolink:ChemicalEntity"], "name": "MONOGLUTATHIONYL CHLORAMBUCIL", "xref": ["InChIKey:BQVGPQFUMPRIMA-UHFFFAOYSA-N", "SMILES:NC(CCC(=O)NC(CSCCN(CCCl)c1ccc(CCCC(=O)O)cc1)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSJYPIKEOWEIPQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N(c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084643", "category": ["biolink:ChemicalEntity"], "name": "PROSTAGLANDIN A2", "xref": ["InChIKey:MYHXHCUNDDAEOZ-FOSBLDSVSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"name": "Monocarboxylate transporter 10", "xref": ["CHEMBL.TARGET:CHEMBL2073717"], "id": "UniProtKB:Q91Y77", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379630", "category": ["biolink:ChemicalEntity"], "name": "D-PHENYLALANINE", "xref": ["InChIKey:COLNVLDHVKWLRT-MRVPVSSYSA-N", "SMILES:N[C@H](Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1234265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIFESDRCALIIM-VIFPVBQESA-N", "SMILES:CN[C@@H](Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL552941", "category": ["biolink:ChemicalEntity"], "name": "ABRINE", "xref": ["InChIKey:CZCIKBSVHDNIDH-NSHDSACASA-N", "SMILES:CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL65543", "category": ["biolink:ChemicalEntity"], "name": "ACETYL TYROSINE", "xref": ["InChIKey:CAHKINHBCWCHCF-JTQLQIEISA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL134570", "category": ["biolink:ChemicalEntity"], "name": "AFALANINE", "xref": ["InChIKey:CBQJSKKFNMDLON-UHFFFAOYSA-N", "SMILES:CC(=O)NC(Cc1ccccc1)C(=O)O"], "synonym": ["Afalanine", "Afalanina", "N-acetylphenylalanine, dl-", "NSC-43242"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL54170", "category": ["biolink:ChemicalEntity"], "name": "ACETYLTRYPTOPHAN", "xref": ["InChIKey:DZTHIGRZJZPRDV-LBPRGKRZSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL891", "category": ["biolink:ChemicalEntity"], "name": "CLOXACILLIN", "xref": ["InChIKey:LQOLIRLGBULYKD-JKIFEVAISA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O"], "synonym": ["Cloxacillin", "Cloxacillin", "Cloxacillin", "Cloxacillin", "Cloxacilline", "Cloxacilina", "Cloxacillin", "Cloxacillin", "Orbenin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1236749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGHVIOIJCVXTGV-ALEPSDHESA-N", "SMILES:CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1599", "category": ["biolink:ChemicalEntity"], "name": "CEPHAPIRIN", "xref": ["InChIKey:UQLLWWBDSUHNEB-CZUORRHYSA-N", "SMILES:CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1"], "synonym": ["Cefapirin", "Cefapirin", "Cefapirin", "Cefapirine", "Cefapirina"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL893", "category": ["biolink:ChemicalEntity"], "name": "DICLOXACILLIN", "xref": ["InChIKey:YFAGHNZHGGCZAX-JKIFEVAISA-N", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O"], "synonym": ["Dicloxacillin", "Dicloxacillin", "Dicloxacillin", "Dicloxacilline", "Dicloxacilina", "Dicloxacillin", "Dicloxacillin", "BRL-1702", "R-13423", "Dicloxacillin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201195", "category": ["biolink:ChemicalEntity"], "name": "CEFMETAZOLE", "xref": ["InChIKey:SNBUBQHDYVFSQF-HIFRSBDPSA-N", "SMILES:CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21"], "synonym": ["Cefmetazole", "Cefmetazole", "Cefmetazol", "Cefmetazole", "U-72791", "Cefmetazole", "Cefmetazole"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1615585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSHGZXNAXBPPDL-HZGVNTEJSA-N", "SMILES:CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1908324", "category": ["biolink:ChemicalEntity"], "name": "METAMPICILLIN", "xref": ["InChIKey:FZECHKJQHUVANE-MCYUEQNJSA-N", "SMILES:C=N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1"], "synonym": ["Metampicillin", "Metampicillin", "Metampicilline", "Metampicilina", "Fedacilina", "Methylenampicillin", "Micinovo", "Pravacilin", "Ruticina", "Viderpen", "NSC-758167"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL74632", "category": ["biolink:ChemicalEntity"], "name": "MOXALACTAM", "xref": ["InChIKey:JWCSIUVGFCSJCK-CAVRMKNVSA-N", "SMILES:CO[C@@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21"], "synonym": ["Latamoxef", "Latamoxef", "Latamoxef"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1619759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSLRHJIHITMCJ-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(-c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL303722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSMJQVCSZNBKCL-UHFFFAOYSA-N", "SMILES:OCC[n+]1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUMQPMKVYZEMTE-UHFFFAOYSA-N", "SMILES:CC[n+]1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1625192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRBJMGMJPXCJSU-UHFFFAOYSA-N", "SMILES:c1ccc(C[n+]2cccc(-c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1794762", "category": ["biolink:ChemicalEntity"], "name": "CYCLOHEXYLAMINE", "xref": ["InChIKey:PAFZNILMFXTMIY-UHFFFAOYSA-N", "SMILES:NC1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074896", "category": ["biolink:ChemicalEntity"], "name": "1-ethylquinolonium", "xref": ["InChIKey:CBMDQVNFHVUOIB-UHFFFAOYSA-N", "SMILES:CC[n+]1cccc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKXWFNKMYXFZTK-UHFFFAOYSA-N", "SMILES:CC[n+]1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBLABOQYMJOPQE-UHFFFAOYSA-N", "SMILES:OCC[n+]1cccc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBDHYKLHFDJIG-UHFFFAOYSA-N", "SMILES:c1ccc(C[n+]2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGNCTBFOSSNVRK-UHFFFAOYSA-N", "SMILES:C=CCC(N)c1ccccc1-c1noc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODMGQDGPVKZAH-YVITULCKSA-N", "SMILES:NC[C@H]1O[C@H](CO)[C@@H](N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZHXUMCYPFFFKR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.O=C(CCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXABUJUPZGFFHI-FCUFGPLSSA-N", "SMILES:O=C(O)/C=C(/C(=O)O)N1CCN2C[C@H](c3ccc(Cl)cc3)c3ccccc3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KILJTUTVUORPFQ-WLHGVMLRSA-N", "SMILES:O=C(O)/C=C/C(=O)O.O=C1CCCN1CCCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBRGLLAOJKNQC-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBDJWJGSTCFVGC-UHFFFAOYSA-N", "SMILES:CN1CCC(=C(c2ccc(F)cc2)c2cc(Cl)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVDILXYXZAAJOS-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1ccc(N2CCNCC2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1513985", "category": ["biolink:ChemicalEntity"], "name": "ANTHRACENE-9-CARBOXYLIC ACID", "xref": ["InChIKey:XGWFJBFNAQHLEF-UHFFFAOYSA-N", "SMILES:O=C(O)c1c2ccccc2cc2ccccc12"], "chembl_natural_product": true}
{"name": "Monocarboxylate transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL2073718"], "id": "UniProtKB:Q63344", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL173439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFYCRUFNRBZNC-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445874", "category": ["biolink:ChemicalEntity"], "name": "ADAMANTANEACETIC ACID", "xref": ["InChIKey:AOTQGWFNFTVXNQ-UHFFFAOYSA-N", "SMILES:O=C(O)CC12CC3CC(CC(C3)C1)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1609", "category": ["biolink:ChemicalEntity"], "name": "MANDELIC ACID", "xref": ["InChIKey:IWYDHOAUDWTVEP-UHFFFAOYSA-N", "SMILES:O=C(O)C(O)c1ccccc1"], "synonym": ["Mandelic acid", "Mandelic acid", "Dl-mandelic acid", "Paramandelic acid", "Racemic mandelic acid", "NSC-7925"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETHPMGVZHBAFB-OWOJBTEDSA-N", "SMILES:O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGLDCXPLYOWQRP-UHFFFAOYSA-N", "SMILES:CCCCCC#CCC#CCC#CCC#CCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL121047", "category": ["biolink:ChemicalEntity"], "name": "DIBENZYL DISULFIDE", "xref": ["InChIKey:GVPWHKZIJBODOX-UHFFFAOYSA-N", "SMILES:c1ccc(CSSCc2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1374360", "category": ["biolink:ChemicalEntity"], "name": "MERCURIC CHLORIDE", "synonym": ["Mercuric chloride", "Bichloride of mercury", "Hg ii chloride", "Mercurius corrosivus", "Mercury chloride (hgcl2)", "NSC-353255"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL107057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNJMFJSKMRYHSR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL146554", "category": ["biolink:ChemicalEntity"], "name": "2-Oxoisovalerate", "xref": ["InChIKey:QHKABHOOEWYVLI-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL379332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGBPTNZLWRQSY-UWVGGRQHSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBWVAAKKEIOROG-BQBZGAKWSA-N", "SMILES:CSCC[C@H](NC=O)C(=O)N[C@@H](C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL53400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGGUPMXALFZOT-VIFPVBQESA-N", "SMILES:NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL17171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYULLIZUDQONW-IMJSIDKUSA-N", "SMILES:N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1222161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHKXZYLNVJRAAJ-WDSKDSINSA-N", "SMILES:CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL59426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNKSNIBMTUYWSH-YFKPBYRVSA-N", "SMILES:O=C(O)CNC(=O)[C@@H]1CCCN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL420061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKAIKUBBJHFNBZ-LURJTMIESA-N", "SMILES:NCCCC[C@H](NC(=O)CN)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL91561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNRJCINZYHNOU-LURJTMIESA-N", "SMILES:NCCCC[C@H](N)C(=O)NCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBSXVUHHZXULRO-UHFFFAOYSA-N", "SMILES:CNCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUESBOMYALLFNI-VKHMYHEASA-N", "SMILES:NCC(=O)N[C@@H](CC(N)=O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTEDWFWBGPKUOD-VKHMYHEASA-N", "SMILES:N[C@@H](CC(=O)NCC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL69531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFUDSMGEYRNNC-LURJTMIESA-N", "SMILES:C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL93127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIWFXZNIBQBFHR-LURJTMIESA-N", "SMILES:NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL421171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFNSBBHKSZXKB-VKHMYHEASA-N", "SMILES:N[C@@H](CC(=O)O)C(=O)NCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL91392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCCPDJAQCXWPTF-VKHMYHEASA-N", "SMILES:NCC(=O)N[C@@H](CC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL196105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXNEWQGGVUVQA-UHFFFAOYSA-N", "SMILES:NCCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL417979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLUBLISJVJFHQS-VIFPVBQESA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL299759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHCSUXXECOXOY-NSHDSACASA-N", "SMILES:NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL55636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFWYPMDMDYCKMD-KBPBESRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL726", "category": ["biolink:ChemicalEntity"], "name": "FLUPHENAZINE", "xref": ["InChIKey:PLDUPXSUYLZYBN-UHFFFAOYSA-N", "SMILES:OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"], "synonym": ["Fluphenazine", "Fluphenazine", "Flufenazina", "Fluphenazine", "NSC-62323"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074971", "category": ["biolink:ChemicalEntity"], "name": "N-Norgallopamil", "xref": ["InChIKey:JBERDSXBGRTWOG-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNCCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1182234", "category": ["biolink:ChemicalEntity"], "name": "TETRAPHENYLPHOSPHONIUM", "xref": ["InChIKey:USFPINLPPFWTJW-UHFFFAOYSA-N", "SMILES:c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKGVHMAOQXJSZ-UHFFFAOYSA-N", "SMILES:CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCAAISMEWFDVGD-KGLIPLIRSA-N", "SMILES:CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEBPOXHHZUCJAF-UHFFFAOYSA-N", "SMILES:CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCNC(=O)c2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UATUFGOPDZIKAO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC(CCCC(=O)O)C(=O)O)ccc1N(C)Cc1cnc2nc(N)nc(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZCNWOSOHAOTMX-UHFFFAOYSA-N", "SMILES:C=CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFRXXQARDULANA-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(CN3CCSc4cc(C(=O)NC(CCC(=O)O)C(=O)O)ccc43)cnc2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUARKPWZHCNMB-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCNC(=O)c2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAWURJJTICCKSP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC(CCC(=O)O)C(=O)O)ccc1N(C)Cc1cnc2nc(N)nc(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL354055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXKVXUQXNRYHMZ-UHFFFAOYSA-N", "SMILES:CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBPTIPFFUXDOS-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC(CCC(=O)O)C(=O)O)cc2c1N(Cc1cnc3nc(N)nc(N)c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11133", "category": ["biolink:ChemicalEntity"], "name": "ISOAMINOPTERIN", "xref": ["InChIKey:LMMOSQPNZLZCQI-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQTFSNJWKMNTOK-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(CN3CCOc4cc(C(=O)NC(CCCC(=O)O)C(=O)O)ccc43)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGVSTPUFTPNBHT-HOTGVXAUSA-N", "SMILES:Nc1nc(N)c2nc(CN3CCSc4cc(C(=O)N[C@@H](CCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)ccc43)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMNDVEHSLPVMOY-UHFFFAOYSA-N", "SMILES:CC(C)CC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXBPYYVJEYRONO-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(CN3CCOc4cc(C(=O)NC(CCC(=O)O)C(=O)O)ccc43)cnc2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWGQPIYYKVSGW-UHFFFAOYSA-N", "SMILES:CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCNC(=O)c2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCJSRDBDCVROQC-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC(CCC(=O)O)C(=O)O)ccc1NCc1cnc2nc(N)nc(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNBTJBVWQVXSR-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC(CCC(=O)O)C(=O)O)cc(C)c1N(C)Cc1cnc2nc(N)nc(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OELDCURTHVZPPB-UHFFFAOYSA-N", "SMILES:CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCNC(=O)c2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZLWAWGNNSPTLK-WWNAGFPVSA-N", "SMILES:CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSUORVXGQZWOK-UHFFFAOYSA-N", "SMILES:CCC(C)C(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGPVEWGXMIJACN-CVEARBPZSA-N", "SMILES:CC(C)N(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBFRVUOTZGQNGW-XBMUEBEBSA-N", "SMILES:CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NC(CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469912", "category": ["biolink:ChemicalEntity"], "name": "PUROMYCIN", "xref": ["InChIKey:RXWNCPJZOCPEPQ-NVWDDTSBSA-N", "SMILES:COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c(N(C)C)ncnc43)O[C@@H]2CO)cc1"], "synonym": ["Puromycin", "Puromycin", "Puromycine", "Puromicina", "3123-L", "3123L", "CL 13,900", "CL-13900", "GNF-PF-2016", "P-638", "TCMDC-123493", "Puromycin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075037", "category": ["biolink:ChemicalEntity"], "name": "1-Monopalmitin", "xref": ["InChIKey:WIPYLLALIMJBSS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075038", "category": ["biolink:ChemicalEntity"], "name": "1-Monopalmitolein", "xref": ["InChIKey:KVYUBFKSKZWZSV-FPLPWBNLSA-N", "SMILES:CCCCCC/C=C\\CCCCCCCC(=O)OCC(O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL255696", "category": ["biolink:ChemicalEntity"], "name": "GLYCERYL MONOSTEARATE", "xref": ["InChIKey:VBICKXHEKHSIBG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO"], "synonym": ["Glyceryl monostearate", "Glyceryl monostearate", "Cerasynt sd", "Cerasynt-sd", "Cithrol gms 0400", "Cremophor gmsk", "Cutina gms", "Glycerides, c16-18 mono-", "Glycerol monostearate", "Glycerol stearate", "Glyceroli monostearas", "Glyceryl monopalmitostearate", "Glyceryl stearate", "Imwitor 491", "Lonzest gms", "Monoglycerides, c16-18", "Monostearin", "Nikkol mgs-a", "Sorbon mg-100", "Stearin", "Stearin, mono-", "FEMA NO. 2527"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075039", "category": ["biolink:ChemicalEntity"], "name": "1-Monoolein", "xref": ["InChIKey:CKLLUIWAABQSJZ-QXMHVHEDSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075040", "category": ["biolink:ChemicalEntity"], "name": "1-Monolinolein", "xref": ["InChIKey:WECGLUPZRHILCT-AVQMFFATSA-N", "SMILES:CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075041", "category": ["biolink:ChemicalEntity"], "name": "1-Monolinolenin", "xref": ["InChIKey:GGJRAQULURVTAJ-IUQGRGSQSA-N", "SMILES:CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC(O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1570482", "category": ["biolink:ChemicalEntity"], "name": "MONOCTANOIN COMPONENT A", "xref": ["InChIKey:GHBFNMLVSPCDGN-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)OCC(O)CO"], "synonym": ["Glycerol 1-octanoate", "Glyceryl 1-caprylate", "Glyceryl-1-caprylate", "Monoctanoin component a"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1595008", "category": ["biolink:ChemicalEntity"], "name": "MONOCTANOIN COMPONENT B", "xref": ["InChIKey:LKUNXBRZDFMZOK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)OCC(O)CO"], "synonym": ["1-decanoyl-rac-glycerol", "Decanoin, mono-", "Glyceryl 1-caprate", "Glyceryl caprate", "Glyceryl-1-caprate", "Monoctanoin component b", "Monodecanoin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL510533", "category": ["biolink:ChemicalEntity"], "name": "GLYCEROL MONOLAURATE", "xref": ["InChIKey:ARIWANIATODDMH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)OCC(O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBSHORRWZKAKO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)OCC(O)CO"], "chembl_natural_product": true}
{"name": "Solute carrier organic anion transporter family member 1C1", "xref": ["CHEMBL.TARGET:CHEMBL2073697"], "id": "UniProtKB:Q9NYB5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1732", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROERGOTAMINE", "xref": ["InChIKey:LUZRJRNZXALNLM-JGRZULCMSA-N", "SMILES:CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21"], "synonym": ["Dihydroergotamine", "Dihydroergotamine", "Dihydroergotamine", "Dihidroergotamina", "Dihydroergotamine", "9,10-dihydroergotamine", "Dihydroergotamine", "Neomigran", "MAP-0004", "MAP0004"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL119443", "category": ["biolink:ChemicalEntity"], "name": "ERGONOVINE", "xref": ["InChIKey:WVVSZNPYNCNODU-XTQGRXLLSA-N", "SMILES:C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"], "synonym": ["Ergometrine", "Ergometrine", "Ergometrina", "Ergobasine", "Ergostetrine", "Ergotocine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1385840", "category": ["biolink:ChemicalEntity"], "name": "ERGOCORNINE", "xref": ["InChIKey:UJYGDMFEEDNVBF-OGGGUQDZSA-N", "SMILES:CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL446315", "category": ["biolink:ChemicalEntity"], "name": "ERGOCRISTINE", "xref": ["InChIKey:HEFIYUQVAZFDEE-MKTPKCENSA-N", "SMILES:CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1403281", "category": ["biolink:ChemicalEntity"], "name": "ERGOCRYPTINE", "xref": ["InChIKey:YDOTUXAWKBPQJW-NSLWYYNWSA-N", "SMILES:CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL493", "category": ["biolink:ChemicalEntity"], "name": "BROMOCRIPTINE", "xref": ["InChIKey:OZVBMTJYIDMWIL-AYFBDAFISA-N", "SMILES:CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12"], "synonym": ["Bromocriptine", "Bromocriptine", "Bromocriptine", "Bromocriptine", "Bromocriptina", "Bromocriptine", "2-bromo-.alpha.-ergocryptine", "Bromergocryptine", "Bromocriptine", "Ergocryptine, 2-bromo-", "CB-154", "SANDOZ 15-754", "Parlodel", "Bromocriptine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1162484", "category": ["biolink:ChemicalEntity"], "name": "(R)-3-HYDROXYBUTANOATE", "xref": ["InChIKey:WHBMMWSBFZVSSR-GSVOUGTGSA-N", "SMILES:C[C@@H](O)CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLEJCNOTNLZCHQ-VKHMYHEASA-N", "SMILES:COC(=O)[C@H](C)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1990700", "category": ["biolink:ChemicalEntity"], "name": "R-Chloropropionate", "xref": ["InChIKey:QEYMMOKECZBKAC-UHFFFAOYSA-N", "SMILES:O=C(O)CCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFENDNXGAFYKQO-UHFFFAOYSA-N", "SMILES:CCC(O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL171246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYEYBOSBBBHJIV-UHFFFAOYSA-N", "SMILES:CCC(=O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1162497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHBMMWSBFZVSSR-VKHMYHEASA-N", "SMILES:C[C@H](O)CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1119", "category": ["biolink:ChemicalEntity"], "name": "N-DESMETHYLVENLAFAXINE", "xref": ["InChIKey:MKAFOJAJJMUXLW-UHFFFAOYSA-N", "SMILES:CNCC(c1ccc(OC)cc1)C1(O)CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL637", "category": ["biolink:ChemicalEntity"], "name": "VENLAFAXINE", "xref": ["InChIKey:PNVNVHUZROJLTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1"], "synonym": ["Venlafaxine", "Venlafaxine", "Venlafaxine", "Venlafaxine", "Venlafaxina", "Venlafaxine", "Efectin", "Kanghong", "Trevilor", "Velafax", "Venlafaxine", "Venlor", "NSC-758676", "Alventa xl", "Amphero xl", "Bonilux xl", "Depefex xl", "Efexor", "Efexor xl", "Foraven xl", "Mentaven xl", "Politid xl", "Ranfaxine xl", "Rodomel xl", "Sunveniz xl", "Tardcaps xl", "Tifaxin xl", "Tonpular xl", "Trixat xl", "Vaxalin xl", "Venaxx xl", "Venlablue xl", "Venladex xl", "Venlalic xl", "Venlaneo xl", "Vensir xl", "Vexarin xl", "Viepax", "Viepax xl", "Winfex xl"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL40733", "category": ["biolink:ChemicalEntity"], "name": "DESMETHYLSERTRALINE", "xref": ["InChIKey:SRPXSILJHWNFMK-ZBEGNZNMSA-N", "SMILES:N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1494", "category": ["biolink:ChemicalEntity"], "name": "NORFLUOXETINE", "xref": ["InChIKey:WIQRCHMSJFFONW-UHFFFAOYSA-N", "SMILES:NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074679", "category": ["biolink:ChemicalEntity"], "name": "DESMETHYLCITALOPRAM", "xref": ["InChIKey:PTJADDMMFYXMMG-LJQANCHMSA-N", "SMILES:CNCCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDYDFNKCBANTM-KVOKYKADSA-N", "SMILES:C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"], "chembl_natural_product": true}
{"name": "SLC16A10 protein", "xref": ["CHEMBL.TARGET:CHEMBL2073719"], "id": "UniProtKB:Q05BR4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQZCBSSZEAIPGQ-NLPMXTIOSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWEMVKUDQCSHGT-HJTSIMOOSA-N", "SMILES:C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMITXKRGXGRMKS-HLUDHZFRSA-N", "SMILES:C[C@]12CC[C@@H](OS(=O)(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIKZPECGCSUSBV-HMAFJQTKSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074705", "category": ["biolink:ChemicalEntity"], "name": "ANDROSTERONE ACETATE", "xref": ["InChIKey:FDCINQSOYQUNKB-XVYLQWLCSA-N", "SMILES:CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1232699", "category": ["biolink:ChemicalEntity"], "name": "FLUORESCIN", "xref": ["InChIKey:MURGITYSBWUQTI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C1c2ccc(O)cc2Oc2cc(O)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2110627", "category": ["biolink:ChemicalEntity"], "name": "TEMOCAPRIL", "xref": ["InChIKey:FIQOFIRCTOWDOW-BJLQDIEVSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@H](c2cccs2)CN(CC(=O)O)C1=O"], "synonym": ["Temocapril", "Temocapril", "Temocapril"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5316188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVVLVHFJBQEWHH-NSHRYQRRSA-N", "SMILES:O=C(O)CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1cscn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL577", "category": ["biolink:ChemicalEntity"], "name": "ENALAPRILAT ANHYDROUS", "xref": ["InChIKey:LZFZMUMEGBBDTC-QEJZJMRPSA-N", "SMILES:C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O"], "synonym": ["Enalaprilat anhydrous", "Enalaprilat anhydrous", "Enalaprilat anhydrous", "Enalaprilat anhydrous", "Enalaprilat anhydrous"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXCLBBJLWXAPCM-UHFFFAOYSA-N", "SMILES:Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O.Cl.Cl.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHBWQNPACBTBPU-FYZYNONXSA-N", "SMILES:C[C@H](N)c1ccc(N2CCC(c3nc(-c4cccc(C(F)(F)F)c4)c(-c4ccncc4)n3C)CC2)cc1.[O-][Cl+3]([O-])([O-])O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279433", "category": ["biolink:ChemicalEntity"], "name": "L-778123 FREE BASE", "xref": ["InChIKey:JNUGFGAVPBYSHF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKFKTXBGHAJQC-XDKFOQFOSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccccc3o2)CCN1[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL289498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFQABSFVYLGPM-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074647", "category": ["biolink:ChemicalEntity"], "name": "METIPRENALINE", "xref": ["InChIKey:XXCCGRRUBBGZRE-UHFFFAOYSA-N", "SMILES:COc1cc(C(O)CNC(C)C)ccc1O"], "synonym": ["Metiprenaline", "Metiprenalina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074659", "category": ["biolink:ChemicalEntity"], "name": "MEPIPERPHENIDOL BROMIDE", "xref": ["InChIKey:CALMOSBYAPVNLT-UHFFFAOYSA-M", "SMILES:CC(C)C(c1ccccc1)C(O)CC[N+]1(C)CCCCC1.[Br-]"], "synonym": ["Darstine", "Mepiperphenidol bromide", "NSC-17126"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55830", "category": ["biolink:ChemicalEntity"], "name": "TRYPTOPHAN METHYL ESTER", "xref": ["InChIKey:KCUNTYMNJVXYKZ-JTQLQIEISA-N", "SMILES:COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91153", "category": ["biolink:ChemicalEntity"], "name": "3',4'-DIMETHOXYFLAVONE", "xref": ["InChIKey:ZGHORMOOTZTQFL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL13473", "category": ["biolink:ChemicalEntity"], "name": "7,3',4'-Trimethoxyflavone", "xref": ["InChIKey:VSFZYCDPDWSYSS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWBNRYNNVFPME-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3ccc(OC)c(OC)c3)c(OC)c(=O)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL75258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNLHJJGLDWGFS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL226507", "category": ["biolink:ChemicalEntity"], "name": "SINENSETIN", "xref": ["InChIKey:LKMNXYDUQXAUCZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL575072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSJJOKAWSCMBC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(O)ccc3c(=O)c2O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWDVLIIOQGUCK-JYJNAYRXSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDSTRQDCPIBEG-FHWLQOOXSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAZSTDOUOHPLB-FHWLQOOXSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCSC)NC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC"]}
{"name": "Monocarboxylate transporter 8", "xref": ["CHEMBL.TARGET:CHEMBL2073720"], "id": "UniProtKB:Q8K1P8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1312", "category": ["biolink:ChemicalEntity"], "name": "REVERSETRIIODOTHYRONINE", "xref": ["InChIKey:HZCBWYNLGPIQRK-UHFFFAOYSA-N", "SMILES:NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"], "synonym": ["Reverse triiodothyronine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074649", "category": ["biolink:ChemicalEntity"], "name": "CREMOPHOR EL"}
{"id": "CHEMBL.COMPOUND:CHEMBL485818", "category": ["biolink:ChemicalEntity"], "name": "BAICALIN", "xref": ["InChIKey:IKIIZLYTISPENI-ZFORQUDYSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1562", "category": ["biolink:ChemicalEntity"], "name": "HOMOVANILLIC ACID", "xref": ["InChIKey:QRMZSPFSDQBLIX-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL574431", "category": ["biolink:ChemicalEntity"], "name": "SULFOBROMOPHTHALEIN", "xref": ["InChIKey:OHTXTCNTQJFRIG-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccc(O)c(S(=O)(=O)O)c2)(c2ccc(O)c(S(=O)(=O)O)c2)c2c(Br)c(Br)c(Br)c(Br)c21"], "synonym": ["Sulfobromophthalein", "Sulfobromophtalein", "Sulfobromophthalein free acid", "Sulfobromphthalein"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUVIBCJWRFUTQ-ZDUSSCGKSA-N", "SMILES:O=C(CBr)N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UARFWYDFONKXLO-UHFFFAOYSA-N", "SMILES:CCC[N+](CCC)(CCC)CCCCC(=O)O.[Cl-]"]}
{"name": "Organic anion transporter 7", "xref": ["CHEMBL.TARGET:CHEMBL2073721"], "id": "UniProtKB:Q8IVM8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLPCMKLCOHTTRD-UHFFFAOYSA-N", "SMILES:CC[N+](CC)(CC)CCCCCCC(=O)O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPKVHKUHSBOGK-UHFFFAOYSA-N", "SMILES:CC[N+](C)(CC)CCCCCCC(=O)O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMJYCLQJTGXOJK-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CCCCCCC(=O)O.[Cl-]"]}
{"name": "Solute carrier family 22 member 16", "xref": ["CHEMBL.TARGET:CHEMBL2073722"], "id": "UniProtKB:Q86VW1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHTCLLAVOBBKHK-ISCYQWKGSA-N", "SMILES:O=CNN1C(=O)c2c(c3c4cccc(O)c4n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4c(O)cccc4c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXEDBYAXQXFDHD-UHFFFAOYSA-N", "SMILES:NC(CCC(=O)NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074823", "category": ["biolink:ChemicalEntity"], "name": "TAUROCHOLATE SULFATE", "xref": ["InChIKey:LKTXOQJJFLAZRW-DDVNJCBZSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL446473", "category": ["biolink:ChemicalEntity"], "name": "PHENYLBUTYL ISOTHIOCYANATE", "xref": ["InChIKey:CCBQOLFAKKAMLD-UHFFFAOYSA-N", "SMILES:S=C=NCCCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6259", "category": ["biolink:ChemicalEntity"], "name": "DIFLOXACIN", "xref": ["InChIKey:NOCJXYPHIIZEHN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1"], "synonym": ["Difloxacin", "Difloxacin", "Difloxacine", "Difloxacino", "Dicural", "Pulsaflox", "Pulsaflox"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFVPBSJIZUVCN-UHFFFAOYSA-N", "SMILES:CC1(CCC[N+]23CCC(CC2)CC3)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074910", "category": ["biolink:ChemicalEntity"], "name": "TRIIODOTHYRONINE SULFAMATE", "xref": ["InChIKey:CUVQWWXZRPMTID-YDALLXLXSA-N", "SMILES:NS(=O)(=O)O.N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074581", "category": ["biolink:ChemicalEntity"], "name": "THYROXINE SULFATE", "xref": ["InChIKey:QYXIJUZWSSQICT-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074911", "category": ["biolink:ChemicalEntity"], "name": "THYROXINE SULFAMATE", "xref": ["InChIKey:VZIJPBFIKKZOCM-YDALLXLXSA-N", "SMILES:NS(=O)(=O)O.N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074890", "category": ["biolink:ChemicalEntity"], "name": "DIIODOTHYRONINE SULFATE", "xref": ["InChIKey:NBAZIIRGURJZJA-UHFFFAOYSA-N", "SMILES:NC(Cc1ccc(Oc2ccc(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074891", "category": ["biolink:ChemicalEntity"], "name": "REVERSE TRIIODOTHYRONINE(RT3) SULFATE", "xref": ["InChIKey:SSXICUQXINRZFT-YDALLXLXSA-N", "SMILES:N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O.O=S(=O)(O)O"], "synonym": ["reverse Triiodothyronine sulfate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXJUJDDCWHRLA-XMMPIXPASA-N", "SMILES:NS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297249", "category": ["biolink:ChemicalEntity"], "name": "APPLE JUICE", "synonym": ["Apple fruit juice", "Apple juice", "Malus domestica fruit juice", "Malus x domestica fruit juice", "Pyrus malus (apple) juice"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097", "category": ["biolink:ChemicalEntity"], "name": "ACECAINIDE", "xref": ["InChIKey:KEECCEWTUVWFCV-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1"], "synonym": ["Acecainide", "Acecainida", "Acetylprocainamide", "Acetylprocainamide, n-", "N-acetyl procainamide(<30%)", "N-acetyl-procainamide", "N-acetylnovocainamide", "N-acetylprocainamide", "N-acetylprocaine amide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074885", "category": ["biolink:ChemicalEntity"], "name": "6alpha-Glucuronosylhyodeoxycholate", "xref": ["InChIKey:MAXKTGFGXCXJFY-HHUAQUJWSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL405355", "category": ["biolink:ChemicalEntity"], "name": "NIGULDIPINE", "xref": ["InChIKey:SVJMLYUFVDMUHP-XIFFEERXSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1"], "synonym": ["Niguldipine", "Niguldipino", "(+)-niguldipine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL173809", "category": ["biolink:ChemicalEntity"], "name": "EMOPAMIL", "xref": ["InChIKey:DWAWDSVKAUWFHC-UHFFFAOYSA-N", "SMILES:CC(C)C(C#N)(CCCN(C)CCc1ccccc1)c1ccccc1"], "synonym": ["Emopamil", "Emopamilo"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074792", "category": ["biolink:ChemicalEntity"], "name": "DEVAPAMIL", "xref": ["InChIKey:VMVKIDPOEOLUFS-UHFFFAOYSA-N", "SMILES:COc1cccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)c1"], "synonym": ["Devapamil", "Devapamilo", "Desmethoxyverapamil", "D 888"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNFTWPCIRXSCQF-HVIRSNARSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](O)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZPLQIZHLIBQA-JBUARXNYSA-N", "SMILES:C=CC[C@H](CC(C)CCC)C(=O)CC(O)C(C)C1OC(=O)C2C(CCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](CC)OC)[C@@H](OC)C[C@H]2C)/C1=C\\[C@@H]1CC[C@@H](O)[C@H](OC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65067", "category": ["biolink:ChemicalEntity"], "name": "DOFEQUIDAR", "xref": ["InChIKey:KLWUUPVJTLHYIM-UHFFFAOYSA-N", "SMILES:O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2cccc3ncccc23)CC1"], "synonym": ["Dofequidar", "Dofequidar"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIBRUDXJSKHCO-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(C)NCCC=C2c3ccccc3CCc3ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXEIOBWQFIHHJM-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2nc(N(C)Cc3ccccc3)c3c(C)cccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORIMYYQBCNPPI-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2nc(N3CCc4cc(OC)c(OC)cc4C3)c3cc(N(C)C)ccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNCLXBOWSCERG-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCCc3cccc(OC)c3OC)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMZZFZYBXDSRH-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2nc(N3CCc4cc(OC)c(OC)cc4C3)c3cc(OC)c(OC)cc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1655", "category": ["biolink:ChemicalEntity"], "name": "TOREMIFENE", "xref": ["InChIKey:XFCLJVABOIYOMF-QPLCGJKRSA-N", "SMILES:CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1"], "synonym": ["Toremifene", "Toremifene", "Toremifene", "Toremifeno", "Toremifene", "Acapodene", "Chlortamoxifen", "Farestone", "Toremifene", "Toremiphene", "GTX-006", "J33.157K"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL28211", "category": ["biolink:ChemicalEntity"], "name": "NAFOXIDINE", "xref": ["InChIKey:JEYWNNAZDLFBFF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1"], "synonym": ["Nafoxidine", "Nafoxidina", "U-11000A"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2355051", "category": ["biolink:ChemicalEntity"], "name": "CLOMIPHENE", "xref": ["InChIKey:GKIRPKYJQBWNGO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1"], "synonym": ["Clomifene", "Clomifene", "Clomiphene", "Clomifene", "Clomifeno", "Clomiphene", "Clomifene", "Clomiphene"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1790017", "category": ["biolink:ChemicalEntity"], "name": "ATORVASTATIN ACID", "xref": ["InChIKey:BJGBAZAEWKCPHZ-MQSFZEHASA-N", "SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333687", "category": ["biolink:ChemicalEntity"], "name": "ATORVASTATIN LACTONE", "xref": ["InChIKey:OUCSEDFVYPBLLF-KAYWLYCHSA-N", "SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074717", "category": ["biolink:ChemicalEntity"], "name": "PROSTAGLANDIN E3", "xref": ["InChIKey:CBOMORHDRONZRN-QLOYDKTKSA-N", "SMILES:CC/C=C\\C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1342", "category": ["biolink:ChemicalEntity"], "name": "OXYBATE", "xref": ["InChIKey:SJZRECIVHVDYJC-UHFFFAOYSA-N", "SMILES:O=C(O)CCCO"], "synonym": [".gamma.-hydroxybutyrate", "Gamma hydroxybutyrate", "Gamma-hydroxybutyrate", "Oxybate"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074640", "category": ["biolink:ChemicalEntity"], "name": "ETHYL P-COUMARATE", "xref": ["InChIKey:ZOQCEVXVQCPESC-VMPITWQZSA-N", "SMILES:CCOC(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452861", "category": ["biolink:ChemicalEntity"], "name": "LEVOPROPRANOLOL", "xref": ["InChIKey:AQHHHDLHHXJYJD-AWEZNQCLSA-N", "SMILES:CC(C)NC[C@H](O)COc1cccc2ccccc12"], "synonym": ["(-)-propranolol", "Levopropranolol", "Propanolol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075025", "category": ["biolink:ChemicalEntity"], "name": "QUERCETIN PENTAPROPYL ETHER", "xref": ["InChIKey:RZGSWGXOHURAGH-UHFFFAOYSA-N", "SMILES:CCCOc1cc(O)c2c(c1)OC(c1ccc(OCCC)c(OCCC)c1)C(OCCC)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075026", "category": ["biolink:ChemicalEntity"], "name": "QUERCETIN PENTAMETHYL ETHER", "xref": ["InChIKey:YMHBIMMCQPKHPJ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(c1)OC(c1ccc(OC)c(OC)c1)C(OC)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074997", "category": ["biolink:ChemicalEntity"], "name": "QUERCETIN PENTAETHYL ETHER", "xref": ["InChIKey:QMMBOSQGNREFSP-UHFFFAOYSA-N", "SMILES:CCOc1cc(O)c2c(c1)OC(c1ccc(OCC)c(OCC)c1)C(OCC)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074998", "category": ["biolink:ChemicalEntity"], "name": "QUERCETIN PENTAALLYL ETHER", "xref": ["InChIKey:DYIMGXLGOYIJKV-UHFFFAOYSA-N", "SMILES:C=CCOc1cc(O)c2c(c1)OC(c1ccc(OCC=C)c(OCC=C)c1)C(OCC=C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73648", "category": ["biolink:ChemicalEntity"], "name": "MORIN PENTAETHYL ETHER", "xref": ["InChIKey:VLJDEZHQCGNMQN-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2oc3cc(OCC)cc(O)c3c(=O)c2OCC)c(OCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075015", "category": ["biolink:ChemicalEntity"], "name": "MORIN PENTAPROPYL ETHER", "xref": ["InChIKey:KSXLPYLSPPHSKZ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2oc3cc(OCCC)cc(O)c3c(=O)c2OCCC)c(OCCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075017", "category": ["biolink:ChemicalEntity"], "name": "MORIN PENTAMETHYL ETHER", "xref": ["InChIKey:VHQCDGLXBNYODC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075024", "category": ["biolink:ChemicalEntity"], "name": "MORIN PENTAALLYL ETHER", "xref": ["InChIKey:JHZQQSBKUSGXGA-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(-c2oc3cc(OCC=C)cc(O)c3c(=O)c2OCC=C)c(OCC=C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1149", "category": ["biolink:ChemicalEntity"], "name": "LEVOCARNITINE", "xref": ["InChIKey:PHIQHXFUZVPYII-ZCFIWIBFSA-N", "SMILES:C[N+](C)(C)C[C@H](O)CC(=O)[O-]"], "synonym": ["Levocarnitine", "Levocarnitine", "Levocarnitine", "Levocarnitine", "Levocarnitine", "Levocarnitina", "Levocarnitine", "Levocarnitine", "NSC-759132", "Carnitor", "Carnitor sf", "Levocarnitine", "Levocarnitine", "Levocarnitine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL260315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDXVEYHEODSPN-HVATVPOCSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1789635", "category": ["biolink:ChemicalEntity"], "name": "IMIDAZOLEACETIC ACID", "xref": ["InChIKey:WUJUYHMGDPTLMG-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUGKQCEGZLZNO-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c[nH]c2ccc(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1284", "category": ["biolink:ChemicalEntity"], "name": "3,4-DIHYDROXYPHENYLACETIC ACID ", "xref": ["InChIKey:CFFZDZCDUFSOFZ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(O)c(O)c1"], "synonym": ["DOPAC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3350037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQANNDTNATYII-JDBXKHNRSA-N", "SMILES:C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1790497", "category": ["biolink:ChemicalEntity"], "name": "DITEKIREN", "xref": ["InChIKey:SASWSEQJAITMKS-JJNNLWIXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1"], "synonym": ["Ditekiren", "Ditekirene", "Ditekireno", "MCMC-6317", "U-71038", "Ditekiren"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIKIZNYLMKPSL-UHFFFAOYSA-N", "SMILES:C=CC1C[N+]2(CCCCC)CCC1CC2C(O)c1ccnc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307649", "category": ["biolink:ChemicalEntity"], "name": "RIFAMYCIN B", "xref": ["InChIKey:BHDJFLBHWKKNQU-FMAVLDMNSA-N", "SMILES:COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAWNDEBHIKUWCR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C(=O)O)c(-c2c3cc(Cl)c(=O)cc-3oc3cc(O)c(Cl)cc23)c1.O=C(O)c1cccc(C(=O)O)c1-c1c2cc(Cl)c(=O)cc-2oc2cc(O)c(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235836", "category": ["biolink:ChemicalEntity"], "name": "ANTIMONY (III) ION"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074893", "category": ["biolink:ChemicalEntity"], "name": "TAUROLAGODEOXYCHOLATE", "xref": ["InChIKey:AWDRATDZQPNJFN-HNEWAPBISA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1255855", "category": ["biolink:ChemicalEntity"], "name": "OLIGOMYCIN", "xref": ["InChIKey:MNULEGDCPYONBU-AWJDAWNUSA-N", "SMILES:CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@@H]2[C@H](C)[C@H](CC1)O[C@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)[C@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERVJFDGDIPHLJ-UHFFFAOYSA-N", "SMILES:CN(CCCl)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235228", "category": ["biolink:ChemicalEntity"], "name": "PHOSPHOENOLPYRUVATE", "xref": ["InChIKey:DTBNBXWJWCWCIK-UHFFFAOYSA-N", "SMILES:C=C(OP(=O)(O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1232918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJXRIRHZLFYRP-VKHMYHEASA-N", "SMILES:O=C[C@H](O)COP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL257975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBSCHQHZLSJFNQ-VFUOTHLCSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1089962", "category": ["biolink:ChemicalEntity"], "name": "FRUCTOSE 1,6-DIPHOSPHATE", "xref": ["InChIKey:RNBGYGVWRKECFJ-ZXXMMSQZSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O"], "synonym": ["Fructose 1,6-diphosphate", "Fructose-1,6-diphosphate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQLQCAXBUHEAZ-UHFFFAOYSA-N", "SMILES:O=C(OP(=O)(O)O)C(O)COP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL19612", "category": ["biolink:ChemicalEntity"], "name": "SPERMIDINE", "xref": ["InChIKey:ATHGHQPFGPMSJY-UHFFFAOYSA-N", "SMILES:NCCCCNCCCN"], "synonym": ["Spermidine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL185073", "category": ["biolink:ChemicalEntity"], "name": "PANCURONIUM", "xref": ["InChIKey:GVEAYVLWDAFXET-XGHATYIMSA-N", "SMILES:CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1"], "synonym": ["Pancuronium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHXYWXHKLBMJKL-QBYKQQEBSA-N", "SMILES:COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.[Cl-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGOFTHODYBSGM-ZUNNJUQCSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CC(=O)CCCCC(=O)O)[C@@H](O)C[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL15594", "category": ["biolink:ChemicalEntity"], "name": "ARACHIDONIC ACID", "xref": ["InChIKey:YZXBAPSDXZZRGB-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O"], "synonym": ["Arachidonic acid", "Arachidonate", "Arachidonic acid", "Cis-5,8,11,14-eicosatetraenoic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCUHPIBMMDIRKL-VKRJBFOFSA-N", "SMILES:CCCCCCCCC/C(C)=C/CC/C=C/C(O)C(N)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQVJTLVVBJRJG-RICRECKTSA-N", "SMILES:CCCCCCCCC/C=C/CC/C=C/C(O)C(N)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQVJTLVVBJRJG-HHAKQIEWSA-N", "SMILES:CCCCCCCCC/C=C\\CC/C=C/C(O)C(N)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTGJVWBKDHFND-ZHACJKMWSA-N", "SMILES:CCCCCCCCC/C=C/CCCCC(O)C(N)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2075036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTGJVWBKDHFND-KHPPLWFESA-N", "SMILES:CCCCCCCCC/C=C\\CCCCC(O)C(N)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448741", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROSPINGOSINE", "xref": ["InChIKey:OTKJDMGTUTTYMP-ZWKOTPCHSA-N", "SMILES:CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074808", "category": ["biolink:ChemicalEntity"], "name": "MeHg-NAC"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074842", "category": ["biolink:ChemicalEntity"]}
{"name": "Solute carrier organic anion transporter family member 1A4", "xref": ["CHEMBL.TARGET:CHEMBL2073700"], "id": "UniProtKB:Q9EP96", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437472", "category": ["biolink:ChemicalEntity"], "name": "ENDOTHELIN", "xref": ["InChIKey:ZUBDGKVDJUIMQQ-UBFCDGJISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC"], "synonym": ["Endothelin", "Endothelin", "Endothelin (porcine)", "Endothelin 1 (human)", "Endothelin 1 (pig)", "Endothelin 1 (rana ridibunda)", "Endothelin 1 (rat)", "Endothelin-1", "Et 1", "Human endothelin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074920", "category": ["biolink:ChemicalEntity"], "name": "LEUKOTRIEN F4", "xref": ["InChIKey:PYSODLWHFWCFLV-MVZIKBKVSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@@H](SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O)[C@@H](O)CCCC(=O)O"], "synonym": ["Leukotriene F4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL376180", "category": ["biolink:ChemicalEntity"], "name": "AMINOPTERIN", "xref": ["InChIKey:TVZGACDUOSZQKY-LBPRGKRZSA-N", "SMILES:Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1"], "synonym": ["Aminopterin", "4-amino-pga", "4-aminofolic acid", "4-aminopteroic acid", "Aminopterin", "Aminopteroylglutamic acid", "Aminotrexate", "NSC-739", "Methotrexate related compound b"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYVDOGOHQBRZMS-QXVYJUOISA-N", "SMILES:C/C(=C\\CCC#C/C=C/C(C)C(O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/C(C)C(O)/C(C)=C/CCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCAYZENCNQZXAV-GBUQKHIGSA-N", "SMILES:C/C(=C\\CCC#C/C=C/C(C)C(O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/C(C)C(O)/C(C)=C/CCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYIOLACAZNIGK-CXWPTHPHSA-N", "SMILES:C/C(=C\\CCC#C/C=C/C(C)C(O)/C(C)=C/CCc1ccc2ccccc2c1)C(=O)NCCOCCOCCOCCOCCOCCNC(=O)/C(C)=C/CCC#C/C=C/C(C)C(O)/C(C)=C/CCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSLFQMGJUJBQJ-SANMLTNESA-N", "SMILES:COc1ccc(CCN(C)CCC[C@@]2(C#N)CCc3c2ccc(OC)c3OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSLFQMGJUJBQJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)CCCC2(C#N)CCc3c2ccc(OC)c3OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSLFQMGJUJBQJ-AREMUKBSSA-N", "SMILES:COc1ccc(CCN(C)CCC[C@]2(C#N)CCc3c2ccc(OC)c3OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201201", "category": ["biolink:ChemicalEntity"], "name": "METHAMPHETAMINE", "xref": ["InChIKey:MYWUZJCMWCOHBA-VIFPVBQESA-N", "SMILES:CN[C@@H](C)Cc1ccccc1"], "synonym": ["Metamfetamine", "Metamfetamine", "Metanfetamina", "Methamphetamine", "(s)-phenylmethylaminopropane", "Metamfetamine", "Metamphetamine", "Methamphetamine", "J6.362B", "NSC-25115"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL331320", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYLAMILORIDE", "xref": ["InChIKey:WLKVEBZQNLWJDY-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(C(=O)N=C(N)N)c(N)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074822", "category": ["biolink:ChemicalEntity"], "name": "CEFLUPRENAM", "xref": ["InChIKey:XAKKNLNAJBNLPC-MAYKBZFQSA-N", "SMILES:CC[N+](C)(C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\\OCF)c3nsc(N)n3)[C@H]2SC1)CC(N)=O"], "synonym": ["Cefluprenam"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPPJGTSPIBSYQO-YLNOTJRMSA-N", "SMILES:CC(=O)N[C@@H](CS/C(Cl)=C\\Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHEXRHIUZWUQKX-BYPYZUCNSA-N", "SMILES:CC(=O)N[C@@H](CSC(F)(F)C(Br)Br)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBVDOWVPJDLHW-UHFFFAOYSA-N", "SMILES:CCCCSCC(NC(C)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMWPQZPFBAHHMB-UHFFFAOYSA-N", "SMILES:CC(=O)NC(CSCCCO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFZXPFVUQXTHQ-VURMDHGXSA-N", "SMILES:CC(=O)NC(CS/C(Cl)=C(\\Cl)C(Cl)=C(Cl)Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDMCEGLQFSOMQH-ZETCQYMHSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPZZGVFYSPYKIA-MRXNPFEDSA-N", "SMILES:CCCCCCCCCCCCSC[C@@H](NC(C)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUHPVYZTDHQSBO-UHFFFAOYSA-N", "SMILES:CC(=O)NC(CSC(F)(F)C(F)Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2075000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSXNJGWJHTJHD-UHFFFAOYSA-N", "SMILES:CC(=O)NC(CSC(F)(F)C(Cl)Br)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRAEHUDIUJBSF-UHFFFAOYSA-N", "SMILES:C=CCSCC(NC(C)=O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRKQXQQGFYTOD-UHFFFAOYSA-N", "SMILES:CC(=O)NC(CSCCCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1020", "category": ["biolink:ChemicalEntity"], "name": "TOLMETIN", "xref": ["InChIKey:UPSPUYADGBWSHF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1"], "synonym": ["Tolmetin", "Tolmetin", "Tolmetin", "Tolmetin", "Tolmetine", "Tolmetina", "MCN-2559", "Tolmetin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL702", "category": ["biolink:ChemicalEntity"], "name": "PIPERACILLIN", "xref": ["InChIKey:IVBHGBMCVLDMKU-GXNBUGAJSA-N", "SMILES:CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O"], "synonym": ["Piperacillin", "Piperacillin", "Piperacillin", "Piperacilline", "Piperacilina", "Piperacillin hydrate", "Peracin", "Piperacillin", "Piperacillin anhydrous", "Piperacillin hydrate", "Piperacillin monohydrate", "Piperacillin, anhydrous", "Piperacillin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL509", "category": ["biolink:ChemicalEntity"], "name": "MECLOFENAMIC ACID", "xref": ["InChIKey:SBDNJUWAMKYJOX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl"], "synonym": ["Meclofenamic acid", "Meclofenamic acid", "Meclofenamic acid", "Acide meclofenamique", "Acido meclofenamico", "Meclofenamic acid", "Meclofenamate", "Meclofenamic acid", "CI-583", "CL-583", "INF 4668", "INF-4668", "NSC-95309", "Meclofenamic acid"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL522", "category": ["biolink:ChemicalEntity"], "name": "BENZYLAMINE", "xref": ["InChIKey:WGQKYBSKWIADBV-UHFFFAOYSA-N", "SMILES:NCc1ccccc1"], "synonym": ["Aminotoluene"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL288470", "category": ["biolink:ChemicalEntity"], "name": "AMINOPYRINE", "xref": ["InChIKey:RMMXTBMQSGEXHJ-UHFFFAOYSA-N", "SMILES:Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C"], "synonym": ["Aminophenazone", "Aminophenazone", "Aminofenazona", "Aminopyrine", "Aminopyrine", "4-dimethylaminoantipyrine", "Amidazophene", "Amidopyrazoline", "Brufaneuxol", "Dereuma", "Febron", "Itamidone", "Mamallet a", "Netsusarin", "NSC-4993"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL857", "category": ["biolink:ChemicalEntity"], "name": "BIOTIN", "xref": ["InChIKey:YBJHBAHKTGYVGT-ZKWXMUAHSA-N", "SMILES:O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"], "synonym": ["Biotin", "Biotin", "Biotin", "Biotine", "Biotina", "Biotin", "Biotin", "D-biotin", "Ritatin", "Vitamin b7", "MD-1003", "NSC-63865", "Bioepiderm", "Biotin 100", "Biotin component of vitaped", "Vitamin h"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2074656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPMPGJOKFUPJS-KFKWWMHDSA-M", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/c2cc(/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)cc[n+]2CCO)C(C)(C)CCC1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1492044", "category": ["biolink:ChemicalEntity"], "name": "FLUORESCEIN DIACETATE", "xref": ["InChIKey:CHADEQDQBURGHL-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEQWBZWOGRCILF-JHZZJYKESA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL52609", "category": ["biolink:ChemicalEntity"], "name": "DOXRIBTIMINE", "xref": ["InChIKey:IQFYYKKMVGJFEH-XLPZGREQSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O"], "synonym": ["Doxribtimine", "Thymidine", "2'-deoxythymidine", "Deoxyribothymidine", "Doxribtimine", "Thymidine", "Thymidinedeoxyriboside", "Thymine-2-desoxyriboside", "2'deoxythymidine", "MT1621 (dT)", "NSC-21548", "Doxribtimine component of mt-1621  2'-deoxythymidine", "Doxribtimine", "Zidovudine related compound d", "Zidovudine related compound d rs"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1556", "category": ["biolink:ChemicalEntity"], "name": "INOSINE", "xref": ["InChIKey:UGQMRVRMYYASKQ-KQYNXXCUSA-N", "SMILES:O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "synonym": ["Inosine", "Inosine", "Inosina", "Hypoxanthine riboside", "Hypoxanthosine", "Inosine", "Inotin", "INO-1001", "NSC-20262"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL546", "category": ["biolink:ChemicalEntity"], "name": "OXPRENOLOL", "xref": ["InChIKey:CEMAWMOMDPGJMB-UHFFFAOYSA-N", "SMILES:C=CCOc1ccccc1OCC(O)CNC(C)C"], "synonym": ["Oxprenolol", "Oxprenolol", "Oxprenolol"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2075011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGFLAQOJPXVRV-JRSYHJKYSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL14227", "category": ["biolink:ChemicalEntity"], "name": "BUTYRIC ACID", "xref": ["InChIKey:FERIUCNNQQJTOY-UHFFFAOYSA-N", "SMILES:CCCC(=O)O"], "synonym": ["Butyric acid", "Butanoic acid", "Butyrate", "Butyric acid", "Butyricum acidum", "N-butanoic acid", "N-butyric acid", "Normal butyric acid", "FEMA NO. 2221", "NSC-8415"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1236356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCZOTMMGHGTPH-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLAONOISLHWJEE-QWRGUYRKSA-N", "SMILES:NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHUJMSMQIPIPTF-LZQXYRQZSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBASFRIJSZCQK-FNVNOWEUSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC4=[N+]5C(=Cc6c(C)cc(C)n6[B-]5(F)F)C=C4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2369949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLPPPMHETREUNY-ATANYJJVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2C[C@H](OC(=O)[C@@H](N)CCCNC(=N)N)CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGTZNGICWXYDPR-ZJWHSJSFSA-N", "SMILES:CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJRWIHVPCKZOY-IKOGTUNBSA-N", "SMILES:COC(=O)n1cc(C[C@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2369945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMVHQFABXDTFRL-QQDPCNTGSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2C[C@@H](OC(=O)[C@H](CCCCN)N(C)C)CN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSYPJSYQOUQMN-JOWXCZTESA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O.O=S(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449317", "category": ["biolink:ChemicalEntity"], "name": "HESPERIDIN", "xref": ["InChIKey:QUQPHWDTPGMPEX-QJBIFVCTSA-N", "SMILES:COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O"], "synonym": ["Hesperidin", "NSC-31048", "Diosvein", "Hesperidin"], "chembl_natural_product": true}
{"name": "ATP-binding cassette sub-family C member 6", "xref": ["CHEMBL.TARGET:CHEMBL2073712"], "id": "UniProtKB:O88269", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHRIXECEBKBRNE-UHFFFAOYSA-N", "SMILES:CC[N+](CCCCC(=O)O)(C(C)C)C(C)C.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXKVZEBIKWHXQO-UHFFFAOYSA-N", "SMILES:CC[N+](CC)(CC)CCCCC(=O)O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STKSGQDPTZXSOU-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CCCCC(=O)O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2074820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFCXKXSMQLCRN-UHFFFAOYSA-N", "SMILES:CC[N+](CC)(CC)CC(O)CC(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234168", "category": ["biolink:ChemicalEntity"], "name": "TRIMETHYLLYSINE", "xref": ["InChIKey:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "SMILES:C[N+](C)(C)CCCC[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2074824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBYJHTYSHBBAU-YFKPBYRVSA-N", "SMILES:C[S+](C)CC[C@H](N)C(=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2030274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIOTUWWAPZEBR-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APXCVYPSILYWCO-UHFFFAOYSA-N", "SMILES:COc1c(C(=O)NC2CCN(CCO)CC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2087289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFDVKFWBLCAWOT-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccc(F)cc3F)cc2)Cc2cc(F)cc(F)c2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNGHBUUFQDBPT-LAQRGFTBSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2087138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLTRQEIZUNCSEY-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(-c2ccc(OC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL351569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCCOYAKYCWDOJ-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2[nH]1"], "chembl_natural_product": true}
{"name": "N(G),N(G)-dimethylarginine dimethylaminohydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL6036"], "id": "UniProtKB:O94760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2087646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZDKHZOMRDDRY-UHFFFAOYSA-N", "SMILES:NCCSc1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APAOWMPUWGJZFS-UHFFFAOYSA-N", "SMILES:Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKJHSDOKTVQNQ-IUCAKERBSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221186", "category": ["biolink:ChemicalEntity"], "name": "OTX-008", "xref": ["InChIKey:CQVAQQNDZCZBSU-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)COc1c2cccc1Cc1cccc(c1OCC(=O)NCCN(C)C)Cc1cccc(c1OCC(=O)NCCN(C)C)Cc1cccc(c1OCC(=O)NCCN(C)C)C2"], "synonym": ["Otx-008", "Otx008", "CALIXARENE 0118", "KM-0118", "OTX008", "PTX-008"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2087966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETRNBBNUVDOJG-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(NCc3cccc(F)c3)sc2-c2ccc3ncnn3c2)n1"]}
{"name": "TGF-beta receptor type-1", "xref": ["CHEMBL.TARGET:CHEMBL2021750"], "id": "UniProtKB:Q64729", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGZOTBUYUFBEPZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAOOGRTRWQJEK-UHFFFAOYSA-N", "SMILES:Cc1sc2nc(SC3CCCCC3)n(NS(C)(=O)=O)c(=O)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFXZAFLNXDZMCR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nn1c(Sc2ccccc2C(=O)O)nc2ccsc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRAQTDPBTGRPNB-UHFFFAOYSA-N", "SMILES:O=C1Nn2c(nc3c(sc4ccccc43)c2=O)SC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUBGUSJRFLBAK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nn1c(Sc2ccc(F)cc2F)nc2sc(-c3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWSHIEMMFHSFMA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nn1c(Sc2ccccc2C(=O)O)nc2sc(-c3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWMBGKIVYXNLO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nn1c(Sc2ccc([N+](=O)[O-])cc2)nc2sc(-c3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFQKWWGKFAWOLX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nn1c(Sc2ccccc2[N+](=O)[O-])nc2sc(-c3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL348601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLCHOQKGZQGCKW-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N(CCO)CCO)nc3c(NCc4ccc(OC)cc4)nc(N(CCO)CCO)nc23)cc1"]}
{"name": "Exopolyphosphatase PRUNE1", "xref": ["CHEMBL.TARGET:CHEMBL2079850"], "id": "UniProtKB:Q86TP1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEFLOXSFOFIPX-FGZHOGPDSA-N", "SMILES:COc1ccc(CNc2nc(N3CC[C@@H](O)C3)nc3c(NCc4ccc(OC)cc4)nc(N4CC[C@@H](O)C4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEFLOXSFOFIPX-VXKWHMMOSA-N", "SMILES:COc1ccc(CNc2nc(N3CC[C@H](O)C3)nc3c(NCc4ccc(OC)cc4)nc(N4CC[C@H](O)C4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTNCUSDNIZRWQF-PMACEKPBSA-N", "SMILES:COc1ccc(CNc2nc(NC[C@H](O)CO)nc3c(NCc4ccc(OC)cc4)nc(NC[C@H](O)CO)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTNCUSDNIZRWQF-WOJBJXKFSA-N", "SMILES:COc1ccc(CNc2nc(NC[C@@H](O)CO)nc3c(NCc4ccc(OC)cc4)nc(NC[C@@H](O)CO)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRXOSMPSSDQTQW-BIYDSLDMSA-N", "SMILES:COc1ccc(CNc2nc(N[C@@H]3CCCC[C@H]3O)nc3c(NCc4ccc(OC)cc4)nc(N[C@@H]4CCCC[C@H]4O)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTAATZBHNFULHU-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N3CCCC(CO)C3)nc3c(NCc4ccc(OC)cc4)nc(N4CCCC(CO)C4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDFELDBHYGTJR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N3CCCC(O)C3)nc3c(NCc4ccc(OC)cc4)nc(N4CCCC(O)C4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCWMZMXLYJVNIP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N3CCC(O)CC3)nc3c(NCc4ccc(OC)cc4)nc(N4CCC(O)CC4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPANBSRFBFWOW-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)ccc1C(=O)Nc1ccc2sc(CO)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2087343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTZBSMNIDRHAES-OYOASDFGSA-N", "SMILES:O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCc1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2087346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVGMEDOAWDGPP-OYOASDFGSA-N", "SMILES:O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCc1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCLXUGXHXULTIZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(COc3cccc(C(F)(F)F)c3)n2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HERBMOIYZSSPJE-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(COc3cccc(Br)c3)n2C)n(C)c1=O"]}
{"name": "cAMP-dependent protein kinase catalytic subunit PRKX", "xref": ["CHEMBL.TARGET:CHEMBL5818"], "id": "UniProtKB:P51817", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233300", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYFASUDIL", "xref": ["InChIKey:ZAVGJDAFCZAWSZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2089002", "category": ["biolink:ChemicalEntity"], "name": "DEMETHYLWEDELOLACTONE", "xref": ["InChIKey:LUTYTNLPIUCKBJ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)cc(O)c2c2oc3cc(O)c(O)cc3c12"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein kinase 32B", "xref": ["CHEMBL.TARGET:CHEMBL5912"], "id": "UniProtKB:Q9NY57", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICEFORRNJVZCHJ-FSJBWODESA-N", "SMILES:COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROAKXMPLHXUEKN-UHFFFAOYSA-N", "SMILES:Cc1sc(N)c(C(=O)c2ccccc2)c1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJZYSFNWCCUQA-UHFFFAOYSA-N", "SMILES:Cc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97453", "category": ["biolink:ChemicalEntity"], "name": "WEDELOLACTONE", "xref": ["InChIKey:XQDCKJKKMFWXGB-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2088626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIGQZJNJGIWHL-SZNDQCEHSA-N", "SMILES:COc1cc(CCCO)ccc1O[C@H](C)[C@H](O)c1cc(OC)c(OC)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL206555", "category": ["biolink:ChemicalEntity"], "name": "N-TRANS-FERULOYL TYRAMINE", "xref": ["InChIKey:NPNNKDMSXVRADT-WEVVVXLNSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2088631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMFRWRFFLBVWSI-IHWYPQMZSA-N", "SMILES:COc1cc(/C=C\\CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2087429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWPLMEAOWNLRAJ-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(CCN(C)C)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2087933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZPFCUDLPYIPO-SQZVAGKESA-N", "SMILES:CNc1ccc2nc(-c3ccc(OCC[18F])cc3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2087934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZPKXJAOXAZBEK-KVTPGWOSSA-N", "SMILES:CNc1ccc2nc(-c3ccc(OCCOCCOCC[18F])cc3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBSZVDIUIRSDG-DAFODLJHSA-N", "SMILES:Fc1ccc2c(/C=C/c3nnn[nH]3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXSLPIXNPASGZ-UHFFFAOYSA-N", "SMILES:Nc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2148077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPIGATGRUCISOI-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2c[nH]nn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2148076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYJYETZIWLNKKL-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cl)c(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2148075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEULKLHKLQOZEL-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1-c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2148074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDFMTBYKCBTSW-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1-c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXFUGJOFNXTOGO-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2148002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRINNSJFBYJGQK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2148001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTAFMWWGJROJC-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2148000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQNLLPNGLMIYRT-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJQVQXZTYHISZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCFUJBVZSWTHEG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKIPUDSZBGVQI-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPDAGXJAYJASB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(-c2c[nH]nn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPWSNUMYYPDFZ-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2c[nH]nn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZNAVHCKREIOB-UHFFFAOYSA-N", "SMILES:Brc1cc(-c2c[nH]nn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2146496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAFYICEECKVTE-UHFFFAOYSA-N", "SMILES:Clc1cc(-c2c[nH]nn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRYWQPIUCQKLN-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAYFDHFGXKGPQA-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNANQHRGHUEEFC-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL194853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQHCBHNLRWLGQS-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZVNNAOFCPPGGI-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGOGLZYZGDLNMB-UHFFFAOYSA-N", "SMILES:CCc1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVJUPJOHXUBGLQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEOJKCYXGSBQC-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJXSQXZIOTRTP-UHFFFAOYSA-N", "SMILES:Brc1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLAULFMSWJFSFA-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQRWVUQWNZHFU-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472646", "category": ["biolink:ChemicalEntity"], "name": "MORONIC ACID", "xref": ["InChIKey:UMYJVVZWBKIXQQ-QALSDZMNSA-N", "SMILES:CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1"], "synonym": ["Moronicacid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463665", "category": ["biolink:ChemicalEntity"], "name": "MOROLIC ACID", "xref": ["InChIKey:RGZSSKBTFGNUCG-VNTGHVHSSA-N", "SMILES:CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2147161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPZFEQJLLDASJG-UHFFFAOYSA-N", "SMILES:CCCC[N+](CCCC)(CCCC)CC(=O)[O-]"]}
{"name": "Intestinal-type alkaline phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL5695"], "id": "UniProtKB:P19111", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147165", "category": ["biolink:ChemicalEntity"], "name": "DALENIN", "xref": ["InChIKey:OBECBPJJXYKUJE-UHFFFAOYSA-N", "SMILES:CC1(C)C=Cc2c(cc3c(c2O)C(=O)CC(c2ccc(O)cc2O)O3)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2147278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGVJCRNDCGTBU-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCNC(=O)C(C)(C)C(=O)N1CC(=O)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187266", "category": ["biolink:ChemicalEntity"], "name": "TANSHINONE IIA", "xref": ["InChIKey:HYXITZLLTYIPOF-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL215254", "category": ["biolink:ChemicalEntity"], "name": "TANSHINONE IIB", "xref": ["InChIKey:XDUXBBDRILEIEZ-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2146517", "category": ["biolink:ChemicalEntity"], "name": "METHYL TANSHINONATE", "xref": ["InChIKey:YFDKIHAZVQFLRC-FQEVSTJZSA-N", "SMILES:COC(=O)[C@@]1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL187460", "category": ["biolink:ChemicalEntity"], "name": "CRYPTOTANSHINONE", "xref": ["InChIKey:GVKKJJOMQCNPGB-JTQLQIEISA-N", "SMILES:C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL363535", "category": ["biolink:ChemicalEntity"], "name": "TANSHINONE I", "xref": ["InChIKey:AIGAZQPHXLWMOJ-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL227075", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROTANSHINONE I", "xref": ["InChIKey:HARGZZNYNSYSGJ-JTQLQIEISA-N", "SMILES:Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)[C@@H](C)CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL45830", "category": ["biolink:ChemicalEntity"], "name": "MILTIRONE", "xref": ["InChIKey:FEFAIBOZOKSLJR-UHFFFAOYSA-N", "SMILES:CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL177126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFCLZKMFXSILNL-RVXRWRFUSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL499997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFXTKGAKYAFSI-YOWOTECTSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL249447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRZBCHWVBQOTNZ-PSEXTPKNSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O"], "synonym": ["3,5-Dicaffeoylquinicacid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL249448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFCLZKMFXSILNL-PSEXTPKNSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O)C[C@@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2146607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDYRXGIWSQSHSO-NTIKJBSISA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2146608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYABVGRAQOSDI-OCHWDWIDSA-N", "SMILES:COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2146616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBULIQRYPAVIHH-VUKKNECJSA-N", "SMILES:COCC1=C(C(=O)OCC[18F])C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3cccc(NC(C)=O)c3)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2146709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYUGZRIQEJQQOI-GSXCWMCISA-N", "SMILES:O=C(NC[C@]1(CC2CC2)CC[C@H](S(=O)(=O)c2c[nH]nn2)CC1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1358137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUIRJFQCMORRRL-UHFFFAOYSA-N", "SMILES:Cc1ccc2ccccc2c1CSc1nc(N)nc2c1ncn2CC(C)C"], "synonym": ["NSC-56452"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKWDQUKNZHRGJ-NSOVKSMOSA-N", "SMILES:CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARYZBOIUVHJGF-XKZIYDEJSA-N", "SMILES:O=C1/C(=C/c2c[nH]c3ccccc23)Oc2c1ccc(O)c2CN1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDAJELCLWMJVCO-JAIQZWGSSA-N", "SMILES:O=C1/C(=C/c2c[nH]c3ccccc23)Oc2c1ccc(O)c2CN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2146900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTVGGNSDBDOGRH-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1-n1c(C)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2146901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRQAKVNYDAVIT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1-n1nnc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGLZFSLPIMAQV-ODLFYWEKSA-N", "SMILES:COc1ccc2c(c1CN1CCNCC1)O/C(=C\\c1c[nH]c3ncccc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZMQZYRYZGLOKJ-NDENLUEZSA-N", "SMILES:COc1ccc2c(c1CN1CCNCC1)O/C(=C\\c1n[nH]c3ccccc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSOSOUAMSKGEJ-XTQCJNOUSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQANSFJXZIIAMW-MOPJNWCUSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXCBCPLCQYWRJK-SZYYTEERSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNTIBHHBLIQCLC-AOYJLJMUSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(C)C)CSSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHSNIXHHSRKOHK-UXIYSSCISA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2)CSSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTJUIPEMFFYTR-FBTLNAABSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2146494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNCMXWOQRFXVST-JOWPLRJLSA-N", "SMILES:CSCC[C@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNCMXWOQRFXVST-FBTLNAABSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2146995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWABFNOPMJQOMS-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=S)ccn1Cc1ccc(-c2ccc(F)c(F)c2)cc1"]}
{"name": "Elastase", "xref": ["CHEMBL.TARGET:CHEMBL1075146"], "id": "UniProtKB:P14756", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2146996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLXWHSSCMFPQGL-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=S)ccn1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452722", "category": ["biolink:ChemicalEntity"], "name": "HISPOLON", "xref": ["InChIKey:QDVIEIMMEUCFMW-QXYPORFMSA-N", "SMILES:CC(=O)/C=C(O)/C=C/c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2148038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UESUTKPLJQKPRL-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)nc3cc(OC)c(OC)cc23)c1"]}
{"name": "Protein CIP2A", "xref": ["CHEMBL.TARGET:CHEMBL2146355"], "id": "UniProtKB:Q8TCG1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2148041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNOFHHGOQCQNQ-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2nc(NCc3ccccc3)nc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDUYXZPSYVGWTG-WKIYQPNQSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCc2ccc(N(CCCl)CCCl)cc2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDCVGDSVHUYMA-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1c2ccccc2nc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFMFISHOUJEHOS-UHFFFAOYSA-N", "SMILES:Nc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15848", "category": ["biolink:ChemicalEntity"], "name": "ANANDAMIDE", "xref": ["InChIKey:LGEQQWMQCRIYKG-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2151436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPZQJQBRTDSJSO-AEFFLSMTSA-N", "SMILES:C=CCCC(=O)N1C[C@@H]([C@@H](C)OCCCCc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVMWCWIYITOLN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC#CC(=O)O"]}
{"name": "DNA topoisomerase type IB small subunit", "xref": ["CHEMBL.TARGET:CHEMBL2150834"], "id": "UniProtKB:Q95Z89", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5664"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRHNSLXBGRDMSP-CZAAIQMYSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNKNXDWBSNQELQ-LEOXJPRUSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTLGBVODVYUHJV-XGRCMKMKSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEQJBFSORDBIQ-VSDWSMLSSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFTTXWQZSBVGL-OREJSRFESA-N", "SMILES:C[C@H](C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O)N1Cc2cc(O)ccc2C[C@H](N)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL420311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZYTVDVLBBXDL-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1945507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCJBTWVYIQBUCM-UHFFFAOYSA-N", "SMILES:Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C"]}
{"name": "Enoyl-[acyl-carrier-protein] reductase [NADH]", "xref": ["CHEMBL.TARGET:CHEMBL2150835"], "id": "UniProtKB:Q5NGQ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:177416"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXGFNCJBKSHFH-ILXRZTDVSA-N", "SMILES:CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNDJPWSVYYRNTJ-MEXKHVBFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDOSMHAAYKBET-UTCZBAMKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)CO/N=C1\\CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152009", "category": ["biolink:ChemicalEntity"], "name": "COSMOMYCIN C", "xref": ["InChIKey:JRCMJKKALYUURJ-PPYGGUMISA-N", "SMILES:CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@@H](O[C@H]3C[C@H](O)[C@@H](O[C@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O[C@H]1C[C@H](N(C)C)[C@@H](O[C@H]2CC[C@H](O[C@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O2)[C@H](C)O1)C(=O)c1cccc(O)c1C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2151788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWOYDSCDPFSNLK-YRNVUSSQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAMKIRUZTVBZSB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWNTRHBEJZMGN-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHSNBXXGBXNBF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGVXZZBCFHOPP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZAYVKZINRVFFI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc(-c3cnccn3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDAIHJNNQUQOI-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)c2cc(-c3cnccn3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPGZSNTZPUSFU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc(-c2cnccn2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJJKGPKEJVYRNO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(-c3cnccn3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJLIXBJBVXVIBP-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc(-c3ccncn3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZITBKTUNTCAA-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)c2cc(-c3ccncn3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFJUUPRRMRPDHQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc(-c2ccncn2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWIVQDQGTQYEGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(-c3ccncn3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFAFDMOIWWTYNC-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVALPIOZOKELQW-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLMJQNQPWAGSDT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSHRZMEDDFETM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMNIHSMWPRIOBQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMMZGLVHILAUJF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTNYXONMHVSAZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc(-c2ccccn2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANMEYJWJMQNAH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVDAFRQTLZCAZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1ccccc1"]}
{"name": "Acid ceramidase", "xref": ["CHEMBL.TARGET:CHEMBL5463"], "id": "UniProtKB:Q13510", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKKWHHBZYHJFLK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDKIZBCYRASHM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQPLWMLYJICBR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEFZUEPWIMZEFF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1ccc(CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQEYCRWKPSLBSE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1ccc(CCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTNQLELDVVYMHS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRRYSHTYBKPLR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZGWUGYARDQJHW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPUSPDYHXPTBF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVRLDPRYNGFJY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCS(=O)(=O)NCC(O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGATKLXGCSPIU-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCS(=O)(=O)NCC(O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STBRHNLGHWBZFV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCS(=O)(=O)NCC(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZMZSKXPKZCOSO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCS(=O)(=O)NCC(O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKQILDBHDOUPO-NHCUHLMSSA-N", "SMILES:CCCCCCCCCCCCS(=O)(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUQJZGIGMBCLR-TZIWHRDSSA-N", "SMILES:CCCCCCCCCCCCS(=O)(=O)N[C@H](C)[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVKDREDHMMQJNA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLNPPSORXXMQL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(=O)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUSDVLHKNBOGJY-FYYLOGMGSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL429926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAZEWZHIRBZDA-NFBKMPQASA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDUJEFJFSZXPV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1cccc(OC)c1"]}
{"name": "Neutral ceramidase", "xref": ["CHEMBL.TARGET:CHEMBL2021754"], "id": "UniProtKB:Q9NR71", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBHKZPTDQKCBL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938870", "category": ["biolink:ChemicalEntity"], "name": "MK-8245", "xref": ["InChIKey:UJEAABFSXKCSGI-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1"], "synonym": ["Mk-8245"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCMJWOGOISXSDL-UHFFFAOYSA-N", "SMILES:S=C=NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRUOGLPIAPZLHJ-UHFFFAOYSA-N", "SMILES:S=C=NCCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2151313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEHXIHUIYSXZNH-UHFFFAOYSA-N", "SMILES:S=C=NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFQYAJJXFXVMM-UHFFFAOYSA-N", "SMILES:COc1ccc(CN=C=S)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2151312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCZGHPTVYEIFW-UHFFFAOYSA-N", "SMILES:S=C=NCc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHYKVRNGUYFOS-UHFFFAOYSA-N", "SMILES:S=C=NCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCJPTVZIZVKEZ-MRVPVSSYSA-N", "SMILES:C[C@@H](N=C=S)c1ccccc1"], "chembl_natural_product": true}
{"name": "Protein smoothened", "xref": ["CHEMBL.TARGET:CHEMBL6080"], "id": "UniProtKB:P56726", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKWNCRJUNWWVSK-SZQTVFEFSA-N", "SMILES:O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLBMNJSLGONIJ-ZMMOYELXSA-N", "SMILES:O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZRNXAPRPJTGOG-UHFFFAOYSA-N", "SMILES:Nc1nc2c(-c3ccccn3)nccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEJOMJUTRBOWNE-UHFFFAOYSA-N", "SMILES:Nc1nc2c(-c3cnc4ccccc4c3)nccc2[nH]1"]}
{"name": "Mitogen-activated protein kinase kinase kinase 19", "xref": ["CHEMBL.TARGET:CHEMBL6191"], "id": "UniProtKB:Q56UN5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPVFFZZDPHABN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLDBPMXIXHGBE-UHFFFAOYSA-N", "SMILES:CCCCCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBNWMVLFVQWGO-UHFFFAOYSA-N", "SMILES:CCCC(Sc1nc2ccc(OCC)cc2s1)C(=O)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKJKZTOFMLIMTB-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKKXAJDQMUZDKP-UHFFFAOYSA-N", "SMILES:CC(C)C(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSOLULMELWKRFF-UHFFFAOYSA-N", "SMILES:CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVSEGVRRFTMCD-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(SC(C)C(=O)NS(C)(=O)=O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIAFARAOHZXVAW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(OCCCC(C)(C)C(=O)NS(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKBSISADKJRKHT-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJTZVQABWKWVIS-UHFFFAOYSA-N", "SMILES:Cc1cc(C2=NN(C(=O)NC3CCCCC3)CC2C2CCCC2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTPCHTMOKOLZBA-JAIQZWGSSA-N", "SMILES:C/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCCHEOKGYJIUPO-GRSHGNNSSA-N", "SMILES:N#Cc1ccc(-c2csc(N/N=C\\c3ccncc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVOWJBQZGFFQW-UHFFFAOYSA-N", "SMILES:CCCCCCn1cc(-c2cc3ccccc3oc2=O)nn1"]}
{"name": "Nitric oxide synthase, inducible", "xref": ["CHEMBL.TARGET:CHEMBL3051"], "id": "UniProtKB:Q06518", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXEGXUSDONFRKZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1cc(-c2cc3ccccc3oc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRJURKCSWHLHZ-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2cc1-c1cn(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTRFXUYLCUXEZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1cc(-c2cc3ccccc3oc2=O)nn1"]}
{"name": "Nitric oxide synthase 3", "xref": ["CHEMBL.TARGET:CHEMBL1075230"], "id": "UniProtKB:Q62600", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7890", "category": ["biolink:ChemicalEntity"], "name": "L-NAME", "xref": ["InChIKey:KCWZGJVSDFYRIX-YFKPBYRVSA-N", "SMILES:COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]"], "synonym": ["L-name", "Ng-nitro-l-arginine methyl ester"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2159356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPSQLAAFDMNNNB-VQPYPMGFSA-N", "SMILES:O=[N+]([O-])c1nccn1/C=C/COC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"name": "Solute carrier family 2, facilitated glucose transporter member 1", "xref": ["CHEMBL.TARGET:CHEMBL2535"], "id": "UniProtKB:P11166", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYJFVLDNICSNC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(C2=NOC3CCCCC23)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOXBSUGDNAEGP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2=NOC3CCCCC23)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIAZGASCMUSPIU-WBVITSLISA-N", "SMILES:Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN(C)C)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPKQPFTXHEYSP-MXEMCNAFSA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(-c4ccccc4)cc3)cn21"]}
{"name": "Protein O-GlcNAcase", "xref": ["CHEMBL.TARGET:CHEMBL5921"], "id": "UniProtKB:O60502", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51931", "category": ["biolink:ChemicalEntity"], "name": "9,10-PHENANTHRENEQUINONE", "xref": ["InChIKey:YYVYAPXYZVYDHN-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2ccccc2-c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2158310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSOBKLEMFCAKA-GHAFJTHLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLADHAULGRRDGJ-NHFKDGGBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCAJMVTWURPZQW-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)Nc1nc(-c2ccccc2)cs1)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1505471", "category": ["biolink:ChemicalEntity"], "name": "LOMOFUNGIN", "xref": ["InChIKey:CRANETCJDDEINO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12"], "synonym": ["Lomofungin", "NSC-106995", "NSC-156939", "U-24,792", "U-24792", "Lomofungin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2159508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDJFFQZIISQJB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 47", "xref": ["CHEMBL.TARGET:CHEMBL2157851"], "id": "UniProtKB:Q96K76", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPWJSZVGNKKIJ-YBEGZINPSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCCCCC(=O)N2CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVTYNNPLFCDNS-KDWLGRJZSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCc2ccc(CCCCC(=O)N3CC[C@H]4CC[C@@H](C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)[C@@H](NC(=O)[C@H](C)NC)C3)cc2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYOZNYWYRADTNN-CTZQYXLCSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVKQLSCSCXKDY-AWEZNQCLSA-N", "SMILES:Nc1nc2[nH]c(CCCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGGIKVXYOZFJO-ZDUSSCGKSA-N", "SMILES:Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1721448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJMAWVIBBKKOB-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCCC4(CCCCC4)C3)cc2c1"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 22", "xref": ["CHEMBL.TARGET:CHEMBL2157855"], "id": "UniProtKB:P29352", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUUUIUBMYQYODQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIWOMLNVEBVEHE-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJAUCOAEKFAWHL-IMSPMDEVSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nn3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158051", "category": ["biolink:ChemicalEntity"], "name": "XEVINAPANT", "xref": ["InChIKey:LSXUTRRVVSPWDZ-MKKUMYSQSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O"], "synonym": ["Xevinapant", "At-406", "Debio 1143", "Xevinapant", "D-1143", "DEBIO-1143", "Debio 1143", "IAP INHIBITOR AT-406", "MSC2735845A", "SM-406", "Xevinapant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTARTKPFBJOKKS-SNVBAGLBSA-N", "SMILES:CCOc1cc([C@H]2CNC(=O)C2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSUWVSCBKZZHH-LLVKDONJSA-N", "SMILES:CCCOc1cc([C@H]2CNC(=O)C2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRKFSJWVCILHE-VIFPVBQESA-N", "SMILES:COc1ccc([C@@H]2CNC(=O)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRKFSJWVCILHE-SECBINFHSA-N", "SMILES:COc1ccc([C@H]2CNC(=O)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULZCLWLNCEQIA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CN2CCN(C(=S)Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNOLCLCOQBFCO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(SC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZDONRYGQBBPBK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(N4CCCCC4)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFJBSIAXYEPBX-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(Nc2nccc(-c3ccnc(-c4ccc(NC(=O)NC)cc4)c3)n2)ccc1Cl"]}
{"name": "Serine/threonine-protein kinase SMG1", "xref": ["CHEMBL.TARGET:CHEMBL1795195"], "id": "UniProtKB:Q96Q15", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEAQJJRQRSUBRY-BGAFKVJKSA-N", "SMILES:COC1=NO[C@]2(C1)C[C@H]1CC[C@@H](C2)N1C.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORHWZRYTNRFGT-QSFZDLIISA-N", "SMILES:CCOC1=NO[C@]2(C1)C[C@H]1CC[C@@H](C2)N1C.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMOHJUXDKSMQOG-NCLAQALISA-N", "SMILES:C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2158993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPOQSOYYWBGKX-PKNBQFBNSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cccc(OCCN(C)C)c2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RABKCEUOMSAKEJ-LFYBBSHMSA-N", "SMILES:CN(C)CCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOBMRUQSXWATCM-IZZDOVSWSA-N", "SMILES:CN(C)CCOc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNOATXJREXXOQL-KPKJPENVSA-N", "SMILES:CN(C)CCOc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJQJEKOZLIGAHH-CMDGGOBGSA-N", "SMILES:COc1cc(OC)c(/C=C/C(=O)c2ccc(O)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL144721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYQTUDQSJBTOJ-PKNBQFBNSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccccc2OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL141664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZFOOZDNOYRJR-JLHYYAGUSA-N", "SMILES:C=CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGUHLUSFWWBGW-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQCATYUFBGMJY-PKNBQFBNSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cccc(N(C)C)c2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBXIZCVZPJASAS-VAWYXSNFSA-N", "SMILES:COc1cc(/C=C/C(=O)c2cccc(OC(=O)c3ccccc3)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVKJYMVOSZSCN-VGOFMYFVSA-N", "SMILES:CN(C)CCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCIHDDKDVHWGO-LICLKQGHSA-N", "SMILES:CN(C)CCOc1ccc(C(=O)/C=C/c2ccc(Oc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCHTJUKVSFDMJ-FMIVXFBMSA-N", "SMILES:CN(C)CCOc1ccc(C(=O)/C=C/c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCUXQHFHMNKHKE-FMIVXFBMSA-N", "SMILES:C=CCOc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL422481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDXAOGSVMCOTJP-WEVVVXLNSA-N", "SMILES:COc1ccc(OC)c(/C=C/C(=O)c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRYQSDVBWYVDLG-BQYQJAHWSA-N", "SMILES:COc1cc(O)cc(C)c1/C=C/C(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNEYYODFMSUKGY-UXBLZVDNSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(O)cc2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2158995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWOWTCKYWIPPH-YCRREMRBSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL142493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNQYABMSQEIHT-DHZHZOJOSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2ccc(O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJCCATVSUSRCY-MDWZMJQESA-N", "SMILES:CN(C)CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2160226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQUBWCPEKBRMKW-UHFFFAOYSA-N", "SMILES:CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc(-c3oc4ccccc4c3C(=O)c3ccc(C)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2160227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVQAAQOGNZVOX-UHFFFAOYSA-N", "SMILES:CN(CCCCCCCOc1cccc(-c2oc3ccccc3c2C(=O)c2ccccc2)c1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2160228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKDUJMZXBJYTO-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)c2c(-c3cccc(OCCCCCCCN(C)Cc4ccccc4)c3)oc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBYBQDJZTXGWDU-UHFFFAOYSA-N", "SMILES:CN(CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccccc2)cc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158201", "category": ["biolink:ChemicalEntity"], "name": "MANGIFERIN HEPTASULFATE", "xref": ["InChIKey:ZAYZYKTZYDABSH-PXHCZXJWSA-N", "SMILES:O=c1c2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc2oc2cc(OS(=O)(=O)O)c([C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVTZINOFTGGCNQ-UHFFFAOYSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(CCCCN)C(=O)CN(CCc1ccc(O)cc1)C(=O)CNCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEIBHWGDHUTSL-FNZWTVRRSA-N", "SMILES:Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N(Cc1cccc(C(=O)O)c1)[C@@H](C)c1nc(-c2ccccc2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJQPWWYOFTBRP-IBUXXMJSSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@H](O)[C@H](C)O1"]}
{"name": "Fanconi anemia group D2 protein", "xref": ["CHEMBL.TARGET:CHEMBL2157857"], "id": "UniProtKB:Q9BXW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWABMHCAHSMGAB-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)Cc1ccco1)C(=O)CNCCCN1CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKSVKDCNQKGIQ-JHWLPRJASA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)N[C@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O)C(=O)CN(CCCCN)C(=O)CN(CCc1ccc(O)cc1)C(=O)CNCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUPKVSTUEPDRJK-SQXFMSHNSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N\\c1ccccc1N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRFDFFLUBPBFIQ-BCFMAQTISA-N", "SMILES:CC[C@@](O)(C(=O)NC(C)C)c1cc2n(c(=O)c1CO)Cc1c-2nc2ccccc2c1/C=N\\c1ccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1995455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPEJOQWVBDJCKB-LXNUQBGFSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N\\c1ccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSOIHFWBHOIHDY-HZOXJTBRSA-N", "SMILES:CC[C@@](O)(C(=O)NC(C)C)c1cc2n(c(=O)c1CO)Cc1c-2nc2ccccc2c1/C=N\\c1ccccc1N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOZPAZLUHXWSDR-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186141", "category": ["biolink:ChemicalEntity"], "name": "ANDROGRAPHOLIDE", "xref": ["InChIKey:BOJKULTULYSRAS-OTESTREVSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O"], "synonym": ["Andrographolide", "Andrographolide", "HMPL-004", "HMPL004", "NSC-383468", "Andrographolide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2165415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUAHYBNQWBFDPH-HKNMUYPKSA-N", "SMILES:[3H]C(CCC1(C)N=N1)c1cc(C(C)C)c(O)c(C(C)C)c1"]}
{"name": "43 kDa receptor-associated protein of the synapse", "xref": ["CHEMBL.TARGET:CHEMBL2163166"], "id": "UniProtKB:Q13702", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1966436", "category": ["biolink:ChemicalEntity"], "name": "AUSTOCYSTIN D", "xref": ["InChIKey:VXTQFTUOAJRUDO-IFMALSPDSA-N", "SMILES:CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@@]41O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2164612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPXAUBEBZRKLQ-FZYAHIAHSA-O", "SMILES:COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C.F[B-](F)(F)F"]}
{"name": "Prostaglandin E2 receptor EP3 subtype", "xref": ["CHEMBL.TARGET:CHEMBL4336"], "id": "UniProtKB:P30557", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJAQPRDMUAFMI-PEADOEQOSA-N", "SMILES:N[C@@H](CC[S+]([O-])CC[S+]([O-])CC[C@H](N)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMRZHRUHCEVKC-OBWVRJEZSA-N", "SMILES:N[C@@H](CCSCC[S+]([O-])CC[C@H](N)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHNQJJWBHCBVAA-AXDSSHIGSA-N", "SMILES:CC(C)(CCSCC[C@H](N)C(=O)O)CCC(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMONDXDFXRPNKQ-UHFFFAOYSA-N", "SMILES:NC(CCSCCCCC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2163772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOXWOPNBJDVSJP-UHFFFAOYSA-N", "SMILES:Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNHZOEHVSLIBFF-VXFCLOCWSA-N", "SMILES:CN(/N=N/c1ccc(Br)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZGHQXPSFVVVAO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYWZPXRNUHROM-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccn(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLPLSJWSHVJLP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJDXXEYRDCOVRG-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccn(-c2cccc(OC(=O)NCCOCCOc3ccc(F)cc3F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBPCGWCZOPCPU-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccn(-c2cccc(OC(=O)NCCOCCOc3ccc(F)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILOIOIGZFHGSMS-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVKGEMPZBKZOA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2noc(-c3cc(F)cc(C#N)c3)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSPCALDSNXWEP-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTSQRRQNKJNSLH-UHFFFAOYSA-N", "SMILES:O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH][nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1101", "category": ["biolink:ChemicalEntity"], "name": "BIPERIDEN", "xref": ["InChIKey:YSXKPIUOCJLQIE-UHFFFAOYSA-N", "SMILES:OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2"], "synonym": ["Biperiden", "Biperiden", "Biperidene", "Biperideno", "Biperiden", "Akineton-", "Biperiden", "Biperidenum", "KL 373", "NSC-759145"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2164073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOZMJZMLQCZSGE-AZAHPVIBSA-N", "SMILES:CCCCCCCCCCCCCCC(NC(=O)C(CCCCCCCCCCCCCC)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVCFPGXTZDVCDC-DRUJIRIJSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc2c1)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUAHGQMFYMBOHW-YKKXUYLKSA-N", "SMILES:CC(C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc2c1)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBHISZHUGXRFI-SNZVYYTPSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NNC(=O)NNC(=O)N[C@H](C(N)=O)C(C)C)cc2c1)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOHWMZXBFVEHY-DQDWUXFNSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2c1)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVRRZMTJBDMTP-HXUWFJFHSA-N", "SMILES:CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMEZAJPSLZEMQP-LJQANCHMSA-N", "SMILES:CN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL125916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRVKXZUMTITJIC-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL346692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIYPXJWKJSYBKF-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783734", "category": ["biolink:ChemicalEntity"], "name": "PIRAGLIATIN", "xref": ["InChIKey:XEANIURBPHCHMG-SWLSCSKDSA-N", "SMILES:CS(=O)(=O)c1ccc([C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl"], "synonym": ["Piragliatin", "Piragliatine", "Piragliatina", "R04389620", "R04389620\\", "RO-4389620", "RO-4389620-R1440", "RO4389620-R1440", "Piragliatin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908312", "category": ["biolink:ChemicalEntity"], "name": "MURABUTIDE", "xref": ["InChIKey:ZDSXRJABOCTJTD-HUYBTDLASA-N", "SMILES:CCCCOC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O"], "synonym": ["Murabutide", "Murabutida"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2163880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMXLMEMUXHZSLB-MAUKXSAKSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)C1=C2c3ccccc3S(=O)(=O)N2CCC1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGWGCKIGQZSSPT-WMLDXEAASA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQGUITNVHGKFJX-DOTOQJQBSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)COCCN1C(=O)c2ccccc2S1(=O)=O)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDGFXKXRWFQSY-FUHWJXTLSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)CCCCN1C(=O)c2ccccc2S1(=O)=O)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIMNNAYOYMPJBT-RDPOUHODSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYCNOCTJXDXOM-KEQINOFFSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOKRYXUMRXWEKJ-MUFAAYGBSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316446", "category": ["biolink:ChemicalEntity"], "name": "ENDOMORPHIN-1", "xref": ["InChIKey:ZEXLJFNSKAHNFH-SYKYGTKKSA-N", "SMILES:NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2164788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXITTWFVOBVMDI-FHOZSBADSA-N", "SMILES:CCO/N=C1\\C=C(C#Cc2ccccn2)CCC1[18F]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDKYYGONUSXOMP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSERLISPSDGHNH-GHXNOFRVSA-N", "SMILES:COc1cc(/C=C2\\C(=O)Nc3ccccc32)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2163554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJFISXFAMYWPSK-GDNBJRDFSA-N", "SMILES:COc1cc(/C=C2\\C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFOJPWLKCHNOJO-QINSGFPZSA-N", "SMILES:O=C1/C(=C\\c2ccccn2)c2ccccc2N1c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVGWBOLBKYZGQW-QFEZKATASA-N", "SMILES:CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\\c1cn(CC(O)CN2CCCCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJABJRMXDITREC-UQQQWYQISA-N", "SMILES:O=C1/C(=C\\c2cn(CC(O)CN3CCCCC3)c3ccccc23)c2ccccc2N1c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJYLOADDCYJFLR-APSNUPSMSA-N", "SMILES:CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\\c1c[nH]c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXXGJIMFKZHRL-UHFFFAOYSA-N", "SMILES:Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCKUAWDNUFNBB-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NETPMDDWGFTNKZ-UHFFFAOYSA-N", "SMILES:Cn1cccc1S(=O)(=O)Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCKROBNICXBFG-DEDYPNTBSA-N", "SMILES:Cn1cccc1S(=O)(=O)Cc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBUCPZGYBSEEHF-UHFFFAOYSA-N", "SMILES:Oc1cccc(Oc2ccccc2)c1"]}
{"name": "HTH-type transcriptional regulator EthR", "xref": ["CHEMBL.TARGET:CHEMBL2163179"], "id": "UniProtKB:A0R666", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:246196"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57891", "category": ["biolink:ChemicalEntity"], "name": "1-hydroxy-3-methoxybenzene", "xref": ["InChIKey:ASHGTJPOSUFTGB-UHFFFAOYSA-N", "SMILES:COc1cccc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL539165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYGVMXZJBFEMB-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(F)(F)F)cc1"], "synonym": ["SR-1C13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTCLPENRFAHENT-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCJMBSFRSSXCB-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUOFGWLJEBESHL-UHFFFAOYSA-N", "SMILES:CN(C(=O)CCl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPWQRCBEMMGDQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(NC(=O)CCl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL126900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYBXOEFTXLCKFS-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBIYZYYNHWRQMC-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHUZNDQAFGNCRQ-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOCOWKGCPPCUMT-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLUUKMWWYRMCPY-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VONWPEXRCLHKRJ-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51", "category": ["biolink:ChemicalEntity"], "name": "KETANSERIN", "xref": ["InChIKey:FPCCSQOGAWCVBH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1"], "synonym": ["Ketanserin", "Ketanserin", "Ketanserin", "Ketanserin", "Ketanserine", "Ketanserina", "Ketanserin", "Ketanserin tartrate", "Ketanserin", "Ketanserin tartrate", "Perketan", "Serepress", "KJK 945", "NSC-758959", "R 49945", "R-41,468", "R-41468", "R-49945", "Sufrexal", "Ketanserin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWKROQUZSKPIKQ-MRXNPFEDSA-N", "SMILES:CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2164336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCDKKZASRZMHC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRVRTJVCWZOQS-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccccc2N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTOYOKCLDAHHO-HNNXBMFYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cccc2c1CC[C@H](N(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBDWOKONIHBZDD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccccc2N2CCNCC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGAGGIDLKHWCSB-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccccc2N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235969", "category": ["biolink:ChemicalEntity"], "name": "SIMOCYCLINONE D8", "xref": ["InChIKey:PLEGMCYXNQPJNV-JIEXBSPMSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](C)O[C@@H](c2ccc3c(c2O)[C@@H](O)[C@]24O[C@@]2(C3=O)[C@@]2(O)C(=O)C=C(C)C[C@@]2(O)C[C@@H]4O)C[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2164121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXODPXDUIIVAF-HSZRJFAPSA-N", "SMILES:C=CCCNc1nc(NCc2csc(-c3cccs3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLNGYBUVQAEFAW-HSZRJFAPSA-N", "SMILES:C=CCCNc1nc(NCc2csc(-c3ccccc3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTSCEGKYKXESFF-LXTVHRRPSA-N", "SMILES:CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"], "chembl_natural_product": true}
{"name": "Non-lysosomal glucosylceramidase", "xref": ["CHEMBL.TARGET:CHEMBL5614"], "id": "UniProtKB:Q69ZF3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSWGVOKCOVUZME-LTHXJSSOSA-N", "SMILES:CCCCCCCCCN(CCCCCCCCC)[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQRRHXIFUJNNT-NNFXLSMMSA-N", "SMILES:CCCCCCCCCO[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPEXWAJKACHIOK-DUDGHPDOSA-N", "SMILES:CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGFZVCHMVQCCM-LVEMJGIGSA-N", "SMILES:CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPEXWAJKACHIOK-WNNFBNMLSA-N", "SMILES:CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGFZVCHMVQCCM-QDDAAPFESA-N", "SMILES:CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUOIFMDWWWFLMP-UCCAYHTDSA-N", "SMILES:CCCCCCCCCN[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUOIFMDWWWFLMP-ITFWNDTMSA-N", "SMILES:CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZJNJPAVPZHJM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQXEGKAFBEKSG-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPLXDDYGOFQUNX-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc2c(Oc3ccc(N)cc3)ncnc21"]}
{"name": "Luciferin 4-monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL5567"], "id": "UniProtKB:P08659", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7054"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2069573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYEODKODWNEGOD-FQEVSTJZSA-N", "SMILES:O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1cscn1"]}
{"name": "Probable G-protein coupled receptor 142", "xref": ["CHEMBL.TARGET:CHEMBL2069161"], "id": "UniProtKB:Q7Z601", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBRGXFKSEDHMJX-KRWDZBQOSA-N", "SMILES:O=C(Nc1nnc(-c2ccncc2)s1)[C@H](Cc1ccccc1)NCc1cscn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOUGMPFYANZMI-INIZCTEOSA-N", "SMILES:CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCBFFULMXDMKEY-WVJGBFKCSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRFMCXIPTFLUCM-GOTSBHOMSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHQTYCQQMPHAMD-YRCZKMHPSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHVYYJGFOAKRPP-DZUOILHNSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZZVMJPVWHHEJ-KRWDZBQOSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVLNQXPBPJKEB-ORYMTKCHSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWGWQXYERIAGRG-UHFFFAOYSA-N", "SMILES:CCCCCC1CC(=O)c2cc(Cl)cc(Br)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL153479", "category": ["biolink:ChemicalEntity"], "name": "AMBROXOL", "xref": ["InChIKey:JBDGDEWWOUBZPM-XYPYZODXSA-N", "SMILES:Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1"], "synonym": ["Ambroxol", "Ambroxol", "Ambroxol", "Tabcin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2164031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMIDHGCFLZJGW-BDHVOXNPSA-N", "SMILES:OCCCCCCCCCCCCCCCCSC1=N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWSPMKNGHLWENL-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVLWLIQMAPJNGO-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(C(C)C)c2)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRPOVLDYXOPKA-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(C(C)CC)c2)cc1C(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEMJHNZTOTWBSN-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(Cc3ccccc3)c2)cc1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYXXAJHIGNZSK-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2ccc(OCC(=O)O)c(C(C)C)c2)ccc1OCCN(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNQMEHHNBWNQDG-UHFFFAOYSA-N", "SMILES:CCC(C)c1cc(-c2ccc(OCC(=O)O)c(C(C)CC)c2)ccc1OCCN(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUDUPKBNLRWCM-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(-c2ccc(OCC(=O)O)c(Cc3ccccc3)c2)cc1Cc1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZMUEFKIUWDPV-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(-c2ccc(OCC(=O)O)c(C(C)(C)C)c2)cc1C(C)(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CATQOQXTKPGVHZ-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(-c2ccc(OCC(=O)O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHXGPCKJGGSNRA-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPFILPCGIWGAGV-QFEZKATASA-N", "SMILES:COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\\c1ccc(-c2cc3ccccc3[nH]2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJDIRFYUCDVZPF-YVLHZVERSA-N", "SMILES:COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWHOLNDAGSQAT-MFOYZWKCSA-N", "SMILES:COC1=CC(c2cc3cc(Br)ccc3[nH]2)=N/C1=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVOZZZLKJKCCD-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2169993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZJNJPAVPZHJM-YZRHJBSPSA-N", "SMILES:COc1cc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)c2ccccc2)ccc1O[14CH3]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKVVCDWNBLQHQ-UHFFFAOYSA-N", "SMILES:CCCCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDOBXWSLLJYUGD-FYWRMAATSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCCNc2c3c(nc4ccccc24)CCCC3)ccc1OCCCO[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CETAOJVLFMUWJB-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1ccc(N2CCCC(NC(=O)c3ccc[nH]3)C2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQILMPUTAKOOX-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1ccc(N2CCC(NC(=O)c3ccc[nH]3)CC2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJJGKPQMUFNJJ-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1ccc(N2CCC(NC(=O)c3ccc[nH]3)C2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVNJYDAFWFMGM-UKOKCHKQSA-N", "SMILES:C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVNJYDAFWFMGM-HQPOOZHGSA-N", "SMILES:C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLURONSHRPPLOO-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=N)Nc1ccc2cc3ccc(NC(=N)NCCCCCC)cc3nc2c1.Cl.Cl.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMSIVXANXOHIP-UHFFFAOYSA-N", "SMILES:CCCCCNC(=N)Nc1ccc2cc3ccc(NC(=N)NCCCCC)cc3nc2c1.Cl.Cl.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZVDNNLYRZKIHM-UHFFFAOYSA-N", "SMILES:CCCCNC(=N)Nc1ccc2cc3ccc(NC(=N)NCCCC)cc3nc2c1.Cl.Cl.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVHVCGYGGYRTPT-UHFFFAOYSA-N", "SMILES:CCCNC(=N)Nc1ccc2cc3ccc(NC(=N)NCCC)cc3nc2c1.Cl.Cl.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORAZJHUYXRBKNB-UHFFFAOYSA-N", "SMILES:CCNC(=N)Nc1ccc2cc3ccc(NC(=N)NCC)cc3nc2c1.Cl.Cl.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPTRWTPRXZSACO-ARJAWSKDSA-N", "SMILES:CC/C=C\\CCCCCCCCCCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQHEVHMLSWZRR-UHFFFAOYSA-N", "SMILES:COc1cccc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTOLGLQYKWARIE-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(-c2ccccc2)n(C(=O)c2ccc(Cl)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAOCNSFMKXJLV-UHFFFAOYSA-N", "SMILES:CCc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAWQNKAJQQKDTD-UHFFFAOYSA-N", "SMILES:COc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1"]}
{"name": "Bile salt-activated lipase", "xref": ["CHEMBL.TARGET:CHEMBL3219"], "id": "UniProtKB:P19835", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pancreatic lipase-related protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2169728"], "id": "UniProtKB:P54317", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pancreatic lipase-related protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2169729"], "id": "UniProtKB:P81139", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"name": "Gastric triacylglycerol lipase", "xref": ["CHEMBL.TARGET:CHEMBL2169727"], "id": "UniProtKB:P80035", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKCIFSNRAIAJM-UHFFFAOYSA-N", "SMILES:COc1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGGMBSSOOVGAE-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc(N)c3c(-c4ccc5c(c4)CCN5C(=O)Cc4ccccc4)csc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDDOAWIHYNTOI-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccnc2)c2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIXVRXARNAVBTC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21"], "synonym": ["GSK2606414"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1704625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVZPJBKUFRREQC-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTADGXGGNIAKDM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(NC(=O)c2cccc3ccccc23)c1)c1ccc(O)c(NC(=O)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454246", "category": ["biolink:ChemicalEntity"], "name": "REDIOCIDE A", "xref": ["InChIKey:ZAVYYYQORHVVFN-BDGVIKSFSA-N", "SMILES:CC(C)CC(=O)O[C@H]1/C=C/C=C/C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(c6ccccc6)O[C@@H]([C@@H](C)[C@@]23O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2172023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLIFMNUXGDHTRO-HNNXBMFYSA-N", "SMILES:Cc1noc(-c2ccc(CSCCC(=O)O)cc2)c1NC(=O)O[C@@H](C)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLIFMNUXGDHTRO-OAHLLOKOSA-N", "SMILES:Cc1noc(-c2ccc(CSCCC(=O)O)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLIFMNUXGDHTRO-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(CSCCC(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3145341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGLFHJMXJUSDG-HNNXBMFYSA-N", "SMILES:Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2ccccc2F)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIPCUWCLMUBIQX-UHFFFAOYSA-N", "SMILES:O=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMHYUAQYLJKMP-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cccc(COc2nc(N)nc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZYZDBZLSSRIBX-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1cccc(COc2nc(N)nc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396848", "category": ["biolink:ChemicalEntity"], "name": "MACROCARPAL B", "xref": ["InChIKey:IBLPTYJTKWQCDX-NGLILROZSA-N", "SMILES:CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL396609", "category": ["biolink:ChemicalEntity"], "name": "MACROCARPAL A", "xref": ["InChIKey:IBLPTYJTKWQCDX-MOTAWSDJSA-N", "SMILES:CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2171206", "category": ["biolink:ChemicalEntity"], "name": "EUCALYPTIN A", "xref": ["InChIKey:FIAVDQNPFGKTBO-WQHFGFHISA-N", "SMILES:CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C[C@@]2(C)CC[C@@H]3[C@@H]2[C@H]2[C@@H](CC[C@@]3(C)O)C2(C)C)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2172192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHVVPMVMKPMDFR-UHFFFAOYSA-N", "SMILES:CNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCN(C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURDQIPCARKCCD-UNOMPAQXSA-N", "SMILES:COc1cc(/C=C2\\C(=O)N(c3cccc([N+](=O)[O-])c3)N=C2c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYSMNZWLVJYABK-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQQAASOQCCEOB-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1N(C)C1c3[nH]c4ccccc4c3CCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMALHYQZYSYMU-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPANHQUQZMGGSB-UHFFFAOYSA-N", "SMILES:CN1c2ccc(Cl)cc2C(=O)N2CCc3c([nH]c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMRPVURQRIKJZ-UHFFFAOYSA-N", "SMILES:CN1c2ccc(O)cc2C(=O)N2CCc3c([nH]c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYCMCVWWVNOOP-UHFFFAOYSA-N", "SMILES:CN1c2cccc(O)c2C(=O)N2CCc3c([nH]c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXTYEKQWKIPSL-UHFFFAOYSA-N", "SMILES:CN1c2ccc(N)cc2C(=O)N2CCc3c([nH]c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLPWVVCBUWODOH-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAVRQBIQRYEIEJ-UHFFFAOYSA-N", "SMILES:CN1c2ccc(Cl)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMFSLFXNJPMLPH-UHFFFAOYSA-N", "SMILES:CN1c2ccc(O)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYJASAMSXVTKAE-UHFFFAOYSA-N", "SMILES:CN1c2cccc(O)c2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHQVEYNRLUUKN-UHFFFAOYSA-N", "SMILES:CN1c2ccc(N)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPYSIUAVXUUKD-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4c(Cl)cccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWWYXLPFLMSDT-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(N)ccc2N(C)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYOPSPVHBQTNY-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(I)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486598", "category": ["biolink:ChemicalEntity"], "name": "EVODIAMINE", "xref": ["InChIKey:TXDUTHBFYKGSAH-GOSISDBHSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2172315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYCQQBRSRIFII-JAQLMMITSA-N", "SMILES:CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3cc(F)cc(F)c3)[nH]c3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTUJEXAPHIEIM-FEGDYQJNSA-N", "SMILES:CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUHFWUHWTBORMD-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2ccc(N3C(=O)c4ccc(N(C)C)cc4C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJCQFGVSEHARMP-JROKEQKYSA-N", "SMILES:COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCC2(C)C(/C=C/C=C/C=C3\\N(CCCS(=O)(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=[N+](CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc32)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDUHYJPNRGFMT-UHFFFAOYSA-N", "SMILES:CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMQLMAEKUSCKI-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCc3cc(OC)ccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQAKRRBJIQTTD-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCc3cc4c(cc3C2)OCO4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUWTQHVUUOVTH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCN(CCc1ccc(F)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYYZFQPHCFWJB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN(CCc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQLWHPMAMUBLNG-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJPVOODRJHZQU-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCc3cc(O)c(OC)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDILQLRTSMQNGO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCN(CCc1ccccc1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBQKQGNURXANPO-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCN2CCc3cc(O)ccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPVSFOVECLZPH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCN(CCc1ccc(OC)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYHOSURPOZRNRC-UHFFFAOYSA-N", "SMILES:COc1cccc(CCN2CCc3cc(O)c(OC)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSADJCFDAIMHMX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCN(CCc1ccc(Cl)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWRXOPFOPGXZKZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCNCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWHLHQCEFYQKX-UHFFFAOYSA-N", "SMILES:Clc1cccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCNCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVDTGHCDXXKII-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(C(Nc3ccnc4cc(Cl)ccc34)c3ccc(Cl)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQQCLOGRBFIBC-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccccc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCHBJBURBGLXHZ-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccccc1Oc1ccccc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092023", "category": ["biolink:ChemicalEntity"], "name": "EOSIN_Y", "xref": ["InChIKey:ALEBXIVUPOFTTQ-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cc2c(-c3ccccc3C(=O)O)c3cc(Br)c(=O)c(Br)c-3oc2c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1628233", "category": ["biolink:ChemicalEntity"], "name": "FLUORESCEIN SODIUM", "xref": ["InChIKey:NJDNXYGOVLYJHP-UHFFFAOYSA-L", "SMILES:O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc([O-])ccc12.[Na+].[Na+]"], "synonym": ["Fluorescein sodium", "Fluorescein sodium", "Fluorescein disodium salt", "Acid yellow 73 sodium salt", "C.i. 45350", "C.i. acid yellow 73", "Ci 45350", "Fluorescein sodium", "Fluorescein, disodium salt", "Fluoresceinum natricum", "Ki202", "Ki202(1)", "Ki202(2)", "Resorcinol phthalein sodium", "Soluble fluorescein", "Uranine", "Uranine wss", "Yellow 8", "Fluor-amps", "Fluorescite", "Fluorets", "Funduscein-25", "Retinofluor"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2169951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLIXLQXXVQGEH-AAAIIBCSSA-N", "SMILES:COC(=O)CC1CCN(C(C#CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c2ccc(C3(C(F)(F)F)N=N3)cc2)C(c2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2169952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVXLOAFTFDPCPK-LTDRVIOCSA-N", "SMILES:O=C(O)CC1CCN(C(C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c2ccc(C3(C(F)(F)F)N=N3)cc2)C(c2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CASUOFRPUDPLQN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRPSJCQMWFTDD-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCCCC(=O)Nc1ccc(OCc2cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQNWNPAZSAOHFR-OOSBRSMWSA-N", "SMILES:Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)CNCc3ccc(O)c4ccccc34)C[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZIHEXHPIHHAQ-OBMOGGBGSA-N", "SMILES:Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)CNCc3ccc(O)c(F)c3)C[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOSGBTIUAVXGTR-WWIHDFJWSA-N", "SMILES:Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)CNCc3ccc(CO)cc3)C[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJWUSMYDQXICMB-FKQPOWTQSA-N", "SMILES:Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)CNCc3ccc(O)cc3)C[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACPZBUVEBGCNP-DKGPUHFJSA-N", "SMILES:Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)Cn3cnc(N)c4ncnc3-4)C[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454568", "category": ["biolink:ChemicalEntity"], "name": "MYXOTHIAZOL", "xref": ["InChIKey:XKTFQMCPGMTBMD-FYHMSGCOSA-N", "SMILES:CO/C(=C/C(N)=O)[C@H](C)[C@H](/C=C/c1csc(-c2csc([C@@H](C)/C=C/C=C/C(C)C)n2)n1)OC"], "chembl_natural_product": true}
{"name": "Cytochrome b", "xref": ["CHEMBL.TARGET:CHEMBL4296317"], "id": "UniProtKB:P00163", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMROPZMGAOICAF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1"]}
{"name": "Islet amyloid polypeptide", "xref": ["CHEMBL.TARGET:CHEMBL1914266"], "id": "UniProtKB:P10997", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome b", "xref": ["CHEMBL.TARGET:CHEMBL4296307"], "id": "UniProtKB:P0C8L0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDYOOGTVDDMEE-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2179141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPWBBDBUKHMRO-LPHFKDDMSA-N", "SMILES:Oc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3O)c(O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173475", "category": ["biolink:ChemicalEntity"], "name": "QUERCETIN DIHYDRATE", "xref": ["InChIKey:OKXFBEYCJRMINR-UHFFFAOYSA-N", "SMILES:O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAANDCJTWJPLV-VXMGAWDISA-N", "SMILES:COC(=O)c1cccc(CNc2ccc(NC(=O)Nc3ccc(NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZUSXOUPLZPIHW-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C(N)=O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2177429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBCNEJFPFPEMEX-HNNXBMFYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLUKRPQSNNZJT-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)C4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1603014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWHNNUEAIMNRP-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1"]}
{"name": "Transcription factor SOX-5", "xref": ["CHEMBL.TARGET:CHEMBL2176780"], "id": "UniProtKB:P35710", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Inactive tyrosine-protein kinase transmembrane receptor ROR1", "xref": ["CHEMBL.TARGET:CHEMBL2176781"], "id": "UniProtKB:Q9Z139", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "26S proteasome non-ATPase regulatory subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL2176782"], "id": "UniProtKB:O88761", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Multiple PDZ domain protein", "xref": ["CHEMBL.TARGET:CHEMBL2176783"], "id": "UniProtKB:Q8VBX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Serine/threonine-protein kinase MAK", "xref": ["CHEMBL.TARGET:CHEMBL2176784"], "id": "UniProtKB:Q04859", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Importin-7", "xref": ["CHEMBL.TARGET:CHEMBL2176785"], "id": "UniProtKB:Q9EPL8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Kalirin", "xref": ["CHEMBL.TARGET:CHEMBL2176786"], "id": "UniProtKB:P97924", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Dynactin subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL2176787"], "id": "UniProtKB:O08788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Cardiotrophin-like cytokine factor 1", "xref": ["CHEMBL.TARGET:CHEMBL2176788"], "id": "UniProtKB:Q9QZM3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Dystonin", "xref": ["CHEMBL.TARGET:CHEMBL2176789"], "id": "UniProtKB:Q91ZU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Afadin- and alpha-actinin-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL2176790"], "id": "UniProtKB:Q8CGZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Trace amine-associated receptor 7b", "xref": ["CHEMBL.TARGET:CHEMBL2176792"], "id": "UniProtKB:Q5QD11", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Sodium-dependent multivitamin transporter", "xref": ["CHEMBL.TARGET:CHEMBL2176793"], "id": "UniProtKB:O70247", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "H(+)/Cl(-) exchange transporter 6", "xref": ["CHEMBL.TARGET:CHEMBL2176794"], "id": "UniProtKB:O35454", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Protein-tyrosine kinase 2-beta", "xref": ["CHEMBL.TARGET:CHEMBL1075222"], "id": "UniProtKB:P70600", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "ATP synthase subunit alpha, mitochondrial", "synonym": ["ATP synthase F(1) complex subunit alpha, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL2176795"], "id": "UniProtKB:P15999", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "ATP synthase subunit beta, mitochondrial", "synonym": ["ATP synthase F(1) complex catalytic subunit beta, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL2176796"], "id": "UniProtKB:P10719", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Serine/threonine-protein kinase WNK1", "xref": ["CHEMBL.TARGET:CHEMBL2176799"], "id": "UniProtKB:P83741", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Endoplasmic reticulum membrane adapter protein XK", "xref": ["CHEMBL.TARGET:CHEMBL2176802"], "id": "UniProtKB:Q9QXY7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ras/Rap GTPase-activating protein SynGAP", "xref": ["CHEMBL.TARGET:CHEMBL2176804"], "id": "UniProtKB:Q9QUH6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "PX domain-containing protein kinase-like protein", "xref": ["CHEMBL.TARGET:CHEMBL2176805"], "id": "UniProtKB:Q4FZZ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Neurofibromin", "xref": ["CHEMBL.TARGET:CHEMBL2176807"], "id": "UniProtKB:Q04690", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Hemopexin", "xref": ["CHEMBL.TARGET:CHEMBL2176811"], "id": "UniProtKB:P20059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Creatine kinase B-type", "xref": ["CHEMBL.TARGET:CHEMBL2176812"], "id": "UniProtKB:P07335", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZYHXFCSTOMZNZ-LICLKQGHSA-N", "SMILES:COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)O)cc5)CCC4)cc3n2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGYIBDXSUNKMV-AWDFDDCISA-N", "SMILES:O=c1sc2cc(CCC[18F])ccc2n1CCN1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOKSWYLNZZRQPF-BXKNQVALSA-N", "SMILES:[3H]c1cc2c(c([3H])c1O)[C@@]1(C)CCN(CC=C(C)C)[C@@H](C2)[C@H]1C"]}
{"name": "Trace amine-associated receptor 7b", "xref": ["CHEMBL.TARGET:CHEMBL2176813"], "id": "UniProtKB:Q923X8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Interleukin-12 subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL2176814"], "id": "UniProtKB:P43432", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Aspartate aminotransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2351"], "id": "UniProtKB:P00507", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Phosphoglycerate kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL2176815"], "id": "UniProtKB:P16617", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Cyclin-dependent kinase 7", "xref": ["CHEMBL.TARGET:CHEMBL2176816"], "id": "UniProtKB:Q03147", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Protein kinase C and casein kinase substrate in neurons protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2176817"], "id": "UniProtKB:Q9WVE8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Hepatocyte nuclear factor 6", "xref": ["CHEMBL.TARGET:CHEMBL2176818"], "id": "UniProtKB:O08755", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Kinesin light chain 1", "xref": ["CHEMBL.TARGET:CHEMBL2176819"], "id": "UniProtKB:P37285", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Norrin", "xref": ["CHEMBL.TARGET:CHEMBL2176820"], "id": "UniProtKB:P48744", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1061", "category": ["biolink:ChemicalEntity"], "name": "GLITAZONE", "xref": ["InChIKey:NKOHRVBBQISBSB-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(Cc2ccc(O)cc2)S1"]}
{"name": "Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176821"], "id": "UniProtKB:Q9WVK7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176822"], "id": "UniProtKB:Q9D2G2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176823"], "id": "UniProtKB:P26284", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "L-lactate dehydrogenase A chain", "xref": ["CHEMBL.TARGET:CHEMBL2176824"], "id": "UniProtKB:P04642", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Short-chain specific acyl-CoA dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176825"], "id": "UniProtKB:P15651", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Dihydrolipoyl dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176826"], "id": "UniProtKB:O08749", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Malate dehydrogenase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL2176827"], "id": "UniProtKB:P14152", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Medium-chain specific acyl-CoA dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176828"], "id": "UniProtKB:P08503", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Isocitrate dehydrogenase [NADP], mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176829"], "id": "UniProtKB:P54071", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Very long-chain specific acyl-CoA dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176830"], "id": "UniProtKB:P45953", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "2-oxoglutarate dehydrogenase complex component E1", "xref": ["CHEMBL.TARGET:CHEMBL2176831"], "id": "UniProtKB:Q60597", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Glyceraldehyde-3-phosphate dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL2176832"], "id": "UniProtKB:P04797", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Glutamate dehydrogenase 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176833"], "id": "UniProtKB:P10860", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "L-lactate dehydrogenase B chain", "xref": ["CHEMBL.TARGET:CHEMBL2176834"], "id": "UniProtKB:P42123", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Malate dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176835"], "id": "UniProtKB:P04636", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Long-chain specific acyl-CoA dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2176836"], "id": "UniProtKB:P15650", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAVHNCONOGDLW-UHFFFAOYSA-N", "SMILES:O=C(CCc1c[nH]c2ccc(Br)cc12)NCCSSCCNC(=O)CCc1c[nH]c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKQWPNUVXVJSKO-DKKRNIPZSA-N", "SMILES:CO/N=C(\\Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKGXBQCDDGRQF-IENBMRAWSA-N", "SMILES:Cn1cc(C/C(=N\\O)C(=O)NCCSSCCNC(=O)/C(Cc2cn(C)c3ccc(Br)cc23)=N/O)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUOUSUHDWLGDR-MNQMGTDHSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)=N/O)/C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEUHAKGBTXORPE-BCEWYCLDSA-N", "SMILES:COc1ccc2[nH]cc(C/C(=N\\O)C(=O)NCCSSCCNC(=O)/C(Cc3c[nH]c4ccc(OC)cc34)=N/O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFUNRDUIVICJZ-IENBMRAWSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(I)cc12)=N/O)/C(Cc1c[nH]c2ccc(I)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIALQZFCNGGZIC-IENBMRAWSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Cl)cc12)=N/O)/C(Cc1c[nH]c2ccc(Cl)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKTFGHINWYPJFD-IENBMRAWSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(F)cc12)=N/O)/C(Cc1c[nH]c2ccc(F)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANLRLNSAJRNNX-VZEYGSQTSA-L", "SMILES:[BH3-][P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(SC)nc32)[C@H](O)[C@@H]1O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEHIZKIENTWGCN-UHFFFAOYSA-N", "SMILES:N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEWKOGAMDPEMTQ-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)SCCCN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHGNDKMTXBEKIJ-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)SCCCCN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3217220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOGJKIYNCOUJFT-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNAPWBMVUVMOE-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHYKRXHOEDBTOH-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2182009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQSEWGBFRDCSI-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)SCCN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSBHDTPIFLEPGY-GKTGUEEDSA-N", "SMILES:CNc1ccc(-c2nc3ccc(OCC[18F])cc3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIROMSDKGSBFPQ-LRFGSCOBSA-N", "SMILES:CNc1ccc(-c2nc3ccc(OCCOCCOCC[18F])cc3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRMIWNVKMPWHC-GKTGUEEDSA-N", "SMILES:CNc1ccc(-c2nc3cc(OCC[18F])ccc3o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZOFXENTMWJTRV-LRFGSCOBSA-N", "SMILES:CNc1ccc(-c2nc3cc(OCCOCCOCC[18F])ccc3o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMFAQGRFMHTGK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cccc(CNC(=N)N)c2)cc1"]}
{"name": "Cell division protein FtsZ", "xref": ["CHEMBL.TARGET:CHEMBL3999"], "id": "UniProtKB:P0A9A6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXJDFAJJRAMNV-YDWXAUTNSA-N", "SMILES:CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMKMYQUNLPDCNP-YDWXAUTNSA-N", "SMILES:CN(C)c1ccc(/C=C/c2cnc(/C=C/c3ccc(N(C)C)cc3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLBPPDMTTFXKOO-UVLVGVAHSA-N", "SMILES:CN(C)c1ccc(/C=C/c2cc(-c3ccccc3F)c(/C=C/c3ccc(N(C)C)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKVNKADOOBWLCG-SQTOABILSA-N", "SMILES:COc1ccc(-c2cc(/C=C/c3ccc(N(C)C)cc3)nnc2/C=C/c2ccc(N(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RREMHAOEYOLRNJ-SQIWNDBBSA-N", "SMILES:Cn1cccc1/C=C/c1cc(-c2ccccc2)c(/C=C/c2cccn2C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJKVYBWVKVZHHX-IRWMSUPXSA-N", "SMILES:C(=C/c1cc(-c2ccccc2)c(/C=C/c2ccc(N3CCOCC3)cc2)nn1)\\c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEKMKOUGMVNHFY-PTZHXCRQSA-N", "SMILES:CN(C)c1ccc(/C=C/c2cc(-c3ccccc3)c(/C=C/c3ccc(N(C)C)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NECRBIWQLXAJLX-HFBXSBKTSA-N", "SMILES:CN(C)c1ccc(/C=C/C=C/c2cc(/C=C/C=C/c3ccc(N(C)C)cc3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSCQQMZTVNMMPY-YDWXAUTNSA-N", "SMILES:C(=C/c1cc(/C=C/c2ccc(N3CCCC3)cc2)ncn1)\\c1ccc(N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDLWPYBQRTXAH-FNCQTZNRSA-N", "SMILES:C(=C/c1cc(/C=C/c2ccc(N3CCCCC3)cc2)ncn1)\\c1ccc(N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STKDVMHZHNRUJF-LQIBPGRFSA-N", "SMILES:CN1CCN(c2ccc(/C=C/c3cc(/C=C/c4ccc(N5CCN(C)CC5)cc4)ncn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXZSINUSBUWAL-FACPPWRESA-N", "SMILES:C(=C/c1cc(/C=C/c2ccc(N3CCOCC3)cc2)ncn1)\\c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHINCXYXXBGCG-YDWXAUTNSA-N", "SMILES:C(=C/c1cnc(/C=C/c2ccc(N3CCCC3)cc2)cn1)\\c1ccc(N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAMAWSEODCRRT-FNCQTZNRSA-N", "SMILES:C(=C/c1cnc(/C=C/c2ccc(N3CCCCC3)cc2)cn1)\\c1ccc(N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZZWGWWTATDJE-LQIBPGRFSA-N", "SMILES:CN1CCN(c2ccc(/C=C/c3cnc(/C=C/c4ccc(N5CCN(C)CC5)cc4)cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCPDWCLCJKUBY-FACPPWRESA-N", "SMILES:C(=C/c1cnc(/C=C/c2ccc(N3CCOCC3)cc2)cn1)\\c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPLJULUPFKXRR-KAVGSWPWSA-N", "SMILES:CC(C)c1ccc(/C=C/c2cnc(/C=C/c3ccc(C(C)C)cc3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGXQLVRLPJXTIK-LQIBPGRFSA-N", "SMILES:COc1ccc(/C=C/c2cnc(/C=C/c3ccc(OC)cc3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAOJCBSHRFMQSC-FIFLTTCUSA-N", "SMILES:Cn1cccc1/C=C/c1cnc(/C=C/c2cccn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSHLSLQUHZOMV-LLVKDONJSA-N", "SMILES:O=C1Nc2ccccc2[C@]12CCNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFDHLKUQFQCHKF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505179", "category": ["biolink:ChemicalEntity"], "name": "OENOTHEIN B", "xref": ["InChIKey:YSLFLCIPPPJEHH-KWRSDIJDSA-N", "SMILES:O=C(O[C@H]1[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c4cc(c(O)c3O)Oc3c(cc(O)c(O)c3O)C(=O)O[C@H]3C(O)O[C@@H]5COC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(c(O)c6O)Oc6c(cc(O)c(O)c6O)C(=O)O[C@H]1C(O)O[C@@H]2COC4=O)C(=O)O[C@H]5[C@@H]3OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"name": "Nuclear factor NF-kappa-B p105 subunit", "xref": ["CHEMBL.TARGET:CHEMBL1949489"], "id": "UniProtKB:P25799", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBNXUOFSARYYOV-UHFFFAOYSA-N", "SMILES:CC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSWXMYEELUOBP-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc(-c3nnnn3C)cc2Cl)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEVKNKWOYGRRHZ-NGDKDHJKSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/OCc1ccccc1)/C(Cc1c[nH]c2ccc(Br)cc12)=N/OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWSKXHHNKPYXJE-UHFFFAOYSA-N", "SMILES:Cn1cc(CCC(=O)NCCSSCCNC(=O)CCc2cn(C)c3ccc(Br)cc23)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUOGZXWSRFMMEW-QGOAFFKASA-N", "SMILES:CSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKJILXHNJLMXPE-SFQUDFHCSA-N", "SMILES:O=C(NCCO)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DETUVIGYGMBKJQ-QGOAFFKASA-N", "SMILES:COCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJKPRFOJPYEIG-RIGUPBQNSA-N", "SMILES:O=C(NCCCCCCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPYMBOFEAYQRS-NXRKLTDKSA-N", "SMILES:O=C(NCCCCCSSCCCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCGGGSNBWHYREE-RIGUPBQNSA-N", "SMILES:O=C(NCCCCSSCCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWEVYFBPZUKAQY-DKKRNIPZSA-N", "SMILES:O=C(NCCCSSCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYHSPPIIWLJZAA-MMXWPCHCSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1cn(Cc2ccc(Br)cc2)c2ccc(Br)cc12)=N/O)/C(Cc1cn(Cc2ccc(Br)cc2)c2ccc(Br)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNVBAYORPIZCG-WXGDAXOSSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2c(Br)cccc12)=N/O)/C(Cc1c[nH]c2c(Br)cccc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGHBEBZQOXWDLY-IENBMRAWSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2cc(Br)ccc12)=N/O)/C(Cc1c[nH]c2cc(Br)ccc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQJLLHDIVZIBNO-WXGDAXOSSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2cccc(Br)c12)=N/O)/C(Cc1c[nH]c2cccc(Br)c12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFBMVXPIRVFNN-QBRCKEFASA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccccc12)=N/O)/C(Cc1c[nH]c2ccccc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHBZJMIRTLLHDF-IENBMRAWSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1564869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTXLHAHLXOAKV-INIZCTEOSA-N", "SMILES:O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNANBVWJRCPYJB-UHFFFAOYSA-N", "SMILES:CCCc1c(-c2ccc(O)cc2)cn(-c2ccc(O)cc2)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLPIICHZOQKTM-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDRFDUIMSCSIFP-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1"]}
{"name": "Dual specificity tyrosine-phosphorylation-regulated kinase 1A", "xref": ["CHEMBL.TARGET:CHEMBL5508"], "id": "UniProtKB:Q63470", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Dual specificity tyrosine-phosphorylation-regulated kinase 1A", "xref": ["CHEMBL.TARGET:CHEMBL4750"], "id": "UniProtKB:Q61214", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWVZJZTFLZZCU-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTMIZJLSFAVFX-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(O)cc3)CC2)c2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVZPMBRUAZYLFQ-UHFFFAOYSA-N", "SMILES:CNC(=O)CCN1CCC(CNC(=O)c2nn(C(C)C)c3ccccc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHSDDSYYXKLOK-BTJKTKAUSA-N", "SMILES:CC(C)n1nc(C(=O)NCC2CCN(CCCN(C)C)CC2)c2ccccc21.O=C(O)/C=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBMMSKQIJOYKEN-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(CNC(=O)c2nn(C)c3ccccc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTPPUVKHQVZMRZ-FAESTUAFSA-N", "SMILES:CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccccc3Cl)C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOLNBKUBWORFA-SNAWJCMRSA-N", "SMILES:O=C(/C=C/c1cccc(O)c1O)c1c(O)cc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177349", "category": ["biolink:ChemicalEntity"], "name": "HALICLONADIAMINE", "xref": ["InChIKey:ZKTFUNZCYRUILZ-ROZCUQDQSA-N", "SMILES:C1=C/[C@H]2[C@@H]3CCCC[C@H]3C[C@@H]2NCCCN[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2/C=C/1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2177350", "category": ["biolink:ChemicalEntity"], "name": "NEOPETROFORMYNE A", "xref": ["InChIKey:TVJMVJZXKBSCJA-RPTVNZPSSA-N", "SMILES:C#C[C@@H](O)/C=C/CCCCCCC#C[C@H](O)C#C/C=C/CC/C=C\\CCCC/C=C\\CCCCCCCCCCCCC/C=C/[C@@H](O)C#C"], "chembl_natural_product": true}
{"name": "Protein VAC14 homolog", "xref": ["CHEMBL.TARGET:CHEMBL2176841"], "id": "UniProtKB:Q80WQ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "1-phosphatidylinositol 3-phosphate 5-kinase", "xref": ["CHEMBL.TARGET:CHEMBL2176842"], "id": "UniProtKB:Q9Z1T6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485053", "category": ["biolink:ChemicalEntity"], "name": "LEUCETTAMINE B", "xref": ["InChIKey:PKEDBIGNILOTHW-YWEYNIOJSA-N", "SMILES:CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL157844", "category": ["biolink:ChemicalEntity"], "name": "PUUPEHENONE", "xref": ["InChIKey:LOCMLXSTDCXZFJ-YHELAOLJSA-N", "SMILES:CC1(C)CCC[C@]2(C)[C@H]3C=C4C=C(O)C(=O)C=C4O[C@@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2177348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRZJVUPPQWDFAC-YHYXMXQVSA-N", "SMILES:C/C=C(/C)C(=O)OCC1C2=C(C=CN1C=O)C(=O)C(C)=C(OC)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL408982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVLELSCIHASRV-QPEQYQDCSA-N", "SMILES:CCN1/C(=C/C(C)=O)Sc2ccc(OC)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2179261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGWDEKWYGAVQDF-XMSMROCOSA-N", "SMILES:COC(=O)/C=C/C(=O)NC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILUINOXHPIHFM-RDYFDFNXSA-N", "SMILES:COC(=O)/C=C/C(=O)O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYMVECXXFVCGS-MXAYSNPKSA-N", "SMILES:CCOc1cc(/C=C2\\SC(=O)N(CC(=O)c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180482", "category": ["biolink:ChemicalEntity"], "name": "LAGASCATRIOL", "xref": ["InChIKey:KZDCDGQWLAGDOY-FUALLXEGSA-N", "SMILES:CC1(C)CCC[C@H]2C1=CC[C@H]1C[C@@](C)([C@@H](O)CO)C[C@@H](O)[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2180484", "category": ["biolink:ChemicalEntity"], "name": "ANDALUSOL", "xref": ["InChIKey:ZKFWEINMPAYZON-FZWBFHRNSA-N", "SMILES:C=CC(=C)CC[C@H]1[C@]2(C)CCC[C@](C)(CO)[C@H]2[C@H](O)C[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2178596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHODBHTJLPAJL-WJNDYHRLSA-N", "SMILES:CCC1=C[C@@](CC)(C[C@H](/C=C/C(C)=O)CC)O/C1=C\\C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2178583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPVSGZQMXBKIO-CEJKPMKJSA-N", "SMILES:CCC1=C[C@@](CC)(C[C@H](/C=C/[C@H](C)O)CC)O/C1=C\\C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2178586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKBFZCLRVPKNRE-FTJFNGAWSA-N", "SMILES:CCC1=C[C@@](CC)(C[C@H](/C=C/C(C)=O)CC)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2178593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKQROHNXPZHBX-DWAAQONKSA-N", "SMILES:CCCC[C@H](CC)C[C@]1(CC)C=C(CC)/C(=C/C(=O)OC)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL255878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEJJCDYCOPPSL-NMKLUNCLSA-N", "SMILES:CC/C=C/[C@H](CC)C[C@]1(CC)C=C(CC)/C(=C/C(=O)OC)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2179242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDJRSABKQRHHV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJZTEOCIVDJJN-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)sc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1458517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSLWJDFZJOUINW-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(c2c(=O)o1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZSAAKSFZMGDU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)O)cc1-c1cccc(COc2ccc3c(c2)CN(C2CCCC2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXWYRQOHGLPBMP-KVTPGWOSSA-N", "SMILES:CN(C)c1ccc(-c2nc3cc(OCCOCCOCC[18F])ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZMQIGLCNLQYDJ-GJQNQZCXSA-N", "SMILES:CNc1ccc(-c2nc3cc(OCCOCCOCC[18F])ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKIOGTPINVPWPB-ODNLDRMQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCN(C)CCCC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SROFSCGLJHBGGF-XNTDXEJSSA-N", "SMILES:O/N=C(\\CSc1ccccc1)c1cc(Cl)sc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPEPBIQCQOZOFR-BSYVCWPDSA-N", "SMILES:CC(C)(C)c1cc(/C(CSc2ccccc2)=N/O)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIZAIPYPBOOMIP-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(C(=O)c2ccc(NCc3cnc4nc(N)nc(N)c4n3)cn2)CC1"]}
{"name": "Pteridine reductase 1", "xref": ["CHEMBL.TARGET:CHEMBL6194"], "id": "UniProtKB:Q01782", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5664"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNAFINLHQEHKU-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(C(=O)c2ccc(NCc3cnc4nc(N)nc(N)c4n3)cc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2179646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCUNFCLHSRGJB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(-c3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNAYQMLUMSHALT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccccc1Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1"]}
{"name": "Advanced glycosylation end product-specific receptor", "xref": ["CHEMBL.TARGET:CHEMBL2176847"], "id": "UniProtKB:Q63495", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDRYCDHDMZGBD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHQXABLTUZEMM-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1cccc(Nc2nc(C)cc(-c3ccc(OCCC4CCCCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOURHROVVCOHC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C5CCCC5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUQCQOSQMZKFIE-CQSZACIVSA-N", "SMILES:COc1ccc([C@@H](C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUQCQOSQMZKFIE-AWEZNQCLSA-N", "SMILES:COc1ccc([C@H](C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRPLTHVBYHDBJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMWDCMLTTZKGLF-RZUBCFFCSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H]1[C@H](OC(N)=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJAQBPQREYMUET-QHAWAJNXSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H]1[C@H](O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380797", "category": ["biolink:ChemicalEntity"], "name": "SIRTINOL", "xref": ["InChIKey:UXJFDYIHRJGPFS-WPWMEQJKSA-N", "SMILES:CC(NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDKSBHPFQRCGR-WPWMEQJKSA-N", "SMILES:CC(NC(=O)c1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMMXTFONLLCMY-WPWMEQJKSA-N", "SMILES:CC(NC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNCEFHJKHLWIO-WPWMEQJKSA-N", "SMILES:CC(CS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMAJKSFQPZXKBL-YZSQISJMSA-N", "SMILES:CC(NS(=O)(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSSANRHRXBTLY-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHZNMEIBMACSFH-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2180149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMLUSSWDFVTHU-UHFFFAOYSA-N", "SMILES:OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVOWNIGGPNJGNW-UHFFFAOYSA-N", "SMILES:Cc1ccc(COC(=O)N2c3ccccc3Oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVCOYMLGBNCDW-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRAODVLMMWJCCA-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTLRJNRRUGVPRK-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJOYYGIKBZMGB-HJOGWXRNSA-N", "SMILES:CC(C)(C)OC(=O)NCc1cn([C@H]2C[C@@H](C(=O)N3CCC[C@H]3C#N)N(C(=O)CCCc3ccccc3)C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHAYCWUCJOADB-BZSNNMDCSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWMSMVNZMJXUKI-YZRHJBSPSA-N", "SMILES:CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc([14CH3])cc3)n2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBVIGUGYWMTZGZ-AUEPDCJTSA-N", "SMILES:O=C(CC1S/C(=N\\N=C\\c2ccccc2O)N=C1O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDDWGVXIBGSGZ-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCCCC1)Nc1cc(-c2cccc(F)c2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOKMQUUROXQOO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(NC(=O)CCCN3CCCCC3)[nH]n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXNDYTBILLMXOH-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(-c2ccc3[nH]ccc3c2)c1"]}
{"name": "TGF-beta receptor type-2", "xref": ["CHEMBL.TARGET:CHEMBL4267"], "id": "UniProtKB:P37173", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULFUJLFTRWWLPO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELHMJJKAWZPBV-UHFFFAOYSA-N", "SMILES:CCCC1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC)C2c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCRNNIRXPQNTLF-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cc(O)c(O)cc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRQXMPMSQOGQU-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1O)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBSZXMDORKFHN-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCCn3ccnc3)c3c(c2cc1O)C(=O)c1cc2c(cc1-3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIZYBTAYMOFSCR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(OC)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVVYLWTLXWNPT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(OC)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDTHXJUPBYEYMC-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(-n4cc(-c5cnc6[nH]ncc6c5)nn4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBDBQSMCXTVKB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ncc3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPKZXGSICWCIP-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(Nc3ccc4c(c3)NCN(Cc3ccccc3)C4)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLENCLDCTYRFDI-UHFFFAOYSA-N", "SMILES:CCCN1CNc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHARGDBJJUOEB-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c(Oc2ccc(C(N)=O)cc2F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSBTJDUAWBQGE-IUQUCOCYSA-M", "SMILES:CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4ccccc4I)cc3)[C@@H]1C2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWDJDNDYDMMMN-WCRWPNQISA-M", "SMILES:CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4cc(Cl)ccc4Cl)cc3)[C@@H]1C2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKLSLABLNWCAZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2cc(NC(=O)CNC(=O)Nc3ccc(C#N)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJKORICSQAZGJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2cc(NC(=O)CNC(=O)Nc3ccc(C)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNKKZWPDCMPLGC-XYOKQWHBSA-N", "SMILES:O=C(/C=C/Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)OCCN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJVMKJGKFEHTL-HSZRJFAPSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJLGEAWRQBSGD-HSZRJFAPSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WITSYZLHKBGMMR-WKILWMFISA-N", "SMILES:COc1ccc(CNC(=O)c2nc(Br)c3cccnc3c2N[C@H]2CC[C@H](N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPCOFAOVCROVHM-SHTZXODSSA-N", "SMILES:N[C@H]1CC[C@H](Nc2c(C(=O)NCc3ccc(Cl)cc3Cl)nc(Br)c3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLOPKARGYDSMG-WKILWMFISA-N", "SMILES:N[C@H]1CC[C@H](Nc2c(C(=O)NCc3ccc(Cl)cc3)nc(Br)c3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXAKWBZJEZMAEB-UHFFFAOYSA-N", "SMILES:NCCCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1.O=C(O)C(F)(F)F"]}
{"name": "Trypanothione reductase", "xref": ["CHEMBL.TARGET:CHEMBL1837"], "id": "UniProtKB:P39051", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQLQTJVXHKDLGS-UHFFFAOYSA-N", "SMILES:NCCCNCCCCNCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRLBCZDGQFDCZ-UHFFFAOYSA-N", "SMILES:Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIAZRDQNRJRCRQ-UHFFFAOYSA-N", "SMILES:CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMNAFXETUEZJZ-UHFFFAOYSA-N", "SMILES:CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPBJYKHTQKMKP-UHFFFAOYSA-N", "SMILES:CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MREMSPSMZSVSJS-UHFFFAOYSA-N", "SMILES:CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWRABRPTOODHP-UHFFFAOYSA-N", "SMILES:CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQFEMQQQLOYIH-UHFFFAOYSA-N", "SMILES:CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLINRUQQUFMPJJ-UHFFFAOYSA-N", "SMILES:CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMCZCWWAGOARCM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHNCABHIAKMBD-UHFFFAOYSA-N", "SMILES:CC(=O)OCOC(=O)C(C(=O)OCOC(C)=O)C(CC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DORPIZJGSLWDIY-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(-c2cn(CSc3ccccc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOBOFRJLHUCLQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(-c2cn(CCc3ccsc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWLOIPFPGVBJBC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(-c2cn(CCc3ccccc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMOSUYKJZIGNFZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(-c2cn(Cc3ccccc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJRGHIGYPXNABY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPTUSJUZLWKPS-NVUXHHRNSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAAGLFBLRABBL-BDHWBISBSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(C(=O)N[C@H](C)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBGZTOQVQFMJZ-JTIJPRSZSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](N)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUAFMGVVANYBT-FKBYEOEOSA-N", "SMILES:CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAGQHZIZGKYGNB-HSDQXRKWSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYLRTHTIYLUCB-NLPVQCNXSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCAGLXMEXWSQMK-BDSVAIAXSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXDIWJUYMKBICN-QDBLDGTHSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOLBHADFPHYYLF-NZOZXCOESA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXROPHBUPUPWOI-BQZHBXIKSA-N", "SMILES:CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJTOCPGDDLTBBD-LHRJYYJOSA-N", "SMILES:CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRWUYQWJBSEAG-YGPBSGGXSA-N", "SMILES:CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMVRFNXMBGKEW-HVGQEOIXSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2204995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNXAWLQFZMIHX-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAVPIUIORBFWSR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCJCPMLMYYDQU-QUMGSSFMSA-N", "SMILES:Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIRFFSAFKTYPCV-PJTSNVSCSA-N", "SMILES:Cc1nc2ccccc2n1[C@@H]1C[C@@H](C)N(CC[C@H](NC(=O)C2CCC2)c2ccccc2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIYDNEWDZZFKKO-QYOOZWMWSA-N", "SMILES:Cc1nc2ccccc2n1[C@@H]1C[C@H]2COC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIYDNEWDZZFKKO-SSUZURRFSA-N", "SMILES:Cc1nc2ccccc2n1[C@H]1C[C@H]2COC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMZALRQZQUKSDO-QYOOZWMWSA-N", "SMILES:Cc1nc2ccccc2n1[C@@H]1C[C@H]2CSC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKGIWTVSYFHATA-DEOSSOPVSA-N", "SMILES:Cc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQNQYIWXKWYGD-CAQDGQBVSA-N", "SMILES:Cc1nc2ccccc2n1C1[C@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSPLUIUYICJRLA-QFIPXVFZSA-N", "SMILES:Cc1nc2ccccc2n1C1CN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCJCPMLMYYDQU-QYOOZWMWSA-N", "SMILES:Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXXRWKGWRLAYPA-QXOHSXAWSA-O", "SMILES:CN1/C(=C\\c2cc[n+](CCCCCC(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)C(N)=O)c3ccccc23)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXUGMOBVDZAOE-FOHVFMTKSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWDTAMVTFXLGK-XZZHESMXSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccc(CC(CO[N+](=O)[O-])O[N+](=O)[O-])cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXIKKDFRVXWPON-UHFFFAOYSA-N", "SMILES:COC(=O)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODHCHXXWBJERRW-UHFFFAOYSA-N", "SMILES:O=C(O)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYQHKOHCTMNFAU-RLXJOQACSA-N", "SMILES:[3H]C([3H])([3H])n1ccc2cc(-c3nc4ccc(F)nc4o3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBXZKBMJOVTHPJ-RLXJOQACSA-N", "SMILES:[3H]C([3H])([3H])N(C)c1ccc(-c2nc3ccc(F)nc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1475741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRHWCAFAIHTQKD-KRWDZBQOSA-N", "SMILES:COC(=O)N1C(=O)[C@](c2ccccc2)(C2CCCC2)N1C(=O)OC"]}
{"name": "Protein phosphatase methylesterase 1", "xref": ["CHEMBL.TARGET:CHEMBL1293320"], "id": "UniProtKB:Q9Y570", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1550905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUCUORSUHTZMBW-YBFXNURJSA-N", "SMILES:N#C/C(=C\\c1cccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1316687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRVPJBVKDIFNU-UDWIEESQSA-N", "SMILES:N#C/C(=C\\c1cccn1S(=O)(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTZYXUUUDNHPG-SFHVURJKSA-N", "SMILES:C[C@](N)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQACBOGQTPCZCL-XMMPIXPASA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@](C)(CS(=O)(=O)c2ccc(F)cc2)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63560", "category": ["biolink:ChemicalEntity"], "name": "(R)-BICALUTAMIDE", "xref": ["InChIKey:LKJPYSCBVHEWIU-KRWDZBQOSA-N", "SMILES:C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGNIOZCAZTWXMZ-WCHFFXHOSA-N", "SMILES:CC(C)C[C@H](NC(=O)CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYEJAKNGQXQKEF-VMPREFPWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N(CC(=O)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJGGZMGWLLGGH-CKCVZSQNSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZZVTJRJSVNQU-FQEVSTJZSA-N", "SMILES:CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYSLNZITPFUFE-YOEHRIQHSA-N", "SMILES:CC(=S)NCCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFITECXFFYPLN-YDHLFZDLSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=S)CC(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWSGCMPYDSWQU-YDHLFZDLSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CC(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1521288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEMTZCCPMRZII-GXDHUFHOSA-N", "SMILES:CS(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1ccccc1"]}
{"name": "Acylamino-acid-releasing enzyme", "xref": ["CHEMBL.TARGET:CHEMBL1741174"], "id": "UniProtKB:P13798", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMULATOXVMSSRP-JWZAKHIFSA-O", "SMILES:CC[C@H](C)[C@H](N)c1cn([C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3nc(NCCOCCOCCOCc4cn(CC#Cc5ccc(-c6c7ccc(=[N+]8CCCCC8)cc-7oc7cc(N8CCCCC8)ccc67)cc5)nn4)nc(N4CCN(C(=O)[C@H](Cc5ccc(O)cc5)n5cc([C@@H](N)[C@@H](C)CC)nn5)CC4)n3)CC2)nn1"]}
{"name": "NT-3 growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL2791"], "id": "UniProtKB:Q6VNS1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQZAKWTXEFIBNB-UHFFFAOYSA-N", "SMILES:C(#Cc1ccc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1)Cn1cc(COCCOCCOCCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEIARVCIYYMOR-LLVKDONJSA-N", "SMILES:N=C(CF)NCCC[C@@H](NC(=O)c1ccccc1C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPWATVWOHQZVRP-LLVKDONJSA-N", "SMILES:N=C(CCl)NCCC[C@@H](NC(=O)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKQGYIXJPIWJL-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(N3CCCC3)cc2)oc2c1ccc1cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMFCUJZXEWDIAQ-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc3c(=O)cc(-c4ccc(N5CCCC5)cc4)oc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTICYRQLUBBVSD-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc(=O)c3c(F)cc(O)c(O)c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRBWGVXRILHEEA-UHFFFAOYSA-N", "SMILES:O=c1c(F)c(-c2ccccc2)oc2c(O)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFKVKDODFDVTFG-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2c(O)c(O)cc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPPVBGMSTOHSAB-UHFFFAOYSA-N", "SMILES:O=c1c(F)c(-c2cccc(O)c2)oc2c(O)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSBATDCSBPRREY-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2cc(=O)c3ccc(O)c(O)c3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTWGXYWCMMMBCK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc(=O)c3ccc4nc[nH]c4c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVYWKCAOPCHVMX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203686", "category": ["biolink:ChemicalEntity"], "name": "ARUNCIN B", "xref": ["InChIKey:PWEDVXZMKARZSX-VURMDHGXSA-N", "SMILES:CCOC(C)(C)/C=C1/C=C(C(=O)O)C(O)CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2204366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXRKPNQPBCKPS-GOSISDBHSA-N", "SMILES:CC(C)[C@@H](C)NC(=O)c1cc(-c2cc3ccccc3s2)cc(C(=O)NCCc2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCIABFWMPKOJV-LJQANCHMSA-N", "SMILES:CC(C)[C@@H](C)NC(=O)c1cc(-c2cc3ccccc3n2C)cc(C(=O)NCCc2ccccn2)n1"]}
{"name": "Signal transducer and transcription activator 6", "xref": ["CHEMBL.TARGET:CHEMBL2189147"], "id": "UniProtKB:P52633", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGEVTHYSFSIBAF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCC(=O)ON1C(=O)CCC1=O)Oc1ccc2cc(C(C(=O)NCc3ccccc3)N(C(=O)Cc3ccc4c(c3)OCO4)C3CC3)ccc2c1"]}
{"name": "Toll-like receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL2146340"], "id": "UniProtKB:Q99MB1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFCYGRVYFNWCM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)CCC1=O)Oc1ccc2cc(C(C(=O)NCc3ccccc3)N(C(=O)Cc3ccc4c(c3)OCO4)C3CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVPDTARCUPSPT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)C=CC1=O)Oc1ccc2cc(C(C(=O)NCc3ccccc3)N(C(=O)Cc3ccc4c(c3)OCO4)C3CC3)ccc2c1"]}
{"name": "Interleukin-1 receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL2189148"], "id": "UniProtKB:P13504", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Probable linoleate 9S-lipoxygenase 5", "xref": ["CHEMBL.TARGET:CHEMBL2189149"], "id": "UniProtKB:Q43191", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4113"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KASOOKAZJOIQDZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(O)cccc1CCc1ccc2nc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVAQZUSFWDKBNA-LJQANCHMSA-N", "SMILES:COc1cccc(-c2csc(C3(NC(=O)C[C@H](N)Cc4ccccc4F)CCS(=O)(=O)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYOUATXRHWNDDW-YRCZKMHPSA-N", "SMILES:N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2370152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWRAUDRFSBFBR-YRCZKMHPSA-N", "SMILES:NC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449520", "category": ["biolink:ChemicalEntity"], "name": "ATRACTYLENOLIDE I", "xref": ["InChIKey:ZTVSGQPHMUYCRS-SWLSCSKDSA-N", "SMILES:C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2204495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCIGMFCFPXZRMQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1"], "synonym": ["GSK2578215A"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQHMJNYWLXBPHX-AIZYYPCESA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)NC(=O)[C@@H](CCCCNC(=O)OCc2ccccc2Cl)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"name": "Myosin-9", "xref": ["CHEMBL.TARGET:CHEMBL2189151"], "id": "UniProtKB:P35579", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIDGXLMPYMRQQO-QHCPKHFHSA-N", "SMILES:Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUERFHADRHAZBK-QFIPXVFZSA-N", "SMILES:Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOOXCQFWUYVSGU-RPBOFIJWSA-N", "SMILES:Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIWPQCODGUAEAZ-IBGZPJMESA-N", "SMILES:Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGDAEJXIYKFTSC-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWENKLDZCHEYBQ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGIROBRNBTDFG-NRFANRHFSA-N", "SMILES:Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBOJATHNUASNAV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(O)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2204494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNNVLYBULWVHI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCCCCCC)c(C)c2C)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHEMFMCEBIJRMU-UHFFFAOYSA-N", "SMILES:Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1"], "synonym": ["4'-Chloro-[2,2'6',2']Terpyridine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89445", "category": ["biolink:ChemicalEntity"], "name": "TERPYRIDINE", "xref": ["InChIKey:DRGAZIDRYFYHIJ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cccc(-c3ccccn3)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTKJYPNMIIBAMM-OPTSCQQZSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCCC#CC#CCCCC(=O)NC[C@H]1CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@H]1NC(=O)[C@H](CC)NC)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHWJFMQHNGSGI-KGXRNRAMSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCCCCCCCC(=O)NC[C@H]1CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@H]1NC(=O)[C@H](CC)NC)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRUVYGITPXVJJ-XQUYRHCNSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCCCC#CC#CCCCCCC(=O)NC[C@H]1CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@H]1NC(=O)[C@H](CC)NC)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPWOFPCQCEDOR-IAXASMDZSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCCCc1cn(CCCCc3ccc(CCCCn4cc(CCCCC(=O)NC[C@H]5CC[C@H]6CC[C@@H](C(=O)NC(c7ccccc7)c7ccccc7)N6C(=O)[C@H]5NC(=O)[C@H](CC)NC)nn4)cc3)nn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYMCPZUMHDKYMJ-VMEZTKJJSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)N[C@H](C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N21)c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRJMUALTZAVOPH-KEJSZIRXSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)N[C@@H](c1ccccc1)c1cn(CCCCc2ccc(CCCCn3cc([C@@H](NC(=O)[C@@H]4CC[C@@H]5CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N54)c4ccccc4)nn3)cc2)nn1.O=C(O)C(F)(F)F"]}
{"name": "Thioredoxin, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2189153"], "id": "UniProtKB:Q99757", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205161", "category": ["biolink:ChemicalEntity"], "name": "BIOTINYLATED GAMBOGIC ACID", "xref": ["InChIKey:YOBBNXVJHIJSMS-ZKKNMIBOSA-N", "SMILES:CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C4=O)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205166", "category": ["biolink:ChemicalEntity"], "name": "GAMBOGENIC ACID", "xref": ["InChIKey:RCWNBHCZYXWDOV-VSFMGBBVSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)O)(C3=O)[C@@]14O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2207715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNTWDBMSYVXTMP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(C)sc2-c2ccc3ccccc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHCQUEXLRGFEKF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2sc(NC)nc2-c2cc(OC)c(OC)c(OC)c2)cc1"]}
{"name": "Avidin", "xref": ["CHEMBL.TARGET:CHEMBL2189156"], "id": "UniProtKB:P02701", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"name": "Streptavidin", "xref": ["CHEMBL.TARGET:CHEMBL1075026"], "id": "UniProtKB:P22629", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1895"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMCRHARSTGMREL-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCC(O[Si](C)(C)C(C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHXWIVDPLKMHU-UHFFFAOYSA-N", "SMILES:CNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXNLGYHPWSMVIH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(SCCc3ccc(Cl)cc3)n2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2208195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEBSNMGLWSPQZ-CYBMUJFWSA-N", "SMILES:O=C(N[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)c1c[nH]c2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2208196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPUXHQDDBAUWRH-GFCCVEGCSA-N", "SMILES:N[C@H](CCCCNC(=O)C(=O)c1c[nH]c2cc(O)ccc12)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2208197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVSCVARRYSXBKH-LLVKDONJSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C(=O)c1c[nH]c2cc(O)ccc12)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2207287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDIQXJDSSGYWKB-UHFFFAOYSA-N", "SMILES:COc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(C/N=C(/C)N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTBCHWJHAFTLFI-UHFFFAOYSA-N", "SMILES:COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(CCN=C(N)N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGOTEQMXOVPOC-UHFFFAOYSA-N", "SMILES:COc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(CCN=C(N)N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEAYYRQSWDTQPU-UHFFFAOYSA-N", "SMILES:COc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(CCN)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGMLCGMZFDNQU-UHFFFAOYSA-M", "SMILES:COc1cc2cc(-c3cccc(-c4ccc(C(C)(C)C)cc4)c3)[n+](C)c(C)c2cc1OC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFOZCXHTBMFMR-UHFFFAOYSA-N", "SMILES:COc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(CN=C(N)N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKUXHCOFGIPRBT-UHFFFAOYSA-M", "SMILES:COc1cc2cc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)[n+](C)c(C)c2cc1OC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNVCGZRAQOHCEC-UHFFFAOYSA-M", "SMILES:CCCC[N+]1=C(/C=C/c2ccc(N(CC)CC)cc2)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMPGFLPNGLYSZ-UHFFFAOYSA-M", "SMILES:CN1CCN(c2ccc(/C=C/C3=[N+](C)c4ccccc4C3(C)C)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUCENOZTGVBAU-UHFFFAOYSA-M", "SMILES:C[N+]1=C(/C=C/c2ccc(N3CCCC3)cc2)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRPSTTBCEOBEMW-JHGYPSGKSA-M", "SMILES:COc1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOZUTQBTFRBLZ-UHFFFAOYSA-N", "SMILES:C[N+]1=C(/C=C/c2ccc(O)cc2)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNZDBGLCFMCGT-UHFFFAOYSA-M", "SMILES:CCN(CC)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGHTWHRFQCWSR-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFSACMMXLPRGDH-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccco2)Sc2ccccc2N1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIVMIHJPYWQKB-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccco2)Sc2ccccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSXHSFJFJWWOB-DQQJITHMSA-N", "SMILES:C=CC(C)(O)C/C=C/[C@@]1(C)CC[C@@H](C(C)(O)CC(=O)C=C(C)C)O1"], "chembl_natural_product": true}
{"name": "Diacylglycerol O-acyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL6129"], "id": "UniProtKB:Q9ERM3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENLGMOXAQMNEH-CYBMUJFWSA-N", "SMILES:COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBJWIBAMIKCMV-GFCCVEGCSA-N", "SMILES:C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZCHURACHXUMO-NCRQWNIASA-N", "SMILES:Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)NCCCNC(=O)C[C@H](NC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c3ccccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZUEVURCZTONX-SNQFZYALSA-N", "SMILES:N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)NCCCCNC(=O)C[C@H](NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPJLUJFQUSPKW-QZMVMWQSSA-N", "SMILES:Cn1c(CNc2ccc(C(=N)NCCCCNC(=O)C[C@H](NC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21"]}
{"name": "Histamine N-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2190"], "id": "UniProtKB:P50135", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hypoxia up-regulated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL2216741"], "id": "UniProtKB:Q9Y4L1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoproteins C1/C2", "xref": ["CHEMBL.TARGET:CHEMBL2216742"], "id": "UniProtKB:P07910", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFSDVBMSNGBGMS-SNQFZYALSA-N", "SMILES:N=C(NCCCCNC(=O)C[C@H](NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1"]}
{"name": "Leucine-rich repeat-containing protein 59", "xref": ["CHEMBL.TARGET:CHEMBL2216743"], "id": "UniProtKB:Q96AG4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vacuolar protein sorting-associated protein 35", "xref": ["CHEMBL.TARGET:CHEMBL2216744"], "id": "UniProtKB:Q96QK1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266349", "category": ["biolink:ChemicalEntity"], "name": "MELAGATRAN", "xref": ["InChIKey:DKWNMCUOEDMMIN-PKOBYXMFSA-N", "SMILES:N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1"], "synonym": ["Melagatran", "Melagatran", "Melagatran"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216904", "category": ["biolink:ChemicalEntity"], "name": "DARUISOLINE", "xref": ["InChIKey:BURJAQFYNVMZDV-FIRIVFDPSA-N", "SMILES:COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)c1)N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL70590", "category": ["biolink:ChemicalEntity"], "name": "BORRELIDIN", "xref": ["InChIKey:OJCKRNPLOZHAOU-UGKRXNSESA-N", "SMILES:C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C1"], "chembl_natural_product": true}
{"name": "Threonyl-tRNA synthase", "synonym": ["Probable threonine--tRNA ligase, cytoplasmic"], "xref": ["CHEMBL.TARGET:CHEMBL2366435"], "id": "UniProtKB:G3FIN0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:67593"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89295", "category": ["biolink:ChemicalEntity"], "name": "SODIUM AZIDE", "xref": ["InChIKey:PXIPVTKHYLBLMZ-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=[N-].[Na+]"]}
{"name": "Catalase", "xref": ["CHEMBL.TARGET:CHEMBL2227489"], "id": "UniProtKB:P00432", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520897", "category": ["biolink:ChemicalEntity"], "name": "TRIADIMEFON", "xref": ["InChIKey:WURBVZBTWMNKQT-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1"], "chembl_natural_product": true}
{"name": "Cytochrome P450 14alpha-demethylase", "synonym": ["sterol 14alpha-demethylase"], "xref": ["CHEMBL.TARGET:CHEMBL2366401"], "id": "UniProtKB:A1XG20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36651"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520275", "category": ["biolink:ChemicalEntity"], "name": "TRIADIMENOL", "xref": ["InChIKey:BAZVSMNPJJMILC-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL551746", "category": ["biolink:ChemicalEntity"], "name": "DINICONAZOLE", "xref": ["InChIKey:FBOUIAKEJMZPQG-MLPAPPSSSA-N", "SMILES:CC(C)(C)C(O)/C(=C/c1ccc(Cl)cc1Cl)n1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487186", "category": ["biolink:ChemicalEntity"], "name": "TEBUCONAZOLE", "xref": ["InChIKey:PXMNMQRDXWABCY-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2228883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGGMLSXMSDAMT-ZDUSSCGKSA-N", "SMILES:CCCC[C@@H](CCn1cncn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBGZEAQOXYMBE-HNNXBMFYSA-N", "SMILES:CCCC[C@@H](CCn1cncn1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBGZEAQOXYMBE-OAHLLOKOSA-N", "SMILES:CCCC[C@H](CCn1cncn1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCIULKFVCITFNF-AWEZNQCLSA-N", "SMILES:CCCC[C@@H](CCn1cncn1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCIULKFVCITFNF-CQSZACIVSA-N", "SMILES:CCCC[C@H](CCn1cncn1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGGMLSXMSDAMT-CYBMUJFWSA-N", "SMILES:CCCC[C@H](CCn1cncn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDPNKKGNWZRQSI-ZDUSSCGKSA-N", "SMILES:CCCC[C@@H](CCn1cncn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDPNKKGNWZRQSI-CYBMUJFWSA-N", "SMILES:CCCC[C@H](CCn1cncn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHXVJECKQORHQR-OAHLLOKOSA-N", "SMILES:CCCC[C@H](CCn1cncn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCOUYOIYHUKZFE-CYBMUJFWSA-N", "SMILES:CCC[C@H](CCn1cncn1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEISEJBCEGCTFL-GFCCVEGCSA-N", "SMILES:CCC[C@H](CCn1cncn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZFARRKCEJVIPE-ZDUSSCGKSA-N", "SMILES:CCC[C@@H](CCn1cncn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZFARRKCEJVIPE-CYBMUJFWSA-N", "SMILES:CCC[C@H](CCn1cncn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFHBRLCGCCBDB-LBPRGKRZSA-N", "SMILES:CC[C@@H](CCn1cncn1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFHBRLCGCCBDB-GFCCVEGCSA-N", "SMILES:CC[C@H](CCn1cncn1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAHRGKCLCDNNS-NSHDSACASA-N", "SMILES:CC[C@@H](CCn1cncn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAHRGKCLCDNNS-LLVKDONJSA-N", "SMILES:CC[C@H](CCn1cncn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKSXPCKCUIVOTJ-NSHDSACASA-N", "SMILES:CC[C@@H](CCn1cncn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKSXPCKCUIVOTJ-LLVKDONJSA-N", "SMILES:CC[C@H](CCn1cncn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAYCMUIHGZPKZ-LBPRGKRZSA-N", "SMILES:CC[C@@H](CCn1cncn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAYCMUIHGZPKZ-GFCCVEGCSA-N", "SMILES:CC[C@H](CCn1cncn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117448", "category": ["biolink:ChemicalEntity"], "name": "OCTYL 3,4-DIHYDROXYBENZOATE", "xref": ["InChIKey:BPRDKTKLZBOBGP-UHFFFAOYSA-N", "SMILES:CCCCCCCCOC(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL128153", "category": ["biolink:ChemicalEntity"], "name": "HEXYL 3,4-DIHYDROXYBENZOATE", "xref": ["InChIKey:ATZUNQLLBJVVAJ-UHFFFAOYSA-N", "SMILES:CCCCCCOC(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL128785", "category": ["biolink:ChemicalEntity"], "name": "HEPTYL 3,4-DIHYDROXYBENZOATE", "xref": ["InChIKey:SIGKRGHYHGEXRL-UHFFFAOYSA-N", "SMILES:CCCCCCCOC(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129353", "category": ["biolink:ChemicalEntity"], "name": "NONYL 3,4-DIHYDROXYBENZOATE", "xref": ["InChIKey:UJWFFKWWIZEFRR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOC(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEJGZBHRGWBDKV-TWGQIWQCSA-N", "SMILES:CN/C(=C\\[N+](=O)[O-])CCC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDOXWAHLCMINAW-JXMROGBWSA-N", "SMILES:CC/C(=C\\[N+](=O)[O-])N(C)CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHGCFEDWMUZXLX-VMPITWQZSA-N", "SMILES:CN/C(=C\\[N+](=O)[O-])NCC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLDRGDSZYUOWME-UHFFFAOYSA-N", "SMILES:N/C(=N\\[N+](=O)[O-])NCC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKVGHGPASBCMD-UHFFFAOYSA-N", "SMILES:CCN/C(=N\\[N+](=O)[O-])NCC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAFLLDBCZBQQM-MDZDMXLPSA-N", "SMILES:CN(C)/C(=N\\[N+](=O)[O-])N(C)CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKZCQTPNCYNKMS-UHFFFAOYSA-N", "SMILES:CN/C(=N\\[N+](=O)[O-])N(C)CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWCRVNUVRHIGA-QURGRASLSA-N", "SMILES:CN(C(=O)c1ccccc1)/C(=N\\[N+](=O)[O-])N(CC1CCOC1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNXMNBCQLKFOB-VAWYXSNFSA-N", "SMILES:CC(=O)N(C)/C(=N\\[N+](=O)[O-])N(CC1CCOC1)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXLXZPMVVUKXDR-UHFFFAOYSA-N", "SMILES:CN/C(=N\\[N+](=O)[O-])NCC1CCCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIXGGXGADJAHRS-UHFFFAOYSA-N", "SMILES:CN/C(=N\\[N+](=O)[O-])NCC1CC2CCC1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHBWATCUJYXUIC-UHFFFAOYSA-N", "SMILES:CN/C(=N\\[N+](=O)[O-])NCC1(C)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEVUEPLOLUVGN-UHFFFAOYSA-N", "SMILES:CN/C(=N\\[N+](=O)[O-])NCC1CCOC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYXJALKZKSMIA-UHFFFAOYSA-N", "SMILES:CCC1COCC1CN/C(=N/[N+](=O)[O-])NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPMQIVBYLPGDFC-UHFFFAOYSA-N", "SMILES:CN/C(=N\\[N+](=O)[O-])NCC1COC(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJNAEYVSCZHFL-UHFFFAOYSA-N", "SMILES:CN/C(=N\\[N+](=O)[O-])NCC1COCC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406819", "category": ["biolink:ChemicalEntity"], "name": "IMIDACLOPRID", "xref": ["InChIKey:YWTYJOPNNQFBPC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])/N=C1\\NCCN1Cc1ccc(Cl)nc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2228155", "category": ["biolink:ChemicalEntity"], "name": "DINOTEFURAN", "xref": ["InChIKey:YKBZOVFACRVRJN-UHFFFAOYSA-N", "SMILES:CN/C(=N/CC1CCOC1)N[N+](=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2229763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUSVVOZJZNYOPO-JXMROGBWSA-N", "SMILES:CCN(CC1CCOC1)/C(=C/[N+](=O)[O-])NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNJFFQKHWLHPMC-BENRWUELSA-N", "SMILES:N#C/N=C1\\SCCCN1CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNTWFPMUWHTNH-MDZDMXLPSA-N", "SMILES:CN1COCN(CC2CCOC2)/C1=N/[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGGZUWLLIVCAQB-DHZHZOJOSA-N", "SMILES:C/C(=N\\C#N)N(C)CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZFYGUKMSVUSPJ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])/N=C1\\NCCN1CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQAOZOWYVDIWMS-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])/N=C1\\NCCN1Cc1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQCBIAVKPSRBQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])/N=C1\\NCCN1CCC1CCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUUQPIEQIKPCO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])/N=C1\\NCCN1CCC1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBYFQQXRQPGSO-ACCUITESSA-N", "SMILES:O=C(OCCCN1CCN/C1=C\\[N+](=O)[O-])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXKDGZIFUKGHEJ-VQHVLOKHSA-N", "SMILES:CC(=O)OCCCN1CCN/C1=C\\[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJARZTFLRVAIEM-BQYQJAHWSA-N", "SMILES:COCCCN1CCN/C1=C\\[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKUQUJJKDIZET-VOTSOKGWSA-N", "SMILES:O=[N+]([O-])/C=C1\\NCCN1CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTLGXJSUHTUJPX-ZRDIBKRKSA-N", "SMILES:O=C(OCCN1CCN/C1=C\\[N+](=O)[O-])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUYVTAWPFOXTP-SOFGYWHQSA-N", "SMILES:CC(=O)OCCN1CCN/C1=C\\[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOUONFYROBORG-VOTSOKGWSA-N", "SMILES:COCCN1CCN/C1=C\\[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCAVISIDSPWHEB-AATRIKPKSA-N", "SMILES:O=[N+]([O-])/C=C1\\NCCN1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229803", "category": ["biolink:ChemicalEntity"], "name": "FLUFENERIM", "xref": ["InChIKey:GJEREQYJIQASAW-UHFFFAOYSA-N", "SMILES:CC(F)c1ncnc(NCCc2ccc(OC(F)(F)F)cc2)c1Cl"]}
{"name": "AChE2", "synonym": ["Acetylcholinesterase"], "xref": ["CHEMBL.TARGET:CHEMBL2366409"], "id": "UniProtKB:B3SST5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7038"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2227768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCRNWHSATSVXGC-JLHYYAGUSA-N", "SMILES:CC(C)=CCC/C(C)=C/COC(=O)c1c(F)cccc1F"]}
{"name": "Odorant-binding protein 3", "xref": ["CHEMBL.TARGET:CHEMBL2366418"], "id": "UniProtKB:C1KUY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2227767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZYLTXXLXPPPS-SDNWHVSQSA-N", "SMILES:CC(C)=CCC/C(C)=C/COC(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2227766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZBUHJBPFKESM-CAPFRKAQSA-N", "SMILES:CC(C)=CCC/C(C)=C/COC(=O)c1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2227765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSUSWDWCXKNKB-QGOAFFKASA-N", "SMILES:CC(C)=CCC/C(C)=C/COC(=O)c1cc(C(C)C)nn1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2227764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILDBNRLFYLAMS-SFQUDFHCSA-N", "SMILES:CC(C)=CCC/C(C)=C/COC(=O)c1cc(C(C)C)nn1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2227772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCGHMUFMOUSSG-GHRIWEEISA-N", "SMILES:CCCc1cc(C(=O)OC/C=C(\\C)CCC=C(C)C)n(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2227771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWVMWIAKBOMCH-RVDMUPIBSA-N", "SMILES:CC(C)=CCC/C(C)=C/COC(=O)c1cc(C)nn1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451432", "category": ["biolink:ChemicalEntity"], "name": "THIACLOPRID", "xref": ["InChIKey:HOKKPVIRMVDYPB-UVTDQMKNSA-N", "SMILES:N#C/N=C1\\SCCN1Cc1ccc(Cl)nc1"], "chembl_natural_product": true}
{"name": "Odorant-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2366417"], "id": "UniProtKB:C1KUY2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7029"]}
{"name": "Odorant-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL2366416"], "id": "UniProtKB:C1KUY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOCWDNPBJOCTNS-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc(C(=O)NC(C)C)c1NC(=S)NC(=O)c1cc(Cl)nn1-c1ncccc1Cl"]}
{"name": "Ryanodien receptor", "xref": ["CHEMBL.TARGET:CHEMBL2366439"], "id": "UniProtKB:H9CNL0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7107"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZNGDSPXLOZKR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Cl)cc(C)c1NC(=S)NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl"]}
{"name": "Voltage-dependent L-type calcium channel, putative", "synonym": ["Voltage-dependent L-type calcium channel subunit alpha"], "xref": ["CHEMBL.TARGET:CHEMBL2366428"], "id": "UniProtKB:E0VY79", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:121224"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2234294", "category": ["biolink:ChemicalEntity"], "name": "[19F]-HALOPERIDOL", "xref": ["InChIKey:LNEPOXFFQSENCJ-YXZYFPPPSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc([19F])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2234329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZWMBMCZFBXLX-UHFFFAOYSA-N", "SMILES:CCOc1ccc(OCC)c(SC2=C(O)CC(COc3ccc4ccccc4c3)(c3ccccc3)OC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2234322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVPKNDUGSSIVMI-UHFFFAOYSA-N", "SMILES:CCOc1ccc(OCC)c(SC2=C(O)CC(COc3cccc4ccccc34)(c3ccccc3)OC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL40583", "category": ["biolink:ChemicalEntity"], "name": "3-METHYLCHOLANTHRENE", "xref": ["InChIKey:PPQNQXQZIWHJRB-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1760546", "category": ["biolink:ChemicalEntity"], "name": "N-CINNAMOYL SEROTONIN", "xref": ["InChIKey:FRAFXYQJEIADQB-RMKNXTFCSA-N", "SMILES:O=C(/C=C/c1ccccc1)NCCc1c[nH]c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXATDXLEUXMDN-XVIFHXHVSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccc(C(=O)NCCOCCOCCOCCOCc3ccc(-c4cc(=O)c5c(ccc6ccccc65)o4)cc3)cc2)cc1"]}
{"name": "Aryl hydrocarbon receptor", "xref": ["CHEMBL.TARGET:CHEMBL5400"], "id": "UniProtKB:P41738", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205927", "category": ["biolink:ChemicalEntity"], "name": "2-((PHENYLIMINO)METHYL)PHENOL", "xref": ["InChIKey:QIYHCQVVYSSDTI-GXDHUFHOSA-N", "SMILES:Oc1ccccc1/C=N/c1ccccc1"], "synonym": ["GBR-11840"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2236407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYBHINZUFBWUMY-CXUHLZMHSA-N", "SMILES:COc1ccc(/N=C/c2cc(Br)ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJNPFBSKRVERC-RIYZIHGNSA-N", "SMILES:O=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2238550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJZHJLMNWUXAAA-MXWIWYRXSA-N", "SMILES:C/C(=N\\CC/N=C(\\C)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWNXKBHOIRKNG-OQLLNIDSSA-N", "SMILES:Oc1ccc(Br)cc1/C=N/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL21396", "category": ["biolink:ChemicalEntity"], "name": "SKIMMIANINE", "xref": ["InChIKey:SLSIBLKBHNKZTB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)c3ccoc3nc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2236580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBPINNMNBNFPMA-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2234039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBPINNMNBNFPMA-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPOLCHGBLSZFC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(NCc2ccccc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIMIOPJLQRCQKE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(NC2CCCCC2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGEQDBROWAEMNY-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)c1nc2ccccn2c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRLGYBVJVRHPP-UHFFFAOYSA-N", "SMILES:CCCCNc1nc2ccccn2c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZFYHWAADQRSX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(NC2CC2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZOZJEJQUVZWOO-UHFFFAOYSA-N", "SMILES:CC(C)N(c1nc2ccccn2c1[N+](=O)[O-])C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FELKWCNZOXAFHN-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2ccccn2c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2252931", "category": ["biolink:ChemicalEntity"], "name": "Diallate", "xref": ["InChIKey:SPANOECCGNXGNR-UITAMQMPSA-N", "SMILES:CC(C)N(C(=O)SC/C(Cl)=C/Cl)C(C)C"]}
{"name": "Photosystem II protein D1", "xref": ["CHEMBL.TARGET:CHEMBL2366481"], "id": "UniProtKB:P69560", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31970", "category": ["biolink:ChemicalEntity"], "name": "TRIFLURALIN", "xref": ["InChIKey:ZSDSQXJSNMTJDA-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63677", "category": ["biolink:ChemicalEntity"], "name": "ROBUSTAFLAVONE", "xref": ["InChIKey:BORWSEZUWHQTOK-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(-c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)c2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2252053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHRGMQHAUKJNKI-UHFFFAOYSA-N", "SMILES:C=CCN(CC=C)CC(Cn1cncn1)c1ccc(Cl)cc1Cl"]}
{"name": "Lanosterol 14-alpha demethylase", "xref": ["CHEMBL.TARGET:CHEMBL2242732"], "id": "UniProtKB:P49602", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5270"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2252043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYHPSEVPZYGTOI-UHFFFAOYSA-N", "SMILES:CC12CC(N/C(=N/C#N)N1)c1ccccc1O2"]}
{"name": "Acetylcholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL2366490"], "id": "UniProtKB:Q27677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7539"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1886718", "category": ["biolink:ChemicalEntity"], "name": "FLUFENACET", "xref": ["InChIKey:IANUJLZYFUDJIH-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1"]}
{"name": "3-ketoacyl-CoA synthase 20", "xref": ["CHEMBL.TARGET:CHEMBL2242734"], "id": "UniProtKB:Q9FG87", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2252193", "category": ["biolink:ChemicalEntity"], "name": "FENTRAZAMIDE", "xref": ["InChIKey:LLQPHQFNMLZJMP-UHFFFAOYSA-N", "SMILES:CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2252191", "category": ["biolink:ChemicalEntity"], "name": "CAFENSTROLE", "xref": ["InChIKey:HFEJHAAIJZXXRE-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2252190", "category": ["biolink:ChemicalEntity"], "name": "ANILOFOS", "xref": ["InChIKey:KBHFYJIATZJZLP-UHFFFAOYSA-N", "SMILES:COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2252189", "category": ["biolink:ChemicalEntity"], "name": "ALLIDOCHLOR", "xref": ["InChIKey:WVECKRTXZJBQIJ-UHFFFAOYSA-N", "SMILES:C#CCN(CC#C)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1414154", "category": ["biolink:ChemicalEntity"], "name": "ALACHLOR", "xref": ["InChIKey:XCSGPAVHZFQHGE-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1N(COC)C(=O)CCl"], "chembl_natural_product": true}
{"name": "3-ketoacyl-CoA synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL2242736"], "id": "UniProtKB:Q5XEP9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1884767", "category": ["biolink:ChemicalEntity"], "name": "TRIALLATE", "xref": ["InChIKey:MWBPRDONLNQCFV-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C"], "chembl_natural_product": true}
{"name": "3-ketoacyl-CoA synthase 5", "xref": ["CHEMBL.TARGET:CHEMBL2242737"], "id": "UniProtKB:Q9C6L5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"name": "3-ketoacyl-CoA synthase 17", "xref": ["CHEMBL.TARGET:CHEMBL2242738"], "id": "UniProtKB:O65677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"name": "3-ketoacyl-CoA synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL2242739"], "id": "UniProtKB:Q9MAM3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"name": "3-ketoacyl-CoA synthase 18", "xref": ["CHEMBL.TARGET:CHEMBL2242735"], "id": "UniProtKB:Q38860", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2252571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGGXCZVOQQDOX-UHFFFAOYSA-N", "SMILES:O=C1C=C(NCc2ccccc2)C(=O)C=C1NCc1ccccc1"]}
{"name": "Photosystem I iron-sulfur center", "xref": ["CHEMBL.TARGET:CHEMBL2366434"], "id": "UniProtKB:G3EFH9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:38727"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250205", "category": ["biolink:ChemicalEntity"], "name": "(3S)-BUTYLPHTHALIDE", "xref": ["InChIKey:HJXMNVQARNZTEE-NSHDSACASA-N", "SMILES:CCCC[C@@H]1OC(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL481246", "category": ["biolink:ChemicalEntity"], "name": "LIGUSTILIDE", "xref": ["InChIKey:IQVQXVFMNOFTMU-FLIBITNWSA-N", "SMILES:CCC/C=C1\\OC(=O)C2=C1CCC=C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2252753", "category": ["biolink:ChemicalEntity"], "name": "CNIDILIDE", "xref": ["InChIKey:UXDIXFDKSPCUIX-AXFHLTTASA-N", "SMILES:CCCC[C@@H]1OC(=O)[C@@H]2C=CCC[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2251795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIZPLMSXLIHIW-QGOAFFKASA-N", "SMILES:CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2cc(Cl)ccc2O)nn1C"]}
{"name": "Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2366485"], "id": "UniProtKB:Q007T0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2251796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDLAARBCVJBPAY-BSYVCWPDSA-N", "SMILES:CO/N=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccccc2O)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2251794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWHPNKTQIFBEK-XMHGGMMESA-N", "SMILES:CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2cc(C)ccc2O)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2251793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMYMZNITWMFRPZ-NBVRZTHBSA-N", "SMILES:CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccccc2O)nn1C"]}
{"name": "Cytochrome b", "xref": ["CHEMBL.TARGET:CHEMBL2366425"], "id": "UniProtKB:P24964", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUFMREVPILSXTN-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNMFSNHCDLCVNH-UHFFFAOYSA-N", "SMILES:Nc1sc2ccccc2c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNPHHFAVRMOFO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2SCc3c(sc(N)c3C(=O)c3ccc(Cl)cc3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQBILOPRIABJD-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCSC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKPXSGSDHHTAB-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC1(C2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQWMEYCHYITTRG-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC(Cc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHRFEXUPWXOOKM-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC(c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZGLHSXCKPBUQC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)OC1CCc2c(sc(N)c2C(=O)c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXDZOFLSIKWQR-UHFFFAOYSA-N", "SMILES:Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC(O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2261746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOHUBSGWLQBGKD-YFKPBYRVSA-N", "SMILES:N[C@@H](CCCNC(=O)CCl)C(=O)O"]}
{"name": "Ornithine decarboxylase", "xref": ["CHEMBL.TARGET:CHEMBL3511"], "id": "UniProtKB:P09057", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL542541", "category": ["biolink:ChemicalEntity"], "name": "HYDRALAZINE HYDROCHLORIDE", "xref": ["InChIKey:ZUXNZUWOTSUBMN-UHFFFAOYSA-N", "SMILES:Cl.NNc1nncc2ccccc12"], "synonym": ["Hydralazine hydrochloride", "Hydralazine hydrochloride", "Hydralazine hydrochloride", "Apressinum", "Hydralazine hcl", "Hydralazine hydrochloride", "Hydralazini hydrochloridum", "MC-1101", "NSC-89394", "Apresoline", "Dralzine", "Hydralazine hydrochloride", "Hydralazine hydrochloride component of -hydrochlorothiazide-reserpine", "Hydralazine hydrochloride component of apresazide", "Hydralazine hydrochloride component of apresoline-esidrix", "Hydralazine hydrochloride component of bidil", "Hydralazine hydrochloride component of cam-ap-es", "Hydralazine hydrochloride component of dralserp", "Hydralazine hydrochloride component of hydra-zide", "Hydralazine hydrochloride component of hydrap-es", "Hydralazine hydrochloride component of hydroserpine plus (r-h-h)", "Hydralazine hydrochloride component of ser-a-gen", "Hydralazine hydrochloride component of ser-ap-es", "Hydralazine hydrochloride component of serpasil-apresoline", "Hydralazine hydrochloride component of unipres"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2259931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSUBMDLVQJXAJM-UHFFFAOYSA-N", "SMILES:CN(CC(O)c1ccccc1)CC1CCCCN1C"]}
{"name": "Probable L-lysine-epsilon aminotransferase", "synonym": ["L-lysine-epsilon aminotransferase"], "xref": ["CHEMBL.TARGET:CHEMBL2259247"], "id": "UniProtKB:P9WQ77", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2262117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQVOGGFHZSARK-GQCTYLIASA-N", "SMILES:O=C(/C=C/c1cccc(Cl)c1)c1cc(Cl)ccc1O"]}
{"name": "Tubulin alpha 4a", "synonym": ["Tubulin alpha chain"], "xref": ["CHEMBL.TARGET:CHEMBL2366421"], "id": "UniProtKB:C5ISA2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9940"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2261218", "category": ["biolink:ChemicalEntity"], "name": "TETRADECANOYL ACETAL SODIUM SULFITE", "xref": ["InChIKey:JTGQRRSKFSMVSQ-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCC(=O)CC(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2261217", "category": ["biolink:ChemicalEntity"], "name": "DODECANOYL ACETAL SODIUM SULFITE", "xref": ["InChIKey:WEFFNAOSGJCISM-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCC(=O)CC(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488943", "category": ["biolink:ChemicalEntity"], "name": "SODIUM HOUTTUYFONATE", "xref": ["InChIKey:HPPWMWCITPGPKK-UHFFFAOYSA-M", "SMILES:CCCCCCCCCC(=O)CC(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2261216", "category": ["biolink:ChemicalEntity"], "name": "OCTANOYL ACETAL SODIUM SULFITE", "xref": ["InChIKey:DDTYGSFFPMMHFL-UHFFFAOYSA-M", "SMILES:CCCCCCCC(=O)CC(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260587", "category": ["biolink:ChemicalEntity"], "name": "4-[5-(THIOPHEN-2-YL)FURAN-2-YL]BENZAMIDINE", "xref": ["InChIKey:JMZXONZXMMRWAZ-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(-c2ccc(-c3cccs3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260586", "category": ["biolink:ChemicalEntity"], "name": "6-[5-(THIOPHEN-2-YL)FURAN-2-YL]NICOTINAMIDINE", "xref": ["InChIKey:CMKBZDXJURFSGJ-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(-c2ccc(-c3cccs3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260585", "category": ["biolink:ChemicalEntity"], "name": "6-(2,2'-BITHIOPHENE-5-YL)NICOTINAMIDINE", "xref": ["InChIKey:FUHIHDHPHBAGCG-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(-c2ccc(-c3cccs3)s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260582", "category": ["biolink:ChemicalEntity"], "name": "4-(2,2'-BIFURAN-5-YL)BENZAMIDINE", "xref": ["InChIKey:QVXIOHAOIPVCMZ-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(-c2ccc(-c3ccco3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260580", "category": ["biolink:ChemicalEntity"], "name": "6-[5-(THIOPHEN-2-YL)FURAN-2-YL]NICOTINONITRILE", "xref": ["InChIKey:VJTKGCHAYMQTIL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(-c3cccs3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2259647", "category": ["biolink:ChemicalEntity"], "name": "4-(2,2'-BITHIOPHEN-5-YL)BENZONITRILE", "xref": ["InChIKey:BJELKYGNAJIRAK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(-c3cccs3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260577", "category": ["biolink:ChemicalEntity"], "name": "4-(2,2'-BIFURAN-5-YL)BENZONITRILE", "xref": ["InChIKey:GUHBTZWQXNFNFU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(-c3ccco3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2263394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZTGSWAYXMZCGA-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(-c3ccccc3)n(-c3ccccc3F)n2)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2263393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEWGZKMKVQJTR-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(-c3ccccc3)n(-c3cccc(F)c3)n2)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2263390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIDVCGVURBDYCI-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(-c3ccccc3)on2)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUBZFCWMCGQOOE-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1C(C#N)=C(N)Oc2cc(N(C)C)ccc21"]}
{"name": "Dipeptidyl peptidase 3", "xref": ["CHEMBL.TARGET:CHEMBL4105778"], "id": "UniProtKB:L8I2E6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:72004"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15768", "category": ["biolink:ChemicalEntity"], "name": "CAMPHOR", "xref": ["InChIKey:DSSYKIVIOFKYAU-UHFFFAOYSA-N", "SMILES:CC12CCC(CC1=O)C2(C)C"], "synonym": ["Camphora", "Camphor", "D-camphor", "Dl-camphor", "Trans-pi-oxocamphor", "Camphor", "Camphor d-form", "Camphor", "Camphor (natural)", "Camphor (synthetic)", "Camphor laurel", "Camphor laurel whole", "Camphor tree whole", "Camphor whole", "Camphor, d-", "Camphor, dl-", "Camphor, racemic", "Camphora camphora", "Camphora officinalis whole", "Camphora tree", "Camphortree whole", "Camphorwood", "Cinnamomum camphora", "Cinnamomum camphora whole", "Cinnamonum camphora", "D-camphor", "Dextrocamphor", "Dl-camphor", "Gum camphor", "Karpura whole", "Laurus camphora", "Natural camphor", "Synthetic camphor", "FEMA NO. 2230", "FEMA NO. 4513", "NSC-755918", "Camphor"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL470671", "category": ["biolink:ChemicalEntity"], "name": "ESTRAGOLE", "xref": ["InChIKey:ZFMSMUAANRJZFM-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(OC)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL501949", "category": ["biolink:ChemicalEntity"], "name": "(S)(+)CARVONE", "xref": ["InChIKey:ULDHMXUKGWMISQ-VIFPVBQESA-N", "SMILES:C=C(C)[C@H]1CC=C(C)C(=O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452630", "category": ["biolink:ChemicalEntity"], "name": "ANETHOLE", "xref": ["InChIKey:RUVINXPYWBROJD-ONEGZZNKSA-N", "SMILES:C/C=C/c1ccc(OC)cc1"], "synonym": ["Anethole", "(e)-p-propenylanisole", "Anethole", "Anethole (natural)", "Anethole, trans", "Anise camphor", "Isoestragole", "Monasirup", "Trans-1-p-anisylpropene", "Trans-p-propenylanisole", "FEMA NO. 2086", "NSC-209529"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL25719", "category": ["biolink:ChemicalEntity"], "name": "GERANIOL", "xref": ["InChIKey:GLZPCOQZEFWAFX-JXMROGBWSA-N", "SMILES:CC(C)=CCC/C(C)=C/CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL25306", "category": ["biolink:ChemicalEntity"], "name": "LINALOOL", "xref": ["InChIKey:CDOSHBSSFJOMGT-UHFFFAOYSA-N", "SMILES:C=CC(C)(O)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL449693", "category": ["biolink:ChemicalEntity"], "name": "GAMMA-TERPINENE", "xref": ["InChIKey:YKFLAYDHMOASIY-UHFFFAOYSA-N", "SMILES:CC1=CCC(C(C)C)=CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2268554", "category": ["biolink:ChemicalEntity"], "name": "FENCHONE", "xref": ["InChIKey:LHXDLQBQYFFVNW-UHFFFAOYSA-N", "SMILES:CC12CCC(C1)C(C)(C)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2270359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNMCVSYBKAZRI-UHFFFAOYSA-N", "SMILES:CCCCCCCC1=C(Br)c2nc3ccccn3c2C(=O)C1=O"]}
{"name": "Photosystem II protein D1", "xref": ["CHEMBL.TARGET:CHEMBL2268003"], "id": "UniProtKB:P07753", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3055"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2270631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUSRMYNUNJQKE-GZMMTYOYSA-N", "SMILES:C[C@H]1CO[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1"]}
{"name": "15-cis-phytoene desaturase", "xref": ["CHEMBL.TARGET:CHEMBL2366472"], "id": "UniProtKB:P26294", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1140"]}
{"name": "Phenol oxidase", "synonym": ["tyrosinase"], "xref": ["CHEMBL.TARGET:CHEMBL2366412"], "id": "UniProtKB:B5U2Z5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:51655"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2270643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJZXYZBBMXJJCK-UHFFFAOYSA-N", "SMILES:C#CCOc1cc(-n2nc(C(C)(C)C)sc2=O)c(Cl)cc1Cl"]}
{"name": "Putative protoporphyrinogen IX oxidase", "synonym": ["Protoporphyrinogen oxidase"], "xref": ["CHEMBL.TARGET:CHEMBL2366424"], "id": "UniProtKB:C6L817", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3659"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1881194", "category": ["biolink:ChemicalEntity"], "name": "NORFLURAZONE", "xref": ["InChIKey:NVGOPFQZYCNLDU-UHFFFAOYSA-N", "SMILES:CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl"]}
{"name": "Phytoene desaturase", "synonym": ["15-cis-phytoene desaturase, chloroplastic/chromoplastic"], "xref": ["CHEMBL.TARGET:CHEMBL2366508"], "id": "UniProtKB:Q8W433", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:38851"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2269565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHILTJIKJPVBGV-NSHDSACASA-N", "SMILES:C=CCOC[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2269564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHILTJIKJPVBGV-LLVKDONJSA-N", "SMILES:C=CCOC[C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259727", "category": ["biolink:ChemicalEntity"], "name": "CLOTHIANIDINE", "xref": ["InChIKey:PGOOBECODWQEAB-UHFFFAOYSA-N", "SMILES:CN/C(=N\\[N+](=O)[O-])NCc1cnc(Cl)s1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2269822", "category": ["biolink:ChemicalEntity"], "name": "DESMETHYLTHIAMETHOXAM", "xref": ["InChIKey:LOXCNVOJGRNBFX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])/N=C1\\NCOCN1Cc1cnc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112186", "category": ["biolink:ChemicalEntity"], "name": "RYANODINE", "xref": ["InChIKey:URVDQZDQPQVIGE-ZORYXUITSA-N", "SMILES:CC(C)[C@@]1(O)[C@@H](OC(=O)c2cc[nH]c2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]41C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2272094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFRQTCDVQNVWDI-SUNZBBGGSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC3=O)C(=O)N2"]}
{"name": "Large conductance calcium activated potassium channel pSlo spliceform 1-5A", "synonym": ["BK channel"], "xref": ["CHEMBL.TARGET:CHEMBL2366507"], "id": "UniProtKB:Q8I9V1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6978"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2272096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFFKKWQHDLGIQB-HQYFERETSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2272095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMZVQAWCJXIJDE-WMYNLDKDSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC3=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507974", "category": ["biolink:ChemicalEntity"], "name": "TETRODOTOXIN", "xref": ["InChIKey:CFMYXEVWODSLAX-QOZOJKKESA-N", "SMILES:NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO"], "synonym": ["Tetrodotoxin", "Tetrodotoxine", "Tetrodotoxina", "Tetrodotoxin", "Araregai toxin", "Babylonia japonica toxin 1", "Bjt 1", "Maculotoxin", "Pft-1 toxin", "Spheroidine", "Tarichatoxin", "Tectin", "Tetrodotoxin", "Tettrodotoxin", "TTX"], "chembl_natural_product": true}
{"name": "Voltage-gated sodium channel Nav1 alpha subunit", "synonym": ["Sodium channel protein"], "xref": ["CHEMBL.TARGET:CHEMBL2366426"], "id": "UniProtKB:D0E0C1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6978"]}
{"id": "CHEMBL.COMPOUND:CHEMBL95764", "category": ["biolink:ChemicalEntity"], "name": "GLYPHOSATE", "xref": ["InChIKey:XDDAORKBJWWYJS-UHFFFAOYSA-N", "SMILES:O=C(O)CNCP(=O)(O)O"], "chembl_natural_product": true}
{"name": "Cytochrome P450 71B1", "xref": ["CHEMBL.TARGET:CHEMBL2268013"], "id": "UniProtKB:P49264", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13288"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXSBIZTGNZNTF-QOVZSLTQSA-N", "SMILES:Cc1ccc(COC[n+]2cccc(/C=N/O)c2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYAIENKFWDABMA-NSPIFIKESA-N", "SMILES:O/N=C/c1ccc[n+](COCc2ccccc2)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BABPEQUGBDVOGC-KMZJGFRYSA-N", "SMILES:CCCCCCOC[n+]1cccc(/C=N/O)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQYMLJAEMHFDNP-KRWCAOSLSA-N", "SMILES:CCCCCCCOC[n+]1cccc(/C=N/O)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVRVWEVFZZJLAY-CLNHMMGSSA-N", "SMILES:CCCCCCCCOC[n+]1cccc(/C=N/O)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLYHGCFUBMHFO-IWSIBTJSSA-N", "SMILES:CCCCCCCCCOC[n+]1cccc(/C=N/O)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMZFAACEFIJAP-LSJACRKWSA-N", "SMILES:CCCCCCCCCCOC[n+]1cccc(/C=N/O)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJVJNYJBQNUSY-QTCZRQAZSA-N", "SMILES:CCCCCCCCCCCOC[n+]1cccc(/C=N/O)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPCJWWJFBMDDBG-QTNJPTFUSA-N", "SMILES:CCCCCCCCCCCCOC[n+]1cccc(/C=N/O)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGGUPDLNYMGLY-UHFFFAOYSA-N", "SMILES:Cc1ccc(COC[n+]2ccc(/C=N/O)cc2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGRXNAZAMXGTMZ-UHFFFAOYSA-N", "SMILES:CCCCCCOC[n+]1ccc(/C=N/O)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQYWKPLRRINNB-UHFFFAOYSA-N", "SMILES:CCCCCCCOC[n+]1ccc(/C=N/O)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPCDRBXNGQBLG-UHFFFAOYSA-N", "SMILES:CCCCCCCCOC[n+]1ccc(/C=N/O)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVMUUGDNTXUGD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOC[n+]1ccc(/C=N/O)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCIQQYDXGOVONE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCOC[n+]1ccc(/C=N/O)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZJKRMHZYMEHDX-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCOC[n+]1ccc(/C=N/O)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2282260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQYQXNHBQTGEW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCOC[n+]1ccc(/C=N/O)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255790", "category": ["biolink:ChemicalEntity"], "name": "TYRAMINE HYDROCHLORIDE", "xref": ["InChIKey:RNISDHSYKZAWOK-UHFFFAOYSA-N", "SMILES:Cl.NCCc1ccc(O)cc1"]}
{"name": "TyR1", "synonym": ["Octopamine receptor"], "xref": ["CHEMBL.TARGET:CHEMBL2285349"], "id": "UniProtKB:H9TVJ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:168631"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1365675", "category": ["biolink:ChemicalEntity"], "name": "AMITRAZ", "xref": ["InChIKey:QXAITBQSYVNQDR-ZIOPAAQOSA-N", "SMILES:Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1"], "synonym": ["Amitraz", "Amitraz", "Certifect", "NSC-324552", "U-36,059", "U-36-059", "U-36059", "Amitraz component of promeris duo", "Amitraz", "Amitraz"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL478978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMUWCAYGHBNRQJ-MDWZMJQESA-N", "SMILES:C/C=C(\\C)C(=O)c1c(OC)c2c(c3c(CCC)cc(=O)oc13)OC(C)(C)C=C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2289306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCRALGSUJBBKI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)nc(Oc2cccc(N)c2C(=O)O)n1"]}
{"name": "Acetolactate synthase, chloroplastic", "xref": ["CHEMBL.TARGET:CHEMBL4263"], "id": "UniProtKB:P17597", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158718", "category": ["biolink:ChemicalEntity"], "name": "FENITROXON", "xref": ["InChIKey:MJNAIAPNXYJWCT-UHFFFAOYSA-N", "SMILES:COP(=O)(OC)Oc1ccc([N+](=O)[O-])c(C)c1"]}
{"name": "Carboxylesterase", "synonym": ["Carboxylic ester hydrolase"], "xref": ["CHEMBL.TARGET:CHEMBL2366410"], "id": "UniProtKB:B3TNN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:481309"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2288594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADWXJSJTYDJAJ-CMPLNLGQSA-N", "SMILES:COc1ccc([C@@H]2CC=CC[C@H]2[N+](=O)[O-])c(OC)c1OC"]}
{"name": "Tubulin polymerization-promoting protein", "xref": ["CHEMBL.TARGET:CHEMBL2366491"], "id": "UniProtKB:Q27957", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL417295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMSJGHDALRIUAE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC=CCC2C#N)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55518", "category": ["biolink:ChemicalEntity"], "name": "(3,5-DICHLOROPHENYLAMINO)METHYLENEDIPHOSPHONIC ACID", "xref": ["InChIKey:ALPQLQJFTUXTFT-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(Nc1cc(Cl)cc(Cl)c1)P(=O)(O)O"]}
{"name": "Glutamine synthetase", "xref": ["CHEMBL.TARGET:CHEMBL2366486"], "id": "UniProtKB:Q01HZ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4530"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2287189", "category": ["biolink:ChemicalEntity"], "name": "MECOPROP-P", "xref": ["InChIKey:WNTGYJSOUMFZEP-ZETCQYMHSA-N", "SMILES:Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O"]}
{"name": "Protoporphyrinogen oxidase 2", "xref": ["CHEMBL.TARGET:CHEMBL2366509"], "id": "UniProtKB:Q94IG7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2287379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHQTFMOEXINRR-UHFFFAOYSA-N", "SMILES:CCCC12COP(=S)(OC1)OC2CC(C)C"]}
{"name": "GABA receptor subunit", "synonym": ["Gamma-aminobutyric acid receptor subunit beta"], "xref": ["CHEMBL.TARGET:CHEMBL3986"], "id": "UniProtKB:Q75NA5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7370"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2287382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTTGBVHQCMMEIZ-UHFFFAOYSA-N", "SMILES:CCCCC1OP2(=S)OCC1(CCC)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2288325", "category": ["biolink:ChemicalEntity"], "name": "TRETRAMETHYLAMMONIUM IODIDE", "xref": ["InChIKey:RXMRGBVLCSYIBO-UHFFFAOYSA-M", "SMILES:C[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2286831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRUBXJBPLLZTAN-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLZCOYDOFRTTHF-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL141989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJOFNWDVXXUHAG-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1526229", "category": ["biolink:ChemicalEntity"], "name": "ANABASINE", "xref": ["InChIKey:MTXSIJUGVMTTMU-JTQLQIEISA-N", "SMILES:c1cncc([C@@H]2CCCCN2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL9732", "category": ["biolink:ChemicalEntity"], "name": "R-NICOTINE", "xref": ["InChIKey:SNICXCGAKADSCV-SNVBAGLBSA-N", "SMILES:CN1CCC[C@@H]1c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2285758", "category": ["biolink:ChemicalEntity"], "name": "NEREISTOXIN", "xref": ["InChIKey:DSOOGBGKEWZRIH-UHFFFAOYSA-N", "SMILES:CN(C)C1CSSC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL134752", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYLPHENYLPIPERAZINIUM", "xref": ["InChIKey:MKGIQRNAGSSHRV-UHFFFAOYSA-N", "SMILES:C[N+]1(C)CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2287063", "category": ["biolink:ChemicalEntity"], "name": "CONIINE", "xref": ["InChIKey:NDNUANOUGZGEPO-QMMMGPOBSA-N", "SMILES:CCC[C@H]1CCCCN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2016643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKNHZPGPLNUEPC-UHFFFAOYSA-N", "SMILES:Nn1c(S)nnc1-c1ccccc1"], "chembl_natural_product": true}
{"name": "Trans-cinnamate 4-monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL2268005"], "id": "UniProtKB:Q43054", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:34292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2298980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILPHLPYGZQJHCR-KNTRCKAVSA-N", "SMILES:COc1cc(C(=O)/C=C/c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2299192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDIPVPSCFMPMAH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3ccccc3c(=S)o2)cc1"]}
{"name": "Lactoperoxidase", "xref": ["CHEMBL.TARGET:CHEMBL2295561"], "id": "UniProtKB:P80025", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2299190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKFKEOOIZEXNF-UHFFFAOYSA-N", "SMILES:S=c1oc(-c2cccc3ccccc23)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2299193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYTKNWYWECMBKN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3ccccc3c(=S)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJOXWLBJJPCFKK-FMQUCBEESA-N", "SMILES:O=C(/C=C/C(=O)N(Cc1ccccc1)c1ccc(Br)cc1)N(Cc1ccccc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDWFLABSYARTP-FMQUCBEESA-N", "SMILES:Cc1ccc(CN(C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(Br)cc2)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXVCUMPESHSJNI-FMQUCBEESA-N", "SMILES:O=C(/C=C/C(=O)N(Cc1ccccc1)c1ccc(I)cc1)N(Cc1ccccc1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWYUXJKKQNHIX-FMQUCBEESA-N", "SMILES:Cc1ccc(CN(C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(I)cc2)c2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2295846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJUDYRZNTVYIGA-FMQUCBEESA-N", "SMILES:O=C(/C=C/C(=O)N(Cc1ccccc1)c1ccc(F)cc1)N(Cc1ccccc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJFQHAIHDSGOBF-FMQUCBEESA-N", "SMILES:Cc1ccc(CN(C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZPMLNYYWTTFK-FMQUCBEESA-N", "SMILES:O=C(/C=C/C(=O)N(Cc1ccccc1)c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDSSOYNXARFJZ-FMQUCBEESA-N", "SMILES:Cc1ccc(CN(C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVVNXVKGNVQBA-QURGRASLSA-N", "SMILES:Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/C(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZJXJPNXBUNVQR-QURGRASLSA-N", "SMILES:Cc1ccc(CN(C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDVATNLINUDEM-WCWDXBQESA-N", "SMILES:CCOc1ccc(N(Cc2ccccc2)C(=O)/C=C/C(=O)N(Cc2ccccc2)c2ccc(OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEVMEDTWOLADBC-WCWDXBQESA-N", "SMILES:CCOc1ccc(N(Cc2ccc(C)cc2)C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWUXKSLUDPRQOL-QURGRASLSA-N", "SMILES:COc1ccc(N(Cc2ccccc2)C(=O)/C=C/C(=O)N(Cc2ccccc2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOKXCTYFHTOAR-QURGRASLSA-N", "SMILES:COc1ccc(N(Cc2ccc(C)cc2)C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBQJYNQHILHUMK-WCWDXBQESA-N", "SMILES:CCc1ccc(N(Cc2ccccc2)C(=O)/C=C/C(=O)N(Cc2ccccc2)c2ccc(CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGUZSNDQJQROZ-WCWDXBQESA-N", "SMILES:CCc1ccc(N(Cc2ccc(C)cc2)C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVFWOOVIZYTMI-QURGRASLSA-N", "SMILES:O=C(/C=C/C(=O)N(Cc1ccccc1)c1ccccc1)N(Cc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLJKIYWSQACLG-UHFFFAOYSA-N", "SMILES:Ic1ccc(NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCDMONPQLQBSA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUGAUNYDBPMQY-UHFFFAOYSA-N", "SMILES:Fc1ccc(NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCGKEBAELVFTEG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZLKZLKCCRFAAE-UHFFFAOYSA-N", "SMILES:Brc1ccc(NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1993147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJKFEXKYOWOJPT-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMEIYVXPSXIGET-UHFFFAOYSA-N", "SMILES:Clc1ccc(NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBOTWDYNFJHNQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237424", "category": ["biolink:ChemicalEntity"], "name": "N-BENZYL-4-METHYLANILINE", "xref": ["InChIKey:KEVOWRWHMCBERP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEZWNFUVMREVTR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAUVBVZMMZMKSQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEHGKIJRHQCNPI-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NCc2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237233", "category": ["biolink:ChemicalEntity"], "name": "N-BENZYL-4-METHOXYANILINE", "xref": ["InChIKey:LIJJGMDKVVOEFT-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNTCVDXWYBHGBH-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPODACDMVTDPU-UHFFFAOYSA-N", "SMILES:CCc1ccc(NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANBQUSKDOSQIN-UHFFFAOYSA-N", "SMILES:CCc1ccc(NCc2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237223", "category": ["biolink:ChemicalEntity"], "name": "N-BENZYLANILINE", "xref": ["InChIKey:GTWJETSWSUWSEJ-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXLYNJCGQGQHT-WOJGMQOQSA-N", "SMILES:COc1ccc2nc(/N=C/c3ccc(N(C)C)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL537", "category": ["biolink:ChemicalEntity"], "name": "HYDROQUINONE", "xref": ["InChIKey:QIGBRXMKCJKVMJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(O)cc1"], "synonym": ["Hydroquinone", "Hydroquinone", "Hydroquinone", "Hydroquinone", "CHEBI:17594", "CHEMBL537", "NCI-C55834", "NSC-9247", "Black and white bleaching cream", "Eldopaque forte", "Eldoquin forte", "Hydroquinone component of tri-luma", "Solaquin forte"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL64286", "category": ["biolink:ChemicalEntity"], "name": "N-P-COUMAROYL TYRAMINE", "xref": ["InChIKey:RXGUTQNKCXHALN-BJMVGYQFSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)cc1"], "synonym": ["Trans-N-Hydroxycinnamoyltyramine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2296788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUJJPCTENPKOE-XBXARRHUSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2297055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPGIUUANVCQFU-BOSPYUDASA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2234989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGQUMXNRYULMG-CEUCYRDJSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL66879", "category": ["biolink:ChemicalEntity"], "name": "COUMARIC ACID", "xref": ["InChIKey:NGSWKAQJJWESNS-ZZXKWVIFSA-N", "SMILES:O=C(O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2387036", "category": ["biolink:ChemicalEntity"], "name": "DIHYDRO-12-HYDROXY-2,2-DIMETHYL-2H,6H-PYRANO[3,2-B]XANTHEN-6-ONE", "xref": ["InChIKey:MLFQPQKMYSPJGK-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2cc3c(=O)c4ccccc4oc3c(O)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2297450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNAAJZAXIAJHN-UHFFFAOYSA-N", "SMILES:COc1cc(C2Oc3ccc4c(=O)c5ccccc5oc4c3OC2CO)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446323", "category": ["biolink:ChemicalEntity"], "name": "3,4-DIHYDROXYXANTHONE", "xref": ["InChIKey:YFVCSEXMOBEPQB-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2c(O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2297451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDBLKQQNHFWWHC-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2ccc(O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2298385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCLFOJXUWXDVPT-YSSPPYOFSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2298386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEKQLDHWWBDTMG-ARLQZARQSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)[C@H]1CCCN1)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2298384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMTJNHOQYCVQSV-IJLQJTNDSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2297859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRFFDXSUKAISV-DHRITJCHSA-N", "SMILES:O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cc(Br)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2298000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFDBPPKSYZYNH-UHFFFAOYSA-N", "SMILES:Brc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL130835", "category": ["biolink:ChemicalEntity"], "name": "PIPERTRAMINE AMIDE", "xref": ["InChIKey:UWKMFEOQWPCWLU-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127273", "category": ["biolink:ChemicalEntity"], "name": "PIPERTRAMINE", "xref": ["InChIKey:HECAWZFPXYNICY-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909373", "category": ["biolink:ChemicalEntity"], "name": "GW701427A", "xref": ["InChIKey:LIRNSPSAYSNIME-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(C(=O)O)c4)cc3)ccc2[nH]1.Cl"]}
{"name": "Coelenterazine h 2-monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL2303641"], "id": "UniProtKB:P27652", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6136"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGKSMKAYKZSBC-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cccc(Cl)c2)=C1Nc1ccc(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL157258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLELAEGDEATZFN-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXSVTAXFAAJTE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2062290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHQZRNVMNTCAO-UHFFFAOYSA-N", "SMILES:CCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["SB-739245AC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257113", "category": ["biolink:ChemicalEntity"], "name": "GW734508X", "xref": ["InChIKey:LOQFPSAYBYTGOA-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2cccc(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103115", "category": ["biolink:ChemicalEntity"], "name": "GW831091X", "xref": ["InChIKey:QVUJFGWIMPTAEH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2cc(-c3ccc(O)c(F)c3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479079", "category": ["biolink:ChemicalEntity"], "name": "GW612286X", "xref": ["InChIKey:SQQAPOSROFWHIB-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL477069", "category": ["biolink:ChemicalEntity"], "name": "GSK-1173862A", "xref": ["InChIKey:LZOWLPPKVLNYEG-UHFFFAOYSA-N", "SMILES:CCCN1CCCC(c2ccc(Nc3nc(Nc4cc(F)ccc4C(N)=O)c4cc[nH]c4n3)c(OC)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDUEISTJMYVSO-UHFFFAOYSA-N", "SMILES:NCc1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517907", "category": ["biolink:ChemicalEntity"], "name": "GW680191X", "xref": ["InChIKey:WLLKPDBSPXZCTG-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3ccc(OCCCCNCCS(C)(=O)=O)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212250", "category": ["biolink:ChemicalEntity"], "name": "GW615311X", "xref": ["InChIKey:JLBVWHHVKVXOOR-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCOCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVSGFNAEUPRUIM-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3c(-c4ccncc4)nc(-c4ccc([S+](C)[O-])cc4)n3C)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524901", "category": ["biolink:ChemicalEntity"], "name": "GW683109X", "xref": ["InChIKey:ZRWNCIWVANTRGL-UHFFFAOYSA-N", "SMILES:c1cnn2ncc(-c3ccnc(NCCCN4CCOCC4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441702", "category": ["biolink:ChemicalEntity"], "name": "GSK-270822A", "xref": ["InChIKey:ODLNBFNBEPOFNC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc3ccccc3c2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVKSDCWJDOWNE-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2nc(-c3ccc(O)cc3)c(Br)cc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYIIVRZXLZJER-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccccc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL95502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJUCFIPZAVTEU-UHFFFAOYSA-N", "SMILES:CC1(C)CC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270164", "category": ["biolink:ChemicalEntity"], "name": "GW607117X", "xref": ["InChIKey:PMMLSQFPBFKLHH-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4cccc(C#N)c4)cc3)c2)o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1909405", "category": ["biolink:ChemicalEntity"], "name": "GW618013A", "xref": ["InChIKey:VXXRMUXEIWYVDP-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(C(F)(F)F)ccc23)n1.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517507", "category": ["biolink:ChemicalEntity"], "name": "GW782912X", "xref": ["InChIKey:RPNGVORGBYYVHT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65884", "category": ["biolink:ChemicalEntity"], "name": "GW817396X", "xref": ["InChIKey:RAOQCDVBADRLDK-AUEPDCJTSA-N", "SMILES:COc1cccc(-n2ncc3c(N/N=C/c4ccc(F)cc4)ncnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458438", "category": ["biolink:ChemicalEntity"], "name": "GSK-1511931A", "xref": ["InChIKey:PEPOAPKYASCEKL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2cccc3ncccc23)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409892", "category": ["biolink:ChemicalEntity"], "name": "GW305178X", "xref": ["InChIKey:KFUHNOUIIKZZNO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C2\\C(=O)Nc3ccc4ncccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909352", "category": ["biolink:ChemicalEntity"], "name": "GW441806A", "xref": ["InChIKey:LUZCFTLMLBCTTK-BJILWQEISA-N", "SMILES:Cc1cc(O)cc(C)c1/C=C/c1cncc(-c2nn[nH]n2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270054", "category": ["biolink:ChemicalEntity"], "name": "GW280670X", "xref": ["InChIKey:OSOOMYVRUVOQLW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C2\\C(=O)Nc3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2062289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBCMENLQMHIZRZ-UHFFFAOYSA-N", "SMILES:CCN1CCC(CC(=O)Nc2n[nH]c3nnc(-c4cccc(F)c4F)cc23)CC1.O=C(O)C(O)C(O)C(=O)O"], "synonym": ["SB-698596AC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230911", "category": ["biolink:ChemicalEntity"], "name": "GSK-625137A", "xref": ["InChIKey:KDDJEKWJEFRYAO-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccncc2)cc(-c2ccccc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485598", "category": ["biolink:ChemicalEntity"], "name": "GSK-317354A", "xref": ["InChIKey:VTWIDKVFGFLBGO-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C(F)(F)F)nc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268885", "category": ["biolink:ChemicalEntity"], "name": "GSK-711701A", "xref": ["InChIKey:PGMGCWOOCLJXIF-UHFFFAOYSA-N", "SMILES:COc1c(C(N)=O)cc(-c2ccc(Cl)cc2)cc1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL417804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWJYCCSHANDCO-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKMVOBFZFANXPT-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUMKIMOEUHNPB-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc4c(c3)OCO4)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQDKMDAORZIMZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFDZGOPEFRPFRE-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1OCCSc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJDCSAVGZDAQR-UHFFFAOYSA-N", "SMILES:Cc1cccc(OCCSc2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1563710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYUFQWEHMSHIX-UHFFFAOYSA-N", "SMILES:c1ccc(OCCSc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJDNHGXNNRLIGA-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCc1c[nH]c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUBNKMCUAWHKC-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCS(=O)(=O)N1CCC[N+](C)(C)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SODDFOPCMXRWFM-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)N1CCC[N+](C)(C)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQABNTFUSIHBOM-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCS(=O)(=O)N1CCC[N+](C)(C)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTHAFHPQISBNW-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCCCCC(=O)N1CCC[N+](C)(C)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIIOBYWLAPWNMZ-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCC(=O)N1CCC[N+](C)(C)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDMWVUMCQQBQK-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCC(=O)N1CCC[N+](C)(CC)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORAROSKTMXCNRK-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCC(=O)N1CCC[N+](C)(Cc2cccc([N+](=O)[O-])c2)CC1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAIBFUMUNAQKMA-UHFFFAOYSA-M", "SMILES:C=CC[N+]1(C)CCCN(C(=O)CCCCCCCCCCCCC)CC1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBZTOANMHXRAL-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCC(=O)N1CCC[N+](C)(Cc2ccccc2)CC1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMTSQFDPHNZPKU-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCC(=O)N1CCC[N+](C)(C)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316207", "category": ["biolink:ChemicalEntity"], "name": "FS-694", "xref": ["InChIKey:JWZSSEWMVYKYKW-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)c(NC(=O)c4ccccc4)c3)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NELOPHGKEYQQOV-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTOJXMDPTUNFMC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUCAMVYPUSMDPX-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBNHATHKLISCCY-UHFFFAOYSA-N", "SMILES:CCCC(C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNAMZJKBWQXJQU-UHFFFAOYSA-N", "SMILES:CCCC(C)C(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWMAESMAPTEEP-UHFFFAOYSA-N", "SMILES:CCCCNC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(N)cc4)ccc2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCNQHCDQMPPGD-HNENSFHCSA-N", "SMILES:O=C(O)Cc1cs/c(=N\\C(=O)CS(=O)(=O)Cc2ccc3ccccc3c2)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJIVRKPEXXHNJT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQVKRKGTAUJQA-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(Cl)c2ccccc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2313520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGNMEAIKYCZDE-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQOBBOXCXWMDE-UHFFFAOYSA-N", "SMILES:CCC(CC)(CC)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313446", "category": ["biolink:ChemicalEntity"], "name": "4-Triethylgermylphenol"}
{"id": "CHEMBL.COMPOUND:CHEMBL2313445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZNAHGCLIXTFM-UHFFFAOYSA-N", "SMILES:CC[Si](CC)(CC)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2314388", "category": ["biolink:ChemicalEntity"], "name": "sulfated pentagalloylglucoside", "xref": ["InChIKey:AAZYDAGCBDJRKP-PNYMVMIBSA-D", "SMILES:O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(OS(=O)(=O)[O-])c(O)c(OS(=O)(=O)[O-])c2)[C@H](OC(=O)c2cc(OS(=O)(=O)[O-])c(O)c(OS(=O)(=O)[O-])c2)[C@@H](OC(=O)c2cc(OS(=O)(=O)[O-])c(O)c(OS(=O)(=O)[O-])c2)[C@@H]1OC(=O)c1cc(OS(=O)(=O)[O-])c(O)c(OS(=O)(=O)[O-])c1)c1cc(OS(=O)(=O)[O-])c(O)c(OS(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJGTUKMAJVCBIS-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1"]}
{"name": "Transitional endoplasmic reticulum ATPase", "xref": ["CHEMBL.TARGET:CHEMBL1075145"], "id": "UniProtKB:P55072", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMSSKLQGMNXNR-UHFFFAOYSA-N", "SMILES:CC(C)Sc1nnc(COc2ccccc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLNFUWCKPSFXST-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2314710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKVXBPOFPTXNZ-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)ccc1O)c1coc2ccc(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2311988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMGFUDREZLTTEO-UHFFFAOYSA-N", "SMILES:NCCOc1ccc2sc3ccc(OCCN)cc3c(=O)c2c1"]}
{"name": "Endoribonuclease Dicer", "xref": ["CHEMBL.TARGET:CHEMBL2311232"], "id": "UniProtKB:Q9UPY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISNKDIPANKRXLQ-UHFFFAOYSA-N", "SMILES:NCCOc1ccc2oc3ccc(OCCN)cc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSXRMYCRNAHEJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(OS(=O)(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSFLUWZGWMFOC-UHFFFAOYSA-N", "SMILES:N#Cc1c(SCC(=O)c2cccc(OS(=O)(=O)O)c2OS(=O)(=O)O)nc([N+](=O)[O-])c(C#N)c1-c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDWIPZHANLQVMF-RDJZCZTQSA-N", "SMILES:O=C(NC[C@@H]1CC(Br)=NO1)[C@@H]1CCCN1C(=O)OCc1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVWCNOQZDSSIG-UHFFFAOYSA-N", "SMILES:COc1cccc(COC(=O)c2sc3ccccc3c2OC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXVKNXNCCZXMQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYSZDGRYJADZAK-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIHOPWMFPQWRBK-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cc1ccccc1)Oc1ccc(-c2ccccc2CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSHTCPHQZNNOT-UHFFFAOYSA-N", "SMILES:CCCCCc1ccccc1-c1ccc(OC(Cc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQZHGVRISATOSM-UHFFFAOYSA-N", "SMILES:CCCc1ccccc1-c1ccc(OC(Cc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZFNUULAZCXCA-HSZRJFAPSA-N", "SMILES:CC(C)c1ccccc1-c1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZFNUULAZCXCA-QHCPKHFHSA-N", "SMILES:CC(C)c1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGGRBJZCUULLTI-UZXVECFESA-N", "SMILES:CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@@H]1C(=O)NCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSUFYWDDGAKRPT-NVQOMKKLSA-N", "SMILES:CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@]1(C)C(=O)NCCC(=O)O"]}
{"name": "Integrin alpha-L", "xref": ["CHEMBL.TARGET:CHEMBL1075188"], "id": "UniProtKB:P24063", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERAQZALGSPGCV-SASYTRDLSA-N", "SMILES:CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@@H]1C(=O)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUELQTGWYFWOJC-POVNMVQCSA-N", "SMILES:CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N(C(=O)CN)[C@]1(C)C(=O)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOCABMFVYARMW-BAWNTXPRSA-N", "SMILES:CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@@H]1C(=O)NCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKTQCNRQDSRVTE-PWSGGEEBSA-N", "SMILES:CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@]1(C)C(=O)NCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGCHLPWBQJVIA-VZRADHSASA-N", "SMILES:CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@@H]1C(=O)NCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNZKSFDPIUDSQY-XJIXUFHVSA-N", "SMILES:CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@]1(C)C(=O)NCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALGIMSOSPFMUHU-TXDVSOHRSA-N", "SMILES:CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@]1(C)C(=O)NCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHLWPVBBLIGJV-XYJFISCASA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(-c2ccccc2)no1)CP(=O)(O)c1ccc(Br)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBMEHOLQJITJI-LEOXJPRUSA-N", "SMILES:NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cc(-c2ccccc2)no1)CP(=O)(O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIUMDGLYGBIKBM-SFYKDHMMSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1)CP(=O)(O)c1ccc(Br)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUCPHGSAFOJAU-MGONOCMRSA-N", "SMILES:NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1)CP(=O)(O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROUHUVHINHWNOK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2CC(c3cc(Cl)sc3SCc3ccccc3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQAYYDKEDCYYMN-HNNXBMFYSA-N", "SMILES:COC[C@H](C)Oc1cc(CCc2c(F)cccc2F)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKASSNVNXOWYDK-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)c3ccc(C(=O)N4CCCN(C5(c6ccc(Oc7ccccc7)cc6)C(=O)NC(=O)NC5=O)CC4)cc3)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNFBXKUCFOQRQ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)CCCCCCCCC(=O)N3CCCN(C4(c5ccc(Oc6ccccc6)cc5)C(=O)NC(=O)NC4=O)CC3)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYRSIRCJLISGFP-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)CCCCCC(=O)N3CCCN(C4(c5ccc(Oc6ccccc6)cc5)C(=O)NC(=O)NC4=O)CC3)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUSESRFPXTJLY-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)CCCCC(=O)N3CCCN(C4(c5ccc(Oc6ccccc6)cc5)C(=O)NC(=O)NC4=O)CC3)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATUMTIXUAJCSA-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)CCCC(=O)N3CCCN(C4(c5ccc(Oc6ccccc6)cc5)C(=O)NC(=O)NC4=O)CC3)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHKLGXHLOXCURO-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)CCC(=O)N3CCCN(C4(c5ccc(Oc6ccccc6)cc5)C(=O)NC(=O)NC4=O)CC3)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZSUROZICPQPN-GMTAPVOTSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@H](O)[C@@H](S)C(=O)O)C(=O)NCCCCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXCBAZUXWWKMNG-FMIVXFBMSA-N", "SMILES:CCCCS(=O)(=O)/C=C/C1C2C=CC(C2)C1S(=O)(=O)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGRNMOAKCJNEC-AYSLTRBKSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCN(C/C=C/S(=O)(=O)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNDYKMDVGHMMH-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)NC1(C)C#N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3706634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXSYGQITWVVSLC-XLNRJJMWSA-N", "SMILES:NC(=S)N/N=C(/CC(C(=O)O)c1c[nH]c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXCOVEDPUDBTMM-CJLVFECKSA-N", "SMILES:CC/C(=N\\NC(N)=S)c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJPURMCCPUZLR-RIYZIHGNSA-N", "SMILES:C/C(COc1ccc(-c2csnn2)cc1)=N\\NC(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLVZLBLPPGPPA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC23SCC(=O)C2CCc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFCUVDCJHZJRGT-BOPFTXTBSA-N", "SMILES:C/C(=N/NC(N)=S)c1ccc(Sc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVNDKNIMYOOLND-GHRIWEEISA-N", "SMILES:C/C(=N\\NC(N)=S)C1CCCCCCCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNMLLSNSUDHLNN-DQGRHAAVSA-N", "SMILES:COC(=O)c1ccc(COc2ccc(/C=C/C(C)=N/NC(N)=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1620957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBUNINLCYYMMCX-UHFFFAOYSA-N", "SMILES:O=C1C2CCN(CC2)C1Cc1ccc(OCCOc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQINBAFGCQXUBM-GTDURTQESA-N", "SMILES:C/C(=N\\NC(N)=S)[C@]1(C)C[C@]2(CC(C)(C)OC2=O)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1419509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVTAHTNUNZEDPX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C(=O)OCC)N(C#N)c1nc(OC)nc(N(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQGAGIHLQFSHML-CLIDGEQKSA-N", "SMILES:NC(=S)N/N=C(/CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccc(-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1355124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFRVQFKBHAWED-UHFFFAOYSA-N", "SMILES:N#Cc1nc(N2CCCC2)nc(N(c2ccccc2)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTIRHOCYWDBJQI-NVNXTCNLSA-N", "SMILES:C/C(=N/NC(N)=S)c1csc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFHRTZIHJCXEI-UHFFFAOYSA-N", "SMILES:O=C1C2CCN(CC2)C1CSc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMBZHALXJHWRA-KAMYIIQDSA-N", "SMILES:CCCCCCC1=Cc2c/c(=C(\\C)NNC(N)=S)c(=O)oc2=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLQGRXWIAWIVKN-KGVSQERTSA-N", "SMILES:Cc1ccc(S(=O)(=O)/C=C/CS(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBCCNMDXOPPQRI-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(C#N)nc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQDHVLNGJKPNDU-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(N(C)C)nc(N(C#N)CCOc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464381", "category": ["biolink:ChemicalEntity"], "name": "PALINURIN", "xref": ["InChIKey:UXFNAATUJSSAHF-SZWANQOLSA-N", "SMILES:CC1=C(O)[C@@H](C/C(C)=C/CCC(C)/C=C/C=C(\\C)CCCc2ccoc2)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2316958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNUPKDFXMWRFP-UHFFFAOYSA-N", "SMILES:CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIBVAVXYSKQBW-CSSXWCHRSA-N", "SMILES:CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIBVAVXYSKQBW-FZFRBNDOSA-N", "SMILES:CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZWZVLPIMHLSE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)n2cc(C)cc2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDIQQHCASCXJF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(Nc2cc(Cl)ccc2Cl)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPHOZWFSFNOEQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2c(C)cc(C)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIODYGOZWZNCAG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL367966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFUWDCWLWBDJD-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXUABHQJLMTQC-ZBFHGGJFSA-N", "SMILES:CCCSC(=O)N1C[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIWTLBPGJGJKC-ZBFHGGJFSA-N", "SMILES:C=CCOC(=O)N1C[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHUPRJHEOIZLO-UHFFFAOYSA-N", "SMILES:N[n+]1ccn(-c2ncc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCKCUTSAAUXUOC-UHFFFAOYSA-N", "SMILES:N#CCNCc1cc([N+](=O)[O-])c2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGJPENVWCVSRKV-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3ccc(NC(=O)C(=O)O)cc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTINZRHWKIEEPU-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2c(c3ccc(C#N)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RELKEXAVGWSFCU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2cc(I)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADPVBVVWMQETHS-UHFFFAOYSA-N", "SMILES:COc1cccc2c1-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSWLEUZIXJPTF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWMIPWLLAVVHDH-UHFFFAOYSA-N", "SMILES:NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOAYPDBWARPQHP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCBr)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGVZSJHSDLYIN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCn1ccnc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPHNGDBSNKQECL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN)C2=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUKDGEDYLBGBJQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN1CCOCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQVWPZPBKLGGKL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c3c(n(CCCN=[N+]=[N-])c(=O)c2c1)-c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRORVRSZQOTNEV-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKRHNGUSKPPKU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c3c(n(CCCn4ccnc4)c(=O)c2c1)-c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZBCOKCSHBGUCP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c3c(n(CCCN4CCOCC4)c(=O)c2c1)-c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQANUQAHLBEXHV-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2c(c3ccc(C#N)cc3c1=O)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSLXGWLJMBQRN-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360055", "category": ["biolink:ChemicalEntity"], "name": "GALLAMINE", "xref": ["InChIKey:OZLPUNFFCJDMJD-UHFFFAOYSA-N", "SMILES:CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC"], "synonym": ["Gallamine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL2315675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNVDXZOLDWJKU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQXMJDWMYSYTFP-SFHVURJKSA-N", "SMILES:CCOC(=O)N1CCC(N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPJNNOSVCHYOU-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSUIZKGNWELRF-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMKACOPNIVQTHQ-UHFFFAOYSA-N", "SMILES:N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPAOZPHKRKDHOJ-REUBKWHVSA-N", "SMILES:COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c(OC)c2)ccc1O"]}
{"name": "D-3-phosphoglycerate dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL2311243"], "id": "UniProtKB:O43175", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCHIPOIIKLKKA-OCEACIFDSA-N", "SMILES:CN(C)c1ccc(/N=N/c2nc(OCc3ccccc3)c3nc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYCLMGBKCGPNT-ZQHSETAFSA-N", "SMILES:CN1CCN(c2ccc(/N=N/c3nc(OCc4ccccc4)c4nc[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABIVOOWWGYJNLV-SNVBAGLBSA-N", "SMILES:NC(=O)[C@@H]1CCCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZXMHNWOQQFBC-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2cccc3c2Nc2ccccc2S3(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYCYTPLQSNKKW-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cccc3c(=O)c4ccccc4[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACDIXJCHQOMRJL-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2cccc3c(=O)c4ccccc4[nH]c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374146", "category": ["biolink:ChemicalEntity"], "name": "CYNAROPICRIN", "xref": ["InChIKey:KHSCYOFDKADJDJ-NQLMQOPMSA-N", "SMILES:C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2322708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZVGIXYFOOWKJ-ZMZPIMSZSA-N", "SMILES:C[C@@H]1CN(c2ccc(C(N)=O)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZVGIXYFOOWKJ-ADLMAVQZSA-N", "SMILES:C[C@@H]1CN(c2ccc(C(N)=O)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNFJBFJVVUHWJK-SZKNIZGXSA-N", "SMILES:Cc1ccc2nc(/C=C/c3ccc(N)cc3)ccc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNQMBCFAIDSPX-WEVVVXLNSA-N", "SMILES:Cc1ccc2nc(/C=C/c3ccc(N)cc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPQVJHSANOFMR-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(COc2ccc(N=[N+]=[N-])cc2CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1"]}
{"name": "NPC intracellular cholesterol transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL2321610"], "id": "UniProtKB:O35604", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZDGTFNTXVLBQQ-UHFFFAOYSA-N", "SMILES:O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSISWIVDFITFKQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(COc2ccccc2CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPSWCQXSBZPEJ-UHFFFAOYSA-N", "SMILES:O=C(CC12CC3CC(CC(C3)C1)C2)NCCC(=O)N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLNQDHOHVKLMNY-UHFFFAOYSA-N", "SMILES:O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2)CC1"]}
{"name": "NPC intracellular cholesterol transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL1293277"], "id": "UniProtKB:O15118", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323582", "category": ["biolink:ChemicalEntity"], "name": "BODILISANT", "xref": ["InChIKey:HPRWHXGAJGUOCP-UHFFFAOYSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFEPFSNOLGZHBN-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)c1ccccc1c[n+]2C.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWJMOBMFSATPX-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)c[n+](C)c1ccc(OC)cc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGIUNMXTMOHFV-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)c1cc3c(cc1c[n+]2C)OCO3.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHKGONSIUTIEJ-UHFFFAOYSA-N", "SMILES:C[n+]1cc2cc3c(cc2c2cc(O)ccc21)OCO3.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253553", "category": ["biolink:ChemicalEntity"], "name": "LYCOBETAINE", "xref": ["InChIKey:DFQOXFIPAAMFAU-UHFFFAOYSA-O", "SMILES:Oc1cc2c3c(c1)c1cc4c(cc1c[n+]3CC2)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2323149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCTHTKGXQKHPOX-UHFFFAOYSA-M", "SMILES:COc1ccc2c[n+](C)c3ccc(OC)cc3c2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSDKYFNRTYDTSU-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)c1cc(OC)c(OC)cc1c[n+]2C.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOPDPMYYWQANBR-UHFFFAOYSA-M", "SMILES:C[n+]1cc2cc3c(cc2c2ccccc21)OCO3.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MERSUOBLGHVBNR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c[n+](C)c1ccc(O)cc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHXAICRBUSYDST-UHFFFAOYSA-N", "SMILES:COc1cc2c[n+](C)c3ccc(O)cc3c2cc1OC.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXUBGRRJTVFCFV-XVVYLEPSSA-N", "SMILES:O=C(/C=C(O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)/C=C/c1ccc(O)c(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYDVQGBOHGPOJI-LJFKNHCYSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2cc(I)c(O)c(OC)c2)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFFJMPAOJWWEKY-XVVYLEPSSA-N", "SMILES:O=C(/C=C(O)/C=C/c1ccc(O)c(Br)c1)/C=C/c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVSGYTBRYSHWLD-LJFKNHCYSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2cc(Br)c(O)c(OC)c2)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQBXXMIPVBEHLH-XVVYLEPSSA-N", "SMILES:O=C(/C=C(O)/C=C/c1ccc(O)c(Cl)c1)/C=C/c1ccc(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHOUBNQJDJVGE-LJFKNHCYSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2cc(Cl)c(O)c(OC)c2)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTMRHGYQCMNCZ-SSZFMOIBSA-N", "SMILES:COc1cc(CCC(=O)/C=C(\\O)CCc2ccc(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2323719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNOXEXXOZFMMFW-LJFKNHCYSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2cc(F)c(O)c(OC)c2)cc(F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKNZADDJHLWOFO-OAHLLOKOSA-N", "SMILES:Clc1ccc(C2=NO[C@H](Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBVNJUSEHGABZ-MRXNPFEDSA-N", "SMILES:COc1ccc(C2=NO[C@H](Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLRIDIOCCNJAD-HVRMQOCCSA-N", "SMILES:N#[14C]c1ccc(C2=NOC(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWQAYVPGWSRNKH-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2=NN(c3ccccc3)C(c3ccc4ccccc4c3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMAIBGHDBYQYDI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2occc2[nH]1"], "chembl_natural_product": true}
{"name": "D-amino-acid oxidase", "xref": ["CHEMBL.TARGET:CHEMBL5485"], "id": "UniProtKB:P14920", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150372", "category": ["biolink:ChemicalEntity"], "name": "3-HYDROXYCOUMARIN", "xref": ["InChIKey:MJKVTPMWOKAVMS-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL164585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNVOMSDITJMNET-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccsc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2324852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFUFVBXPLWNBK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(s1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFRBKWVGXJXQNV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDKPGYQHUNSQQQ-UHFFFAOYSA-N", "SMILES:COC(=O)C1=CN(Cc2ccc(C)cc2)C=CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPBHBDWVKFSNA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccc(C)cc2)C=CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHOPQGDFKBGTKG-JFTMEFNRSA-N", "SMILES:Cl.O=C1/C(=C/c2ccccc2)CN(C(=O)c2ccc(OCCN3CCOCC3)cc2)C/C1=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGDDUGXMQAKTHF-LXAQYQKPSA-N", "SMILES:CN(C)CCOc1ccc(C(=O)N2C/C(=C\\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYXJGNUHXUIEQM-MOAULALOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/S(C)(=O)=O)Cc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILAPBGOMWKEPQX-ODYBPYSZSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(CCCCc1cn([C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/S(C)(=O)=O)Cc3ccc(CN)cc3)nn1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCAFZHFLIBYWGO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZFCWIUTEAEDBN-FWSGGDPPSA-N", "SMILES:CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2321943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJSIZYRDXXXND-LBPRGKRZSA-N", "SMILES:COc1cc2c(cc1Oc1ccccc1)C[C@H](N)C(=O)N2O"]}
{"name": "Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2046259"], "id": "UniProtKB:Q8N5Z0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2321944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBQSWIQOSRUIK-ZDUSSCGKSA-N", "SMILES:N[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2049092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTOYJWLYYMSLDG-QMMMGPOBSA-N", "SMILES:COc1ccc2c(c1)N(O)C(=O)[C@@H](N)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYTRYTZFJVVZAF-ZETCQYMHSA-N", "SMILES:N[C@H]1Cc2ccccc2N(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URQZAWXPNLXLOK-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCc1ccccc1)Oc1cccc(N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMSYCQUAMMCEU-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccn(-c2cccc(N3CCN(CCCCCCc4ccccc4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKVAIMYYCZDLI-MCPYQZEQSA-N", "SMILES:COc1cc(O)c(C(CC(=O)N2C[C@H](C)C[C@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1"]}
{"name": "Nuclear receptor ROR-gamma", "xref": ["CHEMBL.TARGET:CHEMBL1293231"], "id": "UniProtKB:P51450", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2321925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRMVLMCLSDUYOK-ODHHTFEASA-N", "SMILES:CCC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOCGHYIPZDZBAO-UHFFFAOYSA-N", "SMILES:NCc1ccc(CNC(=O)Cc2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMJVBOEXNWPOG-UHFFFAOYSA-N", "SMILES:NCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBGLUXQASNAMOM-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCCCCCNC(=O)CCn4cc(CCN)c5cc(O)ccc54)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMIUOILMANDNSR-LMQSXIAWSA-N", "SMILES:CCOC(=O)C(Cc1ccc(C#CCCCC[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVBSYBFWHRYTSH-FWUQEANESA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc(CN5CCCCC5)cc4)[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTNKXOQSZYRNO-JREWWFGGSA-N", "SMILES:CCOC(=O)CC(=O)c1ccc(C#CCCCC[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWWNFHKDBPGHSM-XSPJCTAZSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc5ccccc5c4)[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPJWYKWACPRGL-GDOMDJCBSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc(-n5cccc5)cc4)[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWCSWPAAFIXQFA-GWCQTFJGSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCc4cn(CC5COc6ccccc6O5)nn4)[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPLWXUBAJNIFDO-UGVMDCGZSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCc4cn(-c5cc6ccc(O)cc6oc5=O)nn4)[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASVAJAKZUJMJRU-IKFDYBCKSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2ccc(C#CCCCC[C@@H]3Cc4cc(O)ccc4[C@H]4CC[C@]5(C)[C@@H](O)CC[C@H]5[C@H]34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTKBDYIATAATDW-SSRAHALTSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc(-c5ccno5)cc4)[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJSEDMAHNBNLY-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)O)cc2)n1CCCCCCn1cc(Cn2c(-c3ccc(OS(=O)(=O)O)cc3)nc3ccccc3c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGMIBYGNFHKNH-HEVIKAOCSA-N", "SMILES:CC(C)(C)OC(=O)n1cc(C[C@H](NC(=O)[C@H](Cc2ccc3c(c2)COP(=O)(O)O3)NC(=O)OCC2c3ccccc3-c3ccccc32)C(N)=O)c2ccccc21"]}
{"name": "SH2 domain-containing protein 1A", "xref": ["CHEMBL.TARGET:CHEMBL2321636"], "id": "UniProtKB:O60880", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNKQTOTKJYWGU-ACHIHNKUSA-N", "SMILES:NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSPUDSXKZRWBO-LQJZCPKCSA-N", "SMILES:CC(C)(C)Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc3c(c2)COP(=O)(O)O3)NC(=O)OCC2c3ccccc3-c3ccccc32)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWRLVMEEXNSIO-KYJUHHDHSA-N", "SMILES:NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFVSTCCZHGGTF-MJPWBCPGSA-N", "SMILES:NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIYQMIASWYFHLE-DQEYMECFSA-N", "SMILES:NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUHUKJWBCVFNK-COCZKOEFSA-N", "SMILES:NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMDPKADDGHJVPB-ZEQRLZLVSA-N", "SMILES:NC(=O)C[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBVOPGZDZNWRKJ-FNFCYJGBSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTAXCTKWHBAXSX-GCNYQIMJSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPIMWMPQPZRHOE-SVBPBHIXSA-N", "SMILES:CC(C)(C)OC[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIXWWEUUNWHPOO-ZEQRLZLVSA-N", "SMILES:NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCORDWETMLSPP-ZPGRZCPFSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](Cc2ccc3c(c2)COP(=O)(O)O3)NC(=O)OCC2c3ccccc3-c3ccccc32)C(N)=O)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVMJNWBAIJAWSL-UIOOFZCWSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRHGFGFWLZWMEQ-KYJUHHDHSA-N", "SMILES:CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPMDGNWJCWKDH-SVBPBHIXSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIHPPPLDJXPXLG-NSOVKSMOSA-N", "SMILES:CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRZHDZEAZOQEJ-DQEYMECFSA-N", "SMILES:NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLHRAOCERXTWLA-SVBPBHIXSA-N", "SMILES:CC(C)(C)OC(=O)C[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQDADQULDTORZ-ZEQRLZLVSA-N", "SMILES:NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHKQJFKQSCLAFG-KYJUHHDHSA-N", "SMILES:NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFBOPYQWWQEOE-UIOOFZCWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVQLOLQFRHQAS-UIOOFZCWSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJSVATWLIZSAY-SVBPBHIXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBFXONCZZBSAA-YFCOXDMTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPUXGPPTXYINMD-BDYUSTAISA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDRNGYCAYCHQNC-FYSMJZIKSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTPQZJWRZHTCSM-QHCPKHFHSA-N", "SMILES:NC(=O)CNC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHZZORCLQMMHIF-CONSDPRKSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYICYOLGMYRIMA-PXLJZGITSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYEPKKMHGOQACE-LQJZCPKCSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBITVYPELUFBQ-HEVIKAOCSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2321928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKIRDOUBFYPCKB-CONSDPRKSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYYHPDXYVEVOJ-CXNSMIOJSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAPZYKCUIJNNQY-UIOOFZCWSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CCC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRORMPMFJRGTOV-MJPWBCPGSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASGKESZFXKYWKT-DQEYMECFSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYIPJXRYFDDMRG-MATHUIJASA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLTYHOPSDHTAQS-ISCRSJHHSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAWWBDWWQIKCNI-NSOVKSMOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGLGYAULJNAFMY-DQEYMECFSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLWGWTCQZKAYTN-ZYBCLOSLSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMRQBZWNQNLJGH-NSOVKSMOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCLBLBVVQVALHQ-BCRBLDSWSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLPGJDZXXXUSOG-SVBPBHIXSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAVYHHKZLDCFKN-CONSDPRKSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLVWDQGNOPEHMX-NSOVKSMOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRIALJZZDIMNHH-VMPREFPWSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOQRZFXFGXVZSW-UIOOFZCWSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYSMJWYIVJDJF-NSOVKSMOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVNGFHQMYXYFNM-DQEYMECFSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADOFRUDOMVMDHC-CONSDPRKSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2327009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCBGWQVKLWYDA-SVBPBHIXSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CCSC)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXGCOZIJJNBMM-SVBPBHIXSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDYAIZROSCGQX-NSOVKSMOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPAIGIBVEALRBD-OGEURKDJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc2c(c1)COP(=O)(O)O2)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWPDJCHBOKLCC-XCZPVHLTSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTYOKYASGKCUNI-GKVSMKOHSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVOIHJLUTVPKC-DEOSSOPVSA-N", "SMILES:COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSPSNGRGTPWRHB-UHFFFAOYSA-N", "SMILES:O=C1CC2c3c(cccc31)CCN2C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F"]}
{"name": "Poly [ADP-ribose] polymerase 1", "xref": ["CHEMBL.TARGET:CHEMBL2321638"], "id": "UniProtKB:Q9R152", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWIZMEPNSZKHGD-UHFFFAOYSA-N", "SMILES:O=C1NCC2c3c(cccc31)CCN2C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QESQGTFWEQMCMH-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBSMHFFKPGLHAZ-FFAJQDNGSA-N", "SMILES:O=c1[nH]c(=O)c2[nH]c(=O)n(C[C@@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2[nH]1"]}
{"name": "Beta-1,4-galactosyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL3214"], "id": "UniProtKB:P08037", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITOFPJRDSCGOSA-KZLRUDJFSA-N", "SMILES:C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYKGAOPLXCEPT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C)c(CCC(=O)NS(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDOLIIHMVOZCMD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C)c(CCC(=O)O)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324200", "category": ["biolink:ChemicalEntity"], "name": "Tetra-iodophenolphthalein", "xref": ["InChIKey:FSEVMRBUPGTANR-UHFFFAOYSA-N", "SMILES:O=C1OC(c2cc(I)c(O)c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZKOMDWHRRVIDX-GKIXMTHWSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGQWZLZLZBCGY-MUUNZHRXSA-N", "SMILES:C#CCN(C)[C@H](C)Cc1ccc(OCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWGACCWJXAJASM-UHFFFAOYSA-N", "SMILES:O=C1CC(Cc2ccccc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNSJGJZRBGCVHQ-UHFFFAOYSA-N", "SMILES:CCNC(=O)OCc1c(COC(=O)NCC)c2n(c1C)Cc1c(c3ccccc3n1C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMQXHWFHWSAGQF-UHFFFAOYSA-N", "SMILES:Cc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMUQLAGEWYKTJ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1-n1c(C(F)(F)F)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL394855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWTDXYUDJYDHJR-QHHAFSJGSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1O)c1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1668051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJJRYFPXKQHIAS-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccc(O)cc1)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465194", "category": ["biolink:ChemicalEntity"], "name": "STEPPOGENIN", "xref": ["InChIKey:QBLQLKNOKUHRCH-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)cc2O)Oc2cc(O)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZRINUAYIPJNY-UHFFFAOYSA-N", "SMILES:Oc1cccc(C2CC(c3ccc(O)cc3O)=NN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVTZXKZZOVTPW-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2CC(c3ccc(O)cc3O)=NN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLYVYODJVSVBNF-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3ccc(O)cc3O)=NN2C(C)=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMRZTRKGKVEFJG-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(O)cc2O)CC1c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMFUGSGMITKLQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(O)cc2O)CC1c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRPRXRJPSHVHSV-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(O)cc2O)CC1c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL587615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPATPOMUCRCHO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNZAVVRITUBDN-ZLKPEWJRSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=N\\OCC(=O)NCCCC(=O)NCCCCNC(=O)CCS(=O)(=O)c2nnnn2CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPRMVKVMHZWJAC-ZLKPEWJRSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=N\\OCC(=O)NCCCC(=O)NCCCCNC(=O)CCSc2nnnn2CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336636", "category": ["biolink:ChemicalEntity"], "name": "PURGIN II", "xref": ["InChIKey:KBURMVDNPRIDQL-RBNNPITQSA-N", "SMILES:CCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]5[C@@H](O[C@@H]6O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)/C=C/c7ccccc7)[C@H]6O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H]7OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]7O[C@H]6C)[C@@H]5OC(=O)CCCCCCCCC)O[C@@H]4CO)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H]2C)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)/C=C/c3ccccc3)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2335742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQHNUCLXRFMSFN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332352", "category": ["biolink:ChemicalEntity"], "name": "ARGENTEOSIDE A", "xref": ["InChIKey:ZZKVGFZOAZLUDD-RHTHCOFHSA-N", "SMILES:O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)[C@H]1[C@H](C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCHGHMPHKCWLR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSMFHOVBQABMZ-VWKWMHJASA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIAOSVMITNWHAH-XDERILFOSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIAOSVMITNWHAH-HFASDWQVSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSMFHOVBQABMZ-RJILNQQKSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBPGLGPDPFXICV-YQOCYVMFSA-N", "SMILES:C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGFMOIZZDBILY-DMBLRCPMSA-N", "SMILES:C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYOGKEMLQNWNLK-JNAYRKKUSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGAQXKAFDAOXKW-FSYRHIKOSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYOGKEMLQNWNLK-AWIVKJGVSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGAQXKAFDAOXKW-GLWIQRGKSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL67511", "category": ["biolink:ChemicalEntity"], "name": "TRIFLUOROMETHANESULFONAMIDE", "xref": ["InChIKey:KAKQVSNHTBLJCH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRNWXFVQQFEKGP-KTDPBYDISA-N", "SMILES:Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWDJZOARTZSAE-SCVYSYFFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)c1cc(-c2sc(NC(=O)c3ccccc3)nc2C)n[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPGWXQYWPBVKD-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCC(=O)Nc4cccc(-c5ccc6c(c5)COC6(CCCN(C)C)c5ccc(F)cc5)c4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVEWCMSSGBBIIK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNCCCN(Cc2ccc(C(=O)O)cc2)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUHJRKFAHQXVTO-UHFFFAOYSA-N", "SMILES:CCOC(CNCc1ccc(C(F)(F)F)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADIYFUBJBILRA-BZDHPDOMSA-N", "SMILES:CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@]1(C(=O)O)C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIWQTYMXIIZNFR-KGYLXKDPSA-N", "SMILES:COC(=O)[C@]1(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O)C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTIGITGJYWNZHY-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYMGQTUHIDMGD-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1"], "synonym": ["NSC-749235"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDFKCHZSOIMMB-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCC(CCCC4CCNCC4)CC3)[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGLKJXIUGJVUHN-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3nc(CN4CCc5cc(OC)c(OC)cc5C4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEPKWVQZNBOVDX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1csc(-c3ccc4cc(Br)ccc4c3)n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSOXGSTUDJEIK-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3nc(CN4CCc5cc(OC)c(OC)cc5C4)co3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338554", "category": ["biolink:ChemicalEntity"], "name": "Symplostatin 5", "xref": ["InChIKey:KPKJQINJXGFAPS-NBGICTFWSA-M", "SMILES:C/C=C1\\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](COS(=O)(=O)[O-])OC)C(C)C)[C@@H](C)OC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O.[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2334673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPIDEDKBVOAJY-UHFFFAOYSA-N", "SMILES:F[B-]1(F)n2c(-c3ccccc3)cc(-c3ccccc3)c2NC2C(c3ccccc3)=CC(c3ccccc3)=[N+]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICCHQADFNLWJP-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(C(=O)O)c(O)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVXZNUPUXSBDS-YYSLAXLZSA-N", "SMILES:CCC(=C(c1ccc(OCCN2CCCC2)cc1)c1ccc(OCCN2CCCC2)cc1)c1cccc(OC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1"]}
{"name": "GRB10-interacting GYF protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2331055"], "id": "UniProtKB:Q6Y7W6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMKNVIKYVHLTO-LEWJYISDSA-N", "SMILES:O=C(Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16300", "category": ["biolink:ChemicalEntity"], "name": "BENZOHYDROXAMATE", "xref": ["InChIKey:VDEUYMSGMPQMIK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2333344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMUKJRPCVOESRU-UHFFFAOYSA-N", "SMILES:O=C(NO)C1=CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVWFSNDIULQQLV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNFBAYSBVQBKFR-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCOc3ccc(-c4ccc(N)nc4)cc3C2)ccc(S(C)(=O)=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYCAEIBKWUMND-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cc(-c2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHOMWNDJJGENGB-LSKAQUJHSA-N", "SMILES:CC(=O)NCC(=O)NC(CCCNC(=O)CCNC(=O)C(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)NC(=O)CNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)CCNC(=O)C(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)NC(=O)CNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)C(=O)NCCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGMRTGEBJPQMV-QRKMJYCCSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cn(CC(=O)NCCCC(CCCNC(=O)Cn2cc(CCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)nn2)(NC(=O)CNC(=O)Cn2cc(CCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)nn2)C(=O)NCCC(N)=O)nn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBDVVYNLLXGUGN-LVLULNROSA-N", "SMILES:CO[C@H]1[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)N[C@@H](C(N)=O)C(C)C)CO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2331636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAVGXPCETLAJFF-XGTBZJOHSA-N", "SMILES:CO[C@@H]1[C@H](OC(=O)N[C@@H](C(N)=O)C(C)C)CC[C@](O)(CCl)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGXPNYSRAOOHL-UUILKARUSA-N", "SMILES:C/C=C1\\C2C=C(C)CC1(N)c1ccc(=O)n(C)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDHMKJCVJSEPEU-UHFFFAOYSA-N", "SMILES:C=C1C2C=C(C)CC1(N)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWGFPRFQKRDIE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYBZVTMKISJGBF-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5ccnn5c4)c3)cc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLPXZXBWGJRGK-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKPIMMGEDIQMAJ-KAVFERFBSA-N", "SMILES:CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC=C4[C@@H]5C[C@@](C)(C#N)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMXXBNAGWGOMD-XKZIYDEJSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2C1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSLTVUOPFHVJT-QXMHVHEDSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2336515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBUKJYBZYAJSZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)nc2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWQYWWHMKSECE-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(N3CCc4ccccc4C3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVTQRCDGEGHRJA-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XESNEHWISAPTLL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1OC)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWAFYEDXZXBSIK-UHFFFAOYSA-N", "SMILES:O=c1c2c(on1Cc1ccccc1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1177907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVLJKIJKUKQSG-UHFFFAOYSA-N", "SMILES:COc1noc2c1CNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGBUQJHROJPRNM-UHFFFAOYSA-N", "SMILES:CCCn1oc2c(c1=O)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDEDSOFOOGPVRI-UHFFFAOYSA-N", "SMILES:CCn1oc2c(c1=O)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1177911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBEXDBPPNISAMB-UHFFFAOYSA-N", "SMILES:c1ccc(COc2noc3c2CNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDQYOYMCJUJUGK-UHFFFAOYSA-N", "SMILES:COc1noc2c1CCN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQPWSMRSMWNRRG-UHFFFAOYSA-N", "SMILES:Cn1oc2c(c1=O)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQMGSWBFVDATG-UHFFFAOYSA-N", "SMILES:COc1noc2c1CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUIVGHGONOVFW-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(Cc3cnn(-c4cc5ccc4CCc4ccc(cc4)CC5)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKIMEKCDPWXON-KHPWIGICSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)CCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLIRNYDPGUFOBG-KOQIBWAZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKTSPDMFDHBANN-UHFFFAOYSA-L", "SMILES:Cc1cc(-c2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)c(C)c2)ccc1Nc1cc(S(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHLIGPDCMKUQZ-UHFFFAOYSA-L", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(-c3ccc(Nc4cc(S(=O)(=O)[O-])c(N)c5c4C(=O)c4ccccc4C5=O)cc3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRCPVZSXUDLFJN-UHFFFAOYSA-M", "SMILES:Cc1cc(-c2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)c(C)c2)ccc1N.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUVCIIXYHUWHG-UHFFFAOYSA-M", "SMILES:Nc1ccc(-c2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)cc2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNHSFDDGNZWJJ-GQCTYLIASA-N", "SMILES:O=C(NO)C1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGLLGNVUXMNMT-VMPITWQZSA-N", "SMILES:O=C(NO)C1CCCN1C(=O)/C=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZDNXLJHIZFSJS-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)NC(Cc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMRWAAVHNTCHT-CXUHLZMHSA-N", "SMILES:CC(C)c1ccc(/C=C2\\C=C(CC(=O)O)c3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXBVGNDRYQVJO-GRSHGNNSSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHJWMIITIMUUKU-UHFFFAOYSA-N", "SMILES:Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1478187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHRDROHURUMVLJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(N2CCCCC2)cc1N1CCCCC1"]}
{"name": "Protein S100-B", "xref": ["CHEMBL.TARGET:CHEMBL4300"], "id": "UniProtKB:P04271", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2144069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGBGPEDJXCYQPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1"]}
{"name": "Serine/threonine-protein kinase B-raf", "xref": ["CHEMBL.TARGET:CHEMBL2331061"], "id": "UniProtKB:P28028", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSHWAYWSRSSJNF-OAHLLOKOSA-N", "SMILES:CC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRPHEPIAXRGWIS-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(F)cc(F)c1)Nc1cc(COCc2ccc(F)cc2)ccn1"]}
{"name": "Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2", "xref": ["CHEMBL.TARGET:CHEMBL2331063"], "id": "UniProtKB:Q6P549", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUWUSQHJSRRILK-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1cc(COCc2ccc(F)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVYRGZOHGVKKE-UHFFFAOYSA-N", "SMILES:O=C(Cc1c(F)cccc1F)Nc1cc(COCc2ccc(F)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIUFJKYSFTVGRA-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cc(COCc2ccc(Cl)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQJFOZROFKZDSE-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1cc(COCc2ccc(Cl)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCMKPAPVKFJPR-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1cc(COCc2ccccc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDMUOKWBBLYUGO-UHFFFAOYSA-N", "SMILES:O=C(Cc1c(F)cccc1F)Nc1cc(OCc2ccc(F)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXWBWBBIYMDFNR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)Nc1cc(OCc2ccc(F)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPAALCSPCZCRG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cc(OCc2ccc(F)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRBOJRGVRBLBF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1C(F)(F)F)Nc1cc(OCc2ccc(Cl)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLVLCQHXCCWPSW-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1cc(OCc2ccc(Cl)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GISJHCLTIVIGLX-UHFFFAOYSA-N", "SMILES:O=C(Cc1c(F)cccc1F)Nc1cc(OCc2ccc(Cl)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHFVNLRXRZBSF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ccc(Cn2cccc(O)c2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUZQDEBWPUFQAF-XZSSXHOESA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374308", "category": ["biolink:ChemicalEntity"], "name": "LACTACYSTIN", "xref": ["InChIKey:DAQAKHDKYAWHCG-RWTHQLGUSA-N", "SMILES:CC(=O)N[C@@H](CSC(=O)[C@]1([C@@H](O)C(C)C)NC(=O)[C@H](C)[C@@H]1O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2337876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQAVPPWWLLVGFK-FRDWYVIJSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491636", "category": ["biolink:ChemicalEntity"], "name": "BELACTOSIN A", "xref": ["InChIKey:ZSYIAUXMQLVKIL-BLTCOFLISA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL574646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFKPANENAOEOK-UTLPMFLDSA-N", "SMILES:O=C1/C(=C/c2ccccn2)CNC/C1=C\\c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNHISNDWVXKND-UHFFFAOYSA-N", "SMILES:CC(C)Nc1c(C(N)=O)nnc2cc(N3CCOCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJZEVZCQJFBFS-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccncc3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEKPOFBEAWBKW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(NC4CCC4)c(C(N)=O)nnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZVBNIIMZBGQA-NTIJCTKGSA-N", "SMILES:N#C/C(=C\\C=C\\c1ccccc1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIDLBHGCBHNCF-FYYLOGMGSA-N", "SMILES:CN(C)CCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDINMGFTCHALKO-OAQYLSRUSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNAMHDMQWDCUDZ-FYYLOGMGSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSDEYZBJXKJET-FCHUYYIVSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)[C@H](O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYPYLJABZFCQN-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(-c2ccc3c(c2)OCCO3)c1"]}
{"name": "Dihydrofolate reductase", "xref": ["CHEMBL.TARGET:CHEMBL2329"], "id": "UniProtKB:P22906", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5476"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXYJVHNRPNRJL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(C)cc2)cc(C(C)C#Cc2c(C)nc(N)nc2N)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2338735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOKRJODYISPCKA-DPJBPYIISA-N", "SMILES:CCC[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZMDBQREWGWJI-XELDOGJXSA-N", "SMILES:CCCCC[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IORJPTSIJDJGHA-WTOXNGCTSA-N", "SMILES:CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332119", "category": ["biolink:ChemicalEntity"], "name": "VEGFRECINE", "xref": ["InChIKey:PAYLFJFRBIHGBV-UHFFFAOYSA-N", "SMILES:NC(=O)C1=C(N)C(=O)C=C(Nc2ccccc2O)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332132", "category": ["biolink:ChemicalEntity"], "name": "SECAUBRYOLIDE", "xref": ["InChIKey:RGFKYIOSMXLVPZ-PDRQEGEBSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(CC[C@]5(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]35C)C[C@]4(CCC(=O)OC)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332131", "category": ["biolink:ChemicalEntity"], "name": "CARINATIN G", "xref": ["InChIKey:PTKAYKCPSSLLRH-ONJSUUFZSA-N", "SMILES:C=C(CO)[C@@H]1CC[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]23C)C[C@]12CCC(=O)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAPFVMVXUKIQBQ-QQUVVESZSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(CC[C@]5(C)[C@@H]([C@H](C)CC(=O)CC(C)(C)O)CC[C@@]35C)C[C@]4(CCC(=O)OC)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQKEBHQSZETLM-VVYDSIJPSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(CC[C@]5(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]35C)C[C@]4(CCC(=O)O)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSDUVYTZJMYNE-AHGLEFSXSA-N", "SMILES:CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2333664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJSQZCPXAVEIHZ-LSFURLLWSA-N", "SMILES:COc1ccc2cc(C(=O)N/N=C/c3cc(Br)c(O)c(Br)c3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGWYBOJXOGMRU-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3c2c(cc2c4ccccc4sc32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGQWFYGGKUUFDD-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3c2c(cc2c4ccccc4oc32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGKVLOZDBCATTP-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNEOGOKQPPEKIT-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2ccc3oc4ccccc4c4ccc(c1=O)c2c34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KABJLUSOUCWXFO-UHFFFAOYSA-N", "SMILES:CCc1ccc2oc(-c3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3Cl)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POIHUEXADQOJCH-ANYOKISRSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXZJCQCBVQJWBI-UHFFFAOYSA-N", "SMILES:CCC(Sc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2s1)C(=O)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBCQAAJDSLTJNM-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)s2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUUBFKSVLSVPHF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nnc(-c3ccc(O)cc3O)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1224646", "category": ["biolink:ChemicalEntity"], "name": "CYRTOMINETIN", "xref": ["InChIKey:AESMRHCYHARBLU-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1ccc(O)c(O)c1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2337698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHTZMALPRVCUIK-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNXFUFGUJRZHY-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2ccccc2n1C(=O)CCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYWJATRQCFDSTF-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccc(O)cc3Cl)c(-c3ccc(O)cc3Cl)s2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYDEVVHZXJAQO-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPPGVVIDGQOQT-HWKANZROSA-N", "SMILES:O=[N+]([O-])/C(Br)=C/c1ccc(Br)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPCPPFFIBUKLW-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)CC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAWBLEZJQLDKMD-UHFFFAOYSA-N", "SMILES:Cc1c(C(O)CC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRWWJBMACSWHN-BKUYFWCQSA-N", "SMILES:Cc1c(/C(F)=C/C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRWWJBMACSWHN-FYJGNVAPSA-N", "SMILES:Cc1c(/C(F)=C\\C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XENHCPDEKWZGNG-UHFFFAOYSA-N", "SMILES:Cc1c(C(NN2CCCCC2)C(F)(F)F)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOLSRBHNLXWGD-NTUHNPAUSA-N", "SMILES:Cc1c(/C=C/C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFFVRIMNQFKHEG-QSKDNPADSA-N", "SMILES:COC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTGKZUMORAUKPR-UMHCOSGDSA-N", "SMILES:COC(=O)[C@H]1C(c2ccc(C)cc2)=NO[C@@H]1c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHLEMXWMDRPFY-UMHCOSGDSA-N", "SMILES:COC(=O)[C@H]1C(c2cccc(C)c2)=NO[C@@H]1c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRPWHXBMQCADB-UMHCOSGDSA-N", "SMILES:COC(=O)[C@H]1C(c2ccc(OC)cc2)=NO[C@@H]1c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIMGPVUEVKBKQ-QSKDNPADSA-N", "SMILES:COC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRKIBXYRAYWPQG-QSKDNPADSA-N", "SMILES:COC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHAVQVITUVZYGP-QSKDNPADSA-N", "SMILES:COC(=O)[C@H]1C(c2ccc(Br)cc2)=NO[C@@H]1c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHLEMXWMDRPFY-NJQSNWOVSA-N", "SMILES:COC(=O)[C@@H]1C(c2cccc(C)c2)=NO[C@H]1c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTGKZUMORAUKPR-NJQSNWOVSA-N", "SMILES:COC(=O)[C@@H]1C(c2ccc(C)cc2)=NO[C@H]1c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJXQWJIDNXOGK-OSLPKHIKSA-N", "SMILES:CCCCCCOC(=O)/C=C/c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAYJPCWLJBPJJX-UXVYNYMQSA-N", "SMILES:CCCCOC(=O)/C=C/c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSYLKMKIVWJAAK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEUDGDKDYOXFHU-SSEXGKCCSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2nn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSIDSJAOLGDFPK-GDLZYMKVSA-N", "SMILES:O=C(N[C@H](Cc1cc2oc(=O)[nH]c2cc1Br)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUIONSFUCOPZLD-GDLZYMKVSA-N", "SMILES:O=C(N[C@H](Cc1cc2oc(=O)[nH]c2cc1Cl)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYSYJTDVKKBUGF-GDLZYMKVSA-N", "SMILES:N#Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2oc(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQSJUJRWTWZNW-MUUNZHRXSA-N", "SMILES:O=C(N[C@H](Cc1cc(I)c2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEZLXEJGNUZTPC-MUUNZHRXSA-N", "SMILES:O=C(N[C@H](Cc1cc(Br)c2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMSWNYDGFNYAI-MUUNZHRXSA-N", "SMILES:O=C(N[C@H](Cc1cc(Cl)c2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOBPSENKFBJNAZ-SSEXGKCCSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)c(Cl)c2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBUNRAVRJCKBO-UHFFFAOYSA-N", "SMILES:CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c(C)n[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKNHAHXAMZIFN-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSCJOMKGFGYAC-UHFFFAOYSA-N", "SMILES:CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHWMJBIOLRHWNI-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(Cl)c2[nH]ncc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMNFZCWXLBJTKN-HKBQPEDESA-N", "SMILES:Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMNFZCWXLBJTKN-WJOKGBTCSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMNFZCWXLBJTKN-UHFFFAOYSA-N", "SMILES:Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWQDLKXMRMJIJF-WJOKGBTCSA-N", "SMILES:O=C(N[C@H](Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRBWRJPFNOBNIO-KOLCDFICSA-N", "SMILES:C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWMROLCIGVLHNY-STQMWFEESA-N", "SMILES:CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1243373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVGIJGPVKMNEPA-HNNXBMFYSA-N", "SMILES:O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGNUQABTKUXYPS-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(c3ccccc3n1C)C2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLZAODCBOKWOGQ-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C2=C(O)c3ccccc3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJBJUAPQHATOW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(O)c1c-2n(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQBOAVOCXEPIB-FBMGVBCBSA-N", "SMILES:COc1ccc2c(c1)/C(=N\\O)c1c-2n(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKBQFWVYFULBAN-XTQSDGFTSA-N", "SMILES:O/N=C1\\c2ccccc2-c2c1c1ccccc1n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIYPLDSLQVNCLT-BMRADRMJSA-N", "SMILES:O/N=C1\\c2ccccc2-c2[nH]c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLJMSVXAFAIJBJ-NJNXFGOHSA-N", "SMILES:Cn1c2c(c3ccccc31)/C(=N/NC(=O)Nc1ccccc1)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSBOKLVSPIDOZ-TVKQRKNISA-N", "SMILES:O=C(N/N=C1\\c2ccccc2-c2c1c1ccccc1n2Cc1ccccc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOCLDMODSZWEN-XDJHFCHBSA-N", "SMILES:NC(=S)N/N=C1\\c2ccccc2-c2[nH]c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCPNFIQIOCIQGB-NFFVHWSESA-N", "SMILES:COc1ccc(N/N=C2/c3cc(OC)c(OC)c(OC)c3-c3c2c2ccccc2n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZZQTUPUGQNRA-PNHLSOANSA-N", "SMILES:COc1ccc(N/N=C2/c3cc(OC)c(OC)cc3-c3c2c2ccccc2n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBVHBYBXNKEOOK-YYDJUVGSSA-N", "SMILES:COc1ccc2c(c1)/C(=N\\Nc1ccccc1)c1c-2n(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGIYRRRSBCZRPR-CCFHIKDMSA-N", "SMILES:COc1ccc(N/N=C2\\c3ccccc3-c3c2c2ccccc2n3Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAKHRZJUZMEOW-YYDJUVGSSA-N", "SMILES:COc1ccc(N/N=C2\\c3ccccc3-c3c2c2ccccc2n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPLVVQMANSUYEP-YYDJUVGSSA-N", "SMILES:Cc1ccc(N/N=C2\\c3ccccc3-c3c2c2ccccc2n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPUHMLSWOZDSO-DARPEHSRSA-N", "SMILES:c1ccc(N/N=C2\\c3ccccc3-c3[nH]c4ccccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUSOVQSRJTMHZ-YYDJUVGSSA-N", "SMILES:COc1ccc2c(c1)c1c(n2C)-c2ccccc2/C1=N\\Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLTUBUPYRBNBN-KDJFERLWSA-N", "SMILES:c1ccc(Cn2c3c(c4ccccc42)/C(=N/Nc2ccccc2)c2ccccc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDKGUNOBDZFBNB-DARPEHSRSA-N", "SMILES:Cn1c2c(c3ccccc31)/C(=N/Nc1ccccc1)c1ccccc1-2"]}
{"name": "Serine/threonine-protein phosphatase PGAM5, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2331071"], "id": "UniProtKB:Q8BX10", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAHDNAYXOSOIRU-UHFFFAOYSA-N", "SMILES:O=C1C=C(NCc2cccc(Cl)c2)C(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2334461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPOAJXJBIMQSU-UHFFFAOYSA-N", "SMILES:O=C1C=C(NCc2ccccc2)C(=O)c2ccccc21"], "chembl_natural_product": true}
{"name": "Dynamin-1-like protein", "xref": ["CHEMBL.TARGET:CHEMBL2331072"], "id": "UniProtKB:Q8K1M6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGBKPHKEUANBSI-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(O)c2C(=O)c2c(O)cc(C[n+]3ccccc3)cc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCNLRCHECCUAMR-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEBNYMXKXIIGFX-VOHNXBSUSA-N", "SMILES:COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2349422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQOTSZZGZIZEG-OQJUOGDSSA-N", "SMILES:CO[C@@H](CC(=O)O[C@@H]1C[C@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@@H](O)[C@H]1O)c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2349065", "category": ["biolink:ChemicalEntity"], "name": "PETROSIOL A", "xref": ["InChIKey:OCOSAPZCXDXMOA-SXRUTACXSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCC[C@H](O)[C@@H](O)[C@H](O)C#CC#CCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2349072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMDPCZTUIANEMU-DFNIBXOVSA-N", "SMILES:COc1ccc2c(c1)CCCC2CCCCN1[C@H](C)CCC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2349068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLHVQDWJFSCFR-GNXQHMNLSA-N", "SMILES:COc1ccc2c(CCCCN3[C@H](C)CCC[C@@H]3C)cccc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2349069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRVDGJJFPDHFNS-OKZTUQRJSA-N", "SMILES:COc1ccc2c(CCCN3[C@H](C)CCC[C@@H]3C)cccc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2349073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPSMBKLXZSVKU-IESHXZMMSA-N", "SMILES:COc1ccc2c(c1)CCCC2CCCN1[C@H](C)CCC[C@@H]1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXYIYKUZINROPB-POYCELQWSA-N", "SMILES:CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)Cc2ccccc2)C(C)C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHFINCERLJELW-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1cc(Nc2ccnc3cc(Cl)ccc23)cc(C(=O)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTNOFXLGDDNJGH-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGNTYKAEGHSCJ-UHFFFAOYSA-N", "SMILES:CN(C)CCNCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYMHTAUWRGVXEZ-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1cc(CN2CCC(O)CC2)cc(Nc2ccnc3cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL96248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELBGYUMHHRSDV-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1cc(COC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWUEGZPVPYQOP-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2349232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPICAZTWBLUDW-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(Nc3ccc(-c4ccco4)c(CN4CCCC4)c3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2349233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLYHXSVWVZQRIT-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213257", "category": ["biolink:ChemicalEntity"], "name": "AMOPYROQUINE", "xref": ["InChIKey:YNWCUCSDUMVJKR-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1"], "synonym": ["Amopyroquine", "Amopiroquina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2349234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFHPNFZIBFHOU-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAVTICKABAMSV-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1852660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZZDIHCNHYESF-UHFFFAOYSA-N", "SMILES:NC1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL422931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZAMCYJCPQMIHJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMIUEPWPBOREDD-HXUWFJFHSA-N", "SMILES:O=C1CCC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMIUEPWPBOREDD-FQEVSTJZSA-N", "SMILES:O=C1CCC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLSLYOZGYCPTIL-TYPHKJRUSA-N", "SMILES:O=C(O)C[C@@H]1O[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZRLMRCMYABCS-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCN(C)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAAHHHDILCOULN-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJBAXHONQAMDSZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cccc3cc(-c4ccccc4CCN)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRENVRQYNZWMRT-UHFFFAOYSA-M", "SMILES:CC(C)(C)c1ccc(-c2cccc3cc(-c4ccccc4C[N+](C)(C)C)ccc23)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNINIMANAGCJFT-UHFFFAOYSA-N", "SMILES:CCCc1ccccc1Nc1nc(N)nc(N(C)C)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSOQMONXMWUPX-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc3c(c2)C=CCO3)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXMHKBBPZNHGW-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIGHIIJSZRNJSA-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc3c(c2)OCC=C3)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBEHQNFCIWZPCF-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2C=CCO3)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCMGAXUTMOJVBQ-UHFFFAOYSA-N", "SMILES:C#CCOc1cccc(-c2cc(=O)c3c(O)cccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVUBIPIABHWBAR-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc3c(c(O)c12)C=CCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJHYXAJAMTIKE-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2c3c(cc(O)c12)OCC=C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAFTZLXVWCETJT-UHFFFAOYSA-N", "SMILES:C#CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRWTCSUOKJHKQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc3c(c2)C=CCO3)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347758", "category": ["biolink:ChemicalEntity"], "name": "2'H,4H-[2,5'-BICHROMEN]-4-ONE", "xref": ["InChIKey:WATBXYALBUCQQO-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2C=CCO3)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347757", "category": ["biolink:ChemicalEntity"], "name": "2'H,4H-[2,8'-BICHROMEN]-4-ONE", "xref": ["InChIKey:WWAJBIDLBMAENY-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2OCC=C3)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXMVSQXHQXVQK-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2c3c(ccc12)OCC=C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLKMZXXASLGEPG-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2ccc3c(c12)C=CCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCHHBNZVHGDCN-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2ccc3c(c12)OCC=C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHUDPFOODLMGQO-UHFFFAOYSA-N", "SMILES:O=C(NCCO)C1=Cc2c(ncnc2Nc2ccc(Oc3cccc4sccc34)c(Cl)c2)NCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKOSKXJRVWVXRI-JTQLQIEISA-N", "SMILES:N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1"]}
{"name": "Proliferating cell nuclear antigen", "xref": ["CHEMBL.TARGET:CHEMBL2346488"], "id": "UniProtKB:P12004", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXGMEQPKRMAPAQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBRHIPPJIGTDQK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXYHNATOUPESC-UHFFFAOYSA-N", "SMILES:CNC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHWLCVJBVCKQV-NSHDSACASA-N", "SMILES:CS(=O)(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSQGYQISXCTURZ-INIZCTEOSA-N", "SMILES:N[C@H](CNC(=O)CCN1CCOCC1)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKYPMVYNTMNELG-AWEZNQCLSA-N", "SMILES:N[C@H](CNC(=O)N1CCOCC1)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHYOACPXUHOBO-ZDUSSCGKSA-N", "SMILES:CC(C)NC(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGEXPFSUHGITMG-LBPRGKRZSA-N", "SMILES:CC(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECDGNVEDBZABJ-UHFFFAOYSA-N", "SMILES:CCOCCNC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDRWXMSPYLWJL-NSHDSACASA-N", "SMILES:COC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVALZQMAVYLNPJ-LBPRGKRZSA-N", "SMILES:CC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLAZPVBNHPQLFJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APORDOAPOHMOQP-UHFFFAOYSA-N", "SMILES:Oc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMFYSSKMYKGNI-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2ccc3c(c2)-c2c(cnn2CC)S(=O)(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISXAVIPPPMJTPN-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2ccc3c(c2)-c2[nH]ncc2S(=O)(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172394", "category": ["biolink:ChemicalEntity"], "name": "(-)-OLEOCANTHAL", "xref": ["InChIKey:VPOVFCBNUOUZGG-VAKDEWRISA-N", "SMILES:C/C=C(/C=O)[C@@H](CC=O)CC(=O)OCCc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2348314", "category": ["biolink:ChemicalEntity"], "name": "TYROSOL SINAPATE", "xref": ["InChIKey:AQFYCJCVOFNYLP-VMPITWQZSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2ccc(O)cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXEORFAZCKQUIT-UHFFFAOYSA-N", "SMILES:N=C(NCCCNCCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWAYBDOFZXUDQ-UHFFFAOYSA-N", "SMILES:N=C(NCCCNCCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJSVXNFNCDWPB-UHFFFAOYSA-N", "SMILES:N=C(NCCCNCCCCNCCCNC(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRYDBPFIXNJEE-UHFFFAOYSA-N", "SMILES:N=C(NCCCNCCCCNCCCNC(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWKCVUFYCHSLR-HSZRJFAPSA-N", "SMILES:O=C(C1CC1)N1CCC[C@@H](Nc2nccc(-n3c(-c4ccc5ccccc5c4)nc4ccc(O)cc43)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWLPUOSBEAGBSQ-XMMPIXPASA-N", "SMILES:COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLYQNHCDMISTOE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1ccnc(NC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2349310", "category": ["biolink:ChemicalEntity"], "name": "AZD-8797", "xref": ["InChIKey:ZMQSLMZOWVGBSM-GXTWGEPZSA-N", "SMILES:CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12"], "synonym": ["Azd-8797", "Kand-567", "Kand567", "AZD8797"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYUPKXGFNQNTK-KPKJPENVSA-N", "SMILES:O=C(O)Cc1sc(/C=C2\\NC(=O)CS2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJUUOERZCSUFDE-UHFFFAOYSA-N", "SMILES:CC(c1ncnc(Cl)c1F)N1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXHJPHBWNXBEP-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGAYKVGOFCYKJG-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOCCOc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1491305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTISUNSASAUMMA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZEHNWSBBPABMV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIWASSLWJNRVAY-UHFFFAOYSA-N", "SMILES:COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTXGLMUZXAFRII-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGFBVPMCHNAYJG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUTVAINFFRUWFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKOYUSKBPMSUBK-UHFFFAOYSA-N", "SMILES:CNc1nc(C)c(-c2nc(Nc3cccc(N4CCCNCC4)c3)ncc2C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2375927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYWCCCDEKZFMBZ-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2375941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLZOWPGVQBRRTN-UHFFFAOYSA-O", "SMILES:O=C(C[n+]1cccc(F)c1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2376099", "category": ["biolink:ChemicalEntity"], "name": "CARNOSALDEHYDE", "xref": ["InChIKey:RCVGXYUBWJMZTF-MGPUTAFESA-N", "SMILES:CC(C)c1cc2c(c(O)c1O)[C@@]1(C=O)CCCC(C)(C)[C@@H]1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL218693", "category": ["biolink:ChemicalEntity"], "name": "CARNOSOL", "xref": ["InChIKey:XUSYGBPHQBWGAD-PJSUUKDQSA-N", "SMILES:CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2376098", "category": ["biolink:ChemicalEntity"], "name": "SAGEONE", "xref": ["InChIKey:NPQAMUFQEFLLCY-UHFFFAOYSA-N", "SMILES:CC(C)c1cc2c(c(O)c1O)C1=C(CC2)C(C)(C)CCC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL507166", "category": ["biolink:ChemicalEntity"], "name": "ROSMANOL", "xref": ["InChIKey:LCAZOMIGFDQMNC-FORWCCJISA-N", "SMILES:CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2376097", "category": ["biolink:ChemicalEntity"], "name": "EPIROSMANOL", "xref": ["InChIKey:LCAZOMIGFDQMNC-PYQAKABTSA-N", "SMILES:CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL484853", "category": ["biolink:ChemicalEntity"], "name": "CARNOSIC ACID", "xref": ["InChIKey:QRYRORQUOLYVBU-VBKZILBWSA-N", "SMILES:CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL242080", "category": ["biolink:ChemicalEntity"], "name": "E319", "xref": ["InChIKey:BGNXCDMCOKJUMV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2377454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLZHXGLXUTNNN-UHFFFAOYSA-N", "SMILES:O=C(O)C(O)C(O)C(=O)O.O=c1[nH]c(CN2CCCCC2)nc2cc(-c3cn(Cc4ccccc4)c4ccccc34)sc12"]}
{"name": "Tyrosine-protein kinase transmembrane receptor ROR2", "xref": ["CHEMBL.TARGET:CHEMBL2375201"], "id": "UniProtKB:Q01974", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2377825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJHPQHLHQTQQI-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDIZHZFFRLITR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=CC(C)(C)Oc3c(Br)cc(C(=O)Nc4ccc(C(=O)O)c(F)c4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNEBUQTZKVXTKB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2377258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKRLDSMSRYWBJD-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CCCN2CCN(c3ccc(F)cc3)CC2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2376840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGGWXUSKDFFRW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=CC(C)(C)Oc3c(Br)cc(C(=O)Nc4ccc(C(=O)O)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507001", "category": ["biolink:ChemicalEntity"], "name": "DIOSCIN", "xref": ["InChIKey:VNONINPVFQTJOC-ZGXDEBHDSA-N", "SMILES:C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2375653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMOMSBFRQXQAA-DPMNTXOZSA-N", "SMILES:CC1=C[C@]2(C)/C=C(C)/C=C/C[C@@H](O)/C=C3/C=C/C(=C4\\C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2375651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYKWOBRJIFSGR-RWEDVPQQSA-N", "SMILES:CC1=C[C@]2(C)/C=C(C)/C=C/C[C@@H](OC(=O)CCC(=O)NCCCCCCNC(=O)Cc3cc(=O)oc4cc(N(C)C)ccc34)/C=C3/C=C/C(=C4\\C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2377530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEAVJKJURZRSJV-AREMUKBSSA-N", "SMILES:CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUFHDBFHNDUDJA-GXJYFLSQSA-N", "SMILES:CCCOc1ccc(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2377735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCEKXNZJEPZBBC-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2382281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRKXXMIMYVXFAL-JKDRMEOPSA-N", "SMILES:CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2382280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRKXXMIMYVXFAL-ZXNJCINZSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2382279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCBMOOTXFSRAOQ-RLTIYUTQSA-N", "SMILES:CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1CCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQSSFCHTFUVDRF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN(Cc2cccnc2)Cc2ccc(F)c(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SACITMCCQMEMDI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN(Cc2ccc(Cl)cc2)Cc2cccnc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLMWVUYXHRUOF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CN(Cc2ccc(F)cc2)Cc2cccnc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXCSEAQOKPSNJV-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1CN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1961795", "category": ["biolink:ChemicalEntity"], "name": "GSK-4112", "xref": ["InChIKey:WYSLOKHVFKLWOU-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMQPSBPRQIIGA-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNPPAUSSVQTZDZ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)Nc2ccc(C(C)=O)cc2)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFMYMZCIVELAF-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BODINHFDMMFSMA-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFZZWVUKDCIEL-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CINCXEUNIJURBV-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)Nc2ccc(Cl)cn2)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKDBIXGZVAYFP-OYKKKHCWSA-N", "SMILES:COc1ccc(NC2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3Cl)S2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSULPYMAEGPMBE-OYKKKHCWSA-N", "SMILES:COc1ccc(NC2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(Cl)c3)S2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3215914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCZXEIODMFSQB-UHFFFAOYSA-N", "SMILES:Cl.Cl.N=C(N)c1ccc2nc(-c3ccc(-c4nc5ccc(C(=N)N)cc5s4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3215913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYNFFOFGRIYFLF-UHFFFAOYSA-N", "SMILES:Cl.Cl.N=C(N)c1ccc2nc(-c3cccc(-c4nc5ccc(C(=N)N)cc5s4)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRUEEHUOLRYMM-UHFFFAOYSA-N", "SMILES:Cl.Cl.c1cc(-c2nc3ccc(C4=NCCN4)cc3s2)cc(-c2nc3ccc(C4=NCCN4)cc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUFPLRBQWUNGKJ-UHFFFAOYSA-N", "SMILES:Cl.Cl.c1ccc(-c2nc3ccc(C4=NCCN4)cc3s2)c(-c2nc3ccc(C4=NCCN4)cc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3215917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZBOKHPVANMPKV-UHFFFAOYSA-N", "SMILES:Cl.Cl.c1cc2nc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5s4)cc3)sc2cc1C1=NCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBGRTMNFNMINE-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZQRTUGLYPVGI-OLZOCXBDSA-N", "SMILES:COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CC[C@@H](F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKUVGMUIXJJAR-STQMWFEESA-N", "SMILES:COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CC[C@H](O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQBJJBLAZNQJZ-STQMWFEESA-N", "SMILES:COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CC[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZQRTUGLYPVGI-STQMWFEESA-N", "SMILES:COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CC[C@H](F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKUVGMUIXJJAR-QWHCGFSZSA-N", "SMILES:COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CC[C@@H](O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQBJJBLAZNQJZ-QWHCGFSZSA-N", "SMILES:COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CC[C@@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZMQEYZKUYTMM-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEHXVDBTGRNEJG-GSESMZNDSA-N", "SMILES:CC(=O)n1cc(CCNC(=O)CCCCCN2CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3cncn3CCCCCCCCc3ccccc3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N[C@@H](C(N)=O)CSCC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OORPAHIABJKOQZ-QMBSKNLRSA-N", "SMILES:CC(=O)n1cc(CCNC(=O)CCCCCN2CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N[C@@H](C(N)=O)CSCC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRJODEZUHPKNFN-YNQPYZBLSA-N", "SMILES:CC(=O)n1cc(CCNC(=O)CCCCN2CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N[C@@H](C(N)=O)CSCC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNIGOQYOLHZJCP-WBCKTOISSA-N", "SMILES:CC(=O)n1cc(CCNC(=O)CCN2CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N[C@@H](C(N)=O)CSCC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGZWRFHOJLABP-ZXCPWJTFSA-N", "SMILES:CC(C)CN1CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N[C@@H](C(N)=O)CSCC(=O)N(C(C)c2ccccc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYSQYPOQXVHIQ-DSOACZBLSA-N", "SMILES:CC(C)CN1CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N[C@@H](C(N)=O)CSCC(=O)N(Cc2ccc(F)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDUIKWXPFWIAGL-OMAZYLPNSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CN(CCc2c[nH]c3ccccc23)C(=O)CSC[C@H](C(N)=O)NC(=O)[C@H]([C@@H](C)OP(=O)(O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJLNTHUOHLAFL-FBMTYVMNSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CN(CCc2ccc(O)c(O)c2)C(=O)CSC[C@H](C(N)=O)NC(=O)[C@H]([C@@H](C)OP(=O)(O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKMKFNWAAQYFTN-GLSBZFEESA-N", "SMILES:CC(C)CN1CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N[C@@H](C(N)=O)CSCC(=O)N(CCCCc2ccccc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XROCNMDJCJACHX-SJXDXKNFSA-N", "SMILES:CC(C)CN1CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N[C@@H](C(N)=O)CSCC(=O)N(CCc2c[nH]c3ccccc23)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZLKMXPTGGMQKP-COFMQHOOSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CN(CCc2ccc(Cl)cc2)C(=O)CSC[C@H](C(N)=O)NC(=O)[C@H]([C@@H](C)OP(=O)(O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWSDAQKOBJZCM-DKPHKCNISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CN(Cc2ccc(F)cc2)C(=O)CSC[C@H](C(N)=O)NC(=O)[C@H]([C@@H](C)OP(=O)(O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNRQGRINVVOEQV-VWABPVSZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CSC[C@H](C(N)=O)NC(=O)[C@H]([C@@H](C)OP(=O)(O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRNMCYUPQNLRS-ZFGYYGPWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CN(CCc2ccccc2)C(=O)CSC[C@H](C(N)=O)NC(=O)[C@H]([C@@H](C)OP(=O)(O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDNJTDDCGINDNU-ROEPQDSHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CN(CCCCc2ccccc2)C(=O)CSC[C@H](C(N)=O)NC(=O)[C@H]([C@@H](C)OP(=O)(O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEYWCODVHYDOFM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMAZKJOPDKHOD-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALTALGWAXOLUQD-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCC(=O)N(C)CCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKGISSNRWXWSHI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAUJOSUXLHTDAH-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSWCLKSOPCNZIZ-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCC(=O)N(C)CCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRLSYGGDNSJRFX-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXILZSGKWIALIK-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCLZYSBEHRTYLD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCC(C)(C)C[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZCKFZQHWFSPW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCC(C)(C)C[N+](C)(C)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVWMNKNWNMFHIM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCC(C)(C)C[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHCHKBXLKRMMJ-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1cccc(C(=O)NO)c1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIHKWEQJEDRIFS-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(C(=O)NCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRLSFIWLUITXLE-UHFFFAOYSA-N", "SMILES:CC(C)CCNc1ccc(-c2cnc3ccc(N4CCC(N)CC4)nn23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVBSGFPJMMGJQ-UHFFFAOYSA-N", "SMILES:CC(C)CCNc1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1"]}
{"name": "Mitogen-activated protein kinase kinase kinase kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL5330"], "id": "UniProtKB:Q12851", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDLWCBRULBWIA-UHFFFAOYSA-N", "SMILES:CC(C)CCNc1ccc(-c2cnc3ccc(NC4CCN(C)C4)nn23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKGOAAVLALZKCN-JSLVBRCRSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)N[C@H](CCCBr)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVFWRDGEWDQGNU-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(CC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUVJMZFLFMMLG-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCc1ccccc1)SCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGIOQUVPZGBMF-KRWDZBQOSA-N", "SMILES:Cc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJFHEYTYKKNJY-IBGZPJMESA-N", "SMILES:Cc1cc(C)nc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKQMQSFNINGJEH-SFHVURJKSA-N", "SMILES:Cc1nc(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)c(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2382434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBOZLGNPMVERZ-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2382425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRBFSDYGUWBKM-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPRGLOMMHZBVJQ-UHFFFAOYSA-N", "SMILES:COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLNYLDYPZCWDDA-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHORSTUZHMJGTR-GUTACTQSSA-N", "SMILES:Cl.NCCCCCC(=O)N1C[C@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)[C@@H](S)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTQYMJLEQVXIPD-IRXDYDNUSA-N", "SMILES:O=S(=O)(N[C@H]1CCC[C@@H]1S)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDFNKJSVDGBNRH-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)CN3CCN(Cc4ccccc4)CC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1331045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJTGGIYZQHHLGJ-RTBURBONSA-N", "SMILES:CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC#CCCCNS(C)(=O)=O)cc1OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDEZNAJVPGRYNY-UHFFFAOYSA-N", "SMILES:CCCCn1cc(-c2ccc3ccccc3c2)c2cccc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFTDXCOKDRDGNQ-UHFFFAOYSA-N", "SMILES:CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c21"]}
{"name": "Death-associated protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL2468"], "id": "UniProtKB:O43293", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWXOUBMHZMKRS-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCCNc1c2c(nc3ccccc13)CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKACBOMDWXGFLH-CCEZHUSRSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFIRAIDEKPEGK-FYWRMAATSA-N", "SMILES:CCN(CC)Cc1cccc(C(=O)/C=C/c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBYFZEGNDWMDOR-ZRDIBKRKSA-N", "SMILES:CCN(CC)Cc1cccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKWPMPJHSFQUHL-ACCUITESSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccc(CN3CCN(Cc4ccccc4)CC3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGHIEHPELUXQAH-SDNWHVSQSA-N", "SMILES:CCN(CC)Cc1cccc(C(=O)/C=C/c2ccc(OC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVNWIIYGSPWPKJ-NTCAYCPXSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccc(CN3CCC(c4ccccc4)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVHYVVLLXUGGBO-NTCAYCPXSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccc(CN3CCN(Cc4ccccc4)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXYNNUQCPDGSV-OUKQBFOZSA-N", "SMILES:CCN(CC)Cc1cccc(C(=O)/C=C/c2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPFCYYEQOXNLL-BUHFOSPRSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2cccc(CN3CCC(c4ccccc4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGXQCTZLATMFR-BUHFOSPRSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2cccc(CN3CCN(Cc4ccccc4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIGFMEBZIZCPTB-JLHYYAGUSA-N", "SMILES:CCN(CC)Cc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYZMTGBNAHCOE-JLHYYAGUSA-N", "SMILES:CCN(CC)Cc1cccc(C(=O)/C=C/c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKKTAWVSYNRHR-JLHYYAGUSA-N", "SMILES:CCN(CC)Cc1cccc(C(=O)/C=C/c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITVQBISBMTIAC-OBGWFSINSA-N", "SMILES:CCN(CC)Cc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDFSKGAJGHYXDV-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)CN3CCC(c4ccccc4)CC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPQPMICFMUSKQY-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)CN3CCN(c4ccccc4)CC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDQKVSPVDAXRX-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)CN3CCN(c4ccccn4)CC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHTSGNRVLVCBPN-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)CN3CCN(c4ncccn4)CC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYFWPJFXEQUWEH-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)CN3CCOCC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVJOWMACGPXFH-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL659", "category": ["biolink:ChemicalEntity"], "name": "GALANTAMINE", "xref": ["InChIKey:ASUTZQLVASHGKV-JDFRZJQESA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2"], "synonym": ["Galantamine", "Galantamine", "Galantamine", "Galantamine", "Galantamina", "Galantamine", "(-)-galantamine", "(-)-galanthamine", "Galantamine", "Galanthamine", "NSC-100058", "Acumor xl", "Consion xl", "Elmino xl", "Galsya xl", "Galzemic xl", "Gatalin xl", "Gazylan xl", "Lotprosin xl", "Luventa xl", "Reminyl", "Reminyl xl", "Zeebral xl", "Galantamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2381387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYGCHUCRNGNCR-BUHFOSPRSA-N", "SMILES:CCN(CC)Cc1cccc(C(=O)/C=C/c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWCCEQKYCZQPRK-HBFSDRIKSA-N", "SMILES:CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1C(C)=O)C(=O)c1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNKYQNSJYNAEI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-n2cc(CNC(=O)Nc3cccc(CCl)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARXPVLLOEPIRMA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(CNC(=O)Nc3cccc(CCl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEHRNURUSJRTNO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc3ncsc3c2)nn1)Nc1cccc(CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEDSJHACZYVEDI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(Cc2cc(=O)[nH]c3ccccc23)nn1)Nc1cccc(CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIQNQEFIAXVCSG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2ccc(-n3cc(CNC(=O)Nc4cccc(CCl)c4)nn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHFSANEDJHAFM-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCN2C(=O)c3ccccc3C2=O)nn1)Nc1cccc(CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWMKBFOSVXJXMJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1)Nc1cccc(CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIUFUTNFOCZASG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc3scnc3c2)nn1)Nc1cccc(CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVXFTOYXHPWPW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc3[nH]ncc3c2)nn1)Nc1cccc(CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRTNXMFRCIIMEV-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc3cn[nH]c3c2)nn1)Nc1cccc(CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFGHCPRCWMDYSM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2cc(CNC(=O)Nc3cccc(CCl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGMKINCHGAOPK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc2c1C(=O)C=C(Nc1cccnc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRQTZYHZGFQFMR-UHFFFAOYSA-N", "SMILES:O=C1C(Nc2ccc([N+](=O)[O-])cc2Cl)=CC2=NS(=O)(=O)c3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNVEZCCWFOWDA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C)c2-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPAVFMUBTIUYBW-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(Cl)o2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMGVWICIJTVHP-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(Br)o2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJDTRQTUSXNOW-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1onc(-c2ccc(Cl)o2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXHUHXSKMAPFQ-UHFFFAOYSA-N", "SMILES:CC(=O)OCc1onc(-c2ccc(Cl)o2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBHQVUAFKVOCO-AWNIVKPZSA-N", "SMILES:COc1cc(/C=C2/C(=O)Nc3cc(C)c(O)cc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKBRRRLUPZOKEY-MLPAPPSSSA-N", "SMILES:COc1cc(/C=C2\\C(=O)Nc3ccc(Br)cc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLMBRZXZDAQHP-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQCBOJFDSJLNS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=CCC(C)(C)c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLWBHWPOUEOSJ-GSZYCOFVSA-N", "SMILES:COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZNBGWXBTYKWOD-BQAIUKQQSA-N", "SMILES:CC(C)N.Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(Br)o1)Oc1ccc(C(=O)O)cc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOOIKIWAISEAQW-CRRWKCINSA-N", "SMILES:CCCOc1c2cc(CCCn3cc(CCO[C@H]4O[C@H](CO)[C@H](O)C5=C4SC[C@]4(C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O4)O5)nn3)cc1Cc1cc(CCCn3cc(CCO[C@H]4O[C@H](CO)[C@H](O)C5=C4SC[C@]4(C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O4)O5)nn3)cc(c1OCCC)Cc1cc(CCCn3cc(CCO[C@H]4O[C@H](CO)[C@H](O)C5=C4SC[C@]4(C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O4)O5)nn3)cc(c1OCCC)Cc1cc(CCCn3cc(CCO[C@H]4O[C@H](CO)[C@H](O)C5=C4SC[C@]4(C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O4)O5)nn3)cc(c1OCCC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL247932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRSVPOCZJUQPX-DCIPZJNNSA-N", "SMILES:COc1cc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(OC)c3)c2)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQUBRQMHOZTSFY-BVDGQYGUSA-N", "SMILES:COc1cc2c(cc1-c1c(OC)ccc3c1[nH]c1c4c(c(C)cc13)OC(C)(C/C=C(\\C)CCC=C(C)C)C=C4)c1cc(C)c3c(c1n2C)C=CC(C)(C/C=C(\\C)CCC=C(C)C)O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2385454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXECSGTZFRJVFU-RSVUCGLWSA-N", "SMILES:COc1ccc2c([nH]c3c4c(c(C)cc32)OC(C)(C/C=C(\\C)CCC=C(C)C)C=C4)c1-c1ccc2[nH]c3c4c(c(C)cc3c2c1O)OC(C)(C/C=C(\\C)CCC=C(C)C)C=C4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2385453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZEGHFVHVQKCHT-RSVUCGLWSA-N", "SMILES:COc1ccc2c([nH]c3c4c(c(C)cc32)OC(C)(C/C=C(\\C)CCC=C(C)C)C=C4)c1-c1c(O)ccc2[nH]c3c4c(c(C)cc3c12)OC(C)(C/C=C(\\C)CCC=C(C)C)C=C4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1829173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPNBMMVVZRSGH-NRFANRHFSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHEANNSDVJOIBS-MHZLTWQESA-N", "SMILES:COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1393281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPYWVWVEXPVJI-UHFFFAOYSA-N", "SMILES:CCC1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O"]}
{"name": "Histone acetyltransferase SAS2", "xref": ["CHEMBL.TARGET:CHEMBL3832953"], "id": "UniProtKB:P40963", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYOOCPLGHJKLEG-JOCHJYFZSA-N", "SMILES:CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZHAXMVWLBKUOX-BJMVGYQFSA-N", "SMILES:CN(C)c1ccc(/C=C/c2nc3ccc(I)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZHAXMVWLBKUOX-PVAJUTCXSA-N", "SMILES:CN(C)c1ccc(/C=C/c2nc3ccc([125I])cc3[nH]2)cc1"]}
{"name": "Serum paraoxonase/arylesterase 1", "xref": ["CHEMBL.TARGET:CHEMBL3167"], "id": "UniProtKB:P27169", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCRLDPMQHPGIM-QGZVFWFLSA-N", "SMILES:COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWWMJBVIRHTALT-UHFFFAOYSA-N", "SMILES:CCc1ccccc1S(=O)(=O)C1CO1"]}
{"name": "Prostaglandin D2 receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL2291"], "id": "UniProtKB:Q9Z2J6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVIBILUEGHHNNI-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3ccccc31)CN(C(=O)c1cccc3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMYRYCOGQOEXOC-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc(Cl)c1)CC2"]}
{"name": "Chemoattractant receptor-homologous molecule expressed on Th2 cells", "xref": ["CHEMBL.TARGET:CHEMBL1075058"], "id": "UniProtKB:Q56D28", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMGJYNRGIGTIF-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2ccc(C(=O)N3CCc4c(c5cccc(Cl)c5n4CC(=O)O)C3)cc2)cc1"]}
{"name": "G-protein coupled receptor", "xref": ["CHEMBL.TARGET:CHEMBL2384890"], "id": "UniProtKB:Q2A652", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJEVQOJEJXZQAR-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2ccc(C(=O)N3CCc4c(c5ccccc5n4CC(=O)O)C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBXJDSAOTZJQAG-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)CCc1cccc3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUKXPPCLOKSGNR-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)Cc1c[nH]c3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXKUEXZCQUFSZ-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)Cc1cccc3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDQRLTKGVOVSCZ-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(F)cc(Cl)c31)CN(C(=O)c1cccc3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFVBLFJUHBOAGA-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(C(F)(F)F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZZLXQCQXBMNF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1c(n2CC(=O)O)CCN(C(=O)c2cccc3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKXLZPONKIBOQ-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(Cl)ccc31)CN(C(=O)c1cccc3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCHZSUUQQWRNF-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(F)cc(Cl)c31)CN(C(=O)c1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINXGADXFCBIBN-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3ccccc31)CN(C(=O)c1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXAZUHZNPMCSLD-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccs1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWALGAXFBJFLOX-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3ccccc31)CN(C(=O)C1CCCCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILPFRBHUUZGDZ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2c(c1)c1c(n2CC(=O)O)CCN(C(=O)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCYDUAGFTWKEMN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1c(n2CC(=O)O)CCN(C(=O)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICSJJGLAKDSPMF-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(C(F)(F)F)ccc31)CN(C(=O)c1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTLHJJZUGWLEBW-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(F)cc(F)c31)CN(C(=O)c1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUVHMKJQLPYDR-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSARCQHFZFTIO-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1c(n2CC(=O)O)CCN(C(=O)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTZFTRZOSZCEB-UHFFFAOYSA-N", "SMILES:Cc1ccc2c3c(n(CC(=O)O)c2c1)CCN(C(=O)c1ccccc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWSSNAISVQXGSU-UHFFFAOYSA-N", "SMILES:Cc1cccc2c3c(n(CC(=O)O)c12)CCN(C(=O)c1ccccc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSNGAAHZCRDTP-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cc(Cl)ccc31)CN(C(=O)c1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJSNYYXMOAPKKO-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3cccc(Cl)c31)CN(C(=O)c1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLOUGLEHWJVAT-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2c(c3ccccc31)CN(C(=O)c1ccccc1)CC2"]}
{"name": "Prostaglandin D2 receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL1075112"], "id": "UniProtKB:Q6XKD3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNRWIBSGBMYRF-ZFWWWQNUSA-N", "SMILES:COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIVDXIRWHFVLU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)O)c(C(F)(F)F)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAABCALYOOIAEM-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEXOCJKTBRIGNK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(o2)C(=O)N(Cc2ccccc2-c2cncnc2)c2ccc(N4CCNCC4)cc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUXGIPNQUYTUBE-SFHVURJKSA-N", "SMILES:Cc1c(O)c(C)c2c(c1O)C(=O)[C@](O)(Cc1ccc(O)cc1)CO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2385400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLKHEXGKXUNTN-SFHVURJKSA-N", "SMILES:COc1c(O)c(C)c(O)c2c1OC[C@@](O)(Cc1ccc(O)cc1)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2385399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGKORFWCUPPJCO-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2COc3c(OC)c(O)cc(O)c3C2=O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2385402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWFZJUAFVHBCA-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C)c(O)c1C(=O)CCc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2385398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFVOQLBTLZMHPR-LLVKDONJSA-N", "SMILES:Cc1c(O)cc2c(c1O)C(=O)[C@H](Cc1ccc(O)cc1)CO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQJXNTUJUHDHSF-GFCCVEGCSA-N", "SMILES:Cc1c(O)c(C)c2c(c1O)C(=O)[C@H](Cc1ccc(O)cc1)CO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDFVUCLEMCGDDE-LLVKDONJSA-N", "SMILES:COc1c(O)c(C)c(O)c2c1OC[C@@H](Cc1ccc(O)cc1)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2386488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZYWESKSLTSJX-JHRRKWFBSA-N", "SMILES:CC1(C)CCC[C@]2(C)[C@H]3CC[C@@H](CCCO)[C@H](CCc4ccoc4)[C@@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUZTXAUQPRPAHU-RDMFNCBLSA-N", "SMILES:CC1(C)CCC[C@]2(C)[C@H]3CC[C@H](O)[C@H](CCc4ccoc4)[C@@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818099", "category": ["biolink:ChemicalEntity"], "name": "SUVANINE'S SODIUM SALT", "xref": ["InChIKey:LCLILMARVYROOR-VNINRLMRSA-M", "SMILES:CC1(C)CCC[C@]2(C)[C@H]3CC/C(=C\\OS(=O)(=O)[O-])[C@H](CCc4ccoc4)[C@@]3(C)CC[C@@H]12.[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2386624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIPDREOVFWTNOY-AHIJYVNXSA-N", "SMILES:COC(=O)CC[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@H]1C(C)(C)CCC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDRPOOSTODYTB-PHGCLWLISA-N", "SMILES:CC1(C)CCC[C@]2(C)[C@H]3CC[C@@]4(C=O)[C@@H]5OC(=O)C=C5CC[C@@H]4[C@@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2386487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWWPUNKSKVCLF-ZCOTVNKDSA-N", "SMILES:CC1(C)CCC[C@]2(C)[C@H]3CC[C@H](/C=C/C(=O)O)[C@H](CCc4ccoc4)[C@@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBPZYOUTQDNASI-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(F)cc2)oc2cccc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPNNAYRVNITCM-UHFFFAOYSA-N", "SMILES:COCCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQJCKAXFJBYKJ-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMIAIRNHGRWXGV-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn3c4c(cc(Br)cc24)CNCC3)=C1c1coc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJKPBXTWSIUPY-UHFFFAOYSA-N", "SMILES:COCCc1cccc2c(C3=C(c4coc5ccccc45)C(=O)NC3=O)cn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOXBQQNEPQTXSK-UHFFFAOYSA-N", "SMILES:COCCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBXZEXINQCGSMP-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXMQDCGRTSYYID-UHFFFAOYSA-N", "SMILES:COCCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(F)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRWFFAFRXKVJM-PMERELPUSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCc4cn(CCCCCCC(=O)NO)nn4)ccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFQRFGGQTGEMNO-LJAQVGFWSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCc4cn(CCCCCC(=O)NO)nn4)ccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBEWPDGJGLHJCA-NDEPHWFRSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCc4cn(CCCCC(=O)NO)nn4)ccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGSUPLOLVHHRHH-XIFFEERXSA-N", "SMILES:CCc1c2c(nc3ccc(OCc4cn(CCCCCCCC(=O)NO)nn4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZVAVGPGKWOHGK-YTTGMZPUSA-N", "SMILES:CCc1c2c(nc3ccc(OCc4cn(CCCCCCC(=O)NO)nn4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOASHSIQTDJOIL-HKBQPEDESA-N", "SMILES:CCc1c2c(nc3ccc(OCc4cn(CCCCCC(=O)NO)nn4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPNSLEXTFXUFST-PMERELPUSA-N", "SMILES:CCc1c2c(nc3ccc(OCc4cn(CCCCC(=O)NO)nn4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFZRXHVDLOKSCL-LJAQVGFWSA-N", "SMILES:CCc1c2c(nc3ccc(OCc4cn(CCCC(=O)NO)nn4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEIVNSJTXSKRFO-UHFFFAOYSA-N", "SMILES:COc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTBPKWPCGSFPZ-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc(Cn3cnc4ccccc43)cc(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUOVVRJRKZZQF-UHFFFAOYSA-N", "SMILES:CCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDFSBWQROTRLI-UHFFFAOYSA-N", "SMILES:CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVXSXQKCIEASR-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)c2cc(Cc3ccc(Br)cc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPCYUTDSRGSELC-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c2cc(Cc3cccc(O)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFBPYPFEHXVSP-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)c2cc(Cc3ccc(Cl)cc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCPYJQKQLUBAD-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)c2cc(Cc3ccccc3C)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQAIJPHDOPKAX-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(Cc4ccccc4O)c(=O)oc3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMUYRWBIWMWOQG-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(Cc4ccccc4O)c(=O)oc3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNWOMOUVWNKICO-UHFFFAOYSA-N", "SMILES:CCCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBZIGRIVQPZHKB-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCIQHUTWQLKJP-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDLPNVYTSNVGM-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)c2cc(Cc3cccc(OC)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYCAUIYIZSPQY-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2393067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMMPPBRCTWMHF-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2393104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHSVLIJGJJYPSH-UHFFFAOYSA-N", "SMILES:OCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL59782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUHVEOJQELBGLL-UHFFFAOYSA-N", "SMILES:CCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2393095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKSHTRXNBWUALR-UHFFFAOYSA-N", "SMILES:NCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2393092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJSPSBVUMABUDW-UHFFFAOYSA-N", "SMILES:NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2393405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWKQXENQXHPRBD-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(C)c(C(=O)O)nc2cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2390985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVNBXBVKFVKFZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2n[nH]cc2-c2ccncc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZDXIEICXKZIMD-UHFFFAOYSA-M", "SMILES:O=C([O-])CCC(=O)C1CO1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAKSMHUXDYGQW-ULBKPHCJSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(COC(=O)NC5CCCC5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2390986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDTXEPREVLYIY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1"]}
{"name": "Receptor-type tyrosine-protein kinase FLT3", "xref": ["CHEMBL.TARGET:CHEMBL2034796"], "id": "UniProtKB:Q00342", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2390984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEOZXJOMZRZFHB-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cc(-c3ccc(F)cc3)n[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2390983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVUBUUJYXUXBSG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(NC(=O)c3ccc(F)cc3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL167454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDDUIHVLNOJLEF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBMPZRTBKJNKP-HKGZJRCASA-N", "SMILES:C[C@]12CCC(=NO)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJBOBZQLWBUUJV-PQFRROSMSA-N", "SMILES:C[C@]12CC[C@H](OC(=O)c3ccncc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCPUPGYLFULQH-JJAANBCZSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASKGPBOJTJMOPH-HKSHTPPISA-N", "SMILES:Cc1nccn1C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(n4cnc5ccccc54)=CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIJOAMUOKRUQB-CNRUGTJDSA-N", "SMILES:C[C@]12CC[C@H](OC(=O)n3ccnc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPMBLPVHJHQFHR-HKGZJRCASA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYGINLIXBHMRMY-QDBORUFSSA-L", "SMILES:NCc1ccc(CN(CCCCN(O)C(=O)/C=C/C(=O)[O-])C(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)[O-])c2)cc1.[Na+].[Na+]"]}
{"name": "Lysine-specific demethylase 2A", "xref": ["CHEMBL.TARGET:CHEMBL1938210"], "id": "UniProtKB:Q9Y2K7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysine-specific demethylase 6B", "xref": ["CHEMBL.TARGET:CHEMBL1938211"], "id": "UniProtKB:O15054", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL128729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIMGBQRFXXNON-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2391135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNKIIBMIIHNZAX-UHFFFAOYSA-N", "SMILES:COc1ccc(OC2=CC(=O)C(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL305686", "category": ["biolink:ChemicalEntity"], "name": "CORDYCEPIN", "xref": ["InChIKey:OFEZSBMBBKLLBJ-BAJZRUMYSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O"], "synonym": ["Cordycepin", "3'-deoxyadenosine", "9-cordyceposidoadenine", "Cordycepin", "Cordycepine", "NSC-401022", "NSC-63984"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL510508", "category": ["biolink:ChemicalEntity"], "name": "PHLOROFUCOFUROECKOL A", "xref": ["InChIKey:SLWPBUMYPRVYIJ-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc4oc5c(Oc6cc(O)cc(O)c6)c(O)cc(O)c5c4c2O3)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL459393", "category": ["biolink:ChemicalEntity"], "name": "FUCODIPHLOROETHOL G", "xref": ["InChIKey:DUSGAYNDQIKXHD-UHFFFAOYSA-N", "SMILES:Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL456228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLEVVQRBEATTCM-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(Oc4c(O)cc(O)cc4O)cc2O3)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2391423", "category": ["biolink:ChemicalEntity"], "name": "2-PHLOROECKOL", "xref": ["InChIKey:WYQMJNVMBAQVFD-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(Oc2c(Oc3c(O)cc(O)cc3O)cc(O)c3c2Oc2c(O)cc(O)cc2O3)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL471187", "category": ["biolink:ChemicalEntity"], "name": "ECKOL", "xref": ["InChIKey:PCZZRBGISTUIOA-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(O)cc2O3)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3216350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSJZEZDMYPVQCF-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCN2CCN(C3CCCCC3)CC2)c2c1CCCC2.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGRWYMPQCQTHD-GXSJLCMTSA-N", "SMILES:C[C@H]1[C@H](c2ccccc2)CC(=O)N1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGRWYMPQCQTHD-MWLCHTKSSA-N", "SMILES:C[C@@H]1[C@H](c2ccccc2)CC(=O)N1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGRWYMPQCQTHD-KOLCDFICSA-N", "SMILES:C[C@@H]1[C@@H](c2ccccc2)CC(=O)N1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGRWYMPQCQTHD-ONGXEEELSA-N", "SMILES:C[C@H]1[C@@H](c2ccccc2)CC(=O)N1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSUBPYIGOCDCDV-XPZBDPFPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)O)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSTJKFDGUZMVEG-UHFFFAOYSA-N", "SMILES:O=C1OCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPQKOXDIQRGKQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPNVOXCFJNBNCN-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)NCCc2ccc(Cl)cc2Cl)(c2cnn(CCc3ccc(Cl)cc3Cl)n2)N1CCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXEJKGWDHLPGGG-UHFFFAOYSA-N", "SMILES:O=C1C(c2cnnn2CCc2ccc(Cl)cc2Cl)N(CCC(c2ccccc2)c2ccccc2)C(=O)CN1CCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRKZFRGYHWZBOW-UHFFFAOYSA-N", "SMILES:O=C1C(c2cn(CCc3ccc(Cl)cc3Cl)nn2)N(CCC(c2ccccc2)c2ccccc2)C(=O)CN1CCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGIHWYGEYMISR-UHFFFAOYSA-N", "SMILES:NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQEBEXMHBLQMDB-GDJBGNAASA-N", "SMILES:C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "D-rhamnosyltransferase WbpZ", "xref": ["CHEMBL.TARGET:CHEMBL2390815"], "id": "UniProtKB:Q9HTC0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392477", "category": ["biolink:ChemicalEntity"], "name": "ELEPHANTORRHIZOL", "xref": ["InChIKey:PONGJRZSHJPTOF-LKFCYVNXSA-N", "SMILES:Oc1ccc([C@H]2Oc3c(O)c(O)c(O)c(O)c3C[C@@H]2O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL200715", "category": ["biolink:ChemicalEntity"], "name": "(-)-CATECHIN", "xref": ["InChIKey:PFTAWBLQPZVEMU-HIFRSBDPSA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1272251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHOUUNTAVCXBN-ZDUSSCGKSA-N", "SMILES:O=C1C[C@@H](c2cc(O)cc(O)c2)Oc2cc(O)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL9249", "category": ["biolink:ChemicalEntity"], "name": "(+)-EPITAXIFOLIN", "xref": ["InChIKey:CXQWRCVTCMQVQX-GJZGRUSLSA-N", "SMILES:O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL66", "category": ["biolink:ChemicalEntity"], "name": "(+)-TAXIFOLIN", "xref": ["InChIKey:CXQWRCVTCMQVQX-LSDHHAIUSA-N", "SMILES:O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL451720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNNKDMSXVRADT-UITAMQMPSA-N", "SMILES:COc1cc(/C=C\\C(=O)NCCc2ccc(O)cc2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2392475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXGUTQNKCXHALN-YHYXMXQVSA-N", "SMILES:O=C(/C=C\\c1ccc(O)cc1)NCCc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2392474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJIDRFNRDLYHNC-SECBINFHSA-N", "SMILES:O=C1CC[C@@H]2c3cc(O)c(O)cc3CCN12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL237766", "category": ["biolink:ChemicalEntity"], "name": "PRONUCIFERINE", "xref": ["InChIKey:WUYQEGNOQLRQAQ-CQSZACIVSA-N", "SMILES:COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@H]3N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL37736", "category": ["biolink:ChemicalEntity"], "name": "LIRIODENINE", "xref": ["InChIKey:MUMCCPUVOAUBAN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2448604", "category": ["biolink:ChemicalEntity"], "name": "(6R,6AR)-ROEMERINE-NBETA-OXIDE", "xref": ["InChIKey:OXPULTLJRYLGDW-NWGPWHLASA-N", "SMILES:C[N+]1([O-])CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXHPQGURBVOQOA-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=S)Nc1cccc2cccnc12"]}
{"name": "Glutaminyl-peptide cyclotransferase", "xref": ["CHEMBL.TARGET:CHEMBL4508"], "id": "UniProtKB:Q16769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWYKMOURUOLROB-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=S)Nc1ccc2cnccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNVGCMGLCJHET-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=S)Nc1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KURHRNHBAZYCOP-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=S)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJNIIGNNYDAYJM-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=S)Nc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUGZURSRKNATOC-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=S)Nc1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFJLQXYFZSVOD-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCJACHHFBAEAO-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCF)Oc1cccc(C2=NCCO2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIURSEJMCKFEQG-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOYHUFFASXCSK-RQZHXJHFSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(NC(=O)N2CCCCC2)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOYHUFFASXCSK-CYYJNZCTSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(NC(=O)N2CCCCC2)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDDXLNXKLXZMLM-QPLCGJKRSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(NC(=O)N2CCCC2)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDDXLNXKLXZMLM-OCEACIFDSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(NC(=O)N2CCCC2)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIVKYNZWBHXJLN-QPLCGJKRSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(NC(=O)N(CC)CC)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIVKYNZWBHXJLN-OCEACIFDSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(NC(=O)N(CC)CC)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVTWNSIMQDNKLU-VHXPQNKSSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(NC(=O)N(C)C)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVTWNSIMQDNKLU-WCWDXBQESA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(NC(=O)N(C)C)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDLIKPQBKRILF-SGEDCAFJSA-N", "SMILES:CCCCCC(=O)Nc1ccc(/C(=C(\\CC)c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDLIKPQBKRILF-BYCLXTJYSA-N", "SMILES:CCCCCC(=O)Nc1ccc(/C(=C(/CC)c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULMQUWMVXMMMF-IZHYLOQSSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULMQUWMVXMMMF-OCOZRVBESA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSHYWRYPXOKGP-BZZOAKBMSA-N", "SMILES:CCC(=O)Nc1ccc(/C(=C(\\CC)c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSHYWRYPXOKGP-WJTDDFOZSA-N", "SMILES:CCC(=O)Nc1ccc(/C(=C(/CC)c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBNRWJKKXKWRA-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(SCc3nc4ccccc4s3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INEHQGMIZDVJBY-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6cc(NC(=O)c7cc(NC(=O)c8nc(NC(=O)CCNC(=O)CCNC(=O)CCCCCCC(=O)NO)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYAUOTPHWZKVPU-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6cc(NC(=O)c7cc(NC(=O)c8nc(NC(=O)CCNC(=O)CCNC(=O)c9ccc(NC(=O)CCCCCCC(=O)NO)cc9)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECJMTPEVWQFCY-UHFFFAOYSA-N", "SMILES:Oc1nc2ccc(Br)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOASVNMVYBSLSU-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(S)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYUVEJORWCZUPP-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(SCCC(=O)O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYJDHYQQMTZXGV-WMWQKROPSA-N", "SMILES:NC1=NC(=O)/C(=C\\C=C\\c2ccc([N+](=O)[O-])o2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBIDRCIXOIYKC-MJIGAOGXSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](F)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2F)c(=O)[nH]1"]}
{"name": "Cyclic di-GMP phosphodiesterase RocR", "xref": ["CHEMBL.TARGET:CHEMBL2396510"], "id": "UniProtKB:Q9HX69", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFDLKSEZWEFGL-MHARETSRSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKZFZOPRWQKKK-MRXNPFEDSA-N", "SMILES:CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N(C(=O)OC(C)C)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IORWRUWAEHOFPC-BJXGRRSKSA-N", "SMILES:O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cc2ccccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILOSWLLMCBDRY-RTOPKKFASA-N", "SMILES:O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFWDKCMZDSXLMZ-RTOPKKFASA-N", "SMILES:O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKQEWIBMAXBON-MDZDMXLPSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)NNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNLWXRDCKWIDY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRRLHDVXGXINDY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVUHBENWLBKIMX-MQMHXKEQSA-N", "SMILES:CNC(=O)c1ccc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOUKWZMPPMODY-MQMHXKEQSA-N", "SMILES:CNC(=O)c1cc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIALSINRMWLVLW-ODNAPOIPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(C)C)CCNC(=O)NCCCCN(CC(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQWNZRAAAHGCM-ALERXTORSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFMNOKIPXJKJCB-YKYHQJSKSA-N", "SMILES:COc1ccccc1COc1ccccc1/C=C/C=C1\\SC(=S)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXNBAOLVPAWYLT-NVNXTCNLSA-N", "SMILES:O=C1NC(=S)S/C1=C\\c1cc(Br)ccc1OCc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXYHOBIHWLDSZ-UHFFFAOYSA-N", "SMILES:CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKQSSJIYWOEPP-UHFFFAOYSA-N", "SMILES:Cn1c(-n2nccn2)nc2c(N)nc(CCCCO)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMSFWLUZEDMXMM-UHFFFAOYSA-N", "SMILES:CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGABQFRWHDCFEU-UHFFFAOYSA-N", "SMILES:CCCC(O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMIGLUFGYBLMJG-FFYSAJPISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOHAOGINVKWHLM-ACYVAXHUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)CCC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAZFYBUUYWZTRA-SQYMMGATSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)CC1)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTUWUPNINPQTG-IZQJLSQASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)CC1CCN(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)CC1)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3037906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLUSSJQGFFRYIN-GIFOGOQFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)C1CCCC(CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C1)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVVFLPYYTUYGAZ-SQYMMGATSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)COCCOCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHDCJSZYMEPPE-GRWQKLALSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)CCCCCCCCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKLJKGXYFFOIW-QIMJNAALSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)CCCCCCCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCIWRYQMQLNIMG-DXEDVKHQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)CCCCCCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSZRABLONQUBE-BRFNFMHHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)CCCCCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPSWRHIYZOHTR-OYGUWNHKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)CCCCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWIJHWZZUHCAR-YGPKSXICSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)CCCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNPGOIGGYMOGD-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1cccc(OCC#N)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMJWNYVSPLVKJU-UQXJJJGTSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1cccc(/C=C/C=C/c2cccc([N+](=O)[O-])c2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHANNSNEYLLLPM-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2cccc(N)c2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPHAHGPEIHLZNN-JNDFZVOESA-N", "SMILES:Cc1ccc(C(/C=C/c2ccccc2)=N/NC(=N)N)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGIZRPOIZIHSA-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C2CC(=O)NC(N)=N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3436353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBNQRYHJVRWTL-UHFFFAOYSA-N", "SMILES:Cl.Cl.NC1CCC(NC2CCC(N)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIRHXNKGZVKIJ-UHFFFAOYSA-N", "SMILES:N=C(NC1CCC(C2CCC(N)CC2)CC1)C(=N)NC1CCC(C2CCC(N)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTNPABNQGFLCGN-VHEBQXMUSA-N", "SMILES:CC(=O)c1ccc(/N=N/c2c(N)nc(N)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEYEHZVFTYXCC-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2cccc(N)c2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1986410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIWSHDRDLZSARM-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2cccc(N)c2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRRCYGPDKJSMY-VDPSFHEQSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCc5cccnc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHYDZHOMRMKNBF-MCEGCHEGSA-N", "SMILES:COc1ccc(CCNCCC[C@](C)(O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOGZVZGIQYWNFF-VDPSFHEQSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCc5ccncc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTNLTKMTNYQFBF-VDPSFHEQSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCc5ccccn5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRYUVPGSCQTFT-LGSXJDRXSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCCCc5ccccc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAORJBXTGMLMEN-MIDLQUATSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCCc5ccc6c(c5)OCO6)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAKTLCUDMGWIV-UWJYMKDWSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCCc5ccc([N+](=O)[O-])cc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFEZEYQMFWUNMP-UWJYMKDWSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCCc5ccc(Cl)cc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGKBIUBLQFRHND-UWJYMKDWSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCCc5ccccc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQLVWSPWFMXHC-MIDLQUATSA-N", "SMILES:COc1ccc(CNCCC[C@](C)(O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAUFKBGVVXDNM-RAMDELSOSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCc5ccc(Cl)cc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAIFFXYXNBZSOW-RAMDELSOSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCc5ccc(F)cc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPFQNDGJQZHDEJ-UWJYMKDWSA-N", "SMILES:COc1ccc(CNCCC[C@](C)(O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUCPORHPVROVMZ-GSZPNNGISA-N", "SMILES:C[C@H](NCCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOUNNOEBGPLSJ-RAMDELSOSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCCNCc5ccccc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSLOYDWQKCWYDC-WLGZLQKQSA-N", "SMILES:CN(CCO)/[N+]([O-])=N\\Oc1cc(N2CCN(CC(=O)O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAYEEAEMASIJH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc3c(c12)CCCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOJOEIHXHEWTI-UHFFFAOYSA-N", "SMILES:Cc1sc2nc(-c3ccc(O)c(O)c3)[nH]c(=O)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCNQVXXENXLPI-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc3c(c12)CCCCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVXCRTXGCXFHI-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMKAGIWATGZXJM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc3c(c12)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXAFMSQRYGOLLR-UHFFFAOYSA-N", "SMILES:CCCc1c(CC)sc2nc(-c3ccc(O)c(O)c3)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVXYTBGORBGDA-UHFFFAOYSA-N", "SMILES:CCCCc1c(C)sc2nc(-c3ccc(O)c(O)c3)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYVPLADXNNKMJB-FALOATQWSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIYQCJDQBRUFEV-FALOATQWSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMLAMMQCZSVEN-BKXCAEITSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOFSGXMEXDNSSX-LJADHVKFSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRALWRIHZBPHGE-ZZTWKDBPSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRAPYLRPXRROPZ-ZZTWKDBPSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIIFIZJGWVBQN-PRTBYXSSSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)(C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBDLYSGCUQWQD-LJADHVKFSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](COP(=O)(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKXWBHCNVBGTBO-RDWYAJLZSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXBVRPZTEWMMQV-QZCIJFHVSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWELUWGXUHRCKO-QZCIJFHVSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXINJWPGRARTOZ-BKXCAEITSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399680", "category": ["biolink:ChemicalEntity"], "name": "BUFALIN", "xref": ["InChIKey:QEEBRPGZBVVINN-BMPKRDENSA-N", "SMILES:C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O"], "chembl_natural_product": true}
{"name": "H(+)/Cl(-) exchange transporter 3", "xref": ["CHEMBL.TARGET:CHEMBL2401603"], "id": "UniProtKB:P51790", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2069023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFFIAADGYJRDIR-HKANKZDDSA-N", "SMILES:COC(=O)CCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)CC[C@]32O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463065", "category": ["biolink:ChemicalEntity"], "name": "DESACETYLBUFOTALIN", "xref": ["InChIKey:MWFCMSURKYLINK-QDLCSJEJSA-N", "SMILES:C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)C[C@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USWOVAGRUBOXNT-WGDLNXRISA-N", "SMILES:O=C(/C=C/c1ccccc1Br)/C=C/c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQBPDVGMBFDRL-UHFFFAOYSA-N", "SMILES:NC1CCC(Nc2nc(NCc3ccc(-n4cccn4)cc3)c3ncn(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AINDQZQBSRTGQF-UHFFFAOYSA-N", "SMILES:NC1CCC(Nc2nc(NCc3ccc(-c4cccc(F)c4)nc3)c3ncn(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDEXMDFOZRJJIN-UHFFFAOYSA-N", "SMILES:NC1CCC(Nc2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWWJCNJBUUFOQ-UHFFFAOYSA-N", "SMILES:NC1CCC(Nc2nc(NCc3ccc(-c4ccoc4)nc3)c3ncn(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJNPHCMZNHMLAQ-UHFFFAOYSA-N", "SMILES:NC1CCC(Nc2nc(NCc3ccc(-c4cccs4)nc3)c3ncn(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVKLAINVJNUJNX-UHFFFAOYSA-N", "SMILES:NC1CCC(Nc2nc(NCc3ccc(-c4ccccc4O)nc3)c3ncn(C4CCCC4)c3n2)CC1"]}
{"name": "Testis-specific serine/threonine-protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL6003"], "id": "UniProtKB:Q9BXA7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSMDSFVQGDIQQ-IOWGZZRXSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CCCCCCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSZCUROGBVVUSP-VJBPQSTDSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CCCCCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGSFOAQPGBGFFT-DRQOZCJDSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CCCCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQLWXGCRFJUDHZ-XIKCKBGFSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CCCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCAUHGBKWVFDBE-PJPYIVHJSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARWNSSJFJLNQOG-AATRIKPKSA-N", "SMILES:COc1cc(/C=C/c2ccc(NCc3cc(N(C)C)ccc3O)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDUDZPNGRTASE-ONEGZZNKSA-N", "SMILES:CN(C)c1ccc(O)c(CNc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTZXXIYPZPFQTH-GKAPJAKFSA-N", "SMILES:CC(=O)N[C@@H](CCP(=O)(O)CC(CCC(=O)O)C(=O)O)C(=O)O"]}
{"name": "Tubulin polyglutamylase TTLL7", "xref": ["CHEMBL.TARGET:CHEMBL2401604"], "id": "UniProtKB:A4Q9F0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBTVOHNDHFNRHH-DTIOYNMSSA-N", "SMILES:CCNC(=O)[C@H](CCP(=O)(O)CC(CCC(=O)O)C(=O)O)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1483261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISSDERVCVSJHT-UHFFFAOYSA-N", "SMILES:c1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQSCCXOZWMIQW-ROUUACIJSA-N", "SMILES:CCCCCCCCc1ccc(C[C@H](O)[C@@H](N)CO)cc1"]}
{"name": "Sphingosine kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL2401605"], "id": "UniProtKB:Q8CI15", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQSCCXOZWMIQW-ZWKOTPCHSA-N", "SMILES:CCCCCCCCc1ccc(C[C@@H](O)[C@@H](N)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLVCULLOGKYOO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKKCXMZBGDTIT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZVGQYBGTZZIB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=S)[nH]c2c(-c3ccc(S(F)(F)(F)(F)F)cc3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQVXSNNAFNGRAH-SXBFPYQPSA-N", "SMILES:C[C@@]1(C(=O)Nc2ccc([18F])nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQWIBJDMASYON-KRWDZBQOSA-N", "SMILES:COc1cc(Nc2ncc(Br)c(-c3cccc(CC#N)c3)n2)ccc1N1CCN(C)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQWIBJDMASYON-QGZVFWFLSA-N", "SMILES:COc1cc(Nc2ncc(Br)c(-c3cccc(CC#N)c3)n2)ccc1N1CCN(C)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALEQEKDBZYEVEQ-UHFFFAOYSA-N", "SMILES:CNc1nc(N)nc2c1ncn2Cc1cc(I)c(OC)cc1C(C)C"]}
{"name": "P2X purinoceptor 3", "xref": ["CHEMBL.TARGET:CHEMBL2401608"], "id": "UniProtKB:Q3UR32", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNCHTYGSVVUGW-OTKIHZFJSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NC(CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDOZSWURHOAHSB-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCCN(CCn1cncc1[N+](=O)[O-])Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBIQNSKADEMLG-IXPCYXQGSA-N", "SMILES:COc1ccc2[nH]cc([C@H](CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(N)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWBJHLJMBYNKV-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cncc(C3=NCCCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVQNZSIEXOYAGE-UNOMPAQXSA-N", "SMILES:COc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCN(C(=O)N1CCN(C)CC1)C3)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVGQVUFEKIVQTO-UHFFFAOYSA-N", "SMILES:CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQWCUSLVWPUCF-UHFFFAOYSA-N", "SMILES:CCCCN(C(=O)OCCN1CCN(C)CC1)c1nc(SCC)nc2c1cnn2CC(Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXXDWHFXXQDDJ-UHFFFAOYSA-N", "SMILES:CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPAULQSJLVKHP-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173394", "category": ["biolink:ChemicalEntity"], "name": "BRILLIANT BLUE G", "xref": ["InChIKey:RWVGQQGBQSJDQV-UHFFFAOYSA-M", "SMILES:CCOc1ccc(Nc2ccc(/C(=C3/C=C/C(=[N+](/CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)cc2)cc1.[Na+]"], "synonym": ["Brilliant blue g", "Coomassie brilliant blue g", "Bbg-250", "Brilliant blue g", "C.i. acid blue 90", "Coomassie blue g 250", "Coomassie blue g-250", "NSC-328382", "Tissueblue"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2407630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAOSHCZHKBUIHB-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)NC2CC2)C2CC3CC(C2)CC1C3)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWJJLYZBWRIBCZ-UGTJMOTHSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2407808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEHKHDALWKJSHL-UHFFFAOYSA-N", "SMILES:Cc1ccn2c(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)c(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METKHBKAYLOUKZ-UHFFFAOYSA-N", "SMILES:Cc1ccn2c(C(=O)NCc3ncc(C(F)(F)F)cc3Cl)c(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1372836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSMVOANBVDZNG-LFYBBSHMSA-N", "SMILES:CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(F)cc3)cc2)s1"]}
{"name": "Prostaglandin E2 receptor EP2 subtype", "xref": ["CHEMBL.TARGET:CHEMBL2488"], "id": "UniProtKB:Q62053", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Vitamin D3 receptor", "xref": ["CHEMBL.TARGET:CHEMBL5601"], "id": "UniProtKB:P48281", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096435", "category": ["biolink:ChemicalEntity"], "name": "Ro-281675", "xref": ["InChIKey:NEQSWPCDHDQINX-MRXNPFEDSA-N", "SMILES:CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBOJMQHVUEKBE-UHFFFAOYSA-N", "SMILES:Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL373339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTEMBHHJYAKKNK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2408701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXBINVVCDSEHM-UHFFFAOYSA-N", "SMILES:O=c1c(C2Nc3ccccc3S(=O)(=O)N2)coc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHFAARVXMYJTEZ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3ccc3[nH]ccc43)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFSMLDUZFVINX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2nc(C#N)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRQRUHQDUYTFF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)C3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFLDVBITVQPULG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(C(=O)c2ccsc2)c2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYHDAGPPJTNHW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCKICNEBFFWGE-UHFFFAOYSA-N", "SMILES:COC(=O)c1nn(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOKSKHWGOAWJSA-UHFFFAOYSA-N", "SMILES:COC(=O)c1nn(C(=O)c2cccc(C)c2)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEDHQNDVWMJPW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(C)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCGFGRFEADLGDR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQDQVYGCTAVNKI-UHFFFAOYSA-N", "SMILES:COC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMTQOTNFTZMUKV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)CC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYJNQQDJUOUFQJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2409605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQGQBHYGCQYHMP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1ncnc(Nc2cc(OC)c(OC)c(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYLNKQMHHFCIV-GIQLWTPPSA-N", "SMILES:CO[C@H]1C=C[C@H]2C/C=C\\C[C@H](c3ccc(-c4ccccc4C(F)(F)F)cc3)OC(=O)C[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1413622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIEYFOHSWAIQDF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVHGZKFQYKDJRP-CXUHLZMHSA-N", "SMILES:CCOC(=O)c1csc(N/N=C(\\C)c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYZOHIFSMWJKGX-UNOMPAQXSA-N", "SMILES:C/C(=N/Nc1nc(-c2ccccc2)cs1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL557959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTGOPTWEELVVIO-CXUHLZMHSA-N", "SMILES:CCOC(=O)c1csc(N/N=C(\\C)c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319244", "category": ["biolink:ChemicalEntity"], "name": "CAFFEIC ACID PHENETHYL ESTER", "xref": ["InChIKey:SWUARLUWKZWEBQ-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2409142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZGRHSRWTILCID-FIXISWKDSA-N", "SMILES:C=C[C@@H]1[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2409140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRGNVROICAKYCS-LPOXYFBYSA-N", "SMILES:CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2[C@H](Cl)CCN3C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2409141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLMGOUKRILOLN-AWBCAMRRSA-N", "SMILES:CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2[C@H](C)CN3C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2407539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXMECSUONUSQW-VOTSOKGWSA-N", "SMILES:Cc1cc(O)c(C(=O)/C=C/c2ccccc2F)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSKISFLIRPOYCF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCPGOBWDZEESH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNc1c2c(nc3ccccc13)CCCC2)NCCCCCc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARWRWQZYSRKYIU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNc1c2c(nc3ccccc13)CCCC2)NCCCc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCSFTCUUDKFBPK-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNc1c2c(nc3ccccc13)CCCC2)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"name": "Cytochrome b-245 heavy chain", "synonym": ["NADPH oxidase 2"], "xref": ["CHEMBL.TARGET:CHEMBL1287627"], "id": "UniProtKB:P04839", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2408101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZOPYIDDKUIKV-RUDMXATFSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(C(=O)N3CCOCC3)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPVFVPRCILRHRE-QOVAEWSBSA-N", "SMILES:Cc1c(C)c(-c2ccc(OCc3cn(CCCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nn3)cc2)c(O)c(O)c1-c1ccc(O)cc1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 4", "xref": ["CHEMBL.TARGET:CHEMBL2406900"], "id": "UniProtKB:Q13107", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTNALOYVNJHSP-UHFFFAOYSA-N", "SMILES:Cc1c(C)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 5", "xref": ["CHEMBL.TARGET:CHEMBL6158"], "id": "UniProtKB:P45974", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase isozyme L1", "xref": ["CHEMBL.TARGET:CHEMBL6159"], "id": "UniProtKB:P09936", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012938", "category": ["biolink:ChemicalEntity"], "name": "VIALININ A", "xref": ["InChIKey:NOJUKCRPSUMHQQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Oc1c(OC(=O)Cc2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2408830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKXMXSDKMQWTR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Oc4cccc(COc5no[n+]([O-])c5S(=O)(=O)c5ccccc5)c4)n3)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTFFGGKUJWXQG-CXUHLZMHSA-N", "SMILES:COc1cc(C(=O)O)c(/C(=C\\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL37537", "category": ["biolink:ChemicalEntity"], "name": "PROTOCATECHUIC ACID", "xref": ["InChIKey:YQUVCSBJEUQKSH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL145", "category": ["biolink:ChemicalEntity"], "name": "CAFFEIC ACID", "xref": ["InChIKey:QAIPRVGONGVQAS-DUXPYHPUSA-N", "SMILES:O=C(O)/C=C/c1ccc(O)c(O)c1"], "synonym": ["Caffeic acid", "Caffeic acid", "Cinnamic acid, 3,4-dihydroxy-", "Trans-3,4-dihydroxycinnamic acid", "Trans-caffeate", "Trans-caffeic acid", "2-PROPENOIC ACID, 3-(3,4-DIHYDROXYPHENYL)-, (2E)-", "NSC-57197", "NSC-623438", "Caffeic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2409227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQGZYMZKLUPJT-VGOFMYFVSA-N", "SMILES:CC(C)(C)c1cc(/C=C(/C(=O)O)c2cc(O)c(O)cc2C(=O)O)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQOVRDJQOKEHD-UNXLUWIOSA-N", "SMILES:O=C(O)/C(=C/c1cc(O)c(O)c(O)c1)c1cc(O)c(O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBJBAKVIKEZBR-YCRREMRBSA-N", "SMILES:O=C(O)/C(=C/c1ccc(O)c(O)c1)c1cc(O)c(O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJOUNFAKLPBLDQ-VZUCSPMQSA-N", "SMILES:O=C(O)/C(=C/c1ccc(O)cc1)c1cc(O)c(O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJDJCKWWIKHIA-IZZDOVSWSA-N", "SMILES:O=C(O)/C(=C/c1ccccc1)c1cc(O)c(O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQFUXGSYNBXYBY-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(NCc3ccccc3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCJVBIUUOTUXPR-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3ccccc3c(NCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1401821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCTFNTVNBAELQN-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCDKKZASRZMHC-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1ccc(-c2ccccc2N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHZRCMIMQMCMJI-UHFFFAOYSA-N", "SMILES:c1ccc2cc(Cn3cc(CN(Cc4cn(Cc5ccc6ccccc6c5)nn4)Cc4cn(Cc5ccc6ccccc6c5)nn4)nn3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIOMQJARFWQBQP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCn1cc(COCc2cn(CCCN3C(=O)c4ccccc4C3=O)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNPZRSFESTBAF-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2cc(Cn3cc(COCc4cn(Cc5ccc6c(c5)C(=O)c5ccccc5C6=O)nn4)nn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOGYSALFGMCFV-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(Cn2cc(COCc3cn(Cc4ccc(C(=O)c5ccccc5)cc4)nn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELPEACSBASIAL-UHFFFAOYSA-N", "SMILES:c1ccc2cc(Cn3cc(CCCCc4cn(Cc5ccc6ccccc6c5)nn4)nn3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPUPRVYGQKQFT-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2C(=O)O)c1"]}
{"name": "2-heptyl-4(1H)-quinolone synthase PqsD", "synonym": ["3-oxoacyl-ACP synthase"], "xref": ["CHEMBL.TARGET:CHEMBL3559673"], "id": "UniProtKB:A0A0C7ACN7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJLRAOTHHGGDY-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNOMZKMKBNFCMC-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2414162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIHNCMPGHXEKBB-AQTBWJFISA-N", "SMILES:O=C1N=C(O)S/C1=C\\c1ccc(OCCCCc2ccccc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESPYGVLVDGDPF-ATVHPVEESA-N", "SMILES:O=C1N=C(O)S/C1=C\\c1ccc(OCCCc2ccccc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIGWHIGVVSNMHC-DHDCSXOGSA-N", "SMILES:O=C1N=C(O)S/C1=C\\c1ccc(OCc2ccccc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJZYDPRMWYWYCG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGYDBQRRRBPHS-UHFFFAOYSA-N", "SMILES:Clc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256709", "category": ["biolink:ChemicalEntity"], "name": "KETANSERIN TARTRATE", "xref": ["InChIKey:KMTLTEVOQLMYRS-UHFFFAOYSA-N", "SMILES:O=C(O)C(O)C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGVPDIRQHPPLFU-OPRDCNLKSA-N", "SMILES:Cc1cn([C@H]2C[C@@H](S(=O)(=O)CC(=O)O)[C@@H](CS(=O)(=O)CC(=O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGVPDIRQHPPLFU-KXUCPTDWSA-N", "SMILES:Cc1cn([C@H]2C[C@H](S(=O)(=O)CC(=O)O)[C@@H](CS(=O)(=O)CC(=O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGEPAYGCHCBIAR-DJLDLDEBSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](CS(=O)(=O)CC(=O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWDISIJKHWWPKD-KXUCPTDWSA-N", "SMILES:Cc1cn([C@H]2C[C@H](SCC(=O)O)[C@@H](CSCC(=O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIGITTHDCHERBD-HRDYMLBCSA-N", "SMILES:Cc1cn([C@H]2C[C@H](S(=O)(=O)CC(=O)O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOBMWUDUUVWSBK-ZYHUDNBSSA-N", "SMILES:COC(=O)CSC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C=C1SCC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHSHKQSGVMNRMP-IVZWLZJFSA-N", "SMILES:COC(=O)CS(=O)(=O)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFUHKNMOIJWDE-IJLUTSLNSA-N", "SMILES:COC(=O)CSC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1SCC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZCDNDMMPCTXKZ-IJLUTSLNSA-N", "SMILES:COC(=O)CS(=O)(=O)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1S(=O)(=O)CC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZCDNDMMPCTXKZ-GRYCIOLGSA-N", "SMILES:COC(=O)CS(=O)(=O)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1S(=O)(=O)CC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGAZGKCSUYXQX-KXUCPTDWSA-N", "SMILES:COC(=O)CS(=O)(=O)[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQWTWBICALZVGM-KXUCPTDWSA-N", "SMILES:COC(=O)CS[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVJFRYOMOGZIOA-HBNTYKKESA-N", "SMILES:CCOC(=O)CN[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKNIYMHUPZONE-HRDYMLBCSA-N", "SMILES:Cc1cn([C@H]2C[C@H](SCC(=O)O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBUOKLNCXLKCOD-DJLDLDEBSA-N", "SMILES:Cc1cn([C@H]2C[C@H](NCC(=O)O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGFAVYFKYAKJM-DJLDLDEBSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OCC(=O)O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDCZBFKRYZMXKE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NC(=S)N3CCCCN23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPVWJNAVTWKMR-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2NC(=S)N3CCCCN23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGDDZMBHGHKBP-UHFFFAOYSA-N", "SMILES:Oc1cccc(C2NC(=S)N3CCCCN23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKPOSARMWSKRI-UHFFFAOYSA-N", "SMILES:S=C1NC(c2cccc(Cl)c2)N2CCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWAHMUUEBIDOFL-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2NC(=S)N3CCCCN23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEFDFKLSLOSNFW-UHFFFAOYSA-N", "SMILES:S=C1NC(c2ccccc2)N2CCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBRGTYWTVSEUDW-UHFFFAOYSA-N", "SMILES:S=C1NC(Cc2ccccc2)N2CCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSFBOUVNTYTRTA-UHFFFAOYSA-N", "SMILES:CC1NC(=S)N2CCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835919", "category": ["biolink:ChemicalEntity"], "name": "PF-04620110", "xref": ["InChIKey:GEVVQZHMFVFGLN-HDJSIYSDSA-N", "SMILES:Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2"], "synonym": ["Pf-04620110", "PF-4620110"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXVPDDBLSBAAB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2cn3c(CN4CCNCC4)csc3n2)c1)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCEHKMAGNGYJNG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2cn3c(CN4CCNCC4)csc3n2)c1)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQCAKLZJIYATFP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2cn3c(CN4CCNCC4)csc3n2)c1)c1cnc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVTUNXMBJSZRS-XQQPTAJKSA-N", "SMILES:O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSALNGJMPHAYKJ-PEISPCAHSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYQRNTJYAAQKGH-DGDSNLKDSA-N", "SMILES:O=C(NCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDXHUVWMIIQUEJ-RGTFROLJSA-N", "SMILES:O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACMVUIFERIFEK-CYGHRXIMSA-N", "SMILES:O=C(COc1ccc(Cl)c(Cl)c1)NCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYYFEGGTZWTEO-CYGHRXIMSA-N", "SMILES:O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XABGQJPIXOCGOY-PNEFNFSBSA-N", "SMILES:COc1ccc2c(c1)C(CC(=O)NCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLSHVXEMNAIGP-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OCCCCCCCn2c3ccc(OC)cc3c3c(C)ccc(C)c32)cc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOHIWKTWAROZJO-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OCCCCCCn2c3ccc(OC)cc3c3c(C)ccc(C)c32)cc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIEIIRDQDBMBIY-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OCCCCCn2c3ccc(OC)cc3c3c(C)ccc(C)c32)cc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSISCAKZKHUUDZ-FIPFOOKPSA-N", "SMILES:CC(C)(N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]2(CC1)C(=O)Nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAPBOBYFZVYEJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccnc3c(CNC(=N)N)ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEAZXRBXSBNAH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccnc3c(CN)ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOYKDMOEKAUIC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cccc3c(CNC(=N)N)ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIYYUKNPNVICH-UHFFFAOYSA-N", "SMILES:CC(=N)NCc1cccc2c(-c3ccc(C(C)(C)C)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVSNOHPDRZLPF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ncnc3c(CNC(=N)N)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAATXUMIRPMHET-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ncnc3c(CN)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTFXVPQDPHIPB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cnc3c(CNC(=N)N)cccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKXGXYBLWAGLFU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(-c2cnc3c(CNC(=N)N)cccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXJSPJLEUZHYCF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc(C(=O)NCCN)cc(-c3cnc4ccccc4n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBEWOOOJWIRBRY-UHFFFAOYSA-N", "SMILES:C[n+]1cc(-c2cc(C(=O)NCCO)cc(-c3ccc(C(C)(C)C)cc3)c2)nc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PROUIIOVHCKJTK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc(C(=O)NCCO)cc(-c3cnc4ccccc4n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIDQOUWMZPAKSJ-UHFFFAOYSA-N", "SMILES:C[n+]1cc(-c2cc(C(N)=O)cc(-c3ccc(C(C)(C)C)cc3)c2)nc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQOYJKGLAFGLO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc(C(N)=O)cc(-c3cnc4ccccc4n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXZPSRGBGCMFB-UHFFFAOYSA-M", "SMILES:COC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)cc(-c2c[n+](C)c3ccccc3n2)c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFPVONMWFKVANT-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)cc(-c2cnc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNGUDPOADJAYBK-UHFFFAOYSA-M", "SMILES:C[n+]1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQRQKPUUJRRWDB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cnc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHZURWTDJECNR-UHFFFAOYSA-M", "SMILES:C[n+]1cc(-c2cccc(C(C)(C)C)c2)nc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKZKPESVLSKTBI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(-c2cnc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOBCKADZWXZPKT-UHFFFAOYSA-M", "SMILES:C[n+]1cc(-c2cccc(-c3ccccc3)c2)nc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQOVQWUQBASBRE-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cccc(-c3cnc4ccccc4n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJSCPAXCLLORH-UHFFFAOYSA-M", "SMILES:C[n+]1cc(-c2cccc(F)c2)nc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJHMGMRPGSKBGU-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cnc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPADOLJCLBOMC-UHFFFAOYSA-M", "SMILES:C[n+]1cc(-c2ccccc2)nc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL69695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNCDHYYJATYOG-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETAJGFQEVXMLG-UHFFFAOYSA-M", "SMILES:C[n+]1ccnc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39444", "category": ["biolink:ChemicalEntity"], "name": "QUINOXALINE", "xref": ["InChIKey:XSCHRSMBECNVNS-UHFFFAOYSA-N", "SMILES:c1ccc2nccnc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2414118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBPGLRHVWQYWFM-ICWVDDBFSA-N", "SMILES:CCCCCNC(=O)/C=C/C=C/CC/C=C/c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVKGJFDVCFBCP-UXBLZVDNSA-N", "SMILES:Nc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKYOOYLCOXSMOV-FNORWQNLSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc(N)cc2O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLUPYJBIYFILOG-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2c[nH]c3ccccc23)oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTRXURJDKOYCCD-UHFFFAOYSA-N", "SMILES:Clc1ccc(N2CCN(Cc3cc4ccccn4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVSNQBMLUDOWHS-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFALMGBZVKYODL-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFIPQCJZNQOMQ-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(Cc3ccccc3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTLQFDSKYMSRAD-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVKQYQCYGVTBD-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQRVICMQFUJBJE-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(Cc2csc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVGHPDSXXGXQT-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPOPWNSAWBPGOR-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(Cc2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQOOJNNFPCENEO-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(Cc3cccnc3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFWITKOFBJCHE-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(Cc2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCIZFJJDTYKVFG-UHFFFAOYSA-N", "SMILES:Oc1ccc(N2CCN(Cc3cccs3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFIWLJVMRKLFE-UHFFFAOYSA-N", "SMILES:Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRSTWOYEDHKWAG-UHFFFAOYSA-N", "SMILES:Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHLCVDDLDKASN-UHFFFAOYSA-N", "SMILES:Fc1ccc(N2CCN(Cc3cccs3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCLCIUHCAHLFPM-UHFFFAOYSA-N", "SMILES:Oc1ccccc1N1CCN(Cc2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDONYUOCHXODQS-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(Cc2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPQYPRDZEFGRKD-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(Cc3cccs3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKJCYPAWMASKGX-UHFFFAOYSA-N", "SMILES:Clc1ccccc1N1CCN(Cc2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPMRHGOCCQDFC-UHFFFAOYSA-N", "SMILES:Fc1ccccc1N1CCN(Cc2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJFYIOSTLFWJR-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(Cc3cccs3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEBAIHGYPDMHNN-QGWJVEIISA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(NC(=O)Nc5ccc(Cl)cc5)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIHBUQRQQNXEND-GVQBMFDGSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(NC(=O)NCCBr)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GANUXHKUIZSHNX-GVQBMFDGSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(NC(=O)NCCCl)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMMZLBLVSPNMZ-NEVPTIFISA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(C(=O)N[C@@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZVLQLHSXVIDH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3c(ccc4ccccc43)c(=O)c2OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77966", "category": ["biolink:ChemicalEntity"], "name": "RETUSIN", "xref": ["InChIKey:HHGPYJLEJGNWJA-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL144625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIANDVQAMEDFL-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2)oc2ccccc2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2419745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIHPYGVYKSQDLA-OFVILXPXSA-N", "SMILES:N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIOZFUQHFTZSM-IPPBACCNSA-N", "SMILES:O=C1c2cnn(Cc3ccccc3)c2NC(c2ccccc2Cl)N1/N=C/c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIXITWDYSJUBU-MUFRIFMGSA-N", "SMILES:COc1ccc(/C=N/N2C(=O)c3cnn(Cc4ccccc4)c3NC2c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPYJZRCLJCLBL-LSHDLFTRSA-N", "SMILES:COc1cc(/C=N/n2cnc3c(cnn3Cc3ccccc3)c2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEIFRHMKIXVPLN-UHFFFAOYSA-N", "SMILES:CC1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2417685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQYYLDGRRJWKO-VWLOTQADSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2417682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZSFWXXFHHBQTB-QFIPXVFZSA-N", "SMILES:COc1ccc(C(=O)CNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2417696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGZAKFJQKCMPT-DSITVLBTSA-N", "SMILES:CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATCBLYHOUOCTO-UHFFFAOYSA-N", "SMILES:CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKTUZAYNCRKLDS-YIXHJXPBSA-N", "SMILES:COc1cc(C/C=C(/Cl)Cc2cc(O)cc(O)c2)c(OC)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGYSNOUOCKPDTD-KNPOPJAVSA-N", "SMILES:Oc1cc(O)c2c(c1)C/C(Cl)=C\\Cc1cc(c(Cl)cc1O)Oc1c(O)cc(cc1O)C/C(Cl)=C\\Cc1cc(c(Cl)cc1O)O2"]}
{"name": "Cell division protein FtsZ", "xref": ["CHEMBL.TARGET:CHEMBL2417349"], "id": "UniProtKB:A5Z1V5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1423"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYDSBYHZHSIDY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)C(c2ccc(OC)c(OC)c2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WESKEMDOEVQWRR-UHFFFAOYSA-N", "SMILES:COC(=O)C1C(=O)NC(SCC(=O)Nc2ccc(C)cc2Br)=C(C#N)C1c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXKULUAGSEAKG-UHFFFAOYSA-N", "SMILES:CCCSC1=C(C#N)C(c2cc(Br)c(O)c(OC)c2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVFJPCAVIXRITP-DEDYPNTBSA-N", "SMILES:COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWCVPUNKLPXFU-ZNFUCCHLSA-N", "SMILES:O=C(O)c1cc(-c2ccc(/C=C3\\S/C(=N\\c4ccccc4)N(Cc4ccccc4)C3=O)o2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCTUNVQJKHNCQV-HYARGMPZSA-N", "SMILES:COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAXDGQHFMIPPMD-XXMKCSCWSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYQNBXHTKPTLGX-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)sc2cccc(Cl)c21)OCc1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWJRNBKDPIIEG-CIAFOILYSA-N", "SMILES:COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFVBCWUPWUXJD-HZHRSRAPSA-N", "SMILES:CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KABZUQZQDJDIKE-ITICKHJUSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFQQWGKFOQDQKJ-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCNC(=S)Nc2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONPDTCCWIQYILF-HZHRSRAPSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDLFGNNNZWBGS-UHFFFAOYSA-N", "SMILES:CC(O)C(NC(=O)c1ccc(N2CCN(C(=O)Cc3cccc4ccccc34)CC2)nc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVHRVLPSCDXSQ-CALCHBBNSA-N", "SMILES:O=C(N1C[C@@H]2CN(c3ccccn3)C[C@@H]2C1)N1CCC2(CCCC2)C1"]}
{"name": "Metabotropic glutamate receptor 8", "xref": ["CHEMBL.TARGET:CHEMBL3228"], "id": "UniProtKB:O00222", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Metabotropic glutamate receptor 6", "xref": ["CHEMBL.TARGET:CHEMBL4573"], "id": "UniProtKB:O15303", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKKJOBNGCNHOY-PMACEKPBSA-N", "SMILES:COC(=O)[C@H](CCCCN)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL169046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INBGSXNNRGWLJU-ZHHJOTBYSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1243244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZPAXNJLEKLXNO-QUOSNDFLSA-N", "SMILES:CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1278089", "category": ["biolink:ChemicalEntity"], "name": "CHOLESTAN-3beta,5alpha,6beta-TRIOL", "xref": ["InChIKey:YMMFNKXZULYSOQ-RUXQDQFYSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2417658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDNXMIXJHEPQE-AFUMVMLFSA-N", "SMILES:COc1ccc(/C(=C\\c2cn(C(C)=O)c3ccc(OCc4ccccc4)cc23)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63507", "category": ["biolink:ChemicalEntity"], "name": "S-NITROSOGLUTATHIONE", "xref": ["InChIKey:HYHSBSXUHZOYLX-WDSKDSINSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1435319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJLVZKEUWCGIA-UHFFFAOYSA-N", "SMILES:CCN(CC)N(O)N=O.CCNCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98797", "category": ["biolink:ChemicalEntity"], "name": "NITROSOBENZENE", "xref": ["InChIKey:NLRKCXQQSUWLCH-UHFFFAOYSA-N", "SMILES:O=Nc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2419244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBMXDWXZPSEJLJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)OC1(N=O)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1681831", "category": ["biolink:ChemicalEntity"], "name": "1-NITROSOCYCLOHEXYL ACETATE", "xref": ["InChIKey:GOPUAEYNVWXBPR-UHFFFAOYSA-N", "SMILES:CC(=O)OC1(N=O)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTMRAKAVHPQVLR-UHFFFAOYSA-N", "SMILES:O=S(=O)(NO)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1681830", "category": ["biolink:ChemicalEntity"], "name": "1-NITROSOCYCLOHEXYL TRIFLUOROACETATE", "xref": ["InChIKey:ITZWOGOHMPIVFX-UHFFFAOYSA-N", "SMILES:O=NC1(OC(=O)C(F)(F)F)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627016", "category": ["biolink:ChemicalEntity"], "name": "ANGELI'S SALT", "xref": ["InChIKey:JMMCYSCEKRWYEJ-UHFFFAOYSA-M", "SMILES:[Na+].[Na+].[O-]N=[N+]([O-])[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUEYGLBTPNFKRZ-UAAHXEIOSA-N", "SMILES:CO[C@H]1C[C@H](C)Cc2cc(O)cc3c2O[C@@H]1[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)CC(=O)C[C@](C)(O)C(=O)N3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2419114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPFKXBRAIMKSHO-PVMVKREDSA-N", "SMILES:CO[C@H]1[C@@H](OC)C[C@H](C)[C@@H](OC)C2=CC(=O)C(=O)C(=C2O)NC(=O)/C(C)=C/C=C\\[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2419113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYBQYXANPDPLKQ-DJQZFUDLSA-N", "SMILES:CO[C@H]1[C@@H](OC)C[C@H](C)[C@@H](OC)c2cc3c(c(c2O)NC(=O)/C(C)=C/C=C\\[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H]1C)SCC(=O)N3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL479533", "category": ["biolink:ChemicalEntity"], "name": "HERBIMYCIN", "xref": ["InChIKey:MCAHMSDENAOJFZ-GDYSMBPZSA-N", "SMILES:CO[C@H]1[C@@H](OC)C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(C)=C/C=C/[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H]1C)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2419440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAAWESBJYLHFAS-UHFFFAOYSA-N", "SMILES:CCc1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc(C#N)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325429", "category": ["biolink:ChemicalEntity"], "name": "SB-743921", "xref": ["InChIKey:PGXYIBJJCLWJST-MUUNZHRXSA-N", "SMILES:Cc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1"], "synonym": ["Sb 743921", "Sb-743921", "SB-743921", "SB-743921 FREE BASE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVEPYAGOSGVFCI-UHFFFAOYSA-N", "SMILES:CCCCc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFYMGJSUKCDVJR-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(N)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFCIYARZLYLPRK-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWTIXOWAJDXNDM-UHFFFAOYSA-N", "SMILES:CCCCCc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICYVIKZGAWNIC-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMJNZRRWLKDLJS-UHFFFAOYSA-N", "SMILES:Cc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQQKDKRGDUBCF-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2oc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGPBZLJJQECOD-UHFFFAOYSA-N", "SMILES:CCCCc1cc2c(N)nc3ccccc3c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMOXFRPLVVACMP-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(N)nc3ccccc3c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWAAHTYMJCMWIG-UHFFFAOYSA-N", "SMILES:NCCc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BITKAPWCMDNGBS-UHFFFAOYSA-N", "SMILES:NCc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORQFCPHKRJEHK-UHFFFAOYSA-N", "SMILES:CCOCCc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYJPIGQGZAVSDL-UHFFFAOYSA-N", "SMILES:CC(O)Cc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCAHEFBWYOQTFB-UHFFFAOYSA-N", "SMILES:CC(C)CC(O)c1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDDSKAFKOWHKH-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYSRAZLYCJDPBZ-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2cc(CCCCO)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDLAEUPUGSOGL-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2cc(CCCO)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZPSJXGQMFSVCA-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2cc(CCO)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYZYENTWKQQOTC-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2cc(CO)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDSPOSDCBIJLX-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2cc(Cc3ccccc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIZUBSGQZCUZMF-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2cc(-c3ccccc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIXPIAYWNUKBHL-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2cc(CC3CCCCC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNEBZSQWYZQJFJ-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2cc(CC3CCCC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZQOISBDDYSGFT-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2cc(C3CCCC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITRCOMGVORLAH-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2cc(C3CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJWHULUUGRIGH-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPKWYZOMZTWTH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOIDUAPYDMEQU-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc2c(o1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCHNVZXKGBOMKA-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTHAQGLUUIJDB-CHSHITCJSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4F)cc3F)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTKRCPHQXJOFW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NO)cc1"]}
{"name": "Transcriptional regulator MvfR", "synonym": ["DNA-binding transcriptional regulator"], "xref": ["CHEMBL.TARGET:CHEMBL2424500"], "id": "UniProtKB:A0A072ZLE6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHNPRCVWFWOCPO-UHFFFAOYSA-N", "SMILES:CCCCCCCc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1383520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAVULPOOAHQYDZ-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL154085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXXKQIRGQDWOJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTVBRZFMWHDIOO-NSHDSACASA-N", "SMILES:Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGUQGNWNDPTPDO-VIFPVBQESA-N", "SMILES:Nc1nc2[nH]cc(Cc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173655", "category": ["biolink:ChemicalEntity"], "name": "AFATINIB", "xref": ["InChIKey:ULXXDDBFHOBEHA-CWDCEQMOSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1"], "synonym": ["Afatinib", "Afatinib", "Afatinib", "Afatinib", "Afatinib", "Bibw 2992", "Tomtovok", "Tovok", "BIBW-2992", "BIBW2992", "NSC-750691", "Gilotrif", "Giotrif", "Afatinib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2425444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPLCSJZNAXQEB-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)c(O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYKJZEFTPCBTFN-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(O)c(-c3ccc(O)c(O)c3)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDKAWODVIYSFHR-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKRSZCUTIHYTHP-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSZVVITZFXSJGU-WKEKBRLYSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](OCCO)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUSLLPSBKBOGOG-JYTOJRSNSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](OCCCCO)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1081721", "category": ["biolink:ChemicalEntity"], "name": "CITRONELLAL", "xref": ["InChIKey:NEHNMFOYXAPHSD-SNVBAGLBSA-N", "SMILES:CC(C)=CCC[C@@H](C)CC=O"], "chembl_natural_product": true}
{"name": "Tubulin beta-6 chain", "xref": ["CHEMBL.TARGET:CHEMBL2424501"], "id": "UniProtKB:P29514", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXPOMCEKWAGSX-LJQANCHMSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425137", "category": ["biolink:ChemicalEntity"], "name": "CYANIN", "xref": ["InChIKey:RDFLLVCQYHQOBU-ZOTFFYTFSA-O", "SMILES:OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL311498", "category": ["biolink:ChemicalEntity"], "name": "CIANIDANOL", "xref": ["InChIKey:PFTAWBLQPZVEMU-DZGCQCFKSA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2"], "synonym": ["Cianidanol", "Catechin", "Catechin", "Catechin, d-", "Catechinic acid", "Catechuic acid", "Catergen", "D-catechol", "NSC-2819"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL404515", "category": ["biolink:ChemicalEntity"], "name": "CYANIDIN", "xref": ["InChIKey:VEVZSMAEJFVWIL-UHFFFAOYSA-O", "SMILES:Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2424812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEHSERYKENINRH-UHFFFAOYSA-N", "SMILES:O=C(O)CCN(O)C(=O)CCCCCCCCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYEAZWRDYOTZIN-SFIJKNBRSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(C(=O)O)cc3[nH]2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCKGOZZJDHMNC-UVYPSEKWSA-M", "SMILES:C[14CH2][N+]([14CH2]C)([14CH2]C)[14CH2]C.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUNYTZNXPYRMU-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOHBZHINRHDHJL-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnn3c2nc(NCCCc2ncc[nH]2)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQRBVHMERAOTA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1nc2c(-c3ccccc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYDBWWYBXNMOT-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1nc2c(-c3ccccc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZYKWGAOFBFAH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1nc2c(-c3ccccc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOGAIRAKFVYJTR-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1nc2c(-c3ccccc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHZTMYXMVZZSP-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC1N=C2C(c3ccc(Cl)cc3)=CNN2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDOQBULHCXQDIS-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZENQFPUIFQOKO-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGWZVCDTYEFGI-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQQZAIFPILDTE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBPWXSPGBYYSAT-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCCYIQGHRGKMGQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC1N=C2C(c3ccc(C(F)(F)F)cc3)=CNN2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSUXZXIJTBBBKN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZIOKVVQXICQS-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOAMAVWLRJYWOJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=CNN3C2=NC(NCCCN(C)C)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQBRUQMODCQXOC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1nc2c(-c3ccc(OC)cc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQXXYCGHCNOGHD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnn3c2nc(NCCN(C)C)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYJSVYUODNUHQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnn3c2nc(OCCCN(C)C)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGVCYSLJAIWNX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1nc2c(-c3ccc(OC)cc3)cnn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPGANJSNDJAYQK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnn3c2nc(OCCN(C)C)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBNCGNOAGSRRZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1nc2cc(-c3ccccc3)nn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRSISMSYOJBBO-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1nc2cc(-c3ccccc3)nn2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUUNTXAGWWCWQD-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2ccccc2n2nc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKKXXHVZMPLOIT-UHFFFAOYSA-M", "SMILES:N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1cc[n+](Cc2ccc(F)cc2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRPGNWQVJUWOTB-ICNWDRPZSA-N", "SMILES:Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(CO[11CH3])n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLJEIYYKHTWBI-DWRUBXQFSA-N", "SMILES:Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(O[11CH3])c(F)cn2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRPGNWQVJUWOTB-FDDCHVKYSA-N", "SMILES:COCc1nc(C)ncc1OC[C@@]1(c2cccc(F)c2)C[C@H]1C(=O)Nc1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJMOWSZJCVAPM-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Br)OCC3n1cc(-c2ccccn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJAYSRXAHHPUNP-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Br)OCC3n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJXCLLPKXVMMV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(C3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWDAAZYCKYHNQ-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-c2cn(C3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHLUJALRZWQNTR-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2cn(C3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJEGHKGHUYZRFS-UHFFFAOYSA-N", "SMILES:CCCc1ccc(-c2cn(C3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMHZYHYXWNJHQW-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cn(C3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYUUJEFKDGPGTI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(C3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QARPFIIFDLZKDM-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Br)OCC3n1cc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLVZHAVEAAZLJ-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Br)OCC3n1cc(-c2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWRGDXMTCDGWLK-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Br)OCC3n1cc(-c2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQANZMTXWUKWTD-UHFFFAOYSA-N", "SMILES:COC(=O)c1nnn(C2COC3=C(Br)C(=O)C(=O)c4cccc2c43)c1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLUADSVWIHIOMJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C2COC3=C(Br)C(=O)C(=O)c4cccc2c43)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAGHFKSXKZLPOG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(C2COC3=C(Br)C(=O)C(=O)c4cccc2c43)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNHRNBXQUONOPB-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OCC3n1cc(-c2ccccn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUYWFDDYXKGSOA-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OCC3n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNUFEAVGAVFOV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(C3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PISQISDORFIFBK-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-c2cn(C3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZYKDXGDQVOPE-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2cn(C3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXZJFGYRYCZTQ-UHFFFAOYSA-N", "SMILES:CCCc1ccc(-c2cn(C3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKOIDMCERVMJPQ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cn(C3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFQGNNSHVFJNJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(C3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHUXNSNSUAWQJS-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OCC3n1cc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSWBXOSPIHLJJ-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OCC3n1cc(-c2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHQDXPBZJIBQFS-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc3c2C(=C1Cl)OCC3n1cc(-c2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFXXCUQHAQVYMM-UHFFFAOYSA-N", "SMILES:COC(=O)c1nnn(C2COC3=C(Cl)C(=O)C(=O)c4cccc2c43)c1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJVHLQKZKUDPN-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C2COC3=C(Cl)C(=O)C(=O)c4cccc2c43)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQVJYPCWGPQSSN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(C2COC3=C(Cl)C(=O)C(=O)c4cccc2c43)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTAUEDXRDZJQP-UHFFFAOYSA-N", "SMILES:C#CCNCC(O)COc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVJZOCDOWYOLCZ-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTNGYLSGVBLJM-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccc(OCc3ccccc3)c2)cc(-c2cc(Cl)cc(I)c2O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRBRJQYGLEINZ-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(-c2cc(Cl)ccc2O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426136", "category": ["biolink:ChemicalEntity"], "name": "NAMOLINE", "xref": ["InChIKey:DYEGRZKBJMKSKD-UHFFFAOYSA-N", "SMILES:O=c1c(Cl)c(C(F)(F)F)oc2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYZVACPJDKKEE-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1-c1cn[nH]c1"]}
{"name": "RecQ-like DNA helicase BLM", "xref": ["CHEMBL.TARGET:CHEMBL1293237"], "id": "UniProtKB:P54132", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLCANXAUUKTXQB-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccccc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHGAGKBKLVOLFO-WRUSOHNXSA-N", "SMILES:CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1"]}
{"name": "Actin", "xref": ["CHEMBL.TARGET:CHEMBL2424507"], "id": "UniProtKB:P53476", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5811"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEKCRWAFVYJECW-XYDQKOHOSA-N", "SMILES:CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL257166", "category": ["biolink:ChemicalEntity"], "name": "JASPAMIDE", "xref": ["InChIKey:GQWYWHOHRVVHAP-DHKPLNAMSA-N", "SMILES:C/C1=C\\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2424677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRWIINODRIXUJU-UHFFFAOYSA-N", "SMILES:CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(C5CCCN5)CC4)c(Nc4ccccc4)c3)cc2C1"]}
{"name": "Lethal(3)malignant brain tumor-like protein 3", "xref": ["CHEMBL.TARGET:CHEMBL1287623"], "id": "UniProtKB:Q96JM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQOOIERVZAXHBP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2426375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBWFOTDCVMCZMZ-UHFFFAOYSA-N", "SMILES:CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(C5CCCN5)CC4)cc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWBMTFDCCHSMQU-DEOSSOPVSA-N", "SMILES:CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVFHXONMCDHFX-SANMLTNESA-N", "SMILES:CC(C)(C)NC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWNMMGUDIRLNBH-SANMLTNESA-N", "SMILES:CC(C)(C)C(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207456", "category": ["biolink:ChemicalEntity"], "name": "PITTSBURGH COMPOUND B", "xref": ["InChIKey:ZQAQXZBSGZUUNL-BJUDXGSMSA-N", "SMILES:[11CH3]Nc1ccc(-c2nc3ccc(O)cc3s2)cc1"], "synonym": ["(11c)-6-oh-bta-1", "(11c)pib", "Pittsburgh compound b", "Pittsburgh compound b c-11", "PIB C-11"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVCEBMLYVGBLA-UHFFFAOYSA-N", "SMILES:CC(=C(C#N)C#N)c1ccc2cc(N(C)CCF)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOKUJTYFHYECM-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1nn(-c2ccc(OCCF)cc2)c(=O)c2c(N)scc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZUNDKXETOITGV-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2c(N)scc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIABVIUHNKXAMD-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(N)scc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXJBAGWBUEINU-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccccc1C(=O)OCO/N=[N+](\\[O-])NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMANHOMACRVNKK-UHFFFAOYSA-N", "SMILES:CCCCCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYIJMBVCMJECP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYARJPVOTXCYHD-UHFFFAOYSA-N", "SMILES:CCCCCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWIURPAVBBZINX-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)oc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVBGHBKKCNCNGK-ATVHPVEESA-N", "SMILES:O=C(/C=C1\\NCC2c3ccccc3CCN2C1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNFSOSPDJUFDE-PMACEKPBSA-N", "SMILES:O=P(O)(O)[C@H](O)c1ccc(-c2cccc([C@H](O)c3ccc(Cl)c(Cl)c3)c2)cc1"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL2429710"], "id": "UniProtKB:P35234", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNFSOSPDJUFDE-UXHICEINSA-N", "SMILES:O=P(O)(O)[C@H](O)c1ccc(-c2cccc([C@@H](O)c3ccc(Cl)c(Cl)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEUVIKQOEXBPOQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2ccccc2C(F)(F)F)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFASCHAWPQEYTQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)Cc2ccccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJQSWSCZXIBDAD-FECWTRRMSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C#N)n(-c3ccccc3C#N)c3ccccc23)c2ccccc2OC12CCOCC2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431768", "category": ["biolink:ChemicalEntity"], "name": "LCL-161", "xref": ["InChIKey:UFPFGVNKHCLJJO-SSKFGXFMSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1"], "synonym": ["Lcl 161", "Lcl-161", "Lcl161", "Nvp-lcl 161", "LCL161"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2429934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFIZBFATVJKQR-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCC(C#N)C(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2372311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNOGCDKPALYUIG-QJCLFNHPSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)CC(C)(C)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214186", "category": ["biolink:ChemicalEntity"], "name": "SINEFUNGIN", "xref": ["InChIKey:LMXOHSDXUQEUSF-YECHIGJVSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"], "synonym": ["Sinefungin", "Sinefungine", "Sinefungina", "COMPOUND 57926", "LILLY 57926", "LY-57926", "Sinefungin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2430934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGFWTYKXWVVUEC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCCNCCCN)cc(OC)c1C2=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2430976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWFBSIPDIOZWSD-OBAFKZMCSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](N)CCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2430983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMQAANXGYCZIW-KRWDZBQOSA-N", "SMILES:Cn1nc(-c2ccncc2)cc1NC(=O)[C@H](Cc1ccccc1)NCC(=O)O"]}
{"name": "Probable G-protein coupled receptor 142", "xref": ["CHEMBL.TARGET:CHEMBL2069162"], "id": "UniProtKB:Q7TQN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEOKIKNGKDOHGH-CEXWTWQISA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVJWTTGWRBQGGJ-GBPMROLRSA-N", "SMILES:CCCCCCCCCCCCN(CCCCCCCCCCCC)[C@H](CCC(=O)N[C@@H](C/C=C/[C@@H](N)C(=O)O)C(=O)O)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANPVVIQONRJPNV-NEPYBHLTSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@H](CCC(=O)N[C@@H](C/C=C/[C@@H](N)C(=O)O)C(=O)O)C(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2434991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNJJALZPJFALE-RNYWQZRJSA-N", "SMILES:CCCCCCCCCCCCN(CCCCCCCCCCCC)[C@H](CCC(=O)N[C@@H](/C=C/C[C@@H](N)C(=O)O)C(=O)O)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWLUKLJAPIRBFW-ZFEVYGQFSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@H](CCC(=O)N[C@@H](/C=C/C[C@@H](N)C(=O)O)C(=O)O)C(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437367", "category": ["biolink:ChemicalEntity"], "name": "LICOAGRONE", "xref": ["InChIKey:MEJLVLSNRYLDSG-MDCVPAOJSA-N", "SMILES:CC(C)=CCc1cc(C(=O)C2(c3cc(O)c(O)cc3/C=C3\\Oc4c(ccc(O)c4CC=C(C)C)C3=O)Oc3cc(O)c(CC=C(C)C)cc3C2=O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL253467", "category": ["biolink:ChemicalEntity"], "name": "ISOBAVACHALCONE", "xref": ["InChIKey:DUWPGRAKHMEPCM-IZZDOVSWSA-N", "SMILES:CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2437368", "category": ["biolink:ChemicalEntity"], "name": "LICOAGRODIN", "xref": ["InChIKey:IUNNUKJWKPJUCQ-AHJAKLPMSA-N", "SMILES:CC(C)=CCc1cc([C@]23Oc4cc(O)c(CC=C(C)C)cc4C(=O)[C@H]2[C@H]2c4ccc(O)cc4O[C@@H]4Oc5c(ccc(O)c5CC=C(C)C)[C@@]42O3)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2436690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSIEQWILAQNOJ-UHFFFAOYSA-N", "SMILES:O=c1ccoc2cc(OCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZIHQUSMIZDMC-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)NCC(C)(C)C[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFCJIRRYJWGINZ-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)NCC(C)(C)C[N+](C)(C)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYQHSFWHMKZDL-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CCC[N+](C)(C)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436861", "category": ["biolink:ChemicalEntity"], "name": "TRIMETHYL-[3-(TETRADECANE-1-SULFONYLAMINO)-PROPYL]-AMMONIUM IODIDE", "xref": ["InChIKey:FEBZWTSUDFBMPE-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)NCCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRLJZVWRBDBBGH-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)NCCC[N+](C)(C)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVOBWPAFKKZUMA-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCS(=O)(=O)NCCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVVDTDYEIROSG-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCS(=O)(=O)NCCC[N+](C)(C)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGNINUVOIUHEON-UHFFFAOYSA-M", "SMILES:C=CC[N+](C)(C)CCN(C)S(=O)(=O)CCCCCCCCCCCCCC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBYVNXIIBYMGAJ-UHFFFAOYSA-M", "SMILES:C=CC[N+](C)(C)CCN(C)S(=O)(=O)CCCCCCCCCCCCCCCC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHLBOWEYROELT-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULCPWUHUFLFTBQ-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)N(C)CCC[N+](C)(C)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTVLTVWGLELGE-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)N(C)CCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRNPAEPGRBWYNA-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(C)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKUFPFYSTLTFCY-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVMKUYYIVIPZRR-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(C)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFACQDWLIHJMHP-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXKHVBIRARBLV-UHFFFAOYSA-M", "SMILES:C=CC[N+](CC)(CC)CCN(C)S(=O)(=O)CCCCCCCCCCCCCCCC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCEAPVOSLOTYDQ-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](CC)(CC)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWJNYCMNQZWII-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(CC)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJQLQEMVMWSWEX-UHFFFAOYSA-M", "SMILES:C=CC[N+](CC)(CC)CCN(C)S(=O)(=O)CCCCCCCCCCCCCC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2434988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKFLRGNXOFVLB-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](CC)(CC)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWTBQDGFIVXWFT-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(CC)CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435339", "category": ["biolink:ChemicalEntity"], "name": "(20S,21S)-7-CYCLOHEXYLFLUOROCAMPTOTHECIN", "xref": ["InChIKey:VKPQSUNKQWVMGD-FTJBHMTQSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1c-3nc2ccccc2c1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYQJHYMBOHKPF-RPWUZVMVSA-N", "SMILES:CCCCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)CO[C@@H](F)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXBIHYFOOMIJD-RTWAWAEBSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1cc2cc(OC)ccc2nc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNFGWBFKGUWGT-UXHICEINSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1cc2c([N+](=O)[O-])cccc2nc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435327", "category": ["biolink:ChemicalEntity"], "name": "(20S,21S)-FLUOROCAMPTOTHECIN", "xref": ["InChIKey:PODXSGSAUXEGAW-UXHICEINSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1cc2ccccc2nc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435326", "category": ["biolink:ChemicalEntity"], "name": "(20S,21R)-FLUOROCAMPTOTHECIN", "xref": ["InChIKey:PODXSGSAUXEGAW-PMACEKPBSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2CO[C@@H]1F)Cc1cc2ccccc2nc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIJQZRWMIFTHG-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(-c2ccccc2)cc1)c1cccc(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237370", "category": ["biolink:ChemicalEntity"], "name": "CINNAMIC ACID HYDROXAMATE", "xref": ["InChIKey:LHTLDFWBUPYUDR-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1Cl)NO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL217285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOVSBFFBCDNHK-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556", "category": ["biolink:ChemicalEntity"], "name": "DEFEROXAMINE", "xref": ["InChIKey:UBQYURCVBFRUQT-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN"], "synonym": ["Deferoxamine", "Desferrioxamine", "Deferoxamine", "Deferoxamina", "Deferoxamine", "Deferoxamine", "Desferoxamine b", "Desferrioxamine b", "Dfo-b", "NSC-527604", "Deferoxamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL351806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYHBQIDTNHWJF-FQEVSTJZSA-N", "SMILES:O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESQXHICSJQYCG-VMPITWQZSA-N", "SMILES:COc1cc(-c2cc3cc(/C=C/C(=O)O)cc(OC)c3o2)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFXVXCFLGXNOC-QPJJXVBHSA-N", "SMILES:COc1cc(/C=C/C(=O)O)cc2cc(-c3ccc(N(C)C)c(F)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAGCGCMAAVWQPK-RUDMXATFSA-N", "SMILES:COc1cc(/C=C/C(=O)O)cc2cc(-c3ccc(N(C)C)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32749", "category": ["biolink:ChemicalEntity"], "name": "FERULATE", "xref": ["InChIKey:KSEBMYQBYZTDHS-HWKANZROSA-N", "SMILES:COc1cc(/C=C/C(=O)O)ccc1O"], "synonym": ["Ferulic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2435531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUDELIGBWVBQV-QPJJXVBHSA-N", "SMILES:COc1cc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDESEZXBCLVUTD-ZZXKWVIFSA-N", "SMILES:CN(C)c1ccc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BREJHKUDWGBPLD-FPYGCLRLSA-N", "SMILES:CN(C)c1ccc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJCEJYMLMYSLV-UHFFFAOYSA-N", "SMILES:O=C(CC12CC3CC(CC(C3)C1)C2)NOC(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCUDUCYYLYHYDR-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)ONC(=O)CC34CC5CC(CC(C5)C3)C4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRDULDFPKZHPS-LPUATBJRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(N)=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAWXEDQAPPUEQT-LPUATBJRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFKRSHIVUJWHR-WLPHHANZSA-N", "SMILES:COC(=O)CNC(=O)[C@@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFKRSHIVUJWHR-XNRNYREUSA-N", "SMILES:COC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGDOCFMHOBMVBM-CMPKZVFFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(=O)NCC(N)=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKUCIZQDMEQPN-NOVZVQPBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGDOCFMHOBMVBM-NOVZVQPBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(N)=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDFGXHKELXONK-NGWIDZLTSA-N", "SMILES:COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-].Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDFGXHKELXONK-LBMJVLSVSA-N", "SMILES:COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-].Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRDULDFPKZHPS-HMSIPQCMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(=O)NCC(N)=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAWXEDQAPPUEQT-HMSIPQCMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(=O)NCC(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL317488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOOJLZTTWSNHOX-UWVGGRQHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2435840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBSUWJGRALZRW-APBCIVCESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)O"]}
{"name": "Beta-adrenergic receptor kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4079"], "id": "UniProtKB:P25098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNIMTDJLUFBOE-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc3ncc(-c4cnn(-c5ccc(C#N)cc5)c4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFHPKMPWBFJZEY-UHFFFAOYSA-N", "SMILES:Clc1ccc2ncc(Br)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUELNBPHROFCEJ-UHFFFAOYSA-N", "SMILES:c1ccc(-n2cc(-c3cnc4ccc(NC5CCNCC5)nn34)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVAQFNXQCURCMB-QNGWXLTQSA-N", "SMILES:O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2cc(F)ccc2C(=O)O)c(-c2ccccc2)s1"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL2371"], "id": "UniProtKB:P20417", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJDEPYAHBAHLB-NQJOXQDMSA-N", "SMILES:C/C(=C/C(C)=C/c1nc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)C2CCCCC2)sc1-c1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXXAFZHWNGQUDN-UHFFFAOYSA-N", "SMILES:C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGIUGSUMLYVBEP-UHFFFAOYSA-N", "SMILES:C=CCN1C2CCC1C1CCC2N1C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477772", "category": ["biolink:ChemicalEntity"], "name": "PAZOPANIB", "xref": ["InChIKey:CUIHSIWYWATEQL-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O"], "synonym": ["Pazopanib", "Pazopanib", "Pazopanib", "Pazopanib", "Pazopanib", "GW-786034", "GW786034", "NSC-752782", "Votrient"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2436643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXAWWNVBZLYNU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(Sc2ncnc3nc[nH]c23)c1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGQHLWDWBCMNQL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZWDPWTSZJJTB-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(Cl)c2c(sc3ccccc32)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLXDQKEHKNYEP-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)NCC(=O)O)c(O)c2sc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWBQGACJJOIKA-RHEFHGCGSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134342", "category": ["biolink:ChemicalEntity"], "name": "THIOCTIC ACID", "xref": ["InChIKey:AGBQKNBQESQNJD-SSDOTTSWSA-N", "SMILES:O=C(O)CCCC[C@@H]1CCSS1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2436978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKIWEILHCXECO-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URLHXBBEIISVEY-FXXKCHFVSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIIIMJJTBBJHIV-FXXKCHFVSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQUQDCVNESTXAU-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CN(C)C)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2443005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUOARYPFOGJNNV-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVZDLGVIWKVAIO-GHCWVHGPSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(OCCCCCCC(=O)Nc5ccccc5N)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANNQXGOGDCTLP-KCZUQOQJSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccccc3OCCCCCCC(=O)NO)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMCODKVQIQYDV-YZCUKXFTSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(OCCCCCCC(=O)NO)c3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTKRCRAZCFSSL-YZCUKXFTSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(OCCCCCCC(=O)NO)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVOWETXUIRKOC-DKJDTLJOSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(NC(=O)CCCCCCC(=O)NO)c3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZHPYRITOSRMT-DKJDTLJOSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXDUTHBFYKGSAH-SFHVURJKSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2441475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHILAHDXYGCIPJ-UHFFFAOYSA-N", "SMILES:CCCCCn1c2ccc(C(=O)N3CCCCC3)cc2c2ccc(OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVHKFKXQNJYDP-PXNSSMCTSA-N", "SMILES:Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPLGROMQFNWKJK-QPJJXVBHSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHJPFLSAHTYUNW-ONEGZZNKSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJIBGJIYJVXKOK-QPJJXVBHSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCOc2cc3ncnc(Nc4cccc(C(F)(F)F)c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDUIFMHDBCSSLQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCOCCOCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLAIRHCSLFIZRL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCOCCOCCOc2cc3ncnc(Nc4cccc(C(F)(F)F)c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWFMGYMTZYWCP-QPJJXVBHSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSCYWBZWOOITKQ-GORDUTHDSA-N", "SMILES:O=C(/C=C/CN1CCOCC1)N1CCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQRWWCQOQLGWMF-GORDUTHDSA-N", "SMILES:O=C(/C=C/CN1CCOCC1)N1CCOc2cc3ncnc(Nc4cccc(C(F)(F)F)c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWMBDFBXVNJSMO-OWOJBTEDSA-N", "SMILES:O=C(/C=C/CN1CCOCC1)N1CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMWTBAKRTWVPA-GORDUTHDSA-N", "SMILES:O=C(/C=C/CN1CCOCC1)N1CCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKNJLYXHLNMFOI-GZMMTYOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)c1"]}
{"name": "Huntingtin", "xref": ["CHEMBL.TARGET:CHEMBL2439943"], "id": "UniProtKB:P51111", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENRDHOMCDRNAK-UPONEAKYSA-N", "SMILES:Nc1nc(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAYBJVCIJYJHX-GXFFZTMASA-N", "SMILES:O=C(c1ccncc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHGRMGZNAUJHL-JVXZTZIISA-N", "SMILES:Cn1cc(Br)c(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATHFMDNDYGQFT-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)c1"]}
{"name": "Type II restriction enzyme XhoI", "xref": ["CHEMBL.TARGET:CHEMBL2439945"], "id": "UniProtKB:Q9KVZ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:56459"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2443052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJZSNDZCYBOPIB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c4c(cccc24)C(=O)N(CCN(C)C)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2443051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFLWFTOVTPDRLR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c4c(cccc24)C(=O)N(CCN(C)C)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1644025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPJWSZCPOVPZHT-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(-c4cccc([N+](=O)[O-])c4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL70270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKQGGIKNHFHOA-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(-c4ccccc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2443054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEBXWBWCNKNFD-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(-c4cccc(C(F)(F)F)c4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2443055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZCFCZQAISQAS-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(-c4cccc(N)c4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2443053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKYFSAAVRAJNFN-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(-c4cccc(O)c4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGXDFPBSHYUJB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2443049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYIFXBMRTIRZOA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2443056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCGCHDQMWGBQX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc3c(C(C)=O)c(C)oc(=O)c3c(=O)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCRLEHCFCOQWCH-UHFFFAOYSA-N", "SMILES:CN(C)Cc1no[n+]([O-])c1C#N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRHHCYQYBTWHFN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1)Cc1no[n+]([O-])c1C#N.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPCFTLKHUONISF-UHFFFAOYSA-N", "SMILES:Clc1cncc(Cl)c1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAIRZPVWWIMPFT-UHFFFAOYSA-N", "SMILES:c1ccc2c(C3CCNCC3)c[nH]c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL236696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNXNPMDUDGUXOB-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(N3CCNCC3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2335165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYBLCORUTWKJOI-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCNCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKHOZLXKYFBVMY-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3037932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBHZDBKJHYBCW-AZEDOEKDSA-N", "SMILES:NCCCC[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOANWSOKQBHLB-LHJALYHRSA-N", "SMILES:N#Cc1ccc(C(=O)O[C@H]2C(=O)C=CN(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZRBFNEVPFDKJ-AYFFHWRWSA-N", "SMILES:N#Cc1cccc(C(=O)O[C@H]2C(=O)C=CN(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCTRRQICOSVZTP-FDZVTOMESA-N", "SMILES:COc1ccc(C(=O)O[C@H]2C(=O)C=CN(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOVFBBZEBQBPHP-QLRMLEDJSA-N", "SMILES:O=C(O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQYQPVNKMGYLPV-OOBXCVKESA-N", "SMILES:O=C(O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLKSQIUOMTAJK-XWXAVHJMSA-N", "SMILES:O=C(O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWXKFSXPQEOBA-OBZJFUGQSA-N", "SMILES:O=C(Cc1ccccc1)O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLUZFTFLPHJYDA-VUGCHJKLSA-N", "SMILES:O=C(/C=C/c1cccc(C(F)(F)F)c1)O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICRQYVLYSNIDU-ZNRZVBFGSA-N", "SMILES:O=C(O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQZDRXHWMSGIRN-UBGMWTFPSA-N", "SMILES:O=C1C=CN(C(=O)/C=C/c2ccccc2)[C@H](c2ccccc2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHYHWLXFPSOECG-PKTZIBPZSA-N", "SMILES:O=C(O[C@H]1C(=O)C=CN(C(=O)Oc2ccccc2)[C@@H]1c1cc(F)cc(F)c1)c1ccc(F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBLRKFNTFCGFGO-WDYNHAJCSA-N", "SMILES:O=C(O[C@H]1C(=O)C=CN(C(=O)Oc2ccccc2)[C@@H]1c1cccc(-c2ccccc2)c1)c1ccc(F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJPKUFRXGBWNR-RPWUZVMVSA-N", "SMILES:O=C(O[C@H]1C(=O)C=CN(C(=O)Oc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccc(F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQSQYXANADGNN-TZIWHRDSSA-N", "SMILES:CC(C)=C[C@@H]1[C@@H](OC(=O)c2ccc(F)cc2C(F)(F)F)C(=O)C=CN1C(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVDARQBRXLMUMY-UXHICEINSA-N", "SMILES:CC(C)[C@@H]1[C@@H](OC(=O)c2ccc(F)cc2C(F)(F)F)C(=O)C=CN1C(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCAOKORJROYAN-KZULUSFZSA-N", "SMILES:C[C@@H]1[C@@H](OC(=O)c2ccc(F)cc2C(F)(F)F)C(=O)C=CN1C(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSEOKMXWGJZRII-YADHBBJMSA-N", "SMILES:Cc1csc([C@@H]2[C@@H](OC(=O)c3ccc(F)cc3C(F)(F)F)C(=O)C=CN2C(=O)Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWDZNUXAYBZBCF-PKTZIBPZSA-N", "SMILES:O=C(O[C@H]1C(=O)C=CN(C(=O)Oc2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FERXSPCVEYOEDT-GFCCVEGCSA-N", "SMILES:C[C@@H](Sc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRZTTXPNOZNAIN-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cnc(NC)c(C(=O)c3ccc(F)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHNZPDKGVPJDQ-UHFFFAOYSA-N", "SMILES:O=C1CNC(=O)N1C12CC3CC(CC(C3)C1)C2"]}
{"name": "Cytohesin-2", "xref": ["CHEMBL.TARGET:CHEMBL5995"], "id": "UniProtKB:Q99418", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOUCRWJEKAGKKG-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cc(NC(C)=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIOSDBURWNOSL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(-c2csc(N)n2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFJSJMEVZWKRQ-UHFFFAOYSA-N", "SMILES:Cc1cc(O)ccc1NS(=O)(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDVWHQVGHPIFH-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPEYBXXTEOVTRV-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBTYZBRVLVNLHU-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBBWTDONNXQBPT-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2c(C)cc(O)cc2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1333563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYUAPWNBROVGR-UHFFFAOYSA-N", "SMILES:Cc1c(C(N)=O)sc(N)c1C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1370754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRFJMBJZYKSBU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255743", "category": ["biolink:ChemicalEntity"], "name": "TRANYLCYPROMINE HYDROCHLORIDE", "xref": ["InChIKey:ZPEFMSTTZXJOTM-OULXEKPRSA-N", "SMILES:Cl.N[C@@H]1C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVYXCBVBLKBRMT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(CSC(=S)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIFOQAYRZVMXPC-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)c2ccc3[nH]ccc3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOVMLGBTXVPKFU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(Cn3cncn3)c3ccc4[nH]ccc4c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBBGSQNJYBGBL-UHFFFAOYSA-N", "SMILES:CCn1ccc2c3nc(-c4ccccc4)cc(Cn4ccnc4)c3ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFEGGVFNZHCEMI-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc(Cn3ccnc3)c3ccc4[nH]ccc4c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYXQRAKMAWFHN-UHFFFAOYSA-N", "SMILES:CCn1ccc2c3c(Cn4ccnc4)cc(-c4ccccc4)nc3ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIAUAUNLKQBFPC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c1ccc1[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGRBTMITZRNAQK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccccc2)nc2c1ccc1[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNLAKDSBQDIJRK-MUGJNUQGSA-N", "SMILES:CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1)C(C)C"]}
{"name": "Dipeptidyl peptidase 4", "xref": ["CHEMBL.TARGET:CHEMBL2559"], "id": "UniProtKB:P81425", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYZEBAONRLEHC-JYJNAYRXSA-N", "SMILES:CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1974674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFEXTAKSAJFCKR-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIMJTFHOFINSI-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1nc2c(Oc3ccc(C(=O)NC4CCC4)cc3)c(Cl)cnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL530345", "category": ["biolink:ChemicalEntity"], "name": "CATHELICIDIN", "xref": ["InChIKey:POIUWJQBRNEFGX-XAMSXPGMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL405864", "category": ["biolink:ChemicalEntity"], "name": "PENITREM A", "xref": ["InChIKey:JDUWHZOLEDOQSR-OBPHCMCKSA-N", "SMILES:C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4[C@@H]5OC(C)(C)[C@H]6C[C@@H]7C(=C)Cc8c(Cl)cc9[nH]c(c5c9c8[C@@]76O)[C@@]43C)[C@@]23O[C@H]3[C@H]1O"], "chembl_natural_product": true}
{"name": "Calcium-activated potassium channel slo-1", "xref": ["CHEMBL.TARGET:CHEMBL3085614"], "id": "UniProtKB:Q95V25", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6239"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUGZVYOVNXDMJO-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMIHOUHIZOXAND-MRXNPFEDSA-N", "SMILES:O=C1c2cc(OC[C@H](O)CO)ccc2COc2cc(Nc3ccc(F)cc3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL288114", "category": ["biolink:ChemicalEntity"], "name": "GALLIC ACID", "xref": ["InChIKey:LNTHITQWFMADLM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)c(O)c(O)c1"], "synonym": ["Gallic acid", "Gallic acid", "Benzoic acid, 3,4,5-trihydroxy-", "Gallate", "NSC-20103", "NSC-674319"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1927722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJOAJCVIYRELX-UHFFFAOYSA-N", "SMILES:S=c1[nH]c2ccccc2c(=S)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRGOYNYLYMPGKH-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[nH]c(=S)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3088320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGAQMVRGXPRKM-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(SCc2ccccc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3088319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFELAOYYJGZQMD-UHFFFAOYSA-N", "SMILES:CCSc1nc2ccccc2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNBJSXMXXQLAW-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2c(=O)n1-c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYSHGYCBOHTAU-BAEGBANDSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H](CCc3ccccc3)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYSHGYCBOHTAU-ZUBDYPCQSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H](CCc3ccccc3)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNGVSXNOEMENTE-XYFKDZRBSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(\\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H]([C@H](Cc3ccccc3)NC(=O)NCc3ccccc3)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDSAVEMCPSUJOF-QXUSSCGESA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(\\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N2CC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDSAVEMCPSUJOF-XEZIGOATSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(\\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N2CC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSAGBCMUBZRCJ-YKXUKSTASA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(\\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSAGBCMUBZRCJ-YZBUDRBASA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(\\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVMIUXAPQDHGF-VWXIVLILSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H](CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVMIUXAPQDHGF-CHGHPAACSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H](CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHJPYPIGBXHHPM-OLCJBLMYSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(\\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H]([C@H](Cc3c[nH]c4ccccc34)NC(=O)NCc3ccccc3)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHJPYPIGBXHHPM-YQZOKAAQSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(\\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H]([C@H](Cc3c[nH]c4ccccc34)NC(=O)NCc3ccccc3)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOPSZVSHMWXLTF-RXJPVNSLSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H]([C@H](Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)NC(=O)OC(C)(C)C)N2CC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOPSZVSHMWXLTF-CCBLHZAOSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H]([C@H](Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)NC(=O)OC(C)(C)C)N2CC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDTIGNCSBVCPIC-YGXUVVMPSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H]([C@H](Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDTIGNCSBVCPIC-DNPXFVMRSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H]([C@H](Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGBBHNPZVCTISZ-UHFFFAOYSA-N", "SMILES:COc1cc2[se]n(CCC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTGHVQLCWVPIKL-VUQHRHODSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)CCCCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3[18F])nn2)cc1C(C)C"]}
{"name": "Neurotensin receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL3027"], "id": "UniProtKB:P20789", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Neurotensin receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL5106"], "id": "UniProtKB:Q63384", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWFAMSTHLTRGT-JJFKZQFGSA-N", "SMILES:B[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)CP(=O)(O)O"]}
{"name": "Ectonucleotide pyrophosphatase/phosphodiesterase family member 1", "xref": ["CHEMBL.TARGET:CHEMBL5925"], "id": "UniProtKB:P22413", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBBQVYTRYDROT-KQYNXXCUSA-N", "SMILES:CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLQLYUNDQWWPIM-KQYNXXCUSA-N", "SMILES:CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(F)(F)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAINGMDYZCRCHP-PFLBIVCZSA-N", "SMILES:B[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAINGMDYZCRCHP-GMJOMIMCSA-N", "SMILES:B[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWFAMSTHLTRGT-JFLFATDKSA-N", "SMILES:B[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRGMQYBPXHLCR-BUNLBPDVSA-N", "SMILES:B[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(SC)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOAHIVSIVEXRX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1nc(N)nc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAHMBKXASRRONG-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2nc(N)nc(Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIOUIMQQZZCOFQ-UHFFFAOYSA-N", "SMILES:COc1nn(C(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLSNATLUIXZPMV-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(C(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1)n1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL606201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYRAEKLMNDRFY-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGPGTWNUJZRGE-NSHDSACASA-N", "SMILES:COc1nn([C@@H](C)c2ccc(CC(C)C)cc2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWBDQAPIZBSRY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)c1nc2ncccc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3087170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIOUIMQQZZCOFQ-KRWDZBQOSA-N", "SMILES:COc1nn([C@@H](C)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBXOBRDWUCFFT-LBPRGKRZSA-N", "SMILES:COc1nn([C@@H](C)c2ccc(-c3ccccc3)cc2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPXQDYITLQPCQP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCC(Cc2ccc3ccccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTOYBIILVCHURC-UHFFFAOYSA-N", "SMILES:CCOC(=O)NCCCC(=O)NCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3086768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMBNWINDLRVJD-UHFFFAOYSA-N", "SMILES:O=C(CCCC(=O)NCCc1ccccc1)NO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3086775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAGSUALTAJFGRN-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1cn(-c2ccc(CCN3CCC(O)CC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMFYNHZBASPHQF-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CCCCN2CCC(O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVWZXZBFQIGXDL-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CCCN2CCC(O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXWCHZAGBSYJBP-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CN2CCC(O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDLEAJFMXPOKO-HXUWFJFHSA-N", "SMILES:CCCCCCCCc1ccc(CCN2CC[C@@H](O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDLEAJFMXPOKO-FQEVSTJZSA-N", "SMILES:CCCCCCCCc1ccc(CCN2CC[C@H](O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVNFTLDGZPKIA-UHFFFAOYSA-M", "SMILES:CCCCCCCCc1ccc(C[n+]2ccc(N3CCC(C)CC3)cc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRHVXPCOCDFAE-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CCN2CCC(=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNEOFQRNMJSTMT-VWLOTQADSA-N", "SMILES:CCCCCCCCCCCCc1ccc(CCN2CCC[C@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMXAJIUWBZYYLG-NRFANRHFSA-N", "SMILES:CCCCCCCCc1ccc(CCN2CCC[C@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXCYOGOEPBVZSJ-AWEZNQCLSA-N", "SMILES:Nc1nc2[nH]c(CCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFFIVGWDCAMQT-ZDUSSCGKSA-N", "SMILES:Nc1nc2[nH]c(CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFTJOYZLYVUUOD-LBPRGKRZSA-N", "SMILES:Nc1nc2[nH]c(CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSEZCYKANVEUMR-NSHDSACASA-N", "SMILES:Nc1nc2[nH]c(CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQEUPDXSHKECRJ-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]c(CCCCCCCCC(=O)O)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3088192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJGXFQBBNYXSOV-FBCOBZBLSA-J", "SMILES:Cc1cn([C@H]2C[C@H](n3nncc3-c3cccc4ccccc34)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)[nH]c1=O.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363559", "category": ["biolink:ChemicalEntity"], "name": "DEOXYTHYMIDINE_TRIPHOSPHATE", "xref": ["InChIKey:NHVNXKFIZYSCEB-XLPZGREQSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL193952", "category": ["biolink:ChemicalEntity"], "name": "ZIDOVUDINE TRIPHOSPHATE", "xref": ["InChIKey:GLWHPRRGGYLLRV-XLPZGREQSA-N", "SMILES:Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O"], "synonym": ["Azttp", "Combivir", "Zidovudine 5'-triphosphate (azttp)", "Zidovudine triphosphate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUBLYECGKVDFTH-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2cccnc2Oc2ccc(Nc3nc4ccc(F)c(F)c4[nH]3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGAAWXTGFRHCE-SANMLTNESA-N", "SMILES:C=CC(=O)N1CC[C@H](N2C(=O)N(c3ccccc3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNRTZGQKVGNJB-UHFFFAOYSA-N", "SMILES:COc1ccc(O)c(C(=O)c2cnc(/N=C(\\N)Nc3ccc(F)cc3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLIDKYITKFCGT-UHFFFAOYSA-N", "SMILES:CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZZUBMHMVXLHP-QGZVFWFLSA-N", "SMILES:Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2nc3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOOVLDCSQZODX-UHFFFAOYSA-N", "SMILES:CNc1nc(C)c(-c2nc(Nc3cccc(C(=O)NC4CCN(C)CC4)c3)ncc2C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNCXHXYZTLIZTO-HDMKZQKVSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNCXHXYZTLIZTO-DYNVDGSKSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1C(c1ccc(Br)cc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAMXKSTCNZPJJ-WCWDXBQESA-N", "SMILES:CC1(C)Cc2c(/N=N/c3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc(O)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNLYWKQIWYVJF-WCWDXBQESA-N", "SMILES:O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c3c2NCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBJRQPQNCNYSPX-WCWDXBQESA-N", "SMILES:O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKIAVKYDURMCC-WCWDXBQESA-N", "SMILES:O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL192046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJZFVOGTYOBPKD-GVARAGBVSA-N", "SMILES:C[C@@]12OC(=O)[C@]1([C@@H](O)C1CCCCC1)NC(=O)[C@@H]2CCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQXBYNPDPJTCPP-APYUEPQZSA-N", "SMILES:C[C@@]12OC(=O)[C@]1([C@@H](O)C1CCCCC1)NC(=O)[C@@H]2CCCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXKDLXYRCKYPY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDUCUMDEEMWGBA-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMIAEHBCQQOPZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBHSRLUQDYPBU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMSGDBNSJPKGJI-PKNBQFBNSA-N", "SMILES:CCn1c(=O)c2c(nc(/C=C/c3ccc(C(=O)OC)c(OC)c3)n2C)n(CC)c1=O"]}
{"name": "Adenosine receptor A2a", "xref": ["CHEMBL.TARGET:CHEMBL2115"], "id": "UniProtKB:Q60613", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECQGWBRESDPSJ-PKNBQFBNSA-N", "SMILES:CCn1c(=O)c2c(nc(/C=C/c3ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC)c(OC)c3)n2C)n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGIOOSDXZCNZQT-UHFFFAOYSA-N", "SMILES:COc1cc2[se]n(CCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQZYUUHIWPDQC-UHFFFAOYSA-M", "SMILES:CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGGMLEXNGZXVNZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXZDUYZCZMSQY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPYGLGHBVBTJV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZYYJSHJNYWAU-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CC2CCCCC2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNYOOQONBFFLRH-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCKCIARDSIELI-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBIYVBDPTVOIOY-XTCLZLMSSA-N", "SMILES:COc1ccc(/C=C2\\COc3cc(OCCCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZRTYTTZHHRCLU-KRWDZBQOSA-N", "SMILES:O=C(NCCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCCWSWQAFETLG-KRWDZBQOSA-N", "SMILES:O=C(NCCN1CCCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDBZVDOUJFIND-SFHVURJKSA-N", "SMILES:CCN(CC)CCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMQVRRBXYZICIR-INIZCTEOSA-N", "SMILES:CN(C)CCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1360562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVWJIKJZLUZKNA-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEUKMLEXDGSBY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3094153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKVJFXHBGZSZIR-UHFFFAOYSA-M", "SMILES:CC(C)CCCC(C)CCOc1ccc(COc2cccc(O)c2C(=O)[O-])cc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3094150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZLFLBKWHMYSIA-UHFFFAOYSA-M", "SMILES:CCCCCOc1ccc(COc2cccc(O)c2C(=O)[O-])cc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJBOYRMLZVRMDE-UHFFFAOYSA-N", "SMILES:CCCCCc1cccc(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33778", "category": ["biolink:ChemicalEntity"], "name": "ANACARDIC ACID", "xref": ["InChIKey:ADFWQBGTDJIESE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3093500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSQCZIWFSYCBV-NVFOBFQNSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCOP(=O)(N(CCCl)CCCl)N1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXARKWMOGDBCHV-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOMGRIHAMWDPF-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1=NN(c2ccc(Br)cc2)C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHLVCMASGCLQP-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)c(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDGFXFLCBGAAK-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVGIRNUHREYLP-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc3ccccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBIAHCOSZHCKPL-LQKXBSAESA-N", "SMILES:O=C([C@@H]1C[C@H]1c1ccccc1)N1C[C@@H]2CNC[C@@H](C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYSSKFCQHXOBP-MXVIHJGJSA-N", "SMILES:CCCCNc1ncc(-c2ccc(CN3CCOCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLRVGHXYUCPIPQ-REZTVBANSA-N", "SMILES:C/C(=N\\O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOEOTKPIKIUVAL-OVCLIPMQSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGTGABZYPQAYEG-CXUHLZMHSA-N", "SMILES:COc1ccc(-c2ccc(/C=N/O)c(O)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMXJVMZHYLVNJK-LZYBPNLTSA-N", "SMILES:N#Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBFECUIDZXHBY-OMCISZLKSA-N", "SMILES:O/N=C/c1c(O)ccc(-c2ccc(O)c(F)c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGRZJPRETQPCLH-VIZOYTHASA-N", "SMILES:O/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFUGTTJDFJMSGN-RGVLZGJSSA-N", "SMILES:O/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INQGQXOIWVULMW-RIYZIHGNSA-N", "SMILES:O/N=C/c1cc(-c2ccc(O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDSSMGFPICRDHW-VIZOYTHASA-N", "SMILES:O/N=C/c1cc(-c2ccc(O)c(F)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3094064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPQJKANBKHDPM-UHFFFAOYSA-N", "SMILES:C1NCC2CNCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3094084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSVNZEIMFZVJTR-DRURGDACSA-N", "SMILES:O=C(O)/C=C/C(=O)O.O=C(c1ccc(-c2ccccc2)cc1)N1C[C@@H]2CNC[C@@H](C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3094072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAJFYLNHJNFTM-KJSAPPNASA-N", "SMILES:O=C(CC1CCCC1)N1C[C@@H]2CNC[C@@H](C2)C1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3094071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDHBLGMTKTXYHR-BBDFNTHUSA-N", "SMILES:O=C(C1CCCC1)N1C[C@@H]2CNC[C@@H](C2)C1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3094069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZYVFVKJYBPJP-YKXMGIQSSA-N", "SMILES:CCCC(=O)N1C[C@@H]2CNC[C@@H](C2)C1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3094068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKFYQFSBOONTD-QKEBOOPDSA-N", "SMILES:CCC(=O)N1C[C@@H]2CNC[C@@H](C2)C1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3094067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDBFJKYVVLJGLK-QKEBOOPDSA-N", "SMILES:CC(=O)N1C[C@@H]2CNC[C@@H](C2)C1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHLKOHSAWQPOFO-UHFFFAOYSA-N", "SMILES:c1ccc(-c2c[nH]cn2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL456807", "category": ["biolink:ChemicalEntity"], "name": "PHENYLHYDRAZINE", "xref": ["InChIKey:HKOOXMFOFWEVGF-UHFFFAOYSA-N", "SMILES:NNc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL111654", "category": ["biolink:ChemicalEntity"], "name": "2-MERCAPTOBENZOTHIAZOLE", "xref": ["InChIKey:YXIWHUQXZSMYRE-UHFFFAOYSA-N", "SMILES:Sc1nc2ccccc2s1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1933308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSUYJCLUODSLN-UHFFFAOYSA-N", "SMILES:NNc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQNULDWOIXHYFM-SILNSSARSA-N", "SMILES:NCCOCCOCCOc1ccc(NC2=N/C(=C\\c3ccccc3)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYBDKHFLSHGBP-QNGOZBTKSA-N", "SMILES:NCCOCCOCCOCCOc1ccc(NC2=N/C(=C\\c3ccc4c(c3)OCO4)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUJDIWVWSRLRQ-UYRXBGFRSA-N", "SMILES:NCCOCCOCCOc1ccc(NC2=N/C(=C\\c3ccc4c(c3)OCO4)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYRAOOTYQUJTIT-QGZVFWFLSA-N", "SMILES:O[C@H](CNC1CCCCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYRAOOTYQUJTIT-KRWDZBQOSA-N", "SMILES:O[C@@H](CNC1CCCCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL530733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYRAOOTYQUJTIT-UHFFFAOYSA-N", "SMILES:OC(CNC1CCCCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHTWCKDYARKJBV-APIYUPOTSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCN)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBCMXATLRCCLF-IRRLEISYSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](C[C@H](O)[C@]3(C)[C@@H]([C@H](C)C[C@H](C)C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYTVLUYHUULBSN-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)Nc1ccc(C(N)=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1594316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADMBJNEWPMECL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOUOQESVDURNSB-UHFFFAOYSA-N", "SMILES:c1cncc(-c2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1313977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMHKCGHCAYDCII-UHFFFAOYSA-N", "SMILES:O=C(NCCOc1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMNMYZXJIYFCFZ-UEJBEBQQSA-N", "SMILES:O/N=C1C(=C\\c2ccc(O)cc2)\\N2CCC\\1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJVYPPZKUJGINW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)cc(C(F)(F)F)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMKNIGFXBQZAKP-YQOHNZFASA-N", "SMILES:O=C(CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)NCC(=O)Nc1cccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULJAFUYBRGUCY-GTXBZULCSA-N", "SMILES:Cc1cc(C#CCCCCCCCC(=O)NCc2cn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c(=O)[nH]c2=O)cc(C)c1Oc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXJIAFBTLXRCMU-HXGGSSIYSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(F)c3)S/C2=N\\c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXABZPDIHSQNK-JLPGSUDCSA-N", "SMILES:COc1cc(/C=C2\\SC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)ccc1OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNXWKPADCLXKM-KQWNVCNZSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)S/C(=C\\c3cccc(OCCc4ccccc4)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODTNQVHMMAUENS-LHXREJDYSA-N", "SMILES:COc1cc(/C=C2\\S/C(=N\\c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)ccc1OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMRXSQAVMPTHY-LHXREJDYSA-N", "SMILES:COc1ccc(/C=C2\\S/C(=N\\c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZDLZOOOGGUZNB-XKZIYDEJSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)S/C(=C\\c3ccc(OCc4ccccc4)c(F)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLPVCJRSVXISG-FKKWPMSPSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCCc4ccccc4)cc3)S/C2=N\\c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEHYTLVEAKJZIG-UCQKPKSFSA-N", "SMILES:COc1cc(/C=C2\\SC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBDLCELOQLYTQF-UCQKPKSFSA-N", "SMILES:COc1ccc(/C=C2\\SC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQZGOXPSAHKXCR-JLPGSUDCSA-N", "SMILES:COc1ccc(/C=C2\\SC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFCCCDYCMMEETL-BKUYFWCQSA-N", "SMILES:O=C(/C(=C/c1ccccc1)n1cncn1)c1ccc(F)cc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMYVUVPUGUSHR-IKNIDKHFSA-N", "SMILES:CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]34OC(=O)O[C@H]3[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](OC(=O)N(C)C)C(=O)[C@]12C)C4(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZNFAAFLPHWPJ-LPJXRXTRSA-N", "SMILES:CO[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)N(C)C)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLZVBRVSNLUEI-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1N(Cc1cn(Cc2ccc(Cl)c(Cl)c2)nn1)Cc1cn(Cc2ccc(Cl)c(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTORYWFUNOGSLQ-DFMNHKQFSA-N", "SMILES:CN(C)Cc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(CN(C)C)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOZCBKYSAXNDG-SNAWJCMRSA-N", "SMILES:COc1cc(/C=C/C(=O)c2cc(Cl)c(O)cc2O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMFPLICYTUAOQ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2nn(CCCN3CCOCC3)c3ncccc23)=C1c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTRLDFLNMQXLS-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C2=C(c3nn(CCCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDYUCALGCSDPCI-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3nn(CCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWHOJFTCGCLER-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3nn(CCn4ccnc4)c4ncccc34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGAMBDJPMPWUCD-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3nn(CCCO)c4ncccc34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQOPLFRRDTXROR-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3nn(CCCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPZVMPIHHOVIEC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cc3cc(N)cc(OC)c3s2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBTNVOYZSMLSOC-QBOGKVSWSA-N", "SMILES:COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@@H](C)NC[C@H](O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUFLPDYFVBCRHT-VSTLQYSKSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCn1cc(CSCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)nn1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1699836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVHOMZSENWUED-UHFFFAOYSA-N", "SMILES:O=C1C(CO)=C(CO)C(=O)c2c(O)ccc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1987813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSZUVQJEAVKRW-ATMGAIRJSA-N", "SMILES:O=C1C2=C(C(=O)c3c(O)ccc(O)c31)[C@@H](O)[C@@H](O)[C@@H](O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNIKWZOSEWZOCF-SWGQDTFXSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1COc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVSKZMGQOOLCH-GIJQJNRQSA-N", "SMILES:COc1ccc(/C=C2/SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1462676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFPVWUSCCHHBF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYAUKEHRHLIRRY-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]c(SCc3nc4ccccc4c(=O)n3-c3cccc(C(F)(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1400188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMKNCVXKTFUWKO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(CSc2[nH]cnc3ncnc2-3)n1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEDZIKKOLOYXIE-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(CSc2ccccn2)n1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOXWPRNLZHPORU-UYRXBGFRSA-N", "SMILES:COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGSQTPAQJZTOT-ATVHPVEESA-N", "SMILES:COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUUUYNAWKRRMGI-UVTDQMKNSA-N", "SMILES:CCOc1cccc(NC(=O)/C(C#N)=C\\c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMCZWVUSOYPMJA-ZROIWOOFSA-N", "SMILES:CCOc1cccc(NC(=O)/C(C#N)=C\\c2ccc(O)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHYQZHYZKZKRS-DHDCSXOGSA-N", "SMILES:CCOc1cccc(NC(=O)/C(C#N)=C\\c2ccc(OCC(=O)O)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZZLZNRHOVAVGN-LCYFTJDESA-N", "SMILES:COc1ccc(NC(=O)/C(C#N)=C\\c2ccc(O)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHZQEXLKFMJES-UVTDQMKNSA-N", "SMILES:CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNHUYIQFPQOLW-UVTDQMKNSA-N", "SMILES:CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVWUGVKEAPINO-LCYFTJDESA-N", "SMILES:CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFMIGYKAOSBQJF-WQLSENKSSA-N", "SMILES:COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O"], "chembl_natural_product": true}
{"name": "Kallikrein-14", "xref": ["CHEMBL.TARGET:CHEMBL2641"], "id": "UniProtKB:Q9P0G3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL159263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMEYRISTYAMHBD-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2ccc(OCCN3CCCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWCPZKNDHYTTP-UHFFFAOYSA-N", "SMILES:c1cc(OCCN2CCCCCC2)ccc1Cc1ccc(OCCN2CCCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVNPFNZJSHRZFA-UHFFFAOYSA-N", "SMILES:CCC(=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXYIQJXIIUZMR-GBVPUKILSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZORQQLRESXXQR-PEPJXIEUSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)Nc6cccc7ccccc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGWAQHJCKYGML-MKLSMKKYSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)Nc3cccc4ccccc34)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)Nc6cccc7ccccc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498230", "category": ["biolink:ChemicalEntity"], "name": "OLEANDEROLIDE", "xref": ["InChIKey:CXELEGXSGVFEND-NVTHVPAHSA-N", "SMILES:CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]14C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3099980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVMRCWNEYQEYIC-ROUUACIJSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYJYRMUQWPPTFT-UAPYVXQJSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](OCc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3100013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXRKHRWOKDMGKA-JCNLHEQBSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](Oc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3100012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWYOVAGDQLRPS-KOMQPUFPSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](Oc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3100002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTOVXSJLMFOHX-RZDIXWSQSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRVHWWSPQFJFDX-CZIWCDLHSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKNOLRVVVLIOHA-SAABIXHNSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMFGTYZPVZIIPJ-RHNCMZPLSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCHUFNSHIHZTP-KOMQPUFPSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3100019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUSHFOGEMXXCO-RZDIXWSQSA-N", "SMILES:O=C(Nc1cccc(F)c1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCMITHCVVSIPJQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccn3c(=O)c2-c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541700", "category": ["biolink:ChemicalEntity"], "name": "GALLINAMIDE A", "xref": ["InChIKey:ASRBKZHDORPEHO-KYJIWOQOSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1C(=O)C=C(OC)[C@@H]1C)N(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3103385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYRUGGUQGFZDF-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)N1c2ccccc2C=Cc2ccccc21)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKZQNKQVUGJIL-RXIQFUOKSA-N", "SMILES:CC[C@H](O[P@@](=O)(CCC(N)C(=O)O)Oc1ccccc1)C(=O)NCC(=O)O"]}
{"name": "Glutathione hydrolase 1 proenzyme", "xref": ["CHEMBL.TARGET:CHEMBL5696"], "id": "UniProtKB:P19440", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZXJHEPXISBUNX-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(=O)c2c(O)c(CC=C(C)C)c3c(c2O)CC(O)C(C)(C)O3)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL484662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRNDQLCMXUCGG-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL243677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPQYWKYYDYOCQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2cccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL301624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFGJHYLIHMCQD-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL457821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEXPKGWBRBLIIC-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(O)c2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL222556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRNPMQHYWVKBAV-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3103831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZWFCGNYPYQAP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFKMEKLTKIFGX-FXBPSFAMSA-N", "SMILES:O=C(O)CCCCCN1C(=O)/C(=C/c2c(N3CCCc4ccccc43)nc3ccccn3c2=O)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3102868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIFMLLAMXWOEP-MZJWZYIUSA-N", "SMILES:Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJIMGTNBQRVAOF-UHFFFAOYSA-N", "SMILES:Cc1cc(CCNC2=CC(=O)c3cccnc3C2=O)cc(C)c1O"]}
{"name": "Ezrin", "xref": ["CHEMBL.TARGET:CHEMBL3102687"], "id": "UniProtKB:P26040", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMIABBBTRIAFJE-UHFFFAOYSA-N", "SMILES:O=C1C=C(NCCc2cc(Cl)c(O)c(Cl)c2)C(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXZCSGDPXZSPCP-IWGRKNQJSA-N", "SMILES:C(=C/c1ccccc1)\\C[N+]1(C/C=C/c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXBAKXRLQAPKEE-QHCPKHFHSA-N", "SMILES:O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZUXUNNEAXGJO-UHFFFAOYSA-N", "SMILES:C=C1c2c(C)nn(-c3ccc(OC)cc3)c2N(C)C23CC1C1(C)c4c(C)nn(-c5ccc(OC)cc5)c4N(C)C(C)(CC12)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDVYPZBOKXMAR-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(CC(=O)c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3102955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTAMMDFIMBFDQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cnc3[nH]cc(-c4ccc(O)c(O)c4)c3c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGWJKGHJBSCEQ-UNOMPAQXSA-N", "SMILES:CCOc1cc(/C=C2\\OC(=O)C(Br)=C2Br)ccc1OCCc1ccc(CC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKOSYLLHVHNTSB-WQRHYEAKSA-N", "SMILES:CCc1ccc(CCOc2ccc(/C=C3\\OC(=O)C(Br)=C3Br)cc2OC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFEQISNXSGEDJZ-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARLPBXTDWJLAV-MDWZMJQESA-N", "SMILES:O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)CCNC3=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKCCKQSDNGREY-RIYZIHGNSA-N", "SMILES:CC1c2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHNWNJXVYAMBI-ODIAZMNBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSLIUMAJABNOK-CMWQAZFASA-N", "SMILES:O=C(/C=C(O)/C=C/c1ccccc1O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZOKPLKSQDMEIZ-AAQLWUGVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](OCc2ccccc2)c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJRQLJOIUWHBZ-CIUDSAMLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)C[C@H](N)CN)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3104962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGCECAJFLDXBC-UHFFFAOYSA-N", "SMILES:C=CCC(CC=C)(CC=C)c1ccc(CCCCCCCCC)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3104961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOZUAPXTWNERM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGJWFIOKCCVGQF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389471", "category": ["biolink:ChemicalEntity"], "name": "COUMERMYCIN A1", "xref": ["InChIKey:WTIJXIZOODAMJT-IYKSDEDASA-N", "SMILES:CO[C@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@H]7OC(C)(C)[C@@H](OC)[C@H](OC(=O)c8ccc(C)[nH]8)[C@@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3104645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMZHOXVUVYALKN-HNNXBMFYSA-N", "SMILES:Nc1nc2[nH]cc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDGSABSMCCLLDX-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(OS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc2c2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBNVFBHIKMWLBG-UHFFFAOYSA-N", "SMILES:O=C(CC(CCO)c1ccc(Cl)cc1Cl)NOC(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNHTGDDWZPZOB-XGQOXGNBSA-N", "SMILES:COC(=O)C(CO)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNKORAVWOMXTR-MZFQWVNZSA-N", "SMILES:COC(=O)C(NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTTQIMNAQVGBSE-SJMSRPJRSA-N", "SMILES:COC(=O)C(C)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRQJICXYQPEQJ-YKEYHJQHSA-N", "SMILES:CCNC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIDNZWCWEXJSCA-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2ccc(-c3noc(CC)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUQUFVYKJOHBO-SYUMXFIHSA-N", "SMILES:CSCCCNC1=CC(=O)C(O)=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]23)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3109400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMDGCQCDKFMKAD-WORHRAFRSA-N", "SMILES:CC1=CCC[C@H]2[C@](C)(CC3=C(O)C(=O)C=C(NCCc4c[nH]c5ccccc45)C3=O)[C@@H](C)CC[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3109399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRZRJHAYWIOCML-DAORKYKSSA-N", "SMILES:CC1=CCC[C@H]2[C@](C)(CC3=C(O)C(=O)C=C(NCCc4ccccc4)C3=O)[C@@H](C)CC[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3109398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYIMIFWRIPFRV-BJYPFNDOSA-N", "SMILES:CC1=CCC[C@H]2[C@](C)(CC3=C(O)C(=O)C=C(NCCc4ccc(O)cc4)C3=O)[C@@H](C)CC[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3109403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMYTHPQNRLUNZ-UCIAGXJNSA-N", "SMILES:CC1=CCC[C@H]2[C@](C)(Cc3c4oc(C)nc4cc4nc(C)oc34)[C@@H](C)CC[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL182120", "category": ["biolink:ChemicalEntity"], "name": "VOACANGINE", "xref": ["InChIKey:MMAYTCMMKJYIAM-RUGRQLENSA-N", "SMILES:CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13"], "chembl_natural_product": true}
{"name": "Transient receptor potential cation channel subfamily M member 8", "xref": ["CHEMBL.TARGET:CHEMBL3108632"], "id": "UniProtKB:Q8R4D5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKOBDWTGMVEHK-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)cc2Cl)c2c1c1c(c3cccn32)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPDYPPFZVJRWLC-BTOTZMDQSA-N", "SMILES:Nc1ncnc2c1nc(-c1ccccc1)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]}
{"name": "Transient receptor potential cation channel subfamily M member 2", "xref": ["CHEMBL.TARGET:CHEMBL1250402"], "id": "UniProtKB:O94759", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDAKJMFIHMDGRC-PRSHHIRJSA-N", "SMILES:Nc1ncnc2c1nc(-c1ccccc1)n2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUMYXUITSNRXCL-VGKBRBPRSA-N", "SMILES:Nc1ncnc2c1nc(-c1ccccc1)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2CCCC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYPQSNAWPZXRV-UHFFFAOYSA-N", "SMILES:Cc1ncc(C(N)=S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1568712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEBCZGJWXXPNHB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUQITWXBMZUGY-UHFFFAOYSA-N", "SMILES:Oc1cc(O)nc(S)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIURPUMROGYCLW-UHFFFAOYSA-N", "SMILES:NC(=S)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHTZAIHGFNPTK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3110246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOHYIZCWGLXIRK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL528463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIQQJIMVVUTQN-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXUQWUJJYQPEJH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1scc2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAEYGPOLCURQPN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBIMVSWUWZIHN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1OC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYCFXUASOHQCY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2cn(CCCCCn3cccc(O)c3=S)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYRBBLSWPCHZTE-UHFFFAOYSA-N", "SMILES:Oc1cccn(CCCCCn2cc(-c3ccccc3)nn2)c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHWWSGSGGSXQU-GMOZQFTRSA-N", "SMILES:CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(F)(F)c1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N(c2ccccc2)c2ccc(I)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWVBKVBMDAMNEF-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCN(C)Cc3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHTACBKBUMVFAW-UHFFFAOYSA-N", "SMILES:CN(CCc1c[nH]c2ccccc12)Cc1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPQGVOYZJETIT-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCc2c[nH]c3ccccc23)nn1)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLACDMNKSODHOZ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCN(C)C(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCZFIOETPHZFX-UHFFFAOYSA-N", "SMILES:CN(CCc1cn(C)c2ccccc12)C(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBLAVNHAQKCJD-UHFFFAOYSA-N", "SMILES:CN(CCc1c[nH]c2ccccc12)C(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUTDVNWSRCEZBF-UHFFFAOYSA-N", "SMILES:Cn1cc(CCNC(=O)c2cc(=O)c3c(OCc4ccc(Br)cc4)cccc3o2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDVAZDPJSYGNKQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPQAJICYCJLLD-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4cc(OCc5ccc(Br)cc5)ccc4o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJPQFLNNKYEZHC-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYLLWNISFWIYSH-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc(C(=O)Nc2cccc(-c3ccc(OC4CCN(C)CC4)cc3)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKROSRYNPGAQGH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(CC3CCOCC3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQMFTWVKXBCBC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(CC3CCCCC3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYYZEGXJPYRRZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(C3CCOCC3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSACLHXUZDWGE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(C3CCCCC3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APJDTDALQSVARU-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2cc(-c3nn4c(C)nnc4c4ccccc34)ccc2N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHPSSUMJYGAMNR-UHFFFAOYSA-N", "SMILES:Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(=O)(=O)c4ccc(Cl)cc4)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLUMGCPGWDQOSB-UHFFFAOYSA-N", "SMILES:Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(=O)(=O)c4ccccc4Cl)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYFFGZYMLKZBPZ-UHFFFAOYSA-N", "SMILES:Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(C)(=O)=O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTQFFZNUZBJND-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Nc2ccc(C(F)(F)F)cc2)c2c(C)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMCRYCCYXHPQF-ZVMUOSSASA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKCDJTRMYWSXMC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIANMXQTGQXBRN-ODIZVHPFSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1NC(=O)CCCCCCCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBAFWCPACTWOJZ-DEIQMJFBSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)cc2)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOENMCRDCKGFEU-KIGZWKAQSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCCCC2)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLIARXTRTYIKD-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(C(=O)O)c1)NCCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFSUVBZUMLHTCC-FIFLTTCUSA-N", "SMILES:O=C(O)/C=C/c1cccc(N2CCN(c3cccc(/C=C/C(=O)O)n3)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFSILMVQQMGRP-OPRSCSRJSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(CCBr)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O"]}
{"name": "17-beta-hydroxysteroid dehydrogenase type 1", "xref": ["CHEMBL.TARGET:CHEMBL3181"], "id": "UniProtKB:P14061", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWGYKKQUKQZOMH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)c3ncccc3n2)cc1)Nc1cccc(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZMPNZJUXKRFO-UHFFFAOYSA-N", "SMILES:CN(C)CCS(=O)(=O)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPYTQCAMGXQKM-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1302224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDTDCOKFSIHHNT-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCCN2CCOCC2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3109824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIOZVBDKNAEASH-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCCN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXRAZBYTDPGTHG-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOEKXRHUWSWGTR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1621533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDUVFDBGRUPGC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)NCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGYVELDSNNACR-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPNYVZRLXYJCAS-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNS(=O)(=O)CCN(C)CCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJJTXBDYNKHMQT-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCN1CCCC1)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFCUNIPSBHLKIP-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCN1CCOCC1)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMONAKJJLIUMK-UHFFFAOYSA-N", "SMILES:CN(C)CCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZNQRADBGVWGOM-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1ccc2ccccc2c1)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCJFPAHNSHXPO-UHFFFAOYSA-M", "SMILES:Cc1ccc(CS(=O)(=O)CC[N+](C)(C)C)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPNVMOOYZXJNB-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCN1CCCC1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXACYKKUIUIDFB-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)CCS(=O)(=O)NCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUDWXMWJLVAIT-UHFFFAOYSA-N", "SMILES:CN(C)CCS(=O)(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1872778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXRUGXJSNEJRC-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCN1CCSCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCRUGJCLWZUHNR-UHFFFAOYSA-M", "SMILES:C[N+](C)(C)CCCS(=O)(=O)Cc1ccc(Br)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCJZAQVVFNIOP-UHFFFAOYSA-N", "SMILES:CN(C)CCCS(=O)(=O)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEIKHQNSFDBJQB-UHFFFAOYSA-M", "SMILES:C[N+]1(CCS(=O)(=O)Cc2ccc(Br)cc2)CCCC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUBJSWJWKABTAM-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCN1CCOCC1)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOMSXCNYOVEMT-UHFFFAOYSA-N", "SMILES:Cc1ccc(CS(=O)(=O)CCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXHJOUOCRZNDSD-UHFFFAOYSA-N", "SMILES:Cc1ccc(CS(=O)(=O)CCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXKRVMNZHGRCY-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)CCS(=O)(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNFGXRXXXGPEAM-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)CCS(=O)(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWVJOKIPHIPPP-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCN1CCOCC1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGJYHVNEWONSEA-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCN1CCCC1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTTVWDFVLIYSH-UHFFFAOYSA-N", "SMILES:CN(C)CCS(=O)(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQNHVSVWITMOG-UHFFFAOYSA-N", "SMILES:CN(C)CCS(=O)(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCJZDBGEQEWDW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CS(=O)(=O)NCCN(C)C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPQBOPDYFKAMD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CS(=O)(=O)NCCN3CCCC3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTSAOCMZGTELT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CS(=O)(=O)NCCN3CCOCC3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKYQLATMAOEDH-UHFFFAOYSA-M", "SMILES:Cc1ccc(CS(=O)(=O)CC[N+]2(C)CCCC2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZBNEYLHLVLOQM-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCN1CCCC1)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAGMBCIGXLWUPA-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CCOP(=O)(O)Cc1ccc(Br)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCBEIPGXKNHFW-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(O)cc2)cc1"], "chembl_natural_product": true}
{"name": "GTP-binding protein Rheb", "xref": ["CHEMBL.TARGET:CHEMBL3108656"], "id": "UniProtKB:Q15382", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPYGNNOSJWBHF-UHFFFAOYSA-N", "SMILES:CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPSUYVALAOXFGL-UHFFFAOYSA-N", "SMILES:CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXLQNCLPTUVOQV-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510650", "category": ["biolink:ChemicalEntity"], "name": "ECHINOMYCIN", "xref": ["InChIKey:AUJXLBOHYWTPFV-VLNMHYLBSA-N", "SMILES:CS[C@H]1SC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c3cnc4ccccc4n3)C(=O)N[C@@H](C)C(=O)N(C)[C@@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c1cnc3ccccc3n1)C(=O)N[C@@H](C)C(=O)N2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL487913", "category": ["biolink:ChemicalEntity"], "name": "THIOCORALINE", "xref": ["InChIKey:YYZDXRSDPWMBGF-XEQGPDGQSA-N", "SMILES:CSC[C@H]1C(=O)SC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)NCC(=O)N(C)[C@H]2SSC[C@@H](C(=O)N1C)N(C)C(=O)CNC(=O)[C@H](NC(=O)c1nc3ccccc3cc1O)CSC(=O)[C@H](CSC)N(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWRYHBNVYOIZJC-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNVDFDZFZWBPB-UHFFFAOYSA-N", "SMILES:Cc1cc(CC(=O)NC(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGPGIRXRWYDQE-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIVURCIUAPRKEQ-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCJTEQSRQOJTH-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAZYBLFYZNUKHD-RQJHMYQMSA-N", "SMILES:CNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFCLIEBJTGJKSV-AEFFLSMTSA-N", "SMILES:Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3cnco3)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFYMYQFVDBQAU-MJGOQNOKSA-N", "SMILES:Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKIBNEDMQYMQFM-SCZZXKLOSA-N", "SMILES:CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1cc(C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFYARNZFJDIZMC-CABCVRRESA-N", "SMILES:CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCKHEUZJVZXJO-CVEARBPZSA-N", "SMILES:CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1395445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWDPXUFXISPNN-AYFLJRIOSA-N", "SMILES:CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPEFEJMVODYABI-ZWZHXNIBSA-N", "SMILES:CCOC(=O)[C@@H]1[C@H]2COc3ccc(F)cc3[C@@H]2N[C@]1(C)C(=O)Nc1cc(C)ccc1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGFVAIOZLOXGG-KAAUDJBISA-N", "SMILES:CCOC(=O)[C@@H]1[C@H]2COc3c(F)cccc3[C@@H]2N[C@]1(C)C(=O)Nc1cc(C)ccc1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSFRJNHFWCCIU-ZWZHXNIBSA-N", "SMILES:CCOC(=O)[C@@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N[C@]1(C)C(=O)Nc1cc(C)ccc1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTSMGLJLRDABJZ-VOFKYMGDSA-N", "SMILES:CCOC(=O)[C@@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N[C@]1(C)C(=O)Nc1cc(C)ccc1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOEHWVSISATFED-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1"]}
{"name": "Intestinal-type alkaline phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL3151"], "id": "UniProtKB:P24822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYQYSMZPAAVISB-SJORKVTESA-N", "SMILES:CC(C)c1noc(C2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMGWGSFWSEDHS-USGNIVHTSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2C[C@@H]3[C@H](C2)[C@@]3(CNC(=O)c2c(Cl)cccc2Cl)CC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJKWWLUFAFWNSF-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2CCC(C(NC(=O)c3ccc(Cl)cc3Cl)c3cccs3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCHGHPZTUAGWLL-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2CC(C(NC(=O)c3ccc(Cl)cc3Cl)c3cccs3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLSHFCFBZLGQQ-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2CCC(C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJMFVYBPCMTBBD-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2CC(C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOMCIFYTYHPRL-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2CCC(C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCMGCUISKPXIGY-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2CC(C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWYFLQOFYFQAOU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CCC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPDEJOQYNUKLM-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZDIBUMTJVUGG-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2CC3CCC(NC(=O)c4ccccc4C(F)(F)F)C3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCOZFSPWGQKTKM-UHFFFAOYSA-M", "SMILES:CCCC[Se]1(Br)c2ccccc2C[O+]1C.[Br-]"]}
{"name": "Proteasome subunit beta type-2", "xref": ["CHEMBL.TARGET:CHEMBL3112378"], "id": "UniProtKB:Q9R1P3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKHVTZZXSCCPW-UHFFFAOYSA-M", "SMILES:CCCC[Se]1(Cl)c2ccccc2C[O+]1C.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYRYNOGFQDOUCA-YRNVUSSQSA-N", "SMILES:COc1ccc(-c2ccc3nc4cncc(/C=C/c5ccccc5)n4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKRJIRBEQKQKS-BQYQJAHWSA-N", "SMILES:COc1ccc(-c2cncc3nc4ccc(/C=C/c5ccccc5)cc4n23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOMFDVKNDSZEQA-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INOMZYFNGDZFSD-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)c(OCc1cccc3ccccc13)nn2CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSMKAMHMWHCFH-UHFFFAOYSA-N", "SMILES:c1ccc2cc(COc3nn(CCN4CCCCC4)c4ccccc34)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBZXUXHZDJSBQ-UHFFFAOYSA-N", "SMILES:c1ccc2c(COc3nn(CCN4CCCCC4)c4ccccc34)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGYXRHSZAOFEZ-UHFFFAOYSA-N", "SMILES:c1ccc2c(COc3nn(CCN4CCCC4)c4ccccc34)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPCGQGULMIQIPB-UHFFFAOYSA-N", "SMILES:CC(C)N(CCn1nc(OCc2cccc3ccccc23)c2ccccc21)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3112760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSTDSVBUSNSQDW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1Cl)N1CC2(CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCEXWTOTHXCQCQ-UHFFFAOYSA-N", "SMILES:CCOC1c2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c2N1C)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1530518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTAYAFBXACDGP-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2cc(-c3nnc(O)c4ccccc34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URTRMMHOVZQXRF-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUWSKNIMVXHZBS-HNNXBMFYSA-N", "SMILES:O=C(CCCCCCCO)N[C@H](CO)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWWILINMSLVTOX-AWEZNQCLSA-N", "SMILES:O=C(O)CCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFZIPXYSULBTDE-HDICACEKSA-N", "SMILES:O=C(CCC(=O)N[C@@H](CO)Cc1ccc(O)cc1)N[C@H](CO)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXNYFJFMMCSFQ-AWEZNQCLSA-N", "SMILES:O=C(N[C@H](CO)Cc1ccc(O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIUFKWHJUHBQAL-JTQLQIEISA-N", "SMILES:CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOMYKVADZLSHY-LBPRGKRZSA-N", "SMILES:CCC(=O)N[C@H](COC)Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLKQAJOSDTRAV-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2OCN1CCOCc1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYPBWVNEZHQEB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc2cc(C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPCGRBFBVRTQQH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUHBMSLHBYAAI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYURPGSMXKVMMP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc2cc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11417", "category": ["biolink:ChemicalEntity"], "name": "STREPTONIGRIN", "xref": ["InChIKey:PVYJZLYGTZKPJE-UHFFFAOYSA-N", "SMILES:COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O"], "synonym": ["Rufocromomycin", "Rufocromomycin", "Rufocromomycin", "Rufocromomycine", "Rufocromomicina", "Streptonigrin", "NSC-45383", "NSC-83950", "Nigrin", "Streptonigrin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL58150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEQQPWTMBVMLJ-UHFFFAOYSA-N", "SMILES:NC1=CC(=O)c2ccc(-c3cccc(C(=O)O)n3)nc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMNKCUSQIKSGP-UHFFFAOYSA-N", "SMILES:NC1=CC(=O)c2ccc(-c3ccccn3)nc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMGXQFVTMXITA-UHFFFAOYSA-N", "SMILES:O=C1C=C2CCC(Br)=C2O1"]}
{"name": "HTH-type quorum-sensing regulator RhlR", "xref": ["CHEMBL.TARGET:CHEMBL3112386"], "id": "UniProtKB:P54292", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBIFKKMTVAYDE-DUXPYHPUSA-N", "SMILES:CC1=C(Br)/C(=C\\Br)OC1=O"]}
{"name": "Transcriptional activator protein LasR", "xref": ["CHEMBL.TARGET:CHEMBL1075207"], "id": "UniProtKB:P25084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRQUBSYEFQXMSH-UHFFFAOYSA-N", "SMILES:O=C1C=C2CCCCC(Br)=C2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHNFTIYTXTCEA-UHFFFAOYSA-N", "SMILES:O=C1C=C2CCCC(Br)=C2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPZGJLRCKGTPQX-NRFANRHFSA-N", "SMILES:COc1cccc(CN(C(=O)N[C@H](C=O)Cc2ccccc2)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZZPRNMSKSHQT-FQEVSTJZSA-N", "SMILES:O=C[C@H](Cc1ccccc1)NC(=O)N(Cc1cccc(O)c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMKVDUSMPKGAX-NRFANRHFSA-N", "SMILES:O=C[C@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3112595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCJDDIHNGFLMPX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113165", "category": ["biolink:ChemicalEntity"], "name": "VLX-1005", "xref": ["InChIKey:OWHBVKBNNRYMIN-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4s3)cc2)c1O"], "synonym": ["Vlx-1005", "ML-355", "ML355", "VLX-1005"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLGXMASDDMGST-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4o3)cc2)c1O"]}
{"name": "Polyunsaturated fatty acid lipoxygenase ALOX12", "xref": ["CHEMBL.TARGET:CHEMBL3225"], "id": "UniProtKB:P39655", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNXQWFNOQWGART-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRVVZUMYOPGENV-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4cccc(Cl)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDRSFROGJVAPP-LACLKVMISA-N", "SMILES:CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@H](OC(=O)c3ccccc3)C(C)(C)O[C@H]2CC[C@@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZNQPDUVUCXVBY-UHFFFAOYSA-N", "SMILES:CSc1nc2c3ncccc3ccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEVVIXJKXZIBM-UHFFFAOYSA-N", "SMILES:CSc1nc2c3ccccc3ccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVCGHWFUCDTCHZ-UHFFFAOYSA-N", "SMILES:CSc1nc2c(C)cc(Cc3ccccc3)cn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL144265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMOCSXAWAVOKMT-UHFFFAOYSA-N", "SMILES:CSc1nc2c(Br)cc(C)cn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZYXPWMNBAAMO-UHFFFAOYSA-N", "SMILES:CSc1nc2c(C)cc(Br)cn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEMCZFGFGQNIJ-UHFFFAOYSA-N", "SMILES:CSc1nc2c(Cc3ccccc3)cccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NROXRAXXPROKCT-UHFFFAOYSA-N", "SMILES:CSc1nc2c(C)cccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHPMAODCOKETGN-UHFFFAOYSA-N", "SMILES:CCCc1ccn2c(=N)c(S(=O)(=O)c3ccccc3)c(SC)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL141549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCANXVJTHCSDS-UHFFFAOYSA-N", "SMILES:CCc1ccn2c(=N)c(S(=O)(=O)c3ccccc3)c(SC)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMAZMOEUOQDIB-UHFFFAOYSA-N", "SMILES:CSc1nc2cc(C)ccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFPYIOCQSPXFEB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2nc(SC)c(S(=O)(=O)c3ccccc3)c(=N)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYVXOLZECZIPAZ-UHFFFAOYSA-N", "SMILES:CSc1nc2ccc(C(N)=O)cn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXMWQDGGFFKGFH-UHFFFAOYSA-N", "SMILES:CSc1nc2ccc(C)cn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBJKUBVKRKOQP-UHFFFAOYSA-N", "SMILES:CSc1nc2ccc(Br)cn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODZKPOTUZKQMH-UHFFFAOYSA-N", "SMILES:CSc1nc2ccc(Cl)cn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL356781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFYSBHUCXHNIP-UHFFFAOYSA-N", "SMILES:CSc1nc2ccc(F)cn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIRJKXWWWVOVDV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc3ccc(C)cn3c(=N)c2S(=O)(=O)c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPDTXMPJCSBDX-UHFFFAOYSA-N", "SMILES:N=c1c(S(=O)(=O)c2ccccc2)c(NCCO)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQKSYBVVAMIQGO-UHFFFAOYSA-N", "SMILES:CCNc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFQKCAQTQWLLR-UHFFFAOYSA-N", "SMILES:CNc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKUFRHHVCDHMD-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLXMLWWMOCFLX-UHFFFAOYSA-N", "SMILES:COc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKZUQQMPVIABM-UHFFFAOYSA-N", "SMILES:C[S+]([O-])c1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSFWZQBUTIOBRQ-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccn2c(=O)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJBVNHBVNXHVJN-VLGSPTGOSA-N", "SMILES:CSc1nc2ccccn2/c(=N\\C(C)=O)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GINMLVYMHLSXEQ-ICFOKQHNSA-N", "SMILES:C/N=c1/c(S(=O)(=O)c2ccccc2)c(SC)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABACOHMKABNQSM-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZNRHAWJRNRULQ-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUEZMSLOVAZPOA-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1cc(C)c(Cl)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRROMJMKFNTQW-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUCOHROUXWRQLI-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMWXMWDWBUWSJ-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBPRIPUBDRREIH-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL355905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHRPYOPXGWCTE-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDSPQHGHALVRAI-UHFFFAOYSA-N", "SMILES:CCCCCCc1c(C(=O)CC(C)CC(=O)O)c2cc(Cl)ccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVUMAXJGBETMO-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2ccc(Cl)cc2n1C(=O)CC(C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTSJSSHNIUCAGH-YZLQMOBTSA-N", "SMILES:N#C/C(=C/c1cccc(Br)n1)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C\\c2cccc(Br)n2)c1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 9X", "xref": ["CHEMBL.TARGET:CHEMBL2406899"], "id": "UniProtKB:Q93008", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIDOPKHSVQTSJY-VMEIHUARSA-N", "SMILES:CCC[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHWVKAQJUERRZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(NC(=O)CNC(=O)OCc1ccccc1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJIJOXPWWLCZLK-UHFFFAOYSA-N", "SMILES:CCCCCCn1cc(C(=O)CCCC(=O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBBHHYAOEVVQMA-UHFFFAOYSA-N", "SMILES:CCCCCCc1cccc2ccn(C(=O)CCCC(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHGIDCVRXHWJP-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc2ccn(C(=O)CCCC(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSJMFNQZQTUWBN-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc2c(ccn2C(=O)CCCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLEKSNMHELTLQY-UHFFFAOYSA-N", "SMILES:CCCCCCc1cn(C(=O)CCCC(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXCOLXOVSHCAG-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(C)c2s1"]}
{"name": "DNA gyrase subunit B", "xref": ["CHEMBL.TARGET:CHEMBL3085613"], "id": "UniProtKB:P0C559", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1772"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIHUOCVIOGTYGK-JOYPRMQLSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN(OC)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC"]}
{"name": "Endoglycoceramidase II", "xref": ["CHEMBL.TARGET:CHEMBL3112388"], "id": "UniProtKB:O33853", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1831"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVNNKWMXNNPTIF-UHFFFAOYSA-N", "SMILES:CC(C)=NNc1nc(-c2ccc(Cl)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBHFUMXOUHHRRX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(=O)n(Cc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3122113", "category": ["biolink:ChemicalEntity"], "name": "DNL-201", "xref": ["InChIKey:ZPPUMAMZIMPJGP-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C(F)(F)F"], "synonym": ["Dnl-201", "Dnl201", "GNE-0877"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3122123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXKXLWHPLWJRQG-DHHLODHWSA-N", "SMILES:CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3122129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSIAEQMANOYRHC-NPMQVKKYSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3122128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKKGNVIBVRHQE-UOAPYMMUSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3122127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNLMYUYELPYJK-MDDAJISYSA-N", "SMILES:C[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3122141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQIBRUWWSGZRH-ISBFUBLLSA-N", "SMILES:CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3122142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQIBRUWWSGZRH-AZOXCMDXSA-N", "SMILES:CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3122144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIDYYUJBKKSTQB-HXJVOWSFSA-N", "SMILES:C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3CC[C@H]([C@H](C)CCC=C(C)C)[C@@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3120603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNGUFGDDNNXDJ-CLLVMVKXSA-N", "SMILES:CC/C=C\\C=C1\\C(=O)C=C[C@@H]1CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3122167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBNHGKIAHMMUCH-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3122149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHJADLDLNMVKV-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)N(Cc1ccccc1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388529", "category": ["biolink:ChemicalEntity"], "name": "GUTTIFERONE K", "xref": ["InChIKey:QKKRBNPMUBNTPA-ZZEFGTIFSA-N", "SMILES:CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O"], "chembl_natural_product": true}
{"name": "Signal transducer and activator of transcription 1", "synonym": ["Signal transducer and activator of transcription"], "xref": ["CHEMBL.TARGET:CHEMBL5045"], "id": "UniProtKB:Q6P6Q7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3120621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBLTYZSPRMLOP-QHHXVQFASA-N", "SMILES:CC(C)=CCC/C(C)=C/C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3120631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLMHLVYKLURACD-CHRYWTOVSA-N", "SMILES:CC(C)=CCC[C@]1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGBLBVXSYGYVPN-DBWCOQHTSA-N", "SMILES:CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@@H]3[C@@H](O)[C@@]4(C)C5=CC[C@@H](c6ccoc6)[C@]5(C)CC[C@@H]4[C@]1(C)[C@@H]32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2270444", "category": ["biolink:ChemicalEntity"], "name": "DESACETYL SALANNIN", "xref": ["InChIKey:MJNRBOGIPLCVIM-LJEOTECVSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H]1C[C@@H](O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3120211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTJGBNMMUDHKSX-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)ON1C(=O)CCC1=O)NCCNC(=O)COC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)C1CCN(C2CCN(Cc3c(O)ccc4oc(-c5ccccc5)cc34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJCKPHTYGRPUNK-UHFFFAOYSA-N", "SMILES:O=Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3121792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNIGFONODZDSDA-UHFFFAOYSA-N", "SMILES:C#CCCCCOc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYXCYFQCSBSKS-UHFFFAOYSA-N", "SMILES:C#CCCCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFFQPROXASWICG-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3nc(N)c(-c4ccc(N5CCOCC5)cc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3120707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFJBEHYBLYYQX-UHFFFAOYSA-N", "SMILES:COc1cc(C2c3ccc(O)cc3Oc3nc4c(c(N)c32)CCCC4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3120853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQDLPJHEFJKVHT-MJRVOHGCSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccccc3)cc(O)c(-c3ccccc3)c2O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3120854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULMASYHIMBKYFX-MDYSUIJBSA-N", "SMILES:COc1c(-c2ccccc2)cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccccc2)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3120855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCRVYSRXMZRXDW-MDYSUIJBSA-N", "SMILES:COC(=O)[C@H]1O[C@@H](Oc2c(-c3ccccc3)cc(O)c(-c3ccccc3)c2O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3122154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWQXYJZWVBBNT-WLHGVMLRSA-N", "SMILES:COc1nsnc1OCCN(C)C.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3122155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBCLJVCIXZBUEF-UHFFFAOYSA-M", "SMILES:COc1nsnc1OCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JULRCIKIEZPCEQ-BRJLIKDPSA-N", "SMILES:C/C(=N\\OCC(=O)Nc1ccc(C(F)(F)F)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEWCWHXNMMVPC-WLHGVMLRSA-N", "SMILES:COc1ccccc1N1CCN(Cc2cn(-c3cccc4ccccc34)c3ccccc23)CC1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLLXALPWFZYGD-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(Cc2cn(-c3cccc(C)c3C)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NELULMBEPVQNFL-NHCYSSNCSA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1cc2c(cc1Br)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUPCYUWUZVDHKW-HGNGGELXSA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1cscn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJFKAQEUALKDH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)N(Cc1cc(Br)ccc1O)C(c1cc(Br)ccc1O)N2Cc1cc(Br)ccc1O"]}
{"name": "Presequence protease, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3124731"], "id": "UniProtKB:Q5JRX3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAYVDJDMYLGDEB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(-c3cc(Br)ccc3O)n(Cc3cc(Br)ccc3O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3124975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXPKLEMHXHHIDS-ROUUACIJSA-N", "SMILES:O=C1[C@@H]2SS[C@@H](C(=O)N2Cc2ccccc2)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBPZEKXNTHXZDK-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEMEBKNEHMBJS-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQIGTSYWJONWMK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4cc(C)nc(N)n4)cc3)cc2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGNBXUBKBUEDX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASCSVRAUWKNNCO-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCN(C)C)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPLLKAMIIZGJJ-LRYRXIKESA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3124956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QREHENXNZGKKFR-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCN(C)C)C5=O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3128304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJCUDZMNPAWPX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc(Sc3cccc(NC(=O)CN)c3)c(OCc3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBPPSKEUWGJOT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(O)c3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBVEQJVBUJBDW-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)ccc2Cl)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWBFUJQLOWGANX-UHFFFAOYSA-N", "SMILES:CCCCC1(c2ccccc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBPFGGKPINVKS-GDLZYMKVSA-N", "SMILES:C[C@]1(c2ccccc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKPNTYJZNMMQO-GDLZYMKVSA-N", "SMILES:C[C@]1(c2cc(F)cc(F)c2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BITOPQVAXZDVLV-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCc1nc2cc(C3=NOC4(C3)Cc3ccccc3C4)ccc2c(=O)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSQAMAGSKEBHU-GDLZYMKVSA-N", "SMILES:C[C@]1(c2ccc(F)cc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PISYFHHBEMNTSJ-GDLZYMKVSA-N", "SMILES:C[C@]1(c2ccc(Cl)cc2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKEDYULXVMFFDO-SSEXGKCCSA-N", "SMILES:C[C@]1(c2nc3ccccc3s2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUULDKCCMSTONL-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc([N+](=O)[O-])ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2027853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPVLGBPEJIFBEK-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(OC)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2027994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOKPULLOPRLOIJ-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2cc(OC)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPVXXMTUKGCRH-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXPMXPUFIRJFM-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCNCCO)c(=O)c2cc([N+](=O)[O-])ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJPKRXGAWJOGW-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCC(O)CC2)c(=O)c2cc([N+](=O)[O-])ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKPTTQWOYNOBL-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN(C)CCO)c(=O)c2cc([N+](=O)[O-])ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDJNRBQJLNVWPV-QKAVXHIFSA-N", "SMILES:COc1cccc2[nH]c3c([C@H]4[C@H](C(C)(C)O)CC[C@@]4(O)CO)nccc3c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3126957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJGELHJLSQCQK-PJUBBZNESA-N", "SMILES:COc1cccc2[nH]c3c([C@H]4[C@H](C(C)(C)O)CC[C@]4(C)O)nccc3c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3125667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDEPDOGWVAMEDD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)OCCn1cnc2c(Nc3ccc(F)cc3)nc(NCc3ccc(C4CCCCC4)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHTCPDAXWFLDIH-KQYNXXCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O"], "chembl_natural_product": true}
{"name": "L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase", "xref": ["CHEMBL.TARGET:CHEMBL3137295"], "id": "UniProtKB:Q9NRN7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL161867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUBTEITUNMMOK-FOCLMDBBSA-N", "SMILES:C/N=c1\\nc(-c2ccccc2)n(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWZUPEQPZWJDHL-ALERXTORSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWZUPEQPZWJDHL-DKDARUJGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXAMYZXRQXXJJA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDKRWZSGYLETRI-CDQVLDCRSA-N", "SMILES:Cl.NC/C(=C\\c1ccc(O)c(O)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHNMHYFOKDTCK-CCLKYDPYSA-N", "SMILES:NC/C(=C\\c1ccc(O)c(O)c1)C(=O)NC/C=C/c1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBBCRXOMGFXIW-CCLKYDPYSA-N", "SMILES:Cl.NC/C(=C\\c1ccc(O)c(O)c1)C(=O)OC/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RELYZENLCUKPCR-LNNJPWRLSA-N", "SMILES:C/C(=C\\c1ccc(O)c(O)c1)C(=O)OC/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMWBHLWSMKFSM-XVNBXDOJSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPAGSLHAPPEXHL-UXBLZVDNSA-N", "SMILES:CC(C)(C)OC(=O)/C(C#N)=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAHIHNWEZPLHGV-WEVVVXLNSA-N", "SMILES:CCOC(=O)/C(C#N)=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL37154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHGPCHQEFUWCE-XNTDXEJSSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBISGANYDGKLDE-WJISXQBPSA-N", "SMILES:CCC(/C=C/c1ccccc1)OC(=O)/C(C#N)=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVAJTBPMHKLNQX-VGOFMYFVSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)OCc1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWOZRIGASHDKIW-RIYZIHGNSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)OCC#Cc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPQOQOFSLVISNZ-LFIBNONCSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)OCC#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPCDIRNURBBELW-RIYZIHGNSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)OCC1OC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOKBEOFZRFVCV-RIYZIHGNSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)OCC(O)C(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSNFQUIWLOLKL-PDVUDHOGSA-N", "SMILES:CC(=O)Oc1ccc(/C=C(\\C#N)C(=O)OC/C=C/c2ccccc2)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLPEEUDQVQLHD-UYHGDYIZSA-N", "SMILES:N#C/C(=C\\c1ccc(Cl)c(Cl)c1)C(=O)OC/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3124947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGVGLZYSXZFSQW-KEAYEENMSA-N", "SMILES:Cc1ccc(/C=C(\\C#N)C(=O)OC/C=C/c2ccccc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFJOXZXDFRIGH-HLBNKZCXSA-N", "SMILES:N#C/C(=C\\c1ccccc1)C(=O)OC/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYVPNEIXZQBMBS-ODJPYMFVSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)CC/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAIVUXQZIZIFD-UYHGDYIZSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NC/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZAFUKFIGVSFP-UYHGDYIZSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)SC/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDUMJXCNOKHQKH-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc(C2CC(C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXKQCIXDYJFEN-FOCLMDBBSA-N", "SMILES:C[S+]([O-])/C=C/c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHAQNBXVIITQZ-FOCLMDBBSA-N", "SMILES:CS(=O)(=O)/C=C/c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGEWWNCTSMDCJL-WUKNDPDISA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQCWIYRBTJIXSH-XYOKQWHBSA-N", "SMILES:N#C/C=C/c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGYMGPWONZSQW-BMRADRMJSA-N", "SMILES:CCOC(=O)/C=C/c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSLPKHZPXIVRD-UHFFFAOYSA-N", "SMILES:COC(=N)Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHSRBKWWXIDHJ-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKARPFBBLYTOO-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCc1ccccc1)c1ncc(-c2ccc(CBr)cn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLYGLZYTDVTOA-UHFFFAOYSA-N", "SMILES:CSC(=O)CCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOERNGRSHACVQX-UHFFFAOYSA-N", "SMILES:CSC(=O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFDZWDOAEGRSCH-UHFFFAOYSA-N", "SMILES:CSC(=O)Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AROZGFMZNLECLQ-LDMFUBKXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CSCC(=O)NCCC[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTJIUSACIFUAG-KWSIVJDMSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CSC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQYECISRAPIDU-SOFRMSNISA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@H](C)O)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJPQOIFGYIXEO-ZXFHVBAJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46740", "category": ["biolink:ChemicalEntity"], "name": "BAZEDOXIFENE", "xref": ["InChIKey:UCJGJABZCDBEDK-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12"], "synonym": ["Bazedoxifene", "Bazedoxifene", "Bazedoxifeno", "Bazedoxifene", "Bazedoxifene", "Bazedoxifene component of ak r215", "Bazedoxifene component of ak-r215"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3125912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMJHFTLOTRXJGB-ISMNUEFDSA-N", "SMILES:C[C@@H]1OC2=C(C(=O)C3(O)C(C2)N2C(=O)[C@@]45SS[C@@]2(C(=O)N4[C@H]2Nc4ccccc4C2(O)[C@H]5O)[C@@H]3O)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3125911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNAHDZRIHBAXIG-ISMNUEFDSA-N", "SMILES:C[C@@H]1OC2=C(C(=O)C3(O)C(C2)N2C(=O)[C@@]45SSS[C@@]2(C(=O)N4[C@H]2Nc4ccccc4C2(O)[C@H]5O)[C@@H]3O)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3127700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXSSZKDKLMIKA-UHFFFAOYSA-N", "SMILES:O=C(C1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHIVCWTYRMHMGG-HLMLHLEXSA-N", "SMILES:C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(C)(=O)=O)C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQMSOFCQLTJGV-ZJTSJXPUSA-N", "SMILES:CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAWZOPMRGPVZTA-UHFFFAOYSA-N", "SMILES:O=c1[nH]ccc2nc(-c3cccc(C(F)(F)F)c3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEHYWWBLKZCPPG-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUOLBKBRPQDGMB-IMAQQZIHSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUOLBKBRPQDGMB-HDIOYNLWSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBYUVJUBBRBGK-RZQQEMMASA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2C[C@H](O)[C@@H](O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBYUVJUBBRBGK-JXXFODFXSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2C[C@@H](O)[C@@H](O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBYUVJUBBRBGK-YRNRMSPPSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2C[C@H](O)[C@H](O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBYUVJUBBRBGK-QINHECLXSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2C[C@@H](O)[C@H](O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGKRXHYNCAKGTQ-UPMOLNEASA-N", "SMILES:COc1cc2c3c(n(C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILUJYQXMZIWKE-JIQFQSSQSA-N", "SMILES:COc1cc2c3c(n(C[C@H](O)[C@@H](O)[C@H](O)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILUJYQXMZIWKE-GGOJBBCOSA-N", "SMILES:COc1cc2c3c(n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBGKRDHXIRRQL-SNVBAGLBSA-N", "SMILES:COc1cc2c3c(n(C[C@@H](O)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBGKRDHXIRRQL-JTQLQIEISA-N", "SMILES:COc1cc2c3c(n(C[C@H](O)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBGKRDHXIRRQL-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(n(CC(O)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMYZVVFCLMOFA-UKTHLTGXSA-N", "SMILES:CN(C)c1ccc(/C=C2\\COc3ccc(Br)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBPWRJZAJZCFG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)(C)Oc1ccc(N(CC=C(C)C)C(=O)Nc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAWOHYTYCPCTNK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)(C)Oc1ccc(N(Cc2ccco2)C(=O)Nc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMQGQAAYNBCPY-UHFFFAOYSA-N", "SMILES:CC(C)CCN(C(=O)Nc1nc2ccccc2s1)c1ccc(OC(C)(C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHJQPGYQHEBPP-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(N(Cc2cccc(F)c2)C(=O)Nc2nc3ccccc3s2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWTGEZQECZPQRO-UHFFFAOYSA-N", "SMILES:CCCN(C(=O)Nc1nc2ccc(C)cc2s1)c1ccc(OC(C)(C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDYSDOWSIXKPB-ZHACJKMWSA-N", "SMILES:COc1ccccc1S(=O)(=O)/C=C/c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUUNQQDLBJNSU-DEOSSOPVSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXERJWOAQHNSCT-MHZLTWQESA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2-c1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWMWTPGIZITPEV-NDEPHWFRSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2-c1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYTUWJGDFOOJBI-WOKNPCPGSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2-c1cnn(C2CCCCO2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOQKKGLLEPBIAP-CIFQRKFTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBJTTGFHCHQHS-VZTVMPNDSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)CCl)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODDQNZLKJSUEE-WZACZQKUSA-N", "SMILES:CC(=O)NN(CCCNC(=N)N)CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NN(CCCNC(=N)N)CC(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUWUGRCKTQSGJY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCCCN2CCC(C(N)(c3ccccc3)C3CCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBITUTDDFZQXDO-HHHXNRCGSA-N", "SMILES:N#Cc1ccc(OCCCN2CCC([C@@](O)(c3ccccc3)C3CCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1438422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUXZYKBZWQNXAX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC(O)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIDYWHLDTIVRJT-BNDIWNMDSA-N", "SMILES:CCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "Type 1 fimbrin D-mannose specific adhesin", "xref": ["CHEMBL.TARGET:CHEMBL4837"], "id": "UniProtKB:P08191", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCSKFSLGEVSWQS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)oc1cccc(CN(C(=O)CCO[N+](=O)[O-])C(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBXFXJVDXXQNMN-BPNTXOPJSA-N", "SMILES:C#CCOc1ccc(C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H]3N=C(C4CCCCC4)c4ccccc4NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKHGYZOIWHXDGL-TUYBRNEQSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H]1N=C(C2CCCCC2)c2ccccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBNUHCIYLMXQH-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(CCn3cncn3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZNPMUUOXMZCBF-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKGRXBQGCQJOHQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1cnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJGYTNIFKJHJQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFNAZLYGOOSEY-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1ccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3133892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEUCXBHQRMTXMJ-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(CCn3nnc4ccccc43)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBLLDKBLZYTKW-UHFFFAOYSA-N", "SMILES:C=CCN1Cc2c(nn(-c3ccc(Cl)cc3Cl)c2NC(=O)Nc2ccccc2)C(F)(F)C1c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGFLUJBDPFGLU-UHFFFAOYSA-N", "SMILES:C=CCN1Cc2c(nn(-c3ccc(Cl)cc3Cl)c2NC(=S)Nc2ccc(C(F)(F)F)cc2)C(F)(F)C1c1ccc(OC)cc1"]}
{"name": "Bifunctional dihydrofolate reductase-thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL2366489"], "id": "UniProtKB:Q27552", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5807"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOXAFWABBGFKKO-UHFFFAOYSA-N", "SMILES:CC(C)CN(C(=O)Nc1ccc(CCC(=O)O)cc1Cc1ccccc1)C(=O)c1ccc(OCC(=O)O)c(Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHMCYCQVFWKQM-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(C(=O)Nc2ccc(CCC(=O)O)cc2Cc2ccccc2)C(=O)c2ccc(CCC(=O)O)c(CC(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJFWWCABWHCLD-RFLHHMENSA-N", "SMILES:CN(C)c1ccc(-c2nnc(-c3cccc([125I])c3)o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZAAVLOQHLEMML-RFLHHMENSA-N", "SMILES:CN(C)c1ccc(-c2nnc(-c3ccc([125I])cc3)o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZJFOZAYJQCRHK-FTBISJDPSA-N", "SMILES:CCCCCCCCCCCCc1ccc(C(=O)N2CCC[C@H]2C(=N)N)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLOZPKSHJWRVBF-JUDYQFGCSA-M", "SMILES:CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[N+](C)(C)C.Cc1ccc(S(=O)(=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1453208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWUZIQQURGPMPG-QOQDJSECSA-N", "SMILES:CCCCCCCCCCCCC/C=C\\[C@@H](O)[C@@H](N)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3134153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHUAPWMQINMKQG-SRGWNRLKSA-N", "SMILES:CCCCCCCCCCCCCC[C@H]1OC[C@H](NC(=S)Nc2c(F)c(F)c(F)c(F)c2F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYOIYPIPJETAX-BJKOFHAPSA-N", "SMILES:CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=S)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCUONZWVUULHS-BJKOFHAPSA-N", "SMILES:CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=S)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVOTFNFVGGTTL-QREDHFMISA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=S)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPKNICGBPBZUFV-UHFFFAOYSA-N", "SMILES:COc1ncccc1CNC1CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1594810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTQMHYEPIBWOE-UHFFFAOYSA-N", "SMILES:CC(=O)c1csc(Nc2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQXYGEOCHXLMRH-UHFFFAOYSA-N", "SMILES:CC(=O)c1csc(Nc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRRZGUPRWBZCH-CCEZHUSRSA-N", "SMILES:CCN(CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYWTHVZVCCUJI-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDLYQOIEUKHWIS-UHFFFAOYSA-N", "SMILES:CCCCCCCc1ccc(CN(C(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZBQGDDNHJIOEV-UHFFFAOYSA-N", "SMILES:CCCCCCCc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTRCPCQGQASARU-UHFFFAOYSA-N", "SMILES:CCCCCCCc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDBOFZCBJGLYML-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZZYTIIVAZAPS-UHFFFAOYSA-N", "SMILES:CCCCCCCc1ccc(CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCCIXWNLJINPAY-UHFFFAOYSA-N", "SMILES:CCOC(=O)N(c1cc(-c2cc(N)c3nnc(C)n3n2)ccc1C)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDHRAJUTETVIDR-UHFFFAOYSA-N", "SMILES:CCOC(=O)N(c1cc(-c2cc(N)c3nnc(C)n3n2)ccc1C)S(=O)(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWFVPTYRQZQMH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(N)c3nnc(C)n3n2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDADYNYCPKASON-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(N)c3nnc(C)n3n2)cc1NS(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJFCATWTSKXNBR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(N)c3nnc(C)n3n2)cc1NS(=O)(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPQWAJPMHCHEBY-UHFFFAOYSA-N", "SMILES:Cc1nnc2c(N)cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBOMSQSNLUBOEM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZVDXSSHBCXPA-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nnc2ccc(-c3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXPZOSHFGJWSLQ-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTQPWRVCXVYFP-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3cc(=O)oc4cc(O)ccc34)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYGMONVJKFNGN-FHNLJXIHSA-N", "SMILES:C[C@](O)(CO)[C@H](O)COP(=O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O"]}
{"name": "2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL3217375"], "id": "UniProtKB:P62617", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPGLBHQUHFJRJS-RQOWECAXSA-N", "SMILES:O=C1C=C(Br)/C(=C/Br)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2151143", "category": ["biolink:ChemicalEntity"], "name": "ERUCIN", "xref": ["InChIKey:IHQDGXUYTSZGOG-UHFFFAOYSA-N", "SMILES:CSCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2312328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUVAKCPOVIEGNG-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCCN(CCn1cncn1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEUBZZYHXSGWAV-RYUDHWBXSA-N", "SMILES:O=C1N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBUWPVZSXDWSB-RYUDHWBXSA-N", "SMILES:O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL229264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJORAMIZFOODM-PWSUYJOCSA-N", "SMILES:Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL125236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVXVTLGIDOACBJ-SFHVURJKSA-N", "SMILES:CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHHYODNWSJABU-KMKOMSMNSA-N", "SMILES:O=C(O)/C(S)=C/c1c[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCOFTZPQEVXNLY-KMKOMSMNSA-N", "SMILES:O=C(O)/C(S)=C/c1c[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHAZQKLFQMXOX-KMKOMSMNSA-N", "SMILES:O=C(O)/C(S)=C/c1c[nH]c2cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MORGQZLXXVBLBF-UHFFFAOYSA-N", "SMILES:Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCBWMOKKDHIHIF-YVCMGZFQSA-N", "SMILES:O=C(CCCN[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUENBTRQOPYVCF-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)c1C"]}
{"name": "Acetylcholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL4780"], "id": "UniProtKB:P04058", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7787"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHJIEFSMRSKWMA-CQJMVLFOSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYISVGLBGHJVFT-GSDHBNRESA-N", "SMILES:CC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYISVGLBGHJVFT-NXCFDTQHSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKWRVHXZHYJSH-WUXMJOGZSA-N", "SMILES:C/C(=N\\NC(N)=[Se])c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMZVQTNWWHMJAH-UHFFFAOYSA-N", "SMILES:NC(=[Se])NN=C(c1cccc(Br)c1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGHZFBKBVIBIRK-WJDWOHSUSA-N", "SMILES:CCCC/C(=N/NC(N)=[Se])c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3222144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMHWRHCUIVASE-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)CCc1cc([N+](=O)[O-])ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597845", "category": ["biolink:ChemicalEntity"], "name": "SALERMIDE", "xref": ["InChIKey:HQSSEGBEYORUBY-WPWMEQJKSA-N", "SMILES:CC(C(=O)Nc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3222141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYAYHZZWYNXHEQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFYWZAOVBXVYRQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(N2C(=O)C(Cc3ccccc3)N(C)C(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOIRLZBJMOEMP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(N2C(=O)C(Cc3ccc(F)cc3)N(C)C(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCSOHSUDNFXNPU-YMRXKLBXSA-N", "SMILES:O=C(O)C[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3219366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPZWVZKICZJRA-JECHBYEQSA-N", "SMILES:O=C1C[C@H]2c3c(O)cc(O)cc3O[C@H](c3ccc(O)cc3)[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399491", "category": ["biolink:ChemicalEntity"], "name": "PYRROLIDINE DITHIOCARBAMATE", "xref": ["InChIKey:VSWDORGPIHIGNW-UHFFFAOYSA-N", "SMILES:S=C(S)N1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3221433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYGFTSQOACIJM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1ON(c2ccccc2)C(c2ccc(OCC)cc2)C12C(=O)Nc1ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYOJEXBRCGFCOU-PLNGDYQASA-N", "SMILES:C/C(Br)=C1\\C=CC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCLZWOSNMUIIO-VABKMULXSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLKWCCCQTZUFSF-ACRUOGEOSA-N", "SMILES:CC(=O)NCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCNC(C)=O)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3222263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQYKYWGTVYXJPE-OLMMQFJWSA-N", "SMILES:Nc1ccc(S(=O)(=O)O)cc1/N=N/c1ccc(C[C@H](NC(=O)C(F)(F)F)C(=O)O)cc1"]}
{"name": "Lysozyme C", "xref": ["CHEMBL.TARGET:CHEMBL1932892"], "id": "UniProtKB:P00698", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3222264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVSHLYVDJSCIQ-BZROSYFNSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(/N=N/c2cc(S(=O)(=O)O)ccc2N)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNPPHVLYVGMZMZ-XBXARRHUSA-N", "SMILES:COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLNZMTDBARFXJN-RXFWQSSRSA-N", "SMILES:CC(=O)N1c2ccc(-c3ccc(NC(=O)CCCCCCC(=O)NO)cc3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZHQPHGROTYTO-FDDCHVKYSA-N", "SMILES:CC(=O)N1c2ccc(-c3ccccc3)cc2[C@H](NC(=O)CCCCCCC(=O)NO)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXCIUCWFKRTXSJ-KSFYIVLOSA-N", "SMILES:CNCc1ccc(-c2ccc3c(c2)[C@H](NC(=O)OC(C)C)C[C@H](C)N3C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQCVDYMUIHIFN-OXJNMPFZSA-N", "SMILES:CC(=O)N1c2ccc(NC(=O)CCCCCCC(=O)O)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEWUSNDDNEYDE-UHFFFAOYSA-N", "SMILES:C#CCCCC(=O)Nc1ccc(C(=O)c2ccc(Nc3ncc(F)c(Nc4ccccc4NS(C)(=O)=O)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBWYXBGHZFZKH-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(CN3Cc4ccccc4C3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFDGQFKQWWWJW-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)c1c(O)cc(OC)cc1CC(=O)OCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3218048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNWJKVMFUQKTSO-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJOEXQIKJSEAV-XEVVZDEMSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc(C(=O)c3ccc(NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3)cc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWXSWDTSCCVME-UHFFFAOYSA-N", "SMILES:CC1(C)OB(c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDFHONIYXKNAR-UHFFFAOYSA-N", "SMILES:CC1(C)OB(c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYBEYDDKJTSQR-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1B1OC(C)(C)C(C)(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVNXPIYGOSLLQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1B1OC(C)(C)C(C)(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQJUWYAFMCLIQ-UHFFFAOYSA-N", "SMILES:OB(O)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SESKZHLGRYOBRC-UHFFFAOYSA-N", "SMILES:OB(O)c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHKEDVAEAQBPH-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCPTUEQWBLSUEB-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3217774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLYTFBHRHGMMG-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cccc(B(O)O)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBHEDINBNHESH-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cccc(B(O)O)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSLXSIBRMZOAE-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(B(O)O)cc3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMDAAVYEDSCRI-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(B(O)O)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKLBFYMQFBFJF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NCc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJZCMDVKJVQZOK-OXDQJDMFSA-M", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OCC(CO[C@@H]1O[C@H](CS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRAVZYLCDVNOHT-BTMZFSHUSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCXOBGAYSUPNJB-UHFFFAOYSA-N", "SMILES:O=C1CN=C(NCCc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1962361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPWATVWOHQZVRP-NSHDSACASA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDXOHJBSCMDQG-WDZFZDKYSA-N", "SMILES:O=C1/C(=C/c2ccc(F)cc2F)N=C2SCCCN12"]}
{"name": "G-protein coupled receptor 55", "xref": ["CHEMBL.TARGET:CHEMBL1075322"], "id": "UniProtKB:Q9Y2T6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUUFSORVXGKJO-YFHOEESVSA-N", "SMILES:O=C1/C(=C/c2cccc(F)c2F)N=C2SCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBHQXZWCGJMABF-YFHOEESVSA-N", "SMILES:O=C1/C(=C/c2cccc(Cl)c2Cl)N=C2SCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIOSBVONOYJYHD-FLIBITNWSA-N", "SMILES:O=C1/C(=C/c2ccccc2Cl)N=C2SCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUSXKWWQIDZNB-QYOKHMATSA-M", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO[C@H]1O[C@H](CS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTZUZHNGAWOKI-YCZSLJRFSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)OCc2ccc(NC(=O)OCc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c([N+](=O)[O-])c3)c(COC(=O)N[C@H]3C[C@H](O[C@H]4C[C@](O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)O[C@@H](C)[C@H]3O)c2)[C@H](O)[C@H](C)O1"]}
{"name": "Beta-glucuronidase", "xref": ["CHEMBL.TARGET:CHEMBL3217380"], "id": "UniProtKB:P05804", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTDTEVXYWDJDO-RRODHNOWSA-N", "SMILES:Cl.N=C(N)NCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCCCNC(=N)N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCNC(=N)N)[C@H](OC(=O)CCCCCNC(=N)N)[C@H]2OC(=O)CCCCCNC(=N)N)O[C@H](CO)[C@H]1OC(=O)CCCCCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMBSBEOQGXSOLM-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)c1oc2ccc(Cl)cc2c(=O)c1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJHGNHIUDHMKL-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)c1oc2ccccc2c(=O)c1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIFTBTXGLGLGJ-UHFFFAOYSA-N", "SMILES:O=Cc1c(Nc2ccccc2)oc2cc(Cl)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHRCJVWTVSKPR-UHFFFAOYSA-N", "SMILES:O=Cc1c(Nc2ccccc2)oc2ccc(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCKHKVKDVRMIRP-UHFFFAOYSA-N", "SMILES:O=Cc1c(Nc2ccccc2)oc2ccc(Cl)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZIRZJDPPIXKEY-UHFFFAOYSA-N", "SMILES:O=Cc1c(Nc2ccccc2)oc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL84898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGLNCRTMDRUAO-UHFFFAOYSA-N", "SMILES:O=Cc1coc2ccc(Cl)cc2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL103769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UREJDUPKGMFJRU-UHFFFAOYSA-N", "SMILES:S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1591395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJDVCXUKWYKPE-UHFFFAOYSA-N", "SMILES:S=C(NCCCc1cnc[nH]1)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHPKLUMSSJTTA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2cc(Nc3cccc(Br)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWQYSUDZIQOPV-RELWKKBWSA-N", "SMILES:Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1-n1c(/C=C/c2ccnc3ccccc23)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYLRIURPVLIDI-XUTLUUPISA-N", "SMILES:Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1-n1c(/C=C/c2c(Cl)cccc2Cl)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHUDOSBWFIVBJ-OQKWZONESA-N", "SMILES:COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccc(C(C)(C)C)cc3)cc2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBINIXILONNYSF-LTGZKZEYSA-N", "SMILES:COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccc(C(C)(C)C)cc3)cc2C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZXTZWMCDWMUFR-HTXNQAPBSA-N", "SMILES:COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccccc3)cc2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRQZTMUTHMHAPZ-UOYXXSKYSA-N", "SMILES:CCN(CC)CC.N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCC#Cc5cccc(CO/N=c6/ccn([C@@H]7O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]7O)c(=O)[nH]6)c5)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVNCNSJFMMFHPL-GSVOUGTGSA-N", "SMILES:CC(C)(S)[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"name": "Serine palmitoyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3217400"], "id": "UniProtKB:Q93UV0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13689"]}
{"id": "CHEMBL.COMPOUND:CHEMBL863", "category": ["biolink:ChemicalEntity"], "name": "CYSTEINE", "xref": ["InChIKey:XUJNEKJLAYXESH-REOHCLBHSA-N", "SMILES:N[C@@H](CS)C(=O)O"], "synonym": ["E920", "E921", "Cysteine", "Cisteina", "L-cysteine", "Cysteine", "Cysteine", "Cysteinum", "E 920", "FEMA NO. 3263", "NSC-8746"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3220532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNXEOHLLDTQPN-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL579882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHYUALWDIXAVIZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(-c2ccccc2O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHVHZGCFYPNWOB-ZRRDKFOQSA-N", "SMILES:CCCC[C@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)COC1=O"]}
{"name": "SH2 domain-containing protein 2A", "xref": ["CHEMBL.TARGET:CHEMBL3217401"], "id": "UniProtKB:Q9NP31", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIPPQLNSCSOOW-XNHKUAGSSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"name": "Protein arginine N-methyltransferase 6", "xref": ["CHEMBL.TARGET:CHEMBL1275221"], "id": "UniProtKB:Q96LA8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPROWUGIMNMQPK-OMTQQZEYSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGUAINHBZRNHI-JTNSDRKUSA-N", "SMILES:CC/N=C(\\N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNQREJGRIFPCX-XNHKUAGSSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN/C(N)=N/O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQQLDWCVYFNFR-DMJQPPRDSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN/C(N)=N/Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDAUSOBIKXCBAC-OBCMTGTFSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN/C(N)=N/CC(F)(F)F)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJOCJMSJLQXEJK-PEWBXTNBSA-O", "SMILES:N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=[N+]1CCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLWVWSUJMUDMJX-SVENNQHVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN/C(N)=N/C1CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDNFPSXKYIUAR-UHFFFAOYSA-N", "SMILES:CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXITYOAGVQHQKZ-IRGGMKSGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(N)=O"]}
{"name": "NAD-dependent protein deacetylase", "xref": ["CHEMBL.TARGET:CHEMBL3217404"], "id": "UniProtKB:Q9WYW0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:243274"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDEKRXSQAZNKHV-FKBYEOEOSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCCC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTAIHJOUOCRLLG-VMWNOSHQSA-N", "SMILES:C[C@@](O)(/C=C/[C@@H]1OC(=O)C=C[C@@H]1OCc1ccc(OCCOCCOCc2cn(CCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)cc1)[C@@H](C[C@@H](O)/C=C\\C=C/C=C/CO)OP(=O)(O)O"]}
{"name": "Microtubule-associated protein 1B", "xref": ["CHEMBL.TARGET:CHEMBL3217382"], "id": "UniProtKB:P46821", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal L1 domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1075139"], "id": "UniProtKB:O76021", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DISDUTIDPHLTSZ-KLJDGLGGSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCn1cc(COCCOCCOc2ccc(COP(=O)(O)O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIAYUFWCNLGCTK-DRBLHXGMSA-N", "SMILES:C[C@@](O)(/C=C/[C@@H]1OC(=O)C=C[C@@H]1O)[C@@H](C[C@@H](O)/C=C\\C=C/C=C/CO)OP(=O)(O)O"], "chembl_natural_product": true}
{"name": "Microtubule-associated protein 1B", "xref": ["CHEMBL.TARGET:CHEMBL3217383"], "id": "UniProtKB:P15205", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNRSGOVCRWQSMA-ZBVBGGFBSA-N", "SMILES:Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](COC(=O)CCCCCCCCC(=O)OC[C@@H]4C=C[C@H](n5cnc6c(NC7CC7)nc(N)nc65)C4)C3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSVFPNCDYNYJQ-XWMTWEDSSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJBAYXSDBZXYFO-HDNARQLNSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBVODUGENEOTJ-CFOGERSUSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCOCCOCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAICCPUFDLWAMK-RJRPRDJMSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156897", "category": ["biolink:ChemicalEntity"], "name": "CANTHIN-6-ONE", "xref": ["InChIKey:ZERVJPYNQLONEK-UHFFFAOYSA-N", "SMILES:O=c1ccc2nccc3c4ccccc4n1c23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL508649", "category": ["biolink:ChemicalEntity"], "name": "5-METHOXYCANTHINONE", "xref": ["InChIKey:TXEFUSAHPIYZHD-UHFFFAOYSA-N", "SMILES:COc1cc2nccc3c4ccccc4n(c1=O)c23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3218583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCAFMNWUPZFPP-UHFFFAOYSA-N", "SMILES:O=c1ccc2nccc3c4cc(OCc5ccccc5)ccc4n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUFAFGVWPUJZAP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(Cl)cc4N)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3228462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOMIBNOPKRNNRA-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2c(n1)OCC(CCc1ccccc1)=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3229632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZIWNJRAVSDMFB-VNHOCEMUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3229633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJMKMIOJYPTECZ-QYUOUNJVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3229814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRSRFIPRQUQNT-VCZYFZCGSA-N", "SMILES:CCC(=O)NCC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O"]}
{"name": "Thymidine kinase, cytosolic", "xref": ["CHEMBL.TARGET:CHEMBL3227916"], "id": "UniProtKB:P09768", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3229680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBROYAAJNLMHR-DJLDLDEBSA-N", "SMILES:CCNc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3229681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWFBWNSDJJEXPP-DJLDLDEBSA-N", "SMILES:CC(=O)Nc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3228982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYOIQPPMMTUIR-PIXDULNESA-N", "SMILES:O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1/C=C/C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPYOQRIHGKSLQ-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)c(F)c3)o2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24057", "category": ["biolink:ChemicalEntity"], "name": "FURAMIDINE", "xref": ["InChIKey:ZJHZBDRZEZEDGB-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1"], "synonym": ["Furamidine", "DB-75", "DB75", "NSC-305831"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFILALBDDWJHK-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHBWAKMASIKBO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Cl)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNDJSDMEFMMOSK-UHFFFAOYSA-N", "SMILES:COc1ccccc1CC(=O)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYPGOAOLLLOOOT-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYSLYHIEAROBS-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVLXWHLBMOFAO-MCEBTLFFSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSANIYPIWXGLEG-CUPIEXAXSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWLHPWPDQSALN-CUPIEXAXSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXWLEXBWCBJTK-YRCZKMHPSA-N", "SMILES:Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQMYSRHKXCHJU-YDPTYEFTSA-N", "SMILES:Cc1cccc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDAHJDHUQDCNF-YDPTYEFTSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXLLCXDDUKGRD-ZYADHFCISA-N", "SMILES:Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c(C)cc(C)cc2C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKVLXSNNBUSNOA-XWGVYQGASA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLCYKYAOILVPS-GSDHBNRESA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVYRGRRGGSESBL-GSDHBNRESA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNBWKHVQZJPNPX-SDHOMARFSA-N", "SMILES:Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJGBUZQZJQFDK-HJOGWXRNSA-N", "SMILES:Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440765", "category": ["biolink:ChemicalEntity"], "name": "U-69593", "xref": ["InChIKey:PGZRDDYTKFZSFR-ONTIZHBOSA-N", "SMILES:CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3233217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCNSIKIMRANBNF-UHFFFAOYSA-N", "SMILES:NC1N=C(O)c2nc(CO)cnc2N1"]}
{"name": "2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase", "xref": ["CHEMBL.TARGET:CHEMBL3217379"], "id": "UniProtKB:P26281", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMOMSYBQPQPWMC-UHFFFAOYSA-N", "SMILES:CCCCCCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVDXWUBFJGSAN-UHFFFAOYSA-N", "SMILES:CCCCCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWSZWWIIFSQZII-UHFFFAOYSA-N", "SMILES:CCCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHODULUFNVILLN-CKOCRFSOSA-N", "SMILES:CO[C@@H]1[C@H](OC(=O)NCCCCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233481", "category": ["biolink:ChemicalEntity"], "name": "PJ34", "xref": ["InChIKey:RURAZZMDMNRXMI-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.Cl"]}
{"name": "Nucleoprotein", "xref": ["CHEMBL.TARGET:CHEMBL3232681"], "id": "UniProtKB:P33469", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:31631"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQZRHVILVDPGCV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDASMWJJFLCOHF-SNAWJCMRSA-N", "SMILES:O=C(/C=C/CN1CCCCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDQXCAKHPJSZET-OWOJBTEDSA-N", "SMILES:O=C(/C=C/CN1CC2CCC1C(=O)C2)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHEABVVFVAVASY-OWOJBTEDSA-N", "SMILES:O=C(/C=C/CN1CCC(F)(F)CC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQXQSGWELLIGJ-OWOJBTEDSA-N", "SMILES:O=C(/C=C/CN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEOAVQPFYZKIH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c(O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCRYQUXVYSHFOZ-CLSOAGJSSA-N", "SMILES:CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5c(c4)C(=O)c4cccc(O)c4C5=O)c3[C@H](C1)C2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592676", "category": ["biolink:ChemicalEntity"], "name": "ISOSILYBIN A", "xref": ["InChIKey:FDQAOULAVFHKBX-HKTJVKLFSA-N", "SMILES:COc1cc([C@H]2Oc3ccc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3O[C@@H]2CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2385300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTSDSKNXFWPJCS-NSHDSACASA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2cccc(Br)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOOCZVRHBHJRS-NSHDSACASA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYNDXWJAOOXTA-NSHDSACASA-N", "SMILES:COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWNZVBRWWMFCAO-HZCBDIJESA-N", "SMILES:Cc1cc(C(=O)Nc2ccccc2)c2ccc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUDFPXVGQHWSJN-NTGUUYCISA-O", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc4csc(=N)n4C)C(=O)N[C@@H](Cc4cn(Cc5ccccc5)c[n+]4C)C(=O)NC4CCN(C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"name": "Apelin receptor", "xref": ["CHEMBL.TARGET:CHEMBL2398"], "id": "UniProtKB:Q9JHG3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTLIYGFATXKANY-NARBMPSYSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc4csc(=N)n4C)C(=O)N[C@@H](Cc4cn(Cc5ccccc5)c[n+]4C)C(=O)NC4CCN(C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPCFBQOWIGQCK-CFXCWSAJSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCC[C@H](NC(=O)Cc4csc(=N)n4C)C(=O)N[C@@H](Cc4cn(Cc5ccccc5)c[n+]4C)C(=O)NC4CCN(C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVCCXXQASCRNH-XWQGWOARSA-O", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCC[C@H](NC(=O)Cc4csc(=N)n4C)C(=O)N[C@@H](Cc4cn(Cc5ccccc5)c[n+]4C)C(=O)NCC4CCN(C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHTOMUMOXQTHCH-NARBMPSYSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCC[C@H](NC(=O)Cc4csc(=N)n4C)C(=O)N[C@@H](Cc4cn(Cc5ccccc5)c[n+]4C)C(=O)NC4CCN(Cc5ccccc5)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNZNOYVGGKZKRX-WLTNIFSVSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCC[C@H](NC(=O)Cc4csc(=N)n4C)C(=O)N[C@@H](Cc4cn(Cc5ccccc5)cn4)C(=O)NC4CCN(C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWSKJCJNAIKNH-MJZUAXFLSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKYOUOAVIWGVLO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2)cc1)C1CCN(C(=O)c2ccco2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHITPSPEWPKHP-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-n2c3c(c4c2CC(C)(C)CC4=O)CCN(C)C3)cc2c1C(=O)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNBQNXELZHTAX-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc3c(c(CC(C)C)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMWZXPSBURRZMG-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc3c(c(C4CCCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPPIGTKEEHRYND-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=S)[nH]c2cc(-c3ccc(Cl)c(Cl)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGAYCWMECOXAOG-UHFFFAOYSA-N", "SMILES:NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTXGYSEKQHGAI-UHFFFAOYSA-N", "SMILES:NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHARDNKCLAAMRR-UHFFFAOYSA-N", "SMILES:NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIZLOGJRADKGZ-UHFFFAOYSA-N", "SMILES:NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIBCSEZIBMKBSI-SOIKFHLCSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N/C(N)=N/C)[C@H]1NC(C)=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSNCAARCFXQRL-LUHWTZLKSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N/C(N)=N/O)[C@H]1NC(C)=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKHKNXEQDIDAW-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1Nc1cccc(-c2cn(CCC3CCCC3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPVECIMQAQHDJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1Nc1ccc(-c2cn(Cc3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXZCXWBKVMUQS-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ccccc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKGVOWMAOYNJX-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(Nc2ccccc2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSGPCZWEQJJID-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMBBQJILJGRRI-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMJJMOQPLJZRU-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAKGGJYLHBHSQD-UHFFFAOYSA-N", "SMILES:COc1ccc(CN=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVXPKXPIBAQFJC-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYSBACOXNFZMW-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJHNVWVUOMRDZ-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEIERZPNHQWLF-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYJORRHESLLES-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJGQLXCBSJIIO-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUPIOWPQWUZMU-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEOLKFODUELIW-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKTNGIJJDQMLQL-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEXRVNUJCRPPRE-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPCWSAJKVTGKS-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOYPAPJJKOWVQA-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRDIOBBSDOAUDU-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCPVMFDLUPHAW-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NC[S+]([O-])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMFSSGXTSSIQFN-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJURTTRYYKQLGW-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQKPGABLHETMW-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUPSXUZPGGOOBX-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBUNXXCSORXQO-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSAOQMBWTXQMNZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCN=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMAJNZFBKKJLJH-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCN=[N+]=[N-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEXIFPQRJZLSN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCN=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOVWAHFLMWJOMT-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCN=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIJQEKIKYOCZFD-UHFFFAOYSA-N", "SMILES:COc1cccc(CCN=[N+]=[N-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUIDYQTXWIONQC-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRBBQSIDFSFJFY-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENQBIUVODNYBA-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXITUOSCJRXCBS-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQFQJGOICJHLEG-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLFUNCKATTWBI-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHLHQGJTIDCMRC-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZADQLKSFCVOTC-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDOSYAJVNWEFNC-VOTSOKGWSA-N", "SMILES:[N-]=[N+]=N/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNHEUZLNZSOEM-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMWVTNAPDLFAKS-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGMZROQNZDNMTQ-UHFFFAOYSA-N", "SMILES:Cc1ncsc1CCN=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTRLRINCMYICJO-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPKDSHDYUBDVKL-UHFFFAOYSA-N", "SMILES:COc1ccc(N=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVXDRCDGBCOJHX-UHFFFAOYSA-N", "SMILES:Cc1ccc(N=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHFLTICYUZLEII-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSJSMSBFMDFHK-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJOKWWVZXVTOIR-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSMVDPYHLFEAJE-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZVSJPFJBUBDK-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSZNIJDTSIVHN-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMDYYHOXIUBIO-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccccc1-c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3236184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGBEJGOTXYPGV-UHFFFAOYSA-N", "SMILES:Cc1ccc(N=[N+]=[N-])cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYISGPFBRUIUNB-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAFZJRQNDLNGIG-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCC(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBURYIXJGVQHAY-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)CN=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLQLXJASJZVPH-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQGRMGPIMCXSC-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCSc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDLLFLQFQMACJB-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCHSSCCMVWIXSK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(Cc2ccc(OS(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRUVZHPJVFCBHT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(Sc2ccc(OS(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCMYKCWZHZMGC-UHFFFAOYSA-N", "SMILES:O=C(O)CCCSCc1cccc(-n2ccc3cc(Br)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYAMFCTVRQWWEE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(SCc2cccc(-n3ccc4cc(Br)ccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKIRNTIQACZHBS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(SCc2cccc(-n3ccc4c(Br)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJOGIGKCTXMJB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFSBXSGROJNFH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cccc3c2ccn3-c2cccc(CNc3cccc(C(=O)O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMBEJKTNHHOCP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cccc3c2ccn3-c2cccc(CNc3cccc(C(=O)O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBHFDISXVBJMI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2cccc(-n3ccc4c(-c5ccc6ccccc6c5)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVEVDWPTYKHHAW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)ncnc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMEFYYNWPMLLSQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2cccc(-n3cnc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGVMEFISXIDTO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2cccc(-n3ccc4cc(-c5ccc(C(F)(F)F)cc5)ccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHHJVSEDBVTGU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2cccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)ccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKZXPNBIWYTRTN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2cccc(-n3ccc4cc(-c5ccc(C(F)(F)F)cc5)cnc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUVSCPICQILNG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)ncnc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTABNHIDEZACNF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2ccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)ncnc43)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJADUZUHNRQUKM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1S(=O)(=O)Nc1cccc(-n2ccc3c(-c4ccc(C(F)(F)F)cc4)cccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTAXSACSARUKA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(S(=O)(=O)Nc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKHVAXXUCNOOEX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(S(=O)(=O)Nc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONFZBRZWOTLPV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-n2ccc3c(-c4ccc(C(F)(F)F)cc4)cccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKAGQDKIIOVNKF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXCPWOMNDHPTO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNQLONEQWXJHL-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1cccc(-n2ccc3c(-c4ccc(C(F)(F)F)cc4)cccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHRRALZMWIDSX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXUQBAVGZKLDRT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJIBZKCCZAUUJU-GLBTYYSXSA-N", "SMILES:O=C(/C=C/c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZYGGSWWGQVIME-UXZSZYKQSA-N", "SMILES:O=C(/C=C/c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPUMMIJDKOEGAE-MNTLFOFUSA-N", "SMILES:O=C(/C=C/c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGSGBMMKQRFPCG-MNTLFOFUSA-N", "SMILES:O=C(/C=C/c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSERMQYRUJVJJE-BODNZJIQSA-N", "SMILES:COc1ccc(C(=O)N[C@H](COc2ccc(/C=C/C(=O)NO)cc2)Cc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABIZFOLNWICUKV-ZVIGXPOOSA-N", "SMILES:CCOC(=O)[C@]1(N)[C@@H]2C[C@@H]([C@@H](c3cccc(Nc4ccc(N)cc4)c3)C2)[C@@H]1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNERZHAOJDVDOW-RLAPCTFFSA-N", "SMILES:CCOC(=O)[C@]1(N)[C@@H]2C[C@@H](C[C@H]2c2cccc(Nc3ccc(N)cc3)c2)[C@@H]1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABIZFOLNWICUKV-HRRPPENISA-N", "SMILES:CCOC(=O)[C@]1(N)[C@@H]2C[C@@H]([C@@H](c3cccc(Nc4ccc(N)cc4)c3)C2)[C@H]1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNERZHAOJDVDOW-FCBJYRCWSA-N", "SMILES:CCOC(=O)[C@]1(N)[C@@H]2C[C@@H](C[C@H]2c2cccc(Nc3ccc(N)cc3)c2)[C@H]1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABIZFOLNWICUKV-QGBQMEQISA-N", "SMILES:CCOC(=O)[C@@]1(N)[C@@H]2C[C@@H]([C@@H](c3cccc(Nc4ccc(N)cc4)c3)C2)[C@@H]1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNERZHAOJDVDOW-QJVYPZHWSA-N", "SMILES:CCOC(=O)[C@@]1(N)[C@@H]2C[C@@H](C[C@H]2c2cccc(Nc3ccc(N)cc3)c2)[C@@H]1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBMUSVUNEJRRMX-UHFFFAOYSA-N", "SMILES:COCCn1c(C(=O)OC)c(NC(=O)Cc2ccccc2)c2cc(NC3CCCCCCC3)cnc21"]}
{"name": "Heat-shock protein", "xref": ["CHEMBL.TARGET:CHEMBL4296306"], "id": "UniProtKB:Q25869", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLAZBPSXWZCAF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCN3CCN(CCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)CC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRPBDXPQYUSWFL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3cc(Br)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSLQMRPSGAUIP-UBTPORKRSA-N", "SMILES:CN(C)/[N+]([O-])=N\\Oc1cc(O/N=[N+](\\[O-])N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTCFSFHPPARKV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLKNVKAYYSPJEF-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2OCc2cc(OC)c(OC)c(OC)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIHIYRIHCHQTIX-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccccc2CCc2cc(OC)c(OC)c(OC)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGOCOMUVOSOEK-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccccc2CCc2cc(OC)c(OC)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWUDAFOLLUCZET-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2ccccc2OCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFBQXKYZZZMDA-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2OCc2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBJBPZPSBQJRC-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2OCc2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBGLFWVBWIDDJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2OCc2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEGKQPBJVDUIS-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2NCc2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOGZXXJSBZFYQR-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2NC(=O)c2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPGAAIQKBCLAPC-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccccc2NC(=O)c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPYBKWDWWZIWNE-YTEMWHBBSA-N", "SMILES:COc1cccc(OC)c1/C=C/C(=O)c1ccc(C(=O)/C=C/c2c(OC)cccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXDXQMUVSMXCX-WGDLNXRISA-N", "SMILES:COc1cc(OC)cc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cc(OC)cc(OC)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUOFQEWEOBGDKU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3nc(Cl)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXPYERWZLIDZGR-GGOLNUEHSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)(S)NC(=O)c3cccnc3)[C@@H](O)C2(F)F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDBCTWUUDGXUII-VVUYAAESSA-N", "SMILES:C[C@H](NC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)c1ccnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKUIYMQGVZUIHW-RAIGVLPGSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](CN3CCn4nccc4C3)[C@@H](O)C2(F)F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZESVJFNJNONTA-OASPWFOLSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](CNCCN3CCCC3=O)[C@@H](O)C2(F)F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKYUKDSMLRKWMD-YUSALJHKSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](CNCc3ccco3)[C@@H](O)C2(F)F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKWVUINUXZCNX-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2c(C)cc3c(OCCCCNCCN(C)C)ccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIAXULDRUSKZEQ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2c(C)cc3c(OCCNCCN(C)C)ccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYNZFHVGOFCMD-KHVHPYDTSA-N", "SMILES:COc1cc(/C=C/c2ccc(O)cc2)ccc1/C=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUQCHZDMOJZGNW-NAFHFRDLSA-N", "SMILES:COc1cc(/C=C/c2ccc(CO)cc2)ccc1/C=C/c1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYQWKVKFVRPCEX-KHVHPYDTSA-N", "SMILES:COc1cc(/C=C/c2ccc(C(F)(F)F)cc2)ccc1/C=C/c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZGHWMMURKZLRK-KHVHPYDTSA-N", "SMILES:COc1cc(/C=C/c2ccc(OC(F)(F)F)cc2)ccc1/C=C/c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTASQUFDNVHDEO-KHVHPYDTSA-N", "SMILES:COc1cc(/C=C/c2ccc(C(F)(F)C(F)F)cc2)ccc1/C=C/c1ccc(C(F)(F)C(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YESWAUPDZVKAAW-RJTULKDBSA-N", "SMILES:Oc1cc(/C=C/c2ccc(C(F)(F)F)cc2)ccc1/C=C/c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMUTYZFOQWJTR-RJTULKDBSA-N", "SMILES:Oc1cc(/C=C/c2ccc(OC(F)(F)F)cc2)ccc1/C=C/c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJWUZJOPHSFSR-RJTULKDBSA-N", "SMILES:Oc1cc(/C=C/c2ccc(C(F)(F)C(F)F)cc2)ccc1/C=C/c1ccc(C(F)(F)C(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQZHKVCUWNTJJJ-RJTULKDBSA-N", "SMILES:Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POGYBGNMENGKMZ-RJTULKDBSA-N", "SMILES:Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)c(OCC(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZFRCLPBUDMKH-RJTULKDBSA-N", "SMILES:Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)c(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXNPATYQIOBHN-COBAKMAKSA-N", "SMILES:COc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC)c(C(F)(F)F)c3)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACHZBMEUWKKBB-LJIKRCSCSA-N", "SMILES:COc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC)c(C(F)(F)F)c3)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1984396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJJQZXJIRDYGM-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2c(O)ccc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL480099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GATGZQSBJAZYRT-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2c(O)cccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2204407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOFSOQDUZIZMBA-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2cccc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3236759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRCUZMYCSZHCEV-AUMBKBSLSA-N", "SMILES:CO[C@H]1O[C@H](COC2=CC(=O)c3c(O)ccc(O)c3C2=O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBLMGDBUJPMMF-UFRBAHOGSA-N", "SMILES:CO[C@H]1O[C@H](COC2=CC(=O)c3c(O)cccc3C2=O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZQMRTXWQGCHZ-UFRBAHOGSA-N", "SMILES:CO[C@H]1O[C@H](COC2=CC(=O)c3cccc(O)c3C2=O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1576702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMHLTLDUPBBEF-UHFFFAOYSA-N", "SMILES:O=C1C=C(O)c2c(O)cccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1364621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHDTJRXBMXFDL-UHFFFAOYSA-N", "SMILES:O=C1C=C(O)c2cccc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1987085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFXYVCPRQYVJDR-UHFFFAOYSA-N", "SMILES:O=C1C=C(O)C(=O)c2c(O)ccc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3235412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJXRDRMNYWCCEG-HNNXBMFYSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CC(=O)O)Cc1ccccc1"]}
{"name": "Insulin-degrading enzyme", "xref": ["CHEMBL.TARGET:CHEMBL1293287"], "id": "UniProtKB:P14735", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPAXTJXHXPFJN-KRWDZBQOSA-N", "SMILES:CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc1ccccc1)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3250951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVMAFFCZARSNHW-REOHCLBHSA-N", "SMILES:N[C@@H](CS(=O)(=O)NO)C(=O)O"]}
{"name": "Asparagine synthetase [glutamine-hydrolyzing]", "xref": ["CHEMBL.TARGET:CHEMBL2303"], "id": "UniProtKB:P49088", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3247798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNIQRCVWVXIDDE-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)COc1cccc(O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3247799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGYGKBGVNBUHQQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)COc1ccc(O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3251298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFVPSAZLZDJJRJ-UHFFFAOYSA-N", "SMILES:CC1(C)NC1C(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3251300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CATNXLVQVNCSIK-UHFFFAOYSA-N", "SMILES:CC1(C)NC1C(O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3248391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZIMILIVXKFBO-UHFFFAOYSA-N", "SMILES:COc1cc(CC(CN)c2ccc(O)c(O)c2)cc(OC)c1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIQZSQMVSOUFB-ZDUSSCGKSA-N", "SMILES:Nc1nc(=O)c2c([nH]1)NCC(CCSc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)=N2"]}
{"name": "Dihydrofolate reductase", "xref": ["CHEMBL.TARGET:CHEMBL2902"], "id": "UniProtKB:P00381", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1582"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3246228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGEKVENERQVGLW-UHFFFAOYSA-N", "SMILES:COc1cc(Br)ccc1C(O)CNC(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3246232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIOMCCPHBSHWJU-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1C(O)CNC(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYJJNCPBSHEQPK-YZRZUMJVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)(C)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"name": "Oxytocin receptor", "xref": ["CHEMBL.TARGET:CHEMBL3243907"], "id": "UniProtKB:P97926", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTRJJZQLVHLJP-HYPKMYQESA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C(C)(C)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBZBRMBEAWOCAH-UHFFFAOYSA-N", "SMILES:CCCC1(CCC(=O)O)Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYIDLOABLPNLRK-UHFFFAOYSA-N", "SMILES:CCCC1(CCC(=O)O)Cc2cc3c(cc2C1=O)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUUHQQFHLXECRK-UHFFFAOYSA-N", "SMILES:CCCC1(CCC(=O)O)Cc2cc3c(cc2C1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNYYYAKTGAIMG-UHFFFAOYSA-N", "SMILES:CCCC1(CCC(=O)O)Cc2ccc(OC)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMDCZYZYPIPIQ-BIUJGKDFSA-N", "SMILES:C[C@]12CCC(=O)C=C1C[C@@H](SCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVAXWDUIVJXHHC-ABOBXUOQSA-N", "SMILES:CCCCS[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWHPBPVRBDEFM-UMIMZVJRSA-N", "SMILES:C[C@]12CCC(=O)C=C1C[C@@H](SCCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYCIRLLVDXMID-UMIMZVJRSA-N", "SMILES:COc1ccc(CS[C@@H]2CC3=CC(=O)CC[C@]3(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFMCSMLOQKMMIX-RGJWXQDMSA-N", "SMILES:C[C@]12CCC(=O)C=C1C[C@@H](Sc1ccc(N)cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEKJEVJWWNUQDD-UHFFFAOYSA-N", "SMILES:Cc1c2c(c(C)n1-c1ccccc1)C(C)(C(N)=O)CC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3247440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJCIACBPBDNKH-OMSGHMRUSA-N", "SMILES:[3H]C([3H])([3H])C(N)C([3H])([3H])c1cc(O)c(C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3247441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIVDFFZHCJEHGG-LLCOILBOSA-N", "SMILES:[3H]C([3H])(CN)c1cc(O)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3247442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFYYTLLBUKUHU-WTJCDBBSSA-N", "SMILES:[3H]C([3H])(CN)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3247088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDILHJATGHDWBB-USTFCYDESA-N", "SMILES:CC(=O)[C@@]1(OC(=O)CBr)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"]}
{"name": "3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL3243917"], "id": "UniProtKB:P19992", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1905"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWQNXQZSHTTGJ-VMPITWQZSA-N", "SMILES:COC(=O)/C=C/CNC(=O)c1sc(-c2ccccc2F)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBIQTMYPBGSREQ-ONEGZZNKSA-N", "SMILES:COC(=O)/C=C/CNC(=O)c1cc(-c2ccc(C)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANCJFCTQIQVDD-SNAWJCMRSA-N", "SMILES:COC(=O)/C=C/CNC(=O)C1CCN(C(=O)CC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPIOIDSLGCBAD-UHFFFAOYSA-J", "SMILES:CC(C)=CCCC(C)=CCn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPIOIDSLGCBAD-BLSNBFPRSA-J", "SMILES:CC(C)=CCC/C(C)=C/Cn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPIOIDSLGCBAD-ZYBMAYOESA-J", "SMILES:CC(C)=CCC/C(C)=C\\Cn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258994", "category": ["biolink:ChemicalEntity"], "name": "DIGERANYL BISPHOSPHONATE", "xref": ["InChIKey:SQERRIVHBWCION-IWGRKNQJSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC(C/C=C(\\C)CCC=C(C)C)(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLQTXFUEXYGXOZ-KKWLSJBDSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)c3cnccn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMYMCJFCCPZCM-UHFFFAOYSA-N", "SMILES:O=C(CC(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FINWRTHNMLWWST-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1ccc(OCCCCCCN3CCCCC3C)cc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMEOAJCQENJBFD-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cccc2c1C(CCC(=O)OC)CN2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHCSAFZYROWFD-LPOZWGFCSA-N", "SMILES:COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(Cl)cc1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYRGWJAHIGFQK-UHFFFAOYSA-N", "SMILES:N#Cc1c(N2CCNCC2)c2ccccc2n2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJTAYFVCJYYYMH-UHFFFAOYSA-M", "SMILES:C[N+]1(C)CCN(c2c(C#N)c3nc4ccccc4n3c3ccccc23)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPZXJAVSMUEPU-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1c(C#N)c2nc3ccccc3n2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSNOTROAGEHAK-BCPZAANISA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CC)CCO)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQSQKAGYRKVHH-KSIOFUFLSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)CC(C)(C)O)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZQOCTWZVWCKEE-CCXVIJHQSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CC)CC(C)(C)O)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJEJHNVKWLOQHP-VFTISTBPSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)CCCO)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMQDCNQCUYRNR-XDEVHWLRSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CC)CCCO)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OILLQCLQUXHGBN-ZVBNMKQKSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)CC(O)(CC)CC)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCUJKCRUXHIWHW-VDYYGYAKSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCO)CCCC)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXHMKSDJHHTDU-PJSVQGINSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFMTXDIGGYUDP-RRFVCQSDSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CC)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYLJUVWAROMPTG-VFTISTBPSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CC)CC(O)(CC)CC)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSOANRIFOPZZPI-UKKSUYGISA-N", "SMILES:CC(=O)O[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3CC(NCCNc4ccnc5cc(Cl)ccc45)CC[C@@]32C)[C@@H]2CC[C@H]([C@H](C)CCCNCCNc3ccnc4cc(Cl)ccc34)[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRURAUBJFXKZDD-YQOPDAEUSA-N", "SMILES:CC(=O)O[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3CC(NCCCNc4ccnc5cc(Cl)ccc45)CC[C@@]32C)[C@@H]2CC[C@H]([C@H](C)CCCNCCCNc3ccnc4cc(Cl)ccc34)[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCXPYJJFGBKKO-HKTCIEFVSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"name": "Isoleucine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL3657"], "id": "UniProtKB:P00956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPTNGEDQDKTQSQ-UIZFPBIJSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c([N+](=O)[O-])cccc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKZHDGLJXVNIT-VBJYJYTRSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWBLVQYYWFOBPK-PQHYIPPWSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCSDXKWXBSABJE-VBJYJYTRSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTCXWZCSRBNOQ-HKTCIEFVSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVADCFYHYLTWJA-UIZFPBIJSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)cccc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXPJGPURVBXIAP-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1cccc(S(=O)(=O)n2ccc3cccnc32)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSIRVXGKDXLAU-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBXNABMPJYFQLL-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXYYPYDPEDTDSR-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1331211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUGANDSUVKXMEC-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZJRLTZEJDEFLT-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGZINWTGVOSRK-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1620811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHOSJKIPIAZPJP-UHFFFAOYSA-N", "SMILES:CN1C(=O)CC(c2ccccc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGBDKGIPGVCYBW-QHCPKHFHSA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2c(O)c(-c3ccccc3)c[nH]c2=O)cc1"]}
{"name": "RuvB-like 1", "xref": ["CHEMBL.TARGET:CHEMBL3259467"], "id": "UniProtKB:Q9Y265", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYKNQXJLCTVQZ-FQEVSTJZSA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2c(O)c3ccccc3[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUHYMMMIXQXDNJ-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROECGAWNHRGIRN-RILOYPOQSA-N", "SMILES:CCCCCC(=O)O[C@@H]1C=C2COC(=O)C2(O)[C@@]2(C)CCCC(C)(C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3263111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMJVJVBCUBCALD-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCDMIPPJAMZBZ-UHFFFAOYSA-N", "SMILES:Nc1cc(Cl)ccc1-c1nc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNRDYHRFVYFIHY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKURDEKTSXJDRZ-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)ccc1-c1nc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSMCYXVBDZJRK-QOGIMEQTSA-N", "SMILES:CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)[C@H](O)CCC(C)(C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL445022", "category": ["biolink:ChemicalEntity"], "name": "VOACAMINE", "xref": ["InChIKey:YASZRXHHZSXNQI-VRHVUSBISA-N", "SMILES:C/C=C1/CC2[C@H](C(=O)OC)C(NC)Cc3c([nH]c4ccccc34)[C@@H](c3cc4c(cc3OC)C3CCN5C[C@H]6C[C@H](CC)[C@H]5[C@@](C(=O)OC)(C6)C3N4)C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3263869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZGFZITYBNEDHQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDOXAQMJPJCGHT-IVTYSHCBSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CC#C[C@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFJLHOSCLNTAFF-BNRYCDLCSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CC#C[C@H](O)CC45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFJLHOSCLNTAFF-NWNPMFOZSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CC#C[C@@H](O)CC45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOEIYCDNOQOFJF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2cccc(N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBFFPBCFJFRPJ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)CC(C2CCN(S(=O)(=O)CCC)CC2)O3)CC1"]}
{"name": "Glucose-dependent insulinotropic receptor", "xref": ["CHEMBL.TARGET:CHEMBL5263"], "id": "UniProtKB:Q7TQP3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGMBKENQJILTEB-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)CC(C2CCN(C(=O)OC4CCCCC4)CC2)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDKCOMGVQZUKBN-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)CC(C2CCN(c4ncc(Cl)cn4)CC2)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQMXDUETVOTAM-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)CC(C2CCN(c4ncc(C(F)(F)F)cn4)CC2)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZSGQPLGMORIGT-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)CC(C2CCN(c4ncc(C5CC5)cn4)CC2)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQXXSMOSTVQXSK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)CC(C2CCN(c4ccc(C(F)(F)F)cn4)CC2)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSHQAUXPDNFHH-UHFFFAOYSA-N", "SMILES:CCCc1cnc(N2CCC(C3Cc4cc(C5=CCN(S(=O)(=O)CCC)CC5)ccc4O3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYSGCRDWVFIYTA-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)CC(C2CCN(Cc4ccccc4)CC2)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IASOXBUPYJVERA-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)CC(C2CCN(C(=O)OC(C)C)CC2)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTMZGOMAHLESC-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCCN3CCOCC3)c3c(c2cc1OCCCN(C)C)C(=O)c1cc2c(cc1-3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJGGGVMLBFMTL-UHFFFAOYSA-N", "SMILES:CCNCCCOc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXLQHGJRMRRLZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCCN3CCOCC3)c3c(c2cc1OCCCN1CCN(C)CC1)C(=O)c1cc2c(cc1-3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKYHAKXEMRNAJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCCN3CCOCC3)c3c(c2cc1OCCCN1CCCCC1)C(=O)c1cc2c(cc1-3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMAYIHMAVJSAG-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCCN3CCOCC3)c3c(c2cc1OCCCN1CCCC1)C(=O)c1cc2c(cc1-3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACXPQSXSUISIRO-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCCN3CCOCC3)c3c(c2cc1O)C(=O)c1cc2c(cc1-3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXPFOFIAFXORO-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCCN3CCOCC3)c3c(c2cc1OCCCN1CCOCC1)C(=O)c1cc2c(cc1-3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMBFBCZVOZXENL-UHFFFAOYSA-N", "SMILES:COC(=O)COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTRXCCFHILOHJK-UHFFFAOYSA-N", "SMILES:Br.CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUZZQZAVMPKLP-UHFFFAOYSA-N", "SMILES:CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095777", "category": ["biolink:ChemicalEntity"], "name": "INDACATEROL", "xref": ["InChIKey:QZZUEBNBZAPZLX-QFIPXVFZSA-N", "SMILES:CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2"], "synonym": ["Indacaterol", "Indacaterol", "Indacaterol", "Indacaterol", "Indacterol", "Onbrez", "QAB-149", "QAB149", "QABI49", "Indacaterol"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Beta-2 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL2289"], "id": "UniProtKB:P54833", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNDUKXQLGVTYAZ-CSKARUKUSA-N", "SMILES:CC(C)=CCCC1(C)C=Cc2c(ccc(C(=O)/C=C/c3cccnc3)c2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMXHCYBMZHUFV-UHFFFAOYSA-M", "SMILES:CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OCC)c(OS(=O)(=O)[O-])cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3259880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTMWNVYSIIRNHA-MRXNPFEDSA-N", "SMILES:CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3259883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWRKLVHBVGGNIN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2nsc(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHBRWBFWESIPKH-UHFFFAOYSA-N", "SMILES:Cc1oc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDBOPMEOKWIPD-UHFFFAOYSA-N", "SMILES:CC1(C(=O)NCCCn2ccnc2)CC1(Cl)Cl"]}
{"name": "Lipoprotein lipase", "xref": ["CHEMBL.TARGET:CHEMBL2060"], "id": "UniProtKB:P06858", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1548353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYXYXTDIFMDJIR-UHFFFAOYSA-N", "SMILES:CNc1oc(-c2cccc3ccccc23)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGBONAICBOTBD-UHFFFAOYSA-N", "SMILES:CNc1oc(-c2cccc(Cl)c2Cl)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKMTALYHIOLPG-UHFFFAOYSA-N", "SMILES:CNc1oc(-c2ccc(Cl)c(Cl)c2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRUURKJNKWXSA-UHFFFAOYSA-N", "SMILES:CNc1sc(-c2cccc3ccccc23)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHLQEIGNQACKC-FDZRIHCXSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCNC(=O)COc5ccc(CCCO/N=c6/ccn([C@@H]7O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]7O)c(=O)[nH]6)cc5)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFGJXBDIZQEHP-NJFIWEGUSA-N", "SMILES:O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCn1cc(CCNC(=O)COc2ccc(CCCO/N=c3/ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]4O)c(=O)[nH]3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIXMJTYHQHQJLU-SNVBAGLBSA-N", "SMILES:COC(=O)C[C@H]1CC(c2ccc(O)cc2)=NO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3261343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIAMBYTZHAPBQC-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCCO5)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHXXBRBGWUOHR-NYYWCZLTSA-N", "SMILES:COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1"]}
{"name": "G-protein coupled receptor 183", "xref": ["CHEMBL.TARGET:CHEMBL3259470"], "id": "UniProtKB:P32249", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polyunsaturated fatty acid lipoxygenase ALOX15", "xref": ["CHEMBL.TARGET:CHEMBL3259476"], "id": "UniProtKB:P39654", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLQQHHKXDWFPAR-UHFFFAOYSA-N", "SMILES:CNc1oc(-c2ccc(-c3ccccc3)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWFCOCJZRHBHRH-UHFFFAOYSA-N", "SMILES:N#Cc1nc(-c2cccc3ccccc23)oc1NC1CNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKCHWQVDJWGIDR-PMWRKVJASA-N", "SMILES:CCN(CC)CC.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOS(=O)(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYODQVFTMGTTM-XJLFEYRGSA-M", "SMILES:C[C@H](CCCCCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVCMYFJVGLGLS-GBURMNQMSA-N", "SMILES:C[C@H](CCC(=O)NCCOS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZRKCUAZCXBMFI-QCEYTSCOSA-M", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOS(=O)(=O)[O-])CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]"]}
{"name": "G-protein coupled bile acid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1255150"], "id": "UniProtKB:Q80SS6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYASLGJTZDIAO-NOMGZSDZSA-N", "SMILES:COc1cc([C@@H]2[C@@H](C)[C@H]3[C@@H]2c2c(c4ccccc4[nH]c2=O)OC3(C)C)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3264099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZQWAXGDCUONOB-QKARTHDOSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)[C@]3(C4)C(=O)O[C@@H]4[C@H]5C(C)=CC[C@H]5[C@](C)(O)C[C@H](OC(C)=O)[C@H]43)[C@](C)(O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3263571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHLNQDRVMDXQD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(-c3cn(C(=O)N4CCCCC4c4ccccc4)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNPQWOLYKTKMQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(-c2cn(C(=O)N3CCCCC3c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKTWBMCGCYIQOB-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCC1c1ccccc1)n1cc(-c2ccc(-c3ccccc3CO)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GICNKPZHUCVFNM-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCC1c1ccccc1)n1cc(-c2ccc(-c3cccc(CO)c3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKSRPGXIWERQX-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCC1c1ccccc1)n1cc(-c2ccc(-c3ccc(CO)cc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLYIQHSZEKWRBU-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(-c3cn(C(=O)N4CCCCC4c4ccccc4)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSSCOJOXPDDHOO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(-c3cn(C(=O)N4CCCCC4Cc4ccccc4)nn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYZQMOYVVPXBV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(-c3cn(C(=O)N4CCCCC4c4ccccc4)nn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYHWDEHHBFQZHO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(-c3cn(C(=O)N4CCCCC4CCc4ccccc4)nn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2136920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXVVJNJNDCJCFS-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(-c2cn(C(=O)N3CCCCC3Cc3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVGWNCZIVOVMK-UHFFFAOYSA-N", "SMILES:C#CCOCCCc1ccc(C2CCCCN2C(=O)n2cc(-c3ccc(-c4ccc(OC)cc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLEYHCXRJSYPPC-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCC1Cc1ccccc1)n1cc(-c2ccc(-c3cccc(CO)c3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLYMURUDBXXFOP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc(-c3cn(C(=O)N4CCCCC4Cc4ccccc4)nn3)cc2)cc1)N1CCCCC1"]}
{"name": "Acylamino-acid-releasing enzyme", "xref": ["CHEMBL.TARGET:CHEMBL2189142"], "id": "UniProtKB:Q8R146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGQNTNACVSWXMA-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccc(-c3cn(C(=O)N4CCCCC4c4ccccc4)nn3)cc2)c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXARFAFHXOQGDO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc(-c3cn(C(=O)N4CCCCC4c4ccccc4)nn3)cc2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGWKXPKGOBGSH-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c(c1)C(=O)c1c(I)c(O)c(I)c(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHSTRUGLOAIJU-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)c1cc(O)cc(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3263624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKACQGPWCJNSL-IDTAVKCVSA-N", "SMILES:CCCCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKVRCQVBVNSXAB-JJPFLPBXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CC(N)CC2CCCCC2)[C@@H](O)[C@H]1O"]}
{"name": "DNA topoisomerase 1", "xref": ["CHEMBL.TARGET:CHEMBL3259513"], "id": "UniProtKB:P06612", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFCKENUDNTMRB-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQROZMCEHXFGBY-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPCWRKLTAPXZDQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(-c5cnn(C)c5)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGZVRWOGVFSLZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(-c5ccoc5)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTUMOAINSRLGC-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(-c5ccsc5)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMLPTVNOQPZHSM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C(c2ccccc2)CN(C)CC3)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNVJKMKVJXWKNX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)CN(C)CC3)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201369", "category": ["biolink:ChemicalEntity"], "name": "GTP", "xref": ["InChIKey:XKMLYUALXHKNFT-FJFJXFQQSA-N", "SMILES:Nc1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]3O)c2[nH]1"], "synonym": ["9beta-d-arabinofuranosylguanosine 5'-triphosphate", "Gtp"], "chembl_natural_product": true}
{"name": "Uracil nucleotide/cysteinyl leukotriene receptor", "xref": ["CHEMBL.TARGET:CHEMBL1075162"], "id": "UniProtKB:Q13304", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLGSEOAVLVTJDH-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3265238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAQWKARFCURWKO-HNNXBMFYSA-N", "SMILES:COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3249681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPWUTXWQOJTNFE-UHFFFAOYSA-L", "SMILES:CC(=O)OCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CCOC(C)=O)cc2)cc1.[Br-].[Br-]"]}
{"name": "Acetylcholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL4768"], "id": "UniProtKB:P23795", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3275923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRTUXJRQBMMXTJ-UHFFFAOYSA-N", "SMILES:COc1cc(CC2(C)NCCc3cc(O)c(O)cc32)cc(OC)c1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3275924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJAQMBITWOEZRG-UHFFFAOYSA-N", "SMILES:COc1cc(CC2(Cc3ccccc3)NCCc3cc(O)c(O)cc32)cc(OC)c1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1424", "category": ["biolink:ChemicalEntity"], "name": "XANTHINE", "xref": ["InChIKey:LRFVTYWOQMYALW-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2nc[nH]c2[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3276835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLHCRNWCKCTZMF-UHFFFAOYSA-N", "SMILES:Oc1cc(O)n2nccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3276839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOILRYDPQMJET-UHFFFAOYSA-N", "SMILES:Oc1cc(O)n2ncc(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3276841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGESRZOVHZOPDY-UHFFFAOYSA-N", "SMILES:Oc1cc(O)n2ncc(-c3ccc(Br)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3277367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYYAZGVQQWKVRG-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2135857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBJAVGHACCNRL-UHFFFAOYSA-N", "SMILES:C=CC(=O)OCCN(C)C"]}
{"name": "Choline O-acetyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3945"], "id": "UniProtKB:P32738", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3274942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKLWPIJUANGPO-CUZNLEPHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKFPALGXKOOBK-VARPQBCJSA-N", "SMILES:C[C@]1(c2ccccc2)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUEPTZWPNKENQB-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)n(CCCc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1"]}
{"name": "Deoxycytidine kinase", "xref": ["CHEMBL.TARGET:CHEMBL3271929"], "id": "UniProtKB:P48769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKGLFJPDFIUJAC-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)n(CCOc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCZILWHNCWYEQ-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)n(CCCOc2ccccc2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNVYNVYZDFXNPD-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)n(CCCOc2ccccc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1160991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVQFALCKFOREH-NCZFFCEISA-N", "SMILES:CC/C(=C\\COP(=O)(O)OP(=O)(O)O)CC/C=C(\\C)CCC=C(C)C"]}
{"name": "Squalene synthase ERG9", "xref": ["CHEMBL.TARGET:CHEMBL3271930"], "id": "UniProtKB:P29704", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBESKGJJUIVTJV-WCKMZMOMSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(I)=C\\COP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGZPBRBKOVTIMS-WCKMZMOMSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C=C(/I)COP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHLSEHUCYWWNE-YFVJMOTDSA-N", "SMILES:CSC(C/C=C(\\C)CCC=C(C)C)/C(C)=C/COP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41342", "category": ["biolink:ChemicalEntity"], "name": "GERANYL DIPHOSPHATE", "xref": ["InChIKey:GVVPGTZRZFNKDS-JXMROGBWSA-N", "SMILES:CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3273678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIELEYQUFKXFGM-RVDMUPIBSA-N", "SMILES:C/C(=C\\COP(=O)(O)OP(=O)(O)O)CCCC(C)CCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPLBNCCPZSWEU-HMMYKYKNSA-N", "SMILES:C/C(=C\\COP(=O)(O)OP(=O)(O)O)CCCC(C)CCCC(C)CCCC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3273681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJFEPYMTKDKMH-UHFFFAOYSA-N", "SMILES:CC(C)CCCC(C)CCCC(C)CCOP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL69330", "category": ["biolink:ChemicalEntity"], "name": "FARNESYL DIPHOSPHATE", "xref": ["InChIKey:VWFJDQUYCIWHTN-YFVJMOTDSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3273674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEXDUMLYCKKMI-MQIHADEYSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C(\\C)COP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFSHNJXUHHFZPQ-XOBXVUKQSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C=C/COP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRZFNDFSMUTCZ-GXDHUFHOSA-N", "SMILES:CC(C)=CCC/C(C)=C/CCC#CCOP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFSUCOXLQUJTOK-UHFFFAOYSA-N", "SMILES:Br.Br.CN(C)CCc1cc(O)c(O)cc1N"]}
{"name": "Catechol O-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2372"], "id": "UniProtKB:P22734", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBGUEOFGRWFLRB-UHFFFAOYSA-N", "SMILES:Br.C[N+](C)(C)CCc1cc(O)c(O)cc1N.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKIGAUBOKXOGO-UHFFFAOYSA-N", "SMILES:Br.NCC1(c2cc(O)c(O)cc2N)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL131384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOMLIKNXFZFNRZ-UHFFFAOYSA-N", "SMILES:NCCc1cc(O)c(O)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTMIFUGIZGLEE-UHFFFAOYSA-N", "SMILES:Br.CC(N)C(C)(C)c1cc(O)c(O)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3278432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCNCYKVWMJRGCU-AEVYOOLXSA-N", "SMILES:O=C(CI)NCCCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"name": "Pyruvate kinase PKLR", "xref": ["CHEMBL.TARGET:CHEMBL3089"], "id": "UniProtKB:P12928", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3244684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGPUHDTBFUPPD-UHFFFAOYSA-N", "SMILES:C=Cc1c(CO)cnc(C)c1O"]}
{"name": "Pyridoxine-5'-phosphate oxidase", "xref": ["CHEMBL.TARGET:CHEMBL3271932"], "id": "UniProtKB:Q9NVS9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XILXHFIVXUTXFG-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVFEZBYEVHNMM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADMBNUUNWJWIBB-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAQWKFBYWPNEL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJTZITGZMHOKOP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCHTSQNORXYQJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(OCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOBZLOHQXJCDZ-UHFFFAOYSA-N", "SMILES:CNCCOc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMEODEUIEXFXBB-UHFFFAOYSA-N", "SMILES:CNCCOc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYHWHDGNYCZFTQ-UHFFFAOYSA-N", "SMILES:CNc1nc(C(F)(F)c2ccccc2)nc2c1CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHHALLDEDARSAL-LBPRGKRZSA-N", "SMILES:CNc1nc(Cc2ccccc2)nc2c1CCNC[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTWVWABAWDKQNJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMOPKEHQPPXRSH-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256575", "category": ["biolink:ChemicalEntity"], "name": "BUTHIONINE SULFOXIMINE", "xref": ["InChIKey:KJQFBVYMGADDTQ-UHFFFAOYSA-N", "SMILES:CCCCS(=N)(=O)CCC(N)C(=O)O"], "synonym": ["Buthionine sulfoximine", "Buthionine sulfoxamine", "Buthionine sulfoximine", "Butionine sulfoximine", "Dl-buthionine (s,r)-sulfoximine", "L-buthionine(s,r)-sulfoximine", "L-buthionine-sulfoximine", "NSC-381100"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3286585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRDVOZMDNOYFJK-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(F)c1)n1cc2c3c(cccc31)N1CCNCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZZQRMKZEWWBQZ-ZZXKWVIFSA-N", "SMILES:COc1cc(/C=C/c2cc(-c3ccc(O)c(OC)c3)[nH]n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANOSZNOBPFLFO-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYOSXJYDRLFAL-SEYXRHQNSA-N", "SMILES:O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/SC(=S)N(NC(=O)c2cccnc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYHUASBFLUERAB-WSDFUILTSA-N", "SMILES:CCOC(=O)CNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nc6ccccc6nc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"name": "Tryptophan 5-hydroxylase 2", "xref": ["CHEMBL.TARGET:CHEMBL3286063"], "id": "UniProtKB:Q8CGU9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTZKEDSUXKTTTC-KXQOOQHDSA-N", "SMILES:c1ccc(Cn2c(-c3ccc(OC[C@H](C4CCNCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGSNPGPRRSEET-YWHCRWFKSA-N", "SMILES:CC[C@@H](C)[C@H]1O[C@]1(C)[C@@H]1C(C)=C[C@@H]2CC(C)=CC[C@H]2[C@@H]1/C=C/C=C/C=C/C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3290499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROAXMKARTPGXAB-ITGIICLMSA-N", "SMILES:CC1=CC[C@@H]2[C@H](C=C(C)[C@H]3[C@]4(C)OCC[C@@H](C)[C@H]4O[C@H](/C=C/C=C/C(=O)O)[C@@H](O)[C@@]23O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3290500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGBJDDGVFZUUMK-GRMCZHRFSA-N", "SMILES:CC1=CC[C@H]2[C@@H]3[C@H](O)[C@@H](/C=C/C=C/C(=O)O)O[C@@H]4[C@H](C)CCO[C@@]4(C)[C@@H]3C(C)=C[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3290501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQAFDIKVNMLDOJ-VHAQSBPASA-N", "SMILES:CC[C@@H](C)[C@H]1O[C@H](/C=C/C=C/C(=O)O)[C@@H](O)[C@@]2(O)[C@@H]3CC=C(C)C[C@H]3C=C(C)[C@H]2[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3290502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYDPIJWXFEKAF-HVTBUZGZSA-N", "SMILES:C=C1[C@@H]2C(C)=C[C@@H]3CC(C)=CC[C@H]3[C@@H]2[C@H](O)[C@@H](/C=C/C=C/C(=O)O)O[C@@H]1[C@H](C)CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3290503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNNQLHOUBURQQV-LJTYFLQPSA-N", "SMILES:C=C1[C@@H]([C@H](C)CC)O[C@H](/C=C/C=C/C(=O)O)[C@@H](O)[C@H]2[C@@H]3CC=C(C)C[C@H]3C=C(C)[C@@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2042333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYHMCEZDZZBPAQ-QGTGJCAVSA-N", "SMILES:C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"name": "Solute carrier family 2, facilitated glucose transporter member 4", "xref": ["CHEMBL.TARGET:CHEMBL3286066"], "id": "UniProtKB:P19357", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2042328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXYXPRAPFYNNIY-YOJQYFTNSA-N", "SMILES:C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACDMVTUFRXNZTM-KZLZZLGBSA-N", "SMILES:C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKBQYFJKJMGYJS-SSOWIUIBSA-N", "SMILES:CC1(C)[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C6C=NN(C(=O)/C=C/c7ccccc7)C6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUCZYJVWVZKAH-AREMUKBSSA-N", "SMILES:COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKDBIDPGKCZJS-KZULUSFZSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL180570", "category": ["biolink:ChemicalEntity"], "name": "MEDRONIC ACID", "xref": ["InChIKey:MBKDYNNUVRNNRF-UHFFFAOYSA-N", "SMILES:O=P(O)(O)CP(=O)(O)O"], "synonym": ["Medronic acid", "Medronic acid", "Acide medronique", "Acido medronico", "Medronic acid", "Medronate", "Medronic acid", "Phosphonic acid, methylenebis-", "Phosphonic acid, methylenedi-", "Medronic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3291019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRSFRGWPPYVGZ-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(O)c2ncccc12)C(C#N)CCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3291022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRFGCNWUFZBLO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)OCCCCOc1ccc(CNC(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3291023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHOHKPLNPSKULL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)OCCCCOc1cccc(CNC(=N)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINQALDDRNLFQP-UDISVJFJSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](O)(=S)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINQALDDRNLFQP-KAUSDDJZSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](O)(=S)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXXUOXTTXECHF-FGPCVGTKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](O)(=S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXXUOXTTXECHF-LDJOHHLFSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](O)(=S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFOFYSODKGYDA-IOSLPCCCSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUTPWJCHZIMJSP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)O3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNILPKOOBRBNEQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(Oc4cccnc4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1588664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTJWLEGCECXGSQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(C(=O)O)c1)c1cccc(NC(=O)c2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNQUVNMEOCANK-UHFFFAOYSA-N", "SMILES:N=C(Nc1ccccc1)SC1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3289398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYDVWIAGDJBEC-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOLFXDCHCCSCT-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cccn2c(=O)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTDYOSCIUCOUFB-UHFFFAOYSA-N", "SMILES:CN(C)CCCCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTDKLMFBBYADC-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAZSUSPAXCYQQA-UHFFFAOYSA-N", "SMILES:CC(CN(C)C)NC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXSCXXIFXNDHCZ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLKZEOPTRHRHG-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPSGCDLKARETBW-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(C)(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHZPLAYSPRYBA-CLOPGDOJSA-E", "SMILES:CCCCCO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]6O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6OS(=O)(=O)[O-])[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS(=O)(=O)[O-])[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NC(C)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICOBNEXLFYOZOC-SVSDVRNOSA-E", "SMILES:NCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6OS(=O)(=O)[O-])[C@H](O)[C@H]5NS(=O)(=O)[O-])[C@H](O)[C@H]4OS(=O)(=O)[O-])[C@H](O)[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEPXYQHHKOIABT-KCMCRQLSSA-E", "SMILES:CCCCCO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]6O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6OS(=O)(=O)[O-])[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS(=O)(=O)[O-])[C@H](O)[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"name": "Vitamin D3 receptor A", "xref": ["CHEMBL.TARGET:CHEMBL3217399"], "id": "UniProtKB:Q9PTN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRMQOXRGJQDQB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)c2ccc3c(-c4ccccc4)ccc(-c4ccccc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSRFKXIRXZLSV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)c2ccc3c(-c4ccccc4)ccc(-c4ccccc4)c3c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORCXYNFMZGFHMG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)c2ccc3c(-c4ccccc4)ccc(-c4ccccc4)c3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEIGMWDBCLBBS-ACCUITESSA-N", "SMILES:O=C(O)c1ccc(/C=C/c2ccc3c(-c4ccccc4)ccc(-c4ccccc4)c3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMMMWDPLKILDP-ACCUITESSA-N", "SMILES:O=C(O)c1ccc(/C=C/c2ccc3c(-c4ccccc4)ccc(-c4ccccc4)c3c2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGZYHZTJDOJQB-VAWYXSNFSA-N", "SMILES:O=C(O)c1ccc(/C=C/c2ccc3c(-c4ccccc4)ccc(-c4ccccc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIXNQTQDOBUKPR-QWHTXSJYSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXICUHJLOMNKOU-UHFFFAOYSA-N", "SMILES:CC1=CC(C)(C)NC(Nc2nc(-c3ccccc3)c3ccccc3n2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOVRUAPWCGSLC-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2ccc(O)c(Cc3ccc(O)cc3)c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3288676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSQZTJITSCKHI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2ccc(-c3cncnc3)cc2n2nc(-c3ccccc3)cc12"]}
{"name": "Peroxisome proliferator-activated receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL2129"], "id": "UniProtKB:P37230", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506", "category": ["biolink:ChemicalEntity"], "name": "PRIMAQUINE", "xref": ["InChIKey:INDBQLZJXZLFIT-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)CCCN)c2ncccc2c1"], "synonym": ["Primaquine", "Primaquine", "Primaquine", "Primaquina", "Primaquine", "Kanaprim", "Maliride", "Neo-quipenyl", "Primachin", "Primaquine", "NSC-27296", "SN-13272", "WR-2975"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3288475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQGDLYBYHOZHO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(NC(=O)CCCCCCS)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZKYVFRHEYSBLX-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2csc(NC(=O)CCCCCCS)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICSFVMPLTUIROB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(NC(=O)CCCCCCS)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGGGZWFUVPFLAP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2csc(NC(=O)CCCCCCS)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZLGUFPIJIVNO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2csc(NC(=O)CCCCCCS)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQULDSLCSDZAN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2csc(NC(=O)CCCCCCS)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRCJHYFPZFCFOJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCS)Nc1nc(-c2cccc(Cl)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXGRFUUXSGVGAN-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2csc(NC(=O)CCCCCCS)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUZVGUBKPDXQOI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2csc(NC(=O)CCCCCCS)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXVOHRQICAMJZ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCS)Nc1nc(-c2cccc(F)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXDDACJRSGRMV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCS)Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILAQIJXSKYTIE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(NC(=O)CCCCCCS)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJASXJGHKBMFAX-UHFFFAOYSA-N", "SMILES:COc1c(C)cc(-c2csc(NC(=O)CCCCCCS)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFUUBNUWRJHSLA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(NC(=O)CCCCCCS)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBKEJAOECVNFC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCS)Nc1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUUFRRUDHQROT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Oc2c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc3c(C)c(O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDNIEVKZXIEBIG-UHFFFAOYSA-N", "SMILES:Cc1c(O)ccc2c(OS(=O)(=O)c3ccc4ccccc4c3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVVADQHQAYDLMP-UHFFFAOYSA-N", "SMILES:Cc1c(O)ccc2c(OS(=O)(=O)c3ccc4cccnc4c3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLJJLBMYRFVVLA-NEMVALRASA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(OS(=O)(=O)c4ccc(C)cc4)c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIWILCBNYOGJQH-LDADJPATSA-N", "SMILES:CCCC(CCC)C(=O)OCC1(CO)C/C(=C\\c2cn(C)c3ccccc23)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBJOZVQHUZKJJ-CPNJWEJPSA-N", "SMILES:CCCC(CCC)C(=O)OCC1(CO)C/C(=C\\c2cccc3c2ccn3C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHESSERBDSKRDZ-DEDYPNTBSA-N", "SMILES:CCCC(CCC)C(=O)OCC1(CO)C/C(=C\\c2ccc3c(ccn3C)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKPDQMIETMHJBH-UDWIEESQSA-N", "SMILES:CCCC(CCC)C(=O)OCC1(CO)C/C(=C\\c2ccc3ccn(C)c3c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETICKHKBWHSEB-DEDYPNTBSA-N", "SMILES:CCCC(CCC)C(=O)OCC1(CO)C/C(=C\\c2cccc3ccn(C)c23)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQJRUJTZSGYBEZ-YVQNUNKESA-N", "SMILES:CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(=O)CCC"], "synonym": ["[3H]-Phorbol 12,13-Dibutyrate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3287114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJPULCRKCDKPZ-YDZHTSKRSA-N", "SMILES:O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc2c(s1)CSc1cc(Cl)c(Cl)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCLRLDOILEINS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2ccc(O)c(O)c2)C(=O)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3290406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELWWBDBFMAAMG-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287255", "category": ["biolink:ChemicalEntity"], "name": "BISTHIANOSTAT", "xref": ["InChIKey:MVJAEZIEZVJAFM-UHFFFAOYSA-N", "SMILES:O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1C1CC1)NO"], "synonym": ["Bisthianostat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLSDYZLJXRSMAZ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)[nH]c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISNMBUOBIHSCC-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)c(O)c2)[nH]c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXYOAAQQYVWRE-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)[nH]c2ccc(OCCO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJVLYAGNDVTILM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)c(O)c2)[nH]c2ccc(OCCO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWGKQFNVGJCVMN-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)[nH]c2ccc(OCCCO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEYIYRQNJWLEJP-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)c(O)c2)[nH]c2ccc(OCCCO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROIRXAWYRNJMCN-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)c(O)c2)n(Cc2ccccc2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVOCJPPXLPEFQA-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2ccc(O)c(O)c2)c(C)c2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZVIQXAULWLTNV-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)c(O)c2)n(C)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOQIVIJOTCKICO-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3ccc(OC)c(OC)c3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STAXGIBBSVZVCS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C)c(-c1ccc(OC)c(OC)c1)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYTRSOQFDCSKJO-UHFFFAOYSA-N", "SMILES:CC(=O)OCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDVGSIUVKMEDW-UHFFFAOYSA-N", "SMILES:COC(=O)CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBJCHADKLXZFV-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563553", "category": ["biolink:ChemicalEntity"], "name": "MULBERROFURAN H", "xref": ["InChIKey:ZVTKGVROAGDVCH-OQRWROFFSA-N", "SMILES:C[C@@]12C=C(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C[C@@H](C1)c1ccc(O)cc1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3288838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPAKXSCQEJXHSW-INIZCTEOSA-N", "SMILES:CC1(C)C=Cc2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL221907", "category": ["biolink:ChemicalEntity"], "name": "CUDRAFLAVONE B", "xref": ["InChIKey:XIWCDUHPYMOFIL-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1719948", "category": ["biolink:ChemicalEntity"], "name": "MORUSINOL", "xref": ["InChIKey:AFOKZNPZDXHDHD-UHFFFAOYSA-N", "SMILES:CC(C)(O)CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3287309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNLWZOMZWJCEF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)c(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKMOAEYSAVVRPZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1cccc(Nc2cc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1735595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHVJRKBZMUDEEV-XIHRTOKZSA-N", "SMILES:C=C[C@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]2CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL71893", "category": ["biolink:ChemicalEntity"], "name": "ABIETIC ACID", "xref": ["InChIKey:RSWGJHLUYNHPMX-ONCXSQPRSA-N", "SMILES:CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1410398", "category": ["biolink:ChemicalEntity"], "name": "PIMARIC ACID", "xref": ["InChIKey:MHVJRKBZMUDEEV-APQLOABGSA-N", "SMILES:C=C[C@@]1(C)C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2430574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMSNARUZUICOMA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(CCNC(=O)c1cccs1)n2Cc1cccc(C(F)(F)F)c1"]}
{"name": "Delta-aminolevulinic acid dehydratase, chloroplastic", "xref": ["CHEMBL.TARGET:CHEMBL3286082"], "id": "UniProtKB:P30124", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3888"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQJCENBVNZBEF-HAVVHWLPSA-N", "SMILES:CC1=C/C(=N\\NC(=O)c2cc3ccccc3cc2O)c2c(O)cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWSSZIBSKWTKFB-HAVVHWLPSA-N", "SMILES:CC1=C/C(=N\\NC(=O)Cc2c[nH]c3ccccc23)c2c(O)cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWSXPBPPSJPCI-UHFFFAOYSA-N", "SMILES:Nc1ccc2c3c(cccc13)C(=O)N(CCCCCC(=O)Nc1ccc([As](O)O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBGNRKKYTNLEDD-UHFFFAOYSA-N", "SMILES:Nc1ccc2c3c(cccc13)C(=O)N(CCCCCC(=O)Nc1ccc([As]3SCCCS3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUTAJMGNRLHARZ-UHFFFAOYSA-N", "SMILES:NCCCOc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1337170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRRGOUHITGRLBA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEVFWHLXCFNVPG-DTSDQNDWSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCc4ccc5c(c4)CO[C@@]5(CCCN(C)C)c4ccc(F)cc4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"name": "Delta-aminolevulinic acid dehydratase", "xref": ["CHEMBL.TARGET:CHEMBL3286086"], "id": "UniProtKB:Q59643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"name": "Delta-aminolevulinic acid dehydratase", "xref": ["CHEMBL.TARGET:CHEMBL3286083"], "id": "UniProtKB:P0ACB2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Delta-aminolevulinic acid dehydratase", "xref": ["CHEMBL.TARGET:CHEMBL3286084"], "id": "UniProtKB:C3LPU7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:579112"]}
{"name": "Delta-aminolevulinic acid dehydratase", "xref": ["CHEMBL.TARGET:CHEMBL3286085"], "id": "UniProtKB:F4MUJ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:913028"]}
{"name": "Delta-aminolevulinic acid dehydratase", "xref": ["CHEMBL.TARGET:CHEMBL3286081"], "id": "UniProtKB:Q5GSR3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:292805"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3291073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTBXSFGFOYLTM-NZEDGPFZSA-N", "SMILES:C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C(C)=C\\C)[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3289533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRHPKUGCNPEIRD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(/N=C(/N)NCc2ccco2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHJXYQBFRUAPGL-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(/N=C(/N)NCc2ccco2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMPMJRVSXCBXSU-UHFFFAOYSA-N", "SMILES:Cl.N=C(NCc1ccco1)Nc1ccc2c(c1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWGODXWRCYFRB-UHFFFAOYSA-N", "SMILES:CCNc1ccc(/N=C(/N)NCc2ccco2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBABDPFUVYDFIL-UHFFFAOYSA-N", "SMILES:Cl.N=C(NCc1ccco1)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETMIJLWVYUCFF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=N)NCCO)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPIFNZRSPNWNQV-UHFFFAOYSA-N", "SMILES:Cl.N=C(NCCO)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLNZLROPVNOJS-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=N)Nc2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUSLDUEFHDZSA-UHFFFAOYSA-N", "SMILES:Cl.N=C(Nc1ccccc1)Nc1ccc2c(c1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZLPWSJSIXEENN-UHFFFAOYSA-N", "SMILES:CCCNC(=N)Nc1ccc(OCC)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRKIQDINEWMTDP-UHFFFAOYSA-N", "SMILES:CCCNC(=N)Nc1ccc(N(C)C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODURLPUYPXNJAO-UHFFFAOYSA-N", "SMILES:CCCNC(=N)Nc1ccc2c(c1)CCCC2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABVWODTBYCLMT-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=N)N)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGJVWVJTZWYPQ-UHFFFAOYSA-N", "SMILES:CC1CN/C(=N/c2ccc3c(c2)CCCC3)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIEWSIVPYWQCOP-UHFFFAOYSA-N", "SMILES:Cl.c1coc(C2CN/C(=N/c3ccc4c(c3)CCCC4)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPVUVKJUIYUPQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N=C2NCCN2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3299110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLPKYUYOHDXELN-RYUDHWBXSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CSCC(=O)OCCCCOC(=O)CBr)C(=O)NCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGIAOBCYZRGFF-KWCYVHTRSA-N", "SMILES:C=CCn1cnc2c1N=CN1C2=N[C@](C)(C(=O)O)[C@@H](O)[C@@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3299097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDOWWNIPKFDTJY-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCCNC(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3299093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBOUVOUANDQQO-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCNC(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAOAVLFVSAJCBE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(I)cc(I)c1O"]}
{"name": "Chitinase", "xref": ["CHEMBL.TARGET:CHEMBL1795119"], "id": "UniProtKB:Q25615", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6282"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRQEBOWHMWKIR-UHFFFAOYSA-N", "SMILES:COc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL287542", "category": ["biolink:ChemicalEntity"], "name": "RAFOXANIDE", "xref": ["InChIKey:NEMNPWINWMHUMR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O"], "synonym": ["Rafoxanide", "Rafoxanide", "Rafoxanida", "NSC-355278", "Rafoxanide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUHUYJVHOABGDI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(I)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZTONAZXDPRIPR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1cc(I)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2272783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRXOWFUCCMLJF-UHFFFAOYSA-N", "SMILES:C=C1C(=O)C(C)=C(C)C1(C)C"], "chembl_natural_product": true}
{"name": "Beta-secretase 1", "xref": ["CHEMBL.TARGET:CHEMBL3297642"], "id": "UniProtKB:G3IAK4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL537087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZWSEKMWHOSAC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c(=N)n(CC(O)c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVHAQIJCRZTCR-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDEBGIMNCASXLM-UHFFFAOYSA-N", "SMILES:Br.CCn1c2c(c(=N)c3c1CCC3)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRQWNGSEMNJXDW-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUQBAKVTWMUSZ-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(cc1OCC)C(c1cc(Cl)c(O)c(OCC)c1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMDDQXCWDHUJJW-UHFFFAOYSA-N", "SMILES:CCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYYQRZYUJWWEQF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)(CCC(C)C)C(CN2CCOCC2)c2ccc(Cl)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHPIZPRBUBXHK-UHFFFAOYSA-N", "SMILES:CC(O)(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRWIYJODTMGUFQ-UHFFFAOYSA-N", "SMILES:CCCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMSHBISGTIUFDO-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1CNC(=O)C1c2ccccc2C(=O)N(CC(C)C)C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL532141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFPPEIQRWSPQQB-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc(-c3ccc4oc5ccc(-c6[nH]c(-c7ccc(O)cc7)nc6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPYFZZYCDSJLZ-UHFFFAOYSA-N", "SMILES:CCCOCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZKUUDPGZLZUQT-UHFFFAOYSA-N", "SMILES:Cl.OC(CNCc1ccccc1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIWHEXAVANZGHK-UHFFFAOYSA-N", "SMILES:OC(CNC1CCCC1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFDLOQVUVBBATG-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHZLKBRFIAZMTN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDVTVTGXNHVZLJ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CNCC(O)c2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNVMJWXSJBTWTP-UHFFFAOYSA-N", "SMILES:CCOc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAPSRVPHLAGPM-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSIMQXGQNYOUGF-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZQBMINEPXWUBX-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nc(Nc3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKGUNQLVFEEBA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITUAKDIBCEXLI-UHFFFAOYSA-N", "SMILES:Cc1cc(NCCN2CCCCC2)c2ccc3ccccc3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL579105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTOCGJNJJGMVFB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc(F)c2)nc(NCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYENOBGPADGVLM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)OCN(Cc1ccccc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJISGNQAXNPOC-UHFFFAOYSA-N", "SMILES:Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL606159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKIPJLWVIZHGV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc(Br)c(OCC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWAVSGXBYFASKZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(-c2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL530149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXTQMJCEDQUJSJ-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)Nc3ccccc3)c(N)nc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDVLRAVLYMEEV-UHFFFAOYSA-N", "SMILES:CC(C)CCNCC(O)Cn1c2ccccc2c2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTCHTLFFVJUGP-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFLBDFBTHQVGNL-UHFFFAOYSA-N", "SMILES:c1ccc2cc3c(Nc4ccc(N5CCOCC5)cc4)ccnc3cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUSVINZSCTMHQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2ccc(Cl)cc2c1NCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFEMDLAFOZMSRW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(OCc3ccccc3)cc2)nc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVBRQUSBUXPGZ-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(N3CCCC3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFPGJACKHKXGBH-UHFFFAOYSA-N", "SMILES:COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL609628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHTAHEWNEKCZKN-UHFFFAOYSA-N", "SMILES:CCCCc1c(CCC)c(=N)c2ccccc2n1C.I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL586026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUSKKJAEDSKKNC-UHFFFAOYSA-N", "SMILES:CN1C=C(c2ccc3ccccc3n2)C(c2c[nH]c3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL529984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOMHXRIBMKQOG-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C)cc(Nc3cccc(O)c3)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZPJJOTGNAWKX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C(=O)Nc3cccc(OC)c3)c3ccccc3C(=O)N2C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMTZXCREJMUZHB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL608855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYHFXPFOLJRAD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C2CC3=Nc4ccccc4N(C(=O)c4ccccc4Cl)C(c4ccc(F)cc4)C3=C(O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL587892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFMFPKKYRXFHHZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOMKVIXUGVKOM-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL527730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIQFIHYYDCOLI-UHFFFAOYSA-N", "SMILES:COCCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL586962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCUDPYILJFKBKX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(C)c3sc(C(=O)NCCN4CCN(c5ccccc5F)CC4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL547269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGHVMEYBSUHIGF-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL581240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXCVEHRYSFGRQC-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C1CCN(Cc2cc(Br)ccc2O)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL535730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZXQPIFKYDBCE-UHFFFAOYSA-N", "SMILES:CCC1(C)CC(CCNCc2ccccc2O)(c2ccc(C)cc2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL534319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBPQPJPUDMPQL-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2c(NCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL528245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZKQFQMTVICWQB-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(CNC(=O)C3CCCCC3)c3ccc4c(c3)OCO4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL580516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVCMOXTVFYPAQP-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1CN1CCN(c2ccc(F)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPGDNMUJUZFSC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Cn2c(N3CCC(C(=O)NCc4cccs4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL588501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZUZHCKWZMMBI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2nc(N3CCC(C(=O)NCCCN4CCC(N5CCCCC5)CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL547488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNBRHOGRKHXNG-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNYCLRMTDRLPD-UHFFFAOYSA-N", "SMILES:Cl.Clc1cc(Br)ccc1-c1ccc(CNCC2CCNCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL546531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLLGJBMDQWSKR-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCC(N2CCCCC2)CC1)C1=Cc2cc(Br)ccc2OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL529348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNKPMCVRMVSIK-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL548338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVGOIOCGWFOMX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3c(C(=O)Nc4ccccc4Cl)c(-c4ccccc4)c4c3n2CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL581187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVUCEFFMTRFLDP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBSWNYUEVDLHHN-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBCKKPYRUUVQU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSVPBCCVMQLIL-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2cccc(F)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL579315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUOFLIYGLOGPNZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQRIOBWBSBXPN-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCc2ccc(Cl)cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1740701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQBRDVAYQUCUCM-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C)cc(Nc3ccccc3O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COULAVLDMWPPTB-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1CN1CCc2nc3cc(C(C)(C)C)nn3c(O)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVXWWBFSBXFBOS-UHFFFAOYSA-N", "SMILES:CCOc1c(Cl)cc(CNCC(O)c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOJAXOHWYZMMKZ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWUTBCALSFPJQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFMXQOVHCJUFX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGSFGFSFIHSWAC-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)NCC(O)COc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL580353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKLFKSABAIAQBR-UHFFFAOYSA-N", "SMILES:C=CC12CCN(CC1)C(C(O)c1ccnc3ccc(OC)cc13)C2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPIYNGWBBRUNGH-UHFFFAOYSA-N", "SMILES:CCc1ccc(CNCC(O)c2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL586033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJNJQDQWGRQWCD-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2ccccn2)c2cccc(Oc3ccccc3)c2)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMMNUXJBVYHKT-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)NCC(O)COc1ccc2c(c1)CCC2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKGNLEQTTOPKRJ-UHFFFAOYSA-N", "SMILES:CC1CC2=C(CC1CNCCCN(C)C)C(C)(C)CCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL586344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZGRMRMVUUYHG-UHFFFAOYSA-N", "SMILES:CCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL580159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CICSCGMRUIMBNF-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1CNc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDPIZPXVHVYTOK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL546168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUCXPDTWDLJRX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(C(F)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL548469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZVZSYKIWZHYQN-UHFFFAOYSA-N", "SMILES:Cl.Cn1c(=O)n(C)c2cc(CNCCNc3ccnc4cc(Cl)ccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL532525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFSFPKFVYKTCB-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(NC(=O)c2cccs2)cc1)C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL581194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOVJNIBQBDWFK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLOLNMUIJJFKF-UHFFFAOYSA-N", "SMILES:Cl.N=c1n(CCN2CCCCC2)c2ccccc2n1CC(O)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZBVFEBRVULVNU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)sc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXWENNHTOBFEW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3nncn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL531611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVUTDAMJFFBOB-UHFFFAOYSA-N", "SMILES:O=C(CCl)NCCOc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL529640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRBPWDQFAYRAI-UHFFFAOYSA-N", "SMILES:CCC(C)NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNENUMVAFKDMEM-UHFFFAOYSA-N", "SMILES:CCCCNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592105", "category": ["biolink:ChemicalEntity"], "name": "METHYLROSANILINE", "xref": ["InChIKey:QFVDKARCPMTZCS-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1"], "synonym": ["Methylrosaniline", "Crystal violet cation", "Gentian violet cation", "Methylrosanilinium", "Solvent violet 9", "MMV665941", "SJ000140980"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHVBSLSWEHZJFL-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGURZIJMUKKHV-UHFFFAOYSA-N", "SMILES:O=C(NCC1Cc2cccc(-c3ccncc3)c2O1)c1csc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNXTZYJOMPIHKM-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL580140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOQWCGMBXUJKJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(CNC2CCN(CCc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTBLMHUNNYYRFT-UHFFFAOYSA-N", "SMILES:OC1CCCCC1C1(NC(=S)Nc2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHVHASAWMAMQC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDDWQQMMYFXZHN-UHFFFAOYSA-N", "SMILES:COc1cccc(O)c1CN1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL533399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRALBAWWDRRPL-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCC(CN(C)Cc3cnn(-c4ccccc4)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL587923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJNNBMWUAKVOJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL533921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVQELHLBFVILT-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(F)c(F)c3)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLCOGORERKDZTI-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc3c(N)c4c(C)ccc(C)c4nc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEAAMXHMSWDAI-UHFFFAOYSA-N", "SMILES:CCCC(c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUJXWRSBKIISC-UHFFFAOYSA-N", "SMILES:COCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL532510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRONVFSLVQHAC-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)C(c1cccs1)N(CCc1ccccc1)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL545880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSMBCLFXHSESJ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccco1)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJKJYRQDTXRIM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccc(OC)c2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOPKSOBTIYZVAH-UHFFFAOYSA-N", "SMILES:C=C(C)CCC(C)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCYDMHHQHPMEJ-UHFFFAOYSA-N", "SMILES:Oc1ccccc1CN1CCC2(CCCN(Cc3ccccc3F)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZFTCMTEDATTQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)ON=C(N)Cc2cccc3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1237255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPSIRBXGBCWYRP-ZVHZXABRSA-N", "SMILES:COc1ccc(Nc2nc(N/N=C/c3ccc(O)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGSLBXHTZZQOT-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Cl)c2c1C1C=CCC1C(c1cccc3ccccc13)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1437888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZWPPUCJIAREL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2c3ccc4ccccc4c3Oc3ncn(CCCN(C)C)c(=N)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVXPISYSQXMSA-UHFFFAOYSA-N", "SMILES:CN(N=O)C1=C(NC2CCCCC2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3347393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHKBMNACOMRIAW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273386", "category": ["biolink:ChemicalEntity"], "name": "2,4-DINITROPHENOL", "xref": ["InChIKey:UFBJCMHMOXMLKC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1"], "synonym": ["2,4-dinitrophenol", ".alpha.-dinitrophenol", "2,4-dinitrophenol", "Aldifen", "Chemox", "Dinitrophenol", "Dinofan", "Fenoxyl carbon n", "Mitcal", "Mp-101", "Nitrophen", "Nitrophene", "MP-101", "NSC-1532", "SR-1C5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL107513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWEZBKLLMKVIPI-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3347427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLOLDQYWQAREW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQPAUNZYTYHKHA-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3347491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQKGQJZPWPRDM-DZKIICNBSA-N", "SMILES:C=C(C)C[C@@H]1N[C@H]2CC(C)(C)[C@@H]1c1c(Br)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1471698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXEAWBCDHQZUQK-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2ccccc2c1=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBOYVYBBAFDIGX-NDEPHWFRSA-N", "SMILES:O=C(NCCCCCCNc1c2c(nc3ccccc13)CCCC2)[C@@H]1Cc2c([nH]c3ccccc23)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRFFKHGZLNWNZ-UGKRXNSESA-N", "SMILES:C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/CN)[C@H](O)[C@@H](C)C1"], "chembl_natural_product": true}
{"name": "Threonine--tRNA ligase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3351186"], "id": "UniProtKB:Q9BW92", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1487662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRBLVCVSNVSPMT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C)c2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQICARSCVQQGJK-ZDUSSCGKSA-N", "SMILES:CCC[C@H](NC(=O)c1ccc(CCCc2cc3c(=O)[nH]c(N)nc3[nH]2)s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBARNPDPBYSBEF-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]c(CCCc3ccc(C(=O)NCCCC(=O)O)s3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBHIBYSTUVPRS-ZDUSSCGKSA-N", "SMILES:Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHCBXFJXATDOK-NSHDSACASA-N", "SMILES:Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDEDSYACCNIRFX-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]c(CCCc3ccc(C(=O)O)s3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZSMOOBQAUUEY-JHMNEMEQSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCOC[C@H]1O[C@@H](OCCCNC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJPOMSHSBQFLX-YSDKFKEISA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCOC[C@H]1O[C@@H](OCCCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOCIVXMWBPBAKU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)nnc1c3cccnc3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQNHUCFXHWOHSA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)nnn1c3ncccc3c(N=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOXXBSZMYVIBM-UHFFFAOYSA-N", "SMILES:COc1cc2nnn3c4ncccc4c(N=O)c3c2cc1OC"]}
{"name": "Sodium-dependent neutral amino acid transporter B(0)AT2", "xref": ["CHEMBL.TARGET:CHEMBL3351189"], "id": "UniProtKB:Q9H2J7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXLESKWTIMDEL-XXSYQHFYSA-N", "SMILES:CCCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(CC[C@H]4[C@@H](/C=C(\\C)C(=O)[C@@]2(OC(C)=O)C[C@@H]1C)C4(C)C)CO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3354748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWZRPMGMXIIIOC-QBBSFLMLSA-N", "SMILES:CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H](CC[C@]13CO3)C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3343351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRBRVKSFNQZLS-UHFFFAOYSA-N", "SMILES:c1c2c(cc3c4n(nc13)CCCO4)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1885837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDSSYOZEQFVSDT-UHFFFAOYSA-N", "SMILES:c1ccc2c3n(nc2c1)CCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2141595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFDUJYBGFGFBLY-UHFFFAOYSA-N", "SMILES:CC1COc2c3ccccc3nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3144791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXPAKOUDBFTPRL-UHFFFAOYSA-N", "SMILES:CCCCn1[nH]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3145355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIMAECNFJCQOPQ-UHFFFAOYSA-N", "SMILES:CC(C)n1[nH]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGMFBUXZQLNLJF-UHFFFAOYSA-N", "SMILES:CCCCn1nc2ccccc2c1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKVCKNQZYLXMOY-UHFFFAOYSA-N", "SMILES:CCCCn1nc2ccccc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOMKKKYJOZSSJ-UHFFFAOYSA-N", "SMILES:COc1c2cc3c(cc2nn1C(C)C)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOPABPHLJBFZSA-UHFFFAOYSA-N", "SMILES:CCOc1c2ccccc2nn1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPIKBGASUUCZEW-UHFFFAOYSA-N", "SMILES:COc1c2ccccc2nn1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEKXMHCDUFNRO-UHFFFAOYSA-N", "SMILES:c1c2c(cc3c4n(nc13)CCCS4)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVYAAGZKTIROGV-UHFFFAOYSA-N", "SMILES:c1ccc2c3n(nc2c1)CCCS3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXVOMMOWFNETA-UHFFFAOYSA-N", "SMILES:c1c2c(cc3c4n(nc13)CCS4)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSKICCHAGXIDGF-UHFFFAOYSA-N", "SMILES:c1ccc2c3n(nc2c1)CCS3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHDOVLHZVPDCB-UHFFFAOYSA-N", "SMILES:COc1nc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHJHZKKCKDGCX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2sc(-c3ccc(Cl)cc3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJWONVAQZMDCG-WJDWOHSUSA-N", "SMILES:COc1ccc(/C=C2\\SC(c3ccc(C)cc3)=NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242341", "category": ["biolink:ChemicalEntity"], "name": "FORMONONETIN", "xref": ["InChIKey:HKQYGTCOTHHOMP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1"], "synonym": ["Formononetin", "7-hydroxy-4'-methoxyisoflavone", "Biochanin b", "Flavosil", "Formononetin", "Formononetol", "Myconate", "Mycotech", "Neochanin", "NSC-93360", "Formononetin"], "chembl_natural_product": true}
{"name": "Gamma-butyrobetaine dioxygenase", "xref": ["CHEMBL.TARGET:CHEMBL2163175"], "id": "UniProtKB:O75936", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39469", "category": ["biolink:ChemicalEntity"], "name": "BENZENE SELENOIC ACID", "xref": ["InChIKey:WIHKGDVGLJJAMC-UHFFFAOYSA-N", "SMILES:O=[Se](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCEFEIBEOBPPSJ-UHFFFAOYSA-N", "SMILES:Br[Se]c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCXADMLESSGRI-UHFFFAOYSA-N", "SMILES:Cl[Se]c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51085", "category": ["biolink:ChemicalEntity"], "name": "EBSELEN", "xref": ["InChIKey:DYEFUKCXAQOFHX-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1ccccc1"], "synonym": ["Ebselen", "Ebselene", "Ebseleno", "Ebselen", "Ebselen", "Ebselen", "DR-3305", "DR3305", "NSC-639762", "NSC-757883", "SPI-1005"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL120563", "category": ["biolink:ChemicalEntity"], "name": "THIRAM", "xref": ["InChIKey:KUAZQDVKQLNFPE-UHFFFAOYSA-N", "SMILES:CN(C)C(=S)SSC(=S)N(C)C"], "synonym": ["Thiram", "Thiram", "Thirame", "Tiramo", "NSC-1771", "NSC-49512", "NSC-59637", "NSC-622696", "SQ 1489", "SQ-1489", "Rezifilm", "Thiram"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3122204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWWZCHLUQSHMCL-UHFFFAOYSA-N", "SMILES:c1ccc([Se][Se]c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUVIBICSCQYQOE-UHFFFAOYSA-N", "SMILES:O[Se]c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDLABPAQQVOWQC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKYICHRRQLZBCC-QREUMGABSA-N", "SMILES:CCN(CC)CCO/N=C(\\c1ccc(SC)cc1)c1cccc2ccccc12.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3338509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNMYDTDIADLNLJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2cc3oc(SCCCN4CCCCC4)nc3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3338507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQCVJQWBYHYOCQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCSc1nc2cc3c(cc2o1)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAWSUKOIROHXAP-NPMXOYFQSA-N", "SMILES:CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUDQKCSQNXKKSL-IJJRWSRZSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZIXJSRDMHBKBB-KRVSLDENSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](C)C(=O)NCc1ccccc1)N(C)C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYQVMJRYKYKJF-QHIUFYHGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](C)C(=O)NCc1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYQVMJRYKYKJF-LGWHEPRFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)N(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](C)C(=O)NCc1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFFLBCSIHCMNEM-LMZUPGNCSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)C1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXSXQFEQQSLGX-ZKIFXGEKSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C(C)C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONGGZNUYYEBLM-AJMNPPISSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJRDKJOMKTMMK-JIQKKVDDSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYLARFCKPNSSDA-XPVMCESESA-N", "SMILES:CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]1O[C@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKYWIHLMGRDQA-UHFFFAOYSA-N", "SMILES:O=Cc1cc(-c2ccc3cc(O)ccc3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGQMVMXCAVBMM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3cc(O)ccc3c2)cc(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLRHJAFILBDEBV-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccc3cc(O)ccc3c2)cc([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3344329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COKUNOIWJOBRKD-QUMQEAAQSA-N", "SMILES:COc1cc(/C=C/C(=O)N2C(=O)C=CCC2/C=C/c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRLBIJDBLKVQJ-CJCRHJRRSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CN(C)C)[C@H](OC(=O)CN(C)C)c1ccc([N+](=O)[O-])cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKXYXAMSXRKDL-ITTCRWFKSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CN(C)C)[C@H](O)c1ccc([N+](=O)[O-])cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHWJLUSHABDYMR-ITTCRWFKSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](OC(=O)CN(C)C)c1ccc([N+](=O)[O-])cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105528", "category": ["biolink:ChemicalEntity"], "name": "BISFENAZONE", "xref": ["InChIKey:JPKRUWRMHGVJCV-UHFFFAOYSA-N", "SMILES:Cc1c(NCc2c(C(C)C)c(=O)n(-c3ccccc3)n2C)c(=O)n(-c2ccccc2)n1C"], "synonym": ["Bisfenazone", "Bisfenazona"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFFDYWHCCDSBO-UHFFFAOYSA-N", "SMILES:Oc1ccc2cc(-c3ccc(O)c(O)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUUPRDHIBYCYKP-UHFFFAOYSA-N", "SMILES:OCc1cc(-c2ccc3cc(O)ccc3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXQHLXMTNALZRB-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(O)c(-c2ccc3cc(O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYVBSVDYHIIOLM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(O)c(-c2ccc3cc(O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKWNZCUHONOZLY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2ccc3cc(O)ccc3c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBZVWIVJKIRXLB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C)c(-c2ccc3cc(O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYURPDHQUSHGRM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3cc(O)ccc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPVEABGEHCTBZ-UHFFFAOYSA-N", "SMILES:OCCc1cc(-c2ccc3cc(O)ccc3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJPCNCJXKOTND-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C)c(-c2ccc3cc(OC)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODCZKPZNRXDMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)O)c(-c2ccc3cc(O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSKAWWXZFDBDK-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3cc(C(C)=O)c(O)c([N+](=O)[O-])c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIZBIHDCWGVUGP-QJHQUMTCSA-N", "SMILES:CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@H]2O[C@H](COP(=O)(O)O)[C@@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](O)[C@@H]2OC)O[C@H](CO)[C@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBFZOHZYCQKSC-WWANDTCUSA-N", "SMILES:CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@H]2O[C@H](COP(=O)(O)O)[C@@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H](O)[C@@H]2OC)O[C@H](CO)[C@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRIHFZJVIOJBE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2B(O)O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOTDNJDIGBWICX-UHFFFAOYSA-N", "SMILES:N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1275969", "category": ["biolink:ChemicalEntity"], "name": "ALPHA-THUJAPLICIN", "xref": ["InChIKey:TUFYVOCKVJOUIR-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc(=O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3344471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEMUGFRERPPUHB-LBPRGKRZSA-N", "SMILES:Nc1ccc(Cl)cc1[C@@](O)(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3344472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEMUGFRERPPUHB-GFCCVEGCSA-N", "SMILES:Nc1ccc(Cl)cc1[C@](O)(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418052", "category": ["biolink:ChemicalEntity"], "name": "S-ADENOSYLHOMOCYSTEINE", "xref": ["InChIKey:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"name": "DNA (cytosine-5)-methyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL3351195"], "id": "UniProtKB:P13864", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Alkaline ceramidase 1", "xref": ["CHEMBL.TARGET:CHEMBL3351194"], "id": "UniProtKB:Q8TDN7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWOBXIQFDYTRF-OAGGEKHMSA-N", "SMILES:C[C@@H]1CN(C)CC[C@@H]1c1cc2c(cc1-c1ccccc1F)OCC1=NNC(=O)[C@@H](C)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWOBXIQFDYTRF-ARFHVFGLSA-N", "SMILES:C[C@@H]1C(=O)NN=C2COc3cc(-c4ccccc4F)c([C@@H]4CCN(C)C[C@@H]4C)cc3N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLHCDKCSCFZGGI-GVDBMIGSSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2[C@@H]2CCN(C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYDKAYRDAFQMFD-ZMSDIMECSA-N", "SMILES:COc1ccc(-c2cc3c(cc2[C@@H]2CCN(C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFVHIQITBVUBIW-OAMFAHAWSA-N", "SMILES:CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXXNJIWUNMRGN-QEUDVCQDSA-N", "SMILES:C=CC[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSC(=O)CCCCCCC)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMIGWECSZMISCA-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWVMARQEAOIQU-UHFFFAOYSA-N", "SMILES:CC1=C(O)CC(Cc2cccc3c2CCC(NS(=O)(=O)c2ccc(Cl)cc2)C3)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWMYVOPYHFCEOO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(O)CC(Cc3cccc4c3CCC(NS(=O)(=O)c3ccc(Cl)cc3)C4)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADNEJGLKFDCFU-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3c2CCC(NS(=O)(=O)c2ccc(Cl)cc2)C3)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHNCVXKIMUWTH-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3c2CCCC3)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGRAPFFXIAIYEB-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHQGHWHPDAWUIA-UHFFFAOYSA-N", "SMILES:O=C1C(C2CCCCC2)=C(O)CC1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGMGXRMNVQDPS-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccccc2)=C(O)CC1Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZNLTDMKSNAPOC-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(F)cc2)=C(O)CC1Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISWQQVGNDSUFN-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccccc2)=C(O)CC1Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOUUOCFBJPMGV-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccccc2)=C(O)CC1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKOGGLYESDINJP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOPCHOOHZIDKC-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGRSXMWWGUOTAO-VIEJTCJKSA-N", "SMILES:C/C=C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O"], "chembl_natural_product": true}
{"name": "ATP-dependent Clp protease proteolytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL3341578"], "id": "UniProtKB:P0A6G7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMDXSUFDIAGURI-YTFXDNJKSA-N", "SMILES:C/C=C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3342327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFTVDYJZMXDZLD-VOSAYKKMSA-N", "SMILES:CCC/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1774309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUIYLWURGZBJB-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2cccc(CN(C)c3cc(C(=O)O)nc4cc(Cl)cc(Cl)c34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNBZGGYWSRGVBG-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCn2c(C)c(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZGCYCFYKRHAI-OVVQPSECSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2C1c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXHMCHMAVOSQR-UHFFFAOYSA-N", "SMILES:Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPJLRXDYJBLIMX-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGWVYRXAQEKEX-MHWRWJLKSA-N", "SMILES:CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVGFPTYGKPLXPK-QPFJIASXSA-N", "SMILES:COc1c2c(cc3oc(C)cc(=O)c13)OC(C(C)(C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2"], "chembl_natural_product": true}
{"name": "14-3-3 protein epsilon", "xref": ["CHEMBL.TARGET:CHEMBL3329082"], "id": "UniProtKB:P62258", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3337758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJYGVJJHEVMGBN-CYBMUJFWSA-N", "SMILES:CCCC[S@@+]([O-])CCCCN=C=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3337757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJAHCEDKAOGQHF-LLVKDONJSA-N", "SMILES:CC[S@@+]([O-])CCCCN=C=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3337756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQZVZULJKVALRI-LBPRGKRZSA-N", "SMILES:C[S@+]([O-])CCCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3337755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQZVZULJKVALRI-GFCCVEGCSA-N", "SMILES:C[S@@+]([O-])CCCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3337754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUUQPVQTAUKPPB-NSHDSACASA-N", "SMILES:C[S@+]([O-])CCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3337753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUUQPVQTAUKPPB-LLVKDONJSA-N", "SMILES:C[S@@+]([O-])CCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3342380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMBMJRQLAVCGX-XUTJKUGGSA-N", "SMILES:O=S(=O)(NC[C@H]1CC[C@H](CNc2cc(-c3ccccn3)nc(NCC3CC3)n2)CC1)c1ccc(F)cc1"]}
{"name": "G-protein coupled receptor 39", "xref": ["CHEMBL.TARGET:CHEMBL3091266"], "id": "UniProtKB:O43194", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWJJOYYZFELEZ-FFYOZGDPSA-N", "SMILES:O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3359354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNXVLUSGAZGJK-ZWZRWJRUSA-N", "SMILES:CC(C)C1(CC[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3359355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHMKHNCVMMQCQ-YGBPDJJZSA-N", "SMILES:COC(CO)(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3359356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXYNTJQRYPFIJD-CHIINMNOSA-N", "SMILES:C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL225869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGSJIIKMZFWSP-XLWCLXEDSA-N", "SMILES:CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1770735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYFWFHTABURGB-UHFFFAOYSA-N", "SMILES:NCc1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWWQVDSQWYRIV-UHFFFAOYSA-N", "SMILES:O=Cc1cc2cnccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVSKUUMKOLSXHM-UHFFFAOYSA-N", "SMILES:O=Cc1cc2ccncc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRNXLYAXYIHHHH-UHFFFAOYSA-N", "SMILES:NCc1csc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKHVKIIMXLUFHI-UHFFFAOYSA-N", "SMILES:CNCc1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVYWOASQESEKEC-UHFFFAOYSA-N", "SMILES:NCc1csc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHRWAPVYHRAJA-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2sccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPZMIAZMPWLHW-UHFFFAOYSA-N", "SMILES:NCc1cc2cnccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZFBTQKLAMCOQG-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cc2cnccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRLQDHIBSGMYGV-UHFFFAOYSA-N", "SMILES:CNCc1cc2cnccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFQWFNNJCRAEH-UHFFFAOYSA-N", "SMILES:CNCc1cc2cccnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHFZJLPKQUYAH-UHFFFAOYSA-N", "SMILES:Cc1ccc2sc(C=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWJXEBBSYBELI-UHFFFAOYSA-N", "SMILES:NCc1cc2ccncc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTFIPDYOABDPU-UHFFFAOYSA-N", "SMILES:NC(=S)c1csc2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSVAOKEXMFMIO-UHFFFAOYSA-N", "SMILES:O=Cc1cccc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHKSQTXXZQEBH-UHFFFAOYSA-N", "SMILES:OCc1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYGMKSKKGSUAHB-UHFFFAOYSA-N", "SMILES:OCc1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXWOPXJSURXXCM-UHFFFAOYSA-N", "SMILES:N#Cc1csc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTPXNKOVUOJIKL-UHFFFAOYSA-N", "SMILES:N#CCc1csc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDQVEPXORTQFO-UHFFFAOYSA-N", "SMILES:Cc1csc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZUEEUKBYCSEY-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2[nH]ccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3358224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVDZBIBWGQOTI-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(C=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPBWOAEHQDXRD-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWVFZFZYXOBTA-UHFFFAOYSA-N", "SMILES:Brc1ccc2[nH]ccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3358226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGAKKGIWURKKHV-UHFFFAOYSA-N", "SMILES:Cn1ccc2ccc(C=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPAFHZDRYAWZOB-UHFFFAOYSA-N", "SMILES:O=Cc1c[nH]c2cccc(Br)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQULCCZIXYRBSE-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(N)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCCLQCBKBPTODV-UHFFFAOYSA-N", "SMILES:O=Cc1c[nH]c2cc(Br)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL147741", "category": ["biolink:ChemicalEntity"], "name": "3-FORMYLINDOLE", "xref": ["InChIKey:OLNJUISKUQQNIM-UHFFFAOYSA-N", "SMILES:O=Cc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3358270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTLKNOARSHUJB-ZJSXRUAMSA-N", "SMILES:CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(OC(F)(F)F)c3)nc2)C(=O)N[C@@H]2CCNC2)sc1C"]}
{"name": "Kinesin-like protein KIFC1", "xref": ["CHEMBL.TARGET:CHEMBL3351200"], "id": "UniProtKB:Q9BW19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452867", "category": ["biolink:ChemicalEntity"], "name": "RIBOPRINE", "xref": ["InChIKey:USVMJSALORZVDV-SDBHATRESA-N", "SMILES:CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "synonym": ["Riboprine", "Riboprina", "N6-(2-isopentenyl)-adenosine", "N6-isopentenyladenosine", "IPA", "NSC-105546", "Riboprine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3335608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQJTSGOOHGTKQ-MERQFXBCSA-N", "SMILES:Cl.O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@H]3CCNC3)c1c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQJTSGOOHGTKQ-RFVHGSKJSA-N", "SMILES:Cl.O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@@H]3CCNC3)c1c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPFFBDMIUNIIX-MERQFXBCSA-N", "SMILES:Cl.N[C@H]1CCN(Cc2c[nH]c3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPFFBDMIUNIIX-RFVHGSKJSA-N", "SMILES:Cl.N[C@@H]1CCN(Cc2c[nH]c3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPVZJWIIMEMPE-UHFFFAOYSA-N", "SMILES:CCCNCCCn1c2c(c3cc(OC)c(OC)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANCWCJFYCNNXDR-QYVSTXNMSA-N", "SMILES:C#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGUEDSDNOZFIS-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1c(O)c(OC)cc2c1oc(=O)c1c2c(-c2ccc(O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKSFVBCOVNMYNQ-UHFFFAOYSA-N", "SMILES:CCCN(CCC)Cc1c(O)c(OC)cc2c1oc(=O)c1c2c(-c2ccc(O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUOEPOIFKGZOT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c3c4cc(OC)c(O)c(CN5CCCCC5)c4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBFCTJKNMSUCW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c3c4cc(OC)c(O)c(CN5CCOCC5)c4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLLXADEERIILA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(CN(C)C)c(O)c(OC)cc4c23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPHBJRVUEBAFLN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(CN5CCCCC5)c(O)c(OC)cc4c23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVXNZGLVQKSHOT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(CN5CCOCC5)c(O)c(OC)cc4c23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOKNZMXKMGVOQY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c3c4cc(OC)c(O)c(CN(C)C)c4oc(=O)c3n3ccc4c(CN(C)C)c(O)c(OC)cc4c23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNTYGIRTMAQNW-UHFFFAOYSA-N", "SMILES:CCCN(CCC)Cc1c(O)c(OC)cc2c1oc(=O)c1c2c(-c2ccc(O)c(OC)c2)c2c3cc(OC)c(O)c(CN(C)C)c3ccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHLVHKTXINGVSH-SDBHATRESA-N", "SMILES:Nc1ncnc2c1c(-c1ccco1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUFPPKYABJIKC-AKAIJSEGSA-N", "SMILES:Nc1ncnc2c1c(-c1nccs1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJKXFKLNQMNRE-WVSUBDOOSA-N", "SMILES:CC(C)c1cccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNJXCNASIFLIS-CKIDLJBISA-N", "SMILES:Nc1ncnc2c1c(-c1cccc3c1Oc1ccccc1S3)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAXWQAVOSJXPIM-KRWDZBQOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1coc(C(c2ccccc2)c2ccccc2)n1)C(=O)O"]}
{"name": "C3a anaphylatoxin chemotactic receptor", "xref": ["CHEMBL.TARGET:CHEMBL4761"], "id": "UniProtKB:Q16581", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWJSDKSYBXGJG-SFHVURJKSA-N", "SMILES:Cc1oc(C(c2ccccc2)c2ccccc2)nc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UANDETWCBXEHNT-HPSWDUTRSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKKJYBCPXAJAO-IBGZPJMESA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBOIZXPIAOMAX-SFHVURJKSA-N", "SMILES:Cc1[nH]c(C(c2ccccc2)c2ccccc2)nc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXAIPMNZUHIOOZ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3337846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIXUMWAIYCKDQQ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3337845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVVVOLSRHWJCHV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPKBDATQCZIDX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXZOHBBSSIEDDY-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)NCc1ccc(Cl)c(-c2nc3cc(-c4ccc(C(F)(F)F)cc4)ncc3c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMDINRNYYEDRN-SPNOHOMGSA-N", "SMILES:Oc1ccc([125I])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCEPAGMKRSAQJJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIFFFYPXJYKJJY-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVBMJHDFWYMTL-UHFFFAOYSA-N", "SMILES:C#CCOC(=O)c1ccc(O)c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1"]}
{"name": "Malate dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5917"], "id": "UniProtKB:P40926", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGLAFTPYZYIWFY-UHFFFAOYSA-N", "SMILES:C#CCOC(=O)c1ccc(O)c(NC(=O)COc2ccc(C34CC5CC(CC(C(=O)OCc6ccc(C7(C(F)(F)F)N=N7)cc6)(C5)C3)C4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNITYDUDLYKRD-UHFFFAOYSA-N", "SMILES:C#CCOC(=O)c1ccc(O)c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2C2(C(F)(F)F)N=N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJRPPNOJYFZSLY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(O)c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNJCPSJSYBCFC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc3nc(N)[nH]c(=O)c3[nH]2)cc1"]}
{"name": "2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase", "synonym": ["2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase"], "xref": ["CHEMBL.TARGET:CHEMBL3559681"], "id": "UniProtKB:X5EH84", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGRGYMFJBSRKHI-UHFFFAOYSA-M", "SMILES:COc1cc2occ(C(=O)OC(C)(C)C)c2cc1OCc1nc2ccc(OS(=O)(=O)[O-])cc2s1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1977368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGCKUPKNSSPER-UHFFFAOYSA-N", "SMILES:OC(Cn1cncn1)(Cn1cncn1)c1ccc(Cl)cc1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3354201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXRWQYUVIAKSB-UHFFFAOYSA-N", "SMILES:O=C1CC(CCc2cccnc2)Oc2c(Br)cc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPCVYFSZCSQJDI-UHFFFAOYSA-N", "SMILES:Cc1noc(CCC2CC(=O)c3cc(Cl)cc(Br)c3O2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SICRPGFNFVPIKM-ZHACJKMWSA-N", "SMILES:COc1ccccc1N1CCN(C(=O)/C=C/c2noc(-c3cc(Cl)c(O)cc3O)c2-c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDATBOHQWOJDD-JGFDLHJZSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3342072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMGRWLMOTCBQRO-LEMFEUBSSA-M", "SMILES:C[C@H](CCCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKZOALSUSRGOPP-RUMGMUECSA-M", "SMILES:C[C@H](CCCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAZUFHPGVCDDW-QXKARQELSA-N", "SMILES:C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVMCMMXFADJQKU-MMSVWBHPSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3342081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBAHTQWQZRMFH-JDCMAIOWSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFXBFKCPBYYBP-TWPJQBFCSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYCMOIGNYNCMRH-APIYUPOTSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOISHEZGSCKLDU-APIYUPOTSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC#N)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBAHTQWQZRMFH-CRPAWOMZSA-N", "SMILES:CC[C@@H]1[C@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKJUVZPJQAOMAK-UHFFFAOYSA-N", "SMILES:CCCCCCCc1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKDRSXPJOVURG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3ccccc3Br)oc3cc(O)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133714", "category": ["biolink:ChemicalEntity"], "name": "BENZYL CAFFEATE", "xref": ["InChIKey:WWVKQTNONPWVEL-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1976696", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROGUAIARETIC ACID", "xref": ["InChIKey:ADFOLUXMYYCTRR-UHFFFAOYSA-N", "SMILES:COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL17347", "category": ["biolink:ChemicalEntity"], "name": "ETHYL CAFFEATE", "xref": ["InChIKey:WDKYDMULARNCIS-GQCTYLIASA-N", "SMILES:CCOC(=O)/C=C/c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL442022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQNYPBIOHVQQN-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2ccccc2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3359765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUIRELLQQZNEL-JPYSFOGZSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1N)C(C)C)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"name": "Myeloblastin", "xref": ["CHEMBL.TARGET:CHEMBL3900"], "id": "UniProtKB:P24158", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBVYUKPZLKCBE-JVFLMYLLSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1N)C(C)C)C(=O)C[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SILQRZRHIDZJBP-WJOKGBTCSA-N", "SMILES:O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZAZOESGGZBYBH-SSEXGKCCSA-N", "SMILES:O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(N2CCN(c3ccc(Cl)cc3Cl)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDAHHRBMJDBEQG-WJOKGBTCSA-N", "SMILES:O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBWFRWUOSLTMP-SSEXGKCCSA-N", "SMILES:O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(N2CCN(c3ccccc3Cl)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCBULGQMULJTCM-RIYZIHGNSA-N", "SMILES:O=C1/C(=C\\c2ccc(O)c(O)c2)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQDRVWQAEFRUEQ-ZFEXEXADSA-N", "SMILES:CCC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@]2(C)[C@@H](C(C)=O)CC[C@@]23O[C@]32CC[C@H]3CC(=O)CC[C@]3(C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2297684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMANELLSWUVZNL-XVNBXDOJSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3343705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVFZVKAWAKSPH-RCCKNPSSSA-N", "SMILES:COc1cc2c(cc1OCCN1CCCCC1)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCRRHQFNENGKGX-CJLVFECKSA-N", "SMILES:COc1cc2c(cc1OCCCN1CCCCC1)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNTIUJCQERWHJZ-HKOYGPOVSA-N", "SMILES:COc1cc2c(cc1OCCCCCN1CCCCC1)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBANLJZWKHSELJ-HAVVHWLPSA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHHSMMZQLGNLB-HKOYGPOVSA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\Cc3cc(OC)c(OCCCN4CCCCC4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFYDBTNUDKERKT-LHLOQNFPSA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\Cc3cc(OC)c(OCCCCCN4CCCCC4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXXPDPCCMADTA-XSFVSMFZSA-N", "SMILES:CNc1ccc(/C=C2\\Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKUWSQYNLPXOD-CJLVFECKSA-N", "SMILES:CCN(C)c1ccc(/C=C2\\Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYRKWCXRBPLLK-HAVVHWLPSA-N", "SMILES:CCCN(C)c1ccc(/C=C2\\Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAFVKDYWFYNONU-NCELDCMTSA-N", "SMILES:CCCN(CCC)c1ccc(/C=C2\\Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZCGXZBXJSJTIU-RCCKNPSSSA-N", "SMILES:COc1cc2c(cc1OCCNC1CCCCC1)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOPGRWAWBIVWFV-CJLVFECKSA-N", "SMILES:COc1cc2c(cc1OCCCNC1CCCCC1)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUCQFSSTZGTFRV-HAVVHWLPSA-N", "SMILES:COc1cc2c(cc1OCCCCNC1CCCCC1)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNEYELCHZOTOGS-XSFVSMFZSA-N", "SMILES:COc1ccc(/C=C2\\Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502", "category": ["biolink:ChemicalEntity"], "name": "DONEPEZIL", "xref": ["InChIKey:ADEBPBSSDYVVLD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2"], "synonym": ["Donepezil", "Donepezil", "Donepezil", "Donepezilo", "Donepezil", "D-797", "Donaz", "Donepezil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3355197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNJRMUPPBRUMG-OEGYHRNRSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)CN)C/C=C/C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNJRMUPPBRUMG-XPUURIDESA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)CN)C/C=C\\C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVXPBTKDVIMQPO-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWGHSHQYHMIOP-GVARAGBVSA-N", "SMILES:CC1=C[C@]2(C(C)(C)O)C[C@]3(OC2=O)[C@@H](C)CC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBHSANQPJBCEE-UHFFFAOYSA-N", "SMILES:Nc1nccc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)c1NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHACFLHDOUERTJ-UHFFFAOYSA-N", "SMILES:Nc1c(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccnc1NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCDKWJMFHDDGCS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIZOQSOPJDPFMB-SAABIXHNSA-N", "SMILES:[N-]=[N+]=Nc1cccc(-c2cc(-c3ccccc3)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLRJLCUWKFQIFT-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCN1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAIWZTHCSZUWAW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZUPGPUKEVVBBE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCN1C(=O)c2ccccc2S1(=O)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3361260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRCMYGBYIZWAO-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCN(CCO)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXEOMMSMNXSUPA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN1C(=O)c2ccccc2S1(=O)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3360756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJWAPCSQEWUZAE-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310671", "category": ["biolink:ChemicalEntity"], "name": "SACCHARIN", "xref": ["InChIKey:CVHZOJJKTDOEJC-UHFFFAOYSA-N", "SMILES:O=C1NS(=O)(=O)c2ccccc21"], "synonym": ["E954", "Saccharin", "Saccharin", "Saccharin", "Saccharinum", "E-954(I)", "INS NO.954(I)", "INS-954(I)", "NSC-5349", "Saccharin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFGGXNLZUSHHS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCMLQMDWSXFTIF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1S(N)(=O)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL282157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKKYJLAUWFPDB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFQEZBRFPAFEX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(N)(=O)=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3361279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFZSOHSBXCDVRM-UHFFFAOYSA-N", "SMILES:O=C(NCCCCNC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMKKXJGHGKNNBC-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)NCCNc1cccc2ccccc12)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSJPSJRSCFLQB-UHFFFAOYSA-N", "SMILES:Cl.O=S(=O)(CCCNCCc1c[nH]c2ccccc12)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZVLTDNILNMILR-UHFFFAOYSA-N", "SMILES:Cl.O=S(=O)(CCCN(CCO)CCO)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFYLLOUXOUNYEN-UHFFFAOYSA-N", "SMILES:CC(C(O)c1ccccc1)N(C)CCCS(=O)(=O)NCCNc1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAOGXILLDLROHQ-UHFFFAOYSA-N", "SMILES:Cl.O=S(=O)(CCCN1CCN(c2ncccn2)CC1)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNSIOPNMBRHSC-UHFFFAOYSA-N", "SMILES:CC(NCCCS(=O)(=O)NCCNc1cccc2ccccc12)c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSAMZRQJZKYPSO-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCCN1CCOCC1)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEQVJCZOBRKRI-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCCN1CCN(c2ccccn2)CC1)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAOHZCLCGMZSBZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCCN1CCN(c2ccccc2)CC1)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEFQFZAHGAWHAQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCCCl)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPWBECFAJPVZBZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCCN1CCC(c2ccccc2)CC1)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDZGHXDOHQAPLT-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCCN1CCC(Cc2ccccc2)CC1)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPLHOCSIKGJWTP-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCCN1CCN(Cc2ccccc2)CC1)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSDJKJXVRTERE-UHFFFAOYSA-N", "SMILES:Cl.O=S(=O)(CCCN1CCC(O)CC1)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNCVRPODNJFKQ-UHFFFAOYSA-N", "SMILES:Cl.O=S(=O)(CCCNCCNc1cccc2ccccc12)NCCNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361362", "category": ["biolink:ChemicalEntity"], "name": "SYRINGARESINOL", "xref": ["InChIKey:KOWMJRJXZMEZLD-HCIHMXRSSA-N", "SMILES:COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3353752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFGSXBNMHOHRLU-DEOSSOPVSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CSC(C)C)c(O)ccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIRDLXXCTGMHAG-BVHINDKJSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c4c(ccc3nc2-1)OC(O)CC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJNCMXEQXBCBI-CYBMUJFWSA-N", "SMILES:C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3352844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVKRWPUIMOGDT-CYBMUJFWSA-N", "SMILES:C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPHMGCXSJLCMP-ZIAGYGMSSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)cc2c1ncn2[C@@H](C)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WADXCMSONJVPKX-LTBIHHBXSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFRXYFZGCTTDG-OTGJNIAMSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOWCMHUPUQQEP-KIRGPYDBSA-N", "SMILES:N.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](O)[C@H]1O"]}
{"name": "Biotin--protein ligase", "xref": ["CHEMBL.TARGET:CHEMBL2062354"], "id": "UniProtKB:P50747", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUXRSQALOCSGI-HCEPLCLSSA-N", "SMILES:N.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CC(O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBOGUFFJCBPJEH-SQGSUPJISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3357858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRDULWSAIVBHP-DDZFEBCKSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCCCCO[C@@H]3c5cc6c(cc5[C@@H](c5cc(OC)c(O)c(OC)c5)[C@H]5C(=O)OC[C@@H]53)OCO6)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRCDZHVOVVJZJA-XPNNUBAUSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCCCCCCO[C@@H]3c5cc6c(cc5[C@@H](c5cc(OC)c(O)c(OC)c5)[C@H]5C(=O)OC[C@@H]53)OCO6)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKNFGWTLRVUAB-OZXUDFCUSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCc3ccc(CO[C@@H]5c6cc7c(cc6[C@@H](c6cc(OC)c(O)c(OC)c6)[C@H]6C(=O)OC[C@@H]65)OCO7)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTPCQKAJFGYWHJ-JNTAVDMJSA-N", "SMILES:CCCCO[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOCHUCROFNDHT-DLTDCEFJSA-N", "SMILES:CCCCCCO[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGUURCOTGWXEK-AIXNUKSASA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCc3ccccc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCEODKGDWMHPLW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)NNC(=O)C1Sc2ccccc2N(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPNFCQQTMYDPS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)NNC(=O)C1Sc2ccccc2N(CC)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSJDASOXWCHPN-UHFFFAOYSA-N", "SMILES:Cn1sc(=O)n(Cc2ccccc2)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3360190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBBNKZXPXCEKG-IJWDBEHRSA-N", "SMILES:C=C1CC/C=C/CC[C@@H]2[C@@H]1CC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3327225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBMWPBPZFBGQW-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1977874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWODCHXORCTEGU-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXOPWKOYAZDWRQ-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(NC(=O)[C@](O)(Cc2ccccc2)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHMERGPDZMQSM-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(NC(=O)[C@](O)(Cc2ccc(F)cc2)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYAVORBTNCYOTP-NRFANRHFSA-N", "SMILES:N#Cc1ccc(NC(=O)[C@](O)(Cc2cccs2)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXNBDFGZVUWMH-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(NC(=O)[C@](O)(Cc2ccc(C(F)(F)F)cc2)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBNRGUHBWOUOQP-MHZLTWQESA-N", "SMILES:N#Cc1ccc(NC(=O)[C@](O)(Cc2ccc3ccccc3c2)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTOYFADYLBJKN-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(NC(=O)[C@](O)(Cc2ccc(OC(F)(F)F)cc2)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMARXUHKOSYHFK-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(C[C@](O)(CS(=O)(=O)c2ccc(F)cc2)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZBSCKMURDGSPN-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(C[C@](O)(CS(=O)(=O)c2ccc(F)cc2)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXPBYWIMCDOPJF-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(OC[C@@](O)(Cc2ccccc2)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNEQEMHGLCKLLW-QFIPXVFZSA-N", "SMILES:N#Cc1ccc(OC[C@@](O)(Cc2cccs2)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVXPZDDVNZHST-SFHVURJKSA-N", "SMILES:CC[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USFUUUMXPOLQNS-UHFFFAOYSA-N", "SMILES:CCNC(=O)C1(Nc2nc(NC(C)c3ccc(Br)cc3)nc(N3CC4CC3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBRPNIJJBQWHCS-HTFLBPPUSA-N", "SMILES:CCNC(=O)C1(Nc2nc(N[C@@H](C)c3ccc(Br)cc3)nc(N3CC4CC3CN4S(=O)(=O)c3ccccc3OC(F)(F)F)n2)Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTIBQBOROOYKJ-UHFFFAOYSA-N", "SMILES:CCNC(=O)C1(Nc2nc(NCCc3ccc(Cl)c(Cl)c3)nc(N3CC4CC3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEHBSLONJHNTNR-UHFFFAOYSA-N", "SMILES:CCNC(=O)C1(Nc2nc(NCCc3ccc(Cl)c(Cl)c3)nc(N3CC4CC3CN4S(=O)(=O)c3ccccc3OC(F)(F)F)n2)Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFFBWCJVXCNBW-ZROIWOOFSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3299130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIWULLCPLATCL-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(CC3SC(=O)NC3=O)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3299131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHYDBQYEBFYRLN-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(Cc2coc3ccc(Br)cc3c2=O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3299132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFARBHYZTFLIOC-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(Cc2coc3ccc(Cl)cc3c2=O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3299133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYCOVMKDVVPSHH-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(Cc2coc3ccc(F)cc3c2=O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3299134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMZVQQVMTWCMRO-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(Cc2coc3c(Cl)cc(Cl)cc3c2=O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRZLECBBHPYBFK-JSWHPQHOSA-N", "SMILES:CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@@H](O)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3298861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVKLTFECFTRLH-UHFFFAOYSA-N", "SMILES:CC(NC1CC1)C(=O)c1cccc(Cl)c1.Cl"]}
{"name": "Transporter", "xref": ["CHEMBL.TARGET:CHEMBL6184"], "id": "UniProtKB:Q63380", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVKLTFECFTRLH-QRPNPIFTSA-N", "SMILES:C[C@H](NC1CC1)C(=O)c1cccc(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVKLTFECFTRLH-DDWIOCJRSA-N", "SMILES:C[C@@H](NC1CC1)C(=O)c1cccc(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSOCXYIJJIWHO-UHFFFAOYSA-N", "SMILES:CCCNC(C)C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJIUWPWADQNLC-UHFFFAOYSA-N", "SMILES:CCNC(C)C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRCPPJSKVGNERA-UHFFFAOYSA-N", "SMILES:CC(NC1CC1)C(=O)c1cccc(Br)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZAUYYNSPXRGC-WLHGVMLRSA-N", "SMILES:Cc1cccc(C(=O)C(C)NC2CC2)c1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTWRMZNTSSDFFZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)C(C)NC2CC2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USFNWTYWTKRCCN-WLHGVMLRSA-N", "SMILES:CC(NC1CC1)C(=O)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMEOVQVIOMPXPW-WLHGVMLRSA-N", "SMILES:Cc1ccc(C(=O)C(C)NC2CC2)cc1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUCPARIPICTSF-UHFFFAOYSA-N", "SMILES:CC(NC1CC1)C(=O)c1ccc(Cl)c(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWKNZNVQYXXKKN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)C(C)NC2CC2)cc1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQFHXURUUGDCN-UHFFFAOYSA-N", "SMILES:CC(N)Cc1cccc(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXEPSICDXPPHTO-UHFFFAOYSA-N", "SMILES:CNC(C)C(=O)c1cccc(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPJQYUXBYTUPA-UHFFFAOYSA-N", "SMILES:CCC(Cc1ccccc1)NC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPMGIMJSRUULN-UHFFFAOYSA-N", "SMILES:CCC(NC)C(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL545515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWJPRPRMGSJFLL-UHFFFAOYSA-N", "SMILES:CCCC(N)Cc1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSMYYYQVWPZWIZ-IDTAVKCVSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3326445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTOJKFPFVUIQER-DAUWQXBBSA-N", "SMILES:C=C(C)[C@@H]1CC=C(CN(OC)C2O[C@H](CN=[N+]=[N-])[C@@H](N=[N+]=[N-])[C@H](O)[C@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDFDUZVTPUEYQE-KOATVNNNSA-N", "SMILES:C=C(C)[C@@H]1CC=C(CN(OC)C2O[C@H](CO)[C@@H](O)[C@H](NC(=O)CCCCCCCCC)[C@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWLWNNESIGNST-WTKPLQERSA-N", "SMILES:O=C(CN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJDCOLXJYDHOM-DHZHZOJOSA-N", "SMILES:CN(C)c1ccc(/C=C/c2c(F)cccc2F)cc1"]}
{"name": "S-adenosylmethionine synthase isoform type-2", "xref": ["CHEMBL.TARGET:CHEMBL3313835"], "id": "UniProtKB:P31153", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDHQQOQEALBAS-JXMROGBWSA-N", "SMILES:CNc1ccc(/C=C/c2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAXUUHSGXRGGON-DHZHZOJOSA-N", "SMILES:CN(C)c1ccc(/C=C/c2c(F)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVXICBOMOGFMH-JXMROGBWSA-N", "SMILES:CNc1ccc(/C=C/c2c(F)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJXAKYONKKNHQ-DHZHZOJOSA-N", "SMILES:CN(C)c1ccc(/C=C/c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYAVIEFPFCTLFJ-JXMROGBWSA-N", "SMILES:CNc1ccc(/C=C/c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGTVYOCFBOJGSB-VQHVLOKHSA-N", "SMILES:CN(C)c1ccc(/C=C/c2c(F)cccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDUOFPYQRPTAN-VQHVLOKHSA-N", "SMILES:CN(C)c1ccc(/C=C/c2c(F)cccc2Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXOPMWOBDYSHY-VQHVLOKHSA-N", "SMILES:CN(C)c1ccc(/C=C/c2c(Cl)cccc2Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOGFUMHYSQPOM-SOFGYWHQSA-N", "SMILES:CN(C)c1ccc(/C=C/c2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBJCHZCDERMVBG-SOFGYWHQSA-N", "SMILES:CN(C)c1ccc(/C=C/c2c(F)cccc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVCFNZOSWGNGF-FNORWQNLSA-N", "SMILES:CNc1ccc(/C=C/c2c(F)cccc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJBOWVXLKGCKRA-SOFGYWHQSA-N", "SMILES:CN(C)c1ccc(/C=C/c2c(Cl)cccc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYILNNURKPDBG-VOTSOKGWSA-N", "SMILES:CN(C)c1ncc(/C=C/c2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMURVXSPGBDSBF-AATRIKPKSA-N", "SMILES:CNc1ncc(/C=C/c2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWHPXUPLYPULM-UHFFFAOYSA-N", "SMILES:O=C1CCCn2nc(COc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVXDTDPAPGUQZ-CQUFXQPESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCYHEBNWYNWDGK-AKWPICIASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMRJPQRMNIYMA-NITITCHZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXLQOCSCBJSZMO-YXPAHUSVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBRSBCMJMUFGU-PVQDVICYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQSVLHHDXFIGO-YCYIAAJPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOUUWVKNSUOFN-ORGILYLRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3311436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCVVYIYTIMUBZ-LIVOVOKJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3311438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCWMGUTUFWVHY-CPMGOHQRSA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8320", "category": ["biolink:ChemicalEntity"], "name": "BENZOQUINONE", "xref": ["InChIKey:AZQWKYJCGOJGHM-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)C=C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2297676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJDZYSGZLCUOCA-SOFGYWHQSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3309737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUSNPIGLSRDMY-SOFGYWHQSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2cc(Br)ccc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2005326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTECEXAWFUIWJG-NYYWCZLTSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL389840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPSQWJZKAIXNZ-IZZDOVSWSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYAXENHVWQUET-BJMVGYQFSA-N", "SMILES:Cc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKFNDADSPFRCJ-NYYWCZLTSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL7973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNQCLMGWCDWPM-IZZDOVSWSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL140711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSTYRJCRRHXXQH-KPKJPENVSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3309739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWXYIRPOODILF-HXUWFJFHSA-N", "SMILES:Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWXYIRPOODILF-FQEVSTJZSA-N", "SMILES:Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNTQDUCVTGWJKH-GOSISDBHSA-N", "SMILES:Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNTQDUCVTGWJKH-SFHVURJKSA-N", "SMILES:Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBBSZUVCQFFIZ-OAQYLSRUSA-N", "SMILES:Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBBSZUVCQFFIZ-NRFANRHFSA-N", "SMILES:Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSDJTXVUSCPPJT-JOCHJYFZSA-N", "SMILES:COc1ccc(C(=O)N2N=C(c3cc(Cl)ccc3O)C[C@@H]2c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSDJTXVUSCPPJT-QFIPXVFZSA-N", "SMILES:COc1ccc(C(=O)N2N=C(c3cc(Cl)ccc3O)C[C@H]2c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVINTLHNYKKKNC-QGZVFWFLSA-N", "SMILES:Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2snnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVINTLHNYKKKNC-KRWDZBQOSA-N", "SMILES:Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2snnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCSCTFMBMVXPC-HXUWFJFHSA-N", "SMILES:Cc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCSCTFMBMVXPC-FQEVSTJZSA-N", "SMILES:Cc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYFHRGBFGTQFU-GOSISDBHSA-N", "SMILES:Cc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYFHRGBFGTQFU-SFHVURJKSA-N", "SMILES:Cc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUEJRPNRKWUJEV-OAQYLSRUSA-N", "SMILES:Cc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUEJRPNRKWUJEV-NRFANRHFSA-N", "SMILES:Cc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHIZAGAVXGPBA-JOCHJYFZSA-N", "SMILES:COc1ccc(C(=O)N2N=C(c3cc(Br)ccc3O)C[C@@H]2c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHIZAGAVXGPBA-QFIPXVFZSA-N", "SMILES:COc1ccc(C(=O)N2N=C(c3cc(Br)ccc3O)C[C@H]2c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEXMIKIIKYQLO-GOSISDBHSA-N", "SMILES:Cc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEXMIKIIKYQLO-SFHVURJKSA-N", "SMILES:Cc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFRPQVFOKCCDRW-QGSVLCHKSA-N", "SMILES:COc1ccc(/C=C/C(=N\\NC(=O)c2ccc(OC)cc2)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQHQVNLIIBVPU-ARGGBEGESA-N", "SMILES:COc1ccc(/C=C/C(=N\\NC(=O)c2ccco2)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMISNIHKZAHFI-RQLCIQNHSA-N", "SMILES:Cc1ccc(/C=C/C(=N\\NC(=O)c2cccs2)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVIRTQVFRYNZMQ-KAOWQTPLSA-N", "SMILES:Cc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZWZQLGJADKDM-IQULRFRNSA-N", "SMILES:Cc1cccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTSNCRHGYGSHT-OKYUSYETSA-N", "SMILES:COc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFIBQMOYIBLGBS-QGSVLCHKSA-N", "SMILES:COc1ccc(/C=C/C(=N\\NC(=O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQIQDTVKCYWMAY-KUZSRZIKSA-N", "SMILES:Cc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZUZYCMRXPIBJC-VBYNVFIDSA-N", "SMILES:COc1ccc(C(/C=C/c2ccc(C)cc2)=N\\NC(=O)c2snnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOBDEBYCGNQCGK-OGKXREFASA-N", "SMILES:CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC2=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTBYINCIVBRQNU-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccn1"]}
{"name": "Endoplasmin", "xref": ["CHEMBL.TARGET:CHEMBL1075323"], "id": "UniProtKB:P14625", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPKWHQJLLNHDGJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORUHKFFJYWHOQG-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAXWMEOHWABEBI-RCUVRXQASA-N", "SMILES:CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O"]}
{"name": "N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3", "xref": ["CHEMBL.TARGET:CHEMBL3325305"], "id": "UniProtKB:Q9Y2A9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRIBKPUEENOKSF-RXSBVVMGSA-N", "SMILES:CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRKRECSIYXARE-HMAPJEAMSA-N", "SMILES:O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQBWENWZFKAGN-UCQKPKSFSA-N", "SMILES:Nc1ccc(C/C(=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)C(=O)O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVEHYQSBYVXTOO-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)O)Cc3cccc(Oc4ccccc4)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEGBOXMDBPYEV-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)O)Cc3ccc(Oc4ccccc4)cc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMLZXITFYDBMT-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)O)Cc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRMSZZGPKBSNTA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c[nH]c(=O)c(-c3cc(OC)c(OC)c(OC)c3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZUQYAXYBOEHCY-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(C(F)(F)F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFLBULDBHDVQT-HNTWMIBOSA-N", "SMILES:COc1cccc(C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)C[C@@H](OC(=O)C=C(C)C)[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYHAOVWDFLWADN-UHFFFAOYSA-N", "SMILES:C=C1CC(CCCC)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTPVEMKSUYEKK-UHFFFAOYSA-N", "SMILES:C=C1C(=O)OC(c2ccccc2)C1CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLQVVNFTCYVCPB-MRXNPFEDSA-N", "SMILES:CCCCCCCCCCCCC[C@H]1OC(=O)C(C)=C1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3318192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVPNXDCCCBXHMF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC1C=C(C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3317919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAVLUPLFJPDQJN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3317923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYDYFNDRBBNRE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C(=O)Nc2ccc(-c3cccnc3)cc2F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3317924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKAHJKGUHIFIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(-c3cccnc3)cc2F)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3317932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZAQMWWEOYQOMR-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C(=O)Nc2ccc(-c3ccncc3)cc2F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1329957", "category": ["biolink:ChemicalEntity"], "name": "RICININE", "xref": ["InChIKey:PETSAYFQSGAEQY-UHFFFAOYSA-N", "SMILES:COc1ccn(C)c(=O)c1C#N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3334620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOHOFZYIJTTKY-IMROQKSMSA-N", "SMILES:CC(C)[C@@H]1C[C@H](O)[C@H](C)C[C@H](C)C[C@H](C)C(=O)NCC(=O)N(C)[C@H](Cc2ccc(O)c(I)c2)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3318285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEXCGGWTIDNVNT-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCCC3)nc(NCCCCCN3CCCC3)c2cc1OC"]}
{"name": "N-lysine methyltransferase KMT5A", "xref": ["CHEMBL.TARGET:CHEMBL1795176"], "id": "UniProtKB:Q9NQR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3323685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDSXYABJGCZJJZ-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTRVWRBYTGUGGK-LPYMAVHISA-N", "SMILES:COc1ccc(/C=N/OCC(O)CN2CCC(O)CC2)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3337640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYAUOAQLDKGCIR-HLMYAEIBSA-N", "SMILES:COC(=O)[C@H]1C(=O)O[C@H]2C[C@H](C)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3325623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBAMZGXDVSQHTA-JEWWICQWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C(O)CCc1ccc(O)cc1)C(=O)N[C@H](C=O)CCCNC(=N)N"], "chembl_natural_product": true}
{"name": "Trypsin", "xref": ["CHEMBL.TARGET:CHEMBL2366"], "id": "UniProtKB:P00761", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGRXXURFZTUACP-PBYWLSQTSA-N", "SMILES:CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C(=O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3314803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYWTJKSEPIXRW-VTPHGMQVSA-N", "SMILES:CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C(=O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1939360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKPOYAJYRYOGBN-DUVBXBALSA-N", "SMILES:CC(C)=CC/C=C(\\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL398412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXIFXNRCLMQCD-JBVRGBGGSA-N", "SMILES:CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3315151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLGVBTPNJHCCTL-FGSBMQTASA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQYUOZOEWMYKT-MSYIYWSESA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYYTDCENDYKBR-ZETCQYMHSA-N", "SMILES:O=C1CC[C@H](O)c2cccc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3314186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGQHIACLKVMSX-SDQWYYNMSA-N", "SMILES:CC1(C)CC(NC(=O)[C@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)NC(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKUMCUMTSONLK-QRNTWXQZSA-N", "SMILES:CC(C)C[C@H]1NC(=O)[C@@H](Cc2cscn2)NC(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)NC(=O)[C@H](C(C)C)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSHVHLADKXCML-RQNOJGIXSA-N", "SMILES:CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWCPBBZVUALKSD-HFOKRWRUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(N)=O"]}
{"name": "SPRY domain-containing SOCS box protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3325309"], "id": "UniProtKB:O88838", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADLVMRJQZQOBL-GOSISDBHSA-N", "SMILES:CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNRNJDBLIKGQC-GOSISDBHSA-N", "SMILES:CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(F)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJJGAJAUECQWSZ-LJQANCHMSA-N", "SMILES:Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTHYQDBTBACBV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCOCC2)NC(c2c(F)cc(F)cc2F)=NC1c1ccc(F)cc1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSTFOADJCVFZQP-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)NCCNc1c2c(c(N)c3ccsc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGZCSUAIOUYSV-UHFFFAOYSA-N", "SMILES:CNCCNc1c2c(c(NCCNC(=N)N)c3ccsc13)C(=O)c1ccccc1C2=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQIJPCKRVYXPO-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)NCCNc1c2c(c(NCCN)c3sccc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLLLEGMEEDYATR-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)NCCNc1c2c(c(NCCCN)c3sccc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFNYBFNXUYKLW-UHFFFAOYSA-N", "SMILES:CNCCNc1c2c(c(NCCNC)c3sccc13)C(=O)c1ccccc1C2=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNHJZHJKBXBBBZ-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)NCCNc1c2c(c(NCCNC(=N)N)c3sccc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLUJHCOLTZNFG-UHFFFAOYSA-N", "SMILES:CC(=N)NCCNc1c2c(c(NCCNC(C)=N)c3sccc13)C(=O)c1ccccc1C2=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKIJQOWAABLREG-FRGVEXLJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKYQAUXDYEBPZ-AXFZOFTKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](SC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEVULXVNNNNGX-DACMYBEBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVMGIUZDRKYJP-FRGVEXLJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQQQXQVWMJKXNQ-UNGLXHEOSA-N", "SMILES:CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSODNURHHWNVSF-UNGLXHEOSA-N", "SMILES:CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCZNWIGBGJBZBD-SFKWGLIHSA-N", "SMILES:CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJGYCSALVFNJQY-FWMOCXAOSA-N", "SMILES:CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJRSYQAUCRCNH-YKEMCRMISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKBANBBMSNGHU-YKEMCRMISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYWGUNQAMYZPF-QPLNMOKZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXMNRJABGLZZHG-FRGVEXLJSA-N", "SMILES:CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVLKGQVXAXXSJJ-PBHNCVLYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXALIGVPPAHAT-GESINAPRSA-N", "SMILES:CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAROBYGIPHQGGW-WRLGQHNVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHDGUIZZYBIPM-SFKWGLIHSA-N", "SMILES:CCCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHZFVBAOMWQGJ-WSCPPPQASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSUGDZZJDWYRIA-LZNUSVCISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBOKYCZQCAMNF-LZNUSVCISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccnc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRFGOYAIKHARA-WRLGQHNVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccco2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COMIMQQIDBGQFG-SFKWGLIHSA-N", "SMILES:CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUCUNDNFCKYUKE-ASIWTYMMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHAXUNULWVZJGM-NIFJBHDKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFDAUZOSXCUKEG-OTQBRQNKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICUKKSACAFOILF-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cnc(-c2nc(CC(=O)NCCc3ccccn3)c(-c3ccccc3)s2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXHVPJXEVMGIEH-UHFFFAOYSA-N", "SMILES:Cc1sc(-c2ncc(C#N)c(C)c2O)nc1CC(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKLNTMHRWFUOY-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cnc(-c2nc(CC(=O)NCCc3ccccn3)cs2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDYFUIZAAIQAPA-UHFFFAOYSA-N", "SMILES:Cc1sc(-c2ncc(C#N)cc2O)nc1CC(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPGMDIQJGIQEFW-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(-c2nc(CC(=O)NCCc3ccccn3)cs2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFDMCXCLTIPJIW-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(-c2nc(CC(=O)NCCc3ccccc3)cs2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVZOSZOXQWVSN-OAHLLOKOSA-N", "SMILES:N#Cc1cnc(-c2nc(CC(=O)N[C@H](CO)c3ccccc3)cs2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVZOSZOXQWVSN-HNNXBMFYSA-N", "SMILES:N#Cc1cnc(-c2nc(CC(=O)N[C@@H](CO)c3ccccc3)cs2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXQBXVKTSSLJU-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)Cc1nc(-c2ncc(C#N)c(C)c2O)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWRIQYVUOXHFG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(-c3csc(-c4ccc(F)cc4)n3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1966136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZPXBXVBQSBDG-IJIVKGSJSA-N", "SMILES:O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)c(Cl)c2)cc1/C=C/c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBKHEWJRNZOPNN-JBYJGCOVSA-N", "SMILES:COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPOZMXQAPOYNQV-QHQGJMPNSA-N", "SMILES:COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJTLCLPGVHMWAK-JVRMVBBZSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTDBPHBTDWBQP-BDANYOJNSA-N", "SMILES:COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXUUXAMHZDQTP-XCNSUXLFSA-N", "SMILES:COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFXLEFVOWNLBK-FZFNOLFKSA-N", "SMILES:COC(=O)[C@]12CC[C@@H](C(C)=O)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENMEXOXMYADPY-SUXCAEKLSA-N", "SMILES:COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OS(N)(=O)=O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFHYOSPBLYPCBO-SUXCAEKLSA-N", "SMILES:COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXQFFNQELPCOLJ-CYVYTNFQSA-N", "SMILES:COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZOAECTXWFUKT-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(N2CCN(c3nc(-c4cccc(O)c4)cs3)CC2)c(Nc2nc(-c3cccc(O)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163793", "category": ["biolink:ChemicalEntity"], "name": "CATHARANTHINE BASE", "xref": ["InChIKey:CMKFQVZJOWHHDV-NQZBTDCJSA-N", "SMILES:CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3325770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVDQMVGALBDGE-YEEBJNCVSA-N", "SMILES:CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3298066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNIFOHGQPKXLJE-SDQBBNPISA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(O)c2)Oc2c1ccc(O)c2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3297746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIWCQHSJILTOY-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3298931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNVKNUHUYCYOM-DHUJRADRSA-N", "SMILES:C=CC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cn(CCCCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJFJHPGFJFALD-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2nnn3ccccc23)n1)c1cccc(-c2nnn3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3311247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQLXCXKOCDIIW-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(=O)c2cccc(-c3nnn4ccccc34)n2)n1)c1cccc(-c2nnn3ccccc23)n1"]}
{"name": "Lysine-specific demethylase 4E", "xref": ["CHEMBL.TARGET:CHEMBL1293226"], "id": "UniProtKB:B2RXH2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBOWGZQRUNUQGL-ZDLGFXPLSA-N", "SMILES:O=C1Nc2cc(NC(=O)c3c[nH]cc(-c4ccccc4F)c3=O)ccc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215152", "category": ["biolink:ChemicalEntity"], "name": "DEFOSBARASERTIB", "xref": ["InChIKey:QYZOGCMHVIGURT-UHFFFAOYSA-N", "SMILES:CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1"], "synonym": ["Azd 2811", "Azd-1152-hqpa", "Azd2811", "Barasertib-hqpa", "Defosbarasertib", "AZD-1152 HQPA", "AZD-1152HQPA", "AZD-2811", "INH-34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223742", "category": ["biolink:ChemicalEntity"], "name": "7-O-METHYLCRYPTOCHINONE A", "xref": ["InChIKey:CEQRNWQUBHZVDF-MTKHPJAWSA-N", "SMILES:CO[C@H]1CC2=C(C(=O)C[C@@H](c3ccccc3)O2)[C@H]2CC(=O)O[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1223743", "category": ["biolink:ChemicalEntity"], "name": "7-O-METHYLCRYPTOCHINONE B", "xref": ["InChIKey:CEQRNWQUBHZVDF-QCRGFSPQSA-N", "SMILES:CO[C@H]1CC2=C(C(=O)C[C@@H](c3ccccc3)O2)[C@@H]2CC(=O)O[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1223740", "category": ["biolink:ChemicalEntity"], "name": "CRYPTOCHINONE A", "xref": ["InChIKey:LCYOEQRSFIXYFW-FIHUPRISSA-N", "SMILES:O=C1C[C@@H]2C3=C(C[C@H](O)[C@@H]2O1)O[C@H](c1ccccc1)CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1223741", "category": ["biolink:ChemicalEntity"], "name": "CRYPTOCHINONE B", "xref": ["InChIKey:LCYOEQRSFIXYFW-PYERRIOISA-N", "SMILES:O=C1C[C@H]2C3=C(C[C@H](O)[C@H]2O1)O[C@H](c1ccccc1)CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL18840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKZLNEWVIAGNAW-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c2ccc(C(N)=O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3326228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUYCAYIZLOVUHR-FBGQUBCLSA-N", "SMILES:CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTOLUQQODODSE-HIEQMXGESA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWXOJQKTMHGLL-CQCRDEEPSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRGCGNFNGQLCC-SVEDWGEGSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCPUPDYBUPHRL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOAJCTZLSXGBHZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCNc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFCRKZJPBDDMSF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284104", "category": ["biolink:ChemicalEntity"], "name": "DIPICOLINIC ACID", "xref": ["InChIKey:WJJMNDUMQPNECX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(C(=O)O)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL225164", "category": ["biolink:ChemicalEntity"], "name": "CLOXYQUIN", "xref": ["InChIKey:CTQMJYWDVABFRZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)c2cccnc12"], "synonym": ["Cloxiquine", "Cloxiquina", "Cloxyquin", "NSC-35083", "Cloxyquin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1650627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXZQYLBVMZGIKC-UHFFFAOYSA-N", "SMILES:c1ccc(CNCc2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXPPAOGUKPJVDI-UHFFFAOYSA-N", "SMILES:Oc1ccc2ccccc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL361497", "category": ["biolink:ChemicalEntity"], "name": "ARTESUNATE", "xref": ["InChIKey:FIHJKUPKCHIPAT-AHIGJZGOSA-N", "SMILES:C[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"], "synonym": ["Artesunate", "Artesunate", "Artesunate", "Artesunate", "Artesunato", "Artesunate", ".alpha.-artesunic acid", "Artesunate", "Artesunatum", "Artesunic acid", "Dihydroqinghaosu hemisuccinate", "Plasmotrin", "Qinghaozhi", "Saphnate", "Zysunate", "LJPC-0118", "NSC-712571", "Arsumax", "Artesunate amivas", "Artesunate", "Artesunate"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3326930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGFTWWXYOBSIL-UHFFFAOYSA-N", "SMILES:CCCCCn1c(N)nc2c(C)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3323135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPILXRCIKXUGW-UHFFFAOYSA-N", "SMILES:N=C(CCl)NCCCCNCCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"name": "Putative agmatine deiminase", "xref": ["CHEMBL.TARGET:CHEMBL3559648"], "id": "UniProtKB:Q8DW17", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:210007"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1205178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVZUHBWXRGVOG-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12"]}
{"name": "Phospho-N-acetylmuramoyl-pentapeptide-transferase", "xref": ["CHEMBL.TARGET:CHEMBL3559642"], "id": "UniProtKB:E2QF15", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZOPLSJHVHRPM-ONEGZZNKSA-N", "SMILES:C=C(C)/C=C/c1ccc2c(C(=O)C(F)(F)F)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3040189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHRWZBGJTSPCGJ-IMJSIDKUSA-N", "SMILES:N[C@H]1C[C@H]1CC(=O)O"]}
{"name": "Sodium- and chloride-dependent betaine transporter", "xref": ["CHEMBL.TARGET:CHEMBL3715"], "id": "UniProtKB:P48065", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium- and chloride-dependent GABA transporter 3", "xref": ["CHEMBL.TARGET:CHEMBL5208"], "id": "UniProtKB:P48066", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1576457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRLXYHUYUYAJL-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nn3c(-c4ccco4)nnc3s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3311302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZCQEUZTOAAWDK-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)cc1"]}
{"name": "Free fatty acid receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL5339"], "id": "UniProtKB:Q5NUL3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJBXOYWCVGECEL-MBMZLHFWSA-N", "SMILES:C=C(C)[C@]1(OC(=O)/C=C\\C=C\\CCCCCCCCC)C[C@@H](C)[C@@]2(O)[C@H]([C@H]1O)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3309439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEEFNBYRKPOUJV-GBSKIJSSSA-N", "SMILES:C=C(C)[C@@]1(O)[C@H](OC(=O)/C=C/C=C/CCCCCCCC)[C@@H]2[C@@H]3O[C@]3(CO)[C@@H](O)[C@]3(O)C(=O)C(C)=C[C@H]3[C@@]2(O)[C@H](C)[C@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3741150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGORPXMXKBHER-PAAMMUKASA-N", "SMILES:C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C/C=C/CCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3309441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKTPYRDTLBAVJH-AUSJPIAWSA-N", "SMILES:COc1cc([C@H]2OC[C@@H]3Cc4cc(OC)c(O)cc4C[C@@H]32)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3315321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADOJRDXTDWNJX-NGTAMTFRSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"name": "Neuromedin-U receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1075178"], "id": "UniProtKB:Q9HB89", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMQWNGDCLEVBC-CVUOCSEZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXCFYIQEOGMSI-CVUOCSEZSA-N", "SMILES:CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWLUDWZDRUZMM-QJCLFNHPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQFAEIXTGZXDF-LBBUGJAGSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXLZUZUATWBSG-POFDKVPJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNXDKMQXDSCOCK-NGTAMTFRSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKSGQMQJABXHFV-DUGSHLAESA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJGEESDHAUUQR-SKGSPYGFSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCc1cccnc1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBHACSFBZOHQR-SKGSPYGFSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCc1cccnc1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLLRMQABDYYBL-BGBFCPIGSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1cccnc1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSVODEJPQDECSW-NGTAMTFRSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccncc1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBORKSSFHBORNT-NGTAMTFRSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccnc1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIBSERQYGLMYEG-NGTAMTFRSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccn1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGURQIPRTJVAQG-CVUOCSEZSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ccnc1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNMARSGQCEXFD-AQRCPPRCSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"name": "Neuromedin-U receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL1075144"], "id": "UniProtKB:Q9GZQ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHRZIBJSMYUOI-WPMUBMLPSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQAJEFSMHNANI-IJMJMNMJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLSQBDWDUJSIW-HWKKFYSMSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXJUZIXUEMGXFG-FSJACQRISA-N", "SMILES:CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXJWKYBQLTKMG-LBBUGJAGSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMLKHPOJGMUQI-LBBUGJAGSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRBJVDHEBSOMD-CVUOCSEZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWGNVNAJQZFDSN-FSJACQRISA-N", "SMILES:CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQHAHOLTJGVNF-CVUOCSEZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHGDBWKAHCZJF-FSJACQRISA-N", "SMILES:CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYLGTCJHIMGOOS-NGTAMTFRSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCCC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXSLOJMLIHTKQJ-LBBUGJAGSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLHFKDUDVBIPL-NGTAMTFRSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHMCGBRGDVCXLS-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEFCQYJFWUNMIM-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)n(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c2nc3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCBZRASNLTVWDT-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)n(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c2nc3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3327130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVNIBNOGVFIMRE-FAMVWQPRSA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCc3ccc(C(F)(F)F)nc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3341854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHRDHQISONLPC-WHKHFNMHSA-N", "SMILES:C=CCOC(=O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCc5cn(CC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc6cnc[nH]6)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc6ccc(O)cc6)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(N)=O)nn5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYBUYLOGJNQDIK-PXUYJNPLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3311308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUAFMNPXPXOJE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXPICJOHCVKEN-VLPIPSKASA-N", "SMILES:COc1ccc(OCc2ccc([125I])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQKBBQFDQSRXEA-VLPIPSKASA-N", "SMILES:COc1ccc(COc2ccc([125I])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQFXILUKPVTRRK-RFLHHMENSA-N", "SMILES:CN(C)c1ccc(OCc2ccc([125I])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3323281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZGDSFNEDWIAL-APPDCXGPSA-L", "SMILES:CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274413", "category": ["biolink:ChemicalEntity"], "name": "NAPHMETHONIUM", "xref": ["InChIKey:RAQIIXZOPAVKFU-UHFFFAOYSA-L", "SMILES:CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOYIVHVYYYOCHB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(=O)c3cc(Cl)cc(NCCCO)c3o2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIKZFKQVVHVCI-WLZWUTLSSA-N", "SMILES:C[C@H](CCCCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISELACRIJKHUTE-BJLOMENOSA-N", "SMILES:C[C@H](CCCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNZHXVVXQGGZNK-GJVBBNQBSA-M", "SMILES:C[C@H](CC/C=C/C(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHEWLDFHCRCFME-SUNGNRPHSA-N", "SMILES:C[C@H](CC/C=C/C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDWIPNTEXXSHR-NKTAAHLDSA-N", "SMILES:COC(=O)/C=C/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWLVDXAELBPRS-JDDNVXIFSA-M", "SMILES:C[C@H](CCCCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISELACRIJKHUTE-LBSADWJPSA-N", "SMILES:C[C@H](CCCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTLYZVGVVKSBX-WGWZZZELSA-N", "SMILES:COC(=O)CCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIKZFKQVVHVCI-KRCSRCIFSA-N", "SMILES:C[C@H](CCCCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTAVEKBGEXLMTO-UZVSRGJWSA-N", "SMILES:COC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWAMXTCHWIEYBZ-ITLHHNROSA-M", "SMILES:C[C@H](CC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254990", "category": ["biolink:ChemicalEntity"], "name": "NORUCHOLIC ACID", "xref": ["InChIKey:QYYDXDSPYPOWRO-JHMCBHKWSA-N", "SMILES:C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "synonym": ["Norucholic acid", "Acide norucholique", "Acido norucolico", "24-norursodeoxycholic acid", "Nor-ursodeoxycholic acid", "Norucholic acid", "Norursodeoxycholic acid"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMKBTNSGVBUOV-JORWXBNXSA-K", "SMILES:C[C@H](CCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](OS(=O)(=O)[O-])C[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRVLQLGVJCOWCV-ITWWZYCISA-L", "SMILES:C[C@H](CCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](OS(=O)(=O)[O-])C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVJFUFVUAMJERE-ITWWZYCISA-L", "SMILES:C[C@H](CCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQNZUPGIWURBMS-RDYGPAGHSA-M", "SMILES:C[C@H](CCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](OS(=O)(=O)[O-])C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJMXSITOYNADP-RDYGPAGHSA-M", "SMILES:C[C@H](CCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTXNTQLDIBISCA-RDYGPAGHSA-M", "SMILES:C[C@H](CCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQLBTYPFUGRFQI-KHLWDBHXSA-N", "SMILES:C[C@H](CCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGALQDLKWWSXMK-ULQOMZCQSA-N", "SMILES:C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJQVDLALHYBLZ-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2c(c3cc(C(=O)N(CC)C4CC4)ccc31)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAOETMLPQECIF-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCCCC3)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKKRSMYRIADDB-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1ccc2c(c1)c1c(c(=O)n2CC)CCCCC1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZMPEZPJXSHPU-JMIUGGIZSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cccc(Cn2cc(C(=O)O)c(=O)c3cc(I)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUOZFKYIHZVTRA-QBHOUYDASA-N", "SMILES:CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc2c1OC(C(C)(C)O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3314593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOVQYNGOFQMCJ-QBHOUYDASA-N", "SMILES:CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc2c1OC(C)(C)C(O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3314944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSDQBQXTFSYCY-UHFFFAOYSA-N", "SMILES:Cc1c(OS(=O)(=O)c2cccc3c(N(C)C)cccc23)ccc2c1[nH]c1cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279998", "category": ["biolink:ChemicalEntity"], "name": "ISONIPECOTIC ACID", "xref": ["InChIKey:SRJOCJYGOFTFLH-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCNCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3322864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCIFWRHIEBXBOY-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZZLIARCVQOPQS-UHFFFAOYSA-N", "SMILES:Cc1nc(N)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKFFOOSODQYPO-UHFFFAOYSA-N", "SMILES:Cc1cc(N)ncc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPOSMQPBVIXZBM-UHFFFAOYSA-N", "SMILES:CC1(COC(=O)Cc2ccccc2)Cc2ccccc2CN1C(=O)Cc1ccccc1"]}
{"name": "G protein-coupled receptor", "xref": ["CHEMBL.TARGET:CHEMBL3559679"], "id": "UniProtKB:Q9IP65", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10359"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVUSOTSFFHMLDG-UHFFFAOYSA-N", "SMILES:CC1(CO)Cc2ccccc2C(=O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUYDFJEXQJSSB-ZVBGSRNCSA-N", "SMILES:Cc1cc(=O)oc2c(/C=N/NC(=O)CSc3nc4ccccc4s3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKVXAYFARAQUQF-YDZHTSKRSA-N", "SMILES:CCC(Sc1nc2ccccc2s1)C(=O)N/N=C/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNIKUCPTOAKVRA-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMIHRDKFQXCPK-UHFFFAOYSA-N", "SMILES:CNC(=O)Cn1c(=O)c(C(=O)NCCOC)c(O)c2ncc(Cc3ccc(F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSGJMLCZAJLFNE-CBSYONAGSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMBOAPKGNMIISA-CBSYONAGSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQCARSNGEIBNGP-YFKGXFAISA-N", "SMILES:Cn1c(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANZOSRNSKEJDL-XSGLBDKUSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3323358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVBJUAOAMFYIU-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1=NN(c2cccc(Cl)c2)C(c2ccc(F)c(O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHXFRDDFGQHHD-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCCCC2)cc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNGINUIDSUYTMZ-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCCCC2)ccc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAKXDCWCAZHCBG-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)N2CCCCC2)ccc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJTZQPTVNWCDBI-UHFFFAOYSA-N", "SMILES:c1ccc(CNCCNCc2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WILZWITYAQZYKV-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cccc(NC(=O)C(=O)Nc3ccc(-c4ccsc4)cc3)c2)c(I)c2cc(C(=O)O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1169635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKBJZCIAKJLAZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3323390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQKSVFIRHIIXHW-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)C(=O)N2CCCN=C2N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJOGHLHRLFZUCO-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(-c2nc(C)c(C(=O)O)[se]2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCRLKHKDVUWPMH-WQRHYEAKSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(O)c(O)c3)c(=O)n2C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHSUIEUPKVGDIZ-YVLHZVERSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C\\c3cc(O)c(O)c(O)c3)c(=O)n2C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKGLRHRNGGDMDM-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(C(=O)O)cc2ccc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLLRTLCGZRODTB-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccc(-c3nccn3-c3ccc(N4CCNCC4)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3315358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQIGYWHKUYDGKM-LHEWISCISA-N", "SMILES:CC[C@@]1(OC(=O)CN/C(Cc2ccc(OC)cc2)=N/S(=O)(=O)c2ccc(C)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWHVURROUEYNL-VJBWXMMDSA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSXBTYIDZBMOPM-ZDGQEMPXSA-N", "SMILES:CC(C)[C@H](CC(=O)[C@H]1Cc2ccc(F)cc2CN1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNANZLLSTOISIU-ZDGQEMPXSA-N", "SMILES:CC(C)[C@H](CC(=O)[C@H]1Cc2ccc(F)cc2CN1)CN1CC[C@@](C)(c2cccc(F)c2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRJVTLMBNYRCE-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURDALMMKPPUIY-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)Cc1c(C(=O)NN3CCCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHVZMUKMLCLTDE-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)Cc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEOTPXMYLFTAK-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)Cc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGRLWKHFURODCT-FYNSKXJZSA-N", "SMILES:Cc1cc2c(s1)Cc1c(C(=O)NC3C[C@@H](C)CC[C@@H]3C(C)C)nn(-c3ccc(Cl)cc3Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXSAGTIQJFSAHN-UHFFFAOYSA-N", "SMILES:Cc1csc2c1-c1c(c(C(=O)NN3CCCCC3)nn1-c1ccc(Cl)cc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPHXSBXJACUNJ-UHFFFAOYSA-N", "SMILES:Cc1csc2c1-c1c(c(C(=O)NN3CCCCCC3)nn1-c1ccc(Cl)cc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRSWOHBUHKRXPQ-UHFFFAOYSA-N", "SMILES:Cc1csc2c1-c1c(c(C(=O)NN3CCCC3)nn1-c1ccc(Cl)cc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSHNGSRFGIUKNM-UHFFFAOYSA-N", "SMILES:Cc1csc2c1-c1c(c(C(=O)NC3CCCCC3)nn1-c1ccc(Cl)cc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZTVKTRDFAFREA-UHFFFAOYSA-N", "SMILES:Cc1csc2c1-c1c(c(C(=O)NN3CCOCC3)nn1-c1ccc(Cl)cc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZEXBIKPJIECBH-ZUIVQFGISA-N", "SMILES:Cc1csc2c1-c1c(c(C(=O)NC3C[C@@H](C)CC[C@@H]3C(C)C)nn1-c1ccc(Cl)cc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEGPYLXFUSRUBB-VOUHIXETSA-N", "SMILES:Cc1csc2c1-c1c(c(C(=O)NC3C(C)(C)C4CC[C@@]3(C)C4)nn1-c1ccc(Cl)cc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPMJNKOBOQBQSF-XIYCMYMWSA-N", "SMILES:Cc1ccc(Cn2nc(C(=O)NC3C[C@@H](C)CC[C@@H]3C(C)C)c3c2-c2cc(C)sc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUGRFBXRHDXRCR-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc(C(=O)NN3CCCCC3)c3c2-c2c(C)csc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHFDYOROMTIMX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc(C(=O)NN3CCCCCC3)c3c2-c2c(C)csc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMFMBLAUSLKVED-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc(C(=O)NN3CCCC3)c3c2-c2c(C)csc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQCZGQMPNVOQB-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc(C(=O)NC3CCCCC3)c3c2-c2c(C)csc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFKUCPWTUULLU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc(C(=O)NN3CCOCC3)c3c2-c2c(C)csc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCZLIGVWMQNBT-ZBUVYOTDSA-N", "SMILES:Cc1ccc(Cn2nc(C(=O)NC3C[C@@H](C)CC[C@@H]3C(C)C)c3c2-c2c(C)csc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVLXLJVMLUUFMS-LBDPGJCZSA-N", "SMILES:Cc1ccc(Cn2nc(C(=O)NC3C(C)(C)C4CC[C@@]3(C)C4)c3c2-c2c(C)csc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHAHZEKELWWMSJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCC1CC(Br)=NO1"]}
{"name": "Glyceraldehyde-3-phosphate dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL3559677"], "id": "UniProtKB:Q8T6B1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNXKJBBQEFYTQV-UHFFFAOYSA-N", "SMILES:BrC1=NOC(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1971775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDHTAJMMDSEME-OKKQSCSOSA-N", "SMILES:N[C@H](C(=O)O)[C@@H]1CC(Br)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231101", "category": ["biolink:ChemicalEntity"], "name": "ACIVICIN", "xref": ["InChIKey:QAWIHIJWNYOLBE-OKKQSCSOSA-N", "SMILES:N[C@H](C(=O)O)[C@@H]1CC(Cl)=NO1"], "synonym": ["Acivicin", "Acivicine", "Acivicina", "AT 125", "AT-125", "NSC-163501", "U 42,126", "U 42126", "U-42,126", "U-42126", "Acivicin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3329255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQKHDLVXQFONPI-UHFFFAOYSA-N", "SMILES:ClC1=NOC(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMOAYVPFKZSDGH-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/c2ccc(C(=O)NCC(c3ccccc3)n3ccnc3)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUCXTWQGDIPUNL-MDZDMXLPSA-N", "SMILES:COc1cc(/C=C/c2ccc(C(=O)NCC(c3ccccc3)n3ccnc3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTENHWTVRQKWRI-UHFFFAOYSA-N", "SMILES:COc1nn(-c2ccc(NC(=O)OCc3ccccc3)c(C)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3297865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXQGJOGBIHMDHQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUUQRPBUXILLV-LFGUQSLTSA-N", "SMILES:C=C[C@@](C)(O)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1290790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNMOFIMYKFXMJC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3102948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQPWVGCKOCBIN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGQXLVAAFQPTJC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c[nH]c3ncc(-c4cccc(N)c4)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMVJTLZDLVONQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4cc(OC)c(OC)c(OC)c4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEGEHOQTHDPJD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNGCHACUJQEGMA-RBGJJZJSSA-N", "SMILES:O=C(O)[C@@H]1CCCN(CCOCCc2cccc(/N=N/c3cccc4ccccc34)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNVPNVJGPSXDR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(C(=O)c2cc3ccc(F)cc3[nH]2)C(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFPHHDWFQJPPJ-UCORVYFPSA-N", "SMILES:COC(=O)[C@@H](N)[C@@H]1CC(Br)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHTXWLTHQRUBU-ONGXEEELSA-N", "SMILES:N[C@H](C(=O)OCc1ccccc1)[C@@H]1CC(Br)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SINNBHGJGXIGTC-ONGXEEELSA-N", "SMILES:O=C(N[C@H](C(=O)O)[C@@H]1CC(Br)=NO1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CROBGKVKJCOLFO-BDHVOXNPSA-N", "SMILES:OC[C@H]1O[C@@H]2N=C(SCCCCCCCCCCCCCCCCF)O[C@@H]2[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBOIQVSYAIHBX-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRQMVINTAOQQLP-BJMVGYQFSA-N", "SMILES:C=CCOC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1"]}
{"name": "Protein tyrosine phosphatase type IVA 2", "xref": ["CHEMBL.TARGET:CHEMBL1075105"], "id": "UniProtKB:Q12974", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein tyrosine phosphatase type IVA 1", "xref": ["CHEMBL.TARGET:CHEMBL1075169"], "id": "UniProtKB:Q93096", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVOPOZVLBHOHR-UHFFFAOYSA-N", "SMILES:Nc1c[nH]c(=O)c2cc(-c3ccccc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1796293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHCZZBTYLIKMU-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Oc1ccc(C(=O)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBKKWWSLMVASV-UHFFFAOYSA-N", "SMILES:CCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCFYWWZCCVGFB-UHFFFAOYSA-N", "SMILES:O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2[nH]c(=S)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1430321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWACAQHQSRMSEQ-UHFFFAOYSA-N", "SMILES:Nc1cc(N)cc(-c2nc3ccccc3[nH]2)c1"]}
{"name": "Apical membrane antigen 1", "xref": ["CHEMBL.TARGET:CHEMBL3559647"], "id": "UniProtKB:Q7KQK5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWVCBKYWIGBMEF-HCOPGLORSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWJJBQYIPYVYTR-NSOBERRGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKAPXWIFLZNFAE-UHFFFAOYSA-N", "SMILES:Nc1ccc2nc(N3CCCCC3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMAWPWZDLKEFJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1sc2ccccc2c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHKCYKXIPOOSAK-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccnc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJZBFTDGLFGUAY-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3ncncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWPCGQPIAAPTN-VBJZNFJTSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)CCC(=O)NCCCCCC(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@](C)(O)C[C@@H](C)C(NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"]}
{"name": "Angiomotin", "xref": ["CHEMBL.TARGET:CHEMBL3392949"], "id": "UniProtKB:Q4VCS5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPYNQDIBQDSHOG-KOKDNYFFSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCSC)[C@](C)(O)C[C@@H](C)C(NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSLKRBLDSLJSPD-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1cc(CC(C)C)ccc1-c1cccc(Cn2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPXPXVPCOHFHL-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1cc(CC(C)C)ccc1-c1ccc(Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEKPELSFCDOQBA-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJDOSNZZIULHS-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL157946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPKQIEZLHVGJQH-ZXVJYWQYSA-N", "SMILES:Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSDMWAFZUOXBD-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(NCc3ccccc3O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTRIOHGFYUMXEM-RGVLZGJSSA-N", "SMILES:O=c1oc2cc(/N=C/c3ccccc3O)ccc2c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCEGQDAYHXMRMT-VXLYETTFSA-N", "SMILES:Cc1c(C)c2ccc(/N=C/c3ccccc3O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL673", "category": ["biolink:ChemicalEntity"], "name": "PARGYLINE", "xref": ["InChIKey:DPWPWRLQFGFJFI-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1ccccc1"], "synonym": ["Pargyline", "Pargyline", "Pargyline", "Pargilina", "Eutron"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3394764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXXPAORMIDACS-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cn(CC(O)CN2CCCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1984730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKBYULAWXQAMBX-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc(Br)c1O"]}
{"name": "Histone chaperone ASF1A", "xref": ["CHEMBL.TARGET:CHEMBL3392950"], "id": "UniProtKB:Q9Y294", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCQPCFYXQGEGY-IKGOIYPNSA-N", "SMILES:COc1ccc(-c2cc([C@@H](O)[C@@H]3CCCCN3)c3ccccc3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXGNMJMSYCSRAM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQZBYCHVJMDDI-QHDYCIAZSA-N", "SMILES:O=C(/C=C(\\O)C(=O)N1CCN(c2ccc(-n3cccc3)cc2)CC1)c1cc(Cc2cc(F)cc(F)c2)cn(Cc2ccccc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIMOPCYBPYQLCM-UHFFFAOYSA-N", "SMILES:CCN(CCCCNC(=O)c1cc(=O)c2c(O)cccc2o1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUJWWEPVYORFJP-YWBUYCSRSA-N", "SMILES:C=C1[C@@H](OC/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)[C@]4(C)OC[C@]3(C)[C@@H](CC4=O)[C@@H](OC(C)=O)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3397068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPPXMKKJYNRZBA-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(O)c(O)c1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCPMAHTVVPYWPV-UHFFFAOYSA-N", "SMILES:COC(=O)CCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDZYZILZFWKXGN-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)CCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDJFIUVOFCYFF-UHFFFAOYSA-N", "SMILES:COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)NC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVABXXHXRVMFOZ-DHFPXDALSA-N", "SMILES:COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUWUESCHMQVOMB-UHFFFAOYSA-N", "SMILES:CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)NC2CCCCCC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFJYYBSYWLXBV-LBZQVFOQSA-N", "SMILES:CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFJYYBSYWLXBV-CXGRPWHSSA-N", "SMILES:CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL154716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPVTZSGWKGUMLH-JYFOCSDGSA-N", "SMILES:O=C1/C(=C/c2ccccc2)CNC/C1=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPHKCZAMKYHQT-UFSUQUSASA-N", "SMILES:CCCCCCCCCCCC(=O)N1C/C(=C\\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3338598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAOXKRXVHDKMOQ-JFMUQQRKSA-N", "SMILES:CCOC(=O)c1ccc(/C=C2\\CNC/C(=C\\c3ccc(C(=O)OCC)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUSNBBQGVMWCX-NFHPJVLCSA-N", "SMILES:CCCCCCCCCCCC(=O)N1C/C(=C\\c2ccc(C(=O)OCC)cc2)C(=O)/C(=C/c2ccc(C(=O)OCC)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1629985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJTXXPUSSOVJDM-KAVGSWPWSA-N", "SMILES:O=C1/C(=C/c2ccncc2)CNC/C1=C\\c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUJNYSXICQTFT-CRYYDKFDSA-N", "SMILES:CCCCCCCCCCCC(=O)N1C/C(=C\\c2ccncc2)C(=O)/C(=C/c2ccncc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOMVRGGNYTQFB-DPIBHUQISA-N", "SMILES:CCCCCCCCCCCC(=O)N1C/C(=C\\c2ccco2)C(=O)/C(=C/c2ccco2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGFQNFXYCMDILM-UFSUQUSASA-N", "SMILES:CCCCCCCCCCCCCC(=O)N1C/C(=C\\c2ccncc2)C(=O)/C(=C/c2ccncc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGFYFVLQYQZGC-GEECTANVSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N1C/C(=C\\c2ccccn2)C(=O)/C(=C/c2ccccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNOONVGPGGQOIR-MKICQXMISA-N", "SMILES:O=C1/C(=C/c2ccco2)CNC/C1=C\\c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYIJQXDRBKHBG-UHFFFAOYSA-N", "SMILES:CC(=O)OCc1ccc(COC(C)=O)o1"], "chembl_natural_product": true}
{"name": "Cytochrome c", "xref": ["CHEMBL.TARGET:CHEMBL3396942"], "id": "UniProtKB:P62894", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGYCCVTZQKFPI-XTXBUMIZSA-N", "SMILES:CCCC(=O)OC1O[C@H](CO)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQPFLVAVHFJMK-UHFFFAOYSA-N", "SMILES:c1ccc(CC2CCN(CCCNCc3cccnc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1512355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUBTSPIIFYCIU-UHFFFAOYSA-N", "SMILES:O.O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12"]}
{"name": "DNA-3-methyladenine glycosylase", "xref": ["CHEMBL.TARGET:CHEMBL3396943"], "id": "UniProtKB:P29372", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZXGYNOCALWTNL-AHWVRZQESA-N", "SMILES:COc1cc([C@@]2(O)CCN(C)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPQQVIBGBMPDZ-YKSBVNFPSA-N", "SMILES:COc1cc([C@H]2CCN(CCO)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPQQVIBGBMPDZ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(CCO)CC2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTAOFNATLIOTI-XMPJBLIUSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTAOFNATLIOTI-YBEDAUBBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQGELXCYSCDQF-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(C3=C(c4nnc5ccccn45)C(=O)NC3=O)cn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCGLHMGDLKIXMZ-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYWNZSBAIIEGU-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEMGOQKRKZNLG-UHFFFAOYSA-N", "SMILES:CCCCn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTYIWUCMIWVTLG-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGINVPICCDABE-UHFFFAOYSA-N", "SMILES:Cc1cn(Cc2ccc(O)c(-c3ccccc3)c2)c2ccc(OCC(=O)O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOKOJENSUKYOGS-UHFFFAOYSA-N", "SMILES:O=C(O)CC1Oc2ccccc2-c2ccc3c(c21)C(=O)C(=O)N3Cc1ccc(C(F)(F)F)cc1"]}
{"name": "Oligo-1,6-glucosidase IMA1", "xref": ["CHEMBL.TARGET:CHEMBL5848"], "id": "UniProtKB:P53051", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZITWLMOHPIKY-JZZLMMGGSA-N", "SMILES:C/C(=C\\c1ccc(C2(C(F)(F)F)N=N2)cc1O)C(=O)NCCNP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"name": "Glutamate dehydrogenase 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4628"], "id": "UniProtKB:P00366", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPOXYYRHFMGIU-JZZLMMGGSA-N", "SMILES:C/C(=C\\c1ccc(C2(C(F)(F)F)N=N2)cc1O)C(=O)NCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPMGKFDBYFFIG-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPQCGGLMXTKGQ-DXQPUELMSA-N", "SMILES:CCOC(=O)CC/C(C(=O)/C=C/c1ccc(O)c(OC)c1)=C(O)\\C=C\\c1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQHBAUYEIFLTRU-XVVYLEPSSA-N", "SMILES:O=C(/C=C(O)/C=C/c1ccc(O)c(O)c1)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHUFGAUQMNSCC-PFIXIAJHSA-N", "SMILES:CCOC(=O)CC/C(C(=O)/C=C/c1ccc(O)c(O)c1)=C(O)\\C=C\\c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBAPRBRNGUWBZ-CACAFQFOSA-N", "SMILES:CCOC(=O)CC/C(C(=O)/C=C/c1ccc(O)c(OC)c1)=C(O)\\C=C\\c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBXDAPYUFNDGT-QDUGDBSPSA-N", "SMILES:COc1ccc(/C=C/C(=O)/C(C)=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQLNQIUSPDVHD-OEJNIYAVSA-N", "SMILES:COc1cc(/C=C/C(=O)/C(C(C)=O)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPLMAHIAVJBIZ-GPYBEYRKSA-N", "SMILES:CCOC(=O)CC/C(C(=O)/C=C/c1ccc(OC)c(OC)c1)=C(O)\\C=C\\c1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXZXCVIUIHXHC-XABMMXARSA-N", "SMILES:COc1cc(OC)c(OC)cc1/C=C/C(O)=C/C(=O)/C=C/c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTWDWWICSPMDP-NOUXXJRYSA-N", "SMILES:COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLQBGAEMHPOLS-NUUTUOHJSA-N", "SMILES:COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJGWKUNALQVAIJ-CTQUXGOISA-N", "SMILES:COc1cc(OC)c(OC)cc1/C=C/C(=O)/C=C(O)/C=C/c1cc(OC)c(OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVUXCGIOODZLPV-KUIVXDIFSA-N", "SMILES:COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494826", "category": ["biolink:ChemicalEntity"], "name": "METHYLCURCUMIN", "xref": ["InChIKey:MXGYVBOZRLQICP-VUSYVUDMSA-N", "SMILES:COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OC)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3402867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEZVSSJVUHLHOM-GPNFXWCKSA-N", "SMILES:COc1cc(F)c(/C=C/C(=O)/C=C(O)/C=C/c2cc(OC)c(OC)cc2F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQQIDBXMBJRXIC-YHFUYCOGSA-N", "SMILES:CCOC(=O)CC/C(C(=O)/C=C/c1cc(O)c(OC)c(OC)c1)=C(O)\\C=C\\c1cc(O)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVBZOXNPBECDO-SMZLOBJWSA-N", "SMILES:COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(O)c(O)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXHSCFLEHMEYIE-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2nc(C(=O)c3ccc(O)c(OC)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRKSIULMLZMQI-XSFVSMFZSA-N", "SMILES:C/C(CCc1ccc(OCc2ccccc2)cc1)=N\\NC(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWVJBUGMUYRZEE-CPNJWEJPSA-N", "SMILES:C/C(Cc1ccc(OCc2ccccc2)cc1)=N\\NC(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTYVLRZWGHGRPI-SFHVURJKSA-N", "SMILES:O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1729464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCVKLWHONNUJM-SFHVURJKSA-N", "SMILES:O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABGUYBZNZATRX-ACHIHNKUSA-N", "SMILES:O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJAPJCTKKWSCJ-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2cccc(N(C)S(=O)(=O)CCCNCCCCCC(=O)N3CCN(c4nc(N5CCOCC5)nc(-n5c(C(F)F)nc6ccccc65)n4)CC3)c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJJSKZAMYJRCX-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(CNc3c4ccccc4nc4ccccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVBTSCHWDLTPZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGVCNOJZYYDGHS-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHHFBVIZRSSIGS-UHFFFAOYSA-N", "SMILES:Fc1cc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAHXLSXDMVEUQW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NCc3nc4ccccc4[nH]3)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVHWONHTGRQTM-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(NCc3nc4ccccc4[nH]3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHUGVLTXXFULJ-UHFFFAOYSA-N", "SMILES:COc1cccc2c(NCc3nc4ccccc4[nH]3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGHQZDHHNLISA-UHFFFAOYSA-N", "SMILES:Clc1ccc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCRYEZLPKHDCO-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(NCc3nc4ccccc4[nH]3)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJXMQVRQCQXBG-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(NCc3nc4ccccc4[nH]3)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCLNNLTACVRFF-UHFFFAOYSA-N", "SMILES:CCc1ccc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWVEIMVADFGIW-UHFFFAOYSA-N", "SMILES:CCCCc1ccc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHVPEJHQKBCJX-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(Nc3c4ccccc4nc4ccccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVOHERHKLIIHB-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(Sc3c4ccccc4nc4ccccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLFPVBHSJMOQH-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(-c3ccc(Nc4c5ccccc5nc5ccccc45)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBXUKBMAQXTOC-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3ccccc3c(Nc3nc4ccccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTLFTFZAXPLRW-UHFFFAOYSA-N", "SMILES:COc1cccc2c(Nc3nc4ccccc4[nH]3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOVHIYWGUGLROM-UHFFFAOYSA-N", "SMILES:CN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLUJQDKKXIFDMY-XWNJIUHMSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)Cc6cn[nH]c6[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEJHJYEKQDOQE-SCAHIRPMSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](N)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMAOZISSGEBEC-WDWUOOHGSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C(F)(F)F)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZYRPYKICPTEKS-BNWOMLOISA-N", "SMILES:CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHUTLCHPOGZHQ-BCDBGHSCSA-N", "SMILES:CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLJTCVAAOWHTD-XRZGVHHMSA-N", "SMILES:COC(=O)[C@]1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3403874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMBDUGUBNUJHAR-UHFFFAOYSA-N", "SMILES:COc1cc2oc(-c3ccc(OCC(=O)NCCCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)cc3)cc(=O)c2c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAULESOQOUCCBS-UHFFFAOYSA-N", "SMILES:Cl.S=C(NCCCNCCCCCNCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOUWFAPOSBCODT-UHFFFAOYSA-N", "SMILES:Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFZQRFZCVZFHG-UHFFFAOYSA-N", "SMILES:Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJECHNMUFBKSAD-CFTJIMITSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(-c3ccc(-c4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNTHEWUATXZJFO-HJDLPQOGSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(-c3ccc(C#N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBPAJBPGFRUQEM-HJDLPQOGSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(-c3ccc(OC)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVSLTZFGWIJQV-LGDGZXMBSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(-c3ccc(C)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKIBCVDDUJPHH-RNVUVDCTSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAJPQYNYZGTELC-RNVUVDCTSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(C3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMNVGXBHPSEWHP-XFIXFYESSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRHPYCKCYIJGNR-RNVUVDCTSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(-c6ccccc6)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARAMLEWYFQGZCJ-IHYSPHHHSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(C#N)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCFZFQVPIKFKAM-IHYSPHHHSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(OC)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIVOJRIYZBKAGN-XFIXFYESSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(I)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFTVGWHCSXRDF-XFIXFYESSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5cc(Br)ccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTQBXUQMXQEIS-XFIXFYESSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(Br)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKPBYYWYAEGQM-XFIXFYESSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(Cl)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQQWXJSNJKSJE-XFIXFYESSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(F)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCSJEKOVHMDPH-KNQAVFIVSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1cc2ccccc2nc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJSZOUAXHYVJE-OFNKIYASSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1cc2cc4c(cc2nc1-3)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQMVNXLLRNVCB-KNQAVFIVSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1cc2cc(O)ccc2nc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBAXMVLNMOKXJQ-UHSQPCAPSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC(C)=O)Cc1c-3nc2ccc(OC)cc2c1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTAWFZZGUNKDZ-NAKRPHOHSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1c-3nc2ccc(OC)cc2c1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPSXZZTGPKPNP-SQHAQQRYSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1c-3nc2ccccc2c1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPAXUZFELOGEOR-OFSOJUDTSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC(C)=O)Cc1c-3nc2ccc(OC)cc2c1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWULOYHXKOLRFF-UHSQPCAPSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC(C)=O)Cc1c-3nc2ccccc2c1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAARGCOVTICLDF-UHSQPCAPSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1c-3nc2ccc(OC)cc2c1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRTTYIORGOFQN-NAKRPHOHSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1c-3nc2ccccc2c1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBUKBMHUGFHQL-SQHAQQRYSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC(C)=O)Cc1c-3nc2ccccc2c1-c1cn(C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMICAEZJJSAVHP-BVAGGSTKSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1c-3nc2ccccc2c1-c1cn(C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNMWCZJIUYTOP-NAKRPHOHSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1c-3nc2cc3c(cc2c1-c1ccncc1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUNFVQNIVAGDCO-AXRKSZSQSA-N", "SMILES:CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1c-3nc2cc3c(cc2c1-c1ccncc1)OCO3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHCVZFFIXCRHR-LAOOXSSFSA-N", "SMILES:C[C@H](C[C@H](C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMIXAXLPZCFFCG-BQWNBIDXSA-N", "SMILES:C[C@H](C[C@H](C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSINOMROUCMIEA-CHNSCRKXSA-N", "SMILES:CC[C@H]1[C@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C)C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3401354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUBRRGBGULBMO-NCIUOPSMSA-N", "SMILES:CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C)C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMIXAXLPZCFFCG-PKPLUMIQSA-N", "SMILES:C[C@H](C[C@H](C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKMYKLPTESHNIX-ATVHPVEESA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(OCCCc3ccccc3)c(Br)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZLYHHWMKIEGP-UHFFFAOYSA-N", "SMILES:CC1(C)C=Cc2c(cc(O)c3c(=O)c4c5c(ccc4oc23)OC(C(C)(C)O)C5)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517514", "category": ["biolink:ChemicalEntity"], "name": "GERONTOXANTHONE A", "xref": ["InChIKey:YNHZDINWEJCMRF-UHFFFAOYSA-N", "SMILES:CC1Oc2cc3oc4c(O)c5c(cc4c(=O)c3c(O)c2C1(C)C)C=CC(C)(C)O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL478938", "category": ["biolink:ChemicalEntity"], "name": "GERONTOXANTHONE B", "xref": ["InChIKey:LGFMLQQVQWNWFN-UHFFFAOYSA-N", "SMILES:C=CC(C)(C)c1c(O)cc2oc3c(O)c4c(cc3c(=O)c2c1O)C=CC(C)(C)O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL514057", "category": ["biolink:ChemicalEntity"], "name": "GERONTOXANTHONE H", "xref": ["InChIKey:VGCAJFOJSSFOSL-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)cc(O)c2c(=O)c3c(CC=C(C)C)c(O)ccc3oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3400678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAFMSVUQOALWDN-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)ccc2oc3c4c(cc(O)c3c(=O)c12)OC(C)(C)C=C4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3402297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNYWYCCLRXNZRJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCNC1CCN(Cc2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMNWHBQHDKPDIW-HLXLPKMUSA-N", "SMILES:Nc1nc(Cl)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKFWLYRWTWQDEB-JTSVONRASA-N", "SMILES:N#Cc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTQPBWAOFWYSA-HLXLPKMUSA-N", "SMILES:Nc1nc(N)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTISBMQYTHNPMM-NKBRHBOISA-N", "SMILES:COc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZXCIBRWWRNGNP-GFCLTOETSA-N", "SMILES:Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOUOYTKZTYTZGM-VGKMCQHDSA-N", "SMILES:Cc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCIDYSUOSABQPF-NRXFTUCASA-N", "SMILES:CCc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKRIQTHNKCPHKX-HOLCONJYSA-N", "SMILES:Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJJUGZYXZFRJS-HLXLPKMUSA-N", "SMILES:Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZQHOFBOAXUNG-FOZNTRSISA-N", "SMILES:CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFDBQKWISPVLM-CPUCHLNUSA-N", "SMILES:CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2CC[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEQXKNUSGSEDG-CABCVRRESA-N", "SMILES:CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@H]2CC[C@@H](CO)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYRUYWQHQBHPE-UHFFFAOYSA-N", "SMILES:CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUNYGYOXBIXUGQ-LRHNDGHRSA-N", "SMILES:Cc1nc(NCC2CC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHPDRMINATQTP-ZRJCITRHSA-N", "SMILES:Nc1ncc(-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYQNKWUJJSDME-STRQVWJDSA-N", "SMILES:Nc1ncc(-c2ccccn2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMMOWKHZDYFVMV-GFCLTOETSA-N", "SMILES:Nc1ncc(-c2nc3ccccc3o2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXHSKGFMSMGYDS-VHIFSBLJSA-N", "SMILES:Cn1c(-c2cnc(N)nc2N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCDZUNOWISWOL-PUYANOKMSA-N", "SMILES:Nc1ncc(-c2nc3cccnc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUJKLNZYJCYDJM-SDTWEEQHSA-N", "SMILES:Nc1ncc(-c2nc3ccncc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZKDXPVNICAUHN-HLXLPKMUSA-N", "SMILES:Nc1ncc(-c2nc3cnccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVPIJIALAKMAL-VGKMCQHDSA-N", "SMILES:Nc1ncc(-c2cnc3ccccn23)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIQAGRYFBMLQE-AHBIMHKDSA-N", "SMILES:Nc1ncc(-c2ccc3ccccc3n2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSJWBXVVFXHFA-QQRDMOCMSA-N", "SMILES:Nc1ncc(-c2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDFVOZWPDXFWCW-CUBALJKWSA-N", "SMILES:Nc1ncc(-c2nc(-c3ccccc3)cs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXQOHKEGLYNRD-CUBALJKWSA-N", "SMILES:Nc1ncc(-c2ncc(-c3ccccc3)s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFONLZQROGEJE-PREXVCJDSA-N", "SMILES:CCCNc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZILDGWCJGNJX-QVDUIBETSA-N", "SMILES:COCCCNc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUZJGVTUQZHBJE-QVDUIBETSA-N", "SMILES:OC[C@H]1C[C@@H](Nc2nc(NCC3CC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USYCAUJTGZXIPE-PTFKWJCZSA-N", "SMILES:OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVFLICFXUXVOID-HSGBFHSBSA-N", "SMILES:OC[C@H]1C[C@@H](Nc2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBSLUFAJRNDJPN-WTMJQUOKSA-N", "SMILES:OC[C@H]1C[C@@H](Nc2nc(NC3CCOCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLSRRLZMMDJLX-HSGBFHSBSA-N", "SMILES:OC[C@H]1C[C@@H](Nc2nc(Nc3ccccc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKNNBPYGFYJDN-HSGBFHSBSA-N", "SMILES:Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHBSXFHWXHECR-STCFGPAYSA-N", "SMILES:Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMCIGGGPTWBNN-PTFKWJCZSA-N", "SMILES:OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVWVAJOMQEGKF-HSGBFHSBSA-N", "SMILES:Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBSQQFINRIFQBO-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)NCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJLPHFCQVSFAD-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)NCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDBURBJSGGQIIE-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)NCCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQADIWXHQYQOOA-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)NCCOCCOCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOWLQRSLBZKASM-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOURXVFSQGNTBS-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOC(CNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)C3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOOLLEBJNGCDOZ-FQEVSTJZSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFODGATVPKMEPG-UHFFFAOYSA-N", "SMILES:CCc1ccc(Cl)cc1-n1cc(-c2cc(N)ncn2)cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYWUHPGPXHNDRC-UXBLZVDNSA-N", "SMILES:C=C(C)C(=O)Cc1c(OC)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3402566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUEJXGMJCAGRKX-UHFFFAOYSA-N", "SMILES:COCC(=O)n1ccc2cc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)ccc21"]}
{"name": "Scavenger receptor class B member 1", "xref": ["CHEMBL.TARGET:CHEMBL1741203"], "id": "UniProtKB:Q61009", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDQRHQQBUNRAZ-SXPVBFGNSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPFBVXDBJYDANE-UFPKBUBJSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@](C)(CC)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORXQDZSBPVIMG-PTHAJQOJSA-N", "SMILES:C=CC[C@@]1(C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPFBVXDBJYDANE-ZBZBJQOTSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@](C)(CC)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDDPYVMKXUAFQU-RORIVPEZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCQBKTKLIIHUDI-ZISKPHRNSA-N", "SMILES:CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHCLIAKWXOWSM-FHBBHDEPSA-N", "SMILES:CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXSYVJWILUOTA-CXRJXKPCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYEPNTNZDYZOEW-KFCHSPKMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZRMIDKNULPJQ-KOOVYZLPSA-N", "SMILES:CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWYBFUSRTVGJT-VFSYCAFCSA-N", "SMILES:CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDEHTDCMQAETDG-VEXACJQUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUKGKRIBDLUDF-JDVMPVHBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICPFYSHAIPVIJP-GLGNIYDJSA-N", "SMILES:CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXHLTAGBIBXIOA-JAIXJOSVSA-N", "SMILES:CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZLGUMDOLZWGNX-PXUFZEFKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXOOITZPPFWJQZ-RBDAYBTASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSTAUQJRYUHERG-TYOZMLLOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZJLBTZERSBAOM-TYOZMLLOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITMHWMLDHYKDY-MHKUTCSCSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMEMLXDTLKSUOD-OGCOPIPOSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266963", "category": ["biolink:ChemicalEntity"], "name": "COMPSTATIN", "xref": ["InChIKey:RDTRHBCZFDCUPW-KWICJJCGSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQAGVQVBDHOHRD-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYMWDMDUXLTZON-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4Cl)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCTYQNFVGRNXDM-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDDQSLWJFYWBY-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(Oc4ccccc4O)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1958071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANTGAFQZQJMDNP-OAHLLOKOSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC[C@@H]1C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1958070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANTGAFQZQJMDNP-HNNXBMFYSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC[C@H]1C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3410292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQKHQSSCKNTKN-UHFFFAOYSA-N", "SMILES:Cn1c(NCC(P(=O)(O)O)P(=O)(O)O)nc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCZFJEHMSDBRJQ-UHFFFAOYSA-N", "SMILES:CC(C)C(C)c1[nH]c2ccc(-c3ccccc3)cc2c1CC(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYZSQTNWVOFBOT-UHFFFAOYSA-N", "SMILES:CC(c1[nH]c2ccccc2c1CC(P(=O)(O)O)P(=O)(O)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPHHMBIKIGOQPS-UHFFFAOYSA-N", "SMILES:CC(C)C(C)c1[nH]c2ccccc2c1CC(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOPZNBLHBZYEP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1[nH]c2ccccc2c1CC(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTFFRRPEHQSGM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1CC(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWYMKZQDIBOARC-UHFFFAOYSA-N", "SMILES:Cc1c(CC(P(=O)(O)O)P(=O)(O)O)c2ccccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKVJOFSLDTSMA-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(CC(P(=O)(O)O)P(=O)(O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWXYXHLQWJZEO-UHFFFAOYSA-N", "SMILES:CCn1cc(CC(P(=O)(O)O)P(=O)(O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZDQAKUMZIRBC-UHFFFAOYSA-N", "SMILES:Cn1cc(CC(P(=O)(O)O)P(=O)(O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL923", "category": ["biolink:ChemicalEntity"], "name": "RISEDRONIC ACID", "xref": ["InChIKey:IIDJRNMFWXDHID-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O"], "synonym": ["Risedronic acid", "Risedronic acid", "Acide risedronique", "Acido risedronico", "Risedronic acid", "Ridron", "Risedronate", "Risedronic acid", "M05BA07"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3408732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVRNLIDCXUVHE-XFQWPLCWSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N(Cc2ccccc2)CC(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVVPLDTDILEGK-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2/C1=N/Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254649", "category": ["biolink:ChemicalEntity"], "name": "COCHINCHINENIN C", "xref": ["InChIKey:SLJWKFROLINAGW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CCc2ccc(O)cc2OC)c2cc(CCC(=O)c3ccc(O)cc3)c(OC)cc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL253779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSAIVLRELNGZEY-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(=O)c2ccc(O)cc2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL353584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBDEZLIENWAAA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYWJIIBKPLFSS-PXQJOHHUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)O"]}
{"name": "Formyl peptide receptor-related sequence 1", "xref": ["CHEMBL.TARGET:CHEMBL3407315"], "id": "UniProtKB:O08790", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDOATJLGCTQBE-KAVGSWPWSA-N", "SMILES:O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CC(O)C/C1=C\\c1ccc([N+](=O)[O-])cc1"]}
{"name": "Ubl carboxyl-terminal hydrolase 18", "xref": ["CHEMBL.TARGET:CHEMBL3407317"], "id": "UniProtKB:Q9UMW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSAMIOWVUGBIJK-KAVGSWPWSA-N", "SMILES:O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\\c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRDXWBLAQJSCRD-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(Nc3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLICOCXPNQJPC-KRWDZBQOSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOAUCZIIQFZMI-NRFANRHFSA-N", "SMILES:O=C(NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNILTJHYOHFXJI-IBGZPJMESA-N", "SMILES:CNc1ccc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITAOFSSOVNYZCS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHEQUDHSBLIGIK-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1c2c(c3cc(-c4ccc(S(C)(=O)=O)cc4)ccc31)CNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFSKIZVJOMGAR-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRFKYKXCABZPS-HSZRJFAPSA-N", "SMILES:Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CCNC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJIOJKXJNPLGIE-HFFYJQMTSA-N", "SMILES:CC(=O)N[C@@H](CCCO/N=C/c1cnc(O)c(C#N)c1Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAWMYCWIWAPQY-CKIYZWFUSA-N", "SMILES:CC(=O)N[C@@H](CCCO/N=C/c1c(C)nn(C)c1N1CCOCC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDCJQQWMKMDPX-UHFFFAOYSA-M", "SMILES:CCCCN1/C(=C/C=C(Br)/C=C/C2=[N+](CCCC)c3ccc(Br)cc3C2(C)C)C(C)(C)c2cc(Br)ccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGYZTGPTYDRMQ-CONSDPRKSA-N", "SMILES:Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCCCc3ccccc3)C[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWOKAJPKRJZCMY-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c4ccccc4c(=O)cc-3n(CCCN(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEJNHZANNDNXMD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)cc3n(CCCN(C)C)c4ccccc4nc-3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSFSAPDPSRLLMX-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVPHTHKPAZDJSN-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSYXTYILJBLNPB-UHFFFAOYSA-N", "SMILES:CN1CCN(CCn2c3cc(=O)c4ccccc4c-3nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMWWJCZPSBLKKN-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c2cc(=O)c3ccccc3c-2nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGKXCFFJNBRRA-UHFFFAOYSA-N", "SMILES:O=c1cc2n(CCCN3CCCCC3)c3ccccc3nc-2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNZNTKXOPUXAV-UHFFFAOYSA-N", "SMILES:O=c1cc2n(CCN3CCCCC3)c3ccccc3nc-2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLFOYDDCPBIPV-UHFFFAOYSA-N", "SMILES:COc1ccc2c3nc4ccc(OC)cc4n(CCCN(C)C)c-3cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXYQMQHDPKUMP-IBGZPJMESA-N", "SMILES:Cc1ccccc1C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBFRKBFPMDGTP-SFHVURJKSA-N", "SMILES:COc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](Cc3ccccc3)N2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEAJZIHVSPTQIQ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1ccc(NCc2ccncc2)c2c(=O)c3ccccc3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXMAOKIRDFXSY-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)c3c(NCc4ccccn4)ccc(C(=O)NCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJNGULDCPQIHG-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)c3c(NCc4cccnc4)ccc(C(=O)NCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLGUMPXXUZHRQM-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)c3c(NCc4ccncc4)ccc(C(=O)NCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIHMKEPBLNIKCN-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)c3c(NCc4ccccn4)ccc(C(=O)NCCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDTOAAPDAXSUJS-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)c3c(NCc4cccnc4)ccc(C(=O)NCCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGQPCYJRXDXMJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)c3c(NCc4ccncc4)ccc(C(=O)NCCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYVMBVMJMQWPF-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(NCc4ccccn4)ccc(C(=O)NCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABYUJUKELFTOAE-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(NCc4cccnc4)ccc(C(=O)NCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHFDWHZLHVJRC-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(NCc4ccncc4)ccc(C(=O)NCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQPLLUHJSLUCGC-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(NCCc4ccncc4)ccc(C(=O)NCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRUQTYDSOJCFHW-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(NCc4ccccn4)ccc(C(=O)NCCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJNUWRPTYGCCF-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(NCc4cccnc4)ccc(C(=O)NCCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJIIQZIRQJBZOE-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(NCc4ccncc4)ccc(C(=O)NCCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWPFCDQHYRSII-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(NCc4ccncc4)ccc(C(=O)NCCCCN(C)C)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYXZXYPCRQDOGL-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1ccc(NCc2ccncc2)c2c(=O)c3cccc(C(F)(F)F)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAANJGVEIFKOCE-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1ccc(NCc2ccncc2)c2c(=O)c3cc(Cl)cc(Cl)c3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDDZIHWZPPHKF-NSHDSACASA-N", "SMILES:N=C(CF)NCCC[C@H](NC(=O)c1ccccc1C(=O)O)c1nn[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTGZQAOOLSUBGT-AWEZNQCLSA-N", "SMILES:CC(C)(C)n1nnc([C@H](CCCNC(=N)CF)NC(=O)c2ccccc2C(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYXNKSBOYVHUFU-AWEZNQCLSA-N", "SMILES:CC(C)(C)n1nnc([C@H](CCCNC(=N)CCl)NC(=O)c2ccccc2C(=O)O)n1"]}
{"name": "Protein-arginine deiminase type-4", "xref": ["CHEMBL.TARGET:CHEMBL3407322"], "id": "UniProtKB:Q9Z183", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVZMKABKWWTHX-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXFOLOGRGMELZ-UHFFFAOYSA-N", "SMILES:Cc1c(N)cc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJJIVPNEQZRJR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVXATUJJDPFDM-KRWDZBQOSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUVUVNZRUGEAHB-CYBMUJFWSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12"], "synonym": ["GSK1210151A"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFRTJBVIMIQHF-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVKHBOWZIKQGJM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTOSVKVJWUSOTJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2376760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNLNRENPKAQTMJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(N)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSJYYIRAFRPIT-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(O)cc2)cs1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1585539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOKJBHBMAGBIP-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL172066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTXQOROHFFYFMC-UHFFFAOYSA-N", "SMILES:Cc1sc(N)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTXFLYFZOMYSF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)sc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAFPFEWXCCYGOX-UHFFFAOYSA-N", "SMILES:CN1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCALEXDZEAGCPD-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2csc(N)n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3410178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWQWEQGANDQFS-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2csc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSTSMWRMFXIWCT-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(O)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWXFHZAXVHMHQ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1716073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARLHWYFAPHJCJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(N)n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3410181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIUUKEZVLWNMFF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2csc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1699726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKJVQJOAXVWNL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1csc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1308777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHHILITQUEDDC-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(F)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYAAMOSMVGVCBY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2F)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYAHAIVZFRFEBU-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDBATBJNFVJCB-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(C(F)(F)F)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOADFQOSPEYMB-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2C(F)(F)F)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1444417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPVVEXKDPBRGIK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMMWUVARLSQFR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2csc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2297470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVVAVWNGAFFCNW-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL369449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LARKPJHOVACKEM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)sc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUDKFQSYTBBEGL-UHFFFAOYSA-N", "SMILES:Cc1sc(N)nc1-c1ccc(C(F)(F)F)cc1"]}
{"name": "SPRY domain-containing SOCS box protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3325308"], "id": "UniProtKB:Q99619", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJUKQLMOOVGOC-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(S(N)(=O)=O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSJLPAOBIGQPK-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)cs1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3408645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECHHDJTILFYQT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXWPDRNLXLKJH-YBFXNURJSA-N", "SMILES:C/C(=N\\NC(N)=S)c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POMQYEYUUKGEBF-YBFXNURJSA-N", "SMILES:C/C(=N\\NC(N)=S)c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQPQAUMWVMDRCN-NSHDSACASA-N", "SMILES:Nc1nc2[nH]cc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLRJTWXBYRMGEB-LBPRGKRZSA-N", "SMILES:Nc1nc2[nH]cc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440084", "category": ["biolink:ChemicalEntity"], "name": "SB-431542", "xref": ["InChIKey:FHYUGAJXYORMHI-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3410226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTSIBNBDWBQOSA-VMZWHVCESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXWLNPUQPASIHW-OOXKGWPCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSVDFNDDUIRPE-RHCMGCFZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCZUEUPSJKHGB-UHFFFAOYSA-N", "SMILES:CSc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1"]}
{"name": "Pantothenate kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL3407328"], "id": "UniProtKB:Q9H999", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGGLRAWFUJMQBN-HXUWFJFHSA-N", "SMILES:O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLAHZAHALVQKF-AQPYCOETSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWIXYHYMTKUOAF-UHFFFAOYSA-N", "SMILES:Cc1c(S(N)(=O)=O)cc2c(c1C)OC(C)(CCCC(C)C)CC2"]}
{"name": "PH domain leucine-rich repeat-containing protein phosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL3414405"], "id": "UniProtKB:O60346", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDUXUTVXIXQZCH-UHFFFAOYSA-N", "SMILES:CCN1C(=O)C=C(c2cccc(C(N)=O)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZRIPJXOMUAPT-HSZRJFAPSA-N", "SMILES:O=S(=O)(Cc1ccccc1)N1Cc2ccccc2[C@@H]1c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCOHEPDJLXZVBZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1ccccc1)N1C=Cc2ccccc2C1c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIPPYYQACBCRLZ-ZZXKWVIFSA-N", "SMILES:O=C(CCCCCCN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSGRHLVKBVAVEG-XZOQPEGZSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)[C@@]1(O)c3ccccc3C(=O)[C@@]21O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYWLIQEXKYKLI-UHFFFAOYSA-N", "SMILES:COCCn1cc(C)cc(Nc2ncnc3sc(C(N)=O)c(C)c23)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSJFJXIKCSINLE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVHUSSZJFHMVIB-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZXWCBRVCVILS-UHFFFAOYSA-N", "SMILES:Nc1nc2ncc(CNc3ccc(C(=O)NCCCCCCCC(=O)NO)cc3)nc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKBZGYHEWRDAU-UHFFFAOYSA-N", "SMILES:Nc1nc2ncc(CNc3ccc(C(=O)NCCCCCCC(=O)NO)cc3)nc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXRBKWTYAMJCH-UHFFFAOYSA-N", "SMILES:Nc1nc2ncc(CNc3ccc(C(=O)NO)cc3)nc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018302", "category": ["biolink:ChemicalEntity"], "name": "TUBASTATIN A", "xref": ["InChIKey:GOVYBPLHWIEHEJ-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXXGDBDNPIPTRF-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERFFPJDBQMQTN-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2ccc(Nc3ncc(Br)c(NC4CCCC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGVFWOTLAPAHB-QTNJPTFUSA-N", "SMILES:CCOc1ccc2c(c1)OC/C(=C\\c1ccc(OCCN3CCCCC3)cc1)C2=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4296718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZVGDGTWNQAPW-UHFFFAOYSA-N", "SMILES:Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)cn1"]}
{"name": "Bromodomain adjacent to zinc finger domain protein 2A", "xref": ["CHEMBL.TARGET:CHEMBL3108642"], "id": "UniProtKB:Q9UIF9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPITTNVHXHWFF-KOXALAKDSA-N", "SMILES:CCCCCCCCN1C(=O)O[C@H]2C(=C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)[C@@H]1c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKLMWZQHWLWZOE-AWEYCKGRSA-N", "SMILES:CCCCCCN1C(=O)O[C@H]2C(=C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)[C@@H]1c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSAJGPHYYXBBU-LUORGDDHSA-N", "SMILES:CCCCN1C(=O)O[C@H]2C(=C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)[C@@H]1c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWHBARGSMMIKH-IRLAHJGPSA-N", "SMILES:CCN1C(=O)O[C@H]2C(=C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)[C@@H]1c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMONXLOUYNSGF-MRBMDYKCSA-N", "SMILES:CCCCCCCCN1C(=O)O[C@@H]2[C@@]3(C)CC[C@@H]4c5ccc(O)cc5CC[C@H]4[C@@H]3C[C@]2(O)[C@@H]1c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANHNKOMGDLCPI-NTUZMWDKSA-N", "SMILES:CCCCCCN1C(=O)O[C@@H]2[C@@]3(C)CC[C@@H]4c5ccc(O)cc5CC[C@H]4[C@@H]3C[C@]2(O)[C@@H]1c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAXFNMKCSMTPR-CVSMMKDLSA-N", "SMILES:CCCCN1C(=O)O[C@@H]2[C@@]3(C)CC[C@@H]4c5ccc(O)cc5CC[C@H]4[C@@H]3C[C@]2(O)[C@@H]1c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLDYCFKUCNVJIN-GMWBQBCISA-N", "SMILES:CCN1C(=O)O[C@@H]2[C@@]3(C)CC[C@@H]4c5ccc(O)cc5CC[C@H]4[C@@H]3C[C@]2(O)[C@@H]1c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBMUGYFNOQVHS-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVMUXOWCRXLJPW-UHFFFAOYSA-N", "SMILES:O=c1ccc(-n2ccc3ccc(F)cc32)nn1CCOc1ccnc2cc(OCCCN3CCOCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRSPGUAACCFTI-DHZHZOJOSA-N", "SMILES:COc1cc2nc(/C=C/c3ccc(Cl)cc3)n(CCCN(C)C)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNCKUVWUXFTUOR-HAVVHWLPSA-N", "SMILES:CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPLBYQXNSWCZEB-XQNSMLJCSA-N", "SMILES:CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJKUWXILSKTLE-FVDSYPCUSA-N", "SMILES:CCOc1ccccc1N/N=C1\\C(=O)N(c2cc(O)cc(-c3ccc(N(C)C)cc3)c2)N=C1C"]}
{"name": "Apoptosis regulator BAX", "xref": ["CHEMBL.TARGET:CHEMBL3414407"], "id": "UniProtKB:Q07813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODWGEFARDASKGE-CVTFBFMWSA-N", "SMILES:CC1(C)Oc2cc([C@]34CC5CC(C[C@@](N=C=S)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXXJESRWACVMF-DLCGDIBPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(-c2ccc(OC)cc2)sc1C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXBOYQCOQWWEU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccccc3c(=O)n2CC(O)COc2cccc3[nH]c4ccccc4c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPDSPYZBCJQHGK-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(-c2ccccc2)n1CC(O)COc1cccc2[nH]c3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RINNGHYDCFNYOU-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(C(F)(F)F)n1CC(O)COc1cccc2[nH]c3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLPHNFWEAROFL-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(COc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDWHIFERAGKEU-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCC1C(=O)O)Nc1ccccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVMBJQVAAWWPJ-UHFFFAOYSA-N", "SMILES:CC(=O)O.COc1cc2cn3c4ccc(O)cc4[nH]c(=N)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBWFREGIYNIAPX-UHFFFAOYSA-N", "SMILES:COc1cc2cn3c4ccc(O)cc4[nH]c(=N)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBNZZXUIASQRX-UHFFFAOYSA-N", "SMILES:Cl.NC1CC1c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBNZZXUIASQRX-LIOBNPLQSA-N", "SMILES:Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBNZZXUIASQRX-LDXVYITESA-N", "SMILES:Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYVGWDQDLLYGPV-LIOBNPLQSA-N", "SMILES:Cl.N[C@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYVGWDQDLLYGPV-LDXVYITESA-N", "SMILES:Cl.N[C@@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBNZZXUIASQRX-CTHHTMFSSA-N", "SMILES:Cl.N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBNZZXUIASQRX-YYLIZZNMSA-N", "SMILES:Cl.N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYVGWDQDLLYGPV-YYLIZZNMSA-N", "SMILES:Cl.N[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIISLNDLAFBPBL-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(O)cc(OCC4CS4)cc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVTZIWJAMFUIW-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sc2cc(OCC3CS3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDKGVLXVUMDFV-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2cc(OCC(O)CCl)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMGSHTXIICULG-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(O)cc(OCC(O)CCl)cc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBXYYJTLICSSW-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(O)cc(OCC(S)CCl)cc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUATZHZYMGTLPX-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sc2cc(OCC(O)CCl)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KADRWUVLKYBXNL-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sc2cc(OCC(S)CCl)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEFNBIISRCTREN-UHFFFAOYSA-N", "SMILES:COc1cc(OCC(O)CCl)cc2oc3ccccc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTRNNWGFWONSX-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2cc(OCC(O)CO)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGDYXXFTHPFZGK-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(O)cc(OCC(O)CO)cc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERRDWJBTVNAIH-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2cc(OCC3CS3)cc(OCC3CS3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMAGCYHUGRTJH-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3c(OCC4CS4)cc(OCC4CS4)cc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZXDJUUKNGRAK-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUIMTGOQCQTPF-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIZSGHQFGJAFK-LMOVPXPDSA-N", "SMILES:CCCCCCCCc1ccc(-c2noc([C@@H]3CCN3C(=N)N)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTIPPLUXKZVJHM-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1469703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUUKKXWABRVBZ-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMGRWSMIJNTZPQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(CN3CCN(C(=O)c4ccco4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2360124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVSSILIDZXRQQE-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(N3CCOCC3)n2Cc2ccccc2F)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1524501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZZALCSHWXWAT-UHFFFAOYSA-N", "SMILES:CCCCn1c(Oc2ccc(C(=O)OC)cc2)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOCDTSBNIYANHP-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2CCC(C(N)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1311611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBEJBQLZSYSDCB-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJAWOJQDYMPWPJ-UHFFFAOYSA-N", "SMILES:CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVUMBGIYUUGGN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(CN3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWGMJHFQRKKDS-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(SCC(N)=O)n2Cc2ccccc2F)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFGYIDHKXBPVSC-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2Cc2cccc(Cl)c2)n(C)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1444568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKISVYTUCOJRU-UHFFFAOYSA-N", "SMILES:CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AONRERQBBIHFMX-JBGVBMOJSA-N", "SMILES:CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(C(F)(F)F)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDUEIJZRKTNKN-HYZYYIOASA-N", "SMILES:CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2CCc3cc(Br)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDUEIJZRKTNKN-NIYJGHKDSA-N", "SMILES:CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2CCc3cc(Br)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLPHLABYJZKGZ-YFWZTWDESA-N", "SMILES:CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@@H](C)c3cc(Br)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLPHLABYJZKGZ-JGFCEZIUSA-N", "SMILES:CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@H](C)c3cc(Br)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDQPRRSZKQHHS-CCXZUQQUSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)n1"], "chembl_natural_product": true}
{"name": "DNA-directed RNA polymerase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3120041"], "id": "UniProtKB:O00411", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201383", "category": ["biolink:ChemicalEntity"], "name": "GEMCITABINE TRIPHOSPHATE", "xref": ["InChIKey:YMOXEIOKAJSRQX-QPPQHZFASA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)c(=O)n1"], "synonym": ["2',2'-difluorodeoxycytidine 5'-triphosphate", "Dfdctp", "Gemcitabine triphosphate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKEIUAOIVAXJRI-XVFCMESISA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXWKHWVZEMHLHY-IBCQBUCCSA-N", "SMILES:Nc1ccn([C@@H]2O[C@](CF)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRACSMALKQTJNX-JVZYCSMKSA-N", "SMILES:[N-]=[N+]=N[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJKXQIGIZQRIB-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIDTUADQWHMXCU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLIADOPNPNQIHY-UHFFFAOYSA-N", "SMILES:CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLAFAUCUKNMECC-UHFFFAOYSA-N", "SMILES:CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGVVDVEFOAAGD-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCBr)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIFSZUPEAIIBST-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCBr)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPLVCKGKVDMPI-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCCCCCCNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMFZZLKPWAMHLC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCCCNCc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSMPOOZTUCYQH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCCCNCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL608112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZBBTGCKPRSPGF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPCXLWANMRNCM-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc2cc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZAVTWIEZCDLKM-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYMRBWZIWVHPHT-XIFFEERXSA-N", "SMILES:CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBIDDOUYYIZKIL-NDEPHWFRSA-N", "SMILES:CC[C@@H]1SC2(CCNCC2)N(CCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWFWXCONORSQAA-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXOCGISBCTWPW-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CC#CCOC1=NOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYHXNXAWJMDOFX-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCBr)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWMWOGVZDMJCGG-UHFFFAOYSA-N", "SMILES:O=C(NCCCCBr)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXNSUQULFZCSQ-UHFFFAOYSA-N", "SMILES:C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANTDPPIJLQNELK-UHFFFAOYSA-N", "SMILES:C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLJXSWBKRJCMN-MVFCFIGLSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)Nc2ccccc2)C(C)(C)CCC1n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIYWLIWTVQUKY-XAGPWNSASA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)Nc2cccc(F)c2)C(C)(C)CCC1n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOSVPRASJABJOU-GWGBLGNHSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)NCc2ccc(O)cc2)C(C)(C)CCC1n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPYGCFJBDPLNN-BQYQJAHWSA-N", "SMILES:COc1cc(OC)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3416307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNIXBCJHUYMUPB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2nnnc2SC2=CS(=O)(=O)c3ccccc32)cc1"]}
{"name": "Histone acetyltransferase RTT109", "xref": ["CHEMBL.TARGET:CHEMBL3414417"], "id": "UniProtKB:Q07794", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBBHQSTUMGFKBN-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(Sc2nn(-c3ccccc3)c(=S)s2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDIUABWZZNRRA-UHFFFAOYSA-N", "SMILES:CSc1nsc(SC2=CS(=O)(=O)c3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFGWSDODIBNYJA-UHFFFAOYSA-N", "SMILES:Cc1occc1-c1nnc(SC2=CS(=O)(=O)c3ccccc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJIKZEXOBUFQGZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(SC3=CS(=O)(=O)c4ccccc43)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFUCVFKLJLIAHM-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)C2=CS(=O)(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIOPHQIUJPTQY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXCNUMSNEBCAOH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nnc(SC3=CS(=O)(=O)c4ccccc43)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZCHWICZALHFML-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(Sc2nnnn2-c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTKJKVXLFSXSDV-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(Sc2nnc(-c3ccncc3)o2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1602759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXPNQXTNFLPRE-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(Sc2nnc(-c3ccccc3)o2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BICNRUFKCWJSQG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(Br)c2nsnc2c1Sc1ncnc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZESNZXCMHFWYKG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Sc2nnnn2-c2ccccc2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPRXGQIZRARBN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])c4nonc34)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRIRFRURXHUQLG-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2ccc([N+](=O)[O-])c3nonc23)nnc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMWQFSMHXLJCP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(Sc2nnnn2-c2ccccc2)cc(Cl)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDDPMJXMCYUBG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(SCc2ccccc2)cc(Cl)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWTVQJMHWQOGAT-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Sc2cccc(Cl)c2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDLICPWHCJUMNC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(Sc2c([N+](=O)[O-])cc(Br)c3nsnc23)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUPKIGVOWLWCW-UHFFFAOYSA-N", "SMILES:CCC(=O)OCCNc1cc(Sc2nnc(-c3ccccc3)s2)c2nonc2c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZUCVIJAVUUQB-UHFFFAOYSA-N", "SMILES:CN(CCO)c1cc(Sc2nnc(-c3ccccc3)o2)c2nonc2c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGNCQCYADVLMLP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)o2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGOLLKOPZSGSTR-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(Br)c2nsnc2c1Sc1nnnn1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPZNNMMQFVGPU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nonc2c1Sc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGRACJCGINNTSH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Sc2nnc[nH]2)c2nsnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCUAJHGLOQJRH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(Sc2ncnc3[nH]cnc23)cc(Cl)c2nsnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICEIHLFZLLLBDZ-UHFFFAOYSA-N", "SMILES:Cn1c(CN2CCOCC2)nnc1Sc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWGAAGSSUVVQS-UHFFFAOYSA-N", "SMILES:Nc1ncnc2[nH]c(Sc3c([N+](=O)[O-])cc(Br)c4nsnc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCWFBYZSVPOWJD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])c4nonc34)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIUSRIOTKZDKMS-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)[n+](-c2ccccc2)s1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBIVRQSYLFXDK-UHFFFAOYSA-N", "SMILES:[Cl-].c1ccc(C[n+]2sc(Nc3ccccc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKRBCLRMENRQGA-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3ccc(C)cc3)[n+](Cc3ccccc3)s2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1385343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRUMXXHAIUADW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)s[n+]2-c2ccccc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNHSSIDHHQSGLL-UHFFFAOYSA-M", "SMILES:[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2nc(N(c3ccccc3)c3ccccc3)s[n+]2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1600114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKWAQSAYYSJPC-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)[n+](-c2ccc(C)cc2)s1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNTHWVDKRDYEOM-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3ccc(OC)cc3)[n+](CS(=O)(=O)c3ccc(C)cc3)s2)cc1.O=S(=O)([O-])O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTYTTLQZUDUBI-UHFFFAOYSA-M", "SMILES:[O-][Cl+3]([O-])([O-])[O-].c1ccc(C[n+]2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRVZJSPJYPMLCW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(Nc3ccccc3)s[n+]2CS(=O)(=O)c2ccccc2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1465224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGBAIVVBRFNEX-UHFFFAOYSA-M", "SMILES:CN(C)c1nc(-c2ccccc2)[n+](C)s1.[O-][Cl+3]([O-])([O-])[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1790038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNOTVCHVYQVXGB-UHFFFAOYSA-N", "SMILES:[Br-].c1ccc(Nc2nc(-c3ccccc3)[n+](-c3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1790032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJBEEIZARNJPK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)s[n+]2-c2ccccc2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1790035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPVVDDMDISSNN-UHFFFAOYSA-N", "SMILES:[Br-].c1ccc(CNc2nc(-c3ccccc3)[n+](-c3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJSGFTXVYBBAU-UHFFFAOYSA-N", "SMILES:O=S(=O)(C[n+]1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1ccccc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJPQHXYFSCTBV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Nc2nc(-c3ccc(C)cc3)[n+](Cc3ccc([N+](=O)[O-])cc3)s2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRZXWGNTRLHKL-UHFFFAOYSA-N", "SMILES:[Br-].c1ccc(C[n+]2sc(Nc3ccccc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTRYLVVJXCDTO-UHFFFAOYSA-N", "SMILES:O=C1CC(Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNZZGHMDZMJRB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(SC3CC(=O)N(c4ccc(Cl)cc4)C3=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFOQLSDMDKSOHE-UHFFFAOYSA-N", "SMILES:O=C1CC(Sc2nnc(-c3ccccc3)[nH]2)C(=O)N1c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1433041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSAMKRKIRBAKL-UHFFFAOYSA-N", "SMILES:O=C1CC(Sc2nc[nH]n2)C(=O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYMPEYWZQAWLC-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=O)CC(Sc3nncn3-c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXZXVNFURBAVMY-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=O)CC(Sc3nnc(-c4ccccc4O)o3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1580311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVJLMFNHFSOLJO-UHFFFAOYSA-N", "SMILES:O=C1CC(Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1360902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQPOMSHKEIPDBC-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)CC(Sc3n[nH]c(-c4ccccc4)n3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQIJWTIPDDTKMH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(SC3CC(=O)N(c4ccc(Oc5ccccc5)cc4)C3=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1404301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAYPDJVXSSMFKE-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)CC(Sc3nnc(-c4ccccc4)o3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEYSEBSALRMGIN-UHFFFAOYSA-N", "SMILES:O=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDVZCZVWGOWLN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(SC3CC(=O)N(c4ccc5ccccc5c4)C3=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1609841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKGJJAJXIOACO-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)CC(Sc3n[nH]c(-c4ccc(C)cc4)n3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCFWUZCCNREWQA-UHFFFAOYSA-N", "SMILES:O=C1CC(Sc2nncn2-c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLEFKEWFWKTLJH-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC2CC(=O)N(c3ccc(Br)cc3)C2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FECSFBYOMHWJQG-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOMRSWAMNOWRQ-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZQYYXSOJSITC-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1c1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL568288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHCEMQKWSQGLQ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)C=CC2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2376207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYJAEOCYWSGBB-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1714292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPTVBCAVIHHEF-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCFXNGDHQPMIAQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=O)C=CC2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3416535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSFTHGZMNLASE-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRISDDUMMRDKDQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGODIOOKONOGOI-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2031566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIERPRDYPKVDJO-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3235890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXOOMOIYDWURQC-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Sc2nnnn2-c2ccccc2)c(O)c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PERAWXIKWPTRLN-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Cl)c(O)c2ccccc12)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRDUVAUQGLWQSV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTBTVKHGMJDAU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPOQSWDNJPCXKP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRAKQXYVTUXDED-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKBVLMPQAVQBO-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(S(=O)(=O)Nc2cc(SCCC(=O)O)c(O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1329974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBSDAMBGDKOBZ-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMFNOSSDKRVULH-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(SCc2ccco2)c(O)c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKQAYXCVAARCZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAAYRGQCFFKCH-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cc(Sc3nnnn3-c3ccccc3)c(O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAMNZAZSAHUYIQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Br)c(O)c2ccccc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1576791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQIKPRFFZWZBIW-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3184123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSUMPVKNCTGAG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(SCc3ccccc3)c(O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFAOCAPMYVDLBK-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZHTFYMSVYRIE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1335844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIHWMXSCKBJTOT-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXIIMXGVXUAGS-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Br)c(O)c2ccccc12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJNYJPWGTJVJKK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1898878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTMZTQXUGUMOX-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGIABALXNBVHBX-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(-c3ccc(N4C(=O)C=CC4=O)cc3)c(=O)oc2c1"]}
{"name": "Lupus La protein", "xref": ["CHEMBL.TARGET:CHEMBL2040701"], "id": "UniProtKB:P05455", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNYSPANLLRVDI-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(COCCOCCOCCOCCNC(=O)CCCCCNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nnc2N2CC(Oc3ccc(F)cc3Cl)C2)cn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMENXKNSXWKSJQ-UHFFFAOYSA-N", "SMILES:CCN1/C(=C\\C=C\\C=C\\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXKBOOOBQYDVEV-UHFFFAOYSA-M", "SMILES:CN(O)C(=O)CC(Cc1ccccc1)CP(=O)([O-])O.[Na+]"]}
{"name": "1-deoxy-D-xylulose 5-phosphate reductoisomerase", "xref": ["CHEMBL.TARGET:CHEMBL3421521"], "id": "UniProtKB:W8T2T2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQUOGOSRNOYNJ-UHFFFAOYSA-N", "SMILES:Br.O=C1c2ccc(O)cc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDGJGHFISGQFOE-UHFFFAOYSA-N", "SMILES:O=C1c2cc(O)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKDNKUPDUFEHC-UHFFFAOYSA-N", "SMILES:Br.O=C1c2cc(O)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPRBIXNCSCVOR-UHFFFAOYSA-N", "SMILES:Br.NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(O)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGPOPPKSQRZUTP-LBPRGKRZSA-N", "SMILES:CCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3422271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLFHZTHTAYTUJX-RRBVTZQMSA-N", "SMILES:O=C1c2cc(O[C@@H]3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2CCO[C@@H]2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3422270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWPZQTIGVJBSTI-HQUGCNLOSA-N", "SMILES:CC(=O)CCC[C@H](O[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3422269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDUZFJDDJPNJC-LZGRLKLLSA-N", "SMILES:CCCCC[C@H](O)c1c(O[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3422268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWRWSMREJGOBH-YIENMFSPSA-N", "SMILES:CCCCC[C@H](O[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1OC(C)=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3422267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDEJSRNTKLJXPT-HQUGCNLOSA-N", "SMILES:CCCCC[C@H](O[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3423193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZAWJGFABJTFI-UONOGXRCSA-N", "SMILES:NC(=O)[C@H]1O[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQJUFKBCBSNPA-AWEZNQCLSA-N", "SMILES:O=C(N[C@H](CO)CCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3422630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYIHQUXKBWFESS-IYARVYRRSA-N", "SMILES:COCC(=O)N1CCN(C(=O)[C@H]2CC[C@H](Cn3c(=O)c4cc(OC)ccc4n(C)c3=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1517998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSZGTFNYDARNI-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)OCO2"], "chembl_natural_product": true}
{"name": "Oxidized low-density lipoprotein receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3421522"], "id": "UniProtKB:P78380", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3421663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVSHPDCPOAUJCD-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(Br)cc(Br)c1OCCCCN=C=S)Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3421666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGJAFRRRBINYOE-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(Br)cc(Br)c1OC(=O)CCN1C(=O)C=CC1=O)Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3421669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBSPCDOSPAOGOD-UHFFFAOYSA-N", "SMILES:O=C(CCCN1C(=O)C=CC1=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3421940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKSHIYSCOTVTNF-UHFFFAOYSA-N", "SMILES:O=C1C(=Cc2ccc(O)cc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3421961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUGQBJDYUPNAQQ-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc(C)c1C=C1C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDGTFUFKSHWRN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPSTFALTNIFPF-UHFFFAOYSA-N", "SMILES:CCCCC(Oc1cc(O)c(C(=O)O)cc1C#Cc1ccccc1OC(F)(F)F)C(=O)NC1CCCCC1"]}
{"name": "Ubiquitin-like domain-containing CTD phosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL3317333"], "id": "UniProtKB:Q8WVY7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFFQSYUPVJZQA-SIUMKNMOSA-K", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(C(=O)P(=O)([O-])O)cc1)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(N)=O.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUAJARKULJWIY-CFDRCTBLSA-N", "SMILES:O=C(O)CCC/C=C\\CC/C=C\\Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNXONCMUSHASMK-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(C(F)(F)F)cc3)c[n+]12.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIJFKOIJICPMRL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(C)cc3Br)c[n+]12.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPBXFJFZRHCIJS-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(F)cc3Cl)c[n+]12.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCSLHHRZMGXYCD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(C2(C(=O)NCc3ccc(C(F)(F)F)nc3SC3CCCCC3)CCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKZAZUNLOWNYHT-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C2(c3ccc(NS(C)(=O)=O)c(F)c3)CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPVIOXNICDDLE-UHFFFAOYSA-N", "SMILES:CCC(C)(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAWQODOSOPHRA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZZOBIRRCGOCRO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(C(Cc2ccc(F)cc2)C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNBTLIHJLPQLF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(C(Cc2ccccc2)C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWARXALIPUGPAR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTWBFGXNMPCXRX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)C2CCCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTSLHQKWLYYAC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)C1=C(O)C(CO)OC1=O"], "chembl_natural_product": true}
{"name": "Low molecular weight phosphotyrosine protein phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL4903"], "id": "UniProtKB:P24666", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBPDCGBXCVRUIK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)C1=C(O)CC(CO)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAMLACAIJYAFPW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXFKGBCIJKORU-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)OC(COCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAHCVWPGHBQVRJ-KATARQTJSA-N", "SMILES:N[C@@H](CCC(=O)N1C[C@H](OP(=O)(O)N[C@@H](CCC(=O)O)C(=O)O)C[C@H]1C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAHCVWPGHBQVRJ-AATLWQCWSA-N", "SMILES:N[C@@H](CCC(=O)N1C[C@@H](OP(=O)(O)N[C@@H](CCC(=O)O)C(=O)O)C[C@@H]1C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SACRZILNWJGLCX-QPSCCSFWSA-N", "SMILES:NCCCCCC(=O)N[C@@H](CCC(=O)N1C[C@H](OP(=O)(O)N[C@@H](CCC(=O)O)C(=O)O)C[C@H]1C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SACRZILNWJGLCX-ZQDZILKHSA-N", "SMILES:NCCCCCC(=O)N[C@@H](CCC(=O)N1C[C@@H](OP(=O)(O)N[C@@H](CCC(=O)O)C(=O)O)C[C@@H]1C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPWKHJHHYARFJ-UGUYLWEFSA-N", "SMILES:O=C(O)CC[C@H](NP(=O)(O)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CC[C@H](NC(=O)c2ccc(F)cc2)C(=O)O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPWKHJHHYARFJ-YHUYYLMFSA-N", "SMILES:O=C(O)CC[C@H](NP(=O)(O)O[C@H]1C[C@H](C(=O)O)N(C(=O)CC[C@H](NC(=O)c2ccc(F)cc2)C(=O)O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXKKHJZRJYMFZ-ANULTFPQSA-N", "SMILES:O=C(O)CC[C@H](NP(=O)(O)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CC[C@H](NC(=O)CCCCCNC(=O)c2ccc(F)cc2)C(=O)O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXKKHJZRJYMFZ-XSDIEEQYSA-N", "SMILES:O=C(O)CC[C@H](NP(=O)(O)O[C@H]1C[C@H](C(=O)O)N(C(=O)CC[C@H](NC(=O)CCCCCNC(=O)c2ccc(F)cc2)C(=O)O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2356114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNBRWZQSTXMIV-MRXNPFEDSA-N", "SMILES:C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc3c(c2)OCO3)n1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGNZKFHZDNLHH-XSFVSMFZSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/C3CC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTGUDMVWQJVGNX-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)c(O)c2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQYYPQZAHCDRA-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(O)cc2)ccc(-c2ccc(O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETUHVZSQNECKD-IBGZPJMESA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3cc(C)cc(C)c3)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRLJFGHZHGNMZ-KRWDZBQOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccc(C(F)(F)F)cc3)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZWWRPJVAAVDR-KRWDZBQOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccc(OC(F)F)cc3)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMDZNZGQZQYPY-INIZCTEOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccncc3)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCQFJPVLDNDRNV-QHCPKHFHSA-N", "SMILES:CCCCCCOc1ccc(-c2nnn(-c3ccc(C[C@@H](C(=O)OC)N4C(=O)C=CC4=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVFFPQYQXYNHI-KRWDZBQOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3cc(F)cc(F)c3)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPIYPGZUHKXKV-KRWDZBQOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccccc3)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLDFJDBTSOQOF-IBGZPJMESA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccc(N(C)C)cc3)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZWDRIXRHCOFP-SFHVURJKSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccc(OC)cc3)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMAWVLZJFNYMKG-NRFANRHFSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3cccc4ccccc34)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCCQWZSAFHXHET-KRWDZBQOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccc(F)cc3)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJAWVTLWWODGNP-FQEVSTJZSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccc(C(C)C)cc3)n2)cc1)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOQDGQKBCOTLV-LBPRGKRZSA-N", "SMILES:O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGMRZYJTEPRZTM-INIZCTEOSA-N", "SMILES:C#CCOc1ccc2[nH]cc(C[C@@H](C(=O)OC)N3C(=O)C=CC3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHHKGJWXVOEHN-CXVNKNBPSA-N", "SMILES:NC(=O)CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)NC(=O)CCCCCn2cc(nn2)C[C@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(C(F)(F)P(=O)(O)O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNBIUILDLWBDCB-RHZWZTDWSA-N", "SMILES:NC(=O)CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)n2cc(nn2)C[C@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(C(F)(F)P(=O)(O)O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRSWUQWQEGACQB-HGOOQHIRSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRXMSGHPVYSDK-UHFFFAOYSA-N", "SMILES:CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIHQWPSKQMBDJT-OUHGZSMOSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C/C=C1\\C=COC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPVIOZQBGVKYLK-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWHDRHNGMXUMDU-UHFFFAOYSA-N", "SMILES:O=C1NC2(C(=O)N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1-c1ccccc12"]}
{"name": "Aldo-keto reductase family 1 member B1", "xref": ["CHEMBL.TARGET:CHEMBL3081"], "id": "UniProtKB:P16116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEGLFSLWHIVPBO-UHFFFAOYSA-N", "SMILES:CSC(=S)NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZCCKCLHNUSAMQ-DUGSHLAESA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPAVMOUPKGYKJV-LBBUGJAGSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQZCBDQDLKCAP-LBBUGJAGSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWMNONYVLYTNR-NGTAMTFRSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZTUFQUOSXJNDP-DUGSHLAESA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKPVDQDJQWBPD-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3426989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYJWMMKACDDSEZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(Nc2ccccc2)cc2cc(-c3ccccc3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OURCBWJERHUWHH-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2ccc3c(=O)[nH]c(Nc4ccccc4)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYFIPHFARQBSH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cccc(-c3ccccc3)c2)ncc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXWDBTLNBKIMEX-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3CN)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSLFQTWNRYWJT-UHFFFAOYSA-N", "SMILES:CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWIQXPFJORNJP-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMQQXAWYCBFCAB-UHFFFAOYSA-M", "SMILES:CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(C)CC4)c4ccccc4[n+]3C)ccc21.[I-]"]}
{"name": "Disintegrin and metalloproteinase domain-containing protein 10", "xref": ["CHEMBL.TARGET:CHEMBL5028"], "id": "UniProtKB:O14672", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKIYVKPQNKSDI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFVDNFTELWRHV-UHFFFAOYSA-N", "SMILES:O=C(CCCCSc1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQSIPNLHOWORHA-BUHFOSPRSA-N", "SMILES:O=C(/C=C/c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL996", "category": ["biolink:ChemicalEntity"], "name": "CEFOXITIN", "xref": ["InChIKey:WZOZEZRFJCJXNZ-ZBFHGGJFSA-N", "SMILES:CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21"], "synonym": ["Cefoxitin", "Cefoxitin", "Cefoxitin", "Cefoxitine", "Cefoxitina", "Cefoxitin", "Cefoxitin", "J01DC01", "Cenomycin", "Mefoxitin", "Cefoxitin", "Cefoxitin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTFNNXALSQKDIS-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2ccccc12)c1cn(CCCC(O)CF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNLPKCAXICMBW-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALQFAGFPQCBPED-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFBQQHYZJTRAS-UHFFFAOYSA-N", "SMILES:CC(O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGHBAICDASCCIQ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2ccccc12)c1cn(CCCCCO)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404", "category": ["biolink:ChemicalEntity"], "name": "TAZOBACTAM", "xref": ["InChIKey:LPQZKKCYTLCDGQ-WEDXCCLWSA-N", "SMILES:C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O"], "synonym": ["Tazobactam", "Tazobactam", "Tazobactam", "Tazobactam", "Tazobactam", "Tazobactam", "CL 298,741", "CL-298741", "NSC-759887", "YTR-830H", "Tazobactam", "Tazobactam"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL575", "category": ["biolink:ChemicalEntity"], "name": "METHICILLIN", "xref": ["InChIKey:RJQXTJLFIWVMTO-TYNCELHUSA-N", "SMILES:COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O"], "synonym": ["Meticillin", "Methicillin", "Meticillin", "Meticilline", "Meticilina", "2,6-dimethoxyphenyl penicillin", "Methicillin", "Meticillin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1443", "category": ["biolink:ChemicalEntity"], "name": "NAFCILLIN", "xref": ["InChIKey:GPXLMGHLHQJAGZ-JTDSTZFVSA-N", "SMILES:CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O"], "synonym": ["Nafcillin", "Nafcillin", "Nafcillin", "Nafcilline", "Nafcilina", "Nafcillin", "Nafcillin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1537", "category": ["biolink:ChemicalEntity"], "name": "AZLOCILLIN", "xref": ["InChIKey:JTWOMNBEOCYFNV-NFFDBFGFSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O"], "synonym": ["Azlocillin", "Azlocillin", "Azlocillin", "Azlocilline", "Azlocilina", "J01CA09", "NSC-758227", "Azlocillin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Solute carrier organic anion transporter family member", "xref": ["CHEMBL.TARGET:CHEMBL3509590"], "id": "UniProtKB:Q95KY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2096747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQPSEEYGBUAQFF-AREMUKBSSA-N", "SMILES:COc1ccnc(C[S@@+]([O-])c2nc3ccc(OC(F)F)cc3[nH]2)c1OC"]}
{"name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "xref": ["CHEMBL.TARGET:CHEMBL3509585"], "id": "UniProtKB:Q80W57", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQPSEEYGBUAQFF-SANMLTNESA-N", "SMILES:COc1ccnc(C[S@+]([O-])c2nc3ccc(OC(F)F)cc3[nH]2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLMXCIEUYGUNY-GZXVCZRGSA-N", "SMILES:Fc1cnc(N2CCN(Cc3cn[14c](-c4ccccc4)[nH]3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLMXCIEUYGUNY-UHFFFAOYSA-N", "SMILES:Fc1cnc(N2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)nc1"]}
{"name": "Nuclear receptor subfamily 1 group I member 2", "xref": ["CHEMBL.TARGET:CHEMBL2146315"], "id": "UniProtKB:Q9R1A7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYGRHTQELOUVEF-UHFFFAOYSA-N", "SMILES:C/N=C(\\NS(=O)(=O)N1CCCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL364300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZJHFPDRRKJWFO-UHFFFAOYSA-N", "SMILES:CCN(C)S(=O)(=O)N/C(=N\\C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431701", "category": ["biolink:ChemicalEntity"], "name": "SILYBIN A", "xref": ["InChIKey:SEBFKMXJBCUCAI-HKTJVKLFSA-N", "SMILES:COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O"], "synonym": ["Silybin a", "Silibinin a", "Silybin a", "Silymarin i", "NSC-651520"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL592675", "category": ["biolink:ChemicalEntity"], "name": "SILYBIN B", "xref": ["InChIKey:SEBFKMXJBCUCAI-WAABAYLZSA-N", "SMILES:COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542340", "category": ["biolink:ChemicalEntity"], "name": "ISOSILYBIN B", "xref": ["InChIKey:FDQAOULAVFHKBX-WAABAYLZSA-N", "SMILES:COc1cc([C@@H]2Oc3ccc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3O[C@H]2CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2397733", "category": ["biolink:ChemicalEntity"], "name": "SILIDIANIN", "xref": ["InChIKey:CYGIJEJDYJOUAN-JSGXPVSSSA-N", "SMILES:COc1cc([C@@H]2[C@H]3CO[C@@]4(O)C(=O)[C@@H]2C=C([C@H]2Oc5cc(O)cc(O)c5C(=O)[C@@H]2O)[C@@H]34)ccc1O"], "synonym": ["Silidianin", "Silidianine", "Silidianina", "Silydianin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWBOKJVVYNKTL-AUEPDCJTSA-N", "SMILES:Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL487805", "category": ["biolink:ChemicalEntity"], "name": "SCUTELLARIN", "xref": ["InChIKey:DJSISFGPUUYILV-ZFORQUDYSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3542370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLWMMBFOKSEKW-BHWDSYMASA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1318117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOLPUWBMSBJXER-YDGSQGCISA-N", "SMILES:CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@]213"], "chembl_natural_product": true}
{"name": "Nuclear receptor subfamily 1 group I member 3", "xref": ["CHEMBL.TARGET:CHEMBL3509594"], "id": "UniProtKB:Q9QUS1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZVPUCUVGTNHN-UHFFFAOYSA-N", "SMILES:C/N=C(\\NS(=O)(=O)N(C)C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFBQYYRPOZMAQL-UHFFFAOYSA-N", "SMILES:C/N=C(\\NS(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL195050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCJJQLOBRASRL-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)N/C(=N\\C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHFLHCKJCJDEL-UHFFFAOYSA-N", "SMILES:C/N=C(\\NS(=O)(=O)N(C)C(C)C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461101", "category": ["biolink:ChemicalEntity"], "name": "ELTROMBOPAG", "xref": ["InChIKey:XDXWLKQMMKQXPV-QYQHSDTDSA-N", "SMILES:CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O"], "synonym": ["Eltrombopag", "Eltrombopag", "Eltrombopag", "Eltrombopag", "Eltrombopag", "SB497115", "Revolade"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1528022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYLPCLGPXGILY-DKBOKBLXSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "POU domain, class 2, transcription factor 2", "xref": ["CHEMBL.TARGET:CHEMBL3509582"], "id": "UniProtKB:P09086", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFWUNVBJAOKDW-UIOOFZCWSA-N", "SMILES:CC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CCN(C)CCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9419", "category": ["biolink:ChemicalEntity"], "name": "METACETAMOL", "xref": ["InChIKey:QLNWXBAGRTUKKI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(O)c1"], "synonym": ["Metacetamol", "BS 749", "BS-749", "NSC-3990"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL963", "category": ["biolink:ChemicalEntity"], "name": "OXYMORPHONE", "xref": ["InChIKey:UQCNKQCJZOAFTQ-ISWURRPUSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5"], "synonym": ["Oxymorphone", "Oxymorphone", "Oximorfona", "Oxymorphone", "14-hydroxydihydromorphinone", "7,8-dihydro-14-hydroxymorphinone", "Dihydroxymorphinone", "Oxymorphone", "IDS-NO-003", "NIH 10323", "NSC-19045", "Oxycodone hydrochloride impurity, oxymorphone-", "Oxymorphone cii"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3527426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKMCJUNPCRFMW-ISWURRPUSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)NCC[C@]314"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1568", "category": ["biolink:ChemicalEntity"], "name": "FLUDARABINE", "xref": ["InChIKey:HBUBKKRHXORPQB-FJFJXFQQSA-N", "SMILES:Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O"], "synonym": ["Fludarabine", "Fludarabina", "Fludarabine", "2-f-araa", "2-fluoro ara-a", "2-fluorovidarabine", "Fludarabine", "Fluradosa", "NSC-118218", "NSC-118218H"]}
{"name": "Sodium/nucleoside cotransporter 1", "xref": ["CHEMBL.TARGET:CHEMBL5551"], "id": "UniProtKB:O00337", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL100259", "category": ["biolink:ChemicalEntity"], "name": "URIDINE", "xref": ["InChIKey:DRTQHJPVMGBUCF-XVFCMESISA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "synonym": ["Uridine", "1-.beta.-d-ribofuranosyluracil", "Uracil riboside", "Uridine", "NSC-20256", "Uridine"], "chembl_natural_product": true}
{"name": "Sodium/nucleoside cotransporter 2", "xref": ["CHEMBL.TARGET:CHEMBL5780"], "id": "UniProtKB:O43868", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Solute carrier family 28 member 3", "xref": ["CHEMBL.TARGET:CHEMBL5707"], "id": "UniProtKB:Q9HAS3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802105", "category": ["biolink:ChemicalEntity"], "name": "SILICRISTIN", "xref": ["InChIKey:BMLIIPOXVWESJG-CMIZNHKFSA-N", "SMILES:COc1cc(C2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3C2CO)ccc1O"], "synonym": ["Silicristin", "Silicristine", "Silicristina"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3526580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFPOCCZDNSDJGG-NEYBNPPJSA-N", "SMILES:Cc1nn(C[C@H](F)CN2C3CCC2CC(OCc2cccc(F)c2)C3)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQCBYDHIYYOKAZ-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NCc3ccc(-c4nnc(CCCCCCC(=O)NO)o4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYARBGNAYGPNNS-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NCc3ccc(-c4nnc(CCCCC(=O)NO)o4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXFCWQSCVQMPMU-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NCc3ccc(-c4nnc(CCCC(=O)NO)o4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTVNKVXRXIRGTC-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NCc3ccc(-c4noc(CCCCCCC(=O)NO)n4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCUDMKUXQZMWTF-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NCc3ccc(-c4noc(CCCCC(=O)NO)n4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLSJKVQAGSKSMV-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NCc3ccc(-c4noc(CCCC(=O)NO)n4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLROYXCFWQTSZ-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NCc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASDVCJOUIHLERK-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NC(=O)CCCC(=O)NO)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMIJCGXSPNNHR-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NC(=O)CCCCC(=O)NO)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBUYUXNROMJRJ-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NC(=O)CCCCCC(=O)NO)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNDWKYBZGLGEE-VWLOTQADSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSUCZAQRBMNZKQ-VWLOTQADSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZMBENUCUXIBJO-VXKWHMMOSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQQVMMHEBLDZBH-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)NCC(=O)O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFWUTKPUSJVJH-UHFFFAOYSA-N", "SMILES:COCCOc1nc(N)c2nc(O)n(CCCC(=O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEFNCLBQZYNEKP-UHFFFAOYSA-N", "SMILES:Cc1c2[nH]c3cc(OCc4ccc(Cl)cc4)ccc3c2cc[n+]1Cc1ccc(Cl)cc1.[Br-]"]}
{"name": "Endochitinase", "xref": ["CHEMBL.TARGET:CHEMBL3562163"], "id": "UniProtKB:P29030", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6279"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZWNYZVVZXZRRH-YFKVPUFHSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O"]}
{"name": "Putative P2Y purinoceptor 10", "xref": ["CHEMBL.TARGET:CHEMBL3562168"], "id": "UniProtKB:Q8BFU7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBPJQSQZGMFTDC-QHCPKHFHSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVTWQEXFPZBCJA-QFIPXVFZSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)OCC(F)(F)COP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJTUXDOUWMCMQ-ZETCQYMHSA-N", "SMILES:O=C(O)[C@H]1CCc2c([nH]c3ccc(Cl)cc23)C1"]}
{"name": "Beta sliding clamp", "xref": ["CHEMBL.TARGET:CHEMBL3562169"], "id": "UniProtKB:P0A988", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJTUXDOUWMCMQ-SSDOTTSWSA-N", "SMILES:O=C(O)[C@@H]1CCc2c([nH]c3ccc(Cl)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBASDHKITGUWOO-SSDOTTSWSA-N", "SMILES:O=C(O)[C@@H]1CCc2c([nH]c3ccc(Br)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEITVQPGVPEPAZ-MRVPVSSYSA-N", "SMILES:NC(=O)Cn1c2c(c3cc(Cl)ccc31)CC[C@@H](C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IALVQODOZJMHOS-MRVPVSSYSA-N", "SMILES:NC(=O)Cn1c2c(c3cc(Br)ccc31)CC[C@@H](C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLHNURWPJVHBH-SECBINFHSA-N", "SMILES:O=C(O)CNC(=O)Cn1c2c(c3cc(Cl)ccc31)CC[C@@H](C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJOMTOSTTHHIJE-SECBINFHSA-N", "SMILES:O=C(O)CNC(=O)Cn1c2c(c3cc(Br)ccc31)CC[C@@H](C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVKCJZLVMZAHBK-DNVCBOLYSA-N", "SMILES:O=C(Cn1c2c(c3cc(Br)ccc31)CC[C@@H](C(=O)O)C2)N[C@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVKCJZLVMZAHBK-BEFAXECRSA-N", "SMILES:O=C(Cn1c2c(c3cc(Br)ccc31)CC[C@@H](C(=O)O)C2)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFTLIHJJNRCDKF-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN(Cc1ccccc1)c1ccc2cc(C(=N)N)c(=O)oc2c1.Cl"]}
{"name": "Acid-sensing ion channel 1", "xref": ["CHEMBL.TARGET:CHEMBL1628477"], "id": "UniProtKB:P78348", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVYLUODGYRRACW-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(=N)N)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLDOVMIVKHXKE-BLSIRIBZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"name": "Major capsid protein L1", "xref": ["CHEMBL.TARGET:CHEMBL3562172"], "id": "UniProtKB:P03101", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:333760"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQXZFNCPKUDXIN-AQJXLSMYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O"]}
{"name": "Major capsid protein L1", "xref": ["CHEMBL.TARGET:CHEMBL3562173"], "id": "UniProtKB:P26535", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10598"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMADOJROMJZKKC-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)Cn2cc(CO)c(C(F)(F)F)n2)sc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJFKMVDAKHFHSO-ZDUSSCGKSA-N", "SMILES:O=C1c2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2OC[C@@H]2CCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXFDEOSGMWWMSA-UHFFFAOYSA-N", "SMILES:CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCVWSRYYCHNRX-ZDUSSCGKSA-N", "SMILES:O=S1(=O)c2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2OC[C@@H]2CCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CACMCLIHCDTJHL-IDTAVKCVSA-N", "SMILES:CCNC(=O)NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"name": "Protein arginine N-methyltransferase 7", "xref": ["CHEMBL.TARGET:CHEMBL3562175"], "id": "UniProtKB:Q9NVM4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XREDUPOVEQDQQS-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1-c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3577244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTNZSXIELRUQM-KRWDZBQOSA-N", "SMILES:CC(C)(O)c1cc2c3c(ccc2o1)C(=O)C[C@@H](c1ccc(O)cc1)O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3577245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJFTGHETRNBQP-QOTSWMAJSA-N", "SMILES:CC(C)(O)[C@H]1Cc2c(ccc3c2O/C(=C\\c2ccc(O)c(O)c2)C3=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3577252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEELJZPOZYDTHN-RTBURBONSA-N", "SMILES:CC(C)(O)[C@@H]1Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3577347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPBRZDOJDLKOT-CIRUDOSSSA-N", "SMILES:C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C"], "chembl_natural_product": true}
{"name": "Calmodulin-1", "xref": ["CHEMBL.TARGET:CHEMBL3562176"], "id": "UniProtKB:P0DP26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKSUUZMNWGEVRC-UFYCRDLUSA-N", "SMILES:O=C1CC[C@]2(O)[C@@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CC2)C1"]}
{"name": "Prostaglandin E synthase 3", "xref": ["CHEMBL.TARGET:CHEMBL3341580"], "id": "UniProtKB:Q15185", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBYCNPOCPXMJCE-UHFFFAOYSA-N", "SMILES:CCN(CCCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3578201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPUHOJFAXMPAU-GTMCEHENSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)c1ccc(N2CCN(c3ccc(N4CCN(C(=O)c5ccc(C(=O)O)c(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c5)CC4)cc3)CC2)nc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3578323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGSWWRLVMCIJHI-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(-c3ccccc3)cc2)nc2cnccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3578324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRHGQDYGJHHJN-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2ccc(-c3nc4cnccn4c3NC(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3578326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFAMIURWOLZPSK-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3578327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSSXADWKUUIGK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(NC(C)(C)C)n3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGJERFBEGXUOQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccc(F)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPFFWANWBCIBGX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(NC(C)(C)C)n3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUJKOMNYVMFTHV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2NC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRUSJMFFCAPGHU-WMVTVRAXSA-N", "SMILES:COC(=O)CCCCCn1cc(CO[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDOSTVSMAPKQMY-XNLUEZIFSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCc3cn(-c5ccc(O)cc5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTGZEFQESZSLBR-FLDONVTPSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCc3cn(CCCN(C)C)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3576954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHLYXAQSLYMEDP-QQJYNPJZSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(CN(C)C)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REMZATIPDXZDEV-CXFHPJBZSA-N", "SMILES:CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPZRFSKOJGJEJ-YYHAPLCHSA-N", "SMILES:CC1(C)CC[C@]23CC[C@@]4(C)[C@]5(C)CC[C@H]6C(C)(C)C(=O)C(C#N)=C[C@]6(C)C5=CC(=O)[C@@]4([C@@H]2C1)N(C1CCCCC1)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUWDADPNALRHN-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJMQMOCFLSIIF-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)c4cn(-c5cc6ccc(O)cc6oc5=O)nn4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNMNBFPDHZVEGX-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)c4cc5ccc(O)cc5oc4=O)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYNXQORCWJBOI-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGYNRIYGDOFIPG-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSUSJUAJOGNPC-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMASOKCFIFSOF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1322597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPXUNEGPCPQBQY-BQYQJAHWSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCCCC2=O)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3581512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOZBLVYNAYBARF-RMKNXTFCSA-N", "SMILES:COc1ccc(/C=C/C(=O)N2CCCC2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3580707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRWZVFXWWPQDY-UHFFFAOYSA-N", "SMILES:CC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFUNIXWNXRVEJ-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(OCc2ccc(F)cc2)cc1"]}
{"name": "Homeobox protein NANOG", "xref": ["CHEMBL.TARGET:CHEMBL3580527"], "id": "UniProtKB:Q9H9S0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJEJLARVLKHYFW-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(CC#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPIJMUNSMWWAA-UHFFFAOYSA-N", "SMILES:O=c1ccc2nccc3c4ccc(O)cc4n1c23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1774404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXNMRBHGHQWYSQ-PLNCUQKMSA-N", "SMILES:CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3COC(=O)C3)[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3120496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPUPIWCFYQPEG-LWUBGYQZSA-N", "SMILES:O=c1ccc2nccc3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4n1c23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3581857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIXMXKVUGUJSQ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc(F)cc1c(=O)n2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZMJJCYOJMNTGR-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc(F)cc1c(=O)n2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCQRMXRWGJFSLG-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc(Cl)cc1c(=O)n2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFLVDRDZJWJTN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc(Cl)cc1c(=O)n2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEKEYLNSYDURB-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc(I)cc1c(=O)n2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3580805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTFYIZFSUADOP-UHFFFAOYSA-N", "SMILES:CSc1ccc(CSc2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1"]}
{"name": "NAD-dependent protein deacetylase sirtuin-2", "xref": ["CHEMBL.TARGET:CHEMBL3232690"], "id": "UniProtKB:Q5RJQ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3580934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELLCPHHYHLWBH-UHFFFAOYSA-N", "SMILES:Cl.NCCCOc1cc2ccccc2cc1C(=O)NCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3580968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUZXWKWTMWMCR-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2c1"]}
{"name": "Serine/threonine-protein kinase PAK 1", "xref": ["CHEMBL.TARGET:CHEMBL3580528"], "id": "UniProtKB:P35465", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378104", "category": ["biolink:ChemicalEntity"], "name": "CARDAMOMIN", "xref": ["InChIKey:NYSZJNUIVUBQMM-BQYQJAHWSA-N", "SMILES:COc1cc(O)cc(O)c1C(=O)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3586684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARGHRTOHHSCKDO-FYPJILMUSA-N", "SMILES:CN(CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)CCc1ccc(N=[N+]=[N-])c([125I])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPUTTQWDXQYIH-MRQGTGSSSA-N", "SMILES:CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(CNC(=O)CCc3ccc(N=[N+]=[N-])c([125I])c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMNWEFDTSNZBD-FYPJILMUSA-N", "SMILES:CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(CNC(=O)c3ccc(N=[N+]=[N-])c([125I])c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASVYHUAGODGJSA-HJEKFELISA-N", "SMILES:COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2CCCCc1ccc(N=[N+]=[N-])c([125I])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKPZKSMYVHTZBM-CPKWHBFMSA-N", "SMILES:C[C@@]12C[C@@H]3C(=CC[C@@H]4C(=O)N(CCC(=O)O)C(=O)[C@@H]43)[C@H](c3ccc(Br)cc3)[C@@H]1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAOSCBLDCKMSIU-TVYFEROHSA-N", "SMILES:C[C@@]12C[C@@H]3C(=CC[C@@H]4C(=O)NC(=O)[C@@H]43)[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPGTDNRNMDRGQ-HYOWRBRKSA-N", "SMILES:CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C[C@@]4(O)CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3586200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBQYGDWMJWSCCD-JIJPZTSSSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](OC(=O)CCc4ccc(O)cc4)[C@]3(C)C(=O)O)[C@H]1CC[C@H]1C(=CC[C@@H]3[C@]1(C)CC[C@@H](O)[C@]3(C)CO)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3586207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLIXKNTFAWRFM-CXJQTXMHSA-N", "SMILES:CCCC[C@@H](O)/C=C/C=C/C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3586197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBGFIQMRGZVTJ-IMAUSQTQSA-N", "SMILES:CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3586201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMUNNDDBCLRMSL-AFFCZCIESA-N", "SMILES:CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL445558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXPLCAKVOYHAJA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1"]}
{"name": "Prolyl 4-hydroxylase subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL1250350"], "id": "UniProtKB:P13674", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88972", "category": ["biolink:ChemicalEntity"], "name": "PYRIDINE-2,5-DICARBOXYLIC ACID", "xref": ["InChIKey:LVPMIMZXDYBCDF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C(=O)O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYDLFVISOOYNGJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cc(C(=O)O)ccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQMUHHSWICEIH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(C(=O)O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYKYUAHFYQVFQ-FMQUCBEESA-N", "SMILES:COc1ccc(/C(COc2ccc3ccccc3c2)=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQQFQVFOIVNIT-CZIZESTLSA-N", "SMILES:O/N=C(\\COc1ccc2ccccc2c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQRYXISQZMCAMH-VHEBQXMUSA-N", "SMILES:O/N=C(\\COc1ccc2ccccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTJCPXDKJMYZTR-GXDHUFHOSA-N", "SMILES:C/C(COc1ccc2ccccc2c1)=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBGDCUQPYSWKE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2-c2c(-c3ccc(OC)c(OC)c3)oc3cc(O)cc(O)c3c2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXFMYDMYKZDCL-UHFFFAOYSA-N", "SMILES:O=c1c(-c2c(-c3ccco3)oc3ccccc3c2=O)c(-c2ccco2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USIWAMBUPSEYIB-XJLRFKRQSA-N", "SMILES:CCOC(=O)/C=C1\\C(=O)C=C[C@]2(C)[C@@H]1CC[C@]13C[C@](O)(CO)[C@@](O)(CC[C@H]12)C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3585685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JITLQAWREFBVJS-UHFFFAOYSA-N", "SMILES:CCCCn1cc(C(=O)O)c(=O)c2ccc(Oc3ccnc(Nc4ccc(C#N)cc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWPDVDLBHCVFAC-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c(=O)c2ccc(Oc3ccnc(Nc4ccc(C#N)cc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYAQTCBKSQOFZ-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(C(=O)O)c(=O)c2ccc(Oc3ccnc(Nc4ccc(C#N)cc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLEWMHCIOFGAJM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Cn2cc(-c3ccc(O)c(O)c3)nn2)cc1"]}
{"name": "Estrogen-related receptor gamma", "xref": ["CHEMBL.TARGET:CHEMBL3585238"], "id": "UniProtKB:P62509", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGXPDDUADZCCU-YSURURNPSA-N", "SMILES:CC1CN(C(=O)CO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2)CC(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEXHQZPMUKFOIV-SSDVNMTOSA-N", "SMILES:COc1ccc(/C=N/OCC(=O)N2CC(C)OC(C)C2)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491820", "category": ["biolink:ChemicalEntity"], "name": "AMORFRUTIN A", "xref": ["InChIKey:CTNFTPUIYFUXBE-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2337127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNIJLWIVUCTHW-CPNJWEJPSA-N", "SMILES:COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1C/C=C(\\C)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3585932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEUGQYOMKCJJLJ-LOZMKZQPSA-N", "SMILES:OC[C@H]1O[C@@H](Oc2ccc(C[C@@H]3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3586618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBVZIWNLHKATE-UHFFFAOYSA-N", "SMILES:Cn1cnc2ccc(-c3noc(-c4ccc5cc[nH]c5c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBOBFSYTLJJUGA-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLXIKGNWIULWHU-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(C(=O)O)cc1"]}
{"name": "TNF receptor-associated factor 6", "xref": ["CHEMBL.TARGET:CHEMBL3588728"], "id": "UniProtKB:Q9Y4K3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZISVYNIBYVBIJV-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2ccc(NC(=O)Cn3c(=O)sc4ccc(Cl)cc43)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBVFSXGKEMQSHQ-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cc(CNC3(c4ccc(F)cc4)CCCC3)ccc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRQDUYTAFOBNM-UHFFFAOYSA-N", "SMILES:CN1CCC(Cc2cccc(CNC3(c4ccccc4F)CCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYLFPZPIDTXQK-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cc(CNC3(c4ccccc4F)CCCC3)ccc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPCCLKUZYOBPO-UHFFFAOYSA-N", "SMILES:CN1CCC(Cc2cccc(CNC3(c4ccc(F)cc4)CCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYOKBAXZPGNTO-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGZWPABDRDZLTP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLXHLDIOOGUSY-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONJBINFWAWEQQG-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2ccc(F)cc2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBPMQBZODXGVDD-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2ccc(O)cc2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFXWFRARASSVPY-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLHYEMWEPZTOPS-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGWWMKGYYOMOMQ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2cccc(Cl)c2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYJXWCSPRMSRY-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2cccc(F)c2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIBIJDPQNVDTKB-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2cccc(O)c2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCINTPVMKFHWPN-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2ccccc2Cl)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQQPEGGOJPACJN-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2ccccc2F)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGQQDBCXUBUFTM-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2ccc(O)cc2Cl)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202132", "category": ["biolink:ChemicalEntity"], "name": "PARAHYDROXYBENZYL ALCOHOL", "xref": ["InChIKey:BVJSUAQZOZWCKN-UHFFFAOYSA-N", "SMILES:OCc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL53566", "category": ["biolink:ChemicalEntity"], "name": "TYROSOL", "xref": ["InChIKey:YCCILVSKPBXVIP-UHFFFAOYSA-N", "SMILES:OCCc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL245067", "category": ["biolink:ChemicalEntity"], "name": "PHLORIZIN", "xref": ["InChIKey:IOUVKUPGCMBWBT-QNDFHXLGSA-N", "SMILES:O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3590142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRPKOIHGXKBLK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGTUBVVJEABYNO-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3588873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRTWMHXTWZGLGL-UHFFFAOYSA-N", "SMILES:CC(c1ccc(NC(=O)c2cc(C3CC3)[nH]n2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLSXSVZUOHCGHA-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYCCMUATOKUPY-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRWXKHLYPWETA-UHFFFAOYSA-N", "SMILES:CC(O)c1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYFSBQHOLAWII-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(F)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNNGJUPVGNOYRC-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQFCFZNAKDXJBI-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(C)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXDJOGNHLCWST-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFLTKOMDDREOZ-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHLOLFCWBODEMP-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)OCCc2ccc(NC)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1553629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFZDNYNXFMRFQ-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTQCRMILNQUVJG-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(N)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSVQBLBEILJMZ-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)OCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGIKHBVNATJPW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSDSQBVKQABPAN-UHFFFAOYSA-N", "SMILES:Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMDQWTWRPTGQW-GTPNLVIDSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CCN(CCCCCCCCN5CCNCC5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAXXNITJSMXPD-FHKOVNTISA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CCN(CCCCCCCCCCN5CCNCC5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUKDXPXERQSDB-IUALWDDYSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CCN(CCCCCCCCN5CCN(CC(=O)N[C@@H]6c7cc8c(cc7[C@@H](c7cc(OC)c(O)c(OC)c7)[C@H]7C(=O)OC[C@@H]76)OCO8)CC5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUVGOMDSWULCGD-VINPTGNQSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CCN(CCCCCCCCCCN5CCN(CC(=O)N[C@@H]6c7cc8c(cc7[C@@H](c7cc(OC)c(O)c(OC)c7)[C@H]7C(=O)OC[C@@H]76)OCO8)CC5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZTBKTHEDFZDJY-VCQQYWIWSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CCN(CCCCCCCCCCCCN5CCN(CC(=O)N[C@@H]6c7cc8c(cc7[C@@H](c7cc(OC)c(O)c(OC)c7)[C@H]7C(=O)OC[C@@H]76)OCO8)CC5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLCXUMXOFMFDC-YZCUKXFTSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CCN(CCCN5CCNCC5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZHGLHMHIIZMQE-WSNDRWNMSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CCN(CCCN5CCN(CC(=O)N[C@@H]6c7cc8c(cc7[C@@H](c7cc(OC)c(O)c(OC)c7)[C@H]7C(=O)OC[C@@H]76)OCO8)CC5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJDVUMFTELWYHY-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(N3CCCC3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNDTXHSMALXHGN-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2)cc1CNC(=O)c1ccc(-c2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONVRHNBKAGPMCS-GOSISDBHSA-N", "SMILES:COC[C@@H](NC(C)=O)C(=O)NCc1ccc(Oc2cccc(OC(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJPRVVIATWBDB-SFHVURJKSA-N", "SMILES:CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)s1"]}
{"name": "Inhibin beta A chain", "xref": ["CHEMBL.TARGET:CHEMBL3588734"], "id": "UniProtKB:Q04998", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIXRWSUKYNSLRT-UHFFFAOYSA-N", "SMILES:CCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)NCc3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHANSZRQMPJKN-PCGMDOMSSA-N", "SMILES:O=Cc1ccc(-c2cn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)c(=O)[nH]c2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URRXSHLGWLQOEC-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIISUCGGVANLKC-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXDQJNOCFPWRNA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1nc(NC2CCOCC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRBXBROEPXZHF-SANMLTNESA-N", "SMILES:O=C1COc2c(cccc2[C@@H](O)CNCCN(C(=O)CCNCCc2ccc(Cl)c(Cl)c2)C2CCCCC2)N1"]}
{"name": "N-lysine methyltransferase SMYD2", "xref": ["CHEMBL.TARGET:CHEMBL2169716"], "id": "UniProtKB:Q9NRG4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2169920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIBVHXXKHSODII-UHFFFAOYSA-N", "SMILES:O=C1COc2c(CCNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCECPIHOBALRRD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2ccc(Cl)cc2Cl)n1"]}
{"name": "POU domain, class 5, transcription factor 1", "xref": ["CHEMBL.TARGET:CHEMBL3580526"], "id": "UniProtKB:Q01860", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHCZPDOSLARAB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVMSWLNUJPOOI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRQLNBFIPZRBRG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCUMDSDWMYUJZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULUBAPWNHROTEU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUZVBLBCDSYLB-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)Nc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)cc1"]}
{"name": "Cholesteryl ester transfer protein", "xref": ["CHEMBL.TARGET:CHEMBL1163116"], "id": "UniProtKB:P22687", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHONKLROICSQOW-UHFFFAOYSA-N", "SMILES:Cc1cccc(OCC(=O)Nc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDXCFLBCNWMCLR-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1)Nc1ccc(-c2coc3cc(O)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHODRACXVZZOH-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2ccccc12)Nc1ccc(-c2coc3cc(O)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWLQKVVFBAGFA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1ccc(-c2coc3cc(O)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGGOXBZKHUXDGT-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2c(=O)c(-c3ccc(NC(=O)COc4ccccc4)cc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPKPQIDTNQPEEW-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2c(=O)c(-c3ccc(NC(=O)COc4cccc5ccccc45)cc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSJDPWPHGYGWQS-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2c(=O)c(-c3ccc(NC(=O)COc4ccccc4C)cc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXWVVLXMEOJVOW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWHPRNQTDRMKF-XHWNTTSFSA-N", "SMILES:CN(C)c1ccc(/C=C/C=C2\\C(=O)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVNFXIPJDHVJGE-REZTVBANSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLPMSFZJFPKFH-REZTVBANSA-N", "SMILES:COC(C)(C)CCC/C(C)=C/Cc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL512307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXLFQQZQWNCIS-OPOAMCISSA-N", "SMILES:C=C1C(=O)O[C@H]2/C=C(\\C)C[C@@H]3C=C(C/C=C/[C@@](C)(OO)CC[C@H]12)C(=O)O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL471694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTUGHLCKKNSTAF-JUXQZVFASA-N", "SMILES:C=C1C(=O)O[C@H]2/C=C(\\C)C[C@@H]3C=C(CC[C@@H](OO)C(=C)CC[C@H]12)C(=O)O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOSAYCASMYPAHW-UHFFFAOYSA-M", "SMILES:CCN1/C(=C/C=C/c2sc3ccc(OCCCO[N+](=O)[O-])cc3[n+]2CC)Sc2ccc(OCCCO[N+](=O)[O-])cc21.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNFXBYLTLRQHE-UHFFFAOYSA-M", "SMILES:CCN1/C(=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccc(OCCCO[N+](=O)[O-])cc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDDKYYYIPTDHA-UHFFFAOYSA-M", "SMILES:CCN1/C(=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccc(Oc3no[n+]([O-])c3-c3ccccc3)cc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUEQKBHOUWHPPG-UHFFFAOYSA-M", "SMILES:CCN1/C(=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKZLUCVFMYQMDK-UHFFFAOYSA-N", "SMILES:CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2208211", "category": ["biolink:ChemicalEntity"], "name": "ISOPROPYL ISOTHIOCYANATE", "xref": ["InChIKey:VHBFEIBMZHEWSX-UHFFFAOYSA-N", "SMILES:CC(C)N=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFJIDJGIQOYFY-UHFFFAOYSA-N", "SMILES:CCC(C)N=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDDRJXKROCWRZ-UHFFFAOYSA-N", "SMILES:CC(C)CN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKIHGKNFJKJXPX-UHFFFAOYSA-N", "SMILES:C=CCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBISBKDNOKIADM-UHFFFAOYSA-N", "SMILES:C=CCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFHVMFZOJHYGN-UHFFFAOYSA-N", "SMILES:C=CCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXOJFDWZWNRLN-UHFFFAOYSA-N", "SMILES:C=CCCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3186484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKSCZJUIURGMW-UHFFFAOYSA-N", "SMILES:CSCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBVIMVJTUQNSEP-UHFFFAOYSA-N", "SMILES:CSCCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL574688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBXPFAXPUDDTK-UHFFFAOYSA-N", "SMILES:CSCCCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDIRGNDMTOGVRB-UHFFFAOYSA-N", "SMILES:CSCCCCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3593946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATKWJXUJUNLTFU-UHFFFAOYSA-N", "SMILES:Oc1ccc(CN=C=S)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL170724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUSFAZPHIPJRR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(C3CCCC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3596523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGXBXPAOGDDIG-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3596540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTHCPSJOPLMQL-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cn(-c2cc(Cl)ccc2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3596497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXKFYUFLBHBAC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCOc1cc(C)oc(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3596952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYJGOKTIPSUCV-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(-c3ccc(F)cc3F)cc2c(=O)n1-c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3596956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZBQAIKIQXMQCY-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(-n2c(=O)oc3ccc(-c4ccc(F)cc4F)cc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504369", "category": ["biolink:ChemicalEntity"], "name": "NICOXAMAT", "xref": ["InChIKey:IYCHDNQCHLMLJZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccnc1"], "synonym": ["Nicoxamat", "Nicoxamate", "NSC-13997"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL454652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNTVAYNXKPCFK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHAKDXUQTPKYSC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc[n+]([O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODOQPRLYSBBHR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL154302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFSSMGSFESHVQM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NO)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3597831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFZOYLGYXYFNOP-UHFFFAOYSA-N", "SMILES:CN(C(=O)CN(CC(=O)NCC1CCCCN1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1.Cl"]}
{"name": "Adenosylhomocysteinase", "xref": ["CHEMBL.TARGET:CHEMBL2664"], "id": "UniProtKB:P23526", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTLBNQJECHGHB-VQIWEWKSSA-N", "SMILES:CN(C(=O)CN(CC(=O)NC[C@H]1CCCN1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTLBNQJECHGHB-UQIIZPHYSA-N", "SMILES:CN(C(=O)CN(CC(=O)NC[C@@H]1CCCN1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBTRWXFSXLDMOX-UHFFFAOYSA-N", "SMILES:CN(C(=O)CN(CC(=O)NC1CCNC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCLHATGSYAGKIP-UHFFFAOYSA-N", "SMILES:CN(C(=O)CN(CC(=O)NC1CCCNC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTAYQDNQNBGUEM-UHFFFAOYSA-N", "SMILES:CC(C)NCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPYSINZQOBROZ-UHFFFAOYSA-N", "SMILES:CCNCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVNWGULYAKIJCU-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAKLKIOECYYOOA-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3cccc(Cl)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYBWWXRRUUDIH-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWCHHKZSOPTED-UHFFFAOYSA-N", "SMILES:FC(F)(F)Sc1cccc(Nc2nc(-c3cccc(Cl)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKLRLHCOGLMLI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2csc(Nc3cccc(SC)c3)n2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQIQTBQWBAGCH-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPLRFPYQILXPI-UHFFFAOYSA-N", "SMILES:CCc1ccc(Nc2nc(-c3cccc(Cl)c3)cs2)cc1SC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBWIZRHNOIXICP-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3cc(Cl)ccc3O)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAHZVYMQBNJSKW-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFDILBNGBDIKF-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQKMIUPVZBOLQ-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3cc(Cl)cc(C(F)(F)F)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJSFUHUWFHZMQ-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3cc(Cl)c(O)c(Cl)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYYHUEUZLWSESQ-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMLIDDSORDBMLM-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3ccc(F)c(Br)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZCPLFRJNAHIV-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3ccc4sccc4c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWQWDVFQCWRUJQ-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3cccs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUSXNDXYDMXHQ-VTDRKZPZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(C3(C(F)(F)F)N=N3)cc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077259", "category": ["biolink:ChemicalEntity"], "name": "BISLEUCONOTHINE A", "xref": ["InChIKey:HHCOPHVLECRPRE-UQYJQATHSA-N", "SMILES:CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@H](c4ccc(O)c5c4N[C@@H]4CC[C@@]6(CC)CCCN7CC[C@@]54[C@H]76)C1)[C@H]32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3601648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLRRQKYPYGJMPK-WEVVVXLNSA-N", "SMILES:COc1cc(C=O)ccc1OC(=O)COC(=O)/C=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYCZSHRCKUMEV-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)ccc1OC(=O)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXBWCOLFGNQMA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNc1ccc2c3c(cccc13)C(=O)N(CCCN1CCCNCCNCCCNCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLEIDDHHJCDRNS-UHFFFAOYSA-N", "SMILES:CCCCCCCCNc1ccc2c3c(cccc13)C(=O)N(CCCN1CCCNCCNCCCNCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIKOIVOIFAZRT-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCN1C(=O)c2cccc3c(NCCN4CCCNCCNCCCNCC4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWRGIUKWFQZMSF-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1C(=O)c2cccc3c(NCCN4CCCNCCNCCCNCC4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCCFHZGIUNAJU-UHFFFAOYSA-N", "SMILES:CCCCCCCC[Si](CCC)(CCC)CCCCCCCC(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXMFTWIZARXATM-UHFFFAOYSA-N", "SMILES:CCCCCCCC[Si](CC)(CC)CCCCCCCC(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSTRSXGSBXYUOR-UHFFFAOYSA-N", "SMILES:CCCCCCCC[Si](C)(C)CCCCCCCC(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDCHAUIKNVZSI-UHFFFAOYSA-N", "SMILES:CCCCCCC[Si](CC)(CC)CCCCCCCC(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYBKOKHSJYCIT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1cc(Br)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARYPENZOQCONP-UHFFFAOYSA-N", "SMILES:CC(=O)n1cc(Br)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJNVUQEXKTTJI-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(Br)c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHVCSCWHWMSGTE-UHFFFAOYSA-N", "SMILES:Cc1cc(O)nc(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSDBKAHWADVXFU-UHFFFAOYSA-N", "SMILES:Cn1ccc(=O)n(C)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1233360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBGXEHEIRGOBU-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CO)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL24147", "category": ["biolink:ChemicalEntity"], "name": "RESORCINOL", "xref": ["InChIKey:GHMLBKRAJCXXBS-UHFFFAOYSA-N", "SMILES:Oc1cccc(O)c1"], "synonym": ["Resorcinol", "Resorcinol", "Resorcin", "Benzene-1,3-diol", "C.i. oxidation base 31", "Resorcinum", "C.I.-76505", "FEMA NO. 3589", "NSC-1571", "D.d.d.", "Tilloderm"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL280998", "category": ["biolink:ChemicalEntity"], "name": "CATECHOL", "xref": ["InChIKey:YCIMNLLNPGFGHC-UHFFFAOYSA-N", "SMILES:Oc1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL14060", "category": ["biolink:ChemicalEntity"], "name": "PHENOL", "xref": ["InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N", "SMILES:Oc1ccccc1"], "synonym": ["Phenol", "Phenol", "Phenol", "2-allphenol", "Carbolicum acidum", "Liquefied phenol", "Liquified phenol", "Phenic acid", "Phenol", "Phenol, liquified", "Phenol,liquified", "Phenylic alcohol", "ENT-1814", "NSC-36808", "Chloraseptic", "S.b. ward", "Salicylic acid related compound c"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3600707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJJBZALXBSSBSQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2ccc3c(c2)CCN(CC(=O)NCc2ccccc2)C3Cc2ccc(OC)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQRVCDZYLNZADD-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCOc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)C2Cc1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHVXVHKHGIXKRO-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2c3ccc(NCCCC(=O)OC(C)(C)C)cc3CCN2CC(=O)NCc2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOZJVPQFZSCGTE-WIYYLYMNSA-N", "SMILES:COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAODJRFNNYWTNF-GTHGGJTNSA-O", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccc(N=[N+]=[N-])cc4)NC(=O)[C@H](Cc4ccc(N=[N+]=[N-])cc4)NC(=O)CCCNC(=O)[C@]4(Cc5cccc(Nc6nccs6)n5)CC[C@@H](Oc5cccc(Cl)c5F)CC4)C(N)=O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWFXBLOCRMTTTR-GTHGGJTNSA-O", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)CCCNC(=O)[C@]4(Cc5cccc(Nc6nccs6)n5)CC[C@@H](Oc5cccc(Cl)c5F)CC4)C(N)=O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZCYNAMYHOXYCD-GTSHVVKHSA-O", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccc(C(=O)c5ccccc5)cc4)NC(=O)[C@H](Cc4ccc(C(=O)c5ccccc5)cc4)NC(=O)CCCNC(=O)[C@]4(Cc5cccc(Nc6nccs6)n5)CC[C@@H](Oc5cccc(Cl)c5F)CC4)C(N)=O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUPTXCZKZNDECK-QTKBVYGSSA-O", "SMILES:CCN1/C(=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)[C@@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)CCNC(=O)[C@]2(Cc3cccc(Nc4nccs4)n3)CC[C@@H](Oc3cccc(Cl)c3F)CC2)C(N)=O)c2cc(S(=O)(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUPTXCZKZNDECK-RSSQFEJJSA-O", "SMILES:CCN1/C(=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)CCNC(=O)[C@]2(Cc3cccc(Nc4nccs4)n3)CC[C@@H](Oc3cccc(Cl)c3F)CC2)C(N)=O)c2cc(S(=O)(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUMFLJDHUBKMO-UHFFFAOYSA-N", "SMILES:Cc1cc2c(ccc3c(=O)cc(-c4ccccc4)oc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATEBPIVIGFANOA-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc(O)c3c(=O)cc(-c4ccccc4)oc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFTQGCAPOXTSAY-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc3c(c2o1)C=CCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMJSLPJYTAKVLJ-CQVJSGDESA-N", "SMILES:C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAFLOHSEBBJDEQ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2OC2c3[nH]c4ccc(O)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEUTIZWTJNPMW-UHFFFAOYSA-N", "SMILES:O=C1c2cc(O)ccc2OC2c3[nH]c4ccc(O)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYPXWPYCSGGAGC-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(O)cc34)C1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQALEHDYQBLDSM-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Cl)ccc2OC2c3[nH]c4ccc(O)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOZSPCORSJTPC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2S(=O)(=O)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAKBUQNTXSLPPL-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Cl)ccc2SC2c3[nH]c4ccc(O)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRXEFQDOZGSKH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(O)cc34)C1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVLMJLBOLHZEAA-UHFFFAOYSA-N", "SMILES:O=C1c2cc(O)ccc2SC2c3[nH]c4ccc(O)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KORBPVDTBXVBJG-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2SC2c3[nH]c4ccccc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPHZTFKVKQMMAC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2SC2c3[nH]c4ccc(O)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFNHCGFQHSIASA-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)ccc2SC2c3[nH]c4ccccc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQICASVICNOXOP-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Cl)ccc2SC2c3[nH]c4ccccc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAQRZXLSOPKCM-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2SC31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSHLXDNFFHWNE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Cl)ccc2SC31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHUGLZHLZIFCMV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(OC)cc34)C1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQPRASDUYZONRT-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Br)ccc2SC31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXBFMHQJNCOOPN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)C2c3[nH]c4ccccc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRVDOLSKFOCGEZ-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2SC2c3[nH]c4ccccc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJVIADIPFHIDP-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)ccc2SC2c3[nH]c4ccc(O)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNVXFKBEOYZFQY-CIASHKIISA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccc(/C=C2\\SC(=O)N(CC3CCCCC3)C2=O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c1ccccc1"]}
{"name": "Genome polyprotein", "xref": ["CHEMBL.TARGET:CHEMBL5419"], "id": "UniProtKB:P06935", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11082"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418068", "category": ["biolink:ChemicalEntity"], "name": "RHEIN", "xref": ["InChIKey:FCDLCPWAQCPTKC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"], "chembl_natural_product": true}
{"name": "Macrophage scavenger receptor types I and II", "xref": ["CHEMBL.TARGET:CHEMBL4399"], "id": "UniProtKB:P30204", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445268", "category": ["biolink:ChemicalEntity"], "name": "SENNOSIDE B", "xref": ["InChIKey:IPQVTOJGNYVQEO-AIFLABODSA-N", "SMILES:O=C(O)c1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3600757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZCRXIUFMBZXPZ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C#N)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGSFECOXFPKGP-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGUBBNSDLAZEQE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C(C)=O)c2ccccc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTAUGTZBLILHLD-VIZOYTHASA-N", "SMILES:Oc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2424783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWNPAYUIEZTOAI-UHFFFAOYSA-N", "SMILES:O=Cc1cc(Cc2ccccc2Cl)cc([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USPMIJCAMCULDC-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(F)cc1)c1ccc(O)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNAHTJHEMRAQHK-IUCKCMELSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLPKFEIHGKNISM-BZZBYGRJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCKOQDWQKSYTC-MYQVESMYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKNDXALUSFQZAX-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccc(C#Cc3ccc(OCCN4CCCC4)cc3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWQLUXHEVKAZSK-UHFFFAOYSA-N", "SMILES:CC1CCN(CCOc2ccc(C#Cc3ccc(-c4ccc(Cl)cc4)cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYGDXANIBQBNCG-BAOJUYLCSA-N", "SMILES:Cc1cc(Nc2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(-c3nc4ccccc4s3)cn2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWUVRWXZPRGNM-BMZZKGLRSA-N", "SMILES:Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZAHNCINSQBRFG-TYFWRSTJSA-N", "SMILES:Cc1cc(Nc2ncc(-c3nc(-c4ccccc4)cs3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGXCBYVBIJACEK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSJOMXUZWBKMB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CNc2nc(Nc3cnn(CCO)c3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDJJMFQQXOEPJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CNc2nc(Nc3cnn(CCOC)c3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEFQQWLDJYHNNX-OLWNVYNHSA-N", "SMILES:C=CC(=O)Nc1cccc(CNc2nc(Nc3cnn(CCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)c3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1789941", "category": ["biolink:ChemicalEntity"], "name": "RUXOLITINIB", "xref": ["InChIKey:HFNKQEVNSGCOJV-OAHLLOKOSA-N", "SMILES:N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1"], "synonym": ["Ruxolitinib", "Ruxolitinib", "Ruxolitinib", "Ruxolitinib", "Ruxolitinib", "Ruxolitinib, s-", "S-ruxolitinib", "INC-424", "INC424", "INCB-018424", "INCB-18424", "INCB018424", "Jakavi", "Ruxolitinib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3605774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZPYRHJDUKTQPR-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc(NC5CC5)nc4)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTEKTGDVSARYDS-LLVKDONJSA-N", "SMILES:CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1531257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFGFFNPPTDOYLI-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)nc2ccccc2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVDFNBZJUIHHZ-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3c1C1CCCCC1S3)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMKDUHUYYITGE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc[nH]n2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWJMRDJPWAQDI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVURDXDDOIWLAP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3n[nH]c4ccccc34)cc(N3CCN(C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRMHXCBHWGQUMV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc3c(cc2c(=O)n1CCc1nc(-c2ccc(C(F)(F)F)cc2)no1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVIFYNRASKGIO-BKUYFWCQSA-N", "SMILES:O=C(COc1ccccc1/C=C1\\NC(=O)N(Cc2ccccc2F)C1=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSHDWDJCNTEJX-YBEGLDIGSA-N", "SMILES:CCOc1cc(/C=C2\\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALEUULBCAKDXEM-ZVHZXABRSA-N", "SMILES:COc1ccccc1C(=O)N/N=C/c1cc(Cc2ccccc2Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BACUOQUEHLTBIV-JTQLQIEISA-N", "SMILES:C[C@H]1Cn2c(nnc2-c2cc(F)ccn2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPTLIGPRZNCUDE-VIFPVBQESA-N", "SMILES:C[C@H]1Cn2c(nnc2-c2ncc(F)cn2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AACREYRHBBEZTH-JTQLQIEISA-N", "SMILES:C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULCYNKNDJVWBS-NSHDSACASA-N", "SMILES:COc1ccnc(-c2nnc3n2C[C@H](C)N(C(=O)c2cccc(Cl)c2Cl)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IITDXWDZXDVZRA-JTQLQIEISA-N", "SMILES:C[C@H]1Cn2c(nnc2-c2cccc(F)n2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWTYBBRWSXSDAS-NSHDSACASA-N", "SMILES:C[C@H]1Cn2c(nnc2-c2ccccn2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBALFSAMBBBIDC-JTQLQIEISA-N", "SMILES:C[C@H]1Cn2c(nnc2-c2cnccn2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSIPEUHWMRBWAI-JTQLQIEISA-N", "SMILES:C[C@H]1Cn2c(nnc2-c2cnccn2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTOQBQDAYTWPS-NSHDSACASA-N", "SMILES:C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKYBEUSNCUHQO-LLVKDONJSA-N", "SMILES:C[C@@H]1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKYBEUSNCUHQO-NSHDSACASA-N", "SMILES:C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRYOMVAVRZUMD-NSHDSACASA-N", "SMILES:C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRYOMVAVRZUMD-LLVKDONJSA-N", "SMILES:C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWWENBLBXGTGG-UHFFFAOYSA-N", "SMILES:CC1Cn2c(nnc2-c2ccccc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXDJVUZQAGWAO-UHFFFAOYSA-N", "SMILES:CC1Cn2c(nnc2-c2ccccc2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJVOXZSUBHRRY-UHFFFAOYSA-N", "SMILES:CC1c2nnc(-c3cnccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEOVYTUZTURCQK-UHFFFAOYSA-N", "SMILES:CC1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLDZWHUAGAZTE-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)Cc2nnc(-c3ccc(F)cc3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZFBDSBFUYCNMB-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnc(-c3ccc(F)cc3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTOQBQDAYTWPS-UHFFFAOYSA-N", "SMILES:CC1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKYBEUSNCUHQO-UHFFFAOYSA-N", "SMILES:CC1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFIVNQALZJXDAJ-UHFFFAOYSA-N", "SMILES:CC1c2nnc(-c3ccc(F)cc3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZSYSCZGKCDPI-UHFFFAOYSA-N", "SMILES:CC1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRYOMVAVRZUMD-UHFFFAOYSA-N", "SMILES:CC1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2218589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXSPIMMMGDAPS-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2218680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFABBPVMYKHOQR-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIZVTBZIIDCETJ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ccccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2218122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWLJSSXNGFMYKM-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2218113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQZZNUTSSFRSV-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DALKCVMSYFMKDO-LIMNOBDPSA-N", "SMILES:N#Cc1ncn(Cc2ccccc2Cl)c1/N=C/c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBNBJBFLLOJIPF-BHGWPJFGSA-N", "SMILES:N#Cc1ncn(Cc2ccccc2Cl)c1/N=C/c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTSQXRFRIJBUMU-UHFFFAOYSA-N", "SMILES:N#Cc1ncn(Cc2ccccc2Cl)c1NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFDKBBUHAFDJFS-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTWMJWBAQRNTIS-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNLOOZHRPDURJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGBMCLDVRUGXOV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XALDLFKGWQFHOV-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)nc3)cc2C1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJMWQHSXUKHPQ-VOTSOKGWSA-N", "SMILES:COc1ccccc1C(=O)/C=C/c1ccncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFTCFRZBYDFDPE-VOTSOKGWSA-N", "SMILES:COc1ccccc1C(=O)/C=C/c1cnccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKLBNEGMGKQFIB-CMDGGOBGSA-N", "SMILES:COc1ccccc1C(=O)/C=C/c1ncccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPJWXKOHCZQCI-VOTSOKGWSA-N", "SMILES:COc1ccncc1C(=O)/C=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZZGAOSDFVNHB-VOTSOKGWSA-N", "SMILES:COc1cnccc1C(=O)/C=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILQADRCJYUVSEN-ZZXKWVIFSA-N", "SMILES:O=C1NC(=S)N/C1=C/c1ccc(=O)[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSWTVREIULVFV-QPJJXVBHSA-N", "SMILES:CN1C(=O)/C(=C\\c2ccc(=O)[nH]c2)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZGSWYIXVMETJ-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)C1(NC(=O)c2ccc(Cl)cc2N)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQZUZVIKTWMTQ-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)C1(NC(=O)c2ccc(Br)cc2N)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEJGUCSKQVFSJQ-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)C1(NC(=O)c2ccc(N)c(F)c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1458713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTLYEAJONXGNFG-HBNTYKKESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3605502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKRXEASUUGCMM-NRFANRHFSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@@H](c3ccccc3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKRXEASUUGCMM-OAQYLSRUSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](c3ccccc3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEVGGGODZSGHA-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC2=NC(c3cccc(F)c3)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEBDYPIIBQKLB-LLVKDONJSA-N", "SMILES:CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(C(F)(F)F)cc21"]}
{"name": "Sphingosine 1-phosphate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1914262"], "id": "UniProtKB:O08530", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXYCPLCNZQYIO-LLVKDONJSA-N", "SMILES:CCn1c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)nc2ccc(C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTSVWTOOIVCRTC-GFCCVEGCSA-N", "SMILES:CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJGSXJUGPDQLPJ-PASVRIBUSA-K", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)([O-])CP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1F.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNFKDQKLRLHCD-FCIXCQMASA-K", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1F.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSNYIRHUVFCSOM-FCIXCQMASA-K", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)([O-])C(F)(F)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1F.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQEBDIDYPWVLFV-PASVRIBUSA-K", "SMILES:COc1cn([C@@H]2O[C@H](COP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVFBSMJNYYOALZ-PASVRIBUSA-K", "SMILES:COc1cn([C@@H]2O[C@H](COP(=O)([O-])C(F)(F)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCEVZZMHSVWXHD-SPSULGLQSA-K", "SMILES:O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])CP(=O)([O-])[O-])O2)cc1F.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRPGICIYZNFZHC-YYWCTZDQSA-J", "SMILES:O=c1[nH]c(=O)n([C@H]2C[C@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O2)cc1F.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFFKWPZIMRFLQ-WFIJOQBCSA-L", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])OS(=O)(=O)[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRXCLNDPESBJHL-CKNDUULBSA-N", "SMILES:CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL506069", "category": ["biolink:ChemicalEntity"], "name": "GERANIIN", "xref": ["InChIKey:JQQBXPCJFAKSPG-SVYIMCMUSA-N", "SMILES:O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3604282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYRPZMYTPWHMM-UHFFFAOYSA-N", "SMILES:C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEULLQVXTDRYFU-UHFFFAOYSA-N", "SMILES:C=CCN1CC2CCC(C1)N2C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADXIKFNLNFDLC-UHFFFAOYSA-N", "SMILES:C=CCN1CC2CC(C1)N2C(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1"]}
{"name": "5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase", "xref": ["CHEMBL.TARGET:CHEMBL1250346"], "id": "UniProtKB:P0AF14", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83334"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBWFCMBRYMHQOO-UHFFFAOYSA-M", "SMILES:C=C(CCCCCCCCCCCCCCCC)S(=O)(=O)CCC[N+](C)(C)C.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL516702", "category": ["biolink:ChemicalEntity"], "name": "HARPAGOSIDE", "xref": ["InChIKey:KVRQGMOSZKPBNS-FMHLWDFHSA-N", "SMILES:C[C@]1(OC(=O)/C=C/c2ccccc2)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21"], "chembl_natural_product": true}
{"name": "Secreted mono- and diacylglycerol lipase LIP1", "xref": ["CHEMBL.TARGET:CHEMBL3608197"], "id": "UniProtKB:A8PUY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:425265"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOTJNZZCJCTOOG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Oc2ccc3ccc(O)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBFIWWKUYANGG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(=S)n(CC(=O)c2ccccc2)c1"]}
{"name": "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2", "xref": ["CHEMBL.TARGET:CHEMBL3608199"], "id": "UniProtKB:Q8CIH5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMDYOSXMFJBKMG-SSOHWWCMSA-N", "SMILES:COc1cccc(C(=O)O[C@@H]2[C@@H]3[C@@H](OC(=O)c4cccc(OC)c4)[C@]4(CC[C@H]5[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@@H]2C)C5(C)C)CO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXTAHJXUBIGYSD-RYIKTBCASA-N", "SMILES:C/C1=C\\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)c3cccs3)[C@H]3[C@@H](OC(=O)c4cccs4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWMGOILQPDSAQ-SFOAQOJCSA-N", "SMILES:CO[C@H]1[C@@H]2[C@H](CC[C@]3(COC(=O)c4ccccc4)O[C@@H]3[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)C(=O)[C@@H]1C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220746", "category": ["biolink:ChemicalEntity"], "name": "CUDRAFLAVANONE A", "xref": ["InChIKey:XPMCEWWRVJLSLM-NRFANRHFSA-N", "SMILES:CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1cc3c(cc1O)OC(C)(C)C=C3)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3609372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINGHOPGNMYCAB-INIZCTEOSA-N", "SMILES:CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQUPIDNZUATULU-FSJBWODESA-N", "SMILES:COc1cc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3608550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBFSOOUBBFCSKA-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2c(C(=O)Nc3ccc(Oc4ccnc5cc(-c6cn(C)cn6)sc45)c(F)c3)cnn2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3608551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXWRJKJKIGCZER-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5-c5cccnc5)cc4F)c3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3608786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVUIOVIUFJGHO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255863", "category": ["biolink:ChemicalEntity"], "name": "NILOTINIB", "xref": ["InChIKey:HHZIURLSWUIHRB-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1"], "synonym": ["Nilotinib", "Nilotinib", "Nilotinib", "Nilotinib", "AMN 107", "AMN-107", "AMN107", "NSC-747599", "Nilotinib", "Nilotinib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1339821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJWAWAODSXWTI-DHZHZOJOSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPYYDRVIKSEUEF-DHZHZOJOSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQAIHDTNUFGOQ-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(C)cc1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGIKRIGEPSHLNQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1cccc(Sc2ccnc3ccsc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGHGYPCJAAGRCQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGMXDMWWJXSSGT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)Nc1cccc(Sc2ccnc3ccsc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQLIQOBMJQSDY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)Nc1cccc(Sc2ccnc3ccsc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJOJUMZZICUZST-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMZUHOEKLJOCS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Sc2ccnc3ccsc23)c1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGCJHOIXCBVDX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Sc2ccnc3ccsc23)c1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGFPZGVBASJTKW-UHFFFAOYSA-N", "SMILES:COc1nn(Cc2cccc(N)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBXJIQLJWDYRGA-UHFFFAOYSA-N", "SMILES:Nc1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1"]}
{"name": "Monoacylglycerol lipase ABHD6", "xref": ["CHEMBL.TARGET:CHEMBL2189127"], "id": "UniProtKB:Q9BV23", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJEJIRXLXIFOMS-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(OP(O)(=S)Oc3ccc4c5c(c(=O)oc4c3)CCCC5)ccc2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUGGGTGOKAHMSO-UHFFFAOYSA-N", "SMILES:COP(=S)(Oc1ccc2c3c(c(=O)oc2c1)CCCCC3)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPMRXYCVFOGEI-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(OP(=S)(Cl)Oc3ccc4c5c(c(=O)oc4c3)CCCC5)ccc2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1180634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHTUJKNDCNRDK-UHFFFAOYSA-N", "SMILES:CCCNCC1CCc2ccc(O)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMUPCYORZHHTBX-ZAPAOSNUSA-N", "SMILES:CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTIPANYRNCQASG-ARHHNASGSA-N", "SMILES:CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYQPTKAJYPXPW-VBZSYHMBSA-N", "SMILES:CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRRDBCZMMUBGNF-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYKYBVYKSTHEV-RSBOXOOMSA-N", "SMILES:CC[Si](CC)(CC)O[C@@H]1CCC[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZASFOJVNSQXLC-VABKMULXSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRWIMNXQXLLYDR-VABKMULXSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMXZMZJQYOUSK-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCN1c2ccccc2Sc2ccc(Cl)cc21)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYOJMNDDVVEPFN-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCN1c2ccccc2CCc2ccc(Cl)cc21)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCOOHUTISQYCI-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPQNJSOYXOMPAY-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCN1CCOCC1)c1ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPAHAORQXVPTFT-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)c2c3c(n4ccccc24)C(=O)c2ncccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYNKUJHCCKLFU-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCN1CCCC1)c1ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRCYQRHUOROGW-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZKRMWOMVBGNO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJDUJLCJILSBH-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCN1CCCCC1)c1ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWCCXCRLCHTKR-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCN1CCOCC1)c1ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBPEQKHTRZKEW-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCNC(=O)c2c3c(n4ccccc24)C(=O)c2ncccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTBAPVKDMSRDY-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCN1CCCC1)c1ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATANYSNZPXVHP-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCCCC1)c1ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVZCMBJSRRXMRW-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCCCC1)c1ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMEJZBGTPMODEK-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCOCC1)c1ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRKCTWVZOEVKA-UHFFFAOYSA-N", "SMILES:O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCCC1)c1ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLYJCOHYZSWIA-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(-c3cn(-c4noc5ccccc45)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCZLACEZABOFR-UHFFFAOYSA-N", "SMILES:CC1=CC(c2ccccc2)NC(=S)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBDLWZCHDMKEW-UHFFFAOYSA-N", "SMILES:CC1=CC(c2ccccc2[N+](=O)[O-])NC(=S)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNDUKAXRORGCW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQIYNAWJFAUJBY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3N(S(=O)(=O)c3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNLOWPEDUXZCE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOAVDYZAPQBOES-SAPNQHFASA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)/C=C/c3ccccc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIWCNATXVWMIG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL155285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSJNRONUCRMMKI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccco3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGXGABSDMWRBM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZASTBIDWCFCGN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLQODIVTXFDKD-VQHVLOKHSA-N", "SMILES:C#CCCOC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKNBFLZWBYQET-QHKWOANTSA-N", "SMILES:CC(=O)Oc1ccc(/C=C/C(=O)OCCCn2cc(CCOC(=O)/C=C/c3ccc(OC(C)=O)c(OC(C)=O)c3)nn2)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECUNZDQMSGENY-ZRDIBKRKSA-N", "SMILES:CC(=O)Oc1ccc(/C=C/C(=O)OCCc2cnnn2CCCOC(=O)C2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNIURSGRFSKVEF-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(Cc2cccc3ccccc23)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHOWRMNYYPMPP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccccc2)CCC1"]}
{"name": "Alpha-ketoglutarate-dependent dioxygenase FTO", "xref": ["CHEMBL.TARGET:CHEMBL3611964"], "id": "UniProtKB:Q8BGW1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOHJVLKORVKWSJ-ROMRHYSTSA-N", "SMILES:Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJOBSOWAXPPJPA-RRLIAEKXSA-N", "SMILES:Cc1ccc(Cn2cc(C(=O)NC[C@@H]3CCC4C[C@@H]3C4(C)C)cc2-c2ccc(Cl)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL381791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGVYNSRNKFXQM-XRHWURSXSA-N", "SMILES:Cc1ccc(Cn2nc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTDXOGJMXIITH-UHFFFAOYSA-N", "SMILES:C1=C2c3cc4c(cc3CCN2Cc2c1ccc1c2OCO1)OCO4"], "chembl_natural_product": true}
{"name": "X-box-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1741176"], "id": "UniProtKB:P17861", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMUNRKMYZOSRSH-UHFFFAOYSA-M", "SMILES:Cc1c2[n+](cc3c4c(ccc13)OCO4)CCc1cc3c(cc1-2)OCO3.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3614046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCVTTBTKFEOCV-UHFFFAOYSA-N", "SMILES:CC1=C2c3cc4c(cc3CCN2Cc2c1ccc1c2OCO1)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3614047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOACGQBBBLAIM-UHFFFAOYSA-N", "SMILES:CC(=O)CC1c2c(ccc3c2OCO3)C=C2c3cc4c(cc3CCN21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYCZVJSBCHQQB-UHFFFAOYSA-N", "SMILES:N#CC1c2c(ccc3c2OCO3)C=C2c3cc4c(cc3CCN21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRXGFNGKOYQNS-UHFFFAOYSA-M", "SMILES:Fc1ccc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)c(F)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFARXEMZKQDMTC-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSPIOPAIFXBHS-UHFFFAOYSA-M", "SMILES:Fc1cccc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSPUHMCENTOIU-UHFFFAOYSA-M", "SMILES:Fc1ccc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUEHGJDZBCATJQ-UHFFFAOYSA-M", "SMILES:Fc1ccccc1Cc1c2[n+](cc3c4c(ccc13)OCO4)CCc1cc3c(cc1-2)OCO3.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3331138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZPJHUYVNVCAC-UHFFFAOYSA-M", "SMILES:COc1ccc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERXBAQCQWXVAF-UHFFFAOYSA-N", "SMILES:Fc1ccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFLNBWPRGBBCDL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGKKTKUMZNRIND-UHFFFAOYSA-N", "SMILES:Fc1cccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUHDQWZFIKVORG-UHFFFAOYSA-N", "SMILES:Fc1ccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFVBCYSJMWTEBK-UHFFFAOYSA-N", "SMILES:Fc1ccccc1CC1=C2c3cc4c(cc3CCN2Cc2c1ccc1c2OCO1)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLZYZUJWNNIFG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHJJVXOUHBBGU-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUNUAQIQQYUQG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCAFJBSQKXVPDX-UHFFFAOYSA-N", "SMILES:O=c1c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3612190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJUQLGSHASMMRU-UHFFFAOYSA-N", "SMILES:C1=CC2CC=CCN2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLJUBZLCUKKJLU-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1904421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAQOZOILPAMFSW-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3618482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODIPDNKSGGZOKP-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBRNHDJYYOJNPV-NVNXTCNLSA-N", "SMILES:O=C1S/C(=C\\c2cc(Cl)ccc2O)C(=O)N1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3618483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPURTJDKZTSBI-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(Nc2nc(-c3ccc(O)cc3O)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAWCTJZEOWMYTA-PVZDWBGRSA-N", "SMILES:O/N=C(\\C=C\\c1ccccn1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEHZBQCLASJCR-CUNZPLHLSA-N", "SMILES:O/N=C(\\C=C\\c1cccnc1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBZDWMURTIRIFP-AAUJSHSYSA-N", "SMILES:O/N=C(\\C=C\\c1ccncc1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOOGNMTMIFHSW-FHZAAABNSA-N", "SMILES:COc1ccc(/C=C/C(=N\\O)c2cc3ccccc3cc2O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHVGLYSWHLEDFD-IKVRNCAISA-N", "SMILES:COc1ccc(OC)c(/C=C/C(=N\\O)c2cc3ccccc3cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMHGEVBVKIAZTE-VPKAOOEUSA-N", "SMILES:COc1ccc(/C=C/C(=N\\O)c2cc3ccccc3cc2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXTLPYQRXVCXMB-SMHSOALZSA-N", "SMILES:COc1cc(/C=C/C(=N\\O)c2cc3ccccc3cc2O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3305012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORWTHRDUPNKGT-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(Oc2cccc(NC(=N)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459016", "category": ["biolink:ChemicalEntity"], "name": "GENIPIN", "xref": ["InChIKey:AZKVWQKMDGGDSV-BCMRRPTOSA-N", "SMILES:COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12"], "synonym": ["Genipin"], "chembl_natural_product": true}
{"name": "D-aspartate oxidase", "xref": ["CHEMBL.TARGET:CHEMBL5887"], "id": "UniProtKB:Q99489", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWOCPJRQIPGIJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn2cnnc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1491941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYIORJAACCWFPU-UHFFFAOYSA-N", "SMILES:Nc1cncc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWPDWJZMWWTQF-QNMIOERPSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)Nc3ccc(C(F)(F)F)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHIJROZOYLYDOB-ULBKPHCJSA-N", "SMILES:COc1ccc(NC(=S)N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWCJWBBXUPWBK-UHFFFAOYSA-N", "SMILES:COc1nc2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPFXBPDSHXSSHA-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2ncc3c2CCc2cc(S(=O)(=O)c4ccccc4)c(OC)nc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOPXOHAGRIFDU-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccc3c(cnn3-c3ccc(Cl)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFKWIXZHXRKFGL-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2ncc3c2ccc2cc(S(=O)(=O)c4ccccc4)c(=O)n(C)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUOECJLFIDNSJ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOLWDPAUKSMQI-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3F)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNPZDDKYIFICGX-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(F)c3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSMXSGBRGRDPQ-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXQRNXDPTQTNGB-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3F)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWASULNSAUODII-OAHLLOKOSA-N", "SMILES:Cc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYRIYHTCGCJAV-OAHLLOKOSA-N", "SMILES:Cc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXBAYYVDUZZGK-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3Cl)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLHYNOHSXJZLV-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cc3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCICPOULZQPGX-CQSZACIVSA-N", "SMILES:COc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRUMKIZBJUDMDO-CQSZACIVSA-N", "SMILES:COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USEXCVYSJAVKJK-CQSZACIVSA-N", "SMILES:COc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBCMUOODAYCHJ-OAHLLOKOSA-N", "SMILES:CCc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXIOMOGBYDDZES-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C#N)cc3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUELYFXCNFIYTQ-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3F)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBASTFUEMNZDNE-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVFUWPHGJGANW-CYBMUJFWSA-N", "SMILES:COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGUIRBNHGKTOPB-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXBXXEWXCXDUMT-CYBMUJFWSA-N", "SMILES:COc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLROKLGBBZKUNE-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDRWUVOKDOFEAT-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHXZMTZWHIARPT-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSGGQNSMUNJSKW-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWRZCNHUUIRBS-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVEOTHVAKQRPAZ-CQSZACIVSA-N", "SMILES:Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASPTVCAIZUMSQD-CQSZACIVSA-N", "SMILES:Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMWGQJFOSNUREQ-CQSZACIVSA-N", "SMILES:Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDKXWARCXQYIAT-CYBMUJFWSA-N", "SMILES:COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTFNCDLAAHIHN-CYBMUJFWSA-N", "SMILES:COc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTKANWJSMJTJIC-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFDLOJXOFDOYRQ-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2cccc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGXSTYESQRXGS-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQCZMAMHDUZIQK-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYTYOJBAMNYIF-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHGCAMRFRTVNB-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVEKCDJVMYTAFR-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2cc(F)cc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIYBZCGKVJEWIW-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2cc(F)cc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPFLOHQXYYSEHH-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2ncccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGVQJXXTURXJIB-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWFMCXPXSPBMQ-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)nc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCFSDAJLTQKCRZ-OAHLLOKOSA-N", "SMILES:Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRZBSAVSSXKDK-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(Cl)c3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMPKQXCCCBUHDD-CQSZACIVSA-N", "SMILES:Cc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOLOJLRTGJOOHZ-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cc(C(F)(F)F)ccn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSECFWDEDLOCNT-CYBMUJFWSA-N", "SMILES:COc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGIAVRPQXRUNF-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFUIKVGQYHKFQ-CQSZACIVSA-N", "SMILES:Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXLCPBBAUBBGQU-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSJFJAHROCGEA-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYAAZJQYLLTXKU-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKAZJCXUZRWPNM-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYNXGIRDDXRFS-CQSZACIVSA-N", "SMILES:Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKKBESIUKQKYJF-CQSZACIVSA-N", "SMILES:Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPHWUMREZIPGSU-CQSZACIVSA-N", "SMILES:Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMDMWMUPQKNAJR-CYBMUJFWSA-N", "SMILES:COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBCPLVFHKQAVKE-CYBMUJFWSA-N", "SMILES:COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEEXJDXBNCPWGK-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFBWAVTBOEFJJ-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2cc(F)ccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSAKNPPGWFFLD-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCQPJPDAYDVHLT-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQSJWXCQTOPMAK-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KACGPOODXPEZQJ-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPFZRYSJBAJKW-CYBMUJFWSA-N", "SMILES:COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3616489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHEHJUABDKEKSE-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2cccc(F)n2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXRVCJFGSOVYLG-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(c2cccnc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLFPSTUJYBEZIQ-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)CCC(=O)C1O"], "chembl_natural_product": true}
{"name": "CCAAT/enhancer-binding protein alpha", "xref": ["CHEMBL.TARGET:CHEMBL3616358"], "id": "UniProtKB:P53566", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Sterol regulatory element-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3616359"], "id": "UniProtKB:Q9WTN3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIEHVXGXJXATPF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSVWEYNSNZJEGB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2cn(-c3cccc(I)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYXAOKMQTJZWKH-VRECZCITSA-N", "SMILES:C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)[C@H]([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2cccc(O)c2C3=O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDWZKWJBCZABZ-RGJYXDCBSA-N", "SMILES:O=C1c2cc(CO)cc(O)c2C(=O)c2c1ccc([C@]1([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3cccc(O)c3C(=O)c3c(O)cc(CO)cc31)c2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL497001", "category": ["biolink:ChemicalEntity"], "name": "ALOIN", "xref": ["InChIKey:AFHJQYHRLPMKHU-CGISPIQUSA-N", "SMILES:O=C1c2c(O)cccc2C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21"], "synonym": ["Aloin", "Alloin", "Aloin a", "Aloins", "Aloinum", "Barbaloin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3617994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHJQYHRLPMKHU-WEZNYRQKSA-N", "SMILES:O=C1c2c(O)cccc2[C@@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3617995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZCVGOHQLRNJKQ-WEZNYRQKSA-N", "SMILES:Cc1cc(O)c2c(c1)[C@H]([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3617996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPDVJFRVYWYEV-SGAFVUFDSA-N", "SMILES:C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cccc(O)c2C3=O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3617998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNCINLMOTOIAGO-YBUUTYBHSA-N", "SMILES:C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)[C@](O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cccc(O)c2C3=O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQCXDERWRJMJQA-RUZDIDTESA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKKQEHHLXCTJE-OAQYLSRUSA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3616822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIYTQDSSDROKM-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)C(c1ccccc1F)OCC3(C)C"]}
{"name": "Nucleoprotein", "xref": ["CHEMBL.TARGET:CHEMBL3706556"], "id": "UniProtKB:P15682", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:381518"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3616839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTZRPWBVXTZBNA-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYXVAMLAJSGCDL-PLCQSOOISA-N", "SMILES:COc1ccc([C@@H](O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(OC)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3623807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVWQWKFFMYQVHJ-GQAPBGGVSA-N", "SMILES:COc1ccc(C(=O)COc2ccc([C@H]3O[C@H](c4ccc(OCC(=O)c5ccc(OC)c(OC)c5)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHJEWQMMKPCDY-HDEPOWLFSA-N", "SMILES:COc1cc([C@H]2O[C@H](c3ccc(O[C@H](C)C(=O)c4ccccc4)c(OC)c3)[C@H](C)[C@H]2C)ccc1O[C@H](C)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZZUKNCKHDUBAX-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)n1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NACFFUQANUZEAO-LLZINOMRSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc(/N=C2\\C(=O)N(CN3CCN(c4ccccc4)CC3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYMFAOTZHNONG-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1csc2nc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTUCMYOGRJBFIC-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3cncc(C(C)(C)O)c3)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDISRFPYOOBZRK-UHFFFAOYSA-N", "SMILES:COC(C)(C)c1cncc(-c2ccc3c(c2)CCc2nnc(C)n2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLROJLEAFXNIK-SFHVURJKSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3cncc([C@](C)(O)C(F)(F)F)c3)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623004", "category": ["biolink:ChemicalEntity"], "name": "AZD-9496", "xref": ["InChIKey:DFBDRVGWBHBJNR-BBNFHIFMSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F"], "synonym": ["Azd 9496", "Azd-9496", "Azd9496", "AZD9496"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRUJPWQYJMOGKB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABECVUABIRGFJZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(OC(C)C(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPKDWTFJVUOZOM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(NCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQUPHPLXUVSULY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(OC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRXWDLJAUYPGHI-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCn1cnc2cc(F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLGDGZYGRLYLRC-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(O)cc2c([nH]c3ccccc32)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKFOSSOUEAENMG-ACCUITESSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZRWYMNPQAKYJF-VZVVXEKASA-N", "SMILES:O=c1[nH]c(N2CCc3ccccc3C2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULGILJRGEZYUTK-UZLOOLQSSA-N", "SMILES:CC(C)c1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc2c(c1[N+](=O)[O-])CC[C@H]1[C@](C)(CNC(=O)/C=C/c3ccc(O)c(O)c3)CCC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYZAEHFMTZMQIM-UHFFFAOYSA-N", "SMILES:Oc1ccc2cc(-c3ccc(O)c(C(F)(F)F)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZWPFCNZIHDPAI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2cc(-c3ccc(O)c(O)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFTCQFHZEGDKBL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cc(-c3ccc(O)c(O)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFYNPVXFOIEJNS-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2cc(-c3ccc(O)c(O)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSRXVPREIBEAO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJFCBVYWJHZIA-UHFFFAOYSA-N", "SMILES:Oc1ccc2oc(-c3ccc(O)c(O)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQCWDQMMOSFFX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2oc(-c3ccc(O)c(O)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTKSCQOTEGOTRO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2oc(-c3ccc(O)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHTZZLZILHYRJL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2oc(-c3cccc(O)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWWYYGFYVWRIO-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2c(Cl)cccc2Cl)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXXMGRASOYMKFM-UHFFFAOYSA-N", "SMILES:Oc1nnc(Cc2ccccc2Cl)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUPQULMXUXUNRR-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccccc2[N+](=O)[O-])c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJBBZWKKSCFNFZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQVZANAZNYFNM-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Cc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPOQEKKLANXSEV-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2c(Cl)ccc(Cl)c2Cl)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRSZOZNBMLFPT-UHFFFAOYSA-N", "SMILES:CCCCCc1cc2c(CCCCCN)cccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDSKFWHQCNBICO-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZROLNDKSXMSBY-UHFFFAOYSA-N", "SMILES:CC(O)(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZROLNDKSXMSBY-NRFANRHFSA-N", "SMILES:C[C@](O)(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLOKEPIZACOOX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3cccc(CCc4ccncc4)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHJHTONDUEZOT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2cc(S(=O)(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUMCTBMIGMUWDS-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(Cn4ccnc4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQOWGBCWWJUEY-UXBLZVDNSA-N", "SMILES:COc1ccc(-c2ccc(/C=C3/NC(=S)NC3=O)s2)cn1"]}
{"name": "Acid-sensing ion channel 5", "synonym": ["Bile acid-sensitive ion channel"], "xref": ["CHEMBL.TARGET:CHEMBL3621030"], "id": "UniProtKB:Q9R0W5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSAIHVVLGCXQM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(S(F)(F)(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUYABNKRZIFBU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2cccc(S(F)(F)(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZKHEAQINDUAJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2ccc(S(F)(F)(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUMCDOPLRDLUMP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1ccc(S(F)(F)(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXSMXFYKBDUAL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnn2C)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLGPSMUKGKILR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)n[nH]c2C)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTFPNQZFSVSZGW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVCXALYNQLGUTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMDFGZGLUXGJD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(N)nc2C)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYFFMHNFSBBBR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(N)[n+]([O-])c2C)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIADDOYRZLBMNL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnn(C)n2)cc1S(=O)(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCUBASFBDUFYGI-QESORBRVSA-N", "SMILES:CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCc5cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@@H]76)nn5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C"]}
{"name": "Peroxisomal multifunctional enzyme type 2", "xref": ["CHEMBL.TARGET:CHEMBL3621031"], "id": "UniProtKB:P51660", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHODHQTQXMPOA-TVDRVVCSSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCc5cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@@H]76)nn5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "Extended synaptotagmin-1", "xref": ["CHEMBL.TARGET:CHEMBL3621032"], "id": "UniProtKB:Q3U7R1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Peroxisomal multifunctional enzyme type 2", "xref": ["CHEMBL.TARGET:CHEMBL5814"], "id": "UniProtKB:P51659", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Extended synaptotagmin-1", "xref": ["CHEMBL.TARGET:CHEMBL3621033"], "id": "UniProtKB:Q9BSJ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNOUTCCGFORPID-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccco3)=NN2c2ccc(S(=O)(=O)NC(=O)NCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQGZRTYAHDVMW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(N2N=C(c3ccco3)CC2c2ccc(N(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRHZAWSSWUYIF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2CC(c3ccco3)=NN2c2ccc(S(=O)(=O)NC(=O)NCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZQVMQNLVRVKN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(N2N=C(c3cc4ccccc4oc3=O)CC2c2ccc(N(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFFMNCWYMPDDE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cc4ccccc4oc3=O)=NN2c2ccc(S(=O)(=O)NC(=S)NCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJJWUJVRUZQDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cc4ccccc4oc3=O)=NN2c2ccc(S(=O)(=O)NC(=O)Nc3ccccc3C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGCHTGHSNZIMQ-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c2c(c3c4ccccc4c(O)cc31)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMXTOFHRZLJSW-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2c(c3c4ccccc4c(O)cc31)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYHWILULDLQBR-DNTFOILSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"name": "Kallikrein-4", "xref": ["CHEMBL.TARGET:CHEMBL4446"], "id": "UniProtKB:Q9Y5K2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJWRVDWTVAOOQV-JWCAMHMTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXLZUCADFTVDHK-WUNQXOFZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKLZCVGERGWQOF-VFVWLDOCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZRXATFICMEBMV-FLOFSASPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZANVFDVQBHNWPA-MOUREGNFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWNBJAMAQJONM-WUNQXOFZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDUGCIKXDRXJRI-FBTRRTMGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHJPDGJNOTNGC-HWGDRNPJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPEKHCIHYAEYFM-BJYWWMFXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSFXZURSGBREG-MOUREGNFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTPWBPTGGNVKD-SKJWZLJGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMCIVCACYJRAAY-UHFFFAOYSA-N", "SMILES:O=c1c2cccnc2sn1-c1ccc(F)cc1"]}
{"name": "Histone acetyltransferase KAT8", "xref": ["CHEMBL.TARGET:CHEMBL1932912"], "id": "UniProtKB:Q9H7Z6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQVNCGIZTSUQOC-UHFFFAOYSA-N", "SMILES:O=c1c2cccnc2sn1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL318367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOVRHTDKMNEUSB-UHFFFAOYSA-N", "SMILES:O=c1c2cccnc2sn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZYITALJJVTZJX-UHFFFAOYSA-N", "SMILES:O=c1c2cccnc2sn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUUIMQQOCYISH-UHFFFAOYSA-N", "SMILES:CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLPGCAWHLVVATJ-UHFFFAOYSA-N", "SMILES:Brc1ccc(NCCN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGRSTBDABKESY-UCORVYFPSA-N", "SMILES:N[C@H]1C[C@@H](C(=O)O)CC1=C(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232972", "category": ["biolink:ChemicalEntity"], "name": "GABACULINE", "xref": ["InChIKey:ZCGFCFMGAXXBTD-ZCFIWIBFSA-N", "SMILES:N[C@H]1C=C(C(=O)O)CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3628691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLHWIHMBBFYYLS-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254550", "category": ["biolink:ChemicalEntity"], "name": "POLYGODIAL", "xref": ["InChIKey:AZJUJOFIHHNCSV-KCQAQPDRSA-N", "SMILES:CC1(C)CCC[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3629815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJHOKYCBXMGNY-UYCAVVTHSA-N", "SMILES:COC(=O)/C=C/C1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PATVLDHTCBKUPZ-AATRIKPKSA-N", "SMILES:CN1CCN(c2nc(N)nc(/C=C/c3cccc(Cl)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESJWCUTDLCKLL-VOTSOKGWSA-N", "SMILES:Cc1cccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUYIALKACVQRS-HAAWTFQLSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)/C=C/c3cc[n+](Cc4cccc(F)c4)cc3)c2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPOMCEOZAYIXGC-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)n(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACCQXUWQPDUKDF-FCDQGJHFSA-N", "SMILES:NC(=S)N/N=C(\\c1ccccc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQRVFLVSKNGST-LGUFXXKBSA-N", "SMILES:NC(=S)N/N=C(\\c1cc(Br)cc(C(=O)c2ccccc2F)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3627766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXADXPZZEDOCJI-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Cl)cc2sc2c(N3CCC(CCCC4CCNCC4)CC3)nc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3627763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYQGEUMCNKLSR-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Cl)cc2sc2c(N3CCC(O)CC3)nc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3627832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNEFMBLKZVMMCU-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Cl)cc2sc2c(N3CCNCC3)nc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3627830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZRQXXPTMCMVCM-UHFFFAOYSA-N", "SMILES:COc1nc2ccccc2c2c(=O)c3ccc(Cl)cc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFKAVEDKNJUNBD-HSZRJFAPSA-N", "SMILES:CCCCCCCCCCNC(=O)CN1C(=O)[C@@H](CC(C)C)N=C(C)c2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSQNUFEMYXUOO-DHZHZOJOSA-N", "SMILES:O=C1Nc2cccc(Cl)c2/C1=C\\C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULAXMAMZNHGQMV-PKNBQFBNSA-N", "SMILES:COc1ccccc1C(=O)/C=C1/C(=O)Nc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXLUMXHDRQNGJ-FOWTUZBSSA-N", "SMILES:O=C(/C=C1/C(=O)N(c2ccccc2)c2cccc(Cl)c21)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPVXFHPWUBDVMN-XYOKQWHBSA-N", "SMILES:O=C1Nc2ccccc2/C1=C\\C(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL96926", "category": ["biolink:ChemicalEntity"], "name": "THAPSIGARGIN", "xref": ["InChIKey:IXFPJGBNCFXKPI-FSIHEZPISA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O"], "chembl_natural_product": true}
{"name": "Sarcoplasmic/endoplasmic reticulum calcium ATPase 1", "xref": ["CHEMBL.TARGET:CHEMBL4693"], "id": "UniProtKB:P04191", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBCATMYQYDCTIZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"name": "Peroxiredoxin-5, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3627586"], "id": "UniProtKB:P30044", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJXNJVFEFSWHLY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc2ccccc2c1"], "chembl_natural_product": true}
{"name": "Glycogen phosphorylase, muscle form", "xref": ["CHEMBL.TARGET:CHEMBL4696"], "id": "UniProtKB:P00489", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108829", "category": ["biolink:ChemicalEntity"], "name": "2-PHENYLPHENOL", "xref": ["InChIKey:LLEMOWNGBBNAJR-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1ccccc1"], "synonym": ["E231"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL388594", "category": ["biolink:ChemicalEntity"], "name": "2-AMINOPURINE", "xref": ["InChIKey:MWBWWFOAEOYUST-UHFFFAOYSA-N", "SMILES:Nc1nc2ncnc-2c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVXVYAKCVDQRLW-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]ccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL148831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQCPOLNSJCWPGT-UHFFFAOYSA-N", "SMILES:Oc1ccccc1Cc1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL15844", "category": ["biolink:ChemicalEntity"], "name": "INDOLE", "xref": ["InChIKey:SIKJAQJRHWYJAI-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]ccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3629013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMTAOJMPNXLKJI-UHFFFAOYSA-N", "SMILES:N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKZDDUFFSFEDPW-UHFFFAOYSA-N", "SMILES:CCc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(/C(N)=N/O)cc4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUQILRKVRIIJNO-FJOOTJEJSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCO)CCCCCC)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSSSMUKJOLMJV-LBPRGKRZSA-N", "SMILES:Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFOXZXSKHTTLC-NSHDSACASA-N", "SMILES:Nc1nc(N)c2c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)coc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMEHPWHLFJJYTB-ZDUSSCGKSA-N", "SMILES:Nc1nc2[nH]c(CCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCGOYFEYRSGDL-LBPRGKRZSA-N", "SMILES:Nc1nc(N)c2c(CCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)coc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3627987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUWLAPVMXODHTM-UWLXSEQGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJGZVIQMHPUTQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc3c(n2)-c2ccc(OC)cc2SC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVMQSOJRIHKYGP-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPKPDYONWEWGV-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGHARBHXQNXYRK-BWLGBDCWSA-M", "SMILES:COc1ccc2c(c1OC)CO/C(=C\\c1cc[n+](Cc3ccc(F)cc3)cc1)C2=O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL287486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKFCCZUCXYILI-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1569191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYQBPYXMRNEAKZ-UHFFFAOYSA-N", "SMILES:COC(=O)CNS(=O)(=O)c1ccc(C)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1885780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDLIDGRREQSGLX-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3275993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRCVIZBNRUWLY-HNNXBMFYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3627998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTVRPHGRLWXBI-INIZCTEOSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3627999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOUCMRFJGOCFJZ-QFIPXVFZSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMFRDFIOBQOVBQ-FQEVSTJZSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSHRRPUMGAOHIH-LTJQSBOTSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(COC(=O)/C=C/c4ccccc4)=C31)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXWMMXLLUPPRDM-MJEOIREYSA-N", "SMILES:C/C=C(\\C)C(=O)OCC1=C2/C(=C\\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2OC(=O)/C(C)=C/C)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZFWOTIVXVKTGN-JOCZCXJSSA-N", "SMILES:CCCC(CCC)C(=O)OCC1=C2/C(=C\\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJCSBVKICXGVLH-YXSYJHIXSA-N", "SMILES:C[C@@H]1C[C@H](O)C2=C(COC(=O)CCc3ccccc3)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCRQUXCDLRKII-QUNCWPOTSA-N", "SMILES:C[C@@H]1C[C@H](O)C2=C(COC(=O)/C=C/c3ccc(C(F)(F)F)cc3)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBOGJPPHWRRIG-QUNCWPOTSA-N", "SMILES:C[C@@H]1C[C@H](O)C2=C(COC(=O)/C=C/c3ccc(F)cc3)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGAPKYMQPYDYDY-LGMBXOECSA-N", "SMILES:CC(C)=CCCC(C)CC(=O)OCC1=C2/C(=C\\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNBCZDOBDXNJBL-YDDDODMCSA-N", "SMILES:CC(C)=CC(=O)OCC1=C2/C(=C\\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNEGIAHZLMYTNL-GAEBNKLVSA-N", "SMILES:CC(C)=CCC/C(C)=C/C(=O)OCC1=C2/C(=C\\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYPANVKGZBRKDJ-SYMGDWHVSA-N", "SMILES:C[C@@H]1C[C@H](O)C2=C(COC(=O)/C=C/c3ccccc3)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFMCSZAENONTLP-QPCYBBPHSA-N", "SMILES:CCC(C)C(=O)OCC1=C2/C(=C\\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWECTGSMCDXZOY-YDDDODMCSA-N", "SMILES:C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGKQKUIHGHUEP-BFWKSYKFSA-N", "SMILES:C/C=C(\\C)C(=O)OCC1=C2/C(=C\\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3628031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHPDTZMPKQZDGC-KTELBGIKSA-N", "SMILES:C/C(=C\\CO)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3628030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUVRWFJDAPMIA-IIHJLFQTSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3628029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVCSPTBQHQMYOG-UPBXAILNSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3628028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSNXXZXCVFUXKD-LYUOXOCJSA-N", "SMILES:C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVUPZFNJFDVQM-HEQUYQGPSA-N", "SMILES:C[C@@H]1C[C@H](O)C2=C(CO)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGGOIMAXQUUDCN-JHVPGQBHSA-N", "SMILES:CC(=O)OCC1=C2/C(=C\\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBBPLMBWXKCDP-RRPNGBMBSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFWDFNNMSZVOA-JXRWWANWSA-N", "SMILES:C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVCSPTBQHQMYOG-BFWKSYKFSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKIDGUZXBGGNBZ-GUNZAYKBSA-N", "SMILES:C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUVRWFJDAPMIA-BDPKFFACSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2"], "chembl_natural_product": true}
{"name": "Stalled ribosome sensor GCN1", "xref": ["CHEMBL.TARGET:CHEMBL3706558"], "id": "UniProtKB:Q92616", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heat shock protein 105 kDa", "xref": ["CHEMBL.TARGET:CHEMBL3706560"], "id": "UniProtKB:Q92598", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHMWOYOVGULXFN-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cccc(Cn3nnc4c3C(=O)c3ccccc3C4=O)c2)CC1"]}
{"name": "Tryptophan 2,3-dioxygenase", "xref": ["CHEMBL.TARGET:CHEMBL2140"], "id": "UniProtKB:P48775", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMMLEZBXYLEJN-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBFADHMVAAIMA-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANGRDQJZKXBQFY-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)cc(Cl)c1OCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRFWFDZLESDLRE-UHFFFAOYSA-N", "SMILES:COc1cc(CNCC(=O)O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVCHPEHEVVLEHR-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBXVPYTIWTMRY-UHFFFAOYSA-N", "SMILES:COc1cc(CNC#N)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYNOCOAFTUHGS-UHFFFAOYSA-N", "SMILES:COc1cc(NC#N)cc(Cl)c1OCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZPDXUSYTJPCNY-SGEDCAFJSA-N", "SMILES:O=C(O)c1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)/C(=N/c3ccccc3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPZEJMNQMUHQG-MHWRWJLKSA-N", "SMILES:CCOc1cc(/C=C(\\C#N)C(=O)NC2CCCCC2C)ccc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1440754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDYCTEWJYNLYQG-UHFFFAOYSA-N", "SMILES:CC1CCc2c(sc3ncn(Cc4ccc(C(=O)O)cc4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCOLDLYZCSBRBY-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2nn[nH]n2)ccc1OCc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1409620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMNZRHVGRULQD-UHFFFAOYSA-N", "SMILES:Brc1cc2c(cc1COc1ccc(-c3nn[nH]n3)cc1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1506875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDXCKUNLXKUBME-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1c(C)c2ccc(OCc3nn[nH]n3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANYOPDCUJYIGF-DARPEHSRSA-N", "SMILES:C=CCN1C(=O)C(CC(=O)Nc2ccc(C(=O)O)cc2)S/C1=N/c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQGQQYZJXRDYBQ-QPEQYQDCSA-N", "SMILES:CC(C)COC(=O)CN1C(=O)S/C(=C\\c2ccc(C(=O)O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWLDFHLGQRPSC-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(c1C1(C)NC3=C(C(=O)CC(c4ccccc4)C3)C1=O)C(=O)CC(c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUCUIUNKNVIKF-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(S(=O)(=O)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYWLJDMMFVHSV-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCCCc2ccc(S(=O)(=O)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMYFSLMYAONKN-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1617293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCUREXCXPTEBS-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCOc2ccccc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTRXNSHXJVZTC-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1c1cccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHMKYWUENKQRV-VXJKQVLXSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]43C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3634635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMNRYLXTXERPB-QZIIJZFNSA-N", "SMILES:C=C(C)[C@@H](O)C/C=C(\\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1669123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYXFVCFISTUSOO-VUFVRDRTSA-N", "SMILES:CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1939358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFYPUURNFDINN-ACLGHVBBSA-N", "SMILES:C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL255683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHCBCKBYTHZQGZ-CJPZEJHVSA-N", "SMILES:CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3634637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHCBCKBYTHZQGZ-DLHMIPLTSA-N", "SMILES:CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3634638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGSRVGAMRCRDT-QWPWDPHFSA-N", "SMILES:CC(C)=CC/C=C(\\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3634639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLXREOMFNVWOH-DNQFHFKUSA-N", "SMILES:CC(C)=CC/C=C(\\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL466844", "category": ["biolink:ChemicalEntity"], "name": "GINSENOSIDE RH1", "xref": ["InChIKey:RAQNTCRNSXYLAH-RFCGZQMISA-N", "SMILES:CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL251235", "category": ["biolink:ChemicalEntity"], "name": "GISENOSIDE RK1", "xref": ["InChIKey:KWDWBAISZWOAHD-MHOSXIPRSA-N", "SMILES:C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3634918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXIWSABSXHQPA-APIUDFROSA-N", "SMILES:CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMRBPMJEBCLQL-GOJVXQPUSA-N", "SMILES:C=CCN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVCQIQNFCFSBW-KWBGLVKESA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC2CC2)CC(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQTUTNLNLCGEN-AFTYMDKPSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCCc2ccccc2)CC(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGGMCDLCFXOSB-YZDZIJTDSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)CC(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPCXBKMCSQEOHX-MMEIRKFDSA-N", "SMILES:CC1NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXQAKKNVBFUJK-QLDMJHMESA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)CC(=O)NCCCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXQAKKNVBFUJK-PGANAHDCSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)CC(=O)NCCCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSIQJUNYMMCTB-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNHMWFOTGZHOR-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN(c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKWHBQTUWVMODN-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2[nH]1)c1ccc2c(C(=O)O)ccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRLXYVKWKDSKSA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(F)ccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATYDNFWBAVIBC-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHIUJOLGVWYPDY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncnc(Nc3ccc(C(=N)N)cc3)c2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSZYULNFXHRMG-UHFFFAOYSA-N", "SMILES:C=C(C(=O)c1ccc2c(c1OC)C=CC(C)(C)O2)c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLOHELTEWYQDS-GDCHPBNBSA-N", "SMILES:C=C(C(=O)c1ccc2c(c1OC)C=CC(C)(C)O2)c1ccc(OC/C=C/CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIAMDXBTZWMIAM-DJLDLDEBSA-N", "SMILES:OCCNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3633737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNYUNQUMBHDYBO-DITALETJSA-N", "SMILES:CCCCCCCCOC(C)(C)[C@@H](O)COc1ccc(C(CC)(CC)c2ccc(OC[C@@H](O)CO)c(C)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTWFYALHGJFPSY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(C(=O)Nc1ccccc1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNRFVVHTPYZICF-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)C2Cc3cc(OC)c(OC)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJFKKRIOUFCJL-UHFFFAOYSA-N", "SMILES:CNC(=O)COCC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASSJTMUEFHUKMJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARTVDMKLQDTMGX-RHKYAHEOSA-N", "SMILES:C/C1=C\\CC[C@@]2(C)O[C@@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1"], "chembl_natural_product": true}
{"name": "X-box-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3632453"], "id": "UniProtKB:Q9R1S4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWUKIAFAAFHKRT-NCSOOZNJSA-N", "SMILES:CC(C)[C@@]12CC[C@@](C)(O1)[C@@H]1CC[C@@](C)(O1)[C@@H](O)C[C@@H]1O[C@@]1(C)[C@H](O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3634659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDIJQJOQYXYQB-ITZFYXQLSA-N", "SMILES:C/C1=C\\[C@@H](O)C[C@@]2(C)O[C@@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3634663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSHEXYMLFPCLF-HPNWIXDZSA-N", "SMILES:C/C1=C\\CC[C@]2(C)O[C@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3634664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZGXABGCGIHCY-RWKKOLHOSA-N", "SMILES:C/C1=C\\C[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H]2CC[C@@](C)(O2)[C@@H](O)CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3634266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBDZAUOXRXNMMO-WQLSENKSSA-N", "SMILES:O=C1/C(=C\\c2ccc(O)cc2O)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOMQCAGVJQMEO-GHXNOFRVSA-N", "SMILES:O=C1/C(=C\\c2ccc(O)c(O)c2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCWAKPSWGNDTC-UHFFFAOYSA-N", "SMILES:O=C(C1=Cc2cc(Br)ccc2S1(=O)=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZBIMEFVVHASFW-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CSc1sccc1C2n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL354050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDJMXTBYBAZXKV-UHFFFAOYSA-N", "SMILES:NC(CO)(CO)CCCCCCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZASIIBZXWGVMI-UHFFFAOYSA-N", "SMILES:NC(CO)(CO)CCCCCCCCCCc1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMMXOOHWHYRBOS-UHFFFAOYSA-N", "SMILES:NC(CO)(CO)CCCCCCCCCCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSWQZNMBTYNMX-UHFFFAOYSA-N", "SMILES:NC(CO)(CO)CCCCCCCCCCc1cccc(S(F)(F)(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQUEABUCOXLPT-UHFFFAOYSA-N", "SMILES:NC(CO)(CO)CCCCCCCCCCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOWUWKXGCOTND-UHFFFAOYSA-N", "SMILES:NC(CO)(CO)CCCCCCCCCCc1ccc(S(F)(F)(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLIXFYOPCXFZOE-UHFFFAOYSA-N", "SMILES:NC(CO)(CO)CCCCCCCCCCCCCCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDVCHRYCKXEBY-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1"]}
{"name": "Probable G-protein coupled receptor 139", "xref": ["CHEMBL.TARGET:CHEMBL3632455"], "id": "UniProtKB:Q6DWJ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHHRNGCAWAPZKG-GNWVCWHNSA-N", "SMILES:CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3633593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAKKXZNYERXAIY-HTYOSDJUSA-N", "SMILES:CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)C[C@H](O)[C@H](O)CC1=C(O)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL113650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQOAQMIKPYNCMV-FMQUCBEESA-N", "SMILES:CC/C(=C(/CC)c1ccc(OC)cc1)c1ccc(OC)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3632924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJYWQMRLMGNIU-QURGRASLSA-N", "SMILES:CC/C(=C(/CC)c1ccc(OCCO)cc1)c1ccc(OCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYRUIXHKXQSKH-WCWDXBQESA-N", "SMILES:CC/C(=C(/CC)c1ccc(OCCCO)cc1)c1ccc(OCCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTBQRJLXLZPFK-OCEACIFDSA-N", "SMILES:CC/C(=C(/CC)c1ccc(OCCCCO)cc1)c1ccc(OCCCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOLYJUCLDCQKS-OCEACIFDSA-N", "SMILES:CC/C(=C(/CC)c1ccc(OCCOC(C)=O)cc1)c1ccc(OCCOC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYVUYVBOWBEJT-BYYHNAKLSA-N", "SMILES:CC/C(=C(/CC)c1ccc(OCCCOC(C)=O)cc1)c1ccc(OCCCOC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVFNBLJYFYUHFJ-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc2c1C(=O)c1c(OCCCC)cc(CO)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIAUXBRSJIRFMX-NGYBGAFCSA-N", "SMILES:NC(=S)N/N=C/c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTXPISEYKNHPX-PIGZYNQJSA-N", "SMILES:COc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)NO)N(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSMJBRDXKNNSIK-NOZJJQNGSA-N", "SMILES:O=C(N[C@@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIGAWQAOMBSMTI-HTAPYJJXSA-N", "SMILES:O=C(NO)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSYHJSDOGMSLDH-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBZZBQUCHBLKN-UHFFFAOYSA-N", "SMILES:CCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"name": "Relaxin receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3831321"], "id": "UniProtKB:I2CTQ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9544"]}
{"name": "Uncharacterized protein", "synonym": ["Relaxin receptor 1"], "xref": ["CHEMBL.TARGET:CHEMBL3831322"], "id": "UniProtKB:F1RW91", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1206440", "category": ["biolink:ChemicalEntity"], "name": "CYCLAMIC ACID", "xref": ["InChIKey:HCAJEUSONLESMK-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)NC1CCCCC1"], "synonym": ["Cyclamic acid", "Cyclamate", "E-952(I)", "INS NO.952(I)", "INS-952(I)", "NSC-220327", "Hexamic acid", "Cyclamic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL253582", "category": ["biolink:ChemicalEntity"], "name": "SUCROSE", "xref": ["InChIKey:CZMRCDWAGMRECN-UGDNZRGBSA-N", "SMILES:OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O"], "synonym": ["Sucrose", "Sucrose", "Sucrose", "Sucrose", "Sucrose", "GNE-410", "NSC-406942", "S-67F", "Sucrose"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3715108", "category": ["biolink:ChemicalEntity"], "name": "LACTISOLE SODIUM", "xref": ["InChIKey:SKORRGYRKQDXRS-UHFFFAOYSA-M", "SMILES:COc1ccc(OC(C)C(=O)[O-])cc1.[Na+]"], "synonym": ["Lactisole sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZSWMOMOIYTHI-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3cnccc3c2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"name": "Inositol-trisphosphate 3-kinase B", "xref": ["CHEMBL.TARGET:CHEMBL5165"], "id": "UniProtKB:P27987", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUVAZUFHYHKTM-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C#N)c(=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXEYYJLVQJDFRM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(N2CCN(Cc3c[nH]nc3-c3cccs3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKIDRFVHIHASDW-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2nc3ccccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISVITPIGSGQNNZ-CYBMUJFWSA-N", "SMILES:Cc1cnc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVHLRUZGQGUNFR-GFCCVEGCSA-N", "SMILES:Cc1nc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)[nH]c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEIFSFLOFZBLAZ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2nc3c([nH]2)CCCC3)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQZKNNJMMIGWHV-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2nc3cc(F)ccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLGNRZTXKHCIL-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2nc3cc(C#N)ccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYGTUQHSWPCQM-INIZCTEOSA-N", "SMILES:N#Cc1c[nH]c(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C(F)(F)F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZXRLTOGSRHHAM-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C(=O)Nc2nc[nH]c2C#N)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWLJZCQKYXTNFY-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C(=O)Nc2cc(-c3ccco3)n[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUVHVYXSNDBYAJ-QGZVFWFLSA-N", "SMILES:Cc1cc(NC(=O)c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)n(CCN(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVCVPJRTLJIMRT-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C(=O)Nc2n[nH]cc2C#N)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPQXBPMNSJJOP-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C(=O)N2CC(O)C2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMNSYCRIVZUDEL-JBZHPUCOSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C(=O)N2CCC(O)C2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFGASJFSHODATP-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C(=O)N2CCC(O)CC2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSOSNROILWVRA-CYBMUJFWSA-N", "SMILES:COC(=O)c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJPYUFOKCCDKZ-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C(=O)O)o2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFICZHVRKPUPRJ-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C(N)=O)o2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJDQBNXPAKWUAM-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2ccnc3[nH]ccc23)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPPHWEXEFZKXIU-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(=O)N(C)C)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNMDJUQTZTHLZ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(=O)NCCO)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVIGHDGYSRUST-GICMACPYSA-N", "SMILES:CC(O)CNC(=O)c1c[nH]c(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJWMKXOXIHULX-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2c[nH]c3ncccc23)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQCGCNLGYJZQJ-LSDHHAIUSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(=O)N[C@@H](C)CO)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTDGEEYJVXSNTH-HJCFUPBFSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2/C=C2\\NC(=S)NC2=O)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTPUBSGHRKTLGJ-OAHLLOKOSA-N", "SMILES:CC(=O)N1CC=C(c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHBVBRRFHKYQQ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C2CCNCC2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFRUQOUTOFWRA-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C2CCN(C=O)CC2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXYHLMXQMUTBQ-HJCFUPBFSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2/C=C2\\NC(=N)NC2=O)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEMQWHCIWQWWTG-HNNXBMFYSA-N", "SMILES:NC(=O)c1c[nH]c(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C(F)(F)F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZULTCNPPAYSN-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(=O)O)co2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICAZEYNLLYXCTF-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(N)=O)co2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRPMJSBNLHOPG-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C2=CCN(C(=O)CCO)CC2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZUJCKRSNPTKV-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2cc3ccccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPNPJJLRTVLQQY-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C2=CCNCC2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNRYRPIPKHSFE-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C2=CCN(C=O)CC2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDDJJQYLALTMRN-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C(F)(F)F)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWVFOCCZZEGGO-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C(=N)N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNJVQKDFYRZQGP-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C#N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWJODWZOFNAWSU-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C(N)=O)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAPUTYKOPSGIF-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2nc(-c3ccccc3)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOZJRMZKUNDAD-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2nc3cnccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWXNTHLONJVQDA-HJCFUPBFSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2/C=C2\\NC(=O)NC2=O)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOWMVTUVPUJGV-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2C(=O)Nc2ccncc2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKDBCYTELZQQJ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2n[nH]nc2-c2ccc(C#N)cc2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKUGWWWZKKPJB-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C#N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXRJXALRGFYVGN-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(N)=O)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDSXMZXWLPHBK-CYBMUJFWSA-N", "SMILES:CNC(=O)c1c[nH]c(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVVCHVYHORORNF-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C#N)[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFZXBIDIMTPEA-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C(N)=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUMXHSDIUUWLE-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2c[nH]c(C#N)c2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNNXECRAAFWONK-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(Cc2c[nH]nc2-c2c[nH]c(C(N)=O)c2)CCN1c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMFWCWAOQYNELV-LUAWRHEFSA-N", "SMILES:O=C(/N=C1\\SSC2=NCCN21)c1cccs1"]}
{"name": "G-protein coupled receptor 6", "xref": ["CHEMBL.TARGET:CHEMBL3714130"], "id": "UniProtKB:P46095", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDBVCZSXWMPDH-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NCCCO)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXXQRHAPSCJRKM-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPGLKUSOHYEFPE-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NC(CO)CO)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKHUMNABQMLNNR-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NC3CCOCC3)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNSCPEGYQUQKHN-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMYXTUJAKCICFP-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NCC(C)O)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJXGUOJMXCLTA-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NCCN3CCOCC3)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCMDRXYZHIUDI-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NC(C)CO)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYANMLULRYHPEE-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NCCN(C)C)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNCOUFSLSFVNSC-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NCCN3CCCCC3)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLSSCUJJAVUSNC-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NCCO)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXIANIRODQVBY-UHFFFAOYSA-N", "SMILES:C#Cc1cc(OC)c(C(C)C)c(Oc2cnc(N)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKZWDZFMHVAQEU-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOVKTIMGUYONP-UHFFFAOYSA-N", "SMILES:COc1cc(I)cc(Oc2cnc(N)nc2N)c1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTHMMBLTQWCIK-UHFFFAOYSA-N", "SMILES:C#Cc1cc(OC)c(I)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKGCYBJIGAMMCY-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(I)c(Oc2cnc(N)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBUTDLXIHJTTE-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(C#C)c(Oc2cnc(N)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCSAHGLWGNQLEO-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2N)c(C#C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZZUXAHWSCMBG-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2N)c(CC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJPOBWYXVLHHR-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Cc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVEWHGMJDIGQCO-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVICPMQMTYDTD-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(C(C)C)c(Oc2cnc(N)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFUBQIKUARDHW-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGDNKFSYKOQUIP-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#C[Si](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPKRAQAUDSWDV-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMRNGMETLCYPW-UHFFFAOYSA-N", "SMILES:CNCC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKQJMODABOUSCZ-UHFFFAOYSA-N", "SMILES:CC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGJBOPJCGBLRH-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#CCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXOXWOWHOGEOHW-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1cncn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKKPFZLPKBJKJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAAQODXOMDVQIN-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDXOARGODOQPGT-UHFFFAOYSA-N", "SMILES:CCCC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDDXJIQCGPOHR-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#CCCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEILJYAMAMSKMQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBDILVUYIQYENE-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWUYABGGUMDVGT-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLMDGOYDDLWLNN-UHFFFAOYSA-N", "SMILES:COCC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRVLHLDQYZRBOT-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLPMUAYETFSITJ-UHFFFAOYSA-N", "SMILES:CC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAXXKTHCZHHZKM-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIEFFPUQDBQGEW-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFOBPWEAYLILW-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCC(C(C)=O)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILSTCHEDOIRRA-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCN(CCCO)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHAHXWUEXYTLB-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNCC(C)C)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHNRQRGWNGECD-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNC3CCN(C)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCYKOMITYHECLO-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNC3CCC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJMRGJRJDJTFH-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCN(CCO)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHOGPERFCSIIGP-UHFFFAOYSA-N", "SMILES:CCCNCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPALMJUTIVAABD-UHFFFAOYSA-N", "SMILES:CCN(CCCCO)CC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBMKXSMGNTTLX-UHFFFAOYSA-N", "SMILES:CCC(CC)NCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQITVDMALFMDQL-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNC3CCC(C)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROTZZYQXKQYKEN-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNC3CCCCC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHFAQDQJRZUCAO-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN(C)C3CCCCC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKBMRXRYMJUYEY-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNC(C)(C)C)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPLUYKSOFPQZMK-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNCC3CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PROWDJZBCOKMHQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCCC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXMUXQVDPOTHAR-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCOCC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTXPPVYPDMZOZ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCCCC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSIWXBGJUEGKD-UHFFFAOYSA-N", "SMILES:COCCNCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFVIDYAMXPSUBB-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCC(N)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXIGEUFPRPYSX-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCNCC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FESUBWOUMRDQKW-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN(C)C)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFAJTGCAWQIQGT-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCN(C)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGSPRCDUVGHAC-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NC(=O)CN3CCN(C)CC3)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPIXGVUCXQGLR-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNC3CCCC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRZBQWPNAOKBA-UHFFFAOYSA-N", "SMILES:CCCN(CCC)CC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFGZTQOSIHJKN-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CC(C)OC(C)C3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZUMNWQLCTNDE-UHFFFAOYSA-N", "SMILES:CC(C)c1cc2ncccc2cc1Oc1cnc(NC(CO)CO)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKZTZUTBLMHQI-UHFFFAOYSA-N", "SMILES:Cc1nccc2cc(Oc3cnc(N)nc3N)c(C(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXWZHBTYGHXDX-UHFFFAOYSA-N", "SMILES:CC(C)c1cc2cccnc2cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULGIZGVPIWJTF-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2ccccc2cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSHQGOYVFOYVOZ-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMAJUVONDKJBU-UHFFFAOYSA-N", "SMILES:Nc1ncc(Oc2cc3ccccc3cc2I)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTDYIHNKQMTCNI-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C(C)C)c(Oc3cnc(N)nc3N)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZVMRRXYHMFOMU-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(Oc3cnc(N)nc3N)c(C(C)C)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNGMPTCBQOMOHL-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFFJQSULXFOAH-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc(C(C)C)c(Oc3cnc(N)nc3N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DATUCVPYWMDTBC-GOSISDBHSA-N", "SMILES:CC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc(-c3nccs3)cc(-c3ccc(C)cc3F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVYICZLILVSAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(-c3nccs3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTGAPWJHCMEHB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(-c3nccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHWWXAOANGKFD-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNDZBJHBVIOWOE-OAHLLOKOSA-N", "SMILES:C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2nccs2)cc(-c2ccc(F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHJWTUIRIBNNME-MRXNPFEDSA-N", "SMILES:C[C@H](CN1CCN(S(C)(=O)=O)CC1)NC(=O)c1cc(-c2nccs2)cc(-c2ccc(F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYNDULTVZLNCX-MRXNPFEDSA-N", "SMILES:C[C@H](CN1CCN(S(C)(=O)=O)CC1)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTGXANOPXDBND-OAHLLOKOSA-N", "SMILES:C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRRVRSVYJPIFT-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3nccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGADFGZCGUEUNV-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3cncs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLPDYIGWHLKGK-QGZVFWFLSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3nccs3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZRODQRFQKSNDQ-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3nccs3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZWHMAPLOLSQE-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccns2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQHYNFNDADSOGY-LJQANCHMSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3nccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSIEELLFUMOEC-LJQANCHMSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3cncs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOPXZCDCQBYWAM-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cscn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMVFELJPYWEDW-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cncs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKSKJMPTCDAQJB-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ncco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJSNPJUURMHPEI-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cnco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVXTALUQDHYGP-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYMKCAHMCELQD-LJQANCHMSA-N", "SMILES:CC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3cncs3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVNZQWHMFXIETA-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3cncs3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWEBNCIPHVEZMA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nn3)cc(-c3ncsc3C(C)C)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRJDXNYWUIAMT-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cocn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFVOLERZFSSMML-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VISIRZUUPBTLFX-HNNXBMFYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3scnc3C(C)C)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZSIIRIPJBIIS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nn3)cc(-c3scnc3C(C)C)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZAZCTCPQFQENG-UHFFFAOYSA-N", "SMILES:CCc1ncsc1-c1cc(C(=O)NCc2cnc(C)cn2)cc(-c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXAXUQNVTYCPP-UHFFFAOYSA-N", "SMILES:CCCc1ncoc1-c1cc(C(=O)NCc2cnc(C)cn2)cc(-c2ccc(C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXSFFFGVVSRGE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NC(C)c3ccco3)cc(-c3nccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCOZPYQCVWGDMU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCCOCCO)cc(-c3nccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPTFSGHAQSLKSX-CQSZACIVSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCMLNYJGNZEOI-LJQANCHMSA-N", "SMILES:CC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3nccs3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWCOHRWAVNZJSZ-OAHLLOKOSA-N", "SMILES:COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2scnc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWCOHRWAVNZJSZ-HNNXBMFYSA-N", "SMILES:COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2scnc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONBYIKECLGYMW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NC(C)CO)cc(-c3scnc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTCHSPXGWDSEJP-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCS(=O)(=O)CC3)cc(-c3scnc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUFCUTXKTVEAKW-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3scnc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZADMDEZTLWZDIT-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2oncc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBDURVWEFYGQPG-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccno2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKVXJJWCNMWFGF-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRQAXANIBUPCQS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(-c3cncs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFQPPIWNKUHDI-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ncc(C(=O)NC(C)C)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIAQWKMYSOVFCE-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ncc(C(=O)N(C)C)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOXMZKMTZPLML-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc(-c2cc(C(=O)NC(C)COC)cc(-c3ccc(C)cc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWBNUONPNPEGSU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(-c2cc(C(=O)NC(C)COC)cc(-c3ccc(C)cc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYUEVCFRJHWRM-LJQANCHMSA-N", "SMILES:CC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3scnc3C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMMYKGQHFCLMCG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(-c3scnc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSRMOKDLSFADM-CYBMUJFWSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nccs3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFXKWMKMHAESDX-UHFFFAOYSA-N", "SMILES:CCC(C)(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOOLZQQHHZGQS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NC(C)(C)c3ccccc3)cc(-c3nccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDXOBXRQCZPYGI-GOSISDBHSA-N", "SMILES:COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3nccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVARKUGUAIURB-UHFFFAOYSA-N", "SMILES:CCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVOYIJXBUCRQV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NC(C)CN(C)C)cc(-c3nccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWCOHRWAVNZJSZ-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2scnc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHDKFNOLUHFDA-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCC(N(C)C)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSIOXAQAITZMKO-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCC(O)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJHQAQBWXQVGFR-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCN(C)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPXQBVSVNCMGN-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCC(C)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRBJWRYTKEUEN-KZULUSFZSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)[C@H](N)[C@H](C)C(C)C)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTDPISOAJSCKK-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)C2CCN(C(C)=O)CC2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLXPMWOWNOGJZ-PIGZYNQJSA-N", "SMILES:CC[C@@H](C)[C@@H](N)C(=O)Nc1nc(N)ncc1Oc1cc(I)c(OC)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTDIVLPKHBTQJ-PIGZYNQJSA-N", "SMILES:CC[C@@H](C)[C@@H](N)C(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBHZMOAAUZRAX-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)C3CCN(C(C)=O)CC3)nc2NC(=O)C2CCN(C(C)=O)CC2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGWPQCXDIVSDW-ZDUSSCGKSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)[C@@H]3CCCO3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJVJHHCHGHPZCM-ZDUSSCGKSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)[C@@H]2CCCO2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVGIZDAFZOQJAR-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)C3CCCN3C(C)=O)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOXWYOWWZPYPG-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CO)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCUOMGMPGNDSOM-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)C(C)(C)O)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWNJLRESPUNEY-UHFFFAOYSA-N", "SMILES:CCC(C)(C)C(=O)Nc1nc(N)ncc1Oc1cc(I)c(OC)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZZUIHFZIOFHI-UHFFFAOYSA-N", "SMILES:CCC(C)(C)C(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCIGHPZNGZLFHX-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCCCC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WILGFLSDEXCQCH-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)C(C)(C)OC(C)=O)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDANTAIMZPGLX-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)COC(C)=O)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSPHKGSMPGVNRN-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)C(C)(C)C)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGGGQQXFXHJEJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3ccco3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIKUMMWCPVXVON-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2ccco2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTGVQVCJCVFOJ-UHFFFAOYSA-N", "SMILES:CCC(C)C(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBSZVKDEPJJLQW-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)COC(C)=O)nc2NC(=O)COC(C)=O)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEOJWIZGYIVEBL-UHFFFAOYSA-N", "SMILES:COCCOCC(=O)Nc1nc(N)ncc1Oc1cc(I)c(OC)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJUOJGLLIITJBP-UHFFFAOYSA-N", "SMILES:COCCOCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIIUGAOAMPQUNA-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2NC(=O)c2cccn2C)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAGQXLJTXAEFE-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NC(=O)c3ccccc3)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRKFOMXHRNHENT-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2NC(=O)c2ccccc2)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNHFLUOVJDHLLU-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NC(=O)C(C)(C)C)nc2NC(=O)C(C)(C)C)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKORGCONUKJFDA-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NC(=O)CC(C)(C)C)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHBSKYHBWIIAAD-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2NC(=O)CC(C)(C)C)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKCGDGAFVBEIO-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NC(=O)CCC)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNWRHDMWSTQFZ-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(N)nc2NC(=O)CCC)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQEPUQDLFXMACY-UHFFFAOYSA-N", "SMILES:COCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGGSHPSNHIODDT-ZDUSSCGKSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)[C@@H]3CCCN3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUJJVDSQLFVTHD-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCOCC3)nc2NC(=O)N2CCOCC2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLIAPFLGMLBHT-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCOCC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBVCBBWNLSKLT-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)C3CCN(C)CC3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABYRJNCFJLEPJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)C2CCN(C)CC2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFVKSOIUDHPPW-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3cnc[nH]3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVBXPBQTGPJSOL-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2cnc[nH]2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRZSJMNHZPONB-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2cccn2C)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYVCPHYQOWHQD-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3ccnnc3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBRJPHJJFZALHG-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)Cc3cccnc3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKQWKFUEUINAOV-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)OCC(C)C)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAYKBKXUEBQWIB-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)C2CCOCC2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXSVSQXVENFWAS-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3ccncc3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDVGDKICJFMVCY-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2ccccn2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQRULIDSUOGIX-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3ccccn3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBUNXXDZYALAMX-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2cnc(C)cn2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBRBJWSEIXJRBC-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3cnc(C)cn3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVEDTEIKLLBSPN-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2cnccn2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDQZCFLXADCYIO-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3cnccn3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYJCMBDTMWNOFU-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3ccccc3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHRYEGMAEGODQX-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)C(C)(C)C)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPHIRNYBAINNN-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2ccccc2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNHMMFNGTVVAB-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3cccnc3)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISCAWLLMBDWSCR-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cnc(NC(C)=O)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLCVTWRBGAUCPP-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(C)=O)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAIOZEYAGLBQBH-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(C)=O)nc2NC(C)=O)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDDJXPNJXDYRM-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTOIRXGKAEWAL-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(NC(=O)OCC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOFLIOPISLMVFO-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(NC(=O)CCC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTBTUXKCXCGILO-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLHRUWYPGVQSDP-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)C(C)C)nc2NC(=O)C(C)C)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZINOSXFMYKTP-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CC(C)C)nc2NC(=O)CC(C)C)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCGZQINRUVTBQK-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(NC(=O)CCCC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHJKSTNABLFRCL-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWQEENMLLCDOS-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CC(C)C)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVEIUYRWFBGWRA-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)CCC(=O)O)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKPFARKQSHTOR-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(=O)C(N)C(C)C)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJDXGILNNBHQDK-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccc(C#N)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQGOFAJVNDKEZ-CNXFAXGCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJOHWMGBARELU-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYCBTLQFMHCJD-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPNUNGBABGIRX-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(O)c(I)cc1Cc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWOXEFDCDKPLIL-UHFFFAOYSA-N", "SMILES:C=Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATPYXMXFBBKFO-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXCCGGMWXAAQM-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQUOVKPHMOXRY-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POSMYBDNNRVPDA-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPGYSFGCUXAEG-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVQKVNHHHKBSP-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(OC(F)F)c(Cl)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJYCADRXKLNFL-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1NC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZTGXCZSRLRAEO-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZMQINYOLOMAX-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRFLXLOCJNJKEJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPKZHMIHXRIOT-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCZHROKDLOJJF-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGARQXXUVFFGNI-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXDKERQVHSVAEI-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZLKMLKJOKUHQ-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUEODSQEJGVBBZ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPBGGTLGTLDIFQ-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)c1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJFBWTXZLXBHA-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOSYPTXKTNWRPD-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIQGXHBXBQGAQT-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSXZPBZBKFWIV-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(OCC(F)(F)F)c(I)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWUNICOSKAFDRD-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKYPXQCVZVCRCL-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWIATTRZEXMRJP-UHFFFAOYSA-N", "SMILES:C#CCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMGEZRXBPHRRH-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDGQNVJYJDNOU-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHXYLIUHLBLYIQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1NC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUXAHQPQCTTRU-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(C)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAAXDVCLIWUTC-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZODADHVCMQGRL-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYJJKVHKWJBNBN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUMAKBFLRUNJTM-SKROYXCESA-N", "SMILES:CN1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)CC1.Cl.Cl.Cl.Cl"]}
{"name": "Glycogen synthase kinase-3 beta splice variant X1", "synonym": ["Glycogen synthase kinase-3 beta"], "xref": ["CHEMBL.TARGET:CHEMBL3638364"], "id": "UniProtKB:A0A059UE90", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYZPEMFFWATKCS-HCFFZXORSA-N", "SMILES:Cl.Cl.Cl.Cl.Cn1c(N2CCN[C@@H](c3ccc(N4CCC(N5CCCC5)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUVGLYEQRXBJG-VSZUHEEPSA-N", "SMILES:Cl.Cl.Cl.Cl.Cn1c(N2CCN[C@@H](c3ccc(N4CCC(N5CCCCC5)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITZLAYNMKLLPOC-WKQODEDXSA-N", "SMILES:CN(C)C1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)CC1.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUAYTZRUNSNFQ-SDNLDKQXSA-N", "SMILES:Cl.Cl.Cl.Cn1c(N2CCN[C@@H](c3ccc(N4CCC(O)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYPDYYGNNSJOA-JURULQHISA-N", "SMILES:Cl.Cl.Cl.Cn1c(N2CCN[C@@H](c3ccc(N4CC[C@@H](O)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKULBKXKHJHKMR-LMNIDFBRSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCC(O)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKULBKXKHJHKMR-XMSQKQJNSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CC[C@@H](O)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVFIUSMPSJEIM-RUZDIDTESA-N", "SMILES:CN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCKSOJIFAZAKF-RUZDIDTESA-N", "SMILES:CN(C)C1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMMLFRBABNJQOV-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCC(O)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEXLAIZMZWESQE-MUUNZHRXSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCC(N5CCCCC5)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLXOZYHQQOJAD-FDCLWODCSA-N", "SMILES:CN(C)[C@@H]1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)C1.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLXOZYHQQOJAD-LQAUYCGWSA-N", "SMILES:CN(C)[C@H]1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)C1.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXUBJDBWPARAKG-YJZWPAEXSA-N", "SMILES:Cl.Cl.Cl.Cn1c(N2CCN[C@@H](c3ccc(N4CCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWALAMNGOGJFLE-PKLMIRHRSA-N", "SMILES:Cl.Cn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nc(-c2ccncc2F)c(F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNLRUNBRQDITD-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(c3ccc(C4CN(c5nc(-c6ccncc6F)cc(=O)n5C)CCO4)cc3)CC2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJTWMKUFKSLHHN-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCOC(c3ccc(Br)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGHFINJYMDBCG-HYBUGGRVSA-N", "SMILES:CN(C)[C@@H]1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBXTCATHPDTJL-JOCHJYFZSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCOCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMDWBAYKEDZJFI-JOCHJYFZSA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(N4CCOCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KENYZKIKIHQGAI-HXUWFJFHSA-N", "SMILES:COc1ccc(C#N)cc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACZLSWDKQXBIF-LJQANCHMSA-N", "SMILES:COc1cc(Cl)ccc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCOEHDVYXQCHW-GOSISDBHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFGTWYYEJCALW-LJQANCHMSA-N", "SMILES:CSc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNUMTPYOQBXWKA-JOCHJYFZSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCN(CCO)C4=O)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWKJTCQYWUCCMC-JOCHJYFZSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCCCC4=O)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANOHEBWXDBMQL-HXUWFJFHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCNC4=O)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPAABFUWFPVRLW-OAQYLSRUSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCCNC4=O)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIELBXMBMZAFPD-HXUWFJFHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCOC4=O)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJFDWNQAOMNHB-GOSISDBHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N)c(F)c3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPTMWEMATLSYIB-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCOC(c3ccc4c(c3)NC(=O)CO4)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYCFUKIQUGIRG-HXUWFJFHSA-N", "SMILES:COc1ccc(NS(C)(=O)=O)cc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSBLMGHOVBSCD-JOCHJYFZSA-N", "SMILES:COc1ccc(NC(=O)C2CC2)cc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUEXUDMFBGMAGK-OAQYLSRUSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3cccc(NC(=O)C4CC4)c3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPIJHTAJQBEURQ-JOCHJYFZSA-N", "SMILES:COC(C)(C)C(=O)N(C)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKHVLRTAXAKAU-IBGZPJMESA-N", "SMILES:Cn1c(N2CCN[C@H](c3ccc(C#N)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKHVLRTAXAKAU-LJQANCHMSA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(C#N)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLFGVIJKOMEDAJ-HXUWFJFHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)C(C)(C)O)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQMPPJNPMSEBPP-OAQYLSRUSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)C4(C)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTCGQXDIDKZYPT-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)C4CCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXAFCTCYCJJFOM-ATSYATNISA-N", "SMILES:CC1CC1C(=O)Nc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWPIOVIKUBXJN-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(CN4CCOCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGZXBVKEFKTZEW-LJQANCHMSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(CO)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FROUHSGJBGENAR-MQWQBNKOSA-N", "SMILES:CCN(CC)Cc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUAAUVZUYQEBR-LJQANCHMSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(-c4nnco4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZDTSBDHZDPRV-GOSISDBHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDUPYGWUKNTJCL-HXUWFJFHSA-N", "SMILES:Cc1nnc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXVMCNZYGPOKL-HXUWFJFHSA-N", "SMILES:Cc1nc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCMNRDICHTYKNJ-LJQANCHMSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(-c4ncon4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUPYWVQKOGGLE-HXUWFJFHSA-N", "SMILES:CCc1nc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYQXYNGCNHOZLO-HXUWFJFHSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIXDRUJMHFLKZ-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCOC(c3cccc(-c4nccs4)c3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYQULNHRUDPHDU-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCOC(c3cccc(-c4cncnc4)c3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOZEDVQDQSFNQ-LJQANCHMSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3cccc(NS(C)(=O)=O)c3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPADDJGOKKUFKY-GOSISDBHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(F)c(N)c3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJFGFNQFRHPODV-LJQANCHMSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NS(=O)(=O)CCl)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSQZKMEGXONQA-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCOC(c3ccc4c(c3)CC(=O)N4)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFHGBIHXQQWCMD-JOCHJYFZSA-N", "SMILES:CCN(CC)C(=O)Nc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHHQKPHPPVLNOZ-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCOC(c3ccccc3OCCCN)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROWPDGZVABSXBJ-LJQANCHMSA-N", "SMILES:COc1ccc(N)cc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQYCEINEXFXFL-GOSISDBHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3cccc(N)c3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYBOILLFRIXRJP-HXUWFJFHSA-N", "SMILES:CCOC(=O)Nc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXRNNQGKIFWJAV-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCOC(c3ccc4c(c3)C(C)(C)CC(=O)N4)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRDUSKCZHQQBLN-RUZDIDTESA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)OCc4ccccc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITDQQOCYJJQZEW-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=S)Nc4cccnc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTHVDAVBOIXHK-GDLZYMKVSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)Nc3ccc([C@H]4CN(c5nc(-c6ccncc6F)cc(=O)n5C)CCO4)cc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQFJIODAHNJHV-RUZDIDTESA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBLIYJLNFJOGX-XMMPIXPASA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NS(=O)(=O)c4ccccc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCHPYHFFUZOCB-JOCHJYFZSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)N4CCOCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUENTNCHFROTMG-NBGIEHNGSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(OC[C@@H](O)CN4CCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPULTLGPKUNHPY-LJQANCHMSA-N", "SMILES:CNC(=S)Nc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHWGQJFTXORPQ-YBMSBYLISA-N", "SMILES:CC(O)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQPZXKNSZEQKH-HXUWFJFHSA-N", "SMILES:CC(=O)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRYLBCSMLHCIL-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(C(=O)N4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYHRDYSECYFSR-XMMPIXPASA-N", "SMILES:CCN(CC)CCOc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIFSVEWRUMBHAO-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)CN4CCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPHCXTVPGUESI-XMMPIXPASA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)CN4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBYWJKUKHQHQG-LJQANCHMSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NS(C)(=O)=O)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUDLFSUPFFSQU-HXUWFJFHSA-N", "SMILES:CN(C)C(=O)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEBGYIIGSCOST-HXUWFJFHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(C(=O)NCCO)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUMCSZJPNLMNCI-XMMPIXPASA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(C(=O)NC4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVAOOSENREDSG-AREMUKBSSA-N", "SMILES:CN1CCN(CCCOc2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPOIOGZLTSWGTK-AREMUKBSSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(OCCCN4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQTBICOTQZDDCI-RUZDIDTESA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(OCCCN4CCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXMYWTJNQXOBDP-GDLZYMKVSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)CN4CCN(c5ccccc5)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJGLBRDMPBOOSJ-XMMPIXPASA-N", "SMILES:CN1CCN(CC(=O)Nc2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVFPYWRRWJOTL-RUZDIDTESA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(C(=O)NCc4ccccc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHTXVVEFSLRKT-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)CN4CCOCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKAGKTHISRGFTG-PXDATVDWSA-N", "SMILES:CC(=O)N(C)[C@@H]1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBIYHFAEBHFUHQ-GDLZYMKVSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(OC4CCN(C(=O)c5ccccc5)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZAPFBWXRAEZII-XMMPIXPASA-N", "SMILES:CN1CCC(Oc2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJRABJZOXNSOH-ZCJYOONXSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC4CCc5ccccc54)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJSUFQPMKBFRQ-HZKZUFNGSA-N", "SMILES:Cl.Cl.Cl.Cn1c(N2CCO[C@@H](c3ccc(OCCCN4CCOCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNDNSKWNJCABQ-HZKZUFNGSA-N", "SMILES:CCN(CC)CCCOc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBIRMUIJERRUCA-SDNLDKQXSA-N", "SMILES:CN(C)CCCOc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAENQPMFWXOPEV-IAHZSBLGSA-N", "SMILES:Cl.Cl.Cl.Cn1c(N2CCO[C@@H](c3ccc(OCCN4CCN(C(=O)c5ccccc5)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIIYFAJWZTHPQ-VJURXQOVSA-N", "SMILES:CC(=O)N1CCN(CCOc2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)CC1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOAUSYFWGMEKGH-WKQODEDXSA-N", "SMILES:CN1CCN(CCOc2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)CC1.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQKRTNHRWJPRJW-YATFKFJDSA-N", "SMILES:Cl.Cl.Cl.Cl.Cn1c(N2CCO[C@@H](c3ccc(OCCN4CCNCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNHSMUJXKDIXCL-HZKZUFNGSA-N", "SMILES:Cl.Cl.Cl.Cn1c(N2CCO[C@@H](c3ccc(OCCN4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWESGSLZBBMOKA-DYDNMMRMSA-N", "SMILES:CCN(CC)CCOc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGOHXJCHVZRQF-GOSISDBHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(O)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIWHTROWJZPIN-OAQYLSRUSA-N", "SMILES:CC(=O)N(C)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIERWJAYTBCQAP-XMMPIXPASA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(OCCN4CCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSPUGEMSHQYHRM-FADGAERDSA-N", "SMILES:CN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQRZKHXWGHGBX-MLAJYWAYSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC4C5CC6CC(C5)CC4C6)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJMWFRPQQHUHZ-WKDDANMNSA-N", "SMILES:CN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSVLIWMNVRQIU-RDJXBYSUSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC45CC6CC(CC(C6)C4)C5)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLBQBMARNULPG-HSZRJFAPSA-N", "SMILES:CC(=O)N(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSMRNKVZGFMMV-OAQYLSRUSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)C4CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQGGFPJJGUVKX-XMMPIXPASA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC(=O)c4ccccc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPBZPOFUENVKTI-HHHXNRCGSA-N", "SMILES:COCCN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKWHPPUBMBNSS-JAMKYWPSSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCC[C@H]5CCCC[C@@H]54)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASHGIHTURHSTOF-UFTMZEDQSA-N", "SMILES:CS(=O)(=O)O.Cn1c(N2CCO[C@@H](c3ccc(N4CCc5ccccc54)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKMSSGQGTGKHIZ-AREMUKBSSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N(CCO)C4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRQIAXKAXFIBJ-SSEXGKCCSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N(C4CCCCC4)S(=O)(=O)c4ccccc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEIGXGNLCVVSZ-HHHXNRCGSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N(C(=O)C4CC4)C4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBBLYFXDDWPMP-SSEXGKCCSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N(C(=O)c4ccccc4)C4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNOXMIMFRBAFI-RUZDIDTESA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N(C4CCCCC4)S(C)(=O)=O)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDDGHYCAUXWNF-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(Nc4cccnc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQXFFXHENFLTIZ-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(Nc4ccncc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUNWAZPHJATKQC-JOCHJYFZSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(Nc4ccccn4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSGBTSMNRGSCGX-OAQYLSRUSA-N", "SMILES:COc1cc(N(C)C)ccc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZCCPEXAGQMALY-AREMUKBSSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N(c4ccccn4)c4ccccn4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPJYGEMHAMYMKM-JOCHJYFZSA-N", "SMILES:CN(C)CCOc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXKHLLCJMXWQA-AREMUKBSSA-N", "SMILES:CCN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSYDDYLNKHVTJI-AREMUKBSSA-N", "SMILES:CC(=O)N(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXFHOGVQKNJLPC-HSZRJFAPSA-N", "SMILES:CCN(CC)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNKKJOXHVJPVLX-OAQYLSRUSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVVMHUCSOSMAN-XMMPIXPASA-N", "SMILES:CN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPMDBBKMLRPQMP-XMMPIXPASA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(OC4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBULRZIJNSFKZ-GOSISDBHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(OC(F)(F)F)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPZUPBIKZMPHD-JOCHJYFZSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(OCC4CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZEFIMQKYXUMMM-OAQYLSRUSA-N", "SMILES:CC(C)Oc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWXFDYGXCDYCBV-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(OC4CCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOGHBFAYUVDHGC-HXUWFJFHSA-N", "SMILES:CC(=O)Nc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLODWEMFHABDKE-HXUWFJFHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N(CC(F)(F)F)CC(F)(F)F)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTRPEZTNQEEDL-OAQYLSRUSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CC(O)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYAKYAXUVYVVKB-OAQYLSRUSA-N", "SMILES:CC(C)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXGBYZAWOYEUBN-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC4CCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSFVBDJMRYLSHI-XMMPIXPASA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(NC4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIVNOGNCSDKCJN-AREMUKBSSA-N", "SMILES:CN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWDKBCYGRQZCNE-XMMPIXPASA-N", "SMILES:CN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUIBBLXRVUMQEZ-YADARESESA-N", "SMILES:CC(=O)N[C@H]1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYLHTSJMYPZWCD-QGZVFWFLSA-N", "SMILES:COc1ccc([C@H]2CN(c3nc(-c4ccncc4F)c(Br)c(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPUJUFPXSXCJV-LJQANCHMSA-N", "SMILES:COc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIWZHHPSNJXTFJ-HXUWFJFHSA-N", "SMILES:CN(C)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFBBODEMJKCGV-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(C3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PELAJVWPASHRMF-XMMPIXPASA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(-c4ccc(N)cc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJGWDYCOILOJT-LJQANCHMSA-N", "SMILES:CNc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZPYEVDUOAWTPW-GOSISDBHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccccc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFPBWKTHXNVEH-XMMPIXPASA-N", "SMILES:COc1ccc(C2(O)CCN(C)CC2)cc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVVRWKXRTVYRZ-HXUWFJFHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(C(C)(C)O)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUZDIRXOISDDCV-HHHXNRCGSA-N", "SMILES:CC(C)c1ccc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDXEBCYTRELNJ-HHHXNRCGSA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMMCNIYRRBUSNY-RUZDIDTESA-N", "SMILES:Cc1ccc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTJRGHAUJWBGK-JOCHJYFZSA-N", "SMILES:CCN(CC)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSPNNDLSNUQBM-RUZDIDTESA-N", "SMILES:CSc1ccc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMBLEXEYDMCIP-OAQYLSRUSA-N", "SMILES:CC(C)Nc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTGBIXHCNYCOHZ-MUUNZHRXSA-N", "SMILES:CCCCOc1ccc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNMSHNNVOOKED-MUUNZHRXSA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(-c4ccc(OCC5CC5)cc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLDPFBXUAPNNMX-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCNC(c3ccc(-c4ncon4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBOGJQHDDMXGGU-XMMPIXPASA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMWLFNCNVLSXNU-PPLJNSMQSA-N", "SMILES:Cl.Cl.Cn1c(N2CCN[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTMVIAGQHNIHL-XMMPIXPASA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(-c4ccc(Cl)cc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRXSDHNHNAHPA-XMMPIXPASA-N", "SMILES:COc1ccc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFSNFIXYMKIRDC-RUZDIDTESA-N", "SMILES:COc1ccc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTQGAVQIDGXMEP-NXMSCROESA-N", "SMILES:C[C@@H]1CN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHYIINKBDWNRA-BKMJKUGQSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CC[C@H](N5CCCC5)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPMZFNAHJQDBPY-FMYYAHIMSA-N", "SMILES:CN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCN2)cc1)C1CCCCC1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLSOZRKZWXLDGT-ATIYNZHBSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CC[C@@H](N5CCOCC5)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXIVXWYUJCNOA-YIXXDRMTSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CC[C@@H](N5CCCCC5)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGXMSZKVIJRRPC-UZUQRXQVSA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(N4CC[C@H](C#N)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXHVZPJJUAKPK-HTAPYJJXSA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(N4CC[C@H](C(N)=O)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHYIINKBDWNRA-ATIYNZHBSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CC[C@@H](N5CCCC5)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLSOZRKZWXLDGT-BKMJKUGQSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CC[C@H](N5CCOCC5)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJGXBMCNYMLPFA-OAQYLSRUSA-N", "SMILES:COc1ccc(C(C)(C)O)cc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMVCLQQHVVYLK-BKMJKUGQSA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(N4CC[C@H](N5CCCC5)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BITQKGYYPSZVJQ-SSMZTGFVSA-N", "SMILES:CN1CCC2(CCN(c3ccc([C@H]4CN(c5nc(-c6ccncc6F)cc(=O)n5C)CCN4)cc3)CC2)C1.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLJFPAUSRBFEK-AREMUKBSSA-N", "SMILES:CCOc1ccc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHQKSLPVCUKLY-XMMPIXPASA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUZRSFGCMVXGQP-XMMPIXPASA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXIVXWYUJCNOA-WNCULLNHSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CC[C@H](N5CCCCC5)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBAJCMLZVDEINX-RUZDIDTESA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUQQZJNOWLZJZ-RUZDIDTESA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(-c4ccc(S(C)(=O)=O)cc4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVGPMLVRZKGZEO-MUUNZHRXSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCN(c5ccccc5)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JURNBSINQXGTKX-NXMSCROESA-N", "SMILES:C[C@@H]1CN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRZJJCZNJBSSAW-NXMSCROESA-N", "SMILES:C[C@@H]1CN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCXJPMIABXGPE-YLIXVMFWSA-N", "SMILES:Cl.Cl.Cn1c(N2CCN[C@@H](c3ccc(N4CCC(O)C4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXGXXBZGMLZLO-OAHLLOKOSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3c(F)cccc3Cl)C2)nc(-c2ccncc2F)c(F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWWCUCVLIKZOSR-GOSISDBHSA-N", "SMILES:COc1ccc(C#N)cc1[C@H]1CN(c2nc(-c3ccncc3F)c(F)c(=O)n2C)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMUFRCQSAXYSAC-AREMUKBSSA-N", "SMILES:CC(=O)OCCN1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJAHKWEGLOLQW-XMMPIXPASA-N", "SMILES:Cn1c(N2CCN[C@@H](c3ccc(N4CCN(CCO)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOFCCUKGBPHVSS-RUZDIDTESA-N", "SMILES:CC(C)N1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVIKVQFWSVZKP-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCNC(c3ccc(N4CCNCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFOXZMPCZBFMBO-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCNC(c3ccc(N4CCN(C(=O)OCc5ccccc5)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCZPQIXEWHRQI-BOPOOPDGSA-N", "SMILES:CN(C)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCN2)cc1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIIUXJBYFBFUES-HZKZUFNGSA-N", "SMILES:CN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCN2)cc1)C1CCCCC1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKITQBZSSVMRT-XMMPIXPASA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCN(CCO)CC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQNZSGFCTMNAAV-RUZDIDTESA-N", "SMILES:CC(C)N1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCEWJUMZDNLSMP-HXUWFJFHSA-N", "SMILES:CN(C)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGHFINJYMDBCG-GBXCKJPGSA-N", "SMILES:CN(C)[C@H]1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVQUEMULWRZDN-JOCHJYFZSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMYRVLONHDRNC-HSZRJFAPSA-N", "SMILES:CN1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXCMBSSPJXPOC-HSZRJFAPSA-N", "SMILES:Cn1c(N2CCO[C@@H](c3ccc(N4CCCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTWLREZZHBRTLY-GAMMMHEWSA-N", "SMILES:C[C@@H]1CN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)C[C@H](C)N1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPBZVJSBZKCACU-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)cc1"]}
{"name": "G protein-coupled receptor kinase 5", "xref": ["CHEMBL.TARGET:CHEMBL3721302"], "id": "UniProtKB:Q8VEB1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSAAZKBUZAQIKB-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cnc3ccc(Cc4ccccc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLDBRPSBWKLECG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3ncc(-c4cccs4)n3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALWZBBYENDJVJY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRKITNLDCQGIJI-NSKAYECMSA-N", "SMILES:O=C(CNc1cccc(C(=O)Nc2ccccc2)c1)N/N=C/c1c(Cl)cncc1Cl"]}
{"name": "Protein-serine/threonine kinase", "synonym": ["G protein-coupled receptor kinase"], "xref": ["CHEMBL.TARGET:CHEMBL3831327"], "id": "UniProtKB:F1RUX3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHFJYOGNWBJZAX-ZVHZXABRSA-N", "SMILES:O=C(CNc1cccc(C(=O)Nc2ccccc2)c1)N/N=C/c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBYLZGCZBFMSZ-WYMPLXKRSA-N", "SMILES:O=C(CNc1cccc(C(=O)Nc2cccnc2)c1)N/N=C/c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENQBUSSSWWVGH-DJKKODMXSA-N", "SMILES:NC(=O)c1cccc(NCC(=O)N/N=C/c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVIJGGXNIURPI-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCCCC1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQKHESYTSKMWFP-WZJCLRDWSA-N", "SMILES:COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVYCWESFJFBFOD-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl"]}
{"name": "Transient receptor potential cation channel subfamily M member 7", "xref": ["CHEMBL.TARGET:CHEMBL3721309"], "id": "UniProtKB:Q925B3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTSCUVSWGHFKKN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C(Sc1ccc(Cl)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVGLWVPVTNZKPO-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccc(Cl)c(Cl)c2)c(=O)oc2cc(O)ccc12"]}
{"name": "Transient receptor potential cation channel subfamily M member 7", "xref": ["CHEMBL.TARGET:CHEMBL3714706"], "id": "UniProtKB:Q923J1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145347", "category": ["biolink:ChemicalEntity"], "name": "LASALOCID", "xref": ["InChIKey:BBMULGJBVDDDNI-OWKLGTHSSA-N", "SMILES:CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C"], "synonym": ["Lasalocid", "Lasalocid", "Lasalocide", "Lasalocido", "Lasalocid a", "Lasalocid a", "NSC-243048", "RO 2-2985", "RO-2-2985", "RO-22985", "Lasalocid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3731201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOBTBDVDMESCE-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccccc2)=C(O)C2C=CC=C3c4ccccc4N1C32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1457479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKMAURKPBMOWRO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVTSHEJXBNJDPZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(c1sc3ccccc3c1Cl)=NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFCQBPNJUIDLH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(-c3ccc(Cl)c(C)c3)csc2=N)c(C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGXQJVFVOYVYDD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(SCc2nnc(-c3ccc([N+](=O)[O-])c(C)c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3347550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJZVCVVRSRNPP-ZJOUEHCJSA-N", "SMILES:C=C(C)C[C@H]1[C@H]2c3c(Br)cccc3[C@H](CC2(C)C)N1CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1358404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWZMSZQQJRKFBP-LOWVWBTDSA-N", "SMILES:O=C1C=C2C=C[C@H]3C[C@@]2(O1)[C@H]1CCCCN31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL477683", "category": ["biolink:ChemicalEntity"], "name": "PHENYLARSINE OXIDE", "xref": ["InChIKey:BQVCCPGCDUSGOE-UHFFFAOYSA-N", "SMILES:O=[As]c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZGBUJXSKLDAFE-QYHUGZLJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKWYYSODZYURD-BXXOXGIYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKTPZIVUKIRQDY-XDIGKSNJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C#Cc2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSOJDVJFXPZECQ-HPSWDUTRSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUPODANUVUXOHP-NYDSKATKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKULAKIXDABUBD-SJFOYXCYSA-N", "SMILES:CCCCCCCCN[C@@H]1C=C(C)[C@H](O)[C@H](O)[C@H]1O.Cl"]}
{"name": "Beta-galactosidase", "xref": ["CHEMBL.TARGET:CHEMBL2522"], "id": "UniProtKB:P16278", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJEHHCPQZDMBHY-KIBSRAOASA-N", "SMILES:CCCCCCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIBIOFILSIPMJ-MRUBQFBLSA-N", "SMILES:CCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDJSPPGANPTQD-NORLLQMESA-N", "SMILES:CCCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQCPUUEOOJGJX-DNFJNHEJSA-N", "SMILES:CCCCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUHOCJXNTYZBBN-KINGMPOPSA-N", "SMILES:CCCCCCCCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAHARSLOAUPIDV-BQUBBIKSSA-N", "SMILES:Cl.OCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLSZCKSWMSHHR-MRUBQFBLSA-N", "SMILES:CC(C)CN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNVAYXZDYMWLM-DNFJNHEJSA-N", "SMILES:CCC(CC)CN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNRVCXNAWLSVJE-VHICAWHZSA-N", "SMILES:Cl.O[C@@H]1[C@@H](O)[C@H](NCC2CCCCC2)C=C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXANRKMVFPNIKO-VHICAWHZSA-N", "SMILES:Cl.O[C@@H]1[C@@H](O)[C@H](NCc2ccccc2)C=C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLXQALEKGJXFM-NORLLQMESA-N", "SMILES:CCC(CC)N[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3734817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLYBWIGNWSNPK-DNFJNHEJSA-N", "SMILES:Cl.O[C@@H]1[C@@H](O)[C@H](NC2CCCCC2)C=C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZZVLNBBJLONDI-NORLLQMESA-N", "SMILES:CC(C)CCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQFBDJREKLYLP-KIBSRAOASA-N", "SMILES:Cl.O[C@@H]1[C@@H](O)[C@H](NCCc2ccccc2)C=C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDXVECHDYOYVRS-WSDLNYQXSA-N", "SMILES:O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJDMSARFYPOETQ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(N2C(=O)CC(Nc3ccc(CCO)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQDJVORSHXSUQI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)Nc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYZLAIWZJQKILP-HRONLVMISA-N", "SMILES:CN1CCN(C(=O)CNC2CC2c2cccc(OCC[C@H](NC(=O)c3ccccc3)C(=O)NCc3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYWLZFXFKFWKL-YEGUTWPFSA-N", "SMILES:CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGANWADJYOEBIJ-ACNFANBVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCCc1ccc(Cl)cc1"]}
{"name": "Plasmepsin V", "xref": ["CHEMBL.TARGET:CHEMBL3559649"], "id": "UniProtKB:Q8I6Z5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSPSRDPXLLWIRH-KECWCRPSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIKPFNXTUUJLL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3734974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMKKSNLKPITLIM-UHFFFAOYSA-N", "SMILES:Oc1ccc2oc(-c3cc(I)c(O)c4ncccc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3734916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUIJVSNKYSUIT-UHFFFAOYSA-N", "SMILES:O=Cc1c(-c2nc(NCCN3CCCC3)c3ccccc3n2)[nH]c2ccccc12"]}
{"name": "Serine/threonine-protein kinase STK11", "xref": ["CHEMBL.TARGET:CHEMBL3734644"], "id": "UniProtKB:Q9WTK7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMREWPIXQSXKU-RULDIGERSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3734953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVIYPTZKDQNSNO-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1592555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHQWHUUDRUTPU-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(Cl)cc3)ncnc21"]}
{"name": "2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3734645"], "id": "UniProtKB:Q2SWT6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:271848"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGDUPBJMWVCHMO-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(Cl)c(Cl)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPTWKADVOSGVHN-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCCc3ccc(O)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEXFYOQZHFRMF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCCc3ccc(Cl)cc3Cl)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3734792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRQSJVOCRFDKK-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1ncc2c(NCc3ccco3)ncnc21"]}
{"name": "4-diphosphocytidyl-2-C-methyl-D-erythritol kinase", "xref": ["CHEMBL.TARGET:CHEMBL3734646"], "id": "UniProtKB:Q2T1B6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:271848"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1412924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGHOYJOUGQNIAB-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMWSLJNEBSTAV-JTQLQIEISA-N", "SMILES:C[C@H](Nc1ncnc2c1cnn2C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETQYLZWJHKQSK-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1ncc2c(NCc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJCQLXQPKWXTL-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccccc3F)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTVPYYGOMRDCF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3cccc(F)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3734802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMFGBQQKCSALKS-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1ncc2c(NCc3cccc([N+](=O)[O-])c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1486830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDBMZKYXRTVPE-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(F)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COALVFKLNDSTGU-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1ncc2c(NCc3ccc(Cl)c(Cl)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPECRDLKMFTFJI-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCCc3ccccc3F)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIWSQJICSVJWGC-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCCc3cccc(F)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEEMGOGYMQTURT-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCCc3ccc(F)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDJVPMXKMGSAL-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCCc3ccc(Cl)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHYQWDPUCFATBM-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCCc3c(F)cccc3Cl)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3734902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNBPXYJHBFCOKK-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1ncc2c(NCCc3c(F)cccc3Cl)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIMVYMYVEPGLSJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1ncc2c(NCCc3c(Cl)cccc3Cl)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3734994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOJSYYKLOBOERC-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCCc3c[nH]c4ccccc34)ncnc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3348830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIJDFXNUWZTHIM-NRFANRHFSA-N", "SMILES:Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2359093", "category": ["biolink:ChemicalEntity"], "name": "ROSE BENGAL SODIUM", "xref": ["InChIKey:UWBXIFCTIZXXLS-UHFFFAOYSA-L", "SMILES:O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]"], "synonym": ["Rose bengal sodium", "Rose bengal sodium", "Rose bengale sodique", "Rose de bengala de sodio", "Rose bengal disodium salt", "Acid red 94", "Aka105(1)", "Bengal rose b sodium salt", "Japan red 105-1", "Red no. 105-1", "Rose bengal disodium", "Rose bengal disodium salt", "Rose bengal extra", "Rose bengal sodium salt"], "chembl_natural_product": true}
{"name": "Protein translocase subunit SecA 1", "xref": ["CHEMBL.TARGET:CHEMBL3832949"], "id": "UniProtKB:O06446", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWQAIVZHKYHNTD-UHFFFAOYSA-N", "SMILES:CCCCCCC1c2ccc(O)cc2Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3734827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYFKQLCTSILRP-WSHBGFIESA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCCC1c2ccc(O)cc2Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTJDCIVXTYRBND-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(C)=O)ccc1-2"]}
{"name": "Urea transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL3739246"], "id": "UniProtKB:Q62668", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSRHXKLJPUQAM-NBVRZTHBSA-N", "SMILES:O=c1oc2ccccc2cc1OC/C(=N\\O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNFXBJAGVYQIA-UNMCSNQZSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNJFYJQOLVLTF-GQCTYLIASA-N", "SMILES:COc1cc(/C=C/C(=O)c2cc(OC)ccc2O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1438439", "category": ["biolink:ChemicalEntity"], "name": "IRIGENOL", "xref": ["InChIKey:DFURNQJNFBMYHM-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cc(O)c(O)c(O)c2)coc2cc(O)c(O)c(O)c12"], "chembl_natural_product": true}
{"name": "Receptor-type tyrosine-protein phosphatase S", "xref": ["CHEMBL.TARGET:CHEMBL2396508"], "id": "UniProtKB:Q13332", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55415", "category": ["biolink:ChemicalEntity"], "name": "SCUTELLAREIN", "xref": ["InChIKey:JVXZRQGOGOXCEC-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3739950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIVXKMRCCXLILQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccco2)oc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCFZFCPTKOMFCX-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccoc2)oc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16807", "category": ["biolink:ChemicalEntity"], "name": "5-HYDROXYFLAVONE", "xref": ["InChIKey:IYBLVRRCNVHZQJ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL294009", "category": ["biolink:ChemicalEntity"], "name": "FLAVONOL", "xref": ["InChIKey:HVQAJTFOCKOKIN-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccccc2)oc2ccccc12"], "synonym": ["NCI-57653"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL276915", "category": ["biolink:ChemicalEntity"], "name": "7-HYDROXYFLAVONE", "xref": ["InChIKey:MQGPSCMMNJKMHQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL73933", "category": ["biolink:ChemicalEntity"], "name": "4'-HYDROXY-FLAVANONE", "xref": ["InChIKey:ZLHVIYHWWQYJID-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)cc2)Oc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL82242", "category": ["biolink:ChemicalEntity"], "name": "QUERCITRIN", "xref": ["InChIKey:OXGUCUVFOIWWQJ-HQBVPOQASA-N", "SMILES:C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL75897", "category": ["biolink:ChemicalEntity"], "name": "2'-HYDROXY-FLAVANONE", "xref": ["InChIKey:KZKWCKFDCPVDFJ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2O)Oc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL284616", "category": ["biolink:ChemicalEntity"], "name": "CHLOROGENIC ACID", "xref": ["InChIKey:CWVRJTMFETXNAD-JUHZACGLSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O"], "synonym": ["Chlorogenic acid", "5-cqa", "Chlorogenic acid", "Cp chlorogenic acid", "Heriguard", "Trans-5-o-caffeoylquinic acid", "Trans-caffeic acid 5-o-d-quinate", "Trans-chlorogenic acid", "NSC-407296", "NSC-70861", "Chlorogenic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3739556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMNNSUBNJRXIZ-RVFVQDDPSA-N", "SMILES:COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)c(O)cc5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487417", "category": ["biolink:ChemicalEntity"], "name": "VITEXIN", "xref": ["InChIKey:SGEWCQFRYRRZDC-VPRICQMDSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3740472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWCAMJYLCDVQL-OSYLJGHBSA-N", "SMILES:COCCCN1C[C@@H]2[C@@H](CNC(=O)c3nc(C(C)C)n4ccccc34)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSEHLZQOBINPDT-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(NC(=O)c2ccccc2OCC(=O)N2CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3739811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMNOJJSVJYOFS-FGPQKVDGSA-N", "SMILES:COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@H]1c3c(cc(O)c(C)c3OC)O[C@@](c3ccccc3)(O2)[C@@H]1O"], "chembl_natural_product": true}
{"name": "Pancreatic alpha-amylase", "xref": ["CHEMBL.TARGET:CHEMBL5730"], "id": "UniProtKB:P00690", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4299399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUFXOAAUWZOOIT-ZJGALDLUSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3740239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPIQMMZHTSPWSP-UHFFFAOYSA-N", "SMILES:CCC(c1nnnn1Cc1cccs1)N1CCN(c2nc3cc(N)cc(F)c3s2)CC1"]}
{"name": "Dystroglycan 1", "xref": ["CHEMBL.TARGET:CHEMBL3714399"], "id": "UniProtKB:Q14118", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dystroglycan 1", "xref": ["CHEMBL.TARGET:CHEMBL3739252"], "id": "UniProtKB:Q62165", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQUBYIEQLXZGB-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTIZNWFICCGJBM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHRBNLIXZQECOC-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFCWXOPGISNKU-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZPYWFFVYSYAD-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWICMVYFMPAZJL-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIICLYGUTBUPBM-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSSBZRLWDZFEX-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEXLDSNRHZPQHH-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZPCVABPWRXNKG-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZZLCQFRWUDTBO-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCUFAGAXKMMFJ-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLQQTSFZGFBJTJ-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFKWVIWYEWKBIL-UHFFFAOYSA-N", "SMILES:CN(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMFNEGHPQCYKV-UHFFFAOYSA-N", "SMILES:CCN(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHCSQXUNWJUHS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccccc2c1)N(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3739651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYAYVBHZEVZNNN-UHFFFAOYSA-N", "SMILES:O=C(CCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3739639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNFZJTPWLPQBQN-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRJWOUAOKBXNQ-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOPSVOXNPCHIM-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWWYPYVUIKPSO-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2cnccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJYADFMHZLHPA-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKDWWCBBFOKJE-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cc2ccccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXGUGTXNNHJXIT-UHFFFAOYSA-N", "SMILES:O=C(CCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKGMVNZXAVJAFG-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKOPWDMEIEFRZ-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINWRIODZMQVCQ-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQHXPRZYUYLFK-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXBHHAWYIUIOS-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYXABDSRNUYHK-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISBVHPIPMJTHFI-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1nccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFNZZXXTGXBOG-LURJTMIESA-N", "SMILES:CCCC(=O)N[C@H]1CCOC1=O"], "chembl_natural_product": true}
{"name": "CviR transcriptional regulator", "xref": ["CHEMBL.TARGET:CHEMBL1795164"], "id": "UniProtKB:D3W065", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:536"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNRXIFFQMJJZCL-UHFFFAOYSA-N", "SMILES:CCCC(=O)NN1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULCJXVCOMABGX-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)CC(=O)NN1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPDPHQGPKVQMGO-UHFFFAOYSA-N", "SMILES:CCC(C)CCCCCCC(=O)c1nc[nH]c1N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3741334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMNFVUHNJUDHER-UHFFFAOYSA-N", "SMILES:CC(C)CCCCCCC(=O)c1nc[nH]c1N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3740291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKPUKWQKXUUTOK-UHFFFAOYSA-N", "SMILES:CC1(C#N)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1"]}
{"name": "Free fatty acid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5411"], "id": "UniProtKB:Q76JU9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVYQMIBXOXZQA-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(=S)[nH]c2ccc(Cl)cc2c1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMZZXJJXHKCTI-UHFFFAOYSA-N", "SMILES:O=C(Nn1c(=S)[nH]c2ccc(F)cc2c1=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQPDOXMYJHPAA-UHFFFAOYSA-N", "SMILES:O=C(Nn1c(=S)[nH]c2ccc(F)cc2c1=O)c1ccc(CN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWMKLPHWIKBOOX-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2[nH]c(=S)n1Nc1ncc(C(F)(F)F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPBZMCGPFHZRHJ-UHFFFAOYSA-N", "SMILES:NNC(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL309339", "category": ["biolink:ChemicalEntity"], "name": "SALICYLHYDROXAMIC ACID", "xref": ["InChIKey:HBROZNQEVUILML-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3739975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZGJZKXUCAOZAA-UHFFFAOYSA-N", "SMILES:Nn1c(=S)[nH]c2ccc(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGELRKYVOFQALB-SFHVURJKSA-N", "SMILES:COc1ccc(C[C@@H]2CCCN2C(=O)c2nc(C)sc2-c2ccc3c(c2)OCO3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3739988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVMPENEYDGBER-ALXJYJCXSA-N", "SMILES:CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(F)(F)c1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N(c2ccccc2)c2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSUGNFLXKLJXAE-MKPCDPKHSA-N", "SMILES:CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)/C=C/c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(C)(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCKPFKOGDPTLEO-PLGDRUJVSA-N", "SMILES:CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(F)(F)c1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQIFBZCKRIQASX-GPOAWYFJSA-N", "SMILES:C/C(=C\\C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)c1ccccc1)C(C)(C)C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNNZSCKHTIQRFJ-GPOAWYFJSA-N", "SMILES:C/C(=C\\C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)C1CCCCC1)C(C)(C)C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKZPZOCYJCAPAM-ZSIZJZIHSA-N", "SMILES:COC(=O)C[C@H](C)[C@@H](O)[C@]1(C(=O)OC)CC(=O)c2c(ccc(-c3ccc(O)c4c3O[C@]3(C(=O)OC)C(=C(O)C[C@H](C)[C@H]3O)C4=O)c2O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3741589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAAWETUDFSIYSD-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACDAUZLYGRSMHE-OAMUUVBCSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C/c2ccccc2[N+](=O)[O-])ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1682819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSKQOBQOSSMQQ-UHFFFAOYSA-N", "SMILES:O=C1CCOc2cc(OCc3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBUBPCSKFDKKFO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCOCC3)ccn12"]}
{"name": "Bromodomain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL2176774"], "id": "UniProtKB:O95696", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEACCZKINFJRSI-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccn2c(NCc3ccc(NC(=N)N)cc3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKLFULKFHWILK-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(CNc2cnc3cc(C(=O)NC4CC4)ccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAVFOOICDJSBIZ-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(CNc2cnc3cc(C(=O)NCc4cccc(F)c4)ccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGOFDILOPZPRIW-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(CNc2cnc3cc(C(=O)NC4CCCC4)ccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKXCPVNSZBUFV-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(CNc2cnc3cc(C(=O)NCCO)ccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDVUWFEEVNNIO-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)c2ccn3c(NCc4ccc(NC(=N)N)cc4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWWFAXQOKNBUCR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12"]}
{"name": "Transmembrane domain-containing protein TMIGD3", "xref": ["CHEMBL.TARGET:CHEMBL3712907"], "id": "UniProtKB:P0DMS9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYKNDDYSWFVHPW-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2cnc(N3CCc4ccccc4C3)nc2)c1"]}
{"name": "Androgen receptor", "xref": ["CHEMBL.TARGET:CHEMBL3056"], "id": "UniProtKB:P19091", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBZKFVBFOICDL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN(c1cnc(C(=O)Nc3cccc(C)n3)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTZBFAYTFUJFIU-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(N3CCc4cc(O)ccc4C3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFSRKYZESOOSAP-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(N3CCc4cc(OCCCc5ccccc5)ccc4C3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSWFZOHMOACHFR-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQJKHCIAKGGWCM-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466300", "category": ["biolink:ChemicalEntity"], "name": "AMPELOPSIN C", "xref": ["InChIKey:QDEHKEFWCRAFDN-DMGQSWNOSA-N", "SMILES:Oc1ccc([C@@H]2c3c(O)cc4c5c3[C@@H]([C@@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@@H]5[C@@H](c3ccc(O)cc3)O4)[C@H]2c2cc(O)cc(O)c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3747026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJADEJCJLLXFW-IFKMBAQESA-N", "SMILES:Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(cccc4[C@@H]2c2cc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)ccc2O)O[C@@H]3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLRHTRHXMQDDM-SEADGHMKSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H](C#CC#C[C@H](O)CC45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLRHTRHXMQDDM-YBQFBETBSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H](C#CC#C[C@@H](O)CC45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGRTJZGAMDLML-UGURYIEVSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H](C#CC#C[C@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQMQAMVZJEQHV-GUSVQLCXSA-N", "SMILES:Oc1ccc([C@H]2c3ccc4c(c3[C@@H]3[C@@H](c5ccc(O)cc5)c5c(O)cc6c(c5[C@H]23)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O6)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDEHKEFWCRAFDN-ZYLOEWDGSA-N", "SMILES:Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)c5c4[C@H]2[C@@H](c2cc(O)cc(O)c2)[C@@H]5c2ccc(O)cc2)O[C@H]3c2ccc(O)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3745938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOKMGCRXPMLKU-PRNPWNMYSA-N", "SMILES:Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(cc(O)cc4[C@H]4[C@H](c5ccc(O)cc5)c5cc(O)cc(O)c5[C@H]24)O[C@@H]3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503168", "category": ["biolink:ChemicalEntity"], "name": "DATISCETIN", "xref": ["InChIKey:WCNLFPKXBGWWDS-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccccc2O)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL129918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXFJZKUFXHWWAJ-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2403487", "category": ["biolink:ChemicalEntity"], "name": "PHLOROGLUCINALDEHYDE", "xref": ["InChIKey:BTQAJGSMXCDDAJ-UHFFFAOYSA-N", "SMILES:O=Cc1c(O)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3746374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMRQRDSXSJLTAI-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)c1c(O)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3747578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHWREHFNDMRPR-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(O)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3746361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZUFSVQWQCPKOI-UHFFFAOYSA-N", "SMILES:O=C1Oc2cc(O)cc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKDAFWKKUGXFSL-UHFFFAOYSA-N", "SMILES:O=C1C(=O)C(O)(c2ccc(O)cc2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRMKKYIDVRIVLF-UHFFFAOYSA-N", "SMILES:O=c1c(OOc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGRTJZGAMDLML-LAJRHNKVSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H](C#CC#C[C@@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRGAIDAWHGYOKD-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(-c2nc3c(NCC4CCNCC4)c(Cl)cnc3[nH]2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGWDJIBLGZJOF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(NC(=O)NCCCC(=O)NO)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYZYYWKVKCHUAH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(NC(=O)NCCCC(=O)NO)cc3c4ccccc4n(C)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZNAFSDUTMZGSF-LJQANCHMSA-N", "SMILES:CN(C)CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGMVQKQNTXMPT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3ccc(OCCN5CCOCC5)cc34)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPWYQCBKKWTKHU-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCn2c3c(c4ccc([N+](=O)[O-])cc4c2=O)C(=O)c2cc4c(cc2-3)OCO4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOASLUKBQQILBV-UHFFFAOYSA-N", "SMILES:O=C1c2cc3c(cc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCCC1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPNZSYVTXLUXRD-UHFFFAOYSA-N", "SMILES:O=C1c2cc3c(cc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCCCC1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXXAKVZTFWGWJC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSHVPHGWLYQIU-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCn2c3c(c4ccc(N)cc4c2=O)C(=O)c2cc4c(cc2-3)OCO4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHULRXYPMDWCV-UHFFFAOYSA-N", "SMILES:Nc1ccc2c3c(n(CCCN4CCCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLAPDOVEBPRDLC-UHFFFAOYSA-N", "SMILES:Nc1ccc2c3c(n(CCCN4CCCCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBJSDXFYIGTROO-UHFFFAOYSA-N", "SMILES:Nc1ccc2c3c(n(CCCN4CCOCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWVGWSIGGALGOB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCn1c2c(c3ccc(N)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFIZLCTLXHGIE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c3c(n(CCCCl)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLBVHGPYBBWFK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c3c(n(CCCN4CCN(C)CC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJLWWOPKASHNE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c3c(n(CCCN4CCCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIWDSMFFDRWJDT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c3c(n(CCCN4CCCCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONGHYHDFTPSXRQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c3c(n(CCCN4CCOCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZLNPJNLUMZKMD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCn1c2c(c3ccc(NC(C)=O)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTUESOAXVRCHF-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(n(CCCN4CCN(C)CC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEOILEMXLHABNP-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(n(CCCN4CCCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRYZGBEXZVJMQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(n(CCCN4CCCCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFKNYQDVBNRYNI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCn1c2c(c3ccc(OC)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYYPHKKIUALGE-AGVJYFIKSA-N", "SMILES:CO[C@]12C=C[C@@]3([C@@H]4C(=O)N(CCCCCCN)C(=O)[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDLWTYKSQMFDU-HCKJFIJVSA-N", "SMILES:CO[C@]12C=C[C@@]3([C@@H]4C(=O)N(CCCCCCNC(=O)OC(C)(C)C)C(=O)[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKKZOBLVKGLPBV-CGBQWWFNSA-N", "SMILES:CO[C@]12CC[C@@]3(C[C@@H]1C(=O)NCCCCCCN)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWLLKDFIVSMLY-WUHZNUJESA-N", "SMILES:CO[C@]12CC[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGHYRDXIWABZOH-CGBQWWFNSA-N", "SMILES:CO[C@]12C=C[C@@]3(C[C@@H]1C(=O)NCCCCCCN)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVSPOULYYBPLY-WUHZNUJESA-N", "SMILES:CO[C@]12C=C[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJCECRNQNFUMS-LNYXTUESSA-N", "SMILES:CO[C@]12CC[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZROXTJPGAFFWJD-RZUSPJENSA-O", "SMILES:CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCNC(=O)[C@H]3C[C@@]45CC[C@]3(OC)[C@@H]3Oc6c(O)ccc7c6[C@@]34CCN(C)[C@@H]5C7)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANXZCRSIOWLNA-UHFFFAOYSA-N", "SMILES:CNCCNc1c2c(c(NCCNC)c3occc13)C(=O)c1ccccc1C2=O"]}
{"name": "Ecto-NOX disulfide-thiol exchanger 2", "xref": ["CHEMBL.TARGET:CHEMBL3714292"], "id": "UniProtKB:Q16206", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTZIWUDPGVXYEI-UHFFFAOYSA-N", "SMILES:N=C(N)NCCNc1c2c(c(NCCNC(=N)N)c3occc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVYGTEVLECNWOZ-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cc3c(NCCNC(=N)N)c4c(c(NCCNC(=N)N)c3o2)C(=O)c2ccccc2C4=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTPWQFELARKMH-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(OC(=O)c1cc(N(O)C4CCCO4)on1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEVBNQULIOXDBE-CRFURNLWSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C(=C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEVBNQULIOXDBE-LEHMOOCBSA-N", "SMILES:C=C1/C(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C(=C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PALCJDXRZVZWMC-UHFFFAOYSA-N", "SMILES:NCCNc1c2c(c(NCCN)c3occc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEJXELMBDCXXAQ-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105717", "category": ["biolink:ChemicalEntity"], "name": "CABOZANTINIB", "xref": ["InChIKey:ONIQOQHATWINJY-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC"], "synonym": ["Cabozantinib", "Cabozantinib", "Cabozantinib", "Cabozantinib", "Cabozantinib", "BMS-907351 FREE BASE", "XL-184 FREE BASE", "Cabozantinib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3752844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBGVKUDZVPHDA-UHFFFAOYSA-N", "SMILES:CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(ccn3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNRPNBOORDHFSF-UHFFFAOYSA-N", "SMILES:CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQWTUOLCGKIECB-XZWHSSHBSA-N", "SMILES:O=C1[C@H](Cc2ccc(O)cc2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL317869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLFUILNISGLHO-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C(=O)CC(c1ccccc1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL228862", "category": ["biolink:ChemicalEntity"], "name": "6-BENZYLAMINOPURINE", "xref": ["InChIKey:NWBJYWHLCVSVIJ-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2ncnc3[nH]cnc23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL143054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZNDNBFMSVMUCX-UHFFFAOYSA-N", "SMILES:N=C(N)NCCNS(=O)(=O)c1cccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPJLCSIYPRDCSP-UHFFFAOYSA-N", "SMILES:CNc1ncnc2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFDBRRYDVYLJMX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nccc2-n2c(-c3cc(C)n(C)n3)n[nH]c2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYVABZIGRDEKCD-UHFFFAOYSA-N", "SMILES:CC(C)=CCNc1ncnc2[nH]cnc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3754032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSAWLRITYUTKOF-UHFFFAOYSA-N", "SMILES:CCc1c(CNC(=O)CCC(=O)NCCCOCCOCCOCCCN)c(CC)c(CNC(=O)c2ccc(O)c(O)c2O)c(CC)c1CNC(=O)c1ccc(O)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGFKAKZVVFAGSR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)NC1=NCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QERPHZRBYIZUPI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)COc2ccc(C3=NCCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHHJMPXCBTTZEA-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C2=NCCN2)cc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFMNOIMUSPYONZ-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)Nc1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEKVUDQYWRMFT-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTFRPARVGSBALM-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc(C2=NCCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGVEJFICBTEIY-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3ccccc23)oc2cc(OCCCCCCCCN3CCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIIDEPDOWNLPBN-SNAWJCMRSA-N", "SMILES:CC(C)(CCCOc1ccc(/C=C/c2ccc(Cl)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZHUYVZQDIFSTL-SNAWJCMRSA-N", "SMILES:CC(C)(CCCOc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRBKJDHRNLCVHP-UHFFFAOYSA-N", "SMILES:COc1cc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccc(C(C)C)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOXTXHGEZDZTLT-CJWQTPIZSA-N", "SMILES:COc1ccc(/C=C/c2ccc3c(c2)[C@@H](c2ccc(OC)cc2)[C@H](c2ccc(O)cc2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWAPPSRYPVADPA-IFXAMUMFSA-N", "SMILES:COc1cc(/C=C/c2ccc3c(c2)[C@@H](c2cc(OC)cc(OC)c2)[C@H](c2ccc(O)cc2)O3)cc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3753433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQCRDIILLHLWOW-FIUDTFNTSA-N", "SMILES:COc1cc([C@@H]2Oc3c(OC)cc(/C=C/c4cc(OC)c(OC)c(OC)c4)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDONJQIYHGHIJV-VCPQXCNPSA-N", "SMILES:COC(=O)/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OC)[C@H](c1ccc(O)c(O)c1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3752388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNJRJGPVTFCVCS-ZLNADXECSA-N", "SMILES:CCOC(=O)/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OCC)[C@H](c1ccc(O)c(O)c1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3754377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTHWFGIACUKDO-FKIJPYOHSA-N", "SMILES:CCCCOC(=O)/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OCCCC)[C@H](c1ccc(O)c(O)c1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKUCYYXMPADMOH-RBUPXXSZSA-N", "SMILES:O=C(/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OCCc1ccccc1)[C@H](c1ccc(O)c(O)c1)O2)OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJQPNQROUWVJQN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOHLCKBCGGSSCP-UGKRXNSESA-N", "SMILES:C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(N)=O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C1"], "chembl_natural_product": true}
{"name": "Threonine--tRNA ligase 1, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL3391"], "id": "UniProtKB:P26639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Threonine--tRNA ligase 1, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL3751649"], "id": "UniProtKB:Q9D0R2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL394528", "category": ["biolink:ChemicalEntity"], "name": "AGLAFOLIN", "xref": ["InChIKey:VFTGDXPPYSWBSO-GWNOIRNCSA-N", "SMILES:COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(OC)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL518601", "category": ["biolink:ChemicalEntity"], "name": "ROCAGLOIC ACID", "xref": ["InChIKey:HLORMQRMDNZHJH-PXIJUOARSA-N", "SMILES:COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)O)[C@H]3c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3752535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSELENWCSVYKKU-KKPOPCGDSA-N", "SMILES:C#CCNC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(OC)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFVNIWNNCYQCG-YDWZFYHYSA-N", "SMILES:COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)NCc2cn(CCCOCCOCCOCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nn2)[C@H]3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651036", "category": ["biolink:ChemicalEntity"], "name": "2'-EPISILVESTROL", "xref": ["InChIKey:GVKXFVCXBFGBCD-JRPGFILLSA-N", "SMILES:COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(O[C@@H]4O[C@@H]([C@@H](O)CO)CO[C@H]4OC)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1"], "synonym": ["2''-Episilvestrol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3752463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWYKDWKPYVBRU-SMEJHLNESA-N", "SMILES:COc1ccc([C@@]23Oc4cc(O[C@@H]5O[C@@H]([C@@H](O)CO)CO[C@H]5OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)NCc2cn(CCCOCCOCCOCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nn2)[C@H]3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438139", "category": ["biolink:ChemicalEntity"], "name": "ROCAGLAMIDE", "xref": ["InChIKey:DAPAQENNNINUPW-IDAMAFBJSA-N", "SMILES:COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1"], "chembl_natural_product": true}
{"name": "Eukaryotic initiation factor 4A-II", "xref": ["CHEMBL.TARGET:CHEMBL3751650"], "id": "UniProtKB:P10630", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Collagen alpha-1(I) chain", "xref": ["CHEMBL.TARGET:CHEMBL3751652"], "id": "UniProtKB:Q9XSJ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMKIRXPVZYQJP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL47464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFDGHCTXVZHIH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(O)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMGPSMXQKYQKT-VULFUBBASA-N", "SMILES:Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N/OCc2ccccc2F)cc1"]}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform", "xref": ["CHEMBL.TARGET:CHEMBL2189158"], "id": "UniProtKB:Q9JHG7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZUMXNKAYXUJS-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2nc(CN3CCN(Cc4ccccc4)CC3)oc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15192", "category": ["biolink:ChemicalEntity"], "name": "LAPACHONE", "xref": ["InChIKey:QZPQTZZNNJUOLS-UHFFFAOYSA-N", "SMILES:CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O"], "synonym": [".beta.-lapachone", "Arq 501", "Beta lapachone", "Beta-lap-wj", "Beta-lapachone", "Lapachone", "Lapachone, beta-", "ARQ 501", "ARQ-501", "MB-12066", "NSC-26326", "NSC-629749"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2431717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVXCZFZFHKSABI-XZOYJPPVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEKVUPTLOWCGT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=Nn3c(nnc3C(C)c3ccc(CC(C)C)cc3)SC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOTKFVIQXYSGDB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=Nn3c(nnc3C(C)c3ccc(CC(C)C)cc3)SC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMRUZBRBWKIKNU-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRKHPVPEYOAKW-UHFFFAOYSA-N", "SMILES:CC(=O)N1C(C)(C)CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSBQQHHRFHKNZ-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1ccc(CNc2nccc(-c3cccnc3)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKHBMNHLWJUQI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZDJSANCQUJOB-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2Cc2sccc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHSMMEAYPKEOAQ-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2Cc2ccsc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITQSHZFILPALT-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2Cc2sc3ccccc3c2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJASCSHXLYLOCF-UHFFFAOYSA-N", "SMILES:c1ccc2oc(CNCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTOWEAFYVFGTD-FATQYQBQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHCRUCFKSJDMPS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2[nH]c(-c3ccc(N4CCCCC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRRAUACYORZLX-FUHWJXTLSA-N", "SMILES:O[C@H](C[C@H]1c2ccccc2-c2cncn21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRRAUACYORZLX-WMZOPIPTSA-N", "SMILES:O[C@@H](C[C@H]1c2ccccc2-c2cncn21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFMLCQMAZVLOR-SQZVAGKESA-N", "SMILES:CN(C)c1ccc(COc2ccc(OCC[18F])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNFMREXXSVOVBA-SQZVAGKESA-N", "SMILES:CN(C)c1ccc(OCc2ccc(OCC[18F])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFDDJNXJKQPECR-IFMALSPDSA-N", "SMILES:Cc1ccc(N2C(=O)[C@H](CCCNS(=O)(=O)c3cccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIOEXAAQGAQLG-KAYWLYCHSA-N", "SMILES:CCc1ccc(S(=O)(=O)NCCC[C@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(NS(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEZAHLXDGEQSU-CZNDPXEESA-N", "SMILES:CCc1ccc(S(=O)(=O)NCCC[C@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDHUVJBMSIQOHY-FIRIVFDPSA-N", "SMILES:Cc1ccc(N2C(=O)[C@H](CCCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@H]2c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPOBJFPJDNDNPJ-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(O)cc2)=C(c2ccc(F)cc2)C(=O)N1CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLFFXZYTGIXAR-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(O)cc2)=C(c2ccc(F)cc2)C(=O)N1CCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNAARIBPAIJLEO-CLJLJLNGSA-N", "SMILES:CCc1ccc(S(=O)(=O)NCCC[C@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYLMDVRSNXYOT-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(N=C=S)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENUXIPUPNDUOV-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1nc2c(O)cc3c4ccccc4oc3c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282731", "category": ["biolink:ChemicalEntity"], "name": "CICHORIC ACID", "xref": ["InChIKey:YDDGKXBLOXEEMN-IABMMNSOSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3758189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUAPLVADCWIHH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(CCC(CO)CO)cc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3760004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBNHKTLARCTXCP-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCCCOc3ccc(CCn4cc(NC(=O)CSc5ccc(Br)cc5)c(C(=O)O)n4)cc3)cccc12"]}
{"name": "FAS-associated factor 1", "xref": ["CHEMBL.TARGET:CHEMBL3758063"], "id": "UniProtKB:Q9UNN5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWBXZWDYPSCAJW-QYDYLWNGSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCOc1ccc(CCn2cc(NC(=O)CSc3ccc(Br)cc3)c(C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESYZLGMOGDETQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(CC(=O)Nc3ccc4c(c3)[nH]c3ccccc34)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKGSBPSNXKNEDJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMYCXZDZIPKKEQ-UHFFFAOYSA-N", "SMILES:CN1CCN(CCn2c(N)c(-c3nc4ccccc4[nH]3)c3nc(C#N)c(C#N)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCRDRZVVBAZABM-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCCNc3ccccc3)c2nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYWDYDRKFTOOB-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(N)c(-c2nc3cc(Cl)ccc3[nH]2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZSXZYAATFADJE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCn1c(N)c(-c2nc3cc(Cl)ccc3[nH]2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WABWTPHQAIZXTL-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c(N)c(-c2nc3cc(Cl)ccc3[nH]2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXUPWCOFMZLCS-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCn1c(N)c(-c2nc3cc(Cl)ccc3[nH]2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL530067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYIFMVGFGPCNRI-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL580507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZUYNNSSCOCFTF-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMBBHHJDDSXOT-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYJNZSFQBXNNV-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJUKQKBZALFNKZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSBOOIMMJYKKD-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(N)c(-c2nc3ccccc3o2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEJUQGYYIWPTBC-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c(N)c(-c2nc3ccccc3o2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQFZHPQTKPHVND-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCn1c(N)c(-c2nc3ccccc3o2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQUGMXMAWYDTG-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(N)c(-c2nc3ccccc3s2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYMVXNYBQCXAO-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c(N)c(-c2nc3ccccc3s2)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVAVWJMFYAOCMP-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(N)c(-c2nc3ccccc3n2C)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZLGFCTXUTMEO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCn1c(N)c(-c2nc3ccccc3n2C)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJFGWSLEBCYRI-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYIBOUOSLGVHHA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNNVYNMQAAKQP-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c(-c2c(N)n(C)c3nc(C#N)c(C#N)nc23)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQHGFWLIXYUIP-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCn1c(-c2c(N)n(C)c3nc(C#N)c(C#N)nc23)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQPWKVGXPWCDEE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKUPBFOSGYHJPO-UUTNPJQJSA-N", "SMILES:Cl.c1ccc2c(c1)/C(=N\\OCCN1CCCC1)c1nc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDMVASXLOSXAX-IMPZXOFZSA-N", "SMILES:CN(C)CCCO/N=C1\\c2ccccc2-c2nc3ccccc3nc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHKWICNGAIBRA-UUTNPJQJSA-N", "SMILES:Cc1cccc2nc3c(nc12)-c1ccccc1/C3=N\\OCCCN(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHYWXISJGXWZCK-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cccc2nc3c(nc12)-c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFJJQWOTWRKPL-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cccc2nc3c(nc12)-c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDNGIIOLXMIFW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc3c(C(=O)NCCN4CCCC4)cccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCJQTJZXHWZAW-WTKGSRSZSA-N", "SMILES:CN(C)CCCNC(=O)c1cccc2nc3c(nc12)-c1ccccc1/C3=N\\OCCCN(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJEAUCJWOAKCMK-BTCGTBLPSA-N", "SMILES:CN(C)CCCO/N=C1\\c2ccccc2-c2nc3c(C(=O)NCCN(C)C)cccc3nc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTOYLBJOVZECTK-YRFGZABDSA-N", "SMILES:CN(C)CCCO/N=C1\\c2ccccc2-c2nc3c(C(=O)NCCN4CCCC4)cccc3nc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSSLIBHODTIMC-YRFGZABDSA-N", "SMILES:CN(C)CCCO/N=C1\\c2ccccc2-c2nc3c(C(=O)NCCN4CCOCC4)cccc3nc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMAZRZFIIWTKNG-IHMLKVNQSA-N", "SMILES:C(=N/OCCN1CCCC1)\\c1cccc2nc3c(nc12)-c1ccccc1/C3=N\\OCCN1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBXVHPXGBZHNR-JDWYCSPXSA-N", "SMILES:CN(C)CCCO/N=C/c1cccc2nc3c(nc12)-c1ccccc1/C3=N\\OCCCN(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIOKHLCOYJSME-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cccc2nc3c(nc12)-c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVUURLEXSEQDJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc3c(CN4CCCC4)cccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAAWFIUFNHPIPN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc3c(CN4CCCCC4)cccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGPRLOKZSVUXFS-LIUXSCBKSA-N", "SMILES:CN(C)CCCO/N=C1\\c2ccccc2-c2nc3c(CN(C)C)cccc3nc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFHQPRAWTQLMKZ-YTGAECEWSA-N", "SMILES:CN(C)CCCO/N=C1\\c2ccccc2-c2nc3c(CN4CCCC4)cccc3nc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZUVMKBNASHTIS-DPWCPDSHSA-N", "SMILES:CN(C)CCCO/N=C1\\c2ccccc2-c2nc3c(CN4CCCCC4)cccc3nc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCONOFUVQISZPU-YTGAECEWSA-N", "SMILES:CN(C)CCCO/N=C1\\c2ccccc2-c2nc3c(CN4CCOCC4)cccc3nc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTQQWBVQZVKYDZ-HNTAQFSESA-N", "SMILES:CN(C)CCCO/N=C1\\c2ccccc2-c2nc3c(CN4CCC(N5CCCCC5)CC4)cccc3nc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1243229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWSZTDCKCPHIR-YYDJUVGSSA-N", "SMILES:COc1ccc2c(c1)/C(=N\\OCCN1CCCC1)c1c-2c(O)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIAIHNIXGMDMO-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc(F)cc2)c2cc(Cl)cnc2N1"]}
{"name": "Mitochondrial sodium/calcium exchanger protein", "xref": ["CHEMBL.TARGET:CHEMBL3763001"], "id": "UniProtKB:Q6J4K2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVHGHPPLLNYCID-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccccc2)c2cc(Cl)cnc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1495071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEPIRKXSUIUTH-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccccc2Cl)c2cc(Cl)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZMXNGPAQDHQPR-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccccc2Br)c2cc(Cl)cnc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNFVYYNRZPREN-HFTWOUSFSA-N", "SMILES:CN1CCN(CCCOc2ccc(N3C(=O)/C(=C/c4ccc(Oc5ccc(F)cc5)cc4)SC3=S)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRBOLHGJBENEV-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDXLXNZHRZCDND-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)cc(N3CCN(Cc4ccc5nonc5c4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1506885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTRXWCLQFAZHGP-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGNGOBHHWKRFH-VYACWCJYSA-N", "SMILES:C[C@H](CCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1076555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGXZJKLOFCECI-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1"]}
{"name": "Sphingolipid delta(4)-desaturase DES1", "xref": ["CHEMBL.TARGET:CHEMBL2021749"], "id": "UniProtKB:O15121", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPPNTMKNDHDVNI-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2nnc(-c3ccc(Cl)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZSUSWRVAYKBL-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2nnc(-c3ccc(I)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZQNPADVDWVBA-UHFFFAOYSA-N", "SMILES:N/C(=N\\O)c1ccc(Nc2nnc(-c3ccc(Cl)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDIGKHKFSWTRF-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)c(Cl)c3)c2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSCXVWICBGGBP-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763743", "category": ["biolink:ChemicalEntity"], "name": "TTC-352", "xref": ["InChIKey:UDBMVVLTKJMPCJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(Oc2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1"], "synonym": ["Ttc-352", "SHERPA TTC-352", "TTC-352"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBTGAERHCAWPBD-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHWBPIMZQNSMU-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(nc3ccccn23)-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPGSDBSFQPHKMV-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(n2c1)C(=O)C(=O)c1ccccc1-3"]}
{"name": "NADPH--cytochrome P450 reductase", "xref": ["CHEMBL.TARGET:CHEMBL2169731"], "id": "UniProtKB:P16435", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBXCZFOKKJSQY-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(n2c1)C(=O)C(=O)c1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUOMRAEJMQDOJ-UHFFFAOYSA-N", "SMILES:Cc1ccn2c3c(nc2c1)-c1ccccc1C(=O)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJBQQBXPQHRJV-UHFFFAOYSA-N", "SMILES:Cc1cccn2c3c(nc12)-c1ccccc1C(=O)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGOZXDBBEDUYLW-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(nc3ccc(F)cn23)-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYGUWNBWRRBMX-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(nc3ccc(Cl)cn23)-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXHMDDSVSOYHR-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(nc3ccc(Br)cn23)-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHQRFSBLFQRMV-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(nc3ccc(C(F)(F)F)cn23)-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULCXPVHUMSRML-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(nc3ccc([N+](=O)[O-])cn23)-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQNPNRHNKQHFN-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(nc3ccccn23)-c2ccc([N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKTWMKZOHJRQNH-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(nc3ncccn23)-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJPBQFSTOVAFAM-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(nc3ccc4ccccc4n23)-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZYGPCQJXQOQO-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(CCNC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBKUGRLWVNDFE-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(I)c(CCNC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZQVDDXJOZFBFA-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3ccccc3)c(CCNC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWMADAOVYOMFM-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3ccc(F)cc3)c(CCNC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSDHSOGOLFEAP-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3ccc4ccccc4c3)c(CCNC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBONVZKKEXRKAB-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3c(C)cccc3C)c(CCNC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSABVWRNALCDM-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3cccc4ccccc34)c(CCNC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGDWOMBMESZUJI-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3c4ccccc4cc4ccccc34)c(CCNC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLINYDEMGFXFS-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3cc4ccccc4c4ccccc34)c(CCNC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEFTPQGPWNRNH-LXTVHRRPSA-N", "SMILES:O[C@@H]1[C@@H](O)[C@H](Nc2cccc3ccccc23)OC[C@H]1O"]}
{"name": "Endoplasmic reticulum chaperone BiP", "xref": ["CHEMBL.TARGET:CHEMBL1781865"], "id": "UniProtKB:P11021", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMTGRASTXVJGRR-PLACYPQZSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZEJTKHRBQWACL-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc(C)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDICTUTXIOTBC-WOJGMQOQSA-N", "SMILES:CN(C)c1ccc(C(=O)N/N=C/c2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJNZHSNJLHVML-XDHOZWIPSA-N", "SMILES:CN(/N=C/c1ccc(C(=O)NO)cc1)C(=O)c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXONVJJRRBXWDX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGLGYNQQSIUGX-NFOTXUCKSA-N", "SMILES:OC[C@@H]1O[C@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3764287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKGIFPMJNXWDKN-UHFFFAOYSA-N", "SMILES:Cl.c1cnc2ccc(N3CCN4CCC3C4)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCGOQYSYKYOKLN-UHFFFAOYSA-N", "SMILES:Cl.O=C(NC1CN2CCC1CC2)c1ccc2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLNKRKVCSZRIK-UHFFFAOYSA-N", "SMILES:O=C1c2ccsc2C(=O)c2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNJMNVFDLKRPOF-UHFFFAOYSA-N", "SMILES:O=C1c2ccsc2C(=O)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRWBROVNYMFWDM-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIMDYLYESAVOQS-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGSGBABOXQXBG-UHFFFAOYSA-N", "SMILES:CCc1noc(-c2cc3c(s2)C(=O)c2c(Cl)cccc2C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQOGHQKGBYSQMD-UHFFFAOYSA-N", "SMILES:CCc1noc(-c2cc3c(s2)C(=O)c2c(O)cccc2C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVIQXDINSVWUAD-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(Nc2nnnc3ccc(N4CCC(N5CCCC5)CC4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMPOYDYTKCFORM-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAVBKFISCRSHAT-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)[nH]c(-c3ccc(CN4CCC(N(C)C)CC4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDFLGWBZRQJVTM-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=N)N/C(=N/O)c1nonc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZALCVQZUCMEJE-UHFFFAOYSA-N", "SMILES:N=C(N/C(=N/O)c1nonc1N)N1CCCN=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKTGWFUBZHRJRK-UHFFFAOYSA-N", "SMILES:Cl.NOCc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPCEIVCWGWHCC-UHFFFAOYSA-N", "SMILES:Cl.NOCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSVCZYXGOGRMH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCN1CCc3c(OC)cccc3C1=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDXWSYOXIRPYFK-RRFJBIMHSA-N", "SMILES:C=C(CCCCC)[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJBOLIIHNNOAV-UHFFFAOYSA-N", "SMILES:CCC(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPAHYLNIDWFBPW-UHFFFAOYSA-N", "SMILES:CCC(Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXAWBZCBBVCHHX-CPNJWEJPSA-N", "SMILES:COc1ccc(/C(=C\\c2cc(OC)c(OC)c(OC)c2)C(=O)N2CCC=CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXUWXBHNYJLKU-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYNLYGPDIXWAQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLFAWALTWFASK-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUGGARPHMZQQEO-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEAMPRBYGQHTAE-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKDKWJVGQKOCK-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1NCc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSCTBSLLZLSNB-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLGOJCVVCOTKC-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKNRDBPKLZRTOR-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOUFJAPAACDCJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZTDWHFUCHYGAK-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1NCc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJBNLBRREGJKMN-UHFFFAOYSA-N", "SMILES:CN1CCC=C(c2ccc(CN(C)Cc3ccc([N+](=O)[O-])cc3)cc2)C1"]}
{"name": "Lanosterol synthase", "xref": ["CHEMBL.TARGET:CHEMBL3593"], "id": "UniProtKB:P48449", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFLCSMNZHAHIV-UHFFFAOYSA-N", "SMILES:CN1CCC=C(c2ccc(CN(C)Cc3ccc(Cl)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLRHEFYKAJNXAZ-UXBLZVDNSA-N", "SMILES:CN1CCC=C(c2ccc(CN(C)C/C=C/c3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWRNNQRRFXCJDU-HWKANZROSA-N", "SMILES:CN1CCC=C(c2ccc(CN(C)C/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZNORAAYUNJQFS-UHFFFAOYSA-N", "SMILES:CN1CCC=C(c2ccc(CN(C)CCCc3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOSPPCRDYBBAY-UHFFFAOYSA-N", "SMILES:CN1CCC=C(c2ccc(CN(C)Cc3ccc4ccccc4c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALRJKCCKLBHAX-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(Cl)cc1)Cc1ccc(C2CCCN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIODGOMWUPVNAX-UXBLZVDNSA-N", "SMILES:CN(C/C=C/c1ccccc1)Cc1ccc(C2CCCN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXPKMORWORDPML-UHFFFAOYSA-N", "SMILES:CN(CCCc1ccccc1)Cc1ccc(C2CCCN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANABIVQFGRNDFM-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C2CCCN(C)C2)cc1)Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOBRTKRGDGOYCS-UHFFFAOYSA-N", "SMILES:CN1CCCC(c2ccc3c(c2)CCC3N(C)Cc2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDGQFUYOOYEGE-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(CN(C)Cc3ccc(Cl)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBNUHWUTAHSPER-XYWHTSSQSA-N", "SMILES:CN(C)Cc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMYCCJYVZIMDFU-UHFFFAOYSA-N", "SMILES:C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCZVTZDVNSNSP-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(Cl)cc1)Cc1cn(C2CCCN(C)C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJFGEGYVWUAGV-QWYDYZLZSA-N", "SMILES:COc1ccccc1/C=C/C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1184949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMJHMNZGTJDKCS-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1"]}
{"name": "Kallikrein-2", "xref": ["CHEMBL.TARGET:CHEMBL2442"], "id": "UniProtKB:P20151", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDHLROQTKJDLK-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWBNFSUYTZMPST-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(CCC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUERLEAEQXSRKX-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(CP(=O)(Oc2ccccc2)Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTAEACZUNFQMP-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(CCP(=O)(Oc2ccccc2)Oc2ccccc2)cc1"]}
{"name": "Kallikrein-1", "xref": ["CHEMBL.TARGET:CHEMBL2319"], "id": "UniProtKB:P06870", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYKNZPTAOGMPI-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccc(O)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1"]}
{"name": "Kallikrein-8", "xref": ["CHEMBL.TARGET:CHEMBL4812"], "id": "UniProtKB:O60259", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYCVSPRVSFUVMA-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVGMDANEFALECQ-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCC(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CURCBYFDFLHMLI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Cl)cc34)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENNDDDTIIZDDN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXQMPUBKBBUVQQ-XNTDXEJSSA-N", "SMILES:O=C(/C=C/c1ccccc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJDMMIBGFVIDR-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQTBIVLRMFWATO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSCDEMOJMGKWTF-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNUWNJXULFMAJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOPCEBLOAPYJGK-WUXMJOGZSA-N", "SMILES:COc1cccc(/C=N/NC(=N)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOLXYNYYMDFQD-UHFFFAOYSA-N", "SMILES:Cn1c(C2CCCN2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOOEFAGIAORMX-SFHVURJKSA-N", "SMILES:Cc1cccc(CCN(C)C[C@H](O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHWMYJSMCLKAGA-UHFFFAOYSA-N", "SMILES:CNCc1nc2ccccc2n1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOWRKDSQAPWGQE-SECBINFHSA-N", "SMILES:c1ccc2c(c1)nnn2C[C@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145089", "category": ["biolink:ChemicalEntity"], "name": "RNORDEPRENYL", "xref": ["InChIKey:UUFAJPMQSFXDFR-LLVKDONJSA-N", "SMILES:C#CCN[C@H](C)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3769622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOERTRUXQHDLHC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CN(C)C)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3769573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIMGIDUCFQYYGM-GOSISDBHSA-N", "SMILES:CN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVXHFNUQCWBPC-JTQLQIEISA-N", "SMILES:C[C@@H](CNCCO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1320263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBGCZMGFODIOGS-UHFFFAOYSA-N", "SMILES:CCC(=O)/N=C(\\N)Nc1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL294703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNBPLWRIVTCIZ-UHFFFAOYSA-N", "SMILES:N=C(N)c1cccc(COc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYUDRCDVDXULZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(CNCc2ccc(Cn3cncn3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTOBVMSNNMKDMT-OAHLLOKOSA-N", "SMILES:C=CCn1cc(CN[C@H](C)Cn2ccc3ccccc32)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNZLDSHPYQPXMZ-GXDHUFHOSA-N", "SMILES:N=C(N)N/N=C1\\CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVOTVFJGJNOFSN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(Br)cc1)Cc1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHJECUEOVDFCA-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(CCNCc3cnn(-c4ccccc4)c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBGNWWJANJWNY-UHFFFAOYSA-N", "SMILES:CCCOc1ccn2c(C(C)=O)cc(-c3cccc(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUWGLUCNBMGPS-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNVIUMWNYXDULF-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1996518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZXDNGVQRDTJSD-FOWTUZBSSA-N", "SMILES:CCCCCC1=C/C(=C\\c2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3769730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCPCFYGYPLEBJR-SSDOTTSWSA-N", "SMILES:CCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKVMLYXGYADGPQ-ZCFIWIBFSA-N", "SMILES:C[C@@H](NC(=O)OCC(F)(F)Cl)c1nc2ccc(F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYNWZJBUTQJPDY-ZCFIWIBFSA-N", "SMILES:C[C@@H](NC(=O)OCC(F)(F)C(F)F)c1nc2ccc(F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKMKWDVUTHKNMU-UHFFFAOYSA-N", "SMILES:Oc1cc2cccccc-2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMBLZBIWJWFQMD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c2cccccc-2c(C(=O)OCC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPIFNIFSFBJRBV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(O)cc2cccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFYMOIQAUCHSA-MUUNZHRXSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTULCETYIBZDAH-GDLZYMKVSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCJOARWJFBIRKK-MUUNZHRXSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccccc3Br)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMJKALQYLMCAR-GDLZYMKVSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQBLAJKPJTHLI-SSEXGKCCSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQLOLQPXCFNBCX-WJOKGBTCSA-N", "SMILES:Cc1ccc(C2CCN(C(=O)N[C@H](Cc3cc(C)c4[nH]ncc4c3)C(=O)N3CCC(N4CCCCC4)CC3)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJRDKTXYUSZIPU-SSEXGKCCSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGUPJMQJNPDQPV-UUWRZZSWSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc4ccccc4c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIIDPSKSRFKLGE-UUWRZZSWSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4cc3Cl)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446790", "category": ["biolink:ChemicalEntity"], "name": "FUKUGETIN", "xref": ["InChIKey:IMIXFUXOSFSXPC-IYIVSNSKSA-N", "SMILES:O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3770394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXWGHNBAGRJJQN-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1ccc(C(F)(F)F)nc1NS(=O)(=O)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIKRJPFIMNQSSL-UYYLYVBRSA-N", "SMILES:C[C@]12CC[C@H](OC(=O)[C@H]3CCCN3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)c3nnsc3C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCPYGYYERXQFSF-QFIPXVFZSA-N", "SMILES:COC(=O)C[C@@H]1N=C(c2ccc(-c3cccc(C#N)c3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVAHZDKTBKKNHV-UHFFFAOYSA-N", "SMILES:C1=CN2CC(c3cc4ccccc4o3)N=C2S1"]}
{"name": "Alkaline phosphatase, tissue-nonspecific isozyme", "xref": ["CHEMBL.TARGET:CHEMBL5979"], "id": "UniProtKB:P05186", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCIEMZSVLKCDP-AREMUKBSSA-N", "SMILES:Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@](O)(c3cccc(F)c3)c3ccc4[nH]c(C)nc4c3)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATSHHNNFWNWDU-IBGZPJMESA-N", "SMILES:Cc1nc2cc([C@@H](CNC(=O)c3c(Cl)cc(-n4cnc(CO)n4)cc3Cl)c3cccc(F)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVNXUQUIOABXPY-SFHVURJKSA-N", "SMILES:Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3ccc(O)c(F)c3)c3ccc4[nH]c(C)nc4c3)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3627897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HERLNGSHQVSJKT-FQEVSTJZSA-N", "SMILES:Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3ccc4[nH]c(C)nc4c3)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYGDEBHJLKLSP-BZSNNMDCSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKFCQKBGZRHIS-LNLFQRSKSA-N", "SMILES:COC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMOTTQOIGBRCP-FKBYEOEOSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTINRPQDJMJSR-HNCPQSOCSA-N", "SMILES:CS(=O)(=O)O.Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CC[C@@H](N)C1)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTINRPQDJMJSR-PPHPATTJSA-N", "SMILES:CS(=O)(=O)O.Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CC[C@H](N)C1)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZJKGDWWTVTPG-LLVKDONJSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@@H]3CCNC3)c1c2O"]}
{"name": "Delta(24)-sterol reductase", "xref": ["CHEMBL.TARGET:CHEMBL3774292"], "id": "UniProtKB:Q8VCH6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201753", "category": ["biolink:ChemicalEntity"], "name": "PITAVASTATIN", "xref": ["InChIKey:VGYFMXBACGZSIL-MCBHFWOFSA-N", "SMILES:O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1"], "synonym": ["Pitavastatin", "Pitavastatin", "Pitavastatine", "Pitavastatina", "Pitavastatin", "Pitavastatin", "NSC-760423", "Pitavastatin component of k-924  pivastatin"], "chembl_availability_type": "prescription only"}
{"name": "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase", "xref": ["CHEMBL.TARGET:CHEMBL3774293"], "id": "UniProtKB:P70245", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301327", "category": ["biolink:ChemicalEntity"], "name": "LEVORMELOXIFENE", "xref": ["InChIKey:XZEUAXYWNKYKPL-WDYNHAJCSA-N", "SMILES:COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1"], "synonym": ["Levormeloxifene", "Centchroman (-)-form", "(-)-centchroman", "L-centchroman"]}
{"name": "Lanosterol 14-alpha demethylase", "xref": ["CHEMBL.TARGET:CHEMBL3774294"], "id": "UniProtKB:Q8K0C4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190044", "category": ["biolink:ChemicalEntity"], "name": "TRIMEBUTINE", "xref": ["InChIKey:LORDFXWUHHSAQU-UHFFFAOYSA-N", "SMILES:CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C"], "synonym": ["Trimebutine", "Trimebutine", "Trimebutina", "Trimebutine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3775420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGSLSWLRCOWML-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNc1ccc(O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460", "category": ["biolink:ChemicalEntity"], "name": "MOLINDONE", "xref": ["InChIKey:KLPWJLBORRMFGK-UHFFFAOYSA-N", "SMILES:CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2"], "synonym": ["Molindone", "Molindone", "Molindone", "Molindona", "Molindone", "Molindone", "Spn-810"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3775171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBBCTUPHDHVRX-AQFIFDHZSA-N", "SMILES:CC(/C=C/c1c(C)cc(C)c(C)c1C)=C\\C=C\\C(C)=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL327745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPBHAAYNPPRRA-WMZHIEFXSA-N", "SMILES:CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL808", "category": ["biolink:ChemicalEntity"], "name": "ECONAZOLE", "xref": ["InChIKey:LEZWWPYKPKIXLL-UHFFFAOYSA-N", "SMILES:Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1"], "synonym": ["Econazole", "Econazole", "Econazole", "Econazol", "Econazole", "Econazole", "NSC-187789", "Econazole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "3-hydroxy-3-methylglutaryl-coenzyme A reductase", "xref": ["CHEMBL.TARGET:CHEMBL2764"], "id": "UniProtKB:Q01237", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54440", "category": ["biolink:ChemicalEntity"], "name": "MEVASTATIN", "xref": ["InChIKey:AJLFOPYRIVGYMJ-INTXDZFKSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"], "synonym": ["Mevastatin", "Mevastatine", "Mevastatina", "Compactin", "CS-500", "CS500", "L-637312", "L637312", "ML-236B LACTONE", "ML236B LACTONE", "NSC-281245", "NSC-759322", "NSC281245"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4299285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMJLSAUNCMLHID-MLXOXCNGSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](CCCNN)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@H](CC(=O)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQZTZVYBPBKUJX-BMUXZJBDSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](CCCONC(=N)N)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDXJTIZAGJGDNQ-JGFKBXGXSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](CCCONC(=N)N)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccn2)CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDIQCZIJLNLQL-GTBTXRJPSA-N", "SMILES:CONC(=N)NCCC[C@H](NC(=O)N1CCN(C)CC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLEWMVFPHVWAGF-JEDGLQCNSA-N", "SMILES:CONC(=N)NCCC[C@H](NC(=O)N1CCN(C)CC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccn1)CCc1ccccc1"]}
{"name": "Cysteine proteinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3774301"], "id": "UniProtKB:Q01957", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:294381"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDOWMJLHCGQODE-JGFKBXGXSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccn2)CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEMMPKXTCFGEAN-UHFFFAOYSA-N", "SMILES:CC(O)CNc1nc(NCc2ccc(-c3ccccn3)cc2)c2[nH]nc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTOZLXJMIAVMAQ-MEVDHSCASA-J", "SMILES:CC(C)=CCC/C(C)=C/CCn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQNZDHZPYKQMW-UHFFFAOYSA-N", "SMILES:CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(NCC(C)(C)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOAWOYVJVKOWMX-MXVIHJGJSA-N", "SMILES:CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOCBJBNQIQQQGT-LJQANCHMSA-N", "SMILES:CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3775509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSJNPCGOHGBCY-UHFFFAOYSA-N", "SMILES:CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAOZNWQIDDSLHQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(C)cc(=O)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJTKZAIXTKZSBU-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(C)c2cc(NS(C)(=O)=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSDVQOOEYCWQS-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(Cl)c5)CC4)cn3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGXTZWQHXILQG-VAWYXSNFSA-N", "SMILES:O=C(/C=C/c1c(-c2ccccc2)no[n+]1[O-])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFSBJQYJSJBTG-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1c(-c2ccccc2)no[n+]1[O-])c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDSCLLVUDJDLV-LBNPDIFZSA-N", "SMILES:COc1cc(OC)cc([C@@H]2CC(=O)N(Cc3ccc(OC)c(OC)c3)[C@H](c3ccc(O)cc3)[C@H]2[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIIXFTDSRRAVDS-UHFFFAOYSA-N", "SMILES:Cc1cnc(N)nc1OCC(C)(C)C"]}
{"name": "Oxidized purine nucleoside triphosphate hydrolase", "xref": ["CHEMBL.TARGET:CHEMBL3708265"], "id": "UniProtKB:P36639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDLEEOLOILXMG-UHFFFAOYSA-N", "SMILES:Cc1cnc(N)nc1OCC(C)(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URWCXPXBBITYLR-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3782004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMYJIOQIAEYQL-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFFXOUFDPVQSKE-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAKCXGDNXZOYKE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2C(=O)c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGQQZQBYFGKRE-UHFFFAOYSA-N", "SMILES:Cc1c2cnccc2cc2c1c1ccccc1n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABLCIRFOALJFEI-UHFFFAOYSA-M", "SMILES:Cc1c2c[n+](C)ccc2cc2c1c1ccccc1n2C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMFPDCIAWSZFR-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGYBIQMXQUAQG-QYXBEELJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCONC(=N)N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JODJMUTVWMCNLD-XCUOUWGKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOSMCIZMLWJML-MOZXWMAFSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1C2CC[C@]2(C)C(c3cccnc3)=CCC12"], "chembl_natural_product": true}
{"name": "Steroid 17-alpha-hydroxylase/17,20 lyase", "xref": ["CHEMBL.TARGET:CHEMBL3779754"], "id": "UniProtKB:Q2XVA1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9541"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBUDPAODBSFABA-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NNC(c3ccccc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTBIRNHZSSTSFR-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(=O)c3ccccc3)C(c3ccccc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWLVJRVAOJQKR-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(=S)Nc3ccccc3)C(c3ccccc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGNSUSGEAURXIR-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(c3ccccc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLSQVZEGAIHJB-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(=O)Oc3ccccc3)C(c3ccccc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDDGSNZABYDPQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1N=C(c2ccc(O)c(OC)c2)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJDXQUNBLNXMY-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(c3ccccc3)C(c3ccccc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLTDIGPOGIZQFI-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(C)=O)C(c3ccccc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKNINFLENOGKP-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(N)=S)C(c3ccccc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQCOKONYBENGO-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(=N)N)C(c3ccccc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHDCMZITFQXRE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(=O)[nH]c1N"]}
{"name": "E3 ubiquitin-protein ligase UHRF1", "xref": ["CHEMBL.TARGET:CHEMBL2424510"], "id": "UniProtKB:Q96T88", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNYDWEIQSDFDLK-UHFFFAOYSA-N", "SMILES:CC(=O)c1c[nH]c(=O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2008844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMFQVIVSVILMKK-UHFFFAOYSA-N", "SMILES:c1ccc2c(C3CCN(CCN4CCOCC4)C3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQVZDTWRGIHYCU-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJYJQMSFALWBX-UHFFFAOYSA-N", "SMILES:CN(C)c1c[nH]c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXSDLQLNIVFIJI-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJTIGGCBXFIZJV-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWKPGVACBGLMCU-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOSGCJDQXDSAQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)c3c(Nc4ccnc(N)n4)cc[nH]c3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJLXUYMIRXRMJ-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC)c(Cl)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCNDXYHWLSHXMV-UHFFFAOYSA-N", "SMILES:NCCN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMDKVNSQXPVCRD-RQNOJGIXSA-N", "SMILES:CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@H](OCCC3CCOCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BULDGUXDZDZVRS-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1-c1ccc(OC(=O)N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONDWEOWBXKUUGB-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccc(OC(=O)N(C)C)cc2)c(=O)ccn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXHUAQFMQWIMBW-SVANQLSFSA-N", "SMILES:CC1(C)C2CC[C@@](C)(C2)C1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUWBZFDKMJYGN-QMNWOKLKSA-N", "SMILES:CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1nn(-c3ccc(Cl)cc3Cl)c3c1Cc1cc(C4CC4)ccc1-3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETMMCIOZHJPQM-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(C3CC3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKJZPLMZXLJTCF-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)cc1)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCIDZOGXCAZSLE-UHFFFAOYSA-N", "SMILES:CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEIQSAXXWHREFS-UHFFFAOYSA-N", "SMILES:CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYRBSHCBPPWIIQ-UHFFFAOYSA-N", "SMILES:CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKQGOCSPOANLZ-UHFFFAOYSA-N", "SMILES:CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBIGXUHWEVECBJ-UHFFFAOYSA-N", "SMILES:CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWQXRRKNTZPHY-UHFFFAOYSA-N", "SMILES:CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3779912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDCWBKBCOONBOQ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQZILHANXWXTIW-UHFFFAOYSA-N", "SMILES:OCc1cncn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGGDCEFWAMGBOB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLCQPJLSFPJMX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLQXDBMZJCGEFR-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cnc(N)s2)c2ccccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1337471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYSYHCDITGMJMX-UHFFFAOYSA-N", "SMILES:CC1Cc2c([nH]c3ccccc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDOBVFESNNYEE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2cc[nH]c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3785379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRIROGBLGLPXQI-FGZHOGPDSA-N", "SMILES:O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIRQZJVPSPDAQB-MYRVBJLKSA-N", "SMILES:CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NC2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYOKLTXINQADRA-GHDQKHCPSA-N", "SMILES:CCOC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOAXZARAIUMPNY-HVBBLLJDSA-N", "SMILES:CC1(C)CC[C@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)OC(C)(C)[C@@H]5CC[C@]43C)C23OC13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGKMKULXFZOUPF-XRGYSQAUSA-N", "SMILES:COC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3786595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYLITRDEAEYTJ-GJZVSPAWSA-N", "SMILES:CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC6(OCCO6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDQCSWXAINACE-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nc(Nc2ccccc2OC)nc(C(=O)NNc2ccccc2)n1"]}
{"name": "Ubiquitin-conjugating enzyme E2 B", "xref": ["CHEMBL.TARGET:CHEMBL3784907"], "id": "UniProtKB:P63146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLMJQSJGJBYRKP-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(C(=O)NNc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPCGEOGNIHJPO-UHFFFAOYSA-N", "SMILES:O=C(NNc1ccccc1)c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRDZFQRNJTKHL-UHFFFAOYSA-N", "SMILES:Nc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2)nc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNZRXGXJGABLQ-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(N)nc(Nc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISXRSLZVRSBNAZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(C(=O)NNc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARXKYAICXTUFH-UHFFFAOYSA-N", "SMILES:O=C(NNc1ccccc1)c1nc(Nc2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYIRYVNOWSTREY-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nc(N)nc(C(=O)NN)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSMKDVSHCUDMF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(C(=O)NN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SODDJUPUYKJRRZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(N)nc(C(=O)NN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVWCLBRJCPCKSF-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(N)nc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZLXGJFHSLQCPV-UHFFFAOYSA-N", "SMILES:C#CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNHDWIIIOWNKM-PBHICJAKSA-N", "SMILES:C#CCCn1cc(Nc2nc(OC[C@H]3CN(C(=O)C=C)C[C@@H]3OC)c3c(Cl)c[nH]c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLHRQBBWPLGBM-HYYZRNKASA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Cn1nnc(COCCOCCOCCOCCOCCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1[125I])C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJJZSIIPXTZFD-XVRIZNHYSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Cn1cc([125I])nn1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3323509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWDJYEJRZVMWMH-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCNC2CCCC(N3CCCC3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3323522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWAPTMRQKYOSC-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCC(O)C3)CCCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJFOWHZFIILTBD-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)C2CCCC(N3CCCC3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFCHIEDCTWPVCJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)C2CCCC(N3CCC(O)C3)C21"]}
{"name": "Sterol regulatory element-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL1795166"], "id": "UniProtKB:Q12772", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYQALOWPCKMFDQ-JLNKQSITSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCNC(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXYDHMNSOMERHU-UHFFFAOYSA-N", "SMILES:CC(C)CCON=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGUJRUNBIMFEND-UHFFFAOYSA-N", "SMILES:C=CCCCON=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCOGUMRBXZRJW-UHFFFAOYSA-N", "SMILES:CCCCON=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEJMVKXBNSIJTA-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)N1N=C(c2ccccc2)CC1c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTDYVSIBWGVBKU-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASJSNJHBCFJPLQ-PBQOOFGUSA-N", "SMILES:COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)[C@H]5O[C@@]5(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTYJVMZQNRUIU-KPKJPENVSA-N", "SMILES:CC1(C)CCC(C)(C)c2cc(C3(c4ccc(/C=C/C(=O)O)cc4)OCCO3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOBZKCODPZKVDD-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(C)(C)c2cc(C3(c4ccc(CCC(=O)O)cc4)OCCO3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOUMKQOYHWVXDO-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(C)(C)c2cc(C3(c4ccc(CCC(=O)O)cc4)SCCS3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNNUSMGZUFNNHO-VYTBREFCSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1cn(CC(O)Cn2cc(/C=C3\\C(=O)Nc4ccccc43)c3ccccc32)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSWVADAJIFHTLV-UHNVWZDZSA-N", "SMILES:N[C@@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSHZTNHTMTQFY-PDJPSNROSA-N", "SMILES:N[C@@H](C[C@]1(C(=O)O)C[C@@H]1C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSHZTNHTMTQFY-MSIVUJLLSA-N", "SMILES:N[C@@H](C[C@]1(C(=O)O)C[C@H]1C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZQIIDMOBLTPZ-MKICQXMISA-N", "SMILES:COc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZHSESNQIMXMZ-UHFFFAOYSA-N", "SMILES:COc1cccc(CO)c1O"]}
{"name": "Basic phospholipase A2 VRV-PL-VIIIa", "xref": ["CHEMBL.TARGET:CHEMBL3784910"], "id": "UniProtKB:P59071", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8707"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTDUWQNEJCZMGU-JHHSWLMSSA-N", "SMILES:O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[3H]CC([3H])C(=O)NCCCCNC(=O)/N=C(\\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYZKSNAHCIZXTQ-NQBMRXLMSA-N", "SMILES:O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[3H]CC([3H])C(=O)NCCCCNC(=O)/N=C(\\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVNTWMFLPUYMF-UHFFFAOYSA-N", "SMILES:c1ccc2c(CNCCc3c[nH]c4ccccc34)cccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3787338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZKIPXSBBKVHLW-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNCCc2cn(Cc3ccc(-c4ccccc4)cc3)c3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZHVZVLFPFEPQR-UHFFFAOYSA-N", "SMILES:Cn1cc(CCNCCc2ccc(-c3ccccc3)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDSRVASSPWRFV-UHFFFAOYSA-N", "SMILES:Cn1cc(CCNCc2ccc(Cl)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCDWXGZKZGTKC-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCCc2cn(C)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTJSXZMZJOFXBE-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(CNCCc3c[nH]c4ccccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYVXUYYKPCZNJ-UHFFFAOYSA-N", "SMILES:Cc1c2ccccc2c(CNCCc2c[nH]c3ccccc23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTJIBJOFWMMTGZ-UHFFFAOYSA-N", "SMILES:Oc1ccc2ccccc2c1CNCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACROMYMRAOJPKX-UHFFFAOYSA-N", "SMILES:COc1ccc2ccccc2c1CNCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENLDTNTZNBQCK-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCCC2CNCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPQXULVNJPNTCK-UHFFFAOYSA-N", "SMILES:CN(CCc1cn(C)c2ccccc12)Cc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEWPMAKQEUSKPV-UHFFFAOYSA-N", "SMILES:c1ccc(CN(CCc2c[nH]c3ccccc23)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKPWJYZAVFZQCZ-GPOMZPHUSA-N", "SMILES:O=C1CC2(CCCC2)CC(=O)N[C@H](Cc2ccc(NC(=O)[C@H](Cc3ccccc3Cl)NC(=O)Cc3cccc(O)c3)cc2)C(=O)NCCOCCOCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAXTBQESDOEOM-XFQWPLCWSA-N", "SMILES:O=C1CNC(=O)[C@@H](Cc2ccc(NC(=O)[C@H](Cc3ccccc3Cl)NC(=O)Cc3ccccc3)cc2)NC(=O)CC2(CCCC2)CC(=O)N[C@H](C(=O)O)CCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSTNEKZTSOZTDI-GPOMZPHUSA-N", "SMILES:O=C1CNC(=O)[C@@H](Cc2ccc(NC(=O)[C@H](Cc3ccccc3Cl)NC(=O)Cc3ccccc3)cc2)NC(=O)CC2(CCCC2)CC(=O)NCCCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNOUWGGQMADIBV-KRWDZBQOSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFOASANNBDTFF-CCEZHUSRSA-N", "SMILES:CCN(CCCCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKDLORMZNPQILV-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXHZVHYFQSELL-UHFFFAOYSA-N", "SMILES:CCOP(=O)(CCO)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEHJHHHUIGULEI-UHFFFAOYSA-N", "SMILES:O=P(O)(O)CCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3785872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJWXRQUITKSDPA-UHFFFAOYSA-N", "SMILES:CCOP(=O)(O)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNTWFPENWVBQI-KRWDZBQOSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2cc(Cc3cccc(C4(C(F)(F)F)N=N4)c3)[nH]n2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDIZJFULUPVLJ-SFHVURJKSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)CCc2cc(C3(C(F)(F)F)N=N3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZATLHAZWNQJH-YDAXCOIMSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVAKWTBISFVYTO-NSHDSACASA-N", "SMILES:NCc1cccc(Cn2nnc(-c3onc(O)c3C[C@H](N)C(=O)O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCWJJAEVUVZKZ-LBPRGKRZSA-N", "SMILES:CNCc1cccc(Cn2nnc(-c3onc(O)c3C[C@H](N)C(=O)O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYQXJHGHVRNDY-ZDUSSCGKSA-N", "SMILES:CCNCc1cccc(Cn2nnc(-c3onc(O)c3C[C@H](N)C(=O)O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPPVZLNOSGWIY-AWEZNQCLSA-N", "SMILES:CC(C)NCc1cccc(Cn2nnc(-c3onc(O)c3C[C@H](N)C(=O)O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL245412", "category": ["biolink:ChemicalEntity"], "name": "ZERUMBONE", "xref": ["InChIKey:GIHNTRQPEMKFKO-SKTNYSRSSA-N", "SMILES:C/C1=C\\CC(C)(C)/C=C/C(=O)/C(C)=C/CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3793603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLJLSNLSXOZRQP-URXFXBBRSA-N", "SMILES:COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)NC2(C(N)=O)CCCC2)C2CCCCC2)cc(OC)c1OC"]}
{"name": "Peptidyl-prolyl cis-trans isomerase FKBP5", "xref": ["CHEMBL.TARGET:CHEMBL3792270"], "id": "UniProtKB:Q64378", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTOKBTYOQNHLSM-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCCCCCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVAUUDESUCNAY-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc(F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHGXIRHZAWPMOK-UHFFFAOYSA-N", "SMILES:CCc1ccc(CNc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWEUROYORCGPOF-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXSWHUQNCXFYSK-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc(OC)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLNXYLGLPDSOI-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccccc3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3794153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXBIQCFIQYXGT-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3cccc(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVELDATVCOGLSX-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc(F)c(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLAODSKUAWOLDT-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3cccc(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWSMGKVIXRVBLJ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCNOYZEITZWPA-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccccc3Br)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3794552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVZCVWMBVJQRW-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc(Br)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUPGAGUGJNTUPB-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3cccc(C)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIZHVXZPSMXNA-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc(C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDTYNZNNCMNOZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc(C(C)(C)C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3794204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMVNFYCVQROSZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLKXHKTBWBFJN-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3cccc(C(F)(F)F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZYXUXRMLPRDP-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc(C(F)(F)F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKZFNVKOQDBZCL-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSCDVEXWQKPSFK-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc4c(c3)OCO4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3794080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGDCJACBAETMN-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3cc(OC)c(OC)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3794282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZWXFDWUKARJV-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc(OC(F)F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMBFMLLVOOLHAX-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3ccc(OC)c(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRKBIAKCDKIOF-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3cc(F)c(OC)c(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJCSFCPRVFVTP-QFIPXVFZSA-N", "SMILES:CCc1c2c(nc3ccc(B(O)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQFMRZDTVXICG-JQIJEIRASA-N", "SMILES:CCN(CCCCCCNC(=O)/C=C/c1ccc(O)c(OC)c1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBNSBYDKIQVUOF-ANTJICMESA-N", "SMILES:CC(=O)O.COc1ccc(NC(C)=O)cc1C(=O)NNC(=O)[C@H](CCCCN)NC(=O)CCOC[C@H]1OC(OCCCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZXCXGUNDBDRFO-FLWFWVHVSA-N", "SMILES:COc1ccc(NC(C)=O)cc1C(=O)NNC(=O)[C@H](CCCCN)NC(=O)CCOC[C@H]1O[C@@H](OCCCNC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZXCXGUNDBDRFO-UUYZFEFCSA-N", "SMILES:COc1ccc(NC(C)=O)cc1C(=O)NNC(=O)[C@H](CCCCN)NC(=O)CCOC[C@H]1OC(OCCCNC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZBCRSXQXJUSO-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMBIBHLZLVLFX-UHFFFAOYSA-N", "SMILES:Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRMXPZIOPNPPCX-JDWGSQHISA-N", "SMILES:Cc1[nH]c2ccccc2c1/C=C/c1ccccc1-c1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPHGQQXLLBUDCN-JCMHNJIXSA-N", "SMILES:C#CCNC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1"]}
{"name": "Heterogeneous nuclear ribonucleoprotein H", "xref": ["CHEMBL.TARGET:CHEMBL3797013"], "id": "UniProtKB:P31943", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCODPBULYIQNP-SIPQWXIPSA-N", "SMILES:CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)n1cc(COCCCCCCCCCCCCOCCCCCCOCc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHAQRGJXMIVPR-MKADWPIHSA-N", "SMILES:CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)n1cc(COCCCCCCCCCCCCOCCCCOCc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LACMUKRBDRISHX-JLHYYAGUSA-N", "SMILES:COC1Oc2ccc(C)cc2C(=O)/C1=C\\Nc1ccccc1S(N)(=O)=O"]}
{"name": "Alkaline phosphatase, tissue-nonspecific isozyme", "xref": ["CHEMBL.TARGET:CHEMBL2406894"], "id": "UniProtKB:P09487", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYSHMMQVBJOBQL-GXDHUFHOSA-N", "SMILES:COC1Oc2ccccc2C(=O)/C1=C\\Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCYSNJANGIWNSL-LFIBNONCSA-N", "SMILES:CC(C)OC1Oc2ccccc2C(=O)/C1=C\\Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWWNLANJFIBNO-NTEUORMPSA-N", "SMILES:CCOC1Oc2c(Br)cc(Br)cc2C(=O)/C1=C\\Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCMFTUJIRAAZFF-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN6CCCCC6C5)ccc34)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFYXDRMKJAGFX-UHFFFAOYSA-N", "SMILES:CNc1c(F)c(S(N)(=O)=O)c(F)c(F)c1S(=O)(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPIFWBRFVJTMY-UHFFFAOYSA-N", "SMILES:CCCSc1c(F)c(F)c(S(N)(=O)=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFJHOCIYNHEFY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDUPRNCZCQKOG-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(F)c(S(N)(=O)=O)c(F)c(F)c1S(=O)(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJGOYWHNZTVYMI-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)c1c(F)c(F)c(S(N)(=O)=O)c(F)c1NC1CCCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHWJJLARFHTQI-UHFFFAOYSA-N", "SMILES:CCCSc1c(F)c(F)c(S(N)(=O)=O)c(NC2CCCCCCC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYHWYOLLASBNRO-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(C)cc1-c1nc2cc(Br)cnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZZHJPXIOTLEV-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccccc1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDWUGPSWQZHIER-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXMLHVPEUCNBI-VRRHEOGASA-N", "SMILES:C=C1OC(=O)C2(C1=O)[C@H](/C=C/C=C/CCC)C=C[C@@H](O)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3797706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGGDUGIJPHCLIV-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)OCC(=O)Nc2c3c(nc4ccccc24)CCCC3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYFDPIXHKLCDIY-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)OCC(=O)Nc2c3c(nc4ccccc24)CCCC3)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGVSJOHBWPEWKW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2SC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3699588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGAQRNSVMXWHB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464006", "category": ["biolink:ChemicalEntity"], "name": "MORUSIN", "xref": ["InChIKey:XFFOMNJIDRDDLQ-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3797601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDKCMJIQPHNPE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)sc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQEJWZGYFBXKIF-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cnc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFCHNZEXNPWHH-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnn(C(CC(N)=O)C3CCCCC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZYTHPKLNRXBR-UHFFFAOYSA-N", "SMILES:NC(=O)CC(C1CCCCC1)n1cc(Nc2ncc(Cl)c(Nc3ccc(Cl)cc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPKZAXMPADQPAB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(Br)=NO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTNWPFYLRFWOKZ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Oc1ccc(NC(=O)C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTGJWPVBMVDJQ-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVOSJLYBAGTZHD-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPQFASYJHPSAIH-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZEFKEBHHQDKJI-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANARLBVDCTXGB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGAPVWITXJPENZ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWNEVQVVZQISY-NRFANRHFSA-N", "SMILES:O=C1Nc2ccc(Br)cc2[C@]12ON=C(c1cccc(Cl)c1)N2c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3645258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEWOKKRACQOIMW-IWWXRALLSA-N", "SMILES:COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3645257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOQKRHTKLWNAZ-FQLXRVMXSA-N", "SMILES:COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFFGKVUDXGNQIY-ROJLCIKYSA-N", "SMILES:COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2=CCCCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOYZCPFUUADKG-FIRIVFDPSA-N", "SMILES:COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDUYYVYSUSRUMY-ROJLCIKYSA-N", "SMILES:COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3645256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSONUCZBHLAKQ-ROJLCIKYSA-N", "SMILES:COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3645255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFNRSBOROBEJIW-CZNDPXEESA-N", "SMILES:COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTRKMSFTVOWMP-UHFFFAOYSA-N", "SMILES:CCCCc1cc(-c2ccccc2)cc(C(=O)NC2CCCCCC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUPVTLMSTWBDHH-UHFFFAOYSA-N", "SMILES:CCCCc1cc(-c2ccc(F)cc2)cc(C(=O)NC2CCCCCC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPKWJGIAHBJWCT-UHFFFAOYSA-N", "SMILES:COc1c(Cc2ccc(F)cc2)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBWANSOKWDCRQK-UHFFFAOYSA-N", "SMILES:COc1c(Cc2ccc(F)cc2)cc(-c2ccc(F)cc2)cc1C(=O)NC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMXFSNYNCBHGR-UHFFFAOYSA-N", "SMILES:COc1c(Cc2ccccc2)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTXCDDTPKHQGU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(Cc3ccc(F)cc3)c(OC)c(C(=O)NC3CCCCCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCVALLHOYGUPQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)c(OC)c(C(=O)NC3CCCCCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKMGZUWZQPKSFY-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(O)c(-c2ccc(OCCCC)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODWDFPJIMBBBFF-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(OCCCC)c(-c2ccc(OCCCC)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPRLTRMNRVCLQ-UHFFFAOYSA-N", "SMILES:COc1c(C)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVLJMPBNVQXYEL-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(OC)c(-c2ccc(O)c(CC=C)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL89828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDCJELDNRAWYTE-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(OC)c(-c2ccc(OC)c(CC=C)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL89700", "category": ["biolink:ChemicalEntity"], "name": "METHYLHONOKIOL", "xref": ["InChIKey:OQFHJKZVOALSPV-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(O)c(-c2ccc(OC)c(CC=C)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3798429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANELTGAQKGOARV-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(OCCCC)c(-c2ccc(O)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFLFWXBYLDXYNM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc3c(NCCN4CCOCC4)cccn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKHVXGHZYHVJA-XNTDXEJSSA-N", "SMILES:COc1ccc(/C=N/Nc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYDZJUZEIJKDB-RQZCQDPDSA-N", "SMILES:COc1ccc(/C=N/Nc2ncccc2Cl)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHNMZKWPTHRCPU-VCHYOVAHSA-N", "SMILES:COc1ccc(/C=N/Nc2nc(C)cc(C)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AURZBIHBRMLGIC-WGOQTCKBSA-N", "SMILES:COc1ccc(/C=N/Nc2nc3c(c(-c4ccccc4)c2C#N)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVCSDVOYZWPHT-XDHOZWIPSA-N", "SMILES:COc1ccc(/C=N/Nc2cc(C)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1892026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHPDVLGPQNUBP-XDHOZWIPSA-N", "SMILES:C/C(=N\\Nc1ccc2ccccc2n1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVAYXXJFBXMYNZ-WOJGMQOQSA-N", "SMILES:Cc1cc(N/N=C/c2ccc(O)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSRLKVPNDGGLCH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(c3ncnc4[nH]c5c(c34)CCCC5)CC2)c1"]}
{"name": "Serine/threonine-protein kinase SIK2", "xref": ["CHEMBL.TARGET:CHEMBL5699"], "id": "UniProtKB:Q9H0K1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4299613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFICBIFYDKHWLX-JIZCWQKLSA-N", "SMILES:CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](N)CCCCNC(=O)COCCOCCNC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](C)NC)C2CCCCC2)C(c2ccccc2)c2ccccc2)CSSC[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4299617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQGKQFWXYTRNT-IMBFIUQGSA-N", "SMILES:CC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](N)CCCCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](C)NC)C2CCCCC2)C(c2ccccc2)c2ccccc2)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4299605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWUSRYSEZXQBO-VWYHEQQNSA-N", "SMILES:CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](C)NC)C2CCCCC2)C(c2ccccc2)c2ccccc2)CSSC[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLCXEZHTYBKNZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)cc1"]}
{"name": "DNA damage-inducible transcript 3 protein", "xref": ["CHEMBL.TARGET:CHEMBL3797018"], "id": "UniProtKB:Q62857", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "DNA damage-inducible transcript 3 protein", "xref": ["CHEMBL.TARGET:CHEMBL2146304"], "id": "UniProtKB:P35639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXRQNGNCCWMHBD-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2cccnc2)[nH]n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMMSWQSSUYVMCR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(=O)Nc2c(C(=O)O)nn(-c3ccc(Oc4ccccc4)cc3)c2-c2ccc(OC(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTMKXWQYPQYCSC-ISLYRVAYSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1cccc(CNC(=O)c2cccc(-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIJQKFPGBBEJNF-KBPBESRZSA-N", "SMILES:C=C1C=C[C@H]([C@@H](C)CC(=O)C=C(C)C)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3798422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMIQNSSHYBJKIL-ZDUSSCGKSA-N", "SMILES:CC(C)=CC(=O)C[C@H](C)C1=CC=C(C)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3798957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYOPIANRZHZKR-XNTDXEJSSA-N", "SMILES:COC(=O)/C(=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJAWBUCODUVBSE-GJZGRUSLSA-N", "SMILES:Cn1c(=O)n(CC(C)(C)C)c2ccc(N3C[C@@H]4CC[C@H]3CN4C(=O)c3ccon3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWHQFQGJSWFQRZ-YDYNHKSESA-N", "SMILES:CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCCC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXKRKAPYWMXER-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3804872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIYQDMHJUHUDDN-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3804967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APOSPQWHQSODCD-XCVCLJGOSA-N", "SMILES:CN(C)c1ncc(/C=C2\\COc3cc(Cl)cc(Cl)c3C2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXONXPHHYCSVLK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCNCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOKZPENNVMUMHL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZLYDNVAYWZLR-HOTGVXAUSA-N", "SMILES:N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZLYDNVAYWZLR-JKSUJKDBSA-N", "SMILES:N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZLYDNVAYWZLR-CVEARBPZSA-N", "SMILES:N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZLYDNVAYWZLR-HZPDHXFCSA-N", "SMILES:N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFMOBDNEHOCRTN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZHXBFCMONNOFF-UHFFFAOYSA-N", "SMILES:NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFILCOSBPIZXHM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEFOEBPJOWAUKA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3804871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYILWWAJXKETIY-UHFFFAOYSA-N", "SMILES:NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFXRUBMUFYKGY-UHFFFAOYSA-N", "SMILES:NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4cccs4)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLKXFOZNHEBSW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(N4CCOCC4)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXALICSPLRPVAX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXEYHLHOLROZNK-BVGQCQFASA-N", "SMILES:O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBHWRKZTEDNOAJ-XDGHFRMESA-N", "SMILES:O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDFRKVDBZHAYRF-HVFGFDBQSA-N", "SMILES:CC(=O)N1CCC[C@@H]2[C@@H](C[C@@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6N(C)C5)C[C@@H]4N3)C[C@H](C)C[C@@H]21"], "chembl_natural_product": true}
{"name": "Acetyl-CoA acetyltransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2616"], "id": "UniProtKB:P24752", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFOXXDDQHXLJM-GBSVEXJQSA-N", "SMILES:C[C@@H]1C[C@H]2C[C@@H]3N[C@H](C[C@H]4C[C@H](C)C[C@H]5NCCC[C@@H]45)CC[C@@H]3[C@@H]3C[C@H]2[C@H](C1)N(C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMWFSXAKXCNWGH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(N)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3327268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBMVGAGRJVYLBD-XYGWBWBKSA-N", "SMILES:CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)CC3c3ccccc3O)SC2=S)c1"]}
{"name": "Endonuclease G, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3804749"], "id": "UniProtKB:Q14249", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3804918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCOYJUYPRXNIH-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2cc(C(=O)NCCCCN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCNVCGGOZIHRLK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCCCN1CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHGWVMBVBUOMQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NCCCCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822872", "category": ["biolink:ChemicalEntity"], "name": "BTZ-043", "xref": ["InChIKey:GTUIRORNXIOHQR-VIFPVBQESA-N", "SMILES:C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1"], "synonym": ["Btz-043", "Bzt043", "BTZ-10526043"]}
{"name": "Decaprenylphosphoryl-beta-D-ribose oxidase", "xref": ["CHEMBL.TARGET:CHEMBL3797019"], "id": "UniProtKB:A0R607", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:246196"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXOYTROLGQRAES-VIFPVBQESA-N", "SMILES:C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(N=[N+]=[N-])c4s3)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPKKARULOOYORW-UHFFFAOYSA-N", "SMILES:O=C1Cn2c(cc3cc(Cl)ccc32)C(=O)N1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4299667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODENZUVWITUBPE-WKRKBPDYSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCSC)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSPGQHLCJMJRRQ-YPIUDCHXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFYSKUQEISSZBM-DONWMXQLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVRRECZJLWLPPP-FOENRREPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C"]}
{"name": "Peptidyl-prolyl cis-trans isomerase F, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3804752"], "id": "UniProtKB:Q99KR7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYSDAMUFZPVEAY-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1454208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPKVELJRWKNQS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)nc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAYAFQMWPVQEEW-SIKLNZKXSA-N", "SMILES:COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WROWPFXXKKYVED-SIKLNZKXSA-N", "SMILES:COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3cccc(Cl)c3)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL435734", "category": ["biolink:ChemicalEntity"], "name": "ARCTIGENIN", "xref": ["InChIKey:NQWVSMVXKMHKTF-JKSUJKDBSA-N", "SMILES:COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2386796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEOFEGDYORZHFE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFHUWXYRCAAZHK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELXDXUOBOULEV-CXUHLZMHSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(Nc3nc(-c4ccc(OC)c(OC)c4)nc4ccccc34)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMWRKDPDPNKJNX-LDADJPATSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(Nc3nc(-c4ccccc4)nc4ccccc34)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPMJULDYABSPQ-NTUHNPAUSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETIIRDYSPAIOH-KPKJPENVSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKMJUAYGJBRSL-VZUCSPMQSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZATXQMZEYYVSP-FMIVXFBMSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccc(Nc3ncnc4cc(OC)c(OC)cc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROCWBTOPJAVZHR-CSKARUKUSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccc(Nc3ncnc4cc(OC)c(OC)cc34)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUOPYQGECFTBJV-PMACEKPBSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKUBDFRBLXMFB-IBGZPJMESA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc(=O)c(O)c[nH]1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKYIYJVEAPMJBU-VFBBEJETSA-N", "SMILES:O=C(/C=C/c1c(C(=O)O)[nH]c2ccc(F)cc12)Nc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"]}
{"name": "Cysteinyl leukotriene receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3808269"], "id": "UniProtKB:Q99JA4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDSYHCOCSCCQZ-CCQVQAEASA-N", "SMILES:COc1cccc2c(/C=C/C(=O)Nc3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3)c(C(=O)O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBLMWQDUODHGD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICWNJPHHWGZMB-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)n(C)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYXEKOSEVUOQH-CXZRMZRFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"name": "Caveolin-1", "xref": ["CHEMBL.TARGET:CHEMBL3808270"], "id": "UniProtKB:Q03135", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APRMKALIDJNCKA-LKXIQLKCSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRXNBDGJUKSDL-UMFIYRSOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRDWLRMKXSEXAC-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCNC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)CC1"]}
{"name": "Serine/threonine-protein kinase toxin HipA", "xref": ["CHEMBL.TARGET:CHEMBL4524022"], "id": "UniProtKB:P23874", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSRJJGXPGLVMBD-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc3nc(-c4ccc(F)cc4)cc(C)n3n2)cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEOLSNTGKAAKB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSUXYGHMEZAHEB-UHFFFAOYSA-N", "SMILES:CCc1ccc(C2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQDUCIOZJEAJB-IBGZPJMESA-N", "SMILES:CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc(-c3ccn[nH]3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL516", "category": ["biolink:ChemicalEntity"], "name": "CYPROHEPTADINE", "xref": ["InChIKey:JJCFRYNCJDLXIK-UHFFFAOYSA-N", "SMILES:CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1"], "synonym": ["Cyproheptadine", "Cyproheptadine", "Ciproheptadina", "Cyproheptadine", "Ciprovit", "Cyproheptadine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Histone-lysine N-methyltransferase SUV39H1", "xref": ["CHEMBL.TARGET:CHEMBL1795118"], "id": "UniProtKB:O43463", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-lysine N-methyltransferase, H3 lysine-79 specific", "xref": ["CHEMBL.TARGET:CHEMBL1795117"], "id": "UniProtKB:Q8TEK3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGRCFOGPIJEESA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(I)cc1F)c1cc(F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXCIDIQQJAYHM-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(F)cc2c(=O)n1-c1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJNVYBSXLKMNE-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ccc(F)c(Cl)c2)c2cc(NC(=O)CCN(C)C)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAZLOIPDUCEQS-UHFFFAOYSA-N", "SMILES:CN(C)CCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL52765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQHULBHKPGOAP-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPJNUSTYUBHFBH-UHFFFAOYSA-N", "SMILES:S=C=Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNWPZCAOOMPEBE-VCHYOVAHSA-N", "SMILES:Cc1ccc(/C=C2/S/C(=N\\c3nc4cc(-c5ccc(Cl)cc5)sc4s3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLOUPUWMQBITON-VCHYOVAHSA-N", "SMILES:COc1ccc(/C=C2/S/C(=N\\c3nc4cc(-c5ccc(Cl)cc5)sc4s3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOPTOFHJYFAKJ-RQZCQDPDSA-N", "SMILES:O=C1N/C(=N/c2nc3cc(-c4ccc(Cl)cc4)sc3s2)S/C1=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNAVXOMFXWNSP-CIAFOILYSA-N", "SMILES:O=C1N/C(=N/c2nc3cc(-c4ccc(Cl)cc4)sc3s2)S/C1=C/c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLFWWGQQNBDVES-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKZQGYAHPSKHM-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCc1cc(CN3CCN(C)CC3)ccc1N2"]}
{"name": "Psychosine receptor", "synonym": ["G-protein coupled receptor 65"], "xref": ["CHEMBL.TARGET:CHEMBL3714081"], "id": "UniProtKB:Q8IYL9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ovarian cancer G-protein coupled receptor 1", "synonym": ["G-protein coupled receptor 68"], "xref": ["CHEMBL.TARGET:CHEMBL3713916"], "id": "UniProtKB:Q15743", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHOWLEQMECNERS-LURJTMIESA-N", "SMILES:CC(C)C[C@H]1CNC(=O)N1"]}
{"name": "Leucine--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL3258"], "id": "UniProtKB:Q9P2J5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQOAHLJDKWZJPD-LURJTMIESA-N", "SMILES:CC(C)C[C@H]1COC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSSPAXIFBTOHY-LURJTMIESA-N", "SMILES:CC(C)C[C@H](N)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3809937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSOCUENMNRUGGP-LURJTMIESA-N", "SMILES:CC(C)C[C@H](N)CNO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFXJLECGYGFJCI-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMWVGHYSNATOB-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL144686", "category": ["biolink:ChemicalEntity"], "name": "HOMOBUTEIN", "xref": ["InChIKey:BWFSBUVPIAIXKJ-QHHAFSJGSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(O)cc2O)ccc1O"], "chembl_natural_product": true}
{"name": "Beta-adrenergic receptor kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3711486"], "id": "UniProtKB:Q99MK8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384073", "category": ["biolink:ChemicalEntity"], "name": "GSK-180736A", "xref": ["InChIKey:HEAIGWIZTYAQTC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUFLCGFYQDRGM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)NCc3c(C)cccc3C)c2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQKIQOVJOGHMP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)NCc3c(F)cccc3F)c2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLMBNKDQXGINRE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)NCc3ccccn3)c2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQJWWWZXJNOLQF-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1CNC(=O)c1cc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL86905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMYWBQIMDSGQP-UHFFFAOYSA-N", "SMILES:O=Cc1coc2ccccc2c1=O"], "chembl_natural_product": true}
{"name": "Metallo-beta-lactamase type 2", "xref": ["CHEMBL.TARGET:CHEMBL1667695"], "id": "UniProtKB:C7C422", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:573"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVBPYXAIIWIQBK-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](Nc2ncnc(N)c2C(=O)c2ccc(Oc3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1456767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXKRESPUSMTEI-FNORWQNLSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccc(O)c(OC)c2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3813974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYJBBFZUPKXCG-VFLNYLIXSA-N", "SMILES:Cc1c(/C=N/N2C=Nc3c([nH]c4ccccc34)C2)c(=O)oc2c3c4c(cc12)CCCN4CCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3815029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSDYWXVFQWCFEU-VMMXZFTCSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@H]43)[C@H]1CC[C@H]2OC1(O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYUIKBAABKQKQ-YKLJGAPNSA-N", "SMILES:c1cc2c(cc1[C@H]1OC[C@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3814092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIGHQMOUQYMHQN-WIIGKZCBSA-N", "SMILES:N[C@@H](COP(=O)(O)O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEFLNNLYGODKPF-WIIGKZCBSA-N", "SMILES:N[C@@H](COP(=O)(O)OC[C@H]1OCCC[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGFIXKGSYLQJL-WIIGKZCBSA-N", "SMILES:N[C@@H](COP(=O)(O)O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSSBBQXJGJPJY-GNSPLJBXSA-N", "SMILES:Cc1ccc(Oc2cccc(COc3ccccc3CCC(=O)OC[C@H]3OCCC[C@H]3OP(=O)(O)OC[C@H](N)C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMYTUSBKLMPQR-WIIGKZCBSA-N", "SMILES:N[C@@H](COP(=O)(O)OC[C@H]1OCCC[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTEJSUMZCQNBPP-GNSPLJBXSA-N", "SMILES:Cc1ccc(Oc2cccc(COc3ccccc3CCC(=O)O[C@@H]3CCCO[C@@H]3COP(=O)(O)OC[C@H](N)C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEVJFWDTRLIRIP-DOEKTCAHSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@H]1OCC=C[C@@H]1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEVJFWDTRLIRIP-WYMJOSIYSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@H]1OCC=C[C@H]1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMRSZRXXMZWJZ-SANMLTNESA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)OCc1ccccc1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKWKJVRGVWBGJM-MHZLTWQESA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)OCc1cccc(OP(=O)(O)OC[C@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMUYRMCGVMTHPK-QVEHQDCFSA-N", "SMILES:COc1ccc(C2=[N+]3C(=C(CCCCc4cn(CCCCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(=N)N)C(=O)CF)C(C)C)nn4)c4ccc(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYZWUQJEJMGCFL-UHFFFAOYSA-N", "SMILES:CN1/C(=C\\C=C\\C=C\\C2=[N+](CCCCCC(=O)NCCOc3nc(-c4ccc(Cl)c(Cl)c4)n(-c4ccc(NC(=O)CCl)cc4)n3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYAMQHYEOXRJA-BBACVFHCSA-N", "SMILES:CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)COC(=O)c3c(C)cccc3C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRJKATLTRNXYCE-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1cc(-c2ccc3c(c2)-c2[nH]c4cc(-c5cn[nH]c5)ccc4c2C3=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBKSQVQKVMUMTO-PTMAMGASSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCCOCCOCCOCCOCCOCCCCCCCl)C(c1ccccc1)c1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTFWCJVFNPRQDO-BVFUWECJSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCCOCCOCCOCCCCCCCl)C(c1ccccc1)c1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQBVOUAPWNCEA-RTOKGZNSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCOCCOCCOCCCCCCCl"]}
{"name": "Cyclic AMP-responsive element-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5587"], "id": "UniProtKB:P16220", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBNSGHFXFQLOW-NGDRWEMDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCOCCOCCCCCCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFVGFBPWZKAYNH-PKTNWEFCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCOCCCCCCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLRZVBGIOTURAQ-ZNZIZOMTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCCCCCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFZOOOCGCNFHAQ-GWOIDVGPSA-N", "SMILES:O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(Oc2c(O)c(O)c(O)c3c2C(=O)O[C@H]2[C@@H]4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)O[C@H]4[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)O[C@@H]2COC(=O)c2cc(O)c(O)c(O)c2-3)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3814608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYULXYQHXDNDEA-CQTCMDFNSA-N", "SMILES:CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(=O)N[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC(=O)O[C@@H]1C)C(C)(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3815164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIFLPTAFWVZMND-WDVBUDRKSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC(=O)O[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4299657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQFVHZLVOYWLEF-AWJZJMGVSA-N", "SMILES:CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC=O)C(=O)N[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@H]1C(=O)N(C)[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CC(N)=O)C(=O)N(C)CC(=O)O[C@@H]1C)C(C)(C)C"], "chembl_natural_product": true}
{"name": "4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)", "xref": ["CHEMBL.TARGET:CHEMBL3813586"], "id": "UniProtKB:O07855", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:426430"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMJCCCZKGYJSIX-BJILWQEISA-N", "SMILES:CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1cccc2ccoc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSUZGGRZFYIPJ-UHFFFAOYSA-N", "SMILES:Cc1nc(Cl)c(NC(=O)C(Cl)Cl)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCGZURXMDQGIFH-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(Cl)ncnc1Cl)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOSGWKQSZFHDKD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYRRDXUXPCRBE-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccc(Br)cc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZJNHQJPOHFTM-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2cccc(Br)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLOSZBYAPVSDK-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccc(Br)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELRMPRLCPFTBH-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVRKXURTIJFBPH-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTZAXXUQNHGQF-UHFFFAOYSA-N", "SMILES:CCn1c(-c2nc(-c3cnn(C4CCN(C)CC4)c3)cnc2N)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWRCRIMPBCLETK-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O"]}
{"name": "Tyrosyl-DNA phosphodiesterase 2", "xref": ["CHEMBL.TARGET:CHEMBL2169736"], "id": "UniProtKB:O95551", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL264425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTXMPQWQSOAIY-UHFFFAOYSA-N", "SMILES:O=C(NC(CSSCC(NC(=O)c1ccccc1)C(=O)O)C(=O)O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3813826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USLVVQDIRKDBSF-HKWRFOASSA-N", "SMILES:N#CCCN(CCC#N)c1ccc(/C=C2\\C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUXORBZRBIOMQ-RUZDIDTESA-N", "SMILES:Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82293", "category": ["biolink:ChemicalEntity"], "name": "PALMITIC ACID", "xref": ["InChIKey:IPCSVZSSVZVIGE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)O"], "synonym": ["Cetyl acid", "Cetylic acid", "N-hexadecanoic acid", "Palmitate", "Palmitic acid", "Prifac-2960", "Pristerene-4934", "EDENOR C 16-98-100", "FEMA NO. 2832", "HYDROFOL ACID 1690", "IMEX C 1498", "KORTACID 1698", "LOXIOL EP 278", "NSC-5030", "Palmitic acid component of lucinactant", "Palmitic acid component of surfaxin", "Palmitic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3814575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCPSZSCIMRYND-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C3CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSKYUARSLCKST-SXGWCWSVSA-N", "SMILES:COc1cc(/C=C2\\Sc3ccccc3C2=O)ccc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTPZXGQXOOAOX-XFFZJAGNSA-N", "SMILES:O=c1/c(=C/c2ccc(I)o2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZXYLDXMKHKPDI-ZBJSNUHESA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(OCCN3CCCC3)cc2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKJDJUCPGVEQHN-RELWKKBWSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2cccc(OCCN3CCCC3)c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZNGMWBSOSQAB-BSYVCWPDSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(OCCN3CCCCC3)cc2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPJJRELPSVANFD-FCDQGJHFSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2cccc(OCCN3CCCCC3)c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMCGRVSMJKYTK-LYBHJNIJSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(Cc3ccccc3)cc2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYROSGVHDZUUFL-LYBHJNIJSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2cccc(Cc3ccccc3)c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLLHBQICIXUZCV-NTCAYCPXSA-N", "SMILES:Cc1ccc(/C=C2\\CCCC(C(=O)c3ccccc3)=C2O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYZXXOMISVGDB-WYMLVPIESA-N", "SMILES:O=C(C1=C(O)/C(=C/c2cccs2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNVSUYLPSASMI-LTGZKZEYSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc3ccccc3c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYXQDHLQFUEPNH-CAPFRKAQSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2cccc3ccccc23)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCSRSYFPEVTDPK-GHRIWEEISA-N", "SMILES:COc1cccc(/C=C2\\CCCC(C(=O)c3ccccc3)=C2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASTZMUOEVBVJT-NBVRZTHBSA-N", "SMILES:Cc1ccc(/C=C2\\CCCC(C(=O)c3ccccc3)=C2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXHEVSPPQZBII-NBVRZTHBSA-N", "SMILES:Cc1cccc(/C=C2\\CCCC(C(=O)c3ccccc3)=C2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKCHXEYUMZCYPR-RVDMUPIBSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(Cl)c(Cl)c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJYOANMGEXUJPU-RVDMUPIBSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(Cl)cc2Cl)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXWXRCKBQDVCN-NTCAYCPXSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2cccc(Cl)c2Cl)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUZTFBFULNRHS-DTQAZKPQSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(Cl)cc2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIRRTPKBOLERKC-RVDMUPIBSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(Br)c(Br)c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFXVZAHZWUGKKR-DTQAZKPQSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(Br)cc2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGSBSZCEDIDSPQ-DTQAZKPQSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccccc2Br)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNRJMULDFZQSL-RVDMUPIBSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(F)c(F)c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOTXOAMIQVQNER-DTQAZKPQSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(F)cc2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNIJDAYNSOHXLN-FOWTUZBSSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2cccc(F)c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXXBUVLSNPPNF-DTQAZKPQSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccccc2F)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXBRROMIYZANBF-RVDMUPIBSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(O)c(O)c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRIXFLRTHIYHRG-RVDMUPIBSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(O)c(Cl)c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHSJIPVTQZIVCH-RVDMUPIBSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(O)c(Br)c2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTXBUPBAYXBEF-UHFFFAOYSA-N", "SMILES:OB(O)c1ccccc1OCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1"]}
{"name": "Hormone-sensitive lipase", "xref": ["CHEMBL.TARGET:CHEMBL3590"], "id": "UniProtKB:Q05469", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBSEBSMHLRBTM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFNBVCUNARPQJ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCCC1)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKGXXXXAQKVRW-UHFFFAOYSA-N", "SMILES:Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQCJWCZBZBVHO-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTRYOBVOOQKFI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVGNWIPGKANMZ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)N(C)C)ccc3c2=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPDBDHCUCQOOTQ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1ccc2c(=O)n(Cc3cccc(NS(=O)(=O)NCCC#N)c3F)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHKBOEWLASAFLW-FJWDNACWSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)CC(O)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPRXDMWLPQHKY-WYDDVLLKSA-N", "SMILES:C=CCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N[C@@H](CS)C(N)=O)C(=O)CN(C(=O)CN(Cc1ccccc1)C(=O)CN(C(=O)CN(Cc1ccccc1)C(=O)CNC1CCCC1)C1CCCC1)[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4299682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTZTEZRVOYDCO-SMYYOSLBSA-N", "SMILES:C=CCN(CC(=O)N(CC(=O)N(CCCN1CCCC1=O)CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N[C@@H](CS)C(N)=O)CC1CCCO1)C(=O)CN(C(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)CNCCCN1CCCC1=O)[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3817971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKRGHRHCRACPH-GBKXKEFLSA-N", "SMILES:C=CCN(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N[C@@H](CS)C(N)=O)[C@H](C)c1ccccc1)C(=O)CN(Cc1ccco1)C(=O)CN(C(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)CNCc1ccccc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEMFAWUXUVGGTE-FCDQGJHFSA-N", "SMILES:CN1CCN(CC(=O)N2N=C3/C(=C/c4ccccc4)CCCC3C2c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVJKLFGWMBSIF-UHFFFAOYSA-N", "SMILES:O=C(NOCCOCCOCCOCCN1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDFSDDKFOSTEEY-UHFFFAOYSA-N", "SMILES:O=C(NOCCNCCCCS(=O)(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWQJWNLNEPZNTO-UHFFFAOYSA-N", "SMILES:O=C(NOCCNCCCCCC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJKRDSCDYRZJJR-UHFFFAOYSA-N", "SMILES:O=C(CNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)NCCCCCC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454566", "category": ["biolink:ChemicalEntity"], "name": "DEGALACTOTIGONIN", "xref": ["InChIKey:BJNQXJIQCPPOHN-NUKVSUKUSA-N", "SMILES:C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL446866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUCHKMAZAWJNBJ-RCYXVVTDSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4299684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXVEGGGELOOPO-DEQSQXQQSA-N", "SMILES:C/C=C/C[C@H](C)[C@@H](OC(=O)CNC(=O)C[C@@H](NC(=S)[C@H](C)N)C(=O)O)[C@@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C"]}
{"name": "Solute carrier family 15 member 1", "xref": ["CHEMBL.TARGET:CHEMBL3509595"], "id": "UniProtKB:P36836", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEZLOEPRFAXEHQ-LJAQVGFWSA-N", "SMILES:CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(C#CCCCNC(=O)[C@@H](N)CCC(N)=O)c4ccccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYOYODWKQFCFL-UMSFTDKQSA-N", "SMILES:CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(C#CCCCOc4ccc(C[C@H](N)C(=O)O)cc4)c4ccccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONZMDLHROVHQSG-MHZLTWQESA-N", "SMILES:CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cnc(NCCCCCNC(=O)[C@@H](N)CCC(N)=O)c4ccccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAUNWXMMLVVCKI-JDXGNMNLSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)O)cc1OCCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3817943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLDZLCHOLPTQB-SMCANUKXSA-N", "SMILES:COc1ccc(C[C@H](N)C(=O)Nc2ccc(C(=O)N[C@@H](CCc3ccccc3)C(=O)O)cc2OCCc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNAMYYMXVSJSHL-TWJUONSBSA-N", "SMILES:N[C@@H](Cc1ccc2ccccc2c1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)O)cc1OCCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZHNWSLHLJLEAZ-LURJTMIESA-N", "SMILES:CC[C@H](N)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEJJYHFTZDAHZ-QMMMGPOBSA-N", "SMILES:CC(C)C[C@H](N)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPKCGKSHCAWEG-MHZLTWQESA-N", "SMILES:CCC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUTUADRXUNNZQU-LJAQVGFWSA-N", "SMILES:CCCCCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHBANLJLSNJFL-MHZLTWQESA-N", "SMILES:Cc1ccc(CC[C@H](NC(=O)c2ccc(N)c(CCc3ccc(O)cc3)c2)C(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTBRQSKACWPRIO-SANMLTNESA-N", "SMILES:CC(C)(C)OC(=O)[C@H](CCc1ccc(F)cc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3817886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMGJOBLEMBULD-MHZLTWQESA-N", "SMILES:COc1ccc(CC[C@H](NC(=O)c2ccc(N)c(CCc3ccc(O)cc3)c2)C(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPUQRGBZRYPDIR-SANMLTNESA-N", "SMILES:CC(C)(C)OC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQJOLKCIMKIHB-SANMLTNESA-N", "SMILES:CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(N)cc(CCc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDBFCZCSDVLKZ-SANMLTNESA-N", "SMILES:CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2cccc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTMGFOGLFILKL-VWLOTQADSA-N", "SMILES:CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(OCCc2cccc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKHZORJVGAWVMY-VWLOTQADSA-N", "SMILES:CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(COc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRLONZOCEVTYLS-MHZLTWQESA-N", "SMILES:CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCCc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDOPBRDEQCAHAO-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1cc(C(=O)c2ccccc2O)cc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOVUWNITQAURW-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C(=O)O)CC(=O)N2Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1465185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURRDEYKNKAQFB-UHFFFAOYSA-N", "SMILES:O=C(O)CNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHZOGHSFFUXRN-HKKSJEETSA-N", "SMILES:CN(Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1)C(=O)CCCCCNC(=O)C[C@H](NC(=O)c1ccc(N=[N+]=[N-])cc1)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"name": "3-hydroxyisobutyryl-CoA hydrolase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3817723"], "id": "UniProtKB:Q6NVY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQWFOYXIFPCHK-WEVVVXLNSA-N", "SMILES:CCN1C(=O)S/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSMUKJKASLWBP-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc2cc(O)c(O)c([N+](=O)[O-])c2cc1C(=O)N(CC)CC"]}
{"name": "Gamma-butyrobetaine dioxygenase", "xref": ["CHEMBL.TARGET:CHEMBL3817724"], "id": "UniProtKB:P80193", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:29440"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWFWOUODUTVCE-ZCFIWIBFSA-N", "SMILES:C[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWFWOUODUTVCE-LURJTMIESA-N", "SMILES:C[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYWBSPWOHMZNE-JTQLQIEISA-N", "SMILES:CC(C)[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWHGHTIGHBSZMS-NSHDSACASA-N", "SMILES:CC(C)C[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRXYSFKUSQNIL-AWEZNQCLSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1nc(Cl)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVDFWPDMZYPBMH-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1nc(Cl)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSUYTQLGVGVBSZ-QMMMGPOBSA-N", "SMILES:O=C(O)C[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTJIRVZJJGFTK-SFHVURJKSA-N", "SMILES:CCN(C(=O)CO)[C@H]1CN(/C(=N\\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDWMRSXWUJMQU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3ccccc3s2)ccc1-n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRAXYCIYIXKBHC-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(-n4nnc5ccccc54)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVXODXPJYBLAW-UHFFFAOYSA-N", "SMILES:CCc1ccc2nc(-c3ccc(-n4nnc5ccccc54)c(C)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3817872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGKQCZLVXVAUJV-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]c(SCc3c(F)cccc3F)nc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUVDHJEINQZML-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CSc2nc3c(=O)[nH]c(N)nc3[nH]2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHAPVHANDLLSAI-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]c(SCc3ccccc3)nc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWZOSZRSFBULCC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CSc2nc3nc(N)[nH]c(=O)c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXBVKPIQPXRBY-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]c(SCc3ccccc3F)nc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFHRQQKPEBFUJK-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQOKOKQQGKYASH-FPBOJHQQSA-N", "SMILES:O=C(/C=C/N1[C@H]2CC[C@@H]1c1ncnc(NC3CC3)c1C2)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZHJSKUOGHRTO-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOSIRQNYWJNZFB-WGLQCKHLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)[C@H](CNC(=O)[C@@H](N)CC(=O)O)N(Cc2ccccc2)C1=O)C(=O)NC(C)(C)C"]}
{"name": "Sterol 14alpha-demethylase", "xref": ["CHEMBL.TARGET:CHEMBL5090"], "id": "UniProtKB:P9WPP9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFYKBIJULTBML-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUMPZUWDNNJQSP-SQRPYVEDSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4299640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKZXWKWVPXGHFP-MFVUENBNSA-O", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCCn1nnc2c1CC[C@H]1[C@@H](CC2)[C@H]1COC(=O)NCCOCCOCCNC(=O)CCCC[N+]1=C(/C=C/C=C/C=C2\\N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@H](CC(C)C)C(=O)O)[C@H](C)CC)[C@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4299623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAIPKSUSYFGSDE-WQUSDGPRSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@H](CSC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@H](CO)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CO)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCCn1nnc2c1CC[C@@H]1[C@H](CC2)[C@@H]1COC(=O)NCCOCCOCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDPHAKKZGDBEV-CQZJAECQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJAUDRYHVNOPNC-HNNXBMFYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3817988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJIZUWPMOKFQEY-LHSCFIAGSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC(C)(P(=O)(OCC[C@H](C)CCC=C(C)C)OCOC(=O)C(C)(C)C)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALUHLXDWKRXCC-UHFFFAOYSA-N", "SMILES:O=C1C(=Cc2ccc(N3CCN(c4ncccn4)CC3)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXNNBWHSRNIPJN-UHFFFAOYSA-N", "SMILES:O=C1C(=Cc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXMLPPNBNQAAGU-RLUZFGJUSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRPFKCJZALCLQ-UHFFFAOYSA-N", "SMILES:O.O=C(O)C(F)(F)F.O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5nc[nH]c5cc4nc3-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1333043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXRKYKPFBCCMM-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALNRORLDZZFLM-UHFFFAOYSA-N", "SMILES:Oc1cccc(CNc2ccccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1984884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMIVOPRNBGRDKP-WOJGMQOQSA-N", "SMILES:Oc1ccccc1/N=C/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOHRFRUBQCIPJE-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2ccccc2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWUXFXXYXYYQSE-VCHYOVAHSA-N", "SMILES:Oc1ccc(/N=C/c2c(O)ccc3ccccc23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSKFCOIMMXSLS-CPNJWEJPSA-N", "SMILES:O=C1/C(=C/C2CCN(Cc3ccccc3)CC2)Cc2cccc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL168938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMOTUSFDTTWJL-UDWIEESQSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/C1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPIFFAVGHCOCCC-DEDYPNTBSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/C1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMKYXADBLYWBA-XSFVSMFZSA-N", "SMILES:COc1cccc2c1C(=O)/C(=C/C1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIWTTNRVIMZIP-DEDYPNTBSA-N", "SMILES:COc1ccc2c(c1)C/C(=C\\C1CCN(Cc3ccccc3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJDCHBRSITJLS-XDHOZWIPSA-N", "SMILES:O=C1/C(=C/C2CCN(Cc3ccccc3)CC2)Cc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQFGUJASGKRMS-VXLYETTFSA-N", "SMILES:O=C1/C(=C/C2CCN(Cc3ccccc3)CC2)Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATSNZSQYDITNU-UDWIEESQSA-N", "SMILES:COc1cccc(CN2CCC(/C=C3\\Cc4cc(OC)ccc4C3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKGQMXOOLGDAM-YBFXNURJSA-N", "SMILES:COc1cc2c(cc1O)C(=O)/C(=C/C1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAXIVSYMLISJH-YBFXNURJSA-N", "SMILES:COc1cc2c(cc1O)C/C(=C\\C1CCN(Cc3ccccc3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXAOZDHJHXGRFU-XDHOZWIPSA-N", "SMILES:O=C1/C(=C/C2CCN(Cc3ccccc3)CC2)Cc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHAQRBXZOTBMX-UDWIEESQSA-N", "SMILES:COc1cccc(CN2CCC(/C=C3\\Cc4ccc(OC)cc4C3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQQDXQGUWSLSC-DEDYPNTBSA-N", "SMILES:COc1cccc(CN2CCC(/C=C3\\Cc4cccc(OC)c4C3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSNKBYPYCIBWEY-VXLYETTFSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/C1CCN(Cc3ccc4c(c3)OCO4)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVXQNAFUZDCNTM-YBFXNURJSA-N", "SMILES:COc1cccc2c1C(=O)/C(=C/C1CCN(Cc3ccc4c(c3)OCO4)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSXFATOLZGZLSK-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL154745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMKHWTRUYNAGFG-IEBDPFPHSA-N", "SMILES:Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVRTWAAJBWKPG-HNNXBMFYSA-N", "SMILES:CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3822839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGAPPUPMOXTJP-HNNXBMFYSA-N", "SMILES:CCCCN1C(=O)[C@@H]2Cc3c(n(CO)c4ccccc34)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVRTWAAJBWKPG-OAHLLOKOSA-N", "SMILES:CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)CN2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3823145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGAPPUPMOXTJP-OAHLLOKOSA-N", "SMILES:CCCCN1C(=O)[C@H]2Cc3c(n(CO)c4ccccc34)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL130474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVNCTMGCFFMME-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2443303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGOHZANQYHEHZ-FYYLOGMGSA-N", "SMILES:CN1CCN(C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H]3N(C)c4ccccc4C(=O)N23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJFSUDWKXGMUKA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN(C)C"]}
{"name": "Bromodomain-containing protein 7", "xref": ["CHEMBL.TARGET:CHEMBL3822348"], "id": "UniProtKB:O88665", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBUYFHLQNPJMQM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C"]}
{"name": "Bromodomain-containing protein 9", "xref": ["CHEMBL.TARGET:CHEMBL3822347"], "id": "UniProtKB:Q3UQU0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1547184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUFHEUJHSAJDFW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)NC(c1ccc(N(C)C)cc1)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJEFYPYKUYMHFJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)c1cccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PELQZHZYRKUEPL-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nc3cc(O)ccc3n3cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3822706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGEXPMNIPQBGOW-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2nc3cc(O)ccc3n3cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEUMSXQHYXCNBG-UHFFFAOYSA-N", "SMILES:CCNc1ccc(-c2nc3ccccc3n3cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3822795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFXIJMQOAAOSR-UHFFFAOYSA-N", "SMILES:C#CCCN1C(=O)C2(CC(=C)C(=O)O2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOQFEZBFAQEJMR-UHFFFAOYSA-N", "SMILES:C=C1CC2(OC1=O)C(=O)Nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCECFYHBKPIXNF-UHFFFAOYSA-N", "SMILES:C=C(CC1(O)C(=O)Nc2ccccc21)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLOGLWKOHPIJLV-UHFFFAOYSA-N", "SMILES:CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVWKSQMAJRJAT-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2C1c1cc2ccccc2nc1Cl)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3822686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOUEXYCZMTYTI-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)Oc2nc3c(c(N)c2C1c1cc2ccc(OC)cc2nc1Cl)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBQXALJOAOTJJ-FNORWQNLSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1O)c1cccc(O)c1"]}
{"name": "Glucosyltransferase-I", "xref": ["CHEMBL.TARGET:CHEMBL3822351"], "id": "UniProtKB:P08987", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:210007"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBQXALJOAOTJJ-ALCCZGGFSA-N", "SMILES:O=C(/C=C\\c1ccc(O)cc1O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDYSHUXENHRSOO-XBXARRHUSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3823460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDYSHUXENHRSOO-YWEYNIOJSA-N", "SMILES:O=C(/C=C\\c1ccc(O)cc1O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3824127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCXQQJBVSXYRMM-AATRIKPKSA-N", "SMILES:O=C(/C=C/c1cc(O)c(O)cc1O)c1ccccc1O"]}
{"name": "Glucosyltransferase-S", "xref": ["CHEMBL.TARGET:CHEMBL3822352"], "id": "UniProtKB:P49331", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:210007"]}
{"name": "Glucosyltransferase-SI", "xref": ["CHEMBL.TARGET:CHEMBL2366466"], "id": "UniProtKB:P13470", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:210007"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593662", "category": ["biolink:ChemicalEntity"], "name": "UROTENSIN-II", "xref": ["InChIKey:HFNHAPQMXICKCF-USJMABIRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZHTXUSYGCGPY-KOOAXUMWSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGSOUQOVKICATR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3ccccc3c(=S)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUQSFLFKFAGWIS-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(O)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3822867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAUVUKJMFHBLNQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(SC)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3822473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKZOMRKPPPPJU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(OC)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOPBSAJHCUSAS-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1"]}
{"name": "Patatin-like phospholipase domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3425391"], "id": "UniProtKB:Q8BJ56", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPVQCBAEBAOURF-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Nc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTKBXGKRLFVQP-UHFFFAOYSA-N", "SMILES:O=C(CCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPQGWXPDRNCBL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3822689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPRXFLUVHYBBT-VAWYXSNFSA-N", "SMILES:CN1CCN(/C=C2\\CCn3c2nc(=O)c2c(Cl)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWERENZUADIUDM-JMIUGGIZSA-N", "SMILES:O=C(CNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PELFFOXYNKIDPL-WNAAXNPUSA-N", "SMILES:CC/C(=C(/c1ccc(NC(=O)C(C)C)cc1)c1ccc(OC)cc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCSKPZLMDUTTQ-OCEACIFDSA-N", "SMILES:CC/C(=C(/c1ccc(NC(=O)C(C)C)cc1)c1ccc(OC)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYGQPKIDKEOSU-OCOZRVBESA-N", "SMILES:CC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZJYCMOCENYDKE-LVWGJNHUSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHULYTZTHZIVDH-UHFFFAOYSA-N", "SMILES:c1csc(-c2ccnc3nnnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTZALLKANSEPMC-UHFFFAOYSA-N", "SMILES:c1ccc2oc(-c3ccnc4nnnn34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTUEZRAYCAWPC-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2cc1-c1ccnc2nnnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQOPFZJUZOMNM-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccnc3nnnn23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEASMBZQRGRSU-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2ccnc3nnnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFYXJVUXHIXRMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3nnnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLLCXQVVRYDEON-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1ccnc2nnnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPXZDUMAQIQNL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2ccnc3nnnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIFOCRQEGQYWMZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccnc3nnnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVTUWAVBOVEGX-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccnc3nnnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEKPPNOJRJGDFW-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccnc3nnnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRSCUQLRICXILN-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccnc3nnnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1458632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUAPELPCMQTDN-UHFFFAOYSA-N", "SMILES:NC(=O)SCC(=O)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1601846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYKVZHXHVUVABA-UHFFFAOYSA-N", "SMILES:O=c1oc2c(cc1O)oc(=O)c1cc(O)c(O)c(O)c12"], "synonym": ["NSC-107022"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQGVUYNHDKMLSE-UHFFFAOYSA-N", "SMILES:O=C1c2c(O)cc(O)cc2OCC1c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2142930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTONGHUGUSEONX-UHFFFAOYSA-N", "SMILES:OCc1cc(O)c(CO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1728276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDHCVQNIRWDINX-UHFFFAOYSA-N", "SMILES:O=C1COc2c1ccc(O)c2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3827961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVDKAMNZUXHNQB-UHDJGPCESA-N", "SMILES:COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)CCCCC3)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBEVTNMIQYQJLI-CIAFOILYSA-N", "SMILES:CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEFFTAOHXRBBAD-UHFFFAOYSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(CC(C)C)C(=O)CN(NC(=O)Cc1ccccc1)C(=O)CN(C)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"name": "Platelet-activating factor acetylhydrolase IB subunit alpha2", "xref": ["CHEMBL.TARGET:CHEMBL4463"], "id": "UniProtKB:P68402", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIXOWOWJOQZEE-UHFFFAOYSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CN(NC(=O)Oc1ccccc1)C(=O)CN(NC(=O)c1ccc(Br)cc1)C(=O)CN(NC(=O)OCc1ccccc1)C(=O)CN(C)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWZMZVSLKFXELD-UHFFFAOYSA-N", "SMILES:COCCC(=O)NN(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CCOC)CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)NC(=O)c1ccc(OC)cc1)NC(=O)Nc1ccccc1)NC(=O)c1ccc(Cl)cc1)C(=O)CN(C)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKACVYHVAJULB-UHFFFAOYSA-N", "SMILES:COCCC(=O)NN(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CCOC)CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)Cc1ccc2c(c1)OCO2)NC(=O)Nc1ccccc1)NC(=O)c1ccc(Cl)cc1)C(=O)CN(C)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBMLBORJIBPVJP-UHFFFAOYSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccc(N(C)C)cc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBHVFVHDFOGPE-UHFFFAOYSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CNNC(=O)c1ccc(-c2ccc(Br)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHGVTFGUIDXZJQ-UHFFFAOYSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)c1ccc(OC)cc1)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CN(NC(=O)Cc1ccccc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJQEDPNORXKCU-UHFFFAOYSA-N", "SMILES:COCCC(=O)NN(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CCOC)CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)Cc1ccc2c(c1)OCO2)NC(=O)Nc1ccccc1)NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCUEJVDJGHEME-UHFFFAOYSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOZUUXZMKIXEH-UHFFFAOYSA-N", "SMILES:NC(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNYQGYZJBRTSJ-UHFFFAOYSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVAHUZXIBUJYKW-UUWRZZSWSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)N[C@H](C)c1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGOVLMPHBHKVRP-UHFFFAOYSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)NCC(=O)O)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"name": "Platelet-activating factor acetylhydrolase IB subunit alpha1", "xref": ["CHEMBL.TARGET:CHEMBL5108"], "id": "UniProtKB:Q15102", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha/beta hydrolase domain-containing protein 17B", "xref": ["CHEMBL.TARGET:CHEMBL2189132"], "id": "UniProtKB:Q5VST6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine hydrolase RBBP9", "xref": ["CHEMBL.TARGET:CHEMBL1075121"], "id": "UniProtKB:O75884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBYVFHDSGPNAA-UHFFFAOYSA-N", "SMILES:COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccc(Br)cc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVJHNIKGVKWAGW-UHFFFAOYSA-N", "SMILES:NC(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHAGULOSJFYCG-UHFFFAOYSA-N", "SMILES:O=C1c2cc(O)ccc2-c2c1c1ccc(O)cc1c(=O)n2-c1ccc(OCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1198405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEKCHDAUQRKKOP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1c(=N)n(CC(O)c2ccc(Cl)c(Cl)c2)c2ccccc21"]}
{"name": "Chromobox protein homolog 7", "xref": ["CHEMBL.TARGET:CHEMBL3826868"], "id": "UniProtKB:Q8VDS3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPRTSJFLKUICA-GLJAUCNMSA-N", "SMILES:CC(=O)Oc1cccc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAWZESLJEVSFRN-OAHLLOKOSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQPVVRAVKKEONY-GNKBHMEESA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCCOC(=O)Nc1cc(CNCCS)nc(CNCCS)c1"]}
{"name": "DNA dC->dU-editing enzyme APOBEC-3G", "xref": ["CHEMBL.TARGET:CHEMBL1741217"], "id": "UniProtKB:Q9HC16", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMTIPYFAQSPPCA-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1cccc(-c2cn(CC(=O)O)nn2)c1)c1ccc(-c2ccccc2)c(F)c1"]}
{"name": "Sphingosine-1-phosphate lyase 1", "xref": ["CHEMBL.TARGET:CHEMBL3286061"], "id": "UniProtKB:O95470", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTCPXGYTFZSOAJ-PMERELPUSA-N", "SMILES:O=C(O)Cn1cc(-c2cccc(NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAMVQPDEMJOINX-RUZDIDTESA-N", "SMILES:O=C(O)CCn1cc(-c2cccc(NC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOELCVCRDBXPQX-XMMPIXPASA-N", "SMILES:O=C(O)CCn1cc(-c2cccc(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)OCc3ccccc3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHAKPJBOPPIZOR-NWDGAFQWSA-N", "SMILES:N[C@@H](COP(=O)(O)O)[C@H](O)CCOc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMJYYDKPUPTID-UHFFFAOYSA-N", "SMILES:CCc1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTMADXFOCUXMJE-UHFFFAOYSA-N", "SMILES:Cc1c(O)cccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3828450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYDIAAMUCQQDE-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3401355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXERDUOLZKYMJM-BQSOCLIVSA-N", "SMILES:CC[C@H]1[C@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3828048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXOROAIBLTXLR-UHFFFAOYSA-N", "SMILES:CC1Sc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N=C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQZXBKZMCYRMGK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccc(Cl)cc4)n[nH]3)SC2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443681", "category": ["biolink:ChemicalEntity"], "name": "OBLONGIFOLIN C", "xref": ["InChIKey:XIKKSUTXFFVDEF-SSVAQFLFSA-N", "SMILES:CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)[C@@]1(C)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3827656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEWJMCNFGKUHS-WDZYYWNZSA-N", "SMILES:CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(OCC(=O)O)c(OCC(=O)O)c3)=C2O)[C@@]1(C)CCC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFGFFCMZXDDYQV-OODRFCTHSA-N", "SMILES:COC(=O)COc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@@H](C/C=C(\\C)CCC=C(C)C)[C@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZQLIFHPJDYJHE-OODRFCTHSA-N", "SMILES:COC(=O)COc1cc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@@H](C/C=C(\\C)CCC=C(C)C)[C@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)ccc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149463", "category": ["biolink:ChemicalEntity"], "name": "3-ACETYLCOUMARIN", "xref": ["InChIKey:CSPIFKKOBWYOEX-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2ccccc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3952071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWRLQMUSONFVRY-VGOFMYFVSA-N", "SMILES:C/C(=N\\NC(N)=S)c1cc2ccccc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3960983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJRENMDCSKMFE-JSYAWONVSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3937210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDKKGQXBCUYEW-YYCFNKMXSA-N", "SMILES:CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](COC(=O)/C=C\\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3901962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDKKGQXBCUYEW-BXUNLLTKSA-N", "SMILES:CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3919673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFRTNQSGKBZOF-GHELUIAXSA-N", "SMILES:O=C(/C=C\\c1ccc(O)cc1)O[C@H]1[C@H](Oc2cc(O)cc(O)c2)O[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3980175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFRTNQSGKBZOF-JSYAWONVSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](Oc2cc(O)cc(O)c2)O[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3947722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJHJFZAYGJNDZ-JZCBPPQOSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)cc(O)c2)O[C@H](CO)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3919933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCXJFISPBQSHV-UVENFXTOSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2cc(O)cc(O)c2)O[C@@H]1CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3975994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KILTUIPEQSCVKN-JOBQEJRFSA-N", "SMILES:O=C(OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC[C@H]2O[C@@H](Oc3cc(O)cc(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3946678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCBJMDGVCKUIDJ-JOBQEJRFSA-N", "SMILES:O=C(OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1[C@H](C(=O)OC[C@H]2O[C@@H](Oc3cc(O)cc(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3901938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRZWBWPDBOVIGQ-KIDIPURZSA-N", "SMILES:CN1C(=O)[C@@]2(CO)SS[C@@]1(Cc1cn([C@]34C[C@@]56SS[C@](CO)(C(=O)N5[C@H]3Nc3ccccc34)N(C)C6=O)c3ccccc13)C(=O)N2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL459120", "category": ["biolink:ChemicalEntity"], "name": "(+)-DISCORHABDIN B", "xref": ["InChIKey:SVKKMXJIWIOCJC-VOJFVSQTSA-N", "SMILES:O=C1C=C2S[C@H]3C[C@]2(C=C1Br)C1=C(N3)C(=O)c2[nH]cc3c2C1=NCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3910426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWEINJOSPZABTQ-ZBLLBRKJSA-O", "SMILES:O=C1C=C(S[C@H]2[C@H]3C(=O)C=C4S[C@H]5C[C@]42C2=C(N5)C(=O)c4[nH]cc5c4C2=[N+]3CC5)[C@]2(C=C1Br)CCNC1=C2C2=NCCc3c[nH]c(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSBSZHLMZJQFU-SAABIXHNSA-N", "SMILES:O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@]1(C=C(Br)[C@H](O)C(Br)=C1)CCN2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3912024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPHRMRRFSKANC-CAQGJSCNSA-O", "SMILES:Cn1c(C[C@H](N)C(=O)O)cnc1S[C@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C(N4)C(=O)c3[nH]cc4c3C1=[N+]2CC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1194747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMJSLBHDYZDDN-JRXCTEAYSA-O", "SMILES:O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@H]1C(=O)C=C4S[C@@H](C[C@@]43[C@H]1O)N2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3938903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMBYTMJELDFQH-LQFQNGICSA-N", "SMILES:O=C1C=C(SSC2=CC(=O)C(Br)=C[C@]23CCNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@]2(C=C1Br)CCNC1=C2C2=NCCc3c[nH]c(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331627", "category": ["biolink:ChemicalEntity"], "name": "GLIOTOXIN", "xref": ["InChIKey:FIVPIPIDMRVLAY-RBJBARPLSA-N", "SMILES:CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3922959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBAVLTNIRYDCPM-YMILTQATSA-N", "SMILES:COc1cc2oc(=O)ccc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3986260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFMCVCPZXZQLY-RZAPNLABSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)[C@H](O)C2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3889940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWHMHPOOPIAWTE-DYMYMWKRSA-N", "SMILES:Cl.NC(N)=N/N=C/c1cccc(OCc2ccccc2)c1"]}
{"name": "Heme oxygenase", "synonym": ["Iron-starvation protein PigA"], "xref": ["CHEMBL.TARGET:CHEMBL1075209"], "id": "UniProtKB:O69002", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPIYESBXROKYIX-WXIWBVQFSA-N", "SMILES:COc1ccccc1/C=N/NC(=N)N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDPMCFASTANMCB-HMXKFKBXSA-N", "SMILES:Cl.N=C(N)N/N=C/c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKFEARIYIWCHH-NKPNRJPBSA-N", "SMILES:Cl.NC(N)=N/N=C/c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBCKJIJBDNZHRJ-FTPOTTDRSA-N", "SMILES:CN(C)c1ccc(/C=N/NC(=N)N)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOWSXLOOOAEFET-LZMXEPDESA-N", "SMILES:Cl.NC(N)=N/N=C/c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYUEFHDJYEETD-WWOZWPLTSA-N", "SMILES:Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1644887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJAUEZBPWTKIV-JOCHJYFZSA-N", "SMILES:O=C(N[C@H](CC1CCCCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21"], "chembl_natural_product": true}
{"name": "3'-5' exonuclease crn-4", "xref": ["CHEMBL.TARGET:CHEMBL3879829"], "id": "UniProtKB:Q10905", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6239"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275938", "category": ["biolink:ChemicalEntity"], "name": "AURINTRICARBOXYLIC ACID", "xref": ["InChIKey:GIXWDMTZECRIJT-UHFFFAOYSA-N", "SMILES:O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3961418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKAUHDJTJXBRST-ZPZFBZIMSA-L", "SMILES:O=S(=O)([O-])c1cc(O)c2c(O)c(/N=N/c3cccc4ccccc34)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]"]}
{"name": "Ribonuclease T", "xref": ["CHEMBL.TARGET:CHEMBL3879866"], "id": "UniProtKB:P30014", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOVYKVDSWWPJMK-ODKJCKIQSA-N", "SMILES:C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUDUMCCMFRYVOR-ZYELEKFWSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVEIIEBZNAQZCN-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1CN1CC(Cc2ccccc2)NC(=O)c2nn(CCC3CCN(C(=O)OC(C)(C)C)CC3)cc21"]}
{"name": "RYamide receptor", "xref": ["CHEMBL.TARGET:CHEMBL3879848"], "id": "UniProtKB:P25931", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3974271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRDGVWFRHBVJPL-HNNXBMFYSA-N", "SMILES:CC(C)CN1C[C@H](CCCCN)NC(=S)c2nn(CC(C)C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXAOBODAUFERDG-KRWDZBQOSA-N", "SMILES:CC(C)CN1C[C@H](CCCCN)N=C(SCCC(N)=O)c2nn(CC(C)C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJHGVGOUCOPLX-QGZVFWFLSA-N", "SMILES:CC(C)CN1C[C@@H](CCCCN)N=C(SCCC(=O)NN)c2nn(CC(C)C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFDXRSKSCQAZPT-DIEWZCGHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)[C@@H](C)O"]}
{"name": "Neuropeptide F receptor", "xref": ["CHEMBL.TARGET:CHEMBL3879841"], "id": "UniProtKB:Q9VNM1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"name": "Translin-associated protein X", "xref": ["CHEMBL.TARGET:CHEMBL4524025"], "id": "UniProtKB:Q99598", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMOQIVFMYHKHRR-RXMQYKEDSA-N", "SMILES:C[C@H]1Nc2cccnc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHKMIOAEPALCFS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)N4CCC(O)CC4)c3)nc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWBUWMZKOEJTN-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCN(S(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOKVMFNJBPBZCE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(S(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)CC1"]}
{"name": "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma", "xref": ["CHEMBL.TARGET:CHEMBL1770034"], "id": "UniProtKB:Q8TBX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039502", "category": ["biolink:ChemicalEntity"], "name": "DUVELISIB", "xref": ["InChIKey:SJVQHLPISAIATJ-ZDUSSCGKSA-N", "SMILES:C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1"], "synonym": ["Duvelisib", "Duvelisib", "Duvelisib", "Duvelisib", "INK-1147", "INK-1197", "IPI-145", "Duvelisib"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3934287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBOAEHYMTXOGMH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CN(Cc2ccccn2)Cc2ccco2)cc1)N1CCc2ccc(O)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPLZSVYGUVOEDN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(Cc2ccc(C(=O)N3CCc4ccc(O)cc4C3)cc2)Cc2ccco2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZJZNWMEABDMJW-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(Cc2ccc(C(=O)N3CCc4ccc(O)cc4C3)cc2)Cc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTBTMXFUUOFFL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc2c(c1)CN(C(=O)c1ccc(CN(Cc3ccccn3)Cc3ccco3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZVTJUFPWATJV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(Cc2ccc(C(=O)N3CCc4ccc(OS(N)(=O)=O)cc4C3)cc2)Cc2ccco2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKURPGMLDXAMEO-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(Cc2ccc(C(=O)N3CCc4ccc(OS(N)(=O)=O)cc4C3)cc2)Cc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXDUTHBFYKGSAH-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)C21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3982174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDYNWGSCUBFMT-MZJWZYIUSA-N", "SMILES:O=C(N/N=C/c1c(-c2cc3ccc(Br)cc3oc2=O)[nH]c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMKFMQLJQUPNJI-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1ccc(O)cc1)NNCc1ccc(O)c(O)c1O"]}
{"name": "Genome polyprotein", "xref": ["CHEMBL.TARGET:CHEMBL2396505"], "id": "UniProtKB:P03313", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:103903"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTERGCNTHRPYJW-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2c(c1)OC(COc1ccc(F)c(C(N)=O)c1F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFUGFRVFOIZJKX-VIFPVBQESA-N", "SMILES:NC(=O)c1c(F)ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3909931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYGQQDNUSRRMA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)OC(COc1ccc(F)c(C(N)=O)c1F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGGBMDKYHXKCU-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(F)c(C(N)=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWMPFRQENZHKOO-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHUYKRWOSFLPHU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2ccc(F)cc2c1N1CCN(c2cc(C)nc3ncnn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEQASZPVWYVCK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(F)cccc2c1N1CCN(c2cc(C)nc3ncnn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCVWGURXKMSYQV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2ccc(OC)cc2c1N1CCN(c2cc(C)nc3ncnn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPUFNYCQPVROX-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc(-c3ccccc3)c3cc(Nc4ccc(N5CCN(C)CC5)cc4)nc(N4CCN(C)CC4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3986748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVBVLYQBVYOUAJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc(-c3ccccc3)c3cc(Nc4ccc(N5CCN(C)CC5)cc4)nc(N4CCNCC4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYNMELDBUEVPV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc(-c3ccccc3)c3cc(Nc4ccccc4)nc(N4CCNCC4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQLTLMYUSUASN-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc(-c3ccccc3)c3cc(Cl)nc(N4CCNCC4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIBPOKXLBEXHX-UHFFFAOYSA-N", "SMILES:CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCCc3ccc(Cl)cc3-4)C1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3978981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJCAQMHJMKOKNZ-UHFFFAOYSA-N", "SMILES:CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCCc3cc(Cl)ccc3-4)C1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMZMVBAMIJBBW-HXUWFJFHSA-N", "SMILES:O=C(NCc1ccccc1)[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQEDZLDNNBDKDS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1"]}
{"name": "5-hydroxytryptamine receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL4764"], "id": "UniProtKB:P32304", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3897426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMZBBSVTWGBTF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(F)ccc2N2CCN(CCCCCC(=O)NCc3ccc(C#N)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCAGATFCNDPZOG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(Cn2cnc3scc(-c4ccc(C)o4)c3c2=O)CC1"]}
{"name": "Mitotic spindle assembly checkpoint protein MAD2B", "xref": ["CHEMBL.TARGET:CHEMBL4524021"], "id": "UniProtKB:Q9UI95", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKDOPJQPKXNCT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CN2CCc3c(Cl)cc(-c4c(C)noc4C)c(Cl)c3C2=O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEYNFUNNLMVBU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CN2CCc3ccc(-c4c(C)noc4C)c(Cl)c3C2=O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRVJMFUWXYQVMK-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncn2-c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVNKYCMMEPEVGH-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGZMOOKPVHQKD-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUAODTRXVVQHNG-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2cnccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWVQILGNCOWLGD-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccc(F)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNLGUFPYLWSHIV-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCc3c(ncn3-c3ccc(F)cn3)C2)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIJTCUGJYMPTQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1Cl)N1CCc2c(ncn2-c2ccc(F)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVDHNLVRCBJYAL-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(ncn2-c2ccc(F)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWULMTACIBZPGN-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCN1CCCC1"]}
{"name": "Melanin-concentrating hormone receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1075228"], "id": "UniProtKB:P97639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOYGLASHKRVBV-KMACTHOASA-N", "SMILES:CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C)C(=O)N[C@@H](CO)C(=O)OC"]}
{"name": "Chromobox protein homolog 7", "xref": ["CHEMBL.TARGET:CHEMBL1764946"], "id": "UniProtKB:O95931", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBRBNTUYIBYDIR-KMACTHOASA-N", "SMILES:CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C)c1)C(=O)N[C@@H](CO)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCAQDGBJOWAITH-KMACTHOASA-N", "SMILES:CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](CO)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJUYVSEWGRELC-UHFFFAOYSA-N", "SMILES:Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOJWAYLSJLULG-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJQFQHJDNDTAOI-BWSLIHEESA-N", "SMILES:COc1cc(CCCO)cc(OC)c1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPLDQWWNHPHRIL-DZLQXDJLSA-N", "SMILES:CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCBDODYHJJSTJI-YACVUYORSA-H", "SMILES:CC1=CCC(C(=O)/N=C2\\CC=C(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c32)=C/C1=N/C(=O)C1=CC=C/C(=N\\C(=O)/N=C2\\C=CC=C(C(=O)/N=C3/CC(C(=O)/N=C4\\CC=C(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c54)=CC=C3C)C2)C1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMSYVEFXRAMWBA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(NCCN4CCCC4)c1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSMRNRJMUKTCNH-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)cc2c1Oc1cc(O)cc(C(=O)CCCC)c1C(=O)O2"], "chembl_natural_product": true}
{"name": "Kinesin-like protein KIF20B", "xref": ["CHEMBL.TARGET:CHEMBL2021752"], "id": "UniProtKB:Q96Q89", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL171637", "category": ["biolink:ChemicalEntity"], "name": "PHYSODIC ACID", "xref": ["InChIKey:KVTYWHGIZSCFLG-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3903473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUFOFQGYXAGAC-QMUCRNDTSA-N", "SMILES:C=C[C@@H]1C[C@H](C)C[C@H](C)[C@H]1c1c(O)ccn(O[C@@H]2C(C(=O)OC)=C[C@@H](O)[C@@H](O)[C@H]2O)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3961750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJPMYUDKLUEWPT-FKBYEOEOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOAXIMHIEYHJHL-UFYCRDLUSA-N", "SMILES:COC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDLUYYGRCGDKGL-UHFFFAOYSA-N", "SMILES:CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPIXPRXCTZTZFV-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3n(CCC)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXMRDVYSRUCIM-UHFFFAOYSA-N", "SMILES:CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)O)cc2)c(O)c2ccccc21"]}
{"name": "Protein smoothened", "xref": ["CHEMBL.TARGET:CHEMBL1795175"], "id": "UniProtKB:P97698", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKCRLSRMMVTAN-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1"]}
{"name": "Katanin p60 ATPase-containing subunit A1", "xref": ["CHEMBL.TARGET:CHEMBL3879856"], "id": "UniProtKB:O75449", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIQIOGAGUFFCX-NSVAZKTRSA-N", "SMILES:CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C(=O)NCCCCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)c4)c3n2)cc1"]}
{"name": "Katanin p80 WD40 repeat-containing subunit B1", "xref": ["CHEMBL.TARGET:CHEMBL3879844"], "id": "UniProtKB:Q9BVA0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3976182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDASFBLAYXAIQ-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CC(Nc1nc(-c3ccsc3)nc3ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJDAALCLRKSIX-UHFFFAOYSA-N", "SMILES:c1cncc(-c2nc(NC3CCCCC3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDLKVWYPVAIKE-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(O)c1C(=O)CC(C)C"], "chembl_natural_product": true}
{"name": "Proto-oncogene tyrosine-protein kinase Src", "xref": ["CHEMBL.TARGET:CHEMBL3014"], "id": "UniProtKB:Q9WUD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZHCXSFHMFKNQ-JTQLQIEISA-N", "SMILES:COc1cc(OC)c(CN[C@@H](CO)C(=O)O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROIIFEYDGXSDTI-NSHDSACASA-N", "SMILES:COc1cc(OC)c(CN[C@@H](CCC(=O)O)C(=O)O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNCTUYUYWIPHP-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)c1c(O)cc(O)cc1OCc1c(-c2ccccc2)no[n+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRBVPZOYSLWDP-JTQLQIEISA-N", "SMILES:COc1cc(OC)c(CN[C@@H](CC(=O)O)C(=O)O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMYWBOOEKNCGR-UHFFFAOYSA-N", "SMILES:CCCCc1cccc(Nc2ccccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYQGIBMDZRXJW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(Nc2ccccc2C(=O)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWJQNRCWBQIBFD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFBDJYMPSIKOW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3976406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWADFWPVXXWOEY-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOOQXVNSJQLHRB-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZUJSMNNJDGEES-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEXITLSZOMSFC-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2ccccc2-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODSJCNANRAHCM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Cn2c(=O)c(C(=O)NCCc3ccccc3)cc3c([N+](=O)[O-])cccc32)cc1"]}
{"name": "Nuclear factor of activated T-cells, cytoplasmic 1", "xref": ["CHEMBL.TARGET:CHEMBL3876"], "id": "UniProtKB:O95644", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INERPRXBFICQAX-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Cl)cc2)oc2c(O)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWFJMASUXYAUJU-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(=S)cc(-c3ccc(Cl)cc3)oc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3889692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXPCSVGFJANQRI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(=S)c3ccc(O)c(O)c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWOXOZMWVNBQGF-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(=S)cc(-c3ccc(Br)cc3)oc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMOCMMSHXMENBG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C2=C(O)C(=O)c3ccccc3C2=O)c2c[nH]c3ccccc23)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBIUQXNNKWZOGM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1C(C1=C(O)C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCPIOKVXWZZEOQ-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(C(c2cccc([N+](=O)[O-])c2)c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOCCJLZMVZIWJK-UHFFFAOYSA-N", "SMILES:COc1cc(C(C2=C(O)C(=O)c3ccccc3C2=O)c2c[nH]c3ccc(Br)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3977455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWAXYBQQTIOGRI-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(C(c2ccc([N+](=O)[O-])cc2)c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOMFFTZBKYVUOE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVHPMDSJWIAEPB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFPBFJRJMQTGX-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQBATNWFUOSZGW-UHFFFAOYSA-N", "SMILES:CCCCCC1CC(=O)c2cc(C3(C(F)(F)F)N=N3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQMBQMFXPKAJC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(C(=O)c3cccc(O)c3)n2)ccc1O"]}
{"name": "17-beta-hydroxysteroid dehydrogenase 14", "synonym": ["L-fucose dehydrogenase"], "xref": ["CHEMBL.TARGET:CHEMBL3712868"], "id": "UniProtKB:Q9BPX1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDLZOOWBSJEFI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(C(=O)c3ccc(F)c(O)c3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APAAQEJITASAPV-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)c1cccc(-c2ccc(O)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULSOVVFSKZABL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc(O)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIARVBICPPOCG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACRZIJAMHSRKJJ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(F)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBODGLPEPYXYOF-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(F)c(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OESDFRIOBRBPRO-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2cccc(O)c2F)n1)c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYIOPRSVFGMQV-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2cccc(O)c2F)n1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDIMTZCJOPCTRD-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(O)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXJGGXQOVJKPLS-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2cccc(O)c2F)n1)c1c(O)ccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQMKOPCOVGJBHD-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cccc(-c3ccccc3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3974385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQDOLGRRAMZFJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKKCJDNMCSKRW-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2cccc(C(=O)c3ccc(F)c(O)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3965905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARNJLIVMSEHNU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFGZWXPLZZCXQO-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2cccc(O)c2)n1)c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEFVEBVLOKRRRG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cccc(C(=O)c3ccc(F)c(O)c3)n2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUNBHCDMBSYOQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSEYMSKBBXVHMZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBYQLSDAWWWXGV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)c3ccc(F)c(OC)c3)nc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFQXAVZIVVNJHJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1ccc(-c2ccc(O)c(F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNRJQPSMOUKTRE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGTTYULSLJWGD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccsc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVJBJSXILIWMII-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1cccc(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMLPWJQBCDATP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(=O)c3ccc(F)c(O)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQWYRPHEOYYOK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1cccc(Oc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLXJPWRKQQRFFZ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2cccc(O)c2F)c1)c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMGZSGLPKMLCPV-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1O)c1cccc(-c2cccc(O)c2F)[n+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVLTLLEEOTBNC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)c3ccc(F)c(O)c3)nc2-c2ccc(O)c(C)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYXSGVKUSGYPHV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)c3ccc(F)c(O)c3)ccc2-c2cccc(O)c2F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGLYTRDSFIYAQW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)c1cc(CO)cc(-c2cccc(O)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYOLLIRAAWGDJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(F)cc2F)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBBUQXCLPLUDT-DUXPYHPUSA-N", "SMILES:Cc1c(C(=O)O)coc1/C=C/c1ccc(Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPPGBVYRDUVQD-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1C(=O)c1c(O)cc(C)c(OC)c1C(=O)Cc1c(OC)c(C)cc2oc3cccc(OC)c3c(=O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3577208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHQDXVISQSJGT-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1C(=O)c1c(O)cc(C)c(OC)c1C1=C(c2c(OC)cccc2OC)c2c(O)cc(C)c(OC)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3577209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFHEWKMPBBGIW-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1C(=O)c1c(O)cc(C)c(OC)c1CC(=O)c1c(OC)c(C)cc(O)c1C(=O)c1c(OC)cccc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3966698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYOCGBKLTMGWME-BMRADRMJSA-N", "SMILES:CC(C)=CCc1c(O)c(C(=O)CC(C)COC(=O)/C=C/c2ccccc2)c(O)c2c(-c3ccccc3)cc(=O)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3921246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJQWORQRPDYKRS-KGQWDEOMSA-N", "SMILES:CCc1ccc(/N=C2\\S/C(=C\\c3ccnc(Nc4ccc(C(=O)O)cn4)c3)C(=O)N2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNYUTNQZVRGMN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKYPXFBQABKRKC-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]nc2oc(=O)c3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAICWLVUAKEPB-CSKARUKUSA-N", "SMILES:O=C(/C=C/N1CC2CC1CN2c1ccccn1)c1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3960590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYASROKHWMJSNK-UHFFFAOYSA-N", "SMILES:COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQOPRUXRGLXURF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3897031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDVGYJZVBMSCFU-XUJYPJAKSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3976694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDVGYJZVBMSCFU-HVWQDESWSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJDGSFKFOEAPA-FPOJHQRRSA-N", "SMILES:CCCCC1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c(C)cc(O)cc2C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLOSWARLISUMJ-PUHABZHSSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUDAXVKEGMCPI-CSQIJOFWSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJYAQIFFOMZKFU-KFFZLYEBSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@@H]1NCC(CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWWYAHWHHNCHO-FGHAYEPSSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXWJWUHPBOISOI-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGBYDCIOWTBCJ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDLRLHMIGGBTJJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2c(nc1C(F)(F)F)nn1ccc(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNIBTMYYNGXPM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2c(nc1C(F)(F)F)nn1c(-c3ccc[nH]3)cc(-c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOONOXQJJVQMEB-VUPVVXEESA-N", "SMILES:COCCOc1ccc(NC(=O)N(O)C2N(c3ccc(Cl)cc3)C(=O)N(CC(=O)N/N=C/C=C/c3ccc(C)o3)C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNAPBTNJWJQQDB-VUPVVXEESA-N", "SMILES:COCCOc1ccc(N2C(=O)N(CC(=O)N/N=C/C=C/c3ccc(C)o3)C(C)(C)C2N(O)C(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKZIEPEKQVMTF-GKLDQLIVSA-N", "SMILES:Cc1ccc(/C=C/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)C(N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXRLVXHFDMWQE-MSQMLLKSSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](CC(=O)NO)OC(=O)c3ccccc3)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJYINBQFXCAPI-WENCSYSZSA-N", "SMILES:C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccc(F)c3)cc2O[C@H]1CN(C)C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYGWXSATBUBER-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQFIEGBCRKQND-UHFFFAOYSA-N", "SMILES:COc1nn2cc(-c3ccc(C(F)(F)F)cc3)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYUQSXUEPZTIEG-UHFFFAOYSA-N", "SMILES:COc1nn2cc(-c3ccc(OC(F)(F)F)cc3)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKCLNFBWHOFDDT-UHFFFAOYSA-N", "SMILES:COc1nn2cc(-c3ccc(Cl)cc3)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWUCTKGHKECPG-RGUAOFKASA-N", "SMILES:CN(C)c1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)O)C[C@H]12"]}
{"name": "Shiga toxin subunit A", "xref": ["CHEMBL.TARGET:CHEMBL3879822"], "id": "UniProtKB:Q9FBI2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:622"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219568", "category": ["biolink:ChemicalEntity"], "name": "GUANINE", "xref": ["InChIKey:UYTPUPDQBNUYGX-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]cnc2c(=O)[nH]1"], "synonym": ["Guanine", "2-aminohypoxanthine", "C.i. no. 75170 (guanine)", "Ci 75170", "Guanine", "Guanine", "Valacyclovir hydrochloride, guanine-", "Valganciclovir hydrochloride impurity b"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3924676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBEVHISYPCOBAY-CMDGGOBGSA-N", "SMILES:CCCSCCNCCNC(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXEWCJPQBRCKEB-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccccc1NC(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJBHMIDHYIBRTA-QXMHVHEDSA-N", "SMILES:CC(=O)c1ccccc1NC(=O)/C=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDQAYBDQEZJIDP-UHFFFAOYSA-N", "SMILES:O=C(NCCNCCSc1ccccc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039217", "category": ["biolink:ChemicalEntity"], "name": "TRIPTOPHENOLIDE", "xref": ["InChIKey:KPXIBWGPZSPABK-FXAWDEMLSA-N", "SMILES:CC(C)c1ccc2c(c1O)CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL205190", "category": ["biolink:ChemicalEntity"], "name": "TRIPTONIDE", "xref": ["InChIKey:SWOVVKGLGOOUKI-ZHGGVEMFSA-N", "SMILES:CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL484424", "category": ["biolink:ChemicalEntity"], "name": "3-EPIABRUSLACTONE A", "xref": ["InChIKey:HHQJBWYXBWOFJY-YLXTXNMFSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@]6(C)C[C@H](OC6=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463763", "category": ["biolink:ChemicalEntity"], "name": "TRIPTOLIDE", "xref": ["InChIKey:DFBIRQPKNDILPW-CIVMWXNOSA-N", "SMILES:CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O"], "synonym": ["Triptolide", "Triptolide", "NSC-163062"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3949551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDZSFWLPCFRASW-CPISFEQASA-N", "SMILES:C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3963020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTXDQHXXXMWDW-UHFFFAOYSA-N", "SMILES:CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NCc5cn(-c6cc7ccc(O)cc7oc6=O)nn5)c4)c(C)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDRFOMLULPHOBA-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(NC(=O)CI)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAOAJWRWOOHXNL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2cc(C(O)(c3ccccc3)c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNFSDDHWIVSKFW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2cc(-c3ccc(-c4ccccc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQONODPFXFUHM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2cc(-c3ccc4ccccc4c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STBMXWORHXFHES-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(N=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPWMTTOBCUDJQB-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(-n2cc(C(O)(c3ccccc3)c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTJASCIWLSXEZ-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(NC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMCLTAARQYTXLW-UHFFFAOYSA-N", "SMILES:C#CC(O)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280323", "category": ["biolink:ChemicalEntity"], "name": "BENZOXAZOLINONE", "xref": ["InChIKey:ASSKVPFEZFQQNQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3922564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCPICHNPPUOWKZ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc(=O)c3ccc(OCC(=O)NCCCCCCNc4c5c(nc6ccccc46)CCCC5)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFVAJPUHGJFXKV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc(=O)c3ccc(OCC(=O)NCCCCCCCCN4CCCC4)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXJMOWWFQFYEP-NRFANRHFSA-N", "SMILES:O=C(O)[C@H](Cc1ccccc1)NCCc1nc(CO)cc2c1[nH]c1ccccc12"]}
{"name": "P-selectin", "xref": ["CHEMBL.TARGET:CHEMBL3879832"], "id": "UniProtKB:P98106", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZJOXTPQQSSFBP-FQEVSTJZSA-N", "SMILES:O=C(OCCCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1"]}
{"name": "Outer membrane protein MIP", "xref": ["CHEMBL.TARGET:CHEMBL1667669"], "id": "UniProtKB:Q70YI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:446"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3930292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWLHSSIHRTCQU-IBGZPJMESA-N", "SMILES:O=C(OCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3965352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXYJARAWTZWPL-BLIXFSHQSA-N", "SMILES:Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPXOGJOCYNAIHQ-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccncc2)=C(c2ccc(F)cc2)c2ccccc21"]}
{"name": "Proteasome subunit beta type-5", "xref": ["CHEMBL.TARGET:CHEMBL1944494"], "id": "UniProtKB:O55234", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRTICURLEQIPRO-UHFFFAOYSA-N", "SMILES:c1ccc(CCN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUZVSHLJVHGDP-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CC(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)C(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCRWKOZMQLEEC-UHFFFAOYSA-N", "SMILES:c1cncc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVMILHEPYUCKZ-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3985200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYOYSFFWXAVCM-YHARCJFQSA-N", "SMILES:CCN(CC)CCNC(=O)C1C/C(=C\\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTNYFWLMHLLANJ-XGICHPGQSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)N=C2C(Br)=CC(Br)=CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEFARZTJBKCAV-JYRVWZFOSA-N", "SMILES:CC1=CN2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJFXAEKETUFDRW-KAMYIIQDSA-N", "SMILES:CN(C)c1ccc(/C=C2\\N=C3C=CC=CN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODMBPNLTEDZJOK-ZROIWOOFSA-N", "SMILES:O=C1/C(=C/c2ccc(Br)cc2)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611941", "category": ["biolink:ChemicalEntity"], "name": "4'-METHOXY-AURONE", "xref": ["InChIKey:WPHKUMCSOVGQCK-GDNBJRDFSA-N", "SMILES:COc1ccc(/C=C2\\Oc3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKVAIQHPABZFEW-GHXNOFRVSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)N=C2C=CC(Cl)=CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZDMNGGVEQKPNF-XFXZXTDPSA-N", "SMILES:O=C1/C(=C/c2ccc(Br)cc2)N=C2C=CC=CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNXLUYIRCUQLDJ-XFXZXTDPSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)N=C2C=CC=CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKELTBDHQCZECM-RAXLEYEMSA-N", "SMILES:COc1cccc(/C=C2\\N=C3C=CC=CN3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYNKQYZWYZTND-RAXLEYEMSA-N", "SMILES:COc1ccc(/C=C2\\N=C3C=CC=CN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCJHXKCUVVSENC-RAXLEYEMSA-N", "SMILES:COc1ccc(OC)c(/C=C2\\N=C3C=CC=CN3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUXZWORJTHNEJI-GHXNOFRVSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)N=C2C=CC(Br)=CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGVFUFFEHBAUON-OOCSTFOJSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)/C=C/[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3921142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDCYAYSUZPKGW-ONNQBUSKSA-N", "SMILES:CC(C)C[C@@H](/C=C/[N+](=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNMPKMOYOSYDNW-BIZPYBIZSA-N", "SMILES:C[C@@H](/C=C/[N+](=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBOYQNUSRICHT-WQHODERWSA-N", "SMILES:CC(C)C[C@@H](/C=C/[N+](=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBJUJIJDVFEFD-WQHODERWSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/[N+](=O)[O-])Cc1ccccc1"]}
{"name": "Rhodesain", "synonym": ["Cysteine protease"], "xref": ["CHEMBL.TARGET:CHEMBL4188"], "id": "UniProtKB:Q95PM0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:31286"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3909400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDEWSOQYXYREJT-MLSGGZHRSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)NC(CCC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOZMNRGZCPXXRF-GCAPNOEVSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOEPKMXCAXGRTC-MDPXRTRCSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CCSC)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXBGEDJHMMSNV-WQCVUYAWSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(NC(=O)[C@H](CCCCN)NC(C)=O)C(C)CC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHNXBHNDRVOBCZ-SMVRORCHSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CSC(C)(C)C)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3986240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVEPRBJNVGAKBC-LERQKOLHSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CCC(C)C)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJDRQHVETZFMR-CEBJVZGWSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIDOHGMDIVVDI-SMVRORCHSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(Cc1cccs1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3897409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFOZPIWCKPOSH-IIHXXPHPSA-N", "SMILES:CSCCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNZRRNVUURMCE-KPDUGJHJSA-N", "SMILES:CCCCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACOIDIVFSHVEI-VTGDPKQBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOJIWUXUFBYLNP-LNHQQYEQSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)NC(Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEULPYFQEQBMEA-QLWMCANXSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)NC(CSC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVMXANSGNSDKQQ-SVQJPWBESA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)NC(Cc1ccccn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQAUKRVDCPDRT-ILKZYURPSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)NC(COC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKVFVQPAANCXIL-FJVFSOETSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSIJYOFJNDFHGL-UHFFFAOYSA-N", "SMILES:Cc1nccn1-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFLVPJXKWCRQK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1cc(Nc2ncc(F)c(N(Cc3ccccc3C#N)c3cc(CO)ccc3C)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJURNQWJCOZRNA-DEOSSOPVSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)CC(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOOCCMKMNTXLIK-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2occc2n1CC(=O)c1ccccc1"]}
{"name": "N-acetyltransferase Eis", "xref": ["CHEMBL.TARGET:CHEMBL3879870"], "id": "UniProtKB:P9WFK7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1410785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOIJTDPRZVSUQO-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1612166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTKASWKKCILJO-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1538832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVNEFPVCFTATI-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZDSFFVEZDVJK-UHFFFAOYSA-N", "SMILES:CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)C1Nc1cccc(-c2cn(C[Se]c3ccccc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZOXCSCNJJNOH-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cccc3ccccc23)coc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRCZYYIADSBJAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2coc3ccccc3c2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3895634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLAQYQPPGFPSV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2coc3ccccc3c2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16312", "category": ["biolink:ChemicalEntity"], "name": "4'-METHOXYFLAVONE", "xref": ["InChIKey:OMICQBVLCVRFGN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3ccccc3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL307856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXAJQVDUHKDEL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3ccccc3o2)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJKWXDPKDNEEKV-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc3c(c2)OCO3)oc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3890273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELWZPJOAQKSJQ-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cccc(O)c2)cnc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUGAYQQZEKWORM-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cc(O)cc(O)c2)cnc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDECNCIGYOGUGX-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(O)c(O)c2)cnc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEXSKVZDAEAOT-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)cnc2c(OCc3ccccc3)cccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSLUGJGDOITNSK-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cccc3ccccc23)cnc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFDGYHUYFZTCR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc3ccccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3909384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPRCIGUCMLOYRQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc3ccccn3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGICRFJYVEVIP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3ccccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBVDGADOJPRFL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3ccccn3c2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHBZXSHEIDNMX-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc3c(c2)OCO3)cnc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWYSPNCDRPTFB-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVCTRGYNMJAKC-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Cl)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMWVGZCJZVTMS-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2cc(=O)n3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFCUULYXAZPBO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)n3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLXLEUDLPKISQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)n3ccccc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQMAOWFPATUQJ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc3c(c2)OCO3)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGVUTRILHWQDDM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)n3ccccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBGXGOPTFUZSAK-UHFFFAOYSA-M", "SMILES:CCCCCCCn1c(COc2c(OC)ccc3cc4[n+](cc23)CCc2cc3c(cc2-4)OCO3)nc2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOXYKHRWEBKXEN-AWEZNQCLSA-N", "SMILES:C[C@H](N)C(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXSBAVYCAXUKN-KRWDZBQOSA-N", "SMILES:O=C([C@@H]1CCCN1)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOPWCDJBVPMVLJ-FQEVSTJZSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXKRHROIHCRIA-UHFFFAOYSA-N", "SMILES:NCCC1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXSBAVYCAXUKN-QGZVFWFLSA-N", "SMILES:O=C([C@H]1CCCN1)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1972466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPRAGQJXBLMUEL-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1"]}
{"name": "Histone-lysine N-methyltransferase EHMT2", "xref": ["CHEMBL.TARGET:CHEMBL2169718"], "id": "UniProtKB:Q9Z148", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMPKMTDYPOAEEH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Nc1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLPWWAZBULMGSC-UYOCIXKTSA-N", "SMILES:O=C1/C(=C/c2cn(CC3CCCCC3)c3ccc(Br)cc23)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJJWRURBBYWDQ-GXHLCREISA-N", "SMILES:CCCCn1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBCKGYSXAORVOF-ZWSORDCHSA-N", "SMILES:CCn1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3921707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDOGVBARESRHII-XRVIQIRUSA-N", "SMILES:Cn1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMSFCJSWMVLNH-NYAPKIOYSA-N", "SMILES:COc1ccc2c(c1)c(/C=C1\\Oc3cc(O)cc(O)c3C1=O)cn2Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUCFEYWPYLZJF-OCKHKDLRSA-N", "SMILES:CCCCn1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2cccc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3974624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSUMRVJNHPFLEH-AQHIEDMUSA-N", "SMILES:COc1ccc2c(c1)c(/C=C1\\Oc3cc(O)cc(O)c3C1=O)cn2CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3259861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYDOPVXCSXLMF-ZBKNUEDVSA-N", "SMILES:CCCCn1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2cc(OC)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJGKQXIVAXXUTP-NDENLUEZSA-N", "SMILES:CCCCn1c(C)c(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTBQLHGUHRZHN-UKWGHVSLSA-N", "SMILES:CCCCn1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2cc(C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAJKIRPDVOVALH-OCKHKDLRSA-N", "SMILES:CCCCn1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2cccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAHCNCVNSLMQAR-RMORIDSASA-N", "SMILES:COc1cccc(Cn2cc(/C=C3\\Oc4cc(O)cc(O)c4C3=O)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBBJOPVEPACOL-AFPJDJCSSA-N", "SMILES:O=C1/C(=C/c2cn(Cc3cccc(Br)c3)c3ccccc23)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKHXTFNHWFZMP-YVNNLAQVSA-N", "SMILES:O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWYWHFKBQHXGJ-UKWGHVSLSA-N", "SMILES:CC(C)=CCn1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLBYIOAULCPEQ-YVNNLAQVSA-N", "SMILES:O=C1/C(=C/c2cn(CC3CCCCC3)c3ccccc23)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFDIQBBWVOEGI-NDENLUEZSA-N", "SMILES:CCCCn1c(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWIMOKERKGKKB-GRSHGNNSSA-N", "SMILES:CCCCn1c(/C=C2\\Oc3cc(O)cc(O)c3C2=O)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQEYQSXPNJGVBJ-APSNUPSMSA-N", "SMILES:Cn1c(/C=C2\\Oc3cc(O)cc(O)c3C2=O)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZVPGMCGPXCQO-FVFSBHJXSA-N", "SMILES:C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1cc(OC)c(O)c(OC)c1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3913115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRSJAOIIWZUIAB-NSWCWGQASA-N", "SMILES:COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2C)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3949874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJVOBQHHQSQIMW-ZUOKHONESA-N", "SMILES:C=CCc1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3922119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITDJJDXDVFCAP-WNSKOXEYSA-N", "SMILES:C=CCc1cc(OC)c(O[C@@H](C)[C@H](OC(C)=O)c2ccc(OC)c(OC)c2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL464123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRMZKOOCNBRGQT-ZUOKHONESA-N", "SMILES:C=CCc1cc(OC)c(O[C@H](C)[C@@H](O)c2ccc3c(c2)OCO3)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3895193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWVKIBNZXPURCC-CQSZACIVSA-N", "SMILES:C=CCc1cc(OC)c(O[C@H](C)Cc2ccc3c(c2)OCO3)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL259731", "category": ["biolink:ChemicalEntity"], "name": "LICARINE A", "xref": ["InChIKey:ITDOFWOJEDZPCF-OTBILJLCSA-N", "SMILES:C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3601519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMXMKSFJQLFOSO-HKKFXGGESA-N", "SMILES:COc1cc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL481044", "category": ["biolink:ChemicalEntity"], "name": "ELEMICIN", "xref": ["InChIKey:BNWJOHGLIBDBOB-UHFFFAOYSA-N", "SMILES:C=CCc1cc(OC)c2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3954390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRODTGGKTHWULW-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)c2nc3cc(C#N)ccc3n2Cc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGOPFQWTTXWMFD-UHFFFAOYSA-N", "SMILES:N#Cc1c(N2CCCC2)c2ccc(N3CCCC3)cc2n2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJKXVZISGWNZQG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJPPPHWOSHFCK-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(C)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHHJDMLWIBQBI-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)N(C)CCc2ccc(OC)cc2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGTOMYDOXFEBBN-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NCCc2ccccc2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKXLUIXLCLTKK-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NCCc2ccc(O)cc2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQAPMDBDKZMBAL-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NCCc2ccc(OC)cc2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJOJXBINGHCMEX-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NCCc2ccc(O)c(OC)c2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCVTYXVGYHSDCE-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NCCc2ccc(OC)c(OC)c2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZAMBZLVSUFQD-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)OCCc2ccc(O)cc2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLDXYHZRFRHITH-CQSZACIVSA-N", "SMILES:C[C@]1(CO)Oc2c(O)cc3ccc(=O)oc3c2C=C1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3955985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBBBADNUYMXEU-OAHLLOKOSA-N", "SMILES:COc1cc2ccc(=O)oc2c2c1O[C@](C)(CO)C(O)=C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3922851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVVXRQLPQMLRNH-UHFFFAOYSA-N", "SMILES:C=C(C)C(O)Cc1c(O)c(OC)cc2ccc(=O)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3959279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUNNFDHHSHSKMY-LLVKDONJSA-N", "SMILES:C=C(C)[C@H]1Cc2c(c(O)cc3ccc(=O)oc23)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL500233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKZDFKLGDGSGEO-PABQPRPFSA-N", "SMILES:O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL459415", "category": ["biolink:ChemicalEntity"], "name": "SCANDOSIDE", "xref": ["InChIKey:ZVXWFPTVHBWJOU-AWQYILTISA-N", "SMILES:O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](O)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL461910", "category": ["biolink:ChemicalEntity"], "name": "ASPERULOSIDE", "xref": ["InChIKey:IBIPGYWNOBGEMH-DILZHRMZSA-N", "SMILES:CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@@H]32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3897457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZXWNKPYSIVFNM-YZKHSXCESA-N", "SMILES:CCCCCCCCCCCC/C=C\\CC/C=C\\CCCCCCCCCCCCC1=C[C@H](C)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3927163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKYGQVDOOMAHJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXGAXPCCGFHDX-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2c1C(c1ccc(F)c(Cl)c1)c1c(C)n[nH]c1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJIRTJXCKSBRDG-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2c1C(c1ccc(F)c(F)c1)c1c(N)n[nH]c1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLAIUOJBVWWLOO-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccc(Cl)c2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOHXUKJFWJNNY-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2c1C(c1ccc(F)c(F)c1)c1c(N)n[nH]c1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICVALQWGWQPDM-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3909480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAVYMJYILCOFIR-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2c1C(c1ccc(F)c(Cl)c1)c1c([nH]c(=O)[nH]c1=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKOZOBNKGCZYHT-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2c1C(c1ccc(F)c(F)c1)c1c(C)n[nH]c1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3974564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCFGRWWTVPIOB-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2c1C(c1ccc(F)c(Cl)c1)c1c(N)n[nH]c1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKKAFOEYAYEPD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2c3c(C)n[nH]c3Oc3[nH]nc(N)c32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYZFCOLDZJOODH-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2c1C(c1ccc(F)c(Cl)c1)c1c(N)n[nH]c1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMOSJIYZCZLKA-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2c1C(c1ccc(F)c(F)c1)c1c([nH]c(=O)[nH]c1=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3930308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCXLIEBLGOODDF-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2c1C(c1ccc(F)cc1)c1c(C)n[nH]c1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXATDRQTJETRE-NOOLENRPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNDGYSZOHZMSV-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWACPZEEIZDMF-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(F)cc2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3930106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKFVMSFSUCNAC-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(Cl)cc2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPHQPVHEUGTIV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(C3CC3)c3cc(N4CCNCC4)c(F)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTOHJYNHNQKRR-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cccc(F)c2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAHCNLRWMOFRW-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cccc(Cl)c2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXNSYTWOWPCTIG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cn(C3CC3)c3cc(N4CCNCC4)c(F)cc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504936", "category": ["biolink:ChemicalEntity"], "name": "HERNANDEZINE", "xref": ["InChIKey:FUZMQNZACIFDBL-KYJUHHDHSA-N", "SMILES:COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3951445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHABMDYFFOPIKB-ZHACJKMWSA-N", "SMILES:CCOc1ccc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013119", "category": ["biolink:ChemicalEntity"], "name": "RIGOSERTIB SODIUM", "xref": ["InChIKey:VLQLUZFVFXYXQE-USRGLUTNSA-M", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)[O-])c2)c(OC)c1.[Na+]"], "synonym": ["Rigosertib sodium", "On-01910.na", "Rigosertib sodium", "ON 01910 SODIUM", "ON 01910.NA", "ON-01910", "ON-01910 SODIUM", "ON-01910.NA", "ON01910 SODIUM", "SYB C-1101", "Estybon", "Rigosertib sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJCQGRHXZXBTAZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCOc1ccc(-c2noc3ccccc23)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRZQMQCOBKRAY-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2nccc3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYHLMSFGMIYGI-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cc3ccccc3cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOJQVWBENPULA-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccnc3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDQBVPXGICYVJR-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ncc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3897218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXUAHLLFAFWCF-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cnc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3976856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHWJBRDTOVHUIW-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccc3cccnc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKRNNNAGQLCWNT-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2nc3ccccc3o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCYLNVINPBFEFB-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2nc3ccccc3s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCRVAAHURKFSNP-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDPAFXUWUCWBW-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cccc(C(F)(F)F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOAHUPMLALESQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccc(C(F)(F)F)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOBECQLVLZGIW-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cc(C(F)(F)F)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GREGEUCGFKPDRT-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3889779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTJOAMGQUVUPEB-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1F)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVICREDFQQJBFY-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(F)c1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKQHUBNARZWDMS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBZPQPZHWIEXBQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFJZNWHZVHFPNG-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3978250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXSVMSMRJTFPZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)N2CCC(F)(F)C(Oc3ccc4ccccc4n3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOISMCPNVMISAY-SFHVURJKSA-N", "SMILES:O=C(c1nccc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHCPVBTBFAYDP-SFHVURJKSA-N", "SMILES:O=C(c1ccnc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCFUTSTUHACKF-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(C(=O)N2CCC(F)(F)C(Oc3ccc4ccccc4n3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYBYVQOKVCZREF-KRWDZBQOSA-N", "SMILES:COc1ccc(F)c(C(=O)N2CCC(F)(F)[C@@H](Oc3ccc4ccccc4n3)C2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYOTUPOITWOPU-JWNPUDRZSA-N", "SMILES:CC1=CCC[C@H]2[C@](C)(Cc3cc(O)cc(Sc4ccccc4C(=O)O)c3O)[C@@H](C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBDHHKLJYSCEH-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc(O)cc(Sc2ccccc2C(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMZRNVNHHEEKU-HEKOIHICSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(Sc2ccccc2C(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUFXQDJZVXBSFR-YNYGSYSMSA-N", "SMILES:O=C1C[C@@H](c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)Oc2c1c(O)c([C@H](CCc1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1)c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(O)c2[C@@H](CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3890894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQBTBNIQIVDFM-FZGRVUFLSA-N", "SMILES:O=C1C[C@@H](c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)Oc2c1c(O)c([C@H](CCc1ccc(O)cc1)c1ccc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(O)c2[C@@H](CCc1ccc(O)cc1)c1ccc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3970661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBEJGGHQAJGWBV-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)C1=C(O)C(=O)c2c(O)c(O)cc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3939917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJENQWQXZQCLHL-PVBKFEAWSA-N", "SMILES:C=C1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(C)=C3[C@H](OC(C)=O)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3891123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWMVXFITCRKKST-UHFFFAOYSA-N", "SMILES:CCCN(CC(=O)N(CCC)CC(=O)N(CC(=O)N(CC(=O)N(CCC)CC(=O)N(CC(=O)N(CC(N)=O)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)C(=O)CNCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPBMAWUCOAHPQ-IURAFAQNSA-N", "SMILES:CC[C@H](C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLHDQCHPUTDBQ-IURAFAQNSA-N", "SMILES:CC[C@H](C)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)CC)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)CC)C(=O)CNCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLJFEURRBSLTM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2ccc(-c3cn4ccc[n+]4[n-]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3986558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWXHMXFPPTLCQ-LFIBNONCSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/c1ccc3[nH]ccc3c1)CC2"]}
{"name": "Stathmin", "xref": ["CHEMBL.TARGET:CHEMBL3879843"], "id": "UniProtKB:P16949", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKSEPNXKJWVTO-AFJGUQMISA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNBSEOHDTNDGOV-AFJGUQMISA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@H]1OCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTPFQLGVAHAGQ-AFJGUQMISA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@H]1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3909237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNOZOUHFGZKGNT-AFJGUQMISA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCNJDYPITVHEN-AFJGUQMISA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@H]1OCc1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMUYYXBVNBIBEW-FNGOHVFLSA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@H]1OCc1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGEOMAUWSLBELS-AFJGUQMISA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@H]1OCc1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVMZECHAZYIMZ-IBLCTQAQSA-N", "SMILES:Cc1cc(CO[C@@H]2[C@H](O)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNOZOUHFGZKGNT-ANYOLZDRSA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDWSIQSDTWFRQU-ANYOLZDRSA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](F)[C@H]1OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUENOOLCQKCDDB-ANYOLZDRSA-N", "SMILES:[N-]=[N+]=N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3930511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXGXLWIKGTNOF-ANYOLZDRSA-N", "SMILES:N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVCREFNDLDKHC-SGPHYXEKSA-N", "SMILES:CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNVADMKXAQCFP-WNAOHANSSA-N", "SMILES:COC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBLXVIRCXAIGL-WNAOHANSSA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](Sc2nc[nH]n2)[C@H]1OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSQSAQVJYBYDHR-WCPNNMOOSA-N", "SMILES:Cn1ncnc1S[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3977508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAQAEWBPCIXLCR-WCPNNMOOSA-N", "SMILES:N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](Sc2ncc[nH]2)[C@H]1OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYIRQSQIXHNBI-KRWDZBQOSA-N", "SMILES:CCCC(=O)Oc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHAGRLZWSZQJKK-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3985941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJOZFAFEQVQFJI-MOJAZDJTSA-N", "SMILES:NC[C@H]1N[C@@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJOZFAFEQVQFJI-KCDKBNATSA-N", "SMILES:NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJOZFAFEQVQFJI-KAZBKCHUSA-N", "SMILES:NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFYHYHZGDNWFIF-KAZBKCHUSA-N", "SMILES:OC[C@H]1N[C@H](CO)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3908596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJIFIKOVCMCTP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2cn3cc(Br)ccc3n2)ccc1O"]}
{"name": "Dual specificity protein kinase CLK1", "xref": ["CHEMBL.TARGET:CHEMBL1075280"], "id": "UniProtKB:P22518", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWZQOWNCFVYXHK-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEIBYSKWURQJA-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTFGXOKFZFZQTP-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APJODNDBBZDIBK-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDNOUNIRBXSIOK-UHFFFAOYSA-N", "SMILES:CCCCNCC(O)COc1cc(OCCc2cccc(Cl)c2)c2c(=O)c3ccccc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3978094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNLMTUJOBKZNNF-UHFFFAOYSA-N", "SMILES:CCCCNCC(O)COc1cc(OCCc2ccc(Cl)cc2)c2c(=O)c3ccccc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSBXYXIRHDBQBW-UHFFFAOYSA-N", "SMILES:CCCCNCC(O)COc1cc(OCCc2cccc(Cl)c2)c2c(=O)c3cccc(OC)c3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIWWKMTCQJEPQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPKNQIMVQSMLB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3cccc(C)n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSQBSYFNCZMREY-ZDUSSCGKSA-N", "SMILES:COC(=O)C1=Cc2cc([N+](=O)[O-])ccc2N([C@@H](CO)C(=O)OC)C1"]}
{"name": "Cysteine protease ATG4B", "xref": ["CHEMBL.TARGET:CHEMBL1741221"], "id": "UniProtKB:Q9Y4P1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1496397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTFWVDUNXYYJT-UHFFFAOYSA-N", "SMILES:Cc1sc2nc(C3CCCCC3)nc(SCC(=O)N3CC(=O)Nc4ccccc43)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559337", "category": ["biolink:ChemicalEntity"], "name": "7-DESHYDROXYPYROGALLIN-4-CARBOXYLIC ACID", "xref": ["InChIKey:XCSLJQFPTAZKDV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3905419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWWHQZCOAQXCNH-UHFFFAOYSA-N", "SMILES:CCCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJZIGWITVRSKZ-UHFFFAOYSA-N", "SMILES:CCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3985281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPSBNWXUVVYAL-UHFFFAOYSA-N", "SMILES:CCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3976173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPXGHFYTXGGJG-UHFFFAOYSA-N", "SMILES:CCCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWQFFOZVVZGKK-UHFFFAOYSA-N", "SMILES:CCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOFRDWFVHUCTTH-UHFFFAOYSA-N", "SMILES:CCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZWNLCIKJHOTC-CGLBZJNRSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=S)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXHOPLWYCKWXJL-CGLBZJNRSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=S)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=S)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPXUJVGIFPXOM-CGLBZJNRSA-N", "SMILES:C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=S)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHTRBRRAADVASO-UHFFFAOYSA-N", "SMILES:c1cnc2c(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKPKDTNLXGOYIC-UHFFFAOYSA-N", "SMILES:c1cnc2c(N3CCN(CCCCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTMDWIJTHPEMP-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYYDQHBKIHQHEB-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTIHFRFPTXZGH-WNOSTQBWSA-N", "SMILES:CC(C)(C(=O)NC1CCCCC1)N(C(=O)Cc1ccc(O)cc1)[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSWAUHPWHRBDT-FICKONGGSA-N", "SMILES:CC(C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccc1)[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSCLTMPYCQAAC-WNOSTQBWSA-N", "SMILES:CC(C)(C(=O)NC1CCCCC1)N(C(=O)Cc1ccc(F)cc1)[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKINYJURYSMCU-UGWFNHDDSA-N", "SMILES:COc1ccc(CC(=O)N([C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCc2ccccc2)C(C)(C)C(=O)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVYVVDBICUUUPU-QXOULVPSSA-N", "SMILES:CC(C)(C(=O)NC1CCCCC1)N(C(=O)Cc1ccc(O)cc1)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N(C(=O)Cc1ccc(O)cc1)C(C)(C)C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKOPDWUJDQYLF-UHFFFAOYSA-N", "SMILES:CC1=C(CC(=O)O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNTCWNVEGSCKBN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCNC(=O)CC1=C(C)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNAAARDYYHWRJZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)CC1=C(C)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVWCEJPZZLXLT-UHFFFAOYSA-N", "SMILES:COc1c(C)c(CC(=O)O)c(OC)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAMUPUDMSEHJB-UHFFFAOYSA-N", "SMILES:CCOC(=O)CC1=C(C)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWBBLYMTXFSEH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCCNC(=O)CC1=C(C)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXCNCUHJRIDASC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCNC(=O)CC1=C(C)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWYDIKQETQZMNH-YBRSRGPFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEWMRXFTLEBBX-SRIMJGGQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLGDLHMXKCHMJI-FPIZFERNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMEJKHYECRGPMG-LWPCJIQNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJUUYVYTWHGWBP-YBRSRGPFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYRMZKWZLGRIMO-UYIUJKAVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDVXHVRXKSMRH-YBRSRGPFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUUGNLWHOYQEPC-SRIMJGGQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFANMLHIQNLPO-ORHCINLRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUZWLUDUGGKIRP-SRIMJGGQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKVCXNXLJYHZQH-UYIUJKAVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTRVLBYNUGWXMV-ORHCINLRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSLURLWOLGOYLV-YBRSRGPFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLYMGHOFLJGCLQ-FFCWOFPRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJWHGAEENPGOZ-SBGYASGUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSVDFNDDUIRPE-GUPLPALNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFWAXUVTIEFRE-ZUQPWEBUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2360534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWMJRJCSZMXHZ-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1cc(-c2ccccc2)sc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOOPZVQMLHPFM-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)SCc1c-2[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUGRMQJUZCBEC-PCBTVDAYSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](F)C34OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@@H]35)CC[C@]42C)[C@@]1(C)CCC(=O)NCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDKOLPRDQQUJPD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(Br)c(NC(=S)NC(=O)c2ccccc2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1424505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQXQPVNRFHHAS-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)N1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBWJADYFSHGGRO-UHFFFAOYSA-N", "SMILES:C#CCN1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1522852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABKKIHXIMHPKJH-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccc(C(=O)O)o2)ccc2c3c(c(=O)oc12)CCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3894105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZJGYVBMHZKQSK-JGPKDBRGSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4C3=CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUQAUTBHSZAMGX-HIBPFCMCSA-N", "SMILES:C=CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCc3cc(C(=O)Nc4cccnc4C)ccc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGDZKRTZJOREBE-GYBXLDJFSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCC)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADBWQEWMJROLFZ-HKTRNRTOSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OC)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRWPJROUOTULB-HIBPFCMCSA-N", "SMILES:CCCCC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOUBLWHMLGKBC-FTIQDDARSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5ncccc5C)ccc4[C@H]3[C@@H](O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZNWPKBXQLCIT-FQMQIHGHSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cnccc5C)ccc4[C@H]3[C@@H](O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYAJJJRXKGJPB-FQMQIHGHSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOCQWYVXBLIRDI-KJOSVMAWSA-N", "SMILES:Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3909248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLEOABKAHZYTNM-SXRKIBQPSA-N", "SMILES:Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C#C[Si](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMTIZOWUNLHWIW-HNLOTZDTSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYQOJLFEBHIOB-PXIDWENMSA-N", "SMILES:Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHASHNOJJFSLI-FFOCVCMNSA-N", "SMILES:Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZNXWIKBKGBPX-FQMQIHGHSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5ccncc5C)ccc4[C@H]3[C@@H](O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPFYNYRHHMJFG-DLIGHSALSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cncc(C)c5)ccc4[C@H]3[C@@H](O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHOQUWOASSCOOG-FIIJTSBOSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]2[C@@H]3[C@@H](O)C[C@]3(C)[C@@H](O)CC[C@@H]23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNGPPDCJVQJQX-GYBXLDJFSA-N", "SMILES:Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C#CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYAJJJRXKGJPB-DDWAMLCISA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@H](O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTLJWKUZWUDXMD-VJRZSFLMSA-N", "SMILES:C=CCOC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCc3cc(C(=O)Nc4cccnc4C)ccc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEBMYAFXXDBRD-LUOXVKAHSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCc3ccc(Cl)cc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYVUGEOSBXUEQL-LUOXVKAHSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCc3cccc(Cl)c3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGCSQRNHYKNRID-VKIGOHPVSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCc3ccccc3Cl)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAWJZQKAGPVRMT-LUOXVKAHSA-N", "SMILES:CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCc3ccccc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3986721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCVDJCVCCXOGB-QGZVFWFLSA-N", "SMILES:Fc1ccc(OC2CCC2)cc1-c1ccc2c(c1)CC[C@H](CCc1nnn[nH]1)O2"]}
{"name": "Free fatty acid receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL2052036"], "id": "UniProtKB:Q7TMA4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMQJYHLIUACCG-UHFFFAOYSA-N", "SMILES:O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1ccccc1c2=O"]}
{"name": "Indoleamine 2,3-dioxygenase 2", "xref": ["CHEMBL.TARGET:CHEMBL3627587"], "id": "UniProtKB:Q6ZQW0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHONZILMMZKIQL-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(Cl)cc2-n2c1nc1ccccc1c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXBMVQSPFHEBPB-UHFFFAOYSA-N", "SMILES:O=C1c2c(Cl)cccc2-n2c1nc1ccccc1c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNIGSYVPVQBQOJ-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)ccc2-n2c1nc1ccc(F)cc1c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRHLXNRAFXVHOY-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-n2c1nc1ccc(F)cc1c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPHXCCBDRGBRF-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Br)ccc2-n2c1nc1ccccc1c2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1098875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXBGZQXHNVNPFT-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)ccc2-n2c1nc1ccccc1c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL312537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZRZFCUYHAAAE-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3970026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMKDEZDYOVOKFP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYPQOTKHGUTJQO-YWEYNIOJSA-N", "SMILES:O=C1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQHNNWACZDZXIP-UQCOIBPSSA-N", "SMILES:O=C1NC(=O)/C(=C/c2cc(Cl)cc(Br)c2O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXGMUNPLTDCCLX-UYTYNIKBSA-N", "SMILES:OC[C@H]1O[C@@H](c2nc(-c3ccc4ccccc4c3)c[nH]2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"name": "Glycogen phosphorylase, liver form", "xref": ["CHEMBL.TARGET:CHEMBL2568"], "id": "UniProtKB:P06737", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGQTBOHSOZKLJ-RKQHYHRCSA-N", "SMILES:OC[C@H]1O[C@@H](c2nc(-c3ccccc3)c[nH]2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3976749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEUJCORBCJZKPT-RPWUZVMVSA-N", "SMILES:C=CC[C@@]12CCN[C@@H]1n1c3nc4ccc(OC)cc4cc3c(=O)c3cccc2c31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDRXFVYVJHTNQV-DHIUTWEWSA-N", "SMILES:COc1ccc2nc3c(cc2c1)c(=O)c1cccc2c1n3[C@H]1NCC[C@@]21CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZJBGFAPGRRDX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(C(n2ccc3ccccc32)n2ccc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOBETIKNPQCED-UHFFFAOYSA-N", "SMILES:c1ccc(C(n2ccc3ccccc32)n2ccc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHPUICSWNODXHH-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C(n1ccc2ccccc21)n1ccc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKIKENQKVUOYCS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(n1ccc2ccccc21)n1ccc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASQLFWSCXLJJEJ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(n2ccc3ccccc32)n2ccc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIANEQRYPYEDL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc3cccc(O)c3c(=O)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGHHCZONGRVNSD-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXMYQOILUKHRF-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)C(=O)c2ccc3c(c2)c2ccccc2n3Cc2ccc(Cl)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3967165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWWHNDPRWBCGMI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C(=O)c2ccc3c(c2)c2ccccc2n3Cc2ccc(Cl)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJPBASBEJOSQG-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1nnnc1CCC(N)(CO)CO.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGKHQANBNZQGL-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1nnnc1-c1ccc(C(O)CC(N)(CO)CO)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZJXKVJEFBKFY-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)NCCCn1ccnc1"]}
{"name": "Lipoprotein lipase", "xref": ["CHEMBL.TARGET:CHEMBL3064"], "id": "UniProtKB:P11151", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTCHOYQEJRIXGP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1603154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKUTVOMSFLPOMO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBGWPCADLKGFKD-UHFFFAOYSA-N", "SMILES:CC1(C)CC1(C(=O)NCCCCN1CCOCC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTXJGAIMKPLBE-UHFFFAOYSA-N", "SMILES:CC1(C)CC1(C(=O)NCCCn1ccnc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKBCOWYHNJXJC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(O)cc1)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFUYDUYVVDPRN-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(S)cc1)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQJLQZBRQPZBAW-UHFFFAOYSA-N", "SMILES:CC1(C)CC1(C(=O)NCCCc1csc(N)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGBMYBTVGBVIQ-UHFFFAOYSA-N", "SMILES:Cc1cccnc1CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVQXYTVXOAJAE-UHFFFAOYSA-N", "SMILES:CC1(C)CC1(C(=O)NCCNc1cccnc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOICLPGGHCPJM-VCHYOVAHSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN3CCCCC3)c(O)c1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZPBMHHRNRRCU-CYNCNOBISA-N", "SMILES:COC(=O)C1(C)OC[C@H]2O[C@@H](OC3CCC(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4N4C(=O)c5ccccc5C4=O)CC3)[C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTOYXAUMDZZCK-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCCCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOFRMAGNNIWBNW-YTTGMZPUSA-N", "SMILES:CCCCCCCCCCCCNc1nc2ccccc2nc1Oc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOIWFQJWKKPATQ-SANMLTNESA-N", "SMILES:CSCCc1c(-c2cccnc2)nn(-c2ccc(Cl)c(Cl)c2)c1OCCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGFCNRTUWRREZ-SANMLTNESA-N", "SMILES:CSCCc1c(-c2cccnc2)nn(-c2ccc(Cl)c(Cl)c2)c1OCCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGHVEMYLAAVDDT-VWLOTQADSA-N", "SMILES:CSCCc1c(-c2cccnc2)nn(-c2ccc(Cl)c(Cl)c2)c1OCCCC(=O)N[C@@H](Cc1cccnc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPHAEMRSGLPMZ-VWLOTQADSA-N", "SMILES:CSCCc1c(-c2cccnc2)nn(-c2ccc(Cl)c(Cl)c2)c1OCCCC(=O)N[C@@H](Cc1ccncc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILACUJVCYVADOG-MHZLTWQESA-N", "SMILES:COc1ccc(C[C@H](NC(=O)CCCOc2c(CCSC)c(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEAVFNECAIDDB-NDEPHWFRSA-N", "SMILES:CSCCc1c(-c2cccnc2)nn(-c2ccc(Cl)c(Cl)c2)c1OCCCNC(=O)[C@H](Cc1ccccc1)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVODGFIHVAISLK-MHZLTWQESA-N", "SMILES:CSCCc1c(-c2cccnc2)nn(-c2ccc(Cl)c(Cl)c2)c1OCCCNC(=O)[C@H](Cc1ccccc1)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKLCQGUUCRNOJ-NDEPHWFRSA-N", "SMILES:CSCCc1c(-c2cccnc2)nn(-c2ccc(Cl)c(Cl)c2)c1OCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZBFCVVTZMJWLK-MHZLTWQESA-N", "SMILES:CSCCc1c(-c2cccnc2)nn(-c2ccc(Cl)c(Cl)c2)c1OCCCNC(=O)[C@H](Cc1ccc(F)cc1)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZLWQDVQLAYJR-LJAQVGFWSA-N", "SMILES:COc1ccc(C[C@H](NC(C)=O)C(=O)NCCCOc2c(CCSC)c(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKISYNXNLQGAGL-NDEPHWFRSA-N", "SMILES:COc1ccc(C[C@H](NS(C)(=O)=O)C(=O)NCCCOc2c(CCSC)c(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOASXRXGWPKWPM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZAEBHIXYBHKA-FCXQYMQBSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39346", "category": ["biolink:ChemicalEntity"], "name": "DEMETHOXYFUMITREMORGIN C", "xref": ["InChIKey:LQXCSIKDOISJTI-BZSNNMDCSA-N", "SMILES:CC(C)=C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3884139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPHRCQUGNAGVIB-FWJAZRMLSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3885413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEIYXEFMCIRZHC-MWGWWEMPSA-N", "SMILES:COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL551369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXYHMMJJCTUMY-GWXUGYLUSA-N", "SMILES:COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3884338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZYIOVONACKLU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTJBCHIJUZFPZ-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2cc3cc(-c4ccc5ccccc5c4)ccc3s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPMOKZTSRVKRD-MCXRAWCPSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](N)[C@@H](O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCOYBQVEVSNNB-UHFFFAOYSA-N", "SMILES:O=C(O)CCCNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVVFVQVGXPEQO-YYACYCFASA-N", "SMILES:COc1ccc(S(=O)(=O)N(CCCCCNC(=O)CCCCC(=O)NCCNC(=O)CCN(CCNC(=O)OC(C)(C)C)CCC(=O)NCCNC(=O)CCCCC(=O)NCCCCCN([C@H](CO)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)[C@H](CO)C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYVXRVPPPPZTI-AMHZRHSASA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](CC)c2ccccc2)C(=O)OC)cc1"]}
{"name": "G protein-coupled receptor 88", "xref": ["CHEMBL.TARGET:CHEMBL3399910"], "id": "UniProtKB:Q9GZN0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSKSCNRPHFQNM-WMISUKIASA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@H](C)c2ccccc2)C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSKSCNRPHFQNM-RXJZEZJSSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIGBJXIBGOGHP-IVAFLUGOSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)Cc2ccccc2)C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRVJJWHCSDUZQL-VABKMULXSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CNC(=O)CI)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAFPNWXSULKEB-FKBYEOEOSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CI)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWOUMIQAOKAID-CHQNGUEUSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQNVLPDIGPVKR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Oc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMJCIGRKJCCHT-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl"]}
{"name": "Mitogen-activated protein kinase kinase kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL5914"], "id": "UniProtKB:Q9Y2U5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase kinase kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL5970"], "id": "UniProtKB:Q99759", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Wee1-like protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL5095"], "id": "UniProtKB:P0C1S8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEQZWEXWOFPKOT-BYRRXHGESA-N", "SMILES:COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\\C[C@H](C)OC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3884602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYYGMZIYOXBTFZ-KPKJPENVSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)N3CCCC3)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRBQDZBHQKYNBS-WVJVNDDNSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVUCTMHUIQXQJH-NUDDCADSSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMJLXFVPHXHQPW-POQMMNIGSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOLVKRURYSCNMO-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1c(C)n(Cc2ccc(-c3cn(CCCCCCC(=O)NO)nn3)cc2)c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMFJLCDTHAPTK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NCCCCCCC(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVNZYSGUYVVTLL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)NCCCCCCC(=O)NO)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL423904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLJHCZVZIBYMD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCNC(=O)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTZFPKZMDCHLV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCNC(=O)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAWUCSRMKAXHIP-JOCHJYFZSA-N", "SMILES:CCCCCCCCCCCCCCCNC(=O)[C@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLOOTJVMJNUEG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCNC(=O)c1cc(O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJJOQZFOABAOPA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCNC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWULFOCTLISUDK-SLAXOHTASA-N", "SMILES:C=CC(=O)NC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCCC=CCCC[C@@](C)(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPAHMANWVUMWAW-BRUCPKIESA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCCC=CCCC[C@@](C)(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWRMSBVXBVQHJ-SLAXOHTASA-N", "SMILES:C#CC(=O)NC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCCC=CCCC[C@@](C)(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWIVHLALFQXKI-NOXQYKFESA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CNC(=O)CCl)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCCC=CCCC[C@@](C)(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3194273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEPAPNDTBMXHG-WOJGMQOQSA-N", "SMILES:CN(C)c1ccc(/C=N/Nc2nncc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVSHYXWTWBGQIP-RQZCQDPDSA-N", "SMILES:COc1cc(/C=N/Nc2nncc3ccccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBPHZBQDJSOLL-VZUCSPMQSA-N", "SMILES:OC/C=N/Nc1nncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXMODCVCHGPFW-ISHFZTIBSA-N", "SMILES:COc1ccc(F)c(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKFHWFKTJZPFPV-WBNPGJJWSA-N", "SMILES:COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNLPZWKDLMCCAZ-ZGTOLYCTSA-N", "SMILES:O=C1NC(=O)C([C@@H]2CCOc3cc(Oc4ccc(C(F)(F)F)cc4Cl)ccc32)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGHUCSVYRLZAQT-XPCCGILXSA-N", "SMILES:Cc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCC[C@H]2C1SC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBYMTCQQMFOHB-AATRIKPKSA-N", "SMILES:O=C(CCCCCCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1963575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIAFBZYKYDZOOH-FYJGNVAPSA-N", "SMILES:C/C(=C\\CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKRHSJUCDPVJA-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccco3)nc3c2Cc2ccccc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZDBMXYCMDTLM-OCSSWDANSA-N", "SMILES:CCOc1ccc2c(c1)Oc1cc(O)ccc1C21c2ccccc2C(=O)N1/N=C/c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMYJMQYBFPMQV-OCSSWDANSA-N", "SMILES:CCOc1ccc2c(c1)Oc1cc(O)ccc1C21c2ccccc2C(=O)N1/N=C/c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIEDWTVHYICCHG-OCSSWDANSA-N", "SMILES:CCOc1ccc2c(c1)Oc1cc(O)ccc1C21c2ccccc2C(=O)N1/N=C/c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJVPRMZSAPJMM-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cccc(Nc3cccc(C(F)(F)F)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQPEFFNYGRQOJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMWPTWSKZWNVFU-XSFVSMFZSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CCN(c4ncccn4)CC3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEGLCPCHZZSTI-ZXVVBBHZSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQHVUKLVCBJBLM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCC(Oc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)ccc3C)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2144065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKJMWHULJIOKPJ-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCC1Cc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KANSLBHUOUYNNX-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCC1Cc1ccccc1)n1ncc(C(O)(c2ccccc2)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2263356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVPHVCPUVDXOQ-GOSISDBHSA-N", "SMILES:COc1ccc(S(=O)(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVPHVCPUVDXOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2Cc3[nH]c4ccccc4c3CC2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHTZSHFDYVGELL-VXMGAWDISA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCn1cc(COc2ccc(N3CCN(C(=O)c4cc5c(s4)-c4ccccc4S(=O)(=O)C5)CC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1509398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVIJPELUPZUEJX-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3S(=O)(=O)C4)CC2)cc1"]}
{"name": "Pyridoxal kinase", "xref": ["CHEMBL.TARGET:CHEMBL1075181"], "id": "UniProtKB:O00764", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECCEJQVMYZNIT-UHFFFAOYSA-N", "SMILES:CC(CCCCCC(=O)Nc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWSSNYICGMASG-UHFFFAOYSA-N", "SMILES:CCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYJHFUANCOXWEC-UHFFFAOYSA-N", "SMILES:CCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPOSHCGPNXORK-UHFFFAOYSA-N", "SMILES:C=CCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVSKXOPTQXRXPL-UHFFFAOYSA-N", "SMILES:C#CCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL435160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPQTBNAWODKHL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(Cc1ccccc1)C(=O)NO)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHEJLIRVCLXQMR-UHFFFAOYSA-N", "SMILES:CCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIBNKUUJXGHEOE-UHFFFAOYSA-N", "SMILES:CCCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTUNJZJLLGFME-UHFFFAOYSA-N", "SMILES:CCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYHPXRQAHYJBN-XMMPIXPASA-N", "SMILES:CC(C)[C@H](C(=O)O)N(CCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCDOFQMQJCFGF-XMMPIXPASA-N", "SMILES:CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFGHXXQQOIPKU-NCRNUEESSA-N", "SMILES:CC(C)[C@H](C(=O)O)N(CCNC(=O)c1cccc(C(=O)NCCN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPMXJRBHCOULJI-NCRNUEESSA-N", "SMILES:CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1cccc(C(=O)NCCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSIZUMJRKYHEBR-QGZVFWFLSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO)C(C)C)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL403296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTHUKURTASAUTM-UHFFFAOYSA-N", "SMILES:CCCCC(O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1"]}
{"name": "Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5212"], "id": "UniProtKB:Q5TCQ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLXKTTGROYBSDM-SREVYHEPSA-N", "SMILES:CC(C)OC(=O)/C=C\\n1cnc(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPTWCLNDNAEARJ-FPLPWBNLSA-N", "SMILES:CC(C)OC(=O)/C=C\\n1cnc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNLDCGDRKOMDH-SFVQTZLNSA-N", "SMILES:CCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCYXDOHDLQVXQI-MVQOHUNQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUZKLPQFYSGWKS-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(N4CC(=O)NS4(=O)=O)c3)cc2)cc1"]}
{"name": "Sphingomyelin phosphodiesterase", "xref": ["CHEMBL.TARGET:CHEMBL2760"], "id": "UniProtKB:P17405", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKXQSZQYPCEFD-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3CP(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVBKQCGLPFWSB-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(-c2ccc(C(=O)Nc3ccccc3CP(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOVZUGRELEBSO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1CP(=O)(O)O)C12CC3CC(C1)CC(c1ccccc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCWAVUNUCPGIN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)Nc3ccccc3CP(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBELXNOEMMMUMM-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)P(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUXLLNPVGVALJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)P(=O)(O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQXHQXSSSMZRO-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)P(=O)(O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWACJBXVJZLGPX-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)P(=O)(OCC)OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFIPRZRQXHTJHG-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)P(=O)(OCC)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNAUDBPYHCWEDW-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)P(=O)(OCC)OCC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3986821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURFPOZKEDUXDR-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)P(=O)(O)OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWZNLLEGIWWSS-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)P(=O)(O)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3977727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWOIWUMPISPRK-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)P(=O)(O)OCC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJTYLNRTSUAAIV-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)C(F)(F)P(=O)(OCC)OCC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFUYGUUHJQLLW-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)C(F)(F)P(=O)(O)OCC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZUAFMKOLBLGRJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)C(F)(F)P(=O)(O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIAHWABRIZEACD-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3P(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLNUJSMDMJSKC-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3P(=O)(O)OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3909075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZZIRJQDJSBQIF-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3P(=O)(OCC)OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCLNRKVCLJUZCE-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(P(=O)(O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLZCATVQKSEXOO-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(P(=O)(O)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQXNWWLLNUIBG-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(P(=O)(OCC)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRTPNLRDOALTQR-UHFFFAOYSA-N", "SMILES:CCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(P(=O)(O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOPADHGNOCCQHR-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(P(=O)(O)OCC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEZCTNCDHHSZCH-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(P(=O)(OCC)OCC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQNDSNKGKVUWAW-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(CP(=O)(O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3974404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNNXRGBFCDCUHP-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(CP(=O)(O)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLEPSWNTKDDKRQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3P(=O)(OCC)OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIRBUAFUOHICHV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3CP(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDZSYIBCGXCTM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1CP(=O)(O)O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPVAQIJFFNGIZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1CP(=O)(O)O)c1ccc(-c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRQZQNWAWBDOE-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(CP(=O)(O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQJSTRUJHORRC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1CP(=O)(O)O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVHJHRZJAADSQP-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3CP(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPXDSGGBUVEUNQ-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(-c2ccc(C(=O)Nc3ccccc3CP(=O)([O-])OCC[N+](C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXUJABUICRMZPM-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)P(=O)(OC)OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWHVIPATXEIHG-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)CC(F)(F)P(=O)(OCC)OCC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQVOWFFKYAEKRI-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3P(=O)(O)OCOC(=O)C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFKOYEJLCKJAQA-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSCDZQQBEOIQLT-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)C(F)(F)P(=O)(OCC)OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3889767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKGBTCVRQSYMB-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)C(F)(F)P(=O)(OCC)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3921155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRSZLHGDUIPLP-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)C(F)(F)P(=O)(O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMLXYALPOQMLS-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)C(F)(F)P(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYXSXQRCGEROY-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3CCP(=O)(OCC)OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSBYHDCNZWZAG-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(CCP(=O)(OCC)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRWZNBYWQFHZPW-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3CCP(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVIUSEYJCAZZNQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(CCP(=O)(O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPBFCSMYHJIIAZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(CCP(=O)(O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDXSSNLUJMARIU-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(P(=O)(O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMCUXRWOAAVBC-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(CP(=O)(OCC)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLALGBYYCUGZFN-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(CC)c3cccc(C(F)(F)P(=O)(OCC)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCGNOFVQPSQSPR-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3ccccc3C(F)(F)P(=O)(OCC)OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOJAXZJIADFKJH-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3ccccc3C(F)(F)P(=O)(OC)OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3965974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRJIFYIGJPGQMD-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3ccc(C(F)(F)P(=O)(OCC)OCC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMCDQZLONMOHL-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3ccc(C(F)(F)P(=O)(OC)OCC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHINMMHRQYSBT-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3cccc(C(F)(F)P(=O)(OCC)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOKTRANTHGTTC-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3cccc(C(F)(F)P(=O)(OC)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSLAVKKIDMHMJY-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3cccc(C(F)(F)P(=O)(O)OCC)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVAPTPQMOGGOLT-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3ccc(C(F)(F)P(=O)(O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXFVTQRKDGRDC-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3ccccc3C(F)(F)P(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVAAXVXDCIITFI-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3cccc(C(F)(F)P(=O)(O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCZWMHJJEKLBMT-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(CCP(=O)(OCC)OCC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHZBJJRBPXOONG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4C)c4ncnc(N)c34)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1963249", "category": ["biolink:ChemicalEntity"], "name": "ULIMORELIN", "xref": ["InChIKey:WGYPAJVJMXQXTR-ABNZCKJZSA-N", "SMILES:C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1"], "synonym": ["Ulimorelin", "Ulimoreline", "Ulimorelina", "Ulimorelin", "Ulimorelin", "TZP-101 FREE BASE", "Ulimorelin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL327980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUISGSHWFJION-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3973956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIGCMHCLWNTJDG-CUFBHMEESA-N", "SMILES:CC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUSBMAFTPFJNNF-GUBZILKMSA-N", "SMILES:NC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"name": "Thyrotropin releasing hormone degrading enzyme", "xref": ["CHEMBL.TARGET:CHEMBL3988623"], "id": "UniProtKB:F1SH20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRIQFIHWHSMMB-CIUDSAMLSA-N", "SMILES:NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSNGYDACLOQMCZ-ULQDDVLXSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCC(=O)N3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOGGGGGHQZXITR-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Cl)c2ncc(-c3ccc(Cl)c(Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104951", "category": ["biolink:ChemicalEntity"], "name": "ALADORIAN", "xref": ["InChIKey:FPWBHFYYVSNIFZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(C(=O)C(=O)O)CCS2"], "synonym": ["Aladorian", "ARM-036", "ARM036", "S-36", "S-44121-1", "S-441211", "S36", "S44121-1", "Aladorian"]}
{"name": "Ryanodine receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4403"], "id": "UniProtKB:Q92736", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKKLXCRMAXNIJF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(C(=O)CCN1CCC(Cc3ccccc3)CC1)CCS2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDACFCFMMWTLTA-STBZDDNXSA-N", "SMILES:CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\\[C@@H](C)[C@H](C)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRMTCOIIOWJRD-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1no[n+]([O-])c1C(=O)c1ccccc1"]}
{"name": "Cation channel sperm-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3886121"], "id": "UniProtKB:Q91ZR5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQGCDMXFBOTMW-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)c1no[n+]([O-])c1C(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWHDQBWWAZCRT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)c(Cl)c1)c1no[n+]([O-])c1C(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSQYWYIWDAJVPA-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)c1no[n+]([O-])c1C(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRRAVIZKRSNCH-UHFFFAOYSA-N", "SMILES:Cc1conc1C(=O)c1no[n+]([O-])c1C(=O)c1nocc1C"]}
{"name": "Cation channel sperm-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1628462"], "id": "UniProtKB:Q8NEC5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621988", "category": ["biolink:ChemicalEntity"], "name": "TUCIDINOSTAT", "xref": ["InChIKey:SZMJVTADHFNAIS-BJMVGYQFSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1"], "synonym": ["Tucidinostat", "Tucidinostat", "Chidamide", "Epidaza", "Tucidinostat", "CS-055", "CS055", "HBI-8000", "Epidaza in china", "Tucidinostat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKAQDLTOCVNHK-ZDUSSCGKSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1ccc(N)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3197209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIHTCZCKHEBBF-RIYZIHGNSA-N", "SMILES:CCN(CC)c1ccc(/C=N/n2nnnc2N)c(O)c1"]}
{"name": "Biliverdin-producing heme oxygenase", "synonym": ["Bacteriophytochrome heme oxygenase"], "xref": ["CHEMBL.TARGET:CHEMBL3988622"], "id": "UniProtKB:Q9AH50", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:487"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFPTOKOQARXST-UHFFFAOYSA-N", "SMILES:CN(CC(=O)O)c1nc2ccc([N+](=O)[O-])cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGRSNSKJFXSUTL-RIYZIHGNSA-N", "SMILES:COc1cc(/C=N/Cc2ccco2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHDGCSPZQBXEB-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc(F)cc2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1576426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCYNHAUTSYTNA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CCC(=O)O)c(C)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL244625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGSVTIOPRMVDLA-NTUHNPAUSA-N", "SMILES:CN(C)c1ccc(/C=N/NC(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2429920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQINSVOOIJDOLJ-UHFFFAOYSA-N", "SMILES:O=C(O)CN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUSZAVSEQSIOX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZMKTFWOCNJXGI-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1486949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGFBMFSKBFSOA-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(-c2cccc(C(=O)O)c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3952939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHFPPONXAFBPE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1429497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIYLIRBEDSOPG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPEYPFYIBGIHQW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(CN2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRNOGSRXJDCVQJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBQILXPMNUJTD-UHFFFAOYSA-N", "SMILES:NCc1ccc2c3c(cccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDXDZGPNMBEGLS-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVFSAFMBXOSBY-NTEUORMPSA-N", "SMILES:O=[N+]([O-])c1cccc(/C=N/Nc2ccc(S(=O)(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHSYYLCXQKCYQX-UHFFFAOYSA-N", "SMILES:CC(N)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1569545", "category": ["biolink:ChemicalEntity"], "name": "CRIDANIMOD", "xref": ["InChIKey:UOMKBIIXHQIERR-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2ccccc2c(=O)c2ccccc21"], "synonym": ["Cridanimod", "Cridanimod", "Cridanimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUNWUAOFPNAKK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXJXEKGTSLXCMM-UHFFFAOYSA-N", "SMILES:NCC(=O)N(O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBLOWDPQKVZJW-UHFFFAOYSA-N", "SMILES:NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3193802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAJKAMWBPBMNJM-WEVVVXLNSA-N", "SMILES:Oc1ccccc1/C=N/Nc1nn[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPAEDWUZRTUDE-QDEBKDIKSA-N", "SMILES:Nc1nnnn1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNBLBYTUNQVQIB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(CCO)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOMKZHKJXNVOB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(CC(=O)C(=O)O)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXPQFMWYXYNKI-KPKJPENVSA-N", "SMILES:CN(C)c1ccc(/C=N/n2nnnc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPZLZHCMOLECK-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(=O)c2cc3c(=O)n(CC(=O)O)c(=O)c3cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFMUIJSWDDJFSN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3909487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZZUFAXFPXXPPS-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL395102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBYWTLIASGXCDV-ZHACJKMWSA-N", "SMILES:O=C(O)/C=C/C(=O)Nc1ccc(Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJIOGAZAFHGGEP-RGVLZGJSSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLWOMHWWAJFMG-XFQWXJFMSA-N", "SMILES:N=C(N/N=C\\c1cccnc1)N/N=C\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTLRZTUJSMCBHB-UHFFFAOYSA-M", "SMILES:CC(=O)CC(=O)[O-].[Li+]"]}
{"name": "Free fatty acid receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL3886125"], "id": "UniProtKB:B2GV46", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLEFZEWKMQQZOA-UHFFFAOYSA-M", "SMILES:CCCCCCCC(=O)[O-].[K+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3971228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTDIZULWFCMLS-UHFFFAOYSA-N", "SMILES:N.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252557", "category": ["biolink:ChemicalEntity"], "name": "GLYCOLIC ACID", "xref": ["InChIKey:AEMRFAOFKBGASW-UHFFFAOYSA-N", "SMILES:O=C(O)CO"], "synonym": ["Glycolic acid", "2-hydroxyacetic acid", "Glycolate", "Glycolic acid", "Hydroxyacetic acid", "NSC-166"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL559917", "category": ["biolink:ChemicalEntity"], "name": "SODIUM TRIFLUOROACETATE", "xref": ["InChIKey:UYCAUPASBSROMS-UHFFFAOYSA-M", "SMILES:O=C([O-])C(F)(F)F.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3188068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCDHYPGIGFJGH-UHFFFAOYSA-M", "SMILES:CCCCC(=O)[O-].[K+]"]}
{"name": "Free fatty acid receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL5201"], "id": "UniProtKB:O14843", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500826", "category": ["biolink:ChemicalEntity"], "name": "SODIUM PROPIONATE", "xref": ["InChIKey:JXKPEJDQGNYQSM-UHFFFAOYSA-M", "SMILES:CCC(=O)[O-].[Na+]"], "synonym": ["Sodium propionate", "E281", "Sodium propionate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3921386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHLYXUIDGOFGD-UHFFFAOYSA-M", "SMILES:CC(=O)[O-].N.O=CO.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNKHNMFNCDVXIF-UHFFFAOYSA-L", "SMILES:CCCC(=O)[O-].CCCCC(=O)[O-].[K+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKLXIYWZBLSFLU-KDUKRONBSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDHSHQDLPSMNNP-JZVKEKFJSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQHJRKDKHOHUJE-IKKRQKPFSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBTWOEHBKNFRPU-HFIIHJJNSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIMIHBEDWJLCW-AHMHIRDUSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJUVDWGUUBQRKU-PHZXNMEGSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434965", "category": ["biolink:ChemicalEntity"], "name": "D-CAPTOPRIL", "xref": ["InChIKey:FAKRSMQSSFJEIM-RNFRBKRXSA-N", "SMILES:C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3890942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGGMTOYKEDKFLN-UHFFFAOYSA-N", "SMILES:CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1"]}
{"name": "Sterol O-acyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4464"], "id": "UniProtKB:Q61263", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256459", "category": ["biolink:ChemicalEntity"], "name": "TORIN1", "xref": ["InChIKey:AKCRNFFTGXBONI-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSWGFSZIPXVPM-UHFFFAOYSA-N", "SMILES:COc1cc2[nH]c3ncnc(N4CCN(C(=S)Nc5ccc(S(=O)(=O)Nc6ncccn6)cc5)CC4)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQXLPQDKAJNMQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(C(=S)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKPJMZPGJRPRD-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ncccn1)c1ccc(Nc2ncnc3c2oc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3986041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGDSMDSXNBQSLW-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ncccn1)c1ccc(Nc2ncnc3c2sc2ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575867", "category": ["biolink:ChemicalEntity"], "name": "4-CHLOROMERCURIBENZOIC ACID"}
{"id": "CHEMBL.COMPOUND:CHEMBL1219", "category": ["biolink:ChemicalEntity"], "name": "RABEPRAZOLE", "xref": ["InChIKey:YREYEVIYCVEVJK-UHFFFAOYSA-N", "SMILES:COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C"], "synonym": ["Rabeprazole", "Rabeprazole", "Rabeprazole", "Rabeprazol", "Rabeprazole", "Eraloc", "Ly-307640", "Pariprazole", "Rabeprazole", "E-3810 (PPI)", "E3810", "LY307640"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1201320", "category": ["biolink:ChemicalEntity"], "name": "ESOMEPRAZOLE", "xref": ["InChIKey:SUBDBMMJDZJVOS-DEOSSOPVSA-N", "SMILES:COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1"], "synonym": ["Esomeprazole", "Esomeprazole", "Esomeprazol", "Omeprazole s-form", "Esomeprazole", "Inexium paranova", "Omeprazole, (s)-", "A02BC05"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL595227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNENSSREQFBZGT-UHFFFAOYSA-N", "SMILES:N=C1Sc2ccccc2C2=NCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1475252", "category": ["biolink:ChemicalEntity"], "name": "TENATOPRAZOLE", "xref": ["InChIKey:ZBFDAUIVDSSISP-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1"], "synonym": ["Tenatoprazole", "Tenatoprazol", "Tenatoprazole", "Tenatoprazole", "TU-199", "TU199"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL366222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBSMMCPKFDGEO-ZETCQYMHSA-N", "SMILES:COCCNC(=N)NCCC[C@H](N)C(=O)O"]}
{"name": "N(G),N(G)-dimethylarginine dimethylaminohydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL3988621"], "id": "UniProtKB:Q9CWS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLGDVRBIRVMWOY-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCCc2ccccc2)nc(-c2ccccn2)n1"]}
{"name": "Ferrochelatase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3879831"], "id": "UniProtKB:P22830", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3991929", "category": ["biolink:ChemicalEntity"], "name": "Cerdulatinib Hydrochloride", "xref": ["InChIKey:IYULGYKOHUAYCG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3688339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKZYXHCYPUVGAF-JCNLHEQBSA-N", "SMILES:CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL281948", "category": ["biolink:ChemicalEntity"], "name": "K-252A", "xref": ["InChIKey:KOZFSFOOLUUIGY-SOLYNIJKSA-N", "SMILES:COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2376648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONPGOSVDVDPBCY-CQSZACIVSA-N", "SMILES:C[C@@H](Oc1cc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1667969", "category": ["biolink:ChemicalEntity"], "name": "SAR-407899 FREE BASE", "xref": ["InChIKey:IPEXHQGMTHOKQV-UHFFFAOYSA-N", "SMILES:O=c1[nH]ccc2cc(OC3CCNCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028663", "category": ["biolink:ChemicalEntity"], "name": "DABRAFENIB", "xref": ["InChIKey:BFSMGDJOXZAERB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1"], "synonym": ["Dabrafenib", "Dabrafenib", "Dabrafenib", "Dabrafenib", "Dabrafenib", "Gsk2118436", "GSK-2118436", "GSK-2118436A", "GSK2118436A", "Tafinlar", "Dabrafenib"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3699142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBNLJLONKAPLR-DQSJHHFOSA-N", "SMILES:CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(CN(C)C)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289601", "category": ["biolink:ChemicalEntity"], "name": "LENVATINIB", "xref": ["InChIKey:WOSKHXYHFSIKNG-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O"], "synonym": ["Lenvatinib", "Lenvatinib", "Lenvatinib", "Lenvatinib", "Lenvatinib", "E-7080", "ER-203492-00", "Kisplyx", "Lenvatinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL400402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQSSMEORRLJZLU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12"]}
{"name": "Acyl-CoA dehydrogenase family member 10", "xref": ["CHEMBL.TARGET:CHEMBL4105816"], "id": "UniProtKB:Q6JQN1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acyl-CoA dehydrogenase family member 11", "xref": ["CHEMBL.TARGET:CHEMBL4105707"], "id": "UniProtKB:Q709F0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738797", "category": ["biolink:ChemicalEntity"], "name": "ALECTINIB", "xref": ["InChIKey:KDGFLJKFZUIJMX-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"], "synonym": ["Alectinib", "Alectinib", "Alectinib", "Alectinib", "Alectinib", "AF-802", "AF802", "CH-5424802", "CH5424802", "RO-5424802", "RO5424802", "Alecensa", "Alectinib"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Peroxisomal acyl-coenzyme A oxidase 3", "xref": ["CHEMBL.TARGET:CHEMBL4105817"], "id": "UniProtKB:O15254", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-related protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4105857"], "id": "UniProtKB:P61158", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3991933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUUFLLKHNYWHKP-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084193", "category": ["biolink:ChemicalEntity"]}
{"name": "AarF domain-containing protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4105885"], "id": "UniProtKB:Q86TW2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Atypical kinase COQ8A, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5550"], "id": "UniProtKB:Q8NI60", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylate kinase 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4938"], "id": "UniProtKB:P54819", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3991934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZPJCJKUZPUFAL-UHFFFAOYSA-N", "SMILES:COCc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(N)ncnn2c1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094408", "category": ["biolink:ChemicalEntity"], "name": "NMS-1286937", "xref": ["InChIKey:SWTRIZHCIUWGAU-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3991931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSUDUUBCXJUFRL-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCC[C@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2138625", "category": ["biolink:ChemicalEntity"], "name": "AV-412 FREE BASE", "xref": ["InChIKey:ZAJXXUDARPGGOC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC(C)(C)N1CCN(C)CC1"]}
{"name": "Mitotic checkpoint serine/threonine-protein kinase BUB1", "xref": ["CHEMBL.TARGET:CHEMBL1772932"], "id": "UniProtKB:O43683", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium/calmodulin-dependent protein kinase type 1G", "xref": ["CHEMBL.TARGET:CHEMBL5258"], "id": "UniProtKB:Q96NX5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3991935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVTUOCTLAERQD-OJMBIDBESA-N", "SMILES:CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO.Cl"]}
{"name": "Cysteine--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL4105937"], "id": "UniProtKB:P49589", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase MRCK alpha", "xref": ["CHEMBL.TARGET:CHEMBL4516"], "id": "UniProtKB:Q5VT25", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase MRCK beta", "xref": ["CHEMBL.TARGET:CHEMBL5052"], "id": "UniProtKB:Q9Y5S2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase MRCK gamma", "xref": ["CHEMBL.TARGET:CHEMBL5615"], "id": "UniProtKB:Q6DT37", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-dependent kinase-like 5", "xref": ["CHEMBL.TARGET:CHEMBL1163112"], "id": "UniProtKB:O76039", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Citron Rho-interacting kinase", "xref": ["CHEMBL.TARGET:CHEMBL5579"], "id": "UniProtKB:O14578", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWLXRKVUJDJKG-VIFPVBQESA-N", "SMILES:O=c1[nH]c([C@@H]2CCCN2)nc2c1oc1ccc(Cl)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3218578", "category": ["biolink:ChemicalEntity"], "name": "BGT-226 FREE BASE", "xref": ["InChIKey:BMMXYEBLEBULND-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1"]}
{"name": "UMP-CMP kinase", "xref": ["CHEMBL.TARGET:CHEMBL5681"], "id": "UniProtKB:P30085", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Casein kinase I isoform gamma-3", "xref": ["CHEMBL.TARGET:CHEMBL5084"], "id": "UniProtKB:Q9Y6M4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCUJKPPARUPFJM-UWCCDQBKSA-N", "SMILES:N[C@@H]1CCCN(c2c(/C=C3\\SC(=O)NC3=O)cccc2-c2ccccc2)C1"]}
{"name": "Deoxycytidine kinase", "xref": ["CHEMBL.TARGET:CHEMBL2447"], "id": "UniProtKB:P27707", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "dCTP pyrophosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL3769292"], "id": "UniProtKB:Q9H773", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3184679", "category": ["biolink:ChemicalEntity"], "name": "AZD-4547", "xref": ["InChIKey:VRQMAABPASPXMW-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1"], "chembl_natural_product": true}
{"name": "DnaJ homolog subfamily A member 1", "xref": ["CHEMBL.TARGET:CHEMBL2189122"], "id": "UniProtKB:P31689", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "General transcription and DNA repair factor IIH helicase subunit XPD", "xref": ["CHEMBL.TARGET:CHEMBL4105743"], "id": "UniProtKB:P18074", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase/endoribonuclease IRE1", "xref": ["CHEMBL.TARGET:CHEMBL1163101"], "id": "UniProtKB:O75460", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase/endoribonuclease IRE2", "xref": ["CHEMBL.TARGET:CHEMBL4105932"], "id": "UniProtKB:Q76MJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241855", "category": ["biolink:ChemicalEntity"], "name": "RIGOSERTIB", "xref": ["InChIKey:OWBFCJROIKNMGD-BQYQJAHWSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1"], "synonym": ["Rigosertib", "Rigosertib", "ON 01910", "ON01910", "Rigosertib"], "chembl_natural_product": true}
{"name": "Glycine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL4105815"], "id": "UniProtKB:P41250", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Putative heat shock protein HSP 90-beta 2", "xref": ["CHEMBL.TARGET:CHEMBL4105858"], "id": "UniProtKB:Q58FF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase ICK", "xref": ["CHEMBL.TARGET:CHEMBL1163126"], "id": "UniProtKB:Q9UPZ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase kinase kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL4853"], "id": "UniProtKB:Q9Y6R4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase kinase kinase 6", "xref": ["CHEMBL.TARGET:CHEMBL1163123"], "id": "UniProtKB:O95382", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase kinase kinase kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL5432"], "id": "UniProtKB:Q8IVH8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase MARK2", "xref": ["CHEMBL.TARGET:CHEMBL3831"], "id": "UniProtKB:Q7KZI7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin-10", "xref": ["CHEMBL.TARGET:CHEMBL4105746"], "id": "UniProtKB:P35580", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin light chain kinase", "synonym": ["Myosin light chain kinase 3"], "xref": ["CHEMBL.TARGET:CHEMBL4627"], "id": "UniProtKB:Q32MK0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase NLK", "xref": ["CHEMBL.TARGET:CHEMBL5364"], "id": "UniProtKB:Q9UBE8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NUAK family SNF1-like kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL5698"], "id": "UniProtKB:Q9H093", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent 6-phosphofructokinase, platelet type", "xref": ["CHEMBL.TARGET:CHEMBL2972"], "id": "UniProtKB:Q01813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha", "xref": ["CHEMBL.TARGET:CHEMBL1795194"], "id": "UniProtKB:P48426", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase", "xref": ["CHEMBL.TARGET:CHEMBL3984"], "id": "UniProtKB:Q99640", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "cAMP-dependent protein kinase type II-alpha regulatory subunit", "xref": ["CHEMBL.TARGET:CHEMBL2221"], "id": "UniProtKB:P13861", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "cGMP-dependent protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4273"], "id": "UniProtKB:Q13976", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glycogen phosphorylase, brain form", "xref": ["CHEMBL.TARGET:CHEMBL3856"], "id": "UniProtKB:P11216", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Uncharacterized protein FLJ45252", "xref": ["CHEMBL.TARGET:CHEMBL4105933"], "id": "UniProtKB:Q6ZSR9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3186534", "category": ["biolink:ChemicalEntity"], "name": "RIVOCERANIB", "xref": ["InChIKey:WPEWQEMJFLWMLV-UHFFFAOYSA-N", "SMILES:N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1"], "synonym": ["Rivoceranib", "Apatinib", "Apatinib free base", "Rivoceranib", "YN968D1", "YN968D1 FREE BASE", "Rivoceranib"]}
{"name": "Receptor-interacting serine/threonine-protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL1795199"], "id": "UniProtKB:Q9Y572", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase SIK3", "xref": ["CHEMBL.TARGET:CHEMBL6149"], "id": "UniProtKB:Q9Y2K2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ADP/ATP translocase 2", "xref": ["CHEMBL.TARGET:CHEMBL3709670"], "id": "UniProtKB:P05141", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Structural maintenance of chromosomes protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4105890"], "id": "UniProtKB:O95347", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U5 small nuclear ribonucleoprotein 200 kDa helicase", "xref": ["CHEMBL.TARGET:CHEMBL4105972"], "id": "UniProtKB:O75643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase 24", "xref": ["CHEMBL.TARGET:CHEMBL5082"], "id": "UniProtKB:Q9Y6E0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase 26", "xref": ["CHEMBL.TARGET:CHEMBL5941"], "id": "UniProtKB:Q9P289", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase TAO1", "xref": ["CHEMBL.TARGET:CHEMBL5261"], "id": "UniProtKB:Q7L7X3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase TAO2", "xref": ["CHEMBL.TARGET:CHEMBL1075195"], "id": "UniProtKB:Q9UL54", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase TAO3", "xref": ["CHEMBL.TARGET:CHEMBL5701"], "id": "UniProtKB:Q9H2K8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity testis-specific protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5604"], "id": "UniProtKB:Q15569", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "EKC/KEOPS complex subunit TP53RK", "xref": ["CHEMBL.TARGET:CHEMBL1938223"], "id": "UniProtKB:Q96S44", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase ULK1", "xref": ["CHEMBL.TARGET:CHEMBL6006"], "id": "UniProtKB:O75385", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase kinase kinase 20", "xref": ["CHEMBL.TARGET:CHEMBL3886"], "id": "UniProtKB:Q9NYL2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3222133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYFJKQUWXSFDJ-ATVHPVEESA-N", "SMILES:CC(C)c1ccc(/C=C2\\SC(=S)N(CN3CCCCC3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSQDYGXJOOSHL-UVTDQMKNSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CN1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4093782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUDXSKINSZTAS-JLHYYAGUSA-N", "SMILES:C=CCN1C(=O)/C(=C\\c2ccc(CC)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWHNTDJIRHQIB-UVTDQMKNSA-N", "SMILES:CCc1ccc(/C=C2\\SC(=S)N(CCC(C)=O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBSWYZBWQJVAEQ-VBKFSLOCSA-N", "SMILES:CCc1ccc(/C=C2\\SC(=S)N(CN3CCCCC3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFYVMRDKKQYEW-FLIBITNWSA-N", "SMILES:CCc1ccc(/C=C2\\SC(SC)=NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKBBUUMEJPMIP-XFFZJAGNSA-N", "SMILES:CC(C)c1ccc(/C=C2\\SC(=S)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCFNVNKWVWZFT-YWEYNIOJSA-N", "SMILES:O=C1NC(=S)S/C1=C\\c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWUQEXWRIIIKB-YVMONPNESA-N", "SMILES:O=C1NC(=S)S/C1=C\\c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVXDHPADAXBMFB-YFHOEESVSA-N", "SMILES:CCc1ccc(/C=C2\\SC(=S)NC2=O)cc1"]}
{"name": "Myc proto-oncogene protein", "xref": ["CHEMBL.TARGET:CHEMBL4105894"], "id": "UniProtKB:P09416", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBVCCLULQKRKW-JLHYYAGUSA-N", "SMILES:C#CCN1C(=O)S/C(=C/c2ccc(CC)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105685", "category": ["biolink:ChemicalEntity"], "name": "AMUVATINIB HYDROCHLORIDE", "xref": ["InChIKey:IKQFRXPMBGQJGE-UHFFFAOYSA-N", "SMILES:Cl.S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1"], "synonym": ["HPK56", "HPK56 HCL", "MP-470 HCI", "MP-470 HYDROCHLORIDE", "MP-470.HCL", "MP470 HCI", "MP470.HCL", "Amuvatinib hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONYFCOVHHQLGM-UHFFFAOYSA-N", "SMILES:O=[As](O)(O)c1ccc(Cc2ccc([As](=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYUBGGXJQCFFO-JXAWBTAJSA-N", "SMILES:CCc1ccc(/C=C2\\SC(=O)N(CCCCCCNC(C)=O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAARPGWWUHCAPA-BWAHOGKJSA-N", "SMILES:CCc1ccc(/C=C2\\SC(=O)N(CCCCCNC(=O)c3ccc(Nc4ccc([N+](=O)[O-])c5nonc45)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJPYSQOCBYMCF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2ccccc2-c2ccccc2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL930", "category": ["biolink:ChemicalEntity"], "name": "GLUTAMINE", "xref": ["InChIKey:ZDXPYRJPNDTMRX-VKHMYHEASA-N", "SMILES:NC(=O)CC[C@H](N)C(=O)O"], "synonym": ["Glutamine", "Levoglutamide", "Glutamine", "L-glutamine", "Glutamine", "Glutamina", "L-glutamine", "Glutamine", "Glutamine", "Levoglutamide", "FEMA NO. 3684", "NSC-27421", "Endari", "Nutrestore", "Glutamine", "Glutamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Amino acid transporter", "xref": ["CHEMBL.TARGET:CHEMBL3562161"], "id": "UniProtKB:Q9Z1J7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL352418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMMYEEVYMWASQN-DMTCNVIQSA-N", "SMILES:O=C(O)[C@@H]1C[C@@H](O)CN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1328505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSWBWHRHAQVFM-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1"]}
{"name": "Ras-related protein Rab-7a", "xref": ["CHEMBL.TARGET:CHEMBL4105784"], "id": "UniProtKB:P51149", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233147", "category": ["biolink:ChemicalEntity"], "name": "GUANOSINE TRIPHOSPHATE", "xref": ["InChIKey:XKMLYUALXHKNFT-UUOKFMHZSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL384759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGWNDRXFNXRZMB-UUOKFMHZSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL251429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKIQIOWVKCVBP-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1"]}
{"name": "m7GpppX diphosphatase", "xref": ["CHEMBL.TARGET:CHEMBL1949488"], "id": "UniProtKB:Q96C86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMSYPMFLZBHDH-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWSXLHSNXPRZQS-ONBQKKEBSA-N", "SMILES:Nc1nc(N)c2c(OCC3CCN(C(=O)c4cccc([125I])c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWSXLHSNXPRZQS-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(OCC3CCN(C(=O)c4cccc(I)c4)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMAOXEGBJHLCSF-CQSZACIVSA-N", "SMILES:CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C)c(OC)c3)nc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAAFWNXQOYAZML-LJQANCHMSA-N", "SMILES:CC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C)c(OC)c3)nc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOQUVPRNWUTBF-QGZVFWFLSA-N", "SMILES:CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)c(C(C)C)c3)nc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNFLTVYWZJMHZ-MRXNPFEDSA-N", "SMILES:CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C3CC3)nc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFVGENLCCIDWSC-QGZVFWFLSA-N", "SMILES:CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)c(C4CC4)c3)nc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOWFIAMSTPQWIU-CYBMUJFWSA-N", "SMILES:CC[C@H]1NC(=O)N(c2ccc(Oc3cccc4c3C3(CC3)CO4)nc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUQRXVHOLHZBJQ-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(c2ccc(Oc3cccc4c3C3(CC3)CO4)nc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBJBLOEPMEJRH-MRXNPFEDSA-N", "SMILES:CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C(C)(C)C)nc2)C1=O"]}
{"name": "Voltage-gated potassium channel KCNC1", "xref": ["CHEMBL.TARGET:CHEMBL4105978"], "id": "UniProtKB:P15388", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWOWCMIMHRYMNG-UQNWOCKMSA-N", "SMILES:CCN(CC)c1ccc(/C=C/C(=O)/C=C/c2ccc(O)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOQLKLNUSWLAOV-UYSZGSBFSA-N", "SMILES:COc1cc(/C=C2\\CC/C(=C\\c3c[nH]c4ccc(Br)cc34)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPPKJVIVSBVTQP-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTMNMHIFUPOACL-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2C1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLNCTAJUFQPILE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2C1c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGSGOGMURBTEH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2C1c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVQITJCRRCZHDS-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC=C(Cl)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVYVHIKSFXVDBG-UHFFFAOYSA-N", "SMILES:CCC(C)(C)C(=O)N(O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPNLQIAEXSAEW-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNRHHKKHHDLKY-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(C(=O)N3c4ccccc4Oc4cc(C#N)ccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAROXNZLJADTLW-BLSIRIBZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDZEZPIUFYUHG-BLSIRIBZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADIINZUCAIGIRQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)Nc2cccc(-c3ccnc(N4CCCC4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVAIAGGAXGHNBW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)Nc2cccc(-c3nccc(N4CCCC4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3341861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDAYFSFWIPRJSO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(N3CCCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFSSSRXXWIDPL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC3CCN(CC(=O)OCCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)CC3)cc(OC)c3c1OCO3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWEFKVFXMLTKPV-AWYNESNJSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/c4ccc(Cl)cc4)C(N)=O)C(N)=O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDNVEFIVHLBGQ-UHFFFAOYSA-N", "SMILES:O=C(C(=S)N1CCOCC1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4105393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZPQTZIUWCQXCF-QFIPXVFZSA-N", "SMILES:C/C(N)=N\\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKBNACNRMHVLD-UHFFFAOYSA-N", "SMILES:Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc([N+](=O)[O-])c1)N2"]}
{"name": "Glucagon-like peptide 1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL1075290"], "id": "UniProtKB:O35659", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1341270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEIZMHODFOWAT-UHFFFAOYSA-N", "SMILES:Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZPERZWVAWITJ-IKXLCDCVSA-M", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNS(C)(=O)=O)O[C@@](OCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)(C(=O)[O-])C[C@@H]1O.[Na+]"]}
{"name": "Sialic acid-binding Ig-like lectin 9", "xref": ["CHEMBL.TARGET:CHEMBL4105860"], "id": "UniProtKB:Q9Y336", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sialic acid-binding Ig-like lectin 7", "xref": ["CHEMBL.TARGET:CHEMBL3603730"], "id": "UniProtKB:Q9Y286", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXZQBIREIFQJL-XYOKQWHBSA-N", "SMILES:CCn1c2ccccc2c2cc(/C=C/C(=O)CCc3ccc(O)c(OC)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25894", "category": ["biolink:ChemicalEntity"], "name": "ZINGERONE", "xref": ["InChIKey:OJYLAHXKWMRDGS-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(C)=O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4103694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWAUVWYCZLACNF-LJAQVGFWSA-N", "SMILES:Cc1ccc2nc([C@H](CC3CCCCC3)N3C(=O)CN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBMAIXZNIRXWLW-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(C#Cc4ccccc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENQYDQNNICKQT-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(C#Cc4ccsc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTEYNYPVNPKDQR-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(C#Cc4ccoc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCWGFTJRFDORDP-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXGIXVXSJROFEA-UHFFFAOYSA-N", "SMILES:c1ccc(CSc2nc(Sc3ccccn3)c3nnn(Cc4ccccc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1430895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OACAJASVXJLTAT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1"]}
{"name": "Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4105824"], "id": "UniProtKB:P21912", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFDBQUNMPUSYRP-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1492648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSJKGMPEXGXBV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZESVUWWUFOGJG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(-c2ccc(=O)n(Cc3ccccc3)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZFGYWHFZFSPFS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(-c2ccc(=O)n(Cc3ccccc3Cl)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTESRUZKQXBOLC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(-c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHENHCHUNPWCKA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWISQOBXACORH-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cc(-c3cc(C(F)(F)F)nc(S(C)(=O)=O)n3)ccc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAOZAPMIPNMBQT-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(Cn2cc(-c3cc(C(F)(F)F)nc(S(C)(=O)=O)n3)ccc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGIEBBDSMCITM-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(-c3cc(C(F)(F)F)nc(S(C)(=O)=O)n3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZKCDYNLOHIOC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(-c3cc(C(F)(F)F)nc(S(C)(=O)=O)n3)ccc2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQVPWRCSKOKXLO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(-c3cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)NC45CC6CC(CC(C6)C4)C5)n3)ccc2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDPRBUUKXKABU-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(NCc2cccc(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEVKKHALHSUMB-MVNVRWBSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZQMRTGRFDGBDE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGIRFCMSFIIJY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLVYLVZICPHKW-WIRORWGXSA-N", "SMILES:CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2cc(O)ccc2O)OC1=O"], "chembl_natural_product": true}
{"name": "3-hydroxy-3-methylglutaryl-coenzyme A reductase", "xref": ["CHEMBL.TARGET:CHEMBL3593154"], "id": "UniProtKB:Q1W675", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVJJYBLVGUHPL-STZFKDTASA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHTVJTCIDBIDQQ-STZFKDTASA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(Oc4ccccc4)cc3)SC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSMMAWCBWHEMU-HMAPJEAMSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJVDUYNFQSEJCR-HMAPJEAMSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHDWPSFUYNPAKB-KQWNVCNZSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCCc4ccccc4)cc3)SC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACVEGPSJFGJPR-KQWNVCNZSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(OCCc4ccccc4)c3)SC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZALZUKNHUMTSV-TYNNKJBBSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S/C2=N\\c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPIFHIPJEJIXAT-HXGGSSIYSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S/C2=N\\c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXHELYYYHJHDZ-HXGGSSIYSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S/C2=N\\c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPLENQTDSUBOC-TYNNKJBBSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(Oc4ccccc4)cc3)S/C2=N\\c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNAVNYUSSQXHKC-OSPJATLRSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCCc4ccccc4)cc3)S/C2=N\\c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBFAFJKHLUXHEB-OSPJATLRSA-N", "SMILES:O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(OCCc4ccccc4)c3)S/C2=N\\c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZIBLIXIWLIYBV-UHFFFAOYSA-N", "SMILES:CCCc1nc2cc(-c3ccc(OC)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWVJIKZQSPBSU-UHFFFAOYSA-N", "SMILES:CCCc1nc2cc(-c3cccc(OC)c3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGDCPKSXDTGCI-UHFFFAOYSA-N", "SMILES:CCCc1nc2ccc(-c3ccc(OC)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFVHNNYZHDYRPL-UHFFFAOYSA-N", "SMILES:CCCc1nc2ccc(-c3cccc(OC)c3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUDZUZMYZXWMG-UHFFFAOYSA-N", "SMILES:CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHPDFZTWMICKD-UHFFFAOYSA-N", "SMILES:CCCc1nc2cc(-c3ccc(O)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCSLYHBCNPHMM-UHFFFAOYSA-N", "SMILES:CCCc1nc2cc(-c3ccc(Cl)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALTXGVLFLJNZDK-UHFFFAOYSA-N", "SMILES:CCCc1nc2ccc(-c3ccc(O)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDEKFKIMTZKHTB-UHFFFAOYSA-N", "SMILES:CCCc1nc2ccc(-c3ccc(Cl)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYPQAFEPPFVGA-VAWYXSNFSA-N", "SMILES:Cc1c(CN(C)C)c2ccccc2n1S(=O)(=O)c1cccc(/C=C/C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTONDBZBMJDORG-JLHYYAGUSA-N", "SMILES:Cc1c(CN(C)C)c2ccccc2n1S(=O)(=O)c1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJUVYLRUBETEY-ZHACJKMWSA-N", "SMILES:CN(C)Cc1cn(S(=O)(=O)c2cccc(/C=C/C(=O)NO)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFORSOOAXZIENX-FMIVXFBMSA-N", "SMILES:CN(C)Cc1cn(S(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVLWIZHSAGUWJK-VAWYXSNFSA-N", "SMILES:CN(C)C(=O)c1cn(Cc2ccc(/C=C/C(=O)NO)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFJWHNFHTLBCGG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(-n2nc(C)c3c2NC(=O)CC3c2ccc(COc3cccc(Cl)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBKSZKTCPOBFR-LGMDPLHJSA-N", "SMILES:NC(=S)N/N=C(\\c1cccc(O)c1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RISJFQWXMQSRIY-QGOAFFKASA-N", "SMILES:NC(=S)N/N=C(\\c1cccc(O)c1)c1cc(Br)cc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYDKVOQNXQVKGL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2csc(N3C(=O)c4ccc(F)cc4C3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44509", "category": ["biolink:ChemicalEntity"], "name": "(E)-3,4,3',5'-TETRAMETHOXYSTILBENE", "xref": ["InChIKey:PTVAOGIYBMTHSN-AATRIKPKSA-N", "SMILES:COc1cc(/C=C/c2ccc(OC)c(OC)c2)cc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL69863", "category": ["biolink:ChemicalEntity"], "name": "PICEATANNOL", "xref": ["InChIKey:CDRPUGZCRXZLFL-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4092049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJHRILRWPBICK-YIIBBUJCSA-N", "SMILES:CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2C[C@]3(C)O[C@]3(C)[C@H](O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL179166", "category": ["biolink:ChemicalEntity"], "name": "SODIUM ORTHOVANAD"}
{"id": "CHEMBL.COMPOUND:CHEMBL1618272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSPXMVUFBBBMO-UHFFFAOYSA-N", "SMILES:N#CCCN"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4068784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHCWJWUOSNCSK-UHFFFAOYSA-N", "SMILES:NCc1ccnc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCZELALRLLXQB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C[n+]2c(C)n(C(F)F)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1740950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHUDIBZMNXWIG-UHFFFAOYSA-N", "SMILES:Cc1n(-c2ccccc2)c2ccc(Cl)cc2[n+]1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHPVKNFKBKJCE-MRXNPFEDSA-N", "SMILES:CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1621144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRTGERSEXJGDMR-UHFFFAOYSA-N", "SMILES:C=CCNCCOc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNHLYLGXBHGTBQ-UNOMPAQXSA-N", "SMILES:COc1cccc(/C=C2\\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4079127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOJRLCKWEMQNGY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOMUTATTZSWNQ-UHFFFAOYSA-N", "SMILES:CN(C)CCOCCOc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKIMXRZASLSVDJ-FPYGCLRLSA-N", "SMILES:N=C(NO)c1ccc(/C=C/c2c(N)ncc3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEEQWGNELBPYHH-UHFFFAOYSA-N", "SMILES:N=C(NO)c1cccc(C#Cc2c(N)ncc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOINPXFHOWARI-UHFFFAOYSA-N", "SMILES:N=C(NO)c1ccc(C#Cc2c(N)ncc3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUFFMKUZVDKXSF-UHFFFAOYSA-N", "SMILES:C(#Cc1cncc2ccccc12)c1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDLRHABAIUVGR-UHFFFAOYSA-N", "SMILES:Nc1nccc(Cl)c1C#Cc1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFKNLFFDCFEZRJ-UHFFFAOYSA-N", "SMILES:Nc1nnc2ccccc2c1C#Cc1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCVCQMIMPIZROC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C#Cc2c(N)ncc3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBYGEWNZPMNRV-UHFFFAOYSA-N", "SMILES:Nc1ncc2[nH]ccc2c1C#Cc1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGXZDZRPLVDKB-UHFFFAOYSA-N", "SMILES:CC1(C)CNC(c2ccc(C#Cc3c(N)ncc4ccc(Cl)cc34)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKUJWBQEMSWQBS-UHFFFAOYSA-N", "SMILES:Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C2=NCCN2CCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNXDXGWKWDGZLV-UHFFFAOYSA-N", "SMILES:Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C2=NC(C3CC3)CN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJKGYAKBXNVDB-UHFFFAOYSA-N", "SMILES:Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXMOIVSQYWNNZ-GHVJWSGMSA-N", "SMILES:N=C(N)c1ccc(/N=N/c2c(N)ncc3ccc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086620", "category": ["biolink:ChemicalEntity"], "name": "PICRASIDINE C", "xref": ["InChIKey:FNSOWPJAPJEOEO-UHFFFAOYSA-N", "SMILES:COc1cccc2c1[nH]c1c(CCC(OC)C(=O)c3nccc4c3[nH]c3ccccc34)ncc(OC)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4080697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOVQRZQIOSEMHW-OQPBUACISA-N", "SMILES:Cc1c(CCO)c(CO)cc2c1C(=O)[C@H](C)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4060455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMPUWJFHNOUNQU-UHFFFAOYSA-N", "SMILES:Cl.O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1"]}
{"name": "Oxysterols receptor LXR-beta", "xref": ["CHEMBL.TARGET:CHEMBL4105785"], "id": "UniProtKB:Q62755", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKLVXXYYYBADCG-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3ccccc31)CCn1c(-c3ccc(F)cc3)c(CO)c(CO)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2220442", "category": ["biolink:ChemicalEntity"], "name": "FLUVASTATIN", "xref": ["InChIKey:FJLGEFLZQAZZCD-VAWYXSNFSA-N", "SMILES:CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21"], "synonym": ["Fluvastatin", "Fluvastatin", "Fluvastatin", "Fluvastatine", "Fluvastatina", "Fluvastatin", "Fluvas", "Fluvastatin", "NSC-758896"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1295", "category": ["biolink:ChemicalEntity"], "name": "BUTOCONAZOLE", "xref": ["InChIKey:SWLMUYACZKCSHZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1"], "synonym": ["Butoconazole", "Butoconazole", "Butoconazole", "Butoconazol", "Gynofort", "NSC-758658"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4061160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKVGNGSTGSNVCF-HIBQRJCCSA-N", "SMILES:O=C(O)/C=C/C=C/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNNKOVJEHZGHO-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMLTBFFYPMQNZ-UHFFFAOYSA-N", "SMILES:C=CCNc1nc(Nc2cccc([N+](=O)[O-])c2)nc(OC(C(F)(F)F)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBYNKMFAKRALS-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPNHTFOOMLHLD-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccccc2)nc(OCC(F)(F)C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPIFMCLNACVAAT-GEWABHDNSA-N", "SMILES:COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYCPRQNIJVWILD-ZJQCNOOHSA-N", "SMILES:COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)[C@H](O)CCC[C@H](C)OC2=O"]}
{"name": "Activin receptor type-1-like", "xref": ["CHEMBL.TARGET:CHEMBL4105896"], "id": "UniProtKB:Q61288", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPNJMHRUZCEAP-UXBSLASESA-N", "SMILES:COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)/C=C\\C[C@H](C)OC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOVNWNANFFLFJ-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSFEJJQFJYRFU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWJJGNYTFWXXMM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBTSUJUYQYGOLI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)c(F)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOZIKVHNOFZAH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(Cl)c(F)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHUZOFNHGJRMRG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHWCHLGCVXZJP-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cc(C(=S)Nc2cc(F)c(F)c(F)c2)c(Cl)cc1Cl)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWVBRTAQHMKHCE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1ccc(CP(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFZFDFEAZHSBF-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C(C)=O)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMHJYWMCRQSSI-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOQZGUXPQCAMZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)OC(C)(C)C)nc3C)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIPOVNBLXPICFQ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1)c1c(-c2ccccc2)[nH]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MROSHFVQKSLKHX-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2[nH]c3ccccc3c(=O)c2C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPZXUDREWVGAR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZZLBUOTVLWHIU-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1c(-c2ccc(O)cc2)[nH]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLDDYVLEKRSGEA-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFCGCBNLVMSAO-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXXWSGLWGSRRH-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURLNPXCJVBKQL-LYBHJNIJSA-N", "SMILES:CN1CCN(c2cc3nc4n(c(=O)c3cc2F)CCC/C4=C\\c2ccc(NC(=O)CN3CCN(CCO)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKBXTTQYDQAPQA-PTGBLXJZSA-N", "SMILES:CN1CCN(c2cc3nc4n(c(=O)c3cc2F)CC/C4=C\\c2ccc(NC(=O)CN3CCN(CCO)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKIAZJHVQACWCX-LTGZKZEYSA-N", "SMILES:CN(C)CCNC(=O)c1ccc(/C=C2\\CCn3c2nc2cc(N4CCN(C)CC4)c(F)cc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLQUHAACJHYEK-LTGZKZEYSA-N", "SMILES:CN1CCN(c2cc3nc4n(c(=O)c3cc2F)CC/C4=C\\c2ccc(NC(=O)CN3CCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBQNKILCDFECY-NJNXFGOHSA-N", "SMILES:CN1CCN(c2cc3nc4n(c(=O)c3cc2F)CCC/C4=C\\c2ccc(NC(=O)CCN3CCN(CCO)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIBJGYYXKVIHB-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCC1NC(=N)NC2(CCCO2)C1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIBJGYYXKVIHB-IIDMSEBBSA-N", "SMILES:CCCCCCCCCC[C@H]1NC(=N)N[C@@]2(CCCO2)[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIBJGYYXKVIHB-MPGHIAIKSA-N", "SMILES:CCCCCCCCCC[C@@H]1NC(=N)N[C@]2(CCCO2)[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NODTXKHXBIVQCH-RDJZCZTQSA-N", "SMILES:CCCCCCCCCC[C@H]1C[C@@]2(CCCO2)NC(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL294264", "category": ["biolink:ChemicalEntity"], "name": "PURPURIN", "xref": ["InChIKey:BBNQQADTFFCFGB-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4071073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTAZBLSYCOAIDZ-ZQHSETAFSA-N", "SMILES:CC(=O)Oc1ccc(/C(=C(/c2ccccc2)C(C)C)c2ccc(OCCN(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNZBEIKQYOXMG-RHSMWYFYSA-N", "SMILES:COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNXXSBWPJIOWSN-DNVCBOLYSA-N", "SMILES:COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPIWUEFZXNEMEU-CRAIPNDOSA-N", "SMILES:CCOc1ccccc1C(=O)N1C[C@H](Oc2nccc(C#N)c2C)CC[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235428", "category": ["biolink:ChemicalEntity"], "name": "MAGNOFLORINE", "xref": ["InChIKey:YLRXAIKMLINXQY-ZDUSSCGKSA-O", "SMILES:COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4065147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHKHGVSRGWQPII-UHFFFAOYSA-N", "SMILES:O=C(CS)NCCCCCn1ccc2cc(Cl)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHBBMWJPPYKJI-UHFFFAOYSA-N", "SMILES:O=C(CS)NCCCCNc1c(Cl)cc(Cl)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUDWARKIBQETK-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)SCC(=O)NCCCCCn1ccc2cc(Cl)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXIBRTICHRJTOV-UHFFFAOYSA-N", "SMILES:O=C(CSSCC(=O)NCCCCCn1ccc2cc(Cl)c(Cl)cc21)NCCCCCn1ccc2cc(Cl)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCSSDJJNXTKRT-UHFFFAOYSA-N", "SMILES:O=C(CSSCC(=O)NCCCCNc1c(Cl)cc(Cl)c2cccnc12)NCCCCNc1c(Cl)cc(Cl)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEWCMPWKAJVJV-UHFFFAOYSA-N", "SMILES:O=C1COc2ccccc2N1CCCN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYPHNXBBMJRKSX-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGGNELGQIQAHB-UHFFFAOYSA-N", "SMILES:O=C1COc2ccccc2N1CCCN1CCN(c2nsc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSCKFBHTQUPRNT-UHFFFAOYSA-N", "SMILES:O=C1COc2ccccc2N1CCCN1CCC(c2noc3cc(F)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQKRYESCJYNAOI-UHFFFAOYSA-N", "SMILES:O=C1COc2ccccc2N1CCCN1CCN(c2cccc3[nH]c(=O)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHJQAYMEVPBDIB-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVVXPYPHPFFPR-GOSISDBHSA-N", "SMILES:C[C@@H](Oc1ccc(-n2ccnc2)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBVCMIZESQAPMG-HNNXBMFYSA-N", "SMILES:C[C@H](Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2cccnc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANAMCEKSRDPIPX-GFGQVAFXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKIRYSKGDEIOG-WTWMNNMUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYJNBJPGBBDAS-WMZOPIPTSA-N", "SMILES:NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKUPBSXMAALRQE-VAWYXSNFSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZIAIRLZQAQHHX-ZHACJKMWSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC=C(Cl)C2=O)cc(OC)c1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMBCGJGDJJHKV-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC=CC2=O)cc(OC)c1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBUIDFDDVZLBN-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC=C(Cl)C2=O)cc(OC)c1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLXZTYZASFXPAV-MDZDMXLPSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC(C)=CC2=O)cc(OC)c1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPLGTNRAINMCR-VAWYXSNFSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCCCC2=O)cc(OC)c1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQHYRTFZBOUAAO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3Cc4ccc(Cl)cc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBLCWNHXXXENY-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2cc(C3CC3)on2)c(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCEJSVACWMDNJW-KUBAVDMBSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)NCCS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL453539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBRBPSSMDPLLA-GECFALDLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"name": "Serine protease 1", "xref": ["CHEMBL.TARGET:CHEMBL3769"], "id": "UniProtKB:P00760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUJANPMBDVOVQH-RJGMKSLVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGTOSUUHMNKPOR-RJGMKSLVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEAMPEAZFMWFJG-UHFFFAOYSA-N", "SMILES:Cc1c(Sc2cccc(C(=O)O)n2)c2ccc(Cl)cc2n1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTYRYVXTGFVBQX-UHFFFAOYSA-N", "SMILES:Cc1c(Sc2cccc(C(=O)O)n2)c2ccccc2n1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXTWQCBLHBIKZ-UHFFFAOYSA-N", "SMILES:Cc1c(Sc2cccc(C(=O)O)c2)c2ccc(Cl)cc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QESQUQBNRUZICQ-UHFFFAOYSA-N", "SMILES:Cc1c(Sc2cccc(C(=O)O)c2)c2ccc(Cl)cc2n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFZLCHTKCDKMO-FNXNGLQNSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCNC(=O)CCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXWNRXEYNGPST-NBZOZPKRSA-N", "SMILES:CCN(CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C)CCOCCOCCOCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXLRYMPSHOVNJE-CQQZRMNVSA-N", "SMILES:CCN(CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C)CCOCCOCCNC(=O)c1cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N4)nn2)cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLULFNIYSTEDG-XUXIUFHCSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2CCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXZRHQXSDWIBGM-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3ccccc13)CC(C(F)(F)F)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYSJPLAEHRDBU-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N)c3c(nc2c1)CC(C(F)(F)F)CC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNKPQDPERXEGH-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3ccc(Cl)cc13)CC(C(F)(F)F)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNBBCDMFLYCVDB-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3ccc(Br)cc13)CC(C(F)(F)F)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHOCHQJHXNKAS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNKDWBFJKRVXJG-UHFFFAOYSA-N", "SMILES:Cc1nc2nc(Sc3ccccc3)cnc2cc1NC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTGZKSNAZZTFL-UHFFFAOYSA-N", "SMILES:O=c1cc(CSc2nnc(-c3ccccc3)n2NCc2ccc(O)cc2O)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMOWWAALQWWLJ-NUKMUHRASA-N", "SMILES:O=C(O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTRUULZFBQUZPD-OAKYPOHLSA-N", "SMILES:O=C(O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWVJVUWMSAVIY-UAJCNKRNSA-N", "SMILES:C[C@@H]1Oc2ccc3ccccc3c2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C)[C@]21C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCYDLSAMQSZVNL-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(C(c2ccc(Cl)cc2)c2c(O)c3ccccc3oc2=O)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNHALFLQYWFCS-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(C(c2ccc(Br)cc2)c2c(O)c3ccccc3oc2=O)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPLNBFKLMLCLQL-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(C(c2ccc(F)cc2)c2c(O)c3ccccc3oc2=O)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWMCZRXOOZIGR-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(C(c2ccccc2F)c2c(O)c3ccccc3oc2=O)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAFZAVWEIFLCLM-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(C(c2ccc([N+](=O)[O-])cc2)c2c(O)c3ccccc3oc2=O)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYUEVGUKGZPGT-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(C(c2ccccc2)c2c(O)c3ccccc3oc2=O)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLZQNHDHHTUCZ-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(C(c2ccc3c(c2)OCO3)c2c(O)c3ccccc3oc2=O)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765797", "category": ["biolink:ChemicalEntity"], "name": "MERBARONE", "xref": ["InChIKey:JARCFMKMOFFIGZ-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275638", "category": ["biolink:ChemicalEntity"], "name": "FLAVONE", "xref": ["InChIKey:VHBFFQKBGNRLFZ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2ccccc12"], "synonym": ["Flavone", "2-phenyl-.gamma.-benzopyrone", "2-phenyl-1,4-benzopyrone", "Asmacoril", "Chromocor", "Cromaril", "Cromarile", "Flavone", "NSC-19028"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL294878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCAWNFIFMLXZPQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4085113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHDWZGVXHRYAOT-CVLQQERVSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZNHALZTDTVONZ-XQKZEKTMSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(C(F)(F)F)cc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POALZTWRXIMVHI-XQKZEKTMSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2cccc(C(F)(F)F)c2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNSNHISKGFEKAG-NINOIYOQSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccccc2C(F)(F)F)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODAZHGHYBWICW-YERNIVPCSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(Cl)cc2Cl)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCIYUVYFHTWUSB-NINOIYOQSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(F)c(F)c2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHJHZDLFHMZMC-IYJPBCIQSA-N", "SMILES:Cc1ccccc1C[C@H]1CN[C@H](C(=O)O)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSCTVRPHDYFEBA-NINOIYOQSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccccc2Br)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOBVSIKQJKMMO-NINOIYOQSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccccc2Cl)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZGTSFNVQSTNN-SCYNACPDSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccccc2[N+](=O)[O-])CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKTWPCCWOYHOCB-NINOIYOQSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccccc2F)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEJCKIYKRFAMOV-XQKZEKTMSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2cccc(F)c2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGXELIZYUDTKZ-XQKZEKTMSA-N", "SMILES:Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPZOIISFQXTCQN-KDOFPFPSSA-N", "SMILES:O=C(O)C[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJBYMUCKBYSCP-CVYQJGLWSA-N", "SMILES:O=C(O)C[C@@](O)(C(=O)O)[C@H](O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4073206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIYOGEXECQZRNL-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)cc(O)c2cc1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRYSHKMJTJPOSZ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)cc(O)c2cc1-c1cc(Br)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOCCPHBOZZTOG-MIGVFKNZSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccc(C(=O)NCCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIHNLWGPYQFHPA-UHFFFAOYSA-N", "SMILES:NCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGRFGLSGZUBIK-JHAORNMHSA-N", "SMILES:COc1ccc(Br)cc1/C=C/C(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQJCECMJDJDFLF-ANRDLHARSA-N", "SMILES:O=C(/C=C/c1ccc(C(F)(F)F)cc1)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTMUKXWXXQKIQC-SRABZTEZSA-N", "SMILES:O=C(CCCCC1CCCCC1)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSVKZVOJZURNT-RHMWETHNSA-N", "SMILES:COc1cc(OC)c(OC)cc1CCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMIOBDMECQFGI-SNAWJCMRSA-N", "SMILES:N/C(=N\\O)c1cccc(/C=C/c2cc(O)c(O)cc2Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDEDYOAMPIVKCF-ZZXKWVIFSA-N", "SMILES:N/C(=N\\O)c1ccc(/C=C/c2cc(O)c(O)cc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTAPGZSFNPYXQF-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1Cc1ccc(OCc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRILUBYKKOXAP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccc4c(c3)CCO4)cc2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDTXJCHBNPVFCG-JXFKEZNVSA-N", "SMILES:C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPOWZEVSMULVMR-UHFFFAOYSA-N", "SMILES:Oc1nc(NCc2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXJCFAYDADYYJH-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1nc(NCCc2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIBDZBXFNYGLIL-UHFFFAOYSA-N", "SMILES:CCNc1nc(NCCc2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWIYDVUQKJTSM-UHFFFAOYSA-N", "SMILES:c1ccc(CCNc2nc(NC3CC3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCGYGXEBJIPDI-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2nc(Cl)nc3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJQPMGQDUTRLT-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYXBXJJLGQBOGD-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYWTKCBFPBSRM-UHFFFAOYSA-N", "SMILES:CNc1nc(NCCc2ccc(OC)c(OC)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHSDJTLZMWMUMU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)Nc2ccc(Nc3cc(-c4c(-c5ccc(F)cc5)nc(SC)n4C)ccn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGUMAGUMQGZTJF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2ccc(Nc3cc(-c4c(-c5ccc(F)cc5)nc(SC)n4C)ccn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUSJXDWGAHZNA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)Nc2ccc(Nc3cc(-c4[nH]c(SC)nc4C)ccn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZDKONUEXYGGP-LQJZCPKCSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFJLZSWPUNUKNF-VMPREFPWSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(C(=O)Nc2nccs2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTFFBXDJQDTVQS-KYJUHHDHSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(C(=O)NCc2nccs2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286721", "category": ["biolink:ChemicalEntity"], "name": "AMINOPURVALANOL", "xref": ["InChIKey:RAMROQQYRRQPDL-HNNXBMFYSA-N", "SMILES:CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL367625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTBSBSOBZHXMHI-LSDHHAIUSA-N", "SMILES:CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPIIOCDKJSVOBG-ORMXYABYSA-N", "SMILES:CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\\C[C@H]1CC[C@@H](NC(=O)/C=C\\[C@H](C)OC(=O)N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDIHPXYAMGYXKA-ALCCZGGFSA-N", "SMILES:COC(=O)c1c(/C(C#N)=C\\N)c2ccc(Cl)c(Cl)c2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1377788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMMURAAUARKVCB-CERMHHMHSA-N", "SMILES:OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1797428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYRCBYSHCFNMPH-SCKKLSKKSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UINUMQDNWMTGGN-PHGAALLDSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)N3CCNCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVCMLTPKKPDZGO-QGZVFWFLSA-N", "SMILES:Cc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)C(C)(C)NS(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334384", "category": ["biolink:ChemicalEntity"], "name": "4-FLUORO-2',4',6'-TRIHYDROXYCHALCONE", "xref": ["InChIKey:SHTJJLRPHGCOGK-ZZXKWVIFSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)c1c(O)cc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL131703", "category": ["biolink:ChemicalEntity"], "name": "4-BROMO-2',4',6'-TRIHYDROXYCHALCONE", "xref": ["InChIKey:HYJYMZIVFPTMAO-ZZXKWVIFSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)c1c(O)cc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129371", "category": ["biolink:ChemicalEntity"], "name": "2',4',6-TRIHYDROXYCHALCONE", "xref": ["InChIKey:LOYXTWZXLWHMBX-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1c(O)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2234026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOKAXLBMHFXURB-VOTSOKGWSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133588", "category": ["biolink:ChemicalEntity"], "name": "4-METHOXYL-2',4',6'-TRIHYDROXYCHALCONE", "xref": ["InChIKey:DGUBZDXYXXUHTJ-QPJJXVBHSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4082294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBUDZZYHROTLU-VMPITWQZSA-N", "SMILES:CCOc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTRNHUOLWFFHPQ-VMPITWQZSA-N", "SMILES:C=CCOc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSUYOIYDKRKIC-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1c(O)cc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUQXYRQMPRGTNQ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(F)cc1)c1c(O)cc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQGMMRHTWIOGH-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)c1c(O)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4084816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUGZYTXNSPFTBX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQNPVOBVGNGYHD-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4074544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIWUMYLJUWYIA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVDAUCLRSYBDY-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOWJJZIXDSATC-VJXVFPJBSA-N", "SMILES:O=C(CCc1ccc(F)cc1)c1c(O)cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1645378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDFEYKTGPKVCI-VJXVFPJBSA-N", "SMILES:O=C(CCc1ccccc1)c1c(O)cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJDBDULKYUTKE-DGHBBABESA-N", "SMILES:Cc1ccc(CCC(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJWMOACSFFYFG-DGHBBABESA-N", "SMILES:COc1ccc(CCC(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVWVHHSDUHNIOQ-QJLVSEQISA-N", "SMILES:CCOc1ccc(CCC(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URDMZBKELOFRSX-VYJJCVKJSA-N", "SMILES:CCCOc1ccc(CCC(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZBPTZZTCBNBOZ-VJXVFPJBSA-N", "SMILES:O=C(CCc1ccc(O)cc1)c1c(O)cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3822972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANRGEOLLIFNBS-UHFFFAOYSA-N", "SMILES:COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUVOWHUVPLHPP-UHFFFAOYSA-N", "SMILES:Oc1cnnc(SCc2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWICODIFOPGDGP-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVXSGRWCIEZOC-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYQKJRWLVLMHC-UHFFFAOYSA-N", "SMILES:O=C1NCc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACMJJOTLMIGKP-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSPDVHFGAYHKO-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cc(F)cc(F)c2)oc2c1ccc1ccccc12"]}
{"name": "Carboxylic ester hydrolase", "xref": ["CHEMBL.TARGET:CHEMBL4105977"], "id": "UniProtKB:I3LTK9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEMGHTYCJXNLM-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3cn(CCCCCC(=O)NO)nn3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNNBSMMLUSHSMC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(-c2cn(CCCCCCC(=O)NO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQLASXGJFGXFL-IYARVYRRSA-N", "SMILES:O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239226", "category": ["biolink:ChemicalEntity"], "name": "LASELIPAG", "xref": ["InChIKey:OJQMKCBWYCWFPU-UHFFFAOYSA-N", "SMILES:CC(C)N(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1"], "synonym": ["Laselipag", "Laselipag", "Laselipag", "Laselipag", "ACT-333679", "ACT333679", "J2.120.976G", "MRE-269", "MRE269"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4093536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZKYRFWMACKRST-UHFFFAOYSA-N", "SMILES:NCCCOc1cccc(C(=O)O)c1N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL295380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUHESAGKKNPKY-UHFFFAOYSA-N", "SMILES:C1CNC2(C1)C1CC3CC(C1)CC2C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEJBOCXPGHSONP-UHFFFAOYSA-N", "SMILES:COc1ccc2ccccc2c1Cn1cnc2sc3c(c2c1=O)CCC(NCc1cccnc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBGRZTNWJBBJHU-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnc3sc4c(c3c2=O)CCC(NCc2c(C)noc2C)C4)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEVMMQQJOXBSAX-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCOCC3)nc(NC3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYNUWSFRZCRKSN-UHFFFAOYSA-N", "SMILES:CCCCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKFAPJXEKVBHI-UHFFFAOYSA-N", "SMILES:Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHMPOHMNQEDFG-UHFFFAOYSA-N", "SMILES:Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(N3CCC(N(C)C)CC3)cn2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXNABOXYLWWLJ-WGEHOESMSA-N", "SMILES:C[C@H](CCC(=O)N[C@@H]1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUOIRMCCFIGCW-HMMYKYKNSA-N", "SMILES:O=C1C/C(=N\\Nc2nc(-c3cccc(O)c3)cs2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYXILOYZDAKIG-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNTVWEAXXONLBQ-AFUMVMLFSA-N", "SMILES:Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(O)cc3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFKPLHFUECUGTL-UHFFFAOYSA-N", "SMILES:CCOc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJTGJNVSYAVKRP-UHFFFAOYSA-N", "SMILES:c1ccc2c3c([nH]c2c1)C(c1ccc(C2NCCc4c2[nH]c2ccccc42)cc1)NCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAQMWBULFUWQMJ-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(-c3ccc(-c4nccc5c4[nH]c4ccccc45)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSWASNXABISKDF-UHFFFAOYSA-N", "SMILES:COc1cc(CCNc2nc(CCc3ccccc3)nc3sc(C(=O)O)c(C)c23)cc(OC)c1"]}
{"name": "UDP-N-acetylbacillosamine N-acetyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4105798"], "id": "UniProtKB:Q0P9D1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:192222"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVAPRNRSLROHPD-ZRDIBKRKSA-N", "SMILES:COc1ccc(OC)c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDEKQSVBYXHMGE-CSKARUKUSA-N", "SMILES:COc1ccc(OC)c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYPDNNLWDMTGC-UHFFFAOYSA-N", "SMILES:CCC(=O)N1NC(c2cc(OC)c(OC)c(OC)c2)C2=C1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSKBOZUXWZYFU-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1F"]}
{"name": "Eukaryotic initiation factor 4A-III", "xref": ["CHEMBL.TARGET:CHEMBL4105832"], "id": "UniProtKB:P38919", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXGKPRMUKYMCW-ZDCRXTMVSA-N", "SMILES:CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDOMWDHQGAUNV-UHFFFAOYSA-N", "SMILES:CC1(C)OCC(=O)Nc2cc(Nc3nc(NC4CC4)c4occc4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDWXVGCLSBQVMP-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJLAQMWJHCHTN-BPUTZDHNSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPJUJWJRZHLGY-SFHVURJKSA-N", "SMILES:C[C@H](Oc1ccc(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPJUJWJRZHLGY-GOSISDBHSA-N", "SMILES:C[C@@H](Oc1ccc(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYDOQPEPIKOKN-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccccc2)nc1COc1ccc(Cc2ccc(OC(C)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFGGOFPIISJIT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XURALSVDCFXBAX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3C)c(NC)n2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTGYWPTWNBGCLG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1519124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWRLQUBVOVSGN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1578365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPQLJPWAPUNKT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYQVQWVHHFRKI-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1CCCn1c(C)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVMNOKMUWPUSRR-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1CCCN1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLTWBZRORCSDJ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1CCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYMNTWWEDBYRO-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWKJCSMRNQOSCH-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTZKBIASCOEOF-JKTHDPNJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXCMPQAPJMQEBZ-IZVCVDKXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEYPFGWVWDWGTA-ASCKBZEVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCNHUJFDVBZDB-OLZOCXBDSA-N", "SMILES:O=C(O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCNHUJFDVBZDB-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]c2ccc(F)cc2c1NC(=O)C1CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDCKIUURCNVTTJ-ZMHPAJMFSA-N", "SMILES:O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCCCNC(=S)N1[C@@H]2CO[C@H]1[C@H](O)[C@@H](O)[C@@H]2O"]}
{"name": "Alpha-galactosidase", "xref": ["CHEMBL.TARGET:CHEMBL5217"], "id": "UniProtKB:Q42656", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:13443"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZSBTAXVTQZJQR-ZMHPAJMFSA-N", "SMILES:O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCCCNC(=S)N1[C@@H]2CO[C@H]1[C@H](O)[C@@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKJVYFGMTHOOKX-LHKMKVQPSA-N", "SMILES:O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCCCCCCCCNC(=S)N1[C@@H]2CO[C@H]1[C@H](O)[C@@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLFXJUZBBBSCB-LHKMKVQPSA-N", "SMILES:O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCCCCCCCCNC(=S)N1[C@@H]2CO[C@H]1[C@H](O)[C@@H](O)[C@@H]2O"]}
{"name": "Alpha-mannosidase", "xref": ["CHEMBL.TARGET:CHEMBL3392945"], "id": "UniProtKB:C0HJB3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3823"]}
{"name": "Lysosomal alpha-mannosidase", "xref": ["CHEMBL.TARGET:CHEMBL4059"], "id": "UniProtKB:O00754", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Beta-mannosidase", "xref": ["CHEMBL.TARGET:CHEMBL3903"], "id": "UniProtKB:O00462", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVCZAWTWHOMUGI-UEIGIMKUSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(C(=O)/C=C/c2ccccc2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCZZFCUAGRVEIS-IERUDJENSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1OCCCCOc1cccc(C(=O)/C=C/c2ccccc2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBZPSZPKZSAHS-UEIGIMKUSA-N", "SMILES:Cl.NC1=NC2(CCCC2)N(OCCCOc2cccc(C(=O)/C=C/c3ccccc3)c2)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCIXRABRXZDCG-IERUDJENSA-N", "SMILES:Cl.NC1=NC2(CCCC2)N(OCCCCOc2cccc(C(=O)/C=C/c3ccccc3)c2)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7976", "category": ["biolink:ChemicalEntity"], "name": "CHALCONE", "xref": ["InChIKey:DQFBYFPFKXHELB-VAWYXSNFSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4065510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIBTZGIRNIYBBE-OWOJBTEDSA-N", "SMILES:NC(=O)c1cccc(-c2ccc(OC(=O)NC/C=C/CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKJIMDAMMQSFSZ-OWOJBTEDSA-N", "SMILES:NC(=O)c1cccc(-c2ccc(OC(=O)NC/C=C/CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFOFVBVSVNPYLB-UHFFFAOYSA-N", "SMILES:Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPIXRPPZFQFTJS-LJQANCHMSA-N", "SMILES:COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTIUXFVWQDSKHY-HXUWFJFHSA-N", "SMILES:CCn1c(C(=O)Nc2cccc(COC)c2COc2ccc(OC[C@@H]3CCNC3)cc2)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSNNQXVJVEDMY-HXUWFJFHSA-N", "SMILES:CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATXGVVQAUKKFAN-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXQVEFQXOWJFLQ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POHCCWAHRSYSQC-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYPLTVNNEJMOPP-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBHKLIXDJQWSKG-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(S(=O)(=O)n2cc(CN3CCN(C)CC3)c3cc(F)ccc32)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPRJLVXGSNPITB-UHFFFAOYSA-N", "SMILES:COc1cccc2c1c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccc(C(C)C)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMOVCJQIQLSTAN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccc(C(C)C)cc1.CS(=O)(=O)O.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOVHVSOYAFHSFK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CN1CCCN(C)CC1)cn2S(=O)(=O)c1ccc(C(C)C)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBCAXHKNPCVCB-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1occ(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOPDXHFYDJAYNS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1"]}
{"name": "Leukotriene A-4 hydrolase", "xref": ["CHEMBL.TARGET:CHEMBL3738"], "id": "UniProtKB:P24527", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLWOIPHPTUUBHH-XDHOZWIPSA-N", "SMILES:C/C(=C\\CCP(=O)(CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)CO"]}
{"name": "Butyrophilin subfamily 3 member A1", "xref": ["CHEMBL.TARGET:CHEMBL4105758"], "id": "UniProtKB:O00481", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOCPVGCROEFJO-NTEUORMPSA-N", "SMILES:C/C(=C\\CCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDSIZRKJVDMQOQ-GORDUTHDSA-N", "SMILES:C/C(=C\\COP(=O)(O)OP(=O)(O)O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4095308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATBCOCREUORID-BQYQJAHWSA-N", "SMILES:COc1cccc(C(=O)/C=C/c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXOTBIFJKUITB-RUDMXATFSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFCLIMDBQXWFA-VMPITWQZSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cccnc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1970023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHOMUNQVGOCTOP-FNORWQNLSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cccnc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISNNUNAKEIZADX-AATRIKPKSA-N", "SMILES:COc1cc(OC)cc(C(=O)/C=C/c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSVIKWLSFHHDS-SOFGYWHQSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cccnc2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IASOQADGKVJCGU-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1cccnc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTMMNDZZHPICBG-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1cccnc1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEIBVAVFCWVTQA-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1cccnc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDPEUALCUWORP-RUDMXATFSA-N", "SMILES:COc1ccc2cc(C(=O)/C=C/c3cccnc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWOBCNTPPHTAD-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1cccnc1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLCNRQKXFUFEX-MDWZMJQESA-N", "SMILES:O=C(/C=C/c1cccnc1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEHHPMSGGVPKQ-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccncc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONLWTWOUQDZRN-KPKJPENVSA-N", "SMILES:O=C(/C=C/c1cccnc1)c1ccc2ccc3ccccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXPWZELWNJXWIG-VAWYXSNFSA-N", "SMILES:O=C(/C=C/c1cccnc1)c1cc2ccccc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPLKGHAMXDSGB-AWNIVKPZSA-N", "SMILES:O=C(/C=C/c1cccnc1)c1ccc2ccc3cccc4ccc1c2c34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1517429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQFCRRNTSUDQK-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1cccc(O)c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1413330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCPAKKAUGIZQP-HWKANZROSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OCO2)c1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4099058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGWVEROYSKVAKD-BQYQJAHWSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHEQTDVPLWMMGR-CMDGGOBGSA-N", "SMILES:COc1ccccc1/C=C/C(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJQWYUOPRYSDU-GQCTYLIASA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccnc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSRGLUXNFRKQM-FNORWQNLSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccnc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPKUGYQIPHCDJR-VOTSOKGWSA-N", "SMILES:COc1cc(/C=C/C(=O)c2cccnc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2237709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJLXVSGXKPEVHK-SOFGYWHQSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccnc2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXIQXSLFQYPHA-GQCTYLIASA-N", "SMILES:O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPYBWJFDGPAAH-GQCTYLIASA-N", "SMILES:O=C(/C=C/c1ccc(F)c(F)c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBDGXJRQZDLRV-CSKARUKUSA-N", "SMILES:O=C(/C=C/c1ccc2ccccc2c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PINRHPDVUJVFDC-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOYVLGNZQPYXSS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2n[nH]c3cc(-c4cn(C)c5ccccc45)ccc23)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNDOYFXWRJGTJT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2n[nH]c3cc(-c4ccncc4)ccc23)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPBXDBUHXLBON-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2n[nH]c3cc(Nc4cccc(F)c4)ccc23)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNXLQHAJUTVIF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2n[nH]c3ccc(-c4ccc5ccccc5c4)cc23)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOFPXKOUVACVHI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2n[nH]c3ccc(-c4ccc(F)cc4)cc23)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1206", "category": ["biolink:ChemicalEntity"], "name": "ETHOPROPAZINE", "xref": ["InChIKey:CDOZDBSBBXSXLB-UHFFFAOYSA-N", "SMILES:CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21"], "synonym": ["Profenamine", "Profenamine", "Profenamina", "RP-3356", "SC-2538", "W-483"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL21640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRYCIFUZSUMAAY-UHFFFAOYSA-N", "SMILES:c1ccc(CC2NCCc3ccccc32)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4099635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIPZWMXJRGSEOV-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N1CCCOCC1)N1CCCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXMQQMMCIABOFO-UHFFFAOYSA-N", "SMILES:CC1CN(C(=S)SSC(=S)N2CCOC(C)C2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVFPEMWEQXLEKH-BKUVIOGVSA-N", "SMILES:C[C@@H]1CN(C(=S)SSC(=S)N2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYQVIWAINCJLHO-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(C(=S)SSC(=S)N2CCOC(C(=O)OC)C2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTLRTGBGRYQSAJ-VGWMRTNUSA-N", "SMILES:S=C(SSC(=S)N1CCO[C@H]2CCCC[C@@H]21)N1CCO[C@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCAKGKHUKNQGP-UHFFFAOYSA-N", "SMILES:OCC1CN(C(=S)SSC(=S)N2CCOC(CO)C2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMMRQBJGNHISC-ZIAGYGMSSA-N", "SMILES:CCOC[C@@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@H]1COCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRHUTDVBLSOCA-VXGBXAGGSA-N", "SMILES:COC[C@@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGCZPRUFNFYOU-UHFFFAOYSA-N", "SMILES:COCC1CN(C(=S)SSC(=S)N2CCOC(COC)C2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFAXRHCATGXLNR-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1CN(C(=S)SSC(=S)N2CCOC(COC(C)=O)C2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUINTQARRIWSHK-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N1CCOC(COc2ccccc2)C1)N1CCOC(COc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODLVGCCGMXGMGZ-RMKNXTFCSA-N", "SMILES:COc1ccccc1/C=C/C(=O)c1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1478249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUFSDFSKQNAXID-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CN3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1506511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPYJPSPSGERKU-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CN3CCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFHMZSVLRLAJV-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CN3CCCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1320886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXDWYHWQSXDNAD-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CN3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZXUNCCTCJEPON-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CN3CCSCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVYWAFDMAPYGB-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1366231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIWBVJOJPOURE-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWWHJDSHNYEIK-UHFFFAOYSA-N", "SMILES:OCC1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWDQLCCXEICILF-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CNC3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKMQRPIHQFCDBT-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CCCBr)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUGYMWFGEDONOG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(CCCBr)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNOFULYOAHOAK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2noc(CCCBr)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJKFFWRUAIOFQY-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CCCN3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMOOTPSLMRCFME-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CBr)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZGRBKDNTXEEQ-UHFFFAOYSA-N", "SMILES:BrCCCc1nc(-c2ccc(Br)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGGLNOYORQSADE-UHFFFAOYSA-N", "SMILES:BrCCCc1nc(-c2cccc(Br)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULFVMSYIZKOMT-UHFFFAOYSA-N", "SMILES:BrCCCc1nc(-c2ccccc2Br)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHRIAPSXFURYNP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CCCBr)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OESYHAALOVZISZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc2c1C(=O)C=C(Nc1ccccc1N1CCNCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZCYPHOOPXOADD-XIEYBQDHSA-N", "SMILES:COc1ccccc1N1CCN(CCCCOc2ccn3ncc(/C=N/O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIESVSSRMWPJQT-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCOc2ccc3ccnn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJQELHTQSMKFH-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCOc2ccc3c(C=O)cnn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAAIZYOGVIMUEU-KOEQRZSOSA-N", "SMILES:COc1ccccc1N1CCN(CCCCOc2ccc3c(/C=N/O)cnn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVBYTCXDVQRCKX-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1ccc2c(c1)c(C)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEVCLHVFELRPIU-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWVLVQOGNGGEO-QHCPKHFHSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFPSPBZCRCOAU-XVNBXDOJSA-N", "SMILES:COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL32969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJXJFHANFIVKH-GQCTYLIASA-N", "SMILES:COC(=O)/C=C/c1ccc(O)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1076184", "category": ["biolink:ChemicalEntity"], "name": "CIMIRACEMATE A", "xref": ["InChIKey:BZBZUGSXRITWQR-QPJJXVBHSA-N", "SMILES:COc1ccc(/C=C/C(=O)OCC(=O)Cc2ccc(O)c(O)c2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4060303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZLGVPXIVRIGBA-DHZHZOJOSA-N", "SMILES:CC(C)=C/C=C1/C(=O)Nc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4090057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJYVWRXGGWOEMJ-FMIVXFBMSA-N", "SMILES:CC(C)=C/C=C1/C(=O)N(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJYVWRXGGWOEMJ-XFXZXTDPSA-N", "SMILES:CC(C)=C/C=C1\\C(=O)N(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBDOJSNAHBTMDR-PHFXQHTASA-N", "SMILES:O=C(/C=C/C=C/c1ccccc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKGSBFVNWDGQZ-UHFFFAOYSA-M", "SMILES:Cc1ccc(Sc2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c(C)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZPXKLAPKCQKQC-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPADSKSPZOJDAY-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCNCCN2CCOCC2)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOJIAQZVODHKEX-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZIHKCQBIHZGQA-UHFFFAOYSA-N", "SMILES:CCNCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(OC)cnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMPNBLDKMGHPA-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCBr)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPVANAVAHLPSG-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJUSSRMORXZTG-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCN(C)CC2)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWWCEIFWTXJEW-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCNCC2)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWLYAHAXYULARD-UHFFFAOYSA-N", "SMILES:CNCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(OC)cnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFJJPPSGYUGMFF-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCN(CCO)CC2)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJTFJQBDICKHOW-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCC(N)CC2)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEFWOMXEAPTURA-UHFFFAOYSA-N", "SMILES:COc1cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBKDTPBMMLQNW-UHFFFAOYSA-N", "SMILES:Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWYQDRHBZHFSPW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nnc(-c3ccc(N)cc3)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTISNFRXHXPBF-UHFFFAOYSA-N", "SMILES:c1ccc(COc2cccc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKLRSABPMIFYDL-GIJQJNRQSA-N", "SMILES:O=C1COC(c2ccc(/N=C/c3cccc(Cl)c3)cc2)=NN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIRCDQXVLVYUPI-WUKNDPDISA-N", "SMILES:O=C1COC(c2ccc(/N=N/c3ccccc3)cc2)=NN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKIXIRJCDPSNH-SNAWJCMRSA-N", "SMILES:O=C1COC(c2ccc(/C=C/c3cccc(F)c3)cc2)=NN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBOKPKGEUMGLQH-VCHYOVAHSA-N", "SMILES:Cc1cccc(/C=N/c2ccc(C3=NNC(=O)CO3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWIYUBCAUDUSLA-JQIJEIRASA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OCCCCN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLGQVPNOSGBQR-DHDCSXOGSA-N", "SMILES:COC(=O)C1=C(Nc2ccccc2Cl)O/C(=C\\c2c[nH]c3ncccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYNTWHXLRICLPC-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2C(c2ccc(O)c(OC)c2)C2=C(CCCC2=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTHAUJPTBYQOJ-UHFFFAOYSA-N", "SMILES:CN(CCCNc1cc(=O)oc2ccccc12)C(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWBJJZOKGZCSJ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHMYGKFULLRKST-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2cc3nc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTZJWYPYIVMMH-QFDDLBABSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCNCCOc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)CCc2ccccc2)C2CC2)cc1"]}
{"name": "MICOS complex subunit MIC19", "xref": ["CHEMBL.TARGET:CHEMBL4105877"], "id": "UniProtKB:Q9NX63", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKWERZCECCPSZ-QFDDLBABSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCNCCOc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)CCc2ccc(O)cc2)C2CC2)cc1"]}
{"name": "MICOS complex subunit MIC60", "xref": ["CHEMBL.TARGET:CHEMBL4105768"], "id": "UniProtKB:Q16891", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "MICOS complex subunit MIC25", "xref": ["CHEMBL.TARGET:CHEMBL4105993"], "id": "UniProtKB:Q9BRQ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "MICOS complex subunit MIC10", "xref": ["CHEMBL.TARGET:CHEMBL4105956"], "id": "UniProtKB:Q5TGZ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CCR4-NOT transcription complex subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL4105919"], "id": "UniProtKB:A5YKK6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWJYYCVKEDVTLR-OELKWWGTSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCNCCCCOc1ccc(CCC(=O)N(C2CC2)C(C(=O)NCc2ccccc2)c2ccc(Br)cc2)cc1"]}
{"name": "CCR4-NOT transcription complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL4105920"], "id": "UniProtKB:Q9NZN8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CCR4-NOT transcription complex subunit 6-like", "xref": ["CHEMBL.TARGET:CHEMBL4105957"], "id": "UniProtKB:Q96LI5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CCR4-NOT transcription complex subunit 7", "xref": ["CHEMBL.TARGET:CHEMBL3616361"], "id": "UniProtKB:Q9UIV1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CCR4-NOT transcription complex subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL4105769"], "id": "UniProtKB:O75175", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CCR4-NOT transcription complex subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL4105770"], "id": "UniProtKB:O95628", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CCR4-NOT transcription complex subunit 10", "xref": ["CHEMBL.TARGET:CHEMBL4105878"], "id": "UniProtKB:Q9H9A5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CCR4-NOT transcription complex subunit 11", "xref": ["CHEMBL.TARGET:CHEMBL4105958"], "id": "UniProtKB:Q9UKZ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Survival of motor neuron-related-splicing factor 30", "xref": ["CHEMBL.TARGET:CHEMBL4105959"], "id": "UniProtKB:O75940", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gem-associated protein 7", "xref": ["CHEMBL.TARGET:CHEMBL4105841"], "id": "UniProtKB:Q9H840", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peflin", "xref": ["CHEMBL.TARGET:CHEMBL4105771"], "id": "UniProtKB:Q9UBV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Programmed cell death protein 6", "xref": ["CHEMBL.TARGET:CHEMBL4105994"], "id": "UniProtKB:O75340", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 6 regulatory ankyrin repeat subunit B", "xref": ["CHEMBL.TARGET:CHEMBL4105772"], "id": "UniProtKB:Q8N8A2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 6 regulatory ankyrin repeat subunit A", "xref": ["CHEMBL.TARGET:CHEMBL4105921"], "id": "UniProtKB:O15084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 6 catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL4105731"], "id": "UniProtKB:O00743", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 6 regulatory subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL4105773"], "id": "UniProtKB:Q5H9R7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 6 regulatory ankyrin repeat subunit C", "xref": ["CHEMBL.TARGET:CHEMBL4105922"], "id": "UniProtKB:Q8NB46", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exportin-T", "xref": ["CHEMBL.TARGET:CHEMBL4105803"], "id": "UniProtKB:O43592", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 6 regulatory subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL4105774"], "id": "UniProtKB:Q9UPN7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 6 regulatory subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL4105960"], "id": "UniProtKB:O75170", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein MON2 homolog", "xref": ["CHEMBL.TARGET:CHEMBL4105804"], "id": "UniProtKB:Q7Z3U7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CCR4-NOT transcription complex subunit 9", "xref": ["CHEMBL.TARGET:CHEMBL4105961"], "id": "UniProtKB:Q92600", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Brefeldin A-inhibited guanine nucleotide-exchange protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4105732"], "id": "UniProtKB:Q9Y6D5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFLOONCBCCGCX-WUKNDPDISA-N", "SMILES:CN(C(=O)/C=C/c1ccccc1)C(C(=O)NCc1ccccc1)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083615", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKGJXLLTOEAIK-OBGWFSINSA-N", "SMILES:CCCN(C(=O)/C=C/c1ccc(OC)cc1)C(C(=O)NC1CCCCC1)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOGNXIZICHAJPA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(CCc1ccc(OC)c(OC)c1)C(C(=O)NCCCCC)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRJWHYDFSLMKIF-BJMVGYQFSA-N", "SMILES:C/C=C/C(=O)N(Cc1ccccc1Cl)C(C(=O)NC(C)(C)C)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZGOTCJJCVJEG-ACCUITESSA-N", "SMILES:O=C(NCCN1CCOCC1)C(c1ccccc1Br)N(Cc1ccccc1)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVAMTBFRESIQFZ-KNTRCKAVSA-N", "SMILES:O=C(NCc1ccccc1)C(c1ccccc1)N(C(=O)/C=C/c1ccccc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHTAACDCCPHFOS-WYMLVPIESA-N", "SMILES:O=C(NCCN1CCOCC1)C(c1ccccc1)N(Cc1ccccc1)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZYOQWTVIHAGE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)C(c1ccc(Br)cc1)N(C(=O)CCc1ccccc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUSHJEGXWOMLBV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)C(c1ccc(OCCBr)cc1)N(C(=O)CCc1ccccc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNSIPOVPSDQHRR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)C(c1ccc(Br)cc1)N(C(=O)CCc1ccc(O)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJEOHEIIBAGHGQ-UHFFFAOYSA-N", "SMILES:NCCOCCOCCNCCOc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)CCc2ccccc2)C2CC2)cc1"]}
{"name": "Conserved oligomeric Golgi complex subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL4105805"], "id": "UniProtKB:Q8WTW3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Conserved oligomeric Golgi complex subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL4105842"], "id": "UniProtKB:Q96JB2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Conserved oligomeric Golgi complex subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL4105733"], "id": "UniProtKB:Q9H9E3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Conserved oligomeric Golgi complex subunit 6", "xref": ["CHEMBL.TARGET:CHEMBL4105962"], "id": "UniProtKB:Q9Y2V7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Conserved oligomeric Golgi complex subunit 7", "xref": ["CHEMBL.TARGET:CHEMBL4105843"], "id": "UniProtKB:P83436", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Conserved oligomeric Golgi complex subunit 8", "xref": ["CHEMBL.TARGET:CHEMBL4105880"], "id": "UniProtKB:Q96MW5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMULYFATHSZJM-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12"], "synonym": ["NU-7432"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRDVPYKJUYMDN-RZDIXWSQSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGYQQVMSZRZRGX-RZDIXWSQSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEXCIJQFLUZOJA-UAPYVXQJSA-N", "SMILES:N#Cc1ccc(NC(=O)N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFJUCOAUUKTIT-RUCARUNLSA-N", "SMILES:N#Cc1cc(NC(=O)N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)CC2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOAUOYJELIXPQ-IRJFHVNHSA-N", "SMILES:N#Cc1ccc(NC(=O)N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)CC2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXSKSJQNHLROSB-CZIWCDLHSA-N", "SMILES:O=C(Nc1cccc(OC(F)(F)F)c1)N[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLGQSVMIPOVQAX-UHFFFAOYSA-N", "SMILES:Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNNYYUFPAQKZRD-UHFFFAOYSA-N", "SMILES:O=C(CCC1CCCC1)Nc1nnc2n1CCS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGAFBFBLFFSDKG-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBRIQBWLONMBS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDGVZUMYJMSJB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFNNDVKJUPAWSW-UHFFFAOYSA-N", "SMILES:Cn1cnc(C(=O)N2CCN(C(=O)c3ccc(Nc4nc5ccccc5n5nnnc45)cc3)CC2)c1"]}
{"name": "GDP-mannose 4,6 dehydratase", "xref": ["CHEMBL.TARGET:CHEMBL4105807"], "id": "UniProtKB:O60547", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein ZNRD2", "xref": ["CHEMBL.TARGET:CHEMBL4105996"], "id": "UniProtKB:O60232", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYLBEIMGTYIHI-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACLAXCQLZQUWME-UHFFFAOYSA-N", "SMILES:COc1nc2ccccc2n1C(=O)NCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRDDTNIACNBCQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCECKKYASSKRNU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBONAFZFTXZHGQ-KAIJYXGNSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(-c3ccc(-n4c(-c5cccs5)cc(/C=C5\\SC(=O)NC5=O)c4-c4cccs4)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFHBOVGIOGXRN-DSAROVGPSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(-c3ccc(-n4c(-c5ccccc5)cc(/C=C5\\SC(=O)NC5=O)c4-c4ccccc4)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZMVYBUWNRHUPA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc3ccccc23)sc1C(=O)N1CCC(CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPYEDMQNQLOJB-HLJMBBIBSA-N", "SMILES:Nc1nc2c(N)[n+]3cnc2n1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2C[C@@H]3[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]}
{"name": "Ryanodine receptor", "xref": ["CHEMBL.TARGET:CHEMBL4105735"], "id": "UniProtKB:Q8TA74", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7650"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1790049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEBZDYIAEYROIZ-HLJMBBIBSA-N", "SMILES:[N-]=[N+]=Nc1nc2c(N)[n+]3cnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2C[C@@H]3[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWCNUJNIZNASIX-HLJMBBIBSA-N", "SMILES:Nc1c2nc(Cl)n3c2nc[n+]1[C@@H]1C[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H]3[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLPVZUZVUHUEA-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(CCOc2ccc3c(ccn3-c3cccnc3)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAABJFAMRTUJAE-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(CCOc2ccc3c(ccn3CC(=O)O)c2)c2ccc(C(=O)C3CCCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSODJFNGKPVOB-BFPMNZARSA-N", "SMILES:O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)NCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABIIDXAYHQFYHP-OHZXJXDZSA-N", "SMILES:O=C(O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHHNQRAKUUHCQW-CKKFNOSNSA-N", "SMILES:NCCCCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAZIODRZXXQBQ-BFPMNZARSA-N", "SMILES:NCCCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZVPNDGHMIVQD-SMUZHKEXSA-N", "SMILES:NCCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIJWHUUSJSFFPQ-SMUZHKEXSA-N", "SMILES:O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZIFICQFFOAPPW-MTNYTLHYSA-N", "SMILES:CCCCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWFVXBFYYRPSDF-CWWQGFDPSA-N", "SMILES:CCCNS(=O)(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDLUMAPSABZVKW-ZEHFLGHISA-N", "SMILES:N#C/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWSTOKTGQHOOT-CKKFNOSNSA-N", "SMILES:O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)OCCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APOHFDLELFKYGJ-MQYJNFRYSA-N", "SMILES:CC(C)CCCCCOC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQTVKQQCLCTAD-MTNYTLHYSA-N", "SMILES:CCCCOC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068509", "category": ["biolink:ChemicalEntity"], "name": "PRN-1371", "xref": ["InChIKey:PUIXMSRTTHLNKI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1"], "synonym": ["Prn 1371", "Prn-1371", "PRN1371"]}
{"id": "CHEMBL.COMPOUND:CHEMBL581893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBMSSBTCGJZEE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C)nc(NC(=N)N)nc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL251689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INDBQLZJXZLFIT-LLVKDONJSA-N", "SMILES:COc1cc(N[C@H](C)CCCN)c2ncccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4082656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHIMHWBYKXMBSF-KQQNWIRTSA-O", "SMILES:CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(C(F)(F)F)cc3)Cc3ccc(C(F)(F)F)cc3)Cc3ccc(C(F)(F)F)cc3)Cc3ccc(C(F)(F)F)cc3)Cc3ccc(C(F)(F)F)cc3)Cc3ccc(C(F)(F)F)cc3)c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQIBUGVHVHGTG-KQQNWIRTSA-O", "SMILES:CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSSLEXJITBWQCR-GLYAYLBESA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSSLEXJITBWQCR-AWSPCSPMSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJSFZIENVPHIJ-LQKWBVRISA-O", "SMILES:CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONLDSYHSCDNKT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMLWIQEGAAUKD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCn1c2ccccc2c(=O)c2cc(C)cc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMGTOUIRWRUEF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCN(CCO)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNYPUSBEZJDGOI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCN1CCN(CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTJLVNORXZASOG-RQNOBDLESA-O", "SMILES:CCN(CC)c1ccc2c(-c3ccc(NC(=S)NCC(=O)NCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)cc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARLOQIURXTCLR-BKGQNNOISA-O", "SMILES:CCN(CC)c1ccc2c(-c3ccc(NC(=S)NCCCCCn4cc(-c5ccc(C(=O)N[C@@H]6CC[C@@]7(O)[C@H]8Cc9ccc(O)c%10c9[C@@]7(CCN8CC7CC7)[C@H]6O%10)cn5)nn4)cc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUJAHZDXERJZMS-UHFFFAOYSA-N", "SMILES:COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNSDAZKIRGCPR-UHFFFAOYSA-N", "SMILES:COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBSENDSSOCMKF-UHFFFAOYSA-N", "SMILES:COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJJYUGEVAEERK-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)N/N=C2\\C(=O)NC(=O)N=C2O)cc1"]}
{"name": "Snake venom metalloproteinase BaP1", "xref": ["CHEMBL.TARGET:CHEMBL2079851"], "id": "UniProtKB:P83512", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8722"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIJMIFULGIHRTH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(OCC(=O)N/N=C2\\C(=O)NC(=O)N=C2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCEIIWVNSJUXTF-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(SCc1ccccc1Cl)c1nsnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNKCMCKJIDMLTL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(Sc1ccc3ccccc3c1)c1nsnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCGIZKLQCZSQI-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(Sc1cccs1)c1nsnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLFJVTROPUZOIZ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)Cc1ccccc1Cl)c1nsnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNGQTMJPMPQJI-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)c1ccc3ccccc3c1)c1nsnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNVLBIXRKRKQRP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)c1cccs1)c1nsnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWCGQMFLFMTKNL-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRZRWFAIWCRGSM-UHFFFAOYSA-N", "SMILES:CC(C)CNc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCQHSRHWRRIQI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQVWIYOTQBZFA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQKIDQKOAUUVAT-UHFFFAOYSA-N", "SMILES:Cc1nn2c(O)cc(C3CCN(C(=O)OCc4ccccc4)CC3)nc2c1-c1ccc(F)cc1"]}
{"name": "Short transient receptor potential channel 3", "xref": ["CHEMBL.TARGET:CHEMBL4105916"], "id": "UniProtKB:Q9JMI9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1496110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFZOZLAMQAIRGP-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(c2cc(O)n3nc(C)c(-c4ccc(F)cc4)c3n2)CC1"]}
{"name": "Short transient receptor potential channel 7", "xref": ["CHEMBL.TARGET:CHEMBL4105799"], "id": "UniProtKB:Q9HCX4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSRPDXCMAOIUOO-UHFFFAOYSA-N", "SMILES:C=C(C(=O)OCC)C(O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTAOWWAFBSFWSG-UHFFFAOYSA-N", "SMILES:C=C(Cc1ccccc1Cl)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLDIYKGJUGCLEE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYMLDJJNFGPNNT-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMCPGABBOYWTR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAENFKKOUQCPPE-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVGCOGDFKMVQC-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFBLFECRYNKCDV-LJQANCHMSA-N", "SMILES:CC(=O)Nc1ccc(-c2cc(NC3CC3)n3ncc(C#N)c3n2)cc1N1CC[C@@H](N(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFFBQAZZDJCHK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Br)sc2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJNGHKLWZPDSX-LBPRGKRZSA-N", "SMILES:CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPHJWOVOKRMTRO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NCc3cccs3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTLAJERFDZDUGX-UHFFFAOYSA-N", "SMILES:Cc1ncccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NCc3ccc(F)cc3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQZYGWKVWRYQQ-UHFFFAOYSA-N", "SMILES:C#CCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3N3CCC(O)CC3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUNTUWSUYAYIBG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOCQMZJLRQTRD-UHFFFAOYSA-N", "SMILES:CCn1c2c(c(=O)[nH]c1=O)C(c1ccc(C)cc1)C1=C(COC1=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPLKPXUKXLWKV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3CC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSYQVCLFAZVNI-UHFFFAOYSA-N", "SMILES:CCn1c2c(c(=O)[nH]c1=O)C(c1ccc(C)cc1)C1=C(CN(CCc3ccc(O)cc3)C1=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIMRUBFSKCHGZ-UHFFFAOYSA-N", "SMILES:CC1(C)C=Cc2cc(OCc3ccc([N+](=O)[O-])cc3)c(OCc3ccc([N+](=O)[O-])cc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDXBPTFCJUBGJD-RUZDIDTESA-N", "SMILES:CCCNC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(N(C)C)c3)c(NC(=O)COCc3ccccc3)cc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1521474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICYGIZRSNWVJD-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZBJBMYQXQZTLG-JPRYDEJLSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGWYTKNQZADWFN-NKEBBNOXSA-N", "SMILES:C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNIMZVHDRYHZRD-DJPOOTCTSA-N", "SMILES:Cn1cc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cccs2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIDRLTUMTHYFKA-DUGSHLAESA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1F)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBGXCNHCADAQS-DUGSHLAESA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLLHCDARIFITL-DUGSHLAESA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDDZDJQQFMDJOI-BGBFCPIGSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJABNAYRLZQRFQ-KHVQSSSXSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZRXSAXIWPSCOC-KHVQSSSXSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWCBVQHZNJHDHE-DUGSHLAESA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLFISVVCJZZGCR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGCVKNLRAVOKN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXBEUSAAVHLFW-DLOIKSOESA-N", "SMILES:O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\OCC(O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJRBYQMMIYHHPP-NVVUQHMZSA-N", "SMILES:Cc1ccc2c(c1)NC(=O)/C2=C1\\Nc2ccccc2\\C1=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXRNTLBFGWGCHP-GMNPBYEVSA-N", "SMILES:CN1CCN(CCO/N=C2C(=C3/C(=O)Nc4ccccc43)/Nc3ccccc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLBWUNKGCADDKQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)N(CCCCCC(=O)NO)CC(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLGDSTJRIXLINL-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXUBYCVDCQSMFL-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQJAALUQLCRUMG-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLMKEJJSPOWDTI-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1N1Cc3cn(CC(F)(F)F)c(=O)cc3NC1=O)OC(c1ncccc1F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWCWUGZPZVDQQ-QBILMKHKSA-N", "SMILES:CCCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWVULNDIBAUHU-UHFFFAOYSA-N", "SMILES:O=C1Nc2cc(=O)n(Cc3ccccc3)cc2CN1c1cccc(OCc2cncs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHMVSMBAXJFDMK-SXBSVMRRSA-L", "SMILES:CC[C@H](NC(=O)[C@H](CC(C)C)NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)[O-].[Li+].[Li+]"]}
{"name": "Thermolysin", "xref": ["CHEMBL.TARGET:CHEMBL3392"], "id": "UniProtKB:P00800", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1427"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYCZUIJZBNQXBT-SZKOKKDDSA-L", "SMILES:CCC[C@H](NC(=O)[C@H](CC(C)C)NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)[O-].[Li+].[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSYJRKQUNFSRU-RSAXXLAASA-M", "SMILES:CCNC(=O)[C@H](CC(C)C)NP(=O)([O-])CNC(=O)OCc1ccccc1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBCHLZOHZIWJY-NTISSMGPSA-M", "SMILES:CCCNC(=O)[C@H](CC(C)C)NP(=O)([O-])CNC(=O)OCc1ccccc1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGJBAACCQTYOW-WVFPUEBHSA-L", "SMILES:CC(C)C[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CN)C(=O)[O-].[Li+].[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFRZHJWVFPKKCX-SXBSVMRRSA-L", "SMILES:CC(C)C[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CCN)C(=O)[O-].[Li+].[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJPIGCVVAUGERI-QJHJCNPRSA-M", "SMILES:CC(C)C[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)O.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYAVHPMQWYIALQ-MPGISEFESA-L", "SMILES:CC(C)C[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)[O-].[Li+].[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKHKYQXLRWVRAQ-UQKRIMTDSA-M", "SMILES:CC(C)C[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)NCN.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIFYZTSWKFTOFA-RSAXXLAASA-M", "SMILES:CC(C)C[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)NCCN.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYLGKKZNIWQTCQ-NTISSMGPSA-M", "SMILES:CC(C)C[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)NCCCN.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHHONJXCPSTEI-LMOVPXPDSA-M", "SMILES:CC(C)C[C@H](NP(=O)([O-])CNC(=O)OCc1ccccc1)C(=O)NCCCCN.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBRFEROHJGRBO-FQEVSTJZSA-N", "SMILES:Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(=O)O)cc2F)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTLHJPGBIVQLJ-UHFFFAOYSA-N", "SMILES:Cc1c(CO)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUFHVPIYYSZCSV-UHFFFAOYSA-N", "SMILES:COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORXADDKXDVBPSH-UHFFFAOYSA-N", "SMILES:COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTZAXCWWVEHIG-UHFFFAOYSA-N", "SMILES:COc1nc(OCc2cccc(-c3ccccc3)c2)ccc1CNCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYNSNIJWEOYJTL-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(C=O)cc2Br)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBHSZMDJAJVFFE-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBMXPAYXBDJGLA-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CO)cc2)cccc1-c1cccc(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKMOOWEMQWZCM-UHFFFAOYSA-N", "SMILES:Cc1c(CO)cccc1-c1cccc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXVXKRWOVBUDB-GRKNLSHJSA-N", "SMILES:Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3C[C@H](O)C[C@@H]3C(=O)O)cc2Cl)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNXGZKSIKQKAH-SSEXGKCCSA-N", "SMILES:Cc1cc(CN[C@H](CO)C(=O)O)c(OCc2cccc(C#N)c2)cc1OCc1cccc(-c2ccc3c(c2)OCCO3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXCUMDXFMFMRB-UHFFFAOYSA-N", "SMILES:Cc1c(CO)cccc1-c1cccc(C=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKOAUZURFAXJIL-UHFFFAOYSA-N", "SMILES:Cc1c(CO)cccc1-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCIWHGKOBEKIW-UHFFFAOYSA-N", "SMILES:Cc1c(CO)cccc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHWWAHIOVHNULY-UHFFFAOYSA-N", "SMILES:COc1c(CO)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUHWKFOAQUSHJG-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cccc(CO)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQJIDVXGYINLX-UHFFFAOYSA-N", "SMILES:Cc1c(CO)cccc1-c1cccc(OCCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNIISWIMDFFAF-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDPSOYOYVELLZ-UHFFFAOYSA-N", "SMILES:COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHTVZGHNJWEFAC-NRFANRHFSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)o1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKUFNINSKUOGD-OLZOCXBDSA-N", "SMILES:C=C1C(=O)O[C@@H](CCCCCCCC)[C@@H]1CO"]}
{"name": "Pendrin", "xref": ["CHEMBL.TARGET:CHEMBL4523138"], "id": "UniProtKB:O43511", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDRLQLKHRZIJC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc([N+](=O)[O-])ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLGBEGBHXSAQOC-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235999", "category": ["biolink:ChemicalEntity"], "name": "ISATOIC ANHYDRIDE", "xref": ["InChIKey:VYFOAVADNIHPTR-UHFFFAOYSA-N", "SMILES:Nc1ccccc1CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3973787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBPUSGBJDWCHKC-UHFFFAOYSA-M", "SMILES:CC(O)CC(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKWUOTZGXIZAJC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc([N+](=O)[O-])cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMRDHQUQIVWBE-UHFFFAOYSA-N", "SMILES:OB(O)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABFCOJLLBHXNOU-UHFFFAOYSA-N", "SMILES:OCCc1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL240714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCVYRRGZDBSHFU-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4061793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWKBJBSEOZBRA-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBIMZDZZPNFVOV-LJQANCHMSA-N", "SMILES:CC1(C)CN2CCC[C@]2(CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZIOGKZAPZOCK-UHFFFAOYSA-N", "SMILES:CN1CCc2cccc3c4c(cc1c23)C=CC(=O)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLUNLMXJMSSLV-UHFFFAOYSA-N", "SMILES:CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OC(C)=O)c(OC(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVVNGCYGSNANK-JMGPKLEYSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)c1ccccc1)CC[C@H]2C(=O)N[C@H](C(=O)NCCN(Cc1ccccn1)Cc1ccccn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXPBXFHQSIRUSU-HVSNEVFASA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)c1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYYCCFVGJGUPF-QBWLCKSBSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXRTFXANHGCBX-PZOHKCEOSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YALDJLQKTJMMHH-ZSOGPSSESA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCCCCCCCCCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDXYKWDWLUKGKW-OXQSLEPPSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)COCCOCCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZLTQHJJZMUIR-PXLXIMEGSA-N", "SMILES:CN(C)CCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(OCc2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZMSLRAKYDTOCU-LKUDQCMESA-N", "SMILES:O=C(NCCCN1CCCC1)c1ccc(/C=C2\\CCn3c2nc2cc(NCCN4CCCC4)c(F)cc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IORXHVSFCDPREC-YYDJUVGSSA-N", "SMILES:O=C(CCN1CCCC1)Nc1ccc(/C=C2\\CCCn3c2nc2cc(NC(=O)CCN4CCCC4)ccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPCVUWIQSEOSO-LKUDQCMESA-N", "SMILES:CCN(CC)CCCNC(=O)c1ccc(/C=C2\\CCn3c2nc2cc(NCCN4CCCC4)c(F)cc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZNKJORRULJFE-QGOAFFKASA-N", "SMILES:CC(=O)Oc1ccc(/C=C2\\CCn3c2nc2cc(NCCCN(C)C)c(F)cc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIOZIFTPMAING-VWLOTQADSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(F)ccc3O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXVEPWTRMYRCZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUHCSBCVGXTJM-IZLXSDGUSA-N", "SMILES:COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3616711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRVJGPOPUQENQZ-VGRDSOSGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPUYWRBRLSKRAO-TVCGURSSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)[C@H](CCCNC(=O)COc1ccc(-c2ccc(F)cc2F)cc1C(=O)O)NC(=O)CC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXUNLNHETLJJLQ-XSTNXKJRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COc1ccc(-c2ccc(F)cc2F)cc1C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3559801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIXUILRMBSXNS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OC2CCCCC2O)cc1"], "chembl_natural_product": true}
{"name": "Neuropeptide Y receptor type 4", "xref": ["CHEMBL.TARGET:CHEMBL4105736"], "id": "UniProtKB:Q61041", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIABSXPPEYWVER-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2cnn(Cc3cc4c(cc3Br)OCO4)c2n1"]}
{"name": "Heat shock protein 75 kDa, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL1075132"], "id": "UniProtKB:Q12931", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQJDVBMMRCKQG-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZAKNENBMNKYOA-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(S)n2CC(O)COc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTBUVAFYDVTFD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(I)cc1)NC1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4066332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMPXBWVTYSVBEU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDGQZYCXWPQCTM-SNVBAGLBSA-N", "SMILES:Cc1c[nH]c2ncnc(N3CCC[C@@H](CO)C3)c12"]}
{"name": "Ketohexokinase", "xref": ["CHEMBL.TARGET:CHEMBL1275212"], "id": "UniProtKB:P50053", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1500542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTZBWBXBMVIOV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(C#N)c(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1463512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGLKXWLUDJZDQ-UHFFFAOYSA-N", "SMILES:Oc1nc2ccccc2nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJNOCYLVBYQPU-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)c(N)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFQMNLZLZDYJW-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDAHYYYLIDXSI-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRAAEJASGQYNP-IPZCTEOASA-N", "SMILES:CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPEOQNFPYNQYGD-LLHRVUEDSA-N", "SMILES:CN(C/C=C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCCC2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKHRAOGECLHFC-UHFFFAOYSA-N", "SMILES:CC[N+]1(CC)CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSFXFUWDGMQEO-UHFFFAOYSA-M", "SMILES:CC[S+]1CCN(c2ccccc2)CC1.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSGNVZAEAAZOEH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccc(C(=O)NCc4cccnc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTNGFMPUJGMFIJ-QWBWVJPSSA-N", "SMILES:[3H]CC1([3H])CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2OCC(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPXPIEZPAXSELW-RGNAGUPPSA-N", "SMILES:O=C(Nc1ccccc1)[C@]12C[C@H]1/C(=N\\O)c1ccccc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL153823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAVPGZZEIGFNCJ-UHFFFAOYSA-N", "SMILES:Cc1nnc2ccc(-c3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVNQFXQGOBNKJ-UHFFFAOYSA-N", "SMILES:Cc1nnc2ccc(N(C)Cc3ccc(F)c(F)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAGUBKLNQBCSNB-UHFFFAOYSA-N", "SMILES:Cc1nnc2c(N)cc(-c3cnn(C)c3Oc3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYZAREAVICTZKA-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccccc2)nn2c(C)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGBUVLITAKZYME-UHFFFAOYSA-N", "SMILES:CNc1cc(N(C)Cc2ccccc2)nn2c(C)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUPKLSVPPCVMY-OWOJBTEDSA-N", "SMILES:OB(O)c1ccc(/C=C/c2ccc(B(O)O)cc2Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3347643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKFQJXGAQWHBZ-YVLHZVERSA-N", "SMILES:CCOc1cc(/C=C2\\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOBWNSCGKJAQU-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCN(c1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBTKWDQGRKUZCP-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOFDYULETMZILM-KDOFPFPSSA-N", "SMILES:CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDFCLYXXPAPCL-BEFAXECRSA-N", "SMILES:CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEZCTOGNCCZCIM-BEFAXECRSA-N", "SMILES:CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLDUIPOKJBPSQV-PZJWPPBQSA-N", "SMILES:Cc1cccc(F)c1CN1C[C@@H](N(C)C)[C@H](c2ccc(S(C)(=O)=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFRUVZPVKADAA-HTAPYJJXSA-N", "SMILES:CN(C)[C@@H]1CN(Cc2c(F)cccc2Br)C[C@H]1c1cn(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXQQECCQTKSQKN-IRLDBZIGSA-N", "SMILES:COc1ccccc1CN1C[C@H](c2cn(C)c3ccccc23)[C@@H](N(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBELHNGFKZMHPL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2ccc(C(=N)N)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZRBYOCWWJMJRZ-BOPFTXTBSA-N", "SMILES:CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1"]}
{"name": "DNA repair protein complementing XP-A cells", "xref": ["CHEMBL.TARGET:CHEMBL4105801"], "id": "UniProtKB:P23025", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBLAUAARKKILFA-JCMHNJIXSA-N", "SMILES:CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\\c1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKNPGQAFNALOI-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(C(=O)Nc3nnn[nH]3)o2)c(=O)[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1206272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBOOIFXQHPAPJ-UHFFFAOYSA-N", "SMILES:Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFPSRMCKGQLGP-UHFFFAOYSA-N", "SMILES:Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ccccc3Cl)c(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSQRRSRBOSEZSD-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2C(=O)O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKWEPILMVJEEL-HXCBKPQPSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCCC)CCC(=O)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBYKLULOUNBMJL-WZTQULPASA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(O)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZMBYIVQYCFHK-RHBVBDKESA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCCC)CCC(OC)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVOJSQKILRAHNA-SLEIQBAPSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(=O)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYNBUUGFWWQEG-JNWRFHLUSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(O)(c4ccc(O)cc4)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKSPLSYCZOMXFA-LZSZEOTFSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCCC)CCC(O)(c4ccc(O)cc4)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNLTYAYGVNOEBQ-QZRNQQKVSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(OC)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTQYOZTNVAIIX-AYXBMIBNSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCCC)CCC(O)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXWCTVGYPEXMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVXQUYBUNEFEV-DKZGOWMHSA-N", "SMILES:COC(=O)[C@@H](N)CCC(=O)Nc1ccc(COC2=C(C#N)[C@H](O)[C@]3(C)C4=CC(=O)[C@@H]5[C@@H]6CC(C)(C)CC[C@]6(C(=O)OC)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTORGWWPQOLNAW-JICCOMKPSA-N", "SMILES:CCCOc1ccc(CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1"]}
{"name": "Platelet glycoprotein 4", "xref": ["CHEMBL.TARGET:CHEMBL2176845"], "id": "UniProtKB:Q08857", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHUHDONTXLOQHP-MHKQCRJVSA-N", "SMILES:C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(Br)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVJIOHIQRYSRFH-KOMBBWEZSA-N", "SMILES:Cc1cccc(C)c1CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABVWBVAFVZTDDY-ISQGJBOLSA-N", "SMILES:Cc1cc(F)cc(C)c1CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKVHGMQMNHROA-MHKQCRJVSA-N", "SMILES:C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPISMYHIWNGRQ-AOYGRTCDSA-N", "SMILES:COc1ccc(CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSZFHMXHJBINK-MHKQCRJVSA-N", "SMILES:C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGVWLVIDUXUPO-GHWGHFODSA-N", "SMILES:C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUSYPLAHDOEEK-VWUDIHRCSA-N", "SMILES:COc1ccc(CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVYSJARKUKAOV-KSUJVURRSA-N", "SMILES:C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NN(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFVSTQKNEYCPAV-IAPOVMMJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OILSDARVDARXDK-IAPOVMMJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBCETCDZQDIKZ-IAPOVMMJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)C(CC(C)(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLXGNHXTIXJHK-QIDPECHISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)C(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC(C)(C)C)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)C(CC(C)(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBDHJEXXHMTARH-DRVSFAKCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVIXZRNZRDCKE-VCZGOYMNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCC(=O)NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBWBMLKOCYUNSK-QFYHAKEISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC(C)(C)C)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)C(CC(C)(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYLWEQOPOZEHZ-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1cnccc1-c1cnn(C2CC2)c1)Nc1ccc(CN2CC(F)(F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCVUTWNQYOESG-CSNGIGJRSA-N", "SMILES:O=C(OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(Br)c2)[C@H](OC(=O)c2cc(O)c(O)c(Br)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(Br)c1)c1cc(O)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBHMFWNDJTJEU-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCN1C(=O)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRCZLVAADYHND-UHFFFAOYSA-N", "SMILES:C#CCOC(=O)CCN1C(=O)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKRGPBMTWHQHKP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)OCCOC)C1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRBMKKOFPIRAC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)OCc2cn(Cc3ccccc3)nn2)C1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOJAKXHSNCCPF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)OCc2cn(CC(=O)c3ccccc3)nn2)C1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHMCGDLCFUDGI-WEVVVXLNSA-N", "SMILES:CC(C)(C(=O)/C=C/c1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2281867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WITXTXQIXXAMJS-WXUKJITCSA-N", "SMILES:CC(C)(C(=O)/C=C/c1ccccc1)C(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1645487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXXXHTXMXXOIK-PHEQNACWSA-N", "SMILES:CC(C)(C(=O)/C=C/c1ccccc1O)C(=O)/C=C/c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHXDAGQTOXBOSE-PHEQNACWSA-N", "SMILES:CC(C)(C(=O)/C=C/c1ccccc1C(F)(F)F)C(=O)/C=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYJCZKMBIHZZBO-WXUKJITCSA-N", "SMILES:COc1ccccc1/C=C/C(=O)C(C)(C)C(=O)/C=C/c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHFKRZBDHPNTR-WXUKJITCSA-N", "SMILES:COc1cccc(OC)c1/C=C/C(=O)C(C)(C)C(=O)/C=C/c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCAHZXQINLXLY-PHEQNACWSA-N", "SMILES:COc1cccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKFCXKWGQSSOPE-WGDLNXRISA-N", "SMILES:COc1cc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJANLEBNPRFJLB-NXZHAISVSA-N", "SMILES:CC(C)(C(=O)/C=C/c1ccc(O)c(O)c1)C(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMZAMVBGQWOHT-UTLPMFLDSA-N", "SMILES:COc1ccc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1645488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMPVEXPVBIKIZ-MKICQXMISA-N", "SMILES:COc1cc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIWZQGTNVZJGO-GXHWQPOYSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)[C@@H]4CC[C@@H](C(C)(C)O)O4)CC[C@@H]23)C[C@@H](O)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFEREDUWILIRPI-FOPXFMLJSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@]2(C)C[C@@H](CC(C)(C)O)CO2)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRQFYUYWCNGIN-PEJFXWBPSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4088053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIWZQGTNVZJGO-WKBHYAOGSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)[C@@H]4CC[C@H](C(C)(C)O)O4)CC[C@@H]23)C[C@@H](O)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIWZQGTNVZJGO-AOWJSLKNSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC[C@@H](C(C)(C)O)O4)CC[C@@H]23)C[C@@H](O)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYIYLVMTBPAZLA-ZDUSSCGKSA-N", "SMILES:CCO[P@](=O)(SCC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYMEEKGQIDXRF-UHFFFAOYSA-N", "SMILES:CC(c1ccc2ncc(-c3cnn(C)c3)cc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJPZPJZLJYGEZ-UHFFFAOYSA-N", "SMILES:CC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nnc2ncc(-c3ccncc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFAQDTSJOKGCKI-UHFFFAOYSA-N", "SMILES:CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3cnn(C)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKUEZFECJGOFN-UHFFFAOYSA-N", "SMILES:CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3cnn(CCO)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUAJMKDHKDZHQN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cnc3nnn(C(C)c4c(F)cc5ncc(-c6cnn(C)c6)cc5c4F)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNQFWVJJQCBOFV-UHFFFAOYSA-N", "SMILES:CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3ccncc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDLSOMJHYNKGRN-UHFFFAOYSA-N", "SMILES:CC(c1ccc2ncc(-c3cnn(C)c3)cc2c1)n1nnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAVMWJGQBAWVDP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cnc3nnn(C(C)c4ccc5ncc(-c6cnn(C)c6)cc5c4)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONSMCOQYXXRVFK-UHFFFAOYSA-N", "SMILES:CC(c1ccc2ncc(-c3cnn(C)c3)cc2c1)n1nnc2ncc(-c3ccncc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAEJVMUOLGBSAR-UHFFFAOYSA-N", "SMILES:CC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nnc2ncc(-c3cnn(C)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYNFOKJIPSYGZ-UHFFFAOYSA-N", "SMILES:CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUKQVZNTLUXOBR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccc(NC(=O)c4cccs4)cc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBAXBJGMRVTJRB-LUZURFALSA-N", "SMILES:COc1cc(C=C(C(=O)/C=C/c2ccc(O)c(OC)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1669727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBDUTHOKTVXIB-YOYBCKCWSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(OC)c(OC)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKYWKYUBMNXKSM-INOXDZRUSA-N", "SMILES:CCOc1ccc(C=C(C(=O)/C=C/c2ccc(O)c(OC)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLTVKAVQCIVLIT-INOXDZRUSA-N", "SMILES:CCOc1cc(/C=C/C(=O)C(=Cc2ccc(OC)c(OC)c2)C(=O)/C=C/c2ccc(O)c(OCC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCSNJLGYYVNFJ-WFYKWJGLSA-N", "SMILES:CCOc1cc(/C=C/C(=O)C(=Cc2ccccc2)C(=O)/C=C/c2ccc(O)c(OCC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDUVHIQRONFLP-YOYBCKCWSA-N", "SMILES:CCOc1cc(/C=C/C(=O)C(=Cc2ccc(O)c(O)c2)C(=O)/C=C/c2ccc(O)c(OCC)c2)ccc1O"]}
{"name": "Extracellular superoxide dismutase [Cu-Zn]", "xref": ["CHEMBL.TARGET:CHEMBL2069159"], "id": "UniProtKB:P08294", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBOLDYRDLNIPBU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CC(=O)CC2CCN(Cc3ccccc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3311372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVIBQLRHCRSAC-VPEWLHCBSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](OCC(=O)N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEQDPTUKAHKORV-UHFFFAOYSA-N", "SMILES:CCCCCCCN1C(=O)c2cc(O)cc(O)c2C1=O"]}
{"name": "Interferon regulatory factor 3", "xref": ["CHEMBL.TARGET:CHEMBL4105802"], "id": "UniProtKB:P70671", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIVKAIYQSXLPQG-LONJNLMYSA-N", "SMILES:C[C@@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@@H]3O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUOBHRYBCIIML-FXZLAUFESA-N", "SMILES:C[C@@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@@H]3O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSZIBJARJFEKL-CGQNXVKNSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCOSNQJVPTNMC-BUCNMUNNSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1766779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUIHHZKTCSNTGM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POICVPWOGNWWIM-UHFFFAOYSA-N", "SMILES:C/S(=N\\C#N)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKVLYFDLKSNGSZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=NC#N)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHRXBZPJRMGOAL-UHFFFAOYSA-N", "SMILES:CS(=N)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVAMDEYUWMTDOW-UHFFFAOYSA-N", "SMILES:CN=S(C)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNKOIPSYFCFPPS-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILXVNGJDYBXBLK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc(C2(O)CCC2)s1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBKGPVHXOKOOE-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)C(c1cc(Br)ccc1F)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUFANRSCLZKORJ-OUKQBFOZSA-N", "SMILES:O=c1c2ccccc2nc(/C=C/c2cccnc2)n1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1887735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQNDWTVLZSMOQU-FMIVXFBMSA-N", "SMILES:O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL348436", "category": ["biolink:ChemicalEntity"], "name": "CIRSIMARITIN", "xref": ["InChIKey:ZIIAJIWLQUVGHB-UHFFFAOYSA-N", "SMILES:COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4087976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJNIFTCQSJFIHO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccco3)=Nc3ccccc3S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKPAKKOQIQMQRC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncccc4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGDYRCIWRHRFPK-OWOJBTEDSA-N", "SMILES:Oc1ccc(/C=C/c2cc(Br)c(O)c(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGFWSMPUFUROT-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDPFOPUPRMKCL-SJLPKXTDSA-N", "SMILES:COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPHAPZIKCGUXLJ-GOSISDBHSA-N", "SMILES:COc1ccc(F)c(N2CCC(Oc3ccc(N4CCC[C@@H]4CC(=O)O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STIQTZQCXKZGNH-TZIWHRDSSA-N", "SMILES:COc1ccc(F)c(N2CCC(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBVSRFRVALTZDS-LSOHHRALSA-N", "SMILES:COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCQVDWCTFVSWTD-YQVWRLOYSA-N", "SMILES:COc1ccc(F)c(N2CC[C@H](COc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCQVDWCTFVSWTD-ZHALLVOQSA-N", "SMILES:COc1ccc(F)c(N2CC[C@@H](COc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLSCGRLMPJHDQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFJPDXHVAIHHP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Nc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLUCZAFFISCTI-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Nc1ccc(Oc3ccccc3)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRJWAARCOBEVOL-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTAVSAARNQYTL-AGJHTDJMSA-N", "SMILES:CCNc1ccc(-c2[nH]c3cc(C(=O)NCCOCCOC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)ccc3c(=O)c2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUHXLDJCYYUNT-MHZLTWQESA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCHHPOEULHRMT-PMERELPUSA-N", "SMILES:COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKZKOACZFIOQD-SANMLTNESA-N", "SMILES:CCCNNC(=O)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWILUIVAYLRFIY-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUDUMCCMFRYVOR-HVEPFCGMSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAZIDKQLNAGNBP-HUZZHFCNSA-N", "SMILES:C[C@H](NC(=O)c1cccc(NC(=N)N)c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCILOMUUNVPIKQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXEXTVGTDZRKJS-LLVKDONJSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)C3CC3)C2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXEXTVGTDZRKJS-NSHDSACASA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)C3CC3)C2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYOJDPAOLGRZFC-IWXKUNQBSA-N", "SMILES:COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c2ccc(O)c(OC)c2)C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZMRVWJVZPHNG-UMESLIDUSA-N", "SMILES:COC(=O)c1cc(NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c2ccc(O)c(OC)c2)C(C)C)cc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UONZPKPQQQCMTG-IWXKUNQBSA-N", "SMILES:CCOC(=O)c1cc(O)ccc1NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJADINMMMZQONJ-OOTWWYRSSA-N", "SMILES:CCOC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJADINMMMZQONJ-GACFXBDPSA-N", "SMILES:CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUSGRQOVKTDNV-WCYCAPIHSA-N", "SMILES:CCOC(=O)C1CCN(C(=O)[C@@H](NC(=O)CNC(=O)/C=C/c2ccc(O)c(OC)c2)C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDQMPBOYJTKBU-IDSCNBMUSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)C(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPWDFBAVVUNDG-QTVNVXQXSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRHAHDNSHVKNW-ARNRTBJWSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPCZCINACHTWMG-GBBDAIBUSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C1CC1c1ccc(F)c(F)c1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHSKQFDSINQUAK-UYGCOELJSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)/C=C/c1ccc(F)c(F)c1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYIYWBKIKQJDS-LIONHTAISA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKYXNXUZXACLPI-VEDUZIRPSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)/C=C/c1ccccc1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWFSWHFAJCBBZ-PXJZQJOASA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRZZVWZLVGNCBE-FJQRSJHESA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBWDPMYVXQULW-LTLARIRFSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C1CC1c1ccc(F)c(F)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIDKJKAOQTRAU-CDDWAKIKSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(F)c(F)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWJRTVKRGJDPGT-VAWZGJIGSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccccc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPPAXKASUQTMB-ITUHNFCISA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBLYZQGUVZJKDH-LXFBAYGMSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076124", "category": ["biolink:ChemicalEntity"], "name": "LSZ-102", "xref": ["InChIKey:SJXNPGGVGZXKKI-NYYWCZLTSA-N", "SMILES:CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1"], "synonym": ["Lsz-102", "Lsz102", "LSZ-102", "LSZ102"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXBHXGYYBYXOB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFBJMDDPDNCHB-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMDLUAQAQGBIOG-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(CCCN3CCN(c4ccccn4)CC3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCBDRSHBUPFMHP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDUBABHFPOEALG-FTQZTZQQSA-N", "SMILES:C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)C5C(=O)OC[C@]54[C@H]2CC[C@@H]1[C@H]3OC(=O)CCCC(=O)OCc1cn(C)c2c1C(=O)C(OC)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLUQHKPSGRJTIM-QGMBQPNBSA-N", "SMILES:Cc1sc2ncnc(N/N=C/c3ccccc3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBNWPGTZXAGMHN-UHFFFAOYSA-N", "SMILES:CC(N(C)Cc1nc2ccccc2c(=O)[nH]1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMZBLUKRYWASH-UHFFFAOYSA-O", "SMILES:COc1cnc(C2CCCc3c4[nH]c5ccccc5c4c(OC)c[n+]32)c2[nH]c3ccccc3c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4095841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNJRQNCWHCCBZ-AVIKLCGHSA-N", "SMILES:C=C1CC[C@@H]2C(C)(C)C(OC(C)=O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL461615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHWOKJDCJVESIF-JBCDFXQESA-N", "SMILES:C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL102201", "category": ["biolink:ChemicalEntity"], "name": "COPALIC ACID", "xref": ["InChIKey:JFQBNOIJWROZGE-HPMXROJMSA-N", "SMILES:C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4099730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWHOQSLBMONPJ-WKGMFPAASA-N", "SMILES:C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)Nc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTOWGLSJZIIZNJ-DTGSVDDBSA-N", "SMILES:C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVQRALXQYXHAK-HVPUSVJISA-N", "SMILES:C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGJUJNSFCLURD-MCCODWFKSA-N", "SMILES:C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYAACBMJPDKNF-APAVKTADSA-N", "SMILES:C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)Nc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPDAIVUPOJTTJ-YDVNZTIGSA-N", "SMILES:C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)Nc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAAAJHGLNDAXFP-VNKVACROSA-N", "SMILES:CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](NC(C)=O)[C@@H](OCC(=O)N[C@@H](CC)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIIAOORPBAARC-MYOZDFBOSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1OC(O)[C@H](NC(C)=O)[C@@H](OCC(=O)N[C@@H](CC)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMHNPAETXOBQK-DMLOAWKYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](OCC(=O)N[C@@H](CC)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWKWUOTYACXEG-OFIIPOAQSA-N", "SMILES:CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H]1[C@H](O[C@H]2[C@H](OCC(=O)N[C@@H](CC)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXLGGKFRVHMZNN-YFKRVWDYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](CC)NC(=O)CO[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYGZPAPAFWABL-UEUWUCPYSA-N", "SMILES:CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](CC)NC(=O)CO[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCIMIIUBGNMHBH-BLLKFSKTSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](CC)NC(=O)CO[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEFFUNHJJXSYKE-NKPJTXKYSA-N", "SMILES:CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](CC)NC(=O)CO[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWCYDOMADJBCEO-HOJOVNGYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1OC(O)[C@H](NC(C)=O)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWVSDVSYIOLCJB-OXMILCLPSA-N", "SMILES:C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(=O)CO)C(=O)N[C@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXSTONEOYYQBU-QVZKIMBRSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYTIDEABCLQTHS-XBUVHAHXSA-N", "SMILES:CC(C)=CCC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(COC(=O)CNCc2cn(CCOCCOCCOC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)=C\\C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXSOFOQMLGTPM-QUFRTESNSA-N", "SMILES:CC(C)=CCC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(CN2CCN(C)CC2)=C\\C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCZUYGFLWBJNCB-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRVSAOLYGPTNR-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1617447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGNAPWDGOUVUBN-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)Cc1ccccc1Sc1cccc2ccccc12"]}
{"name": "Histone-lysine N-methyltransferase PRDM9", "xref": ["CHEMBL.TARGET:CHEMBL3588737"], "id": "UniProtKB:Q9NQV7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKQZQDYGXAUHC-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAGURLYGCFFPQV-UHFFFAOYSA-M", "SMILES:O=C(CCCCC1CCSS1)NCCCS(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRBCHMCWWOHRQL-UMXFMPSGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTLCQXCIFPDOSV-WMPMYZHYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADUCRCPWDOQGKB-IGRPPLTQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)C[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRALKWCFQZPIAC-KYGNEKHWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMCGJBDNFLZADD-YVCLBYDQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C[C@@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWYSQZKANFQAJM-IGRPPLTQSA-N", "SMILES:CC[C@H](C)[C@@H](CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEYOBPBGZKHBC-DOENSCIESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMOBIVJFGSRSPV-DOENSCIESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUVRAJOBAYVMHB-DOENSCIESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFMZZHIWPSCVTI-JBHLXMFPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYLACSJTNXLNHY-BODZVZEHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYBRPZQOQPYFK-JBHLXMFPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNGFZXVEFLYTA-MQTIHCKBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLKXKYQXGFOZOX-ZPUWTGPISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKKCZCOUUVHFA-MQTIHCKBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQRNGOSKQUJSJM-RZWBACSGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXNQAOGKURJFJW-RVVBZPASSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLAWOLRALKNVFL-LXKGIMHQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOFYCTUSZAVSDG-MTKKRELOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEJWDDSYEBXPSA-ZNISVHHASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTJVTMXUNTCEG-WBTWNKCNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHDLZAHOUZEFG-PGCMPVGCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSIIDUIJFVBEML-BHWGGWLOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUCHPMOWLLDGCJ-OBASUGJZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIXBKLKSOFJYJC-PYAXXAATSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVLPCIBKVWFDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPAUANNQZYAPP-UHFFFAOYSA-N", "SMILES:Oc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUVSZMWWAICFO-LZYBPNLTSA-N", "SMILES:COc1ccc(CN(CC(=O)NC(C)C)C(=O)/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOUPGKUHDXMZNF-LDADJPATSA-N", "SMILES:COc1ccc(CN(CC(=O)NC(C)C)C(=O)/C(C)=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSRRDVNHPMUHDT-MFKUBSTISA-N", "SMILES:COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCCn2ccnc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZUVNSDFKBOFKH-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CC(=O)NC(C)C)C(=O)C[n+]2ccc(/C=N\\O)cc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADDVIISRDAKKI-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCC[n+]2ccc(/C=N/O)cc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDBJUNPOUAYRS-SRZZPIQSSA-N", "SMILES:COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCNC(=O)/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDOGACTWVDWVPH-YDZHTSKRSA-N", "SMILES:COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCCNC(=O)/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYSMHPFUJLIFW-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCC[n+]1ccc(/C=N/O)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWGGXAQFANOPCN-UHFFFAOYSA-N", "SMILES:O=C(O)C[n+]1ccc(/C=N/O)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYTLPJXUQDCWQX-YDZHTSKRSA-N", "SMILES:COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCn2ccnc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFSISUYNBCGRT-OGLMXYFKSA-N", "SMILES:COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCn2ccnc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCBUZDSFQVIWHN-LFVJCYFKSA-N", "SMILES:CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCn1ccnc1/C=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZJPLNCPLJYBU-UHFFFAOYSA-N", "SMILES:C[n+]1ccn(CCCCCC(=O)O)c1/C=N/O.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQBSFMMWTCXPMS-RWNJCICYSA-N", "SMILES:NC(=O)CN1C[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCC(=O)O)C[C@H](CCC(=O)O)NC(=O)CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H](CCC(=O)O)NC(=O)CN(C(=O)CCC2CCCCC2)C[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CSCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTGYZMBQPXTCQ-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJVYXMINSBMUHH-QAQDUYKDSA-N", "SMILES:c1nc(N[C@H]2CC[C@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1"]}
{"name": "Serine/threonine-protein kinase haspin", "xref": ["CHEMBL.TARGET:CHEMBL1075163"], "id": "UniProtKB:Q8TF76", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZBARTUEWCQNSN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NO)cc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYLQWMWQFORRJD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONGNZPREHFFCOZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NO)cc1NCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVRDNCZCPXENL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRWYFJYXXBWLI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NO)cc1NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKVRIIESWJRSI-UHFFFAOYSA-N", "SMILES:CN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIHBOOKOQZGYSF-UHFFFAOYSA-N", "SMILES:COCCN(CC1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USLAKXOUSLQTMC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OS(N)(=O)=O)NC(=O)N(Cc1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWYYFLVPVDFSF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OS(N)(=O)=O)NC(=O)N(Cc1ccccc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHMCCLSBDFCMS-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN1Cc2cc(OC)c(OS(N)(=O)=O)cc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNQAMHIMKFJPH-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(c(=O)oc2cc1OS(N)(=O)=O)CCCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEFXTNBQNJQST-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCN(Cc1cc(Br)c(OC)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADBCEQHRUPPSL-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3cc(OS(N)(=O)=O)ccc3C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDDDLYHGSUVNN-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3cc(O)ccc3C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYFQWYLNDKTKQI-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1OS(N)(=O)=O)CCN(Cc1cc(Br)c(OC)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKZZMQUGOCEMRC-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1OS(N)(=O)=O)CCN(Cc1cc(OC)c(OC)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKGKYGVMDYOAQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OS(N)(=O)=O)CCN(Cc1cc(OC)c(OC)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDIWCHYTKOPHPS-QFIPXVFZSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLOQFPUTGGMQW-QHCPKHFHSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCOC)cc4)nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUGDZUDMRWARAQ-DEOSSOPVSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFMCNSQIDKPRX-DEOSSOPVSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTPBBJGTXYTGN-VWLOTQADSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQKELFVIZDWRC-QFIPXVFZSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAPOFLCQDSXTE-FQEVSTJZSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC(F)F)cc4)nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGILVJTMOEWMR-UHDJGPCESA-N", "SMILES:CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1cccc2cc[nH]c12.Cl"]}
{"name": "4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)", "xref": ["CHEMBL.TARGET:CHEMBL3832958"], "id": "UniProtKB:Q8NUQ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:196620"]}
{"name": "4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)", "xref": ["CHEMBL.TARGET:CHEMBL4105865"], "id": "UniProtKB:Q2FDU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:367830"]}
{"name": "4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)", "xref": ["CHEMBL.TARGET:CHEMBL4105905"], "id": "UniProtKB:Q99R76", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:158878"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPAOFJRNBDFSD-USRGLUTNSA-N", "SMILES:CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1coc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZSJOLDICPVVAV-YBFXNURJSA-N", "SMILES:O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPBCLOCWXXEQLK-SRZZPIQSSA-N", "SMILES:COc1cc(Br)ccc1C(=O)N/N=C/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYQEZJNFVOHQG-UFFVCSGVSA-N", "SMILES:Nc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWBRLIGMFVPRJ-YBFXNURJSA-N", "SMILES:O=C(N/N=C/c1ccc2cc(O)ccc2c1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCCIJNKMYSLRS-DKVILZSDSA-N", "SMILES:CN(C)c1ccc(-c2c3nc(c(-c4ccc(N(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc(c(-c5ccc(C(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCPXDPGPWYINM-NMNPZVDOSA-N", "SMILES:NC(=O)c1cccc(CCN(CCC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"name": "Nicotinamide N-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2346486"], "id": "UniProtKB:P40261", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPBBPMEIZXXDN-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)CSc2ccccc2)cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDQAPTULMMFKX-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccs2)nc(SCc2cccc(-c3nnn[nH]3)c2)[nH]c1=O"]}
{"name": "2-amino-3-carboxymuconate-6-semialdehyde decarboxylase", "xref": ["CHEMBL.TARGET:CHEMBL4105941"], "id": "UniProtKB:Q8TDX5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQYGCGMQYVVIB-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccs2)nc(SCc2cccc(CC(=O)O)c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSKRBVXRDGYAS-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383634", "category": ["biolink:ChemicalEntity"], "name": "GLIQUIDONE", "xref": ["InChIKey:LLJFMFZYVVLQKT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C"], "synonym": ["Gliquidone", "Gliquidone", "Gliquidone", "Gliquidona", "Gliquidone", "ARDF 26", "ARDF-26", "Glurenorm"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1555126", "category": ["biolink:ChemicalEntity"], "name": "LANOCONAZOLE", "xref": ["InChIKey:ZRTQSJFIDWNVJW-WYMLVPIESA-N", "SMILES:N#C/C(=C1/SCC(c2ccccc2Cl)S1)n1ccnc1"], "synonym": ["Lanoconazole", "Lanoconazole", "Lanoconazol", "Astat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211501", "category": ["biolink:ChemicalEntity"], "name": "ANTIMYCIN A", "xref": ["InChIKey:UIFFUZWRFRDZJC-SBOOETFBSA-N", "SMILES:CCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1592", "category": ["biolink:ChemicalEntity"], "name": "QUINAPRIL", "xref": ["InChIKey:JSDRRTOADPPCHY-HSQYWUDLSA-N", "SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O"], "synonym": ["Quinapril", "Quinapril", "Quinapril", "Quinapril", "C09AA06"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1077", "category": ["biolink:ChemicalEntity"], "name": "BROMFENAC", "xref": ["InChIKey:ZBPLOVFIXSTCRZ-UHFFFAOYSA-N", "SMILES:Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1"], "synonym": ["Bromfenac", "Bromfenac", "Bromfenac", "Bromfenaco", "Bromfenac", "Bromfenac", "ISV-303"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL621", "category": ["biolink:ChemicalEntity"], "name": "TRAZODONE", "xref": ["InChIKey:PHLBKPHSAVXXEF-UHFFFAOYSA-N", "SMILES:O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12"], "synonym": ["Trazodone", "Trazodone", "Trazodone", "Trazodona", "Trazodone", "Trazodone", "Trittico", "J10.767K"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL493636", "category": ["biolink:ChemicalEntity"], "name": "SULFANITRAN", "xref": ["InChIKey:GWBPFRGXNGPPMF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1"], "synonym": ["Sulfanitran", "Sulfanitran", "NSC-217299", "NSC-77120", "Sulfanitran component of unistat 2", "Sulfanitran"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4066819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENJFZKQHYXRDQ-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGWCRXQUBYJTRA-ZIADKAODSA-N", "SMILES:COC(=O)c1ccc2c(c1)/C(=C(/Nc1ccc(N(C)C(=O)CN3CCN(C)CC3)cc1)c1ccccc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQLAAPVUVOTRGG-HUDOLUFHSA-N", "SMILES:CN(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTHRKHFOJAZJP-HUDOLUFHSA-N", "SMILES:CN(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)c1cc(-c2ccc(F)cc2F)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMPQPMHRDDZMP-IJBWYZRXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMJRHUMYBYDIX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc([S+](C)[O-])n2C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCAYFOQWMBYHH-HTAPYJJXSA-N", "SMILES:C#Cc1ccc(Br)c(C(=O)Oc2cc(C)c3c(c2C)[C@@H]2OC(=O)C(=C)[C@@H]2CC3)c1"]}
{"name": "Ubiquitin-conjugating enzyme E2 D3", "xref": ["CHEMBL.TARGET:CHEMBL4105911"], "id": "UniProtKB:P61077", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRBNWCSCHCJSLT-LAUBAEHRSA-N", "SMILES:C=C1C(=O)O[C@H]2c3c(C)c(OCc4ccccc4Br)cc(C)c3CC[C@@H]12"]}
{"name": "Ubiquitin-conjugating enzyme E2 L3", "xref": ["CHEMBL.TARGET:CHEMBL4105871"], "id": "UniProtKB:P68036", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-conjugating enzyme E2 C", "xref": ["CHEMBL.TARGET:CHEMBL4105834"], "id": "UniProtKB:O00762", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWIIZJKDMGUIFI-JCFGHGFSSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](O)CC3[C@](C)(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVJGWDQEJDWTD-SMDDNHRTSA-N", "SMILES:C=C1C(=O)O[C@H]2c3c(C)c(O)cc(C)c3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVCMEACSFPNIEM-MCTVUNBZSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3[C@@H](C)[C@@H](O)CC[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLGOWOKDLUJCRB-PCNUEWBOSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](OC(=O)c4ccccc4)CC3[C@](C)(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZXTCCQWMFDNQ-PCNUEWBOSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](OC(=O)c4ccc(Cl)cc4)CC3[C@](C)(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBLWKZFQAYPOM-XRWDMMNNSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](OC(=O)c4ccc(C)cc4)CC3[C@](C)(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVCNCMZHNOOSO-XRWDMMNNSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](OC(=O)c4ccc(OC)cc4)CC3[C@](C)(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVHPDMNGAYLCND-OZDKUXIFSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](OC(=O)/C=C/c4ccc(Cl)cc4)CC3[C@](C)(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLDTJSIDZCSNP-OZDKUXIFSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](OC(=O)/C=C/c4ccc(Br)cc4)CC3[C@](C)(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANDKMUQWQRNFO-CYWXRAARSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](OC(=O)/C=C/c4ccc(C)cc4)CC3[C@](C)(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZOKJADHKMJWNY-HMTFZKAZSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](OC(=O)/C=C/c4ccc(OCCC)cc4)CC3[C@](C)(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWNKOJBAOWRAB-WKSFWCIKSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)CC3[C@](C)(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMUPTGMROFURSI-SWMHYREXSA-N", "SMILES:C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4ccc(OC(F)(F)F)cc4)cc(C)c3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHBNBZBXUWLBW-QFBILLFUSA-N", "SMILES:C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4cccnc4)cc(C)c3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBDKZDDFGJUCSC-ROORDGKBSA-N", "SMILES:C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4cccs4)cc(C)c3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNINCXOLPNSAAT-KHMGOCISSA-N", "SMILES:C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4cccnc4)cc(C)c3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOZQNOPKEYZUAR-LAUBAEHRSA-N", "SMILES:C=C1C(=O)O[C@H]2c3c(C)c(OCc4ccccc4C(F)(F)F)cc(C)c3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBDHMTSVCRKHJX-GHTZIAJQSA-N", "SMILES:C=C1C(=O)O[C@H]2c3c(C)c(OCc4ccc(OC(F)(F)F)cc4)cc(C)c3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYWADOKJRTPCP-ZRKBWRQMSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3[C@@H](C)[C@@H](OC(=O)c4cccc(I)c4)CC[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDZLEJKGJJVCL-ZRKBWRQMSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3[C@@H](C)[C@@H](OC(=O)c4ccc(I)cc4)CC[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDFYKMPLISRCPE-CQNIPDOXSA-N", "SMILES:C=C1C(=O)O[C@@H]2C3[C@@H](C)[C@@H](OC(=O)c4ccco4)CC[C@]3(C)CC[C@@H]12"]}
{"name": "Ubiquitin-conjugating enzyme E2 D1", "xref": ["CHEMBL.TARGET:CHEMBL4105766"], "id": "UniProtKB:P51668", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-conjugating enzyme E2 D2", "xref": ["CHEMBL.TARGET:CHEMBL4105990"], "id": "UniProtKB:P62837", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-conjugating enzyme E2 D3", "xref": ["CHEMBL.TARGET:CHEMBL4105725"], "id": "UniProtKB:P61079", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRNIMDDQCZHAFA-SCFTVSGOSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C[C@H]12)[C@@H](C)CC[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4059969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQCPUCWXDPWHU-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)c1ccc(NC(=O)c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUUQFVALFPRTI-XDHOZWIPSA-N", "SMILES:CCCOc1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDOZWWBHVIGDS-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGZELYIYNDPAS-HEOYSNLDSA-O", "SMILES:CSCCOP(=O)(NCCc1c[nH]c2ccccc12)OC[C@H]1O[C@@H](n2c[n+](CCOc3ccc(Cl)cc3)c3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1387422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNKNJCWLQLQMJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCC(C)c4ccccc4)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXNWFRGUZJFLG-CZNDPXEESA-N", "SMILES:O=C1c2ccccc2N[C@@H](c2ccccc2F)N1CCN1CCC(N2C(=O)c3ccccc3N[C@H]2c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYOESHORJKVDW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCC(=O)N4CCC(N5C(=O)c6ccccc6NC5c5ccccc5F)CC4)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMDFHVNOCVOCD-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2NC(c2ccccc2F)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBEUOFYUAJUPQX-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3cccc(c23)N1c1ccc(-c2ccccc2)cc1"]}
{"name": "Acid-sensing ion channel 1", "xref": ["CHEMBL.TARGET:CHEMBL3562170"], "id": "UniProtKB:P55926", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBBCFWWSKOHTH-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4095596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLKDFQWSQARBW-UHFFFAOYSA-N", "SMILES:CC(CCCCCC(=O)NO)n1cc(-c2ncnc3[nH]ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMPZODPRXQXGKA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(NCCCn2cc(-c3ncnc4[nH]ccc34)cn2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDWZNDDTLRWKX-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(CCCn2cc(-c3ncnc4[nH]ccc34)cn2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYLHDTWWNMYTC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCCCCn1cc(-c2ncnc3[nH]ccc23)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMDGRZGTYIOOPD-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCn1cc(-c2ncnc3[nH]ccc23)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRVLBINSXVLFM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(-c2ncnc3[nH]ccc23)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGSAWKSEBQCHM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(-c2ncnc3[nH]ccc23)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIIOYBVKNFELH-UHFFFAOYSA-N", "SMILES:O=C(CCCCn1cc(-c2ncnc3[nH]ccc23)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXNAXQRQSQHDO-UHFFFAOYSA-N", "SMILES:O=C(CCCn1cc(-c2ncnc3[nH]ccc23)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNKDRJPQOULABN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(NC(=O)CCCn2cc(-c3ncnc4[nH]ccc34)cn2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUXALDSNHVMDFU-QPJJXVBHSA-N", "SMILES:O=C(/C=C/c1ccc(NCCCn2cc(-c3ncnc4[nH]ccc34)cn2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKDBXDGKLQALIZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLLJXWXMLLAKKZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)CCOc2ccc(C(C)(C)CC(C)(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDGJBQHQLDKNJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)CCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1882801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDACLQVAGIDMT-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGUUNZVMTXKKDT-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTGXMXCSXFSJX-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(N)nc3[nH]cc(C#N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSPXRTYMEVDHAB-FOQIAJMMSA-N", "SMILES:CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)C[C@H](CC)N1C(=O)O[C@H]1CC[C@H](C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIGDXFCDNWREER-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMONUKOAYAMZIR-UHFFFAOYSA-N", "SMILES:Cn1c2ccc(-c3ccccc3)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJVXUFLTNOZEU-UHFFFAOYSA-N", "SMILES:Cn1c2ccc(-c3ccc4ccccc4c3)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHRBISORQRCUON-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3nc(SCC(=O)NC4CCCCC4)n(-c4ccccc4)c(=O)c31)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKUFWVJWSXXEG-DJHGDBCZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@H]2CCCCNC(=O)CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"name": "Growth factor receptor-bound protein 7", "xref": ["CHEMBL.TARGET:CHEMBL1649051"], "id": "UniProtKB:Q14451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKJRYZOYRZGBJU-DJHGDBCZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@H]2CCCCNC(=O)CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(C(=O)O)cc3)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXDUHWPEAXOFRM-MKFVRFHQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPFFGOJMNXCIP-MKFVRFHQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2ccc(C(=O)O)cc2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOQKJHSDKVELR-UHFFFAOYSA-N", "SMILES:Cc1nc(O)cc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBXYSZUJHLDOOB-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1cccs1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBCPMYJIARMGV-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(C(=O)O)c4)c(S(=O)(=O)NC4CC4)cnc3c2)c(OC)n1"]}
{"name": "L-lactate dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL4105929"], "id": "UniProtKB:V9HWB9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFXXEIVBZJOAP-RUZDIDTESA-N", "SMILES:O=C1N[C@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HADCVZAHKWNLJA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(F)c3)nn(-c3nc(C(=O)O)cs3)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXSFBKRZYZNXNV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJORCZKMBZYCR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMRHUJKYQIREP-MYHBJLNCSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKUFOSYLIYVIGY-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHHUZUNLIGTBY-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFMUBWAYZJMZAS-UHFFFAOYSA-N", "SMILES:Cn1c(SCCCN2CCC3(CC2)CCN(c2ccc(F)cc2)CC3)nnc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJYYBRPTBQFCBQ-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWEMGIQYCJPRLW-UHFFFAOYSA-N", "SMILES:O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(-c3ccccc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJHFWBVPBSSGR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c[nH]c2c(C(C)C)nc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2270066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXAUTQFAWKKNLM-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4072960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STDGBEKVJJKVNB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJQCDAAODIMGGK-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc(-c3ccc4cc(Br)ccc4c3)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUEPJIGXQLIOIK-UHFFFAOYSA-N", "SMILES:COCCCc1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMLFCIYKDWAIW-UHFFFAOYSA-N", "SMILES:Fc1cccc(OCC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDXZVIPEGXFJOX-UHFFFAOYSA-N", "SMILES:CN1CCC(c2noc(-c3ccc(O)cc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNQWLDHACWEQSH-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc(C3CCNC3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPAMUMWRDBDDCV-UHFFFAOYSA-N", "SMILES:CNc1cccc(-c2ccccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYSSYGGXOFJKK-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(C(=O)NC)nc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHYXJQQBKROZDX-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWHBWHVPDARATH-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(-c2ccc(O)cc2)cc1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXJZRFLBUBYEPV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUIQMETZHJGDMY-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc(CN5CCOCC5)c(C(F)(F)F)c4)c4ccccc34)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTGFZUPLFGBDKE-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCTJLRDEEBEWHL-VIFPVBQESA-N", "SMILES:C[C@H]1Cc2c(nnn2-c2ncc(F)cn2)CN1C(=O)c1cccc(C(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259112", "category": ["biolink:ChemicalEntity"], "name": "TRICHODERMAMIDE B", "xref": ["InChIKey:ROOWAKADKHUVSQ-OVCSSCHWSA-N", "SMILES:COc1ccc2cc(NC(=O)C3=NO[C@H]4[C@H](O)C=C[C@@H](Cl)[C@@]4(O)C3)c(=O)oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4078658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEYDBBDMWLUESL-JQTRYQTASA-N", "SMILES:C[C@H]1CCC/C=C/C(=O)c2c(O)c(Cl)c(O)c(Cl)c2CC(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3747513", "category": ["biolink:ChemicalEntity"], "name": "CB-5083", "xref": ["InChIKey:RDALZZCKQFLGJP-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2"], "synonym": ["Cb 5083", "Cb-5083"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4079902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAGBIXROTXKHY-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc(O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYAJNRSQZJOZSL-YLFUTEQJSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1cc[n+](Cc3ccccc3F)cc1)C2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFKETNCAMHDIE-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccc(CCNC(=O)c2cc(C(F)(F)F)ccc2Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFHCEBAWIQEUHF-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2c1ccc1c2c(=O)oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRAGHAGEXPAYKO-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2c1ccc1c2c(=O)[nH]c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWBFDGORDYYNP-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2c1ccc1c2c(=O)[nH]c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOQGBAQMZAEQDR-DTQAZKPQSA-N", "SMILES:CCN(CC)CCCC(C)Nc1nc(/C=C/c2ccccc2)nc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVVMGWKAXMWAM-PKNBQFBNSA-N", "SMILES:CCN(CC)CCCC(C)Nc1nc(/C=C/c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFXCNVAHXPVJU-ZVHZXABRSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCCMFKYMWHLSJG-ZMOGYAJESA-N", "SMILES:Cc1cc(C(=O)N/N=C/c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATTXEUTXWETLT-ZMOGYAJESA-N", "SMILES:Cc1cc(C(=O)N/N=C/c2ccc(Cl)cc2)c2c(C)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOXVWSJOZPHQMB-ZMOGYAJESA-N", "SMILES:Cc1cc(C(=O)N/N=C/c2ccc(Br)cc2)c2c(C)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWORVLOZXDWPV-YDZHTSKRSA-N", "SMILES:Cc1cc(C(=O)N/N=C/c2ccc(O)cc2)c2c(C)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOJWCUFCUWAAAM-YDZHTSKRSA-N", "SMILES:Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2c(C)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYUNFMHQMGDFMD-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3cccc(c23)C(=O)N1CCCCCCN=C=[Se]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43482", "category": ["biolink:ChemicalEntity"], "name": "MITONAFIDE", "xref": ["InChIKey:XXVLKDRPHSFIIB-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O"], "synonym": ["Mitonafide", "Mitonafida", "NSC-300288"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKBLVGDYWYJNQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWQRBCCRSUSWTH-ARQUTJHVSA-N", "SMILES:OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](SSCc3ccc(CSS[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)c4ccccc34)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUSRYUVUQZAREX-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(OCCCCCCN3CCC(Cc4ccccc4)CC3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTBKOXKCMUTMG-FYWRMAATSA-N", "SMILES:CCCCCCCCCCCCNC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSASKZXNWFVEF-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1CCC2(CC1)OC(CCO)Cc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFFDFRXRYJTGB-UHFFFAOYSA-N", "SMILES:OCCC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXAKFKRYBIZNH-UHFFFAOYSA-N", "SMILES:COC(=O)CC1Cc2ccccc2C(CCN2CCC(c3ccccc3)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHWLZBXCHTVJD-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2F)c(=O)oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAKXSPIZTBUUHB-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2Cl)c(=O)oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHSQXQNUUFFLM-CZTKLRHSSA-N", "SMILES:CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)c1ccc(O)cc1)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)CC3=CC[C@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDPEIMTRVDMGK-PONJDJETSA-N", "SMILES:C[C@@H](OC(=O)c1ccccc1O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C/c1ccccc1)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2046559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEXRIOKVROQFNA-GAKBQJCISA-N", "SMILES:COc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\\C)C(C)C)[C@@]3(C)[C@]4(O)CC[C@@]3(O)C(C)=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUXPXMHTLBDWCV-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCc3nc4ccccc4n3CCN(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMQRNIXMHDLTML-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUNEXHFFXFPGZ-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)NC3CN(c4cccnc4F)C3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJVXRWCCDDQSA-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)NC3CN(c4cc(F)nc(F)c4)C3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOUZFXBGAOJUKG-ZCMKTZCQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CO)[C@@H](C)CC)C(=O)NC"]}
{"name": "Atrial natriuretic peptide receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4711"], "id": "UniProtKB:P70180", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKCGCOWKCBGIJU-OSUNSFLBSA-N", "SMILES:NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIENUMIXYKGPQO-PMISCYOVSA-N", "SMILES:CC(C)(O)CCC[C@@H]1C[C@@]12CC[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWRPMAPSQAFOX-IBTKNCGYSA-N", "SMILES:CC(C)(O)CCC[C@H]1C[C@@H]2C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@@]21O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWRPMAPSQAFOX-ZTTZQGKJSA-N", "SMILES:CC(C)(O)CCC[C@@H]1C[C@@H]2C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIENUMIXYKGPQO-BVAGTOKMSA-N", "SMILES:CC(C)(O)CCC[C@H]1C[C@@]12CC[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQFUORWRVZTHT-OPTMKGCMSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3105076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWFSHBVFKCMHW-UHFFFAOYSA-N", "SMILES:Nc1ncnc2[nH]c(C(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1398729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNFSNWMELNTIW-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITJCKQTXCLGXHE-SFHVURJKSA-N", "SMILES:CCCCCCCOc1ccc(CC[C@](C)(N)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVIXQTWFGHNCNE-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(Nc2ccncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWWWKOQQLXOIX-UHFFFAOYSA-N", "SMILES:Nc1nc2nn(Cc3ccc(C4(C(F)(F)F)N=N4)cc3)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBQCQNFZCJXCS-JIXXOBRDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKOUYJALECUBSN-ADMHNHQESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYHBMYAKAQIREO-YFPMBZMFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCZJSDSNUPATN-MWMURLAQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITMRDRBGZWINQ-FTYCHHPPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZQOEPXHXOTQKH-VMOQKFNVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRBWSDDEUWQEJT-CHSBKBHZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHJRQBMGUGJJX-LSOJHTTISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)c1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJRVQUHGSEOFJ-HIPHHYRMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPVSXWRAVRYMOM-UORNQWODSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMQUXZHTCSQBQA-FTYCHHPPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCPWWZKGWQVTQ-VMOQKFNVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPHBDOKOGKMUHR-ADQBGCRRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARULNAONDKXRA-ADQBGCRRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHCLZPYSANCLM-ZJEQHWICSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL527870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMUNNKSZVRNYLZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(Cl)cc(Cl)c2)nc(N)n1"]}
{"name": "S-adenosylmethionine decarboxylase proenzyme", "xref": ["CHEMBL.TARGET:CHEMBL4105987"], "id": "UniProtKB:P50244", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRNBZZCEFQGVPX-UHFFFAOYSA-N", "SMILES:Nc1nccc(Nc2cc(Cl)cc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUMKUNMJWRLAX-MJSODCSWSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCC3CC3CCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "C-type lectin domain family 4 member E", "xref": ["CHEMBL.TARGET:CHEMBL4105754"], "id": "UniProtKB:Q9R0Q8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLJJDBSDZSZVTF-LXOQPCSCSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRKWOCITGHMASY-NUYONJDXSA-N", "SMILES:CCCCCCCCCCCCCCCCCCOc1cc(C)c(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4c(C)cc(OCCCCCCCCCCCCCCCCCC)cc4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXJIZPVDZGBKS-HFWVGAGESA-N", "SMILES:CCCCCCCOc1ccc(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4ccc(OCCCCCCC)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUZLZOQTCFTHGG-QLOFLHLESA-N", "SMILES:CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4ccc(OCCCCCCCCCCCCCCCCCC)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVSXWNHBKZJJT-HFWVGAGESA-N", "SMILES:CCCCCCCOc1ccc(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4ccc(OCCCCCCC)cc4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDFJODBUPWENQ-QLOFLHLESA-N", "SMILES:CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4ccc(OCCCCCCCCCCCCCCCCCC)cc4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPKYQDSCKDENBP-POBDBQMVSA-N", "SMILES:CCCCOc1ccc(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4ccc(OCCCC)cc4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1"]}
{"name": "C-type lectin domain family 4 member E", "xref": ["CHEMBL.TARGET:CHEMBL4105898"], "id": "UniProtKB:Q9ULY5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZRJMLNQOAOSMT-OKNYKLPDSA-N", "SMILES:COc1ccc(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4ccc(OC)cc4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTMGSZQBVKGCHR-HTXMBPOHSA-N", "SMILES:C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)C[C@@H](O)[C@]34CO)[C@@]1(O)CC[C@@H]2c1cn(Cc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACNIYNHBRNZKRY-QCUZJPGCSA-N", "SMILES:COCO[C@H]1C[C@H]2OC(C)(C)OC[C@]23[C@@H]2[C@@H](CC[C@]3(O)C1)[C@@]1(OCOC)CC[C@H](CO)[C@@]1(C)C[C@H]2OCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDOKEOMMNSMDDB-YPRSVCICSA-N", "SMILES:COCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@H](O[C@H]2C[C@H]3OC(C)(C)OC[C@]34[C@@H]3[C@@H](CC[C@]4(O)C2)[C@@]2(O)CC[C@H](CO)[C@@]2(C)C[C@H]3OCOC)O[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEMNHSXPLHOLFP-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2-c2ccc(O)cc2)c1"]}
{"name": "C-X-C chemokine receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL4105830"], "id": "UniProtKB:P35343", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465843", "category": ["biolink:ChemicalEntity"], "name": "PIPLARTINE", "xref": ["InChIKey:VABYUUZNAVQNPG-BQYQJAHWSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4062698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAZAQCSIQYKFPW-VOTSOKGWSA-N", "SMILES:Cc1nc(C)c(/C=C/C(=O)N2CCC=C(Cl)C2=O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMRGIIZANFGIG-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1ccc(-n2nc3c4cc(Cl)ccc4[nH]cc-3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPYGULVOAIXELM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc3c4ccc(OC)cc4[nH]cc-3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJJWNTVLDPILI-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1ccc(-n2nc3c4ccc(Br)cc4[nH]cc-3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBGABSSWMJSJLZ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-n2nc3c4ccc(Br)cc4[nH]cc-3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVMDVALPRQYTP-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1ccccc1-n1nc2c3ccc(Br)cc3[nH]cc-2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGJSGISRRSZYOK-UHFFFAOYSA-N", "SMILES:COc1ccc2c3nn(-c4ccc(OC)nc4)c(=O)c-3c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVGBVGLZQPRIH-BZCILRKHSA-L", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(=O)([O-])O)O[C@H](CO)[C@@H](OP(=O)([O-])O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFNLOFCIWKDQQZ-JWILAOJCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc2ccccc2c1)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPRZDBKJBZRJV-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)ccc2N(CC2CC2)C(c2ccccc2F)N1C1CCN(CCCn2ccnc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWGBAXEVIRMAC-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2N)[nH]c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQMLKBVJSOVCI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1[nH]c(C)c2c1CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZWUDAEAJEIIA-AFYLVLOISA-N", "SMILES:O=C(O)C(=O)O.O=[N+]([O-])c1ccc(CCN2CC[C@@]3(c4cccc(O)c4)CCC[C@@H]2[C@H]3O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXYBIBXEAJZXHD-CSRPUQRPSA-N", "SMILES:O=C(O)C(=O)O.Oc1cccc([C@]23CCC[C@H]([C@@H]2O)N(C[C@@H]2C[C@H]2c2ccccc2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXYBIBXEAJZXHD-VDDLJFHISA-N", "SMILES:O=C(O)C(=O)O.Oc1cccc([C@]23CCC[C@H]([C@@H]2O)N(C[C@H]2C[C@H]2c2ccccc2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOCVUHRNSOKTFH-QXVHIOGHSA-N", "SMILES:O=C(O)C(=O)O.Oc1cccc([C@@]23CCC[C@@H]([C@@H]2O)N(CC/C=C/c2ccccc2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZWUDAEAJEIIA-SGIIKHNDSA-N", "SMILES:O=C(O)C(=O)O.O=[N+]([O-])c1ccc(CCN2CC[C@]3(c4cccc(O)c4)CCC[C@H]2[C@@H]3O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVOYWPOAKURLSC-SXBSBRFQSA-N", "SMILES:CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPUDSYPVZVGNW-FVFQGOTJSA-N", "SMILES:CO[C@@H]1C2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@@H]1C(=O)[C@]3(C/C=C(/C)C(=O)O)OC2(C)C)OC(C)(C)C=C4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4069859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWONYMWYNKYLCN-HPONLTHJSA-N", "SMILES:CO[C@@H]1C2C(=O)c3c(O)c(C/C=C(\\C)CCC=C(C)C)c(O)c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@@H]1C(=O)[C@]3(C/C=C(/C)C(=O)O)OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRIWCDIPAFGNEY-ZWVRDZOUSA-N", "SMILES:CO[C@@H]1C2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@@H]1C(=O)[C@]3(C/C=C(/C)C(=O)O)OC2(C)C)O[C@](C)(CCC=C(C)C)C=C4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4068458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMEJXXPALFSRHQ-JVALTROYSA-N", "SMILES:CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(/C=C(/C)CO)C5=O)C3=O)C=CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFFBVIKOAPENTD-VXNUOTEQSA-N", "SMILES:COC1=C2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@@H]1C(=O)[C@]3(CC=C(C)C)OC2(C)C)O[C@](C)(CCC=C(C)C)C=C4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOFYHZTUBIECV-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(S(=O)(=O)Nc2cccc(-c3csc(NC(C)=O)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBAHIIPVJVMACF-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2cncnc2)cc(C(=O)Nc2ccc(F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL381804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKEQKHXDKAMDDD-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3139589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQLNNIUMLHJNBG-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc([N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEUOQDXUTZNMKV-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEFTRUWDBYVEW-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHUBXYGWGVODBD-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHOVKFBRXRMNX-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRUNMUKFVBNTSI-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRTKFQZVICPSAQ-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQJNEIRRIUOGN-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCC(O)CC2)c(=O)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNSKQWRSBCCAG-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOQHXKBHKPKGX-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQBFNDIPKXILP-UHFFFAOYSA-N", "SMILES:CNCCCn1c2c(c3ccc(Cl)cc3c1=O)C(=O)c1cc(OC)cnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJEVDGDCTHQUOS-UHFFFAOYSA-N", "SMILES:CCNCCCn1c2c(c3ccc(Cl)cc3c1=O)C(=O)c1cc(OC)cnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRXVSWVQXIEINY-UHFFFAOYSA-N", "SMILES:CCNCCCn1c2c(c3ccc(F)cc3c1=O)C(=O)c1cc(OC)cnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLUNZONQAXVOSD-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSNXSAANPIBWQQ-UHFFFAOYSA-N", "SMILES:COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJDCIVDNJQNMRY-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(-c2cccnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKGORBEITZGMV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCCC2)c1"]}
{"name": "Eukaryotic translation initiation factor 2-alpha kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL4105946"], "id": "UniProtKB:Q9Z1Z1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Cyclic AMP-dependent transcription factor ATF-6 alpha", "xref": ["CHEMBL.TARGET:CHEMBL4105716"], "id": "UniProtKB:G3V909", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOVEDJTASPCIR-UHFFFAOYSA-N", "SMILES:Cn1c(CNc2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)nnc1-c1ccncc1"]}
{"name": "Beta-adrenergic receptor kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4105719"], "id": "UniProtKB:P26817", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJLUROCTNUSXPD-HMRCJKRNSA-N", "SMILES:O[C@]1(C2CC2)CC[C@H](Nc2ccc(-c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKNLDHOJUSJHU-MUAVYFROSA-N", "SMILES:Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNRWRMBVOIZNV-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTGZYHKBIOUAJ-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2nc(N)nc(-c3ccc(S(N)(=O)=O)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLHWAKALUIDKJ-NDAXQORBSA-N", "SMILES:CC(C)[C@@H](C)[C@H]1O[C@@H]1[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNXAKRKGITUJQ-XSLCRYLDSA-N", "SMILES:CC(C)[C@@H](C)[C@@H](O)C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4086897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWZNIUKPPRAQCW-FBFQPVLYSA-N", "SMILES:CC(C)[C@@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCZQDKIUGZGCAN-JDVKSECFSA-N", "SMILES:CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4077016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXOMNSUDKDUKFB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2c(-c3cc(Cl)ccn3)nc3ccc(Cl)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOLBPPCJUQNAAW-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNDLKCZWKGJMFM-UHFFFAOYSA-N", "SMILES:Cc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL887", "category": ["biolink:ChemicalEntity"], "name": "RASAGILINE", "xref": ["InChIKey:RUOKEQAAGRXIBM-GFCCVEGCSA-N", "SMILES:C#CCN[C@@H]1CCc2ccccc21"], "synonym": ["Rasagiline", "Rasagiline", "Rasagilina", "Rasagiline", "Rasagiline", "AGN-1135", "NSC-759639", "TV-1030", "Rasagiline"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4063636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFKGISBMQMNDQ-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccc(F)cc2)n1"]}
{"name": "Calpain-1 catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL3747"], "id": "UniProtKB:P97571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJUREDVHDQEOI-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUGBTWTSVLPEO-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOCLFGFXNUVPOM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccn(-c3ncccc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBFRMXCFWFLRI-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHVLTFYXPZXNN-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTXTLFGVZEJDY-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(-c2ccn(-c3ncccc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNLFHMPFYGTZGO-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccc(CN3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXDOKVLGKHPAC-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEGSGWMHUKCTRB-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2c(n1)-c1ccccc1OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJNQHUVTVCSPY-VHEBQXMUSA-N", "SMILES:CCN(CC)Cc1ccc(/C=C/c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGIYKXAFSVLBQ-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cnc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXMPEGOPQBOHU-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QREPOOCPEWXEBO-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1csc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVZXGPSAXRYQRQ-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1coc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSSDEDKONJJADS-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVDSJMRFHZDPY-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-n1ccc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFZBGLILWDTWBK-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-c1csc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPMHCVZDONUSHD-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1cccnc1-n1cnc(-c2ccccc2)c1)C(=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FINKTORZTYDCIN-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1)C(=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIBUGKARJIONT-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1)C(=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVMHCCIIRLTCQ-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1cccnc1-c1csc(-c2ccccc2)n1)C(=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQXUTRSPNKGFB-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEFPUCSICREODM-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(C2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERHJSFBSWWYBA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccn(-c2ncccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKMRISCONMUFP-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIPPEPOTNWGNU-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(C2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQRHBUMDNLJNV-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccn(-c3ncccc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OREGGUZAPXPJPL-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGFGPCMSFGKAS-UHFFFAOYSA-N", "SMILES:NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2c(n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVXAYIXYYOVALX-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2cc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cn2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHLRRHIOCDMQV-UHFFFAOYSA-N", "SMILES:Cc1cc(CCNCc2ccc3c(C)cc(N)nc3c2)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFICVEHDQUKCEA-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGAWVMMVIOVSW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISEPHMSPZZXFDT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(C(C)=O)cc2)nc(-c2ccc(C(C)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWAJYWDGZNNBR-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(NC(C)=O)nc(-c2ccccc2OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTTWFQUHUQLZGF-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc4ccccc4c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFYRXHYWURCCBT-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(C)c4ccccc34)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAJKANXMXJLTKT-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc4ccccc34)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFZHAYMNQEZKV-BKZQFFRISA-N", "SMILES:COc1cc(/C=C/C(=O)OC[C@@]23CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4073121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFZHAYMNQEZKV-YFMQWVBVSA-N", "SMILES:COc1cc(/C=C\\C(=O)OC[C@@]23CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4073614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRFDRKIGYRDOD-WHXIUFLDSA-N", "SMILES:COc1cc(/C=C/C(=O)OC[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4098015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRFDRKIGYRDOD-DWHGMHAJSA-N", "SMILES:COc1cc(/C=C\\C(=O)OC[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4092677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAKXXTJMZYGFMH-VZEYVWLXSA-N", "SMILES:C/C1=C/C2=C(C(=O)[C@H](C)C2)C(=O)[C@@H](C)C[C@@H]2[C@H](CC1)[C@@]2(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]}
{"name": "Clathrin heavy chain 1", "xref": ["CHEMBL.TARGET:CHEMBL3108634"], "id": "UniProtKB:Q00610", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDLWHGPJPVPDU-SFQUDFHCSA-N", "SMILES:O=C1N=C(NS(=O)(=O)c2cccc3ccccc23)S/C1=C/c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1863513", "category": ["biolink:ChemicalEntity"], "name": "INGENOL MEBUTATE", "xref": ["InChIKey:VDJHFHXMUKFKET-WDUFCVPESA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C"], "synonym": ["Ingenol mebutate", "Ingenol mebutate", "Ingenol mebutate", "Ingenol mebutate", "Ingenol mebutate", "Mebutate d'ingenol", "Mebutato de ingenol", "Ingenol mebutate", "Ingenol mebutate", "AGN 204332", "AGN204332", "PEP-005", "PEP005", "Picato", "Ingenol mebutate"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4104319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEQCCTORPOYDJI-GLLZKYJXSA-N", "SMILES:C/C=C(/C)C(=O)OC[C@]1(C)[C@H]2[C@@H]3C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]3(O)[C@H](C)C[C@]21OCC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4071723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQOWJJGOQJONCI-MZRDIQIISA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(C)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL170518", "category": ["biolink:ChemicalEntity"], "name": "PROSTRATIN", "xref": ["InChIKey:BOJKFRKNLSCGHY-HXGSDTCMSA-N", "SMILES:CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4073929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJXGWRXGKQPPN-DEOSSOPVSA-N", "SMILES:CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBWNXHKHJEZRG-UHFFFAOYSA-N", "SMILES:O=c1c(Br)cn(Cc2cn(-c3ccc(F)cc3)nn2)c(=O)n1Cc1cn(-c2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJKPTABONXFQMG-UHFFFAOYSA-N", "SMILES:O=c1c(Br)cn(Cc2cn(-c3ccc(Cl)cc3)nn2)c(=O)n1Cc1cn(-c2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDGPOWLJXICEO-CATZTCIUSA-N", "SMILES:COc1cc(/C=C2\\COC/C(=C\\c3ccccc3F)C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTQVTTNJIUSADS-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(O)c2ncccc12)N1CCc2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYTYUEZLMAGJFC-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLOEBGPQOJQLQ-UHFFFAOYSA-N", "SMILES:CNNc1ccc2c(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIFDHUZCSXGSJ-UHFFFAOYSA-N", "SMILES:NNc1ccc2c(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZIGNIYSZCBPCC-UHFFFAOYSA-N", "SMILES:CC(=O)NNc1ccc2c(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTIKOIUASQFSJD-UHFFFAOYSA-N", "SMILES:C=CCSSc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSWAWXDFCYAMR-UHFFFAOYSA-N", "SMILES:Clc1ccc(SSc2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXVAVGNSYYZTEW-OIBXWCBGSA-N", "SMILES:NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)Cc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVOXDJYPDCSQMI-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2cc(O)ccc2C2C1=CCn1c(=O)n(-c3ccccc3)c(=O)n12"]}
{"name": "High mobility group protein B1", "xref": ["CHEMBL.TARGET:CHEMBL2311237"], "id": "UniProtKB:P63158", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYRMDJLRCUMOCP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(=O)n3n(c2=O)C2C(=CC3)C(C)(C)Oc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHKHPMDGLMPQO-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-n2c(=O)n3n(c2=O)C2C(=CC3)C(C)(C)Oc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWYPHTZIIWQEU-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2cc(O)ccc2C2C1=CCn1c(=O)n(-c3ccc4c(c3)OCO4)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQDQPSTIFPFSA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-n2c(=O)n3n(c2=O)C2C(=CC3)C(C)(C)Oc3cc(O)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBEBFCLNXGMFOQ-SECBINFHSA-N", "SMILES:C=C1C(=O)OC[C@H]1NC(=O)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMQVHOLNVVYIOK-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3c(SCC(=O)Nc4cccc(C#N)c4)ncnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQIUHHEOUMNLD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPFCUXJEFSBMK-FQEVSTJZSA-N", "SMILES:C[C@H]1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCCN(C)CC4)cc(C(F)(F)F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AALIYJLGHAGHNS-UHFFFAOYSA-F", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OCc3ccc(COc4cc(OS(=O)(=O)[O-])cc5oc(-c6ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c6)c(OS(=O)(=O)[O-])c(=O)c45)cc3)c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHIKXKJXWQEZOU-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN(CC)CC)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADNRKZZMQVKTL-OILHXOJCSA-N", "SMILES:C=CC(C)(C)c1[nH]c2ccccc2c1[C@H]1[C@H](c2c(C(C)(C)C=C)[nH]c3ccccc23)[C@]2(NC(=O)[C@H](C)NC2=O)[C@@]12NC(=O)[C@H](C)NC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4097147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADNRKZZMQVKTL-OMULGFISSA-N", "SMILES:C=CC(C)(C)c1[nH]c2ccccc2c1[C@@H]1[C@@H](c2c(C(C)(C)C=C)[nH]c3ccccc23)[C@@]2(NC(=O)[C@@H](C)NC2=O)[C@]12NC(=O)[C@@H](C)NC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4089439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADNRKZZMQVKTL-KYQRYDPESA-N", "SMILES:C=CC(C)(C)c1[nH]c2ccccc2c1[C@@H]1[C@@H](c2c(C(C)(C)C=C)[nH]c3ccccc23)[C@@]2(NC(=O)[C@H](C)NC2=O)[C@]12NC(=O)[C@H](C)NC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4068554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTWNORFUQILKJL-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccc(-c2ccc(C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485462", "category": ["biolink:ChemicalEntity"], "name": "FARINOSONE A", "xref": ["InChIKey:WCQOVQCOVLYQSA-PDOAJKQXSA-N", "SMILES:CCC(C)/C=C(C)/C=C/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4099656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBZJQQUISHXMFL-YCHDRXDESA-N", "SMILES:CCC(C)CC(C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4103049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTZZHFSJJVQSSY-RLQNNLABSA-N", "SMILES:CCC(C)/C=C(C)/C=C/C=C/C(=O)c1c(OC)c(-c2ccc(O)cc2)c[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUYOCRHCIKMVOH-UCFWAISOSA-N", "SMILES:CC[C@@H](C)/C=C(C)/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4072432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKSASLEEBOMDC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCOC(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVONKBKXQANZTM-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOKPDNFZCCLACZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUKEAYUAYTIBV-LPHOPBHVSA-N", "SMILES:O=C(NCc1ccn[nH]1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLKLUQGBGSJOO-OWOJBTEDSA-N", "SMILES:O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(Cl)cc3)CC2)c2cc(F)ccc21"]}
{"name": "Vesicular acetylcholine transporter", "xref": ["CHEMBL.TARGET:CHEMBL2125"], "id": "UniProtKB:Q62666", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1770734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBUERZRFSORRZ-UHFFFAOYSA-N", "SMILES:NCc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHIGPAIFBVOPKV-DHZHZOJOSA-N", "SMILES:COc1cc(OC)c(Cl)c(N2Cc3cnc(Nc4ccccc4)nc3N(C3CCN(C(=O)/C=C/CN(C)C)CC3)C2=O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVFTXQYIYFQBW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CN2C(=O)N(c3c(Cl)c(OC)cc(OC)c3Cl)Cc3cnc(NCCCCN(CC)CC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBKOGASLFQQHS-NIURNJHWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C"]}
{"name": "HLA-DRB2 protein", "xref": ["CHEMBL.TARGET:CHEMBL4105869"], "id": "UniProtKB:Q30155", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMTCEFUSRHYJBF-DDJPMISGSA-N", "SMILES:CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQAQXCPMKCUQAZ-MSPPQFFBSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MACMAADVRVVHBD-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccccc1O)c1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4089317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEPSHCLPPWIKID-CIAFOILYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(O)c(O)c2CC=C(C)C)c(C/C=C(\\C)CCC=C(C)C)c(OC)c1"]}
{"name": "Opioid growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL4105797"], "id": "UniProtKB:Q9NZT2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQIQZBBCSLHFN-CIAFOILYSA-N", "SMILES:COc1cc(OC)c(C/C=C(\\C)CCC=C(C)C)c(C(=O)Nc2ccc(O)c(O)c2CC=C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYSWDXXGZLLULX-CIAFOILYSA-N", "SMILES:COc1cc(OC)c(C/C=C(\\C)CCC=C(C)C)c(C(=O)Nc2cc(O)c(O)c(CC=C(C)C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIISBQQYAGDKM-QJSROADHSA-N", "SMILES:C[C@@H]1C=C2C(=O)O[C@@H]3CC[C@H](C1)[C@]23O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4104208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYRKOAMTMHCCK-ZXFLCMHBSA-N", "SMILES:C=C1C(=O)O[C@@H]2CC[C@H](CBr)[C@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDSBLRZTAXSQEC-NQMVMOMDSA-N", "SMILES:C=C1C(=O)O[C@@H]2CC[C@H](CBr)[C@]12OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEHXRAONGTPBR-FXPVBKGRSA-N", "SMILES:C=C1C(=O)O[C@@H]2CC[C@H](CBr)[C@]12OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOBAQJFXRBFPOQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CC[N+](C)(C)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCKIIDKDXZHTEW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccc(F)cc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHJDSKVMBGRBES-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4c(F)cccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTILPOMEZWINDU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccc(F)cc34)n2)c(OC)cc1N(C)CC[N+](C)(C)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQYPSZZZNBUAGF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4c(F)cccc34)n2)c(OC)cc1N(C)CC[N+](C)(C)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGYPSIUZIQZSFE-LKXRKSRJSA-N", "SMILES:CCCCCCC[C@H]1O[C@@H]1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIODDABJQKPLQA-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2N=C(N2CCN(CCN3CCCC3)CC2)N1c1ccc(-c2ccccc2)cc1)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXAIKCGBLJLXQU-UHFFFAOYSA-N", "SMILES:CN(C)CCCCCN(C)C1=Nc2c(F)cc(F)cc2C(CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494655", "category": ["biolink:ChemicalEntity"], "name": "ELISABATIN A", "xref": ["InChIKey:JVQJPMIBFYBOEO-GXFFZTMASA-N", "SMILES:CC(C)=C[C@@H]1C[C@H](C)c2c(O)cc(C)c3c2C1=C(C)C(=O)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4099907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVAODKJBZLOXDH-XHDPSFHLSA-N", "SMILES:C=C1CC[C@@](C)(c2cc(Br)c(C)cc2O)[C@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4089134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSVSVXKKLCORPM-XRQHJSPUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOXHXVVVMMYPW-AREMUKBSSA-N", "SMILES:COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1"]}
{"name": "C-8 sterol isomerase ERG2", "xref": ["CHEMBL.TARGET:CHEMBL3224"], "id": "UniProtKB:P32352", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXGMWMEDVHRTD-SANMLTNESA-N", "SMILES:c1ccc(C[C@H]2CN(Cc3ccccc3)CCCN2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXGMWMEDVHRTD-AREMUKBSSA-N", "SMILES:c1ccc(C[C@@H]2CN(Cc3ccccc3)CCCN2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFKAULIVVXNSX-MHZLTWQESA-N", "SMILES:c1ccc(CCN2CCCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTOFFSNTXCFYOR-HSZRJFAPSA-N", "SMILES:CCCCN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTOFFSNTXCFYOR-QHCPKHFHSA-N", "SMILES:CCCCN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHVFLVIHPOWZAL-IBGZPJMESA-N", "SMILES:c1ccc(C[C@H]2CNCCCN2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHVFLVIHPOWZAL-LJQANCHMSA-N", "SMILES:c1ccc(C[C@@H]2CNCCCN2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOXHXVVVMMYPW-SANMLTNESA-N", "SMILES:COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFKAULIVVXNSX-HHHXNRCGSA-N", "SMILES:c1ccc(CCN2CCCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDKVALKSDLTND-NDEPHWFRSA-N", "SMILES:c1ccc(CCCN2CCCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDKVALKSDLTND-MUUNZHRXSA-N", "SMILES:c1ccc(CCCN2CCCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRAMBHMSKOXJSM-NRFANRHFSA-N", "SMILES:C[C@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRAMBHMSKOXJSM-OAQYLSRUSA-N", "SMILES:C[C@@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTQUDZTMHWKRE-INIZCTEOSA-N", "SMILES:CCCCN1CCCN(Cc2ccccc2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTQUDZTMHWKRE-MRXNPFEDSA-N", "SMILES:CCCCN1CCCN(Cc2ccccc2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLMQABUUUUQCA-HSZRJFAPSA-N", "SMILES:COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESNCIYOISMLBP-GDLZYMKVSA-N", "SMILES:c1ccc(CCCCN2CCCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHVHGGUMYYBCU-HXUWFJFHSA-N", "SMILES:CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGMLFCMKGBGLQJ-JOCHJYFZSA-N", "SMILES:CC(C)[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESNCIYOISMLBP-LJAQVGFWSA-N", "SMILES:c1ccc(CCCCN2CCCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHVHGGUMYYBCU-FQEVSTJZSA-N", "SMILES:CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMJCIACYOFRTCJ-XMMPIXPASA-N", "SMILES:CC(C)=CCN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLWYXIANPITBJA-SFHVURJKSA-N", "SMILES:C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLWYXIANPITBJA-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKSITCBIIIHVSF-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc(-c2ccccc2)n(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKIBNNYWZAXTRH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1"]}
{"name": "Stearoyl-CoA desaturase", "xref": ["CHEMBL.TARGET:CHEMBL5555"], "id": "UniProtKB:O00767", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOFPVXMPTVOTJ-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVAXPNLWVSQKIP-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCC(CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNXQXKGYYKFAPX-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)c2ccc(CN3CCCCC3)cc2)sc2c1CCC(CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUBSGXCDUQSQLS-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC(CO)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBEPILPAVQVXJT-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)sc2c1CCC(CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVJAJQGONTZSAZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(CN3CCOCC3)cc2)nc2sc3c(c12)CCC(CO)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGFBSQNUPKFGT-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMWWISUHIQOXJZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCc2c(sc(NC(=O)c3ccc(CN4CCOCC4)cc3)c2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVEDGTUAHGHAGO-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCCC2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWNUVFNELQHSK-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)sc2c1CCC(CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGVVPKWWVTVLM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(CN3CCCCC3)cc2)nc2sc3c(c12)CCC(CO)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVCBFAUVUQDSSU-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCC(CO)C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFBMFGKADIDNRU-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)nc2sc3c(c12)CCC(CO)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSJNJAJDBNFVCA-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4062501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSOKWLKBYFUNEO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(N=C(N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQHXLVRLDGOOJK-NOOOWODRSA-N", "SMILES:OC[C@H]1N/C(=N\\Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXOJFSBMLCHFJT-MROQNXINSA-N", "SMILES:Cc1ccccc1C/N=C1\\N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCCNZNZQZKBAOG-MROQNXINSA-N", "SMILES:Cc1cccc(C/N=C2\\N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRRHVRVRHDODY-MROQNXINSA-N", "SMILES:Cc1ccc(C/N=C2\\N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQDCEXEJARJQR-CBBWQLFWSA-N", "SMILES:CC(C)(C)c1ccc(C/N=C2\\N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVBVWYAKQVNNW-NOOOWODRSA-N", "SMILES:OC[C@H]1N/C(=N\\Cc2ccccc2F)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEMXTXDXUYPRHU-NOOOWODRSA-N", "SMILES:OC[C@H]1N/C(=N\\Cc2cccc(F)c2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUYADKKPDCVOMC-NOOOWODRSA-N", "SMILES:OC[C@H]1N/C(=N\\Cc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPPUIKZPUOBHJ-NOOOWODRSA-N", "SMILES:OC[C@H]1N/C(=N\\Cc2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJSHVIRKFEOPO-MROQNXINSA-N", "SMILES:COc1ccc(C/N=C2\\N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBOHQVBIMYGTHT-RYPBNFRJSA-N", "SMILES:OC[C@H]1N/C(=N\\CC2CC2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCVHZANWYMXGTD-NOOOWODRSA-N", "SMILES:OC[C@H]1N/C(=N\\CC2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGWVGRBQOBCHY-MROQNXINSA-N", "SMILES:OC[C@H]1N/C(=N\\CC2CCCCCC2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWBMOANWHCHAN-VGRMVHKJSA-N", "SMILES:CCC/N=C1\\N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOEPKXNFJYTFLJ-NOOOWODRSA-N", "SMILES:CCCCCCC/N=C1\\N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJTVWWSISLBHY-FXUDXRNXSA-N", "SMILES:CCCCCCCCCCCNC1=N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHKDECHHVWZZOA-ZMBMDPTESA-N", "SMILES:CCCCC(CC)CNC1=N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWPCRZCROGJCY-ZOBORPQBSA-N", "SMILES:OC[C@H]1N/C(=N\\CCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPASZKJKXKMWJL-VGRMVHKJSA-N", "SMILES:OC[C@H]1N/C(=N\\C2CC2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIPYOJRMSNSLPB-VPOLOUISSA-N", "SMILES:OC[C@H]1N/C(=N\\C2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULPLCQWQFNVQX-BZPMIXESSA-N", "SMILES:Cc1ccc(CNC2=N[C@H](CO)[C@H](O)[C@H](O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXSKLPRSARGBAE-ZOBORPQBSA-N", "SMILES:CO[C@H]1C(NCc2ccc(C)cc2)=N[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIETWNFOKCLVCF-SYQHCUMBSA-N", "SMILES:CO[C@@H]1[C@H](O)[C@@H](O)C(NCc2ccc(C)cc2)=N[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIFBXZRNIGNERW-MGCNEYSASA-N", "SMILES:N=C1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJXPYDGVXIEHE-MGCNEYSASA-N", "SMILES:O=C1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4087989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBFTXPJHGZCRQ-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGJNSXGHXVHCZ-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCJASRNEMCYHFT-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(NN=C2C(Cl)=C(Cl)C(Cl)=C2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJUUVLVQVRXKW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLNZUIPXJXWALY-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(N=C1C(Cl)=C(Cl)C(Cl)=C1Cl)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJZILMBCSNTNS-UHFFFAOYSA-N", "SMILES:ClC1=C(Cl)C(Cl)=C(Cl)C1=NNc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPQVPBSFTKGECX-UHFFFAOYSA-N", "SMILES:Fc1cccc(NN=C2C(Cl)=C(Cl)C(Cl)=C2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEQORQRZLZBJS-UHFFFAOYSA-N", "SMILES:ClC1=C(Cl)C(Cl)=C(Cl)C1=NNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPAYNHKSYSEQSJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCAIRMUGUEHLO-UHFFFAOYSA-N", "SMILES:ClC1=C(Cl)C(Cl)=C(Cl)C1=NNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHRFWGHOYASJJG-UHFFFAOYSA-N", "SMILES:CN(C)N=C1C(Cl)=C(Cl)C(Cl)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1898589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSIMDXRURSONJ-UHFFFAOYSA-N", "SMILES:NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QALDGGJEBWICTR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N(N=C1C(Cl)=C(Cl)C(Cl)=C1Cl)C(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEJYKBVAEQYEKK-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNZFEYMMCDLDIL-UHFFFAOYSA-N", "SMILES:Fc1ccc(NN=C2C(Cl)=C(Cl)C(Cl)=C2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFIUNYMSHETCF-UHFFFAOYSA-N", "SMILES:CCCc1ccc(NC(=O)c2ccccc2NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGKYTXTXZYNJP-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.Cl.NCCCNCCCCNCCCNCC(O)COc1cc(O)c2c(=O)c3ccccc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUELZTVOMUBGEX-UHFFFAOYSA-N", "SMILES:NCCCCNCCCNCC(O)COc1cc(O)c2c(=O)c3ccccc3oc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URQHKSJLPXFGNI-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCNCC(O)COc1cc(O)c2c(=O)c3ccccc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAOLOOUJAPMGFO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CNc2cc(Nc3ccccc3)ncc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGUNPDSCFBOSF-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(CNc2cc(Nc3ccccc3)ncc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWMMWXUYOOJAEO-BBWFWOEESA-N", "SMILES:CC[C@H]1ON(C(=O)OC(C)C)[C@H]2CN(CCC(C)C)C(=O)[C@H](CCSC)N2C1=O"]}
{"name": "Paired amphipathic helix protein Sin3b", "xref": ["CHEMBL.TARGET:CHEMBL4105761"], "id": "UniProtKB:Q62141", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIQRNXXIFCTQW-LEWJYISDSA-N", "SMILES:CCCC[C@H]1C(=O)N(CCC(C)C)C[C@@H]2N(C(=O)OC(C)C)CC3(CCCCC3)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228955", "category": ["biolink:ChemicalEntity"], "name": "T-CADINOL", "xref": ["InChIKey:LHYHMMRYTDARSZ-XQLPTFJDSA-N", "SMILES:CC1=C[C@@H]2[C@@H](CC1)[C@@](C)(O)CC[C@H]2C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4105170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNCRQUUJRSIQX-GFOHFYMKSA-N", "SMILES:C=C1CC/C=C(\\COC(C)=O)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4067572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQPXBLKJDRUNMR-UQSMOYBCSA-N", "SMILES:C=C(C)C1=CC[C@@]2(C)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCC)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4082646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIAIBZRYJIAVMC-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC(C)C)CC2)c2ncccc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJGTTXLGWEUOL-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CCC)CC2)c2ncccc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNXCRYVZCNLLHO-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCCS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQPWFXIUUTMGX-GJICFQLNSA-N", "SMILES:COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVQAEXPSYGMKTP-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCS(=O)(=O)NC(C)(C)C)CC2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRBFZDQTVSPPA-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)C)CC2)c2ncccc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSINSDXPTLWBKS-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZEFGPJSAPUASC-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIJDRPKTQXQTQO-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCNS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMXUGQJXXGUEJK-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCCCNS(C)(=O)=O)CC2)c2ncccc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVJJQWPIRYVED-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTEZINORAFBINC-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC2CCN(CCCS(=O)(=O)NC(C)(C)C)CC2)c2ncccc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJIQMOJGGTCOH-DXFKGKJZSA-K", "SMILES:Nc1nc(OCc2ccccc2[N+](=O)[O-])c2ncn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]3O)c2n1.[Na+].[Na+].[Na+]"]}
{"name": "T7 RNA polymerase", "xref": ["CHEMBL.TARGET:CHEMBL1075072"], "id": "UniProtKB:P00573", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10760"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFHBWTMNZIQWRS-GXYUULLCSA-K", "SMILES:O=c1nc(OCc2ccccc2[N+](=O)[O-])ccn1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKDMGZRTNGFCI-RGVLZGJSSA-N", "SMILES:O=C(Nc1nccc(N/N=C/c2ccc(F)cc2)n1)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCLXOGUDONDIX-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2ccnc(NC3CCCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBORYKLEEOSIEU-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)Nc2ccnc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUZHSPGCIXUKX-UHFFFAOYSA-N", "SMILES:C#CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMVXLCOFFLHXJS-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKRRUYFPCAHGD-VGSWGCGISA-N", "SMILES:Cc1ccccc1NC(=O)C[C@@H](C)C(=O)N[C@@H]1C(=O)N2CCCN2Cc2ccccc21"]}
{"name": "Signal peptide peptidase-like 2A", "xref": ["CHEMBL.TARGET:CHEMBL4105948"], "id": "UniProtKB:Q9JJF9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFLWZFQWSBQYPS-FPHNQDJVSA-N", "SMILES:CCCC(NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)C)P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZXZUNKHWMIJBH-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNIBESKDQBFDGM-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXGSLCFPQNJHA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYPHXGDCKLHLRF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Nc3ccc(C#N)cc3)c3cccnc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVUZRYVMNWFXTK-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWOLGYKRDOAGKG-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTYUYAROCTTLR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Nc3cccc([N+](=O)[O-])c3)c3cccnc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510103", "category": ["biolink:ChemicalEntity"], "name": "PHEOPHORBIDE A", "xref": ["InChIKey:NSFSLUUZQIAOOX-QEWKCGBTSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4083713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKQXWXDNMCCCFP-UHFFFAOYSA-N", "SMILES:CN1C(=O)N2Cc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C(C2)C1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQUQELEODAVON-UHFFFAOYSA-N", "SMILES:CN1CC2CN(Cc3c2c2ccccc2n3Cc2ccc(C(=O)NO)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVRJDAQWYOVJTR-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(n(Cc4ccc(C(=O)NO)cc4)c2c1)CN1CC3C(=O)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDARVHRSUDNPTF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CN2CC1C(=O)N(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCAIUGLOTHAUQX-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(C(=O)NO)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177913", "category": ["biolink:ChemicalEntity"], "name": "AZD-3839", "xref": ["InChIKey:MRXBCEQZNKUUIP-DEOSSOPVSA-N", "SMILES:NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21"], "synonym": ["Azd 3839", "Azd-3839", "Azd3839", "AZD3839"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZBKHMXPFCMOB-NIVWZPTPSA-N", "SMILES:[2H]C1([2H])OC(N)=N[C@]12c1cc(-c3cncnc3)ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946186", "category": ["biolink:ChemicalEntity"], "name": "DEPTROPINE", "xref": ["InChIKey:ZWPODSUQWXAZNC-PMOLBWCYSA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@@H](OC1c3ccccc3CCc3ccccc31)C2"], "synonym": ["Deptropine", "Deptropine", "Deptropine", "Deptropina", "Dibenzheptropine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTSJSRDFXZFHQ-UHFFFAOYSA-N", "SMILES:Sc1cccc2cccnc12"]}
{"name": "Lys-63-specific deubiquitinase BRCC36", "xref": ["CHEMBL.TARGET:CHEMBL4105965"], "id": "UniProtKB:P46736", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUBZAVMHIWVLQK-DJCBOUBBSA-N", "SMILES:C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNIKFACGLSFEV-SJXULMIUSA-N", "SMILES:C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJACUNIUOCSEBS-DPLVLXKWSA-N", "SMILES:C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJLDUYBLKOYDX-ZQOWUTGHSA-N", "SMILES:C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLCQCQLHHRREX-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)c(O)c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRLHYUXLWUWBTK-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGQSLKUNKHIBI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVCKMZIQUFKZFD-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXHUWSCQWCPGQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccnc3NCc3ccncc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411066", "category": ["biolink:ChemicalEntity"], "name": "KINETIN RIBOSIDE", "xref": ["InChIKey:CAGLGYNQQSIUGX-SDBHATRESA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein kinase PINK1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3337330"], "id": "UniProtKB:Q9BXM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PORKNZDCGYZATJ-HLZOOBDLSA-N", "SMILES:CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZPWCKGTLUCIIB-MFGRAOBJSA-N", "SMILES:COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYKJOENJVAXPGP-UDXSCBLPSA-N", "SMILES:C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCQBANTIRNFJI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1701606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWXOOLPVZQPZHK-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCC(c2ccco2)N2CCCC2)oc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXXEWXJVUQNIS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(CNC(=O)c2oc3ccccc3c2C)N2CCCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHRIRFLWEYATER-UHFFFAOYSA-N", "SMILES:CC(c1cccc(O)c1)N(C)Cc1nccn1CC(F)(F)F"]}
{"name": "Adrenoceptor beta 3", "synonym": ["Beta-3 adrenergic receptor"], "xref": ["CHEMBL.TARGET:CHEMBL4105847"], "id": "UniProtKB:F6XZF4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9483"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKAVTNXNVPCCN-UHFFFAOYSA-N", "SMILES:O=C(c1cnn2cc(Br)ccc12)N1CCN(C(=O)c2ccc(Br)cc2)C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXINRYVYBHMIC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C(=O)N3CCN(C(=O)c4ccc(Br)cc4)C(c4ccc(Cl)cc4)C3)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIYQGQYVZVLZPF-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ncc(C(=O)N3CCN(C(=O)c4ccc(Br)cc4)C(c4ccc(Cl)cc4)C3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLNNCQBTIZCOI-UHFFFAOYSA-N", "SMILES:N#Cc1ccnc(-c2ncc(C(=O)N3CCN(C(=O)c4ccc(Br)cc4)C(c4ccc(Cl)cc4)C3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDGKKHWJYBQRIE-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)C(c3ccc(Cl)cc3)C2)cnn1-c1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKAVTNXNVPCCN-HSZRJFAPSA-N", "SMILES:O=C(c1cnn2cc(Br)ccc12)N1CCN(C(=O)c2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLXOAGUUYVCIFE-UHFFFAOYSA-N", "SMILES:CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRCCUVSDZQJQEX-UHFFFAOYSA-N", "SMILES:CNc1cc(=O)n(C)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGZEDCRCSFXDI-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1Nc2ccccc2N(C(=O)CN2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPKDKDBZLBUIC-MUUNZHRXSA-N", "SMILES:CCCC[S@@+]([O-])c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQOQMJGGNKMLR-FERBBOLQSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVHXWAZCJVDGOD-JIDHJSLPSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHWUMMOLAOQGT-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(C3CCN(CC(=O)N4CC(O)C4)CC3)nn2c1N(C)c1ccc(C#N)c(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQTSPRQQGRVPDY-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(C3CCN(CC(=O)N4CC(O)C4)CC3)nn2c1N(C)c1nc(-c2ccc(F)cc2C#N)ns1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POBFYAMABWFWCO-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CC(O)C4)CC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFLNXTSMXZGUQO-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTIUGOTQMGTLQ-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(C3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMRDQYWRDQDBQ-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTXXAKVNIABFI-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(C3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL294443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRWFWOAXCFBRF-UHFFFAOYSA-N", "SMILES:C1CCC(C23CC4CC(CC(C4)C2)C3)NC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGZLVBPZPBUEU-UHFFFAOYSA-N", "SMILES:C1CC(C23CC4CC(CC(C4)C2)C3)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMBJSZYTIJFURY-BPXGVECKSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13589", "category": ["biolink:ChemicalEntity"], "name": "AMANOZINE", "xref": ["InChIKey:YMFGJWGABDOFID-UHFFFAOYSA-N", "SMILES:Nc1ncnc(Nc2ccccc2)n1"], "synonym": ["Amanozine", "Amanozina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRZYDXKJLEFCP-CTHHTMFSSA-N", "SMILES:Cl.NCc1ccnc(Oc2cccc(C(=O)N3C[C@@H](O)[C@H](F)C3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWNGVZPSPZEVFZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNOVUYKZKSFGI-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NARYQSBNVNMWTO-UHFFFAOYSA-N", "SMILES:O=C(OCCN1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUMESFGNHWQSQ-UHFFFAOYSA-N", "SMILES:O=C(OCCCCCCO)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJVRARWEIGXDLS-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)OCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEJMFPQUMDEAQP-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)NCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDIBRLHJBOEBA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3nccc(-c4[nH]c(CCCO)nc4-c4ccc(F)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPPWKFRGIUQDU-IBGZPJMESA-N", "SMILES:O=C(NCC[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIQJJEOAZURXOK-NSHDSACASA-N", "SMILES:CC[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABHHUMHJIHHIX-KRWDZBQOSA-N", "SMILES:O=C(NCC[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHSPVJFJVRIKGA-DVUMAKGASA-N", "SMILES:Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)no1"]}
{"name": "Mitogen-activated protein kinase kinase kinase 14", "xref": ["CHEMBL.TARGET:CHEMBL5888"], "id": "UniProtKB:Q99558", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWRACUPENKEAF-ZOCRTVNTSA-N", "SMILES:CCCCC1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(NC(=N)N)cc3)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMVCSXFOQPYKKC-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O"]}
{"name": "Peregrin", "xref": ["CHEMBL.TARGET:CHEMBL3132741"], "id": "UniProtKB:P55201", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETVMJJYHCWIJV-JBXUNAHCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4097328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJNDRQBUAUEIG-JBXUNAHCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4103729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSUHETWKPTXFJ-INIZCTEOSA-N", "SMILES:O=C(O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJISIZOIKSQGRQ-SFHVURJKSA-N", "SMILES:Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUKFPDKSBWBCQ-HOCLYGCPSA-N", "SMILES:Cc1ccccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUNNSLPQXPQEP-FYYLOGMGSA-N", "SMILES:COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUNNSLPQXPQEP-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(-c2ccc(Cc3ccc(N4CC(C(F)(F)F)CC4CC(=O)O)cc3)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLWRVVHPJFLNPW-LSNLESRRSA-N", "SMILES:N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPILIRKQJUBSIN-ROUUACIJSA-N", "SMILES:O=C(NC[C@@H]1C[C@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIAIVHWYHJNIE-ROUUACIJSA-N", "SMILES:O=C(NC[C@@H]1C[C@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVAEHJQNKKTNL-SFTDATJTSA-N", "SMILES:N#Cc1cccc(N2CCN(C[C@@H]3C[C@H]3CNC(=O)c3ccnc4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVDRLWOIWFRFU-SFTDATJTSA-N", "SMILES:N#Cc1ccc2c(c1)CCN(C[C@@H]1C[C@H]1CNC(=O)c1ccnc3ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBUWBWVXKLACCD-FPOVZHCZSA-N", "SMILES:N#Cc1ccc2c(c1)CN(C[C@@H]1C[C@H]1CNC(=O)c1ccnc3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCBXYIZYCUOYFO-FPOVZHCZSA-N", "SMILES:N#Cc1ccc2c(c1)CN(C[C@@H]1C[C@H]1CNC(=O)c1cc3ccccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2219578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLGOAQPUQITLD-OGAOHHHESA-N", "SMILES:N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)c3cc4ccccc4[nH]3)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOEOMZHUFXSZAA-KNQAVFIVSA-N", "SMILES:N#Cc1ccc2c(c1)CN(C[C@@H]1C[C@H]1CCNC(=O)c1cc3ccccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVLZQDTWSWXSHI-CTNGQTDRSA-N", "SMILES:N#Cc1ccc2c(c1)CN(CC[C@@H]1C[C@H]1CNC(=O)c1cc3ccccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJLAUKKXYIBLT-MZHUYBHXSA-N", "SMILES:CC1=C\\C=C\\C=C\\CC(C)NC(=O)/C=C/C=C/C=C/C(C)C(O)C(O)C(O)CC(O)/C=C\\C=C\\1"], "chembl_natural_product": true}
{"name": "Transcription factor HES-1", "xref": ["CHEMBL.TARGET:CHEMBL4105998"], "id": "UniProtKB:Q04666", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOXTTLIGHDQHU-XYOKQWHBSA-N", "SMILES:CC(=O)c1c(O)cc(O)c(C/C=C(\\C)CCC=C(C)C)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4104968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRLTWXQCZXMCZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2c3ccccc3[n+](C)c3c2[nH]c2ccccc23)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNOSNWRZVCGABL-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2c3ccccc3[n+](C)c3c2oc2ccccc23)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDUCSUAYGOQMD-UHFFFAOYSA-N", "SMILES:CCN(CCCCNC(=O)COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWJRAYZHGNXAV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NC1CCN(C(=O)C2Sc3ccccc3N(CC)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFOSZNQQBPCOF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N1CCN(C(=O)C2Sc3ccccc3N(CC)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYMCBSCMOLHIE-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc2c(c1)C(NC(=O)Nc1cccc(C#N)c1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDHUJFHPXRLJIE-RCXKYABLSA-N", "SMILES:O=C(CCNC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)N[C@@H](Cc1c[nH]cn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRGJNVCHZNVDAT-RCXKYABLSA-N", "SMILES:NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASYRWYXXPRLTPR-FNNGWQQSSA-N", "SMILES:O=C(NCCCCN1CCN(c2ccccc2OCC[18F])CC1)c1cc2ccccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJAXTFSPCLZPIW-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2O)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487601", "category": ["biolink:ChemicalEntity"], "name": "JACEOSIDINE", "xref": ["InChIKey:GLAAQZFBFGEBPS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL261063", "category": ["biolink:ChemicalEntity"], "name": "SARGAHYDROQUINOIC ACID", "xref": ["InChIKey:ASCPFLQSHKBTRD-FWXQPYBBSA-N", "SMILES:CC(C)=CCC/C(=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4064412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKUIJYZNRMQNBM-FWXQPYBBSA-N", "SMILES:CC(C)=CCC/C(=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4085945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKXAGRZCXAYBQX-WDZAAMDOSA-N", "SMILES:CC(C)=CCC/C(=C/CC/C(C)=C/CCC1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4096931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKZISGSHVPGMHL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=NNc2cc(-c3ccccc3)nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]}
{"name": "Liver carboxylesterase", "xref": ["CHEMBL.TARGET:CHEMBL3383"], "id": "UniProtKB:Q29550", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVMWIFRHNVPFM-UHFFFAOYSA-N", "SMILES:COC(=O)C1=NNc2ncnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBAAFEMFVBTQLN-UHFFFAOYSA-N", "SMILES:COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLINBQMOKZJBEC-UHFFFAOYSA-H", "SMILES:O.O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBZSNWCUJBMHF-UHFFFAOYSA-F", "SMILES:O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGEQLZUXXQNORN-MSOLQXFVSA-N", "SMILES:CC(C)[C@@H](O)[C@H](O)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSZRHEXUZSFYJJ-UXHICEINSA-N", "SMILES:COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)[C@@H](O)[C@H](O)C(C)C)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDFZQQHLBFEEDP-SFHVURJKSA-N", "SMILES:COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)[C@@H](O)CC(C)C)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXNKWATMJDKNA-SFHVURJKSA-N", "SMILES:COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)[C@@H](N)CC(C)C)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHBKHJPUBVIUDX-JVEUSOJLSA-N", "SMILES:CC(C)C[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJYITIKQYKROK-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(CNC(=O)c3cc(-c4ccsc4)n[nH]3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHGCFGABUFRQG-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(CNC(=O)c3cc(-c4ccccc4)n[nH]3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMIVFUOFVICHHC-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(CNC(=O)c3cc(-c4cccc5ccccc45)n[nH]3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNYQIAXAWCYQSO-UFFVCSGVSA-N", "SMILES:CNc1ccc2cc(C(=O)N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)c3cccc(/C=C/C(=O)OC)c3)ccc2c1"]}
{"name": "Bile acid receptor", "xref": ["CHEMBL.TARGET:CHEMBL4105917"], "id": "UniProtKB:Q62735", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOPIAKFBOTFTD-SSDVNMTOSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)c2ccc3cc(N(C)C)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSHCLXSSHYBMV-OCEJKJBHSA-N", "SMILES:CON([C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPAAEPEKDXJBV-UYUQEQDRSA-N", "SMILES:CO[C@@H]1[C@@H](OC)[C@H](O)[C@@H](C)O[C@H]1N(OC)[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZHIQTHPCJEWOT-HEXWDTNDSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@H](OC)[C@@H](C)O[C@H]1N(OC)[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYLDERAFQXIMPD-UYZFIVERSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@H](N(OC)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@H]1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZKNMIUSAAYDH-QJSBGWEOSA-N", "SMILES:CO[C@@H]1C[C@H](N(OC)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSHCLXSSHYBMV-LQBKMRELSA-N", "SMILES:CON([C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1)[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBSNQQGDWHLLX-FTYGUDPDSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@H](N(OC)[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZHIQTHPCJEWOT-RMGDYMLESA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@H](OC)[C@@H](C)O[C@H]1N(OC)[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTPWNRJJWBBAU-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABQFZVSLPCEQH-UHFFFAOYSA-N", "SMILES:CCCc1cc(OC(=O)c2c(O)cc(OC(=O)c3c(O)cc(O)cc3CCC)cc2CCC)cc(O)c1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4093128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVGKMQPCSSADW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCn1cc(COc3ccccc3C(=O)Nc3ccc(C(C)(C)C)cc3)nn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANFVEVZXYUNSY-UHFFFAOYSA-N", "SMILES:O=C(CCCC(CCC(=O)Nc1ccccc1)Cc1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWYRTSHTLOZLE-UHFFFAOYSA-N", "SMILES:CCN1C(=O)C(Oc2ccc(C)cc2)C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFYSBUITPSVXSO-UHFFFAOYSA-N", "SMILES:CCN(Cc1cn[nH]c1)C(=O)COc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBAIPKCWKWRAK-UHFFFAOYSA-N", "SMILES:CCc1cnc(N2CCC(COc3ccc(-c4ccc(C(=O)N(C)OC)c(F)c4)nc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVQVLCJMTXPKB-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2=NN(c3ccccc3)C(c3cccc(Cl)c3Cl)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYECGZRAVMDIIM-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2=NN(c3ccccc3)C(c3cccc(Cl)c3Cl)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAONNGGZQOGLDX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccccc3)C(c3cccc(Cl)c3Cl)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDMKSVMWCTYJV-UHFFFAOYSA-N", "SMILES:CCCc1ccc(C2CC=CC(=O)O2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIRPCIEUKGMTD-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(C2CC=CC(=O)O2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNKYOKOZYNYZQP-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc(-n3cc(C(=O)O)nn3)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUKQAPOADCBKB-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"name": "Trypanothione reductase", "xref": ["CHEMBL.TARGET:CHEMBL1944501"], "id": "UniProtKB:A4HSF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5671"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOCVLCAWPPEOV-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTSCXRBSZSXSL-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NECDJQNRWSICKG-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNUCVAQGDCTFO-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITZOKHKOFJOBFS-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIDVXYDWJIVBSC-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCTLFKXGBMSLLN-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXRFHPFIFVXJP-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXRJZUFMXJZPOC-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(NCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGYZXYLGVAQNY-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(nc3cc(Cl)ccc3c2NCCCCCCNc2c3c(nc4cc(Cl)ccc24)CC(C)(C)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGCRNKZFJJRHE-UHFFFAOYSA-N", "SMILES:CC1CCc2c(nc3ccc([N+](=O)[O-])cc3c2NCCCCCCNc2c3c(nc4ccc([N+](=O)[O-])cc24)CC(C)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMVDIXJUMVRQL-UHFFFAOYSA-N", "SMILES:CC1CCc2nc3ccccc3c(NCCCCCCCCCNc3c4c(nc5ccccc35)CCC(C)C4)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMHETDODOVEBY-UHFFFAOYSA-N", "SMILES:CCCCOC1CCc2nc3cc(Cl)ccc3c(NCCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCC(OCCCC)C4)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQYUUFBXSSRQOH-UHFFFAOYSA-N", "SMILES:CCOC1CCc2nc3cc(Cl)ccc3c(NCCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCC(OCC)C4)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBPQFYXTMHPGDC-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(c(NCCCCCCCCCNc4c5c(nc6ccc(OC)cc46)CCCC5)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNBABFLPDWBYIL-UHFFFAOYSA-N", "SMILES:C1=Cc2c(nc3ccccc3c2NCCCCCCNc2c3c(nc4ccccc24)CCC=C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIUQKBLYKUOUTR-UHFFFAOYSA-N", "SMILES:C1=Cc2c(nc3ccccc3c2NCCCCCCCNc2c3c(nc4ccccc24)CCC=C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWCVPQHWNYMHH-UHFFFAOYSA-N", "SMILES:C1=Cc2c(nc3ccccc3c2NCCCCCCCCNc2c3c(nc4ccccc24)CCC=C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPQZOQIPZFFQTE-UHFFFAOYSA-N", "SMILES:C1=Cc2c(nc3ccccc3c2NCCCCCCCCCNc2c3c(nc4ccccc24)CCC=C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKHKQLFOVYUDAP-UHFFFAOYSA-N", "SMILES:C1=Cc2c(nc3ccccc3c2NCCCCCCCCCCNc2c3c(nc4ccccc24)CCC=C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBOFKJNWJETFB-CMDGGOBGSA-N", "SMILES:COc1ccccc1/C=C/C(=O)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510949", "category": ["biolink:ChemicalEntity"], "name": "XANTHOCHYMOL", "xref": ["InChIKey:ZLMZRAYSIVLUPA-AKAMJVKKSA-N", "SMILES:C=C(C)CC[C@H](C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4062269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHKVDYTQYGRHC-WVNOIIFTSA-N", "SMILES:C=C(C)[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2O[C@@H]1C=C(C)C)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4069984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFHKAAQJAGUBZ-UHFFFAOYSA-N", "SMILES:C=CCc1cc(OC)c(OC(C)C(OCC)c2ccc(O)c(OC)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105496", "category": ["biolink:ChemicalEntity"], "name": "4-METHOXY CHALCONE", "xref": ["InChIKey:XUFXKBJMCRJATM-FMIVXFBMSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4079887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLTWKXWUAZJRT-UHFFFAOYSA-N", "SMILES:Cl.NCCCNC(=O)c1cn(CCCc2ccccc2)c2cc(Cl)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWWHLBECPCDSV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 2", "xref": ["CHEMBL.TARGET:CHEMBL1293227"], "id": "UniProtKB:O75604", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTLSWMUEXRWCZ-UHFFFAOYSA-N", "SMILES:O=C1C=Cc2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZZAGGOFGKUGE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cn(S(=O)(=O)c2ccccc2)c2c1C(=O)C(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXSOVYYZLJVJM-UHFFFAOYSA-N", "SMILES:O=C1C=Cc2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLZVMYCJRHHINM-UHFFFAOYSA-N", "SMILES:O=C1C=C(Sc2ccccc2)c2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKIYKHBLYVERRA-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(SC2=CC(=O)C(=O)c3c(-c4ccccc4)cn(S(=O)(=O)c4ccccc4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXLAKHWYGRKCGI-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQJCFBPIJRXED-SUFGVVHISA-N", "SMILES:COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C(O[C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O[N+](=O)[O-])C(C#N)=C(OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSJUCWLQDUOCTR-UHFFFAOYSA-M", "SMILES:CC[N+]1(C)CCc2cc(OC)c(OC)cc2C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIMJBWVPDMZLDI-UHFFFAOYSA-N", "SMILES:c1c2c(cc3c1OCO3)C1CCCN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRXHNMAIEJGUEL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C1CCCN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIMJBWVPDMZLDI-NSHDSACASA-N", "SMILES:c1c2c(cc3c1OCO3)[C@@H]1CCCN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANXPMGEBDLSJX-UHFFFAOYSA-M", "SMILES:COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIMJBWVPDMZLDI-LLVKDONJSA-N", "SMILES:c1c2c(cc3c1OCO3)[C@H]1CCCN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQHNBYGWOOLLIS-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(O)cc(O)c(C(=O)OC)c1CCc1nccn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMLGVPMSXTUNC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPGEBOIKULBCT-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBZOCZRWPUJYKP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4NC(=O)CCl)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGMAFXVXLJNKNC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Oc1ccccc1Nc1nc(Nc2cccc(N3CCOCC3)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBLJGQEXWERKN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(C(F)F)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBLOJJZDLUQDF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(CCOC)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCWXKQLWMVZSTB-XFKJAIHHSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(CCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)CC3)cc2)ncc1Cl"]}
{"name": "14-3-3 protein gamma", "xref": ["CHEMBL.TARGET:CHEMBL1293296"], "id": "UniProtKB:P61981", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "14-3-3 protein theta", "xref": ["CHEMBL.TARGET:CHEMBL3710408"], "id": "UniProtKB:P27348", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vasodilator-stimulated phosphoprotein", "xref": ["CHEMBL.TARGET:CHEMBL4295774"], "id": "UniProtKB:P50552", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tropomyosin alpha-4 chain", "xref": ["CHEMBL.TARGET:CHEMBL4295789"], "id": "UniProtKB:P67936", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Y-box-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4296006"], "id": "UniProtKB:P67809", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Y-box-binding protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4295720"], "id": "UniProtKB:P16989", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Far upstream element-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295922"], "id": "UniProtKB:Q96AE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-2-HS-glycoprotein", "xref": ["CHEMBL.TARGET:CHEMBL4295694"], "id": "UniProtKB:P02765", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Citrate synthase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295678"], "id": "UniProtKB:O75390", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "A-kinase anchor protein 12", "xref": ["CHEMBL.TARGET:CHEMBL4295800"], "id": "UniProtKB:Q02952", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein U", "xref": ["CHEMBL.TARGET:CHEMBL4296007"], "id": "UniProtKB:Q00839", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alkyldihydroxyacetonephosphate synthase, peroxisomal", "xref": ["CHEMBL.TARGET:CHEMBL4295643"], "id": "UniProtKB:O00116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HCLS1-associated protein X-1", "xref": ["CHEMBL.TARGET:CHEMBL4295644"], "id": "UniProtKB:O00165", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-related protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6090"], "id": "UniProtKB:P61160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "THO complex subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL4296014"], "id": "UniProtKB:Q86V81", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein H2", "xref": ["CHEMBL.TARGET:CHEMBL4296005"], "id": "UniProtKB:P55795", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable ATP-dependent RNA helicase DDX5", "xref": ["CHEMBL.TARGET:CHEMBL4295722"], "id": "UniProtKB:P17844", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable ATP-dependent RNA helicase DDX17", "xref": ["CHEMBL.TARGET:CHEMBL4105760"], "id": "UniProtKB:Q92841", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polyadenylate-binding protein 4", "xref": ["CHEMBL.TARGET:CHEMBL5333"], "id": "UniProtKB:Q13310", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translocon-associated protein subunit delta", "xref": ["CHEMBL.TARGET:CHEMBL4295777"], "id": "UniProtKB:P51571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytoplasmic dynein 1 intermediate chain 2", "xref": ["CHEMBL.TARGET:CHEMBL4295815"], "id": "UniProtKB:Q13409", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Membrane-associated progesterone receptor component 1", "xref": ["CHEMBL.TARGET:CHEMBL4105706"], "id": "UniProtKB:O00264", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acyl-coenzyme A thioesterase 13", "xref": ["CHEMBL.TARGET:CHEMBL4295957"], "id": "UniProtKB:Q9NPJ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cysteine and glycine-rich protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4295833"], "id": "UniProtKB:Q16527", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DnaJ homolog subfamily A member 2", "xref": ["CHEMBL.TARGET:CHEMBL4295671"], "id": "UniProtKB:O60884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T-complex protein 1 subunit epsilon", "xref": ["CHEMBL.TARGET:CHEMBL4295766"], "id": "UniProtKB:P48643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuroblast differentiation-associated protein AHNAK", "xref": ["CHEMBL.TARGET:CHEMBL4296008"], "id": "UniProtKB:Q09666", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aldehyde dehydrogenase family 3 member A2", "xref": ["CHEMBL.TARGET:CHEMBL4295779"], "id": "UniProtKB:P51648", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Medium-chain specific acyl-CoA dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295713"], "id": "UniProtKB:P11310", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-related protein 2/3 complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL4295657"], "id": "UniProtKB:O15144", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Plakophilin-1", "xref": ["CHEMBL.TARGET:CHEMBL4295817"], "id": "UniProtKB:Q13835", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 6", "xref": ["CHEMBL.TARGET:CHEMBL4296020"], "id": "UniProtKB:P56537", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calmodulin-2", "xref": ["CHEMBL.TARGET:CHEMBL4296043"], "id": "UniProtKB:P0DP24", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein NipSnap homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL4295933"], "id": "UniProtKB:Q9BPW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ADP-ribosylation factor-like protein 8B", "xref": ["CHEMBL.TARGET:CHEMBL4295962"], "id": "UniProtKB:Q9NVJ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras GTPase-activating-like protein IQGAP1", "xref": ["CHEMBL.TARGET:CHEMBL4295763"], "id": "UniProtKB:P46940", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Plectin", "xref": ["CHEMBL.TARGET:CHEMBL1293240"], "id": "UniProtKB:Q15149", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcyclin-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL4295948"], "id": "UniProtKB:Q9HB71", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphoribosylformylglycinamidine synthase", "xref": ["CHEMBL.TARGET:CHEMBL4295655"], "id": "UniProtKB:O15067", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytosolic iron-sulfur assembly component 2A", "xref": ["CHEMBL.TARGET:CHEMBL4295943"], "id": "UniProtKB:Q9H5X1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinesin-like protein KIF1A", "xref": ["CHEMBL.TARGET:CHEMBL3308914"], "id": "UniProtKB:Q12756", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "X antigen family member 1", "xref": ["CHEMBL.TARGET:CHEMBL4295952"], "id": "UniProtKB:Q9HD64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ADP-ribose glycohydrolase OARD1", "xref": ["CHEMBL.TARGET:CHEMBL4295991"], "id": "UniProtKB:Q9Y530", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal recognition particle 19 kDa protein", "xref": ["CHEMBL.TARGET:CHEMBL4295704"], "id": "UniProtKB:P09132", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Clustered mitochondria protein homolog", "xref": ["CHEMBL.TARGET:CHEMBL4295673"], "id": "UniProtKB:O75153", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "MOB kinase activator 1B", "xref": ["CHEMBL.TARGET:CHEMBL4295878"], "id": "UniProtKB:Q7L9L4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein bL19m", "xref": ["CHEMBL.TARGET:CHEMBL4295771"], "id": "UniProtKB:P49406", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pyruvate dehydrogenase E1 component subunit beta, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4882"], "id": "UniProtKB:P11177", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein mS29", "xref": ["CHEMBL.TARGET:CHEMBL4295776"], "id": "UniProtKB:P51398", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL4295697"], "id": "UniProtKB:P04843", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "COP9 signalosome complex subunit 8", "xref": ["CHEMBL.TARGET:CHEMBL4296015"], "id": "UniProtKB:Q99627", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome activator complex subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL4296023"], "id": "UniProtKB:P61289", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein LSM12", "xref": ["CHEMBL.TARGET:CHEMBL4295839"], "id": "UniProtKB:Q3MHD2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase WNK1", "xref": ["CHEMBL.TARGET:CHEMBL1075173"], "id": "UniProtKB:Q9H4A3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase HUWE1", "xref": ["CHEMBL.TARGET:CHEMBL4295881"], "id": "UniProtKB:Q7Z6Z7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase TRIM33", "xref": ["CHEMBL.TARGET:CHEMBL2176772"], "id": "UniProtKB:Q9UPN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thymidylate kinase", "xref": ["CHEMBL.TARGET:CHEMBL4388"], "id": "UniProtKB:P23919", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Arginine--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL2824"], "id": "UniProtKB:P54136", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Spermidine synthase", "xref": ["CHEMBL.TARGET:CHEMBL4232"], "id": "UniProtKB:P19623", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pigment epithelium-derived factor", "xref": ["CHEMBL.TARGET:CHEMBL4295753"], "id": "UniProtKB:P36955", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 263", "xref": ["CHEMBL.TARGET:CHEMBL4295908"], "id": "UniProtKB:Q8WUH6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome activator complex subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL4295804"], "id": "UniProtKB:Q06323", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TGF-beta-activated kinase 1 and MAP3K7-binding protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4295902"], "id": "UniProtKB:Q8N5C8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DnaJ homolog subfamily B member 6", "xref": ["CHEMBL.TARGET:CHEMBL4295674"], "id": "UniProtKB:O75190", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translation initiation factor eIF2B subunit gamma", "xref": ["CHEMBL.TARGET:CHEMBL4295961"], "id": "UniProtKB:Q9NR50", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bridging integrator 3", "xref": ["CHEMBL.TARGET:CHEMBL4295959"], "id": "UniProtKB:Q9NQY0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "B-cell receptor-associated protein 31", "xref": ["CHEMBL.TARGET:CHEMBL4295778"], "id": "UniProtKB:P51572", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cysteine and glycine-rich protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295728"], "id": "UniProtKB:P21291", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thioredoxin-dependent peroxide reductase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295742"], "id": "UniProtKB:P30048", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Deoxyribose-phosphate aldolase", "xref": ["CHEMBL.TARGET:CHEMBL4295988"], "id": "UniProtKB:Q9Y315", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 5B", "xref": ["CHEMBL.TARGET:CHEMBL4105852"], "id": "UniProtKB:O60841", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear pore complex protein Nup155", "xref": ["CHEMBL.TARGET:CHEMBL4295680"], "id": "UniProtKB:O75694", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable ATP-dependent RNA helicase DDX6", "xref": ["CHEMBL.TARGET:CHEMBL4105783"], "id": "UniProtKB:P26196", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WD repeat and HMG-box DNA-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295681"], "id": "UniProtKB:O75717", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coatomer subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4295782"], "id": "UniProtKB:P53618", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "N-acetyl-D-glucosamine kinase", "xref": ["CHEMBL.TARGET:CHEMBL4295978"], "id": "UniProtKB:Q9UJ70", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thioredoxin-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295663"], "id": "UniProtKB:O43396", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dynamin-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL4295871"], "id": "UniProtKB:Q6XZF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase UBR4", "xref": ["CHEMBL.TARGET:CHEMBL4295851"], "id": "UniProtKB:Q5T4S7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein transport protein Sec16A", "xref": ["CHEMBL.TARGET:CHEMBL4295654"], "id": "UniProtKB:O15027", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Trifunctional enzyme subunit alpha, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295759"], "id": "UniProtKB:P40939", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small COPII coat GTPase SAR1A", "xref": ["CHEMBL.TARGET:CHEMBL4295960"], "id": "UniProtKB:Q9NR31", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peroxiredoxin-6", "xref": ["CHEMBL.TARGET:CHEMBL4295741"], "id": "UniProtKB:P30041", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leucine-rich repeat-containing protein 15", "xref": ["CHEMBL.TARGET:CHEMBL4295907"], "id": "UniProtKB:Q8TF66", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein phosphatase 1G", "xref": ["CHEMBL.TARGET:CHEMBL3351199"], "id": "UniProtKB:O15355", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pyrroline-5-carboxylate reductase 2", "xref": ["CHEMBL.TARGET:CHEMBL4295923"], "id": "UniProtKB:Q96C36", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane emp24 domain-containing protein 10", "xref": ["CHEMBL.TARGET:CHEMBL4295772"], "id": "UniProtKB:P49755", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glyoxylate reductase/hydroxypyruvate reductase", "xref": ["CHEMBL.TARGET:CHEMBL4295972"], "id": "UniProtKB:Q9UBQ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit I", "xref": ["CHEMBL.TARGET:CHEMBL4295814"], "id": "UniProtKB:Q13347", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS7m", "xref": ["CHEMBL.TARGET:CHEMBL4295986"], "id": "UniProtKB:Q9Y2R9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome activator complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL4295982"], "id": "UniProtKB:Q9UL46", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-related protein 2/3 complex subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL4295658"], "id": "UniProtKB:O15511", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear receptor-binding factor 2", "xref": ["CHEMBL.TARGET:CHEMBL4295924"], "id": "UniProtKB:Q96F24", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H2B type 2-F", "xref": ["CHEMBL.TARGET:CHEMBL4295850"], "id": "UniProtKB:Q5QNW6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cancer-related nucleoside-triphosphatase", "xref": ["CHEMBL.TARGET:CHEMBL4295936"], "id": "UniProtKB:Q9BSD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4295793"], "id": "UniProtKB:P98179", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prefoldin subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL4295976"], "id": "UniProtKB:Q9UHV9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Delta-1-pyrroline-5-carboxylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL4295784"], "id": "UniProtKB:P54886", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acyl-coenzyme A thioesterase 9, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295987"], "id": "UniProtKB:Q9Y305", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inter-alpha-trypsin inhibitor heavy chain H2", "xref": ["CHEMBL.TARGET:CHEMBL4295727"], "id": "UniProtKB:P19823", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TBC1 domain family member 15", "xref": ["CHEMBL.TARGET:CHEMBL4295905"], "id": "UniProtKB:Q8TC07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bifunctional glutamate/proline--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL3873"], "id": "UniProtKB:P07814", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 2A", "xref": ["CHEMBL.TARGET:CHEMBL4295938"], "id": "UniProtKB:Q9BY44", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carbonyl reductase [NADPH] 1", "xref": ["CHEMBL.TARGET:CHEMBL5586"], "id": "UniProtKB:P16152", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL4105790"], "id": "UniProtKB:O95340", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myeloid leukemia factor 2", "xref": ["CHEMBL.TARGET:CHEMBL4295830"], "id": "UniProtKB:Q15773", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acidic leucine-rich nuclear phosphoprotein 32 family member B", "xref": ["CHEMBL.TARGET:CHEMBL4295917"], "id": "UniProtKB:Q92688", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytosolic iron-sulfur assembly component 2B", "xref": ["CHEMBL.TARGET:CHEMBL4295989"], "id": "UniProtKB:Q9Y3D0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin-5", "xref": ["CHEMBL.TARGET:CHEMBL4295647"], "id": "UniProtKB:O00410", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Testis-expressed protein 264", "xref": ["CHEMBL.TARGET:CHEMBL4295994"], "id": "UniProtKB:Q9Y6I9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dihydropyrimidinase-related protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4295834"], "id": "UniProtKB:Q16555", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Deaminated glutathione amidase", "xref": ["CHEMBL.TARGET:CHEMBL4295883"], "id": "UniProtKB:Q86X76", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "F-actin-capping protein subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4295764"], "id": "UniProtKB:P47756", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glyoxalase domain-containing protein 4", "xref": ["CHEMBL.TARGET:CHEMBL4295951"], "id": "UniProtKB:Q9HC38", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "V-type proton ATPase subunit B, brain isoform", "xref": ["CHEMBL.TARGET:CHEMBL5641"], "id": "UniProtKB:P21281", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Multifunctional protein CAD", "xref": ["CHEMBL.TARGET:CHEMBL3093"], "id": "UniProtKB:P27708", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aldehyde dehydrogenase family 16 member A1", "xref": ["CHEMBL.TARGET:CHEMBL4295896"], "id": "UniProtKB:Q8IZ83", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interleukin enhancer-binding factor 2", "xref": ["CHEMBL.TARGET:CHEMBL4295811"], "id": "UniProtKB:Q12905", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acidic leucine-rich nuclear phosphoprotein 32 family member A", "xref": ["CHEMBL.TARGET:CHEMBL4295758"], "id": "UniProtKB:P39687", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent 6-phosphofructokinase, muscle type", "xref": ["CHEMBL.TARGET:CHEMBL3291"], "id": "UniProtKB:P08237", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AH receptor-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL4295645"], "id": "UniProtKB:O00170", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA mismatch repair protein Msh2", "xref": ["CHEMBL.TARGET:CHEMBL4296019"], "id": "UniProtKB:P43246", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prostaglandin reductase 1", "xref": ["CHEMBL.TARGET:CHEMBL4295822"], "id": "UniProtKB:Q14914", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Apoptosis-inducing factor 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295688"], "id": "UniProtKB:O95831", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutamate--cysteine ligase regulatory subunit", "xref": ["CHEMBL.TARGET:CHEMBL4295765"], "id": "UniProtKB:P48507", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "StAR-related lipid transfer protein 7, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3399912"], "id": "UniProtKB:Q9NQZ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Src substrate cortactin", "xref": ["CHEMBL.TARGET:CHEMBL4295820"], "id": "UniProtKB:Q14247", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UV radiation resistance-associated gene protein", "xref": ["CHEMBL.TARGET:CHEMBL4296018"], "id": "UniProtKB:Q9P2Y5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutamate--cysteine ligase catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL4055"], "id": "UniProtKB:P48506", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Monofunctional C1-tetrahydrofolate synthase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295869"], "id": "UniProtKB:Q6UB35", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Poly(rC)-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295825"], "id": "UniProtKB:Q15365", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fructose-2,6-bisphosphatase TIGAR", "xref": ["CHEMBL.TARGET:CHEMBL4295958"], "id": "UniProtKB:Q9NQ88", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylyltransferase and sulfurtransferase MOCS3", "xref": ["CHEMBL.TARGET:CHEMBL4295684"], "id": "UniProtKB:O95396", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein disulfide-isomerase A4", "xref": ["CHEMBL.TARGET:CHEMBL4295717"], "id": "UniProtKB:P13667", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H3.2", "xref": ["CHEMBL.TARGET:CHEMBL4295875"], "id": "UniProtKB:Q71DI3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T-complex protein 1 subunit theta", "xref": ["CHEMBL.TARGET:CHEMBL4295775"], "id": "UniProtKB:P50990", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calponin-2", "xref": ["CHEMBL.TARGET:CHEMBL4295930"], "id": "UniProtKB:Q99439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent 6-phosphofructokinase, liver type", "xref": ["CHEMBL.TARGET:CHEMBL2191"], "id": "UniProtKB:P17858", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peroxiredoxin-4", "xref": ["CHEMBL.TARGET:CHEMBL4295812"], "id": "UniProtKB:Q13162", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thioredoxin-related transmembrane protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295941"], "id": "UniProtKB:Q9H3N1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA replication licensing factor MCM6", "xref": ["CHEMBL.TARGET:CHEMBL4296011"], "id": "UniProtKB:Q14566", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4295965"], "id": "UniProtKB:Q9NYJ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5'-nucleotidase domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295852"], "id": "UniProtKB:Q5TFE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4296004"], "id": "UniProtKB:P50213", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glucose-6-phosphate isomerase", "xref": ["CHEMBL.TARGET:CHEMBL4295702"], "id": "UniProtKB:P06744", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-22A", "xref": ["CHEMBL.TARGET:CHEMBL4295981"], "id": "UniProtKB:Q9UL26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin regulatory light chain 12B", "xref": ["CHEMBL.TARGET:CHEMBL4295652"], "id": "UniProtKB:O14950", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Trafficking protein particle complex subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL4295892"], "id": "UniProtKB:Q8IUR0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Isoleucine--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL3235"], "id": "UniProtKB:P41252", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal recognition particle receptor subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4295993"], "id": "UniProtKB:Q9Y5M8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein SET", "xref": ["CHEMBL.TARGET:CHEMBL4295798"], "id": "UniProtKB:Q01105", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Clathrin light chain A", "xref": ["CHEMBL.TARGET:CHEMBL4295706"], "id": "UniProtKB:P09496", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "YTH domain-containing family protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4295992"], "id": "UniProtKB:Q9Y5A9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Uracil-DNA glycosylase", "xref": ["CHEMBL.TARGET:CHEMBL3277"], "id": "UniProtKB:P13051", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "F-actin-capping protein subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4295781"], "id": "UniProtKB:P52907", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "182 kDa tankyrase-1-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL4295939"], "id": "UniProtKB:Q9C0C2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Filamin-B", "xref": ["CHEMBL.TARGET:CHEMBL4295677"], "id": "UniProtKB:O75369", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small proline-rich protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4295970"], "id": "UniProtKB:Q9UBC9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thymidine kinase, cytosolic", "xref": ["CHEMBL.TARGET:CHEMBL2883"], "id": "UniProtKB:P04183", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitotic interactor and substrate of PLK1", "xref": ["CHEMBL.TARGET:CHEMBL4295893"], "id": "UniProtKB:Q8IVT2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ketosamine-3-kinase", "xref": ["CHEMBL.TARGET:CHEMBL4295947"], "id": "UniProtKB:Q9HA64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "(E3-independent) E2 ubiquitin-conjugating enzyme", "xref": ["CHEMBL.TARGET:CHEMBL4295940"], "id": "UniProtKB:Q9C0C9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vesicle-fusing ATPase", "xref": ["CHEMBL.TARGET:CHEMBL2311231"], "id": "UniProtKB:P46459", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine hydroxymethyltransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295747"], "id": "UniProtKB:P34897", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hippocalcin-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295755"], "id": "UniProtKB:P37235", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein bL12m", "xref": ["CHEMBL.TARGET:CHEMBL4295780"], "id": "UniProtKB:P52815", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable methyltransferase TARBP1", "synonym": ["tRNA (guanosine(18)-2'-O)-methyltransferase TARBP1"], "xref": ["CHEMBL.TARGET:CHEMBL2807"], "id": "UniProtKB:Q13395", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Very-long-chain 3-oxoacyl-CoA reductase", "xref": ["CHEMBL.TARGET:CHEMBL5998"], "id": "UniProtKB:Q53GQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tensin-3", "xref": ["CHEMBL.TARGET:CHEMBL4295861"], "id": "UniProtKB:Q68CZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Jupiter microtubule associated homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL4295946"], "id": "UniProtKB:Q9H910", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "V-type proton ATPase catalytic subunit A", "xref": ["CHEMBL.TARGET:CHEMBL4295756"], "id": "UniProtKB:P38606", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Replication factor C subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL4296000"], "id": "UniProtKB:P40937", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Long-chain-fatty-acid--CoA ligase 1", "xref": ["CHEMBL.TARGET:CHEMBL4295746"], "id": "UniProtKB:P33121", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transforming growth factor-beta-induced protein ig-h3", "xref": ["CHEMBL.TARGET:CHEMBL4295829"], "id": "UniProtKB:Q15582", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5203"], "id": "UniProtKB:P33316", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Constitutive coactivator of PPAR-gamma-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295966"], "id": "UniProtKB:Q9NZB2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BLOC-2 complex member HPS6", "xref": ["CHEMBL.TARGET:CHEMBL4295884"], "id": "UniProtKB:Q86YV9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Epithelial splicing regulatory protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295865"], "id": "UniProtKB:Q6NXG1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Plastin-2", "xref": ["CHEMBL.TARGET:CHEMBL4295718"], "id": "UniProtKB:P13796", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-2 complex subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4295687"], "id": "UniProtKB:O95782", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinesin-like protein KIF15", "xref": ["CHEMBL.TARGET:CHEMBL3632454"], "id": "UniProtKB:Q9NS87", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "General vesicular transport factor p115", "xref": ["CHEMBL.TARGET:CHEMBL4295669"], "id": "UniProtKB:O60763", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysophosphatidylcholine acyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4295903"], "id": "UniProtKB:Q8NF37", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Catenin alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4295748"], "id": "UniProtKB:P35221", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tight junction protein ZO-1", "synonym": ["Tight junction protein 1"], "xref": ["CHEMBL.TARGET:CHEMBL4296026"], "id": "UniProtKB:Q07157", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ADP-ribosylation factor-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4295751"], "id": "UniProtKB:P36404", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome adapter and scaffold protein ECM29", "xref": ["CHEMBL.TARGET:CHEMBL4295853"], "id": "UniProtKB:Q5VYK3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase 6", "xref": ["CHEMBL.TARGET:CHEMBL5121"], "id": "UniProtKB:Q16659", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gelsolin", "xref": ["CHEMBL.TARGET:CHEMBL4295700"], "id": "UniProtKB:P06396", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pyrroline-5-carboxylate reductase 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4296002"], "id": "UniProtKB:P32322", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aminoacyl tRNA synthase complex-interacting multifunctional protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295810"], "id": "UniProtKB:Q12904", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fructose-bisphosphate aldolase C", "xref": ["CHEMBL.TARGET:CHEMBL4295709"], "id": "UniProtKB:P09972", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL5575"], "id": "UniProtKB:Q15046", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL1741187"], "id": "UniProtKB:P52292", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA replication licensing factor MCM4", "xref": ["CHEMBL.TARGET:CHEMBL4105745"], "id": "UniProtKB:P33991", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein mS23", "xref": ["CHEMBL.TARGET:CHEMBL4295990"], "id": "UniProtKB:Q9Y3D9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription intermediary factor 1-beta", "xref": ["CHEMBL.TARGET:CHEMBL3769297"], "id": "UniProtKB:Q13263", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Methionine--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL2870"], "id": "UniProtKB:P56192", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent RNA helicase DHX15", "xref": ["CHEMBL.TARGET:CHEMBL4295661"], "id": "UniProtKB:O43143", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein transport protein Sec23A", "xref": ["CHEMBL.TARGET:CHEMBL4295827"], "id": "UniProtKB:Q15436", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "High mobility group protein B2", "xref": ["CHEMBL.TARGET:CHEMBL4295734"], "id": "UniProtKB:P26583", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vigilin", "xref": ["CHEMBL.TARGET:CHEMBL4295796"], "id": "UniProtKB:Q00341", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial import inner membrane translocase subunit TIM50", "xref": ["CHEMBL.TARGET:CHEMBL4295842"], "id": "UniProtKB:Q3ZCQ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-associated protein 2-like", "xref": ["CHEMBL.TARGET:CHEMBL4295819"], "id": "UniProtKB:Q14157", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase", "xref": ["CHEMBL.TARGET:CHEMBL5922"], "id": "UniProtKB:P22234", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase subunit gamma, mitochondrial", "synonym": ["ATP synthase F(1) complex subunit gamma, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL4295752"], "id": "UniProtKB:P36542", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leucine-rich repeat flightless-interacting protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295838"], "id": "UniProtKB:Q32MZ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein Q", "xref": ["CHEMBL.TARGET:CHEMBL4295997"], "id": "UniProtKB:O60506", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polymeric immunoglobulin receptor", "xref": ["CHEMBL.TARGET:CHEMBL4295691"], "id": "UniProtKB:P01833", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Poly(rC)-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4295826"], "id": "UniProtKB:Q15366", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal recognition particle subunit SRP54", "xref": ["CHEMBL.TARGET:CHEMBL4295786"], "id": "UniProtKB:P61011", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-related protein 2/3 complex subunit 1B", "xref": ["CHEMBL.TARGET:CHEMBL4295656"], "id": "UniProtKB:O15143", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein disulfide-isomerase A3", "xref": ["CHEMBL.TARGET:CHEMBL4296001"], "id": "UniProtKB:P30101", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein D0", "xref": ["CHEMBL.TARGET:CHEMBL4296009"], "id": "UniProtKB:Q14103", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vinculin", "xref": ["CHEMBL.TARGET:CHEMBL4295723"], "id": "UniProtKB:P18206", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caprin-1", "xref": ["CHEMBL.TARGET:CHEMBL4295821"], "id": "UniProtKB:Q14444", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Elongation factor 1-gamma", "xref": ["CHEMBL.TARGET:CHEMBL4295735"], "id": "UniProtKB:P26641", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leucine-rich PPR motif-containing protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295762"], "id": "UniProtKB:P42704", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vesicle-trafficking protein SEC22b", "xref": ["CHEMBL.TARGET:CHEMBL4295679"], "id": "UniProtKB:O75396", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleolin", "xref": ["CHEMBL.TARGET:CHEMBL4295725"], "id": "UniProtKB:P19338", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXASPPWQHFOWPL-LFXZADKFSA-N", "SMILES:COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4129639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIBKMNMAFWKVGM-CKCKDEBVSA-N", "SMILES:C=C1C2(CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@]13O)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMWYOKGHGSVSC-SECATLSXSA-N", "SMILES:C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4127172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMWYOKGHGSVSC-CQNVZCOISA-N", "SMILES:C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4125795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZZOQYXEGRKNH-PZLLVVPKSA-N", "SMILES:C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]45C)[C@@H]3CN2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4129894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSSXNTZKMOAXRA-MXXYQIINSA-N", "SMILES:C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]45C)[C@@H]3CN2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4127367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSTXBXCICGBPQ-QUPYMMALSA-N", "SMILES:C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]45C)[C@@H]3CN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWBJDDYEYGDWCZ-ATGPSCQOSA-N", "SMILES:C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4127114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUWBGIKSXLESW-UHFFFAOYSA-N", "SMILES:O=C(NOCCOCCOCCOCCC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZJBPZCWKLESY-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]c(-c3ccc4c(Cl)cc(Cl)c(O)c4n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDLRNYPCUDZBDY-SARPRWNPSA-N", "SMILES:CCC(=O)N[C@@H](Cc1nc2ccc(Cl)cc2s1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CCOc2ccccc21)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGFWBQRVLPCIX-QXGSTGNESA-N", "SMILES:NS(=O)(=O)OC[C@@H]1C[C@@H](N2CCc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRVJYJYBTMSOOF-KPKJPENVSA-N", "SMILES:O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCNc1nc2c(s1)C=Cc1cc(Cl)ccc1C2c1cn(Cc2nc(C(=O)Nc3nnn[nH]3)cs2)c(=O)[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGXVMPBEEBYKSJ-RVDMUPIBSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(/C=C/c3ccc(CCC(=O)NCCCCCC(=O)NCCNC(=O)CCNc4nc5c(s4)C=Cc4cc(Cl)ccc4C5c4cn(Cc5nc(C(=O)Nc6nnn[nH]6)cs5)c(=O)[nH]c4=S)cc3)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWXDREVNHWGCPP-MDWZMJQESA-N", "SMILES:Cn1cc(C2c3ccc(Cl)cc3C=Cc3sc(NCCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(C=C5)Cc5ccc(-c7cccs7)n5[B-]6(F)F)cc4)nc32)c(=S)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWVBAUEBVZOAN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCNC(=O)CCNc3nc4c(s3)C=Cc3cc(Cl)ccc3C4c3cn(C)c(=O)[nH]c3=S)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSUTNKAPWLSMZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)NCCNC(=O)CCNc3nc4c(s3)C=Cc3cc(Cl)ccc3C4c3cn(C)c(=O)[nH]c3=S)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQPNZSPJDOSGMI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)NCCOCCOCCNC(=O)CCNc3nc4c(s3)C=Cc3cc(Cl)ccc3C4c3cn(C)c(=O)[nH]c3=S)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAHVAHFZKSBFC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXJHNYHJQEHBV-CLCXKQKWSA-N", "SMILES:O=C1C[C@H]2O[C@H](CCc3ccccc3)C3=C(C(=O)C=CC3=O)[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWFCBNZRRITRU-BBACVFHCSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490129", "category": ["biolink:ChemicalEntity"], "name": "SANGUINARIUM CHLORIDE", "xref": ["InChIKey:GIZKAXHWLRYMLE-UHFFFAOYSA-M", "SMILES:C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-]"], "synonym": ["Sanguinarium chloride", "Chlorure de sanguinarium", "Cloruro de sanguinario", "Sanguinarine chloride", "Viadent", "Sanguinarium chloride"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4129858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVLURDXZRIWRD-UHFFFAOYSA-M", "SMILES:Cc1cc(-c2ccc(C(F)(F)F)cc2)cc2c3ccccc3c[n+](C)c12.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEBNYMXKXIIGFX-OKXQOVHHSA-N", "SMILES:COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL454668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPRYVGBEBFLIG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1c2ccc(=O)c([As]3SCCS3)c-2oc2c([As]3SCCS3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNIBJWQHKWCMGJ-UHFFFAOYSA-N", "SMILES:O=c1ccc2nc3ccc(O)c([As]4SCCS4)c3oc-2c1[As]1SCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWUAZYHUQBKNR-UHFFFAOYSA-O", "SMILES:CC1(C)C(/C=C/C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccc([As]4SCCS4)cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc([As]3SCCS3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDHHTMYURAAYGN-UHFFFAOYSA-O", "SMILES:CC1(C)C(/C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccc([As]4SCCS4)cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc([As]3SCCS3)cc21"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 13", "xref": ["CHEMBL.TARGET:CHEMBL2976"], "id": "UniProtKB:Q12923", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPWPVJEHDKQKH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1c2cc(Cl)c(=O)c([As]3SCCS3)c-2oc2c([As]3SCCS3)c(O)c(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWHJQRQKBSHDDI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1c2cc(F)c(=O)c([As]3SCCS3)c-2oc2c([As]3SCCS3)c(O)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSAFWHCMNHOLJT-UHFFFAOYSA-N", "SMILES:CCc1cc2c(-c3ccccc3C(=O)O)c3cc(CC)c(=O)c([As]4SCCS4)c-3oc2c([As]2SCCS2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVPIXJAKHGMWHE-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(F)c(F)c(F)c(F)c1-c1c2ccc(=O)c([As]3SCCS3)c-2oc2c([As]3SCCS3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMGUAYSVORAXKV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2c3ccc(=O)c([As]4SCCS4)c-3oc3c([As]4SCCS4)c(O)ccc23)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDLGXZGTZMEZNZ-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc(-c2c3ccc(=O)c([As]4SCCS4)c-3oc3c([As]4SCCS4)c(O)ccc23)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYFURIWRJWDQS-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2ccc(=O)c([As]3SCCS3)c-2oc2c([As]3SCCS3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRNNCCLFYLKOFO-VOTSOKGWSA-N", "SMILES:N=C(NN)c1ccc2cc(/C=C/c3ccccc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPJUXJQBPMHMO-FNORWQNLSA-N", "SMILES:N=C(NN)c1ccc2cc(/C=C/c3ccccc3F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFUKXXLJMRLEFC-SNAWJCMRSA-N", "SMILES:N=C(NN)c1ccc2cc(/C=C/c3cccc(F)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWYTBMEFHZWJB-SNAWJCMRSA-N", "SMILES:N=C(NN)c1ccc2cc(/C=C/c3cccc(Cl)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVKGOBGVNWDHSG-OWOJBTEDSA-N", "SMILES:N=C(NN)c1ccc2cc(/C=C/c3ccc(Cl)cc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPAXDJIPRNJGBN-NSCUHMNNSA-N", "SMILES:COc1ccc(/C=C/c2ccc3cc(C(=N)NN)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGIXRYHFEAICKG-VOTSOKGWSA-N", "SMILES:Cc1ccc(/C=C/c2ccc3cc(C(=N)NN)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYVYWWEAYYRHA-HXUWFJFHSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(C(=N)N)cc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4130135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBUFMZMUQKRGQZ-HXUWFJFHSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(C(=N)N)cc2)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNTJJZQMTAZQND-LJQANCHMSA-N", "SMILES:N=C(N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(F)cc2)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMAIQZRLXYAQF-LJQANCHMSA-N", "SMILES:N=C(N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJSHQTWOHGCMM-MUUNZHRXSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTROLECZHRVLFM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NC(C)Cc3cc(C)[nH]n3)ncnc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBCUJRVCKAPUJK-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(-n2nc(NCCc3cn(-c4ccccc4)nn3)nc2-c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVOPJQADIRJMJ-UHFFFAOYSA-N", "SMILES:COCC(C)Oc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJNPOGKWPRMCZ-UHFFFAOYSA-N", "SMILES:COCCOCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJIQXYFYDZBWRZ-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(-n2nc(OCC(O)CO)nc2-c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZVPOTYQXSRGSA-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(-n2nc(OCCCO)nc2-c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRHTDONQDPBHO-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(-n2nc(OCCO)nc2-c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWHDCQCCIPLQU-UHFFFAOYSA-N", "SMILES:COCCOc1nc(-c2ccc(NC(=O)CCl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZAPHJSATZRCT-NNLCOOMYSA-N", "SMILES:CC(CCCC(C)(C)O)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIXLWYJTVEVGO-YHGWSDCJSA-N", "SMILES:C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4128557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJREHMDUQCCEI-XRYDYIBCSA-N", "SMILES:CC1=C2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4130224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAZYYOOCMSQRCP-UHFFFAOYSA-M", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHKRQZQRGCCWOO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C)c2cc(N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQWAGLLISXEQGE-UHFFFAOYSA-N", "SMILES:Nc1ccc2nc(N3CCCC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYYYBBFOLGROC-UHFFFAOYSA-N", "SMILES:CC1Oc2ccc(N)cc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYDDTFAVDJJAI-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(C(=O)O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARPWLTXDPCHBLE-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2cc(C(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSNDMDWCOAEQQH-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSIJSTBYTYFTNJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLUUPRLHNBWYDG-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NC(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGJLSWWMZISKD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(CCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJYTWTZQTZAHCI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C)c2cc(NC(=O)c3cc4c(s3)CCC4)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIDJXYSBBLFEL-UHFFFAOYSA-N", "SMILES:COCCOc1ccccc1CNc1ccc2c(c1)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQJKVPQIBBKSC-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2occc2COc2ccccc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSLFJMKIHFNQI-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NC(=O)c3sc4nc(C(F)(F)F)ccc4c3C)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1412409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPHZPWZSSBCSAH-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(N)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYANATZTFXSNEV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(Cl)c2[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1561896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVXSYGKEPLNOTR-UHFFFAOYSA-N", "SMILES:COc1cccc(COC(=O)c2nn(-c3ccccc3)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLQJTSHZYGWBO-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1383610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNMNQDOKBYKDCH-UHFFFAOYSA-N", "SMILES:Cc1ccc(COC(=O)c2nn(-c3ccccc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWWNDLILWPPJP-REXWONOSSA-N", "SMILES:CO[C@H]1/C=C/[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC/C=C/1C"], "chembl_natural_product": true}
{"name": "UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4541"], "id": "UniProtKB:P84058", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:158879"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWJHRBPKGHHEDX-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(O)cc(O)c2c1oc1c(=O)[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYTGUNDPUMJHPW-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(O)cc(O)c2c1oc1c(=O)[nH]c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YROMDBCZHPOCDZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBNVUFMJQUOIKN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC2CCN(c3nccc(Nc4ccc(F)cc4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLEXFAVHCWOELK-QFIPXVFZSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4c(N[C@H]5CCCN(C)C5)nc(Nc5ccccc5)nc4cn3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRYYLWKJHISCY-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)c1ncc(-c2cn(Cc3ccccc3)nn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYCSSHCCYRTHQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(Cc3ccccc3)nn2)cnc1C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYHLKQXSHLPDU-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(-c2cn(Cc3ccccc3)nn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RODNKCMKPZCZKG-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(-c2cn(CCCc3ccc(Cl)cc3)nn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSGHILSJDHCIF-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(-c2cn(CCc3ccc(Cl)cc3)nn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTWJKOAUVCQII-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(-c2cn(Cc3ccc(Cl)cc3)nn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RELAADZNNODLCP-UHFFFAOYSA-N", "SMILES:CC(c1ccc(Cl)cc1)n1cc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPIQYFCICQIWDQ-UHFFFAOYSA-N", "SMILES:CCC(c1ccc(Cl)cc1)n1cc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKUAGIKRPHJIJN-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(-c2cn(CCOc3ccc(Cl)cc3)nn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMDUHOPEUGRRL-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(-c2cn(CCCOc3ccc(Cl)cc3)nn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJPRTWIVYNDMX-IBGZPJMESA-N", "SMILES:COc1cccc(CN2CCCCC23CC3)c1OC[C@@H](O)CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMHIBBAZRKTBAY-HSZRJFAPSA-N", "SMILES:Cc1cccc(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWORZOMJGXPLR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)n(C(C)C)c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCVAZCDDQIPRI-KJEVSKRMSA-N", "SMILES:Cl.O=C1/C(=C/c2ccncc2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4130207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZSXYCRZSEFFX-RRAJOLSVSA-N", "SMILES:Cl.O=C1/C(=C/c2ccncc2)Cc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUPMLNSSRNBLAM-YGCVIUNWSA-N", "SMILES:Cl.O=C1/C(=C/c2ccncc2)Cc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRMMNULISPFAO-MXZHIVQLSA-N", "SMILES:Cl.O=C1/C(=C/c2ccncc2)Cc2cccc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQDYURLBRACHJ-WXIWBVQFSA-N", "SMILES:Cl.O=C1/C(=C/c2cccnc2)Cc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCQIKQSCZWHGCI-RVDQCCQOSA-N", "SMILES:Cl.O=C1/C(=C/c2cccnc2)Cc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYHZVWOLDYJLK-NPQRDTPESA-N", "SMILES:CCCCCCCCCCNC(=O)CCCSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRTANEYMDBHAMB-LURJTMIESA-N", "SMILES:O=C1C=C[C@@H](CO)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVAXTJIRCBICU-NTSWFWBYSA-N", "SMILES:O=C1CO[C@H](CO)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQCMDHUVKEZPE-DLBZAZTESA-N", "SMILES:Cc1ccc([C@H](C)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLYWYBIZBFHNH-JKSUJKDBSA-N", "SMILES:Cc1ccc([C@H](C)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVIHDEUPJUWZRH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-n5cccn5)cc4c32)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKIZEYGVQGBATQ-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUEULZNGJZLPLJ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CNc3ccc(CN4CCOCC4)cc3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFMOOCZJXSTBL-FBHDLOMBSA-N", "SMILES:O=C1S/C(=C\\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUBURUGPSNXIHB-JJFYIABZSA-N", "SMILES:CN1CCC(N2C(=O)S/C(=C\\c3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRSIIYPHIMZESQ-UUYOSTAYSA-N", "SMILES:O=C1S/C(=C\\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTLUHSOTNWOAQ-FMCGGJTJSA-N", "SMILES:O=C1S/C(=C\\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1C1CCN(CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOTOICAXGUZLGR-RZPABEQDSA-N", "SMILES:N[C@@H](CO)CN1C(=O)S/C(=C\\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAGGJMBSIVHFX-PXSLILGDSA-N", "SMILES:O=C1S/C(=C\\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1C[C@H]1COCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMBCLYWOMRBAV-XMZCPZMQSA-N", "SMILES:O=C1S/C(=C\\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1[C@@H]1CCNC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWQZQGXFKNCUKD-JEEUTQCASA-N", "SMILES:CN1CC[C@@H](N2C(=O)S/C(=C\\c3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMWZMQRULSUIP-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3cccc(-c4nc5c(C(N)=O)cccc5[nH]4)c3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIKFTBPIYGUSK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(Nc4c5ccccc5nc5ccccc45)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFXVRCFFDKTJE-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3ccccc3c(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTAZCBOERHQPJJ-UHFFFAOYSA-N", "SMILES:COc1cccc2c(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGCZLRXBUTNMO-UHFFFAOYSA-N", "SMILES:CCCCc1ccc2nc3ccccc3c(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVOOGEWYBGFIML-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3ccccc3c(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWRSEDFUBNYNQS-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLJCKAFLFROHB-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3ccccc3c(Nc3cccc(-c4nc5c(C(N)=O)cccc5[nH]4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYDWJGHSGDUOP-UHFFFAOYSA-N", "SMILES:COc1cccc2c(Nc3cccc(-c4nc5c(C(N)=O)cccc5[nH]4)c3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJXRYCIFVVCMD-UHFFFAOYSA-N", "SMILES:CCCCc1ccc2nc3ccccc3c(Nc3cccc(-c4nc5c(C(N)=O)cccc5[nH]4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCQHNDHIUDJMEZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3ccccc3c(Nc3cccc(-c4nc5c(C(N)=O)cccc5[nH]4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKMOLGJXMSYAK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccccc3Nc3c4ccccc4nc4ccccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAYXXAXQEUALMP-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3ccccc3c(Nc3ccccc3-c3nc4c(C(N)=O)cccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWQWYGMQFFERGB-AAXWAMNBSA-N", "SMILES:CN1CCN(C(=O)/C=C/[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJXYEABWRJFSP-XOBRGWDASA-N", "SMILES:C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500585", "category": ["biolink:ChemicalEntity"], "name": "USCHARIN", "xref": ["InChIKey:DONIPVCAKBPJLH-IGACXKNBSA-N", "SMILES:C[C@@H]1C[C@@]2(N=CCS2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1"], "chembl_natural_product": true}
{"name": "Neurogenic locus notch homolog protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295799"], "id": "UniProtKB:Q01705", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Dipeptidyl peptidase IV", "xref": ["CHEMBL.TARGET:CHEMBL4295559"], "id": "UniProtKB:O31048", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:837"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAXBLMRSELOUNT-ULQDDVLXSA-N", "SMILES:N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBJOAGVNBRVQF-KATARQTJSA-N", "SMILES:CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOIVEVNYGYOZSP-ACRUOGEOSA-N", "SMILES:N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CCCCNCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CETGJKHDVDGZDA-ZDUSSCGKSA-N", "SMILES:Nc1nc2[nH]c(CC(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFJDDXFAFBODCL-QMMMGPOBSA-N", "SMILES:Nc1nc2[nH]c(CC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKIIITBMPWEWKZ-LBPRGKRZSA-N", "SMILES:Nc1nc2[nH]c(CC(=O)NCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVBJOCFJBLGMY-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJTWTUYVOEEFW-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAIJPDVWWJJME-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(-n2cncn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1612460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMHNTGPQUCHKHG-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(Oc2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVBBMZMEKXUTR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDIDIYLWBUNEW-UHFFFAOYSA-N", "SMILES:CCC(=O)c1c[nH]c(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGSWOEOJYNQPRP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(C)c(=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSXINVPTHYSNM-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cc1"]}
{"name": "Solute carrier family 2, facilitated glucose transporter member 4", "xref": ["CHEMBL.TARGET:CHEMBL5874"], "id": "UniProtKB:P14672", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGDVHPZTXBPSIT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQRCWORKDNNAK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOGIHBUIABXJF-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3ccc(OC)c(OC)c3)nc3ccccc23)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USEAKORJENDYDU-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc(Nc2cccc([N+](=O)[O-])c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPNOBVTYTANSBF-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRPKFVAUMBVEI-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(CO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSQUEGQOOFGQGQ-UHFFFAOYSA-N", "SMILES:OCc1cnn(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBWYVZHTYJMES-UHFFFAOYSA-N", "SMILES:O=Cc1cn(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVBSIJRKZOGJB-YRNVUSSQSA-N", "SMILES:O/N=C/c1cnn(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUTPWJQTXRHWBN-UHFFFAOYSA-N", "SMILES:CCCCOCc1cn(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJULFFCNBYKZJR-UHFFFAOYSA-N", "SMILES:CCOCc1cn(-c2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEAVAJUXHIRGBZ-UHFFFAOYSA-N", "SMILES:CCOCc1cnn(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLXPXRIHKFQMEJ-OAMUUVBCSA-N", "SMILES:COc1ccccc1/C=C/C(=O)/C=C/c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDMCSLBWKBFDU-DCIPZJNNSA-N", "SMILES:COc1ccccc1/C=C/C(=O)/C=C/c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZSIIUEADYXAA-OAMUUVBCSA-N", "SMILES:COc1cccc(/C=C/C(=O)/C=C/c2ccc(O)c(Br)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCSTBKTLBKJCJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLAGHISFSWKXEN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXBIBEBGRUYDPM-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(-c3sc(SCCN4CCOCC4)nc3C)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCWJAHTZACCSBC-YBFXNURJSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/C1CCN(Cc3cc(N)c4ccccc4n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOGKYTDDIJKAQP-YBFXNURJSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/C1CCN(Cc3cc(N=[N+]=[N-])c4ccccc4n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AANWEVBYQIJVJS-IAPPQJPRSA-N", "SMILES:CCCCCCC#Cc1ccc(CO[C@H]2CN[C@H](C(=O)NCc3cc4ccccc4[nH]3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDUCYXCGWGNEMH-NRFANRHFSA-N", "SMILES:CCC[C@@](N)(CO)CCc1ccc(OCCCCCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANZQRKMALHOBU-XNTDXEJSSA-N", "SMILES:CCCCc1ccc(/C(C)=N/NC(N)=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHKTQASPGFXQK-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c2c(OCC3CS3)cc(OCC3CS3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDCWAGBPDCXRDU-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c2c(O)cc(OCC3CS3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADBHQMYOHIXRRC-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC3CS3)cc(OCC3CS3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPTYJMPLBBDGW-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC3CS3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEWIOZSINTPGY-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC3CO3)cc(OCC3CO3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKXRGIBSHPBNGG-UHSVQXHJSA-N", "SMILES:C=C(CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTCBUZCDFCWVES-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPAYGWQWDNWZJW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNJYOKCMJJIST-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEOYTJUKNUGJH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191482", "category": ["biolink:ChemicalEntity"], "name": "AR-42", "xref": ["InChIKey:LAMIXXKAWNLXOC-INIZCTEOSA-N", "SMILES:CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1"], "synonym": ["Ar-42", "Osu-hdac 42", "Rec-2282", "(S)-HDAC 42", "(S)-HDAC-42", "AR-42", "AR42"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4168486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTQUKLKYGNNHT-JOCHJYFZSA-N", "SMILES:CC(C)[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHOKWYQKMAARRC-JAIQZWGSSA-N", "SMILES:O=C1COCCN1c1ccc(/N=C\\c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPWVAGLGFFBRQI-YUMHPJSZSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(/C=N\\c3ccc(N4CCOCC4=O)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUCWWRQEOMQMPP-MBTHVWNTSA-N", "SMILES:O=C1COCCN1c1ccc(/N=C\\c2cn(C(=O)c3ccc(Cl)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKQXYSDMUVPSKW-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c(Oc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPXIWHBRBFRQM-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)c2c(O)ccc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4164983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINAGOUMBSXMRB-DQLQDYHGSA-N", "SMILES:O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)O)cc(O)c(O)c4O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4169485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWZCELPDKODQNM-IWOLEWSRSA-N", "SMILES:O=C(O[C@H]1[C@@H]2OC(=O)c3cc(Oc4c(C(=O)O)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC[C@H]2OC(O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4161565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFXITXVOJCXDCJ-YLVKXZTISA-N", "SMILES:O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)O[C@@H]5O[C@@H]6COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)O[C@H]6[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@H]5OC(=O)c5cc(O)c(O)c(O)c5)cc(O)c(O)c4O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4161158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMASISZXMLEPOZ-SFKHJRCFSA-N", "SMILES:O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)O[C@@H]5O[C@@H]6COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(Oc8c(C(=O)O[C@@H]9O[C@@H]%10COC(=O)c%11cc(O)c(O)c(O)c%11-c%11c(cc(O)c(O)c%11O)C(=O)O[C@H]%10[C@H](OC(=O)c%10cc(O)c(O)c(O)c%10)[C@H]9OC(=O)c9cc(O)c(O)c(O)c9)cc(O)c(O)c8O)c(O)c7O)C(=O)O[C@H]6[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@H]5OC(=O)c5cc(O)c(O)c(O)c5)cc(O)c(O)c4O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4174325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGIDNHTNYWEBP-XKMQQPDDSA-N", "SMILES:O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)O[C@@H]5O[C@@H]6COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(Oc8c(C(=O)O)cc(O)c(O)c8O)c(O)c7O)C(=O)O[C@H]6[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@H]5OC(=O)c5cc(O)c(O)c(O)c5)cc(O)c(O)c4O)c(O)c3O)C(=O)[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4172944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAXDTLWOOOJAQ-GNWJNHLCSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4171934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIPXNZUEQYPLZ-QSUZLTIMSA-N", "SMILES:COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccccc3)cc(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL46917", "category": ["biolink:ChemicalEntity"], "name": "CARBARIL", "xref": ["InChIKey:CVXBEEMKQHEXEN-UHFFFAOYSA-N", "SMILES:CNC(=O)Oc1cccc2ccccc12"], "synonym": ["Carbaryl", "Carbaril", "Carbarilo", "ENT-23969", "NSC-27311", "Carylderm", "Clinicide", "Derbac", "Derbac-c", "Suleo-c"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4160962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDFYWRZFJNSRHP-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1COc1ccc(NC(=O)c2ccncc2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHXQALTNKXTMI-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2ccc(F)cc2)c(O)cc1O)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQIEUVQPKDGJY-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]c2cc(Cl)ccc2c1C1C(=O)NCCCCCCCCCCCCCCC(=O)N1Cc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGUQTALSXMYZCZ-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIVUCIYBAWAQP-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLSOCAVLHFVRA-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1cccc(N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179618", "category": ["biolink:ChemicalEntity"], "name": "NEXTURASTAT A", "xref": ["InChIKey:JZWXMCPARMXZQV-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSSGPVMVBTLSO-UHFFFAOYSA-N", "SMILES:CCc1ccc2nc(C(c3ccc(OC)c(OC)c3)n3cc(CCN4CCCCC4)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAPRCPMMPXJJIA-VIFPVBQESA-N", "SMILES:COc1cc(OC)c([C@H](C)C(OC)OC)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4164558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNRGYSRFBDZLB-OQPBUACISA-N", "SMILES:COc1cc(OC)c([C@@H](OC)[C@@H](C)O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4159205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNRGYSRFBDZLB-ISVAXAHUSA-N", "SMILES:COc1cc(OC)c([C@H](OC)[C@H](C)O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4169855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNRGYSRFBDZLB-AMIZOPFISA-N", "SMILES:COc1cc(OC)c([C@H](OC)[C@@H](C)O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4162593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNRGYSRFBDZLB-SDBXPKJASA-N", "SMILES:COc1cc(OC)c([C@@H](OC)[C@H](C)O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4173283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMXXWPCCYKAQZ-OTYXRUKQSA-N", "SMILES:CCO[C@H](c1cc(OC)c(OC)cc1OC)[C@@H](C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4166039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMXXWPCCYKAQZ-LKFCYVNXSA-N", "SMILES:CCO[C@@H](c1cc(OC)c(OC)cc1OC)[C@H](C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4176651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMXXWPCCYKAQZ-YMTOWFKASA-N", "SMILES:CCO[C@@H](c1cc(OC)c(OC)cc1OC)[C@@H](C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4169466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMXXWPCCYKAQZ-XPTSAGLGSA-N", "SMILES:CCO[C@H](c1cc(OC)c(OC)cc1OC)[C@H](C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4161541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTCCLUBWBHJMP-KRTXAFLBSA-N", "SMILES:COc1cc(OC)c([C@@H](O)[C@@H](C)O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4164085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTCCLUBWBHJMP-JMCQJSRRSA-N", "SMILES:COc1cc(OC)c([C@H](O)[C@@H](C)O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4174741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZSTCWLAWIFNV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C(O)C(C)=O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4170502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTMBHHLVSFJIP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C(C)=O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1164301", "category": ["biolink:ChemicalEntity"], "name": "ASARALDEHYDE", "xref": ["InChIKey:IAJBQAYHSQIQRE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(OC)cc1C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2088633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZISWRXJZUKDIOO-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCO)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4166047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAPRCPMMPXJJIA-SECBINFHSA-N", "SMILES:COc1cc(OC)c([C@@H](C)C(OC)OC)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4174980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWBENSTFQIQNV-PKERQCHISA-N", "SMILES:COc1cc(OC)c([C@@H]2[C@@H](C)[C@H](c3cc(OC)c(OC)cc3OC)O[C@@H]2C)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL260183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXBRUKMWQGOIE-AFHBHXEDSA-N", "SMILES:COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL466931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTKHRLZMWODHJA-KUCLMONLSA-N", "SMILES:COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1704274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVWKMCPPEMUHBE-KUCLMONLSA-N", "SMILES:COc1cc([C@H]2Oc3c(OC)cc(CCCO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3[C@@H]2CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3330555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHILYGXOBHUOSE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1nc(SCc2cn(Cc3ccc(Cl)cc3)nn2)nc(-c2ccccc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRONPBCDULBQQV-UHFFFAOYSA-N", "SMILES:CC(C)NC(=N)c1ccc2[nH]c(-c3ccc(OCc4cn(-c5ccc(Cl)cc5)nn4)cc3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFGTEXYOPOWID-UHFFFAOYSA-N", "SMILES:Cl.c1ccc(Cn2cc(COc3ccc(-c4nc5cc(C6=NCCN6)ccc5[nH]4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAFLLPPLCNLBF-CXQACEEJSA-N", "SMILES:O=C(Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYBIYOGYGXIDJG-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cc(CN3CCN(C)CC3)nn2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBKEFOWTCEAKB-UHFFFAOYSA-N", "SMILES:CSC1=NNC(c2ccccn2)S1"]}
{"name": "Cystathionine gamma-lyase", "xref": ["CHEMBL.TARGET:CHEMBL4295745"], "id": "UniProtKB:P32929", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFJNLJFVQVYZRY-MRVPVSSYSA-N", "SMILES:C[C@@H]1CCc2cc(F)ccc2N1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFJNLJFVQVYZRY-QMMMGPOBSA-N", "SMILES:C[C@H]1CCc2cc(F)ccc2N1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJHGZZZUYBQIE-SSDOTTSWSA-N", "SMILES:C[C@@H]1CCc2c(ccc(F)c2Br)N1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJHGZZZUYBQIE-ZETCQYMHSA-N", "SMILES:C[C@H]1CCc2c(ccc(F)c2Br)N1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPMSQHNRMMXSH-RXMQYKEDSA-N", "SMILES:C[C@@H]1CCc2c(cc(Br)c(F)c2Br)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPMSQHNRMMXSH-YFKPBYRVSA-N", "SMILES:C[C@H]1CCc2c(cc(Br)c(F)c2Br)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSQMKXWQOPPRS-NTEUORMPSA-N", "SMILES:Cn1cc(/C=C2\\CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGVVMUDYCUDFM-VMKNJNNYSA-N", "SMILES:C=CC(=O)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=C)[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMKRRGYTONKLW-FOWSJJJVSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCC(=O)/C=C/C)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYVVTLJQRFIYLP-KHLKZTOGSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCC(=O)C#C/C=C/C)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXEUFUPQFMVYDT-SVJWBRFGSA-N", "SMILES:C=C1[C@H](O)CC(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)C(=O)/C=C/C=C/C)CC[C@@H]23)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOXWYMQYSSZYNQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)[nH]3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVGVUCXMUXZTG-MWLLWXECSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC#C[C@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEJOPZILHCUNGU-LLVKDONJSA-N", "SMILES:CC(=O)Nc1ccc(O[C@H](C)c2ccccc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEJOPZILHCUNGU-NSHDSACASA-N", "SMILES:CC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJVHUIVYWHXJDS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OC(C)C(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEJMKCDNBGTKL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OC(C)C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFKDWESICZADKT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OC2CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFOTXJLULZKSJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(C)=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZAACXTDLJTPM-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXUZHUSTJPYAMG-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZZKOBMLGFVSB-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)NCCOCCOCCNC(=O)NCC(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKRUEIOMTZOPQY-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)NCCOCCOCCNC(=O)NCC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMXBPUOBUMKCJG-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTSGSTWZHLDKNP-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)NCCOCCOCCNC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONXBVBEJBLOBN-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)NCCCN(C)CCCNC(=O)NCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)NC4CCN(CCOC(=O)c5cc(Cl)c(N)cc5OC)CC4)nn3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBLSTYGLTZASE-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)NCCCN(CCCCN(CCCNC(=O)NCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)NC4CCN(CCOC(=O)c5cc(Cl)c(N)cc5OC)CC4)nn3)CCCNC(=O)NCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)NC4CCN(CCOC(=O)c5cc(Cl)c(N)cc5OC)CC4)nn3)CCCNC(=O)NCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)NC4CCN(CCOC(=O)c5cc(Cl)c(N)cc5OC)CC4)nn3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74656", "category": ["biolink:ChemicalEntity"], "name": "REL-CISAPRIDE", "xref": ["InChIKey:DCSUBABJRXZOMT-RBBKRZOGSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVFIAQAAZUEPPE-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTGXFECGBWGZIS-UHFFFAOYSA-N", "SMILES:CCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSGBCUXLRMTPF-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMZGIYFMXSEHPS-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(SC)cc(-c2ccc(C)cc2)c2c1-c1cn(-c3ccccc3)nc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULEJGXIKBFHUOY-PIQPXYRBSA-N", "SMILES:Oc1ccc(-c2oc3cc(O)cc4c3c2-c2cc(O)cc3c2[C@H](c2cc(O)cc5c2[C@@H]4[C@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O3)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4164543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXNPOOYVRZJQPJ-DGPALRBDSA-N", "SMILES:COc1cc(O)c([C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)c(O)c2)c2oc(-c3ccc(O)cc3)cc(=O)c12"]}
{"name": "Cystathionine beta-synthase", "xref": ["CHEMBL.TARGET:CHEMBL3399911"], "id": "UniProtKB:P35520", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGZWXIAHJKVAH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL220745", "category": ["biolink:ChemicalEntity"], "name": "PODOCARPUSFLAVONE A", "xref": ["InChIKey:RBTRUVNXLDXHBJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4O)c3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1172216", "category": ["biolink:ChemicalEntity"], "name": "SIKOKIANIN C", "xref": ["InChIKey:QOPUSVUZHPIYER-TUXGATLDSA-N", "SMILES:COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1208973", "category": ["biolink:ChemicalEntity"], "name": "CUPRESSUFLAVONE", "xref": ["InChIKey:LADPNODMUXOPRG-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL65320", "category": ["biolink:ChemicalEntity"], "name": "AGATHISFLAVONE", "xref": ["InChIKey:BACLASYRJRZXMY-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFIQXUYXVYYERO-ALCCZGGFSA-N", "SMILES:Oc1cc(O)cc(CCC/C=C\\CCCCCCCCCc2cc(O)cc(O)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4167976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMOHJUXDKSMQOG-CPUVFPGGSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C\\c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)/C=C\\c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL286494", "category": ["biolink:ChemicalEntity"], "name": "HYPERICIN", "xref": ["InChIKey:BTXNYTINYBABQR-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65"], "synonym": ["Hypericin", "Hypericine", "Hypericina", "Hypericin", "Hipericin", "Hypericin", "Hypericum red", "NSC-407313", "SGX-301", "SGX301", "Hypericin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL303062", "category": ["biolink:ChemicalEntity"], "name": "SECURININE", "xref": ["InChIKey:SWZMSZQQJRKFBP-WZRBSPASSA-N", "SMILES:O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31"], "synonym": ["Securinine", "Securinina", "(-)-securinine", "L-securinine", "Securinan-11-one", "Securinin", "NSC-107413"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4168359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGKJIYCAGSDOFP-VQTPWUBHSA-N", "SMILES:CCCN(C(=O)c1ccccc1C(=O)N(CCC)[C@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDZOVDNKFFYFEO-VQTPWUBHSA-N", "SMILES:CCCN(C(=O)c1cccc(C(=O)N(CCC)[C@H]2CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)c1)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQNYAGDNNVJAR-VQTPWUBHSA-N", "SMILES:CCCN(C(=O)c1ccc(C(=O)N(CCC)[C@H]2CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)cc1)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPMZUJCLWRTSG-OZPYDKDNSA-N", "SMILES:CCCN(C(=O)Cc1ccc(CC(=O)N(CCC)[C@H]2CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)cc1)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBEOPPQCUUGJCG-OZPYDKDNSA-N", "SMILES:CCCN(C(=O)Cc1cccc(CC(=O)N(CCC)[C@H]2CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)c1)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBQNWAOTBQKZEA-OZPYDKDNSA-N", "SMILES:CCCN(C(=O)Cc1ccccc1CC(=O)N(CCC)[C@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGWTJWTUSWYBI-ULXVUGSDSA-N", "SMILES:CCCN(C(=O)[C@H]1CCCC[C@H]1C(=O)N(CCC)[C@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMPZJGXVWGHDV-ZFZAKILISA-N", "SMILES:CCCN(C(=O)[C@H]1CCC[C@@H](C(=O)N(CCC)[C@H]2CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)C1)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBHDINLWINCCL-PSYZJZHWSA-N", "SMILES:CCCN(C(=O)[C@H]1CC[C@H](C(=O)N(CCC)[C@H]2CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)CC1)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRZDGOKYUUYET-FVIKRGMNSA-N", "SMILES:CCCN(C(=O)CCCC(=O)N(CCC)[C@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULMCFUMBXIABJ-GJPOJAMWSA-N", "SMILES:CCCN(C(=O)c1ccccc1)[C@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWXYLJBMJWJCB-XBCJKLACSA-N", "SMILES:CCCN(C(=O)CCCCC(=O)N(CCC)[C@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13)[C@@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N1CCCC[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55", "category": ["biolink:ChemicalEntity"], "name": "PENTAMIDINE", "xref": ["InChIKey:XDRYMKDFEDOLFX-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1"], "synonym": ["Pentamidine", "Pentamidina", "Mp-601205", "Pentam 300", "Pentamidine", "GNF-Pf-3680", "MB 800 FREE BASE", "MB-800", "MB-800 (AS ISETHIONATE)", "MB-800 FREE BASE", "NSC-9921", "RP 2512 FREE BASE", "RP-2512", "RP-2512 FREE BASE", "Pentacarinat"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL25105", "category": ["biolink:ChemicalEntity"], "name": "HEXAMIDINE", "xref": ["InChIKey:OQLKNTOKMBVBKV-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1"], "synonym": ["Hexamidine", "Hexamidine", "Hexamidine", "Hexamidina"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3245413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADWRMXDSAGCDJ-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(OCCCCCCCCCCOc2ccc(C(=N)N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFEDFUUFQQVEMJ-UHFFFAOYSA-N", "SMILES:Brc1ccc(COc2cccc(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYCYRFSDPSJVJO-UHFFFAOYSA-N", "SMILES:O=Cc1cccc(OCc2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLAMSZEEYMKPM-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(c3nc(Cl)nc(Nc4cccc(C(F)(F)F)c4)n3)CC2)n2ncnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMGUHMAWJMHLB-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(Cl)nc(N3CCN(c4cc(C)nc5ncnn45)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AERSFHZMABGSRE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Cc2nc3ccccc3n2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCEOJUDLCKHTGS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Cc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMWPHYXUBSZKS-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCWNGPDJDFJTDP-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc3ccccc3c(-c3ccccc3)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFYJUMHMAUGAQV-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18772", "category": ["biolink:ChemicalEntity"], "name": "QUIPAZINE", "xref": ["InChIKey:XRXDAJYKGWNHTQ-UHFFFAOYSA-N", "SMILES:c1ccc2nc(N3CCNCC3)ccc2c1"], "synonym": ["Quipazine", "Quipazina"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4164703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKNSMKSPCIQBX-VMPITWQZSA-N", "SMILES:N#C/C(=C\\c1cnc(N)nc1N)c1nc2ccccc2s1"]}
{"name": "Beta-lactamase", "xref": ["CHEMBL.TARGET:CHEMBL3885665"], "id": "UniProtKB:Q53TY8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPCRDZMDBCBNJO-NTEUORMPSA-N", "SMILES:N#C/C(=C\\c1cnc(Nc2ccc(Cl)cc2)nc1)c1nc2ccccc2[nH]1"]}
{"name": "Beta-lactamase", "xref": ["CHEMBL.TARGET:CHEMBL4114"], "id": "UniProtKB:P00807", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"name": "Beta-lactamase", "xref": ["CHEMBL.TARGET:CHEMBL1293244"], "id": "UniProtKB:Q79MP6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCDADOMPEINVRO-UHFFFAOYSA-N", "SMILES:CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(N2CCCC2)c2ccccc2n(C)c1=O"]}
{"name": "Phosphatidylcholine:ceramide cholinephosphotransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL3112379"], "id": "UniProtKB:Q8NHU3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDQOICVJUDEXEQ-UHFFFAOYSA-N", "SMILES:CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(OCCCC2CCN(C(=O)OC3(C)CC3)CC2)c2ccccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUYFLFXKOJQRV-UHFFFAOYSA-N", "SMILES:CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(OCc2ccnc(-c3ccccc3)c2)c2ccccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNDMOIXFFVWMZ-LPYMAVHISA-N", "SMILES:S=C(N/N=C/c1c[nH]c2ccccc12)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYFPNCYMZWMPEG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(-c3cnc(-c4ccc(O)c(O)c4)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZLLAUVUPXQDEY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Oc2ccc(-c3cnc(-c4ccc(O)c(O)c4)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIDQLYMFYPKAE-UHFFFAOYSA-N", "SMILES:CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(C(=O)NCc2ccc(OC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEYOTAAYXGTYTE-UHFFFAOYSA-N", "SMILES:Cl.O=C(Nc1nc2ccccc2[nH]1)c1sc2cc(C3=NCCN3)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMWDZQOVYEZON-UHFFFAOYSA-N", "SMILES:Cl.O=C(Nc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1sc2cc(C3=NCCN3)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXATZNLICBCHV-UHFFFAOYSA-N", "SMILES:Cl.Cl.O=C(Nc1nc2ccc(C3=NCCN3)cc2[nH]1)c1sc2cc(C3=NCCN3)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABJQKDJOYSQVFX-UHFFFAOYSA-N", "SMILES:Nc1ccc(O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEKUXLUOKFSMRO-UHFFFAOYSA-N", "SMILES:Cl.NNc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFPHBVGCFYCNW-UHFFFAOYSA-N", "SMILES:Nc1cccc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4159902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCIFJDGSMDSLLM-UHFFFAOYSA-N", "SMILES:Nc1ccc(O)c2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUIRNGLMBHIITH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUMVMXXQIQAKP-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2ccccc2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQJOWVRCXFIBM-UHFFFAOYSA-N", "SMILES:COc1ccc(N)c2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLVDCGIVLSMFEC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(O)c2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUGTBYIGIITEH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)Nc1ccc(O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXXPSYHLAIXNJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc(O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIHVEMGCWOYDLG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZYVUYRZKKNESR-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIELSOYMYOVYAH-YHYXMXQVSA-N", "SMILES:NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGZIKCVDIRZRX-UHFFFAOYSA-N", "SMILES:Cc1cccnc1NC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKGVYYUEQPQPO-UHFFFAOYSA-N", "SMILES:Cc1cccnc1NC(=O)C(C)c1ccc(CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGMLVCELYJTDK-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ncccc1Cl)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIIKNDIDIVAIBV-UHFFFAOYSA-N", "SMILES:Cc1cccnc1NC(=O)C(C)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUFYPQPOCANAFY-UHFFFAOYSA-N", "SMILES:OCc1cc2cc3ccccc3cc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222250", "category": ["biolink:ChemicalEntity"], "name": "DEXTROSE", "xref": ["InChIKey:WQZGKKKJIJFFOK-GASJEMHNSA-N", "SMILES:OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Glucose", "Glucose", "Dextrose", "Anhydrous dextrose", "Anhydrous glucose", "D-glucose, anhydrous", "Dextrose", "Dextrose anhydrous", "Dextrose solution", "Dextrose, anhydrous", "Dextrose, unspecified", "Dextrose, unspecified form", "Glucose anhydrous", "Glucose injection", "Glucose, alpha-d-", "Glucose, anhydrous", "Glucose, unspecified form", "Glucosum, anhydrous", "Grape sugar", "Liquid glucose", "D5W", "NSC-406891", "Capd", "Clintec", "Dextro energy", "Dextrogel", "Dextrose component of navstel", "Gambrosol", "Gsf-syrup", "Rapilose", "Yourgluco", "Dextrose"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4163044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXIUZJPYFRWHY-XUAKBXRPSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DROWJHQANCPGEH-VSWJUTGMSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)NCCCCC(=O)OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@H]3O)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBGOMOIZYKKPOK-RSPWDIESSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)NCCCCCCCCCCC(=O)OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@H]3O)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYIMXLVLIXIOLN-UHFFFAOYSA-N", "SMILES:CCCCC(=O)NC(=S)Nc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKTMIPAPOLDOQT-QAYSIJLNSA-N", "SMILES:CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4163078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCUETVFTFPUEO-CHLGYZHBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)OC(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC"], "chembl_natural_product": true}
{"name": "Cathepsin D", "xref": ["CHEMBL.TARGET:CHEMBL2581"], "id": "UniProtKB:P07339", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRAVCRYIDZOXGD-YACSFGTRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4160632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIUHSHXJFPMLPM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVFBZTABCOVCDI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXKBZVUWMHXAS-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1cc2c(cc1F)CC1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=S)N1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGITSKDRKJXDT-WOJGMQOQSA-N", "SMILES:C/C(=N\\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUURTZIEGFZAG-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNQYGMOUFHXINE-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPAIEMOLHWMMJ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBUGKYSKAOWZSU-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAVVFLVUJZDHM-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGGRSXXESYAXDR-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQZVVMULRZIYRH-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)Cc4ccccc4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZFLVVAQQZKRPU-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMODBIQBJQUOM-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)C(C)c4ccccc4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPULICFDXIMKFZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMULVPZSWWVSGQ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)c4ccc(I)cc4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHYIIODGHKXNV-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHLPEDAZUPDGI-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)Cc4ccc(OCc5ccccc5)cc4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXGMLJIZBIZLQP-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)CCCCCCCCCCC(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3132936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVKPYOGSVGSSP-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3c(cc12)C(=O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAIMKAKOSPTFCI-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(cc12)C(=O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3760034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXEGKIKGMNSJTO-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(cc2c1N)CCCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZIYMJMOLPSAC-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCCCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGBNYEPHVFGVAB-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cccc1NC(=O)c1sc2nc3c(cc2c1N)CCCCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1552485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPZCYDCUUJJHOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCDMRCNCYGRZRZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccc(Br)cc34)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKSHJQVECAOPD-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAKXCLPXBULDBO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]cc(C(c3cc4c([nH]c5ccccc54)c(-c4ccc(F)cc4)n3)c3c[nH]c4ccccc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIGQRFHVULMYOM-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)c(CN(C)C)c(O)c(c1-4)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFZWAZHKLOYFIE-HNNXBMFYSA-N", "SMILES:CCOC(=O)[C@@H]1CCCN1Cc1c(O)c2c3c(c1O)C(=O)C(C)(C)c1cc(O)c4c(C)cc(O)c(c4c1-3)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHDSBCGPZWBFM-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)c(CN3CCC(N)CC3)c(O)c(c1-4)C2=O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFRIHUQGAFZMCI-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)c(CN(CC(=O)O)CC(=O)O)c(O)c(c1-4)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZSQWQPBWRIAQ-LSDHHAIUSA-N", "SMILES:CC(C)=CCC[C@@](C)(O)[C@H]1CC=C(C)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4162447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJWAQBNFLHQPY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Oc1ccc(CCc2cc(OC(=O)C=C)cc(OC(=O)C=C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKMFUUKJEUGCRA-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(CCc2cc(OCC=C)cc(OCC=C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYMUKYPQJSWTED-UHFFFAOYSA-N", "SMILES:CCCC(=O)Oc1ccc(CCc2cc(OC(=O)CCC)cc(OC(=O)CCC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPHMYVLMFULHT-LJQANCHMSA-N", "SMILES:O=C(NCc1ccncc1)[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYDBQQIQAPGMH-WNWYZQFHSA-N", "SMILES:CO[C@H]1[C@H](O)[C@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@H](O)C2)O[C@@H](C)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4163970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMINJRRFMVFFIU-UHFFFAOYSA-N", "SMILES:CCn1ccc2c3c(=O)cc(-c4ccc5c(c4)OCO5)[nH]c3ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRRZLMNKBKPOQ-MDZDMXLPSA-N", "SMILES:Cc1ncsc1/C=C/C(=O)NC(Cc1ccc(O)cc1)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRTVEUEGGIWQD-FWZVJVHHSA-N", "SMILES:CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAZXVJADKYEIND-DWNCYMOLSA-N", "SMILES:C[C@H](O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUCVRBDFZBQLRI-XGXDXJLVSA-N", "SMILES:CC(O)[C@@]12C[C@@H]1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFCWXKRLURRQAB-JBBVDWIHSA-N", "SMILES:C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKGDMCWZPSGQK-OYKKKHCWSA-N", "SMILES:O=C1S/C(=C\\c2ccc(OCC(O)CNCc3ccccn3)cc2)C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLEPXSVEICYPSZ-MBALSZOMSA-N", "SMILES:O=C(/C=C/c1ccccc1)C(Cc1ccccc1)(Cc1ccccc1)C(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFMVFERROVZQCG-UHFFFAOYSA-N", "SMILES:CC(C(=O)CCc1ccccc1)C(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOXMKBZPERXHFN-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)C(Cc1ccccc1)C(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHOQMYYLZISNFF-KQQUZDAGSA-N", "SMILES:COc1cc(/C=C/C(=O)CC(=O)/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVQMMMJUXPRROO-KQQUZDAGSA-N", "SMILES:COc1ccc(OC)c(/C=C/C(=O)CC(=O)/C=C/c2cc(OC)ccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMDKHQKBIPMEDA-NXZHAISVSA-N", "SMILES:COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJHJHWGIOGUSG-WGDLNXRISA-N", "SMILES:COc1cccc(/C=C/C(=O)CC(=O)/C=C/c2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOLIEXFFOBCSM-LQIBPGRFSA-N", "SMILES:COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISAROGDXOCRUQJ-FIFLTTCUSA-N", "SMILES:O=C(/C=C/c1cccc(O)c1)CC(=O)/C=C/c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEUYEDUJRJINM-FCXRPNKRSA-N", "SMILES:COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC)c(O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRBAIQZHWSYQRB-UTLPMFLDSA-N", "SMILES:CCc1c(/C=C/C(=O)/C=C/c2ccc(OC)c(OC)c2CC)ccc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZBIBYIDJNVAOQ-WGDLNXRISA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)/C=C/c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMKGGPCROCCUDY-PHEQNACWSA-N", "SMILES:O=C(/C=C/c1ccccc1)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3105275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHAPKOWNOKGFV-KLCVKJMQSA-N", "SMILES:COc1cccc(/C=C2\\CCC/C(=C\\c3cccc(OC)c3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRADUQJYBJJER-DCIPZJNNSA-N", "SMILES:O=C1/C(=C/c2c(Cl)cccc2Cl)CCC/C1=C\\c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2297367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHBXHLSTIOLHQI-GONBZBRSSA-N", "SMILES:CN1C/C(=C\\c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDPLZDMWCFBFQ-CZCYGEDCSA-N", "SMILES:CN1C/C(=C\\c2ccc(Br)cc2)C(=O)/C(=C/c2cccc(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYZZEPNCAZGQDV-GONBZBRSSA-N", "SMILES:CN1C/C(=C\\c2cccc(C(F)(F)F)c2)C(=O)/C(=C/c2cccc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTHRALZSQGTXLN-KOJZRSEWSA-N", "SMILES:CC(C)c1ccc(/C=C2\\CN(C)C/C(=C\\c3ccc(C(C)C)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCYAHYKCCDYMH-ZIOPAAQOSA-N", "SMILES:Cc1cccc(/C=C2\\CN(C)C/C(=C\\c3cccc(C)c3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2002306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMQUJBYFGUNWFO-ZZXKWVIFSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOLHVAMAJVIIF-VQHVLOKHSA-N", "SMILES:COc1cc(C(=O)/C=C/c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL168777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFLGEZGYYCQWRT-DHZHZOJOSA-N", "SMILES:O=C(O)c1ccc(/C=C/C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKFQUBWPBKVPF-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCCN3C(=O)CCSC3c3cccs3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSJRFBFKHZOXMW-ORZBULNSSA-N", "SMILES:CCOC(=O)/C(C)=C/NC(=O)[C@H](O)C(C)(C)CO"]}
{"name": "Pantothenate kinase, putative", "synonym": ["Pantothenate kinase 1, putative"], "xref": ["CHEMBL.TARGET:CHEMBL4295621"], "id": "UniProtKB:Q8ILP4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHGRZXGLNTOPY-ZJELKQJVSA-N", "SMILES:COC(=O)/C=C/NC(=O)[C@H](O)C(C)(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODYIAANLFXPCH-CYNONHLPSA-N", "SMILES:CCOC(=O)/C=C/NC(=O)[C@H](O)C(C)(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKGLWLFWMUTOO-FGEFZZPRSA-N", "SMILES:CC(C)(C)OC(=O)/C=C/NC(=O)[C@H](O)C(C)(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHUCWSWVJVQJOT-UHFFFAOYSA-N", "SMILES:Cl.NCCCNCCCNCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCCCCC(=O)NO)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZXVVJIOYLECRG-UHFFFAOYSA-N", "SMILES:Cl.NCCCCNCCCCNCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCCCCC(=O)NO)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGABOZPQOOZAOI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(CC(=O)O)cc2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJVIRPPTOCVAK-OUTSHDOLSA-N", "SMILES:COc1cc([C@@H](O)[C@@H](CCCc2ccccc2)Cc2ccc(CC(=O)O)cc2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUTQASIWNBKTDJ-UHFFFAOYSA-N", "SMILES:Cc1nnn2c1-c1ccc(-c3ccc(N)nc3)cc1N(c1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2132936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVXATUJJDPFDM-UHFFFAOYSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXAVKZXYZJJKO-UHFFFAOYSA-N", "SMILES:Cc1nnn2c1-c1ccc(-c3cc[nH]n3)cc1N(c1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWGHGCETSIPHS-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBSPLYSCIXZNC-OAQYLSRUSA-N", "SMILES:C=Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJRUWJLIWPWNRQ-OAQYLSRUSA-N", "SMILES:Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUIJYGWFILSMA-HXUWFJFHSA-N", "SMILES:Cc1cc(F)cnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMZZXDIGNVESH-LJQANCHMSA-N", "SMILES:Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSXPBKNDYNSBO-QGZVFWFLSA-N", "SMILES:NCCCCN(Cc1cscn1)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHOKHZODTUMSC-QGZVFWFLSA-N", "SMILES:NCCCCN(Cc1nccs1)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRWTHLSUFEQRD-GOSISDBHSA-N", "SMILES:Cc1nc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAXJFYBVOVQKU-OAQYLSRUSA-N", "SMILES:NCCCCN(Cc1ncccc1C1CC1)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMQMHHRBCSYHSH-GOSISDBHSA-N", "SMILES:NCCCCN(Cc1ncccc1C(F)(F)F)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRXPTIYEBFHHHN-HXUWFJFHSA-N", "SMILES:NCCCCN(Cc1ccc(C(F)(F)F)cn1)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSGXRLWGAKPKPI-LJQANCHMSA-N", "SMILES:COc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNLQQOYGGKPAT-HXUWFJFHSA-N", "SMILES:COc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDTADAMMKMQTLS-GOSISDBHSA-N", "SMILES:NCCCCN(Cc1ncccc1F)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVRAAMPKCGGNMQ-HXUWFJFHSA-N", "SMILES:NCCCCN(Cc1ccc(F)cn1)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVPGEJCRVWXDS-GOSISDBHSA-N", "SMILES:NCCCCN(Cc1ncccc1Cl)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOSTHWRSSVYQA-LJQANCHMSA-N", "SMILES:NCCCCN(Cc1cc(Cl)ccn1)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVVLACOQRQXSW-HXUWFJFHSA-N", "SMILES:NCCCCN(Cc1ccc(Cl)cn1)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQUJESYESKGUPP-HXUWFJFHSA-N", "SMILES:Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOTVILYGDDUMHZ-OAQYLSRUSA-N", "SMILES:Cc1ccnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPFGCUHJPFUDG-OAQYLSRUSA-N", "SMILES:Cc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTFQBLYWCPUFC-OAQYLSRUSA-N", "SMILES:Cc1cccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPMIJKGKHDSQV-XMMPIXPASA-N", "SMILES:NCCCCN(Cc1cc2ccccc2cn1)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSHFPQAQGETQQ-JOCHJYFZSA-N", "SMILES:NCCCCN(Cc1nccc2ccccc12)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESBLDGGOJIGJO-HSZRJFAPSA-N", "SMILES:NCCCCN(Cc1ccc2ccccc2n1)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRURFSSWVNTAEK-HXUWFJFHSA-N", "SMILES:NCCCCN(Cc1ccccn1)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTOPELDEHJBGPW-GHTZIAJQSA-N", "SMILES:Cc1cccnc1[C@H](C)N(CCCCN)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVDBVDCSZIDCF-GHTZIAJQSA-N", "SMILES:Cc1ccc([C@H](C)N(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPBMCYDMSNDHL-FXAWDEMLSA-N", "SMILES:C[C@@H](c1ccccn1)N(CCCCN)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULIGFJJHXWMCU-PKTZIBPZSA-N", "SMILES:Cc1cnc2c(c1)CCC[C@@H]2N(CCCCN)C[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDOOUAVJKFFGB-UXHICEINSA-N", "SMILES:NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCOc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCKNKHATQGHEV-YADHBBJMSA-N", "SMILES:NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTLKKSKCYMNAA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCN(Cc1ccc(F)cc1)c1ncc(C(=O)NCCCn2ccnc2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVSKBDEAXWXGR-UHFFFAOYSA-N", "SMILES:CC(C)CCN(CCCCCCC(=O)NO)c1ncc(C(=O)NCCCn2ccnc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQFATZDXIHVJSW-KDURUIRLSA-N", "SMILES:O=C(O)[C@H]1CC[C@@H](Oc2nc3c(F)c(-c4ccc(-c5ccccc5)cc4)c(F)cc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371358", "category": ["biolink:ChemicalEntity"], "name": "GOIAZENSOLIDE", "xref": ["InChIKey:HTMCLLSRQWRPTN-OKMRAYSCSA-N", "SMILES:C=C(C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)/C(CO)=C\\[C@H]2OC(=O)C(=C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4159192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYBHZNMPMHOBAR-MFRWKCHVSA-N", "SMILES:C=C(C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)/C(C)=C\\[C@H]2OC(=O)C(=C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4168591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDDPNVGDBMWKG-KPIDINGZSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\\C(=O)[C@](C)(OC(C)=O)C[C@H](OC(=O)/C(C)=C\\C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4160672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYCCWHAEXKHLK-YCCPVQIHSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@H](C)CCC(=O)[C@](C)(OC(C)=O)C[C@H](OC(=O)/C(C)=C\\C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4165722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQDAEGYLRVQRKN-GFYLYECJSA-N", "SMILES:C=C1C(=O)[C@H]2C3=C(CC[C@H]4C(C)(C)CCC[C@]34C)C[C@@H]1[C@H]2O"], "chembl_natural_product": true}
{"name": "Peroxiredoxin-2", "xref": ["CHEMBL.TARGET:CHEMBL4295744"], "id": "UniProtKB:P32119", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPWZZQRGDTWTN-DQXGFVRASA-N", "SMILES:C=C1C(=O)[C@H]2C3=C(CC[C@H]4C(C)(C)CCC[C@]34C)C[C@@H]1[C@@H]2OC(=O)CCOCCOCCOCCCNC(=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOIQFCUWOYAEEG-AOSUIOFGSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\\C)[C@@](C)(O)[C@@]13O[C@@H]1[C@@H]1O[C@]1(C)[C@H]23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4160171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWLUMUGHLSXLNA-UHFFFAOYSA-N", "SMILES:Cc1nn2c(-c3c(C)nn(C)c3-c3ccc(C(F)(F)F)cc3)nc(C)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZAVDSHZLZPBFD-HKBQPEDESA-N", "SMILES:Cc1ccc2nc([C@H](CC3CCN(C(=O)C(C)C)CC3)N3C(=O)CN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJYAHYPXYXUMQ-DKGWXTDUSA-N", "SMILES:FC1(F)CCC(NC/C=C\\CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDOTRDVQFMFJR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC(C)C)c(C#N)c3)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYXIDCLTNIMPSC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3C(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERVNKULTWJINM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC(C)c2cnn(C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1"]}
{"name": "ATP-sensitive inward rectifier potassium channel 1", "xref": ["CHEMBL.TARGET:CHEMBL1293292"], "id": "UniProtKB:P48048", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUDGKQASYWREU-FCEKVYKBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19611", "category": ["biolink:ChemicalEntity"], "name": "ILOMASTAT", "xref": ["InChIKey:NITYDPDXAAFEIT-DYVFJYSZSA-N", "SMILES:CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C"], "synonym": ["Ilomastat", "Galardin", "Gm6001", "Ilomastat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4168719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURWEPSIRYVMGG-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(C2(C(F)(F)F)N=N2)cc1)C1CCN(c2nc(Cl)nc(NCCc3ccc(S(N)(=O)=O)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWKOJICMDLMAPZ-BEPIMWFOSA-N", "SMILES:C#CCN(Cc1ccc(C2(C(F)(F)F)N=N2)cc1)C1CCN(c2nc(N3CCN(C(=O)[C@H](Cc4ccc(O)cc4)n4cc([C@@H](N)[C@@H](C)CC)nn4)CC3)nc(N3CCN(C(=O)[C@H](Cc4ccc(O)cc4)n4cc([C@@H](N)[C@@H](C)CC)nn4)CC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCFDPUKGKJIML-NRFANRHFSA-N", "SMILES:N=C(N)Nc1cccc(C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOYOUBMGSIHZJF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALSUKQEJNJIJI-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2(C1)CN(C(=O)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLBUZTZXRPRDNX-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGMDXYVOQGGEII-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLOZBVNPDZOOFU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KENJNQGKULJCIX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1734714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVUAZFKFLYTZMI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NC2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLXCWOOGMPDRL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTPPKOMRXAHSDM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)cc(F)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNLRODYLMRKKW-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJWGDJRYCLQCB-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPJPWPLAOZMBR-UHFFFAOYSA-N", "SMILES:CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZGLOVJKCSHTH-HNNXBMFYSA-N", "SMILES:Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTALMLXGKLRQBE-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAHLQLRLLHSCPU-UHFFFAOYSA-N", "SMILES:CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEDXNLAVWHQAJX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3(C)COC3)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOFMQYIALBSDFI-TXEJJXNPSA-N", "SMILES:COc1cc(-c2cnc3c(N4C[C@@H](C)O[C@@H](C)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALVVXSSFOOYRDP-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)NN1c2ccccc2Sc2ccccc21"]}
{"name": "FI18190p1", "synonym": ["Frequenin-2"], "xref": ["CHEMBL.TARGET:CHEMBL4295984"], "id": "UniProtKB:Q9VWX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKSQWVMTWOYNDS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCC(=O)NC(=O)Nc3ccccn3)nc(Nc3cccc(Cl)c3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOGNLHVMCQMHV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCC(=O)NC(=O)Nc3ccccc3)nc(Nc3cccc(Cl)c3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBQYKIRSYKPKJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCC(=O)NC(=O)Nc3ccccn3)nc(Nc3ccc(Br)cc3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNRKBDEFHTOLI-IUEZVBNUSA-N", "SMILES:CC[C@H](C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4168948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBGDRJUWRFEDQ-VSERBBSRSA-N", "SMILES:CC[C@H](C)[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4174297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMRBQCVOQBYQU-BANKALSUSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4163618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUUZXYIURFEAIK-WJUYPRDGSA-N", "SMILES:CC[C@H](C)[C@@H](OC(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4161021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBGDRJUWRFEDQ-QPAOXQKGSA-N", "SMILES:CC[C@H](C)[C@@H](OC(=O)/C=C\\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4165525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKGPNURNPPOXTJ-GUBAZUDTSA-N", "SMILES:CC[C@H](C)[C@@H](OC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFUJENNOOPDNPH-GUBAZUDTSA-N", "SMILES:CC[C@H](C)[C@@H](OC(=O)C#Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOZAGZOWUEXKO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)cc1N1CCCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVQNAJUSQIGOFZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc(OC)c3c1OCO3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFMWDPARBLPTN-LDADJPATSA-N", "SMILES:O=C(Cc1ccc(F)cc1)Nc1ccc(CC2=CC(=O)O/C2=C/Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXQJVLYHYGMFMX-SFRRXYARSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1ccc(CC2=CC(=O)O/C2=C/Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRLIJDGVRXVHQD-UVMPBBQUSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAKSTNPCHNFJFI-IPFQDVGCSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJPPPBOKXDWNK-UVLXDEKHSA-N", "SMILES:O=C(CCC1CCCC1)NC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVPFOBWIGFRKAS-OXMRTWMISA-N", "SMILES:O=C(/C=C/c1ccc(C(F)(F)F)cc1)NC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKEZDNFBBSMUAB-REBPDAGRSA-N", "SMILES:COc1ccc(Br)cc1/C=C/C(=O)NC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVXMUIQYYZDABT-LSMPXOGUSA-N", "SMILES:CC(C)=CCCC(C)CC(=O)NC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIIQNUSVGLUNJE-YQFWSFKMSA-N", "SMILES:O=C(CCCCC1CCCCC1)NC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFMFUGAHRAYJX-UHFFFAOYSA-N", "SMILES:CCc1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRNFAZUFBRBPAE-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cn2ccnnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGJNONELWVWIM-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cn3ccnnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMAOZFASXLEHKS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3nnccn3c2-c2ccc(OC(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEULABDZMQQVSQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3nnccn3c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFYOPBKPMGZLMN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3nnccn3c2-c2ccc(C)c([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHFDUJPQILQRAS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3nnccn3c2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPVPHXBQZYHTNV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3nnccn3c2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRUWFFPOIUGEMW-BJMABRHOSA-N", "SMILES:CN(C/C=C/C=C/c1ccc(C(F)(F)F)cc1F)Cc1ccc2c(c1)OCO2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWDFYACXBKYLJO-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKKHAAYGAKZSW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1N(CC(=O)Nc1cccc2c3ccccc3n(C)c12)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDGUEGWAZRMFC-UHFFFAOYSA-N", "SMILES:CCn1c2ccccc2c2cc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDISAAXLKZHMOG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQPPDKCYZMIFH-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1N(CC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRORUCKYMMNNB-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRIXJFUIIDOCNK-KAVGSWPWSA-N", "SMILES:O=C1/C(=C/c2ccccc2Br)CNC/C1=C\\c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWTGIYYLAPLYAR-UHFFFAOYSA-N", "SMILES:CCCCCCCCC(=O)c1cccc(O)c1-c1cc2c(C(=O)CCCCCCCC)cccc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4168177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKQFVOKSVRQZKX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(F)c(Cl)c3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYSIPJWEQHKPM-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)oc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYLNWVTWBTYTQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc(C)nc3oc(-c4ccccc4Cl)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCBBCHDTYVHNA-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCCCCSC(=S)N3CCCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQJDXYBWAAFSEZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)CCN2C(=O)C3C4c5ccccc5C(c5ccccc54)C3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNYPBICZIVDPPQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)CCN2C(=O)C3C4c5ccccc5C(c5ccccc54)C3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197589", "category": ["biolink:ChemicalEntity"], "name": "LG-190178", "xref": ["InChIKey:AIKLCYAFOOBGEV-UHFFFAOYSA-N", "SMILES:CCC(CC)(c1ccc(OCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUSZALGKSAWRL-UHFFFAOYSA-N", "SMILES:CCOC(=O)CSc1nc(Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)c(C#N)c(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNEBSXIACMMFKQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)CSc1nc(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)c(C#N)c(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWZIAHAQAFYJQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCCC(N)C(=O)NCCCNCCCCNCCCN.Cl.Cl.Cl.Cl"]}
{"name": "Putative amino acid permease/transporter", "xref": ["CHEMBL.TARGET:CHEMBL4295536"], "id": "UniProtKB:D5FGE8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5693"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFNCESDKTJOTTA-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.NCCCCNCCCCNCc1c2ccccc2cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMKJNUOLUJELSZ-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCCNCc1c2ccccc2cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKIZAFVIMHRRPF-UHFFFAOYSA-N", "SMILES:Fc1cccc(COc2ccc(Nc3ncnc4cc(OCCCN5CCOCC5)c(OCCCN5CCOCC5)cc34)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNDBFKFZOOWCV-UHFFFAOYSA-N", "SMILES:Cc1c(O)cc2oc3oc4ccccc4c3c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4176372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVHYJRPBSSMUDB-SRIVDKISSA-N", "SMILES:CC(=O)OC[C@@H]1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(CO)=C3C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4171782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQNAAOATYKCJA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSDKEGHHJAOTNT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226034", "category": ["biolink:ChemicalEntity"], "name": "TAMARIXETIN", "xref": ["InChIKey:FPLMIPQZHHQWHN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4163889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSXBOZNRPQEON-ONEGZZNKSA-N", "SMILES:COc1cc(C2Oc3c(OC)cc(/C=C/CO)cc3C2CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL512164", "category": ["biolink:ChemicalEntity"], "name": "ISOPIMARIC ACID", "xref": ["InChIKey:MXYATHGRPJZBNA-KRFUXDQASA-N", "SMILES:C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL12850", "category": ["biolink:ChemicalEntity"], "name": "DEHYDROABIETIC ACID", "xref": ["InChIKey:NFWKVWVWBFBAOV-MISYRCLQSA-N", "SMILES:CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1545045", "category": ["biolink:ChemicalEntity"], "name": "VALERENIC ACID", "xref": ["InChIKey:FEBNTWHYQKGEIQ-SUKRRCERSA-N", "SMILES:CC1=C2[C@H](/C=C(\\C)C(=O)O)CC[C@@H](C)[C@H]2CC1"], "chembl_natural_product": true}
{"name": "cAMP-dependent protein kinase catalytic subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4295732"], "id": "UniProtKB:P25321", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL343437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKDFSYRDWGXMGE-UHFFFAOYSA-N", "SMILES:CCCNCCNS(=O)(=O)c1cccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1318551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVFVCGFMNCYPV-LLVKDONJSA-N", "SMILES:C[C@@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4164765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYMSHJLROPBLLU-UHFFFAOYSA-N", "SMILES:CCCN(CCN)S(=O)(=O)c1cccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMACBYWWJKXPSU-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2NS(=O)(=O)c2ccc(C)cc2)cc1"]}
{"name": "Protein lin-28 homolog A", "xref": ["CHEMBL.TARGET:CHEMBL4295897"], "id": "UniProtKB:Q8K3Y3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSTUWDWGGWTMOI-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMVXQFEGNGWOA-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=O)ON3C(=O)C4CN(Cc5ccc(Br)cc5)CCN4C3=O)CC2)cc1"]}
{"name": "Palmitoleoyl-protein carboxylesterase NOTUM", "xref": ["CHEMBL.TARGET:CHEMBL3714531"], "id": "UniProtKB:Q6P988", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWSVOIEDVOEFH-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=O)ON3C(=O)C4CN(Cc5ccc(Cl)cc5)CCN4C3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFEZXASSRLZKNQ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=O)ON3C(=O)C4CN(Cc5ccccc5Cl)CCN4C3=O)CC2)cc1"]}
{"name": "Palmitoyl-protein thioesterase 1", "xref": ["CHEMBL.TARGET:CHEMBL2331051"], "id": "UniProtKB:P50897", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPZCETZTBBQBO-UHFFFAOYSA-N", "SMILES:O=C1C2CN(Cc3ccc(Cl)cc3)CCN2C(=O)N1OC(=O)N1CCOc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXGBBECNJOFZQY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)N1CCN2C(=O)N(OC(=O)N3CCOc4ccccc43)C(=O)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMNPINMXCWDGOP-UHFFFAOYSA-N", "SMILES:C#CCN1CCN(C(=O)ON2C(=O)C3CN(Cc4ccc(Cl)cc4)CCN3C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCPIEORRRSZLR-UHFFFAOYSA-N", "SMILES:S=C(NCCc1ccccc1)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBDLRFWZOITVME-UHFFFAOYSA-N", "SMILES:N=C1C2=C(NCCS2)C(=O)c2[nH]cc(CO)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4160862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQAPBWNHRFMWDN-UHFFFAOYSA-N", "SMILES:N=C1C2=C(NCC[S+]2[O-])C(=O)c2[nH]cc(CO)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL200622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSAQOINCGAULQ-QLTSDVKISA-N", "SMILES:CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CC/C4=N/O)c(-c3ccncc3)[nH]2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL64130", "category": ["biolink:ChemicalEntity"], "name": "NAPABUCASIN", "xref": ["InChIKey:DPHUWDIXHNQOSY-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O"], "synonym": ["Napabucasin", "Napabucasine", "Napabucasina", "Napabucasin", "2-acetylfuranonaphthoquinone", "2-acetylfuro-1,4-naphthoquinone", "Napabucasin", "BBI-608", "BBI608", "Napabucasin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4171066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZAAICVOLXFOE-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2c(o1)-c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJYCFNGLZRMAA-WDSKDSINSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCC1CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXGQJPIRSUOSOK-BQBZGAKWSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCC1CCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVSHHVBUFXVQV-YUMQZZPRSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCC1CCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSWJLRIKQYTFH-IUCAKERBSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCC1CCCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLILOIOKZOPYFJ-UWVGGRQHSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCC1CCCCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMWEHCJOIORDW-BQBZGAKWSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCc1ccsc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMKFNKYDQCSAJT-BQBZGAKWSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCc1cccs1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGIJRYSKDPIHTN-BQBZGAKWSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCc1ccoc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGTVOYHLSKZHI-BQBZGAKWSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCc1ccco1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNYCPKRZDPBQG-WHFBIAKZSA-N", "SMILES:C#CCO[C@H](C(=O)O)[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJIJGQSUYGWVGU-UHFFFAOYSA-N", "SMILES:Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c1[nH]c(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKDEMAUDZHYTM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c1[nH]c(=O)c1cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFUKFMDLRMNOJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c3ccc(F)cc3c(=O)n(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUFMZCVIZNOACI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNVQGFKKXYXIX-UTNMSYFBSA-N", "SMILES:C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)C1C/C=C(/C=O)CC(=O)OCc1cn(CC(=O)c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPKIVXKYMDKKG-SNQVRXDVSA-N", "SMILES:C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)C1C/C=C(/C=O)CC(=O)OCc1cn(CC(=O)c2ccc(C#N)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMODJNYTULVTCJ-HGXJMCTDSA-N", "SMILES:C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)C1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccccc2-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGTVMYPGJZJBD-DZWZLWQGSA-N", "SMILES:C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)C1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNNFJIWORWUWAG-KKRZVRPESA-N", "SMILES:C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)C1C/C=C(/C=O)CC(=O)OCc1cn(Cc2cc(OC)ccc2Br)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYJUPQUBVKLDQY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c(CO)nccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4173266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDQXPUBZWPOFIN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c(C)nc(CO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBYHLPRZRMTJO-MOVYNIQHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHKJLOOFODABJ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN(CC)CC)c3c(OC)cccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INFDRNPSISUGST-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN(CC)CC)c3cc(OC)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMFGCJWPFAWJQJ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCCCC3)c3cc(OC)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBWAOKZRJKTSZ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCCCCC3)c3cc(OC)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGSCFPDGTQAGJG-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN(CC)CC)c3ccc(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPGXCFLEPOTDQN-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCCCC3)c3ccc(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYBFXZADKVYHS-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCCCCC3)c3ccc(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDJLPEQJWHKEBM-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCc4cc(OC)c(OC)cc4C3)c3ccc(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUXBZLRWSUXXKG-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCCN(C)C)c3ccc(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRAPHEOULFXJRH-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCN(Cc4ccccc4)CC3)c3ccc(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNXZLNYHPLJODW-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCNCC3)c3ccc(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUHPYWZPEVNMCG-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCNCC3)c3cccc(OC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALYBLCPMCWTDM-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN(CC)CC)c3c(OC)cc(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTIUOGLXGCFRY-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCc4cc(OC)c(OC)cc4C3)c3c(OC)cc(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXHOMAHKDADGD-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN(CC)CC)c3cc(OC)c(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHUPGUSCOXVTFF-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCCCC3)c3cc(OC)c(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUPHAHUNOVWYAU-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCc4cc(OC)c(OC)cc4C3)c3cc(OC)c(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWIZECKOOPCKX-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN(CC)CC)c3cc(OC)cc(OC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJMANDMETRMHHL-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCCCC3)c3cc(OC)cc(OC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQDVTWCARXGCPI-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCCCCC3)c3cc(OC)cc(OC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMXDQRGFGIMMH-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCc4cc(OC)c(OC)cc4C3)c3cc(OC)cc(OC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORVCCAKFHFXAP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(-c3ccccc3)nc(Nc3cccc(C(F)(F)F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRFTZLPNSUWGW-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3cccnc3)nc3ccc([N+](=O)[O-])cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RREYFAKMGYIYMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNJFJGZOZGNML-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(-c3cccnc3)nc3ccc(N)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRUOHSHDMMUMEA-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTCWMHQXNRPEX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Nc3ccc(C#N)cc3)c3cc([N+](=O)[O-])ccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBOUBQCRPJUIU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Nc3cccc(F)c3)c3cc([N+](=O)[O-])ccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJXRXEUDXDEWOK-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3cccnc3)nc3ccc(N)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYEIFLLXRISVSV-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccc(N)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGZVBPWZXMQTO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(-c3cccc(C(F)(F)F)c3)nc(Nc3cccc(O)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGBGEUCXVKGQK-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLUECUVEMXFOZ-XGICHPGQSA-N", "SMILES:COc1ccc2c(c1)c(/C=C1\\SC(=O)NC1=O)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPCEGFPKMQCHL-YHYXMXQVSA-N", "SMILES:O=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSMJPOPBGCHPR-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3643445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNOSPNJMFDPDBU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUECEVFEHFYWQB-KNQAVFIVSA-N", "SMILES:CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113142", "category": ["biolink:ChemicalEntity"], "name": "ZM-241385", "xref": ["InChIKey:PWTBZOIUWZOPFT-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4167502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGDQUCQGDCWHAI-UHFFFAOYSA-N", "SMILES:C#CCN(CCCCCNc1nc(N)n2nc(-c3ccco3)nc2n1)C(=O)c1ccc(S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZIPWCFRXVNDNX-MGCOHNPYSA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1n[nH]cc1NC(=O)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL166444", "category": ["biolink:ChemicalEntity"], "name": "METRIBOLONE", "xref": ["InChIKey:CCCIJQPRIXGQOE-XWSJACJDSA-N", "SMILES:C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C"], "synonym": ["Metribolone", "Metribolona", "Methyltrienolone", "NSC-92858", "R 1881", "R-1881"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4172746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKBELPVQXHUBY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)c2sc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVQGEPAYBCRBS-UHFFFAOYSA-N", "SMILES:O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVIJYBFQLMPXOI-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)Nc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3986079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDBYVPTQWPRPA-ZWKOTPCHSA-N", "SMILES:CN1C(=O)[C@H]2CCC[C@H]2N(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJYWQSXTQZIHBX-UHFFFAOYSA-N", "SMILES:COc1ccc(N)cc1-c1cnc(N)c(C(=O)c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWMWKFIDRIEPP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)c2sc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc2N)cc1"]}
{"name": "Homeodomain-interacting protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5427"], "id": "UniProtKB:Q86Z02", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase 17B", "xref": ["CHEMBL.TARGET:CHEMBL3980"], "id": "UniProtKB:O94768", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCNQRWIELTSLI-UHFFFAOYSA-N", "SMILES:O=C1COCCN1c1ccc(Nc2nc(Cl)nc(N3CCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSTUIKLLVACSV-PUIZYEDGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSGXKLJCUOTPY-WCLCNARLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYYRNPIGDRRGLJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(Cl)cc3)nc(=O)[nH]2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPJRSKNMKEXQB-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)CCCn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQFYLDSRKLNVBI-UHFFFAOYSA-N", "SMILES:COc1cc(CCN(C)CCCn2c3ccccc3c3ccccc32)c(OC)cc1CCN(C)CCCn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWXLGYRQVNUQQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZCYRAQDBABOGP-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccccc2)nc2c(NC3CCCC3)ncnc21"]}
{"name": "Adenosine receptor A1", "xref": ["CHEMBL.TARGET:CHEMBL3688"], "id": "UniProtKB:Q60612", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKJQNCZEPLNJF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC(=O)NCCOCCOCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYMGZLUKTNXEMY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC(=O)NCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKPYTKNEFFAFOV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCOc1cc(C(=O)NO)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSHCHNUYFBSFIG-FEKMYJHPSA-N", "SMILES:Cc1c(Cl)c(=O)oc2cc(OCCn3cc(CO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@@]57OO6)nn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOBHDVAWTNEDQE-UZUQFWOOSA-N", "SMILES:COC(=O)N1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)[C@H](O)C(=O)[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZGNAZRFVZVYHM-DRDPLEBGSA-N", "SMILES:COC(=O)N1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1224773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGEWTDITEXRGCF-GCBPPVMSSA-N", "SMILES:COc1cc(/C=C2\\CN(C)C/C(=C\\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDESYCKIVOTMPG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMMUFXBGCRRXIW-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c1)C1=C(CCCC1=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRLZMLFUGGICGK-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CN(Cc2c(F)c(F)c(F)c(F)c2F)c2cccc(S(N)(=O)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBPXFZKFHDYEI-UHFFFAOYSA-N", "SMILES:CNC(=O)NNC(=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWZUEHZTBFYTG-UTLKBRERSA-N", "SMILES:CC(=N)NCc1cccc(CNC(=O)[C@@H]2CCCN2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNAUQMZRRFQTA-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(O)c(I)c(-n2cccc2)c2sc(N(CC)CC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOHBGVYDOOHUGI-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRKQCDPHCBWLP-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccncc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZKRCQWEIBROTA-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGKXYWJVIUVSZ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1C(=O)NC(c1c[nH]nc1-c1ccccc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSATRZGOSDEQF-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2c(Br)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQGSRGGNBZPOF-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2c1cccc2[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSPKOUUIWGJQI-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2c(Cl)cc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHEVMXGDRXPGRV-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)c2c(c1)C(=O)NC(c1c[nH]nc1-c1ccccc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWQOWVVLDIZMLE-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2c(Br)cc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLOPNNFVHBCMX-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2c(I)cc(I)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONJMAHAXVQZAGP-UHFFFAOYSA-N", "SMILES:Cc1cc(I)cc2c1NC(c1c[nH]nc1-c1ccccc1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKOFNQARVOSLSP-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTLDMMRGXSFGM-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2c(Br)cc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUZMCLIJFDEKAH-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOLOGDYNWABQY-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZSDSKLMDQCLD-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYAMESVICNFXKS-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMNXHLJZSKOSHM-UHFFFAOYSA-N", "SMILES:O=S1(=O)NC(c2c[nH]nc2-c2ccccc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFQLWAABHQEGQR-UHFFFAOYSA-N", "SMILES:O=S1(=O)NC(c2c[nH]nc2-c2ccc(Cl)cc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJZCCGRTWPTKC-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc2c(=O)[nH]c(-c3c[nH]nc3-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJPKSEZTECYQDX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2c[nH]nc2-c2ccccc2)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZFUDGUYXJACX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2nc(-c3c[nH]nc3-c3ccccc3)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXYPPNSFWHUEJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2c[nH]nc2-c2ccccc2)nc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQXZWLRAXGYSY-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cn(Cc3ccccc3)cn2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGBDKOBMVBRQHN-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cn(Cc3cccc(Cl)c3)cn2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPHYOIYDCJINJO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnc(C3NC(=O)c4ccccc4N3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVILXZFPNCVOBV-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cn2cnc(C3NC(=O)c4ccccc4N3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCBGDLCVRULHQK-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cn(Cc3ccc(Br)cc3)cn2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJDVTQDGPSNGA-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cn(Cc3ccc(Cl)cc3)cn2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPOPQUDOLCKCP-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cncn2Cc2ccc(Cl)cc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVYZMUNVOROJX-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cc(-c3ccccc3)c[nH]2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWTCNQGDRRRIPY-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]nc2-c2ccc(Cl)cc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMBTDVKDCOCSF-QGZVFWFLSA-N", "SMILES:Cc1cc(Cl)cc2c1N[C@@H](c1c[nH]nc1-c1ccccc1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMBTDVKDCOCSF-KRWDZBQOSA-N", "SMILES:Cc1cc(Cl)cc2c1N[C@H](c1c[nH]nc1-c1ccccc1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMBTDVKDCOCSF-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc2c1NC(c1c[nH]nc1-c1ccccc1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTWMZUYQAZLDGC-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc2c1NC(c1c[nH]nc1-c1ccccc1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL169233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLZVCIGGICSWIG-UHFFFAOYSA-N", "SMILES:NCCOB(c1ccccc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL156692", "category": ["biolink:ChemicalEntity"], "name": "7-PRENYLOXYCOUMARIN", "xref": ["InChIKey:SMHJTSOVVRGDEO-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2ccc(=O)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL307341", "category": ["biolink:ChemicalEntity"], "name": "AURAPTENE", "xref": ["InChIKey:RSDDHGSKLOSQFK-RVDMUPIBSA-N", "SMILES:CC(C)=CCC/C(C)=C/COc1ccc2ccc(=O)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL156127", "category": ["biolink:ChemicalEntity"], "name": "UMBELLIPRENIN", "xref": ["InChIKey:GNMUGVNEWCZUAA-WOWYBKFKSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1ccc2ccc(=O)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4163103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVZRVVNBVSJJV-BLVAWXTGSA-N", "SMILES:CCCCCCC(=O)N[C@H]1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"name": "Receptor-histidine kinase AgrC", "synonym": ["AgrC"], "xref": ["CHEMBL.TARGET:CHEMBL4726"], "id": "UniProtKB:O07911", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQJRWTKMPAZUCF-PZBSVLGOSA-N", "SMILES:CCCCCCCCCC(=O)N[C@H]1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVZRVVNBVSJJV-XBECTBFPSA-N", "SMILES:CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXWAWJASPCKLBW-FZTDQTOTSA-N", "SMILES:CCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNPZCAJLGLZFJE-SRUILXRCSA-N", "SMILES:CCCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUUFSCXZUVQRV-CVDVTPSQSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMURYSRHIFHSDI-BLVAWXTGSA-N", "SMILES:CCCCCCC(=O)N[C@H]1CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQACWAIFQISFQP-ZGJYDULXSA-N", "SMILES:CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYMETYRNYQYTP-RHXAMEDASA-N", "SMILES:CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVHBAQZRBNRSK-RHXAMEDASA-N", "SMILES:CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFDWTAHEGIDKD-YKOZYRLUSA-N", "SMILES:CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGDCKLOKUYQRJG-SRUILXRCSA-N", "SMILES:CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMGGLICRFZNKOH-SRUILXRCSA-N", "SMILES:CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CCC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"name": "HSP90", "synonym": ["Heat shock protein 90, putative"], "xref": ["CHEMBL.TARGET:CHEMBL1795086"], "id": "UniProtKB:Q8IL32", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDMGQLXNTODMRP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3ccc(OCCCn4cc(CNC(=O)CCCCC5CCSS5)nn4)cc3oc2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIXRNNUJAHBIS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-n2cccn2)nc1)N1CCC(NCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCVYEKBNUJLQY-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-n2cccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGWHGVPJJMTEPO-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1ccccc1)c1ccc(-n2cccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPFBXILYURZQBA-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1ccc(Cl)cc1)c1ccc(-n2cccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQCNXBVFXUOFL-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQLEQBMQCFZMM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(Cc3ccc(F)cc3)c(=O)c(C(=O)NC3CCCCCC3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWTGHHSTVKDLKO-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKFSGOTAINFKN-XNBLRGTDSA-N", "SMILES:COc1ccc(NC(C)=O)cc1C(=O)NNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1[C@@H]1CN(C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)CC[C@H]1NS(=O)(=O)c1ccc(C)cc1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMQOEBIAVCOOT-RRPGOQBSSA-N", "SMILES:COc1ccc(NC(C)=O)cc1C(=O)NNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1[C@@H]1CN(C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)CC[C@H]1NS(=O)(=O)c1ccc(N)cc1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPVTVNKTUMEQT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC(C)C)C(c2ccc(O)c(C(F)(F)F)c2)C2=C(CCC(C)(C)C2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHSGNFVETZGWRU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC2=C(C(=O)C(C)(C)CC2)C1c1ccc(O)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETSNKHAUFHDEA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC(C)C)C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C2=C(CCC(C)(C)C2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMDMHKSJWIWQSV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC2=C(C(=O)C(C)(C)CC2)C1c1cc(Br)cc([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHJIPDRETQSSMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBUSINGPGSAFX-GUJRAXHGSA-N", "SMILES:COc1cc(/C=C2\\CN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C/C(=C\\c3ccc(C#N)cc3)C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URJCULMRCDMTEW-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVAOWPNTIXLJA-UHFFFAOYSA-N", "SMILES:COc1cccc(C2NC(=S)Nc3nc4c(c(N)c32)CCCC4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTYBGCWRXWDNEV-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3c1C(c1cccc(Br)c1)NC(=S)N3)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URYWUKUEMKCBSQ-WWGRRREGSA-N", "SMILES:CC(C)Cc1ccc([C@@H](C)C(=O)OC[C@H](NC(=S)[C@H](C)N)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZKGBAHCFNPCW-QWRGUYRKSA-N", "SMILES:C[C@H](N)C(=S)N[C@@H](COC(=O)CC1(CN)CCCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBNWGKWTYLTLO-WFASDCNBSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1OC(=O)C[C@H](NC(=S)[C@H](C)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXSTMAOMWKRCD-WBVOZYBSSA-N", "SMILES:COc1ccc2cc(CC/C(C)=N/OCCOC(=O)C[C@H](NC(=S)[C@H](C)N)C(=O)O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXYOKTYSCJDOIS-JHVWSTJDSA-N", "SMILES:COc1ccc2cc(CC/C(C)=N/OCCOCCOCCOC(=O)C[C@H](NC(=S)[C@H](C)N)C(=O)O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJWYKGJOCEWQM-WZEYRHAQSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OC[C@H](NC(=S)[C@H](C)N)C(=O)O)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPDCWJHGWZSMY-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nccc3[nH]c(-c4ccncc4)nc23)cc1"]}
{"name": "Uncharacterized protein", "xref": ["CHEMBL.TARGET:CHEMBL4295550"], "id": "UniProtKB:G5EB00", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:227321"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJASWXSMHRYWQI-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2nc3c(NCc4ccccc4)nccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWQHAQYIQARDM-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nc2c(NCc3ccccc3)nccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVVDBJWHAWCQA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPZJDSSLNNDPB-SUCVBKQXSA-N", "SMILES:COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cn(Cc4ccccc4)c4ccccc14)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSAVIFPAIIQDS-NLSFLGDASA-N", "SMILES:COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cn(Cc4ccc(Cl)cc4)c4ccccc14)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJSXDHJBPAPNLB-DIPPMLGLSA-N", "SMILES:COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cn(Cc4ccc5ccccc5c4)c4ccccc14)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCHZTPLQIZVBJQ-DXJIOXPFSA-N", "SMILES:OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cn(Cc4ccccc4)c4ccccc14)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVOFZCPBHOCLG-AQODYWBRSA-N", "SMILES:OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cn(Cc4ccc(Br)cc4)c4ccccc14)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODMAGXZOJNLPBL-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCCCCC(=O)NO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHBJRQPBHPMQU-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKBEESNZAPKMP-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTKXHZGLKGSRG-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)[nH]c2nc(SCc3nc4ccccc4[nH]3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1502567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MONJTOUXCWKOFS-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2ccccn12"]}
{"name": "Multidrug efflux pump LfrA", "xref": ["CHEMBL.TARGET:CHEMBL4295530"], "id": "UniProtKB:A0R5K5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:246196"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCICBFCSOOKUCL-UHFFFAOYSA-N", "SMILES:Cc1cccn2c(=O)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAFVLKCFIPVRJX-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2c(F)cc(F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGBFUMMENNTJY-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Cl)cc2nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZHOANPDIANBQ-UHFFFAOYSA-N", "SMILES:O=c1c2cccc(Cl)c2nc2ccc(F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJZBYKHUGYDPKZ-UHFFFAOYSA-N", "SMILES:Cc1ccn2c(=O)c3cccc(F)c3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYSOLSJMOHGTH-UHFFFAOYSA-N", "SMILES:Cc1cccn2c(=O)c3cccc(Cl)c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPOVJGFNGGNCJN-UHFFFAOYSA-N", "SMILES:O=c1c2cccc(Cl)c2nc2c(Cl)cccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOUUYEIPBYLNSM-UEWBEXHJSA-N", "SMILES:NCCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C(=O)O)cc2)s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYDBZGGKQOZWAX-UEWBEXHJSA-N", "SMILES:NCCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C(=O)O)cc2)[se]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJDTCHIIGZJHW-ZMPVPJHUSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)Nc4ncc(-c5ccc(C(=O)O)cc5)[se]4)C(=O)O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGLFSVXCSGSOB-UHFFFAOYSA-N", "SMILES:Cc1cnc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPKUNRFOODLLZ-HGYQLGRQSA-N", "SMILES:CC(=O)OC[C@]1(C)C(=O)CC[C@@]2(C)[C@H](C/C=C3/C(=O)OC[C@H]3O[Si](C)(C)C(C)(C)C)[C@]3(CC[C@@H]21)CO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSROLQPRWNMCH-SFQQMKOASA-N", "SMILES:CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)/C1=C/C[C@@H]1[C@]2(CC[C@H]3[C@@]1(C)CCC(=O)[C@@]3(C)CO)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZAMDGBOOPJHJQ-GHTZIAJQSA-N", "SMILES:Cc1noc(C)c1-c1ccc(C(=O)N2[C@@H](c3ccccc3Cl)SC[C@H]2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSAMXSWOZSTRQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2nnc(COc3ccc(C)cc3C)s2)cc1"]}
{"name": "Receptor-type tyrosine-protein phosphatase epsilon", "xref": ["CHEMBL.TARGET:CHEMBL4850"], "id": "UniProtKB:P23469", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDOLQSURSFEWKR-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nnc(NC(=O)Nc3ccc(F)c(Cl)c3)s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSRZMKFYBAVTH-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCCCN3CCCC3)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRWEADVTAWACU-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWMHBNCDPRDCJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn(-c2ccc(-n3cc(-c4cccc(C(=O)O)c4)nn3)cc2)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL101896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZIQSOZOLJJMFN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJNEQPZEKQNJI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cn(-c3ccc(-n4nc(C(F)(F)F)cc4C(F)(F)F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMINWSPSBRREEO-UWJYYQICSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c1ccc(C(=O)NO)cc1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNKBTWBZKGIEG-DRIRSKOHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNIHRONTVVIJAK-FZHPGVPKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVECKMCLWFSFEY-OJDGRYBWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKOHWLSQAZHFX-DQZYHKMLSA-N", "SMILES:CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4215877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFIYSPKZWOALMZ-IAVRGAQESA-N", "SMILES:CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4205236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBFGAFDJVQAMRS-MNPNNVDDSA-N", "SMILES:CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL502742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCKGJZEUVPPPI-QSNSFFMXSA-N", "SMILES:CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL525628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDBHSNYTFRCNJ-UDTLMCMUSA-N", "SMILES:CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4202540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVGNRLYMXMYRC-UHFFFAOYSA-N", "SMILES:COc1cc(C#CC(=O)c2cc(Cl)cc(Cl)c2O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVJKKNFDVUNSQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C#CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSBXDVVSRIUOPE-UHFFFAOYSA-N", "SMILES:COc1ccc(C#CC(=O)c2cc(Cl)cc(Cl)c2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQKXIRJBQADKV-UHFFFAOYSA-N", "SMILES:COc1ccc(C#CC(=O)c2cc(Br)cc(Br)c2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4202641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXNWWQCGZOBEK-UHFFFAOYSA-N", "SMILES:CCCCCc1c(OC)cc(OC)c(C(=O)C#Cc2cc(OC)c(OC)c(OC)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQHXKQYVYJIFGP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C(=O)C#Cc2cc(OC)c(OC)c(OC)c2)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGNCYALXICEGE-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)C#Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVJMRPCDQIPYRL-UHFFFAOYSA-N", "SMILES:CCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPISDCVIGOTIB-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Br)ccc2n(Cc2cn(Cc3ccc(F)cc3)nn2)c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDWRBEDTBMPHLW-UHFFFAOYSA-N", "SMILES:O=c1nc(Nc2cccc(-c3cn(Cc4ccc(F)cc4)nn3)c2)c2cccnc2n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJCTRHTVZUWSD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(NC(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUPASKFDURPNGE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEKDTJVZLAALZ-GFCCVEGCSA-N", "SMILES:COc1cc(O)c(C[C@H](O)Cc2ccc(O)c(OC)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL182265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQABHAHJGSNVQR-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4213477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDMXMMBASFOTIF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3c(OC)cc(O)cc3o2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4209997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJHXDSIGZRHZFJ-SCLBCKFNSA-N", "SMILES:COc1cc(OC)c2c(c1)O[C@H](c1cc(O)c(O)c(OC)c1)[C@@H](O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLJWQWRTLHKGO-GOSISDBHSA-N", "SMILES:O=C(Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)CC2)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4216621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKMHMATZTMIDNU-LAUBAEHRSA-N", "SMILES:O=C(Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4218102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKIHBIBUCQPPBY-GHTZIAJQSA-N", "SMILES:O=C(Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4207335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBAEYCUCRUGRP-SSDLBLMSSA-N", "SMILES:C[C@@H]1Oc2cccc(O)c2C(=O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4213105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUMBVWSQTJWXBV-AQYVVDRMSA-N", "SMILES:Cn1nc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)c2cc(NCc3cc(F)c(F)cc3S(C)(=O)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJYGQPNPPVZOM-WLCYWKCBSA-N", "SMILES:CCN(CC)c1ccc(/C=N/NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQKUJNSVHEHIH-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)c2c(O)cc(O)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL325841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVJMJRRORVMRJJ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)c2ccc(O)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL344174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQAFIAKTXDYFI-KRWDZBQOSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCGAOORAMFLTO-KRWDZBQOSA-N", "SMILES:O=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEISBDMOLKTFDG-KRWDZBQOSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)NCC=NO)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJAMYIMDDMCOHO-VHNWJRSRSA-N", "SMILES:CCOC(=O)/C=C\\CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLEAMMUVLKJYMK-ARKBFRDHSA-N", "SMILES:CCOC(=O)/C=C/C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVSNNDAVVSNURD-TVXVBNPNSA-N", "SMILES:CCN(CC)C(=O)/C=C/C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDOPDDGERKZGF-SJFMBGHLSA-N", "SMILES:CNC(=O)/C=C/C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTJHEEIVOBBMMC-SFHVURJKSA-N", "SMILES:CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAIUVJASCVWPC-NSHDSACASA-N", "SMILES:CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)N(C)C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJAMYIMDDMCOHO-PCLFDXGNSA-N", "SMILES:CCOC(=O)/C=C/CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVGNSQBZPSDBCC-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUHKLLSRBIGCNL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1ccc(O)cc1)NCC2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZCFYAFTLNBEIW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCNC2Cc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIOUIJTYVIHHEI-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL19344", "category": ["biolink:ChemicalEntity"], "name": "HIGENAMINE", "xref": ["InChIKey:WZRCQWQRFZITDX-UHFFFAOYSA-N", "SMILES:Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1"], "synonym": ["Dl-demethylcoclaurine", "Higenamine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4210152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRNGXUJIZSKLC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2cccc(N3CCCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTTZBQUWRGBLKU-UHFFFAOYSA-N", "SMILES:O=c1c(Cc2ccccc2)c(O)nc2sc3cc(Cl)ccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUFCDOEKKVKJK-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4202703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTQVQIFZYLQGX-JCNLHEQBSA-N", "SMILES:CCCCn1cnc2c(Nc3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQWAOPKSXYOQPY-WKILWMFISA-N", "SMILES:CC(C)CCn1cnc2c(Nc3cccc(O)c3)nc(N[C@H]3CC[C@H](N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPLNOKXJGFVAI-SAABIXHNSA-N", "SMILES:N[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ncn(C4CCCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMYVDVIXGVLGX-UAPYVXQJSA-N", "SMILES:CCCCCCn1cnc2c(Nc3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTQBEBOAWSMQZ-QAQDUYKDSA-N", "SMILES:CC(C)CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSYQKTYWCBAARW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3ccc(OCCN4CCC(C)CC4)cc3o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVKNQCRMNCNMJP-PXELCPQFSA-N", "SMILES:COC(=O)CN(CC(=O)/C=C/C=C/CCCCCCCCCCN=[N+]=[N-])S(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIUUDXJKQCJHBE-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)C(F)(F)F)N1Cc2ccccc2C#Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCIJTAROBYFJG-YLIBAXIESA-N", "SMILES:Cc1ccc(S(=O)(=O)N(CC(=O)O)CC(=O)/C=C/C=C/CCCCCCCCCCn2nnc3c2-c2ccccc2CN(C(=O)CCCCCNC(=O)C(F)(F)F)c2ccccc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4202584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRTXFOPXJBKNA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=S)NCCCCCC(=O)N2Cc3ccccc3C#Cc3ccccc32)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564482", "category": ["biolink:ChemicalEntity"], "name": "N-FERULOYL SEROTONIN", "xref": ["InChIKey:WGHKJYWENWLOMY-XVNBXDOJSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O"], "chembl_natural_product": true}
{"name": "Protein c-Fos", "xref": ["CHEMBL.TARGET:CHEMBL4105918"], "id": "UniProtKB:P01101", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSCTRPDQUMQKM-UHFFFAOYSA-N", "SMILES:C=CC(C)(C)c1cc(O)c(O)c2c(=O)c3cc(CC=C(C)C)c(O)c(O)c3oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4097066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVHCWPTRLJYOL-UHFFFAOYSA-N", "SMILES:C=CC(C)(C)c1cc(O)c2oc3c(O)cccc3c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2237710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKPIWKMIIRSWKS-GQCTYLIASA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccncc2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQZFPRBIMUDDBG-VOTSOKGWSA-N", "SMILES:CCOc1cc(/C=C/C(=O)c2ccncc2)cc(OC)c1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMMHRRDZVGAIL-SNAWJCMRSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccncc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKYOAJKOQIXNM-NYGSYELISA-N", "SMILES:COc1ccc2cc(N(C)C(=O)C3=NO[C@H]4[C@H](O)C=C[C@@H](Cl)[C@@]4(O)C3)c(=O)oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4216344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTYNLEQXWWJKLB-GLSOUHKVSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCNC(=O)COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWISPDYGRSGXME-YDHLFZDLSA-N", "SMILES:NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIESGQDORHYFHF-DVXDUOKCSA-N", "SMILES:O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNAZYXXOZJZLCE-FMIVXFBMSA-N", "SMILES:COc1ccccc1C1CCN(C(=O)/C=C/c2ccc(NC(C)=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTVYETAUGRLCJB-SOFGYWHQSA-N", "SMILES:CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccn3)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCDBOKHZMWFBB-HWKANZROSA-N", "SMILES:CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3nccs3)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCWVPNVBCOQFK-XVNBXDOJSA-N", "SMILES:CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccc4c(c3)OCO4)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLIASHBUZHREN-ONNFQVAWSA-N", "SMILES:COc1ccc(C2CCN(C(=O)/C=C/c3ccc(NC(C)=O)nc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMDBWMQMHXHKS-CSKARUKUSA-N", "SMILES:COc1ccccc1C1CCN(C(=O)/C=C/c2ccc(NC(C)=O)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYJBWZGKTKRUOL-CSKARUKUSA-N", "SMILES:CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccc3)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNWIGZYZIBMZEK-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(c3ccc4c(c3)OCO4)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTZVOPGBUXXID-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CC(=O)N2CCC(c3nccs3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKCGWJGDQCENY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CCN(C(=O)Cc3ccc(NC(C)=O)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFNFWIPUTVTNTL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CC(=O)N2CCC(c3ccc4c(c3)OCO4)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJYAUJLZPYUXID-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEKQULAMHDFDJQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CC(=O)N2CCC(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOJITLKCHBRAJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1c(F)cccc1Cl)N1CCC(c2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCFHLNWEQZANHL-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1F)N1CCC(c2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTCLFSYURZQSIA-UHFFFAOYSA-N", "SMILES:O=C(Cc1c(F)cccc1F)N1CCC(c2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTHQVBBVQGYMV-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1F)N1CCC(c2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQHYSKDYWZBHC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Cl)N1CCC(c2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYYVTZDNMPJTP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Cl)N1CCC(c2nccs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHWGUJZZRQHPQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Cl)N1CCC(c2ccccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTRIAJPESVHOK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CCN(C(=O)Cc3ccccc3Cl)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLYPNBGGJXSVQL-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CCN(C(=O)Cc2ccccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUWPMFROIHGLW-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CCN(C(=O)Cc2c(F)cccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRVZKTUHBRUFMA-UHFFFAOYSA-N", "SMILES:O=C(Cc1c(F)cccc1F)N1CCC(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSHXBNQPCUHJC-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CCN(C(=O)Cc2cccc(F)c2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZTOJYNAWPILPM-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1F)N1CCC(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWSGIASPQOXFB-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CCN(C(=O)Cc2ccccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVQXODRNAKHRKI-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1F)N1CCC(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHGKKJDHEDLAIJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Cl)N1CCC(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJEUTLBPFRDXOP-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2ccc3cccc(-c4ccc(C#N)c(F)c4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJQYSQBGSAWWKN-ZRFIDHNTSA-N", "SMILES:C[n+]1cn([C@@H]2O[C@H](Cn3cc(OCP(=O)([O-])O)nn3)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21"]}
{"name": "7-methylguanosine phosphate-specific 5'-nucleotidase", "xref": ["CHEMBL.TARGET:CHEMBL4295921"], "id": "UniProtKB:Q969T7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOKQNZVJJXPUQA-KQYNXXCUSA-N", "SMILES:C[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYNPFVALCVOEE-JJNLEZRASA-N", "SMILES:C[n+]1cn([C@@H]2O[C@H](Cn3cc(P(=O)([O-])O)nn3)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QINCGEHGODCBKZ-JGKGQTAXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPWPCHHPBXXAA-UOIZCRLASA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQNHMLYRSXZIP-HEFMFASMSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQGZSYDTPMUKAG-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)nc(Nc2cnn(C3CC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKZSVZTSHVFPG-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nc(N)cc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVMNYANZZJBKC-NWMXHQQLSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1/S/C(=N/N=C2/C(=O)Nc3ccccc32)N(c2ccc(O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSUFWUAISIZKAQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1Br)/C(=N/NC(N)=S)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQUDXGJMHGBKEK-ATVHPVEESA-N", "SMILES:Cc1cccc(OCCOc2cccc(/C=C3\\SC(=S)NC3=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2005280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHALWMSZGCVVEM-UHFFFAOYSA-N", "SMILES:O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1"], "chembl_natural_product": true}
{"name": "Beta-lactamase NDM-1", "synonym": ["Beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL4295540"], "id": "UniProtKB:E5KIY2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIAPVWCRNQKEAC-UHFFFAOYSA-K", "SMILES:S=C([S-])N1CCN(C(=S)[S-])CCN(C(=S)[S-])CC1.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZECPWPHINPTNV-RNAPXVLBSA-N", "SMILES:CCOC(=O)c1csc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHBNVKOBMLKITA-YZCUKXFTSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3nc(CC(=O)N5CCN(C6CCCC6)CC5)cs3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBZFSNORBOQDPM-CCEZHUSRSA-N", "SMILES:O=c1cccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZUHACSRMOLLV-RAALSFIWSA-N", "SMILES:C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBWPFVMZZPWFMD-KRWDZBQOSA-N", "SMILES:CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAVKAKVAXWNHJ-WLRWDXFRSA-N", "SMILES:NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)CCC[C@H]2CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNFPIWEJMJACD-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJCXBGZGHGBRS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUROIBLACYVZRJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWCJOZHBEBXPGJ-NPIMNCLASA-N", "SMILES:CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSBXKPRDBGLLHT-YBGNSBJYSA-N", "SMILES:CC(C)N(NC(=O)c1nccc2ccccc12)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVKWJDUGZGMJOJ-NJDSXQJDSA-N", "SMILES:CC(C)N(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMHVXIMLIHOIM-KRZUOKHYSA-N", "SMILES:CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc3ccccc3c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYXKCONTYDRPRE-NPZLAWLJSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4202864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IODIKJYTXTYRCE-PQFUCMEHSA-N", "SMILES:C[C@@H](C(=O)N[C@H]1CC(=O)OC1O)N1C(=O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTWGFJNQVGSGG-SEYDZQODSA-N", "SMILES:O=C1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)c4nccc5ccccc45)C(=O)N32)C(O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGNQLDHWIFNKJ-ZXVHUFDFSA-N", "SMILES:C[C@@H](C(=O)N[C@H]1CC(=O)O[C@@H]1O)N1C(=O)CCC(NC(=O)c2ccc3ccccc3c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXNUIPVZMJMPNM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCOCCOCCNC(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVBGYTWMZKXATO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCOCCOCCNC(=O)CNc3cccc4c3C(=O)N(C3CCCNC3=O)C4=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIRQUXILNXIWDI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCOCCOCCNC(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJAANTOEOXWPKC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCOCCOCCNC(=O)CNc2cccc3c2C(=O)N(C2CCCNC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMCZEBJGJNUJF-UHFFFAOYSA-N", "SMILES:COc1c(Cc2cccc3ccccc23)cc(=O)n2c1SCC2C(=O)O"]}
{"name": "Listeriolysin regulatory protein", "xref": ["CHEMBL.TARGET:CHEMBL4295575"], "id": "UniProtKB:P22262", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:169963"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWUOIWCWQIGMEB-UHFFFAOYSA-N", "SMILES:CN(C)c1c(Cc2cccc3ccccc23)cc(=O)n2c1SCC2C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRFTQGEDGJQEE-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2cc(=O)n3c(c2N(C)C)SCC3C(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYOKFGWFIQXTM-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cc2cc(=O)n3c(c2N(C)C)SCC3C(=O)O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1204537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMDMKWJIRFLEEY-SFHVURJKSA-N", "SMILES:O=C(O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNDNLFXKQSTINI-WUFINQPMSA-N", "SMILES:COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(-c2nnn[nH]2)cc1"]}
{"name": "Class 1 phosphodiesterase PDEB1", "synonym": ["Phosphodiesterase"], "xref": ["CHEMBL.TARGET:CHEMBL2010636"], "id": "UniProtKB:Q8WQX9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5691"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAEGVASGMTZGFI-AQYVVDRMSA-N", "SMILES:N[C@H]1CC[C@H](Nc2nc(Nc3ccc(CN4CCOCC4)cc3)c3ncn(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUFCAJTNYBDPL-NCOIDOBVSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=S)(S)OP(=O)(O)OP(=O)(O)OP(=S)(S)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKMGDLBZBSPFY-XVFCMESISA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=S)(S)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYYRNPQEPSHXFM-XVFCMESISA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=S)(S)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLPXVXNGWSPLN-ZOQUXTDFSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=S)(S)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZFMWAHUFRLQRH-XDJHFCHBSA-N", "SMILES:C/C(=C\\COc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELAGPKLPBLHLU-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CCN(CCO)C2CCCCC2O)cc1OCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJHXQJGHFHZJL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(C(CO)CO)N(C(=S)Nc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDWNYNJOVNWNIV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2ncc3ccccc3n2)c1"]}
{"name": "Mitogen-activated protein kinase kinase kinase 5", "synonym": ["mitogen-activated protein kinase kinase kinase"], "xref": ["CHEMBL.TARGET:CHEMBL4295637"], "id": "UniProtKB:D3ZZH6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGWKMLTZIONCM-HWKANZROSA-N", "SMILES:COc1ccc(C/C=C/CCCCc2ccccc2O)cc1"]}
{"name": "Prostaglandin E synthase", "xref": ["CHEMBL.TARGET:CHEMBL2046261"], "id": "UniProtKB:Q9JM51", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHBBPYKSIETDT-UVTDQMKNSA-N", "SMILES:COc1ccc(/C=C2\\NC(=S)N(c3ccccc3)C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVXFIVJSCUOFNT-QXPABTKOSA-N", "SMILES:C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504029", "category": ["biolink:ChemicalEntity"], "name": "GINSENOSIDE RH4", "xref": ["InChIKey:OZTXYFOXQFKYRP-TXRYYSRHSA-N", "SMILES:CC(C)=CC/C=C(\\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL400244", "category": ["biolink:ChemicalEntity"], "name": "GINSENOSIDE RG5", "xref": ["InChIKey:NJUXRKMKOFXMRX-RNCAKNGISA-N", "SMILES:CC(C)=CC/C=C(\\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL584011", "category": ["biolink:ChemicalEntity"], "name": "GINSENOSIDE F1", "xref": ["InChIKey:XNGXWSFSJIQMNC-FIYORUNESA-N", "SMILES:CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4205501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVONIFWOMWTUKZ-FIYORUNESA-N", "SMILES:CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1095008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXIFXNRCLMQCD-CZIWJLDFSA-N", "SMILES:CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C"], "chembl_natural_product": true}
{"name": "EH domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295942"], "id": "UniProtKB:Q9H4M9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWPMENVYXDJDOW-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O"], "chembl_natural_product": true}
{"name": "Histidine protein kinase DivJ", "xref": ["CHEMBL.TARGET:CHEMBL4295589"], "id": "UniProtKB:Q03228", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:190650"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRIIAAZDVOCGC-HBVGIDCDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@]1(C)CCCCCCC=CCCC[C@@](C)(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWEHWZRPZAJIMI-LEOPJCJBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]1(C)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CS)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFIQHPMSQHNRN-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2c(noc2Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHWZHRDWLZHCNY-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2c(noc2Cc2ccc(C#N)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390320", "category": ["biolink:ChemicalEntity"], "name": "ISOSCOPOLETIN", "xref": ["InChIKey:SYTYLPHCLSSCOJ-UHFFFAOYSA-N", "SMILES:COc1cc2oc(=O)ccc2cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4207830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDRRALEPJSKSX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc4c(cc3c2=O)C=CC(C)(C)O4)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL387527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMAKOBLIOCQGJP-UHFFFAOYSA-N", "SMILES:O=C(O)c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL566", "category": ["biolink:ChemicalEntity"], "name": "URACIL", "xref": ["InChIKey:ISAKRJDGNUQOIC-UHFFFAOYSA-N", "SMILES:O=c1cc[nH]c(=O)[nH]1"], "synonym": ["Uracil", "Uracil", "Hybar x", "Pyrod", "Uracil", "BMS-205603-01", "NSC-3970", "SQ-6201", "SQ-7726", "SQ-8493", "Uracil", "Fluorouracil specified compound c", "Lamivudine impurity e", "Lamivudine impurity e rs", "Uracil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4209145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSMLJOHWFORNLY-ZZXKWVIFSA-N", "SMILES:NC(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL15972", "category": ["biolink:ChemicalEntity"], "name": "BENZALDEHYDE", "xref": ["InChIKey:HUMNYLRZRPPJDN-UHFFFAOYSA-N", "SMILES:O=Cc1ccccc1"], "synonym": ["Benzaldehyde", "Benzaldehyde", "Benzaldehyde spirit", "Benzoic acid aldehyde", "Benzoic aldehyde", "Nci-c56133", "FEMA NO. 2127", "NSC-7917"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL14152", "category": ["biolink:ChemicalEntity"], "name": "ETHYL ACETATE", "xref": ["InChIKey:XEKOWRVHYACXOJ-UHFFFAOYSA-N", "SMILES:CCOC(C)=O"], "synonym": ["E1504", "Ethyl acetate", "Acetic acid, ethyl ester", "Ethyl acetate", "Vinegar naphtha", "FEMA NO. 2414", "NSC-70930"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4211741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHHMQUATGPVRG-HEFLOINYSA-N", "SMILES:C/C(=C\\COC(=O)c1ccccc1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4210293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKGXITCTNQJXRZ-NBXQZZMVSA-N", "SMILES:C/C(=C\\COC(=O)c1ccccc1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4212916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLYYHPPVFSJOCV-LVRLOJBGSA-N", "SMILES:CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](C(=O)N[C@H]2CSCCNC(=O)/C=C/[C@H](C)NC2=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMNEZBWHFAQET-RVPQDMBASA-N", "SMILES:CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@H]1CSCCNC(=O)/C=C/[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKJQBBIHCDRRLL-UHFFFAOYSA-N", "SMILES:CC(C)=CCCC(C)(O)C1Cc2c(c(CC=C(C)C)c(O)c3c(=O)c4cc(O)ccc4oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBYKCNYFABTPS-UHFFFAOYSA-N", "SMILES:C=C(CCC=C(C)C)C(O)Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c3cc(O)ccc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNDEVMAMLNSGV-RQZCQDPDSA-N", "SMILES:C=C(C)C(O)Cc1c(O)c(C/C=C(\\C)CCC=C(C)C)c2oc3ccc(O)cc3c(=O)c2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782241", "category": ["biolink:ChemicalEntity"], "name": "COCHINCHINONE A", "xref": ["InChIKey:ZHJQVNDLFGICFY-VCHYOVAHSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c3cc(O)ccc3oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1782240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJCQKZZWUEEQY-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3ccc(O)cc3c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4217516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXIWUDODLMCGG-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4218731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPPUQGDNLFZCD-UHFFFAOYSA-N", "SMILES:COc1c(O)ccc2c(=O)c3c(O)cc4c(c3oc12)C(C)(C)C(CO)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOPKDKPJTJHLPB-OQLLNIDSSA-N", "SMILES:CC(C)=CCC/C(C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4214309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDJAEMRUKSAODL-CPNJWEJPSA-N", "SMILES:CC(C)=CCC/C(C)=C/COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4202640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRZPNZMYDKLKPQ-RIYZIHGNSA-N", "SMILES:C=C(C)C(O)CC/C(C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL574422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBGXSHIKISRHR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(COc2cc(NC(=O)C3CCCCC3)ccc2N(C)S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIJGTRVPVYAGLD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(COc2cc(NC(=O)c3cccc4ccccc34)ccc2S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGSMGQYCBXBSS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)c(OCc3cc(OC)ccc3OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1873151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFGHEWIJVIJRTN-UHFFFAOYSA-N", "SMILES:O=CN1CCc2c([nH]c3ccccc23)C1c1cccc2cccnc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4217784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRGGIVFZAJPIC-BQYQJAHWSA-N", "SMILES:O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1/C=C/c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBICFNBLMNOMNL-ZHACJKMWSA-N", "SMILES:O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHQSNHGGSKSHQ-CEYJXWRUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNXOPMMANYPOJ-SAQCNBIFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMPWJHGWNLSRQT-UHFFFAOYSA-N", "SMILES:CC(=O)CC1(O)CC(=O)c2c(C)cc(O)cc2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4207747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBPSRWKILRBCDW-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3c[nH]c4ccccc34)C(=O)CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFCLZZNLMPSBNW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCN1C(=O)CC2C(=C(N)Oc3ccccc32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDGOZDWIUGCQCA-UHFFFAOYSA-N", "SMILES:CCCCC(CC)COc1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCWSZJSBFFENW-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1cccc(-c2c[nH]nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OREUBNUWZDBPBB-UHFFFAOYSA-N", "SMILES:CCCCC(CC)COc1ccccc1-c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSMUQAKEKHZIK-UHFFFAOYSA-N", "SMILES:CCCCC(CC)COc1ccc(-c2c[nH]nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PINPXBPPPXECJU-UHFFFAOYSA-N", "SMILES:CCCCC(CC)COc1cccc(Cn2cncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJAEMVSRDFJMT-UHFFFAOYSA-N", "SMILES:CCCCC(CC)COc1cccc(-c2n[nH]c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXDSMFBEVSJYRF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(N)=O)cn1"]}
{"name": "Nicotinamide N-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4295666"], "id": "UniProtKB:O55239", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADSGNYQSUBECHX-CLFYSBASSA-N", "SMILES:O=C1/C(=C/c2ccccn2)SC(=S)N1CCc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPALVWGYQNCVKK-FOWTUZBSSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C\\c2ccc(-c3ccccc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZFUPFDQROTDD-VBKFSLOCSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C/c2cccc(Nc3ccccc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIENUAAQBYGCLF-NTEUORMPSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C\\c2ccc(-c3cccc(O)c3)o2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKMFJZHHXIETC-UHFFFAOYSA-M", "SMILES:CCOC(=O)c1c(C)oc2cc(OCCc3ccccc3)c(OCc3oc4cc(OC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)cc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGXUUGGLDCZKB-UHFFFAOYSA-N", "SMILES:O=c1oc(Cl)c(Cl)c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL145762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBAXULDFOCTUNQ-ZHACJKMWSA-N", "SMILES:O=c1oc(/C=C/c2ccccc2)nc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4210978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDNPZWMYHGIMM-MDZDMXLPSA-N", "SMILES:O=c1oc(/C=C/c2ccccc2Cl)nc2ccccc12"]}
{"name": "Rhomboid protease GlpG", "xref": ["CHEMBL.TARGET:CHEMBL4296282"], "id": "UniProtKB:P09391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWLDQDWZNJYKL-UHFFFAOYSA-N", "SMILES:CNc1ncc2c(-c3ccc(N4CCN(C)CC4)cc3)nn(CC3CCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYZFQSLJTWPSDS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1[Se]c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL114503", "category": ["biolink:ChemicalEntity"], "name": "SODIUM SELENATE", "xref": ["InChIKey:MHQOTKLEMKRJIR-UHFFFAOYSA-L", "SMILES:O=[Se](=O)([O-])[O-].[Na+].[Na+]"], "synonym": ["Sodium selenate", "Sodium selenate", "NSC-378348"]}
{"id": "CHEMBL.COMPOUND:CHEMBL107217", "category": ["biolink:ChemicalEntity"], "name": "DITIOCARB SODIUM", "xref": ["InChIKey:IOEJYZSZYUROLN-UHFFFAOYSA-M", "SMILES:CCN(CC)C(=S)[S-].[Na+]"], "synonym": ["Ditiocarb sodium", "Ditiocarbe sodique", "Ditiocarbo de sodio", "Dedtc", "Dithiocarb", "Imuthiol", "Thiocarb", "NSC-38583"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXFWIACAGNFHA-UHFFFAOYSA-N", "SMILES:c1ccc(SSc2ccccn2)nc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1594935", "category": ["biolink:ChemicalEntity"], "name": "CYSTAMINE DIHYDROCHLORIDE", "xref": ["InChIKey:YUFRRMZSSPQMOS-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCSSCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602", "category": ["biolink:ChemicalEntity"], "name": "CYSTEAMINE", "xref": ["InChIKey:UFULAYFCSOUIOV-UHFFFAOYSA-N", "SMILES:NCCS"], "synonym": ["Mercaptamine", "Mercaptamine", "Mercaptamine", "Mercaptamine", "Mercaptamine", "Mercaptamina", "Cysteamine", "Cysteamine", "Mercaptamine", "L-1573", "MEA", "NSC-647528", "Cystagon", "Cysteamine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL28517", "category": ["biolink:ChemicalEntity"], "name": "E927A", "xref": ["InChIKey:XOZUGNYVDXMRKW-AATRIKPKSA-N", "SMILES:NC(=O)/N=N/C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1221925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEMOMIGRRWSMCU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)C1(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYL SULFOXIDE", "xref": ["InChIKey:IAZDPXIOMUYVGZ-UHFFFAOYSA-N", "SMILES:C[S+](C)[O-]"], "synonym": ["Dimethyl sulfoxide", "Dimethyl sulfoxide", "Dimethyl sulfoxide", "Dimethyl sulfoxide", "Dimethyl sulfoxide", "Dimethylsulfoxyde", "Dimetil sulfoxido", "Dimethyl sulfoxide", "Dimethyl sulfoxide", "DMSO", "NSC-763", "SQ 9453", "SQ-9453", "Dimethyl sulfoxide", "Infiltrina", "Rimso 50", "Rimso-50", "Syntexan", "Dimethyl sulfoxide", "Dimethyl sulfoxide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL454739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPTJKHVBDCRKNF-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(O)cccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2348532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDWSGZHNBANIO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4216605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXGZGYPIUQRWQI-YVNNLAQVSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)c2ccccc2n3Cc2ccc(Br)cc2F)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHYQWBHIJNKKAM-UUYOSTAYSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)c2ccccc2n3Cc2ccc([N+](=O)[O-])cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQYCEFNIOUFEI-UUYOSTAYSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)c2ccccc2n3Cc2ccc(F)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCKEWPTNULPBW-FMCGGJTJSA-N", "SMILES:N#Cc1ccc(Cn2c3ccccc3c3cc(/C=C4\\SC(=S)N(CC(=O)O)C4=O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4202977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBHNHCDMAVDHW-UUYOSTAYSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)c2ccccc2n3Cc2ccc(C(F)(F)F)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFFTTMBAOBCMA-JJFYIABZSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)c2ccccc2n3Cc2ccc(F)c(F)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVMHQSDMKWQNBK-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccc(F)cc3)SCC4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSTGTGUMVOFPSQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"name": "Casein kinase I isoform alpha", "xref": ["CHEMBL.TARGET:CHEMBL3337329"], "id": "UniProtKB:P67827", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKDORUDVYNLYEP-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWANPHKGQQZYJY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(SCC(=O)Nc3nc4ccc(C(F)(F)F)cc4s3)nc3c(c2=O)SCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASNBCMDJKIZLOU-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(SCC(=O)Nc3nc4ccc(C(F)(F)F)cc4s3)nc3c(c2=O)SCC3)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTERNXYBSXTNET-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2c(c(=O)n1Cc1cccc(C(F)(F)F)c1)SCC2)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUJODKHFVDMBND-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2c(c(=O)n1Cc1ccc(C(F)(F)F)cc1)SCC2)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFVKVCJZYHUZBD-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2c(c(=O)n1Cc1ccc(OC(F)(F)F)cc1)SCC2)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFODCRIYRRWUIT-SUWWXJJSSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(OC(=O)CCCc3cn(CCOCCOCCOCCNC(=O)CCCC[C@H]4SC[C@H]5NC(=O)N[C@H]54)nn3)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449579", "category": ["biolink:ChemicalEntity"], "name": "MICHELIOLIDE", "xref": ["InChIKey:RDJAFOWISVMOJY-PWNZVWSESA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(O)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4205635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIMHBHBACDXPTB-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJRVCMVPIKELBC-LJQANCHMSA-N", "SMILES:C=CC(=O)N[C@@H]1Cn2c(c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUOGOXWKQAKOR-NRFANRHFSA-N", "SMILES:Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2C[C@@H]1CNC(=O)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIYBCVRMZHPXIV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(Nc3cc(-c4cccc(F)c4)[nH]n3)nc(Sc3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFHAKBSSOYHMLY-UHFFFAOYSA-N", "SMILES:CC(C)c1cc2cccc(-c3nnc(C4CCN(CC5CCOCC5)CC4)o3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNLWOQHMQRHDV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCC(C#N)(c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYPBSAWLJTWDZ-WDWIDUTESA-N", "SMILES:COc1ccccc1C(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC/C(C)=C\\[C@@H]12)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWCMJNSTHYHSE-SGAXSIHGSA-N", "SMILES:C/C=C(/CO)COc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145781", "category": ["biolink:ChemicalEntity"], "name": "7-BENZYLOXYCOUMARIN", "xref": ["InChIKey:QDLFCBKKECTJSK-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCc3ccccc3)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4208235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMLUJJGVYFTQK-UHFFFAOYSA-N", "SMILES:CC(C)(C)COc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2268532", "category": ["biolink:ChemicalEntity"], "name": "7-(2-PENTYNYLOXY)COUMARIN", "xref": ["InChIKey:XFWZLFMHGVFWHA-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2268546", "category": ["biolink:ChemicalEntity"], "name": "(E)-7-(2-BUTENYLOXY)COUMARIN", "xref": ["InChIKey:ZAEXKGMTPPNFQA-NSCUHMNNSA-N", "SMILES:C/C=C/COc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568516", "category": ["biolink:ChemicalEntity"], "name": "7-PROPOXYCOUMARIN", "xref": ["InChIKey:FCCCOTWGEKNZMI-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2ccc(=O)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4211861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPUSKLKLGJITJ-RKRBKVPKSA-N", "SMILES:COC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4207503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTASMTJQVSFKKE-MOBUXCPGSA-N", "SMILES:C[C@@H]1C[C@H]([C@@H](O)C(C)(C)O)O[C@]2(O)[C@H]1[C@@]1(C)CC[C@@]34C[C@@]35CC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4212729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRRFBBLMAVXSBR-YRMODFLYSA-N", "SMILES:C[C@H]1[C@H]2[C@@H](O[C@@]3(O)[C@@H]1OC(C)(C)[C@H]3O)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4208985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZEXWSOYHYUSFA-SEOJVTTGSA-N", "SMILES:CC(=O)OC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4204496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJGMIZSCETWMLA-KIUGYLFESA-N", "SMILES:CC(=O)O[C@H]([C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4218633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMEMUOUIWQMYDS-QEINCVHASA-N", "SMILES:C[C@@H]1C[C@]23OCC(C)(O)[C@H]2O[C@@]2(O3)[C@H]1[C@@]1(C)CC[C@@]34C[C@@]35CC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4204107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPRMYZBBHLQAM-SXCZTZLJSA-N", "SMILES:C[C@@H]1CC(=O)[C@H](O)[C@]2(O)[C@H]1[C@@]1(C)CC[C@@]34C[C@@]35CC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4217337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKNOSRJCLLJRG-YGXGEGEMSA-N", "SMILES:C[C@@H]1C[C@H]2O[C@]3(O[C@H]2C(C)(C)O)[C@H]1[C@@]1(C)[C@H](O)C[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4207574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBXWIISEWSWQK-QMIZWMDOSA-N", "SMILES:CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](O)C(C)(C)O"], "chembl_natural_product": true}
{"name": "Matrix metalloproteinase-9", "xref": ["CHEMBL.TARGET:CHEMBL2214"], "id": "UniProtKB:P41245", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Regulator of G-protein signaling 17", "xref": ["CHEMBL.TARGET:CHEMBL4295974"], "id": "UniProtKB:Q9UGC6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Guanine nucleotide-binding protein G(o) subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4742"], "id": "UniProtKB:P09471", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVJDILLZDMZKM-UHFFFAOYSA-N", "SMILES:C#CC(C)(Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)c1ccc2[nH]c(N)nc(=O)c2c1"]}
{"name": "Histone acetyltransferase GCN5", "synonym": ["histone acetyltransferase"], "xref": ["CHEMBL.TARGET:CHEMBL4295890"], "id": "UniProtKB:Q8IB67", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221137", "category": ["biolink:ChemicalEntity"], "name": "EMBELIN", "xref": ["InChIKey:IRSFLDGTOHBADP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4217008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYRIZYVCUPUVDM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(OCC(=O)N4N=C(c5cc6ccccc6oc5=O)CC4c4ccc(C(F)(F)F)cc4)ccc3c2=O)cc1"]}
{"name": "Nuclear receptor subfamily 2 group C member 2", "xref": ["CHEMBL.TARGET:CHEMBL4295769"], "id": "UniProtKB:P49117", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRRAUACYORZLX-UHFFFAOYSA-N", "SMILES:OC(CC1c2ccccc2-c2cncn21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFGWONCCRUNMD-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(Cl)cc2n1Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMWYBUMCVJDAAP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)n1c(=O)oc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVYVNRINHHODH-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(Cl)cc2n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTIARQDLTLPRGG-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C1=NN(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFFQYJYNWXNGE-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(O)cc(O)c(C(C)=O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL225304", "category": ["biolink:ChemicalEntity"], "name": "PIMAGEDINE", "xref": ["InChIKey:HAMNKKUPIHEESI-UHFFFAOYSA-N", "SMILES:N=C(N)NN"], "synonym": ["Pimagedine", "Pimagedina", "Aminoguanidine", "Pimagedine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4205174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFXWTVLDSKSYLW-NSCUHMNNSA-N", "SMILES:COc1cc(/C=C/C(=O)O)cc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4202879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEBARHNBNHJMSJ-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1)C1(c2ccc(Br)cc2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZYIFLNEOJWFLI-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(NC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)cc(c23)C1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXRSZULTJJZSM-ZDUSSCGKSA-N", "SMILES:Nc1nc2cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)[nH]c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAILKEZVTQZRCF-GORDUTHDSA-N", "SMILES:C/C=C/c1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OCCCN4CCOCC4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIDTLNEEJCIJR-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCOc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242529", "category": ["biolink:ChemicalEntity"], "name": "CONIFERYL ALDEHYDE", "xref": ["InChIKey:DKZBBWMURDFHNE-NSCUHMNNSA-N", "SMILES:COc1cc(/C=C/C=O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL501870", "category": ["biolink:ChemicalEntity"], "name": "CONIFERYL ALCOHOL", "xref": ["InChIKey:JMFRWRFFLBVWSI-NSCUHMNNSA-N", "SMILES:COc1cc(/C=C/CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4216898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHBYFNGCNGWZJM-UHFFFAOYSA-N", "SMILES:c1ccc2nc3c(cc2c1)Cn1c-3nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPBUQCMVBMYHM-UHFFFAOYSA-N", "SMILES:Brc1cccc2cc3c(nc12)-c1nc2ccccc2n1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVTKHFVGPDSMLC-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc3c(nc12)-c1nc2ccccc2n1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSMGAMICWEWOQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc3c(nc2c1)-c1nc2ccccc2n1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDHIAXRJHPKTM-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(cc2c1)Cn1c-3nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODXXHJTTGKFHL-UHFFFAOYSA-N", "SMILES:COc1cccc2cc3c(nc12)-c1nc2ccccc2n1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOZQSDYSRIXSR-UHFFFAOYSA-N", "SMILES:COc1ccc2cc3c(nc2c1)-c1nc2ccccc2n1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZOCDYVRENWTAN-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(cc2c1)Cn1c-3nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBLXOXLJUZQAJL-UHFFFAOYSA-M", "SMILES:Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANDDLAEPXKMHJ-GXDHUFHOSA-N", "SMILES:CN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQIFNVZSXXYRQ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCc1cccc(Cl)c1)N1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHILXJDAYVODV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(OCCCOc5ccc(C(=O)Nc6ccccc6N)nc5)ccc34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJKHKHBTDJWQP-UHFFFAOYSA-N", "SMILES:CC(C)CN(C)c1ccc(-n2cc(C(=O)O)cn2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKOWXTHGWKXKTH-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNC(=O)CC2c3ccccc3-c3cncn32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZQLEASMKQCMT-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2cncn21)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207852", "category": ["biolink:ChemicalEntity"], "name": "MIZACORAT", "xref": ["InChIKey:ZQFNDBISEYQVRR-LOSJGSFVSA-N", "SMILES:CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccccc1"], "synonym": ["Mizacorat", "Mizacorat", "Mizacorat", "Azd 9567", "Mizacorat", "AZD-9567", "AZD9567"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMBMSSXXWAJDS-HNNXBMFYSA-N", "SMILES:Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cn3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSOJIOKMUXQEMI-HNNXBMFYSA-N", "SMILES:Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVUCXTYNJIWGK-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OCCOC"]}
{"name": "Mast/stem cell growth factor receptor Kit", "xref": ["CHEMBL.TARGET:CHEMBL2034798"], "id": "UniProtKB:P05532", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLSPHPYZUTIDT-RETRBKMKSA-O", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMANVHZDYKNLDT-UHFFFAOYSA-N", "SMILES:Cc1csc(NC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNSRJNHZPJVJH-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)NCCCCCCC(=O)NO)cc4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPBGKKBBYNOXCG-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBIKZHGTPMMMM-UHFFFAOYSA-N", "SMILES:O=C(NNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMFPBCBLOVRSJS-UHFFFAOYSA-N", "SMILES:Nc1nccnc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1467989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTAHAIAPBLGIOT-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298910", "category": ["biolink:ChemicalEntity"], "name": "TELACEBEC", "xref": ["InChIKey:OJICYBSWSZGRFB-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1"], "synonym": ["Telacebec", "Telacebec", "Q-203", "Q203", "Telacebec"]}
{"name": "Cytochrome bc1 complex cytochrome b subunit", "xref": ["CHEMBL.TARGET:CHEMBL4295794"], "id": "UniProtKB:P9WP37", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRONAJQPZWDYAR-ZDUSSCGKSA-N", "SMILES:COc1ccc(NC(=O)N2CCN(c3nc(N)nc4c3cnn4C)[C@@H](C)C2)c(C)c1"]}
{"name": "Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL1075102"], "id": "UniProtKB:O00443", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL5554"], "id": "UniProtKB:O00750", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma", "xref": ["CHEMBL.TARGET:CHEMBL1163120"], "id": "UniProtKB:O75747", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVESYXSSUDWUGO-LHPUUBQNSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CSSCCN(CC(N)=O)C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYQBYLWPWPUCOK-UCDSCSKHSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CSSCCN(CC(N)=O)C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1680", "category": ["biolink:ChemicalEntity"], "name": "OCTREOTIDE", "xref": ["InChIKey:DEQANNDTNATYII-OULOTJBUSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O"], "synonym": ["Octreotide", "Octreotide", "Octreotide", "Octreotida", "Octreotide", "Octreotide", "SMS 201-995", "SMS-201-995", "SMS-995", "SMS995", "Octreotide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3776000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUNNMUQVOOHJL-JTQLQIEISA-N", "SMILES:Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CC[C@H](N)C1)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVOOKCSDFARUGJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1c(O)c1occ(C(=O)NC3CCCNC3)c1c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUIRGOWAROZXCR-UHFFFAOYSA-N", "SMILES:CCN1CCC(N2CCc3nc(Nc4ncc(F)c(-c5cc(F)c6nc(C)n(C(C)C)c6c5)n4)ccc3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPUOFLXSLNPTPO-BGESNHRTSA-N", "SMILES:CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLIXFRTBDVGDJ-CPINXBBCSA-N", "SMILES:CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJFZOGMSPBHPNS-WICJZZOFSA-N", "SMILES:Cl.Cl.c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNEGRPYNMCMCTH-FOCLMDBBSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCSROLAJZAPGNK-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1ccc2[nH]c(-c3ccccc3O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZRXTHHVZWYBLI-RYGOELPRSA-N", "SMILES:COC(=O)[C@@]12Oc3cc(C)c(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(=O)C1=C(O)CC[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4217878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGVXFNZVOCVEN-JRDPMJDLSA-N", "SMILES:COC(=O)[C@@]12Oc3c(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@@H](O)[C@]4(C(=O)OC)O5)ccc(O)c3C(=O)C1=C(O)C[C@H](CO)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1439938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDUOPQZLRWPGTF-ZEELXFFVSA-N", "SMILES:COc1cc(/C=C2\\COC/C(=C\\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163081", "category": ["biolink:ChemicalEntity"], "name": "LEUSA", "xref": ["InChIKey:XFEDFDTWJLGMBO-LEJQEAHTSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJZAZMKENKZBAJ-QTOWJTHWSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"name": "Tyrosine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL4295572"], "id": "UniProtKB:P0AGJ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRBRMHHDAUXAY-UFIIOMENSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](O)[C@H]1O"]}
{"name": "Aspartate--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL4295574"], "id": "UniProtKB:P21889", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXFJGONGJPTLZ-YTMOPEAISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CO)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"name": "Serine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL4295569"], "id": "UniProtKB:P0A8L1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGYHBPYQNXCVBP-HMMYKYKNSA-N", "SMILES:O=C1/C(=C/c2ccc(OCCCN3CCCCC3)cc2)Cc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUBTFVEEDSMJZ-LGUFXXKBSA-N", "SMILES:O=C1/C(=C/c2ccc(OCCCN3CCCCC3)cc2)Cc2ccc(OCc3ccc(Br)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPGVZOMHHYPJU-LGUFXXKBSA-N", "SMILES:O=C1/C(=C/c2ccc(OCCCN3CCCCC3)cc2)Cc2cc(OCc3ccc(Br)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1503946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKWOTYVMPTGJL-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CNc1[nH]cnc2ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWXDSRSJKAVEQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CCn2cnc3c(NCc4ccccc4Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXPCHVXFDHPTBW-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ncnc3[nH]cnc23)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4215180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILSJNIUBKUXKA-UHFFFAOYSA-N", "SMILES:Fc1cc(Nc2ncnc3[nH]cnc23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXXVJWHJKVJJT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPHOMCRDGLVMJ-XHIHJMKYSA-N", "SMILES:Clc1ccc(CN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDAFJIWJSHZGB-AHSPYXSFSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@]1(C)CCCC=CCCC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N1)[C@@H](C)CC)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBRBQRGVALEHCB-IDWBYVFWSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)C1(C)CCCC=CCCC[C@@](C)(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](C)CC)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHLNNQHHPFDSG-DBTFZPMKSA-N", "SMILES:CCCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4205935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUPAAVFQDHSSPT-ZZEJCQHDSA-N", "SMILES:C[C@@H]1OC(=O)/C(=C/CCCCCCCCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHLNNQHHPFDSG-YIBWVLRXSA-N", "SMILES:CCCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4212504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHLNNQHHPFDSG-TUEARFBRSA-N", "SMILES:CCCCCCCCCCCCC/C=C1\\C(=O)O[C@@H](C)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4218650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSSHGBYNUZHOCF-CLLPVZCOSA-N", "SMILES:CCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4211228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVFNZHKMFGHWTF-IJUARFSTSA-N", "SMILES:CCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSMMPEJLOMMKCX-WPDDIUJQSA-N", "SMILES:CCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4206858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRLHJIVJXZHMR-SMJKGJDYSA-N", "SMILES:CCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXLYDHFSKEGCV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUVXHIKTHZHOZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(C)C(=O)c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDRDRHWCPQJSW-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)CCN2C(=O)c1ccc2c(c1)N(C1CC1)C(C)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTVVPFDFURPQD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3c(c2)N(C2CCCC2)C(C)C(=O)N3C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQOETRKURBNGA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc(CNc2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIJTBBTGVSRLV-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(COCc3cn(Cc4ccc(Cl)c(Cl)c4)nn3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAGDHXVPCSWLD-UHFFFAOYSA-N", "SMILES:OCc1cc(-c2cccs2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPUXFKWYPJDFT-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)COCc2cc(-c3cccs3)on2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAALLGSEHCYCQ-VDHUWJSZSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFPDMRRKLWYKJW-MWQQHZPXSA-N", "SMILES:Cc1cc(=O)oc2cc(-c3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLUCBNZUVZVZSJ-LJQANCHMSA-N", "SMILES:O=C(Nc1cc(F)ccc1F)[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOZGUJJGVBYZQY-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2n[nH]c3c2CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUSGHUMBOMVJHS-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2n[nH]c3c2CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNZEHWQIHUHGP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2n[nH]c3c2CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUCQKAOSMQWPJG-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2noc3c2CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYKRUUXDACSBG-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc3c2CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZUVTGUCSFHZGQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc3c2CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUGAUMYHMNFNU-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2ccc3cc(C(=O)c4ccc(F)cc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVHMRAUXRGIOE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2ccc3cc(C(=O)c4ccc(Cl)cc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTINFDLICSLUSD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2ccc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOUPYAWOJLXAX-UHFFFAOYSA-N", "SMILES:Cn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBIPJQHFIZPQHA-NSHDSACASA-N", "SMILES:C[C@H]1COCCN1c1nc(-c2cnc(N)cc2F)cc(C2(S(C)(=O)=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYJLZLIZFYDGH-CYWOPNSYSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZUNHAZENIDIFN-KNWKATPGSA-N", "SMILES:O=C(NCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDSSSOFJCDIACE-JBPLVUINSA-N", "SMILES:O=C(NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)[C@H]1CC[C@H](C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREBDSFOSWCPIS-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc(C(=O)NC(=N)N)c(N)nc2N2CCCCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPGYSVEHLETQR-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N2CCCCCC2)nc1N"]}
{"name": "Lysosomal Pro-X carboxypeptidase", "xref": ["CHEMBL.TARGET:CHEMBL2335"], "id": "UniProtKB:P42785", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protease serine 11D", "xref": ["CHEMBL.TARGET:CHEMBL1795138"], "id": "UniProtKB:O60235", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501701", "category": ["biolink:ChemicalEntity"], "name": "N,N-HEXAMETHYLENEAMILORIDE", "xref": ["InChIKey:RQQJJXVETXFINY-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1nc(Cl)c(N2CCCCCC2)nc1N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4212068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKUTIAECDVFLJ-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1nc(-c2cncnc2)c(N2CCCCCC2)nc1N"]}
{"name": "Transthyretin", "xref": ["CHEMBL.TARGET:CHEMBL4295539"], "id": "UniProtKB:A0A8I3NFK0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLJNYIJVUVTCT-NPTFYBNASA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)NC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(N)=O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4202685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEJHXFEIZURCB-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2ccc(Nc3ncc4c(n3)N(C)C(=O)N(c3cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc3C)C4)cn2)CC1"]}
{"name": "Activated CDC42 kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL2079848"], "id": "UniProtKB:O54967", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBZFRTJWEIHFPF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWVLMQTXUWMUII-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJKWAQGXAVDGLG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4ccc(CN5CCC(N(C)C)C5)c(C(F)(F)F)c4)ccc2C)C3)cn1"]}
{"name": "Mitogen-activated protein kinase kinase kinase kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL4295856"], "id": "UniProtKB:Q61161", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBTXCROSIHTIDC-UHFFFAOYSA-N", "SMILES:O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2ccc(O)c(F)c2)c1"]}
{"name": "Phosphotyrosine protein phosphatase ptpB", "xref": ["CHEMBL.TARGET:CHEMBL4295523"], "id": "UniProtKB:A0A0H3M0T0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:410289"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBOZQWNPQOIPA-UHFFFAOYSA-N", "SMILES:O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSUAKBVODMNSFP-UHFFFAOYSA-N", "SMILES:O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2cc(Cl)c(O)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIZPABAPBQRSM-UHFFFAOYSA-N", "SMILES:O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2cc(Cl)c(O)c([N+](=O)[O-])c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSLNSJAOMQGCJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2ccc(O)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133541", "category": ["biolink:ChemicalEntity"], "name": "ISOXAZOLECARBOXYLIC ACID", "xref": ["InChIKey:UBNWPQXLFRMMEI-GQCTYLIASA-N", "SMILES:COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2cc(C(=O)O)no2)c1"]}
{"name": "Phosphotyrosine protein phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL4295521"], "id": "UniProtKB:A0A045ISB3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1773"]}
{"name": "Alpha-crystallin A chain", "xref": ["CHEMBL.TARGET:CHEMBL4296283"], "id": "UniProtKB:P02489", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Beta-crystallin B2", "xref": ["CHEMBL.TARGET:CHEMBL4296284"], "id": "UniProtKB:P43320", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-crystallin C", "xref": ["CHEMBL.TARGET:CHEMBL4296285"], "id": "UniProtKB:P07315", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-crystallin D", "xref": ["CHEMBL.TARGET:CHEMBL4296286"], "id": "UniProtKB:P07320", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOOUPCIIFDFER-GIICLEHTSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDZSNJVFAYAOQ-VOMXGJAFSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYOVQYUBPIQLF-GIICLEHTSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMSZQYXOBMKPGY-GEFITEMGSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](F)[C@H](O)C(C)(C)[C@@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMSZQYXOBMKPGY-VMDSBUDQSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](F)[C@@H](O)C(C)(C)[C@@H]1CC3"]}
{"name": "Alpha-crystallin B chain", "xref": ["CHEMBL.TARGET:CHEMBL3621022"], "id": "UniProtKB:P02511", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPKWRMAZWAGJN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CC(O)c3ccc(-n4cccn4)cc3)c([N+](=O)[O-])c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKAISUQVURBGLZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CC(O)c3ccc(-n4cncn4)cc3)c([N+](=O)[O-])c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPKWRMAZWAGJN-NRFANRHFSA-N", "SMILES:Cn1cc(-c2ccc(C[C@H](O)c3ccc(-n4cccn4)cc3)c([N+](=O)[O-])c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKAISUQVURBGLZ-FQEVSTJZSA-N", "SMILES:Cn1cc(-c2ccc(C[C@H](O)c3ccc(-n4cncn4)cc3)c([N+](=O)[O-])c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPABDJNWSXGPM-HZWOCANUSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCEAINQCXPGEMW-PGLBAVTESA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISZXEMUWHQLLTC-LSIVYLFASA-N", "SMILES:CO[C@H]([C@@H](C)[C@H]1O[C@]1(C)C[C@H](C)/C=C/C=C(\\C)[C@H]1O[C@@H](CC(=O)O)CC[C@@H]1C)[C@@H](C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4217371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPSNUKYKXLTUSI-QHCYMRRYSA-N", "SMILES:COC(=O)C[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@@]2(C)O[C@@H]2[C@H](C)[C@@H](OC)[C@@H](C)OC(C)=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4212417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUXZQOPGNPGYQX-ZIMUOAFSSA-N", "SMILES:COC(=O)C[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@@]2(C)O[C@@H]2[C@H](C)[C@@H](OC)C(C)=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2288585", "category": ["biolink:ChemicalEntity"], "name": "HERBOXIDIENE METHYL ESTER", "xref": ["InChIKey:HMHMUCAMCRPACN-DGJNZOEVSA-N", "SMILES:COC(=O)C[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@@]2(C)O[C@@H]2[C@H](C)[C@@H](OC)[C@@H](C)O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4206225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKURBKJOQAGHW-VQHVLOKHSA-N", "SMILES:CC(C)(C)C(=O)OCOP(=O)(/C=C/CN(O)C=O)OCOC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJNDXCQXPPNTP-CNSBNWOLSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNPOXOGRLMLJCX-NTUHNPAUSA-N", "SMILES:COC(=O)CNP(=O)(CC/C=C(\\C)CO)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLAPQSNZDWCBOC-RIYZIHGNSA-N", "SMILES:CCOC(=O)CNP(=O)(CC/C=C(\\C)CO)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHIPDCBCPUGHS-OVCLIPMQSA-N", "SMILES:C/C(=C\\CCP(=O)(NCC(=O)OC(C)C)Oc1ccccc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYDVADCXLXGVTP-VIZOYTHASA-N", "SMILES:COC(=O)CNP(=O)(CC/C=C(\\C)CO)Oc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJPHFBRZEVWBDP-LZYBPNLTSA-N", "SMILES:CCOC(=O)CNP(=O)(CC/C=C(\\C)CO)Oc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQRGJTOBHNIMLK-CAOOACKPSA-N", "SMILES:C/C(=C\\CCP(=O)(NCC(=O)OC(C)C)Oc1cccc2ccccc12)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNYPAMETXOANG-GIDUJCDVSA-N", "SMILES:COC(=O)CNP(=O)(CC/C=C(\\C)CO)Oc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBSLIKPRUCONCT-FRKPEAEDSA-N", "SMILES:CCOC(=O)CNP(=O)(CC/C=C(\\C)CO)Oc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZAJPIFIKQLZHC-REZTVBANSA-N", "SMILES:C/C(=C\\CCP(=O)(NCC(=O)OC(C)C)Oc1ccc2ccccc2c1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491174", "category": ["biolink:ChemicalEntity"], "name": "PRUNETIN", "xref": ["InChIKey:KQMVAGISDHMXJJ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4203733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXDDSHXUGVBBOJ-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQDQIRCHYJZDPW-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(N3CCNCC3)n(Cc3ccc(F)c(Cl)c3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOBDXKQAONLORV-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRYJQRNCCMWFK-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CCNCC3)nc3ccc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYWIIQFTVKZTC-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CCNCC3)nc3c(-c4ccccc4Cl)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFVPHKBLSOUIV-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CCNCC3)nc3c(N4CCN(C)CC4)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAPZSPOPEHSYOZ-FQEVSTJZSA-N", "SMILES:Cc1cc(Cn2c(N3CCNCC3)nc3c(N4CCC[C@H]4CN)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRHUUKAYZCVNAR-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CCNCC3)nc3c(-c4cncnc4C)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNYIZKTQHYZRL-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CCNCC3)nc3c(-c4cncnc4C(C)C)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVULJAPKAMXBBJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CCNCC3)nc3c(-c4c(C)n[nH]c4C)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFRTZXGUDBJNN-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CC4(CNC4)C3)nc3c(-c4ccccc4Cl)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAKAQXLRQWXXOB-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CC4(CNC4)C3)nc3c(-c4cncnc4C)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHMANSGNZEDBM-UHFFFAOYSA-N", "SMILES:Cc1ncncc1-c1cc(Cl)cc2c1nc(N1CC3(CNC3)C1)n2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTYVJMJFGDEBA-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CC4(CNC4)C3)nc3c(-c4cnc(N)nc4C)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXNBGIHYWKLAR-UHFFFAOYSA-N", "SMILES:Cc1nc(N)ncc1-c1cc(Cl)cc2c1nc(N1CC3(CNC3)C1)n2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZAQUXBYYOGFA-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CC4(CNC4)C3)nc3c(N4CCN(C)CC4)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYRAJGTUGUYGY-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(N3CC4(CNC4)C3)nc3c(-c4c(C)n[nH]c4C)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYJFYNIDQGHLG-CUTBMMIJSA-N", "SMILES:CCCc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4213590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTPJGVVTKHDAKA-KTLGGQSLSA-N", "SMILES:CCCc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4212332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUSMXLYARPCKI-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1c(C)cc2ccccc21"]}
{"name": "Kallikrein-6", "xref": ["CHEMBL.TARGET:CHEMBL4448"], "id": "UniProtKB:Q92876", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWHVQGGLXPNNBI-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSFUPONMMJGPSV-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2[nH]c(C)c(CC(=O)OCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEDWSHMWZTWNOA-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2c(CC(=O)OCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)c(C)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSEVBNPAVKLWFQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2[nH]ncc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFZZNNFORDXSV-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(C=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4213859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIONBIHHASHFTL-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(CCc3ccccc3)c(SCc3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFCQEJKKOQOJJM-TTYFGDPKSA-N", "SMILES:C/C=C(\\C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)NCCO)C(=O)N[C@H]2CC[C@@H](OC)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)O[C@@H]1C"], "chembl_natural_product": true}
{"name": "Chymotrypsinogen A", "xref": ["CHEMBL.TARGET:CHEMBL3314"], "id": "UniProtKB:P00766", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLYBZKNHQIPPD-PMERELPUSA-N", "SMILES:CC[C@@]1(OC(=O)CNC(=O)CCC(=O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(ccc4oc(C(C)C)nc43)nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQLWGNDNRARGE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C1CC(O)C(CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPLABWTLRGNGG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)C(=O)c2ccc(NCc3ccc(C#N)cc3)cc2OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLIMAKIIZJRNGG-UHFFFAOYSA-N", "SMILES:CCc1nc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRSZXKWSKIFCV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc2cc(F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAIZZVVLWQFCSZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1[nH]c2ccccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTOPEFGKFLADU-ZPUQHVIOSA-N", "SMILES:O=C(O)/C=C/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUOGSZBWLCLRBZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCOc1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGHHBHPDDAGGO-JTTRWUFTSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCCCOCCCOc2ccc(Nc3ncc(Br)c(NCCCN(C)C(=O)C4CCC4)n3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBBDKEHQTOTGRO-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccc3nc(-c4n[nH]c5ccc(NC(=O)C6CC6(F)F)cc45)[nH]c3c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMIBRDKTVSNOE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1)C1CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198075", "category": ["biolink:ChemicalEntity"], "name": "CRYPTOPLEURINE", "xref": ["InChIKey:RSHYSOGXGSUUIJ-OAHLLOKOSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCCCN1C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2164799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNGIXIUEFVKHFX-CABCVRRESA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@@H](O)CCN1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNGIXIUEFVKHFX-HUUCEWRRSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@H](O)CCN1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHTBCPPXWPNYSU-CABCVRRESA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CC[C@H](O)CN1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHTBCPPXWPNYSU-HUUCEWRRSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CC[C@@H](O)CN1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3215635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHKUWQQAHRIJH-UTLKBRERSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CNCCN1C3.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRAATPDOXVZVKX-CQSZACIVSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCOCN1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAUIBEGWABIVCD-MRXNPFEDSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCCCCN1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZSPVXZCWLSJCY-INIZCTEOSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(C2CC2)CN1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPBYBJFFDNNUKE-OAHLLOKOSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCOCCN1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWABWEIXJKCMFO-MRXNPFEDSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCN(N(C)C)CN1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGFVRWUUXFSDN-ZYVKZGOESA-N", "SMILES:O=C1C(CCCCN[C@@H]2C[C@H]2c2ccccc2)C(=O)N(c2ccc(-c3ccccc3)cc2)CCN1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVUHBYOVHRXFD-OFHZKPQBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CCCCCOc1c(/N=N/c2cc(OC)c(/N=N/c3ccc([N+](=O)[O-])cc3)cc2OC)cc2c3c1CCCN3CCC2)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O"]}
{"name": "Matrix metalloproteinase-14", "xref": ["CHEMBL.TARGET:CHEMBL4295783"], "id": "UniProtKB:P53690", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "72 kDa type IV collagenase", "xref": ["CHEMBL.TARGET:CHEMBL3095"], "id": "UniProtKB:P33434", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLMPPMDMUNIIJG-BZFREQKHSA-O", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CCCN(C)c1ccc(/N=N/c2ccc3nc4ccc(N(CC)CC)cc4[n+](-c4ccccc4)c3c2)cc1)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMMSFGBCEFGLGU-AFNMEVCQSA-O", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)COCCOCCNC(=O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CCCN(C)c1ccc(/N=N/c2ccc3nc4ccc(N(CC)CC)cc4[n+](-c4ccccc4)c3c2)cc1)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVUPFPBHORMUGH-WHOAQDQTSA-O", "SMILES:C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CCCN(C)c1ccc(/N=N/c2ccc4nc5ccc(N(CC)CC)cc5[n+](-c5ccccc5)c4c2)cc1)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBHGAKRFCKNMOQ-HDKUHGAYSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CCCCCOc1c(/N=N/c2cc(OC)c(/N=N/c4ccc([N+](=O)[O-])cc4)cc2OC)cc2c4c1CCCN4CCC2)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWRLHFZIBPMPTE-GBURMNQMSA-N", "SMILES:C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJGOUVOPNCPAW-WJSKBJFBSA-N", "SMILES:C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4OC[C@@]5(CC[C@@H](O)C=C45)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL352837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDGUBXOBXSPVHJ-LXVLQKCJSA-N", "SMILES:C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRFOYFNLANZCQ-BHYUGXBJSA-N", "SMILES:C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKONQSZPJPVDCR-OEXCTWSXSA-N", "SMILES:C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H]5C[C@]4(CO5)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKONQSZPJPVDCR-IBESOUQSSA-N", "SMILES:C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]5C[C@]4(CO5)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLYSGAPEKJSCL-UHFFFAOYSA-N", "SMILES:CCOCCOc1nc(-c2ccc(C(=O)O)cc2)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZNHBLQJUPPIB-UHFFFAOYSA-N", "SMILES:Cc1sc(-c2ccc(C(=O)O)cc2)nc1-c1ccc2c(c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFYDJJSFHIMKO-LSDHHAIUSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(OC(=O)OC(C)(C)C)cc1"]}
{"name": "Lysine-specific histone demethylase 1A", "xref": ["CHEMBL.TARGET:CHEMBL4295874"], "id": "UniProtKB:Q6ZQ88", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITVJPYUOAZKPN-PBMBQWDMSA-N", "SMILES:COC1=CC(=O)/C(=C(\\C=C\\c2ccccc2)OC)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4228601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHZIVXQKINVAO-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(C4=Nc5cscc5NC(=O)C4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXZGKHQTGOWDLQ-PEGXCLLXSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)COc1ccc(F)c(Cl)c1)C(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMDHJFJOXRIVNH-JZPYIPNMSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GORMTZMWODPVQQ-HQJALMKVSA-N", "SMILES:C#CCCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCO)NC(=O)[C@H](CCCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)COc1ccc(F)c(Cl)c1)C(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCO)NC(=O)[C@H](CCCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)COc1ccc(F)c(Cl)c1)C(C)C)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGUUKJODYFDFX-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1cc(-c2ccc3ncnc(NCCN(C)C)c3c2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPHHXLSHLLKNZ-SQKRYUCKSA-N", "SMILES:C[C@@]12C=C(C(=O)O)C[C@H]1[C@@H]1CCc3cc(O)c(C45CC6CC(CC(C6)C4)C5)cc3[C@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEAAWSWDEJREJY-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(-c2cccc(Br)c2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHPXVAOJHTCRU-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(Nc1cccc(Br)c1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZEXGCXFOXXFKH-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2c1cc(C#N)c(=O)n2-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTJPVFMDSREIW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(Nc3ccc(NC(=O)CN4CCCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKZBQRUAFZCAOJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)NCCN2C(=O)C(c3ccc(O)cc3)=C(c3ccc(F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHALLZRANZTBIT-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)NCCCN2C(=O)C(c3ccc(O)cc3)=C(c3ccc(F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMAWOXNGBRCRA-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(O)cc2)=C(c2ccc(F)cc2)C(=O)N1CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDKLOINTUKKDW-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(O)cc2)=C(c2ccc(F)cc2)C(=O)N1CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGFQKUOCJABPRE-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCCN2C(=O)C(c3ccc(F)cc3)=C(c3ccc(OCC(=O)NCC(=O)NCC(=O)O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIUAPXVGFVMWDV-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)NCCCCN2C(=O)C(c3ccc(F)cc3)=C(c3ccc(OCC(=O)NCC(=O)NCC(=O)O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPINQTLGWZWVOX-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(O)cc2)=C(c2ccc(F)cc2)C(=O)N1CCC(O)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQVZTWOZSOUXDE-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2314043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWPKGSNVVQTUMS-UOWOHEGISA-N", "SMILES:CC(=O)Oc1cc(C)c2c(c1C)[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4169610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUHEWUUPDYPPJ-DHUIEDIVSA-N", "SMILES:Cc1cc(OCc2ccccc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJHDMGJURBVLLE-XJFVKYJOSA-N", "SMILES:CC1=C2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2314044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKGXNSQDUJSAU-YLGCSUCGSA-N", "SMILES:Cc1cc(O)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4228789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGDSYTFZSOYDTM-ADAARDCZSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]Cc2ccccc2C(F)(F)F)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"name": "Serine/threonine-protein phosphatase PP1-beta catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL4546"], "id": "UniProtKB:P62140", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOMFDIRJMOUEY-ADAARDCZSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]Cc2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQHWINSOUSAOR-XTKLYQKXSA-N", "SMILES:Cc1ccc(CNc2c(NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c(=O)c2=O)cc1"]}
{"name": "ADP-ribose glycohydrolase MACROD1", "xref": ["CHEMBL.TARGET:CHEMBL4295934"], "id": "UniProtKB:Q9BQ69", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDVAANOVMDZMW-DRIBAISHSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNc2c(NCc3ccncc3)c(=O)c2=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOGUMDUUNCFKE-KKSWQLCSSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRNWOUGRCWSEMX-ZIXUEBECSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4228576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIKQTIUGPSGCNZ-UHFFFAOYSA-N", "SMILES:N#CC1(NC(=O)c2cc([N+](=O)[O-])c3cccnc3c2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJBLNNZTJNTACO-UHFFFAOYSA-N", "SMILES:N#CCN(Cc1ccccc1)C(=O)c1ccc2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDOPTNLWFMUNFY-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1cc([N+](=O)[O-])c2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPACLZTPMHPLB-UHFFFAOYSA-N", "SMILES:Cc1ccc2c([N+](=O)[O-])ccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGWSRLSPWIEMLQ-YTFOTSKYSA-N", "SMILES:CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4229256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJPVFBTGOGQGN-UHFFFAOYSA-N", "SMILES:C#CCOc1nc2cccc(Cl)c2c(=O)o1"]}
{"name": "Rhomboid protease GluP", "xref": ["CHEMBL.TARGET:CHEMBL4295579"], "id": "UniProtKB:P54493", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:224308"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADYKDKDIASNEB-UHFFFAOYSA-N", "SMILES:C#CCCCc1nc2cccc(Cl)c2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BERCHRNTEYSXQP-UHFFFAOYSA-N", "SMILES:C#CCCCc1nc2cccc(C)c2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWRNHBVTTMGQEJ-FGNKANOHSA-N", "SMILES:Cl.Cl.c1ccc2c(c1)CN(c1nc3ccc(C4=NCCN4)cc3s1)/C2=N/c1nc2ccc(C3=NCCN3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGODDPKLLOQJFV-QYDVPGEISA-N", "SMILES:CC(C)NC(=N)c1ccc2nc(/N=C3\\c4ccccc4CN3c3nc4ccc(C(=N)NC(C)C)cc4s3)sc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGULLLASCPTXHB-QBYVIVNCSA-N", "SMILES:Cl.Cl.c1ccc2c(c1)CN(c1nc3ccc(C4=NCCN4)cc3[nH]1)/C2=N/c1nc2ccc(C3=NCCN3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFSYYCBWJVJJGS-UMDCIIBGSA-N", "SMILES:CC(C)NC(=N)c1ccc2nc(/N=C3\\c4ccccc4CN3c3nc4ccc(C(=N)NC(C)C)cc4[nH]3)[nH]c2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQSUCSDIXQGCEO-UHFFFAOYSA-N", "SMILES:Cl.O=C1c2ccccc2CN1c1nc2ccc(C3=NCCN3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKYTQXRJILJKS-UHFFFAOYSA-N", "SMILES:CC(C)NC(=N)c1ccc2nc(N3Cc4ccccc4C3=O)sc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLYOUHZDXWOHW-DURBRWELSA-N", "SMILES:Cc1cn([C@@H]2C[C@H](C3(c4ccc(NC(=O)CCCCCCC(=O)NO)cc4)SCCCS3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLYOUHZDXWOHW-PVTPYKNESA-N", "SMILES:Cc1cn([C@H]2C[C@H](C3(c4ccc(NC(=O)CCCCCCC(=O)NO)cc4)SCCCS3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGRVMTGNRVNIEL-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEHKXKVQGJXAFE-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)NCCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOMLUSLANLTLK-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)NCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRDUJSGNQFEPX-UHFFFAOYSA-N", "SMILES:CCCCCCCCNC(=O)Cc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSMUIBFQYJFOC-FNORWQNLSA-N", "SMILES:CC(C)/C=C/CCCCC(=O)NCc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4224856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRBNANVNMAJTF-UNMCSNQZSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOBRQXITLOLKK-RDPSFJRHSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCO[C@@H]4O)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRNFIPSLSYTBH-UNMCSNQZSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCC[C@@H]4O)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMFFSCCFQNKDG-MEMLXQNLSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CC[C@H](O)CC4)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCICOSGPPRRUAL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)NC4CCCCC4)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSYQMAUAGRDEK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)NC4CCOCC4)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUQFRSXDYAARA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)NC4CCNCC4)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZROQNGMCRICT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)NC4CCC(=O)CC4)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWWUNIBQARUMY-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N4CCNCC4)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYXLPZQHJDXNO-GMAHTHKFSA-N", "SMILES:Cn1cc(-c2ccc(Cn3nc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ccccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHXIUXTVAVADKO-ZCYQVOJMSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ccccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVBKZXGVZIQPQ-UPVQGACJSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4c(F)cccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDIWLYNTIWZIM-UPVQGACJSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4c(Cl)cccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSCWDMKGAJBJKU-UNMCSNQZSA-N", "SMILES:COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZJZKTSOKMOVJU-FPOVZHCZSA-N", "SMILES:NC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMOKZHPNRHAVNS-GMAHTHKFSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXDCUNWXTBYPDA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(N)=O)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGJXQIIMSYRNEP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(Cc2ccc(-c3cnn(C)c3)cc2)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSWEONTMLIMPP-VXKWHMMOSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4N)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTVWDRSMFWFCMJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(Cc2ccc(-c3cnn(C)c3)cc2)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWDDZIGCHODLSX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cn3cc(C(=O)N4CCCC4)c4ncccc43)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMESDCFVSCNOKG-UHFFFAOYSA-N", "SMILES:CCCC(C)N1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1"]}
{"name": "DCN1-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4295866"], "id": "UniProtKB:Q6PH85", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXJUWTXAZDKOF-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHJABWIKCBGMC-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXHIXNILLIHAD-GSQNWKFSSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXVHJJQZDFXXSX-RYRFZZQPSA-N", "SMILES:CC[C@@H](C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJTQIJXDBHCCSO-CNLSUPOJSA-N", "SMILES:CC[C@@H](C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UURCNFMOUYLTAP-PPZNNJKBSA-N", "SMILES:CC[C@@H](C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMCTMCGJGPUDB-UHFFFAOYSA-N", "SMILES:Cl.O=C(CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)N1CCNCC1"]}
{"name": "DNA repair protein REV1", "xref": ["CHEMBL.TARGET:CHEMBL4295973"], "id": "UniProtKB:Q9UBZ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMPDOKFXIRANI-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)CCc2cc(I)c(Oc3ccc(O)cc3)c(I)c2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMYGHKBQYJABNW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1474314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVGVYDCVFBGALZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2cccc(NC(=O)c3ccc(OC(C)C)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUXZSJDTRWADJV-UHFFFAOYSA-N", "SMILES:CSc1c(C(=O)c2ccc(Br)cc2)c(N)c2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSSOTGWHADUQL-TVNSMHFRSA-N", "SMILES:O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYLDXUQKMYZYRY-GTCCRCNRSA-N", "SMILES:C/C1=C\\C(=O)C/C(C)=C/C(C)[C@]2(C)CC[C@](O)(C(C)C)[C@H]2CC1"]}
{"name": "Transcription factor E3", "xref": ["CHEMBL.TARGET:CHEMBL4295726"], "id": "UniProtKB:P19532", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLYFQRAETMHMGW-OQHYURDOSA-N", "SMILES:C/C1=C/C(=O)C/C(C)=C/C[C@]2(C)CC[C@](O)(C(C)C)[C@H]2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGDBFOWOKKBKB-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(CN1CCCCC1)cn2Cc1ccccc1"]}
{"name": "Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform", "xref": ["CHEMBL.TARGET:CHEMBL4284"], "id": "UniProtKB:P63151", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEVRQNHCANGOFM-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(CN3CCCCC3)c3cc(C)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFHXUOVTYQSVHV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(CN1CCCCC1)cn2Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRAFONLWYFRVHP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(CN1CCCCC1)cn2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQKRAVOXNXTHEY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(CN1CCCCC1)cn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJXLGUSQKIEGG-VLRDDJHDSA-N", "SMILES:COc1cc2c(O[C@@H]3OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4225504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZXXMGFJLMMPML-YXPSQANSSA-N", "SMILES:COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OC)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4226342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEUPVNIPBSNYQL-JEHIEQBDSA-N", "SMILES:COc1cc2c(O[C@@H]3O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVSSMKVJURCCV-NRFANRHFSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc([N+](=O)[O-])n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSZNXSPSRXHQE-UHFFFAOYSA-N", "SMILES:NC(=O)N1c2ccccc2C=Cc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIYIOAGQUXPKLT-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1N(C(N)=O)c1ccccc1C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRORGANRGGJDK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXGURTZSMESRQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)OCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWIZCVASGWOEY-CZZKCPPWSA-N", "SMILES:Cl.Cl.NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOFSYUGAGGTVIT-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPMYHUHQBHMDA-UHFFFAOYSA-N", "SMILES:CCCCNc1cccc(NC(=O)c2ccccc2Br)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRVNIGIAFOOHJJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Oc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVROHIHHTSFVPB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nn(Cc3ccc(C(=O)NC4CCCCC4)cc3)c(=O)c3ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVQSZXIVEQECJQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONCRMOXJCSLZOT-UHFFFAOYSA-N", "SMILES:Cc1nc2c([nH]1)C(=O)C(Cl)=C(Nc1cc(F)cc(F)c1)C2=O"]}
{"name": "Genome polyprotein", "xref": ["CHEMBL.TARGET:CHEMBL4295564"], "id": "UniProtKB:P03303", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:12131"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGSFLQGLVVBUEU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC2=C(Cl)C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4246655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKVJQSCYLIOFEN-NRFANRHFSA-N", "SMILES:O=S(=O)(c1cncc2ccccc12)N1CCC[C@H]1CCN1CCN(c2nsc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONRHLIZUOXAKG-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1ccc(-c2nc(-c3ccncc3)cn2O)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWVOHJOHQOHBMB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN(CCN(C)C)C(=O)c3cccnc3)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4239727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NICDQAITWQJICK-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)CCCc1ccc(OCCCNC(C)=O)c(CCCC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4242434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHMNZRXDAGSMI-FMIVXFBMSA-N", "SMILES:CCOC(=O)c1ccc(N2C/C(=C\\c3ccc([N+](=O)[O-])o3)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4251415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INQUXDDGDLVZSG-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)CCCc1ccc(OCCCNC(=O)c2ccccc2)c(CCCC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENTXIZXVUENAO-UHFFFAOYSA-N", "SMILES:Clc1ccc(SCc2n[n-]c(-c3ccc(Cl)cc3)n2)cc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4246869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGHSRZVZYUMIT-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccc(CNCC3CCNCC3)o2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIONHVPTYTSHZ-DEOSSOPVSA-N", "SMILES:CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIHQVIISEZJDMQ-QFIPXVFZSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4251063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUEUHCXDPJPPIF-QFIPXVFZSA-N", "SMILES:O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWZQIAVNWRLLK-IBGZPJMESA-N", "SMILES:CC(C)NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJJTGGBJDFHAC-DEOSSOPVSA-N", "SMILES:O=C(NCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEGFYDRTTOAMDC-QFIPXVFZSA-N", "SMILES:O=C(Nc1ccc(F)cc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKWVCOGNWIZMO-QFIPXVFZSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4250902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTZFBQFOICKJLC-QHCPKHFHSA-N", "SMILES:COC(=O)Nc1ccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWRKYJBCLUXFOY-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc(Cl)c(-c3ccccc3)c(Oc3ccc(OCCN4CCCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAIBQQTUBXORG-UHFFFAOYSA-N", "SMILES:Oc1noc2cccc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHFPVRYYJGAJY-SFHVURJKSA-N", "SMILES:O=C(NCCc1ccc(O)cc1)[C@@H]1CCC2=Nc3ccc(Br)cc3CN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWAXPZCUFIKMTQ-BOSPYUDASA-N", "SMILES:COc1cc(/C=C/C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4243171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUVMRGNIYQUDAM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2ccc(OCc3cc(F)cc(F)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGJGIOOBPNKGFL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4245047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIJSTRADXCZEDG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMCZRZJTAXSCBT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4237449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEODGXYWIGASDE-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(CNc3cccc(C(=O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4251479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJORTGNWXUOEZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4242470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRSXZXWODQYAZ-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1cccc(NCc2ccc(OCc3cc(F)cc(F)c3)cc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYHPANMOZQEOFY-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1cccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSBSLXUFXAHEI-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(CNc3cccc(OC(C)(C)C(=O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4250091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFNRSUOYRCZTAD-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1cccc(NCc2ccc(OCc3ccccc3)cc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDXUMMIEQQIQT-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(CNC(=O)COCC(=O)NCc5ccc(-c6cnc7[nH]cc(C(=O)c8c(F)ccc(NS(=O)(=O)CCC)c8F)c7c6)cc5)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4237480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIBKDKVYIBWUMX-UHFFFAOYSA-N", "SMILES:COCCOCC(=O)Nc1nc2ccc(Oc3ccc(F)c(NC(=O)Cc4cccc(C(F)(F)F)c4)c3)c(C#N)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INNXWBBSCJMXOK-UHFFFAOYSA-N", "SMILES:N#Cc1c(Oc2ccc(F)c(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)COCCOCCOCC(=O)Nc3nccs3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4246643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CULUGNQEGFYFLV-UHFFFAOYSA-N", "SMILES:N#Cc1c(Oc2ccc(F)c(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)COCCOCCOCCOCCOCC(=O)Nc3nc4ccc(Oc5ccc(F)c(NC(=O)Cc6cccc(C(F)(F)F)c6)c5)c(C#N)c4s3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFKUJDRGJSAQB-UHFFFAOYSA-N", "SMILES:N#Cc1c(Oc2ccc(F)c(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)C3CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4237925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGSDOEMLWKEWSV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCN(c2cccc3[nH]ccc23)CC1"]}
{"name": "Aspartate aminotransferase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL2189139"], "id": "UniProtKB:P17174", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMHXSDZATHMDSN-UHFFFAOYSA-N", "SMILES:CC(C)CCc1c(NC(=O)CCl)cc(C(=O)Nc2cccnc2Cl)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJUJLJMZFWPAPV-UHFFFAOYSA-N", "SMILES:CC(C)Cc1c(NC(=O)CCl)cc(C(=O)Nc2cccnc2Cl)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIEVJERUYCAHJM-UHFFFAOYSA-N", "SMILES:CC(C)CCN(C(=O)CCl)c1cc(C(=O)N2Cc3ccccc3C2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFIPIXTQKVDIU-UHFFFAOYSA-N", "SMILES:CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMZMPRUDKBOWIY-UHFFFAOYSA-N", "SMILES:CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2ccccc2)cc(C(F)(F)F)c1"]}
{"name": "Heme oxygenase 2", "xref": ["CHEMBL.TARGET:CHEMBL2546"], "id": "UniProtKB:P30519", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPOSJMSZZQZTP-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cc(C(=O)Nc2cccnc2Cl)cc(C(F)(F)F)c1CCc1ccccc1"]}
{"name": "Cytoskeleton-associated protein 4", "xref": ["CHEMBL.TARGET:CHEMBL4296025"], "id": "UniProtKB:Q07065", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Receptor expression-enhancing protein 5", "xref": ["CHEMBL.TARGET:CHEMBL4295797"], "id": "UniProtKB:Q00765", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thioredoxin domain-containing protein 17", "xref": ["CHEMBL.TARGET:CHEMBL4295935"], "id": "UniProtKB:Q9BRA2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5'-nucleotidase domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4295945"], "id": "UniProtKB:Q9H857", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sterol carrier protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5950"], "id": "UniProtKB:P22307", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial-processing peptidase subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4295809"], "id": "UniProtKB:Q10713", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zyxin", "xref": ["CHEMBL.TARGET:CHEMBL4295832"], "id": "UniProtKB:Q15942", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4250607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMONIWBXNKKRNK-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(F)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHLIXSOWNJFDE-UHFFFAOYSA-N", "SMILES:CC(C)CN(C(=O)c1cccnc1)c1c2ccccc2c(=O)n2c1[nH]c1ccccc12"]}
{"name": "Oxidation resistance protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295901"], "id": "UniProtKB:Q8N573", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFSJTWMNIHALI-BQYQJAHWSA-N", "SMILES:C=C1CCCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4239589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSGVVKAVMYZNFC-AATRIKPKSA-N", "SMILES:C=C1CCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKGDVZOYKJELE-CMDGGOBGSA-N", "SMILES:C=C1CCCCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL579952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNLLDSOHQDJGOG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nn3ncccc3c2-c2ccnc(Nc3cccnc3)n2)c1)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL545839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKAUDBYYFLZJL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4246519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZXYAXZHOIKSIC-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc(Nc2ccnc3cc(-c4ccccn4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOADXAAWRGMPGF-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL587965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHLCKMEVWGDGL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBAYIVBRKSERFP-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2ccnc3cc(-c4ccncc4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251549", "category": ["biolink:ChemicalEntity"], "name": "GW782612X", "xref": ["InChIKey:NQHLFCVNEBJHOT-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218088", "category": ["biolink:ChemicalEntity"], "name": "GW435821X", "xref": ["InChIKey:WJVCASAEBZAPDS-ONEGZZNKSA-N", "SMILES:Cc1cc(O)cc(C)c1/C=C/c1cncc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLWBRXUDBZZHQ-HNNXBMFYSA-N", "SMILES:COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(C(C)(C)C)nc3n2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYUQCCMUDLPIU-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOWRWYJROPLCDP-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(CCC(=O)NO)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFCECCDOLQMML-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(-c4cn(CCCCCC(=O)NO)nn4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBCLCDFGNQRINO-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(-c4cn(CCCCCC(=O)NO)nn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLAZVHNEACXAA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(-c2cccc(Nc3c4ccccc4nc4ccccc34)c2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXAXSXHMEURGFW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(-c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4251261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYILNICPRFVKC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(-c2cccc(Nc3c4ccccc4nc4ccccc34)c2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4237410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NADNYELKQFTDJV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(-c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDTMCLBMNNMTNO-TYDXHICZSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CNCCCOCCCCOCCCN)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJVZQZWZITECI-MHTDFPPDSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CNCCCNCCNCCCN)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZASBEFUPQBECK-GEYQZXRLSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CNCCCNCCCNCCCN)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4242591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBAIJCVHIHPKQR-YZCUKXFTSA-N", "SMILES:CNCCCNCCCCNCCCNCC(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIWMKHWVVWVNH-PCULNXKLSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CNCCCNCCCCN)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUZMJDHDPVKFJN-TYDXHICZSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CNCCCNCCCCNCCCN)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXZDKAUABMFJK-VCJXSUFBSA-N", "SMILES:c1ccc(-c2ccc(/N=C3\\CCC[C@@H]4[C@H]5CCCN6CCC[C@H](CN34)[C@@H]56)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETHRKWPGIPNOD-RSLQCYLQSA-N", "SMILES:Brc1ccc(/N=C2\\CCC[C@@H]3[C@H]4CCCN5CCC[C@H](CN23)[C@@H]45)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4246502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLOOJWCTFRPSJ-YKHKRFOZSA-N", "SMILES:COc1ccc2nc3c(c(N)c2c1)CC[C@@H]1[C@H]2CCCN4CCC[C@H](CN31)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOCNDOHGCGTRO-UYRXBGFRSA-N", "SMILES:COc1ccc2c(c1)C/C(=C/c1ccccc1-c1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCNYIUXDHNUNU-UYRXBGFRSA-N", "SMILES:COc1ccc(-c2ccccc2/C=C2/Cc3cc(OC)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4242359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPSKYNKEQAAUJV-HAHDFKILSA-N", "SMILES:COc1ccc2c(c1)C/C(=C/c1ccccc1-c1ccc3ccccc3c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRVMVHDNABIRIF-MOSHPQCFSA-N", "SMILES:COc1ccc2c(c1)C/C(=C/c1ccccc1-c1ccc3nc(N)ccc3c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIWTTNRVIMZIP-MOSHPQCFSA-N", "SMILES:COc1ccc2c(c1)C/C(=C/C1CCN(Cc3ccccc3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4250128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFQRDMPFWSIQCE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2cccc(CC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKVHMJEAQCCFP-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc(CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4237565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMCSUKQRLAWJT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccco2)ccc1O"]}
{"name": "2-Hydroxyacid oxidase 1", "xref": ["CHEMBL.TARGET:CHEMBL4295985"], "id": "UniProtKB:Q9WU19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDCRZKVSUNPUOT-BBOLAEISSA-N", "SMILES:CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](NC(=O)c5c(C)noc5C)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZNXOLRJQYIWAH-PKWCJPJFSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C(/C)O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUWNRPQGVLQRY-PHEQNACWSA-N", "SMILES:C(=C/c1cc(/C=C/c2ccccc2)[nH]n1)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4239967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXAJQDRKYDJZTG-HLIDSJDTSA-N", "SMILES:O=C(/C=C/c1ccccc1)/C(CCCC1C(=O)c2ccccc2C1=O)=C(O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZJFBKOUHBFQM-OCPBWFIYSA-N", "SMILES:O=C(/C=C(O)/C=C/c1ccccc1)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGOSHJBAMDLIOZ-YLEMAHFPSA-N", "SMILES:COc1cc(/C=C/C(=O)/C(CCC2C(=O)c3ccccc3C2=O)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTUKYCUOLCOMAX-JIZRHFDASA-N", "SMILES:CCOC(=O)/C=C/C=C/C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1"]}
{"name": "Cysteine protease falcipain-2", "xref": ["CHEMBL.TARGET:CHEMBL5801"], "id": "UniProtKB:Q9NBD4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4242138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSMGEPBRPIEQKD-BBYKJUTGSA-N", "SMILES:CCOC(=O)/C=C/C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSMGEPBRPIEQKD-ULYWAXSHSA-N", "SMILES:CCOC(=O)/C=C/C(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBNMRCZBHPSJT-IBGZPJMESA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(=O)[C@@H](O)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4242962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIDVABBOOCRTCO-SFHVURJKSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(=O)[C@@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZWWDMCMVGEQX-SFHVURJKSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCOC(=O)[C@@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNNCOHQKYQIGA-INIZCTEOSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OS(=O)(=O)NC(=O)[C@@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4239793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSJFYVIFGMLJO-KRWDZBQOSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OS(=O)(=O)NC(=O)[C@@H](O)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4242283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQHGSTXHKLVHBR-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=C(c3cccc(OC)c3)c3cc(-c4ccc(C)cc4)ccc3C2=O)c1"]}
{"name": "Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3", "xref": ["CHEMBL.TARGET:CHEMBL3112376"], "id": "UniProtKB:Q96Q83", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4246014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUSCQXPQQBXGSN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(c1ccc(Cl)c(Cl)c1)=C(c1ccc(Cl)c(Cl)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4239759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXSWUJXOZNEYKE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(Cl)C(=O)c3ccc(-c4ccc(C)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQPBLJOWHOWKC-ATVHPVEESA-N", "SMILES:CC(=O)N1N=C(NC2=NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])S2)SC1(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4237922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXJPLEKIYDOIFE-YCNYHXFESA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(CCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKVAMVQMSTVXHL-JFOLFRATSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4239917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNBNVGANPREWLL-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(Nc3ccccn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRCWWKKELOIJG-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(Nc3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSSIEQWUFVKNSZ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(N)c(N)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCUAFYHLEYBWGL-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4239652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXPLYWVXJTJTM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYFXUDMIRMZMS-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(N)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPSFBSLEPSLMER-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ccc(C(C)C(=O)NCc3ccc(C(F)(F)F)nc3N3CCC(C)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHJYKGEIDRQLC-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(F)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNEUJSQUCXSRDD-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3ccnc4ccccc34)c(C)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDJGYWCNQTZLJ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(-c3ccnc4ccccc34)ccc2ncn1-c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOMNGHXGYAHJM-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4237557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZZUAFZBKEOHV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCJFYACTZIVZBB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4237800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIUPNHPXDVAAM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)cccc1-n1cnc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNOZLNNAVQPFBD-KESTWPANSA-N", "SMILES:NC(=O)c1cc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)ccn1"]}
{"name": "C-C chemokine receptor type 6", "xref": ["CHEMBL.TARGET:CHEMBL4423"], "id": "UniProtKB:P51684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWPPSSEAGEKIT-FLNCGGNMSA-N", "SMILES:C[n+]1c2c(c(N)c3ccccc31)C(=O)/C(=C/c1cccc3ccccc13)CC2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVNZGGLKJLEOS-YTTGMZPUSA-N", "SMILES:CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)CNC(=O)CCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAYBFQIOZFATTJ-PMERELPUSA-N", "SMILES:CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)CCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4246259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJLWDXXPHEJQA-DHUJRADRSA-N", "SMILES:CCc1c2c(nc3ccc(OC(=O)N4CCN(C(=O)CCCCCCC(=O)NO)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUPCVYHSLZBNIZ-LHEWISCISA-N", "SMILES:CCc1c2c(nc3ccc(OC(=O)N4CCN(C(=O)CCCCCCCCCC(=O)NO)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYDDQZHSRAXCDS-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINQCOMOQIYWTG-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(C4CO4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHVPJQTAXBUHN-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHDSZCBMWYGEK-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C3CO3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPBIIPFQQSPRU-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc(=O)n(Cc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4246969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELJHNIVCXDKQD-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C3CO3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4251258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIJOVPIWGFQZFF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXNMSKUYWUWMQF-ZDAHPACKSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC[Se]C[C@H](N)C(=O)NCc1ccc(O)c(OC)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYSMGXRWBTMRZ-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)NCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL76903", "category": ["biolink:ChemicalEntity"], "name": "OLVANIL", "xref": ["InChIKey:OPZKBPQVWDSATI-KHPPLWFESA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1"], "synonym": ["Olvanil", "Olvanilo", "NE-19550", "TCMDC-124289", "Olvanil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4239872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOESDJAEFGLIDW-RDQNCKLBSA-N", "SMILES:CCCCCC[C@@H](O)C/C=C\\CCCCCCCC[Se]CCC(=O)NCc1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4237252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGMLYRGMJHVKNC-SANMLTNESA-N", "SMILES:O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464433", "category": ["biolink:ChemicalEntity"], "name": "4',7-DIMETHOXY-5-HYDROXYGENISTEIN", "xref": ["InChIKey:DQNLRFRBAWCJHQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4293386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABVTFAPCKMYHN-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc3c(c2c1)C(CNC(C)=O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCKYGUZOGCRTFP-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc3c(c2c1)C(C)(CNC(C)=O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCENXOASTJWJCD-UHFFFAOYSA-N", "SMILES:COCC(=O)NCC1CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRXWYUUUGIBVNR-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc3c(c2n1)C(CNC(C)=O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWIINAHLXVGYLK-UHFFFAOYSA-N", "SMILES:COC(=O)NCC1CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMQNZKJECYRTM-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc3c(c2c1)C(CNS(C)(=O)=O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJEVPKOFXNDAEO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NCC1CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOFAAQPUFNQBS-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc3c(c2c1)C(CNC(N)=O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHAYNJQFWGVURE-UHFFFAOYSA-N", "SMILES:CNC(=O)NCC1CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCPYDFOYATXTFR-UHFFFAOYSA-N", "SMILES:CCNC(=O)NCC1CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJZLFDXDGHUWEY-UHFFFAOYSA-N", "SMILES:CCCNC(=O)NCC1CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPMWQKOJVVCJX-UHFFFAOYSA-N", "SMILES:CCNC(=O)NCC1(C)CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYWVNNDLZNHEAD-UHFFFAOYSA-N", "SMILES:CCCNC(=O)NCC1(C)CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTRREVTRHLLRD-UHFFFAOYSA-N", "SMILES:CNC(=O)NCC1CCc2ccc3ccc(OC)nc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMXVAZTUHQTTP-UHFFFAOYSA-N", "SMILES:CCCNC(=O)NCC1CCc2ccc3ccc(OC)nc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWMXBPNNULQCOI-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc3c(c2c1)C(CNC(N)=S)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMFHHBVYCVTTH-UHFFFAOYSA-N", "SMILES:CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTPCDWECFSPOI-UHFFFAOYSA-N", "SMILES:CCNC(=S)NCC1CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKHWJLFCQFYYNP-UHFFFAOYSA-N", "SMILES:CCCNC(=S)NCC1CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGRMJYOMLPHCE-UHFFFAOYSA-N", "SMILES:CNC(=S)NCC1(C)CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUXOPPLFBRFMC-UHFFFAOYSA-N", "SMILES:CCNC(=S)NCC1(C)CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXVVYBFJBHSBRI-UHFFFAOYSA-N", "SMILES:CCCNC(=S)NCC1(C)CCc2ccc3ccc(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEUMAXMCCDEOIJ-XYOKQWHBSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O"], "chembl_natural_product": true}
{"name": "Alternative oxidase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295594"], "id": "UniProtKB:Q26710", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDXEGMXLDBXSV-FNCQTZNRSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(O)c2)CC/C1=C\\c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHSRMSFDASMAE-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)NC(N/C(=N/C#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUZYPDHDSTGFO-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(I)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUKDVSFMDRAXML-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(c2ccccc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJMBAGIEJSKTII-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2COc2cccc(C(F)(F)F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCQLLKXWSFUGPP-UHFFFAOYSA-N", "SMILES:O=C(OC1=CS(=O)(=O)Nc2ccc(Oc3ccccc3Br)cc21)c1ccc(F)c(F)c1"]}
{"name": "Nonstructural protein 5", "synonym": ["Genome polyprotein"], "xref": ["CHEMBL.TARGET:CHEMBL4295629"], "id": "UniProtKB:V5TFZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:12637"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLPQNGYXWVELD-UHFFFAOYSA-M", "SMILES:CCOc1ccc(Nc2ccc(C(=C3C=CC(=[N+](CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3)cc2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXAMQORNXKKJC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JICJLGFRRNSIIF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(C)ccc3c(-c3cccc(N)c3)n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNUJMDQOKFSDT-WJDWOHSUSA-N", "SMILES:Cc1cc(=O)[nH]c(=O)n1/C(=N\\O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTYPTMOHHKHCRO-CVEARBPZSA-N", "SMILES:Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SASCNLRSTSEASB-CVEARBPZSA-N", "SMILES:O=[N+]([O-])c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDPKSXHDYDEAIW-CVEARBPZSA-N", "SMILES:NS(=O)(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASGPLFYUXPVXNJ-SJORKVTESA-N", "SMILES:CNS(=O)(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRULVYSBRWUVGR-YADHBBJMSA-N", "SMILES:O=C(O)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQKPOHYUFRSMV-PLHNLXLGSA-N", "SMILES:CC(C)=CC[C@@H](OC(=O)CCCC[C@@H]1CCSC(c2ccccc2)S1)C1=CC(=O)c2c(O)ccc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKRRADDPLEFMU-KPRZCBBESA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXVAQIIVMKYGT-FBTQSVADSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(C)=O)C(=O)NCc1cn([C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDPWTFSMNKHHL-CRBFSFEVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)n1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(N)cc2)nn1)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGOPEMXYZMAKER-YKPIBRNVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBPTKFKCCNXNH-JMBMPLIVSA-N", "SMILES:CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc(O)c3c(=O)c(CC=C(C)C)c(-c4ccc(O)cc4O)oc23)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4279417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPXYONGBIXGRO-QPFJYYDMSA-N", "SMILES:CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4288953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKOFCAHTEAXSJK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(NCc3ccc(C(=O)NO)cc3)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIIPWGFUTBPTNQ-UHFFFAOYSA-N", "SMILES:CCNc1cc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2C(F)(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUKDJVQRQSRGMQ-XERNUKRASA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@H](NC(=O)c3cn(-c5ccc(Cl)cc5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKYAPPNOCAKLF-RUZQMMQPSA-N", "SMILES:COc1ccc(-n2cc(C(=O)N[C@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPGGQPOOFKWSHG-XERNUKRASA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@H](NC(=O)c3cn(-c5ccc(C(F)(F)F)cc5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEULGBOLQRVNEE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2ccc(OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMGIGWPYSHBPC-UHFFFAOYSA-N", "SMILES:CN(CCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])Cc1ccc(COC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBLIWNLEXZYGN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1)Cc1no[n+]([O-])c1C#N.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSYVAKYGOAARKA-DUTGWFJESA-N", "SMILES:C[C@@H]1OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSYVAKYGOAARKA-YSROCNOXSA-N", "SMILES:C[C@@H]1OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXYYIVGCUOKWRG-JEMNADGUSA-N", "SMILES:C[C@]12CC[C@H](OC3OC[C@@H](O)[C@@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVABANWNMXGOAK-UHFFFAOYSA-N", "SMILES:O=C(Cc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCRVDFHLRIWBY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOHJNJIEYAFPMS-SKDJSMHMSA-N", "SMILES:CC[C@@H](/C=C(\\C)[C@H]1CC(=O)[C@H](O)[C@@H](OC)C[C@@H]2C[C@H](OC)[C@H](O)[C@@](O)(O2)C(C)(C)[C@H](O)C[C@@H](OC)C1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWACSHPUOALOM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccc(O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL78627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWRVIWPNCLGLT-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2ccccc12)c1cn(CCN2CCOCC2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQYDNJMRKXPES-UHFFFAOYSA-N", "SMILES:O=C(c1cn(CCN2CCOCC2)c2ccc(O)cc12)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFTVZGGGIPQOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cn(CC3CCOCC3)c3ccc(O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USRUTFMMGDBKMJ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2ccccc12)c1cn(CC2CCOCC2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4295181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQIWYFWYFDTCAU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cn(CC3CCOCC3)c3ccc(OCC(=O)O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJPFNFVEQIIUBK-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cn(CC3CCOCC3)c3c(OCC(=O)O)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXDMYMPKIVFCAN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTHEUADMDCNSL-UHFFFAOYSA-N", "SMILES:CCCOc1cccc2c(C(=O)c3ccc(OC)cc3)cn(CC3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTLDMBUAZEVQX-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCOc1cccc2c(C(=O)c3ccc(OC)cc3)cn(CC3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGALBHNNJFJVCA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cn(CC3CCOCC3)c3c(OCCCCC(=O)O)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPGRJOFVSNBPMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cn(CC3CCOCC3)c3c(OCCCCCCNC(C)=O)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYSJVXMQSXKJCN-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIZCHYKRRIKLQ-UHFFFAOYSA-N", "SMILES:CCC(N)(CC)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDDFDYJBIHXQIC-UHFFFAOYSA-N", "SMILES:CC(C)(N)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPROHUCXSLIBNO-BJMABRHOSA-N", "SMILES:CN(C/C=C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCO2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2432028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDVKUHCDPPWNR-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHAUZFDWIZFRM-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccc(CN)cc4)n(C)nc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQDHFXPGPXSPHG-OAQYLSRUSA-N", "SMILES:CN([C@H](CC(=O)O)C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSZYXOIYNDQBZ-OAQYLSRUSA-N", "SMILES:CN([C@H](CN)C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKTCNWFIDQXTMR-DEXQXJORSA-N", "SMILES:C[C@H](O)[C@H](C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYXOHGQWYWXPJB-JOCHJYFZSA-N", "SMILES:CN([C@H](CCO)C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEYUOJQQUVBNA-JOCHJYFZSA-N", "SMILES:CN([C@H](CO)C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXZCQXWWTIQDFN-JOCHJYFZSA-N", "SMILES:CN([C@H](CO)C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSBFSSVQNRTAB-OAQYLSRUSA-N", "SMILES:CN([C@H](CO)C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYUOUULDYNFUOE-JOCHJYFZSA-N", "SMILES:CC[C@H](C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVXTCKWBDHSSI-PKLMIRHRSA-M", "SMILES:C[C@H](C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFERRDICPZCXES-INIZCTEOSA-N", "SMILES:C[C@@H](C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFERRDICPZCXES-MRXNPFEDSA-N", "SMILES:C[C@H](C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLRDIJFMERWYRD-UHFFFAOYSA-N", "SMILES:CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)cc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLHPLOCDESWVLA-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)ccc1N(Cc1ccc(C2CCCCC2)cc1)C(=O)CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPNRWJWDBGDIDJ-HSZRJFAPSA-N", "SMILES:CC[C@H](C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)cc1C)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDGPIYMLYGLENB-MRXNPFEDSA-N", "SMILES:C[C@H](C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)cc1Cl)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXDYWQAFGTESV-HSZRJFAPSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRGQOLFPZXUTH-JOCHJYFZSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCCINALJLCKLP-MRXNPFEDSA-N", "SMILES:C[C@H](C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)cc1F)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVPMJOFBUGYDAV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1NS(=O)(=O)c1cc(Br)ccc1OC)OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAGIQGKUGEHHX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccs3)ccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLSLSOENGWIHL-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(-c2cn(CCc3ccsc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252642", "category": ["biolink:ChemicalEntity"], "name": "LIQUIRTIGENIN", "xref": ["InChIKey:FURUXTVZLHCCNA-AWEZNQCLSA-N", "SMILES:O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4282663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXAIRIXMQTTSE-DCFHFQCYSA-N", "SMILES:N#Cc1ccnc(N2C(=O)CC[C@H]2CC(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285848", "category": ["biolink:ChemicalEntity"], "name": "MANUMYCIN A", "xref": ["InChIKey:TWWQHCKLTXDWBD-MVTGTTCWSA-N", "SMILES:CCCC[C@@H](C)/C=C(C)/C=C(\\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4281713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOZPMRWXUYLLFS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cn3c4c(sc3n2)C(=O)CCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOUOFOBKAKPEGQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL435135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOBBXQIANXHITO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMIBJWXCPRCCDO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIQDCDYMMWWDRP-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYIQHDSRNXKCMI-TWLDFKIOSA-N", "SMILES:CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GELPKEKNUFROCT-DPYUZCOXSA-N", "SMILES:CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)Cn2cc(-c3ccc(C4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)nn2)C(C)C)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMIDHLARPIYJLA-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccco3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285883", "category": ["biolink:ChemicalEntity"], "name": "OLEANDRIN", "xref": ["InChIKey:JLPDBLFIVFSOCC-XYXFTTADSA-N", "SMILES:CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)O[C@@H](C)[C@@H]1O"], "synonym": ["Oleandrin", "Anvirzel", "Oleandrin", "NSC-692219"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4287206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUNVYXJFFGIRNO-UHFFFAOYSA-N", "SMILES:Oc1cccnc1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFCLMRMVEVKWDL-UHFFFAOYSA-N", "SMILES:CCN(C)Cc1ncccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUHNOXRMYKHCR-UHFFFAOYSA-N", "SMILES:Oc1cnc2ccccc2c1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRFNBEZIAWKNCO-UHFFFAOYSA-N", "SMILES:Oc1cccnc1"], "synonym": ["SR-1C8"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4279086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUJZPQYEUITAA-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1380070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPYLPCSLYXBQRM-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cn3c(n2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNNCNKKBHNXZED-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIZPSYLKHRSNS-UHFFFAOYSA-N", "SMILES:N=C(N)COc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEYCTCATJSAAI-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1602085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWAXYFPYNGSSKF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cn3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUELMOYHZBVAKK-UHFFFAOYSA-N", "SMILES:c1ccc(CN(CCc2c[nH]c3ccccc23)CC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4295040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHVOOJDLCVOLKI-VWLOTQADSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTTJUNKJFQKLSG-RGWZMNCVSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](Cc1cc(C)c(C(F)(F)F)cc1F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJNVAHCYXGMTQI-LGIRGXTLSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMVJEQNNFEKJU-QFIPXVFZSA-N", "SMILES:CCOC(=O)CCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4295059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFUOEMZHQWJSJL-CGAIIQECSA-N", "SMILES:CCOC(=O)CCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCSc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLIBPKMQOZZMJO-IBGZPJMESA-N", "SMILES:O=C(O)CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMEFNZHCZHNNGO-VOTSOKGWSA-N", "SMILES:CCOC(=O)/C=C/c1c(NS(=O)(=O)c2cccs2)cc2c(c1OC)OCO2"]}
{"name": "Connector enhancer of kinase suppressor of ras 1", "xref": ["CHEMBL.TARGET:CHEMBL4296242"], "id": "UniProtKB:Q969H4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEHHALAXXRNLT-DUXPYHPUSA-N", "SMILES:COc1c(/C=C/CO)c(NS(=O)(=O)c2cccs2)cc2c1OCO2"]}
{"name": "Eyes absent homolog 3", "synonym": ["Protein phosphatase EYA3"], "xref": ["CHEMBL.TARGET:CHEMBL4296244"], "id": "UniProtKB:P97480", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Eyes absent homolog 3", "synonym": ["Protein phosphatase EYA3"], "xref": ["CHEMBL.TARGET:CHEMBL4296245"], "id": "UniProtKB:Q99504", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXRQVCRRGBZHRU-NBVRZTHBSA-N", "SMILES:CCCC(NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKVQQNZHGBYGQ-KNTRCKAVSA-N", "SMILES:CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRAVJBCDQNHOSZ-SFQUDFHCSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cc(-c3ccc(OC)cc3)n3nc(-c4ccccc4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTODGYWQGNXYCE-OUKQBFOZSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cc(-c3ccc(OC)c(OC)c3)n3nc(-c4ccccc4)cc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYDSFHYDHONOLE-OUKQBFOZSA-N", "SMILES:COc1ccc(-c2cc(/C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)nc3cc(-c4ccccc4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUKHVVBFVFAEGA-INIZCTEOSA-N", "SMILES:COCc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3ccccc3n(CC(C)C)c2=O)o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL67", "category": ["biolink:ChemicalEntity"], "name": "COMBRETASTATIN A4", "xref": ["InChIKey:HVXBOLULGPECHP-WAYWQWQTSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1O"], "synonym": ["Combretastatin a-4", "2'-deoxycombretastatin a1", "Combrestatin a4", "Combretastatin 4", "Combretastatin a4", "CA4", "NSC-613729", "NSC-817373"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL454575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWKARGHAJCHTBH-JMQKIHFDSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4282750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JANBLZHPNGBWAO-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2)oc2c(ccc3ccoc32)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4293898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXFHNUKZABARSI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2cc(CC(=O)c3ccc(O)cc3O)ccc2o1"], "chembl_natural_product": true}
{"name": "Isocitrate lyase 1", "xref": ["CHEMBL.TARGET:CHEMBL4295587"], "id": "UniProtKB:P9WKK6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83331"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1497581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLROMLCJNZEAIL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL359159", "category": ["biolink:ChemicalEntity"], "name": "ITACONATE", "xref": ["InChIKey:LVHBHZANLOWSRM-UHFFFAOYSA-N", "SMILES:C=C(CC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL177837", "category": ["biolink:ChemicalEntity"], "name": "BROMOPYRUVATE", "xref": ["InChIKey:PRRZDZJYSJLDBS-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBLZUCOIBUDNBV-UHFFFAOYSA-N", "SMILES:O=C(O)CC[N+](=O)[O-]"], "synonym": ["3-Nitropropionic Acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4287946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFDSACNULZCQBB-YSPJCORJSA-N", "SMILES:CCCCOC1OCC(CNC(=N)N2C[C@@H](O)[C@H](O)[C@@H](O)C2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJKRVTGHUKNLFU-KGFUMZNHSA-N", "SMILES:CCCCCCCCOC1OCC(CNC(=N)N2C[C@@H](O)[C@H](O)[C@@H](O)C2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347862", "category": ["biolink:ChemicalEntity"], "name": "CARBOXYMETHOXYLAMINE", "xref": ["InChIKey:NQRKYASMKDDGHT-UHFFFAOYSA-N", "SMILES:NOCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4279903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFDJDPNQJQQGDI-ATVHPVEESA-N", "SMILES:CC1=NN(c2ccccc2)C(=O)/C1=C\\c1ccccc1C"]}
{"name": "Galactoside alpha-(1,2)-fucosyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL4105777"], "id": "UniProtKB:Q10981", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1502722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHQZHZDYGDEOI-UHFFFAOYSA-N", "SMILES:CCOc1c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJPVAIBCPMOZJF-IAASPCLRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"name": "Adapter molecule crk", "xref": ["CHEMBL.TARGET:CHEMBL5005"], "id": "UniProtKB:P46108", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWXVURVBKZYJJT-YGJRDZFESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWWGRFJDWPVSON-CJSHHNLHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLISKALEAULFU-UHFFFAOYSA-N", "SMILES:Cc1c(-c2c(C)c(O)c3ccccc3c2O)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1358724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARGZZNYNSYSGJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)C(C)CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4288269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURTYNPVRFEUEN-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C=CCC2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4285318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGCVXMGFLLGEJM-UHFFFAOYSA-N", "SMILES:Nc1ncc(C(=O)c2ccncc2)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSGMOYRFGJWGE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)c2cnc(N)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEVYJAMCEXHRDI-UHFFFAOYSA-N", "SMILES:Nc1ncc(C(=O)c2ccc(Cl)cc2)n1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOLNQUKHUIWOAD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2cnc(N)n2-c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJPBYUHSZCEUIS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2cnc(N)n2-c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZHLJWWXUUDQU-UHFFFAOYSA-N", "SMILES:Nc1ncc(C(=O)c2ccc(Cl)cc2)n1-c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYACJNTTOCQLS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(=O)n(C(C)C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(OC)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMEJDHMQZBPDSJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(=O)n(C(C)C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDDGIHXYBWEAR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(=O)n(C(C)C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIGPYCHUOFWTOH-UHFFFAOYSA-N", "SMILES:O=C1C(CSC(=S)N2CCCCC2)=C(CSC(=S)N2CCCCC2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATYXTVKHMLAWBZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSNTIQRYIXOEL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3N)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKRAZSCEWAHFA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3[N+](=O)[O-])cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKNUQTDMJPBUTG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3F)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZUGFKVZJMVUER-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3OC)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHXSVAFZPVIUJA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)c(N)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXRWQRMPAJOBTR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)c([N+](=O)[O-])c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOSLJEMPRGVEKD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)c(F)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAGFGARLYAPFHE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(CN3CCc4cc(OC)c(OC)cc4C3)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIZTXSYQTJENHF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)c([N+](=O)[O-])c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEWWESMQJCNFS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)c(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAXFIZLXJONRSH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)c(OC)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSURNYUOMLRKGS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)cc1[N+](=O)[O-])CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGPLUPQUIINMO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)cc1F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHONHAYDQIAZIZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(O)cc2)ccc1CN1CCc2cc(OC)c(OC)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL236789", "category": ["biolink:ChemicalEntity"], "name": "MONASTROL", "xref": ["InChIKey:LOBCDGHHHHGHFA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4288846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKULNBNAAFZPH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N(O)C(=S)NC1c1cccc(-c2ccc(OC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDOBFRNIAPVMPT-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N(O)C(=S)NC1c1cccc(-c2ccc([N+](=O)[O-])cc2)c1"]}
{"name": "Kinesin family member 11", "synonym": ["Kinesin-like protein KIF11"], "xref": ["CHEMBL.TARGET:CHEMBL4295640"], "id": "UniProtKB:F1MAB8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMCANYTDUODGS-BJMVGYQFSA-N", "SMILES:COc1ccc(C(C)=O)c(OC(=O)/C=C/c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHWFTUYZLGAFM-BJMVGYQFSA-N", "SMILES:COc1ccc(C(C)=O)c(OC(=O)/C=C/c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2271260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZXXSFNQRDLQTC-YRNVUSSQSA-N", "SMILES:Cc1ccc(C(C)C)c(OC(=O)/C=C/c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZDDDMVFPGXKW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)C[S+]([O-])CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQLKSMLPVRQRCQ-JPVIEVGHSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVEXNDHWLLVXFT-UHFFFAOYSA-N", "SMILES:CC(C)(C)N1CC(c2nc3ccccc3n2CCC2CCCCC2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYFYMFUBQILON-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cc(C(=O)O)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1359246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVWLSDCKJPYKLH-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(Cl)cc2)c(CC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTWMOMKBYLJAHK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3ccccc3Cl)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPQUYPDQNLCGNW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nnc(SCCC(=O)O)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLIMAONQZGNCN-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHPWXPNZIOZJL-UOTPTPDRSA-N", "SMILES:O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O"], "chembl_natural_product": true}
{"name": "Diphosphoinositol polyphosphate phosphohydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL4295689"], "id": "UniProtKB:O95989", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHPWXPNZIOZJL-KXXVROSKSA-N", "SMILES:O=P(O)(O)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O"], "chembl_natural_product": true}
{"name": "Diphosphoinositol polyphosphate phosphohydrolase 2", "xref": ["CHEMBL.TARGET:CHEMBL4295967"], "id": "UniProtKB:Q9NZJ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Diphosphoinositol polyphosphate phosphohydrolase 3-alpha", "xref": ["CHEMBL.TARGET:CHEMBL4295904"], "id": "UniProtKB:Q8NFP7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Diphosphoinositol polyphosphate phosphohydrolase 3-beta", "xref": ["CHEMBL.TARGET:CHEMBL4296042"], "id": "UniProtKB:Q96G61", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWHJKJBPYOMKS-XJTPDSDZSA-N", "SMILES:O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKSNHVPLWYQGJ-KQYNXXCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2159227", "category": ["biolink:ChemicalEntity"], "name": "CEMDOMESPIB", "xref": ["InChIKey:PDBWOHBMJQOBHL-WBADGQHESA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3cccc(F)c3)c2)OC1(C)C"], "synonym": ["Cemdomespib", "Cemdomespib", "Cemdomespib", "Ku-596"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRZPQRYOEZFLIS-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NNC(c3ccc(Cl)cc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDYHBYUZQGMDZ-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(=O)c3ccccc3)C(c3ccc(Cl)cc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDYDIURUKFAKP-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(c3ccc(Cl)cc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMJODMVNSKPHJ-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(=S)Nc3ccccc3)C(c3ccc(Cl)cc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNGSHREHIWLOB-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(=O)Oc3ccccc3)C(c3ccc(Cl)cc3)C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279390", "category": ["biolink:ChemicalEntity"], "name": "LAZABEMIDE", "xref": ["InChIKey:JZXRLKWWVNUZRB-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1ccc(Cl)cn1"], "synonym": ["Lazabemide", "Lazabemide", "Lazabemida", "RO 19-6327/000", "RO-19-6327/000", "RO-196327", "Lazabemide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLVNAWPSLBOHA-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(c2ncnc3[nH]nc(Cl)c23)CC1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1"]}
{"name": "L-lactate dehydrogenase B chain", "xref": ["CHEMBL.TARGET:CHEMBL3823"], "id": "UniProtKB:P00336", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYYMFBDRBSPJZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(O)cc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL269644", "category": ["biolink:ChemicalEntity"], "name": "ACETANILIDE", "xref": ["InChIKey:FZERHIULMFGESH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1"], "synonym": ["Acetanilide", "Acetanilide", "Acetaminophen related compound d", "Acetanilid", "Acetanilidum", "Antifebrin", "Antifebrinum", "Phenalgene", "NSC-203231", "NSC-7636", "Acetaminophen related compound d"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4284107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETJKGSARAIFKB-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVWNPHDOANLYNV-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZPOTLIWIHZSX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDNNXRSMLPGFR-YKXUKSTASA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAVBWUASERXROK-UNVBUFFDSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVGOMCWRXUORL-GZWBGHILSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)C2C(O)CCN2C(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N4CCC(O)C4C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C2C(O)CCN2C(=O)[C@H](CC(N)=O)NC3=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLAOSWLJHIWEOK-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(=O)c(-c3ccc(C(=O)N(C)C)cc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWJMGQTQWNJDQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(OCCCc3cn(CCOCCOc4ccc5c(=O)cc(-c6ccccc6)oc5c4)nn3)cc2)oc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20210", "category": ["biolink:ChemicalEntity"], "name": "RUPINTRIVIR", "xref": ["InChIKey:CAYJBRBGZBCZKO-BHGBQCOSSA-N", "SMILES:CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1"], "synonym": ["Rupintrivir", "Rupintrivir", "AG-7088", "AG7088", "Rupintrivir"]}
{"name": "Genome polyprotein", "xref": ["CHEMBL.TARGET:CHEMBL4295525"], "id": "UniProtKB:A0A1D8D5K2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:39054"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGCVEUDJCUNCK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+](CCC[n+]2cc(Cl)c(/C=N/O)c(Cl)c2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZQFCMJDNRLROF-QHCPKHFHSA-N", "SMILES:O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccc(F)c(F)c3)o2)cc1"]}
{"name": "Lanosterol 14-alpha-demethylase", "xref": ["CHEMBL.TARGET:CHEMBL4295599"], "id": "UniProtKB:Q385E8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:185431"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJOJASQIYIVRFH-NDEPHWFRSA-N", "SMILES:O=C(N[C@@H](Cn1ccnc1)c1cnc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZHXYQRJRDRVFA-NDEPHWFRSA-N", "SMILES:O=C(N[C@@H](Cn1ccnc1)c1c(F)cc(-c2ccc(F)cc2)cc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFDAIZREODDAGQ-DEOSSOPVSA-N", "SMILES:O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccc(OCC(F)(F)F)cc3F)o2)cc1"]}
{"name": "Putative lanosterol 14-alpha-demethylase", "xref": ["CHEMBL.TARGET:CHEMBL4295531"], "id": "UniProtKB:A2TEF2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5671"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMULGSCSMOHRS-UHFFFAOYSA-N", "SMILES:c1cc(-c2ncc(-c3ccc(-c4cnco4)cn3)o2)nc(-c2ncc(-c3ccc(-c4cnco4)cn3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMVRDHUJKDYIMS-UHFFFAOYSA-N", "SMILES:c1cc(-c2cnco2)nc(-c2cnc(-c3cccc(-c4cccc(-c5ncc(-c6cccc(-c7cnco7)n6)o5)n4)n3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTDXQIFIVDWYRY-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cc(-c2ncc(-c3ccc(-c4cnco4)cn3)o2)nc(-c2ncc(-c3ccc(-c4cnco4)cn3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZZGCLVJKTGEH-IQVWLFHZSA-N", "SMILES:CCCCCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(C)=O)OC(C(=O)O)=C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQHCJLCILURNB-MIJWFQAMSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cnc(C(F)(F)F)n6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPBHLMCSJTVJH-JIAOGIMWSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6C(C)C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQYAUJFJVHMCU-ZOTGSTGKSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cnnn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"name": "Non-selective voltage-gated ion channel VDAC1", "xref": ["CHEMBL.TARGET:CHEMBL4295729"], "id": "UniProtKB:P21796", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKSIQRSKKCVNR-TXPSRRCXSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6ccnc6-c6ccccc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDONMOUAPUZEL-UHFFFAOYSA-N", "SMILES:Nc1scc2c(C(=O)NC3CC3)nn(-c3ccc(F)cc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXTYEZYJKYPIAK-JLPGSUDCSA-N", "SMILES:C=CCO/N=C(\\C(=O)NC1CC1)c1csc(N)c1C(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZULCZSBYBPASQ-BKUYFWCQSA-N", "SMILES:Nc1scc(/C(=N/O)C(=O)NC2CC2)c1C(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNTHJCQLOAIZRI-JLPGSUDCSA-N", "SMILES:Nc1scc(/C(=N/O)C(=O)NC2CC2)c1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPYACIUYLGDJP-ATRICVITSA-N", "SMILES:C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](CCCCNC(=O)O[C@@H]1CC/C=C/CCC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWOAVSOGMXSKKV-JJKQSNDFSA-N", "SMILES:COc1cc(/C=N/n2cnnc2)c2c(c1OCc1ccccc1)CN1CCc3cc4c(cc3C1C2)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBUUMNUVDZLXOD-AREMUKBSSA-N", "SMILES:O=C(N1CCCC[C@@H]1COCc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1"]}
{"name": "Phospholipase DDHD2", "synonym": ["Triacylglycerol hydrolase DDHD2"], "xref": ["CHEMBL.TARGET:CHEMBL3259495"], "id": "UniProtKB:Q80Y98", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBMARIDCNFKNPH-AREMUKBSSA-N", "SMILES:O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJZONOVYVLTTL-FTJBHMTQSA-N", "SMILES:O=C(N1C[C@@H](O)C=C[C@@H]1COCc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPTGPKMZWXVQPH-HXUWFJFHSA-N", "SMILES:O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDVWUSONRQJHL-HXUWFJFHSA-N", "SMILES:O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccc([N+](=O)[O-])cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYVDKJEJNNIGE-HXUWFJFHSA-N", "SMILES:O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccc(Br)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUXWGUAPGUKTNH-XMMPIXPASA-N", "SMILES:O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccc(Oc3ccccc3)cc2)nn1"]}
{"name": "1-acylglycerol-3-phosphate O-acyltransferase ABHD5", "xref": ["CHEMBL.TARGET:CHEMBL3259509"], "id": "UniProtKB:Q9DBL9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Epoxide hydrolase 4", "xref": ["CHEMBL.TARGET:CHEMBL4295863"], "id": "UniProtKB:Q6IE26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSAHLRMVWZOBO-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(Cn2cncn2)OCc2ccc(Cl)c(Cl)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81421", "category": ["biolink:ChemicalEntity"], "name": "(+)-ALPHA-TOCOPHERYL SUCCINATE", "xref": ["InChIKey:IELOKBJPULMYRW-NJQVLOCASA-N", "SMILES:Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4283770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEOGEDONFNSDPX-DTQAZKPQSA-N", "SMILES:CN(C)CCOc1ccc(/C=C2\\COc3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDYLAJAWSKPFZ-DFFBVJHYSA-N", "SMILES:CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4294665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFYMZRGTWFEER-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Cl)nc1Nc1ncc(C(F)(F)F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRPDSCCZRPRJC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1cc(CCc2cc(OC)cc(OC)c2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJUAKORAVOTBIE-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2cccc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVYAMRQMQOCDN-WDZFZDKYSA-N", "SMILES:CC(=O)CC(=O)/C=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBKJPPYCDSYSAC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C(=O)OCC)=C1C(=O)Nc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4290305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZUADMFOBRQYDP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N/N=C2\\C(=O)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVIOSRLIRIMJN-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2/C1=N/Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504816", "category": ["biolink:ChemicalEntity"], "name": "(L)-1-METHYLTRYPTOPHAN", "xref": ["InChIKey:ZADWXFSZEAPBJS-JTQLQIEISA-N", "SMILES:Cn1cc(C[C@H](N)C(=O)O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4286481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQVFWBSCSJFHT-WMCAAGNKSA-N", "SMILES:O=C(N[C@@H](CC1C(=O)Nc2ccccc21)C(=O)O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPSUBEFPBMRUAP-UHFFFAOYSA-N", "SMILES:CC(=O)CC(=O)CC1(O)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBDRYCUEWUGNM-WTKPLQERSA-N", "SMILES:CC(=O)/C=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHFMODGKKPMHY-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2/C1=N/c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOFDGFFDVAWXAX-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2/C1=N/Nc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGQGXKXYLVIMD-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2/C1=N/Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXIDFFRBAOKORP-UMJHXOGRSA-N", "SMILES:CC(=O)N[C@@H](CC1C(=O)Nc2ccccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJCKRJKEWLPTL-MQWKRIRWSA-N", "SMILES:N[C@@H](CC1C(=O)Nc2ccccc21)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4289204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSHZSKOPPTBOO-UHFFFAOYSA-N", "SMILES:CC(=O)CC(=O)CC1(O)C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYBMKRBJYLJLC-WWRABVJASA-N", "SMILES:COC(=O)C1=C[C@H](NC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNAHEIYJVIQLP-VOTSOKGWSA-N", "SMILES:COc1cc(/C=C/C(C)=O)ccc1OCc1cn(-c2c(Cl)cccc2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHTBAYPUCDCQPX-UHFFFAOYSA-N", "SMILES:Nc1nc(OCc2ccccc2)c2[nH]nnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL124267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZGIVVRBMFZSG-UHFFFAOYSA-N", "SMILES:NNC(=O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL278555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQYRKDGHAPZRF-INIZCTEOSA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQDBJHRQZGYOZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOBREMGPDLCPI-UHFFFAOYSA-N", "SMILES:CC1=C(C)C2C(=O)N3N=C(NCCCN(C)C)c4ccccc4C3=NC2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANHDVZUNIEQNG-KIFRIVICSA-N", "SMILES:CN(CC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1ccc(C#Cc2c(F)cccc2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZZYWTILFJLXLF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C#Cc2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSAPNMLMMODBN-UHFFFAOYSA-N", "SMILES:CN(C)c1ncc(C#Cc2c(F)cccc2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNIUOHYRNWXVOD-UHFFFAOYSA-N", "SMILES:CNc1ncc(C#Cc2c(F)cccc2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDFBIRLONMQLK-JZZHPISPSA-N", "SMILES:CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)OCc6cn(-c7cccc(C(C)=O)c7)nn6)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYZPZHWTUNATHL-NEPJUHHUSA-N", "SMILES:OC[C@@H]1CCC[C@H](c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWCDFYFGVYQFS-WUKNDPDISA-N", "SMILES:COCCN/C(=C1/N=CN(CCOC)C1=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGNUDDQYHTDIH-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC(O)CC1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVFBKQFIDDPHSR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMWMVURYSUTNJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJCVSFWGKYHMKH-YVMONPNESA-N", "SMILES:O=C(O)/C(S)=C/c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNXBNOUUGVGCX-AIWAZMOTSA-N", "SMILES:CC[C@@]1(OC(=O)OCCSSCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFLVMBTWIJCNF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccnc3[nH]cnc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZECANYKHKCEFF-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041872", "category": ["biolink:ChemicalEntity"], "name": "SENTULIC ACID", "xref": ["InChIKey:VUWARXIOXCJWQT-IMQJRXMUSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C(=O)O)[C@@]1(C)CCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4293388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTAPKHIQWNNEBT-KJWHEZOQSA-N", "SMILES:CC(=S)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1S"]}
{"name": "Peptidoglycan-N-acetylglucosamine deacetylase", "xref": ["CHEMBL.TARGET:CHEMBL4295617"], "id": "UniProtKB:Q8DP63", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:171101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIGUDXJSUAFAEH-ZZXKWVIFSA-N", "SMILES:O=c1cc(/C=C/c2ccc(O)cc2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNUYGHPFKWXRDP-AATRIKPKSA-N", "SMILES:O=c1cc(/C=C/c2ccccc2O)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWWAQIKCANAFJE-YCNIQYBTSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)C(Cl)Cl)C(C)(C)CCC1"]}
{"name": "Aldehyde dehydrogenase 1A1", "xref": ["CHEMBL.TARGET:CHEMBL4295737"], "id": "UniProtKB:P27463", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"name": "Retinal dehydrogenase 2", "xref": ["CHEMBL.TARGET:CHEMBL4295683"], "id": "UniProtKB:O93344", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQIIXTUVVHGQFF-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)Nc4ccc(-c5nc6cc(CC(=O)O)ccc6o5)cc4F)c(F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYVINPXBSVXAR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(CNc3ccc(-c4nc5cc(CC(=O)O)ccc5[nH]4)cc3F)cc2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMFRFULMYJOKV-UHFFFAOYSA-N", "SMILES:CCCCCc1c(Oc2cc(OC)cc(C(=O)CCCC)c2C(=O)OC)c(O)cc(O)c1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4091841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYYRANUZXGTLQ-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc(C(=O)CCCC)c1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4278714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOGSHAKEGKXPED-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)cc(O)c1Oc1cc2c(cc1OC)C(O)(CCCC)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL125582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFIVJOSXJDORSP-QMMMGPOBSA-N", "SMILES:N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4292981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVFRXFRMQHWPE-QMMMGPOBSA-N", "SMILES:COCC(C)(C)[C@@H](O)C(=O)NCCC(=O)O"]}
{"name": "Type III pantothenate kinase", "xref": ["CHEMBL.TARGET:CHEMBL4295625"], "id": "UniProtKB:Q9HWC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDIDISVTKHICHQ-NSHDSACASA-N", "SMILES:CC(=O)CC(=O)NCC(C)(C)[C@@H](O)C(=O)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPREHUQESWHLF-QMMMGPOBSA-N", "SMILES:CNCC(C)(C)[C@@H](O)C(=O)NCCC(=O)O"]}
{"name": "Type II pantothenate kinase", "xref": ["CHEMBL.TARGET:CHEMBL4295609"], "id": "UniProtKB:Q6G7I0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:282459"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRUDQCZGCJKMBM-LURJTMIESA-N", "SMILES:CC(C)(C(=O)O)[C@@H](O)C(=O)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBBWPDXAZKOMQ-RGVLZGJSSA-N", "SMILES:O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)NCCCCCCOc3ccc(/C=C/C(=O)c4c(O)c5ccccc5oc4=O)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBRQRVXPUQKLG-IYARVYRRSA-N", "SMILES:CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnn4ccc(C(C)C)c34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIHPJIJLDNUDGH-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROBAABQWNXSTDZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCSC1=NCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARIJQPZSNXUOMI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCSC(=NC)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVMQJKTKNYVDO-UHFFFAOYSA-N", "SMILES:C=CCCCCCCCCC1OCCN1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOMQJDIEXBTCQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)c1sc(N)cc1-c1cccc(C(F)(F)F)c1"]}
{"name": "Nuclear receptor ROR-beta", "xref": ["CHEMBL.TARGET:CHEMBL3091268"], "id": "UniProtKB:Q92753", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWNPFJXINLSNF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C(=O)c3ccccc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWYZJMMPLDDJZ-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1sc2c(C(C)C)cc(NS(=O)(=O)c3cccs3)cc2c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCHQRSNNPYKZBM-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1sc2c(C(C)C)cc(NS(=O)(=O)N(C)C)cc2c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HITVBBDLWZDVIV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(F)c(F)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFEZHSZDSTVRHS-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1cccc(COc2ccc(C#CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTCCLQXILALRDE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cccc(COc2ccc(C#CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZAKMPLKYUFCQQ-UHFFFAOYSA-N", "SMILES:O=C(O)C#Cc1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSIYIWYCULGFM-KBXRYBNXSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NCCCNC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLXNDGROAAOQD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBYIFVQJMWGKB-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2n[nH]cc2-c2ccc(Cl)c(Cl)c2)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRQGALQTHYTIML-YRNVUSSQSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(=O)c3cc(/C=C/C(=O)OCCN(C)C)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCTAOJAKRLVNOM-PKNBQFBNSA-N", "SMILES:CN(C)CCOC(=O)/C=C/c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHBLJXMYCTBJQ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDVWGXCETZZLV-UHFFFAOYSA-N", "SMILES:Cc1c(OCC(O)CN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIIXGCDJLIQYIW-UHFFFAOYSA-N", "SMILES:Cc1c(OCC(O)CN2CCC(O)CC2)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPQHQDWNLXNKV-UHFFFAOYSA-N", "SMILES:Cc1c(OCC(O)CN2CCOCC2)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHSXMHYXEDTYDH-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCS(C)(=O)=O)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZOMMSDHODKOJ-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCN2CCOCC2)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"]}
{"name": "Heme oxygenase 1", "xref": ["CHEMBL.TARGET:CHEMBL2823"], "id": "UniProtKB:P09601", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXWOINYYNKQNRE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1OCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDAJRQAOICOFN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Br)cc(OCCCCn3ccnc3)c2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYZAVYFCGPMDM-UHFFFAOYSA-N", "SMILES:Brc1cccc(OCCCCn2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXWUOZHYJJJSP-UHFFFAOYSA-N", "SMILES:Ic1ccc(OCCCCn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCQURCZFUMFFH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUFWKNPLVBXUNS-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBSVSKZYQHTKX-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJOLORFUQIBTK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(=O)CCl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGRAOSZWRZDGN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(=O)C(Cl)(Cl)Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYCALXZEIHFRHF-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMDVACKWEYFAKK-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPCENMKWFDDLN-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZXFXHAJTLOTKC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKPDPRJFAFBJCV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCCCBr)c([N+](=O)[O-])c1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBKVZZCMRKLOOJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCCBr)c([N+](=O)[O-])c1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKZZGBBTCRVSEF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCBr)c([N+](=O)[O-])c1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COYNOTZAWHKYIS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCBr)c([N+](=O)[O-])c1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMABXRRDUNIUKZ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)C(Cl)Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHBIZBQYTKKTMD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccccc2)cc1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMRUTOPNGJSBOT-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(=O)C(Cl)Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWXYQGEUZCHLT-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(=O)C(Cl)Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJSKKGDURPGND-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc(C(=O)C(Cl)Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DECISUMGFVJYLF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCBr)cc1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGVJSDLAOMALTF-UHFFFAOYSA-N", "SMILES:CC1CCOc2ccc(C(=O)C(Cl)Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQRSHRZCMRKMW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C(Cl)Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3560171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERJZAHSUZVMCH-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCUFBKKCXNUEJJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQIORVSRCHODD-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBQMSXFKLKWBD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(=O)C(Cl)Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGPSBMWMQMDRW-QNGWXLTQSA-N", "SMILES:C#CCOc1ccc(C(=O)c2ccc(C(=O)NCc3ccc4c(c3)CO[C@@]4(CCCN(C)C)c3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNEPHSDSMCDPMW-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2c(-c3ccco3)oc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNNSOQZWCQYMV-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccc(I)cc2)c(-c2ccco2)oc2c(Cl)cc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIHFIXFMDMDJAB-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccc([N+](=O)[O-])cc2)c(-c2ccco2)oc2c(Cl)cc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBJIZGNFHCECJ-UVTDQMKNSA-N", "SMILES:COc1cccc(/C=C2\\NS(=O)(=O)c3ccccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYIVNSAPNZZANB-LCYFTJDESA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)NS(=O)(=O)c2ccccc21"]}
{"name": "Chaperone SurA", "xref": ["CHEMBL.TARGET:CHEMBL4295570"], "id": "UniProtKB:P0ABZ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBCZKTXZSRHCJG-KPBQEYADSA-N", "SMILES:CSCC[C@H](NC(=O)/C=N/O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(N)=O"]}
{"name": "CD209 antigen", "xref": ["CHEMBL.TARGET:CHEMBL1795114"], "id": "UniProtKB:Q9NNX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCXFUBIGJOCHP-UHFFFAOYSA-N", "SMILES:N=C(CCl)NCCCc1nn(CC2CCCC2)c2cc(Cl)c(Cl)c(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOVKUNNAXYQOK-LFBNJJMOSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVFKKHTGMRUGI-NIOPZXMRSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRNHNSUYQRKIM-UHFFFAOYSA-N", "SMILES:CCn1cc(C(CC)(CC)c2ccc(OCC(O)CO)c(C)c2)cc1C(=O)NCC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJBEHKBKOMEFI-UHFFFAOYSA-N", "SMILES:CCn1cc(C(CC)(CC)c2ccc(OCC(O)CO)c(C)c2)cc1C(=O)NCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZOSPOHDDQAFO-UHFFFAOYSA-N", "SMILES:Cc1coc2c1c(=O)oc(=O)c1c3c(ccc12)C(C)(C)CCC3"], "chembl_natural_product": true}
{"name": "Liver carboxylesterase 1", "xref": ["CHEMBL.TARGET:CHEMBL2265"], "id": "UniProtKB:P23141", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQZYROWRGCEIKS-JTQLQIEISA-N", "SMILES:Cc1cccc2c1ccc1c3c(c(=O)oc(=O)c12)[C@@H](C)CO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL190503", "category": ["biolink:ChemicalEntity"], "name": "PHENYLMETHYLSULFONYLFLUORIDE", "xref": ["InChIKey:YBYRMVIVWMBXKQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(F)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKZVXALNOKYCRL-SNAWJCMRSA-N", "SMILES:CO/C=C/C(=O)c1cc2c3c(c(N)cc(NC(=O)C(C)C)c3n1)N=C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4286992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHNYUTUXQWYDQ-AYSLTRBKSA-N", "SMILES:C=C(C)C(O)CC/C(C)=C/Cc1c(O)ccc(C(=O)CC(O)c2ccc(O)cc2)c1O"]}
{"name": "Histidine protein kinase SaeS", "xref": ["CHEMBL.TARGET:CHEMBL4295597"], "id": "UniProtKB:Q2G2U1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3183531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBKCKEHGXNWYMO-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4287599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIDGZQVWULCMZ-JXMROGBWSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(C(OCCN2CCCCC2)c2cc3nccc(C(=O)O)c3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTFJRVJUBZRHF-SVRQOYAUSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4279246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQZCSUXLSROEU-GLZBUQBYSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4290521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZLOKIPINFXLX-PFCCQCKSSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)CC(C)C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4285120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOXZWOGNAXOVFI-NSYYYGPXSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)CC(C)C)[C@]2(CO)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4277170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVADXZLEMLSJMZ-VLHXVOTPSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C\\C)[C@]2(CO)[C@H](O)[C@H](OC(=O)CC(C)C)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4288481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTQYKSVYAFDFK-MATFZZJSSA-N", "SMILES:CCC(C)C(=O)O[C@H]1[C@H](O)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](OC(=O)CC(C)C)[C@@H](O)[C@]21CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4280593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCUCVFSUBCMZKO-ZOHOTUDVSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4291899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANEQTZXFMNTOMQ-VLXYEAEASA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)CC(C)C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4277358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJLROUFCUCSAGZ-ZOHOTUDVSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4282245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHSYZAVXMAMTO-XPBWGYAMSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4283159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHSYZAVXMAMTO-PGJRKMKDSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C\\C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4278432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYZERNSONBUCW-KRWDZBQOSA-N", "SMILES:C[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1cncc(N2CCN(c3ccccn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBHCMCFSOXOPBD-HDMKZQKVSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)[C@H]1CCC[C@H]1[C@@H](c1ccc(Br)cc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIVQVAUEFGMNM-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nn3c(c2-c2ccc(O)cc2)C(C)C(C)(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185238", "category": ["biolink:ChemicalEntity"], "name": "GW786460X", "xref": ["InChIKey:LBPKYPYHDKKRFS-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2n[nH]cc2-c2ccc3ncccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGXFONKKRCFJMJ-NAVGAYGYSA-N", "SMILES:COc1cc([C@@H]2CC(=O)c3c(cc(O)c(C/C=C(\\C)CCC=C(C)C)c3O)O2)cc(O)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL374130", "category": ["biolink:ChemicalEntity"], "name": "BONANNIONE A", "xref": ["InChIKey:XYIQIBWIEGCVQY-RWHUQTJRSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL223256", "category": ["biolink:ChemicalEntity"], "name": "NYMPHAEOL A", "xref": ["InChIKey:XCYSQFHYFNWYFP-CEMXSPGASA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKCODVXNYJFPIN-OMKLEDIQSA-N", "SMILES:COc1cc([C@@H]2CC(=O)c3c(cc(O)c(C/C=C(\\C)CCC=C(C)C)c3O)O2)cc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4278258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFMTZZTLFDKAV-DQUNLGLBSA-N", "SMILES:COc1cc([C@@H]2CC(=O)c3c(cc4c(c3O)C=CC(C)(CCC=C(C)C)O4)O2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3581353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMWKLHZQLGFNOZ-JINQPTGOSA-N", "SMILES:CC(C)=CCCC1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2cc(O)cc(O)c2)O3)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBJEHBYZUPVDF-JUALLIRVSA-N", "SMILES:COc1cc([C@@H]2CC(=O)c3c(cc(O)c(C/C=C(\\C)CCC=C(C)C)c3O)O2)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4282134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAXMJFQUZKBFJD-NTUHNPAUSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)cc2occc(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4293397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJDAVIWJHKZIZ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(=O)c3c(cc4c(c3O)C=CC(C)(CCC=C(C)C)O4)O2)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1082153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJJSMUJXGVEEW-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3cccc(NCC(O)CO)c3)C(=O)NC2=O)c2cc(Cl)ccc21"]}
{"name": "Sensor protein kinase WalK", "xref": ["CHEMBL.TARGET:CHEMBL4295968"], "id": "UniProtKB:Q9RDT3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRXFQAPKDHGHOQ-RRGFNCJCSA-N", "SMILES:COc1cc[nH]c1/C=C1\\C(=O)Nc2ccc([N+](=O)[O-])c(C3CC[C@@H](O)C3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1766573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZULYIIGBMRTMW-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOYHVQKKWVYFE-UHFFFAOYSA-N", "SMILES:O=C1C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C(=O)N1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYEVBLXFLGQSPY-GEBKJHSDSA-N", "SMILES:O=C1N=C(N[C@H](CO)c2ccccc2)S/C1=C\\c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOBYRTMUHJKCCU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c[nH]nc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWJMPGMWAQUAL-UHFFFAOYSA-N", "SMILES:CCCN1CC(=O)N2Cc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)CC2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCHTVIKVNZRQT-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2Cc3c(n(Cc4ccc(C(=O)NO)cc4)c4ccccc34)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPMVTSFNHMXPY-UHFFFAOYSA-N", "SMILES:CCCN1C(=O)C2Cc3c(n(Cc4ccc(C(=O)NO)cc4)c4ccccc34)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJOXTWRVXVYWML-UHFFFAOYSA-N", "SMILES:CCCCN1C(=O)C2Cc3c(n(Cc4ccc(C(=O)NO)cc4)c4ccccc34)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNSCXVKMXNVVCY-AOMKIAJQSA-N", "SMILES:CCCN1CC(=O)N2[C@@H](Cc3c(n(Cc4ccc(C(=O)NO)cc4)c4ccccc34)[C@@H]2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNSCXVKMXNVVCY-KSFYIVLOSA-N", "SMILES:CCCN1CC(=O)N2[C@H](Cc3c(n(Cc4ccc(C(=O)NO)cc4)c4ccccc34)[C@@H]2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNSCXVKMXNVVCY-OPAMFIHVSA-N", "SMILES:CCCN1CC(=O)N2[C@H](Cc3c(n(Cc4ccc(C(=O)NO)cc4)c4ccccc34)[C@H]2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNSCXVKMXNVVCY-ZHRRBRCNSA-N", "SMILES:CCCN1CC(=O)N2[C@H](C)c3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMNUWFAOQMRPRY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4295114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRQVEVLBUCMWDD-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWRGCVNCGUIYFI-ORIXBOIQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCONC(=N)N)NC(=O)OCc1ccccc1)c1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPAQKNCSNWYVOC-YIUCRBITSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)c1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARTIPZVRVOALHG-ORIXBOIQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCONC(=N)N)NC(=O)OCc1ccccc1)C1CCCCC1)[C@@H](O)CC(=O)NCCc1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNMBLWZUAOPIBS-YIUCRBITSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C1CCCCC1)[C@@H](O)CC(=O)NCCc1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAENXUUTEGFQHU-FDAWAROLSA-N", "SMILES:O=C(N/N=C/c1cccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJMLTGPFAGNJV-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGBBNTPOALPXTN-UHFFFAOYSA-M", "SMILES:O=C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc(-c2ccc(C(=O)C(Cl)Cl)cc2)cc1[N+](=O)[O-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPFMOUWANJLQT-UHFFFAOYSA-M", "SMILES:O=C(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc(-c2ccc(C(=O)C(Cl)Cl)cc2)cc1[N+](=O)[O-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFGKQRMVXJECK-UHFFFAOYSA-M", "SMILES:O=C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc(-c2ccc(C(=O)C(Cl)Cl)cc2)cc1[N+](=O)[O-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRJZOQHXVVWCQ-UHFFFAOYSA-M", "SMILES:O=C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc(-c2ccc(C(=O)C(Cl)Cl)cc2)cc1[N+](=O)[O-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFYSSVTXBUWCMB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc(O)cc2)cc1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXIIPKRDSWOMFX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENWVAYZRYZBAE-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cc3c(Nc4ccc(Oc5cccc(C(F)(F)F)c5)c(Cl)c4)ncnc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDYINDEKINRQQ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)Nc1ccc(-c2cc3c(Nc4ccc(Oc5cccc(C(F)(F)F)c5)c(Cl)c4)ncnc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYNNPMPRUWCIF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cc3c(Nc4ccc(Oc5cccc(C(F)(F)F)c5)c(Cl)c4)ncnc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRVBKPKRUTVPV-UHFFFAOYSA-N", "SMILES:OC(Cn1cncn1)(Cn1c2ccc(Br)cc2c2cc(Br)ccc21)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSKKFHWSKOYZAZ-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccccc1)N1N=C(c2ccc(OCc3ccccc3)cc2)CC1c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXHVDMZHZVKVQI-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc(Oc2c(F)c(F)c(F)c(F)c2F)nc(N2CCCc3ccccc3C2)n1"]}
{"name": "Prohibitin 1", "xref": ["CHEMBL.TARGET:CHEMBL4295750"], "id": "UniProtKB:P35232", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWPLQCLEDVMFOJ-UHFFFAOYSA-N", "SMILES:Fc1cccc(CNc2nc(Oc3c(F)c(F)c(F)c(F)c3F)nc(N3CCC(N4CCCCC4)CC3)n2)c1"]}
{"name": "Prohibitin-2", "xref": ["CHEMBL.TARGET:CHEMBL4295931"], "id": "UniProtKB:Q99623", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSFNVTOPBHIRSI-UHFFFAOYSA-N", "SMILES:Fc1c(F)c(F)c(Oc2nc(N3CCC(N4CCCCC4)CC3)nc(N3CCCc4ccccc4C3)n2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEZMVCVLJSRJU-UHFFFAOYSA-N", "SMILES:NCCOCCOCCNc1nc(NCc2cccc(F)c2)nc(Oc2c(F)c(F)c(F)c(F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL315874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBNJEFLDXFIGNG-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2c[nH]cc2C(c2ccc(Cl)cc2Cl)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAGEDZBILNZHR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cl)cc2)c(C(c2ccc(Cl)cc2Cl)n2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOZKRUYNVQHSHL-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2c[nH]cc2-c2ccc(Cl)c(Cl)c2)n2ccnc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHLRUOGOYQUJHE-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2c[nH]cc2C(c2ccc(Cl)cc2Cl)n2ccnc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVUIAMAXDDBME-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCC=C(C)C)c3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APASMGLCIZNUTG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccc(C(F)(F)F)cc4)c3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFSKRVYUACWFE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N(Cc2cccc(OCc3ccccc3)c2)C(=O)c2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIIPERYFWUVCR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(C(=O)NO)cc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPPDHWSWHZDVQN-UHFFFAOYSA-N", "SMILES:N#CCC(=O)N/N=C1\\C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDMXYHMPBDRTLP-UHFFFAOYSA-N", "SMILES:Cl.Cl.Nc1ccc(O)c(CN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDNABSGCFFOYJH-UHFFFAOYSA-N", "SMILES:CCCCCCN(C)Cc1cc(N)ccc1O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVMZOAFSJCNNI-UHFFFAOYSA-N", "SMILES:CCCCCN(C)Cc1cc(N)ccc1O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGZCCVBTXYGKPE-UHFFFAOYSA-N", "SMILES:CCCCN(C)Cc1cc(N)ccc1O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTXPGETZBJTQCC-UHFFFAOYSA-N", "SMILES:CCCN(C)Cc1cc(N)ccc1O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVAJSBVVLCICKL-UHFFFAOYSA-N", "SMILES:CCN(C)Cc1cc(N)ccc1O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSUKZBTMMAHQX-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cc(N)ccc1O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKVZCJWBBZBPOA-UHFFFAOYSA-N", "SMILES:CNCc1cc(N)ccc1O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLISWDVQSUTGTR-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cc(N)ccc1O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLAZHLBHMWGILG-UHFFFAOYSA-N", "SMILES:CCCN(CCC)Cc1cc(N)ccc1O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPWOSQFJYQWKPL-UHFFFAOYSA-N", "SMILES:Cl.Cl.Nc1ccc(O)c(CN2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIFWTXIWUWLEEU-UHFFFAOYSA-N", "SMILES:Cl.Cl.Nc1ccc(O)c(Cn2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDSVPPGOXBTBX-HUZRQMBKSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)/C=C/C(=O)OCC)[C@]4(CO4)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMLAAKWXIPVHI-HTKHVQBFSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](O)[C@]4(CO4)[C@@H]3C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332641", "category": ["biolink:ChemicalEntity"], "name": "ISOTELEKIN", "xref": ["InChIKey:XIUXHZFELXEHSK-WPLOAARJSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](O)C(=C)[C@@H]3C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQKVCDNUFDAHB-HKKVUVRFSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4294500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXQQUVXSGPCXRV-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cn(Cc2ccccc2)c2ncc(Br)cc12"]}
{"name": "Voltage-dependent N-type calcium channel subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4295549"], "id": "UniProtKB:G3X7Z2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHHGWOOIUNVDOZ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cn(Cc2ccccc2)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMCBBWABOUSJA-UHFFFAOYSA-N", "SMILES:O=C(NCc1c(F)cccc1F)c1sccc1OCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYVFYJAYNAHZOE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPYDXUUBCDYKQ-SECBINFHSA-N", "SMILES:C[C@@H](Oc1cncc(-c2cnc(N)nc2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZREFSAMKZCTNFF-GOAPWOOUSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(Cn1cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn1)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPTYQBTUWHUZEM-ANYBSYGZSA-N", "SMILES:O=C1S/C(=C\\c2ccc(N3CCOCC3)c(Cl)c2)C(=O)N1c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZROMFRHIPBBTBU-GIBOGKFOSA-N", "SMILES:O=C1S/C(=C\\c2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1c1ccc(OCCCCCN2CCN(CC3CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOKJCNJHOXSDX-ZZIIXHQDSA-N", "SMILES:CCCCCCCCCCCCC/C(=N\\O)c1cc(-c2ccc(O)c(F)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYTCMWSUAKFEFW-SDNWHVSQSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(/C=C/c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUMNZRXLKXQECY-RUDMXATFSA-N", "SMILES:CNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXHQQBCFABOJC-BJMVGYQFSA-N", "SMILES:CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBEBYTWSVFEKNL-BJMVGYQFSA-N", "SMILES:CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Br)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1416382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIIQZAHDUSVDR-XVNBXDOJSA-N", "SMILES:CN=c1ccc(Br)cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOCSHBNMIBWJQW-VMPITWQZSA-N", "SMILES:CNc1ccc(Br)cc(C(=O)/C=C/c2cccc(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPOBKMRCWWKEA-SOFGYWHQSA-N", "SMILES:CNc1ccc(Br)cc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YREKTTIVMIRGOJ-RKFFNLMFSA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEQHFOKLQNEKPO-LWYYNNOASA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJVVWXICNCPOBW-UDTPNQRGSA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)NCC(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMBTGQUKIEUCM-FUBBUTDDSA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKOADWVFAAVWPX-OFOKGCAXSA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIATTPJELZACS-JFZIVLOISA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPZJHXGCIPMHFD-JFZIVLOISA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLXHCYJPYIYWBF-KLSDWBHSSA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGTDWVFHKGDQFC-KLSDWBHSSA-N", "SMILES:CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H](C(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDPYJYDVMZXUKQ-ZDEQEGDKSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(C)C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4283386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJDMDJDFQJJGS-RRKCRQDMSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUQZSESVGXFBBE-UHTZMRCNSA-N", "SMILES:Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPUCCUQFOVDMA-SOFGYWHQSA-N", "SMILES:COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2297673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKSXJSJFXQLSC-FNORWQNLSA-N", "SMILES:O=C(/C=C/c1ccccc1O)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQNBZACENOOOR-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=Cc2cccc(O)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWSIBDIGLDDXFD-UHFFFAOYSA-N", "SMILES:COc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1210878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCIZKKFUFJLBFS-UHFFFAOYSA-N", "SMILES:COc1cccc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1210876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDMUOKHIDINRHN-UHFFFAOYSA-N", "SMILES:COc1ccc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZWFNVDWBHJIZ-LFGHMXSPSA-N", "SMILES:CCOC(=O)C[C@@H]1CCC(=O)/C1=C/C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZWFNVDWBHJIZ-PCRWRXJSSA-N", "SMILES:CCOC(=O)C[C@H]1CCC(=O)/C1=C/C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLAVMDEUPMUDB-UVTDQMKNSA-N", "SMILES:CCOC(=O)CC1CCC(=O)/C1=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZWFNVDWBHJIZ-GXDHUFHOSA-N", "SMILES:CCOC(=O)CC1CCC(=O)/C1=C/C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHRBAXTFVUBFC-XYOKQWHBSA-N", "SMILES:O=C(O)CC1CCC(=O)/C1=C/C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXORXPNCCFBPR-UKTHLTGXSA-N", "SMILES:COC(=O)CC1CCC(=O)/C1=C/C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDRTZGZGAWDOQH-UHFFFAOYSA-N", "SMILES:COC(=O)CC1CCC(=O)C1=CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXNTFANTNWHJY-UHFFFAOYSA-N", "SMILES:COC(=O)CC1CCC(=O)C1=CC(OC)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXORXPNCCFBPR-UHFFFAOYSA-N", "SMILES:COC(=O)CC1CCC(=O)C1=CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEONUAGWWLZAGC-UHFFFAOYSA-N", "SMILES:COC(=O)CC1CCC(=O)C1=CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLFVKHNFFBLBAJ-UHFFFAOYSA-N", "SMILES:CCCCC(C=C1C(=O)CCC1CC(=O)OC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQXOLUCHOCTII-UHFFFAOYSA-N", "SMILES:COC(=O)CC1CCC(=O)C1=CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWBPBWVUMVNAE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(c2ccc3c(Nc4cc(C)[nH]n4)nc(-c4ccccc4)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXUUEIHAHEZAA-UHFFFAOYSA-M", "SMILES:CC[N+](C)(CCCCNP(=O)(OCc1cnc([N+](=O)[O-])n1C)N(CCCl)CCCl)Cc1ccccc1.[I-]"]}
{"name": "Aggrecan core protein", "xref": ["CHEMBL.TARGET:CHEMBL4295716"], "id": "UniProtKB:P13608", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZOQSFSVPFONQM-UHFFFAOYSA-M", "SMILES:CC[N+](C)(CCCCCNP(=O)(OCc1cnc([N+](=O)[O-])n1C)N(CCCl)CCCl)Cc1ccccc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVMRYNWYOCPEN-UHFFFAOYSA-M", "SMILES:Cn1c(COP(=O)(NCC[N+](C)(C)Cc2ccccc2)N(CCCl)CCCl)cnc1[N+](=O)[O-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMFMBXANTVXURF-UHFFFAOYSA-M", "SMILES:Cn1c(COP(=O)(NCCC[N+](C)(C)Cc2ccccc2)N(CCCl)CCCl)cnc1[N+](=O)[O-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYBNSBYVRYENDR-UHFFFAOYSA-M", "SMILES:Cn1c(COP(=O)(NCCCC[N+](C)(C)Cc2ccccc2)N(CCCl)CCCl)cnc1[N+](=O)[O-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPZRGHYSZHAAL-UHFFFAOYSA-M", "SMILES:Cn1c(COP(=O)(NCCCCC[N+](C)(C)Cc2ccccc2)N(CCCl)CCCl)cnc1[N+](=O)[O-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRLUNSOHAUIRBV-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCCNP(=O)(OCc1cnc([N+](=O)[O-])n1C)N(CCCl)CCCl.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRPMNHNIDJKSN-UHFFFAOYSA-M", "SMILES:CC[N+](C)(CC)CCCCNP(=O)(OCc1cnc([N+](=O)[O-])n1C)N(CCCl)CCCl.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBQBUITXQMREAJ-UHFFFAOYSA-M", "SMILES:CC[N+](C)(C)CCCCNP(=O)(OCc1cnc([N+](=O)[O-])n1C)N(CCCl)CCCl.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCVJHMOYQDWMG-UHFFFAOYSA-M", "SMILES:CC[N+](C)(C)CCCCCNP(=O)(OCc1cnc([N+](=O)[O-])n1C)N(CCCl)CCCl.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABJAJZHOYMKCDF-UHFFFAOYSA-M", "SMILES:Cn1c(COP(=O)(NCCCCC[N+](C)(C)C)N(CCCl)CCCl)cnc1[N+](=O)[O-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDNCTJQFVAKQRM-UHFFFAOYSA-M", "SMILES:Cn1c(COP(=O)(NCCC[N+](C)(C)C)N(CCCl)CCCl)cnc1[N+](=O)[O-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALRRFVPZGUNHCX-PAMMARIWSA-N", "SMILES:COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJQKQYSEUJZFN-PWLYXOBOSA-N", "SMILES:COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCC2(C)CCc3c(C)c(OCc4ccc(-c5ccccc5C(=O)O)cc4)c(C)c(C)c3O2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4295068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQXSFONRVZRHES-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1OCc1ccc(-c3ccccc3C(=O)O)cc1)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUUIJQUJDCRSN-MZFJOGFUSA-N", "SMILES:Cc1c(C)c2c(c(C)c1OCc1ccc(-c3ccccc3C(=O)O)cc1)CCC(C)(COc1ccc(/C=C3\\SC(=O)NC3=O)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVUWHJHATSCUQH-QHDYCIAZSA-N", "SMILES:Cc1c(C)c2c(c(C)c1OCc1ccc(-c3ccccc3C(=O)OC(C)(C)C)cc1)CCC(C)(COc1ccc(/C=C3\\SC(=O)NC3=O)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLCRFSRIYLPTDS-UHFFFAOYSA-N", "SMILES:CCCCc1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nnn1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKWOKCWQJYTOO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1ccccc1-c1ccc(Cn2cc(CCOc3ccc(CC4SC(=O)NC4=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYGONHYMYCVCSU-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1ccccc1-c1ccc(Cn2cc(COc3ccc(CC4SC(=O)NC4=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRVABGYYGRBMO-UHFFFAOYSA-L", "SMILES:CCCCc1nc(CCCOc2ccc(CC3SC(=O)[N-]C3=O)cc2)cn1Cc1ccc(-c2ccccc2C(=O)[O-])cc1.[K+].[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKJSAFKHSMOEF-UHFFFAOYSA-L", "SMILES:CCCCc1nc(COc2ccc(CC3SC(=O)[N-]C3=O)cc2)cn1Cc1ccc(-c2ccccc2C(=O)[O-])cc1.[K+].[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMXMOFQAKQUMOY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCOCc1c(Cl)nc(CCCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKMFEWJBXBICV-ISLYRVAYSA-N", "SMILES:CCCCCS(=O)(=O)NC(=O)/C=C/c1c(Cl)nc(CCCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKMQIRORZBVFJL-VEJILBAHSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)Oc2ccc(C[C@H](Nc3ccccc3C(=O)OC)C(=O)O)cc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUWTGZIGLVSSH-ISLYRVAYSA-N", "SMILES:CCCCc1nc(Cl)c(/C=C/C(=O)Oc2ccc(CC3SC(=O)NC3=O)cc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL588564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWNNIGRGNSXNEA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc2nc(C(F)(F)F)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDUIDISYBDNAH-UHFFFAOYSA-N", "SMILES:CCN1Cc2cc(OC)ccc2-c2cccc(C)c21"]}
{"name": "Axin-1", "xref": ["CHEMBL.TARGET:CHEMBL4295996"], "id": "UniProtKB:O35625", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOEABGIPYCAONF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(C)c1c(C)cccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQALGDCTYJYJEF-UHFFFAOYSA-N", "SMILES:CCN1Cc2cc(OCc3cc(C)nn3C)ccc2-c2cccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFJWPXHSZWXJP-UHFFFAOYSA-N", "SMILES:CCN1Cc2cc(OCc3cc(C)nn3C)c(OCc3cc(C)nn3C)cc2-c2cccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4295072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLUIGVVILBYDH-UHFFFAOYSA-N", "SMILES:CCN1Cc2cc(OCc3cc(C)n(C)n3)ccc2-c2cccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFDXQQFZKBDDN-UHFFFAOYSA-N", "SMILES:CCN1Cc2cc(OCc3cccnc3)c(OCc3cccnc3)cc2-c2cccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBXMTSAZMTBMO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc(C2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YESIWNGKFXFJCT-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)Sc2ccccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIPFTAKXMECCX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)Nc1ccnc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWALRLFFHWLMRU-ZXVVBBHZSA-N", "SMILES:CCCc1nc2c(C)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\\C)c1noc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJUYQRATLTOLG-UHFFFAOYSA-N", "SMILES:C[C+]1CN(C(=O)c2cc3cc(Br)ncc3n2C)Cc2ccc(CN(C)C)cc21"]}
{"name": "Pyroglutamylated RF-amide peptide receptor", "xref": ["CHEMBL.TARGET:CHEMBL5852"], "id": "UniProtKB:Q96P65", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPDJGLJPDRCDQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]nc(-c3ccc4[nH]ccc4c3)c2c1)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGNBSSEYVVJPJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C)nn2-c2cccc(C(=O)NCCCCc3ccccc3)c2)cc1"]}
{"name": "Myoferlin", "xref": ["CHEMBL.TARGET:CHEMBL4523476"], "id": "UniProtKB:Q9NZM1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZAOWHKERXHJX-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2ccc(OC)cc2)n(-c2cccc(C(=O)NCCCCc3ccccc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AASLOEMOCBUITM-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2ncc(OC)cn2)n(-c2cccc(C(=O)NCCCCc3ccccc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLZDZYHEIBZXCI-CSKARUKUSA-N", "SMILES:O=C(CC(=O)Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADIBEGOVRYXDOX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPVTTUTHBLUJO-UHFFFAOYSA-J", "SMILES:O=c1cc(-c2ccc(OS(=O)(=O)[O-])cc2)oc2cc(OS(=O)(=O)[O-])cc(OCc3cccc(COc4cc(OS(=O)(=O)[O-])cc5oc(-c6ccc(OS(=O)(=O)[O-])cc6)cc(=O)c45)n3)c12.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHRTQDLXZCMJY-UHFFFAOYSA-F", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OCc3cccc(COc4cc(OS(=O)(=O)[O-])cc5oc(-c6ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c6)c(OS(=O)(=O)[O-])c(=O)c45)n3)c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGYSWJGWYYGDN-UHFFFAOYSA-F", "SMILES:Cc1cc(COc2cc(OS(=O)(=O)[O-])cc3oc(-c4ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c4)c(OS(=O)(=O)[O-])c(=O)c23)c(C)cc1COc1cc(OS(=O)(=O)[O-])cc2oc(-c3ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c3)c(OS(=O)(=O)[O-])c(=O)c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOBFOVSCYZHRW-UHFFFAOYSA-F", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OCc3cccc(COc4cc(OS(=O)(=O)[O-])cc5oc(-c6ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c6)c(OS(=O)(=O)[O-])c(=O)c45)c3)c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQGDCSGFGDDXGZ-UHFFFAOYSA-F", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OCCCOc3cc(OS(=O)(=O)[O-])cc4oc(-c5ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c5)c(OS(=O)(=O)[O-])c(=O)c34)c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWBMRKOSIVPCU-UHFFFAOYSA-C", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OCCCOc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc(OCCCOc6cc(OS(=O)(=O)[O-])cc7oc(-c8ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c8)c(OS(=O)(=O)[O-])c(=O)c67)c5c(=O)c4OS(=O)(=O)[O-])ccc3OS(=O)(=O)[O-])c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOQROLMSWGURG-UHFFFAOYSA-C", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OCCOc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc(OCCOc6cc(OS(=O)(=O)[O-])cc7oc(-c8ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c8)c(OS(=O)(=O)[O-])c(=O)c67)c5c(=O)c4OS(=O)(=O)[O-])ccc3OS(=O)(=O)[O-])c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJVORVVPJIMZHX-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)N1CCc2c(c(=O)oc3c(C=O)c(O)ccc23)C1"]}
{"name": "Serine/threonine-protein kinase/endoribonuclease IRE1", "xref": ["CHEMBL.TARGET:CHEMBL4523450"], "id": "UniProtKB:Q9EQY0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGZMWOUIISFRF-UHFFFAOYSA-N", "SMILES:O=Cc1c(O)ccc2c3c(c(=O)oc12)CNCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQJUHLNDAWJNC-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c(=O)oc3c(C=O)c(O)ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYMWNUDIOPESF-UHFFFAOYSA-N", "SMILES:O=c1oc2c(C3OCCCO3)c(O)ccc2c2c1CNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKAKENAHSDRIFQ-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c(=O)oc3c(C4OCCCO4)c(O)ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSRALXOIFQYOPM-REZTVBANSA-N", "SMILES:CC(=O)N/N=C/c1c(O)ccc2c3c(c(=O)oc12)CN(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYCOBZAGYAIKMT-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(c(=O)oc2c(C2OCCCO2)c1O)CNCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APGGXGRMZQTNTP-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(c(=O)oc2c(C2OCCCO2)c1O)CN(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZOVHCIHAGCCK-CNHKJKLMSA-N", "SMILES:COc1cc2c3c(c(=O)oc2c(/C=N/NC(C)=O)c1O)CN(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPKDJNWMNSQAP-UHFFFAOYSA-N", "SMILES:CC1(C)COC(c2c(O)ccc3c4c(c(=O)oc23)CNCC4)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPKDRFQSGLTLO-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(c(=O)oc2c(C2OCCCO2)c1OC(C)c1ccc(C(=O)OCC[Si](C)(C)C)cc1[N+](=O)[O-])CN(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARJRACZDFPWOBL-DPSWKAHMSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYJTVHQPRHYCQH-ZFIFVKQDSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSLFUAWAUHIFMR-VUHWMDJISA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQWAPRWALYKBM-IMNFJDCFSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTADKPQDAPMTO-ZMVGRULKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSDFPGWRRLCFG-ZMVGRULKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHSXLFKGIDKEJS-ZMVGRULKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGLGDZBHKICGG-IMNFJDCFSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CCc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJDHNWDIFYIHX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)[O-].CS(=O)(=O)[O-].NC(=O)c1cc[n+](COC[n+]2ccc(/C=N/O)cc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHQWQPHJZSPFH-BGDZGSFMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYSDVHNALKAECX-NMUVOBAGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(/N=N/c2ccc(O)cc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMQTRCOHWZDFV-ZRBKABKMSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBZBWFKUGVGRC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTVDIBZBUWIFC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3[nH]cc(C#Cc4cccnc4)c3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATQAGKAMBISZQM-HNNXBMFYSA-N", "SMILES:O=C(N[C@H]1CCc2cc(F)cc(F)c2NC1=O)c1n[nH]c(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJMQTLFRTZCJK-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVUAGRHPQWOOO-UHFFFAOYSA-N", "SMILES:CC(C)(C)N1CCOC(COc2ccc(NC(=O)NC3CCCCC3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCQKEAUFNXECKN-UXHICEINSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1443979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYLXXPLZBHCAH-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(-c2ccco2)nc(NCc2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDPFVIMTWXKGQT-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(-c2cccs2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1401818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGRYKCIBXUZJH-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSMGBZPONOKBDP-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)C2CCC(=O)Nc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENRFWPDXBVHDQ-QAQDUYKDSA-N", "SMILES:CC(C)(C)c1nnc(Nc2ccc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)nc2)o1"]}
{"name": "Diacylglycerol O-acyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL1075284"], "id": "UniProtKB:Q9Z2A7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNXBQIJUOJFKHW-ISDWHQCUSA-N", "SMILES:CCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIQCSCPPIXQNFL-GZFAIVQDSA-N", "SMILES:CCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUHVOKPDGIGHT-KADYSNOKSA-N", "SMILES:CCC1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVFILJZAPMHQD-OPCXRVQZSA-N", "SMILES:CCC1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCDBLGRWZPFNPF-KADYSNOKSA-N", "SMILES:CCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGBZESFLGIDBQ-YDAIJILDSA-N", "SMILES:CCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHPVRNNXFZLMPU-IOSLPDJESA-N", "SMILES:CCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(-c3ccccc3)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHCNVZZPJQTIRR-YKGOODDJSA-N", "SMILES:CCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBGICPVDEBZYMX-NCBUITQMSA-J", "SMILES:CC(=CCn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1)CC/C=C(\\C)CO.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUKKXGXPZLNPQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(Nc2ccc(-c3ccncc3)cc2)nc1O"]}
{"name": "2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL3091270"], "id": "UniProtKB:Q63T71", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272560"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQAJAHFWBYNPF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(C)c3ncc(C)o3)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTDKIXWJATMKW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(CC(=O)OCCC(F)CF)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMLPIXAWLVPBDL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(CC(=O)OCCCC(F)CF)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4523065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFGVHHCYACLOTG-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(CC(=O)OCCCCC(F)CF)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVNAQZMEMLHYEF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(CC(=O)OCCCCCC(F)CF)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXSDYXWLAYIAK-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)Cc1ccc(NC(=O)CCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOIKNNYVTVEIQ-UHFFFAOYSA-N", "SMILES:CCCCCOC(=O)Cc1ccc(NC(=O)CCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPKUSLLOFLZJOU-UHFFFAOYSA-N", "SMILES:CCCCCCCCOC(=O)Cc1ccc(NC(=O)CCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTJOMKGYXFFSNM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCOC(=O)Cc1ccc(NC(=O)CCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUCZCNUZADWMES-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(CC(=O)OCCCCCCC(F)CF)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRXHZMQOUJEGR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(CC(=O)OCCCCCCCC(F)CF)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCPCTMLZJGGMCJ-UHFFFAOYSA-N", "SMILES:CCCCCCOC(=O)Cc1ccc(NC(=O)CCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPGRHCJNNWSTC-AGHMMSEVSA-N", "SMILES:c1ccc(/N=N\\c2ccc(N3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cn2)cc1"]}
{"name": "Transient receptor potential cation channel subfamily V member 6", "xref": ["CHEMBL.TARGET:CHEMBL1628465"], "id": "UniProtKB:Q9H1D0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZSOQMZFWBOWEV-DYBVMYHOSA-N", "SMILES:c1ccc(/N=N\\c2ccc(CN3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIGVLXYBKGYKY-IKLWZFDPSA-N", "SMILES:c1ccc(/N=N\\c2ccc(CN3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIGVLXYBKGYKY-HPLPCMJKSA-N", "SMILES:c1ccc(/N=N/c2ccc(CN3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZNBXNBFNXAUIN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFAMEAQZYEMDG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQDGVQEVOWTIT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMCQJJAWMFBPOX-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLXGGMZFUUJXRR-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1CCN(CC(F)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL78010", "category": ["biolink:ChemicalEntity"], "name": "PECTOLINARIGENIN", "xref": ["InChIKey:GPQLHGCIAUEJQK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4520516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVWVMGTABEFID-FKSAJALASA-N", "SMILES:COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@]3(O)OC[C@]4(C)O[C@@]5(OC)CC[C@](C)([C@H]1C2)[C@]43O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4483032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKCKVVILDHYSG-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(C2CC2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPURSRTFVNCQC-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2O)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOIVAEYUULQRLW-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(F)c(F)c2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRQBECQDCCTULV-UHFFFAOYSA-N", "SMILES:NC(=O)c1ncc(-c2ccnc(NC(=O)C3CC3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMKBWXYOWWDPG-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOZITIWJBGALO-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFZYSRRZJSGDQF-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N3CCN(Cc4ccccc4)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USALRDWGIGTRHW-UHFFFAOYSA-N", "SMILES:Cl.Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N3CCN(C4CCNCC4)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHVQILGLFOSRJU-UHFFFAOYSA-N", "SMILES:CN1CCC(N2CCN(c3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFXVSPBYMVTFOD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N3CCC(N4CCCCC4)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHWLQOFRCIQDJ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cc(NC(=O)OC(C)(C)C)cc2Cl)cc2cnc(N3CCN(c4ccncc4)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIZWZSOMMVWGY-UHFFFAOYSA-N", "SMILES:CN1CCC(N2CCN(c3ncc4cc(-c5c(Cl)cc(NC(=O)OC(C)(C)C)cc5Cl)c(=O)n(C)c4n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IASJDMIXQGWEDK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc3cc(-c4c(Cl)cc(NC(=O)C(C)(C)C)cc4Cl)c(=O)n(C)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZXKZKBPQLEOJO-UHFFFAOYSA-N", "SMILES:CN1CCC(N2CCN(c3ncc4cc(-c5c(Cl)cc(NC(=O)C(C)(C)C)cc5Cl)c(=O)n(C)c4n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFBWBWFFQUFDAE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc3cc(-c4cc(Cl)cc(Cl)c4)c(=O)n(C)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGHBORAEFSARV-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N3CCNCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKBEUSIUABBTC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cc1)c1ccc(S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDKDODJIBQNLK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQTUFYCDUWSKKX-KGNCLDLBSA-N", "SMILES:CCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCC(O)CO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL264190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCJPPDAOZROBS-FKWFRFQNSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSFGYYJZFLWLX-HJJFOVLISA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYMKCFHIKPKTPT-YZPFMZTQSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGIZCNFBZVCFW-ZNYPNPCQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1300045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLGYZZQFFUNCMT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(S)=NCc2ccc(Cl)cc2)cc1"]}
{"name": "Phospholipid hydroperoxide glutathione peroxidase GPX4", "xref": ["CHEMBL.TARGET:CHEMBL4523148"], "id": "UniProtKB:O70325", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FELDRJSFLBINQS-UHFFFAOYSA-N", "SMILES:Cl.NCCNS(=O)(=O)c1ccc(NC(=S)NC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXBDXZHMOFNOY-INIZCTEOSA-N", "SMILES:Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKHZPVGFDPVJG-HNNXBMFYSA-N", "SMILES:Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STQPVYHCDNSBIJ-AWEZNQCLSA-N", "SMILES:Nc1nc2[nH]c(CCCCc3cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZBILLJZHUAOY-LBPRGKRZSA-N", "SMILES:Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3F)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMTFSFGBNBUALY-NSHDSACASA-N", "SMILES:Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3F)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZAAFKZIMBFSS-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cc(NC(=O)C2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSHYWJLZRXBBA-UHFFFAOYSA-N", "SMILES:Cc1c(Br)c[nH]c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSHMCWFWIENPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNTYFJMXNOGQOD-UHFFFAOYSA-N", "SMILES:Cc1ccn(Cc2ccc(F)cc2)c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYIXJCBHLORBDA-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(O)c(Br)cn(Cc2ccc(F)cc2)c1=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTYNXODTWATHQR-UHFFFAOYSA-N", "SMILES:Cc1c(F)cc(NC(=O)C2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSNIBNZUKKXHE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)C3CCCCCC3)c(=O)n(Cc3ccc(F)cc3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGADMHKPGFFLR-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)cc(NC(=O)C2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFVGLDIMDZRFT-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cc(NC(=O)C2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQDFCQBXFQUGB-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cn(Cc2ccc(F)cc2)c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEKCWAPQHDOUCV-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)cn(Cc2ccc(F)cc2)c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMMGMDAOKRWDE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(Cc3ccc(F)cc3)c(=O)c(NC(=O)C3CCCCCC3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGDYZCDUPSTQT-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1NC(=O)C1CCCCCC1"]}
{"name": "Monoacylglycerol lipase ABHD6", "xref": ["CHEMBL.TARGET:CHEMBL3708569"], "id": "UniProtKB:Q5XI64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNZKIANEZWFDER-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1cccc(C(F)(F)F)c1"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL2007628"], "id": "UniProtKB:P54829", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVJLJEMEWHBCNB-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1cc(C2CCNCC2)cc(C(F)(F)F)c1"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL4523242"], "id": "UniProtKB:P54830", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL393929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOLMRFUGOINFDQ-YBEGLDIGSA-N", "SMILES:O=C1N=C(NCc2cccs2)S/C1=C\\c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXMZEMWEDCPBNA-DHDCSXOGSA-N", "SMILES:CCCOc1cnc(CN/C=C2\\C(=O)NC(=O)c3ccc(I)cc32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGOVBHLIYNOJOQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDBBVMMKPWVLG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267930", "category": ["biolink:ChemicalEntity"], "name": "SPIPERONE", "xref": ["InChIKey:DKGZKTPJOSAWFA-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1"], "synonym": ["Spiperone", "Spiperone", "Espiperona", "Spiperone", "NSC-170983", "R 5147", "R-5147", "Spiropitan", "Spiperone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYCUSZGYGASEES-UHFFFAOYSA-N", "SMILES:COC(=O)CN(CC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)Nc1ccc(CCN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1)CC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)Nc1ccc(CCN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROWLGBJYGHHBJ-UHFFFAOYSA-N", "SMILES:COC(=O)CN(CC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc1ccc(CCN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1)CC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc1ccc(CCN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXPEBBXSNQKNU-UHFFFAOYSA-M", "SMILES:COc1ccc(-c2noc(CC3C[N+]4(C)CCC3CC4)n2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZLEBPFOCGGNB-SFHVURJKSA-N", "SMILES:Cc1c(C(=O)N2CC[C@H](N)C2)nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLUMEJYVBYXSD-NRFANRHFSA-N", "SMILES:Cc1c(C(=O)N2CC[C@H](N(C)C)C2)nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRYSYNKTDKAKX-KRWDZBQOSA-N", "SMILES:CN[C@H]1CCN(C(=O)c2nc(-c3ccc(C#N)c(F)c3)n(-c3ccc4nn(C)c(Cl)c4c3)c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMDAIIMJWJRYTE-SFHVURJKSA-N", "SMILES:CN[C@H]1CCN(C(=O)c2nc(-c3ccc(C#N)c(F)c3)n(-c3cc4cn(C)nc4cc3F)c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRJKSLAMWDUOAR-IBGZPJMESA-N", "SMILES:Cc1c(C(=O)N2CC[C@H](N(C)C)C2)nc(-c2ccc(C#N)c(F)c2)n1-c1cc2cn(C)nc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOAGHSGZZDCNBF-IBGZPJMESA-N", "SMILES:Cc1c(C(=O)N2CC[C@H](N(C)C)C2)nc(-c2ccc(C#N)c(F)c2)n1-c1cc(F)c2nn(C)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKUSVABAHCXHF-QGZVFWFLSA-N", "SMILES:Cc1c(C(=O)N2CCC[C@@H](N)C2)nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)c(Cl)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKGNRQBWOOXQA-GOSISDBHSA-N", "SMILES:CN[C@@H]1CCCN(C(=O)c2nc(-c3ccc(C#N)c(F)c3)n(-c3ccc4nn(C)c(Cl)c4c3)c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXYGYQSEVLLRJ-SNAWJCMRSA-N", "SMILES:N/C(=N\\O)c1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786182", "category": ["biolink:ChemicalEntity"], "name": "GSK2879552", "xref": ["InChIKey:LRULVYSBRWUVGR-FCHUYYIVSA-N", "SMILES:O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1"], "synonym": ["Gsk2879552"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGUSRMLMLNVDSF-QJCVVZHISA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CN(C)C)[C@H](OC(=O)CN(C)C)c1ccc([N+](=O)[O-])cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPEHGDBDELPQIK-QHHAFSJGSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)COc1ccc(Br)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKTWTQZJMZAVMQ-YPNIWSFNSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/C1=C(Cl)c2ccccc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1087296", "category": ["biolink:ChemicalEntity"], "name": "TRICHOSTACHINE", "xref": ["InChIKey:GQIJYUMTOUBHSH-IJIVKGSJSA-N", "SMILES:O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4532719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHREVYYIPQFFL-UHFFFAOYSA-N", "SMILES:COc1cc2c(ccc3c2[nH]c2c4cc(OC)c(O)cc4oc(=O)c32)cc1O"]}
{"name": "DNA topoisomerase I", "xref": ["CHEMBL.TARGET:CHEMBL4523955"], "id": "UniProtKB:F1MN93", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHEQBGDNKAGUBO-UHFFFAOYSA-N", "SMILES:COc1cc2c(ccc3c4c(=O)oc5cc(O)c(OC)cc5c4n(C)c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPSGVTGSERTGOH-UHFFFAOYSA-N", "SMILES:COc1cc2c(ccc3c4c(=O)oc5cc(O)c(OC)cc5c4n(CCN(C)C)c23)cc1O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBAHRHIHOWZKMS-OKOKNOAKSA-N", "SMILES:COc1cc2c(ccc3c4c(=O)oc5cc(OC(=O)[C@@H](N)C(C)C)c(OC)cc5c4n(C)c23)cc1OC(=O)[C@@H](N)C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGSMWVRYYHFWFJ-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYFGFJMHBPOSIN-ZBJSNUHESA-N", "SMILES:N#C/C(=C\\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRVIWQPCOCNVDV-UHFFFAOYSA-N", "SMILES:Cl.O=C1N(CC2CCNCC2)c2ccccc2C1(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIXPGAYGILPSJO-UHFFFAOYSA-N", "SMILES:O=C1N(Cc2ccc(Cl)cc2)c2ccccc2C1(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMAVHHFYENQDNL-UHFFFAOYSA-N", "SMILES:O=C1N(CC2CCN(Cc3ccccc3)CC2)c2ccccc2C1(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL107400", "category": ["biolink:ChemicalEntity"], "name": "SOBETIROME", "xref": ["InChIKey:QNAZTOHXCZPOSA-UHFFFAOYSA-N", "SMILES:Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1"], "synonym": ["Sobetirome", "Sobetiroma", "Sobetirome", "GC-1", "QRX-431", "Sobetirome"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4466711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWVFEENBJKSTRD-UHFFFAOYSA-N", "SMILES:CNC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJYFXQJMCBIDC-YHBQERECSA-N", "SMILES:CC1(C)CN(C(=O)[C@H]2CC[C@H](C(=O)O)CC2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQURMQAIODVIEL-SVBWBHDBSA-N", "SMILES:CC1(C)CN(C(=O)[C@H]2CC[C@H](C(=O)NCCOCCOCCOCCOCCOCCOCCn3cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc4ccc(F)c(F)c4)NC(=O)Nc4ccc5c(CN6CCCC6)nn(Cc6c(Cl)cccc6Cl)c5c4)C(=O)NCc4ccccc4)nn3)CC2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIVEFCFXCGPTI-HJWIMGJGSA-N", "SMILES:CC1(C)CN(C(=O)[C@H]2CC[C@H](C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc4ccc(F)c(F)c4)NC(=O)Nc4ccc5c(CN6CCCC6)nn(Cc6c(Cl)cccc6Cl)c5c4)C(=O)NCc4ccccc4)nn3)CC2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4523013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFHYRFUXMCJUNS-HJQLSMCBSA-N", "SMILES:CC1(C)CN(C(=O)[C@H]2CC[C@H](C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc4ccc(F)c(F)c4)NC(=O)Nc4ccc5c(CN6CCCC6)nn(Cc6c(Cl)cccc6Cl)c5c4)C(=O)NCc4ccccc4)nn3)CC2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGMJJPMEWXEFZ-KXLPFTAXSA-N", "SMILES:NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDRBBCZYXMNTK-IERDGZPVSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDRBBCZYXMNTK-KKSFZXQISA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCCXYVTXRUGAN-SSDOTTSWSA-N", "SMILES:C[C@@H]1CCc2cc(F)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCCXYVTXRUGAN-ZETCQYMHSA-N", "SMILES:C[C@H]1CCc2cc(F)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYVCKRQIPKGLQ-LLVKDONJSA-N", "SMILES:C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccnc4)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYZGIOJRQUALLF-SNVBAGLBSA-N", "SMILES:C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccc(N)nc4)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYVCKRQIPKGLQ-NSHDSACASA-N", "SMILES:C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccnc4)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYZGIOJRQUALLF-JTQLQIEISA-N", "SMILES:C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccc(N)nc4)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQJSVLJXJCBKAH-JTQLQIEISA-N", "SMILES:C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cncc(F)c4)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUENJGACFZQBHI-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1"]}
{"name": "Carboxylesterase/lipase Culp6", "xref": ["CHEMBL.TARGET:CHEMBL4523141"], "id": "UniProtKB:O53581", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCFFTAPCHIXHE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2[nH]c(-c3ccc4c(c3)OCO4)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGQXFRCIYCGOE-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1605748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXCYAVHGYGKEJY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)c1cccc2ccccc12"], "synonym": ["NSC-59936"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFSPOGIAVSTWMJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2ccccc2C(=O)O)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYZZNMSVRMWQGI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2ccccc2C(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQTARAUXHXVSJF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)c1cc(O)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUCLJRFJOTXIK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1C(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOSLUGMLIBMTOA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLQWRRITHKZOPW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1Nc1cc(OC)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDXUUVYOIAPBV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1Nc1ccc(OC)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDESSNCRKFOSGP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(Nc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCMCQFKDMRVNDS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(Nc2cc(OC)cc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGDJEPWCSHEGO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(Nc2ccc(OC)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL170408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVWYOYUZDUNRW-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2cccc3ccccc23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4443206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWEJPODVFPOQPE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTOBLZWWTONUKU-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccccc2C(=O)O)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYWYOFNXJMDSCI-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ccccc2C(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMJWQFOQYSJFU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cc(O)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQBSUBODTUXJD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1ccc(O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRLWXSPFJAKDKE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc2c(O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWWLUMAYVUEYMG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFCVXCVYHSOTB-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cccc(C(=O)O)c2)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPWMSFDFMVICHE-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cccc(C(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOUHSCSBSOATIU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2cc(O)cc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEVKXULODRDDDU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2ccc(O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPNMTFZRQOAORE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2cccc3c(O)cccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPPSTAPQUNMBB-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2cccc(C(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQHOODFZEFNVML-UHFFFAOYSA-N", "SMILES:Nc1cccc2c(Nc3cccc(C(=O)O)c3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNBDHFZXEKKDSP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1Nc1cccc2c(O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HODNJMGSORHTGT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(Nc2cccc3c(O)cccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCWPBGVOASZQE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1Nc1cccc2c(N)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGCAWUZIKNKDRE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(Nc2cccc3c(N)cccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHBWJLGIXMXHNJ-UHFFFAOYSA-N", "SMILES:Nc1cccc2c(Nc3ccccc3C(=O)O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOARHMNLCWEPG-DFTUVXBYSA-N", "SMILES:C/C=C(\\C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL272733", "category": ["biolink:ChemicalEntity"], "name": "PIERICIDIN A", "xref": ["InChIKey:BBLGCDSLCDDALX-LKGBESRRSA-N", "SMILES:C/C=C(\\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4516321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGUPKQRLKVPKIF-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCc1cc(C)c(OCc2cccc(-c3ccccc3)c2C)cc1OCc1cncc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRITEYTYHQVTF-UHFFFAOYSA-N", "SMILES:COc1nc(OCc2cccc(-c3cccc(COc4ccc(CNCCNC(C)=O)c(OC)n4)c3C)c2C)ccc1CNCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCINFJGGSQEHN-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCc1cc(C)c(OCc2cccc(-c3cccc(COc4cc(OCc5cncc(C#N)c5)c(CNCCNC(C)=O)cc4C)c3C)c2C)cc1OCc1cncc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACRWHUPEPCFHX-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMTYQNMRIBAHX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJOGTDNCYKJLOQ-SNAWJCMRSA-N", "SMILES:Cc1c(-c2c3c(N)n[nH]c(=O)c3nn2-c2ccc(NC(=O)/C=C/CN(C)C)cc2)oc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJFOHASZAXASED-UHFFFAOYSA-N", "SMILES:CC1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O"]}
{"name": "ATPase family AAA domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2150837"], "id": "UniProtKB:Q6PL18", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCRMTFNVBITLV-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBZFGHOJRLEBHD-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)NC(CCc2ccccc2)C1=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIHGKQLJAXJMTF-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)C1CCCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1731756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDRWBJOTJATPB-UHFFFAOYSA-N", "SMILES:O=C(CCNC(=O)c1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1875673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQFOJFJSLSNIAH-UHFFFAOYSA-N", "SMILES:CSCCC1NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQDEVDBINCIQD-UHFFFAOYSA-N", "SMILES:O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1608898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZEQXVHBSVQKGA-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1324835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RROWCPDRZSFBRF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHKFYFXRXIFWGK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1602822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDBKHHZODXUPKO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)cc1S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1494739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYHOBHDJJUTJK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUCRTGVFAFTQX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)cc1S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2138220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCSIBLDPZYQBH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1S(=O)(=O)N1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1711265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTOEFKBMJNVRD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1424006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRCNPUQDRIEFAP-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBIMDYALUJAPR-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEAAADYZDNBGJA-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGWNRFIOQUHLP-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Cn1cc(CNC2=C(Cl)C(=O)c3cccnc3C2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVHEVAIGMKFLS-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3csc4ccccc34)c(O)c(=O)c2c1"]}
{"name": "Beta-casein", "xref": ["CHEMBL.TARGET:CHEMBL3313833"], "id": "UniProtKB:P02666", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254316", "category": ["biolink:ChemicalEntity"], "name": "RALTEGRAVIR", "xref": ["InChIKey:CZFFBEXEKNGXKS-UHFFFAOYSA-N", "SMILES:Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1"], "synonym": ["Raltegravir", "Raltegravir", "Raltegravir", "Raltegravir", "Raltegravir", "L-000900612", "L000900612"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4533772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPNPZPJFRQLJN-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cccc(NC(=O)CSCCCCN=C=S)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWQNSXDQMQWLG-PVNFQGFPSA-N", "SMILES:CCCN(C(=O)CCCCCCC(=O)N(CCC)[C@H]1CC2=CC(=O)O[C@]23C[C@H]1N1CCCC[C@H]13)[C@H]1CC2=CC(=O)O[C@]23C[C@H]1N1CCCC[C@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNXCUHRGJSNHR-DQYXEDRYSA-N", "SMILES:CCCN(C(=O)CCCCCCCC(=O)N(CCC)[C@H]1CC2=CC(=O)O[C@]23C[C@H]1N1CCCC[C@H]13)[C@H]1CC2=CC(=O)O[C@]23C[C@H]1N1CCCC[C@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWXYLJBMJWJCB-DHAJZNIXSA-N", "SMILES:CCCN(C(=O)CCCCC(=O)N(CCC)[C@H]1CC2=CC(=O)O[C@]23C[C@H]1N1CCCC[C@H]13)[C@H]1CC2=CC(=O)O[C@]23C[C@H]1N1CCCC[C@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFNYMPJOAZCEFO-TWSUWOAASA-N", "SMILES:CCCN(C(=O)CCCCCCCCC(=O)N(CCC)[C@H]1CC2=CC(=O)O[C@]23C[C@H]1N1CCCC[C@H]13)[C@H]1CC2=CC(=O)O[C@]23C[C@H]1N1CCCC[C@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1984399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOXNBNYWEWJUTM-SNAWJCMRSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(F)c1"]}
{"name": "Fructose-1,6-bisphosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL3975"], "id": "UniProtKB:P09467", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWPMONBGNBYCJ-AATRIKPKSA-N", "SMILES:N#Cc1ccc(/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEQZPMVCEXVJKR-AATRIKPKSA-N", "SMILES:C=Cc1c(OC)cc(/C=C/c2ccc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUDLEUZKVJXSZ-VPCXQMTMSA-N", "SMILES:C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4434721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPTXZYAGUHKIK-UHFFFAOYSA-K", "SMILES:O=c1ccn(COCCOP(=O)([O-])CP(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDIVEDZWMQMCHD-UHFFFAOYSA-K", "SMILES:O=c1ccn(COCCOP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGNBLEMYTVSCCH-UHFFFAOYSA-N", "SMILES:O=c1ccn(COCCOP(=S)(S)OP(=O)(O)CP(=O)(O)O)c(=O)[nH]1"]}
{"name": "Ectonucleoside triphosphate diphosphohydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL5722"], "id": "UniProtKB:P49961", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXXYVBLECNMRK-UHFFFAOYSA-N", "SMILES:O=c1ccn(COCCOP(=S)(S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)c(=O)[nH]1"]}
{"name": "Ectonucleoside triphosphate diphosphohydrolase 2", "xref": ["CHEMBL.TARGET:CHEMBL5049"], "id": "UniProtKB:Q9Y5L3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ectonucleoside triphosphate diphosphohydrolase 3", "xref": ["CHEMBL.TARGET:CHEMBL5897"], "id": "UniProtKB:O75355", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ectonucleoside triphosphate diphosphohydrolase 8", "xref": ["CHEMBL.TARGET:CHEMBL5338"], "id": "UniProtKB:Q5MY95", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYXDJZONXJPJO-UHFFFAOYSA-N", "SMILES:O=c1ccn(COCCOP(=S)(S)OP(=O)(O)O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GURWESIIDSQNMW-UHFFFAOYSA-N", "SMILES:O=c1ccn(COCCOP(=S)(S)OP(=O)(O)OP(=O)(O)O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCVYLGLBRYMTLX-SDNWHVSQSA-N", "SMILES:CC(C)c1ccc(/C=C/c2nc(NCCN(C)C)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIEQGIWXGQJLGN-KPKJPENVSA-N", "SMILES:CC(C)c1ccc(/C=C/c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDFNIDALAFPZPM-IZZDOVSWSA-N", "SMILES:CN(C)CCNc1nc(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCEGYFYGGNMXMU-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(Nc3nc(Nc4ccc(NC(=O)CCCCCCC(=O)NO)cc4)nc4cc(OC)c(OC)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIXDJJMFOGCJE-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=Cc2ccc(Cl)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBFDNAGDZEBHA-YGCVIUNWSA-N", "SMILES:CN1CCN(C(=O)COc2ccc(C(=O)/C=C/c3ccccc3C(F)(F)F)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYBPXEHHLGCBKE-JYKYECGASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O"]}
{"name": "Outer membrane porin F", "xref": ["CHEMBL.TARGET:CHEMBL4523189"], "id": "UniProtKB:P13794", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFUNDHGARZIHHN-VPWFJODHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDKLCWWNDWHED-GLLCWBPJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMBSRYQHVJYRRM-UHFFFAOYSA-N", "SMILES:O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc(=O)[nH]cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKKKMAMQMSUHK-AQHRCUNFSA-N", "SMILES:N#C/C(=C\\C=C\\c1ccc2c(c1)OCO2)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYQFLNHEULFMEY-FLGOTCTISA-N", "SMILES:N#C/C(=C\\C=C\\c1ccc2c(c1)OCO2)C(=O)OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMGGLRRJVAZNKZ-REZHQCRGSA-N", "SMILES:O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJHXVSJWHHQHNK-VCXFDYNHSA-N", "SMILES:N#C/C(=C\\C=C\\c1ccc2c(c1)OCO2)C(=O)N1CCCCC1"]}
{"name": "NEDD8-conjugating enzyme UBE2F", "xref": ["CHEMBL.TARGET:CHEMBL4523422"], "id": "UniProtKB:Q969M7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBIZTQOSVURFEZ-UHFFFAOYSA-N", "SMILES:COCCn1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZGLUVGOPLJHRK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(NC(=O)c2cc(C)on2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1965733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIAJMGUHCYPMTB-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=O)c(-c3csc(C)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZUTQQJPXSUMK-UHFFFAOYSA-N", "SMILES:COCCN1CCOc2nc3c(C)cccc3cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFTXOIIKGOXDOT-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)c(-c3nc4cnccc4[nH]3)cc2c1"]}
{"name": "UDP-glucose 6-dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL4523146"], "id": "UniProtKB:O70199", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3544573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXHQUGJSTGOXMD-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=S)c2[nH]c(=O)[nH]c2[nH]1"]}
{"name": "UDP-glucuronosyltransferase 1A1", "xref": ["CHEMBL.TARGET:CHEMBL4523339"], "id": "UniProtKB:Q64550", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWRBOGGUHDEKA-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc2ccccc2nc1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQCPYPGVFAEMZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc2ccccc2nc1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULICCOJGPWQTR-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc2ccccc2nc1-c1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVYLEBRNACKPSM-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc2ccccc2nc1-c1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKRSFNFONVSCZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc2ccccc2nc1-c1nc2cc(Cl)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSJSGILMMPHNTM-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3nc4ccccc4nc3NCCCN(C)C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBQTJRASOYMCQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc2ccccc2nc1-c1nc2ccc(Cl)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBCGAZVHQXPRJX-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3nc4ccccc4nc3NCCCN(C)C)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIFOZISKNCMJJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc2ccccc2nc1-c1nc2cc(Cl)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXNMESKOMMZKQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc2ccccc2nc1-c1nc2cc(C)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGQYYYBXLHZOH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc2ccccc2nc1-c1nc2ccc(Cl)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGLGTRBJAAXPES-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc2ccccc2nc1-c1nc2ccc(C)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMONGIHNDXAKGU-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCCC1C3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBBTBMJVZGTJA-HXCBHILRSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)/C=C/c1c(OC)cccc1OC)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPKXCRPKJBBKR-YVNNLAQVSA-N", "SMILES:Cn1cc(/C=N\\NC(=O)c2cn(C)c3ccc(Br)cc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSNGNPLURZQGM-CJLVFECKSA-N", "SMILES:CCN(CC)CCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCOYUSJXXCHFH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1nnc(-c2ccncc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOOJNZDKSPVLSL-HEHNFIMWSA-N", "SMILES:CCN(CC)CCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLNKZKHCFPQSQR-HAVVHWLPSA-N", "SMILES:CCN(CC)CCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXGICOIARFRZPM-NBVRZTHBSA-N", "SMILES:CCN(CC)CCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSLFQCNAOMQAIH-WJDWOHSUSA-N", "SMILES:O=C(O)c1cc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)ccc1Cl"]}
{"name": "ERO1-like protein alpha", "xref": ["CHEMBL.TARGET:CHEMBL1671609"], "id": "UniProtKB:Q96HE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCPAFKAGCJQKS-CPNJWEJPSA-N", "SMILES:CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDDUFADNSOPAU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C)c3c(-c4ccc(O)c(O)c4)c(C#N)c(N)nc32)cc1C"]}
{"name": "Non-structural protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4523164"], "id": "UniProtKB:P03496", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:211044"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFQNNWJGBVXROK-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)cc2)c2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDYBEJUGJIPPR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(F)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBRHGNCGFMRGSV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc3c2c(C)nn3-c2ccc(C(F)(F)F)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCGDIICSZWHCQX-UHFFFAOYSA-N", "SMILES:O=C(NCCCc1ccccc1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYMFYAVAICJIEE-KRFWEUHSSA-N", "SMILES:COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLSOZXFUWKISF-KRFWEUHSSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXIDKCBFUCHYKP-BQHBAAMWSA-N", "SMILES:COc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1\\SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCFOHOLJVXFNIK-KRFWEUHSSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXECZDIZCNSGOT-QHKNXTSZSA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHIPNNUPWLSIQO-MVEZSNKKSA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKMOVFWDGAQEB-KDYMBEQYSA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJBEAIDPPZNFX-KDYMBEQYSA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLFROSENILKLY-KDYMBEQYSA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXGKSQUZKWWQHH-UOAMGUFGSA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDAGKGTFZCBJM-KDYMBEQYSA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFOKZIXCCCZCJ-KDYMBEQYSA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2Cl)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSCZSHSUKYAQRV-BKUYFWCQSA-N", "SMILES:O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVSWKDHUADJLS-QNGOZBTKSA-N", "SMILES:O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBZKOVALZBMLBQ-NDENLUEZSA-N", "SMILES:O=C(O)CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZRUFXRUVZXKEG-ZHZULCJRSA-N", "SMILES:O=C(O)CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGPAQFHNPOHDY-ODLFYWEKSA-N", "SMILES:O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSRVYXQOXYGCLR-UYRXBGFRSA-N", "SMILES:O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUZQYKYGVHDDBX-ZDLGFXPLSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUVWTFQUMZLIG-PDGQHHTCSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSAJXXRUPQCLKB-WQRHYEAKSA-N", "SMILES:COc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1\\SC(=S)N(CC(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYICSHGSODSCK-BKUYFWCQSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHIIYOQGBHJAFL-WQRHYEAKSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\\SC(=S)N(CC(=O)O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MASHZQIAHILAKC-YVLHZVERSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWZJECWRLVFNT-YVLHZVERSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDERKNVUSXBFED-YVLHZVERSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1935325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAFPIIQEWCRVCT-YVLHZVERSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBPXYVJHZMCTQW-HYRWWAMRSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O[C@H]4[C@H](OC(=O)[C@]56CCC(C)(C)C[C@H]5C5=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9O[C@H](CO[C@@H]%10OC[C@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@H]9O)C(C)(C)[C@@H]8CC[C@@]7(C)[C@]5(C)CC6)OC[C@@H](O)[C@@H]4O)O[C@H]3C)OC[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1987065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTMCZTSKCXEXCO-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(N2CCOCC2)C(=O)c2c(O)ccc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKTHKZQEUMDKTD-YTXTXJHMSA-N", "SMILES:CCC/C=C/C=C/CCc1cc(O)cc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL479035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOVBAVJQHJYOID-MDVLYUJXSA-N", "SMILES:COc1cc([C@H]2OC(=O)[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4463166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOYGZLGTICNFC-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc2c(=O)c3c(O)cc(O)cc3oc2cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4467860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFBRVLVWZEEIJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(=O)c2c(O)cc(O)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4442994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGOJJRSKZLRLC-ZETCQYMHSA-N", "SMILES:CC[C@H](C)c1cc(=O)c2c(O)cc(O)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4461328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUITYPXKFZGOFR-NSVAZKTRSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@H](OS(N)(=O)=O)[C@@H]1CC(CCCCCC)=C2c1ccccc1"]}
{"name": "Steroidogenic factor 1", "xref": ["CHEMBL.TARGET:CHEMBL4666"], "id": "UniProtKB:Q13285", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COQCBADNBTZWQG-NSVAZKTRSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@H](NS(N)(=O)=O)[C@@H]1CC(CCCCCC)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPBGUPBXHQIWOB-XEVVZDEMSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@H](NC(C)=O)[C@@H]1CC(CCCCCC)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOQAQRQQNJREL-HNNXBMFYSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"name": "NAD-dependent protein deacetylase", "xref": ["CHEMBL.TARGET:CHEMBL4523517"], "id": "UniProtKB:T1VXA1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6183"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTZGEQFWHKFJF-QHCPKHFHSA-N", "SMILES:CCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKSPCHLDLXKPS-VWLOTQADSA-N", "SMILES:CCCCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHIRJQWZODYHM-LJAQVGFWSA-N", "SMILES:CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXHKJMFLBSVPB-HKBQPEDESA-N", "SMILES:CCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUQGVDDDYCWLP-MHZLTWQESA-N", "SMILES:CCCCCCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMYGCQKNGQTPPO-CUTUZSLCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)O"]}
{"name": "BTB/POZ domain-containing protein KCTD12", "xref": ["CHEMBL.TARGET:CHEMBL4523424"], "id": "UniProtKB:Q96CX2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDJFTDUZHNFANA-PZHHLFOLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTHNPLPIBGUFAT-BUJZZWPQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAZBTKIJNGBOV-YCBDEPAUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXIKAKDQSWEGD-OTCGJLJRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C"]}
{"name": "BTB/POZ domain-containing protein KCTD8", "xref": ["CHEMBL.TARGET:CHEMBL4523356"], "id": "UniProtKB:Q6ZWB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUNKHGAACNCRBW-JOSNSTMLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)O"]}
{"name": "BTB/POZ domain-containing protein KCTD16", "xref": ["CHEMBL.TARGET:CHEMBL4523340"], "id": "UniProtKB:Q68DU8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLRRNZKAWBUCH-BRQCNEMXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C"]}
{"name": "BTB/POZ domain-containing protein KCTD8", "xref": ["CHEMBL.TARGET:CHEMBL4523317"], "id": "UniProtKB:Q50H33", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "BTB/POZ domain-containing protein KCTD12", "xref": ["CHEMBL.TARGET:CHEMBL4523353"], "id": "UniProtKB:Q6WVG3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "BTB/POZ domain-containing protein KCTD16", "xref": ["CHEMBL.TARGET:CHEMBL4523323"], "id": "UniProtKB:Q5DTY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418661", "category": ["biolink:ChemicalEntity"], "name": "E-64C", "xref": ["InChIKey:SCMSYZJDIQPSDI-SRVKXCTJSA-N", "SMILES:CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4528213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGMYCVKXBHDEV-UHFFFAOYSA-N", "SMILES:CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC3CC3)cc21"]}
{"name": "Spindlin-1", "xref": ["CHEMBL.TARGET:CHEMBL4523509"], "id": "UniProtKB:Q9Y657", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUFHRHQTFNIPQ-UHFFFAOYSA-N", "SMILES:NC1=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC3CC3)cc2C12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSNDVCODIMOFX-MPKOGUQCSA-N", "SMILES:O=C1CCC(N2Cc3c(CCCCCNC(=O)c4ccc(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)Nc7cc(Cl)ccc76)[C@H]5c5cccc(Cl)c5F)cc4)cccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3693969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHBZDASUSDFFIL-MFSJNOQSSA-N", "SMILES:CNC(=O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BANRYGZZIMCKNA-OYGJEQPESA-N", "SMILES:O=C1CCC(N2Cc3c(CCCCCNC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)Nc6cc(Cl)ccc65)[C@H]4c4cccc(Cl)c4F)cccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSRWJMEGVKWES-WPTDRQDKSA-N", "SMILES:Cc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2cc(C(=O)O)ccc2n1C/C(F)=C/CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGMSHCJIWHISY-IRJFHVNHSA-N", "SMILES:COC(=O)N1CCN([C@H]2CC[C@H](Nc3nc(Nc4cnn(C)c4)nc4ccc(CC#N)nc34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFRZMCRPHNZOC-QAQDUYKDSA-N", "SMILES:COC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnc4ccc(C#N)cc34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFPKBESLGWGFJQ-DSUMSCBMSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H]1C2=C(C)C(=O)N[C@]2(O)C[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4457343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDEKTLHANMKMTR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)=O)c(O)c2nccc(-c3ccccc3NC(=O)c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POMHFYCFTZTHOG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(-c3cc(F)ccc3O)ccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLISXOVPVKOKNV-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCOCC1)Nc1ccc2c(-c3cc(F)ccc3O)ccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEVMAVCOYHIKDV-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)Nc1ccc2c(-c3cc4ccccc4o3)ccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUOULNVAKXPOF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(C)c(NC(=O)c2ccc(-c3ccccc3Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOIBIRQLLMOENW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSHXBRDUHHNCK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWPXKNJHQXYKGO-NMNPZVDOSA-N", "SMILES:NC(=O)c1cccc(C#CCN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWRZNXFHSFVKD-RUZDIDTESA-N", "SMILES:CCC[C@@H](NC(=O)c1ccc(-c2c(Cl)cccc2-c2nc3ccccc3[nH]2)c(C(=O)O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3184840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMAXEWLXWJGSF-PEWBXTNBSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4580215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCRJFYZSIFGDIG-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NCCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHNUPLUQJFLSLN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(N(CCO)c2nc(-c3sc(NC(=O)C(C)(C)C)nc3C)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCUBJOCYQZTYNE-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(N(CCO)C2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBGTUHVUTOSJOJ-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cccc(C(=O)O)c2)n1"]}
{"name": "Ornithine decarboxylase antizyme 1", "xref": ["CHEMBL.TARGET:CHEMBL4523241"], "id": "UniProtKB:P54368", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL165579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKFTCVCBKNJNM-UHFFFAOYSA-N", "SMILES:CC(N)CCNCCCCNCCC(C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVOXPLLFQZKIE-UHFFFAOYSA-N", "SMILES:CC(CN)CNCCCCNCC(C)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUYBGHCEXIPBFW-UHFFFAOYSA-N", "SMILES:CC(CCN)NCCCCNC(C)CCN"]}
{"name": "Spermine oxidase", "xref": ["CHEMBL.TARGET:CHEMBL2176769"], "id": "UniProtKB:Q9NWM0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Diamine acetyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4286"], "id": "UniProtKB:P21673", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRILCFTWUCUKJR-INFSMZHSSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOVOZSRJRSWHB-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526896", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLRPNFQUWGXPW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c2n1CCCNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282264", "category": ["biolink:ChemicalEntity"], "name": "A-485", "xref": ["InChIKey:VRVJKILQRBSEAG-LFPIHBKWSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDEZYUOBIXKTHI-NVQXNPDNSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)CC[C@]32NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNLXRMWTDFRWPG-UHFFFAOYSA-N", "SMILES:C#CCN1CCC(CCc2ccc(C(C)C)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWKNKSZYCOGBS-BJILWQEISA-N", "SMILES:C#CCN1CCC(/C=C/c2ccc(F)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPGCCQAGSSWRN-FBVSLTPNSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCC1)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLACHACEIOQHPF-JFPIBWRESA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATUHRQFULMOQPR-UFYCRDLUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CCCCCCCCCCCNC(=O)[C@H](C)NC(=O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYFUODSTPUPZPS-HFMPRLQTSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CCCCCCCCCCCNC(=O)[C@H](C(C)C)NC(=O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHOYBWZZOVUMMB-PMVMPFDFSA-N", "SMILES:C[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTRRUFDJLIEMLS-DPZBCOQUSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODYKNIUEHYGIE-FXSPECFOSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSFCSRFSEZSSMO-VBOOUTDYSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGCBFHJAJXLEEK-ZEZDXWPOSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVJWNQBTFYUMOS-VWYPKUQYSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZCVARIDAMNNV-QYDYLWNGSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHAYWUXSQFBNMC-DPZBCOQUSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHDDDDINRNREF-DPZBCOQUSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVEYGGNEADSRPF-DPZBCOQUSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(F)cc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVGYVPDCBBGLM-DPZBCOQUSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXFLZKBUQFSQZ-VBOOUTDYSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](CSCc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPIQLEFFPFORMQ-DPZBCOQUSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPJCIFAMILVQN-JHFJJOSTSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXUTAMQJHSADZ-ZEZDXWPOSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOSLVKUEZLHWGS-WFXMLNOXSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](CS)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLHYCOZSDSMTFO-HFMPRLQTSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2cscn2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKSHQLWRZFNIF-KCHLEUMXSA-N", "SMILES:O=C1C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc2cccnc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYBGNDUMJDJKA-VOGKQTDESA-N", "SMILES:CC[C@@H](C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCOOKNHMGQCTBG-VWYPKUQYSA-N", "SMILES:O=C1C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC(=O)[C@H](C2CCCCC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYKLPRVNXSFXRG-AWCRTANDSA-N", "SMILES:O=C1C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLTZPWERCPQEA-KCHLEUMXSA-N", "SMILES:CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQQIKYDMWMUCPZ-VWYPKUQYSA-N", "SMILES:O=C1C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC(=O)[C@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBAWKGMQHHUMPK-OUVPSQHASA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMKVRKXOYBACS-RZGHOXDUSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISMDILRWKSYCOD-GNKBHMEESA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVUGIKHYNPROAK-GNKBHMEESA-N", "SMILES:CC(C)[C@@H]1NC(=O)NC[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XESPVRXMKMJFDF-HFMPRLQTSA-N", "SMILES:CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCOCCOCCOCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUHRDSHXINRAW-SQHAQQRYSA-N", "SMILES:CC(C)[C@@H]1NC(=O)CC[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O"]}
{"name": "Saccharopepsin", "xref": ["CHEMBL.TARGET:CHEMBL4451"], "id": "UniProtKB:P07267", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWIIGSNDGENBB-VAQYAFAPSA-N", "SMILES:C[C@@H]1C(=O)C(C#N)=C[C@]2(c3ccccc3)c3nc(Nc4ccccc4)ncc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UALACOPEMJMVGN-VAQYAFAPSA-N", "SMILES:C[C@@H]1C(=O)C(C#N)=C[C@]2(c3ccccc3)c3nn(C(=O)c4ccccc4)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVFDDVKCCBDPQZ-QZTJIDSGSA-N", "SMILES:C[C@@H]1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)Nc3cccc([C@@H](C)O)c3)nn(Cc3ccc(F)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMVLPLMOADXKBC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(CNc3ccc(-c4nc5ccccc5[nH]4)cc3F)cc2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXCHHWOWYQRGIU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(CNc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZLHDYTSGTALL-OVAHYCHWSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYKDAYDGXIGHC-OVAHYCHWSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591726", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466058", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515660", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUDLFCLCGPHPV-UHFFFAOYSA-N", "SMILES:Cc1nc2c(-c3nnc[nH]3)cc(-c3ccnc(N)c3F)cc2n1-c1cc(=O)[nH]c2c(F)ccc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBVBUGSOYHJGGD-UHFFFAOYSA-N", "SMILES:Cc1nc2c(-c3nnc[nH]3)cc(-c3ccnc(N)c3F)cc2n1-c1ccnc2c(F)ccc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICCLFFOMXSVQEY-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCNc2c3c(nc4ccccc24)CCCC3)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSCFPNWXPJKIJ-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCCNc2c3c(nc4ccccc24)CCCC3)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOMQPMSXRFFEI-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCCCNc2c3c(nc4ccccc24)CCCC3)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYCOMPFZMVXRX-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJDSOILEHCUAK-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVMSTDMUTJXRTC-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIQJBUDKQVBLT-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBQIVARJJWYNRS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2csc(NC(=O)CCN3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STKZJPQZNBVHCZ-ATVHPVEESA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2cccc(OCCc3ccccc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZZNZZMORFHGM-ATVHPVEESA-N", "SMILES:O=C(O)CN1C(=O)S/C(=C\\c2cccc(OCCc3ccccc3)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZFXLIGFDCCNG-UHFFFAOYSA-N", "SMILES:Cc1nc(CCN2CCCN(Cc3ccc(C(C)C)cc3)CC2)cc(-c2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBJKRDUQQNPIJ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CN2CCCN(CCc3cc(-c4cccs4)nc(-c4ccncc4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMARDYOIJIXAC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CN2CCCN(CCc3cc(-c4cccs4)nc(-c4ccncc4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UALMQFYDPGPLIO-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUVKMPNGDZPBBV-SOFGYWHQSA-N", "SMILES:CCN(CC)C(=O)/C=C/c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFPVZTZIBYRPGW-UHFFFAOYSA-N", "SMILES:N#Cc1c(Br)cccc1NC(=O)CCN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQHYRNLWHCPXOV-YFAHWBCYSA-N", "SMILES:CN(C)CCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nccnc5[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGEOHQTUDWEXGS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(OC)ccc3nc2Nc2ccc(NC(=O)CN3CCN(C)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVVHIGKXWKVHSK-KQGICBIGSA-M", "SMILES:C(=C/c1ccccc1)\\C[N+]12CN3CN(CN(C3)C1)C2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXSUDOUXNCTJMM-TYYBGVCCSA-M", "SMILES:ClC/C=C/C[N+]12CN3CN(CN(C3)C1)C2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKVSKQNYIHXPX-FQEVSTJZSA-N", "SMILES:O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCMPPZDSFCAMPR-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZLZCRFQZXSBPO-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZUPUSHMYZSANO-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2nc3ccc(N4C=CC(N5CCCC5)CC4)nn3c2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFGJSKYTVQTAJN-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1cccc(O)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFZFCAPLDZETOW-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1ccc(Br)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHGOZRGVWCOFTD-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1cc(O)cc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQGFWDNXDDPGY-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1cc(O)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRKLGGCBKIKQIQ-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1ccc(Br)c(O)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLUFUBWIUOFNCW-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1cc(O)c(Br)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXDRFNXDKSMPC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVPJYLXYKGIRPC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIWTAJUERGDPI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHQGUOXZCKHKM-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Nc2nc(-c3ccc[nH]3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIHDUJEBIVBBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJOUPFIBJIIBB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJZIGCXRSSFHL-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1ccc(OCCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAKVEWGOEMZVEF-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1ccc(OCCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQOZFSIWRBDGOG-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1ccc(OCCCN2CCCCC2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBQQFJIXGEUPB-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1ccc(OCCCN2C(C)CCCC2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUYHLUSDHATNS-UHFFFAOYSA-N", "SMILES:COc1c(C(=O)CCC2CCN(CC3CCCCC3)CC2)cc(Cl)c2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTRZTHFGTILUPE-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZTALFUHUNRMHV-UHFFFAOYSA-N", "SMILES:Cl.NOC(c1ccccc1)c1cc(Cl)cc(Cl)c1"]}
{"name": "Aquaporin-2", "xref": ["CHEMBL.TARGET:CHEMBL4523224"], "id": "UniProtKB:P41181", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGPKPCJHHWZBLN-UHFFFAOYSA-N", "SMILES:Nc1cc(OCc2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4482878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLWUWYLBNAXLU-UHFFFAOYSA-N", "SMILES:Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTLBEWBBCSETN-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(Nc2ccc(Cl)cc2Cl)[nH]c2c(Cl)ccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXLMMDYZWFFAQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)cc3)c1=O)COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673415", "category": ["biolink:ChemicalEntity"], "name": "PALMOSTATIN B", "xref": ["InChIKey:ASVWFAVGLYUDFD-PMACEKPBSA-N", "SMILES:CCCCCCCCCC[C@@H]1C(=O)O[C@H]1CCc1ccc(OC)c(OC)c1"]}
{"name": "Phosphatidylserine lipase ABHD16A", "xref": ["CHEMBL.TARGET:CHEMBL4523343"], "id": "UniProtKB:Q6MG55", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMXNKQYIZKJTOG-UHFFFAOYSA-N", "SMILES:COc1nn(-c2ccc(F)cc2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVKLBXJBSZKNIU-NQHRYMMQSA-N", "SMILES:COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(-c4csc(C#N)n4)c(C(C)C)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIJQTLKLADNVKF-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.Cl.c1cc(NCCN2CCOCC2)c2ccc3c(ccc4c(NCCN5CCOCC5)ccnc43)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOLFEDVPLJIWNM-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.Cl.c1cc(NCCCCN2CCOCC2)c2ccc3c(ccc4c(NCCN5CCOCC5)ccnc43)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290814", "category": ["biolink:ChemicalEntity"], "name": "BAFILOMYCIN A1", "xref": ["InChIKey:XDHNQDDQEHDUTM-JQWOJBOSSA-N", "SMILES:CO/C1=C\\C(C)=C\\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4587222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVQZLVAKXRTHU-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(=O)CSC5c5c(F)cccc5F)cc4F)c3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRQRSNVMWWBMB-UHFFFAOYSA-N", "SMILES:C#CCNCc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMCVOGBZQPRMQ-QOCHGBHMSA-N", "SMILES:Nc1ccc(C/N=C2/C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQDKFJMCRKUNIS-RWEWTDSWSA-N", "SMILES:C#CCNCc1ccc(C/N=C2/C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDUCNZJQCHSDNX-UHFFFAOYSA-N", "SMILES:C#CCNCc1ccc(CNC2C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLBNGFUQKDAVKH-UHFFFAOYSA-N", "SMILES:C#CCNCc1ccc(CNC23OC4C5C6CC(C7C6C4C72)C53)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDMFMXZZMDKKFK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCNc1ccc(F)c(C(N)=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJIKUXUKSADFV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FECGNZAYTJHJIY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(OCC3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)C1(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPIHNVDLTFAAEW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)ncn2Cc1ccc(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNXYKUQICQQIS-IOWSJCHKSA-N", "SMILES:CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(OC)c2)c1"]}
{"name": "Plasmepsin X", "xref": ["CHEMBL.TARGET:CHEMBL4523390"], "id": "UniProtKB:Q8IAS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUVGCXOHCGRTK-IOWSJCHKSA-N", "SMILES:CCCN(CCC)C(=O)c1cc(F)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXZKVZPYBMCFET-SZAHLOSFSA-N", "SMILES:CCN(CC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(OC)c2)cc(N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGAQGTBXHZGAGE-OHGISNTKSA-N", "SMILES:Cl.O=S(=O)(/C=C/c1ncccc1F)c1ccc(OCCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGTBDYUKVYUOHD-UHFFFAOYSA-N", "SMILES:CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKZSQFCCBXZCQS-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCCCC(=O)NO)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQNRJUPFEMJKDZ-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCCCCC(=O)NO)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVHYBBFEIGUQI-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCCCCCC(=O)NO)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANPOOXGLUJDCFJ-UHFFFAOYSA-N", "SMILES:Cn1nc(C2=C(c3cn(CCCn4ccnc4)c4cc(Br)ccc34)C(=O)NC2=O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYURJYDYOVNMJ-UHFFFAOYSA-N", "SMILES:O=c1oc(-c2ccc3c(c2)OCO3)cc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNINQHXDGNYGBX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cccc(O)c3c(=O)o2)cc1"]}
{"name": "BDNF/NT-3 growth factors receptor", "xref": ["CHEMBL.TARGET:CHEMBL4523190"], "id": "UniProtKB:P15209", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIYCPAVXJVWHRA-UHFFFAOYSA-N", "SMILES:O=C(CCC1NC(=O)NC1=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAIWXKBZNMXPEK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ccc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFOCQUAETSVAIY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLGRAWDGLMENOD-UHFFFAOYSA-N", "SMILES:CC(C)(O)C(=O)N1CCN(c2ccc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIMLKZKPNALXKK-UHFFFAOYSA-N", "SMILES:Cl.O=C1c2ccccc2C(=O)c2c1cccc2-c1cnn(C2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APOWODFEIYMQEK-UHFFFAOYSA-N", "SMILES:CN(C)c1c(N(C)CCCN=C=S)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQVKHQZDJBPJR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2c(C3c4ccccc4C(=O)N3CC(=O)O)c3ccccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FILGLJILLSAIJW-UHFFFAOYSA-N", "SMILES:CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCC(=O)O)C2=C1CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJRDUSCVJFJNTD-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C(C)=O)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYEVWZHTBYTQQI-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODRITQGYYWHQGM-INIZCTEOSA-N", "SMILES:Cc1n[nH]c2ncc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBJAOVQVJNRNPY-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIGIQOLZJSTRO-ABORLPSJSA-N", "SMILES:C=C1C(=O)O[C@@H]2/C=C(\\C)CC/C=C(\\C)C[C@@H](C(=O)/C(=C/CO)CO)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4447340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAAPZIFCQQQKX-NDEPHWFRSA-N", "SMILES:CC1=C(c2cccc(O)c2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUDSRGEWFOPJJ-NDEPHWFRSA-N", "SMILES:CC1=C(c2ccc(F)cc2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRMMZQGLMLPQAV-UHFFFAOYSA-N", "SMILES:O=C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccc([As]2SCCCS2)cc1.[Cl-]"]}
{"name": "Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523180"], "id": "UniProtKB:P10515", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTHCDZYUWETPZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c3c(O)ccc4ccccc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMAOIPDQNRBBFX-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)c3c(O)ccc4ccccc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMZTARURFXRFN-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c3c(O)ccc4ccccc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUVDYELVPACRFH-DHZHZOJOSA-N", "SMILES:COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL507998", "category": ["biolink:ChemicalEntity"], "name": "HELICHRYSETIN", "xref": ["InChIKey:OWGUBYRKZATRIT-QPJJXVBHSA-N", "SMILES:COc1cc(O)cc(O)c1C(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4562008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFKHGTSWNJWDCB-LBTNJELSSA-N", "SMILES:COc1cc([C@@H]2c3c(cc4c(c3OC)OCO4)C[C@@H]3COC[C@H]32)cc2c1OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4452943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEUZHCPYJDGQKN-AYSIYUGUSA-N", "SMILES:COc1ccc(C[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](CO)C(=O)N(C)[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)CSCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C)cc1"]}
{"name": "Nonstructural protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4523954"], "id": "UniProtKB:A0A024AXB9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:64320"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGYGOOYCNTEQO-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)n(-c2cccc(-c3ccccc3)c2)cc1Cl"]}
{"name": "Methylcytosine dioxygenase TET1", "xref": ["CHEMBL.TARGET:CHEMBL4523402"], "id": "UniProtKB:Q8NFU7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Methylcytosine dioxygenase TET2", "xref": ["CHEMBL.TARGET:CHEMBL4523344"], "id": "UniProtKB:Q6N021", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVJSNLQHNQFVGD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1381178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJFUZLNVSGATG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(COc2ccc3c(c2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1468323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJGPEMVLUHQHIV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3c(c2)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSNTYCPGOOWCF-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(C3CC(c4ccc(OC)c(OC)c4)=NN3C(C)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSSNAQSZKBUOO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1ccc2cnn(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFZYDJFQTYCQO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1ccc2cn(C(C)C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVCERQGPZRIFE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1ccc2cnccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFKCBYDGPVVDCO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)CC(=O)Nc1ccc2ncn(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJYRIWUQISYYHA-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2c(C3CC3)c(Cl)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVSILNVTAWKPSC-ICSRJNTNSA-N", "SMILES:N[C@@H](CS)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBBTMSGDXVWLV-UHFFFAOYSA-N", "SMILES:O=C1Cn2cc(-c3ccccc3)nc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZRMCNEALKLQM-UHFFFAOYSA-N", "SMILES:O=C1CCn2cc(-c3ccccc3)nc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKPUSLZUBBGMMZ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(-c4cccs4)c3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGKDFCDLXWIHR-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2coc3cc4oc(=O)c(-c5nsc(=O)o5)c(C)c4cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYTXALPOSQSMU-UHFFFAOYSA-N", "SMILES:Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(C4CCCCC4)c3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDUAATUGGFNHG-LZYBPNLTSA-N", "SMILES:NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIAZDKZPNFTIJ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(Oc2ccc(-c3[nH]c4cccc(F)c4c(=O)c3C)cc2F)cc1"]}
{"name": "Dedicator of cytokinesis protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4523288"], "id": "UniProtKB:Q14185", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sialate O-acetylesterase", "xref": ["CHEMBL.TARGET:CHEMBL4523459"], "id": "UniProtKB:Q9HAT2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Membrane protein MLC1", "xref": ["CHEMBL.TARGET:CHEMBL4523299"], "id": "UniProtKB:Q15049", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVMUGRSUGHRYEC-GUZWRBQESA-N", "SMILES:CO[C@H]1[C@H](O[C@H]2/C=C\\C=C\\c3coc(n3)[C@H](C)[C@H](OC)C[C@@H](O)/C=C/C=C/C=C\\[C@H](C)[C@@H]([C@@H](C)[C@@H](O)C[C@@H](C)O)OC(=O)/C=C\\C=C\\C=C/C(C)=C/[C@H]2C)O[C@H](C)[C@@H](O)[C@@H]1OC"], "chembl_natural_product": true}
{"name": "Actin, alpha skeletal muscle", "xref": ["CHEMBL.TARGET:CHEMBL4523260"], "id": "UniProtKB:P68135", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATQKOUYCGKRYRF-FIEVXVAVSA-N", "SMILES:CO[C@@H]1C[C@@H](O)/C=C/C=C/C=C\\[C@H](C)[C@@H]([C@@H](C)[C@@H](O)C[C@@H](C)O)OC(=O)/C=C\\C=C\\C=C/C(C)=C/[C@@H](C)[C@@H](O)/C=C\\C=C\\c2coc(n2)[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL411879", "category": ["biolink:ChemicalEntity"], "name": "LATRUNCULIN B", "xref": ["InChIKey:NSHPHXHGRHSMIK-JRIKCGFMSA-N", "SMILES:C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4530881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORINMJLHKPGGJE-CJNHZXBUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAICHWHCFQOCAR-TUHZMCCPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAICHWHCFQOCAR-MLPJQUDWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNLSIXFLAANLQ-JGWORRRUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCC(=O)NCCCO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLPRAJRHRHZCQQ-DJBFQZMMSA-N", "SMILES:Clc1ccc(C2C[C@@H]3CC[C@H]2N3)cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL374047", "category": ["biolink:ChemicalEntity"], "name": "MOSCATILIN", "xref": ["InChIKey:YTRAYUIKLRABOQ-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(OC)c(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4448748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRNMPHVJUDOEB-UHFFFAOYSA-N", "SMILES:CC(=O)C(=CN(C)C)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCQSLPADLYHOIN-HNNXBMFYSA-N", "SMILES:C[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRDHKIFCGOZTGD-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYQKKLTEIOVNS-WECYVERMSA-N", "SMILES:C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H]4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)O[C@H]4[C@H]3O)[C@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@@H]3[C@H]2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4461372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMIYYHPGWOFADE-UHFFFAOYSA-N", "SMILES:CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(-c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQLFAOJJKWOKRN-UHFFFAOYSA-N", "SMILES:COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(-c4ccccc4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL416715", "category": ["biolink:ChemicalEntity"], "name": "(R)PK-11195", "xref": ["InChIKey:RAVIZVQZGXBOQO-CQSZACIVSA-N", "SMILES:CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3343989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOEYECACIBFJGZ-NPAGUKBMSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPLDWUAEABIXKN-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZVTUKRTVEPSE-HIAGSHEGSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC1CCSCc2cccc(c2)CSCCC(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRAPJZRNQGOPTC-JVBQHHNGSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC1CCSCc2cccc(c2)CSCCC(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQAJXCSMQILLA-VZAMYNNQSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC1CCSCc2cccc(c2)CSCCC(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL529902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPWKCQJHMCGNLQ-MGEOPITOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVUBFZLKUNGER-ORTFMNFGSA-N", "SMILES:COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)/C=C\\C[C@H](C)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTZLPZCSYMZMA-CACSTHFOSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](C)[C@H](C=C(C)C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1535", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYCHLOROQUINE", "xref": ["InChIKey:XXSMGPRMXLTPCZ-UHFFFAOYSA-N", "SMILES:CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12"], "synonym": ["Hydroxychloroquine", "Hydroxychloroquine", "Hidroxicloroquina", "Hydroxychloroquine", "Hydroxychloroquine", "Polirreumin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2177757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJIPXYRSZHCFS-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCJAOHWMPGLEPD-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cn3cc(CCO)nn3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQVCVJYUJJFXMS-UHFFFAOYSA-N", "SMILES:CC(C)(O)Cc1cn(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URIAUCGPOQQKIE-UHFFFAOYSA-N", "SMILES:CCC(C)(O)c1cn(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPYCATYLCHVIB-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cn(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWJJFRLEBIQRTE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLPOUSDMGSWJM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cn3cc(C4CC4)nn3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGFTIVMQJNNQE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cn3cc(-c4ccccc4)nn3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPFHPRTSVMWLU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(CC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQCOQGGGICOLQL-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHABUXYYDPXUKY-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cn3cc(-c4ccc(F)cc4)nn3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXOZOGOGFFIULH-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cn3cc(-c4ccc(Cl)cc4)nn3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZMHLWXQXKNJLR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cn3cc(-c4ccc(Br)cc4)nn3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJYJYYFNBRSWOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(CC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQHICHQVRAMSS-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cn(CC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSUQJNYIQZFSFT-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cn3cc(-c4cccc(O)c4)nn3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAGEDGNWHSKPF-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cn(CC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHUWGOVLRCAFY-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cn(CC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPCRKSKXBWKJGS-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cn3cc(-c4ccccn4)nn3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZQAPOIQSOAIFT-HYOCDBLYSA-N", "SMILES:CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)c3c(oc4cc(O)c(O)cc4c3=O)[C@]1(CC=C(C)C)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4589598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYLGKUMBFTYCET-HYOCDBLYSA-N", "SMILES:CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)c1c2oc2cc(O)c(O)cc2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4462490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGCMKPCZTWCOGS-KJICFHBASA-N", "SMILES:CC(C)=CCC/C(C)=C/C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)c1oc3cc(O)c(O)cc3c(=O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL492323", "category": ["biolink:ChemicalEntity"], "name": "VANICOSIDE B", "xref": ["InChIKey:ALSDWGAQQGXOHC-PWYSLETCSA-N", "SMILES:COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(COC(=O)/C=C/c4ccc(O)cc4)O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]3OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4564337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCOSAQGGGZDYJN-UHFFFAOYSA-N", "SMILES:COc1cc2c(-c3cnc(-c4ccc[nH]4)o3)c[nH]c2cc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4475066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMFJSMWCBYWQN-MOKQZDJKSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZKVIUJIUTXIRH-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAAYRHKJHDIDPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCZAWDGAVJMPTA-BQBZGAKWSA-N", "SMILES:C[C@H](Nc1nc(N[C@@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWUGYMJLMKPPCO-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2cncc(N3CCN(c4ccc5cnn(C)c5c4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477486", "category": ["biolink:ChemicalEntity"], "name": "DEOXYGUANOSINE TRIPHOSPHATE", "xref": ["InChIKey:HAAZLUGHYHWQIW-KVQBGUIXSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL464119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCDBAVVDILRMP-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)CCC(C)(C)O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4458648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGXCYPXBDQVRC-UHFFFAOYSA-N", "SMILES:S=C(NCc1ccccc1)NNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYKUYRINMBDPKK-KVOOEGMKSA-N", "SMILES:O=C1/C(=C/c2cccnc2)CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C/C1=C\\c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQVHAXCPDNVHZ-VKLKMBQZSA-N", "SMILES:Cl.Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCGIKJOMEYPSIP-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc(C(=O)Nc2cccc3cc[nH]c23)cc1"]}
{"name": "Oxysterols receptor LXR-alpha", "xref": ["CHEMBL.TARGET:CHEMBL4523336"], "id": "UniProtKB:Q62685", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZSZPLMAGFZZDD-ZHHJOTBYSA-N", "SMILES:CC(C)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXLQEAPQSOPCF-JDTILAPWSA-N", "SMILES:CCN(CC)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXLVTUBSUQEPQ-NXUCFJMCSA-N", "SMILES:CC(C)N(C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEXZUPGAFMKRK-JDTILAPWSA-N", "SMILES:C[C@H](CCC(=O)N1CCCC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQEOOEBPIAQBCV-OHPSOFBHSA-N", "SMILES:C[C@H](CCC(=O)N1CCCCC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJJCIGFDXFHKR-JDTILAPWSA-N", "SMILES:CC(C)N(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVYMANQVISZNZ-ZHHJOTBYSA-N", "SMILES:CCN(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHVOOXMRJSBDS-JDTILAPWSA-N", "SMILES:CCCN(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJAXQWMETRTSDF-UHFFFAOYSA-N", "SMILES:CCCCCCCOCC12c3ccccc3C(c3ccccc31)C1C(=O)NC(=O)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYRCUVJDOKEFS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCC(C(=O)c1ccc(OC)cc1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMJTNBUDVDZRO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C2CCc3cc(O)ccc3C2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQPUVTXQZDEJNT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(C(=O)c1ccc(OC)cc1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOESXQFGHNEYAH-RUDMXATFSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4445762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCNNLVYVZDKBFK-XBXARRHUSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(O)c(C)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANQEIMTCNGAGK-IZZDOVSWSA-N", "SMILES:Cc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXNSDOAIBMTMJ-ULSNTHSRSA-N", "SMILES:CC(C)[C@H]1C(=O)O[C@H]([C@@H](C)CCCC[C@@H](C)O)C[C@@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4552252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHIZUMFCYMQFI-HDFLJASASA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)O[C@H]([C@@H](C)CCCC[C@@H](C)O)C[C@@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2230270", "category": ["biolink:ChemicalEntity"], "name": "ARAHYPIN-5", "xref": ["InChIKey:ZBHQSIOZNUAOPF-ONEGZZNKSA-N", "SMILES:CC1(C)C=Cc2c(O)cc(/C=C/c3ccc(O)cc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWVBLRIPRGGPD-HOTGVXAUSA-N", "SMILES:O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]1Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL189558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPCLOGFGKJCBP-HOTGVXAUSA-N", "SMILES:O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]1Cc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4447045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEYNOJIGIJNTDM-AGLCJZAPSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"name": "Prolyl 4-hydroxylase", "xref": ["CHEMBL.TARGET:CHEMBL4523368"], "id": "UniProtKB:Q84406", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10506"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRNLBDSEVZAJAT-AGLCJZAPSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMULIPGDMJGFAZ-SLGAYOPDSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVKVLSGGUPTWKH-BINWAZOZSA-N", "SMILES:O=C(O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUPDIPCZNSKBW-JEDGRRCBSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL69710", "category": ["biolink:ChemicalEntity"], "name": "CHLOROLITHIUM", "xref": ["InChIKey:KWGKDLIKAYFUFQ-UHFFFAOYSA-M", "SMILES:[Cl-].[Li+]"], "synonym": ["Lithium Cholride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVSCKYBGQGPVDS-VAWYXSNFSA-N", "SMILES:COc1cc(-c2nc(NCc3cccc(/C=C/C(=O)NO)c3)cc3c2[nH]c2ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLATWFKCKZBKI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFLUZYGWFMERKP-FVVHYIIPSA-N", "SMILES:C#CCOC(=O)/C(C)=C(C)\\C=C\\[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRXEOFSZLYPML-ALJSKACMSA-N", "SMILES:C#CCOC(=O)/C(C)=C(C)\\C=C\\[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4C4=CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C"]}
{"name": "Voltage-dependent anion-selective channel protein 2", "synonym": ["Non-selective voltage-gated ion channel VDAC2"], "xref": ["CHEMBL.TARGET:CHEMBL6190"], "id": "UniProtKB:P45880", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCDTCQFVAYJBS-KDBLBCFBSA-N", "SMILES:C#CCO/N=C1\\C=CC[C@]2(O)[C@H]3O[C@H]3[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]12C"]}
{"name": "Cytochrome b5 type B", "xref": ["CHEMBL.TARGET:CHEMBL4523134"], "id": "UniProtKB:O43169", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Minor histocompatibility antigen H13", "synonym": ["Signal peptide peptidase"], "xref": ["CHEMBL.TARGET:CHEMBL4523407"], "id": "UniProtKB:Q8TCT9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial import receptor subunit TOM40 homolog", "xref": ["CHEMBL.TARGET:CHEMBL4523158"], "id": "UniProtKB:O96008", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial carrier homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL4523511"], "id": "UniProtKB:Q9Y6C9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-dependent anion-selective channel protein 3", "synonym": ["Non-selective voltage-gated ion channel VDAC3"], "xref": ["CHEMBL.TARGET:CHEMBL4523505"], "id": "UniProtKB:Q9Y277", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prostaglandin E synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL4411"], "id": "UniProtKB:Q9H7Z7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histidine--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL4002"], "id": "UniProtKB:P12081", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445041", "category": ["biolink:ChemicalEntity"], "name": "WITHANOLIDE A", "xref": ["InChIKey:DXWHOKCXBGLTMQ-SFQAJKIESA-N", "SMILES:CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4459733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQKGOBRZWMAHV-LCXINAFSSA-N", "SMILES:CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOFLKQMJMFUCU-BJLQDIEVSA-N", "SMILES:CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZHJGXXCTIXCRI-HLWIYMQRSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(COC(=O)/C=C/c4ccc(O)cc4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4565715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNZULXLMHWPAY-UHFFFAOYSA-N", "SMILES:c1ccc(COc2cc(OCc3ccccc3)c3c(-c4ccccc4)coc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZIIXATUHPTKX-YTTGMZPUSA-N", "SMILES:COc1ccc(Oc2ccc(N3CC(=O)N([C@@H](CC4CCN(C(=O)C(C)C)CC4)c4nc5ccc(C)cc5n4C)C3=O)cc2)cc1"]}
{"name": "Rho-associated protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL5490"], "id": "UniProtKB:Q62868", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541388", "category": ["biolink:ChemicalEntity"], "name": "FASUDIL HYDROCHLORIDE", "xref": ["InChIKey:LFVPBERIVUNMGV-UHFFFAOYSA-N", "SMILES:Cl.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1"], "synonym": ["Fasudil hydrochloride", "Fasudil hydrochloride", "Fasudil hydrochloride", "Eril"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNAPTWZEJOEXLW-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cl)Cl.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSWGANJWKXVEC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1nnc(Sc2cc(NCCCN3CCOCC3)ncn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXEGEDUXHRXRGM-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)Oc1c(-c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)oc2cc(O)cc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKSKNULOREQGV-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVWIVRDGHUFSW-ZPUQHVIOSA-N", "SMILES:Fc1ccc2nc(/C=C/C=C/c3ccncc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJMUAMXSPQQDP-ZUVMSYQZSA-N", "SMILES:Cc1ccc2oc(/C=C/C=C/c3ccncc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDJHPSARLDCOY-LZSLGQGWSA-N", "SMILES:C(/C=C/c1nc2ccccc2o1)=C\\c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTLWPYGTVXISA-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)N1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1)OCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZOCUNZCUBRJX-DEOSSOPVSA-N", "SMILES:NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c2cc(C2=CCCOC2)nc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLGUWQFLCMWHDK-UHFFFAOYSA-N", "SMILES:Nc1c(N2CCN(C3CCCCC3)CC2)cc(Nc2ccc(C(=O)O)cc2)c2c1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGNIAOMGYRRHNY-UHFFFAOYSA-N", "SMILES:O=c1cc(NCCc2ccc(Br)cc2)[nH]c(=O)[nH]1"]}
{"name": "G-protein coupled receptor 84", "xref": ["CHEMBL.TARGET:CHEMBL4523386"], "id": "UniProtKB:Q8CIM5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDTXEURVYJLEA-JXMROGBWSA-N", "SMILES:COc1cccc(OC(=O)COC(=O)/C=C/c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDXIPKGSVATLF-KLCVKJMQSA-N", "SMILES:CC(C)(C)OC(=O)N1C/C(=C\\c2ccc(O)cc2)C(=O)/C(=C/c2ccc(O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUMDJZOMWDDEEH-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(O)c(O)cc2C1Cc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNFWYMWAXZJAME-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(N2CCN(S(=O)(=O)Nc3ccc(SCCc4ccccc4)cc3C(=O)O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIWNZUYJVZDDEH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CN2CCN(S(=O)(=O)Nc3ccc(SCCc4ccccc4)cc3C(=O)O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSEKHDVVZNMXDE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTSFWGSGVLNQNG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQPDKMUGJLFLQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARNDMDMYXIFGI-UHFFFAOYSA-N", "SMILES:COc1ccc2c3ccnc(C)c3n(CCC(C)C(N)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMMAZMKIESJSJP-UHFFFAOYSA-N", "SMILES:COc1ccc2c3ccnc(C)c3n(CCCCC(N)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRZRJTZGNFPMNY-UHFFFAOYSA-N", "SMILES:COc1ccc2c3ccnc(C)c3n(CCCC(N)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMWZAPSTHKUJSK-UHFFFAOYSA-N", "SMILES:COC(=O)C(C)(C)CCn1c2cc(OC)ccc2c2ccnc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIATPGUBXMJLS-UHFFFAOYSA-N", "SMILES:COC(=O)C(C)CCn1c2cc(OC)ccc2c2ccnc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSFMPVPLIMFMY-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCN(C(=S)Nc1ccccc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPAJIZPZGWAND-UHFFFAOYSA-N", "SMILES:CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSMLJUWXZFXWSF-VPENINKCSA-N", "SMILES:O=C(O)[C@H]1CNC[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQETYVDJCSBXOL-GGMKWXLBSA-N", "SMILES:CC(=O)N[C@@H](CC[S+](C)[O-])C(=O)NCC(=O)N1CC(OCc2ccccc2)C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"name": "Granzyme A", "xref": ["CHEMBL.TARGET:CHEMBL4307"], "id": "UniProtKB:P12544", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYUAOFCVGMOMJ-ZNWKVJFKSA-N", "SMILES:CC(=O)N[C@@H](CC[S+](C)[O-])C(=O)NCC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUAUVZBKZYTPOC-OFIYEGMOSA-N", "SMILES:CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(CCc1nc2ccccc2s1)C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYFOGRIAFPDANE-BGOKZIBGSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APSQQFBKZZLNHW-YIUMXWMTSA-N", "SMILES:CC(=O)N[C@@H](CC[S+](C)[O-])C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDDKAGQRJBVEH-WVJKJMHXSA-N", "SMILES:CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=N)N)cc1)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDAWCZVBBDEMIQ-CVRFGVCTSA-N", "SMILES:CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCc1nc2ccccc2s1)C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=N)N)cc1)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEIVJCSZCZHCM-KVFRBGLISA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=N)N)cc1)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWEIYNHPNFHZAA-IDEIPQFWSA-N", "SMILES:CC(=O)N[C@@H](CC[S+](C)[O-])C(=O)NCC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)N[C@@H](Cc1ccc(NC(=N)N)cc1)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBEKZOLMEJAMFY-HSWYWSHFSA-N", "SMILES:CC(=O)N[C@@H](CC[S+](C)[O-])C(=O)NCC(=O)N1CC(OCc2ccccc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=N)N)cc1)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPCCBZFIPJGTE-CXBGRUJYSA-N", "SMILES:CC(=O)N[C@@H](CC[S+](C)[O-])C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(NC(=N)N)cc1)C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOJHBWWTRUFPSL-VZAWDYALSA-N", "SMILES:CC(=O)N[C@@H](CC[S+](C)[O-])C(=O)NCC(=O)N1CC(OCc2ccccc2)C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3c(CC(N)=O)cc(=O)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHELNSORJIGYKI-NGIOZJEZSA-N", "SMILES:CN1/C(=C\\C=C\\C=C\\C2N(CCCCCC(=O)NCCCCCC(=O)N3Cc4ccccc4C[C@H]3C(=O)NCC(=O)N3C4CCCCC4C[C@H]3C(=O)NC(CCCNC(=N)N)P(=O)(Oc3ccccc3)Oc3ccccc3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBFKONWWIAFKEJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1OCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBUUEIOFVTVLRF-PRFIPCBLSA-N", "SMILES:CN1/C(=C/C=C/C2=[N+](CCCCCC(=O)NCCCNC(=N)Nc3ccc4[nH]c5c(c4c3)C[C@@]3(O)[C@H]4Cc6ccc(O)c7c6[C@@]3(CCN4CC3CC3)[C@H]5O7)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMHDVSRYNVXPOH-KMTFMGQQSA-N", "SMILES:CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCNC(=N)Nc3ccc4[nH]c5c(c4c3)C[C@@]3(O)[C@H]4Cc6ccc(O)c7c6[C@@]3(CCN4CC3CC3)[C@H]5O7)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYXQGWOLRJUITD-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOMWAXGUWILGX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccncc2)c2ccccc12)c1cccn(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGQVFQREAQFSJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(NC(=O)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWHLTHOHBAGPMY-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(NC(=O)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALWMWBDJLPREOH-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1cccc(OP(=O)(O)O)c1OP(=O)(O)O"]}
{"name": "Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2", "xref": ["CHEMBL.TARGET:CHEMBL2331064"], "id": "UniProtKB:O15357", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAZVYAIYNIITQ-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1cc(OP(=O)(O)O)cc(OP(=O)(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPWCRVGWWKLQCK-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKRGHRHHBNLNDD-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUCUMVMBLRKSOB-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1cc(OP(=O)(O)O)c(OP(=O)(O)O)c(OP(=O)(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSQKFMVBPORNX-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1cc(OP(=O)(O)O)c(OP(=O)(O)O)cc1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNRVRTXMAGBWEP-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJJJRRMQCUUKEO-IZZDOVSWSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)c2)cc1"]}
{"name": "Phosphatidylinositol 5-phosphate 4-kinase type-2 beta", "xref": ["CHEMBL.TARGET:CHEMBL5667"], "id": "UniProtKB:P78356", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYHURGHJHGISNF-KPKJPENVSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(Nc4ccc(-c5ccccc5)cc4)ncn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKLNCUOAEWFPFL-VMPITWQZSA-N", "SMILES:Cc1ccc(Nc2cc(Nc3cccc(NC(=O)c4ccc(NC(=O)/C=C/CN(C)C)cc4)c3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHQSGKUSRNJPU-VMPITWQZSA-N", "SMILES:Cc1ccc(-n2ccc3c(Nc4cccc(NC(=O)c5ccc(NC(=O)/C=C/CN(C)C)cc5)c4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXDKKOUATZJDD-LTHHUOLNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQKMZJIXFYZII-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OC(F)(F)F)c1)c1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFPHQWZTIGSBV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OC(F)F)c1)c1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQLMPGDXPHSUEC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)F)c1)c1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNLCSDKNIACRD-CMVIZHHYSA-H", "SMILES:O=C([O-])[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)[O-])[C@@H](OCCNS(=O)(=O)[O-])O[C@@H]2COS(=O)(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXWCGMVJUYWNLA-GOXHPXGISA-I", "SMILES:O=C([O-])[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)[O-])[C@@H](OCCNS(=O)(=O)[O-])O[C@@H]2COS(=O)(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLZBCCBJUEYTA-ASUUTKCKSA-I", "SMILES:CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](NS(=O)(=O)[O-])[C@@H](OCCNS(=O)(=O)[O-])O[C@@H]3COS(=O)(=O)[O-])O[C@@H]2C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZNJWAMGFTKNP-GOXHPXGISA-I", "SMILES:O=C([O-])[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)[O-])[C@@H](OCCNS(=O)(=O)[O-])O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNLCSDKNIACRD-WBAPSXKRSA-H", "SMILES:O=C([O-])[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)[O-])[C@H](OCCNS(=O)(=O)[O-])O[C@@H]2COS(=O)(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZNJWAMGFTKNP-WJKDCOTGSA-I", "SMILES:O=C([O-])[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)[O-])[C@H](OCCNS(=O)(=O)[O-])O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQQEGNFXSEGTC-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADXOGZMLIVVAM-HGHHWUKJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)Nc2ccccc2N)cc1)B1O[C@@H]2[C@@H]3C[C@H](C[C@]2(C)O1)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGOULFZVLFWRS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nc(-c4ccc(NC(=O)c5cccnc5)cc4Cl)no3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIUNSVLRVWGJRM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc(-c3ccc(NC(=O)c4cccnc4)cc3Cl)no2)c1)Nc1ccc(NC(=O)C2CC2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VISRJAMIQZEPKG-QHCPKHFHSA-N", "SMILES:COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CNS(=O)(=O)c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPPXZFUUNLFGI-QFIPXVFZSA-N", "SMILES:COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN2C(=O)Nc3ccccc3S2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXBCEZWZOLFMN-SANMLTNESA-N", "SMILES:COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN2CCN(S(=O)(=O)c3ccc(N)cc3)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACDFWSNAQWFRRF-VWLOTQADSA-N", "SMILES:Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGLOPNALWHRQNT-LCAQQBCVSA-N", "SMILES:CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)n1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIFHXSZLKYQDV-NRCMMDLDSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICVBVSIMPKNZDF-RWHIJFOFSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)n1cc([C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSNNLLDHCCPTQQ-SZLNTEOVSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)n1cc([C@@H](CCC(=O)O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEJUPZWNBLRNHH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc(CNCC3CCNCC3)sc2-c2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITSGXWXTPWSDD-UEIGIMKUSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJBKECMPVCSDS-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3cccc(O)c3)C2=O)cn1"]}
{"name": "Taste receptor type 2 member 8", "xref": ["CHEMBL.TARGET:CHEMBL3988599"], "id": "UniProtKB:Q9NYW2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 2 member 1", "xref": ["CHEMBL.TARGET:CHEMBL4523475"], "id": "UniProtKB:Q9NYW7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 2 member 14", "xref": ["CHEMBL.TARGET:CHEMBL3309105"], "id": "UniProtKB:Q9NYV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLIDTTQDLTURSD-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc(N)cc3OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCQAMWATCFSDLF-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHEMYQOYQOWGNH-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc4ccccc4c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDLHHMLSPYJGFV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncccc2C(F)(F)F)cc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKQMEJSMLOPDC-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLZLKZTWFPTPQV-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCRXXSQZEZOCFM-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFLKHNDDHKDKQQ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(-n2cnn(CCCCc3ccc(C(=O)NO)cc3)c2=O)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYCRTBNTSJPHN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(OCCCOc2ccc(CC(=O)NO)cc2)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTYIIDDTFQCGV-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(-c2c[nH]cc2CN(C)CCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVDMIAFOVVMNJF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]cc2CN(C)CCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTVWAGUJRUAKE-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMIDPTCQPIJYFE-UHFFFAOYSA-N", "SMILES:O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUIITYLFSAXKIQ-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGSGNCNSQLKFBF-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXURGGKEOPHREO-DENIHFKCSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C[C@H]1CCCN1C[C@@H]1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSJDIWZEDWPAF-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1c2c(nc3ccc(F)cc13)-c1ccccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMLDSFHVNUYNK-UHFFFAOYSA-N", "SMILES:O=C(CCSC(=S)NCc1cccnc1)c1cn(CC(F)F)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJYMNHMDLMTMC-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICCUPYHHFFCIM-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUAFNALOLHHWGL-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSKFGBAYHFLJPZ-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKTQJMLALXDVCN-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUTHTLQGGHXCLA-XDJHFCHBSA-N", "SMILES:O=C(Nc1ccccc1C(=O)O)/C(=C/c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGGYSHFHOMWTD-ZHACJKMWSA-N", "SMILES:Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKQMTXLABQTGQB-DHZHZOJOSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQVZYIWTLBIOK-VAWYXSNFSA-N", "SMILES:C/C(=C\\c1ccccc1)C(=O)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQDZPHDVAOBLN-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL29411", "category": ["biolink:ChemicalEntity"], "name": "THYMOL", "xref": ["InChIKey:MGSRCZKZVOBKFT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)c(O)c1"], "synonym": ["Thymol", "Thymol", "3-hydroxy-p-cymene", "Apiguard", "P-cymen-3-ol", "Thyme camphor", "Thymol", "Thymolum", "FEMA NO. 3066", "NSC-11215", "NSC-47821", "NSC-49142", "Eftab", "Gppe mthwsh tab", "Listerine", "Sotol", "Tellodont", "Tellora", "Valda", "Thymol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4527901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMROBIVZIOAOJT-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1NC(=O)CCOc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL293492", "category": ["biolink:ChemicalEntity"], "name": "CINNAMALDEHYDE", "xref": ["InChIKey:KJPRLNWUNMBNBZ-QPJJXVBHSA-N", "SMILES:O=C/C=C/c1ccccc1"], "synonym": ["Cinnamaldehyde", "Cinnamaldehyde", ".beta.-phenylacrolein", "Abion ca", "Cinnamal", "Cinnamic aldehyde", "Zimtaldehyde", "FEMA NO. 2286", "NSC-16935", "NSC-40346", "XC-800"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL173443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAMRBCZMOOMBSQ-CCEZHUSRSA-N", "SMILES:CCCCCc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4471710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFQLSSOAWSFFMY-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc(Cl)c(Nc3cccc(Cl)c3)n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCNKBPYTVIXQKU-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnn(CCCCCCC(=O)NO)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTOQNLGMTJOJOF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc(Cl)c(Nc3ccc(Cl)cc3)n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSUDWDNLQIGWOJ-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2cncnc2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFOQKFALYCSJJ-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2ccnn2C)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCTAKHZWUUFBSC-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2cccnc2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZWUUIRGGEZHH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C)noc2C)cc1Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPGSLHGEYWINHX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C)noc2C)cc1Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPYHBZSDDTSFN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCN(C)C)C2=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZCYXEQQWUBDOV-PRMIEGHPSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@H]3O[C@@H]2C(c2ccc(OCCN4CCCC4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXOYGBMOOYNZGJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CC(=O)N3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGBDXIQTCSHVQM-FDVSRXAVSA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccccc4)ccc3c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLIWTSFVZIDADB-MNDYBZJGSA-N", "SMILES:COc1ccc(COc2ccc3cc(/C=C4\\SC(=S)N(C(Cc5c[nH]c6ccccc56)C(=O)O)C4=O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEGWJIYLIPGARI-MNDYBZJGSA-N", "SMILES:COc1cccc(COc2ccc3cc(/C=C4\\SC(=S)N(C(Cc5c[nH]c6ccccc56)C(=O)O)C4=O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYYSNSOAXLNQFB-MNDYBZJGSA-N", "SMILES:COc1ccccc1COc1ccc2cc(/C=C3\\SC(=S)N(C(Cc4c[nH]c5ccccc45)C(=O)O)C3=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPFMXXRDUSLBG-NUJZUDFISA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccc(Cl)cc4)ccc3c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONCPOLHRDSZERD-NUJZUDFISA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4cccc(Cl)c4)ccc3c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDEDBPOQIDGZFO-NUJZUDFISA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccccc4Cl)ccc3c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQJGKPVVZNMHLF-ULPWCQAASA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBKLCSBUDBMGQ-NUJZUDFISA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccc(F)cc4)ccc3c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZUUNLGIKOLXCV-NUJZUDFISA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccc(Br)cc4)ccc3c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMHPYLLTIIZMQ-MNDYBZJGSA-N", "SMILES:Cc1ccc(COc2ccc3cc(/C=C4\\SC(=S)N(C(Cc5c[nH]c6ccccc56)C(=O)O)C4=O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWKUKHDXMPOZSU-RAWMCFOBSA-N", "SMILES:COc1cc(/C=C2\\SC(=S)N(C(Cc3c[nH]c4ccccc34)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXWQQYTUFFQCBT-ZMFRSBBQSA-N", "SMILES:COc1cc(/C=C2\\SC(=S)N(C(Cc3c[nH]c4ccccc34)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJCHMLXJQXNMS-ZMFRSBBQSA-N", "SMILES:COc1cc(/C=C2\\SC(=S)N(C(Cc3c[nH]c4ccccc34)C(=O)O)C2=O)ccc1OCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISAJPADGXFQHAU-VYYCAZPPSA-N", "SMILES:COc1cc(/C=C2\\SC(=S)N(C(Cc3c[nH]c4ccccc34)C(=O)O)C2=O)ccc1OCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQBPAYXNKPITQ-WGARJPEWSA-N", "SMILES:COc1cc(/C=C2\\SC(=S)N(C(Cc3c[nH]c4ccccc34)C(=O)O)C2=O)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKXRFRQBBRGOAK-GATIEOLUSA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZAYDTLKEUPWIW-MXAYSNPKSA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQMRQNZWYPLIZ-MXAYSNPKSA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGZIMBYMTVHUNT-QFEZKATASA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKIJMEWCERBQCC-GATIEOLUSA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUQOKAUFSJKPJ-MXAYSNPKSA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSUDONRRJLUOO-MXAYSNPKSA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLEMHVUOBCRGJA-WGARJPEWSA-N", "SMILES:Cc1ccc(COc2ccc(/C=C3\\SC(=S)N(C(Cc4c[nH]c5ccccc45)C(=O)O)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWAUHLMGUQYQV-QFEZKATASA-N", "SMILES:O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTRQLWDUMOTTDA-OAQYLSRUSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4cncc(NC)n4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCHZJSMNFSXTPZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4cncc(NC)n4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXTKFBGDLDPFLB-PKOBYXMFSA-N", "SMILES:C=CC(=O)N1CCC[C@@H]1Cn1/c(=N/C(=O)c2ccc(C(F)F)s2)[nH]c2cc(CN[C@@H](C)C(C)(C)C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPDQGDJJVZFPTQ-HSZRJFAPSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc3[nH]cc(-c4cncc(NC)n4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKACYQALUPWSV-QDHZSKGMSA-N", "SMILES:C=C1CC[C@H]2[C@@](C)(CCC(=O)N[C@@]2(C)COC(=O)CCCC[C@@H]2CCSS2)[C@@H]1/C=C/C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBXWWOQMVCKTJD-UHFFFAOYSA-N", "SMILES:COc1cc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQRLHQHKFKTQE-HCTDMSSWSA-N", "SMILES:CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4454931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMXNWEMNWMCTNP-ULCLHEGSSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTDQGKWDQYXCL-BXVWHTCBSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)C(F)(F)F)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDRPUDDQCLYDP-ULCLHEGSSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(C)(=O)=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "Vitamin D3 receptor", "xref": ["CHEMBL.TARGET:CHEMBL3452"], "id": "UniProtKB:Q28037", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXZBZPCULFAGF-UTPCKWJVSA-N", "SMILES:C[C@H](CCC(=O)OCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)N)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABQFRRNRUAXEP-VDYCEELESA-N", "SMILES:CC(C)[C@@H](N)C(=O)OCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMFBRSPNNWAJS-JIGHKEFQSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)OCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBUDEPMASRVMAK-FXMOWWNJSA-N", "SMILES:CC[C@H](C)[C@@H](N)C(=O)OCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSHBQNVGNFDHND-UHFFFAOYSA-N", "SMILES:CCCCNc1cccc(NC(=O)c2ccccc2Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKEXQLZSSVMVGN-UHFFFAOYSA-N", "SMILES:O=C(CC(F)(F)F)Nc1cccc(NC(=O)c2ccccc2Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWNHNUDMJPPIIO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(NC(=O)c2ccccc2Br)c1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBIMVOFLPYQWFY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(NC(=O)c2ccccc2Br)c1)c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNBNAKYSTOHIEF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(NC(=O)c2ccccc2Br)c1)c1cocn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPCJZKVOUNFJB-VBOOUTDYSA-N", "SMILES:COc1ccc2[se]n(CCCCCCn3[se]c4ccc(OCCCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)cc4c3=O)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSLVBDMYOQHSSR-KBXCAEBGSA-N", "SMILES:O=C1NC[C@@H](COc2cc3[nH]c(C(=O)N[C@H](CO)c4ccc(C(=O)O)cc4)cc3cc2Cl)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCQBZIYGBVVGY-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)NC2(c3ccc(C(=O)O)cc3)COC2)cc2c(Cl)c(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRUKFZRLQHAEM-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNISGSVZVOGISR-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEJULKFUIXWPOX-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCN1CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNKMWVAWPMHKHA-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAAQORJZPYRYHH-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCCN1CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEIITEYCJLDVFW-UHFFFAOYSA-N", "SMILES:CCc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBBZOCOZIYNTCM-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1NC(=O)CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFOCRSFKWQNGAT-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1NC(=O)CCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXOFABLNDVFGR-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1NC(=O)NCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMMUDKBQYQNEZ-MGDILKBHSA-M", "SMILES:C[C@@H](Oc1cc(-c2cnn(C3CCN(C4=C(/C=C/C5=[N+](C)c6ccccc6C5(C)C)CCC/C4=C\\C=C4\\N(C)c5ccccc5C4(C)C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXZGEYEZWLCDX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCSC(=S)NCc4cccnc4)cc3)ncc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301625", "category": ["biolink:ChemicalEntity"], "name": "SPEBRUTINIB", "xref": ["InChIKey:KXBDTLQSDKGAEB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1"], "synonym": ["Spebrutinib", "Espebrutinib", "Btk inhibitor cc-292", "Spebrutinib", "Spebrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRHWBYGXTXHZSI-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCSC(=S)NCc4cccnc4)cc3)ncc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAWHHEOBNCCSJP-UHFFFAOYSA-N", "SMILES:CC1CCc2c(sc3nc(-c4cccnc4)nc(N4CCN(C(C(N)=O)c5ccccc5)CC4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHCGVMBJUFXIO-OMPCMIHXSA-N", "SMILES:O=C(O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CCC2=C(c3ccccc3)C[C@H](NC(=O)Cc3ccccc3)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBGSSQXSYTUVEF-WKAQUBQDSA-N", "SMILES:N[C@@H]1C[C@@H](C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](CC(=O)O)Cc2ccccc2)N(C(=O)NNC(=O)Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUKLPVNAOBTEP-CUPIEXAXSA-N", "SMILES:N[C@H]1C[C@@H](C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](CC(=O)O)Cc2ccccc2)N(C(=O)N(Cc2ccccc2)NC(=O)Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWKFTDFJRBZLEG-FWEHEUNISA-N", "SMILES:O=C(O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1C[C@H](F)CN1C(=O)NNC(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFNWOQMCBATID-XJYHXZFBSA-N", "SMILES:C#CCN(NC(=O)Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H](CC(=O)O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUZLYNLJRMDCNX-UHFFFAOYSA-M", "SMILES:O=C1N2CC=C(c3ccccn3)C(C2)N1OS(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLYYWRLMNVVLBI-UHFFFAOYSA-M", "SMILES:O=C1N2CC=C(c3cccnc3)C(C2)N1OS(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCKPSLSYIJYXAS-UHFFFAOYSA-M", "SMILES:O=C1N2CC=C(c3ccncc3)C(C2)N1OS(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMMVNCSQSPAIB-XPUUQOCRSA-N", "SMILES:NC[C@@H]1C=C(c2cnco2)[C@@H]2CN1C(=O)N2OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUFPGLSWMMJNSE-LSDHHAIUSA-N", "SMILES:CN1C[C@H](Nc2nc3cc[nH]c3c(=O)n2C)C[C@H](c2ccc3c(c2)OCCO3)C1"]}
{"name": "Bromodomain and PHD finger-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL3108644"], "id": "UniProtKB:Q9ULD4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromatin remodeling regulator CECR2", "xref": ["CHEMBL.TARGET:CHEMBL3108639"], "id": "UniProtKB:Q9BXF3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleosome-remodeling factor subunit BPTF", "xref": ["CHEMBL.TARGET:CHEMBL3085621"], "id": "UniProtKB:Q12830", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQVSLWJBLPTMD-LBPRGKRZSA-N", "SMILES:CC(C)(C)C(=O)N1N=CC[C@H]1c1ccccc1"]}
{"name": "Serine/threonine-protein kinase BRSK1", "xref": ["CHEMBL.TARGET:CHEMBL5650"], "id": "UniProtKB:Q8TDC3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium/calmodulin-dependent protein kinase type 1B", "xref": ["CHEMBL.TARGET:CHEMBL3627592"], "id": "UniProtKB:Q6P2M8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium/calmodulin-dependent protein kinase type 1D", "xref": ["CHEMBL.TARGET:CHEMBL5073"], "id": "UniProtKB:Q8IU85", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Megakaryocyte-associated tyrosine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL4175"], "id": "UniProtKB:P42679", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Death-associated protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL3123"], "id": "UniProtKB:Q9UIK4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase DCLK2", "xref": ["CHEMBL.TARGET:CHEMBL5519"], "id": "UniProtKB:Q8N568", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myotonin-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL5320"], "id": "UniProtKB:Q09013", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity tyrosine-phosphorylation-regulated kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL1075115"], "id": "UniProtKB:Q9NR20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rhodopsin kinase GRK1", "xref": ["CHEMBL.TARGET:CHEMBL5607"], "id": "UniProtKB:Q15835", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "G protein-coupled receptor kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL1075166"], "id": "UniProtKB:P35626", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "G protein-coupled receptor kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL5861"], "id": "UniProtKB:P32298", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "G protein-coupled receptor kinase 5", "xref": ["CHEMBL.TARGET:CHEMBL5678"], "id": "UniProtKB:P34947", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "G protein-coupled receptor kinase 6", "xref": ["CHEMBL.TARGET:CHEMBL6144"], "id": "UniProtKB:P43250", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rhodopsin kinase GRK7", "xref": ["CHEMBL.TARGET:CHEMBL1075133"], "id": "UniProtKB:Q8WTQ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Homeodomain-interacting protein kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL1075167"], "id": "UniProtKB:Q8NE63", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin light chain kinase 2, skeletal/cardiac muscle", "xref": ["CHEMBL.TARGET:CHEMBL2777"], "id": "UniProtKB:Q9H1R3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SRSF protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL5415"], "id": "UniProtKB:Q9UPE1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin-IIIb", "xref": ["CHEMBL.TARGET:CHEMBL5654"], "id": "UniProtKB:Q8WXR4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein odd-skipped-related 1", "xref": ["CHEMBL.TARGET:CHEMBL4523406"], "id": "UniProtKB:Q8TAX0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PAS domain-containing serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL6054"], "id": "UniProtKB:Q96RG2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lymphokine-activated killer T-cell-originated protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL4896"], "id": "UniProtKB:Q96KB5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "cGMP-dependent protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL2896"], "id": "UniProtKB:Q13237", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase N3", "xref": ["CHEMBL.TARGET:CHEMBL3627581"], "id": "UniProtKB:Q6P5Z2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual serine/threonine and tyrosine protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL1908386"], "id": "UniProtKB:Q6XUX3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase Sgk2", "xref": ["CHEMBL.TARGET:CHEMBL5794"], "id": "UniProtKB:Q9HBY8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SRSF protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL5668"], "id": "UniProtKB:P78362", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Testis-specific serine/threonine-protein kinase 6", "xref": ["CHEMBL.TARGET:CHEMBL3627582"], "id": "UniProtKB:Q9BXA6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase 25", "xref": ["CHEMBL.TARGET:CHEMBL5552"], "id": "UniProtKB:O00506", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase 32C", "xref": ["CHEMBL.TARGET:CHEMBL5405"], "id": "UniProtKB:Q86UX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase 38", "xref": ["CHEMBL.TARGET:CHEMBL1075155"], "id": "UniProtKB:Q15208", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "STE20/SPS1-related proline-alanine-rich protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL1163108"], "id": "UniProtKB:Q9UEW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase tousled-like 1", "xref": ["CHEMBL.TARGET:CHEMBL5388"], "id": "UniProtKB:Q9UKI8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase tousled-like 2", "xref": ["CHEMBL.TARGET:CHEMBL5404"], "id": "UniProtKB:Q86UE8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Testis-specific serine/threonine-protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL6014"], "id": "UniProtKB:Q96PF2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Testis-specific serine/threonine-protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL3414416"], "id": "UniProtKB:Q96PN8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tau-tubulin kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL1926492"], "id": "UniProtKB:Q5TCY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tau-tubulin kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL3337327"], "id": "UniProtKB:Q6IQ55", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase ULK2", "xref": ["CHEMBL.TARGET:CHEMBL5435"], "id": "UniProtKB:Q8IYT8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase VRK1", "xref": ["CHEMBL.TARGET:CHEMBL1293199"], "id": "UniProtKB:Q99986", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase VRK2", "xref": ["CHEMBL.TARGET:CHEMBL1649059"], "id": "UniProtKB:Q86Y07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase WNK2", "xref": ["CHEMBL.TARGET:CHEMBL5639"], "id": "UniProtKB:Q9Y3S1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase WNK3", "xref": ["CHEMBL.TARGET:CHEMBL6055"], "id": "UniProtKB:Q9BYP7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMXNNVKXLHJIS-JONLFGPRSA-N", "SMILES:CN1[C@@H]2CC[C@H]1C/C(=N/Nc1nc(-c3ccc(Cl)c(Cl)c3)cs1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYGPKQJVIPQBL-JONLFGPRSA-N", "SMILES:CN1[C@@H]2CC[C@H]1C/C(=N/Nc1nc(-c3ccc(Cl)cc3Cl)cs1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3344303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJBQAMLLCEHTI-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1"]}
{"name": "Genome polyprotein", "xref": ["CHEMBL.TARGET:CHEMBL5980"], "id": "UniProtKB:P29990", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:31634"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYCTDRIKLDZRI-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(OC(=O)c2ccc(N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQGFODZSCBSLP-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITAXHRMLPRIBCO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNCc1ccc(-c2nc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)nccc3[nH]2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZPAPFYEFUAAC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNCc1ccc(-c2nc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3[nH]2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQHCBKOLNYTLH-UHFFFAOYSA-N", "SMILES:Fc1cccc(COc2ccc(Nc3ccnc4[nH]c(-c5ccco5)nc34)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFIMACTXLOEYHF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNCc1ccc(-c2nc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ccnc3[nH]2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKSFIXFZBRYEI-UHFFFAOYSA-N", "SMILES:Fc1cccc(COc2ccc(Nc3ncnc4[nH]c(-c5ccco5)nc34)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXZYFMWHJDNLGI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNCc1ccc(-c2nc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncc(F)c3[nH]2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWMBPUDHCGXOCU-UHFFFAOYSA-N", "SMILES:O=c1c2cc(NS(=O)(=O)c3ccccc3OC(F)(F)F)ccc2nc2n1CCc1c-2[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJRTKIYJQWPKA-MHZLTWQESA-N", "SMILES:O=C(CNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1)NCCCC[C@@H]1NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBMBXFNDPBHBW-MHZLTWQESA-N", "SMILES:O=C1CNC(=O)[C@H](CCCCNC(=S)CNC(=O)c2ccccc2Nc2cccc(OCCc3ccccc3)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEJHYRBVVQJOGE-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc(-c3cccc(OCC#C)c3)nc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVFIHINZEZRGBL-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c(-n3cc(CCN4CCC5(CCc6ccccc65)CC4)cn3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASDYDEDXCKSKAM-ZMMXUMBDSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)C2OC2C(=O)O)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFBPBIKLNMVHO-OAHLLOKOSA-N", "SMILES:C[C@@H](Nc1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGGMVVFXCYBTPP-UHFFFAOYSA-N", "SMILES:Cc1nc(N)[nH]c1-c1cn(S(=O)(=O)c2cccc3ccccc23)c2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1581298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFFJUODAFLMRLJ-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cnc2c(=O)oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZURNDYPRVIEOC-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CC(NCc1c(-c3ccc4ccccc4c3)nc3occn13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMODJCBCAKYMD-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSUDPDTUFUNPQG-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3sccn3c2COCCc2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZOXKCGOBOQFTI-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCNCc2c(-c3ccc(Cl)cc3)nc3sccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWTWFSWGQWHGN-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3sccn3c2CNCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDQRQNADFKQOS-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3sccn3c2CNC2Cc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYYAKYCHSRGFX-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWMKEUEFAPJMX-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCNCc2c(-c3ccccc3)nc3sccn23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARMEHIKFIZSJA-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCNCc2c(-c3ccc4ccccc4c3)nc3sccn23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYAPWLSFJOVOW-UHFFFAOYSA-N", "SMILES:c1ccc(CCNCc2c(-c3ccc4ccccc4c3)nc3sccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBGIJBPFYWJQPZ-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CC(NCc1c(-c3ccc4ccccc4c3)nc3sccn13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDIFCINLNNUKU-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHVDQXWHRNTAOC-QGMBQPNBSA-N", "SMILES:Cn1ncc2cc(/C=N/c3ccc(Cl)c(Cl)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWJUTKNBZURWNV-SFHVURJKSA-N", "SMILES:FCc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHOWRYFJQMLGOQ-HNNXBMFYSA-N", "SMILES:Fc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSWAXMZWQQZKL-HWCIOBCZSA-N", "SMILES:Cc1nc(N2CCc3ccccc3C2)nc2c1[C@@]1(C)CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJWLIDSQFWCMV-ULIGZWSQSA-N", "SMILES:CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4c(C)nc5[nH]c6ccccc6c5c4C[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYYRSSSHVIDNH-KYQTTYHMSA-N", "SMILES:COc1ccc2c(C)c3c(nc2n1)C[C@H]1[C@@H]2CC=C4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]31C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAMRFLISOMPIW-UHFFFAOYSA-N", "SMILES:CCCCNC(=[Se])Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMPPIUDQKEGKP-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=[Se])Nc3ccc(Br)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQBUNFLWLFMZAK-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=[Se])Nc3ccc(C(F)(F)F)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNLNGJYJVKCLA-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=[Se])Nc3ccc4c(C)cc(=O)oc4c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLYVIPPSBWVKOS-VUEYLNPHSA-N", "SMILES:COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C/C(=N\\S(=O)(=O)c1ccc(C)cc1)OC(C)C)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMWQMDJCHAKGV-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1cc(C(=O)O)c(=O)c2ccc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVMNVBSANIXPEE-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1cc(C(=O)O)c(=O)c2ccc(OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOOIGCNJFCUQA-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL416755", "category": ["biolink:ChemicalEntity"], "name": "OXOLINIC ACID", "xref": ["InChIKey:KYGZCKSPAKDVKC-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3"], "synonym": ["Oxolinic acid", "Oxolinic acid", "Oxolinic acid", "Acide oxolinique", "Acido oxolinico", "Aqualinic", "Oxolinate", "NSC-110364", "W 4565", "W-4565", "Utibid", "Oxolinic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4541513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFXWADPGFIICP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2ccc3[nH]cc(C(=O)c4ccc(OC)cc4)c3c2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJQAIPBAGURBJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2c[nH]c3ccc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKASUUXFIWJPDA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2c[nH]c3cccc(OC)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZAQCYNJZNTLD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2c[nH]c3c(OC)cccc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDPILVQAKHGSE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(C(=O)c3ccccc3OC)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVYNHWLWVHLSI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRPRPRVHQKJPHB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(C(=O)c3c(OC)cccc3OC)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEDBUQFTZLLGP-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2c[nH]c3cccc(OC)c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSBICJXWCGJYIP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2c[nH]c3ccc(OC)cc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFQWNMNTBQKYBS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)cc1O)c1c[nH]c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTNVAUOLUIKQO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)cc1)c1c[nH]c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXRHABOCTTWMW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2c[nH]c3cccc(OC)c23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUYSKQODHVACAH-UHFFFAOYSA-N", "SMILES:CCN(CCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFDVYUMIEWOVJX-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(CCN1C(=O)c3cccc4cccc(c34)C1=O)n2-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPNDMTSGBREEKR-ZHACJKMWSA-N", "SMILES:CCCc1nn(C)c2c(NC(C)C)nc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDCOOSKIFYKIQ-UHFFFAOYSA-N", "SMILES:COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(-c6ccccc6)c5)c4F)nn3)cc12"]}
{"name": "Mitogen-activated protein kinase kinase kinase 20", "xref": ["CHEMBL.TARGET:CHEMBL4523452"], "id": "UniProtKB:Q9ESL4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFGOILLZIAIYGA-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cc(C(=O)NO)no1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKZCSSOXYRKYHB-ITZJMVOSSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6NC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZEJSNMITKBPGZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(C(=O)NCCc2ccccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCZYPVNSMSOLT-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc3nc4n(c(=O)c3c2)-c2ccc(F)cc2C4=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRHZPSWCKDTME-PMACEKPBSA-N", "SMILES:CC(C)(C)OC(=O)n1c2c(c3ccccc31)C[C@H]1C(=O)NC[C@@H]2N1C(=O)CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRZJXBYZUAUSBQ-JUQRWGLSSA-N", "SMILES:CC(O)CCN1C[C@H]2c3c(c4ccccc4n3C(=O)OC(C)(C)C)C[C@@H](C1=O)N2C(=O)CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTGZBXOXPAIMOK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWNNZVOAUVSVFF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(C(=O)NCCCCNc4c5c(nc6ccccc46)CCCC5)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KATPQNPJPWWNSE-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(C(=O)NCCOCCOCCNc4c5c(nc6ccccc46)CCCC5)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTXLIOBUPNJDF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDDPZMYXHDCED-UHFFFAOYSA-N", "SMILES:N#Cc1c(Cl)cccc1Oc1ccc(-c2nnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSLCRYVUJORPX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1c(F)cccc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGAUHOBRHOBHL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cncc(C(F)(F)F)c2)cc1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSXFPOBWVVWRC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(I)cccc1Oc1ccc(-c2nnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBAZHNMKICPZRD-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cc(NC(=O)CSc3n[nH]c(C4CC4)n3)n(-c3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJIOSPRHOPVRKJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cc(NC(=O)CSCC(=O)c3ccc4c(c3)Cc3ccccc3-4)n(-c3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGJKGPMONGQDN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cc(NC(=O)CSCC(=O)N3c4ccccc4CCc4ccccc43)n(-c3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZKGPAJUROKKG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cc(NC(=O)CSCC(=O)Nc3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTFJSIATRPNAH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cc(NC(=O)CSc3nnc4c(n3)[nH]c3ccccc34)n(-c3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQKWGBEIKPKER-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cc(NC(=O)CSc3cccc(NC(=O)c4cncc(Br)c4)c3)n(-c3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKJPHWZBQIUQR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBHMCUEAHAUJJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cc(NC(=O)CSCC(=O)Nc3ccc4ncsc4c3)n(-c3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBCWNUHZQIEPY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cc(NC(=O)CSCC(=O)NCc3ccc(F)cc3)n(-c3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJMLZLFEPYDIKZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cc(NC(=O)CSCC(=O)NC34CC5CC(CC(C5)C3)C4)n(-c3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLDOZBTPRZTHF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cc(NC(=O)CSCC(=O)NC(c3ccccc3)c3ccccc3)n(-c3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMUTUGUKRGYGW-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDWZGXWBBPBEFR-BJMVGYQFSA-N", "SMILES:Cc1cc(Cl)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRJIWVWQRSJRJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4ccco4)nc13)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMTUHGXWGJNKK-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-n4cnc(C)c4)nc13)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXMRIQOUXRGUQR-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4ccc(C)o4)cc13)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKOALQGXLQLZSJ-DKBURXAGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)N[C@@H](CCCNC(=N)N)C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC1=O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N3)N[C@@H](CCC(N)=O)C(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPATVOINCAVXRL-NTBYCYSFSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCVFRQQOHKQTK-HPMMOBRVSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQAIHAMKDFPWFW-MZPDUBGKSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUWOYISGCBYSL-GNDHHEKASA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJAPTWLOYMLZGR-WTBBZCIKSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABIXDUXGHDRKJ-MZPDUBGKSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREDNXPPECKTBP-INIZCTEOSA-N", "SMILES:COCCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21"]}
{"name": "Chitinase B", "xref": ["CHEMBL.TARGET:CHEMBL5348"], "id": "UniProtKB:P11797", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJGCYQNNYXOIS-SJLPKXTDSA-N", "SMILES:C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=N)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOBSCCLZUBBZDP-IEBWSBKVSA-N", "SMILES:Cc1cccn2c(=O)c3cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n(C[C@H]4CCCO4)c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDVUJVYSVMTVON-IEBWSBKVSA-N", "SMILES:Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTMDHWZKAGWGBP-UHFFFAOYSA-N", "SMILES:Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(Cc4ccc(F)cc4)c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAZSYYCIXUMFRX-UHFFFAOYSA-N", "SMILES:N=c1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVUELIYMFAXME-UHFFFAOYSA-N", "SMILES:Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(Cc4ccco4)c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZJCQERXUPFLMW-QGZVFWFLSA-N", "SMILES:Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1583158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPXWHWPEIBBBCJ-UHFFFAOYSA-N", "SMILES:Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(CC4CCCO4)c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQHLCUIHVLWGLE-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N)c1ccccc1"]}
{"name": "Chitinase", "xref": ["CHEMBL.TARGET:CHEMBL4523313"], "id": "UniProtKB:Q4AE59", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93504"]}
{"name": "Acidic mammalian chitinase", "xref": ["CHEMBL.TARGET:CHEMBL1293197"], "id": "UniProtKB:Q9BZP6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chitotriosidase-1", "xref": ["CHEMBL.TARGET:CHEMBL3080"], "id": "UniProtKB:Q13231", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLRQYOGLZWIOPA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHJOOAYUNMSUFJ-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLZYJJKTLTEJP-SHTZXODSSA-N", "SMILES:CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](c3ncccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGZKMMONATZSY-PXJLLHMESA-N", "SMILES:CC(C)=CCC1(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C2O[C@]3(C)CC[C@H]4C[C@@H]3[C@]2(C1=O)C4(C)C"], "chembl_natural_product": true}
{"name": "T-type calcium channel alpha 1G subunit", "synonym": ["Voltage-dependent T-type calcium channel subunit alpha-1G"], "xref": ["CHEMBL.TARGET:CHEMBL4295836"], "id": "UniProtKB:Q27YN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAEPBUWGXTYONC-BRUQSJHLSA-N", "SMILES:C=C(C)[C@H]1CC[C@@](C)(O)[C@@H](C2=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C2O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3581573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCFPHBHTPSXYFH-DKGMKSHISA-N", "SMILES:C=C(C)[C@H]1CC[C@@](C)(O)[C@@H](C2=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C2O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3581591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXMXPFAKOESBU-HBGBDTIESA-N", "SMILES:C=C(C)[C@H]1CC[C@@](C)(O)[C@@H](C2=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)C(C)CC)=C2O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4513476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAZFIHZLSXMBKI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3cc[nH]c13)c1ccccc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483575", "category": ["biolink:ChemicalEntity"], "name": "REMIBRUTINIB", "xref": ["InChIKey:CUABMPOJOBCXJI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C"], "synonym": ["Remibrutinib", "Remibrutinib", "LOU064-NXA", "NVP-LOU064-NXA", "Remibrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGWJOQIXAQWWAJ-KJYVAMCVSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](OC(=O)CSc5nc6cc(F)ccc6s5)[C@H]3NC(=O)CSc3nc5cc(F)ccc5s3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFAFROEQPZPNL-OMSIKKGMSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](OC(=O)CSc5nc6cc(F)ccc6o5)[C@H]3NC(=O)CSc3nc5cc(F)ccc5o3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENGBUDRUMRCDR-CGTWFDGSSA-N", "SMILES:C[C@@H]1C[C@H](O)[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFARQYQBWJLZMW-JYFOCSDGSA-N", "SMILES:C=CC(=O)N1C/C(=C\\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1"]}
{"name": "Ubiquitin thioesterase OTUB1", "xref": ["CHEMBL.TARGET:CHEMBL4523428"], "id": "UniProtKB:Q96FW1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tumor necrosis factor alpha-induced protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4523200"], "id": "UniProtKB:P21580", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase BAP1", "xref": ["CHEMBL.TARGET:CHEMBL1293314"], "id": "UniProtKB:Q92560", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ataxin-3", "xref": ["CHEMBL.TARGET:CHEMBL4523240"], "id": "UniProtKB:P54252", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase isozyme L3", "xref": ["CHEMBL.TARGET:CHEMBL6195"], "id": "UniProtKB:P15374", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 14", "xref": ["CHEMBL.TARGET:CHEMBL1293295"], "id": "UniProtKB:P54578", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase isozyme L5", "xref": ["CHEMBL.TARGET:CHEMBL3407316"], "id": "UniProtKB:Q9Y5K5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKXBVLYWLLALY-CZCYGEDCSA-N", "SMILES:C=CC(=O)N1CC/C(=C\\c2ccc(F)c([N+](=O)[O-])c2)C(=O)/C(=C/c2ccc(F)c([N+](=O)[O-])c2)C1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 28", "xref": ["CHEMBL.TARGET:CHEMBL2157853"], "id": "UniProtKB:Q96RU2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFACNZCWWHVATI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc(Br)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKILOFWGQYDRGO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUAZWUKQRHZQNC-CABCVRRESA-N", "SMILES:Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC[C@H](C(=O)O)C4)cc3)sc2c1"]}
{"name": "Potassium channel subfamily K member 13", "xref": ["CHEMBL.TARGET:CHEMBL4523461"], "id": "UniProtKB:Q9HB14", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDIEZCMDLZTEX-SOPOFMBBSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(CCCc1cn(CCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)COC(=O)c3c(C)cccc3C)C(C)C)nn1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQTHASYGFZGMOV-ABSDGBIDSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(CCCc1cn(CCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)COC(=O)c3c(C)cccc3C)C(C)C)nn1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYAKMVSMAFGQO-UHFFFAOYSA-N", "SMILES:CSc1nnc(CCCO)n1-c1cc(C)c(C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNKAJJMCCFDIU-QGZVFWFLSA-N", "SMILES:CCCCCC[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNKAJJMCCFDIU-UHFFFAOYSA-N", "SMILES:CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMFNJXLDISVWLF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Cc2ccc(-n3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc43)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPGAOXBMXGNGM-VWLOTQADSA-N", "SMILES:COc1ccc(-c2csc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NS(=O)(=O)c3ccc(C)cc3)n2)cc1"]}
{"name": "Aminoacyl tRNA synthase complex-interacting multifunctional protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4523285"], "id": "UniProtKB:Q13155", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQXWNIAQCDPFCH-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccc(OCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHEOHKVMYINBGT-UHFFFAOYSA-N", "SMILES:CCCCCCCCN(CCC(=O)Nc1ccccc1)CCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240860", "category": ["biolink:ChemicalEntity"], "name": "CYSMETHYNIL", "xref": ["InChIKey:QIXBOOVPFRZHQQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(C)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTIAPZMLDOVWFL-GZNSXLNGSA-N", "SMILES:COc1ccc(-c2cc3c([nH]c(=O)n3-c3cc(OC)c(OC)c(OC)c3)c(C(N)=O)n2)cc1C(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXJBWPENHAIHH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGVFUAXCCXBTN-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1cc(C=C2c3cccnc3-c3ncccc32)c(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHVTVBWZMDVATI-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1cc(C=C2c3cccnc3-c3ncccc32)c(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXOLELSLUBZIFT-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1cc(C=C2c3cccnc3-c3ncccc32)c(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKUKSJVXZCPIK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(-c4cccc(NC(=O)c5ccc(F)c(Cl)c5)c4)sc3C(N)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXYABSFWCBZKH-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1c[nH]c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGARPFMXLIUJR-UHFFFAOYSA-N", "SMILES:CC(C)n1c2ccccc2c2ccc3c(c21)C(=O)C1OC1C3=O"]}
{"name": "Arsenate reductase", "xref": ["CHEMBL.TARGET:CHEMBL4523173"], "id": "UniProtKB:P0A006", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"name": "Alkaline phosphatase synthesis transcriptional regulatory protein", "xref": ["CHEMBL.TARGET:CHEMBL4523943"], "id": "UniProtKB:W8TVM3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"name": "2-dehydropantoate 2-reductase", "xref": ["CHEMBL.TARGET:CHEMBL4523101"], "id": "UniProtKB:A0A0J9X283", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL312535", "category": ["biolink:ChemicalEntity"], "name": "XANTHURENATE", "xref": ["InChIKey:FBZONXHGGPHHIY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)c2cccc(O)c2n1"], "chembl_natural_product": true}
{"name": "Sepiapterin reductase", "xref": ["CHEMBL.TARGET:CHEMBL3988583"], "id": "UniProtKB:P35270", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOHLRCOPRAVUCJ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEMSSZRTUQWZJE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN(CCN(C)C)C(=O)c3ccccn3)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXHCAFUXBNDVPQ-HLQSCVHFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYXURAPYHRIZKS-HBXFEQMHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRWVLPLUSSHKT-CMLLEFNKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMQOVMBRBAWHBN-ZZDRGABXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOHQCNMSTMOPSS-ZDDODZTPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKNEPGOFMNGGA-LIHVRAPKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWMUKRZUMLJMU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nn(CC(=S)Nc3cccc(F)c3)cc2-c2ccc3nsnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVABZJGVIULAAE-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2cc3cnccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJNABOYNPFYLA-UNOMPAQXSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1ccc(-c2cc(C)c(C)cc2C(F)(F)F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXJNWVJWDMRNAO-PDGQHHTCSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1ccc(-c2ccccc2OC(F)(F)F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYQTFFTGCKZHP-MOSHPQCFSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1ccc(-c2cccc3c2C(=O)CC3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDCNRZKGLHRCHQ-UNOMPAQXSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFPSWBVJMVDJI-BKUYFWCQSA-N", "SMILES:Cc1cc(-c2ccc(/C=C3\\C(=O)N(c4ccc(C(=O)O)cc4)N=C3C3CC3)s2)c(C(F)(F)F)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEKJYZZSCQBJGB-UNOMPAQXSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZYIGLMWSFOFV-YBEGLDIGSA-N", "SMILES:CC1=NN(c2cc(F)c(O)c(F)c2)C(=O)/C1=C\\c1ccc(-c2ccccc2C(F)F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVKXEQSCENBOJL-BOPFTXTBSA-N", "SMILES:CC1=NN(c2cc(F)c(O)c(F)c2)C(=O)/C1=C\\c1ccc(-c2cccc3c2C(=O)CC3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOLPYEGJCIWPCF-YBEGLDIGSA-N", "SMILES:CC1=NN(c2cc(F)c(O)c(F)c2)C(=O)/C1=C\\c1ccc(-c2cc(C)c(C)cc2C(F)(F)F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNGDPDEENYHDH-YBEGLDIGSA-N", "SMILES:CC1=NN(c2cc(F)c(O)c(F)c2)C(=O)/C1=C\\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEBRNJCKGIJLD-OAHLLOKOSA-N", "SMILES:Cc1ccc([C@H]2CC=CC(=O)O2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGMMGKDXPSWHB-UHFFFAOYSA-N", "SMILES:O=C1C=CCC(c2cc3c(c4ccccc24)CCCC3)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPMVZLATVFRTI-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cccc(-c3cc(=O)c4c(O)c(OC)c(OC)cc4o3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUYNDNKFJOEBA-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZVWZUDVCVWWAO-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGGWXFSSGAQHBY-PKNBQFBNSA-N", "SMILES:COc1cc(OC)c(C(=O)/C=C/c2cccc(N3CCNCC3)c2)c(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENAHFGOROGKTB-UHFFFAOYSA-N", "SMILES:OB(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYXAEKQPKTFMP-UHFFFAOYSA-N", "SMILES:OB(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDAFRGSLMBCAHO-UHFFFAOYSA-N", "SMILES:OB(O)c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDJNFVMBGIOPT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDGHENUDOMEHW-UHFFFAOYSA-N", "SMILES:OB(O)c1cccc(-c2nc3ccc4[nH]ncc4c3cc2-c2ccccc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNAJMVWSHKOIO-UHFFFAOYSA-N", "SMILES:OB(O)c1cccc(-c2nc3ccc4[nH]ncc4c3cc2-c2ccc(F)c(Cl)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRQMWIWQSKWDJ-UHFFFAOYSA-N", "SMILES:COc1c(B(O)O)cccc1-c1nc2ccc3[nH]ncc3c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUSFBVMHPUWDLN-UHFFFAOYSA-N", "SMILES:COc1c(B(O)O)cccc1-c1nc2ccc3[nH]ncc3c2cc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHMDXXRNNCVOLN-UHFFFAOYSA-N", "SMILES:OB(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOWZHWLQJUVEAC-UHFFFAOYSA-N", "SMILES:c1csc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMUCWBLANIZRB-UHFFFAOYSA-N", "SMILES:OB(O)c1csc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEVQTTVCMOMHBC-UHFFFAOYSA-N", "SMILES:c1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUSLEXIIILOSO-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc3nc(-c4sccc4B(O)O)c4c(c3c12)CCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLPFHOKQGIMJZ-UHFFFAOYSA-N", "SMILES:COc1c(B(O)O)cccc1-c1nc2ccc3[nH]ncc3c2cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLCGYBDEYQDNK-UHFFFAOYSA-N", "SMILES:OB(O)c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLPPGSIIPVMOZ-UHFFFAOYSA-N", "SMILES:OB(O)c1ccsc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KABZVCNOZFGCQY-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(CCOCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEPJUELRSNLABC-UHFFFAOYSA-N", "SMILES:COc1ccc(CCOCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBCMGEUCLGVZMZ-OEAKJJBVSA-N", "SMILES:COc1ccc(/C=N/c2c3c(nc4ccccc24)CCCC3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDJYWZNZKMPDX-SRZZPIQSSA-N", "SMILES:Oc1cc(/C=N/c2c3c(nc4ccccc24)CCCC3)cc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWWFDKCWBXMZRF-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(CCNc3c4c(nc5ccccc35)CCCC4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASSBLFMDOWSAD-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(CCNc3c4c(nc5ccccc35)CCCC4)cc2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMZWWPFIDONQR-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCNc2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3182739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLOLCWSTYMAGI-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCNc2c3c(nc4ccccc24)CCCC3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHKKNMUDCVZREA-UHFFFAOYSA-N", "SMILES:c1ccc2c(N3CCCCC3)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHQHCSROVOIZIA-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2c3c(nc4ccccc24)CCCC3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZYKETQNVWSQLW-UHFFFAOYSA-N", "SMILES:COc1ccc(CCOCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCNDWKIQWKBPR-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(CCOCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPPAGJFGXFSONE-UHFFFAOYSA-N", "SMILES:c1ccc2c(N3CCCC3)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFRQQSAVVOOFW-FYJGNVAPSA-N", "SMILES:Oc1ccc(/C=N/c2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMKNSQZSVBTKB-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCOCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLBRADQTDMRJOG-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHMHVPYNIQVEKU-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCOCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKVFCJQRWGJBJL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800685", "category": ["biolink:ChemicalEntity"], "name": "PPTN", "xref": ["InChIKey:FOECKIWHCOYYFL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHGFFWRQHRUMI-NSVAZKTRSA-N", "SMILES:CCOc1ccc(-c2nc(/C(N)=N/O)c3[nH]c(=O)n(-c4cccc(C(=O)NCCCCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)c4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIRAQHWWXYQQO-QURGRASLSA-N", "SMILES:COc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)/C=C/C(=O)c1ccc(C)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLWDTSYBVZHLZ-CCEZHUSRSA-N", "SMILES:Cc1ccc(C(=O)/C=C/C(=O)N(C2CC2)C(C(=O)NCc2ccccc2)c2ncc(C)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTNSHHDKLYQCRG-WUKNDPDISA-N", "SMILES:COc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)/C=C/C(=O)c2ccc(C)cc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPCURGJZZDUBD-CCEZHUSRSA-N", "SMILES:CC(C)(C)NC(=O)C(c1ccc(F)cc1)N(C(=O)/C=C/C(=O)c1ccc(F)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUDLAZMMKWRKDD-BUHFOSPRSA-N", "SMILES:COc1cc(C(C(=O)NC(C)(C)C)N(CCC(C)C)C(=O)/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGWWNVHLMPYEN-BUHFOSPRSA-N", "SMILES:CN(CCOC(=O)/C=C/C(=O)c1ccc(F)cc1)C(C(=O)NC(C)(C)C)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKAYQAVRXAKFCX-UHFFFAOYSA-N", "SMILES:CCCNc1nc2ccc3c4ccccc4sc3c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHJRUZANDHSCX-SRZZPIQSSA-N", "SMILES:CN1c2ccccc2Sc2cc(/C=C3/SC(=S)N(CC(=O)OCC4COC(C)(C)O4)C3=O)ccc21"]}
{"name": "Amyloid-beta precursor protein", "xref": ["CHEMBL.TARGET:CHEMBL4523942"], "id": "UniProtKB:P12023", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZKBRGVSKFHPCM-DJKKODMXSA-N", "SMILES:CN1c2ccccc2Sc2cc(/C=C3/SC(=S)N(CC(=O)OCC(O)CO)C3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMVBXUUBKNVLH-GIJQJNRQSA-N", "SMILES:CN1c2ccccc2Sc2cc(/C=C3/SC(=S)N(CC(=O)N(CC(=O)O)CC(=O)O)C3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSRFYKFOWRYEA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZINJLCGRWELCA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLMZZSMAWUXCZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDDWQVVYUTNJQ-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc(CN(C=O)C(C(=O)NC(C)(C)C)c3c(C(=O)O)[nH]c4cc(Cl)ccc34)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXSKAKDQZMULB-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTLFZDIWVAHED-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGHMOOTYBDLTJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBNIVFIPPVRSX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccccc2I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVMYAEZRIHNOKR-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYUXHGXGYZXKTO-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUSPZYIRSWEGJH-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFRNRLIDPDCUSK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWJCCRUFKOHBM-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXOUCGXEZTHRD-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLOAACVPHQWFB-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCPFJSDTDJIVFA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLFJQVVVNIWHF-UHFFFAOYSA-N", "SMILES:O=CN(CCc1ccccc1)C(C(=O)NC12CC3CC(CC(C3)C1)C2)c1c(C(=O)O)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWAGCBXSLRYTRA-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1ccc(OCc2ccccc2)cc1)C(C(=O)NC12CC3CC(CC(C3)C1)C2)c1c(C(=O)O)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOKLKZYWYUNSQH-UHFFFAOYSA-N", "SMILES:O=CN(Cc1ccc(OCc2ccc(Br)cc2)cc1)C(C(=O)NC12CC3CC(CC(C3)C1)C2)c1c(C(=O)O)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOCPUKWQPWQJW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)CCc1ccc(OCc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKVPBDPVHVUNQG-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDCOYXTYPWZZAC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQQCLJWZNMNSBU-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUIQAXLSNBKIL-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc(CN(C=O)C(C(=O)NC(C)(C)C)c3c(C(=O)O)[nH]c4cc(Cl)ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXNUCBDUGINPJ-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc(CN(C=O)C(C(=O)NC(C)(C)C)c3c(C(=O)O)[nH]c4cc(Cl)ccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKBKVLVVGVSIT-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFEXLJCEZMUACH-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2cc(F)cc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRNQUILJLKVMZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHEOMBFILBGBHA-JZZHFYGFSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)NCc3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJAVDJDXMMQLX-DISONHOPSA-N", "SMILES:CCCCCCCCCCCCS(=O)(=O)[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]2COC(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVBMOXZCNUZYLF-XHWIWGEHSA-N", "SMILES:CCCCCCOc1ccc(N(C)S(=O)(=O)[C@H]2C[C@H]3O[C@@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYGCNUOKRJIGG-PRMIEGHPSA-N", "SMILES:CCCCCCOc1ccc(N(CC)S(=O)(=O)[C@H]2C[C@H]3O[C@@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMBUMIHPUKSCN-XHWIWGEHSA-N", "SMILES:CCCCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@H]3O[C@@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCNJQFZSGJGVDA-UMFSSWHCSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@H]3O[C@@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYJGFBHXBBJOW-MLCCFXAWSA-N", "SMILES:CC(O)c1cccc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBRNZVRKPCQDCA-UHFFFAOYSA-N", "SMILES:CC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)C(=O)Nc1cccc(C(C)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULOAJAHGVNRWFZ-ZDUSSCGKSA-N", "SMILES:C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSYNCRCRYLJJD-HNNXBMFYSA-N", "SMILES:C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)Nc1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIPWJUJXCDYQDL-AWEZNQCLSA-N", "SMILES:C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)Nc1ncnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCEMWMAFZMWZHE-NSHDSACASA-N", "SMILES:C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)Nc1ncnc2nc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEHFKPNRHXEMI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)C2CC2)cc1)Nc1cccc(-c2nc(-c3ccc(NC(=O)c4cccnc4)cc3Cl)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEMLHYVYPNMLC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc(-c3ccc(NC(=O)c4cccnc4)cc3Cl)no2)c1)Nc1ccc(NC(=O)C2CCCC2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJXOFGJRIXWATF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc(-c3ccc(NC(=O)c4cccnc4)cc3Cl)no2)c1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMWKRQHQDVZUBY-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2cccc(-c3nc(-c4ccc(NC(=O)c5cccnc5)cc4Cl)no3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKHAWZQENEMBV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nc(-c4ccc(NC(=O)c5cccnc5)cc4Cl)no3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTXZYVPIZGGMG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nc(-c4ccc(NC(=O)c5cccnc5)cc4Cl)no3)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIKPWLZQORDHP-JTQLQIEISA-N", "SMILES:O=C(OC[C@@H]1CO1)c1cccc2c(=O)c3ccccc3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMZERAQRFRQKQ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2n(CC2CO2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSDYVXNFXDPEEM-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)oc2ccccc21)N1CCC(N2CCCC2)CC1"]}
{"name": "Chromodomain Y-like protein", "xref": ["CHEMBL.TARGET:CHEMBL4523497"], "id": "UniProtKB:Q9WTK2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBPXPCZROXBUHN-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)oc2ccccc21)c1ccc2ccccc2c1"]}
{"name": "Chromodomain Y-like protein", "xref": ["CHEMBL.TARGET:CHEMBL3879827"], "id": "UniProtKB:Q9Y232", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMJYSBLIVDSWHW-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWCIBDKWWPGMH-ASKGCPBJSA-N", "SMILES:CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\\CCC=C(C)C)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVUUGFHWRRHAIW-YBFXNURJSA-N", "SMILES:COc1ccc2nc(C)cc(N/N=C/c3ccc(O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZYNTOVEKFSFFE-RGVLZGJSSA-N", "SMILES:COc1ccc2nc(C)cc(N/N=C/Cc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTIUWEZLARXBNO-TXULJKRHSA-N", "SMILES:CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccncc2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQFJUYOUFDNZDD-PEAKRGMWSA-N", "SMILES:CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccnc(N)c2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXSUTSDXWSZJW-MZFQTWMRSA-N", "SMILES:CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccncc2N)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYQFGPSUJGLBM-MZFQTWMRSA-N", "SMILES:CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccncc2F)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFCGSRKSGCOTNL-ZQENCIMTSA-N", "SMILES:CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccnc3ccccc23)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILIDESFSFMYIHR-GBTIZEMQSA-N", "SMILES:CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccnc3c(F)c(F)ccc23)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCGMQFAUMBBYEJ-KVXZIORWSA-N", "SMILES:CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccnc3cc(F)ccc23)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRSLHINFVYXMJ-MVCCDQQASA-N", "SMILES:CNc1ccc(/C=C/C[C@@H]2/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]3O[C@@](O)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@H](/C(C)=C/[C@@H]4CC[C@@H](O)[C@H](OC)C4)[C@H](C)[C@@H](O)CC2=O)[C@H](C)C[C@@H]3OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLPNJIYIKPXOG-KPVZLYTJSA-N", "SMILES:CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccc(N)cc2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYLCZPMNEBZYNM-QHBXSJOSSA-N", "SMILES:CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2cccc(N)c2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWNIJRBBXGKOL-XLIKRSCVSA-N", "SMILES:CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccccc2N)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEKZNINUFKMSL-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUWUEWQACOIVOR-UHFFFAOYSA-N", "SMILES:Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCJWMYCYMDXPI-CHWSQXEVSA-N", "SMILES:COc1ccc(NC(=O)[C@@H]2CCN(c3ncccc3Br)[C@H](C)C2)cc1Cl"]}
{"name": "Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523415"], "id": "UniProtKB:Q920L2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLRUAWKZYOGKG-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKWHZFWALVRSDP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBGBACORPRCGG-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPHMUIGESPOTK-UHFFFAOYSA-N", "SMILES:Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISACNBGFGVEWCJ-UHFFFAOYSA-N", "SMILES:CNCCn1c(=O)c2cc(OC)c(OC)cc2c2ccc3cc4c(cc3c21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHSGENTRQHGTO-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NCc2cccnc2)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCOCC3)c(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUHGEJYDBLWPB-FGAIXQOFSA-N", "SMILES:COC(=O)c1cnn2c1C[C@]1(C(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULEGKXUKBBRPTH-QFIVOZHASA-N", "SMILES:COC(=O)c1cnn2c1C[C@]1(C(C)=O)[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]31C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGHSFQTXWLVXGV-BLPFTZQCSA-N", "SMILES:COC(=O)c1nn2c(c1C(=O)OC)C[C@]1(C(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGJXQKFDGWRET-RRJBDMFDSA-N", "SMILES:C[C@@H](O)[C@@]12Cc3c(CO)c(CO)nn3C[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPFRUDMRFDRQI-FFVOWXKWSA-N", "SMILES:C[C@@H](O)[C@@]12Cc3c(CO)c(CO)nn3[C@H](Cc3ccccc3)[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFXKPVYROQVSW-KRBAFLQKSA-N", "SMILES:COC(=O)c1nn2c(c1C(=O)OC)C[C@]1(C(C)=O)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)[C@H]2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPVNXFULGDCTIK-OPWCURDVSA-N", "SMILES:COC(=O)c1cnn2c1C[C@]1(C(C)=O)[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]31C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WADSSBASHJFVSS-SZMVWBNQSA-N", "SMILES:Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C=O)C[C@@H]2CCCNC2=O)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRFRUXNHPPRTQO-LJRNKHGCSA-N", "SMILES:Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](C[C@@H]2CCCNC2=O)C(O)C#N)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSJQBYPZDSQPAI-KDRORCCWSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(F)(F)[C@H](O)CCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSJQBYPZDSQPAI-CGELLZOWSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(F)(F)[C@@H](O)CCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLVRNPVZFCJRU-FWTDADRISA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(F)(F)C(F)(F)CCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOABCFYISQQXOS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(N(C)Cc3ccc(F)cc3)cc2)cc1"]}
{"name": "N-acetylgalactosamine-6-sulfatase", "xref": ["CHEMBL.TARGET:CHEMBL4523218"], "id": "UniProtKB:P34059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTOZJZIPPUYHT-UHFFFAOYSA-N", "SMILES:NCCOc1ncccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTUEKKVQPGEOE-YPKPFQOOSA-N", "SMILES:C#CC(=O)CCCCCCC/N=[N+](\\[O-])C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXKQHXOACNCJP-VAWYXSNFSA-N", "SMILES:CCN(C)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBBOXFYCRHCTR-DCAQKATOSA-N", "SMILES:COC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCWCEJAXPUZJLR-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2ccc(N)c3nonc23)cc1"]}
{"name": "Flavodoxin", "xref": ["CHEMBL.TARGET:CHEMBL4523947"], "id": "UniProtKB:O25776", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:85962"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYWUMUEDQTGHB-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2cc(Cl)c(N)c3nonc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXSYYURINMMYGR-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(Cl)cc(Cl)c2OC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZATYGQKGRYRTRK-CPNJWEJPSA-N", "SMILES:O/N=C1\\Cc2cc(Cl)cc(Cl)c2OC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWHRYXZJZWKPRI-OWOJBTEDSA-N", "SMILES:O=[N+]([O-])/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGPXGKZHLDUHMI-OWOJBTEDSA-N", "SMILES:O=[N+]([O-])/C=C/c1c(F)cc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGQCZSQZHHVLAY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNMFINEIFVNMK-UHFFFAOYSA-N", "SMILES:NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQWUQJCUCSLTE-LAZPYJJCSA-N", "SMILES:O/N=C/Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAWCLWKTUKMCMO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4526377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXMJJSIJDMYJZ-UHFFFAOYSA-N", "SMILES:ONCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIUBYIRTUBYMAX-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2ccc([N+](=O)[O-])c3nonc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTMMTMVANQNSQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(C)SCc3cc(C)c(C)cc3CS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOQKRRSVBEDRX-UHFFFAOYSA-N", "SMILES:COc1ccc(C[S+]([O-])c2ccc(N)c3nonc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKQXRMGRLXHRA-UHFFFAOYSA-N", "SMILES:COc1ccc(CS(=O)(=O)c2ccc(N)c3nonc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHEDSLKCNPZAEL-UHFFFAOYSA-N", "SMILES:COc1ccc(C[S+]([O-])c2ccc([N+](=O)[O-])c3nonc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXFXNMDRJRTIJ-UHFFFAOYSA-N", "SMILES:Cc1ncc(N)n1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMPGPZDSGODDF-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2c[nH]c(-c3cccc4[nH]ccc34)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQRCHNPFXKXZOD-UHFFFAOYSA-N", "SMILES:COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4)c3F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYEHMUUHFRMLQJ-OCEACIFDSA-N", "SMILES:COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N/c4ccccc4)c3F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989951", "category": ["biolink:ChemicalEntity"], "name": "NAVOXIMOD", "xref": ["InChIKey:YGACXVRLDHEXKY-WXRXAMBDSA-N", "SMILES:O[C@H](C[C@H]1c2c(F)cccc2-c2cncn21)[C@H]1CC[C@H](O)CC1"], "synonym": ["Navoximod", "Navoximod", "GDC-0919", "IDO-IN-7", "NLG-919", "NLG919", "RG-6078", "RG6078", "RO-7077339", "RO7077339", "RO7077339-001", "Navoximod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIIRAUKNAXPTDN-QHCPKHFHSA-N", "SMILES:CC(C)[C@H](N)C(=O)OCCOc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL343480", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYLALLYL DIPHOSPHATE", "xref": ["InChIKey:CBIDRCWHNCKSTO-UHFFFAOYSA-N", "SMILES:CC(C)=CCOP(=O)(O)OP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4588743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIIZECUWKNXLCU-QFIPXVFZSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N3CCC[C@H]3C(=O)O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPAMVWVULWRAC-UHFFFAOYSA-N", "SMILES:Cc1nc(C(C)(C)C)sc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCRIXZNUPMWPPH-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1sc(-c2ccccc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEAGKFJKVJLNEL-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)c1sc(-c2ccccc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZAWMNWRQROJSY-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKUCHBGDOUVQPM-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXKYABUDCYSOA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLBMVGMULMUXNW-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJXISZXXSEZBR-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)NCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBDVKPRUZGKSPR-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)NC1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFHDCICEHUVSIG-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKOMAFLDWSTODF-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDZPRVADGBYBR-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAZVIKQKJJSOBO-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPMVRIFKBQRGE-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFUXZVNPRJEHK-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)NCc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPZQGSEDRMARM-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)NC2CCCc3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMFGNBRCDDCPL-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBMFEWDFUMRYOI-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCCC1)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1385951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTAJVIEGSLZIH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3596703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTINZCJGHCVMMS-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1Cl)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRSYZFGFCIGGNJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ccccc12)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBWRSROOUXDGKG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ccccc2c1)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUAGYYVENJFHQP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCc2ccccc21)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STAXSACHQUSXNS-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOGZGPRJUOJNB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQDINPOEPAMNO-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHQHWYRRCLPFTA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNQAWYEZXHCTL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUGQAZCOFFCAT-ZNTNEXAZSA-N", "SMILES:CCCCCn1/c(=N\\C(=O)C23CC4CC(CC(C4)C2)C3)sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCXRHXQUGBZJP-VHXPQNKSSA-N", "SMILES:CCCCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKQOBFAUDJCQMQ-CLCOLTQESA-N", "SMILES:CCCCCn1/c(=N/C(=O)c2ccc(C(F)(F)F)cc2)sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYYPZJJGLDCDK-CLCOLTQESA-N", "SMILES:CCCCCn1/c(=N/C(=O)c2cccc(C(F)(F)F)c2)sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEXHSACBVXHGJC-WBZWEQEOSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCN=[N+]=[N-])O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCRARMFQBMRVCB-SVMDDNGNSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQZTPFQBGGNJE-PTVQMFPESA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFICEGJMMSFBD-HPLBKJIWSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCCN=[N+]=[N-])O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRBYFDLUVHLHW-PYIFUAMMSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDVYIGLJVHKPEN-ZEWJJOHHSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCCN=[N+]=[N-])O[C@@H]3CO)[C@H](O)[C@@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)(C(=O)O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTFHHVHTDVRETI-QKLDUHAXSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPMUZTUYBCIKHJ-XZROMOIBSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCCN=[N+]=[N-])O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSDWIFFXWCGHDN-KNENCGRQSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCLWRBWNBHQDP-NIOVPBJBSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZHTDQIIXPKAX-UJBTXCHYSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H](O)[C@@H](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@@H]1O"]}
{"name": "Sialic acid-binding Ig-like lectin 14", "xref": ["CHEMBL.TARGET:CHEMBL4523280"], "id": "UniProtKB:Q08ET2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHNUSIGDZXAERC-HODYMDDLSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@@H](O)[C@@H](CO)O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCCN=[N+]=[N-])O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O"]}
{"name": "Sialic acid-binding Ig-like lectin 15", "xref": ["CHEMBL.TARGET:CHEMBL4523355"], "id": "UniProtKB:Q6ZMC9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEAXDGUEMBVMX-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1ccc(-c2ncc(C(=O)O)c(=N)[nH]2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AALXHEPRLHLNCZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(F)c1Nc1ncc(OCc2c(Cl)c(OC)cc(OC)c2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMZHFXRQIOLTDG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)cc(Cl)c1Nc1ncc(OCc2c(Cl)c(OC)cc(OC)c2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONCYYYZIPHCHO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(F)(F)F)c1Nc1ncc(OCc2c(Cl)c(OC)cc(OC)c2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIAMRUEISJNJL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1ncc(OCc2c(Cl)c(OC)cc(OC)c2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514636", "category": ["biolink:ChemicalEntity"], "name": "FISOGATINIB", "xref": ["InChIKey:MGZKYOAQVGSSGC-DLBZAZTESA-N", "SMILES:C=CC(=O)N[C@H]1CCOC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"], "synonym": ["Fisogatinib", "Fisogatinib", "BLU-111362", "BLU-554", "BLU111362", "X-439161", "X439161", "Fisogatinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMBCWOAXSPIQSZ-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2ccccc2o1"]}
{"name": "Chemerin-like receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3540"], "id": "UniProtKB:Q99788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHFWPJFUYLUSK-GOSISDBHSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHFWPJFUYLUSK-SFHVURJKSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMZFEYXDNNUMG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2nccc(-c3c(C)nnn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSTIJUIBDSTMMW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIQAYIYFWBPGI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3338370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMEJQLRLHKWIFV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBUOAQHLBBDFR-PXLXIMEGSA-N", "SMILES:CCC/C(=C\\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCC1CCN(C)CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUIRORNXIOHQR-ZTVDHCKASA-N", "SMILES:[2H]c1c(C(F)(F)F)c([2H])c2c(=O)nc(N3CCC4(CC3)OC[C@H](C)O4)sc2c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOPMRNDJUEKGJ-UHFFFAOYSA-N", "SMILES:CCOc1cc(CNc2ccccc2)ccc1Oc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLTSJFPSIILFSD-UHFFFAOYSA-N", "SMILES:CCOc1cc(CNc2ccc(OC)cc2)ccc1Oc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHQGZRASGWREF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2nc(Cl)cc(Nc3ccc(C(=O)Nc4cccc(C)c4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVYDETYFHSFMR-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccccc2)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVHWARKSBCPYKE-FQEVSTJZSA-N", "SMILES:O[C@]1(CN2CCCCC2)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLKYJFVKKWHIME-HNNXBMFYSA-N", "SMILES:C[C@@H](c1nc(Cc2cccs2)nn1CCO)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYGLBTRNAHHKHS-SFHVURJKSA-N", "SMILES:Cc1nc(CN2CCN(Cc3ccccc3OC[C@@H](O)CN)CC2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFEFZENQJCDPTC-UHFFFAOYSA-N", "SMILES:CSc1ncc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZVDKBZWLASJK-IBGZPJMESA-N", "SMILES:CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDBVTPEDLUQKF-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1-n1cccn1)c1cc(-c2ccccc2O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZSZEWWWNBSGW-NRFANRHFSA-N", "SMILES:COc1cc(CN2CC(c3cccnc3)C2)ccc1OC[C@@H](O)CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNMZAOHTURART-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTLDLOYIAYIQR-CYBMUJFWSA-N", "SMILES:CSc1ncc(CNC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJJTMNNPGHSFP-IBGZPJMESA-N", "SMILES:OCCOc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWQPAWESZCUCR-HUUCEWRRSA-N", "SMILES:CN(C)CCN(C)C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABORJUNHBTVOPQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C2CC3CCC(C2)N3C(=O)C(N)Cc2cnc[nH]2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHDMSQIEOXBJU-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(C(F)(F)F)ccc3n2CCN(CC)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKQXTMJTDBGEJ-UHFFFAOYSA-N", "SMILES:CCCCn1c(Cc2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVZAJNBVGZIEZ-VUCDEPOTSA-N", "SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)OC(Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN3C(=O)C=CC3=O)nn2)c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c([N+](=O)[O-])c2)c(COC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N2CCC[C@H]2[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c2ccccc2)OC)C(C)C)C(C)C)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZGYPDORYUTRD-KRWDZBQOSA-N", "SMILES:N#Cc1c(N)ncnc1N1CCC[C@H]1c1nc2cccc(F)c2c(=O)n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLHWTMBJAFPEC-UHFFFAOYSA-N", "SMILES:Cn1cc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cn(C)c5ccccc45)[se]3)[se]2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZUDGWKTNIKJY-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)[se]2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMQVOQOKBIHPA-MHRDGXECSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQPOQGBASRDUGC-FJOUPPRMSA-N", "SMILES:CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTGHYEJPZUFIKN-KIWUXEEGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](C)N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHLRICDLYXNSF-RZQIEMFVSA-N", "SMILES:CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGYOGBZGAHECE-LESFOWARSA-N", "SMILES:CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFDPFJFPPPGKD-DNBONZEVSA-N", "SMILES:CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O"]}
{"name": "Glutathione reductase", "xref": ["CHEMBL.TARGET:CHEMBL3286088"], "id": "UniProtKB:P70619", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMNCFEICPGXRSJ-HDJSIYSDSA-N", "SMILES:COc1ccccc1-c1n[nH]c2nc(N[C@H]3CC[C@H](NS(=O)(=O)CCC(F)(F)F)CC3)nc(OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZBBAPFIHSZTRP-BRWVUGGUSA-N", "SMILES:COc1nc(N[C@H]2CC[C@H](NS(=O)(=O)CCC(C)C)CC2)nc2[nH]nc(N3CCOC[C@H]3C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIFLBNGPBLYDGZ-ASNOGBRRSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"name": "Inositol hexakisphosphate kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL4523488"], "id": "UniProtKB:Q9UHH9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inositol hexakisphosphate kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL4523367"], "id": "UniProtKB:Q80V72", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379064", "category": ["biolink:ChemicalEntity"], "name": "ISORHAMNETIN", "xref": ["InChIKey:IZQSVPBOUDKVDZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL467591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSBPUYZPWNNGH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CNc2nc(NCc3cccc(C(F)(F)F)c3)nc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKCNJIWRNIRNO-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncnc3cc(-c4ccc(C)cc4)sc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENOEPUDOPGLCP-XMMPIXPASA-N", "SMILES:COc1ccc2c(n1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOAQSHQVPUNGD-DMMHKGTISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](C)C(=O)N[C@H](/C=C/S(C)(=O)=O)Cc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJXUVRJYZJRYCL-BGPVXCRASA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCC3CCCCC32)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGIZLDUBBCLZPZ-GIIYGREOSA-N", "SMILES:CC1=CC(C)=N/C1=C(/CCCCc1cn(CCOc2ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN3CCOCC3)C(=O)N[C@@H](CC3CCCC4CCCCC43)C(=O)[C@@]3(C)CO3)cc2)nn1)c1c(C)cc(C)n1B(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779811", "category": ["biolink:ChemicalEntity"], "name": "PIRONETIN", "xref": ["InChIKey:XIHGDBYGUWEHCV-FSEPSNHWSA-N", "SMILES:C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)C=C[C@H]1CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4437602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVMDKPNKUORMCN-AVHNUOAGSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=C\\c6ccc(Cl)cc6)/C(=N\\NC(=N)N)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUOUJGQDYJDJMC-RVGFQVOCSA-N", "SMILES:CO[C@H](C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)[C@H](OC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMGTDKBTFTFGD-YAKXEHOSSA-N", "SMILES:CC(C)C[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTKQDRUMEBNCAO-VBFIWONVSA-N", "SMILES:CC(C)/C=C/C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PARKGAKGSBKSEQ-TXHHQPHASA-N", "SMILES:CC(C)[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMGTDKBTFTFGD-LEJQEAHTSA-N", "SMILES:CC(C)C[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSWRFIYYJZVPAP-ZDHGETPDSA-N", "SMILES:CC(C)[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYLSTAJCRPAFC-XHKGYQPESA-N", "SMILES:CC(C)[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HREFNPHUAHPZDT-XHKGYQPESA-N", "SMILES:CC(C)[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTPGGSVDEUZJAL-LEJQEAHTSA-N", "SMILES:CC(C)C[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLVKTUJKLMVGF-TXHHQPHASA-N", "SMILES:Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](O)[C@H](O)C2CC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWJBQWKPMZYIQP-GZSMEQTPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](O)[C@H](O)C2CC2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZCUNRLKBASQD-JVEUSOJLSA-N", "SMILES:CC(C)C[C@H](Cl)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOXDPAMEBTJNA-XWXWGSFUSA-N", "SMILES:CC(C)c1cc(C(=O)NS(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUSOWUJUTJOPSO-CNEMSGBDSA-N", "SMILES:CC(C)c1cc(C(=O)NS(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)nc(I)nc43)[C@H](O)[C@@H]2O)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRFCYYQJRCEKF-FZRALXJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](O)[C@H](O)C2CC2)[C@H]2NC(=O)O[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMWQBYRXAUTRB-DMEFTLKTSA-N", "SMILES:CC(C)(C)c1cc(C(=O)NS(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMGTDKBTFTFGD-BDMGVTFQSA-N", "SMILES:CC(C)C[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONQFGSNYXHLWKG-DRWORNMOSA-N", "SMILES:CC(C)C[C@H](S)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDYYSPGKYXWGSL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CC2SC(=O)N=C2O)cc(C(C)(C)C)c1O"]}
{"name": "CDGSH iron-sulfur domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4523399"], "id": "UniProtKB:Q8N5K1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cathepsin K", "xref": ["CHEMBL.TARGET:CHEMBL1075277"], "id": "UniProtKB:P55097", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKAMNFYJFXAVNX-UHFFFAOYSA-N", "SMILES:CC(C)CC(NC(=O)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)C(=O)N(C)N(C)C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBRHGRXSUUCGR-UHFFFAOYSA-N", "SMILES:CC(C)CC(NC(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)N(C)N(C)C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXUPNKLZNSUMC-YUQWMIPFSA-N", "SMILES:CCN(CCCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C)CCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVWIGDCUUVFSZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccccc4C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXASYTJLINRTNC-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccccc4C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGKPSIOJHHBXOP-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccccc4C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARZUMHIABDHPTN-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGWDDPLFUFHZQV-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNACQQZSXILTHA-UHFFFAOYSA-N", "SMILES:O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZRAWLGPIYPQSJ-UHFFFAOYSA-N", "SMILES:O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRCWFMSJCHHGFE-ACLYYTTKSA-N", "SMILES:O=C(O)[C@H]1CNC[C@@H](CN/N=C/c2ccc(-c3ccc(C(F)(F)F)cc3Cl)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAJRMCBKPOLEMY-ACLYYTTKSA-N", "SMILES:O=C(O)[C@H]1CNC[C@@H](CN/N=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBVJKRYRCGTBC-NBWFOSRTSA-N", "SMILES:O=C(O)[C@H]1CNC[C@@H](CN/N=C/c2ccc(-c3cccc4ccccc34)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNIIBSXZJZZIGX-BQSCGJQXSA-N", "SMILES:O=C(O)[C@H]1CNC[C@@H](CN/N=C/c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEHACTOQOBDPGQ-RQPXNKNVSA-N", "SMILES:O=C(O)[C@H]1CNC[C@@H](CCN/N=C/c2ccc(-c3ccc(C(F)(F)F)cc3Cl)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYDVXQTBGTYDR-PPBHMWLHSA-N", "SMILES:O=C(O)[C@H]1CNC[C@@H](CCN/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGNALWDRPKNJGR-UHFFFAOYSA-N", "SMILES:O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMUXIPNUMYYCIZ-QFSRUOIDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSRGVSQBRYKDM-YRVFCXMDSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMAOQLFZCRRCSK-OSYMYGHISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTCJJEBMSGIKGU-OSYMYGHISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POCDBXCRVUAWOQ-BALDRSJZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBPPSBSXXZNYKL-IMJZZGAESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFEFNRMDAKADQL-IMJZZGAESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZAYLBZSNRRXLG-HIIGOLGTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDXMOIGVMKWCOG-OSYMYGHISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDELDWHSMIOMJE-MUGJNUQGSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSDXTTXERGKKH-BCAOEVRMSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSKHVZAJPNFSLY-QOJCPNLVSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYMSXYKQOWNDKR-RDTHBMROSA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)N(CCNC(=O)c3cccc(C(=O)NCCN([C@H](CCN4C(=O)c5ccccc5C4=O)C(=O)NO)S(=O)(=O)c4ccc(-c5ccc(OC)cc5)cc4)c3)[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092797", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROCELASTROL", "xref": ["InChIKey:WZAUFGYINZYCKH-JJWQIEBTSA-N", "SMILES:Cc1c(O)c(O)cc2c1CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4435850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWEFLCOABYDDSB-UHFFFAOYSA-N", "SMILES:NCc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 19", "xref": ["CHEMBL.TARGET:CHEMBL4523156"], "id": "UniProtKB:O94966", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 17-like protein 24", "xref": ["CHEMBL.TARGET:CHEMBL4523281"], "id": "UniProtKB:Q0WX57", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLZUILRKJGVSGQ-UHFFFAOYSA-N", "SMILES:N/N=C/NCc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOOOBCLXKMFOLO-UHFFFAOYSA-N", "SMILES:NCc1ccc(OC(=O)Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUPCTKGEGPTNW-UHFFFAOYSA-N", "SMILES:NCc1ccc(OC(=O)Oc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNVAUWYZPVVZIE-UHFFFAOYSA-N", "SMILES:NCc1ccc(OC(=O)Oc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKTUKRBLWOHYIL-MLPAPPSSSA-N", "SMILES:O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQQKICGMSZCJL-AWEZNQCLSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)[C@H](C(C)C)n2c(=O)[nH]c3ccccc3c2=O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTIMNQDTQKVSO-YWCYBNEGSA-N", "SMILES:C#CCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NC(CCCNC(=N)CCl)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRAVUPOEFDEIOQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFGIHPGRQZWIW-DVKDBIPTSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)C(O)C(=O)NO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4463174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZLDHCSWGXPGJS-DQEYMECFSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSQOLBBEBNGCO-SFTDATJTSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSODOLAEJOXYRB-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccc(N2CCNCC2)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZZAQZIEMXUGMZ-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccc(NC(=O)C(F)(F)F)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHUGYPJIZZZIQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEDJYBNXCKLGB-UHFFFAOYSA-N", "SMILES:Nc1cccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGSNADWJKWFEJ-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1cccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNZBLNMIJNBSF-HSZRJFAPSA-N", "SMILES:CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNZBLNMIJNBSF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPETVRDSRIAFAE-AIADIJKESA-N", "SMILES:O=C(/C=C/c1ccc2ccccc2c1)N[C@@H](CCC(=O)N1CCOCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYOREDREOFAKZ-FNNXTJRKSA-N", "SMILES:CC(=O)OCOC(=O)[C@H](CCC(=O)N1CCOCC1)NC(=O)/C=C/c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKQVQSJCBBIJFN-OAQYLSRUSA-N", "SMILES:Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEBVTYCKKTZQMP-UHFFFAOYSA-N", "SMILES:COC(=O)C1=CC=COc2oc3cc(C)cc(O)c3c(=O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4441858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAMOKUUPFRSSLA-UHFFFAOYSA-N", "SMILES:COC(=O)C1=CC(C)=COc2oc3cccc(O)c3c(=O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4454905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXZFICNOPPNYJM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPDFIMLLXXDOQ-KJSSOSAUSA-N", "SMILES:C/C=C1C(=C\\c2[nH]c(/C=C3/N=C(/C=C4/NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)/NC(=O)C/1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4449649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWYDHAWGEGGNJR-NRFANRHFSA-N", "SMILES:Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNFUWNLENRUDHR-HKBQPEDESA-N", "SMILES:COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3088326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEEAKOAOZGADSP-XFXZXTDPSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3088327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLCINGHMDIMVMQ-FMIVXFBMSA-N", "SMILES:O=C1Nc2ccccc2/C1=C\\c1nnc2ccccc2c1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4445621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQHAROORCYWRRH-UHFFFAOYSA-N", "SMILES:N=C1C(=O)NC(=O)c2cc(-c3ccccc3)sc21"]}
{"name": "Protein tyrosine phosphatase type IVA 3", "xref": ["CHEMBL.TARGET:CHEMBL4523445"], "id": "UniProtKB:Q9D658", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402063", "category": ["biolink:ChemicalEntity"], "name": "E-GUGGULSTERONE", "xref": ["InChIKey:WDXRGPWQVHZTQJ-AUKWTSKRSA-N", "SMILES:C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4472185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZDVFRQDBQYMOC-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(COC(=O)CNC(=O)c3ncc(-c4cn(CCOc5ccc(Cl)cc5)nn4)cc3O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZLHNFSSBBSFC-XMMPIXPASA-N", "SMILES:CCC(=O)N1CCC[C@@H](n2c(=O)c(-c3cccc(F)c3Cl)c(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJEJFFCPVBZSIE-OAHLLOKOSA-N", "SMILES:Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)O)cc3)n2C)c(Cl)c1Cl"]}
{"name": "3-hydroxyisobutyrate dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523215"], "id": "UniProtKB:P31937", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAFBYGAHKPYGK-OAQYLSRUSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXSWJPZSYAILR-GELBQSLWSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCOCCOCC(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRITYVDXXFOOAU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cc(C(=O)Nc3nccs3)ccc2c1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWXTJQMEBQCIZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1"]}
{"name": "Neurotensin receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL3570"], "id": "UniProtKB:O88319", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWUCZZRHVPBRQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(-c2nnc(SCc3ccccc3)n2Cc2ccccc2)cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVTQWKXQUYGDCA-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBANWSBNXBYNPW-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nnc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGATUYITYPANU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(-c2nnc(SCc3ccccc3)n2Cc2ccccc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2229108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYZNZHRVJWTLT-SRQIZXRXSA-N", "SMILES:O=C1N[C@@H](CO)C(=O)N2C[C@H](O)C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4540326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVKFOMHBLHARA-KATARQTJSA-N", "SMILES:CC(C)[C@H](N)C(=O)OC[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSBYUFDCGZIMR-SRQIZXRXSA-N", "SMILES:O=C(O)[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4470092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEGFONFVHVRWGK-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccccc3Cl)nc3c2Cc2c(O)cccc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKTZPJZEQQPXSE-QPUQKPAHSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](Br)CCC2=C[C@@H]1OC2=O"]}
{"name": "TGF-beta receptor type-1", "xref": ["CHEMBL.TARGET:CHEMBL4523265"], "id": "UniProtKB:P80204", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJJYGHHOMEKGI-QPUQKPAHSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](Cl)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGVZCSFIQFRWHI-USZOJTKQSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)C(=O)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDFTZGXDOSMZMN-UFOLEPLCSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](OC(=O)c2cccnc2Cl)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXWUAGBXSRZAOF-ZAIWJUQASA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBSFMHBVGGKLN-NVIKZXAWSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTYGQBCMYJEDT-UPCWHQCGSA-N", "SMILES:C=C(C)[C@@H]1C[C@@H](O)/C(C)=C/CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGWWKPRDQNGBKN-ZKZSOYRCSA-N", "SMILES:C=C(C)[C@@H]1CC/C(C)=C/CCC2=C[C@@H]1OC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4447956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJOSPIVZKJZWOW-XPCVCDNBSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C)O[C@@H]2CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFRFOFSESJLILJ-QPUQKPAHSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](F)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJGABUDGJGKZJZ-MJBXVCDLSA-N", "SMILES:C=C1CC[C@@H](C(=C)C)[C@@H]2C=C(CC[C@H]1F)C(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJUHTEFWFCFCBI-UPMRWJAHSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@@H](O)CCC2=C[C@@H]1OC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4528108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJUHTEFWFCFCBI-QPUQKPAHSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](O)CCC2=C[C@@H]1OC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4442607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWKMRLOMNWQWIG-HCHVNFJNSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](OC(=O)c2cccs2)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXDUXASZFOVAJ-GSBYDSFMSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](OC(C)=O)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLADCLGQIYHEKF-ZAIWJUQASA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](OC(=O)c2ccc(C(F)(F)F)cc2)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVIMPQBDNSULH-QPUQKPAHSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](N=[N+]=[N-])CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUOLHIJJMQUMAN-QPUQKPAHSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](O[N+](=O)[O-])CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCWVOGQWIXVGJ-UAAWINJSSA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](OC)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXPCQEWRZMADBQ-UWRPEMOASA-N", "SMILES:C=C(C)[C@@H]1C/C=C(\\C)[C@H](OCC)CCC2=C[C@@H]1OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458337", "category": ["biolink:ChemicalEntity"], "name": "OXYMATRINE", "xref": ["InChIKey:XVPBINOPNYFXID-LHDUFFHYSA-N", "SMILES:O=C1CCC[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@H](CN12)[C@@H]34"], "synonym": ["Oxymatrine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4167734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYWJVIYWKCDEE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLQZWSQEMKEIL-YBEGLDIGSA-N", "SMILES:O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3423015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBJKHBPNIRWAS-RPSZKARGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAFLTUQDNVDCCP-PRDVVYQQSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNENLABLFGGAFF-BHIFYINESA-N", "SMILES:O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYWIQHJXAEJOD-IBGZPJMESA-N", "SMILES:Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[C@H](C(=O)O)C3)c3ccccc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBWJOQJHXVYEPI-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)Nc2cc3c(C(=O)NO)c(C)n(S(=O)(=O)c4ccc(OCC)cc4)c3c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNGJXBUEQNFBQ-GCJKJVERSA-N", "SMILES:COc1cc([C@@H](CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBPMQISVQNVGD-PDOMDSBESA-N", "SMILES:CCCCC1CCCN1C(=O)[C@@H]1CCC[C@H](c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDVHOZBZQJJOFX-UHFFFAOYSA-N", "SMILES:Cc1nc(N)c2ncn(C3CN(C(=O)c4ccn(CC5CCN(C6C=CCCCC6)CC5)c4)C3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKAVKZKOFSSMY-DEOSSOPVSA-N", "SMILES:Cc1cc2c(ncn2C2(C)CN(C(=O)c3ccn(CC4CCN([C@H]5C=CCCCC5)CC4)c3)C2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSJXDEAMGGTCOH-JQJHLDHWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDPYYHUIAEALK-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(F)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPNFUWYPHOJIU-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(Cl)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPNRXOVUEHGBHT-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(Br)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDDYCWJCTGXGIS-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3ccc(OCCCCCCN4CCCCC4)cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDAAOODIQQYYCC-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1cc2c(Nc3cc(Cl)cc(Cl)c3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLMKBTGLZJIAMY-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCCN=C=S)cc3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961833", "category": ["biolink:ChemicalEntity"], "name": "AZD-9898", "xref": ["InChIKey:RVMWIVNHZMXEHS-UWVGGRQHSA-N", "SMILES:COc1nc(N(CC(C)(C)F)c2cc(Cl)c(F)cc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O"], "synonym": ["Azd-9898", "Azd9898"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGBFASGLUFFKGJ-UIOOFZCWSA-N", "SMILES:CCN1C(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@@H](c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXFJFOHLZOGEC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1[S+]([O-])CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYOSMIIPIQXLMM-WMZOPIPTSA-N", "SMILES:CCS(=O)(=O)c1ccc2oc(-c3ccc4c(c3)C=C[C@H](O)[C@H]4O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKZZBEHFBMIUKL-SJLPKXTDSA-N", "SMILES:CCS(=O)(=O)c1ccc2oc(-c3ccc4c(c3)[C@@H](O)[C@H](O)C=C4)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1626106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPCGOYHSWIYEMO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCBXICHKRFGNH-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Cc2ccc3ccccc3c2)c(OC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZGUIPYVGPQFT-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Cc2ccc3ccccc3c2)cc1"]}
{"name": "Fatty acid-binding protein, heart", "xref": ["CHEMBL.TARGET:CHEMBL3344"], "id": "UniProtKB:P05413", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fatty acid-binding protein 5", "xref": ["CHEMBL.TARGET:CHEMBL3674"], "id": "UniProtKB:Q01469", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRAXDBMUHNGASQ-ZDDZGFSXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)CNC(C)=O)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CNC(=O)CC[C@@H]2NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(N)=O)[C@@H](C)CC)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMPJRGWSUCANB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(-c2cccc(Cl)c2)c(CNC(=O)Nc2ccc(CO)c(F)c2)s1"]}
{"name": "Transient receptor potential cation channel subfamily V member 3", "xref": ["CHEMBL.TARGET:CHEMBL3879838"], "id": "UniProtKB:Q8K424", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLQNYOOKITUPG-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(Nc3ncc(-c4ccncc4)s3)nc(C)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQKCDFOTMDGCU-PYZHFFOYSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCCCOC(=O)/C=C(\\C#N)c4ccc(F)cc4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTKWVAWIVNAHFB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1F)c1c(-c2cccc(F)c2)[nH]c2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKVBSCBULHULM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1F)c1c(-c2cccc(F)c2)[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZDHPOVJRTXDG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ncccc1F)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNLLCLLEUIZHI-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccccc2)c(Nc2ccc(I)cc2F)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMURFXVBFVKUNB-MYOMABOUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(=O)N[C@H]1CN(c2ccccc2)C1=O)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRMQORWVFJFIV-ALKXEMMNSA-N", "SMILES:COc1cccc(COc2ccc([C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c3ccc(-c4cccs4)s3)C(N)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDEBSSDYLYMTHL-GJZGRUSLSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVUOIXVLPIIDQS-FCHUYYIVSA-N", "SMILES:N[C@@H](C(=O)N[C@H]1CN(c2ccccc2)C1=O)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQMHCHCGRNFPM-MGDLYIKJSA-N", "SMILES:CC(C)(C)c1cc(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNKPLVEWZGMFL-GPXXBVJESA-N", "SMILES:COc1cc(C)c(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4c(C)cc(OC)cc4OC)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVSASKRXAUSTR-NMQQGMGDSA-N", "SMILES:COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIAZDJHQRNSVEJ-GXXSFGQDSA-N", "SMILES:COc1ccc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)/C=C/c4ccc(OC)c(OC)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTWJAVLSUVOAX-POBDBQMVSA-N", "SMILES:CCOc1cc(OCC)cc(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4cc(OCC)cc(OCC)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQKEJHOZRPULU-MGDLYIKJSA-N", "SMILES:CC(C)(C)c1cc(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFKXCGYWJVERQ-CRHHOLNBSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4cc(C(C)(C)C)ccc4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFUWESVSIMNTR-OHHMLJAXSA-N", "SMILES:CC(C)(C)c1cc(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBLFKHRRNPHRLY-WXKYVOLFSA-N", "SMILES:CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)c4c(O)c(C(C)(C)C)cc(C(C)(C)C)c4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELBFTMXCIIKKX-QVRQZEMUSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4445918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKMJFTKKOMFTTE-UHFFFAOYSA-N", "SMILES:COCCN/C(=N/O)NCCCCN"]}
{"name": "Mitochondrial amidoxime-reducing component 1", "xref": ["CHEMBL.TARGET:CHEMBL3706559"], "id": "UniProtKB:Q5VT66", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial amidoxime reducing component 2", "xref": ["CHEMBL.TARGET:CHEMBL4523423"], "id": "UniProtKB:Q969Z3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVVPTQVHGBUAA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)C2(NC(=N)Nc3ccc(C)cc3)CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2140832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDYXAJZYGMHQDN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXEDNWSUKCJLLB-LURJTMIESA-N", "SMILES:CC(C)C[C@H](N)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AULDNIRJFAYHPL-JTSKRJEESA-N", "SMILES:[O-][S@@+](Cc1cscn1)[C@@H](c1ccccc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYOUTZBUOQBAAE-UHFFFAOYSA-N", "SMILES:CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"name": "Putative nitroreductase", "xref": ["CHEMBL.TARGET:CHEMBL4523956"], "id": "UniProtKB:Q4A0P1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:342451"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLJXXODEPARJO-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGNCMUWOBHOSEQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHTVQEPJVKUMPI-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BODVHYWDNZZHID-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZAHSOZWFOSGD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUJWAFXGOBBCX-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUAYUCPDNJMFBG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2cc(F)cc(F)c2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAUTJGBTRLJEK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBFMJZROXYGFD-VIFPVBQESA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCC[C@H]2CO)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPGYUYKSTWTQFS-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNAUVWBTZSNEF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCCC(O)C2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNONFGXPIHDLRG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1429274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZZSCLMMWLSRF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSYJLYORHUVDG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2cccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSEVVJIYKQUECO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFFVMBYEMXWPBG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIITZHMOHBILGK-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPUJBMNHPTPEY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLHFUXOHGDBZKL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(Nc2cc(Nc3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYEZCFZTQNBQMH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2cc(Nc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UANHTNRCUSWWAN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(O)cc2)cc1Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDSYOKBOFSLPO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(S(=O)(=O)O)cc2)cc1Nc1ccc(S(=O)(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCQKPARLSNYBB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXOVKIXBELRNBV-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJLVFOTVAYLCTR-UHFFFAOYSA-N", "SMILES:O=C(CC(F)(F)F)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHKBGMYFMFUWMX-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIVVGUHXJFOJS-UHFFFAOYSA-N", "SMILES:CCC(=O)Oc1cc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCMWYTPAJMSCBN-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Oc1cc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQBJHLTZZBFNC-UHFFFAOYSA-N", "SMILES:COCCC(=O)Oc1cc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILRWUXBWBLEHX-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1cc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOXIGQZSJLIHW-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)c1)N1CCOCC1"]}
{"name": "Glycylpeptide N-tetradecanoyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2169722"], "id": "UniProtKB:Q8ILW6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKQPLUGZRWKNZ-HDJSIYSDSA-N", "SMILES:Clc1cccc(O[C@H]2C[C@H](NCc3cnc4[nH]ccc4c3)C2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUESYMDEEJHSFB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCCN(C)CC3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVNAGGGVYLRXHP-RKCRLKBVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVFSUZHBTIUSFU-YERRWYKUSA-N", "SMILES:Cc1ccc(C[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRGXDSPEUYYKM-XIQIEEFNSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVSJASXLAQMOSX-XIQIEEFNSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBGPBHRYFCMIPN-XIQIEEFNSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKONCIPMLLIAIL-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFRCKPVMWDRAK-GOSISDBHSA-N", "SMILES:C[C@H](c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537673", "category": ["biolink:ChemicalEntity"], "name": "BAY-985", "xref": ["InChIKey:HZRJHVDNTDBTOZ-QGZVFWFLSA-N", "SMILES:C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVONGJUEQGKOIL-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCn3c(cc4ccccc43)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNLAPBHSZSONN-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCn3c(cc4cc(Cl)ccc43)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHCABJHZMIVPA-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)cc1n2CCN2C(=O)c3ccccc3N(C)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJCATDRZHHIVMG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(F)ccc3N(C)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLFLODKZIGYHNR-YFXVFWABSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFUDPXQGWCYCCR-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(CCC(=O)NCCCCCCCCOc2cccc3c2C(=O)N(C2CCC(=O)N(C)C2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUSYPBPUEKXCSS-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(Nc3nc(NCc4cccnc4)ncc3Cl)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFKSXHAFLCLLP-CALCHBBNSA-N", "SMILES:COc1cc(Nc2nc(N3C[C@@H](C)N[C@@H](C)C3)ncc2F)ccc1NC(=O)c1ccc(C2=CCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPWKTWGLXFWEGW-PHIMTYICSA-N", "SMILES:COc1ccc(Nc2nc(N3C[C@@H](C)N[C@@H](C)C3)ncc2F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKEFXISLNXNNHR-GASCZTMLSA-N", "SMILES:COc1cc(Nc2nc(N3C[C@@H](C)N[C@@H](C)C3)ncc2F)ccc1NC(=O)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGQPRAGTMJWLG-IYBDPMFKSA-N", "SMILES:COc1cc(Nc2nc(N3C[C@@H](C)N[C@@H](C)C3)ncc2F)ccc1NC(=O)c1ccc(-c2ccoc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VISHSGZPGQKEFX-KHPPLWFESA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKBGCTZYPOSQM-HPSWDUTRSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUARESYILPYSMH-UHFFFAOYSA-N", "SMILES:Nc1cc(OCCOCCOCCOCCOc2cc(N)nc3ccccc23)c2ccccc2n1"]}
{"name": "Neutrophil cytosol factor 1", "xref": ["CHEMBL.TARGET:CHEMBL1613743"], "id": "UniProtKB:P14598", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSBOHXLHGYVOTL-UHFFFAOYSA-N", "SMILES:Nc1cc(N2CCN(CCOCCOCCOCCN3CCN(c4cc(N)nc5ccccc45)CC3)CC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXKGUVOSZZCMQN-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCOCCOCCOc3ccc4nc(N)ccc4c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL61236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMNJUJAKQGROZ-UHFFFAOYSA-N", "SMILES:Nc1ccc2ccccc2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4570509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIFAZAIURDZQN-UHFFFAOYSA-N", "SMILES:NCc1cccc(CN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGTPSAZJSOQXHJ-UHFFFAOYSA-N", "SMILES:CN1CCC(CN)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQLZGQUKWNQYPH-UHFFFAOYSA-N", "SMILES:CN1CCCN(Cc2ccc(CN)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJTVZWBZDHZISX-UHFFFAOYSA-N", "SMILES:CNCc1ccc(CN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOEOYDRQGMQWID-UHFFFAOYSA-N", "SMILES:CNCc1ccc(N2CCCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJBTEMLBKZLIT-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2ccccc2CN)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZMDSOVRERQVFE-QZIDOGQLSA-K", "SMILES:CCCCCCCCCCCCCC[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[I-].[I-].[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEVYSYMOGQACHH-QEWBMAJUSA-K", "SMILES:CCCCCCCCCCCCCCCCCC[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[I-].[I-].[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKIDCVXZSHSGP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2ccc(Nc3ccnc(N4CCNCC4)n3)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXHODMMACVLQQ-NEPJUHHUSA-N", "SMILES:C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2sc(-c3cc[nH]n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDSFLSQVYLSBS-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CCCC(O)c2ccc(F)cc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWMCICHXQRKKX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWPIZLOXKPAPCU-RXQFCVLDSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(C(=O)OCCOCCOC(=O)/C1=C/CC[C@@]3(C)O[C@H]3[C@H]3OC(=O)C(=C)[C@@H]3CC1)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWKJWVSEDISQIS-UHFFFAOYSA-N", "SMILES:Cn1c2cc([S+](C)[O-])sc2c2cnn(Cc3cccc(N)c3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7257", "category": ["biolink:ChemicalEntity"], "name": "MEBUFOTENIN", "xref": ["InChIKey:ZSTKHSQDNIGFLM-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCN(C)C)c2c1"], "synonym": ["Mebufotenin", "Mebufotenine", "Mebufotenina", "5-meo-dmt", "5-methoxy-n-dimethyltryptamine", "5-methoxydimethyltryptamine", "Mebufotenin", "NSC-88624"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL411767", "category": ["biolink:ChemicalEntity"], "name": "ARCHAZOLID B", "xref": ["InChIKey:BYVUBCIRZIXXCV-OZCJWKDYSA-N", "SMILES:CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4568628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTNMSAUAXSTYIU-QGCFADIRSA-N", "SMILES:COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC2=C/C(=N/O)c3ccccc3C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRLJBDXWDATLA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMYXCQOKPQVAIY-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPPGEOUCUMGOGK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRGVHIAOLGZJX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCYPCFHNBZJNB-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccccc1)c1ccccc1O"]}
{"name": "D-alanine--D-alanine ligase", "xref": ["CHEMBL.TARGET:CHEMBL4523951"], "id": "UniProtKB:Q47758", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226185"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTHJTUPRVAXFZ-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWNICGRWRYAKN-JSOSNVBQSA-N", "SMILES:Fc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3c2cccc3P(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJJREZKNJXHGKD-ZWXJPIIXSA-N", "SMILES:Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3c2cccc3P(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTJHAVAFLHSSAN-SAIUNTKASA-N", "SMILES:COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)c3cccc(P(c4ccccc4)c4ccccc4)c3N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOANCOPVRNCVHH-ZWXJPIIXSA-N", "SMILES:COc1ccc([C@@H]2C[C@H](c3ccccc3)c3cccc(P(=S)(c4ccccc4)c4ccccc4)c3N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGCCLJAAXAZUBT-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(P(=S)(c4ccccc4)c4ccccc4)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFRGJSADOQCKK-UHFFFAOYSA-N", "SMILES:O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc(F)cc3)cc(-c3ccc(F)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEKSDKMIWAFQQH-FAEIBLRNSA-N", "SMILES:C=C1CCC2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CCOc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392438", "category": ["biolink:ChemicalEntity"], "name": "LIPOXIN A4", "xref": ["InChIKey:IXAQOQZEOGMIQS-SSQFXEBMSA-N", "SMILES:CCCCC[C@H](O)/C=C/C=C\\C=C\\C=C\\[C@@H](O)[C@@H](O)CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4462922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXMROVCMLMHKD-ATNDNMNUSA-N", "SMILES:CCCCC[C@H](O)c1nc(-c2ccccc2)n(-c2ccccc2)c1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZWOOSQQQLYBJF-FTJWLTEJSA-N", "SMILES:CCCCC[C@H](O)c1nc(-c2ccccc2)oc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBGFBROZZUTKG-PHCFSIKCSA-N", "SMILES:CCCCC[C@@H](O)c1c(/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQBTUIJFUPRJOH-LXOXETEGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLWGAMHEUFJZOW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4cccnc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"name": "3-(3-hydroxydecanoyloxy)decanoate synthase", "xref": ["CHEMBL.TARGET:CHEMBL1795159"], "id": "UniProtKB:Q51559", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQACPVITSCLFM-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWJEPMOTPNIHU-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2NC(=O)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCEVSVWCSUFJFR-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2nc(Nc3ccc(N4CCCCC4)nc3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKLMQRMYZFPTG-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2nc(Nc3ccc(F)cc3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYJMAXSFHOPKJH-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2nc(Nc3ccc(N4CCOCC4)nc3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVJKVPGFCGDFZ-ZDUSSCGKSA-N", "SMILES:Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKMNFVOBUHBSEJ-UHFFFAOYSA-N", "SMILES:CCN(CCCCNC(=O)c1cc(O)c(C(=O)NCCCCN(CC)Cc2ccccc2OC)cc1O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUYSUHKUGAYDJQ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNUAITAEEJPXAZ-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFACGKVZLPVIL-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNGLWWCXHUBMT-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTEDLDZSZVMYSV-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCc3cccc(NCc4ccc(C(=O)Nc5ccccc5N)cc4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULDICFKROAUEGV-WLHGVMLRSA-N", "SMILES:Clc1ccccc1CN1CCC(CNCc2cccc(-c3ccccc3)c2)CC1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSVPTKSONMNBC-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLDJTHHLHVBYOQ-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMLGNOUFIXZADN-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1ccnc2cc(OCc3ccc(F)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTCFYBGLEUOJNE-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC(C)CF)c12"]}
{"name": "MAP kinase-interacting serine/threonine-protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4523120"], "id": "UniProtKB:O08605", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYUYQRZJGOEERQ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCCCN2CCCC2)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12"]}
{"name": "MAP kinase-interacting serine/threonine-protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL4523384"], "id": "UniProtKB:Q8CDB0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOGDPWVBCCZIN-ROUUACIJSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@](O)(CN)C2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNENMRHMMPEJRB-KTKRTIGZSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSWTYTYNZSIXBR-KTKRTIGZSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)Nc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LREAKYKJIZYKTQ-KTKRTIGZSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)Nc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSHDQXPMIDNHQ-FPLPWBNLSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)Nc1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVNPCRXQYUODP-HJWRWDBZSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)Nc1ccc(C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOWFYXYXGKTQRZ-SREVYHEPSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)Nc1ccc(Cl)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTPXKVJZOECKF-UHFFFAOYSA-N", "SMILES:CCCCCCCCNc1nc(=O)n(Cc2ccccc2)cc1C"]}
{"name": "Toll-like receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL4523480"], "id": "UniProtKB:Q9QX05", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUKLCROUUHPPZ-UHFFFAOYSA-N", "SMILES:Cc1cn(Cc2ccccc2)c(=O)nc1NCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYTFPOUVGJUVFP-QZHFEQFPSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKDQUMFHYIGAW-RNVRALISSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFXLFKYQTVRMJ-NHUSPQTBSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAHBZSXHNUAECQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ccc2n1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFFXTDRWUNSPP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ccc2n1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOXQWHKLICMAJU-WSAPMCIOSA-N", "SMILES:CC(=O)[C@@]12C=C(C(C)C)CC[C@@]1(C)[C@H]([C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C[C@H]2O"], "chembl_natural_product": true}
{"name": "General transcription and DNA repair factor IIH helicase/translocase subunit XPB", "xref": ["CHEMBL.TARGET:CHEMBL4523193"], "id": "UniProtKB:P19447", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIODEEANJKNPJV-LTMIRXACSA-N", "SMILES:COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@@H](CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURMBFWELBCIAZ-SEMUBUJISA-N", "SMILES:COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](F)C(=O)O)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURMBFWELBCIAZ-BSPFGIBGSA-N", "SMILES:COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](F)C(=O)O)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBSQOGHKCGMNEP-WLUNNBRASA-N", "SMILES:COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)O)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBSQOGHKCGMNEP-ZOJRQMPKSA-N", "SMILES:COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@](C)(F)C(=O)O)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIODEEANJKNPJV-GWJPWWOOSA-N", "SMILES:COc1ccc(F)c([C@H]2CC[C@@H](COc3cccc([C@@H](CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWQHRZXEQNUCSY-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OCC)c(NC(=O)OC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWDDTFYKJHJKG-MFSUDZAWSA-N", "SMILES:CCCCCCC(CCCCCCCCCCC(=O)OC)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWDDTFYKJHJKG-UNEQZNFYSA-N", "SMILES:CCCCCCC(CCCCCCCCCCC(=O)OC)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWDDTFYKJHJKG-IAKBMAKFSA-N", "SMILES:CCCCCCC(CCCCCCCCCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWDDTFYKJHJKG-SUYJKPKJSA-N", "SMILES:CCCCCCC(CCCCCCCCCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJSYZNIQBUVLOD-PKOXRRPSSA-N", "SMILES:CCCCCCC(CCCCCCCCCCC(=O)OC)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQFDBQCBXUWICP-OAHLLOKOSA-N", "SMILES:N#CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRVYIDCVTDVQSO-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1cn(-c2ccc(C(=O)O)cc2)nn1"]}
{"name": "ORF 73", "xref": ["CHEMBL.TARGET:CHEMBL1741163"], "id": "UniProtKB:O40947", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:37296"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOWLCEQWOYBWGX-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cn(-c3ccc(C(=O)O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTUOLQHJYZYDN-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-n1cc(-c2ccc(C(=O)O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CALAFEGXXZJBTB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cn(-c3cccnc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRMOGQHSBUGKH-KFWDTITQSA-N", "SMILES:COC1Cc2ccccc2[C@]2(CC[C@H](N(C)CC3CCCCC3)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLCVCCFNDIFMM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc2ccccc2n1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNQAMKQPQVGHL-UHFFFAOYSA-N", "SMILES:CN(C)Cc1nn(Cc2ccc(C(=O)NO)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMKIXMJBZVVFRQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(CN3CCCC3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTPYEZDXQILRLC-UHFFFAOYSA-N", "SMILES:CN1CCCC1c1cn(Cc2ccc(C(=O)NO)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMZRDPEXXAZRV-ZHACJKMWSA-N", "SMILES:CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=C/C(=O)NCc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQLHEOCJDBHLJ-UHFFFAOYSA-N", "SMILES:CCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CCN(CC)CC5)ncn4)s3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZSYFPZJFOBJL-TWHBEBAHSA-N", "SMILES:C=C1CC[C@@H]2[C@H]3O[C@H](CCCCCCC)Cc4cc(O)c(C(=O)O)c(c43)O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQJWIMJHPBXTF-PIGZYNQJSA-N", "SMILES:CCCCCCC[C@@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@H](O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL264684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBYGAPWKTPDTAS-OCAPTIKFSA-N", "SMILES:C[C@H]([C@H](C)N1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMRKGDIFOSKLJZ-WEPCFRHYSA-N", "SMILES:CCCCCCC[C@@H]1Cc2cc(O)c(C(=O)O)c3c2[C@H](O1)[C@H]1[C@@H](OC)/C=C(/COC(C)=O)[C@H]2CC(C)(C)[C@]2(O)[C@@H](O)C[C@]1(C)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEZDQSKPNPRYAW-UHFFFAOYSA-N", "SMILES:O=c1oc2c(O)c(O)ccc2c2cc(O)c(O)cc12"]}
{"name": "Polypeptide N-acetylgalactosaminyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL3713355"], "id": "UniProtKB:Q10471", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJMOGCHCNBDFX-UHFFFAOYSA-N", "SMILES:CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRMOBVZLNQXLBI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSIVNPPIFLZSOE-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXDJBNZIHUPGX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(=O)n(O)c(=O)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTCDBPTYKZRMD-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccccc1-n1c(C)nnc1C"]}
{"name": "Histone-lysine N-methyltransferase SETDB1", "xref": ["CHEMBL.TARGET:CHEMBL2321646"], "id": "UniProtKB:Q15047", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSFKEYYXWNCOX-FFFNHMGKSA-N", "SMILES:CC(=O)NCc1ccccc1-n1c(C)nnc1CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEEIZXCFEVISIX-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccccc1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWHFCWFYFHHJTG-UHFFFAOYSA-N", "SMILES:Cc1nnc(C)n1-c1ccccc1CNS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZHICGIAKKAMAP-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNFBJZZMXHIWAV-ATODSZFTSA-N", "SMILES:CC1(C)O[C@H]2[C@H](c3c(O)cc(O)c4c3O[C@@H]3c5cc(O)c(O)cc5C(C)(C)O[C@H]3C4)c3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZTXRFKWAANLRE-JYAUKCALSA-N", "SMILES:CC1(C)O[C@H]2Cc3c(O)cc(O)c([C@@H]4c5c(O)cc(O)cc5O[C@H](c5ccc(O)c(O)c5)[C@H]4O)c3O[C@@H]2c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZJEEAOWLFHDH-AVFWISQGSA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2269091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJAXMORBPLKCL-DLBZAZTESA-N", "SMILES:CC1(C)O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL551051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQBOBGVBBZLJU-OAHLLOKOSA-N", "SMILES:O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccccn1"]}
{"name": "Metallo-beta-lactamase NDM-4", "synonym": ["NDM-4"], "xref": ["CHEMBL.TARGET:CHEMBL4295642"], "id": "UniProtKB:H6WZS9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMIEAGQVWLUNE-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCN(Cc2ccc(OC)cc2)Cc2cccc(C(=O)O)n2)Cc2cccc(C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZACPBJJXGQBC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNCCNCc2cccc(C(=O)O)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGWATTXCFBRGY-ZEQSIELKSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC/C(=C\\c3cc(OC)c(OC)c(OC)c3)C2=O)ccc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUXWWVMQPNGGF-KWKAUDIHSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC/C(=C\\c3cc(OC)c(OC)c(OC)c3)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSTOJSNXCJOZLO-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(S(=O)(=O)N2C(=O)NC(=O)C23CCCc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72637", "category": ["biolink:ChemicalEntity"], "name": "CIRSILIOL", "xref": ["InChIKey:IMEYGBIXGJLUIS-UHFFFAOYSA-N", "SMILES:COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4549265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSSETMOEFMNLH-VZMBREDGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYFAFZGSLJCFU-ZXGTYRLSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLBGGJUEPIXJBT-ZXGTYRLSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSZAPRSLRPQKY-ZXGTYRLSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPVBRZAMXJSDCS-DQTSAPLQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKHCURVUPISFC-DQTSAPLQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKFASJVOZNLML-DQTSAPLQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMOTTUBWMIVSN-YNGBECFJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYUSLYAQCXAHJ-RZOMHTMRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNVOONDGKKNHQG-RZOMHTMRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWFEKKOADLBMR-RZOMHTMRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMBBRGCLFFGJGE-DLOBYNMVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XARORXXRHNIWMW-DLOBYNMVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDMPAYDUVVRLLG-DLOBYNMVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZGJGANLGVSXQW-PMJIRDLVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKCUCGBTFITELV-UYYPNSIVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOMNBDNPZCHEFT-UYYPNSIVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWUKIDDXRVJNIS-UYYPNSIVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFZISMITLINOIJ-IDAANYCTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJLPRQBAWKMFU-IDAANYCTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNIDCFFOUKJILS-IDAANYCTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFIZEFTYCPJSNQ-LORKHZJOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWZJYMIPMVBAO-SRBJTIRZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBNKVQQONBSMOO-PGFOTUHSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMBOOOZDJSCAN-KDGZGCSXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPIUAKFFJUCBFJ-HMXMLYODSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](C)CC)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"name": "Lactotransferrin", "xref": ["CHEMBL.TARGET:CHEMBL4523161"], "id": "UniProtKB:P02788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANXJBIOBLNORO-TYKWCNGQSA-N", "SMILES:Cc1cccc([C@H]2CC[C@@H](N3CCN(c4cccnc4)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXICYSIZWDQOD-UHFFFAOYSA-N", "SMILES:COc1nc(-c2nc(Nc3cc(F)cc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXTYZZFIJTPPA-MKQTXCTDSA-N", "SMILES:COc1ccc(C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](OC(C)=O)[C@H](O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@@]4(O)[C@H](C)C(=O)CCC(C)C)OC[C@@H]3O)OC[C@@H](O)[C@@H]2O)cc1"], "chembl_natural_product": true}
{"name": "Oxysterol-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4523203"], "id": "UniProtKB:P22059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290106", "category": ["biolink:ChemicalEntity"], "name": "BITHIONOL", "xref": ["InChIKey:JFIOVJDNOJYLKP-UHFFFAOYSA-N", "SMILES:Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O"], "synonym": ["Bithionol", "Bithionol", "Bitionol", "Bithin", "NSC-47129", "Lorothidol"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL33846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKKDWPSOOQBWFB-UHFFFAOYSA-N", "SMILES:Oc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBPYLKSSDOEOO-UHFFFAOYSA-N", "SMILES:Oc1c(Cl)cc(Cl)c(Cl)c1Sc1c(O)c(Cl)cc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYUDNALWNUOOCC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(C2C=C(c3cccc4ccccc34)Nc3nncn32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZJCAWCKWVXSLO-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2C=C(c3cccc4ccccc34)Nc3nncn32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2095003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHIRILMXIWNDLT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(c2ccccn2)N2CCOCC2)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKLPQUCRYUIAQW-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZZSLNIZLYHEBV-FPYGCLRLSA-N", "SMILES:O=C(CCc1csc(/C=C/c2ccc(F)cc2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNRKBHUYDACFCL-YDFGWWAZSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)/C=C/c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STIQSWSUIPGZMK-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(-c2cccnc2)cc1)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYIJKZMXBBDLBU-SFQUDFHCSA-N", "SMILES:CCCCCN(CCCCC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGKJSSPDGSNLN-CMDGGOBGSA-N", "SMILES:COC(=O)c1cccc(/C=C/C(=O)c2cccc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCIYUNGVIXYJY-RUDMXATFSA-N", "SMILES:N#Cc1cccc(/C=C/C(=O)c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHKWSAXLDYCGJD-RMKNXTFCSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccncc2)cc1)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVZDKHRYOARAP-SFQUDFHCSA-N", "SMILES:CCCCCN(CCCCC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKDRZEIENXWUCE-VDIUWDQWSA-N", "SMILES:CCCCCCCCCCCCC/C=C/C(=O)N[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](C[C@@H](O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4542919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHOOZADJPNUFOQ-UHFFFAOYSA-N", "SMILES:C#CC(=O)N(c1ccc(OC)cc1OC)C(C(=O)NCC(=O)OCC)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSKNKMCQXHIRK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(c3cc(Cl)c4c(c3)COB4O)S(C)(=O)=O)c(C3CC3)cc12"]}
{"name": "Dihydroorotate dehydrogenase (quinone), mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523950"], "id": "UniProtKB:G4VFD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6183"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUMXMNYTTXIMB-UHFFFAOYSA-N", "SMILES:O=C1C(O)=C(Nc2ccccc2Cl)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240963", "category": ["biolink:ChemicalEntity"], "name": "LAWSONE", "xref": ["InChIKey:CSFWPUWCSPOLJW-UHFFFAOYSA-N", "SMILES:O=C1C=C(O)C(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL155771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBIBTBSDPZSTOE-UHFFFAOYSA-N", "SMILES:CC(C)CCC1=C(O)C(=O)c2ccccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4475385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPCSSJFKYSFEG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4301645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BASFYRLYJAZPPL-UONOGXRCSA-N", "SMILES:c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOCHXCVPYZVORD-NVMNQCDNSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(OCc3cn(Cc4ccc(Br)cc4)nn3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMYRRCKEOBXBV-MFOYZWKCSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(OCc3cn(-c4ccc(Br)cc4)nn3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QREHBNWFOKFYBG-ZDLGFXPLSA-N", "SMILES:COc1ccc(-n2cc(COc3ccc(/C=C4\\SC(=O)NC4=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QREKGPHPIGGKCE-FLIBITNWSA-N", "SMILES:C#CCOc1ccc(/C=C2\\SC(=S)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSCFURMBHMSCE-JKNDIDBPSA-N", "SMILES:C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQUAUHSICWJZGH-GCSHOIHQSA-N", "SMILES:C=CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRDZGAINBRYGQH-VZMVMXEKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583969", "category": ["biolink:ChemicalEntity"], "name": "PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER", "xref": ["InChIKey:OLCWZBFDIYXLAA-IOSLPCCCSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4551693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVXOJGFFNBQQGA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1"]}
{"name": "Bifunctional dihydrofolate reductase-thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL4296761"], "id": "UniProtKB:A0A0S4TER9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237895"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNQWTBYWOSMLZ-UWUNEBHHSA-N", "SMILES:O=C(O)C[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWXUCUCEFLFIK-UJKQEGAGSA-N", "SMILES:O=C(O)C[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)cnc5[nH]4)cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHGMJIGYHYABBL-RHNCMZPLSA-N", "SMILES:COc1ccc2[nH]c(-c3ccc(-c4ccc(O[C@H]5CC[C@@H](CC(=O)O)CC5)nc4)nc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGXLQFWLUJUKF-VCHYOVAHSA-N", "SMILES:COc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMPPJISBINPOK-BCPCFIRFSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCn2cc(COC(=O)C[C@H](O)C[C@H](O)CCn3c(-c4ccc(F)cc4)c(-c4ccccc4)c(C(=O)Nc4ccccc4)c3C(C)C)nn2)O[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORULIRKKLVENGQ-APVCVCBCSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCn2cc(COC(=O)C[C@H]3C[C@@H](CCn4c(-c5ccc(F)cc5)c(-c5ccccc5)c(C(=O)Nc5ccccc5)c4C(C)C)OC(C)(C)O3)nn2)O[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXUHSEHDIICKDN-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2nc3ccc(C#N)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSXAXQJUZYECS-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2nc3ccc(C(=O)CBr)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABZBNXFGYUSVCJ-UYMKNZQYSA-N", "SMILES:O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVINHUCTYCXXJF-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2cc(C(=O)NN)c(=O)[nH]n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGAKATOYCUJDPK-CMDGGOBGSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)O)c(/C=C/C(F)(F)F)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQCWCNYGDOACGZ-WTUSBNOYSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CCC(=O)NCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJNGNFVQLISUHI-MWWBXLFLSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNXOJVZEGIOYJM-NJUCVNEHSA-M", "SMILES:CN1/C(=C\\C=C\\C=C\\C2=[N+](CCCCCC(=O)NCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEAFUFQGOGWWOX-YVBADDSNSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/C(=O)CCCCC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWQPPBZFSGMFZ-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Oc2ccc3occc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMPLRYCRQWDBN-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Oc2ccc3[nH]ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNMXSXSPACGOJ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1Cn1c(=O)nc(-c2ccc(Cl)c(Cl)c2)c2c3c(sc21)CC(C(C)(C)C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXBFVCYLJXGOGI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(C(=O)O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1145", "category": ["biolink:ChemicalEntity"], "name": "3-HYDROXY-4-ACETYLAMINOBENZOIC ACID", "xref": ["InChIKey:WEMQDIKMQHBQIC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2403356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGZXPPPHOJKSK-UHFFFAOYSA-N", "SMILES:CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSFESQVBRKCEG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(S(=O)(=O)c2ccc(N)cc2)c(=O)n1"]}
{"name": "Replicase polyprotein 1ab", "xref": ["CHEMBL.TARGET:CHEMBL4295557"], "id": "UniProtKB:K9N7C7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1263720"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334773", "category": ["biolink:ChemicalEntity"], "name": "DIARYLPROPIONITRILE", "xref": ["InChIKey:GHZHWDWADLAOIQ-UHFFFAOYSA-N", "SMILES:N#CC(Cc1ccc(O)cc1)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4450374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDQWOUCHCYCCOZ-SNVBAGLBSA-N", "SMILES:Cc1cc(-c2cccc(N)c2)c(O)c2c1C[C@@H](C)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPGCTVBDNUVFX-SNVBAGLBSA-N", "SMILES:Cc1cc(-c2cccnc2)c(O)c2c1C[C@@H](C)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRBZNCWKFIDJL-SECBINFHSA-N", "SMILES:Cc1cc(-c2cncnc2)c(O)c2c1C[C@@H](C)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYADYWFTAATEA-LLVKDONJSA-N", "SMILES:CC[C@@H]1Cc2c(C)cc(-c3cncnc3)c(O)c2C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUGSGMMXUVQDOY-NQIIRXRSSA-N", "SMILES:Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAUTOCMTMRWGC-CCEZHUSRSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCCN(C)CCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOAMOMIKRWFTDJ-FMQUCBEESA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCN(C)CCCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127030", "category": ["biolink:ChemicalEntity"], "name": "ADAFOSBUVIR 5'-TRIPHOSPHATE", "xref": ["InChIKey:YEFGXGBFIOVTEX-MVHNUAHISA-N", "SMILES:C[C@]1(O)[C@H](n2ccc(=O)[nH]c2=O)O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O"], "synonym": ["Adafosbuvir 5'-triphosphate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPNBLHSBLCCTEO-VPCXQMTMSA-N", "SMILES:C[C@@]1(O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069349", "category": ["biolink:ChemicalEntity"], "name": "4A-TP", "xref": ["InChIKey:CQGVBTRRZXYUGC-VPCXQMTMSA-N", "SMILES:C[C@@]1(Cl)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O"], "synonym": ["4a-tp"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUIAOCHKUNGZHV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNWGNEFBMPLDGY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221390", "category": ["biolink:ChemicalEntity"], "name": "REVERSIN 121", "xref": ["InChIKey:SVNKEDMVAQBLLN-SVBPBHIXSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1092250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMAOMQUWVSXRPR-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ccnc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOTGKYTUNDYTBS-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCVTXEYTMLUPPQ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Nc3cccc(Br)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVEOYXBOCQWWQG-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPWDSAIYNFQPO-CLCNEYALSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBSRPZSUVZTJTJ-DZISDYSRSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAMJBGGTDXDZPE-XKYXEJCGSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVJPUGSXWTYBR-LMWHNAIISA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)Cc3ccc(O)cc3)[C@@H](O)[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSXZGQLSAQIVTI-XKYXEJCGSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEMPOZWVESAOCV-LMWHNAIISA-N", "SMILES:N[C@@H](Cc1ccc(O)cc1)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJIVFICFJJKOS-HUBRGWSESA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N4CCN(c5ccc(-c6ccccc6)cc5)CC4)ncnc32)[C@H](O)[C@@H]1O"]}
{"name": "Adenosine kinase", "xref": ["CHEMBL.TARGET:CHEMBL4523271"], "id": "UniProtKB:P9WID5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NACIRZNEXPMXBY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)n(-c3ccccc3Cl)c(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMAYRMFTHYLHI-UHFFFAOYSA-N", "SMILES:Cn1c(SCc2ccc(C(=O)Nc3ccccc3N)cc2)nc2cc(Br)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XENPZBJDQVYEKB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)n(C)c(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUTSCGGZWZWVHL-NTCAYCPXSA-N", "SMILES:CCn1c(SCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)nc2cc(OC)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCYYIFXENZTEHA-IEVCPYEKSA-N", "SMILES:C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/C(=O)OC[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4456422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZYJIEFDXWTJKL-UUYOSTAYSA-N", "SMILES:COc1cc(C(=O)NCCCCC/C=[N+](\\[O-])C(C)(C)C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GADZEHYMQXLAKQ-BKUYFWCQSA-N", "SMILES:COc1ccc(C(=O)NCCCCC/C=[N+](\\[O-])C(C)(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEVMMUZFAXTJOJ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2cc(C(=O)N3CCN(C(=O)C4=Cc5c(Br)cccc5S4(=O)=O)CC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPEOGOPVKUTIJQ-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(CC(=O)Nc2n[nH]c3ncccc23)CC1)Nc1n[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMLONYYHOVZFQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2ccccc2c1N1CCN(CC(=O)Nc2n[nH]c3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKZFRMNXBLFDNN-GVHKZQBISA-K", "SMILES:C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGFQXGLPJUCTOI-WYMLVPIESA-N", "SMILES:C/C(=C\\C(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRWWTEQBCPYSKQ-UHFFFAOYSA-N", "SMILES:C[n+]1c(/C=C2\\C=CN(CC(=O)NCCNCCNCCN)c3ccccc32)sc2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYAFNFSKHWAJB-UHFFFAOYSA-N", "SMILES:C[n+]1c(/C=C2\\C=CN(CC(=O)NCCCCCCN)c3ccccc32)sc2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKAUDKWLAPLRO-UHFFFAOYSA-N", "SMILES:C[n+]1c(/C=C2\\C=CN(CC(=O)NCCOCCN3CCCCC3)c3ccccc32)sc2ccccc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNIWGGQISQSTIR-UHFFFAOYSA-N", "SMILES:C[n+]1c(/C=C2\\C=CN(CC(=O)NCCOCCN3CCCC3)c3ccccc32)sc2ccccc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWEIEBUWFABVRO-UHFFFAOYSA-N", "SMILES:C[n+]1c(/C=C2\\C=CN(CC(=O)NCCN3CCCCC3)c3ccccc32)sc2ccccc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMPVNGKLWXKETG-UHFFFAOYSA-N", "SMILES:C[n+]1c(/C=C2\\C=CN(CC(=O)NCCN3CCCC3)c3ccccc32)sc2ccccc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGAOWMJHLPPPCD-UHFFFAOYSA-N", "SMILES:C[n+]1c(/C=C2\\C=CN(CC(=O)NCCCNCCCN)c3ccccc32)sc2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLGWHZLSAHKKU-UHFFFAOYSA-M", "SMILES:CN1C=C/C(=C\\c2sc3ccccc3[n+]2C)c2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJAPNWJRLLDPAB-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAXTNOTTKHUOI-UHFFFAOYSA-N", "SMILES:C[n+]1c(/C=C2\\C=CN(CC(=O)NCCCNCCCCNCCCN)c3ccccc32)sc2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYORLAGKWMLGEX-UHFFFAOYSA-N", "SMILES:Nc1nc2c(-c3ccncc3F)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVUQWXBBPWHZMV-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1c1ccc([Se][Se]c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBGUBRWUIPRJGU-UHFFFAOYSA-N", "SMILES:N#C[Se]c1ccc(NC(=O)C2C3C=CC(O3)C2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUDIWYRPBANNV-UHFFFAOYSA-N", "SMILES:C=C1C(=O)OCC1C(O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJMUYNQRYAJIB-KLISCUKASA-N", "SMILES:COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(Cl)cc3)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1559855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGYTJUILLBTDU-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3ccccc3F)co2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDKIXIWBMYDGIV-LIMNOBDPSA-N", "SMILES:Fc1ccc(/C=N/Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLDJGRHKCVIQN-ZRCCSVPJSA-N", "SMILES:CCNC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDGMAVWKKOQGY-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cc(C(C)N(C)C)cc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPGSOVFSLGWHHW-UHFFFAOYSA-N", "SMILES:CC(c1cc(O)c2ncccc2c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHGPVYUKOGMUPQ-OZPGXKQYSA-N", "SMILES:C#CC(=O)OC[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC5=C(Cl)C(=O)c6cccnc6C5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXANXODIUVKSDK-JCVUFJQVSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC6=C(Cl)C(=O)c7ccc(C)nc7C6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMXZYUEEZZVER-HKORLBMGSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC6=C(Cl)C(=O)c7ccccc7C6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCHFNNGGNLUVIH-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCCCN2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(CCCNCc2ccc(OC)c(OC)c2OC)C4=O)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHFXFRJMJUJUJA-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCCNCCCCN)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWQRHDQVSPKEAE-FXAWDEMLSA-N", "SMILES:COc1ccc(C[C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3CCCN32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLXTZMVJMYFBF-SONWIMMPSA-N", "SMILES:CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3CCCN32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUNKCVMBMIPFC-OBEKMTESSA-N", "SMILES:CSCC[C@H](N)C(=O)Oc1ccc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3CCCN32)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXZOEADMIIIHX-MAUKXSAKSA-N", "SMILES:COc1cc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3CCCN32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXJBGKWNBFPPT-DZGCQCFKSA-N", "SMILES:O=C1[C@@H]2CCCN2[C@@H](c2ccco2)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHDKOBUFWNGFY-ZWKOTPCHSA-N", "SMILES:O=C1[C@@H]2CCCN2[C@@H](Cc2ccc([N+](=O)[O-])cc2)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJCJOMKVDOIDW-DLBZAZTESA-N", "SMILES:O=C1[C@@H]2CCCN2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQRJCBPOUKHJL-DLBZAZTESA-N", "SMILES:O=C1[C@@H]2CCCN2[C@@H](c2ccc(C(F)(F)F)cc2)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWRWZMBZQKQVLF-ZWKOTPCHSA-N", "SMILES:COc1ccc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3CCCN32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTECCFPLCQOSNJ-DLBZAZTESA-N", "SMILES:O=C1[C@@H]2CCCN2[C@@H](c2ccc(Cl)cc2)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLDCUQYTVGKISH-DLBZAZTESA-N", "SMILES:O=C1[C@@H]2CCCN2[C@@H](c2ccccc2)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTVNLPVEAKXHV-ZWKOTPCHSA-N", "SMILES:O=C1[C@@H]2CCCN2[C@@H](Cc2ccccc2)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLWMFGNUIJAFJT-DLBZAZTESA-N", "SMILES:O=C1[C@@H]2CCCN2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBNDCXACJHMLCQ-VQTJNVASSA-N", "SMILES:CC(C)c1ccc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3CCCN32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZYQCOHYIQKZGJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(-c2ccc3occc3c2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXCKMVKUCTUQFN-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(-c2ccc3occc3c2)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFOOFDFRTWQAJO-UHFFFAOYSA-N", "SMILES:CCCCCCCc1cc(CCCCCC(=O)O)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPFYZBFCKCJWJR-JLHYYAGUSA-N", "SMILES:CCCCCCCC(=O)/C=C/CCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4451056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNUKMHHAQBXDMO-FMIVXFBMSA-N", "SMILES:CCCCC/C=C/C(=O)CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4463181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQYBCIHRWMPOOF-YVMONPNESA-N", "SMILES:O=C(O)/C(O)=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4446336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWCARCHYWKVNM-GHXNOFRVSA-N", "SMILES:O=C(O)/C(O)=C/c1ccc(-c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHIPGFUFHZAQMJ-LXGGSRJLSA-N", "SMILES:O=C(O)/C=C/c1ccc(/C=C(\\O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFXQWXVHKHMSIK-OZDSWYPASA-N", "SMILES:O=C(O)/C(O)=C/c1ccc(/C=C(\\O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWHQQWNHUURCGY-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC(=O)CCCOc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZMQANETXSDBD-UHFFFAOYSA-N", "SMILES:O=C(CCCOc1ccccc1)Nc1ncc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZABTGCLGYGLDD-GSPSZEOCSA-N", "SMILES:CO[C@@H]1[C@@H](OC)[C@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@@H]1[C@@H](COCc1cn(CCCCCCN[C@@H]9[C@@H](O)[C@@H](O)[C@H](O)[C@H]%10COC(=O)N%109)nn1)O2)O[C@@H]8COCc1cn(CCCCCCN[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H]8COC(=O)N82)nn1)O[C@@H]7COCc1cn(CCCCCCN[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H]7COC(=O)N72)nn1)O[C@@H]6COCc1cn(CCCCCCN[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H]6COC(=O)N62)nn1)O[C@@H]5COCc1cn(CCCCCCN[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H]5COC(=O)N52)nn1)O[C@@H]4COCc1cn(CCCCCCN[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H]4COC(=O)N42)nn1)O[C@@H]3COCc1cn(CCCCCCN[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H]3COC(=O)N32)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSQDVSJTSXTCOQ-NRKLIOEPSA-N", "SMILES:CCCc1cn(CCCCCCN[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H]3COC(=O)N32)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNMSNMQUVWJKQ-SOZWFYNMSA-N", "SMILES:COC[C@H]1O[C@@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]1[C@H](OC)[C@H]2OC)O[C@@H]8COC)O[C@@H]7COC)O[C@@H]6COC)O[C@@H]5COCc1cn(CCCCCCN[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H]5COC(=O)N52)nn1)O[C@@H]4COC)O[C@@H]3COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTATXIGHQRDGO-PDYJWUAGSA-N", "SMILES:O=C1OC[C@@H]2[C@@H](O)[C@H](O)[C@H](O)[C@@H](NCCCCCCn3cc(COC[C@H]4O[C@@H]5O[C@H]6[C@H](O)[C@@H](OCc7cn(CCCCCCN[C@@H]8[C@@H](O)[C@@H](O)[C@H](O)[C@H]9COC(=O)N98)nn7)[C@@H](O[C@H]7[C@H](O)[C@@H](OCc8cn(CCCCCCN[C@@H]9[C@@H](O)[C@@H](O)[C@H](O)[C@H]%10COC(=O)N%109)nn8)[C@@H](O[C@H]8[C@H](O)[C@@H](OCc9cn(CCCCCCN[C@@H]%10[C@@H](O)[C@@H](O)[C@H](O)[C@H]%11COC(=O)N%11%10)nn9)[C@@H](O[C@H]9[C@H](O)[C@@H](OCc%10cn(CCCCCCN[C@@H]%11[C@@H](O)[C@@H](O)[C@H](O)[C@H]%12COC(=O)N%12%11)nn%10)[C@@H](O[C@H]%10[C@H](O)[C@@H](OCc%11cn(CCCCCCN[C@@H]%12[C@@H](O)[C@@H](O)[C@H](O)[C@H]%13COC(=O)N%13%12)nn%11)[C@@H](O[C@H]%11[C@H](O)[C@@H](OCc%12cn(CCCCCCN[C@@H]%13[C@@H](O)[C@@H](O)[C@H](O)[C@H]%14COC(=O)N%14%13)nn%12)[C@@H](O[C@H]4[C@H](O)[C@H]5OCc4cn(CCCCCCN[C@@H]5[C@@H](O)[C@@H](O)[C@H](O)[C@H]%12COC(=O)N%125)nn4)O[C@@H]%11COCc4cn(CCCCCCN[C@@H]5[C@@H](O)[C@@H](O)[C@H](O)[C@H]%11COC(=O)N%115)nn4)O[C@@H]%10COCc4cn(CCCCCCN[C@@H]5[C@@H](O)[C@@H](O)[C@H](O)[C@H]%10COC(=O)N%105)nn4)O[C@@H]9COCc4cn(CCCCCCN[C@@H]5[C@@H](O)[C@@H](O)[C@H](O)[C@H]9COC(=O)N95)nn4)O[C@@H]8COCc4cn(CCCCCCN[C@@H]5[C@@H](O)[C@@H](O)[C@H](O)[C@H]8COC(=O)N85)nn4)O[C@@H]7COCc4cn(CCCCCCN[C@@H]5[C@@H](O)[C@@H](O)[C@H](O)[C@H]7COC(=O)N75)nn4)O[C@@H]6COCc4cn(CCCCCCN[C@@H]5[C@@H](O)[C@@H](O)[C@H](O)[C@H]6COC(=O)N65)nn4)nn3)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVQCEELTIIOFHE-RZGVDQIZSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZUNQXYXMFFPRC-RSSGFLRHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXEATJQGQHDURZ-DEDYPNTBSA-N", "SMILES:CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cccc(Cl)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLQPWXVZCPUGC-ZCFIWIBFSA-N", "SMILES:C[C@@H]1CCc2c(cc(Br)c(F)c2Br)N1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASNDURJGUUDPHG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(Nc2ncc3c(n2)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZUHNOYKQXXBS-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncc3c(n2)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFLPTKBAXCEKC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL71460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYCLHZPOADTVKK-UHFFFAOYSA-N", "SMILES:Nc1nc(CC(=O)O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL349005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUENRUZPZZFMCA-YFKPBYRVSA-N", "SMILES:O=C(O)C[C@@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQFCGOLHKFXDRZ-QWWZWVQMSA-N", "SMILES:C[C@H]1SC(N)=N[C@@H]1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL784", "category": ["biolink:ChemicalEntity"], "name": "IMIDAZOLE ACETIC ACID", "xref": ["InChIKey:PRJKNHOMHKJCEJ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c[nH]cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4443196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJDCCXRWVAONF-JZAWHBJUSA-N", "SMILES:Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCN(C(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYIDBPMHOBYKP-AVVXAJNHSA-N", "SMILES:Cc1nn(C)c(COc2ccc(N3CCN(C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLQDHVRMFOGBL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCN(C(C)CCC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHKNVZISLLDMOR-GQCTYLIASA-N", "SMILES:COc1cc(/C=C/C(=O)O)ccc1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4470933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUNXJIEKZPCSL-PCGIRMHASA-N", "SMILES:CCOC(=O)[C@H](C)NC(=O)/C=C/c1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2234990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVKZWDRXVAHWGP-DYLHUKMJSA-N", "SMILES:CCOC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAZBRVWBUQCWFV-KGXGESDWSA-N", "SMILES:CCOC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZVWLUAGJAFCBF-DJYGCBNOSA-N", "SMILES:CCOC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDQFUCREUXRYHV-LNENJAERSA-N", "SMILES:CCOC(=O)[C@@H](NC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWKSXLLXYZDRG-DZZUKKPASA-N", "SMILES:CCOC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNICVIDZOWYFE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTFFAWOVGRGAOA-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)C(c4ccccc4)N4Cc5ccccc5C4=O)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTRAPGXNHCSECK-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)C(c4ccccc4)N4Cc5ccccc5C4=O)cc3F)c2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCELHWDICIYHSQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)C(c4ccccc4)N4Cc5ccccc5C4=O)cc3F)c2cc1OCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUUQLALKWVVSI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(NC(=O)C(c4cc(F)ccc4F)N4Cc5ccccc5C4=O)cc3F)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFBLFFZIOZWEQ-GOIHLGPHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVRKRKUVOJMMZ-LSEAWQPOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOKPVQAEXCGMSX-XXVNAVQMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGQECSGIXPHGH-HNPVCKMWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)C1CCCCC1)[C@@H](C)CC)C1CCCCC1)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSVNHWNPZDYDTR-XCUKHADZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSVDFNDDUIRPE-LYQXDINMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZZLTDAIDRCBHD-SVDRFYTDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDWHQOGGIGQCCG-SVDRFYTDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGQECSGIXPHGH-TZZOFMFVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKKCKZWMDOZOL-VBWHYBLNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNQYCWJYQCVTFZ-MSRJVIPCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVIZBCHLMUPBD-OTPMVOJESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJYLFYCSPKVWPR-FYUFRYIWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)C1CCCCC1)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFFFYSWAMNQSHC-FYUFRYIWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)C1CCCCC1)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGQECSGIXPHGH-IIIMXCGMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQXJEGZHHOTRQI-MZFBCQGBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NC(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTJYVYNPGEMBL-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2ccc3[nH]c(-c4ccc(Cl)cc4)nc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWCUPFZRRVAXMM-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(NCc2ccc(Cl)cc2)c2nc[nH]c2n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNJOCWLCVQTVNZ-AWEZNQCLSA-N", "SMILES:C=CCCCSC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RASCFMYPAZDCKQ-JOCHJYFZSA-N", "SMILES:O=C(C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPQLRIZYCDMCIV-HMMYKYKNSA-N", "SMILES:COc1ccc(NC(=O)c2cccc(/C=C3\\CC(=O)N(c4ccc(C)cc4)C3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFZWSAJLAHLPR-AUEPDCJTSA-N", "SMILES:Clc1ccc(-c2nc3occn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKNSRDQWPLPHH-LGJNPRDNSA-N", "SMILES:Clc1ccc(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASCOKVHFCCUMDP-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)CC(=O)c2ccc(OC(F)(F)F)cc2)c1"]}
{"name": "Aryl hydrocarbon receptor", "xref": ["CHEMBL.TARGET:CHEMBL4523513"], "id": "UniProtKB:Q9YGV3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJDBXJHZOYFKR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)CC(=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWPDLOYODRQSF-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)CC(=O)c1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJCCBYXSRRSUDJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)CC(=O)c2ccccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTPYKVOMFUWBZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)CC(=O)c1ccc(OC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVEGYQQHXRADCB-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1C(=O)CC(=O)c1ccc(OC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXBSIDQPOCSMEI-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(-c2ccc(OC(C)C)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEHPKCCBUVERE-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(-c2ccc(OC(C)C)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDSJVJEOFFVMU-JLHYYAGUSA-N", "SMILES:COc1ccccc1C(=O)/C=C/c1ccc(OC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524100", "category": ["biolink:ChemicalEntity"], "name": "MALABARICONE C", "xref": ["InChIKey:HCOZRFYGIFMIEX-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O"], "chembl_natural_product": true}
{"name": "Phosphatidylcholine:ceramide cholinephosphotransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4523408"], "id": "UniProtKB:Q8VCQ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Phosphatidylcholine:ceramide cholinephosphotransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL4523444"], "id": "UniProtKB:Q9D4B1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCMEPRGSNNHNX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc3[nH]nc(C(F)(F)F)c23)cc(C2(CN)CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXZAPNVTOAXLTD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc3[nH]nc(C(F)(F)F)c23)cc(C2(CN)COC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUYNTXHKFXBOW-UHFFFAOYSA-N", "SMILES:CC(C)n1c(S)nc2c1c(=O)n(C)c(=O)n2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4590984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTDOJPCUIXALSV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL174487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRHQRTARBDMZRP-UHFFFAOYSA-N", "SMILES:Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJHBVXQDDZNKB-UHFFFAOYSA-N", "SMILES:Nc1nnc(Sc2ccc([N+](=O)[O-])c3nonc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTVGCLISWGMJMQ-UHFFFAOYSA-N", "SMILES:Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZNBPFNKLDTMFN-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1CSc1nnc(N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZJQUWHQKDUZON-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWVFFSFUSRFEL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CSc2nnc(N3CCOCC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUIVNFIHYOTMTD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CSc2nnc(N3CCNCC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWNKDVOGAIKESF-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYLVLFQKNAQIF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(CSc2nnc(N3CCOCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPVBGDGDUFYIDJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(OCCC3CCCCC3)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHVPJCVPOZYDTH-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1OCc1cc(=O)n2nc(-c3ccccc3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJLGXGSVDIAZEG-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(F)c(Cl)c2)cc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL985", "category": ["biolink:ChemicalEntity"], "name": "UREA", "xref": ["InChIKey:XSQUKJJJFZCRTK-UHFFFAOYSA-N", "SMILES:NC(N)=O"], "synonym": ["Carbamide", "Urea", "E927b", "Urea", "Urea", "Azodicarboxylic acid-diamide", "Urea", "E-927A", "INS NO.927A", "INS-927A", "NSC-34375", "Aquadrate", "Balneum plus", "Calmurid", "Eucerin", "Flexifoot", "Flexitol", "Hydromol intensive", "Nutraplus", "Sential e", "St.james balm", "Sterile urea", "Urea component of alphaderm", "Urea component of calmurid hc", "Urea component of carmol hc", "Urea component of u-cort", "Ureaphil"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1708524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHNWPSFKPHSCJ-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJOSWKSRKSLQV-DWIANQPWSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)(S)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEHPYSYDJNOLZ-YJAFQFRVSA-L", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@@H]2CO[P@@](=O)([S-])O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)([S-])O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(N)ncnc21.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEHPYSYDJNOLZ-BMXBXKRRSA-L", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@@H]2CO[P@](=O)([S-])O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)([S-])O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(N)ncnc21.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBFTHIZFTUBGY-YJAFQFRVSA-L", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@@H]2CO[P@@](=O)([S-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO[P@@](=O)([S-])O[C@@H]1[C@@H]2O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBFTHIZFTUBGY-BMXBXKRRSA-L", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@@H]2CO[P@@](=O)([S-])O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO[P@](=O)([S-])O[C@@H]1[C@@H]2O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTFZBFRTZGEDLP-LNIMXCJHSA-L", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)([S-])O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)([S-])O[C@H]2[C@H]1F)O[C@H]3n1cnc2c(N)ncnc21.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTFZBFRTZGEDLP-FTPHULSESA-L", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([S-])O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)([S-])O[C@H]2[C@H]1F)O[C@H]3n1cnc2c(N)ncnc21.[Na+].[Na+]"]}
{"name": "Stimulator of interferon genes protein", "xref": ["CHEMBL.TARGET:CHEMBL4523311"], "id": "UniProtKB:Q3TBT3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWUSPPSTINJIR-UHFFFAOYSA-N", "SMILES:CCCCc1cn(C2=CC(=O)c3cccc(O)c3C2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIOLWYIJJQBFMS-UHFFFAOYSA-N", "SMILES:O=C1C=C(n2cc(CCCCl)nn2)C(=O)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOVNJQCUHRYOI-KRWDZBQOSA-N", "SMILES:CN(C[C@H]1COc2ccccc2O1)c1nc(-c2cccnc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSLMELFHKWHXGG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1sc3ccccc3c(=O)c1n2CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYDMNUYGOJAJNS-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccc(OC)cc2c2sc3ccccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGWUGISZGTQOY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1sc3cc(Cl)ccc3c(=O)c1n2CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGKNXYVASVTIH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccc(OC)cc2c2sc3cc(Cl)ccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQZDXOMFMPOMQY-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c2ccc(Cl)cc2c2sc3cc(Cl)ccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTOOTZDSMKPUSD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccc(Cl)cc2c2sc3cc(Cl)ccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZQYCMCFDYNJTN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2cc(OC)c(OC)cc2c2sc3ccccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCAWPJUWVOYLY-UHFFFAOYSA-N", "SMILES:COc1cc2c3sc4cc(Cl)ccc4c(=O)c3n(CCN(C)C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDUBUEOXKXWQQG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2cc(OC)c(OC)cc2c2sc3cc(Cl)ccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMAQNRWXBYWGT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3c(sc2c1)c1cc(OC)c(OC)cc1n3CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSXOKHWNNUYKH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2cc(OC)c(OC)cc2c2sc3cc(OC)ccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POULYOWRCLSHGI-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c2ccccc2c2sc3ncccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPUZJAIQMGSHOE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2c2sc3ncccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLXNCJDHQWSWQW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1sc3ncccc3c(=O)c1n2CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJQMYFZALCNNG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccc(OC)cc2c2sc3ncccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICIYHBOZNUDDEC-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c2ccc(Cl)cc2c2sc3ncccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQIFQWXYPUGNNI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccc(Cl)cc2c2sc3ncccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNIDLNXPZDZMSF-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2cc(OC)c(OC)cc2c2sc3ncccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVWLOMOQOURQW-UHFFFAOYSA-N", "SMILES:COc1cc2c3sc4ccccc4c(=O)c3n(CCN(C)C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQPPWDRUTKIGJC-UHFFFAOYSA-N", "SMILES:COc1cc2c3sc4ncccc4c(=O)c3n(CCN(C)C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXLHWVBEFYFSI-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFVRQSXKUHURV-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cl)n1nc(OCCN2CCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZRROHVTKKVZEE-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cl)n1nc(OCCCN2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBMJZTPUWYWUEH-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1F)n1nc(OCCCN2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFWYWDUWRLIPEO-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1Cl)n1nc(OCCN2CCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYMRUPGZRKXYGK-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1Cl)n1nc(OCCN2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWODNPDITHQLFW-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1Cl)n1nc(OCCCN2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJMUJUCYSZCXIU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(C(=O)n2nc(OCCN3CCCCC3)c3ccccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCHDYHVJONDDU-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1OCc1ccccc1)n1nc(OCCN2CCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXIQCPHXIIJDAI-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1OCc1ccccc1)n1nc(OCCCN2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAPIDQLHVXISM-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2ccccc12)n1nc(OCCCN2CCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBIWKXLAGLALA-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2ccccc12)n1nc(OCCN2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXUZUFGQZRDDAF-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2ccccc12)n1nc(OCCCN2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBAWNFYITYAHA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccccc2c1)n1nc(OCCN2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGHKJJKBOAWWGM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccccc2c1)n1nc(OCCCN2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBLWPCBSXIKPI-RSUFIUMDSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVXGHYMKNLSQQP-PQZQEJJQSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXYKDJXBHAHRT-DMJQPPRDSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQZDNWCYDAAMM-MOBVNWGTSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANYOOSEQMUKFO-NHWMPMGMSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNWIKBXYGWSFC-KZVYWKKZSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDGYDANVNBTKMS-YITLRHEISA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAVFJQCPNPIKSQ-LCGYCUFKSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIXMILGBYMZQTC-UHFFFAOYSA-N", "SMILES:Oc1cc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)o2)c(Br)c(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHJRHPKFDUKBW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Oc2ccc(-c3cnc(-c4cc(O)c(O)c(Br)c4Br)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWNXHFJDYZGYKR-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(-c3cnc(-c4cc(O)c(O)c(Br)c4Br)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPEGVUUKCDJQOD-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Oc2ccc(-c3cnc(-c4cc(O)c(O)c(Br)c4Br)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTJCJFAEBSGOB-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc(-c3cnc(-c4cc(O)c(O)c(Br)c4Br)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGVEDLHIDTQCQ-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(N2CCN(C(=O)ON3C(=O)C4CN(C(=O)c5ccc(Oc6ccccc6)cc5)CCN4C3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEZSDBKOZYSOE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccccc2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1192435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNEHDCMTCRGIPL-UHFFFAOYSA-N", "SMILES:Cc1cc(NN)n2nc(SCc3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWJYBVQPCDNLB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ncc(C(Oc2ccc3cc(Br)ccc3c2)c2ccc(Cl)cc2)s1)c1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGXPJXLXGLUSP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROUCIZKFXDSOH-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGQCCATUQKNLPF-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFTHLQMJCVYMBB-JYRVWZFOSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNVIFCJAXUXMHF-PDGQHHTCSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(NC(=O)CCl)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXJJSKDUGJXXAV-RGEXLXHISA-N", "SMILES:C=CS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471474", "category": ["biolink:ChemicalEntity"], "name": "HYPOTHEMYCIN", "xref": ["InChIKey:SSNQAUBBJYCSMY-KNTMUCJRSA-N", "SMILES:COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)/C=C\\C[C@H](C)OC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4535740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPNYTROSLTIOA-ICUTVXMZSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCCNC(=O)COc3ccc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)cc3)c1C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZBZXABHCFXII-QQXSKIMKSA-N", "SMILES:CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCNC(=O)c3c(C)[nH]c(/C=C4\\C(=O)Nc5ccc(NC(=O)CCl)cc54)c3C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSMMUTNFGADTAR-FGAUVTDKSA-N", "SMILES:CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)NCc1cccc(I)c1)[C@@H]4C)c(C)c3C(C)OCc1cccc(C#Cc2cccc(Nc3ncnc4cc(OCCOC)c(OCCOC)cc34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMKCLPXZUGTSKW-XBCFTLRNSA-N", "SMILES:CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)NCc1cccc(C#Cc2cccc(Nc5ncnc6cc(OCCOC)c(OCCOC)cc56)c2)c1)[C@@H]4C)c(C)c3C(C)OCc1cccc([127I])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGLBLWLMXGLLNB-XIAOQBIGSA-N", "SMILES:CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3C(C)OCc1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRAHARGXSNSSO-UHFFFAOYSA-N", "SMILES:CN1CCC(CNc2cc(Cl)nn3c(-c4cc5nc(Nc6ccccc6)[nH]c5cc4F)cnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXATZKPFQCMICU-WGSAOQKQSA-N", "SMILES:O=C(CN1CCOCC1)N[C@H]1CC[C@H](Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKWOVOVDWBRGQO-XMMPIXPASA-N", "SMILES:CCOc1cc(C2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(Cc1cc(C)cs1)[C@H](CC)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQWXHRRWWPCDAJ-BRJLIKDPSA-N", "SMILES:CCc1cc(O)cc2c(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UABOZOMXYKTCLE-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEDNWJTPINJID-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NCC#N)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOWXCIOSQAVAN-UHFFFAOYSA-N", "SMILES:C#CCCNC(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMXRAAJYBUFGGU-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)NCCC#N)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBJLHIXGDWDLAU-UHFFFAOYSA-N", "SMILES:CC#CCNC(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSTFXNDJLIPCIT-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOTXRNZGDLCSR-UHFFFAOYSA-N", "SMILES:CC#CCNC(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUVOKAIDVNCJA-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEGPCVJHIPWZAU-UHFFFAOYSA-N", "SMILES:CCC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFOPSXAAUKZUCN-UHFFFAOYSA-N", "SMILES:CCCC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYZXMMFRSXUFPJ-UHFFFAOYSA-N", "SMILES:C=CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUMEZPEXDBZAP-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEIHNZYDWMRGR-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSPBHLWSQHFCKU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(n2nc(-c3cc(N4CCOCC4)n(C)n3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZAVHUAPRBYWRZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc(-c3cc(C(C)(C)O)n(C)n3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPYJCCEPJPDOB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(n2nc(-c3cc(C(C)(C)O)n(C)n3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKVLLXMYIJJTQN-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2nn(C3CCCN(C(=O)CC#N)C3)c3ncnc(N)c23)cc1C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNASRTLHHDPXCY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc(-c3cc(C=O)n(C)n3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXMDUDUQFCLOW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(n2nc(-c3cc(C=O)n(C)n3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGEOFECPAUHGIW-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)C12OC1C(=O)c1c(OC)ccc(OC)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDTVCPQPICFDNB-UHFFFAOYSA-N", "SMILES:CCCCCCCCCS(=O)(=O)C12OC1C(=O)c1c(OC)ccc(OC)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1363683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJBFCKTIWRKMQ-MCDZGGTQSA-M", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1O.[Na+]"]}
{"name": "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2", "xref": ["CHEMBL.TARGET:CHEMBL1250408"], "id": "UniProtKB:O88703", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFPUPBCJADEDM-YCSZXMBFSA-M", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQQUWDVOCJKUMP-YCSZXMBFSA-M", "SMILES:Nc1ncnc2c1cc(Br)n2[C@@H]1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRMZQATXPQOTP-GWTDSMLYSA-M", "SMILES:Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSVSLUHQZQQID-UHFFFAOYSA-N", "SMILES:C=C(Cc1cccc(C(=O)O)c1)C(=O)O"]}
{"name": "Aminodeoxyfutalosine synthase", "xref": ["CHEMBL.TARGET:CHEMBL4523327"], "id": "UniProtKB:Q5SK48", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:300852"]}
{"id": "CHEMBL.COMPOUND:CHEMBL86684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIFSWRNTGICWRI-UHFFFAOYSA-N", "SMILES:C#CCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMYOWKZLFFSTD-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CNC(=O)c2ncn3c(=O)n(C)nnc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJWHAAIYMBVMC-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCCNC(=O)c2ncn3c(=O)n(C)nnc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNPIMWLVSQZNU-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCCCCNC(=O)c2ncn3c(=O)n(C)nnc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCVVMNVUKWGRIB-IKZAVBETSA-N", "SMILES:CC(C)(C)c1cc(C(C)(C)C)c2c(c1F)COP(=O)(OC[C@H]1O[C@@H](n3cc([125I])c(=O)[nH]c3=O)C[C@@H]1OC(=O)CCCCCNC(=N)N)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPVSTWDEGVQKPN-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCCOc2ccc3ccc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKIGGIUYPBRMLG-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1F)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKGWFUYPAXESR-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCc3cc(NS(=O)(=O)C4CCCCC4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTLYQOBEAXVJCH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(Br)ccc1CN1CCc2cc(NS(=O)(=O)C3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOOQNABHIRSAHK-UHFFFAOYSA-N", "SMILES:CCCCCCC(=O)Nc1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUQRXLUBQWULPJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJZNVXWEWWVLT-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTMXYEVFULFOLR-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGUOCFTHNGPBK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255044", "category": ["biolink:ChemicalEntity"], "name": "FLUPIRTINE", "xref": ["InChIKey:JUUFBMODXQKSTD-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N"], "synonym": ["Flupirtine", "Flupirtine", "Flupirtine", "Flupirtina", "Flupirtine", "Flupirtine", "Flupirtinte", "W-2964"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4565316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNAZCKAAQNIES-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSRJDVSCYCBQK-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CREQXQAKLSEKKT-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPAIMYGNLZYSRN-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(F)cc2s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTXSYWAKVMZICI-PVCZSOGJSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(=O)O)(C(=O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1333576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHOSUUWZPGKPW-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(OC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYFPOOZLADOLC-SFTDATJTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)ccc1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAVOKBSCOSIGER-UHFFFAOYSA-N", "SMILES:CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1c1ccc(OC)cc1"]}
{"name": "Frizzled-8", "xref": ["CHEMBL.TARGET:CHEMBL4523332"], "id": "UniProtKB:Q61091", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNXYWZXRDIAXME-UHFFFAOYSA-N", "SMILES:CCCCCn1c(C)cc(=O)n2cc(-c3ccc(F)cc3)nc12"]}
{"name": "Autotaxin", "xref": ["CHEMBL.TARGET:CHEMBL3826871"], "id": "UniProtKB:Q9R1E6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBGJXBZVGMLLE-UHFFFAOYSA-N", "SMILES:CCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4482895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYBJGOVVZPBZBC-UHFFFAOYSA-N", "SMILES:CCCCCn1c(C)cc(=O)n2cc(-c3ccc(Br)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIWBKBMXPOXBJC-UHFFFAOYSA-N", "SMILES:CCCCCn1c(C)cc(=O)n2cc(-c3ccc(C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHLXYQNODPLCL-UHFFFAOYSA-N", "SMILES:CCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWTFSGLQJCWBNH-UHFFFAOYSA-N", "SMILES:CCCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIHJIEXMQHTXCC-UHFFFAOYSA-N", "SMILES:CCCCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTAGZNKWZEYEJ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JASHNGKBCWHXAO-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUOXDNQPQTUAT-UHFFFAOYSA-N", "SMILES:CCOCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBSOIHDPADWAPB-UHFFFAOYSA-N", "SMILES:CCC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXZJMYGKNKDGN-UHFFFAOYSA-N", "SMILES:CCCC1C(C(=O)Nc2cc(Cl)ccc2Cl)=C(C)NC2=C1C(=O)CCC2"]}
{"name": "Free fatty acid receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL3309101"], "id": "UniProtKB:Q3UFD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXSQQYUFBPPLD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)C(CC2CCN(C(=O)OC(C)(C)C)CC2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOFWRHWADNWKSU-LRXIOGKNSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\\C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4566561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URYLCCKXLNXSRS-NFBVUDMZSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)CCCC(C)CCCC(C)CO)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4455081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJIUWSABAIXPGI-ZLLRIDPDSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C(=O)O)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4440098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETQFSCWDMJWMM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ccn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJYZNBVXZTGOP-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2cccc(Nc3nccc(-c4ccc(Cl)cc4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUXZBWKEWMAAE-UHFFFAOYSA-N", "SMILES:COC1CCCN(c2cc(-c3ccc(Cl)cc3)nc(Nc3cccc(OCCN4CCN(C)CC4)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFMCSSETKBUSI-QFIPXVFZSA-N", "SMILES:CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFOTOLRWBQNQU-QHCPKHFHSA-N", "SMILES:CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(NCc3ccc(C(=O)NO)cc3)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWAGEFMQZLEIOL-QFIPXVFZSA-N", "SMILES:CC[C@H](Nc1cc(C)nc(N)n1)c1nc2cccc(NCc3ccc(C(=O)NO)cc3)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGBHDIHIVGYLZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFYOOFXVBCIIP-LJQANCHMSA-N", "SMILES:C[C@@](O)(C#Cc1ccc2c(c1)N(c1nc(N)ncc1Cl)CC2)c1nccs1"]}
{"name": "Mitogen-activated protein kinase kinase kinase 14", "xref": ["CHEMBL.TARGET:CHEMBL4523500"], "id": "UniProtKB:Q9WUL6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHJONSSVOHRQHD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3cc(-c4cc(OC)cc(OC)c4)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLQATKXRCYIHF-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccc3nc(-c4ccc(Br)cc4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWBWDFYBJXHFI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSTAYRGPKSHZDI-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LETMYYZWCFHZLY-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCIASUJUIGTFI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3cc(-c4ccc(OC)c(OC)c4)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSAJHHDEDXZVJP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3nc(-c4ccc(OC)cc4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYFPOSCSBIUFQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn3cc(-c4ccccc4)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNOQGKASCBAQDX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIPMVBBAKJZVIG-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc3nc(-c4ccccc4)cn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKBLHFNEUUWGTB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNHYYRIWHXMPCR-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKFLIPOBCWMKNS-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCGZALHLMOKDZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn3cc(-c4ccc(F)cc4)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDWKEBEXXTPKF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cn3cc(-c4ccc(F)cc4)ccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVKJGHXZHOGCGZ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cn3cc(-c4ccc(Cl)cc4)ccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQFACEKDJKFAIT-NUSSTLEHSA-N", "SMILES:COCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cl"]}
{"name": "Mannosyl-oligosaccharide glucosidase", "xref": ["CHEMBL.TARGET:CHEMBL4523366"], "id": "UniProtKB:Q80UM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHACZVWKWUMHRR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTDVBQNUHHYCA-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKYHXVLJMQRLQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITAQDHCJBLSSL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1"], "synonym": ["NSC-15366"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSBWHDDGWSYETA-SNAWJCMRSA-N", "SMILES:O=C(O)/C=C/c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHGKJNNJGAPCNU-BQYQJAHWSA-N", "SMILES:NCc1cccc(NS(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBGVXFKSPKPJHG-GHXLRYNMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBMBSRGWYKZRT-VADOWIHESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAOVKRUZJVNKPY-ODLSROIASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTWSRZJFYFSPX-ODLSROIASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCAQNNGYBGBCN-FBMPNZRISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSc2c(F)c(F)c(c(F)c2F)SC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFVNHGKONKHSG-KEYQCOPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSCc2cccc(c2)CSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O"]}
{"name": "L-lactate dehydrogenase A chain", "xref": ["CHEMBL.TARGET:CHEMBL4523188"], "id": "UniProtKB:P13491", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "L-lactate dehydrogenase B chain", "xref": ["CHEMBL.TARGET:CHEMBL4523187"], "id": "UniProtKB:P13490", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTRBRUZBLYKBT-HXUWFJFHSA-N", "SMILES:COc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC[C@H](O)CN4CCCCC4)c(C)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPXIEUTIPNLKC-HXUWFJFHSA-N", "SMILES:COc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC[C@H](O)CN4CCN(C)CC4)c(C)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPDINLPSRFSFN-OMUDAWCKSA-N", "SMILES:COc1cc(CCNc2nc(C#Cc3ccccc3)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQQZDDUGAUYAE-ZFGDHOEWSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)C[C@@H]1C[C@H]1c1cc(F)ccc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQQZDDUGAUYAE-OTTABGKNSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)C[C@H]1C[C@@H]1c1cc(F)ccc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLSPUQWENSFHP-LMIIKYDLSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc2ccccc2c1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLSPUQWENSFHP-BUDDBBPTSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc2ccccc2c1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUJXBDJLOIDKBO-LZAGWAHOSA-N", "SMILES:CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUJXBDJLOIDKBO-DGXMUYMBSA-N", "SMILES:CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMQTHDWBCYAAO-LMIIKYDLSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMQTHDWBCYAAO-BUDDBBPTSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLXKTRBWQHDQTI-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOC(=O)NC(Nc1c(Cl)nc(N)nc1Cl)C(Cl)(Cl)Cl"]}
{"name": "Cell division cycle protein 20 homolog", "xref": ["CHEMBL.TARGET:CHEMBL4523283"], "id": "UniProtKB:Q12834", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXHXVOGJFGTRX-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOC(=O)NC(Nc1ncccn1)C(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWPQOGWIPGPOA-UHFFFAOYSA-N", "SMILES:Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCN(C)CC4)c(=N)n(CCc4cccs4)c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPPISFVGKVPOX-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCc3cccs3)c2=N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJJKLODHZZLCN-UHFFFAOYSA-N", "SMILES:Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(CCc4cccs4)c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCDIXFPQKSSHKE-UHFFFAOYSA-N", "SMILES:Cc1cccn2c(=O)c3cc(C(=O)NCCCN4CCOCC4)c(=N)n(CCc4cccs4)c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALTVWVACTLTOSB-UHFFFAOYSA-N", "SMILES:Cc1cccn2c(=O)c3cc(C(=O)NCCCN4CCOCC4)c(=N)n(CCc4cccc(F)c4)c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMZWHRTQLNOCF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cncc(-c3cccc4[nH]ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGMYGQBFJRPLIT-QPEQYQDCSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cc(/C=C3\\SC(=N)NC3=O)cnc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGHDPPGOJJYURV-AUWJEWJLSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cncc(/C=C3\\SC(=N)NC3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMUDILUTOPVIKR-AUWJEWJLSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cncc(/C=C3\\SC(=O)NC3=O)c2)cc1"]}
{"name": "Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma", "xref": ["CHEMBL.TARGET:CHEMBL1908383"], "id": "UniProtKB:O60331", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBVZAGKNUADLH-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPGHKGCVVGSIW-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCNn1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRQULSHHDALTQA-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCNn1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHPZJHYOWTCSU-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCCCNn1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJNYIAIVHVKNLU-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCCCCCNn1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEORVLGDGGSNJB-UHFFFAOYSA-N", "SMILES:CCCCCCNn1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVHHRZCSNYWWFV-UHFFFAOYSA-N", "SMILES:CCCCCCCCNn1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STPXQIRDVXKCSC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCNn1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNNGEGCWHDMRD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNn1nnc2ccccc21"]}
{"name": "Cytochrome P450 4F12", "xref": ["CHEMBL.TARGET:CHEMBL3509589"], "id": "UniProtKB:Q9HCS2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 4Z1", "xref": ["CHEMBL.TARGET:CHEMBL4523375"], "id": "UniProtKB:Q86W10", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXYZJXCNTMMWEO-BERHBOFZSA-N", "SMILES:CCCN(CC[C@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZPAMUWUHDPDA-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUWFECDLDOKNV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc(-c3ccc(N4CCN(C)CC4)cc3)c2C)cc(F)c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIWTUJFFSTVYPW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc(-c3ccc(N4CCN(C(C)C)CC4)cc3)c2C)cc(F)c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPQGOEWSQSKKFQ-CALCHBBNSA-N", "SMILES:COc1cc(-c2cncc(-c3ccc(N4C[C@@H](C)N(C)[C@@H](C)C4)cc3)c2C)cc(F)c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVQMLWSKYAVFY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL303579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHLRJGDELITAF-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHDNAZPEMYUNO-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(-c2c(F)cccc2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITJQCZIUBPLXKZ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKTDDKKTCGVQOO-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXDPQGRNHSLZPC-ZJNRKIDTSA-N", "SMILES:CNC(=O)C[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLPVEBXXYUUIS-JLHYYAGUSA-N", "SMILES:COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFILWQMENLVEBA-MZJWZYIUSA-N", "SMILES:N#Cc1ccc(/C=N/NC(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPJJYGXABPYHI-ZVHZXABRSA-N", "SMILES:CCCCC/C=N/NC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLAOQRUQTQMZLX-FSJBWODESA-N", "SMILES:O=C(N/N=C/c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPUKEPQYKBOHH-JOCHJYFZSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)C[C@H](N(C)c3cncnc3)C4)cc(C(F)(F)F)c2)cn1"]}
{"name": "Epithelial discoidin domain-containing receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4523274"], "id": "UniProtKB:Q03146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQICRMPSNHDWIP-UHFFFAOYSA-N", "SMILES:Cn1c2ccc(-c3cccc(C(=N)N)c3)cc2c2cc(-c3cccc(C(=N)N)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQBQVIYTMIQRL-JTQLQIEISA-N", "SMILES:CN(O)C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQBQVIYTMIQRL-SNVBAGLBSA-N", "SMILES:CN(O)C(=O)CS[C@H](c1ccccc1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHIXFHBBTZCTR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(Nc4ncc(F)c(-c5cc(F)c6nc(C)n(C(C)C)c6c5)n4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBAWCWPKRGFKA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccccc3F)c3c2CCS(=O)(=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDBPSMFJVTWLGA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccccc3Cl)c3c2CCS(=O)(=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMADYVHIUYPPF-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(C3CC3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANEFXBGBVGMDMB-JAIQZWGSSA-N", "SMILES:Fc1ccc(NC(=S)N/N=C\\c2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXKHOPACIGXNNR-JAIQZWGSSA-N", "SMILES:S=C(N/N=C\\c1ccnc2ccccc12)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTKYOKIXECSCKZ-UCQKPKSFSA-N", "SMILES:S=C(N/N=C\\c1ccnc2ccccc12)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXBGZHOODQDFX-JAIQZWGSSA-N", "SMILES:S=C(N/N=C\\c1ccnc2ccccc12)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLYCVXCDJINOG-NDENLUEZSA-N", "SMILES:COc1ccc(NC(=S)N/N=C\\c2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGPVJCBQUQNCU-YVLHZVERSA-N", "SMILES:C=CCNC(=S)N/N=C\\c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHBXQZPRCRUTF-UNOMPAQXSA-N", "SMILES:S=C(N/N=C\\c1ccnc2ccccc12)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBRSIWLOLALCU-BKUYFWCQSA-N", "SMILES:CCc1ccc(NC(=S)N/N=C\\c2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQZQWXQMHXWCP-HMAPJEAMSA-N", "SMILES:S=C(NCCc1ccccc1)N/N=C\\c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFUSUKQJTZBFX-GRSHGNNSSA-N", "SMILES:S=C(N/N=C\\c1ccnc2ccccc12)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNQQRJATKQEJSN-ODLFYWEKSA-N", "SMILES:O=[N+]([O-])c1ccc(NC(=S)N/N=C\\c2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQHBPPZIKPGDKH-NDENLUEZSA-N", "SMILES:Cc1ccc(NC(=S)N/N=C\\c2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXZXTAWEQHXRQ-SNAWJCMRSA-N", "SMILES:O=C(Oc1ccc(/C=C/c2cccc(OC(=O)c3cc(O)c(O)c(O)c3)c2)cc1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTVKNSOPWKEFO-OWOJBTEDSA-N", "SMILES:O=C(Oc1ccc(/C=C/c2ccc(OC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJGFXHJEQDQOM-SFHVURJKSA-N", "SMILES:O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3ccccc3n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVNOHKPHOZTQU-UHFFFAOYSA-N", "SMILES:Nc1ccc2oc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKWBZVQFPCVHI-UHFFFAOYSA-N", "SMILES:CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(NS(C)(=O)=O)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMCLOHXDDPMAMI-PTMIQZKSSA-N", "SMILES:CC(C)C(=O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4453043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJPDSNHJSJSLEW-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXVCJZOSNTZOU-ZJNRKIDTSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ncn2c1CCc1cc(C(F)(F)F)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNDOGVVRBJVRJ-AREMUKBSSA-N", "SMILES:C#CCN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(F)cc3)c(S(=O)(=O)F)c2)cc1S(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGNJNXHCQAHBJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(F)cc2)c(S(=O)(=O)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUYMWSJEWWYFW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(F)cc2S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUMWOYAWXJJMIV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(F)c(S(=O)(=O)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYJRGBEUYVCKY-AREMUKBSSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)c(S(=O)(=O)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBRUDUWSFUAEBM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXDXAUOKFYVERK-ZMOGYAJESA-N", "SMILES:CCC(Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOTYXFQWOQXIT-UDWIEESQSA-N", "SMILES:CCC(Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEXIKOBXIPCAHQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C1=NCCCN1C(=S)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STEYNPOIAMHHEV-UHFFFAOYSA-N", "SMILES:S=C1Sc2cccc(I)c2C2=NCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOTIQYGBONSIAZ-UHFFFAOYSA-N", "SMILES:S=C1Sc2cccc(Cl)c2C2=NCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZIZEDNFZLTFGR-UHFFFAOYSA-N", "SMILES:S=C1Sc2ccc(Br)cc2C2=NCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFITWNAPYZYNY-PXNMLYILSA-N", "SMILES:Cc1ccc(N/N=C(\\C(=O)O)C(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGEYLZWUJAEXSI-AWEZNQCLSA-N", "SMILES:CN(Cc1cc2c(=O)[nH]c(N)nc2[nH]1)C(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUDPRADHAQHKH-JTQLQIEISA-N", "SMILES:CN(Cc1cc2c(=O)[nH]c(N)nc2[nH]1)C(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USQPAKVVEZCLDM-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(N)c(-c2cccc(Cl)c2)c(CCc2ccccc2OCCCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMYZQKXWRFICJI-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCC1(C)CC(=O)c2cc(O)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMLKWBJWHBWVSM-UHFFFAOYSA-N", "SMILES:CC(O)CCC1(C)CC(=O)c2cc(O)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMPZGSYOSBHBU-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2c(c1)C(=O)CC(C)(CCC(C)OC(C)=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMNCXFOSJYBZRW-UHFFFAOYSA-N", "SMILES:CC(C)(O)CCC1(C)CC(=O)c2cc(O)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKVFPDJBJSCQZ-UHFFFAOYSA-N", "SMILES:C=C(C)CCC1(C)CCc2cc(O)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLWHJAXTYKFDH-UHFFFAOYSA-N", "SMILES:CC1(CCC(=O)O)CCc2cc(O)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJLWVHSNYRAQRX-UHFFFAOYSA-N", "SMILES:COC(=O)CCC1(C)CCc2cc(O)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBMCTCBFUYCARK-UHFFFAOYSA-N", "SMILES:CCCCCC1(C)CC(=O)c2c(ccc(O)c2Cl)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYBZXQXGXRJKA-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCN(C)C)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLSAMULUPHHMM-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCN(C)C)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGWPWMKIGSCNA-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCN(C)C)c2ccc(Cl)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPUIILTBWPQMY-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(CCN(C)C)c2ccc(Cl)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBBYOOWWGOFBHD-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCN(C)C)c2ccc(C)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNZMAFVFOMKHPS-LBPRGKRZSA-N", "SMILES:COc1c([C@H](C)Nc2ncnc(N)c2C#N)cc(Cl)c(C)c1-c1cncc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLKCQNBHXXLCHY-AAEUAGOBSA-N", "SMILES:COc1c([C@H](C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C#N)c1C1CN(C[C@H](C)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGSHUCAVVQZLX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCN(c2cn[nH]c(=O)c2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYFNYNPQSUXBGV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVNXOABVWEYIY-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(Nc2nc(Nc3ccccc3C(=O)NC)c3cc[nH]c3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCHSPYQBYVKMQM-UHFFFAOYSA-N", "SMILES:CC#CC(=O)NCc1ccc(Nc2nc(Nc3ccccc3C(=O)NC)c3cc[nH]c3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXFAUXQZWJGCJ-ROUUACIJSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1"]}
{"name": "Prolyl endopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL4935"], "id": "UniProtKB:Q9QUR6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZFCJGOBVFLFB-HNNXBMFYSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)CNC(=O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWXYEHCNQAKZBX-INIZCTEOSA-N", "SMILES:CN(CC(=O)N1CCC[C@H]1C#N)C(=O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRRUOTAOJPJOKB-FQEVSTJZSA-N", "SMILES:COc1nc(Nc2cc(S(C)(=O)=O)ccc2N[C@@H](c2cccc(Cl)c2F)c2ncccc2F)nc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQAVPPWWLLVGFK-VTNASVEKSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYDMTVFQVMOIH-FNNAEHFOSA-N", "SMILES:Cc1ccc(CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)CN2CCCCCC2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONVNUBAXWAHVEF-WNVKXBHVSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDASSGXBXGRBS-CKJXQJPGSA-N", "SMILES:C[C@]1(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)c2cccc(=O)[nH]2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUSGRHVYDQLHR-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(nc1C#N)-c1cc(F)c(F)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWWIHVYVDAXCT-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(nc1C#N)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLRKZJEQXTCAM-VWLOTQADSA-N", "SMILES:C[C@](O)(Cn1ccc2cc(F)c(-c3ccccc3)cc21)C(=O)Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFSAYQVTXBMPRF-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1ccc2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNQATINAZOHLAP-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1ccc2c(F)cccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXLICZXDMCRBT-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1ccc2ccc(F)cc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBCFXQHDXSGME-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1ccc2c(F)cccc21)C(=O)Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMBWDQRVIOVFN-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1ccc2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQASAPDXYUWSDF-IBGZPJMESA-N", "SMILES:C[C@](O)(CN1CCc2c(F)cccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDWVAGOOHNQHQ-IBGZPJMESA-N", "SMILES:C[C@](O)(CN1CCc2cc(Cl)c(F)cc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRXNAOIEUJQDHS-UHFFFAOYSA-N", "SMILES:CC(C)Sc1nnnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDPBEVKFHCFGQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1[nH]c(C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1604561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVPTYIIHLFPZDT-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccc2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPIRRZKLHFLLE-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZFDNOZCKYECPK-UHFFFAOYSA-N", "SMILES:C1=NC2NC=NC2C(SCc2ccccc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLNSNUXSAHJEP-BQYQJAHWSA-N", "SMILES:COc1ccc2c(c1)-c1n[nH]c(/C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBDIOLGOBLOSQF-VOTSOKGWSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2[nH]nc3c2Cc2cc(OC)c(OC)cc2-3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZRZUOBXLRMLD-VOTSOKGWSA-N", "SMILES:COc1cc2c(cc1OC)-c1n[nH]c(/C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEOWTGPWHLSLOG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C4CC4)c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLFVZUKOKPJRH-UHFFFAOYSA-N", "SMILES:CC(CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGUFPVMOAZQNZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(C(=O)N/N=C3/C(=O)Nc4c(C)cccc43)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMQFLLLVMCZQP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(NS(C)(=O)=O)cc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPMYXWRALVVIDV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(N(S(=O)(=O)c4ccccc4)S(=O)(=O)c4ccccc4)cc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHBHHAKSCKVYCJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CSc2n[nH]c(-c3ccccc3O)n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIUMXULORVBWLL-WXWAHJOQSA-N", "SMILES:O=C1/C(=C\\C=C\\c2ccco2)SC(=S)N1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1494303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGUWRHRHRBXFE-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C(=O)CN3CCN(C(=O)c4ccco4)CC3)c(C)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZABWFZXICLSWBV-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2c[nH]cc2-c2ccc3ccccc3c2)n2ccnc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNHSKQRFNGHRAM-UHFFFAOYSA-N", "SMILES:Cn1cc(C(c2ccc(Cl)cc2)n2ccnc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPKHNVKVKJZQJG-UHFFFAOYSA-N", "SMILES:C=CCn1cc(C(c2ccc(Cl)cc2)n2ccnc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYGZUDPMZOMYKX-UHFFFAOYSA-N", "SMILES:Clc1ccc(-n2ccc(C(c3ccc(Cl)cc3Cl)n3ccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPXRCUVTZDXVHY-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(C(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cnn(CCCCCCC(=O)NO)c4n3)cc2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VREKGOHYUPVQSX-NFOZGECASA-N", "SMILES:CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDUKXMVLMXYCW-ZNLUXHQJSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O"]}
{"name": "Carboxypeptidase A1", "xref": ["CHEMBL.TARGET:CHEMBL2088"], "id": "UniProtKB:P15085", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVHVYMIMBVNKN-YQGUEOHTSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(C(=C\\C=C2\\N(CCCCS(=O)(=O)O)c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc4c3C2(C)C)/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)cc1)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O"]}
{"name": "Mast cell carboxypeptidase A", "xref": ["CHEMBL.TARGET:CHEMBL2645"], "id": "UniProtKB:P15088", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTFKUDGYRBSAL-UHFFFAOYSA-N", "SMILES:C1COCCOCCOCCOCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQZRZQVBFHBHL-UHFFFAOYSA-N", "SMILES:C1COCCOCCOCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1354221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFQYJVLOPVAPGJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL155379", "category": ["biolink:ChemicalEntity"], "name": "ICOSAHYDRODIBENZO[B,K][1,4,7,10,13,16]HEXAOXACYCLOOCTADECINE", "xref": ["InChIKey:BBGKDYHZQOSNMU-UHFFFAOYSA-N", "SMILES:C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSFHXKRFDFROER-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)OCCOCCOCCOCCOCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCCOVNIEZUEOK-SFHVURJKSA-N", "SMILES:COc1cc2c(cc1OCCCC(=O)Nc1ccc3occc3c1)N=C[C@@H]1CCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVSAQZMZALPBKI-SFHVURJKSA-N", "SMILES:CCOc1ccc(NC(=O)CCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTPHPDJZBSBHT-KRWDZBQOSA-N", "SMILES:COc1ccc(NC(=O)CCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMBKCCUEPCVIB-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1OCCCC(=O)Nc1ccc(O)cc1)N=C[C@@H]1CCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWNNLGIIBZCUIM-KRWDZBQOSA-N", "SMILES:COc1cc2c(cc1OCCCC(=O)Nc1ccccc1)N=C[C@@H]1CCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKSZRAOIZNDWME-QFIPXVFZSA-N", "SMILES:COC(=O)c1cc(NC(=O)c2cc3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)ccc3o2)cn1C"]}
{"name": "Transcription factor RelB", "xref": ["CHEMBL.TARGET:CHEMBL4523273"], "id": "UniProtKB:Q01201", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUECFCSRZKSRJF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIQIDNGQSNUJD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJUPOUIAXBNDS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1621959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLHSEDBIJMFOC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSIVPPUDXPGPA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL86889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRZPKOGAMULBM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N=C(S)NC1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLULCMFZZNMDQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEFCYFWWYEQPB-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=S)NC1c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOIMUUBLILODJY-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1cccc(O)c1O)OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAAMCRCSDBCHED-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXIEBKMKZEPRK-VAWYXSNFSA-N", "SMILES:O=C(/C=C/c1cccc(O)c1O)OCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVVZBAHSYINRD-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)OCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJAHNBYZHXLEFB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQTTXADHIKDUOM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2c[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJQFPTYHVNSAO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cc(Cl)c(OCCCCCCCOc2c(Cl)cc(Nc3ccccc3C(=O)O)cc2Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKUAGFDBTUEHS-MCZOLVINSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](CCCCN)NC(=O)CCCCn1cc(CN(Cc2cn(CCCCC(=O)N[C@H](CCCCN)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)O)C(C)C)C(C)C)nn2)Cc2cn(CCCCC(=O)N[C@H](CCCCN)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)O)C(C)C)C(C)C)nn2)nn1)C(C)C)C(C)C)C(=O)N[C@H](CN[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)O)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMLJJZYMPZGBS-UEUNBRMZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTVCCLZSPKLRB-NRGGWPRRSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRQCUOUHNYIEH-AWEZNQCLSA-N", "SMILES:C#CCOc1ccc(N2C(=O)[C@H](C)N(Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRXQKGLBTVAKSC-LBPRGKRZSA-N", "SMILES:C[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEXXCOSVBSDBQV-NSHDSACASA-N", "SMILES:C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGAVVINOTWELT-UHFFFAOYSA-N", "SMILES:C#CC(=O)Nc1ccc(-n2nc(CCC(=O)NC)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1"]}
{"name": "Alpha-enolase", "xref": ["CHEMBL.TARGET:CHEMBL3298"], "id": "UniProtKB:P06733", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphoenolpyruvate carboxykinase [GTP], mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3096"], "id": "UniProtKB:Q16822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Malonate--CoA ligase ACSF3, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523315"], "id": "UniProtKB:Q4G176", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPOSIGCFZMVDD-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1-c1cc3cc(C(=O)O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHWAFMUGPZBZHB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(C)nnc2-c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHRIDKDAONJZLF-QGZVFWFLSA-N", "SMILES:Cc1ccc(-n2c(C)nnc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRASMEQGOOPKTF-OAQYLSRUSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHJWGNVANCBLC-OAQYLSRUSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N(C)CCN(C)C)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCVYHIHRLZXFNV-BHIFYINESA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNCUZCCSCWZQHW-JOCHJYFZSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCCN(C)CC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATAVDDXBOFYKRJ-ZUOMXFFYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CC4CCC(C3)N4C)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCUCYOFKEIECOK-ZUOMXFFYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3C4CCC3CN(C)C4)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPUYUWAXSWCZMI-FPSALIRRSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCN4CCCC4C3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKJHFHALRYZXCS-HXUWFJFHSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTZKZLVPUPHDA-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2cn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQREOJIRFCRKQ-ZIBKGDFVSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBKNGLNTEHKHIJ-ZIBKGDFVSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)COCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZNQYGJYZGRFA-BYAIKGAQSA-N", "SMILES:CN[C@@H](C)C(=O)NC(Cc1cc(C)c(C(F)(F)F)cc1F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(OS(=O)(=O)F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVERFLKIJOIKPE-HXGJMTJLSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(OS(=O)(=O)F)cccc21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQAMTZUVRFRJCZ-VMMYIZNOSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2393053", "category": ["biolink:ChemicalEntity"], "name": "3-ANHYDRO-6-EPI-OPHIOBOLIN A", "xref": ["InChIKey:MDYSLOGZXCWLSL-MUKMEUIDSA-N", "SMILES:CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@H]4/C(C=O)=C\\C[C@H]32)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4444942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDLAODQMNWTCL-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccccc2)oc2cc3ccccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOFVVWXUGBCAL-UHFFFAOYSA-M", "SMILES:O=c1c(O)c(-c2ccccc2)oc2cc3c(S(=O)(=O)[O-])cccc3cc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOCMJUXJUBZFSJ-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNHTXUTHLHINR-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL422334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDJZPTLAQVDZMH-UHFFFAOYSA-N", "SMILES:COC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL147830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTLEDHRAMPSGK-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIYUXHADMUQBAS-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC2(c3ccc(Cl)cc3)CC2C1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROKAKGMAWJNFEN-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXQUOFVDYCOSEZ-TYABSZSSSA-N", "SMILES:O=C(CCCN1[C@@H]2CC[C@H]1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPRISPDLYSDTL-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CCCC#Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFNEHFCHRJYQM-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CCC#Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVOLYBMYFVKTGP-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CC#Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQMHUVUFIHZNDA-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CCCCCc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTBBOIYRZHAFIN-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWJUFRDAWDELNC-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CCCc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHAINUKVRVYIQ-UHFFFAOYSA-N", "SMILES:O=C(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXMVHSMHFPGKE-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTZOWCVPOQNSNK-UWJYYQICSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CC[C@H]2C[C@H]2c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTZOWCVPOQNSNK-LAUBAEHRSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CC[C@H]2C[C@@H]2c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBHHEQBMOYWRH-IWQZZHSRSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CC/C=C\\c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBHHEQBMOYWRH-HNQUOIGGSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CC/C=C/c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPTSMZMSIACDAD-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTGRXMIFIZGBG-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYBCDHWKUBJDW-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363548", "category": ["biolink:ChemicalEntity"], "name": "CHLOROHALOPERIDOL", "xref": ["InChIKey:QETRGFJTEVVJTC-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKFKUPQFLVBHA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACWQOQSFTNXQMA-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUNECSACYSNSK-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLPCBJRLMCWJQ-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPIIZOPNVNZCV-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4482896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDWHBNHNQEUKW-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYZEGFDNOILKJ-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIOLKUHVCXIDFL-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHKHQKTAJUAJL-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVMQMKGIVIILI-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCQEDRUDXVNFY-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccccc2-c2ccccc2Cl)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFPJEPCZSJPQC-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSJWHLQITDTDHF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUGGMNXTBZFFDM-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104700", "category": ["biolink:ChemicalEntity"], "name": "MOPERONE", "xref": ["InChIKey:AGAHNABIDCTLHW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1"], "synonym": ["Moperone", "Moperone", "Moperona", "Moperone hydrochloride", "R 1658"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFFZKPQSVTBAY-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IROBXMJJTSKRFQ-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NURQFGFJWUREMG-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJHGQNPJVJPIQZ-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2c(Cl)cccc2Cl)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEJCRLZCGDBNPH-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2cc(Cl)ccc2Cl)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNSUSUUGKHFOR-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAJAPWHTZWZLBT-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URKFGKZMXFFFIT-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccccc2Cl)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUPVFQPRMPPAD-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2cccc(Cl)c2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRKSTGPKAQGBDD-GGPTZFPQSA-N", "SMILES:NC(=O)c1cccc(C#C[C@@H](CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXCWGDIRPWXDDZ-QZOAIXELSA-N", "SMILES:NCCC[C@H](C#Cc1cccc(C(N)=O)c1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XREWKDYNNWFFFK-KSBQOTSRSA-N", "SMILES:NC(=O)c1cccc(C#C[C@@H](CC[C@H](N)C(N)=O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARFVNKCYONGGF-HMINOLKYSA-N", "SMILES:NC(=O)NCC[C@H](C#Cc1cccc(C(N)=O)c1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOLACACERSOEF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(N3CCCC3)n2)cc1NC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSFTIULMCSKFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVORIRQJEXMEMW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOFNLKMMMPIGAA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cncc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIALKPATQULIZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccnc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMQFBYHEPPDPY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBAIWNFMSBLJKG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1csc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAMUJCWHKNRBBI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVGSKXEQWTCIY-CABCVRRESA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVGSKXEQWTCIY-GJZGRUSLSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDEZOSMGCNCJRV-MRXNPFEDSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCCN(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBHHFXDEUBMSN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVLUFCBAFYCDJS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccc(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIRXGLNJESDGTF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(F)cc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZSXNAYGNWSMQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMRPWLAKLYLHU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccc(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFHOVXSDPXLQV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLULDLCUJJCASL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(Cl)c(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOCMFZFOPJMOP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cc(Cl)cc(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTOUHYAOSUGTN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZPVSNAFBBHJI-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHGBKPHPXFGNP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKTQZDMWJNJLCQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNBCDSUCDVCHG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQCQINFBHHBADJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVGDXINQGCGOW-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHJQNKTWHOYQV-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHPPZAWNFVROC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccnc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWTUJQYVLQBWRL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccncc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMSHJVQPNQVCO-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OC)C(=O)C=C)cc1"]}
{"name": "NLR family CARD domain-containing protein 4", "xref": ["CHEMBL.TARGET:CHEMBL4295841"], "id": "UniProtKB:Q3UP24", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Interferon-inducible protein AIM2", "xref": ["CHEMBL.TARGET:CHEMBL4295911"], "id": "UniProtKB:Q91VJ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJLUWRJYNKUFKX-OBXKABKQSA-N", "SMILES:Nc1nc(-c2cccnc2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1471153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBBICQPTZBHLBM-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1cnc2ccccc2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4474814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXDGGLWENCEDV-MUGJNUQGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPSVMQMLOGQBG-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACIPMRHPGKKMKH-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRMSEJLPYCPEI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N(Cc3ccccn3)Cc3ccccn3)ncn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKGVRLKMSOBAN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N(Cc3ccccn3)Cc3ccccn3)nc(N)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXFMWNESIFCEA-VURMDHGXSA-N", "SMILES:CNC(=O)C(=O)NCCCC/C=C\\CCCCCCCCCc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184412", "category": ["biolink:ChemicalEntity"], "name": "DRONEDARONE", "xref": ["InChIKey:ZQTNQVWKHCQYLQ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"], "synonym": ["Dronedarone", "Dronedarone", "Dronedarona", "Dronedarone", "Dronedarone", "SR-33589", "SR33589"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1213492", "category": ["biolink:ChemicalEntity"], "name": "GIVINOSTAT", "xref": ["InChIKey:YALNUENQHAQXEA-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1"], "synonym": ["Givinostat", "Givinostat", "Givinostat", "ITF 2357", "ITF-2357", "ITF2357", "Givinostat"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4537736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GURICKSYAGJIOY-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2ccc(C(=O)NO)cc2)nnc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJVLFQKWJCAML-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(F)c(Cn2nnc(-c3ncccn3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHBOAIADGXZNHD-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nnn(Cc3c(F)cc(C(=O)NO)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTPLUQBNXJBGQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nnc(Sc3c(F)cc(C(=O)NO)cc3F)n2C)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFUGFWWXDWPEQE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2nnnc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSUMKTAJMGOPCF-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2c(F)cc(C(=O)NO)cc2F)nnc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVIGMGRUSRSDGB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(F)c(Cn2nnc(-c3ccco3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVTRXZVFBYYIOA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(F)c(Cc2nnc(-c3ccncc3)s2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRCGOUXRYSTNI-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2c(F)cc(C(=O)NO)cc2F)nnc1-c1ncccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPXQKCEJHRCRK-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2c(F)cc(C(=O)NO)cc2F)nnc1-c1cccc(CN2CCCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZAMPYVEQBIWBI-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2c(F)cc(C(=O)NO)cc2F)nnc1-c1cccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWDFIFQOBDOLA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C2CC2)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFKMWXIJANJZQK-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(O)c(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(C2CC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJKTQGNFJGAOA-UHFFFAOYSA-N", "SMILES:N#CC1(c2cc(NS(=O)(=O)c3cc(Br)ccc3O)c(O)c(C(=O)O)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVNNFNZYVCGPJF-UHFFFAOYSA-N", "SMILES:N#CC1(c2cc(NS(=O)(=O)c3cc(Br)cc(Cl)c3O)c(O)c(C(=O)O)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQBJFOHGUHFHE-UHFFFAOYSA-N", "SMILES:N#CC1(c2cc(NS(=O)(=O)c3cc(Br)cc(Cl)c3O)c(O)c(C(=O)O)c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREJJQUEKVRFCU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVPZGFQMOJVHEN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(O)c(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(C2CC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZWKKNFRGLKJW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(S(F)(F)(F)(F)F)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUCCYVBZDQUMB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C2(C#N)CCC2)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COYGYHFILXAMSQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C2(C#N)CCC2)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZNGPIYBXOUDK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C2(C#N)CCCCC2)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMNYWAGZZMQKRG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTVYUDUOQSWCQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(S(F)(F)(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNDBCXTZMGFDN-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)cc(S(C)(=O)=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGIHPKRHJNELFY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C2(C#N)CCC2)cc(NS(=O)(=O)c2cc(Br)ccc2OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVHOOKABEVVVMP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)cc3cccnc23)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHBUKXZMCITBQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C2(C#N)CCC2)cc(NS(=O)(=O)c2cc(Br)cc3cccnc23)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPZWZZBXOFMHX-IBGZPJMESA-N", "SMILES:O=C(NCc1cc(F)cc(F)c1)[C@@]1(O)CCN(c2cnc3[nH]ccc3c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUWDBIIUHKNYHJ-WGQQHEPDSA-N", "SMILES:Nc1ncnc2c1nc(NCc1ccc(Cl)cc1)n2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISMHZZWSUVFLTE-KSFYIVLOSA-N", "SMILES:Cc1nnc([C@]23CCCC(C)(C)[C@@H]2CC(=O)C2=C3C(=O)C(=O)C(C(C)C)=C2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBRDFTFPGMWCKQ-FKCANTEZSA-N", "SMILES:CC(C)C1=CC2=C(C(=O)C1=O)[C@@]1(c3nnc([C@H](C)NC(=O)OC(C)(C)C)o3)CCCC(C)(C)[C@@H]1CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXTVPUIIHKZBM-MHECFPHRSA-N", "SMILES:CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)NCCN(C)C)CCCC(C)(C)[C@@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATYUYECWVYSPBS-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506661", "category": ["biolink:ChemicalEntity"], "name": "ILLUDALIC ACID", "xref": ["InChIKey:BDEDPKFUFGCVCJ-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(O)c(C=O)c3c(c2C1)C(=O)OC(O)C3"], "chembl_natural_product": true}
{"name": "Receptor-type tyrosine-protein phosphatase mu", "xref": ["CHEMBL.TARGET:CHEMBL4661"], "id": "UniProtKB:P28827", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLIQJUDZQZWIQ-UHFFFAOYSA-N", "SMILES:COc1c(C=O)c2c(c3c1CC(C)(C)C3)C(=O)OC(O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIXVXRRHPHWRQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(=O)c2ccc(O)cc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4459695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLDBDDHAKELKL-DDHJSBNISA-N", "SMILES:C=C(CO)[C@H]1CC=C2CC[C@@H](O)[C@H](C)[C@@]2(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARPBESLVVNUNI-SMDDNHRTSA-N", "SMILES:C=C(CO)c1ccc([C@@H](C)C[C@@H](O)CO)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1972926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYPAIRTXRKKHG-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)[nH]c2c1C(=O)c1c(C)cc(=O)n(C)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4548481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHDYLBMXLXCKE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRIPPWABYROTJJ-GQCTYLIASA-N", "SMILES:CC1=CCC(C/C=C/C(=O)O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTTDVYCKFQYVNN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccco3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJOYIWNOPWKBEU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)cc(-c3ccco3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDCVUXNZVWFSQP-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cc(-c3ccc(C(N)=O)cc3)cc(-c3ccco3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAZDUINQCOMQO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc(-c4ccc(C(N)=O)cc4)cc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSGBIPLBUREAP-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccco3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMKPCDSMGOUNNT-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3ccco3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZASYOQOMLBQVGX-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nc(-c3ccco3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCBKDXOJWQLIW-ADUILBNFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O"]}
{"name": "Disabled homolog 2-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL4523330"], "id": "UniProtKB:Q5VWQ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNGZQASNPMGREV-AFMNPUBXSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1380684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKYZYDSNJIOXRL-ZOWNYOTGSA-N", "SMILES:CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1344136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLCRHOHOXICIB-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2ccccc2-c2nnc(S)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRYRVXUPYDAHEP-UHFFFAOYSA-J", "SMILES:O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2[nH]c3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2c1.[Na+].[Na+].[Na+].[Na+]"]}
{"name": "Dual specificity protein phosphatase 5", "xref": ["CHEMBL.TARGET:CHEMBL1250380"], "id": "UniProtKB:Q16690", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHVAHCQOBQJQA-UHFFFAOYSA-L", "SMILES:O=S(=O)([O-])c1cc(O)c2c(S(=O)(=O)[O-])cccc2c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFERTAMKCSJRNQ-UHFFFAOYSA-F", "SMILES:Cc1ccc(C(=O)Nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1535331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPUHORIUXPQCHW-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFTZZRFCMOAFCR-UHFFFAOYSA-N", "SMILES:CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBDVEYSPMQRWAN-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(SCc2cccc(C(=O)O)c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQPMIKRRDOTCOC-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccs2)nc(SCc2cccc(C(=O)O)c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1867438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDSLBVSSOQSLW-UHFFFAOYSA-N", "SMILES:CCCCC(CC)COC(=O)c1ccccc1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4576027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJIMBOWSQAUTPA-JNJJWWNZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(C)C)C(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAMGIBJKRMGTNC-ZAFJSCNQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALMXFSCVCSNJL-AXYVJCSHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQKBLPSGYQEYBO-XZTDTALJSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHVIYXXYVVINA-JEGJEBSDSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALAZHZUTPHNFH-GRIWMLOOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKHKYMCVRSGGQU-OUOQDSPZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBZHOWHQUXELJ-JFOWEYPISA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRDPARGKUXGXTR-NXHPEVHUSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOXDQZLWBJBOF-DWYKJBGSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOEYRKAREQKEEQ-ODFXREGESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOXUMFZEDHHYLT-FRLVEGNGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFUSZZOTRYBAO-KURIBQHXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSRIJTPFUQOSCE-RANFGBHUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(P)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSKIWYBEOYSYHV-BNCLPOJTSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRYNMNVDGOSTLL-SVNFMNAASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJEREIDHQFKIAK-VFDILTRFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOJJESDSNHWJW-SRNXEQGZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXOCRJYXGNDJAV-BWYMENNZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZKNUODANVMBEJ-APPHLVLCSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIKMDEYBWKMQOC-LNHGWCEMSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHFHMZQEPSKJK-UFTYMTJGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDIWVQHXELUSAZ-JPIQHIDNSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTSUWWZAPSDIMR-VGFPQHJISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWQVMMZUGQBII-LYEJNFMISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)C(C)C"]}
{"name": "Dickkopf WNT-signaling pathway inhibitor 1", "synonym": ["Dickkopf WNT signaling pathway inhibitor 1"], "xref": ["CHEMBL.TARGET:CHEMBL4523111"], "id": "UniProtKB:A6I0Z0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMIZBCVEHSUUNO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc2c([N+](=O)[O-])cccc2c1O"]}
{"name": "DNA replication ATP-dependent helicase/nuclease DNA2", "xref": ["CHEMBL.TARGET:CHEMBL4523236"], "id": "UniProtKB:P51530", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKCHRVBPVVZHZ-UHFFFAOYSA-N", "SMILES:N#CCCn1ncc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMKPMNCTOIDCN-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=C2C(=O)COC2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIHAGYLZSGAJKK-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)c2ccc(NCNC(CSSCC(NCNc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)C(=O)O)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOIZYPBCJHYLN-YVMONPNESA-N", "SMILES:N=C1NC(=O)/C(=C/c2ccc(N)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOWSXWDXCBUJCF-UHFFFAOYSA-N", "SMILES:Cn1nc(COc2cccc(F)c2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSKXVULCIYOPZ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(-c2cc(S(=O)(=O)NC3CCCc4ccccc43)c(C)s2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYQJQVBUVAELZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc[nH]c1=O"]}
{"name": "Nicotinate phosphoribosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4523354"], "id": "UniProtKB:Q6XQN6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZKSGKSPPAVFA-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCOCC2)cc(N2CCC(c3cc(CC(=O)O)[nH]n3)CC2)n1"]}
{"name": "Cytosolic purine 5'-nucleotidase", "xref": ["CHEMBL.TARGET:CHEMBL3708197"], "id": "UniProtKB:P49902", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTKMSDFYSZZIO-UHFFFAOYSA-N", "SMILES:Nc1nc2c(c(NCCc3csc(N)n3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSIOGQDNASJWIX-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCCc2csc(N)n2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJWGIWDOVLEOEM-UHFFFAOYSA-N", "SMILES:CCc1c(C)nc(N)nc1NCCc1csc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSWQNPILSHWQX-UHFFFAOYSA-N", "SMILES:Nc1nc2c(c(N3CCc4nc(N)sc4C3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIWIKBGIYGADG-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N2CCCOC(CN3CCOCC3)C2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFWGEIXKPPCCME-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCC(c3cc(CC(=O)O)n[nH]3)CC2)cc(-n2cccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUDHQACIMVEBA-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCC(c3cc(CC(=O)O)n[nH]3)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256178", "category": ["biolink:ChemicalEntity"], "name": "4-AMINOETHYLBENZENESULFONYL FLUORIDE HYDROCHLORIDE", "xref": ["InChIKey:WRDABNWSWOHGMS-UHFFFAOYSA-N", "SMILES:Cl.NCCc1ccc(S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUPOISKEBNQLRH-NYDCQLBNSA-N", "SMILES:O=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]12Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNLVHYOIHPORM-SHUZPENHSA-N", "SMILES:O=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]12Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHNYJLJQOULQZ-NYDCQLBNSA-N", "SMILES:NCCOCCOCCNC(=O)CN1Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]2(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IASCIILUGQFXMN-WNOXWKSXSA-N", "SMILES:CCN(CC(=O)NCCNC(=O)CN1Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]2(Cc2ccccc2)C1=O)C(=O)CCC1(C)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXVPHMAWVYMOQL-UHFFFAOYSA-N", "SMILES:COc1ncc(S(=O)(=O)Nc2cncc(Cl)c2O)cc1Br"]}
{"name": "Protein S100-A9", "xref": ["CHEMBL.TARGET:CHEMBL4296265"], "id": "UniProtKB:P06702", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGUUPQXRZGZTC-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1"]}
{"name": "Cytosolic carboxypeptidase 2", "xref": ["CHEMBL.TARGET:CHEMBL3886062"], "id": "UniProtKB:Q5U5Z8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNAHWPKIIHDRM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Sc2ccc(F)cc2CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXCGQCBRYGELKE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)cnc1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIRQHQPEMOCPI-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cnc1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSNIFHABSVFRH-LFIBNONCSA-N", "SMILES:O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1"]}
{"name": "Ectonucleoside triphosphate diphosphohydrolase 5", "xref": ["CHEMBL.TARGET:CHEMBL4523501"], "id": "UniProtKB:Q9WUZ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULXDKAZKBPOBX-XKZIYDEJSA-N", "SMILES:COc1ccccc1/C=N\\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJIBUAAPPAVSB-DHDCSXOGSA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEDVWEPQEGSNAP-AUWJEWJLSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYMPRRCQYFFJGO-LICLKQGHSA-N", "SMILES:O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRAFEKNCSDWHFX-AUWJEWJLSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIADUBHGOBZQQW-QGOAFFKASA-N", "SMILES:O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKVOTCZZFNCLP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)NC(N1CCOCC1)C(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYAKUFKQFGBSPP-FOWTUZBSSA-N", "SMILES:O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWUSGWBAJJMFR-VXPUYCOJSA-N", "SMILES:O=C(CN1C(=O)/C(=C2\\SC(N3CCOCC3)=NC2=O)c2ccccc21)Nc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSXQQLZAOSYGW-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFESQQVBZPAHPN-VOMDNODZSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)CCC/C1=C\\c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKZWPQIFUIJAX-BOPFTXTBSA-N", "SMILES:O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJIYMRRAYULCDS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMAYXGKHHXJXNE-LDADJPATSA-N", "SMILES:CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHUJUZMMNHEFPO-UHFFFAOYSA-N", "SMILES:Cc1cc(I)cc2c1NC(c1ccc([N+](=O)[O-])cc1)C1CC=CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRTXGQIRTUIELX-SFQUDFHCSA-N", "SMILES:O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMPIRIBTNKPIS-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2430366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWTVIGFQSHBAW-AQTBWJFISA-N", "SMILES:O=C1/C(=C/c2ccco2)C(=O)N(c2ccc(Br)cc2)C(=S)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAEHIOKHCKMQGG-CPNJWEJPSA-N", "SMILES:COc1ccc(-n2cccc2/C=C2\\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSNWHTDMYCBWSC-GZTJUZNOSA-N", "SMILES:O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMHKWODFWRCDT-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2ccc(-c3ccc(I)cc3)o2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUHJXFBHFIALW-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLXGNVDQCVFKS-UDWIEESQSA-N", "SMILES:Cc1cc(/C=C2\\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1608153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANBUMOGSYDQGMP-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc2ccccc2c1)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVXXHIGDGPOLF-UHFFFAOYSA-N", "SMILES:N#CC1=C(c2ccco2)CC(c2ccccc2)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXPYGNONZIEIP-FNUYTPMSSA-N", "SMILES:N=C1S/C(=C\\c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTBLAUYFYQRGO-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCLXRCRODUBBK-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(Nc3nc(O)c(CCC(C)C)c(=O)[nH]3)nc(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDBXWSNQISNTCA-PDGQHHTCSA-N", "SMILES:CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKAPBJOQBYASHJ-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4556653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOVORCLTHQFVFU-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)N1CCN(c2ccccc2)CC1"]}
{"name": "Nucleoside diphosphate phosphatase ENTPD5", "xref": ["CHEMBL.TARGET:CHEMBL4523151"], "id": "UniProtKB:O75356", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJLHZICTJPRMD-LCUIJRPUSA-N", "SMILES:CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cccc4ccccc34)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXAPPNYETDBOIB-RGVLZGJSSA-N", "SMILES:O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCFMVHYPBVJGBW-HFTWOUSFSA-N", "SMILES:NC(=O)c1cc2cc(Br)ccc2o/c1=N\\c1cc(C(F)(F)F)ccc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETAHXYTPZCNBG-UHFFFAOYSA-N", "SMILES:O=C(O)C1=CC(C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201322", "category": ["biolink:ChemicalEntity"], "name": "THONZONIUM", "xref": ["InChIKey:IOYZYMQFUSNATM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1"], "synonym": ["Thonzonium cation", "Thonzonium ion", "Tonzonium"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4549399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVMPSQAPIZZBLP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARTDKNOKUCUDET-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2094874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRFJTICBMUXDH-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2ccc3cccnc3c2O)c2sccc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284733", "category": ["biolink:ChemicalEntity"], "name": "DICLAZURIL", "xref": ["InChIKey:ZSZFUDFOPOMEET-UHFFFAOYSA-N", "SMILES:N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl"], "synonym": ["Diclazuril", "Diclazuril", "Diclazurilo", "Clinacox", "Diclazuril for veterinary use", "Nuoqiu", "Vecoxan", "NSC-759642", "P-64433", "R-64-433", "R-64433", "R64,433", "Diclazuril"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4537793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDVYRNFRUFPEHL-UHFFFAOYSA-N", "SMILES:Nc1nc(SCc2nnc(Nc3ccccc3)s2)nc2sc3c(c12)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTYJKGZZICJIV-FOWTUZBSSA-N", "SMILES:O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRAHKBXEADANO-CPNJWEJPSA-N", "SMILES:COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARYGXQSEHZQHMK-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIXZSZZWKQJGLE-UHFFFAOYSA-N", "SMILES:O=C(C(c1ccccc1)c1ccccc1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOCXCCDBHUKQD-UHFFFAOYSA-N", "SMILES:O=C(CCl)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(Cl)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVEHDJSOKNCPOW-FIFLTTCUSA-N", "SMILES:O=C(/C=C/c1ccco1)/C=C/c1ccc(-c2ccc(Br)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2095133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZZUHXFECHOWNN-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFUPCXIFCXCVHA-NDENLUEZSA-N", "SMILES:CCOc1cc(/C=C2\\SC(=S)NC2=O)cc(Br)c1OCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXUWTPIPBYJGP-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2c1c(-c1ccccc1)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMBOCLHKVXZMI-ODLFYWEKSA-N", "SMILES:Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDIMKXHDDJJSQO-UYRXBGFRSA-N", "SMILES:O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHMNYLJEEJVCRA-FNORWQNLSA-N", "SMILES:Cc1ccc(/C=C/C(=O)Nc2nc3ccc(Cl)cc3s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVBWOFLIRUAGFZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc2cccnc12)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPZPZZUMVEWER-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(F)(F)F)cc1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDWWCEBVRGGBMB-UHFFFAOYSA-N", "SMILES:Cc1ccc2ncc(C(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccc4c(c3)OCO4)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVOJHQPRPHHCG-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2N=c3c(-c4ccco4)nnc(-c4nc5ccccc5s4)c3=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBMANFNITWUMHM-ZRDIBKRKSA-N", "SMILES:O=C1C=C/C(=C\\NNc2nc(-c3ccccc3)c(CC(=O)O)s2)C(O)=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCQUBMCIQPMHEO-GZTJUZNOSA-N", "SMILES:O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHJYIROIXKYIMS-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZZJCBZYOXLCT-GZTJUZNOSA-N", "SMILES:COC(=O)Cn1c(/C=C2\\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJSMBWHIZAMDF-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)NC(SCC(=O)c2cc3ccccc3oc2=O)=C(C#N)C1=C1C=CC(=O)C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFNCODJKNFTOU-UHFFFAOYSA-N", "SMILES:C=C[S+]([O-])c1sc(Cl)c(N2CCN(c3c(Cl)sc([S+]([O-])C=C)c3[N+](=O)[O-])CC2)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMUZYZXSXAEAKM-SXGWCWSVSA-N", "SMILES:CCc1ccc(NC2=NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJEGDQCORKFUSN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NCc2ccco2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKNQMHFYABSIO-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUADQDYGYUHNSC-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2c(ccc3ccccc32)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SILCIYAAUKQBQS-MTJSOVHGSA-N", "SMILES:O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLFIKCNKNUIQIE-UHFFFAOYSA-N", "SMILES:Cn1cc(C(c2ccc(O)c(O)c2O)c2cn(C)c3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBNSXNOBAGHMK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYDZWGFDTXUKG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOUQEOVPRWXMF-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(C(F)(F)F)c1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJVVKQMWJMKFID-LDADJPATSA-N", "SMILES:C#CCn1cc(/C=C2\\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1760184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMXJOEXRGXKABC-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccccc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMXYPRVNUXRRC-YVLHZVERSA-N", "SMILES:O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL421215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UORKIKBNUWJNJF-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2c1ccc1c2ccc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZVVREKAIMVMID-YPKPFQOOSA-N", "SMILES:O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSBBIUMQTYQSLT-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(C2C3CC=CC3c3cc([N+](=O)[O-])cc4c3N2CC2CC=CC42)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWDKFDJEOMVZHP-RGVLZGJSSA-N", "SMILES:Cc1cc(/C=C2\\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVVUVQWCGNEHZ-UHFFFAOYSA-N", "SMILES:S=C(NCc1ccccc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USNHEGOFXRUJPK-CPNJWEJPSA-N", "SMILES:COc1ccc(-n2cccc2/C=C2\\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1408081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACQCEMDDWKFKH-WQRHYEAKSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(/C=C3\\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXNXZPMWNMQTP-YVLHZVERSA-N", "SMILES:O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPKXLEFIBHBPKU-MLPAPPSSSA-N", "SMILES:O=C1/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCSKQZZQYBJDJ-KGENOOAVSA-N", "SMILES:COc1cccc(/C=c2/sc3n(c2=O)C(c2cccs2)C2=C(N=3)c3ccccc3CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRWSHBRZOJBAJ-XDHOZWIPSA-N", "SMILES:CC(=O)c1ccc(-c2ccc(/C=C3\\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBEMCMYKJZSLBF-UHFFFAOYSA-N", "SMILES:CCc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4cc([N+](=O)[O-])cc5cc([N+](=O)[O-])cc(c45)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPBVXSTUGBIAF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1465119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPWDYMIFMREHLR-AQTBWJFISA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPFDSXAEKKAGQ-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2ccc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHRIOPOZXPDDI-WJDWOHSUSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNFOXWSSRJMIZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccc5c(c4)OCO5)sc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMHOADREOBOGDA-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1482899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFVVPLHCJKTSKS-UHFFFAOYSA-N", "SMILES:CCC(C)(C)C1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGEJQLBTZOJZEI-ZROIWOOFSA-N", "SMILES:O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLADWLCXBCSSBJ-VGOFMYFVSA-N", "SMILES:Cc1ccc(N2C(=O)/C(=C/c3cc(Br)cc(I)c3O)C(=O)NC2=S)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTOXNVXRMPKNML-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2ccc(-c3ccc(C=C4C(=O)NC(=S)NC4=O)o3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWPLCKAJYHEBE-BOPFTXTBSA-N", "SMILES:O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\\c1ccc(-c2ccccc2C(=O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQMUAWHLLSXXHM-YZKDSCDESA-N", "SMILES:CN(C)c1ccc(/C=C(\\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHNVZNDICOTEC-KGENOOAVSA-N", "SMILES:COc1ccc(-n2cccc2/C=C2\\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLQMTQEYWGCCO-YRNVUSSQSA-N", "SMILES:O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(I)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGKTBJNHOCAGT-TYILLQQXSA-N", "SMILES:COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46469", "category": ["biolink:ChemicalEntity"], "name": "ANTHRALIN", "xref": ["InChIKey:NUZWLKWWNNJHPT-UHFFFAOYSA-N", "SMILES:O=C1c2c(O)cccc2Cc2cccc(O)c21"], "synonym": ["Dithranol", "Dithranol", "Dithranol", "Ditranol", "Anthralin", "Anthraderm", "Anthralin", "Batidrol", "Batridol", "Chrysodermol", "Cignolin", "Cigthranol", "Derobin", "Dithranol", "Psodadrate", "Psoriacid-stift", "Psoriacide", "NSC-43970", "NSC-629313", "Alphodith", "Anthra-derm", "Antraderm", "Dithrocream", "Dithrocream fte", "Dithrocream hp", "Drithocreme", "Drithoscalp", "Lasan", "Micanol", "Psoradrate", "Psorin", "Psorin fte", "Stie-lasan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4557880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXMZSSIDMULFK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)C1C=CCC1C(c1ccc(Br)cc1)N2)N1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454893", "category": ["biolink:ChemicalEntity"], "name": "AMBUNOL", "xref": ["InChIKey:WUXCIWVRVOPALZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1349033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHGVAMOKZSJHSM-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)c2ccco2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXCEXTVEKUUFC-LICLKQGHSA-N", "SMILES:O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTAOFKRWUQGPT-CPNJWEJPSA-N", "SMILES:COCCNC(=O)Cn1cc(/C=C2\\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPGOHARTAODFPS-NVQSTNCTSA-N", "SMILES:O=C(O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGBVQNBSVIAIO-NTEUORMPSA-N", "SMILES:COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4482887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEVZVNWWWPIYHH-FXBPXSCXSA-N", "SMILES:N#CC1=C(N)n2c(s/c(=C\\c3cc(Br)ccc3O)c2=O)=C(C#N)C1c1cc(Br)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHRHKINCTWRLJB-LCYFTJDESA-N", "SMILES:NC1=C/C(=C2\\Nc3cc(N)ccc3S2)C(=O)C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBJFVBYSAMOWKW-SXQDKWFCSA-N", "SMILES:COc1cc(-c2ccc(/C=C3\\SC(=N)N(c4nccs4)C3=O)o2)c(OC)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYHHODWMNSBWMC-UHFFFAOYSA-N", "SMILES:COc1cc(C2Nc3cccc4cccc(c34)N2)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHIMYWCOUTUTPD-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1455287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTOWMDGBSPZAN-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N(C)C1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKZHAZVIJJIWCC-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2c1NC(c1ccc([N+](=O)[O-])cc1)C1CC=CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXOMXYPTONAMJH-UHFFFAOYSA-N", "SMILES:Cc1nn2cc(-c3ccccc3)cc2c2c(C)n(C)c(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYCGPVTIZZJEE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C1C=CCC1C(c1ccc([N+](=O)[O-])cc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTCKMVDGIBNRAU-VQHVLOKHSA-N", "SMILES:CCN1C(=O)/C(=C/c2cccn2C)C(=O)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAVIEKHNXCLRPT-YVLHZVERSA-N", "SMILES:O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXFPVCPLOGQHI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDGWXFVTONOKW-BUVRLJJBSA-N", "SMILES:O=C(Cn1cc(/C=C2\\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZEOYHBYPRVYNK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc3nc(SCc4c(C)noc4C)n(-c4ccccc4)c(=O)c23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL532750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYJDHYQQMTZXGV-YDCWOTKKSA-N", "SMILES:N=C1NC(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])o2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRHRIXOKQSCKNC-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)C(C#N)(C#N)C(c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C2CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHLTVSSWZNQFDY-NTMALXAHSA-N", "SMILES:C=CCN1C(=O)/C(=C\\c2cccn2C)C(=O)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEOPIJQAIPZVJH-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FONORACXZHOVFN-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHFTQNFFXFQGJ-UHFFFAOYSA-N", "SMILES:C=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKZAHBTXRSFEOE-NFLXFJMZSA-N", "SMILES:COc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFYWRDMNWMLGTL-ATVHPVEESA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUCQDHZGPVWLJE-XYOKQWHBSA-N", "SMILES:O=C1S/C(=C/c2ccco2)C(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTNZSCUAZNKJMI-UHFFFAOYSA-N", "SMILES:O=C(Nc1nonc1NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1sc2cc(Cl)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSMSAZUYLGEKPG-QGOAFFKASA-N", "SMILES:O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYGZCJMJAKLHKI-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCOCC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUUKDUDJTFXMKU-XDHOZWIPSA-N", "SMILES:CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUCGDOTKZCEQE-UHFFFAOYSA-N", "SMILES:C=CCN(CC(=O)Nc1cc(C)on1)C(=O)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUWINCJZUREPCY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2ccccc2c1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHDBXRGIKGMDBT-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4445140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQWCUKWRYJVJE-YDIMBITNSA-N", "SMILES:O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWOSHOAHHIHRM-SXGWCWSVSA-N", "SMILES:Cc1ccc(C2=C/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWYGQPSLZVNHI-ZSOIEALJSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOMIQXOOFREEL-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXYUSHWJZSSNB-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccco2)nc(-c2ccco2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHKEVPZSOLSIF-HWKANZROSA-N", "SMILES:COc1cc(-c2ccc(/C=C/c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)c(OC)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRZWIBNKTGINHK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2cn3c(CCN(Cc4ccco4)S(=O)(=O)c4ccc5ccccc5c4)csc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL581270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXDVTVOGPHHHOU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=O)c3cccs3)ccc1-2)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSAQHXIQUFLXCF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(NC(=O)c3cccs3)cc2)cc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHSBXXPINTVKRS-JBZDNPHWSA-N", "SMILES:O=C1/C(=C\\C=C\\c2ccco2)SC(=S)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAIQMHYNSRRQAB-XLNRJJMWSA-N", "SMILES:O=C1C=Cc2ccccc2/C1=C/NNC(=O)C(O)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSEJUXAYIHUUCJ-LZYBPNLTSA-N", "SMILES:N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)NC2=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHLYIAIWVWMDB-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKAJFOSUVZZLS-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(CSc2nnnn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCQCTYYVWXQJH-LICLKQGHSA-N", "SMILES:COC(=O)Cn1cc(/C=C2\\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNTVTEDLBOBUSF-RAXLEYEMSA-N", "SMILES:O=C1C=CC(Br)=C/C1=C/NNC(=O)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNAFOJHNXRPUGO-UHFFFAOYSA-N", "SMILES:O=C1N=C2C=CC(I)=CC2C1NNc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRKDEABVIQHIQU-UHFFFAOYSA-N", "SMILES:COC(=O)Oc1cc2oc(=O)sc2cc1Cl"]}
{"name": "Cullin-4A", "xref": ["CHEMBL.TARGET:CHEMBL4523312"], "id": "UniProtKB:Q3TCH7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPOGSMFVGKIQW-UHFFFAOYSA-N", "SMILES:CCOC(=O)Oc1cc2oc(=O)sc2cc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4462527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPDRRYSTVRFGO-UHFFFAOYSA-N", "SMILES:CCOC(=O)Oc1cc2oc(=O)sc2cc1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4585473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYQQSYWHCMOSP-UHFFFAOYSA-N", "SMILES:CCOC(=O)Oc1c(Cl)cc2oc(=O)sc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQVSVBRSYCUBMZ-UHFFFAOYSA-N", "SMILES:O=c1oc2c(Br)c(O)c(Br)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEAYTMBRNRHJQO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1532407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTTDRMWFWJDYJL-UHFFFAOYSA-N", "SMILES:N#Cc1c(S)nc2c(c1-c1ccco1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1540912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVCIQZKVLKGZAG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C#N)c(S)nc3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVCOHNMMGJPQE-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)SC(N)=C(C#N)C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDJPLGSMCQRMT-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)SC(N)=C(C#N)C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIJZMMYXPAJDKB-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)SC(N)=C(C#N)C1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1516871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCGKIDMJUFUJZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(S)n2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFXUSIDQGLGNJ-UHFFFAOYSA-N", "SMILES:CC(C)c1nnc(S)n1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXFZQSSGQJMKC-UHFFFAOYSA-N", "SMILES:Sc1nnc(C2CC2)n1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGVMSWNPMWWYRF-UHFFFAOYSA-N", "SMILES:CC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYVXYRYVCLESX-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(c(N3CCNCC3)[nH]c(=S)c2C#N)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRZZCSXOCJYUDB-UHFFFAOYSA-N", "SMILES:COc1cc(Br)c([N+](=O)[O-])nc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKLLFRGXGSWZEC-UHFFFAOYSA-N", "SMILES:COc1nsc(I)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGXLQZHNKWSID-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(Cl)ncnc1N1CCCCC1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQUYHKZXOMPKE-UHFFFAOYSA-N", "SMILES:Clc1ccc2nc(Cl)c3nnnn3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPHYPFZPWGGDT-UHFFFAOYSA-N", "SMILES:COC(=O)c1sc(=S)n(-c2ccc(F)cc2F)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL96712", "category": ["biolink:ChemicalEntity"], "name": "NEU5AC2EN", "xref": ["InChIKey:JINJZWSZQKHCIP-UFGQHTETSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3185084", "category": ["biolink:ChemicalEntity"], "name": "SUCRALOSE", "xref": ["InChIKey:BAQAVOSOZGMPRM-QBMZZYIRSA-N", "SMILES:OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl"], "synonym": ["1',4',6'-trichloro-galactosucrose", "4,1',6'-trichlorogalactosucrose", "Aspasvit", "San sweet sa 8020", "Sansweet su 100", "Splenda", "Sucralose", "Sucrazit", "Trichlorogalactosucrose", "E-955", "INS NO.955", "INS-955", "NSC-759272"], "chembl_natural_product": true}
{"name": "Taste receptor type 2 member 31", "xref": ["CHEMBL.TARGET:CHEMBL2034804"], "id": "UniProtKB:P59538", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEZJDVYDSZTRFS-RMPHRYRLSA-N", "SMILES:OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "Taste receptor type 2 member 16", "xref": ["CHEMBL.TARGET:CHEMBL3309106"], "id": "UniProtKB:Q9NYV7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHPCSSGTQNSJN-FOMNRLOISA-N", "SMILES:C/C1=C\\C[C@H](O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1"], "chembl_natural_product": true}
{"name": "Taste receptor type 2 member 4", "xref": ["CHEMBL.TARGET:CHEMBL3309107"], "id": "UniProtKB:Q9NYW5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 2 member 7", "xref": ["CHEMBL.TARGET:CHEMBL4523472"], "id": "UniProtKB:Q9NYW3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAOQYXNUSDEVJK-HLSJUQRUSA-N", "SMILES:C/C1=C\\C[C@H](O)[C@@H](C)C[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1"], "chembl_natural_product": true}
{"name": "Taste receptor type 2 member 10", "xref": ["CHEMBL.TARGET:CHEMBL3559704"], "id": "UniProtKB:Q9NYW0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 2 member 38", "xref": ["CHEMBL.TARGET:CHEMBL4523248"], "id": "UniProtKB:P59533", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 2 member 46", "xref": ["CHEMBL.TARGET:CHEMBL4523253"], "id": "UniProtKB:P59540", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 2 member 5", "xref": ["CHEMBL.TARGET:CHEMBL4523473"], "id": "UniProtKB:Q9NYW4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 2 member 30", "xref": ["CHEMBL.TARGET:CHEMBL4523254"], "id": "UniProtKB:P59541", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 2 member 40", "xref": ["CHEMBL.TARGET:CHEMBL4523250"], "id": "UniProtKB:P59535", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Taste receptor type 2 member 43", "xref": ["CHEMBL.TARGET:CHEMBL4523251"], "id": "UniProtKB:P59537", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDYNAXRKXFKHLN-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPXSVRLIZNYEU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2ncc3c(NCCc4ccccc4)ncnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPMJOXQJUGJPG-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(Cl)ccc2N(CCc2nnn[nH]2)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHIUSGPZUATLF-UHFFFAOYSA-N", "SMILES:Cc1sc(-n2cccc2)c(C(=O)NCc2ccc(Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIWCHWGNONICJI-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYUGZZVMKOSRGA-GXDHUFHOSA-N", "SMILES:O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGBPDNLDRSOUMM-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(S(=O)(=O)NC(=O)CCN2c3ccc(N=[N+]=[N-])cc3C3(CCCCC3)c3cc(N=[N+]=[N-])ccc32)cc1"]}
{"name": "Potassium channel subfamily K member 4", "xref": ["CHEMBL.TARGET:CHEMBL3714486"], "id": "UniProtKB:Q9NYG8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501756", "category": ["biolink:ChemicalEntity"], "name": "BRUCINE", "xref": ["InChIKey:RRKTZKIUPZVBMF-IBTVXLQLSA-N", "SMILES:COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"], "synonym": ["10,11-dimethoxystrychnine", "2,3-dimethoxystrychnine", "Brucinum", "NSC-757797"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4441334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRYOCPXWGGVGM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2cc(C(=O)O)c3nc(C)[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCFIWWZBEUXLJM-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJRLWOOMYJFTMN-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)ccc2c(C(=O)O)cc(-c3cccnc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBUOPFPKQVKKNW-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSAVUSBSPAOMAJ-UHFFFAOYSA-N", "SMILES:O=C(O)COc1cc(OCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVAXUAIZKLJWSB-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1422005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDZNHPYAZSXRTI-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1nn(Cc2nc(-c3ccc(C)cc3)cs2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFPMVLVIYVAFSP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(Cn3nc(CC4OCCCO4)c4ccccc4c3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHFXQKCTUFMCKK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(Cn3nc(CC4OCC(=O)O4)c4ccccc4c3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAZUDPJIKJRORR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(Cn3nc(CC(=O)O)c4ccccc4c3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGUMJNIORKTJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(Cn3nc(Cc4nccs4)c4ccccc4c3=O)n2)cc1"]}
{"name": "Fibrinogen C domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4523397"], "id": "UniProtKB:Q8N539", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBCTMGFGIFKTC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)COC(=O)c2cc(C)ccc2O)cc1"]}
{"name": "Krueppel-like factor 10", "xref": ["CHEMBL.TARGET:CHEMBL4523155"], "id": "UniProtKB:O89091", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYQLIDOCLBDSSV-UHFFFAOYSA-N", "SMILES:Cc1sc2nc(SCC(=O)c3ccc(O)c(O)c3)nc(C)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOBGWTOQZALQPG-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)c2cc(C)c(O)cc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4587045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAAKEJBSOKSMGL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncccc1F)c1cnc(CCNCCc2nc3ccccc3[nH]2)o1"]}
{"name": "Ferroportin", "xref": ["CHEMBL.TARGET:CHEMBL4523462"], "id": "UniProtKB:Q9JHI9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWXAZLSRZBXPX-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.O=C(NCc1ncccc1F)c1csc(CCNCc2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHYTJOKRUPNFX-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.Cl.O=C(NCc1ncccc1F)c1cnn(CCNCCc2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTXILJLLHQQBLU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncccc1F)c1csc(CCNCCc2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQAATKKBPYRLU-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.O=C(NCc1ncccc1F)c1coc(CCNCc2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475199", "category": ["biolink:ChemicalEntity"], "name": "VAMIFEPORT HYDROCHLORIDE", "xref": ["InChIKey:ZBVCLZMNYXJVMV-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3ccccc3[nH]2)n1"], "synonym": ["Vamifeport trihydrochloride", "VIT-2763 3HCl", "VIT-2763 trihydrochloride", "VIT-2763-PM1 TRIHYDROCHLORIDE", "Vamifeport hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFLZLILDKTIQV-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.Cl.O=C(NCc1ncccc1F)c1coc(CCN(CCc2nc3ccccc3[nH]2)CCc2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHHORLBKGYNPFZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncccc1F)c1csc(CCN(CCc2nc3ccccc3[nH]2)CCc2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUBVKDGFRAMGO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncccc1F)c1cnn(C2CN(CCc3nc4ccccc4[nH]3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUJSRZEXITIKM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncccc1F)c1coc(C2CN(CCc3nc4ccccc4[nH]3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTLOIXAONSAVNQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(Cl)cccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYMHIEVZUVUCIE-NTDAHTPMSA-N", "SMILES:CCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWKKRSCYIEPRG-WWPCIRQWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUFOBIUFQMAPTN-BLDSMTOWSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDZZVKOWHXCDQ-TYABKBPTSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMHIEJGESHSTNA-CCJZDAQRSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWPJTIPGDNOCAX-YPCJUQCTSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZPGLHVGLBXKO-SAZOSJMBSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZMHOOLRZLVNNV-GVDBOOJYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDZZJBXEMXKSFO-WSPBDHOTSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXOCLJVFMTWWSN-WKBLGKNZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(C)=O)C(C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKFGJGMQAJRNI-SNHXFXMVSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHAPYIUJRGHUAN-VSTXZXSASA-N", "SMILES:CCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOHPRPGTCONCBT-BIRWCAQUSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPOROQQAZBJPRW-IFTIOXHESA-N", "SMILES:CCCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTWIUQOYOWIFI-GMLZCVKRSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHGJAKTBPFFNV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCC(O)C1C=CC2C(=O)N(c3ccccc3)C(=O)C2N1Nc1ccc([N+](=O)[O-])cc1"]}
{"name": "Bifunctional polynucleotide phosphatase/kinase", "xref": ["CHEMBL.TARGET:CHEMBL4523466"], "id": "UniProtKB:Q9JLV6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Bifunctional polynucleotide phosphatase/kinase", "xref": ["CHEMBL.TARGET:CHEMBL4523434"], "id": "UniProtKB:Q96T60", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHKPYEUWVNNZBC-UHFFFAOYSA-N", "SMILES:O=C1C2C=CC(C(O)c3ccccc3)N(Nc3ccc([N+](=O)[O-])cc3)C2C(=O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTRBIAPRDKBALH-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2C=CC(C(O)C(c3ccccc3)c3ccccc3)N(NC(=O)OC(C)(C)C)C2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHGFBSIGSSWGQP-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2C=CC(C(O)c3cccs3)N(Nc3ccccc3)C2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APNCZYIIHWVGJK-UHFFFAOYSA-N", "SMILES:COc1cc(C(O)C2C=CC3C(=O)N(c4ccccc4)C(=O)C3N2Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSEZESVJDPKRDS-UWJYYQICSA-N", "SMILES:CN1CC(=O)N2[C@H](c3c[nH]c4ccc(Cl)cc34)c3cc4c(cc3C[C@H]2C1=O)OCO4"]}
{"name": "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha", "xref": ["CHEMBL.TARGET:CHEMBL5969"], "id": "UniProtKB:Q99755", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSZKMFNGWQMHC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)[N+]([O-])=C(c1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1875561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIVGEJXWFOZBG-UHFFFAOYSA-N", "SMILES:COCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1589413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXGIKCKEMSLDCG-VOTSOKGWSA-N", "SMILES:O=[N+]([O-])c1[nH]cnc1/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXUBGDMSHLTCPM-HKBQPEDESA-N", "SMILES:CCOc1ccc(CCC(=O)N2CCC(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQHBSNSKQNGIG-PMERELPUSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYGNFZJGTHYYBA-HKBQPEDESA-N", "SMILES:COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(C#N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQOARLAMFQDQNF-LJAQVGFWSA-N", "SMILES:O=C(CC1CCN(C(=O)CCc2ccccc2)CC1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMNTZBNKGVYJL-PMERELPUSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQZMELLNUCBHQ-HKBQPEDESA-N", "SMILES:COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACHENUWPPGTNT-HKBQPEDESA-N", "SMILES:COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTVYGHDEULDEJ-YTTGMZPUSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUGDIBBLCDONA-SNAWJCMRSA-N", "SMILES:O=[N+]([O-])c1nc[nH]c1/C=C/c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNGEGKKEUTKEN-RWZNXTNUSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMARASXOWMKQFE-GJELTFFASA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(C)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOVRMQDPPIRBL-HLVIJMQDSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDIQLFPDZSQICF-WCAMJISASA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(C)=O)CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POIITQUAQXOLHF-GRWBUMOESA-N", "SMILES:CCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGUKDOXAGPDOB-KOIYBHTRSA-N", "SMILES:CCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55814", "category": ["biolink:ChemicalEntity"], "name": "ATHRAQUINONES A", "xref": ["InChIKey:RGCKGOZRHPZPFP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1ccc(O)c2O"], "chembl_natural_product": true}
{"name": "Phosphoglycerate mutase 1", "xref": ["CHEMBL.TARGET:CHEMBL4523447"], "id": "UniProtKB:Q9DBJ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175336", "category": ["biolink:ChemicalEntity"], "name": "Alizarin Red S", "xref": ["InChIKey:HFVAFDPGUJEFBQ-UHFFFAOYSA-M", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)[O-])c(O)c2O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVNBCMGEUDKNP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)Nc1ccc(C(F)(F)F)cc1)c(O)c2O"]}
{"name": "Phosphoglycerate mutase 1", "xref": ["CHEMBL.TARGET:CHEMBL3334418"], "id": "UniProtKB:P18669", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201303", "category": ["biolink:ChemicalEntity"], "name": "PYRVINIUM", "xref": ["InChIKey:QMHSXPLYMTVAMK-UHFFFAOYSA-N", "SMILES:Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1"], "synonym": ["Pyrvinium", "Pyrvinium (cation)", "Pyrvinium cation", "Pyrvinium hydroxide", "Pyrvinium ion", "Pyrvinum (base)"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Synaptojanin-2", "xref": ["CHEMBL.TARGET:CHEMBL4523129"], "id": "UniProtKB:O15056", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Deoxynucleoside triphosphate triphosphohydrolase SAMHD1", "xref": ["CHEMBL.TARGET:CHEMBL4523507"], "id": "UniProtKB:Q9Y3Z3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZIZUQSOFMLIIR-CQSZACIVSA-N", "SMILES:c1ccc2c(c1)CCC[C@H]2Nc1nc2ccccc2[nH]1"]}
{"name": "Transient receptor potential cation channel subfamily M member 7", "xref": ["CHEMBL.TARGET:CHEMBL1250412"], "id": "UniProtKB:Q96QT4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDODYFOOJCIHGK-GIDUJCDVSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc(O)cc3)cc2)cc1"]}
{"name": "Transmembrane 4 L6 family member 5", "xref": ["CHEMBL.TARGET:CHEMBL4523127"], "id": "UniProtKB:O14894", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJKSOGFGWQZGRL-XCVCLJGOSA-N", "SMILES:Nc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEGRADBFAKNHQ-NYYWCZLTSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL145927", "category": ["biolink:ChemicalEntity"], "name": "4,4'-DIHYDROXYCHALCONE", "xref": ["InChIKey:FZQLEXXZAVVCCA-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4443554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLGWPGHCEANZHW-GNVHBYGFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"name": "Dual specificity protein phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL4523361"], "id": "UniProtKB:Q7T2L8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"name": "Dual specificity protein phosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL6026"], "id": "UniProtKB:P28562", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKWPFLJVCYWGT-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(CC(=O)NCCCCCCNC(=O)CCc3ccc4c(=O)c5c(sc6c(=O)c7ccccc7c(=O)c65)c(=O)c4c3)cc(=O)oc2c1"]}
{"name": "Dermcidin", "xref": ["CHEMBL.TARGET:CHEMBL4523267"], "id": "UniProtKB:P81605", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWUWIMAXHCTYJA-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2c(=O)c2c1sc1c(=O)c3ccccc3c(=O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4454555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIICJQPBMXWNNI-UHFFFAOYSA-N", "SMILES:CC(C)=CCCc1ccc2c(=O)c3c(sc4c(=O)c5ccccc5c(=O)c43)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKFVYHZECOACS-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc2c(=O)c3c(sc4c(=O)c5ccccc5c(=O)c43)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2000760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMAPQIACQSCRU-LFIBNONCSA-N", "SMILES:O=C(O)c1ccccc1/C=C1\\Cc2ccc3c(c2C1=O)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVRONXTELQQCO-VQHVLOKHSA-N", "SMILES:O=[N+]([O-])c1ccccc1/C=C/C=C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1467123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXNNPGGYHAWDJW-UHFFFAOYSA-N", "SMILES:Nc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYIVAMUZFKHCGU-KNTRCKAVSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)/C(=N\\Nc1ccccc1)C(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1988909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFUFNNDOAUACG-FUVGAYRCSA-N", "SMILES:O=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S"]}
{"name": "Son of sevenless homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL4523334"], "id": "UniProtKB:Q62245", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFZLBQHTPRXHSQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1c2ccc3cc(O)ccc3c2oc2c1ccc1cc(=O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4573129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRFFBBVYHOUSA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c3c(c1)C1C=CCC1C(c1ccccc1Cl)N3CC1CC=CC21"]}
{"name": "Protein-lysine 6-oxidase", "xref": ["CHEMBL.TARGET:CHEMBL2249"], "id": "UniProtKB:P28300", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSJCFXZRFFIJTM-UHFFFAOYSA-N", "SMILES:NCc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVFBUYNEPBFQT-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(O)cccc1CCc1ccc2ccccc2c1"]}
{"name": "Transcription factor SOX-18", "xref": ["CHEMBL.TARGET:CHEMBL4523228"], "id": "UniProtKB:P43680", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Transcription factor SOX-18", "xref": ["CHEMBL.TARGET:CHEMBL4523220"], "id": "UniProtKB:P35713", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVFDNRYZXDHTHT-PXAZEXFGSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHPCSSGTQNSJN-YMHQTZQXSA-N", "SMILES:C/C1=C\\C[C@H](O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)C2CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4540311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAOQYXNUSDEVJK-NGBOBVBESA-N", "SMILES:C/C1=C\\C[C@H](O)[C@@H](C)C[C@H]2OC(=O)[C@@H](C)C2CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4450286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFVCHMBPBXPQV-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1c2ccccc2c2cc(I)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWPAQDXEAAQIKQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCn1c2ccc(Cl)cc2c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHZIOIWUBMYFR-OTCDBFHCSA-N", "SMILES:O=C(O)[C@H]1C[C@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZNMJQGAJYWKW-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)c1cc(Cl)ccc1n2CCc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGMJMOLMVHTYFR-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1c2ccc(F)cc2c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNUMQLEWYESCT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1cc(C)ccc1n2CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIORJPNRTDKISC-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1c2ccccc2c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STEPEEHQDRNFGF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1cc(Br)ccc1n2CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDQTVRIFKBQTQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)c1ccccc1n2CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJWXZQRPTBEQQL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAKOBLCSKMUWIA-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1c2ccc(Br)cc2c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1209885", "category": ["biolink:ChemicalEntity"], "name": "DYNASORE", "xref": ["InChIKey:SYNDQCRDGGCQRZ-VXLYETTFSA-N", "SMILES:O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219790", "category": ["biolink:ChemicalEntity"], "name": "CETRIMIDE", "synonym": ["Cetrimide", "Cetrimide", "Cetrimide", "Cetrimida", "Cetrimide", "Cetrimide bromide", "Cetrimides", "Cetrimidum", "Cetrimonium hydroxide", "Lissolamine v", "Quammonium", "Suticide", "Anglian", "Bactrian", "Bansor", "Ceanel", "Cetavlex", "Cetavlon", "Cetavlon pc", "Cradocap", "Medicaid", "Richmond", "Toracsol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL67535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHOKHSGWBNPFQU-GONBZBRSSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1"]}
{"name": "Dynamin-1", "xref": ["CHEMBL.TARGET:CHEMBL1075191"], "id": "UniProtKB:P21575", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPVOSBVTLGGOU-VHUAAIQRSA-N", "SMILES:N#C/C(=C\\c1cc(O)c(O)c(O)c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1cc(O)c(O)c(O)c1"]}
{"name": "Dynamin-1", "xref": ["CHEMBL.TARGET:CHEMBL4523222"], "id": "UniProtKB:P39053", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1186087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANNCFHWMSRTKBZ-UHFFFAOYSA-N", "SMILES:Brc1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1534034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQZYYJRVBIQUGH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c([N+](=O)[O-])c1"], "synonym": ["NSC-60340"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1413199", "category": ["biolink:ChemicalEntity"], "name": "DIPHENADIONE", "xref": ["InChIKey:JYGLAHSAISAEAL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1"], "synonym": ["Diphenadione", "Diphenadione", "Difenadiona", "Diphacinone", "Didandin", "Difenadione", "Diphacinone", "NCI-9138", "NSC-9138", "U-1363"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKJLVPOGRJSLF-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)c(C[N+]23CN4CN(CN(C4)C2)C3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLCRAEHFAASADG-UHFFFAOYSA-N", "SMILES:c1ccc(C2NNC(c3ccccc3)NN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJXVKYIGLPAHX-UHFFFAOYSA-N", "SMILES:C1CN2C(=N1)N1CCN=C1N1CCN=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XROGVOJWUBGOFF-UHFFFAOYSA-N", "SMILES:COCN1CCC2N(COC)CCC3N(COC)CCC1N23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBAIVURIOKLSG-RVNOVNSXSA-N", "SMILES:C/C=C/[C@@H]1O[C@H]([C@H](O)/C=C/C=C/C[C@@H](C)/C=C(\\C=C\\[C@H]2CC=CC(=O)O2)CC)C[C@@H](O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEPXSHOUBCRGQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccccc1F"]}
{"name": "B-cell lymphoma 3 protein", "xref": ["CHEMBL.TARGET:CHEMBL4523197"], "id": "UniProtKB:P20749", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1383390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZPFZJHVCAYFI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHLHDFBECGAEQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUUKKTXIIMYEV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)NCCN1CCCCC1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLEUBBDMOYTGLY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(I)cc1C(=O)NCCN1CCOCC1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXRQVCRRGBZHRU-GJPUVDBCSA-N", "SMILES:CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSSHUDKWJRJKPV-UHFFFAOYSA-N", "SMILES:NNC(=O)c1sc2cccc(Cl)c2c1Cl"]}
{"name": "N-glycosylase/DNA lyase", "xref": ["CHEMBL.TARGET:CHEMBL3396944"], "id": "UniProtKB:O15527", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANQSBXVPHRZJRQ-PDGQHHTCSA-N", "SMILES:CC1CCCC/C1=N/NC(=O)c1sc2ccccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDJTVMYSCJBFN-DJKKODMXSA-N", "SMILES:O=C(N/N=C/c1ccc(F)cc1)c1sc2ccccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYANQCMUOIPHBP-UHFFFAOYSA-N", "SMILES:O=C(NN=C1CCCCC1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDXCCXRAATJCX-UHFFFAOYSA-N", "SMILES:O=C(NN=C1CCCCC1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDVABAUFQJWEZ-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cccnc2)c1"]}
{"name": "Acetylcholine-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL6084"], "id": "UniProtKB:P58154", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6523"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3640765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUVIXGCPOSSJGD-UHFFFAOYSA-N", "SMILES:BrCC1CCC(c2cccnc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHBLIWDUZHFSJW-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3640764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSFZSCNTDEVRV-UHFFFAOYSA-N", "SMILES:NCC1CCC(c2cccnc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFCTHIOMKUJRQ-UHFFFAOYSA-N", "SMILES:Cc1cscc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGMADWICHWLTQ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cccnc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSFZSCNTDEVRV-UWVGGRQHSA-N", "SMILES:NC[C@@H]1CC[C@@H](c2cccnc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNHXJOCWNHZKLQ-UHFFFAOYSA-N", "SMILES:Cc1nccn1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLIGYPHPBLDDL-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2cccnc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LENAVORGWBTPJR-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2cccnc2)o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL360541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGKUWZFWNZFRMO-UHFFFAOYSA-N", "SMILES:NCC#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFKJIBLFGZFSW-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL369285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTXLHXHAPANSL-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2cccnc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQCXYANVLWAPNK-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccsc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFOKBFRTGLSZLU-UHFFFAOYSA-N", "SMILES:c1cncc(-c2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGMPFRIYUFRRX-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2cccnc2)o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL149808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTEDXDYFBMNKGE-UHFFFAOYSA-N", "SMILES:CNCC#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJHSLLRNPASXIS-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2cccnc2)o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL361969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRCUDVXZUHOJA-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2cccnc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSLAHFFHHYZNQL-UHFFFAOYSA-N", "SMILES:CSCc1ccc(-c2cccnc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHHWOJYOUTZHZ-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKRPFYKLLXGKDE-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLMOUMOJSUSSX-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cc[nH]n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORPZWBVJRCLMW-UHFFFAOYSA-N", "SMILES:NCCCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTHCSWRZZBYQIQ-UHFFFAOYSA-N", "SMILES:NCc1cc(-c2cccnc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTBIZDUNOAXTD-UHFFFAOYSA-N", "SMILES:NCc1cc(-c2cccnc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOQSJVEVFADJG-UHFFFAOYSA-N", "SMILES:Cc1ccsc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGQGRAICBWYPW-UHFFFAOYSA-N", "SMILES:Cc1ccsc1-c1ccc(F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL215183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHBGQMUVLIUNQW-UHFFFAOYSA-N", "SMILES:Cc1cscc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQZVKVIYAPRON-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOUXQYCTQDNCAQ-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGKKTUHZXGATO-UHFFFAOYSA-N", "SMILES:c1cncc(-n2cnnn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNPEGVKUXXQPL-YBFXNURJSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1"]}
{"name": "N-myc proto-oncogene protein", "xref": ["CHEMBL.TARGET:CHEMBL4523165"], "id": "UniProtKB:P04198", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIZXYVMASLUIE-JVWAILMASA-N", "SMILES:CCN(CC)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDOZRPJUBBRPNX-LICLKQGHSA-N", "SMILES:CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVPYGXXFOSQNP-QFEZKATASA-N", "SMILES:CCN(CC)c1ccc(/C=N\\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBOINYPHISIMB-BHGWPJFGSA-N", "SMILES:Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2O)c1CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJWRKHCGIKMHJQ-FSJBWODESA-N", "SMILES:CCN(CC)Cc1c(C(=O)N/N=C/c2ccc(N(CC)CC)cc2O)nnn1-c1nonc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKLKVGOKBOAMP-AFUMVMLFSA-N", "SMILES:CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(N(CC)CC)cc2O)nnn1-c1nonc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYNYNWMIKZQKT-GXHLCREISA-N", "SMILES:COc1ccc(OCC(=O)N/N=C\\c2cc(O)c(O)c(Br)c2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2094678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFJENPKQBOWSQ-YBFXNURJSA-N", "SMILES:C=CCc1cccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWXDFGYACXPDP-UHFFFAOYSA-N", "SMILES:COCc1cc(CN(C)C2CCCCC2)c(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFAMTOLWXDCYMV-LPYMAVHISA-N", "SMILES:CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(O)cc2O)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXIXWPQWQJAHG-VXLYETTFSA-N", "SMILES:CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMFIERDMIHQNW-FYJGNVAPSA-N", "SMILES:CCN(CC)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSGNNLHWJCMJJM-UHFFFAOYSA-N", "SMILES:CC(=O)NC(c1ccc2c(c1)OCO2)c1ccc2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSRPRGWXIWFGG-VULFUBBASA-N", "SMILES:O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1523279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGKQUXXASLVQQ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"name": "Eyes absent homolog 2", "synonym": ["Protein phosphatase EYA2"], "xref": ["CHEMBL.TARGET:CHEMBL1293275"], "id": "UniProtKB:O00167", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1474963", "category": ["biolink:ChemicalEntity"], "name": "BENZARONE", "xref": ["InChIKey:RFRXIWQYSOIBDI-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1"], "synonym": ["Benzarone", "Benzarona", "L 2197", "L-2197", "NSC-82134"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4530754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKNIVFIPSLUFD-RGVLZGJSSA-N", "SMILES:O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3190554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZVKZQACAGTRQB-UDWIEESQSA-N", "SMILES:Cc1ccccc1C(=O)N/N=C/c1ccc(Sc2ccccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3189517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZNZFAFIBPMOO-RGVLZGJSSA-N", "SMILES:Cn1cc(Cl)c(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTTQBGWLVYQFAL-SRZZPIQSSA-N", "SMILES:O=C(N/N=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1975051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYCXCXKGCXKMB-PXLXIMEGSA-N", "SMILES:COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3195222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWHGFWNJZZMRV-ZMOGYAJESA-N", "SMILES:N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3191598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPDBDJDMSQTHE-YBFXNURJSA-N", "SMILES:O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IREZQEIPLSGOCU-RGVLZGJSSA-N", "SMILES:O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(Br)c1"]}
{"name": "Fatty acid synthase", "xref": ["CHEMBL.TARGET:CHEMBL1795189"], "id": "UniProtKB:P19096", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1527565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVRCBOSZSZMRX-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(-c2cc(O)c(C)cc2O)cc1O"]}
{"name": "NAD(+) hydrolase SARM1", "xref": ["CHEMBL.TARGET:CHEMBL4523350"], "id": "UniProtKB:Q6SZW1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1529823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXKWMBYYIUTXCY-UHFFFAOYSA-N", "SMILES:O=C1N=C(c2ccccc2)C(c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1709841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCVGPQOKYDOMHP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C2CCCN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1400285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAHRSYYEJMLHM-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)C1C(c2ccccc2)C1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1718737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUPDQKLAXUTBLE-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1489368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPOPXGVJOVIPH-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1c1ccc3c(c1n2C)C(=O)C=CC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1558216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDWNNOGYJWNAAV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1ccc3c(c1n2C)C(=O)C=CC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1407756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJELFFLROCNKMT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1ccc3c(c1n2C)C(=O)C=CC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICCFXXDUYSPKOL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Sc2cccc[n+]2[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1702248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRBRHPUZSWIODD-UHFFFAOYSA-N", "SMILES:Cc1ccc([S+]([O-])c2ccc([N+](=O)[O-])c3nonc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1728361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOQXDRZVQWPHQ-UHFFFAOYSA-N", "SMILES:Oc1cc(CNC2CCCCC2)c(O)cc1CNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1600146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGKOXLKMHPSTG-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1525815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEFMLAPLDTDNB-OXAWKVHCSA-N", "SMILES:CCOC(=O)/C(C#N)=C1\\SS/C(=C(/C#N)C(=O)OCC)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1878187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJIDAFJSVKUFH-UHFFFAOYSA-N", "SMILES:COC(=O)CC1(C(=O)OC)Nc2cc(Cl)c(Cl)cc2S(=O)(=O)N1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2004241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVZWMEHUXGPOIY-DQMXGCRQSA-N", "SMILES:Br.CN(C)c1n/c(=N/Cc2ccco2)ss1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2005998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHPIJXFPKXVPT-MWMYENNMSA-N", "SMILES:Br.CN(C)c1n/c(=N/c2cccc(Cl)c2)ss1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNCQVVBTDSIGV-NNYOXOHSSA-N", "SMILES:NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]cnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)CC=C1"]}
{"name": "NAD(+) hydrolase SARM1", "xref": ["CHEMBL.TARGET:CHEMBL4523348"], "id": "UniProtKB:Q6PDS3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1489812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYUZIHNLKUMCRA-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2csc3ccccc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1547715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEWNHZLVHMLEY-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2ccc3ccccc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AONQTIIZGLZMCY-BSLNIGMPSA-N", "SMILES:NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c4ncn4ccnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)CC=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFIXJIJDZMPPO-NNYOXOHSSA-N", "SMILES:NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2009370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIINLXGWSVXPIL-NTMALXAHSA-N", "SMILES:CN(C)c1n/c(=N/Cc2ccco2)ss1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXGGLZVQMDYPEO-ZRDIBKRKSA-N", "SMILES:CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1CN1CCC=C(n2c(=O)[nH]c3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWHPSLVKNIOIH-GQCTYLIASA-N", "SMILES:C=CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1CN1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYZPHPXNYZOLR-VQHVLOKHSA-N", "SMILES:C=CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKXDWRDJBCXXBJ-GQCTYLIASA-N", "SMILES:CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1CN1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMERUHBGMPMPNM-SHXHPMEISA-N", "SMILES:CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1CN1C[C@@H](O)C[C@@H]1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIRQMHYOSPIDAZ-FNORWQNLSA-N", "SMILES:CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1CN1CCNCC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWYZEDYBSPOAQK-JXMROGBWSA-N", "SMILES:CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2)cc1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODGYBFFFHRTUKE-CSKARUKUSA-N", "SMILES:CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQIWKJBQDZVTJ-FMIVXFBMSA-N", "SMILES:CCOc1cc(O)c(C(=O)/C=C/c2ccc(OC)cc2)cc1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEXRMWNQBJDFHP-VQHVLOKHSA-N", "SMILES:CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQCBTSYENFAFR-PLNGDYQASA-N", "SMILES:CC/C=C\\COC1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNGWNOQUKFLVKK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc2c(c1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCDPGCMEGFTQT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)ccc3oc4ccc(-c5cccnc5)cc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1981072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMSPHGUKBLNCL-QPJJXVBHSA-N", "SMILES:COC(=O)/C=C/C1(O)C=CC(=O)C=C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1451908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQXOBXOYSDUMF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NCc3ccco3)n2)cc1"]}
{"name": "Transient receptor potential cation channel subfamily V member 2", "xref": ["CHEMBL.TARGET:CHEMBL4523498"], "id": "UniProtKB:Q9WTR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZHSWRWIMQRTOP-UHFFFAOYSA-N", "SMILES:CCCN(C)c1cc(C(F)(F)F)nc(SCCC(=O)NCc2ccco2)n1"]}
{"name": "Transient receptor potential cation channel subfamily V member 2", "xref": ["CHEMBL.TARGET:CHEMBL5051"], "id": "UniProtKB:Q9Y5S1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOIHFCFHQFRMBF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-n2ccnc2)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXSEDCFAAMRKY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-n2cnc([N+](=O)[O-])c2)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZJVFDLUWRICT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSCRPHKTKOPLW-UHFFFAOYSA-N", "SMILES:CCCCCCC(=O)Oc1cccc2ccc(-c3ccc(C(F)(F)F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBZNTXYGCXKANL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Oc2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRAZJFLBDBPBGX-HAHDFKILSA-N", "SMILES:CC1=C(CCc2nnn[nH]2)c2ccccc2/C1=C\\c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQDZVORXFPJKFL-MOSHPQCFSA-N", "SMILES:COc1ccc(/C=C2/C(C)=C(CCc3nnn[nH]3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZENKJWMAMPRYFQ-MOSHPQCFSA-N", "SMILES:CSc1ccc(/C=C2/C(C)=C(CCc3nnn[nH]3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVADUTOKRCTICJ-PDGQHHTCSA-N", "SMILES:CC1=C(CCc2nnn[nH]2)c2ccccc2/C1=C\\c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHUXAWJZQWTKJP-PDGQHHTCSA-N", "SMILES:CC1=C(CCc2nnn[nH]2)c2ccccc2/C1=C\\c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOUCAQZAVZKRA-YVLHZVERSA-N", "SMILES:CC1=C(Cc2nnn[nH]2)c2ccccc2/C1=C\\c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBPPARQOOINAV-WQRHYEAKSA-N", "SMILES:CSc1ccc(/C=C2/C(C)=C(Cc3nnn[nH]3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLGKRISUIIQUTK-YVLHZVERSA-N", "SMILES:CC1=C(Cc2nnn[nH]2)c2ccccc2/C1=C\\c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVXMCZOTIURBE-YVLHZVERSA-N", "SMILES:CC1=C(Cc2nnn[nH]2)c2ccccc2/C1=C\\c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBNYFSUJWHZKGF-GZTJUZNOSA-N", "SMILES:CC(C)c1ccc(/C=C2\\C=C(Cc3nnn[nH]3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOZMBQKHQWZJV-GXDHUFHOSA-N", "SMILES:COc1ccc(/C=C2\\C=C(Cc3nnn[nH]3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLBIPUJMTPRDFP-UNOMPAQXSA-N", "SMILES:CC1=C(CCc2nnn[nH]2)c2ccccc2/C1=C\\c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUVRDQCDPGSDJ-SXGWCWSVSA-N", "SMILES:CC(C)c1ccc(/C=C2/C=C(CC(=O)NO)c3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVKDNKNTHGWSQ-HYBUGGRVSA-N", "SMILES:Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)CN2CCN(C(=O)c4ccco4)CC2)[C@@H]3CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32350", "category": ["biolink:ChemicalEntity"], "name": "PIRLINDOLE", "xref": ["InChIKey:IWVRVEIKCBFZNF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1c3n2CCNC3CCC1"], "synonym": ["Pirlindole", "Pirlindol", "Pirlindol", "Pirazidol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL502563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBUGICUKQIKTJ-KABTZXSUSA-N", "SMILES:CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4472327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZFJLHBQKXQARU-XPHFJZSBSA-N", "SMILES:CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@](O)([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)CC[C@@]4(O)[C@@H]3C[C@H]3O[C@]32[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4567455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZDSNDGRSORZSE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2ccc(N(CC)CC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXACYJOAUISERE-FFSZSJMWSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(/C=N/NC(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)[C@H]4C[C@@H](O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJHUQDLXFFBVKZ-VTFKPSHESA-N", "SMILES:C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=N/NC(=O)CCCCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)[C@H]4C[C@@H](O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJYHHWYDOWTOKZ-HZPDHXFCSA-N", "SMILES:COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHRNSZVMIARHIS-UHFFFAOYSA-N", "SMILES:CC(C1CC1)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN(C)C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518705", "category": ["biolink:ChemicalEntity"], "name": "BISORBICILLINOL", "xref": ["InChIKey:VNCFIIWODJHVEC-NEBBRQRBSA-N", "SMILES:C/C=C/C=C/C(=O)[C@]12C(=O)C(C)=C(O)[C@@](C)(O)[C@H]1[C@H]1/C(=C(O)\\C=C\\C=C\\C)C(=O)[C@]2(C)C(=O)[C@@]1(C)O"], "chembl_natural_product": true}
{"name": "Tyrosine-protein kinase Lyn", "xref": ["CHEMBL.TARGET:CHEMBL4363"], "id": "UniProtKB:Q07014", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSGVGGOUZKLAR-GNMOMJPPSA-N", "SMILES:CC(=O)OC[C@H]1OC(OC(C)=O)[C@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"name": "Protein O-GlcNAcase", "xref": ["CHEMBL.TARGET:CHEMBL4523449"], "id": "UniProtKB:Q9EQQ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404482", "category": ["biolink:ChemicalEntity"], "name": "PUGNAC", "xref": ["InChIKey:PBLNJFVQMUMOJY-JXZOILRNSA-N", "SMILES:CC(=O)N[C@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPAIMZHKIXDJRN-FMDGEEDCSA-N", "SMILES:CCNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4536045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUUBZNFATQKRPH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cc(O)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLLHGQURQYFIF-LBPRGKRZSA-N", "SMILES:CC(C)=C[C@H]1c2c(O)cc(C)cc2Oc2cc(C)c(C(=O)O)c(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4533045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNUYTICGMASUDD-ZHACJKMWSA-N", "SMILES:C=CCc1cc(/C=C/C(=O)c2cccc(N(C)C)c2)c(OC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLLBNZMYCPCJLP-UHFFFAOYSA-N", "SMILES:COc1cccc2cc3c(cc12)C(=O)N(c1ccccc1Cl)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYDPBMFSRNEGBI-UHFFFAOYSA-N", "SMILES:CCc1ccccc1N1C(=O)c2cc3cccc(OC)c3cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXZHQBFFYAUHLX-UHFFFAOYSA-N", "SMILES:COc1cccc2cc3c(cc12)C(=O)N(Cc1ccccc1)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMYWICUHHMNZFM-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN1C(=O)c2cc3cccc(OC)c3cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIYNDGIWJHMDTF-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2C(=O)c3cc4cccc(OC)c4cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZAVKZMDFJXDLM-UHFFFAOYSA-N", "SMILES:CCCCCN1C(=O)c2cc3cccc(OC)c3cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGYAJWLZTQWLAY-UHFFFAOYSA-N", "SMILES:COc1cccc2cc3c(cc12)C(=O)N(C(C)(C)C)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYIRFVWUYMMMOM-UHFFFAOYSA-N", "SMILES:COc1cccc2cc3c(cc12)C(=O)N(C(C)C)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHIOMHVMQMKEX-UHFFFAOYSA-N", "SMILES:COc1cccc2cc3c(cc12)C(=O)N(C)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AENXTCRONWDKIS-QFIPXVFZSA-N", "SMILES:N[C@@H](Cn1cc(-c2ccccc2)nn1)C(=O)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNNJLQBJRPWKPI-VWLOTQADSA-N", "SMILES:CC(=O)N[C@@H](Cn1cc(-c2ccccc2)nn1)C(=O)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXRDKYJNQZLJKG-GLXKOJNESA-N", "SMILES:CC1=C2C[C@]3(C)C(=O)C[C@@H](C(C)(C)O)[C@H]3C/C=C(/C)[C@@H]2CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1800813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBULXZPQHOPQBO-YIERNNEGSA-N", "SMILES:COc1cc(/C=C/C=O)ccc1OC/C=C(\\C)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2022666", "category": ["biolink:ChemicalEntity"], "name": "BOROPINAL", "xref": ["InChIKey:GOMATZWZDPFPIR-SNAWJCMRSA-N", "SMILES:COc1cc(/C=C/C=O)ccc1OCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL221960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAHYZVVZFNUXSC-TWGDSDBMSA-N", "SMILES:COc1cc(/C=C/C(=O)O)ccc1OC/C=C(\\C)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3401864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHWIEEOARTXHMA-UHFFFAOYSA-N", "SMILES:COc1cnc(CCn2ccc3c4n(c(=O)c(=O)cc2-4)c2ccccc32)c2c1c1ccccc1n2OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4441909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVIZZPZIASTBPC-MLWJCNIFSA-N", "SMILES:Cc1cc(C)cc(COc2cc3c(cc2OCc2cc(C)cc(C)c2)[C@@H]2C[C@H](O)C[C@@H](C)N2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVBVIKJOWWVJX-MRXNPFEDSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cc3cc(Cl)ccc3o2)(c2nccs2)N1"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 4", "xref": ["CHEMBL.TARGET:CHEMBL4523453"], "id": "UniProtKB:Q9ESP7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPWGFJCNOCYDSO-KRWDZBQOSA-N", "SMILES:Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDBQNZHFRVAZBC-KRWDZBQOSA-N", "SMILES:Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AONLPKICQLHFDZ-SFHVURJKSA-N", "SMILES:CCn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPAODDWHKVLWKW-SFHVURJKSA-N", "SMILES:Cc1cnc([C@]2(CNC(=O)c3cc4cc(Cl)ccc4o3)NC(=O)NC2=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBUIFHDZMEAIE-SFHVURJKSA-N", "SMILES:CCn1ccnc1[C@]1(CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKTAGMTUNRVAKO-SFHVURJKSA-N", "SMILES:Cc1cnc([C@]2(CNC(=O)c3cc4cc(C(F)(F)F)ccc4o3)NC(=O)NC2=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INOYENJSYPDBEC-INIZCTEOSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)(C2CC2)N1"]}
{"name": "ADAMTS5", "synonym": ["A disintegrin and metalloproteinase with thrombospondin motifs 5"], "xref": ["CHEMBL.TARGET:CHEMBL4523351"], "id": "UniProtKB:Q6TY19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXFIYXDXPBZJRN-HFOKRWRUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWWAVTQNZVSGAX-DQLXOGKKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(=O)O)NC(=O)c2ccccc2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHKCLYTOHYHBC-HKBWQBMFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(=O)O)OCC(=O)N(C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEOAEIBMWXOFLP-XODPCHPUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(=O)O)OCc2ccccc2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMNROQTPUKNLA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cccc(-c2cn(C)c(=O)c3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSRAFOXVSNAJA-UHFFFAOYSA-N", "SMILES:C=CCn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJEMCUZKQLRUIS-SNAWJCMRSA-N", "SMILES:C/C=C/Cn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNCNIMOILJQAGJ-UHFFFAOYSA-N", "SMILES:C=CCCn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNOOVGSMCJSCE-DEOSSOPVSA-N", "SMILES:CNC(=O)COc1ccc(-c2c(C#N)c(NC(=O)c3cccc(C[C@H](N)C(=O)O)c3)n3c(nc4ccccc43)c2C#N)cc1"]}
{"name": "Large neutral amino acids transporter small subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL4459"], "id": "UniProtKB:Q01650", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYNMWWFWGBKARG-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OCCO)c2c(c1)OC(C)(C)c1cn[nH]c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIWZCBFDUJMSGC-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc2c(c3c1CCCO3)-c1nn(CC)cc1C(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLPNHITWQWXPH-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cnoc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWIRWAAMNBBFG-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cnoc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHQJYQOJVPVHO-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OCCCO)c2c(c1)OC(C)(C)c1cnoc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANGRMAMXIHZAMM-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cnn(CC)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQFDIPCNDBMEQD-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cn(CC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYDNXITTWSHTQ-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2c(c1)OC(C)(C)c1cn[nH]c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLFOXXLWAYUPME-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OCCCO)c2c(c1)OC(C)(C)c1cn[nH]c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPKRSZPIRSYDL-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OCCCBr)c2c(c1)OC(C)(C)c1cn(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXZAWIOQMNPJK-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OCCBr)c2c(c1)OC(C)(C)c1cn(CC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLRGHDVMLCPLI-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OCCCO)c2c(c1)OC(C)(C)c1cn(CC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBYOKBHKXOQMK-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cnn(C3CCCCC3)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZALPJNSWDNME-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cn[nH]c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCCPRPIMAROCOR-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cn(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTCOVALQKCDAS-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OCCO)c2c(c1)OC(C)(C)c1cn(CC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCKHMOCSJZRSNE-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc2c(c3c1CCCO3)-c1c(cnn1CC)C(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYKRYTABMQHLSV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJOQAKOMOGXSFR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(OCCOc4nonc4OC)cc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXKYDDNYCCSFKJ-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2cc(Sc3nnc4ccc(-c5ccc(F)cc5)nn34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKUHMOJMZFIAO-VIFPVBQESA-N", "SMILES:C[C@H](N)C(=O)NCc1cccnc1Oc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYGYDOOXVKDZCF-UHFFFAOYSA-N", "SMILES:CNCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIUGRXFEJOSPIA-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZRIRIBBYOWMJR-UHFFFAOYSA-N", "SMILES:CNCCNC1CCN(c2cccc(-c3ccnc(C)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTFKESRGOHKAW-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCNCCN)ccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTLMPMRTWNYBN-UHFFFAOYSA-N", "SMILES:NCC(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFTSSVCRTXAUQR-UHFFFAOYSA-N", "SMILES:CC(Cc1c[nH]c2ccccc12)NC(=O)CN"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL318725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHPVAHXPQMOJZ-UHFFFAOYSA-N", "SMILES:CC(N)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPJRMXOVRBZFLQ-ZDUSSCGKSA-N", "SMILES:C[C@H](N)C(=O)NCc1cccnc1N(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBHIZRQCLZEIU-UHFFFAOYSA-N", "SMILES:CCC(c1ccc(OC)cc1)N(C)CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3482822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUYFIPCEFGTVJO-UHFFFAOYSA-N", "SMILES:NCCN1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQGSBQJSJRLNQH-RSAXXLAASA-N", "SMILES:Cc1cc(C)cc(Oc2ccc(CNC(=O)[C@H](C)N)cc2C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLCTIGIDCHOGA-SRVKXCTJSA-N", "SMILES:CNCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBCRQHVMPHGLA-WOGPBLNHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(NC(=O)CCCC(=O)NCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOFLIUMEPLMLKX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(NC(=O)CCCC(=O)NCCNC(=S)Nc4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCDBGISMCSMDRJ-UHFFFAOYSA-N", "SMILES:CC1CCCN(CCCCCCCOc2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIFYNBIQUGNAIX-UHFFFAOYSA-N", "SMILES:Clc1ccc(OCCCCCCCN2CCCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBUPDZRPERDFCP-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(I)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVVCWMDULJCEGQ-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)O)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXQLUFILKKFPPO-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C#CCO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YINVDTUWROXJTQ-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C#CCN)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFWILWAVPRWHN-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(CCCN)cc3)c2n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUZZVOFJQQGWQN-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NCCN)cc3)c2n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBMDOQPSQWEBU-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NCCOCCOCCN)cc3)c2n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBLTWLWOXBSEIT-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NCCCCN)cc3)c2n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBXEBUYSVFBDI-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(S)n(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKHWHYUHBIDAG-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NCCOCCOCCNC(=O)CCC(=O)N4Cc5ccccc5C#Cc5ccccc54)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSIDNPWKOYBFDF-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)cc3ccccc3c2n1CC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTVLAOHUWCQBG-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZLIBXOAUTSRC-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NCc4ccc(OC)cc4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJOGHMWKQQWGLD-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(NC)n(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRONCUPPWOSFN-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NCCC(=O)N4Cc5ccccc5C#Cc5ccccc54)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYKNWWNWXVWAFC-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NCCNC(=O)C4CCC(CN5C(=O)C=CC5=O)CC4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL123234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNLWJFYYOIRPIO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccccc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL573718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOHFECBOWRGWJZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVCVHBVJYFFDNV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFGKAUPTQQDMU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAMZQJZREZDYQK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCYSHIIMOFVLY-ZIRGRKGMSA-N", "SMILES:COc1cc(/C=C/C(=O)/C=C/c2nc(C)c(C)nc2C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVDMCHUTIDAMV-UHFFFAOYSA-N", "SMILES:Cc1ccc(/C(=N/CS(=O)(=O)c2ccccc2)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSDAHSHHKKHOKE-CQSZACIVSA-N", "SMILES:CC[C@@H](C(=O)O)c1ccc2cc(OC)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIVKGIJCKAQZRN-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N3CCCCC3CO)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQYLMXUHFKIDW-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GREBOJNDVGSFRG-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1CCCCN.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526356", "category": ["biolink:ChemicalEntity"], "name": "ZB-716", "xref": ["InChIKey:FIAYIYKWRBIBQG-GDWZZRAASA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O"], "synonym": ["Fulvestrant-3-boronic acid", "Zb-716", "Zb716"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYTZUUXIPJLRY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)c(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGYUCMAKXEACW-UHFFFAOYSA-N", "SMILES:CCC(=O)NCC1CCN(c2ccc(NC(=O)Nc3cccc(Oc4ccnc5cc(OC)c(OC)cc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798017", "category": ["biolink:ChemicalEntity"], "name": "(R)-Carvedilol", "xref": ["InChIKey:OGHNVEJMJSYVRP-QGZVFWFLSA-N", "SMILES:COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4475736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPWQWXABHYRBK-UHFFFAOYSA-N", "SMILES:COC(=O)CN(C(C)=O)C(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGIZJMOCGLLQTO-MMJMHBKGSA-N", "SMILES:CC(/C=C/c1ccccc1)=N/Nc1nc(Nc2ccccc2)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPHQABTZFTWPLO-RAWMCFOBSA-N", "SMILES:COc1ccc(Nc2nc(NCc3ccco3)nc(N/N=C\\c3cc(Br)c(O)c(Br)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEAMDNZXOGZFSZ-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUKBHXDUOFMQX-WGARJPEWSA-N", "SMILES:Cc1cccc2c1[nH]c1nc(N/N=C\\c3c4ccccc4cc4ccccc34)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYTVYKHADDASOT-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLLOKTZLWBJEY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2-c2ccccc2OC)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOQQIAVAWKITHZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(O)(C(=O)NNc2cc(Cl)ccc2Cl)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICNRHSXEHSIYCI-UHFFFAOYSA-N", "SMILES:C=CCN1C(=O)C2(Nc3ccccc3C(=O)N2c2ccccc2OC)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1481561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJPFAUBYKPJOIX-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQWRAVYMZULPNK-BYPYZUCNSA-N", "SMILES:N=C(NO)NCCC[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4564551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOHDDGKYDGJSDH-UHFFFAOYSA-N", "SMILES:Cc1nn(CC2CC2)nc1-c1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL58362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAEJBRCYKACTAA-WGUOAFTMSA-N", "SMILES:CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333357", "category": ["biolink:ChemicalEntity"], "name": "ENDOMORPHIN 2", "xref": ["InChIKey:XIJHWXXXIMEHKW-LJWNLINESA-N", "SMILES:NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4448986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPQXXOWUWIINLL-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1ccc(C(F)(F)F)cc1Cl)C1(N2CCN(S(=O)(=O)c3cn(C)nn3)CC2)CCC(F)(F)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVAUXGZLUPOFNR-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHFBMSYCSPBIQ-INIZCTEOSA-N", "SMILES:CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXJZKUBFJGPDAH-FQEVSTJZSA-N", "SMILES:CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWHWWQFHTUKRJP-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVGNXUZVRFUYLO-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUOLCFRWHTJBJ-UHFFFAOYSA-N", "SMILES:CCN(c1cnc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZHOUGDPNITXRQ-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGUSMRPEYZYOEW-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)c(F)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99203", "category": ["biolink:ChemicalEntity"], "name": "IODOTUBERCIDIN", "xref": ["InChIKey:WHSIXKUPQCKWBY-IOSLPCCCSA-N", "SMILES:Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4592393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTBKQBREMLRON-UHFFFAOYSA-N", "SMILES:NNc1nc2ccccc2c2nc(N)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HILKPCGGLQPFLR-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(cnn2-c2ccccc2)c2n[nH]c(=S)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTIGLPOMZQFZIR-UHFFFAOYSA-N", "SMILES:Sc1nnc2c3c(nc(-c4ccccc4Cl)n12)sc1ccccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNLUOWXNFVZWKB-UHFFFAOYSA-N", "SMILES:CC1CCc2sc3nc(NCc4ccccc4)n4c(S)nnc4c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXOHDIQJFCWFC-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXKORSAFKZHOE-UHFFFAOYSA-N", "SMILES:Sc1nnc2c3c4c(sc3n3c(S)nnc3n12)CCCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPPVQPPWRJNEL-JZFYCYHFSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@H](CNS(=O)(=O)c1ccccc1)O[C@@H]2CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPPVQPPWRJNEL-AFQPOQBFSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNS(=O)(=O)c1ccccc1)O[C@@H]2CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCMAJVLAAKCMS-WUOIFLIFSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNS(=O)(=O)c1ccc(CN)cc1)O[C@@H]2CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKAVQWLDPCSDN-MIAUCTFLSA-N", "SMILES:CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNS(=O)(=O)c1ccc(-c3cn(CCO[C@@H]4O[C@H](CF)[C@@H](O)[C@H](O)[C@H]4O)nn3)cc1)O[C@@H]2CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IESDGNYHXIOKRW-YXMSTPNBSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4567344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHCAZQUDAMIKSF-NTEUORMPSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc(OCc2cc(-c3cccc(OC(F)(F)F)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBMQGJBWDIACKV-AWNIVKPZSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc(OCc2cc(-c3ccc(Cl)c(F)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCGMEZVEVRPJRQ-AWNIVKPZSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc(OCc2cc(-c3ccc(Cl)c(Cl)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWZIULAPPWCFB-GPYVYJEHSA-N", "SMILES:Cc1ccc(-c2cc3ncccc3c3cc(C(=O)N[C@H]4CC5CCC4(C)C5(C)C)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCHXVBOKNYSQML-SHPPYHEDSA-N", "SMILES:CC1(C)C2CC[C@@H](CNC(=O)c3cc4c5cccnc5cc(-c5ccc(Cl)cc5Cl)n4n3)C1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNAWZNJOLTXYTP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3ncccc3c3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCWBOKRFBYXTR-NVNXTCNLSA-N", "SMILES:CCOC(=O)CN1C(=O)S/C(=C\\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVPCZZNYFVJIQI-UHFFFAOYSA-N", "SMILES:O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENILVUXRIRSJG-CDSNNWPASA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJZOIBPXUKCAM-ZZPQTYKZSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNYNBUKNRICJW-GMQFBICOSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHSMBKNGYRHBKC-NEXKANLYSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHRWGOLXMKNPGQ-GNVHXFOQSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBGZCQLKLXCIB-WXGHFFLUSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLALFDXCDBISHE-MHBDANATSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLSWZNQOKCOMP-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cccc3nc(-c4cccnc4)nc(NCc4ccccn4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJHJIXYGIZLLF-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUPFSRUOCULQSY-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2cnccc21"]}
{"name": "Human immunodeficiency virus type 1 Gag protein", "synonym": ["Gag polyprotein"], "xref": ["CHEMBL.TARGET:CHEMBL3556"], "id": "UniProtKB:Q77YG1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYVHLZLQVWXBDZ-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL318782", "category": ["biolink:ChemicalEntity"], "name": "Dichlon", "xref": ["InChIKey:SVPKNMBRVBMTLB-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(Cl)C(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1714002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFJSDBUJXJBRRA-UHFFFAOYSA-N", "SMILES:COC1=C(Br)C(=O)c2ncccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL132160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUWOPVCIIBKUQS-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(Cl)C(=O)c2ncccc21"]}
{"name": "Matrix protein P17", "xref": ["CHEMBL.TARGET:CHEMBL4523946"], "id": "UniProtKB:Q97730", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11676"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWVPYLQJDFQHL-OAHLLOKOSA-N", "SMILES:Fc1cccc(-c2cn([C@@H]3CN4CCC3CC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWVPYLQJDFQHL-HNNXBMFYSA-N", "SMILES:Fc1cccc(-c2cn([C@H]3CN4CCC3CC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGNZBWKVIGAWTQ-OAHLLOKOSA-N", "SMILES:Fc1ccc(-c2cn([C@@H]3CN4CCC3CC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGNZBWKVIGAWTQ-HNNXBMFYSA-N", "SMILES:Fc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZVPBHUTOKXCD-KNSAGXPHSA-N", "SMILES:CC(=O)O/C1=C(\\C)[C@H]2O[C@](C)([C@@H](OC(C)=O)[C@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@@H](C)[C@@H]3OC(C)=O)[C@H]2O[C@@H]2C(C)(C)[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRMXGIKDWJKAIM-VCTIFAQYSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](O)[C@]2(OC(C)=O)[C@H](O)[C@](C)(O)/C=C/C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4528921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GETOQOLNNOSHGX-BILZVYBCSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@]2(OC(C)=O)[C@H](O)[C@](C)(O)/C=C/C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRJPXAAZDGNTMY-DPGWUSOLSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](O)[C@]2(OC(C)=O)[C@H](O)[C@](C)(O)CCC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHCAOWBATVARGU-GAJALBIZSA-N", "SMILES:CC(=O)O/C1=C(\\C)[C@@H](O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@]2(OC(C)=O)[C@H](OC(C)=O)/C(C)=C/CC(C)(C)[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENDCCVWUFTDNT-MLDZYZRNSA-N", "SMILES:CC(=O)O/C1=C(\\C)[C@H]2O[C@@](C)([C@@H](OC(C)=O)CC(C)(C)[C@H](OC(C)=O)[C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@]1(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@@H](C)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQUAWMAMZBCSM-GCKXBULJSA-N", "SMILES:CC(=O)O/C1=C(\\C)C(=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(C)=O)[C@]2(OC(C)=O)[C@H](OC(C)=O)/C(C)=C/CC(C)(C)[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDYKSVSWCGXEQ-FEVODBKBSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(C)=O)[C@]2(OC(C)=O)[C@H](O)[C@](C)(O)/C=C/C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIXMPOQVKLYAGX-GQPFPMANSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@]2(OC(C)=O)[C@H](O)[C@](C)(O)/C=C/C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHCZKZBIKCDHDI-HMOYXPRCSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(=O)c3ccc(Br)cc3)[C@]2(OC(C)=O)[C@H](O)[C@](C)(O)/C=C/C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMIGXCKBOZQRA-KOGHDMOJSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(=O)c3ccco3)[C@]2(OC(C)=O)[C@H](O)[C@](C)(O)/C=C/C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUUOPKQRNVVPKI-JOWVGLJASA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(=O)c3cccs3)[C@]2(OC(C)=O)[C@H](O)[C@](C)(O)/C=C/C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVPRVZDSKROENK-TXPAIYRLSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(C)=O)[C@]2(OC(C)=O)C(=O)[C@](C)(O)/C=C/C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSNEHWEXLGILQ-GULIZYAYSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(C)(C)C/C=C(\\C)[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@@H](/C=C(\\C)[C@@H]1OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@@H](C)[C@@H]2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENXDSIXYLVNIV-LYTFYCDGSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@](C)(O)[C@@H](O)[C@@]2(OC(C)=O)[C@@H](O)[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRESIVVBCHRZGT-VCTIFAQYSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](O)[C@]2(OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@](C)(O)/C=C/C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLFCOKOCPBIBN-VXNMKOKCSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](O)[C@]2(O)[C@H](O)[C@](C)(O)/C=C/C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVWVRBTSYPBMM-GNHRWQGESA-N", "SMILES:CC(=O)O/C1=C(\\C)[C@@H](O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(C)=O)[C@]2(OC(C)=O)[C@H](OC(C)=O)/C(C)=C/CC(C)(C)[C@H](OC(C)=O)[C@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4579906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZCYGWELNHHAC-GNXMOVIWSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(C)=O)[C@]2(OC(C)=O)[C@H](OC(C)=O)/C(C)=C/CC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4468602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHIGANDVEUINSO-FEVODBKBSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](O)[C@]2(OC(C)=O)[C@H](OC(C)=O)[C@](C)(O)/C=C/C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQTLUWAZYSPAJJ-LEPXPQLUSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(C)=O)[C@]2(OC(C)=O)[C@H](OC(C)=O)[C@]2(C)O[C@H]2CC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL170405", "category": ["biolink:ChemicalEntity"], "name": "ROBINETIN", "xref": ["InChIKey:SOEDEYVDCDYMMH-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL508990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTWXUQMLQGAPC-XIBAMJMMSA-N", "SMILES:C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4471269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOOKDIMCAPJGV-HNNXBMFYSA-N", "SMILES:Nc1nc2[nH]c(CCN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPENPAQNDNZZTP-INIZCTEOSA-N", "SMILES:CC(=O)N(CCc1cc2c(=O)[nH]c(N)nc2[nH]1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTSMBZFBGMYYIT-AWEZNQCLSA-N", "SMILES:Nc1nc2[nH]c(CCN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFYUKZOGWIMWFW-AWEZNQCLSA-N", "SMILES:Nc1nc2[nH]c(CCOc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPAURQDCTYKMTE-AWEZNQCLSA-N", "SMILES:Nc1nc2[nH]c(CCSc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFNWIIALSMNORN-AWEZNQCLSA-N", "SMILES:Nc1nc2[nH]c(CCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWDTXEGUHZVMNR-UHFFFAOYSA-N", "SMILES:Cc1nc(Cn2cnc3cc(C)c(C)cc32)cs1"]}
{"name": "Gastrotropin", "xref": ["CHEMBL.TARGET:CHEMBL4523235"], "id": "UniProtKB:P51161", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHXNQXDQQMTQI-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDGFWVWZPIOXIK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCC(NCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPULWTACQLMJFI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCN(C(=O)c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQMFDAMIJDOTJI-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(Cc2ccc3c(c2)OCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWECGTFNUMQVFN-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPLYGSLQBCCGB-UHFFFAOYSA-N", "SMILES:COC(=O)c1cscc1-c1ccc(C(=O)N2CCOCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXOJHOVPKUPGIZ-UHFFFAOYSA-N", "SMILES:O=C1NCCOc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFQISHSXCFZMU-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(N)[nH]c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFRCJGGLOGYEK-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1nncc1-c1ccccc1Sc1ccc([N+](=O)[O-])cc1"]}
{"name": "Virion infectivity factor", "xref": ["CHEMBL.TARGET:CHEMBL4523940"], "id": "UniProtKB:P12504", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11698"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMVQKACKTVJPRA-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(-c2ccccc2Sc2ccc([N+](=O)[O-])cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXEYZOCQQSNWAM-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1noc(-c2ccccc2Sc2ccc([N+](=O)[O-])cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWYQAHVWDIZJMI-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nnc(-c2ccccc2Sc2ccc([N+](=O)[O-])cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNUDHUHXMELIJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJAJLPTYEJJXDP-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(-c2ccccc2Sc2ccc(C(F)(F)F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUJLKQAFMOHLT-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(-c2ccccc2S(=O)(=O)c2ccc(N)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMWYAXIASMUSFA-UHFFFAOYSA-M", "SMILES:COc1ccccc1-n1cc(-c2ccccc2S(=O)(=O)c2ccc(C(=O)[O-])cc2)nn1.C[N+](C)(C)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVUBKXEGCUYDD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2cc(-c3ccccc3Sc3ccc([N+](=O)[O-])cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCWAVXQDQOYNP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Sc2ccccc2-c2cn(-c3cc(OC)ccc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LITJLRLFCULLSS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2cc(-c3ccccc3S(=O)(=O)c3ccc(N)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRZJKHSTKUHAIB-UHFFFAOYSA-M", "SMILES:COc1ccc(OC)c(-n2cc(-c3ccccc3S(=O)(=O)c3ccc(C(=O)[O-])cc3)nn2)c1.C[N+](C)(C)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJMLUTUFULEHTO-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCNN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILFPOGFIWYCOLK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCCNN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFYIGOTVSGBLQ-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(Cl)cc(Cl)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1"]}
{"name": "Lysophosphatidic acid receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4523464"], "id": "UniProtKB:Q9JL06", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIUHESIPAWCHNN-UDWIEESQSA-N", "SMILES:Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSUMWZMVDRHIV-RQZCQDPDSA-N", "SMILES:CCOc1cc(/C=c2/sc3nc4c(C)c(C)ccc4n3c2=O)cc(Br)c1OCC(=O)O"]}
{"name": "Protein phosphatase 1A", "xref": ["CHEMBL.TARGET:CHEMBL2437"], "id": "UniProtKB:P35813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein phosphatase 1B", "xref": ["CHEMBL.TARGET:CHEMBL2845"], "id": "UniProtKB:O75688", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSIABNCMWUTBHR-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)C1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFZCUKCYVLOVIA-SZCHVDSXSA-N", "SMILES:C=CCc1cccc(/C=N/NC(=O)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CC[C@H](CCNC(=O)c4ccccc4)[C@H](NC(=O)[C@H](CC)NC)C(=O)N32)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WROBUHFVFDBMRM-KXIGYTACSA-N", "SMILES:CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)c1ccccc1)CC[C@H]2C(=O)N[C@H](C(=O)N(Cc1ccccn1)Cc1ccccn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHASZHUQQPMTFZ-WSCXZWOYSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)CCN)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFIAHIZNOGABR-UHFFFAOYSA-N", "SMILES:N=C(CCl)NCCCC(=O)NCc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIUJUXIRJKCLNI-UHFFFAOYSA-N", "SMILES:N=C(CCl)NCCCc1ncc(-c2cccc(-c3ccccc3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2263368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODFNAVRZPMCEM-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C(=O)Nc1cccc(Cl)c1"]}
{"name": "Acyl-CoA (8-3)-desaturase", "xref": ["CHEMBL.TARGET:CHEMBL5727"], "id": "UniProtKB:Q920R3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUUXZSFROGBKSI-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)Nc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDRJHYQTJUSAD-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Nc1cc(C)ccc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZDHVUVGQXVYOP-TWJOJJKGSA-N", "SMILES:Cc1cn([C@H]2C[C@@H](O)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4439992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVRXQXNVDLUWMV-UHFFFAOYSA-N", "SMILES:CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1"]}
{"name": "Acyl-CoA (8-3)-desaturase", "xref": ["CHEMBL.TARGET:CHEMBL5840"], "id": "UniProtKB:O60427", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFYKXKMYVYOUNJ-JBASAIQMSA-N", "SMILES:N#CC(CCCN1CCN(/N=C/c2cccnc2)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHZSQKZXVYUBRJ-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.c1ccc(-c2ccc(OCCCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGUKBYLZRTUDN-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.c1ccc(-c2ccc(OCCCCCN3CCCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCPVVOUURVKMH-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCCC[n+]1ccc(/C=C/c2c[nH]c3ccc(F)cc23)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJSWFLUERDNJI-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1noc(CCC(=O)Nc2ccc(Cl)cc2)n1"]}
{"name": "Inosine-5'-monophosphate dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL4523953"], "id": "UniProtKB:Q9HXM5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUUXKXXLXWNKF-UHFFFAOYSA-N", "SMILES:O=C(CCS(=O)(=O)c1ccc2c(c1)SCC(=O)N2)NCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJBJKWABIACQU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cc(Br)ccc2F)c2c(-c3ccc(Cl)cc3)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYHFDSNMPHCFQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cc(C(=O)O)nc3[nH]nc(-c4ccc(Cl)cc4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCLRFJSAWRCJKU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cc(C(=O)O)nc3[nH]nc(-c4ccc(Cl)cc4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSXIJPDLTUJGI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cc(C(=O)O)nc3[nH]nc(-c4ccc(C)cc4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZQVMULLXPXKAE-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1-c1cc(C(=O)O)nc2[nH]nc(-c3ccc(C)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBEKHFIPWNOGJA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCOc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYQBOZIYEBXBSE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)O)nc3[nH]nc(-c4ccc(C)cc4)c23)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFFVEXLWZBLVSZ-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccc([N+](=O)[O-])s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWGFBHZEQKIBJI-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFPJAOKBASIPO-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL296966", "category": ["biolink:ChemicalEntity"], "name": "CHICAGO SKY BLUE SODIUM", "xref": ["InChIKey:BPHHNXJPFPEJOF-GPTZEZBUSA-J", "SMILES:COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(OC)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWFHPSVMLEEEO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C2C3=C(Nc4c2c(=O)[nH]c(=O)n4Cc2ccccc2)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAYKWKOWEOGULE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWUAXVOJNDVOZ-SANMLTNESA-N", "SMILES:CCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMGRNMRIWBDSB-QHCPKHFHSA-N", "SMILES:CCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQYCTVKPEQRUPP-NDEPHWFRSA-N", "SMILES:CCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVLUISYLQJEAGO-NDEPHWFRSA-N", "SMILES:CCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQGLLUJIVNREL-HKBQPEDESA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLWLZNMMRMHRT-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(COc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWMZQKEIXGPNU-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(COc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277294", "category": ["biolink:ChemicalEntity"], "name": "PHTHALIMIDE", "xref": ["InChIKey:XKJCHHZQLQNZHY-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFLHJFXOCSNLAL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=S)Nc1ccc2c(c1)C(=O)NC2=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYPWCVMZDPROU-VQHVLOKHSA-N", "SMILES:O=c1nc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)[nH]c2c1CCN(Cc1ccccc1)C2"]}
{"name": "StAR-related lipid transfer protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4523333"], "id": "UniProtKB:Q61542", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "StAR-related lipid transfer protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4523297"], "id": "UniProtKB:Q14849", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCNFLPYHQIYHP-UHFFFAOYSA-N", "SMILES:c1ccc2cc(-c3noc(C4CCNCC4)n3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXSHTIAOVCJMCE-HNNXBMFYSA-N", "SMILES:c1ccc2cc(-c3noc([C@@H]4CCCCN4)n3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3701697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYGLTKXMFGWXJT-AWEZNQCLSA-N", "SMILES:C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIYVSEMGWXQRLD-OCEACIFDSA-N", "SMILES:CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJQOGFPUIGTZMP-UHFFFAOYSA-N", "SMILES:CC1(C)CC(Cl)CN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKQZIXPQPFBBBF-UHFFFAOYSA-N", "SMILES:CCCCN1CC(Cl)CC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCZNOFCAANQAP-UHFFFAOYSA-N", "SMILES:Oc1ccc(O)c(-c2nc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWVOHOLNWJCRTG-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(CCCCCCCC(=O)NO)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJHRYXESIEOKE-UHFFFAOYSA-N", "SMILES:COc1cccc(CCCCCCCC(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVPCAGDUNGUTBP-ZRBLSXMTSA-N", "SMILES:CCCCCCCCCCCCCCCCOC(=O)NCCSC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXCYRSXHVGUFP-XQLYAWKKSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CSCCOC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVJKYKTGQXRAH-XQLYAWKKSA-N", "SMILES:CCCCCCCCCCCCCCCCOC(=O)NCCSC[C@H](NC(=O)NCCCCCCCCCCCCCC)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVUGRBXCTKIEHM-DLMHBMBKSA-N", "SMILES:CCCCCCCCCCCCCCCCOC(=O)NCCSC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIVNCQQVOCLZQE-ALHLMSCISA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CSCCNC(=O)OCCCCCCCCCCCCCC)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUVLZPSSXDFUHH-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(-c2cnc(N)c(-c3ccc(C#N)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEKSSMJINNJSX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc(-c3ccc(O)cc3)cnc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARJFNUGCLEZKM-UHFFFAOYSA-N", "SMILES:Nc1ncc(Br)c2ccc(-c3ccnc(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGYRFKPADNOZGF-OAZHBLANSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(CN2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGPRCAXXKTFSA-OAZHBLANSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)cc2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKBFRDLYPKVXJU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLJDNHCDABTPO-KODGKZAJSA-N", "SMILES:CN(C)CC/C=C/C(=O)Nc1cccc(N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWNSTWCRZSAVLB-FGTSTTERSA-N", "SMILES:CN(C)CC/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)C2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHAWMZQFFZNGT-OAZHBLANSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)CC2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL342155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYEOLAMWQVWASS-XKCSGWQSSA-N", "SMILES:C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1CC[C@@]1(CS[C@@]3(CC[C@H]4[C@H](C)CC[C@@H](c5ccoc5)N4[C@@H]3O)C1)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4589827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADOZDZDEVMURQN-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(C)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTSHDJZHMIHMMA-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Cn2c(C)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZTASCKQDBODDX-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL154585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWLKPHOMARIZAB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVIDRTHIJIXBDS-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL152162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBGBWAPFWWJRE-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCNKEBTPHJTPP-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDBUPYIRFBUJSV-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)CCCCCCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL154574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDDFTZLVFIQFL-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZCDQJDLGNGSGG-CMDGGOBGSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGUXVFMHHYIKM-VAWYXSNFSA-N", "SMILES:CCCNNC(=O)/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGZCUGGIJNIVPP-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORXBWNTEDOVKN-UHFFFAOYSA-N", "SMILES:O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXFYWBJQZPFDA-PPGNKHEKSA-N", "SMILES:COC(=O)C1=C(C(C)C)NC(=S)N[C@H]1/C=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRHFFMMRAQOIO-PPGNKHEKSA-N", "SMILES:COC(=O)C1=C(C(C)C)NC(=S)N[C@H]1/C=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFWXOLWPQYHMBW-UHFFFAOYSA-N", "SMILES:CCCCc1nc(C)c(Cc2nc(C(C)(C)C)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYNQBWMTQMMDG-HZBXQFCESA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"name": "Tumor necrosis factor receptor superfamily member 6", "xref": ["CHEMBL.TARGET:CHEMBL4523207"], "id": "UniProtKB:P25445", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJPCKZBSJLRII-NCJDHVBUSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NCCN(C(=O)CCS)[C@@H](CCCNC(=N)N)C(=O)NCCN(C(=O)CCCCCN)[C@@H](Cc1c[nH]cn1)C(=O)NCCN(C(=O)CCCCNC(=N)N)[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSYGDVXFUPAQZ-CHQNGUEUSA-N", "SMILES:N=C(N)NCCCCC(=O)N(CCNC(=O)[C@H](Cc1c[nH]cn1)N(CCNC(=O)[C@H](CCCNC(=N)N)N(CCN)C(=O)CCS)C(=O)CCCCCN)[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLHPOUAMXARWCW-GLDQKVSOSA-N", "SMILES:N=C(N)NCCCCC(=O)N(CCNC(=O)[C@H](Cc1c[nH]cn1)N(CCNC(=O)[C@H](CCCNC(=N)N)N(CCN)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)CCCCCN)[C@@H](CCCCN)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"name": "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1", "xref": ["CHEMBL.TARGET:CHEMBL3964"], "id": "UniProtKB:P19174", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYMGKKOEOHJOB-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3cccc(F)c3)nc2-c2ccc3nsnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKZHLYETJIJPW-AWSIMMLFSA-N", "SMILES:Cc1c(COc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)cccc1-c1cccc(COc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USIAOGSKOJHRHX-MHLGECDUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDSVIHXHBATOEG-BSJFHTPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYUDAFJZWUGSH-RGPAPDTMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJONLLYTMAZQST-UDOCZINJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYDFVPAEIFUQAZ-JGMOYVOUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGKSNFBRKMUBQT-AUYKUYRXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKPXJXMEXDMHS-CUWQVVTHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C)[C@@H](C)O"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 4", "xref": ["CHEMBL.TARGET:CHEMBL3165"], "id": "UniProtKB:P29074", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1332168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLYUUANOICYAAL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)n1-c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUUWHOSUKOCRHG-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn12"]}
{"name": "PH and SEC7 domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4523322"], "id": "UniProtKB:Q5DTT2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1972541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNMYBBZJYXAFKU-LDADJPATSA-N", "SMILES:O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C/c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4570685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXRDPRZWDNMVAH-HIXSDJFHSA-N", "SMILES:O=C1C(NS(=O)(=O)c2ccccc2)=C/C(=N\\S(=O)(=O)c2ccc(F)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDJQGPHODKOHJ-UHFFFAOYSA-N", "SMILES:CC(C)OC1(O)C(=O)c2ccccc2C(=O)C1(O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHKSRRXJNYYCS-XDHOZWIPSA-N", "SMILES:CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXYVLFTZRPNRV-KMKOMSMNSA-N", "SMILES:O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESWDSGEMIBHER-UHFFFAOYSA-N", "SMILES:O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDPSYDYYOULLK-UKTHLTGXSA-N", "SMILES:CC(C)(C)c1cc(/C=C2/SC(=S)NC2=O)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEWUZNUANBLQKB-VYTDOVKOSA-N", "SMILES:CCOc1cccc(NC(=O)C2CC(=O)N(/N=C(\\C)c3ccc(Br)s3)C(=N)S2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIKWQODBBBZKY-MHWRWJLKSA-N", "SMILES:COc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1453619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKXEPGUWATASL-UHFFFAOYSA-N", "SMILES:Cn1c(=S)[nH]c2sc3c(c2c1=O)CCC(C(C)(C)C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBBLGLMUYPLJRH-UHFFFAOYSA-N", "SMILES:O=C(NC1(O)C(=O)c2ccccc2C1=O)c1cnn(-c2ccccc2)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJTSOFKIZMMWJS-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc(C(=O)O)ccc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJWTOBUUJGNRU-PXLXIMEGSA-N", "SMILES:O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWWQHOIKFFPVAC-LCYFTJDESA-N", "SMILES:CC1=NOC(=O)/C1=C\\c1ccc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMIAPDJGINSRK-BOPFTXTBSA-N", "SMILES:Cc1cccc(OCCOc2ccc(Br)cc2/C=C2\\SC(=S)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPFDAMGPOMPFJC-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnc3nonc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTGSEWAADRXAQ-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccccc2)[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJRDDHAPNEIBU-UHFFFAOYSA-N", "SMILES:COC(=O)CSC1=C(C#N)C(=O)NC(c2ccccc2O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1316595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSPMNEMWIHPQQP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CSc2nc(-c3cccs3)c3c(c2C(=O)O)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLFUUQFIZBWCBW-CMDGGOBGSA-N", "SMILES:CCSC1=C(C#N)C(=O)NC(/C=C/c2ccccc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYJWRYIFAPBQE-SBFJKYRKSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=C/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMUHSRARSBTTHY-UHFFFAOYSA-N", "SMILES:O=C1C=C2N(c3ccccc3)CCOC2(O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1438469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KATANIKYTPGMHE-UHFFFAOYSA-N", "SMILES:Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPDTXHHGBVEIJ-UHFFFAOYSA-N", "SMILES:N#CC1=C(SCc2ccccc2)SC(c2ccccc2O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDOZIMLSNOJSI-FBMGVBCBSA-N", "SMILES:CC1(c2ccccc2)CC(C)(C)N2C(=O)/C(=C3/SC(=O)NC3=O)c3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRUNGLGGHPAKPZ-UEWBMVEHSA-N", "SMILES:O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039219", "category": ["biolink:ChemicalEntity"], "name": "RHODOMYRTOXIN", "xref": ["InChIKey:DEUFHKWBUJBCRS-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(C(=O)CC(C)C)c2oc3c(C(=O)CC(C)C)c(O)c(C)c(O)c3c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1332616", "category": ["biolink:ChemicalEntity"], "name": "ERYTHROSINE", "xref": ["InChIKey:OALHHIHQOFIMEF-UHFFFAOYSA-N", "SMILES:O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL51314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZQDDSYKVYARDW-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2"]}
{"name": "4-diphosphocytidyl-2-C-methyl-D-erythritol kinase", "xref": ["CHEMBL.TARGET:CHEMBL2366480"], "id": "UniProtKB:P62615", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL131890", "category": ["biolink:ChemicalEntity"], "name": "ATPGAMMAS", "xref": ["InChIKey:NLTUCYMLOPLUHL-KQYNXXCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4521207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGOMXBOHQUBUMI-VTGFLYEISA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1C(=O)c2c(ccc3ccc(=O)oc23)OC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4519538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGYGGXZMAHIKN-RBOXIYTFSA-N", "SMILES:CN1CC[C@@]23CC[C@H](O)C[C@@H]2Oc2c(O)ccc(c23)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL469638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJRMHIXYLGOZSE-JDFRZJQESA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)CC[C@@]31CCN(C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1524", "category": ["biolink:ChemicalEntity"], "name": "SANGUININE", "xref": ["InChIKey:OYSGWKOGUVOGFQ-RBOXIYTFSA-N", "SMILES:CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(O)ccc(c23)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4564293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDSKNPKZUCSOW-HDAAZOAOSA-N", "SMILES:CC(C)=CCC(=O)OC[C@H](C)CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4544488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTPVQPYBVUYAJ-WHLIWEHUSA-N", "SMILES:C[C@H](CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21)COC(=O)CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4593141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXGDHYMKSMWDCZ-KVQFATBCSA-N", "SMILES:C[C@H](CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O)COC(=O)/C=C/c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4518229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCQIZULFAQDXNZ-FUQXGSJFSA-N", "SMILES:COc1cc(/C=C/C(=O)OC[C@H](C)CCC[C@H](C)[C@@H]2CC[C@@H](C)c3c2cc(C(=O)O)c(O)c3O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4566339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVALTTZEWZAZPV-MJBXVCDLSA-N", "SMILES:CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463312", "category": ["biolink:ChemicalEntity"], "name": "BIFLORIN", "xref": ["InChIKey:XTZWWMZDVUKEDJ-SPEJKDPOSA-N", "SMILES:Cc1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL476921", "category": ["biolink:ChemicalEntity"], "name": "GINKGOLIC ACID 13:0", "xref": ["InChIKey:VEPUCZUJLKAVNM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCc1cccc(O)c1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4483820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNVOHHZMQVBZQE-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2ccc(N(C)C=O)cc2)c(C)nc1Cc1ccc(N(C)C=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1232164", "category": ["biolink:ChemicalEntity"], "name": "SEBACIC ACID", "xref": ["InChIKey:CXMXRPHRNRROMY-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4519263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCJVMMDTBEITC-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4483451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNQJMDJQUAQRGI-MDZDMXLPSA-N", "SMILES:CCCCCCC(/C=C/C(=O)OCC)OO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZLKOACVSPNER-LBPRGKRZSA-N", "SMILES:C#CCN(C)[C@@H](C)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4206812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVLFPXGWUQAEEW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDCZOLPCRVTBPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGKQRUPULPYQAC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(NCC3CCN(Cc4cc(F)cc(F)c4)CC3)sc2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVJGWBMSKROOI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ncc(=O)n(-c5ccc(N)cc5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMADHXLLWGXXLW-YJKIEOBBSA-N", "SMILES:C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cc3c(F)cc(F)cc3[nH]1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZQCDTFVPWETSB-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVLRLPQCUOHCMB-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBXHMLHMLGBPH-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSDQYWPOMZZGPK-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKQFVWUCZTWDKB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIAXWJVSPYSER-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYPIBOITKCOASC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1)C3c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMUCUZDSIJPFR-IYARVYRRSA-N", "SMILES:CC(C)(C)C#Cc1cc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC[C@H](C)CC2)c(C(=O)O)s1"]}
{"name": "NS3 protease", "xref": ["CHEMBL.TARGET:CHEMBL4296313"], "id": "UniProtKB:C1KIQ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3052230"]}
{"name": "NS3 protease", "xref": ["CHEMBL.TARGET:CHEMBL4296325"], "id": "UniProtKB:Q0ZMF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:31647"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKCWULPFIVTRK-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCc1cn(Cc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLYRMKRMNOWBAV-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3c(Nc4cccc(C(=O)O)c4)c(S(N)(=O)=O)cnc3c2)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1448756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCBVVLCKTHDFDY-UHFFFAOYSA-N", "SMILES:O=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWWWKTVOBKBUFS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2nc(NC(=O)CCCOc3ccc(Cl)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDQXRVPJYDMFPZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMHKKTGCFWZUEZ-UHFFFAOYSA-N", "SMILES:CCOCCCn1c(=S)[nH]c2cc(C(=O)NCC3COc4ccccc4O3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBPDOZFRRFGWDD-UHFFFAOYSA-N", "SMILES:CCc1ccccc1Nc1ncc(-c2sc(NC(C)=O)nc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXELPYSJDRDOPY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)[nH]2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEJUJHJJZCVXBL-WEVVVXLNSA-N", "SMILES:COc1ccc(O)c(/C=C2/SC(=S)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1700355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRVHUDPMBZLKCO-UHFFFAOYSA-N", "SMILES:c1cc2[nH]c3c(c2c2nonc12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUFJJRYXHHEURW-SSDVNMTOSA-N", "SMILES:Cc1ccc(NCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KADFNFMILGHRCN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOPCMLQDWPJEY-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSHGYSCRZLGAQY-UHFFFAOYSA-N", "SMILES:O=C(NCC1COc2ccccc2O1)c1ccc2c(c1)C(=O)N(CC1=CC=CC1)C(=S)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXGPGOXTOIWCV-YRKFHGTDSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(C(=O)O)cc4CC[C@H]3[C@@H]1CC=C2n1cnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHQNUHRLBOEAM-YHZQYDDPSA-N", "SMILES:COC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTDQYIKIJKOJN-HSGJQSDISA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC=C2n1cnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIKZGJOIUJYGD-IRGTZXILSA-N", "SMILES:C[C@]12CC[C@H](n3ccnc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIKZGJOIUJYGD-RBFPJYLRSA-N", "SMILES:C[C@]12CC[C@@H](n3ccnc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICVRUCWSNYEPA-JMBQUFMHSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C[C@@H](n4ccnc4)C45CC4CC[C@]35C)[C@@H]1CC=C2n1cnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEDTVSELPTCNP-HKGZJRCASA-N", "SMILES:C[C@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSHNQSVLHSWIN-CNRUGTJDSA-N", "SMILES:C[C@]12CC[C@H](OC(=S)n3ccnc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQFSRYKPZJBHF-VJPGGQIVSA-N", "SMILES:C[C@]12CC[C@H](OCc3ccccc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXXXAZGYVFACII-ZTFSMFBVSA-N", "SMILES:CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(n4cnc5ccccc54)=CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJOOUKIWIHPTIL-CIISATOMSA-N", "SMILES:C[C@]12CC[C@H](OCc3cccnc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCWJFBXMLBWKK-CIISATOMSA-N", "SMILES:C[C@]12CC[C@H](OCc3ccncc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNPGSOQSQLUNU-DJWYHCTHSA-N", "SMILES:CC(C)C[C@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](C[C@H]1CC[C@H](C2CCCCC2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZQNUFPKJVERP-BHRDRLSISA-N", "SMILES:COc1ccc(C[C@H](NC(=O)Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPAWGWHSNRTNEP-UHFFFAOYSA-N", "SMILES:CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccncc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVCQSQEJCDJRA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cnc3ncn(C(C)c4cc5cccnc5cc4F)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFSKAXYGCVANE-LBPRGKRZSA-N", "SMILES:C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQYAYZHKYVLFJ-UHFFFAOYSA-N", "SMILES:CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXWUXXWVCWEUTA-LBPRGKRZSA-N", "SMILES:C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(C)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTKBDBAZHXSLC-UHFFFAOYSA-N", "SMILES:CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnn(C)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDGGLYIMKLRQD-UHFFFAOYSA-N", "SMILES:CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnn(CCO)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTUIZSKEFZEDR-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cnc3ncn(C(C)c4cc5cccnc5cc4F)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEBEIURWAMTGV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cnc3ncn(C(C)c4c(F)cc5ncccc5c4F)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFSKAXYGCVANE-UHFFFAOYSA-N", "SMILES:CC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1581020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFYVJIMIFVKOB-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZBQYWDYBMWGF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)cc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHOUCPXRHDFDGG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNAPSAGJDJIOU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)c(Cl)c3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDVZARGAVKYUDU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWKOPKQTNBRZJB-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDNJGCGUCMVCS-UHFFFAOYSA-N", "SMILES:Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYCQADEKMFTKC-UHFFFAOYSA-N", "SMILES:Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAWJMZJAKFIUGZ-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNODMHKRIVRESL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2sc3nnc(C)c(C)c3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTYVWGYUISLBJ-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXZKJWDFXGVKQ-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHXPFWFGRFPZFW-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODWKHQMHGCPBB-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)c2ccncc2)sc2nc(O)c3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSAZNWXBOHKCEN-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)c2ccncc2)sc2nc(OCCN3CCOCC3)c3c(c12)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZSZVRPIFTDMH-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)c2ccncc2)sc2nc(OCc3ccncc3)c3c(c12)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPCMHMJIQOTMJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(OC(F)(F)F)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCQNUEKQADFUPV-UHFFFAOYSA-N", "SMILES:COc1nn2cc(-c3c(CO)n(Cc4ccccc4Cl)c4ccc(OC(F)(F)F)cc34)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXESPDWARXTCQZ-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2c(=O)c(Cc3ccccc3)c(C)oc2c1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRBWFAGWIIHEOF-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1ccc1nonc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSDVZZIDYQDEK-UHFFFAOYSA-N", "SMILES:Cn1c2c([n+](C)c1CCl)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXOHPRHOYYETRK-UHFFFAOYSA-N", "SMILES:CCC1NCCn2cccc21"]}
{"name": "Dihydroorotase", "xref": ["CHEMBL.TARGET:CHEMBL3102690"], "id": "UniProtKB:Q81WF0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1392"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRDMALIGWIPQLM-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(CO)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKTWLIQYCHYGIT-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWCJQWQUSDYLOT-MDFOLTLVSA-N", "SMILES:CCC(/C=C/C(=O)N1CCC[C@@H]1C(=O)OC)=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGSGESRQOIRTGR-CRRPFLCLSA-N", "SMILES:CCCCC(=O)NC1(CC(=O)NNc2ccccc2)CCN(C(=O)/C=C/C(=C/c2ccc3c(c2)OCO3)CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKXBYSPOIDYTHH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWJGQJRAKWIPIQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPQBDFOGGSDCM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNYSFCMUTMQWTE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGPDMHIXCMMGW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKVEFSHLDXMIO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKUGOQNVTUTIF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXMXCFSRQIHRHB-UHFFFAOYSA-N", "SMILES:Oc1nc(-c2ccc(F)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVOHHPQIAPYHG-NRFANRHFSA-N", "SMILES:O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQBHGYBJPRSLBD-AUPHVPEJSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2cccc3ccccc23)cc1)NC(=O)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTALSQQRRNMJS-NOPVDNGVSA-N", "SMILES:COC(=O)[C@H](C)NP(=O)(Oc1ccc(C[C@H](NC(=O)c2ccc(C#N)cc2)C(=O)N[C@@H](CC(C)C)C(=O)OC)cc1)Oc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYBOZTMCOYGXLH-BNULXRPJSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(=O)(N[C@@H](C)C(=O)OCc2ccccc2)Oc2cccc3ccccc23)cc1)NC(=O)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYJXNNDSGPWNSJ-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)Nc1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEPABZXUTFEKCP-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NC(=O)CN3CCN(CCN4C(=O)c5cccc6cccc(c56)C4=O)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJFIOCLDZNLKA-CSKARUKUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4285956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDPQJAGUQQMPLI-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDDKBQSRRYOPO-UHFFFAOYSA-N", "SMILES:N=C(N)N(CCCCN1CCN(CCCCCCCOc2ccccc2)CC1)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETNGKPEELWQKP-UHFFFAOYSA-N", "SMILES:N=C(N)N(CCCCN1CCN(CCCCCCCOc2ccccc2)CC1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZDSXKHNDLLLA-UHFFFAOYSA-N", "SMILES:N=C(N)N(CCCCN1CCN(CCCCCCCOc2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGGAKUIGELBYAA-GHTZIAJQSA-N", "SMILES:COc1cc2c3c(ccc2cc1C#N)O[C@H](c1cc(F)c(F)cc1F)[C@@H](N)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGLCXGRZULZOA-VZVPTEFRSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGLCXGRZULZOA-WXDVXZIVSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@H](CCCCN)C(=O)O.Cl"]}
{"name": "Sodium- and chloride-dependent glycine transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL3060"], "id": "UniProtKB:Q9Y345", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPMJFUBODFGNB-FWPDKWGDSA-N", "SMILES:COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O)[C@@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\\C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFNZYQPWVFEMEP-NFGXINMFSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGVNDDQKJSMFK-NFGXINMFSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVSPXFSGMWZENE-SSUZURRFSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBVPLQWBKNMQV-XUJYPJAKSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLWXPSNKINPJW-SFIUMABJSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUOSKLDNVNGKRR-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAJNPCKXKPZBT-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(-c4ccc(C(C)=O)cc4)nn3)c3c(N)ncnc32)C1"]}
{"name": "Dual specificity mitogen-activated protein kinase kinase 7", "xref": ["CHEMBL.TARGET:CHEMBL4523385"], "id": "UniProtKB:Q8CE90", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXFDMGXYEIKFNZ-SNVBAGLBSA-N", "SMILES:C#Cc1nn([C@@H]2CCCN(C(=O)C=C)C2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWDVNVPXDWPXRN-IBXLPNNVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFCDTKXMUCEJG-KCAKTSIPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1COC(=O)CCCC(=O)OC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COc2ccc3ccccc3c2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYYNBMHKYFOLL-LVTWRUABSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSUUPDDPOPXFO-SNCHZGPVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWVVKIBYZCELM-ZKMNAGPKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC1=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTRBTJMWORIKP-YCSYTDECSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZDYLIUNRIXMHH-ZKMNAGPKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COc2ccc3ccccc3c2)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBLMJBXYTQRYJI-MFKDKRCASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APHDXBHETMWGOS-UHFFFAOYSA-N", "SMILES:C[n+]1c(/C=C/c2c[nH]c3ccccc23)cc(N2CCCCC2)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSYILRMQVCKHAM-UHFFFAOYSA-N", "SMILES:CC1CCN(c2cc(/C=C/c3c[nH]c4ccccc34)[n+](C)c3ccccc23)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTZNYAZPFEWIO-QXRALERCSA-N", "SMILES:C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]3[C@H]1O)C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4569309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZFMSHDJGVYLPE-MNFLSBJYSA-N", "SMILES:CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@@](O)(C(C)C)CC12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4572474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXBJMDMSTRMFRE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)c1"]}
{"name": "Ras-related C3 botulinum toxin substrate 2", "xref": ["CHEMBL.TARGET:CHEMBL4523277"], "id": "UniProtKB:Q05144", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQIVQXFEBIUJQL-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)c(-c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPZVRGWEZFYNJW-FXRUNAACSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZMZHJITSBANPP-PTQLHCGHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"name": "Olfactory receptor 51E2", "xref": ["CHEMBL.TARGET:CHEMBL4523454"], "id": "UniProtKB:Q9H255", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGUHPTGEXRHMQQ-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CCC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1882218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWNYMJKURVPFH-UHFFFAOYSA-N", "SMILES:COc1ccc(NC=O)c(C(=O)CCNC(C)=O)c1"], "chembl_natural_product": true}
{"name": "DNA repair protein RAD52 homolog", "xref": ["CHEMBL.TARGET:CHEMBL2362978"], "id": "UniProtKB:P43351", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449392", "category": ["biolink:ChemicalEntity"], "name": "CORILAGIN", "xref": ["InChIKey:TUSDEZXZIZRFGC-XIGLUPEJSA-N", "SMILES:O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4583184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGHKVWBWHSTOBP-UHFFFAOYSA-N", "SMILES:Cc1cccc([N+](=O)[O-])c1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1"]}
{"name": "Serine protease HTRA2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523137"], "id": "UniProtKB:O43464", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCWLJXOJHZAIRA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELCYJMWJPCCRA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFICGNJCPYDIKZ-UHFFFAOYSA-N", "SMILES:Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1"]}
{"name": "Serine protease HTRA1", "xref": ["CHEMBL.TARGET:CHEMBL4523419"], "id": "UniProtKB:Q92743", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNERJHYWFIOPJM-LOACHALJSA-N", "SMILES:CCCCCCCC(O)CC[C@H](NC(=O)C(C)(C)CO)C(=O)OC"]}
{"name": "Ghrelin O-acyltransferase", "synonym": ["Membrane-bound ghrelin O-acyltransferase MBOAT4"], "xref": ["CHEMBL.TARGET:CHEMBL1255134"], "id": "UniProtKB:P0C7A3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRNURYCCRPOKI-OTKIHZFJSA-N", "SMILES:CCCCCCCC(O)CC[C@H](NC(=O)C(C)(C)CO)C(=O)N[C@H](COC)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WODFTDUWTSIUTP-OLPVLWPKSA-N", "SMILES:CCCCCCCC(C)(O)/C=C/[C@@H](NC(=O)OCc1ccccc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTNIFNHLYNQCE-UIJVYQFXSA-N", "SMILES:CCCCCCCC(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPQNYASNUGYGJ-RCCKNPSSSA-N", "SMILES:CCCCCCCC(C)(O)C/C=C(/NC(=O)OCc1ccccc1)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGUBPKGOULVQD-XUDJOBQJSA-N", "SMILES:CCCCCCCC(C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQJBLNHMEVRINX-RMXWBKHOSA-N", "SMILES:CCCCCCCC(C)(O)/C=C/[C@H](NC(=O)C(C)(C)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIUJODROLDVQEQ-RVDMUPIBSA-N", "SMILES:CCCCCCCC(C)(O)/C=C/CNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMGWIUGWQXRWAJ-HSJPWVCISA-N", "SMILES:CCCCCCCC(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](COC)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMNYJXJCKYQOY-IBGZPJMESA-N", "SMILES:CCCCCCCC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WODFTDUWTSIUTP-OCEBHWSSSA-N", "SMILES:CCCCCCCC(C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)OC"]}
{"name": "Ghrelin O-acyltransferase", "synonym": ["Membrane-bound ghrelin O-acyltransferase MBOAT4"], "xref": ["CHEMBL.TARGET:CHEMBL3588729"], "id": "UniProtKB:Q96T53", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COTBDKMEUUNJTI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(=O)c3ccc(Cl)cc3Cl)cc2)n1"]}
{"name": "Phosphatidylcholine transfer protein", "xref": ["CHEMBL.TARGET:CHEMBL4523490"], "id": "UniProtKB:Q9UKL6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIHRVYRXKUSSW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(Cl)c1)C(Sc1cccc[n+]1[O-])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGXODUDXJIGXJG-GFCCVEGCSA-N", "SMILES:O=c1cc(CS[C@@H]2Nc3ccccc3O2)[nH]c(=S)[nH]1"]}
{"name": "NADH-cytochrome b5 reductase 3", "xref": ["CHEMBL.TARGET:CHEMBL4523194"], "id": "UniProtKB:P20070", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEBOGPIDFOOLF-UHFFFAOYSA-N", "SMILES:Cc1ccc(SCc2cc(=O)[nH]c(=S)[nH]2)cc1"]}
{"name": "NADH-cytochrome b5 reductase", "synonym": ["NADH-cytochrome b5 reductase 3"], "xref": ["CHEMBL.TARGET:CHEMBL2146"], "id": "UniProtKB:P00387", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPLJEDFPFRPGF-UHFFFAOYSA-N", "SMILES:O=c1cc(CSc2c(Cl)cccc2Cl)[nH]c(=S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWCRRMWVWRZDJ-XKZIYDEJSA-N", "SMILES:Cc1ccc(N2C(=O)/C(=C\\c3ccc4c(c3)-c3ccccc3C4)C(=O)NC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMMKJJSFDUJLM-WCSRMQSCSA-N", "SMILES:O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\\c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRADCISQZXKNIK-UHFFFAOYSA-N", "SMILES:CN1CC(CC2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWVBDKWTCHFFD-UHFFFAOYSA-N", "SMILES:C=CCC1C(=O)NC(=S)NC1CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWOGWDSXFBKUBU-UHFFFAOYSA-N", "SMILES:CCCCCOc1cc(=O)[nH]c(=S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQEWCNHSWALIQV-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(CCCC(F)(F)F)c3cc(-c4ccn[nH]4)ccc23)c1"]}
{"name": "Histone-lysine N-methyltransferase ASH1L", "xref": ["CHEMBL.TARGET:CHEMBL4523437"], "id": "UniProtKB:Q99MY8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWFBFCIPAKUQR-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(CC(CF)CF)c3cc(N)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODYVVQSGBLLAM-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(Nc3ccc4[nH]ccc4c3)nnc2Cl)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFRSDNDTTUISGD-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cc(OCCO)c2c(c1)C(=O)c1cccc(OCCO)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIMWRMSWXTSDB-XSNZNWEMSA-N", "SMILES:CN(C)/C=N/c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNVIHYAFKSFPJ-WOUKDFQISA-N", "SMILES:CCOc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNZGMDADQLWGW-QYVSTXNMSA-N", "SMILES:CCCOc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWAUYCMBCMGIR-IOSLPCCCSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(OCC(F)(F)F)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKBJQHUFXXOELH-JJNLEZRASA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(OCC(F)F)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFAPEYMHVHAGS-BEZAYXEJSA-N", "SMILES:CCOc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBRJJUCKUOVJRI-IWCJZZDYSA-N", "SMILES:CCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(OCC)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTXXUHWCTLDTFV-RCJVZNENSA-N", "SMILES:CCOc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQQEUVSLFSECU-UKLCIFCESA-N", "SMILES:CCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(OCC)ncnc32)[C@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKOTROGHWZHJG-QTQZEZTPSA-N", "SMILES:CCOc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXVYOLWYFZWKE-WOUKDFQISA-N", "SMILES:CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYYPLSFICPDGL-QYVSTXNMSA-N", "SMILES:C=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUHMYSFRSOXBKJ-QYVSTXNMSA-N", "SMILES:COCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGPONPOXYPGFM-IDTAVKCVSA-N", "SMILES:CN(C)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGBXKPHIGGCNS-IDTAVKCVSA-N", "SMILES:CC(C)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388757", "category": ["biolink:ChemicalEntity"], "name": "N6-BENZYLADENOSINE", "xref": ["InChIKey:MRPKNNSABYPGBF-LSCFUAHRSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4645871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQEOTLLQIVAVCU-ZDXOVATRSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(-c5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHHJVKCNCRIXRE-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCOc1cc(Cc2ccccc2)cc2[nH]c(-c3n[nH]c4cc(C(F)F)ccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LARWIZLZQUNUQG-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCOc1cc(Cc2ccccc2)cc2[nH]c(-c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXNIYGJAOPMSO-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCRRFAHXKUXTRV-UHFFFAOYSA-N", "SMILES:C#CCCOC(c1ccccc1)c1cc(OCCNC(=O)C=C)c2cc(-c3n[nH]c4cc(C(F)F)ccc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRSXKLGTUVZGF-AWEZNQCLSA-N", "SMILES:C#CC[C@H](NC(=O)c1ccc(OCC#CC)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRGRPPMZLMMPLY-INIZCTEOSA-N", "SMILES:C#CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL139702", "category": ["biolink:ChemicalEntity"], "name": "LICOAGROCHACONE A", "xref": ["InChIKey:KAZSKMJFUPEHHW-DHZHZOJOSA-N", "SMILES:C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4649760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDEJLNVLBXJWGL-KWQCDKRHSA-N", "SMILES:Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc(O)c4O)cc3[C@@H]2c2cc(O)cc(O)c2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4638367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDEJLNVLBXJWGL-KGKIMMDJSA-N", "SMILES:Oc1ccc([C@@H]2Oc3ccc(/C=C/c4cc(O)cc(O)c4O)cc3[C@H]2c2cc(O)cc(O)c2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4636682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIRIZXULSMAMOU-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccc(O)cc2)=C(Cc2ccc(O)cc2)C(=O)C1(c1ccc(O)cc1)C1(c2ccc(O)cc2)C(=O)C(Cc2ccc(O)cc2)=C(Cc2ccc(O)cc2)C1=O"], "chembl_natural_product": true}
{"name": "Protein E6", "xref": ["CHEMBL.TARGET:CHEMBL4630868"], "id": "UniProtKB:P06463", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:333761"]}
{"name": "Homeobox protein SIX1", "xref": ["CHEMBL.TARGET:CHEMBL4630826"], "id": "UniProtKB:Q15475", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGLVCZKBEMGZFY-UHFFFAOYSA-M", "SMILES:Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYVUQQPEAMHMY-UHFFFAOYSA-M", "SMILES:Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQBFRKKJVNBINT-UHFFFAOYSA-M", "SMILES:Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYYFWUFKVDFEZ-UHFFFAOYSA-M", "SMILES:Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFNIEFXPGSAIC-UHFFFAOYSA-M", "SMILES:Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIRWPEPEHAEFKN-UHFFFAOYSA-N", "SMILES:Cc1oc2c(c1C(=O)NCCCn1ccnc1)C(=O)c1ccccc1C2=O"]}
{"name": "DNA replication licensing factor MCM2", "xref": ["CHEMBL.TARGET:CHEMBL3308910"], "id": "UniProtKB:P49736", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA replication licensing factor MCM7", "xref": ["CHEMBL.TARGET:CHEMBL4630816"], "id": "UniProtKB:P33993", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVJLKAACQAJVQS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQDSBNKBWJJPD-PFNDQIBQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKCLVJDWWFJQQN-HVKVQIKGSA-N", "SMILES:Cc1ncc(C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBQXEWJSBLRJV-BNTBTUCESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWEBSYDRFXZQMF-GHIUXRNCSA-N", "SMILES:CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOEBSRSQBHSNFT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBIWQQGKHMDCL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cn(C2CCCC2)cn1)c1cc(Br)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHSXBKMORBGXGZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cnn(C2CCCC2)c1)c1cc(Br)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUFZLSUDGCPNO-UHFFFAOYSA-N", "SMILES:CCc1nc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMVJLLWQQVXLOS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQTXSQWNIVQDX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBIVDOJYQHNICX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1921985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPFIJIOIVJZMN-GOSISDBHSA-N", "SMILES:CNC(=O)c1ccc2cc([C@]3(O)CCn4cncc43)ccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4641726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOPGEUVVFSVDCS-UHFFFAOYSA-N", "SMILES:CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIJGLWFVYGGDHH-UHFFFAOYSA-N", "SMILES:CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZWLELAVBPDNB-UHFFFAOYSA-N", "SMILES:CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFOVOYRODSYDMK-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODSVVLUMZBXJD-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(B(O)O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDHHWTSAIDJURW-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(B(O)O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTNLBMBJGHQDW-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(B(O)O)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOJXENMCINZIBC-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(B(O)O)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIXDYDJPGOTVOU-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)OCc5ccc(B6OC(C)(C)C(C)(C)O6)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCJPKBAUUMNVEM-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)OCc5ccc(B6OC(C)(C)C(C)(C)O6)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPPMLSXJIQTSQL-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)OCc5ccc(B(O)O)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGNSKEVQDRSHEX-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)OCc5ccc(B(O)O)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAFMCNSNKUJTF-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CC(O)C2)ccc1OCC(O)CN1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPMBKAHROQBAF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCC(O)CN2CCCC2)cc1OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBJIPGACUJRSR-UHFFFAOYSA-N", "SMILES:C#CCCC1(CC(=O)N2CCN(Cc3cc(NC(=O)c4ccc5c(c4)CN(c4cncnc4)CC5C)cc(C(F)(F)F)c3)CC2)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWDARSLJLJJAK-UHFFFAOYSA-N", "SMILES:C#CCCC1(CCN2CCN(Cc3cc(NC(=O)c4ccc5c(c4)CN(c4cncnc4)CC5C)cc(C(F)(F)F)c3)CC2)N=N1"]}
{"name": "Protein GPR107", "xref": ["CHEMBL.TARGET:CHEMBL4630835"], "id": "UniProtKB:Q5VW38", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXESXLYKZKCWFJ-UHFFFAOYSA-N", "SMILES:CC1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQQHTGNCZYZPB-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHLQECMRXTCLE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPNJFHAPJOHPP-PUHOFUEYSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](O)(=S)O[C@H]2[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4648340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGEJZAWLMMDNEZ-SRQCOUMPSA-N", "SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(-c2cccc(OCCCc3cn(CCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)c2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYCSQSVLORGPQ-RFIMGWBHSA-N", "SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(-c2cccc(OCCCc3cn(CCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)c2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"]}
{"name": "Sterol regulatory element-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4630828"], "id": "UniProtKB:Q3U1N2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSIVFTARUYZQRR-VDKNZPKNSA-N", "SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(-c2cccc(OCCCc3cn(CCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)c2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSIGDMGYYLASQS-OGVMARDASA-N", "SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(-c2cccc(OCCCCc3cn(CCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)c2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZGJWGMLFFWSX-OEUTXLNUSA-N", "SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(-c2cccc(OCCCCCc3cn(CCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)c2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMIMHQKYQZZELH-RIYZIHGNSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)/C=C/c3ccc(Oc4ccc(-c5ccccn5)c(Cl)c4)nc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL315567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYPFJZFYKSGHCI-UHFFFAOYSA-N", "SMILES:O=C(Oc1cccc(Cl)c1)c1cc2cc(CCl)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGRNLFBHSHNZEJ-UHFFFAOYSA-N", "SMILES:O=C(Oc1cccc(Br)c1)c1cc2cc(CCl)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL87770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFQANNIQMJQPMO-UHFFFAOYSA-N", "SMILES:O=C(Oc1cccc(I)c1)c1cc2cc(CCl)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTAWKPVZONNKTJ-UHFFFAOYSA-M", "SMILES:Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBQKCCHYAOITMY-UHFFFAOYSA-N", "SMILES:Oc1ccccn1"], "synonym": ["SR-1C9"], "chembl_natural_product": true}
{"name": "Peptidyl-prolyl cis-trans isomerase FKBP5", "xref": ["CHEMBL.TARGET:CHEMBL2052031"], "id": "UniProtKB:Q13451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540", "category": ["biolink:ChemicalEntity"], "name": "IMIDAZOLE", "xref": ["InChIKey:RAXXELZNTBOGNW-UHFFFAOYSA-N", "SMILES:c1c[nH]cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1230309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLSZMDLNRCVEIJ-UHFFFAOYSA-N", "SMILES:Cc1c[nH]cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL12193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWHAWMETYGRKB-UHFFFAOYSA-N", "SMILES:O=C1CCCCN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4647257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBSHKDWWYJNGT-UHFFFAOYSA-N", "SMILES:CN(CCOS(=O)(=O)CCc1cn(CCCC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)nn1)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOUVRBRNSQRKV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(N2N=C(c3ccc(F)cc3)CC2c2cccc3ccccc23)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BACDZNLMIXNCOG-JTCWOHKRSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)cc(O)c(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4636696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDICHMLJMDMIKD-NCZFFCEISA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)C(O)=C(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWWMEDURALZMEV-NSHDSACASA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXHHEPYWMHKHC-UHFFFAOYSA-N", "SMILES:CCc1nnc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2cccc(C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNZPHXBNRWKJNJ-HUVPZRLJSA-O", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O"]}
{"name": "Testis-specific chromodomain protein Y 1", "xref": ["CHEMBL.TARGET:CHEMBL3879864"], "id": "UniProtKB:Q9Y6F8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromodomain Y-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3879857"], "id": "UniProtKB:Q8N8U2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mortality factor 4-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4630863"], "id": "UniProtKB:Q9UBU8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromobox protein homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL3779761"], "id": "UniProtKB:Q14781", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 SUMO-protein ligase CBX4", "xref": ["CHEMBL.TARGET:CHEMBL3232685"], "id": "UniProtKB:O00257", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromobox protein homolog 6", "xref": ["CHEMBL.TARGET:CHEMBL3779762"], "id": "UniProtKB:O95503", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPRJJQCGQYHSNW-UHFFFAOYSA-N", "SMILES:CCCCn1cncc1-c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGSUVKGJADJPV-UHFFFAOYSA-N", "SMILES:CCCCn1cncc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZZIHTZRDGGLZ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cncn2C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYMXWCJWOIGLL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cncn2C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZCHQCLTCGHMA-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cncn2-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBGJXRGLSOBJBC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cncn2-c2ccc(Br)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRYZCEONIWEUAV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARMWIVORGODLX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)NOCCCCCC(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFZAZKSARVIJQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NOCCCCCC(=O)NO)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTMTVSBHMPLJC-GOSISDBHSA-N", "SMILES:O=C(CCCCCCCCCc1ccccc1)O[C@H](CBr)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117021", "category": ["biolink:ChemicalEntity"], "name": "LYSOPHOSPHATIDIC ACID", "xref": ["InChIKey:WRGQSWVCFNIUNZ-GDCKJWNLSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4088081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBAGZFOXOWYGBM-MOROJQBDSA-N", "SMILES:CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJMYZRINFWPBT-PFHKOEEOSA-N", "SMILES:CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNRHGQTUACYOI-PFHKOEEOSA-N", "SMILES:CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHIDBKOPNOIIF-RQXXJAGISA-N", "SMILES:CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDCLAWQNXCGLV-PFHKOEEOSA-N", "SMILES:CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOAMFXGEGMMVGV-IBGZPJMESA-N", "SMILES:COC(=O)[C@@H](N)Cc1cn(-c2nc(Cl)nc(Nc3ccc(N4CCOCC4=O)cc3)n2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJHAIWHVOSEBD-HNNXBMFYSA-N", "SMILES:COC(=O)[C@@H](N)Cc1cn(-c2nc(Cl)nc(N3CCCCC3)n2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIZUAVMTLJDZPO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Nc2nccc(NC3CCCC3)n2)cc1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UESWSZOPRMZQLA-UHFFFAOYSA-N", "SMILES:Cc1sc2ncnc(SCC(=O)N3CC(=O)N(C)C3)c2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXPIXMLWSPGAV-UHFFFAOYSA-N", "SMILES:Cc1c(C(F)(F)F)oc2ncnc(SCC(=O)N3CC(=O)N(C)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVWIHZLURKNRGK-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZIPUZIGQUMCP-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)c(F)c1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBAAKDRVMWYNG-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPPURWNTGIOEI-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(F)c1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYNPERWFJZWOT-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccccc1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDYNWNCAFBCMN-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(F)c1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMKDMJHVAHEMLT-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLLHWBDYURCODG-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDVRQTYAHCQVMP-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDTYSNASFRJKU-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)c(Cl)c1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXIUQXHNQTVRMX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc3c(c2)OCO3)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHXJRREXLTTIW-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOSBQCAIBFCMC-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNCFCUHRNOSCN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)NC(CN1CCOCC1)C(O)c1ccccc1"]}
{"name": "Lysosome-associated membrane glycoprotein 2", "xref": ["CHEMBL.TARGET:CHEMBL4630812"], "id": "UniProtKB:P17047", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRZGOOJGKLIRL-JCZFEVJLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUZPYOIRGMDNL-RKJUICQESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSLQPLTCBREJG-ZEUROUSCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCFEBGJVRTWAY-ZEUROUSCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAHPFAXSKDPUGZ-VBFPKMDTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBGSDAUOVDSHM-UHFFFAOYSA-N", "SMILES:C#CCOC(=O)C1(C)c2[nH]c3ccccc3c2CCN1C(=O)CCl"]}
{"name": "Protein disulfide-isomerase", "xref": ["CHEMBL.TARGET:CHEMBL4630809"], "id": "UniProtKB:P05307", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPLGIMQNNBLBPS-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1ccc2[nH]c(CC(C)C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMBPKVAAYUHIGZ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cc(O)c(O)c(O)c2)c2ccc(O)c(O)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMGVDLHIAPOJO-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(=O)Oc3c2ccc(O)c3O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRQNGMOMCQMMDB-NNZMDNLPSA-N", "SMILES:COc1cc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2nc3c(Cl)cccc3s2)cc(OC)c1OC"]}
{"name": "C-X-C chemokine receptor type 6", "xref": ["CHEMBL.TARGET:CHEMBL5994"], "id": "UniProtKB:O00574", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYNRRGPKLCYGJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCc1c[nH]c2c1C(=O)C(c1cccnc1)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOIDURPHCVSHLE-MHZLTWQESA-N", "SMILES:CCn1nnc2c(C)c([C@@H](CC(=O)O)c3ccc4c(c3)CN(C(=O)c3c(C)c(C)cc(C)c3C)CC4)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAAAKTMFQOCQAD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)=NN2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDNMOTXXYDEKH-UHFFFAOYSA-N", "SMILES:Brc1ccccc1C1CC(c2c[nH]c3ccccc23)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKROTZTWUTZKN-RDRPBHBLSA-N", "SMILES:O=C1CN(/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIYYUTVRKWENFL-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(OCCN3CCCC3)cc2oc2cc(OCCN3CCCC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYUDJPGSULLWAS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2cc(CCCOS(=O)(=O)c3ccc(C)cc3)nn2)cc1"]}
{"name": "26S proteasome non-ATPase regulatory subunit 10", "xref": ["CHEMBL.TARGET:CHEMBL2331054"], "id": "UniProtKB:O75832", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBRAOJTXFKEFEW-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)OCCCc2cn(-c3ccc(C(=O)OC)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLOBTSSWHLTIE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2cc(CCCOS(=O)(=O)c3ccc(OC)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDPOINJZJAHHHK-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2cc(CCCOS(=O)(=O)c3ccc(C#N)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVYIFFBZUBZBDN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2cc(CCCOS(=O)(=O)c3ccc(C(=O)OC)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCBSUCQEYUDKJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2cc(CCCOS(=O)(=O)c3cccc(C#N)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAUJPGKGICVRNV-WOJGMQOQSA-N", "SMILES:COc1ccc(S(=O)(=O)N/N=C(\\C)c2nc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDDZDATCIKPCU-UHFFFAOYSA-N", "SMILES:CCOc1cc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)C4CCN(C)CC4)cc3s2)cc1-n1cccn1"]}
{"name": "Protein Gpr81", "synonym": ["Hydroxycarboxylic acid receptor 1"], "xref": ["CHEMBL.TARGET:CHEMBL2146353"], "id": "UniProtKB:G3V906", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVMPPRFBOTMMO-UHFFFAOYSA-N", "SMILES:CCOc1cc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(CN4CCN(C)CC4)cc3s2)cc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLUMNMLJWXNQCA-XFFJOWCWSA-N", "SMILES:CC[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)NC(=C(C)C)c2nc3ccccc3c(=O)n21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4646363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEWGHFCCTGMGGN-SQSVJPPKSA-N", "SMILES:CC(C)=C1NC(=O)[C@@H](C[C@]2(O)c3ccccc3N3C(=O)[C@H](C(C)C)N[C@H]32)n2c1nc1ccccc1c2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4635254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWUHTJIKQZZBRA-UHFFFAOYSA-N", "SMILES:Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDCSLAQSOIIRI-RMGTVLPZSA-N", "SMILES:C=C(C#Cc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4173326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFHZVPRFLHEBR-KETROQBRSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1096940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZVSHXUUSIQWSO-CECMFTGFSA-N", "SMILES:COc1cc(O)c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1C/C=C(\\C)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL380456", "category": ["biolink:ChemicalEntity"], "name": "(+/-)-MORACIN P", "xref": ["InChIKey:QFUCSEIKNTUPPA-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2cc3oc(-c4cc(O)cc(O)c4)cc3cc2CC1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL205924", "category": ["biolink:ChemicalEntity"], "name": "MORACIN O", "xref": ["InChIKey:HMTMYIWMPJSCAZ-UHFFFAOYSA-N", "SMILES:CC(C)(O)C1Cc2cc3cc(-c4cc(O)cc(O)c4)oc3cc2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4648427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJJWBJFYYRAYKU-JGSKXVKLSA-N", "SMILES:CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@@H](C1)[C@H]23"], "chembl_natural_product": true}
{"name": "Sarcoplasmic/endoplasmic reticulum calcium ATPase 1", "xref": ["CHEMBL.TARGET:CHEMBL3585236"], "id": "UniProtKB:Q64578", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHBZVSVLIBGGO-UUWRZZSWSA-N", "SMILES:Cc1cc2c3c(c1)-c1c(O)cc(-c4cc5ccc(O)cc5o4)cc1O[C@@]3(c1ccc(O)cc1O)Oc1cc(O)ccc1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4638841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKERXAQSXFSAIU-GVDBMIGSSA-N", "SMILES:Cc1cn([C@H]2C[C@H](n3cc(COc4ccc(S(N)(=O)=O)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANMYUWSZBHSHY-YTFSRNRJSA-N", "SMILES:Cc1cn([C@H]2C[C@H](n3cc(C[Se]c4ccc(NC(=S)Nc5cccc(S(N)(=O)=O)c5)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COGUZYALRYMQTD-LJQANCHMSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMLWIABJRSYZDK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CC4)nc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNZBHMPQIUISX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(S(C)(=O)=O)c23)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTQPVROBQJMCQD-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2ncc3c2C(=O)c2ccccc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQZRZYHRTZRQE-UHFFFAOYSA-N", "SMILES:c1ccc2c(N3CCCC3)cc(-c3ccc4c(c3)OCO4)nc2c1"]}
{"name": "5-demethoxyubiquinone hydroxylase, mitochondrial", "synonym": ["NADPH-dependent 3-demethoxyubiquinone 3-hydroxylase, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL4630851"], "id": "UniProtKB:Q99807", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZKXCQQNNYURRI-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nn(CC(=S)Nc3cccc(C#N)c3)cc2-c2ccnc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJQBMKJGPGWHCD-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1ccc(NC(=O)NCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJWICBGFGQVML-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)NCc2ccnc(-n3ccnc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBAAWQBTGSVGH-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2-c2nc3ccccc3c(=O)n2-c2c(O)cccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4641284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSXSZUXNIHKFJ-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2-c2nc3ccccc3c(=O)n2-c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4640197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLHPEKHAAPTGM-HSGBFHSBSA-N", "SMILES:Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4633384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSVWJONQWKXJY-BMZZKGLRSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@H](CO)[C@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4638898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCIYHPKJPRAIQ-BBXSYUKCSA-N", "SMILES:CC(=O)OC[C@H]1O[C@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4632554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFWPHLTBAFAAA-FJGOKHBRSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](O)[C@@H](Oc2cccc3c2C(=O)c2c(O)cc(C)cc2C3=O)O[C@@H]1CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4538666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNRZJPQTMQZBCE-SFHVURJKSA-N", "SMILES:Nc1cc(COc2c(Cl)cc(C[C@H](N)C(=O)O)cc2Cl)c2oc(-c3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCNDGNXMQOEIIO-WDYNHAJCSA-N", "SMILES:CC(C)CCN1CCN([C@@H](CNCc2ccccc2)CC2CCCCC2)C[C@@H]1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATEVVOZVELYRHJ-WAYWQWQTSA-N", "SMILES:CCCC/C=C\\CCCCCCCCCCCc1cc2cc(O)ccc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3335793", "category": ["biolink:ChemicalEntity"], "name": "AZD3965", "xref": ["InChIKey:PRNXOFBDXNTIFG-FQEVSTJZSA-N", "SMILES:Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)N1C[C@](C)(O)CO1)c(=O)n(C)c(=O)n2C(C)C"], "synonym": ["Azd 3965", "Azd3965", "AZD-3965"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQERVFFAOOUFEQ-UHFFFAOYSA-N", "SMILES:O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGRRMPPXCRRIM-UHFFFAOYSA-N", "SMILES:Cl.O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOCAPALWRHKCU-UHFFFAOYSA-N", "SMILES:Cl.Cl.Fc1cc(-c2cccc3ncc(-c4cnn(C5CCNCC5)c4)nc23)cc(F)c1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHBBHALQAGCJU-OAHLLOKOSA-N", "SMILES:O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(C(F)(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXYMWBMIJVYML-QGZVFWFLSA-N", "SMILES:Cc1ccnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVJSRAMULDASL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1ncc2c1CCCC2NC(=O)c1noc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWESJWBFVAWPJT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2ncc3c2CCCC3NC(=O)c2noc3c2CCCC3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDYESQZZZLIFZ-MRXNPFEDSA-N", "SMILES:O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ncn2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKFYXPVYBZXGSY-MRXNPFEDSA-N", "SMILES:O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1onc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVQPQLKFUOFZLS-OAHLLOKOSA-N", "SMILES:O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGACTSAOCINRLN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWPWGCSEEUQWCP-UHFFFAOYSA-N", "SMILES:Clc1ccc(SSc2nccs2)cc1"]}
{"name": "Fructose-1,6-bisphosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL5360"], "id": "UniProtKB:Q9QXD6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPDXBXSBWNOGC-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)CC[n+]1cc3c(OC)cccc3cc1-2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONYBLSJNSYWKQ-UHFFFAOYSA-N", "SMILES:Cc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O"]}
{"name": "B-cell CLL/lymphoma 7 protein family member A", "xref": ["CHEMBL.TARGET:CHEMBL4630829"], "id": "UniProtKB:Q4VC05", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "B-cell CLL/lymphoma 7 protein family member B", "xref": ["CHEMBL.TARGET:CHEMBL4630852"], "id": "UniProtKB:Q9BQE9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBXCPFNNNZUANE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQYPCSCHJLEMK-ZRWFULMCSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGNFHNSQLHLNGM-ZVDJGGDGSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOLRGGUSHTQBO-MOMZPUTJSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(N)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLVFJUIGXOLSTO-ULIFNZDWSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)C(C)(C)Oc2ccc(CCOc3ccc(/N=N/c4ccccc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNSDVFSJZDIAC-ULIFNZDWSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)C(C)(C)Oc2ccc(CCOc3ccc(/N=N/c4ccccc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQDOFZHUXFGEA-ULIFNZDWSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKARDNHHQOWHC-QNEJGDQOSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSOVKRBRSJUMNE-XAHDOWKMSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)NC(=O)C(C)(C)Oc2ccc(CCOc3ccc(/N=N/c4ccccc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOLLWGWRWQKZIF-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(NC(=O)c3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXRHFHMEUTXQC-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(NC(=O)Nc3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSPPHPGXBIFQMT-MUARENPFSA-N", "SMILES:CC(=O)O[C@@]12[C@H](OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOSYRDLBQQSTRD-NJBYCPCBSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBDBDHQRPZVQA-RGVVVCOBSA-N", "SMILES:CC(=O)O[C@@]12[C@H](OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYQSMHULEUWCCI-PJPRJNQGSA-N", "SMILES:CC(=O)O[C@@]12[C@H](OC(=O)CCCCCCCCCCCNC(=O)[C@@H](N)CC(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRJLNFWLTBGCJQ-QRJOEMBSSA-N", "SMILES:Cc1cccc(C)c1NC(=O)CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHCMNLOONICSN-XYURVEJXSA-N", "SMILES:Cc1ccc(NC(=O)CCN2CC[C@@]3(C)c4cc(O)ccc4C[C@@H]2[C@@H]3C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQEZKZWQQNTWBH-YPAAYVHUSA-N", "SMILES:CCc1cccc(C)c1NC(=O)CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGNUFLUEYYNYCK-POCHDABASA-N", "SMILES:C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVKRGZALEHLJFM-XYURVEJXSA-N", "SMILES:Cc1ccc(C)c(NC(=O)CCN2CC[C@@]3(C)c4cc(O)ccc4C[C@@H]2[C@@H]3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGFVCNVVQUXKEW-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)n(CCCCOc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLNUVFAGJPPYLF-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPIBZLDZIFEUBZ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)n(CCOc2ccccc2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJXAJPZJNHLPQW-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)n(CCCOc2ccccc2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHGGIYYVZFWOGJ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)n(CCCCOc2ccccc2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTZSBZVBVUATC-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)c(O)c2)n(CCCOc2ccccc2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFIRSWXXKRPOS-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)c(O)c2)n(CCCCOc2ccccc2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUGDSZFLAKVUEC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQUOSIOGVTWRBG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCc3ccc(F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYVUOBQUWIKOI-IGZKKZBOSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)/C=C/c1cccn1Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCJMZNNLMBJRX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2cn(Cc3ccc(F)cc3)cc2-c2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFTHOJCUJHBJLJ-ABVUEGDBSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQADLGQGBOMIPT-RWNQQKCBSA-N", "SMILES:C[C@H](CC#N)[C@H]1CC[C@H]2[C@@H]3C[C@](C)(O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQADLGQGBOMIPT-HPBJGNKZSA-N", "SMILES:C[C@H](CC#N)[C@H]1CC[C@H]2[C@@H]3C[C@@](C)(O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKPRJPQIFWRBP-RGOVMONESA-N", "SMILES:CC[C@]1(O)C[C@H]2[C@@H]3CC[C@H]([C@H](C)CC#N)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKPRJPQIFWRBP-INXJKHCVSA-N", "SMILES:CC[C@@]1(O)C[C@H]2[C@@H]3CC[C@H]([C@H](C)CC#N)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZWSODRCEGYKIW-HHZNOXSWSA-N", "SMILES:C=CCCC[C@]1(O)C[C@H]2[C@@H]3CC[C@H]([C@H](C)CC#N)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGTAJHWETJSCHX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2ccccc2)csc1NC(NC(=O)CC)C(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIMZTYKMAZTPB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2ccccc2)csc1NC(NC(=O)c1ccccc1)C(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPDVDSOPQVXVHS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2ccccc2)csc1NC(NC(=O)c1cccc(Cl)c1)C(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNNQIKYXYUNXIZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2ccccc2)csc1NC(NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWACDQMFZYACHG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2ccccc2)csc1NC(NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLMRPSNOACZTQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2ccccc2)csc1NC(NC(=O)c1ccco1)C(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVLWUBJYTUPLS-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQUPLLXFABRCF-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCc2ccccc21)c1cnn2c(C(F)F)cc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOSGFDVULNKBGD-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCc2ccccc21)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFOIPQOXRIZFAE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCc2ccccc21)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXDATRKLOYVTC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)c(-c3ccc(OCC=C(C)C)c(OCC=C(C)C)c3)coc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4595091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONBBZBHVTHJZJD-AZGAKELHSA-N", "SMILES:COc1cc(OC)cc([C@@H]2[C@@H](C(=O)NCCNCc3ccccc3)CCC(=O)N2CC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONBBZBHVTHJZJD-RSXGOPAZSA-N", "SMILES:COc1cc(OC)cc([C@H]2[C@H](C(=O)NCCNCc3ccccc3)CCC(=O)N2CC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVRDGGQTTLYVDA-UHFFFAOYSA-N", "SMILES:O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cc(NC(=S)NCCOCc3cn(-c4cccc(S(=O)(=O)Nc5ccccc5C(F)(F)F)c4)nn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWZTUNNKHOCSIR-NZJQYAJQSA-N", "SMILES:CC[C@@]1(OC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEAPDMMRAONSOX-HUGLKQIJSA-N", "SMILES:C[C@H]1[C@H](OCCc2ccc(O)cc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPXSBXNQZFDAMR-NCOQDCJCSA-N", "SMILES:COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLMQBMHJODJBGV-VKSSPYSOSA-N", "SMILES:C[C@H]1[C@H](OC(=O)CCC(=O)OCCc2ccc(O)cc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMBDMDQRKQZSM-VKSSPYSOSA-N", "SMILES:C[C@H]1[C@H](OC(=O)CCC(=O)Oc2ccc(CCO)cc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRTNYSQQHNLKOC-IANRLLHFSA-N", "SMILES:CCc1c2c(nc3ccc(OC(=O)CCC(=O)O[C@@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@@]57OO6)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSGYLFZUMNXFMH-CAOOACKPSA-N", "SMILES:O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1P(=O)(O)O"]}
{"name": "14-3-3 protein zeta/delta", "xref": ["CHEMBL.TARGET:CHEMBL4105899"], "id": "UniProtKB:P63104", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTPJBCVBRJVPL-VCHYOVAHSA-N", "SMILES:O=C(N/N=C/c1cccc(Br)c1)c1cc2c(s1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFAROEDAIDJVQW-DJKKODMXSA-N", "SMILES:O=C(N/N=C/c1cccc(Cl)c1Cl)c1cc2c(s1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONKRRXMFUNAJI-CCIJQOLZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZLSIQJKDICEC-YZZAGUQTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVKXCISQWPUKB-IGHJTHJISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303782", "category": ["biolink:ChemicalEntity"], "name": "ZOTATIFIN", "xref": ["InChIKey:QYCXWOACFWMQFO-WZWZCULESA-N", "SMILES:COc1cc2c(c(OC)n1)[C@]1(O)[C@H](O)[C@H](CN(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2"], "synonym": ["Zotatifin", "Zotatifine", "Zotatifina", "Eft226", "Zotatifin", "EFT-226", "EFT226", "Zotatifin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAJWCHANQMLIT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1n[nH]c2c1C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1450050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZINRMOBBDTHSS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N(C)C)o2)cc(OC)c1OC"]}
{"name": "Exportin-1", "xref": ["CHEMBL.TARGET:CHEMBL4630873"], "id": "UniProtKB:P30822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL674", "category": ["biolink:ChemicalEntity"], "name": "OSELTAMIVIR CARBOXYLATE", "xref": ["InChIKey:NENPYTRHICXVCS-YNEHKIRRSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O"], "synonym": ["Oseltamivir acid", "Oseltamivir acid, (-)-", "Oseltamivir carboxylate", "Oseltamivir free acid", "GS 4071", "GS-4071", "GS4071", "RO-64-0802", "RO-640802"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3311217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJRLXYVGODKDLM-QRNSNYTOSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWKUGNALHCOUQE-OCBIZMEBSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4649026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSJHYDAXWVGMQM-KQVZFPEISA-N", "SMILES:C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTLKZNAWAMORA-HICKBLNCSA-N", "SMILES:C[C@H](CCC1OC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAIMVUYNFPDLKC-JHVDPWIRSA-N", "SMILES:C[C@H](CCCO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3"]}
{"name": "Sterol regulatory element-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4630818"], "id": "UniProtKB:P36956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVSOZLKHUAKFF-REEZCCHISA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639024", "category": ["biolink:ChemicalEntity"], "name": "APOMINE", "xref": ["InChIKey:YLJOVCWVJCDPLN-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"], "synonym": ["Apomine", "SR 9223I", "SR-45023A", "SR-9223I"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4642264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEWGFBGGWFYYNM-UHFFFAOYSA-N", "SMILES:CCCc1c(C)nc2c3ccccc3oc(=S)n12"]}
{"name": "RNA demethylase ALKBH5", "xref": ["CHEMBL.TARGET:CHEMBL3621037"], "id": "UniProtKB:Q6P6C2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGYBLMVBSSQZRI-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2cc3[nH]c4ccccc4c3c(C=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAWWWOFUKPBPQJ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cnc3sc(-c4ccnc5[nH]ccc45)cc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGFVZBTNKODFQ-LURJTMIESA-N", "SMILES:C[C@H](O)c1cc2c(o1)C(=O)c1cccc(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL611052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCXAMWUYPZVFL-LURJTMIESA-N", "SMILES:C[C@H](O)c1cc2c(o1)C(=O)c1c(O)cccc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4643733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUICDDCLDBHMCH-UHFFFAOYSA-N", "SMILES:O=C(On1nnc2ccccc21)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231884", "category": ["biolink:ChemicalEntity"], "name": "DIOSMIN", "xref": ["InChIKey:GZSOSUNBTXMUFQ-YFAPSIMESA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O"], "synonym": ["Diosmin", "Diosmin", "Diosmin", "Diosmine", "Diosmina", "Barosmin", "Buchu resin", "Daflon", "Diosmetin 7-rutinoside", "Diosmin", "Diosven", "Dioven", "Flebaven", "Flebavena", "Flebosmil", "Flebosten", "Hemerven", "Insuven", "Litosmil", "Tovene", "Varinon", "Ven-detrex", "Venosmine", "NSC-758417", "Diovenor", "Diosmin", "Hesperidin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4644112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBUGICUKQIKTJ-VQDSAXESSA-N", "SMILES:CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4637629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKDHCHKMCIGARA-KMYJDXOISA-N", "SMILES:CCCCCCC/C=C/C(=C/[C@H]1[C@H](C(=O)O)[C@H](CCCCCCC)C=C(COC(C)=O)[C@@H]1/C=C/C(=O)O)COC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4644049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIKCQNROWZXPE-JDLQQGKWSA-N", "SMILES:CCCCCCC[C@@H]1[C@@H](/C(=C/C=C/C(=O)O)COC(C)=O)[C@@H](/C=C/C(=O)O)C(CO)=C[C@H]1CCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4634430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKMKHYQKKHVRS-JDLQQGKWSA-N", "SMILES:CCCCCCC[C@@H]1[C@@H](/C(=C/C=C/C(=O)O)CO)[C@@H](/C=C/C(=O)O)C(COC(C)=O)=C[C@H]1CCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4646384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKMKHYQKKHVRS-RSDRSIFPSA-N", "SMILES:CCCCCCC[C@H]1[C@H](/C(=C/C=C/C(=O)O)CO)[C@@H](/C=C/C(=O)O)C(COC(C)=O)=C[C@H]1CCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4640861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVYQCRGWIFNXAY-FLNDZFBMSA-N", "SMILES:CCCCCCC[C@@H]1[C@@H](/C(=C/C=C/C(=O)O)COC(C)=O)[C@@H](/C=C/C(=O)O)C(COC(C)=O)=C[C@H]1CCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4633514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVYQCRGWIFNXAY-WDYABPQDSA-N", "SMILES:CCCCCCC[C@H]1[C@H](/C(=C/C=C/C(=O)O)COC(C)=O)[C@@H](/C=C/C(=O)O)C(COC(C)=O)=C[C@H]1CCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4637348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXLPQBYPUBYEJ-BRJLIKDPSA-N", "SMILES:Cc1cccc(Nc2nc3nonc3nc2N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPCKOKYSVPFEB-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVKFPTGOELWLAI-DHRITJCHSA-N", "SMILES:CCOC(=O)c1ccc(Nc2nc3nonc3nc2N/N=C/c2c[nH]nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYWRLIRHVRFGG-OPEKNORGSA-N", "SMILES:Cc1ccc(-c2ccc(/C=N/Nc3nc4nonc4nc3Nc3ccc(Br)cc3)o2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJMURTHIPWRIMC-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQXDFRDKAUUILW-YJXWTMGESA-N", "SMILES:NC(=O)[C@@H]1CCCCn2cc(nn2)C[C@H](N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMIBJSUFJQBBIN-XGRAHALTSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUUQOUWBANPBHH-BTVISFFRSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTHMPQUVNCDCH-MIHSEBAHSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQOOVKLRGPULX-BTVISFFRSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGMYFABWQCNIGQ-PLSQGSQHSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIVTQZEAXZEPQ-YQNAEXRPSA-O", "SMILES:CCN(CC)c1ccc2c(-c3ccccc3C(=O)N(C)CCCC(=O)N[C@H]3Cc4cn(nn4)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQSZVTLMNLKSAG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(=O)NCCN)c2cc(C(=N)N)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZAVGHCOORPKF-UHFFFAOYSA-N", "SMILES:CC(CN)Nc1cccc2cc(C(=N)N)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPDCDACLUDSPR-UHFFFAOYSA-N", "SMILES:CC(CN)Nc1cc(CS)cc2sc(C(=N)N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXABOLLAJZFHEL-UHFFFAOYSA-N", "SMILES:N=C(N)c1cc(-c2ccccc2)c(-c2c[nH]cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKXKLNDBLNTSW-CALCHBBNSA-N", "SMILES:O=C(CCCCCc1ccccc1)N[C@H]1CC[C@@H](O)CC1"]}
{"name": "Mitofusin-2", "xref": ["CHEMBL.TARGET:CHEMBL4630807"], "id": "UniProtKB:O95140", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKXKLNDBLNTSW-QAQDUYKDSA-N", "SMILES:O=C(CCCCCc1ccccc1)N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHSPJECJBAUWJZ-QAQDUYKDSA-N", "SMILES:O=C1c2ccccc2CN1[C@H]1C[C@H](c2nnc(-c3ccncn3)n2-c2ccccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGRDFCUVHVIYHE-WKILWMFISA-N", "SMILES:N#Cc1ccc2c(c1)[nH]c(=O)n2[C@H]1C[C@H](c2nnc(-c3ccncn3)n2-c2ccccc2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNRZMIPPXBMLY-IYBDPMFKSA-N", "SMILES:N#Cc1ccc2c(c1)[nH]c(=O)n2[C@H]1C[C@@H](c2nnc(-c3ccncn3)n2-c2ccccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHPBBMMMLWAJY-UHFFFAOYSA-N", "SMILES:CCCCN1C(=O)C(C(=O)NC23CC4CC(CC(C4)C2)C3)=C(O)C2C1C=NN2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYYIZMRYZOIJI-UHFFFAOYSA-N", "SMILES:N=C(N)NCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMZYKRSGHWAYAR-XTJXQDSVSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cnnn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGUAGSBIVGQKJF-IXPLNZAYSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cnnn6)(c6ccc(Cl)cc6Cl)O5)cn4)CC3)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOAKYLZGEHLEMW-YTQLCDCXSA-N", "SMILES:CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cnnn6)(c6ccc(Cl)cc6Cl)O5)cn4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHVRZAPIGZLQHQ-AJWVYOOVSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)[C@H](C)NC(=O)C(F)Cl)cc1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVOCYIBHTILBGZ-UHFFFAOYSA-N", "SMILES:C#CCCN(C)CCN(C)c1cc(OC)c(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKFRDDQCHRDGX-KCHZNAQISA-N", "SMILES:C#CCCN(C)CCN(C)c1cc(OC)c(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4ccccc34)n2)cc1NC(=O)[C@H](C)NC(=O)C(F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLKUTPSFHQUWLD-IRXDYDNUSA-N", "SMILES:CNC(=O)[C@H](CC1CCN(C(=O)c2cc(C(C)(C)C)nn2C)CC1)NC(=O)[C@@H]1CCCC(=O)N1"]}
{"name": "N-alpha-acetyltransferase 50", "xref": ["CHEMBL.TARGET:CHEMBL4630854"], "id": "UniProtKB:Q9GZZ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFLGRBSBZONAM-DZKIICNBSA-N", "SMILES:CNC(=O)c1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2C(=O)c2ccc(-c3nn[nH]n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPIIQGDIGOYOH-CEMLEFRQSA-N", "SMILES:CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](N3CC(OC4CC4)C3)CC2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWZVWZMMSGDROT-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(Nc3nc(NCc4cccc(S(=O)(=O)F)c4)ncc3Cl)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVCMPVIJOIVJD-UHFFFAOYSA-N", "SMILES:CNC(=O)COc1cc2cc(Nc3nc(NCc4cccc(S(=O)(=O)F)c4)ncc3Cl)cc(OC)c2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHIBYHLBQEIQK-XGCWNURASA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL308333", "category": ["biolink:ChemicalEntity"], "name": "ACTINONIN", "xref": ["InChIKey:XJLATMLVMSFZBN-VYDXJSESSA-N", "SMILES:CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C"], "chembl_natural_product": true}
{"name": "Peptide deformylase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4647"], "id": "UniProtKB:Q9HBH1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUJCTEUFCIPDCG-GOTSBHOMSA-N", "SMILES:N=C1NC[C@H](CC2CCCCC2)N1C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1"]}
{"name": "Serine/threonine-protein kinase LMTK3", "xref": ["CHEMBL.TARGET:CHEMBL4523432"], "id": "UniProtKB:Q96Q04", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHQLOWZTUQURP-RCCKNPSSSA-N", "SMILES:COc1ccc(/C(=C/c2ccccc2)CC(=O)N(C(C)C)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQIJLHZEPPNDQL-YYADALCUSA-N", "SMILES:COc1ccc(/C(C)=C(\\CCCC(=O)NCCc2ccccn2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAZHTIMUMJKNDH-HEHNFIMWSA-N", "SMILES:CCCCCN(C)C(=O)C/C(=C\\c1ccccc1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHIIHUVANQDKB-NJNXFGOHSA-N", "SMILES:COc1ccc(/C(C)=C(\\CCCCCC(=O)N2CCCC2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOQGYZWUAQINOT-HIXSDJFHSA-N", "SMILES:CCCCN(C)C(=O)CCC/C(=C(/C)c1ccc(OC)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNSWRKEJXWIQO-XTCLZLMSSA-N", "SMILES:CCCCN(C)C(=O)CCCCC/C(=C(/C)c1ccc(OC)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDBADAYLBBJJX-WPMUBMLPSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNVQJJHHRQWSW-HPMAGDRPSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"name": "Neuromedin-U receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3351217"], "id": "UniProtKB:Q8BZ39", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWOGXMATVVKZOA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKMGEQBYKFXLS-RUDMXATFSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASUBNTZHTFZCMQ-AYHCWQHMSA-N", "SMILES:C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(OCc3cn(-c4cc5ccc(O)cc5oc4=O)nn3)cc2)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFHVYJYZXKGMDF-UHFFFAOYSA-N", "SMILES:CC(c1ccc(C(=O)N2CCc3cc(C(C)(C)C)ccc32)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTNFCFIQPMKAS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(CN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDCHEJJWHSXQFS-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C)c(O)c(Cc2[nH]c3ccccc3c2Cc2c(O)c(C)cc(C(C)=O)c2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZGSVFYNBZVIK-HVAZQVTGSA-N", "SMILES:CC(=O)NC1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@@H]2O)(C(=O)O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4648995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBILEXHGJAGPLF-TWFREJTOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVWSKCKUSBUMJS-UIRCOLITSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCCNCC[C@H](N)C(=O)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKLSZWVVODVCF-HXJPVCIYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCCN)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKYUZKRATKVVAH-IDBCYKCNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGZUEBSGUQPGC-JREFTPJBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDSWQNMLLRDDE-FEZLTFFESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGULCRVBNXUFMQ-JCOPYZAKSA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(CN)cc1)c1ccc(OCc2ccccc2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLDGSREBIUICI-YCBFMBTMSA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(NC(=N)N)cc1)c1ccc(OCc2ccccc2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPWTWAHHMNJBR-XLQCLRHOSA-N", "SMILES:N=C(N)Nc1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZWJBKUVHJSHAR-UHFFFAOYSA-M", "SMILES:C[N+](C)(C)CCSS(C)(=O)=O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCUYXLBRVNJHG-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-n1sc(=O)n(Cc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIZXDHFJZGCMH-HXUWFJFHSA-N", "SMILES:O=C1CN(C2CCCC2)[C@H](c2ccccc2)c2cc(I)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1618254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWTZPSULFXXJA-SECBINFHSA-N", "SMILES:COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4636993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVWTPNEVTYLQC-UHFFFAOYSA-N", "SMILES:NCCc1cc(S(N)(=O)=O)ccc1Oc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZPDOKGNIPUKF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)c(CN2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVIGXEOVBNMTRW-UHFFFAOYSA-N", "SMILES:NCCN1CCN(Cc2cc(S(N)(=O)=O)ccc2Oc2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAYILTVNBZXSW-QFIPXVFZSA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVRJQVKNLCXEZ-UHFFFAOYSA-N", "SMILES:CCOC(CN1C(=O)C(NC(=O)Nc2ccc(C)cc2)(C(F)(F)C(=O)Nc2ccc(C)cc2)c2ccccc21)OCC"]}
{"name": "Gasdermin-D", "xref": ["CHEMBL.TARGET:CHEMBL4523446"], "id": "UniProtKB:Q9D8T2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Caspase-1", "xref": ["CHEMBL.TARGET:CHEMBL4800"], "id": "UniProtKB:P29452", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Caspase-4", "xref": ["CHEMBL.TARGET:CHEMBL1075276"], "id": "UniProtKB:P70343", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJMKDEGQDAVFGT-QMMMGPOBSA-N", "SMILES:C[C@@H](c1cc(Cl)ccc1Cl)n1ncc2nc(-n3cc(C(=O)O)cn3)[nH]c(=O)c21"]}
{"name": "Egl nine homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL3638322"], "id": "UniProtKB:P59722", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POEQJXMZRAIOBX-UHFFFAOYSA-N", "SMILES:CCCCCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3883497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIULWNKTYPZYAN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4647690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZZKBTLTKOUWQV-RMKNXTFCSA-N", "SMILES:CCCC(O)CC(=O)/C=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTEFAUQMGMGITM-VMPITWQZSA-N", "SMILES:CCCC(O)CC(=O)/C=C/c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBZJGDTULRAEEA-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)C#Cc1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDFVCZOVTYRGE-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#Cc1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDFVCZOVTYRGE-CYBMUJFWSA-N", "SMILES:CCCCC[C@@H](O)C#Cc1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDFVCZOVTYRGE-ZDUSSCGKSA-N", "SMILES:CCCCC[C@H](O)C#Cc1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402978", "category": ["biolink:ChemicalEntity"], "name": "GINGEROL", "xref": ["InChIKey:NLDDIKRKFXEWBK-AWEZNQCLSA-N", "SMILES:CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1"], "synonym": ["(6)-gingerol", "(6)-gingerol", "6-gingerol", "C17-h26-o4", "Gingerol", "[6]-gingerol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2112315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDAEUIGIJZUAY-UMIRZPQISA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4(/C=C/C(=O)OCC)CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAVRHILPUHUKOZ-UHFFFAOYSA-N", "SMILES:Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXWJOSNIOMYQMS-UHFFFAOYSA-N", "SMILES:C[N+]1=C(/C=C/C=C/C=C2\\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMQKCGRFSSLTDY-UHFFFAOYSA-N", "SMILES:CC1(C)C(/C=C/C=C/C=C2\\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRKGMBXLTYRDJR-UHFFFAOYSA-N", "SMILES:CC1(C)C(/C=C/C=C/C=C2\\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHITTXFPZXWLMH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(-c4ccc(OCCN5CCOCC5)cc4Cl)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKZQOFVKMNLPBF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCQCGUXVKSMDJY-UHFFFAOYSA-N", "SMILES:N=c1oc2c(O)cccc2cc1C(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024567", "category": ["biolink:ChemicalEntity"], "name": "ENGLERIN A", "xref": ["InChIKey:GACOFEKSDCOVMV-RRYXBOBMSA-N", "SMILES:CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4643230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLVJHYEYXKECJ-CVLVEMSBSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)c1ccc3ccccc3c1)[C@]1(C3CCCCC3)C[C@@H](OC(=O)CO)[C@@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMJIKMBTXBKRR-UHFFFAOYSA-N", "SMILES:CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2NC(=O)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKUFKDGKRLMXEX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccncc3-c3cc(F)c(O)c(F)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUYJEQHNWKQNBT-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSODIWLTBNDQE-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1C1=NN(c2ccccn2)C(c2ccccc2)C1"]}
{"name": "S-formylglutathione hydrolase", "xref": ["CHEMBL.TARGET:CHEMBL2189130"], "id": "UniProtKB:P10768", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIJHMPJGIDEOB-UHFFFAOYSA-N", "SMILES:S=C(SCc1nc2cc(Cl)c(Cl)cc2[nH]1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMPMHCFEOPJYJS-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(CSC(=S)N3CCCCC3)[nH]c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJNDGDDXUBGQS-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCSc3nc4ccccc4[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBHOTXOWJJXGJR-UHFFFAOYSA-L", "SMILES:CCCCCCCCCC[n+]1ccn(CCCCCCn2cc[n+](CCCCCCCCCC)c2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSOWUUXDUVSNJ-UHFFFAOYSA-L", "SMILES:CCCCCCCCCCCC[n+]1ccn(CCCCCCn2cc[n+](CCCCCCCCCCCC)c2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNQBCXHPCLRBU-UHFFFAOYSA-L", "SMILES:CCCCCCCCC[n+]1ccn(CCCCCCCCCCn2cc[n+](CCCCCCCCC)c2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMABYFSBJAKQB-UHFFFAOYSA-L", "SMILES:CCCCCCCCCCCC[n+]1ccn(CCCCCCCCCCn2cc[n+](CCCCCCCCCCCC)c2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMVSHZWCGBPMQC-UHFFFAOYSA-L", "SMILES:CCCCCC[n+]1ccn(CCCCCCCCCCCCCCCCn2cc[n+](CCCCCC)c2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCODAFQEMNIYEB-UHFFFAOYSA-L", "SMILES:CCCCCCCCCCCC[n+]1ccn(CCCCCCCCCCCCCCCCn2cc[n+](CCCCCCCCCCCC)c2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXGUECVFNFKTBD-UHFFFAOYSA-N", "SMILES:NCC1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPQDOALKKFQAR-SXOMAYOGSA-N", "SMILES:Nc1nccc2cc(CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGGCLPHXCBCRCJ-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYKOIAODKINGEV-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCC2CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVNHILSANQFND-WQSOCCDOSA-N", "SMILES:C=C1[C@@H]2CC[C@H]3[C@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]4CC[C@]3(C2)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487887", "category": ["biolink:ChemicalEntity"], "name": "URSONIC ACID", "xref": ["InChIKey:MUCRYNWJQNHDJH-OADIDDRXSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4643732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCAUKTRHFNKPLU-SWIGCEFXSA-N", "SMILES:COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4645101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLIJUXSUCHUJBS-PQKJENKHSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"name": "Probable G-protein coupled receptor 146", "synonym": ["G-protein coupled receptor 146"], "xref": ["CHEMBL.TARGET:CHEMBL4523904"], "id": "UniProtKB:Q96CH1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594409", "category": ["biolink:ChemicalEntity"], "name": "HUMAN C-PEPTIDE", "xref": ["InChIKey:VOUAQYXWVJDEQY-QENPJCQMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O"], "synonym": ["C-peptide", "Human c-peptide", "Human proinsulin c-peptide", "Insulin c-peptide", "Nmij-crm 6901a", "Proinsulin c-peptide", "Proinsulin c-peptide (human)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUMOHMRODQWKLL-KZFMHCLTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROMAKISHVRQMFW-XUXIUFHCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJQJNNGNZHVOD-QENPJCQMSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVSIKSKWDNSJBT-UHFFFAOYSA-N", "SMILES:CSc1nc2n(n1)C(c1ccc(O)c(O)c1)C([N+](=O)[O-])=NN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUSCUGGHAQOJB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=CNc2ncnn2C1c1c(O)cc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPGUTVYTVHWMP-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)Oc1c(C(CC(C)=O)c2ccccc2)c(=O)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHKTZCQBTFMFRZ-UHFFFAOYSA-N", "SMILES:CCCCOP(=O)(OCCCC)Oc1c(C(CC(C)=O)c2ccccc2)c(=O)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRSLQVFUDQVRPU-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)Oc1ccc(Cc2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQFPGDOPAWNDQW-QHCPKHFHSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCCO[C@H]2Cn2cc(-c3ccc(F)cc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDDZRQPWKCYMRP-JLYGRIHLSA-N", "SMILES:Cc1c2c(c(O)c3c1[C@H](C)[C@@H](C)O3)/C(=C/c1ccccc1)C(=O)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4647301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHWYURJZAPXAN-ILOFNVQHSA-N", "SMILES:CC1=C[C@@H]2[C@H]3[C@H](C(C)=C4[C@H]5OC(=O)[C@@H](C)[C@@H]5CC[C@](C)(O)[C@@H]43)[C@@]13[C@@H]2[C@@](C)(O)CC[C@H]1[C@H](C)C(=O)O[C@@H]13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4646849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRITZRIJFAZEOT-IZIVKRLGSA-N", "SMILES:COC(=O)[C@@H](C)C1=CC2=C(C)[C@H]3[C@H]([C@@H]4CC5(C)O[C@@]6(C)CC[C@H]7[C@H](C)C(=O)O[C@@H]7C35[C@@H]46)[C@H]2[C@@](C)(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJGGYJHLZDCXGO-LHDYPXLBSA-N", "SMILES:CC1=C2C=C([C@H](C)C(=O)OCCc3ccccc3)CC[C@](C)(O)[C@@H]2[C@H]2[C@@H]3CC4(C)O[C@@]5(C)CC[C@H]6[C@H](C)C(=O)O[C@@H]6C4([C@@H]35)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJCYRCQXFHBRPT-UASVELHZSA-N", "SMILES:CC1=C2C=C(C(C)NC(=O)N=[N+]=[N-])CC[C@](C)(O)[C@@H]2[C@H]2[C@@H]3CC4(C)O[C@@]5(C)CC[C@H]6[C@H](C)C(=O)O[C@@H]6C4([C@@H]35)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWBWLAVVVNVRI-HNNXBMFYSA-N", "SMILES:Nc1nc2[nH]c(CCCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYRTDSOLMEARE-HNNXBMFYSA-N", "SMILES:Nc1nc2[nH]c(CCCOc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVVUJZMZPKPMOO-HNNXBMFYSA-N", "SMILES:Nc1nc2[nH]c(CCCSc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHCLXLDADAMXOZ-INIZCTEOSA-N", "SMILES:Nc1nc2[nH]c(CCCN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNMJNDYPFZLFMO-HNNXBMFYSA-N", "SMILES:Nc1nc2[nH]c(CCCN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMNZBKJKYWYHAB-KRWDZBQOSA-N", "SMILES:CC(=O)N(CCCc1cc2c(=O)[nH]c(N)nc2[nH]1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQCHQUSSWKGEMI-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3cc[nH]c3c1)cn2-c1ccc(OCCNCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEHXWAPPUMNIFQ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-n2cc(-c3ccc4cc[nH]c4c3)c3c(Cl)ccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTKBKWTSCPRNU-XZWHSSHBSA-N", "SMILES:COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504323", "category": ["biolink:ChemicalEntity"], "name": "BERBAMINE", "xref": ["InChIKey:DFOCUWZXJBAUSQ-URLMMPGGSA-N", "SMILES:COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4"], "synonym": ["NSC-369310"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL442717", "category": ["biolink:ChemicalEntity"], "name": "DAURICINE", "xref": ["InChIKey:AQASRZOCERRGBL-ROJLCIKYSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL449782", "category": ["biolink:ChemicalEntity"], "name": "CEPHARANTHINE", "xref": ["InChIKey:YVPXVXANRNDGTA-WDYNHAJCSA-N", "SMILES:COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C"], "synonym": ["(+)-cepharanthine", "Cepharanthine", "NSC-623442"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1186510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKFZIUKXTWQTP-QGZVFWFLSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4645514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUUJHYZYUVTNM-UHFFFAOYSA-N", "SMILES:CN1/C(=C/C=C2\\CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C2N2CCN(c3ccc(-c4[nH]c5cc(F)cc6c5c4CCNC6=O)cc3)CC2)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDRXRSYKXXJICW-MHZLTWQESA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OCCCN3CCN(C(=S)Nc4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGJBHRUVHMVES-UHFFFAOYSA-N", "SMILES:CCC(CC)n1c(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C(C)C)cc2)nc2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBDDGSPCWTTPC-UHFFFAOYSA-N", "SMILES:CCCC(CCC)n1c(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C(C)C)cc2)nc2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLXAKSVWIYYYSK-APRWHZIJSA-N", "SMILES:O=C(Cc1ccccc1C(F)(F)F)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)Cc3ccccc3C(F)(F)F)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMKCOKHJISOEPL-NSVAZKTRSA-N", "SMILES:CCCCCCC1=C(c2ccccc2)[C@]2(CN(C)c3ccccc3)CC[C@H](NS(N)(=O)=O)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVBLFLXCQUOFT-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)ccc1Nc1nccc(-c2cn(CCCO)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNOFFMHVFVIEIH-JBWXAVFGSA-N", "SMILES:CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(-c3ccccc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLLFMFZKAOOHK-AUNGJVSRSA-N", "SMILES:CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](OCCn2cc(-c3ccccc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPUVCMXHFBPOB-MLWNBEGQSA-N", "SMILES:CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCn2cc(-c3ccccc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXZWMLMZDQAXPW-RUNXHEPMSA-N", "SMILES:CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCn2nnc(-c3ccccc3)n2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUMKXWGHZGUHPT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOGWWVPSBAVBN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINZRUYMKQXGEQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2cccnc2)cc1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSZORJIKEPXTEA-LFPSWIHMSA-N", "SMILES:CCCCCCC[C@H]1O[C@@H]1C(OC(=O)c1ccc(I)cc1)C(=O)NCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEPKYIMUGSVNBR-HRUVVLKGSA-N", "SMILES:CCCCNC(=O)C([C@H]1O[C@@H]1c1ccccc1)N(C(=O)c1ccc(I)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYVGWXUICDQOKV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUCUNVKXSOPBBS-OAHLLOKOSA-N", "SMILES:CC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYRMNZEFCZSER-BVSLBCMMSA-N", "SMILES:N[C@H]1CCSSC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"name": "Interleukin-1 receptor antagonist protein", "xref": ["CHEMBL.TARGET:CHEMBL4523191"], "id": "UniProtKB:P18510", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLCGOAOIPMFIAU-XDJHFCHBSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMQDPJNTBGRWMN-LFIBNONCSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIZYCRMWDQPLQ-LFIBNONCSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLXFJZDPQDGXBS-CPNJWEJPSA-N", "SMILES:CCOCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSSLIVUMSABFR-XDHOZWIPSA-N", "SMILES:CC(=O)NCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQPYVBIGWJYTEH-CJLVFECKSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CCC/C3=C\\c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLYNPXSRCIEFD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CCC3Cc1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFSXUCOIKZTMO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CCC3Cc1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCLUNYBOVCPRQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CCC3Cc1ccc(CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBHWYHEIZGGIJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CCC3Cc1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNULWHGYSMJFN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CCC3Cc1ccc(C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFXQEFHUSWOKI-JLHYYAGUSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)[nH]c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJXCPQJOIIKOM-PXLXIMEGSA-N", "SMILES:CCN(CC)CCNc1cc2nc3c(cc2cc1F)CC/C3=C\\c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUVXNWSKRNMMN-RELWKKBWSA-N", "SMILES:CC(C)c1ccc(/C=C2\\CCc3c2nc2ccccc2c3NCCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLVAKDFYVENQM-BSYVCWPDSA-N", "SMILES:CCc1ccc(/C=C2\\CCc3c2nc2ccccc2c3NCCCN(CC)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDCCBUFTOCMGL-NJNXFGOHSA-N", "SMILES:CCN(CC)CCCNc1c2c(nc3ccccc13)/C(=C/c1ccc(CC(C)C)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOKPMQWAURQPOG-RCCKNPSSSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFIFFLRKUCZKKC-CAPFRKAQSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEKQGUFKTNPVPN-HMMYKYKNSA-N", "SMILES:CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\\c1ccc(N(CC)CC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMDPHCWIIZVEIN-CPNJWEJPSA-N", "SMILES:CC(C)c1ccc(/C=C2\\CCn3c2nc2cc(NCCN(C)C)c(F)cc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDCYDQQHKUAFN-JLHYYAGUSA-N", "SMILES:CCN(CC)CCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(C)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSYRNAZXPASJF-JLHYYAGUSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CCCl)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGHJJCFWCVSGDW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446008", "category": ["biolink:ChemicalEntity"], "name": "MOLLUGIN", "xref": ["InChIKey:VLGATXOTCNBWIT-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)C=C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1522313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUGYAOMCKNTGG-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFQBYBODAKGOA-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1S(=O)(=O)Nc1cc(Br)c(F)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNULQPRWYHVXHT-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2cc3ccccc3o2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNEAZWBYXISKKK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc(-c3ccc(C4CCN(C)CC4)cc3)c2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHFFFSVWKXFHJ-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1ccc(C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTNWUSXZLVWFT-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXMITPJMNSSPY-UKILVPOCSA-N", "SMILES:COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRVUOCABDZPTEL-KRWDZBQOSA-N", "SMILES:O=C(NCc1ccc(F)cc1)[C@@H]1Cc2c([nH]c3ccccc23)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWDFPQXMRYCTCK-UXHICEINSA-N", "SMILES:COC(=O)CC[C@H]1N[C@H](C(=O)NCc2ccc(F)cc2)Cc2c1[nH]c1ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADKAGRBIKGFHM-MJGOQNOKSA-N", "SMILES:O=C1N[C@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4647674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJAPXZXYRHHWMX-LADGPHEKSA-N", "SMILES:O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3)N2C(=O)N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKIVSJZNZNFDNY-GMAHTHKFSA-N", "SMILES:O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(F)cc3)N2C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYSSOKJGYXYIM-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)C(=O)NCCc1ccc(Oc2ccccc2)cc1"]}
{"name": "Phospholipase A and acyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL4630860"], "id": "UniProtKB:Q9NWW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phospholipase A and acyltransferase 5", "xref": ["CHEMBL.TARGET:CHEMBL4630850"], "id": "UniProtKB:Q96KN8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZXDHWOUTVAEA-SCVMZPAESA-N", "SMILES:C[C@]1(F)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJTVDNJFPZYBL-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUKJHGXXZWHSBG-WBGSEQOASA-N", "SMILES:CCCCC[C@H](O)/C=C/C=C/C/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL65061", "category": ["biolink:ChemicalEntity"], "name": "LEUKOTRIENE_B4", "xref": ["InChIKey:VNYSSYRCGWBHLG-AMOLWHMGSA-N", "SMILES:CCCCC/C=C\\C[C@@H](O)/C=C/C=C/C=C\\[C@@H](O)CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1526258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNHVWPKMFKADKW-LQWMCKPYSA-N", "SMILES:CCCCC/C=C\\C[C@H](O)/C=C/C=C\\C/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4649262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLZVMIFEEPKQPT-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2cccc(C(=O)O)c2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTGYQXLWRPOERZ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVKAAHBWCXWEV-UHFFFAOYSA-N", "SMILES:CC(C)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRUDWCLMJWAWIB-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccccc1)P(=O)(Oc1ccccc1)c1ccccc1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQGDYQOXHCRTA-UHFFFAOYSA-N", "SMILES:NC(=O)CNC1CCc2cc(OCc3ccccc3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNNBDXKXPONQD-YTJLLHSVSA-N", "SMILES:C[C@H](NC1CCCc2cc(OCc3ccccc3F)ccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPJTGVCLWZJSU-KTQQKIMGSA-N", "SMILES:C[C@@H](C(N)=O)N1CCCC1c1ccc(OCc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGGFDGHBHZUCNV-SFHVURJKSA-N", "SMILES:NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2218759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNOJCVLDDTECB-NSHDSACASA-N", "SMILES:CN1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCHSDJRKGJKOAG-ZDUSSCGKSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARWXKCIBVKCPEZ-AWEZNQCLSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGBOZOKKHFLRJF-ZDUSSCGKSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHDBGOTFRVUIU-AWEZNQCLSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNVKLAVWUZGJF-LBPRGKRZSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWIADYVLMPROS-LBPRGKRZSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1cscn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVIQKWMPRWBULF-LBPRGKRZSA-N", "SMILES:O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCC(=O)N1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNVMCXNIATHHF-LBPRGKRZSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1COC(=O)N1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXBKTRIYEOEIHJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(c2ccc(O)cc2)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGDILGOLSSKNE-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSHGNLUDXTVAEE-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(c2ccc(O)cc2)C(Br)(Br)Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVUMCDVBOOOTES-XLIKFSOKSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(I)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGKJMHBBGIMTIG-QORCZRPOSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(I)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIGDGRJXXTSBG-DUGSHLAESA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c2ccc(I)cc2)C(=O)O)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNATUGTZPACPM-LJADHVKFSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)c2ccc(I)cc2)C(=O)O)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBMCDKJWGCORV-ORYMTKCHSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C[C@H](NC(=O)Nc2ccc(I)cc2)C(=O)O)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAKVHCGGBFRDIQ-YDPTYEFTSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C[C@H](NC(=O)CNC(=O)c2ccc(I)cc2)C(=O)O)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYPKHCXCNTGNO-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)Nc2nccc(-n3ccc4ccccc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKHUYZPARSWSEB-KRLBWHOLSA-N", "SMILES:Cc1cc(-c2nc(-c3ccc(F)cc3)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIIXIHLGZZUFN-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2ncc(-c3ccc(OCCCCN4CCCC4)cc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNSLACFIOGRFF-VWLOTQADSA-N", "SMILES:Cc1cn(-c2cc(CN3CCC[C@H](N)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGKUMULSZZUXMU-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1-c1ccc(-c2cn(CCCCCCCC(=O)NO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZNFXCHMYAZQQ-UHFFFAOYSA-N", "SMILES:CNCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPKVCAVKWFEQV-QZQOTICOSA-N", "SMILES:Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQGCHYMHIURGD-CYBMUJFWSA-N", "SMILES:C[C@@H](Oc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1cc(F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXIMZKHSVVZVQQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc([S+]([O-])NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQDRNQBRRSNVOR-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6ccc(F)cc6F)CC5)cc4)cccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKYLRUKVUHEFO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C2=CC(=O)C=CC2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3212643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFNDGAPTSYRUMC-GIJQJNRQSA-N", "SMILES:O=C(N/N=C/c1coc2ccccc2c1=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549748", "category": ["biolink:ChemicalEntity"], "name": "TETRAC", "xref": ["InChIKey:PPJYSSNKSXAVDB-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1"], "synonym": ["T4-acetic acid", "Tetrac", "Tetraiodothyroacetic acid", "Levothyroxine sodium impurity, t4-acetic acid-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4637025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTERKZCXUGODHD-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Br)c(Oc2cc(I)c(O)c(I)c2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZBERKCPNJGFB-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1cc(Br)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXWOVDUGPWAOIU-SKJVJALBSA-N", "SMILES:COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](OC[C@@H]2C(=O)CC[C@@H]2C)OC(C)=C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4641696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXWOVDUGPWAOIU-KNSQMQPBSA-N", "SMILES:COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](OC[C@@H]2C(=O)CC[C@H]2C)OC(C)=C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4639782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZLAXYFQEIVNFJ-GKGSAVKXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKDEONHSXODFG-RXGVUZTQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC3=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGBVAARMQYYITG-DESRROFGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQVRNKJHWKZAKO-LUWBGTNYSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(O)(C(=O)O)C[C@@H]1O"], "chembl_natural_product": true}
{"name": "Sialin", "xref": ["CHEMBL.TARGET:CHEMBL4630859"], "id": "UniProtKB:Q9NRA2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRULQRVJXQQPQH-SANMLTNESA-N", "SMILES:O=C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4649127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPDPKLGXGMDAY-AREMUKBSSA-N", "SMILES:CC(C)(C)OC(=O)NCc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDORQWMYRRLQV-JHOUSYSJSA-N", "SMILES:Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2375078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZERLKNAJSFDSQ-DDHJBXDOSA-N", "SMILES:O=C(O)[C@@H]1OCCOCCO[C@@H](C(=O)O)[C@H](C(=O)O)OCCOCCO[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1590868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEDXVNDVHYDQW-UHFFFAOYSA-N", "SMILES:O=C(O)CN(CC(=O)O)c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHJVUIODRNFXGO-VWLOTQADSA-N", "SMILES:COc1ccc2c(CSC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNAGBQZMUJMJV-QHCPKHFHSA-N", "SMILES:O=C(N[C@@H](CSCc1cc(=O)oc2cc(O)c(Cl)cc12)C(=O)O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTUFGJFSNPCTQ-FQEVSTJZSA-N", "SMILES:O=C(NCCCC[C@H](NC(=O)OCc1cc(=O)oc2cc(O)ccc12)C(=O)O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUIXMIVPQTMAT-LJAQVGFWSA-N", "SMILES:CN(C)c1ccc2c(CC(=O)NCCCC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEURPPAVSGNZDY-VWLOTQADSA-N", "SMILES:O=C(Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPUDHOFKNTHBV-DEOSSOPVSA-N", "SMILES:CCN(CC)c1ccc2c(CC(=O)N[C@@H](CCCCNC(=O)OCc3ccccc3)C(=O)O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMVXYZZURKEGND-QFIPXVFZSA-N", "SMILES:CN(C)c1ccc2c(CC(=O)N[C@@H](CCCCNC(=O)OCc3ccccc3)C(=O)O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMZAXRMBAKOOM-FQEVSTJZSA-N", "SMILES:O=C(Cc1cc(=O)oc2cc(O)ccc12)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPJQFCAFFNICX-IBGZPJMESA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4634004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXAYZHCPEYTWHW-IBGZPJMESA-N", "SMILES:CC(C)(C)SC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULINAWEYRMHHQ-SFHVURJKSA-N", "SMILES:COC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL294989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPJQFCAFFNICX-UHFFFAOYSA-N", "SMILES:CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4633466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FODJWPHPWBKDON-IBGZPJMESA-N", "SMILES:CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMTDKXQYAKLQKF-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](CS)C(=O)O)OCC1c2ccccc2-c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL558872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUKCFULLJFBFN-VWLOTQADSA-N", "SMILES:CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL357583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVFAHZPLIXNDH-QFIPXVFZSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL560020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVFEIPAZSXRGM-DJJJIMSYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4638192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZGYHFOLFRYPK-DEOSSOPVSA-N", "SMILES:COc1ccc(CSC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOICKZDVMXGKID-VFNWGFHPSA-N", "SMILES:C[C@H](C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OC(C)(C)C"]}
{"name": "Proton-coupled amino acid transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL1914279"], "id": "UniProtKB:Q7Z2H8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cystinosin", "xref": ["CHEMBL.TARGET:CHEMBL4630803"], "id": "UniProtKB:O60931", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGEMZJKMLPSYTJ-LOSLLDPDSA-N", "SMILES:C=C1C(=O)[C@@]23C(=O)[C@@H]4OC[C@]5(C=CCC(C)(C)[C@@H]45)[C@@H]2CC[C@@H]1[C@H]3OC(=O)/C=C/c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWOMAVUXTXEKT-LBPRGKRZSA-N", "SMILES:O=C1C[C@H](Nc2ncnc3[nH]cnc23)CN1Cc1ccccc1"]}
{"name": "Tumor necrosis factor", "xref": ["CHEMBL.TARGET:CHEMBL4984"], "id": "UniProtKB:P06804", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCGVFJZWKHMCL-CVEARBPZSA-N", "SMILES:C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CC([C@H]4CCCN(CCO)C4)C3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTXYEHRRIXPCI-MCMOPRLMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCNC(=O)Cn1nnc2c1CC[C@H]1[C@@H](CC2)[C@H]1COC(=O)NCCOCCOCCNC(=O)CCCCC[N+]1=C(/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIDKACQLZAUXPJ-YINBBJFXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCNC(=O)Cn1nnc2c1CC[C@H]1[C@@H](CC2)[C@H]1COC(=O)NCCOCCOCCNC(=O)CCCCC[N+]1=C(/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQBHBLJWXRRJKV-FTGFMQHASA-N", "SMILES:CC(=O)Nc1ccc(/N=N/c2ccccc2OC[C@@H](O)CNC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOCXGVDYTPLVSS-OAFDPHIXSA-N", "SMILES:CC(=O)Nc1ccc(/N=N\\c2cccc(OC[C@@H](O)CNC(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZFHDGEKBUECT-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(CNc2ccc(CC(=O)O)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYXNEFKIIDDMJ-UHFFFAOYSA-N", "SMILES:c1cnc2c(Nc3ccc4c(N5CCCCC5)nccc4c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRWFNIGRULYLC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXCJCGOXOGENV-UHFFFAOYSA-N", "SMILES:c1cnc2c(Nc3ccc4c(N5CCCC5)nccc4c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSHHFGJOLSBQV-UHFFFAOYSA-N", "SMILES:c1cnc2c(Nc3ccc4c(NC5CCC5)nccc4c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIOKOMJEMUKSH-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRHJGUSYZMWML-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTCIHDKCDLGHQ-UHFFFAOYSA-N", "SMILES:COCCNc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAISHRGQCCZMPK-UHFFFAOYSA-N", "SMILES:FC(F)(F)C1CCCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIDMRJAYXPNROT-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCIOVXDWUWYQHU-UHFFFAOYSA-N", "SMILES:c1cnc2c(Nc3ccc4c(-n5cccn5)nccc4c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBSDKMIUQJZBQ-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFVQPVOIRJYSQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNMUAQSSXQMHE-UHFFFAOYSA-N", "SMILES:CCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGNFYVNOSXJEL-UHFFFAOYSA-N", "SMILES:c1cnc2c(Nc3ccc4c(C5CC5)nccc4c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFPRBWBZNYJMKQ-UHFFFAOYSA-N", "SMILES:FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORYGDQFQGQUFQM-UHFFFAOYSA-N", "SMILES:CC(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSZSELPUSMTKD-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKGTHUFCFCMSD-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKYSWHZFKXIND-UHFFFAOYSA-N", "SMILES:O=c1[nH]ccc2cc(Nc3n[nH]c4cccnc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPFAKSPBLLUKBA-UHFFFAOYSA-N", "SMILES:CC(C)Cn1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDTKFKAGUXSNQG-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Nc3n[nH]c4cccnc34)cc2ccn1CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNRBITZGXKSLX-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Nc3n[nH]c4cccnc34)cc2ccn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDIQNUECOXRNB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFBADDGNMFOAG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUEXKBWCUUFJMY-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAUFNAAZZSERRI-UHFFFAOYSA-N", "SMILES:c1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEWKDSKMXGOOPC-UHFFFAOYSA-N", "SMILES:c1cnc2c(Nc3ccc4cnccc4c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFQLBZOXOLDJZ-UHFFFAOYSA-N", "SMILES:c1cnc2ccc(Nc3n[nH]c4cccnc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPSBNKMZVOTIBW-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZMRFVNCRFNBJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXJPUPJQCDHTJK-MOSHPQCFSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQDCPPFFMCURJ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c2ccncc2cc2cnc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKOKFUHOFKRNN-UHFFFAOYSA-N", "SMILES:Nc1c2ccncc2cc2cnc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJWPXZHKIWZWQN-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQOCYCVHAMOQJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJSNXZIRJAKRJL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c2ccncc2cc2cnc(NCCN3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OISRNZIFCWSANO-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNc2ncc3cc4cnccc4c([N+](=O)[O-])c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFCQUOKYTYRRC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c2ccncc2cc2cnc(NCCN3CCCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBOPJKIWMHQHD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c2ccncc2cc2cnc(NCCN3CCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLFYCKDFLUBECU-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILVVTWHVWKUXKT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHJPKAMVJZBLON-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c2ccncc2cc2cnc(NCCCN3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQYZPOJQAKCFFO-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCNc2ncc3cc4cnccc4c([N+](=O)[O-])c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGJUJAOYNGWLM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c2ccncc2cc2cnc(NCCCN3CCCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSOMXLFHOQHTKF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c2ccncc2cc2cnc(NCCCN3CCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQCMHKMNXKJQR-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKRYSRPDMNKFH-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRMLXPCRZLVSC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSNIKYUBSYSEPM-UHFFFAOYSA-N", "SMILES:Nc1c2ccncc2cc2cnc(NCCN3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTONLEAATBOFQB-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNc2ncc3cc4cnccc4c(N)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWJBLXQLCMIBG-UHFFFAOYSA-N", "SMILES:Nc1c2ccncc2cc2cnc(NCCN3CCCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYEDSSSLBLPFIA-UHFFFAOYSA-N", "SMILES:Nc1c2ccncc2cc2cnc(NCCN3CCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOJZRQEFRSMBQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKDPWAYYZQTTG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRBZZLHCFITOFC-UHFFFAOYSA-N", "SMILES:Nc1c2ccncc2cc2cnc(NCCCN3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATLOXGWVZDAHX-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCNc2ncc3cc4cnccc4c(N)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPZFYOCAFLMWPD-UHFFFAOYSA-N", "SMILES:Nc1c2ccncc2cc2cnc(NCCCN3CCCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHCALVTKHLNBA-UHFFFAOYSA-N", "SMILES:Nc1c2ccncc2cc2cnc(NCCCN3CCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGDUCAVXSVHJW-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRUALLVHYWJHHL-UHFFFAOYSA-N", "SMILES:CC1CC(C)CN(c2ccc(S(=O)(=O)Nc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHPIYSSJOJOKL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(N3CCCCC3)cc1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOUISYZFHQMZEL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUFUSLRJLDHJCU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(-c3ccc(F)cc3)cc1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHDFHLHWCLSKLH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(-c3ccccc3)cc1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKSDNOVIOUPEH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(C3CCCCC3)cc1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOPIBRPJKPROHO-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1cccc3cccnc13)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFMSJLUXZULTN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1cccc3ccccc13)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIGZSURJFXLNOJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc3ccccc3c1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTTXXOHARUZLKV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDRHCHQPQLFMN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUAKYWNTIAODD-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGLCDKMBGQPBD-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXXRLEGBODRARY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILBWKCUHSWTBM-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYPYYQQZRZZMIH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(Cl)s1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNLDZKRUZGDLA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1cccs1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUFVNHBHOYPKGQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFONEMVXIXGSJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccccc1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMBGJFGHSZRGIR-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)C1CCCCC1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJWBAFIXFIBCR-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMSRFWOABGPIQU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUZHXLKCBEGNC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(CCCN(C)C)CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTEWSDGBCMIPIZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQCFLSZUSTALC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccncc2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTJPVXASVJOMW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccnnc2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUBZXFNNULBFX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(C)c3n(c2=O)C2(CCCCC2)NC3=O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGFXLZWTGRAAT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccnc(N)c2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBOZMNJGIZGSFL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccnc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXIRCXIRZUXJSJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cn(C)nc2N)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMAZHMAIHCELNK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCCCC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKICFJXJPDNOJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(NC3CCNCC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZVIUNVVQJWYNZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCC(N)CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYDOTWDTHRXAQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCNCC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQHPHSZEODHGL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAYMIFRCEPHPHT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cc(Nc3cc(C)c4n(c3=O)C3(CCCCC3)NC4=O)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENBOQULCZPZRI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(CCN(C)C)CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHSBDFNPKEKJJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cnccn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUHICZYFZVWVSY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N)ccn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITNKBNSWICSPJS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCOCC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZUOFKSSDPTYTI-UHFFFAOYSA-N", "SMILES:Oc1cc(CN(Cc2ccccn2)Cc2ccccn2)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOALNFLMPTOIK-UHFFFAOYSA-N", "SMILES:COc1ncc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QINVEDAVMNJBEJ-UHFFFAOYSA-N", "SMILES:Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJAOVRZLJPZSAI-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWOXPORORXFWHF-UHFFFAOYSA-N", "SMILES:Cc1cncc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLWWYTKLOAPLPL-UHFFFAOYSA-N", "SMILES:COc1ncccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDMHCWCXNGNHI-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQMXJJRDXPPSEB-UHFFFAOYSA-N", "SMILES:COc1cncc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSEZZLRIKHYCJJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZSGAERWLCURJM-UHFFFAOYSA-N", "SMILES:COc1nc(C)ccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWNQXLUHHMLVFL-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDORYKFMJRUMSF-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACCRQNSVMUABJ-UHFFFAOYSA-N", "SMILES:CCc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPYZMQQCMLJLP-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEBQMPXGWTTXLD-UHFFFAOYSA-N", "SMILES:CCOc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYPXKBNPJWAFV-UHFFFAOYSA-N", "SMILES:Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccnc(Cl)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWOTXWEYMDATG-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPNINZWBNWHCX-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXSAVKVZVZAQQT-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UILRJZSMSDGETI-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2cc(C)c3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMHENJVTMRJDO-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccc(C)nc2C)cc2c1nc(COc1cccc(C(=O)O)c1)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOGJMBYZMVYQC-UHFFFAOYSA-N", "SMILES:CCOc1cc(Oc2ccc(C)nc2C)cc2c1nc(COc1cccc(C(=O)O)c1)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZDIFGAERNRCIQ-UHFFFAOYSA-N", "SMILES:CCCOc1cc(Oc2ccc(C)nc2C)cc2c1nc(COc1cccc(C(=O)O)c1)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHUEXFOFWPACG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2cc(OC(C)C)c3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNUBJWUBGFXFOH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2C)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTWTHJHQYRTGW-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2F)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCLXLTGJJGRZPM-UHFFFAOYSA-N", "SMILES:CCOc1cc(Oc2ncc(C)cc2C)cc2c1nc(COc1cccc(C(=O)O)c1)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULPISFOUUDRJFH-UHFFFAOYSA-N", "SMILES:Cc1cnc(Oc2cc(OC(C)C)c3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPRIFTCIRPNLJT-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2cc(C)c3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKQNTFVDFCBUDF-UHFFFAOYSA-N", "SMILES:CCOc1cc(Oc2ccnc(OC)c2)cc2c1nc(COc1cccc(C(=O)O)c1)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAPHOLUHFJROOR-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2cc(OC(C)C)c3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQDDXDMQVZAIN-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYMJTAORXXJRQ-UHFFFAOYSA-N", "SMILES:Cc1ncccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVDQDDVDAKGMS-UHFFFAOYSA-N", "SMILES:Cc1ccncc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGMHAKFCUIDSF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CCO)c3)nc(N3CCOCC3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWQTVTUGSSYDC-NDEPHWFRSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCOC[C@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWQTVTUGSSYDC-MUUNZHRXSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPNINGKEUXPAN-AREMUKBSSA-N", "SMILES:CC(=O)N1CCN(c2nc(N3CCOC[C@@H]3c3ccccc3)c3cc(-c4c(C)noc4C)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZGDPTKELCMXIE-RUZDIDTESA-N", "SMILES:CNC(=O)N1CCN(c2nc(N3CCOC[C@@H]3c3ccccc3)c3cc(-c4c(C)noc4C)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEFRHGGCHFIZPL-HHHXNRCGSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(N3CCC4(CCN(C)C4=O)CC3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLYCYQZKWYNFGB-HHHXNRCGSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(N3CCC4(CCC(=O)N4C)CC3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEWOOWYDUFOUIZ-AREMUKBSSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(C(=O)NC3CCN(C)CC3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGMHAKFCUIDSF-RUZDIDTESA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CCO)c3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNIBMWAEGWXDFA-AREMUKBSSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(C(C)(C)CO)c3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFVOUWYHJXPBW-SANMLTNESA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFVOUWYHJXPBW-AREMUKBSSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSKZTFWZDNMUQO-XMMPIXPASA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(N)=O)c3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUCGPHRBJJVBKJ-RUZDIDTESA-N", "SMILES:CNC(=O)Cn1cc(-c2nc(N3CCOC[C@@H]3c3ccccc3)c3cc(-c4c(C)noc4C)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUQWMJAPXXHNW-AREMUKBSSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(=O)N(C)C)c3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHMSSSMHMXZSAX-AREMUKBSSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCNC[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGPHEDWPSNQBFS-MUUNZHRXSA-N", "SMILES:CC(=O)N1CCN(c2nc(-c3cnn(CC(C)(C)O)c3)nc3ccc(-c4c(C)noc4C)cc23)[C@@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHAGEDLCCPAUJD-HHHXNRCGSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCN(S(C)(=O)=O)C[C@@H]3c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIWDAUREAVAST-HSZRJFAPSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3C3CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGIXGHBBMXFSIT-XMMPIXPASA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3C3CCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUISAHCVWMHAU-RUZDIDTESA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3C3CCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXSINIYBOYDQR-AREMUKBSSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3C3CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWSSFUVXMUVANQ-AREMUKBSSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3c3ccc(F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABBCYQQESSTZER-AREMUKBSSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3c3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKONNTXVMMUGRN-HSZRJFAPSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3c3cccs3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHKJPOMHHACJA-HHHXNRCGSA-N", "SMILES:Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVFLLGMQVFCCR-XMMPIXPASA-N", "SMILES:Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CC4)c3c2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIYWMIDPQYQEER-HHHXNRCGSA-N", "SMILES:Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CCCCC4)c3c2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTDPXIZHXEQIF-HHHXNRCGSA-N", "SMILES:Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(F)cc4)c3c2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFNYHMKBPFVQCX-HHHXNRCGSA-N", "SMILES:Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(Cl)cc4)c3c2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBQVUAOCSCIIB-XMMPIXPASA-N", "SMILES:Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4cccs4)c3c2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABZCGQSUBXIYHN-RUZDIDTESA-N", "SMILES:Cc1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CC4)c3c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPPKJVFEIRYRLZ-MUUNZHRXSA-N", "SMILES:Cc1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGEHEZQEUQCGHU-MUUNZHRXSA-N", "SMILES:Cc1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(F)cc4)c3c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJXMYQEHKAEQS-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFUJUIGBBNKLCG-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHPULKQGFRPBIS-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMMCWNRDLKCWCI-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHSOWXTUFLOAT-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXBULQXSIEEHP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCNc2nccc(-c3c(-c4cccc(F)c4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUARVWWATUXNL-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2nccc(-c3c(-c4cccc(F)c4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFXUZONJMPKOT-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXCJALWTRAHMA-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDIZUWGLJSYCHD-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCFKCPXXJQHMH-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJXPNZXEEPSZHK-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIRRPWVFUBYRKX-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F)c1cncc2c[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWYUDOILCXXTFT-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFSPSGACYXXNNF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nccc3nc(-c4c(Cl)cc(C#N)cc4Cl)[nH]c23)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSKQOMHTMYZRLK-ZJUUUORDSA-N", "SMILES:C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622821", "category": ["biolink:ChemicalEntity"], "name": "UPADACITINIB", "xref": ["InChIKey:WYQFJHHDOKWSHR-MNOVXSKESA-N", "SMILES:CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12"], "synonym": ["Upadacitinib", "Upadacitinib", "Upadacitinib", "Upadacitinib anhydrous", "ABT-494", "Upadacitinib component of abbv-599", "Upadacitinib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2178806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBXBHSEZZNJPX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQWGXFCUOWNQI-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDCQFUJFMRXYMX-UHFFFAOYSA-N", "SMILES:Cn1ncc(NC(=O)c2cnn3cccnc23)c1-c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTSJOKHMKDMMR-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKXSCIJOSJVAH-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJSYPUHJWSVWBB-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2CCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKRJQIUVCNYFU-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKAUOWCTRTUPH-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBLZBUJHLNSRL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBPGCPQRWLWGRR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRZYILCSZRZNDE-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1OC1CC1)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IITMKKBKOOSQSP-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIEHIQSXVYAHMA-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)(F)F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYDIKFJMOQCQC-UHFFFAOYSA-N", "SMILES:CSc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKWIECPQOPKSS-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1SC(F)F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEINUOJTQLYHR-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(Cl)ccc2OC(F)F)c(NC(=O)c2cnn3cccnc23)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIGRSGPENMQAL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIOCQXKIGYBIL-UHFFFAOYSA-N", "SMILES:Nc1nn2cccnc2c1C(=O)Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHWBBCPKDYGSF-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F)c1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUIARNGBSSSKCL-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cc(F)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPBYRLWZNDBJOG-UHFFFAOYSA-N", "SMILES:Cc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3OC(F)F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBFFMKIJKBAMH-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3OC(F)F)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENWSVAZJLPGKK-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F)c1snc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZVAGSZXQDMER-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLGTVRUUTFWJMF-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F)c1cnc2[nH]ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKWYKBKVYQRYCK-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURNDAWLFYCTAR-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F)c1cncc2scnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDUTWVVKGSUJF-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F)c1cncc2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJLOYUZGXVPPN-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBFASNUBTMTAFQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2c[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWWZBZYMGWKGY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cn(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPVUPXQPQTRLH-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1ccccc1OC(F)F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZCSSRXCIFQRTR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OC(F)F)c(-c2n[nH]cc2NC(=O)c2cnn3cccnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGKIINSCKDFRPR-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(F)ccc1OC(F)F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBCQNOFMXUGGQZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(F)F)c(-c2n[nH]cc2NC(=O)c2cnn3cccnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQCJGPWKAIKCS-UHFFFAOYSA-N", "SMILES:CCc1ccc(OC(F)F)c(-c2n[nH]cc2NC(=O)c2cnn3cccnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROCWQSCNNATQOY-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Br)ccc1OC(F)F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDRYWDVANCHFT-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(I)ccc1OC(F)F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGEVAZCXWXSCJF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZDWBWBZAMWGPQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1c(OC(F)F)ccc(Cl)c1F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHNDOZSYOIZPOH-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGDXKQRCZGURG-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMKTLQWTGEKLA-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYSPNZYVJHZGIG-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc(Cl)c(O)cc1OC(F)F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENOZGNVRCRNCQ-UHFFFAOYSA-N", "SMILES:COc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKKEFYHRTWHHC-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1cc2cn[nH]c2cc1OC(F)F)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGRPDWKAHUIEOE-UHFFFAOYSA-N", "SMILES:COc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSQWLJFMZQYKJ-RGMNGODLSA-N", "SMILES:N[C@@H](CC1=CC(=O)C(=O)C=C1)C(=O)O.O=C(O)C(F)(F)F"]}
{"name": "G protein-activated inward rectifier potassium channel 2", "xref": ["CHEMBL.TARGET:CHEMBL4680029"], "id": "UniProtKB:P48542", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGPSCBQQAYKCRA-DTIOYNMSSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2nnn3c2CC(C(F)(F)C(F)(F)F)CC3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTMSYICWDGEBC-VIFPVBQESA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2nnc3ccc(C(F)(F)F)nn23)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDODNGJQRGPTK-NSHDSACASA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3ncc(C(F)(F)F)cc23)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWXXVWHCCWABF-AWEZNQCLSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3c2CC(C)(C)CC3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTYATKNTZKNHI-FZMZJTMJSA-N", "SMILES:C[C@H]1CCc2[nH]nc(C(=O)N[C@H]3COc4ccccc4N(C)C3=O)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRWXPAPQPHCQQA-XIVSLSHWSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3c2C2CC2CC3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTYATKNTZKNHI-RISCZKNCSA-N", "SMILES:C[C@@H]1CCc2[nH]nc(C(=O)N[C@H]3COc4ccccc4N(C)C3=O)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTILYXLQLZBNPB-AWEZNQCLSA-N", "SMILES:CC(C)c1cnc2[nH]nc(C(=O)N[C@H]3COc4ccccc4N(C)C3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQGWYGUZURMQJ-VYIIXAMBSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3c2CC(n2cccn2)CC3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIEVBEBBJRMIMN-MFKMUULPSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3c2C[C@H](C(F)(F)F)CC3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQJJXKGJLLDKJM-AWEZNQCLSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3c2CCC2(CC2)C3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLKYPDFKNBXFTE-NSHDSACASA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3ncc(C(F)(F)C(F)(F)F)cc23)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGRSDLKWAXGMJJ-ZDUSSCGKSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3ccc(C(F)(F)F)cc23)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZNFZNVDKYFPX-CVMIBEPCSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3c2CC(c2ccccc2)CC3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSNQNIFOAKZBBG-VIFPVBQESA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2nnc3ccc(C(F)(F)C(F)(F)F)nn23)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKZCXJIIYRGRS-LBPRGKRZSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ncn3ccc(C(F)(F)F)cc23)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOSHOUWBVMYNGH-CJNGLKHVSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLNDULXKLIJCRJ-MGULZYLOSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3c2CC2CC2C3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMZSVBYQOOOAOY-MNOVXSKESA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2nnn3c2C[C@H](C(F)(F)F)CC3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJCKGKOLPUUIN-YPMHNXCESA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2nn(C)c3c2C[C@H](C(F)(F)F)CC3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVYVPTZTJWRXQA-ZDUSSCGKSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c3c2CCCC3)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIWMAACCICFCDQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(Br)cc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1417584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNRZIFBTOUICE-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnn[nH]2)c(Nc2cccc3c2CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECKWVXVFOVUIC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXWMLGNYQSZPC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNORSCSYBVTJJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXQURRQOJWKDZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Br)ccc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCLGAJOXUHOGGN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLVDPTPGTFTQPB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)O)c(NC(=O)c2ccc(SC(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCLLZPTPAXBBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHYCAUYOLRSHMG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJADZNPAUOBCIW-UHFFFAOYSA-N", "SMILES:Cc1sc(NC(=O)c2ccc(SC(F)(F)F)cc2)c(C(=O)O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUJDEAKOKUDPMI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1-c1nnn[nH]1)c1ccc2c(c1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXHQTGQOMAPCND-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMRSRPGCWLTGMK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKNFFWIDRPJBQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc(-c2ccccc2)cc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVPIYHGTQNLPE-UHFFFAOYSA-N", "SMILES:O=C(Nc1sccc1C(=O)O)c1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKGILJLWMHOERD-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncnc(Nc4cnn(CCO)c4)c3c2)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUVJFLCJKWQTO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncnc(Nc4cnn(CCO)c4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQMIVDIAZXZEPL-QHCPKHFHSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-c4cncn4C)cc(C(C)C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVNRPSKTRKQRGY-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NODLHZFRDVYILE-FQEVSTJZSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-n4ccnc4)cc(C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPZVBDHGFDAMKP-SFHVURJKSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-n4ccnc4)cc(C(F)(F)F)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLHCSHDXFDLHN-SFHVURJKSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C(F)(F)F)cc(C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFYZZFEUAFXCN-IBGZPJMESA-N", "SMILES:CCc1cc(C(F)(F)F)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NC)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGYIAFQHXWQVNC-FQEVSTJZSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C(F)(F)F)cc(C(C)C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCDKVDBOHRWQY-KRWDZBQOSA-N", "SMILES:Cc1cc(C(F)(F)F)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(N)=O)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFQOFULVYSRURQ-AWEZNQCLSA-N", "SMILES:Cc1cc(C(F)(F)F)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4CO)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPPTJOIIMQKRD-HNNXBMFYSA-N", "SMILES:COC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C(F)(F)F)cc(C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAUJNVOGXRINCZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCCC4)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVAFTSLABQOVGX-NRFANRHFSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-c4cncn4C)cc(C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXFPOXWEQFIXBD-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-c4ccccc4)cc(C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJDAPPCLAIDOY-QHCPKHFHSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-c4ccccn4)cc(C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIKDRQMNHWJAA-QHCPKHFHSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-c4cccnc4)cc(C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIGKPRNBCBVRHI-VWLOTQADSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-c4ccncc4)cc(C(C)C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIGGVSPGGBXWCT-KRWDZBQOSA-N", "SMILES:Cc1cc(C(F)(F)F)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)O)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARIJGYPHRIDKV-OAHLLOKOSA-N", "SMILES:Cc1cc(C(F)(F)F)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CC[C@@H](N(C)C)C4)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDICNFPJZQQWKF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC(CCO)CC4)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFDYUAPTLKANJE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC(C#N)CC4)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXHDFCAFYYZLH-QHCPKHFHSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-c4ccncc4)cc(C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJTCIXWDCVQABY-SANMLTNESA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(OCc4ccccc4)cc(C(C)C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOSYIEIWSKIGQB-QFIPXVFZSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-n4ccnc4)cc(C(C)C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLHNDWLNWMLYCU-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCCCC4)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACRHHDXGVDIGOK-GASCZTMLSA-N", "SMILES:Cc1cc(C(F)(F)F)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBRWFNUYXVWGE-NRFANRHFSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-c4nccn4C)cc(C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILAIYSPMVODAGP-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(OCc4ccccc4)cc(C)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKAZSFGJIWETM-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHSRRIKMOZVGDA-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCZABRZBKPJJY-UHFFFAOYSA-N", "SMILES:Cc1cnnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPVXWGBOCHIZRB-UHFFFAOYSA-N", "SMILES:COc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMAPVZLVXYTTBY-UHFFFAOYSA-N", "SMILES:Cc1c(O)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYVNQGMKGXRCR-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGKIMUFWUWPBL-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cc(C(F)(F)F)ncc4Cl)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFYRZRZYFKLJN-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRXJSQWVFMHVLV-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ncncc4C#N)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQHAXBIOQNUZKY-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC(NC(=O)c3sc4nnc(Cl)c(C)c4c3N)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNOLXGOPNDCNND-UHFFFAOYSA-N", "SMILES:Cc1cc(C2CC2)ncc1N1CC(NC(=O)c2sc3nnc(Cl)c(C)c3c2N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQMLZLGTSFHIF-UHFFFAOYSA-N", "SMILES:Cc1nc(Cl)c(C)c(N2CC(NC(=O)c3sc4nnc(Cl)c(C)c4c3N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIUUTDIZHYNHOY-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ccnc(F)c4Cl)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSYDBZXSBZBRM-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cnc(Cl)cn4)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYEACDLFCFHRFH-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ccc(C5CC5)nn4)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWTUNWPZXNWKD-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4nnc(CC(C)C)o4)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRMENOFFOPUFD-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSQSUDIFXYFKJ-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHXDHAYIZAGPD-UHFFFAOYSA-N", "SMILES:Cc1c(O)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBIJTIGLVRIEFJ-UHFFFAOYSA-N", "SMILES:Cc1c(CO)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBKXLXHAAHFHP-UHFFFAOYSA-N", "SMILES:Cc1c(CF)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQFALJQDLWAUAZ-UHFFFAOYSA-N", "SMILES:Cc1c(C(F)F)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILQHBIGBISKQM-UHFFFAOYSA-N", "SMILES:COc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUCMNQDOGAFEI-UHFFFAOYSA-N", "SMILES:COCCOc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROAJNRFRVPOPV-UHFFFAOYSA-N", "SMILES:CCc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYYIKXAMUKBPEK-UHFFFAOYSA-N", "SMILES:Cc1c(C(C)C)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZLSTPOXJVFEHJ-RPXZBLFGSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(F)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMBVOPSLGHEND-YDFTWFOHSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CSS(=O)(=O)c2ccccc2)CC1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCLQBQRMOICQG-OLODFECESA-N", "SMILES:Cc1ccc(S(=O)(=O)SC[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCN(C)CC2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNXSPIPCBMLLA-IDBNAGRESA-N", "SMILES:COc1ccc(S(=O)(=O)SC[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCN(C)CC2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCMWFWDROGJJQE-IMMIMJPRSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CSS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTBRYCVVOTKKS-YDFTWFOHSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CSS(=O)(=O)C2CCCCC2)CC1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHBFRKZRYGEGO-SBKRINIZSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)CSS(=O)(=O)c2ccccc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWIAQELQPOEOCX-WYBXAQPNSA-N", "SMILES:Cc1ccc(S(=O)(=O)SC[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCN(C)CC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWAAWFDGHSLBCT-SKCIXKRKSA-N", "SMILES:COc1ccc(S(=O)(=O)SC[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCN(C)CC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZVXKTWUCIGHS-XQXCFHDDSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)CSS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPJLJZYPMZDIQ-SBKRINIZSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)CSS(=O)(=O)C2CCCCC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIWFCANTYRMORD-UHFFFAOYSA-N", "SMILES:C=CC(c1ccc(O)c(OC)c1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4746218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOHOTHWMIQFAAD-UHFFFAOYSA-N", "SMILES:C=CC(c1ccccc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXNKIKXTGRMLEY-YCBFMBTMSA-N", "SMILES:CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOWKQESOXAJXIS-UHFFFAOYSA-N", "SMILES:CC(C)c1ncncc1NC(=O)Nc1cnc(-n2nccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGSUSOTVCCKAJZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZAXOMNUXPXMKC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXHPBGONQJELK-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIASRXDYFFUED-VIFPVBQESA-N", "SMILES:CO[C@@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBXENSQLRBLTQ-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOLORJXTAGMCL-UHFFFAOYSA-N", "SMILES:CC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFJWYHYHQZAUHQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2ccccc2c1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTBAQHOCUVJVEN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2ccccc2c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJOKTIDSLVYECO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2cc(Cl)ccc2c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROMLJWGZZEFRO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2ccc(Cl)cc2c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHHKKZXMHOWQSO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2cc(F)ccc2c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXHVKCWSUPLNAW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2ccc(F)cc2c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWBNHBXKAPMRL-UHFFFAOYSA-N", "SMILES:COc1ccc2ncc(NC(=O)Nc3cnc(-n4nccn4)c(Cl)c3)c(C3CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSJYBDVDGVNPC-UHFFFAOYSA-N", "SMILES:COC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIEDYHVYKILSKN-UHFFFAOYSA-N", "SMILES:CCOC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIMZISATKGKBB-UHFFFAOYSA-N", "SMILES:COC(C)(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZDPIMOXXTUESE-UHFFFAOYSA-N", "SMILES:CC(O)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYAHNQFAVPZGFW-UHFFFAOYSA-N", "SMILES:COC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIDWJDKZIAQFAA-UHFFFAOYSA-N", "SMILES:CCOC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQVBBLHAWXZJRX-UHFFFAOYSA-N", "SMILES:COC(C)(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOPHOJBBUHVCIW-UHFFFAOYSA-N", "SMILES:CC(O)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSUSMBKQDWEMI-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C3CC3)c(NC(=O)Nc3cnc(-n4nccn4)c(Cl)c3)cnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVZCLDJATOQBFI-UHFFFAOYSA-N", "SMILES:COC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMGYABGGMNRNSB-UHFFFAOYSA-N", "SMILES:CCOC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVHAPNMMLBLMK-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(C)O)c(NC(=O)Nc3cnc(-n4nccn4)c(Cl)c3)cnc2s1"]}
{"name": "Cathepsin E", "xref": ["CHEMBL.TARGET:CHEMBL3092"], "id": "UniProtKB:P14091", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFKUUNLQBRXJX-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXHLHXLTQCEGE-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3ccc(F)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUBTLMSWPIBBP-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3ccc(Cl)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YULUHUJTIHWRMI-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3ccc(I)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUOOWOPCQJQWDH-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3cc(F)ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQBCGJHTNUEME-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3cc(Cl)ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVUVMZJTEXYQNS-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3cc(Br)ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGFLIBPJHOZGNC-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3cc(I)ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL530635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPWOHBGDJPLADA-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3ccc(C(C)(C)C)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHESYZXOYPHUOT-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3ccc(C#N)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIJMNYAAVTQPT-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3ccc(S(C)(=O)=O)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKLSPSFZXNNVKC-UHFFFAOYSA-N", "SMILES:COc1ccc2nccc(Nc3cc(OC)c(OC)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL311959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPGLYMWNDRFGZ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRKVQPWSPUXGKV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)ccnc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4746133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUOMMWFBQZVLNC-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWQIEISIMYCHD-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3cc(C#N)ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYXEJMRZBYWMY-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncnc3ccc(C(F)(F)F)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCLGALJLEXYFKZ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccnc3ccc(C(F)(F)F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTQCCFMFWASHK-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)c2ccnc3ccc(C(F)(F)F)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL535429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNCPEIOPMEIGV-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccnc3ccc(C(F)(F)F)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGGVZWZAZUBRKG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(-c4ccncc4)ccc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMJUOWMJKLAIE-XVQBVDMMSA-N", "SMILES:Cl.NCCO/N=C1C(=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)/Nc2ccc(O)cc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXNIEIGMQDYRP-SVBPBHIXSA-N", "SMILES:CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"name": "Signal peptide peptidase-like 2A", "xref": ["CHEMBL.TARGET:CHEMBL4105833"], "id": "UniProtKB:Q8TCT8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNNFJZLGVGPNGQ-PMACEKPBSA-N", "SMILES:CC(C)CN(C[C@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZSHYKDKXBISOU-OALUTQOASA-N", "SMILES:CC(C)CN(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYQRNCANJYCFSS-ROUUACIJSA-N", "SMILES:CC(C)(O)CN(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRTOZWSBIAFONY-ROUUACIJSA-N", "SMILES:CC(C)ON(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGXZEBGEBDJZBV-VXKWHMMOSA-N", "SMILES:N[C@@H](c1ccccc1)[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARWOPOLXQPLTLP-OALUTQOASA-N", "SMILES:N[C@@H](c1ccccc1)[C@@H](O)CN(C1CCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNPVATWDKVQBL-VXKWHMMOSA-N", "SMILES:N[C@@H](c1ccccc1)[C@@H](O)CN(C1CCCCCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGJGYGQVXVFTC-ROUUACIJSA-N", "SMILES:N[C@@H](c1ccccc1)[C@@H](O)CN(C1COC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWAMMIIKDRBEAN-OALUTQOASA-N", "SMILES:CC1(N(C[C@H](O)[C@@H](N)c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJCNOSYFEBIYSJ-DQEYMECFSA-N", "SMILES:CC1(C)CCC(C)(C)c2cc(S(=O)(=O)N(C[C@H](O)[C@@H](N)c3ccccc3)C3CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCSDMZMTLQPVDG-ICSRJNTNSA-N", "SMILES:N[C@@H](c1ccccc1)[C@@H](O)CN(C1CCC1)S(=O)(=O)c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUNWYCQZFKZMR-VXKWHMMOSA-N", "SMILES:CC(C)(C)c1cccc(S(=O)(=O)N(C[C@H](O)[C@@H](N)c2ccccc2)C2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LASAJHIMIVAYCX-VXKWHMMOSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)N(C[C@H](O)[C@@H](N)c2ccccc2)C2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEEHEUGOPCFXAV-VXKWHMMOSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)N(C[C@H](O)[C@@H](N)c2ccc(OC(F)(F)F)cc2)C2CCC2)cc1"]}
{"name": "Signal peptide peptidase-like 2B", "xref": ["CHEMBL.TARGET:CHEMBL4105912"], "id": "UniProtKB:Q8TCT7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORRDVHOURHODX-RBUKOAKNSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXDSEFSJXGLOIL-RBUKOAKNSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(S(F)(F)(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQTOGFREMHSJJS-VQTJNVASSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(C(C)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL529874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDACVCCXDZOTC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2C)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL596852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHNYHPLYYIAEP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(Cc4ccc5[nH]c(-c6ccc(OC)cc6)nc5c4)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRCZENZERHHISS-UHFFFAOYSA-N", "SMILES:CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGHXXCRHWODHH-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nc3cc(Oc4ccc(Oc5ccc6[nH]c(-c7ccc(N)cc7)nc6c5)cc4)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSVCVIYQCAHPK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL527541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLBPEFJUBUZMX-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2c(O)c1CC=C(Cl)Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1198369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZFXKVXUQPPZJU-UHFFFAOYSA-N", "SMILES:CCCCCn1c(=N)n(CC(O)COc2cccc(C)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL529603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQHCMSUQDTMSF-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL531738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPWXHTXMBIOHKI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C)c2cc(CNCCNc3ccnc4cc(Cl)ccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL586078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIVFVYUMESTSJC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL532015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHKAIZZULJHVRC-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL580819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFJMXMMPYVXLFE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(NC(=O)c2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVJPNYGWKLOKTR-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ncnc2c1[nH]c1ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL580388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQJNQURMLQTVGE-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1F)N(Cc1ccc(Cl)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENYQAIEIIEHTE-UHFFFAOYSA-N", "SMILES:CC(C)OCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL338094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHYRELLXJDJBHO-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nnc(-c3ccc(Br)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1744512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIIJJSVNYMYHHB-RVDMUPIBSA-N", "SMILES:COc1ccc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL534612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APMHAUXGTHQWRF-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCc3ccccc3)c2=N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL546799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUOPSPFQSXVSK-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBJTYVJVJERPH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2c3ccc4ccccc4c3Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL533598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVNAHIYRPRUQQY-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC(c2ccc(Cl)cc2Cl)c2cc(Cl)c3cccnc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL536393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMASMBWBAZCNKJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL548209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUWNIHBUXBXKG-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nc3cc(Cc4ccc5[nH]c(-c6ccc(N)cc6)nc5c4)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCHXPMOIMAHZOG-UHFFFAOYSA-N", "SMILES:O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1197927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTUVFPJQCSGIT-UHFFFAOYSA-N", "SMILES:CC(O)(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLAOBVTVUUPGH-FMIVXFBMSA-N", "SMILES:CCOc1ccc(/C=C/c2nc(=O)c3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYWAOSYDNLSUNS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAPBALWUJAIERZ-UHFFFAOYSA-N", "SMILES:CCCc1c(CC)c(=N)c2ccccc2n1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL583682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQINXLFRYGCJDZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)ON=C(N)Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEYKIWAZBBXJK-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(=C(Cl)Cl)c2ccc(O)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL600558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUOFLIYGLOGPNZ-CXUHLZMHSA-N", "SMILES:COc1ccc(/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYAJWBXKKMDFW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL547266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDWDKVACVMXAO-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRXAXDGAQMJDP-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NC(c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL599100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIXVRIIZYQKQQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC(c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL580188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIEQMPSZRNQVTH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTIUAYUQKWPSI-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)N1c2ccccc2N=C2CC(c3ccc(OC)c(OC)c3)CC(O)=C2C1c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL532155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVFMMXVDSJFVNO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2cc(C(=O)NCCCN3CCCCCC3)sc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHDVCAJNNWLPS-UHFFFAOYSA-N", "SMILES:Cl.Cl.Clc1cc(Br)ccc1-c1ccc(CNCC2CCNCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1197885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXAHZBLJKKTYRX-UHFFFAOYSA-N", "SMILES:CCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1198334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOCUWZXJBAUSQ-UHFFFAOYSA-N", "SMILES:COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL582070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWMLVDDPYXCXLQ-UHFFFAOYSA-N", "SMILES:COc1nc(Nc2ccc(C(C)C)cc2)nc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL579294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAUNGXOLCAXCQZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2N(C)c3ccccc3N2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1619026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPNXIOHGRPOPIQ-UHFFFAOYSA-N", "SMILES:CCOc1cc(CNC(C)C(O)c2ccccc2)cc(Cl)c1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGEHZPOONRJVHB-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL605281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGNTZQIHXXXLLH-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2c3ccccc3C(=O)N(CC(C)C)C2c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOFJXFVCJQXBL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2ccc(CC)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL527593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDRIKAAFJMYGX-UHFFFAOYSA-N", "SMILES:O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)cc2Cl)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL470514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRBIEGWIQBOCM-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(-c3ccccn3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL581475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLBJJWICAOVTHR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3[nH]2)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXQJJBRAANNIDY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(N(C)C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL587410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMWJGNXJQSAFH-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1C1Nc2ccc3ccccc3c2C2=C1C(=O)CC(c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL529732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLDOLAQOJSJQS-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=O)C3C(C2=O)C2(c4ccccc4)C(=O)C3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBMOUZLBAYJRN-OUKQBFOZSA-N", "SMILES:CCCCCCc1cc2cc(-c3csc(/C=C/c4ccccc4)n3)c(=O)oc2cc1O"]}
{"name": "Cathepsin B", "xref": ["CHEMBL.TARGET:CHEMBL2602"], "id": "UniProtKB:P00787", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIJSNDIIGEBCB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CC2(C1)CN(c1ncc(OCc3ccncc3C#N)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STEXUOBWQLSVBF-XMHGGMMESA-N", "SMILES:O=C(N/N=C/c1ccccc1)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIODLOMLRUKQIP-KGENOOAVSA-N", "SMILES:COc1cccc(/C=N/NC(=O)N2CCN(c3ccccn3)CC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJWCVJWFWNSQI-HYARGMPZSA-N", "SMILES:COc1cc(/C=N/NC(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCBJXZCMZTCKJ-CPNJWEJPSA-N", "SMILES:O=C(N/N=C/c1ccc(O)cc1)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARPWBQZXQIRDJX-CPNJWEJPSA-N", "SMILES:O=C(N/N=C/c1ccccc1O)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZVREJFRQRDRN-XDHOZWIPSA-N", "SMILES:O=C(N/N=C/c1ccc(O)cc1O)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCMDTJKJOPROCK-XSFVSMFZSA-N", "SMILES:Cc1cccc(/C=N/NC(=O)N2CCN(c3ccccn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXXLYDKWJOYVAM-XSFVSMFZSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)N2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVJLFXHXPOQPS-CPNJWEJPSA-N", "SMILES:O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXEQAWVHVFYXJD-YDZHTSKRSA-N", "SMILES:O=C(N/N=C/c1ccc(C(F)(F)F)cc1)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFWRCFXMCMCJZ-YDZHTSKRSA-N", "SMILES:O=C(N/N=C/c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVGUUFXJKYXVCE-DEDYPNTBSA-N", "SMILES:O=C(N/N=C/c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDMQFNXWGNSNBR-DEDYPNTBSA-N", "SMILES:O=C(N/N=C/c1ccc(F)cc1)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTFNVENKXHSUIQ-DEDYPNTBSA-N", "SMILES:O=C(N/N=C/c1ccc(Br)cc1)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDZFARBGYZRYRF-CIAFOILYSA-N", "SMILES:O=C(N/N=C/c1ccc(F)cc1F)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMHQAWRLMBPET-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKEASALJUMYWFO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPBDMKHPKACUMT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNZOYNZEQEQRF-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCUYMFWFASKLTP-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nnc(N2CCN(c3ccccn3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAIEWGYPKPAOR-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPJRBVIGIXBMJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYOUWOYXCLTLH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFFQCZLSZQGOOU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSUCJZRGMBQGJK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQCXVHYEWNJWKF-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBIVDYZJPVDUPZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXRSUUCBQJQXFN-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGMDVMWMCVEIDI-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDYATWHUSHCNRV-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKQWLWXRLTHCV-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(CC(C)F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPKWKAQXXADIE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)Cc1c[nH]c2ncnc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGHAARKZVZJLCP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)Cc1c[nH]c2ncnc(-c3cccc(NC(=O)c4ccc(C5CC5)cc4)c3C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFLVDTFDRYUIFX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)Cc1c[nH]c2ncnc(-c3cc(F)cc(NC(=O)c4ccc(C5CC5)cc4)c3C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZYRBRDNSWQOQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)C(=O)Cc1c[nH]c2ncnc(-c3cc(F)cc(NC(=O)c4ccc(C5CC5)cc4)c3C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJYTLMRYODQOH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(O)(c2c[nH]c3ncnc(-c4cc(F)cc(NC(=O)c5ccc(C6CC6)cc5)c4C)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAGPFKIMLOXSX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2c[nH]c3ncnc(-c4cc(F)cc(NC(=O)c5ccc(C6CC6)cc5)c4C)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSKCZEFIQCPTOC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(c2c[nH]c3ncnc(-c4cc(F)cc(NC(=O)c5ccc(C6CC6)cc5)c4C)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAPQALFNYGEEFQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2c[nH]c3ncnc(-c4cc(F)cc(NC(=O)c5ccc(C6CC6)cc5)c4C)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDMFPYJIPPNZEM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4cc(F)cc(NC(=O)c5ccc(C6CC6)cc5)c4C)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQACMSOEMWACN-SNAWJCMRSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C3CC3)cc2)cc(F)cc1-c1ncnc2[nH]cc(C3=CCN(C(=O)/C=C/CN4CCCC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKILZSPSKAQAMC-ONEGZZNKSA-N", "SMILES:C/C=C/C(=O)N1CC=C(c2c[nH]c3ncnc(-c4cc(F)cc(NC(=O)c5ccc(C6CC6)cc5)c4C)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNICMXWRXRIHFP-UHFFFAOYSA-N", "SMILES:CCC(=O)N(C)Cc1c[nH]c2ncnc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVLLOMIUXKXBM-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1ncnc2[nH]c(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZVYLEDIUUZTCW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSJSHEXWIGDLOO-SNVBAGLBSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPHJTSPBGJDAR-PHIMTYICSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)nc(N3[C@@H]4CC[C@H]3COC4)n2)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQGAWYMZNALSQI-PHIMTYICSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)nc(N3C[C@H]4CC[C@@H](C3)O4)n2)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFEFLAPGFZKREV-OBGWFSINSA-N", "SMILES:CCCCCCCCn1c2ccc(C(C)=O)cc2c2cc(C(=O)/C=C/c3ccccc3Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVWRRVUHLBRJHW-WOJGMQOQSA-N", "SMILES:CCCCCCCCn1c2ccc(C(C)=O)cc2c2cc(C(=O)/C=C/c3ccc(Cl)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXZAQFVBTZPRQF-SFQUDFHCSA-N", "SMILES:CCCCCCCCn1c2ccc(C(C)=O)cc2c2cc(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMUCAGIWZIZIC-XDHOZWIPSA-N", "SMILES:CCCCCCCCn1c2ccc(C(C)=O)cc2c2cc(C(=O)/C=C/c3ccc(OC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFZLSGCCONOFJ-SFQUDFHCSA-N", "SMILES:CCCCCCCCn1c2ccc(C(C)=O)cc2c2cc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPJMMPCZRFCFR-DTQAZKPQSA-N", "SMILES:CCCCCCCCn1c2ccc(C(C)=O)cc2c2cc(C(=O)/C=C/c3ccco3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260876", "category": ["biolink:ChemicalEntity"], "name": "THIOUREA", "xref": ["InChIKey:UMGDCJDMYOKAJW-UHFFFAOYSA-N", "SMILES:NC(N)=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4777883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXRJQOMBMBSPV-DEDYPNTBSA-N", "SMILES:CCCCCCCCn1c2ccc(C(C)=O)cc2c2cc(C(=O)/C=C/c3ccc(N(C)C)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCGYXEVLQIIEJH-UHFFFAOYSA-N", "SMILES:CNC(=O)COc1cc2cc(Nc3nc(N4CCC(C(=O)N(C)C)CC4)ncc3Cl)cc(OC)c2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIVBFLKFTLQDJX-GASCZTMLSA-N", "SMILES:CNC(=O)COc1cc2cc(Nc3nc(N4C[C@H](C)C[C@H](C)C4)ncc3Cl)cc(OC)c2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWNBHCZYXWDOV-WRXOINPPSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=CC3CC4C(C)(C)OC(C/C=C(\\C)C(=O)O)(C3=O)C14O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4777537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJVIXXMFVHPER-PIZOZCJOSA-N", "SMILES:CCOCCNC(=O)/C(C)=C/CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c(C/C=C(\\C)CCC=C(C)C)c(O)c(CC=C(C)C)c5OC431)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONMOMUOZGIDET-HIFRSBDPSA-N", "SMILES:C[C@@H]1CCN(C(=O)N2CCCC2)C[C@@H]1N(C)c1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098877", "category": ["biolink:ChemicalEntity"], "name": "MLi-2", "xref": ["InChIKey:ATUUNJCZCOMUKD-OKILXGFUSA-N", "SMILES:C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)O1"], "synonym": ["Merck lrrk2 inhibitor-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTRNJQOBEOISFQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPZYAHONNHULX-CJBSCAABSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)OC)C(c1ccccc1)c1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASQXYGAONBBSHT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2ncc(Cl)c(Nc3ccc(Cl)cc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFLWTZSJYBCPF-UHFFFAOYSA-N", "SMILES:CCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBPVFCNYKUENHU-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCN(CCCCCCNC(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756476", "category": ["biolink:ChemicalEntity"], "name": "NEMTABRUTINIB", "xref": ["InChIKey:JSFCZQSJQXFJDS-QAPCUYQASA-N", "SMILES:O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12"], "synonym": ["Nemtabrutinib", "ARQ-531", "MK-1026", "Nemtabrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNZQNWKBKUAII-KSSFIOAISA-N", "SMILES:O=C(Nc1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBIHOVSAMBXIB-SJCJKPOMSA-N", "SMILES:C[C@H]1CCc2ncc(F)cc2[C@@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZPMBJMMRTJEH-WEZIJMHWSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)OC3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSONWRHLFZYHIN-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDJDJQFPKUMAF-SFHVURJKSA-N", "SMILES:NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2cc(-c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJVDIBTZNDJXEE-JMHPHXCKSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEJIGLZXBQVUAW-KZDDHRSZSA-N", "SMILES:CCCCCC(=O)N1CC(F)(F)C[C@@H]1C(=O)N(C)[C@H](C(=O)N[C@@H](CCNC(=O)c1ccccc1)C(=O)NO)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1409442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTRRVUORWPRGF-UHFFFAOYSA-N", "SMILES:CCCc1cc(O)nc(SCC(=O)Nc2ccc(OC(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZADCDCMLLGDCRM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJYGVDTJGJMMD-UHFFFAOYSA-N", "SMILES:O=C(CCCSc1nc(=O)c2c([nH]1)CCCC2)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJVPODXELZABP-WJSYBBSYSA-N", "SMILES:CC(C)C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCNCCCN)CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3613749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDUVEGCMXCMSO-FQEVSTJZSA-N", "SMILES:Cc1ncc(Cl)cc1NCc1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1434615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHNHVCFKYIXPU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnc3n(Cc4ccccc4Cl)c(=O)c4ccccc4n23)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGSJIDJUCFQEX-QFIPXVFZSA-N", "SMILES:COc1cccc(-c2nnc3n(Cc4ccc(C(=O)N5CCC[C@H]5C(=O)O)cc4Cl)c(=O)c4ccccc4n23)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEJITBHMBLVYPB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(O)c(-c2nnc3n(Cc4ccccc4Cl)c(=O)c4ccccc4n23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYFWRBPXNZFHDR-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)n[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLGYKDSMXLVFU-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3sc(-c4cccc(Cl)c4Cl)nn3c2CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXXQOPZQAAQMF-KSTQFJLCSA-N", "SMILES:C[C@@H]1OCC2(CCC(c3cnc4nc(Sc5ccnc(N6CCCC6)c5Cl)ccc4n3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMLGRJLGUDSJZ-OYHNWAKOSA-N", "SMILES:Cc1c(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)nc(C)n(-c2ccc(Oc3ccn(C)n3)c(Cl)c2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVBRXRTCUTPGF-UHFFFAOYSA-N", "SMILES:CC1(CN)CCN(c2ncc(Sc3cccc(Cl)c3Cl)[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZKPKLAFWZONRV-XJFVKYJOSA-N", "SMILES:N[C@H]1C[C@@H]2CC[C@H]([C@H]1F)N2c1nc2[nH]nc(-c3ccc4ncsc4c3Cl)c2nc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSKZRTOEQMHZLX-OAHLLOKOSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2ncsc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKUYEYLZXGGCRD-ORAYPTAESA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c(CO)nc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QROQTLNVCIGXBV-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4F)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPXLZOGUIFJFW-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCC3(CC2)CC2CC2C3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIUGYEURYFTFFQ-MRXNPFEDSA-N", "SMILES:Nc1nc(N2CCC3(CC2)c2ccccc2C[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKLARGYVMOWIX-GOSISDBHSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWOIBDNAYKHIF-QGZVFWFLSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2ccncc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HESMLNQOTOVZRA-QGZVFWFLSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2cnccc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKBTDJJEQQEGE-UHFFFAOYSA-N", "SMILES:CCc1oc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4740286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZOJWRSBEIBPBF-GOSISDBHSA-N", "SMILES:N[C@@H]1CCCC12CCN(c1cc(O)c(Sc3cccc(Cl)c3Cl)nc1CO)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMKQJMLIEOFOHW-GOSISDBHSA-N", "SMILES:Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c2cncn2c1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVSNMBRLYUYQI-GOSISDBHSA-N", "SMILES:Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccc(NC(=O)c2c(O)nc3n(c2=O)CCCC3)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTSSQVKMKXPJB-CQSZACIVSA-N", "SMILES:Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYZZCXHBYCBNEC-CQSZACIVSA-N", "SMILES:Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRNFWNEHIBURH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3ccccc3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFLOCDQLXUNJMN-PCSBKRIDSA-N", "SMILES:CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C=C(\\C)C(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGAHENZAMVYCU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4cccc5ccccc45)nnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDNPRTPXIFZKBA-FLFQWRMESA-N", "SMILES:Cc1ccc(N2N=C(c3ccc([N+](=O)[O-])cc3)/C(=N/Nc3ccc(S(=O)(=O)O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSBYAWQEIFUNLD-FLFQWRMESA-N", "SMILES:COc1ccc(N2N=C(c3ccc([N+](=O)[O-])cc3)/C(=N/Nc3ccc(S(=O)(=O)O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUZJOGLRKYFKJ-OOAXWGSJSA-N", "SMILES:O=C1/C(=N\\Nc2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHQLSYWPGHMSAJ-GFMRDNFCSA-N", "SMILES:O=C1/C(=N\\Nc2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMKFRACKIHNRN-ATJXCDBQSA-N", "SMILES:O=C1/C(=N\\Nc2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQSBJOMLQLAKC-ATJXCDBQSA-N", "SMILES:O=C1/C(=N\\Nc2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKJJBHEVRIXJS-ROMGYVFFSA-N", "SMILES:CCOC(=O)c1ccc(N2N=C(c3ccc([N+](=O)[O-])cc3)/C(=N/Nc3ccc(S(=O)(=O)O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKOYIUYWMSVYKN-IRXDYDNUSA-N", "SMILES:NC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFRRGQXSMKOSOQ-UARRHKHWSA-N", "SMILES:c1cc(CN2CCCC2)cc(-c2nnnn2[C@H]2CO[C@@H]3C[C@@H](NCC4CCCCC4)O[C@@H]32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMNAKAUBHYLUQT-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(O)ncc(-c3cc(F)c(F)c(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513510", "category": ["biolink:ChemicalEntity"], "name": "ASP-9521", "xref": ["InChIKey:OXSCPDKUZWPWFR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)cc2c1"], "synonym": ["Asp-9521", "Asp9521", "ASP 9521"]}
{"name": "Aldo-keto reductase family 1 member C4", "xref": ["CHEMBL.TARGET:CHEMBL4999"], "id": "UniProtKB:P17516", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEBLYSMOATYNAJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2ccc([N+](=O)[O-])c3c([N+](=O)[O-])cccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTVWFZNHZAQDRY-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Nc2cccc(C(=O)O)c2)c2ccccc12"]}
{"name": "Aldo-keto reductase family 1 member C2", "xref": ["CHEMBL.TARGET:CHEMBL5847"], "id": "UniProtKB:P52895", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDAAJXSISJLIBF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CCNC(C)=O)cn2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295124", "category": ["biolink:ChemicalEntity"], "name": "BERBERINE", "xref": ["InChIKey:YBHILYKTIRIUTE-UHFFFAOYSA-N", "SMILES:COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2"], "synonym": ["Berberine", "Berbericine", "Berberin", "Berberine", "Berberone", "Majarine", "Thalsine", "Umbellatin", "Umbellatine"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL457605", "category": ["biolink:ChemicalEntity"], "name": "TAZETTINE", "xref": ["InChIKey:YLWAQARRNQVEHD-PBZHRCKQSA-N", "SMILES:CO[C@@H]1C=C[C@@]23c4cc5c(cc4CO[C@]2(O)CN(C)[C@H]3C1)OCO5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL461150", "category": ["biolink:ChemicalEntity"], "name": "METHYL JASMONATE", "xref": ["InChIKey:GEWDNTWNSAZUDX-PLNGDYQASA-N", "SMILES:CC/C=C\\CC1C(=O)CCC1CC(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL267484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXBAPSDXZZRGB-CGRWFSSPSA-N", "SMILES:CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL103579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMXCMJLOPOFPBT-UHFFFAOYSA-N", "SMILES:CC(C)C(CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL52387", "category": ["biolink:ChemicalEntity"], "name": "(RS)-ROSCOVITINE", "xref": ["InChIKey:BTIHMVBBUGXLCJ-UHFFFAOYSA-N", "SMILES:CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2204196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGILLUBNDPLABH-KRWDZBQOSA-N", "SMILES:COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OCCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJYRSCOGNMDRK-KRWDZBQOSA-N", "SMILES:CCCCCCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNEYBDJYRHSGFC-INIZCTEOSA-N", "SMILES:COc1cc(C(=O)O)c(NC(=O)N[C@@H](C)c2ccccc2)cc1OCCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKZFGWCYRDZLZ-KRWDZBQOSA-N", "SMILES:COc1ccc(NC(=O)N[C@@H](C)c2ccccc2OC)cc1OCCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOXWMGIJZSBBEW-SONRMIBWSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2cccnc21)c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPBFPBAFCGZOAS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(OCc3cccc(C(=O)O)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDHKCZQEUNKJHG-VWLOTQADSA-N", "SMILES:Cn1cc(NC(=O)N2CCC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHXPWOYQRNXOAU-TXINQBHHSA-N", "SMILES:O=C(CCC/C=C\\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753043", "category": ["biolink:ChemicalEntity"], "name": "NETARSUDIL-M1", "xref": ["InChIKey:LTXBFJFJUIJOQE-GOSISDBHSA-N", "SMILES:NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1"], "synonym": ["Netarsudil-m1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594250", "category": ["biolink:ChemicalEntity"], "name": "NETARSUDIL", "xref": ["InChIKey:OURRXQUGYQRVML-AREMUKBSSA-N", "SMILES:Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1"], "synonym": ["Netarsudil", "Netarsudil", "Netarsudil", "Netarsudil", "AR-11324 FREE BASE", "AR-13324", "Netarsudil"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3185765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTVBXQAYBIJXRP-UHFFFAOYSA-N", "SMILES:CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMMYPMUOWJEQI-RTXFEEFZSA-N", "SMILES:NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYUFPRPRATUNE-DQSJHHFOSA-N", "SMILES:CN(C)c1ccc(/N=N\\c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCEYHKKUIBHLOB-UHFFFAOYSA-N", "SMILES:N#CCc1cccc(-c2ccc(OCCC(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTLAECLFZXWEMD-UHFFFAOYSA-N", "SMILES:Cc1cccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL115406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLMNGXLPBJRYFI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(Br)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URRKGBLRIVECAH-YTTGMZPUSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKHWJUMLYAYZFS-ONEGZZNKSA-N", "SMILES:COC(=O)c1c(O)cccc1OC/C=C/c1ccc(F)c(-c2cc(C(=O)O)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL422849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTZTJFXNZOBIQ-ZDUSSCGKSA-N", "SMILES:O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBUASXAIYKZEKU-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(-c2ccco2)c1CCCCN(C)c1ncnc2nc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEQHOCLLWCPVHH-GZTJUZNOSA-N", "SMILES:CCn1c2ccccc2c2cc(/C=N/OC)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKIMWRSLZXAMIW-WEVVVXLNSA-N", "SMILES:CO/N=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOOXOSSUALIGRD-RYQLWAFASA-N", "SMILES:CCn1c2ccccc2c2cc(/C=N/OCCO/N=C/c3ccc(O)c(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3647424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCMPTJMHPJQEED-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNC(=O)NCc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTRDNEOWTJUMQS-UHFFFAOYSA-N", "SMILES:CSc1ccccc1C1CCCN1C(=O)C(NC(=O)NCc1ccc(N)cc1)c1ccccc1"]}
{"name": "Peptidyl-prolyl cis-trans isomerase B", "xref": ["CHEMBL.TARGET:CHEMBL2075"], "id": "UniProtKB:P23284", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUOWSNAZOQEWCS-RSLFNQERSA-N", "SMILES:CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)C=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZIJEHNHNLJSSH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2nc3cc(N)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXYKYWQZALWLJR-RZOIZYEBSA-N", "SMILES:CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CNc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAWOOURUFUHFID-QGZVFWFLSA-N", "SMILES:O=C(O)CNC(=O)[C@@H](COCc1ccccc1)NS(=O)(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHOGNBXWAZDZBM-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJPCNAPBKYKMA-XMMPIXPASA-N", "SMILES:N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJRGTMSMVLPLB-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLQLTZEFQXLCJ-UHFFFAOYSA-O", "SMILES:C#CCCCCCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJDJYROPKCEBO-UHFFFAOYSA-O", "SMILES:Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cnnn1CNc1c3c(nc4ccccc14)CCCC3)c1cc(N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPBJLFAWHZIGBH-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(C(=O)NO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQAEOSEJSMFAW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSRJYOXQLYCTD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2cnnn2CC23CC4CC(CC(C4)C2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCLXSHAWFUUDKF-FQEVSTJZSA-N", "SMILES:CNC(=O)NC(=N)NCCC[C@H](NC(=O)CN=[N+]=[N-])C(=O)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4245260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YASCYEPUKAYRJI-IPZIAFNWSA-N", "SMILES:CNC(=O)NC(=N)NCCC[C@H](NC(=O)Cn1nncc1CO/N=C/c1ccnc2ccccc12)C(=O)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZOBOAHCWXVNEO-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBUAKDPVYBEAFM-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1ccc2[nH]nc(CN(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOXNKJCQBRQUMS-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1CCOc1c(-c2ccc3c(c2)c(CN(C)C)nn3C)ccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKEDWXLWEPQNQM-OGBFJMLUSA-N", "SMILES:Cc1cc(C)c(/C=N/NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c(C)c1"]}
{"name": "Endothiapepsin", "xref": ["CHEMBL.TARGET:CHEMBL1075067"], "id": "UniProtKB:P11838", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYCKVEPDVWBIOR-KTGRAOHMSA-N", "SMILES:NC(Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc(/C=N/NC(=O)C(N)Cc2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPRBHZXBAWDRJ-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILITSUGMYISKM-YOMVXEAQSA-N", "SMILES:CC1(CO)CC[C@]2(O)C(=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4759155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZGFUUOLVSYIC-ZFECRFILSA-N", "SMILES:CC1(C)CC[C@]2(O)C(=O)C[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4790912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKANZLKEKNCEGB-DTLFXVNBSA-N", "SMILES:CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(O)C(=O)C[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)C(=O)C[C@@H](O)[C@]3(C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJQTKZCDZQJLF-RFNJTDTDSA-N", "SMILES:CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(O)C(=O)C[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHAAHKDGHYHAU-PXNSSMCTSA-N", "SMILES:CCC1=C(Cc2ccoc2)C(=O)[C@@]2(C)CCCC(C)(C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4791715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSJSFCRCGGARIK-RUTXASTPSA-N", "SMILES:CC1=C(CCC2CCOC2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUPCRWXGUTVGRY-KZDDWAPESA-N", "SMILES:CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2C/C1=N/OC(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEKBCWHEVAXWCO-NDUJNGQBSA-N", "SMILES:CCCCCCCCCCCC(=O)O/N=C1/C[C@H]2C(C)(C)CCC[C@]2(C)C(CCc2ccoc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMUMEQHSGMHFO-BLBAOWACSA-N", "SMILES:CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2C/C1=N/OC(=O)c1ccc(C(=O)O/N=C2/C[C@H]3C(C)(C)CCC[C@]3(C)C(CCc3ccoc3)=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3183703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUUSXLKCTQDPGL-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471306", "category": ["biolink:ChemicalEntity"], "name": "QUEMLICLUSTAT", "xref": ["InChIKey:MFYLCAMJNGIULC-KCVUFLITSA-N", "SMILES:C[C@H](Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F"], "synonym": ["Quemliclustat", "Ab680", "Quemliclustat", "AB-680", "AB680", "Quemliclustat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJVDXWVVGFWSE-KCVUFLITSA-N", "SMILES:C[C@H](Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QISFOZQPGMLQOV-ZBFVOTQZSA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUVPUCHBZBCLR-ACFNIHOCSA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWFRGJZEWIWENB-ZBFVOTQZSA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHFATTWTUMJQT-ACFNIHOCSA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRPYAFHFWFVPX-ZBFVOTQZSA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXCJIIJAKSRDS-ACFNIHOCSA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXTWICBRMULOC-GLXAKMLGSA-N", "SMILES:C[C@@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXTWICBRMULOC-KXELVBGISA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMAWKQTHDXPAT-VMUDFCTBSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFTWTQKEWHLKFB-RTWAVKEYSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVSVGVDQVCPQR-FRRILYKYSA-N", "SMILES:C[C@@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVSVGVDQVCPQR-KSMPBXBHSA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBIQPDYVNQTDMV-UMPJEAMMSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZOVJMPFGXZPFV-NWJSVONSSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWCEMPDDQKQPG-QEFRFWECSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(C(O)C4CCOCC4)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHTWCKBIYUDERF-MAIBGOPTSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(C(O)c4ccccc4)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPFGAXBAYRANDO-DVIROCFPSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(C(O)C4CC4)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSOUTZBZMGJCQ-VPSJLMRDSA-N", "SMILES:COCc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRVFCNLSLUAMKT-YDOBTQPPSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(CCc4ccccc4)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBEZMRYZLIRXCV-YBLQJDFOSA-N", "SMILES:C#Cc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTVAQNGCAUYFQ-DPQLKAKJSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cc4ccccc4)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSFLTRXMFZBSPF-DSPLJNTKSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(-c4ccccc4)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJYSLUTYHOOOSE-SCFUHWHPSA-N", "SMILES:COc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXIRIUARNERMJ-QTQZEZTPSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(N4CCCC4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQWFPMFJIPUMG-SCFUHWHPSA-N", "SMILES:CNc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCUMRVLLPKRLJF-DMVWFOPNSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(C(F)(F)F)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEQQDLAMOXOEFI-AEVYOOLXSA-N", "SMILES:CCc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYJMJNOLJZBNW-NVQRDWNXSA-N", "SMILES:Cc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCNOWTPZOIKYMC-QHHYFVSCSA-N", "SMILES:Cc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPUJKBYXASKRU-DMVWFOPNSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHYKZVRHOUYRBI-ZFHGCVPZSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N4Cc5ccccc5C4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWQUZDGICBZRV-DDFXLWFNSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccncc4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMMDEIMNKQOAW-KPLLRRJNSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCOC4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLRDSGJKVYZTCT-SZRLZVLASA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N4CCCC4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWMOJJSQSBMBFB-DMVWFOPNSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(Cl)cc4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQTHDETUFUUVEM-DMVWFOPNSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHVGQXKEANXJN-DMVWFOPNSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKCXDQYXBFDFO-QHOAOGIMSA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZKWAAQWCZDTB-BGPYGQKOSA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKCXDQYXBFDFO-DPHITLOKSA-N", "SMILES:C[C@@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZKWAAQWCZDTB-IEEAGMDHSA-N", "SMILES:C[C@@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBDYQMSZNNVEBJ-LSCFUAHRSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPWDVNAHTXSWKW-DMVWFOPNSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDQXVQHXCAXDQP-XNIJJKJLSA-N", "SMILES:CN(c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZLSEUOBSQPEH-DDFXLWFNSA-N", "SMILES:CN(c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHHWLGRDPOFERO-SDBHATRESA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTUYMLPAOZQHW-KVQFHVITSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPKFHBEQPNEKU-QYVSTXNMSA-N", "SMILES:CC(C)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUAHXNZUGUETQ-DHWQRIIYSA-N", "SMILES:CC(C)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVJZHMECXMBSG-QYVSTXNMSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYJQMKJSPUVOZ-DHWQRIIYSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJSHSNXECPIRO-MCOZSMFQSA-N", "SMILES:CCNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACZLSQSBDOPRBQ-WCGPTHBMSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBJKIIEGVDEOV-HUKYDQBMSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPXFTBZVQMXNLH-GQTRHBFLSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCBEFXULMHULH-KQYNXXCUSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"name": "5'-nucleotidase", "xref": ["CHEMBL.TARGET:CHEMBL4680034"], "id": "UniProtKB:Q61503", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMBYYIJBPDWQFF-SCFUHWHPSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387541", "category": ["biolink:ChemicalEntity"], "name": "TETRAHYDROCANNABIVARIN", "xref": ["InChIKey:ZROLHBHDLIHEMS-HUUCEWRRSA-N", "SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"], "synonym": [".delta.9-tetrahydrocannabivarin", "Gwp42004", "Tetrahydrocannabivarin", "Thc-v", "GWP-42004", "GWP42004", "O-4394", "THCV"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTRWQMCLAXICU-ZIAGYGMSSA-N", "SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O)=C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWBCYGUAEGZJRC-HUUCEWRRSA-N", "SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXXVDKGGZIPBOC-KFWWJZLASA-N", "SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@H](O)C(C)=C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748352", "category": ["biolink:ChemicalEntity"], "name": "LXE-408", "xref": ["InChIKey:GNVVPYCWVLCWKV-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ncccc5C)cn4n3)c2)o1"], "synonym": ["Lxe-408", "Lxe408"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMDVSLKCVMKCRK-VIFPVBQESA-N", "SMILES:CC(=O)Oc1c2c(c(C)c3c(C)coc13)[C@@H](C)CCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4636881", "category": ["biolink:ChemicalEntity"], "name": "GSK046", "xref": ["InChIKey:FRBRZGLUFOZRGD-JVPBZIDWSA-N", "SMILES:CC(=O)Nc1c(F)cc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1O[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRDKMDXASZJVNI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSVVBJNLLVLTA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(NC(C)=O)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXLYNJAFAVXMS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)N(C)C)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBHOYPMCFAFPFZ-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(NC(C)=O)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDWDNCLJOXMHSG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCO)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXRHSLBZKYDGV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCN)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDPZWUGPIRDPKJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALINBIYMJCUAFW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCO)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKGEKLUTIMDSZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHAMFBODARLTNX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCC2CCOCC2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWWVHDWDBTWDAF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCC2CCNCC2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHQDTOAZCKMRCE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCC2CCOCC2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCSRVQBJTHVXLE-WGSAOQKQSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTCOWBPEVMQVGB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVCGTKWCTHRUDS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVZQDIOSENVPKF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPGOWAAEARVHKO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIJXQACJOKMDHW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJNOGGKPRDMAD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFQUKIOZUNWBL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCXJCHPPHTOQD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPQZFBHHSCFKB-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2cc(C(=O)NCCCN)ccc2NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIPATWDBLFRMHN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccc(C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJSAETZQYBFQPL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCCN)cc1OC(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCNDIYYWAKZAC-OAHLLOKOSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1O[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCNDIYYWAKZAC-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1O[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKDJKYKQVCMCMV-YSSFQJQWSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1O[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLWZIPUFCNBIGO-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(NC(C)=O)c(OCc2ccccc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQDLXZWJCCFKK-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(OCc2ccccc2)c(NC(C)=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABARGBHTUFZZEA-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(F)c(NC(C)=O)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDVUPNUNZHFJB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NCCc2cnc[nH]2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJIOTBMDLVHTBO-CUYJMHBOSA-N", "SMILES:CC[C@H](N)C(=O)N[C@]1(C#N)C[C@@H]1c1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFYHCQOVRQDMFA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(Oc3ccc4cc(C(=O)NC5CCN(Cc6ccccc6)CC5)c(=O)oc4c3)nn2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCFXAGXHTYRJLE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(Nc2ncnc3ccc(OCc4cn(-c5ccccc5[N+](=O)[O-])nn4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZYAJUYHIQBLF-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc2ncnc(NCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUZKRGELLUSRP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1-n1cc(COc2ccc3ncnc(NCc4ccccc4)c3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGMPHMTHYTJPP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-n2cc(COc3ccc4ncnc(NCc5ccccc5)c4c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXMUEXITTDZDNT-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc2ncnc(N3CCN(C)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTWKHLBYGAPKY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncnc3ccc(OCc4cn(-c5ccccc5[N+](=O)[O-])nn4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQUWAIGJFVMGO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncnc3ccc(OCc4cn(-c5cccc([N+](=O)[O-])c5)nn4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIGGYYSZBWCGC-UHFFFAOYSA-N", "SMILES:NCCC(O)c1cccc(OCC2CCCCC2)c1"], "chembl_natural_product": true}
{"name": "Retinoid isomerohydrolase", "xref": ["CHEMBL.TARGET:CHEMBL4523306"], "id": "UniProtKB:Q28175", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKTXKSDQFFNSOB-UHFFFAOYSA-N", "SMILES:NCCC(O)c1cccc(OCC(CCCF)CCCF)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMAIQFBFQHDLHJ-GOSISDBHSA-N", "SMILES:CC1=C(COc2cccc([C@H](O)CCN)c2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNQUCOVJRJRGJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJUHMIFNPLSSY-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccnc3[nH]c(-c4cccc5c4ccn5C)nc23)cc1CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNPKPMWGNMHYDF-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cc(-c2ccnc3[nH]c(-c4cccc5c4ccn5C)nc23)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWNDSJWDMDEHE-QGZVFWFLSA-N", "SMILES:Cc1nn(-c2ccnc3[nH]c(-c4cccc5c4ccn5C)nc23)cc1CN1CC[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWNDSJWDMDEHE-KRWDZBQOSA-N", "SMILES:Cc1nn(-c2ccnc3[nH]c(-c4cccc5c4ccn5C)nc23)cc1CN1CC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWQKVNZOBKJSDZ-AZUAARDMSA-N", "SMILES:CN(c1cnn(-c2ccnc3[nH]c(-c4cccc5c4ccn5C)nc23)c1)[C@@H]1CCOC[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDTXKARIOKJSV-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cnn(-c2ccnc3[nH]c(-c4cccc5c4ccn5C)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXZJNQSPLXUEQL-ZWKOTPCHSA-N", "SMILES:Cn1ccc2c(-c3nc4c(-n5cc(N[C@@H]6CCOC[C@@H]6N)cn5)ccnc4[nH]3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGVVEFIZOALIK-INIZCTEOSA-N", "SMILES:Cn1ccc2c(-c3nc4c(-n5cc(CN6CC[C@H](O)C6)cn5)ccnc4[nH]3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGVVEFIZOALIK-MRXNPFEDSA-N", "SMILES:Cn1ccc2c(-c3nc4c(-n5cc(CN6CC[C@@H](O)C6)cn5)ccnc4[nH]3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXDILXWZVVTOB-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc3c(c2)c(-c2nc4c(-n5cc(CN(C)C)c(C)n5)ccnc4[nH]2)cn3C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURHKYZDRUHHNX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)c(-c1nc3c(-n4cc(CN(C)C)c(C)n4)ccnc3[nH]1)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOLYKAXIFQPDE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(-c3nc4c(-n5cc(CN(C)C)cn5)ccnc4[nH]3)cn(C)c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXIPKAUVEYGJGF-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cnn(-c2ccnc3[nH]c(-c4cn(C)c5ccc(C(=O)N(C)C)cc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTVGCRDGTQYHRM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)c(-c1nc3c(-n4cc(CN(C)C)cn4)ccnc3[nH]1)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLWBCTCIYQEZKL-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cnn(-c2ccnc3[nH]c(-c4cn(C)c5ccc(S(C)(=O)=O)cc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFKTTQYZUXGPN-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(-c3nc4c(OCC5CCNCC5)c(Cl)cnc4[nH]3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPFLLHAZSDDEX-UHFFFAOYSA-N", "SMILES:Clc1cnc2[nH]c(-c3ccccc3)nc2c1OCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNNNBSQQVGIBKM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3c(NCC4CCNCC4)c(Cl)cnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOLOXSFXBYKHAV-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ncn3ccc(Nc4nccc(-c5cc(CN(C)C)n(C)n5)n4)cc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRRQGMZVLUYMNG-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cc(Cl)ccc2-n2c(C3CCN(c4ccccn4)CC3)nnc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFNLASCIWOJWBT-UHFFFAOYSA-N", "SMILES:CC1(C)Nc2cc(Cl)ccc2-n2c(C3CCN(c4ccccn4)CC3)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZHWDGUIIBLMSE-UHFFFAOYSA-N", "SMILES:COc1nc2cc(Cl)ccc2n2c(C3CCN(c4ccccn4)CC3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLYUGSLFCFIWKI-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)nc1[nH]nc(C3CCN(c4ccccn4)CC3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHFQNYFSMHRFHY-NRFANRHFSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)N3CCCC3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZKIUKJODDKMA-UHFFFAOYSA-N", "SMILES:O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQRCKNBRGDXJSE-HPZZRFSDSA-N", "SMILES:Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3[C@@H]3C[C@H]43)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQRCKNBRGDXJSE-BHTAHFLVSA-N", "SMILES:Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3C3CC43)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUQHZLZJDCYLT-AIGVJILOSA-N", "SMILES:COC(=O)C12CC1c1cc(Cl)ccc1-n1c2nnc1[C@H]1CC[C@H](Oc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSXSAGFBHFCRCN-GUYOCYMRSA-N", "SMILES:Clc1ccc2c(c1)C1CC1c1nnc([C@H]3CC[C@@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVELHSVKGJFPBX-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)C1CC1c1nnc(C3CCN(c4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEESSQLTYXCSHX-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQRCKNBRGDXJSE-GKLJAUDBSA-N", "SMILES:Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3[C@H]3C[C@@H]43)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGKQLPQCUUZNKB-RZOPAKRVSA-N", "SMILES:COC(=O)CC1Cc2cc(Cl)ccc2-n2c1nnc2[C@H]1CC[C@H](Oc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBLXIMEXXLTMW-HDJSIYSDSA-N", "SMILES:Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CC4)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWAFJPWGEIHPIE-CZIWCDLHSA-N", "SMILES:Clc1ccc2c(c1)CCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCCFFEIBQPCVBO-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLUORDRJVKGBBI-UHFFFAOYSA-N", "SMILES:Brc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEUQQAXRDAODEX-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCC(c3nnc4n3-c3ccccc3CCC4)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNHHOQBRISXJY-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUULAPMDYQRHDT-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITUFBBOETKZLGP-SHTZXODSSA-N", "SMILES:Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CCC4)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPNVUOYNFOUGKU-SHTZXODSSA-N", "SMILES:Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Br)cc3CCC4)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIKFJIZJMYELPB-JCNLHEQBSA-N", "SMILES:Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJLLCAORNNZCL-RZDIXWSQSA-N", "SMILES:Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLSVRFJWKUBBPF-RZDIXWSQSA-N", "SMILES:Brc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUXQOEQYTXKHJH-IYARVYRRSA-N", "SMILES:c1ccc(O[C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKUFTPUPTLIREG-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(c2nnc3n2-c2ccc(Cl)cc2CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFOCQLWBZFAID-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCC(c3nnc4n3-c3ccc(Cl)cc3CC4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWBQCPZBRPKYKE-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(N)c(C(=O)c3ccc(OC)c(OC)c3)s2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4778603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMDUGLDNKLUCG-BLBWXKFCSA-N", "SMILES:CC1(C)[C@H]2CC[C@]1(C)C(NC(=O)Nc1ccccc1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHSAHFGWDMVFIZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMDUGLDNKLUCG-IBYCOCQXSA-N", "SMILES:CC1(C)[C@@H]2CC[C@@]1(C)C(NC(=O)Nc1ccccc1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMDUGLDNKLUCG-UHFFFAOYSA-N", "SMILES:CC1(C)C2CCC1(C)C(NC(=O)Nc1ccccc1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGBVQNVWDGCSG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)NC1CC2CCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXALXYKYAZVVKB-RONZFKJDSA-N", "SMILES:CC12CCC(NC(=O)N[C@H]3CC[C@H](Oc4ccc(C(=O)O)cc4)CC3)(OC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZWXELHABEQJI-AKAQRDPESA-N", "SMILES:O=C(NC1CC2C=CC1C2)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXCLHWSMSDMSDM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNC(=O)NC1CC2CCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLCDMHBCAFLJP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CC2CCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNASECLHDFQFH-UHFFFAOYSA-N", "SMILES:CC1(C)C2CCC1(C)C(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQYREQRUWVDIW-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNC(=O)NC1CC2CCC1(C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZCCLZZLNCPAJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCNC(=O)NC1CC2CCC1(C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFESHZIFJIDGGL-UHFFFAOYSA-N", "SMILES:O=C(NCC12CC3CC(CC(C3)C1)C2)NC1CC2C=CC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQCRRLGRMNQFBP-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2C=CC1C2)NC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVJNQNYFACSQZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)NCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGCDKVMZMYQIB-UHFFFAOYSA-N", "SMILES:O=C(NCCCCNC(=O)NC1CC2C=CC1C2)NC1CC2C=CC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYMOSCHXRLSFE-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCCCCNC(=O)NC1CC2C=CC1C2)NC1CC2C=CC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQOLUPOEGRIYLI-UHFFFAOYSA-N", "SMILES:O=C(NCCCCNC(=O)NC1CC2CCC1C2)NC1CC2CCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVJCWAGWQLBFDK-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCCNC(=O)NC1CC2CCC1C2)NC1CC2CCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDHRORPFMASAW-UHFFFAOYSA-N", "SMILES:CC1(C)C2CCC1(C)C(NC(=O)NCCCCNC(=O)NC1CC3CCC1(C)C3(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENJHTQCKKPDBR-UHFFFAOYSA-N", "SMILES:CC1(C)C2CCC1(C)C(NC(=O)NCCCCCCCCNC(=O)NC1CC3CCC1(C)C3(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGAVDVZHIBFAQP-UHFFFAOYSA-N", "SMILES:O=C(NCCCCNC(=O)NCc1ccco1)NCc1ccco1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1528958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPJOVJDIAOIDZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNC(=O)NCc1ccco1)NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRLPUJMGAKEDRP-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCCNC(=O)NCc1ccco1)NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVFKCZZXOGEMN-CZIWCDLHSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGCLQAHNIMAOIP-HEHNFIMWSA-N", "SMILES:COc1ccc(CN2CC/C(=C\\c3c(-c4ccccc4)n(C)c4ncccc34)C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDXXXVYLDXRZOP-RCCKNPSSSA-N", "SMILES:Cc1nc(C)c(CN2CC/C(=C\\c3c(-c4ccccc4)n(C)c4ncccc34)C2=O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKIEBFIMCSCBB-CALJPSDSSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFYFRQCUVUMLE-KQWNVCNZSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)/C(F)=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAYUCWGMZYXLV-MDZDMXLPSA-N", "SMILES:Cn1c(-c2ccccc2)c(/C=C/C(=O)N2CCc3cc(O)c(O)cc3C2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIMZICTUVOWADJ-VAWYXSNFSA-N", "SMILES:COCCOc1cc2c(cc1OCCOC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTGMWBGYWIDAY-BUHFOSPRSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXRYMHOLLYRHEC-MDZDMXLPSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)nc3ncccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDMINVGZYVUFV-MDZDMXLPSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3cnccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHFEHPBVHZFHX-VOTSOKGWSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)/C=C/c1cn(C)c3ncccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQAVNAQRAKBMS-CMDGGOBGSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(C3CC3)n(C)c3ncccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUFMUGAUSQTRB-TVXVBNPNSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1c(-c2ccccc2)n(C)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUFMUGAUSQTRB-POICXBNUSA-N", "SMILES:COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1c(-c2ccccc2)n(C)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWRCXTYOQHJLE-NSFRLNINSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1c(-c2ccccc2)n(C)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJFAASQWGFKKMU-WOOPDLCSSA-N", "SMILES:COC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)/C=C/c1c(-c2ccccc2)n(C)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZWAOPTKJQCTA-MDZDMXLPSA-N", "SMILES:Cn1c(-c2ccccc2)c(/C=C/C(=O)N2CCN(c3ccncc3)CC2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNGHFSZMBIXBD-RELWKKBWSA-N", "SMILES:COc1ccc(CN2CCC/C(=C\\c3c(-c4ccccc4)n(C)c4ncccc34)C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQBDWDNNJPGNOZ-HMFJFYRTSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@](C)(O)CCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"name": "Creatine kinase M-type", "xref": ["CHEMBL.TARGET:CHEMBL2656"], "id": "UniProtKB:P06732", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491655", "category": ["biolink:ChemicalEntity"], "name": "PANAXADIOL", "xref": ["InChIKey:PVLHOJXLNBFHDX-XHJPDDKBSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKYVIIIEJKSVBR-XNWPAUOFSA-N", "SMILES:CC(C)(O)CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C"], "chembl_natural_product": true}
{"name": "Creatine kinase M-type", "xref": ["CHEMBL.TARGET:CHEMBL1075201"], "id": "UniProtKB:P00563", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSAXKBIVUGNWAI-NOZRDPDXSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc3nn(C)cc3c2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWTPSSSOMLHHKD-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc(-c3cccnc3)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJNLAQJFBHIMQO-VPUSJEBWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc3nc(C)ccc3c2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXRYMCWFRFGGI-YADHBBJMSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2cccnc2OC)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODGPDTHYRQCSNH-GGAORHGYSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc(F)cc2F)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSAPXBCUKYHAFP-PKTZIBPZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQDFPCKXYVWSX-GGAORHGYSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccccc2F)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCFDVKOJXXCTFO-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1[nH]c(-c2ccc(F)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUYYMOKNXBOLX-PKTZIBPZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc(F)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVDGYMKUBVIGV-SFHVURJKSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)c1ccon1)c1[nH]c(-c2ccc(F)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDCDYPZZIBFOG-SFHVURJKSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1[nH]c(-c2ccc(F)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRULCKOENDKQCY-IBGZPJMESA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)CN(C)C)c1[nH]c(-c2ccc(F)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSIZHDZZSZOAZ-QFIPXVFZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1[nH]c(-c2ccc(F)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQGKDRSESGQPHS-FQEVSTJZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1[nH]c(-c2ccc(F)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEADHPNYEASZRQ-PKTZIBPZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJWMIHNHHGFQV-YADHBBJMSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNZNVKKXXYZTJE-FQEVSTJZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CCOCC1)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXMVYSCRIRLZNR-IBGZPJMESA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGWNKDSIJSHVCT-IBGZPJMESA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1[nH]c(-c2ccccc2)nc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWUHRAHHBCTRRW-UHFFFAOYSA-N", "SMILES:CCC(=O)CCCCCC(NC(=O)c1cncs1)c1[nH]c(-c2ccccc2)nc1C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLHIZHDQYPUMEN-UHFFFAOYSA-N", "SMILES:CCC(=O)CCCCCC(NC(=O)c1cncs1)c1[nH]c(-c2ccccc2)nc1C(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHILOQIJOWDKF-UHFFFAOYSA-N", "SMILES:CCC(=O)CCCCCC(NC(=O)c1cncs1)c1[nH]c(-c2ccccc2)nc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPINOTMBVJNBFU-UHFFFAOYSA-N", "SMILES:CCC(=O)CCCCCC(NC(=O)c1cncs1)c1[nH]c(-c2ccccc2)nc1C(=O)NCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJSRVMMOVKPAO-RSXGOPAZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2cc3ccccc3nc2OC)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFDAPLRSMFECOI-UHFFFAOYSA-N", "SMILES:CCn1cc(CNCc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGVUWBKWBAZBPK-SVQMELKDSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBXIOUVYDBSJNN-CTLOQAHHSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGZBUPNCYZBICZ-XYXHBKGXSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)cc(F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKPIERXJUNKAR-CQHAJPFMSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)ccc4F)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNJDDGRVHZDFZ-UHFKCPIBSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGVUWBKWBAZBPK-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)CC2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEZABFIGBDYTFL-MDYZWHIJSA-N", "SMILES:Cc1cc(C)cc(N2C=Nc3cc(Cl)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@H](C)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVVUWJHLRPZTG-SVQMELKDSA-N", "SMILES:CC[C@H](N)CN(C)C(=O)C1c2cc(-c3cccc(O)c3)c(Cl)cc2N=CN1c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVLDHFJALBNBMX-XYXHBKGXSA-N", "SMILES:CC[C@H](N)CN(C)C(=O)C1c2cc(-c3cccc(O)c3)c(C)cc2N=CN1c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CARSHPZKKGDLHB-QASNXKAYSA-N", "SMILES:Cc1cc(C)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBUVEICNNWOGMB-XYXHBKGXSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPEQBLAEMRZPQW-XYXHBKGXSA-N", "SMILES:Cc1cc(F)cc(N2C=Nc3cc(C)c(-c4cccc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPMLDCFXQVPFM-UHFKCPIBSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccccc4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRRMXNPWBHZEJ-CTLOQAHHSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHOJSYILJYTJA-UHFKCPIBSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cncc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGCWGYWXJCZLKO-UHFKCPIBSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C(F)(F)F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTISWKDMSLDNQU-UHFKCPIBSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(Cl)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPSOVVXKKKGDGZ-GVNKFJBHSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cnn(C)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCIQXIMDCFHIHZ-UHFKCPIBSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJIWYFQANDMMLG-QASNXKAYSA-N", "SMILES:COc1cc(F)cc(-c2cc3c(cc2C)N=CN(c2cc(C)cc(Cl)c2)C3C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMJIVOZQFAVHQD-UHFKCPIBSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSLKSHPQQRJYDC-CTLOQAHHSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(NS(C)(=O)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUANHWLUIKNNTR-QDLLFRBVSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4ccc5[nH]c(=O)[nH]c5c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXEOXXTUJXYHIV-LWAJAQLZSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cncc(O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHRNKVFHTFIUFD-QDLLFRBVSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)ccc4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNICGXTJVITDR-QASNXKAYSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUUFCWHLTYUBK-QDLLFRBVSA-N", "SMILES:Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(C(N)=O)ccc4F)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSVGJYUJZNKRL-IBGZPJMESA-N", "SMILES:Cc1nc(-c2ccccc2Cl)sc1COc1cccc([C@@H](CC(=O)O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVWVUYATFZPAW-KNXNPYQDSA-N", "SMILES:CC(Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CC[C@]2(CC1)NC(=N)N(Cc1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCRQPJWEPVZEBE-OAHLLOKOSA-N", "SMILES:O=C(O)C[C@@H](Cc1ccccc1)C(=O)N(c1nc(-c2cc(Cl)ccc2Cl)cs1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFOSPYXKGYALT-AYOQOUSVSA-N", "SMILES:CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYEPBSCIHLVZSQ-RHSMWYFYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)C[C@@H]2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJXUQHRYXPXNRH-FHLIZLRMSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C[C@H](NC(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)C[C@@H]2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPSFOREHMRNGC-AYOQOUSVSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C[C@H](NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C[C@@H]2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMANKYKLYJZUGZ-BMJUOYTHSA-N", "SMILES:COc1ccc([S+]([O-])N2C[C@H](NC(=O)C(C)(C)C)C[C@@H]2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHMIRSYHUCEHG-UHOFOFEASA-N", "SMILES:CCCC[C@H](N)C(=O)N[C@@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPSZVAEKRRJET-BXUZGUMPSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C[C@H](NC(=O)CCCN)C[C@@H]2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHNLDUXLRLXAA-BYCMXARLSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C[C@H](NC(=O)[C@@H](N)CCCN)C[C@@H]2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKZZADQXWILCG-UHOFOFEASA-N", "SMILES:COc1ccc(S(=O)(=O)N2C[C@H](NC(=O)[C@@H](N)CCCCN)C[C@@H]2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRNDBEYBKGOTNX-LLVKDONJSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJAYPBDBLXVYJQ-TYLISRTCSA-N", "SMILES:Cn1c(=O)ccn([C@@H]2S[C@H]([C@@H](O)[C@@H](NC(=O)[C@@H](N)CO)C(=O)O)[C@H](O)[C@H]2O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYZYCNQZDBZBQ-SJORKVTESA-N", "SMILES:CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL400247", "category": ["biolink:ChemicalEntity"], "name": "STIGMASTEROL", "xref": ["InChIKey:HCXVJBMSMIARIN-PHZDYDNGSA-N", "SMILES:CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4788459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJZLPBEAYRYOX-BRSBTECXSA-N", "SMILES:CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VACHUYIREGFMSP-UHFFFAOYSA-N", "SMILES:CCCCCCCCC(O)C(O)CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4764198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGBRZVULENRWIQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1csc(N(CC)C(=O)c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBMAHJTTGNJTO-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1csc(N(CC)C(=O)c2ccc(I)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359965", "category": ["biolink:ChemicalEntity"], "name": "ALLICIN", "xref": ["InChIKey:JDLKFOPOAOFWQN-UHFFFAOYSA-N", "SMILES:C=CCS[S+]([O-])CC=C"], "synonym": ["Allicin", "Allicin", "Diallyl thiosulfinate"], "chembl_natural_product": true}
{"name": "Mitochondrial 2-oxodicarboxylate carrier", "xref": ["CHEMBL.TARGET:CHEMBL4680040"], "id": "UniProtKB:Q9BQT8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL830", "category": ["biolink:ChemicalEntity"], "name": "EFLORNITHINE", "xref": ["InChIKey:VLCYCQAOQCDTCN-UHFFFAOYSA-N", "SMILES:NCCCC(N)(C(=O)O)C(F)F"], "synonym": ["Eflornithine", "Eflornithine", "Eflornithine", "Eflornitina", "Eflornithine", "Eflornithine"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL376507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJOBNGRIBLNUKN-BMHXQBNDSA-N", "SMILES:COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4757867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQYWAKTXSGQJH-CCARFGRDSA-N", "SMILES:CC(=O)O[C@H](c1ccc2c(c1)OCO2)[C@H]1COC(=O)[C@@H]1[C@H](O)c1ccc2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4758852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBQPFFIKKYKQJ-SVCSISOJSA-N", "SMILES:CC(=O)O[C@H](c1ccc2c(c1)OCO2)[C@H]1COC(=O)[C@@H]1[C@H](OC(C)=O)c1ccc2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4786670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQSAMHJRAGQLY-MAWUVJEMSA-N", "SMILES:CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@H]1COC(O)[C@@H]1[C@@H](OC(C)=O)c1ccc2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4746230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRHEOIBWUNZMZ-GGRWDMAWSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(-c4csc(/C=C(\\C)CCC=C(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNBGWYTZJPLCJE-GPZCPBGDSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(-c4csc(CC(C)CCC=C(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQECLPIEZQRWSB-PQZPXAOVSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(-c4csc(CC(C)CCCC(C)(C)O)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUSZTFCBXVTAMV-VWLOTQADSA-N", "SMILES:CCCCCCc1nc(-c2c(O)c(C)c(O)c3c2OC2=CC(O)=C(C(C)=O)C(=O)[C@@]23C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUNBCJGPBSTNQE-HHIVAPKQSA-N", "SMILES:C=C(C)[C@H]1CC=C(/C=N\\Nc2nc(-c3c(O)c(C)c(O)c4c3OC3=CC(O)=C(C(C)=O)C(=O)[C@@]34C)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSJBNHOHZMQXQG-SCPNOBMWSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C\\C5=C[C@@H]6C[C@H](C5)C6(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZFSURKXULAOOX-WBHWENKQSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(-c4csc(NN=C5C=C(C)[C@H]6C[C@@H]5C6(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZQBHQHMFJQSHX-ICOCLAAVSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C5/C[C@H]6CC[C@]5(C)C6(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162752", "category": ["biolink:ChemicalEntity"], "name": "DDO-3055", "xref": ["InChIKey:AIKDJELJHUPYNG-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(Cl)cc2)cc1O"], "synonym": ["Ddo-3055"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMMHBWSIJAMQM-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOCCc2ccc(Cl)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPEGGVWMZVSXMO-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOCc2ccc(Cl)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZYXUZJPLFAJSF-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(Cl)c(Cl)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJUIXNVVYGRBTI-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(Cl)cc2Cl)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGJTHWJRLWWOS-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2cccc3ccccc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKSCDDRDKBQPHE-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(-c3ccccc3)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBMSDZVWYQTCV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDOOZZDDDTVZTE-UHFFFAOYSA-N", "SMILES:CCc1ccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLONTSSTQPRHF-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKDRXHUSBTKME-UHFFFAOYSA-N", "SMILES:COc1cccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVACCUJOCAJFJC-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCC#Cc1cnc(C(=O)NCC(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFOVXFSCNLCJRX-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(C(F)(F)F)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMGHGPANFHRONS-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2cccc(C(F)(F)F)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZJZZDNUVDOSR-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2ccccc2C(F)(F)F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADVDAUQADIWIKN-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPIKHYNCFSTHJN-UHFFFAOYSA-N", "SMILES:Cc1cccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJTRPZKFLNCFRV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC#Cc1cnc(C(=O)NCC(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPKMGYUTVSVHI-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2cccc(Cl)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQGSJJHZASSON-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2ccccc2Cl)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLINBZMNJDYZFD-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(F)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLPTYCLJWIMFNR-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2cccc(F)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGAHYYKYMSPYCY-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2ccccc2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBFGNDIKUZOHHD-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCN(c2ccccc2)c2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMLMAZYUTBIGMZ-UHFFFAOYSA-N", "SMILES:CN(CC#Cc1cnc(C(=O)NCC(=O)O)c(O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDCXHGZMOAJPP-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCNc2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDIZJAXODSICN-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CCOc2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTBJOGCYBDUGS-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#Cc2ccc(-c3ccccc3)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPWZNHNTAXMDQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#Cc2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEYLHGBTQFPILZ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C#CC2CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNXRLSWGEMTDTN-UHFFFAOYSA-N", "SMILES:CC(C)(C)C#Cc1cnc(C(=O)NCC(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQARSQCZYMDXJC-UHFFFAOYSA-N", "SMILES:C#Cc1cnc(C(=O)NCC(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJGOVIIZJVRPMY-MJQYSKINSA-N", "SMILES:CC(C)(O)CC[C@H]1OC2(CCCCC2)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC6(CCCCC6)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJUWAQCESOGIN-XIBFKHAZSA-N", "SMILES:CC(C)(O)CC[C@@H](OC(=O)c1ccccc1)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](OC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1209491", "category": ["biolink:ChemicalEntity"], "name": "DAPHNORIN", "xref": ["InChIKey:WYIIRKFHBPIFQZ-FGBFUVBKSA-N", "SMILES:COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3960736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKOLBFDKJXCKJK-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCc2ccccc2Cl)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONZAMBWLADUDER-SFHVURJKSA-N", "SMILES:COc1cc(NC(=O)[C@@H](N)CCc2ccccc2)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYLYUYINPOJLP-QGZVFWFLSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4111518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQHAUPTVCAFIJM-GFCCVEGCSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUFTCDTPYSKCS-GFCCVEGCSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4111655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEPHKODFYBTYDV-CQSZACIVSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUKPYAYVXNDTIK-MRXNPFEDSA-N", "SMILES:COc1cc(C(=O)N[C@H](CO)c2c(F)cccc2F)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXKSMSBOLIXMK-LLVKDONJSA-N", "SMILES:COc1cc(C(=O)N[C@H](C)c2c(F)cccc2F)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBUCEYWKPHIQNJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCUCJAJWXMJKLB-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOMBBRLBZANHQY-QGZVFWFLSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOSQCHDKQMEASF-QGZVFWFLSA-N", "SMILES:COc1cc(NC(=O)[C@H](O)c2ccccc2Cl)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCIIPWGEJOAVRZ-CYBMUJFWSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4109840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAMBLNKLSSPUQI-GFCCVEGCSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHTJASDMENLSNM-IBGZPJMESA-N", "SMILES:COc1cc(C(=O)N[C@@H](c2ccccc2F)C(C)(C)O)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQDDDWVLLDDHOF-QGZVFWFLSA-N", "SMILES:COc1cc(C(=O)N[C@H](CN)c2ccccc2)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPZTIFVUUEGSN-CYBMUJFWSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWFMHXAWIQAEE-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONZAMBWLADUDER-GOSISDBHSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CCc2ccccc2)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGOAUGHDPHDYBB-QGZVFWFLSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)c2ccccc2Cl)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4111347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMDNEOTFNNPST-CQSZACIVSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRNKGINCBWKQIS-CYBMUJFWSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUCBZNHHQKCEMY-CQSZACIVSA-N", "SMILES:CCc1cc(C(=O)N[C@H](C)c2cccc(OC)c2)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXWOMMUYWIPPCD-QGZVFWFLSA-N", "SMILES:COc1cc(C(=O)N[C@H](CO)c2ccccc2)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGWETKOANDIKB-GFCCVEGCSA-N", "SMILES:COc1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQLUERDZUGOSA-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFINOLWYBYMFPQ-QXMHVHEDSA-N", "SMILES:CN(C)CCN1C(=O)c2ccccc2/C=C\\c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFPYUXAAOVPIJ-SEYXRHQNSA-N", "SMILES:CN(C)CCCN1C(=O)c2ccccc2/C=C\\c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRBXXARYECIAQB-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2ccccc2N(C)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCSMQRGFXNYQC-KHPPLWFESA-N", "SMILES:O=C1c2ccccc2/C=C\\c2ccccc2N1CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZVXITWIIKNCX-QXMHVHEDSA-N", "SMILES:CN1CCN(CCCN2C(=O)c3ccccc3/C=C\\c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTCYIPDQTUQALX-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPCKUNFTKRCJC-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGGDKYEQSCVTG-CYBMUJFWSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cncnc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKMNKIPZENZTEM-CYBMUJFWSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)c(=O)[nH]c2cnccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSLHUWAGNRMJH-CYBMUJFWSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)[nH]c(=O)c2cnccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCYBFUIFHJFSO-CQSZACIVSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVCWYWUPQHFFI-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C)NC(=O)c2ccc3c(c2)OCc2cnccc2-3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3578250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRUQNLSZFAFOD-CQSZACIVSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBFPPNKJVBJKX-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)c1ccc2c(c1)OCc1cnccc1-2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKMVWPMDNIKAY-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJJIOPOZCPBMR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc2c(c1)OCc1cnccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBOFPWRUNWZIOF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc2c(c1)OCc1cnccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXOKVWAHQLXGW-LJQANCHMSA-N", "SMILES:N[C@@H](C(=O)Nc1ccc2c(c1)OCc1cnccc1-2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNAFKLYSCSXHPD-LJQANCHMSA-N", "SMILES:N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCc1cnccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJRGKGBUVZYAP-QGZVFWFLSA-N", "SMILES:N[C@@H](COc1ccc2c(c1)OCc1cnccc1-2)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPHQLKTGFSXCX-CYBMUJFWSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cnc(N)cc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBLKPUSLVWLBU-GICMACPYSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)OC(C)c2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXZHTMEICBSBN-GICMACPYSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)C(C)Oc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3578252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUQZDIZIVRTIGP-JGHKVMFLSA-N", "SMILES:CCC1Oc2cnccc2-c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMUQMJFWSHDHRX-GZAIGYLVSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)C(C2CC2)Oc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQVTFFVWVLMAA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)COc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKJXZODWOQJHCQ-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)COc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBKFQGAJZUOGMZ-UHFFFAOYSA-N", "SMILES:CN1CC(NC(=O)c2cccc(CNC(=O)c3ccc4c(c3)COc3cnccc3-4)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBVQGQTGHIORB-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(C)Oc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPMIJOFRYUMESR-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(CNC(=O)c2ccc3c(c2)C(CC)Oc2cnccc2-3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWVIELIZINHJJY-BVHINDKJSA-N", "SMILES:CCN1CCC[C@H]1CNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(C)Oc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1605605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDDVXIUIXWAGJ-LJDSMOQUSA-N", "SMILES:C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKTYVXXYUJVJM-FBHGDYMESA-N", "SMILES:Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBLBKTUFAZAQNI-FQEVSTJZSA-N", "SMILES:Cc1cc(Cl)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBRZYYXSVJPMSH-NRFANRHFSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCYANWZYAYLIN-QFIPXVFZSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cc(C)cc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHVMRKLTAIPBML-NRFANRHFSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4ccc(O)cc4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBRVGCBMQIZFJD-QHCPKHFHSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C#N)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIECZQRHAPMGJO-QHCPKHFHSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(CO)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBSOPNLLOCCGU-QHCPKHFHSA-N", "SMILES:CNC(=O)c1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVZFDHHSAKXMFS-QFIPXVFZSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C(N)=O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXCQCMUIFXWBY-QFIPXVFZSA-N", "SMILES:COc1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZYLGUDBJJYEDL-QFIPXVFZSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQQUVJBGNIMKLK-QFIPXVFZSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4ccccc4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHSBLYPWZIMLY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2COCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNQSJVZAKLMEC-SFHVURJKSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@H](C)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFTZQJQBUWLNBG-FQEVSTJZSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHQFXBLQLMCGNO-NRFANRHFSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSXRMBAFYCRPH-QFIPXVFZSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSXRMBAFYCRPH-JOCHJYFZSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@H]2CCCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSXRMBAFYCRPH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2CCCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCTDTIWEDRKMJK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2(N)CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBUKMAQMPVPOA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C(C)CN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVIFVLVJLJPJEZ-UHFFFAOYSA-N", "SMILES:CCN(CCNC)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWCCSHGUZLTTA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFCIMIUNPKQTFW-UHFFFAOYSA-N", "SMILES:CCN(CCN)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNUDUXWEITSMR-IBGZPJMESA-N", "SMILES:Cc1cc(C)c(F)c(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OODSGFQICUQBDQ-FQEVSTJZSA-N", "SMILES:CN(Cc1c(-c2cc(Cl)cc(CO)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFFJUZFKOBANW-IBGZPJMESA-N", "SMILES:CN(Cc1c(-c2cc(Cl)cc(Cl)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCWFBQKMPYYLEL-FQEVSTJZSA-N", "SMILES:Cc1cc(Cl)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVHXJQTEADJDB-FQEVSTJZSA-N", "SMILES:Cc1cc(F)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYVXIXCBBNCTDY-IBGZPJMESA-N", "SMILES:CN(Cc1c(-c2cc(F)cc(Cl)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIRAZJNLGWZIIK-IBGZPJMESA-N", "SMILES:CN(Cc1c(-c2cc(F)cc(F)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12)C[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYLVFNMPNZJXSO-NRFANRHFSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ncn(-c4cc(O)cc(C(F)(F)F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQOBEYUIZUVPL-NFWSPEMXSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)Oc2ccc(F)cc2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJLHFMLSWSVNI-GNXUOLQESA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)OCc2ccccc2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSJPCIORPQFQX-NFWSPEMXSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)Oc2ccccc2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVCCQDADMNHJY-GNXUOLQESA-N", "SMILES:COc1ccc(OC(=O)CC(=O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCRRLZMNVLWNPO-NFWSPEMXSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)Oc2ccc(Cl)cc2Cl)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQJQTBJARRSSK-RGQASFKMSA-N", "SMILES:COc1cc(OC)cc(OC(=O)CC(=O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCSSDRWOXNQNGD-SBLKVOGESA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSMGXLXKODSADF-YZGNSWEDSA-N", "SMILES:COC(=O)CC(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CILYIEBUXJIHCO-UITFWXMXSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4753907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMUDXSTWPJFVCN-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(C(=O)O)cc4)nc(N(C)C)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOXUEBSSMXLBTF-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)cc(-c2ccc(C(=O)O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXFRAMHEQVKGIH-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(C(=O)N3CCC4(CC3)CC(=O)c3c(c(C(=O)O)nn3C(C)C)C4)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGQDWBQCYMEKS-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3ccc4[nH]nc(C(=O)O)c4c3)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIYPGBZVFSBDIM-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cccc(-c4ccc(C(=O)O)cc4)c3)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLXGPILKXVFKA-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cccc(-c4cccc(C(=O)O)c4)c3)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIAQCQHMUMHZHV-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3ccnc(-c4ccc(C(=O)O)cc4)c3)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFLUNUSHNNCWKD-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)cc(-c2ccc(C(=O)O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFSSQAJGMMWBY-WXPPGMDDSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"name": "Tyrosine-protein kinase ZAP-70", "xref": ["CHEMBL.TARGET:CHEMBL2034801"], "id": "UniProtKB:P43404", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLRJYSFMIAITSV-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCCCN2C(=O)c3cccc4cccc(c34)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXUVVCWMGIKNT-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCCCCCCN2C(=O)c3cccc4cccc(c34)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBJXVRAUDLCCKR-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCCN2C(=O)c3cccc4cccc(c34)C2=O)Cc2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJJXTCJVKOCPOK-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCCCCCN2C(=O)c3ccccc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278020", "category": ["biolink:ChemicalEntity"], "name": "NEOSTIGMINE", "xref": ["InChIKey:ALWKGYPQUAPLQC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1"], "synonym": ["Neostigmine", "Neostigmine", "Miostin", "Neostigmine", "Neostigmine (cation)", "Neostigmine cation", "Neostigmine hydroxide", "Neostigmine ion"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4793446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKOYJADHQBHGNU-PCZBZXESSA-N", "SMILES:CC(NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC1=O)=C1C(=O)CC(C)(C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUHJXHCVECGTKR-DQNUUZSMSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNAMJVFMQXNFA-IIWMTREJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVBWWDSOUTRPI-PMHDAHMPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBJJOLMPJNDNBS-PYQCGGFZSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLELLWHGRXNYRT-GKMNVSAWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONBLDFRXWTCMK-ZLJJRRBVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUVINZJWYAOGR-WZACFIHESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOBJZYASKVIGEI-SWSXKRTPSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQPUHWNJYREPPG-UHFBRTMNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHKCCCWMZMTICI-SUIQSAATSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYCCCBAUAYIIV-SZZADWLNSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZOSLMRWDYAWTJ-KMHMEVCASA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVRBMKRJMEDCP-FLYJDYBWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUAGKMFGXAZQIL-SJRQMVEQSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVYABXCWUANCS-XZHCAVLASA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMVJUSAWBSZSK-UVSVGJPISA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBIVOWKJFMFTOD-HNVHVGORSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWGCPEYJUHZAEI-WHUCXDJCSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJPKEXINOUKTD-YRDKVTCSSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZKFFLGKTRICFA-RVWFEAGWSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIRXLDEJYXBEX-UEAPISFRSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HILKFRINKSBFFB-RNCWAJBISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVALOUUORVXHDI-WZACFIHESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCNCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEOMCNKEDQWNZ-IXDJVLLSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYHEEUUWGJSAD-VXAXCUOQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCUJHUYEVVTSA-HWNUNKAMSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CSCC(=O)NCCCCCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHIQLFWIXNHLH-PZXQYZSTSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFAUXNRRPBZAA-NOWUSWLQSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)NCCCCCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKCIDIYMFLGED-XFIDKAQESA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXCTFYSQUFPOQ-JPKIITESSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSCC(=O)NCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQACKCNDXFSJOE-DFMMHBQMSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOMLHXHRUNEATO-HKMCSLCLSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRKQLSWBODLMRE-RJOXTEFSSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCLOFJJRIJNPFA-JHLYLVGNSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZRQNPLYSZMDJY-BGFRVLSBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VROYFKUCFMVREZ-CNYWZPGFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSSPHMPEGPDSLL-RJOXTEFSSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJHUDGNQBQVJPG-BKJRJADZSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZVIWOTEADWGH-VQULWNMGSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXZRBTSTLSNRSG-PQXXGZKJSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDSDEDTZYIXOS-UTJPRPKNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAMWDHHKXCDZBW-QAAFLOMZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRYLKFYUQFBTO-ZRFXXKAJSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSSGOJUVQKUCI-SHRGVRTRSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKZAMJVQHIOJQ-QNBIHUHRSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHUQVCMYWSKSR-FYEVNGNQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJJPXRSQEGVMDC-JXQORBLLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHXSUPZFNWOTAH-VISAXMKWSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFPRHCHBUNEHGF-IJIXNSHZSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLHOUCHCSRRNGD-PZXQYZSTSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYONYZZKJCMEI-IPXGOEMQSA-N", "SMILES:CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZGWHMGPCXFAIX-MKMVJXNCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRMVWCMITUAMCV-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUGVHZBVPDCAO-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQPBWIOELMTRIZ-UHFFFAOYSA-N", "SMILES:O=c1cc(CCCc2cccc(C(F)(F)F)c2)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOBZBDFNMFKIKJ-UHFFFAOYSA-N", "SMILES:O=c1cc(CCCc2cccc(Cl)c2)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQTKXGIEOYITSL-UHFFFAOYSA-N", "SMILES:O=c1cc(CCCc2cccc(F)c2)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSFSFPNMOMKBI-UHFFFAOYSA-N", "SMILES:COc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOWNCYJAZBDEI-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUWUTCKAVTEOR-UHFFFAOYSA-N", "SMILES:O=c1cc(CCCc2ccc(C(F)(F)F)cc2)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSAKJGUACCWUTB-UHFFFAOYSA-N", "SMILES:O=c1cc(CCCc2ccc(Cl)cc2)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOAHOVWCKIYLBB-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLHYYCQHNBTQC-UHFFFAOYSA-N", "SMILES:O=c1cc(CCc2ccccc2)oc2cccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKLLKONXJTGBV-UHFFFAOYSA-N", "SMILES:O=c1cc(CCCc2ccc(F)cc2)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GELUXQRHKDEPJD-UHFFFAOYSA-N", "SMILES:O=c1cc(CCCc2ccccc2)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEBYNYDQJPHFB-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc4ccccc4c3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPAUFYIEGIDGEA-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc4ccccc4n3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQRUTGDDDYJOJ-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2nc(-c3ccco3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVRGLAAQOGZME-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2nc(-c3cccs3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWEUXLRWSIATAB-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYRMMMMKCHAQM-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1nc(-c2ccco2)no1)C(=O)COc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTARIMCWTVQGRU-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1nc(-c2ccco2)no1)C(=O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVVYGPPFUOYPT-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1nc(-c2cccs2)no1)C(=O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLYXWCSCAZCHTI-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2cccc(-c3cccnc3)c2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVALOWBPRYIVIF-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2cccc(-c3cncnc3)c2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPNPQHLVNDVMZ-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2cccc(-c3ccco3)c2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QINGHGNZDCNZAH-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2cccc(-c3cccs3)c2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKUZKQCFBRZXTK-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2ccc(-c3cccnc3)cc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFVIGPIAMAWTEA-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2ccc(-c3cccs3)cc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVOQORCNWWJDPR-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1ccc(-c2cccnc2)cc1)C(=O)COc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPDXPDRLKFNUBC-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1cccc(-c2cccnc2)c1)C(=O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKRVSFHOYRESA-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1cccc(-c2ccco2)c1)C(=O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYODTAJIMALLQB-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1cccc(-c2ccco2)c1)C(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYZZXIDDFVGJJB-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1cccc(-c2cccs2)c1)C(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCRIPENJFRIZAL-LTRQNCEHSA-N", "SMILES:CCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVQCTWHNLDAKIJ-WDWRTLIPSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIKCRQFWYKOQG-CGAGTDCHSA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGESEVVNWGLOMP-KUMCOXFNSA-N", "SMILES:CCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGXDOCWAMQSSJD-CJAGVSOLSA-N", "SMILES:CCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNUFYQITINJLPN-ZTPODBFVSA-N", "SMILES:CCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZHGDJPNMBTLJA-JATCGGIVSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFKQQRMJICZKZ-YRSRKIOTSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRRDGRBFRAIHA-HRAINWGBSA-N", "SMILES:CCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRITYTXPFBPNR-JZLKEKCXSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZTMILXVDFQVBK-XCMRIGOXSA-N", "SMILES:CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUDKLOQRAPRGJV-ZSBQYRKRSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZHYQOHOIZJCU-AOTOVXJYSA-N", "SMILES:CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPAXXWDNMUZINK-DUZNCTGISA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSHDNAAOTDFCNE-CGAGTDCHSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)N(C)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYMLELKVNTQLS-ABEXAVTLSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)N(C)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYIHVPCLRNABA-MUZFVGERSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)N(C)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWYNNXITSWEIIQ-GYFSBXTESA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)N(C)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGGVFSGARFNMIC-GLOQPDLBSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)N(C)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISNDZBXPDWMSCK-HRAINWGBSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)N(C)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQTHMRJPWUIRTN-XCMRIGOXSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)N(C)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIVYBOTAMLOPZ-ZSBQYRKRSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21)N(C)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACINUDEPGDOCE-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(-c4cnn(C)c4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDGWINKLUZIEU-NSHDSACASA-N", "SMILES:CC(=O)Nc1cc2nc(-c3cc4c(c(C(F)(F)F)c3)C(=O)N([C@@H](C)C3CC3)C4)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYAPSTHKVSVUQB-LBPRGKRZSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(-c5cnn(C)c5)c4n3)cc(C(F)(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNCRCDLWUGCPSJ-LBPRGKRZSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc(C)c3c(c2)CN([C@@H](C)C2CC2)C3=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGRYSELYJLRQCW-ZDUSSCGKSA-N", "SMILES:CC(=O)Nc1nc2cc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBRQJCOMQXDQQV-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)nc3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRNYRIATHOBCA-ZDUSSCGKSA-N", "SMILES:CC(=O)Nc1nc2cc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNBUJELVNKASMK-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2ccc3nc(N)nn3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLZFGIFJFBBTJD-ZDUSSCGKSA-N", "SMILES:CC(=O)Nc1nc2ccc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXPFZIAXUXSSNV-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2ccc3nc(N)cn3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYGPEBVLJGUSE-ZDUSSCGKSA-N", "SMILES:CC(=O)Nc1cn2nc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWDHIBNDWRLHPL-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2ccc3nc(N)c(-c4cnn(C)c4)n3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLLWDVCXHJGGIT-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2ccc3ncc(-c4cnn(C)c4)n3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQECCUJQUDIVEP-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)cc3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDUFWBNXVBBSSA-ZDUSSCGKSA-N", "SMILES:CC(=O)Nc1cc2nc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMBUORMVFSLTCE-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1nn2ccc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)nc2c1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICAXSMPZWOGABB-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2ccn3ncc(-c4cnn(C)c4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQPEQUJYSALIP-AWEZNQCLSA-N", "SMILES:CCC(=O)Nc1cn2nc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFMOESUBIIQQY-AWEZNQCLSA-N", "SMILES:COCC(=O)Nc1cn2nc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOGYNUMVQFNOQ-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2ccc3nc(NC(=O)C(C)C)cn3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFVLTXDWQPOCLQ-KRWDZBQOSA-N", "SMILES:Cc1cc(-c2ccc3nc(NC(=O)c4ccccc4)cn3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVOIHWKNZQREEB-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2ccc3nc(NS(C)(=O)=O)cn3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMKMHSNRONFZMG-YWZLYKJASA-N", "SMILES:Cc1cc(-c2ccc3nc(NC(=O)N4CCC[C@H]4C(N)=O)cn3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTPXGMRSFGXFCT-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(-c4cnn(CCO)c4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPFYQQLJCOBCAL-ZDUSSCGKSA-N", "SMILES:Cc1ncc(-c2c(N)nn3ccc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)nc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBVZOZDXDLAAC-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(-c4ccn[nH]4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOBADCHUJUBIR-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(-c4nc[nH]n4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTXCCDMWLOUTG-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(-c4ccccn4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPKHSLPHCPLSQM-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(-c4ccncn4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRCETALOQGAMM-INIZCTEOSA-N", "SMILES:Cc1cc(-c2c(N)nn3ccc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)nc23)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKLZNHMQTKAYEP-INIZCTEOSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(-c4ccc(CC(=O)O)cc4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJWMPQORGHVGK-LBPRGKRZSA-N", "SMILES:CC(=O)Nc1cc2nc(-c3cc4c(c(NS(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUVXHAYEWAWVGY-LBPRGKRZSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2ccn3nc(NC(C)=O)cc3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USPUQVAHEMNGFE-LBPRGKRZSA-N", "SMILES:Cc1c(-c2c(N)nn3ccc(-c4cc5c(c(C(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)nc23)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKFZLSFFHPRNL-ZDUSSCGKSA-N", "SMILES:Cc1nn(C)cc1-c1c(N)nn2ccc(-c3cc4c(c(C(F)(F)F)c3)C(=O)N([C@@H](C)C3CC3)C4)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWLPXHNNUXMBRO-LBPRGKRZSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(-c5ncccn5)c4n3)cc(C(F)(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYIWJCONSHUYIA-HNNXBMFYSA-N", "SMILES:CC(C)c1cc(-c2c(N)nn3ccc(-c4cc5c(c(C(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)nc23)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCSLWRCKYDLOT-INIZCTEOSA-N", "SMILES:CC(C)c1cc(-c2cnn3ccc(-c4cc5c(c(C(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)nc23)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGIPZKJXVNHJFG-UHFFFAOYSA-N", "SMILES:CCCCCCC(=O)NCc1c(O)c(=O)cc(C)n1C"]}
{"name": "Anthranilate--CoA ligase", "xref": ["CHEMBL.TARGET:CHEMBL4295626"], "id": "UniProtKB:Q9I4X3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNPXPCPRGBKIL-AHWWRMAYSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(OCc3ccccc3)cc(OCC3CC3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"name": "Telomeric repeat-binding factor 2", "xref": ["CHEMBL.TARGET:CHEMBL4296012"], "id": "UniProtKB:Q15554", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZQADVIAFNWNQ-COCCXFIDSA-N", "SMILES:COc1cccc(C(=O)N[C@H]2COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSCXIPKCCVXFV-MOLHNXBOSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCCCC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGQNNIEPROLML-KCAPAQDDSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(OCCN)cc(OCc3ccccc3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJRQZTZJFDMMW-LLEYENFUSA-N", "SMILES:CC(C)CCOc1cc(OCc2ccccc2)cc(C(=O)N[C@H]2COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCUIRQKQPJUNEG-KIWNAKGSSA-N", "SMILES:COc1cc(OCc2ccccc2)cc(C(=O)N[C@H]2COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOKRWRFYLSBGNQ-YNUAGZMFSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOXEAGWBHRROA-YBVOJSTASA-N", "SMILES:CC(C)COc1cccc(C(=O)N[C@H]2COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLFLUUBUMGLIW-AXRSMUBWSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVGXWOXQECFEAD-KIWNAKGSSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(OCC(=O)O)cc(OCc3ccccc3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYSZVJKZCCRDBU-RFPILPCVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(OCc3ccccc3)cc(OC3CCCC3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJSIGEOGMFWXDR-WULLJDQYSA-N", "SMILES:CC(C)COc1cc(OCc2ccccc2)cc(C(=O)N[C@H]2COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGLLXAGJGXXAHJ-AHWWRMAYSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(OCc3ccc4ccccc4c3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIISNMQUFQDCMB-YNUAGZMFSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(OCC3CCCCC3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMKTLGGYUFJRM-WWMNZPEASA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(OCC3CC3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAJBMVMKBONNDM-QALZTRBASA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(OC(C)C)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPKJYUIJQBOMDV-SXYSDOLCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](N)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REQUSFSWJPEQCO-DRNMUVCRSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(OCc3ccccc3)cc(OCC3CCCC3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKFEUIHMPAIHP-AHWWRMAYSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(OCc3ccccc3)cc(OC3CCC3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHSKJEINKSYCFA-FETRQNOVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(OCc3ccccc3)cc(OC(C)C)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIBHGQFQXCDGBK-JCXBGQGISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(OCCCc3ccccc3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTIVRUZLUXJOI-PKAIDYEGSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(OC3CCCC3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMMWZVRTXVATL-QOOAZBNCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](N)Cc2ccccc2)CCCCCCC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDXZBMCJWXXBI-YFNVTMOMSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](N)CCCCCCC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWHEUIXGHBCAK-RFPILPCVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(OCc3ccccc3)cc(OCC3CCC3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZQMVLPJGEBIY-HKPLXUDRSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVANEZYQJGPQD-KCAPAQDDSA-N", "SMILES:CCOc1cc(OCc2ccccc2)cc(C(=O)N[C@H]2COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXCZAXNNYUKOOA-HCJIVJCNSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(OCCc3ccccc3)c2)COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXEMHQPSNRMTQG-LJEIBCANSA-N", "SMILES:CC(C)CCOc1cccc(C(=O)N[C@H]2COCCCCOC[C@@H](C(=O)N(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWTKIGGLLXUFSV-UHFFFAOYSA-N", "SMILES:O=C(CSc1ccc2ccccc2n1)NNC(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBXMPTHIUAKXED-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKYUSDWIWNJKAN-UHFFFAOYSA-N", "SMILES:O=C(CSc1ccc2cc(F)ccc2n1)NNC(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYVOSROGSXTRY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKOGFYCCHOYII-KRWDZBQOSA-N", "SMILES:CC(C)(C)CC(=O)N[C@@H](CS(=O)(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGPQNXBUXVLCOW-SFHVURJKSA-N", "SMILES:N#CC1(NC(=O)[C@H](CS(=O)(=O)N2CCN(c3ccccn3)CC2)NC(=O)Cc2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJBBTDKTHEAGD-SFHVURJKSA-N", "SMILES:N#CC1(NC(=O)[C@H](CS(=O)(=O)N2CCN(c3ccccn3)CC2)Nc2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBQYSIFCRNPJJQ-FQEVSTJZSA-N", "SMILES:N#CC1(NC(=O)[C@@H](Cc2ccccc2)CS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLQRUOLMVHSTQ-UHFFFAOYSA-N", "SMILES:CNC(=O)CCS(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPXDVXMMYRTKN-VYDXJSESSA-N", "SMILES:N#CC1(NC(=O)[C@H](CS(=O)(=O)C[C@H]2CCC(=O)N2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKQKVVYMRWBLX-UHFFFAOYSA-N", "SMILES:N#CC1(NC(=O)CCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRLNXLKNWDZCJK-SFHVURJKSA-N", "SMILES:Cc1cc(CC(=O)N[C@@H](CS(=O)(=O)N2CCN(c3ccccn3)CC2)C(=O)NC2(C#N)CC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTQQLVJPORCMAK-NMNXYZJCSA-N", "SMILES:C=C1[C@H]2[C@@H](/C(=C/C)C(=O)[C@H]2OC(=O)C(C)CC)[C@H](C(C)C)C[C@H]1OC(=O)/C=C(\\C)CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL589821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBFDWUGEQRCTOQ-ZDCRXTMVSA-N", "SMILES:CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O"]}
{"name": "Sodium- and chloride-dependent neutral and basic amino acid transporter B(0+)", "xref": ["CHEMBL.TARGET:CHEMBL4680044"], "id": "UniProtKB:Q9UN76", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDDIKYQAIVPLF-ZDCRXTMVSA-N", "SMILES:CC(C)[C@H](N)C(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGWQLGMMSPCRG-QRTUWBSPSA-N", "SMILES:CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OC(=O)[C@@H](N)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAOSSJBJWZXJGN-RBXMUDONSA-N", "SMILES:N[C@@H](CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQJHITBONYXOOI-RBXMUDONSA-N", "SMILES:N[C@@H](CC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQCLYJQBXRFIIJ-LADJIXMOSA-N", "SMILES:N[C@@H](CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OC(=O)C[C@H](N)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRLMAOSSCBBTBA-AXTSPUMRSA-N", "SMILES:N[C@@H](CCC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYBAGZRQQIZSBW-AXTSPUMRSA-N", "SMILES:N[C@@H](CCC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBQUZHEXAFWCC-JZRPKSSGSA-N", "SMILES:N[C@@H](CCC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OC(=O)CC[C@H](N)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPEDGKGPAPIVNH-JVETVIRESA-N", "SMILES:CCN(CC)CCc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(OC)cc2)n1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REUUNOXAPWLXIZ-YBQPEQHKSA-N", "SMILES:COc1ccc(/C=C(\\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCN3CCCCC3)n2Cc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRKNMNYIQWEIJB-AUJIMEPESA-N", "SMILES:COc1ccc(/C=C(\\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3c[nH]c4ccccc34)n2Cc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYTSWLBRBXHFHG-YBQPEQHKSA-N", "SMILES:COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STJDKFKTIDOTDD-TYHBVVQBSA-N", "SMILES:COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDCIMUQXREERB-QNVYJMACSA-N", "SMILES:COc1ccc(/C=C(\\C#N)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWALTCZHOQNQR-LYJBFAKLSA-N", "SMILES:COc1ccc(/C=C(\\C#N)C(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGKICVFGBMAMHX-VIKBILNGSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIPSEHBEIXRYRO-TYHBVVQBSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXDVPPHNXDTJM-TYHBVVQBSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPKSSOROFTLKB-WQMHXSCVSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAJBEHUTREYIS-FOJUAHGCSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOPOOMYCKALLJW-LGGZIKKESA-N", "SMILES:COc1ccc(/C=C(\\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGNNWPMPZZXGBE-WQMHXSCVSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XICHPSAXUDZUGP-BHCMCYHMSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRTYHQRWBHEEEC-GXPOVIRGSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFQNOOUXGCTEKD-QGPARTDRSA-N", "SMILES:COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRRIZWTAPLQRE-QZCRLSDHSA-N", "SMILES:COc1ccc(C[C@@H](N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQZPIPRGLQWIBA-PGUFJCEWSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CCc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBWDJOVGBLJGIX-UUWRZZSWSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)Cc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFRVQKIYMYVQE-PGUFJCEWSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSWVYJBJOFOQX-BNVHBBAMSA-N", "SMILES:COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCUZHXDUCZKOQ-LGGZIKKESA-N", "SMILES:COc1ccc(/C=C(\\C#N)C(=O)OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWEWAYBVKOOEGG-YBQPEQHKSA-N", "SMILES:COc1ccc(/C=C(\\C#N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVWCJRUCZLQBE-VADYDYPKSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBUHKEMVTLXWIC-MGBGTMOVSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)c2ccc(C#N)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIKKAGWEJEVJE-MGBGTMOVSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZQZKSBCXYVGMD-JGCGQSQUSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2(C#N)CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQNKCRHOPLCSPT-GDLZYMKVSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CC#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRKMVMOHGRAEQC-GDLZYMKVSA-N", "SMILES:C=CC(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCAWFOIAVIBHBF-MUUNZHRXSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVVMUNBJQOCMG-MUUNZHRXSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHHFKHASMVGLP-GDLZYMKVSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZGFUQTYCJMUTG-MUUNZHRXSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVJZPUBHQRYSO-JGCGQSQUSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN2CCC(N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEYOSYDBJPUGS-UUWRZZSWSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSCGAZXZBQEAP-MUUNZHRXSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDKLHCPLKMARGL-WJOKGBTCSA-N", "SMILES:CCN(CC)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFHPEVYFCGFER-GDLZYMKVSA-N", "SMILES:CCNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPQRXDPGPBIALG-PGUFJCEWSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C#Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTEKTNCRZJGQQN-GDLZYMKVSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSBBTVDPBEHSY-MUUNZHRXSA-N", "SMILES:CNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPIIIDPOBWZRIG-HAHBWNJQSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C=C/c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHPFCDFXIDXFQK-LCFKAPMVSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(C#N)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZPINRJJFJMFSQ-SSEXGKCCSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(C)(C)C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL400814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZSZELOMMMKWTM-HHHXNRCGSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1"]}
{"name": "Growth hormone secretagogue receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL3278"], "id": "UniProtKB:O08725", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXWRIDGYFFSIIY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRPYDYUBDGOHLI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFYQCOMGMFYPLZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQLAYHBUUKJKQO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCCOc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVGOPVMDNYVNOI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYASYGQIQFXRDM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPVINTHTFSBGKQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMXPYWSQVDUSBX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCCOc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFGGNSQPFXQRL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOAVLBDWCVGCKZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCCNCC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQYGUPGPQFXAD-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCCNCC1(F)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLLXKLMQMYRBID-UHFFFAOYSA-N", "SMILES:COc1cccc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHWLXSUOSUTBMY-UHFFFAOYSA-N", "SMILES:COc1cccc(OCCNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMCBOIGGLBGEL-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCGYVRDXSGMVJW-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAAXKNFGOFTGLP-UHFFFAOYSA-N", "SMILES:Cc1cnc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL56", "category": ["biolink:ChemicalEntity"], "name": "8-OH-DPAT", "xref": ["InChIKey:ASXGJMSKWNBENU-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C1CCc2cccc(O)c2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQWJWAFVWGWKC-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1OCCNCC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OODAUUFBIANTSD-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKXSCSYAOOOLAP-UHFFFAOYSA-N", "SMILES:CNc1ccccc1OCCNCC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHEGDBVVFIATGX-UHFFFAOYSA-N", "SMILES:CNc1cccc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMTUAIYAQNJXDJ-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNHCYBQECNBQLO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWSDAHSOCIBPK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(OCCNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGPDBMBAXJTZAM-UHFFFAOYSA-N", "SMILES:Cc1cccc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEHLDKQUOMXTR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQUKVOGAZWDTMK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cccc3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIINLBKMJGQYNO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCCOc2cccc3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTNCCYYNUGHTQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cccc3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRNBVPHYHLXDV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCCOc2cccc3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXPJDTCYZQOTIA-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cccc(OCCNCC3(F)CCN(C(=O)c4ccc(F)c(Cl)c4)CC3)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOWBAFDEMIDBCY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cccc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKCZHVJFTWAZHM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cccc3c2CCN3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHQAGSOPRWRIQH-OCEACIFDSA-N", "SMILES:Cc1ccccc1-c1ccc(/N=N/c2ccc(CC3SC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHQAGSOPRWRIQH-QPLCGJKRSA-N", "SMILES:Cc1ccccc1-c1ccc(/N=N\\c2ccc(CC3SC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFWSOEMDHXPDQV-VXPUYCOJSA-N", "SMILES:O=C1NC(=O)C(Cc2ccc(/N=N\\c3ccc(Cl)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLGCPLWJDMTRY-FCQUAONHSA-N", "SMILES:O=C1NC(=O)C(Cc2ccc(/N=N\\c3ccc(C(F)(F)F)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHLQGNGQCQOJO-SLFBTFMYSA-N", "SMILES:O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(/N=N/c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPUOMPSSHWYLDN-VHEBQXMUSA-N", "SMILES:O=C1NC(=O)C(Cc2ccc(/N=N/c3ccccc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQQZPQMAFYASR-SADOOTFCSA-N", "SMILES:O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(/N=N/c2ccc(Cl)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFWSOEMDHXPDQV-FMQUCBEESA-N", "SMILES:O=C1NC(=O)C(Cc2ccc(/N=N/c3ccc(Cl)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLGCPLWJDMTRY-GHVJWSGMSA-N", "SMILES:O=C1NC(=O)C(Cc2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHLQGNGQCQOJO-XTUDTMOTSA-N", "SMILES:O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(/N=N\\c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQQZPQMAFYASR-WAPUXUJFSA-N", "SMILES:O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(/N=N\\c2ccc(Cl)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPUOMPSSHWYLDN-HNENSFHCSA-N", "SMILES:O=C1NC(=O)C(Cc2ccc(/N=N\\c3ccccc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXCUHIDRXZOEO-SOFGYWHQSA-N", "SMILES:CS(=O)(=O)SCCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHRNGFCIUEOAX-VQHVLOKHSA-N", "SMILES:CS(=O)(=O)SCCCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJAXWQDRHLFICZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)SCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHIDAHOTTVOIDA-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGDEXFLIBKJPB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)SCCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSHBVXNYDDAKJJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)SCCCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWWHWKKEHOWRAY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)SCCCCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBZLDFPFQJBJT-CSKARUKUSA-N", "SMILES:CS(=O)(=O)SCCCCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRCHPWWLKWSZMY-VQHVLOKHSA-N", "SMILES:CS(=O)(=O)SCCCCCCNC(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSAROOCJXPTPB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)SCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJMNDAJRBCCXIK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)SCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDXTWJHPHKTIJU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)SCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBDRAVGKQUGIV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)SCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKRDUHYAGDEIY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)SCCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3311439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNXVNZRYYHFMEY-UHFFFAOYSA-N", "SMILES:O=C1C=C(Cl)C(=O)C=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILXCSHOKVHNCKM-ZXWWJUNRSA-N", "SMILES:CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](OC(=O)/C=C/C(=O)N(C)C)C=CC(=O)[C@]35C)[C@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLPXOWZTDPJPHC-ISIACCJKSA-N", "SMILES:CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL392916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQWCGJGUHJSLR-UHFFFAOYSA-N", "SMILES:CCC(=C(c1ccc(OCCN2CCCC2)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4744721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBMHBEBBOYSDHS-UCXQCCCXSA-N", "SMILES:CCC[C@]1(O)C[C@H](O)[C@@H](C)[C@H]([C@H](C)[C@@H]2C/C=C/C=C/[C@H](O)C(=O)/C(C)=C/C=C/C(C)=C/[C@@H](O)/C(C)=C/CC(=O)O2)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4764617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPRCIIKRRQYBDU-UFSQQZNRSA-N", "SMILES:C/C=C\\[C@@H](O)CC[C@@H](C)[C@@H](O)[C@H](C)[C@]1(C)C/C=C/C=C/[C@H](O)C(=O)/C(C)=C/C=C/C(C)=C/[C@@H](O)/C(C)=C/CC(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1231358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZAXPYOBKSJSEX-GOSISDBHSA-N", "SMILES:Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccccc3)C1=N2"], "chembl_natural_product": true}
{"name": "Myosin-2", "xref": ["CHEMBL.TARGET:CHEMBL4680041"], "id": "UniProtKB:Q9TV63", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Myosin-2", "xref": ["CHEMBL.TARGET:CHEMBL4680039"], "id": "UniProtKB:Q9BE41", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUXNLHXGQGFOS-GOSISDBHSA-N", "SMILES:Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc([N+](=O)[O-])cc3)C1=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXRKMHKOOUBXBJ-MHWRWJLKSA-N", "SMILES:CCCC/N=C(\\C)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFLTPHWVWRMRM-RIYZIHGNSA-N", "SMILES:CC/N=C(\\C)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLTUKQUFBNNSHZ-OQLLNIDSSA-N", "SMILES:CCC/N=C(\\C)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKCZMEMECKEKAV-MHWRWJLKSA-N", "SMILES:C/C(=N\\CC(C)C)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABLRUWAXOWUJKO-GZTJUZNOSA-N", "SMILES:CCCCC/N=C(\\C)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDGWWWXGUMPEQP-LDADJPATSA-N", "SMILES:CCCCCC/N=C(\\C)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGMQMKACABQDU-RIYZIHGNSA-N", "SMILES:C/C(=N\\CCO)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBFKOPJFPILGV-OQLLNIDSSA-N", "SMILES:C/C(=N\\CCCO)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLBBDEFOYCZVDK-XDHOZWIPSA-N", "SMILES:C/C(=N\\Cc1ccccc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHEUHYFWCYTRNZ-DEDYPNTBSA-N", "SMILES:C/C(=N\\Cc1cccc(C)c1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPVQMYJGYZNEL-DEDYPNTBSA-N", "SMILES:C/C(=N\\Cc1ccc(C)cc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKYVZMEMSKVKE-WOJGMQOQSA-N", "SMILES:C/C(=N\\Nc1ccccc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AESOMALWJQQLJY-YBFXNURJSA-N", "SMILES:C/C(=N\\Cc1ccccn1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWWPNCRXSWGMAE-YBFXNURJSA-N", "SMILES:C/C(=N\\Cc1cccnc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMYXEVWODSLAX-IXUBDLNJSA-N", "SMILES:N=C1N[C@H](O)C2C3OC4(O)O[C@@H]([C@@H](O)C2(N1)[C@@H]4O)[C@]3(O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSXLFTWTIDIJIC-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2cnccc2n1-c1ccc(C2CC2)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDNIBCXZXFIFY-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJMZWDXPVFOLG-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3977345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZDHUHMXXALFX-SFHVURJKSA-N", "SMILES:CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O"]}
{"name": "Solute carrier family 2, facilitated glucose transporter member 9", "xref": ["CHEMBL.TARGET:CHEMBL2052034"], "id": "UniProtKB:Q9NRM0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCGWSTZPKYWPL-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXHKCGQVYMCQN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)sc1nc(-c3ccc(NC(=O)Nc4cc(C)on4)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJXCIAYHXLKDAY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)sc1nc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)no4)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIAVKRBWLQSKCR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)sc1nc(-c3ccc(NC(=O)Nc4cc(C)no4)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYKDQZLVIGXIK-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXNCGWNIDNFAO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYONLFFBJHRGA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIRCOXWGYNQKOD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2ccc(CC(=O)Nc3ccc(-c4cn5c(n4)sc4cc(OCCN6CCOCC6)ccc45)cc3)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZHRHMWJVJEVLO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccc(-c4cn5c(n4)sc4cc(OCCN6CCOCC6)ccc45)cc3)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSYXKMBFQPDBN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)sc2nc(-c4ccc(OCCN5CCOCC5)cc4)cn23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABHMVNHVHBTBV-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2ccc3c(c2)sc2nc(-c4ccc(OCCN5CCOCC5)cc4)cn23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZGCJNAPGVXKIZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)sc2nc(-c4ccc(OCCN5CCOCC5)cc4)cn23)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPNFCSDRCVMSY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2ccc3c(c2)sc2nc(-c4ccc(OCCN5CCOCC5)cc4)cn23)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSHGDSZKHIYPSD-CVFQZFGQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGMMSJLNUHBJZ-ZKWURJJSSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVFRELBLSZIXKF-MMAGAWAJSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMALYOXPBRJBG-CGUXNFSNSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAHJMKFQCZHSW-QAPZYRSVSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NC2CCCCCCC2)C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYQGOVJZTKVTRH-FFDSMLOTSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQCBGKSEURQPY-PIOLXUNYSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYFQIOADNBQTIO-SACOPXEASA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHBYNUBFXSJGA-QIHIHDHLSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(N)=O)C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLFDYODJKVVLFU-HGUPQZESSA-N", "SMILES:C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMBNMBVBDQPDI-HYCPZOMXSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(N)=O)C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJMNUJBYYOAUSZ-GOEGEEEPSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTGYBEFFZRTSDU-LKFCIMGDSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(N)=O)C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLWPDKTPQNOLB-WGEVGIIOSA-N", "SMILES:C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFTOWZNMKUCBSM-ANMODGGMSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYPRCYBPBYMQU-NHHISXMTSA-N", "SMILES:C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWLXHDIYLQTCDK-UGILRUISSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKZDZRPOKVDRTF-UFCAUPGHSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGOPFYDWPFYPHV-QXWSHJOGSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCKKZYJRSSGRF-WFKBQLLMSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJKRUVHJIMSSR-WFKBQLLMSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXCGFTALUXEHMH-GBAJAIRZSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNCFNARVHNKGHR-WFKBQLLMSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLOEWWSXDDERF-IWXSPDJMSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFLBBXRHBEKOZ-GFVABUGYSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUQUHXVJQOLBEL-PAPOMEPOSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWAVBAHMWPUGQA-IWXSPDJMSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMALYOXPBRJBG-WXHCCQJTSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMALYOXPBRJBG-QPXLROIWSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMALYOXPBRJBG-XDHURCCUSA-N", "SMILES:C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMALYOXPBRJBG-KAGNOSLDSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMALYOXPBRJBG-QBIPVTRNSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMALYOXPBRJBG-QGENXWBJSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMALYOXPBRJBG-CZZXULBMSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMALYOXPBRJBG-NWDBMMEWSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMALYOXPBRJBG-BFUUKACKSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUPCKGMJQXKGM-CGUXNFSNSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1CCCCC1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCGXVDFSJSVDHE-XTOORFOSSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGPDZLXEBRFGJ-AYCHKMLASA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCKKZYJRSSGRF-FUTXEUEZSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJFGYNRQTITHMZ-QHYQKCGXSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(F)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKMSRDIVOXQKP-YILJZHMHSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJNRSTIHHXSXNI-OMXOXKCLSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWIPSWLGHBGMKS-YOIDAZQRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADHIGWORNNIHO-NOJZKZRQSA-N", "SMILES:C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWAFYZIFQBYEGJ-NOJZKZRQSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEGDIXBMLNZWPT-NOJZKZRQSA-N", "SMILES:C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBLEBPTKPTLGD-USQLSARZSA-N", "SMILES:C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPVVWUHWRDFHBG-USQLSARZSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPIRXALAXPORH-YILJZHMHSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CSC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOFXQUYNZHCZGG-NPQYXELUSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CN[C@@H](C)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMBZIPCESQREMT-UVDGFCMYSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278789", "category": ["biolink:ChemicalEntity"], "name": "DERMORPHIN", "xref": ["InChIKey:FHZPGIUBXYVUOY-VWGYHWLBSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNMDRSESKVMOM-MSDKKNTMSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKVDJONXZSCHP-FVSZKLDUSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZAQKXLVJIVSDP-GVRKOWRLSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTAWDDCNSLHLR-NWOHMYAQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMETUHAMLMUZQF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHIZGYSRNOWOJP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLUZKSKKZVGDP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIVYQUEYSWGAU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C2(C(F)(F)F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHNOHHOVPSUNZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C2CC2(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXHMJKXWZFJHX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYHXUXGACFSKJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTZJBCHDBVCPGU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYJCDTWBVQLTK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXYEGKTDZLBEU-UHFFFAOYSA-N", "SMILES:C#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYUXBCSJYQOPQM-UHFFFAOYSA-N", "SMILES:CC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEYQFZKMMAJQAZ-UHFFFAOYSA-N", "SMILES:CCC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQVZHAXDYLQVSK-UHFFFAOYSA-N", "SMILES:CCCC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCQRMZVWKDOQFN-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCOKUKCAEQNPST-UHFFFAOYSA-N", "SMILES:CC(C)C#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNXCDVEMXHNDX-UHFFFAOYSA-N", "SMILES:CC(C)(C)C#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVHBNZVRUUNKPH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CCCO)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILQDTWZUULZFS-UHFFFAOYSA-N", "SMILES:COCC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMAFQMRMSWRWIM-UHFFFAOYSA-N", "SMILES:CC(C)CC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONOAMLSSZODNO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC4CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKQRKEYAWXZEOA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC4CCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTCLNOGFWLXRFB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC4CCCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQKTYSXDACDBA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC(F)C4CCCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMOPSSPZFPUDCD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC(O)C4CCCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAKHWYXRXADBMY-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUIBQOCVRBTFGW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC(F)C4COC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRBVMNSPISLWHJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC(O)C4COC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLIIPMBEKOVMP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC4CCOC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDBRUQOPGZVNLG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC(F)C4CCOC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMKLRBOMXNZCII-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC(O)C4CCOC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICVUNUDYSWBJLM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC4CCNCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGZYKDIEORGYJV-UHFFFAOYSA-N", "SMILES:N#CC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICYCHRTTDVKMF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC(F)(F)F)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDFGVAKRSVUJAR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC(F)F)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCOHCZDXKMMIF-UHFFFAOYSA-N", "SMILES:CC(F)C#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBQEGAXRGYISD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CCC4CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEWNTOBSWZCKU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CCC4CCCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBZNEOXUXMGKFD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CCN4CCCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNKXKMIABXRUNJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CCC4CCCO4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAZQEGXMJBSNC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CCN4CCOCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGFNHVCWSDXXPH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#Cc4cccs4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADUJCIPBWYSFQX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2cc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)ccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPSHJIHRRIMJL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2cc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)ccc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUVZWDKJHZAZJK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C#Cc2cc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)ccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVZZLVKUXDZRH-UHFFFAOYSA-N", "SMILES:Cc1ncc(C#Cc2cc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)ccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDLTUKJWDWCGM-UHFFFAOYSA-N", "SMILES:Cc1cnc(C#Cc2cc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)ccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWMSOAIQBZVXGT-UHFFFAOYSA-N", "SMILES:Cn1cncc1C#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCAWHPKUCCKDOM-UHFFFAOYSA-N", "SMILES:Cn1cc(C#Cc2cc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)ccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVUXILPOWJJNJH-UHFFFAOYSA-N", "SMILES:CC#Cc1cccc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAQGGGQZIBAGZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#CC4CCCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZIKVHXLVMNROK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISXVMZQMROEAX-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C#Cc1cccc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCVIBVBUZPQZQQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCJJYPBJDKVSI-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUPHUWQEREYNE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#Cc4ccc(C5CC5)s4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYFZFXOVXITMB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#Cc4ccc(C5CCC5)s4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADWCKXIAWARNSR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#Cc4ccc(Cl)s4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNXRHVQQPAPBKD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#Cc4ccc(C(F)F)s4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHHHALBEJUXAAW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#Cc4ccc(C(F)(F)F)s4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGYKHXXNRIQEJX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SROUOEJFTREOCF-UHFFFAOYSA-N", "SMILES:Cc1cnc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSFYKKAJNUZIG-UHFFFAOYSA-N", "SMILES:Cc1cnc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSOKGKOBMWNING-UHFFFAOYSA-N", "SMILES:Cc1ncc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYJZLXZHLOAYGI-UHFFFAOYSA-N", "SMILES:Cc1nc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHHETWNMVDAIU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVFJAHVCXWRANV-UHFFFAOYSA-N", "SMILES:Cc1cc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYATYKNYYAWRX-DHZHZOJOSA-N", "SMILES:Cc1ccc(/C=C/c2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHYFDVJERPCIX-VQHVLOKHSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(/C=C/C4CCCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYILLQOICDHCX-FNORWQNLSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(/C=C/C4CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYXFVSAODMCRBM-NSCUHMNNSA-N", "SMILES:C/C=C/c1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLPRMYLOHXAMC-ZHACJKMWSA-N", "SMILES:CC(C)(C)/C=C/c1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRJSJPOSLMFTNP-UHFFFAOYSA-N", "SMILES:C=C(c1cccc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBDVUGKZZYCEK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2cc(-c3nn(-c4nc(C(=O)O)cs4)c(CCC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)ccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBOHZVFKDXCHAX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CCC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBQIRQNPQLIFT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CCC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGPASSCPKKTBO-UHFFFAOYSA-N", "SMILES:Cc1cc(C#Cc2cc(-c3nn(-c4nc(C(=O)O)cs4)c(CCC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)ccc2F)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNXURRQSPOLYHS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#Cc4ccc(C5CC5)s4)c3)nn(-c3nc(C(=O)O)cs3)c2CCC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYNXSJAPVULPQJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#Cc4ccc(C5CCC5)s4)c3)nn(-c3nc(C(=O)O)cs3)c2CCC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHYQQSWOTBOXFE-UHFFFAOYSA-N", "SMILES:Cc1cnc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CCC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYWBAQOEXYKQU-UHFFFAOYSA-N", "SMILES:Cc1ncc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CCC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIUTWXEDPMFQX-UHFFFAOYSA-N", "SMILES:Cc1nc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CCC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWOYJWWMFLHBKQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CCC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPIOPHJODVNRMH-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(-c2nn(-c3nc(C(=O)O)cs3)c(CCC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNUFUXIRNVXPN-UHFFFAOYSA-N", "SMILES:CC(C)(C#Cc1cccc(-c2nn(-c3nc(C(=O)O)cs3)c(CCC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZGSHWWLWZLYBX-UHFFFAOYSA-N", "SMILES:CC1(CC#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CCC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLRASIOXMYZEJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#CC4CC45CC5)c3)nn(-c3nc(C(=O)O)cs3)c2CCC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGMVSDXONCXIPY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#CC4CC4C4CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CCC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSMZCYTCVEJFP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(C#CC(C4CC4)C4CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CCC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNGKZXCGGGWNH-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(C)c(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVINJDVSOMUDNR-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cc(C)cc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVPSHIPUTPMANL-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)ccc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSFESMWXDLSJC-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cccc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPYVKJCTZZRFI-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cccc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UREOTHLVIDPCFC-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cccc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILDCWBSIAGCHHJ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cccc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGBNHUPLDJSTNP-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWMCFYHWHIIRM-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRDWFWRVWZOFI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2cccc3c2CCN3Cc2ccccc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUJLEBGVPYRBES-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2cccc3c2CCN3Cc2cccc(C#N)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVLMAIUHHIWRLE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2cccc3c2CCN3Cc2cccc([N+](=O)[O-])c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBIDDJZSYVDJZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(CN2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDQLSXBSTCSGSO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2cccc3c2CCN3Cc2cccc(C)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNEXAKJSKKWUON-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccccc2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGCNIKRPCORME-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(C)(=O)=O)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBWSWTVGXWTLCZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)C(F)(F)F)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITOGXBPHWJEAJ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2cccnc2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEFFWUMWYFITE-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2cccs2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWOKWIVBMEMLR-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)C(c2cccc(OC)c2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRPPKNJHEDLDOU-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQGHGDBBXLQAM-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(F)cc2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKNGMBILHNEOGA-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHCHHMLXNNGJR-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(Br)cc2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEKQUPCNJDQVTA-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANOUQOTMAFAEM-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccccc2OC)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITTVTLVPKVYGV-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccccc2C)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNWKPIHZKHGPEM-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2cccc(C)c2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZMNZEANXQICFB-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1S(=O)(=O)NC(=O)C(c1cccc(OC)c1)N1CCc2c1cccc2N(CC(=O)O)S(=O)(=O)c1c(C)cc(C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEJYUAMMNKXOIW-UHFFFAOYSA-N", "SMILES:CCc1ccccc1S(=O)(=O)NC(=O)C(c1cccc(OC)c1)N1CCc2c1cccc2N(CC(=O)O)S(=O)(=O)c1c(C)cc(C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOAROEVACNIAFN-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccccc2F)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSUSVHAPUZPEJ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccccc2Cl)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKDBKAAMMSLOZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccccc2Br)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKFMPHAYJWWQG-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMSDFUZXUNJSFB-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNPPCTXXONORU-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2C)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGVAHMQVKVRKX-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPNYLUMUCOZITC-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(OC)cc2OC)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHPBWDYBNCAMX-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2cc(C)cc(C)c2)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELDGSNBUKXXSK-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2cccc3ccccc23)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUQPWBNUHNHAOU-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)N2CCc3c2cccc3N(CC(=O)NS(=O)(=O)c2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXUNWFPLKXIRF-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NS(=O)(=O)c2ccccc2)c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMHFYSNBABJNX-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)N2CCc3c2cccc3N(CC(=O)NS(=O)(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBWUYRCSVJIHO-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)N2CCc3c2cccc3N(CC(=O)NS(=O)(=O)c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMAUKGKUMCNQN-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)N2CCc3c2cccc3N(CC(=O)NS(=O)(=O)c2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMVLKKFNMHSQH-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)N2CCc3c2cccc3N(CC(=O)NS(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZCFXWJVMWCTJU-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)N2CCc3c2cccc3N(CC(=O)NS(=O)(=O)c2ccccc2)S(=O)(=O)c2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYPXAMUKSYUSP-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)N2CCc3c2cccc3N(CC(=O)NS(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOBZXKWUCZLGPX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NS(=O)(=O)C2CC2)c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITSHWUVULBLPV-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NS(C)(=O)=O)c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGKTVNMPFJOIN-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NS(=O)(=O)C(F)(F)F)c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGMVYQZGNKEWSS-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NS(=O)(=O)c2cccnc2)c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOVRRCZLNJXTD-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NS(=O)(=O)c2cccs2)c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDWZQZKKFDOFM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)CN(c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)S(=O)(=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXPPUCCQVLHDB-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZAAXWVOTLOTBE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NS(=O)(=O)c2ccc(F)cc2)c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXAAHIAKKSSDU-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUEHGCQLJBBRII-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)NC(=O)CN(c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)S(=O)(=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSAYMNKDDHQGU-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NS(=O)(=O)c2ccc(O)cc2)c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXZWHTUIPKIHD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)NC(=O)CN(c2cccc3c2CCN3C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2cccc(OC)c2)S(=O)(=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRDHRUOSFSGQHM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJOFXZVJJGEQCK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(NC(C)=O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQIYQSZCGZPQSX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N(Cc2nn[nH]n2)c2ccc(N(Cc3nn[nH]n3)S(=O)(=O)c3ccc(NC(C)=O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDNGUWKKARNBMG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2cnc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJKKKIWFDQRIO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(F)(F)F)c2cnc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRYIPUMZWGMXRK-XXBNENTESA-N", "SMILES:COc1cc([C@@H](CC(=O)O)c2ccc(C)c(CN3CC[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2c1nnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIISYKYGGSPOY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2ccccc2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJJXYRHSSZOAZ-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCDLMMBANXRTRL-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2ccc3c(N(CC(=O)O)S(=O)(=O)c4c(C)cc(C)cc4C)cccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMKCDBLAAEKRA-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVLAAXHCMQLTA-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCGPKRLXUWECSO-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C(=O)O)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDUJCHJWBKZEPC-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccc2)c2ccccc2)c1O"]}
{"name": "Transcriptional enhancer factor TEF-3", "xref": ["CHEMBL.TARGET:CHEMBL4680035"], "id": "UniProtKB:Q62296", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QATCGJMVFKEMIF-UHFFFAOYSA-N", "SMILES:COc1c(C(Nc2ccccc2)c2ccccc2)oc(CO)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZGUYDLSBIFCQ-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(c2ccccc2)N2Cc3ccccc3C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVDFGYNLUBCSD-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1ccccc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1701986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUEFYIIYHYEQMM-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccn2)c2ccccc2F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCAARLUWJKCTHG-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccn2)c2ccc(Br)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVFLIGZRBVYFT-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NC(c2ccccn2)c2oc(CO)cc(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEKNMJLLQKJPB-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccc2)c2ccccn2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYIUIISWDRHIGG-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccc2)c2ccccc2F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOGXDZLBVKRJB-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccc2)c2ccc3ccccc3c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRXIMYYOHAAQDM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(Nc2ccccc2)c2oc(CO)cc(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSUVXGKNLZCZPD-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2cccc(F)c2)c2ccccn2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFFJVPCUQPWNR-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2nccs2)c2ccc(F)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIVSUKBUYTEOB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(Nc2ccccc2)c2oc(CO)cc(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGOJJJRTJNEXDS-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccc2)c2ccc(F)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXOGGANHBBAOQ-UHFFFAOYSA-N", "SMILES:CC(C)NC(c1ccccc1)c1oc(CO)cc(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRIUOECDNLEFRM-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(NCc2ccccc2)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWVPJPXXYXUXCV-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccc2)c2ccc(Br)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOBJGJFMMOVGY-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(C(Nc2ccccc2)c2oc(CO)cc(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJPTMRUOMYRMM-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NC(c2ccccc2)c2oc(CO)cc(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPGRBXPGODSFW-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2nccs2)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCCQOQXABVTUEK-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2cccc(F)c2)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCZFXAKLXHOOD-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccn2)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTGZLXZDBXVSC-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2ccccc2)c2oc(CO)cc(=O)c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVSMVFNIMPKKBZ-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ncccn2)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKPSGKXPROYGCQ-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2nc3ccccc3[nH]2)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOAKFVGDNJSDDP-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccc2)C2CCCCC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLOWGMPRQQBPHK-UHFFFAOYSA-N", "SMILES:CC(C)C(Nc1ccccc1)c1oc(CO)cc(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVVQTBMUYMKXNG-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(CNc2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEAQLNHTBGEPS-QMMMGPOBSA-N", "SMILES:CSCC[C@H](NCc1oc(CO)cc(=O)c1O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4745654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCYSLHXAAGZNE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCCN(Cc2oc(CO)cc(=O)c2O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNDTWPIXUHQMB-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(CN2CCN(c3ccccn3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLQDUSJYXJYAGO-UHFFFAOYSA-N", "SMILES:COc1c(C(Nc2ccccn2)c2ccccc2F)oc(CO)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUOFEXQNBWFRCD-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccn2)c2cccnc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQTZEYCXMRILF-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccn2)c2ccccn2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXXEUUYCAYESJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIZDXAMTZESDT-UHFFFAOYSA-N", "SMILES:O=c1ccc2cnc3ccc(-c4ccc(N5CCNCC5)nc4)cc3c2n1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAEKKTHXIZGXQO-UHFFFAOYSA-N", "SMILES:O=c1ccc2cnc3ccc(-c4ccc(N5CCOCC5)nc4)cc3c2n1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGFJBNGHQAIURL-UHFFFAOYSA-N", "SMILES:Nc1cnc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIKLZZZBCBNRNG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASGAHGHLFFGPBN-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1"]}
{"name": "Microtubule-associated protein 2", "xref": ["CHEMBL.TARGET:CHEMBL2390810"], "id": "UniProtKB:P11137", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSMHMMFAKKFNHJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQRNPWUZAVBEBC-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIMHKOYVEFQWGW-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVGXTZIPFKMWFJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTUQVSKALSNBBN-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKTFXDOUFDVVMU-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2cnccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGDKZYQFJRDJCK-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ncc(Cl)cc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKEJBGIHSDVOCJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ccc(Cl)c(F)c2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGLBUOGONHLHQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2cc(F)c(Cl)cc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITQLJWXYQCRAD-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2c(F)cc(Cl)cc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBIKXUBYLBYJDZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c(C(N)=O)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUYSVMYQJQKDRU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1c(C(N)=O)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANDVXYDJSSGKLI-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMVWWMVQMOTCQD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1-c1c(C(N)=O)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRXUUHYEJLONT-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c(C(N)=O)[nH]c2cc(F)c(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUHFUPIGPUPON-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1-c1c(C(N)=O)[nH]c2cc(F)c(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOOINHOLRSEVSP-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGIISOCLHIZTP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKBBJHJFMCOBH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APHMNJIGINUUGC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHRBOVAUJOFFCM-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(C(=O)N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHBBYPIYXYXAU-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHIMTRSDQCUUCZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3c(C(N)=O)[nH]c4ccc(Cl)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZWPSZJNJDWIU-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZPWZBBASHQMCS-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(-c2ccn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOVJBOWCKBGZHU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(N2CCNCC2)ccc1-c1c(C(N)=O)[nH]c2cc(F)c(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTSNEYKDGRFDU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(N2CCNCC2)ccc1-c1c(C(N)=O)[nH]c2cc(F)c(F)cc12"]}
{"name": "Methionine aminopeptidase 2", "xref": ["CHEMBL.TARGET:CHEMBL1075272"], "id": "UniProtKB:O08663", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXJZRSRTYPUYRW-NQIIRXRSSA-N", "SMILES:COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)OC)N2C(=O)CCl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1499544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNVKYJSNMVDZJE-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBHJPDPEVVDTB-UHFFFAOYSA-N", "SMILES:Cc1onc(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPIUAKNZYGCHQE-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)CBr)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPLSTCRVOIXXRB-UHFFFAOYSA-N", "SMILES:C#CC(=O)N(c1ccc(OC)c(Cl)c1)C(C(=O)NCCc1ccccc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIJVTFLJRIJQOB-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)C#CC(C)(C)O)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVTWNCLPYQNFLW-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)C#C[Si](C)(C)C)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVDAHDMRKQNIT-UHFFFAOYSA-N", "SMILES:CC[Si](C#CC(=O)N(c1ccc(OC)c(Cl)c1)C(C(=O)NCCc1ccccc1)c1cccs1)(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAMLPWABINBDJC-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)C#C[Si](C)(C)c2ccccc2)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDANZSQTWKKLOV-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGFAIWUEBNWVDP-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGAAJYVNPSYKN-UHFFFAOYSA-N", "SMILES:C[Si](C)(C)C#CC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTGFZAQMAJYIP-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPJVSGWICKDQC-ZHACJKMWSA-N", "SMILES:COC(=O)/C=C/C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMVGRADEFWHFMB-APQPDGGLSA-N", "SMILES:C/C=C(\\C#N)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRNCERJDJHCSW-MDZDMXLPSA-N", "SMILES:O=C(/C=C/[N+](=O)[O-])N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1578061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXTUMFRDQUSBHQ-UHFFFAOYSA-N", "SMILES:CCCCCCCN(C(=O)CCl)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1469676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPZDSQLEDTJRI-UHFFFAOYSA-N", "SMILES:C=CCOc1ccccc1CN(C(=O)CCl)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWBHHCPFZKGPPJ-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCNKDQOZMJFEQN-UHFFFAOYSA-N", "SMILES:CCCCCCCN(C(=O)c1noc(C)c1[N+](=O)[O-])c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJVDYJLGTXOXMW-MEFGMAGPSA-N", "SMILES:COc1ccc(N(C(=O)C/C(=N/O)[N+](=O)[O-])C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGMXAZHCLVFULX-UHFFFAOYSA-N", "SMILES:Cc1onc(C(=O)N(C)C)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKAWFTZOAVFMM-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1noc(C)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCVWINQMYJFMGU-GWKDSOCRSA-N", "SMILES:C/C(=C\\CCP(=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc1ccccc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSPCSEYMHKSWNW-OZRVKTBRSA-N", "SMILES:C/C(=C\\CCP(=O)(N[C@@H](C)C(=O)OCc1ccccc1)Oc1ccccc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNXVFMFYNGNIB-BRUKFHTCSA-N", "SMILES:C/C(=C\\CC(F)(F)P(=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc1ccccc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUMLAWKATWWMJP-UUUALGSWSA-N", "SMILES:C/C(=C\\CC(F)(F)P(=O)(N[C@@H](C)C(=O)OCc1ccccc1)Oc1ccccc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZKNRBNLOBURN-JVMCCQDESA-N", "SMILES:COC(=O)[C@H](C)NP(=O)(CC/C=C(\\C)CO)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRVPZKQGAYTXHJ-WESGCFAHSA-N", "SMILES:C/C(=C\\CCP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHVJXTWVTZPSP-AJPKFXRBSA-N", "SMILES:COC(=O)[C@H](C)NP(=O)(Oc1ccccc1)C(F)(F)C/C=C(\\C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHMXHOVRSTXRZ-ZLBPOZNISA-N", "SMILES:C/C(=C\\CC(F)(F)P(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL356362", "category": ["biolink:ChemicalEntity"], "name": "ISOPENTENYLPYROPHOSPHATE", "xref": ["InChIKey:NUHSROFQTUXZQQ-UHFFFAOYSA-N", "SMILES:C=C(C)CCOP(=O)(O)OP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4760091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYSHGUSXVQWYKC-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(C[SiH](C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAJIFLFYKGQGD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHNKMDPARMMCD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFMBLUIQUJAMEE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)ccc1OCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCRDGKVDBJYMB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)c23)ccc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCPXIXAJVMGIOW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncn(C)c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJISLOFCWOMXJD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncn(CC)c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHCIFPMFKCLCH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncn(C(C)C)c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFCLBFICUWUFP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncn(CC(C)C)c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNRGTKRISRETJF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(OC)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGKMUWLBUIKZDZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(OCC)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPHORMIAYSVQZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(OC(C)C)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRJKAQZHNICDSB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(OCC(C)C)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUDFDISHJZZSP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTTICWAYROVIKZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQFZJOYINHZVKG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQWGSRFNUZVQP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(OCN5C(=O)c6ccccc6C5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNWMWIVFQFTJOX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(OC(c5ccccc5)c5ccccc5)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDWZJCNOLVONI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(NC(=O)C(c5ccccc5)N5Cc6ccccc6C5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCPYWYVSOPJWKF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(OC(=O)C(c5ccccc5)N5Cc6ccccc6C5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDMHKWYJAGTLG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDNGPBPCFVWBAL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSSWGWQQJUPPOG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc5c(ccn5Cc5ccccc5)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHTLRFBWZSNCGA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTYPOENSOIEBPX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc5[nH]c(Cc6ccccc6)nc5c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHMHNJMLULEOJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc(Cc5ccccc5)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUJAJBKJMHVCY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc(Oc5ccccc5)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBWQGJTVHGEOPP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc(OCN5C(=O)c6ccccc6C5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWAOOZOZOALNY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc(OC(c5ccccc5)c5ccccc5)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPJGDXKFEYENFB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)ccc1OC(C)COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOWTORYMLCNEG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)ccc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKKEFRZQWTYHR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)ccc1OCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXMARJQLILHMW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc5[nH]c(Cc6ccccc6)nc5c4)c23)ccc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDZCMFQTVWKVEU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23)ccc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVWHTIHFZVYEIN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23)ccc1OCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGKFGWPPAJKRST-RSKJECSZSA-N", "SMILES:CCC(=O)[C@H]1O[C@@](CCC2=CC(OC)OC2=O)(OC)[C@@]2(C)CCCC(C)(C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4749472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEQXFCHNYOLEQ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCc1ccc(OCc2cccc(-c3ccccc3)c2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACKVFEIIXDXISB-DEOSSOPVSA-N", "SMILES:O=C(O)[C@@H]1CCCCN1Cc1ccc(OCc2cccc(-c3ccccc3)c2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQPDCPMBFQLMO-LSYYVWMOSA-N", "SMILES:N#Cc1cc(COc2cc(OCc3cccc(-c4ccccc4)c3Br)c(Cl)cc2CN2C[C@@H](O)C[C@H]2C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMCNMZVHCHZOH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2n[nH]c(=O)c3ccccc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBGJWKPSMJTZOD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2n[nH]c(=O)c3ccccc23)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBRYGOJQCGUZMW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFUHUDCMBBPXOM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJHNYGALLXVPJM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSBBPJVNSFMNR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQVIOJXDFXKGSM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1)c1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSOAVQNXFDLPY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCRUFOXYUEEEN-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSYOCZLXFIEHEA-UHFFFAOYSA-N", "SMILES:O=C(CC1CCCCC1)Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHQLXHISVZEME-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVIYDHTVCLPJQV-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGOICKJVGZODR-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQUZIXVGJCRKES-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(OC(F)F)cc(F)cc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEBXONZQIONYBK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGDPHSQVLSJCM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(F)cc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEJWXNRDXFQKDR-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(OC3CCC3)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUNLNCVYHQKMJC-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(OC3CCOC3)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDQBSBOOXVNBMT-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(OC3CCOC3)cc(F)cc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTBDBZIBVDAAEJ-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(OCC3CCOC3)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRMBSSKPGOADA-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(OCC3CCOC3)cc(F)cc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLACPISICXXPI-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(-n3ccnc3)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXPYYUMYJVKRD-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(N3CCOCC3)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRRIYFSCAMKSY-UHFFFAOYSA-N", "SMILES:CC1CN(c2cccc3c(N4CCN(c5ccccc5F)CC4)c(C#N)cnc23)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVIYDHTVCLPJQV-UHFFFAOYSA-N", "SMILES:COc1cccc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXRXVDQBZDUWIW-UHFFFAOYSA-N", "SMILES:COc1c(F)ccc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGOICKJVGZODR-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROCSAJYXCABZPT-UHFFFAOYSA-N", "SMILES:COc1c(F)c(F)cc2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIUNEQKZAPFXQN-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(O)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSPSERAVXYISEI-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(O)cc(F)cc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXBNCYNKWMDOS-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(OC(F)F)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCLTVEHZDQGTBC-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(OC3CCC3)cc(F)cc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWQLSDIBLVCRG-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(-n3cccn3)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKTHVFINKHOTLB-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(-n3cncn3)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXDSSMWBYHUOQJ-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(N3CCCC3)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXNKKVFPDSPJK-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(N3CCCCC3)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCKBDTFOHXJHLZ-UHFFFAOYSA-N", "SMILES:N#Cc1cnc2c(N3CCC(F)(F)CC3)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGMNAZCIPIHYKY-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c2c(N3CCN(c4ccccc4F)CC3)c(C#N)cnc12"]}
{"name": "Metabotropic glutamate receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL3777"], "id": "UniProtKB:Q14831", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOXPLWVJQFVRDH-UHFFFAOYSA-M", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC(=O)CCCCC[N+]4=C(/C=C/C=C/C=C/C=C5/N(CCCC)c6ccccc6C5(C)C)C(C)(C)c5cc(C(F)(F)F)ccc54)cc23)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZLHGIDFVKNFC-UHFFFAOYSA-M", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC(=O)CCCCC[N+]4=C(/C=C/C=C/C=C/C=C5/N(CCCC)c6ccc(OC)cc6C5(C)C)C(C)(C)c5cc(C(F)(F)F)ccc54)cc23)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKYZSZLVDTHKH-UHFFFAOYSA-N", "SMILES:CN(CCN(C)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSLYIDUWLDFWGF-UHFFFAOYSA-N", "SMILES:CN(CCN(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQQXGFQSPYSRL-UHFFFAOYSA-N", "SMILES:O=C(c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZGREJALKBYGX-UHFFFAOYSA-N", "SMILES:CN(CCN(C)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)Cc1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYIJXUWYXCIIAZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(CN(C)CCN(C)Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBUDZKAZALTXNS-UHFFFAOYSA-N", "SMILES:Cc1cc2occ(CN3CCN(Cc4cn(-c5cccc(C(F)(F)F)c5)c5ccccc45)CC3)c(=O)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXYVOSVLAIWCDQ-UHFFFAOYSA-N", "SMILES:Cc1cc2occ(C(=O)N3CCN(C(=O)c4cn(-c5cccc(C(F)(F)F)c5)c5ccccc45)CC3)c(=O)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWKCLHVZCVSBA-UHFFFAOYSA-N", "SMILES:O=C(c1coc2ccccc2c1=O)N1CCN(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CASABOSNGORYTE-UHFFFAOYSA-N", "SMILES:CN(CCN(C)C(=O)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQOJNCHXJJXUKI-UHFFFAOYSA-N", "SMILES:O=C(c1coc2ccccc2c1=O)N1CCN(C(=O)c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJNLJKPZIJTAC-UHFFFAOYSA-N", "SMILES:CN(CCN(C)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNBYLLWJVTVQIO-UHFFFAOYSA-N", "SMILES:CN(CCN(C)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)c2ccc([N+](=O)[O-])cc12)C(=O)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLNEKBMMNZWLO-UHFFFAOYSA-N", "SMILES:Nc1cccc(-n2cc(C(=O)N3CCN(C(=O)c4coc5ccccc5c4=O)CC3)c3cc(N)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCVZKSCARKBJD-UHFFFAOYSA-N", "SMILES:O=C(c1cn(-c2cccc(C(F)(F)F)c2)c2ccccc12)N1CCN(C(=O)n2ccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQRRVJMNTHVPPC-UHFFFAOYSA-N", "SMILES:O=C(c1coc2ccccc2c1=O)N1CCN(Cc2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3739428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNLSCCLDBFKPQY-UHFFFAOYSA-N", "SMILES:O=C(c1coc2ccccc2c1=O)N1CCN(Cc2cn(-c3cccc(C(F)(F)F)c3)c3ccc([N+](=O)[O-])cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHZIKJFGQCKXSQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccccc2c1)N1CCN(Cc2cn(-c3cccc(C(F)(F)F)c3)c3ccc([N+](=O)[O-])cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPQARZPMIQSQSR-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCN(Cc2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFOZUNDQSDBPD-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1F)N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNXLPPJRFFECJ-UHFFFAOYSA-N", "SMILES:Cc1cc2occ(CN(C)CCN(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMGGXBNMRBBCS-UHFFFAOYSA-N", "SMILES:CN(CCN(C)S(=O)(=O)c1ccccc1)C(=O)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMBDKZTZYARJL-UHFFFAOYSA-N", "SMILES:CN(CCN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVOBQPXVPAFEC-UHFFFAOYSA-N", "SMILES:CN(CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOBJDDHZFZMBFX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPJBXXKOICXONK-UHFFFAOYSA-N", "SMILES:O=C(c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUGJFCYXKRJPB-UHFFFAOYSA-N", "SMILES:Cc1cc2occ(CN(C)CCN(C)Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)c(=O)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKNZWAMCUNDVSQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2occ(CN(C)CCN(C)Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBAGIVEJCTKCJ-UHFFFAOYSA-N", "SMILES:CN(CCN(C)C(=O)c1cn(-c2cccc(N)c2)c2ccccc12)C(=O)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCADZHCUPJEXRE-UHFFFAOYSA-N", "SMILES:Nc1cccc(-n2cc(C(=O)N3CCN(C(=O)c4coc5ccccc5c4=O)CC3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZAITDMWZVDELI-UHFFFAOYSA-N", "SMILES:CN(CCN(C)C(=O)c1cn(S(=O)(=O)c2cccc(N)c2)c2ccccc12)C(=O)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRKOZFHEAEXMY-UHFFFAOYSA-N", "SMILES:O=C(NCCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNLNTFUKPHEGO-UHFFFAOYSA-N", "SMILES:O=C(NCCCCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWYSJWQDEBZTNM-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZYBTKFRIGGTL-VMMWWAARSA-N", "SMILES:COC[C@H]1O[C@@H](c2c(O)cc(O)cc2O)[C@H](OC)[C@@H](OC)[C@@H]1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDAAOGALUAYEBQ-NFTFIMACSA-N", "SMILES:COC[C@H]1O[C@@H](c2c(O)cc(O)c(C(C)=O)c2O)[C@H](OC)[C@@H](OC)[C@@H]1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBBYJDZJRJWBE-VFHRMQJUSA-N", "SMILES:COC[C@H]1O[C@@H](c2cc(OC(=O)c3ccccc3)ccc2OC(=O)c2ccccc2)[C@H](OC)[C@@H](OC)[C@@H]1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNGQJFBOTAVMLC-SFFUCWETSA-N", "SMILES:O=C(Oc1ccc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1645377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWMUXTZLTOTAQO-MMKBDJJOSA-N", "SMILES:CC(=O)c1c(O)cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4743792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLQSOCCEKSERS-JZYAIQKZSA-N", "SMILES:OC[C@H]1O[C@@H](c2c(O)ccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBDTVAHIGDJLQT-VFHRMQJUSA-N", "SMILES:COC[C@H]1O[C@@H](c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)[C@H](OC)[C@@H](OC)[C@@H]1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHOOYDYKEZGIRX-SJSRKZJXSA-N", "SMILES:O=C(Oc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC(=O)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBGTWYGIVFZFB-LEOABGAYSA-N", "SMILES:COC[C@H]1O[C@@H](c2cc(O)ccc2O)[C@H](OC)[C@@H](OC)[C@@H]1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQHOBCWHPYYAMV-ILYVXUQDSA-N", "SMILES:O=C(Oc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZRIXZNEVJWFY-VLNUYCJTSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)O)O[C@H](CNC(=O)COCCOCCOCCNC(C)=O)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEDAMLRKAVKFJ-VLNUYCJTSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)O)O[C@H](COC(=O)COCCOCCOCCNC(C)=O)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEGNIYAMZUTIO-MGSMBCBTSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNVBOBJUBOUOB-JBCGXEBKSA-N", "SMILES:CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUJOOGAMRXNOEL-LRRDOXMFSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)O)O[C@H](COC(=O)COCCOCCOCCNC(=O)CCCN2C(=O)CC(SCCC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C2=O)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBMAFCZTJGUIKP-LRRDOXMFSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)O)O[C@H](COC(=O)COCCOCCOCCNC(=O)CCCN2C(=O)CC(SCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C2=O)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNNNIEMTMZHTBD-VWKWWSOVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWURUYAKNYOPM-SUMWQHHRSA-N", "SMILES:CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZDWSTNONBAKEY-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKYYXDRTUEUHI-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC(C)Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWIMBOVFJGMEM-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(C)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYXZUMVOWFXLHT-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1CNc1ccc(C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPGOJGEXXHNML-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)cc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJVEYSPMJFZDV-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(C(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTPIJAVXJNAJOS-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CC(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZDHMNSJTDELSQ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIDVHLLOHYVUEZ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCCC(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGXAKNMXJAYCZ-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHJPBNFGKNQMK-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUNBYODVQMUCZ-UHFFFAOYSA-N", "SMILES:CCC1CCCN(c2nc3ccc(Br)cc3c(C(=O)NCC(CCC(=O)O)c3ccccc3Cl)c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMCHMYOBOYNGOM-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNJZQNGFAXOPO-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cccs2)nc2ccc(Br)cc2c1C(=O)NCCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643852", "category": ["biolink:ChemicalEntity"], "name": "BAY-6672", "xref": ["InChIKey:YQOLEILXOBUDMU-KRWDZBQOSA-N", "SMILES:Cc1c(N2CCCC2)nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZAZBQHUFUESV-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVGBDTYPMGOMU-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(C)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVGBJLZVBCJYJY-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)N(C)CCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKDUFLUIQMIROT-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFQGSRRJKESSW-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYILVUHVCFUNJS-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1COc1ccc(C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSVDBJSFVAZDBV-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYMVEPIIOBPLY-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(C(F)(F)F)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXCMTABGWGXJA-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(I)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYFYABJSPCSCT-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(C(C)(C)C)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSZDQLSAKGDDL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)c2c(Cl)c(-c3ccccc3)nc3ccc(Br)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBIXBYRLJIDOKS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)c2c(C3CC3)c(-c3ccccc3)nc3ccc(Br)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKQOUQPPQEIHL-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(C(=O)O)cc2F)c2cc(Br)ccc2[n+]([O-])c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYXVIZFMCZGPTG-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(C(=O)O)cc2F)c2cc(Br)ccc2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PADUSOFNXSUKNK-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(N)=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMVBZSNKHMNMG-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(-c2nnn[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZWSDSOAZQAJDD-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC12CCC(C(=O)O)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARIQIXRCACPFFG-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRZURRGRIUGCGH-UHFFFAOYSA-N", "SMILES:COc1cccc(C(CNC(=O)c2c(C)c(-c3ccccc3)nc3ccc(Br)cc23)CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZBQYLDGVSQMGL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CNC(=O)c2c(C)c(-c3ccccc3)nc3ccc(Br)cc23)CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMSQVUSXYEOFO-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNIAUCQZXXOWLB-UHFFFAOYSA-N", "SMILES:Cc1c(N2CC(F)(F)C2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOLEILXOBUDMU-QGZVFWFLSA-N", "SMILES:Cc1c(N2CCCC2)nc2ccc(Br)cc2c1C(=O)NC[C@@H](CCC(=O)O)c1ccccc1Cl"]}
{"name": "Prostaglandin F2-alpha receptor", "xref": ["CHEMBL.TARGET:CHEMBL4680028"], "id": "UniProtKB:P43118", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSQDOVCYPJDCLP-AWEZNQCLSA-N", "SMILES:CCc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPJXHAWXEVIDTM-AWEZNQCLSA-N", "SMILES:CCOc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZPZODMRVSFNMX-AWEZNQCLSA-N", "SMILES:Cc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNNGKIBLRYSNC-ZDUSSCGKSA-N", "SMILES:COc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQHORALNAXNNO-LBPRGKRZSA-N", "SMILES:C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(OC(F)(F)F)cc32)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJZQCWGLYTVPFB-LBPRGKRZSA-N", "SMILES:C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(F)cc32)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBRSIATVKXQHK-LBPRGKRZSA-N", "SMILES:C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(Cl)cc32)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPALJXSNNSHCW-ZDUSSCGKSA-N", "SMILES:C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(C#N)cc32)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXGERZWQAGIRZ-AWEZNQCLSA-N", "SMILES:Cc1ccc2c(c1)N=C(C1=C[C@H](C)N(C)CC1)c1cc(F)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVWADVPUSLVRJC-AWEZNQCLSA-N", "SMILES:Cc1ccc2c(c1)N=C(C1=C[C@H](C)N(C)CC1)c1cc(Cl)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZHKKQVYYSSEE-HNNXBMFYSA-N", "SMILES:CCc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1ccccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBZOFTWCMCHMEK-ZDUSSCGKSA-N", "SMILES:C[C@H]1C=C(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039528", "category": ["biolink:ChemicalEntity"], "name": "ZICRONAPINE", "xref": ["InChIKey:BYPMJBXPNZMNQD-PZJWPPBQSA-N", "SMILES:CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C"], "synonym": ["Zicronapine", "Zicronapina", "Zicronapine", "LU-31-130", "Lu 31-130", "Zicronapine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4748915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CITBEZAJPJRZNL-UHFFFAOYSA-N", "SMILES:CN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYRJVXUHYYMJNJ-UHFFFAOYSA-N", "SMILES:CN1CCC(C2=Nc3cc(Cl)ccc3Nc3ccccc32)=CC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBIHUJJOAREIRG-ZDUSSCGKSA-N", "SMILES:C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEFDEEXEDSBTQR-AWEZNQCLSA-N", "SMILES:Cc1ccc2c(c1)N=C(C1=C[C@H](C)N(C)CC1)c1cc(OC(F)(F)F)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFKGLNWCCRQRMJ-HNNXBMFYSA-N", "SMILES:Cc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1ccccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBIHUJJOAREIRG-CYBMUJFWSA-N", "SMILES:C[C@@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLKWHNXLDTHEC-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-c2nc(Cc3ccccc3F)n3ccccc23)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOHZPMNOKLTTTM-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-c2nc(Cc3ccccc3F)n3ncccc23)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBJPSONFQFEOJL-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-n2nc(Cc3ccccc3F)c3cc(Cl)ccc32)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSHGCJDDICOAML-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-n2nc(Cc3ccccc3F)c3cc(F)ccc32)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWPPRVRHGLKKCT-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-n2nc(Cc3ccccc3F)c3cc(C#N)ccc32)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJNIITLYGBYHAO-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-n2nc(Cc3ccccc3Cl)c3ccccc32)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNTFPBGZZGJYTA-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-n2nc(Cc3cccc(F)c3F)c3ccccc32)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYFTKGAUZULQV-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-n2nc(Cc3cc(F)ccc3F)c3ccccc32)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGTWWTSGIOGZTH-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-n2nc(Cc3cc(F)cc(F)c3F)c3ccccc32)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHIHSUTZHZEZJO-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)c1c(N)nc(-n2nc(Cc3c(F)ccc(F)c3F)c3cc(Cl)ccc32)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUPYQFTEKQWOL-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4ccccc43)nc(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKDHUXONQKCLQS-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4cc(Cl)ccc43)nc(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXIBFDKAAHJUKJ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2nc(-n3nc(Cc4c(F)ccc(F)c4F)c4ccccc43)nc(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDUMDPQHXDMIF-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2nc(-n3nc(Cc4c(F)ccc(F)c4F)c4cc(Cl)ccc43)nc(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRSTKJEXNOCJD-UHFFFAOYSA-N", "SMILES:CCCc1nn(-c2nc(N)c3c(n2)NC(=O)C3(C)C)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HERQFRFCBTWQEV-UHFFFAOYSA-N", "SMILES:CCCCc1nn(-c2nc(N)c3c(n2)NC(=O)C3(C)C)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNWSSLVZSMNSBC-UHFFFAOYSA-N", "SMILES:CCCCCc1nn(-c2nc(N)c3c(n2)NC(=O)C3(C)C)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJTXALVEYKHAC-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2nc(-n3nc(CCCC(F)(F)F)c4cc(Cl)ccc43)nc(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQPTENEQUQKPM-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2nc(-n3nc(CCC(F)(F)F)c4cc(Cl)ccc43)nc(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHWDYFGTRWGKRI-JXMROGBWSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)/C=C/c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVZQUCHTKITPKI-MDZDMXLPSA-N", "SMILES:CC(C)(O)c1coc(/C=C/S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUAHHNPNEVEQDS-PKNBQFBNSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)/C=C/c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDLEXGAYUJORS-CSKARUKUSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)/C=C/c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVBGJVJWJCVTKP-FMIVXFBMSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)/C=C/c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRMAAFXWJCCEI-ZRDIBKRKSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)/C=C/c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NACJGIPXBWHPJD-CMDGGOBGSA-N", "SMILES:Cc1csc(/C=C/S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJIXBPUOOSHJCK-CMDGGOBGSA-N", "SMILES:Cc1cnc(/C=C/S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOORRWWNNGKYAH-BQYQJAHWSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)/C=C/c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUJYTPBZPMNEH-BQYQJAHWSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)/C=C/c1cscn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYXBXRURHOGHOG-MDZDMXLPSA-N", "SMILES:CC(C)(O)c1csc(/C=C/S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVFGAGOWDESGJ-BQYQJAHWSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)/C=C/c1nc(CO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYITZGHTIKFAHB-MDZDMXLPSA-N", "SMILES:CCSCc1csc(/C=C/S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYEXOGDFILZQCS-MDZDMXLPSA-N", "SMILES:CC[S+]([O-])Cc1csc(/C=C/S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWCHNNNJVCRMA-MDZDMXLPSA-N", "SMILES:CCS(=O)(=O)Cc1csc(/C=C/S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOQXOKUSKIDHMP-MDZDMXLPSA-N", "SMILES:CN(C)C(=O)c1csc(/C=C/S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDBUYKJXPHKDN-DHZHZOJOSA-N", "SMILES:Cc1c2c(c(NC(=O)NS(=O)(=O)/C=C/c3nccs3)c3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYEAHQVFKJKULY-QHCPKHFHSA-N", "SMILES:[N-]=[N+]=NCCCC[C@H](NC(=O)CCCCCNC(=O)c1ccc(CN2CCN(C(=O)n3ccnn3)CC2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMOGXBPYIJZYPH-AQSKMFNESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVLBEYLBKXFLK-AQSKMFNESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCNC(=O)CCCC[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIPICDPXKRSMQG-IVMJIVLBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKGILUJZVOIDN-HXRPQVDYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC/C=C\\CCC[C@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXZJQPNDJVLBY-HWWUQLRNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQLZPGJRQBXDB-YNFHDKFTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)CSCc2cc3cc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@H](CSC3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMBQNPIEOBHQNG-FWYDDHOJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)CSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKGILUJZVOIDN-BFCYYVHKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEZKFPRKCPOPSA-QTOMKLJCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@]1(C)CCC/C=C\\CCC[C@](C)(NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBHJVFRAOSUBM-SSBALUJYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXZJQPNDJVLBY-GKRXLOLXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCHNTIJYUMFUTH-YCPHGPKFSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(=O)O)CCCCNC(=O)c2csc1n2"]}
{"name": "Carboxypeptidase B2", "xref": ["CHEMBL.TARGET:CHEMBL3419"], "id": "UniProtKB:Q96IY4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSIDOZVYCSEJST-XUVXKRRUSA-N", "SMILES:CC(C)[C@H]1COCCC(=O)Nc2ccc(cc2)C[C@@H](NC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVSZWCXUYIMPML-YCPHGPKFSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(=O)O)CCCCNC(=O)c2coc1n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCAFIQDVRSRNM-SCTDSRPQSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(=O)O)Cc2ccc(cc2)NC(=O)c2coc1n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRFMJJLLFBVLU-NQUVTRGKSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccc(-c3csc(N4N=C(c5ccccc5)/C(=N/Nc5nccs5)C4=O)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWLITVBFNMJYLD-BWAHOGKJSA-N", "SMILES:O=C(O)c1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4nccs4)C3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXQMXOZVBOLDT-BWAHOGKJSA-N", "SMILES:O=C(NO)c1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4nccs4)C3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQLPVRRAZUMEX-SXBRIOAWSA-N", "SMILES:O=C(CCCCNC(=O)c1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4nccs4)C3=O)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTJWWWSMIEVRF-TZHWMEPESA-N", "SMILES:O=C(CCCCCNC(=O)c1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4nccs4)C3=O)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANOGYRQVRXBRO-IVQJCJPDSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4nccs4)C3=O)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYISHSKDXWNPA-LCYNSZJLSA-N", "SMILES:O=C(/C=C/c1ccc(CNC(=O)c2ccc(-c3csc(N4N=C(c5ccccc5)/C(=N/Nc5nccs5)C4=O)n3)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUMXFSNICTONZ-SLMZUGIISA-N", "SMILES:O=C(CCCOc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4nccs4)C3=O)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKXYGAHECFHWIH-FAJYDZGRSA-N", "SMILES:O=C(CCCCOc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4nccs4)C3=O)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZATBFJWOTYIPDS-KRUMMXJUSA-N", "SMILES:O=C(CCCCCOc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4nccs4)C3=O)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNPRYDAXWFKUSN-GDWJVWIDSA-N", "SMILES:O=C(CCCCCCOc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4nccs4)C3=O)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQJZFOBZHOGRLS-FSRJSHLRSA-N", "SMILES:O=C(CCCCCCCOc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4nccs4)C3=O)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSYFTDQEYJXKP-MKCFTUBBSA-N", "SMILES:O=C(NO)c1ccc(COc2ccc(-c3csc(N4N=C(c5ccccc5)/C(=N/Nc5nccs5)C4=O)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSISTMZCQJOQNG-DTYDGDTBSA-N", "SMILES:O=C(/C=C/c1ccc(COc2ccc(-c3csc(N4N=C(c5ccccc5)/C(=N/Nc5nccs5)C4=O)n3)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVZVVOQWWCVPP-MOHJPFBDSA-N", "SMILES:O=C1/C(=N\\Nc2nccs2)C(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLLSYLNPPBJLK-CLCOLTQESA-N", "SMILES:CCOc1ccccc1N/N=C1\\C(=O)N(c2ncc(-c3ccccc3)s2)N=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVSZKAYYZEJGI-HNVWBLJASA-N", "SMILES:O=C1C=CCC/C1=C\\C=C\\c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIUGPJAYVYQSN-FDTGTYETSA-N", "SMILES:COc1ccc(/C=C/C=C2\\CCC=CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZGRWUVRERGUHA-XLLULMRDSA-N", "SMILES:COc1cc(/C=C/C=C2\\CCC=CC2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEDLHDKTUKZGOJ-DQICWPNBSA-N", "SMILES:CN(C)c1ccc(/C=C/C=C2\\CCC=CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDUSPQQMFMSMNK-NVQSTNCTSA-N", "SMILES:CC(C)C(=O)c1c(Cc2cccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c2)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFIOFIJTSQNZND-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)Oc3cccc4oc(=O)n(Cc5ccccc5)c34)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBGQMSTUSZWGFJ-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)Oc3cccc4oc(=O)n(CCc5ccccc5)c34)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHBNNLMISFMXHR-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)Oc2cccc3oc(=O)n(CCc4ccccc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMWLMYFYJULIT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1S(=O)(=O)Oc1cccc2oc(=O)n(CCc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLAPENGUFSGHST-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)Oc2cccc3oc(=O)n(Cc4ccccc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKJRVFNMPYQGBB-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(=O)oc3cccc(OS(=O)(=O)c4cn(C)cn4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYUQKGWOZVPCDY-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)Oc2cccc3oc(=O)n(Cc4ccc([N+](=O)[O-])cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULDEJYFSBSBCA-PRDVVYQQSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNAPOCSOVUOSQ-PRDVVYQQSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKQVJGZFKDIMNY-SDMRNOOHSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMZOZDLEEHCORP-MCWAAHJHSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKVRLTUSZKHCFS-UZWIGKRMSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBGCYLSAFPZIHP-BMXXHXMESA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYXRWQBSXDEAQ-XXNJHPRQSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCVJWWNZLZOHHB-BMISOUISSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJEZTVMHFYSIRB-UVDYPLADSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXANBJCYGDZXAS-MCWAAHJHSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATUNBSMOYSKFOO-JYOBDFOLSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBWFNTKMIVTHAQ-MCWAAHJHSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMFSIDOLTGMGQR-AHVWZTQISA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIYITNDKSBNBHY-BHPBEYFWSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFKIXWLVRMIELZ-FBCVKHONSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCCWGKUPVEQRT-PZKZGSKYSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZZHSKRXZXPYML-NVQHVLMFSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDRDEYMXVUFOFE-CAPQXUEYSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSABMWTCSZHFW-AGQURRGHSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGRRFRZYBTSIX-VXJRNSOOSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXOPVJSXZAEBF-IAXYMDMUSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXUIASJUENVQRU-JAVCLAKKSA-N", "SMILES:CC[C@H](O)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWORTDYWPPCMQW-YQAARSKESA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)C(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLAUDNCPVIQLIS-SDMRNOOHSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOXJKUWKRDPINH-DYMZDMDDSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSIQAAQDWAGIJF-PRDVVYQQSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULETYQCOCNMJNZ-JYOBDFOLSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBEUWYBLXVRHHI-HGUCRSPMSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCCO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMXIZGOTPZWDER-JYOBDFOLSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cccc(C(N)=O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICYWYTARNDQPPO-JYOBDFOLSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDSBAIHZBKXHQP-GFDCGGGJSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)c1ccccc1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMPGMHKDSPCGB-KMXCKTRQSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)c1cc(F)cc(F)c1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFIGJVPPVXCCFS-RTCSFYESSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAKZEVZUHQCKN-XCQPDQAKSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFOLPZGLVDULJK-RARHVDORSA-N", "SMILES:C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLASVOSWQTHGN-WEBLYYDWSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)C(=O)[C@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLASVOSWQTHGN-OYFUIKIGSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIAJDSFFRAWWGO-BHXATAKGSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAOSPGSFZFEPDC-PVLKQLJCSA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IREMLEOPZOVZAE-KIRNNDRUSA-N", "SMILES:CC(=O)N[C@H]1CCC(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMXIUIZHQSCQU-JEKVDGBVSA-N", "SMILES:CC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCQCBSUVYWPMO-SKAORLFQSA-N", "SMILES:CC(=O)N[C@H]1CCCCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANLSYXPCDSYZSP-SKAORLFQSA-N", "SMILES:CC(=O)N[C@H]1Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEFUQKBVBIVEY-POSGIZIBSA-N", "SMILES:CC(=O)N[C@H]1Cn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUFWALAFUFXDQ-FCTLQKFKSA-N", "SMILES:CC(=O)N[C@H]1CCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYIZTPJHVAAGJX-GHLNPJBDSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC(=O)CCCn2cc(nn2)CCNC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBFCHSENLDXJX-NXKUQOHCSA-N", "SMILES:CC(=O)N[C@H]1C/C=C/C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYLITRLDHNYAPB-ACNVQZLISA-N", "SMILES:CC(=O)N[C@H]1CCCC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALEVCELPGHXRDW-UVPBPYPFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQCFVJGRYDCVAX-HRXOMLOVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDHKMLJYWUDUQI-PUJFBGJXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPNRLTXQWUKTE-SWTPTLTESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSBPKPBZIFGTQD-QEXXJSEJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFHVUAKRRCOJTJ-WPSJIRQLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSNMCKUTUOKOFU-HMWDEUGQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCC[C@H]1C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFRLFXSEPWQRGL-HEVODRQGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H]1CCC(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCYMTZLLNGVCP-SWBKTXRISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYEPKIULHMENNG-RGNVYAQESA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOQNRGAURBSTA-SIVZTZLCSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCC(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXDYTAYXMXTDJ-TWBRLWOTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H]1CCC(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQWPNMAWSOQDV-ARBBTTOVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)N1CCC[C@H]1C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKIEVQVPWNJAJ-QPWXORFJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H]1CCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWWSNWSIJWUKN-KJHZAFEBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKERWVUVKOWWRO-YLNUKXJCSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWADHXWVWKUGPZ-XYAWJDEWSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIUUAFACWZQRSV-WXCSQJRNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H]1CCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHZDCJJHWPHZJD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETFDRBZGXBULL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(C[N+](=O)[O-])c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEGGBUXRLCEQI-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1Cl)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKZAFOINPWVCDN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1F)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPKPARHMDCJCHB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1C(F)(F)F)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBADCCWDOFZBPB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccc(N2CCCCC2)cc1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSPNRDBWHHFMH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C(C[N+](=O)[O-])c3cccs3)c(-c3ccccc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUCGGZWSKCNDL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C(C[N+](=O)[O-])c3nccs3)c(-c3ccccc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTWTVTIDTIARLD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1c(-c2ccccc2)[nH]c2ccccc12)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLECFWKZCDJCDQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDQEIKBUOYTCY-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(C[N+](=O)[O-])c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXICFJKMYVSQBX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEAWFYZKBZKQGE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccc2ccccc2c1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZESOOWRXHOMOTI-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1cccs1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNXTUOSDOOFOH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccsc1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYOZXDJCTOEOFN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccco1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGSSPPONDRCGH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1nccs1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKQGDPUISOETSU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(Cc1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZMZSCLUADXQHC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQZMVXQWYBIFG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWCAFAXUXGFUMF-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHJFRJUWKRNQIK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAQJGGARCJVFN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1c(Cl)cccc1Cl)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQSFVQQKYCQDC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccc(F)cc1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRWORUVWLBYAO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1cccc(F)c1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMPBBFLQQDCHB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccc(N2CCCC2)cc1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZCXWHHDKCQHZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1cccc(N2CCCC2)c1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCQBDGNPPUADRU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1N1CCCC1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVEQPGIPMMMGSQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccc(C(F)(F)F)cc1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSHSNUYOBHZEBV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1cccc(C(F)(F)F)c1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXCDRPWYHYBJD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccc(N2CCOCC2)cc1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENNTHVPPUYOQF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJTUXTNQOLVBDL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1cccc2ccccc12)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJKUIYPGKAXMQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccoc1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROSQEDHKJBPKZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccc[nH]1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZBASKJUJKCPZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ncco1)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZYSLWPQKBRHFP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C(C[N+](=O)[O-])c3ncco3)c(-c3ccccc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFUHIJICQNMGQK-UHFFFAOYSA-N", "SMILES:Cn1ccnc1C(C[N+](=O)[O-])c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQBSIFMGHUSDB-UHFFFAOYSA-N", "SMILES:Cn1cncc1C(C[N+](=O)[O-])c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29898", "category": ["biolink:ChemicalEntity"], "name": "QUINALIZARIN", "xref": ["InChIKey:VBHKTXLEJZIDJF-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEJMCFWWVSSWOF-XDHOZWIPSA-N", "SMILES:Cc1cc(NC2=NC(=O)/C(=C\\c3c4ccccc4cc4ccccc34)S2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXWXAJEMKYCOS-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2=NC(=O)CS2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZIIWDACMQEGPQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC2=NC(=O)CS2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGHPEFJAWHRVLE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)CN2CCN(c3ccccc3)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZAGTAPJCLVZHA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)CCl)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVXWJHYFCIBBMS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)CN2CCOCC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1619395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQJFGAWHCQCMF-UHFFFAOYSA-N", "SMILES:CCN1CCN(CC(=O)Nc2cc(C)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDNPODVYGVNCS-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1545480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJICGSIRAJIDN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)CCl)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPDWLHZBRIXLOY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccccc3c(-c3c[nH]c4ccccc34)[n+]2[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFCUWKMKBJTWLW-BKHRDMLASA-N", "SMILES:CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1"], "chembl_natural_product": true}
{"name": "Aspartyl/asparaginyl beta-hydroxylase", "xref": ["CHEMBL.TARGET:CHEMBL4680030"], "id": "UniProtKB:Q12797", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067492", "category": ["biolink:ChemicalEntity"], "name": "BLEOMYCIN", "synonym": ["Bleomycin", "Bleomycin", "Bleomycine", "Bleomicina", "Bleomycins", "Blenamax", "Bleocin", "Bleomycin", "Bleomycin hexal", "NSC-125066", "Bleo"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL356769", "category": ["biolink:ChemicalEntity"], "name": "TUBACIN", "xref": ["InChIKey:BHUZLJOUHMBZQY-YXQOSMAKSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc([C@H]2O[C@@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)C[C@@H](c3ccc(CO)cc3)O2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVAGBRFUYHSUHA-LZOXOEDVSA-N", "SMILES:COc1c/c(=C2\\C=c3ccccc3=N2)[nH]/c1=C\\c1[nH]c(C)cc1C.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCECQMWEVWXYIY-PARASPEISA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OP(=O)(O)O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc4cc(O)ccc4c3Oc3c2ccc2cc(O)ccc32)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAWFWUZOFSLAPI-NEKOHDDDSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OP(=O)(O)O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc4cc(O)ccc4c3Oc3c2ccc2cc(O)ccc32)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77517", "category": ["biolink:ChemicalEntity"], "name": "INDISULAM", "xref": ["InChIKey:SETFNECMODOHTO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1"], "synonym": ["Indisulam", "Indisulam", "Indisulam", "Indisulam", "E-7070", "E7070", "Indisulam"], "chembl_natural_product": true}
{"name": "RNA-binding protein 39", "xref": ["CHEMBL.TARGET:CHEMBL4680031"], "id": "UniProtKB:Q14498", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQFBMXGXTKCGST-SNOSBAIWSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(N(C)c3ccccc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTJASFNLKKZKMK-QTWSNBRVSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(-c3cccc(F)c3F)c2)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTRDWBVLHZGUCW-WTMYFBLBSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(C)c(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(-c3ccccc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMKVCBFOXCELJA-MFVNDEGASA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(-c3cccc(C(C)(C)C)c3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUZGGQLEFRAGSK-RVKOZSAISA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(-c3ccc(N(C)C)cc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRVPRWISVYUDRG-GVYXSLNHSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(C#CC#Cc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)cc2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRVPRWISVYUDRG-RYYFUXLTSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2)[nH]1)c1ccccc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUSIGCMDCJYENH-PLGVYSAESA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(C#CC#Cc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2-c2cccc(-c3ccccc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMGVMSWCIVFUHP-GDJWANQJSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(C#CC#Cc2c(C)cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2-c2ccccc2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAHJAQUBKSDMBA-JCHYYCFVSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(C#CC#Cc2c(F)cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2-c2ccccc2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFGSEWXATFKDOY-YDPTYEFTSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C#CC#Cc2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)n3)cc2)c[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHUTENTPZILPK-JCHYYCFVSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(C#CC#Cc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2-c2ccccc2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKJKNLCTCXSJR-DYNIUFMISA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(-c3ccccc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJVLBKGOHFCKV-BXKOMVMVSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(Oc3ccccc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZKTOXTNYOQLR-BXKOMVMVSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(Sc3ccccc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKQELHBAUZPPA-HMIXDJPHSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(-c3ccc(N4CCN(C)CC4)cc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRXYOLOOVOWQH-JYIZQLJCSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(-c3cccc(-c4ccccc4)c3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGLWNBTWHASRBV-JYIZQLJCSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(-c3ccc(-c4ccccc4)cc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXEYGTAOOLIULQ-ZCXCRYNXSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(N3CCN(C)CC3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FONGNFKPHNUKIJ-DYNIUFMISA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(-c3ccccc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMAPYJJMKEJJS-MFVNDEGASA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(-c3ccc(C(C)(C)C)cc3)c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFQVKTCXABDWBR-GVYXSLNHSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)cc2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFQVKTCXABDWBR-RYYFUXLTSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(C#CC#Cc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2)[nH]1)c1ccccc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFOXDVQLPWZWMI-VMOTXQHSSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(C#CC#Cc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2-c2ccc3ccccc3c2)[nH]1)C(C)C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXKYRSFCODUPSI-LLKZCWBVSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(C#CC#Cc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2-c2ccc(C(C)(C)C)cc2)[nH]1)C(C)C.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPAQVHTXRUBATF-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCS(=O)(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOIPIFGVZNDCCW-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)CC(=O)N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAKLQLGGXQPLRV-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)CS(=O)(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFJBQYDTDVUFOI-JXMROGBWSA-N", "SMILES:COc1cc(NC(=O)/C=C/CN2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYBDSIFKCBXSEB-UHFFFAOYSA-N", "SMILES:CSC(=S)NCCNC(=O)CCC(=O)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNCLPKHVNZQTDW-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCNC(=O)CCC(=O)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVJHOQFIAAZHBQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)CCC(=O)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYIPBSOCLBYEIE-QPJJXVBHSA-N", "SMILES:O=C(O)CN1CC(=O)Oc2c(/C=C/c3ccc(O)cc3)cccc21"]}
{"name": "Aldo-keto reductase family 1 member B7", "xref": ["CHEMBL.TARGET:CHEMBL3421523"], "id": "UniProtKB:Q5RJP0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMLPQLWUARUQQ-FNORWQNLSA-N", "SMILES:COc1cc(/C=C/c2cccc3c2OC(=O)CN3CC(=O)O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXEXSFVJBIGUSX-JXMROGBWSA-N", "SMILES:CC(C)(C)c1ccc(/C=C/c2cccc3c2OC(=O)CN3CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARGMXVTTDKSME-QPJJXVBHSA-N", "SMILES:O=C(O)CN1CC(=O)Oc2c(/C=C/c3ccc(C(F)(F)F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNYDVWJKOWXKC-QPJJXVBHSA-N", "SMILES:O=C(O)CN1CC(=O)Oc2c(/C=C/c3ccc(F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKVLCOTFDSXBV-MDZDMXLPSA-N", "SMILES:O=C(O)CN1CC(=O)Oc2c(/C=C/c3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYMAUNOZQOLGTF-UHFFFAOYSA-N", "SMILES:O=C(O)CN1CC(=O)Oc2ccccc21"]}
{"name": "Aldo-keto reductase family 1 member B1", "xref": ["CHEMBL.TARGET:CHEMBL2622"], "id": "UniProtKB:P07943", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICRRDIVNYFTQW-MDZDMXLPSA-N", "SMILES:Cc1ccc(/C=C/c2cccc3c2OC(=O)CN3CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGIGAIOVFDWLSY-VMPITWQZSA-N", "SMILES:COc1ccc(/C=C/c2cccc3c2OC(=O)CN3CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDVYHMNNOWAAZ-QPJJXVBHSA-N", "SMILES:O=C(O)CN1CC(=O)Oc2c(/C=C/c3ccc([N+](=O)[O-])cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVAJXWMHGZEQP-SDNWHVSQSA-N", "SMILES:O=C(O)CN1CC(=O)Oc2c(/C=C/c3ccc(-c4ccccc4)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFYJZZOCLGHEA-UHFFFAOYSA-N", "SMILES:O=C(O)CN1CC(=O)Oc2c(-c3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOQGKONPUCLMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc3c2OC(=O)CN3CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVGFYNJJXGZCZ-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2cccc3c2OC(=O)CN3CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOGMNODPBRKGFE-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2cccn2-c2ccc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXDUOBQUMPJZQE-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cccc2C(=O)N2CCSCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVXZCOTWEIUPKV-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cccc2C(=O)NCCO)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKNPXJNVSMLUMX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(-n3cccc3C(=O)NCCO)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3664957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSPOTYTNSRZGK-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCc2nnc(NC(=O)Cc3ccccc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIOJKCAJOGZVNA-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCSc2nnc(NC(=O)Cc3ccccc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZRVPWLXPUBTMI-PMACEKPBSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccc4)s3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPPRHTZLIYCZRK-UHFFFAOYSA-N", "SMILES:Nc1nnc(CCSc2nnc(NC(=O)Cc3ccccc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUFJLWMEKEEGR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccn1)Nc1nnc(CCSc2nnc(NC(=O)Cc3ccccc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFWQGKFZPGTHV-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCSc2nnc(NC(=O)Cc3ccccc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKROZSRCRYACI-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CC(=O)Nc2nnc(CCSc3nnc(NC(=O)Cc4ccccc4)s3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPDUSRLYJIRII-UHFFFAOYSA-N", "SMILES:Nc1nnc(SCCc2nnc(NC(=O)Cc3ccccc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQMERQQICOTBB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCSc2nnc(NC(=O)Cc3ccccn3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOKREKWYRNFJV-UHFFFAOYSA-N", "SMILES:Nc1nnc(CCSc2ccc(NC(=O)Cc3ccccc3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDQSVBZWMNTRRX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc(SCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMGVDAOTBQKFV-UHFFFAOYSA-N", "SMILES:Nc1nnc(SCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKRFFBVHKNCIJY-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc(CCSc2nnc(NC(=O)Cc3ccccc3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SESLHTLSTWKYKA-FQEVSTJZSA-N", "SMILES:C#CCCC1(CCOc2cc3c(cc2C(=O)OC)-c2cc(=O)c(C(=O)O)cn2[C@H](C(C)C)C3)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFGUIPLHFBYIB-FYIPUUIRSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O"]}
{"name": "ATPase family AAA domain-containing protein 2B", "xref": ["CHEMBL.TARGET:CHEMBL2176775"], "id": "UniProtKB:Q9ULI0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFQPQIREVPXFB-FCNDXCBGSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVNJEOWUACVYQG-XLIKFSOKSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKTXDBCKPWMWLU-XLIKFSOKSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCPHWBJUEHKHIH-YJXWTMGESA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNOZRRODVDIOI-FCNDXCBGSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERKXCAWBBUKSJ-IIZANFQQSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMTZDVPNUUCJH-RANQHSTISA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAWUFNNKQWAAKM-MDAYSTJASA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJVRBZRZDXNBRQ-YPTYPBBZSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMJLFWYZBUPSY-MDUNCXBVSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXIBIBXJMYWNL-ILBGXUMGSA-N", "SMILES:Cc1cncc(-c2ccc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c3[nH]c(=O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1209038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBKDQESIWDNDOT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZWSZGVTKNYBGX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNKGYWFCFILCJW-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1nnc(S(N)(=O)=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVZGQBMHOJKRPI-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZIYHIRJHYIRQO-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1nnc(S(N)(=O)=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288786", "category": ["biolink:ChemicalEntity"], "name": "PROPAZOLAMIDE", "xref": ["InChIKey:PCBBBQKRWNGNDW-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1nnc(S(N)(=O)=O)s1"], "synonym": ["Propazolamide", "Propazolamida"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQJNRKJYIPJJPE-MTJSOVHGSA-N", "SMILES:COc1cc(/C=C(/C(N)=O)n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYGKUKNGQRESX-SNVBAGLBSA-N", "SMILES:C[C@H]1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16958", "category": ["biolink:ChemicalEntity"], "name": "STAUROSPORINONE", "xref": ["InChIKey:MEXUTNIFSHFQRG-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL127277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLHXPQPLYRWYLK-UHFFFAOYSA-N", "SMILES:O=C1NC(O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXSMBSHFGRUPOO-UHFFFAOYSA-N", "SMILES:COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXIUWDFOIRCIZ-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4294912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZFDXZCJALHRF-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1c1c3cc(O)ccc3[nH]c1c1[nH]c3ccccc3c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4284275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNDFPNAHYUNPF-UHFFFAOYSA-N", "SMILES:COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4783165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OACUBEYOUYNZNZ-UHFFFAOYSA-N", "SMILES:CN1Cc2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMQWADPKWJWBZ-UHFFFAOYSA-N", "SMILES:CNn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL268368", "category": ["biolink:ChemicalEntity"], "name": "STAUROSPORINE AGLYCON", "xref": ["InChIKey:KAJXOWFGKYKMMZ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POTTVLREWUNNRO-UGZRAAABSA-N", "SMILES:CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4754496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSUPPPFXULBCSG-WQTPIHHPSA-N", "SMILES:CO[C@@H]1[C@H](N)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4758448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHKISSMZIQZRF-ZTUXULFESA-N", "SMILES:CO[C@@H]1[C@H](NC(C)=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQKRNULLCXNRU-LCWSOADTSA-N", "SMILES:CC(=O)N[C@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOGRCYLUNKUCSL-NNQKRKOOSA-N", "SMILES:CC(=O)N[C@H]1C[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)O[C@@H](C)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4216395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOGRCYLUNKUCSL-PAFZLBRNSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)O[C@@H](C)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4279758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSYSYIIGPUCMY-FIHZCICZSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](n2c3ccccc3c3c4c(c5c6cc(O)ccc6[nH]c5c32)CNC4=O)O[C@@H](C)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4287662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOELNZYRZIJSGB-FIHZCICZSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)O[C@@H](C)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4759925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDMEXLVPVMZFP-DBMFJNQHSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)O[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRENHRYHWHSBLM-OCGXLOOESA-N", "SMILES:CO[C@@H]1[C@H](N(C)C(C)=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4777775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTIDGMIDKHWTJ-UIVGRZTISA-N", "SMILES:CO[C@@H]1[C@H](N(C)C(C)=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPVWBABADFXCPH-QNGCTEGKSA-N", "SMILES:CO[C@@H]1[C@H](N(C)C=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4794799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXMGCYZCUKZRO-YFSCRWCDSA-N", "SMILES:CO[C@@H]1[C@H](N(C)C(N)=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYDGAFRLCRUDD-FYTWVXJKSA-N", "SMILES:CO[C@@H]1[C@H](NC=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWJBUYRRHZVFX-VDYOCSOSSA-N", "SMILES:CO[C@H]1[C@@H](N2CC[C@@H](O)C2=O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKKRYWFJENRSKQ-IJZAQJEPSA-N", "SMILES:CO[C@@H]1[C@H](NC(=O)C(=O)c2c[nH]c3ccccc23)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCOPBVQTBWBCIK-DYEJEPNJSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@@H](O)[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4757830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQEYSLLYHGBNMQ-WEGPUGCWSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@@H](O)[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4798605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCPLNZYEXWBPN-LNRBDPHZSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@@H](O)[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCPLNZYEXWBPN-RSUSOKCHSA-N", "SMILES:CO[C@H]1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1O[C@@]3(C)[C@H](OC)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEJXXJMESMRQJ-BAHAWPTLSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@@H](O)[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEJXXJMESMRQJ-JWNYCSRWSA-N", "SMILES:CO[C@@H]1[C@@H](O)[C@@H](O)[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@@H]4O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSJFVOAURBIGTC-GNIPNZNASA-N", "SMILES:CO[C@@H]1[C@@H](O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4762923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSJFVOAURBIGTC-IFGWQFMBSA-N", "SMILES:CO[C@@H]1[C@H](O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4762628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZPCNXORIOQSOG-SWHIWACISA-N", "SMILES:CO[C@@H]1/C(=N/O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4753069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEYKSOPHNOEBZ-JRLVAEJTSA-N", "SMILES:CO[C@@H]1C(=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4793766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEYKSOPHNOEBZ-KAZGAHJFSA-N", "SMILES:CO[C@H]1C(=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANDHYTBFACIPGQ-FBOFCAQXSA-N", "SMILES:C[C@]12O[C@H](C[C@@H](O)[C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4214897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQXRLNOOGRQEB-FUJFFIKUSA-N", "SMILES:C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4757004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLWSNGQWGXTTDT-VXFGIISVSA-N", "SMILES:C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@@H](N)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4288105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARICDGIAQPTML-RBFJYNKASA-N", "SMILES:C[C@@H]1O[C@@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4796257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQHIYLYXNEVEU-JKHXMZLYSA-N", "SMILES:C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@H]1OC(O)C1CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4741653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDMDSRARYDKBY-VCPAMCLESA-N", "SMILES:C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](NC=O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4753473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFKVOZMPKQXBD-JJYOEPKCSA-N", "SMILES:C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@@H](NC=O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4207068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQXRIMLEOPQQP-DDWDLLSFSA-N", "SMILES:C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4740769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHESBSYBSVWLBK-LABRRDKOSA-N", "SMILES:C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGSKRAMTUVAKQU-JBPDVAJASA-N", "SMILES:CO[C@H]1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNTBARAJWLFHCQ-QKDKZOFOSA-N", "SMILES:C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)[C@H](O)NC4=O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBELEMSZEPUNJB-SCZMJFPFSA-N", "SMILES:C[C@@H]1O[C@@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4794897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDMZDDZGWSSSQT-VTGNNDLQSA-N", "SMILES:CO[C@@H]1[C@H](O)[C@H](O)[C@H](C)O[C@H]1n1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)CNC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4760895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLLDRWWCOURCP-NFDJEIBPSA-N", "SMILES:C[C@@H]1O[C@@H]2C[C@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4790533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLLDRWWCOURCP-ODHZMDBOSA-N", "SMILES:C[C@H]1O[C@@H]2C[C@](O)([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4291517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPZGORZKOUWMU-WADAIWCGSA-N", "SMILES:C[C@@H]1O[C@@H]2C[C@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4280872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPZGORZKOUWMU-BWNIXSQGSA-N", "SMILES:C[C@H]1O[C@@H]2C[C@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4784365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNEZMBLJZLTXBD-NGOKVRLYSA-N", "SMILES:COC1=C(C)O[C@@H]2C[C@@]1(OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4777074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOWMLSNDIUHZQO-ICTDUMCDSA-N", "SMILES:CO[C@@H]1C(C)(O)O[C@@H]2C[C@@]1(OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZFSFOOLUUIGY-BLIZRMSTSA-N", "SMILES:COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWAJOEQBPYCWCG-KEFSCGHKSA-N", "SMILES:CN[C@]1(C(=O)OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSMGKDNRKDOIHL-KEFSCGHKSA-N", "SMILES:COC(=O)[C@@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4758636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNKYNXPKLRZSRR-TUZCJGOLSA-N", "SMILES:COC(=O)[C@H]1C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSOPBXQXSAAAC-PLZPTFKGSA-N", "SMILES:C[C@]12O[C@H](C[C@]1(O)C(=O)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4745928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTAPSDDUMODIRU-WIDSHULWSA-N", "SMILES:C[C@]12O[C@H](C[C@]1(O)C(=O)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4781676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIEABDRHBPJIOS-LZZYYUTMSA-N", "SMILES:COC(=O)c1cccc2c1NC1(C[C@H]3O[C@]1(C)n1c4ccccc4c4c5c(c6c7ccccc7n3c6c41)C(=O)NC5)C(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNXFAQOLPLWSJZ-NGOKVRLYSA-N", "SMILES:CNC(=O)C[C@H]1O[C@@](C)(C(=O)OC)n2c3ccccc3c3c4c(c5c6ccccc6n1c5c32)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGPRRIGJIXIIC-UHFFFAOYSA-N", "SMILES:O=C(c1cc2c(s1)CCCC2)N1CCCC(c2cc(C(F)F)nc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHYHQMFAMRYKQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCCC(c3ccnc4ncnn34)C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSUADMVMWEIKU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCCC(c3ccnc4ncnn34)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIKQTIAGHXTOX-HNNXBMFYSA-N", "SMILES:COc1ccc(CC(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDUMATANBDEZEU-AWEZNQCLSA-N", "SMILES:O=C(c1ccccc1)N1CCC[C@H](c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZNRWTVOKHTIFF-NSHDSACASA-N", "SMILES:O=C(C1CC1)N1CCC[C@H](c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQVXJONSDPSGPL-UHFFFAOYSA-N", "SMILES:O=C(C1CCCCC1)N1CCCC(c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSZQESOEXLPIBQ-ZDUSSCGKSA-N", "SMILES:COc1ccccc1C(=O)N1CCC[C@H](c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDLGNJUNVWHLR-AWEZNQCLSA-N", "SMILES:COc1cccc(C(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCZAUBCLCFIOLN-AWEZNQCLSA-N", "SMILES:COc1ccc(C(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMWPFFHPHYKIA-HNNXBMFYSA-N", "SMILES:N#Cc1ccc(C(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKSXJOKIOBKRPN-ZDUSSCGKSA-N", "SMILES:O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDUYCGXHIZWGQY-AWEZNQCLSA-N", "SMILES:O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNDPBXHAFBXLSC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2occc2c1)N1CCCC(c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACILVPXHSUHXNS-UHFFFAOYSA-N", "SMILES:CC(=O)n1ccc2cc(C(=O)N3CCCC(c4ccnc5ncnn45)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBXISJADFDHQV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1ccc2cc(C(=O)N3CCCC(c4ccnc5ncnn45)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJIOEJITUVZBJ-AWEZNQCLSA-N", "SMILES:O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBXISJADFDHQV-MRXNPFEDSA-N", "SMILES:CS(=O)(=O)n1ccc2cc(C(=O)N3CCC[C@@H](c4ccnc5ncnn45)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBXISJADFDHQV-INIZCTEOSA-N", "SMILES:CS(=O)(=O)n1ccc2cc(C(=O)N3CCC[C@H](c4ccnc5ncnn45)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSLCOONQPYISI-AWEZNQCLSA-N", "SMILES:O=C(c1cc2c(s1)CCCC2)N1CCO[C@H](c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYNGFOCBVXTTI-UHFFFAOYSA-N", "SMILES:O=C(c1cc2c(s1)CCCC2)N1CCNC(c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIMYRYFPLGXSJI-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cc3c(s2)CCCC3)CC1c1ccnc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQNSWPDLHVQTBY-UHFFFAOYSA-N", "SMILES:O=C(c1cc2c(s1)CCCC2)N1CCCCC(c2ccnc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPDDVCSBQXPLC-UHFFFAOYSA-N", "SMILES:Cc1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2ncnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYLPNZJAUZKZOX-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2ncnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSOHPYHFQDBVEE-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2ncnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEYHDFBDGFEAHO-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2ncnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGPEAHYFLTJPO-UHFFFAOYSA-N", "SMILES:O=C(c1cc2c(s1)CCCC2)N1CCCC(c2cc(C(F)(F)F)nc3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQOBCGNEXNXNCO-UHFFFAOYSA-N", "SMILES:O=C(c1cc2c(s1)CCCC2)N1CCCC(c2cc(C(F)F)nc3ccnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMFAWQRCBOGKH-UHFFFAOYSA-N", "SMILES:Cc1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2ccnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEDMFKVVMMVZFP-UHFFFAOYSA-N", "SMILES:O=C(c1cc2c(s1)CCCC2)N1CCCC(c2ccnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHNNVDXNLOGZGH-UHFFFAOYSA-N", "SMILES:Cc1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2nc(C)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKRUQABJYHDWTQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2nc(C(F)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFLONIYJGKAXRQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCCC(c3cc(C(F)F)nc4ncnn34)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEOURKOWEYUKPI-UHFFFAOYSA-N", "SMILES:FC(F)c1cc(C2CCCN(Cc3ccc4occc4c3)C2)n2ncnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZCFMHHPOAAQM-ZDUSSCGKSA-N", "SMILES:Cc1cc(CN2CCC[C@H](c3cc(C(F)F)nc4ncnn34)C2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPFQARGKWILRS-HNNXBMFYSA-N", "SMILES:Cc1cc(CN2CCC[C@H](c3cc(C(F)F)nc4ncnn34)C2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYEXNMDIPNPRIQ-UHFFFAOYSA-N", "SMILES:CC1CCN(C(=O)c2ccc3occc3c2)CC1c1cc(C(F)F)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYEXNMDIPNPRIQ-IUODEOHRSA-N", "SMILES:C[C@@H]1CCN(C(=O)c2ccc3occc3c2)C[C@H]1c1cc(C(F)F)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFKDTQHXWRSKP-TZMCWYRMSA-N", "SMILES:COc1ccc(C(=O)N2CC[C@@H](C)[C@H](c3cc(C(F)F)nc4ncnn34)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOPGUDJAXXMCV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccnc(N2CCC(C)C(c3cc(C(F)F)nc4ncnn34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANYCXCQWHUHAKF-UKRRQHHQSA-N", "SMILES:C[C@@H]1CCN(c2cc(C(C)(C)C)ccn2)C[C@H]1c1cc(C(F)F)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMXQOYPSMSJQRK-CRAIPNDOSA-N", "SMILES:C[C@@H]1CCN(c2cc(-c3ccccc3)ccn2)C[C@H]1c1cc(C(F)F)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILIPJDNEJWTEOK-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCCC2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYXSWCUDMULFML-UHFFFAOYSA-N", "SMILES:CCCN(CC1CCOC1)C(=O)c1cc(OC)c2oc(NCc3cccc(Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALUSALYWAKXDAG-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCCC2(C)C)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GERBZUJMPQCTOX-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(C)(C)C2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHDGEFPCPZZDOK-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCOCC2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZHJACGATLINFM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCOC(C)(C)C2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGKCUUVVYKTRBH-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)CC2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNGBGUWNXCTGIO-LJQANCHMSA-N", "SMILES:COc1cc(C(=O)N2CC[C@@H](O)C(C)(C)C2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGVGNBBKQBWTHH-FZKQIMNGSA-N", "SMILES:COc1cc(C(=O)N2CC[C@@H](O)[C@H](C)C2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGVGNBBKQBWTHH-UGSOOPFHSA-N", "SMILES:COc1cc(C(=O)N2CC[C@H](O)[C@@H](C)C2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGVGNBBKQBWTHH-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNLVIPVJDMJTHL-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(NCc3cc(Cl)ccn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOIACCSJKYPERD-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(NCc3cncc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWPJAVAIJXGMI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(NCc3ccnc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENUVOFUVDAPTB-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(NCc3cccc(Cl)n3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMQXLXGUUCXHAP-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(NCc3cc(Cl)ccc3F)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWVVCEFOHSRKBI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(NCc3cc(Cl)ccc3O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNOOJXWDNGHET-BIWSTMPVSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(N[C@@H](C)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNOOJXWDNGHET-SHYRYGCCSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYPSCXUDTUFYMJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(NC(c3cccc(Cl)c3)C(F)(F)F)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYQZFUXKVWKQY-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(NC3(c4cccc(Cl)c4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHDPALRFABLCC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2nc(NC3(c4cccc(Cl)c4)CCC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWIHKRFBOTYCIM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cc2oc(NCc3cccc(Cl)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVYUYJDAAIBGE-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(O)C(C)C2)cn2nc(NCc3cccc(Cl)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBAJYTJPLUFOFC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CC(C)C(O)CC2C)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSYBIDNUWVRWPY-UHFFFAOYSA-N", "SMILES:CCC1CC(O)C(C)CN1C(=O)c1cc(OC)c2oc(NCc3cccc(Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUQYDOXLDAUFK-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CC(C)C(O)CC2C2CC2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSRWXFAOPAJCC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CC(C)C(O)CC2CCO)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOYRYTJNYPCUMV-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CC(C)CCC2CCO)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANGRELWBUHOHB-GZAIGYLVSA-N", "SMILES:COc1cc(C(=O)N2CCOC(C)(CCO)C2)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYOQCGVBTHUUMR-ZRXROJEFSA-N", "SMILES:COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTECQOSHYUCFMD-YPXVIYJXSA-N", "SMILES:CC[C@@H]1CO[C@@](C)(CCO)CN1C(=O)c1cc(OC)c2oc(N[C@H](C)c3cccc(Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWEFTZYNVLZOBR-TXKKKEFDSA-N", "SMILES:COc1cc(C(=O)N2CC(C)OCC2CO)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMTPPQGUBJBLMN-KHYOSLBOSA-N", "SMILES:COc1cc(C(=O)N2C[C@H](C)OC[C@@H]2CCO)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMTPPQGUBJBLMN-SPYBWZPUSA-N", "SMILES:COc1cc(C(=O)N2C[C@@H](C)OC[C@H]2CCO)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRTVXKUVHBSTOY-ZLEOYOFJSA-N", "SMILES:COc1cc(C(=O)N2CC(C)OCC2C2CC(O)C2)cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHKCJVUJWANBND-PDNQZYNLSA-N", "SMILES:COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cc2nc(NCc3cc(Cl)ccn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBCQBXCSVFASGH-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CC(C)OCC2CCO)cc2nc(NCc3cc(Cl)ccn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUDPJXGZMFYHNW-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CC(C)OCC2C2CC(O)C2)cc2nc(NCc3cc(Cl)ccn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGDEIPTGKMLGZ-NKTHEXPSSA-N", "SMILES:COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cn2nc(NCc3cccc(Cl)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIUCVTROLFKCNX-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CC(C)OCC2CCO)cn2nc(NCc3cccc(Cl)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCUOCAOXXJCEAT-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CC(C)OCC2C2CC(O)C2)cn2nc(NCc3cccc(Cl)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVOWPSKZGNRGNT-OPLDYHSJSA-N", "SMILES:COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMHHBJXBHCBMU-ADLFWFRXSA-N", "SMILES:COc1cc(C(=O)N2C[C@H](C)OC[C@@H]2CCO)cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAZBEQQNMLSDQD-QGSYWXNBSA-N", "SMILES:COc1cc(C(=O)N2CC(C)OCC2C2CC(O)C2)cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVHERRPLOWLNS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(Cl)c1)c1ccc2cn(CCn3cccn3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXVFJGWLDBZBS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(Cl)c1)c1cc(Cl)c2cn(CCn3cccn3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAKRQQUKTMMEIE-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCc2cccc(Cl)c2)cc2nn(CCn3cccn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUGAYGUVUVXXGY-HNNXBMFYSA-N", "SMILES:CCn1cccc(-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2OC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLAVVLEPYCZBF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)Cc2cccc(Cl)c2)C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYRRBFOLCCUIR-UHFFFAOYSA-N", "SMILES:CCCN(CC1CCOC1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPTSICZAGMZSIH-UHFFFAOYSA-N", "SMILES:CCCN(CC1CCOC1)C(=O)c1cc(Cl)c2oc(NCc3cccc(Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDAOTVLPANGTPO-UHFFFAOYSA-N", "SMILES:CCCN(CC1CCOC1)C(=O)c1cc(C)c2oc(NCc3cccc(Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYNGDUFAWQLTKF-UHFFFAOYSA-N", "SMILES:CCCN(CC1CCOC1)C(=O)c1cc(CC)c2oc(NCc3cccc(Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLODDZKGOZGGHO-UHFFFAOYSA-N", "SMILES:CCCc1cc(C(=O)N(CCC)CC2CCOC2)cc2nc(NCc3cccc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYJSWTWLSPWSOE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(Cl)c1)c1ccc2cn(CCN3CCOC3=O)nc2c1"]}
{"name": "Prothrombin", "xref": ["CHEMBL.TARGET:CHEMBL3078"], "id": "UniProtKB:P18292", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Thrombin", "xref": ["CHEMBL.TARGET:CHEMBL2040703"], "id": "UniProtKB:Q28731", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4115984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLEBNFGMRDINFV-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)Nc1cccc(C(=O)O)c1)NCCCNCc1ccc(-c2ccccc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCAZMKAHPZWESR-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1ccc(CN)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIEMYIBJNTVPLE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)cc(Nc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUBVBIPDJNUAP-LLBNCCGJSA-N", "SMILES:CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cccc1c2)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJRDCQUZMGBAB-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBUAACUFPJCODX-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2ccccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPPFVYVYCRLUIG-UHFFFAOYSA-N", "SMILES:COc1ccn2c(=O)n(-c3cccc(-c4ccc(C(N)=O)c5[nH]c6cc(C(C)(C)O)ccc6c45)c3C)c(=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLQGJFYBNLPDI-UHFFFAOYSA-N", "SMILES:COc1cccn2c(=O)n(-c3cccc(-c4ccc(C(N)=O)c5[nH]c6cc(C(C)(C)O)ccc6c45)c3C)c(=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUUCBWJDNLSDEG-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2cc(Cl)ccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXHAROKPHMWUME-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXNKUCHUGAZVMO-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2c(F)cccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRBVGTPPFBYDKX-UHFFFAOYSA-N", "SMILES:Cc1c(-c2c(Cl)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKZXRTJEMMVZLT-UHFFFAOYSA-N", "SMILES:Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSDAEFMBLKJHB-OALUTQOASA-N", "SMILES:COc1cccc(CS(=O)(=O)Nc2c(F)cc(-c3cc4cnc(N[C@@H]5CNC[C@@H](F)C5)nc4n(C(C)C)c3=O)c(F)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDSOQZGJTZIQCG-SFTDATJTSA-N", "SMILES:CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)Cc3ccc(C#N)cc3)c(F)c2)nc2cnc(N[C@@H]3CNC[C@@H](F)C3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQNRMBKELRISE-MCZWQBSQSA-N", "SMILES:COCCN(C)[C@H]1CC[C@H](Nc2ncc3cc(-c4ccc(NS(=O)(=O)Cc5ccc(F)cc5)c(F)c4)c(=O)n(C(C)C)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRGJOFBTUDTEE-HCGLCNNCSA-N", "SMILES:CC(C)n1c(=O)c(-c2c(F)cc(NS(=O)(=O)Cc3ccc(F)cc3)cc2F)cc2cnc(N[C@H]3CC[C@H](N(C)C)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLGIVTZHPZFGOM-VXKWHMMOSA-N", "SMILES:Cc1ccc(CS(=O)(=O)Nc2ccc(-c3nc4cnc(N[C@@H]5CNC[C@@H](F)C5)nc4n(C(C)C)c3=O)cc2F)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCWTHWZZNIIJA-IYARVYRRSA-N", "SMILES:CC(C)n1c(=O)c(-c2cc(F)c(NS(=O)(=O)CC3(C(F)(F)F)CC3)c(F)c2)nc2cnc(N[C@H]3CC[C@H](N(C)C)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOMHCDHWWSVMY-JKSUJKDBSA-N", "SMILES:COc1ccc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOMHCDHWWSVMY-CVEARBPZSA-N", "SMILES:COc1ccc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDUBOUUIXINQQG-QMCVQRASSA-N", "SMILES:COc1ccc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4C[C@@H](C#N)[C@@H]4C)C3)[nH]n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNESSNYPFIJTKU-SPWCGHHHSA-N", "SMILES:Cc1ncc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4C[C@@H](C#N)[C@@H]4C)C3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXPDORMGAUHQH-MWSTZMHHSA-N", "SMILES:CCC(CO)CNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccc(OC)nc3)n[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOXKVIMEROOGG-TVFCKZIOSA-N", "SMILES:COc1ccc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)N[C@H]4CC[C@H](O)CC4)C3)[nH]n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFLDQYZGDCUKEF-UHFFFAOYSA-N", "SMILES:CN(c1nc2sc(-c3ncc(-c4cn[nH]c4)cc3O)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGDUABKDXVSWCN-BAUSSPIASA-N", "SMILES:C[C@H]1C[C@H](Oc2nc3sc(-c4ncc(-c5nnn(C)n5)c5cc[nH]c45)nc3s2)CCN1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSRENZVSAERRV-UHFFFAOYSA-N", "SMILES:CN(c1nc2sc(-c3ncc(-c4cn[nH]c4)nn3)nc2s1)C1CC(C)(C)NC(C)(C)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYNDIWAYYSEWAB-UHFFFAOYSA-N", "SMILES:CN(c1nc2sc(-c3cnc(-c4cn[nH]c4)c4[nH]ccc34)nc2s1)C1CCNCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDCKXUKCAUFMKL-UHFFFAOYSA-N", "SMILES:Cl.Cn1cc2cc(-c3nn4cc(C5CCNCC5)nc4s3)cc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXDTPFOOSSKQV-UHFFFAOYSA-N", "SMILES:Cc1cn2nc(-c3cn4cc(C5CCNCC5)nc4s3)cc(C)c2n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXLPYZCBOVVQK-JXFKEZNVSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)N[C@@H]1C(=O)NC[C@@H]1O"]}
{"name": "Apolipoprotein L1", "xref": ["CHEMBL.TARGET:CHEMBL4680021"], "id": "UniProtKB:O14791", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJPMVVYPNLGJLY-SFHVURJKSA-N", "SMILES:N#Cc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CCC(=O)N[C@H]2CCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNSULQUZIZBGE-UTKZUKDTSA-N", "SMILES:N#Cc1cc(F)cc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUZSXGJQLRGFIL-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(F)cccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCNCVPOHSMJCH-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2cc(F)c(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZALZTLCXBIYQS-NQIIRXRSSA-N", "SMILES:COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYWREGRUAINOE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPKYCQAWZHRGU-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQGRTUXRGBIUNG-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1C#CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTIJNQHAHBOPV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c(N2CCCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUEJTBCSKZGCPZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)c2ccc(CC3CC3)nc2N2CCCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJTKXBXYINEDCZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c(N2CCCC(F)(F)CC2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVOGNPUSMDKLLD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C3CC3)nc2N2CCCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKNGBHHNRLIRMP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)c2ccc(C3CC3)nc2N2CCCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDVCWFHFVMUHZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C3CCC3)nc2N2CCCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNHJUHDJAFYTC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)c2cc(CC3CC3)cnc2N2CCCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKLFIGPAONMKC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)c2cc(Cl)cnc2N2CCCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOPWRVNPBDYRC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)nc2N2CCCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTFDOWBRLNSDR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)nc2N2CCCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJMTUUUTYIYZMJ-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWWXBFOMGQCFB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)c2cc(OC(F)(F)F)cnc2N2CCCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWUDQJJPUXEKC-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIAUIJHTIFNYNU-UHFFFAOYSA-N", "SMILES:COC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BICRYTDMNDZQKM-UHFFFAOYSA-N", "SMILES:CC(C)(N)CN(CC1CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXKXVVBRBASOS-UHFFFAOYSA-N", "SMILES:CC(C)(N)CN(C1CC1)C1(c2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZLGOJRWYZRGA-UHFFFAOYSA-N", "SMILES:CC(C)(N)CN(C1CCC1)C1(c2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUPRKJGJNZLJC-UHFFFAOYSA-N", "SMILES:CCOC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZJBUTWUNKQMQ-UHFFFAOYSA-N", "SMILES:COC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(OC(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYWXIPGHUSHBK-UHFFFAOYSA-N", "SMILES:CC(C)(N)CN(C1(c2ccc(F)c(C(F)(F)F)c2)CC1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULAANWZTQNGIRR-LBPRGKRZSA-N", "SMILES:COC(=O)N(C[C@@H]1CCCN1)C1(c2ccc(F)c(OC(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSACBKBMELRLBA-CYBMUJFWSA-N", "SMILES:COC(=O)N(C[C@H]1CCCN1C)C1(c2ccc(F)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVOFLKTZUCOJLS-ZDUSSCGKSA-N", "SMILES:CCOC(=O)N(C[C@@H]1CCCN1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJEJPRVUJLKGAE-PBHRBXGSSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(CCN4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDSLVZMGDLJHY-PBHRBXGSSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(OCCN4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORXJAUBQRKOSP-RAEIRWBESA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCCCCN3CCN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPOGTJVZKIJFOH-OOAKFHKVSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(CN4CCN(CC5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYXNZWFRVLYAQ-GNDFOHGCSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC4(CCN(CCC5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWJZVLGTNXMPM-GNDFOHGCSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(CCN4CCC5(CC4)CCN(c4ccc6c(c4)CN(C4CCC(=O)NC4=O)C6=O)CC5)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOLQWHYZGQCTM-DKTPKOOQSA-N", "SMILES:COc1cc(N2CCN(CCC3CCN(c4ncc([C@@H]5c6[nH]c7ccccc7c6C[C@@H](C)N5CC(C)(C)F)cn4)CC3)CC2)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKSTADPBFKRTK-VZGKAOHESA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(CN4CCOC5(CC4)CCN(c4ccc6c(c4)CN(C4CCC(=O)NC4=O)C6=O)CC5)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRCKXZMRGJWXQI-GNDFOHGCSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(CCN4CCOC5(CC4)CCN(c4ccc6c(c4)CN(C4CCC(=O)NC4=O)C6=O)CC5)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFRXPTNFPOHCTQ-VZGKAOHESA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC4(CC3)CC(CN3CC5(CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)C3)C4)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCUOPSCISMUJK-IXGPZBLMSA-N", "SMILES:COc1cc(N2CCN(CC3CCN(c4ncc([C@@H]5c6[nH]c7ccccc7c6C[C@@H](C)N5CC(C)(C)F)cn4)CC3)CC2)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVQDCQVRYNZDBP-MPNICMQISA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(OC3CCC4(CC3)CCN(CC3CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC3)CC4)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMRITASCJFDAK-UHFFFAOYSA-N", "SMILES:COc1c(Oc2ccc(C(F)(F)F)c(C)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(OC(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJHUPNZTWXCAY-UHFFFAOYSA-N", "SMILES:COc1cc(OC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)c(C)c1C(=O)Nc1ccnc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFPFIYPOLSPLP-UHFFFAOYSA-N", "SMILES:COc1cc(OC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)c(Cl)c1C(=O)Nc1ccnc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJCGKNBSQFFOU-UHFFFAOYSA-N", "SMILES:COc1cc(OC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)c(Br)c1C(=O)Nc1ccnc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCIIXAIQTZAJL-UHFFFAOYSA-N", "SMILES:COc1c(Oc2ccc(Cl)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(OC(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLZFZNTUHCVLMN-UHFFFAOYSA-N", "SMILES:COc1c(Oc2cc(Cl)c(C)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(OC(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXUOQPRJFFUNP-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(C(N)=O)c2)c(F)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCRGRQWGLNVSK-UHFFFAOYSA-N", "SMILES:COc1c(Oc2cc(C(F)(F)F)c(C)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(OC(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTSCDRWPXHEDH-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(C(N)=O)c2)c(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APHKKFMONQEXNB-UHFFFAOYSA-N", "SMILES:COc1c(Oc2cc(C(F)(F)F)c(OC)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(OC(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNZJJSNMFVNRCI-UHFFFAOYSA-N", "SMILES:COc1c(Cl)cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(C(N)=O)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGXJMQFAMEXKW-UHFFFAOYSA-N", "SMILES:COc1cc(OC(F)(F)F)ccc1Oc1cc(OC)c(C(F)(F)F)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSAIVTGRIZCBMB-UHFFFAOYSA-N", "SMILES:CC1NCCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTPENZMBSHGLM-UHFFFAOYSA-N", "SMILES:C1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C2(CCOC2)NC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZOZBYWDUXCXAJ-UHFFFAOYSA-N", "SMILES:C1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C2(CCOCC2)NC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPFJMLDQYCJIIT-UHFFFAOYSA-N", "SMILES:CC1NCCC1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVZLFQFSZQJCN-UHFFFAOYSA-N", "SMILES:C1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZBJJROQIBXRI-UHFFFAOYSA-N", "SMILES:CC1C(c2cc3c(Nc4ccc5scnc5c4)c(F)cnc3s2)CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBOQSCEOFRXBH-WCBMZHEXSA-N", "SMILES:N[C@H]1CCN[C@@](CCCCB(O)O)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMTVASYYCLIRY-SLEUVZQESA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@H]1CCN[C@@](CCCCB(O)O)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLXALFMDGKVLJP-COPLHBTASA-N", "SMILES:CC[C@H](N)C(=O)N[C@H]1CCN[C@@](CCCCB(O)O)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURKOUVKKRCCNK-HEHGZKQESA-N", "SMILES:CC(C)C[C@H](N)C(=O)N[C@H]1CCN[C@@](CCCCB(O)O)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCJSJDICNIQRY-WFGGJUAMSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCN[C@@](CCCCB(O)O)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFODNJLMZNSJKU-HWWQOWPSSA-N", "SMILES:CC(C)(C)[C@H](N)C(=O)N[C@H]1CCN[C@@](CCCCB(O)O)(C(=O)O)C1"]}
{"name": "Arginase-2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL1795148"], "id": "UniProtKB:P78540", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXADUDDHAFXIG-BKMNWAGNSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\n(C)c2cccc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)n(C)c2cccc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGILSESIPXJNAD-DSERURCISA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\n(C)c2ccccc2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)n(C)c2cccc(CN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XECQFUSCVJJKNP-KEUPAEMYSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\n(C)c2ccccc2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)n(C)c2cccc(CN3CCCCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOUZBQVJGDPST-CEEYLBACSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\n(C)c2ccccc2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)n(C)c2cccc(CN3CCCCCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFHTDVQVBDZSD-USMQRZEUSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\n(C)c2ccccc2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)n(C)c2c(CO)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKUPTBAQAXCTCP-SLQYJNCFSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\n(C)c2ccccc2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)n(C)c2cccc(C(O)CO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUKYBZPOFBYCW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cccc(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJRGOGOHKYWQX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAVSBTYNRVHVFV-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccc(C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZESIUXHWDKGOKC-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccc(C(=O)Nc3cc4oc(N5CCOCC5)nc4cc3N3CCCCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMFXHNNDCFLTG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCCCC1)c1cccc(-c2cn[nH]c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNQYMPRUUSGOH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2oc(N3CCOCC3)nc2nc1N1CCCCC1)c1cccc(-c2cn[nH]c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDMIHIDXCRKPKM-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWTQNUCXXJOVNM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFAZQNXZNXJNI-KRWDZBQOSA-N", "SMILES:N[C@H]1CCN(c2cccc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPBDUXQIWYXZIW-KRWDZBQOSA-N", "SMILES:O=C(Nc1cc2oc(N3CCOCC3)nc2nc1N1CCCCC1)c1cccc(N2CC[C@H](O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCFVLZQXUUWQU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCCC3)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNTYFBQZDKVJT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCCC3)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBOTURLHQKUOS-HNNXBMFYSA-N", "SMILES:O=C(Nc1cc2oc(N3CCOCC3)nc2nc1N1CCCCC1)c1coc(N2CC[C@H](O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCWQTGLUTUNECO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3C3CC3)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOJOXJWXVSYTL-ZDUSSCGKSA-N", "SMILES:O=C(Nc1cc2oc(N3CCOCC3)nc2nc1C1CC1)c1coc(N2CC[C@H](O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXECBJUGQJREAN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCC(F)C3)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFSUSPPLIAMAMD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCC(O)CC3)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVNUCPUMXEUKZ-MRXNPFEDSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](N)C3)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXLAWCPTQRLVMN-UHFFFAOYSA-N", "SMILES:CCC1(O)CCCN(c2nc3nc(N4CCOCC4)oc3cc2NC(=O)c2coc(-c3ccnc(C)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRXLMTZSKNLAP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCC(F)CC3)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCABGOFXFXVFSM-MRXNPFEDSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](F)C3)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783351", "category": ["biolink:ChemicalEntity"], "name": "EMAVUSERTIB", "xref": ["InChIKey:SJHNWSAWWOAWJH-MRXNPFEDSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1"], "synonym": ["Emavusertib", "AU-4948", "CA-4948", "Emavusertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJHNWSAWWOAWJH-INIZCTEOSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@H](O)C3)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIMETUXCNDSLE-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccc(C(=O)Nc3cnc4nc(N5CCOCC5)oc4c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXTWHCDROGRNY-HZCBDIJESA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKINZODGXHKJJ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)N4CCCC4)c3F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFZQZATXCDMJU-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHNDJUQODCOFA-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDQEIZVLLDCOD-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMFWTNFQCYXRCL-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGNDUJPMMMICQ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3cn[nH]c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOWJTCSBNCGRMH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c3ncnc(N)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKFSUSXWMZJXDT-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQMPHCIYBWLGSO-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c3ncnc(N)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKSYNYWRVMBOI-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOXSRLFIMBYIRN-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLZQHMNLJFHHQH-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3F)c2F)c2ncnc(N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQPUQRQAVLTTAE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(NCCN(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYVKASWKZDQCL-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(NCCN)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODJSROVAWUHOPQ-MRXNPFEDSA-N", "SMILES:Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@@H]3CCCNC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODJSROVAWUHOPQ-INIZCTEOSA-N", "SMILES:Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CCCNC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUEVDUBSSBJDSP-BHQIMSFRSA-N", "SMILES:Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CC[C@H](N)CC3)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKWGGMMONQXROB-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALUYXQOXMHJMM-HDJSIYSDSA-N", "SMILES:N[C@H]1CC[C@H](Nc2ncnc3c(C(=O)Nc4c(Cl)ccc(NS(=O)(=O)c5cc(F)ccc5F)c4F)csc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSRGTUPOZUXOJ-BHQIMSFRSA-N", "SMILES:Cl.N[C@H]1CC[C@H](Nc2ncnc3c(C(=O)Nc4c(Cl)ccc(NS(=O)(=O)Cc5ccccc5)c4F)csc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPGUQYBXNJEQQ-HDJSIYSDSA-N", "SMILES:N[C@H]1CC[C@H](Nc2ncnc3c(C(=O)Nc4c(Cl)ccc(NS(=O)(=O)c5ccccc5Cl)c4F)csc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQRYKGBNYYGUAG-AFVIGRALSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANYCMDRNLSWURR-GOXBJCQQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLGYMZKUPGGWBZ-BWIAYAQTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZPOKXOOCMYOG-SYUAEKOOSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGDDLRQLMABOG-MHZLTWQESA-N", "SMILES:Cc1ncc(-c2ccn3ncc(-c4ccc5c(c4)[C@](C)(Cc4ccccc4)C(=O)N5)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWZJQTMIXIJENC-DEOSSOPVSA-N", "SMILES:Cc1ncc(-c2ccn3ncc(-c4ccc5c(c4)[C@](C)(CC4CC4)C(=O)N5)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQXCKWSIQSYSKN-QFIPXVFZSA-N", "SMILES:Cn1cnc2c(-c3ccc4c(c3)[C@](C)(Cc3ccccc3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEXQLSPJGFRUCV-IBGZPJMESA-N", "SMILES:Cn1cnc2c(-c3ccc4c(c3)[C@](C)(CC3CC3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXSDLKJLZQRLMC-VWLOTQADSA-N", "SMILES:CCn1ncc(-c2nc3c(-c4ccc5c(c4)[C@](C)(CC4CC4)C(=O)N5)ncnc3n2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDDKXFOTCDPZJB-DEOSSOPVSA-N", "SMILES:Cc1ncc(-c2nc3c(-c4ccc5c(c4)[C@](C)(CC4CC4)C(=O)N5)ncnc3n2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVOPNSVHHNOXSF-VWLOTQADSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(CC3CC3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFRRAJYYORCXFZ-NDEPHWFRSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(Cc3ccccc3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSJLFWJQRGTLPZ-NDEPHWFRSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(Cc3ccccc3)NC4=O)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZJSCCOXDJUBQU-MHZLTWQESA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(c3ccccc3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZBPFNSWMWABO-VWLOTQADSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(CC3COC3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBOIWZLZHJWHB-HHPDBAQJSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(CC3CCO3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWASZRLKXAUNIT-VWLOTQADSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(NC3CCC3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXTNSSBZJXRCGW-GKVSMKOHSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(N[C@H]3CCOC3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPKSVQWHCIYPDP-VWLOTQADSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(NCC(C)(C)F)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUJGGOGRNQRLD-DEOSSOPVSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(NCC(C)(F)F)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTNPBJDAYSSNL-SANMLTNESA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@](C)(N3CC(C)(OC)C3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJFRNUHOJJDBO-DEOSSOPVSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3cnc4c(c3)[C@](C)(NC3CCC3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOJUGTUREQCBQO-WNSKOXEYSA-N", "SMILES:Cc1ncc(-c2nc3c(-c4cnc5c(c4)[C@](C)(N[C@H]4CCOC4)C(=O)N5)ncnc3n2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBGHIHUAGXZAY-FYSMJZIKSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3cnc4c(c3)[C@](C)(N[C@H]3CCOC3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYXYTTPRFNUTKT-DEOSSOPVSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3cnc4c(c3)[C@](C)(NCC(C)(C)F)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSQZLIADJZUSV-VWLOTQADSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3cnc4c(c3)[C@](C)(N3CC(C)(OC)C3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTFPHVNLMKRBQU-SANMLTNESA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@@]3(CCCN3C(C)C)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTVZJQCTBUIDMC-SANMLTNESA-N", "SMILES:Cc1ncc(-c2nc3c(-c4ccc5c(c4)[C@@]4(CCCN4C(=O)C4CC4)C(=O)N5)ncnc3n2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIMJIXDSAJMYAI-MHZLTWQESA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@@]3(CCCN3C(=O)C3CC3)C(=O)N4)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEWWXGARXQJFP-MHZLTWQESA-N", "SMILES:Cc1ncc(-c2nc3c(-c4ccc5c(c4)[C@@]4(CCCN4C(=O)C4CC4)C(=O)N5C)ncnc3n2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRNOMAUJWZTHTM-NDEPHWFRSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)[C@@]3(CCCN3C(=O)C3CC3)C(=O)N4C)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWFZLPYQONOIGR-UHFFFAOYSA-N", "SMILES:O=S(=O)(N1CCC(Nc2ncnc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONTYEGURWWIAAP-UHFFFAOYSA-N", "SMILES:OCC(CO)(CO)COc1nc(NCc2cccc(C(F)(F)F)c2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMRAMJXPOJXMAC-UHFFFAOYSA-N", "SMILES:O=C(COc1nc(NCc2cccc(C(F)(F)F)c2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZYVKTYTOVGHO-UHFFFAOYSA-N", "SMILES:O=S(=O)(N1CCC(Nc2nc(O)nc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDHSWKNVJLCUNE-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOVFKSPARKKHK-UHFFFAOYSA-N", "SMILES:O=C(NC(CO)(CO)CO)c1ccc(S(=O)(=O)N2CCC(Nc3ncnc4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPEANQWBKFHKHO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(S(=O)(=O)N2CCC(Nc3ncnc4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWAZSYSEJWDRPE-UUROJUAVSA-N", "SMILES:O=C1[C@H](F)C[C@@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODUVOHEVDEWOL-KWYVSSJISA-N", "SMILES:N#Cc1ccc(CN2C(=O)[C@H](F)C[C@H]2C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRWYGZHXCYTTPG-ZGXDEKTJSA-N", "SMILES:N#CCCN1C(=O)[C@H](F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTPWZGVAVCPBKZ-FBROZUCGSA-N", "SMILES:O=C(O)CN1C(=O)[C@H](F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVIPALKYFKUPO-ZGXDEKTJSA-N", "SMILES:CC(C)N1C(=O)[C@H](F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDJZLHFYLDTXLV-OOICKAIWSA-N", "SMILES:CN1C(=O)[C@H](F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWQNFSBHLVEMAL-YZUZCNPQSA-N", "SMILES:CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAKUQEOIEAWDFB-VMIIQTFKSA-N", "SMILES:CN1C(=O)[C@@H](O)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGALPRYPWUIGZ-VRIJDZSUSA-N", "SMILES:CO[C@H]1C[C@@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDJZLHFYLDTXLV-VZMYYEGZSA-N", "SMILES:[2H]C([2H])([2H])N1C(=O)[C@H](F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDJZLHFYLDTXLV-NVZSFCNNSA-N", "SMILES:[2H]C([2H])([2H])N1C(=O)[C@@H](F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENBCEQAMCZVQL-LDWVGAECSA-N", "SMILES:[2H]C([2H])([2H])N1C(=O)C(F)(F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWSYBBGXBLWCW-WTEVXDJOSA-N", "SMILES:O=C1[C@H](F)C[C@@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)N1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NETWYXYMXZLUOG-QSGNWFJVSA-N", "SMILES:CC(C)(O)CN1C(=O)[C@H](F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPNXRSOXWLAIT-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRKMVHPBARKNMO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(-c3nccc(C(F)(F)F)n3)cc2C=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZUVKDSPDAHMB-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL281202", "category": ["biolink:ChemicalEntity"], "name": "CARVACROL", "xref": ["InChIKey:RECUKUPTGUEGMW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1O"], "synonym": ["2-hydroxy-p-cymene", "2-p-cymenol", "Antioxine", "Carvacrol", "Dentol", "Isopropyl-o-cresol", "Isothymol", "FEMA NO. 2245", "NSC-6188"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4800270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSDAYWILXQIQR-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)Nc2ccccc2O)c(C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILOLUUKYKCZRD-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)NCc2ccccn2)c(C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMDNRQNLNCQBM-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)NN)c(C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHXPQBXAGIJAZ-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)Nc2cnccn2)c(C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRXFWPAGFTVJGF-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)N2CCOCC2)c(C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSVFESALQWDIE-UXHICEINSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc([C@H]2C[C@@H]2NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKWZYDYSCQZPS-UHFFFAOYSA-N", "SMILES:C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSJWHWXROPOHCT-UHFFFAOYSA-N", "SMILES:C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQEFQNFTRHBLIF-UHFFFAOYSA-N", "SMILES:C#CCSc1cc(Sc2cnnn2-c2ccccc2)c2nnn(Cc3ccccc3Cl)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMDWVFDGITSML-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(CO)c1COc1ccc(OCC2CCNCC2)cc1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJOFVIHYKQOFIW-UHFFFAOYSA-N", "SMILES:CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQMYYOWBKUYQW-UHFFFAOYSA-N", "SMILES:CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBJJKAKHWAWLLV-HQGRHYPWSA-N", "SMILES:COc1ccc(CCCN[C@@H]2CCCC2CN[C@H]2CCC[C@@H]2CNCCCCN[C@@H]2CCC[C@H]2CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSOJSZXQRJGBCW-CABCVRRESA-N", "SMILES:N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYTLARZOLKJSJU-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CCCC(=O)Nc2ccc(C3CC3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBCBGWWMDONOP-ZXVKDQEOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CSCCOC(=O)C(C)(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"name": "Gap junction alpha-1 protein", "xref": ["CHEMBL.TARGET:CHEMBL4680024"], "id": "UniProtKB:P17302", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJPBATXWHREII-CIQFPPERSA-N", "SMILES:CCCC(=O)OCCSCCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTIHPWKKJUJKFQ-CNBFYSFZSA-N", "SMILES:CCCC(=O)OCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFDQVMAAFZEFS-SFAXGIHESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESWCLXTJOWSJX-YTWXDBGOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)CC)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRJFPQWIJRIID-KNKZVYFASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIOQDNOLXCJPGN-WNYVAQIMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHLDSHLDVTDMB-MUGJNUQGSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"name": "Acid-sensing ion channel 3", "xref": ["CHEMBL.TARGET:CHEMBL5757"], "id": "UniProtKB:O35240", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHSDPRMROWNQI-APGJSSKUSA-N", "SMILES:NC(=O)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJDBQXGFRZROR-WGEXWKLKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(C(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)CNC3=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC2=O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQULILBYBDCHGJ-NJPVNQSQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(=O)O)C(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCDGIOWKWWHIHU-HGZTYFEESA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJQPDEWVGKDRAL-CYKIZWSISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZJJGBITIQTNAT-RGHKMQLBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYOCUNKDACBLQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)c(F)c1)N1CCC(Nc2ncc3c(N4CCOCC4)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTAGBUIPLIEQID-JTQLQIEISA-N", "SMILES:COC(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(N)nc(C)nc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLRWUOFULIPURB-NSHDSACASA-N", "SMILES:Cc1nc(N)c(CCC2CCN(C(=O)[C@H](C)NC(=O)c3cnc(C)s3)CC2)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPTZLSWBARYOE-ZDUSSCGKSA-N", "SMILES:Cc1nc(Cl)nc(N)c1CCC1CCN(C(=O)[C@H](C)NC(=O)c2cn[nH]c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJLGBNQKFIHNGX-ZDUSSCGKSA-N", "SMILES:Cc1nc(C(F)(F)F)nc(N)c1CCC1CCN(C(=O)[C@H](C)NC(=O)c2ccnn2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNFORUESGOAET-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)c1ccn(C)n1)C(=O)N1CCC(CCc2c(N)nc(N)nc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHEQORXVQPCHAQ-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)C1CC1)C(=O)N1CCC(CCc2c(N)nc(N)nc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXOPLJKMWZGJTQ-SIWPFOTRSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CN)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVXQIBHMFEQPK-KIHPVRBWSA-N", "SMILES:CC1(C)C(=O)C(C#N)=C[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIVIFJSCGWLIIQ-DZUOILHNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(CCCc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBDAOBCFDZDSF-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1COc1cc(Cl)c2cc(CC(=O)O)sc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJWRLMFEUPVROI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2oc(SCc3ccc(Cl)cc3Cl)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLFULMSCHMTPHG-UHFFFAOYSA-N", "SMILES:CCCCCCCCN(C(C)=O)C(CNCc1ccccc1)c1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOMRTUHJQMZQD-UHFFFAOYSA-N", "SMILES:CCCCCCN(C(C)=O)C(CNCc1ccccc1)c1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXSDLFLQDLPKZ-SOAMZJECSA-N", "SMILES:CCCC[C@H]1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H](NC(=S)CNC)C(C)(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WODFTDUWTSIUTP-KLOKCGCJSA-N", "SMILES:CCCCCCC[C@](C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTNIFNHLYNQCE-YSSXYYCGSA-N", "SMILES:CCCCCCC[C@H](O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSRCLQHTMLCEV-CQJMVLFOSA-N", "SMILES:CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CN)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXGTXSNMNEJTE-CQJMVLFOSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CN)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGFLZYVUWGUUCD-MXAPAKLGSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](OC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEQWWMWMLLFKLT-HNNXBMFYSA-N", "SMILES:O=C(O)Cc1csc2cc(O[C@H]3CCc4ncccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHBLVQIWNQJLF-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCQGXYLXMBLPP-UHFFFAOYSA-N", "SMILES:Cc1nc2nonc2c(N)c1CN1CCC(OC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMOKRBTCSJWJN-UHFFFAOYSA-N", "SMILES:Cc1nc2nonc2c(N)c1Cn1ccc(-c2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZAGZJOGIKVNCE-UHFFFAOYSA-N", "SMILES:COc1cc(C(F)(F)F)ccc1Cc1c(C)nc2nonc2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSUJBAEJTXBRA-UHFFFAOYSA-N", "SMILES:Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBCPQADEJSPRV-PWSUYJOCSA-N", "SMILES:C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGFUBVEYGNBKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C)c3c(Nc4ccc(NC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cc4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYCCYVWZTVMCZ-UHFFFAOYSA-N", "SMILES:c1cc2cc(c1)Cn1cc(nn1)Cn1nc(-c3ccc(N4CCNCC4)nc3)c3cnc(nc31)NCc1cn(nn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOBFKXIKGHTPJB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2ncc3cnc(Nc4cnn(CCOC)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJAFDTZIMGDML-LGJNPRDNSA-N", "SMILES:COc1cc(/C=N/NC(=O)COc2nc(C)nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSNDESFUJYJZCD-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(F)cc2)c2ncnc(Nc3ccc(F)c(Cl)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYAZFPWBMCFBMU-UHFFFAOYSA-N", "SMILES:CCCc1cn(Cc2ccccc2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXONUZORFSMIL-WJDWOHSUSA-N", "SMILES:CC(C)=CCC/C(C)=C\\Cn1cc(COc2ccccc2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMZEOAYORKYFC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCn1cc(COc2ccccc2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOTJANDATSCTLM-UHFFFAOYSA-N", "SMILES:CCCCc1cn(Cc2ccc(Oc3ccc(Cl)cc3O)c(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOWYBLIPWAMIHM-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3040038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGXZSSDCDPCRF-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFJMPPHWWOWUFO-PZJWPPBQSA-N", "SMILES:c1ccc2c(c1)CCO[C@@]21CCC[C@H](NCC2CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282433", "category": ["biolink:ChemicalEntity"], "name": "DITOLYLGUANIDINE", "xref": ["InChIKey:OPNUROKCUBTKLF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=N)Nc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL100116", "category": ["biolink:ChemicalEntity"], "name": "PENTAZOCINE", "xref": ["InChIKey:VOKSWYLNZZRQPF-UHFFFAOYSA-N", "SMILES:CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C"], "synonym": ["Pentazocine", "Pentazocine", "Pentazocine", "Pentazocina", "Pentazocine", "Pentazocine", "Dl-pentazocine", "Pentazocine", "NIH-7958", "NSC-107430", "WIN 20,228", "WIN-20228", "Pentazocine", "Pentazocine", "Pentazocine civ"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4792455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOETUKRSCRQYLX-RBBKRZOGSA-N", "SMILES:CN(CC1CCCCC1)[C@H]1CCC[C@]2(C1)OCCc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHCISPOTDLLAG-RBBKRZOGSA-N", "SMILES:CN(Cc1ccccc1)[C@H]1CCC[C@]2(C1)OCCc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQNBUPOAUOHVIP-PZJWPPBQSA-N", "SMILES:c1ccc(CN[C@H]2CCC[C@]3(C2)OCCc2ccccc23)cc1"]}
{"name": "Sigma intracellular receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4105864"], "id": "UniProtKB:Q5U3Y7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL138083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDYSHNIVSNKMV-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL141209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOPPNNSPMKABZ-UHFFFAOYSA-N", "SMILES:COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTFODLFVYTBHS-YAIFJCAJSA-N", "SMILES:C[C@H](CCC(=O)Nc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429432", "category": ["biolink:ChemicalEntity"], "name": "URSOCHOLANIC ACID", "xref": ["InChIKey:RPKLZQLYODPWTM-LVVAJZGHSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4744151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJNMIBNOLBYBFA-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHJCVDZPYFXQY-NSHDSACASA-N", "SMILES:COC(=O)[C@@H]1CCCN1c1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVNXHPZKJNLTN-ZDUSSCGKSA-N", "SMILES:CCOC(=O)CC[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHWMHNUWYFWPL-LBPRGKRZSA-N", "SMILES:CCOC(=O)C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBYPZJTBOPUKQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMGILXYSTQQUHV-INIZCTEOSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccccc1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKPMFGFBADICO-INIZCTEOSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCCLOVOYJUOZKD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(CO)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTMQITXLXSPOI-GOSISDBHSA-N", "SMILES:CCOC(=O)[C@@H](Cc1cc2ccccc2[nH]1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPXUUWVCDDDOD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXIRCWPIAOKEJ-UHFFFAOYSA-N", "SMILES:CCCCC(Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCFLJSZVPXXPB-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(CC(C)C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDUBENOQRORRJX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXOCRVCSJKWMKA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWWOFJVMVLDYOC-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRZTSPFMIGIMD-VIFPVBQESA-N", "SMILES:C[C@H]1COC2(CCN(C(=O)c3sc4c([N+](=O)[O-])cc(C(F)(F)F)cc4[n+]3[O-])CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHBWDIIQQGYJCC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOBPZAXXONGGJS-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1825141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEIFNKAUNYNJU-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJQSQKPUXYCTND-UHFFFAOYSA-N", "SMILES:CN(C)CCc1ccc(-c2nc(N)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQMSZQRRWWHXPQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncc(C(=O)N(C)C)c(Nc3ccc(Cl)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBCVSLLTIRSIL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3794167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHLJXROBUJUPQ-UHFFFAOYSA-N", "SMILES:CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCOCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGRKKSAGJKMRY-UHFFFAOYSA-N", "SMILES:CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSILWVXKFRDCIL-UHFFFAOYSA-N", "SMILES:CNc1nc(OCCOC)nc2c1[nH]c(=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLTXCAGJAJFJJW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXPOSODBCCBORG-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LISXCQJNGAEFNA-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHFGHJNOUKLRFO-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVNZXTIUJUZTOU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2cc(OC)c(OCN3CCN(C)CC3)cc2c1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCMIDONTAXUOO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZMCFAREIXJKAF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1CCS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYASDMKYJPREGC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnccc1Nc1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOWINSNBQYCTH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2ccccc2c1Nc1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSSQBBWJMZYDLU-UHFFFAOYSA-N", "SMILES:COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYFVKUPRVQDAM-UHFFFAOYSA-N", "SMILES:CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCC(=O)N(C)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXPWACJIIZHGD-UHFFFAOYSA-N", "SMILES:CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCC(=O)NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAWCFZQRMUDEAE-UHFFFAOYSA-N", "SMILES:CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCN(C)C(=O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNCXVTVSMCLXFP-UHFFFAOYSA-N", "SMILES:CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCNC(=O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGGDEBFOQWGAK-UHFFFAOYSA-N", "SMILES:CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFWVGVUFJNORA-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc(C(C)c3ccccc3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONGUVGXZNLWDHM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3cc(-c4sc(C)nc4C)n[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGBHHDSOIOYML-SNVBAGLBSA-N", "SMILES:COc1ccc([C@@H](C)c2cc(-c3sc(C)nc3C)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGBHHDSOIOYML-JTQLQIEISA-N", "SMILES:COc1ccc([C@H](C)c2cc(-c3sc(C)nc3C)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWPVPSRHCERLN-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc(C3(c4ccccc4)CC3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAEGQXWWILYIST-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc(C(C)(C)c3ccccc3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLCSCOEVCWPBN-UHFFFAOYSA-N", "SMILES:CCC(c1ccccc1)c1cc(-c2sc(C)nc2C)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFWVGVUFJNORA-SNVBAGLBSA-N", "SMILES:Cc1nc(C)c(-c2cc([C@H](C)c3ccccc3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFWVGVUFJNORA-JTQLQIEISA-N", "SMILES:Cc1nc(C)c(-c2cc([C@@H](C)c3ccccc3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCQHEGVRWNLIPF-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc(Cc3ccc(-c4cnn(C)c4)cc3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJXQFKKCOUCJK-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc(Cc3ccc(-c4ccccc4)cc3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAOOKSMYZRFYPC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cc(-c3sc(C)nc3C)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQJUIGCHJWOHIB-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2sc(C)nc2C)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITJVCAWVSYYPSF-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc(Cc3ccccc3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIIDIAWWVXMGI-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc(CCc3ccccc3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABJPGNDORJFYMH-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc(CCCc3ccccc3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGQSDDCWNZKYSI-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc(-c3ccccc3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUYIJUAGSAJFL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(C)c(-c3cc[nH]n3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1343733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJOINCNMDWTFIA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1-c1cc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONJUFMPJFIAONQ-UHFFFAOYSA-N", "SMILES:CCc1nc(C)c(-c2cc[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRUSTFXUSPVPD-UHFFFAOYSA-N", "SMILES:Cc1ccn2c(-c3cc[nH]n3)c(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLABUTFVIDAMFH-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C)c(-c3cc[nH]n3)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQDQBOHKDZMTM-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cc[nH]n2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRAQYOKWILALQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMAHEQEXVNJNF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2cc(O)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTRTAUAQNIHBN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2c(O)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1486796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUZZGHIYZIXRE-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(C)=O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1532203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKNFVQNHIHCHEW-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(NC(C)=O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDZPXNDPBKKSZ-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NC(C)=O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2029515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYMHLPIWBXKKI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPZGAHUPXGKUDW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2cc(F)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1538954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVCKQTVKWZSELH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(Br)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRFOMUAUYIUFTD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2cc(Br)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCQXILHHRAEBLY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(Cl)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQRXWUFVFFUPL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWUPKDZBMOEELU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2cc(C(F)(F)F)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGSLDMQYARUFDJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(C#N)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XARDSBCDZPSYTN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYKFJDOJASDJSM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(C(N)=O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYNWWANNFXDUBS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWBAMNNPZLPNPV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(C)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDBLIUWHWYHVSB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2cc(C)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYZWBJLPINWTC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQQIMQYIVCDYKR-VHKIPXMSSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](N)CCCCNC(=O)CC[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"name": "Splicing factor 45", "xref": ["CHEMBL.TARGET:CHEMBL4680038"], "id": "UniProtKB:Q96I25", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLWXXLWVIVEYCT-YNAZAZDCSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEROQYLYAMGKKO-QTNLGDCPSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](N)CCCCNC(=O)CC[C@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYHQDGOBHHANOW-VHKIPXMSSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](N)CCCCNC(=O)CC[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFMJYVXJWALYBR-POWGMSTGSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](N)CCCCNC(=O)CC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKKHRXMLHIQAB-QBUABWOBSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](N)CCCCNC(=O)CC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBAYRRVPSUCTAN-YSXUEWBJSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H]1CCC(=O)NCCCC[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBEJWNHYTCGEIJ-DNBJQXJDSA-N", "SMILES:CN1CCCC[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTZIZXKVUNWOCA-NPHXRNIGSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](N)CCCCNC(=O)CC[C@H](C(=O)NC(CCCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTHRXIUTSUVNPH-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCNc1nc(N2CCCC2)nc2cc(OC)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDAXBZCRLISHC-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCCCCCN3CCCC3)nc(N3CCCC3)nc2cc1OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXOWQVFSXNYSJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCCCCCOC(=O)c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2417783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLIISZAGFGMDE-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1C(=O)NCCCCCNC(=O)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAZNTABYJYOAR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CC(=O)N(CCO)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBNGYXGCIUPHR-UHFFFAOYSA-N", "SMILES:O=C(CS)NCCCCCC(=O)Nc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMIDPYMXHVUIIM-ROUUACIJSA-N", "SMILES:O=C(NO)c1ccc(CN2c3ccccc3S(=O)(=O)C[C@@H]3CCCC[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXADRTUZWSITDT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c3c(c4ccccc42)S(=O)(=O)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZHXHXSGSKVTLC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2csc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTWSNIOCMRULQH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CS(=O)(=O)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRJCDFNDSLVBOP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)c(F)cn(C3CCCO3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFQAZZWXNIAWGV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULLJXKFRXICHS-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXMNXKFDTRMRKI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1csc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWUKPILSTXCSC-MASZBAQNSA-N", "SMILES:CC(/C=C/C(=O)NO)=C\\c1ccc(NS(=O)(=O)c2ccc(N(CCCl)CCCl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXMKYJAKNUUDF-VAWYXSNFSA-N", "SMILES:O=C(/C=C/c1cccn(CCCc2ccc3ccccc3c2)c1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAFMTZMOWYBUMQ-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NO)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJTXFLAWNMUEK-CQSZACIVSA-N", "SMILES:COC(=O)[C@@H](Cc1ccccn1)NC(=O)CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJTXFLAWNMUEK-AWEZNQCLSA-N", "SMILES:COC(=O)[C@H](Cc1ccccn1)NC(=O)CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1717890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVQBWSIGJFXLF-UHFFFAOYSA-N", "SMILES:O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXMDDKBLZLDDD-NRFANRHFSA-N", "SMILES:COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAASMGSVVAKSNP-QHCPKHFHSA-N", "SMILES:CCCCc1nc(COc2cccc([C@@H](CC(=O)O)C3CC3)c2)cnc1-c1cc(OC)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULGQLZCNJQSHT-MHZLTWQESA-N", "SMILES:COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2-c2cc(C)cc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYLWVVVEZCMZEJ-DEOSSOPVSA-N", "SMILES:COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2N2CC3(CCC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCCLBNNUYSQXLM-QHCPKHFHSA-N", "SMILES:COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2OCC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOLFEJUCBJJIIB-QHCPKHFHSA-N", "SMILES:COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTHLUKBDLHQQTK-QHCPKHFHSA-N", "SMILES:COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C=C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEANWAJDBGJJSW-QFIPXVFZSA-N", "SMILES:COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPNNZNQBXGKPGZ-DEOSSOPVSA-N", "SMILES:COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZZWYVXFVNTJG-QHCPKHFHSA-N", "SMILES:COc1ccc(F)c(-c2cnc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKYDVZZBAHFCGT-VWLOTQADSA-N", "SMILES:COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSECGFLGUSNJDA-SANMLTNESA-N", "SMILES:COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZMKZHCWGDOPI-VWLOTQADSA-N", "SMILES:COc1ccc(F)c(-c2cnc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTGAMLGBOIHAX-UHFFFAOYSA-N", "SMILES:CCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSEGDFMLRPWOHH-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1ccncc1"]}
{"name": "Inactive tyrosine-protein kinase PEAK1", "xref": ["CHEMBL.TARGET:CHEMBL3627585"], "id": "UniProtKB:Q9H792", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CICFKBGCTSMYPL-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVYSKMXHCGBBQU-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGBFUZSIOLRORF-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3c(Cl)ccc(F)c3Cl)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXBIXZHJSGDDFT-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3cccc(F)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBMRKNIYXGMRRJ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)c2ccc(-c3cccc(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOUGNLUUPLSUAG-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIZHAMTGCGYDF-CYBMUJFWSA-N", "SMILES:CNc1ncc(-c2cnn(C3CCNCC3)c2)cc1O[C@H](C)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLIWTAGOOQITEY-LLVKDONJSA-N", "SMILES:C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)nnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNTTYYPPFOKFB-LLVKDONJSA-N", "SMILES:C[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKWASNYQMHMNCC-UHFFFAOYSA-N", "SMILES:COc1ccccc1COc1cc(-c2cnn(C3CCNCC3)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUPDWJGZLBCCS-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWQZNXGFRZYBDM-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCWLUSDJEBAFQF-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKUNRIMLKKHCK-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKGOZZFXSKAQGO-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFWZDAKGNHQRX-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDOKUSQLKNOYIU-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUFDVUSZATXFHV-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNSKWUIYMLJLAJ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWSJXPZIFPFTK-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCDVJVGATFEACH-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UATVURLSDNUZMR-UHFFFAOYSA-N", "SMILES:Cn1cc(COc2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQOFNDQPDZZTEY-UHFFFAOYSA-N", "SMILES:Cn1cncc1COc1cc(-c2cnn(C3CCNCC3)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYBRWTJDDPPHCV-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBMSNBLEDENFC-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNKOSUUCJKPPW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVZIECLXHKGVJJ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OC(C(=O)O)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUTRAIFRJXUIET-UHFFFAOYSA-N", "SMILES:COC(=O)C(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADFAKZRNCLPGT-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OC(CO)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZSQAKDNRSCZOY-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMOIUCFGZMERCU-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1NCc1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKGVBWYZLAWGJ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQMGFUMIMWDXLI-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHHGAYSFILQDMW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1COc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIMARRKGAZWOD-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJSVSSSRRSTHBV-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLBYMNQUQVCEA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVFFOFRCGCUOB-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)c2ccc(-c3cccc(F)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLTOKYITZFKNAK-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKFZXEANTNEIKG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCn1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HERDOGZHIJKEBV-FXQIFTODSA-N", "SMILES:CC(=O)[C@@H](N)CN[C@@H](CN[C@@H](CC(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXYSOPAEGHVQN-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)cccc12"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 30", "xref": ["CHEMBL.TARGET:CHEMBL4523357"], "id": "UniProtKB:Q70CQ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJALYPZMAKFPSM-HNNXBMFYSA-N", "SMILES:CN(C(=O)[C@@H]1CCCN1C#N)c1nc(-c2cccc(C#N)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOZYUIQTTVFWDX-SANMLTNESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXYSOPAEGHVQN-SANMLTNESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXYSOPAEGHVQN-AREMUKBSSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPOQDBZOVZSJA-UHFFFAOYSA-N", "SMILES:CC(C)NS(=O)(=O)c1cccc2c(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJUSBGWWZTNAT-MHZLTWQESA-N", "SMILES:COc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBPUYFFSAJWAQM-MHZLTWQESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](CCc3ccccc3)NC(=O)c3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZLSUWWLUFMVPA-SANMLTNESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](CC3CCCCC3)NC(=O)c3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRQFZJZKMGOLOB-SANMLTNESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)cc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVAUWKFKBAPCIA-SANMLTNESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(F)cc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWZAUHLILQHSMS-MHZLTWQESA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDJZCIMPQMPOQ-MHZLTWQESA-N", "SMILES:COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTJKXUDQWWLEP-MHZLTWQESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(C#N)cc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZOBREFCPPFGFL-VWLOTQADSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccn3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYWPCSMLNHUBR-QFIPXVFZSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3nccs3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QECQIZIVMWVPGS-VWLOTQADSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)C3CCCC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQXORJHBZHLLTE-SANMLTNESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)C3CCCCC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGBELOYWPIXBO-VWLOTQADSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)C3CCC(F)(F)CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKVGRIIJDCZLIA-MHZLTWQESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)C3CCCCCC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGPMNVLPJZAAH-QHCPKHFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURMQKYPDNBFOT-QHCPKHFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCQVOODGJSTOAU-QHCPKHFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHPFMQPXSSELC-QHCPKHFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRIPFQIIIJUQE-QHCPKHFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJXXMREDATEFI-QHCPKHFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRZYXFMXOVWMCV-QHCPKHFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPXZOFSMMGDKC-QHCPKHFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPWDJGUZNVKTC-NRFANRHFSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cccs2)NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYBDLLAQLZPUFH-NRFANRHFSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cccs2)NC(=O)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQAUDTSRBDYRFB-QFIPXVFZSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccncc2)NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDVAHCPNCUOURG-QFIPXVFZSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHYPKBQLOHNHJ-QFIPXVFZSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccccn2)cc1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 30", "xref": ["CHEMBL.TARGET:CHEMBL4680032"], "id": "UniProtKB:Q3UN04", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIABAJXPGBPTF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(C)(C)c1c(N)nc(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFHXHGOVQUZDEY-UHFFFAOYSA-N", "SMILES:C=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEANPAFMPLRIQO-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(OC3CCNCC3)ccc2-c2ncnc(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWHJIHHTDSIYQK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWGGPUPRZZUMO-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KURXZGZYBDHSQZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nnc(-c2ccc(C(=O)O)cc2)o1"]}
{"name": "Cystic fibrosis transmembrane conductance regulator", "xref": ["CHEMBL.TARGET:CHEMBL3992"], "id": "UniProtKB:P34158", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSGXIXRNKAMHF-ZZXKWVIFSA-N", "SMILES:COc1ccc(OC)c(/C=C/C(=O)OCc2cc(=O)c(O)co2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQNWEYIQWAHYIJ-VOTSOKGWSA-N", "SMILES:COc1cccc(/C=C/C(=O)OCc2cc(=O)c(O)co2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUDWVYJMTRFOII-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]c(CN3CCN(c4cc(Cl)cc(Cl)c4)CC3)c(CN3CCN(c4cc(Cl)cc(Cl)c4)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSXCFTQGUIKGDC-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)Nc1nc2[nH]c(CN3CCN(Cc4ccc(F)cc4)CC3)c(CN3CCN(Cc4ccc(F)cc4)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRKGSODFACIQK-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)Nc1nc2[nH]c(CN3CCN(Cc4cccc(F)c4)CC3)c(CN3CCN(Cc4cccc(F)c4)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYBLXOLASEUMC-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)Nc1nc2[nH]c(CN3CCN(Cc4ccccc4F)CC3)c(CN3CCN(Cc4ccccc4F)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRALMKXJKVKMSA-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)Nc1nc2[nH]c(CN3CCN(Cc4ccccc4)CC3)c(CN3CCN(Cc4ccccc4)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEXURXCEUNSVJA-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(-c3ccccc3)n(-c3ccc(C#N)cc3)n2)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224157", "category": ["biolink:ChemicalEntity"], "name": "LANCEOLATIN B", "xref": ["InChIKey:NQNOTBRHBRJKKH-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2c1ccc1occc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL577397", "category": ["biolink:ChemicalEntity"], "name": "PONGAPIN", "xref": ["InChIKey:IGFBIJDAWSAJIF-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc3c(c2)OCO3)oc2c(ccc3occc32)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458131", "category": ["biolink:ChemicalEntity"], "name": "PONGAMOL", "xref": ["InChIKey:IHWPQGIYXJKCOV-PTNGSMBKSA-N", "SMILES:COc1c(C(=O)/C=C(\\O)c2ccccc2)ccc2occc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDMGZSIGYWKPZ-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(-c3ccccc3)nn2-c2ccccc2[N+](=O)[O-])ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULLUQBZTBYETK-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(-c3ccccc3)nn2-c2ccc(C#N)cc2)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL208484", "category": ["biolink:ChemicalEntity"], "name": "KARANJIN", "xref": ["InChIKey:LKPQNZRGGNOPPU-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL573847", "category": ["biolink:ChemicalEntity"], "name": "OVALITENONE", "xref": ["InChIKey:UGTDFAIKXQRVER-ZROIWOOFSA-N", "SMILES:COc1c(C(=O)/C=C(\\O)c2ccc3c(c2)OCO3)ccc2occc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPEBAAUPCCEJDT-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(O)c2)oc2c1ccc1occc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL583961", "category": ["biolink:ChemicalEntity"], "name": "PONGAGLABRONE", "xref": ["InChIKey:OLRNTGNFKYRPHW-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc3c(c2)OCO3)oc2c1ccc1occc12"], "chembl_natural_product": true}
{"name": "Cystathionine gamma-lyase", "xref": ["CHEMBL.TARGET:CHEMBL4680037"], "id": "UniProtKB:Q8VCN5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGYHPLMPMRKMPD-UHFFFAOYSA-N", "SMILES:C#CCC(N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4761159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSHODBELPZZPV-DTWKUNHWSA-N", "SMILES:COc1cccc2c1C(=O)C1=C(C[C@H](CC(=O)O)O[C@H]1C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1454910", "category": ["biolink:ChemicalEntity"], "name": "NITROXOLINE", "xref": ["InChIKey:RJIWZDNTCBHXAL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(O)c2ncccc12"], "synonym": ["Nitroxoline", "Nitroxoline", "Nitroxolina", "A-82", "NSC-74947"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4759091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIYAWDHZICEAC-UHFFFAOYSA-N", "SMILES:Cc1nc2c(N)nc(N)nc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1981644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLEAFADFRDXABW-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(N2CCN(C3=C(Cl)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNUJEHGUYLPRR-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSMXCNEKHURJO-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(NCCN2CCNCC2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHJBNEFEIDZZCN-UHFFFAOYSA-N", "SMILES:NC1=CC(=O)c2cccnc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGIFJNXSKZGKI-UHFFFAOYSA-N", "SMILES:NC1=C(Cl)C(=O)c2ncccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1735482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBBOHUCBTXJQY-UHFFFAOYSA-N", "SMILES:NC1=C(Br)C(=O)c2ncccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLWFXPZIFGWMIB-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(NCCCCCCNC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1988648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWPJKDMEZSVTP-UHFFFAOYSA-N", "SMILES:CC1OC2CC(=O)OC2C2=C1C(=O)c1c(O)cccc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4740853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWEKWMGFJIZVNQ-UHFFFAOYSA-N", "SMILES:CCNC1=CC(=O)c2ncccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1978705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REOQQQOHISDZHG-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2sc(Nc3ccc(Cl)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2001273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHZWGODIRRSRA-ARJAWSKDSA-N", "SMILES:O=CN/C=C\\c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4790519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKEJQRGDAIFUOJ-UWVJOHFNSA-N", "SMILES:O=C1C=C/C(=N/C2C(=O)c3ccccc3C(=O)C2Cl)C=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEYJQRSKDFRFA-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cc2ccc(NC3C(=O)c4ccccc4C(=O)C3Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNIYZPOKRGNVEA-UHFFFAOYSA-N", "SMILES:CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)C=C(C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1205573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKCWVPIWVNYKN-ATVHPVEESA-N", "SMILES:CC1=C/C(=C(\\c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)ccc(S(=O)(=O)O)c2Cl)C=C(C(=O)O)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4781645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQJHUBPRAPSRP-AQTBWJFISA-N", "SMILES:CC1=C/C(=C(\\c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)cccc2Cl)C=C(C(=O)O)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4754111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCHRSAVZQDSMPF-APVKTYTCSA-N", "SMILES:CO[C@@]12CC[C@@H](NCC(=O)NCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMICPWFXLJOEI-HKENPCLDSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)C(C)C)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMICPWFXLJOEI-AANUSGNESA-N", "SMILES:CO[C@@]12CC[C@H](N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)C(C)C)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVQMMOFQDNJHT-HAOCKTTRSA-N", "SMILES:CO[C@@]12CC[C@@H](NCCCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVQMMOFQDNJHT-MOSLHWROSA-N", "SMILES:CO[C@@]12CC[C@H](NCCCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVIWVBIKSGCPNJ-RERAUARKSA-N", "SMILES:CO[C@@]12CC[C@@H](NCCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVIWVBIKSGCPNJ-ZFGDZNOMSA-N", "SMILES:CO[C@@]12CC[C@H](NCCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPMICJYDSZBIT-AXENNSGJSA-N", "SMILES:CC[C@H](N[C@@H]1CC[C@@]2(OC)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPMICJYDSZBIT-YRBIGKLASA-N", "SMILES:CC[C@H](N[C@H]1CC[C@@]2(OC)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJPQLLOMWBEEN-ZCHKNENCSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@H](C(=O)O)C3CCCCC3)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJPQLLOMWBEEN-OVRAEGQKSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@H](C(=O)O)C3CCCCC3)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SILMEZJWWQTRJT-STVOXHSWSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@H](Cc3ccccc3)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SILMEZJWWQTRJT-MMUDNFAGSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@H](Cc3ccccc3)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHAMCDXTRRVPX-AVPDZUQNSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](C(=O)O)C(C)C)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHAMCDXTRRVPX-MMZHMKMLSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](C(=O)O)C(C)C)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDYOGHURRMOUMQ-DOQBYECHSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@H](C)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDYOGHURRMOUMQ-VGDGPHSYSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@H](C)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXIQVMSQGSVLL-UMYBCCRSSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](CCC(=O)O)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXIQVMSQGSVLL-GYQVKVEVSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](CCC(=O)O)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYBENXVWGLZEJ-YQSLKQGWSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](CC(=O)O)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYBENXVWGLZEJ-OXNBKUEFSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](CC(=O)O)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGGKSUESBGTAA-UMYBCCRSSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](CCC(N)=O)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGGKSUESBGTAA-GYQVKVEVSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](CCC(N)=O)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFNAJWMIIUIKO-YQSLKQGWSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](CC(N)=O)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFNAJWMIIUIKO-OXNBKUEFSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](CC(N)=O)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPAJEPLZUWCXEI-PGNOFCDOSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPAJEPLZUWCXEI-AXSFQXJPSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGUIZOWBNACNM-LLNQJMKISA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](Cc3ccc(O)cc3)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGUIZOWBNACNM-KTUZKFFASA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](Cc3ccc(O)cc3)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKIQDONKAOALDB-FDDRLWOQSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](CCCCN)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKIQDONKAOALDB-AOYIWLRISA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](CCCCN)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHAMCDXTRRVPX-SCROIHAFSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@H](C(=O)O)C(C)C)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHAMCDXTRRVPX-YDEISMOCSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@H](C(=O)O)C(C)C)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZFNAUKHJUKPH-MTOWIIDVSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](CO)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZFNAUKHJUKPH-IPYZYDJNSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](CO)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1739314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXMVOGQVUHPMCQ-OUBLWOLJSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NCC(=O)O)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1739313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXMVOGQVUHPMCQ-MENBUCELSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NCC(=O)O)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SILMEZJWWQTRJT-LLNQJMKISA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](Cc3ccccc3)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SILMEZJWWQTRJT-KTUZKFFASA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](Cc3ccccc3)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDYOGHURRMOUMQ-QYYSHDEWSA-N", "SMILES:CO[C@@]12CC[C@@H](N[C@@H](C)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDYOGHURRMOUMQ-SQFOFMOFSA-N", "SMILES:CO[C@@]12CC[C@H](N[C@@H](C)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JITPSJUABLLMAD-GCQGFVAMSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NCC(=O)O)CC[C@@]3(O)[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKUQEWICWSOTO-BSCZKGNESA-N", "SMILES:CO[C@@]12CC[C@H](NCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIDDJPMOSRHJG-XFKAJCMBSA-N", "SMILES:CO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTJYZPVDPLTCMY-ZRULNDGESA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccccc1)cn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCCCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZXGHGCCPEXHG-ZRULNDGESA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(F)cc1)cn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCCCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJLCZXCMKUVATQ-UBGMMPLISA-O", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)C2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCNP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3c[n+](Cc4ccccc4)c4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHHFCVPOYJMVAX-UBGMMPLISA-O", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)C2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCNP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3c[n+](Cc4ccc(F)cc4)c4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJFHXWRPUTHHX-QFHAHTJZSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccccc1)cn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHCILNNDGXFVJU-QFHAHTJZSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(F)cc1)cn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHOPAPJMWVYDOP-RSKHNBSDSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccccc1)cn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQWNEGPHPCBDF-RSKHNBSDSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(F)cc1)cn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVQLQQNGHYTOL-JIVXZRRKSA-N", "SMILES:COc1cc(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTXLFJKQHYGPM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCCOCCOCCOCCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSSZSMDFABHLI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMLFTESUTQGDRQ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXBXXLBOCJTKO-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPYNHFDWDPTJTL-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3nn(CC4CC4)c(N)c3C(N)=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZFIYRDDQFZUSY-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2ccc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYWTBMPAXSUAH-UHFFFAOYSA-N", "SMILES:CC(C)(CO)n1nc(-c2ccc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVAWEPDZOUOOD-UHFFFAOYSA-N", "SMILES:CC(C)(CCO)n1nc(-c2ccc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFAYCLCEYORKES-UHFFFAOYSA-N", "SMILES:CC(C)(CCO)n1nc(-c2ccc3nc(OC4CC4)ccc3c2)c(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACIRYYGVYGOFQP-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3nn(CC(C)(C)CO)c(N)c3C(N)=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNRPZBJSQCNRJE-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3nn(C(C)(C)CO)c(N)c3C(N)=O)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRPYWQYCRWMNIT-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3nn(C(C)(C)CCO)c(N)c3C(N)=O)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLDTBRPZMVWHD-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3nn(C(C)CCO)c(N)c3C(N)=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBDGZKOUKVZCPS-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3nn(C(C)CCO)c(N)c3C(N)=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKYKSFPZSGEXCP-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3nn(C(C)CCO)c(N)c3C(N)=O)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSBJROGGFIAEQR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(C3CCCN(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBIOZRUIGAIIAJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(C3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKERRXUBNFHMNA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKZSNIVWOHMJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CCN(C)C)cc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAORAYRLUYOWTM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CCN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZDAKAAKUZJHY-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)c(C)n4C)n2)cc1CN1CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUGAIQHFVZMFG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN5CC(O)C5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSASLBFVFUJZOD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFOKTFUTVBWAV-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cnn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)N(C)C)nn4C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOIYVOYKZHJJH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYLWDBQVWXUCN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ncn2ccc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCECFLWGHBWDSM-IRXDYDNUSA-N", "SMILES:CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc([C@@H]5C[C@H](O)CN5C)cn4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSNZEHCCRXNMBZ-WBVHZDCISA-N", "SMILES:CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc([C@@H]5C[C@@H](F)CN5C)cn4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDHJZXXNJZCJZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(F)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUMFBGPIRJTMM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(OC)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZMFSCYCVLYQR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMXGPIDCZRPRS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKKXZUFDFQHPC-UHFFFAOYSA-N", "SMILES:COC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLGWEJYKWKPFX-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2nn(C)c3ccc(Nc4nccc(-c5cc(CN(C)C)n(C)n5)n4)cc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAZNLQHSWVMGIW-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2nc(C)n3ccc(Nc4nccc(-c5cc(CN(C)C)n(C)n5)n4)cc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXYSQKNWMKEJL-UZKOGDIHSA-N", "SMILES:CCOC(=O)[C@@H]1CC[C@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXYSQKNWMKEJL-DWLFOUALSA-N", "SMILES:CCOC(=O)[C@H]1CC[C@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXYSQKNWMKEJL-KAGYGMCKSA-N", "SMILES:CCOC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXYSQKNWMKEJL-RCZSKKKRSA-N", "SMILES:CCOC(=O)[C@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQYAMKMLVIKMDX-IMFGXOCKSA-N", "SMILES:O=C(O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNHYLWRHHLTWJO-IMFGXOCKSA-N", "SMILES:NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBAKNTZJMPFBQQ-HHIQWLPESA-N", "SMILES:[2H]C([2H])([2H])NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVOSTSJRBASBA-XGADJEBGSA-N", "SMILES:[2H]C([2H])([2H])N(C(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C([2H])([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIPHIEGSKVZYLM-JCTONOIOSA-N", "SMILES:O=C([C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIBHGHHLPPPCJ-MKSOCRHZSA-N", "SMILES:O=C(NC1CC1(F)F)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCQJVASKZWHKBC-NHCICSSKSA-N", "SMILES:O=C(NC1CC(F)(F)C1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHDINUQADWLSR-QVAYSRPASA-N", "SMILES:O=C(NC1CCC(F)(F)C1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOXMPLAUHJMOF-QEYZDPKDSA-N", "SMILES:N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKINWNCLIYOJN-QEYZDPKDSA-N", "SMILES:O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKINWNCLIYOJN-PTAIDSQPSA-N", "SMILES:O=C(N[C@H]1C[C@H](O)C1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVFUOQAALBUMC-KAGYGMCKSA-N", "SMILES:O=C(NCCO)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPCUXSYTLLYOZ-PXDNOPAQSA-N", "SMILES:C[C@H](CO)NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPCUXSYTLLYOZ-WWFMAZNKSA-N", "SMILES:C[C@@H](CO)NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZGVNNSJDKHBA-PXDNOPAQSA-N", "SMILES:C[C@@H](O)CNC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZGVNNSJDKHBA-WWFMAZNKSA-N", "SMILES:C[C@H](O)CNC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWYVFCXUUIEWOX-IWLVTHKOSA-N", "SMILES:O=C(NC[C@H](O)C(F)(F)F)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYNFVEHOGUQHMA-NHCICSSKSA-N", "SMILES:CC(C)(O)CNC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLLZSBEJCDVBN-NHCICSSKSA-N", "SMILES:O=C(NCC1(O)CC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORQXNGSZJNUGB-JLRUASKGSA-N", "SMILES:O=C(NCC1(O)CCC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPRNDXXUCKHDZ-VIICAESSSA-N", "SMILES:O=C(NCC1(O)CCCC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOABHZKWEMDKAD-RWCIVJTCSA-N", "SMILES:O=C(NCC1(O)CCCCC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZKZSZQTDPWXFL-LIXHSBQKSA-N", "SMILES:CC(C)(O)C(C)(C)NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOOMDXSXMHFXMV-OYOVHJISSA-N", "SMILES:Cn1ccc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@@H](C#N)C4)c3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOOMDXSXMHFXMV-LDTOLXSISA-N", "SMILES:Cn1ccc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@H](C#N)C4)c3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSVAVWZJWQMCI-HJGJAMNPSA-N", "SMILES:N#CC[C@]1(n2cc(-c3nc(-c4cc[nH]n4)cn4nccc34)cn2)C[C@H](C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSVAVWZJWQMCI-XVDXERDNSA-N", "SMILES:N#CC[C@]1(n2cc(-c3nc(-c4cc[nH]n4)cn4nccc34)cn2)C[C@@H](C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOJZJBZTKOEDO-HJGJAMNPSA-N", "SMILES:N#CC[C@]1(n2cc(-c3nc(-c4cn[nH]c4)cn4nccc34)cn2)C[C@H](C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOJZJBZTKOEDO-XVDXERDNSA-N", "SMILES:N#CC[C@]1(n2cc(-c3nc(-c4cn[nH]c4)cn4nccc34)cn2)C[C@@H](C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAYRDAFVZIXKY-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n3ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWQWZIPMKNTLV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n3ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWIGSVNTPFWIS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEHWUWQKGKULM-UHFFFAOYSA-N", "SMILES:CCN1CC(CC#N)(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBYABPLOBJITK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CN(CC5CC5)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHZQEMKQOINPA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC(CC#N)(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXWSPOCMLYPCZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CN(CCO)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEJGQLBINOBMRS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CN(CC#N)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWKECFAYKXBQW-MOBUCQHHSA-N", "SMILES:CO[C@H]1C[C@@](CC#N)(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWKECFAYKXBQW-UKIBZPOASA-N", "SMILES:CO[C@H]1C[C@](CC#N)(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJISGLWXZJDHZ-GGYDESQDSA-N", "SMILES:Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@H](CC#N)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJISGLWXZJDHZ-WEHONNDLSA-N", "SMILES:Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@@H](CC#N)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLZTJWZDBFWDE-LDTOLXSISA-N", "SMILES:Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@H](C#N)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMJIRNQSAUOZKO-HEZKMHOLSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(Cc2c(CCCCC)cc(O)c([C@@H]3C=C(C)CC[C@H]3C(=C)C)c2O)c1O"], "chembl_natural_product": true}
{"name": "Heat sensitive channel TRPV3", "synonym": ["Transient receptor potential cation channel subfamily V member 3"], "xref": ["CHEMBL.TARGET:CHEMBL3879847"], "id": "UniProtKB:Q4QYD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRBAWVGZNJIROV-GOSISDBHSA-N", "SMILES:O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXMMTZJVHBCCE-UHFFFAOYSA-N", "SMILES:O=c1nc(OCCOc2cnccn2)cc2n1CCc1cc(CCc3ccccc3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRBAWVGZNJIROV-UHFFFAOYSA-N", "SMILES:O=c1nc(OCC2COCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPXEVMRXYMSCF-UHFFFAOYSA-N", "SMILES:CN(CC#Cc1ccc2c(c1)CCn1c-2cc(OCC2COCCO2)nc1=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYEJBVUGGUZHMQ-UHFFFAOYSA-N", "SMILES:CC(C)CC(O)C#Cc1ccc2c(c1)CCn1c-2cc(OCC2COCCO2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMMVXNAUFZNASV-UHFFFAOYSA-N", "SMILES:O=c1nc(OCC2COCCO2)cc2n1CCc1cc(CCc3ccccn3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJRYAOMRRMQDAV-UHFFFAOYSA-N", "SMILES:O=c1nc(OCC2COCCO2)cc2n1CCc1cc(COC3CCCC3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEYIADWBIYGSQO-UHFFFAOYSA-N", "SMILES:O=c1nc(OCC2COCCO2)cc2n1CCc1cc(NCc3ccco3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYGTUKDHOKEBC-UHFFFAOYSA-N", "SMILES:O=c1nc(OCC2COCCO2)cc2n1CCc1cc(C3CC3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFTGHRMNRSHWBL-UHFFFAOYSA-N", "SMILES:O=c1nc(OCC2COCCO2)cc2n1CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORXAYAFDPKCRK-UHFFFAOYSA-N", "SMILES:O=c1nc(OCC2COc3ncccc3O2)cc2n1CCc1cc(C#CC(O)c3ccccc3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMRQEAZLNSZOV-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OCC2COCCO2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQHCOKFDZQAES-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc2c(c1)CCn1c-2cc(OCC2COc3ccccc3O2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVZHRRFBROCGX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCn1c-2cc(OCC2COc3ncccc3O2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJJVNUBYRWHOAA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCn1c-2cc(OCC2COc3cccnc3O2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFSDWFPQICEMS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCn1c-2cc(OCC2COc3ccccc3O2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFLOTFVSWTXWOA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCn1c-2cc(OCC2COCCO2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGGCJRGMWINUAP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCn1c-2cc(OCC2CCCCO2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMHCYFREDYRTSZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCn1c-2cc(OCCOc2ccccc2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBBMTVUBHEEAI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCn1c-2cc(OCC2CCCO2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHKZSYUBQXTNKR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCn1c-2cc(OCc2ncccc2F)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYXPFVPRFXCPKG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-c1cc(OCc3ccccc3F)nc(=O)n1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZLXOQKSKXMYLF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCn1c-2cc(OCc2ccccc2F)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZYIACIGZCJNG-UHFFFAOYSA-N", "SMILES:O=c1nc(OCc2ccccc2F)cc2n1CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFPRIJHUREJAO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc(OCCOc3ccccn3)nc(=O)n1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMPWCPPOLSIOL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc(OCC3CCCO3)nc(=O)n1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYSFZDOQCLRCAP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc(OCc3ncccc3F)nc(=O)n1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXAMDRPQQZKNR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc(OCCOc3ccccc3)nc(=O)n1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNQDLXQEUCOKG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc(OCc3ccccc3F)nc(=O)n1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPGOEURQAFSRM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc(OCCc3ccccc3)nc(=O)n1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYQJQVOYIYPEIN-UHFFFAOYSA-N", "SMILES:CCCCCCOc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4795786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNRXYHGRBMHQIE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc(OCc3ccccc3)nc(=O)n1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1871173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJCFONZTYFDMR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc(NCc3ccccc3)nc(=O)n1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4088884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOZFGFKTXNHCLF-UHFFFAOYSA-N", "SMILES:Fc1cc(F)c2[nH]cc(Cc3c[nH]c4c(F)cc(F)cc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549658", "category": ["biolink:ChemicalEntity"], "name": "PF-06835919", "xref": ["InChIKey:MDUYWDNWFXSMJJ-XWLWVQCSSA-N", "SMILES:C[C@H]1CCN1c1nc(N2C[C@@H]3[C@@H](CC(=O)O)[C@@H]3C2)cc(C(F)(F)F)n1"], "synonym": ["Pf-06835919"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQPHSELWDGHVKK-WZCNTCIQSA-N", "SMILES:C[C@H]1[C@H](O)CN1c1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYWDILFDVCFJX-GMEDAVPMSA-N", "SMILES:C[C@H]1[C@H](O)CN1c1nc(N2C[C@@H]3[C@@H](CC(=O)O)[C@@H]3C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXXYODRCHXHTQ-HUBLWGQQSA-N", "SMILES:C[C@]1(O)CCN(c2nc(N3C[C@H](O)[C@@H](O)C3)cc(C(F)(F)F)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXXYODRCHXHTQ-ZOWXZIJZSA-N", "SMILES:C[C@]1(O)CCN(c2nc(N3C[C@@H](O)[C@@H](O)C3)cc(C(F)(F)F)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARCSJOAFSSBOB-FPQWWODTSA-N", "SMILES:C[C@H]1[C@H](O)CN1c1nc(N2C[C@@H](O)[C@@H](O)C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYXXSZANMHFDN-QTSITOFLSA-N", "SMILES:C[C@H]1[C@H](O)CN1c1nc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRDBPWNFULPMK-LADJIXMOSA-N", "SMILES:C[C@H]1[C@H](O)CN1c1nc(N2C[C@@H]3[C@@H](CC(=O)O)[C@@H]3C2)cc(C(F)(F)F)n1"]}
{"name": "Ketohexokinase", "xref": ["CHEMBL.TARGET:CHEMBL4105923"], "id": "UniProtKB:Q02974", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVNCNQGXBSLJG-CPJLOUKISA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@](C)(c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLZOGJZVWHWZJT-YLNUKYHNSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(N[C@H]3CCN(CCCF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWSWCRMTCQGGDJ-GYCJOSAFSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(N(C)C3CN(CCCF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZMMWVWLDOCLCK-CLYVBNDRSA-N", "SMILES:COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHRVYXBYSWELG-GYCJOSAFSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKYHDYFQPQGEOC-CMJOXMDJSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIGFTVCOVDMIC-MYYSRTQBSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cn2)N1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMJODAYGHYIAH-CPJLOUKISA-N", "SMILES:COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCYGLSQPCXNFG-MYYSRTQBSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBCTFVBWGUGKC-DXPJPUQTSA-N", "SMILES:COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKAPFCBLWCECBI-GYCJOSAFSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJZXOHCPDWISMV-GYCJOSAFSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(C)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMFNADUOOVZPG-QUGAMOGWSA-N", "SMILES:COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPLSZAVQYCVGQ-CLYVBNDRSA-N", "SMILES:COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBYNJGKPFJBPE-NSYGIPOTSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRUYVXJFVOSZEV-CLYVBNDRSA-N", "SMILES:COc1cc(OC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGWMCTXWIRQTOT-CLYVBNDRSA-N", "SMILES:COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTVPCLLBDRIIH-NSYGIPOTSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cn2)N1CC1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGPNQLJIEZDDHM-CLYVBNDRSA-N", "SMILES:COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPSAUQHMFDUBTB-GDJIYFAZSA-N", "SMILES:COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEVXNFHZSRMVFH-CLYVBNDRSA-N", "SMILES:COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCNMGHVEYTYJN-DXPJPUQTSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXESDNFFQIPNSO-YLNUKYHNSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(O[C@H]3CCN(CCCF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTRMJKQOUKCMMD-MIAKESKMSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(N(C)[C@H]3CCN(CCCF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVUZKCRFWNESKY-MWTRTKDXSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3(C)CN(CCCF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUTTWXCQFZTZSR-QRQCRPRQSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NCCNCCCF)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMVRHMVKAJIDE-QHCPKHFHSA-N", "SMILES:CC1(C)Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNKIFQRRDDJHKS-DEOSSOPVSA-N", "SMILES:CC1(C)Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPHIOPFHPLRGC-QUGAMOGWSA-N", "SMILES:COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMHSPVDIAHEXNT-NSYGIPOTSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXGOMHUKQAISL-OSPHWJPCSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NCCNCCCF)cn2)N1CC1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLXXBNRPTGQHBZ-DWXRJYCRSA-N", "SMILES:COc1cc(OCCNCCCF)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSOWDOULCGALK-DWXRJYCRSA-N", "SMILES:CC(C)CN1[C@H](c2ccc(OCCN3CC(CF)C3)cn2)c2ccc3[nH]ncc3c2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORDDIXHSVIQHGM-XHCCPWGMSA-N", "SMILES:CC(C)CN1[C@H](c2ccc(OCCN3CC(CF)C3)cc2)c2ccc3[nH]ncc3c2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOOAXKKPWJTKKV-CRYYWNKWSA-N", "SMILES:CC(C)CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2ccc3[nH]ncc3c2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFKRWPNMQSLPGF-WLRTZDKTSA-N", "SMILES:COc1cc(NC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)ccc1Cl"]}
{"name": "Inosine-5'-monophosphate dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL6145"], "id": "UniProtKB:Q8T6T2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5807"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDGYRLMYUQCESN-UUILKARUSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHBRTURECWDPC-UUILKARUSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPARNSDNLXIGLT-KPKJPENVSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)Nc1cccc(Cl)c1Cl)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEIJWCQHHWUHNK-YIXHJXPBSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)Nc1ccc(Cl)cc1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJTBISSTZHKHKQ-YIXHJXPBSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)Nc1ccc(F)cc1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLCZIGFLGPKWJH-YIXHJXPBSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSWDVKDZSZKCSP-LNKIKWGQSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)Nc1ccc(C#N)cc1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTOCDIIOYZLKO-LHHJGKSTSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)N(C)c1ccc(Cl)cc1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPYSTFFWLEEKI-MKMNVTDBSA-N", "SMILES:COc1c(C)c2c(c(OC)c1C/C=C(\\C)CCC(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEQNDXGYAJQEND-UHFFFAOYSA-N", "SMILES:COc1c(C)c2c(c(O)c1CCCCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUZODJMFSRENB-UHFFFAOYSA-N", "SMILES:COc1c(C)c2c(c(O)c1CCOCC(=O)Nc1ccc(Cl)cc1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIJVWKUAHOKDQ-UHFFFAOYSA-N", "SMILES:COc1c(C)c2c(c(O)c1CC(=O)Nc1ccc(Cl)cc1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGENHIWQQFTCNF-RZFZLAGVSA-N", "SMILES:COc1c(C)c2c(c(O)c1C[C@H]1C[C@]1(C)CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGENHIWQQFTCNF-YEBMWUKDSA-N", "SMILES:COc1c(C)c2c(c(O)c1C[C@@H]1C[C@@]1(C)CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWWATMWRMNMPI-HWKANZROSA-N", "SMILES:COc1c(C)c2c(c(O)c1C/C=C/C(=O)Nc1ccc(Cl)cc1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJUBVFDMDSVNT-UHFFFAOYSA-N", "SMILES:COc1c(C)c2c(c(O)c1CCCC(=O)Nc1ccc(Cl)cc1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJIVGJUSQHRON-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ccccc4Cl)cc3C(C)(C)C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMGSSYZDNYAASB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncccc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAWFVNIRSAYYCM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccn1)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADJXDCISBJQML-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc(C(F)(F)F)cc1F)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFHBHORXUZSAV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc(F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHOMZJUDICMLT-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc(Cl)cc1C(F)(F)F)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAPNPHRKZYIEID-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZGSYNNVPNLHQG-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVJXSYQDOMGPN-UHFFFAOYSA-N", "SMILES:CC1N(S(=O)(=O)c2ccc(F)cc2)c2ccc(NC(=O)c3cccnc3)cc2C12CCOCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDEJEQAGTXAQOD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C1(CCSCC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTKUCKWUZDEHZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C1(CCC(O)(C(F)(F)F)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYHWSHRLTXSMI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C1(CCC(O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZBULHLXXDUPOE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C1(CCS(=O)(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBHOZRQJCVMBM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C1(CC[S+]([O-])CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLIUTFVVQLNNM-UHFFFAOYSA-N", "SMILES:N=S1(=O)CCC2(CC1)c1cc(NC(=O)c3cccnc3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBXARKGMIBLEF-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ncccc3Cl)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPKPBVUVFCVKY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ccccc4Cl)cc3C3(CCN(C(C)=O)CC3)C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UASMEFJXHIESFN-UHFFFAOYSA-N", "SMILES:CC1N(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(=O)NCc3ccccc3Cl)cc2C12CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVYAGBATLGILC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(NC(=O)c3cccnc3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLRHKYGBNIMNQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(NC(=O)c3cccc(F)c3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLNXOIUZWPOPU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NC3(c4ccccc4Cl)CC3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERKEQHWOHIVBT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NC3(c4ccc(Cl)cc4)CC3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGBKIEKXNPAWLO-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccc(F)cc3Cl)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMVYRFOOILUJA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADIMLYDNRFSNCC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(S(=O)(=O)c1cccnc1)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKNLLIMQOXGCL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(Cc1ccc(F)cc1)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXUFLCMHKGEAV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPXCHXLAIMRBY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(S(=O)(=O)c1ccccc1)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTBPFIAIWJLJBW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNPZGSGOALNQKN-UHFFFAOYSA-N", "SMILES:C=CCC1N(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(=O)NCc3ccccc3Cl)cc2C12CCN(C(C)=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPKEHKIGWUONV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(F)cc1)c1ccc(C(=O)NCc3ccccc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOEVGYNBSQJEFD-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGNMJPRQSRKZJG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ccccc4Cl)cc3CC2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFTWTAHUDUFFGU-UHFFFAOYSA-N", "SMILES:CC1N(S(=O)(=O)c2ccccc2)c2ccc(C(=O)NCc3ccccc3Cl)cc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIXSVAQDBCBHSP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(S(C)(=O)=O)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFYIZHQXWPJJY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(C(=O)c1ccc(F)cc1)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFMQUGPIHSKAS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537788", "category": ["biolink:ChemicalEntity"], "name": "BAY-784", "xref": ["InChIKey:PZGSYNNVPNLHQG-SANMLTNESA-N", "SMILES:O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@H](C1CC1)N2S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200490", "category": ["biolink:ChemicalEntity"], "name": "CETRORELIX", "xref": ["InChIKey:SBNPWPIBESPSIF-MHWMIDJBSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O"], "synonym": ["Cetrorelix", "Cetrorelix", "Cetrorelix", "Cetrorelix", "Cetrorelix", "Cetrotide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1196613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUGJWBVZNWAIJ-UHFFFAOYSA-N", "SMILES:NC1CC1(F)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFVJHRWUMHINNO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(F)CC2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPFUDXNUSLKBE-UHFFFAOYSA-N", "SMILES:NC1CC1(F)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZXDKFYIFLKNO-UHFFFAOYSA-N", "SMILES:NC1CC1(F)c1ccc(S(F)(F)(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVYLPHSSJTUKP-UHFFFAOYSA-N", "SMILES:NC1(c2ccccc2)CC1(F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1193345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFLOJTVCOJNTJ-UHFFFAOYSA-N", "SMILES:NCC1CC1(F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1190691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTADHPUNQUNGFZ-UHFFFAOYSA-N", "SMILES:NC1CC1(F)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBMWAUALYWCIW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(F)CC2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAOSCFPRGAUHT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(F)CC2N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZSOKHKIONGRG-UHFFFAOYSA-N", "SMILES:NC1CC1(F)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQCIZCKDQSUHLJ-UHFFFAOYSA-N", "SMILES:NC1CC1(F)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCDCMZXHGXNID-UHFFFAOYSA-N", "SMILES:COC(=O)C1(c2ccccc2)CC1CNC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNROKPNOIDEHQP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)c(CO)c2)n2nc(C3(C(=O)NCC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYBQXFVTYXDNE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)c(CO)c2)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFOFHIWKDQRLMF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2)n2nc(C3(C(=O)NCC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEVNFRHGVNFOKO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHAHQMDSXAIIB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)O)c2CO)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDWOULMGWLSOV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)O)c2)n2nc(C3(C(=O)NCC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYSOYNIBRDCGSX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)O)c2)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWRVDILQNIVFBM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)c(CO)c2)n2nc(C3(C(=O)O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXMIHGISHDNHPG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZHZWDQSHKCEM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)c(CO)c2)n2nc(C3(C(=O)OCC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEPZMOPXCQOLW-ZDUSSCGKSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC[C@@H](C)CO)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEPZMOPXCQOLW-CYBMUJFWSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC[C@H](C)CO)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBJPYSMGMCNEFK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OCC(C)(C)O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBPRPFGIBBYCI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC4CCOCC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYLHWPPEKBIHBK-HNNXBMFYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)O[C@H]4CCOC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYLHWPPEKBIHBK-OAHLLOKOSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)O[C@@H]4CCOC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPOZXJGQOPRBW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC4COC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQKWWFLCPUDRG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC4CCCCCC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXQXDMUWJOWRNY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC4CCCCC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOTBFYXGYHEWBC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC4CCCC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCGRTLNDZNYHE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC4CCC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRAARMTYRYTGI-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)C1(c2nc3c(OC)ccc(-c4ccc5c(c4)COC5=O)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUUUHUYQTLUIDG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OCC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URNKXCKNSGNBEE-ZDUSSCGKSA-N", "SMILES:CC[C@H](C)OC(=O)C1(c2nc3c(OC)ccc(-c4ccc5c(c4)COC5=O)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URNKXCKNSGNBEE-CYBMUJFWSA-N", "SMILES:CC[C@@H](C)OC(=O)C1(c2nc3c(OC)ccc(-c4ccc5c(c4)COC5=O)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCDURIOODNZMM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC(C)(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNGLFCJIULNSC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISFPFYFKBDGMRO-UHFFFAOYSA-N", "SMILES:CCCOC(=O)C1(c2nc3c(OC)ccc(-c4ccc5c(c4)COC5=O)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLIDVRWFPTNJU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(c2nc3c(OC)ccc(-c4ccc5c(c4)COC5=O)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQAGRTZRSFTYGZ-UHFFFAOYSA-N", "SMILES:COC(=O)C1(c2nc3c(OC)ccc(-c4ccc5c(c4)COC5=O)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYAKJWKAYBIKC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)n2nc(C3(C(=O)OCC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MECIHDYZROETNA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)n2nc(C3(CCC(=O)O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNVCPEXHKMMROT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)n2nc(C3(CC(=O)O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDHKQUCZMKQJW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)n2nc(C3(C(=O)O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFQCJWPSZBRAS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)n2nc(C3(COC(=O)C(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWRPZIPXPPKKSN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)n2nc(C3(CCCO)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYBLNGSDAZUGH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)n2nc(C3(CCO)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISQATORZDJOLJP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)n2nc(C3(CO)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAYQDGUZZZOSNO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)NCC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPXHNNEZBHHFC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMRKMZTXDWKFG-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2ccc(OC)c3nc(C4(C(=O)NCC(C)C)CC4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJRRMDUYCUTQSU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2ccc(OC)c3nc(C4CC4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKIJCVRAYOJBFA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc3c2COC3=O)n2nc(C3(C(=O)NCC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGBJZTHWGMYMOZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc3c2COC3=O)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKDVFIIAMEFSQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2ccc(OC)c3nc(C4(C(=O)NCC(C)C)CC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPPWTRPCMMKCE-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2ccc(OC)c3nc(C4CC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEXLOWRGGDSCFW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)n2nc(C3(C(=O)NCC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGEYFNPXMVFDKR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWOFZWEQZLMPY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)CCC3=O)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGDJOTYUNWKJK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc3c2CCC3=O)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHUHRFYPOWOVFT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)C(=O)CC3)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSNFCVLRDLOBS-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1ccc(-c2ccc(OC)c3nc(C4CC4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTZCSFYRFXAEQ-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2ccc(OC)c3nc(C4CC4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPJCYUXAZIWTQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(C)=O)cc2)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNBACZJMSMRDS-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1cccc(-c2ccc(OC)c3nc(C4CC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDGSZOHEJZBAC-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cccc(-c2ccc(OC)c3nc(C4CC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKTXWSHVPSGHJA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKXZIARGENBWKB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(C)=O)c2)n2nc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYSMGPLHSJGLY-OAHLLOKOSA-N", "SMILES:CCN1CC2(CCN(CCc3cccc(F)c3)CC2)O[C@H](C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGPOQBHNCDHMW-UHFFFAOYSA-N", "SMILES:CN1CC2(CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPKTOXVMUIFBK-MRXNPFEDSA-N", "SMILES:C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPIQXLVCZPKMN-UHFFFAOYSA-N", "SMILES:CC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSCITFSPOLAGH-UHFFFAOYSA-N", "SMILES:CC1OC2(CCN(CCc3ccccc3)CC2)CN(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSPFRSAEHVDGL-UHFFFAOYSA-N", "SMILES:O=C1N(c2cccnc2C(F)(F)F)CC2(CCN(CCc3ccccc3F)CC2)OC12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSVBTLSIVBWMNF-UHFFFAOYSA-N", "SMILES:CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCBGIQXMBAMIY-CQSZACIVSA-N", "SMILES:CCN1CC2(CCN(CCc3ccc(F)cc3F)CC2)O[C@H](C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUAEDWJSLQAOZ-OAHLLOKOSA-N", "SMILES:CCN1CC2(CCN(CCc3ccc(F)cc3)CC2)O[C@H](C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZONYJDSRWDIH-OAHLLOKOSA-N", "SMILES:CCN1CC2(CCN(CCc3ccccc3F)CC2)O[C@H](C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASMRBRQNLMHLZ-MRXNPFEDSA-N", "SMILES:CCN1CC2(CCN(CCc3ccccc3)CC2)O[C@H](C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTWQPPIRZCEEN-UHFFFAOYSA-N", "SMILES:CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSGTKTUVCNJNZ-QGZVFWFLSA-N", "SMILES:CC[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASMRBRQNLMHLZ-UHFFFAOYSA-N", "SMILES:CCN1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXMYQZAEDKKWCL-UHFFFAOYSA-N", "SMILES:CC1OC2(CCN(CCc3ccccc3)CC2)CN(C(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALIKXMQWFLZKB-AWEZNQCLSA-N", "SMILES:CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@@H](C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLNLOYFCPCOIM-UHFFFAOYSA-N", "SMILES:CCN1CC2(CCN(CCc3ccccn3)CC2)OC2(CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVPWJVEUHXQCZ-CQSZACIVSA-N", "SMILES:CCN1CC2(CCN(CCc3c(F)cccc3F)CC2)O[C@H](C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALIKXMQWFLZKB-CQSZACIVSA-N", "SMILES:CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFPJQQSFFGKLC-CQSZACIVSA-N", "SMILES:CCN1CC2(CCN(CCc3cccc(F)c3F)CC2)O[C@H](C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJGQLRIBJPRBA-UHFFFAOYSA-N", "SMILES:CN1CC2(CCN(CCc3ccccc3)CC2)OC(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMZJEZKZKZSND-UHFFFAOYSA-N", "SMILES:CN1CC2(CCN(CCc3ccccc3)CC2)OC(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVVYSURPMNUFBQ-UHFFFAOYSA-N", "SMILES:CN1CC2(CCN(CCc3ccccc3)CC2)OCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHPEXFTPOUOLB-HNNXBMFYSA-N", "SMILES:C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHPEXFTPOUOLB-OAHLLOKOSA-N", "SMILES:C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMEKBOFUQAIQPI-UHFFFAOYSA-N", "SMILES:CC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHPEXFTPOUOLB-UHFFFAOYSA-N", "SMILES:CC1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPGXHRHNRYVDH-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBIWFQBOHPQSS-UHFFFAOYSA-N", "SMILES:COc1cc(CCO)cc2c(C)c(-c3ccc(O)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSIBBMSYFGAMOF-UHFFFAOYSA-N", "SMILES:COc1cc(CCO)cc2cc(-c3ccc(O)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTDHUEHZKAWHHV-UHFFFAOYSA-N", "SMILES:COc1cc2oc(-c3ccc(O)cc3)cc2cc1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMJHEAYYYPWDO-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVJGRPSJPRJNJ-AWEZNQCLSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)[C@H]1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZQYZQOGVYSKNL-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYAAQWLHIRCII-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLZYFEBXZVJFMV-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFFIWNDMVSTYGT-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNUHBOQEJLPLK-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUNZLYUFXYPJH-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WINMHXQNIIDEPT-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXDITCQCUWVEW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGOQOXWBUEYTK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYDKGKNEZTQLV-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2nc(-c3ccccn3)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGAAMMSVIUSAT-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFPJFVEQPRRJJ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)Cc1ccccc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJKEALCQGNGKZ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFAPBZPGRSCAZ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLOLXLQZQVQOB-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPQWLZYRFJSAFO-MDZDMXLPSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTFGFYGXBRSCPI-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZBCWWCAZDQFSC-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccn2)n[nH]1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQBCWWGOQNMJV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJWLXDMTIOTSV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2cccnc2)n[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNIQLYYOYYLSEW-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)n[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZCMWDVRZZTSF-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMIRMBSQNSGXBK-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)CNC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADWWAHSUFXKJFI-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJKNGSHMZNYUDQ-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSSVFKGJRBTBRJ-HNNXBMFYSA-N", "SMILES:C[C@](O)(Cn1cc(C#N)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYZMJXXOPVZLJ-ZDUSSCGKSA-N", "SMILES:C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDRMSDHDYRAUBR-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVXSFWKKHBQFN-ZDUSSCGKSA-N", "SMILES:C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJQLSUWWJJVCAJ-FQEVSTJZSA-N", "SMILES:C[C@](O)(Cn1cc(-c2ccc(N)cc2)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETQDHYSNYBDHH-UHFFFAOYSA-N", "SMILES:CC(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVYWGKRGMNOVSP-DEOSSOPVSA-N", "SMILES:C[C@](O)(Cn1cc(-c2ccc(C#CCCO)cc2)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFRSSNKSUVHGBY-FQEVSTJZSA-N", "SMILES:C[C@](O)(Cn1ccc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSSXYEYNLVCBJI-FQEVSTJZSA-N", "SMILES:C[C@](O)(Cn1cc(-c2ccc(F)cc2)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQDJYUUEVLDSX-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1ccc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNHYEPKKSSZIFG-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(C(F)(F)F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBMTWTXGUUKSS-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(Cl)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPINQEFVSVMLJX-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1ccc(F)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPXSCARXKBLUJZ-HNNXBMFYSA-N", "SMILES:C[C@@]1(Cn2cc(F)cn2)OC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHNMVHNHLVZFJ-FQEVSTJZSA-N", "SMILES:C[C@](O)(Cn1cc(-c2ccccc2)c(C#N)n1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYTGRTXXKARMOU-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(C#N)c(Br)n1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPODQJBJRELMH-HNNXBMFYSA-N", "SMILES:Cc1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKCFLBHEJXAVNN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)CCn2cc(F)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDRMSDHDYRAUBR-CQSZACIVSA-N", "SMILES:C[C@@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCXFZMGTMBVOSH-HNNXBMFYSA-N", "SMILES:C[C@](O)(Cn1cc(C#N)c(Br)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHURBUHMCKVEQV-LBPRGKRZSA-N", "SMILES:C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccnc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAMABGFESMAGK-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEGHONJHDMCQKI-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(Br)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUOEWJGEANLQY-INIZCTEOSA-N", "SMILES:C[C@@](Cn1cc(N)cn1)(OC(=O)CCl)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLFIPMYNFOOFOV-ZDUSSCGKSA-N", "SMILES:C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVKNQPNKFHJJL-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(Cl)c(Br)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQULOAWCGYSTO-FQEVSTJZSA-N", "SMILES:C[C@](O)(Cn1cc(-c2ccc(F)cc2)c(F)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIQQCFQNYOSCOI-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cc(C(F)(F)F)c(C#N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXXVPIPXOUJQCN-SFHVURJKSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMPHQUSORVAPU-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(C#N)cn1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJSHSOAKHMWTJT-ZDUSSCGKSA-N", "SMILES:C[C@](O)(Cn1cc(C(F)(F)F)cn1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218490", "category": ["biolink:ChemicalEntity"], "name": "DORZOLAMIDE", "xref": ["InChIKey:IAVUPMFITXYVAF-XPUUQOCRSA-N", "SMILES:CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21"], "synonym": ["Dorzolamide", "Dorzolamide", "Dorzolamide", "Dorzolamide", "Dorzolamida", "Dorzolamide", "Dorzolamide", "Dorzolamide, trans-(-)-", "Dorzant", "Trusopt"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4740742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEIRZRVFDIBKS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXEJFDURWZZNCJ-QFIPXVFZSA-N", "SMILES:COC(=O)Nc1ccc(-c2cnn(C[C@](C)(O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGHKAGADCYVQFE-VWLOTQADSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(-c2cnn(C[C@](C)(O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBZFACBSOTWNS-QFIPXVFZSA-N", "SMILES:C#Cc1ccc(-c2cnn(C[C@](C)(O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQOMKRKXSFTTPC-FQEVSTJZSA-N", "SMILES:C[C@](O)(Cn1ccc(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATWBZWKEXKJVIW-FQEVSTJZSA-N", "SMILES:C[C@](O)(Cn1cc(-c2ccccc2)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAKUYJASUOHOV-HNNXBMFYSA-N", "SMILES:Cc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDIGXZUZJMDBIM-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHGUKXNONEMAB-INIZCTEOSA-N", "SMILES:CC(=O)c1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWQKUDGVDYSRCA-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cc(I)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHLTTCHDQTCMP-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cccn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIHBNAPZVSKRKC-IBGZPJMESA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWXGLUCMNJCLM-HNNXBMFYSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSHCACLCUFPRJ-INIZCTEOSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVAXLVWGZFNSQX-SFHVURJKSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3cccc(F)c3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UURYPVBRRAPKHX-SFHVURJKSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(c2cc3cccc(F)c3[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQLEPXLTLHFPU-IBGZPJMESA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(c2cc3ccccc3[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYCCVBOWGPTSDN-NRFANRHFSA-N", "SMILES:CC(C)(C)CN1Cc2c(cc(Cl)c3[nH]ncc23)C[C@@H](CC(=O)N2CCC(c3cc4cccc(F)c4[nH]c3=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWQKNVVXAXIPEE-QFIPXVFZSA-N", "SMILES:CC(C)(C)CN1Cc2c(cc(Cl)c3[nH]ncc23)C[C@@H](CC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVICWJOQCVNZTD-FQEVSTJZSA-N", "SMILES:CC(C)(C)CN1Cc2c(cc(Cl)c3[nH]ncc23)C[C@@H](CC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGGZTXYNYSIPK-SFHVURJKSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRQKSYIKMABUQE-NRFANRHFSA-N", "SMILES:CC(C)(C)CN1Cc2c(cc(Cl)c3[nH]ncc23)C[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPMAPYXWIROABY-RUZDIDTESA-N", "SMILES:CC(C)(C)CN1Cc2c(cc(Cl)c3[nH]ncc23)C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXSAVXJKOFCCPJ-MUUNZHRXSA-N", "SMILES:O=C(N[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(Cc2ccccc2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTVWNGXHLHTPRF-AREMUKBSSA-N", "SMILES:CC(C)(C)CN1Cc2c(ccc3[nH]ncc23)C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNAJCJMZZGANMH-AREMUKBSSA-N", "SMILES:CC(C)CN1Cc2c(ccc3[nH]ncc23)C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZRCTRTYYHNFMY-RUZDIDTESA-N", "SMILES:CC(C)N1Cc2c(ccc3[nH]ncc23)C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQBRHJIDAIJRCV-HHHXNRCGSA-N", "SMILES:O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(C2CCNCC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBOVTLSMLAWMLR-MUUNZHRXSA-N", "SMILES:O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(CCN2CCOCC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVMOXPAMPTMCW-AREMUKBSSA-N", "SMILES:CN(C)CCN1Cc2c(ccc3[nH]ncc23)C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKAJWQGUTMRDRV-GDLZYMKVSA-N", "SMILES:O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(CCc2ccncc2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGLJKBAWOPAIF-MUUNZHRXSA-N", "SMILES:O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(Cc2ccncc2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNIHNZQNCVGJS-HSZRJFAPSA-N", "SMILES:CN1Cc2c(ccc3[nH]ncc23)C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMXOUYYCZLNRM-GDLZYMKVSA-N", "SMILES:O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(Cc2ccccc2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741924", "category": ["biolink:ChemicalEntity"], "name": "IPN-60090", "xref": ["InChIKey:GEHZIZWHNLQFAS-OAHLLOKOSA-N", "SMILES:CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1"], "synonym": ["Ipn 60090", "Ipn-60090", "IACS-6274", "IPN60090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COONWMQDDZPOJM-GOSISDBHSA-N", "SMILES:CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBJVXJTSXXWHJ-CQSZACIVSA-N", "SMILES:CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C(F)(F)F)cc(C)n3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYYPZVRDPNETHK-CQSZACIVSA-N", "SMILES:CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)ccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYSACTQVCXVSMV-CYBMUJFWSA-N", "SMILES:CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMYJCLXCVERJZ-CYBMUJFWSA-N", "SMILES:CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMYJCLXCVERJZ-ZDUSSCGKSA-N", "SMILES:CNC(=O)c1cn(C[C@@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHINPSCGZCGGOV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKEKAQIWWXNESW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)ccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUALMNZWHQWIDX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OCC(F)(F)F)ccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PESAWHFVOHIWKH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CCC4)ccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEFISUPCFAFKPA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGGUVIIDNDQUKL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccnc3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJJWABOFJIHGQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAACZELCAWEQFO-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTSYVYFHNMGMP-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKOBALEWVZUGO-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCCO)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBEBRCDTKPPWHA-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYEUJOBFYOFELD-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNZYMPNXMAXRNP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTWQKYFBHCTVCR-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQAOGHQLZAEPQI-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccn1)Nc1ccc(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWBHKCHXPSGLM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc(CCCCn2cc(C(=O)NCc3ccccc3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MREGZVYRKYDENT-QCUBGVIVSA-N", "SMILES:CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1.Cl.Cl"]}
{"name": "Glutaminase kidney isoform, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523110"], "id": "UniProtKB:D3Z7P3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZXHBMPYFPNQW-UHFFFAOYSA-N", "SMILES:Nc1cc(F)cc2c(=O)[nH]c(CCCN3CCN(c4ccc(F)cc4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQYXOQWRCKNII-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(CCCc3cc4c(N)cc(F)cc4c(=O)[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFNQJDEGHPCEJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(CCCc3cc4c(N)cccc4c(=O)[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTQHSPVFLJRRV-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(N2CCN(CCCc3cc4c(N)cc(F)cc4c(=O)[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRSVDVZPFIILV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(CCCc3cc4c(N)cc(F)cc4c(=O)[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQHSBQMZINJNST-HXUWFJFHSA-N", "SMILES:N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5c(N)cc(F)cc5c(=O)[nH]4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQHSBQMZINJNST-FQEVSTJZSA-N", "SMILES:N#Cc1ccc(N2CCN([C@@H]3C=C(c4cc5c(N)cc(F)cc5c(=O)[nH]4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYSWVENMUWDLDZ-HXUWFJFHSA-N", "SMILES:N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5c(N)cccc5c(=O)[nH]4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYSWVENMUWDLDZ-FQEVSTJZSA-N", "SMILES:N#Cc1ccc(N2CCN([C@@H]3C=C(c4cc5c(N)cccc5c(=O)[nH]4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXNBSKROWNMJJ-GOSISDBHSA-N", "SMILES:N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5c(N)cc(F)cc5c(=O)[nH]4)CC3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXNBSKROWNMJJ-SFHVURJKSA-N", "SMILES:N#Cc1ccc(N2CCN([C@@H]3C=C(c4cc5c(N)cc(F)cc5c(=O)[nH]4)CC3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQIULPFILPYJQ-HXUWFJFHSA-N", "SMILES:N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncc(F)cc5c(=O)[nH]4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXRCISZYORQBS-GOSISDBHSA-N", "SMILES:N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncccc5c(=O)[nH]4)CC3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBZXRLLZKUNIM-HXUWFJFHSA-N", "SMILES:N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncccc5c(=O)[nH]4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBFZHNCSGBLEK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cc2ccc(O)cc2)cn1"], "chembl_natural_product": true}
{"name": "Dopamine beta-hydroxylase", "xref": ["CHEMBL.TARGET:CHEMBL4702"], "id": "UniProtKB:P15101", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24510", "category": ["biolink:ChemicalEntity"], "name": "FUSARIC ACID", "xref": ["InChIKey:DGMPVYSXXIOGJY-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(C(=O)O)nc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL72628", "category": ["biolink:ChemicalEntity"], "name": "2-PICOLINIC ACID", "xref": ["InChIKey:SIOXPEMLGUPBBT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYUAOFMUDNWQRJ-OFWJPBPWSA-N", "SMILES:C[C@@H]1CC[C@H]2[C@H](C(=O)c3c(O)c([C@@]4(O)CC[C@@H](O)[C@H]5O[C@H]54)cn(O)c3=O)[C@H](C)C=C[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4765084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFLQCMDKBYZBJL-XFDICZTPSA-N", "SMILES:C[C@@H]1CC[C@H]2[C@H](C(=O)c3c4c(cn(O)c3=O)[C@@]3(O)CC[C@H](O)[C@H](O4)[C@@H]3O)[C@H](C)C=C[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4752675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLLKGPGZLQILJ-HKNVGMCVSA-N", "SMILES:CO[C@]1(c2cn(O)c(=O)c(C(=O)[C@H]3[C@@H]4CC[C@@H](C)C[C@H]4C=C[C@H]3C)c2O)CC[C@@H](O)[C@H]2O[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIEWBDAIEROLFK-YUMQZZPRSA-N", "SMILES:O=C(O)[C@H]1CCCC[C@@H]1c1c[nH]c(=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6623", "category": ["biolink:ChemicalEntity"], "name": "EPIBATIDINE", "xref": ["InChIKey:NLPRAJRHRHZCQQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2CC3CCC2N3)cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4791777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWSISOORXDCMX-YVUSRLDCSA-N", "SMILES:C/C=C1\\C2Cc3[nH]c(=O)ccc3C1(N)C[C@H](C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4759107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWRKOSRQYRCBHW-YIXHJXPBSA-N", "SMILES:C/C=C1\\C2C=C(C)CC1(NCC(=O)OC)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZGRHSRWTILCID-JRPNMDOOSA-N", "SMILES:C=C[C@H]1[C@@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4764904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOQTAOXNQUZKU-UHFFFAOYSA-N", "SMILES:C=CC1C2C=C(CO)CC1(N)c1ccc(=O)[nH]c1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNAOXZKMHHMJN-UHFFFAOYSA-N", "SMILES:C=CC1C2C=C(C)CC1(NC)c1ccc(=O)[nH]c1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4799324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEAPFIWYEJNONI-UHFFFAOYSA-N", "SMILES:O=c1ccc2c([nH]1)CC1C=C(CO)CC23NCCCC13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYWGABLTRMRUIT-XHBSWPGZSA-N", "SMILES:CC1=C[C@@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4794629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHDPLZQUDCFFLD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCc1c(C(=O)[O-])ccc[n+]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4756653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRZOJNGHZKBMD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCc1cc[n+](C)cc1C(=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4786519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXRBPUKBFSFJS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCc1ccc(C(=O)[O-])c[n+]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4752214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFTDVOKQJZAVLI-UHFFFAOYSA-N", "SMILES:O=c1c(O)ccc2n1CC1CNC2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4792387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRDBHMKTWECOV-INIZCTEOSA-N", "SMILES:CN1CCCC[C@H]1c1ccc(-c2cccnc2)nc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3640772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPPBXUYQGUQHE-JTQLQIEISA-N", "SMILES:C1=CC[C@@H](c2cccnc2)NC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4761823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPPBXUYQGUQHE-SNVBAGLBSA-N", "SMILES:C1=CC[C@H](c2cccnc2)NC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1496898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXSIJUGVMTTMU-SNVBAGLBSA-N", "SMILES:c1cncc([C@H]2CCCCN2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL350675", "category": ["biolink:ChemicalEntity"], "name": "TRIGONELLINE", "xref": ["InChIKey:WWNNZCOKKKDOPX-UHFFFAOYSA-N", "SMILES:C[n+]1cccc(C(=O)[O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4797832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCOKNQNHXUENBV-UHFFFAOYSA-L", "SMILES:O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.c1cc2c[n+](c1)CCCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFQMMVVVVOCUMV-UHFFFAOYSA-L", "SMILES:O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.c1cc2c[n+](c1)CCCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTDPNUYYKWWHRW-UHFFFAOYSA-L", "SMILES:O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.c1cc2c[n+](c1)CCCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCZLUMXVDSEEPE-UHFFFAOYSA-L", "SMILES:O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.c1cc2c[n+](c1)CCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLIGLTQMQAEUTH-UHFFFAOYSA-L", "SMILES:O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.c1cc2c[n+](c1)CCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWYPJNVNGDVPLJ-UHFFFAOYSA-L", "SMILES:O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.c1cc2c[n+](c1)CCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230982", "category": ["biolink:ChemicalEntity"], "name": "ANABASEINE", "xref": ["InChIKey:AUBPMADJYNSPOA-UHFFFAOYSA-N", "SMILES:c1cncc(C2=NCCCC2)c1"], "synonym": ["Anabaseine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4798977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AROVHWXXFTUQIL-QGZVFWFLSA-N", "SMILES:CCCCCCCCCCC[C@@H](O)CCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1173328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSWEKYNAOWQDF-UHFFFAOYSA-N", "SMILES:Cc1cccc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL193598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJIOGJUNALELMI-ONEGZZNKSA-N", "SMILES:C/C=C/c1ccc(O)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1276241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFLGBNBLMBSXEM-UHFFFAOYSA-N", "SMILES:CCc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1490403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBBPBRQALCEIZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(O)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3186900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHWNEIVBYREQRF-UHFFFAOYSA-N", "SMILES:CCc1ccc(O)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL108877", "category": ["biolink:ChemicalEntity"], "name": "2-CHLOROPHENOL", "xref": ["InChIKey:ISPYQTSUDJAMAB-UHFFFAOYSA-N", "SMILES:Oc1ccccc1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1232595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMSJEATGXXYPX-UHFFFAOYSA-N", "SMILES:C=Cc1ccc(O)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL492828", "category": ["biolink:ChemicalEntity"], "name": "ISOXANTHOHUMOL", "xref": ["InChIKey:YKGCBLWILMDSAV-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(CC=C(C)C)c2c1C(=O)CC(c1ccc(O)cc1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL590536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXNRISXYKZJTH-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)C(O)CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL460033", "category": ["biolink:ChemicalEntity"], "name": "XANTHORRIZOL", "xref": ["InChIKey:FKWGCEDRLNNZOZ-GFCCVEGCSA-N", "SMILES:CC(C)=CCC[C@@H](C)c1ccc(C)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1234616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPGDPNILDQYTO-NNYOXOHSSA-N", "SMILES:NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1"], "chembl_natural_product": true}
{"name": "Protein argonaute-2", "xref": ["CHEMBL.TARGET:CHEMBL4680043"], "id": "UniProtKB:Q9UKV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL338802", "category": ["biolink:ChemicalEntity"], "name": "SULFAGUANIDINE", "xref": ["InChIKey:BRBKOPJOKNSWSG-UHFFFAOYSA-N", "SMILES:N=C(N)NS(=O)(=O)c1ccc(N)cc1"], "synonym": ["Sulfaguanidine", "Sulfaguanidine", "Sulfaguanidine", "Sulfaguanidina", "NSC-14041", "Gppe susp fte", "Guanimycin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL485696", "category": ["biolink:ChemicalEntity"], "name": "SULFISOMIDINE", "xref": ["InChIKey:YZMCKZRAOLZXAZ-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1"], "synonym": ["Sulfaisodimidine", "Sulfisomidine", "Sulfisomidina"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL214393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJCXFVJDGTHFX-XVFCMESISA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4756345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URYXFEVCDJUASP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3c2C(c2ccccc2OC)N(c2ccc(-c4ccon4)cc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COLZIOZRCOOZDD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1n[nH]c2c1C(C1CCCCC1)N(c1ccc(-c3ccon3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLTNWKNATNMHJF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1n[nH]c2c1C(c1ccc(Cl)cc1)N(c1ccc(-c3ccon3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BONNKCHLICPOJX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1n[nH]c2c1C(c1cccc(Cl)c1)N(c1ccc(-c3ccon3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRHNSXSCRQGNR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1n[nH]c2c1C(c1ccccc1Cl)N(c1ccc(-c3ccon3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXTXFGRWDYYDV-UHFFFAOYSA-N", "SMILES:COc1ccc(C2c3c(C(C)(C)C)n[nH]c3C(=O)N2c2ccc(-c3ccon3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLMKXWHMSJYJZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C2c3c(C(C)(C)C)n[nH]c3C(=O)N2c2ccc(-c3ccon3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPOQCZZEGRIPRM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1n[nH]c2c1C(c1ccccc1)N(c1ccc(-c3ccon3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJKCCNQJHBRJOF-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGOXMOZNMBXYGP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C)c3c2C(C2CCCCC2)N(c2ccc(-c4ccon4)cc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHICKUSRNXTNF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3c2C(C2CCCCC2)N(c2ccc(-c4ccon4)cc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3679949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTWTVBWYWPXEPN-UHFFFAOYSA-N", "SMILES:CCc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3684611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIRNLYMFCQLQL-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDHCNCFXESDQGE-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARCGJZYSIGECIV-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2nnc(C)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBGNHLQDTRINMH-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2nc(C)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECFMUHWUSEHOI-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2noc(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3684614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHAQVIKMODEMM-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ncco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMNZFWIRFJLQR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cc(C)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGZHJVCAVPPWCO-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(C(=O)N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFGXQLRDFGKZEP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2C(=O)c3[nH]nc(C(C)(C)C)c3C2c2ccccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3679906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQIRBVQPHGRYRK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C(C)(C)C)c3C2c2ccccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQBCWIQZVRKIGU-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUVWMCGBEPFWOB-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(-c3cccnc3)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSFOCTCLFKQZCK-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(-c3ccco3)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSCICEGIDRAVIZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYNHNUIRZAEBR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZPICGJXBNQUTA-UHFFFAOYSA-N", "SMILES:CCCCc1n[nH]c2c1C(c1ccccc1OC)N(c1ccc(-c3ccon3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3679917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDHYUSDBHRABX-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(n[nH]c2CC(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3679909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCCXFFLJPHNRDB-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIBDHSJKSNXFS-UHFFFAOYSA-N", "SMILES:COc1cccc(C2c3c(C(C)(C)C)n[nH]c3C(=O)N2c2ccc(-c3ccon3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3684547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUILRNVCPMSUEG-UHFFFAOYSA-N", "SMILES:CN(C)c1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3679945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFOSBJIKHIBKKU-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3679944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULIBONXHNHSRK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1[nH]nc2c1C(c1ccccc1OCCO)N(c1ccc(-c3ccon3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCFGJCVZRSHRY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1n[nH]c2c1C(c1ccccc1OCCS(C)(=O)=O)N(c1ccc(-c3ccon3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3679880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPPBNXPYURTLBF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1[nH]nc2c1C(c1ccccc1OCC(=O)O)N(c1ccc(-c3ccon3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFUKKWTUFRERG-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(CCO)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHVSOARDFCKBS-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3684655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOGKKFFOPMFTH-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2c(n[nH]c2C(C)(CO)CO)C(=O)N1c1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJFSJAQJQNVOKX-UHFFFAOYSA-N", "SMILES:CC1Cc2ccccc2N1CC(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMALHFGGWXYUHY-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZJGEXMJBMQREH-UHFFFAOYSA-N", "SMILES:CC1Cc2ccccc2N1CC(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZTZWBOESPTHOA-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGSJULYBLEGFY-UHFFFAOYSA-N", "SMILES:Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELWVDXGWKTSSU-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)NCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKFLWKXSDDIKV-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTJKTGWGACFOJ-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXWIESZWHPGNR-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)Nc1cccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDJMQNHGXPKRL-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDCOWMSDVDUOO-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPQDEUULIGRPHF-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRIXGFCTRCLAY-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVULQCLNWNITMJ-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPDYSVLVMGRCCI-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWEPNMOOHUNVKC-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIYDQIQMOSYBMU-UHFFFAOYSA-N", "SMILES:CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQBBHNLKQFRRR-UHFFFAOYSA-N", "SMILES:CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGOUBIILQTVZLS-UHFFFAOYSA-N", "SMILES:COC1CN(C(=O)CCN2CCCc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGCBKQFUSCJOT-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHOIGSCXAHSRKT-HNNXBMFYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHOIGSCXAHSRKT-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)N1CCCC1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGWWFWAYIOOFO-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)N1CCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJWHESRYVASPCJ-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVVOMWYBLFQTG-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCGTKRNMJTXQP-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)N1CCCCC1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKEFSXQCBOSFFO-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCVMKKAPWXWHV-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKKWZMKWAJTKP-UHFFFAOYSA-N", "SMILES:CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKKWZMKWAJTKP-IYBDPMFKSA-N", "SMILES:C[C@@H]1CCC[C@H](C)N1C(=O)CCN1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQSJQCVYUUOTR-UHFFFAOYSA-N", "SMILES:CC1CCCCN1C(=O)CCN1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGBIADPEWMXGR-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCc2ccccc21)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4775999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMSRANMIWIKGJP-UHFFFAOYSA-N", "SMILES:CC1CCc2ccccc2N1CC(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNZBOJZTNHRAKJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALMOAGMQMTZRB-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCc2cnccc21)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCEUZVJNVIQHES-UHFFFAOYSA-N", "SMILES:CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKRDIKBVKXTNDO-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCc2ccccc21)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYYRAGLOTVMQRX-UHFFFAOYSA-N", "SMILES:CC1CCc2ccccc2N1CC(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URNAKSFKTWSPQG-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCc2ccc(O)cc21)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHZNJFNIFYHIB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTVBHGOZRGEJW-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCc2cnccc21)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMJUDFKGWCUES-UHFFFAOYSA-N", "SMILES:O=C(CN1CCc2ccc(F)cc21)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJQLPFDEKLKHR-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCc2ccccc21)Nc1ccc(O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLHEWKCUGKMBK-UHFFFAOYSA-N", "SMILES:CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYIMGFMRFVOMB-LDLOPFEMSA-N", "SMILES:COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnc3sc(-c4ccc(F)cc4)c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)C(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDNXWTWDPWCOC-GQCTYLIASA-N", "SMILES:Cc1nnn(Cc2cc(C(F)(F)F)ccc2/C=C/C(=O)N2CCC(c3nnc(C)o3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCFRZWASWYPAF-GQCTYLIASA-N", "SMILES:Cc1ncn(C2CCN(C(=O)/C=C/c3ccc(C(F)(F)F)cc3Cn3nnc(C)n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSXOBYXPHPCEM-GQCTYLIASA-N", "SMILES:Cc1noc(C2CCN(C(=O)/C=C/c3ccc(C(F)(F)F)cc3Cn3nnc(C)n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJXFHKMYJJHWOR-HWKANZROSA-N", "SMILES:Cc1nnn(Cc2cc(C(F)(F)F)ccc2/C=C/C(=O)N2CCC(C#N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFRPGGTZWLAEDU-HWKANZROSA-N", "SMILES:Cc1nnn(Cc2cc(C(F)(F)F)ccc2/C=C/C(=O)N2CCC(C(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRKMDGXHEBSTRX-GQCTYLIASA-N", "SMILES:Cc1nnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCC(Cc3ncc(C)o3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSUQKWCRLANIRC-GQCTYLIASA-N", "SMILES:Cc1nnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3coc(C)n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGCQPDPKUZTSU-GQCTYLIASA-N", "SMILES:Cc1nnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3cnn(C)c3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQHGNZXGUKDCY-GQCTYLIASA-N", "SMILES:Cc1cc(CN2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cn3nnc(C)n3)CC2=O)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJJYSFTWLXASEO-GQCTYLIASA-N", "SMILES:Cc1cc(CN2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cn3nnc(C)n3)CC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQTRFEYTVDZWMO-XBXARRHUSA-N", "SMILES:COc1ccc(CN2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cn3nnc(C)n3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOMOEAFYGULSG-GQCTYLIASA-N", "SMILES:Cc1nnn(Cc2cc(C(F)(F)F)ccc2/C=C/C(=O)N2CCC(c3noc(C)n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIHDDUMXQSQSN-HWKANZROSA-N", "SMILES:Cc1nnn(Cc2cc(C(F)(F)F)ccc2/C=C/C(=O)N2CCC(Cl)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFQXNZVVJQIAX-GQCTYLIASA-N", "SMILES:Cc1nnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCC(Cc3nnc(C)o3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWHQZXXNFSNYQL-UXBLZVDNSA-N", "SMILES:COc1ccc(CN2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cn3nnc(C)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVBFNSZQGFIAMU-WEVVVXLNSA-N", "SMILES:Cc1nnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMNOETGIZBZDHS-WEVVVXLNSA-N", "SMILES:Cc1nnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVDPWLLSIMCFHH-FVOPLDGLSA-N", "SMILES:Cc1nnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCNC[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRAUKQXGYGDEHN-QGZVFWFLSA-N", "SMILES:Cc1nnn(Cc2cc(Cl)ccc2CCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYCFCVPJBWJQIK-DKISHCGFSA-N", "SMILES:Cc1noc(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEYVSHDTRPKQR-ZAOIQFLMSA-N", "SMILES:Cc1cnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCGQGGXPQSSBTO-HFTQHKIXSA-N", "SMILES:C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1Cn1ncnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLIOCMTERNIPD-DKISHCGFSA-N", "SMILES:Cc1nnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMASINQRWPFYHL-UHFFFAOYSA-N", "SMILES:O=c1c(Cc2ccc(O)c(O)c2)coc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMJBEKFNUDZZMP-UHFFFAOYSA-N", "SMILES:Oc1ccc(CC2COc3ccccc3C2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYLSTZCBOLAFW-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)OCC(Cc1ccc(O)c(O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISEWJUFUPBFYNZ-YVMONPNESA-N", "SMILES:O=C1NC(=S)N/C1=C\\c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIIDHJDIIPZAEZ-YVMONPNESA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(F)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOXQATRWTOASQM-BGGQUWMZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2c[nH]cn2)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATNWGKOENXGGGG-HNGSJGSVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4753511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYJHELKTYHZNG-UHFFFAOYSA-N", "SMILES:CC(C)n1nc2c(c1-c1ccc(F)cc1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJKEVLEUPKOLX-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRSWZAPAEZRNQN-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVQAAZMSXUAOW-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2c3c(nn2C2CC2)CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAIETRSPXZRRR-UHFFFAOYSA-N", "SMILES:CC(C)n1nc2c(c1-c1ccc(Cl)cc1Cl)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJCZPQWTIPYDFG-UHFFFAOYSA-N", "SMILES:CC(C)n1nc2c(c1-c1ccc(Cl)c(Cl)c1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMVPOQERUVJGV-UHFFFAOYSA-N", "SMILES:CC(C)n1nc2c(c1-c1ccc(OC(F)(F)F)cc1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWKKNKEWFFTPO-UHFFFAOYSA-N", "SMILES:CC(C)n1nc2c(c1-c1ccc(C(F)(F)F)cc1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBWPBGEFFIVCW-UHFFFAOYSA-N", "SMILES:CC(C)n1nc2c(c1-c1ccc(C#N)cc1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSAFPPQZQQQNGU-UHFFFAOYSA-N", "SMILES:CC(C)n1nc2c(c1-c1ccc(Cl)cc1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFAGGJZWKFFGLM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLFYDDVREGSNQJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXOUMFAGXNVEAJ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2c3c(nn2-c2ccccc2)CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONWFBIBXNRUKS-UHFFFAOYSA-N", "SMILES:c1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXRCFWUSGNDEEG-UHFFFAOYSA-N", "SMILES:c1ccc(-c2c3c(nn2C2CC2)CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBDVPYNNCFDNT-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc2c(c1-c1ccccc1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRBLSMXVKIFRV-UHFFFAOYSA-N", "SMILES:CC(C)n1nc2c(c1-c1ccccc1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPBXUNGNIREQX-UHFFFAOYSA-N", "SMILES:CCn1nc2c(c1-c1ccccc1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205783", "category": ["biolink:ChemicalEntity"], "name": "JNJ-18038683 FREE BASE", "xref": ["InChIKey:UKJPMZGILXATGT-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nn(Cc3ccccc3)c3c2CCNCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSRQZDANZDRJOA-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYLBMSHZRRWSRM-FALOATQWSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKMVUTYRNAGOV-UHFFFAOYSA-N", "SMILES:NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1995718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCMQLIPWNDLWDB-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2ccccc2n2c(SC)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBEUIVPLCISBPO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2n2c(=S)[nH]nc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGHJDLASPDNFI-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1396239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTEKNXCWZXDPEY-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2ccccc2n2c(S)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1478489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOAFKCJEEQOECV-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2ccccc2n2c(S)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1310492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NURBAHNZLYZFMA-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2ccccc2n2c(S)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1412746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOCBHSHCCGTRNO-UHFFFAOYSA-N", "SMILES:CCCCCn1c(=O)c2ccccc2n2c(S)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1537130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNKKHCCJLPULM-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(=O)c2ccccc2n2c(S)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOSRXVROQPHNY-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2ccccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEKJJYKFVXFNPQ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2n2c(=S)[nH]nc2n1CCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1435590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOFGESTKFLRBZ-UHFFFAOYSA-N", "SMILES:COCCCn1c(=O)c2ccccc2n2c(S)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1606561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWTGZWFZSRRECN-UHFFFAOYSA-N", "SMILES:CCOCCCn1c(=O)c2ccccc2n2c(S)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKEXPVMSHBWSQE-UHFFFAOYSA-N", "SMILES:CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATBHHZNVXTYJO-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTNJZLAIQFDOY-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)CCn1c(=O)c2ccccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1595610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLZLSOAYWCNFDM-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2c(=O)c3ccccc3n3c(S)nnc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYNRKLWHMUQSO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2n2c(=S)[nH]nc2n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJIIJHDNOJRNIC-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2ccccc2n2c(=S)n(CN(C)C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVXSSVHBIIKPE-UHFFFAOYSA-N", "SMILES:CCCN(C)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIZPROBUTYPMHD-UHFFFAOYSA-N", "SMILES:CCCN(C)Cn1nc2n(CCC)c(=O)c3ccccc3n2c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNBJMHHTGWDMBW-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2ccccc2n2c(=S)n(CN(CC)CC3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVRMPWRONITRC-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJBEZPPFIPGTF-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Br)ccc2n2c(=S)[nH]nc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMIJZVLKIKAQJ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(I)ccc2n2c(=S)[nH]nc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNEWVHKRNDFJCE-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXOJSKLCQUJIFR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIFZPYEFYGDGH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(c1)c(=O)n(CCc1ccccc1)c1n[nH]c(=S)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZDUPSXPEXBPQQ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(N3CCOCC3)ccc2n2c(=S)[nH]nc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARXNISBPPXAEET-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(F)cc2n2c(=S)[nH]nc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFFIIRYUDXYSJ-UHFFFAOYSA-N", "SMILES:O=c1c2cccc(F)c2n2c(=S)[nH]nc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNXSVXQBBSODJB-UHFFFAOYSA-N", "SMILES:O=c1c2ncccc2n2c(=S)[nH]nc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBAQEJPOKUWAO-UHFFFAOYSA-N", "SMILES:O=c1c2ccncc2n2c(=S)[nH]nc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQVFVYPOJDIQNU-UHFFFAOYSA-N", "SMILES:O=c1c2cccnc2n2c(=S)[nH]nc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIGACJGWPVPHBB-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYISAUWEDGFCH-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJVZTMGWRDKKD-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2cc(Cl)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGSZPKQZLHMCL-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2n2c(=S)[nH]nc2n1CCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVTWTZOKDBSJM-UHFFFAOYSA-N", "SMILES:CC(C)OCCCn1c(=O)c2cc(Cl)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCCDPANCNAOECG-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)CCn1c(=O)c2cc(Cl)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPXAZSSKPXNTRH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(=O)n(CCC(=O)NC(C)C)c1n[nH]c(=S)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOYITQVZRJHGZ-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGRKHKTYDCKHH-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGIGRMBINVXCT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZIUCSCTPUEMS-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICNXHKBTCLSKNU-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLVCCQCJZYYBX-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPWWWIXOIQUCN-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGOPLEZJCSAANI-UHFFFAOYSA-N", "SMILES:NCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJVKMIZOPMZUQR-UHFFFAOYSA-N", "SMILES:NCCCn1c(=O)c2cccc(F)c2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITFZJFPHTIDQPE-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLABLVENJUGHC-UHFFFAOYSA-N", "SMILES:CC(CN(C)C)n1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFZWMMMZSQJIJZ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXWQNVFPVCGCV-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCMTSCTMOZUIS-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJJUWPYFFRPMAK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJQYWGBXSGTJP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUNLJXBRLDWKB-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBBHMDUYGKSPSI-UHFFFAOYSA-N", "SMILES:CCOP(=O)(CCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCQGUZQMVXNPT-WKEGUHRASA-N", "SMILES:C[C@H]1C[C@@H]1n1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWCCLYQOIMHQZ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIEUULLHZMEIQJ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCRYDVGUXVEGT-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKMISPZKBDDFFG-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGSXMDCXVONSV-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQPWEPIHGPBEJY-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CC(CCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWLMVDWYMXMOQD-UHFFFAOYSA-N", "SMILES:CN1CCCC1CCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXGKVGCKFWARNG-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSAGYMBRXXAGLY-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCN1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGFGMNTHAVBKQ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSISVIBJUEAPP-UHFFFAOYSA-N", "SMILES:CN1CCN(CCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPUVBJZPYYTFDJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSXXOCVHDEVRC-UHFFFAOYSA-N", "SMILES:O=c1c2cc(F)ccc2n2c(=S)[nH]nc2n1CCC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUISLORSNIXSN-UHFFFAOYSA-N", "SMILES:NCCOCCOCCOCCOCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRFGJROSYKQLMG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBKAGZOUACCSE-NRFANRHFSA-N", "SMILES:N[C@@H](CCC(=O)O)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCHZRYLWSSSQIS-DEOSSOPVSA-N", "SMILES:CC(C)(C)OC(=O)CC[C@H](N)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUOUODYDIVWSJ-UHFFFAOYSA-N", "SMILES:NCCOCCOCCOCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJJZFIBVFHIINE-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCOCCOCCOCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPRUYNMTXRGZCY-UHFFFAOYSA-N", "SMILES:NCCCCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXODQXNDFBWBFG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCNIXRCQAYEKLX-QGZVFWFLSA-N", "SMILES:CC(C)(C)OC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCNIXRCQAYEKLX-KRWDZBQOSA-N", "SMILES:CC(C)(C)OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCMXMUCLNKTVJQ-AWEZNQCLSA-N", "SMILES:CC(C)(C)OC(=O)CC[C@H](N)C(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAQOSRIIQFGRU-NSHDSACASA-N", "SMILES:N[C@@H](CCC(=O)O)C(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLXWQQCERCCKQU-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGLZWTVFBLIDR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)CCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKQDPRMSQDTVMY-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSQIWIFWKHJOJB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC1CCC(C(=O)NCCCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBMOWNBEYVKSPR-UHFFFAOYSA-N", "SMILES:NC1CCC(C(=O)NCCCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAGCOSGEBJCDU-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSJGQYPVFUHME-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWNDJFLOZNZMQ-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIUUGCPBTCTHAZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODICCGCPVNPQA-UHFFFAOYSA-N", "SMILES:O=C(CC1CCNCC1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLIKJUGKPVXNGK-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)NCCCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOMUBOJHKISIJW-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIJLNXGHNDEKNB-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)c1ccc(Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJAJTDFDSZMRDT-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKPPJNANLJXSI-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1CCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZIKBQATZKNJE-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZDLRSDVCWIQX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUTLBYFPUBZPJS-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(Cl)c1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGRKPQEWRYLLL-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Br)cc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMBLMPPSRRFODO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)NCCCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJFIPOIYIBRSD-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(O)cc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLSVTKNNQDUMY-UHFFFAOYSA-N", "SMILES:COc1ccccc1CC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARRRHZTVWRSLIH-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)NCCCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOVNVBBMCJEQCJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)NCCCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCASXWFAFBFAEM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1C(F)(F)F)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGQNDUYFYKNEC-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVGGYGFBIMIPTH-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1CC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCVKYBDQGXTDAN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CC(=O)NCCCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKGYWCZMZBGMDX-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSLVXWAMBVHNF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccn1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQXTXOFMUXBQO-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccnc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNYRTDIUVCJLS-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccncc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBKUXOLIYAXVGG-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2cccc(F)c2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTFZQKOKWSGNMN-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2cccc(Cl)c2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSVZLHQKCTESW-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2cccc(OC)c2n2c(=S)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYKCYPINRXOND-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2ccccc2n2c(SC(C)=O)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1819181", "category": ["biolink:ChemicalEntity"], "name": "CYCLOTRIAZADISULFONAMIDE HYDROCHLORIDE", "xref": ["InChIKey:ITNHTGZJQXEGQP-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLYHHCRVQRWLGG-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cccc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDWCDIFSKLFQBG-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(CC)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJXXGBXRZINMLA-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(C(C)(C)C)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQICNELNBMWXSV-UHFFFAOYSA-N", "SMILES:Br.C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(O)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXWTLWQAVJEAL-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(OC)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFBTZGCKJZZDQM-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(OCC)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBDJOWVISBJPG-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(OCc3ccccc3)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MISWZOPEWRPEOK-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(OCC3CCCCC3)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVHQKFHNAGYFFO-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(CCC)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGIALFWYYRKJAO-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(CCCC)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKDBSXTPZTCAL-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(CC(C)C)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDQVGEOUKHGYPV-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(-c3ccccc3)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFBWNMVBBYNTLW-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCc2cc(C)cc(n2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPQXQUHXHJLMZ-UHFFFAOYSA-N", "SMILES:C=C1CN(S(=O)(=O)c2ccc(N(C)C)cc2)CCc2cc(CC)cc(n2)CCN(S(=O)(=O)c2ccc(N(C)C)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDBACKRIRWNBE-UHFFFAOYSA-N", "SMILES:COc1cc(NCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWNWQRYINFPGQ-SSEXGKCCSA-N", "SMILES:Cc1cc(CN[C@H](CO)C(=O)O)c(OCc2cncc(C#N)c2)cc1NCc1cccc(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAYFOIXDVKLQN-HSZRJFAPSA-N", "SMILES:COc1cc(NCc2cccc(-c3ccccc3)c2C)c(Cl)cc1CN[C@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDWJLGFOIWCFQU-GDLZYMKVSA-N", "SMILES:Cc1c(CNc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cncc(C#N)c3)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWLMUXYCTGZUML-SSEXGKCCSA-N", "SMILES:Cc1c(CNc2ccc(CN[C@H](CO)C(=O)O)c(OCc3cccc(C#N)c3)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTLNOOYTVGUDL-ZWOKBUDYSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](NC(=O)N(C)C)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028019", "category": ["biolink:ChemicalEntity"], "name": "CARIPRAZINE", "xref": ["InChIKey:KPWSJANDNDDRMB-QAQDUYKDSA-N", "SMILES:CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"], "synonym": ["Cariprazine", "Cariprazine", "Cariprazine", "Cariprazina", "Cariprazine", "Cariprazine", "Fri-7000188", "GED-129", "MP-214", "RGH-188", "Reagila", "Cariprazine"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4753808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTQQYFXMBRLANH-HFMPRLQTSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](N3C(=O)CC4(CCCC4)CC3=O)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPOIBBWMVNTMI-WFXMLNOXSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](NC(=O)c3ccco3)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORDRIDLDACAQJO-IPJJNNNSSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](NC(=O)N3CCCC3)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHYBBJDNMJVBF-WFXMLNOXSA-N", "SMILES:CCN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(Cl)cc3[C@@H](C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWAVTIYFCPJPE-MJGBDJQUSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](N3C(=O)[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4C3)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKPWZSJDGLNAA-ZWOKBUDYSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](N3C(=O)CCC3=O)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYDXOYEOAYSGJ-MJGBDJQUSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWVDYZYSAQNNO-IZVJSRMBSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](N3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSSRMXCAFXSRM-CFFRYYMNSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](NC(=O)[C@@H]3CCCN3)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCTLRJWCRUVTOB-CFFRYYMNSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](NC(=O)[C@@H]3CCCO3)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRCRTBZRIJXRCY-FIKGOQFSSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](NC(=O)C3CC3)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTLNOOYTVGUDL-MBOZVWFJSA-N", "SMILES:C[C@@H]1CN(CC[C@H]2CC[C@H](NC(=O)N(C)C)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXUQVAHOIHHMX-HFMPRLQTSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccc3)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCIOHCJFMCIMPE-SKPFHBQLSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](NC(=O)Nc3ccccc3)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNEYERITNKRLJR-IPJJNNNSSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](NC(=O)N3CCOCC3)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTXNNNIYVQHEB-IPJJNNNSSA-N", "SMILES:CCN(CC)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(Cl)cc3[C@@H](C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMBHQWIFPINWOO-SKPFHBQLSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZEVFJPWWRPRRO-WFXMLNOXSA-N", "SMILES:CCCC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(Cl)cc3[C@@H](C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADVQAEICXAHZOY-IPJJNNNSSA-N", "SMILES:C[C@H]1CN(CC[C@H]2CC[C@H](N3C(=O)c4ccccc4C3=O)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTLNOOYTVGUDL-VXMCLGGDSA-N", "SMILES:CC1CN(CC[C@H]2CC[C@H](NC(=O)N(C)C)CC2)CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3187365", "category": ["biolink:ChemicalEntity"], "name": "ASENAPINE", "xref": ["InChIKey:VSWBSWWIRNCQIJ-UHFFFAOYSA-N", "SMILES:CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1"], "synonym": ["Asenapine", "Asenapine", "Asenapine", "Asenapine", "Asenapina", "Secuado", "Sycrest"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4790142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZWKRALDKBAKOL-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(N)ccc(Nc4ccc(-n5cncn5)cc4)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTGNQCQAPXLMJH-UHFFFAOYSA-N", "SMILES:O=c1c2cc(O)ccc2[nH]c2c([N+](=O)[O-])ccc(Nc3ccc(Cn4cncn4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYHGSGWTODVDN-UHFFFAOYSA-N", "SMILES:O=c1c2cc(O)ccc2[nH]c2c([N+](=O)[O-])ccc(Nc3ccc(CN4CCCCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYUVZVLZYAJTH-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c([N+](=O)[O-])ccc(Nc4ccc(CN5CCCCC5)cc4)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOZNBMJUOZFVOZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c4[nH]c5ccc(O)cc5c(=O)c34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHHFAUSSWBUTST-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCCN4CCN(C)CC4)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJBTGXZGZYYPQ-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFVLXEDXTYGJOK-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFROGMQDWHTCN-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDKWZAZXLULFKP-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWWWTBHRLHZSU-UHFFFAOYSA-N", "SMILES:O=c1c2cc(O)ccc2[nH]c2c([N+](=O)[O-])ccc(Nc3ccc(O)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCGVKEOMRNTUHT-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c([N+](=O)[O-])ccc(Nc4ccc(O)cc4)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWQPGKCTVPZVGK-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3ccc([N+](=O)[O-])c4[nH]c5ccc(O)cc5c(=O)c34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVVBLXYDWOQFZ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(O)ccc2[nH]c2c([N+](=O)[O-])ccc(NCc3ccsc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQOEAWAFSEYRC-UHFFFAOYSA-N", "SMILES:O=c1c2cc(O)ccc2[nH]c2c([N+](=O)[O-])ccc(NCc3ccco3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPMJXRSIPRRAP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2cc(F)c(F)c(F)c2)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULBKXGGTENSMAS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2cccc(-c3c(C)noc3C)c2)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMMYCWWPXZHHG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2ccc(F)c(-c3c(C)noc3C)c2)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZSRORHXRJQHMO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2ccc(C)c(-c3c(C)noc3C)c2)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGKHCGHLYFSQU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2ccc(Cl)c(-c3c(C)noc3C)c2)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXDNXOCJNLMNJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2cc(-c3c(C)noc3C)ccc2C)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUVMUZLTMLHIW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccccc2F)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKXSNQWMUQHPRE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2cc(-c3c(C)noc3C)ccc2F)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOKJKSSLPSBYHP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2cc(-c3c(C)noc3C)ccc2Cl)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDLNMUFAGXQIP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2cc(-c3c(C)noc3C)ccc2OC)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKUBSGCAYENRZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(Oc2cccc(-c3c(C)noc3C)n2)c(-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHIYZLSPWBGKJ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cccc(Oc2ccc(S(C)(=O)=O)cc2-c2cn(C)c(=O)c3cncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDPCVSBIBRSBRA-KRWDZBQOSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)C(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYGWQMTUVYXTP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc5ccccc45)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVAWSIRNZKTBR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CCC(COc4cc(C)nc(C)c4)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATWVFLWANERHD-PXNSSMCTSA-N", "SMILES:CC(=O)Nc1ncc(CN2CC[C@]3(C[C@H](Oc4cc(C)nc(C)c4)CO3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWFOJTPCBVLCHR-XGAFWQRZSA-N", "SMILES:CC(=O)Nc1ncc(CN2CC[C@]3(C2)C[C@H](Cc2cc(C)nc(C)c2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWFOJTPCBVLCHR-RVWIWJKTSA-N", "SMILES:CC(=O)Nc1ncc(CN2CC[C@]3(C2)C[C@@H](Cc2cc(C)nc(C)c2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKVUTIROLMNHNB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CCC(Cc4cc(C)nc(C)c4)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWYPYUDVAICPCV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CC(c4cc(C)nc(C)c4)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJJEQAZUPZKNJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CC(c4cc(C)nc(C)c4)CO3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAOAYPONOBQXBD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CCC(c4cc(C)nc(C)c4)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCCOYDYCRSFOBB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)cc(C)n4)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNXUWVNOCREBOO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc(C(F)(F)F)c4)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPFUSZWWPACECA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CCN(Cc4cnc(NC(C)=O)s4)C3)C2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQVLWJKRQGPGL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc(C)c4)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STVCSJOIRVREDB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc(C)n4)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDUUKXZMXIWIE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)n5ccnc5n4)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSEWUBFXIVTHKH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CC3(CCN(c4cc(C)nc5ncnn45)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IETFFDMVUYUGPT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(C2)CN(c2cc(C)nc4ncnn24)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEGOZGGOBNDOJM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc5ncnn45)C3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3187788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFYOOFXVBCIIP-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1ccc2c(c1)N(c1nc(N)ncc1Cl)CC2)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWXJGGVITLKFFU-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1ccc2nc(O)cc(-c3cn[nH]c3)c2c1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITXWJQLOMDHOW-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2cn[nH]c2)c2cc(C#CC(C)(O)c3nccs3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZAQLLSQFDTKEV-UHFFFAOYSA-N", "SMILES:COCCN(C)c1cc(-c2cn[nH]c2)c2cc(C#CC(C)(O)c3nccs3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWXJEJGYSGGFW-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)c1cc(-c2cn[nH]c2)c2cc(C#CC(C)(O)c3nccs3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPOWDQINRSXMA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3cn[nH]c3)c3cc(C#CC(C)(O)c4nccs4)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBQZHZNSSZMSC-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1ccc2nccc(-c3cn[nH]c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQPXMXNNBIRYGB-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1ccc2nccc(-c3cn[nH]c3)c2c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXMIALOLWNIBBY-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1ccc2nccc(-c3cn[nH]c3)c2c1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVSHCLCVXHXOP-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1ccc2nccc(-c3cn[nH]c3)c2c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQJFNXWDASPQMS-UHFFFAOYSA-N", "SMILES:OC1(C#Cc2ccc3nccc(-c4cn[nH]c4)c3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZUOYGEGLMGNT-UHFFFAOYSA-N", "SMILES:OC1(C#Cc2ccc3nccc(-c4cn[nH]c4)c3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFXBCIQIGFAHKB-GQCTYLIASA-N", "SMILES:CC(O)(/C=C/c1ccc2nccc(-c3cn[nH]c3)c2c1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHYPJGLBCYEAEJ-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(-c3c[nH]nc3Cl)c3cc(C#CC(C)(C)O)c(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3692450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYLUNVLDXOSFLG-JOCHJYFZSA-N", "SMILES:CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSHXYHWYGKAMX-FQEVSTJZSA-N", "SMILES:COc1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQROJYIEHOOQBY-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCLBQVQIDBROG-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N(C(=O)C1CC1)c1ccc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBATZRGYWDQFG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWPNWIGEIJKOEC-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COLGXIYXWMDAJV-UHFFFAOYSA-N", "SMILES:Oc1ccccc1Nc1ncc(C(F)(F)F)c(NC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCYSYZEYWGLFD-UHFFFAOYSA-N", "SMILES:COc1cncc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZPZKMRKGEWLM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccnnc2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIOBLQHVJVYBER-UHFFFAOYSA-N", "SMILES:O=C1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEDPKPBACOHQAY-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccc3nccnc3c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZHAYLOASLDRJN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2cnc3ccccc3c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWRHBTXTQFLVSP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccc3ncccc3c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGUVTBINPLWRA-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccc3ncoc3c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNXCRQROFBPRPD-UHFFFAOYSA-N", "SMILES:CCN1CCOc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQBTZHAGXJLQMZ-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXJPTXXNKELSZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUASMCDFYZNBEE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSDLGVCAMZDLDO-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccc3nn[nH]c3c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKMMKIXQLZPDRD-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYZQKALUJGSGL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTSMUTPVZNMYSW-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDBZMDYBJJGQDJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccc3c(c2)OCCCO3)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIXMXXAIRNOCBS-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccc3c(c2)OCCO3)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACIBBWPFHYLNQW-UHFFFAOYSA-N", "SMILES:FC1(F)Oc2ccc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZYXPQQYVKTSZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Nc2ccc3c(c2)OCO3)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOJFFPCIJQNFCW-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc3c(c2)OCO3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEXGBSJERNQRSV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMOUXLMPQFMDRD-JOCHJYFZSA-N", "SMILES:O=C(NO)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4779477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXWIRLUKKTUJIR-KRWDZBQOSA-N", "SMILES:C[C@H](O)c1nccn1Cc1cc(C#Cc2ccc(OCCCNC3COC3)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHQCZHRWWIALT-INIZCTEOSA-N", "SMILES:C[C@H](O)c1nccn1Cc1cc(C#Cc2ccc(OC3CN(CCO)C3)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNTMFNDWEVZFQX-KRWDZBQOSA-N", "SMILES:C[C@H](O)c1nccn1Cc1cc(C#Cc2ccc(OCCCNCCN)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKGUWMFQYQOPSO-HNNXBMFYSA-N", "SMILES:C[C@H](O)c1nccn1Cc1cc(C#Cc2ccc(OCC(N)(CO)CO)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTNNAQOIVHYIK-OAHLLOKOSA-N", "SMILES:C[C@@H](O)c1nccn1Cc1cc(C#Cc2ccc(CCCO)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTNNAQOIVHYIK-HNNXBMFYSA-N", "SMILES:C[C@H](O)c1nccn1Cc1cc(C#Cc2ccc(CCCO)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTNNAQOIVHYIK-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1Cc1cc(C#Cc2ccc(CCCO)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSFARMCQLNOCPN-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1Cc1cc(C#Cc2ccccc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFOXOGZPNJAOMI-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1Cc1cc(-c2ccccc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIUAONJNKIFKNQ-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1CCCc1ccc(C#Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPAWNVELJQJNW-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1CCc1ccc(C#Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWOCKJEECIAKP-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1Cc1ccc(C#Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBKYXOOBKLUJFE-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1CCCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYBXNXFNMHPCDZ-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1CCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIIIEMMVXDXMRE-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMQIHVGEKZXPJE-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1CCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQCIPCWNZCSMOF-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGDYLOWWOJETKU-UHFFFAOYSA-N", "SMILES:CC(O)c1nccn1CCCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBCFOXHJPICBPC-UHFFFAOYSA-N", "SMILES:OCc1nccn1CCCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLJJKXWBLJQDDT-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCCn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBTQGGJTFWBCHX-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCCCn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2285864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSDKBJVBWKTMH-UHFFFAOYSA-N", "SMILES:Clc1ccc(OCCCn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHUSRDGLBXQJC-UHFFFAOYSA-N", "SMILES:OC(COc1ccc(Cl)cc1)Cn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSFOAKHPYWESFX-UHFFFAOYSA-N", "SMILES:OC(COc1ccccc1)Cn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDSRIBGOLFUDQG-HSZRJFAPSA-N", "SMILES:N[C@H](CO)C(=O)N1CCC(Cc2ccc(C#Cc3ccc(CO)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIMCGHMQWUAEPG-JOCHJYFZSA-N", "SMILES:N[C@H](CO)C(=O)N1CCC(Cc2ccc(C#Cc3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIDTSMYCVZBIC-JOCHJYFZSA-N", "SMILES:N[C@H](CO)C(=O)N1CCC(Cc2ccc(CCc3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHOJKNZNDTYHM-HXUWFJFHSA-N", "SMILES:N[C@H](CO)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWRZEHLCBVZES-CQSZACIVSA-N", "SMILES:N[C@H](CO)C(=O)N1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHAPJSHUQJWWEP-MRVPVSSYSA-N", "SMILES:N[C@H](CC(=O)O)C(=O)Nc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDXLGCTHDABJB-SECBINFHSA-N", "SMILES:CS(=O)(=O)NC[C@@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCAGVRRCBPLMJ-SNVBAGLBSA-N", "SMILES:CS(=O)(=O)CC[C@@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIBNLWOUDWYHMP-MRVPVSSYSA-N", "SMILES:NC[C@@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKNXONMXNVCIX-QMMMGPOBSA-N", "SMILES:N[C@@H](CO)C(=O)Nc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKNXONMXNVCIX-MRVPVSSYSA-N", "SMILES:N[C@H](CO)C(=O)Nc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZQGZAVHPZXJBL-UHFFFAOYSA-N", "SMILES:NCC(=O)Nc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOYFWXULYXUBOS-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUAWUKZZTLIEOC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKCLGZMPMMXRCC-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGLPJVOZARYCF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)NNC(=O)c4ccccc4O)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORIMEXXATCXHGJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)NNc4ccccc4)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERSMCSXSYJTJC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYKSENFTFVZMA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALIQWABLBFPOE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)NCc4ccccc4)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYSSQRULDPITDL-OCSSWDANSA-N", "SMILES:C/C(=N\\NC(N)=S)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIEXIXPBKFQYJJ-ZSNJKBEMSA-N", "SMILES:C/C(=N\\NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDDYILYYEQRBKS-XICOUIIWSA-N", "SMILES:C/C(=N\\NC(=O)c1ccccc1O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPKGTSIGYPOAJL-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYHIMSKJSRZGKN-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGYKDOKOLKKRA-SNVBAGLBSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCC[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKHGLTYXIDOFH-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTNUGRRZDRZIA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOLHNCATQIAQLA-MRXNPFEDSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCC[C@@H](Oc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSVGQOZFIDYIH-KGLIPLIRSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CC[C@@H](O)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOLHNCATQIAQLA-INIZCTEOSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCC[C@H](Oc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSVGQOZFIDYIH-KBPBESRZSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CC[C@H](O)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSVGQOZFIDYIH-UONOGXRCSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CC[C@H](O)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSVGQOZFIDYIH-ZIAGYGMSSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CC[C@@H](O)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFBSTBIVTXNUDF-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCC(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCDOKIROMHIQKP-KRWDZBQOSA-N", "SMILES:CNc1nnc(-c2ccccc2O)cc1N1CCC[C@H](Oc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCDOKIROMHIQKP-QGZVFWFLSA-N", "SMILES:CNc1nnc(-c2ccccc2O)cc1N1CCC[C@@H](Oc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGYKDOKOLKKRA-JTQLQIEISA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOLHNCATQIAQLA-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCCC(Oc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAICWLVUAKEPB-QSTFCLMHSA-N", "SMILES:O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4764641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOBVMDSDYHOOLN-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(N)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKZPGPLMPQKGR-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRUPJJDPGFCIE-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2nc(C(F)(F)F)c3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLZUSKDQWVLIBJ-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)n1nc(C(F)(F)F)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYOQKWGRBUQSNT-UHFFFAOYSA-N", "SMILES:N#Cc1nn(C(=O)c2ccccc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBVVMDHECEHMA-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2nc(C#N)c3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMJTFDSNGCUHM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2nc(C#N)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKKFWLRRFTHSG-UHFFFAOYSA-N", "SMILES:N#Cc1nn(C(=O)C2CC2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHNDEHINXWOPBG-UHFFFAOYSA-N", "SMILES:N#Cc1nn(C(=O)C2CCCC2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFCZVISWFFRDN-UHFFFAOYSA-N", "SMILES:N#Cc1nn(C(=O)C2CCCCC2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUKXAFUIFROQH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYPVIRAQFNZMF-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2nc(C(=O)OC(C)C)c3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJKRTJBVLFBRJQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2nc(C(F)(F)F)c3cnccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNZXMBXLLVNTN-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)n1nc(C(F)(F)F)c2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFXAXMOEREGGD-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2nc(C#N)c3cnccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHYXAKZNFKQCOW-UHFFFAOYSA-N", "SMILES:N#Cc1nn(C(=O)C2CC2)c2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFLLTPFFHYNDT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNVUYUSRKBDIJE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(C(=O)C2CC2)c2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKURZLYPWLBFN-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2nc(C)c3cnccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYYLINAZBVXIDU-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)n1nc([N+](=O)[O-])c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBAYDYCKOYLFO-UHFFFAOYSA-N", "SMILES:Nc1nn(C(=O)C2CC2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOOLUIBYRQMGR-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1nn(C(=O)C2CC2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URELSRURYVVRJY-UHFFFAOYSA-N", "SMILES:CC(=O)n1nc(C(=O)Nc2cccc(C)c2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSDWURRUMMAIG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2cc(C#N)c3ncccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYRHZPOMQLTMD-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C(=O)C2CC2)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVOWHPCVPGQMO-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2cc(C#N)c3cnccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHDVBAXRBNEPRE-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C(=O)C2CC2)c2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEQKZSOHBBKEV-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2cc(C#N)c3ccncc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDPQZVPQLZWTGG-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C(=O)C2CC2)c2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJSFEMVNHNVSD-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)n1ccc2nccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFAKEBBILVFED-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C(=O)C2CC2)c2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWRPBKKMHGTJEV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCn2cc(-c3cc(OC)cc(OC)c3)c3ccc(NC)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQZPBLOWHSYQJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ncc2c(-c3cc(OC)cc(OC)c3)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXEBNKKOLVBTFK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBZJFZDDSRXZMU-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1ccccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHIAVSCMZIJUFF-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1ccccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWADKFDCRHTAR-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CCCCC1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDLIVVHDSGFJIL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQMUKDRVQKBEY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOVPDSRBVJYOK-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDDXGERFFWUUGA-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)[nH]c(C3CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSICHSMKPKKHQA-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVVNYVXJNOLSY-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(CC3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSQLGWAUFNCJKV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVSCXNUTZFPTIV-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(CC3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAOJQOUJVNZWGK-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJOLSZKWFRIAR-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGRYPTZJTSUNHD-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBKDIVBFGZHHCI-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURLVZLUHAXNGH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBSDSAQVLFZKR-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCZLVBATDDLDAC-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBAXOGFMEONMFW-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHIDHFZQOGFHD-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPJWVIWNFNUPS-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEQAEDOKUQTFO-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1311333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZGMAMIIHBRAAR-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKISTZUNFFLKN-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(CC3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCKLAREXGOOSE-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWIKPPNCDBOEMO-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTXYGKAPYWUDO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPXMWJDPQJNRW-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJHFAARZJJDXBG-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYWKCNXUVSVHMI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBGMTUUXXDPOSK-ACHIHNKUSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCC(C(=O)Nc2cccnc2)CC1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGZZPSHDUUUGJ-KYJUHHDHSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URKPQBZLJNVEJM-BCRBLDSWSA-N", "SMILES:CC(C)(C)Oc1ccc(C[C@H](NC(=O)N2CCC(C(=O)Nc3cccnc3)CC2)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXRVJZQNQJNDCF-PXLJZGITSA-N", "SMILES:CC(C)(C)Oc1ccc(C[C@H](NC(=O)N2CCC(C(=O)Nc3cnccn3)CC2)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFQOOWPSMJNNBA-ACHIHNKUSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)N1CCC(C(=O)Nc2cccnc2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPZLBZDCITTEZ-KYJUHHDHSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNLRVABRFTWGN-ACHIHNKUSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(C(=O)Nc2cccnc2)CC1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRBTLMKXZLYHQ-KYJUHHDHSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEAUTDNSLPPTPM-VMPREFPWSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)N1CCC(C(=O)Nc2cccnc2)CC1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGIAIMQJHKBNGC-SVBPBHIXSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSOHMAZEQZHMT-VMPREFPWSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(C(=O)Nc2cccnc2)CC1)C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXVSPEVSPJHTDE-SVBPBHIXSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHKHQZOHVKPBM-LQJZCPKCSA-N", "SMILES:CC(C)(C)CNC(=O)CC[C@H](NC(=O)N1CCC(C(=O)Nc2cccnc2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJXKXLYJBTWSEG-CONSDPRKSA-N", "SMILES:CC(C)(C)CNC(=O)CC[C@H](NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVDKYRWPMOLWEE-LQJZCPKCSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2F)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHCCIZUSGUESNG-LQJZCPKCSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKPTUNTNTZTTP-LQJZCPKCSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKXQGQZQLRURJF-HEVIKAOCSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPLWQMIMLIPHCZ-HEVIKAOCSA-N", "SMILES:COc1ccc(NC(=O)C2CCN(C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](CCc3ccccc3)C(=O)NCc3ccccc3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNWHJCVSFEGQU-LQJZCPKCSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQBIIJYQRCLSH-NSOVKSMOSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFPTJSWTBXIAC-SCTKASNYSA-N", "SMILES:CCCC(CCC)COC(=O)[C@@H](C)NP(=O)(OCCNC(=O)CCl)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3C(=O)NC(N)=NC32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFIFBWVNHLXJFY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)CNc2cc(I)c(Cl)cc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFOCHMOYUMURK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(N2CCN(C(=O)CNc3cc(C4(C)CC4)c(Cl)cc3O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRPZPNYZFSJUPA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXFOHVYGYXWOA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4O)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCTJISIFGZHOFY-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYXGZEZOEUQOLV-UHFFFAOYSA-N", "SMILES:c1ccc2c(Cc3nc4ccncc4[nH]3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLNBVIYKUVMJE-ZSEKCTLFSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSUGJBWDOIVSMH-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPCMVISHWIWVIQ-SFHVURJKSA-N", "SMILES:CN(C)Cc1[nH]c2ccccc2c1[C@H]1NC(=O)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODHMZVFKZVCZOB-YTTGMZPUSA-N", "SMILES:O=C1N[C@H](c2c(CNCc3ccc4ccn(Cc5ccccc5)c4c3)[nH]c3ccccc23)c2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYEQLXOWWLNVDX-PMERELPUSA-N", "SMILES:Cn1cnc(Cn2ccc3ccc(CNCc4[nH]c5ccccc5c4[C@H]4NC(=O)c5ccc(O)cc54)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJHHFDJNRRCUOB-UHFFFAOYSA-N", "SMILES:COc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXKLGDJTWHDLHC-RQVXVNOZSA-N", "SMILES:CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQWSZUIAYHCFL-RQVXVNOZSA-N", "SMILES:CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGZSWNNZSPKNV-LKARYRLESA-N", "SMILES:CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1328", "category": ["biolink:ChemicalEntity"], "name": "PENTAGASTRIN", "xref": ["InChIKey:NEYNJQRKHLUJRU-DZUOILHNSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "synonym": ["Pentagastrin", "Pentagastrin", "Pentagastrin", "Pentagastrin", "Pentagastrine", "Pentagastrina", "Pentagastrin", "AY-6608", "ICI 50,123", "ICI-50123", "NSC-367746", "Peptavlon", "Pentagastrin"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4761587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGRZRSVGTUGTLW-KFRGQKCISA-N", "SMILES:CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNOPQDIAEPNKGY-ZCMAIKNQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIHQELULSLYRT-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)Nc3cc(SCC(=O)O)c(O)c4ccccc34)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSREYZVEZEVNA-LVICEBGESA-N", "SMILES:O/N=C/C1=C(/C=C/c2ccccc2)CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4790497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMYUURWDYOCWKV-AKYRVGECSA-N", "SMILES:Cc1ccc(/C=C/C2=C(/C=N/O)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAEVSWSWIYOJFM-FEPROMLASA-N", "SMILES:COc1ccc(/C=C/C2=C(/C=N/O)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQGYYOPSOFJDR-LVVPDBGKSA-N", "SMILES:O/N=C/C1=C(/C=C/c2ccc(F)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPRASTQGTSCOCH-XLWYYFMFSA-N", "SMILES:O/N=C/C1=C(/C=C/c2ccc(C(F)(F)F)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTXTMXXVSLKGO-RVDMUPIBSA-N", "SMILES:O/N=C/C1=C(CCc2ccccc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEBMNGPBQXMQHV-CUAATHQPSA-N", "SMILES:O/N=C/C1=C(/C=C/Cc2ccccc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDDABUZLLXQARC-ANVLWLQNSA-N", "SMILES:O/N=C/C1=C(/C=C/C2CCCC2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWILEGIKLOKBV-CEKJNPHKSA-N", "SMILES:COc1cccc(/C=C/C2=C(/C=N/O)CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISOUFNJELQXTQU-ZIAPQUINSA-N", "SMILES:O/N=C/C1=C(/C=C/c2cc(F)cc(F)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYCMNFXJZOWSO-UKTHLTGXSA-N", "SMILES:O/N=C/C1=C(c2ccccc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOUCZOKXASWSQE-NTEUORMPSA-N", "SMILES:Cc1ccc(C2=C(/C=N/O)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFCSPZVSJMCBF-GZTJUZNOSA-N", "SMILES:CC(C)(C)c1ccc(C2=C(/C=N/O)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZXSZULLKDHYDZ-NTEUORMPSA-N", "SMILES:COc1ccc(C2=C(/C=N/O)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAGQHKRFYSEPC-XNTDXEJSSA-N", "SMILES:CN(C)c1ccc(C2=C(/C=N/O)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTBXAEVFPBYSMU-WOJGMQOQSA-N", "SMILES:COCCNC(=O)c1ccc(C2=C(/C=N/O)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHXQDOYXCLOAFL-NTEUORMPSA-N", "SMILES:CSc1ccc(C2=C(/C=N/O)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWRGYBCTOARBLS-VGOFMYFVSA-N", "SMILES:O/N=C/C1=C(c2ccc3c(c2)OCO3)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOLHWWZMDZIROD-UKTHLTGXSA-N", "SMILES:CC(C)(C)CCC1=C(/C=N/O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMQKURTXSHITL-NJLIKGMNSA-N", "SMILES:O/N=C/C1=C(/C=C/c2ccccc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAVAXLWOXGYLEN-SXSSDGSKSA-N", "SMILES:Cc1ccc(/C=C/C2=C(/C=N/O)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJKHRDQAOMLQGN-SXSSDGSKSA-N", "SMILES:Cc1ccc(/C=C/c2ccccc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJOYYDDPFXYNBU-YIERNNEGSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAIJWTIQMRUEPX-WRFVMNGSSA-N", "SMILES:Cc1ccc(/C=C/c2ncccc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZZIHNVLJXZQP-OEMBIGBOSA-N", "SMILES:COc1ccc(/C=C/c2ncccc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDLFTSZSXDTJDH-XNTDXEJSSA-N", "SMILES:COc1ccc(-c2ccccc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARAIQIUVHYMRQL-NTEUORMPSA-N", "SMILES:O/N=C/c1cccnc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBYQTCFZLWLKIG-OQLLNIDSSA-N", "SMILES:Cc1ccc(-c2ncccc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDVXBAJHMGTILQ-GOLNNHHQSA-N", "SMILES:O/N=C/c1sccc1/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPOTPNWXKLGSE-MDWZMJQESA-N", "SMILES:COc1ccc(-c2ccsc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCLLHPBPYFJPK-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(C3CCN(C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAOWCAZEVIIQTF-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCVOKUYKZIZJM-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(CCC(C)(C)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFPCWIBSBZRGV-UHFFFAOYSA-N", "SMILES:CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGYVQSUIYINKY-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(C3CCNCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTACRZTNLUBMX-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(CCN(C)C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNXXXTWRVVISA-UHFFFAOYSA-N", "SMILES:CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)cc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCNPFOMEJHOEZ-UHFFFAOYSA-N", "SMILES:CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)cc(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPAWEPBVAVJLJS-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(CCC(C)(C)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNNOVPCZBJZEGV-UHFFFAOYSA-N", "SMILES:CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)cc(C3CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVBBOHRFQUWACF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4cn(CCN(C)C)nc4cc3C(C)(C)O)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKVPKAIRYWQSW-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc2cc(NC(=O)c3nc(C(F)(F)F)cs3)c(C(C)(C)O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBOGHDRIOBYBKU-UHFFFAOYSA-N", "SMILES:Cn1nccc1Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJUYEXVKSVYDQ-ZDUSSCGKSA-N", "SMILES:CC(C)(O)c1cc2nn(C[C@@H]3CCC(=O)N3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXRSHPLJLHEUPU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAIBYQJFNKYMOC-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc2nn(C3CN(C(=O)CC#N)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAVNOBGASVIHAV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSUGZILGAZJHHE-UHFFFAOYSA-N", "SMILES:CN1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKEGZYHAHRSWIR-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc2nn(C3CNC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXNTQZXZBPROQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVYFFOZHZYSYDQ-UHFFFAOYSA-N", "SMILES:COc1cc(C)c2c(=O)c3ccccc3oc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJDKXAMDTHYOLG-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(O)c2oc3cc(O)ccc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNIOCXJKMATPA-UHFFFAOYSA-N", "SMILES:COc1cc(C(Br)Br)c2c(=O)c3ccccc3oc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQXNUXYFJHDQX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3c(C)cc(OC)c(OC)c3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHBDAWRPRVGWOU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3c(C)c(Br)c(OC)c(OC)c3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBYDWMYDFUUHLL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3c(C)c(Cl)c(OC)c(OC)c3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUKHWMNDLTNRX-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(O)c2oc3ccccc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYZJRXWANMUBK-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)c2c(=O)c3ccc(O)cc3oc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHJDBWOPRNRAV-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)c2c(=O)c3ccccc3oc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSCVKSTOCZUFR-UHFFFAOYSA-N", "SMILES:O=Cc1cc(O)c(O)c2oc3ccccc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVNLFOMDIZUYGA-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3ccccc3c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL186863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATWPLNNZKLWEK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3ccccc3oc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRPFBSLWEKZESU-UHFFFAOYSA-N", "SMILES:COc1c(O)ccc2c(=O)c3ccccc3oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL186020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRLDTUABMSTGEB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3ccccc3oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1434162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCWUPRCWDSQEN-UHFFFAOYSA-N", "SMILES:COc1cc2oc3ccccc3c(=O)c2cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4175535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRNUIQDDGNBFL-UHFFFAOYSA-N", "SMILES:COc1ccc2oc3ccccc3c(=O)c2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4060966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POARTHFLPKAZBQ-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(O)cc2oc2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4168741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVZOSVNSMRPQO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2cc(O)c(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL187801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEHHMRXODULBY-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)c3ccccc3oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL186368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGWDKWJYTURSFE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c3ccccc3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL186609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVZCOQQFPCMIPO-UHFFFAOYSA-N", "SMILES:COc1ccc2oc3ccccc3c(=O)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL364619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVWOUZKNCGFRBC-UHFFFAOYSA-N", "SMILES:COc1cccc2oc3ccccc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBQFPPUAIJHDCO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2c(O)cccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL365640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCJHDJAODLKGLG-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL185960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSACHQJPCNOREV-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2ccc(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL187368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNLRKUSVMCIOGU-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2cccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL186784", "category": ["biolink:ChemicalEntity"], "name": "XANTHONE", "xref": ["InChIKey:JNELGWHKGNBSMD-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4788917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASSXIOWAZQVNQH-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c(=O)c3c(O)cc(C)cc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHXWBURLNLUPA-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Cl)cc2oc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUOPPILAFNBOIX-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2ccc3c(Cl)cc(C(N)=O)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOIUSOQBDODLC-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2ccc3c(Cl)cc(C(N)=O)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYNJNGEZBKLLJ-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(-c2ccc3c(Cl)cc(C(N)=O)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBZKZYPVUMLNM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2ccc(-c3ccc(CN4CCCC4)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHUQQITRYLWDY-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(Cc2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVWNHAMURMWVQG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2ccc(-c3ccc(CN4CCNCC4)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCKCDMDQWJOCV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCBYTQZVPPRSI-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(Cc2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTJMSKZSISHSHW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2ccc(-c3ccc(CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPAXZXQSVSLMO-UHFFFAOYSA-N", "SMILES:COC1CCN(C(=O)c2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXQDPCQYYBAFD-UHFFFAOYSA-N", "SMILES:COC1CCN(C(=O)c2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHJDNSMGJXGZKN-UHFFFAOYSA-N", "SMILES:COC1CCN(C(=O)c2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWEVAPYDOAENAP-UHFFFAOYSA-N", "SMILES:COC1CCN(C(=O)c2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXHGLEPFSZKWBR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2ccc(-c3ccc(C(=O)N4CCNCC4)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCRCQGGPLLIBNJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5CC5)CC4)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UORYBBKJEVGLPQ-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEQMFJBVIPUYPA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5CC5)CC4)cc3F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJKKMXPOIHDHZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)C5CC5)CC4)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFZBUSJLFWEDKO-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2cc(-c3cc4c(s3)CCNC4)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDUDWHVXWZWKMX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2cc(-c3cc4c(s3)CNCC4)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCBGTSGFUYWYFN-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2cc(-c3cc4c(s3)CCNC4C3CC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJUHFSGXAQRMKJ-UHFFFAOYSA-N", "SMILES:CC(C)CC1NCCc2sc(-c3cnn4c(C(N)=O)cc(Cl)c4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEZFXBJCFJZWMT-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1NCCc2sc(-c3cnn4c(C(N)=O)cc(Cl)c4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVTNDVTVXDIHDQ-UHFFFAOYSA-N", "SMILES:CC(C)CC1NCCc2cc(-c3cnn4c(C(N)=O)cc(Cl)c4c3)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTEIHWPKPABPJZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1NCCc2cc(-c3cnn4c(C(N)=O)cc(Cl)c4c3)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBRTYDFEGSWVMX-UHFFFAOYSA-N", "SMILES:CN1CCc2sc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCRFEQJWMHAIBJ-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOVTFHBSUSOAM-UHFFFAOYSA-N", "SMILES:O=C(NC(NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXAPPLXJQZTWJT-OCCSQVGLSA-N", "SMILES:C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=S)N3CC[C@H](O)C3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZSIZHMTFAFHMZ-OCCSQVGLSA-N", "SMILES:C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(Nc3c(N4CC[C@H](O)C4)c(=O)c3=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOMSZJJKZWBVAH-CQSZACIVSA-N", "SMILES:C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N(C)CCN(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKMHYAGNOVKYER-CQSZACIVSA-N", "SMILES:C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N3CCN(C)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQQAPSWEZIPTFV-OAHLLOKOSA-N", "SMILES:CC(C)N(C(=O)Nc1cnn2ccc(N(C)[C@H](C)c3cc(F)ccc3F)nc12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMSOLBVHUXFJN-LLVKDONJSA-N", "SMILES:C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N3CC(O)C3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDCSSYHPQMVIE-PUODRLBUSA-N", "SMILES:CCC(CO)NC(=O)Nc1cnn2ccc(N(C)[C@H](C)c3cc(F)ccc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSKPQPVBEFIGBJ-GICMACPYSA-N", "SMILES:C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N3CCCC(CO)C3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STZNSTWBJYAKHQ-CYBMUJFWSA-N", "SMILES:C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)Nc3ccc(O)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSHSNOKCQHFRAX-OCCSQVGLSA-N", "SMILES:C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N3CC[C@H](O)C3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXMDJVFGHZQBRE-YPMHNXCESA-N", "SMILES:C[C@@H](Nc1ccn2ncc(NC(=S)N3CC[C@H](O)C3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGNCTJVAUAZQDJ-YPMHNXCESA-N", "SMILES:C[C@@H](Nc1ccn2ncc(Nc3c(N4CC[C@H](O)C4)c(=O)c3=O)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWAOBYAAHVVPGD-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(NC(=O)N(C)CCN(C)C)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPVVAEDMCPEANH-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(NC(=O)N3CCN(C)CC3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEHIPRLZSVZRLS-CQSZACIVSA-N", "SMILES:CC(C)N(C(=O)Nc1cnn2ccc(N[C@H](C)c3cc(F)ccc3F)nc12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXYIKRACZYAIU-SNVBAGLBSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(NC(=O)N3CC(O)C3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBYBXLWMSCLSKJ-JTDNENJMSA-N", "SMILES:CCC(CO)NC(=O)Nc1cnn2ccc(N[C@H](C)c3cc(F)ccc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWSDRXXRPCLNY-KWCCSABGSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(NC(=O)N3CCCC(CO)C3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWIELJQTJFGEY-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(NC(=O)Nc3ccc(O)cc3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDQLYPXJALLMPO-YPMHNXCESA-N", "SMILES:C[C@@H](Nc1ccn2ncc(NC(=O)N3CC[C@H](O)C3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1336903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDCEMLPRAHHEV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NC2COc3ccccc3C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVJHLXSCZLGPC-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NC2COc3ccc(C#N)cc3C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAOFHWBMDKLLIX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NC2COc3ccc(F)cc3C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENOUPVSZYKLRD-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NC2CSc3ccc(F)cc3C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYVCHODXOCYRR-CQSZACIVSA-N", "SMILES:O=C(Nc1ccc(-n2cncn2)c(Cl)c1)N[C@H]1COc2ccc(Br)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXUUKCOJZHPIK-UHFFFAOYSA-N", "SMILES:COc1ncc(NC(=O)NC2COc3ccc(Br)cc3C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEPLLIXFRYENAI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2cnc3ccc(Br)cc3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJYSGBOYXWSQKH-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2cnc3ccc(Br)cc3c2Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFKNLMRGBDXLEB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2cnc3ccc(C#N)cc3c2N(C)C2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYMOIZUTIGPRRU-UHFFFAOYSA-N", "SMILES:COc1ncc(NC(=O)Nc2cnc3ccc(C#N)cc3c2N(C)C2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUWGQCZBVZRIIC-AWEZNQCLSA-N", "SMILES:COc1ccc(NC(=O)Nc2cnc3ccc(C#N)cc3c2N2CCOC[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTPIBKKYCMLDF-ZDUSSCGKSA-N", "SMILES:COc1ncc(NC(=O)Nc2cnc3ccc(C#N)cc3c2N2CCOC[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUAVECHIWAOHPH-JTQLQIEISA-N", "SMILES:COc1ncc(NC(=O)Nc2cnc3cc(Br)nn3c2N2CCOC[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXPSNPDNZTXPH-UHFFFAOYSA-N", "SMILES:COc1ncc(NC(=O)Nc2cnc3cc(Cl)nn3c2N2CCOCC2(C)C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRJJKLWTBKXQG-UHFFFAOYSA-N", "SMILES:CC1(C)COCCN1c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDAYYWUORPZJTM-QWRGUYRKSA-N", "SMILES:COc1ncc(NC(=O)Nc2cnc3cc(Cl)nn3c2N2[C@@H](C)COC[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPCFGGFGQMJQG-QWRGUYRKSA-N", "SMILES:C[C@H]1COC[C@H](C)N1c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVAWSCAKBGGGTH-UHFFFAOYSA-N", "SMILES:COc1ncc(NC(=O)Nc2cnc3ccc(F)cc3c2N(C)C2CCCN(C)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHTQRCYHYHIBBB-INIZCTEOSA-N", "SMILES:C[C@H]1COCCN1c1c(NC(=O)Nc2cnc(OC3CCN(C)CC3)c(Cl)c2)cnc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDCEMLPRAHHEV-CYBMUJFWSA-N", "SMILES:COc1ccc(NC(=O)N[C@H]2COc3ccccc3C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLXVWQYQQNUFOP-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NC2COc3ccc(Br)cc3C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARWIUUOQIIJYSA-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CC2COc3ccccc3C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONLDYVSTIWZOLP-AYCKEJKLSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVVGLGMUWKXFN-YYSPBGNDSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJMYPIVLFFMZAC-YYSPBGNDSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTAYJCHBIVXQJF-VEXUSMLFSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(C(C)(C)C)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFVNKKWXMSMCB-VEXUSMLFSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(C(C)(C)C)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHLEJQNWOTWPT-AYCKEJKLSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGXKAZRUQQNMKC-AYCKEJKLSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRWYWBGKLAOAI-YYSPBGNDSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHUPMBKAOHPRFE-ZDERHKTGSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MECMHMVDUUQHDR-ZDERHKTGSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUPIYLIWLYEQC-YYSPBGNDSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTSLRMVPWTVVQV-YYSPBGNDSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKEUMUBQYMBDQV-YYSPBGNDSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMMLXYBGWEIQQ-ZDERHKTGSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUELCPPLRJAJCW-SPTGULJVSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(-c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVLVLDJDOAWDLZ-SPTGULJVSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRZTFYDEIPOBW-JQTYSHOSSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRJIPNPMMDEUDH-SPTGULJVSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(-c2cncnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXSRNDWXMXOLF-AVCZWDQHSA-N", "SMILES:C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMXXHHTPHUVOW-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3nccc(F)c23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4245242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKUPZBPYLVKVSU-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXXUCJHJNBTGA-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2cccc(CC(=O)Nc3nc(-c4c[nH]c5ncc(F)cc45)cs3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4245197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFDDQXJIFPNJKA-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2cccc(CC(=O)Nc3nc(-c4c[nH]c5ncccc45)cs3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWQRIWDMNAKJAF-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(-c4c[nH]c5ncccc45)cs3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFROXSZXWNETH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZODPRUGMSXPY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncc(Cl)cc34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOOCGXLWJUEWKD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4nccc(Cl)c34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYNHVEYOHSLCKR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncc(O)cc34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTZWBJZYUKABMZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncc(F)cc34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVIIJGJUTPYVPB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4nccc(F)c34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEVKWDVMEOUOOQ-UHFFFAOYSA-N", "SMILES:Cc1sc(NC(=O)Cc2cccc(NS(C)(=O)=O)c2)nc1-c1c[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATYJOJCDZHANCF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3c[nH]c4ncccc34)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOSFMBAJZWYVBD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2nccc(-c3c[nH]c4ncccc34)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSIPOJFTLXHWGW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2nnc(-c3c[nH]c4ncccc34)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKVXZAHHNUGIGN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3c[nH]c4ncccc34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRVKOPXUMCGJA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2ccc(-c3c[nH]c4ncccc34)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPKDLTHRSGOKHW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2cnc(-c3c[nH]c4ncccc34)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIUHVDROHDSKTC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCFYJTHIULMJSE-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncc(F)cc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPKISLASRMRDH-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(-c4c[nH]c5ncc(F)cc45)cs3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSKFHFMQVYDTMK-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(-c4c[nH]c5nccc(F)c45)cs3)c2)CC1"]}
{"name": "Protein mono-ADP-ribosyltransferase PARP12", "xref": ["CHEMBL.TARGET:CHEMBL2429709"], "id": "UniProtKB:Q9H0J9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein mono-ADP-ribosyltransferase PARP11", "xref": ["CHEMBL.TARGET:CHEMBL2380189"], "id": "UniProtKB:Q9NR21", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein mono-ADP-ribosyltransferase PARP10", "xref": ["CHEMBL.TARGET:CHEMBL2429708"], "id": "UniProtKB:Q53GL7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein mono-ADP-ribosyltransferase PARP8", "xref": ["CHEMBL.TARGET:CHEMBL3091262"], "id": "UniProtKB:Q8N3A8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein mono-ADP-ribosyltransferase TIPARP", "xref": ["CHEMBL.TARGET:CHEMBL2380188"], "id": "UniProtKB:Q7Z3E1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIUPFYRAAIUMB-UHFFFAOYSA-N", "SMILES:CC(C)(N)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWPRZVIPZXIHL-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCN2CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGFVHDYZYNUJJN-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCN2CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGMWSRSCJFPYFR-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2c3c4c(cccc41)C(=O)NN=C3CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDIVRNRWIUPJX-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c2c3c4c(cc(F)cc41)C(=O)NN=C3CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPCCVBMKWOBTFC-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c2c3c4c(cccc41)C(=O)NN=C3CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRAYRDWMXKNOG-UHFFFAOYSA-N", "SMILES:CC12CCCN1Cc1[nH]c3cc(F)cc4c3c1C2=NNC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4107982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYWCKXGGCVENO-MRXNPFEDSA-N", "SMILES:C[C@]12CCCN1CC1=NNC(=O)c3cccc4[nH]c2c1c34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJWFKZVPZAJAX-JTQLQIEISA-N", "SMILES:O=C1NN=C2CN(C(=O)[C@@H]3CCCN3)Cc3[nH]c4cc(F)cc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECWKJIYLZFNLH-UHFFFAOYSA-N", "SMILES:CC(C)(N)C(=O)N1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQQZSZUQOWRTCC-UHFFFAOYSA-N", "SMILES:NC1(C(=O)N2CC3=NNC(=O)c4cc(F)cc5[nH]c(c3c45)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJIUFASTARPKEE-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CN(S(=O)(=O)C3CC3)Cc3[nH]c4cc(F)cc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRIMNNIMOSTHC-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWDMQGDJNHZOY-UHFFFAOYSA-N", "SMILES:CC1(C)C(C(=O)N2CC3=NNC(=O)c4cc(F)cc5[nH]c(c3c45)C2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQRDHQOGHBJDGQ-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CN(C(=O)C3(O)CC3)Cc3[nH]c4cc(F)cc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSHFBIALDVUJEM-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CN(C(=O)C3(c4ccccc4)CC3)Cc3[nH]c4cc(F)cc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWCWMWEAAPENF-UHFFFAOYSA-N", "SMILES:CC1(C(=O)N2CC3=NNC(=O)c4cc(F)cc5[nH]c(c3c45)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGLRPCROOKIUAR-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CN(C(=O)C3CC3)Cc3[nH]c4cc(F)cc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFCYAFSJOZTJKT-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CN(C(=O)C3CC3)Cc3[nH]c4cccc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCFPMVIGGJEDE-UHFFFAOYSA-N", "SMILES:CCCCN1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTLTUSKQCUOOQ-UHFFFAOYSA-N", "SMILES:CC(C)N1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZDZBZWWQUDTKX-UHFFFAOYSA-N", "SMILES:CC(C)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRHHHBWOPWMLC-UHFFFAOYSA-N", "SMILES:CCCN1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRMVOAXRGCWIR-UHFFFAOYSA-N", "SMILES:CCN1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCIQJLFUQLNEJQ-UHFFFAOYSA-N", "SMILES:CN1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOEFAUKYMBKXPU-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CNCc3[nH]c4cc(F)cc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDKBUNBKDWDBU-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CNCc3[nH]c4cccc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQUWQXVESJLVLB-UHFFFAOYSA-N", "SMILES:CNCCn1c2c3c4c(cccc41)C(=O)NN=C3CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUANYXVPMSWFM-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CC2CO2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANTJUZCADLKJBA-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKHQKGUIQODNS-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCN2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3976904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYWFTJKIAJYAFU-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCN(Cc2ccccc2)Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQMIDHLMQTNRA-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CCCc3c2c2c1cccc2n3CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVSHPARHGQSONL-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CCCc3c2c2c1cccc2n3CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASIFNLNMOYRKGY-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CCCc3c2c2c1cccc2n3CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPICZYMZUHZGX-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CCCc3c2c2c1cccc2n3CCN(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRLVHMYIPKIQD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2c3c4c(cccc41)C(=O)NN=C3CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIRNFRVHNPNZGP-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c2c3c4c(cccc41)C(=O)NN=C3CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAIHMZTEDGLRK-UHFFFAOYSA-N", "SMILES:Cn1c2c3c4c(cccc41)C(=O)NN=C3CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEZIDPRFDUZED-UHFFFAOYSA-N", "SMILES:Cn1c2c3c4c(cccc41)C(=O)NN=C3CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVEKOZNCZJHWEH-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YADMFPWTDIQDHU-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOHZUJVLBHHRQQ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)C2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIYLVRUTQRQGPO-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CCCCc3[nH]c4cc(F)cc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLCHMGRFSJQORK-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CCCCc3[nH]c4cccc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIXBSPKLTDSYJC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2CC3=NNC(=O)c4cc(F)cc5[nH]c(c3c45)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZSILESJFBWTKL-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CC(c3ccccc3)Cc3[nH]c4cc(F)cc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISQUAVJORRNWGA-UHFFFAOYSA-N", "SMILES:CC(C)C1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCDKHNXJMSHBER-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2[nH]c3cc(F)cc4c3c2C1=NNC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDQDKCGQZXCZGC-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3c(F)ccc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQFEYXRRZRKBA-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHHFTURDICHXNW-UHFFFAOYSA-N", "SMILES:CC1(C)CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZLDTLJZDXBQCV-UHFFFAOYSA-N", "SMILES:CC1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZURNHBTYEZHC-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CCCc3[nH]c4c(F)ccc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKIBUJVDRWECHV-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CCCc3[nH]c4cc(F)cc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJVOTFHPYZESL-UHFFFAOYSA-N", "SMILES:O=C1NN=C2CCCc3[nH]c4cccc1c4c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHZPZECSBHKZCG-FVZADQOOSA-N", "SMILES:CC(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](O)C[C@@H]3C[C@@H](O)[C@]12O)COS(=O)(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4082527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGRDQSSNSDLZLJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARTOQDWYVJQZST-UHFFFAOYSA-N", "SMILES:N#Cc1c(Nc2cccc(Cl)c2)nc(SCC(=O)NC(=O)Nc2ccccn2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISZRCJOELSXBGD-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WABBRQRQLDZQOT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc3c(C)cc(=O)oc3c2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTLWKGLSMVVVBL-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIVQCDQSLKJSGK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(O)c(Cl)c2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQQYXXRFIFCLBB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(O)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWDOAGVEAWCPHG-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTTOGFYLWHCQHI-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLEDLOYCATXRAG-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKHSKMVFGGAFFY-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLFDZJCTDWECH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(Cl)cc2Cl)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWHDKXWIFAFCRE-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSXANEXPVMBTSQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C#N)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWVPTYNJTNADOU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C(=O)O)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCYJNGRIFXEJG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(Br)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZICKIIZVPCXRL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(Cl)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPUPMJSUYBHUSL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccccc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYFGOOUDDKHTTH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(OC(F)(F)F)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLFYJQLYZYBEY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXBLFFZWQFTIM-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGGHWYQHXLFQP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)c(C)c2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVUFYZCWMBXROP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(F)c(F)cc2F)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSEFGOIPTZHCNL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)c(Cl)c2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNKBKBXPQZOMIJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2c(F)cccc2F)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLWXBUCDLJJRI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc(F)c2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFZKHICVKUQIT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccccc2F)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPQYHPPWLDXOH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCC(=O)c3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFGWGWQXPLGJHN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3csc4ccc(Cl)cc34)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFNGKXOXONHJL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCC3CC3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFOUTWILOEPNR-UHFFFAOYSA-N", "SMILES:C#CCSc1nc2nc(C)cc(Nc3ccc(F)cc3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARKOWDAJNJDCSX-UHFFFAOYSA-N", "SMILES:C=CCSc1nc2nc(C)cc(Nc3ccc(F)cc3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPWYBJXBLUUWJK-UHFFFAOYSA-N", "SMILES:CCCSc1nc2nc(C)cc(Nc3ccc(F)cc3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRMJFJUNABWOI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCCCc3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQBPHQGRJLGCP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCCc3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZZHBGHMCIWGSE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3cccc4ccccc34)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUONLCNUVGQER-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nc3nc(C)cc(Nc4ccc(F)cc4)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPASNPKYDLMMPU-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc3nc(C)cc(Nc4ccc(F)cc4)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQKTXDHAFLMRDM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3c(Cl)cccc3Cl)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZAQPAVERBGRNJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3cccc([N+](=O)[O-])c3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPIFIJLNGKXLPQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccc([N+](=O)[O-])cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOCSRDEISMEMM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccc(C(F)(F)F)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRXBIMLJCGZBBW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3cccc(Br)c3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHCLEJIHYNXGG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccccc3Br)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFPDAIOQIWUJFZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccc(Br)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYPPCZCSYOHOSF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccc(Cl)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWVJFGBZGNIPC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccc(F)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNKJHCSPLQSGF-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Nc2ccc(F)cc2)n2nc(SCc3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWNEVWOKIIVCJ-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKBNWYFLECFJMN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEAPRUOOAMACBC-BETUJISGSA-N", "SMILES:O=c1c2ccccc2oc2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc12"]}
{"name": "Long-chain-fatty-acid--CoA ligase 6", "xref": ["CHEMBL.TARGET:CHEMBL4680042"], "id": "UniProtKB:Q9UKU0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRIDRFDBDHQND-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCOc1ccc2oc3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCUWRMCUAYZEHP-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCOc1ccc2oc3ccccc3c(=O)c2c1"]}
{"name": "Fatty acid CoA ligase Acsl3", "xref": ["CHEMBL.TARGET:CHEMBL4680023"], "id": "UniProtKB:O95573", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTZICVDEFGCNR-WVQHILGCSA-N", "SMILES:Cn1c(Cc2ccc3c(c2)OCC3)nc2cc(O[C@H]3CC[C@@](F)(c4nnn[nH]4)CC3)ccc21"]}
{"name": "Long-chain-fatty-acid--CoA ligase 1", "xref": ["CHEMBL.TARGET:CHEMBL4680026"], "id": "UniProtKB:P41216", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHHWQHDOYQMKNA-QBNMFFNISA-N", "SMILES:Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@](F)(c5nnn[nH]5)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFQHDAXEXCQEW-HDICACEKSA-N", "SMILES:Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](c5noc(=O)[nH]5)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIRKBUPKWHTTOT-HDICACEKSA-N", "SMILES:Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](c5nnn[nH]5)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYSDBXPMZPSKZ-HDICACEKSA-N", "SMILES:Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(N)=O)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBODDHYPNEDMF-CALCHBBNSA-N", "SMILES:Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ncc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJVTSFZKBWLKE-CALCHBBNSA-N", "SMILES:Cc1cccc(Cc2nc3nc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBXFZQMWOEXAO-CALCHBBNSA-N", "SMILES:Cc1cccc(Cc2nc3c(Cl)c(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXQGABATXJKVQH-CALCHBBNSA-N", "SMILES:Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)c(Cl)cc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJMKWACDDUDTK-CALCHBBNSA-N", "SMILES:Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)cc(Cl)c3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWKLIUZZSNHQPG-HDICACEKSA-N", "SMILES:Cc1cccc(COc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIAGBRRNCAKUFF-IYBDPMFKSA-N", "SMILES:Cc1cccc(Oc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POCNCTWOZHORBI-HDICACEKSA-N", "SMILES:Cn1c(Cc2ccc3c(c2)OCC3)nc2cc(O[C@H]3CC[C@@H](C(=O)O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJRKOUTKYMJRN-HDICACEKSA-N", "SMILES:Cn1c(Cc2cccc(C#N)c2)nc2cc(O[C@H]3CC[C@@H](C(=O)O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBVNZHBGFAPTHG-WOVMCDHWSA-N", "SMILES:Cn1c(Cc2cccc(C(F)(F)F)c2)nc2cc(O[C@H]3CC[C@@H](C(=O)O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVKZTDRSCODZBO-HDICACEKSA-N", "SMILES:Cc1ccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSVUNFQRFYIXGF-MAEOIBBWSA-N", "SMILES:Cc1ccccc1Cc1nc2cc(O[C@H]3CC[C@@H](C(=O)O)CC3)ccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZZWRNYJGCTBY-KDURUIRLSA-N", "SMILES:Cc1cccc(Cc2c(C#N)c3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEDOVZILKJKRFV-HDICACEKSA-N", "SMILES:Cc1cccc(Cc2c(C(N)=O)c3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLXECGBLJBFCA-RVWIWJKTSA-N", "SMILES:Cc1cccc(Cc2cc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOKNSNBXUZHFKO-KDURUIRLSA-N", "SMILES:Cc1cccc(Cn2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJYFETIOPQLONV-HDICACEKSA-N", "SMILES:Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYJYILNJZPLLDQ-CALCHBBNSA-N", "SMILES:Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYEJVOBDQRAKHY-GASCZTMLSA-N", "SMILES:O=C(O)[C@H]1CC[C@@H](Oc2ccc3oc(-c4ccccc4)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSDZXYYZLLHTFW-AKAXFMLLSA-N", "SMILES:O=C(O)[C@H]1CC[C@@H](Oc2ccc3c(c2)Cc2ccccc2O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEAPRUOOAMACBC-JOCQHMNTSA-N", "SMILES:O=c1c2ccccc2oc2ccc(O[C@H]3CC[C@H](C(=O)O)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOZJDXWXLPXQO-IYBDPMFKSA-N", "SMILES:Cn1c(Cc2cccnc2)nc2cc(O[C@H]3CC[C@@H](C(=O)O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCZTCDNQHHXBW-OKILXGFUSA-N", "SMILES:O=C(O)C[C@H]1CC[C@@H](Oc2ccc3oc4ccccc4c(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWMYZQUTPMTII-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDGVAZLABKEEV-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CCOCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXSXYJRGCSCSS-ZDUSSCGKSA-N", "SMILES:COc1ncc(-c2cc3c(N4CCOC[C@@H]4C)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXSXYJRGCSCSS-CYBMUJFWSA-N", "SMILES:COc1ncc(-c2cc3c(N4CCOC[C@H]4C)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHQSUCIKRILTJV-OKILXGFUSA-N", "SMILES:COc1ncc(-c2cc3c(N4C[C@@H](C)O[C@@H](C)C4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHQSUCIKRILTJV-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CC(C)OC(C)C4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQQKEDISBHSKRK-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CCSCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWSZJSRFNEGRG-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CCCCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWEKSXRNBMZIOC-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CCCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHIRDNSGXDAPGS-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CCC(OC)CC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KENXWRZMXQJNDS-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CC(OC)C4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXPQXJKNQJANII-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CC5CCCC5C4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMSIJVBZMVYJGH-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CC5COCC5C4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYJZOKVWTXMRI-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CCN(C)CC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEQGPSXVKWTZCO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(N4CCN(C)C(=O)C4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOBMLLWIKWJZDR-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc3c(N4CCOCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVESNAIQWJOHRS-LBPRGKRZSA-N", "SMILES:COc1ncc(-c2nc3c(N4CCOC[C@@H]4C)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVESNAIQWJOHRS-GFCCVEGCSA-N", "SMILES:COc1ncc(-c2nc3c(N4CCOC[C@H]4C)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTVUBUSBPTPLN-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc3c(N4CC(C)OC(C)C4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTVZGXVDNNSQGB-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc3c(N4CCC(OC)CC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZKLUQYBZREHON-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc3c(N4CCCCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCIIZITYGBSMY-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc3c(N4CCCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWHZSGXHUADSGV-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc3c(N4CC5CCCC5C4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462530", "category": ["biolink:ChemicalEntity"], "name": "ZEMIRCICLIB", "xref": ["InChIKey:AVIWDYSJSPOOAR-LSDHHAIUSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)C1"], "synonym": ["Zemirciclib", "Zemirciclib", "Zemirciclib", "Azd 4573", "Azd-4573", "Azd4573", "Zemirciclib", "AZD-4573", "AZD4573"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKIBGBJFUGFCIJ-LSDHHAIUSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CCCC4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIFUJUJDWUQEV-LSDHHAIUSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(F)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLBMMPZICNYISW-MOUIRZPISA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4O)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQSWVAJJNFGEP-IODPJOFQSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CCCC4O)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVQHPTYDFVVJV-PHIMTYICSA-N", "SMILES:CC1(C)Cc2c(-c3cc(NC(=O)[C@H]4C[C@@H](O)C4)ncc3Cl)cnn2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPDEKKKGHCODA-UONOGXRCSA-N", "SMILES:CC(=O)N[C@@H]1CC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVIWDYSJSPOOAR-UHFFFAOYSA-N", "SMILES:CC(=O)NC1CCCC(C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVIWDYSJSPOOAR-CABCVRRESA-N", "SMILES:CC(=O)N[C@H]1CCC[C@@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHNSDCQWFJNJI-LSDHHAIUSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnc4n3CC(C)(C)C4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJSUGHOGMRTFQ-JQXSQYPDSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)C4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDQRCUOYOAPFLR-DLBZAZTESA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(C)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCCDPNHGMPXBNQ-DOTOQJQBSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(C#N)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJPXLFAVIITJQ-DLBZAZTESA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNUJHRYFOFHSMX-JKSUJKDBSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)CC4)c(F)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWYGUWLGRESFH-ZWKOTPCHSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)CC4)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFJRNNBNQWDLA-UONOGXRCSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3OCCC4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGTYXDXGMWEQPT-UONOGXRCSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3NCCC4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFOMPAUTQPTGQD-LSDHHAIUSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CN(C)CC4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVDIVXPUWFCOD-UONOGXRCSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3COCC4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEIZYLBJBXFABU-JKSUJKDBSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CCCCC4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJQYFCYYWSDGL-UONOGXRCSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnc4n3CCC4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFAKZUMJVBULBO-UONOGXRCSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CCC4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRFNXJNNHKTTHP-LSDHHAIUSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnc4ccccn34)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPZMRZUXNMEPOS-LSDHHAIUSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnc4n3CCCC4)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLVLJWBRRRDIH-LSDHHAIUSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4ccccc34)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLFRFPIPIGBBMO-UONOGXRCSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn(C)c3C)c(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQNWDWADMKKFN-LSDHHAIUSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CCCC4)c(F)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASEPZBUAEOJUCM-DLBZAZTESA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CCCC4)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDSTXIMWVAEDEM-ZWKOTPCHSA-N", "SMILES:CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnc(C)n3C(C)C)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3673434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWXRLPZIFMTBK-DOTOQJQBSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@@H](NC(C)=O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASABYJQIYJDID-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2CC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLOKENLSGFWDSP-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(C#N)c2)n(OCc2ccc(C#N)cc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPDXVIKELDWSMA-UHFFFAOYSA-N", "SMILES:COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2C(C)(C)C)c1"]}
{"name": "Type-2 angiotensin II receptor", "xref": ["CHEMBL.TARGET:CHEMBL4680025"], "id": "UniProtKB:P35374", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLXKBGVMULSBO-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NSc1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDDUNMMFDVANI-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVZOWCOIHNZDS-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTPYHEJTUKIBIA-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXPFUJNPGJGMK-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2CCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSLRIMAAJIWRY-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2CCCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVNVSKNSMQOOJ-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKILMTRXKCIESJ-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWNGRYBTVXPJDI-UHFFFAOYSA-N", "SMILES:COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJYDALZQJGKRV-UHFFFAOYSA-N", "SMILES:CCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJAQKLZXRPAQPR-UHFFFAOYSA-N", "SMILES:CCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFFZVRMGMREEU-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNANUSCDOZUBH-DFFLPILJSA-N", "SMILES:C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@]2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTIYQIPSAGSBP-ZACQAIPSSA-N", "SMILES:C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJAQRRJZQKXEBX-IBGZPJMESA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNBNANJOLFSXST-JKXTWKSPSA-N", "SMILES:CC[C@H](C(=O)Nc1ccc(Cl)cn1)[C@H]1CC[C@]2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNANUSCDOZUBH-AYSMAOOMSA-N", "SMILES:C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@@]2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWSINFMEXSXDH-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(Cl)cc1)N1CCC2(CCOc3cc(C(F)(F)F)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHSSELHGQOXYDH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(CC1CC1)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVOJERZGLLIIRZ-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(Cl)cc1)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJWKPQJNLQEXMW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNKZBRNGRLKCM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNDYVJCGAPHEQO-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(Cl)cc1)C1CCC2(CC1)c1ccc(C(F)(F)F)cc1CN2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LARQRQRFGGPTHE-RXSFTSLZSA-N", "SMILES:C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@]2(CC1)COc1ncc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKKEVQABCTGTA-RXSFTSLZSA-N", "SMILES:C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@]2(CC1)COc1nc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNANUSCDOZUBH-DOQJBMMISA-N", "SMILES:C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@]2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNANUSCDOZUBH-HLFMIMNKSA-N", "SMILES:C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@@]2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJAQRRJZQKXEBX-LJQANCHMSA-N", "SMILES:CC[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOWQYHFJSZUMF-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(Cl)cc1)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUDCDQXGJNLCG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(CCO)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFVJURPSPRRPG-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(Cl)cc1)N1CCC2(CCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVPCIJQMPFBEPO-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC2(CC1)COc1cc(C(F)(F)F)ccc12)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWPJAYVMXQLCZ-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC2(CCc3ccccc32)CC1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOFDQTHDCXJKRU-GQCTYLIASA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)COc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWSYBBGTWLBKIV-KRXBUXKQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)COc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKXAVMITOMWEIS-KRXBUXKQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)COc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDDOIBNGXAOLEL-VMPITWQZSA-N", "SMILES:Cc1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKWGNMIYYGRBJT-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)COc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSHKDJHZNZUYQM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJGGHANRDZXTD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZMFKHZKGYYFSP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRNFWBIWVFHLH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAMZJTKFGMSFPP-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFQHKYRGJBTDLZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLEMREKMUNZZRK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXZSMIKTAEFDS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1)c1cc2cccnc2n(-c2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFOFBKNVFPNRCG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1)c1cc2cccnc2n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOQRISCUYEDLR-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(Cl)cc5)c4=O)cc3F)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFVNXEVCPCYBSM-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(F)cc5)c4=O)cc3F)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUWMADFOQFENP-PDBXOOCHSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)NCCc1ccccc1"], "chembl_natural_product": true}
{"name": "Bifunctional epoxide hydrolase 2", "xref": ["CHEMBL.TARGET:CHEMBL4140"], "id": "UniProtKB:P34914", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTTCINWLVDFNTR-HZJYTTRNSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4779803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBXOFWTDUMHKR-AGRJPVHOSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)NCc1ccc(OC)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4795105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMACUDZMVBLHGS-MURFETPASA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCc1ccc(OC)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4762433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPBNUHMEAUHHS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCc1ccc(OC)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4756519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODCTFACNKXOBA-JEBPEJKESA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCc1cccc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4753325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTIZQJLALOGMDO-ZKWNWVNESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCc1cccc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2413162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHCEDYSKNATME-YSTUJMKBSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)NCc1cccc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2413160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMQBTHWVNBJSPS-NQLNTKRDSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCc1cccc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2415105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMKZIKHBSPDWEF-KHPPLWFESA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCc1cccc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4742239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYDJGAZOQXONR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2415103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQGQTITXPTKIY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4783862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIMYRMWXQWTCCQ-JLNKQSITSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4797803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVDDEZGYMHBRC-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2413161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMMYRWIEZCYDK-PDBXOOCHSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)NCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2415106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJWLCIANOBCQGW-HZJYTTRNSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1223510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXGFOCPQQADIF-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2415104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXODJGLAVBPVSW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2415102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGPKWUKOQAAGI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCc1ccccc1"], "chembl_natural_product": true}
{"name": "Bifunctional epoxide hydrolase 2", "xref": ["CHEMBL.TARGET:CHEMBL5669"], "id": "UniProtKB:P80299", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLDCLXBYPQVTB-FUHWJXTLSA-N", "SMILES:CN1CCC[C@H]1[C@H]1COc2c(cccc2-c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLDCLXBYPQVTB-WMZOPIPTSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2c(cccc2-c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJVMOFFYPPJEG-CMPLNLGQSA-N", "SMILES:CN1CCC[C@H]1[C@H]1COc2c(N)cccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJVMOFFYPPJEG-JQWIXIFHSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2c(N)cccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHZZYAZTAMUGH-QFBILLFUSA-N", "SMILES:CN1CCC[C@H]1[C@H]1COc2cc(-c3ccccc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHZZYAZTAMUGH-LPHOPBHVSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2cc(-c3ccccc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVYOAOOUKHQGRM-GXFFZTMASA-N", "SMILES:CN1CCC[C@H]1[C@H]1COc2cc(O)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVYOAOOUKHQGRM-GWCFXTLKSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2cc(O)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJUMUZTONCAMS-GXFFZTMASA-N", "SMILES:CN1CCC[C@H]1[C@H]1COc2cc([N+](=O)[O-])ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJUMUZTONCAMS-GWCFXTLKSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2cc([N+](=O)[O-])ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBQBBNRLQCWIT-QFBILLFUSA-N", "SMILES:CN1CCC[C@H]1[C@H]1COc2ccc(-c3ccccc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBQBBNRLQCWIT-LPHOPBHVSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2ccc(-c3ccccc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHYANMWFAIMESB-GXFFZTMASA-N", "SMILES:CN1CCC[C@H]1[C@H]1COc2ccc(O)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHYANMWFAIMESB-GWCFXTLKSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGERICSLPNAGOM-GXFFZTMASA-N", "SMILES:CN1CCC[C@H]1[C@H]1COc2ccc([N+](=O)[O-])cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGERICSLPNAGOM-GWCFXTLKSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2ccc([N+](=O)[O-])cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWMSQXPQAEDAS-GXFFZTMASA-N", "SMILES:CN1CCC[C@H]1[C@H]1COc2ccc(N)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWMSQXPQAEDAS-GWCFXTLKSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2ccc(N)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQYLGIDTXZHEU-ONGXEEELSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2ncccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1186866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVNDHGGPNSSQH-GWCFXTLKSA-N", "SMILES:CN1CCC[C@H]1[C@@H]1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHOWJTHABRGEON-UHFFFAOYSA-N", "SMILES:CC(NC(=O)Nc1ccc2nnsc2c1)c1cccc(F)c1"]}
{"name": "Bromodomain adjacent to zinc finger domain protein 1A", "xref": ["CHEMBL.TARGET:CHEMBL4105737"], "id": "UniProtKB:Q9NRL2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTRGTBDVGKKRO-UHFFFAOYSA-N", "SMILES:O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZHKRRODMQVURC-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELOOJVLRWOXGP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cncnc2c1)Nc1ccc2nnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXHFGOHDPLZGKH-UHFFFAOYSA-N", "SMILES:NC(C(=O)Nc1ccc2nnsc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANBAZVVWORDIN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYQADGQLRLNPX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2nccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGGGFAQVXHMPDF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1603387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZALBQGCDGAQSA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYZCPIQZWSNDF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nnsc2c1)N(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTGCNCYLWLBMRP-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQNVINFEPDDQG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUSUAWULNXMGF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2nnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCSRRIVBUVMNE-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXZYUJWBKISZEK-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)Nc1ccc(-c2nc3cc(NC(=O)C(=C)C)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJRJAZDAWUSWRK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULFPINBDYNFTEP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCCCNC(=O)/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCVCSRHBKQNPOT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCCCNC(=O)/C(=N/O)Nc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIQUOMVFFCHZDM-UHFFFAOYSA-N", "SMILES:NC(=O)/C(=N/O)Nc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSMNWZYUMDTHO-XLIONFOSSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CC[C@H](c2ccnc3ccc(F)cc23)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQISZUATRCXAD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSBONFUMRLZXNF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(Cl)c1)C(=O)N1CCC(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIBXJIHWLGMCBW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)COc1cc(C(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBRJGLBPSMKQT-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(=O)C(=O)Nc2ccc(Cl)cc2)CCC1c1ccnc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGANSMIWYRCQFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1F)C(=O)N1CCCC(c2ccnc3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTYDVZFWKZLEQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccnc3cc(F)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKPHIATJBPVLJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFHNVGHDQLSPB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)C(=O)N2CCC(c3ccnc4ccc(F)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPWNJZTONWORY-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Cl)c1)N1CCC(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXEXKOOAUOZLCL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CCCC2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIDYDKYDNYKZBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJFWKJSEROVQOM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC2(CC1)COc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSMNWZYUMDTHO-PXNSSMCTSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CC[C@@H](c2ccnc3ccc(F)cc23)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSMNWZYUMDTHO-YLJYHZDGSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CC[C@H](c2ccnc3ccc(F)cc23)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSMNWZYUMDTHO-FXAWDEMLSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CC[C@@H](c2ccnc3ccc(F)cc23)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGHKLARIHEXST-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)C(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGYGTIAFIHLGOW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1F)C(=O)N1CCC=C(c2ccnc3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDOVTBKENFSPN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2ccnc(C(F)(F)F)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOBOQNBNCLXBQZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYKQGLMEABYAV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2ccnc3ccnn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITAJPBIHARGEQO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2nccc(C3CCN(C(=O)C(=O)Nc4ccc(Cl)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACSCJMHASTSCM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccnc3ccc(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYCCTOFAASPOCV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZZZEJJXQQRZBH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)F)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBRYWFZUOHTANK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1F)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWRWBSYRGSWIQ-IYBDPMFKSA-N", "SMILES:O[C@H]1CC[C@@H](Oc2cccc3cnc(Nc4ccc5nc[nH]c5c4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGMHAWAUDNFTL-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(-c3cnc4[nH]cc(-c5cc(C#N)c(Cl)c(NS(C)(=O)=O)c5)c4c3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJDPTCKWIYGQX-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(-c2cnc3[nH]cc(-c4cc(C#N)cc(NS(C)(=O)=O)c4)c3c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVOYREAYRKCTIT-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccc(-c2cnc3[nH]cc(-c4cc(C#N)cc(NS(C)(=O)=O)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIWPPJPEZGTDF-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cc(C#N)c(Cl)c(NS(C)(=O)=O)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZXIUBPLNDUSP-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(=O)(=O)C6CC6)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHUINVCDPOTOD-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVQTJOYDXXPRI-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cc(C#N)c6[nH]ncc6c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3102859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEPUZVUZPLZMS-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCOOOSNZJTJIQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3[nH]cc(-c4cc(C#N)c(Cl)c(NS(C)(=O)=O)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTTRGRZSSXZBOA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYOYOTGOZCACNR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cc(C#N)cc(-c2c[nH]c3ncc(-c4cccc(C(=O)N5CCCCC5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEUHSXGSKRIJPH-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2cccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSQJUWXHIYGERV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cc(C#N)cc(-c2c[nH]c3ncc(-c4cccc(C(=O)N5CCCC5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBRJODZZTNGZGH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cc(C#N)cc(-c2c[nH]c3ncc(-c4cccc(C(=O)NC5CC5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZTGRQHEQPRNPQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3[nH]cc(-c4cc(C#N)cc(NS(C)(=O)=O)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUMYFDACXBDAN-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTYUGFCLPBBQC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCISNFWXACKDOO-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cnc6[nH]ncc6c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJMIBPPNVCETDA-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]cnc6c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWJSBHSWVMKBER-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ncc6c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJMKJIVHARDBTI-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cccc6ccccc56)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTAJGRVKGDYLN-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc(NS(C)(=O)=O)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCTYLGNLQBHPC-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cccc(NS(C)(=O)=O)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZOVOVZVUCHSOV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2c[nH]c3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNJBQVWROOEDN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2c[nH]c3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSIFXYJSPWCAPJ-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cccc(C(=O)N(C)C)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZTRUOXHZVQSKY-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cccc(N)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYNMZIMOLOPERA-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cccc(C#N)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPZVZQEPMOPLN-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc(F)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGBLPAAEISNBQU-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc(Cl)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFYNOWRQQZDOJE-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccccc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCEDGRTWDSHZHF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1208974", "category": ["biolink:ChemicalEntity"], "name": "SALACINOL", "xref": ["InChIKey:SOWRVDSZMRPKRG-YRPOCYRVSA-N", "SMILES:O=S(=O)([O-])O[C@@H](CO)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4754034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQTCDWQVXWUGAT-YQDOTSTCSA-M", "SMILES:CCCC[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFKBVCWTZLDUDE-GVGAEFNLSA-M", "SMILES:CCCCCCCCCCCCCC[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJLCKDOVZSZKD-RNKZVEHQSA-M", "SMILES:CCCCCCCC[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684162", "category": ["biolink:ChemicalEntity"], "name": "NEOSALACINOL", "xref": ["InChIKey:RPLSMILMVIUFAQ-DORWBKLESA-N", "SMILES:[O-][C@@H](CO)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKUMDDRJUIBDF-YBBYGNOVSA-N", "SMILES:CCC[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHIFPPFBSVILRO-ZJYXFHITSA-N", "SMILES:CCCCCC[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYRYARWUVMEZJU-MYLNUNAHSA-N", "SMILES:CCCCCCCC[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBJDBAPGFFSDN-VGXWSDCJSA-N", "SMILES:CCCCCCCCCC[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSBNQBGMNWJFX-YQRUKCSPSA-M", "SMILES:CCCCCCCC[C@@H](O)[C@H](O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO.CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPOIPHOFYCMWIB-IFFVPAILSA-M", "SMILES:CCC[C@@H](O)[C@H](O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO.CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBRKMOHDGFGXLN-UHFFFAOYSA-N", "SMILES:O=C(O)C1CC1C(=O)c1ccc(Cl)c(Cl)c1"]}
{"name": "Kynurenine 3-monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL2145"], "id": "UniProtKB:O15229", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091152", "category": ["biolink:ChemicalEntity"], "name": "GSK-065", "xref": ["InChIKey:WPAHVUADNLXSOM-SNVBAGLBSA-N", "SMILES:C[C@@H](Oc1cc2onc(CCC(=O)O)c2cc1Cl)c1ccccn1"], "synonym": ["Gsk-065", "Gsk3335065", "GSK-3335065", "GSK065"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYCDJHEVASOGW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(Cl)c(OC3CC3)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPGZXIKOLUMCR-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ncc(-c3cccc([N+](=O)[O-])c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOLQRQDGVAUHB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2nc(CN3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)s2)cc1"]}
{"name": "Kynurenine 3-monooxygenase", "xref": ["CHEMBL.TARGET:CHEMBL3407318"], "id": "UniProtKB:Q91WN4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZXIGFIHWADFB-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(C)c1Cl)N(CC(=O)O)C(=O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLWFDQDWQFYUNV-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3N3CCCC3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKJBEJFOVTNBF-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4c3N(C)CC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWCHXFUFLELFB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3N3CCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPYJEIZESSMVDR-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3N3CCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDOSUKCIPXDELO-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDCPNJKIPMIGM-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHIPCGFLKFIEKL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4ccncc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTGXPMJSEBIRGK-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4cccnc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJQUAPWDFMKME-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4ccn(C)c34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGDUTIRVGJUGN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3N3CCOCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMUUXATLZULPS-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3N(C)C)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFFWPEPSMIPLHO-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(N(C)C)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIOIVYCVSYWBW-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N(C)C)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLUYVFIYGFIGV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccccc1S(=O)(=O)Nc1ccc(-c2cccc(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKVCGSBNYNGDK-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(S(=O)(=O)Nc2ccc(-c3cccc(Cl)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVMDNCXMKAMMN-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFABSSWBUEZDT-UHFFFAOYSA-N", "SMILES:Cc1cccc(S(=O)(=O)Nc2ccc(-c3cccc(Cl)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVZVCXMHUGMIG-HSZRJFAPSA-N", "SMILES:Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cc(=O)n1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKSWQDZGGRHMR-HSZRJFAPSA-N", "SMILES:Cc1c(F)ccc(-n2c(C)nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)c(C)c2=O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPFRFGMVKUJHR-JOCHJYFZSA-N", "SMILES:Cc1c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc(C)n(-c2ccc(F)c(Cl)c2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUGKYOHXIBHOS-OAQYLSRUSA-N", "SMILES:Cc1c(N2CCC3(CC2)Oc2ccccc2[C@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFHWVKLJXFEKJX-JOCHJYFZSA-N", "SMILES:Cc1c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAFKERZWLWHED-NRFANRHFSA-N", "SMILES:Cc1c(N2CCC3(CC2)Cc2ncccc2[C@@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUOJPXHYBNVRJ-NCPGKPPMSA-N", "SMILES:[2H]c1ccc2c(N3CC4CN(c5ncc(N6CCOC[C@H](N)C6)cc5C)CCN4[C@@H](C)C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMEOTYMBSBSSBJ-NFTGSQTNSA-N", "SMILES:[2H]c1ccc2c(N3C[C@@H]4CN(c5ncc(N6CC7(CC(N)C7)C6)cc5C)CCN4[C@H](C)C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPHHNWILYSFFFK-NQIIRXRSSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(c3cncc4c3CCNC4)CCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPHHNWILYSFFFK-WIYYLYMNSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H]2CN(c3cncc4c3CCNC4)CCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJZLHHIJBJNNG-RTOPKKFASA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(CCc3ccc(N4C[C@@H](N)[C@@H](F)C4)nc3)CCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWCOLPRDAQZXDZ-KNQAVFIVSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(c3cccc4c3CCNC4)CCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRIXVDLWVWCQCE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUQRSPUDDOQPA-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)O)n4)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJGTHUGKOWPOQ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1cn(C)nc1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLCXBPBZTTWEPM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMUNQZHFLKTEG-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1oc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCJLOAZRXDFEQV-UHFFFAOYSA-N", "SMILES:CCCN1c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2N(C)C(=O)c2nc(C)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRBJJPXTVPMZGH-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(CC(F)(F)F)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBCMBDNJISPETG-UHFFFAOYSA-N", "SMILES:CCN1c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2N(C)C(=O)c2nc(C)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKNKSZOSSEFRO-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2nc(C)sc2N(C)c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBWMAQBZMDRVON-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C(F)(F)F)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGOMKSBPCPRUQS-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C(C)C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTBNICBEKLLINO-UHFFFAOYSA-N", "SMILES:CCc1nc2c(s1)N(C)c1nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc1N(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQGPZJVNFUTOCV-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1scnc1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUOGVKWIUUARSL-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDWKUOYANGWVGY-UHFFFAOYSA-N", "SMILES:Cc1nc2c(s1)N(C)c1nc(Nc3cnn(C)c3)ncc1N(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMQBPIGGMNFQTI-UHFFFAOYSA-N", "SMILES:Cc1nc2c(s1)N(C)c1nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc1N(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGUXAIKJQKAGX-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCN(C)C)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUYQJBOKORLRU-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCO)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEIYMDXGPHGJPS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(n1)N(C)c1sc(C)nc1C(=O)N3C)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKBJWNNUHKLOV-UHFFFAOYSA-N", "SMILES:Cc1nc2c(s1)N(C)c1nc(Nc3ccc4c(c3)CCC(=O)N4)ncc1N(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLBKOIMLXBRNM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc3c(n2)N(C)c2sc(C)nc2C(=O)N3C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUHHYUXPCKSKU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc3c(n2)N(C)c2sc(C)nc2C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVACUIRDWYPQGU-UHFFFAOYSA-N", "SMILES:Cc1nc2c(s1)N(C)c1nc(Nc3ccc(N4CCN(C)CC4)cc3OCCO)ncc1N(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVAKEFGUPSUTBR-UHFFFAOYSA-N", "SMILES:CCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYRBVSSGYYZEKF-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJEDIJLVQUVBGP-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)c(C)cc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPBVBBKKDPZRAS-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYBVSDATCCGAR-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIQWSCPTVRVOGE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2=O)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQAAYQVBJUQXRF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCNCC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABLQLMUUSBTKNH-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(C)nc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQQFHBCWBFDEF-NTEUORMPSA-N", "SMILES:O=C(NCCS)/C(Cc1ccc(O)c(Br)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMXYMOWDNOBGHN-ZXVVBBHZSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUPMRJFAZHVKS-NLRVBDNBSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILXMUXRWOPNIM-GZTJUZNOSA-N", "SMILES:O=C(CCCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMZBLXWARDASQB-KOEQRZSOSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBYLHAKGMXBDP-RIYZIHGNSA-N", "SMILES:O=C(CNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXORZXPRQFJSRU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3ccc([N+](=O)[O-])cc3O)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABVTGLCOLQTFS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWCGSBPPIXXSMV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFUSTVDUMVZFDE-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1NC(=O)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWMNJHUNNCCAH-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLIJDWJFSSGOI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTXJIMSRRTAQM-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSPHUUFXPUPJJ-GWVFRZDISA-N", "SMILES:OC[C@@H]1[C@H](O)[C@H](O)[C@]2(O)CC[C@H]1N2"]}
{"name": "Galactocerebrosidase", "xref": ["CHEMBL.TARGET:CHEMBL2218"], "id": "UniProtKB:P54818", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQKYZJDPLYFSSX-GWVFRZDISA-N", "SMILES:OC[C@@H]1[C@H](O)[C@H](O)[C@@H]2CC[C@H]1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEVRIMXMUOQIOW-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cccc12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYBDCUOHFJNWKW-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2cccc(F)c2)nc2c(-c3cccs3)cccc12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDANRGZMMRXYHK-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2c(-c3cncs3)cccc12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJCSSURXYITEW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(-c4cccs4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQNFCXHCHSFOI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(C(=O)N3CCOCC3)c3cccc(-c4cccs4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPLSVZYVWADIRE-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cccc12)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBEYIRLBIMQZPF-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cncc12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLXGWHPOLFTVRS-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2cccnc2)nc2c(-c3cccs3)cccc12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDRBQSNUHJQHP-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2c(N3C(=O)c4ccccc4C3=O)cccc12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRQYABRYDTXPD-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2c(C#Cc3ccccc3)cccc12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWIUAHABULBNW-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2c(-c3ccccc3)cccc12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMFVLVKVBTNBA-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(C(=O)N3CCOCC3)cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAZBKJYWYYECH-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cccc12)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPAURQXRWWTAGL-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc(-c3ccn(C4CCNCC4)n3)c3cccc(-c4cccs4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOBPFFPBFQPDBE-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2c(CCc3ccccc3)cccc12)N1CCOCC1"]}
{"name": "Cereblon isoform 4", "xref": ["CHEMBL.TARGET:CHEMBL3763007"], "id": "UniProtKB:A4TVL0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:55518"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3137312", "category": ["biolink:ChemicalEntity"], "name": "DASABUVIR", "xref": ["InChIKey:NBRBXGKOEOGLOI-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C"], "synonym": ["Dasabuvir", "Dasabuvir", "Dasabuvir", "Dasabuvir", "Dasabuvir", "ABT-333", "Dasabuvir"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL275661", "category": ["biolink:ChemicalEntity"], "name": "SUCCINIMIDE", "xref": ["InChIKey:KZNICNPSHKQLFF-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)N1"], "synonym": ["Succinimide", "NSC-11204"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL122334", "category": ["biolink:ChemicalEntity"], "name": "HYDANTOIN", "xref": ["InChIKey:WJRBRSLFGCUECM-UHFFFAOYSA-N", "SMILES:O=C1CNC(=O)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4758352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHYBFKMFHLPQPH-UHFFFAOYSA-N", "SMILES:CN1CC(=O)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1958109", "category": ["biolink:ChemicalEntity"], "name": "THIOHYDANTOIN", "xref": ["InChIKey:UGWULZWUXSCWPX-UHFFFAOYSA-N", "SMILES:O=C1CNC(=S)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVYKDNGUEZRPGJ-UHFFFAOYSA-N", "SMILES:NN1CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989934", "category": ["biolink:ChemicalEntity"], "name": "AVADOMIDE", "xref": ["InChIKey:RSNPAKAFCAAMBH-UHFFFAOYSA-N", "SMILES:Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O"], "synonym": ["Avadomide", "Avadomida", "Avadomide", "CC-122", "CC122", "Avadomide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBCXJKGHPABGSD-UHFFFAOYSA-N", "SMILES:Cn1ccc(=O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4759876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILMINFWXULDNN-UHFFFAOYSA-N", "SMILES:Nn1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPGFFJPUFNKAFY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccc(-c3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZAPGUSNOSNGF-DHZHZOJOSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(C(C)C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDXAZAQNPAFAZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCN(c3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNGNWHDUJIBOF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC2(CCN(c3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZDVTLVICWAFR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVDKQTYITWXIQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccc(-c3nc(Nc4cc(C5COC5)[nH]n4)cc(N4CCN(C)CC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWJDYHIBQQWFTB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccc(-c3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHIGBIGJIDWVOR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccc(-c3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEBWNWVAJXFTBY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(c2ccc(-c3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYOOEVQIQLPAKX-JXMROGBWSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2cc(Nc3cc(C)[nH]n3)nc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDWTPVGKQWXNG-JXMROGBWSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFQLZUKJOAHLP-CMDGGOBGSA-N", "SMILES:C=CC(=O)Nc1cccc(/C=C/c2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGEBDSBRZUARNY-AATRIKPKSA-N", "SMILES:C=CC(=O)NC12CCC(/C=C/c3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCIIDXTBBYDTL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(CCc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYSGVBUPDNTML-DHZHZOJOSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cn(C(C)C)cn3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBSDXFPERVYQDL-DHZHZOJOSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3ncc(C(C)C)s3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDOCDWKQVMOLLD-JXMROGBWSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3ncc(C)s3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVPCYSGKBDENB-RMKNXTFCSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(C4COC4)[nH]n3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXBOYPMAXNKWLR-JXMROGBWSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(COC)[nH]n3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZNJUVXWRLTOBT-DHZHZOJOSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(CC(C)C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLYEBDKQHARIO-FMIVXFBMSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(C(C)(C)C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSAMANQENELCZ-IZZDOVSWSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRQGADAAASFLQJ-DHZHZOJOSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(CC)[nH]n3)cc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSJMNXXZYVFSJQ-HVRNLMOBSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSJMNXXZYVFSJQ-PSWJWLENSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKWJFYTWCUVRPG-SSNHPIBPSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKWJFYTWCUVRPG-UYEZAFAQSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGDUVZCMXVPBFU-YGXYGYJOSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGDUVZCMXVPBFU-FWGCVNADSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBLMJXPJVZLBMB-JCCQREKTSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBLMJXPJVZLBMB-HYVPQZRVSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYRLPGKCVVVEL-SSNHPIBPSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYRLPGKCVVVEL-UYEZAFAQSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEXJVRPYTRBUSR-IHZBLBIESA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEXJVRPYTRBUSR-GASGPIRDSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETGYUUKUUDNBY-QEGGNFSNSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHZBDJFVGOEGSD-QEGGNFSNSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKVQYDAJUEJHW-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBJWCVSRMYIAA-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKRWTOIBYHOIY-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOc2ccccc2Cl)sc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHFXJTDUJSSVJC-UHFFFAOYSA-N", "SMILES:COCCNC(=O)Nc1nc(C)c(C#Cc2ccncc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWRARCDBCXZJU-UHFFFAOYSA-N", "SMILES:CCOCCNC(=O)Nc1nc(C)c(C#Cc2ccncc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWRYBMTZPPMGJG-UHFFFAOYSA-N", "SMILES:CCCOCCNC(=O)Nc1nc(C)c(C#Cc2ccncc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLAXZOBGRHVCCF-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCCC(C)(C)C)sc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLNDVOEDRYMSE-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTHFYZOAZWSKSJ-UHFFFAOYSA-N", "SMILES:COc1cncc(C#Cc2sc(NC(=O)NCCOCC3CC3)nc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXINHUNNPLATCI-UHFFFAOYSA-N", "SMILES:COc1cc(C#Cc2sc(NC(=O)NCCOCC3CC3)nc2C)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLCEAQXUPZICS-UHFFFAOYSA-N", "SMILES:COc1cc(C#Cc2sc(NC(=O)NCCOCC3CC3)nc2C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPMHACRLXFBWDS-UHFFFAOYSA-N", "SMILES:COc1cccc(C#Cc2sc(NC(=O)NCCOCC3CC3)nc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSLXFOOQISQSAJ-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BABAEGAUFYJZEJ-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYRCFZGJRAQKZ-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc(C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCXWWXQKJQYGSH-UHFFFAOYSA-N", "SMILES:COc1ncc(C#Cc2sc(NC(=O)NCCOCC3CC3)nc2C)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LISJZJNFNBTSBT-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCTFYANDQMYEIS-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSBRXTBEKJPMLK-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANKLTIPXBLFAY-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLKRAGMIZODNTH-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cnc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMWZHPCZUMHPGY-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cnc2nccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNKQPHTCRYIHQ-CYBMUJFWSA-N", "SMILES:Cc1nc(NC(=O)N[C@H](C)COCC2CC2)sc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNKQPHTCRYIHQ-ZDUSSCGKSA-N", "SMILES:Cc1nc(NC(=O)N[C@@H](C)COCC2CC2)sc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCBGWQDHLDMPA-CYBMUJFWSA-N", "SMILES:Cc1nc(NC(=O)NC[C@@H](C)OCC2CC2)sc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCBGWQDHLDMPA-ZDUSSCGKSA-N", "SMILES:Cc1nc(NC(=O)NC[C@H](C)OCC2CC2)sc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIXITNFFHIALQ-AWEZNQCLSA-N", "SMILES:Cc1cncc(C#Cc2sc(NC(=O)NC[C@H](C)OCC3CC3)nc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZANXNDKKYVVMJ-AWEZNQCLSA-N", "SMILES:Cc1cc(C#Cc2sc(NC(=O)NC[C@H](C)OCC3CC3)nc2C)cnc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZSBUCMKQZQGT-ZDUSSCGKSA-N", "SMILES:COc1cc(C#Cc2sc(NC(=O)NC[C@H](C)OCC3CC3)nc2C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREFRLFRXGNNSQ-AWEZNQCLSA-N", "SMILES:Cc1nc(NC(=O)NC[C@H](C)OCC2CCC2)sc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRXJVBUFIDUHSS-GIDUJCDVSA-N", "SMILES:C/C(C=O)=C\\CCP(=O)(OCOC(=O)C(C)(C)C)Oc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOVQWAWAKVRBP-CAOOACKPSA-N", "SMILES:C/C(C=O)=C\\CCP(=O)(OCOC(=O)C(C)(C)C)Oc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMDFLUKVLRMRRY-NTEUORMPSA-N", "SMILES:C/C(C=O)=C\\CCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCXOUDROHZKOSX-OVCLIPMQSA-N", "SMILES:C/C(C=O)=C\\CCP(=O)(NCC(=O)OC(C)C)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWANSVFHUNDEY-RIYZIHGNSA-N", "SMILES:CCOC(=O)CNP(=O)(CC/C=C(\\C)C=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRBUGSHVZLCCQL-NTUHNPAUSA-N", "SMILES:COC(=O)CNP(=O)(CC/C=C(\\C)C=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKFPOCIWGRVMP-MSZALURUSA-N", "SMILES:CCOC(=O)CNP(=O)(CC/C=C(C)/C=N/O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOQVDZUQSCQTBB-GIDUJCDVSA-N", "SMILES:C/C(=C\\CCP(=O)(OCOC(=O)C(C)(C)C)Oc1ccc2ccc(=O)oc2c1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZIPLFATSZSGBL-RRHCXGJISA-L", "SMILES:C/C(=C\\CCP(=O)([O-])[O-])CO.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVHIBHBDCYLDI-HNNXBMFYSA-N", "SMILES:Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRZEMUOCWKWPZ-UHFFFAOYSA-N", "SMILES:CCC(C)n1c(=O)c(N2CCN(C)CC2)nc2cnc(N(C)C3CCCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRZLWEPJKYOTMH-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3nc(-c4ccc(O)cc4C)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCPHQXYXHNNIRI-HNNXBMFYSA-N", "SMILES:CNS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXMJJXJUBYEROS-HNNXBMFYSA-N", "SMILES:CCS(=O)(=O)c1cnc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQZJKYXPOLRGT-INIZCTEOSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJNTKBAAJLZRH-INIZCTEOSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGCBUHCNTNDCGG-ZDUSSCGKSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@@H](C)C(F)(F)F)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWORTORILMZIS-OAHLLOKOSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H](C)C3CC3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWORTORILMZIS-HNNXBMFYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSACVSUKUQBSN-OAHLLOKOSA-N", "SMILES:CC[C@@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(OC)ncnc3C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIGKBDRHXWMIII-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDMUNWMIACNJV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOJVINDXUAZELV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4cncnc4C(C)C)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPROXTXQHGNMP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)N2CC(C)(C)c3nc(-c4c(OC)ncnc4C4CC4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCGQNCJLJMSYMR-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(CNC(=O)c2cnc(OC)c3c2cnn3-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOAZTCUVUWUDSL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(-c3ccccc3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJXGDBDTYQAVGM-HNNXBMFYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@@H](C)COC)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVXOKNSCBKFRN-OAQYLSRUSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H](C3CC3)C(F)(F)F)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCNFUZSEJLGGX-MRXNPFEDSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H](C)C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCNFUZSEJLGGX-INIZCTEOSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@@H](C)C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEWASVJPSBUQN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C(C)(C)O)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZLUKYYPAYOKPB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C3CCC3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVGRJZNOZHYTFO-MRXNPFEDSA-N", "SMILES:CCC[C@@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(OC)ncnc3C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFIHRJOQVISSJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(CC(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSACVSUKUQBSN-HNNXBMFYSA-N", "SMILES:CC[C@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(OC)ncnc3C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCSNEFALAWPWET-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C(C)(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLWDLSCJRAHDF-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(OC)ncnc3C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBCPWWVVFHGLU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4ccc(F)cc4C)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTGWVGKIXKHJU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4nccnc4C4CC4)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYWAFDKOOKXSS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ccc5ncccc45)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDBLWDBBWTLMC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC(C)C)ncnc4C4CC4)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWVWBSVANGLBC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)nc(N)nc4C4CC4)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJGSZBUDJPDAX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4OC)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOLLZCIXNWPMG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C5CC5)ncnc4C4CC4)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGXNHQIHCENOA-UHFFFAOYSA-N", "SMILES:CCc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)CC)cn3)c(=O)n(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVXEWSCOJOXTA-HNNXBMFYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3nnc(-c4c(OC)ncnc4C4CC4)cc3n([C@@H](C)C3CC3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSJPMBLQKBHAY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3ncc(-c4c(OC)ncnc4C4CC4)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQHXVBHJBPICK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3ncc(-c4c(OC)ncnc4C4CC4)cc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPSTBVKYLLGIH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)cc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADULTFGLUXZKJH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3ccc(-c4c(OC)ncnc4C4CC4)nc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNLUXIZINMPUOY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3ccc(-c4c(OC)ncnc4C4CC4)cc3n(C(C)C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPKOKIMGBEFLS-HNNXBMFYSA-N", "SMILES:Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(C(N)=O)cc3)c(=O)n([C@@H](C)C3CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUVDDHNABWVDOK-DOWVISPRSA-N", "SMILES:Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc([S@@](C)(=N)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILKRYSYMBZSZDW-AWEZNQCLSA-N", "SMILES:Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(N)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXSJJZKNIGODLJ-QBZNRNCCSA-N", "SMILES:CCS(=O)(=O)C1CC2(CC(CNc3nc4cnc(-c5c(C)ncnc5C5CC5)nc4n([C@@H](C)C4CC4)c3=O)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNZNXXQAUKSFTE-KRWDZBQOSA-N", "SMILES:CCS(=O)(=O)N1CCC(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQNNZZGWZKACG-AWEZNQCLSA-N", "SMILES:Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3cnc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKWAFCIHQUXAW-AWEZNQCLSA-N", "SMILES:CCS(=O)(=O)c1cnc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPNYIKJLEGXDIU-INIZCTEOSA-N", "SMILES:Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(C)(=O)=O)cc3)c(=O)n([C@@H](C)C3CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUWJIIXKUHDQV-HNNXBMFYSA-N", "SMILES:Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(C)(=O)=O)nc3)c(=O)n([C@@H](C)C3CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTHKDCVVIPNFMU-INIZCTEOSA-N", "SMILES:Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)C4CC4)cn3)c(=O)n([C@@H](C)C3CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMYCGFXMCDDHSG-KRWDZBQOSA-N", "SMILES:CCCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWYANDGYZVVAK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCZMXNBMLMZLIY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201203", "category": ["biolink:ChemicalEntity"], "name": "BENZTROPINE", "xref": ["InChIKey:GIJXKZJWITVLHI-PMOLBWCYSA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2"], "synonym": ["Benzatropine", "Benzatropine", "Benzatropina", "Benztropine", "Benzatropine", "Benztropine", "Cobrentin", "NK-02"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4742997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZGGNJJLMUGKL-SFHVURJKSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZGGNJJLMUGKL-GOSISDBHSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVGMYKDXQSJGG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CC3CCC2CN3C(=O)CCS(=O)(=O)c2cccc3ncsc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHYNZQYATBJQGH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C3COCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMBTWCWMWYIEGP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CC3CCC(C2)N3C(=O)CCS(=O)(=O)c2cccc3ncsc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBVLZXTMDSNSB-HOTGVXAUSA-N", "SMILES:C[C@H]1CN(c2ccc(C#N)cn2)C[C@H](C)N1C(=O)CCS(=O)(=O)c1cccc2ncsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVXNNGXERKUCFJ-HZPDHXFCSA-N", "SMILES:C[C@@H]1CN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)C[C@@H](C)N1c1ccc(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFXJOMFWLIHBW-CVEARBPZSA-N", "SMILES:C[C@@H]1CN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)CN1c1ccc(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZVRMFDDKCSOU-UHFFFAOYSA-N", "SMILES:CC1(C)CN(c2ccc(C#N)cn2)CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIGJOEOOTHOPLI-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CCN1c1ccc(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITGBBSEPQMBHB-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccc(C#N)cn2)CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDNDQRDAGBOELI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSMYZIJYNWFOMF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2=CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJQRMPTLPHXJG-UHFFFAOYSA-N", "SMILES:Cc1ccncc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHKRESSFGQOMT-UHFFFAOYSA-N", "SMILES:O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccc(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPZZTOTVRAVJL-UHFFFAOYSA-N", "SMILES:O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOMABYGDYZTPQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCYHZNPSXFPJLF-UHFFFAOYSA-N", "SMILES:O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccnc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRRIFPAQELYTCF-UHFFFAOYSA-N", "SMILES:Cc1cncc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USFIRLUHZJDBHV-UHFFFAOYSA-N", "SMILES:O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccncc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFHXZSGBONCGY-INIZCTEOSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRLNFSMLJOJOD-HNNXBMFYSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZLNIWLGOCEOA-HNNXBMFYSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CNCc2cccc3ncsc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWDWWLCRXNEMP-HNNXBMFYSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)COCc2cccc3ncsc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFPYEPCXAZYOY-HNNXBMFYSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3nc(N)sc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKMRYJJAVZSDI-INIZCTEOSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncoc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYQUBNPJRHAKF-INIZCTEOSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncsc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCIJFRLCJHZOHO-SFHVURJKSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncc(CO)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKKMSUKSNWSAW-KRWDZBQOSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncncc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEHKFHCZKXDXEL-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cnc1N1CCCN(C(=O)CCCc2cccc3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFWYDSWGFYERW-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(c2ccncc2Cl)CCN1C(=O)CCCc1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNNTPSJZYFKIY-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(c2ncc(F)cc2Cl)CCN1C(=O)CCCc1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHDVSKYRVJBJPB-LJQANCHMSA-N", "SMILES:Cc1ccncc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRHXEKVFWCPGKW-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cccc2ncccc12)N1CC2CC1CN2c1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZGGNJJLMUGKL-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)C(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZCWGOJJFQHFLG-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccc(F)cn2)CCN1C(=O)CCCc1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCECXOHPPIBWHP-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOAYBZZEUBJAIR-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOGVIISMJBWYEC-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)CCCc2cccc3ncccc23)CCN1c1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHAKCRQNHWEDTL-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cccc2ncccc12)N1CCN(c2ccc(F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLMFBXHZIMJQC-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPURBTWHJGXECR-UHFFFAOYSA-N", "SMILES:N#Cc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCNWFXCXCFAMTE-UHFFFAOYSA-N", "SMILES:N#Cc1cnccc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZEVRYRKBGRMEZ-UHFFFAOYSA-N", "SMILES:O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNVMERGTKCUQM-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIWKRKNCNHXEX-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMFYYLEABBTHR-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2c[nH]c3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKBTUQDWSZYQRW-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncc(-c3c[nH]c4c3CNC4=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQWDJLVWPNOMF-UHFFFAOYSA-N", "SMILES:O=C1NCc2c(-c3cc(F)cc4[nH]ncc34)c[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHODOVGQIJJDRT-UHFFFAOYSA-N", "SMILES:O=C1NCc2c(-c3cnc4[nH]cc(Cc5ccccc5)c4c3)c[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVTQCOUVBMODTI-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTOUTWLHQLMREW-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cc1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNDZMYHGWLSAGJ-UHFFFAOYSA-N", "SMILES:Fc1cccc(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNHYKEIIJAKBHQ-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBPKSTXLXBYNF-UHFFFAOYSA-N", "SMILES:C=C(C)c1cn(-c2cc(F)ccc2C)c(=O)c2cc(F)c(-n3nc(CO)n(CC)c3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFFHWUYAMOGJEU-UHFFFAOYSA-N", "SMILES:C=C(C)c1cn(-c2ccccc2F)c(=O)c2cc(F)c(-n3nc(CO)n(CC)c3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGGHCQZOWTYLX-UHFFFAOYSA-N", "SMILES:C=C(C)c1cn(-c2c(F)cccc2Cl)c(=O)c2cc(F)c(-n3nc(CO)n(CC)c3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJTDLDPTJSRNTH-UHFFFAOYSA-N", "SMILES:C=C(C)c1cn(-c2c(F)ccc(OC)c2Cl)c(=O)c2cc(F)c(-n3nc(CO)n(CC)c3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZKHQYHQHLKJNX-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4ccccc4C)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIAAFQOLGVGLEY-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4c(F)cccc4Cl)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFUZTRJZDWWPG-HWLDZIHSSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(Cl)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHFPFWYMCULAM-HWLDZIHSSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3ccc(Br)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTLFDRFGHDOZAU-HWLDZIHSSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(F)c3Cl)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUCYOUPEAATQR-VLZGJKPMSA-N", "SMILES:CCS(=O)(=O)c1ccc(Cl)cc1N(C)C(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZJVCBTCCGZTI-HWLDZIHSSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFOYPGLCAPECCY-SUHOFRIBSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVOURSTUXWJQT-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2)c2c1CC(NCCc1ncc[nH]1)CC2)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCNLUAYPIKAKTI-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2)c2c1CC(N1CCc3ccccc3C1)CC2)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROLXOEHRUAXQAP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCNC2CCc3c(c(C(=O)N4CCCCC4)nn3-c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVNMVPHDYXYAT-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2)c2c1CC(NCC1CCOCC1)CC2)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWFSFIMXGLRDOP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCNC2CCc3nn4c(c3C2)C(=O)NCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOWQRUDNKBCDRB-UHFFFAOYSA-N", "SMILES:CN1CCn2nc3c(c2C1=O)CC(NCc1ccc(F)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUFGTOCPBVIBM-UHFFFAOYSA-N", "SMILES:O=C1NCCn2nc3c(c21)CC(NCCc1ccc2c(c1)OCO2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESXATNWSLYJRA-UHFFFAOYSA-N", "SMILES:CCCn1nc(C(=O)N2CCCCC2)c2c1CCN(CCc1cccc(C(F)(F)F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZHZHBUTOYROQ-UHFFFAOYSA-N", "SMILES:CCCn1nc(C(=O)N2CCCCC2)c2c1CCN(CCc1ccc(F)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEEWUMCSAVAPGJ-UHFFFAOYSA-N", "SMILES:CCCn1nc(C(=O)Nc2cccc(OC)c2)c2c1CCC(NCCc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAFNIUVYTSTPJY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)N1CCC(C(=O)/C(=N/O)Nc2ccc(F)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILGNNIWQIVIET-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)C1CCN(S(=O)(=O)Nc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTKNFBGYHLSZLB-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)C1CCN(S(=O)(=O)NCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYTXWYGVSLIGS-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)C1CCN(C(=O)NCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSCFYQVPHNZVGU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)N3CCC(C(=O)/C(=N/O)Nc4ccc(F)c(Br)c4)CC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQHRWAQCVMFJPK-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)C1CCN(C(=O)Nc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOXJNMCHVIIQGM-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)C1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLWOPVLPVAICRX-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)C1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBRKREBWIYCRGR-SHTZXODSSA-N", "SMILES:O=C(NC[C@H]1CC[C@H](C(=O)/C(=N/O)Nc2ccc(F)c(Br)c2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQBYJDYCBEATA-HDJSIYSDSA-N", "SMILES:O=C(Nc1ccccc1)[C@H]1CC[C@H](C(=O)/C(=N/O)Nc2ccc(F)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACNMRZHJSQIJAG-CTYIDZIISA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)[C@H]1CC[C@H](NS(=O)(=O)Nc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFFNWLNMNQWQGN-MGCOHNPYSA-N", "SMILES:NS(=O)(=O)NC[C@H]1CC[C@H](C(=O)/C(=N/O)Nc2ccc(F)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOOSJHOQIJFCTF-UHFFFAOYSA-N", "SMILES:O/N=C(/CC1CCCCC1)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYPUUBCOWKNLAI-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHGVBMHZOESRK-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXJLEDBYMYFPHL-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOAZDLNPJRWJGK-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPKUGJMEEMFIAF-UHFFFAOYSA-N", "SMILES:O=C(/C(=N/O)Nc1ccc(F)c(Br)c1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBYCTNYAFQZOT-UHFFFAOYSA-N", "SMILES:COC(=O)C1COC(SCc2ccccc2CCc2ccccc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKGVOKOVPKPOQ-UHFFFAOYSA-N", "SMILES:O=C(SCCc1ccc(O)cc1)SCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJIQGKPSGKBZSY-UHFFFAOYSA-N", "SMILES:Cl.NCCSC(=O)SCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRUGTUOTHKKNBO-UVTDQMKNSA-N", "SMILES:CS/C(=N/C#N)SCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYNUOMHBWFKAH-BENRWUELSA-N", "SMILES:CS/C(=N/C#N)SCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLQQTEJJLRZQBF-UHFFFAOYSA-N", "SMILES:COc1ccc(CCSC(=O)SCc2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUYIERFVXDULPX-UHFFFAOYSA-N", "SMILES:O=C(SCCc1ccc(CO)cc1)SCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQCHQAIVRVJAJ-UHFFFAOYSA-N", "SMILES:O=C(SCCc1ccc(O)cc1)SCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOLANFKXSXBWLR-UHFFFAOYSA-N", "SMILES:O=C(SCCc1cccc(O)c1)SCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXMZTDKTCCMJQG-UHFFFAOYSA-N", "SMILES:O=C(SCCc1cccc(O)c1)SCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXRZFZXKYWJGLB-UHFFFAOYSA-N", "SMILES:O=C(SCCO)SCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMWHIFLWHGPZCJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCSC(=O)SCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIIOKAZKMVEDGD-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCOC(=O)SCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOAXBFQZWDHJN-UHFFFAOYSA-N", "SMILES:Cl.NCCOC(=O)SCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGYBHHEZZQULB-UHFFFAOYSA-N", "SMILES:Cl.NC(COC(=O)SCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBJFXSWWZKLPIU-UHFFFAOYSA-N", "SMILES:Cl.NC(COC(=O)SCc1ccccc1CCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKELGMVQJLQRJE-UHFFFAOYSA-N", "SMILES:Cl.NCCSC(=O)SCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNCMNMTJKXNHP-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCOC(=O)SCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESUGTUKCCMNQN-UHFFFAOYSA-N", "SMILES:Cl.NCCOC(=O)SCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAAKJPHNXBEVBP-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCC(=O)N4CCN(C(=O)C5CCN(c6ccc(NC(=O)c7cnc(Oc8ccccc8)nc7)cc6)CC5)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTADBDSTGKXZBY-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCC(=O)N4CCN(C(=O)C5CCN(c6ccc(NC(=O)c7cnc(Oc8ccccc8)nc7)cc6)CC5)CC4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSSUSRERAMBTA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)c1cnc(Oc2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZGTANQENITJZ-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)c1[nH]c(C)c(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLUVVTPNKNETOS-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(Oc2ccc(OS(=O)(=O)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXIVOEVZOBHGRF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(Oc2cc(OS(=O)(=O)F)ccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUICQBSNQUGNNJ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(Oc2ccc(OS(=O)(=O)F)cc2OCCn2ccc(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLYRWYDJKQTSQZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(CCOc2cc(OS(=O)(=O)F)ccc2Oc2cc(Cl)cc(C#N)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVIQCYUMLUTRMI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(Oc3ccc(OS(=O)(=O)F)cc3OCCn3ccc(=O)[nH]c3=O)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APNSKFVWPKRLPS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(Oc3ccc(OS(=O)(=O)F)cc3OCCn3ccc(=O)[nH]c3=O)cc(Cl)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIDSVQCCXZSOGZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(CCOc2cc(OS(=O)(=O)F)ccc2Oc2cccn3cc(C#N)cc23)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWXGXNNKRYFSKE-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(Oc3ccc(OS(=O)(=O)F)cc3OCCn3ccc(=O)[nH]c3=O)cc(F)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTKKGHGROGZEFS-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(Oc3ccc(OS(=O)(=O)F)cc3OCCn3ccc(=O)[nH]c3=O)cc(Cl)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGIZBJCOFSILC-OWOJBTEDSA-N", "SMILES:N#C/C=C/c1cc(F)cc(Oc2ccc(OS(=O)(=O)F)cc2OCCn2ccc(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUPMZEQONCTYBJ-OWOJBTEDSA-N", "SMILES:N#C/C=C/c1cc(Cl)cc(Oc2ccc(OS(=O)(=O)F)cc2OCCn2ccc(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZYBPUVTLHJOBL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(Oc2ccc(S(=O)(=O)F)cc2OCCn2ccc(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOARIMBETGLBDC-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(CCOc2cc(S(=O)(=O)F)ccc2Oc2cc(Cl)cc(C#N)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPGWIGXHHBGJC-OWOJBTEDSA-N", "SMILES:N#C/C=C/c1cc(Cl)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOJCHFNHRLPISK-ZACQAIPSSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBCYODPFABASJA-OAGGEKHMSA-N", "SMILES:COc1ncc(NC(=O)[C@H](C)[C@H]2CC[C@@H](c3ccnc4ccc(F)cc43)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEZMCQZDXYRVDR-NJYVYQBISA-N", "SMILES:COc1ccc(C(=O)N[C@H](C)[C@H]2CC[C@@H](c3ccnc4ccc(F)cc43)CC2)cc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHOQRCAAUMCMZ-KURKYZTESA-N", "SMILES:C[C@@H](NC(=O)C1CCCCC1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKLADCUHQUIFY-LGVFNWMJSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQWFQHYSVMVGC-ZACQAIPSSA-N", "SMILES:C[C@@H](NC(=O)c1ccccc1Cl)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJIFVSUGZUYNQT-YAHWUHNVSA-N", "SMILES:C[C@@H](NC(=O)C12CCC(Cl)(CC1)CC2)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQBCPXWUSRXRRH-OKZBNKHCSA-N", "SMILES:C[C@@H](CNC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHYPPWVEYZIST-ZACQAIPSSA-N", "SMILES:C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIVKPWOTSBPMEP-ZACQAIPSSA-N", "SMILES:C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBRGLMSZKMBJP-QRQLOZEOSA-N", "SMILES:C[C@@H](NC(=O)Cc1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGMKPGXMULYDDV-OAGGEKHMSA-N", "SMILES:C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBGCUWGGVHTBIM-ZACQAIPSSA-N", "SMILES:C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELMVNINESROPO-KURKYZTESA-N", "SMILES:C[C@@H](C(=O)NC1CCCCC1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGXTYTUMOTTJU-OKZBNKHCSA-N", "SMILES:C[C@@H](CNc1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQAADDAAHPVKLT-RMJJICAUSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSLBPXOPHCNTLZ-QRQLOZEOSA-N", "SMILES:C[C@@H](NCc1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYWKFZAQBPVIC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(=O)NCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAAVLGXDXOBNI-UHFFFAOYSA-N", "SMILES:CCN(C)c1cc(-c2ccccc2O)nc2nccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZYYQMDXTHSYMO-UHFFFAOYSA-N", "SMILES:O=c1[nH]ccc2nc(-c3ccccc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1550931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCHZHQMOGWAOGA-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWUGEISSJPNWGN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPWZKIADDMJUIF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSSZPOHJPDGRF-UHFFFAOYSA-N", "SMILES:O=c1[nH]ccc2nc(-c3ccc(I)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1464768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLYEGKLYDKKAN-UHFFFAOYSA-N", "SMILES:O=C(CC1SCCNC1=O)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYJJDPBXCFGOQT-UHFFFAOYSA-N", "SMILES:O=C(CC1SCCNC1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REOXVRQZJMCZKK-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)CC1SCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQKUJUMCCPTJON-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)CC2SCCNC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWPAXMXJJARHNG-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CC2SCCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEEHRHHPDCRGCF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CC2SCCNC2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UADRULWGTXCBKG-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)CC2SCCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCIRMIHLIXFLAF-UHFFFAOYSA-N", "SMILES:O=C(CC1SCCNC1=O)Nc1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDIORTWISQORG-UHFFFAOYSA-N", "SMILES:O=C(CC1SCCNC1=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHOBEBLBYGELTK-UHFFFAOYSA-N", "SMILES:O=C(CC1SCCNC1=O)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEQCMAFERVESDG-UHFFFAOYSA-N", "SMILES:O=C(CC1SCCNC1=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1375223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKOSTNQTHPKEQK-UHFFFAOYSA-N", "SMILES:O=C(CC1SCCNC1=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEOSIXNYAKFGJK-JTQLQIEISA-N", "SMILES:COc1ccc(NC(=O)[C@H]2SCCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEOSIXNYAKFGJK-SNVBAGLBSA-N", "SMILES:COc1ccc(NC(=O)[C@@H]2SCCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGUDYUGRSQDKS-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(Cl)c(Cl)cc2n1C1CCN(Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDWRJHIVSZYJV-VSKRKVRLSA-N", "SMILES:Oc1cccc([C@@]23CCC[C@H]([C@H]2O)N(CCc2ccccc2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGBSNFNWHEGOM-UBFVSLLYSA-N", "SMILES:OCCC[C@@H]1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGWAKMPTZHINX-DGWZTRNLSA-N", "SMILES:COC(=O)CC[C@@H]1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGWAKMPTZHINX-USZFVNFHSA-N", "SMILES:COC(=O)CC[C@@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGKTEZZDWMVHU-LSQMVHIFSA-N", "SMILES:O=C(O)CC[C@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHAHHMALYFEUTK-KLJDGLGGSA-N", "SMILES:CCOC(=O)CC[C@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGBSNFNWHEGOM-SDHOMARFSA-N", "SMILES:OCCC[C@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGWAKMPTZHINX-GNKBHMEESA-N", "SMILES:COC(=O)CC[C@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDOOEOFAZGQEK-ZADLEFMZSA-N", "SMILES:OC/C=C/[C@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXQYLLBILOVKW-SDHOMARFSA-N", "SMILES:CCC[C@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQMPEGRCHPYBS-FOYOXVMZSA-N", "SMILES:COC(=O)/C=C/[C@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL340032", "category": ["biolink:ChemicalEntity"], "name": "DADLE", "xref": ["InChIKey:ZHUJMSMQIPIPTF-IBURTVSXSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4467777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEDBIJOVZJEMBI-YOEHRIQHSA-N", "SMILES:C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4789936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNABAQWJHPHXJO-LBZQVFOQSA-N", "SMILES:O=c1ccc(CN2CCN([C@H]3CC[C@@](O)(c4ccccc4C(F)(F)F)CC3)CC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNRFWCPFKHVCH-AQYVVDRMSA-N", "SMILES:O=c1ccc(CN2CCN([C@H]3CC[C@@](O)(c4cccc(C(F)(F)F)c4)CC3)CC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURIRNJZIOAGFF-KDURUIRLSA-N", "SMILES:O=c1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4C(F)(F)F)CC3)CC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMSJDEOGYRYVRN-RVWIWJKTSA-N", "SMILES:O=c1ccc(CN2CCN([C@H]3CC[C@@H](c4cccc(C(F)(F)F)c4)CC3)CC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTPANYIJLPNBS-GRGXKFILSA-N", "SMILES:Cc1cccc([C@H]2CC[C@@H](N3CCN(Cc4ccc(=O)[nH]c4)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKZIMHLZWXQQI-OYRHEFFESA-N", "SMILES:Brc1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOUCHUMQQGFYDV-SZPZYZBQSA-N", "SMILES:COc1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKLASWHVKBTLFT-SZPZYZBQSA-N", "SMILES:c1ccc([C@H]2CC[C@@H](N3CCN(Cc4cccnc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGIFNFHFONCUJV-PUZFROQSSA-N", "SMILES:O=C(c1ccc(=O)[nH]c1)N1CCN([C@H]2CC[C@@H](c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNOINSOUBXUOE-OYRHEFFESA-N", "SMILES:O=c1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCUOVZXGSTZFNL-HDICACEKSA-N", "SMILES:CC(C)(C)[C@H]1CC[C@@H](N2CCN(Cc3ccc(=O)[nH]c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFLGRCAMBXKGY-TYKWCNGQSA-N", "SMILES:COc1cc(C(=O)N2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQKVUGBGWJWVFO-HDICACEKSA-N", "SMILES:COc1cc(C(=O)N2CCN([C@H]3CC[C@@H](C(C)(C)C)CC3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXORSHIGJKLRCN-SZPZYZBQSA-N", "SMILES:COc1cc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVHBVDBXNHUCSR-KDURUIRLSA-N", "SMILES:COc1cc(CN2CCN([C@H]3CC[C@@H](C(C)(C)C)CC3)CC2)ccc1O"]}
{"name": "Transient receptor potential cation channel subfamily V member 5", "xref": ["CHEMBL.TARGET:CHEMBL1628474"], "id": "UniProtKB:Q9NQA5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRXNWCLKYWDNH-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(Nc2ccc(-c3cc4ccc(C(=N)N)cc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRFOQDJRLEMDH-UIXGLJBASA-N", "SMILES:CNC(=N)N/N=C(/C)c1ccc2oc3ccc(/C(C)=N/NC(=N)NC)cc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGJRBLKDKDPKDV-UHFFFAOYSA-N", "SMILES:c1cc2cc(-c3ccc4oc(C5=NCCN5)cc4c3)[nH]c2cc1C1=NCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMWIJQUKVDHYIL-UHFFFAOYSA-N", "SMILES:CNCC(=O)NC1=CC2C(=O)c3ccc(NC(=O)CNC)cc3C(=O)C2C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHGUFUVSUAYZAH-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc3c(ccc4ccccc43)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLRDLKHZEAEMCI-AATRIKPKSA-N", "SMILES:N=C(N)c1ccc2cc(/C=C/c3cc4ccc(C(=N)N)cc4o3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPXOVJOGVULBU-SNAWJCMRSA-N", "SMILES:N=C(N)c1ccc2[nH]c(/C=C/c3cc4ccc(C(=N)N)cc4o3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL163770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUWJHBWAGRUKSC-ONEGZZNKSA-N", "SMILES:N=C(N)c1ccc2[nH]c(/C=C/c3cc4cc(C(=N)N)ccc4o3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL166516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQHKLTGAARTLSP-AATRIKPKSA-N", "SMILES:N=C(N)c1ccc2cc(/C=C/c3cc4ccc(C(=N)N)cc4o3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFCFJVILMOWYTR-SNAWJCMRSA-N", "SMILES:N=C(N)c1ccc2sc(/C=C/c3cc4ccc(C(=N)N)cc4o3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL168157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEZZPPPWUYDBV-SNAWJCMRSA-N", "SMILES:N=C(N)c1ccc2oc(/C=C/c3cc4ccc(C(=N)N)cc4o3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZKZCJBKIVSBB-IZZDOVSWSA-N", "SMILES:C/C(=C\\c1cc2ccc(C(=N)N)cc2o1)c1cc2cc(C(=N)N)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVATJAOKLNFKP-AATRIKPKSA-N", "SMILES:C(=C/c1cc2ccc(C3=NCCN3)cc2[nH]1)\\c1cc2ccc(C3=NCCN3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWOUDNYVMQPZPL-AATRIKPKSA-N", "SMILES:C(=C/c1cc2ccc(C3=NCCN3)cc2o1)\\c1cc2ccc(C3=NCCN3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL168187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYBMRLWOUJXHJZ-XVNBXDOJSA-N", "SMILES:N=C(N)c1ccc(/C=C/c2cc3cc(C(=N)N)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLVMIOTSQVHFT-OWOJBTEDSA-N", "SMILES:C1=C(/C=C/c2ccc3cc(C4=NCCN4)[nH]c3c2)Cc2cc(C3=NCCN3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKMOTYPZOLXDML-FPYGCLRLSA-N", "SMILES:C(=C/c1cc2ccc(C3=NCCN3)cc2[nH]1)\\c1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYUMQXUGMMDJIM-XVNBXDOJSA-N", "SMILES:C(=C/c1cc2cc(C3=NCCN3)ccc2s1)\\c1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTSGSXZARCBENN-XVNBXDOJSA-N", "SMILES:C(=C/c1cc2cc(C3=NCCN3)ccc2o1)\\c1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURFKUDGWFAYFH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2=NCCN2)cc1)c1cc2ccc(C3=NCCN3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOUAOUCNWIWSBZ-WAYWQWQTSA-N", "SMILES:C(=C\\c1cc2ccc(C3=NCCN3)cc2o1)\\c1cc2ccc(C3=NCCN3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFXOXVDKDVUPRJ-PLNGDYQASA-N", "SMILES:C(=C\\c1cc2ccc(C3=NCCN3)cc2o1)\\c1cc2cc(C3=NCCN3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVRHCVYRRWRTL-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc2[nH]c(CCc3cc4ccc(C(=N)N)cc4o3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTLBYWBKMCMZPS-ZPUQHVIOSA-N", "SMILES:N=C(N)c1ccc2oc(/C=C/C=C/c3cc4ccc(C(=N)N)cc4o3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXKRBIDJQNFLQU-ZPUQHVIOSA-N", "SMILES:N=C(N)c1ccc(/C=C/C=C/c2cc3cc(C(=N)N)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL167317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFBKLOLAEPUOEC-UNXLUWIOSA-N", "SMILES:C(=C/c1cc2ccc(C3=NCCN3)cc2[nH]1)\\c1ccc(Oc2ccc(C3=NCCN3)cc2)cc1"]}
{"name": "Protein arginine N-methyltransferase 8", "xref": ["CHEMBL.TARGET:CHEMBL3108648"], "id": "UniProtKB:Q9NR22", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCSGCCGLOQXCQL-LQHZEQFVSA-N", "SMILES:C[C@]12Cc3cn(-c4ccccc4)nc3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NITODYSWHIFINW-LQHZEQFVSA-N", "SMILES:C[C@]12Cc3cn(-c4ccc(F)cc4)nc3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXPHENRMXIYLT-VVFCHSPPSA-N", "SMILES:Cc1ccc(-n2cc3c(n2)C=C2CC[C@@H]4[C@H]([C@@H](O)C[C@@]5(C)[C@H]4CC[C@]5(O)C(=O)CO)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRQMEXZTEASUDD-VVFCHSPPSA-N", "SMILES:COc1cccc(-n2ncc3c2C=C2CC[C@@H]4[C@H]([C@@H](O)C[C@@]5(C)[C@H]4CC[C@]5(O)C(=O)CO)[C@@]2(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SINJKCDQGBIVLB-LQHZEQFVSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccccc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPSTJNWDMVABX-LQHZEQFVSA-N", "SMILES:CCCCCCn1ncc2c1C=C1CC[C@@H]3[C@H]([C@@H](O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGCWTDKPSMHVRB-LQHZEQFVSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPQZTEVMVAVGJO-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1"]}
{"name": "Serine/threonine-protein kinase RIO2", "xref": ["CHEMBL.TARGET:CHEMBL6000"], "id": "UniProtKB:Q9BVS4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFMFINGKOBABM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGUXBXKDCLNCEH-UHFFFAOYSA-N", "SMILES:COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGMMJXGAFOCECQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2ccccc2c1)Nc1cc(Br)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPVVKGJGCKBECE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2ccccc2c1)Nc1cc(Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOGFPPPCZTQAX-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(C)C(=O)Nc3cc(C)ccn3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOGFPPPCZTQAX-AWEZNQCLSA-N", "SMILES:COc1ccc2cc([C@H](C)C(=O)Nc3cc(C)ccn3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOGFPPPCZTQAX-CQSZACIVSA-N", "SMILES:COc1ccc2cc([C@@H](C)C(=O)Nc3cc(C)ccn3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPQYJGPCPBEZGA-ZDUSSCGKSA-N", "SMILES:COc1ccnc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPAGARLGXJGAMW-UHFFFAOYSA-N", "SMILES:CCc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZRNFOUTGAJQFO-UHFFFAOYSA-N", "SMILES:COc1ccnc(NC(=O)Cc2ccc(C)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTTXJWWXCSCIZ-UHFFFAOYSA-N", "SMILES:COc1ccnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1"]}
{"name": "SNF-related serine/threonine-protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL1908384"], "id": "UniProtKB:Q9NRH2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTCLNJRIQRWVPL-UHFFFAOYSA-M", "SMILES:O=C([O-])CCc1nc(-c2ccccc2)no1.[Na+]"]}
{"name": "3-hydroxykynurenine transaminase", "xref": ["CHEMBL.TARGET:CHEMBL4739684"], "id": "UniProtKB:Q0IG34", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7159"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSMHJINRMYMJX-UHFFFAOYSA-N", "SMILES:CCCN1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4I)c(C#N)c(=O)[nH]3)c2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBUJUGLLLXHLL-UHFFFAOYSA-N", "SMILES:CCCN1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)c(C#N)c(=O)[nH]3)c2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKYXZSXXXKKJU-FQEVSTJZSA-N", "SMILES:O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKXZLIFRWWKZRY-KRWDZBQOSA-N", "SMILES:O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAWDUEFJOJENIJ-QHCPKHFHSA-N", "SMILES:O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(NC2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCIZCPAJITPQB-HXUWFJFHSA-N", "SMILES:O=C(COc1cccc2cccnc12)NC[C@@H](O)CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCIZCPAJITPQB-FQEVSTJZSA-N", "SMILES:O=C(COc1cccc2cccnc12)NC[C@H](O)CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOXVADYZAROMQ-JOCHJYFZSA-N", "SMILES:O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(-c2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOXVADYZAROMQ-QFIPXVFZSA-N", "SMILES:O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(-c2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCIZCPAJITPQB-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2cccnc12)NCC(O)CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOXVADYZAROMQ-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(-c2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNOIRPBZBNYURC-UHFFFAOYSA-N", "SMILES:Cn1cnc2ccc(-c3ccnc(NCC(O)CN4CCc5ccccc5C4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3977219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQLCVLZWLEHOX-UHFFFAOYSA-N", "SMILES:Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPJIPXYCVHSNT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(=O)O)c1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091762", "category": ["biolink:ChemicalEntity"], "name": "CABAMIQUINE", "xref": ["InChIKey:BENUHBSJOJMZEE-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc12"], "synonym": ["Cabamiquine", "Cabamiquine", "Cabamiquina", "Cabamiquine", "M-5717", "M5717", "DDD-107498", "DDD107498", "DDD498", "M-5717", "M5717", "MMV-121", "MMV121", "Cabamiquine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVCQKSSNZFCRGO-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXTVLKDFZEPMH-PAEMJXPASA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H]([C@@H](O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXTVLKDFZEPMH-SHUQQBQHSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H]([C@H](O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUAACMKIRHXEPE-AESFTPQLSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](C[C@@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUAACMKIRHXEPE-BNTVGSGFSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSBOJNUSWOKMOL-UDOKEBQUSA-M", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H]([C@@H](O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)[O-])CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWREVBCGSIIAY-VSZCRCLISA-M", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H]([C@@H](O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCC(=O)[O-])CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQLJDECYQDRSBI-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4777303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQSQXVZLGSUAI-KXNXZCPBSA-N", "SMILES:COc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZVVNGCGYYHXBE-QLSWKGBWSA-N", "SMILES:CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWVLPYSRFUDFMR-XOZOLZJESA-N", "SMILES:CCCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWYHBPGWPDQNR-XOZOLZJESA-N", "SMILES:C=CCOc1ccc2c(c1[C@@H]1C[C@H]1CN)CCO2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMUJJINXBRVEL-STEACBGWSA-N", "SMILES:Cl.NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2c1CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGICPLUIQIXVNT-QLSWKGBWSA-N", "SMILES:Cl.NC[C@@H]1C[C@H]1c1c(OCCF)ccc2c1CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEXUHNGZLUQIMG-KXNXZCPBSA-N", "SMILES:COc1ccc2occc2c1[C@@H]1C[C@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHJYHQVUKYWAKG-QLSWKGBWSA-N", "SMILES:CCOc1ccc2occc2c1[C@@H]1C[C@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUHBYGEXNZZSE-XOZOLZJESA-N", "SMILES:CCCOc1ccc2occc2c1[C@@H]1C[C@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTYJUKZFXDVEQ-XOZOLZJESA-N", "SMILES:C=CCOc1ccc2occc2c1[C@@H]1C[C@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMBNFFBZCFTGQK-QLSWKGBWSA-N", "SMILES:Cl.NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLRTUGCQZRYDU-STEACBGWSA-N", "SMILES:Cl.NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAIVDRAVZBKQDP-XOZOLZJESA-N", "SMILES:CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHARJBXULAQSC-XOZOLZJESA-N", "SMILES:C=C(F)COc1ccc2occc2c1[C@@H]1C[C@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHDGEGNAGESEA-STEACBGWSA-N", "SMILES:C=C(C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGAYZOAGDGYEH-QLSWKGBWSA-N", "SMILES:CCc1cc2c([C@@H]3C[C@H]3CN)c(OC)ccc2o1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNQCDAZSMTUQCZ-XOZOLZJESA-N", "SMILES:CCOc1ccc2oc(CC)cc2c1[C@@H]1C[C@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNAZUDLMTZMNY-XOZOLZJESA-N", "SMILES:CCc1cc2c([C@@H]3C[C@H]3CN)c(OCCF)ccc2o1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPHABPQODKGUSF-DSHXVJGRSA-N", "SMILES:CCc1cc2c([C@@H]3C[C@H]3CN)c(OCC3CC3)ccc2o1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQSQXVZLGSUAI-SCYNACPDSA-N", "SMILES:COc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZVVNGCGYYHXBE-XQKZEKTMSA-N", "SMILES:CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWVLPYSRFUDFMR-IYJPBCIQSA-N", "SMILES:CCCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWYHBPGWPDQNR-IYJPBCIQSA-N", "SMILES:C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMUJJINXBRVEL-YLAFAASESA-N", "SMILES:Cl.NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2c1CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGICPLUIQIXVNT-XQKZEKTMSA-N", "SMILES:Cl.NC[C@H]1C[C@@H]1c1c(OCCF)ccc2c1CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEXUHNGZLUQIMG-SCYNACPDSA-N", "SMILES:COc1ccc2occc2c1[C@H]1C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHJYHQVUKYWAKG-XQKZEKTMSA-N", "SMILES:CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUHBYGEXNZZSE-IYJPBCIQSA-N", "SMILES:CCCOc1ccc2occc2c1[C@H]1C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTYJUKZFXDVEQ-IYJPBCIQSA-N", "SMILES:C=CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMBNFFBZCFTGQK-XQKZEKTMSA-N", "SMILES:Cl.NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLRTUGCQZRYDU-YLAFAASESA-N", "SMILES:Cl.NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAIVDRAVZBKQDP-IYJPBCIQSA-N", "SMILES:CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHARJBXULAQSC-IYJPBCIQSA-N", "SMILES:C=C(F)COc1ccc2occc2c1[C@H]1C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHDGEGNAGESEA-YLAFAASESA-N", "SMILES:C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGAYZOAGDGYEH-XQKZEKTMSA-N", "SMILES:CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNQCDAZSMTUQCZ-IYJPBCIQSA-N", "SMILES:CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTNOQFZXZWJLC-YLAFAASESA-N", "SMILES:CCCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNAZUDLMTZMNY-IYJPBCIQSA-N", "SMILES:CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEFZEYHZIIDPC-YLAFAASESA-N", "SMILES:C=CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPHABPQODKGUSF-OJMBIDBESA-N", "SMILES:CCc1cc2c([C@H]3C[C@@H]3CN)c(OCC3CC3)ccc2o1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360328", "category": ["biolink:ChemicalEntity"], "name": "LORCASERIN", "xref": ["InChIKey:XTTZERNUQAFMOF-QMMMGPOBSA-N", "SMILES:C[C@H]1CNCCc2ccc(Cl)cc21"], "synonym": ["Lorcaserin", "Lorcaserin", "Lorcaserine", "Lorcaserina", "Lorcaserin", "Lorcaserin", "ADP-356", "ADP356"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL2331803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPHEXXZGQBXGT-XZTIXWOLSA-N", "SMILES:C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3794064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRPYZEWVBYBTJC-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRVCMWFTIBONM-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3930827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGZIKWAGRBCESC-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWDLDXVVKDXBAK-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2snc(-c3ccccc3)c2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHXQWMJRWFWJLF-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2nsc(-c3ccccc3)c2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPUCTRJEFKHGP-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccn3)c2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTLGFSIKSUCOEW-UHFFFAOYSA-N", "SMILES:CC(C)Cc1onc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWUVGQMWKBLQKR-UHFFFAOYSA-N", "SMILES:CC1(c2onc(-c3onc4c3CCc3cc(CN5CC(C(=O)O)C5)ccc3-4)c2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHUVEIJQFCGRJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYFKDYNNQDDII-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHNLZUPKTLDBOU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCCVYNLKDPHNG-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJLNJITHDOSPI-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRSSMALAJLSLLX-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2cccc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJNZJVMIHQJDV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKIDTLCTKBRPRC-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)Cc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLMBBUWJYGIYMC-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2c(-c4onc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATYIWWBJHCDMJQ-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUYMGOJIHUGBPQ-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTAXQQZMZFFGQE-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNGANQQLGHIQK-UHFFFAOYSA-N", "SMILES:CN1Cc2c(noc2-c2onc(-c3ccccc3)c2C(F)(F)F)-c2ccc(CN3CC(C(=O)O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOUDZJSAIBIIKY-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)OCCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCZLXSAZCFIBP-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3n[nH]c2-c2onc(-c3ccccc3)c2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQYNKXFGKCLGCP-UHFFFAOYSA-N", "SMILES:Cn1nc2c(c1-c1noc(-c3ccccc3)c1C(F)(F)F)CCc1cc(CN3CC(C(=O)O)C3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOPURULZMLPFY-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2noc(-c3ccccc3)c2C(F)(F)F)c2c1-c1ccc(CN3CC(C(=O)O)C3)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEVTJZSIOFZST-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2nc(-c4onc(-c5ccccc5)c4C(F)(F)F)oc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTIMZLPANCBPAD-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(c2)CCc2nc(-c4onc(-c5ccccc5)c4C(F)(F)F)sc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYVMNPEGWZYBY-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1CN1CC(C(=O)O)C1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACVCBOVPZBHAJ-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2cc3c(cc2F)-c2noc(-c4noc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTUTCMAJRUOQT-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc3c(n2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPYIPANVGQXPAV-LIXIDFRTSA-N", "SMILES:O=C(O)C[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYSNIJFSYQHQK-YDNXMHBPSA-N", "SMILES:O=C(O)[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFVGEVPZXZGOMH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNC(=O)C(O)c1ccc2c(c1)CCc1c(-c3noc(-c4ccccc4)c3C(F)(F)F)noc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZBIIIQNDSRDPB-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(CN(Cc3ccc4c(c3)CCc3c(-c5noc(-c6ccccc6)c5C(F)(F)F)noc3-4)C2)N1"]}
{"name": "Sphingosine 1-phosphate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1914263"], "id": "UniProtKB:P48303", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDRAIJCBVSHCO-UUWRZZSWSA-N", "SMILES:COc1ccc2nc3c(c(NCCCCCCCCN(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)C(=O)CCCC[C@@H]4CCSS4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZDXETQFUAMIIN-MGBGTMOVSA-N", "SMILES:COc1ccc2nc3c(c(NCCCCCCCN(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)C(=O)CCCC[C@@H]4CCSS4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKIOUVTAQGDKW-JGCGQSQUSA-N", "SMILES:COc1ccc2nc3c(c(NCCCCCCN(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)C(=O)CCCC[C@@H]4CCSS4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXODBKYHGKYPJW-MGBGTMOVSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCCCCNc3c4c(nc5ccccc35)CCCC4)C(=O)CCCC[C@@H]3CCSS3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDZXQZAOYMUDC-RCCKNPSSSA-N", "SMILES:COc1ccc2nc3c(c(NCCCCCCCCN(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)C(=O)/C=C/c4ccc(O)c(OC)c4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCHYGDBEGKZQHD-XSFVSMFZSA-N", "SMILES:COc1ccc2nc3c(c(NCCCCCCCN(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)C(=O)/C=C/c4ccc(O)c(OC)c4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLCKOCRDJGDBD-CPNJWEJPSA-N", "SMILES:COc1ccc2nc3c(c(NCCCCCCN(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)C(=O)/C=C/c4ccc(O)c(OC)c4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCOGBPYFWRDLHI-RELWKKBWSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCCCCNc3c4c(nc5ccccc35)CCCC4)C(=O)/C=C/c3ccc(O)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMTZQWVQFDIBG-UHFFFAOYSA-N", "SMILES:CCCC(CCC)C(=O)OC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGUBSDABFIBMJP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(=O)n(CC(=O)N3CCNCC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMQSUUXKLZVNU-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFWDBRZXYWSOTD-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)Cn2sc3ccccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBSSWKFKAMTRCM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)Cn2sc3ncccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXUFNNVFZFVKGP-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)Cn2sc3nc(C)cc(C)c3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKCUGKKMOIPQR-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)Cn2sc3ccccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBOQWQMZPLZJBU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(=O)n(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMBGBJAVQGYPK-WCYRKSIYSA-N", "SMILES:[N-]=[N+]=Nc1ccc2c(=O)n(CC(=O)N3CCN(CCOCCOCCOC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFMNSSZOADXOBU-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURZIJUOFHBAKH-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBBSREZIVYGITQ-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBKPFBBNYBOQPN-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRMLHFIPUNMIQC-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWVCXCHLBGGRL-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYJUALERQNTAU-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHTHWQSRSWKEAT-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXZPVNTHKXRQT-MDZDMXLPSA-N", "SMILES:CCCCNNC(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAROTAWAKPGPJD-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCJOVMYAXWJZSI-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJATRDSAOVMFV-NSCUHMNNSA-N", "SMILES:C/C=C/CNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATRHHNUHBOWCI-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPPIMWTPPPDNS-UHFFFAOYSA-N", "SMILES:CCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLXNYIHGCMUUER-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(=O)NNCCC(F)(F)F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWVXYVGPAMOCE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(=O)NNCC2CC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQNIDRCVFTKKZ-UHFFFAOYSA-N", "SMILES:CCCCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKPWJMVLLYKMKH-UHFFFAOYSA-N", "SMILES:CCCCCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHBEDYMTAULCE-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFDKMPCSDVCXCQ-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSFDDFEGSROQL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(=O)NNCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCAMUXWFQPVTJA-JLHYYAGUSA-N", "SMILES:CCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHZUZIALEUTHIU-JLHYYAGUSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUJQZBBINFCTIV-SDNWHVSQSA-N", "SMILES:CCCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQTCOFJJIMMRQO-NTCAYCPXSA-N", "SMILES:CCCCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJXCXWSJXRUAN-DTQAZKPQSA-N", "SMILES:CCCCCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPNUUULYRBUSBJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2ccnc(NC(=O)Nc3ccc(F)cc3F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNPNYIOGZAWVSD-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(F)cc3F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAUYQFSODRWMC-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3661464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBIPEYBSOQNLDE-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3661466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJYCGJNMKTVBQP-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJAJWYFGMGQXPX-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXPRNEDRKPNLKW-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2)c2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3661485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXUJWHUDYHLGV-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXYLQPMBYMXCX-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBBXMARUHDVNOM-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cncc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3666257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLNSIOZHCMOPZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3666254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJGWNGRVSUFGBL-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQULCJFCULISIS-UHFFFAOYSA-N", "SMILES:CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212531", "category": ["biolink:ChemicalEntity"], "name": "PF-06273340", "xref": ["InChIKey:BPIWZDNVMQQBQX-UHFFFAOYSA-N", "SMILES:CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc21"], "synonym": ["Pf-06273340", "PF06273340"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4776839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCPUFNJKOGKOOG-AFKAWQRRSA-N", "SMILES:O=C(O)c1ccc([C@H]2C[C@H]3[C@@H](N2)[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc4cc(Cl)ccc42)N3CC2CC2)cc1"]}
{"name": "E3 ubiquitin-protein ligase Mdm2", "xref": ["CHEMBL.TARGET:CHEMBL3600279"], "id": "UniProtKB:P23804", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUHFXVHEGWPSE-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(Sc2nc3cc(Cl)ccc3s2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFNADJKXYYHSU-WHPWKXGYSA-N", "SMILES:C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTKCTWJNKQRPX-KQVVASPPSA-N", "SMILES:C[C@@H]1CN(c2ccc(C(=O)O)cc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBACIHCJPTJHG-KQVVASPPSA-N", "SMILES:C[C@@H]1CN(c2ccc(C(N)=O)cc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFDSSHSMSUYGFI-IZDCNSEISA-N", "SMILES:CNC(=O)c1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)[C@H](C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYFMEHSYRAVPOI-REKAHOPZSA-N", "SMILES:C[C@@H]1CN(c2ccc(C(N)=O)nc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJKNHXPUBONUPU-HRMXCHKUSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDDYDLXFFZMAS-XAZJTVHOSA-N", "SMILES:C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUXYFPWODOAHD-WHPWKXGYSA-N", "SMILES:CNS(=O)(=O)c1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)[C@H](C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRPWLPNKUXWDT-JMBJFCBPSA-N", "SMILES:C[C@@H]1CN(c2ccc(C(C)(C)O)nc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQPGRVQMPBTJJB-AXKOFXMCSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXQVQWPUDTWJI-AXKOFXMCSA-N", "SMILES:C[C@@H]1CN(c2ccc(Cl)cc2)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLCTTWZCAZCNNW-AXKOFXMCSA-N", "SMILES:C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDYIEMHTUKMGS-VFHQYBAQSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)cc2)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEGJQPCXQMHGGC-JPAYEOGSSA-N", "SMILES:C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKZRCLNWRFKMAS-GCMZDFACSA-N", "SMILES:C[C@@H]1CN(c2ccc(C(C)(C)O)cc2)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYPBDBHHZYXQDT-NJIHCMSDSA-N", "SMILES:C[C@@H]1CN(c2ccc(C(C)(C)O)cc2F)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKKTEYBWOVEET-REKAHOPZSA-N", "SMILES:C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2F)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBOQVKXXHPPFLY-REKAHOPZSA-N", "SMILES:C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2Cl)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZFWWPKEONPAF-ODNWWFQISA-N", "SMILES:Cc1cc(S(C)(=O)=O)ccc1N1CCN(c2nccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBPDXHWUFGPDI-BTKHOAOZSA-N", "SMILES:C[C@@H]1CN(c2cc(F)c(S(C)(=O)=O)cc2F)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAGEAAWGYTYLL-USCKZAIJSA-N", "SMILES:C[C@@H]1CN(c2c(F)cc(S(C)(=O)=O)cc2F)CCN1c1nccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCAQGIYTAULBQ-HRMXCHKUSA-N", "SMILES:CCS(=O)(=O)c1ccc(N2CCN(c3nccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)[C@H](C)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQZIJRKGAPVCBU-QQNRCNHKSA-N", "SMILES:Cc1ccc(/C(=C(\\CCCO)c2ccccc2)c2ccc3oc(CCN4CCNCC4)cc3c2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRUAIANRUNZPE-PBYGZKADSA-N", "SMILES:Cl.Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc2oc(CCN3CCNCC3)cc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXHGCUPIAJBMW-QQNRCNHKSA-N", "SMILES:Cl.Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc2c(ccn2CCN2CCCCC2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APRGNVXXVNXLIQ-PBYGZKADSA-N", "SMILES:Cl.Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc2c(c1)CCN2CCN1CCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWVNXRAKVDQIJK-HEKQOYCRSA-N", "SMILES:CN(C)CCn1cc(-c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)nn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBNXWXXXUPPHK-GWLNUVCFSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc2oc(CCN3CCCCC3)cc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOXQGLIMYUTPFQ-NTDCDQSISA-N", "SMILES:CN1CCN(Cc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACYXFXEDHGXAG-KOYPCPTFSA-N", "SMILES:O=C(CN1C[C@H]2CNC[C@H]2C1)Nc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYISRFOCORFOJD-NFOZGECASA-N", "SMILES:Cl.Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(NCCN2CCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSFJYSCSGYOQZ-JOTHOCIUSA-N", "SMILES:Cl.O=C(CN1CCCCC1)Nc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCHMTKSQGNLVMN-DHKWPOFJSA-N", "SMILES:C[Si](C)(CN1CCCC1)c1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKZJXRSLSSVUNT-DSPABWSOSA-N", "SMILES:C[Si](C)(CN1CCCCC1)c1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEFXZEXYHRCZCG-GKRNLYOHSA-N", "SMILES:C[Si](C)(CN1C[C@H]2CNC[C@H]2C1)c1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYWVRHVAMEFHA-USQWWDFWSA-N", "SMILES:CN1CCN(C[Si](C)(C)c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLXKSSNFIFLCDR-JYOLQUMFSA-N", "SMILES:C[Si](C)(CN1CCNCC1)c1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIQKAWAEICSWFY-IRWWKPKRSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(Br)cc1)c1ccc(CN2CCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENOGENRXZMVGG-NTDCDQSISA-N", "SMILES:Cl.Cl.O=[N+]([O-])c1ccc(/C(=C(\\CCCO)c2ccccc2)c2ccc(N3CCC4(CCNC4)C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTOTEOECPNTOL-JGUILPGDSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(N2CCOCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXWPVAOXWOMXBP-DSPABWSOSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCNC3)C2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBBWBIWNGADAV-JHBALVGMSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2C[C@H]3CNC[C@H]3C2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUUZQGFZAABHAA-VSNNFTROSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2CCC[C@@H]2CO)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDIWZIWDNHRIFJ-VLSXRWFESA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILTVVKMAWERBC-VSGJOPEGSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2C[C@H]3C[C@H]3[C@H]2CO)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCIICNCHZMRLD-DHKWPOFJSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNBIDBZCIOXZIT-DHKWPOFJSA-N", "SMILES:CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCAIWVBOBFRZBY-OWEDCIEKSA-N", "SMILES:CN1CCC[C@@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCAIWVBOBFRZBY-CJGRHYNCSA-N", "SMILES:CN1CCC[C@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVNLGSITVPOLE-JTHROIFXSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2CC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUTOLBYBBQFQMW-FJBFXRHMSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEWZOLATMUWHOY-DHKWPOFJSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USEJDNIKJAVSOH-FJBFXRHMSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRTWQRXITGMUEX-JYOLQUMFSA-N", "SMILES:CN1CCN(CCOc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVSFNBNLNLXEFQ-RQZHXJHFSA-N", "SMILES:CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYOGAVXKLRFXGT-FOFLBYBQSA-N", "SMILES:CN1C[C@@H]1CCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(Br)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBOQIIBJBGASRG-DHKWPOFJSA-N", "SMILES:CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(Br)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTAFHTQEZCYBMH-MCDYILNGSA-N", "SMILES:CN1CCC[C@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(Br)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOBWZCZQLKNBS-JTHROIFXSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(Br)cc1)c1ccc(OCCN2CC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQWECDWYRSKQR-XLLSWMRESA-N", "SMILES:Cl.Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMBDEWJZTWBBA-OSTACIAISA-N", "SMILES:CN1C[C@H]1CCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMBDEWJZTWBBA-DQUQXPIKSA-N", "SMILES:CN1C[C@@H]1CCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQNUOFXJYWSHQF-PIBZGNNCSA-N", "SMILES:CN1CCC[C@@H]1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNBIDBZCIOXZIT-QUUZBISYSA-N", "SMILES:CN1CCC[C@H]1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHSBVUKKFSONLG-LXCLTORNSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(n2cc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cn2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOKURRCGJJVAAB-RSCMZZNTSA-N", "SMILES:Cl.Cl.O=C(Nc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1)C1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAFJKVGCIWVHQC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCc1ccc(-c2ccccc2)cc1)OCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKAEYYATJDSHZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXGPYXAKPXYAB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccccc2)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1460133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSTAMRYLVYUNHF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKJYCAADIYBEP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccccc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1545637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVXXRVKZSKFWAL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXMJTYHEMJQBD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1699766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWORSVLCPAQSL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIYSOPDOHUIPKX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAEXVBQKPYJEDY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVGIGHUHTZLPG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZYMTCZUJDDPHF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(I)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSQGWSWVACXPF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(I)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBDZKJURGADKBR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2I)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1347379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWBXMNSXNFYLAM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXOBVXRPICCSS-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVBYUZROXXUKY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUHBFAPGGVCTG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZKARKNKLVGJTO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDBLCMCQYTBKC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKANXJXTMKQJPI-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOWZEKVOYFJKDV-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBBACKZIQKOQD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAKLUQSWBUZYJB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWHIXUNVQYUVTQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZUDGFRKGKGVCX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSAQFVZJTOJQCI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSGAABBCKJAIX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCAMDPINHHMYAV-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDBAUBCMQPKGA-UHFFFAOYSA-N", "SMILES:Nc1cccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKIYKZDLZFBXIR-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBEMJHPALCWSQQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVSBDYRSGHOSG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRJXWSDJMZGLBT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKXDXGIOIPZMP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHAHRBGMFVYTSP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKZQMBUCZRTDJU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOWCDFPDYHQTMG-WYTIYTFZSA-N", "SMILES:CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCCOCCOCC(=O)N[C@@H](C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKYJLDBZWFIMV-KWBLQBRUSA-N", "SMILES:CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2cccc(n2)CN(Cc2cccc3ccccc23)CC(=O)N[C@@H](C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHJYHRTDPBXQV-KBKLQMCYSA-N", "SMILES:CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2cccc(n2)-c2cccc(n2)C(=O)N[C@@H](C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PARLWXHRBXLNAG-RQNYSZIMSA-N", "SMILES:CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2cccc(n2)CN(C)CC(=O)N[C@@H](C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPIBDRLHEOMGPA-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLIGSOAERKSNQE-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)NC(=O)N1c1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFVSMJEMRBEQY-UHFFFAOYSA-N", "SMILES:CC1(C)CN(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZGDGOPAILPPQA-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)C(c2ccc(F)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQKYBRKGGMQTFM-UHFFFAOYSA-N", "SMILES:CC1(C)OC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOGYBLMSKAQPQH-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCRSVVPDYXIOJF-UHFFFAOYSA-N", "SMILES:O=C1C2CCCN2C(=O)N1c1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSIJHQOVSPNNV-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCCCC2)C(=O)N1c1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVNPHXAPAKPDM-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCCC2)C(=O)N1c1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHCSBDMKPFGRD-CYBMUJFWSA-N", "SMILES:O=C1N[C@H](c2ccccc2)C(=O)N1c1ccc(F)c(C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVWGNBMVWHZIZ-UHFFFAOYSA-N", "SMILES:O=C1CNC(=O)N1c1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCAQKWWGLMNXTA-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBNKQXBXBGHBMI-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=O)NC(C)(C)C2=O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHZTJZHWWJUND-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOXPYSRBYPLMQF-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMXTLKZLXAXSV-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOPMEVZWYCSGKU-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHLSYIHECLTJE-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFVGPYRMVLLFY-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMPVPVZXKSLXMJ-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLYJJBFBZTIOK-UHFFFAOYSA-N", "SMILES:CN1C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTGSGTWRNQCEQY-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTBDRKHZRHIDF-UHFFFAOYSA-N", "SMILES:CC1(C)CNC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBBUEHJDYOPSU-UHFFFAOYSA-N", "SMILES:CC1(CO)NC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZEWOMGQOMTZFB-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(c2cccnc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSMZLYPNHLPIEK-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(c2ccnc3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQXZBKVOHBKGON-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(c2ccnc(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPCCJBPEFAZMF-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(c2ccncc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWYRBAEBKCZHW-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(N2C(=O)NC(C)(C)C2=O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYOMFODPCMGLG-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(c2ccc(F)c(C#N)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDXQHUADJYRIRW-XFZXQQMTSA-N", "SMILES:CC(C)CCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMNIQIFFGLPGI-HRMXCHKUSA-N", "SMILES:O=C(O)C[C@H]1CCN(c2ccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)c(SC3CCCCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFVRDZOGZFDPMV-BBJYQZNCSA-N", "SMILES:O=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)nc1SC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBNOXXTUMKERGD-JPCUSUTFSA-N", "SMILES:CC(C)CCSc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3656470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBEYVXMISRCNDH-SFHVURJKSA-N", "SMILES:CC(C)CCOc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNOXYJNABGUWAJ-SFHVURJKSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCCC3CC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKPVPREOGUKBK-SFHVURJKSA-N", "SMILES:CC(C)(C)CCOc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPXWECDTINZFEY-FQEVSTJZSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCC3CCCCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFKJCZKABFJIBO-KRWDZBQOSA-N", "SMILES:CC1(C)CC(Oc2nc(N3CCC[C@@H](CC(=O)O)C3)ccc2C(=O)NC2CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMNGNZPJHJYJR-KRWDZBQOSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OC3CCCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXSQCOPBWLZEK-GGYWPGCISA-N", "SMILES:CC(C)CC(C)Oc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZFGZDONBWUGFD-KRWDZBQOSA-N", "SMILES:CCCCOc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCVRIBZMYFMJB-INIZCTEOSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCCCC(F)(F)F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJTMLUHOQGIFCU-SFHVURJKSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OC3CCCCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWJTHKMDXVUAF-SFHVURJKSA-N", "SMILES:CC(C)=CCOc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FERYRRAUZKPHQY-ADKAHSJRSA-N", "SMILES:CC1CC1COc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKIYIQZQDCYULI-ZVAWYAOSSA-N", "SMILES:CCCC(C)Oc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXLYZLCPURGQPU-ZVAWYAOSSA-N", "SMILES:CCC(C)COc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMJUBJHMFMTSS-KRWDZBQOSA-N", "SMILES:CC(C)COc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOQRFEBDGKTZIU-KRWDZBQOSA-N", "SMILES:CCC(C)(C)Oc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXQUMHJZNSUEX-SFHVURJKSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCC3CCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEFQDIRQGKMOHR-KRWDZBQOSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCC3CC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVWCYOJLASZQM-DJNXLDHESA-N", "SMILES:CC(Oc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPRMFIAJBISORH-FQEVSTJZSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCc3ccccc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUQDAOXKVMYAFQ-FQEVSTJZSA-N", "SMILES:Cc1ccccc1COc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBASOQAMMYVWAS-FQEVSTJZSA-N", "SMILES:Cc1cccc(COc2nc(N3CCC[C@@H](CC(=O)O)C3)ccc2C(=O)NC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRUXEWKQWVKGBG-IBGZPJMESA-N", "SMILES:COc1ccccc1COc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQSOBLJQIJMIT-IBGZPJMESA-N", "SMILES:COc1cccc(COc2nc(N3CCC[C@@H](CC(=O)O)C3)ccc2C(=O)NC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJJKKWFDIOXZRD-SFHVURJKSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCc3ccccc3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUJBOXTUYVBWBH-SFHVURJKSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCc3cccc(F)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RELQGJJPCARXQK-IBGZPJMESA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCc3ccc(F)cc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOXXSJBYBMBLCG-SFHVURJKSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCc3ccccc3Cl)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYHRTHLAJCMXLY-SFHVURJKSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCc3cccc(Cl)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFGSJYZXKWHOU-IBGZPJMESA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCc3ccc(Cl)cc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQGAHLHDQQZOA-NRFANRHFSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCCc3ccccc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUMULKJLNMZPNL-UXHICEINSA-N", "SMILES:C[C@@H](Oc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUMULKJLNMZPNL-PMACEKPBSA-N", "SMILES:C[C@H](Oc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPUSNRBLLFRRFV-RTWAWAEBSA-N", "SMILES:Cc1ccccc1[C@@H](C)Oc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAMPBMPWCPAFR-IBGZPJMESA-N", "SMILES:Cc1cc(Cl)ccc1COc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYKFSXSLVCXDCH-SFHVURJKSA-N", "SMILES:CC(C)CCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZRNJZPHQRWTG-FQEVSTJZSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(SCc3ccccc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFPWZTDQCKLUOJ-SFHVURJKSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(SCc3ccccc3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFGEDLOELTAGL-JPCUSUTFSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWBQDHONMZCGV-OVODJHDWSA-N", "SMILES:CCOC(=O)[C@H]1[C@@H]2CN(c3ccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)c(OCCC(C)C)n3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJNLMZWJFYCTCM-QJGQTASTSA-N", "SMILES:COC12CC3CC(C1)C(NC(=O)c1ccc(N4C[C@@H]5[C@H](C4)[C@H]5C(=O)O)nc1OCCC(C)C)C(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRYYFOWRRUEGL-SUBUPWIOSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC(C)C1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBJPNWZYUBTYMU-RCIJPTIRSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC(C)C1C2CC3CC1CC(OC(F)F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZANGJMOOCXLLP-RUYXUALKSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBPLWKFBYLLAC-DYQZNNLLSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBPLWKFBYLLAC-CUXKYVRBSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC[C@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWIHWOMRBPFGDA-XVAYZXCPSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFGQVLUMIWRBMF-KXTWHKPSSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)Nc1cccc(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBDMXNIXDKESM-VRBBWPEWSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)N[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTQQEYYIKAJNFG-KXTWHKPSSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMBIQCIMUVMCS-RUYXUALKSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)Nc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXGQJROJDBLQIW-RUYXUALKSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNRNLVNMYMBIK-KXTWHKPSSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)Nc1cccc(NS(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONWASQDYJFLDC-RUYXUALKSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCJSOAZZNHMGE-DYQZNNLLSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)N[C@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQNRBPVIMMEGG-KXTWHKPSSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)Nc1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFMKDHVPYZIJDF-RUYXUALKSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)Nc1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBDMXNIXDKESM-DEZRYOJYSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)N[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFMKQUMDDYZQRG-RUYXUALKSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLSZOZVPZCZNQ-KXTWHKPSSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NCc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKINXIOKNQVMK-KXTWHKPSSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCJDGMBUYSSTPX-KXTWHKPSSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKODKNGMVOSRMC-KXTWHKPSSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLJAXLAEORVJB-QGKUSNBQSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNUQUMKIWFPDCA-XVAYZXCPSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)N(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHVWRWRYDJPXSE-RUYXUALKSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAWPNDHVSOMRMY-KXTWHKPSSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)N(C)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSIMSGHFLPIQLL-WKRAUQCQSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC1CC2CCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCJSOAZZNHMGE-CUXKYVRBSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)N[C@@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHORNQUPXWVMKT-KXTWHKPSSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTMTCJSIPXOAY-XFZXQQMTSA-N", "SMILES:CC(C)CCOc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKAPQLYTFDOQZ-JPAYEOGSSA-N", "SMILES:CC(C)CCOc1nc(N2CC[C@H](CC(=O)O)C2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXZKFTXWMRCJQW-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1nc(N2CCC(C(=O)O)CC2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPIQLPIKPKQQH-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1nc(-c2ccc(C(=O)O)cc2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRBXJHVGOBRMT-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1nc(Nc2cccc(C(=O)O)c2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBDDUIIOXHXCQ-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1nc(Nc2coc(C(=O)O)n2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGYFVSXIYGKIZ-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1nc(Nc2csc(C(=O)O)n2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPLBWYSPPJLET-OVODJHDWSA-N", "SMILES:O=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)nc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPSJPACHPQHGBY-AKTHYQFOSA-N", "SMILES:Cc1ccccc1COc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEIBIOFYGYZJJ-BLXLHYOWSA-N", "SMILES:O=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)nc1OCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBXQRJUHLAVEH-VUAFMHOISA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)c(OCc3ccccc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVFGQNTLAXOMT-RXOJBMIKSA-N", "SMILES:Cc1ccccc1COc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHBVKHSELXYULJ-XLYLLUQFSA-N", "SMILES:O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)c(OCc3ccccc3Cl)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSOKULXZOUVHGO-YRWFTTLQSA-N", "SMILES:CC(C)CCOc1nc(N2C[C@@H]3[C@H](C2)[C@H]3C(=O)O)ccc1NS(=O)(=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AONSOYYORLURGB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSMDBJZKNSWIG-UHFFFAOYSA-N", "SMILES:CCOc1cccc(C(=O)NC2CC3(CCNCC3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTNGJCVCJUGZOT-UHFFFAOYSA-N", "SMILES:CCn1cncc1CN1CCc2[nH]c(=O)cc(-c3ccc(Cl)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNZFCYUNKAUPQA-UHFFFAOYSA-N", "SMILES:NCC1(C(=O)Nc2ccc(Cl)cc2)CCN(c2ncnc3[nH]nc(C4CC4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPGXYJGRKOURQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZXXPKDUKFOORH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCCCN2CCCCC2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBYYAVWJEDVZFK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCC(O)CN2CCCC2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXNQLAGXKPMVEH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCC(Cc2ccccc2)CN2CCCC2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEIUOMAYHVVFJI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)N2CCC(N3CCCCC3)CC2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEMPANJSJVQNP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCCCN2CCC(N3CCCCC3)CC2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSRFHIGZWXEJTF-UHFFFAOYSA-N", "SMILES:CN(CCCN1CCCC1)C(=O)c1cc(-c2ccccc2Br)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSHKWFFHJKFLNK-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cc(-c2ccccc2Cl)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSHXCBALIIVLC-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cc(-c2ccccc2F)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFMZVOHMGJOKIM-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTKZOACLUAFLU-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOFZXIJBKBMIT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2c(C)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQCBHEFNYPSTRA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2c(C3CC3)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEABFGBNMGGNU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cccc(C(=O)NCCCN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUAKSMKBBGPHOF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C#N)cc(C(=O)NCCCN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSLWMQKHURZNIX-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYYQSTQGPYHBSQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMYQWDMQWKHNNC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOYDFAOBDABZJT-UHFFFAOYSA-N", "SMILES:CNc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPYZGRBUGWWQAS-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCN2CCN(c3ccccc3-c3cccc(C(=O)NCCCN4CCCC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAALJSNKOBNYCL-UHFFFAOYSA-N", "SMILES:COc1cccc(CCN2CCN(c3ccccc3-c3cccc(C(=O)NCCCN4CCCC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKOLPSKPQEKGE-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cccc(-c2ccccc2N2CCN(CCc3ccc(Cl)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBJZXMGLXKKJC-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cccc(-c2ccccc2N2CCN(CCc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLKUUJGKNTPCD-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cccc(-c2ccccc2N2CCN(CCc3c[nH]c4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUFJXLBJGLJMFZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cccc(-c2ccccc2N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERBFWPZZNGFFV-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAFUNCCNVDIBPB-UHFFFAOYSA-N", "SMILES:COc1cccc(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQNKQZUYYPRKE-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2N2CCN(CCc3c[nH]c4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOFQGOWSZWZKPR-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCCWWPBMEWLPJJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CCN2CCN(c3ccccc3-c3cc(C(=O)NCCCN4CCCC4)ccn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVIXVEABOZFBNF-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCN(c3ccccc3-c3cc(C(=O)NCCCN4CCCC4)ccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IULGNMCTMRCLOV-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1ccnc(-c2ccccc2N2CCN(CCc3ccc(Cl)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYQGZWCMFDYDI-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1ccnc(-c2ccccc2N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRGMZIXVBWLLHA-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1ccnc(-c2ccccc2N2CCN(CCc3c[nH]c4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGADSNNQOFDZDI-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCPDGNYFXJYJFB-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(CCc3c[nH]c4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFRDUUWMRTQCG-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2OC2CN(CCc3ccc(Cl)c(Cl)c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTMOJXFKRUIWGC-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC2CCN(c3ccccc3-c3cncc(C(=O)NCCCN4CCCC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYKVPOQVUKTFDL-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cc(-c2ccccc2N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBYSWUVRGIPEC-UHFFFAOYSA-N", "SMILES:CN(CCNCCc1ccc(O)c2c1OCC(=O)N2)C(=O)CCNCCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNOWKAKOWCRFFS-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCHNVWXZTRRBPP-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1csc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUSYNOSMOCEPPZ-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1csc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZDXQBNBTOUHQB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXGUVBKMCAWWNE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFXHZLZCMFNEC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSSPYGJTWIFME-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLSJQGSPJAIOOM-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIUPEDAACQJKR-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPQRVGXNGHXYTA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJOSEPMHBTROQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMJTMRIMCWDAV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDEBXRMETNGIGI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKTCOJHXWGJWKY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFHHCSJIKYKHM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQXVMJZBEVQKDZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFCMDDCGROQDX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRDBAMITAOOWDT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGJBPWRXSZAJA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHPFLUVTUFEMGN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZJGYUVULOPGEQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CCC(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABRHLSKVMKCOD-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCC(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKGZJQFDSIDZLJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZRPLBLIHTRPN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSEMBIOOQOHPMR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDBGAJCOUCCGFO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCIEVPMVOLTEN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYMIXDAYDQNVPD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYRMCIGECHJLLQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(C(=O)OCc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWYWLKBKIJAAJ-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPCIHZXOGHCLY-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBUVBWQFHWPMI-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C3(c4nn[nH]n4)CCCC3)cc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWSFVTDGWLQLIO-SFHVURJKSA-N", "SMILES:Nc1ncc(-c2ccc3c(c2)CC[C@@H]3C(=O)O)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQDIECZAQKQQW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUUYVKYIWHWGBI-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJFULQSGQIYAA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)O)nc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVAGTSXRUDWALM-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFCAFJUAFRUVPE-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(NCC(=O)O)nc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGJZZDJPJNDKW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccccc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGCYIFSJNVXNBT-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc(C(=O)O)c2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTHSMGETQRXMF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOJGMLISFTFPH-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTYOXROXYEMIK-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(-c3nn[nH]n3)cc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMORBYIUCSXLFR-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGJJWAAUVHMWBE-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBHPWNSDZXBME-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGTIBSVSXRGZAU-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFCSIUSQRDAIIU-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQGRBFWPPBCSH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQWVTHFTDRJMB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVEFKEPASIJJOB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOQYHHHCUJZIQ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEDGYGPKQOCLA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFBLZAKXJSFWDK-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)O)cc2)cc1COc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPKQHCOWKQUMH-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXHGPBLWEDJNPU-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWTYEXPPVFBYDG-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENLTBVPZZXVOC-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1cccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQILBJBMFWZGW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C3(C(=O)O)CCCC3)cc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAOXSWWFWQVTNV-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C3(C(=O)O)CCOCC3)cc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWSFVTDGWLQLIO-GOSISDBHSA-N", "SMILES:Nc1ncc(-c2ccc3c(c2)CC[C@H]3C(=O)O)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMYJNKQZFICCIK-UHFFFAOYSA-N", "SMILES:N#CC1(c2ccc(-c3cnc(N)c(-c4ccc(Cl)cc4)c3)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPYBMXWQSDLGOO-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(CCC(=O)O)cc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYUVOSCOPCOESA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(OCC(=O)O)cc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPQAVBMVJZKPG-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPQAVBMVJZKPG-GFCCVEGCSA-N", "SMILES:C[C@@H](Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKPKTCIIRKZNSE-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXZBNSVDQALHIB-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(OC3(C(=O)O)CCCC3)cc2)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJKCGVWWGTZAQD-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1cccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDDOZKSGRGMEEG-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRSMVVJJBSUIMU-UHFFFAOYSA-N", "SMILES:CC(C)(COc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL102953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGACIXOYTUXAW-UHFFFAOYSA-N", "SMILES:O=C(CBr)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL105712", "category": ["biolink:ChemicalEntity"], "name": "PHENACYL CHLORIDE", "xref": ["InChIKey:IMACFCSSMIZSPP-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUPVGIGAMCMBT-UHFFFAOYSA-N", "SMILES:O=C(CBr)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPIMXZAMIJJWLD-VMOUUHTRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGOGCVLTKRRTJ-XJWRJTOKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)c1ccccc1)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQRLJTJWBLQQJM-MAZHCROVSA-N", "SMILES:CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBBJKHZODGFHC-DRZSPHRISA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFMPSWJJIWBOL-GSDHBNRESA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSBWUUOKMMINBY-PMACEKPBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQUCDGUXQHFAN-WCJQXVFBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHRKJBYHWMEUCK-XLIKFSOKSA-N", "SMILES:NCCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCALYNNSGPBGJK-XLIKFSOKSA-N", "SMILES:NCCCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVMZGFNRLTGQP-CTXVOCDESA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCJMSPZLVDTGAF-YFNVTMOMSA-N", "SMILES:NCCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTHNDIZFBPILS-KEOOTSPTSA-N", "SMILES:NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQUCDGUXQHFAN-SAIQOLANSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJFXGZXSAHJNS-UCYHXSMMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUPJDSDXOLUYJV-WCJQXVFBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFOZUDFRKYCCPO-QKUYTOGTSA-N", "SMILES:NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2140173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCELLOWTHJGVIC-BGYRXZFFSA-N", "SMILES:C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2143829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBRKJBKDGCSCB-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZHIHYGDVRNOP-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCC1)Nc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNQHJQYJLVBLHB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIGKAZSYXDDBD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYGJXLFNYUDBDU-UHFFFAOYSA-N", "SMILES:CC1(CNc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGLTEGRRGTLAH-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)c1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZOSCVUGRBXEZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIFQPYLTHILYRR-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(O)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMAIGHDZPIKVKX-ZJSXRUAMSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(OCCN4C[C@H]5C[C@@H]4CO5)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTWTJJPTQLASI-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(OCCN4CCC(F)(F)CC4)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCTSASOEHREIQD-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(OCCN4CCCC45CCOC5)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIBZWELVYXSKFQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(OCCN4CCC(F)(F)C4)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUCOHICCDVVFH-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(OCCN4CC(F)C4)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCGZRHVSJZEIE-UHFFFAOYSA-N", "SMILES:CC(C)(O)C1CCN(CCOc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPDVXGQVNCQJM-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFBOAAZOOBKREO-OYRHEFFESA-N", "SMILES:C[C@@H]1CN(CCOc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PADGPGDQZXNXPT-UWUFEASWSA-N", "SMILES:C[C@@H](CN1C[C@H]2C[C@@H]1CO2)Oc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPWSKINOJYCEJK-BDTNDASRSA-N", "SMILES:C[C@@H]1CN(C[C@H](C)Oc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPWSKINOJYCEJK-BHIFYINESA-N", "SMILES:C[C@H](CN1C[C@@H](C)O[C@@H](C)C1)Oc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMYTTARDLAPFX-NRFANRHFSA-N", "SMILES:C[C@@H](CN1CCOC2(CC2)C1)Oc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEVLOWROJAGCU-NRFANRHFSA-N", "SMILES:C[C@@H](CN1CCOCC12COC2)Oc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYXUNHZQBSLOFM-NRFANRHFSA-N", "SMILES:C[C@@H](CN1CCCC12COC2)Oc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZBUHAVTBTHTM-HXUWFJFHSA-N", "SMILES:C[C@H](CN1CCOCC1)Oc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZBUHAVTBTHTM-FQEVSTJZSA-N", "SMILES:C[C@@H](CN1CCOCC1)Oc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMDNHLXXTUSBJ-HXUWFJFHSA-N", "SMILES:C[C@H](COc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMDNHLXXTUSBJ-FQEVSTJZSA-N", "SMILES:C[C@@H](COc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLMRFUXYKIGLND-JOCHJYFZSA-N", "SMILES:CN1CC[C@@H](Oc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPJIEHUDAVBLF-JOCHJYFZSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(O[C@@H]4CCN(CC(F)F)C4)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDQARJGDHKAIHX-UHFFFAOYSA-N", "SMILES:CCN1CC(Oc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KERVYJNCZZAJTP-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(OC4CN(CC(F)F)C4)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGKSZOBWZBCZFM-VSKRKVRLSA-N", "SMILES:C[C@@H]1CN([C@H](C)COc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPFDGBJSYXUVTF-KRWDZBQOSA-N", "SMILES:CO[C@@H](C)COc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGUJFZGHWXTQGW-INIZCTEOSA-N", "SMILES:C[C@H](O)COc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVQAQHCFMTBNA-QGZVFWFLSA-N", "SMILES:COC[C@@H](C)Oc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWUCNZFPZLVBE-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(OC4CCOCC4)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWWWQQYKTOUASO-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(OC4COC4)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYCWEPWKKPBMO-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccc(OCC4CCOCC4)cc2C3)oc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKEPREYYTZLLMX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(C)(C)c1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDIFJUCKYVSPSQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C1(CCOCC1)c1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSONKSFUIKVPFI-NRFANRHFSA-N", "SMILES:COC[C@@H]1c2cc(OC)ccc2Sc2c(-c3cc(=O)cc(N4CCOCC4)o3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSONKSFUIKVPFI-OAQYLSRUSA-N", "SMILES:COC[C@H]1c2cc(OC)ccc2Sc2c(-c3cc(=O)cc(N4CCOCC4)o3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGSGNCXRTWQHNP-UHFFFAOYSA-N", "SMILES:O=C1OC2(CCCCC2)c2ccn(C3CC3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDOLXTLKZVXWNF-UHFFFAOYSA-N", "SMILES:CC1(c2ccccc2)OC(=O)c2c1ccn(C1CC1)c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL300058", "category": ["biolink:ChemicalEntity"], "name": "BREQUINAR SODIUM", "xref": ["InChIKey:PZOHOALJQOFNTB-UHFFFAOYSA-M", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-].[Na+]"], "synonym": ["Brequinar sodium salt", "Brequinar sodium", "Brequinar sodium salt", "DUP 785", "DUP-785", "NSC-368390", "Brequinar sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGDMZMNHQUOCT-UHFFFAOYSA-N", "SMILES:O=C1OC2(CCCC2)c2ccn(C3CC3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIENZPZOHXCZQM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)N(C(=O)c1ccccc1I)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBNAEMVDGQOCE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)C(c1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUXYTSOUUZCQPA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL311932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIRXORZYIXSWOB-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBEXAMGPVBFUBH-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nnc(-c5ccc(F)cc5)o4)cc3)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZIJVEZXWQVGPJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4ncc(-c5ccc(F)cc5)o4)cc3)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNMOPGJWSLMPA-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Cc4nc(-c5ccc(F)cc5)no4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWNUZDDFXBLYKK-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Cc4ncc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQRKAHZWXZPBF-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Cc4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDYXOAKAQRKDK-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Cc4ncc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUIFHLAGHJBMEY-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Cc4ncc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFSRXGPQHMCODQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Cc4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMQKJNQUSBHQCK-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Cc4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNKBGRJCHYOKM-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Cc4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRAPFWEGGENQY-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccc(F)cc5)on4)cc3)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXDASISMPMKEV-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPGPBGIQAKDCL-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEHZUYIHGNNJEN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZOPGDWCJZSHG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEVVPQNPIUUTN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENFWFBUAYHIDY-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCC(C)CC4)c(OC)cc23)c(F)c1)c1nnc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBIEWQVARMZKO-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(F)c1)c1nnc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTIOMSVVIDYYDL-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1)c1nnc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROXQMTRANZGPJM-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCCC4)c(OC)cc23)c(F)c1)c1nnc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULOYVIMESVWDEX-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c(OC)cc23)c(F)c1)c1nnc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQMNKRVHAKPOB-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C(C)(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGCRZCTIXXVEC-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C(C)(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDRNSHLEUSZHG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C(C)(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFXMJVIZHTFJL-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C(C)(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVVDQLKHSASYQT-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C(C)(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKXGOGTYGBUGGX-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C4(c5nnc(-c6ccc(F)cc6)o5)CC4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSJKUWFLENKWFG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C4(c5nnc(-c6ccc(F)cc6)o5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGMRZFNTMVHRZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C4(c5nnc(-c6ccc(F)cc6)o5)CC4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITEMHRIIQMFEAG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C4(c5nnc(-c6ccc(F)cc6)o5)CC4)cc3F)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRBBFXPKIBQFKT-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C4(c5nnc(-c6ccc(F)cc6)o5)CC4)cc3F)ccnc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSDDVLMVQZUMR-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2OC(c2ccccc2[N+](=O)[O-])C1(Cl)[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZZOTZFGFVYLT-UHFFFAOYSA-N", "SMILES:COc1ccc([N+](=O)[O-])c(C2Oc3ccccc3C(=O)C2(Cl)[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTNAHULNUQDLP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2OC(c2ccccc2)C1(Br)[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGZPZFFDOYRGY-HUUCEWRRSA-N", "SMILES:O=C1c2ccccc2O[C@H](c2ccccc2[N+](=O)[O-])[C@]1(Br)[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGZPZFFDOYRGY-CABCVRRESA-N", "SMILES:O=C1c2ccccc2O[C@H](c2ccccc2[N+](=O)[O-])[C@@]1(Br)[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLOCURHOKZAIX-HZPDHXFCSA-N", "SMILES:COc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@@]2(Br)[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLOCURHOKZAIX-CVEARBPZSA-N", "SMILES:COc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@]2(Br)[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIYMICGNPQUFBS-CABCVRRESA-N", "SMILES:O=C1c2ccccc2O[C@H](c2ccccc2F)[C@@]1(Br)[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULTAVOLSMIWBCR-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2OC(c2ccccc2[N+](=O)[O-])C1(I)[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNYATFIZLCWUNO-CVEARBPZSA-N", "SMILES:COc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@]2(I)[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWOACFVEEYSIMR-UHFFFAOYSA-N", "SMILES:CC(C)CN(C)c1ccc(-n2cnc(C(=O)O)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQSFLAWBOCLCJ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-n2cnc(C(=O)O)c2)ccc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFOWNSYWRDTFA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-n2cnc(C(=O)O)c2)ccc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWGZOFFRMGEOZ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccc(-n3cnc(C(=O)O)c3)cc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSOWRGWXUWFZJF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-n2cnc(C(=O)O)c2)ccc1N1CCCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPXHIBWVKUOLAH-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2cnc(C(=O)O)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWWOFVDPOZJCD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-n2cnc(C(=O)O)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVLNGIGNMMDCV-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-n2cnc(C(=O)O)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJVNMIYFDWYBF-UHFFFAOYSA-N", "SMILES:CCC(C)Oc1ccc(-n2cnc(C(=O)O)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCOLDGOJPVLYFD-UHFFFAOYSA-N", "SMILES:CC(C)(C)COc1ccc(-n2cnc(C(=O)O)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHXOWVYNKHTOG-UHFFFAOYSA-N", "SMILES:CCC(CC)Oc1ccc(-n2cnc(C(=O)O)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDHGHACVKSPOG-UHFFFAOYSA-N", "SMILES:CCC(CC)COc1ccc(-n2cnc(C(=O)O)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNHRKQJLQQDFCG-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-n2cnc(C(=O)O)c2)ccc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWJPGFYNOQBJQO-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-n2cnc(C(=O)O)c2)ccc1OC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URFGKBZCUXRDGT-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2c[nH]c(C(=O)O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVIRJWZPFCCAGB-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2c[nH]c(C(=O)O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXDHLFBVRONLNC-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2c[nH]c(C(=O)O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRJIWCYCLKRLN-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2c[nH]c(C(=O)O)n2)ccc1OCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVYTHUVYURZCW-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2cn(C)c(C(=O)O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLIXDDKFKVHKK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc(-n3cnc(C(=O)O)c3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZUFKQHUQDLLMT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(-n3cnc(C(=O)O)c3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMILARUILTRDS-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(-n3cnc(C(=O)O)c3)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQHJBBCNRLSBW-WUFINQPMSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NCc1cc(=O)oc2cc(O)ccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRMCATPXWRGROO-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NCc2cc(=O)oc3cc(O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVBTWCGJBTVUBB-RRPNLBNLSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Oc1c2occc2cc2ccc(=O)oc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUNGTDDQHDHHT-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Oc2c3occc3cc3ccc(=O)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSIYJFPEJMTCCY-WUFINQPMSA-N", "SMILES:Cc1cc(=O)oc2cc(OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSURGPQKNWGOQG-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPMHGFQOUYBJQF-WUFINQPMSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc2ccc(N)cc2oc1=O)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYWZDOJCTBQCAX-WUFINQPMSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc2ccc(N)cc2oc1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBSOVFBPGPBMP-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2cc3ccc(N)cc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDKAUIWRPHSNL-WUFINQPMSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc2ccc(O)cc2oc1=O)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQVTHTUSFQXQY-WUFINQPMSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc2ccc(O)cc2oc1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBKDKCGILPWGDO-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2cc3ccc(O)cc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDOCQJDXPWUMBL-XZWHSSHBSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(N(C)C)ccc12)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKSCCANEQLKVSQ-XZWHSSHBSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(N(C)C)ccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWGATKOQLXGAB-IOWSJCHKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2cc(=O)oc3cc(N(C)C)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASQKNPGXHLGLML-URLMMPGGSA-N", "SMILES:COc1ccc2c(CC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNWTGRFXWHIAH-URLMMPGGSA-N", "SMILES:COc1ccc2c(CC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDLWRQUJXERNV-XZWHSSHBSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2cc(=O)oc3cc(OC)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRLETAEQULCNP-WUFINQPMSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHULGUQAALLGL-WUFINQPMSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVLJFUWZRFVKET-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2cc(=O)oc3cc(O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPTAHRDUJADCDC-WUFINQPMSA-N", "SMILES:COc1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNAXZRUGVNBYSO-WUFINQPMSA-N", "SMILES:COc1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDAYAAEEMGFQE-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccc(OC)cc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYIXMSGMIMHQU-RRPNLBNLSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccc(O)cc2oc1=O)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNGUSYGZJXCNDR-RRPNLBNLSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccc(O)cc2oc1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMJOCDMJXXFDF-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccc(O)cc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLWXEFNEFHBDLL-RRPNLBNLSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2oc1=O)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAIFRVNMGZFOG-RRPNLBNLSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2oc1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGGJEXWMXOKGP-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLVWRVNLMLSWAC-RRPNLBNLSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2oc(=O)ccc2c1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFDCAGSGKCUJIL-RRPNLBNLSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2oc(=O)ccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHIROIPIKQVRIJ-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc3oc(=O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWPHFXOMYQJGGF-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]cn1)C1CC(=O)N(c2n[nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXQHNLGSHUYBL-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]cn1)C1CC(=O)N(c2n[nH]c3c(Cl)cccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWRUTSZHRUZDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)c(-c2ccncc2)s1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTUNKPRWZJBPQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGKLCQUUVSDMP-RGVLZGJSSA-N", "SMILES:N#Cc1sc(=S)n(-c2ccccc2)c1/N=C/c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQXBWILDPXQBD-UHFFFAOYSA-N", "SMILES:CCCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCWUQQAFVXWQFZ-UHFFFAOYSA-N", "SMILES:CCCn1c(=S)sc2c(=N)n(NC(N)=O)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1625681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDHRCXUMURWBJ-LLVKDONJSA-N", "SMILES:CC[C@@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)[nH]c3C2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1562432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDHUJWLNPIBDS-MRVPVSSYSA-N", "SMILES:CC[C@@H]1CN2C(=O)N(C)c3nc(-c4cc(Cl)cc(Cl)c4Cl)[nH]c3C2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1316674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBIXJYFYPFMTN-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CCCO)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXUCDYZOPPLSL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(F)cc2F)s1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGJWVVFFNBRGB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYBNZBBHWLLPB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(C)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBWJYVUYQITPIR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(OC)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCYONGDAANJLPY-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(Cl)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTAISADZNYBMN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJTBKCWDDYQTJT-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBMZXSGMDQSHW-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)c(-c2ccccn2)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZEPHGNXKFLTDO-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(F)cc2F)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL111545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUSHFEVEROROSP-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL589080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJVLRLNAOFIPW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(NC(C)=O)sc2-c2ccncc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTAAAJWYDQOTRS-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGMKBKMVOGMLL-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(-c3sc(NC(=O)c4ccco4)nc3-c3ccccc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNTUQSKNADJQQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(-c3sc(NC(=O)c4ccco4)nc3-c3ccccc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCIAIIHXHNODHB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2)s1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKAMNUQGBWBJM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc4ccccc4c(=O)n3-c3ccc(OC)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOGMWVBGNNNFPL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc4ccccc4c(=O)n3-c3ccc(C)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVKJYBSYSNIQJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc4ccccc4c(=O)n3-c3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICNZZJYVDEKJY-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPLCYNFENUCGD-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(-c3sc(NC(=O)c4ccccc4)nc3-c3ccccc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDOWDLRLLSFBOY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(-c3sc(NC(=O)c4ccccc4)nc3-c3ccccc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXWGZIFOXZNBIR-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPBPRUPMVUKSS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(F)cc3F)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWYMWLCFHDHVAH-UKTHLTGXSA-N", "SMILES:CCCCCCCC/C=C1\\C=C(C(F)(F)F)c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPZBSKLHCUGFX-PTNGSMBKSA-N", "SMILES:CCCCCCCC/C=C1/C=C(C(F)(F)F)c2cc(OC)c(OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCGUJMFPBLPLY-KPKJPENVSA-N", "SMILES:CCCCCC/C=C1\\C=C(C(F)(F)F)c2cc3c(cc21)OCO3"]}
{"name": "Thioredoxin domain-containing protein 5", "xref": ["CHEMBL.TARGET:CHEMBL4739698"], "id": "UniProtKB:Q8NBS9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein disulfide-isomerase A6", "xref": ["CHEMBL.TARGET:CHEMBL2146308"], "id": "UniProtKB:Q15084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONCWXSXDAEGQW-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDPUPOMCIDZKAL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPQBKUJPIMIHC-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVTVPOGQHATTR-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILNXEKOABBEHAE-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVIWWMFPXBKLJ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4754781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGAOQWBIFDADD-UHFFFAOYSA-N", "SMILES:Nc1cc(N)cc(C(=O)NCCc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQTRDSSMQJGEGB-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHXVNUGAVAMHW-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(O)c(O)c1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGWDGQXPXQPLJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCc2ccc(O)c(O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBJHONDYUWTYNW-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCCCCCc2ccc(O)c(O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSWBUBGVIMWML-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCCCCc2ccc(O)c(O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOEBUYDJJCKVOO-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCCCc2ccc(O)c(O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXODZZIYOIJTBP-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCCc2cc3cccc4ccc5cccc2c5c43)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBAXJHSJEMMSLZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCCc2ccc(Br)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIADWTXTQVGASF-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCCc2ccc(Cl)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZGLDISPQDHLN-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCCc2cc(O)c(O)c(O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL245952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMYXNUMGPRHHBC-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBIKUVXTNUFLL-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCCc2ccccc2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAROLUTTYUIBGD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUSPMIYNUKGOF-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ccc(F)c(Cl)c2)c2cc(C(=O)O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBUAXWESOABDN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGWIYKLCVSDPK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)c(Cl)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWXYKDPRWWBMQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(Cl)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHUNXTCTIMUGPZ-UHFFFAOYSA-N", "SMILES:CCNc1cc(Nc2ccc(F)c(Cl)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUPLNPIWWNSGHN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)cn2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOCQCOSNJGIZNF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(Nc3ccc(F)c(Br)c3)ccc(F)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUOCKZWWIHNYOU-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccc(F)c3[nH]c(C(=O)O)cc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPQTYRWVLVEUOG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(Nc3ccc(F)c(OC(F)(F)F)c3)ccc(F)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLJZSZOZILXRU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(Nc3cc(Br)ccc3F)ccc(F)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZZIREUULFETKV-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccc(F)c3[nH]c(C(=O)O)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIAPCLICCACEO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(Nc3ccc(F)c4[nH]c(C(=O)O)cc34)ccc(F)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZSYGYKXMTWQA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2cccc3[nH]ncc23)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVPBSGLTHYJNX-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNJGBDVVRPXBIT-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNLBTCJOCZWHM-CIAFOILYSA-N", "SMILES:CCNC1=C/C(=N\\c2ccc(F)c(Cl)c2)c2cc(C(=O)O)[nH]c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEGNPZGDQMNPKB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(F)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJOITRSMVIBLIO-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCQXGBWMGZAQG-UHFFFAOYSA-N", "SMILES:CCOc1cc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPIFTMUAMKAEPX-UHFFFAOYSA-N", "SMILES:CCCOc1cc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOVKCUUBJNRLCF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(OC(F)(F)F)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIMUMTXOPYCBCS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(OC(C)C)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRGZLZAIRWHET-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(OCC3CC3)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSZQTFPQCCKFE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(OCC(F)(F)F)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRRPSSJXODGLR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(Oc3ccccc3)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHOPMMYUXRQSH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(OCc3ccccc3)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVYPMIZJROSFKG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(C)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISKGDINYSCSGQV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(C3CC3)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBUPALPCHYXVLO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)c(-c3ccsc3)c2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAJMIUWEPANPOP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)cc2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXXWIJHMPKKRQO-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXODOIGMUPKBC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(OC(F)F)cc2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKOJWNJXCBXNV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(OC(F)(F)F)cc2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGXRJJFDDXRYQM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSDTRBYNPAVOB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccc(F)nc2)c2cc(C(=O)O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNAHLDHLRFYMBG-FJCZYIGASA-N", "SMILES:CC1(C)C(=O)C(C#N)=C[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)N6CCN(c7ccc(NC(=O)CCCCCCC(=O)NO)cc7)CC6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTDUMNPQNHXGOP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2ccccc2OCCN2CCCC2)c2cccc3ccccc23)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACZQYUWEAIJNO-ANYBSYGZSA-N", "SMILES:CN1CCN(CCCOc2ccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(C#N)cc5)cc4)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDHJLALLFEBGP-HFTWOUSFSA-N", "SMILES:CN1CCN(CCCOc2ccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(F)cc5)cc4)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAYIEWGYOKUNCC-WMMMYUQOSA-N", "SMILES:CN1CCN(CCCCCOc2ccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(F)cc5)cc4)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUNZLNYNJJXCJ-WMMMYUQOSA-N", "SMILES:CN1CCN(CCCCCOc2ccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(Cl)cc5)cc4)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVHLBZPIMRENG-WMMMYUQOSA-N", "SMILES:CN1CCN(CCCCCOc2ccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(Br)cc5)cc4)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHPUWZZYKQOTP-QLTSDVKISA-N", "SMILES:COc1ccc(Oc2ccc(/C=C3\\SC(=O)N(c4ccc(OCCCCCN5CCN(C)CC5)cc4)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANXDEJQULLOSH-QLTSDVKISA-N", "SMILES:Cc1ccc(Oc2ccc(/C=C3\\SC(=O)N(c4ccc(OCCCCCN5CCN(C)CC5)cc4)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBNHFUQIIUGDY-WMMMYUQOSA-N", "SMILES:CN1CCN(CCCCCOc2ccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(N)cc5)cc4)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHZUNMWBFGOSIE-TZHWMEPESA-N", "SMILES:CC(=O)Nc1ccc(Oc2ccc(/C=C3\\SC(=O)N(c4ccc(OCCCCCN5CCN(C)CC5)cc4)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGCHXUFVSRHLA-SWKFRHMKSA-N", "SMILES:CN1CCN(CCCCCOc2cccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(F)cc5)cc4)C3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAMHSBXKDGBUEA-SWKFRHMKSA-N", "SMILES:CN1CCN(CCCCCOc2cccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(Cl)cc5)cc4)C3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUEAXNIYSXGILE-SWKFRHMKSA-N", "SMILES:CN1CCN(CCCCCOc2cccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(Br)cc5)cc4)C3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXXWVOLDCVUKL-SXBRIOAWSA-N", "SMILES:Cc1ccc(Oc2ccc(/C=C3\\SC(=O)N(c4cccc(OCCCCCN5CCN(C)CC5)c4)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSEULJMGRQUSRI-SXBRIOAWSA-N", "SMILES:COc1ccc(Oc2ccc(/C=C3\\SC(=O)N(c4cccc(OCCCCCN5CCN(C)CC5)c4)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNGGQIJJYMTOW-SWKFRHMKSA-N", "SMILES:CN1CCN(CCCCCOc2cccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(N)cc5)cc4)C3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFHVPKDACFHKK-SWKFRHMKSA-N", "SMILES:CN1CCN(CCCCCOc2cccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)C3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGVVJUJECYJWAR-VAMRJTSQSA-N", "SMILES:CN1CCN(CCCCCOc2cccc(N3C(=O)S/C(=C\\c4ccc(Oc5ccc(C#N)cc5)cc4)C3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAICQISDXNNOQ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(c(-c3ccc(Cl)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCMGBDSRPLGPDH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDDYPASMRPXAV-UHFFFAOYSA-N", "SMILES:N=c1c2c(-c3ccc(Cl)cc3)cn(-c3ccc(S(N)(=O)=O)cc3)c2ncn1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HINIYEZKFYKDJO-ZMOGYAJESA-N", "SMILES:CCO/C=N/c1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSWJWUKPITTJW-VWJSQJICSA-N", "SMILES:CN(C)c1ccc(/C=N/Nc2ncnc3c2c(-c2ccc(Cl)cc2)cn3-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEVVTZADBQJIT-VVEOGCPPSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(N/N=C/c4ccc([N+](=O)[O-])cc4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCAXWAOVZJPPEF-VVEOGCPPSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(N/N=C/c4cccc([N+](=O)[O-])c4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIIAWOKNGQJSAR-IURWMYGYSA-N", "SMILES:COc1cc(/C=N/Nc2ncnc3c2c(-c2ccc(Cl)cc2)cn3-c2ccc(S(N)(=O)=O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUCIQZTYLFDGB-VVEOGCPPSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(N/N=C/c4ccccc4O)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYOQXUERREJAL-XAZZYMPDSA-N", "SMILES:COc1ccc(/C=N/Nc2ncnc3c2c(-c2ccc(Cl)cc2)cn3-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKMIZNOPIHXLV-AMVVHIIESA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(N/N=C/c4ccccc4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSIFOXWXDSXKH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NCc4ccccc4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKIIONRSGSPOPR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(Nc4ccccc4C(=O)O)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTJWMKLYRIRWMN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(Nc4ccc(Cl)cc4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPWJXZSJOPCILT-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2c(-c2ccc(Cl)cc2)cn3-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYSXVNOVAJFVIL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOSZOPHVXNGMA-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncnc3c2c(-c2ccc(Cl)cc2)cn3-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZDIYSSZVNWOI-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnc3c2c(-c2ccc(Cl)cc2)cn3-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFYUNZYSZQCNC-UHFFFAOYSA-N", "SMILES:NNc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAOLLRVIWFMSMX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMICSZRNVKWCO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(=O)[nH]cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHGVECRVCWGHB-OKCVXOCRSA-N", "SMILES:CN(C)c1ccc(/C=N/c2c(C#N)c(-c3ccc(Cl)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEINPWRSVRHLNM-CCVNUDIWSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1/N=C/c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMRWAGSMOLQNQI-CCVNUDIWSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1/N=C/c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDJLPPEIVKQGI-IPPBACCNSA-N", "SMILES:COc1cc(/C=N/c2c(C#N)c(-c3ccc(Cl)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHDMMDQFZTVJM-CCVNUDIWSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1/N=C/c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRJABSSYPXPUJQ-WKULSOCRSA-N", "SMILES:COc1ccc(/C=N/c2c(C#N)c(-c3ccc(Cl)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYJHRJCOLSVOC-RWPZCVJISA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1/N=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCYGSLYRLCMMV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEJIOUQDWXUSQY-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)O)c(-c2ccc(Cl)cc2)cn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTUJINOQEQGXDS-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVRZFSHIDJNNFA-UHFFFAOYSA-N", "SMILES:Nc1ncc(NCc2ccc(CCNC(=O)c3ccc(F)cc3)cc2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWSJFBJORCEAK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMFFISSODJRDV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(Cl)cc4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACIKQQRYJOYXOE-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2cc(OC)c(OC)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJOBBHGHSIRVOR-XMMPIXPASA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCC(c3nc(-c4ccccc4)no3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKXVFJGHNBUXQF-XMMPIXPASA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCC(n3cc(-c4ccccc4)nn3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAAJNAMUPMCDNN-RUZDIDTESA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCC(c3nc(-c4ccccc4)cs3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLZGTAAHBSPLP-RUZDIDTESA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCC(c3nc(-c4ccccc4)c[nH]3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALQLOTCZNJDCIK-RUZDIDTESA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCC(c3ncc(-c4ccccc4)o3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOECVSWMXJTZKJ-RUZDIDTESA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCC(c3cc(-c4ccccc4)on3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYQRWBTVEHPFOL-HSZRJFAPSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCC(c3nnnn3-c3ccccc3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDICARXPRUZQI-HSZRJFAPSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3nc(-c4ccccc4)no3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHCCCMJLDLHRZ-HSZRJFAPSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3nc(-c4ccccc4)ns3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGJMYAEDKVWNP-HSZRJFAPSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3nnc(-c4ccccc4)[nH]3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFPTTXFHGIMSF-RUZDIDTESA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3cc(C)nn3-c3ccccc3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHTVNQPSNEOCZ-XMMPIXPASA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3nc(-c4ccccc4)cs3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIJXIAZXZYHZMV-HSZRJFAPSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3noc(-c4ccccc4)n3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1422", "category": ["biolink:ChemicalEntity"], "name": "SITAGLIPTIN", "xref": ["InChIKey:MFFMDFFZMYYVKS-SECBINFHSA-N", "SMILES:N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F"], "synonym": ["Sitagliptin", "Sitagliptin", "Sitagliptin", "Sitagliptin", "Sitagliptine", "Sitagliptina", "Sitagliptin", "Sitagliptin", "Zituvio", "LEZ-763", "LEZ763", "Sitagliptin component of zituvimet", "Zituvio", "Sitagliptin"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4785060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSXNUMPFSXIGA-OAQYLSRUSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3ncc(C)cn3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBVVJLIPZFEJZ-JOCHJYFZSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3ncc(CC)cn3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKCFKRWJQCIMEH-HSZRJFAPSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3ncc(CCC)cn3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDRLDSLPILSNPN-HXUWFJFHSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3ncc(OC)cn3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFJNADMSLWRJC-HXUWFJFHSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3ncc(F)cn3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GADYMGJDEMGYOZ-HXUWFJFHSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3ncc(C(F)(F)F)cn3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPRVNWAAZZTJY-GNAFDRTKSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3nc(-c4ccccc4)no3)CC1)c(=O)n2C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUECGMSTCZZMSA-FNORWQNLSA-N", "SMILES:C/C=C/Cc1cc(-c2oc3c(C(C)(C)CC)c(O)cc(O)c3c(=O)c2O)cc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457303", "category": ["biolink:ChemicalEntity"], "name": "BROUSSONOL E", "xref": ["InChIKey:NQBROFAEMRVICP-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc(-c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2O)cc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL115452", "category": ["biolink:ChemicalEntity"], "name": "BROUSSOCHALCONE A", "xref": ["InChIKey:FEALTYYKRMRXTG-QPJJXVBHSA-N", "SMILES:CC(C)=CCc1cc(C(=O)/C=C/c2ccc(O)c(O)c2)c(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL454551", "category": ["biolink:ChemicalEntity"], "name": "L-RADICAMINE A", "xref": ["InChIKey:NEAQPVOYHYPSER-BVALORAHSA-N", "SMILES:COc1ccc([C@@H]2N[C@@H](CO)[C@H](O)[C@H]2O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4783560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPXIQPSCKPBLH-NAKRPEOUSA-N", "SMILES:OC[C@@H]1N[C@@H](c2ccc(O)cc2)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1230107", "category": ["biolink:ChemicalEntity"], "name": "CASUARINE", "xref": ["InChIKey:AXTGOJVKRHFYBT-XAZAIFFQSA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O)CN21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4745678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENOHUSGKRMHOH-LDMAEGJFSA-N", "SMILES:CC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13311", "category": ["biolink:ChemicalEntity"], "name": "CHROMONE", "xref": ["InChIKey:OTAFHZMPRISVEM-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL42624", "category": ["biolink:ChemicalEntity"], "name": "PHYSCION", "xref": ["InChIKey:FFWOKTFYGVYKIR-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL382280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSMBKKLWWRPLBX-NTEUORMPSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)/C=C/c3ccc(O)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRNCTMNXYLSQM-YRNVUSSQSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)/C=C/c3ccc(O)c(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEAUELSIXURQB-UUILKARUSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc(O)c(O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOEFCBNEKOUUPE-WZUFQYTHSA-N", "SMILES:O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4796653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXKCUUNCTLIBGQ-GHXNOFRVSA-N", "SMILES:O=C1Nc2cc(Cl)ccc2/C1=C/c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUZFZXFUTRKCNE-SXGWCWSVSA-N", "SMILES:CC(C)c1ccc(/C=C2\\C(=O)Nc3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZAIHICPBLZNQ-AWEZNQCLSA-N", "SMILES:OCc1ccc2n1C[C@@H](c1ccc(O)cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765390", "category": ["biolink:ChemicalEntity"], "name": "(E)-BUTYLIDENEPHTHALIDE", "xref": ["InChIKey:WMBOCUXXNSOQHM-DHZHZOJOSA-N", "SMILES:CCC/C=C1/OC(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQTPOQHUZLUXJO-ZDLGFXPLSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\\c1ccc(CO)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYDZRATWSOKKDK-NHDPSOOVSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\\c1ccc(CO)n1CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZEQCEOUIYTYBC-YVLHZVERSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\\c1ccc(CO)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDHPUYNGXPVLP-MFOYZWKCSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\\c1ccc(CO)n1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUAROXLBJZMRIJ-ODLFYWEKSA-N", "SMILES:CCOC(=O)c1ccc(-n2c(/C=C3\\OC(=O)c4c3cc(C)[nH]c4=O)ccc2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKPNGKXDFNCSEZ-JAJWTYFOSA-N", "SMILES:C[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL478960", "category": ["biolink:ChemicalEntity"], "name": "MACLURAXANTHONE", "xref": ["InChIKey:XRVLGJCHUWXTDX-UHFFFAOYSA-N", "SMILES:C=CC(C)(C)c1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C=CC(C)(C)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL197916", "category": ["biolink:ChemicalEntity"], "name": "CUDRAXANTHONE L", "xref": ["InChIKey:LVKPSBFBKBJJOB-UHFFFAOYSA-N", "SMILES:C=CC(C)(C)c1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)cc3c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2260735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRNOKNVNSKDQZ-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2cc(O)c(O)c(O)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3407639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKOAAQNLWZMHN-YDZHTSKRSA-N", "SMILES:O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQZRQIBKSMUKMH-XDYSBYRGSA-N", "SMILES:CC(/C=C/C=C/C=C/C=C(\\C)C(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O)=C\\[C@H](C)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMJGMNMJIYYAM-ZSOIEALJSA-N", "SMILES:C#CCn1c(/C=C2\\OC(=O)c3c2cc(C)[nH]c3=O)ccc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRQTNOVJURUKW-ZSOIEALJSA-N", "SMILES:C=CCn1c(/C=C2\\OC(=O)c3c2cc(C)[nH]c3=O)ccc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONLSJXRXIWMBPE-UNOMPAQXSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\\c1ccc(CO)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZJDHHSAIANKRS-MFOYZWKCSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\\c1ccc(CO)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMLDTTQUUIMSBL-MFOYZWKCSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\\c1ccc(CO)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYSPNORRAVUPH-ZDLGFXPLSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\\c1ccc(CO)n1-c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNLPTVTRPCCHO-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1cnc2cc(N)c(-c3ccccc3O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPLEWGQWULTHY-UHFFFAOYSA-N", "SMILES:NCCOc1ccc(Cc2ccc(N)cc2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFGJJSCNOPKUGS-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCN)cc(C)c1Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWSRLRKOGIGMSJ-UHFFFAOYSA-N", "SMILES:CCNc1ccc(Cc2ccc(OCC(=O)O)cc2)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXHYPIOBUKIKHV-UHFFFAOYSA-N", "SMILES:CCNc1ccc(Cc2c(C)cc(OCC(=O)O)cc2C)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGOIDGBKAPXHM-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cc2ccc(OCC(=O)O)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRLSPWIANDUIN-UHFFFAOYSA-N", "SMILES:Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(N)c(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZDOHLGFNXPMME-UHFFFAOYSA-N", "SMILES:Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMONNLADWPHPX-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSUUVZYCIDQKV-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXLFYUUESQKHV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2cccc(OC(=O)NCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZSMZNMZPBQFC-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(OC(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQYJFMEVSYGBX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2cccc(OC(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKKHZMANPWMSD-SGNKCFNYSA-N", "SMILES:COc1ccc2c(cccc2[C@H]2CO[C@H](CCCNC(=O)OCC(N)=O)OC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCPUKSPLNYRFDR-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(Cc2nc3ccccc3n3cccc23)CC1)n1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LALNVBRCBCNEMZ-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(Cc2nc3cc(F)ccc3n3cccc23)CC1)n1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCISKVILAJBBSP-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(Cc2nc3cc(Cl)ccc3n3cccc23)CC1)n1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTGAVVMPBXOMK-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(nc(CN3CCN(C(=O)n4cncn4)CC3)c3cccn32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDECNKVKYRHKJQ-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(Cc2nc3ccccc3n3cccc23)CC1)n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVDTLYNOSSODN-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(Cc2nc3cc(F)ccc3n3cccc23)CC1)n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXVVHSWZWSLAJ-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(Cc2nc3cc(Cl)ccc3n3cccc23)CC1)n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEPVTALRMOGGND-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(nc(CN3CCN(C(=O)n4nnc5ccccc54)CC3)c3cccn32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWPVKUPWGDOINQ-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(NCc2nc3cc(F)ccc3n3cccc23)CC1)n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXXMCFDDCUOPD-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(nc(CNC3CCN(C(=O)n4nnc5ccccc54)CC3)c3cccn32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YALNECJJEXUTJN-UHFFFAOYSA-N", "SMILES:O=C(NCCCc1ccccc1)n1cc(C(F)(F)F)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKCHTGDYKXWRTD-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(-c2ccccc2)cc1)n1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URIQHRVESCIELP-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460499", "category": ["biolink:ChemicalEntity"], "name": "CARMOFUR", "xref": ["InChIKey:AOCCBINRVIKJHY-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O"], "synonym": ["Carmofur", "Carmofur", "Mifurol", "NSC-758963"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPTUXPDIPUELG-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cn(C(=O)NCCCCCCCc2ccccc2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZFUVDFEDIGBQW-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cn(C(=O)NCCCc2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALICXLQJVIBIS-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cn(C(=O)NCCCCc2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOGFPFEQNRKFH-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1cc(C#N)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLOTZYIDCPZLI-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1cc(OC(C)=O)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWVMJFBDGWVML-UHFFFAOYSA-N", "SMILES:CN(C(=O)n1cnc(-c2ccc[n+]([O-])c2)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMENJRFBYBHYLR-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc21)c1nc2cc(Oc3ccccc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIWWYOAJFISGAN-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBNLJDAYAKSRJW-UHFFFAOYSA-N", "SMILES:N#CNC(COc1ccc(Oc2ccccc2)cc1)Cn1ncnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHUVZKPICDCFC-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(C(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQPIMWXKNEXQL-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPVKAWXWCMBANY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(cnn2CC(=O)COc2ccc(Oc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJFARGDJAISIY-UHFFFAOYSA-N", "SMILES:COCC(=O)Nc1ccc2c(cnn2CC(=O)COc2ccc(Oc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGFBOIGDLYNQID-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(NC(=O)CO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOQYBKOGLMXLX-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc2c(cnn2CC(=O)COc2ccc(Oc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFYWMBUVIGMDL-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(NC(=O)Oc3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECBIBUMMZMARA-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPKGRWRYUMUSG-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1ccc2c(cnn2CC(=O)COc2ccc(Oc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSOCAFYDGOJON-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(NC(=O)NC3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPSTBBULURZSN-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(NC(=O)Nc3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEMIRNOGYRAXQT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1ccc2c(cnn2CC(=O)COc2ccc(Oc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDHCYWSACGUBB-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(C(=O)NS(=O)(=O)c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRUTWBNHMXUKI-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(C(=O)NS(=O)(=O)C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYXKQTWUNAINA-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccccc1-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXQNANFCJHVPP-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABLFBMYBCIPDMR-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRONTYDGUJIRB-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYSQDBURUZADDZ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc(-c2nc3ncccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APABIOATXROQGJ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nc3ncccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXQNKRCLAUNPW-SNAWJCMRSA-N", "SMILES:CCC/C=C/COCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKMOPPUQLIGSD-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2nc3ncccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWGARVWVUQDNK-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccccc1-c1nc2ncccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPWZRVZVLMTUQR-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1-c1nc2ncccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRSEQTYGDAIAF-QPJJXVBHSA-N", "SMILES:CCC/C=C/COCC(=O)Nc1ccccc1-c1nc2ncccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNJDBBPWEXDTKE-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc(-c2nc3cccnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYCYTKZNNJWCP-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nc3ncccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQFNQXOCXILHCU-SNAWJCMRSA-N", "SMILES:CCC/C=C/COCC(=O)Nc1cccc(-c2nc3cccnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHBCZCODVPSEK-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2nc3ncccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRKAUYGVVIDOZ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2nc3ncccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYQFOUDUKZRBD-AATRIKPKSA-N", "SMILES:CCCC/C=C/COCC(=O)Nc1ccc(-c2nc3ncccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLPOACSDWBZPR-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4740745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGZVUGYCNSKEF-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODKAOYHTKDSLJ-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTSOZLRZUPIBAC-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYZKLNIASJRFD-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHIGGZFXRRWOW-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)C(C)c2ccc(CC(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBJDVDLLBQXGW-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBNOQATHSVTFH-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)C(C)c1ccc(CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZVMDRCWLWPJOW-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLERDCRAMCUCSJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)C(C)c2ccc(CC(C)C)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPIXYYNFWIBWRE-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPQYLFEWDDIPC-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZULKSPPXWNOOU-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2cc(Cl)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUQCVJJFCLANGN-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)N2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFBQQJGLVOOFV-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWKKYVPBXGCIH-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELBDECXAGAUFY-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMXOPKTXXPEYEL-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWAUWCYVVJZFRG-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEJMIHPNOMNFD-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXDXERKUSTMQG-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFRVPPOYKZQNFW-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJXFNENCBXAMCX-IBGZPJMESA-N", "SMILES:CCSc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOEQPDYTFQLEOK-SFHVURJKSA-N", "SMILES:CCOc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNPAPLTAKSZEE-KRWDZBQOSA-N", "SMILES:O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRYZSXXSSNCKT-SFHVURJKSA-N", "SMILES:CSc1ccc([C@@H](O)CNc2cc(-c3ccc(C(F)(F)F)c(Cl)c3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBXQRWDLCOYSX-KRWDZBQOSA-N", "SMILES:O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQXAWYKZYPICX-KRWDZBQOSA-N", "SMILES:O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQGKXQXUYGVIO-KRWDZBQOSA-N", "SMILES:O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMOXUWIUESYJFL-SFHVURJKSA-N", "SMILES:N#Cc1ccc([C@@H](O)CNc2cc(-c3ccc(C(F)(F)F)c(Cl)c3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDFFNCPPVLXFC-SFHVURJKSA-N", "SMILES:N#Cc1cccc([C@@H](O)CNc2cc(-c3ccc(C(F)(F)F)c(Cl)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPNRPVRFBHJHIG-KRWDZBQOSA-N", "SMILES:O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRASIVWMMGLKBL-KRWDZBQOSA-N", "SMILES:O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNLZOUHNJDLLU-SFHVURJKSA-N", "SMILES:N#Cc1cc([C@@H](O)CNc2cc(-c3ccc(C(F)(F)F)c(Cl)c3)ncn2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJZLXVNWZQKAO-KRWDZBQOSA-N", "SMILES:O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFFUJDQJHFBRB-KRWDZBQOSA-N", "SMILES:O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMYQFOLLONODX-ZXVVBBHZSA-N", "SMILES:O=C1/C(=N/c2nc3ccccc3[nH]2)c2ccccc2N1C(=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXHELLMCCEDJG-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKCNXGHHHVDGY-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XABLPODUNDALCF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(Cl)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRSFZRQSHCURRA-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(-c4c[nH]nn4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCLCSXYBIVCBKA-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEJZZQEYHWWEA-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(-c4cn(CCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNPATMUAJOWLGL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(-c4cn(CCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMQVUIZIOZVSD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(-c4cn(CCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGUNPSWTPSQLZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(-c4cn(CCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXOUQSZKEPSXBC-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCC(CO)CC5)nc(Nc5ccc(F)cc5)nc4cn3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWLPWTDAYPOQGR-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3c(NC(=O)CCCCCCCN4CCN(c5ccc(Nc6cc7c(N8CCC(CO)CC8)nc(Nc8ccc(F)cc8)nc7cn6)nc5)CC4)cccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCTCXOPSLJEXKE-FEDPBZRBSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCN2CCN(c3ccc(Nc4cc5c(N6CCC(CO)CC6)nc(Nc6ccc(F)cc6)nc5cn4)nc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQQRMISZWWMKBM-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(CCCC(=O)OC2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3c-2nc2ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc2c3CC)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIZDMWIBNVIPS-BUHFOSPRSA-N", "SMILES:Nc1n[nH]c(N)c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZCKOCJJKFUQH-QURGRASLSA-N", "SMILES:Nc1nn2cc(-c3ccccc3)[nH]c2c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCOMXHKFLHYDN-GHVJWSGMSA-N", "SMILES:Cc1ccc(-c2cn3nc(N)c(/N=N/c4ccc(S(N)(=O)=O)cc4)c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKROTJQYVKKBP-GHVJWSGMSA-N", "SMILES:Nc1nn2cc(-c3ccc(F)cc3)[nH]c2c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBRGTQDAHIIWBV-GHVJWSGMSA-N", "SMILES:Nc1nn2cc(-c3ccc(Cl)cc3)[nH]c2c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQUUIQYQFCYDD-GHVJWSGMSA-N", "SMILES:Nc1nn2cc(-c3ccc(Br)cc3)[nH]c2c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOOYRRCOJRNTCR-GHVJWSGMSA-N", "SMILES:Nc1nn2c(-c3ccccc3)ccnc2c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJDLSZXXWPOVFP-WCWDXBQESA-N", "SMILES:Cc1ccc(-c2ccnc3c(/N=N/c4ccc(S(N)(=O)=O)cc4)c(N)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGVFQMGKHGCER-WCWDXBQESA-N", "SMILES:Nc1nn2c(-c3ccc(F)cc3)ccnc2c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANPPRZRKIIVFGL-WCWDXBQESA-N", "SMILES:Nc1nn2c(-c3ccc(Cl)cc3)ccnc2c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJWECUQRFSGFO-WCWDXBQESA-N", "SMILES:Nc1nn2c(-c3ccc(Br)cc3)ccnc2c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMZCHLZLVYKQMW-WCWDXBQESA-N", "SMILES:COc1ccc(-c2ccnc3c(/N=N/c4ccc(S(N)(=O)=O)cc4)c(N)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDPDGPVDPXHDH-GHVJWSGMSA-N", "SMILES:Nc1nn2c(-c3ccc([N+](=O)[O-])cc3)ccnc2c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWLBRDPBOUDNES-QZQOTICOSA-N", "SMILES:Nc1nn2c(-c3cccs3)ccnc2c1/N=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJFFHRRJCAICV-OCEACIFDSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(N)nn2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEZNUNKXXLJEK-CYYJNZCTSA-N", "SMILES:Cc1ccc(-c2nc3c(/N=N/c4ccc(S(N)(=O)=O)cc4)c(N)nn3c(N)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJIXIUEAFCSGI-CYYJNZCTSA-N", "SMILES:N#Cc1c(-c2ccc(F)cc2)nc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(N)nn2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMQUJAWFSZRIKT-CYYJNZCTSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)nc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(N)nn2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOYOUJUULDCBIC-CYYJNZCTSA-N", "SMILES:N#Cc1c(-c2ccc(Br)cc2)nc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(N)nn2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2169919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXRGFPHDRFQODR-ICLZECGLSA-N", "SMILES:CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1889068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPGWRAWJUJHNE-QTQZEZTPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1701619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIRGWHQMUQZUOK-FZGCSJHNSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccc(OCC(=O)Nc3ccccn3)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3183870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLPUAPTMASLLR-ULJVLRHISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@@H](N)Cc2ccc(C(=O)c3ccccc3)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKDNGPFENLMDRC-ICIXTEEHSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1719780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHIXKIKVTDIEKW-HAXDFEGKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccc(OCC(=O)Nc3nccs3)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1704660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRQQJSQCGBLRCC-UMCMBGNQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccc(OCc3ccccc3)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1723900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAIWQEPZCBJCFB-QTOWJTHWSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@@H](N)Cc2ccc(C(F)(F)F)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1707713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIFHBRREXDFCW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ncn(CC(=O)NCc3nc4ccccc4[nH]3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1700259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXSFNVMXJMPIJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ncn(CC(=O)NCc3ccc4c(c3)OCO4)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1992678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDPUDXUVUCCPQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(CCCNCc2ccc3c(c2)OCO3)c(=O)n1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOXWJCZSSMLTF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(CCCN2CCC(c3ccccc3)CC2)c(=O)n1)OCc1ccccc1"]}
{"name": "Histone H3 methyltransferase DOT1 variant d", "xref": ["CHEMBL.TARGET:CHEMBL4739691"], "id": "UniProtKB:Q679P4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAZCGKIQYIHLD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ncn(CC(=O)NCc3ccc4[nH]ncc4c3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGNUGZZTITRDZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ncn(CC(=O)NCc3ccc4c(N)nccc4c3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXUMEIKBRRTYMR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ncn(CC(=O)NCCn3ccc4c(N)ncnc43)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHNTZIOTDIXPEK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ncn(CC(=O)NCCn3cnc4[nH]ccc4c3=O)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUWMXWLMGCVMOJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCc3ccc4c(c3)OCO4)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKVZOVWZAGDET-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCc3ccc4[nH]ncc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFNVUPGNZEXOI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCc3ccc4c(N)nccc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVUBPKAABPFHR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCCn3ccc4c(N)ncnc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKFIIPMUISEER-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NC(=O)c3ncn(CC(=O)NCc4ccc5c(c4)OCO5)n3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJXSPFKPRKQKX-UHFFFAOYSA-N", "SMILES:Nc1nccc2cc(CNC(=O)Cn3cnc(C(=O)NC4CCCCC4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMVAXIURPPRBZ-MRVPVSSYSA-N", "SMILES:NS(=O)(=O)N1CC[C@H](CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNXRIEPYYJMBHW-MWLCHTKSSA-N", "SMILES:NS(=O)(=O)N[C@@H]1CCC[C@@H](CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHULSMKKFXOAQD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)N1CCCC(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMVAXIURPPRBZ-QMMMGPOBSA-N", "SMILES:NS(=O)(=O)N1CC[C@@H](CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJKNBQWZESIJKO-VIFPVBQESA-N", "SMILES:NS(=O)(=O)N1CCC[C@@H](CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJKNBQWZESIJKO-SECBINFHSA-N", "SMILES:NS(=O)(=O)N1CCC[C@H](CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJNWWKLEXDSIQE-JTQLQIEISA-N", "SMILES:NS(=O)(=O)N1CCCC[C@H]1CNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEJGTMLSPHRPR-JTQLQIEISA-N", "SMILES:CS(=O)(=O)N1CCC[C@H]1CNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEJGTMLSPHRPR-SNVBAGLBSA-N", "SMILES:CS(=O)(=O)N1CCC[C@@H]1CNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJDRWXZSDTVPV-VIFPVBQESA-N", "SMILES:CS(=O)(=O)N1CC[C@@H](CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYSCDNIOXVFKA-JTQLQIEISA-N", "SMILES:CS(=O)(=O)N1CCC[C@@H](CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYSCDNIOXVFKA-SNVBAGLBSA-N", "SMILES:CS(=O)(=O)N1CCC[C@H](CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJNWWKLEXDSIQE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)N1CCCCC1CNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJKNBQWZESIJKO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)N1CCCC(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLLOOKESHRCFX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)N1CCC(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYSCDNIOXVFKA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCC(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGWNXEPMSRPMED-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCCC1CNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSGKCQRAGDMSDT-UHFFFAOYSA-N", "SMILES:O=S(=O)(C(F)F)N1CCCC(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEEVOPHKDCHZGJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCCC(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRCGPWYZWZVGU-UHFFFAOYSA-N", "SMILES:O=S(=O)(C1CC1)N1CCCC(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWTOQKMGIJUYMP-UHFFFAOYSA-N", "SMILES:O=S(=O)(N1CCCC1)N1CCCC(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDFEYXOSGUBLB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCCC(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMVAXIURPPRBZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)N1CCC(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEJGTMLSPHRPR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCC1CNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJDRWXZSDTVPV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJDRWXZSDTVPV-SECBINFHSA-N", "SMILES:CS(=O)(=O)N1CC[C@H](CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1400", "category": ["biolink:ChemicalEntity"], "name": "O-DESMETHYL TRAMADOL", "xref": ["InChIKey:UWJUQVWARXYRCG-HIFRSBDPSA-N", "SMILES:CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIIXRLYEEBMXML-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Nc2ccccc2)CCC1(O)c1cccc(O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLQSBRVVFUIJEP-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Nc2cccc(Cl)c2)CCC1(O)c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJRWIZOOBCRDZ-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Nc2ccccc2)CCC1(O)c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDYZZPMUJKDOV-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Nc2ccc(Cl)cc2)CCC1(O)c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777938", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHAPVMXAOPDEA-UHFFFAOYSA-N", "SMILES:Nc1cc(NCc2ccc(-c3ccccc3)cc2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRXODKITUOMRY-UHFFFAOYSA-N", "SMILES:O=C1CCCCCNCc2ccc(cc2)-c2ccc(cc2)CNCCCCCC(=O)N(Cc2ccccc2)CCCCCCCCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXCYURXLPDSLCM-UHFFFAOYSA-N", "SMILES:O=C1CCCCCNCc2ccc(cc2)Cc2ccc(cc2)CNCCCCCC(=O)N(Cc2ccccc2)CCCCCCCCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBGAUAWHOHYUQX-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCc1ccc(CNCCCCCCCCCCCCNCc2ccc(CNCc3ccccc3OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCLNFWOGCMSRN-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(-c3cc(O)cc(O)c3)c(-c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUGLTPVTBPKRW-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(N)nc(CCc3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJTYMHBCGPLNLL-UHFFFAOYSA-N", "SMILES:Nc1cc(NCc2ccccc2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1993081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGPIDFUQBUOEF-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)cc(NCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMLHSTQYEXDKIJ-UHFFFAOYSA-N", "SMILES:Nc1cc(NCc2ccc(F)cc2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBYVVQGJJDBRKH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYDAOYIYVNTGB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2cc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL300982", "category": ["biolink:ChemicalEntity"], "name": "LICOFELONE", "xref": ["InChIKey:UAWXGRJVZSAUSZ-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1"], "synonym": ["Licofelone", "Licofelona", "Ml 3000", "ML-3000"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4749298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPXNWIEBIICBE-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1-c1ccn(C(F)F)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJHPSLHBFFDDL-ONNFQVAWSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODONJYHQLFETIU-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCQMTBCFYCNLNE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKTZKKFSWSOOE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVUWALJFNFHFRG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVJNVQOASNRCPZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVVWKOHAGUANW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYQPHNACFSEKS-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1c[nH]nc1C(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCVXKZVMRAMMM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHAMBNBPWTKKM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDISTHVXIDEOW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAKAFLGWJGGQH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSEJOGWPLPVNPP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGKAXYDZYIVNNQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFJRPDHNYZLSRH-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1c[nH]nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYZDPPLEIVDWAH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSPVTZDZYACAR-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFDNTTYCONJEOJ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJODQQPWHOFGRY-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGRRCCRFVCAPIZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTRLORQBQHBCKC-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNFXYCKAPALJMO-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1c[nH]nc1C(=O)Nc1ccc(CC(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHEHEJDHWXPEEB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBUBJDKRYUCORK-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTZJTSIMEQJRIW-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGRGUBLZUZBHCP-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1c[nH]nc1C(=O)Nc1ccc(CC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMIUHMAHBRANU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUMQVZAAQKTSX-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXHHICFWKXDFOW-BJMVGYQFSA-N", "SMILES:Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQVRHWIZZFOWBI-PUAOIOHZSA-N", "SMILES:COc1ccc(-c2cc3cnn([C@H](C)[C@](O)(Cn4cncn4)c4ccc(F)cc4F)c(=O)n3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMCBFHEUIRYEI-BXVWHTCBSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "Ephrin type-A receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4105859"], "id": "UniProtKB:Q03145", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMCBFHEUIRYEI-XHPWGDQZSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRZNZUGMTKPDOO-RMXYKXGFSA-N", "SMILES:CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCISCPBMOQIERU-JSJOAQFKSA-N", "SMILES:CCCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMFVMIKYYVDEJ-RORUDZPBSA-N", "SMILES:CCCCCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXDBOBBWKMUIMU-WCLVQGQUSA-N", "SMILES:CCCCCCCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQIPPURJOMWCW-CUYCEIPOSA-N", "SMILES:CC(C)NC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBHFYWLQYQDDAL-GOBNXBNUSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)NC5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDNOGTDKGLRKRH-GOBNXBNUSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)Nc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAAZTHVEPPRZQA-AIDMMIJQSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAAZTHVEPPRZQA-GJNKDAHUSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZDJKWCLKGBXIC-LRVDEVEJSA-N", "SMILES:CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)N[C@H](CC(=O)O)Cc4c[nH]c5ccccc45)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZMUBQQYVQFCT-MYRKAAMJSA-N", "SMILES:CCCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)N[C@H](CC(=O)O)Cc4c[nH]c5ccccc45)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBCQICNFMVTNL-FVSYVOCDSA-N", "SMILES:CCCCCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)N[C@H](CC(=O)O)Cc4c[nH]c5ccccc45)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHRSZIHASJYMV-FLSIBMCVSA-N", "SMILES:CCCCCCCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)N[C@H](CC(=O)O)Cc4c[nH]c5ccccc45)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJMOJQQOWJUIM-WZYCFLAOSA-N", "SMILES:CC(C)NC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)N[C@H](CC(=O)O)Cc4c[nH]c5ccccc45)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFZKIGYPITPOI-OUPOGIBASA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)NC5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHSPWEPXHHMTBG-OUPOGIBASA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)Nc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGYYGEYIQBZUCC-ZOOAIUBFSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "Ephrin type-B receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4739678"], "id": "UniProtKB:P54754", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ephrin type-A receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL2034794"], "id": "UniProtKB:P29319", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ephrin type-A receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL1293259"], "id": "UniProtKB:Q03137", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ephrin type-A receptor 5", "xref": ["CHEMBL.TARGET:CHEMBL4739679"], "id": "UniProtKB:P54757", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Ephrin type-A receptor 6", "xref": ["CHEMBL.TARGET:CHEMBL4739690"], "id": "UniProtKB:Q62413", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ephrin type-A receptor 8", "xref": ["CHEMBL.TARGET:CHEMBL4739670"], "id": "UniProtKB:O09127", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ephrin type-B receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5961"], "id": "UniProtKB:P54763", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKRGGZCTKMFQJ-UHFFFAOYSA-N", "SMILES:COc1ccc2ncnc(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFLBHRXUVVLSSD-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCc1ncnc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLBCRXEQRDDQS-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCCc1ncnc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOHROJGEMWWGK-UHFFFAOYSA-N", "SMILES:COc1ccc2ncnc(CCNC(=O)C3CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVHQCHVWVWJQJ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccccc3)nc(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEPYGYMEOKIHIQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(CCNC(C)=O)c3cc(OC)ccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBBXEJIBJWTYKK-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C3CC3)nc(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEVHDUNLNSSKET-UHFFFAOYSA-N", "SMILES:COc1ccc2cnnc(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BROGTHILAVJTAU-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCc1nncc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDUOETVAFAVAR-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCCc1nncc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWBNGMESBOMNB-UHFFFAOYSA-N", "SMILES:COc1ccc2cnnc(CCNC(=O)C3CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLSPBGAIGNIIOF-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CCN(c2ncnc3ccc(OC)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWFUOYORCSFGJ-UHFFFAOYSA-N", "SMILES:COc1ccc2ncnc(N3CCN(C(=O)C4CC4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUFUTFIOVMXBAB-UHFFFAOYSA-N", "SMILES:Br.c1ccc2c(-c3nn4cc(-c5ccsc5)nc4s3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHQWVPYEEUVHGC-UHFFFAOYSA-N", "SMILES:Br.Cn1cc(-c2nn3cc(-c4ccsc4)nc3s2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHACRKFNTGQAKH-UHFFFAOYSA-N", "SMILES:CC(C)NCC(C(=O)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLEMFKPMFYVXDZ-UHFFFAOYSA-N", "SMILES:O=C(C(CNC1CCCCC1)c1ccc(Cl)cc1)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMQOKBFZDOCGE-UHFFFAOYSA-N", "SMILES:O=C(C(CNC1CCCC1)c1ccc(Cl)cc1)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMHJRJCGCHWLJ-UHFFFAOYSA-N", "SMILES:CCCCNCC(C(=O)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRTKLJHYHAVNCM-UHFFFAOYSA-N", "SMILES:CCNCC(C(=O)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBSJSCTHFPEJX-UHFFFAOYSA-N", "SMILES:CC(C)NCC(C(=O)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZODQFELROXIJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CNC(C)C)C(=O)N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSQBOHHXBEQCS-UHFFFAOYSA-N", "SMILES:CC(C)NCC(C(=O)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVKMXGBUKTUTP-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(C(=O)NO)cc4)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWHOXINBNOJDGW-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCC(=O)NO)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGGKCSBKPXZNI-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCC(=O)NO)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQJICAHHMDZSIJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCC(=O)NO)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMNFQPNPGQJGOD-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCC(=O)NO)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMEMHQMUBAMSGT-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCC(=O)NO)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRMNOBUBADDTJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCCC(=O)NO)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBNSYDADLFRPNT-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCCCC(=O)NO)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFHGIFRDCPUONW-GQCTYLIASA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccc(/C=C/C(=O)NO)cc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZXXWNOXDLYSFF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(-c3ccccc3O)n(-c3ccc(S(N)(=O)=O)cc3)n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKLZGWQBNXJWGZ-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRMBJLFSZXVHD-UHFFFAOYSA-N", "SMILES:c1ccc(CCCN2CCCc3ccccc3CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAWIQXZTFKJSQG-UHFFFAOYSA-N", "SMILES:c1ccc(CCCCN2CCCc3ccccc3CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWDQASDVQVZTG-UHFFFAOYSA-N", "SMILES:c1ccc(CNC2CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHFCBMUSCBBMJR-UHFFFAOYSA-N", "SMILES:c1ccc(CCNC2CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEMUKLXXZBFFNQ-UHFFFAOYSA-N", "SMILES:c1ccc(CCCNC2CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUPBHPRONPKLPN-UHFFFAOYSA-N", "SMILES:c1ccc(CCCCNC2CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHLMJNGQFKMCF-UHFFFAOYSA-N", "SMILES:c1ccc(C2CCN(C3CCc4ccccc4C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXPONVZYRUQFR-UHFFFAOYSA-N", "SMILES:c1ccc(CC2CCN(C3CCc4ccccc4C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFGIPEJWTFQWTG-UHFFFAOYSA-N", "SMILES:c1ccc(CCNC2Cc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOMLTLQWBDVRA-UHFFFAOYSA-N", "SMILES:c1ccc(CCCNC2Cc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIDDVCGMGMHLJ-UHFFFAOYSA-N", "SMILES:c1ccc(CCCCNC2Cc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDVFYICXDIDQB-UHFFFAOYSA-N", "SMILES:c1ccc(C2CCN(C3Cc4ccccc4C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYTGAJIAOUJEBF-UHFFFAOYSA-N", "SMILES:c1ccc(CC2CCN(C3Cc4ccccc4C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL305187", "category": ["biolink:ChemicalEntity"], "name": "IFENPRODIL", "xref": ["InChIKey:UYNVMODNBIQBMV-UHFFFAOYSA-N", "SMILES:CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1"], "synonym": ["Ifenprodil", "Ifenprodil", "Ifenprodil", "NP-120", "RC 61-91", "RC-61-91"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL28564", "category": ["biolink:ChemicalEntity"], "name": "ELIPRODIL", "xref": ["InChIKey:GGUSQTSTQSHJAH-UHFFFAOYSA-N", "SMILES:OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1"], "synonym": ["Eliprodil", "Eliprodil"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMCOBLCEJSXBNG-SFHVURJKSA-N", "SMILES:O=c1c2c(Cl)cccc2nc([C@@H]2CC3(CC3)CN2c2ncnc3[nH]cnc23)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQCFSACIVEXND-SFHVURJKSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJFMKGGTCMJKN-WUKNDPDISA-N", "SMILES:Cc1ccc(C(=O)/C=C/C(=O)OCCN(C)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQTVFFHTFZUWRM-FOCLMDBBSA-N", "SMILES:Cc1cccc(C(C(=O)NC2CCCCC2)N(C)CCOC(=O)/C=C/C(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNSSLGTRPIRCK-VAWYXSNFSA-N", "SMILES:CN(CCOC(=O)/C=C/C(=O)c1ccc(F)cc1)C(C(=O)NC(C)(C)C)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPYOSHFKFXBBIV-BUHFOSPRSA-N", "SMILES:CN(CCOC(=O)/C=C/C(=O)c1ccc(F)cc1)C(C(=O)NC(C)(C)C)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISQIHGOFCXLDAB-CCEZHUSRSA-N", "SMILES:CCN(CCOC(=O)/C=C/C(=O)c1ccc(F)cc1)C(C(=O)NC(C)(C)C)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAOVMOLAQUMBGX-BUHFOSPRSA-N", "SMILES:Cc1cccc(C(C(=O)NC(C)(C)C)N(C)CCOC(=O)/C=C/C(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLCIQRNFUEDHY-CCEZHUSRSA-N", "SMILES:Cc1ccc(C(C(=O)NC(C)(C)C)N(C)CCOC(=O)/C=C/C(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWAOMERKQXGSJH-HSZRJFAPSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUMCIHKVKQYNPA-RUZDIDTESA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQCCDKOFONLPFF-RUZDIDTESA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMBEXXWWXTOCD-RUZDIDTESA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCPQQOBOYKBWPO-RUZDIDTESA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHMVFGZTRVZQFI-RUZDIDTESA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOJFEPZEVKWPV-MUUNZHRXSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLPHJIQJRDKKX-HHHXNRCGSA-N", "SMILES:CCOc1ccc(CN2c3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4OC)ncc3-n3c(C)nnc3[C@H]2CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGBRMNPYWOVJQQ-RUZDIDTESA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYEWDYMBVPPZDJ-RUZDIDTESA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGBSWRVNVBEIM-RUZDIDTESA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPMTAZCAWDMDG-XMMPIXPASA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVMCRBPTCKGCAX-HSZRJFAPSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNVPHVSVVHLLKD-HSZRJFAPSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRVZZHQYKGFUEH-HSZRJFAPSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGMKHTYQVNYFV-HSZRJFAPSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOZJRQDITIJPCH-LJQANCHMSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccccc3OC)nc2N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIPRAPZEMYEBH-LJQANCHMSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccccc3OC)nc2N1Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGNHIECBXXHFPK-JOCHJYFZSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYUSWNWUSZFQJV-XMMPIXPASA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INBHXNZJARFRRF-XMMPIXPASA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3OC)nc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRVAEEMWIWELKQ-XMMPIXPASA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3OC)nc2N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUQCUPONKHCDCN-XMMPIXPASA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQPXDRNKYSMQQD-XMMPIXPASA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCKIPHSCDLNDDW-XMMPIXPASA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXMKEHIZGVZKY-HHHXNRCGSA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLBKSBPFWEPMG-AREMUKBSSA-N", "SMILES:CCOc1ccc(CN2c3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4OC)ncc3-n3cnnc3[C@H]2CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUFJHRAUCYZNR-XMMPIXPASA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccc(OC)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFPOCFWAOVVNBY-XMMPIXPASA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMMHPFJCKVOQE-XMMPIXPASA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWCWWXFUDMWQL-JOCHJYFZSA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZECJTRTXIDCQE-JOCHJYFZSA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAXLVTMCZJASSF-JOCHJYFZSA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHAWZXKTPNATHF-JOCHJYFZSA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AINOPURVZRXYJI-HSZRJFAPSA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MERYXOYVDBUNKA-RUZDIDTESA-N", "SMILES:CCOc1ccc(CN2c3nc(Nc4ccc(C(=O)NN5CCN(C)CC5)cc4OC)ncc3-n3cnnc3[C@H]2CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWEYXSHVNVPHJL-MRXNPFEDSA-N", "SMILES:CC[C@@H]1c2nncn2-c2cnc(Nc3ccccc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJXLIIMXHRJJH-BBMUJXPWSA-N", "SMILES:CO[C@]12CCC3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4758814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMRJXGBAOAMLHD-XBLLZRLESA-N", "SMILES:CO[C@]12CCC3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4758369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGKVSNGVCSJFTE-LEBBCELKSA-N", "SMILES:CO[C@]12C=CC3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@@H]2O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4752367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URIIOJFHFRUBEG-LEBBCELKSA-N", "SMILES:CO[C@]12CCC3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@@H]2O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWJKXFDGHXWPRU-OQBFNFRGSA-N", "SMILES:CC(C)(O)[C@H]1CC23CC[C@]1(O)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQDTNRTSUTFFF-QGAFQXIXSA-N", "SMILES:CC(C)(C)[C@](C)(O)[C@H]1CC23CC[C@]1(O)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBKSVRDSTJRCDJ-OSHQJYHLSA-N", "SMILES:CCC[C@](C)(O)[C@H]1CC23C=C[C@]1(O)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@@H]3C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUYFNPUUBHMZLA-RZHHNXQOSA-N", "SMILES:CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@@]2(O)C=CC3(C[C@@H]2[C@@](C)(O)CCc2ccccc2)[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIFRACTBXWXGY-QOCATQFPSA-N", "SMILES:COc1ccc2c3c1O[C@@H]1[C@@]4(OC)C=CC5(C[C@@H]4[C@@](C)(O)CCc4ccccc4)[C@@H](C2)N(C)CC[C@@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWVXXKJRGWLBZ-IANNZWDESA-N", "SMILES:COc1ccc2c3c1O[C@@H]1[C@@]4(O)C=CC5(C[C@@H]4[C@@](C)(O)CCc4ccccc4)[C@@H](C2)N(C)CC[C@@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXENAPWINWDWPB-ISCYJZRZSA-N", "SMILES:CCO[C@]12C=CC3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(OC)c5c4[C@]3(CCN1C)[C@@H]2O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOHQOHHYOAWOS-ZANKGHLHSA-N", "SMILES:CCC[C@](C)(O)[C@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(OC)ccc5c4[C@]12CCN(C)[C@@H]3C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAHCBJPUTCKATP-AXAGGYKYSA-N", "SMILES:CCC[C@](C)(O)[C@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@@H]3C5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHJIDHRSXTJER-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccnc(Nc3cnn(CCOC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXJWKEBWYYWGQW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVUYTUHMNSOTK-NSCUHMNNSA-N", "SMILES:C/C=C/C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJUUZWPWFHSFM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2cc(Nc3cnn(C)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCVABXBMSCWDM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2cc(Nc3cnn(CCOC)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNKDTMANILGIV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSNCUVWPURSWAW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2cc(Nc3cnn(CCN(C)C)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEWMSBRCTLVBIF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2cc(Nc3cnn(CC(=O)NC)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCSRMXDDIRDZEP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2cc(Nc3cnn(CCO)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOFECHJKDFFLD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2ccnc(Nc3cnn(CCOC)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJXMTLFSZGTMP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKOIQROLYNKGI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2cc(Nc3cnn(CCOC)c3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLPWJVKIULAIP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRFJUFJOWCJMW-HWKANZROSA-N", "SMILES:C/C=C/C(=O)Nc1cccc(-c2cc(Nc3cnn(C)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITBTULMDCPZHG-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2cc(-c3cccc(NC(=O)CC#N)c3)ncn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRDBOKZCEYIMRM-HWKANZROSA-N", "SMILES:C/C=C/C(=O)Nc1cccc(-c2cc(Nc3cnn(CCOC)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTLSOHVNNDMFQ-UHFFFAOYSA-N", "SMILES:COCCn1cc(Nc2cc(-c3cccc(NC(=O)CC#N)c3)ncn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRGAZGLGTUNMDL-DUXPYHPUSA-N", "SMILES:C/C=C/C(=O)Nc1cccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJAGUIOCVBDKSM-UHFFFAOYSA-N", "SMILES:N#CCC(=O)Nc1cccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYKWDYSMIWDLT-GQCTYLIASA-N", "SMILES:C/C=C/C(=O)Nc1cccc(-c2cc(Nc3cnn(CCN(C)C)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZNVHOJQHOYKX-HWKANZROSA-N", "SMILES:C/C=C/C(=O)Nc1cccc(-c2cc(Nc3cnn(CC(=O)NC)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GELODAVSSQEIEG-DUXPYHPUSA-N", "SMILES:C/C=C/C(=O)Nc1cccc(-c2cc(Nc3cnn(CCO)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVSVRONQWAYMCS-UHFFFAOYSA-N", "SMILES:N#CCC(=O)Nc1cccc(-c2cc(Nc3cnn(CCO)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWDIXOVJWDFDR-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2cc(-c3cccc(NC(=O)CNC(=O)CC#N)c3)ncn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUENNZLMRJPBKP-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)Nc1cccc(-c2cc(Nc3cnn(CCOC)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCXNEIBWBBWHNP-HWKANZROSA-N", "SMILES:C/C=C/C(=O)NCC(=O)Nc1cccc(-c2cc(Nc3cnn(CCOC)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTVNVZCVRRDGIR-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)Nc1cccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYAYMGYSQNFIY-DUXPYHPUSA-N", "SMILES:C/C=C/C(=O)NCC(=O)Nc1cccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKMQFSLZGYLGU-UHFFFAOYSA-N", "SMILES:N#CCC(=O)NCC(=O)Nc1cccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRMZQLBGMOYYOR-UHFFFAOYSA-N", "SMILES:CNC(=O)Cn1cc(Nc2cc(-c3cccc(NC(=O)CNC(=O)CC#N)c3)ncn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUAXUAZRNPUMBD-DUXPYHPUSA-N", "SMILES:C/C=C/C(=O)Nc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGDRZTODQLVQGL-UHFFFAOYSA-N", "SMILES:N#CCC(=O)Nc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDRQAZOXJOIAF-ONEGZZNKSA-N", "SMILES:C/C=C/C(=O)Nc1ccc(-c2cc(Nc3cnn(CCOC)c3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IREABZYCZNLCRU-UHFFFAOYSA-N", "SMILES:COCCn1cc(Nc2cc(-c3ccc(NC(=O)CC#N)cc3)ncn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISGHGKARQYJBTN-NSCUHMNNSA-N", "SMILES:C/C=C/C(=O)Nc1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFYSCWYWLWXYOZ-UHFFFAOYSA-N", "SMILES:N#CCC(=O)Nc1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUIIOUZDVEQII-ONEGZZNKSA-N", "SMILES:C/C=C/C(=O)Nc1ccc(-c2ccnc(Nc3cnn(CCOC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNRNIJKBFRWSU-UHFFFAOYSA-N", "SMILES:COCCn1cc(Nc2nccc(-c3ccc(NC(=O)CC#N)cc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFPTXMLFYMYJSO-UHFFFAOYSA-N", "SMILES:N#CCC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNQPYNEIBMPBA-ZFDZMSFRSA-N", "SMILES:CC[C@H]1CN(C(=O)NCC(F)(F)F)C[C@H]1C1C=NC2=CN=C3NC=CC3N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDNRJDHYPWDHC-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGGBVNCVONHHC-RVDMUPIBSA-N", "SMILES:COc1ccc(/C(C#N)=C/c2ccc(N3CCC(O)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCAGRIEHSHDTM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(-c3ccc(CN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSBUXPZPYVRTL-UHFFFAOYSA-N", "SMILES:COCCOCCOCCOc1cc2c(cc1OC)CCN(Cc1ccc(-n3cc(-c4ccc(C(=O)OC)c(NC(=O)c5ccc6ccccc6n5)c4)nn3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFFZECZGHUCQAD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5ccccc5C4)cc3)nn2)cc1NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJQTHFUFBMEDE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIWXHIKHFPNMCO-UHFFFAOYSA-N", "SMILES:COCCOCCOCCOc1cc2c(cc1OC)CCN(CCc1ccc(-n3cc(-c4ccc(C(=O)OC)c(NC(=O)c5ccc6ccccc6n5)c4)nn3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKLQXVIVRAEHZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(-c4ccc(C(C)=O)c(NC(=O)c5ccc6ccccc6n5)c4)nn3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTJIUOOFLJRAY-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDPDHTUSFHKGC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(-c4ccc(C(=O)C(C)C)c(NC(=O)c5ccc6ccccc6n5)c4)nn3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHAZSVOPUAINSR-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OCCOCCOCCOC)cc5C4)cc3)nn2)cc1NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZFPTXVCUYVBAT-KRWDZBQOSA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccc(F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZFPTXVCUYVBAT-QGZVFWFLSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccc(F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHDHOZYKTMAVEE-KRWDZBQOSA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccc(Cl)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHDHOZYKTMAVEE-QGZVFWFLSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccc(Cl)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEEFMGUIOXQXAL-KRWDZBQOSA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEEFMGUIOXQXAL-QGZVFWFLSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVSHSVLEVBQER-INIZCTEOSA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVSHSVLEVBQER-MRXNPFEDSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTQWEHAVYFMHP-KRWDZBQOSA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTQWEHAVYFMHP-QGZVFWFLSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDQPNSXCMMZSS-SFHVURJKSA-N", "SMILES:Cn1ccc2cc(S(=O)(=O)N[C@H]3CCN(CCCc4noc5ccccc45)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDQPNSXCMMZSS-GOSISDBHSA-N", "SMILES:Cn1ccc2cc(S(=O)(=O)N[C@@H]3CCN(CCCc4noc5ccccc45)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDXPMJJNBGHREI-KRWDZBQOSA-N", "SMILES:Cn1ccc2c(S(=O)(=O)N[C@H]3CCN(CCCc4noc5ccccc45)C3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDXPMJJNBGHREI-QGZVFWFLSA-N", "SMILES:Cn1ccc2c(S(=O)(=O)N[C@@H]3CCN(CCCc4noc5ccccc45)C3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUGHLFHSMAECME-FQEVSTJZSA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2cc(Cl)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUGHLFHSMAECME-HXUWFJFHSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2cc(Cl)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZCCZRTVHTBPK-FQEVSTJZSA-N", "SMILES:COc1ccc2cc(S(=O)(=O)N[C@H]3CCN(CCCc4noc5ccccc45)C3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZCCZRTVHTBPK-HXUWFJFHSA-N", "SMILES:COc1ccc2cc(S(=O)(=O)N[C@@H]3CCN(CCCc4noc5ccccc45)C3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVGRVIBOJVENZ-FQEVSTJZSA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVGRVIBOJVENZ-HXUWFJFHSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHAZBKUVIJPMC-IBGZPJMESA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCZEOUXHSFHJT-AWEZNQCLSA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHAZBKUVIJPMC-LJQANCHMSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITUXAHIEYLTLOX-KRWDZBQOSA-N", "SMILES:Cc1c(S(=O)(=O)N[C@H]2CCN(CCCc3noc4ccccc34)C2)sc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITUXAHIEYLTLOX-QGZVFWFLSA-N", "SMILES:Cc1c(S(=O)(=O)N[C@@H]2CCN(CCCc3noc4ccccc34)C2)sc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWFPNBJDFSYGW-KRWDZBQOSA-N", "SMILES:Cc1c(S(=O)(=O)N[C@H]2CCN(CCCc3noc4ccccc34)C2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWFPNBJDFSYGW-QGZVFWFLSA-N", "SMILES:Cc1c(S(=O)(=O)N[C@@H]2CCN(CCCc3noc4ccccc34)C2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFVGFMQWYTGRI-SFHVURJKSA-N", "SMILES:Cc1ccc2sc(S(=O)(=O)N[C@H]3CCN(CCCc4noc5ccccc45)C3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFVGFMQWYTGRI-GOSISDBHSA-N", "SMILES:Cc1ccc2sc(S(=O)(=O)N[C@@H]3CCN(CCCc4noc5ccccc45)C3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYIAXPMUWTBLV-KRWDZBQOSA-N", "SMILES:Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCc3noc4ccccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYIAXPMUWTBLV-QGZVFWFLSA-N", "SMILES:Cc1cccc(S(=O)(=O)N[C@@H]2CCN(CCCc3noc4ccccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4775997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCZEOUXHSFHJT-CQSZACIVSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIRROHSGQGQXTD-INIZCTEOSA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVPWRHUUQUMMJK-INIZCTEOSA-N", "SMILES:O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIRROHSGQGQXTD-MRXNPFEDSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVPWRHUUQUMMJK-MRXNPFEDSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76897", "category": ["biolink:ChemicalEntity"], "name": "4-DAMP", "xref": ["InChIKey:WWJHRSCUAQPFQO-UHFFFAOYSA-M", "SMILES:C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2111101", "category": ["biolink:ChemicalEntity"], "name": "PIMAVANSERIN", "xref": ["InChIKey:RKEWSXXUOLRFBX-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1"], "synonym": ["Pimavanserin", "Pimavanserin", "Pimavanserine", "Pimavanserina", "Pimavanserin", "Pimavanserin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL297784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJQORSLQNXDVGE-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL536480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQBNWMFBOSOOLX-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZTIBENBOYDOHT-UHFFFAOYSA-N", "SMILES:COc1cc(NC2(c3cccc(Cl)c3)C(=O)N(C(C)(C)C)C(=O)C2=Cc2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMUZSNFIQPLTQ-UHFFFAOYSA-N", "SMILES:OCCN(CCO)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWVIMUKLUCBMSU-NJDAHSKKSA-N", "SMILES:O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cccc(Cl)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTOCNQYPFWRTNZ-LHOADCHPSA-N", "SMILES:C=C[C@@]1(C)CC(=O)[C@]2(O)C3[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCRGPQMKSJGAF-YPAWHYETSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTOAYRCQROIULD-WXFUMESZSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVOAMVPAQDURDT-DNVJHFABSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4F)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSCFYEKFCHLNCM-WXFUMESZSA-N", "SMILES:COc1cc(C)ccc1N1C(=O)[C@H]2[C@@H](c3cccc(C)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQUUWHSWDJLMMK-WXFUMESZSA-N", "SMILES:CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNVNKWBDLWRIBB-WXFUMESZSA-N", "SMILES:CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZJCQPLINEEBE-DNVJHFABSA-N", "SMILES:CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFBPOCDYLARAW-DNVJHFABSA-N", "SMILES:CCc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNACIENFPFBHIE-NJDAHSKKSA-N", "SMILES:O=C1[C@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCISHBRGIHSAAJ-NJDAHSKKSA-N", "SMILES:O=C1[C@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJIYRXZFRCGGNL-DNVJHFABSA-N", "SMILES:Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZYWYUIXWDWFIH-YPAWHYETSA-N", "SMILES:Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYVGHICJASGJY-WXFUMESZSA-N", "SMILES:CCOc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMGLTAPFJAQPJ-DNVJHFABSA-N", "SMILES:COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYPNAULFRNVQU-FGTMMUONSA-N", "SMILES:CCC[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCPPFDOSLDLBF-BRWVUGGUSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJCXVJRIHQRRJC-GUDVDZBRSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKHHMHFPPPYBQ-GUDVDZBRSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CC4)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFAYGIRZCZVDC-NJDAHSKKSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAWUILLUYUZGG-YPAWHYETSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTMLWRPSOEXBZ-YDKWCDMBSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccc(C)cc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVCLMGZGIMRDRV-LPOKKUQKSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccc(Br)cc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVTRZPUEHVPEIL-LPOKKUQKSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccc(Cl)cc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGEGTHWOMNOCKS-LPOKKUQKSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccc(F)cc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMTIXKUFZJQJET-YDKWCDMBSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4cccc(C)c4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIWGJTYYVZAHQ-LPOKKUQKSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4cccc(Br)c4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJKUKRNDZCQLL-LPOKKUQKSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4cccc(Cl)c4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNHNRNBGNGFGJG-LPOKKUQKSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4cccc(F)c4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNPTVIUVCTLMU-NJDAHSKKSA-N", "SMILES:O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4799136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYSZZKRXXEOFV-YPAWHYETSA-N", "SMILES:Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXSMTYVHUOXHF-WXFUMESZSA-N", "SMILES:COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMLULVIXRRRYMS-DNVJHFABSA-N", "SMILES:CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGLBNMFWIPUNJF-YPAWHYETSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IREXGFJFEDOICB-YPAWHYETSA-N", "SMILES:Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOSKOAPDTTZQEB-YPAWHYETSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXPYUDGSSNCDX-DNVJHFABSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCCKDZFDMXUZSR-DNVJHFABSA-N", "SMILES:COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASIWZTUQSVPCFO-WXFUMESZSA-N", "SMILES:CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCQMQJPRGFTLU-DNVJHFABSA-N", "SMILES:COc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBPCKNPUQQHND-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(Cc2ccc(Cl)cc2Cl)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCUYOEKSCGUNQG-YPAWHYETSA-N", "SMILES:Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAAFRFJZCFPWJM-VAMGGRTRSA-N", "SMILES:Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(CC(C)C)C(=O)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIEXQPWNHABGNE-NJDAHSKKSA-N", "SMILES:O=C1[C@H]2[C@@H](C3CCCCC3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLURWROKBHHTF-HGJUPAOVSA-N", "SMILES:CC/C=C(\\CCC)[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPHMGASMXBCKNX-CEXWTWQISA-N", "SMILES:CC(C)=C[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXRHUVGYYYWIX-DNVJHFABSA-N", "SMILES:Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJHPOGIVRFQDM-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2cc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBNBAHXPCGJCG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2cc1OCC(C)(C)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCAVINCFLAMRMW-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2cc1OCC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIFMJWBJIGJFQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2cc1OCC(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCNYVBJDHLVEU-UHFFFAOYSA-N", "SMILES:COCCOc1cc2nccc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPEOCIJYEWSYNX-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2cc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGKYNSMCEBZCME-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2cc1OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRINRCTDNIRFQ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDRAXRXBNIWDMA-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTSBGPACARJCG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIBPWCQMMOUGNK-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZMVQKGOLHJDTC-UHFFFAOYSA-N", "SMILES:COCCOc1cc2nccc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccccc6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPDFRGHANCKMA-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccccc6)c(=O)c45)cc3F)ccnc2cc1OCC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKSTXWRRJVEEF-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccccc6)c(=O)c45)cc3F)ccnc2cc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJHZCKGWMNUGG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccccc6)c(=O)c45)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQJQUDKJOSHHN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccccc6)c(=O)c45)cc3F)ccnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOVUEVLYPWSPH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSZDQXYTNDPZOB-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVZNUZJUSVSNX-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(F)cc2)c[nH]c2ccnc(Nc3ccc(Oc4ccnc5cc(OCCO)ccc45)c(F)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPOXFANKLWQCI-UHFFFAOYSA-N", "SMILES:COCCOc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRQPHMRUZIVFA-UHFFFAOYSA-N", "SMILES:CC(O)COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMDAZMLLHNPND-UHFFFAOYSA-N", "SMILES:CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYSAYLSRRFXTSX-UHFFFAOYSA-N", "SMILES:COC(C)(C)COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXMWKNCZFZTBG-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(F)cc2)c[nH]c2ccnc(Nc3ccc(Oc4ccnc5cc(OCCN6CCOCC6)ccc45)c(F)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMOQKHRDFGZBC-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(F)cc2)c[nH]c2ccnc(Nc3ccc(Oc4ccnc5cc(O)ccc45)c(F)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGRCFAYRKDYEMX-UHFFFAOYSA-N", "SMILES:CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccccc6)c(=O)c45)cc3F)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSAKMBVVYUGDI-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)c[nH]c2ccnc(Nc3ccc(Oc4ccnc5cc(OCCCN6CCOCC6)ccc45)c(F)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONQOQYCVKOVKKP-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccnc(Nc3ccc(Oc4ccnc5cc(OCC(C)(C)O)ccc45)c(F)c3)c2c(=O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUTFFTIAYAJRGC-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C1Nc2ccc3ccccc3c2C2C=CCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQVUPVVWXKBKRE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1Nc2ccc3ccccc3c2C2C=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQSTBRRGMJSAA-UHFFFAOYSA-N", "SMILES:Brc1ccc(C2Nc3ccc4ccccc4c3C3C=CCC32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIPFKKBJMBCJJ-UHFFFAOYSA-N", "SMILES:Fc1ccccc1C1Nc2ccc3ccccc3c2C2C=CCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKVXEQUUZSTQOW-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2Nc3ccc4ccccc4c3C3C=CCC32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIULRKNUZXZJH-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2Nc3ccc4ccccc4c3C3OCCCC23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMZFFNHHKVSNRM-UHFFFAOYSA-N", "SMILES:c1ccc(C2Nc3ccc4ccccc4c3C3C4CCC(C4)C23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHWHMBSPFMPPM-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2Nc3ccc4ccccc4c3C3C4CCC(C4)C23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJSMSOSBMMZSSB-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccccc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPGXOXUNYLCQO-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJZVEOQSYSYUQK-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZIKTHJWMABJG-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLINTFVBYONLR-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPWPNIGYMQUVQI-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIRAYNBDNXVLEY-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCRQRNQICZGRPQ-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJMSGYUFCDFLH-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPLCUWXXZAXSX-UHFFFAOYSA-N", "SMILES:CC(C)NS(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVVXPZELDBCKZ-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccc(S(=O)(=O)N3C4CCC3CC(=O)C4)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNBMCIUDQMLKW-KWCCSABGSA-N", "SMILES:CN1CC(c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNBMCIUDQMLKW-LSLKUGRBSA-N", "SMILES:CN1CC(c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)O)C3)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVDGABGQNSYOAE-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccc(S(=O)(=O)NCCCn3ccnc3)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTTCGJYZRIYCPD-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJXELUHHSEAGG-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccccc2Br)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPVAJBVLOEZEX-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccc(Br)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWFGPVINPDVBS-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccccc2-c2ccccc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIBHJUUNDYCAO-UHFFFAOYSA-N", "SMILES:CN1CC(c2ccc(-c3ccccc3)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKQXVHIAKJDOS-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(C2CC(=O)N(C)C2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQKRIKRGNKVIZ-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(C2CC(=O)N(C)C2)c(CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HURNKUNXXLZZJM-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(C2CC(=O)N(C)C2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZIIMJAHPTORL-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(C2CC(=O)N(C)C2)c(-c2ccc(N(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZOWHOAXNNGART-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(C2CC(=O)N(C)C2)c(-c2ccc(OC)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQGISMKBYZQMT-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(C2CC(=O)N(C)C2)c(-c2csc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJSMSOSBMMZSSB-JTQLQIEISA-N", "SMILES:CN1C[C@@H](c2ccccc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJSMSOSBMMZSSB-SNVBAGLBSA-N", "SMILES:CN1C[C@H](c2ccccc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZOWHOAXNNGART-KRWDZBQOSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc([C@H]2CC(=O)N(C)C2)c(-c2ccc(OC)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZOWHOAXNNGART-QGZVFWFLSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc([C@@H]2CC(=O)N(C)C2)c(-c2ccc(OC)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITMVKQBDIREKN-UHFFFAOYSA-N", "SMILES:ClCCN(CCCl)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLZGCKBBUBACR-UHFFFAOYSA-N", "SMILES:ClCCNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCPJGWAFQUJLF-UHFFFAOYSA-N", "SMILES:CN(CCCl)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZDIKWKGTBGAOI-KCHLEUMXSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNXXOGVFRQRIOH-CHQNGUEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUCKSQJOKUSMR-QKDODKLFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRYMNFCPFOICR-CHQNGUEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(CO)cc1)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDPQIPRGIMBNLE-KCHLEUMXSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQRCLEJSVKSIGI-KCHLEUMXSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)c2cnccn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKABTUPYMKCNB-CPCREDONSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDZNEDUWIAQXIW-CHQNGUEUSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2OC)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDARKJYRODJZSD-DTXPUJKBSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2[N+](=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWJEPNVOOVNAF-CHQNGUEUSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Br)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCXNMKZVYMBND-GSDHBNRESA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHFCQALDDJXFZ-CHQNGUEUSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBQGKNMZPKPJB-CPCREDONSA-N", "SMILES:COc1ccc(C[C@H](NS(=O)(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKLNBWLQWLVJI-JBACZVJFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKHODWXMYXHNFP-TUSQITKMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRECURVJZBDTCU-NYVOZVTQSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXUHDJPRJSDQTO-FKBYEOEOSA-N", "SMILES:COC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFCDOPMBYGFJA-GSDHBNRESA-N", "SMILES:COC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDMKJHXTLYISA-VABKMULXSA-N", "SMILES:COC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNJDEZPHWHFKY-PMVMPFDFSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNKYUQDWVFZBK-XWGVYQGASA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCCC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOZNBDMHMHWAL-PMVMPFDFSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRRHMJFNPOAJHK-HJOGWXRNSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTMKODQGPXZTDL-SDHOMARFSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NCCC(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLQZDBMGKHLBTH-HJOGWXRNSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NCC(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBRVPWKRQKYOQ-HJOGWXRNSA-N", "SMILES:CC(C)C[C@@H](CN[C@H](C=O)CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBMKDKKYIMJTPS-ZDUSSCGKSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCC(C)C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYCPLKOVNZFNAS-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSJDYSVPIFWJMO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGGDIHCMNIOYJN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(Nc2c3ccccc3nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXJKKUKSKUSPD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Nc2c3ccccc3nc3ccc(F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PESSDQDERPAVNH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWYXNGVQEJZWQA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Nc2c3ccccc3nc3ccc(OC(F)(F)F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZZSSBITISGGT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Nc2c3ccccc3nc3ccc(OCc4ccccc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXYDUXPNMOBQTR-UHFFFAOYSA-N", "SMILES:COc1cc2nc3ccccc3c(Nc3ccc(C(=O)NO)cc3)c2c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHSWYLCHQWPQD-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRQRFXAGXWHWTJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Nc2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZOYPJGGAMPDBF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Nc2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVHSUNOYDSGFQR-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAECRLSZIBIPCZ-UHFFFAOYSA-N", "SMILES:CC(C)N(CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNELNHFYYBBNFR-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(C(=O)NCCN3CCOCC3)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYWGSHGOMGIFHO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C(=O)NCCN3CCOCC3)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKUESGCUSOYAZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDWKMSZHRGTGN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWZZTEQZYUEHEE-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTWOHLHTNDZLHZ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVSLRJQDFXTIZ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTGPYIYICOLJN-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXKRMSKXLDZGY-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRMIADUZPCFLJK-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1c[nH]nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRXCTDAUCRINH-UHFFFAOYSA-N", "SMILES:CC(C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJEWEWGANFCCLU-UHFFFAOYSA-N", "SMILES:O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(CCN2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFHREZKIVGRXQF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C(=O)N3CCN(CCN4CCCC4)CC3)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWKVJCXRUFDMH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CCN(CCN3CCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTTXTJVEZUDKM-UHFFFAOYSA-N", "SMILES:COC(=O)CCNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNUDYAOUCQXNAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDBXWBQXBDVGRJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C(=O)NCC(C)(C)N3CCOCC3)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTOBDOLLYDMPSN-UHFFFAOYSA-N", "SMILES:CC(C)(CNC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJPPOTJAQZGVIA-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(C(=O)NCC(C)(C)N3CCOCC3)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNJUFCYERXBKPA-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(C(=O)NCC(C)(C)N2CCOCC2)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIDGYDCTHGYTDZ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1cncc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAPVTKIEGUPRN-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWNHOKUAZWYJNL-VMNBGAQHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHLFSARIPYRCHE-BBACVFHCSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTNSNAVYCNGLT-QORCZRPOSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCBFFULMXDMKEY-SGLJRUTOSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOVCVYVZTXOZBG-DZUOILHNSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEADBFIOYBQMC-HRXNDFPASA-N", "SMILES:CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPDDJTZKHSPRCZ-BBACVFHCSA-N", "SMILES:CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPUZOHCVYCHGA-BBACVFHCSA-N", "SMILES:CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZKVCDJBZFRCF-KTVNKKSOSA-N", "SMILES:CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBSNIVIJYZXFLM-UCPYUZBCSA-N", "SMILES:CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUULSILYLAVWER-PMKJXMQSSA-N", "SMILES:CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(C)=O)[C@@H](C)CC)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNNOCYWQRABNG-SDHOMARFSA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWXHRRRWYGVQV-QOPKUUORSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CCC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URIGWWCTLNBWKZ-YDPTYEFTSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICXUGNHNXZTZKP-SDHOMARFSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPYCOBUGIVWEDU-QFIPXVFZSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOPQVQAHOPHQS-XIFFEERXSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMOBLPJNBBMCR-QFIPXVFZSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCNC(=O)CCC(=O)O)NC(=O)OCc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL195515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCVIEONTACSLJA-YGCRUXFTSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1"], "synonym": ["GW7604"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXUZVZSFRXZGTL-OCEACIFDSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4794674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSBAXVVAPODNV-WDYVLNGVSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(/C(=C(\\CC)c3ccccc3)c3ccc(O)cc3)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVJOTXMWWJWNEM-MHGMLNGZSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCN)cc1)c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTJCNTBQDKLXEA-XYHIKERESA-N", "SMILES:O=C(/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1)NCCCCCNC(=O)/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGLUAHYMBWJRS-JZCPEALWSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCCNC(=O)/C=C/c2ccc(/C(=C(\\CC)c3ccccc3)c3ccc(O)cc3)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUSAXNKMKUFHQL-LTTYKRRRSA-N", "SMILES:O=C(/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1)NCCCCNC(=O)/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIMBMCWWMCJLRR-XDEFTROLSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCNC(=O)/C=C/c2ccc(/C(=C(\\CC)c3ccccc3)c3ccc(O)cc3)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMFKJHOSIFDLKJ-RVSCTIAXSA-N", "SMILES:O=C(/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1)NCCCNC(=O)/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPTPWWMCXPPHMS-WRUYHXIOSA-N", "SMILES:CC/C(=C(/c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCNC(=O)/C=C/c2ccc(/C(=C(\\CC)c3ccccc3)c3ccc(O)cc3)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIBKQTSPACQQBN-CMNXJCJSSA-N", "SMILES:O=C(/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1)NCCNC(=O)/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPDMVHWYGITIK-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3Cc4ccccc4CN3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBRRZQUTMYFAT-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1cc2c(cc1F)CC1C(=O)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=S)N1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZIOUNAHFNNPW-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ccc2c(c1)N1C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBZNNKWTJJLEU-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc2c(c1)N1C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPXUISYXCCATD-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ccc2c(c1)CCC1C(=O)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=S)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYQLNONHDRBAEV-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc2c(c1)CCC1C(=O)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=S)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPPZWGKNLWSQRW-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHABILYKHPOUFD-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2OCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEUWDHCWUWDRLC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LALIDTGFQVACFX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)Nc3cc(F)ccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBWIPIZLLNOTMZ-PDMHGPQCSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(CCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCc6ccc(-c7scnc7C)cc6)C(C)(C)C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKHZKOMUXQUSN-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTTVOWODYFXGJO-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXQVHOWQHXBKW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZYYTQZIXMYIPW-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]cc(CCNC(=O)c3ccccc3Nc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBBIXLWMMOUGA-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWLZYXXMBKLIJE-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLOARNXPIBFMP-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTYKSCYNZQVRKE-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MALXHVGKGSHLTJ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)c3ccccc3Nc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFRFWENQINXUII-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFRKUURFWZMRAG-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMCNIUKDQHXDEI-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]cc(CCNC(=O)c3ccccc3Nc3cccc(Cl)c3C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTKBYDWYXDQBIR-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOPQYPBSRBJDGK-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccc(O)cc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRDPEVBYEIVAJA-UHFFFAOYSA-N", "SMILES:CN(C)c1ccccc1C(=O)NCCc1c[nH]c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAPGPUNOWOEIPA-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBURTCEIHHDKD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)N(CCCN2CCC(c3noc4cc(F)ccc34)CC2)C2COC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBZBVCQJAKKJRK-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(C(F)(F)F)cc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZEMSGMNRGZZRJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Cl)cc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZVXUBQYBBGNZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXCAJUFWQQFRI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGHVKYGFAYUBW-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUQIRGIEPRATEC-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYERVAPNBCDTON-UHFFFAOYSA-N", "SMILES:CC(C)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPWWFQZWFWYBE-UHFFFAOYSA-N", "SMILES:CCCN(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKZFVYOFIERGU-UHFFFAOYSA-N", "SMILES:CCCN(CCCN1CCN(c2ccccn2)CC1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQUQHVGVVJGONQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN(C(=O)c2ccccc2)C2COC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSFPSARJDILORY-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN(CC2CC2)C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BABHTWLYCQUAQX-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN(C(=O)c2ccccc2)C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZCTVAJRNIZDW-UHFFFAOYSA-N", "SMILES:CCCN(CCCN1CCN(c2ccccc2OC)CC1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNARIGRIJHAUAQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTONLQGEWQVONN-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELWYWUXDYKBMW-UHFFFAOYSA-N", "SMILES:CC(C)N(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFHZTAFMZCTOBW-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1)N(c1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLMARMRSAEQFX-UHFFFAOYSA-N", "SMILES:CCCN(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXJMXXQICBXSS-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(CCCN1CCN(c2ccccn2)CC1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHULDTNTBVWTML-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(CCCN1CCN(c2ccccn2)CC1)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJYTMPPIWHLMP-UHFFFAOYSA-N", "SMILES:CC(C)N(CCCN1CCN(c2ccccn2)CC1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIWYMQUWSIANKX-FMIVXFBMSA-N", "SMILES:COc1ccc(/C=C/C(=O)OCCc2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4787323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDYFASLJINSTSY-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccccc2)nc1CCOc1cccc2oc(CCC(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWDYSFSMZKMHD-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1c(-c2ccc(COC(=O)c3ccc(N(C)C)cc3)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOQNEKPTCRKKF-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(OCCc3ccccc3)nc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYCAZXTUVKHNO-XBXARRHUSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTYKOWUCXZLEMA-FYWRMAATSA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(OC)c(OCCc2nc(-c3ccccc3)sc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAWSWTHYYHSQAL-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1c(-c2ccc(COC(=O)c3ccccc3O)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOOABDGOSXPCAX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)OCc2ccc(-c3oc4ccccc4c3C(=O)NCC(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTFJEMNRNPJJG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCc2ccc(-c3oc4ccccc4c3C(=O)NCC(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUGBEGANIDRMH-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1c(-c2ccc(CO)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNCKPMPEGDANJK-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3804986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRZSAIBPXQQZOZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2nccc(OCCc3ccccc3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMICAAQQAWMES-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(-c2ccc(COC(=O)c3cc(O)cc(O)c3)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGGCBQORXDVTE-UMCMBGNQSA-N", "SMILES:N#Cc1ccc(COC[C@H]2O[C@@H](n3c(NCc4ccc(Cl)c(Cl)c4)nc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLDXHOHZQGQOG-XJZBHSCCSA-N", "SMILES:CN(C(=O)c1ccccc1)[C@@H]1C[C@@]2(C)O[C@@](C)(C1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADJMCVKNQBZOY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(C(=O)c4cc5cc(O)ccc5[nH]4)cc3c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZWPMEPJYDKHJG-UHFFFAOYSA-N", "SMILES:Cc1cccc2[nH]c(C(=O)c3cc4cc(NC(=O)Nc5cc(C(C)(C)C)on5)ccc4[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTIFGKEVGPMKR-UHFFFAOYSA-N", "SMILES:Cc1cccc2[nH]c(C(=O)c3cc4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLPFNWFWDSNMJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]c(C(=O)c4cc5cc(O)ccc5o4)cc3c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNPUKLBRQOMOQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc3cc(C(=O)c4cc5cc(O)ccc5o4)[nH]c3cn2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLIAMBFXYVFNQI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(C(=O)c4cc5cc(OC(=O)N6CCC(N7CCCCC7)CC6)ccc5[nH]4)cc3c2)no1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPMDYLUYZOZLPG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nnc(NC(=O)Nc2ccc3[nH]c(C(=O)c4cc5cc(O)ccc5[nH]4)cc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOAHBTFKUNOPRM-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(C)OC(=O)C4CCCC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKNMBDRXIOCSS-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(C)OC(=O)c4cccs4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRUJFZDAQHDPIH-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(C)OC(=O)c4ccc5ccccc5c4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBWRXIKJQBAEV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(C)OC(=O)c4ccccc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRMNVOCYULOLJ-UHFFFAOYSA-N", "SMILES:CCCC(OC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRPGBQJANNIEO-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccccc4)C4CCCCC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUMPQDMXQKMPDB-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccccc4)c4ccccc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTYBEUIDYVWHET-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccccc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUFLMLPYFHDADP-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(C)cc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCPTOAPAILCRT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)OC(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIMIKSCMXJYEOW-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4cc(OC)c(OC)c(OC)c4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCXTWWSJOHNBL-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(C(C)(C)C)cc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPYEAORCOKOLV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPYEAORCOKOLV-MHZLTWQESA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)[C@H](OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPYEAORCOKOLV-HHHXNRCGSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)[C@@H](OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDLEOHKTDCRIQ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4cccc(F)c4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGNYMYBCJZRMLP-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccccc4F)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEVDNCWECKJBCA-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(Cl)cc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQOSIWHDNDGSV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4cccc(Cl)c4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWMKDUKOWNBJY-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccccc4Cl)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEEOJAOJLDLOOA-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(Br)cc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPGJMONLTJSUNV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(C(F)(F)F)cc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIYKWXFONDMANY-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(Cl)c(Cl)c4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCIZAGPQSTRGF-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4cccs4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQRLWOTXNBHWSS-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccco4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBHNRUIXKCAVDO-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)C4CCCC4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQQPMQJXLIYZBI-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc5ccccc5c4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDMNQNILKCGIRU-UHFFFAOYSA-N", "SMILES:CCCCN(C(=O)c1ccc(F)cc1)C(C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXWBKJGQCYQSJ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(N(C(=O)c4ccc(F)cc4)C(C)(C)C)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCMAHTKKMXLHGZ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(N(C(=O)c4ccc(F)cc4)C4CCCCC4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRXLUMSCPHEBO-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(N(C(=O)c4ccc(F)cc4)c4ccccc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGXIXRAXCYPLBU-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)c2ccc(F)cc2)C(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)C(C)(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUWAEKCDVTTAF-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(N(C(=O)c4ccc(F)cc4)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEXUSTHNGKJITI-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C(NC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOYPSCCOLPLKU-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cn(Cc4ccccc4C#N)nn3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMQFGLXLXGIJO-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cn(Cc4ccccc4[N+](=O)[O-])nn3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJGLLKVIHWNTMU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1cc(CN2CCC(Nc3nc(Oc4c(C)cc(C#N)cc4C)c4sccc4n3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKQUGBJFZCCLT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(CN3CCC(Nc4nc(Oc5c(C)cc(C#N)cc5C)c5sccc5n4)CC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSAPOQGGROJJEZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cn(Cc4ccc(S(N)(=O)=O)cc4)nn3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXMHGGPCMIWHJI-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cn(Cc4ccc(C(N)=O)cc4)nn3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBKYBUIYISAPC-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cn(CC(=O)Nc4ccc(S(C)(=O)=O)cc4)nn3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXBDZNDUOKLHQR-OYUWMTPXSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cn([C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4CO)nn3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVKIXIRHMDUJW-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cn(CC(=O)N4CCOCC4)nn3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWUOQHLVAFUNF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cn(Cc3ccc(Cl)cc3)nn2)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGOFWZDYKVGLCA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cn(CCc3ccsc3)nn2)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTARPRZYIJMHP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cn(CC(=O)N3CCCC3)nn2)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTRXHQCTETXYCC-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMFSFGHFWBZSSL-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NCCc2cn(Cc3ccccc3[N+](=O)[O-])nn2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUROQWKZKPDWPP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NCCc2cn(Cc3ccccc3Cl)nn2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYLCRTGDMUXKJG-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2cc(CCNc3nc(Oc4c(C)cc(C#N)cc4C)c4sccc4n3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFOYLSRGKQPAKZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NCCc2cn(Cc3ccc(S(N)(=O)=O)cc3)nn2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGGKIXWYWETLX-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NCCc2cn(Cc3ccc(C(N)=O)cc3)nn2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJCAHGSLJVLRT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1cc(C(=O)N2CCC(Nc3nc(Oc4c(C)cc(C#N)cc4C)c4sccc4n3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTJGOCKIBGGSSK-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(C(=O)c3cn(CC(=O)Nc4ccccc4)nn3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLEICWKLFCFYJW-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(C(=O)c3cn(CC(=O)N4CCOCC4)nn3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSHRIZWPCRKRTH-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NCCc2cn(CC(=O)N3CCOCC3)nn2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZCHOHCYHHAOIZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Cc1nc(NC2CCN(Cc3cn(CC(=O)N4CCCC4)nn3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDWUEXMDRZLFO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CSC(C(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLQMSBJFLQPLIJ-UHFFFAOYSA-N", "SMILES:CC1(CO)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWUWBXIWKJOAK-UHFFFAOYSA-N", "SMILES:CCCCCCC1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYYVSNVUCFQQN-UHFFFAOYSA-N", "SMILES:NC(Cc1ccccc1)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4764428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFWTKQQQJTHTD-UHFFFAOYSA-N", "SMILES:O=CNC(Cc1ccccc1)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4754893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REUQKCDCQVNKLW-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FINKDHKJINNQQW-KXUCPTDWSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKMDIFAEEJIVLZ-UHFFFAOYSA-N", "SMILES:CC1CCCCC1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJZVSKDWYIYSQY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDHYSHGLRHWHDX-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNC(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMEMQVZNTDHENJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCXRAVZVQSHSC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNC=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJUBSNXDDPXBTH-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCCc1cccc(C(F)(F)F)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJVSQJULYXJGV-UHFFFAOYSA-N", "SMILES:CC(SC(C(N)=O)C1CCCC1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFFWMFZWOVDMTI-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIPNEOANWOYWGA-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc(F)c(C(F)(F)F)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZUCLRZIIFBGW-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc(Cl)c(OC(F)(F)F)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLDNIVTJBMRBF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(CSC(C(N)=O)C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUCIJJNZNLYZEB-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cc(Br)cc(Br)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEPIBOBZWHSCSG-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cc(Cl)cc(Cl)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQSTVOSSUHJWIZ-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cccc(OC(F)(F)F)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMXCCIPCFHTEU-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCC1CCCCC1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVBDRDKUNLONN-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cc(F)cc(F)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIBCZBDPDGAIRX-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1c(F)cccc1F)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QABBQMDVLAQNAW-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(CSC(C(N)=O)C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHUUIDWKBSKKNQ-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cccc([N+](=O)[O-])c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMCZMNCHPUJJP-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc([N+](=O)[O-])cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUAKWHAPGJZWCJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CSC(C(N)=O)C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVAFHVUPFFDQBO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CSC(C(N)=O)C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEUYVTRZRCHASS-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(CSC(C(N)=O)C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GADPBOFKKRDDRX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CSC(C(N)=O)C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHCPICFQTWLGKE-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEIXQZOQCFTWLM-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESQDTHRRHMMQM-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cccc(C(=O)O)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWEYSNJEDBFUAZ-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc(C(=O)O)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWHOQMIDNLWISN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CSC(C(N)=O)C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXFPJTBHLUZKRG-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cccc(B(O)O)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKRYNGGDYSTENP-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc2ccccc2c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCPXFZJWFBLDBV-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)n1cc(CSC(C(N)=O)C2CCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTFDZXDALMSNLO-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1csc2ccc(Cl)cc12)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTMPSURCBYWKX-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccnc(Cl)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYXSGZEXDBQBE-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc(Cl)nc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZCQMHXINBJVBB-UHFFFAOYSA-N", "SMILES:NC(=O)C(S)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCPCUZWAIUYWOB-UHFFFAOYSA-N", "SMILES:NCC(C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHRGNFLPIKHSH-UHFFFAOYSA-N", "SMILES:NC(=O)C(C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOHMYQLKPHUOQR-UHFFFAOYSA-N", "SMILES:NC(=O)C(Cc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSAPBIHSLXFIK-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cccc(C(F)(F)F)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJIRRQNRJLWXLL-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cccc(C(F)(F)F)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHNXFOVABWDIAH-UHFFFAOYSA-N", "SMILES:CC(C)CC(SCc1cccc(C(F)(F)F)c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJZXKGRXRTQIJ-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cccc(C(F)(F)F)c1)SCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICPESGQDXBADQ-UHFFFAOYSA-N", "SMILES:CC(C)C(SCc1cccc(C(F)(F)F)c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZGAHFLONGBCET-UHFFFAOYSA-N", "SMILES:CC(C)C(SCc1ccc(Br)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKLXZBYRIGULG-UHFFFAOYSA-N", "SMILES:CC(C)C(SCc1ccc(C(C)(C)C)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLXIXBQAPVHNHS-UHFFFAOYSA-N", "SMILES:CC(C)C(SCc1ccc(OC(F)(F)F)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUFCXAUHONVSJV-UHFFFAOYSA-N", "SMILES:CC(C)C(SCc1ccc(Cl)cc1Cl)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWHPFHELRUWNO-UHFFFAOYSA-N", "SMILES:CCCCC(SCc1cccc(C(F)(F)F)c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEAYMKBYHHWTJZ-UHFFFAOYSA-N", "SMILES:CCCC(SCc1cccc(C(F)(F)F)c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETYTSNIGKTLNW-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1cccc(C(F)(F)F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEGUPYSAIXIVAW-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc(Br)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZMHAQUZVUUPH-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc(Cl)cc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWNDYFSPORGRR-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc(OC(F)(F)F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEDCJSUZHZHSB-UHFFFAOYSA-N", "SMILES:NC(=O)C(SCc1ccc(F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBIAXFLDRXXEJF-UHFFFAOYSA-N", "SMILES:COc1ccc(CSC(C(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPBOLLYRHKBTR-UHFFFAOYSA-N", "SMILES:NC(=O)C(Sc1cccc(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQWKCLIYBAVCOU-UHFFFAOYSA-N", "SMILES:NC(=O)C(SC12CC3CC(CC(C3)C1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INICPKOQJUSLOB-NVHKAFQKSA-N", "SMILES:CC(C)(C)c1ccc(C[S+]([O-])[C@H](C(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INICPKOQJUSLOB-LIXIDFRTSA-N", "SMILES:CC(C)(C)c1ccc(C[S+]([O-])[C@@H](C(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDWUEXMDRZLFO-KRWDZBQOSA-N", "SMILES:CC(C)(C)c1ccc(CS[C@H](C(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDWUEXMDRZLFO-QGZVFWFLSA-N", "SMILES:CC(C)(C)c1ccc(CS[C@@H](C(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPVBDUNOABQJKU-UHFFFAOYSA-N", "SMILES:CC(SC12CC3CC(CC(C3)C1)C2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWBGTUCTQEIOU-UHFFFAOYSA-N", "SMILES:CC(SCc1cccc(C(F)(F)F)c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZYSYBMLOXBABO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCSC(C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPQCJVDYMZUBMC-UHFFFAOYSA-N", "SMILES:CC(Sc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSGSJEFQNLBEAO-UHFFFAOYSA-N", "SMILES:CC(SCc1ccc(Br)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONWCXLYKDWKOU-SOFGYWHQSA-N", "SMILES:O=C1NC(=S)S/C1=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL131469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRLPDFELNCFHW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc([N+](=O)[O-])cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4787056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKMCJXXOBRCATQ-UHFFFAOYSA-N", "SMILES:c1ccc(CSc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHJXCGLVJLMSH-UHFFFAOYSA-N", "SMILES:O=CNCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGWCDYYBQFMFU-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCC1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APJLZFHWKJSWBY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCC1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEKJOIXXYUCYIK-NSHDSACASA-N", "SMILES:CCCCCCCC(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRDZHICYKPGJA-UHFFFAOYSA-N", "SMILES:CC(CC12CC3CC(CC(C3)C1)C2)NC=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXJAMZTPODYMJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAVCGVMEWJZNQR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLHUSUJRZERDM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBVEXGIMBFCEU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHNXTKCFFPDUNY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZTUJDLSMNZOIP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMAVCDJYLIPXAM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZDSNVHRHBPTP-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPOSNITCGGKLS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3cccc(Cl)c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPKOGCKGDVQRK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYURXZSWYREBPW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMKSCAYILRYMJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFGYQULTQNUWDI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSCZMQVOFLXICP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNMCRVIIASCFU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNVIWWXAJYNTGW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXGDHOYXFWWJFN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPIUJSTAATYDD-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSJFCHKRVINFCW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHBYLSYDANZHC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1331625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHFGSJOGLFGDSJ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1SCC(=O)c1ccc2c(c1)OCCO2"]}
{"name": "Cathepsin Z", "xref": ["CHEMBL.TARGET:CHEMBL4160"], "id": "UniProtKB:Q9UBR2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZRMCQAZVTKFG-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc[nH]1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPGFLOHGFHEOG-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1SCC(=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLHLHLCEWDDME-UHFFFAOYSA-N", "SMILES:CCn1cnnc1SCC(=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMHMSHYBHECPN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2cnnc2SCC(=O)c2ccc3c(c2)OCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJEFPURSWNXVDW-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-n2cnnc2SCC(=O)c2ccc3c(c2)OCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHBMWQKMWSXIOG-UHFFFAOYSA-N", "SMILES:O=C(CSc1nncn1-c1cccnc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHDAIASXIZUFV-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(SCC(=O)c2ccc3c(c2)OCCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWAXIVHGRAUBBB-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(C2CCCCC2)n[nH]1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYSHEJOUZCSJNI-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLBYZSATIHFMNB-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(C2CCCCC2)nn1C(=O)C1CCCCC1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRGZGEZRNLPEPN-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(-c2ccncc2)n[nH]1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLROUDNLHNBCMW-UHFFFAOYSA-N", "SMILES:O=C(CSc1ncc[nH]1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNAGUKJFXNYTN-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC(=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1538189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFNULNECCJTJW-UHFFFAOYSA-N", "SMILES:Cn1nnnc1SCC(=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUNMZBAUIQBHX-UHFFFAOYSA-N", "SMILES:O=C(CSc1ccccc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPWQHJQWBYWLDD-UHFFFAOYSA-N", "SMILES:O=C(CSc1cccs1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDJOMMKLRWPRS-UHFFFAOYSA-N", "SMILES:O=C(CSc1nccs1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNGAXZNCFUKJN-UHFFFAOYSA-N", "SMILES:N#CCn1ccnc1SCC(=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPWHKRLKJUUAW-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1SCC(=O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZCAATADQYYDSP-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1SCC(=O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSAKBIKRBNNCP-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)CSc1nncn1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSDOXAGYZHPPPU-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1SCC(=O)c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAMZTWRLMUZVQU-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(Cl)cc(Cl)cc1Cl)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNCUCLUZMDUJS-UHFFFAOYSA-N", "SMILES:COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMOVAKFMYXOIT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIZAQUNHPAFQJH-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2CCN(c3ccnc(Cl)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBXQUBSSXSKIEO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)N2CCN(c3ccnc(Cl)n3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFAXMICPAVZEW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOQWSGILVPHIAY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLZEKRWZGPRFZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEHBIOKXKXSFSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJAHCVZROJUQCE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHBHQYVZBLNICC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGAXPVYFRQWEOQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Br)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMQGHSYVKSXJX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXTYYAOQJPABRK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHWPCWEASFHEC-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IREQAQROLYGFJC-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1NC(=O)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHWZDVXWGLCPBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXVKRWQGVDDHE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWRWGDSPYXIFX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYXAPQPKJCJBZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPUNNNBCZYOHJF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSKTHGTYRNGOU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPPREJSGHSHQMF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWRQQJPYYUUMR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHDOMMMLXSSEC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Br)N1CCN(c2ccnc(Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDYRPPJLRJJBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIYQEALFXCILIA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOFVTWEDAZVQP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDARPRHWXWQVSQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARYHNXWJPGWMDS-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1NC(=O)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOHCOBYYUNDCLS-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXMFAVPOECDWOS-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWDOKCLMGXQUSA-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4762536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARXMBUCIAWVXSO-UHFFFAOYSA-N", "SMILES:CCc1ccc(C)c(NC(=O)N2CCc3c([nH]c4ccccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFZCSRPBQNOYEP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(NC(=O)N2CCc3c([nH]c4ccccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZFOKJIFHOXPCP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PATNJGQHNWUPHG-UHFFFAOYSA-N", "SMILES:COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFLYIWSHDQOQP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)ccc1Cl)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNPAYSNAHVSBA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHOCEOZTHGDAMZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(Cl)cc(Cl)cc1Cl)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBEYVPJNJYFZTR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNVFXHPBQWRIIV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIJLVVVUCMKMM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVZWYZYRMKOCG-HKBQPEDESA-N", "SMILES:COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(F)cc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJFHPPAPSKHEMG-SNJYSJBGSA-J", "SMILES:CCCCCCCCCCCCCCCCCCCCCCOCC(C)(COCCCCCCCCCCCCCCCCCCCCCC)CO[C@]1(C(=O)[O-])C[C@H](OS(=O)(=O)[O-])[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](COS(=O)(=O)[O-])OS(=O)(=O)[O-])O1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590799", "category": ["biolink:ChemicalEntity"], "name": "CAMOSTAT", "xref": ["InChIKey:XASIMHXSUQUHLV-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1"], "synonym": ["Camostat", "Camostat", "Camostat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4127793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYBUBWEVGXIOJ-UTUOFQBUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)C(=O)NCCCCNC(=N)N"]}
{"name": "Cathepsin F", "xref": ["CHEMBL.TARGET:CHEMBL2517"], "id": "UniProtKB:Q9UBX1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIQDQUOOKVPRP-UHFFFAOYSA-N", "SMILES:COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYEFHZKMOMETBK-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGSYLCNFCRUBNM-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQFCPZJSXPMAOY-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(-c2ccc(Cl)cc2)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDYUBVVUBSINQ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(-c2ccccc2F)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGHXPEJWAHVOJC-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(-c2ccccc2Cl)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBPDRNRDZUZAMO-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)c(C)cc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOMOXMAXBSOJC-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccccc2)nc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVINLXYUDPRQKP-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccc(F)cc2)nc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAUHIUYXWQWOIW-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccc(Cl)cc2)nc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPLCQEIYXYIJFD-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccccc2F)nc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIURXHRLXKOKLQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(C)c(=O)c(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATDWQANHYHLDBY-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccc(C(F)(F)F)cc2)nc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVKZWOFSNVWCQ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccc(F)c(Cl)c2)nc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSYWWPPFYREKJS-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(C)c(=O)c(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAJMNPGYTYIUHZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)nn(-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTWJNKSMXXZPHK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)nn(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXYBQAANIIJAL-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)nn(-c2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDCIREBMHUKJFH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)nn(-c2ccccc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTWGIFGCBZIICF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)c(=O)n(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLSBOXFDVDHJRK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)nn(-c2cccc(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKJOINGMAVYOI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)nn(-c2cccc(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEZZHYDOSHWIHP-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)nn(-c2ccc(F)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBPEYBVEOFRDX-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)c(=O)n(C)c2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRINNFFYRQVHGO-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZULDRJDFVJOTG-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVWXYFPHCMWHR-UHFFFAOYSA-N", "SMILES:Cn1ccc2cccc(C(=O)Nc3cccc4c3N(Cc3ccc(OC5CCNCC5)cc3)CCC4)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYNLVKGKRBJAN-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(C(=O)Nc3cccc4c3N(Cc3ccc(OC5CCNCC5)cc3)CCC4)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDRVKMTXGOFER-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(C(=O)Nc3cccc4c3N(Cc3ccc(OC5CCNCC5)cc3)CCC4)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCPHOAHFPIUHJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJGKNESWJPNFAZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNWPSZZIGGXLJ-UHFFFAOYSA-N", "SMILES:Cn1nc(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTPPVUPARHOCL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVOQXLVMVACFAH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPSDGZAUATFLQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIAWIOSSAFQPC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZIAUQDQIWHGAM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIRIWSLNIKWWJQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWRXVURMEGJZAY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFSOEKUDDZIBHR-UHFFFAOYSA-N", "SMILES:Cc1ccncc1C(=O)Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKOKFMQWVIAPQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1ccc(C(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUMKMBFYNUQCG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPIVABDCKMZSFD-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OCC4CCOCC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCFWWZFXGSWFE-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CN2CCCc3cccc(NC(=O)c4cc5sccc5n4C)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWAHLCQIGYPPJD-UHFFFAOYSA-O", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OCC4CC[N+](C)(C)CC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQHUDUNXEMXDTN-UHFFFAOYSA-N", "SMILES:CN1CCC(COc2ccc(CN3CCCc4cccc(NC(=O)c5cc6sccc6n5C)c43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKHVIVGMORTOE-UHFFFAOYSA-O", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CC[N+](C)(C)CC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNLOZQOFMFEHDF-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(CN3CCCc4cccc(NC(=O)c5cc6sccc6n5C)c43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQTMXHTVAXMEIM-YOCNBXQISA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(O[C@H]4CC[C@H](N(C)C)CC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVELPRLLUUZUQM-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OCCCN)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBVSJDGGRQITQY-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OCC4CCNCC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZTCYYQIDUNFSM-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDIYVBMEXMBZJY-HCGLCNNCSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(O[C@H]4CC[C@H](N)CC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDIYVBMEXMBZJY-QUPDYRNUSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(O[C@H]4CC[C@@H](N)CC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBAFOCIYYGGRDY-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVJFCHJDIDTEAT-OAQYLSRUSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC[C@@H]4CCNC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVJFCHJDIDTEAT-NRFANRHFSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC[C@H]4CCNC4)cc2)CCC3)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSNNQXVJVEDMY-FQEVSTJZSA-N", "SMILES:CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257990", "category": ["biolink:ChemicalEntity"], "name": "(+)-TRANYLCYPROMINE", "xref": ["InChIKey:AELCINSCMGFISI-BDAKNGLRSA-N", "SMILES:N[C@H]1C[C@@H]1c1ccccc1"], "synonym": ["Trans-2-Phenylcyclopropanamine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4788415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHBJBCQLJZYON-TUVASFSCSA-N", "SMILES:N[C@H]1CC[C@H](N[C@H]2C[C@@H]2c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNONGCWXGZQDC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJMEGZARFVCFY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUSUDCYEGYBDBC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBJIMLNZJVUIK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYWUYHHCBKOELN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXHBOTLFZOIJRZ-UHFFFAOYSA-N", "SMILES:CC(C)n1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGCTXXJBCWEQMD-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKLVTNJHLONBN-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDHRWZZLVMSIF-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOBCWVSINXZNLJ-UHFFFAOYSA-N", "SMILES:CCCn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIBDAXYLAPBJSQ-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDKTRKHMGXBPS-ZRDIBKRKSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOKSDSNRXIBXCC-WYMLVPIESA-N", "SMILES:CCN(CC)C(=O)Oc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQVOBYFNTVEOD-ACCUITESSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGIUFKOTVNGVKP-ZRDIBKRKSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONJTMHYAWPQHW-FYWRMAATSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N(CC)Cc2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNNPXTZWADKUJP-SDNWHVSQSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWFZYRJWHFSLOE-JLHYYAGUSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKSGIYUZRTUTJ-CZIZESTLSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC(=O)N(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFUXEHNZQELSW-ZRDIBKRKSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUVGFBXWMIIQJF-WYMLVPIESA-N", "SMILES:CCN(CC)C(=O)Oc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJNWRAQDSOTQS-PKNBQFBNSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCc3ccccc3C2)ccc1OC(=O)N(C)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJGKMXXAHDHHEF-HTXNQAPBSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCc3ccccc3C2)ccc1OC(=O)N(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZIJKUJAHPGAK-PKNBQFBNSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCc3ccccc3C2)ccc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINGJGMSNDJSNH-ACCUITESSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLOQGGYHKLMHI-CZIZESTLSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC(=O)N(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQCSORRMFIOHM-PKNBQFBNSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVHOEUHHAHFBJU-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCCCC2)ccc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTYPMGQTQZTSS-FBMGVBCBSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCCCC2)ccc1OC(=O)N(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOURHYYDCUECQR-LSDHQDQOSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCGFHIZLBSWKK-PKNBQFBNSA-N", "SMILES:CCN(CC)C(=O)/C=C/c1ccc(OC(=O)N(C)C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGOWPYBNKSIRG-SDNWHVSQSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKXJPOYCMLZTF-UFHPHHKVSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@H]1c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKXJPOYCMLZTF-CUBQBAPOSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FURDMJUQRNNUHH-VAVYLYDRSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@H]1c1cccc(-c2ccc(CO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLOGLAOMVVXPAF-MXBOTTGLSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2cccc([C@H]3N(C(=O)OC(C)(C)C)CC[C@]34C(=O)Nc3ccccc34)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPMDXUGCPQCIS-VAVYLYDRSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@H]1c1cccc(-c2cccc(S(C)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCOXMLFEWOILDZ-PDDLMNHVSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@H]1c1cccc(-c2ccc(CO)c(S(C)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCOXMLFEWOILDZ-YZNIXAGQSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1c1cccc(-c2ccc(CO)c(S(C)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSIIUZYJPVSIJG-MXBOTTGLSA-N", "SMILES:COC(=O)c1ccc(-c2cccc([C@H]3N(C(=O)OC(C)(C)C)CC[C@]34C(=O)Nc3ccccc34)c2)cc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSIIUZYJPVSIJG-HVNZXBJASA-N", "SMILES:COC(=O)c1ccc(-c2cccc([C@@H]3N(C(=O)OC(C)(C)C)CC[C@@]34C(=O)Nc3ccccc34)c2)cc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYQGRYRHNUHTJF-PDDLMNHVSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@H]1c1cccc(-c2cc(F)c(CO)c(S(C)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYQGRYRHNUHTJF-YZNIXAGQSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1c1cccc(-c2cc(F)c(CO)c(S(C)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKYKYFYFWNCSE-PDDLMNHVSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@H]1c1cccc(Nc2ccc(CO)c(S(C)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKYKYFYFWNCSE-YZNIXAGQSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1c1cccc(Nc2ccc(CO)c(S(C)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNZKYVACXRKTP-GRKNLSHJSA-N", "SMILES:CC(C)(C)CC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@H]1c1cccc(-c2ccc(CO)c(S(C)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNZKYVACXRKTP-IZEXYCQBSA-N", "SMILES:CC(C)(C)CC(=O)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1c1cccc(-c2ccc(CO)c(S(C)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPJZEKKSWULRNT-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)OCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNPNOQNDUVOUBC-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)Nc1cccc(-c2nncn2C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYAZAAITCADJZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)NCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AINYZZUAIHBCKC-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDJBDFWZAXSEOM-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cccc(-c3cnn(C)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTUYIYBUJRRDV-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc(-c3cnn(C)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTVBHOYTGZPMF-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCQNWUOQAFVEGF-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKUIHKMCHHWCS-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYYVVGXEINROI-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYQTYPQRDQSIH-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc(-c3cnn(C)c3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISZAOVWUJCVAR-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc(-c3ccn(C)n3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYODWFXYQMVAP-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOQIFESGDAVHGD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNRIHHWSJKGSQK-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZXUNSOCHCFSA-UHFFFAOYSA-N", "SMILES:CCc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFKNURQJPGCULT-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXAHMFKOHPELJT-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc(C3CC3)n[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYDUOIXZYYTLL-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZDHCLSJKSBEA-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnn(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKDNUEBNRIFBDZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHRWHXBYYUTFV-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccc3cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOKUOXGOODHMB-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIDSSIBTYFQPFB-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccnc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEKWFKGOIRYGW-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncnc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBKLCTLVYVZCNY-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnc3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUXWLVZHBCHQJX-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncc3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBSRPCYTKJDJKN-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncc3[nH]cnc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFBUUSCOAZOGQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTKKBSZWJJGAL-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBBBVHQOAFZUBJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBTGWVCMBUIRDC-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnn3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCVZBLBVHPNMFZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(N(C)C(=O)N(C)c2cc3ccccn3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZJXLKCIMOAAOX-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)N(C)c2ccc3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANCZNPGQXFLAIW-CYBMUJFWSA-N", "SMILES:C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBCNGKYVBNFZMC-CYBMUJFWSA-N", "SMILES:C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2ccc3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMATLGUCVIVBO-GFCCVEGCSA-N", "SMILES:C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cnc3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTUGUOSNRAFAQ-GFCCVEGCSA-N", "SMILES:C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2ncc3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSYUZRLLPWNNAL-GFCCVEGCSA-N", "SMILES:C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGCMQKWOUIMBEP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMCCRMNZCDFKRM-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(Oc2cc(=O)[nH]c3ccccc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNONGKMYAONBZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(c3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMNSCDFHCYFPT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUMGWZZDFPCFI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(C(=O)c3ccco3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXIFUPYMITXGGK-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1CCN(C(=S)SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXNQCFDUMIINF-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(C(=S)SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNIGAHFKIJEMQC-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(C(=S)SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJMNPDDOAZFGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=S)SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABZBORHAEWIHGS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(Cc3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLELFAQDDCZPPC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGOLETKNUUBXSL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(C3CCCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLRBEBCNCWDHG-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=S)SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQGARLUGCJBSLB-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccc(O)cc2)N(Cc2ccc(OCCN3CCCCCC3)cc2)C2C=CC(O)=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVCCTBSOVIZBK-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)CC1c1cn(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUAMFHZREGDUOP-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(N)=O)C(c3cn(Cc4ccc(OCCN5CCCCC5)cc4)c4ccc(Br)cc34)C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIHWCUZPYYMYTC-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)CC1c1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVPQXRGVFFBNR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=NN(C(N)=O)C(c2cn(Cc3ccc(OCCN4CCCCC4)cc3)c3ccc(Br)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWOQUUCTAJXBRX-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=NN(C(N)=O)C(c3cn(Cc4ccc(OCCN5CCCCC5)cc4)c4ccc(Br)cc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTRAQZGHIARAP-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(N)=O)C(c3cn(Cc4ccc(OCCN5CCCCC5)cc4)c4ccc(Br)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFFNQGFFBGTBC-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(F)cc2)CC1c1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCAWYXIDFVMZPV-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDPAEQPZBINBJ-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(Br)cc2)CC1c1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKDROPVTQAUBZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(N)=O)C(c3cn(Cc4ccc(OCCN5CCCCC5)cc4)c4ccc(Br)cc34)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCELEWHFPKWCTD-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2cccc(C(F)(F)F)c2)CC1c1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTLVMOAQKGXTA-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2cccc(Cl)c2)CC1c1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPACIXZZJZAYIL-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(N)=O)C(c3cn(Cc4ccc(OCCN5CCCCC5)cc4)c4ccccc34)C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMFVEOOSNNFZMY-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)CC1c1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPWYSUPEMGZMLM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(N)=O)C(c3cn(Cc4ccc(OCCN5CCCCC5)cc4)c4ccccc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDCYCYUJGJPMOP-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(F)cc2)CC1c1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWZQFZTPMJYNP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1CC(c3cc(OC)c(OC)c(OC)c3)=NN1C(N)=O)cn2Cc1ccc(OCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQGUHLBFBWBJV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1CC(c3ccc(C(F)(F)F)cc3)=NN1C(N)=O)cn2Cc1ccc(OCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUMKERCELNDJPP-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(N)=O)C(c3cn(Cc4ccc(OCCN5CCCCC5)cc4)c4ccc(OC)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGVQBLBVCTARK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1CC(c3ccc(F)cc3)=NN1C(N)=O)cn2Cc1ccc(OCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVCCTBSOVIZBK-JGCGQSQUSA-N", "SMILES:NC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)C[C@@H]1c1cn(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVCCTBSOVIZBK-YTTGMZPUSA-N", "SMILES:NC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)C[C@H]1c1cn(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFOVVKCJJFEYMH-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)CC1c1cn(Cc2ccc(OCCN3CCOCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVXRTORTWFMQB-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)CC1c1cn(Cc2ccc(OCCC3CCNCC3)cc2)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDOGDNSCTDZPSE-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(Cn2cc(C3CC(c4ccc(C(F)(F)F)cc4)=NN3C(N)=O)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDXHKSQBOINSOY-UHFFFAOYSA-N", "SMILES:CCCCCCCOc1ccc(Cn2cc(C3CC(c4ccc(C(F)(F)F)cc4)=NN3C(N)=O)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTEDVJOQPIHGAN-WUXMJOGZSA-N", "SMILES:O=C(Nc1ccc(-n2cc(CCOC(=O)/C=C/c3ccc4c(c3)OCO4)nn2)cc1)Nc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGVIOMVWBSCXKR-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)OCCc1cn(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVFKODAMUKROK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Nc1ccc(-n2cc(CCOC(=O)CC(C)C)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJDCJOGPWUUGBP-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)OCCc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAVWXFYXZJOXIV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-n2cc(CCO)nn2)cc1)Nc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLPIIXIQZLZDF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Nc1ccc(-n2cc(CCO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICUNRVAIRIJOGL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Nc1ccc(-n2cc(CCCN(C)C)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYXWMEJHCRIHHD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Nc1ccc(-n2cc(CCCN3CCN(C)CC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUHRTDWFZQGGH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Nc1ccc(-n2cc(CCCN3CCOCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSWBDSDIDMWKRJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Nc1ccc(-n2cc(CCN3CCOCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSYQBKWUVFWSC-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3cc(O)ccc3C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHECDPFZFBMLNF-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3cc(OCOC)ccc3C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTIZPVBKWQTVIZ-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3cc(OP(=O)(OCC)OCC)ccc3C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYEBEEBBPLWJPB-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3cc(OC4CCCC4)ccc3C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWIKHLLGOFHOI-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3cc(OC4CCOC4)ccc3C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDBGBNXXSZGCPD-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3cc(CCC(C)=O)ccc3C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYCYVBAEZADNE-UHFFFAOYSA-N", "SMILES:COCCc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEIPCKWDYRWVCC-UHFFFAOYSA-N", "SMILES:CCOCc1cn(-c2ccc(NC(=O)Nc3cc(C(C)C)ccc3C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWAXPGDDLOUZFO-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCc1cn(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCUURGLUITWTM-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cn(-c2ccc(NC(=O)Nc3cccc4cnccc34)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCHRQMVAMAJHGK-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3cccc4cnccc34)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZPQWTRWEKFHPZ-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFTXZLJLGZWAD-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cccnc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXHUYCWEZYIHHP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c(c2)C=CS(=O)(=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXASSMVTZKGURM-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc3c(c2)C=CS(=O)(=O)O3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVZYJFKHKWRJCT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cnc3c(c2)C=CS(=O)(=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQNYXANZPCQKC-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-c3ccc(Cl)cc3)cnc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEUBCPQEVZGSKB-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-c3ccccc3)cnc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMOBYCGCJWSHI-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-c3cccc4ccccc34)cnc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLQLENVPQZHPA-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-c3cc(Cl)cc(Cl)c3)cnc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFZQBBUJHMMDHR-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-c3ccc(-c4ccccc4)cc3)cnc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTWOOTOUPJQVDE-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-c3ccc(OC(F)(F)F)cc3)cnc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXAVZGEPMKPOR-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-c3ccc(C(F)(F)F)cc3)cnc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL96", "category": ["biolink:ChemicalEntity"], "name": "GAMMA-AMINOBUTYRIC ACID", "xref": ["InChIKey:BTCSSZJGUNDROE-UHFFFAOYSA-N", "SMILES:NCCCC(=O)O"], "synonym": ["Aminobutyric acid", ".gamma.-aminobutyric acid", ".gamma.-amino-butyric acid", ".gamma.-amino-n-butyric acid", "4-aminobutyric acid", "Aminobutyric acid, gamma-", "Butyric acid, 4-amino-", "Factor i", "Gamma-aminobutyrate", "Gamma-aminobutyric acid", "NSC-27418", "Gamma-aminobutyric acid", "Vigabatrin impurity, .gamma.-aminobutyric acid-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL549359", "category": ["biolink:ChemicalEntity"], "name": "GLAUCOCALYXIN A", "xref": ["InChIKey:UCDVIBNDYLUWFP-MJTHGBBVSA-N", "SMILES:C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2CC[C@@H]1[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL18786", "category": ["biolink:ChemicalEntity"], "name": "CINANSERIN", "xref": ["InChIKey:RSUVYMGADVXGOU-BUHFOSPRSA-N", "SMILES:CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1"], "synonym": ["Cinanserin", "Cinanserine", "Cinanserina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNTQYQVCFPNVJF-CTMUPGRJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGBIOOQBYHOHQA-UHFFFAOYSA-N", "SMILES:c1ccc(CCCCOc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPUTFRSPYXSFQ-UHFFFAOYSA-N", "SMILES:c1ccc(CCOc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWPSTJGPSOCQIH-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYSAKHOYBPSPC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLAYLOOJBAJIRU-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1532826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBUOESFHRORQT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nn[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZNTWOVDIXCHHS-LSDHHAIUSA-N", "SMILES:Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL228043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSVTDVJQAJIFG-VURMDHGXSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(Br)ccc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4761399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWAXAMHMBJMAOD-UHFFFAOYSA-N", "SMILES:CCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZNWPMVPWLZVMZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(S)nc3ccc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXPQNNBUUWDDJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3ccc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFGYUMVMFKMLJB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLQFUWDDRVOTR-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CSc2nc3ccc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPGMZNQGQRLPW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nc3ccc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHINLUAWWNHMW-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFRMUXSDAUEPX-UHFFFAOYSA-N", "SMILES:CCc1cccc(NC(=O)CSc2nc3ccc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZQQEFZZPIEFPM-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)CSc2nc3ccc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPPLUZVQGSQDM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc3ccc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFSXDSDKHFWSFD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)CSc2nc3ccc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKKSGVUUAJAII-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nc3ccc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKAEOFTACUYHR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nc3ccc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBKYTDMATUTLY-UHFFFAOYSA-N", "SMILES:Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRSWGBFQOKWVBZ-UHFFFAOYSA-N", "SMILES:Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHNDOHSJEPNGKJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc3ccc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSMMEZIWXEAKE-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMKMWMMEOQNVNJ-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJGEKUQPXQKPN-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMLEADGAGJZNQ-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNYZUQXJDCIDN-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZGGSMJBHLONV-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVILGAVIAAWSJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1CN1CCC(O)(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXNAHHICJUWMO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CN2CCC(O)(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENZYLXWRRYHCQ-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccc(F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVWBLNLENWRDFU-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZSKEJUCSVTRRU-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccc(Br)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOBONEGVFQCZTM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CN2CCC(O)(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKRUBIFTOJNUFE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CN2CCC(O)(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGRGCGARWGXBGN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CN2CCC(O)(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXZVGFVXHJRTBG-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)ccc1CN1CCC(O)(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTOMZHHYIXMMU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(N2CCC(O)(Cn3cnc4c(-c5ccc(CNC(C)=O)cc5)n(C)nc4c3=O)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRJDCAJOKOZRD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CN2CCC(O)(Cn3cnc4c(-c5ccc(CN)cc5)n(C)nc4c3=O)CC2)c(Cl)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXFEDGKAYSQJV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(N2CCC(O)(Cn3cnc4c(Br)n(C)nc4c3=O)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KESVJGHNRWVBMM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(N2CCC(O)(Cn3cnc4c(-c5ccc(CNC(=O)OC(C)(C)C)cc5)n(C)nc4c3=O)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOVBRGGTLZSFEQ-VEIFNGETSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccc(CN)cc4)n(C)nc3c2=O)CC1)c1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPEIOVRWCDRLLP-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(c2ncccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTFWLCZTGSTAFM-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccccc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNISYODBZAYRML-UHFFFAOYSA-N", "SMILES:O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccc(Cl)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUEKYTOYXUJICS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCC(O)(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRGXXKZQFYBTP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(CN2CCC(O)(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIWAYTTYNFEKL-QFIPXVFZSA-N", "SMILES:CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C"]}
{"name": "RISC-loading complex subunit TARBP2", "xref": ["CHEMBL.TARGET:CHEMBL2098"], "id": "UniProtKB:Q15633", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPDPVJBRHSSHX-DPHITLOKSA-N", "SMILES:C[C@@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POESURWISNRQEM-QHHYFVSCSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(Cc2ccc(N3CCCNC3=O)cc2)(C(=O)O)C(=O)O)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYVWUKCKQYQMW-QXJPFOHGSA-N", "SMILES:CCOC(=O)C(OC[C@H]1C[C@@H](n2nnc3c(NC[C@@H]4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOAJMSCDHFOGX-SFYZADRCSA-N", "SMILES:Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792487", "category": ["biolink:ChemicalEntity"], "name": "LY-3475070", "xref": ["InChIKey:WHRUIISQCORGKK-KOLCDFICSA-N", "SMILES:Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1C(C)C"], "synonym": ["Ly 3475070", "Ly-3475070", "LY3475070"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVLKJCZFKIBAV-WPRPVWTQSA-N", "SMILES:CC[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEUCCJMNTOSYPJ-JQWIXIFHSA-N", "SMILES:Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBVECFKXAEZFB-SCZZXKLOSA-N", "SMILES:Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1C(C)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAVHOBCZULINJZ-RQJHMYQMSA-N", "SMILES:O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)F)cnn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWJHOJKPWMVOCN-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(C3CC3)c(Cl)nn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URINIGQVMCZUKI-SFYZADRCSA-N", "SMILES:CC(C)[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHFINTIJIZWNDC-ZCFIWIBFSA-N", "SMILES:O=c1[nH]cc(-c2cc([C@H]3CC3(F)F)c(Cl)nn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWZVEKUQVINOOS-XINAWCOVSA-N", "SMILES:O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)F)c(Cl)nn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZADHLIXKLNEA-XRGYYRRGSA-N", "SMILES:CC(F)(F)[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMYXCWUCZLYHON-UHFFFAOYSA-N", "SMILES:Cl.O=c1[nH]cc(-c2cc(C3CCC3)c(Cl)nn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUUNMWDKZAFRY-UHFFFAOYSA-N", "SMILES:CC1(C)CC(c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNKQFMVTPFQBIL-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(C3CC(F)(F)C3)c(Cl)nn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGRQXHOXGOTGGR-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(C3CCCC3)c(Cl)nn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZNYTHDXYHZBH-UHFFFAOYSA-N", "SMILES:N#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JASPDFDQPKZLNP-BDAKNGLRSA-N", "SMILES:CC(C)[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMZOSFGMXRDSCV-VDTYLAMSSA-N", "SMILES:N#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEDKKDYKGITBAV-UHFFFAOYSA-N", "SMILES:N#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGUGBNQKRJFMM-UHFFFAOYSA-N", "SMILES:N#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEBLQQPPZJPOPX-ZETCQYMHSA-N", "SMILES:N#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@@H]1CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORWDAWMWCQUAN-YUMQZZPRSA-N", "SMILES:CC[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCYLLWRLWNSMG-UHFFFAOYSA-N", "SMILES:COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEZYSSKSTZDJOX-UHFFFAOYSA-N", "SMILES:COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVQIDGUTJWLBBE-UHFFFAOYSA-N", "SMILES:COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBOSEAYBAPUFLX-UHFFFAOYSA-N", "SMILES:COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHEYFJTYNBJVLL-UHFFFAOYSA-N", "SMILES:COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYGAMFZVLJUQD-UHFFFAOYSA-N", "SMILES:COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNCTHXRJNCVJY-WPRPVWTQSA-N", "SMILES:Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1CCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1206141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILXFKEOLRYLPJG-IDTAVKCVSA-N", "SMILES:CCN(CC)c1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Br)(Br)P(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSZVIMRUDWGINS-QYVSTXNMSA-N", "SMILES:CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLYSLPYKLFYSL-QYVSTXNMSA-N", "SMILES:CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIHCMASBGERAP-QYVSTXNMSA-N", "SMILES:CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWKVPRFHUNTXGS-HSNBEZQTSA-N", "SMILES:O=C(/N=C1\\C=CC=C(C(=O)/N=C2\\C=CC=C(C(=O)/N=C3\\CC=C(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c43)C2)C1)/N=C1\\C=CC=C(C(=O)/N=C2\\C=CCC(C(=O)/N=C3\\CC=C(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c43)=C2)C1"]}
{"name": "Ectonucleoside triphosphate diphosphohydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL4739681"], "id": "UniProtKB:P55772", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGJDRJZEWPXQFL-UHFFFAOYSA-J", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)[O-])c(S(=O)(=O)[O-])c4)n3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+].[Na+].[Na+]"]}
{"name": "Ectonucleoside triphosphate diphosphohydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL2767"], "id": "UniProtKB:P97687", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL271673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KINIBOSGQKLOIT-UHFFFAOYSA-M", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRIQWRNOWTUBN-UHFFFAOYSA-M", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Nc2ccc3ccccc3c2)c2c1C(=O)c1ccccc1C2=O.[Na+]"]}
{"name": "Ectonucleoside triphosphate diphosphohydrolase 2", "xref": ["CHEMBL.TARGET:CHEMBL3300"], "id": "UniProtKB:O35795", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWEZXUNAYVCODW-RBUKOAKNSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(O)cc1CCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3402654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDZOUSULXZNDJH-LSDHHAIUSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(C)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3810140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMBSVQNZZTUGM-MSOLQXFVSA-N", "SMILES:C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1O"], "chembl_natural_product": true}
{"name": "Steroid 17-alpha-hydroxylase/17,20 lyase", "xref": ["CHEMBL.TARGET:CHEMBL4430"], "id": "UniProtKB:P11715", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Adenosine receptor A1", "xref": ["CHEMBL.TARGET:CHEMBL2304404"], "id": "UniProtKB:P47745", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUZQFNOFRAEGLN-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2nc(C3C(C)(C)CCC3(C)C)[nH]c2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL317181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNIOBOYWQUFRMI-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)CN1C(=O)C(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1"]}
{"name": "Cholecystokinin receptor type A", "xref": ["CHEMBL.TARGET:CHEMBL3501"], "id": "UniProtKB:Q63931", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJGGQFHEPYGYPC-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)CN1C(=O)C(C)(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVUOYLXUHCWIO-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)CN1C(=O)C(C)(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL302810", "category": ["biolink:ChemicalEntity"], "name": "SPIROPIPERIDINE", "xref": ["InChIKey:JUXAVSAMVBLDKO-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1)NC1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLIZMYCHWWZLML-MIHMCVIASA-N", "SMILES:CC(C)(N)NC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CC(S(C)(=O)=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381408", "category": ["biolink:ChemicalEntity"], "name": "SAR-405838", "xref": ["InChIKey:IDKAKZRYYDCJDU-HBMMIIHUSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12"], "synonym": ["Sar 405838", "Sar-405838", "Sar405838", "MI-77301", "SAR405838"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXRKYCETUZOSA-UHFFFAOYSA-N", "SMILES:CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccc(C(F)(F)F)cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPHILACXNMTZEE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBBXTGWSGPEJEE-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2c(Sc3ncnc4c3sc3ncccc34)nnc2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEXNACQROZXEV-ZRPLFPEYSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(\\C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4790706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYBTVKYLVLWCB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3ccc(O)c(C)c3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNVZAKIELTZTL-UDUYBXLASA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)CC(C)C)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKLYFGHIFNAGDA-NKZLVUPJSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)CC(C)C)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNLJWFKZTVZND-HQOCORJMSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCCC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)CC(C)C)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEHGORLFBVMZAE-GCPQKVQISA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCCCC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)CC(C)C)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWLCHNOMBKWNJ-JXJKFGGBSA-N", "SMILES:CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3301909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJEFXYVVRUAFEB-KYZOVJJKSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N(C)C)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBMXRYALFPXLMA-UCPUWLPESA-N", "SMILES:CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(OC)cccc2C3=O)[C@H]1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKHJCRMPYWONTM-RRYXKZLTSA-N", "SMILES:CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLYYHMATMXHAJD-MUSIKMTQSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N(C)C)[C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNZPQXXGAMXDHH-FCNQEGBTSA-N", "SMILES:CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4762068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEYVSXCINGFXMS-ILPMSGFSSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3CCC(=O)[C@H](C)O3)[C@H](C)O2)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUWPAUJZCCHLM-MAOURQADSA-N", "SMILES:CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4785287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUNNANZEUZITRL-KGLUEZTISA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N(C)C)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3CCC(=O)[C@H](C)O3)[C@H](C)O2)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502620", "category": ["biolink:ChemicalEntity"], "name": "ACLARUBICIN", "xref": ["InChIKey:USZYSDMBJDPRIF-SVEJIMAYSA-N", "SMILES:CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC"], "synonym": ["Aclarubicin", "Aclarubicin", "Aclarubicin", "Aclarubicine", "Aclarubicina", "Aclarubicin", "Aclarubicin hydrochloride", "Aclacinomycin a", "Aclacinomycin a", "Aclarubicin", "NSC-208734", "Aclarubicin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFULWUBPHOPRHT-AUWJEWJLSA-N", "SMILES:CC(C)(CO)CNC1=NC(=O)/C(=C/c2csc(-c3cccc(OC(F)(F)F)c3)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSKHNGTTPBMGS-MLPAPPSSSA-N", "SMILES:CC(C)(CO)CNC1=NC(=O)/C(=C/c2csc(-c3cccc(OC(F)(F)F)c3O)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHROWLIZOFWTLY-MKVDWAIRSA-N", "SMILES:O=C1N=C(N[C@H]2CCC[C@@H]2CO)S/C1=C\\c1csc(-c2cccc(F)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BURHJLJPVXBBPS-WQRHYEAKSA-N", "SMILES:O=C1N=C(NCC2CCN(CCO)CC2)S/C1=C\\c1csc(-c2ccccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIKTSVOLHKPTH-NSIKDUERSA-N", "SMILES:CC(C)(CO)CNC1=NC(=O)/C(=C/c2csc(-c3ccc(F)cc3O)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZNPKIADIQDDHR-NSIKDUERSA-N", "SMILES:CC(C)(CO)CNC1=NC(=O)/C(=C/c2csc(-c3cc(F)ccc3O)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXMOBMOFJTSOO-QVFMACLSSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](CO)[C@H]1NC1=NC(=O)/C(=C/c2csc(-c3ccccc3O)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBXLVWYCTZRGP-MLPAPPSSSA-N", "SMILES:CC(C)(CO)CNC1=NC(=O)/C(=C/c2csc(-c3cccc(F)c3O)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTMKEIVWWFYRW-YBEGLDIGSA-N", "SMILES:CN1CCC(O)(CNC2=NC(=O)/C(=C/c3csc(-c4ccc(OC(F)(F)F)cc4)n3)S2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNBAEFORZFIQR-NVNXTCNLSA-N", "SMILES:O=C1N=C(NCC2(CO)CCC2)S/C1=C\\c1csc(-c2ccccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRIZYAMTGFEWTK-AUWJEWJLSA-N", "SMILES:O=C1N=C(NCC2(CO)CC2)S/C1=C\\c1csc(-c2ccccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWSUMCMVQTLCK-AUWJEWJLSA-N", "SMILES:CC(C)(CO)CNC1=NC(=O)/C(=C/c2csc(-c3ccccc3O)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNLCMQJUWAFGET-WQRHYEAKSA-N", "SMILES:CN(C)S(=O)(=O)Nc1cccc(-c2nc(/C=C3\\SC(NCC4(CO)CCCC4)=NC3=O)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTTBAJMRWXATIB-SXGWCWSVSA-N", "SMILES:CN(C)S(=O)(=O)Nc1cccc(-c2nc(/C=C3\\SC(NCC(C)(C)CO)=NC3=O)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCOUOOHGHCFMDU-NVNXTCNLSA-N", "SMILES:O=C1N=C(NCC2(CO)CCC2)S/C1=C\\c1csc(-c2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYKZABKOLJBHFG-AUWJEWJLSA-N", "SMILES:O=C1N=C(NCC2(CO)CC2)S/C1=C\\c1csc(-c2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCRFCDVQLGWKBS-AUWJEWJLSA-N", "SMILES:CC(C)(CO)CNC1=NC(=O)/C(=C/c2csc(-c3ccc(OC(F)(F)F)cc3)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENXKDAYRJTEQW-SXGWCWSVSA-N", "SMILES:CN(c1cccc(-c2nc(/C=C3\\SC(NCC(C)(C)CO)=NC3=O)cs2)c1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDQIWDFCEAFGKW-MWBWVTEGSA-N", "SMILES:CN(c1cccc(-c2nc(/C=C3\\SC(N[C@H]4CCC[C@@H]4O)=NC3=O)cs2)c1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHFIOWBFGMRGDI-UNOMPAQXSA-N", "SMILES:CN1CCC(CNC2=NC(=O)/C(=C/c3csc(-c4cccc(N(C)S(C)(=O)=O)c4)n3)S2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBKFRCZYQOJIT-SXGWCWSVSA-N", "SMILES:CC(C)(CO)CNC1=NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KORLHUPICCNRMF-MFUVWIPLSA-N", "SMILES:O=C1N=C(N[C@H]2CCC[C@@H]2O)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJKNQHFJZZGRP-ZROIWOOFSA-N", "SMILES:CN(C)CCNC1=NC(=O)/C(=C/c2csc(-c3ccc(OC(F)(F)F)cc3)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIJYWXHGBJIUMB-OYQLBDEXSA-N", "SMILES:O=C1N=C(N[C@H]2CC[C@H](O)CC2)S/C1=C\\c1csc(-c2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNSDSICMKKSSG-ODLFYWEKSA-N", "SMILES:O=C1N=C(NCc2ccc(O)cc2)S/C1=C\\c1ccc(-c2ccc(OC(F)(F)F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQGYKGBCWVWAO-WQRHYEAKSA-N", "SMILES:CN1CCC(CNC2=NC(=O)/C(=C/c3csc(-c4ccc(NS(C)(=O)=O)cc4)n3)S2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJLAKUDODUOYBK-ODLFYWEKSA-N", "SMILES:O=C1N=C(NCc2ccc(O)cc2)S/C1=C\\c1ccc(-c2ccc(C(F)(F)F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNXJUTYEUAHQN-YVLHZVERSA-N", "SMILES:CN1CCC(CNC2=NC(=O)/C(=C/c3csc(-c4ccc(OC(F)(F)F)cc4)n3)S2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPYFPCREGHDXRV-YHYXMXQVSA-N", "SMILES:NC1=NC(=O)/C(=C/c2csc(-c3ccc(OC(F)(F)F)cc3)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYWYHDCNMBRAE-YVLHZVERSA-N", "SMILES:CN1CCC(CNC2=NC(=O)/C(=C/c3csc(-c4ccccc4O)n3)S2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVSTVHYNMRQJL-ODLFYWEKSA-N", "SMILES:O=C1N=C(NCc2ccc(O)cc2)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBPZYTWLXDOSBP-ODLFYWEKSA-N", "SMILES:O=C1N=C(NCc2cccc(O)c2)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIKAUMXGFXKZHE-MFOYZWKCSA-N", "SMILES:O=C1N=C(NCc2ccoc2)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYYKYONVEDJDBO-ZROIWOOFSA-N", "SMILES:O=C1N=C(NCCO)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDRPBVVFNZVDK-YVLHZVERSA-N", "SMILES:CN1CCC(CNC2=NC(=O)/C(=C/c3csc(-c4ccc(C(F)(F)F)cc4)n3)S2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPZEVYDKJKFNL-ODLFYWEKSA-N", "SMILES:CN1CCCC(CNC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZOMQMCUPRESGU-NDENLUEZSA-N", "SMILES:O=C1N=C(NCCc2ccc(O)c(O)c2)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWOIABDAFBWDX-GDNBJRDFSA-N", "SMILES:O=C1N=C(NCCCO)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXFOFORICPVLAB-WZUFQYTHSA-N", "SMILES:O=C(O)CNC1=NC(=O)/C(=C/c2csc(-c3cccc(Cl)c3)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKKTXEVOECNEIU-DHDCSXOGSA-N", "SMILES:O=C1N=C(NC2CC2)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFLSSJABOHAEQ-MOSHPQCFSA-N", "SMILES:O=C1N=C(NCCc2ccc(O)cc2)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQAGFQJSPZAKB-UNOMPAQXSA-N", "SMILES:CN1CCC(CNC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCIUWYIJNVMZNY-YHYXMXQVSA-N", "SMILES:N=C1NC(=O)/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARSJDYCUPXKCZ-SXGWCWSVSA-N", "SMILES:O=C1N=C(NC2CCOC2)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLGREUJBBIWZJS-AUWJEWJLSA-N", "SMILES:O=C1N=C(NCC2CC2)S/C1=C\\c1csc(-c2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSJYZOBOYMRTOP-GDNBJRDFSA-N", "SMILES:CC(C)(C)NC1=NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHILHZNSEGQVDU-ODLFYWEKSA-N", "SMILES:O=C1N=C(NCc2ccc(F)cc2)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNMFBASWKYTRR-GHXNOFRVSA-N", "SMILES:O=C(O)CCNC1=NC(=O)/C(=C/c2csc(-c3cccc(Cl)c3)n2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOFCADQWKQSHKD-SXGWCWSVSA-N", "SMILES:O=C1N=C(NCC2CC2)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATDTRPLYCOJDC-WQRHYEAKSA-N", "SMILES:O=C1N=C(NCc2ccccn2)S/C1=C\\c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKDPFWXCYVXEI-AUWJEWJLSA-N", "SMILES:O=C1N=C(NCC2CC2)S/C1=C\\c1csc(-c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCUJKPPARUPFJM-JIHKLPAASA-N", "SMILES:N[C@H]1CCCN(c2c(/C=C3\\SC(=O)NC3=O)cccc2-c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAPPKQMJLOBLDJ-XHSDSOJGSA-N", "SMILES:C[C@@H]1C[C@H](N)C[C@H](c2ccccc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZVRYYXRBNIWGJ-HAWMADMCSA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFJQKRNVJCTQC-HPGBDJQBSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYQHPXZOWBIYRL-PBYQXAPXSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBIYJKFFDZZNNT-OQRWROFFSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)nc1CN1C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNGZGWPAPQEPNM-ADKRDUOOSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)nc1CN1C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCXCSYNQQOSJM-YRVHBCJASA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)N(C)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSTVUFUSFYCMP-OHSXHVKISA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICBLKSZMVCCKFR-YTCPBCGMSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQPQGXRTGWZQF-OIFRRMEBSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)N(C)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISRLYRAHHLNDP-TWLDFKIOSA-N", "SMILES:COc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKVVPGPRHSKJG-MZSJJGOWSA-N", "SMILES:COc1ncc(-c2c(C)cc(C(=O)NC3(C#N)CC3)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZPMQYIJDLMIFG-GSBZAIBZSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNPRXDCLBRRCIK-LHHUKBANSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)N(C)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKKJFHKJPPEKS-NLJOTIRTSA-N", "SMILES:COc1ccc(CCC(=O)O)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCPQXNUIIWEQN-CXMAZGKPSA-N", "SMILES:COc1ccc([C@H]2CC[C@H](C(=O)O)CC2)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALGEFDHGMQSHY-TWLDFKIOSA-N", "SMILES:COc1ccc(-c2cccnc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKVOSMYSRMHLAB-TWLDFKIOSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)nc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTIXQFULANZKLP-FEVNIDIWSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCVCTCLZSEAEQ-GSBZAIBZSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NS(=O)(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVTZXLYSWGJQE-OHSXHVKISA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NS(=O)(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYRKDRGFMYVLBT-CXMAZGKPSA-N", "SMILES:COc1ccc([C@H]2CC[C@H](C(=O)O)CC2)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NS(=O)(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNLJZHBIIUWWIF-MDWZMJQESA-N", "SMILES:COc1cc(/C=C2\\Cc3ccccc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRPPCEHRGYFXHN-UKTHLTGXSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIWUWDIKRXGCEU-WUXMJOGZSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(O)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTZKCUCWDBIXFW-WUXMJOGZSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(N)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLQMPZSKDFYRRN-MDWZMJQESA-N", "SMILES:COc1ccc(/C=C2\\Cc3ccc(O)cc3C2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUJZMKXMYMQCK-AWNIVKPZSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(O)cc3C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWDDFVUKSGVCSC-KPKJPENVSA-N", "SMILES:COc1cc(OC)c(/C=C2\\Cc3ccc(O)cc3C2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOOPTAVXYRVDQ-NTUHNPAUSA-N", "SMILES:COc1cc(OC)c(OC)cc1/C=C1\\Cc2ccc(O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQUIIFKTGNCED-XYOKQWHBSA-N", "SMILES:O=C1/C(=C/c2ccccc2Br)Cc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBGLPFPSBAJRHO-WUXMJOGZSA-N", "SMILES:O=C1/C(=C/c2cccc(Br)c2)Cc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBCPDSPOFQHSR-KPKJPENVSA-N", "SMILES:O=C1/C(=C/c2ccc(Br)cc2)Cc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLLQGVXARYAWOL-VZUCSPMQSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Cc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJYAYBAWLTYQK-KPKJPENVSA-N", "SMILES:O=C1/C(=C/c2ccc(F)cc2)Cc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEIDHEYNBLULIU-NTUHNPAUSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RROSMFJBEQZCDW-OQLLNIDSSA-N", "SMILES:CCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJMQQBBFGXKAER-OVCLIPMQSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(OC(C)C)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWMUKYCFNKHIK-GZTJUZNOSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(N4CCCCC4)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVQINGBIQLEIMK-MHWRWJLKSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(N4CCCC4)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIIWABDJIQMXHU-MHWRWJLKSA-N", "SMILES:CCN(CC)c1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHUGHUFISDYLY-HKOYGPOVSA-N", "SMILES:C=CCCCCN(CCCCC=C)c1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJEIZEQNHMRCSJ-LDADJPATSA-N", "SMILES:C=CCCCCNc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRVQSVWJOPUNMI-WEMUVCOSSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(N(CCC(C)CCCC(C)C)CCC(C)CCCC(C)C)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBQYZIQTJMIOV-HYARGMPZSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(NCCC(C)CCCC(C)C)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLQKMTQHBWMMKL-HMZBKAONSA-N", "SMILES:C=CCCCCCCCCN(CCCCCCCCC=C)c1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPOIWGEKRJCFA-CJLVFECKSA-N", "SMILES:C=CCCCCCCCCNc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIGIEFACTZTCSS-FMIFUCRQSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(N(CCCCCCCCCCCCO)CCCCCCCCCCCCO)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLPVOMIVWDFBE-HKOYGPOVSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(NCCCCCCCCCCCCO)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHLBNYSZXLDEJQ-QPWGPPCNSA-N", "SMILES:CCCCCCCCCCC[C@@H](CC1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEBZGPBCBNEBI-LBPRGKRZSA-N", "SMILES:N[C@@H](CCn1cc(-c2ccccn2)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFKMAWOFGZHFK-ZDUSSCGKSA-N", "SMILES:N[C@@H](CCn1cc(-c2cccnc2)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4250492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHKVNIKWXCMHW-ZDUSSCGKSA-N", "SMILES:N[C@@H](CCn1cc(-c2ccncc2)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHDQDHAFJKHQHC-VIFPVBQESA-N", "SMILES:N[C@@H](CCn1ccnn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRQWUPREWHYOE-JTQLQIEISA-N", "SMILES:Cc1cn(CC[C@H](N)Cc2cc(F)c(F)cc2F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDHBNPVLNBSVNE-NSHDSACASA-N", "SMILES:CC(C)(C)c1cn(CC[C@H](N)Cc2cc(F)c(F)cc2F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXYDAFFVGFOKEJ-LLVKDONJSA-N", "SMILES:N[C@@H](Cc1cn(-c2cccnc2)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBPIYQPGZAYGK-LLVKDONJSA-N", "SMILES:N[C@@H](Cc1cn(-c2ccncc2)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBUBOGWKWFQSF-CYBMUJFWSA-N", "SMILES:N[C@@H](Cc1cn(-c2cccc3ncccc23)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHNRZAQPIHXOTE-CQSZACIVSA-N", "SMILES:N[C@@H](Cc1cn(-c2ccc3ncccc3c2)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNATQWIBDYCIR-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(Br)cc1"]}
{"name": "Falcilysin", "xref": ["CHEMBL.TARGET:CHEMBL4295876"], "id": "UniProtKB:Q76NL8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYJFPMOGUUKEB-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCVNQDHCLQFSOV-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFYTKAGHGFUPN-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJJJUFPJCDKBX-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(C(=O)c2cccc3ccccc23)CCN1S(=O)(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMQLLWADULNEF-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(C(=O)c2ccc3ccccc3c2)CCN1S(=O)(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEXZERRUFZIHRL-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(Cc2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTISXCFBVIWYKE-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYLJFIYJRLSNNS-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(Cc2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOIRVUMCQCUTB-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKEIYXGCGBOQQW-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOICUHRPJQLZOB-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDSXUECQDPVCOQ-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLURACFLXLIHL-UHFFFAOYSA-N", "SMILES:CNC(=O)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1cccc(-c2cccnc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKBXPQRACETSY-FOCLMDBBSA-N", "SMILES:CNC(=O)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1cccc(/C=C/c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNPWWDDQFNFWQK-UHFFFAOYSA-N", "SMILES:CNC(=O)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1cccc(-c2ccc(C(=O)c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNCZJCSSFQKLX-UHFFFAOYSA-N", "SMILES:CNC(=O)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1cccc(CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTORDAALSEXOP-OUKQBFOZSA-N", "SMILES:COC(=O)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJQNSNYGIVJFQ-UHFFFAOYSA-N", "SMILES:CNC(=O)C1CN(S(=O)(=O)c2cccc(Br)c2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFMEABEATUNSQ-UHFFFAOYSA-N", "SMILES:CNC(=O)C1CN(S(=O)(=O)c2ccc(I)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUBNDCMJQJVBT-UHFFFAOYSA-N", "SMILES:CNC(=O)C1CN(S(=O)(=O)c2ccc(-c3cccnc3OC)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRWFNSGBYKEBCK-VAWYXSNFSA-N", "SMILES:O=C(NO)C1CN(S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZKCJASXXBTAC-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCCCC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOKGOMRMWTIOE-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCCC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHPKDXRZHPUWCX-PEAOBZDDSA-N", "SMILES:O=C(N[C@H](C/C=C/c1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNCFRCPCOXINS-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCCCCC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKWLXAKFBPFTBX-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCCCCCC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSFVEBGUPIMNP-OAHLLOKOSA-N", "SMILES:O=C(O)CNc1nc(N2CC[C@@H](O)C2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSFVEBGUPIMNP-HNNXBMFYSA-N", "SMILES:O=C(O)CNc1nc(N2CC[C@H](O)C2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEDBAJDLXMUXPQ-UHFFFAOYSA-N", "SMILES:COC1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEDBAJDLXMUXPQ-MRXNPFEDSA-N", "SMILES:CO[C@@H]1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEDBAJDLXMUXPQ-INIZCTEOSA-N", "SMILES:CO[C@H]1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUWETXSHNWRJB-QGZVFWFLSA-N", "SMILES:CCO[C@@H]1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUWETXSHNWRJB-KRWDZBQOSA-N", "SMILES:CCO[C@H]1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYKZLIZYKZERD-AWEZNQCLSA-N", "SMILES:O=C(O)CNc1nc(N2CC[C@H](F)C2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEUOPROXCYVEW-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCC3(C2)OCCO3)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMPGVFGPSANLX-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCJUTGLRKPBJR-UHFFFAOYSA-N", "SMILES:CC1CCCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVYZBNJHTTZXFY-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCC(O)CC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPUKKELABOBEMV-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCCC(O)C2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUOGGPUWOLXIOC-UHFFFAOYSA-N", "SMILES:COC1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFINIKCNCEIJB-UHFFFAOYSA-N", "SMILES:COC1CCCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFINIKCNCEIJB-KRWDZBQOSA-N", "SMILES:CO[C@H]1CCCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFINIKCNCEIJB-QGZVFWFLSA-N", "SMILES:CO[C@@H]1CCCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWCWQBJSNXHFLP-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCC3(CC2)OCCO3)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFUPUUKDMGLJED-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCCC3(C2)OCCO3)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYUAWPBTRGKECD-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCC(CO)CC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKGJYGIVFMWBO-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2C3CCC2CC(O)C3)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFZCZTIQCVKBNJ-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCC(=O)CC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSEJSYOPOIPGRC-UHFFFAOYSA-N", "SMILES:N#CC1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVQAICZUDNHFPW-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCC(C(F)(F)F)CC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRMGTOOAAOONC-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNMFCGQKXDPFB-UHFFFAOYSA-N", "SMILES:CC1(O)CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSREXWLZVZEFP-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CC=CCC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBCPHWDQPPSWQP-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCNCC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHOTVTMGBGOITG-UHFFFAOYSA-N", "SMILES:CC1CN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJZICDIVBHJTIX-UHFFFAOYSA-N", "SMILES:CC1CN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBXVQEJWDHFBBW-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCNC(=O)C2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPEHUFLCBVHWLG-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCOCC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHFMXLXRPNXRRS-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CCSCC2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJBUDRDWMHMFF-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CC3(COC3)C2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBSXEWMIAHEMW-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CC3(CCC3)C2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOROVHBHFQSRDY-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(N2CC3(COC3)C2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBOJMXPLDWXODC-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CC3(COC3)C2)sc1C(=O)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNXMDUNKEKOPLF-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(N2CC3(COC3)C2)sc1C(=O)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXVUCVMGRTPRM-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)c2sc(N3CC4(COC4)C3)nc2NCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSGJDBAWAUUMC-AIBLZPBVSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAZSPTYLUTEDZ-ORYMTKCHSA-N", "SMILES:CCOC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWWOKYIKNEEHJ-NKFKGCMQSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)/N=C2/C=C(SCC(=O)O)C(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTOZAQIUILLDJ-OAHLLOKOSA-N", "SMILES:O=C(N[C@@H](COP(=O)(O)O)Cc1cccc(F)c1)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMBNMWWQJFWLEY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2occc2C)c(F)cc1N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLFGTPTGVETJG-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3occc3C)c(F)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEJUCQKMQKIDEO-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)CC3(CCCC3)CC2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUIDYRSHCCOPQ-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3ccc(Cl)cc3C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKLJSDSDRYJRNX-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGWPCYVXOCEXPK-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3cccc(F)c3C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWEQJHFNBIAMTO-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)Cc3ccccc3C2=O)c(F)cc1NC(=O)c1occc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZARBULPVMPNGB-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)c3ccc(Cl)cc3C2=O)c(F)cc1NC(=O)c1occc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGXWAHSPYKIIOF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N(c1cc(C)c(NC(=O)c3occc3C)cc1F)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSSTGDHZQHXBN-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)c3cccc(Cl)c3C2=O)c(F)cc1NC(=O)c1occc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHPLJCWMWLVNAD-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)c3cccc(F)c3C2=O)c(F)cc1NC(=O)c1occc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDPGXFCCOLEURD-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1occc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJGZNLKSSJQQJ-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3ccccc3C2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHYRNNUKSKXFBG-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3ccccc3C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQOAYJJXKVBVJA-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)c3ccccc3C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWJRPULGJFKTR-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)c3ccccc3C2=O)c(C)cc1NC(=O)c1occc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODWPRNVQRZRNOH-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)c3ccccc3C2=O)c(F)cc1NC(=O)c1occc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMKCGXINVQJFF-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)Nc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXAOEVFPRRRJBW-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccc(Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEVWBOTTXZZNF-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MALZZUSCDPMFGK-UHFFFAOYSA-N", "SMILES:CC1(C)C2C(=O)N(c3ccc(NC(=O)c4ccccn4)cc3)C(=O)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KERICXHRAYQWFC-CXLNXTHGSA-N", "SMILES:CC(=O)OC[C@H]1OC(OCCCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OCCCN2CCOCC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIWRQYXUIHZFGY-MVQSBWCGSA-N", "SMILES:CC(=O)OC[C@H]1OC(OCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OCCCN2CCOCC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIABASDENMQOBC-GAVKJZHTSA-N", "SMILES:CC(=O)OC[C@H]1OC(OCCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OCCCN2CCOCC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLTNIVIPRNLONZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Nc2ccnc3ccc(-c4ccc(C#N)nc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORROJWQVTQOZES-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Nc2c(Cl)cnc3ccc(Br)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVXKGSOVPKMURO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Nc2c(Cl)cnc3ccc(-c4ccc(C#N)nc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZADHIGHKUYCQX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Nc2c(Cl)c(C)nc3ccc(-c4cnc(C(C)(C)O)nc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLAULVFKVZCMI-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ncc(-c2ccc3ncc(Cl)c(NCc4ccccc4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFACESJCRDGXRJ-OAHLLOKOSA-N", "SMILES:C[C@@H](Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFACESJCRDGXRJ-HNNXBMFYSA-N", "SMILES:C[C@H](Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXWJHVVESOPPE-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXWJHVVESOPPE-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYECHCQRUDNDTI-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVUMCSCDEUYWOB-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCELQBVHISIVJG-UHFFFAOYSA-N", "SMILES:CCC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SILTZDMWDNFMPQ-UHFFFAOYSA-N", "SMILES:CC(C)C(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYZRRTANWFIKNF-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLKZPRFZJOVYEX-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDITUDLVMBLPB-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1cc(C#N)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTDKJYWNVKKUJD-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1cc(N)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDBAXPLWHOAJIG-GOSISDBHSA-N", "SMILES:C[C@@H](Nc1ccnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1cc(N2CCCC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTPFGQAQERVHJG-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1cc(N2CCCC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYKKBDJHMGACL-MRXNPFEDSA-N", "SMILES:C[C@@H](Nc1c(Cl)cnc2ccc(-c3ccc(C(C)(C)O)cc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIYVSAQBQHHFU-CQSZACIVSA-N", "SMILES:CCOc1ncc(-c2ccc3ncc(Cl)c(N[C@H](C)c4ccccc4F)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHKTYUJPHIPSK-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1c(Cl)cnc2ccc(-c3ccc(S(C)(=O)=O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPAUVOWBCWKNRC-MRXNPFEDSA-N", "SMILES:C[C@@H](Nc1c(Cl)cnc2ccc(-c3cnc(N4CCS(=O)(=O)CC4)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNVRMJOZNVVGO-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)c(Cl)c12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMMYWEARBAWKEM-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2cc(Cl)c(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQRGNGAYLNKGRB-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2c(Cl)cc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSXCDATTKJUPC-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2cc(F)c(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPYYKZIZHQUEJJ-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2c(F)cc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGVFDTLFVROGOH-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)nc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICBHKKQDLXKXRF-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2cnc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOPNWNJCNKYZFO-UHFFFAOYSA-N", "SMILES:CC(Nc1c(Cl)cnc2ncc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDLNDXDUOBMZIQ-GFCCVEGCSA-N", "SMILES:Cc1nc2cc(F)c(-c3cnc(C(C)(C)O)nc3)nc2c(N[C@H](C)c2cc(C#N)ccc2F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZGFWGNCSYUEPR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Cn2c(C(O)c3ccncc3)nc3ccc(-c4cnn(C)c4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSGOXEMKTHBXKE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Nc2c(Cl)cnc3ccc(-c4cnc(C(C)(C)O)nc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQSQJEHUENMAJY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Nc2c(C)cnc3ccc(-c4cnc(C(C)(C)O)nc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKFYPWRWQOXRK-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1c(Cl)cnc2ccc(-c3cnc(N4CCN(CC(=O)O)CC4)nc3)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNDWXOXAEYRGHB-VEQUCWRQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]cnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIBZKKUCMHDXLN-DQNSRKNCSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFWXPCYJPWAGBA-VEQUCWRQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]cnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGWXZOWVDGHDH-VEQUCWRQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]1[C@@H]2O)O[C@H]3n1cnc2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPURENHRWNQND-VEQUCWRQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZHUTMZVMLXPTI-VEQUCWRQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]cnc54)O[C@@H]3COP(=O)(O)O[C@@H]1[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWXURFVMUYWBSO-PAZWPAGHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1ccn([C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@@H]2[C@@H]3O)O[C@H]4n2cnc3c(=O)[nH]cnc32)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLSNYICWGRGGY-HOYXZVQQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@@H]2[C@@H]3O)O[C@H]4n2ccc(=O)[nH]c2=O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRRJIIMPWGOAJZ-PAZWPAGHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1ccn([C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDIBUUCKKDASOL-VEQUCWRQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]1[C@@H]2O)O[C@H]3n1cnc2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQUEYKZHSTICF-DQNSRKNCSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@@H]2[C@@H]3O)O[C@H]4n2cnc3c(=O)[nH]cnc32)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYWRKYOFIWITA-PAZWPAGHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1ccn([C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@@H]2[C@@H]3O)O[C@H]4n2cnc3c(=O)[nH]cnc32)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHJRTIUQQZIKPW-VEQUCWRQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSKFIHCDGOOFJU-XDODWTFASA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@H]3[C@H]2O)O[C@H]4n2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAUIIERZOYKMMW-HOYXZVQQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(=O)[nH]c5=O)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COENXTQWBNRTQX-JDAGFAPUSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](N5C=CC(N)NC5=O)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APNRNFVXBCITMZ-PAZWPAGHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1ccn([C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFHCEHMGGCBYNU-PAZWPAGHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1ccn([C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3040513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRFTXWUCZQCHM-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZBBSCITDWHHOR-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(N(C)c3nc(C)nc4c3CCC4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORIRKONYVCNIG-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)c2nc(C)nc3c2CCC3)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDBCEMKQVRYTRG-UHFFFAOYSA-N", "SMILES:COc1cccc2c(N(C)c3nc(C)nc4c3CCC4)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGCTULGTHQSNH-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(N(C)c3ncnc4c3CCC4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRTCLFKTPZMDBI-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(N(C)c3nc(N)nc4c3CCC4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKAQCQLRDJKBSJ-GHMZBOCLSA-N", "SMILES:C=C1C(=O)O[C@@H]2CCCn3cccc3[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKDFJGBMTHRPTF-FGZHOGPDSA-N", "SMILES:Cc1ncccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEGJBUBKJSSWNZ-NHCUHLMSSA-N", "SMILES:COc1ncccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWXSZBNADPSOU-WOJBJXKFSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1cccnc1N)[C@@H]1CCc2c(F)cc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBKMVZZQIDEZCH-NHCUHLMSSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1cccnc1)[C@@H]1CCc2c(F)cc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQCXDMAMBRFIA-NHCUHLMSSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1cccnc1)[C@@H]1CCc2c(F)cc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJVZWZAQXWIKKN-SPLOXXLWSA-N", "SMILES:C[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccccc1N)[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQVGHLPISEKIW-SPLOXXLWSA-N", "SMILES:C[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccccc1O)[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLDDOCXDTRTKDS-FGZHOGPDSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(F)cc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYHUHIAITPIDLZ-FGZHOGPDSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(F)cc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVVPWCIGYQGTPQ-FGZHOGPDSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBFUMMXKDINGC-FGZHOGPDSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEAZXOGFOMJAE-FGZHOGPDSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJLHYYAPUWUMX-FGZHOGPDSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWINCCOXBCZASU-TZIWHRDSSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBABMNGTOUFRFD-NHCUHLMSSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVVLSCKLLIQBRK-FGZHOGPDSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTIKKFXLQACAD-DHIUTWEWSA-N", "SMILES:NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFQRFEAYDFPJMW-DYESRHJHSA-N", "SMILES:C[C@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSERDLPZFXTFNG-OPAMFIHVSA-N", "SMILES:Cc1c(F)cc(F)cc1[C@@H](C)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNMBIXVTRMYDZ-SPLOXXLWSA-N", "SMILES:C[C@H](c1cc(F)cc(F)c1F)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWGRPQNDCZGSD-SPLOXXLWSA-N", "SMILES:C[C@H](c1cc(F)c(F)c(F)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNXPFEMWLZLAHM-QVKFZJNVSA-N", "SMILES:C[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBLWECQKYCCTF-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cc3ccccc3o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUOFCMNVAUGMR-UHFFFAOYSA-N", "SMILES:CN1CCN(CC2Cc3cc(Cl)ccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJTZVUWUVANKY-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc3c(c2)CC(CN2CCNCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIFCIGSTSPLMT-UHFFFAOYSA-N", "SMILES:CN1CCN(CC2Cc3cc(-c4ccccc4)ccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWQBPKMHRPQDPJ-UHFFFAOYSA-N", "SMILES:C=CCN1CCN(CC2Cc3cc(OC)ccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDNBVJPZFOCFP-UHFFFAOYSA-N", "SMILES:C=CCN1CCN(CC2Cc3cc(C(C)(C)C)ccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBRIRKLUFVZTEF-UHFFFAOYSA-N", "SMILES:C=CCN1CCN(CC2Cc3cc(-c4ccccc4)ccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSARQPUYOMNEIJ-UHFFFAOYSA-N", "SMILES:C=CCN1CCN(CC2Cc3ccccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQHLGYDRGBOQK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(CN1CCN(C)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJQKOPBWWWUEIU-UHFFFAOYSA-N", "SMILES:CN1CCN(CC2Cc3cc(C(C)(C)C)ccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIWSUQWIOVGRH-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2nc3ccc(Cl)cc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSMCYUMPIGJKHV-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL340211", "category": ["biolink:ChemicalEntity"], "name": "AZAPERONE", "xref": ["InChIKey:XTKDAFGWCDAMPY-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1"], "synonym": ["Azaperone", "Azaperone", "Azaperona", "Azaperone for veterinary use", "NSC-170976", "R 1929", "R-1929", "Azaperone", "Azaperone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHVQGHMBHYXHGF-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCCCN2CCN(c3ccc(Cl)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXKZBMGRCYCKSV-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KERODJLVCVZLOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CCCCc3ccc(F)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSIXCCTQMDZPL-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc(CCCCN2CCN(c3cccc(-c4ccccc4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWJNFUQGOYUQT-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCCN(c2ccccn2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGNSDMVYWRLTG-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSCSQTYTJMMEQ-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(F)cc2CC1CCN1CCCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVMUAKCKCUJBKV-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)CC(CCN1CCCN(c3ccccn3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFBJNOEPLDTAT-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(F)cc2CC1CCN1CCCN(c2ccc(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUSPVTWVRDALHT-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(F)cc2CC1CCN1CCCN(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBSKELQKAHWLX-UHFFFAOYSA-N", "SMILES:O=C(CCCN1C2CCC1CN(c1ccc(Cl)cn1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZKLDRWYUXOVJK-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCN(c2cccnc2)CC1)c1ccc(F)cc1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAVQKONBNVLSBI-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCCCN2CCN(c3ccc(-c4ccccc4)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMDOIQGPLNKPIO-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCCCN2C3CCC2CN(c2ccc(Cl)cn2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADSTKUIYGICJB-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCCCN2CCN(c3cccnc3)CC2)cc1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCTBDIFYNUDLEZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCCCN2CCN(c3ccncc3)CC2)cc1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLBWZJHRARWDB-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBHCAPYMPYPRE-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCC1CCN(Cc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFLQQJOCKLGZJZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCC1CCN(Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWQNIVETLIDSE-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBLMNZBAOCBKEM-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCC1CCN(Cc2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWHKDPJXRQPRD-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCC1CCN(Cc2c(F)cccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSGNEFSJBPCDX-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCC1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBGOHKNDGDEIAS-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCC1CCN(Cc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSOYUGFFFZGBY-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCC1CCN(Cc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPKLPPFDSUXDBQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCC1CCN(Cc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDYZHRXBKZMOG-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCC1CCN(Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWWSWOHOMIZEMH-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCUGNCQJDCCMLE-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRZIXWIYJRVTCK-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPWCCRYWGDWPY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISZQUZMYIHDHR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CCN(Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQTYKFVTMYTFSQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CCN(Cc2cccc(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANMKYQQTXRMJO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CCN(Cc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRJNAPGINGOASF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYMGNZXLVKIMZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CCN(Cc2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUXOMBAFKYZLK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CCN(Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCIHMTSJSNPXID-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRPWHGXEZKOGPD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHVUYEGRTAWUQS-OFGZATQWSA-N", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)COC(=O)C[C@H]4[C@@H]3C[C@H]3O[C@]32C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLCUNKXGAWRJFG-HYQRNEQHSA-N", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)COC(=O)C[C@H]4[C@@H]3C[C@@H](Br)[C@@]2(Br)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTYSLNCKWDVQGF-HIASJUPCSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(O)CC(=O)CC[C@]34C)[C@@H]1CC(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXXACHBGOYTSEA-HYQRNEQHSA-N", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)COC(=O)C[C@H]4[C@@H]3C[C@@H](O)[C@@]2(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJRJJHHSMXOAJB-HYQRNEQHSA-N", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)COC(=O)C[C@H]4[C@@H]3C[C@@H](O)[C@@]2(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738815", "category": ["biolink:ChemicalEntity"], "name": "PENTACHLOROPSEUDILIN", "xref": ["InChIKey:FBRLLYYPGGXCKT-UHFFFAOYSA-N", "SMILES:Oc1c(Cl)cc(Cl)cc1-c1[nH]c(Cl)c(Cl)c1Cl"], "chembl_natural_product": true}
{"name": "Myosin light chain kinase 2, skeletal/cardiac muscle", "xref": ["CHEMBL.TARGET:CHEMBL4739674"], "id": "UniProtKB:P07313", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235156", "category": ["biolink:ChemicalEntity"], "name": "PENTABROMOPSEUDILIN", "xref": ["InChIKey:LXMNWKJHYOZUQL-UHFFFAOYSA-N", "SMILES:Oc1c(Br)cc(Br)cc1-c1[nH]c(Br)c(Br)c1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4638928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYGJVDTHPROFS-INIZCTEOSA-N", "SMILES:CC(C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4779271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTGHLXXQTLGQSL-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cn(Cc3cccc(-c4ccccc4C(=O)O)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQYQRUIWMRCTN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Nc1ccc(-c2cn(Cc3cc(C(=O)O)cc(-c4ccccc4C(=O)O)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKEZQWSBEZDZJX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cn2cc(-c3ccc(NCc4ccccc4)cc3)nn2)cc(-c2ccccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFWXSQVCLEENE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cn(Cc3cc(C(=O)O)cc(-c4ccccc4C(=O)O)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPTIGACYEFARBE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2cn(Cc3cc(C(=O)O)cc(-c4ccccc4C(=O)O)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUVGKJVFMIEKG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cn2cc(-c3cccnc3)nn2)cc(-c2ccccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKUAVZZUDRQCMQ-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cn(Cc3cc(C(=O)O)cc(-c4ccccc4C(=O)O)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGEQWRBIOVXZRG-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cn(Cc3cc(C(=O)O)cc(-c4ccc(C(=O)O)cc4)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBQJXILHBDHMAS-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cn(Cc3cc(C(=O)O)cc(-c4cccc(C(=O)O)c4)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYERRKSHYCRQRO-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cn(Cc3cc(C(=O)O)cc(-c4ccccc4C(=O)O)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTZWNHMTERKPIL-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(C(=O)c2cccc(-c3ccccc3C(=O)O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBVPXZZNHDKFLW-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(C(=O)c2cccc(-c3occc3C(=O)O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPUPYVRZUWCQB-UHFFFAOYSA-N", "SMILES:NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4764513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOKMWUBZHJSGM-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFFHWBABUYTONB-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccccc1OCCOc1ccccc1C1C(C#N)=C(N)n2c(=O)c3ccccc3c(=O)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382408", "category": ["biolink:ChemicalEntity"], "name": "PENTAGALLOYL GLUCOSE", "xref": ["InChIKey:QJYNZEYHSMRWBK-NIKIMHBISA-N", "SMILES:O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4746363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHHKOXGPDYCAKA-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Oc2ccccc2)c1)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZWNXMQPBPTKH-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWNUEKBQZBKRH-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTRPDIEHIKZKD-UHFFFAOYSA-N", "SMILES:ON=C(c1cccc(Oc2ccccc2)c1)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBFOOKQRZOHAE-HNNXBMFYSA-N", "SMILES:Cc1ccc(Oc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUOGMXGALZMDL-ONWDUGSVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAXWNSPHXJQNQ-HOROYWPZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVDUIYTVURYINE-JUGSKPSRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCC(=O)O)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVDUIYTVURYINE-XLLXTKHDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVLZCXLYRUVLSK-JRCMPEGESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURPQTDOPAORQH-ZWMDESPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJPGBVQAVKSWSH-GAIKOJSRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMBJZXOSIPCMEZ-GJFSDDNBSA-N", "SMILES:CCCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSSSDUBQLHYAHS-GNAFDRTKSA-N", "SMILES:CCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCKZZYXIGTZNC-VZYDHVRKSA-N", "SMILES:CCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSAUKYUNWAUBV-VZYDHVRKSA-N", "SMILES:Cl.OC[C@H]1CCCN1Cc1ccc(Oc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTJVWOOEOMVBH-VQIWEWKSSA-N", "SMILES:CCCCCc1ccc(C#Cc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MACOMDRYWVINFM-GJFSDDNBSA-N", "SMILES:CCCCc1ccc(C#Cc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBRDZXHTCFLFAJ-VQIWEWKSSA-N", "SMILES:CCCCCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMZEGKNZVSPOZ-ZMBIFBSDSA-N", "SMILES:Cc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNQQKRWVQKXZCO-VQIWEWKSSA-N", "SMILES:CCCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)c(C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDDRZEJOUFEQBN-ZMBIFBSDSA-N", "SMILES:CCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMWWBDAYWYCJFC-FSRHSHDFSA-N", "SMILES:CC(C)(C)c1ccc(Oc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTQHCJSYQMNCP-ZMBIFBSDSA-N", "SMILES:CCCCCCCCCCOc1ccc(CN2CCC[C@@H]2CO)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VREKMULDWBBNDO-VEIFNGETSA-N", "SMILES:CCCCCCCCCOc1ccc(CN2CCC[C@@H]2CO)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLDBNMYJUMAXDQ-TURZUDJPSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKPDAPDQHUTOH-NTISSMGPSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)c(C(F)(F)F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAGUXWEQBFUPB-FYZYNONXSA-N", "SMILES:CCCCCCCCc1ccc(-c2noc(C[C@@H]3CCCN3C(=N)N)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMXKPDOCSSMFZ-JIDHJSLPSA-N", "SMILES:CCCCCCCCOc1ccc(COc2ccc(-c3noc([C@@H]4CCCN4C(=N)N)n3)cc2C(F)(F)F)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWYFRUATVVXTP-FYJGNVAPSA-N", "SMILES:C/C(=N\\Nc1nc(-c2ccccc2)cs1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTMUGZXPEHLHLV-YBFXNURJSA-N", "SMILES:CCOC(=O)Cc1csc(N/N=C(\\C)c2cc3ccccc3o2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYLPZLTDWKOJX-MHWRWJLKSA-N", "SMILES:C/C(=N\\Nc1nc(C)cs1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDUCADLOUQKEC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3CCc4cc(Br)ccc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXPLCKGHBKBHU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3CNc4cc(Br)ccc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEECAJAYQBLODV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3CSc4cc(Br)ccc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRBVWMQVAPJFS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3CCc4ccccc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORCMMGNKCCRAI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3CCc4cc(-c5ccccc5)ccc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXXJVZPXBHHDMZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3CCc4cc(-c5cccnc5)ccc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWAZSAKNYREQX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3CCc4cc(-c5ccc(C(F)(F)F)nc5)ccc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXKMLUSPXDIGK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3CCc4cc(-c5cnc6ccccc6c5)ccc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHGJFDAAXZXGQQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3CCc4cc(-c5cnc(Cl)nc5)ccc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCYHGKHQORHAO-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)CCC1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=S)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQHVKFKUDILNHJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3CCc4cc(-c5ccn(C6CC6)n5)ccc4N3C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHBBZZXQLPAANU-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAUNSDIJZQGAPL-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGMRQIOSQKATFM-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc2c(c1)CCOC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLNPTAKQMRZREM-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHRABXIYMZUPBC-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1cnc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQDXUAKQOPCBS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3(CCC3)N(c3ccc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJZGLPLVBRZPEK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3(CCCC3)N(c3ccc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTMWQXLWTBMBDL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3(CCCCC3)N(c3ccc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPCILHIXOUHUDX-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(COC3)N(c3ccc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBMUSHVQLUBMEF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3(CCOC3)N(c3ccc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOANSXVYOFMAO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3(CCCOC3)N(c3ccc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESUTEVCZGNHMM-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCCC3)N(c3cnc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGBBMSNZZAIYSC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3(CCCC3)N(c3ccc4c(c3)CCOC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEGWHSLMLREOPE-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCOC3)N(c3ccc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQJQLFZJQVAFO-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCCC3)N(c3ccc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVFVSIITWAYIGC-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCCCC3)N(c3ccc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHGJBWQPICJEGB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)C3(CC3)N(c3ccc4c(c3)COC4=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUYXIYVXWUEKE-CRDBMLMKSA-N", "SMILES:O=C1C2=C(S[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O2)C(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4800518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGUHMLUWCXCIGQ-QMHRUXRISA-N", "SMILES:COC1=C(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBBVWOUKQASSBS-NLFYJDKNSA-N", "SMILES:COC1=C(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2c(O)c(C)c(C)c(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLAALLXNFGXRL-WUKNDPDISA-N", "SMILES:Cc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(COP(=O)(O)O)c(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQNDQZNYGKQGFY-JERVJHNASA-N", "SMILES:Cc1c(C)c(O)c2c(c1O)C(=O)C1=C(S[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCRLIXAPWLBGMA-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)cc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)cc2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWKFXBFRJPOBS-UHFFFAOYSA-N", "SMILES:COc1ncc(Oc2c(Cl)cc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)cc2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMSMTNCLDLGIKU-UHFFFAOYSA-N", "SMILES:COc1ncc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAGIYTOEYNTBEP-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)cc(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MERHBJSUPAQXHW-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C#N)cc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCKZJCVAIWQDH-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(F)cc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMBZMCCODMVJQN-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMVLMUJKLHOPNE-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOECKCYOBGEIRW-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)ccc(CNC(=O)C3CN(S(N)(=O)=O)C3)c2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXIPIDTVHPZJU-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)c2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFXOHCKDRXSKQS-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)ccc(C(=O)NCCC(N)=O)c2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRUKCXIJIREAL-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMPOQQGDALYSO-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)ccc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)c2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVWXBDOUCYCTIR-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)ccc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)c2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJTAWAVSFHPTTE-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3cnn(S(C)(=O)=O)c3)cc2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSQNWKUVCNRXBW-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPIGEOLECVWXHK-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3ccncc3)cc2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHVUEGSSPRDEC-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3ccccc3)cc2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJBUGSRJCVSLKC-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYWBCOOCIHGMS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWRBABXVNNZVTL-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2ncc3cccc(OCc4cn(Cc5c(Cl)cccc5Cl)nn4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVSNATJEWFQPOJ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Cn2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPGNFQKCRZPHJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQCHZGEEFBQCA-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHWMNCBJKLBCJQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(COc2cccc3cnc(Nc4cccc(Cl)c4)nc23)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHUYZVOSURLHEG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEJZIOAZHKCMG-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2ncc3cccc(OCc4cn(Cc5ccccc5)nn4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGZCBKDEIVQZCD-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2ncc3cccc(OCc4cn(-c5cc(Cl)cc(Cl)c5)nn4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGLFOQZMWGWTQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUVXUMCCVNFBX-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQXOTQQCEJWWLU-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2cc(-c3[nH]c(-c4ccccc4)nc3-c3cccc(O)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUCFFOWEMNEON-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFBHLMWZBEWRF-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNAMMCDYRDJZKY-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVYBISACBYOBIX-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAMMKLDMJDWIX-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPRXRFKWQHRWKM-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGQOMHSZYYWBBH-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZBNYRBDAUIENP-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUDXDBOPSYDEQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKFHZEDNIPMBAS-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCNc2cc(-c3[nH]c(-c4ccccc4)nc3-c3cccc(O)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNHMZDNPGFIFNP-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LASVVCGTXPGRDG-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNWWOGVBWJBJOC-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKUWTKEILCEEC-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJJXPTAUOLWZKQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKHJLULBHUMFNE-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUQXDRVLISPJC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2cc(-c3[nH]c(-c4ccccc4)nc3-c3cccc(OC)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUVQVCRNRBRMN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOVDXPSHWMOCEU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3cccc(F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOLZAUQJGYSFT-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3c(Cl)cccc3Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDYAXMLFVKKSG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3cccc(Cl)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVBVTLSGIJKYED-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(F)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCVKHHGFWYXBRW-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(Br)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPONXCPFWXXIGE-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQXAOWCDQSNHGQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTTIFCWNATVCBG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCNc2cc(-c3[nH]c(-c4ccccc4)nc3-c3cccc(OC)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDOQKZKXHLJEQH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGNAFQPJJQSDPH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNS(=O)(=O)c3cccc(F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQQYINVMZQOSEL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNS(=O)(=O)c3ccc(F)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOYXSIQJXYEMI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNS(=O)(=O)c3ccc(Br)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIVWBKWLALSJBP-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNS(=O)(=O)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAENROKIPPSKSN-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAMAZZNMTSCMFN-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFVFXEWIFRHJKQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNS(=O)(=O)c3c(Cl)cccc3Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRPPIJCIAVYFE-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNS(=O)(=O)c3cccc(Cl)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBMORZAWAXAOAW-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDJFOKFNKIETA-YBFXNURJSA-N", "SMILES:COc1cc(C(=O)N/N=C/c2ccccc2OC(=O)N(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDDSQQFHSXNVQV-WOJGMQOQSA-N", "SMILES:CN(C)C(=O)Oc1ccccc1/C=N/NC(=O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WODIYJZQYSKRBS-WOJGMQOQSA-N", "SMILES:CN(C)C(=O)Oc1ccccc1/C=N/NC(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFFIVWDQCPCRL-UDWIEESQSA-N", "SMILES:COc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)N(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCWKCRHFZMYUQE-WOJGMQOQSA-N", "SMILES:CN(C)C(=O)Oc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PALIUEBDNXQUME-YBFXNURJSA-N", "SMILES:COc1cc(C(=O)N/N=C/c2ccc(OC(=O)N(C)C)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTAGZXJGIAQFI-YBFXNURJSA-N", "SMILES:COc1cc(/C=N/NC(=O)c2cccc(O)c2)ccc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXYAIYVEVLHLD-YBFXNURJSA-N", "SMILES:COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFTUBTVLWAKPN-RGVLZGJSSA-N", "SMILES:COc1cc(C(=O)N/N=C/c2ccc(OC(=O)N(C)C)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPHIAKYOZNUQW-CIAFOILYSA-N", "SMILES:COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)N(C)C)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACPURVIILGKNKV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKDFDSOORMDRIU-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCN(c3nc(NCCN4CCOCC4)nc(N4CCOCC4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRHBOXSWQEYSQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(S(=O)(=O)N2CCN(c3nc(NCCN4CCOCC4)nc(N4CCOCC4)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRXMIRZKAFQFR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1S(=O)(=O)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRBLYPDSMHXZBX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCN(c3nc(NCCN4CCOCC4)nc(N4CCOCC4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUFKOTTWBBDHMY-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)N2CCN(c3nc(NCCN4CCOCC4)nc(N4CCOCC4)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHKZPRWJLGCNK-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZZPKDXRPXEAF-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(O)cc1)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHFZMOXBGBVDEL-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(O)c1)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAKCLPVYMMQVEL-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1O)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPICQLHLRIESB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3nc(NCCN4CCOCC4)nc(N4CCOCC4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJJYDZBWLBPIPJ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3nc(NCCN4CCOCC4)nc(N4CCOCC4)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYIRORGYNWPXCA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJMWHSPFPSLRJK-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSAQWGCXOPTDP-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFVDTCYGIUACQX-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1Cl)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYWPBCOHUJYCOP-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQFVDLVGEBZNIH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(F)c1)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWWMWESALNZXAY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1F)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWWKYXIZAOUBP-FTGODIDHSA-N", "SMILES:CN(C)/C=N/c1nc(=O)n(C[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTVUYAHWWMVXBO-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(=O)[nH]s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHHBZXGORTQGZ-FTGODIDHSA-N", "SMILES:CN(C)/C=N/c1nc(OC[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)ns1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIVZTHPTKIBASV-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1nc(=O)n(CCOCP(=O)(O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYFEURMOQLLPV-IBGZPJMESA-N", "SMILES:CC(C)OP(=O)(CO[C@H](CO)Cn1sc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVDOUYDQSSEGZ-MOWOTRKXSA-N", "SMILES:O=C(/N=c1\\s[nH]c(=O)n1C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEXDRZZMRPKHI-CYBMUJFWSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINKHDMQKVIKNO-CQSZACIVSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)N(C)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSAMTMGGXFZPR-CQSZACIVSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)N(C)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSCSQHEJWUAOQ-MRXNPFEDSA-N", "SMILES:Cc1ccc(N(C)C(=O)c2cncn2[C@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYDJLLFNNKHPKK-GOSISDBHSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPVUJNOBOCRPNV-QGZVFWFLSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RROFHJSZMIIZHL-GOSISDBHSA-N", "SMILES:COc1ccc(N2CCN(C(=O)c3cncn3[C@H](C)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRVQGFKSRFYBMY-QGZVFWFLSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGFEBWQKLMZTN-MRXNPFEDSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)N1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSBXTYIMFCCMNK-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)N1CCOc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAAORWUXJGGFNI-CYBMUJFWSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMNUQRICSUODOH-CYBMUJFWSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUAJLHJXZFBXQM-CYBMUJFWSA-N", "SMILES:C[C@H](c1ccccc1)n1cncc1C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWQYOPGSRCHAIT-OAHLLOKOSA-N", "SMILES:Cc1ccc(NC(=O)c2cncn2[C@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZVIHWQWEQLMCA-CQSZACIVSA-N", "SMILES:COc1ccc(NC(=O)c2cncn2[C@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUWEMAJVNPMHO-GOSISDBHSA-N", "SMILES:COc1ccccc1N1CCN(C(=O)c2cncn2[C@H](C)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVSOSQXVSIDDOZ-UHFFFAOYSA-N", "SMILES:O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQRVPZVSEBCKMJ-UHFFFAOYSA-N", "SMILES:O=C(c1cncn1Cc1ccccc1)N1CCN(C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYFGBZPWLVCSH-UHFFFAOYSA-N", "SMILES:O=C(c1cncn1Cc1ccc(F)cc1)N1CCN(C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBUMDWCXRJHJOD-UHFFFAOYSA-N", "SMILES:O=C(c1cncn1Cc1ccccc1Cl)N1CCN(C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKYBSBCLLWVBB-UHFFFAOYSA-N", "SMILES:O=C(c1cncn1Cc1ccc(Cl)cc1Cl)N1CCN(C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUFXJBDIPVFGI-UHFFFAOYSA-N", "SMILES:O=C(c1cncn1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSMYYVGVXAOKM-UHFFFAOYSA-N", "SMILES:O=C(c1cncn1Cc1ccc(F)cc1F)N1CCN(C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXBHVALBXBIBAC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(c1ccccc1OC)Oc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMKBYDLOBBAKFN-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1Oc2ccccc2-c2cc(OCc3ccccc3)c(OCc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPJJFLQNSDWPH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C2C(c3ccccc3)=NOC23Cc2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZILVDQSEUOVSBZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C2C(c3ccc(F)cc3)=NOC23Cc2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRZPWLQURMUMV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C2C(c3ccc(Cl)cc3)=NOC23Cc2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMYQHRDDGZYMSH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NOC3(Cc4ccccc4C3=O)C2c2ccc(S(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMRXQYAXKOZGL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NOC3(Cc4ccccc4C3=O)C2c2ccc(S(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFUWPLGKAUIDT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NOC3(Cc4ccccc4C3=O)C2c2ccc(S(C)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQAZAVIOXCLDE-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NOC3(Cc4ccccc4C3=O)C2c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKXYVLEIYLCPW-PKNBQFBNSA-N", "SMILES:CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccco3)ccc2n1"]}
{"name": "TP53-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL2424509"], "id": "UniProtKB:Q12888", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLVCVWZSCRFAO-VQHVLOKHSA-N", "SMILES:Cc1cc(N(C)C)nc2ccc(NC(=O)/C=C/c3ccco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWQQZMOIXWVEI-CSKARUKUSA-N", "SMILES:Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3ccco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBUHKLKEVAEMGM-ZRDIBKRKSA-N", "SMILES:CCN(CC)c1cc(C)c2cc(N(C)C(=O)/C=C/c3ccco3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOBORHJXSMGPS-ZRDIBKRKSA-N", "SMILES:CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccccn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWWFJSEOMYYNW-FNORWQNLSA-N", "SMILES:Cc1cc2cc(NC(=O)/C=C/c3ccco3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMOPQXUTSHXPGZ-KYPHJKQUSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCONC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCONC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQQPTQVCYRYNF-KYPHJKQUSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCONC(=N)N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCONC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDEKCFKLTHGFJY-UNCTUWKVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCONC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVASYHYWDXXRFD-UNCTUWKVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCONC(=N)N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPLYSHEGWJXSB-OHSXHVKISA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCONC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNJPMSSJICPUQY-OHSXHVKISA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCONC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVPWVPTVOOCMV-UNCTUWKVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSMWAKCVUJEOHZ-HPUNYJORSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOQDSWCPJNRWBD-LJQANCHMSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBPNMUVFLXIRNQ-HXUWFJFHSA-N", "SMILES:CCc1cc(Nc2ncc(C(=O)NC)c(N[C@H](CO)c3ccccc3)n2)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRNMCVNQMQLRHM-LJQANCHMSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZIXRHJRLCGYPK-HXUWFJFHSA-N", "SMILES:CCNC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYJPFBCHYRZAJL-OAQYLSRUSA-N", "SMILES:CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGWDRMZKMTPOT-OAQYLSRUSA-N", "SMILES:CCCNC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIRPCUVQSUVBEK-GOSISDBHSA-N", "SMILES:CC1(C)OC(=O)c2ccc(Nc3ncc(C(N)=O)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTTPVLDIJOHTEV-GOSISDBHSA-N", "SMILES:CC1(C)OC(=O)c2ccc(Nc3ncc(C(=O)O)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMSWMZCIQWBHX-HXUWFJFHSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPIPGOLZSTISM-HXUWFJFHSA-N", "SMILES:Cc1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYZEICXBRZXFD-HXUWFJFHSA-N", "SMILES:CCc1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYASORGHMGXQV-OAQYLSRUSA-N", "SMILES:CC(C)c1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUUKVINJSRXQN-OAQYLSRUSA-N", "SMILES:CC(C)(C)c1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHLRQGPSAURBBL-OAQYLSRUSA-N", "SMILES:CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(C5CC5)no4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDKZFILRCQRGO-XMMPIXPASA-N", "SMILES:CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(-c5ccc(F)cc5)no4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIFRAZQXNNPZBV-HSZRJFAPSA-N", "SMILES:CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(-c5ccncc5)no4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSIMOSPDULMWPL-XMMPIXPASA-N", "SMILES:CN1CCC(c2noc(-c3cnc(Nc4ccc5c(c4)C(C)(C)OC5=O)nc3N[C@H](CO)c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVFYCRCCTDEQQD-XMMPIXPASA-N", "SMILES:CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(C56CCN(CC5)CC6)no4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTHDBWPUQXSBEE-HXUWFJFHSA-N", "SMILES:Cc1nnc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRINILBKXCVIMV-OAQYLSRUSA-N", "SMILES:CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(C5CC5)o4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYIMGKDYXEJDM-XMMPIXPASA-N", "SMILES:CN1CCC(c2nnc(-c3cnc(Nc4ccc5c(c4)C(C)(C)OC5=O)nc3N[C@H](CO)c3ccccc3)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTBMREIZHCLTPN-XMMPIXPASA-N", "SMILES:CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(C56CCN(CC5)CC6)o4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVSSNRBUPQUIEG-LJQANCHMSA-N", "SMILES:CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMXDWGJYPKMTRX-UHFFFAOYSA-N", "SMILES:OC1(c2cncs2)CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILQWZLPDBJRSTL-NZMAMLMHSA-N", "SMILES:CO[C@H]1COC[C@H]1N1CCN(c2cc3c(cnn3-c3cnn(C45CC(C4)C5)c3)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNAAPJIZOJMQB-BZPMOENQSA-N", "SMILES:COCC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN([C@]7(C)COC[C@@H]7O)CC6)cc54)cn3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNAAPJIZOJMQB-UJOVPGNRSA-N", "SMILES:[2H]C([2H])([2H])OCC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN([C@]7(C)COC[C@@H]7O)CC6)cc54)cn3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWNRNKYEHVWGDL-FOEWLNRSSA-N", "SMILES:Cc1cc2cnn(-c3cnn(C45CC(C4)C5)c3)c2cc1N1CCN([C@@H]2COC[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARZRVTYNXYNKIE-JUZABBTASA-N", "SMILES:C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)CC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVCSUCYWRLPJI-RMTZWNOUSA-N", "SMILES:Cc1ccc([C@@H](c2ccccc2)C2CCN(C(=O)N3CC[C@@H]4OCC(=O)N[C@@H]4C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOIHDNIAHOPSAM-RTWAWAEBSA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(c4ccc(-c5ccc(Cl)cc5Cl)cc4)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFXKXGCFARKNBZ-CTNGQTDRSA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(c4ccc(-c5ccccc5OC(F)(F)F)cc4)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWHPJQRIDUDSRC-RTWAWAEBSA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(c4ccc(-c5ccccc5C(F)(F)F)cc4)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWQFOFKMYNYETJ-RTWAWAEBSA-N", "SMILES:N#Cc1cccc(Cl)c1-c1ccc(C2CN(C(=O)N3CC[C@@H]4OCC(=O)N[C@@H]4C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDNXJLGRMTSAH-MOPGFXCFSA-N", "SMILES:CC(C)(C)Cc1ccc(C2CN(C(=O)N3CC[C@@H]4OCC(=O)N[C@@H]4C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJGOGIYVTGUDJS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3ccc(N4CCn5cnc(C(F)(F)F)c5C4)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVRALLDQVUVCH-UHFFFAOYSA-N", "SMILES:CC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cnn(C)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURLPJWJAMNELP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGBWCBVTWAZQG-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPFZXGPYAKREV-UHFFFAOYSA-N", "SMILES:CC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cnn(Cc4cccnc4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJNDOUQAJRIKK-UHFFFAOYSA-N", "SMILES:CC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cc4cnccc4s3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPKZFISBRMPOE-QNGWXLTQSA-N", "SMILES:CCc1cc(-c2nnc(O)n2-c2ccc(CN3CCN(CC4CCN(C(=O)C[C@@H]5N=C(c6ccc(Cl)cc6)c6c(sc(C)c6C)-n6c(C)nnc65)CC4)CC3)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYODHXCWDOLBMM-KGLWNCEWSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(CN3CCN(Cc4ccc(-n5c(O)nnc5-c5ccc(O)cc5O)cc4)CC3)CC1)c1nnc(C)n1-2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDLZCHDIPWUHBQ-JFRIYMKVSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCN1CCC(Cc3ccc(-n4c(O)nnc4-c4cc(C(C)C)c(O)cc4O)cc3)CC1)c1nnc(C)n1-2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHDAVAJYMHGJC-KYYDUREMSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(CN3CCN(Cc4ccc(-n5c(O)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)CC1)c1nnc(C)n1-2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPSIZRSIPISAPH-LMDYQTDMSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCC(=O)NCC1CCN(C(=O)C3CCN(Cc4ccc(-n5c(O)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)CC1)c1nnc(C)n1-2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKCLODCLAKHBOU-KYYDUREMSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(CN3CCN(Cc4ccc(-n5c(O)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)CC1)c1nnc(C)n1-2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKELONAZLIJFJN-AHAZFEBDSA-N", "SMILES:CCc1cc(-c2nnc(O)n2-c2ccc(CN3CCC(C(=O)N4CCC(CNC(=O)C[C@@H]5N=C(c6ccc(Cl)cc6)c6c(sc(C)c6C)-n6c(C)nnc65)C4)CC3)cc2)c(O)cc1O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGGDLYKTIGDOGT-KYYDUREMSA-N", "SMILES:CCc1cc(-c2nnc(C(=O)NCC(F)(F)F)n2-c2ccc(CN3CCN(CC4CCN(C(=O)C[C@@H]5N=C(c6ccc(Cl)cc6)c6c(sc(C)c6C)-n6c(C)nnc65)CC4)CC3)cc2)c(O)cc1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMQRKSCCQNUNFS-LMDYQTDMSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(CCN3CCC(Cc4ccc(-n5c(O)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)CC1)c1nnc(C)n1-2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHAUIPIFMNSLGO-CDQPMMNHSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N[C@@H](C)c1ccc(CN3CCC(Cc4ccc(-n5c(O)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)cc1)c1nnc(C)n1-2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTGMQHUFEXIWGM-UHFFFAOYSA-N", "SMILES:CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVIMSGXYOORCPX-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXZLXNWROIKYDD-UHFFFAOYSA-N", "SMILES:CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQYLRFEASCKDA-UHFFFAOYSA-N", "SMILES:C=CCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKBNCHFXERWSCQ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXHHTBFTEXRKKB-UHFFFAOYSA-N", "SMILES:CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCEYGORQYPAXRP-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYPWBXZEBWGOHH-UHFFFAOYSA-N", "SMILES:CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYPRTXHJJCGCSW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRJRTCABKNRZQA-UHFFFAOYSA-N", "SMILES:CCCn1c(NC(=O)c2cc(CC)nn2CC)nc2cc(C(N)=O)cc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLKKZJRGGEXQU-CJCSIWGUSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C(\\F)CN2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABARBJMWBRVAMV-BCSIIMBDSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C(\\F)[C@H](CO)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCIKMFANKPCHDU-DHXFBEKFSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C(\\F)[C@H](COc2ccccn2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXHBYCRMGDXSBT-QOKSLOMDSA-N", "SMILES:COC[C@H]1/C(F)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCN21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITZZLIXTJEICD-AJSHRKLNSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C(\\F)[C@H](COCC(=O)O)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRUFOWQUXHPOK-ASABTHJVSA-N", "SMILES:COCCCOC[C@H]1/C(F)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCN21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDOGBWHAKBZVOG-XPKWCJPTSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C(\\F)[C@H](COCCCN2CCOCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEWGCPJPJBRCRQ-ZQZULIRTSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C(\\F)[C@H](CN2CCN3CCOC[C@@H]3C2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFNDQLGDXMYDNP-UYOXWRSBSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C(\\F)C(CO)(CO)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTYADJMYIQFZAF-SSIOXVOVSA-N", "SMILES:COCCOCC1(COCCOC)/C(F)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCN21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBYJIJPHYGZSK-HKAKYLBBSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(C(=O)NC3CCOC3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHTZNGLUOLBVJD-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(-n3nc(C)cc3C)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWPAUZGRCCDDS-VWNXMTODSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cnc3cccnc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZMSMSAVMLYQH-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccnc(N3CCOCC3)c2F)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBUCEVSQWHDZGD-VPUSJEBWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(-c3cccnc3)nc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXZUFPTRMFTBN-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cn(C)c3ccccc23)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEWJFMNQRDNQRG-UHSQPCAPSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3[nH]c4ccccc4c3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBZWOAYQVHEBM-YADHBBJMSA-N", "SMILES:CCOc1ncc(-c2cnc([C@H](CCCCCC(=O)CC)NC(=O)[C@H]3CC34CCN(C)CC4)[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOHSZYVCDRFBU-YADHBBJMSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccn3ncnc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASZVTDQFKPAJLA-YADHBBJMSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(C2=CC(=O)N(C)CC2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RELJJJHPPLUJSV-PKTZIBPZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(C)nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIENTSAPLQGLGF-RSXGOPAZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cnc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSZVSGYNQFTAQI-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cnc(-n3cc(C)cn3)nc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIFGGZXDOWFGD-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(Cl)ccc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUYZWOOBKPQSV-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(Cl)cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUNOZPWIEWXRCI-PKTZIBPZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cccnc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPLSOOZZGITXDX-FTJBHMTQSA-N", "SMILES:CCOC(=O)c1cc2cc(OC)c(-c3cnc([C@H](CCCCCC(=O)CC)NC(=O)[C@H]4CC45CCN(CC)CC5)[nH]3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOFXGVRUBPUUSI-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(F)ccc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVFFMPROFRJGV-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cccc(C(F)(F)F)c2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUAMBLROXOJUCR-VPUSJEBWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2c(F)cc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AECGLXAAHBEOEW-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLIBKESLXRYMGS-VPUSJEBWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBFIGDBLWWCBK-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C)ccc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCEYRAXLYFYSEZ-QPPBQGQZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(F)c(F)cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTWAHLUSZXHMHD-SXOMAYOGSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C(C)C)ccc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQQLJRQMBGCFT-GGAORHGYSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2c(F)cccc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQKPONBGXPIKR-HXLGALSQSA-N", "SMILES:CCOC(=O)C1CC1c1ccc(OC)c(-c2cnc([C@H](CCCCCC(=O)CC)NC(=O)[C@H]3CC34CCN(CC)CC4)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUMZPCNBJWULD-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc([N+](=O)[O-])ccc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQWFIIWFCIDPNV-VPUSJEBWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C(C)C)c(F)cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UATFOQLTQPSSIR-PKTZIBPZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(OC)nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCGHMBUQMAASLI-IRLDBZIGSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2c(OC)ccc(F)c2F)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSFRSCKOBBRJQG-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C(F)(F)F)ccc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTSTJLGPRPJJT-VWNXMTODSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cccc(F)c2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBVIXKUIQHYXKO-VWNXMTODSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cccc(Cl)c2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKZXUFHLBKPAD-VWNXMTODSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(F)cc(F)c2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWQTFGPBUYDLT-NOZRDPDXSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C(=O)OC)c(F)cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISVQQMGJRQPQB-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C#N)ccc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJVWHNPHYESEA-LZCZEWEUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(C2=CCC(C)N=C2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDSVVQTUHDXACG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCCC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHYECGQPXLHDS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJPTOYKVLIOJA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCCC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOEURIVQRFKTCR-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CCCN2C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRUPRGGKKPXEFL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CCCN2C(=O)CC(NC(N)=O)c2ccccc2Cl)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQRRDYGRPLJFJV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKJAZJQOTYNLIV-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CCCN2C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAGUEUVMJOVLSM-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1C1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWLKGKXLVRMNE-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXQSPGKLCSBHY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CCCN2C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFHSIBPDBWYHW-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CCCN2C(=O)Nc2ccccc2N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGLGMPXRECSCGU-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CCCN2C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTASMQCSBYBLF-UHFFFAOYSA-N", "SMILES:CCC1CCCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLAVMVALACYFER-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCCC1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNEKZJQIDGLYIA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCCC1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOFECGJXZGUEN-UHFFFAOYSA-N", "SMILES:Cl.O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCCC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUAOCUUNPFPRQK-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKGAPHGUUHDFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1N1CCOCC1)N1CCCC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICUFGVUFCCOMKH-UHFFFAOYSA-N", "SMILES:Cl.O=C(Nc1ccccc1N1CCOCC1)N1CCCC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMVOIACWSDYXHU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCCC1c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFHRUYQHYGCRH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCCC2c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYLGPPGMFUZUMZ-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCCC2c2ccncc2)CC(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLUOTSPMKYEJA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1N1CCS(=O)(=O)CC1)N1CCCC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIZPYNMSDWCCDJ-ONCBTAGJSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCN)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPEJVWKBLYRDOM-DBQPWCSESA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMUZDSKWTICVRY-MWOGZMQZSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHYVTWOVAGOKU-UXTPEBOCSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSWZAUVVVFHKT-DJXNDAQLSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKCPZWHYHRAZTR-FSXZJOHSSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNHKTAMCRXMDJ-ZKKPMHHGSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDZHZRHZBICBQ-NGBPWGJFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCGGKKUIQYTAS-DLCHSWNNSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCYBAXTBVSHLY-DLCHSWNNSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWVSDAOGBJRKCA-CIFQRKFTSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIHRTZHINQMRH-UXTPEBOCSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOVMDUIFYWEUKY-CIFQRKFTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEGMYHBIIUDAQM-MWOGZMQZSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHQAGGYGEFDLJM-WMRDIZQQSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDLECMICKWOPP-KAKJVXKTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUIVYOGEMRLUIY-CIFQRKFTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFHWZKKGMWJRK-BDMJUSPCSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGNUSTSCZPIZLE-ABXBZLCRSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGRQTONEROKGAK-DJXNDAQLSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFYDLACDZXSLN-UXTPEBOCSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJUBKKBRGQJBC-MWOGZMQZSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLBVNSFXKMILBD-DBQPWCSESA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVURPPPXUOQWMH-FSXZJOHSSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSWRGWDGMKUYMQ-ZKKPMHHGSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAKHBAHNYBDPSD-NGBPWGJFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQDOXNKLWZPOK-DLCHSWNNSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUFUXNJWSBAVDU-DLCHSWNNSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGPCQAAMHFJEK-CIFQRKFTSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTOANVDDVBYSBV-UXTPEBOCSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQCBTDDRHUDRG-CIFQRKFTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUHJRZXOSKINR-MWOGZMQZSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNAMMFJOBWAPCU-WMRDIZQQSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQBBORKIIPYJTI-KAKJVXKTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQIIWCKJGJEDFR-CIFQRKFTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHBPOEZTUXEMCP-BDMJUSPCSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVUUPLGJAFHBRZ-ABXBZLCRSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVRCQSYPVEFQP-XZWIXQEISA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKRVRIUJKRNPT-RCCMQYOBSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZPJFSKKVNUCCH-RJUZNBBISA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQYNJWYIDCSML-FQMYVANFSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WONJJWVBIAWJPD-DYYWXBNSSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVNAWGVRLSORCA-MYEOYBODSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJICSSPLWLDTNQ-UARHRXDBSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRRKUUDRCCLQT-UARHRXDBSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZWUWHVZDFDHBG-IYWYXTGQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJUAUQJGVOSPW-XZWIXQEISA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGDJWABJARGPAB-IYWYXTGQSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNKYCFWGXZAGF-RCCMQYOBSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKKXZBPZCIGSEB-IYWYXTGQSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNVRHRNHFDFPC-YFEDRNALSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVYDOAQNBCLFMB-FQKPEHTASA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVQOYFPSRKROEZ-IYWYXTGQSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJSJLBQXOUMHG-VLLJXJEOSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLSVMYEUBDFOF-HFMFDGBZSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWTGOKXFMDLOCZ-DJXNDAQLSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSMCQFJKQQJLKJ-UXTPEBOCSA-N", "SMILES:CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYJXMSXVGKWIL-MWOGZMQZSA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLKMMHRBGGXLNS-DBQPWCSESA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKTMHQVPZYSMGC-FSXZJOHSSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSQDQHGUQQPKQA-ZKKPMHHGSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUWTWASWGULHX-NGBPWGJFSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSAKEFJBJHJQHH-DLCHSWNNSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJLPYKMHLSWSNR-DLCHSWNNSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZZAXGADJNMBL-CIFQRKFTSA-N", "SMILES:CSCC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJOLCKEOVWBBZ-UXTPEBOCSA-N", "SMILES:CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCLZZWGYKTUAR-CIFQRKFTSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTNFDKFRARNRD-MWOGZMQZSA-N", "SMILES:CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGGMMCEEZIRNJ-WMRDIZQQSA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZPSPDHDDTMRY-KAKJVXKTSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWSGQOGAFQJOU-CIFQRKFTSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHZZLBNIJUIIKJ-BDMJUSPCSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AABQUJQHMSHCOD-ABXBZLCRSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXDGWLWUDVWGO-DRMPQPDHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJHJAARBLMTKBI-NGBPWGJFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJICASTUSZQCIA-JYUVRHGHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMCSTCSCAUYCG-YOXPQKCWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJJQZBOCFJSHGP-HRTOLKJESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IODXXDKABRNYGR-NGBPWGJFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIQCNWQWDRBJBS-JYUVRHGHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXQXHVWOHBMNRY-OFWPZXCBSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUPBPMHCJAZEO-ANVYOYFISA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVUHBXXKWBTKSB-XNRQVXKYSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJKKCHDUVOAOP-DLCHSWNNSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYVCSBHAFXNODF-IIHDQUSPSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRKQYYIJPRYBCV-MFUVQSLESA-N", "SMILES:CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRKQYYIJPRYBCV-KAMGWTHWSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLOPUNZULYGARB-QKQPYGHQSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKFGNSNNRLCGZ-SEONXUFESA-N", "SMILES:CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKFGNSNNRLCGZ-OFWPZXCBSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCLZZWGYKTUAR-UOINYUICSA-N", "SMILES:CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGGMMCEEZIRNJ-YHTAWZPWSA-N", "SMILES:CC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDZHZRHZBICBQ-VJTNPUNNSA-N", "SMILES:CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBPFLDZQOBQXBO-ZMCPSJPMSA-N", "SMILES:CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWOZZQKRNJWHSI-OUXCOFFLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJMZIVGZXSETAB-DLCHSWNNSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMIGKGSYRTUHQ-DMETYHBNSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NN(CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"name": "Proprotein convertase subtilisin/kexin type 6", "xref": ["CHEMBL.TARGET:CHEMBL2951"], "id": "UniProtKB:P29122", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proprotein convertase subtilisin/kexin type 5", "xref": ["CHEMBL.TARGET:CHEMBL2826"], "id": "UniProtKB:Q92824", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXYYZIIJIXVFW-UUOKFMHZSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEULRQISGVDABJ-WOUKDFQISA-N", "SMILES:CC(=O)NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOSTTZWIGTDEO-UUOKFMHZSA-N", "SMILES:Nc1ncnc2c1nc1n2[C@@H]2O[C@H](CO1)[C@@H](O)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYRYAHDNXANEG-QMWPFBOUSA-N", "SMILES:CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQGKLARJCHZHSS-QRIDJOKKSA-N", "SMILES:CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNRELUCFAQMFC-QRIDJOKKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMJPITNALDRNDY-XLSHYXGVSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2(F)F)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLMHAOGGJQDPLX-LKCKTBJASA-N", "SMILES:NC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGYRWWMWNACLSU-AEISUSGSSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZXCSIXUVOYDD-QRIDJOKKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2COC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRXWADQGRCOEH-FLNNQWSLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCF)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDUYFCEDCWAOL-FLNNQWSLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC(F)F)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEXAKFSPTGBXJQ-QRIDJOKKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCF)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVTKFFQBWQWZGT-FLNNQWSLSA-N", "SMILES:NC(=O)CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBUSYIRRSOOARF-BCEWXMHASA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC[C@H](O)CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYXIZIBYQPGCAB-QMWPFBOUSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPRWMVGQJGNLCO-OBPILZPTSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLIHKYNMUXZRL-XEMBYONJSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACROJLPBYRGLT-MKDNDLFSSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKUCFWFNBRIDC-KAUSPNNYSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NCC(F)F)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCDUXJFTLEDRY-RKQMVLKSSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NCC(F)F)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCLWEHDFACXKR-RUVJYUCVSA-N", "SMILES:CCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSSJNNPRYIYQE-RGUAOFKASA-N", "SMILES:CCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLINDUCBZWRWNA-VOXIZFLGSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC3CC3(F)F)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPVOBCNBQALCIM-IRYVQKNVSA-N", "SMILES:NC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVGSAMEUYJPIE-LCNRAPRPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NCCCF)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFAHNFBCMTXMV-RFXZSQAESA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NCCCF)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGMXIURLRAWSS-UMCMBGNQSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O"], "synonym": ["MRS-3310"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZFWXPXCTQFPQU-CYBMUJFWSA-N", "SMILES:C[C@H](CN1CCCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOGWQNKZBZCDFV-BXUZGUMPSA-N", "SMILES:C[C@H](CN1CCC[C@@H](OC(F)F)C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOGWQNKZBZCDFV-RISCZKNCSA-N", "SMILES:C[C@H](CN1CCC[C@H](OC(F)F)C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMBMYDOYIOFGC-LLVKDONJSA-N", "SMILES:C[C@H](CN1CCC(F)(F)CC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSCUKUKYRNPDM-LLVKDONJSA-N", "SMILES:C[C@H](CN1CCC(F)CC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBOXDPRCICCASY-CYBMUJFWSA-N", "SMILES:C[C@H](CN1CCCC(C)(C)C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3692665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTZFUFARAWDPGC-GFCCVEGCSA-N", "SMILES:C[C@H](CN1CCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNLEULNMMUQNN-SNVBAGLBSA-N", "SMILES:C[C@H](CN1CCC(F)(F)C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWSFWPXCPNWRZ-VXGBXAGGSA-N", "SMILES:C[C@H](CN1CCC[C@H]1C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWSFWPXCPNWRZ-NEPJUHHUSA-N", "SMILES:C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMQPKCXWHSWNP-UHFFFAOYSA-N", "SMILES:O=C(NC1(CN2CCCC2)CC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDTVFVVAFOPPR-UHFFFAOYSA-N", "SMILES:CC(C)(CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPAXDYNOSUVDDO-NSHDSACASA-N", "SMILES:C[C@@H](CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3692664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPAXDYNOSUVDDO-LLVKDONJSA-N", "SMILES:C[C@H](CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQMNPDPHHUNAN-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVKINPHWFZJRCN-CYBMUJFWSA-N", "SMILES:CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(-c2nc(C(F)(F)F)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPYXHWGQIFCGW-CYBMUJFWSA-N", "SMILES:CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3692671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMXFCVJIASWKMB-CYBMUJFWSA-N", "SMILES:CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEPSDDJIZYOME-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccsc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZYWUYIFDOVIY-UHFFFAOYSA-N", "SMILES:CCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWSIGQGDZIPEZ-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccc(Cl)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCOPXJUWALYDIJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRDKNOOIIXFIOE-MRXNPFEDSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRDKNOOIIXFIOE-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJSDDPZVKLGJLZ-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)C(F)(F)CCN2C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUOUFMZQWZOCBZ-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCN2C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSGHLPQROSHDID-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVROLNVHOHZDJN-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(Cl)cc1)c1cc2c(cn1)N(C(=O)c1cccc(Cl)c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANTQGOOFIFEKRJ-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccc(Cl)cc3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMXCKYAOCIFFA-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAQCLZLQHLGDMN-CYBMUJFWSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1(C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCFWONRNKZHNR-GFCCVEGCSA-N", "SMILES:COC(=O)N1CCCc2nc([C@@H](C)NC(=O)c3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQWTIJPESCJJV-CYBMUJFWSA-N", "SMILES:CCOC(=O)N1CCCc2nc([C@@H](C)NC(=O)c3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWIYHSKURJHFU-GFCCVEGCSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSZJAYFSSFCTIJ-CQSZACIVSA-N", "SMILES:COCCOC(=O)N1CCCc2nc([C@@H](C)NC(=O)c3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKVWIFOWYIPEN-CYBMUJFWSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDDBZXAAAUINB-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPCUKIKBPCMNX-CYBMUJFWSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZQWDBIWGNEVPY-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIAOIEZZDLIPRB-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCUHVXQQKRIFV-MRXNPFEDSA-N", "SMILES:Cc1cc(N2CCCc3nc([C@@H](C)NC(=O)c4ccc(F)cc4)ccc32)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGQFWVONZPNRS-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOLNRKBPYXMTC-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RENZLBNPFMPSLN-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVNUTLWMROKBOR-CQSZACIVSA-N", "SMILES:Cc1nccc(N2CCCc3nc([C@@H](C)NC(=O)c4ccc(F)cc4)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFIEPIJVSHHJT-CYBMUJFWSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1ccnc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWBTZBSSVNQLP-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1ccnc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWRVYZYTSJZDIR-ZROIWOOFSA-N", "SMILES:COc1cc(OC)c(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXBEXAMSVWNKU-UVTDQMKNSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDOHPUVDMRXQN-ODLFYWEKSA-N", "SMILES:COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1OCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVGGUAWOXMXGAY-STZFKDTASA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNUZJRYDHSNJPQ-PTNGSMBKSA-N", "SMILES:CCOc1cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDCKZUOGLOHLP-STZFKDTASA-N", "SMILES:COc1cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)ccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KANMHVYZXSCTMJ-VBKFSLOCSA-N", "SMILES:COc1ccc(OC)c(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLIJAGCYNHWIDA-UVTDQMKNSA-N", "SMILES:CCOc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHFXQAXOWUXJQA-QINSGFPZSA-N", "SMILES:COc1ccccc1C=C1C(=O)OC(C)(c2ccccc2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQBQQANMCSZTFD-ATVHPVEESA-N", "SMILES:CC(C)Oc1cccc(C=C2C(=O)OC(c3ccccc3)OC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBDRPPYAWZEODK-PTNGSMBKSA-N", "SMILES:CC1(c2ccccc2)OC(=O)C(=Cc2ccc(O)cc2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIRCTRDQRLZOGJ-UVTDQMKNSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMWZGKSAZKBDC-KAMYIIQDSA-N", "SMILES:COc1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSDIPGBKRLDOCU-GHXNOFRVSA-N", "SMILES:COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFUEASGZGBJEK-JYRVWZFOSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPADOCJHADTRTJ-JYRVWZFOSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTMCBNSQHSEPQG-UVTDQMKNSA-N", "SMILES:Cc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJKKLVKDSLDGMB-WQLSENKSSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXNRPUQVFJWHT-WQLSENKSSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSWOWPQBBHZSEM-WQLSENKSSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWGIRXWJLSEZCQ-YBEGLDIGSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)c(OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCWXBJHZNSXKK-UYRXBGFRSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJUAKFEEHTAJC-GDNBJRDFSA-N", "SMILES:Cc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)c(C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZZYRFYOBXYJD-GHXNOFRVSA-N", "SMILES:COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)c(Br)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFCAUCXNOWOWAB-GDNBJRDFSA-N", "SMILES:Cc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDZEAOZOUNQSK-ATVHPVEESA-N", "SMILES:CCc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(CC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UERPLKVSMDJNIZ-ATVHPVEESA-N", "SMILES:CC(C)(C)c1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVSFQRVVGQUSH-JYRVWZFOSA-N", "SMILES:COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZJOFGSWBDXXMV-ZHZULCJRSA-N", "SMILES:COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(Cc2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYLKQZQTQDNEDN-MOSHPQCFSA-N", "SMILES:COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(C(=O)OCc2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWOXPJCXGIDLNM-JYRVWZFOSA-N", "SMILES:CCOc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGOSUCBDSBBZEL-GHXNOFRVSA-N", "SMILES:COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1410976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZSQGFQTPSVAW-GHXNOFRVSA-N", "SMILES:COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBFFXDAHPSPHNG-JYRVWZFOSA-N", "SMILES:CCOc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPYPYFCCJXRXPM-WDZFZDKYSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(F)c(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVHZBFBOZBJDY-WDZFZDKYSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDBCIYJIDCIPC-WDZFZDKYSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHFORXPPIZHJJ-WDZFZDKYSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(I)c(O)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGIUJINBFPXWRQ-WQRHYEAKSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(Br)c(O)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOQUERWXCNDDJ-WQRHYEAKSA-N", "SMILES:O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(I)c(O)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURBOUZTAZWOLJ-GHXNOFRVSA-N", "SMILES:COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBIPXVOORRLVNY-WDZFZDKYSA-N", "SMILES:Nc1c(Br)cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGGMZDFGKWFRGQ-WDZFZDKYSA-N", "SMILES:Nc1c(I)cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZYTVDVLBBXDL-SECBINFHSA-N", "SMILES:NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4632578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLWGRRNXSDVBP-UHFFFAOYSA-H", "SMILES:Nc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)c2)cc(C(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491960", "category": ["biolink:ChemicalEntity"], "name": "CAMBINOL", "xref": ["InChIKey:RVNSQVIUFZVNAU-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=S)[nH]c(-c2ccccc2)c1Cc1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHUOXERIKQWIJE-UHFFFAOYSA-N", "SMILES:CCC(Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWIGYIFWXSKCSD-HKBQPEDESA-N", "SMILES:Cc1ccc2nc([C@H](CC3CCN(C(=O)C(C)C)CC3)N3C(=O)CN(c4ccc(Oc5ccc(F)cc5)cc4)C3=O)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFSVVQQYMRBBV-UMSFTDKQSA-N", "SMILES:COc1ccc(Oc2ccc(N3CC(=O)N([C@@H](CC4CCN(C(=O)C(C)C)CC4)c4nc5ccc(C)cc5n4C4CC4)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMWCWELPQYBEFV-HKBQPEDESA-N", "SMILES:COc1ccc(Oc2ccc(N3CC(=O)N([C@@H](CC4CCN(C(=O)C(C)C)CC4)c4nc5ccc(F)cc5n4C)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHREBQJKRLLGV-PMERELPUSA-N", "SMILES:CC(C)C(=O)N1CCC(C[C@@H](c2nc3ccc(F)cc3n2C)N2C(=O)CN(c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDOXPBRLGNIIBT-XIFFEERXSA-N", "SMILES:Cc1ccc2nc([C@H](CC3CCN(C(=O)C(C)C)CC3)N3C(=O)CN(c4ccc(Oc5ccc(F)cc5)cc4)C3=O)n(C3CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJZBXXQVPZXIT-YTTGMZPUSA-N", "SMILES:CC(C)C(=O)N1CCC(C[C@@H](c2nc3ccc(F)cc3n2C2CC2)N2C(=O)CN(c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDOSDLMVJDFKU-YTTGMZPUSA-N", "SMILES:CC(C)C(=O)N1CCC(C[C@@H](c2nc3ccccc3n2C2CC2)N2C(=O)CN(c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZLMWDGGNDIIT-HNENSFHCSA-N", "SMILES:CC(C)/C(=C1/OC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLQQWDVOFNXMT-VHEBQXMUSA-N", "SMILES:CC(C)/C(=C1\\NC(=O)OC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJXAVNBFKSWDBP-HNENSFHCSA-N", "SMILES:CC(C)/C(=C1/SC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPIIYDCZTOWQRS-VXPUYCOJSA-N", "SMILES:CC(C)/C(=C1\\C(=O)NC(=O)N1C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAKJWCXUJSSAFG-RBUKOAKNSA-N", "SMILES:CC(C)[C@@H](c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)[C@H]1OC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAKJWCXUJSSAFG-OALUTQOASA-N", "SMILES:CC(C)[C@@H](c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)[C@@H]1OC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDABWUWFXFDEHQ-UHFFFAOYSA-N", "SMILES:CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C1NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXVFJOAEQVCXLP-UHFFFAOYSA-N", "SMILES:CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C1C(=O)NC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCGVKZNPNCFKII-UHFFFAOYSA-N", "SMILES:CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C1SC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHNDLRPPVVCJF-JAIQZWGSSA-N", "SMILES:CC(C)C(/C=C1\\OC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APGRDJVFQHCAOP-JXFKEZNVSA-N", "SMILES:CC(C)[C@H](C[C@@H]1OC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APGRDJVFQHCAOP-OXJNMPFZSA-N", "SMILES:CC(C)[C@H](C[C@H]1OC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOOYTASCMSTFZ-JAIQZWGSSA-N", "SMILES:CC(C)C(/C=C1\\NC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSUCTUAXJUZLT-UHFFFAOYSA-N", "SMILES:CC(C)C(CC1NC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPAFBLVUURBLK-MTJSOVHGSA-N", "SMILES:CC(C)C(/C=C1/C(=O)NC(=O)N1C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFOJXYVINHAHZ-UHFFFAOYSA-N", "SMILES:CC(C)C(CC1C(=O)NC(=O)N1C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHNGHGMKNMOEZ-JAIQZWGSSA-N", "SMILES:CC(C)C(/C=C1\\SC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWDAZJAHHBDEK-OXJNMPFZSA-N", "SMILES:CC(C)[C@H](C[C@H]1SC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWDAZJAHHBDEK-OXQOHEQNSA-N", "SMILES:CC(C)[C@@H](C[C@H]1SC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPRRFFFURVEAMU-GRSHGNNSSA-N", "SMILES:CC(C)C(/C=C1\\OC(=O)NC1=O)c1cc(Cl)c(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAMQYUOJFFKZOE-JAIQZWGSSA-N", "SMILES:Cc1cc(C(/C=C2\\OC(=O)NC2=O)C(C)C)c(=O)[nH]c1-c1ccc2cccc(F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSDITYLKILREC-BKUYFWCQSA-N", "SMILES:C/C(=C1/OC(=O)NC1=O)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMNVTLNNAKHYGL-XKZIYDEJSA-N", "SMILES:CCC(CC)C(/C=C1\\OC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWMIMVBHIQOKOK-JAIQZWGSSA-N", "SMILES:O=C1NC(=O)/C(=C/C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C2CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYSSCNBOCLQGF-XKZIYDEJSA-N", "SMILES:O=C1NC(=O)/C(=C/C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C2CCCC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHWDWIGTXQJCD-UCQKPKSFSA-N", "SMILES:O=C1NC(=O)/C(=C/C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C2CCCCC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLCNRKDDHBJBW-UCQKPKSFSA-N", "SMILES:O=C1NC(=O)/C(=C/C(c2ccccc2)c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTLDDDTNVLCOY-IWIPYMOSSA-N", "SMILES:O=C1NC(=O)/C(=C/C(Cc2ccccc2)c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUBJJLTCRWAEL-WQRHYEAKSA-N", "SMILES:CC(C)(/C=C1\\OC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTWGPMNHLVRSW-MOSHPQCFSA-N", "SMILES:CCC(/C=C1\\OC(=O)NC1=O)(CC)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPBZJGGRNXCFLE-WQRHYEAKSA-N", "SMILES:O=C1NC(=O)/C(=C/C2(c3ccc(-c4ccc5cccc(F)c5c4)[nH]c3=O)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJJZTVYMDJOJH-MOSHPQCFSA-N", "SMILES:O=C1NC(=O)/C(=C/C2(c3ccc(-c4ccc5cccc(F)c5c4)[nH]c3=O)CCCC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDKHOVMEVXKGZ-NDENLUEZSA-N", "SMILES:CCC(/C=C1\\OC(=O)NC1=O)(CC)c1ccc(-c2ccc3cc(F)cc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOFSTYSXXLUFW-NDENLUEZSA-N", "SMILES:CCC(/C=C1\\OC(=O)NC1=O)(CC)c1ccc(-c2ccc3c(F)cc(F)cc3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RARDFVAVOTXECL-JCMHNJIXSA-N", "SMILES:CCc1cccc2ccc(-c3ccc(C(/C=C4\\OC(=O)NC4=O)(CC)CC)c(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWTPSCYETOKWDN-HAHDFKILSA-N", "SMILES:CCC(/C=C1\\OC(=O)NC1=O)(CC)c1ccc(-c2ccc3cccc(C(C)C)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJZKJQVXZHAGH-MOSHPQCFSA-N", "SMILES:CCC(/C=C1\\OC(=O)NC1=O)(CC)c1ccc(-c2ccc3cccc(C(F)(F)F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQLYGYFOVSPQDL-ZHZULCJRSA-N", "SMILES:CCC(/C=C1\\OC(=O)NC1=O)(CC)c1ccc(-c2ccc3c(c2)OC(C)(C)CC3)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGAOJCKLQFPTDI-ZHZULCJRSA-N", "SMILES:CCN1CCOc2ccc(-c3ccc(C(/C=C4\\OC(=O)NC4=O)(CC)CC)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGICHSCEUBYAPA-ODLFYWEKSA-N", "SMILES:CCn1ncc2c(F)cc(-c3ccc(C(/C=C4\\OC(=O)NC4=O)(CC)CC)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWLKXLVSDQZKJH-ODLFYWEKSA-N", "SMILES:CCn1ncc2cc(F)c(-c3ccc(C(/C=C4\\OC(=O)NC4=O)(CC)CC)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAHLJWVSNWFWKK-NDENLUEZSA-N", "SMILES:CCn1ncc2cc(C)c(-c3ccc(C(/C=C4\\OC(=O)NC4=O)(CC)CC)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOMAWPTCWCPBV-MOSHPQCFSA-N", "SMILES:CCn1nc(C)c2ccc(-c3ccc(C(/C=C4\\OC(=O)NC4=O)(CC)CC)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPYOBNGAHPVDOF-WQRHYEAKSA-N", "SMILES:CCn1ncc2c(F)c(-c3ccc(C(/C=C4\\OC(=O)NC4=O)(CC)CC)c(=O)[nH]3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHNDLRPPVVCJF-VBNMEBLOSA-N", "SMILES:CC(C)[C@H](/C=C1\\OC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHNDLRPPVVCJF-IWEBCOIVSA-N", "SMILES:CC(C)[C@@H](/C=C1\\OC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXIIWNGLFVWXHC-NSCUHMNNSA-N", "SMILES:Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(/C=C/CNS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHUOAFJWKGWBIG-CONSDPRKSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C(N)=O)N(c2cc(N3CCN(C(=O)c4cc(C)cc(C)c4)CC3)ncn2)C1"]}
{"name": "La-related protein 6", "xref": ["CHEMBL.TARGET:CHEMBL4739702"], "id": "UniProtKB:Q9BRS8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJOBCMTWIFWOC-UFYCRDLUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEDRJAYWKIOVIG-HJOGWXRNSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVYORFZETWKJB-FKBYEOEOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2cccnc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRIWCRQQORCRHU-HJOGWXRNSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(Br)c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REBJXIOWQZYKRW-HJOGWXRNSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(F)c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTCXUUETPOGFS-SDHOMARFSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTCMFIWWYOVQHW-SDHOMARFSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVMUJCKSEXQKPK-SFTDATJTSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRWZPZXKWLFIF-HSQYWUDLSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYFNEHNSQFPHN-VABKMULXSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLZCDDMGYGCAX-DTXPUJKBSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEOOYKCQOOEMEW-KCHLEUMXSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQTYAIDQWVICRK-KCHLEUMXSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAAKPYYXZFIUKN-PMACEKPBSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHATWUEMDAARD-SDHOMARFSA-N", "SMILES:CN(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYTUHUAFMZIKZ-GSDHBNRESA-N", "SMILES:CN(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSACEHMBPJSASV-TZYHBYERSA-N", "SMILES:C[C@@H](C(N)=O)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRAKMULSYETKD-SVBPBHIXSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)NCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHERGTMEDBPBSO-UIOOFZCWSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGXWUSMHARTGNE-UIOOFZCWSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1ccccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGFBTWOTIGEGF-UIOOFZCWSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAYZTIQRXOAYIX-KYJUHHDHSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKQKLGPPWSTRG-DZFPSEJVSA-N", "SMILES:CC1(C)CN2C(CS/C(=N\\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)NC3CCCCC3)=CSC2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKWJXZINZIHCF-NHWJDKKBSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSUDWRRWZVFEB-UHFFFAOYSA-N", "SMILES:CC1(C)CN2C(CS/C(=N\\C3CCCCC3)NC3CCCCC3)=CSC2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRADHDPEWKPQU-KWQFAZJVSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(/NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYQSIEUYVCJQSZ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFZHTZTBBYBRD-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTBGLAAUSXAMMJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2ccc(OCc3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZXTWSXCFNMEK-UHFFFAOYSA-N", "SMILES:Cc1ccc2occ(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWMJGNGNARFWEL-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2ccc(Br)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYOEMAPXJVTGJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c(C(=O)NC3CCN(Cc4ccccc4)CC3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWALMABHEZMNIK-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2cc(Br)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYHRJRLKNXKQIL-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBQNFSEIPHGIR-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USQSMKRDPJTQEC-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTKEHICBPHHMG-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccc(OCc3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNSYUYWYEUNZER-UHFFFAOYSA-N", "SMILES:Cc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIZRHGSFXSOAV-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccc(Br)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXGMNMOZSBRAIU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c(C(=O)NCCC3CCN(Cc4ccccc4)CC3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKJBFMGHWWKLD-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2cc(Br)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKJHJNFROJLTD-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226545", "category": ["biolink:ChemicalEntity"], "name": "TRYPTOPHOL", "xref": ["InChIKey:MBBOMCVGYCRMEA-UHFFFAOYSA-N", "SMILES:OCCc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4778960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPDDZCWSSGLNJ-FUDKSRODSA-N", "SMILES:NC(=O)Cc1ccccc1CNC(=O)[C@@H]1CSSCC[C@H](N)CN[C@@H](Cc2ccc(O)cc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJJTWAFBWKFYRF-FKBYEOEOSA-N", "SMILES:NC(=O)Cc1ccccc1CNC(=O)[C@@H]1CSSCC[C@H](N)C(=O)N[C@@H](Cc2ccc(F)cc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNRQSGWJJMJKL-BVSLBCMMSA-N", "SMILES:NC(=O)Cc1ccccc1CNC(=O)[C@@H]1CSSCC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPOQRJZHCULELI-PMVMPFDFSA-N", "SMILES:N[C@H]1CCC(=O)NCC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXXQYOLAIXPCDN-PMVMPFDFSA-N", "SMILES:N[C@H]1CCNC(=O)CC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUJXIMWUJGTUEG-CLKUPZDLSA-N", "SMILES:N[C@H]1CC/C=C/CC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUJXIMWUJGTUEG-HEFVDKNTSA-N", "SMILES:N[C@H]1CC/C=C\\CC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQLKIXHAJNOYFQ-GMAHTHKFSA-N", "SMILES:O=C(O)Cc1ccccc1CNC(=O)[C@@H]1CSSCCCCN[C@@H](Cc2ccc(O)cc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHEAVDTVJWSJOW-BVSLBCMMSA-N", "SMILES:N[C@H]1CNC(=O)CC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHEAVDTVJWSJOW-NNWRFLSQSA-N", "SMILES:N[C@@H]1CNC(=O)CC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPOQRJZHCULELI-WWNPGLIZSA-N", "SMILES:N[C@@H]1CCC(=O)NCC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXXQYOLAIXPCDN-WWNPGLIZSA-N", "SMILES:N[C@@H]1CCNC(=O)CC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOHVVWSGFZOCU-VFRAUONQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREPDJDTHCTIBT-VFRAUONQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHUAZQQIMFDCLG-UAAZZGSWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXMPRYSFGIABNF-UHFFFAOYSA-N", "SMILES:Nc1cccc2cc[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLKCDXPKTXNIK-HZPIKELBSA-N", "SMILES:CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSXZCXLJXFHQJ-LNLSOMNWSA-N", "SMILES:CC(=O)NCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKQGWIYMDXHHO-LNLSOMNWSA-N", "SMILES:CCC(=O)NCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDRGGMFVAYCHSL-UFTMZEDQSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)CF)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBSVTJRCFWBYMP-VQIWEWKSSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)C(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIVKUZKVLQQAOQ-VQIWEWKSSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)C(F)(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTFRUYQUIDBPR-UFTMZEDQSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)CCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUKHNHCRQZFHAS-UFTMZEDQSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)CBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOAGCYKWPOLCJD-UFTMZEDQSA-N", "SMILES:NCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZXLCOSBLJYQO-UFTMZEDQSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)CO)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLSTFIYKFJAJW-HZPIKELBSA-N", "SMILES:C=CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFPDUPBPJJIEW-HZPIKELBSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)CCCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXFPZKULVKWTEP-HZPIKELBSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)CCBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVQPJVBXZVKTPT-LNLSOMNWSA-N", "SMILES:CC(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQYIVBPFRSPQR-LNLSOMNWSA-N", "SMILES:CC(C)(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIOVXGSDYPLCL-LNLSOMNWSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)C1CC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXPNBFJCPFDHGI-XXIQNXCHSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)C1CCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPFZDFKCMUCPDD-VNUFCWELSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)C1CCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSGKRWJAWAWMS-JSSVAETHSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)C1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQKXLZHFZACIL-RYWNGCACSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)CC1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQPQDSTSZKAMU-JSSVAETHSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCPBTFTMCYJIH-JSSVAETHSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)c1ccc(F)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKYCNEXILNNXES-RYWNGCACSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)Cc1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSUUVYCROXGVEE-GKEJWYBXSA-N", "SMILES:N/C(=N/C(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFSTLSOVTTZSF-LVWMUUFCSA-N", "SMILES:Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZWUAWCTNWSFZ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C)cc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBQFQARDYWAHE-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cn1c(-c2ccc(OC)cc2)cc2c(C)cc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJPVZIDWKSNHDB-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cn1c(-c2ccc(OC)cc2)nc2c(C)cc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNMROSTKBHDDS-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1nc2ccccc2n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPGWCHZBIGSMM-UHFFFAOYSA-N", "SMILES:C#CCN(C)C(=O)c1cc2cc(NC(C)=O)ccc2n1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJUWJNWGKQVUIF-UHFFFAOYSA-N", "SMILES:C#CCN(C)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2n1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOZCXHRQQDTSD-UHFFFAOYSA-N", "SMILES:C#CCN(C)C(=O)c1cc2cc(C)ccc2n1Cc1ccc(OC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHQGRICWUZKJJ-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1ccccc1)c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLUGICIWJUOHTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C(C)=O)c2cc(C)cc(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDPUIFGFBDHNM-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1ccc(OCCF)cc1)c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLJDTCWHZWQRG-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1ccc(OC(C)C)cc1)c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNSXLEDUJIUCDF-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOVCMCJYZFFPM-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CN(Cc1ccccc1)c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYQFSHZADKHEHR-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CN(Cc1ccc(OC)cc1)c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPVBAPTWOOGLM-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CN(Cc1ccc(OCc2ccccc2)cc1)c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWLRNBJYNVMTJ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1nc2ccccc2n1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHAWEKQYQADCL-UHFFFAOYSA-N", "SMILES:C#CCN(C)C(=O)c1nc2ccccc2n1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHYYOJENQTOBD-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CN(Cc1ccc(OCCF)cc1)c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLYPZSMXZCRCI-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CN(Cc1ccc(OC(C)C)cc1)c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPGUTCAYRSZWSF-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCNc1c2ccccc2nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYYIULNOUOGHA-UHFFFAOYSA-N", "SMILES:CCCOC(=O)CCCNc1c2ccccc2nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSAOBSWFKSKRET-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCNc1c2ccccc2nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQZGZLLETTVRRQ-UHFFFAOYSA-N", "SMILES:CCCOC(=O)CCNc1c2ccccc2nc2ccccc12"]}
{"name": "Arginase-1", "xref": ["CHEMBL.TARGET:CHEMBL1075060"], "id": "UniProtKB:Q2KJ64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486027", "category": ["biolink:ChemicalEntity"], "name": "METHYL PROTOCATECHUATE", "xref": ["InChIKey:CUFLZUDASVUNOE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4786405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPBDMIWPTFDFEU-UHFFFAOYSA-N", "SMILES:Oc1cccc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNQRNBDZQJCCN-UHFFFAOYSA-N", "SMILES:Oc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4753152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHUXRBROABJBC-UHFFFAOYSA-N", "SMILES:Nc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYGLFXKCBFGPC-UHFFFAOYSA-N", "SMILES:OCc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2009732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFMPSMITLLBENU-UHFFFAOYSA-N", "SMILES:NCc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4764741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJXHJFVHABRRK-UHFFFAOYSA-N", "SMILES:COc1cccc(NCc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLYTMABJBIZRQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLAGYLINOCIYAI-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJMBACOKSZZKOU-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(NCc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQRSIDLGEZTHEV-UHFFFAOYSA-N", "SMILES:Oc1ccc(NCc2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBFLZKCKRPENO-UHFFFAOYSA-N", "SMILES:Oc1cccc(NCc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOLQVOXQHFRJPR-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2ccc(O)c(O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234777", "category": ["biolink:ChemicalEntity"], "name": "NOR-NOHA", "xref": ["InChIKey:KOBHCUDVWOTEKO-VKHMYHEASA-N", "SMILES:N=C(NO)NCC[C@H](N)C(=O)O"], "synonym": ["N-hydroxy-nor-arginine", "N-hydroxy-nor-l-arginine", "N.omega.-hydroxy-nor-l-arginine", "Nor-noha", "J842.499C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4761488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJGPXXKEYHKIL-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNCCN2CCOCC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPRLULFPPKCICO-UHFFFAOYSA-N", "SMILES:NCCCNCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMHYBZSDARAHLP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(NCc1ccc(O)c(O)c1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYCHOOKQZDHHB-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNCCc2c[nH]cn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNBVCJQSORVBZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNCCc2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXUKLDAMMXOJQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNCc2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFXOFARHHTZLD-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCc2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSRRLAXFDISJJI-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUXYKBQKZNLQF-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNCc2cccc(Cl)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYZSYYMBSGGJH-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4597903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVYICSVLUGAJE-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNCc2ccc3c(c2)OCO3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXMMORUNJVZPK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)cc(NCc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOZBGARCAQUEX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NCc2ccc(O)c(O)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFKKMXCOJQIYAH-YFKPBYRVSA-N", "SMILES:N[C@@H](CCCCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENHRRVNRZBNNS-UHFFFAOYSA-N", "SMILES:Oc1cccc2cccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1998992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNVQLOKVMWBFR-UHFFFAOYSA-N", "SMILES:Sc1ccccc1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPRFNSGKUBFUBO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3c(N)c(C(N)=O)c4nc5ccccc5nc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCNDYGMHSHSKIW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3c(N)c(C(N)=O)c4nc5ccccc5nc43)cc2)n(-c2ccc3ncccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQULHQCNCFPICR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3c(N)c(C(N)=O)c4nc5ccc(NCCCN)cc5nc43)cc2)cc1"]}
{"name": "Erlin-2", "xref": ["CHEMBL.TARGET:CHEMBL4739672"], "id": "UniProtKB:O94905", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acylglycerol kinase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2417354"], "id": "UniProtKB:Q53H12", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glycerol kinase", "xref": ["CHEMBL.TARGET:CHEMBL2300"], "id": "UniProtKB:P32189", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPMCEOVLOMEQS-UHFFFAOYSA-N", "SMILES:CCn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O"]}
{"name": "Methionine--tRNA ligase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4739700"], "id": "UniProtKB:Q96GW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRMBFZCPSRTME-UHFFFAOYSA-N", "SMILES:CCn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3nc(F)ccc3[nH]2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIRUKGDOYEIKH-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2nc3nc(Cl)ccc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAALDXLDQOCVNA-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2nc3nc(F)ccc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOFRZBDSFGASJK-UHFFFAOYSA-N", "SMILES:CCCn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3nc(F)ccc3[nH]2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYREYRDYHMQKI-UHFFFAOYSA-N", "SMILES:CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRKXVCGXOJBBBY-UHFFFAOYSA-N", "SMILES:CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3nc(F)ccc3[nH]2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPIBCTLTVKAZLG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMDNEYEBUBFSW-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWDIJJGTHYFQEZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc3nc(Cc4nc5nc(F)ccc5[nH]4)cn23)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNGXMHCXLBWZKH-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(-c2cccc3nc(Cc4nc5nc(F)ccc5[nH]4)cn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGIUPJAOMXLRJ-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRKFJWMFXNJCLC-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJIQAJKYTFTXRM-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(C(N)=O)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEASPDPPXWCCBC-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(CCC(N)=O)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWMQEJLNUZKFOM-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(CC(=O)NC)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVUIAFDXDLTXGX-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc(CC(=O)NC)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYWEFCVBJNUOV-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc(CC(=O)N(C)C)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLIEJVMNNDBLN-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc(C(C(=O)NC)C(=O)NC)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INNROAIAYWDLLH-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(C(=O)NC)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4775990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNPXRSXMMRVQE-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(C(=O)N(C)C)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGGQROMVLUMDQ-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc(C(N)=O)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCEQHBDFBPUQRB-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc(C(=O)NC)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPJMRRJBNWRHL-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc(C(=O)N(C)C)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQPGYHHCYHGPC-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(NC(C)=O)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNXMENHIQZSNY-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(C(C)(C)C(N)=O)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQGLUJHMXCLQY-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(CC(N)=O)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNAPIWWSSSUJJA-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc(CC(N)=O)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYPKXMSUWSSBLA-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(CC(=O)N(C)C)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YADBEVDETDMGMF-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSQVIIFGZWBQIE-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc3c2NC(=O)C3)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTCXQSTPVRURZ-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc3c(c2)C(=O)N(C)CC3)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRXYVFRBVBUSFO-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2ccc3c(c2)CN(C)C(=O)C3)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVGEGLYPVSUGT-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(CC(C)=O)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGGNXKNJMSTMG-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(CS(C)(=O)=O)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWBNBEKPLPWSNC-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(CS(N)(=O)=O)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPCTMAEGHSABW-UHFFFAOYSA-N", "SMILES:C#Cc1nc(Nc2cccc(CS(=O)(=O)N(C)C)c2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLCQAXOQKFVGP-UHFFFAOYSA-N", "SMILES:CCc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVPBLNRTHSCHMF-UHFFFAOYSA-N", "SMILES:N#Cc1nc(Nc2ccccc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOVCENYRWWHPR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKOHXAJFGRZCL-LCYFTJDESA-N", "SMILES:C#CC(=O)Nc1ccc2c(c1)/C(=C/c1[nH]c(CC)nc1C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2079088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYFMZELGKHUTCS-UHFFFAOYSA-N", "SMILES:N=C(N)SCc1cccc2c1oc1c(CSC(=N)N)cccc12"]}
{"name": "Natural resistance-associated macrophage protein 2", "xref": ["CHEMBL.TARGET:CHEMBL1932895"], "id": "UniProtKB:P49281", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1348232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFVEJXUSTTZKD-UHFFFAOYSA-N", "SMILES:Cc1cc(O)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIGHKECBEKWSOP-UHFFFAOYSA-N", "SMILES:N=C(N)SCc1cccc(CSC(=N)N)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1197758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFHJACDFMAMNL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CSC(=N)N)c(C)c1CSC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPFRJGYRTKQJIK-SFHVURJKSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cnoc1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOJUOSHHRKIES-SFHVURJKSA-N", "SMILES:CON(C)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRMHROLSBMXIV-KRWDZBQOSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cnoc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANCXBFBQYGYHX-SFHVURJKSA-N", "SMILES:Cc1coc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFFGYQURGZOPP-SFHVURJKSA-N", "SMILES:N#CC1(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCIIVHHDKAWGAJ-SFHVURJKSA-N", "SMILES:O=CC1(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGHVVDLYCZTYNZ-IBGZPJMESA-N", "SMILES:O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnoc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEISBDMOLKTFDG-RHLNUJDMSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)NC/C=N/O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEIUVZVWLANUJJ-INIZCTEOSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIEOUSVKYUIHRE-KRWDZBQOSA-N", "SMILES:N#CC1(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTSJGBRRCQOXFA-ZDUSSCGKSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)C(=O)N(C)N(C)C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLWIGUUSSYUSI-ZDXCBNKRSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC[C@H](Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](CC3CCCCC3)NC(=O)c3ccno3)C3CCCCC3)nn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPWKKXCASCQESF-ZPEHWQGGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(C[C@H]2CN[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc3ccccc3)C(=O)N2)nn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOKSBQKEZDOZHE-GIWKVKTRSA-N", "SMILES:COCc1cn(CCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccno2)C2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLVWKPWBMZWWLZ-IOGSMCNXSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC[C@H](Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](CC3CCCCC3)NC(=O)c3ccno3)C3CCCCC3)nn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRPEFQPZGZOTL-KLGORFNCSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC[C@H](Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](CC3CCCCC3)NC(=O)c3ccno3)C3CCCCC3)nn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOVMLDLJSRSKDP-GZPNYNOCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCn1cc(COC)nn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMSXLTMSWGZJSI-YFSFSSGKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(C[C@H]2CN[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc3ccccc3)C(=O)N2)nn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWBFFUDEKLCDME-NVBBMTLKSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC[C@H](Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](CC3CCCCC3)NC(=O)c3ccno3)C3CCCCC3)nn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTPBYYPADDICAK-KHNNPNHYSA-N", "SMILES:COc1ccnc(NCCCOc2ccc(C[C@@H](CC(=O)O)NC(=O)c3ccc(OCc4cn(CCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](CC5CCCCC5)NC(=O)c5ccno5)C5CCCCC5)nn4)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOWZBQWLYJFXSG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2N=C(C(N)=O)c3ncn(-c4ccc(F)cc4)c3N2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNCGEODESYNCIN-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C2N=C(C(N)=O)c3ncn(-c4ccc(F)cc4)c3N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GREQUBMKQXGAHX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2N=C(C(N)=O)c3ncn(-c4ccc(N5CCN(C)CC5)c([N+](=O)[O-])c4)c3N2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLADPOSJKSYENK-UHFFFAOYSA-N", "SMILES:CCNc1nnc(SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGVUCHAQHUKNL-UHFFFAOYSA-N", "SMILES:COCCNc1nnc(SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNFWNCFOXSUXOX-UHFFFAOYSA-N", "SMILES:CCCNc1nnc(SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTEHNYNIMMZYMH-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nnc(SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKTMPPKQXZOFKK-UHFFFAOYSA-N", "SMILES:C=CCNc1nnc(SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUHIACIAUPZYLQ-UHFFFAOYSA-N", "SMILES:CCCCNc1nnc(SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWMXCSATVAOMH-UHFFFAOYSA-N", "SMILES:CC(C)CNc1nnc(SCC(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMLMEDVNURQAHX-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(Nc2ccccc2)s1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTKDEWZQDVLXCO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nnc(SCC(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccc(F)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMBBHHVUJAMCLQ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(F)c(N)cc2F)ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNQBSZMKYWMZEY-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cnc3[nH]ncc3c2)ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPHRUBKXWKGFQ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3[nH]ncc3c2)ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOCSNCVSEDLFDP-GXSJLCMTSA-N", "SMILES:Cc1nc2c(=O)n(C3CC3)c3c(Cl)c(N4CC[C@@H]([C@H](C)N)C4)c(F)cc3c2o1"]}
{"name": "Prosaposin", "xref": ["CHEMBL.TARGET:CHEMBL3580523"], "id": "UniProtKB:P07602", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274826", "category": ["biolink:ChemicalEntity"], "name": "ANDROSTENEDIONE", "xref": ["InChIKey:AEMFNILZOJDQLW-QAGGRKNESA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "synonym": ["Androstenedione", "NSC-9563"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL511367", "category": ["biolink:ChemicalEntity"], "name": "CYANIDIN CHLORIDE", "xref": ["InChIKey:COAWNPJQKJEHPG-UHFFFAOYSA-N", "SMILES:Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1.[Cl-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL590878", "category": ["biolink:ChemicalEntity"], "name": "DELPHINIDIN CHLORIDE", "xref": ["InChIKey:FFNDMZIBVDSQFI-UHFFFAOYSA-N", "SMILES:Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1.[Cl-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL125743", "category": ["biolink:ChemicalEntity"], "name": "GALLOCATECHIN", "xref": ["InChIKey:XMOCLSLCDHWDHP-SWLSCSKDSA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4789704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABNVFGQXCGFSFH-UHFFFAOYSA-N", "SMILES:Nc1cc2oc3cc(=O)c(-c4ccc(O)cc4O)cc-3nc2cc1-c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504937", "category": ["biolink:ChemicalEntity"], "name": "PROCYANIDIN B1", "xref": ["InChIKey:XFZJEEAOWLFHDH-UKWJTHFESA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL38714", "category": ["biolink:ChemicalEntity"], "name": "PROCYANIDIN B2", "xref": ["InChIKey:XFZJEEAOWLFHDH-NFJBMHMQSA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL66953", "category": ["biolink:ChemicalEntity"], "name": "PURPUROGALLIN", "xref": ["InChIKey:WDGFFVCWBZVLCE-UHFFFAOYSA-N", "SMILES:O=c1c(O)cccc2cc(O)c(O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4787961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKVNSOZHYKLQR-WSRSPSKNSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324842", "category": ["biolink:ChemicalEntity"], "name": "ROSMARINIC ACID", "xref": ["InChIKey:DOUMFZQKYFQNTF-WUTVXBCWSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL531", "category": ["biolink:ChemicalEntity"], "name": "PERGOLIDE", "xref": ["InChIKey:YEHCICAEULNIGD-MZMPZRCHSA-N", "SMILES:CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21"], "synonym": ["Pergolide", "Pergolide", "Pergolide", "Pergolida", "Pergolide", "Pergolide"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL258632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPOCVIRWKYNKLB-JMQWPVDRSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3cccc([N+](=O)[O-])c3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQLJGZXUZIUSH-JMQWPVDRSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3cccc(F)c3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZHDXKSOQKQWPH-KTQQPIDFSA-N", "SMILES:COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1550", "category": ["biolink:ChemicalEntity"], "name": "PHYTONADIONE", "xref": ["InChIKey:MBWXNTAXLNYFJB-NKFFZRIASA-N", "SMILES:CC1=C(C/C=C(\\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O"], "synonym": ["Phytomenadione", "Phytomenadione", "Phytomenadione", "Phytomenadione", "Phytonadione", "Phytomenadione", "Fitomenadiona", "Phytonadione", "Phylloquinone e-form", "Phytonadione", "Vitamin k1", "NSC-270681", "Aquamephyton", "Kanavit", "Konakion", "Konakion mm", "Konakion mm paed", "Mephyton", "Neokay", "Orakay", "Phytonadione", "Phytonadione component of vitaped", "Vitamin k 1", "Vitamin k1", "Phytonadione"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4748063", "category": ["biolink:ChemicalEntity"], "name": "EMRUSOLMIN", "xref": ["InChIKey:RCQIIBJSUWYYFU-UHFFFAOYSA-N", "SMILES:Brc1cccc(-c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c1"], "synonym": ["Emrusolmin", "Emrusolmine", "Emrusolmina", "Anle138b", "ANLE-138B"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDNUOWSRJTGEQ-FCODNRGNSA-N", "SMILES:O=P(O)(O)c1c2c(c(P(=O)(O)O)c3c1[C@H]1C[C@@H]3c3cc4c(cc31)[C@H]1C[C@@H]4c3ccccc31)[C@H]1C[C@@H]2c2cc3c(cc21)[C@H]1C[C@@H]3c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJWXYXFLQBNPU-BAXDHWKGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKLZIPCKUXKLPD-HZHIQQLESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSFCQXMHDBJIB-DRCCUPCESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGLYJKSNAAZFDF-NQWBRIFUSA-N", "SMILES:CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHDLKXPVLTVSRE-CGLBBQDUSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRYSKTULZNPGL-SPHRICAYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFVVKZVYVOPHMB-BOHPLBOKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKPQIWVOOXNICD-YQFZQPHGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWDVGVZCDUPRMY-UHFFFAOYSA-N", "SMILES:c1cnc(Nc2nnc(-c3cccc4ccccc34)o2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2430765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEOVTKAZJPJZPK-VOTSOKGWSA-N", "SMILES:COc1cc(/C=C/c2nnc(-c3ccco3)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2430662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYORSSQEOKIQTC-QHHAFSJGSA-N", "SMILES:Fc1ccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNDVDHYJXHIKM-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc(-c3ccc(OCCN4CCOCC4)cc3)nc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQUGDAJVVDHBAZ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Nc3ncccn3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXQBNZYCTHSRBT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ncccn3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRNALHTDPFFOH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(Nc3ncccn3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATWWELQJAHECW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(Nc3ncccn3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPPEZVKFXBNIC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nnc(Nc3ncccn3)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECIYRGCNLFBSR-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nnc(Nc3ncccn3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIIITDFMPLDPLP-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nnc(Nc3ncccn3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAMIRMVSSOIZND-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nnc(Nc3ncccn3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATVOXGIWOTVLC-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2nnc(Nc3ncccn3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKNQTZZBVZTRJ-UHFFFAOYSA-N", "SMILES:Brc1cccc(-c2nnc(Nc3ncccn3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHQPKFAWBLZQM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1-c1nnc(Nc2ncccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPNLMZWAKJGRB-KRWDZBQOSA-N", "SMILES:CNc1nc(Nc2ccc(-n3cnc(Cl)c3)c(OC)c2)nc2c1CC[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVMOVOEROCRIO-SFHVURJKSA-N", "SMILES:CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@H]2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKSAYBFUIEOBO-JLZFKDTQSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVRLVTBIIVXNGN-JLZFKDTQSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHOBMHRRKXZIQM-BSYVZCAJSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)c(Cl)c2)C(=O)N1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVUOUVVVXQNIRL-JTHVCAJSSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)c(Cl)c2)C(=O)N1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHUONAVEMSXKH-JTHVCAJSSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)c(Cl)c2)C(=O)N1C1CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPFMHROFZJODPQ-BSYVZCAJSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)c(Cl)c2)C(=O)N1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBQJYWVLJDOTGA-WQZDFCHPSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIKGHWBZHKDSE-XBHOCCDLSA-N", "SMILES:Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\\C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUCKRCPKUSCKK-SBXCSTAHSA-N", "SMILES:Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\\C1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWKVXNBUJGZQM-JLZFKDTQSA-N", "SMILES:COCC/N=C1\\S/C(=C\\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSOWDIRECVSDI-AWDJCAROSA-N", "SMILES:Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\\CCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWQNJADYDLCFTQ-JLZFKDTQSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)c(Br)c2)C(=O)N1c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGPVTBAMDVJHL-NQMSZFHHSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)c(C(F)(F)F)c2)C(=O)N1c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJOIZNZUJQYLN-WGZDZCCCSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)cn2)C(=O)N1c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAENPXJFOWTDQO-PQDITWEDSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)cc2)C(=O)N1c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSMQUILOGPIVIK-DPBNUBQISA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(O)c(C)c2)C(=O)N1c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZNIDEPMBGHFQK-PZUCIDFCSA-N", "SMILES:CCC/N=C1\\S/C(=C\\c2ccc(OC(C)=O)c(C)c2)C(=O)N1c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKEWOZGNPDOLSR-FEJFBVIRSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"name": "Prolactin-releasing peptide receptor", "xref": ["CHEMBL.TARGET:CHEMBL1681611"], "id": "UniProtKB:P49683", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCICTJVPFTEFT-IYTQQNEGSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRTZIOFANBIAW-CZTRVSNZSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAKOWOFORBBMRO-CGPQYYKRSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSDXKSNKMUTMK-KPQHRGOESA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLSCRVGUOMCKT-VEKPCFHGSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLNNLDKODVPLX-VPGWKEKMSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNZMDPLUGFNZSA-OPWNRWBESA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGHMOBQGCZRHO-BWFKDYRHSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWIQKPYEREBED-YZZKORDDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQFCKVPPBDGBEF-MQQKSQFKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZDXGDIYKDOSQY-DZKVJBEISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCJLUUHDCHERPR-POOFHORHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAQYGVZDZQYHB-MSWSZPDXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNKWVXSSPEOTE-GLSRBLSESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTEKYRWRVNVKNS-NFWPCFHMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTYRTLFYIEBSW-BAKIUPPASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTNRVWBROJZRU-MQQKSQFKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKMRWNTTZMXHI-XGBRBYEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)CSSC[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDFMYFJFSSHEKV-VQTQEVDUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJVWJVWHVYDJIZ-NIEFGHGQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXASXYWSFYMYRX-WKVUTWRHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAVTEFDXWVCCE-ISEHQYDZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CILVUOOQFLUJEP-XMJZAQSYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSSCNZPSTNWIJL-LMINYZSWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARCLHYOXGFPPGC-RGWHDWPHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIIPPRZOLHEDM-RXESJKARSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYWJEZMICCTIU-XMJZAQSYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OERHMJSLSABFTK-ZKQWGIRZSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNXVZRCANVLJNG-OTIAOHQTSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFKBUOEZRXXJC-IHMJGMBXSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUFWFYXQALIKPB-ZKQWGIRZSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLSKHTGQVJVVBU-DDTCSOQBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZMIJKCZWUOGS-CAJBVBEGSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPIGFSKZGPMZAL-VPIDZPJMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPUSXDWRCWUMJU-AIULPJJSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INANCCDESUXDGV-DDUGCVFOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYKKJGLIVTGPE-TVLCQNLISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSKGUXRUDKQPY-GYLSJIAWSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWOTUFTAWRKJZ-PLWVPSQCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLNCGECITFTQJJ-ZGAFKIMGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUWIYYHIIAMPHJ-ONBWKZNBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPUKHTYPDWLAT-IHKCAAGVSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWDPJIKWGQZCPV-BMMFRJTCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJXEOUTNRQKLW-XQNAHPBPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWUVWGYCYATPQ-JYGHTPQVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWLQKDAEFVHJIG-VCEWNIJHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXSGLQPERVGJMQ-JIUUMCGRSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKIUHMVUPOKDQC-BXVVFHCESA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVYVNSSASENPN-DDTCSOQBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZDHDCAZNLNMJ-IOAGPFFHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRPNJLPOLDVST-SHCDZEBCSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHXQJQLAGMCZNU-BCBPCKDJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVXQGWLBWPSBDA-KJPKZMDISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACXBHXDAKYDAL-SOPNVEKASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHWGSGOMHRTQAC-UPBXRCQVSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCDSYQDXLCTRIX-INBPEABMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMIHENUHYBYJN-WXFLAMCMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYATVMLCTFMJEP-FRMBUGDJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMEHEUDQYHBJHM-WDMLACRYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYSJVQRKVUDTDH-YMIACHLBSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOXAZPLAVGOYOT-KSQMHPOESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYEYSGHFZYJHJC-FJUYCZTDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPOQSALIAFCDC-YUWFRNNPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTIVAMOSORKXFR-JOEGEIOJSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCBLSIDUEMBVOX-RLTRTLAUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHBBOHLXYWVCF-WQEKKXSQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEXEPHKCMJIAK-CQGCRCTPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WILDOTSYPMZBDI-DHSNHCEASA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHKRNGLVWHGYSS-QQEAHNHNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTGCYFQUQLFDF-NIAKTNQTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHBTXFKUIFQOL-YLLHCLKSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEIRUWDVSDKDY-OBLONRKOSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZMODCLXKCJMKZ-WDMLACRYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXEHKJVZAJBCMB-UBHHIFFGSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHYXYSLFDCDLNX-LQJPFGHISA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVORSRXFFRJFHE-XBBCRCNSSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCOCCC(=O)NCCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUPXKWPLAASNME-MGHSYVOWSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYVFROWVJNFGTM-FEJFBVIRSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZTAVJOKOSATDT-GYLGDTDGSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDOLHKFDFJZHGI-PKPGZHONSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEOFZXKTLBPCSM-LOTVNLSASA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMBJEBLVIEORM-FEJFBVIRSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOCRNNJYZIJFNR-GYLGDTDGSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXYPKUGISBFOL-PKPGZHONSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPPYLUQXXFDMHQ-FPVWXNGRSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUYEADEHBHEPL-ZTLXAHTCSA-N", "SMILES:CC(=O)O[C@H]1CC2=C(/C=C\\C=C\\[C@@]3(C)C[C@H](c4ccoc4)OC(=O)[C@@H]13)C(=O)OC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL508583", "category": ["biolink:ChemicalEntity"], "name": "TRODUSQUEMINE", "xref": ["InChIKey:WUJVPODXELZABP-FWJXURDUSA-N", "SMILES:CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCNCCCN)CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O"], "synonym": ["Trodusquemine", "Trodusquemina", "Trodusquemine", "MSI-1436", "Trodusquemine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUZLOICQIHXRSW-UHFFFAOYSA-N", "SMILES:Cc1cccnc1CNC(=O)c1cnc(-c2ccco2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZOGJFVDQVTTBG-LBPRGKRZSA-N", "SMILES:Cc1cccnc1CNC(=O)c1c(N)nc(-c2ccco2)nc1OC[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALRYJLRCWEZLS-UHFFFAOYSA-N", "SMILES:Cc1cccnc1CNC(=O)c1c(N)nc(-c2ccco2)nc1OCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZALOVKMJUTVDD-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ncco2)nc(N)c1C(=O)NCc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGLGHDWHOPNEET-UHFFFAOYSA-N", "SMILES:COCc1cccc(Cn2cc(-c3cc(-c4ccco4)nc(N)n3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEYLNQMVKHFHRB-UHFFFAOYSA-N", "SMILES:COc1cccc2c(-c3cn(Cc4cccc(C(C)(C)O)n4)nn3)nc(N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFXDMEOJXUXNLH-UHFFFAOYSA-N", "SMILES:COc1cccc2c(-c3cn(Cc4cccc(C(C)(O)C(F)(F)F)[n+]4[O-])nn3)nc(N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRQPIUKWQQBAC-UHFFFAOYSA-N", "SMILES:COc1cccc2c(-c3cn(Cc4ccn(CC(C)(C)O)n4)nn3)nc(N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKIMWOZQJDQLQF-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWAHNQAQWOTDC-UHFFFAOYSA-N", "SMILES:COCCn1cc(C(=O)Nc2nc3c(OC)ncc(N4CCOCC4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CACIDNFBOFVBLU-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2nc(NC(=O)c3cccc(N4CCOCC4)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDMILZFFXFMHF-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccccc2)c2ncc(NC(=O)N3CCC(C)(O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMQVKMCNFREHQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2)c2ncc(NC(=O)N3CCC(C)(O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVRZSJMQKGITO-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1cc(N2CCN(CCn3c(=O)sc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCCLUSYHJXDEX-UHFFFAOYSA-N", "SMILES:C[S+]([O-])CCOc1cc(N2CCN(CCn3c(=O)sc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGGJAGXLGYJEI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnn(C)c2)c2nc(NC(=O)c3ccc(Cn4ccnc4)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYZTILMBRSITP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSLJSHJSFPBCAB-UHFFFAOYSA-N", "SMILES:Nc1nc(-n2cc(O)cn2)nc(-n2cccn2)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUSJSKZYRVYASR-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c(-c2ccc(O)c(Cl)c2)n2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXAWCKZPAXRRNE-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(-c2nnc3cncc(OCCC45C6C7C8C6C4C8C75)n23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVBCIJLYABLIRW-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODLDMAFDYHTWSE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJGITMOPYWSNC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ncnc3[nH]ccc23)ccc1CNC(=O)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMXUJQCTXEWMA-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ncnc3[nH]ccc23)ccc1CNC(=O)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOGHPMUJDSQML-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3ncnc4[nH]ccc34)cc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWPHAXOFCBWDRJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3ncnc4[nH]ccc34)cc2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZRKNXZROZTZPM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ncnc3[nH]ccc23)ccc1CNC(=O)c1cnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQVDZNIAPQVRQQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(N)ncn2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYGUNXGWVUJSR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(N)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKRTJPNWFLINI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3ccccc3)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBMMBJCQIZSOE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3ccccn3)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTGVTWPXKMJCQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3ccncc3)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSVEFILWKCRMU-UHFFFAOYSA-N", "SMILES:Cc1nnc(Nc2nccc(-c3ccc(CNC(=O)c4cnc(C(C)(C)C)s4)c(C)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKNNFMDVIQSKOW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3conc3C)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPNRAWQJWKZFQV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cn(C)nn3)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILRURZBRPBCUGK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3ccn(C)n3)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVOSJREZJCUSD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQNINIIWBBPWIR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1nnc(C(C)(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXWLSLXBFLASOB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)C1CCC(C(C)(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOXKTYDQFDMUQB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CCC(C(C)(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWWBAQUHFYAATO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(CC(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMWMKGNVAMXXCH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWTWEPWXCWEFD-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(-c2ncnc3[nH]ccc23)cc1)c1ccccc1"]}
{"name": "Cyclin-dependent kinase-like 2", "xref": ["CHEMBL.TARGET:CHEMBL5728"], "id": "UniProtKB:Q92772", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZJFZDQUKATKF-QBUCUUKESA-N", "SMILES:CC(=O)NC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREJVQOCIVTKID-CRLDETFASA-N", "SMILES:CC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUUOWCRCWDDUQR-RIBFXXNMSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKKSNPJEQEEFK-IISDOSNMSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTKIIILYWEZDX-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRXRCDCZKADEPR-UHFFFAOYSA-N", "SMILES:COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRBOTNFDXVHHT-UHFFFAOYSA-N", "SMILES:C=CCOC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISZZQXCPQRACKU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(Oc3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDKDSDZUDCKSM-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3-c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLSHRINKIHGEOO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3cccc(-c4ccccc4)c3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKUWNWQFRVYGH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccc(-c4ccccc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQRLHKYSZJBRMY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQUHJTKYAOJHDD-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYKDSRUMLFCCJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3Cl)(C(F)(F)F)C(F)(F)F)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKEFVRSHLPQXBX-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3OC(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXDNMIOVAAUQPF-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCGZXUITPFWUPQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLZLJRQIZGAKA-HKBQPEDESA-N", "SMILES:CC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHYFVRCRZKMOD-LJAQVGFWSA-N", "SMILES:CC(=O)N1CC(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMFZKMOYVWWES-JRPXNJEYSA-N", "SMILES:CC(=O)N1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMFZKMOYVWWES-DFXYEROKSA-N", "SMILES:CC(=O)N1CC[C@@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOEKGZIWKVJYER-YTTGMZPUSA-N", "SMILES:CC(=O)N1CCC(C)(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIPPDPCSZQXYFH-HKBQPEDESA-N", "SMILES:CC(=O)N1CCC(O)(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBOGWLTELXFIN-LJAQVGFWSA-N", "SMILES:O=C(C1CCOCC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVTXZSGXHMLEBX-NDEPHWFRSA-N", "SMILES:O=C(N1CCOCC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJPPPHATFNBTE-PMERELPUSA-N", "SMILES:CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJQIXZIPDHUXKU-HKBQPEDESA-N", "SMILES:CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4C#N)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQYYIADIMIOXNG-PMERELPUSA-N", "SMILES:O=C(O)C1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFZCOFNHRDYFJK-IHPVIADISA-N", "SMILES:O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCJFIFJTCQCOR-CYYCZYJVSA-N", "SMILES:O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCc4ccccc4OC(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3889628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDECFTZYQRFXHO-TZNXZYKKSA-N", "SMILES:Cc1cccc(C)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEIAAWBDOUMTLX-HYUGZUBYSA-N", "SMILES:Cc1cccc(F)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEIXEHKBGZSHD-IHPVIADISA-N", "SMILES:O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4Cl)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNNWKABZMXTXEL-YJRLZVGASA-N", "SMILES:COc1cccc(F)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKVYYJUUIUKCS-CZBREUMFSA-N", "SMILES:O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCC4CC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVXCWEQVRYRABX-SYZUXVNWSA-N", "SMILES:O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCC4CCC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKYVCCAKOPPGQ-ZRLASMASSA-N", "SMILES:O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCC4CCCC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNEQCJSAUMDARD-MKGJDZFWSA-N", "SMILES:O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCC4CCCCC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJQFBTHRWLTPCF-DEOSSOPVSA-N", "SMILES:CC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVYLZVBYDUMQY-DEOSSOPVSA-N", "SMILES:CC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGFLFKROQCMBLV-QHCPKHFHSA-N", "SMILES:CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AENFRJUKGBLCPJ-QHCPKHFHSA-N", "SMILES:CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOBYLQCEIUUKAR-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1ccccc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACIJZYJVVSRBT-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1ccccc1N(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQMBQFRNMNFFJ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1cccc(C)c1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHMRRFNHCTVGR-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1ccc(C)cc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXCQFZYPAWGNKP-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1cc(C)ccc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDHGXRJISWWQC-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(C)cccc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWUCHLNYVBLTG-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1cccc(F)c1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFRUTXNNYRSFEI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1ccc(F)cc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQDWWGOMQKVQN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1cc(F)ccc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAQILCGDLRRVOJ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1ccc(C3CC3)cc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDRCYHGETQCXHK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)NC(=O)Nc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJQYECUEHMEFQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)NC(=O)Nc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUCZNRQLDOKWFS-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3c(n2)-c2ccc(C)cc2NC(=O)N3)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBUZQXWVPVUGAI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCO)CC2)ccc1Nc1ncc2c(n1)-c1ccc(C)cc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEUMCRKFUPOKOM-IYBDPMFKSA-N", "SMILES:COc1cc(N2C[C@@H](C)N[C@@H](C)C2)ccc1Nc1ncc2c(n1)-c1ccc(C)cc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFUNTFJYIVHOJA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)cc(F)c1Nc1ncc2c(n1)-c1ccc(C)cc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGAMVKSYLYNXLL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)-c1ccc(C)cc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABXLNTJIYQRHEA-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1ccc(C)cc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKWYUIFBUTIGU-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCCN2C)ccc1Nc1ncc2c(n1)-c1ccc(C)cc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGRVWRKSYIUGNZ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCN(C)C2)ccc1Nc1ncc2c(n1)-c1ccc(C)cc1NC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJUGLESNACTDGL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(n1)-c1ccc(C)cc1NC(=O)N3)CN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXWVHVUBHRTGRA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(n1)-c1ccc(C)cc1NC(=O)N3)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIANTHBIHYRXLQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(n1)-c1ccc(C)cc1NC(=O)N3)CCN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATOBUMFINWQIF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(-c2cc(-c3cccc(F)c3)on2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYXNSZWTLALZKY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccnc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVXPYXDLHRGHL-UHFFFAOYSA-N", "SMILES:c1ccc(C(SCCNCc2ccccn2)(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLWLIVNDUEBNI-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccnc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMIPMRQFGIODS-GDLZYMKVSA-N", "SMILES:COC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cc(N(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFALQVDPBXIJB-NRFANRHFSA-N", "SMILES:CNC(=O)[C@H](CNC(=O)CCc1nc2ccccc2[nH]c1=O)NC(=O)c1ccc2c(c1)CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVXIFWCJWCZMH-UHFFFAOYSA-N", "SMILES:CC1(CNC(=O)COc2cccc3c2CCCC3=O)CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPNYTHFLXDUER-UHFFFAOYSA-N", "SMILES:O=C(CCc1nc2ccccc2[nH]c1=O)NCC(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCSFZBBNZMTAQ-AZUAARDMSA-N", "SMILES:CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2000054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVKYPKNCQJIGKV-PEFDPPPMSA-N", "SMILES:C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4755256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKHYOGNLAAFGK-DZGCQCFKSA-N", "SMILES:COc1cc(F)ccc1-c1cc(NC(=O)[C@H]2CCC[C@@H](NC(C)=O)C2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439321", "category": ["biolink:ChemicalEntity"], "name": "ATUVECICLIB", "xref": ["InChIKey:ACWKGTGIJRCOOM-HHHXNRCGSA-N", "SMILES:COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@](C)(=N)=O)c2)n1"], "synonym": ["Atuveciclib", "Atuveciclib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJIALGDLOLWBRQ-MRVPVSSYSA-N", "SMILES:C[C@H](CO)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVIBDXQYFNZNMA-ZBFHGGJFSA-N", "SMILES:CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594423", "category": ["biolink:ChemicalEntity"], "name": "TP-1287", "xref": ["InChIKey:YRNFLVUMZIRYKY-BLLLJJGKSA-N", "SMILES:CN1CC[C@H](c2c(OP(=O)(O)O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1"], "synonym": ["Alvocidib phosphate", "Alvocidib prodrug tp-1287", "Tp 1287", "Tp-1287", "TP-1287", "TP1287"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4756595", "category": ["biolink:ChemicalEntity"], "name": "ENITOCICLIB", "xref": ["InChIKey:YZCUMZWULWOUMD-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=N)=O)ccn2)ncc1F"], "synonym": ["Enitociclib", "Vip152", "BAY-1251152", "VIP-152", "Enitociclib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCLSSXZJTKIQJC-HTAVTVPLSA-N", "SMILES:Nc1nc(C[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDLAFOKSJSLKGG-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(O)CO)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYPUWZOEFAAXRB-SAABIXHNSA-N", "SMILES:COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN([C@H]4CC[C@H](C(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754493", "category": ["biolink:ChemicalEntity"], "name": "BTX-A51", "xref": ["InChIKey:RVZJFCNYSSUDCU-JOCQHMNTSA-N", "SMILES:Cn1ncc(-c2nc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)c1CC1CC1"], "synonym": ["Btx-a51"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXSBUUREHUWYMO-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1ccc(OCCCCN2CCN(c3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELARDHQWUKXHG-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1ccc(OCCCCN2CCN(c3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXDGNMXRVTBSD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCCCN2CCN(c3cccnc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZHQFMVSHLREZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCCCN2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZKNJNQGCOPFS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCCCN2CCN(c3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBMDHFEVYNFQB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCCCN2CCN(c3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCNNKYMBKBKXDB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYLOXUHUDAESGR-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(OCCCN2CCN(c3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINSUCGFGGNPDX-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCQBJSJOJNAKQ-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCCCCN2CCN(c3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNVTUFDVGJWBV-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCCCCN2CCN(c3cccnc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZUFFBQTTYRULM-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCCCCN2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMYOMNNOATYHGH-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBSOLGOZJIEOQG-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXQFGNWRSUWJLV-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJKDSAMSRMUCBY-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1ccc(OCCCCN2CCN(c3cccnc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXRPQJOIKHDDA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALOIHPPRINPBM-DLBZAZTESA-N", "SMILES:CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)cn4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKQRHHQZNGWIGS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(NCCN)cn4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTLMENESAAZLR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(OCCN)cn4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVNMOWUUFWWOD-DLBZAZTESA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)cn4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPSUYJDNOFYGMK-DLBZAZTESA-N", "SMILES:CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDSNDJJYFIJMV-DLBZAZTESA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACAIBIBNIFXKCV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(NCC5(N)CC5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVTVPBQFHJNPR-ZWKOTPCHSA-N", "SMILES:Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)C(F)(F)F)cn4C)n2)cc1N[C@@H]1CCOC[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDWYTJYEYTVURX-JKSUJKDBSA-N", "SMILES:Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)nn4C)n2)cc1N[C@@H]1CCOC[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUJMGJEVIFQIT-ZWKOTPCHSA-N", "SMILES:Cc1nnc(-c2nn(C)c3ccc(Nc4nccc(-n5cc(N[C@@H]6CCOC[C@@H]6N)c(C)n5)n4)cc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGFXPAVLAGNDK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(NC5CNC5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APXVIACNUKLHFZ-OAHLLOKOSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCNC5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APXVIACNUKLHFZ-HNNXBMFYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@H]5CCNC5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGMCYALTKDQISD-MRXNPFEDSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCCNC5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNFTNRMGXLGKN-MRXNPFEDSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCN(C)C5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCSWORJMSDWUOL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(OC5CNC5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUQRGTCLMVTXDF-OAHLLOKOSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(O[C@@H]5CCNC5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUQRGTCLMVTXDF-HNNXBMFYSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(O[C@H]5CCNC5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUVDSOSPAQVLAN-MRXNPFEDSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(O[C@@H]5CCCNC5)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCXAXWZQHNFNG-HOTGVXAUSA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@H]5CNC[C@@H]5F)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRNRQEQESTVETJ-WBVHZDCISA-N", "SMILES:CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(O[C@H]5CNC[C@H]5F)c(C)n4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVSQGKWBDWFHM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBJUOPGKREQBF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CC(COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNIAPSNMAZHUHD-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNIAPSNMAZHUHD-GFCCVEGCSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CC[C@@H](COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNIAPSNMAZHUHD-LBPRGKRZSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CC[C@H](COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAAMJAKNDKIDA-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCCC(COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQTDYVLHVPFDHK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC3(CCN(c4ccccc4C(F)(F)F)C3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAMFFGDLTXXICN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(CSc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBWDQQULMCFAX-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(CNc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGSPTCARSREFEK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3ccccc3C(C)(C)C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGIZUZZQQMVUBD-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3ccccc3C3CCCC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWZDBJBYNKLOSM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3ccccc3C3CCCCC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFFKJBBXBZYNKY-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3cccc(Cl)c3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMJEWLLXUDDIT-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3ccc(F)cc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZWAXBPHHZXSIV-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3cc(F)ccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPHYUZABRDJEDG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3c(F)cccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNHRRIKFKAMQX-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDPGHAEGUTECC-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3cnccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQDGTTPANAYBGK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3cccnc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYBGDJWPJYLTB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDBLVCVAGHXQLB-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNLJCTVDZNFMQB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccnc1N1CCC(COc2ccccc2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGHZWJTWQHXRQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)c(N2CCC(COc3ccccc3C(F)(F)F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBIWVUQOUFOQDI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NS(C)(=O)=O)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJZIIBZLOVQKAP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQTYBMLMAQVNLI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYOOJAMYRSNILV-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC2CC2)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUPESFXXGVGPB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nn[nH]n2)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABEOJZVPYJLYGA-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(Oc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZUGWGPGIJQVDA-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CC(Oc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKSHMYSIXRYAI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)nc(N2CCC(OCc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQFSDDUNGAOWKF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKQOEFTVOPIHMO-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccncc4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMBLUQNTFIKYOD-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccccc4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURKNWPHYSZGRY-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccccc3-c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENGLDAJAKSTJM-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCCc2ccc(NC(=O)C3CC=CCC3C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWUXXBXEPKJMQG-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cc[nH]n4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFTKDWYIRJGJCA-CYBMUJFWSA-N", "SMILES:C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLIZUNUHOJDCJ-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cn[nH]c4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEQOMCBKYQUBH-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cc[nH]n4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEDANLRYMHFOZ-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cnn(C)c4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHBIYXQVXUDDKU-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccn(C)n4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDYMKDKGVXIQNJ-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cnn(C(C)=O)c4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANNOMWUOAMCEK-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccn(C(C)=O)n4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYXZNBSTYYACD-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cnn(S(C)(=O)=O)c4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEEJEAXTGZCTQE-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccn(S(C)(=O)=O)n4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACTUDDPADIZLK-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZPOCVROIIBDX-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRKMEAMBNBGKDG-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXFABROZGNMRPE-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccncc4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFLGFIKSYZCSFN-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cn[nH]c4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STCZNMHATQRJGS-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cnn(C)c4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNUIKMCODLIKE-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(C)n4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRHEXGLPHPHCQ-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cnn(C(C)=O)c4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPQLBQVQHVUFGJ-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(C(C)=O)n4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXIJBVITCOCSF-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGIYYUHSTOIBMI-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(S(C)(=O)=O)n4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRERFJVRCHOICI-AXCGGZJNSA-N", "SMILES:O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)c(Br)c4CC[C@@H]23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCCWVQWCVNDRKB-BKNJMBQISA-N", "SMILES:Cc1c(C(F)(C(F)(F)F)C(F)(F)F)ccc2c1CC[C@H]1N(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CC[C@@]21S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITPMXLFDXMVAW-DBJAZQRGSA-N", "SMILES:O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4cc(Br)c(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFVKCNIIMDQMAG-BKNJMBQISA-N", "SMILES:Cc1cc2c(cc1C(F)(C(F)(F)F)C(F)(F)F)CC[C@H]1N(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CC[C@@]21S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRSGHJVWWWPCST-DBJAZQRGSA-N", "SMILES:O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4cc(Cl)c(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXNYZOAPQIDHP-MUFCAHJZSA-N", "SMILES:N#Cc1cc2c(cc1C(F)(C(F)(F)F)C(F)(F)F)CC[C@H]1N(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CC[C@@]21S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634542", "category": ["biolink:ChemicalEntity"], "name": "BMS-986251", "xref": ["InChIKey:JQORWGARJVSRBA-QOTTZFGFSA-N", "SMILES:C[C@H]1C[C@H](C(=O)O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"], "synonym": ["Bms-986251", "BMS-986251"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIJFIKUNBLKXEZ-ZWCZCVMMSA-N", "SMILES:C[C@H]1C[C@H](C(=O)O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRBKKZYWZRWOFL-GSDLGJSISA-N", "SMILES:C[C@H]1C[C@H](C(=O)O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccccc3)c3cc(F)c(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZWLMVQSCCJIJ-MOSHPQCFSA-N", "SMILES:O=C1/C(=C/c2cn(Cc3ccccc3)c3ncccc23)N2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYFYXSIHVLYZOJ-NDENLUEZSA-N", "SMILES:O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ncccc23)N2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLINLMFTCONTJO-NDENLUEZSA-N", "SMILES:O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ncccc23)N2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTJLGUEGVOSLA-NDENLUEZSA-N", "SMILES:O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ncccc23)N2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDWHAVIKIIZWKT-RGEXLXHISA-N", "SMILES:O=C1/C(=C/c2cn(CCN3CCCC3)c3ncccc23)N2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOLTNUUYYFZMU-MTJSOVHGSA-N", "SMILES:N#Cc1ccc(Cn2cc(/C=C3/C(=O)C4CCN3CC4)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFKHVNUTXZIGSB-NDENLUEZSA-N", "SMILES:O=C1/C(=C/c2cn(Cc3cccc(C(F)(F)F)c3)c3ncccc23)N2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVGQJXECHHRTI-NDENLUEZSA-N", "SMILES:OC1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ncccc23)N2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPCWTNMPKPKGR-FBBABVLZSA-N", "SMILES:CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCO)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOTYHDSLIUKCJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(I)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTVVZNAZDZTTIE-AVJOAVJHSA-N", "SMILES:CO[C@H]1[C@@H](OC)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)N[C@H]2CCCCNC2=O)=C[C@H](O)[C@@H]1O)C(N)=O"]}
{"name": "UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase", "xref": ["CHEMBL.TARGET:CHEMBL4739704"], "id": "UniProtKB:Q9H3H5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQABPQRYOQAJM-YSJZXXSHSA-N", "SMILES:CO[C@@H]1[C@H](O)[C@@H]([C@@H](O[C@H]2OC(C(=O)N[C@H]3CCCCNC3=O)=C[C@H](O)[C@@H]2O)C(N)=O)O[C@H]1n1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUADDYHIIVFGJX-CFBYJVJYSA-N", "SMILES:CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)NCc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)=C[C@H](O)[C@@H]1O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNYCDECMGYDEDQ-XXRAEKJGSA-N", "SMILES:CO[C@@H]1[C@H](O)[C@@H]([C@@H](O[C@H]2OC(C(=O)NCc3ccc(N4CCC(Oc5ccc(OC(F)(F)F)cc5)CC4)cc3)=C[C@H](O)[C@@H]2O)C(N)=O)O[C@H]1n1ccc(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPNVTQYZVZWIF-GGHRAOLWSA-N", "SMILES:CO[C@H]1[C@@H](OC)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)NCc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)=C[C@H](O)[C@@H]1O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRKRPJUCVNNCH-AMFJOBICSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@H]([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](NCCCC(=O)NCc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)C(N)=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXRURYHFBZSGH-MHZLTWQESA-N", "SMILES:Cc1nc2cc(-c3ccccc3)nn2c(-c2cc(F)c3c(c2C)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXXOVBXWCAOES-LHAPQZOASA-N", "SMILES:Cc1c([C@H](OC(C)(C)C)C(=O)O)c2n3cc(nc3c1C(C)(C)O)-c1cccc(c1)-c1cc(F)ccc1O[C@@H](C)CCCCOC1(C)CCN2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1349403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVUADLCPMUWKHH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPXJYQLDMITMD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OCC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVAKPPMNZJDSY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFZWYABDVRRLAO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZXZUKVHXESDP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2SC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1527295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGIYNSOZTOFNTM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQKYNNACYUZHGO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccc(OC)cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQOUZLPXTJGDIS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(OC)cccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECDKZDWQPEKMW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2cc(F)ccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORWGXFYNYYZQL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2cccnc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWGQRKGTSJHOH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2nccnc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRXJEJZQICXGFB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OC)C(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZILVBHNKCQIDCA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OC)CC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJKBFLDXMGKJGY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N(C)CCN(C)c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZJTDVZLGYQEZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1C1=CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFXFTFTNXXXBI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWUNSMZFIDCFLH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVCLIPWAMYCGK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWOHDDCPMXISP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OCC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTYROYLWNSXRBA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2SC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSNSIKFDQUMGRC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OC(C)C)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRTBXTLEOHQWHX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(-c2ccccc2OC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBLHRXDOYFIAZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(-c2ccccc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVAGVCSHQRFGD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(-c2ccccc2OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMMDSLWGWCCZAE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1cc(F)c(-c2ccccc2OC)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKOLGJPHIBRNO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccn(Cc2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLORXPYXPWPIGA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnccc1N1CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSEUXAKOLZSFPR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2ccsc2c1N1CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBIZBRVLZOIQPS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2sccc2c1N1CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFYILRBDOWLPK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1N1CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQNGTKHMDAQNEN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1-c1ccc(-c2ccccc2OC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPOCLJQCMSMIQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1-c1ccc(-c2ccccc2OCC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFULRXSHHBVYJO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWISCCWRCGCOU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1C1CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOJJJUABEXCEIC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1C1CC2CC(C1)N2c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVMOVOEROCRIO-GOSISDBHSA-N", "SMILES:CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@@H]2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCAUUQVQHKESJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]ncc34)c(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUGGAGLSLEDSQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4nc[nH]c34)c(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZLYWCFQUPJGPJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMVARAZJYYZKEH-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATDNCRLNUWIUST-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3nccc4ccccc34)c(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHJLUGIAFPMOMZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)ncnc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSLYAELUWUSNGT-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMITYJURDIGPPZ-UHFFFAOYSA-N", "SMILES:CCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANCAHHAAUGCRLS-UHFFFAOYSA-N", "SMILES:CCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLIGIKTBNGHEZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWPLORXUXARJY-UHFFFAOYSA-N", "SMILES:COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTWTJDFEZEVNN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)ccnc2cc1OCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRBWWFCMPFPUEW-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)ccnc2cc1OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWUGFHUDAOTST-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)ccnc2cc1OCC1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHTDHSQXERJMGE-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)ccnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QROXHLTZPJUQED-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)ccnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRSGDZDZHBYGFK-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)c2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOJFZCQOJWYBJW-UHFFFAOYSA-N", "SMILES:COCCOc1cc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)ccnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJEOPWXGRGGTBA-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)c2cc1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBHWFKDUYRVJM-UHFFFAOYSA-N", "SMILES:CCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)c2cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GREYZTLGONPTQL-UHFFFAOYSA-N", "SMILES:COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCPAMTUYGMRMB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4cc(OCC5CCCC5)c(OCC5CCCC5)cc34)c(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDGYXVSGGSRTIY-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(Oc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRTZZXEYYXREE-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(Oc2nc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQHLRBUFWDMIIG-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(Oc2nc(-c3ccnc4[nH]ccc34)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPZIYSVGQSCET-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(Oc2nc(-c3cnc(N)s3)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLZLKJUQNXYRK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(Oc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFTWLTJRDRNXQT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1"]}
{"name": "Neuropeptides B/W receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL1293293"], "id": "UniProtKB:P48145", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTIVNBPMTWEWRW-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZNXSGMLLJMOS-UHFFFAOYSA-N", "SMILES:CCCc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAINHVMXBULJEN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTBLMSPAVZZOE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2[nH]c(-c3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQLJOCVXNSMXKB-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXCXGAJXGRGXDX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(-c3ccc(N4CCCC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALEDJGHKEVIUFF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(-c3cccc(N4CCCC4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVIQIXLCXJTLF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3N3CCCC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1407741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXNOHLXULKUIZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOQZMPRTANLIOC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(-c3cccc(Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZLCLVWHXJPHL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(-c3ccccc3Cl)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1446966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAMPIRQLXWIYCV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCARKCKFOBGCNN-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYODHJRICJVAX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPAUGSYVFGVSOV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1535921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JICZNRHKLQRCIO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL159895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQAXRPAGHNBDHU-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVHTBDRDLYOFI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYYMKNHGJBHHS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXSLIUUNCKEICO-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFPICOYODRRXCO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1944807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLHVTUMTOSNKRV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFKJNQXJMHDCM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(-c3ccc(Cl)cc3Br)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYBQGRQAFKDKAK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(-c3c(Cl)cc(Cl)cc3I)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTIRYFBCAIJKG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cn[nH]c4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBFUWZQFLIHYFM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccoc4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMFJQIBADNJSR-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYPCGVXBGOSLK-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQEMOBMSXGCOTB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4nnco4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHLXAFYKQCAJA-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4nnc[nH]4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJQZBYMVVTBJF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJLOGYMPMQOGZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4c[nH]nc4C(F)(F)F)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIKYUANMKZISMZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2[nH]c(-c3c(Cl)cc(-c4cn[nH]c4)cc3Cl)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQMGXXVWMXGMA-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cc(Cl)c(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c(Cl)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZPYADICZBEPG-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2cc(Cl)c(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRIOGHDSSIVIOT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHOXCSDDMCCTPM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFGHBSOJPEFRU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SODIMCQABALFOL-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)ncn3CC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVUAYVRDJQBCX-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIIVWGHOGKSZAN-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQOIVTNXEBEPQR-UHFFFAOYSA-N", "SMILES:O=C1COc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHDUKKNKCRHGSE-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2ccc(Nc3cc4c(cn3)ncn4CC3CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABHWSCJBONLHD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)oc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSRHINWXQLPSBQ-UHFFFAOYSA-N", "SMILES:CC1Oc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc2N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWALHBHAIPDYBK-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(F)(F)Oc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMWNRMKYGKWUDE-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2nc(Nc3cc4c(cn3)ncn4CC3CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGGQWNKPBCAIKX-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWQZRKLKJGSBU-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2cc(Nc3cc4c(cn3)ncn4CC3CC3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQZTPDZIKRZRD-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2cnc3c(c2)OCC(=O)N3C)cc2c1ncn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTJCGDOKDTBSL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cnc3c(c2)OCC(=O)N3C)nc2c1ncn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUYUJDPUMBLNM-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2cc(Nc3cc(C(F)(F)F)c4ncn(CC5CC5)c4n3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXKAPVMLIBICJF-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2cnc3c(c2)OCC(=O)N3C)nc2c1ncn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANARVVNNNQSSPE-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2cc(Nc3cc4c(cc3OC(F)(F)F)ncn4CC3CC3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAJDPKKSTAAVAV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(-c3ccncc3)cn2)nc2c1ncn2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYUFJVHWJYWILF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Nc2ccc(-n3cnc(Cl)c3)nc2)nc2c1ncn2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOHMSPFZPHPQOZ-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc(Nc3cc(C)c4ncn(CC5CC5)c4n3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQQCPWHLJXFLOG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(-c3cnc4ncccn34)cn2)nc2c1ncn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMBJGUURXSJBY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(-n3ccnc3)nc2)nc2c1ncn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPTUGAJMJPLFY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(-n3ccnc3)cn2)nc2c1ncn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIRUFSULBITCML-UHFFFAOYSA-N", "SMILES:Fc1cc(Nc2nc3c(ncn3CC3CC3)c(F)c2F)ccc1-n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSIEAATASXETC-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(Nc2ccc(-n3ccnc3)nc2)nc2c1ncn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGJMHPGMVUEKY-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOCVDXNGWYAMP-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(Nc2cnc3c(c2)OCC(=O)N3C)cc2c1ncn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIATUTKVKGZJDQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)ncn3CC2CC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSJZLVSSPDLCTJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2cc3c(cn2)ncn3CC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFNICYWQZAOPO-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2cc(Nc3cc4c(cc3F)ncn4CC3CC3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTIGXSUDIFYPI-GVAUOCQISA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAWMSFOVHRCJAX-LUSMBWRKSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAEMKRFOORLALZ-YEJMJCSASA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMFVPFXWDUXJR-QRURJPQPSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQDUQLAFKFLQTQ-QRURJPQPSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHXXMOCSLYNBV-YRHYFRTJSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKKFRVBNBSGHFM-XRAYOBHWSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZZJCSTDBFLBU-ANITWDKYSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSTHLZHYPGORFI-IZFFCAOBSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2Cc3ccc(O)cc3C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZDNJIOWZQXYGZ-ZJSCUCBRSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2Cc3ccc(O)cc3C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLJOJCWQWXZBU-YEJMJCSASA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAASVRUAWVMHCV-QRURJPQPSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQDBCHHEIKQPJD-ODKJCKIQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4597094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHHIRBOAQJREB-VEIVPZTASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIIZGPXYKAMCT-AEYHRTIPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMAKXFFNWEQHI-CZNDGZOLSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTAQIMOGCCTEA-MWCICDNOSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQIEOWKCYQHGY-NXUCNJKMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSLRCGORNUWWEU-VEIVPZTASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFRRNOLFFQBQU-AOOOYVTPSA-N", "SMILES:C[C@@H]1CN(c2ncc(-c3cccc(Cl)c3Cl)c(N)n2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLRWNAFASYVDAD-PHIMTYICSA-N", "SMILES:C[C@@H]1CN(c2ncc(-c3cccc(Cl)c3)c(N)n2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZGDRSYGPVIECI-AOOOYVTPSA-N", "SMILES:C[C@@H]1CN(c2ncc(-c3ccc(Cl)c(Cl)c3)c(N)n2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUYQWQCVZPFJA-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCC(N)CC2)ncc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIJSIGAQYIYSAU-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2ncc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBHWSBPGMHSPCC-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTTSGEFPLPXNHH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJISKINOWNRRNX-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKFJINZHYZDPBI-UHFFFAOYSA-N", "SMILES:CNc1nc(N2CCC(C)(N)CC2)cnc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYJMENLWUXOKNT-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(Sc3cccc(Cl)c3Cl)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPEZYDNNURIHBQ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOFINDIEOAUEAE-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFYNVDLRVQDAU-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Oc3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELFJGGXBSLXRE-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Cc3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFZSVNQUAOVFHI-UHFFFAOYSA-N", "SMILES:CC1(CN)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAMNYDQBNJFTSZ-UHFFFAOYSA-N", "SMILES:CC1(CN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBLYMVJAFCDNOA-UHFFFAOYSA-N", "SMILES:CC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLPYAFYUJAPVEZ-UHFFFAOYSA-N", "SMILES:CC1(CN)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLRMLMESIBHAO-UHFFFAOYSA-N", "SMILES:CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILINPAZQNCUDMW-CYBMUJFWSA-N", "SMILES:Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILINPAZQNCUDMW-ZDUSSCGKSA-N", "SMILES:Nc1nc(N2CCC3(CCC[C@@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXCYOPEUVHPLV-GFCCVEGCSA-N", "SMILES:Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQASZSQCUYWGME-CYBMUJFWSA-N", "SMILES:Nc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)cn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMJHHTRDBKAMSN-LLVKDONJSA-N", "SMILES:Nc1nc(N2CCC3(CC2)COC[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCJZOKGUEJUNIO-QMTHXVAHSA-N", "SMILES:C[C@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCUHSWONNREECS-KZUJFRSNSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)/C(=C3\\Nc4ccccc4\\C3=N/O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVHBVJJLKJWGG-DYGSTNMMSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)/C(=C3\\Nc4ccccc4\\C3=N/O)c3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBBHPGFCZCWFBW-DYGSTNMMSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)/C(=C3\\Nc4ccccc4\\C3=N/O)c3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEHFJPJEYGBDL-IVGNLCKYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)/C(=C3\\Nc4ccccc4\\C3=N/O)c3cccc(Cl)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHLUMCHYKQTFJ-DYGSTNMMSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)/C(=C3\\Nc4ccccc4\\C3=N/O)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYKRABWRKHHINK-WKVCDGSWSA-N", "SMILES:Cc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\\O)C(=O)N2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKBNLVBBMJDNLX-WKVCDGSWSA-N", "SMILES:COc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\\O)C(=O)N2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPBWDZVXFSTVMR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)NCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFHBWQUTCXAXMP-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(NCCNC(=O)CCCCCCCCCCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDUQEHFYOAZGKI-HAQNSBGRSA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@H]4CC[C@H](C(N)=O)CC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKLYDRRAIHGZPF-JOCQHMNTSA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@H]4CC[C@H](CN)CC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHLPUOBFBCDRP-GHMZBOCLSA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@@H]4CC[C@@H](N)C4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHLPUOBFBCDRP-QWRGUYRKSA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@H]4CC[C@H](N)C4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSSVNNRCKMPPZ-CQSZACIVSA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@@H]4CCN(c5ccncc5)C4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMUKECAWOUFRJ-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3ncc4nnn(-c5ccn(C)n5)c4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYJNFCRUTKYKNV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2nnc3cnc(Nc4cnn(C5CCN(C)CC5)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWEOBSGKFWBFJW-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3ncc4nnn(-c5ccc(F)cc5C#N)c4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVECMUKVOMUNLE-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3590107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDAJDNHIBCDLQF-RUZDIDTESA-N", "SMILES:O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHURSLXNNAPMNU-JOCQHMNTSA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@H]4CC[C@H](CO)CC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHLPUOBFBCDRP-WDEREUQCSA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@@H]4CC[C@H](N)C4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHLPUOBFBCDRP-MNOVXSKESA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@H]4CC[C@@H](N)C4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPNQYDPSSZBME-OLZOCXBDSA-N", "SMILES:COc1ccc(-n2ncc3cnc(N[C@H]4CC[C@@H](N)C4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXDVZIYQYYSEBQ-VXGBXAGGSA-N", "SMILES:COc1ccc(-c2n[nH]c3cnc(N[C@@H]4CC[C@@H](N)C4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKNRILHKYZYNB-VXGBXAGGSA-N", "SMILES:COc1ccc(-n2cnc3cnc(N[C@@H]4CC[C@@H](N)C4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWYCUNYGNQEQHR-VXGBXAGGSA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@@H]4CC[C@@H](N)C4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYCSZJFCBXZCDD-HAQNSBGRSA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@H]4CC[C@H](N)CC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSSVNNRCKMPPZ-AWEZNQCLSA-N", "SMILES:COc1ccc(-n2nnc3cnc(N[C@H]4CCN(c5ccncc5)C4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTFRRKDPZGIBM-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(NC(=O)NCc3cc(C(F)(F)F)nn3-c3cccc(Cl)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWZDBAUPGJMUIZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAHYRLOXRZTJAL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)Nc1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPQBXYLHKFNWJH-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3cccc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTENNXWUXBELHO-UHFFFAOYSA-N", "SMILES:CC(=O)n1ncc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3cccc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFQVSMMQHKKFT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHMOLVNGVABXAJ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3cccc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHRYUKBIZIKDX-UHFFFAOYSA-N", "SMILES:CC(=O)n1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3cccc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWNXECPZLSFGJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1)Nc1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKNWVFZYFUWBG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)Nc1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJUQMZGZUPRRX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1ccc(C(F)(F)F)cc1)Nc1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRAOFLELDIPLP-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-n2nc(C(F)(F)F)cc2CNC(=O)Nc2cccc3[nH]ncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJOMSGFVKMDDG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1ccc(F)c(Cl)c1)Nc1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKILPIWVWRYBRE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(F)(F)F)cc2CNC(=O)Nc2cccc3[nH]ncc23)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRCLCVCYOODBA-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3cccc(F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMVDPWQRQPTTDQ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3cccc(C(F)(F)F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQDANRAXZNZNC-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3ccc(Cl)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIOIFHOOMUWLCG-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3ccc(F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGQNQBWUIMHLA-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3ccc(C(F)(F)F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBQKEGYFOWUDB-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3ccc(C(C)(C)C)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTCWSPRMDXXARM-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3ccc(F)c(F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPSWTDZQBSCGN-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3ccc(F)c(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLENWFLYLKSSPU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(F)(F)F)cc2CNC(=O)Nc2cccc3c2cnn3C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTCHHGOLRGURG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTWOQYMVYHKII-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGSOJXFCBPGNC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISKNGPBCLAGNEU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLOCBZSJSUZGE-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)Nc2cccc3[nH]ncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUHDHFWYGJAMHY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)Nc2cccc3[nH]ncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRLAYTALCWVMAB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2ccc(F)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKQRWOHJKBLLE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVNCYKLXPFHJNO-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3cccc(C(F)(F)F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKSZLINBXZWXRK-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3ccc(Cl)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGIZFVPKATKQV-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3ccc(F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSDJAOPFDPGNX-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3ccc(C(F)(F)F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBQJXDFUIIBWHC-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3ccc(C(C)(C)C)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMLZOUOCIZPJW-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3ccc(F)c(F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTJYYKLPAVHKL-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3ccc(F)c(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJTIWSSBMVYJQU-UHFFFAOYSA-N", "SMILES:Cn1cc2c(NC(=O)NCc3cc(C(F)(F)F)nn3-c3cccc(Cl)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPZFTFNLCTUDSE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2ccc3[nH]ncc3c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSQIVFQSLDZCJ-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(NC(=O)NCc3cc(C(C)(C)C)nn3-c3cccc(Cl)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXSGGPVRHDSMA-UHFFFAOYSA-N", "SMILES:Cn1ncc2ccc(NC(=O)NCc3cc(C(C)(C)C)nn3-c3cccc(Cl)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNCFNNDZJFFII-UHFFFAOYSA-N", "SMILES:Cn1cc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3cccc(Cl)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVNFMNOBVUMEHU-UHFFFAOYSA-N", "SMILES:Cn1ncc2ccc(NC(=O)NCc3cc(C(F)(F)F)nn3-c3cccc(Cl)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGDBIYWGVVBBU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2ccc3cn[nH]c3c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSRSQFABDGTFSW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)Nc2cccc3[nH]ncc23)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLVGPPRZJNJOLD-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1cc(NC(=O)C=C)cc(-c2n[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCMAZDUWLKXRRU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2n[nH]c3cc(C)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1392132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGYCHSOZFBOOKO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4794376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZMRAJIUHSPJIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3ccc(O)cc3OC2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL155103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IETDBZQIWIJQJG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2ccc(O)cc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL153505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPZCQZTVDNJHQ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2cc1-c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3739747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMAXWFBDUTNFD-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4797003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIBUCIJBAGYNNV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLGKTFEJVAHBQ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2cc1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWCJEVIJWQBGU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3ccc(O)cc3oc2=O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1801021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOZYYWMSBIRAEG-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRSYNYFTCOANQY-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2cc1-c1cccc(Cl)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4776234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMJHLCMSVMDLM-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2cc1-c1ccccc1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1387945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXDAXGKPCUCYLG-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2cc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMKNKUCTQSRDGU-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2cc1-c1ccc(Br)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4739944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORRTLLSMUYETH-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2cc1-c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIXMJTYHQHQJLU-UHFFFAOYSA-N", "SMILES:COC(=O)CC1CC(c2ccc(O)cc2)=NO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCDFBFRXPYHIG-UHFFFAOYSA-N", "SMILES:Oc1ccc(-n2cc(-c3ccccn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPAFWOVBKGXZPP-UHFFFAOYSA-N", "SMILES:Oc1ccc(-n2cc(-c3cc4ccccc4cn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUMLMDJJBISLE-RQZCQDPDSA-N", "SMILES:COc1ccc(C(=O)N/N=C/c2ccc(O)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRZIIIHHRUMTI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc(O)c(F)c2)nn1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXDWEHJHMJKTF-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc(O)c(F)c2)nn1)c1cc2cc(Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDMESLDXVYBQW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(-c3cc4ccc(O)cc4oc3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSMXIBUSPONRY-MACFCTNBSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C(=O)OC)C[C@]1(N)c1ccc(=O)[nH]c1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4786589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJTYVJCTXDMTK-DEOGUITISA-N", "SMILES:C/C=C1\\[C@H]2C=C(CO)C[C@]1(N)c1ccc(=O)[nH]c1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4756952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCXVSJJZJIGJC-KQURDKLPSA-N", "SMILES:C=C(CO)[C@H]1CC[C@H](C)[C@H]2CCC(C(=O)O)=C[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYYWWQXMXXNJSB-IGHBBLSQSA-N", "SMILES:C=C(C)[C@H]1CC[C@H](C)[C@H]2CCC(C(=O)O)=C[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4798331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPFJIKTWYOCMH-HLTSFMKQSA-N", "SMILES:COC(OC)[C@@H]1CC(=O)[C@@H]2C[C@H]1C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4759191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKPAJDJTVJQOI-WVZRYYJFSA-N", "SMILES:C[C@]1(CO)[C@@H]2C[C@H]1C(=O)C[C@@H]2COC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQZRRDKYQBNHHG-OAHLLOKOSA-N", "SMILES:CC(C)(O)[C@@H]1CC=C(COC(=O)c2ccccc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYKGEKWHBMLSGS-SECBINFHSA-N", "SMILES:CC(C)(O)[C@@H]1CC=C(CO)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4796626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFYWJELXORKNFO-MRVPVSSYSA-N", "SMILES:CC(C)(O)[C@@H]1CC=C(C(=O)O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL251308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXWLKAXCQLXHML-WGOZWDAUSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12"], "synonym": ["23-Hydroxybetulinicacid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4800408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSOINUFDMMDDSM-ANRHJZJOSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H]6OC(C)(C)OC[C@@]6(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL461060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIIFBMGUDSHTOU-CFYIDONUSA-N", "SMILES:CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4789029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZTXRAOZNVKIDQ-ZOGWWOATSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H]6OC(C)(C)OC[C@@]6(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4756235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIEVGCOOBKZLFD-PRGPMLBASA-N", "SMILES:C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H]6OC(C)(C)OC[C@@]6(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFQQNXFKPNZRFT-UHFFFAOYSA-M", "SMILES:CC(C)(O)c1coc(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRXAKVMPZFEAZ-UHFFFAOYSA-M", "SMILES:O=C([N-]S(=O)(=O)c1ccco1)Nc1c2c(cc3c1CCC3)CCC2.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNXHSIIEWCBYBE-UHFFFAOYSA-M", "SMILES:O=C([N-]S(=O)(=O)c1ccccc1)Nc1c2c(cc3c1CCC3)CCC2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILJCFPDQDLVTIG-UHFFFAOYSA-M", "SMILES:CS(=O)(=O)[N-]C(=O)Nc1c2c(cc3c1CCC3)CCC2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPEUSHWTEKFXMA-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUULATIXSCXERO-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKFPHCJSNRZFS-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXXJSPXSINECPT-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNC(=O)Nc1cc2c(c3c1CCCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCAQYZCPRUSCC-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1ccccc1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCAQYZCPRUSCC-HXUWFJFHSA-N", "SMILES:COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJVQORJLLIOAP-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1ccccc1O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQFTXYOFWPWEA-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1cccc(O)c1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCDQFJKZDAFED-HXUWFJFHSA-N", "SMILES:COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYRKHBSYCOLMX-OAQYLSRUSA-N", "SMILES:COC(=O)[C@@H](Cc1cccc(C#N)c1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOHILIPUWTKDD-OAQYLSRUSA-N", "SMILES:COC(=O)[C@@H](Cc1ccc(C#N)cc1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFAQJCSXBFMOV-LJQANCHMSA-N", "SMILES:COC(=O)[C@@H](Cc1ccccn1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSRMYZMZCFBKK-LJQANCHMSA-N", "SMILES:COC(=O)[C@@H](Cc1cccnc1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTFONAVPJHVEM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cc1ccncn1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSWHSZDQHCTAL-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](Cc1cncnc1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQAYIIPTAZWNFI-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](Cc1cccnn1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOLDSBDWDRJDAV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cc1ccnnc1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGKQGJVFBMUMLC-GOSISDBHSA-N", "SMILES:CCOC(=O)[C@@H](Cc1ncccn1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JALGAMNPHRBOTO-LJQANCHMSA-N", "SMILES:CCOC(=O)[C@@H](Cc1cnccn1)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZZYHIMVKOHVIH-VILODJCFSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4795808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZVFSNUDMJUHI-HUFBJMABSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)CNC(=O)CN)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWLBYCWDNNUIPR-FATFDOLBSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)C[C@H](C)NC(=O)C[C@H](C)N)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFTGSGBXWMOHCQ-KAIJHTDBSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)CNC(=O)CNC(=O)CN)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSMFPAVLVUXEES-FUHNTKCRSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)C[C@@H](C)N)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXQOTLKQGULRI-KZWPPJCSSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)[C@H]5CCCN5)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUFUBWXWXUYCQP-FXHQYRKWSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)C[C@H](C)NC(C)=O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAJEFXNLCOASH-SHMJLHIPSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)[C@@H]5CC(F)(F)CN5)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNRZQQIMBOKRW-WPTVPAQISA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OCC(=O)NCCN)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWFXTXDBQYTND-HGQUSXARSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)[C@@H](C)N)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNWXFLXIXZIES-GQSJDCEISA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)CNC(=O)OC(C)(C)C)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQHPLXOMWKPQR-ZTLGQYDXSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTGRJKVLNOQGQ-MMUOHAIUSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)[C@@H]5CCCN5C(=O)OC(C)(C)C)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQDWVBFLRDYDI-CYIKLBDBSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)CN)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWFXTXDBQYTND-XCJJPGJBSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)[C@H](C)N)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOOKPDMYBFMDV-XWFJIGTLSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)[C@@H](N)C(C)C)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXJSZCDSGFKLHY-XIMGAVLCSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)[C@@H](N)CC(C)C)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBMDKSYNRZQAU-QANFVUJASA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)OC1=C(C)[C@@H]2C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@H]4[C@]5(C(=O)OC)OC[C@]34[C@H]([C@@H](O)[C@@H]5O)[C@@]2(C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXQOTLKQGULRI-SOSQUABLSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)[C@@H]5CCCN5)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSMFPAVLVUXEES-QNSXDDNESA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)C[C@H](C)N)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBOUVKHXXMCCJA-KPKJPENVSA-N", "SMILES:C=CCOc1cc(OC)ccc1C(=O)/C=C/c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBKMPHPQQSIVNZ-UHFFFAOYSA-N", "SMILES:NC(N)=NCP(=O)(O)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1160572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGJRESONGYMNQ-UHFFFAOYSA-N", "SMILES:NCP(=O)(O)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKMLWWUVPEBQC-UHFFFAOYSA-N", "SMILES:CC(=O)NCP(=O)(O)CP(=O)(O)O"]}
{"name": "Farnesyl pyrophosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL2150832"], "id": "UniProtKB:Q4QBL1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5664"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQAKUEMIJABYHB-UHFFFAOYSA-N", "SMILES:CCCCCCCCCNC(O)(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL298852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXBDBOGSDLDYIY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHZVZFYIRNGZQY-UHFFFAOYSA-N", "SMILES:O=C(NNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVWZBRFTCSCEKZ-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXENCOJSNLGFLT-UHFFFAOYSA-N", "SMILES:O=C(NN1C(=O)c2ccc(C(=O)OCCCNc3ccnc4cc(Cl)ccc34)cc2C1=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFQFEFZSESJHFH-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCCNc1ccnc2cc(Cl)ccc12)c1ccc2c(c1)C(=O)N(NC(=O)c1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJVKZDKYWGHHDS-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1ccnc2cc(Cl)ccc12)c1ccc2c(c1)C(=O)N(NC(=O)c1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONQKDGIWRLTEEJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCNc1ccnc2cc(Cl)ccc12)c1ccc2c(c1)C(=O)N(NC(=O)c1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVIORIBHTJYWNO-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccc2c(c1)C(=O)N(NC(=O)c1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLAPLGWQKBBMRN-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1ccnc2cc(Cl)ccc12)c1ccc2c(c1)C(=O)N(NC(=O)c1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARHAXACJBVGHI-UHFFFAOYSA-N", "SMILES:O=C(NNC(=O)c1ccc2c(c1)C(=O)N(CCCCCCCCNc1ccnc3cc(Cl)ccc13)C2=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWDHNQATNFDCSI-UHFFFAOYSA-N", "SMILES:O=C(NNC(=O)c1ccc2c(c1)C(=O)N(CCCCCCNc1ccnc3cc(Cl)ccc13)C2=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMUCKYRTZJNRH-UHFFFAOYSA-N", "SMILES:O=C(NNC(=O)c1ccc2c(c1)C(=O)N(CCCCNc1ccnc3cc(Cl)ccc13)C2=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKXNJLKVYNSDU-UHFFFAOYSA-N", "SMILES:O=C(NNC(=O)c1ccc2c(c1)C(=O)N(CCCNc1ccnc3cc(Cl)ccc13)C2=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXGNWWUPRWPENO-UHFFFAOYSA-N", "SMILES:O=C(NNC(=O)c1ccc2c(c1)C(=O)N(CCNc1ccnc3cc(Cl)ccc13)C2=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNCCOQCRNTCTE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(CCCCCCCCNc1ccnc3cc(Cl)ccc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJAJVANVPQLUBM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(CCCCCCNc1ccnc3cc(Cl)ccc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEHQTEXHLVUVMF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(CCCCNc1ccnc3cc(Cl)ccc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWCMIBJBMBFCGX-UHFFFAOYSA-N", "SMILES:O=C(NN1C(=O)c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2C1=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHLXSHECSAGDW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(CCCNc1ccnc3cc(Cl)ccc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQTGJHCPBLCAPY-UHFFFAOYSA-N", "SMILES:c1ccc(-n2cc(COc3ccc4c(c3)CCC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCQCRSDXJZTWDL-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AABMWTVOZPBDRA-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2cc(COc3ccc4c(c3)CCC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BONQKZYDTXNWCU-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(COc3ccc4c(c3)CCC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFVUWWGOMEYQT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2cc(COc3ccc4c(c3)CCC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLPOQBIHAAFOL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(COc3ccc4c(c3)CCC4)nn2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKJZODDXOQJKR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2cc(COc3ccc4c(c3)CCC4)nn2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYVLLBCXSNTWSJ-UHFFFAOYSA-N", "SMILES:Cc1ccc([N+](=O)[O-])cc1-n1cc(COc2ccc3c(c2)CCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGIRFALWHUKTGP-UHFFFAOYSA-N", "SMILES:Brc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWLGKEBTSDTWLK-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYBCWAHUTZAOGC-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)Cn1cc(COc2ccc3c(c2)CCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXSRGLERODXDN-CMDGGOBGSA-N", "SMILES:COc1c(/C=C/C(=O)c2ccccc2)cc(OC)c2occc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4745499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTFBPCMYIQNHE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCC(F)(COCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOONYBOSLLUAQB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cc(N3CCC(F)(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDBXYFWYGARIZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCC(F)(COCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXHKLSXEKGZKMK-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQBHOCJKWWLRM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2sc(N3CCC(F)(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLSXGZWQZPISH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC(F)(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRZWWESCFAYFJJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(N3CCC(F)(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFEACMXWLHMLAZ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGZGFXCIQUYWBL-UHFFFAOYSA-N", "SMILES:O=C(O)c1coc2cc(N3CCC(F)(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IASAYYMYCTUFNZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc2cc(N3CCC(F)(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKMCHDZCOCWOY-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)O)cc2ccc(N3CCC(F)(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOFDMQIKSHQHNN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2ccc(N3CCC(F)(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQKDNIFOPRMZEH-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5c(F)cccc5Cl)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBESIEJGTGSUAA-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5ccccc5F)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIUWWCSNFRFIAX-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5ccccc5Cl)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNVQNCNDBUXTM-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJCWTWQCXGJIQ-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXCGUUPQHWYTH-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5cccc(OC(F)(F)F)c5)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISGUVZPAKRMEGF-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5ccc(OC(F)(F)F)cc5)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBPUANKJNYQMPJ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5c(F)cccc5Cl)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDNZMUZQVJEEZ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2ccc(N3CCC(F)(COCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXHMCHZIXBEVDZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc2cc(N3CCC(F)(COCc4c(-c5ccccc5F)noc4C4CC4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTQYOGILHKZQY-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc2cc(N3CCC(F)(COCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYYLNLPUVKOQN-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc2cc(N3CCC(F)(COCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPJTXKIQGXTMS-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc2cc(N3CCC(F)(COCc4c(-c5cccc(OC(F)(F)F)c5)noc4C4CC4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXZFXWMSOYQGPE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC(F)(COCc4c(-c5c(F)cccc5Cl)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYIHHLGFESWKCF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC(F)(COCc4c(-c5ccccc5F)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFOWYLDFYLUPOG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC(F)(COCc4c(-c5ccccc5Cl)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPXUXWHLJNHNS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC(F)(COCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXWHSDBJWJSFDF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC(F)(COCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPPDRROZAXHHPG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC(F)(COCc4c(-c5cccc(OC(F)(F)F)c5)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPVIBAZCNUBCBP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC(F)(COCc4c(-c5ccc(OC(F)(F)F)cc5)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NINYJOWJFLWTAO-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3C4CCC3CC(F)(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXCKVDAHZVNHV-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2ccc(N3C4CCC3CC(F)(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGSIPXGKNKUPIP-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc2cc(N3C4CCC3CC(F)(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXKIHLJIONPCOA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3C4CCC3CC(F)(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230912", "category": ["biolink:ChemicalEntity"], "name": "ANTIPAIN", "xref": ["InChIKey:SDNYTAYICBFYFH-TUFLPTIASA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C=O)CCCNC(=N)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4764505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKHDFIKUCOZOMN-OQYVTVKQSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@H]1CCNC(=N)N1)C(=O)N[C@H](C=O)Cc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4788595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJKIMDICOYZISQ-JQZXIOIQSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@H]1CCNC(=N)N1)C(=O)N[C@H](C=O)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4745212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYLKYCXKIPAUBE-PBLIPAAASA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOWOOKRSUXPOOS-PBLIPAAASA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQYBXRQNHZQGK-WJEUDXBVSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSZHCGCZOYASN-WVBDYMQWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDDQMKSGJAXKB-UZFCQPTCSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUMIWRMQDWJGNU-IDIMAXLMSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLFHVTYMJDQGSQ-WFYUKQESSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGRUWACXISNBRQ-HFRJFDJDSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDTBBPOFAICKPN-OLBCGMQJSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAWCRLSQMDCJPJ-PVUNVYOASA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4775988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNAZYIMNDSKPTA-VXQIUBSWSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUIWSXCBCKMYNM-KBTGXBQNSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOC)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQQGLAPQACGOI-GFNOEGPYSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHXIMLQVUKNAAN-YTOKKCDHSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOC)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOECSGUTAUQGIB-YZCAGTBWSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBOLLNGHZWOSM-JEOOUUATSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@](C)(CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRYDTWIPSSXBP-DMRUZIJISA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWSKJCJNAIKNH-RTOMZYAZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMAXEWLXWJGSF-FRUVMYAQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4761000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRFRVZOYINOQSM-DZYLNUHTSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPITYDFCNZYPW-HESOAQJPSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTANYACIHNQWJA-HESOAQJPSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWRDSSURMAQTIO-GAKNAZBISA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVLDCAHCUHCGR-QFYFXYHTSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCJSKDITGRDPF-QVNMWILQSA-N", "SMILES:C/C1=C\\CC[C@@]2(C)O[C@@H]2C[C@H]2C(=O)C=C(C(C)C)[C@]2(O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4753441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCJSKDITGRDPF-FWTJQGADSA-N", "SMILES:C/C1=C\\CC[C@]2(C)O[C@H]2C[C@@H]2C(=O)C=C(C(C)C)[C@@]2(O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4753900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCUHXRTPOIZHQ-WZYDXASZSA-N", "SMILES:C=C1CC[C@@H]2[C@@](C)(C/C=C(\\C)CC[C@@H]1O)CC[C@@]2(O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNIBHYZFFURHB-ZNDDYAHGSA-N", "SMILES:C/C1=C\\C[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2C/C=C(\\C)[C@@H](O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4762903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNIBHYZFFURHB-VDCIMOABSA-N", "SMILES:C/C1=C/C[C@@H]2[C@@](C)(C/C=C(\\C)CC[C@@H]1O)CC[C@@]2(O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4781007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VREBFPVOIRCFAO-BOQPXBONSA-N", "SMILES:CC1=CC[C@H](O)[C@@]2(C)CC[C@@H]3[C@](C)(CC[C@@]3(O)C(C)C)C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4799525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOOFWTLRQULDDT-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKYTGFSKOZBPT-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFHDFNBPPRGEG-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEWSDZYNEXMELN-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFAJEXXOXAFES-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZAOTDUJXDMXSW-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1-c1noc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLDBVOKEECSAII-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNLUODHDGXUZKH-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)NC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSGOAQMGGLCTOS-UHFFFAOYSA-N", "SMILES:COC(=O)NC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKGKBXNTBPRTCQ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYOEHUUOCPGQU-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBXJYBHOVBFDA-UHFFFAOYSA-N", "SMILES:CONC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOEWESSTRFOKSN-UHFFFAOYSA-N", "SMILES:CCONC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKOPPMBCFQEHF-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)N(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGFFXIGIHATQNC-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZMDZNRNPQCRQ-DSBYRVASSA-N", "SMILES:Nc1cc([C@H](CCN[C@H]2C[C@@H](c3ccccc3)c3ccccc32)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWRTBUYSVKILQ-BQEUZBSESA-N", "SMILES:Nc1cc([C@H](CCNC23CCC(c4ccccc4)(CC2)CC3)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCJWTGGMJFGGC-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccc3ccccc3c2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULGOWJVPMGCES-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2cccc(C(F)(F)F)c2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYUQLSIZLCOREU-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2cccc(-c3ccccc3)c2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQNDXDFYKUZNPU-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(Cc2cc(N)nc3[nH]nnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUXAUJNGHXFEJP-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cc2cc(N)nc3[nH]nnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSDHKYHHPHTISH-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccccc2F)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHUJFRLKXDQMJQ-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccc(Cl)cc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUCPUCQOIPILNJ-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2cccc(Cl)c2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMBFAFPTCYGLJ-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccccc2Cl)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AECBIQFXACFWEM-UHFFFAOYSA-N", "SMILES:Nc1nc(Cc2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJIYSABUXQBDH-UHFFFAOYSA-N", "SMILES:Nc1nc(CCc2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCFOKFFOSYNQNP-OAHLLOKOSA-N", "SMILES:Nc1cc([C@H](Cc2ccccc2)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMOGAFYXZVTWSB-QGZVFWFLSA-N", "SMILES:Nc1cc([C@H](CCCc2ccccc2)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNBHYSWAZWACPR-QGZVFWFLSA-N", "SMILES:Nc1cc([C@H](CCOCc2ccccc2)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTHUGPXBLVLKIV-QGZVFWFLSA-N", "SMILES:Nc1cc([C@H](CCNCc2ccccc2)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGDPAPUWFOJAGX-MRXNPFEDSA-N", "SMILES:Nc1cc([C@H](CCNCc2ccccn2)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZCZZKXXSGTOG-MRXNPFEDSA-N", "SMILES:Nc1cc([C@H](CCNCc2ccccc2C(F)(F)F)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVUSPTTWBXHBNF-XLIONFOSSA-N", "SMILES:Nc1cc([C@H](CCN[C@H]2CCc3ccccc32)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLSTYRRJSRYCQ-QHWMMSMNSA-N", "SMILES:Nc1cc([C@H](CCN[C@@H]2CC[C@@H](c3ccccc3)c3ccccc32)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANLZEFFULAPVJO-NJDAHSKKSA-N", "SMILES:Nc1cc([C@H](CCN[C@@H]2CC[C@@H](c3ccccc3)C2)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHADCFXDVDQVFZ-CEMLEFRQSA-N", "SMILES:Nc1cc([C@H](CCN[C@H]2CC[C@H](c3ccccc3)CC2)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQKPMCSWFRWPE-SJBKTWHCSA-N", "SMILES:Nc1cc([C@H](CCN[C@@H]2CC[C@@H](c3ccccc3)OC2)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEMUZZPYFQYFE-UHFFFAOYSA-N", "SMILES:Nc1cc(C(CCNC23CCC(c4ccccc4)(CC2)OC3)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJFLOKSEQLPJRQ-JOCHJYFZSA-N", "SMILES:Nc1cc([C@H](CCCN2CCC(c3ccccc3)CC2)c2ccccc2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIFXHOUDDLZGRL-XPCYEKABSA-N", "SMILES:CN(CC[C@H](c1ccccc1)c1cc(N)nc2[nH]nnc12)C12CCC(c3ccccc3)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYMUUQLIGPEDY-URCVZGBWSA-N", "SMILES:Nc1cc([C@H](CCN(CCF)C23CCC(c4ccccc4)(CC2)CC3)c2ccccc2)c2nn[nH]c2n1"]}
{"name": "Eosinophil peroxidase", "xref": ["CHEMBL.TARGET:CHEMBL2438"], "id": "UniProtKB:P11678", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myeloperoxidase", "xref": ["CHEMBL.TARGET:CHEMBL2440"], "id": "UniProtKB:P11247", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPDBEVKURKEII-ZCFIWIBFSA-N", "SMILES:O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPFIVLHIBZXRKR-UHFFFAOYSA-N", "SMILES:CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDZRQPPPUOILEX-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3c4c(nn3C(C)(C)C)CCCC4)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBCSQTYQHKIFO-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3c4c(nn3C3CCC3)CCCC4)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEIIPIFVEMKMLA-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3c4c(nn3CCF)CCCC4)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIJIJDJQJHEOKP-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3c4c(nn3CCO)CCCC4)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJEQPNRMMOUJHW-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3c4c(nn3CCCO)CCCC4)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJZTYVZIOQGVJW-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3c4c(nn3CC(C)(C)O)CCCC4)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVYMEWFIIZLAAI-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3cc(C(C)(C)C)nn3C(C)C)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBDQNOOULZNVLL-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3cc(C(C)(C)C)nn3CCF)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULQTTXIVEXAAFE-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3cc(C(C)(C)C)nn3CC(F)(F)F)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEUKGZKAVGDKU-UHFFFAOYSA-N", "SMILES:CCn1nc(C2(C)CC2)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNFVPHNQVGXPKU-UHFFFAOYSA-N", "SMILES:CCn1nc(C(F)(F)F)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAWNVWBEHNFLCH-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3c4c(nn3C)CCC4)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBOJVNFJCLRIC-UHFFFAOYSA-N", "SMILES:CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHWMXAAFNYFAB-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3c4c(nn3CCF)CCC4)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZVCQVBPMDUMS-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3c4c(nn3CC(F)(F)F)CCC4)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTBDBTYOMWFUJL-UHFFFAOYSA-N", "SMILES:COc1nc(-c2csc(Nc3c4c(nn3CCO)CCC4)n2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXGQFQOUQCCDN-UHFFFAOYSA-N", "SMILES:CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NONHWESJQFIAJQ-UHFFFAOYSA-N", "SMILES:CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)C(C)CC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBHTARGFMGGBA-UHFFFAOYSA-N", "SMILES:CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OISHFYHRCHAYNK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNVTNQZTVZTHC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)c2cc[nH]c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGZXFZJCBJNICS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)c2ccoc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKPYTUBYBQCEMB-GFCCVEGCSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)[C@@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHPRXGGKKOZAK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2=COCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMAOSXFOMFFLAU-UHFFFAOYSA-N", "SMILES:Cc1occc1C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPCEEXLBUBPNZ-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPEQBFXQQMVCCS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CCCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKPYTUBYBQCEMB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3327067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYIFHGGYNPKLFC-LBPRGKRZSA-N", "SMILES:CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VROXFQMYCROQED-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFVUVQHGUDOKG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)c2ccoc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXUPAAYJURXJP-GFCCVEGCSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)[C@@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEPLGJAZCPSSS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2=COCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVVKIKYRNROXOE-UHFFFAOYSA-N", "SMILES:Cc1occc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYMQILIDMJGDS-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBBRKQCZFRYDY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CCCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKESASBPGZTTKO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)c2cc[nH]c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXUPAAYJURXJP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHRXHTKENPCGSZ-NSHDSACASA-N", "SMILES:CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRAAHOLDKYGTDW-NSHDSACASA-N", "SMILES:CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKMDSZIAXLIOM-NSHDSACASA-N", "SMILES:CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMFZXSDEQMDGCF-NSHDSACASA-N", "SMILES:CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHARQGGTXDVTFG-NSHDSACASA-N", "SMILES:CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRPFTDODKNTGE-NSHDSACASA-N", "SMILES:CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(OC(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYFENQWYLTXQO-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUXBEWJOYODXBO-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSKNUPYSLTOOQ-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHFQIYGMXETOA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBUSAMQQDAHRGB-LLVKDONJSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)[C@@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZCARYLQUBAOL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CCCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZWISUYRLCJYFG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLIOBUIKWINST-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIGBRXYVEOEPDV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWZREBWJHJAFL-LLVKDONJSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)[C@@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMJFVHUWVWIOY-NSHDSACASA-N", "SMILES:CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACVJGCBIANJAJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CCCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URTSWJJCYYAXTE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADMISGFYMIXOBJ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIMJHVKOIOUBM-UHFFFAOYSA-N", "SMILES:O=C(CC1CCN(C(=O)C2CC2)CC1)Nc1ccc(OC(F)(F)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBWBRIAGOMFVIA-LBPRGKRZSA-N", "SMILES:CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMXODCJBXSHGRQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGDKHFMCPOLGSQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BABUSVPCCWYOPF-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLMFYLPQZAFJLS-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJKZKIIDDOPGSL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJQITXYXNAMRC-MTKRSLOGSA-N", "SMILES:CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPRFUJBWNGVDR-NLWGHHDMSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1O[C@@H](COC(=O)CC(=O)O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYFFCAMRWYGBIT-MTKRSLOGSA-N", "SMILES:CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVIYAUPMLIYLDT-NLWGHHDMSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1O[C@@H](CNC(=O)CC(=O)O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCWBZKDYQYDFK-FYEULFKYSA-N", "SMILES:CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAICVKDJPIUPOP-UUPPINRVSA-N", "SMILES:CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CCCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMOPLKNVJFPAPB-KYWZPLQMSA-N", "SMILES:CC(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRQEYMOTNZNCS-JJNNYRRPSA-N", "SMILES:CNC(=O)[C@H](O)C(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNBQCQZEPQMFCL-YLSATLEASA-N", "SMILES:CNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNKSCRPOZETMX-MTKRSLOGSA-N", "SMILES:CC(C)(COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O)[C@@H](O)C(=O)NCCC(=O)NCCS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJOEKWQDUBAIZ-FRSQKNERSA-N", "SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O)[C@H](O)C(=O)NCCC(=O)NCCS"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTSHFARGAKYJN-FRSQKNERSA-N", "SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O)[C@H](O)C(=O)NCCC(=O)NCCS"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4752126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILWZMFJBPIYQKW-FRSQKNERSA-N", "SMILES:CCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4796307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKPJIXUEUCDST-UYRXBGFRSA-N", "SMILES:C(=N\\C1CCN(Cc2ccccc2)C1)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKBAZVFTGGGGC-XKZIYDEJSA-N", "SMILES:COc1cc(/C=N\\C2CCN(Cc3ccccc3)C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHPKJUFRLHDEU-UNOMPAQXSA-N", "SMILES:Oc1ccc(/C=N\\C2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZAYEKLSRQREBG-ODLFYWEKSA-N", "SMILES:Oc1ccc(/C=N\\C2CCN(Cc3ccccc3)C2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQULTPIKMYIGM-UNOMPAQXSA-N", "SMILES:O=[N+]([O-])c1ccc(/C=N\\C2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJVTBLXKNKWSB-FMCGGJTJSA-N", "SMILES:FC(F)(F)c1ccc(/C=N\\C2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSWKVMGDOWLBIK-FMCGGJTJSA-N", "SMILES:FC(F)(F)Oc1ccc(/C=N\\C2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTWYZVLQGXCINR-NDENLUEZSA-N", "SMILES:Clc1ccc(/C=N\\C2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGSUXMFHIVOEM-NDENLUEZSA-N", "SMILES:Fc1ccc(/C=N\\C2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQXXDQICIOZAL-NDENLUEZSA-N", "SMILES:Brc1ccc(/C=N\\C2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPWWFHANHHHDO-NHDPSOOVSA-N", "SMILES:Fc1ccc(/C=N\\C2CCN(Cc3ccccc3)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHEXKVGLZMEJRQ-UHFFFAOYSA-N", "SMILES:c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUJGEURJBFJMHI-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC2CCN(Cc3ccccc3)C2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYXPKAXGFWBJTP-UHFFFAOYSA-N", "SMILES:COc1cc(CNC2CCN(Cc3ccccc3)C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDPSYPPGBDUIX-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSWYGVWFRVORO-UHFFFAOYSA-N", "SMILES:Oc1ccccc1CNC1CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCCVVESLAYPODT-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNC2CCN(Cc3ccccc3)C2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVGFUSYIFGSSP-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMYHUHZQYKIDD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNLYSCYFKASFN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLGGQDQUFVCQL-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDAIEIUZXBLAW-UHFFFAOYSA-N", "SMILES:Clc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOXJBXAAJLNTO-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXBOKVMLFLTDR-UHFFFAOYSA-N", "SMILES:Brc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGCQOBTRUVMOI-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNC2CCN(Cc3ccccc3)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRATKIQYZCEHU-BKUYFWCQSA-N", "SMILES:COc1cccc(/C=N\\C2CCN(Cc3ccccc3)C2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSWOPXEHZPXIM-UNOMPAQXSA-N", "SMILES:Oc1ccccc1/C=N\\C1CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYCJYRXJNDDRY-MOSHPQCFSA-N", "SMILES:Cc1cccc(/C=N\\C2CCN(Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTFXTBQPNDATE-MOSHPQCFSA-N", "SMILES:Cc1ccc(/C=N\\C2CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZIRKSXWIPMIEW-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC2CCN(Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUOPIQHQMIVGOI-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCNC2CCN(Cc3ccccc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGPBRTYKAWBMD-UHFFFAOYSA-N", "SMILES:c1ccc(CC2CCCN(CCNC3CCN(Cc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRRURXYRHFLCA-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2C(=O)NCCCCn2ccc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPQLUDWJYWOBIC-UHFFFAOYSA-N", "SMILES:Cc1cn(CCCCNC(=O)c2ccccc2-c2cncc(C(=O)NCCCN3CCCC3)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJAOTIBSXDOPDZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2OC2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRQQAVKEBTBHO-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2OC2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQUSONOPQWQVOC-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2OC2CN(C(=O)CCc3ccc(Cl)c(Cl)c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQFMRQSQVAXDS-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLXZDTAKQQZSEM-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDQVURZQHZFYSY-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQCHLDUASAOIMJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPXNKLCYFDYRY-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWGYVPKCHOGKT-UHFFFAOYSA-N", "SMILES:NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2-c2cncc(C(=O)NCCCN3CCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYRDVBFYVDJJI-UHFFFAOYSA-N", "SMILES:Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSIFNZAFHOMNED-UHFFFAOYSA-N", "SMILES:Cc1cc(OC2CN(CCc3ccc(Cl)c(Cl)c3)C2)n(-c2cccc(C(=O)NCCCN3CCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWNLWSHCBCOFK-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2C(=O)NCCCCn2cnc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXURFXGBWMVYKR-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CC(Oc2ccccc2-c2cncc(C(=O)NCCCN3CCCC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QALZHCHWAPYCED-UHFFFAOYSA-N", "SMILES:N#CCC(=O)N1CC(Oc2ccccc2-c2cncc(C(=O)NCCCN3CCCC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYAMUWYRJVEQJR-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEZJKKVXIZRPG-RUZDIDTESA-N", "SMILES:O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)[C@H]3CCCN3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCRZCFPQUIDCRD-GXDHUFHOSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/c1c[nH]c3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL293776", "category": ["biolink:ChemicalEntity"], "name": "HISPIDULIN", "xref": ["InChIKey:IHFBPDAQLQOCBX-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL77588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEQOHMDRQUMMH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4755408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVGXZIYZZHIFQ-OEAKJJBVSA-N", "SMILES:COc1cc2c(c(OC)c1CC=C(C)C)C(=O)CC(c1ccc(OC)c(OC)c1C/C=C(\\C)CCC=C(C)C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQJVFVBKJRGPCB-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccncc2)oc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYPCEZOCNDCNO-KRXBUXKQSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(O)c(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSLMZWTRAVYAS-VMPITWQZSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccc(C(=O)O)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLEVPIDFNNFTHJ-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1cccc(O)c1)c1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL104255", "category": ["biolink:ChemicalEntity"], "name": "FLAVOKAWAIN B", "xref": ["InChIKey:QKQLSQLKXBHUSO-CMDGGOBGSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL345778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEDOAKSPIIOKFU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4744686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYUWUUBHKOFPC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1cc(-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUPVCWCINCFOKH-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(C)c1Nc1cc(-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQSYHGFDQHQMSJ-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(Nc2cc(-c3cccnc3Nc3c(Cl)c(OC)cc(OC)c3Cl)ncn2)c(NC(=O)C=C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHIIVOKGJMASBO-UKTHLTGXSA-N", "SMILES:C#CCN(C)C/C=C/C(=O)Nc1cccc(C)c1Nc1cc(-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSFOVRXVQVFSK-QTXLZRIBSA-N", "SMILES:OC[C@@]12C[C@@H]1[C@@H](n1ccc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTPLPRNNGBHPU-DRYZDSLUSA-N", "SMILES:CC(C)C(Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRTOZRNSWLTZJK-XRPRFISDSA-N", "SMILES:CC(C)[C@@H](Nc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGOKYPZTZLMZSB-QZUDQQPUSA-N", "SMILES:CSc1nc(N[C@H](C(C)C)C2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(CO)C[C@H]34)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSGRHTNIKJQJKJ-XRPRFISDSA-N", "SMILES:CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CF)C[C@H]12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBSRDKXQBJKNA-UHFFFAOYSA-N", "SMILES:CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(C(=O)NS(=O)(=O)N(C)C)cc3)c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZMJDOPWZIKHC-UHFFFAOYSA-N", "SMILES:CCCCCN(CCCCC)Cc1cc(C(=O)O)ccc1NC(=O)c1cc2cc(F)cc(NC)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRBYGGVWBJIBGB-UHFFFAOYSA-N", "SMILES:CNc1cc(F)cc2cc(C(=O)Nc3ccc(CO)cc3CN(CCO)C3CCCCC3)c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650360", "category": ["biolink:ChemicalEntity"], "name": "PULRODEMSTAT BESILATE", "xref": ["InChIKey:AWZCBGWZNHQCIZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(N)CC3)n(C)c2=O)cc1F.O=S(=O)(O)c1ccccc1"], "synonym": ["Cc 90011", "Cc-90011", "Pulrodemstat benzenesulfonate", "Pulrodemstat besilate", "CC-90011", "CC90011"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUOUFGLKGKXKSU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N)CC3)n(C)c2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPMAJMYBCEHQQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N)CC3)n(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFFPAIUTQJYMTC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N)CC3)n(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERXAPYUZDHLIF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(-c3ccc(C#N)cc3F)nc(N3CCC(N)CC3)c(=O)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZQUYIKUKRZLHE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(N)CC3)c(=O)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYMLFXVNGDTKW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N)CC3)c(=O)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGEVZUHIPGWVBV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(N3CCC(N)CC3)nc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANPYWBRCPZBYMQ-GGAORHGYSA-N", "SMILES:Cc1ccc(-c2cnc(N3CC[C@@H]4NCC[C@@H]4C3)nc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZDKAOVNFYTJM-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2cnc(C[C@H]3CCNC3)nc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTAPNOLOCQVRJ-ADBNLRDXSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H](C)C[C@@H]1CCCN1C(=O)CCCCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4752977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTAPNOLOCQVRJ-CTGPGXBASA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H](C)C[C@H]1CCCN1C(=O)CCCCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4742087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTAPNOLOCQVRJ-IORBJAGFSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H](C)C[C@@H]1CCCN1C(=O)CCCCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4760203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTAPNOLOCQVRJ-KNRRALAQSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H](C)C[C@H]1CCCN1C(=O)CCCCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4791503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTDEKVGZAHDBW-VOYMCKRGSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIRWZASCPFCPM-JCADPENRSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVUSUAURDJVNBX-BZLMVBMKSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QALHICXPUWAZPC-OSLVRNTLSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPECIIFFJRBDTJ-BZLMVBMKSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQMATLPHVOKIT-BZLMVBMKSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRISQOXBBKYGDA-CFQVQCHBSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHNYLHBSOJQLJW-KJZAHQTESA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEFKYOGPWBDWGY-KJZAHQTESA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJXAHOAKUETTQ-UNRNKIOXSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBYAIUQLMENJW-SFDSKYPQSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOPANVYUCBIIFM-KTQMALBNSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHIPKUOJRNJREY-SEGUFLMXSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1cccc(F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZZAJAZRYHASSH-USYAYNFISA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQVJIDIHHBUIFB-USYAYNFISA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHZSTLLWJFJTLC-NPKUERSCSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(C#N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVRSTTKJPOUOQH-USYAYNFISA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMLBBGAFJNSKA-XDZBLDGHSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFWMQDCIHCMWHS-USYAYNFISA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZCHHKYEOCEJP-USYAYNFISA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSOFJXYIAAOSEW-WWECBPANSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOSDEICHVNZDW-UNRNKIOXSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQWNNLOYGWFSCX-WLAIGLIVSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1c(C)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCJVBCNEVSAMT-ULSYIEMISA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(Cl)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDFJRYPRMSEZGL-USYAYNFISA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHIAYFVULHPKP-NBGRUEAGSA-N", "SMILES:COc1c(Cl)c([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)c(Cl)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3085153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZMCFYWOYIRWSO-LBBLGMBRSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)c(Cl)c(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL420565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZJLGKCNUIRGRX-TWUUUVDRSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3COC(=O)[C@H]23)OCO4)c(Cl)c(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJKCGXOHWHBQV-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVLIPSZXZKQHK-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(-c3cn[nH]c3)cc2ncn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBSMGFTNCQOMB-UHFFFAOYSA-N", "SMILES:CCCn1c(CNc2cccc(C(=O)NCc3c(F)cccc3F)c2)nnc1-c1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYTXBYXDLGJDO-UHFFFAOYSA-N", "SMILES:O=c1c2cc(-c3ccncc3)ccc2ncn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKHWCKJJPVRRM-UHFFFAOYSA-N", "SMILES:O=c1c2cc(-c3cn[nH]c3)ccc2ncn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWTWOCVSGDCEJ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(-c3cn[nH]c3)c(F)cc2ncn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBGWQNRBPPFHG-UHFFFAOYSA-N", "SMILES:O=c1c2cc(-c3cn[nH]c3)cc(F)c2ncn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZQSKKNYVZPFH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCMFMVGWKLJPNE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)c1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWMVVFIQIUAIKS-UHFFFAOYSA-N", "SMILES:O=C(NCc1c(F)cccc1F)c1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEDZRWBMRVNNP-UHFFFAOYSA-N", "SMILES:O=C(NCc1c(F)cccc1F)c1ccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUPPTSCUPIJOHR-UHFFFAOYSA-N", "SMILES:O=c1c2cc(-c3cn[nH]c3)ccc2ncn1Cc1cccc(Oc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYRSLZIPVXBPJ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(-c3cn[nH]c3)ccc2ncn1Cc1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYINSAOYPJZRPS-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ncc3ccc(-c4cn[nH]c4)cc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXASZODIJZRQH-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPVZTNRWSKNLLQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTAOVYOPRSNQC-CYBMUJFWSA-N", "SMILES:COc1cccc([C@@H](C)n2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTAOVYOPRSNQC-ZDUSSCGKSA-N", "SMILES:COc1cccc([C@H](C)n2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGOKZYYLQABONW-UHFFFAOYSA-N", "SMILES:CNCCC(c1cccc(OC)c1)n1cnc2ccc(-c3cn[nH]c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTPNCASLWUMFK-AKQCSJEBSA-N", "SMILES:CSCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CN)CSCc2ccc(cc2)-c2ccc(cc2)CSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASVCCOFSYJQTGW-NSCDODKCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)CN)CSCc2ccc(cc2)-c2ccc(cc2)CSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUISNPZPTTXMV-OJRDVGHJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MORNEKAJEPKXSK-KMIXGLJGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOZTFOMYNANNJ-MENBZCRBSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)C(CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLMAILQDCHVMU-KZDMWKONSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWWAQANXPTOLS-GAJCHSJVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSCC(=O)NCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSGLJORYTIPIKT-CWFZFXKDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVQZZSKATUYHEC-UZNRWNHWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFSNAJLHRKGRR-PLWNBHSFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYDPWXBBGPHHHN-DLGKLPKTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYGWLRRBJCSNDB-ZDUSSCGKSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRDBTFKFVEHCQ-ZDUSSCGKSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQSGXGRANQGLE-JTQLQIEISA-N", "SMILES:CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKFZWJFQHSGCNX-NSHDSACASA-N", "SMILES:CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKMIDRIETCFLCH-KRWDZBQOSA-N", "SMILES:CC(C)(C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFHCBRWUVWGFHZ-INIZCTEOSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEIUVZVWLANUJJ-MRXNPFEDSA-N", "SMILES:N#CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHXWBMSCJPIFY-AWEZNQCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWKWYVVPOVTWLO-OCCSQVGLSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNNYRSILELJUBF-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)C1(NC(=O)c2ccccc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBLZEJXWLGTQI-UHFFFAOYSA-N", "SMILES:N#CC1(NC(=O)C2(NC(=O)c3ccccc3)CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOUDTRXHGQUIW-SFHVURJKSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDXJMPRQUCWKKV-INIZCTEOSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZPMXILNYZNSNC-QFIPXVFZSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPZDXPVDRAUNJR-AWEZNQCLSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDYXWUFGMGEPIT-ZDUSSCGKSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJRIHEGJRAJLIX-HNNXBMFYSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cncc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOUBIOBIGLBKBZ-ZDUSSCGKSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOAGXRGCJTSSK-ZDUSSCGKSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSMLPIYQCUVDDG-LBPRGKRZSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJRINHGQAHHCG-HNNXBMFYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDHQPCCEQRRCZ-INIZCTEOSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPKPKHKNVWVBV-LBPRGKRZSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWZVHIYHXTNRV-LBPRGKRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)C(=O)NCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZRVIHRERYCHBL-HNNXBMFYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSUGJHDCNKZEDV-ZDUSSCGKSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAXVWBSYFHNJM-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIPHHRWWVGULC-KRWDZBQOSA-N", "SMILES:CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCFIRXUXLURQKO-AWEZNQCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)C(F)(F)c1ccccc1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYVVSFEHFJIEI-INIZCTEOSA-N", "SMILES:CC(C)C[C@H](NC(=O)C1(c2ccccc2)CC1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBHYROCBRFPCV-INIZCTEOSA-N", "SMILES:CC(C)C[C@H](NC(=O)C(C)(C)c1ccccc1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWGYOEFAMBIJPC-INIZCTEOSA-N", "SMILES:CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(C)(C)C)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAGZEGAZKAPJPQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1728093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIHDAALNSWSNQF-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CCN(Cc2c(C)[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERNNHAFUOTKPJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXEVBSFWGCDHGL-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccccc4Cl)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELUTJYSQLDGTC-QXUDOOCXSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAAQRCOSHIIOQD-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NCCc4ccccc4)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYJMYNCSMOLKY-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNXFQMLUOXHBI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUDXXGLFEVBDME-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NNC(=O)c4cccc(C)c4)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFOCUZOOTYLYIC-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKGGJVJUQLQSLO-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4Cl)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKIJVZYIYLQZNN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccccc4F)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQNSTWAZMTYBR-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C)cc4C)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJGGUVDXMJGDB-QNKGDIEWSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccccc4)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSVZQRICGCUGIX-QXUDOOCXSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccccc4F)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJNIJAVSIQUCP-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NNC(=O)c4ccccc4F)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTKBLUVWSMOXQU-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NC4CCCCC4)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJGJSWLTLXZMRC-GSNINTCBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC1CCCCC1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTUKXGLLDCYVCK-HFBSWMIKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGKSDONDRFMHDB-SCDBPOTISA-N", "SMILES:C#CCOC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBPESIMWPZUPO-SCDBPOTISA-N", "SMILES:C=CCOC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFPQMHJTEAHDCI-MQHAVPDFSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRZCSUSVOVMCI-NUISNXNRSA-N", "SMILES:C=CCOC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYNLSHVWRBGDAV-KECWCRPSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCCC1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOHIKSEQZUJRV-SCDBPOTISA-N", "SMILES:CCCOC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULYTWZQUBQYFX-NQTIFDCTSA-N", "SMILES:CCOC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777223", "category": ["biolink:ChemicalEntity"], "name": "PF-00835231", "xref": ["InChIKey:QDIMHKWNHMVDJB-WBAXXEDZSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)cc12"], "synonym": ["Pf-00835231", "PF-835231"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLGCSOKKBWHJMB-HHHXNRCGSA-N", "SMILES:OC1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPXNCADDOOFPA-BONSOQDYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCCC(=O)N4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWANKJAOTQAHHR-KWRHIPAJSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCC(=O)N4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTBHAYAYGBSHCF-IFDNYZKCSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(NCCCCCC(=O)N4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INNUOJBTOZECFW-BONSOQDYSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCC(=O)N4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274009", "category": ["biolink:ChemicalEntity"], "name": "2-NITROANILINE", "xref": ["InChIKey:DPJCXCZTLWNFOH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1[N+](=O)[O-]"], "chembl_natural_product": true}
{"name": "Transcriptional activator protein LuxR", "xref": ["CHEMBL.TARGET:CHEMBL5351"], "id": "UniProtKB:P12746", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:668"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGQDJJOVVKDXOQ-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLKAJJMNWDDHHM-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBTCHCWUNMZNEO-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADSWYIEDNZIEB-UHFFFAOYSA-N", "SMILES:CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDYUSOWFWKVTD-UWJYYQICSA-N", "SMILES:CC(C)CN1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3n[nH]c(N)n3)CC2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNJYIOCKJBQLY-FQEVSTJZSA-N", "SMILES:Nc1nc(N2CCC(N3Cc4ccccc4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQWHBQYUWSARDT-INIZCTEOSA-N", "SMILES:Nc1n[nH]c(N2CCC(N3CCOC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQQKVCFHEQIIGA-QGZVFWFLSA-N", "SMILES:Nc1n[nH]c(N2CCC(N3CCCC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZUIJXVLDHFRC-INIZCTEOSA-N", "SMILES:Nc1n[nH]c(N2CCC(N3CCS(=O)(=O)C[C@@H]3Cc3ccc(Cl)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCLUAVYESDINX-KRWDZBQOSA-N", "SMILES:CN1CCN(C2CCN(c3n[nH]c(N)n3)CC2)[C@@H](Cc2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAOSQRQPFLBJGF-HNNXBMFYSA-N", "SMILES:Nc1n[nH]c(N2CCC(N3CC(=O)NC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788866", "category": ["biolink:ChemicalEntity"], "name": "5-(4-((2S,5S)-5-(4-CHLOROBENZYL)-2-METHYLMORPHOLINO)PIPERIDIN-1-YL)-1H-1,2,4-TRIAZOL-3-AMINE", "xref": ["InChIKey:STWVLEKJQQRGMO-GUYCJALGSA-N", "SMILES:C[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"], "synonym": ["5-(4-((2s,5s)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-1h-1,2,4-triazol-3-amine", "Glpg4716", "GLP 4716", "OAT 889", "OATD 01", "OATD-01"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STWVLEKJQQRGMO-DYVFJYSZSA-N", "SMILES:C[C@@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTWHZKOJJZOTCX-ROUUACIJSA-N", "SMILES:CC[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQIIIUOZLYSBOY-RBUKOAKNSA-N", "SMILES:CC(C)[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBVZHROMXPRJA-PMACEKPBSA-N", "SMILES:CC(C)C[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFCCGJZRWCEETB-DLBZAZTESA-N", "SMILES:Nc1n[nH]c(N2CCC(N3C[C@H](CO)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVRGNYALCRXIME-ZWKOTPCHSA-N", "SMILES:CC(C)(O)[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CASGKNKGRHYUAE-ZWKOTPCHSA-N", "SMILES:COC[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNCNMQLYFVHNO-DLBZAZTESA-N", "SMILES:CNC(=O)[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"name": "Chitotriosidase-1", "xref": ["CHEMBL.TARGET:CHEMBL4105845"], "id": "UniProtKB:Q9D7Q1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTRORKWARLPMC-HNNXBMFYSA-N", "SMILES:Nc1n[nH]c(N2CCC(N3CCNC(=O)[C@@H]3Cc3ccc(Cl)cc3)CC2)n1"]}
{"name": "Acidic mammalian chitinase", "xref": ["CHEMBL.TARGET:CHEMBL2052027"], "id": "UniProtKB:Q91XA9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3548140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCUJTSZBVCUGF-UHFFFAOYSA-N", "SMILES:NC1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCUJTSZBVCUGF-AWEZNQCLSA-N", "SMILES:N[C@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCUJTSZBVCUGF-CQSZACIVSA-N", "SMILES:N[C@@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQKKQIWBXBICW-UHFFFAOYSA-N", "SMILES:NC1CCc2nc(-c3cccnc3)nc(Nc3cccc(F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTHVUHPQRTUKHV-UHFFFAOYSA-N", "SMILES:NC1CCc2nc(-c3ccncc3)nc(Nc3ccc(F)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVCYJMSOXNZEC-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(-c3ccncc3)nc3c2CC(N)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXSRLUXTFDZCF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccncc3)nc3c2CC(N)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDEQIWLWJUDFKG-ACHIHNKUSA-N", "SMILES:CC(C)(C)ONC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRIFSYJGABRYAX-SVBPBHIXSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWRWHYRQCRMKPF-LVXARBLLSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBGAOSBYWNSPB-CPJSRVTESA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYNMJVLQDGCUHD-CPJSRVTESA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPUAYZYRCNPBF-CYFREDJKSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSSXOWVNOPLFT-DQEYMECFSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOIVTHBYSQAHEL-DQEYMECFSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2c1NCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJKDXPWDNXESBV-ZEQRLZLVSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBOMYXPMKWSMW-GOTSBHOMSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGYGILCPCKTDJR-CUNXSJBXSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBUOCVHTMRQOA-CPJSRVTESA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)Cc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCNJRQNHENAETI-KSSFIOAISA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)C(F)(F)F)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMQANFBEKPIIDG-UWJYYQICSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)c1cnccn1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSHPYDBGCJZAJ-CVDCTZTESA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CN1CCOCC1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZJXWINHMJGKOE-KKSFZXQISA-N", "SMILES:Cc1nc(C(=O)N[C@@H](CC(=O)NOC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2cccc3ccccc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQHYJYUKFXYOJB-UWJYYQICSA-N", "SMILES:Cc1cc(C(=O)N[C@@H](CC(=O)NOC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2cccc3ccccc23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCQUUXMHTLIPBD-CYFREDJKSA-N", "SMILES:COC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOMPNQUWYSXRAY-VMPREFPWSA-N", "SMILES:NC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVKSIWAHNBTFT-LQJZCPKCSA-N", "SMILES:CC(C)(C)CNC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXKNAIWDQPGLU-FNZWTVRRSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NC1COC1)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEJUIOZTFBSJR-SVBPBHIXSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)N1CCC1)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCQOTABBXMKKBW-UIOOFZCWSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXXQNRGFBZKES-NSOVKSMOSA-N", "SMILES:CCN(CC)C(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](COC)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMOOGOWOLJYSG-NSOVKSMOSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFBJQCJVXAHYAP-VMPREFPWSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)N1CCCCC1)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZFFSQNYXGCHKO-SVBPBHIXSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBHPVNERAEAAG-NSOVKSMOSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXKIGCBGKZOYEX-CUNXSJBXSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKFHXQPKLJWJC-IDISGSTGSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1ccc(F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAWXOGEFDKREO-FNZWTVRRSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1ccc(F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHUGWHDKPJKEDN-SIBVEZHUSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLBWDRBVUDASR-JTSKRJEESA-N", "SMILES:Cc1cc(C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLCOSLBQYAHEIH-KKSFZXQISA-N", "SMILES:Cc1cc(C(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPQHJMLLZWUXPV-GMAHTHKFSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBLLMNLVAOHQW-UPVQGACJSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELXPBMGLQXLAD-GMAHTHKFSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YROCKOFXGKCYAZ-LVXARBLLSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUXNSXPUPXHIK-FNZWTVRRSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZLXBVALAQEIC-DFBJGRDBSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACKUOPORWYFMTA-SVBPBHIXSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVZOBDMQGYCEAF-UIOOFZCWSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYFVAJZXGMYBL-RFAUZJTJSA-N", "SMILES:Cc1cn([C@H](C)[C@@]2(F)CCNC2)c2nc(C(N)=O)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYFVAJZXGMYBL-BJOHPYRUSA-N", "SMILES:Cc1cn([C@@H](C)[C@@]2(F)CCNC2)c2nc(C(N)=O)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYFVAJZXGMYBL-VFZGTOFNSA-N", "SMILES:Cc1cn([C@@H](C)[C@]2(F)CCNC2)c2nc(C(N)=O)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYFVAJZXGMYBL-PSLIRLAXSA-N", "SMILES:Cc1cn([C@H](C)[C@]2(F)CCNC2)c2nc(C(N)=O)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACLTRJMGHVCIN-FOGDFJRCSA-N", "SMILES:Cc1cn([C@H](C)[C@H]2CCNC[C@@H]2F)c2nc(C(N)=O)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACLTRJMGHVCIN-JFGNBEQYSA-N", "SMILES:Cc1cn([C@H](C)[C@@H]2CCNC[C@H]2F)c2nc(C(N)=O)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACLTRJMGHVCIN-HOSYDEDBSA-N", "SMILES:Cc1cn([C@@H](C)[C@H]2CCNC[C@H]2F)c2nc(C(N)=O)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACLTRJMGHVCIN-NHCYSSNCSA-N", "SMILES:Cc1cn([C@@H](C)[C@@H]2CCNC[C@@H]2F)c2nc(C(N)=O)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCPVXTUSCIJHM-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQJAXVKLFEHMC-UHFFFAOYSA-N", "SMILES:CN1CCN(CC2CCN(c3nccc4[nH]c(-c5cc(F)cc(F)c5)cc34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCAUJOZXAQLSAJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc3c(N4CCC(CN5CCOCC5)CC4)nccc3[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXWJZSHSMWBASB-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc3c(N4CCNCC4)nccc3[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCOUZEJFQSWBOO-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)C2CCN(c3nccc4[nH]c(-c5ccc(F)c(F)c5)nc34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUMFFOGIZRNZED-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(-c2nc3c(N4CCC(CN5CCN(CC(F)(F)F)CC5)CC4)nccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSUSVNKTNSHFDB-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)C2CCN(c3nccc4[nH]c(-c5ccc(F)c(F)c5)cc34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDBFUCNDDHVBIO-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3nccc4[nH]c(-c5cc(F)cc(F)c5)cc34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQZJKNDTRBHGJ-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2nccc3[nH]c(-c4cc(F)cc(F)c4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNWFSHGFKNSDC-UHFFFAOYSA-N", "SMILES:CN1CCOC2(CCN(c3nccc4[nH]c(-c5cc(F)cc(F)c5)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMRGOUJXRPQDQ-ZGIBFIJWSA-N", "SMILES:CC(=O)N[C@@H](CCCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGIMJXVXZNOYGC-NLDZOOGBSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKLESMJTPJPHG-MJSOWUPRSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKIOJCJCRVPEA-FRXPANAUSA-N", "SMILES:COc1ccc(CCC[C@H](NC(C)=O)C(=O)N[C@H](CCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQWPNPZLIZMFW-FCEKVYKBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWJGPAGHBDEIK-NLDZOOGBSA-N", "SMILES:COc1ccc(CC[C@@H](NC(=O)[C@H](COCc2ccccc2)NC(C)=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESRLOCFVUHCCL-FCEKVYKBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBYIQYTSAGFJC-FCEKVYKBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AERJIAPWRCAHES-FCEKVYKBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYRBZQBYHYZNW-OCBJUFRSSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOAIUHCEGYHOIP-FCEKVYKBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZJOISUAVMIXBZ-NLDZOOGBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccc(C)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXRXMZLLDEGQU-FCEKVYKBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1cccc(F)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYVDHVFMVTUIU-FCEKVYKBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOFEJYDIJTJLG-NLDZOOGBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1cccc(C)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFZVHASHWASBFZ-FCEKVYKBSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1F)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSGOFTQPNYNSIT-CYXNTTPDSA-N", "SMILES:CC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccc(F)c(F)c1F)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKLKFFTOIIFPI-LBFZIJHGSA-N", "SMILES:COc1ccc(CC[C@@H](NC(=O)[C@H](CCCc2ccccc2)NC(=O)CN2CCOCC2)C(=O)N[C@H](Cc2ccc(C)cc2)C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTSRUQZMSISFH-BMPTZRATSA-N", "SMILES:COc1ccc(CCC[C@H](NC(=O)CN2CCOCC2)C(=O)N[C@H](CCc2ccc(OC)cc2)C(=O)N[C@H](Cc2ccc(C)cc2)C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKAIHDAGQJQAHA-QGZVFWFLSA-N", "SMILES:COC(=O)Nc1ccc2oc3cc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)ccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORQNLHEKKTSGM-RAHDMFITSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc4ccccc4)NC1=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4762101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZMOXFKYMKBMN-AJCHLPFXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)CSSC[C@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc4ccccc4)NC1=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C3=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4742779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMJBZSFNVSAWKO-GSMQILRFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N3)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4752642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTSSJQUIRGMHJS-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNc1c(NCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBUBKXVXDHVBG-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNc1c(NCc2ccc(Nc3ncc(Cl)c(NCc4cccnc4N(C)S(C)(=O)=O)n3)cc2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTADFAXGWGDWNE-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNc1c(NCc2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4C(=O)NC)n3)cc2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMFURWCSXCSMM-XSFVSMFZSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)/C(C#N)=C/C(C)C)c(=O)c3=O)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWOGVFPKZAVELA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)CCl)c(=O)c3=O)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLQZOXWVMSLRF-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNc1c(NCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NOC)n3)cc2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGKHLLCLKOKDW-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNc1c(NCc2ccc(Nc3ncc(Cl)c(NCc4ccccc4N(C)S(C)(=O)=O)n3)cc2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQNOYIPSABRTIU-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNc1c(NCc2ccc(Nc3ncc(Cl)c(NCc4cccc(N(C)S(C)(=O)=O)c4)n3)cc2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZUIZEJFTKKNAR-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNc1c(NCc2ccc(Nc3ncc(Cl)c(NCc4cccc(S(C)(=O)=O)c4)n3)cc2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBGTILJJXERHB-KPSZGOFPSA-N", "SMILES:CC/C=C(\\C#N)C(=O)NCCNc1c(NCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTYSXVNDTBLJBP-XSFVSMFZSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)/C(C#N)=C/C4CC4)c(=O)c3=O)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WASVOWHKQQFANQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(-c2nnco2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHFCUIERCCSHO-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(Cl)c(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKGIMWQJPJQMLA-UHFFFAOYSA-N", "SMILES:CN1CCN(C)c2cc(-c3n[nH]c(=O)o3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCLLEIZPONKHSZ-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(-c3n[nH]c(=O)o3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLNBXODCBJHBSU-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(-c3n[nH]c(=O)o3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVOMDJHPNHDZQH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2n[nH]c(=O)o2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTDFLBMBGFDWJT-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(C(F)(F)F)c(C3CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHYRDZBYWMXBAW-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(C3CC3)c(C(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQQVCVDTXTOAX-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2n[nH]c(=O)o2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMPSJXYQOACKS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2n[nH]c(=O)o2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBOPUCCCOEMDA-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(Cl)c(C(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOMZJZLXDZFENX-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(Cl)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJOLJDYGHGSUMI-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2n[nH]c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADUFTMJBLYUADS-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSWXEZXMXAVUMH-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2n[nH]c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRYGGQXFJDSZLH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAPSULCRMMWHDW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2n[nH]c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRSLAQHKCXLSV-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEJQCNOFQQWSC-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(C(F)F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHGGXFIVHICQX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2n[nH]c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHMAEDSRHFCIW-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2n[nH]c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQMPALFPYZWPO-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(C3CC3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMIIGQRXSBEEX-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2n[nH]c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYYZGRGLBXGSSQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2n[nH]c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJHOBBCSKKRRBE-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYZAXOHZJFQTP-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2n[nH]c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTWANCXBHRTPL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2n[nH]c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLMGJHHMFZDTL-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2cccc(C(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLFYANMOKILQT-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2cccc(C(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDQWZFSUDJBQW-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2cccc(C3CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCDNQEHKDVYJAB-UHFFFAOYSA-N", "SMILES:CCc1cccc(-c2n[nH]c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCUHRQSGWGCCI-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2n[nH]c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIAHKLKFENXQJK-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2cccc(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHVMBKWFKRQHP-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNNOHWTUDBBCPR-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccccc2C(F)(F)F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNMIXYJTZWBBCA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nnc(O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLMQTZJXSLUBV-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccccc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSCRXHWRAQVFTE-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJQGIYJJLWZJP-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWXLIIVSXHAOP-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2c[nH]nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3277006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLYXFWMNCVTAMQ-UHFFFAOYSA-N", "SMILES:Oc1cc(-c2ccc(Cl)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBXCIADJXVFGAL-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPFADJVBJNWTOJ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(Cl)cc2)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDPCLSVTANELZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLGKHQCZJWOXGO-UHFFFAOYSA-N", "SMILES:Clc1ccc(-n2cccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKWCLGRWPWSMD-UHFFFAOYSA-N", "SMILES:Clc1ccc(-n2ccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOIRXFZFSPXHIM-UHFFFAOYSA-N", "SMILES:OCc1nc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOEQMFXGWDOSMJ-UHFFFAOYSA-N", "SMILES:OCc1noc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZJYBNBHJONRLK-UHFFFAOYSA-N", "SMILES:OCc1nnc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CITYOBPAADIHAD-UHFFFAOYSA-N", "SMILES:OCc1cc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPAFLGGUEBMWRN-UHFFFAOYSA-N", "SMILES:OCc1cc(-c2ccccc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWDFLHOXYNQZTE-UHFFFAOYSA-N", "SMILES:OCc1ncc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMYKCTGZPVOOLN-UHFFFAOYSA-N", "SMILES:Cc1c(CO)nnn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1482091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAHIFLPAMJOAGI-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTYYFZCQCKEYKG-ZETCQYMHSA-N", "SMILES:O=C(O)[C@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBECCCOWIVLWDK-UHFFFAOYSA-N", "SMILES:NC(=O)NCCc1c[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGKOVWIBDZMJPN-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBKQIMLGMAWTC-YLHUJIBKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUTDCUZFUNETNA-DYQRJDKPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTQVJVCTPMBCZ-ZKANNDIPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFVDSBQONBMGM-DUEVGJDLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQUVIVJMSHEUDM-NQPLFVTKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAWRGKKPFVSWHU-CZEFMNGMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLQRADXUQWRKFR-WJRXFSMISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXXGMXKBZOAIQ-UJTCAOKRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVANHDDYPSFCZ-AVYDOBKESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRFJCKWAOZMLB-PUFVLVKLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDLYNMZIKOCCZ-DUEVGJDLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGMRYCMUWMEJS-NADXQWBBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWONLGBYXUDVPM-PUFVLVKLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCENBBZFNOBTNH-NNZLFGJRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAKADZXNHKYZGL-MQTDOAGBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKXHZHXNGKZLSQ-QLVBAEIESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPFBNXUKLRKTP-IISPIPJLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZSSWUIIRNXOZ-AIXQRLHESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWVDFGSCLBSGT-VZEVERLJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXPRYGHDLUCKIY-RXVGRZFWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYSVNHCLIHQPX-NEQZCLALSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMFDAYGJXKFGX-YUWBKTNNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMRXVMCJRCXFF-IULJXMRLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRIDSVGIMZVWPU-IISPIPJLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCVCUJYROPCOIS-FEKUQCGBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSHNTQKJXOYBSM-IULJXMRLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRDRBAFQAUTJTB-ISXITCGMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTKDJWZVKIXDJB-QEYYYGMBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@](C)(N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCARNWLANHPYFC-KZDCEYKBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPMTBOKZCDOTH-SKXNPELXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGTWHVTTMPRKK-MJGUZQCTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFRLYLQMSSEVHS-LGBNIEFZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCCLHPVSLRITMY-WGCRNCNPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)O)C(C)C)C(C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYCEEVWLFNMRP-NWGHDJNESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPAGABXQBJOTBM-DBDONQABSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHYYNSAPTVKEK-YWTNGVHBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPOVPKGLXYYHAH-SKXNPELXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCJASWZABNIVQV-MLOODFEVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACCTBOUQAUNJX-DXGYTEMZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBESYBJCRRZHKO-ZWYWDEOFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSGPONOPFMCYNS-ZWYWDEOFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJNUQKMQGRUFC-GWNHAKGYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDHTDWKOVOUMA-GWNHAKGYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDCHENRIACOJGE-SPBKKYETSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCHCDDPIXZKDK-SPBKKYETSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIDTUABXBJOCR-OQAOKTIYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGYNMVKALXZNW-ZFYVTTCASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NCCCCC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)NC1=O)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLGQEVQVSHYAF-LJLQTVJLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXOPOHMKXQKGHD-JGEDPTSESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBZRCOZVZZKSU-OGNUMGNKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNIQIOUWVDDUSE-GGXPHKMXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYQTKYTEOTGRS-WFIJLYQTSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYMNEJCRQDODN-WFIJLYQTSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDPGHHYVEDWQTR-UIBOBZCFSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLHDTFYAHRSEIU-UIBOBZCFSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(N)=O)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIRGPKPUCMTLMM-SIQFBCDDSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMZEZKJQSQISY-SIQFBCDDSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC3CC(=O)N(CCC(=O)N1)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOMXHUBGVOEOU-DBLZCMPISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMWAJAJCQNMKD-DBLZCMPISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)NC1=O)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDTISFHSOWKKDK-ADMBIWOISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZACNUADLZYETH-ADMBIWOISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NCCCCC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(N)=O)NC1=O)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIKSVZJELWOPOX-BWGWSLMYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYZAYELCCUOCEY-BWGWSLMYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPORSTJVOYJELF-OBEPUCOJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTFFPPWVZWGIQN-CFPWCYFOSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)NC1=O)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUAXMBPXHPSMB-KYZXUCSASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNJFMRIFYMEYIL-GQEVNONFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NCCCCC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(N)=O)NC1=O)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQQCSNKQRQOKLQ-PDFMZBKLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUINOSWKOIECET-GIFHNTCUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOQNHWCIIINDX-JPAYUMJYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRYSTUZXGZJDCV-NDFHKYBDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)NC1=O)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSYPJHDWUKEPT-GEISNHDDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDRYDGXCSRZCU-JAUKVJBHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NCCCCC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(N)=O)NC1=O)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZYLKRKABILHKY-RLEOURPZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc4c[nH]cn4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C3=O)C2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJPEXNPYGZYSN-PBWQWMTCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)CSC2CC(=O)N(CCC(=O)NC(C(=O)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCCNC(=O)CCN3C(=O)CC(SC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O)C3=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDQQAXHVYUZIW-NFMCJANESA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4752331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLSWIYLPEUIQAV-VMBHQQOKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4786457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWYYKSMCHFQAGF-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cc(-c3ccnn3C)cc3cc(C(C)=O)oc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSKTYBCPRYLSH-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSRHIMAVYBGQCV-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASCKNJDMUVOKCW-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXNLPXGYNCZMPX-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTSATIPZYKDAN-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZGEAQJANHKPT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(F)cc2OCc2ccc(CCC(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTJFMJRAYXBLOZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NONWGVIIVFJKJK-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSLOUTYTZBNWCX-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZTLAGGCPZDEOE-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccc(O)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRVNRBZYUNWGZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(F)cc1OCc1ccc(CCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPGBXHWIQNZEJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQWXSZWFLYJOE-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHCNWQVFTNLDJV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROYHDRHYSCXBH-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQDWJMZFFRYYMX-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTBWBHMWBIXEQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPQDAWBHQTYLF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(F)cc1OCc1ccc(CCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FROMBFNPGOZGFH-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(COc2cc(F)ccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRSYGMGLIIMIBP-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1OCc1ccc(CCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGGMBKNAGTJNM-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1OCc1ccc(CCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAZYSPXPKMRCHP-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBUMSWYJVFITQ-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccccc2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUEZHFSLUMISQG-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(COc2cc(F)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLIOSUKEZPTCF-UHFFFAOYSA-N", "SMILES:Nc1ccc(NS(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207881", "category": ["biolink:ChemicalEntity"], "name": "GW9508", "xref": ["InChIKey:DGENZVKCTGIDRZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIRSBCZIOGNVFR-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccc(Cl)cc1Br)Nc1ncccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIRIKLIGAKEPKZ-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccc(Cl)cc1Cl)Nc1ncccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL143112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHZHOONHFJSKI-UHFFFAOYSA-N", "SMILES:S=C(NCCc1ccccc1)Nc1ncccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGLLJXXZDBFPCN-UHFFFAOYSA-N", "SMILES:Oc1c(Br)cccc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSWRUZSGHZDWJW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cc(Br)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRJMFZJHJZRJJ-ZCOUFJIGSA-N", "SMILES:C[C@H]1[C@@H]2C[C@@]3(O[C@H](CCC3(C)C)CC(=O)O[C@@H](CO)CC(=O)O2)O[C@@H]1CCCCc1cccc2cc(O)ccc12"]}
{"name": "Protein kinase C alpha type", "xref": ["CHEMBL.TARGET:CHEMBL2567"], "id": "UniProtKB:P20444", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYJMTSCGSQKTJV-VLGTXWHFSA-N", "SMILES:C[C@H]1[C@@H]2C[C@@]3(O[C@H](CCC3(C)C)CC(=O)O[C@@H](CO)CC(=O)O2)O[C@@H]1CCCCc1cccc2cc(OCc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUUCOGOCNKRILP-FABSDPEHSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC/C(=N\\Nc5ccccc5F)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHHHUVIEQILSIP-AUYNSLCPSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC/C(=N\\Nc5cccc(F)c5)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDSOOWKBLYBTQN-AUYNSLCPSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC/C(=N\\Nc5ccc(F)cc5)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQJRBPIYOHNHD-AUYNSLCPSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC/C(=N\\Nc5cccc(Cl)c5)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOGMTNXIZDSBOM-AUYNSLCPSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC/C(=N\\Nc5ccc(Cl)cc5)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTIPQWXRWHHTFZ-DLNZCGFQSA-N", "SMILES:Cc1ccccc1N/N=C1\\CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@]5(C)CCCC(C)(C)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAGXJOLLCUZAGT-IJMUJFHTSA-N", "SMILES:Cc1cccc(N/N=C2\\CC[C@]3(C)[C@H]4C[C@@H](O)[C@@H]5[C@@H]([C@@]6(C)CCCC(C)(C)O6)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHSGYGSNCPPIKA-IJMUJFHTSA-N", "SMILES:Cc1ccc(N/N=C2\\CC[C@]3(C)[C@H]4C[C@@H](O)[C@@H]5[C@@H]([C@@]6(C)CCCC(C)(C)O6)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHUIZXMYUOBEM-SSLOASEISA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC/C(=N\\Nc5cccc([N+](=O)[O-])c5)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBROIZGILLQPNF-IXYQXGNYSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC/C(=N\\Nc5ccc(F)cc5F)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKTYOZOUFBLQY-OUVAQKMOSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)Cn2nnnc2-c2ccc(Cl)cc2)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UATKQINXQCVKGH-NTQKMEGHSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)Cn2nnnc2-c2ccc4c(c2)OCO4)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZKGQQFUQVOTH-YPXOKZSOSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)CNc2nnn[nH]2)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUCRJWZSRWOSAE-VJBHEIEKSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC(=C\\c5ccccc5F)/C(=N\\NC(N)=O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRIJLMJBSLQGIG-KTYLWDGXSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC(=C\\c5cccc(F)c5)/C(=N\\NC(N)=O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSCCDJRSUZOPZ-LYGYVDOWSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC(=C\\c5ccc(F)cc5)/C(=N\\NC(N)=O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UANFMDHKYQKUKI-LYGYVDOWSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC(=C\\c5ccc(Cl)cc5)/C(=N\\NC(N)=O)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRZWCNIUCYKNF-ZVKBLICTSA-N", "SMILES:Cc1ccc(/C=C2\\C[C@]3(C)[C@H]4C[C@@H](O)[C@@H]5[C@@H]([C@@]6(C)CCCC(C)(C)O6)CC[C@@]5(C)[C@]4(C)CC[C@H]3C(C)(C)\\C2=N\\NC(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBFSYDVXSBBIBE-LYGYVDOWSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC(=C\\c5ccc(F)cc5)/C(=N\\NC(N)=S)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTPDYYSEYQNSS-ZVKBLICTSA-N", "SMILES:Cc1ccc(/C=C2\\C[C@]3(C)[C@H]4C[C@@H](O)[C@@H]5[C@@H]([C@@]6(C)CCCC(C)(C)O6)CC[C@@]5(C)[C@]4(C)CC[C@H]3C(C)(C)\\C2=N\\NC(N)=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNGGCNXPNIZQDO-SHEZQQJHSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC(=C\\c5ccc(F)cc5)/C(=N\\NC(=N)N)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPODEMQLIWTYQD-LYGYVDOWSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC(=C\\c5ccc(O)cc5)/C(=N\\NC(=N)N)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYBETHYMBOZDW-BTXXONBTSA-N", "SMILES:Cc1ccc(/C=C2\\C[C@]3(C)[C@H]4C[C@@H](O)[C@@H]5[C@@H]([C@@]6(C)CCCC(C)(C)O6)CC[C@@]5(C)[C@]4(C)CC[C@H]3C(C)(C)\\C2=N\\NC(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLGMFXYJYWQKOC-AIXZGNJPSA-N", "SMILES:COc1ccc(/C=C2\\C[C@]3(C)[C@H]4C[C@@H](O)[C@@H]5[C@@H]([C@@]6(C)CCCC(C)(C)O6)CC[C@@]5(C)[C@]4(C)CC[C@H]3C(C)(C)\\C2=N\\NC(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNCYTCPXEPRLLK-IXYQXGNYSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC/C(=N\\Nc5ccc(Cl)cc5Cl)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUDOSDKWKWTLE-WOJGMQOQSA-N", "SMILES:C/C(=N\\NC(=S)NCCCCCC(=O)NO)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZNEOSGOHNEJC-WOJGMQOQSA-N", "SMILES:C/C(=N\\NC(=S)NCCCCCC(=O)NO)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKGSNZSUSOFAJI-WOJGMQOQSA-N", "SMILES:C/C(=N\\NC(=S)NCCCCCC(=O)NO)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SURINXAQALSLAY-ZBJSNUHESA-N", "SMILES:O=C(CCCCCNC(=S)N/N=C(\\c1ccccc1)c1cccc([N+](=O)[O-])c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STERUNUCURXMBK-WYBHTXOVSA-N", "SMILES:COc1cc(CNC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQYYVVNVFYOUED-DUGVUEAASA-N", "SMILES:COc1cc(CNC(=O)[C@]23CC[C@@H](C)[C@H](C)[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFERHOUHYWLGSW-YYDJUVGSSA-N", "SMILES:O=C(CCCCCN1CCC2c3ccccc3NC2C1)Nc1ccc(/C=C2\\CCn3c2nc2ccccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URKUVOOMGFZKSL-DARPEHSRSA-N", "SMILES:O=C(CCCCN1CCC2c3ccccc3NC2C1)Nc1ccc(/C=C2\\CCn3c2nc2ccccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMJZDJUAIIGAI-ZBJSNUHESA-N", "SMILES:O=C(CCN1CCC2c3ccccc3NC2C1)Nc1ccc(/C=C2\\CCn3c2nc2ccccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDFHMALLNHJGR-YYDJUVGSSA-N", "SMILES:O=C(CCCCCN1CCC2c3ccccc3NC2C1)Oc1ccc(/C=C2\\CCn3c2nc2ccccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDBXKYJPCPAEW-DARPEHSRSA-N", "SMILES:O=C(CCCCN1CCC2c3ccccc3NC2C1)Oc1ccc(/C=C2\\CCn3c2nc2ccccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJZULEDSKWBYDC-BSYVCWPDSA-N", "SMILES:O=C(CCCN1CCC2c3ccccc3NC2C1)Oc1ccc(/C=C2\\CCn3c2nc2ccccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKGAOXISUWKUFF-ZBJSNUHESA-N", "SMILES:O=C(CCN1CCC2c3ccccc3NC2C1)Oc1ccc(/C=C2\\CCn3c2nc2ccccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOMMQUCIBUSEBS-HEHNFIMWSA-N", "SMILES:O=C(CN1CCC2c3ccccc3NC2C1)Oc1ccc(/C=C2\\CCn3c2nc2ccccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456881", "category": ["biolink:ChemicalEntity"], "name": "DEOXYVASICINONE", "xref": ["InChIKey:VARHXCYGZKSOOO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1CCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4794842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKCZSULBLZPAM-UHFFFAOYSA-N", "SMILES:O=C(O)C1NCCC2c3ccccc3NC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCLQKIGNYKOMFH-BSYVCWPDSA-N", "SMILES:O=C(CCCN1CCC2c3ccccc3NC2C1)Nc1ccc(/C=C2\\CCn3c2nc2ccccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPDHBMTDUNEER-HEHNFIMWSA-N", "SMILES:O=C(CN1CCC2c3ccccc3NC2C1)Nc1ccc(/C=C2\\CCn3c2nc2ccccc2c3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3323053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIZZPFJAXHTDR-UHFFFAOYSA-N", "SMILES:O=c1c2cc(OCCCN3CCCCC3)ccc2nc2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLAMOMBNKNHKHO-XVWQHMJCSA-N", "SMILES:CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc2ccccc2c1)S(C)(=O)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPCVFPMCVKCCY-PMMUVVHLSA-N", "SMILES:CC(=O)NC(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc2ccccc2c1)S(C)(=O)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCMBSQSWRGFNS-MDPALHKASA-N", "SMILES:CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC1CCC1)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc2ccccc2c1)S(C)(=O)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMEUYEJVARYYBJ-JGBBQBHTSA-N", "SMILES:CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1cccc2ccccc12)S(C)(=O)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMAQVUMWHFOFD-ZBGXCWRMSA-N", "SMILES:CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)S(C)(=O)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVFUSLUWUGJPNB-MXWKALHWSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CN(C[C@H](Cc2ccccc2)NC(=O)C(NC(C)=O)[C@H](C)O)S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHXPSTWVTQNXKC-WIZPFJGXSA-N", "SMILES:CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(Cl)cc1)S(C)(=O)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFXXRFFLJKEGS-WIZPFJGXSA-N", "SMILES:CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(Br)cc1)S(C)(=O)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJYVQVDXIBHPT-WIZPFJGXSA-N", "SMILES:CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJAQKVLBTZRHM-DKDQVWNHSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CCN)S(=O)(=O)CC(C)C)S(=O)(=O)Cc1ccccc1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVCZIVPKIGVCV-GTRVRUJHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)C(N)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)C[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPVIPSKEHVALA-FYKWBHTRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMZWJZUZGWBNCZ-GWGWCEOGSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@H]1CCC(=O)NCCCC[C@@H](CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)NC(=O)[C@H](C)NC(=O)CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](Cc2ccc(O)cc2)NC1=O)S(C)(=O)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMPHBVYLCJSDF-VHVFXXNYSA-N", "SMILES:CC(C)C[C@H](NC(=O)CN(C[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)CN(C[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2)[C@@H](C)O)S(C)(=O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)CN(S(=O)(=O)c2ccc3ccccc3c2)CC(=O)N[C@@H](C)C(=O)N1)S(=O)(=O)CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFHCRZFHMWKVRJ-KAUTWLPSSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)CN(CC(=O)N[C@H]1CCC(=O)NCCCC[C@@H](CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)NC(=O)[C@H](C)NC(=O)CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](Cc2ccc(O)cc2)NC1=O)S(C)(=O)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHCTTWZHXFONCR-KSFJRRDYSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@H]1CCC(=O)NCCCC[C@@H](CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(C)(=O)=O)NC(=O)[C@H](C)NC(=O)CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](Cc2ccc(O)cc2)NC1=O)S(C)(=O)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRSRJPPVADSGE-INIZCTEOSA-N", "SMILES:CCCCCCOc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGHZGUQZCBZHP-INIZCTEOSA-N", "SMILES:CCCCCCOc1ccc(C(=O)N[C@H](C(=O)NO)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIIPBCFIUGBDHZ-SFHVURJKSA-N", "SMILES:CCCCCCCCOc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKICWJRMBPBNX-KRWDZBQOSA-N", "SMILES:CCCCCCCOc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCIZBWWRUOCFRL-FQEVSTJZSA-N", "SMILES:CCCCCCCCCCOc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QECUOYQPDLNCRS-DEENEOIWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNGOVORSOBCEY-HQUFOENXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOGISSLYRYBUMU-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLUDDJLIMNXLSW-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEWSXPJRYDQPAO-UHFFFAOYSA-N", "SMILES:CNc1ccc(C(=O)NCCn2cc(C=C3C(=O)NC(=O)NC3=O)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMAROWAEERKBHQ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2cn(CCN3CCOCC3)nc2-c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPUHFPEPWUJFV-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2cn(CCCCc3ccccc3)nc2-c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXCBOITVHCSTD-RXDIONOYSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O"]}
{"name": "Alpha-cobratoxin", "xref": ["CHEMBL.TARGET:CHEMBL4739673"], "id": "UniProtKB:P01391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8649"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZJRBUXKMDMGE-VQLBQZSXSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGTKUGGUSVFIOX-UFKKUHRASA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTZMZRONVJCGB-SWIQJYKASA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHBQFSXFOXAKQ-SSYTWCEWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSMBPFWUNRPHQ-OLSLYYFISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTAVDZPCDCFNGF-KHKLNDNHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGYARUJDGZRNOE-IYBFOFMRSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYVOKIYGYDNECG-BHBHXYCSSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIDZSJVGTBXSKB-SAVBYNOOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBZKZZRQBLRHX-SAVBYNOOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMBJNIQZQNFNEX-HFPBQUNUSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCJZPZNUHWDXJB-MYKHETFVSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPSVYXNTISSFP-SRVXJXHBSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXOKFNDJJVJPY-UTRSQHICSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGGXTBAOGMDEE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)C2Cc3ccccc3N2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGPQNLIEOZNQC-PEVIPMCXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O"]}
{"name": "Phenylethanolamine N-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4617"], "id": "UniProtKB:P11086", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMZSUDMWDJASBZ-RRBMSBAWSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccccc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRXYLMCECRARE-RRBMSBAWSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BODLEKUXSITPSP-SEQHXNGFSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2CNCc3ccccc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNZAKRDQWRLVHH-NDIYSDBASA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWBULGFXPCEZCW-RLOJTGAKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHSFTSRTNFFZBE-PNODFLSHSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2CNCc3ccccc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNYKWLHAUJLEGX-PEVIPMCXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccccc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJUBLTWFRRCJJ-PEVIPMCXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIKOUXVUWTYVSE-RDNHWZOISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNPGZWKYRKQJN-OPIJFSDVSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJEAOLMPROGCOC-OPIJFSDVSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUQUXYWSTKUPJK-SYDIUPFYSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTRSLZMJUJDRCM-SEQHXNGFSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APAPOJUCRZTCHD-WOUKDFQISA-N", "SMILES:NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWYGUBGQZSQIIV-SYDIUPFYSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSQEAKLDCYNTH-PNODFLSHSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQDYNQIMTRERLH-UHFFFAOYSA-N", "SMILES:NCC1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL59441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUCRXHRBPLYTA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)CNC(CO)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL60724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFMNKDRNEZZRBW-UHFFFAOYSA-N", "SMILES:NC(=O)C1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCNOTRUDXVTON-UFFVCSGVSA-N", "SMILES:C/C(=N\\NC(=S)Nc1cccc(Br)c1)c1ccc2c(c1)NC(=O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYQKXBGYOFTLB-UFFVCSGVSA-N", "SMILES:C/C(=N\\NC(=S)Nc1cccc(F)c1)c1ccc2c(c1)NC(=O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLTXTDPYHGIAM-HLKKZYAHSA-N", "SMILES:COc1cc(C/C=N/NC(N)=S)ccc1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZWIWFTKWRCIJ-UHFFFAOYSA-N", "SMILES:O=CN(O)CCn1ncc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRNRHWVSWWUIS-UHFFFAOYSA-N", "SMILES:O=CN(O)CCn1cnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWQBORLRAILHB-UHFFFAOYSA-N", "SMILES:O=CN(O)CCn1ccc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJYDBWNNEGWCLF-UHFFFAOYSA-N", "SMILES:O=CN(O)CCCc1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFABMWSHFNNBQT-UHFFFAOYSA-N", "SMILES:O=CN(O)CCN1C(=O)Cc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHBREZEZFSMDQ-UHFFFAOYSA-N", "SMILES:O=CN(O)CCn1ccc2nc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNSTCSIKCINFS-UHFFFAOYSA-N", "SMILES:O=CN(O)CCn1ccc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJUPHFJBSKWNF-UHFFFAOYSA-N", "SMILES:O=CN(O)CCn1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTUYDMNEYZYBJO-UHFFFAOYSA-N", "SMILES:O=CN(O)CCc1nnn2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJXCUPMBFPFEV-UHFFFAOYSA-N", "SMILES:O=CN(O)CCc1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSEKYPIGHZAOHR-UHFFFAOYSA-N", "SMILES:O=CN(O)C(CO)Cn1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOMUPOGAPKMXHS-UHFFFAOYSA-N", "SMILES:CC(Cn1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSRPPOJZRAVWLV-UHFFFAOYSA-N", "SMILES:CCC(Cn1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTZCIBPJIURIN-UHFFFAOYSA-N", "SMILES:CSC(Cn1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHGBRVYJBJAAC-UHFFFAOYSA-N", "SMILES:CCSC(Cn1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNGBFPFIFQTLP-UHFFFAOYSA-N", "SMILES:COC(Cn1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSFFZWFVRXKHSW-UHFFFAOYSA-N", "SMILES:CCOC(Cn1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTZCIBPJIURIN-QHCPKHFHSA-N", "SMILES:CS[C@@H](Cn1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTZCIBPJIURIN-HSZRJFAPSA-N", "SMILES:CS[C@H](Cn1nnc2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQPPDLVGMTMLX-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRAQPHHRZUCMJ-UHFFFAOYSA-N", "SMILES:CCC(Cc1n[nH]c2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc12)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOXMAEBZGPAMMI-WLSNNGNMSA-N", "SMILES:CC[C@@H]([C@@H](CC(C)O)c1n[nH]c2cc(C#Cc3ccc(CN4CCOCC4)cc3)ccc12)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLRFUTZJCGCZOH-QFIPXVFZSA-N", "SMILES:CS[C@@H](Cn1nnc2cc(C#Cc3ccc(-n4ccnc4CO)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLIJBJNMEKAQGD-QFIPXVFZSA-N", "SMILES:CS[C@@H](Cn1nnc2cc(C#Cc3ccc(N4CC5(COC5)C4)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXMBTWRXNDOAU-QFIPXVFZSA-N", "SMILES:CS[C@@H](Cn1nnc2cc(C#Cc3ccc(N4CC5(C4)C[S+]([O-])C5)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWGEUFURVGLOQ-FKBYEOEOSA-N", "SMILES:CS[C@@H](Cn1nnc2cc(C#Cc3ccc(N4C[C@H](O)[C@@H](O)C4)cc3)ccc21)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPAHDQUPCZGQD-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc2nn3c4cc(O)ccc4nnc3c2c1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCMWBRYOFYZRF-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2Cl)c2c(nn3c4ccc(O)cc4nnc23)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPWFSJUVQIYQZ-WPWMEQJKSA-N", "SMILES:N#Cc1c(-c2ccccc2Cl)c2c(N/N=C3\\C=CC(=O)c4ccccc43)n[nH]c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQDEMGAUHSGRI-UHFFFAOYSA-N", "SMILES:N#Cc1nnc2c3c(-c4ccccc4Cl)c(C#N)c(=O)[nH]c3nn2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSAZYVIHYUOHHB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nnc2c3c(-c4ccccc4Cl)c(C#N)c(=O)[nH]c3nn2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYYMPWAUIDXIH-OHYFQAMQSA-N", "SMILES:O=C(O)/C=C/c1cc(OC(=O)/C=C/c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKQIKVUJHXYFL-QNVMIOOMSA-N", "SMILES:C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCSCc1cccc(c1)CSC[C@@H](C(N)=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYNSTBJBJHKBR-BVFDFVGUSA-N", "SMILES:C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCSCc1cccc(c1)CSCCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYQBTHDSQHEAE-OZRKLFKKSA-N", "SMILES:C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(c2)CSCCNC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWVIYEAUWBCASB-VXHSNKMJSA-N", "SMILES:C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cc(F)cc(c2)CSCCNC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNGGHXEZXDYMO-GBTGEVLISA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYIZMOWQIOCCP-FGQBZIHESA-N", "SMILES:CCC[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(c2)CSCCNC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNCMINBJLDFBS-CHJZDDQASA-N", "SMILES:CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(c2)CSCCNC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULRPADIYCQPIDV-BROOYEFSSA-N", "SMILES:C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@@H](C1CCCC1)NC(=O)[C@H](CCCCN)NC(=O)CCSCc1cccc(c1)CSCCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMAGCJIEXVILTH-QXYUSGOXSA-N", "SMILES:CC(C)(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(c2)CSCCNC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUMLHZCSVRHKE-MWKZLACESA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGYMSEGRFBIXIG-RNFNLGEGSA-N", "SMILES:C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cc(F)cc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLGGFJPNKASMHW-IYVDZCHSSA-N", "SMILES:CO[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGLTXDTVSOGHBP-FTXJEYOISA-N", "SMILES:C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIACQYHQRJCFAR-BUFVAJNJSA-N", "SMILES:C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@H](CCCN)NC(=O)CCSCc1cccc(c1)CSC[C@@H](C(N)=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMZKYRSDRNYKAZ-BUFVAJNJSA-N", "SMILES:CCC[C@@H]1NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKKOUJLPCKSCD-GBTGEVLISA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCO)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTOIMUBAPYEYBD-OJNSXBJLSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCC(=O)O)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOZPWDDDWSOHEN-QZYONHEPSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCCC(=O)O)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEHVECPLCUXPA-BMLXZGGASA-O", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UILDURBDBOXHFF-WGGATNBXSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN(C)C)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBHDYRHQHHLKQI-VHEYPDKNSA-N", "SMILES:COCCOCCOCCOCCC(=O)NCCCC[C@@H]1NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMEDPZMTGNTTBQ-HSXNVWMNSA-N", "SMILES:C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCN)NC(=O)CCSCc1cccc(c1)CSC[C@@H](C(N)=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFGALYWQSWXZOF-DPZGQDFFSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CNC(=O)COCCOCCN)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXWKSLGUEFRDGW-AEOQKCRNSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3Cc4cn(c5ccc(F)cc45)Cc4cn(nn4)-c4cc(cc(c4)CSCCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc4c[nH]c5ccc(F)cc45)C(=O)N3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUWFKYTQGWIFL-AHRQDPIESA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CCC(=O)NCc4cccc(c4)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(c4)CSCCNC(=O)[C@]4(C)CCCN4C2=O)C(=O)N[C@@H](Cc2c[nH]c4ccc(F)cc24)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNJIVQPEHLSMGC-NFEJBCPNSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)OC)NC(=O)[C@@H]3CCC(=O)NCc4cccc(c4)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(c4)CSCCNC(=O)[C@]4(C)CCCN4C2=O)C(=O)N[C@@H](Cc2c[nH]c4ccc(F)cc24)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILQILRZMCXZRJE-OIUNUXPTSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CC(=O)NCc4cccc(c4)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(c4)CSCCNC(=O)[C@]4(C)CCCN4C2=O)C(=O)N[C@@H](Cc2c[nH]c4ccc(F)cc24)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFBUSSBLNWYQPB-HPVJMYBESA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CCCC(=O)NCc4cccc(c4)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(c4)CSCCNC(=O)[C@]4(C)CCCN4C2=O)C(=O)N[C@@H](Cc2c[nH]c4ccc(F)cc24)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQXKWBACRQLOX-NFEJBCPNSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CCCCC(=O)NCc4cccc(c4)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(c4)CSCCNC(=O)[C@]4(C)CCCN4C2=O)C(=O)N[C@@H](Cc2c[nH]c4ccc(F)cc24)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEWDNFJDAVIIGW-BQUNTUHPSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)OC)NC(=O)[C@@H]3CCC(=O)NCc4cccc(c4)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(c4)CSCCNC(=O)[C@]4(C)CCCN4C2=O)C(=O)NC(Cc2ccnc4ccc(F)cc24)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVZFZUODUQFAB-NFEJBCPNSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CCCCC(=O)NCc4ccc(cc4)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(c4)CSCCNC(=O)[C@]4(C)CCCN4C2=O)C(=O)N[C@@H](Cc2c[nH]c4ccc(F)cc24)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1612697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUXRYYSKTWDPLO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGHUZDVFBBPKD-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1(C(=O)NC2CCCCCC2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZWSMBEXVYLOK-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1(C(=O)NCc2ccccc2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPOBDSHYLONBA-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPVHNJVJGZWCV-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1(C(=O)Nc2ccc(OC)cc2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZQGSEKOXWECKF-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHXYVXACAMQRP-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCc1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRXWCRUMXXSNGI-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(c1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCDYQCMLIHCJPG-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccccc1)C1(C(=O)Nc2ccc(OC)cc2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYJPYOXSQKJEH-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccco1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXLXXVIBWLEJIG-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccncc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQRMIAJSRQTMRD-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1cccnc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRCOQIHJSJQISO-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccc(C)cc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXSQYWXHYZGKS-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1cccc(Cl)c1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZJTWXEOYFPRZ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1cccs1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRABJGXEDYUER-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccco1)C1(C(=O)Nc2ccc(OC)cc2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGVSLZEYOIFTF-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1cccs1)C1(C(=O)Nc2ccc(OC)cc2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YICWVMVFCWIKME-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccncc1)C1(C(=O)Nc2ccc(OC)cc2)CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWFCQUCEWQQSW-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccccc1)c1cc(Cl)cc(Cl)c1"]}
{"name": "Dedicator of cytokinesis protein 5", "xref": ["CHEMBL.TARGET:CHEMBL4739665"], "id": "UniProtKB:B2RY04", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKSVGWMXOSVJDB-RBUKOAKNSA-N", "SMILES:O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTLOYBKZNTDPM-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCC3(CCN(Cc4cccc(Cl)c4)C3)C2=O)cc1C"]}
{"name": "Dedicator of cytokinesis protein 5", "xref": ["CHEMBL.TARGET:CHEMBL4739705"], "id": "UniProtKB:Q9H7D0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWROPRAKOSXHJW-UHFFFAOYSA-N", "SMILES:O=C1N(c2cccc(F)c2)CCC12CCN(Cc1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJOHVIOMUHVDOJ-VQTJNVASSA-N", "SMILES:COc1ccc(CN2CC[C@@]3(C2)[C@@H](O)CN(c2ccccc2)S3(=O)=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPCAVXRSISRKB-FCHUYYIVSA-N", "SMILES:O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1ccc3c(c1)CCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKQATCAEQIKQSU-FCHUYYIVSA-N", "SMILES:Cn1cc(CN2CC[C@@]3(C2)[C@@H](O)CN(c2ccccc2)S3(=O)=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHNBQLSJYFYAY-FCHUYYIVSA-N", "SMILES:O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1cnc3ccccc3c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNVNZYPKNHVNMU-RBUKOAKNSA-N", "SMILES:O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1ccc(Cl)c(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPZNXSUFBUIGL-RBUKOAKNSA-N", "SMILES:O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1ccc(Cl)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATAZWTHGJIJKGM-RBUKOAKNSA-N", "SMILES:O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1ccccc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNJRBPUKKDGEFB-UHFFFAOYSA-N", "SMILES:C#CCOc1cccc(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1"]}
{"name": "Tubulin beta-5 chain", "xref": ["CHEMBL.TARGET:CHEMBL4739682"], "id": "UniProtKB:P99024", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNDTDLPDTWTCF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N2CCN(C(=O)c3ccc(C=O)c([N+](=O)[O-])c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NROZTYLBXWWHCH-UHFFFAOYSA-N", "SMILES:COC1=C(Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMJGNUGOYSYEP-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(Nc2cccc(O)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLCBNAPSVNXOW-UHFFFAOYSA-N", "SMILES:COC1=C(Nc2ccc(F)c(C(F)(F)F)c2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOQZTUZJKTXNRB-UHFFFAOYSA-N", "SMILES:COC1=C(Nc2cc(C(F)(F)F)ccc2F)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQBCMGVBWDMPRF-UHFFFAOYSA-N", "SMILES:CCSC1=C(Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVMBIIZJUWFAKH-UHFFFAOYSA-N", "SMILES:O=C1C(Nc2ccc(F)c(C(F)(F)F)c2)=C(SC(F)(F)F)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJEWPHXIBXYRFB-UHFFFAOYSA-N", "SMILES:CC1=C(Nc2ccc(F)c(C(F)(F)F)c2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOVRUKQAJJOPL-UHFFFAOYSA-N", "SMILES:CSC1=C(Nc2ccc(F)c(C(F)(F)F)c2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUBTEAYSCSTIY-SFHVURJKSA-N", "SMILES:CC[C@@H](c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948730", "category": ["biolink:ChemicalEntity"], "name": "UMBRALISIB", "xref": ["InChIKey:IUVCFHHAEHNCFT-INIZCTEOSA-N", "SMILES:CC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F"], "synonym": ["Umbralisib", "Umbralisib", "Tgr 1202", "Umbralisib", "RP-5264", "RP5264", "TGR-1202 FREE BASE", "TGR-1202 base", "Umbralisib"], "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL4745977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHPJVFROISKUBZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nc4cccc(F)c4c(=O)n3-c3ccccc3)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPKIDYUITMUPSN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nc4cccc(F)c4c(=O)n3Cc3ccccc3)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLRLUKTTWRSNV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nc4cccc(F)c4c(=O)n3-c3cnn(C)c3)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPIATPXLUJGTM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nc4cccc(F)c4c(=O)n3C3CCCCC3)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRVVIARIZLPGY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nc4cccc(F)c4c(=O)n3C3CCCC3)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOOXXMLZDRYVLM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(c3nc4cccc(F)c4c(=O)n3C)C3CCC3)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZRPSBGAFJLEDL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nc4cccc(F)c4c(=O)n3C3CC3)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFMKOYUDPUJJX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nc4cccc(F)c4c(=O)n3CC(C)C)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGDJWHSIYSFJPB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nc4cccc(F)c4c(=O)n3C(C)C)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLQLNCILSICCEH-UHFFFAOYSA-N", "SMILES:CCn1c(C(C)n2nc(-c3ccc(OC)c(F)c3)c3c(N)ncnc32)nc2cccc(F)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVJCSDNBQKHOS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nc4cccc(F)c4c(=O)n3C)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUBTEAYSCSTIY-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEWNPGTTUCCNU-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccccc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHWIPOFRAWAGQW-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHYVBNQKWAIFF-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(OC)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYLZYBJVLMMBM-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(C)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHIEFDVQASBHW-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC(C)C)c(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVPPJUXWZTBNI-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(C(=O)NC)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSZBXKTZBWTKEE-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(NC(C)=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHXVSVAACFBGR-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXQLWAJIAZUOPE-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSNTANVPJQNED-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2cnn(C)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCCISRVTWHPIH-UHFFFAOYSA-N", "SMILES:CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccsc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUBTEAYSCSTIY-GOSISDBHSA-N", "SMILES:CC[C@H](c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOONVQWRKJLEEG-IYBDPMFKSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1C[C@@H](C)N(C)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNADIKCPGVQLOJ-GASCZTMLSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZZDKCQLBSMMO-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWUFYDSRXBAHJ-OAHLLOKOSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWUFYDSRXBAHJ-HNNXBMFYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTBDNXLPXHGBS-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCNC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDGEMCAGXBOIK-CQSZACIVSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDGEMCAGXBOIK-AWEZNQCLSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZWXKZPONDNKZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORIXDKKDQDLGS-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(C2COC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTWXLSZXQYDDG-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(C2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDWMGRKLSRZHDJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCTAOLWOVJMFBZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOOKGTZSOKNCKI-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCC(N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQWSSLUSWIRCGY-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCC(N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPYQJRPDTUNPR-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCCCC3)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXRASDQERNSGD-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCCC3)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCMGNNWMXRBKY-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCC3)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWLCRDTMXGKMW-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CC3)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUHUOSWVJZOAY-UHFFFAOYSA-N", "SMILES:CCCC(C)n1c2cc(N3CCN(C)CC3)c(OC)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOFDYYOHXTUCA-UHFFFAOYSA-N", "SMILES:CCC(C)n1c2cc(N3CCN(C)CC3)c(OC)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZGLTBDGHVBQK-UHFFFAOYSA-N", "SMILES:CCCn1c2cc(N3CCN(C)CC3)c(OC)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMILYSISXZOKRR-UHFFFAOYSA-N", "SMILES:CCn1c2cc(N3CCN(C)CC3)c(OC)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEOQTJUYMMZGMJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZUXODKNQVFHOH-UHFFFAOYSA-N", "SMILES:CC(C)n1c2[nH]c3cc(C#N)ccc3c2c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGVFDBFWIDLWED-UHFFFAOYSA-N", "SMILES:CC(C)n1c2[nH]c3cc(C#N)ccc3c2c(=O)c2ccc(N3CCN(C)CC3)c(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKCBFXKFOVNOR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTVRYXGMEVTHJF-UHFFFAOYSA-N", "SMILES:CCCCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVGOBODNFZEHAZ-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVNFZPWAOEUKH-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTSQDQMEPSWWAH-UHFFFAOYSA-N", "SMILES:CC(C)c1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOJHYMQYDDQOP-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEQQXOPIOGMCBX-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISURMEFGNSMOGB-UHFFFAOYSA-N", "SMILES:CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYMCRPCSTZYLEU-UHFFFAOYSA-N", "SMILES:CC(C)n1c2cc(N3CCN(C)CC3)c(Br)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGOUFXLIRYCFIQ-UHFFFAOYSA-N", "SMILES:CC(C)n1c2cc(N3CCN(C)CC3)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OORSPMSOZZAJHG-UHFFFAOYSA-N", "SMILES:CC(C)n1c2cc(N3CCC(N4CCOCC4)CC3)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZOWTZPISMIQT-UHFFFAOYSA-N", "SMILES:Cn1c2cc(N3CCC(N4CCOCC4)CC3)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRKVDNSABOJID-ZJBJCVSYSA-N", "SMILES:CN1CCNC(=O)COc2ccc(Cl)cc2C(=O)N2CCCC[C@H]2c2cc3nc([C@H]4C[C@H](O)C4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQSGZLERONLEJ-NRFANRHFSA-N", "SMILES:CN1CCCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZFKDPPNHBQLI-FQEVSTJZSA-N", "SMILES:CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTQFQCDOONDMIK-CECAUBDESA-N", "SMILES:CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc([C@H]4C[C@@H](N)C4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKHEDBJSODSRQ-NRFANRHFSA-N", "SMILES:CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(C4CNC4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDMXVHNQMFVTJ-RXVVDRJESA-N", "SMILES:CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMHNHBINQSBFDO-NRFANRHFSA-N", "SMILES:CNC1CN(c2cc3n4nc(cc4n2)[C@@H]2CCCCN2C(=O)c2cc(F)ccc2OCC(=O)NCCN3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYKCIGJJVKSBQW-FQEVSTJZSA-N", "SMILES:CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CC(N)C4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGIJILGBDQCWNL-FQEVSTJZSA-N", "SMILES:CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CC(O)C4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNWHNZKDJRHDA-NRFANRHFSA-N", "SMILES:CN1CCS(=O)(=O)CCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDUPJNVSFYJINX-NRFANRHFSA-N", "SMILES:CN1CCNCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOCKQJYVQIFDFU-NRFANRHFSA-N", "SMILES:CN1CCN(C)c2cc(N3CCC3)nc3cc(nn23)[C@@H]2CCCCN2C(=O)c2cc(F)ccc2OCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIKVMOHYWLMWAV-FQEVSTJZSA-N", "SMILES:CN1CCNS(=O)(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMLBTAQGLPMCIG-AIBWNMTMSA-N", "SMILES:CN1CCNC(C(F)(F)F)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIIKHHWEUPXXNS-FQEVSTJZSA-N", "SMILES:CN1CC(=O)NCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZWTURIEVHDXBU-NRFANRHFSA-N", "SMILES:CN1CCOCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNKULGCYSCGYOZ-REWPJTCUSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N1CCCC[C@H]1c1cc3nc(N4CC[C@H](N)C4)cc(n3n1)N(C)CCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTQFQCDOONDMIK-ZJBJCVSYSA-N", "SMILES:CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc([C@H]4C[C@H](N)C4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGDBMHWJGSNAOS-CECAUBDESA-N", "SMILES:CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc([C@H]4C[C@@H](O)C4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGDBMHWJGSNAOS-ZJBJCVSYSA-N", "SMILES:CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc([C@H]4C[C@H](O)C4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWKXDCOZSCMXLC-YDHSSHFGSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N1CCCC[C@H]1c1cc3nc([C@H]4C[C@H](O)C4)cc(n3n1)N(C)CCNC(=O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMRARQYMVODNGG-UHFFFAOYSA-N", "SMILES:CN1CCNC(=O)COc2ccc(Cl)cc2C(=O)N2CCCCC2c2cc3nc(N4CCC4)cc1n3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKRASBCVFNFJD-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N1CCCCC1c1cc3nc(N4CCC4)cc(n3n1)N(C)CCNC(=O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDFJFKOBPDERC-PPWBKFESSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFSOLRMNUVMPG-NFKKIMIFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUUTGNBTBDNHL-UHFFFAOYSA-N", "SMILES:N#CC1=C(C#N)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJMOAWZSBQTJU-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCCC(=O)O)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLLSIXOEXWPFK-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCc2ccc(C(=O)O)cc2)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQTHGCHYXVDNIX-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCCC(=O)NCc2ccccc2C(=O)O)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIHFEGXTFYBZNQ-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCCC(=O)NCc2cccc(C(=O)O)c2)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFOFAMCWDGSQFM-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCCC(=O)NCc2ccc(C(=O)O)cc2)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELPOPKCIJFUJK-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCCC(=O)NCc2ccccc2)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMTUTGVUNKARAZ-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCCC(=O)NCCOCCO)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHELUVXSXKRRCT-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CNC(=O)CCNC2=C(C#N)C(=O)c3cccc4c(Sc5ccc(Br)cc5)ccc2c34)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBIVEYODRPUMU-UHFFFAOYSA-N", "SMILES:CCCCNC1=C(C#N)C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGXEZYVXBIELC-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1)N(CCO)CCO"]}
{"name": "G-protein coupled receptor 52", "xref": ["CHEMBL.TARGET:CHEMBL3297639"], "id": "UniProtKB:Q9Y2T5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBMLMAVCSMMIO-UHFFFAOYSA-N", "SMILES:O=C(NCCF)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVMDYDYBJMALK-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1)N1CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZSOLFNVLQXMA-UHFFFAOYSA-N", "SMILES:O=C(NCCCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYPNJWZMFIGSSF-UHFFFAOYSA-N", "SMILES:O=C(NCCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBWCJONWGAWGX-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZBRXVTLDLXQP-UHFFFAOYSA-N", "SMILES:O=C(NC(CO)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPOUZNYZFXGCD-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Sc2cccc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNFEAFDFNCNOY-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Oc2cccc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCEUAODDMPXUFF-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Nc2cccc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSCNNZIBRYFAN-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(C(F)c2cccc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVOBHZIUFBIHG-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(C(F)c2cc(F)cc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSALYXRWZRQIF-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1nccc(C(F)c2cc(F)cc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPENASDQSVUGLA-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(C(O)c2cccc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWAEAIWTGBBHA-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(C(O)c2cc(F)cc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HALHLDJMKQYAIR-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1nccc(C(O)c2cc(F)cc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYHBQUEQSSSID-UHFFFAOYSA-N", "SMILES:O=C(c1cc(F)cc(C(F)(F)F)c1)c1ccnc(N2CCc3c(C(=O)NCCO)cccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAPOZHNQMKXTK-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccccc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNNVKCBIPFYJNY-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQOBOFTIDPSBT-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOYLUPFNUCGXLW-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(OC(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLZXVXXMJIKMNI-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJWYYGONSHETL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPQABBXVYSTBHJ-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPAYEDUDNBCSAW-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCYJTMHNROCZQV-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc(C(F)(F)F)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNEOMBOLDHWANK-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccccc2C(F)(F)F)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHUHCZKHNNBHM-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSGUFHCPRQRZEA-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1nncc(Cc2cc(F)cc(C(F)(F)F)c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGKTMHHHVVRJT-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2cc(F)cc(C(F)(F)F)c2)cnnc1N1CCc2c(C(=O)NCCO)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPGFFQFTGVXLM-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1nccc(Cc2cc(F)cc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNVWBLTVAPNME-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPGMTIEQISJPR-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)cnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIIXTJJPKZUGPH-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWFRKFVFXTYALZ-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSVQMLKTCWDXIQ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1)c1cc(N2CCc3c(C(=O)NCCO)cccc32)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSLEMSDUQXQHY-UHFFFAOYSA-N", "SMILES:O=C(c1cc(F)cc(C(F)(F)F)c1)c1cc(N2CCc3c(C(=O)NCCO)cccc32)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHZOBQUFIPYJNS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC2(O)CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQWEZTZYLHZEY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC(O)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOWCHVWMBDVTOS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJRBKHCZWMCKH-UHFFFAOYSA-N", "SMILES:CN(CCC(O)COc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVHTGNJGLCESM-UHFFFAOYSA-N", "SMILES:CN(CCC(N)COc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOWCHVWMBDVTOS-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(OC[C@@H](N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOWCHVWMBDVTOS-CYBMUJFWSA-N", "SMILES:N#Cc1ccc(OC[C@H](N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVWMKMHYZTWDV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC(N)CCNS(=O)(=O)c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYUIFUVLAYUJKU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC(N)CCNS(=O)(=O)c2ccccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYOSYBDVUPEMCG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC(N)CCNS(=O)(=O)c2cccc(Cl)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZAPRVYCOBLUAR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHHKGDSKSOORBA-AWEZNQCLSA-N", "SMILES:N#Cc1ccc(OC[C@@H](N)CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZGYJGSFSLUKK-HNNXBMFYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)NCC[C@H](N)COc2ccc(C#N)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTBOZMIIVZGGP-AWEZNQCLSA-N", "SMILES:COc1ccccc1S(=O)(=O)NCC[C@H](N)COc1ccc(C#N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCONDYFYURBRN-HNNXBMFYSA-N", "SMILES:Cc1ccccc1S(=O)(=O)NCC[C@H](N)COc1ccc(C#N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFUEXPRWCSXGC-IBGZPJMESA-N", "SMILES:N#Cc1ccc(OC[C@@H](N)CCNS(=O)(=O)c2ccccc2-c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXGGVHUCLHRJU-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(OC[C@@H](N)CCNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILDUBOLZSBGTOQ-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(OC[C@@H](N)CCNS(=O)(=O)c2ccccc2C(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAUBJYBOJISJP-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(OC[C@@H](N)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFBRZKRIGHQTCD-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(OC[C@@H](N)CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZFBKPGPOOUGI-AWEZNQCLSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)NCC[C@H](N)COc2ccc(C#N)c(F)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLWFHAFKLAMTI-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(OC[C@@H](N)CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKKYDCNDPJYUAC-UHFFFAOYSA-N", "SMILES:NC(CCNS(=O)(=O)c1ccc(Cl)cc1Cl)COc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFKVCZHAJQWVRQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEYBGJXNVHHDS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJCLPXUOJXPFD-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1OCC(N)CCNS(=O)(=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZQNAKYBDQRYRJ-UHFFFAOYSA-N", "SMILES:NC(CCNS(=O)(=O)c1ccc(Cl)cc1Cl)COc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWNRPAGYRCMDU-UHFFFAOYSA-N", "SMILES:NC(CCNS(=O)(=O)c1ccc(Cl)cc1Cl)COc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVKIGMYKJBSQJ-UHFFFAOYSA-N", "SMILES:COc1cccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUOCDCBQKPSBW-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(N)c(OC[C@@H](N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQXAKUGEIHJEHG-AWEZNQCLSA-N", "SMILES:COc1ccc(C#N)cc1OC[C@@H](N)CCNS(=O)(=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKZBBFJSSCVJCG-HNNXBMFYSA-N", "SMILES:Cc1ccc(C#N)cc1OC[C@@H](N)CCNS(=O)(=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMRVJXDSISPAS-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(F)c(OC[C@@H](N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPFFUIZKMPZRZ-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(Cl)c(OC[C@@H](N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGKRTYDTRUMGO-RFNYNIMXSA-N", "SMILES:CCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHHIKJEGXHKLQ-UJTWYAIMSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJPLTPOMVKXAT-RBENRJQXSA-N", "SMILES:CCCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZOUQZBCWNDGR-RBENRJQXSA-N", "SMILES:CCCCC(C)Oc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUJTJNZIQCNAA-AVRDEDQJSA-N", "SMILES:CC(C)CCCOc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHXJJHCUIOSQD-UWJYYQICSA-N", "SMILES:CCCCCOc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNOCUMXGFHYHB-WURXZWLQSA-N", "SMILES:CCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNOCUMXGFHYHB-FIKGOQFSSA-N", "SMILES:CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBFRMEFOWJWYPO-JTSKRJEESA-N", "SMILES:C[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDYGPFJMJJINIY-JXFKEZNVSA-N", "SMILES:CCCCOc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBBQPJSLMYFRS-KKSFZXQISA-N", "SMILES:C[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPBXYXMULDUMHW-KXBFYZLASA-N", "SMILES:CCCOc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCNFGSPHWDEHKR-YWZLYKJASA-N", "SMILES:C[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBLCFARTSFPRS-UWJYYQICSA-N", "SMILES:COCCCCOc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVDWERVXQOMSW-JXFKEZNVSA-N", "SMILES:COCCCOc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKLMADKXPSDVCM-BVSMEHFNSA-N", "SMILES:CC1CC(COc2ccc([C@H](CO)NC(=O)[C@@H](C)c3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRLWQMPTNQSWDZ-YWZLYKJASA-N", "SMILES:C[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CC(F)(F)C2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUTBEIGKAHNCFX-HXCXSPQYSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUQTVOUEZZLZQC-HBRZWPCVSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTJQUVYQMBZEA-RXJZEZJSSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOMCBCLVKOOPX-HXCXSPQYSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQAAEXZNJZQTM-YGJWIAMLSA-N", "SMILES:CCCNC(=O)[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(OCC(C)CCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWJLHUQFVGJSD-YGJWIAMLSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDNSDLBWKAVPGO-YGJWIAMLSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPODJCQDQRNGJ-DOTFVUQSSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NC(C)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWAOPBOIVEUHQ-LMBUJBDKSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NC(C)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCTLHRPZBIKFFM-OZOSHOQESA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVFOZNJUFEAKD-XGMIRAJKSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVOLZHPILFTLO-XGMIRAJKSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NC2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYOZZXGDBHQLBG-FWDVVIQXSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NC2(C)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIKQSBUQFSMNV-VEUOEQISSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUKRUIUVFDEQJC-GYZHRQORSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBEDDWXXMORISH-OZOSHOQESA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWVGTQXSLHZEBX-HXCXSPQYSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOHSPGASWAZBG-YGJWIAMLSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCCOC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWDXHPJHMIQFH-VYAADSEWSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCC2CCCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQHGILXZVAYBOQ-UGPPBOCOSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCCNC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPYYNWNQASCTR-HXCXSPQYSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USVALEWREOTVPQ-ROHDMLMOSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCCN(C)C(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYKWVXNIMJKSFS-YGJWIAMLSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCCNC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJQKWFKNVOFNJ-FWDVVIQXSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBDUPBYROYNSB-ICXZBYPLSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCC2CCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PROYOBJYJLSJDN-GYZHRQORSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVIOMBQDONESS-DMDZPQSYSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBFFWRFORABLCP-GYZHRQORSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDYOLWUPFLPUOX-GYZHRQORSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFQSGRDRIGZSN-GYZHRQORSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVKXCWNFJTWBAZ-VEUOEQISSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)NCc2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPHIUQQTMPPLZ-UQBPGWFLSA-N", "SMILES:C[C@H](C(=O)N[C@@H](C(=O)NCc1ccco1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCSASDIQULIQAP-UQBPGWFLSA-N", "SMILES:C[C@H](C(=O)N[C@@H](C(=O)NCc1cccs1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYIBHWXUOGVJQF-UQBPGWFLSA-N", "SMILES:C[C@H](C(=O)N[C@@H](C(=O)NCc1ccc[nH]1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVAQHDPTKGLOAR-UQBPGWFLSA-N", "SMILES:Cc1cnc(CNC(=O)[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCEKXONMPLNACV-MHECFPHRSA-N", "SMILES:C[C@H](C(=O)N[C@@H](C(=O)NCc1ccon1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTLADBZSISBOLY-MHECFPHRSA-N", "SMILES:C[C@H](C(=O)N[C@@H](C(=O)NCc1nccs1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTPBZVZTJWZQPM-MHECFPHRSA-N", "SMILES:C[C@H](C(=O)N[C@@H](C(=O)NCc1ncc[nH]1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOKSXOMKOUFEY-BXKMTCNYSA-N", "SMILES:Cc1nnc(CNC(=O)[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APQDFHTZGPEMKJ-GAJHUEQPSA-N", "SMILES:C[C@H](C(=O)N[C@@H](C(=O)NCc1nnc[nH]1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQUKTXRBHFAWOY-RXJZEZJSSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)c2nnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALKXIJLDRMJNF-KICWZURGSA-N", "SMILES:CCCC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)c2nnc(C)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGGUVQUIHYDDBE-HRAATJIYSA-N", "SMILES:C[C@H](C(=O)N[C@H](c1ccc(OCC2CCC2)cc1)c1nnco1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDRXWAJASLHRE-KSFYIVLOSA-N", "SMILES:Cc1nnc([C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNEASURHONSSSD-WUVYZUJSSA-N", "SMILES:CCCC(C)COc1ccc([C@H](Cc2nnco2)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGMMZBLLNBLYPK-GRZKKUKKSA-N", "SMILES:CCCC(C)COc1ccc([C@H](Cc2nnc(C)o2)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATKNEAWOCXBQD-NCNOEJATSA-N", "SMILES:CCCC(C)COc1ccc([C@H](Cc2nnc(N)o2)NC(=O)[C@@H](C)c2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXZSDGYVIVAHX-JTSKRJEESA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cc1nnco1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRZSAIQBTJNOLN-SBUREZEXSA-N", "SMILES:Cc1nnc(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSDWPXJLOLACA-WUZJXDRUSA-N", "SMILES:CC[C@H](C)COc1ccc([C@H](Cc2nnc(N)o2)NC(=O)[C@@H](C)c2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNECAZWWNDFXPL-ZOEDVAEJSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cc1nnc(N)o1)c1ccc(OCC2CCC2)cc1)c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATKNEAWOCXBQD-JIXBSQRZSA-N", "SMILES:CCC[C@H](C)COc1ccc([C@H](Cc2nnc(N)o2)NC(=O)[C@@H](C)c2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATKNEAWOCXBQD-VGTMEJJFSA-N", "SMILES:CCC[C@@H](C)COc1ccc([C@H](Cc2nnc(N)o2)NC(=O)[C@@H](C)c2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSDWPXJLOLACA-POKLFOKASA-N", "SMILES:CC[C@@H](C)COc1ccc([C@H](Cc2nnc(N)o2)NC(=O)[C@@H](C)c2ccccc2)cc1.Cl"]}
{"name": "G protein-coupled receptor 88", "xref": ["CHEMBL.TARGET:CHEMBL3879835"], "id": "UniProtKB:Q9EPB7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBQRJXPPXXFCFZ-RBENRJQXSA-N", "SMILES:CCCC(C)COc1ccc([C@H](Cc2nnc(N)o2)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQUZJJXEDANMJD-VJBWXMMDSA-N", "SMILES:CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCNC(=O)c1ccc(NN)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYZVGHNHMXVHTN-KGLIPLIRSA-N", "SMILES:CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHBDLPZTUSLFD-LRSLUSHPSA-N", "SMILES:CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCBYWFMRXPHJM-YRPNKDGESA-N", "SMILES:CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYXPFZLYNSTHAH-BBWFWOEESA-N", "SMILES:CC(C)C[C@H]1C(=O)N[C@H](C(=O)O)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWAOBZJUFXZPY-QUCCMNQESA-N", "SMILES:CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(OCCNC(=O)c2ccc(NN)nc2)cc1)C(=O)O"]}
{"name": "Macrophage metalloelastase", "xref": ["CHEMBL.TARGET:CHEMBL2594"], "id": "UniProtKB:P34960", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKZEJQFHWOTCQ-NSHDSACASA-N", "SMILES:C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1Cl)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIEHSUBEFAWJJT-ZDUSSCGKSA-N", "SMILES:C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1C1CC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGWWANZRVLADW-HNNXBMFYSA-N", "SMILES:C#CCN(Cc1ccc(OCc2cccc(F)c2)cc1)[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKRGBDAPZWGMGV-INIZCTEOSA-N", "SMILES:C#CCN(Cc1ccc(OCc2cccc(F)c2)cc1C)[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELDGKKAOIVPCF-AWEZNQCLSA-N", "SMILES:C#CCN(Cc1ccc(OCc2cccc(F)c2)cc1F)[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJMCKQFCFUILGQ-AWEZNQCLSA-N", "SMILES:C#CCN(Cc1ccc(OCc2cccc(F)c2)cc1Cl)[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMGCZWDJHPQIA-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCN1Cc1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMGCZWDJHPQIA-KRWDZBQOSA-N", "SMILES:NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUHRTSPIEALDDN-SFHVURJKSA-N", "SMILES:Cc1cc(OCc2cccc(F)c2)ccc1CN1CC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIQTDGNFWCSDX-KRWDZBQOSA-N", "SMILES:NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUBOQDNHBKKIP-KRWDZBQOSA-N", "SMILES:NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVANEFQOAUJITQ-SFHVURJKSA-N", "SMILES:NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFVPWDUISWUPNM-IBGZPJMESA-N", "SMILES:CC1(C)C[C@@H](C(N)=O)N(Cc2ccc(OCc3cccc(F)c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYBZCHKHKKGXDE-KRWDZBQOSA-N", "SMILES:NC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJLZTSCAYCWJN-SFHVURJKSA-N", "SMILES:NC(=O)[C@@H]1COCCN1Cc1ccc(OCc2cccc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQWKHQMEIHCHGU-ZDUSSCGKSA-N", "SMILES:Cc1cc(OCc2cccc(F)c2)ccc1CN[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQGLSHFPYUJMC-NSHDSACASA-N", "SMILES:C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1F)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQACFGOKQPMGX-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccc(OCc3cccc(F)c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSJDWCJGHWKCH-IBGZPJMESA-N", "SMILES:CC1(C)C[C@@H](C(N)=O)N(Cc2ccc(OCc3cccc(F)c3)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMZFIOQBLZYBZ-KRWDZBQOSA-N", "SMILES:NC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZTZBVSUWDHASK-SFHVURJKSA-N", "SMILES:NC(=O)[C@@H]1COCCN1Cc1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXOVBHSPUXABD-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBFBTODZEVJUIC-UHFFFAOYSA-N", "SMILES:CC(C)c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSQOTVHUYJQPDR-UHFFFAOYSA-N", "SMILES:CC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTDDROMURWUNV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2cc(Cl)nn2c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXYPLAWPRXQOLU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2cc(Cl)nn2c1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZQMAUOFCDPAQ-JTQLQIEISA-N", "SMILES:COC[C@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZQMAUOFCDPAQ-SNVBAGLBSA-N", "SMILES:COC[C@@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPQYRXKDSURMLJ-UHFFFAOYSA-N", "SMILES:COCc1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIASRXDYFFUED-SECBINFHSA-N", "SMILES:CO[C@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMPUACZRXUZAJD-QMMMGPOBSA-N", "SMILES:CO[C@@H](C)c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244743", "category": ["biolink:ChemicalEntity"], "name": "ESCULETIN", "xref": ["InChIKey:ILEDWLMCKZNDJK-UHFFFAOYSA-N", "SMILES:O=c1ccc2cc(O)c(O)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL313244", "category": ["biolink:ChemicalEntity"], "name": "4-METHYLESCULETIN", "xref": ["InChIKey:KVOJTUXGYQVLAJ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(O)c(O)cc12"], "synonym": ["NSC-688807"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1255818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRNJQYCOSMOJS-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)c2cc(O)c(O)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4786147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMVLEVZUIZPRG-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2cc(O)c(O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYJYDJSJKEKSN-UHFFFAOYSA-N", "SMILES:O=c1cc(CCl)c2cc(O)c(O)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4762663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECFBVXAWGDJEM-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)c2cc(O)c(O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVQNHXICBDLOZ-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1cc(=O)oc2cc(O)c(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZBNZFYHLQRFPS-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(=O)oc2cc(O)c(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4777012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMXVUGORCLERF-UHFFFAOYSA-N", "SMILES:CN(C)Cc1c(O)c(O)cc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWIPMVXBHTUPKU-UHFFFAOYSA-N", "SMILES:CN(C)Cc1c(O)c(O)cc2oc(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHMNRCWVSQPHJ-UHFFFAOYSA-N", "SMILES:O=c1ccc2cc(O)c(O)c(CN3CCC(O)CC3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEFNMHXHOBMFII-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(CN3CCC(O)CC3)c(O)c(O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTKHRCSRDRLSK-UHFFFAOYSA-N", "SMILES:O=c1ccc2cc(O)c(O)c(CN3CCCC3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMPYRYPPNUYAZ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(CN(C)C)c(O)c(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHBMJNZIXIERS-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(CN3CCC(O)CC3)c(O)c(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYYWXGPCSDHAU-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(CN3CCCC3)c(O)c(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325864", "category": ["biolink:ChemicalEntity"], "name": "SCOPARONE", "xref": ["InChIKey:GUAFOGOEJLSQBT-UHFFFAOYSA-N", "SMILES:COc1cc2ccc(=O)oc2cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4758291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDTZMVDQVRHEBO-UHFFFAOYSA-N", "SMILES:COc1cc2cc([N+](=O)[O-])c(=O)oc2c([N+](=O)[O-])c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244948", "category": ["biolink:ChemicalEntity"], "name": "DAPHNETIN", "xref": ["InChIKey:ATEFPOUAMCWAQS-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(O)c(O)c2o1"], "synonym": ["Daphnetin", "NSC-633563"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL276618", "category": ["biolink:ChemicalEntity"], "name": "4-METHYLDAPHNETIN", "xref": ["InChIKey:NWQBYMPNIJXFNQ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL255531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DISLGKNXGGQKTE-UHFFFAOYSA-N", "SMILES:O=c1cc(CCl)c2ccc(O)c(O)c2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL349179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBNHLYHCBCREZ-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)c2ccc(O)c(O)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGCGZUAVODHMD-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc(=O)oc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHSJFOILNWMNFO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C)cc(=O)oc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMDNBYKBXSWEDH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CCl)cc(=O)oc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHSZKZMJZXHDFY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CO)cc(=O)oc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGUBUSIGKOWDPO-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c([N+](=O)[O-])c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2205240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXAGHXRIBLWES-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(O)c(Cl)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4800041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDTWGXIYHPUKI-UHFFFAOYSA-N", "SMILES:CCc1cc2c(C)cc(=O)oc2cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL243263", "category": ["biolink:ChemicalEntity"], "name": "6-HYDROXYCOUMARIN", "xref": ["InChIKey:CJIJXIFQYOPWTF-UHFFFAOYSA-N", "SMILES:O=c1ccc2cc(O)ccc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL51628", "category": ["biolink:ChemicalEntity"], "name": "UMBELLIFERONE", "xref": ["InChIKey:ORHBXUUXSCNDEV-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(O)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL54909", "category": ["biolink:ChemicalEntity"], "name": "FRAXETIN", "xref": ["InChIKey:HAVWRBANWNTOJX-UHFFFAOYSA-N", "SMILES:COc1cc2ccc(=O)oc2c(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4749457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYTPHNOPQGAILG-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1[nH]ncc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOAOENGFAAUUGT-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1477600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRPPZWEPMDGEI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Cn2c(CO)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFXWOWAGOHCHZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCCOCc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOAMYAYUVRHQG-UHFFFAOYSA-N", "SMILES:Cc1cc(CCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPFXMWOQGUVCF-UHFFFAOYSA-N", "SMILES:Cc1cc(CCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJZGDOPAALDWAT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCOCc2ccn(-c3ccc(F)c(F)c3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIIXEYJORCTKCB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCOCc2cc(C)n(-c3ccc(F)c(F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFFZXLKNRUIFBC-UHFFFAOYSA-N", "SMILES:Cc1cc(COCCN2CCNCC2)nn1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRJCZJYJXNRQO-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCOCc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUNVMDLDDMAIA-GASCZTMLSA-N", "SMILES:Cc1cc(COCCN2C[C@@H](C)O[C@@H](C)C2)nn1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJAUBDXQDODCGO-UHFFFAOYSA-N", "SMILES:Cc1cc(COCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMNZVMQNQMCZIR-UHFFFAOYSA-N", "SMILES:Cc1cc(COCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXCNXVJNJLXJS-UHFFFAOYSA-N", "SMILES:Cc1cc(COCCN2CCOCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDDSCRYULWTHRK-UHFFFAOYSA-N", "SMILES:Clc1ccc(-n2ccc(COCCN3CCOCC3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUHWTHYCJMUAM-UHFFFAOYSA-N", "SMILES:Cc1cc(COCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWMUDXZAMKMJU-UHFFFAOYSA-N", "SMILES:Cc1cc(COCCN2CCOCC2)nn1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXMSCHTUMGVPZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYXVVNYEPMHYOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUHSKWHUZPOXGI-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccc(-c5n[nH]c6ncnc(N)c56)cc4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEQNPKWJECQREI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVASCWSKTISPPD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(I)c2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRZQHGUTUCYKZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCCC3)c(C(F)(F)F)c2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZUXNKWUPQNEOO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXHCGTZSSVEFO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)c(C(F)(F)F)c2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDAFXJRGETZINF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)c(C(F)(F)F)c2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHFAXZKVPIFJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(F)c2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSYRERIUMUZPX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(Cl)c2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXKIPVSNVYWLJU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(Br)c2)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEABUEXAFVUXER-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(C(=O)Nc3cccc(Oc4ccc(-c5n[nH]c6ncnc(N)c56)cc4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLXBWOKEGSUPS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUADRWVTCFSKMB-UHFFFAOYSA-N", "SMILES:Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3CCCCC3C(=O)NCCN)cc2Cl)cccc1-c1ccccc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJFWWJRENUZMKT-DOXZELHRSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRPGUCLEKHUTO-TZPCGENMSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRPGUCLEKHUTO-DUSBFPBJSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRPGUCLEKHUTO-AKSMUQGVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRPGUCLEKHUTO-NHMULKRUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQONNLUWUCJOW-TZPCGENMSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQONNLUWUCJOW-DUSBFPBJSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQONNLUWUCJOW-AKSMUQGVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQONNLUWUCJOW-NHMULKRUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL68595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEODKJBBFMCWBV-HAHDFKILSA-N", "SMILES:CCCc1c(OCc2ccc(/C=C3\\SC(=S)NC3=O)cc2)ccc(C(=O)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQHKQRXAVNDAFY-UWXQCODUSA-N", "SMILES:COc1cc(Br)c(C(=O)N[C@@H](Cc2cccc(Oc3ccccc3)c2)[C@@H](O)CN(CCc2ccc(Cl)cc2Cl)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDOGMBNDABKFAA-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4NS(=O)(=O)c4cc(Cl)cc(Cl)c4O)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLTZESSDYPJGAR-GJFSDDNBSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGMYOCDCGSKKEG-GJFSDDNBSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTIGYWUXAQJAND-GJFSDDNBSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccc(F)c(F)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YROCYPHIXRWIFQ-GJFSDDNBSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCLOPCQGCQNUDQ-VQIWEWKSSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1cccc(C#N)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAAVVDNBZQGXTF-GJFSDDNBSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccccc1C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZXLFXESXHGLA-GJFSDDNBSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVZGJAQWZVCGH-GJFSDDNBSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCLDQVHNBMJEQ-GJFSDDNBSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOGMCLMSIOZGG-GNAFDRTKSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)c1ccc2c(c1)OCCO2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJPUUAMONBFLC-VQIWEWKSSA-N", "SMILES:COc1ccc(CCC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPQZZEAFUPGHCD-LNLSOMNWSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccc2ccccc2c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAOYPSGPRSXTC-IMFLJNHTSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)C1CCCc2ccccc21.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRYAIAODAJRAK-UFTMZEDQSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEVSOCLWOOMPQA-LNLSOMNWSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(S(=O)(=O)N(C(C)C)C(C)C)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTUQTOBDLCHQK-VQIWEWKSSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNYSECSUYENNT-GNAFDRTKSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIWIBQLEPQPCAT-VQIWEWKSSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHMCESPNSQLTB-LNLSOMNWSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(S(=O)(=O)NC3CCCCC3)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXARZLPPSXIVDE-UFTMZEDQSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJBPYJOVYTRIF-HZPIKELBSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNNFEMCQLJYFTP-GJFSDDNBSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(N(S(C)(=O)=O)S(C)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOJDKIXAFOGVHP-VZYDHVRKSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNYSECSUYENNT-BQAIUKQQSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHFYXMYCKRKJPY-VQIWEWKSSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)C2CCCCC2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJITQJBXJAIJW-VQIWEWKSSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADYFQJGALSOQLQ-VZYDHVRKSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)C(C)C)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSSOBVFYMCYEB-VEIFNGETSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC(C)C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMQMDILWAVVPW-GNAFDRTKSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNUJYLPARVAKJY-PFEQFJNWSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWEYXTXBNKOJDM-GNAFDRTKSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(F)c(OC)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVHIXDQKTHXPKH-GNAFDRTKSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(Cl)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWDMNNQLXDXZLW-GJFSDDNBSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(Cl)cc(OC)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWMXDAVQIXTIG-GNAFDRTKSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTJVKLRIZRAUQV-GNAFDRTKSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(Cl)c(Cl)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPXOGPUNKWTLHO-GNAFDRTKSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBHLCXBWZYDEU-GNAFDRTKSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(C(F)(F)F)c2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZLPGDJSNAYQQ-GJFSDDNBSA-N", "SMILES:CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXMAVUHEHLFQW-VZYDHVRKSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](Cc2ccccc2)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBCOMRJUGFPERR-VZYDHVRKSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](Cc2ccccc2F)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEQTYLHSQFLMU-VEIFNGETSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](Cc2cccs2)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZDRZKQHSBRQY-GNAFDRTKSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](Cc2cc3ccccc3s2)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJENRGOPQYCNDT-GJFSDDNBSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](Cn2cc(-c3ccccc3)nn2)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDWZBXZUHFHKEB-VEIFNGETSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CN2CCOCC2)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQGGUICXWFWAU-GJFSDDNBSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C2CCCCC2)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQOVQIZJHNAMSV-GJFSDDNBSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C2=CCC=CC2)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRNMMZGJYVDBIO-BQAIUKQQSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C2CCCC2)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJMGOSCHNJZQT-FSRHSHDFSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC2CC2)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRENPFZCNFCSFF-ZMBIFBSDSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C2CC2)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHXODUHLNFTSE-FSRHSHDFSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CC(C)C)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYCXHMRQMBDSM-ZMBIFBSDSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C(C)C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADMPTJIKXHLVTM-BOXHHOBZSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C(C)(C)C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMAUKIHPTJPGRQ-GMUIIQOCSA-N", "SMILES:CCCC[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEUXKTXZMENHE-UNTBIKODSA-N", "SMILES:CCC[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGOSETMFQVZKPE-PKLMIRHRSA-N", "SMILES:CC[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPVGDGOGFOZHQ-BTQNPOSSSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](C)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGWKRDTUKHWCK-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)NCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDTCSXLFJMAIBW-UNTBIKODSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CSC)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWJDQECTESALAX-UNTBIKODSA-N", "SMILES:COC[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTCXZLADFLROFV-UNTBIKODSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CCSC)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZSLJIXQPDAYKI-UNTBIKODSA-N", "SMILES:COCC[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXBCWNABWJUHR-GMUIIQOCSA-N", "SMILES:CCOC[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOHEGQBRNRXCF-PKLMIRHRSA-N", "SMILES:COc1ccc(CC(=O)NC(=N)N[C@H](CO)C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNMESNEBXVLMN-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2Cc1cccc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFBUOBBSOOGVSW-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2Cc1cccc(-c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVOGTRECSERJK-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2Cc1cccc(C2=CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFFVTRPKTJJSSG-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2Cc1cccc(C2=CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCLSOHWOVKXMM-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2Cc1cccc(C2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXROEYEGKRILN-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2Cc1cccc(C2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIMSQILLWCPUDF-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2Cc1cccc(OCC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNIHOBBFWPVMD-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2Cc1cc(Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWDPJBXOVOYKJ-UHFFFAOYSA-N", "SMILES:COc1ccnc(Cn2cnc3c(N)nc(Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPCZSDQCBMLSV-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2Cc1cc(OCC(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMUNMQNRGXDNZ-UHFFFAOYSA-N", "SMILES:CC(c1cc(OCC(F)F)ccn1)n1cnc2c(N)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMUNMQNRGXDNZ-ZETCQYMHSA-N", "SMILES:C[C@@H](c1cc(OCC(F)F)ccn1)n1cnc2c(N)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMUNMQNRGXDNZ-SSDOTTSWSA-N", "SMILES:C[C@H](c1cc(OCC(F)F)ccn1)n1cnc2c(N)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFYGZSYNMMUSHT-AODPUEIUSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITOGHQZMHIZULY-AWUYFMCKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMGPMNRVGWCQG-QERKEPTDSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBZSTMDESBRSPR-HHNNQTEASA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRZXCIYQCOHGMQ-SGZJGTLXSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNNHYURYXSOAQG-DXHJNKFUSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)c1cccnc1)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCMBXGZXKCIND-SGZJGTLXSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIAYJYXYKDASPX-FXSPBZBHSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZVLFHAVJPPNU-RYSINKJVSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZVLFHAVJPPNU-KIRMNUAMSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFHJUNWIENNTBS-AGKYTKAJSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEXQOXNBKRHTMU-AGKYTKAJSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQBYVYKBDRSFBD-HSHVSHKTSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQVFPTVEULJPX-OKIZOJHASA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPYGHVGNBYMEY-OKIZOJHASA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPYGHVGNBYMEY-NTLGPEGMSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPYGHVGNBYMEY-OFGZVKDRSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPYGHVGNBYMEY-RCIIOCPRSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPYGHVGNBYMEY-UKAZHYSDSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLOPTVZFIWYIPW-BMWUWKSTSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O)C(C)(C)C)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUGPRRKVIYUSFR-FLMSYLTMSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O)C(C)(C)C)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKVWVEOVBSSJJF-ZMHOLRAJSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)[C@@H](C)O)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBVAHXXYLZOMTI-WWOYFABJSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(C)(C)S)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTMMOBYAAOFOJA-QGAUDRBESA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)(C)S)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGGNPIDYSEJHB-BYEIRUMPSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)(C)S)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHUUUZFLZAMFHF-FUHCZIKHSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)(C)S)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C"]}
{"name": "Na(+)/H(+) exchange regulatory cofactor NHE-RF1", "xref": ["CHEMBL.TARGET:CHEMBL4523125"], "id": "UniProtKB:O14745", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Na(+)/H(+) exchange regulatory cofactor NHE-RF2", "xref": ["CHEMBL.TARGET:CHEMBL4739686"], "id": "UniProtKB:Q15599", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKUKICYRGCSNQB-UHFFFAOYSA-N", "SMILES:CCN(CC)C(CNC(=O)c1cn(-c2ccc(C)cc2)nn1)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWBQXJWRJMISR-HKUYNNGSSA-N", "SMILES:COC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDOMQJIBYHPTGG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTKDBPCIMYQNO-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCC2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVSVIAYGJNSAR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C(=O)NCCC3CCCN3C)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMKJDSCXRJKPBF-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)CCC(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIUNJCSTWLBNFS-HKUYNNGSSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDWHZYVXEYFGHC-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCCC2)CC1)c1noc(-c2ccc(F)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYENVWDVDVFRHH-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWZUSZWEHRBGEN-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPAAFEOCXYBIQI-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(Br)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAOQXLVMJBUKLO-UHFFFAOYSA-N", "SMILES:CCN(CC)C1CCN(C(=O)CCC(=O)c2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQVFKLLPWTZHM-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cn(-c2ccc(C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQOJTRPLHCSNS-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCCC2)CC1)c1cnn(-c2ccc(F)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJVSIIJSDQSQC-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWOUFCRMNVUVLA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C(=O)NC3CCN(C4CCCCC4)CC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKUCPNDUEWMUHK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C(=O)NC3CCN(C(C)C)CC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNADBFMOGTMLL-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(C(=O)CCC(=O)c2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXUXNQVHUKYGOX-KUHUBIRLSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1CO)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBVUHRAMHPJYNI-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCCC2)CC1)c1nnc(-c2ccc(F)cc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWJCAKRUUFOTE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCC2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXFYOAHMPGDMV-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)c1ccc(F)cc1)NC1CCN(C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJUBRRHSUDSLS-UHFFFAOYSA-N", "SMILES:CN1CCCC1CCNC(=O)CCC(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKTRDNDMJSKEPR-UHFFFAOYSA-N", "SMILES:CN1CCOC(CNC(=O)CCC(=O)c2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQZMARGZPHBHA-ICSRJNTNSA-N", "SMILES:CN(C)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCOHCCXNRVPTA-UGKGYDQZSA-N", "SMILES:CCO[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPUDIQBEGHYOY-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCCC2)CC1)c1cn(-c2ccc(F)cc2F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMDUQAIJFWAUNH-UHFFFAOYSA-N", "SMILES:CCN1CCCC1CNC(=O)c1cn(-c2ccc(C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQZMARGZPHBHA-UYAOXDASSA-N", "SMILES:CN(C)C(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUAXPSAOYJXKFV-RXVVDRJESA-N", "SMILES:CO[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWYWYOSBWFRBG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHKYOFCAKUBOB-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccccc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQDOWOXIAXSJEB-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)c1ccc(F)cc1F)NC1CCN(C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDYUHSYHKYFDAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C(=O)NCC3CN(C)CCO3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUGITYQUQSYPW-UHFFFAOYSA-N", "SMILES:CCN1CCC2(CC1)OCCN2C(=O)c1cc(-c2ccc(Br)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVQQEZVYANVBI-IBGZPJMESA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)CC1(F)F)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCXUMCYFWSHMT-UHFFFAOYSA-N", "SMILES:COCCN1CCC(NC(=O)c2cc(-c3ccc(F)cc3F)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJCSHBIFSXBNBN-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFWPWFCBKEUQW-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTXXSGOASSCJPW-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)CCC(=O)c1ccc(F)cc1F)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMDHUSGKMICQM-WMZOPIPTSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OODZMTSUUJPDSW-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccc(F)cc2F)on1)N(Cc1ccccc1)C1CCN(C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUHDOYWRTROPHC-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CC(F)F)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVMZHQBPLQDDSP-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)c1ccc(Cl)cc1F)NC1CCN(C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGESAZWCLRHYBI-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGFAHZBTMHKSX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cn(-c2ccc(C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJXNMCYMVCIEEW-WMZOPIPTSA-N", "SMILES:NC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHWFGJPDXAVZHQ-HKUYNNGSSA-N", "SMILES:CNC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUZZAWNHHXAPG-FPOVZHCZSA-N", "SMILES:CCN(C)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYIGNZAPUIKHE-FPOVZHCZSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)N1CCC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUADBOIENWIZFV-UNMCSNQZSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)N1CCCC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVBMDIFFJGSIT-UNMCSNQZSA-N", "SMILES:COCCN(C)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYGAMKUVSZBJPM-ICSRJNTNSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NCCO)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQJXTBUZRFLEB-ZCYQVOJMSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPOZCCCTWTLIC-UPVQGACJSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)Nc1ccccc1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWLDIRLPGVXBJK-UPVQGACJSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NCc1ccccn1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJBUSOIELMWFS-AHWVRZQESA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NCCc1ccccc1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAPCYMWRWDTGOA-BDYUSTAISA-N", "SMILES:CN(CCc1ccccc1)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCWYLRFOQOZOR-MOADCYBESA-N", "SMILES:C[C@@H](NC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCWYLRFOQOZOR-YBGOQADZSA-N", "SMILES:C[C@@H](NC(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCWYLRFOQOZOR-QRJOEMBSSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCWYLRFOQOZOR-PZGSVQSZSA-N", "SMILES:C[C@H](NC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFYCZMOEIVZLG-LUPFDQBXSA-N", "SMILES:C[C@@H](NC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YALDVBFKMVLJRU-SCTDOJESSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)N[C@H](CO)c1ccccc1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUNYICLXDJVARY-ZCYQVOJMSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NCCc1ccccn1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIGYWMMZVOOQS-UPVQGACJSA-N", "SMILES:CC(C)(NC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOLXGWIZOQOXAE-UPVQGACJSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NC1(c2ccccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSAFSOFFNBTGX-GMAHTHKFSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTOPLDDLOJUXKM-RDJZCZTQSA-N", "SMILES:O=C(N[C@H]1CCNC[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFCQFCHQYIWEAN-WMZOPIPTSA-N", "SMILES:CN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIFTVUDJNAGXBF-HKUYNNGSSA-N", "SMILES:CCN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPFYIFELGDXNA-ICSRJNTNSA-N", "SMILES:CCCN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOHWLCEOZCLMI-ICSRJNTNSA-N", "SMILES:CC(C)N1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXSFGIHWBMGUFY-ICSRJNTNSA-N", "SMILES:O=C(N[C@H]1CCN(C2CC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIDSHAJKXPUYSL-FPOVZHCZSA-N", "SMILES:O=C(N[C@H]1CCN(CC2CC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKLGYSXKZLVSCF-FPOVZHCZSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIPIEXWIGGRJLF-UNMCSNQZSA-N", "SMILES:O=C(N[C@H]1CCN(CC2CCC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQMTTHGZSYLRA-UNMCSNQZSA-N", "SMILES:O=C(N[C@H]1CCN(C2CCCC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVJLXIAHLNHSGM-FPOVZHCZSA-N", "SMILES:CC1(CN2CC[C@H](NC(=O)c3cc(-c4ccc(F)cc4F)on3)[C@@H](C(=O)NC3(c4ncccn4)CC3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCOWERZUOCNRPO-ICSRJNTNSA-N", "SMILES:O=C(N[C@H]1CCN(CC2(F)CC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHVASGJXQHWLJT-ICSRJNTNSA-N", "SMILES:O=C(N[C@H]1CCN(CCCF)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMQQKOOATRBQER-ICSRJNTNSA-N", "SMILES:O=C(N[C@H]1CCN(C2CC(F)(F)C2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIQMJKKBIXUIDS-ICSRJNTNSA-N", "SMILES:COCCN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRPGBVWRZIOUHS-HKUYNNGSSA-N", "SMILES:CC(=O)N1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIDSHAJKXPUYSL-CTNGQTDRSA-N", "SMILES:O=C(N[C@H]1CCN(CC2CC2)C[C@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1"]}
{"name": "Atypical chemokine receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4739676"], "id": "UniProtKB:P11613", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Atypical chemokine receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4739671"], "id": "UniProtKB:O89039", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Atypical chemokine receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4105796"], "id": "UniProtKB:P56485", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJDWYPPSXAAQP-RVKKMQEKSA-N", "SMILES:CC#Cc1nc(NCc2cccc(Cl)c2)c2ncn(C[C@@H]3SC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDCSENONORYFR-RVKKMQEKSA-N", "SMILES:CC#Cc1nc(NCc2cccc(Br)c2)c2ncn(C[C@@H]3SC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNVNRPRYPAWAGL-RVKKMQEKSA-N", "SMILES:CC#Cc1nc(NCc2cccc(F)c2)c2ncn(C[C@@H]3SC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEYKDSRQXAECCF-MBNYWOFBSA-N", "SMILES:O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJGNSRTDWXVEA-MBNYWOFBSA-N", "SMILES:O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYUSMRSYJFQLIO-MBNYWOFBSA-N", "SMILES:O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c(NCc3cccc(F)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJFSSNSVVHFPD-IXPVHAAZSA-N", "SMILES:O[C@@H]1[C@H](O)CS[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKSUSBQIYJJDGC-RVKKMQEKSA-N", "SMILES:CC#Cc1nc(NCc2cccc(I)c2)c2ncn(C[C@@H]3SC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHTYMXPBACJJH-MBNYWOFBSA-N", "SMILES:O[C@@H]1[C@H](O)CO[C@H]1Cn1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVKHQXTSJJJBY-MBNYWOFBSA-N", "SMILES:O[C@@H]1[C@H](O)CO[C@H]1Cn1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNJLPUNKRNXONY-MBNYWOFBSA-N", "SMILES:O[C@@H]1[C@H](O)CO[C@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFHYSLDEVNARR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(C(C)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIVYUYYPBSQCPE-AWEZNQCLSA-N", "SMILES:Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(C(C)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSWFJYHVKCDSX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(C(C)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMWEZWUWJDREU-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2CCc3ccc(Br)cc3C2)n2nc(C(C)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITNTKTWRALOFE-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(C(C)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VECLGHRVJLUYFO-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQKUYZPKPAMNR-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXASWVFBAUSQM-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCOELSGXGLYKL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBSDBCCFBLCBIV-ITGUQSILSA-N", "SMILES:COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1N[C@H]1C[C@H]2CC[C@@H](C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAGSKZSJRBBRA-LQDVMPOASA-N", "SMILES:COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NC1C[C@H]2CC[C@@H](C1)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCQNQQKHTBVCCY-RBVVOMGSSA-N", "SMILES:COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NC[C@H]1C[C@H]2CC[C@@H](C1)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOUTRGINDAXOO-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPWNBVMNTWSJB-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPWHMDATXFXAQF-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFNESJOOAPVOD-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHPLTMNJIZQXSC-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(C(=O)Nc3ccccc3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARCKEDFLGKMUNT-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(CCCO)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWJXFVLYPYGUCO-HNQUOIGGSA-N", "SMILES:N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(/C=C/CCO)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVSIZDQHJCGHDR-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSYVWBDQYOGCV-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(-c3ccccc3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSLAAUOSIGCHPK-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(-c3cccc(F)c3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCWOIUMTMBPNM-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2cnc(Nc3cnc(C#N)cn3)cc2NCC2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWOXOUEEDYSLF-GOSISDBHSA-N", "SMILES:COc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWOXOUEEDYSLF-SFHVURJKSA-N", "SMILES:COc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@@H]2CNCCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKBSVWMOYSAQKV-KRWDZBQOSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@@H]3CNCCO3)c(-c3ccc(F)cc3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHCXQHWTRNWIJ-QGZVFWFLSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(-c3cccc(F)c3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHCXQHWTRNWIJ-KRWDZBQOSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@@H]3CNCCO3)c(-c3cccc(F)c3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSUVMORJRBIMY-QGZVFWFLSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(-c3cccc(Cl)c3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJBZVNOURNFTD-OAHLLOKOSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(-c3ccc(F)c(F)c3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOGMAGZWKFKAL-QGZVFWFLSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(-c3cc(F)cc(F)c3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPKKCBFCZHSYIP-CQSZACIVSA-N", "SMILES:Cc1cnc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYKCQUYMKJVQI-OAHLLOKOSA-N", "SMILES:Cn1cc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYKCQUYMKJVQI-HNNXBMFYSA-N", "SMILES:Cn1cc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@@H]2CNCCO2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICXIWZZELJHOKA-GOSISDBHSA-N", "SMILES:Cn1cc2cc(-c3cnc(Nc4cnc(C#N)cn4)cc3NC[C@H]3CNCCO3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIYUTUKKRBDUGR-GOSISDBHSA-N", "SMILES:Cn1ncc2cc(-c3cnc(Nc4cnc(C#N)cn4)cc3NC[C@H]3CNCCO3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDZXROKRAQBADP-MRXNPFEDSA-N", "SMILES:CC(C)(O)C#Cc1cnc(Nc2cnc(C#N)cn2)cc1NC[C@H]1CNCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDZXROKRAQBADP-INIZCTEOSA-N", "SMILES:CC(C)(O)C#Cc1cnc(Nc2cnc(C#N)cn2)cc1NC[C@@H]1CNCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGFJKRMWBHUEJX-SFHVURJKSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@@H]3CNCCO3)c(C#CC3(O)CCCC3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPYAJJPHDPVEBQ-AWEZNQCLSA-N", "SMILES:C#Cc1cnc(Nc2cnc(C#N)cn2)cc1NC[C@@H]1CNCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMHIWCNISWJNOZ-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(Nc2cc(NCC3CNCCO3)c(C#N)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLMGTBZCLAAPL-AWEZNQCLSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@@H]3CNCCO3)c(C3CC3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSNBUKMEBPSBIJ-LLVKDONJSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(Cl)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZJWOVJBMCRTH-LLVKDONJSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(F)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169078", "category": ["biolink:ChemicalEntity"], "name": "SRA-737", "xref": ["InChIKey:YBYYWUUUGCNAHQ-LLVKDONJSA-N", "SMILES:N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(C(F)(F)F)cn2)cn1"], "synonym": ["Sra 737", "Sra-737", "Sra737", "CCT-245737", "CCT245737", "CCT245737 FREE BASE", "PNT-737", "PNT737"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJPLMHILUSSDSL-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(n1)CCN(C(=O)c1cc(Br)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTBPYQTUPHELII-UHFFFAOYSA-N", "SMILES:CCCNc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUAUOQRPMMQITE-UHFFFAOYSA-N", "SMILES:CCNc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDXBTZWYRHPQKU-UHFFFAOYSA-N", "SMILES:CNc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYTUKVKDCUEPZ-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRIZHYKGLQFGRL-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLUJKUYIHDQREP-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(n1)CN(C(=O)c1cc(Br)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPQSAUYYBXYIEW-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(n1)CN(C(=O)c1cc(Cl)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYQOJBOWPOPMU-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(n1)CCN(C(=O)c1cc(Cl)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZMGTHMVDWUUQT-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTCIFSNJLFELCS-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(N(C)C)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFXZHBSOWUDMV-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSVKNSRVXROQF-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKMAXXMFUWTFAG-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDOMDMTVCXVCIW-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(N4CCCC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYCZHBTOWXKFD-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(N4CCCCC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBMFCRSLAVOJV-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(N4CCOCC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGAJAWKAWAHBKQ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(N4CCN(C)CC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOMVXATSGYQNR-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ncc3c(n2)CCN(C(=O)c2cc(C(C)C)c(O)cc2O)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOMXOQCRGCOQMS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ncc3c(n2)CCN(C(=O)c2cc(C(C)C)c(O)cc2O)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHJOASUAGIDLOR-UHFFFAOYSA-N", "SMILES:COc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNTRGXQGSZZFCB-UHFFFAOYSA-N", "SMILES:CCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMCCFZWBCZGOZ-UHFFFAOYSA-N", "SMILES:CCCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVJMBZCROXMNIH-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMAOHXJGJAJBM-UHFFFAOYSA-N", "SMILES:CCCCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCAOMYRYULDBS-UHFFFAOYSA-N", "SMILES:CC(C)COc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWRSGJLDCZNVTH-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(OC4CCCC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNWDIFKFIKKGO-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(OC4CCCCC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUQMKRUWAISON-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(OC4CCOCC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGLGENAVWJXGZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(OC4CCN(C)CC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVBLXNOBXPQRE-UHFFFAOYSA-N", "SMILES:COCCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTXKZRQYISKVGN-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(OCCN(C)C)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFPHFOEAUTJGC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPRUFEFPFZENDR-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(OCCCN(C)C)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFMOKJXZGDMMJW-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCCC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRCOVWTHJTHJY-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCCCC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFQZRZQGLZXMM-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCOCC4)ncc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGHLZYVLWOMISK-UHFFFAOYSA-N", "SMILES:COCCOc1nc2c(c(OC)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVGCPTXIMZTDMK-UHFFFAOYSA-N", "SMILES:CCOc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRJOMPPLYXPYRB-UHFFFAOYSA-N", "SMILES:CCCOc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDQHDMKXYCVUAO-UHFFFAOYSA-N", "SMILES:COCCOc1nc2c(c(OC(C)C)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMXXYIWDMRZGFZ-UHFFFAOYSA-N", "SMILES:CNc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMKQKCZJMSQJLS-UHFFFAOYSA-N", "SMILES:CCNc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZHPABEAHJLNS-UHFFFAOYSA-N", "SMILES:CCCNc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BROQZESEKQCKQC-UHFFFAOYSA-N", "SMILES:COCCOc1nc2c(c(NC(C)C)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUOBBLUXJOLWKO-UHFFFAOYSA-N", "SMILES:COCCOc1nc2c(c(NC3CC3)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGEYYZRDECMTSS-UHFFFAOYSA-N", "SMILES:COCCOc1nc2c(c(N(C)C)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMCBLLJSSZKHFH-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDCYLKHJRBXKY-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)ncc1cc3c(cc12)[nH]c1ccccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILQHIFZADPDJBZ-UHFFFAOYSA-N", "SMILES:Cc1c2cnc3ccccc3c2cc2[nH]c3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDDWJPCIWDXSS-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)ncc1cc3c(cc12)[nH]c1ccccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTBKGBJNGTKQS-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBFFDSGEOZGWCK-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHWBIBURMMWDKZ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFQLNFXKRXENAT-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDAIYDYJXZDGW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)c3ccn(CCCCCCC(=O)NO)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573339", "category": ["biolink:ChemicalEntity"], "name": "PI-103", "xref": ["InChIKey:TUVCWJQQGGETHL-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJOPPUMRIOOTRK-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCCC(=O)NO)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANIUKDSNUOBOH-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCCCC(=O)NO)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWPSAJVRHXBADZ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCCCCC(=O)NO)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVDAMNLGKTMIT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(N3CCOCC3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZZHYFTEZHJGZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)NO)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULMIGGMIKBGPOR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYKSINUYVKUXMV-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)NO)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEHNRHQCNRVORU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(CO)cc3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWPUJBNBZHNQO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AREJUGAYBXWFOK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERFGLSPELTWBZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKMJDNBKXJUGR-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNZNPVSVHKMRS-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cn[nH]c3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJMACHNDGYEEHH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc4cn[nH]c4c3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAHXCGZZQBKUGR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(O)c3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYKARLNLVCETR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1ccc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRODINGBCOBDIW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(O)c3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNAEGUPIHAXQI-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(OCCO)c3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZRMEPZYCDOQR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(OCCO)c3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYQTORCXQCKAR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKDDEGABLQYMCZ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCC(CO)CC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MICDBFQXDUFEPP-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCC(O)CC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHZCUMSOMYADJ-SOFGYWHQSA-N", "SMILES:COc1ccc(-c2nc(N3CCOCC3)c3ncn(CCNCc4ccc(/C=C/C(=O)NO)cc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHABLKFQZZGAJ-AATRIKPKSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)c3ncn(CCNCc4ccc(/C=C/C(=O)NO)cc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMUCZDLQIKGHP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N3CCOCC3)c3ncn(CCNCc4ccc(C(=O)NO)cc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1851943", "category": ["biolink:ChemicalEntity"], "name": "PRACINOSTAT", "xref": ["InChIKey:JHDKZFFAIZKUCU-ZRDIBKRKSA-N", "SMILES:CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC"], "synonym": ["Pracinostat", "Pracinostat", "Sb939", "SB 939", "SB-939"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4756541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDDJJKHNGAOCH-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IESJNOLDTXKVKQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCJGJFHRSTAIG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPKJQVXIPXZKJQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCCc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPOPHHMWUCUHD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCNc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPOKNYKEZIGQTQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCNc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMPDUOAXELDMAP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCSc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJIJWFWCMIPCCS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCSc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMEGJWWPDKBOER-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBBNQRFXWXBZQP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCCOc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBGPXUXLKXFCMK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCCOc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRYGIWQWQUCIB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZQHJQVCAOUAB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQQITDIAVWGLB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTAWANUDJJHDQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUDGFGWHFCRND-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cncnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKWWMYKJKUXAL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2ccnnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMUCVWASWOAHCM-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJZKXJVIGQCID-UHFFFAOYSA-N", "SMILES:Cc1cnc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAKQUGAXVQPKJW-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(Nc2ccccc2)cc1-c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBSHHMGDGBGNHS-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(Nc2ccccc2)cc1-c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARXKMGRNHJWHRP-YPXUMCKCSA-N", "SMILES:O=C(N/N=C/c1ccc(Cl)cc1)N1CCc2ncnc(Nc3ccc(F)c(Cl)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPEVPAXNDMIGAF-OXUBWTJQSA-N", "SMILES:O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ncnc(Nc3ccc(F)c(Cl)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYMYJCFUPJCFS-OXUBWTJQSA-N", "SMILES:O=C(N/N=C/c1ccc(O)c(Br)c1)N1CCc2ncnc(Nc3ccc(F)c(Cl)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPWGCNJLMFPREW-LUOAPIJWSA-N", "SMILES:CS(=O)(=O)c1ccc(/C=N/NC(=O)N2CCc3ncnc(Nc4ccc(F)c(Cl)c4)c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWOWHTLJLIYBBC-AOJZPQQRSA-N", "SMILES:O=C(N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2ncnc(Nc3cccc(Br)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSYQQFFHWCTGQV-RPPGKUMJSA-N", "SMILES:CS(=O)(=O)c1ccc(/C=N/NC(=O)N2CCc3ncnc(Nc4cccc(Br)c4)c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOKOFNUYCBFVDX-VPUKRXIYSA-N", "SMILES:O=C(N/N=C/c1cccc(C(F)(F)F)c1)N1CCc2ncnc(Nc3cccc(Br)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAFOAYXHMEFMS-KBKYJPHKSA-N", "SMILES:O=C(N/N=C/c1ccc(Cl)cc1)N1CCc2ncnc(Nc3cccc(Br)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKMVOUBXGXTOON-VPUKRXIYSA-N", "SMILES:O=C(N/N=C/c1cccc(Br)c1)N1CCc2ncnc(Nc3cccc(C(F)(F)F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPJVQYOHBAIAC-MPRHAZATSA-N", "SMILES:O=C(N/N=C/c1ccc(OC(F)(F)F)cc1)N1CCc2ncnc(Nc3cccc(C(F)(F)F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJPLHAFMUFSEO-WXMAUWIXSA-N", "SMILES:O=C(N/N=C/c1ccc(F)cc1Cl)N1CCc2ncnc(Nc3cccc(C(F)(F)F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDJMQRLJRNDAY-XKJRVUDJSA-N", "SMILES:CS(=O)(=O)c1ccc(/C=N/NC(=O)N2CCc3ncnc(Nc4cccc(C(F)(F)F)c4)c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRNHTUEITYZIH-VPUKRXIYSA-N", "SMILES:O=C(N/N=C/c1ccc(Cl)cc1)N1CCc2ncnc(Nc3cccc(C(F)(F)F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQOOVUWSBGMCPE-WXMAUWIXSA-N", "SMILES:O=C(N/N=C/c1ccc(Cl)cc1Cl)N1CCc2ncnc(Nc3cccc(C(F)(F)F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLAXMHQWTOCNAO-XKJRVUDJSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)N2CCc3ncnc(Nc4cccc(C(F)(F)F)c4)c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGNVAVQZDSOAGO-UHFFFAOYSA-N", "SMILES:O=C(CCc1nc2ccccc2s1)N1CCc2ncnc(Cc3ccc(F)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMFUTZFKCPWOQ-IBGZPJMESA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIPXMGDUFOASGE-FQEVSTJZSA-N", "SMILES:CCN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXWMFRRCLBJBAT-UHFFFAOYSA-N", "SMILES:Cc1nc(CN(CC2CC2)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPANCIFVAOMEHK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3cnn(C)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDJZPAXVDUJFO-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUAZXZMLXPBEGD-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPXDIWPSDVIKDE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXAASLPAHRRQET-UHFFFAOYSA-N", "SMILES:COc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRZDJFKLMYQRHD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPTRCGOYHAYNCF-SFHVURJKSA-N", "SMILES:CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKIKXFUYXLJCAG-NRFANRHFSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(NCCCN2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLFBFWLJHYUJV-FQEVSTJZSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(NCCN2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGUZRQSQAVIFOT-DEOSSOPVSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCN(C)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTGLNYATQXBKQ-QHCPKHFHSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDRYPHNMWBQUIU-SFTDATJTSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@H]3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDRYPHNMWBQUIU-RTWAWAEBSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@@H]3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMAKANBXHLCMHH-FVJLSDCUSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2C[C@@H](C)N(C)[C@@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMLDTRNPXORID-JXFKEZNVSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)[C@@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMLDTRNPXORID-UZLBHIALSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJSALXFDFCOWBD-JXFKEZNVSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJSALXFDFCOWBD-UZLBHIALSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPBEGLEDVYMAX-NRFANRHFSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C3COC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBKLYKZXWKSILS-NRFANRHFSA-N", "SMILES:Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C3CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQZMUPSYOFJVOG-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)C1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXZVGIKTAXJAW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBKNEJOYSLPTE-UHFFFAOYSA-N", "SMILES:CCc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGJNQQDLWWGHQ-UHFFFAOYSA-N", "SMILES:CCNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKHVOUPIFOKCT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKLDEVPLRSVCRG-UHFFFAOYSA-N", "SMILES:Cc1nc(CN(C)C2CCCc3cccnc32)c(C#N)c(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVNZPRJJUBDNI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N(C)CCO)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJXQXDJHIHBQR-KRWDZBQOSA-N", "SMILES:CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C(F)(F)F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIMQJITBSGPDU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(C3CC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMFUTZFKCPWOQ-UHFFFAOYSA-N", "SMILES:Cc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTBGXKTPWWLAX-UHFFFAOYSA-N", "SMILES:CNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANHPBPULVGQNC-UHFFFAOYSA-N", "SMILES:CCOc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIRKAYIKCNCCSB-UHFFFAOYSA-N", "SMILES:Cc1nc(CN(C)C2CCCc3cccnc32)c(F)c(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVIBBAOCTXQGAG-UHFFFAOYSA-N", "SMILES:O=C1N(O)CCCCN1O"]}
{"name": "1-phosphatidylinositol phosphodiesterase", "xref": ["CHEMBL.TARGET:CHEMBL4739677"], "id": "UniProtKB:P14262", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1396"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUZGOMMSPOLEK-UHFFFAOYSA-N", "SMILES:CCCCCOC(=O)CC(CSP(=O)([O-])OCC[N+](C)(C)C)C(=O)OCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCNUHCTROYFDH-UHFFFAOYSA-M", "SMILES:S=C([S-])OC1CC2CCC1C2.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWNAKNYHCYLMJ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc(O)cc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIEPONPDOLBLIU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NCc2ccccc2Cl)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXBOUDCXZWCYKU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NCc2cccc(Cl)c2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOUHZLKXJDOBNZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NCc2cccc(Br)c2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNQLXMJBKUUMHY-UHFFFAOYSA-N", "SMILES:O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(O)c(O)c2)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4764501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBAHRQDIWLSSI-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1300909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOVHZRJNQMRRP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NCc2ccccc2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOUWFIYFGSINRD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NCc2ccc(Cl)cc2Cl)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAIODEZFMSXHFQ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccc(Cl)cc2c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFDFYPLSWRHIPX-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccc(C(=O)O)cc2c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMYZAFOXJKZSN-UHFFFAOYSA-N", "SMILES:COc1cc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4762284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSKYHJNCARWJN-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(OC(=O)N(C)C)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEOHQJXAJZHHDQ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(OC(=O)N(CC)CC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVSVQJANVZBUMV-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(-c2cc(=O)c3c(O)cc(OC(=O)N(c4ccccc4)c4ccccc4)cc3o2)cc1)N(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVXLNJOMSHCFDF-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(OC(=O)N(C)CC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAYVYUJUNJKXFY-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(OC(=O)N(C)OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYEGTFAZVTYFGU-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(-c2cc(=O)c3c(O)cc(OC(=O)N4CCCC4)cc3o2)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWSYYZZFZXAFC-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(-c2cc(=O)c3c(O)cc(OC(=O)N4CCOCC4)cc3o2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIDPZFBRBDRGU-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1ccc(-c2cc(=O)c3c(OC(=O)N(C)C)cc(OC(=O)N(C)C)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBGXXUPMENAELF-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(-c2cc(=O)c3c(OC(=O)N(C)CC)cc(OC(=O)N(C)CC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFOHLCXWDVQYDH-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)Oc1ccc(-c2cc(=O)c3c(OC(=O)N(C)OC)cc(OC(=O)N(C)OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUMYMQPCYFGEJ-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(-c2cc(=O)c3c(OC(=O)N4CCOCC4)cc(OC(=O)N4CCOCC4)cc3o2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKUILIKFHHXNNL-VWLOTQADSA-N", "SMILES:CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(C(=O)O)cc3)C(=O)[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4788620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXZZXFILXVNSF-AWEZNQCLSA-N", "SMILES:N[C@@H](CCCCNC(=O)c1ccc2nc3c4cccnc4c(=O)cc-3oc2c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFARPUMLVPDJQN-HNNXBMFYSA-N", "SMILES:NCCCC[C@H](NC(=O)c1ccc2nc3c4cccnc4c(=O)cc-3oc2c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWKHLVZXHJEBJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGXDJDXYCHCQN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(OC)c(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLUPXFVZMAQDMF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCSYQJYKYYMFC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)c(OC)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFALPFTUGPTOD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)c(OC)cc1N1CCC(N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKHJHRUYPCHLAP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)c(OC)cc1N1CCCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFKPANEFAADFV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)c(OC)cc1N1CCN(C2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDFMQYYSVNPIA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)c(OC)cc1N1CCC(N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMXPDYKQYFDRV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUYIUFDSIHSCZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEADNNPWMCNAC-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2cc(-n3c(SC)nnc3-c3ccc(F)cc3)ccn2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRMFEXOOQMAPDO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2cc(-n3c(CCCO)nnc3-c3ccc(F)cc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJHBBUOCKSUYLO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(OC)c(Nc2cc(-n3c(CCCO)nnc3-c3ccc(F)cc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWTHYPRQARXLCM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2cc(-n3c(C)nnc3-c3ccc(F)cc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKLRUEWKYUHYEW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(OC)c(Nc2cc(-n3c(C)nnc3-c3ccc(F)cc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDRWCHBDRZZIX-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)ccc1Nc1cc(-n2c(SC)nnc2-c2ccc(F)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFJUCOAUUKTIT-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NC(=O)NC2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRDVPYKJUYMDN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)NC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGKUTWCMQARBMO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)NC2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABMSYNHFAYKLE-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(NC(=O)NC2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIMYLJABYGWYJY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)NC2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUUCSWMOTPZAGL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(F)c(NC(=O)NC2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APMNVQWXHMDANT-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1NC(=O)NC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UINKKODAXXSAOA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)NC2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVCKXHBVNFZTAX-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NC(=O)NC2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORDUWUAVSSMRX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(F)c1)NC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUVNIRQUZYHQLS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1F)NC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLDUJJLGFXUIQ-YJBOKZPZSA-N", "SMILES:N#Cc1cc(NC(=O)N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFLRYOXJLXOHC-RDJZCZTQSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVMSJXBNLGWAJ-WMZOPIPTSA-N", "SMILES:N#Cc1cccc(NC(=O)N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBTXHDMGPSAOK-YJBOKZPZSA-N", "SMILES:N#Cc1cc(F)cc(NC(=O)N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZFAZBFQLWGLFI-RDJZCZTQSA-N", "SMILES:Cc1ccc(F)cc1NC(=O)N[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHICNXYKSEJEP-WFASDCNBSA-N", "SMILES:O=C(Nc1ccc(F)c(F)c1)N[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXTXCJWSNKURG-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NC(=O)NC2CC(Oc3ccc(C(F)(F)F)cc3)C2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOANEGUNWLBMM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)NC1CC(Oc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUNGPCHBPONEDS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)NC2CC(Oc3ccc(C(F)(F)F)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGIXJYDQVFBSS-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(NC(=O)NC2CC(Oc3ccc(C(F)(F)F)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUTSBBIQQVBFAW-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1NC(=O)NC1CC(Oc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRKKDOLWPMPJKA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(F)c1)NC1CC(Oc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCEUDHTWXXKAEP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1F)NC1CC(Oc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3317836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIHDXHLXSMPQSN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHNZXFPJRSSRS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CN(S(=O)(=O)Cc2ccccc2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXPBHCJFKFTZRJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN3S(=O)(=O)Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBZZLNAYLMWKR-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)N(S(=O)(=O)Cc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYKSNSHSPBHMR-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMPFTPADFOLOJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN(S(=O)(=O)Cc2ccccc2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRHATFEZJXIKV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGIVSBUXSHCSJC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKAGFKSLTZBQDM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNKZDJXNOZWBP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)CCCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGRMYLIJKQLOE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPPLJJWYWCGHE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHSPPPWAMYNOM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccccc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLCFFGODQRHHOW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2cccc(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCSASOVZNDYFT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccc(C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVPQBDSIXCIHI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDSNXZLRJIKKM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABZRNKIAVZTUKC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVZGNCQOZWDJV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDLDKEGJNNWINS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKUOLUVFWCSGL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLGUJUJPXNJNL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJJDSAJLSCRDT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccc(C#N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRZURLQTPFSRO-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)N1CCCc2cc(N3CCN(S(C)(=O)=O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRUBAFRIUSQHA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACRBPCHRUCFRSY-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)N1CCCc2cc(N3CCOCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTBNWCJURNORO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Nc2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVRQEBKHGTAEH-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)N1CCCc2cc(Nc3ccc(C(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZODQQMBJSUQCP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUEILXUBEVHKKA-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(nnn2CCNC(=O)Nc2ccc(C)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVWJZHUTXRNPSG-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(nnn2CCNC(=O)NCCc2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STMPWFFJMBNEGS-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(nnn2CCNC(=O)Nc2ccccc2Cl)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVZZYQFQNGYPT-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(nnn2CCNC(=S)Nc2ccccc2Cl)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOALPCGJLWPBGN-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(nnn2CCNC(=S)NCc2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMIQSYTIHYBEA-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(nnn2CCNC(=S)Nc2ccc(Cl)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJRGTNITOZENBI-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(nnn2CCNC(=S)Nc2ccc(Br)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZNGZKRLLHVDU-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(nnn2CCNC(=S)Nc2ccc(OC)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOXNNPMBOVRNU-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(nnn2CCNC(=S)Nc2cccc3ccccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQUOBZMTTNIYEH-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(nnn2CCNC(=O)Nc2cccc3ccccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYLTXRPPQWQXQB-ZYSBOAIWSA-N", "SMILES:CC[C@@]1(OC(=O)[C@H](C)NC(=S)NC(=O)c2ccc(F)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKMMYYYSLIJBA-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUSQIVICVSUMRQ-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEPCBBNDCGMOQY-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cccc(Br)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWTKUQRCGIZNAC-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUDOVIRTPQEIRT-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFMEVAVUHOGRO-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cccc(F)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHVSKNDQJSDEMD-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(C(F)(F)F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHCHONGYZOJPLR-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cccc(C(F)(F)F)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITNWMLCBAZGWRJ-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMIDTBQDRSQNBM-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVIFAHEYOYBDV-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMMWIXOYIFBPE-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHLLKXJIRFELE-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(Br)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHHFXKLWJHNWMA-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVAZFSKDVNHEI-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(F)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYTOXBARTRHDCO-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(C(F)(F)F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSQDMOVNPUAGB-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(C(F)(F)F)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGVOYLASLCCKAR-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCILORANKRCLJP-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUVZKJDFELQEJA-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQGESGQFKPTIY-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFNIPTXYZZDJJ-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBHWEJEEHUROW-UHFFFAOYSA-N", "SMILES:Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJYZUMPAUFKKL-JOCHJYFZSA-N", "SMILES:N[C@@H](C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJDRKYMABUISG-JPYJTQIMSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)c1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMZQTKJSBAHIN-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC(n2nnc(-c3cccs3)n2)CC1)Nc1ccc(Cn2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJGNJCAVCBWAK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIBOKHKOVUWMS-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCN(Cc2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBZWKVBENZYUFV-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)Cc2nnc(O)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGBDFRYDWBIIFL-KRWDZBQOSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLXAWHSJGSNJF-UHFFFAOYSA-N", "SMILES:c1cc(CN2CCCCNCCNCCCNC2)ccc1CN1CCCNCCNCCCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSFRYXCFRZWAE-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZQFFOXOJONFBB-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(C3CC3)nn(-c3ccccc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLYXQDWVKOWNJ-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(C3CC3)nn(-c3cccc(Cl)c3)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQDBAXHVJMCUAQ-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(C3CC3)nn(-c3cccc(F)c3)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUZYYQVUDVMGT-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(-c3ccccc3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAADEAUTPQGEF-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(-c3ccc(Cl)cc3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVJQOQTZIWVJU-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(-c3ccc(Br)cc3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVEKEXSRIFDKNN-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(-c3ccc(F)cc3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNGDYFQEYGSSRJ-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(-c3ccccc3)nn(-c3ccccc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSTQNKLEDZNSKG-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(-c3ccc(Cl)cc3)nn(-c3ccccc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVHZMRQFNLLMBL-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(-c3ccc(Br)cc3)nn(-c3ccccc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNSPOGPXYRQPOQ-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(-c3ccc(F)cc3)nn(-c3ccccc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOATKAKQABMEU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2CCS(=O)(=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXPHLTUKKCBPA-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CCl)nn(-c3ccccc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZQLIPUTSWSTGN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)Cc1nn(-c2ccccc2Cl)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYTYSVZBBUJYQY-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1nn(-c2ccccc2Cl)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSMTINFLNFPNK-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN(CCO)Cc3ccccc3)nn(-c3ccccc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGXTPIXENFXAO-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN3CCOCC3)nn(-c3ccccc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZDFWVDSDUZHJ-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2nn(-c3ccccc3Cl)c3c2CCS(=O)(=O)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYSAOFVJWFWTA-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN3CCN(Cc4ccccc4)CC3)nn(-c3ccccc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOKOTIEWNUZJQ-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CCl)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRBZYDRPQKZSJJ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMXNIIFLVVVJKU-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOGWYRFXWZTSR-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN(CCO)Cc3ccccc3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIKVHTUDDVQXRO-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN3CCOCC3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINAYCMMOLLZEK-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2nn(-c3ccccc3F)c3c2CCS(=O)(=O)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPJCOHGYSGMTCB-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN3CCN(Cc4ccccc4)CC3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTTXLGGLCKQRP-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN(CCO)Cc3cccc(F)c3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYXHGAPIGNTYPM-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN(CCO)Cc3cccc(Cl)c3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXAPJBUIGHOMLS-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN(CCO)Cc3cccc(Br)c3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNQFAFCHYMMPB-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN(CCO)Cc3ccc(F)cc3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQDXBPRPNLMJHX-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN(CCO)Cc3ccc(Cl)cc3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDIVPSYYUOVSCS-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN(CCO)Cc3ccc(Br)cc3)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXFCYIXVWEFGP-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(CN(CCO)Cc3ccc(Cl)cc3Cl)nn(-c3ccccc3F)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYHYIOLTGJNSN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(CCO)Cc2nn(-c3ccccc3F)c3c2CCS(=O)(=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUOBNYGVOXGOTE-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCO)Cc2nn(-c3ccccc3F)c3c2CCS(=O)(=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQCVJMLIVRXMNP-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCO)Cc2nn(-c3ccccc3F)c3c2CCS(=O)(=O)O3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTVUKIHDJAWDX-UHFFFAOYSA-N", "SMILES:COCCN(Cc1ccccc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWKBVGYXJYCAQN-UHFFFAOYSA-N", "SMILES:COCCN(Cc1ccc(F)cc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORDCYTDJLWGOLJ-UHFFFAOYSA-N", "SMILES:COCCN(Cc1ccc(Cl)cc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBQLVWBPACEYFY-UHFFFAOYSA-N", "SMILES:COCCN(Cc1ccc(Br)cc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOBNSOOJGVMTA-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(F)cc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRQOBLZFLKYFD-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(Cl)cc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTWNTPERXHWQY-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(Br)cc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIHVTRWHCPBZTE-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(F)cc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBGREMWHRQNNRZ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(Cl)cc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZSBPCCAYDQKB-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(Br)cc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRZOWIBPQONFFA-UHFFFAOYSA-N", "SMILES:COc1cc2cc(COCc3c(-c4ccc(F)cc4)nc(N(C)S(C)(=O)=O)nc3C(C)C)oc(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPDRWVMTBQDYLF-JJFYIABZSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/COCc1c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc1C(C)C)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOGUUIOCYMBPV-KWNFFYEBSA-N", "SMILES:CCC(=O)CCCCC[C@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3693786", "category": ["biolink:ChemicalEntity"], "name": "CITARINOSTAT", "xref": ["InChIKey:VLIUIBXPEDFJRF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO"], "synonym": ["Citarinostat", "Citarinostat", "ACY-241", "HDAC-IN-2", "Citarinostat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMOQHLZNJFXULZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECGNBYTSGJNPV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZQYECILTLBYIV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXLSBCOPMLVBLO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCIKNHSGMWWKJR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYWGPFBFQEPPD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOLSUZRXNFSQW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNPLYQHUCJHHLX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOHVOSLUDCLZDO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CC(=O)Nc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMHKOOKREYIIBC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQORXLBOLWWYOS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSHQSOIPYXKQN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBPWDHLPXNWIEG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)N(Cc2ccc(C(=O)NO)cc2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFAFZOVKHRUOL-AATRIKPKSA-N", "SMILES:O=C(/C=C/c1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXLARBWYBWXJIF-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccc(CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C2CC2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYMSRUYUXJKIQR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTVPRSVAUKGLSS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQZVIKDHXXQPKJ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOKVYGTWMFWXDJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPPULHHJZRLITK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(C(=O)Nc2ccc(C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDWCWRHHQCVJF-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1ccc(C(=O)NO)cc1)C(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCGUTJDXRIBKS-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXFBFZWKSNYMQ-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(=O)NO)cc1"]}
{"name": "Histone deacetylase 6", "synonym": ["Protein deacetylase HDAC6"], "xref": ["CHEMBL.TARGET:CHEMBL4739666"], "id": "UniProtKB:F8W4B7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFGZPCVLDNZWSV-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(O)c(O)c1)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCYRDOFAEZEQFE-LJAQVGFWSA-N", "SMILES:CCc1c2c(nc3ccc(OCC(=O)N4CCCCC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMSPARZJINZTP-PEBXRYMYSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVRIABKHDNHPTO-FQEVSTJZSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJQLSYFQXCGJU-QFIPXVFZSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJQLSYFQXCGJU-JOCHJYFZSA-N", "SMILES:COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLGFSKUPGXLEF-PEBXRYMYSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c2c(OCc3ccccc3Br)cccc2o1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKPWJHOYDJGSJ-KRWDZBQOSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)c1cc(=O)c2c(OCc3ccccc3Br)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSBYILJKKPQKCG-NRFANRHFSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1cc(=O)c2c(OCc3ccccc3Br)cccc2o1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSWCBVAFSWSBLD-FQEVSTJZSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c2c(OCc3ccccc3Br)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQTBVWRUXSTGRF-QFIPXVFZSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)c2c(OCc3ccccc3Br)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAOUZQJEJIJXQQ-PLZPTFKGSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1)C(=O)N[C@H](C(=O)OC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPWKTAXLMLRMN-AIFCEMJISA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1)C(=O)N[C@@H](CC(C)C)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYRDFXYTBPYIB-PLZPTFKGSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c2c(OCc3ccccc3Br)cccc2o1)C(=O)N[C@H](C(=O)OC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQFULDQAZWFGV-AIFCEMJISA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c2c(OCc3ccccc3Br)cccc2o1)C(=O)N[C@@H](CC(C)C)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFFOARSMZVEQBA-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(S(N)(=O)=O)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMRAUEYCFQUGMY-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2ccc(S(N)(=O)=O)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMVUYNQVYVTCAD-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBXYUQQMXZEFHT-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)CCC(=O)O)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELVDAASTYCGLD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(-c3cn4c(=O)n(-c5ccccc5)nc4c(N)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYUZNYKJEXWEDG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(-c3cn4c(=O)n(-c5ccccc5)nc4c(N)n3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTCHREKOQTXWSQ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)c3ccc(O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLWLJZILYDDRR-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)c3ccc(O)c(O)c3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACRJLRFSMBLFGK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(C(=O)Nc2ccc(-c3cn4c(=O)n(-c5ccccc5)nc4c(N)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYCKBRKVXWUEH-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)c3ccc(C(=O)O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARIKPPKBPXIUMQ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)c3ccc(C(=O)NO)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYILDTWBSDDXCD-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMHKECGGURHQAS-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)c3cccc(S(N)(=O)=O)c3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEUAYKQUCKIUFX-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NCc3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVYPZGQTDTPGE-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NCC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXOMDNKNONGBRR-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)CCNCCc3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNBYIQXICDOOY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)CCNCc3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXDIWZSFIJLNH-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)CCNC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYCUVSPDUOPHX-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(NC(=O)CCNC(=O)c3cccc(S(N)(=O)=O)c3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLIDXFVLGVQXNZ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(OCCNCCc3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEFMHDHCVMLFV-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(OCCNC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTBCEGHBBCZMF-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2O)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTWVDXLRBRAQC-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(O)c2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDZYQJHCWIITJ-YHBFFDROSA-N", "SMILES:CC[C@@]1(OC(=O)NCCOCCO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAOMOPKBIMYUNA-JCRCIQJISA-N", "SMILES:CC[C@@]1(OC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLMSTFRQWZJEO-KCPPUMRQSA-N", "SMILES:CC[C@@]1(OC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(C)=O)[C@H]2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OODZGXFISRDDBF-PFWJTCEESA-N", "SMILES:CC[C@@]1(OC(=O)NCCOCCO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(C)=O)[C@H]2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOAKQKJOYIBVEE-KFZJDPNESA-N", "SMILES:CC[C@@]1(OC(=O)NCCOCCOCCO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVSRIDZUOMZSNU-HUPNSGMUSA-N", "SMILES:CC[C@@]1(OC(=O)NCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWLOLNDWNFRRGC-UUMMGYILSA-N", "SMILES:CC[C@@]1(OC(=O)NCCO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(C)=O)[C@H]2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYOZRFEUDQFQB-ZPIQBZDWSA-N", "SMILES:CC[C@@]1(OC(=O)NCCOCCOCCO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(C)=O)[C@H]2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBMCFKYSTHHHCC-MOGUPZAVSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(\\C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKAYWYIUBMYHDM-YQHRJHOASA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1)CC/C=C(\\C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQRZLRGGGLRPR-MONITXDDSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\\C)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNCIJOTFHBIRC-VBSYMXEPSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDDZGMMSHBCTK-MQRHHAAQSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\\C)C(=O)NCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUKQYPVUJLLDQO-NPRDSXBQSA-N", "SMILES:COc1ccccc1CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWOYMCMUKJEMPU-JFKYVIAOSA-N", "SMILES:COc1cccc(CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)CCc3cc(O)cc(C)c3O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QABPJGBAVRTIBH-HKHCYISZSA-N", "SMILES:COc1ccc(CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)CCc3cc(O)cc(C)c3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOZICLAEHWFGNP-MONITXDDSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\\C)C(=O)NCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHTHAULOEMCOFP-XCJUXNEMSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\\C)C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWUJSJDDOCYPO-DITSJAMCSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(\\C)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNQIXLRPODSKH-FSMDLUNWSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYLMCVWEUMKMAG-YSNLIDFFSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(\\C)C(=O)NCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQFXGAYUZCOEKX-DCLABPJJSA-N", "SMILES:COc1ccccc1CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZRXDXXITCTWEX-MVBSHUEISA-N", "SMILES:COc1cccc(CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGUGPJDIVDBMT-RSLCYTJCSA-N", "SMILES:COc1ccc(CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTDDPFFMIAOBD-DITSJAMCSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(\\C)C(=O)NCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWZJUIKPPGWRF-LHANBVJKSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(\\C)C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEGGYPPJSJNDGB-JAUCPEOQSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1)CC/C=C(\\C)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUHGTFRRCPEOO-JLBKHOIOSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMOFVVQGMQKDZ-ZSAHREGPSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1)CC/C=C(\\C)C(=O)NCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYLOJILKXIRSL-SPAJWBDZSA-N", "SMILES:COc1ccccc1CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENCATHWXMUPEU-QUVVVVJCSA-N", "SMILES:COc1cccc(CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)CCc3c(C)c(O)cc(C)c3O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJHLSKFCCOIANP-OOPUVKFSSA-N", "SMILES:COc1ccc(CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)CCc3c(C)c(O)cc(C)c3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQHWULYLAFHIBP-JAUCPEOQSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1)CC/C=C(\\C)C(=O)NCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXWBMAMCHPHGC-SQDBDZGRSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1)CC/C=C(\\C)C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAMLELDKQOPNEV-RQOWECAXSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)OC/C=C\\CCCNc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXEPDVGFEVPUHO-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHYPDHDBEOGKKR-HWKANZROSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCC/C=C/C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGGRLHHYHPJIQ-OWOJBTEDSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCC/C=C/C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVDTRVNCVHDDN-UHFFFAOYSA-N", "SMILES:Fc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXBBKLCOLSTJCW-IHWYPQMZSA-N", "SMILES:CC1CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)C/C=C\\CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989908", "category": ["biolink:ChemicalEntity"], "name": "ENASIDENIB", "xref": ["InChIKey:DYLUUSLLRIQKOE-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1"], "synonym": ["Enasidenib", "Enasidenib", "Enasidenib", "Ag 221", "Enasidenib", "AG-221", "CC-90007 Free Base", "Enasidenib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4786533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHFJRPDWWVMFY-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)OCCCCCNc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVOSATBGCNATES-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXPHPKFSQNEPGK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCOGXXQLQGBJS-HNQUOIGGSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCC/C=C/C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQLXIVNWHIVQK-UHFFFAOYSA-N", "SMILES:CC1(C)CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)OCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIDYKKSRZCFFX-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQZXVUAKAHERHL-UPHRSURJSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOC/C=C\\C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEOXITYZCCONL-UHFFFAOYSA-N", "SMILES:C=CCOC(C)(C)CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFAJWEDAJNVOPX-UHFFFAOYSA-N", "SMILES:CC1(C)CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)CCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOCGCORCHKGDD-UHFFFAOYSA-N", "SMILES:CC1CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)CCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIIQDTYKKYOHS-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1nc(Nc2ccncc2)nc(-c2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVVDHJNPIMDNOF-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHTXNDNLQILJAY-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1nc(Nc2ccccc2)nc(-c2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZAZPOXLXSXHKB-ARJAWSKDSA-N", "SMILES:CC1(C)CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)C/C=C\\CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMMQRPFAUETKS-IWQZZHSRSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)OC/C=C\\CCNc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTJJIEVWKZKWEI-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCIFSNFMKJMGG-DUXPYHPUSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCC/C=C/C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXUFXCKELUACPZ-UHFFFAOYSA-N", "SMILES:CC1(C)CCNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)CCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEWADTGOHXMXQV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2nc3nc(n2)Nc2cc(Cl)cc(c2)CCCCOCCN3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVHBTMZMTSRPOP-UHFFFAOYSA-N", "SMILES:C=CCOC(C)(C)CNc1nc(Nc2ccccc2)nc(-c2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAFCYQRGWFMLPN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKSKRFXAZZPNE-UPHRSURJSA-N", "SMILES:Fc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOC/C=C\\C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTOBJSPIZKGERB-UPHRSURJSA-N", "SMILES:FC(F)(F)c1cccc(-c2nc3nc(n2)Nc2cc(Cl)cc(c2)C/C=C\\COCCN3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRYQRIKEBQGVBJ-IHWYPQMZSA-N", "SMILES:Cc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOC/C=C\\C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCBBBUWAGUIOLS-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc2cc(c1)OCCCCCCNc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUGOCBFCKUBNQN-UHFFFAOYSA-N", "SMILES:O=C1OCCCCCNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc1cc(C(F)(F)F)c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBJRUMMYIYWBP-UHFFFAOYSA-N", "SMILES:O=C1NCCCCNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc1cc(C(F)(F)F)c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMPWPKEINLBGY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMYPNMHGHYVTK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)Nc1cccc(-c2cccc(N3CCCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNGGFHHNUHNZHQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2cccc(N3CCCC3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIMRXEZGWZSFSQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2cccc(N3CCCCC3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLDOWVZZAVABQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTQSIWVISQQENL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMAJEJLSUKYWNS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEEVDVXRORJEOZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKASKLIVIQNLDZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHEWBSPQLGLBRR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(N3CCCCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKTAHYHPTHBEGB-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(C#N)c(N3CCN(C(=O)C(=O)NCCO)CC3)nc(-c3ccccc3)c2CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COUBAAFONYPCNR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CC(C)(C)OC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTAHPYVIBYLTSU-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C(=O)C(=O)NCCO)CC2)c(C#N)c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBXWSQKSDHADQT-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)N1CCN(c2nc(C)c3c(c2C#N)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANHISESTTICLRL-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(N2CCN(C(=O)C(=O)NCCO)CC2)c(C#N)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JETTYEQJBFGAEX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVXEAQUDFKUJJ-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(C(=O)COc3coc(C)cc3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEDHVSISTYIDI-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)NCCNc1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSGKISBVMQGSQN-UHFFFAOYSA-N", "SMILES:Cc1occc(=O)c1OCC(=O)N1CCN(c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3438703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSZJDVYYFCUVMJ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=O)COc3c(C)occc3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3438700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRDWVKLWWEOHT-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(C(=O)COc3c(C)occc3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLWJZJXVUPCPP-UHFFFAOYSA-N", "SMILES:Cc1occc(=O)c1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKACQVPFJCEQQB-UHFFFAOYSA-N", "SMILES:Cc1occc(=O)c1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3438738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDZNNWWPDGILK-UHFFFAOYSA-N", "SMILES:Cc1occc(=O)c1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLMBQXIZKJAQAQ-UHFFFAOYSA-N", "SMILES:Cc1occc(=O)c1OCCN1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMSYZFZYYFWIQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)N2CCN(CCOc3c(C)occc3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUNTXBWRJOFNU-UHFFFAOYSA-N", "SMILES:Cc1occc(=O)c1OCCN1CCN(C(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYWOCBRZPCRAD-UHFFFAOYSA-N", "SMILES:Cc1occc(=O)c1OCCN1CCN(C(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAAJIYKUPXDEQX-UHFFFAOYSA-N", "SMILES:Cc1occc(=O)c1OCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKXKRYCAVMVCY-UHFFFAOYSA-N", "SMILES:Cc1occc(=O)c1OCCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPAXPXPEMPOWGE-UHFFFAOYSA-N", "SMILES:Cc1occc(=O)c1OCCN1CCN(C(=O)c2ccco2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWEPJDMBAGWUOJ-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccccc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPKATIYYADFAW-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1cccc(C)c1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SASXDYIDYKHAHB-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccccc1C)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHCZIVFQASELX-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccc(C)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYZXPAKZCKVCR-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccc(C(C)C)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCTRZSNQRZQFMR-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1cc(C)cc(C)c1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUDYAHMLFFDKH-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccc(Br)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRKMNOCVRAHTH-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1cccc(Br)c1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVOOPTGUBVXDFL-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccccc1Br)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSAIUVJBLQFTNH-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccc([N+](=O)[O-])cc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSZPBDXISRMJF-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccc(SC)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVNIZAVCTVDJJA-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1cccc([N+](=O)[O-])c1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKAGSMMGAVCAA-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1cccc(Cl)c1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZBCNVSKKPEYAC-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccc(Cl)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QISNLKFKSGXOTH-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccc(Cl)c(Cl)c1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRSPSAEELMRQV-UHFFFAOYSA-M", "SMILES:COC(=O)c1ccc(COc2c(OC)ccc3cc4[n+](cc23)CCc2cc3c(cc2-4)OCO3)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZPSYZLCIAPPV-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccc(C#N)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCFXZJWIYZUDE-UHFFFAOYSA-M", "SMILES:COc1cccc(COc2c(OC)ccc3cc4[n+](cc23)CCc2cc3c(cc2-4)OCO3)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZOZYFBDXFAVLI-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccc(C(F)(F)F)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFQHFRSCLMQIH-UHFFFAOYSA-M", "SMILES:COc1ccc(COc2c(OC)ccc3cc4[n+](cc23)CCc2cc3c(cc2-4)OCO3)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIFGXRFRTRCQAC-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCc1ccc2ccccc2c1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJLBNOAIJYONY-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OC(C)c1ccccc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIWVNJFXRKZAGI-FJNNMDBYSA-N", "SMILES:N[C@]1(C(=O)O)[C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPAZEPBIOFZFEF-UZEWAWMVSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@@H](C)OC(=O)[C@H]1[C@@H]2C[C@H](F)[C@@](N)(C(=O)O)[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583959", "category": ["biolink:ChemicalEntity"], "name": "BIS(PYRROLIDINYLTHIOCARBONYL)DISULFIDE", "xref": ["InChIKey:KCGUGVQODCQMBI-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N1CCCC1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121516", "category": ["biolink:ChemicalEntity"], "name": "BIS(PIPERIDINYLTHIOCARBONYL)DISULFIDE", "xref": ["InChIKey:KNBRWWCHBRQLNY-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N1CCCCC1)N1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4740651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCULAXXPRRCFKY-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)n1cccc1)n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCSTUXWHWFJDX-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)n1cccn1)n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIWZDMEFARRSI-UHFFFAOYSA-N", "SMILES:c1csc(SSc2nccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNIKQNJCKSDIZ-UHFFFAOYSA-N", "SMILES:c1nnc(SSc2nncs2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3185770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLFWWMPGNMXFI-UHFFFAOYSA-N", "SMILES:c1csc(SSc2cccs2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL508112", "category": ["biolink:ChemicalEntity"], "name": "BENZOTHIAZYL DISULFIDE", "xref": ["InChIKey:AFZSMODLJJCVPP-UHFFFAOYSA-N", "SMILES:c1ccc2sc(SSc3nc4ccccc4s3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILEZYMARHZUBGD-UHFFFAOYSA-N", "SMILES:C1CCc2sc(SSc3nc4c(s3)CCCC4)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUKMYSHPSEDRR-UHFFFAOYSA-N", "SMILES:C1Cc2nc(SSc3nc4c(s3)CCC4)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYZMRQPVVFJNHQ-UHFFFAOYSA-N", "SMILES:Nc1nnc(SSc2nnc(N)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBYSRSIQTYELL-UHFFFAOYSA-N", "SMILES:Clc1nnc(SSc2nnc(Cl)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PELWOCZMGVLMII-UHFFFAOYSA-N", "SMILES:CCSSc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUPPAQPKOVVHEO-UHFFFAOYSA-N", "SMILES:Fc1ccc(SSc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZVIMICGAXAJE-UHFFFAOYSA-N", "SMILES:Brc1ccc(SSc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEOCWEZOTVCXBR-UHFFFAOYSA-N", "SMILES:Nc1ccc(SSc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQSFPMARKNREB-UHFFFAOYSA-N", "SMILES:Oc1ccc(SSc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPMCQOHIOJGKW-UHFFFAOYSA-N", "SMILES:COc1ccc(SSc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTFSDHCBOMEAB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(SSc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIUNDCTDYBFOQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(SSc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJOLPDDYBVLIB-UHFFFAOYSA-N", "SMILES:Clc1ccccc1SSc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDRWQWRRVPBWRN-UHFFFAOYSA-N", "SMILES:Clc1cccc(SSc2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKRTLDLPMRSPW-UHFFFAOYSA-N", "SMILES:Clc1ccc(SSc2nccs2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJXNFAUNVBBPA-UHFFFAOYSA-N", "SMILES:Clc1ccc(SSc2nccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJOOBYVUSPDHJX-UHFFFAOYSA-N", "SMILES:CCSSc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDOFEDSVXHKGKS-UHFFFAOYSA-N", "SMILES:Clc1ccc(SSc2nncs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQBSXSDAZTDJF-UHFFFAOYSA-N", "SMILES:Nc1nnc(SSc2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYREEAWHZRZDX-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=S)SSC(=S)N(C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVKZYUOSSBDTSF-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)n1ncc2ccccc21)n1ncc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPRXHVWQJWIQJ-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(C(=S)SSC(=S)N2CCC(C(=O)O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QERWHLCKGQAKFU-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(SSc3nc4ccc(OC)cc4s3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCSZDPBMGYTQA-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1cc2cc(Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMOGVGEQJMZOF-UHFFFAOYSA-N", "SMILES:Cc1c(CC(N)=O)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHZMTOJJCQSXHN-UHFFFAOYSA-N", "SMILES:CCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRSSDXMNDPBLQ-UHFFFAOYSA-N", "SMILES:CCCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLOWQOPBSCWQPN-UHFFFAOYSA-N", "SMILES:CCCCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWLXWVQRVHIORL-UHFFFAOYSA-N", "SMILES:CCCCCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVLNBOBFIJMEL-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1[nH]c2ccc(Cl)cc2c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFPRJIBVYBLMFW-UHFFFAOYSA-N", "SMILES:CC(C)c1c(CC(N)=O)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBEKBGXHPHZGDK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1c(CC(N)=O)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBWIUUXBNGYYGO-UHFFFAOYSA-N", "SMILES:CC(C)c1c(CC(N)=O)[nH]c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEPPXITHUOXQU-UHFFFAOYSA-N", "SMILES:O=C1COc2ccccc2N1CCCCN1CCN(c2cccc3sccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXFQWUWUYQYATQ-UHFFFAOYSA-N", "SMILES:O=C1NCC(=O)N(CCCCN2CCN(c3cccc4sccc34)CC2)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGBPCRMSBHXSHV-UHFFFAOYSA-N", "SMILES:COc1ccc2ncc(=O)n(CCCCN3CCN(c4cccc5sccc45)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHOBSYHOPLONDJ-UHFFFAOYSA-N", "SMILES:CN1CC(=O)N(CCCCN2CCN(c3cccc4sccc34)CC2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDOHIMSNJWQAGJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(CCCCN2CCN(c3cccc4sccc34)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSLWKJTVSGHOV-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2ccc(O)cc2N1CCCCN1CCN(c2cccc3sccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHWQDYGWGZBFM-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)N(CCCCN1CCN(c3cccc4sccc34)CC1)S(=O)(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOWLCOXQALKFB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc3c2C(=O)c2nc4ccccc4c(=O)n2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWBMJAMTGIXDS-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cccc2c1C(=O)c1nc3ccccc3c(=O)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVHQKVQLUQKGD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(c2)-n2c(nc4ccccc4c2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISODQNCXDBIUCG-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJTYEJBEYTXMJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSOVSBBNFQRLT-VXLYETTFSA-N", "SMILES:COc1ccc(/C=N/N(C)S(=O)(=O)c2cc3c(cc2C)OCO3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMOOHIOANSYCMR-GZTJUZNOSA-N", "SMILES:COc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEWJTUTYCXHQU-LDADJPATSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C)/N=C/c2ccc(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXKJSPNIMXFFQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNS(=O)(=O)c2cc3c(cc2C)OCO3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3182164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIGFESSDPOCKS-CYBMUJFWSA-N", "SMILES:C[C@@H](Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1683636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWOHCBHAGBLLT-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWVFMERGGNGVGH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NC(C)(O)CC(C(C)C)[Se]2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJMQNGOVXMCDGQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NN4C(=O)CSC4c4ccccc4F)cc3)ccnc2cc1OC1CCN(C(=O)NC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDTVSYMIPDPQBV-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NN4C(=O)CSC4c4c(F)cccc4F)cc3)ccnc2cc1OC1CCN(C(=O)NC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXKHDAARYXGKOE-UHFFFAOYSA-N", "SMILES:COc1cc2c(Sc3ccc(NC(=O)NN4C(=O)CSC4c4c(F)cccc4F)cc3)ccnc2cc1OC1CCN(C(=O)NC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOLOHEGXLBEOKJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Sc3ccc(NC(=O)NN4C(=O)CSC4c4c(F)cccc4F)cc3)ccnc2cc1OCC1CCN(C(=O)NC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZVZQRQPJJLMRS-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NN4C(=O)CSC4c4ccccc4)cc3)ccnc2cc1OC1CCN(C(=O)NC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSVJCFVEJBTDTN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Sc3ccc(NC(=O)NN4C(=O)CSC4c4c(F)cccc4F)cc3)cc(N)nc2cc1OC1CCN(C(=O)NC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEZXPNXJRLRZGD-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCn1cc(COCCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNZAZCAVRTXNGZ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCn1cc(COCCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFSHDVMWPCRLHE-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCn1cc(COCCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTKDEPLKIFMXCV-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCCn1cc(COCCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMDRXZHCAUNXCE-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCn1cc(COCCOCCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUMNCWDRLIUCLR-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCn1cc(COCCOCCOCCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVPAPSVOKULTIO-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-n2cc(COCCOCCOCCOCCOC(=O)CC34CC5CC(CC(C5)C3)C4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTPSQVVKQMIKQC-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCn1cc(COCCOCCOCCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTFYZAXJPBPEU-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1cn(CCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUGHSNOWQIBOG-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1Cc1cn(CCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOKUOTYSPLHSV-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1cn(CCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHJOBMXZIKXLSS-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1cn(CCOCCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMYHDNBQZCYZOO-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1Cc1cn(CCOCCOCCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"name": "Transmembrane protease serine 2", "xref": ["CHEMBL.TARGET:CHEMBL1795140"], "id": "UniProtKB:O15393", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL154533", "category": ["biolink:ChemicalEntity"], "name": "WHILE OLIVETOL", "xref": ["InChIKey:IRMPFYJSHJGOPE-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)cc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL451044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOGOSLLGMYCNL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCc1cc(O)cc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL98610", "category": ["biolink:ChemicalEntity"], "name": "CARDOL", "xref": ["InChIKey:KVVSCMOUFCNCGX-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cc(O)cc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL451919", "category": ["biolink:ChemicalEntity"], "name": "Primin", "xref": ["InChIKey:WLWIMKWZMGJRBS-UHFFFAOYSA-N", "SMILES:CCCCCC1=CC(=O)C=C(OC)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL469433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYVDYNQYBMNJP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4463619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBEDFJLNGRMUQV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4761227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREPTBIQIWHIKG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCc1cc(O)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGYWHJGJQUGSBA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCc1cc(O)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXGOVNFJRDIFO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cc(O)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNBWAHFGNZZKE-UHFFFAOYSA-N", "SMILES:CCCCCc1cccc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRLMMCGTLUUHA-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAFQKIMZHWNCRK-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)C=C(Br)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVSIQUZJRPUQTJ-UHFFFAOYSA-N", "SMILES:CCCCCC1=CC(=O)C=C(OC)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQOUTWWGQSEUCT-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL503824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWWIDYNYLZQEQP-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)cc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4783791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDCWUURASKCKV-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4749311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEHGZQJOMRRDHO-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC(C)=O)cc(OC)c1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RABIEFLUPGXMIQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCc1cc(OC(C)=O)cc(OC)c1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4752615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHITJRPEJQHEC-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)C=C(Br)C1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQLENVKJJQSNV-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)cc(C)c4=O)cc3F)ccnc2cc1OCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTISQOWXDPCOKH-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5)cc(C)c4=O)cc3F)ccnc2cc1OCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPODQAGTCFANLF-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)ccc4=O)cc3)ccnc2cc1OCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIAHWSSTPPXGSH-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5)cc(C)c4=O)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVXIMWRAJKWPSA-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)cc(C)c4=O)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTZDDATYOYPFCJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(F)c(Cl)c5)cc(C)c4=O)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQBYAJLMZMOSR-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(C)cc5C)cc(C)c4=O)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWVIOMJMWCXWJB-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)cc(C)c4=O)c(F)c3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTXLXPGAIUOID-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)ccc4=O)c(F)c3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFOHMFXNIPXTG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5cccc(C)c5)cc(C)c4=O)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZPRFBDJNPYSRZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(C)cc5)cc(C)c4=O)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHRAGOBMSUDFEQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5)ccc4=O)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYGNUGPDMKZMBH-UHFFFAOYSA-N", "SMILES:CCc1cn(-c2ccccc2)nc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCCCCC(=O)NO)c(OC)cc34)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPVTPQGSVLVCI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C(F)(F)F)ccc4=O)cc3)ccnc2cc1OCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUDOJQNRGHULV-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(Cl)c(C(F)(F)F)c5)cc(C)c4=O)cc3)ccnc2cc1OCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRHOIBULWVUJNX-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)cc(C)c4=O)cc3)ccnc2cc1OCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVLQNHWKGYXPMD-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)cc(C)c4=O)cc3F)ccnc2cc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMHJYFCJKFZJI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5)cc(C)c4=O)cc3F)ccnc2cc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDDDBZOQSUMGW-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)ccc4=O)cc3F)ccnc2cc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFYOXKIUKHTGM-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)cc(C)c4=O)cc3F)ccnc2cc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGSTFPOJVRRNG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)cc(C)c4=O)cc3)ccnc2cc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVKJVWOWBUNSEV-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)cc(C)c4=O)cc3)ccnc2cc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAAUJWCNYSRIMM-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5)ccc4=O)cc3)ccnc2cc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSDGFGLHJPFTL-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)cc(C)c4=O)cc3)ccnc2cc1OCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQRGWGLCCNRTO-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5cccc(C(F)(F)F)c5)cc(C)c4=O)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFLQJNTCXTXDP-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5)cc(C)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKUREMZDVGCZIP-BTKVJIOYSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(C2CNC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRKQGVWPEAXDDG-BTKVJIOYSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(Br)cc1)c1ccc(C2CNC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSKPLCNOGVCTPE-JTHROIFXSA-N", "SMILES:Cc1ccc(/C(=C(\\CCCO)c2ccccc2)c2ccc(C3CNC3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXWXFLBBFZAPX-JGUILPGDSA-N", "SMILES:CN1CC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEIXVZIXMDQNMU-RXQWRGDBSA-N", "SMILES:C[N+]1(C)CC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)C1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOUZXNDXFZVJKT-IRWWKPKRSA-N", "SMILES:CC(C)N1CC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYLMFZGXSLRZEH-IRWWKPKRSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(C2CN(C3CC3)C2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLAQCEAYJSSZQV-DHKWPOFJSA-N", "SMILES:Cc1ccc(/C(=C(\\CCCO)c2ccccc2)c2ccc(C3CN(C(C)C)C3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGSSLFWUOMOCPC-BTKVJIOYSA-N", "SMILES:Cl.Oc1ccc(/C(=C(\\CCCF)c2ccccc2)c2ccc(C3CNC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJBZLAOTVUAQHU-IRWWKPKRSA-N", "SMILES:CC(C)(C)C(=O)Oc1ccc(/C(=C(\\CCCF)c2ccccc2)c2ccc(C3CNC3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGRZCLTBNDBMP-BXGDTPBJSA-N", "SMILES:CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIHKXFVIQOEFM-BXGDTPBJSA-N", "SMILES:Cl.OCCC/C(=C(/c1ccc(C2CCN(C3CC3)C2)cc1)c1cccc(O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATAGNEQOVPGVSV-BXGDTPBJSA-N", "SMILES:CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDNJZFSSWGBXNV-BXGDTPBJSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(C2CCN(C3CC3)C2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASRUDRRSDDQRHE-RXQWRGDBSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(C2CCNCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJWJHRMGFQDPR-IRWWKPKRSA-N", "SMILES:CN1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTOLBGZDBFZKGL-BXGDTPBJSA-N", "SMILES:CCN1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYKHCGHJGYAEB-FJISBNMDSA-N", "SMILES:CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVWFGPVZBFQAI-FJISBNMDSA-N", "SMILES:Cl.OCCC/C(=C(/c1ccc(C2CCN(C3CC3)CC2)cc1)c1cccc(O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKVWXDMJXHFGCP-FJISBNMDSA-N", "SMILES:CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYOFNMPBJCPWJW-FJISBNMDSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(C2CCN(C3CC3)CC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTTODODVNOVCQG-FJISBNMDSA-N", "SMILES:CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQIIMBDZDHWLI-FJISBNMDSA-N", "SMILES:Cl.O=[N+]([O-])c1ccc(/C(=C(\\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVEQWRKDLBYACD-DSPABWSOSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccccc1)c1ccc(C2CCN(C3CC3)CC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLNNRZRUOBBJOO-FJISBNMDSA-N", "SMILES:Cl.Oc1ccc(/C(=C(\\CCCF)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDFBNGKZRQQCQN-FJISBNMDSA-N", "SMILES:CC(C)N1CC=C(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKOGOITKDMAMH-FJISBNMDSA-N", "SMILES:Cl.OCCC/C(=C(/c1ccc(C2=CCN(C3CC3)CC2)cc1)c1cccc(O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBFUVXJBZTWPQ-FJISBNMDSA-N", "SMILES:CC(C)N1CC=C(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFSTFQWEZUREI-FJISBNMDSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(C2=CCN(C3CC3)CC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGYAUKANTNTUQP-FJISBNMDSA-N", "SMILES:CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccc(F)cc3)c3ccc(O)cc3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDAJVTVLCLSCR-FJISBNMDSA-N", "SMILES:Cl.OCCC/C(=C(\\c1ccc(O)cc1)c1ccc(C2CCN(C3CC3)CC2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLKZWHLEAHIRJ-QDDHFQMKSA-N", "SMILES:CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccc(F)cc3F)c3ccc(O)cc3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZIXHQBEURMNU-FJISBNMDSA-N", "SMILES:Cl.Nc1ccc(/C(=C(\\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4597874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVDJTCFLEZIJEJ-QVIHXGFCSA-N", "SMILES:CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMSYSRAKSNCIU-UHFFFAOYSA-L", "SMILES:O=C(Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc4cc(S(=O)(=O)[O-])ccc34)cc2)cc1)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc4cc(S(=O)(=O)[O-])ccc34)cc2)cc1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLYWIKUEZHTSD-PCQDGBDVSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCOCCOc2cccc(C(=O)c3csc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)n3)c2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXLPZZKVYXMXOP-CIDCDNOUSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCOCCOc2cccc(O[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)c2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYLHQRZMZFKBBV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2cc(-c3ccccc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQJAZDVYCQJLU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCXMNZMMAMIGB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODANEQYRWNSLD-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2ccc(-c3ccc4c(C(=O)NCC5CC5)n[nH]c4c3)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMUINYVLBLALD-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3ccc4c(C(=O)NCC5CC5)n[nH]c4c3)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGLCFWDLLLGPT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOJAANWEXSCVCU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2cc(-c3ccc(-n4ccccc4=O)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZDYBRYBGENMG-UHFFFAOYSA-N", "SMILES:Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCC5CC5)n[nH]c4c3)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUVWGFGQJQTGMB-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1n[nH]c2cc(-c3ccc(-n4ccccc4=O)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYCBSFIKWACFBY-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(-c2ccc(-c3cncc(C)n3)cc2Cl)cc2cnc(NCCC3CCN(C)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZXPJQNVEIDPGE-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1n[nH]c2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOVKGICCJYEBQD-UHFFFAOYSA-N", "SMILES:Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCCO)n[nH]c4c3)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARQYNPOVDUMBV-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1n[nH]c2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKJFBCMAPMTVOY-UHFFFAOYSA-N", "SMILES:Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NC5CCOCC5)n[nH]c4c3)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLHTJVOLZBUIM-UHFFFAOYSA-N", "SMILES:Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NC5CCN(C)CC5)n[nH]c4c3)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQPMMYFZXZUER-UHFFFAOYSA-N", "SMILES:Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCC5CCOCC5)n[nH]c4c3)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEIYNZIBZDZOPA-UHFFFAOYSA-N", "SMILES:Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCC5CCN(C)CC5)n[nH]c4c3)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YICZAFSZFVMHTJ-UHFFFAOYSA-N", "SMILES:Cc1cccn(-c2ccc(-c3ccc4c(C(=O)Nc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZJQDTZTIKKTO-UHFFFAOYSA-N", "SMILES:Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIZXIMJEBMKPJY-UHFFFAOYSA-N", "SMILES:Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCCc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTTCTIKLVJICRD-UHFFFAOYSA-N", "SMILES:Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCc5ccccc5)n[nH]c4c3)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNWXNMFUFJGUTF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Oc2ccc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULSFJQHLIQKLR-UHFFFAOYSA-N", "SMILES:CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCS(=N)(=O)CC4)ccc3OCC)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUXBMIQPBEWFH-GXZKXCMSSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONAGARAYIWSFTP-AOCPWYAWSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@@](=N)(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBRHYTYNUKLOBK-DDWIOCJRSA-N", "SMILES:C[C@H](CO)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1Br.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCNAXAEICMASJ-UNCRRSRJSA-N", "SMILES:CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@@H](C)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELYDGOOJPRWGF-SRQXXRKNSA-N", "SMILES:C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc([S@](=N)(=O)C3CC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3644033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLMIHNJHBAEFKC-NXEZZACHSA-N", "SMILES:C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSLLLKLGQJNHL-UHFFFAOYSA-N", "SMILES:CS(=O)(=NC#N)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSIDJSZWZMQRDW-UHFFFAOYSA-N", "SMILES:CS(=O)(=NC#N)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSLLLKLGQJNHL-RUZDIDTESA-N", "SMILES:C[S@](=O)(=NC#N)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNWSUIZYGCLPCO-USXIJHARSA-N", "SMILES:C[C@]1(N2Cc3c[nH]nc3C2)CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEPZZFPPSSQKOU-CGTJXYLNSA-N", "SMILES:C[C@]1(N2Cc3cn(S(C)(=O)=O)nc3C2)CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCQJWNIFFKAQEP-PIPMEXSNSA-N", "SMILES:N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)NC(=O)c4ccccc4)nc3C2)CO[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOLTKZKSOZTCH-IGAIMAHKSA-N", "SMILES:CS(=O)(=NS(=O)(=O)c1ccccc1)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225088", "category": ["biolink:ChemicalEntity"], "name": "GSK2981278", "xref": ["InChIKey:LZLBRISQTJVZNP-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1"], "synonym": ["Gsk-2981278", "Gsk2981278", "Ror gama modulator 1", "GSK2981278"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFTZJLWNYFYDX-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccc(F)cc3)CC2)ncc(S(=N)(N)=O)c1Cl"]}
{"name": "C-C chemokine receptor type 10", "xref": ["CHEMBL.TARGET:CHEMBL2321628"], "id": "UniProtKB:P46092", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUIMAPBJTLSSOW-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccc(F)cc3)CC2)ncc(S(N)(=O)=NC(=O)c2ccccc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTOFCNYYLDADDJ-UHFFFAOYSA-N", "SMILES:CCNC(=O)N=S(N)(=O)c1cnc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(F)cc2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJWYFPMASPAMM-HXUWFJFHSA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDVKGZGYDFGQK-SMAGUSHISA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=N)=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJLSQNOVVHPLP-BWCFFMPASA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCS(=O)(=O)c4ccccc4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANCTJAFZSYTIS-IQUVVAJASA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCS(=N)(=O)c4ccccc4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDXMPVNMHPPQQ-MCFPNGIOSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)C([C@H](C)/C=C/S(=O)(=O)C(C)(C)C)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGBHKZZINIDUSU-IYLMVCPTSA-N", "SMILES:CC#CCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C[S@@]4(=O)=NCCCCN4C(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIYDWQFARRGSKJ-RTHCMUBDSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3cnc(C#N)cn3)ccc2F)C[S@@]2(=O)=NCC(F)(F)CN2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJBWPUVDNODFAY-AUSOSSAASA-N", "SMILES:N#Cc1ccc(C(=O)Nc2ccc(F)c([C@]3(CF)C[S@@]4(=O)=NCCCCN4C(N)=N3)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOHXZINQBNNEIN-NVXHTHCOSA-N", "SMILES:Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)C[S@](=O)(=NCC(F)(F)F)N(C)C(N)=N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGELCVKXEKUAED-NVXHTHCOSA-N", "SMILES:CN=[S@@]1(=O)C[C@@](C)(c2cc(NC(=O)c3ncc(C#N)cc3C)ccc2F)N=C(N)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVXATUJJDPFDM-QGZVFWFLSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4300931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXGSYSDSQRXROA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1644447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCHKHDDJQCHYKT-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOEIQXYQYANYTH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQSVRQMXAKAXBC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZAKKISAVUZDL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNNKRRFVVRKFL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWFFWGIXJPNGAB-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKALEPDZKGMRIQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-n2nnc3c2C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZLJYACJIRCIN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-n2nnc3c2C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLMLEZXCSDABI-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2nnc3c2C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARPJCNWKKIWRJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPMIMTYOSXAJC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2nnc3c2C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMSMMOXZBZCHLO-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTPQCNWSGIFOY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2nnc3c2C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYRQUFIJZVTINC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nnc3c2C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTNBFRUFDPJPW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRDTBIVIKQMFW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQPVOEBIJVEYBN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(C(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SACFFVSIWJHCLR-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZLOHWKYWWRJCH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(Cl)c(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGRUMLZWFNEBE-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(Cl)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOPYRZSOJCJLS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRZOCQZFUMBQDO-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBWHHKUUGWTMS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAYPZUSMYMORJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc2ccncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POHBYNJAHXDZRS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMAWHURGQUSRJY-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1cnc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOKEGJCZJHISM-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDWJCISGUNPDO-UHFFFAOYSA-N", "SMILES:O=C1c2cc(O)ccc2C(=O)c2c1nnn2-c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVUVZMAEKOCMX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)c1nnn(-c3ccc(F)c(Cl)c3)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLAAILBKHAJFQ-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)ccc2C(=O)c2c1nnn2-c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSQYZAWKVNEKI-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(O)cc2C(=O)c2c1nnn2-c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMIMEJVFYKLAGH-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(F)cc2C(=O)c2c1nnn2-c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJSLUPFTZFDRJ-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2ccccc2S(N)(=O)=O)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJDMWJLDFPSOU-ZHACJKMWSA-N", "SMILES:Cc1c(C(=O)/C=C/Nc2ccc(C(=O)O)cc2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVERZUZFBSEEAW-SSDVNMTOSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1sc2nc3ccccc3n2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHCARNVWNXRULP-SRZZPIQSSA-N", "SMILES:C/C(=N\\Nc1ccc(S(N)(=O)=O)cc1)c1sc2nc3ccccc3n2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHRSEUAKMCJOF-ZHACJKMWSA-N", "SMILES:Cc1c(C(=O)/C=C/NNc2ccc(S(N)(=O)=O)cc2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGAZFAUGGQURK-ZHACJKMWSA-N", "SMILES:Cc1c(C(=O)/C=C/NCc2ccc(S(N)(=O)=O)cc2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONZNOSFAUYNLA-ZHACJKMWSA-N", "SMILES:Cc1c(C(=O)/C=C/NNC(=O)c2ccc(S(N)(=O)=O)cc2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQVZORQMEMBMHD-ACCUITESSA-N", "SMILES:Cc1c(C(=O)/C=C/NCCc2ccc(S(N)(=O)=O)cc2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTWQUKZLNDKPN-VOTSOKGWSA-N", "SMILES:Cc1c(C(=O)/C=C/Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWSTYGDWBFTEJF-MDZDMXLPSA-N", "SMILES:Cc1ccc(N/C=C/C(=O)c2sc3nc4ccccc4n3c2C)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMMUYLWFOHBSY-ZHACJKMWSA-N", "SMILES:Cc1c(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFIMSYOLCBXAQ-MDZDMXLPSA-N", "SMILES:Cc1c(C(=O)/C=C/Nc2cccc(S(N)(=O)=O)c2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACGZBCIURXSOD-ZHACJKMWSA-N", "SMILES:Cc1c(C(=O)/C=C/Nc2ccccc2S(N)(=O)=O)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGNHXRITIXCFN-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNLJFGRILDCQEF-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2cccc(S(N)(=O)=O)c2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURIRWNDJSOTFB-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIPDFKKKCULZPA-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GADOXONVQYXDRX-MDZDMXLPSA-N", "SMILES:Cc1c(C(=O)/C=C/Nc2cccc(C(=O)O)c2)sc2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGPIFCCGRDXMY-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHVSEXHEAUJBT-HFNHQGOYSA-N", "SMILES:CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.O=C(O)/C=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOZPXLCYUQMHS-UHFFFAOYSA-N", "SMILES:O=C(CCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c3c(c1)CCN3C(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMODJDXZVARNU-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVFPJOVGMQRLJI-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWSWBVKRQJZUCZ-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQHIUSOYHIMSR-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLXSIVRMNIRPK-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCC(C(=O)c4ccc(F)cc4F)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRZGEKCBGRRIB-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTAGZKRPXFDEPO-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCC(c4nsc5ccccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3965773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDOLSJCBVSDISX-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(c4cccc5sccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKUUWDIJGSUACY-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(c4ncccn4)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMOBLHMKZLPIE-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(c4ccccc4Cl)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNWXXGHORGIMJ-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(c4ccc(Cl)cc4)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUHNGSPHVYFJW-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYJUUGAOMCCSL-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(c4ccccc4F)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMXGCHHYNPXIEU-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(c4ccc(F)cc4)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLPNWORIUMAUFP-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCOc2ccc3c(c2)C(=O)N(C)CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVOZULUNOLYBU-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCMNXZCLONGCPJ-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCC(O)CN3CCC(c4noc5cc(F)ccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXLNPJTNXHHQF-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCC(F)CN3CCC(c4noc5cc(F)ccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSZJZCWVNVBQV-UHFFFAOYSA-N", "SMILES:CCN1CCc2ccc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPFLUQFOAAHFE-UHFFFAOYSA-N", "SMILES:Cn1ccc2ccc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMVVQOQEKIXTC-UHFFFAOYSA-N", "SMILES:CN1COc2ccc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVRDRSJDMMPFB-UHFFFAOYSA-N", "SMILES:CC1CCc2ccc(OCCCCN3CCC(c4nsc5ccccc45)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPATJHWIBFKHY-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFDLYPNEKROUJA-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(c4ccc5ccccc5n4)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHMEGWPLLZUIA-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(OCCCN3CCN(c4ccccn4)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIQNRXMEDLWYLV-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31354", "category": ["biolink:ChemicalEntity"], "name": "WAY-100,635", "xref": ["InChIKey:SBPRIAGPYFYCRT-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVFGQYZEAKLPNE-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2ccc(-c4ccccc4)cc2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNOAYDWBPOULPJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NOC3(CCN(Cc4ccccc4)CC3)N2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFHXYDCZCQCMQ-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2n[nH]c4ccccc24)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZTLDPALWMQJNG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NOC3(CCN(Cc4ccccc4)CC3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCJCMHTXLHJRIY-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2cc4ccccc4cn2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCLFSCYZGSFGQV-UHFFFAOYSA-N", "SMILES:Brc1ccc(C2=NOC3(CCN(Cc4ccccc4)CC3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPLUHALZBYXRV-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2=NOC3(CCN(Cc4ccccc4)CC3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVFUVIHPUNSPOD-UHFFFAOYSA-N", "SMILES:Brc1ccc(C2=NOC3(CCN(Cc4ccccc4)CC3)N2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNWPGNHCPHHUNU-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2=NOC3(CCN(Cc4ccccc4)CC3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDXOFXPRTSDUNZ-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2ccccn2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXUGSYXPBQDUGW-UHFFFAOYSA-N", "SMILES:Fc1cccc(C2=NOC3(CCN(Cc4ccccc4)CC3)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQTUOUMTHPFJMV-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2cccs2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLLITIIYARMOZ-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2nccs2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSPJYWARYNWCN-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2=NOC3(CCN(Cc4ccccc4)CC3)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWMJYPIYYCRFL-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2ccccc2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOMOHNBFUQBTCP-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(C2CC2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUOQORUZHFAIQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ccc(C2=NOC3(CCN(Cc4ccccc4)CC3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSOQLNXONSYCX-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYTUQZHLJIISOG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIKLDKOJUPQVJS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDHOYOALRRXII-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRNANCLBNTOSM-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZJYVFXEUOKQJ-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBJWCUUDKUUCN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMJLYJEJKCTAS-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLOFJZATCBKRK-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOOZHMUUAYCOCY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKAJAFBQSLXMPM-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2ccc(-c4cccs4)cc2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSROIIGOOHDJDQ-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2ccc(-c4cccnc4)cc2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAYJIKHQRLVPBN-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2ccc(-c4ccncc4)cc2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGJLXLAWRICQSZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAOLFAVALELPA-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VONHMBSBJULRMW-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2ccc(C3=NOC4(CCN(Cc5ccccc5)CC4)N3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEKAZKSOHJFPS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)NC(c1ccccc1)=NO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSJRGAWOXVHQV-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC2(CC1)NC(c1ccccc1)=NO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFSICSGBXWMBZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC2(CC1)NC(c1ccc(Br)cc1)=NO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDOHDQPBMWITCL-UHFFFAOYSA-N", "SMILES:c1ccc(C2=NOC3(CCN(Cc4ccccn4)CC3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSAKDKYIICZQIP-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2nccs2)=NO3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOYSKFEKOMYIM-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)NC(c2cc4ccccc4cn2)=NO3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBZUTAJIHZFBK-UHFFFAOYSA-N", "SMILES:c1ccc2cc(C3=NOC4(CCN(Cc5ccncc5)CC4)N3)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKRITSZWAVNQI-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)NC(c1ccccc1)=NO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNXLACPYXNNUAQ-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)NC(c1ccc(Br)cc1)=NO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYCQDFWDLNPMQ-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)NC(c1nccs1)=NO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSLWXVOVCTCET-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)NC(c1ccc(Br)nc1)=NO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USJFTBQRBMJYPB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(C3=NOC4(CCN(C)CC4)N3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSHQWQZCUUNGIV-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)NC(c1ccc(-c3cccc(N)c3)cc1)=NO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLDRBASXSECJO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(C3=NOC4(CCN(C)CC4)N3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKXNXKLCAOBLX-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCC3(CC2)NC(C2CC2)=NO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3323035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYNECUSQBZMSD-UHFFFAOYSA-N", "SMILES:c1cc2c(cc1OCCCN1CCCCC1)CN1CCCC1=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUOKCRZLUPDNO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2cc(OCCCCCN3CCCCC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDZMCKONDQZSV-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQIRLJIMBMOXCB-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2oc2ccc(OCCCCCN3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPGEKBATJPINO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2ccc(OCCCCCCN3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QONNOXSQVWRKPP-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Cl)cc2oc2ccc(OCCCCCCN3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDJVPWEONMVEJ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2oc2ccc(OCCCCCCN3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULETXKLQEAYDAN-UHFFFAOYSA-N", "SMILES:CC1CCCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSEQRAVSHBBQRH-UHFFFAOYSA-N", "SMILES:CC1CCCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCSDFHPKCOZNX-UHFFFAOYSA-N", "SMILES:CC1CCCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORWWEFNRIIMKFU-UHFFFAOYSA-N", "SMILES:CC1CCCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMVAJLTTZJPKV-UHFFFAOYSA-N", "SMILES:CC1CCCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAIDCJHWMODKNB-UHFFFAOYSA-N", "SMILES:CC1CCCN(CCCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZLFIOGMLMGNKL-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIAUCSPOPNRBJQ-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQBDNCOEWGLQTE-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMIDSGXDTGNBGW-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DONNAKRKYALRDB-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRIXXYOKKMTERZ-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIPHGXUVWAHCN-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXYCZQRBHVDER-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Cl)cc2oc2ccc(OCCCCCN3CCCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREXJAZIYYZNSO-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2oc2ccc(OCCCCCN3CCCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTEPKYSLLWLWRZ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2ccc(OCCCCCCN3CCCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCILIRMPOCMLE-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Cl)cc2oc2ccc(OCCCCCCN3CCCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGORWQONHHRXPZ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2oc2ccc(OCCCCCCN3CCCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCCUAVDBGXASEC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Oc1nc(-c2cccnc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBCKRCZJYUIKNW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(-c3ccc(C(=O)O)c(O)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZILEJGYWZTBCD-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCOCCOc2cc(ccc2C(=O)O)-c2cnn3ccc1nc23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZVWSUCYWBUTCA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJRDDOOPABNUSB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cnn3ccc(N(CCOCCO)C(=O)OC(C)(C)C)nc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBUADYJRFXMRSC-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2cc1OCCOCCN(C(=O)OC(C)(C)C)c1ccn3ncc-2c3n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHECKRVNOFUEMM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGRDVRXLHDXHF-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALIDGYWFVJMIM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(-c3coc(C)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGSMZJQJAPEFO-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQANZJJWNOKYSQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ccc(-c2coc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZEPXJXUGJXBDB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(-c3coc(-c4ccccc4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEONKHLDSOXYID-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORGTHMMGPAEPQ-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1nc(-c2ccc(-c3ccc(C)cc3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEOGDARPLRNJL-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3coc(C)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEYNFQKPJRVRRZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(-c3coc(C)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGDOWJYGVQPCC-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3coc(-c4ccccc4-c4cccc(C)c4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHFQXDMZZFPLN-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(-c3ccccc3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKOJUWABGXUEN-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(-c3ccccc3C)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYIYEZDWNMCSP-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMOQXQAWIQTTP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3coc(-c4ccccc4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNYYCUMRBFWJY-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(-c3coc(-c4ccccc4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNINDKPDKLBLHN-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLYIWKGYIZPQC-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(-c3coc(-c4ccccc4-c4ccccc4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOQZELHYUDVIX-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)c(C(=O)Nc3ccc(N)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLPQIHOIJHCNBP-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGOAXOHAYLLFT-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)c(C(=O)Nc3ccc(NC(=N)N)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKOMXQXMFSESD-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGZTAKGLPGMAV-ZWKOTPCHSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWPACVJPAFGBEQ-IKGGRYGDSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)CCl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL87563", "category": ["biolink:ChemicalEntity"], "name": "GABEXATE", "xref": ["InChIKey:YKGYIDJEEQRWQH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1"], "synonym": ["Gabexate", "Gabexato", "Gabexate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL273264", "category": ["biolink:ChemicalEntity"], "name": "NAFAMOSTAT", "xref": ["InChIKey:MQQNFDZXWVTQEH-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1"], "synonym": ["Nafamostat", "Nafamostat", "Nafamostat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL114586", "category": ["biolink:ChemicalEntity"], "name": "SEPIMOSTAT", "xref": ["InChIKey:QMRJOIUGPCVZPH-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1"], "synonym": ["Sepimostat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVYNGLGHVVJKL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)Nc3ccc(O)cc3)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHPUYKXSUPCAAC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccccc3O)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNUCOLGCBTWTDH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccccc3N)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQGVQGTLFBXEP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3cccc(O)c3)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFHUQJFMQWVFF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccc(O)cc3)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNFUESZOLQGRW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccc(CO)cc3)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYXBXIDZFOMBA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)C(=O)NCc3cccc(O)c3)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZPMHLMPKIUGK-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPNSYPJUGLYHO-BASWHVEKSA-N", "SMILES:C/C=C1\\C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKKEILKVMSISG-MLPAPPSSSA-N", "SMILES:CC/C=C1\\C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAZVRQQTYDZGIM-XNTDXEJSSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)/C(=C\\C1CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDERLIUJSXSXFH-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLSXFAYHKCYEDY-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=C1CCC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOKAKLORCVTXIO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVOINJWONMUWBO-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCFHSQPPLWJHU-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)C3CCCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUICABMRXTUSBQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)C(=C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJHBWUUSQLTSKF-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)C(=C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJJUOBCZSSMRRO-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLXGYPZWMOZOJ-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXNDSKVOLPNPI-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)c3cc(C)ccc3F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAWTZKMEFQHUIZ-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCO4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGBELQKKLLKJT-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOIWDXKJUMMKR-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGXQYOLXNNYED-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXSRNUEMUZOLT-BQYQJAHWSA-N", "SMILES:COC(=O)/C=C/c1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNVSZORMQRZHFC-VOTSOKGWSA-N", "SMILES:NC(=O)/C=C/c1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQFNKZHTMDAWMM-BQYQJAHWSA-N", "SMILES:CNC(=O)/C=C/c1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQOYYWXYQFXAQL-CMDGGOBGSA-N", "SMILES:CN(C)C(=O)/C=C/c1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBFRYECCGGAWNW-UHFFFAOYSA-N", "SMILES:COC(=O)C#Cc1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASAZKTOQPZIBAX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOWXVNTWJBWEGH-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCN(CC3CCCCC3)CC2)sc2c(Cl)cc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBADODWEMKWMKK-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCN(CC3CCCCC3)CC2)sc2c(Br)cc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZYERZXPPETEP-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCN(CC3CCCCC3)CC2)sc2c(I)cc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNPYRYOJRYQREZ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQXJLIYMOWZRJ-UHFFFAOYSA-N", "SMILES:COC(=O)CCc1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKJJKCNYZXAFD-UHFFFAOYSA-N", "SMILES:N#CCCc1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZGUXOXQPJWVDK-UHFFFAOYSA-N", "SMILES:NC(=O)CCc1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(CC4CCCCC4)CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDLHRTVGJPHNE-JJKYIXSRSA-N", "SMILES:C/C(=C(/c1ccccc1)c1ccc(OCC(O)CNC2CCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDQOBOLMTKPDHT-BGABXYSRSA-N", "SMILES:CCN(CC)CCNCC(O)COc1ccc(/C(=C(\\C)c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACLUEOBQFRYTQS-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTRWLBHMXKGFT-UHFFFAOYSA-N", "SMILES:CCc1c(C)nc(SCC(=O)Nc2ncc(-c3ccc(OC)cc3)s2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDALDZRKOBJXIE-VXLYETTFSA-N", "SMILES:COc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1505295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBXIAHFWOUNFCV-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CCc2c(sc(N)c2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJDIDKYGUHLOR-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJDASIZKRQHFFS-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1sc2c(c1C(N)=O)CCC(C(C)(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1371081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJNWVICUPNAFY-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRRJZAVFRDACKO-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFFJPSVZZOESD-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUHISVJAYLRTJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWWDUCFRJAUOSH-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Cl)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZBIYLGREOSUQC-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)cc2)sc2c1CCC2"]}
{"name": "Anoctamin-1", "xref": ["CHEMBL.TARGET:CHEMBL4105874"], "id": "UniProtKB:Q8BHY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Anoctamin-2", "xref": ["CHEMBL.TARGET:CHEMBL4739697"], "id": "UniProtKB:Q8CFW1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALVCURPZUVNBJ-ZEQRLZLVSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCc2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXNKCJDNNUJMLU-DQEYMECFSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCc2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPTNCOWNZCOPDL-UIOOFZCWSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIXKAHDJDJAZAG-SVBPBHIXSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCc2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPABSFKMIFHTQB-NSOVKSMOSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCc2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHZVQQVDTSEJNP-UIOOFZCWSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCc2cn(C)c3ccccc23)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRUUQBQVYXVWTH-SVBPBHIXSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCc2cn(C)c3ccccc23)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJKYCKDUCLFNT-NSOVKSMOSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cn(C)c3ccccc23)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3297744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPSJWLTUOGAOQ-IRXDYDNUSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(N)=O)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRLUPOPEWNACEE-GOTSBHOMSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(C)C)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTQFMLRKWSVDW-ZEQRLZLVSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCC(C)C)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURRAEOUFNPGDY-UIOOFZCWSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC2CCCCC2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGNLPNTYTYIPL-SVBPBHIXSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2ccc(C)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBBTFOCPGJEHW-SVBPBHIXSA-N", "SMILES:COc1ccc(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C2(NC(=O)[C@H](Cc3ccc(OP(=O)(O)O)cc3)NC(C)=O)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACHXLADYITGRQ-UIOOFZCWSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2ccc(Cl)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATTZUIWVKJIUFV-KYJUHHDHSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cccc3ccccc23)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGKLINFTFYKPY-NSOVKSMOSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2c[nH]c3ccccc23)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVNKUWCBPEWDR-SVBPBHIXSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn2ccc3ccccc32)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLHZKARFTJYDQQ-TURZUDJPSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cccc(/C=N/c3ccccc3NS(=O)(=O)c3ccc(C)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPZXLTZVPUSTFY-SOFYXZRVSA-N", "SMILES:CCCCOc1ccc(CC/C=C2\\SC(=O)N(CCN)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYZALQTJCVXIJ-HXUWFJFHSA-N", "SMILES:CCCCCCCCc1ccc(CC[C@@](N)(CO)COC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSHQJROTDFWFJ-FYZYNONXSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PITNGBJYBKSVDX-LMOVPXPDSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Cn3cc(-c4ccccn4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMDHYAFQBXOSDI-FYZYNONXSA-N", "SMILES:COc1ccc(-c2cn(Cc3ccc(-c4noc(C[C@@H]5CCCN5C(=N)N)n4)cc3)nn2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZFFPFSVXJRLCE-LMOVPXPDSA-N", "SMILES:Cl.Cn1cc(-c2cn(Cc3ccc(-c4noc(C[C@@H]5CCCN5C(=N)N)n4)cc3)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSJKNWYRWEFJT-FYZYNONXSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCPZBLOMXYPNG-FYZYNONXSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHVEEPPMUIGFR-FERBBOLQSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(-c4ccccn4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBVPHQOLZSWONR-BDQAORGHSA-N", "SMILES:COc1ccc(-c2cn(Cc3ccc(-c4noc([C@@H]5CCCN5C(=N)N)n4)cc3)nn2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTDQKAJVDYLBKU-NTISSMGPSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(-c4cccs4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XARDWBDKXMUSLM-LMOVPXPDSA-N", "SMILES:CCCCc1cn(Cc2ccc(-c3noc([C@@H]4CCCN4C(=N)N)n3)cc2)nn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWAYUWTNXCDMK-FYZYNONXSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(-c4ccc(F)cc4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVUVFOSWOQSQD-NTISSMGPSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(C4CC4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXXBTMQOFJPSY-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)C1(c2nc(-c3ccc(Cn4cc(-c5ccccc5)nn4)cc3)no2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJLUHKZXDMOBW-UHFFFAOYSA-N", "SMILES:Cl.Cn1cc(-c2cn(Cc3ccc(-c4noc(C5(C(=N)N)CC5)n4)cc3)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHEXCFYDSCFOFZ-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)C1(c2nc(-c3ccc(Cn4cc(C5CC5)nn4)cc3)no2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCLVSXDXRYFKE-WWGLSMKPSA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCC(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXOCBGQTUBYBTN-AZKKKJBWSA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSAUIIDIMVOET-NDEPHWFRSA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBOTKANJUIEOD-LJAQVGFWSA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMOPSQMYPFJDOT-MHZLTWQESA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZBQVFPQSQFJCG-PEFOLFAWSA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGQZTNXZBSUXHG-OHMHCFLMSA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCN(Cc2c(F)c(F)cc(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDBFPLNBZWUERI-FZNWDQQTSA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCN(Cc2ccc(OC)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFGSBTSKIFVDPU-NDEPHWFRSA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCN(CC2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDOSYPMIOHKIEJ-QHCPKHFHSA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFFBFOOBTZMDZ-SFHVURJKSA-N", "SMILES:CCCCN[C@@H](CC(C)C)C(=O)NCCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMJNVGGLSQMZAO-NRFANRHFSA-N", "SMILES:CCCCN[C@@H](Cc1ccccc1)C(=O)NCCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJANQVGMMMOETH-UXMRNZNESA-N", "SMILES:CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLZFWPWGCTKQN-PMERELPUSA-N", "SMILES:CCCCN(CCCC)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBPIKNXBIXWZJB-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(C(F)(F)F)cc3)c(Oc3cccc(N(C)C)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPNALSDHWZRMB-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Oc2cc3c(=O)[nH]cnc3cc2NC(=O)COCc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPSRFQSWLLXJT-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)COCc3ccccc3)c(Oc3cccc(N(C)C)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMYVORIOKIIQE-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(C#N)cc3)c(Oc3cccc(N(C)C)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNSMFROXOZHKW-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(Cl)cc3)c(Oc3cccc(N(C)C)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELSMHONCWSNAF-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)CCCOc3ccc(C(F)(F)F)cc3)c(Oc3cccc(N(C)C)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHPBTPZUWIVSNT-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)CCCOc3ccc(C#N)cc3)c(Oc3cccc(N(C)C)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIQRCWGEMAUMQM-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(C(F)(F)F)cc3)c(Oc3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMNQXCLGTZQEK-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(C(F)(F)F)cc3)c(Oc3ccccc3N(C)C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUOYDHEXDOSCY-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)CCCOc3ccc(C(F)(F)F)cc3)c(Oc3ccc(N(C)C)cc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMRXGLAXNGJRIR-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(C(F)(F)F)cc3)c(Oc3cccc(N4CCOCC4)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXLOMXRNXSROR-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)CCCOc3ccc(C(F)(F)F)cc3)c(Oc3cccc(N4CCOCC4)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDMWHXTGZDKCM-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Oc2cc3c(=O)n(CC(=O)N4CCCCC4)cnc3cc2NC(=O)COCc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUWSFGSHPDVGA-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Oc2cc3c(=O)n(CC(=O)N4CCC(F)CC4)cnc3cc2NC(=O)COCc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJZXCTFVZZCKHL-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Oc2cc3c(=O)n(CC(=O)N4CCC(F)(F)CC4)cnc3cc2NC(=O)COCc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGOZASPSWPDZQN-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Oc2cc3c(=O)n(CC(=O)N4CCCC(F)(F)C4)cnc3cc2NC(=O)COCc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STJGPPVIWXNZDP-UHFFFAOYSA-N", "SMILES:O=C(COCc1ccc(C(F)(F)F)cc1)Nc1cc2ncn(CC(=O)N3CCCC(F)(F)C3)c(=O)c2cc1Oc1cccc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDCVSDZLPMSOKN-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Oc2cc3c(=O)[nH]cnc3cc2NC(=O)CCCOc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOFFPRPDYZUEK-UHFFFAOYSA-N", "SMILES:O=C(CCCOc1ccc(C(F)(F)F)cc1)Nc1cc2nc[nH]c(=O)c2cc1Oc1cccc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWVLTGOWXFIAT-UHFFFAOYSA-N", "SMILES:O=C(NCCOCc1ccc(C(F)(F)F)cc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHPNSULUMPWEG-UHFFFAOYSA-N", "SMILES:O=C(NCCCc1ccc(Cl)cc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZDXNUPXBBKHFL-UHFFFAOYSA-N", "SMILES:O=C(NCCCOc1ccc(C(F)(F)F)cc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMVBVZFQLBOPF-UHFFFAOYSA-N", "SMILES:O=C(NCCOCc1ccc(C(F)(F)F)cc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZRPOEYTSYVODP-UHFFFAOYSA-N", "SMILES:O=C(NCCCc1ccc(Cl)cc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGLQGLFVXNVNP-UHFFFAOYSA-N", "SMILES:O=C(NCCOCc1ccc(C(F)(F)F)cc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NURVQHWNVCJQMZ-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(C(=O)NCCOCc3ccc(C(F)(F)F)cc3)c(-c3cccc(F)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZABADCCSPWDP-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(C(=O)NCCCc3ccc(Cl)cc3)c(-c3cccc(F)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJLSHYJGTWJMZ-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(C(=O)NCCOCc3ccc(C(F)(F)F)cc3)c(-c3cccc(Cl)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZCSFFSMWTUFL-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(C(=O)NCCCc3ccc(Cl)cc3)c(-c3cccc(Cl)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXLKFZOIWDSCU-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(C(=O)NCCCOc3ccc(C(F)(F)F)cc3)c(-c3cccc(Cl)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUBDBSUHGFRLSF-UHFFFAOYSA-N", "SMILES:O=C(NCCCOc1ccc(C(F)(F)F)cc1)c1cc2ncn(CC(=O)N3CCCCC3)c(=O)c2cc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWUKTCOWFUUYOZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCOc1ccc(C(F)(F)F)cc1)c1cc2ncn(CC(=O)N3CCCC(F)(F)C3)c(=O)c2cc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJXVVQWQFUPEN-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(F)cc3)c(Oc3cccc(N(C)C)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQIMATACPAUGRC-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Oc2cc3c(=O)[nH]cnc3cc2NC(=O)COCc2ccc(C#N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQKEYUIACWHNI-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOXCVLUAQARJE-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21)Nc1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKVNMWWFYMFCH-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRSANOBFLAIGO-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKRBQWAYBXLNJ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLYNGRLFEMETRY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(C)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZNMTMZFUJSRV-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C)cc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMQHLAZCDUBIB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJWUHBXVCPFLO-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFASXXVLGLIHQQ-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCJCMRWXPNJNQF-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CN1Cc2cnn(C)c2Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUEFWJNTBBMWOX-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGGXRZQVSPMHPD-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPQJQTHYSPRPBI-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CN1c2ccccc2NC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWPNUSZJHHBEEI-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGNPKMRRBOIDGA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJOXURRCWQYPGC-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDCTJJAIOADTB-UHFFFAOYSA-N", "SMILES:CCCCc1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGMIBAKELSLWNR-UHFFFAOYSA-N", "SMILES:CCCC(C)c1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJFUMXNZMVULL-UHFFFAOYSA-N", "SMILES:CCC(C)Cc1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEAFXOCWGBXDNU-UHFFFAOYSA-N", "SMILES:CC(C)CCc1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHLFNYUFUYOOKX-UHFFFAOYSA-N", "SMILES:CCCCCc1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXMDRHVOXTCAK-UHFFFAOYSA-N", "SMILES:CCCCCCc1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXAFEBHSOFJVNI-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXNMUMFXXJUKB-GQCTYLIASA-N", "SMILES:O=c1c2cc(Cl)ccc2ncn1Cc1csc(/C=C/c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCSSQANKKHIZRZ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZLOIPMSYPHQLP-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQBVLRYBFBBGPI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(Cn2cnc3cc(Cl)ccc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPOABUREIRDCOG-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(Cn2cnc3cc(F)ccc3c2=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQPPRGLBKRMKU-VCHYOVAHSA-N", "SMILES:Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNINRDDCPNAGD-RQZCQDPDSA-N", "SMILES:Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQSIMAXLSTJRW-BUVRLJJBSA-N", "SMILES:Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTCRKMFCXCVRX-LICLKQGHSA-N", "SMILES:O=C(O)c1ccccc1/C=N/n1c(-c2ccccc2)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDYRCJYMJBUTDH-CIAFOILYSA-N", "SMILES:O=C(O)c1ccccc1/C=N/n1c(-c2ccc3ccccc3c2)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYAQFNKZLHENBB-LPYMAVHISA-N", "SMILES:O=C(O)c1ccccc1/C=N/n1c(Cc2ccc3ccccc3c2)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYECGFMCDXFCKE-VUTHCHCSSA-N", "SMILES:S=c1[nH]nc(-c2cccc(-c3ccccc3)c2)n1/N=C/c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIIWJMPOAUNFLG-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCSWWXDRJDLYTP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Nc2cc[n+](Cc3ccccc3)cc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVVGSCVBQMZTD-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccccc4)cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANMERKYFFRJHF-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCc3cc[n+](Cc4ccccc4)cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXOWVLWEBWUEGY-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCc3cc[n+](Cc4ccccc4Cl)cc3)ccc2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGTPSQFSPGENRA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc[n+](Cc3ccccc3)cc2)cc1OC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZOODZLTJYSRT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)Nc2cc[n+](Cc3ccccc3)cc2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKYIJYPVCIXDD-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)Nc2cc[n+](Cc3ccccc3)cc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWMFKDSYJUQADC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc2cc(Br)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQLNRXSASBYHV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc[n+](Cc3ccccc3)cc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZFFXBLXBQACBD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2cc[n+](Cc3ccccc3)cc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKZQMDTZAXHJRZ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccccc4Cl)cc3)ccc2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIBVOYCWRENOC-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccc(Cl)cc4)cc3)ccc2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQLUGEZLABBDEV-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccccc4F)cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUFONMMJIRLBOZ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccc(F)cc4)cc3)ccc2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRJYCCWNTAGHQB-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccccc4[N+](=O)[O-])cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNUJOCOPSJJFR-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCc3cc[n+](Cc4ccccc4C)cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZRRFAQGJZDLZ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCc3cc[n+](Cc4cccc(Cl)c4)cc3)ccc2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQXXZXCPKHYDY-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCc3cc[n+](Cc4ccccc4F)cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNPZAUAKSXUJJI-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCc3cc[n+](Cc4ccc(F)cc4)cc3)ccc2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYOFSNGMUVTWCL-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCc3cc[n+](Cc4ccccc4[N+](=O)[O-])cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSLPIPDHHQWTH-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCc3cc[n+](Cc4ccc([N+](=O)[O-])cc4)cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNGTEJPFLHTRC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGBWBYISCJIPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CETFFQOSAZVLDC-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccccc4C)cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDOFNUSWMYHBD-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1cc[n+](Cc2ccccc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBEMIVWNPMDOLB-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2cc[n+](Cc3ccccc3)cc2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMRRRCPLXLHDR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc[n+](Cc3ccccc3)cc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXIPQJTNSSXES-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCc3cc[n+](Cc4ccccc4)cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQANVNZSYDQFF-UHFFFAOYSA-N", "SMILES:CC[n+]1ccc(NC(=O)c2ccc3cc(OC)ccc3c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFXXEZDZRKXZJC-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccc([N+](=O)[O-])cc4)cc3)ccc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJQNGRQQMVAOY-UHFFFAOYSA-N", "SMILES:COc1ccc(C[n+]2ccc(NC(=O)c3ccc4cc(OC)ccc4c3)cc2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTEJOVYMIJVHLG-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2cc[n+](Cc3ccccc3)cc2)cc(OC)c1OC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZTONXNKIGHYGV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccco1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWXTAALDRGNHP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(Cl)cc1Cl.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVMZTNSEUUZQL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(F)c(Cl)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXVBDEWIFBESRQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(F)c(F)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDVRUTSVBMWEGB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRQWTSCDZZBTGR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REMOVURIGMZWST-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(Br)cc1F.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUEXGPUUDCRJFF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1cccc(Cl)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXJXJAFFLCXOKZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOAVQPGIOLXYJA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(Cl)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXSNTFYDNJSRFO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1cccc(Br)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWKDZYDGXKLQA-ZJKDNQKCSA-M", "SMILES:O=C(Cc1ccc(-c2ccc(O)cc2)cc1)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](OCc2ccccc2)(C(=O)[O-])C[C@H](O)[C@H]1NC(=O)CO.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHNDAZPTUFPPE-UIMVIWKFSA-M", "SMILES:O=C(Cc1ccc(-c2ccc(O)cc2)cc1)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@](C(=O)[O-])(n2cc(-c3ccccc3)nn2)C[C@H](O)[C@H]1NC(=O)CO.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDRTQVLAQBORG-PHEPOSLRSA-M", "SMILES:O=C(Cc1ccc(-c2ccc(O)cc2)cc1)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@](C(=O)[O-])(n2cc(-c3ccc(-c4ccccc4)cc3)nn2)C[C@H](O)[C@H]1NC(=O)CO.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRPJRNVNSXIHIS-RXHLSFCXSA-M", "SMILES:O=C(Cc1ccc(-c2ccc(O)cc2)cc1)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@](C(=O)[O-])(n2cc(Cc3ccccc3)nn2)C[C@H](O)[C@H]1NC(=O)CO.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYOIBOONZIMVLA-RXHLSFCXSA-M", "SMILES:O=C(Cc1ccc(-c2ccc(O)cc2)cc1)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@](C(=O)[O-])(n2cc(CC3CCCCC3)nn2)C[C@H](O)[C@H]1NC(=O)CO.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLNSRQYWFDXALK-WSQSDIMESA-M", "SMILES:O=C(Cc1ccc(-c2ccc(O)cc2)cc1)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@](C(=O)[O-])(n2cc(OCC3CCCCC3)nn2)C[C@H](O)[C@H]1NC(=O)CO.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURFFRCRVLKSIR-RXHLSFCXSA-M", "SMILES:C#Cc1ccc(CO[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CNC(=O)Cc3ccc(-c4ccc(O)cc4)cc3)O2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPESDGHSVYDKPO-AFUUWIHMSA-M", "SMILES:O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCn1cc(-c2ccc(CO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CNC(=O)Cc4ccc(-c5ccc(O)cc5)cc4)O3)cc2)nn1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTASYYGEHSXRJI-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(C(=O)Nc3cccc(Nc4ccc5c(OC)cccc5n4)c3)cc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLFWBZMEWIVII-UHFFFAOYSA-N", "SMILES:COc1cc2cc(Oc3ccc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)c(C)nc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOFPYTOXNJKYQJ-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(Nc3cccc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHCIVYQULUSFP-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(Nc3cccc(NC(=O)c4ccc(N5CCN(C)CC5)c(C(F)(F)F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDNEVXCAKHSDH-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(Nc3cccc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVITFRSYYOYJU-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(Nc3cccc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTHETAEMVJBRJ-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(Nc3cccc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLAZVCOGWVCOTB-RGEXLXHISA-N", "SMILES:NC(=S)N/N=C1\\C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMKDWZSHULUDA-CCEZHUSRSA-N", "SMILES:NC1=NNC(=O)/C1=C1/C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUMILUXRBDODDY-XWOHVONBSA-N", "SMILES:Cc1nc(N/N=C2\\C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)sc1/N=N/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWRXEASLPIFFKL-GWDBHANASA-N", "SMILES:COc1ccc(/N=N/c2sc(N/N=C3\\C(=O)N(Cc4ccccc4)c4ccc(Cl)cc43)nc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTCYCQRFOBDPJH-GWDBHANASA-N", "SMILES:Cc1ccc(/N=N/c2sc(N/N=C3\\C(=O)N(Cc4ccccc4)c4ccc(Cl)cc43)nc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVJYVQGFQRIODE-USBDYYCYSA-N", "SMILES:CCOC(=O)/C(=N/Nc1ccc([N+](=O)[O-])cc1)S/C(N)=N\\N=C1/C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXNBJIKMAQJPGF-PUHRYQSPSA-N", "SMILES:CCOC(=O)/C(=N/Nc1ccc(C)cc1)S/C(N)=N\\N=C1/C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBXOOLOZEMSYBN-MFOXLFKDSA-N", "SMILES:CCOC(=O)/C(=N/Nc1ccc(Br)cc1)S/C(N)=N\\N=C1/C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUWJGFDAYZSBNE-MOHJPFBDSA-N", "SMILES:CC(=O)c1s/c(=N\\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)[nH]c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODVACZEVJBUOO-BWAHOGKJSA-N", "SMILES:CCOC(=O)c1s/c(=N\\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)[nH]c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMICXHHXKIDHJ-PGMHBOJBSA-N", "SMILES:O=C1CS/C(=N\\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKKQBEQISSNARC-QYQHSDTDSA-N", "SMILES:O=C1/C(=N\\N=c2\\[nH]c(-c3ccc([N+](=O)[O-])cc3)cs2)c2cc(Cl)ccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZKHKJICZVMNNF-QYQHSDTDSA-N", "SMILES:O=C1/C(=N\\N=c2\\[nH]c(-c3ccccc3)cs2)c2cc(Cl)ccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHUBXQVVRDSLGO-SLMZUGIISA-N", "SMILES:O=C1/C(=N\\N=c2\\[nH]c(-c3ccc(Cl)cc3)cs2)c2cc(Cl)ccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHGOEMMHIGVMIN-UHFFFAOYSA-N", "SMILES:CC(O)CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MACFTPBZAOCTFN-UHFFFAOYSA-N", "SMILES:[O-][S+](CCN1CCN(CC(O)Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQDDJWTVOBHYHX-UHFFFAOYSA-N", "SMILES:CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCYHQGCEQPNRF-DFNIBXOVSA-N", "SMILES:CC(O)CN1[C@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USNBNJJSFAUVPV-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCNC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZQOJABCZMOQTR-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCC(NCCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFRSNCQWUUVAD-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCNC2CCN(Cc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDISULJMGRDCFH-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCNC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFINLGRGXHSWGW-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCNC2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FECGZFUZXKQCAY-UHFFFAOYSA-N", "SMILES:[O-][S+](CCNC1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPYGHSZGURSOB-UHFFFAOYSA-N", "SMILES:OC(Cc1ccccc1)CN1CCC(NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFWZPSHZMCPLU-UHFFFAOYSA-N", "SMILES:[O-][S+](CCNC1CCN(CC(O)Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWRPRLNAZIISP-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCN2CCC(NCc3ccccc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOZGLBXRKPYCG-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNC2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRENBJUHRLRENS-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCN2CCC(NCc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTKTLLYTLGMSB-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCN2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHMRSCYBFHYOPJ-UHFFFAOYSA-N", "SMILES:OC(CNC1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDOSKIKNBNPPI-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC(NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUROQRRZHCJWGK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCC(NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTEIIIVNNKOLSQ-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccccc2o1)N1CCC(NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLWCAOVKKAKFPB-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccccc2[nH]1)N1CCC(NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADINAXKTOICXST-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCNC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWRHDFLQYAZFC-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCNC2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHLZWQQNGVVIG-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC(NCC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMWBPNCBDZFBV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCC(NCC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJISSBKYYCWHFH-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N1CCC(NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXFKAZKFCLPFBI-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCC(NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKTKDZDDFZSWTB-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCNC2CCN(CC3CC3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYCZHSOZAMKOW-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN1CCC(NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFHIMUADSQZYDC-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N1CCC(NCC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPYZLOZKBNJQW-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN1CCC(NCC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHFIJFGCWSLCTP-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1F)N1CCC(NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWFGXHAQIOOJCD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1F)N1CCC(NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDRMIVDDHLLYHK-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1F)N1CCC(NCC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSHVLQPMCXLMLG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1F)N1CCC(NCC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNPUCMMSKYFJY-UHFFFAOYSA-N", "SMILES:CN(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLAKDTARVQQADM-UHFFFAOYSA-N", "SMILES:CN(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXBNLBOZXUOIKE-UHFFFAOYSA-N", "SMILES:CC(C)N(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOHZRILCGNYEQ-UHFFFAOYSA-N", "SMILES:CN(CC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAQNUMCWMRYMU-UHFFFAOYSA-N", "SMILES:NC(=O)C[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAQNUMCWMRYMU-NRFANRHFSA-N", "SMILES:NC(=O)C[S@+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAQNUMCWMRYMU-OAQYLSRUSA-N", "SMILES:NC(=O)C[S@@+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYZBMXLEOAZQTD-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(OCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYAFXEVOOPCAME-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(OCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOCKTVRSMHBRW-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGKATOLEFVWLSG-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(OCCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISKBDJTZKOCFEE-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(OCCCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFVZIBKTJFULH-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(OCCCCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWTXSNLJALLUBY-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(OCCCCCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBOHNYKYIXZRH-DEOSSOPVSA-N", "SMILES:C[C@H](NCc1ccc(OCCCN2CCN(c3cccc4c3ccn4Cc3cccc(Cl)c3)CC2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYXSJSKGVQRAKU-VWLOTQADSA-N", "SMILES:C[C@H](NCc1ccc(OCCCCN2CCN(c3cccc4c3ccn4Cc3cccc(Cl)c3)CC2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFATVJAEJSKMMU-SANMLTNESA-N", "SMILES:C[C@H](NCc1ccc(OCCCCCN2CCN(c3cccc4c3ccn4Cc3cccc(Cl)c3)CC2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCSSYKNRCGJHQ-MHZLTWQESA-N", "SMILES:C[C@H](NCc1ccc(OCCCCCCN2CCN(c3cccc4c3ccn4Cc3cccc(Cl)c3)CC2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVELHUXCRMCBJR-VWLOTQADSA-N", "SMILES:C[C@H](NCc1ccc(OCCCCN2CCN(c3cccc4c3ccn4S(=O)(=O)c3ccccc3)CC2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCBABKSDAJRBGZ-SANMLTNESA-N", "SMILES:C[C@H](NCc1ccc(OCCCCCN2CCN(c3cccc4c3ccn4S(=O)(=O)c3ccccc3)CC2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDAQXCQLAXCGRD-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1ccc(OCCCCN2CCN(c3cccc4c3ccn4Cc3cccc(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNIGQYLCNLIKKI-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1ccc(OCCCCCN2CCN(c3cccc4c3ccn4Cc3cccc(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARJRTTZELVZADZ-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1ccc(OCCCCCCN2CCN(c3cccc4c3ccn4Cc3cccc(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLRAHNKSOSORS-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1ccc(OCCCCN2CCN(c3cccc4c3ccn4S(=O)(=O)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUFJQHNVDRIQJL-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1ccc(OCCCCCN2CCN(c3cccc4c3ccn4S(=O)(=O)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPVBMPZTNCGKI-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cn2ccc3c(N4CCNCC4)cccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPAMDWUUNKYGOR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYLYCZDLVLCRLU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQJDLURKQPSDCR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCc1cn(-c2c3c(nc4ccccc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYRWNPFZHGOCEC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCc1cn(-c2c3c(nc4ccccc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHAOFYGYWYBRSI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCc1cn(CCNc2c3c(nc4ccccc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALRPJVIDEJKLDX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCc1cn(CCNc2c3c(nc4ccccc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZSHIDRCFNBVAW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCc1cn(CCNc2c3c(nc4ccc(OC)cc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLNWLUWTLQVFCS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCc1cn(CCNc2c3c(nc4ccccc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVVCUWUORGMTNG-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTZFAQVGYSTHZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1sc(-c2ccnc(NC(=O)C3CCC3)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMJFCOMMBQFXOH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(-c2nc(OCC3CC3)c(C(=O)NCCCNc3c4c(nc5ccccc35)CCCC4)s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFLNSPBNQAGFFF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHYVJPMYDZLQB-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWPKJLJKMSERN-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOAOMODSQTYPSH-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTZCOIZFSLQMHI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJSGAZQHWZKYFW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCCCCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPINTTTYXBPJU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJBNMVVJVRQAIM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOQXVIOUNWJRIL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNOUTFPQMJNBDX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOTWCKHUEXDRAB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGMUXKFWISFHAG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5ccccc35)CCCC4)c2)nc1OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMBIMUZYHSNFFG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCc1cn(CCNc2c3c(nc4cc(Cl)ccc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBZYUTMWCPFGPD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCc1cn(CCNc2c3c(nc4cc(Cl)ccc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBXMXPANNHQSO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)CNCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLMGZYYGAKQJDG-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCc1cn(-c2c3c(nc4ccccc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPADBWHHYYHHW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCc1cn(CCNc2c3c(nc4ccc(OC)cc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKEOOWHDPSGWCX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCc1cn(CCNc2c3c(nc4ccc(OC)cc24)CCCC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYADPSMQNARVII-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZWPAWJEQYPJP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Oc1nc(Nc2ccc(Br)cc2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGBNJWKJOXLDQJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Oc1nc(Nc2cccc(Br)c2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRFFWENADXFXNM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Oc1nc(Nc2cccc(C)c2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHJQNVVZVYJPZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Oc1nc(Nc2cccc(OC)c2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHCDVCOHFCOEEP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Oc1nc(Nc2cccc(C(C)C)c2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHUWBZNOBXMXNS-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1Oc1nc(Nc2cccc(C)c2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4775995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWFYHBXKKBJRI-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncc(Br)c(Oc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZLIUAIKEYFHBW-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncc(Br)c(Oc3cccc([N+](=O)[O-])c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVOMZGNACQPPDA-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(Br)c(Oc3ccc([N+](=O)[O-])cc3F)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPOIQKKSVDMDH-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(Br)c(ONCCCN)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJNRBOVADXXFPO-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nccc(-c3ccc([N+](=O)[O-])cc3F)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRYMTQDPMSEIJL-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCOOKRUECVLCI-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3cc(C4CCC4)[nH]n3)nc(Nc3ccc4[nH]cnc4c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFMKVKNWJNHIFX-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOZULIIUTJHAFC-UHFFFAOYSA-N", "SMILES:CC1(N2CCN(C(=O)CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)C=CC=C2N=CNN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULGNIKMSHLDDI-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHECDAYISXLODG-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMTDEYONXRJACZ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHCPLQTRPLTRU-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLUABJSTQZKFPN-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMHGDNUGWMXJY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBMOORAHNBMNPT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNURPOPTJEYDY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOIOSDOPPCITK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)sc2NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNOUSIMRSVOAFX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYZUDOXUWNVGE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMTVKCNWUYPXRG-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPKPUPWXGIDMD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Br)cc1)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJDWPKHXXARNK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOOIMDXBONRHL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKKVPDHISEUIF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXSNGMVTLVGMK-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFURYYVFHTYKDL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUNWWBFPYCKLV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OC(F)(F)F)cc1)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSUDJELOJFULTH-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYWVPOBHNZCXGP-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIPLAMOJHJSNEZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cccs2)cc1)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGNZRHAKXSLOB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccccc2)cc1)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGAEERTOWNKHC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(N2CCCC2)cc1)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXQQNLJHGGOQHB-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccccc2)c1)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCLAZGGWIPFEX-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXYRDVKGFMNGBM-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDYLWJPNSCUJG-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Br)c1)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWQXUPBOWIPQF-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(F)c1)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBHDDLLZJFKGAL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGOWDLTQHDEBG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOPXFPJFORIRBH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIDRRWHWTLKJMI-UHFFFAOYSA-N", "SMILES:C=CCc1cc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSEZLMSVNXMQBI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(C(=O)c2sc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2-c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOEDKAYEECSKCT-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)ccc1O)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRAROFVUPCFKAL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)OCO2)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYBGDSVTOAAYSN-UHFFFAOYSA-N", "SMILES:CC(=O)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUFSCBOPIBXCM-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1)c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWRIKQXSCAQALT-UHFFFAOYSA-N", "SMILES:O=C(c1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRCGSXKCMDYLRX-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCNC(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDVJLYDZKYPQJI-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZFYWPRLDKIIHM-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDVCZYIRYRWVJK-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXWAPGNHECFJAW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCCCNC(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVHSVOTUIFPGKP-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCNC(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMBNMDIPGZXRRW-UHFFFAOYSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)CCCCNC(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVQBEHNBPSQEH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2ccccn2)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIOPGIKYQXVUPS-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(C(c2ccccn2)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRGJURZTFHDFD-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(c2ccccn2)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIPIJNCIKDIZCK-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)(c2ccccn2)c2ccc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUDXFBWDXVNRKF-UHFFFAOYSA-N", "SMILES:O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZFQALZRNFYXQT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2ccccn2)c2c(O)ccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATAIQCHMXFWMDZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1508421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLQQZLHDSORQJZ-UHFFFAOYSA-M", "SMILES:CN(C)c1cc[n+](Cc2ccccc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONPDXMFVDCRNT-UHFFFAOYSA-M", "SMILES:[Br-].c1ccc(C[n+]2ccc(N3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVUZJARIIHMFEI-UHFFFAOYSA-M", "SMILES:Clc1ccc2c(N3CCCCCC3)cc[n+](Cc3ccccc3)c2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBZLQWSZXWRBW-UHFFFAOYSA-M", "SMILES:CN(c1ccccc1)c1cc[n+](Cc2ccccc2)c2cc(Cl)ccc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCJITLWFXJZGH-UHFFFAOYSA-M", "SMILES:CN(C)c1cc[n+](Cc2ccc(-c3ccccc3)cc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQEKMMLRZVXQMA-UHFFFAOYSA-M", "SMILES:[Br-].c1ccc(-c2ccc(C[n+]3ccc(N4CCCC4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMMZBFYEZOOREF-UHFFFAOYSA-M", "SMILES:Clc1ccc2c(N3CCCCCC3)cc[n+](Cc3ccc(-c4ccccc4)cc3)c2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZNCOYGGXEQPY-UHFFFAOYSA-M", "SMILES:CN(c1ccccc1)c1cc[n+](Cc2ccc(-c3ccccc3)cc2)c2cc(Cl)ccc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3561645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHYFNPMBLIVWCW-UHFFFAOYSA-N", "SMILES:CN(C)c1ccncc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4754833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGUKYNXWOWSRET-UHFFFAOYSA-N", "SMILES:c1cc(N2CCCC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGRULMSCEKAODW-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(N3CCCCCC3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBAKFOJVCOWDA-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)c1ccnc2cc(Cl)ccc12"]}
{"name": "Choline/ethanolamine kinase", "xref": ["CHEMBL.TARGET:CHEMBL3112385"], "id": "UniProtKB:Q9Y259", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWGKOMTIJQBPF-UHFFFAOYSA-M", "SMILES:OC1C[N+]2(Cc3ccc(-c4ccccc4)cc3)CCC1CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMCZKIBTXWENK-UHFFFAOYSA-M", "SMILES:FC(F)(F)c1ccc(C[n+]2ccc(N3CCCCCC3)c3ccc(Cl)cc32)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGXPCHSLFSSGS-UHFFFAOYSA-M", "SMILES:Clc1ccc2c(N3CCCC3)cc[n+](Cc3ccc(-c4ccccc4)cc3)c2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYBROCKKOHOBBQ-CYBMUJFWSA-N", "SMILES:Cc1ccc(Nc2cc(N3CCC[C@@H](N)C3)nc3ccnn23)c(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDZWZHBFPWDTL-OAHLLOKOSA-N", "SMILES:Cc1ccc(Nc2cc(N3CCC[C@@H](N)C3)nc3ccnn23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOLDVMRTAHXKGZ-GFCCVEGCSA-N", "SMILES:N[C@@H]1CCCN(c2cc(Nc3ccccc3Cl)n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJJGTJHVVEQGA-GFCCVEGCSA-N", "SMILES:N[C@@H]1CCCN(c2cc(Nc3ccc(F)cc3F)n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDUFOFLHGZAQS-GFCCVEGCSA-N", "SMILES:N[C@@H]1CCCN(c2cc(Nc3ccc(Cl)cc3Cl)n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIQWKYCWZIOIOT-GFCCVEGCSA-N", "SMILES:N[C@@H]1CCCN(c2cc(Nc3ccccc3[N+](=O)[O-])n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPNTVBGBGSUNS-OAHLLOKOSA-N", "SMILES:N[C@@H]1CCCN(c2cc(NCc3ccccc3)n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVOXJUZKRMGNY-CQSZACIVSA-N", "SMILES:N[C@@H]1CCCN(c2cc(NCc3ccc(O)cc3)n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDZGKQXWDBAGMR-CQSZACIVSA-N", "SMILES:N[C@@H]1CCCN(c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYQJVLYJFMUSV-OAHLLOKOSA-N", "SMILES:N[C@@H]1CCCN(c2cc(NCCc3ccc(Cl)cc3Cl)n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALWCYQQMICBVDQ-CYBMUJFWSA-N", "SMILES:Cc1ccnc(Nc2cc(N3CCC[C@@H](N)C3)nc3ccnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULVSMVIRKGPHN-GFCCVEGCSA-N", "SMILES:N[C@@H]1CCCN(c2cc(Nc3cc(F)ccn3)n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBUQJNYPCXMFT-GFCCVEGCSA-N", "SMILES:N[C@@H]1CCCN(c2cc(Nc3cc(Cl)ccn3)n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXRHXCOACBRFK-SNVBAGLBSA-N", "SMILES:N[C@@H]1CCCN(c2cc(Nc3cc[nH]n3)n3nccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLCLLKAZDZHDPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc(N3CCNCC3)nc3ccnn23)c(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGVYSHQCGDCJPR-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc(N3CCNCC3)nc3ccnn23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XESQHSLWFOLIKL-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Nc1cc(N2CCNCC2)nc2ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDIGLWZTRGJBF-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2cc(N3CCNCC3)nc3ccnn23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVTRFTNYSREHBG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1Nc1cc(N2CCNCC2)nc2ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXNSBYDLQKUCQ-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)c1cc(N2CCNCC2)nc2ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLSLOJWSWJUEF-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2cc(N3CCNCC3)nc3ccnn23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFSRGHVYGLXPK-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCNc2cc(N3CCNCC3)nc3ccnn23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOKHNGDDTLBRMF-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2cc(N3CCNCC3)nc3ccnn23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSWAYVGPMCHSSU-UHFFFAOYSA-N", "SMILES:Cc1ccnc(Nc2cc(N3CCNCC3)nc3ccnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376359", "category": ["biolink:ChemicalEntity"], "name": "ALOGLIPTIN", "xref": ["InChIKey:ZSBOMTDTBDDKMP-OAHLLOKOSA-N", "SMILES:Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O"], "synonym": ["Alogliptin", "Alogliptin", "Alogliptin", "Alogliptine", "Alogliptina", "Alogliptin", "Alogliptin", "Vipidia"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4748164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKWMFUBUTSDBMQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2ncnc3ccc(-c4cccnc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJQKXXSARPNKNS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc3ccc(-c4ccc(Cl)nc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HILUQJVZARPJEP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc3ccc(-c4ccc(F)nc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFICKVZCYEBHI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc3ccc(-c4cnc5ccccc5c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFFSHOJGOVGHQK-QHHAFSJGSA-N", "SMILES:C/C=C/C(=O)Nc1cccc(Nc2ncnc3ccc(-c4cnc5ccccc5c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSIKPGDLOASNO-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cccc(Nc2ncnc3ccc(-c4cnc5ccccc5c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOOYTIEVXKZNB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncnc3ccc(-c4cnc5ccccc5c4)cc23)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDZUKHZERVLKNO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2ccc(Nc3ncnc4ccc(-c5cnc6ccccc6c5)cc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRUSAMZWQVAJHG-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Nc2ncnc3ccc(-c4cnc5ccccc5c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYUIFCJRRZQMQT-QFIPXVFZSA-N", "SMILES:COc1ccc2cc([C@H](C)c3nnc(SCc4c(C)cc(C)cc4C)n3-c3ccc(F)cc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBDOGMBSQPMZKN-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CILYORNSOFTGAH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYUPDIVYUZNNJI-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXRSOAAKCNGDD-UHFFFAOYSA-N", "SMILES:Cc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPCTBUKFLTVJH-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPSDNJQXGBDEBJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(=O)n(Cc3ccc(F)cc3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIIQJQXIDJSXLH-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(F)cc2)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGJIFHBRFCUIQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHIEWISZPIBHW-UHFFFAOYSA-N", "SMILES:Cc1nc(OCc2ccc(F)cc2)c(C(=O)NC2CCCCCC2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWCNFLHREXQUPX-UHFFFAOYSA-N", "SMILES:Cc1nc(OCc2ccc(F)cc2)c(C(=O)NC2CCCCCC2)cc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHBYMJQCFRCSSX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(OCc3ccc(F)cc3)nc2C)cc1"]}
{"name": "Lysophosphatidylserine lipase ABHD12", "xref": ["CHEMBL.TARGET:CHEMBL5516"], "id": "UniProtKB:Q8N2K0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBFLLZNALVODA-RBUKOAKNSA-N", "SMILES:CCCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL151167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJNCDSAIRBRIA-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYMSDAHWCCSZJU-KPKJPENVSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)Cc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUMHUYGUXQLNY-MDWZMJQESA-N", "SMILES:COc1ccc(/C=C2\\Cc3ccc(O)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHGOCBVSVXYDTQ-NTEUORMPSA-N", "SMILES:CCOc1ccc(/C=C2\\Cc3ccc(O)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFZRKHBMMONJFT-UKTHLTGXSA-N", "SMILES:COc1ccc(/C=C2\\Cc3ccc(O)cc3C2=O)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSDNXZXUWQZJHL-KPKJPENVSA-N", "SMILES:COc1cc(O)ccc1/C=C1\\Cc2ccc(O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMWZUTYNPLFLTD-VZUCSPMQSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(O)c2)Cc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGIYXYHWRYOHND-LDADJPATSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(N4CCCCCC4)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQBGSQNDYNDBD-VGOFMYFVSA-N", "SMILES:COc1cc(/C=C2\\Cc3ccc(NC(C)=O)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVGLWIRPPMDNDX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(OC(F)(F)F)cc5)c4)no3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXAOWKXZWCKDY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(OC(F)(F)F)cc5)c4)no3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMVASBPPUKXZKR-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(OC(F)(F)F)cc5)c4)no3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLERDZAKCUTBFV-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(OC(F)(F)F)cc5)c4)no3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMUNVAFIHYJAF-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1)c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYDZECZUXXXBB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNSZZKKYYMCPQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(OC(F)(F)F)cc5)c4)no3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDUZYDUTKVIQQW-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOCNIZVRSCXOMW-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMOOYVXETAKQTI-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMRDBQZOHXCKKH-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSYYRSEAJXQBH-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMYEUVOFIVOFA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(OC(F)(F)F)cc5)c4)no3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZSBYIRQZSLOV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULOHEPOUVIBNZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(F)c(C(F)(F)F)c5)c4)no3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLRUJASJHLYFW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5cccc(Cl)c5)c4)no3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCBADODAJYKJBO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Nc2cc(-c3noc(-c4ccc(NS(=O)(=O)c5ccc(C(C)(C)C)cc5)cc4)n3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKOPQSCWWOROR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(C(F)(F)F)cc5)c4)no3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOUZLFHAVYEET-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(F)c(F)c5)c4)no3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZHBVEFAAKESJJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(Nc2cc(-c3noc(-c4ccc(NS(=O)(=O)c5ccc(C(C)(C)C)cc5)cc4)n3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQGOVGMCFSJKB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(Cl)cc5F)c4)no3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPXSSUTZDNRXFC-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(-c3noc(-c4ccc(NS(=O)(=O)c5ccc(C(C)(C)C)cc5)cc4)n3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLJHCRIUIPBXBC-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Nc2cc(-c3noc(-c4ccc(NS(=O)(=O)c5ccc(C(C)(C)C)cc5)cc4)n3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYFZXASMUMGIQD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1cc(-c2noc(-c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAIFGEIBHZRESL-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc(-c3noc(-c4ccc(NS(=O)(=O)c5ccc(C(C)(C)C)cc5)cc4)n3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KILALEFQKZFGOZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cc(-c3noc(-c4ccc(NS(=O)(=O)c5ccc(C(C)(C)C)cc5)cc4)n3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRDSOZQOODVXCD-UHFFFAOYSA-N", "SMILES:Cc1c(OC(N)=O)c(=O)ccn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXSABDYGOUQQI-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJZWEQPWIFQJF-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1-c1ccc(CC(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNAMSGGBGOPKD-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CCCC(=O)N1CCCC1c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDIVNHDIRVJISM-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CC(=O)NCC(O)CNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXAZUTMHCKIABM-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CC(=O)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQHYAPZLHHEVHY-AATRIKPKSA-N", "SMILES:O=c1cc(/C=C/c2nc3ccccc3o2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVGWTHDKRNCHBQ-DUXPYHPUSA-N", "SMILES:O=c1cc(/C=C/c2nc3ccc(O)cc3s2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQZVKLQAJBOND-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CC(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSQHZDKVLYZOZ-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CC(=O)NCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNVLYBAPNGHOJB-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CC(=O)NCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUQFZDHEJKGCG-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CC(=O)NCC(O)CNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDFFYHSGXJWHQ-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(C(=O)NCCn3ccc(=O)c(OCc4ccccc4)c3C)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMIRLAYVUBJBTB-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABWCZVWLCRRWNY-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c(O)c(CO)n1CCCn1cc(COc2ccc3ccc(=O)oc3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSDQXQXSGUDRE-UHFFFAOYSA-N", "SMILES:CCc1c(O)c(=O)ccn1CCCn1cc(COc2cc3ccccc3oc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGLKVPGPJHINGD-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCn1ccc(=O)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL312873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUGYCLJHAOPSBD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJGYZVSVAFAGQS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL102547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTEBQURMARYTDH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQMKQLZHQNFJT-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHMHNJNZKTQCM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(F)cc2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXMPUTYCEJSATL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYFEXMZLXEFEH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMAJFOVJDBCJA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKLQACRZCJGYQY-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCNNLDFGSOZSQF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLMNCNOXZFBBD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSUACJXFBBOMRU-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGAPXVRTURCOGV-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1817869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFFNZCJFOTWSK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGPPVHPMEZAPCA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXNFLBNOWSYSH-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGBPEUDFOKSWDB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBIHGBWUDAVACU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNUYFVOFWXFVDO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBZSJOKSHDJEF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAOGHSOHOQJXSW-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccccc2)cc1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIQJSGAZUVRFSO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(-c2ccccc2)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDFQDOYWBSCMP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc(F)cc(F)c2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLCSBFXTNFZAF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(F)cc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEMQMKYAASIBDH-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZAIYWLOLZJEBT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc(F)cc(F)c2)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSOVVVETFQQGB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc(F)cc(F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJHRPUZZBOPRA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc(F)cc(F)c2)n(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STDGAUWCYNEYOP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc(F)cc(F)c2)n(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTUDSOMLOEOPJ-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccccc2)cc1NC(=O)Nc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXXMKQPQBQVCO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)cc(F)c1)Nc1cc(-c2ccccc2)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRKXCERHZOBLOF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCAAEBXHHFMME-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENINTYYHHDMLX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVHSKWCYDWMDR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYALGDSLPNFHPP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUTQDTYZINASQH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(S(C)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCISZSLGLNYEGD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(NC(=O)C3CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METWEEAHIKKEKW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(NS(C)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRHROTBUNZHNIO-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKHYIIGAEFURJJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cc(C2CC2)nn1-c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIIQJUVDQMZSU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2nc(C3CC3)cc2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTWPOCOMPNOAOZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cc(C2CC2)nn1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZFUCGZFJOBUBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVCNLNARLCLHQ-DEOSSOPVSA-N", "SMILES:NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUFTYHQMKUPIK-VWLOTQADSA-N", "SMILES:CNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTJZDOMFKCYEA-SANMLTNESA-N", "SMILES:CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOSAVSWAPDPQJU-MHZLTWQESA-N", "SMILES:CCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBILCWJZJOHMEZ-NDEPHWFRSA-N", "SMILES:CCCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSATWZKHHMXNGG-PMERELPUSA-N", "SMILES:CCCCCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVQHWCWEILUFSD-UMSFTDKQSA-N", "SMILES:CCCCCCCCCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHAOZPSJXRBUJD-WNWQKLGWSA-N", "SMILES:CCC(C)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZQSHIUOCIDLSA-LJAQVGFWSA-N", "SMILES:CCC(CC)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZFKGDCZZVCJD-NMXAJACMSA-N", "SMILES:CCC(CO)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOQKXJXODLGEKL-LJAQVGFWSA-N", "SMILES:CC(C)CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKDCKOQKRFFVGE-PMERELPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NC3CCCCC3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPDQLJRQYHHLZ-NDEPHWFRSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)N3CCOCC3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUFIQRHWQJDYDJ-NDEPHWFRSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)N3CCNCC3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHYNUGJVOQQDNG-HKBQPEDESA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccc(CNC(=O)c3cnn(-c4ccccc4)c3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRRUHOOICOBDHW-PMERELPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)Nc3ccc(F)cc3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWPAMUIQNAYET-PMERELPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)Nc3ccc(Cl)cc3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZPOQLLWKKSDMN-PMERELPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)Nc3ccc(Br)cc3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFPPCXTSUFJQX-PMERELPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)Nc3cc(F)cc(F)c3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWWCMGSXUNDBEA-PMERELPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKYLFJYQRWVCU-PMERELPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)Nc3cc(Br)cc(Br)c3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZAFIEBYNHDUQV-HKBQPEDESA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NCc3ccccc3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUYSWLZSZRUOH-HKBQPEDESA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NCc3ccc(Cl)cc3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDDHFFTESWGNQ-YTTGMZPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NCCc3ccc(Cl)cc3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYJAXZVNUTWQPV-PMERELPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NCc3ccncc3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIFFEWAEZGOSFE-PMERELPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NCc3cccnc3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPTXYRWAYRPMZ-PMERELPUSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NCc3ccccn3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQRSUTGHFCSIML-LJAQVGFWSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NCc3cccs3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPAAWJRAXUPGPP-UMSFTDKQSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTPKHXBANMVFHD-UMSFTDKQSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)N3CCN(c4ccc(Br)cc4)CC3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGDZBLFCBVWQE-XIFFEERXSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)N3CCN(c4nc5ccccc5s4)CC3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJPGUOUNQFJTH-XIFFEERXSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)N3CCN(c4nc5ccccc5o4)CC3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEHSUAYDKGZPO-YBFXNURJSA-N", "SMILES:C/C(=N\\Nc1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUCMEPVXZQACZ-KEBDBYFISA-N", "SMILES:C/C(=N\\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFJNXTKKJJKNJE-RGVLZGJSSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHGTRVUYBKOGZ-UFFVCSGVSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJTXYYAQKVCGOB-YYADALCUSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C(\\CS(=O)(=O)c2ccccc2)c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCNLCIBHNCJZPP-HPNDGRJYSA-N", "SMILES:Cc1ccc(S(=O)(=O)C/C(=N\\Nc2ccc(S(N)(=O)=O)cc2)c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYZFLSKWNJOCH-SZXQPVLSSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C(\\CS(=O)(=O)c2ccccc2)c2cc3cc(Br)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REUWMHUXYSFQMA-XAYXJRQQSA-N", "SMILES:Cc1ccc(S(=O)(=O)C/C(=N\\Nc2ccc(S(N)(=O)=O)cc2)c2cc3cc(Br)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKJONKITDUSDD-YYADALCUSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C(\\CS(=O)(=O)c2ccccc2)c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUYOZHUNENEDCT-HPNDGRJYSA-N", "SMILES:Cc1ccc(S(=O)(=O)C/C(=N\\NC(=O)c2ccc(S(N)(=O)=O)cc2)c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1543423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOAMCCSEKSKSMW-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4798301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEMGKCRROSTPM-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)CC(=O)c2cc3ccccc3oc2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4792125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVJVIPNZHIFFSU-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)c1ccccc1)c1cc2cc(Br)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBCIXWILZRNTH-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)CC(=O)c2cc3cc(Br)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVOELWYHQIQAI-NJNXFGOHSA-N", "SMILES:O=c1oc2ccccc2cc1/C(CS(=O)(=O)c1ccccc1)=N/Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMFBLISAUYZPOV-XTCLZLMSSA-N", "SMILES:Cc1ccc(S(=O)(=O)C/C(=N\\Nc2ccccc2)c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNJKREOJEOAVGI-YYADALCUSA-N", "SMILES:O=c1oc2ccc(Br)cc2cc1/C(CS(=O)(=O)c1ccccc1)=N/Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDBLVWHFSXYMX-HPNDGRJYSA-N", "SMILES:Cc1ccc(S(=O)(=O)C/C(=N\\Nc2ccccc2)c2cc3cc(Br)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AONDWTZRLCVVRF-NJNXFGOHSA-N", "SMILES:O=C(N/N=C(\\CS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCXHHZSVWOQOR-YYADALCUSA-N", "SMILES:O=C(N/N=C(\\CS(=O)(=O)c1ccccc1)c1cc2cc(Br)ccc2oc1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOPUQETUVRNFID-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cn3)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRPKNPKHGNUFGK-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHIKSNZQWLEJY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVKANRTNFNBAB-UHFFFAOYSA-N", "SMILES:Fc1ncccc1-c1cnc2c3ccccc3nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIMCGWNXXGJXDW-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2c(c1)nn1cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLFOTWGPADOSGG-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2cnc3c4ccccc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMFNBGSKSBJFL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c4ccccc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXIRTMUDNXUEDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c4c(Cl)cccc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDUXDDOMERYSJJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c4c(F)cccc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYQINKWJVQEAA-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnc2c3cccnc3nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAISXOXUGCDQGH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc3c4cccnc4nn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEYATBHMWAOOG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c4cccnc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJGTRLHLAPGEE-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2cnc3c4cccnc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGUNPHAGGXHRU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2cnc3c4cccnc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKMMCBPUKNIGN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cnc3c4cccnc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKLWYGIHNWBZDN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2cnc3c4cccnc4nn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPAFEFBUZJTKTI-UHFFFAOYSA-N", "SMILES:c1csc(-c2cnc3c4cccnc4nn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPCLEVEJDXCPB-CMDGGOBGSA-N", "SMILES:C(=C/c1cnc2c3cccnc3nn2c1)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRZBIXAPMAWODK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c4ncccc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZDGQUQEBARNQO-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnc3c4ncccc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZOPHESPVBPKND-UHFFFAOYSA-N", "SMILES:c1cnc2c(c1)nn1cc(-c3ccsc3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILRZVYHVPUIHRW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c4nccnc4nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326294", "category": ["biolink:ChemicalEntity"], "name": "ISATIN", "xref": ["InChIKey:JXDYKVIHCLTXOP-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4787352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIDDXLVNGGLSG-GQUPQBGVSA-N", "SMILES:O=C(Oc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465208", "category": ["biolink:ChemicalEntity"], "name": "SALIDROSIDE", "xref": ["InChIKey:ILRCGYURZSFMEG-RKQHYHRCSA-N", "SMILES:OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOOLZURINZODH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2c[nH]nc2-c2nc(-c3ccc(CN4CCOCC4)cc3)c[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEWIUKZNWRWPFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1nc(-c2ccc(CN3CCOCC3)cc2)c[nH]1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQZAKFCYCVYSL-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1nc(-c2ccc(CN3CCOCC3)cc2)c[nH]1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMUPVSAQBBZOJH-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1nc(-c2ccc(CN3CCOCC3)cc2)c[nH]1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIEUKJRYCZYZDC-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1nc(-c2ccc(CN3CCCCC3)cc2)c[nH]1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCGXVWCLMLBCHZ-UHFFFAOYSA-N", "SMILES:Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc(-c3ccc(CN4CCOCC4)cc3)c[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSHQBSMIYZXJX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2c[nH]nc2-c2nc(-c3ccc(CN4CCCCC4)cc3)c[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTQKCFFDAKMEEO-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1nc(-c2ccc(CN3CCCCC3)cc2)c[nH]1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFIAJKVCYHULHF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)NCCNC(=O)Cc3onc(-c4ccc(OC)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMFYIRQUBJSCJR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)NCCCCNC(=O)Cc3onc(-c4ccc(OC)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHWYAGZZGGOAJP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)NCCCCCCNC(=O)Cc3onc(-c4ccc(OC)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMRJQGIOQJFQGS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)NCCCCCCCCCCCCNC(=O)Cc3onc(-c4ccc(OC)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELSXHRFMWZKEK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)NCc3ccc(CNC(=O)Cc4onc(-c5ccc(OC)cc5)c4-c4ccc(OC)cc4)cc3)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HULKLAUGAALDIZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)Nc3ccc(-c4ccc(NC(=O)Cc5onc(-c6ccc(OC)cc6)c5-c5ccc(OC)cc5)cc4)cc3)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONRBNVUBLFDEI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)NCCCCN)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWRUNDVYDPBFMH-GKFVBPDJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCCCNC(=O)Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUZLDRJXIIXNF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)Nc3ccc(N)cc3)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFAIEODLTYEFM-GKFVBPDJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc(NC(=O)Cc2onc(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCOIZYTFXGEGZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)Nc3ccc(-c4ccc(N)cc4)cc3)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCGIQMBTPELFJ-GKFVBPDJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc(-c2ccc(NC(=O)Cc3onc(-c4ccc(OC)cc4)c3-c3ccc(OC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVLYYCNGRSNYSR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)Nc3ccc(NC(=O)Cc4onc(-c5ccc(OC)cc5)c4-c4ccc(OC)cc4)cc3)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2375494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCWRSSILDQLBE-RIYZIHGNSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4746541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRQGFPWSRBXOPW-NTUHNPAUSA-N", "SMILES:O=C(/C=C/CCc1ccccc1Br)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIEKRROFITYDKB-WEVVVXLNSA-N", "SMILES:O=C(/C=C/CCc1ccc(Br)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AANLXIVIVLMROS-RIYZIHGNSA-N", "SMILES:Cc1ccccc1C(=O)/C=C/CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZEXWHQCEDANGR-VGOFMYFVSA-N", "SMILES:Cc1cccc(C)c1C(=O)/C=C/CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXISWBTVFGHCS-AWNIVKPZSA-N", "SMILES:Cc1cccc(C(=O)/C=C/CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJHKFJSOSZDDB-UXBLZVDNSA-N", "SMILES:Cc1ccc(C(=O)/C=C/CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZRRLUMRWEZBI-NTUHNPAUSA-N", "SMILES:COc1ccccc1C(=O)/C=C/CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOKAWNUICCIRG-AWNIVKPZSA-N", "SMILES:COc1cccc(C(=O)/C=C/CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWFGBASHDQVFZ-UXBLZVDNSA-N", "SMILES:COc1ccc(C(=O)/C=C/CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGNJJKFVQNIBT-NTUHNPAUSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMWMPLJHJUNOT-LFYBBSHMSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHCJBLNAAORITJ-VCHYOVAHSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCCBYRCOTNOIGF-CAOOACKPSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRELYDZPSUBGJA-RIYZIHGNSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKNSMDIQYDSXCP-FRKPEAEDSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDMFNBZPLFJAFS-NTUHNPAUSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUIAIACHIPOOHR-BJMVGYQFSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REOTWLIRJFJPMD-WEVVVXLNSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNROFKBXGFLLA-BJMVGYQFSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCOJFZPVMDYXFA-WEVVVXLNSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPASQZRQYPBQNW-UXBLZVDNSA-N", "SMILES:Cn1nccc1C(=O)/C=C/CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEMNEFPSDEFLG-LFYBBSHMSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJFOFTWZSAASL-VZUCSPMQSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBQJCKRFCUANOA-WEVVVXLNSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDNMYDZHPMNIEQ-RIYZIHGNSA-N", "SMILES:O=C(/C=C/CCc1ccccc1)CCc1ccccc1"], "chembl_natural_product": true}
{"name": "G-protein coupled receptor 52", "xref": ["CHEMBL.TARGET:CHEMBL4105791"], "id": "UniProtKB:P0C5J4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404519", "category": ["biolink:ChemicalEntity"], "name": "BEVIRIMAT", "xref": ["InChIKey:YJEJKUQEXFSVCJ-WRFMNRASSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "synonym": ["Bevirimat", "Bevirimat", "Bevirimat", "Yk-fh312", "MPC-4326", "PA-103001"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4765000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTMUPUPAUWSYPD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3nn(-c4ccc(S(=O)(=O)O)cc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVWKMNLPUMKEMM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)c3cc(-c4ccc(S(=O)(=O)O)cc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBUDKVCCKRAAJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)c3cc(-c4ccc(S(=O)(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRTJHHOGSUOHHD-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc4c(c3)COC4=O)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQHDXEWKDCKMHF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc4ccc(=O)oc4c3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFVGQKHFUZRWNA-ZPZFBZIMSA-L", "SMILES:O=S(=O)([O-])c1ccc2cc(/N=N/c3cc(S(=O)(=O)[O-])c4cccnc4c3O)ccc2c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDLOGVBWGBCBC-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOPUIGICPCTBM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)c3cc(-c4cccc(C(=O)O)c4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYUMVWCJXYHAKT-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc4nonc4c3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSGKJPDNRDWAF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc4nonc4c3)c3cc(-c4cccc(C(=O)O)c4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUHMSSLTRWCSU-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc(C(F)(F)F)cc3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKALLRUDELALQF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc(C(F)(F)F)cc3)c3cc(-c4cccc(C(=O)O)c4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLVPSOZQOWUAMT-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccncc3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAGKTBBLRJOIIR-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccncc3)c3cc(-c4cccc(C(=O)O)c4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAEVWGUESZMLMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc4c(c3)OCO4)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVLWOOPDFPHIV-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc(C#N)cc3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISEKLNMYYBRQOZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(-c3ccc4nonc4c3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXSVHJILDVDNET-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cnc3c(c2)c(-c2ccc4nonc4c2)cn3Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KORVYUSYOHHYGU-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(-c3ccc4nonc4c3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYNQNEHGJCRCAO-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2cc(-c3ccc4nonc4c3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBKMKPMUUGPHX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cnc3c(c2)c(-c2ccc4nonc4c2)cn3-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPKDGHIPDFXVIC-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc4nonc4c3)c3cc(C(=O)O)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTOCARAXJCTJOG-XNWCZRBMSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc4nonc4c3)c3cc(/C=C/C(=O)O)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVEHAJFVFQLHOG-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc4nonc4c3)c3cc(C4=CCC(C(=O)O)CC4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGGRVCPCZIVBV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2cnc3c(c2)c(-c2ccc4nonc4c2)cn3-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKLLLOSXUGNHO-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc4nonc4c3)c3cc(-c4ccc(NS(C)(=O)=O)cc4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTJCYMCXVJNNOY-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc(C(=O)O)cc3)c3cc(-c4ccc5nonc5c4)cnc32)cc1"]}
{"name": "Dual specificity protein phosphatase 22", "xref": ["CHEMBL.TARGET:CHEMBL3924"], "id": "UniProtKB:Q9NRW4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein phosphatase non-receptor type 12", "xref": ["CHEMBL.TARGET:CHEMBL3236"], "id": "UniProtKB:Q05209", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCVMIEAPUBUBMX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cnc3[nH]cc(-c4ccc5nonc5c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGWVEXIEUHCGK-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGLQNAJIJPCIF-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCTOZQAJIOPJMA-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFUJUEMTRBRTKN-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(NC(=O)Nc3ccccc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGSWSRSWXCUYTF-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMEQZNIKFFHKRF-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(NC(=O)NC3CCCCC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQCLGGPYLETEY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBWKJBQDAQARU-KSSCSKLYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVVHMPYNKXVON-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPCBSDPHVCKPAH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN(C(=O)Nc1ccc(Cl)cc1)c1ccc2nc(N)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPOGBUFOHNGLP-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVLBCWKNQYINX-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCCCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULYBUHNHCLQDE-UHFFFAOYSA-N", "SMILES:CN1CCN(CCN(C(=O)Nc2ccc(Cl)cc2)c2ccc3nc(N)sc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDEMMKOERLTQMJ-UHFFFAOYSA-N", "SMILES:CC1CCN(CCN(C(=O)Nc2ccc(Cl)cc2)c2ccc3nc(N)sc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOLRLIXDMKEOD-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccccc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCAJNBBUVOTHA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSIGWTXTLALDAW-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRGLWCNNKVBJO-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYWKXJGIIJBUTD-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Br)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFNJCNJHVNHNCB-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNPOLIFTBWRUBQ-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(C(F)(F)F)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAWMGKWPVLLSHP-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTBBJQXLIHUQK-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccccc3Cl)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBHXXTVFNVJJH-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIORNQUULAYLDO-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(F)c(Br)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEQDEYIOHHOIF-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3Cl)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDSTYDHLCFMIX-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFRJLZNSFXJFR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPEYVLBULJHLRV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHIARHCFVFJIQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLFNHZWFKGOWRN-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXSYNSKFDFDQPB-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSXHXWLTWLWKA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARNSLPXWDLUFHU-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVODDSYBFFNFN-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1F)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWZKUBWAYJDAE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQZDKUYKURBMQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Br)cc1)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASJMGSDENFZUNB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1Cl)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMVAQAXXRPIGQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2nc3ccc(N(CCN4CCOCC4)C(=O)Nc4ccc(Cl)cc4)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTIDKVQAVILNM-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2nc3ccc(N(CCN4CCOCC4)C(=O)Nc4ccc(Cl)cc4)cc3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYDEDKIOLTNAP-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Nc2nc3ccc(N(CCN4CCOCC4)C(=O)Nc4ccc(Cl)cc4)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHQIIOMRYKSDHJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(NC(=O)Cc4ccccc4)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOHMRKVZTVTKA-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(NC(=O)Cc4ccccc4F)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXNGSHZLJZHLDB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(F)c(Br)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMHZSMWIVJLGC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1F)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(F)c(Br)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGSKIZLWIWQGD-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3cccc4ccccc34)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108436", "category": ["biolink:ChemicalEntity"], "name": "NONANOATE", "xref": ["InChIKey:FBUKVWPVBMHYJY-UHFFFAOYSA-N", "SMILES:CCCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL108030", "category": ["biolink:ChemicalEntity"], "name": "UNDECANOATE", "xref": ["InChIKey:ZDPHROOEEOARMN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCC(=O)O"], "synonym": ["N-undecanoic acid", "N-undecoic acid", "N-undecylic acid", "Undecanoate", "Undecanoic acid", "FEMA NO. 3245", "NSC-7885", "Undecanoate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL111077", "category": ["biolink:ChemicalEntity"], "name": "MYRISTIC ACID", "xref": ["InChIKey:TUNFSRHWOTWDNC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)O"], "synonym": ["Myristic acid", "Myristate", "Myristic acid", "N-tetradecan-1-oic acid", "N-tetradecanoic acid", "FEMA NO. 2764", "NSC-5028", "PHILACID-1400", "PRIFRAC-2942"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4288936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCMKTPAZLSKTL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(O)CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3827832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFSWASUQURIOOR-UHFFFAOYSA-N", "SMILES:CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUODDTVALGQAK-UHFFFAOYSA-N", "SMILES:O=c1cc(NCCc2ccc(Cl)cc2)[nH]c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXOVKEUUTXBOJZ-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXOAKRMLQKLQX-UHFFFAOYSA-N", "SMILES:CCCCCCSc1nc(O)cc(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCINCSYDDSRQQC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1cc(O)cc(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQAUQBOULILEAV-UHFFFAOYSA-N", "SMILES:CCCCCCCCC1=C(O)C(=O)C=C(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWACCCXIIBRQDS-QGZVFWFLSA-N", "SMILES:O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(OCc3noc(C4CC4)n3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHSONAVIPVCZDX-UHFFFAOYSA-N", "SMILES:O=c1nc(OCC2COCCO2)cc2n1CCc1cc(C#CCNc3ccccc3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDBUJVHYUALRBC-FQEVSTJZSA-N", "SMILES:O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(COCC3CCOCC3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXMMTZJVHBCCE-FUPOQFPWSA-N", "SMILES:[3H]c1cccc(CCc2ccc3c(c2)CCn2c-3cc(OCCOc3cnccn3)nc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSGKMLVYIUJQMZ-UHFFFAOYSA-N", "SMILES:O=c1nc(OCC2COCCO2)cc2n1CCc1cc(OCc3ccccn3)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNSJWSLXKSJQFE-UHFFFAOYSA-M", "SMILES:CCCCCc1cccc(CC(=O)[O-])c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHGWIXASWPCFMS-UHFFFAOYSA-M", "SMILES:CCCCCc1cc(CCCCC)cc(CC(=O)[O-])c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXMOVGRUXPNRRX-IJSQUPEFSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCN(C)CCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLGPTDXXUWFMK-ARFQKLFXSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCNCCCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWWBODSADLTRAR-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3ccc(NCCOCCOCCOCCOCCOCCNCCCONC(=O)c4ccc(F)c(F)c4Nc4ccc(I)cc4F)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXMOVGRUXPNRRX-ABFSSZHISA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCN(C)CCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLGPTDXXUWFMK-FDFBEGHPSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCNCCCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQNRYJCFPMHYII-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3ccc(NCCOCCOCCOCCOCCOCCNCCCONC(=O)c4ccc(F)c(F)c4Nc4ccc(I)cc4F)cc3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVLSEVDIRSYGE-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1cc(Cl)c(=O)n(C(=O)OCC(C)C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUCNMBDVUWJQBT-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)OCC(C)C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSGDWQSARVBUOD-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1nc(C)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBCAXXGVMAGDY-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(CC(=O)Oc2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJGNIIQDRGGFT-DTQAZKPQSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXLZSKTVZMRRCY-RBUKOAKNSA-N", "SMILES:CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQMAVTWWUBRDJK-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1c(=O)oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYVAZSLMQCVOG-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(-c3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVWIGWIKOQYGRO-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1cc(Cl)c(=O)[nH]c1=O"]}
{"name": "Acid ceramidase", "xref": ["CHEMBL.TARGET:CHEMBL2331070"], "id": "UniProtKB:Q6P7S1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRJQFMAXXADBL-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1cc(C(F)(F)F)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQGVMQWSDJOAC-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1c(-c2ccccc2)coc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSKHRCPWKBVEO-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)n1c(-c2ccccc2)coc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJWXYMMHTUCKS-UHFFFAOYSA-N", "SMILES:Cc1oc(=O)n(C(=O)NCCCCc2ccccc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFYSJVJBQMFSIR-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1c(-c2ccc(Cl)cc2)coc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNVMGKDQKLRHC-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(-c2ccccc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARRAVRHNLEFJD-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)n1cc(-c2ccccc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERWUBRTRWSQJF-UHFFFAOYSA-N", "SMILES:CCOCCNC(=O)n1cc(-c2ccccc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCKQQJUKMQTPTO-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)n1cc(-c2ccccc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCGXSLRYPWUNG-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)oc(=O)n1C(=O)NCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQETXKWQPWHCPE-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(-c2ccc(Cl)cc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDOAPXUSWTIAI-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(-c2ccc(F)cc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYJPXOTHJCLSG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJYCKPHIPWARF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZLUPKLBZCXHY-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cn(C(=O)NCCCCc2ccccc2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYMAWCZAVJBLY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOHAORPVIPQPR-UHFFFAOYSA-N", "SMILES:CN1CCC(c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POYBDNBCSGXISN-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(-c2ccccn2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSROBSVSBBVUAY-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(-c2cccnc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZRVBVGJLZTDOY-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(-c2ccncc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKCMOGZSAXDNK-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(-c2cnccn2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLIIHSNDOGBIV-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(-c2cnc3ccccc3n2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCNQFWZMYGDJDC-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DABAGNFNZCNOOT-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(-c2nccs2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQQMZKYMJLOQHQ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(-c2cscn2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPISHHLJWLVNG-UHFFFAOYSA-N", "SMILES:CN1CCC(c2cccc(-c3cn(C(=O)NCCCCc4ccccc4)c(=O)o3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIRDPTFBWVLSBS-UHFFFAOYSA-N", "SMILES:CN1CCC(c2cc(-c3cn(C(=O)NCCCCc4ccccc4)c(=O)o3)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZPYDOTOBEPAF-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)n1cc(-c2ccc(F)c(C3CCN(C)CC3)c2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMPXAHVRZGNLM-UHFFFAOYSA-N", "SMILES:CN1CCC(c2cc(F)ccc2-c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQURRORLLDSHRW-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)n1cc(-c2ccc(F)cc2C2CCN(C)CC2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEWIIJLJFYKLI-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)n1cc(-c2ccccc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUWXGFJVTBICKW-HDKAIKTRSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAVMIPZUFMLLO-HHLRJLMWSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTXGMUGHXAGIJV-AJXWOIMWSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNEYTSFAUJQWES-PWPYQVNISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSQLWUYUJHSYCC-OAJYDDDBSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKBQGZCBHTGCE-BZBACTHISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRAHZJHRAFDIJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)NCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWGFBEXNOWIWRP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDAOBULQBPBUCA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZBHIVDNNVDCQT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBCGDGLONSUIF-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)NCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZIKAGOBNORGDA-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDRAHCKGJIOZHN-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGIJNCDMAVBREM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOTDZEGDCZIKRS-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBNECLTKQKFKV-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)NCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTKAFKXVZBIBGM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHDQKRLQEYIZTD-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYMVMKJBRUWEDE-UHFFFAOYSA-N", "SMILES:CSc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXZHTJNNFHZERH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)c(NC(=O)NCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJBRFDMGNAWWCF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LROWEQWLRCXFQZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTJUUSYPCOMRZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYLWUJYKKSBOAJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccc(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYKTLDQSMAEFY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYJRCFANFXWVAO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMYGCMORXGSBRC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHYJUBYDAVQIEZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANSUAKRJHZFIKU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAABYVVCZSXBRE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXWPNVVSLDCVCF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2ccc3c(c2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFNOZSITCGEBH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)Nc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJHMKXYWUQLOTN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)NCc2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLSMARBIMWEEM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRFLMRGGHAVHMQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)CCNC(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLVPLNGMAGBIJ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3c(Sc4ccc(F)cc4)cccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXRJGQYOAICBX-UHFFFAOYSA-N", "SMILES:COc1ccccc1Sc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URYMNBQTISFUDY-QRVBRYPASA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2ccccc2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCQNLNSYCUPOFX-LRTDYKAYSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCOC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXOIEZCCWKTUDB-HXUWFJFHSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCOCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJVOEUAUTXUQJ-GOSISDBHSA-N", "SMILES:CC(C)(C)c1ccc(CN(C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccc(C(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMLROLQAPJSSHB-HXUWFJFHSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGOENFTGBETTH-ZMBIFBSDSA-M", "SMILES:O=C([O-])c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJNPQBGORGGVKZ-OAQYLSRUSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSTDCVGDUDNSTO-HXUWFJFHSA-N", "SMILES:O=C(O)c1cc(F)c(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVRXFONKVVRODZ-VEIFNGETSA-M", "SMILES:O=C([O-])c1cc(F)c(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELLKXQAKJSBIR-QGZVFWFLSA-N", "SMILES:CC(C)c1ccc(CN(C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2cc(O)c(C(=O)O)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKRGBJLKIGARP-LJQANCHMSA-N", "SMILES:O=C(O)c1cc(F)c(N(Cc2ccc(C3CCOCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDDNRVMSQJLOT-HXUWFJFHSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)nc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLXBWVXUNSAGKK-LJQANCHMSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCOCC3)nc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLVPYXUDLHWQA-HXUWFJFHSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMRIVDGHPQYSU-LJQANCHMSA-N", "SMILES:O=C(O)c1ccc(N(Cc2cnc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWOAWEHYVGDKOS-GOSISDBHSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ncc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRHFAAURZRPEKD-LJQANCHMSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)nn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXWCTVCORFDIBA-LJQANCHMSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWUNMGRFHTKNB-GOSISDBHSA-N", "SMILES:O=C(O)c1ccc(N(Cc2cnc(C3CCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWGTLOCBQNRAJ-JOCHJYFZSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWDNTKFQRRQJL-OAQYLSRUSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCOCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGRVYXFIYQXHU-OAQYLSRUSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQCHJWZYUNEMP-JOCHJYFZSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJBQAYDICLLOHW-JOCHJYFZSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMXPGVUUFCIEB-LJQANCHMSA-N", "SMILES:CC(C)(C)c1ccc(CN(C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccc(C(=O)O)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHWRKMUPUMBQKW-OAQYLSRUSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMUOXFCDPVCSI-OAQYLSRUSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFUMRUHQJNOAP-HXUWFJFHSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccc(C3CCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVNZKCDEKRDJY-HXUWFJFHSA-N", "SMILES:O=C(O)c1ccc(N(Cc2cnc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYBCPRABHVSVDN-OAQYLSRUSA-N", "SMILES:COC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)nc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKJOAVWPJXSFD-OAQYLSRUSA-N", "SMILES:COC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFFUCZTYVCACA-HXUWFJFHSA-N", "SMILES:COC(=O)c1ccc(N(Cc2cnc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXYPIDNOZHMWNS-JOCHJYFZSA-N", "SMILES:O=C1OCc2cc(N(Cc3ccc(C4CCCCC4)cn3)C(=O)[C@H]3CCN3S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSOVDTTXPHWII-JOCHJYFZSA-N", "SMILES:O=C(NO)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCSFVFYNFMOJK-OAQYLSRUSA-N", "SMILES:O=C(NO)c1ccc(N(Cc2ccc(C3CCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDVBVDDJIRFHX-OAQYLSRUSA-N", "SMILES:O=C(NO)c1ccc(N(Cc2ccc(C3CCOCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFRQBBOUBONIP-OAQYLSRUSA-N", "SMILES:O=C(NO)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYGLPNVIWASPQ-HXUWFJFHSA-N", "SMILES:O=C(NO)c1ccc(N(Cc2ccc(C3CCOCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDWDUCNHPGTRB-JOCHJYFZSA-N", "SMILES:O=C(NO)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTAXDPSNPPAWMB-LJQANCHMSA-N", "SMILES:CC(C)(C)c1ccc(CN(C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccc(C(=O)NO)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIANWCCPLOXEJS-LJQANCHMSA-N", "SMILES:O=C(NO)c1cc(F)c(N(Cc2ccc(C3CCOCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPGZWIIGINNHR-HXUWFJFHSA-N", "SMILES:O=C(NO)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAEGGAXKSSKHBI-OAQYLSRUSA-N", "SMILES:CONC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FELKYTDLWHXWQR-JOCHJYFZSA-N", "SMILES:CONC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZBRGIKWMCBHTI-OAQYLSRUSA-N", "SMILES:O=C(NO)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWYSUEBYDBFIJK-HXUWFJFHSA-N", "SMILES:O=C(NO)c1ccc(N(Cc2ccc(C3CCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBLCSVSGQIRHV-JOCHJYFZSA-N", "SMILES:CNC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXNSBTUJZQMIBW-HXUWFJFHSA-N", "SMILES:NC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYAWDSRKUQMPMM-OAQYLSRUSA-N", "SMILES:CNC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMWQBDAUQRMWPV-JOCHJYFZSA-N", "SMILES:CN(C)C(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQIWVYVHSCTHC-LJQANCHMSA-N", "SMILES:O=C(NO)c1ccc(N(Cc2cnc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVVWGBASDGRNSJ-HXUWFJFHSA-N", "SMILES:CNC(=O)c1ccc(N(Cc2cnc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVYLYBCMZSXDM-XMMPIXPASA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cc1)c1ccc2c(=O)[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHNVZIVYLMEPK-HSZRJFAPSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cn1)c1ccc2c(=O)[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGVABUIZAYQLRX-XMMPIXPASA-N", "SMILES:Cn1ccc2cc(N(Cc3ccc(C4CCCCC4)cn3)C(=O)[C@H]3CCN3S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBYZONVVJDIYGL-HSZRJFAPSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cc1)c1ccc2c(=O)[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZJLRCBPQDDJF-OAQYLSRUSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1cnc(C2CCCCC2)cn1)c1ccc2c(=O)[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAGZDGDLYLQXQM-JOCHJYFZSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cn1)c1ccc2c(=O)[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXUWOJQBWRFEMR-HSZRJFAPSA-N", "SMILES:Cn1cnc2cc(N(Cc3ccc(C4CCCCC4)cn3)C(=O)[C@H]3CCN3S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZFZXMMHHROQQN-OAQYLSRUSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1cnc(C2CCCCC2)cn1)c1ccc2c(=O)[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWIWXLYVRJLPF-JOCHJYFZSA-N", "SMILES:O=C1NCc2cc(N(Cc3ccc(C4CCCCC4)cn3)C(=O)[C@H]3CCN3S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRNLIDISXGBRP-OAQYLSRUSA-N", "SMILES:O=C1NCc2cc(N(Cc3ccc(C4CCCCC4)cn3)C(=O)[C@H]3CCN3S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAZGBBGEGHQMP-OAQYLSRUSA-N", "SMILES:O=C1NC(=O)c2cc(N(Cc3ccc(C4CCCCC4)cn3)C(=O)[C@H]3CCN3S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFPDUXSSJGZHV-JOCHJYFZSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cc1)c1cc2[nH]ncc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYKCUCOPVLXNJ-OAQYLSRUSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cc1)c1ccc2cn[nH]c2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISDIKOYLYWWFR-OAQYLSRUSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cn1)c1cc2[nH]ncc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOONTWIAPMJUAA-HXUWFJFHSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1cnc(C2CCCCC2)cn1)c1cc2[nH]ncc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIROUPMICCBINE-HSZRJFAPSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cc1)c1ccc2nc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHUNZZCYISUBW-OAQYLSRUSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cn1)c1ccc2nn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEZYVDENXAUTQ-HXUWFJFHSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1cnc(C2CCCCC2)cn1)c1ccc2nn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTPYHNMCUYNBQI-JOCHJYFZSA-N", "SMILES:COC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXIILUZVZWPGIM-HSZRJFAPSA-N", "SMILES:COC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTOREZYNLPQUKM-FQEVSTJZSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)nc(N[C@@]3(CO)CCN(C(=O)OCC(F)F)C3)c2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWKDLGRKBRJAF-DEOSSOPVSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAGYRRYFJANAQG-OAQYLSRUSA-N", "SMILES:CC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWFIVJEKXKYLW-NRFANRHFSA-N", "SMILES:CNC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPIQLTVJCPYMV-NRFANRHFSA-N", "SMILES:COC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYQBLPXACEGTQ-FQEVSTJZSA-N", "SMILES:C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(S(C)(=O)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLADDXGUXPSLGC-FQEVSTJZSA-N", "SMILES:CNS(=O)(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSXZQWLLQTWSR-QHCPKHFHSA-N", "SMILES:CC(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJDANGYFFRPQI-QHCPKHFHSA-N", "SMILES:CC(C)(O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPNAGZGKVCYGY-QHCPKHFHSA-N", "SMILES:CC(C)(N)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNRMDDVUGJBHGZ-QFIPXVFZSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@](C)(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKSFHQCPBPUPW-QFIPXVFZSA-N", "SMILES:CC(C)(C)OC(=O)N1CC[C@](CO)(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJIDGVINVIZPC-IBGZPJMESA-N", "SMILES:COC(=O)N1CC[C@](CO)(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNUAXOLRMDFFMZ-FQEVSTJZSA-N", "SMILES:Nc1ncc(-c2cc(N[C@@]3(CO)CCN(C(=O)OCC(F)F)C3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTAAXWKPLMSXJJ-IBGZPJMESA-N", "SMILES:COC(=O)N1CC[C@](CO)(Nc2nc(N3CCOCC3)nc(-c3cnc(N)nc3)c2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDUURIYHJNAYDO-AWEZNQCLSA-N", "SMILES:CNS(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWOHIVZSQHNUEH-NRFANRHFSA-N", "SMILES:CC(C)C(=O)N1CC[C@](CO)(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBDMEXDBIHVBTA-SFHVURJKSA-N", "SMILES:CS(=O)(=O)N1CC[C@](CO)(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVBRBYYFSGTCAR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(OCCCn2c3c(c4cccc(Cl)c42)CCNC3)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEYGXZLHMDENBS-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCCNc2c3c(nc4cc(Cl)ccc24)CC2C=C(C)CC3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUFZKQKTTGOKEM-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCCCNc2c3c(nc4cc(Cl)ccc24)CC2C=C(C)CC3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUYMIZRMYBDGV-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCCCCNc2c3c(nc4cc(Cl)ccc24)CC2C=C(C)CC3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCGLPLMTBKSXHW-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCCCCCNc2c3c(nc4cc(Cl)ccc24)CC2C=C(C)CC3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDZYWOBROPAKNM-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CC2C=C(C)CC3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUVXAJRIZCOSF-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)c2ccc(CNc3c4c(nc5cc(Cl)ccc35)CC3C=C(C)CC4C3)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKBOIZOJSSJCG-FNORWQNLSA-N", "SMILES:COc1cc(CNC(=O)CCCC/C=C/CNc2c3c(nc4cc(Cl)ccc24)CC2C=C(C)CC3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNKNYKQOFRQZRV-HWKANZROSA-N", "SMILES:COc1cc(CNC(=O)CCCC/C=C/CCCNc2c3c(nc4cc(Cl)ccc24)CC2C=C(C)CC3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCRFEREEQOYQN-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)Cc2cn(CCCCC3=CC4Cc5nc6cc(Cl)ccc6c(N)c5C(C3)C4)nn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140476", "category": ["biolink:ChemicalEntity"], "name": "HUPRINE Y", "xref": ["InChIKey:UKCBMHDZLYYTMI-UHFFFAOYSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFKLWZYLCTNSD-AGNBHXSSSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H]([C@@H]2O[C@@H](Sc3cccc(OCc4ccccc4)c3)C[C@H]2C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWQQCCWQXFJUHJ-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"name": "N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D", "xref": ["CHEMBL.TARGET:CHEMBL4630839"], "id": "UniProtKB:Q6IQ20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUOIBRJJQCXFD-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1cc(N2CCOCC2)cc(C(=O)NCC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCSIGMNAYBUVDE-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1cc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGIZGINSUCISW-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1cc(C(=O)NCC2CC2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQXVTAKOYIJKAJ-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZFGDQUGXLSDZ-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(N)=O)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXMJXUWHJDKFFJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZFHGZOLMRRQHX-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNPHBVQGWNJWPB-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUYBUXHDFJLMT-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEXCFOASGDIKKO-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSWZIOYZCIOJLZ-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEMHKAKJFGYNH-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC(C)(C)C)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSRSJVAZBNNMFV-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCXZFZMNFBBXFN-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC(F)(F)F)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUHXXUNNXDCIT-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYXNYMRXJBXSR-UHFFFAOYSA-N", "SMILES:CNC(=O)CNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRTZGPVOALBHE-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCCO)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHFMHNOTWXAGU-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABFJWLCKLOEENU-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC#N)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFUAIZUCXGQDAN-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCc2nccs2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYBQKHNMTPWGNB-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCc2ccccc2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXZGTGIELCGMW-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(-c2ncc(C3CC3)[nH]2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXAZTKWTJLHSJ-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(NC(=O)CC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXBKURQXWXJLIF-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(NCCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFFPTGMLFPKNQ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBMKTOGPJQIJM-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(NCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGIRIZVNCVMEIA-UHFFFAOYSA-N", "SMILES:CN(CCCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCACEQJKTZQNI-UHFFFAOYSA-N", "SMILES:CN(CCCCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYMSRNPIRZYLV-UHFFFAOYSA-N", "SMILES:CN(CCc1ccc(Cl)cc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTSKVFOMULNZMC-UHFFFAOYSA-N", "SMILES:CN(CCc1cccc(Cl)c1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSFGTXYIGFWCCK-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1Cl)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCCMYMWKGKAOF-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCN(C)c2nc(C(=O)NCC3CC3)cc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQATLBGPVFWML-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCN(C)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQREPOBTNYUOZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)c2nc(C(=O)NCC3CC3)cc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRRDANZPHSFJJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCN(C)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYABZZUCKGXFMT-UHFFFAOYSA-N", "SMILES:CN(CCc1ccc(C(F)(F)F)cc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOZCRVUXLSCGQX-UHFFFAOYSA-N", "SMILES:CN(CCc1ccc(Oc2ccccc2)cc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJFMJZYTQUMJL-UHFFFAOYSA-N", "SMILES:CN(CCc1cccc(Oc2ccccc2)c1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXZONHRRXVISP-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1Oc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHKKDXPSMGKHNM-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1-c1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLUBTNBYVKXDB-UHFFFAOYSA-N", "SMILES:CN(CCc1ccncc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKQRPHFCXOQBF-UHFFFAOYSA-N", "SMILES:CN(CCc1cccnc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEJMVASDBGANI-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccn1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHXACLAZBWQBJW-UHFFFAOYSA-N", "SMILES:CN(CCc1cccs1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFKHUQAQNKXNG-UHFFFAOYSA-N", "SMILES:CCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBTZIUKXZPBCG-UHFFFAOYSA-N", "SMILES:CC(C)N(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXJWZPSZBTHPT-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N(CCc2ccccc2)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPXYDQPVUSXOCP-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N(CCc2ccccc2)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKLNCOPCXKMPHH-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N(CCc2ccccc2)Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLITYRILSKRQU-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N(CCc2ccccc2)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYTOBZVHLPCWFQ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTDKVMGRPTIHB-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCC(c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBKQFYVKMQQNCN-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCC(c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WETHZBLJDBKXKV-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCC2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKTXJOGDLHWCY-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCCC2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEEJKUMVTJPDKB-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCCC2CC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYSLHMWXDXPRV-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2CCCCN2c2nc(C(=O)NCC3CC3)cc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGRMTWNAKLFHY-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCOC(c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJHHGREOZFOFB-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCNC(c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNYQHUJXVGFJMU-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3)C(c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPCZATMFZMKUJQ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCN(C(=O)OCc3ccccc3)C(c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQWOPWDZXWHXFR-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXHMZMDMOHRBX-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCCC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIUBCQKNAYHVSU-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZPHUYAWIGFOQ-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCSCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHACVRKQDTUSGJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)NCC3CC3)nc(N(C)CCc3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKHNOMCPDERNG-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJHRPKRTCRUIOA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cc(C(=O)NCC3CC3)nc(N(C)CCc3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHXAFRZFIJOQEV-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCN(C(=O)c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVAMEBCRKHYLMF-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCN(C(=O)OCc3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBUPWRLQABTMO-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTSROKCLCFGECD-UHFFFAOYSA-N", "SMILES:CNc1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBRESCIQSAIOU-UHFFFAOYSA-N", "SMILES:CN(CCO)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXNNHCOELSAHZ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFILTTJAYBZQKE-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZGJCARKVSLFP-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CC3(COC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFIPUUMPPUPNIO-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMHUJIIEWHXQPO-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOPDRTDZPPOXDV-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC(O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOPDRTDZPPOXDV-GOSISDBHSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CC[C@@H](O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOPDRTDZPPOXDV-SFHVURJKSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CC[C@H](O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRWLIRHXZPMNX-UHFFFAOYSA-N", "SMILES:COC1CCN(c2cc(C(=O)NCC3CC3)nc(N(C)CCc3ccccc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVRTYXUFDNXSM-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC(N(C)C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEQXVXIKZIVMW-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC(c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQNSNSGQOVWTFG-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWDZNSOAFCWCH-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLFYWPAMXKECJA-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(-n2cccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMYKYIARTVONI-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUBOZNICHRLRL-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(Oc2ccccc2)cc(C(=O)NCC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZPRFDJVGSUBC-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)c1nc(Oc2cccnc2)cc(C(=O)NCC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPKWMWNXWGJTO-GOSISDBHSA-N", "SMILES:CN(C)c1cc(C(=O)NCC2CC2)nc(N2CCC[C@@H](c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPKWMWNXWGJTO-SFHVURJKSA-N", "SMILES:CN(C)c1cc(C(=O)NCC2CC2)nc(N2CCC[C@H](c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBKQFYVKMQQNCN-HXUWFJFHSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCC[C@@H](c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWWHQVFZXCBOTC-HXUWFJFHSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CCS(=O)(=O)CC2)nc(N2CCC[C@@H](c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHJYPQZBBHOCC-WOJBJXKFSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CC[C@@H](O)C2)nc(N2CCC[C@@H](c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHJYPQZBBHOCC-PMACEKPBSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CC[C@H](O)C2)nc(N2CCC[C@H](c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHJYPQZBBHOCC-VQTJNVASSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CC[C@@H](O)C2)nc(N2CCC[C@H](c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHJYPQZBBHOCC-UXHICEINSA-N", "SMILES:O=C(NCC1CC1)c1cc(N2CC[C@H](O)C2)nc(N2CCC[C@@H](c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEKPLYSAFCWFZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCNP(=O)(O)OCC(COC(=O)CCCCC)OC(=O)CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1717333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBKTSMZCIBQGM-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2sc3ccccc3c2-c2ccc(OCCN(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBGIIQHYNFABO-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(-c4ccncc4)cc3)ccc2[nH]1"]}
{"name": "N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D", "xref": ["CHEMBL.TARGET:CHEMBL2163172"], "id": "UniProtKB:Q8BH82", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZBKZSXYSVTSA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(NCc2ccc3c(c2)OCO3)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTQSMPJDPHINU-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(NCc2ccc(OC)c(F)c2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHMRXPDAKCKGSM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(NCc2ccc(OC)c(F)c2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMZWWIUALRWSSO-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)NC3CC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSFSWPCOMRQQRR-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1cc(NCc2ccc(OC)c(F)c2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGHHGNHBARDIRP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)NCC(C)C)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZPCTIZWWIVOU-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)NCC3CC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXAMZUBINWBJR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)NCC(C)(C)C)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYCONBHLWIYEO-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)NCC3CCC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVNIIWHSRPGTI-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)NCC3CCCC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOEGQEWNYKJUHV-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)NCC3CCCCC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APSURJRVMYKBRX-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)N3CCCCC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHGCHMYZMFKMFG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)NCC(C)(C)F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMIVOZPBNLICKK-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)NCC3(O)CC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOTWQBHWDACHFC-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)NCC(C)(C)O)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOJAWLAXAPKNE-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2cccc(C(=O)NCC3CC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXOVUWYDFALZNN-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(N3CCC(O)CC3)c(C(=O)NCC3CC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSPIOIEHBUDOA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(C3CCOCC3)c(C(=O)NCC3CC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKJFZCBCIUYHI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPHXKTWLUDVJI-CSKARUKUSA-N", "SMILES:O=S(=O)(/C=C/c1ccccn1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYOITEAFSJLOLM-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1F)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYOITEAFSJLOLM-CLFYSBASSA-N", "SMILES:O=S(=O)(/C=C\\c1ncccc1F)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSWMXFXNOFCPC-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1Cl)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSWMXFXNOFCPC-CLFYSBASSA-N", "SMILES:O=S(=O)(/C=C\\c1ncccc1Cl)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXQHXVOZGYQGBX-BQYQJAHWSA-N", "SMILES:O=S(=O)(/C=C/c1ccc(Cl)cn1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSMJCKGRLXTGY-CMDGGOBGSA-N", "SMILES:O=S(=O)(/C=C/c1cccc(Cl)n1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSQOAJTHXYYAL-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1ccccn1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXPPUPITMIKNSR-SOFGYWHQSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1F)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKVTZVWJCGSAHV-SOFGYWHQSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1Cl)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDOVYQDPXUPXHT-VOTSOKGWSA-N", "SMILES:O=S(=O)(/C=C/c1ccc(Cl)cn1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDRVXVQWOSTEU-CSKARUKUSA-N", "SMILES:O=S(=O)(/C=C/c1ccccn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXIMBPXZVXKUBD-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1F)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYERRJWEEFOODT-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1Cl)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKVTZVWJCGSAHV-VURMDHGXSA-N", "SMILES:O=S(=O)(/C=C\\c1ncccc1Cl)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJLXUKPARFXABR-BQYQJAHWSA-N", "SMILES:O=S(=O)(/C=C/c1ccc(Cl)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUNXDMUSFGHRAB-CMDGGOBGSA-N", "SMILES:O=S(=O)(/C=C/c1cccc(Cl)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUUMCMWZWAWFN-CSKARUKUSA-N", "SMILES:O=S(=O)(/C=C/c1ccccn1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFPWIMWBXKJPJS-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1F)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFPWIMWBXKJPJS-CLFYSBASSA-N", "SMILES:O=S(=O)(/C=C\\c1ncccc1F)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHALPOQOOPKOK-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1Cl)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHALPOQOOPKOK-CLFYSBASSA-N", "SMILES:O=S(=O)(/C=C\\c1ncccc1Cl)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEJZXSQVOZSUPK-BQYQJAHWSA-N", "SMILES:O=S(=O)(/C=C/c1ccc(Cl)cn1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFXKDCZRUNWJSN-HJWRWDBZSA-N", "SMILES:O=S(=O)(/C=C\\c1cccc(Cl)n1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBSSFJFRODNBOL-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1ccccn1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMAVNGXDLRPDS-SOFGYWHQSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1F)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMAVNGXDLRPDS-VURMDHGXSA-N", "SMILES:O=S(=O)(/C=C\\c1ncccc1F)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCXTYQNIWTPIN-SOFGYWHQSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1Cl)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCXTYQNIWTPIN-VURMDHGXSA-N", "SMILES:O=S(=O)(/C=C\\c1ncccc1Cl)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMUGTNQRQKPTG-VOTSOKGWSA-N", "SMILES:O=S(=O)(/C=C/c1ccc(Cl)cn1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKXZXVJQVEWIN-BQYQJAHWSA-N", "SMILES:O=S(=O)(/C=C/c1cccc(Cl)n1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWWOUDOBSFKGAK-CSKARUKUSA-N", "SMILES:O=S(=O)(/C=C/c1ccccn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQOCRFIHFOOAJN-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1F)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWCCPNKJFDCPI-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1ncccc1Cl)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWCCPNKJFDCPI-CLFYSBASSA-N", "SMILES:O=S(=O)(/C=C\\c1ncccc1Cl)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTTBSQCOYYZQIY-BQYQJAHWSA-N", "SMILES:O=S(=O)(/C=C/c1ccc(Cl)cn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZHLFJLGTPBODK-CMDGGOBGSA-N", "SMILES:O=S(=O)(/C=C/c1cccc(Cl)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQHIEFYRUXIFLD-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1cccnc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDORFYJRSSHGOC-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1cccnc1Cl)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDORFYJRSSHGOC-CLFYSBASSA-N", "SMILES:O=S(=O)(/C=C\\c1cccnc1Cl)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNCQXFRGGAZCIK-BQYQJAHWSA-N", "SMILES:O=S(=O)(/C=C/c1ccc(Cl)nc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRWJHAPILQZOGG-VURMDHGXSA-N", "SMILES:O=S(=O)(/C=C\\c1cccnc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZXRVEKQWYYCAI-SOFGYWHQSA-N", "SMILES:O=S(=O)(/C=C/c1cccnc1Cl)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYAKPVGDIMFWDX-VOTSOKGWSA-N", "SMILES:O=S(=O)(/C=C/c1ccc(Cl)nc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYAKPVGDIMFWDX-SREVYHEPSA-N", "SMILES:O=S(=O)(/C=C\\c1ccc(Cl)nc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQBLRQARHXQKC-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1cccnc1Cl)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZDJQGLKHQSGJF-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1cccnc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHCVOAZCSLENS-CLFYSBASSA-N", "SMILES:O=S(=O)(/C=C\\c1cccnc1Cl)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHCVOAZCSLENS-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1cccnc1Cl)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJURVIUOHBSRID-BQYQJAHWSA-N", "SMILES:O=S(=O)(/C=C/c1ccc(Cl)nc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMPHRFAIWDWBZ-SOFGYWHQSA-N", "SMILES:O=S(=O)(/C=C/c1cccnc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNSGELIRERNPQQ-SOFGYWHQSA-N", "SMILES:O=S(=O)(/C=C/c1cccnc1Cl)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJXTTZDPVZEHD-VOTSOKGWSA-N", "SMILES:O=S(=O)(/C=C/c1ccc(Cl)nc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJXTTZDPVZEHD-SREVYHEPSA-N", "SMILES:O=S(=O)(/C=C\\c1ccc(Cl)nc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQVGQLBDWUVWPI-VQHVLOKHSA-N", "SMILES:O=S(=O)(/C=C/c1cccnc1Cl)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUALWVYSQJFMK-JXMROGBWSA-N", "SMILES:O=S(=O)(/C=C/c1ccncc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIGRTMNNRZVBTJ-RMKNXTFCSA-N", "SMILES:O=S(=O)(/C=C/c1ccncc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRWERXPRZEBNB-JXMROGBWSA-N", "SMILES:O=S(=O)(/C=C/c1ccncc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEJFWRGXLDEJZ-RMKNXTFCSA-N", "SMILES:O=S(=O)(/C=C/c1ccncc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPPXLRMDLNKJKX-IRUZEZBVSA-N", "SMILES:COC(=O)[C@H]1C[C@]2(C)[C@H](C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@]32C)[C@@H]2CC(C)(C)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUMOGXWEPSHDB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)oc2cc(NC(=O)CCN3CCN(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXQXOVMYFASKKD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)oc2cc(NC(=O)CCN3CCN(Cc4ccc(F)cc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHYMUIBLHMPSQD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)oc2cc(NC(=O)CCN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEDRWYMVDCTGFZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)oc2cc(NC(=O)CCN3CCC(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDQKUGNVHLUMU-UHFFFAOYSA-N", "SMILES:CN(CCC(=O)Nc1ccc2c(c1)oc(=O)n2C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKPKLQZFWTNLT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(NC(=O)CCN3CCN(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBRMCMIAKFMCQQ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(NC(=O)CCN3CCN(Cc4ccc(F)cc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUAYWEFHGSCEGY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(NC(=O)CCN3CCC(c4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUHEAXHZCDVLC-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(NC(=O)CCN3CCC(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQIPACZSSLDZKC-UHFFFAOYSA-N", "SMILES:CN(CCC(=O)Nc1ccc2c(c1)sc(=O)n2C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDDCZKAGXKFJMD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)oc2cc(NC(=O)CCCN3CCN(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIFVRBQXNXJGQA-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(NC(=O)CCCN3CCN(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBCEPJCYVDINZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)oc2cc(NC(=O)CCCCN3CCN(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSBYMHMXYDKTKT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(NC(=O)CCCCN3CCN(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWLTTFQSVGFMF-UHFFFAOYSA-N", "SMILES:Cn1c(=O)oc2cc(C(=O)CCN3CCN(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNFAYJGOKLFDOK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(C(=O)CCN3CCN(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PELFIHBSIDDGNZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(C(=O)CCN3CCC(c4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXWHINWXLLZDU-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(NC(=O)CCCN3CCC(c4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYJFGLBOOSWANX-UHFFFAOYSA-N", "SMILES:Cn1c(=O)sc2cc(NC(=O)CCCCN3CCC(c4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASHBQTXIYOLPQT-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccnc(NC(C)CN3CCN(C)CC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAHPWKWHSCNRBO-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccnc(NCCc3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETVKKOWRDFLAU-UHFFFAOYSA-N", "SMILES:c1ccc(CCNc2nccc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXSAXVBPJVBRDV-UHFFFAOYSA-N", "SMILES:COC1CCN(c2ccnc(NCCc3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXQFDJKKCXBMRN-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccnc(NCCc3ccccn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STCJLASPKWDPCG-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccnc(NCCc3cccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIXZNDANFFZQE-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccnc(NCc3cccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778870", "category": ["biolink:ChemicalEntity"], "name": "TP-040", "xref": ["InChIKey:PWKAYICUBVNJAZ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGWMJHCCYYCSF-QMMMGPOBSA-N", "SMILES:N[C@@H](Cc1ccc(Cl)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4761947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEDWEVORNQQVAP-RSAXXLAASA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJGFBQGCASYIBO-UQKRIMTDSA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZWUKILTKYJLCN-XEGCMXMBSA-N", "SMILES:Nc1nc(OC(c2ccc(-c3cccc(F)c3)cc2)C(F)(F)F)cc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURSOFLTBJIGQD-UQKRIMTDSA-N", "SMILES:Cl.N[C@@H](Cc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQWCNRTMMVNFS-BDQAORGHSA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1-c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFKNVWQMRXIBP-BOXHHOBZSA-N", "SMILES:COc1ccc(-c2cc(-c3nc(-c4ccc(C[C@H](N)C(=O)O)cc4)no3)ccc2OC)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCVBBZFDILUGR-BDQAORGHSA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1-c1ccc(O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHCEYZPGFGLIZ-FTBISJDPSA-N", "SMILES:CCOC(=O)[C@@H](N)Cc1ccc(-c2noc(-c3ccc(OC)c(-c4ccc(O)cc4)c3)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLJLFMMUXPLKD-VNJAQMQMSA-N", "SMILES:Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNBAKKFJLAOVAI-BDQAORGHSA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1-c1cccc(O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMRILSPWLNNOJL-FYZYNONXSA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1-c1ccccc1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZAORGQQUQTOT-BOXHHOBZSA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)c(-c2ccc(O)cc2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPRPDDZGUBQCH-NTISSMGPSA-N", "SMILES:COc1ccc(-c2cnc(-c3ccc(C[C@H](N)C(=O)O)cc3)[nH]2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHHQXFDYUXFGMK-NTISSMGPSA-N", "SMILES:COc1ccc(-c2cnc(-c3ccc(C[C@H](N)C(=O)O)cc3)s2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLYHPFPTRWDUCJ-RSAXXLAASA-N", "SMILES:COc1ccc(-c2cnc(-c3ccc(C[C@H](N)C(=O)O)cc3)s2)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGDAILDJTKTVIH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C)c(C(=O)CSc3nc(N)c(C#N)c(-c4ccc(OC)cc4)n3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZQXVJIAETXXPM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C)c(C(=O)CSc3nc(-c4ccc(OC)c(OC)c4)c(C#N)c(=O)[nH]3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPQVWIBTCGJRNL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCC(=O)c3sc(-c4ccccc4)nc3C)nc(N)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMCDHSYDVQJOGE-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEAYOTAXACGNDI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C)c(C(=O)CSc3nc(N)c(C#N)c(-c4ccccc4)n3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVNDESQVQOWQX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C)c(C(=O)CSc3nc(N)c(C#N)c(-c4ccc(Cl)cc4)n3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYGXGIPGFEIFS-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)CSc1nc(N)c(C#N)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVCBTDSTDBUAPK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCC(=O)c3sc(-c4ccc(Cl)cc4)nc3C)nc(N)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKHXSMWHHAZLL-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUCRLALELTPGZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc2nc3c(nc2c1)N(CCCN(C)C)CC1c2ccccc2CCN31.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL107498", "category": ["biolink:ChemicalEntity"], "name": "DECANOIC ACID", "xref": ["InChIKey:GHVNFZFCNZKVNT-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL49623", "category": ["biolink:ChemicalEntity"], "name": "(R,S)-IFENPRODIL", "xref": ["InChIKey:UYNVMODNBIQBMV-KKSFZXQISA-N", "SMILES:C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL113830", "category": ["biolink:ChemicalEntity"], "name": "(S,R)-IFENPRODIL", "xref": ["InChIKey:UYNVMODNBIQBMV-IIBYNOLFSA-N", "SMILES:C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL493054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNVMODNBIQBMV-IERDGZPVSA-N", "SMILES:C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL319706", "category": ["biolink:ChemicalEntity"], "name": "(S)-IFENPRODIL", "xref": ["InChIKey:UYNVMODNBIQBMV-HRAATJIYSA-N", "SMILES:C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4474770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZKTINXWPQHBG-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2cnoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560895", "category": ["biolink:ChemicalEntity"], "name": "SNX-2112", "xref": ["InChIKey:ZFVRYNYOPQZKDG-MQMHXKEQSA-N", "SMILES:CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1"], "synonym": ["Snx-2112", "PF-04928473"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYVPGARPINGLW-UAPYVXQJSA-N", "SMILES:Cc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRZNGGOLJIIPGT-KESTWPANSA-N", "SMILES:CCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBXNOOOAJKOOD-KESTWPANSA-N", "SMILES:Cc1nn(-c2cc(N[C@H]3CC[C@H](O)CC3)c3c(=O)[nH]c(C(C)C)cc3c2)c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRUAXSIQUFUVJC-XGAFWQRZSA-N", "SMILES:CCCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVUYCYDQQQDIT-XYWHTSSQSA-N", "SMILES:CCCCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZDAKPINHFRBW-XYWHTSSQSA-N", "SMILES:Cc1nn(-c2cc(N[C@H]3CC[C@H](O)CC3)c3c(=O)[nH]c(CC(C)C)cc3c2)c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDUHHDUZOWMMQ-KESTWPANSA-N", "SMILES:Cc1nn(-c2cc(N[C@H]3CC[C@H](O)CC3)c3c(=O)[nH]c(C4CC4)cc3c2)c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEGYDXAGGLLELC-IRJFHVNHSA-N", "SMILES:COCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQSXISQRCWETH-RUCARUNLSA-N", "SMILES:Cc1nn(-c2cc(N[C@H]3CC[C@H](O)CC3)c3c(=O)[nH]c(CO)cc3c2)c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTHMJQYAVGWLX-UHFFFAOYSA-N", "SMILES:CCCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N3CCOCC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCMRWDZMVGIFA-UHFFFAOYSA-N", "SMILES:CCCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N3CCC(O)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYABGFDPMDONNP-UHFFFAOYSA-N", "SMILES:CCCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N3CCN(C)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIHNHECWQYHTKE-UHFFFAOYSA-N", "SMILES:CCCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N3CCNCC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGMPPVAZUNBPH-UHFFFAOYSA-N", "SMILES:CCCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPGLBKBUZYBNM-UHFFFAOYSA-N", "SMILES:CCCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(NC3CCN(C)CC3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVORYAWWYSUCJJ-UHFFFAOYSA-N", "SMILES:CCCc1cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N(C)CCN(CC)CC)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOPWFQHOLWJJQZ-ZXGUBIASSA-N", "SMILES:CCCC1Cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N[C@H]3CC[C@H](O)CC3)c2C(=O)N1"]}
{"name": "Endoplasmin", "xref": ["CHEMBL.TARGET:CHEMBL4748"], "id": "UniProtKB:P41148", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMWPGILRALSFPN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(OC)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGJWTXBZPXDBJJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGLRCIPUANFNC-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHEPXWWYKLYEIC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZFBVDRQOYRCJI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORZSTVAEYBLQI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAGCTLZTXSMKI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(OC)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLIKEOLZDGENI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(C#N)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFKFPDJIWVGACL-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWRVMMQVVSXYFS-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(Nc3c(C(=O)NC4CC4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZOLJSXWMRHPM-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(Nc3c(C(=O)NC4CCCC4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWXDQCOEFOFQIY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBQFYEVVVQNQLY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXEYRDDVRBKXEF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYFUVKPUCJATNL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCEKDUAGYKBRDW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2cccc(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNRSNGYSTQQFNW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NCC1CCN(Cc2ccc(OC)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFCAUKMZRSPSV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJKMJRZBVBOXHX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHHJOBKVURZMHE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNEYECYIYWPPAG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(OC)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIFYBRYACUYLDA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(OC)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOAOQMGLBEPQB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNWPZRNYJWEOJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLYYINPNLEYCE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXSVTYBEFKROT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSABBKKGHHQDOK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVKHMXSFMUAKQN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNEJBTWPTZHDRS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALXERINAPMGOT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJUDJCZXJXPNPJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFQFIEBDESUTCL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2cccc(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCLUMQWYCHVNMN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2ccc(OC)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXRBJQOXNHDRP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCCN(Cc2ccc(C#N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHMNSRVYVHWEZ-DOTOQJQBSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTIJRCKDVYVEF-WMLDXEAASA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAVSMABHFLBCSH-WMLDXEAASA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUDOWCMPQBMECF-DOTOQJQBSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYNESZZUYHYMK-DOTOQJQBSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTIJRCKDVYVEF-RHSMWYFYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAVSMABHFLBCSH-RHSMWYFYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUDOWCMPQBMECF-NVXWUHKLSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYNESZZUYHYMK-NVXWUHKLSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMORIXSAABZYGC-CRAIPNDOSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWIFFMRJNQSIQA-CZUORRHYSA-N", "SMILES:C[C@@H]1C[C@H](Nc2c(C(N)=O)cnc3[nH]ccc23)CCN1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFYPGTZSKVSOS-GDBMZVCRSA-N", "SMILES:COc1cccc(CN2CC[C@@H](Nc3c(C(N)=O)cnc4[nH]ccc34)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETBCWGHKWNNTP-QZTJIDSGSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCQCEJRCQDCKL-RTBURBONSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCQCEJRCQDCKL-RBUKOAKNSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(OC)c2)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAVSMABHFLBCSH-YOEHRIQHSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(Cl)cc2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLNKQZLPGLOSI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDVQPKVFJGOII-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1[S+]([O-])CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRANURXPKRRKP-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQPWENSCDPIGR-HJRQUUCWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAGWFDXUQWQGE-WECFICRXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMOBKUHELCHCKY-KALAAKLTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWWPGFZOFJMCP-DCKQJDKTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUGSHQZKHLZENV-DIDCNYRSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKEDSHSHGNAQDA-APYQUMOISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MREMAWQXBDPMKX-HVTMSEKVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSJGXNSABQPEKM-SBUIBGKBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C"]}
{"name": "Glucagon receptor", "xref": ["CHEMBL.TARGET:CHEMBL4720"], "id": "UniProtKB:P30082", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232562", "category": ["biolink:ChemicalEntity"], "name": "ERGOSTEROL", "xref": ["InChIKey:DNVPQKQSNYMLRS-APGDWVJJSA-N", "SMILES:CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"name": "Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523284"], "id": "UniProtKB:Q13011", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOADUGSFXRAUQJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBFVGZLRYYBGLD-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBXLCRABMMMPB-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKXFPDFYZPOER-UHFFFAOYSA-N", "SMILES:CCCNc1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFOVBSMHIWSYDL-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFFINIHFZRIKU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYHEQPPVBBSPR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(Nc3ccccc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDYSFDWUDWTJH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(NCc3ccccc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZCMALWZKOTSE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(NCCCc3ccccc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFWVBKBTBQVAS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(NCCCCc3ccccc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLUYMMJHZMCTR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(NCc3ccccn3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKKLAAOYSPQEP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(NCc3cccnc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXHGGTUWGFIZHB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(NCc3ccncc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNKPNPQRZWSNLA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(Nc3ccccc3O)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGPVNFOVJEIAF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(Nc3cccc(O)c3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKFGAHHGQXNGF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(Nc3ccc(O)cc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHOILFILDYVLOR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSRMTCCRYPMGOV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ccnc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20936", "category": ["biolink:ChemicalEntity"], "name": "BENZAMIDINE", "xref": ["InChIKey:PXXJHWLDUBFPOL-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL103102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUUYRYYUKNNNNS-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL312145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZFTWWJAUZOJDH-MOPGFXCFSA-N", "SMILES:N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4741823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLNFLUDIXFKTN-MSOLQXFVSA-N", "SMILES:N=C(N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUGEKUGFKKRIV-UXHICEINSA-N", "SMILES:NCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL321130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJHLRGCXPGIPCB-MOPGFXCFSA-N", "SMILES:N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4753933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZORHKVFKUMAV-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCOCCNC(=O)CCN1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKRPXKOBLFWMO-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCOCCNC(=O)CCN1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVEUKDATFUNRQO-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCOCCOCCNC(=O)CCN1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOSWFYKLMBNGED-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCNC(=O)CCN1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTBCVZRVCCSEF-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCOCCOCCOCCNC(=O)CCN1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDYYRVHVYBIHKT-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCCCCCNC(=O)CCN1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMKLIBWZTRZRMU-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCCCNC(=O)CCN1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSUPEDTACSAHX-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCNC(=O)CCN1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEFCTINHTWKDV-UHFFFAOYSA-N", "SMILES:Nc1ccc(-n2cc(CNC(=O)c3c[nH]c(-c4ccccc4)n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULIGSJEQRJLHR-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-n2cc(CNC(=O)c3c[nH]c(-c4ccccc4)n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZIXYCKRRUMKOK-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2c3cc4c(cc3n(CCN(C)C)c2c2ccc(Cl)cc21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYSNRKCETZXFP-OPXUYRSOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODJZSDGUDAYST-COPDPBGYSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVLJKZXGCDJLBZ-WSKGSGNSSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULLZVTCNYSGOMX-ORUZXOCWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEJLAEKBOJHOEI-IGDYNQDMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFIDNONOGWPFB-DOMZDNENSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYIYWQNIXRLRBZ-UJNADNKXSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFSSLRRQUPYDGI-MVMWUTNWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCAGNFQVCDHJB-LFNWBSQOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVEPFVHHDQDVCY-NHAATRMISA-N", "SMILES:CC[C@H](C)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1)C(C)(C)C)C1CCCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWQDKICAJPHQC-NSARYOKKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(C)(C)C)C1CCCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLVPELQHPADOHT-STDWALMZSA-N", "SMILES:CC[C@H](C)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)(C)C)C1CCCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBYDQNLBTRGTOX-TUHQBCDLSA-N", "SMILES:CC[C@H](C)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(C)(C)C)C1CCCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVYBDDZRUTBDW-LGLFOCJNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(C(=O)[O-])c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c1)C(C)(C)C)C1CCCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTIDCCYFBTZRM-TYKMPPDJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)(C)C)C1CCCCC1)C(=O)O"]}
{"name": "Syntenin-1", "xref": ["CHEMBL.TARGET:CHEMBL4739669"], "id": "UniProtKB:O08992", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMZLCSYDRWWLEY-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCNC(=O)c4cc5c(o4)C(=O)c4ccccc4C5=O)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZOJMHACCGOKQK-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCCNC(=O)c4cc5c(o4)C(=O)c4ccccc4C5=O)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKYDJJPAZKVHV-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCNC(=O)c4cc5c(o4)C(=O)c4ccccc4C5=O)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSCCMLXMLWGPH-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCNC(=O)c4cc5c(o4)C(=O)c4ccccc4C5=O)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLDIMLVSAZDSP-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCOCCNC(=O)c4cc5c(o4)C(=O)c4ccccc4C5=O)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTJQXJWPMFFEO-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCCC4CCN(CCNC(=O)c5cc6c(o5)C(=O)c5ccccc5C6=O)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSMIEGCVBFRHBQ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(C#CCCCNC(=O)c4cc5c(o4)C(=O)c4ccccc4C5=O)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYGTGBSGJKWJB-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCNC(=O)c4cc5c(o4)C(=O)c4ccccc4C5=O)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFPIIRPLLLOLMH-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEKREJWRSZFNDS-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3c(NCCOCCOCCNC(=O)c4cc5c(o4)C(=O)c4ccccc4C5=O)cccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVEIESGZWQMPSC-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(NCCCCCC4CCN(CCNC(=O)c5cc6c(o5)C(=O)c5ccccc5C6=O)CC4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTXSURHVQUCGJD-SCGHQDTESA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCNC(=O)c2cc3c(o2)C(=O)c2ccccc2C3=O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIXVAPOWPNHBP-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3ccc(NCCOCCOCCNC(=O)c4cc5c(o4)C(=O)c4ccccc4C5=O)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUZLIMFGHKWCDE-ODSVIUALSA-N", "SMILES:C#CCCCC(=O)OC(C)(C)[C@H]1CC[C@]2(CO2)[C@@H](OC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRUKGBABAGTMIR-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4795940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKZFAPRZDGEOJC-UHFFFAOYSA-N", "SMILES:CCCc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODWTZWXOFCNKE-UHFFFAOYSA-N", "SMILES:CCCCC=CCc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKGRTMIAIVJTDH-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)cc(O)cc2oc2cc(O)c(O)c(CCCc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMWKUXNDAXYSJ-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(O)cc2oc3cc(O)c(O)cc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4775985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYKJPZGXUHJNOJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1cc(O)cc2oc3cc(O)c(O)cc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZJLQCDIHHBDFE-UHFFFAOYSA-N", "SMILES:O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCCCCN3CCc4ccccc43)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIDHUYNLVXETI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(OCc3cc(OC)ccc3OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COLAZIIUILQRBH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQAPHHJZMQAGSX-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LENBDQFFJSXNPK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDFTXXQAWRHHEH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccccc43)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADQNOUWIKWXCLC-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC(c3ccc(C)cc3)=NN2C(=O)Cn2c(=O)oc3ccccc32)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTOFQRBQXZWANG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccccc43)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWZUOIQPVADLD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccccc43)C(c3cccc(OC)c3OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNHTWUFENZRRL-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=NN(C(=O)Cn2c(=O)oc3ccccc32)C(c2ccccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVCZXYOGYAKIBC-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=NN(C(=O)Cn3c(=O)oc4ccccc43)C(c3ccccc3Cl)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMUVGQZJKYSSAO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccccc43)C(c3ccccc3Cl)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVJKEIQNWAVKJI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccc(C)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJIRNNLIPCYIE-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccc(C)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRDNIFQDWMRBEF-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccc(C)cc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPPBZAVMUBBENC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJYKJPMDYKOVJT-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC(c3ccc(C)cc3)=NN2C(=O)Cn2c(=O)oc3ccc(C)cc32)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKARHTGLEKKNGB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHUKOCSKOBZMAC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C(c3cccc(OC)c3OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAROXEWLUCZTHU-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=NN(C(=O)Cn2c(=O)oc3ccc(C)cc32)C(c2ccccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOGEQAQMIYFNH-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C(c3ccccc3Cl)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMGCWCYOCVVMQE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C(c3ccccc3Cl)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTXYMCWIPEHDV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQLNTFSFMCCLG-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccc(Cl)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPDUULDKMVVIH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccc(Cl)cc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPQKOIZQAHJJFJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXQJGHBFWULLY-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC(c3ccc(C)cc3)=NN2C(=O)Cn2c(=O)oc3ccc(Cl)cc32)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKWYOBRPNMCRCV-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHAUBYWFPNTNQR-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)C(c3cccc(OC)c3OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYZLKQTQKEZPX-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=NN(C(=O)Cn2c(=O)oc3ccc(Cl)cc32)C(c2ccccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFBBBDMQZLNHW-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)C(c3ccccc3Cl)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKFUCUXYDPVOT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)C(c3ccccc3Cl)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUVRMWWPDCSDLD-DEWWSIIASA-N", "SMILES:O=C(Cn1c(=O)oc2ccccc21)N/N=C(\\C=C\\c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDLFZVHGCWHBK-ZNNDOPIPSA-N", "SMILES:COc1cccc(/C=C/C(=N\\NC(=O)Cn2c(=O)oc3ccccc32)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKGQEBJEVCRNU-SDKVNCLTSA-N", "SMILES:COc1ccccc1C(/C=C/c1ccccc1Cl)=N/NC(=O)Cn1c(=O)oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKIPOGBSJTQFS-CNZWSCFVSA-N", "SMILES:COc1ccc(C(/C=C/c2ccccc2Cl)=N/NC(=O)Cn2c(=O)oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQOUOWORCOQRLC-KNUXPBIZSA-N", "SMILES:COc1ccc(C(/C=C/c2ccccc2)=N/NC(=O)Cn2c(=O)oc3ccc(C)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMRLWGTYLNWFB-PQSQGURPSA-N", "SMILES:COc1ccccc1C(/C=C/c1ccccc1Cl)=N/NC(=O)Cn1c(=O)oc2ccc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPASNIOHJFWHJR-LSPNWHOCSA-N", "SMILES:COc1ccccc1/C=C/C(=N\\NC(=O)Cn1c(=O)oc2ccc(Cl)cc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWQKQSYJSSFCC-IEEBSKRDSA-N", "SMILES:COc1ccc(C(/C=C/c2cccc(OC)c2OC)=N/NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGKIAROBJFHHJ-HLVAAXJRSA-N", "SMILES:COc1ccccc1C(/C=C/c1ccccc1Cl)=N/NC(=O)Cn1c(=O)oc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039527", "category": ["biolink:ChemicalEntity"], "name": "QUISINOSTAT HYDROCHLORIDE", "xref": ["InChIKey:TWNOICNTTFKOHQ-UHFFFAOYSA-N", "SMILES:Cl.Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21"], "synonym": ["JNJ-26481585", "JNJ-26481585-AAC", "Quisinostat hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLWKBFQPPQNENW-UHFFFAOYSA-N", "SMILES:Cl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJMAGUPJCMKQV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(Cc3ccc(C(C)(C)C)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEICXGLBKRSELJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBMPGODWJQWUKB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Cn2cc(-c3cc(O)c(O)c(O)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLQWRXYOTXRDNH-UHFFFAOYSA-N", "SMILES:Nc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYHLQLNALMFAN-UHFFFAOYSA-N", "SMILES:CCSc1ccc(N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNDWPFZDQONDV-UHFFFAOYSA-N", "SMILES:Cc1noc(N)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWZBHVYLVGOAB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1csc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1549420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOINMGFADWPJPC-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSZRRFDVPMZGM-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYNDRQYTFJJMIO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Cn2cc(-c3ccc(O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZQRGPKBNOKIKJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Cn2cc(-c3ccc(O)cc3[N+](=O)[O-])nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKVIWDQHNGWACL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Cn2cc(-c3ccc(O)cc3N)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOWDUJNRROUCDB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(Cc3ccc(C(C)(C)C)cc3)nn2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNQKNFTAUGAKH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(Cc3ccc(C(C)(C)C)cc3)nn2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRGSGVPLHCTPK-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2c(Cl)ncnc21)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIRJKXNTPRPTC-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2c(Cl)ncnc21)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYTCULYYEXFDEZ-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2c(-c3ccccc3)ncnc21)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTZLUDRRVHGLCL-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2c(Cl)nc(Cl)nc21)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMTDZRWADBBMPZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1Cl)n1cnc2c(Cl)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCYWOONFRNWUPP-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(ncn2S(=O)(=O)c2ccccc2Cl)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XREFXUCWSYMIOG-UHFFFAOYSA-N", "SMILES:O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)c1cccnc1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1287854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNKQEVNSGCOJV-HNNXBMFYSA-N", "SMILES:N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2002099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNKQEVNSGCOJV-UHFFFAOYSA-N", "SMILES:N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGIJZWRVCBSGJV-RUZDIDTESA-N", "SMILES:N#CC[C@H](C1CCCC1)n1cc(-c2nc(Nc3ccc(C4CCNCC4)cc3)nc3[nH]ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGIJZWRVCBSGJV-VWLOTQADSA-N", "SMILES:N#CC[C@@H](C1CCCC1)n1cc(-c2nc(Nc3ccc(C4CCNCC4)cc3)nc3[nH]ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGIJZWRVCBSGJV-UHFFFAOYSA-N", "SMILES:N#CCC(C1CCCC1)n1cc(-c2nc(Nc3ccc(C4CCNCC4)cc3)nc3[nH]ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHEPSBKTSMKGQV-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-c2nc(Nc3ccc(C4CCNCC4)cc3)nc3[nH]ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZUDWDBQZJPKOG-UHFFFAOYSA-N", "SMILES:C=CCCn1cc(-c2nc(Nc3ccc(C4CCNCC4)cc3)nc3[nH]ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACTFXTSBNQFCMD-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1ccc(F)c(NS(=O)(=O)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTYYXRVQGLUFN-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cc(F)c(C3CCN(C)CC3)c(F)c2)nc1Nc1ccc(F)c(NS(=O)(=O)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZRCEPYYVFROZ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIDSGDKXNGKZIH-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1ccc2c(c1)N(S(=O)(=O)C(C)(C)C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL67279", "category": ["biolink:ChemicalEntity"], "name": "TALABOSTAT", "xref": ["InChIKey:FKCMADOPPWWGNZ-YUMQZZPRSA-N", "SMILES:CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O"], "synonym": ["Talabostat", "Talabostat", "Valinyl-l-boroproline", "PT-100", "Talabostat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQPQOENOYPKDIN-LMDPOFIKSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CC1=NC3C=CC=CC3C(C)=N1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKYTWLMASLDNBK-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGVYMSFTNIZMA-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1coc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSCEDQTDOQXSS-AWEZNQCLSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1c[nH]c(-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRLDMKRCCWBNMD-HNNXBMFYSA-N", "SMILES:Cn1cc(C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJERLNGAISBIJH-ZDUSSCGKSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1cnc(-c2ccc(Cl)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PONJCFYHFPIYJJ-AWEZNQCLSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1cccc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQKCKUPGCXGHL-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXVITDRTBPKXQR-JTQLQIEISA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKXUDVGCDOVKQ-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDLFTLUQSYBTJQ-LBPRGKRZSA-N", "SMILES:COc1ccc(-c2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMKDRQENSHJMO-SFHVURJKSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(-c2ccc(-c3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRVQMKBDRLVIV-ZDUSSCGKSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(-c2ccc3occc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETKDIGBGDRCMD-ZDUSSCGKSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTKCHMXVNWZDGD-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccccc2Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQWIWSFPZONQA-ZDUSSCGKSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2cccc(Br)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODGOFEKKXPASHL-ZDUSSCGKSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRAXWJMKESEPHA-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccccc2I)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLADMVKMDFATLY-ZDUSSCGKSA-N", "SMILES:COc1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIACSSXDUXVEGP-QFIPXVFZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccccc2-c2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTSUDVSZJDOOJG-NSHDSACASA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAAZUJKETHRPFL-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOHYLGURIBTWKB-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2cc(Cl)ccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHOCVLSWYFAHP-NSHDSACASA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(F)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOZHWRXRWJVMNP-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(F)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPDSSDINQDMAK-AWEZNQCLSA-N", "SMILES:Cc1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBXEQQFDLJIFJ-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRKFSEKNKYVALC-AWEZNQCLSA-N", "SMILES:N#Cc1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVNJKBZDRFUJQ-FQEVSTJZSA-N", "SMILES:N#Cc1ccc(-c2ccc(Cc3nc(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)cs3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCRACKRCKRHQQW-IBGZPJMESA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(-c3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMQPTBIGGCCUBB-ZDUSSCGKSA-N", "SMILES:CSc1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOYJKWVPSWKOPK-LGHQJEIQSA-N", "SMILES:C[S+]([O-])c1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYFNISEEPBUIQ-ZDUSSCGKSA-N", "SMILES:CS(=O)(=O)c1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHEGAZXGGOIPDR-INIZCTEOSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(-n3cccn3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTVCUWWTUPIBEG-HNNXBMFYSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(-n3cncn3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPUGQHXSZXEHQR-ZDUSSCGKSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(CCCc2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDORJWTZVFNEPH-INIZCTEOSA-N", "SMILES:N#Cc1ccc(CCCc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMQHPPOMXTIHI-JTQLQIEISA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(CSc2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWJLEXLSFEDEB-ZDUSSCGKSA-N", "SMILES:Cc1ccc(SCc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWYYINYQGNXKPK-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(SCc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZKOGMKOZUXLIX-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(CSc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLZDDETUMYCFPV-JTQLQIEISA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOCOAPQOYKJKHO-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVMOVDFHPHEHQ-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBTPVUMVMUNDFX-ZDUSSCGKSA-N", "SMILES:Cc1ccc(S(=O)(=O)Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIWWENHLVYLFI-JTQLQIEISA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(COc2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPUEBYYUCOOCE-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(OCc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLGMNWIHGPMMA-NRFANRHFSA-N", "SMILES:CCNc1ccc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3cccs3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQPTSPEQOJDJK-FQEVSTJZSA-N", "SMILES:CNCC[C@H](Oc1cccc(N2CCN(C)c3ncccc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOLCTAVEKPKHAQ-QFIPXVFZSA-N", "SMILES:CCNc1cc2c(cn1)C(=O)N(c1cccc(O[C@@H](CCNC)c3cccs3)c1)CCN2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOIUVGGVHWYLP-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1cccc(N2CCN(C)c3nc(C(F)(F)F)ncc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMKRCWDAUYJRA-HXUWFJFHSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@H](CCNC)c3cccs3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMXFOAGBMDRHS-UHFFFAOYSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1ccc(COC(CCNC)c3ccccc3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFQGYSHWSFIGC-UHFFFAOYSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1cccc(OC(CCN(C)C)c3ccccc3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIONHKEMUXUQB-UFUCKMQHSA-N", "SMILES:CCNc1ncc2c(n1)N1CCC[C@@H]1CN(c1cccc(OC(CCNC)c3ccccc3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIONHKEMUXUQB-XADRRFQNSA-N", "SMILES:CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc(OC(CCNC)c3ccccc3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSGMFCUAWLYRRU-FQEVSTJZSA-N", "SMILES:CNCC[C@H](Oc1cccc(N2CCN(C)c3nc(C)ncc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCGNFTGPXBAEMC-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1cccc(N2CCN(C)c3nc(N(C)C)ncc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRBRSWLNUGPGBK-IBGZPJMESA-N", "SMILES:CNCC[C@H](Oc1cccc(N2CCN(C)c3nc(SC)ncc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGCXTKDCMPNFI-QHCPKHFHSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3ccccc3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQARDIVTQJINDH-UHFFFAOYSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1ccccc1OC(CCNC)c1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQJWHDWPUGTOO-UHFFFAOYSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1cccc(COC(CCNC)c3ccccc3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQUYMHBNNIIFU-IBGZPJMESA-N", "SMILES:CNCC[C@H](Oc1cccc(N2CCN(C)c3ncncc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMZMJUGZDHJCS-UHFFFAOYSA-N", "SMILES:CNc1ncc2c(n1)N(C)CCN(c1cccc(-c3nnc(C)o3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHEAUDGDAOTKCC-UHFFFAOYSA-N", "SMILES:CCNc1ncc2c(n1)N(CC)CCN(c1cccc(-c3nnc(C)o3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWMYUXZLGOTTK-UHFFFAOYSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1cccc(-c3nnc(C)o3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGCXTKDCMPNFI-HSZRJFAPSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@H](CCNC)c3ccccc3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLOXSUFFLVQCV-SFHVURJKSA-N", "SMILES:CNCC[C@H](Oc1cccc(N2CCN(C)c3nc(N)ncc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMKRCWDAUYJRA-FQEVSTJZSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3cccs3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKNXPMVCQJCPY-UHFFFAOYSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1cccc(-c3nnc(C)o3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGXYMHVIWJXJFG-INIZCTEOSA-N", "SMILES:CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc(-c3noc(C)n3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSMFISHCWWFZFJ-NRFANRHFSA-N", "SMILES:CNCC[C@H](Oc1cccc(N2CCN(C)c3nc(C)ccc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOALXNOFBIRPAX-FQEVSTJZSA-N", "SMILES:CNCC[C@H](Oc1cccc(N2CCN(C)c3nc(OC)ccc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVNGVMZAPBUCS-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1cccc(N2CCN(C)c3cccnc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFDCNWPOHFHZDB-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1cccc(N2CCN(C)c3cnccc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNBPLGZOUSBZKX-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1cccc(N2CCN(C)c3ccccc3C2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOZQYEAKFLBWCU-GOSISDBHSA-N", "SMILES:CNCC[C@@H](Oc1cccc(N2CCN(C)CCC2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOZQYEAKFLBWCU-SFHVURJKSA-N", "SMILES:CNCC[C@H](Oc1cccc(N2CCN(C)CCC2=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBQGYUDMJHNJBX-RTBURBONSA-N", "SMILES:CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4748656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYNKWEIZOXVXQN-UHFFFAOYSA-N", "SMILES:CCNc1ncc2c(n1)N(C)CCN(c1ccc(OC(CCNC)c3ccccc3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBHUSLMHZLGRN-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(CNC(=O)C(F)(F)c4ccc(Cl)cc4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGEWDGSDLZRPAR-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Oc2ccc(-c3ccc(C(C)NC(C)=O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWGBBWJTHKXIFA-UHFFFAOYSA-N", "SMILES:COCCc1ccc(Oc2ccc(-c3ccc(C(C)NC(C)=O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGCTLYHJTWVTF-UHFFFAOYSA-N", "SMILES:COCCc1cccc(Oc2ccc(-c3ccc(C(C)NC(C)=O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKFRDNKSGBHSX-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(Oc2ccc(-c3ccc(C(C)NC(C)=O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZHBFAWFZXWMBB-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1ccc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLMYCJOJXKYEKF-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIYLIQKUICBRR-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKYXRWODSYKCOD-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJKKSHAIYVTMB-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKYQKAWURBWRRK-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRJFNGFHZBLVPZ-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZIKEAYWMNRODM-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGMWWXRZWRQCJI-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXGIEFLLPSRDD-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1cnc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZESTZARZVDXMJZ-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)c1ccc(Oc2ccc(Oc3cccc(OCC4CC4)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANTWQGSNXAZMBT-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(-c3c[nH]nc3-c3cccnc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSMTZLAPYRAMHS-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(-c3c(-c4cccnc4)nn4c3COCC4)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXEUDLKIGHWVDD-UHFFFAOYSA-N", "SMILES:c1cncc(-c2nn3c(c2-c2ccnc(Nc4ccc(N5CCOCC5)cc4)n2)COCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYEQWBMBRPHADN-UHFFFAOYSA-N", "SMILES:c1cncc(-c2nn3c(c2-c2ccnc(Nc4ccc(N5CCNCC5)cc4)n2)COCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCSGNUMYNBZDDW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccnc5)nn5c4COCC5)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKBMNHEUPUVEG-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccnc5)nn5c4COCC5)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIRGPFKPDEHGI-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc(Nc3nccc(-c4c(-c5ccccc5)nn5c4COCC5)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBIAZBKCZWSHOM-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc(Nc3nccc(-c4c(-c5ccccn5)nn5c4COCC5)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOUMAGHZYKPZKU-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc(Nc3nccc(-c4c(-c5ccncc5)nn5c4COCC5)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNXFTDGFQBULH-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccnc5)nn5c4CCC5)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTCKKBVCNODAKT-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccnc5)nn5c4CCCC5)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULQVEFHYHHTLW-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nccc(-c3c(-c4cccnc4)nn4c3COCC4)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUWBRTXGQRBBHG-RUXDESIVSA-N", "SMILES:Cn1cc(Nc2nccc(N3CC4CCC(C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CATOAFRPSWLOCV-BBWFWOEESA-N", "SMILES:Cc1cc(Nc2cc3ncccc3c(N[C@H]3CC[C@@H]4C[C@H](C3)N4CCC#N)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDENQIQQYWYTPO-LJQANCHMSA-N", "SMILES:CC#CC(=O)N1CCC[C@@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4238926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DREIJXJRTLTGJC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4762313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHMMWTUEPSERRB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBFZCFKFJJGHW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(-c3cccc(S(N)(=O)=O)c3)o2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRABJYQCLKEVCS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2nnc(-c3cccc(S(N)(=O)=O)c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFIBSBAGSQHBSX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nnc(-c3cccc(S(N)(=O)=O)c3)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILVRGRTYTVVBH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQQAMDWTHCXCRZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCCFQVBZMCOUJN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFBXXSBCRXLBR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOARRIUCGBDLPO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2nnc(-c3cccc(S(N)(=O)=O)c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNSSXSZONBGFAX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2nnc(-c3cccs3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJVPUHJMJVJTOE-CYBMUJFWSA-N", "SMILES:CCCc1cccc2c1CC[C@@H]1CNCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBANSGBBGLJLN-GFCCVEGCSA-N", "SMILES:FC(F)(F)CCc1cccc2c1CC[C@@H]1CNCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNITVWNCNFQVDG-MRVPVSSYSA-N", "SMILES:Clc1ccnc2c1CC[C@@H]1CNCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZQRPGVACSLLRW-LLVKDONJSA-N", "SMILES:c1cc(C2CC2)c2c(n1)N1CCNC[C@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRYOGOFXLRJPN-MRXNPFEDSA-N", "SMILES:c1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLOMTQBPDHCEQU-LLVKDONJSA-N", "SMILES:FC(F)(F)CCc1ccnc2c1CC[C@@H]1CNCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVQTLLBHWRZQL-SNVBAGLBSA-N", "SMILES:c1cnc2c(c1)CC[C@@H]1CNCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZLKBAQARPHLD-SNVBAGLBSA-N", "SMILES:Cc1ccnc2c1CC[C@@H]1CNCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAZGRAYUJBLSIW-GFCCVEGCSA-N", "SMILES:CCCc1ccnc2c1CC[C@@H]1CNCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDUJNEUBVHIQQH-CQSZACIVSA-N", "SMILES:c1cc(CC2CCC2)c2c(n1)N1CCNC[C@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLMKLHRNAKIDD-CYBMUJFWSA-N", "SMILES:CC(C)Cc1ccnc2c1CC[C@@H]1CNCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNPRZRCDYEBIG-LLVKDONJSA-N", "SMILES:COCc1ccnc2c1CC[C@@H]1CNCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPXQHDKDYSGEW-SNVBAGLBSA-N", "SMILES:c1cc2c(cn1)N1CCNC[C@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXNIKAQYHJXKC-GFCCVEGCSA-N", "SMILES:CCCc1cncc2c1CC[C@@H]1CNCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAATRDZIJRTNR-MRXNPFEDSA-N", "SMILES:c1ccc(Cc2cncc3c2CC[C@@H]2CNCCN32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNWDAGZICVGMJ-UXEZOSIOSA-N", "SMILES:CC1(C)Oc2cc(C34CC5CC(CC(C(N)=O)(C5)O3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOSDCAPQULDBRE-PTXBDFQUSA-N", "SMILES:CC1(C)Oc2cc(C34CC5CC(CC(C#N)(C5)O3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNCPNKLDPKQBMU-PTXBDFQUSA-N", "SMILES:CC1(C)Oc2cc(C34CC5CC(CC(CN=[N+]=[N-])(C5)O3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNCMCMOZSHEQRD-YCHRBJSOSA-N", "SMILES:CC1(C)Oc2cc(C34CC5CC(CC(CN=C=S)(C5)O3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRHFUMGZGIQUIB-WQMDITGMSA-N", "SMILES:CC1(C)Oc2cc(C34CC5CC(CC(C(N)=O)(C5)O3)C4)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CULSUFZRKNZQEZ-CBPWPPFMSA-N", "SMILES:CC1(C)Oc2cc(C34CC5CC(CC(CN=[N+]=[N-])(C5)O3)C4)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFPKBCMVJQAOF-KHCUROFVSA-N", "SMILES:CC1(C)Oc2cc(C34CC5CC(CC(CN=C=S)(C5)O3)C4)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSYYRWXQKANXFE-XUIWWLCJSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)/C(Cc1ccc(O)c(Br)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYEKBBJMDAUIRZ-FQHZWJPGSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccccc1)=N/O)/C(Cc1ccccc1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGAFLBENYDRDD-HCTXVGCHSA-N", "SMILES:CCOc1ccc(C/C(=N\\O)C(=O)NCC[Se][Se]CCNC(=O)/C(Cc2ccc(OCC)cc2)=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRIKPBKCWLMTLV-CFTRLRGZSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(OCc2ccccc2)cc1)=N/O)/C(Cc1ccc(OCc2ccccc2)cc1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTQEJUWEVVMKR-FQHZWJPGSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc([N+](=O)[O-])cc1)=N/O)/C(Cc1ccc([N+](=O)[O-])cc1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBXIAWUXJAUZGT-BCEWYCLDSA-N", "SMILES:CC(C)(C)c1ccc(C/C(=N\\O)C(=O)NCC[Se][Se]CCNC(=O)/C(Cc2ccc(C(C)(C)C)cc2)=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXWUHJKIYOGGZ-XUIWWLCJSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(O)c(Cl)c1)=N/O)/C(Cc1ccc(O)c(Cl)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTIJFVFEJFAHFC-XUIWWLCJSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(O)c(F)c1)=N/O)/C(Cc1ccc(O)c(F)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCLONUAIARVCW-MKYUKRCKSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(F)cc1)=N/O)/C(Cc1ccc(F)cc1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYTVDYOCVCMAL-CZYCKNNWSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(F)c(F)c1)=N/O)/C(Cc1ccc(F)c(F)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRARVWCPGQKCD-MKYUKRCKSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(Cl)cc1)=N/O)/C(Cc1ccc(Cl)cc1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOZJZKDEJWKCG-CZYCKNNWSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(Cl)c(Cl)c1)=N/O)/C(Cc1ccc(Cl)c(Cl)c1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJJIMGBWOWCPZ-MKYUKRCKSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(Br)cc1)=N/O)/C(Cc1ccc(Br)cc1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRXJFQZLLOIDY-UHFFFAOYSA-N", "SMILES:O=c1cc(CSc2nc3ccccc3c(=O)n2-c2ccccn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBGQRQZUEFEVJO-UHFFFAOYSA-N", "SMILES:O=c1cc(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXXHKWNERKHQF-ZDLGFXPLSA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\OC(=O)c3cc(OC)c(OC)cc32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXXHKWNERKHQF-VCHYOVAHSA-N", "SMILES:CCN(CC)c1ccc(/C=C2/OC(=O)c3cc(OC)c(OC)cc32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBDDXVETRRCNY-ZDLGFXPLSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/c1ccc(N3CCCC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBDDXVETRRCNY-VCHYOVAHSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C\\c1ccc(N3CCCC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLXUQJNJIZNLT-ODLFYWEKSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/c1ccc(N3CCCCC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLXUQJNJIZNLT-YBFXNURJSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C\\c1ccc(N3CCCCC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEADOSMRZRXTEB-ZDLGFXPLSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/c1ccc(N3CCOCC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEADOSMRZRXTEB-VCHYOVAHSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C\\c1ccc(N3CCOCC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZQLQXXBOLTHX-YBFXNURJSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C\\c1ccc(N3CCN(C)CC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFZOVLLTRUBYGB-YVLHZVERSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/c1cccc(O)c1N1CCCC1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFZOVLLTRUBYGB-LICLKQGHSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C\\c1cccc(O)c1N1CCCC1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSNJSBVCWFHMF-WOJGMQOQSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C\\c1cccc(O)c1N1CCN(C)CC1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKSBGUEGQBVKO-ZDLGFXPLSA-N", "SMILES:CCN(CC)c1cc(/C=C2\\OC(=O)c3cc(OC)c(OC)cc32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKSBGUEGQBVKO-VCHYOVAHSA-N", "SMILES:CCN(CC)c1cc(/C=C2/OC(=O)c3cc(OC)c(OC)cc32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZNQKMCQCNIQD-ODLFYWEKSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/c1ccc(O)c(N3CCCCC3)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZNQKMCQCNIQD-YBFXNURJSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C\\c1ccc(O)c(N3CCCCC3)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIIHNACZVMZAST-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(CC2OC(=O)c3cc(OC)c(OC)cc32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBDNCESAKLSSOK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1ccc(N3CCCC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQVHKCSUCNUMA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1ccc(N3CCCCC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTWMPVMOMQYFZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1ccc(N3CCOCC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZQLQXXBOLTHX-ODLFYWEKSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/c1ccc(N3CCN(C)CC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWUDYDJEJJAYLO-LICLKQGHSA-N", "SMILES:CCN(CC)c1c(O)cccc1/C=C1/OC(=O)c2cc(OC)c(OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGAWXWHSMKKHI-WQRHYEAKSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/c1cccc(O)c1N1CCCCC1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGAWXWHSMKKHI-WOJGMQOQSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C\\c1cccc(O)c1N1CCCCC1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCVYYWHTZADEC-LICLKQGHSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C\\c1cccc(O)c1N1CCOCC1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDKBSMQZCNQHN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1ccc(N3CCN(C)CC3)c(O)c1)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWUDYDJEJJAYLO-YVLHZVERSA-N", "SMILES:CCN(CC)c1c(O)cccc1/C=C1\\OC(=O)c2cc(OC)c(OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDVCOWGIPMODEC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCN2c1nc(C)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL516047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUEOFWOYVUMCKC-UHFFFAOYSA-N", "SMILES:CSc1ccc(N(C)c2nc(C)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUTXHLBPVZZHN-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(N(C)c3nc(C)nc4ccccc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEDOFSFNFEZFX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCN2c1ncnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPVUQSDDVFBPO-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGUNGDUBFAZJF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCN2c1nc(Cl)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGKWMZHAGPMDO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(F)(F)F)c(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXXVJHURHIMOT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(F)(F)F)c(-c3cn(C4COC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDKRPGSLADIGBE-UHFFFAOYSA-N", "SMILES:C=CCn1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N(C)CCN(C)C)cc3OC)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVKIJHIAPURYHP-UHFFFAOYSA-N", "SMILES:C#CCn1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N(C)CCN(C)C)cc3OC)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHHVWQFUJGINB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CCO)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMFINHKLSUJLY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(S(=O)(=O)N(C)C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UINJKEAZXPNBKX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C(C)=O)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMWSARDRXHJRH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C4COC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFOWCJQGZXQJS-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(NC(=O)Nc2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPQUKDOJAFTDQI-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIVIEHQBBDGMGP-NYYWCZLTSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRHDKAIPUIUHG-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAOXBIBBQOTRY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAHVCKUODLXWOI-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSLWNSSUMFSGFF-IFSNGKJOSA-N", "SMILES:C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL504404", "category": ["biolink:ChemicalEntity"], "name": "PHYSALIN B", "xref": ["InChIKey:HVTFEHJSUSPQBK-DNJDGUCCSA-N", "SMILES:C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@@]32[C@H]5C6=O)C(=O)O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHMKUKNYYOHYNP-UHFFFAOYSA-N", "SMILES:CN(C)Cc1nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHJKVSLHPQFAQK-UHFFFAOYSA-N", "SMILES:CN(C)Cc1nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N(C)C)n3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCKKFYWNFKXOIH-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2nc3ccc(Nc4ncc(Cl)c(Nc5ccccc5NS(C)(=O)=O)n4)cc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKGLUQRAFDCRLL-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2nc3ccc(Nc4ncc(Cl)c(Nc5ccccc5C(=O)N(C)C)n4)cc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFZOBVPJLNOME-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEVQSAOHYKUTI-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc3nc(CN4CCCC4)[nH]c3c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWUFUZJYLBZQF-LBPRGKRZSA-N", "SMILES:Nc1nc2sc(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBZUTNKUVNMNN-INIZCTEOSA-N", "SMILES:Nc1nc2sc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFTGJDSAOAUHRL-ZDUSSCGKSA-N", "SMILES:Nc1nc2sc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDGQYDYRQVOBF-ZDUSSCGKSA-N", "SMILES:Nc1nc2sc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)o3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNJYHGDMDELAI-LBPRGKRZSA-N", "SMILES:Nc1nc2sc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNFVXICXLFWABV-ZDUSSCGKSA-N", "SMILES:Nc1nc2sc(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVAKXKCGSGJIG-AWEZNQCLSA-N", "SMILES:Nc1nc2sc(CCCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDIEQMDPONVCD-ZDUSSCGKSA-N", "SMILES:Nc1nc2sc(CCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHWBLRPRFHOCI-DTQAZKPQSA-N", "SMILES:Cc1ccc(Nc2nc(/C=C/c3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPDYBCWUMJJDC-LFIBNONCSA-N", "SMILES:COc1ccc(Nc2nc(/C=C/c3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQWEFLWEHZGJQ-JLHYYAGUSA-N", "SMILES:Fc1ccc(Nc2nc(/C=C/c3ccccc3)nc3ccccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOURGRJVUDVFPZ-XNTDXEJSSA-N", "SMILES:Nc1ccc(Oc2nc(/C=C/c3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPLDGOGPYJGUFZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(Cl)nc3cc(-c4cccs4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFSHMRLQNEOMD-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Cl)nc3cc(-c4cccs4)ccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZCPHNZTMZSPX-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(N3CCOCC3)nc3cc(-c4cccs4)ccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRQHHHIKHZJFK-NTEUORMPSA-N", "SMILES:Cc1ccc(Nc2nc(/C=C/c3ccccc3)nc3cc(Br)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COMIVWVCGWTZMY-IZZDOVSWSA-N", "SMILES:Fc1ccc(Nc2nc(/C=C/c3ccccc3)nc3cc(Br)ccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZWRLBNTLUTMTM-LFIBNONCSA-N", "SMILES:Cc1ccc(Nc2nc(/C=C/c3ccccc3)nc3cc(-c4cccs4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYRKGXAEURPTHL-UKTHLTGXSA-N", "SMILES:Fc1ccc(CNc2nc(/C=C/c3ccccc3)nc3cc(-c4cccs4)ccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26915", "category": ["biolink:ChemicalEntity"], "name": "SC-560", "xref": ["InChIKey:PQUGCKBLVKJMNT-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTSIBUQMRRYIU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4799590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIDKHOGSPPENT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOBUTKZRNZNMKB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccsc1)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMIVNNGDPOPMN-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVPCJXSMGVZNMK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYTQUSRTIXNKCG-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPXDQVIUNUDHC-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQHNTQDUGHPCMR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTYBCXVLXNGYMN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOALVUSTUPCPO-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTQVWBZQPVLATM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1O)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL173898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKLJFJEQRYRQT-APGJSSKUSA-N", "SMILES:CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3598140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DANLZOIRUUHIIX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGEONJPJJNFHOI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVQMUUABALKSF-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLVYPWUVLNREA-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQYRZCSIXTGCN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYPWYBRUITUCZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFPMJGHIACIVOS-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFKNCPWHSGJPIO-UHFFFAOYSA-N", "SMILES:C=CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNKHLNFCWPFLM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTYWHPBLLIODL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRQZCHUUNJVPB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQFZADSTVFSHDX-UHFFFAOYSA-N", "SMILES:O=c1[nH]ncc(N2CCc3c(ncnc3Oc3ccc(F)cc3C(F)(F)F)C2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIQWIYEKODANH-UHFFFAOYSA-N", "SMILES:O=c1[nH]ncc(N2CCc3c(ncnc3Oc3ccc(F)cc3Cl)C2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAAVXHCBMFIHTB-UHFFFAOYSA-N", "SMILES:O=c1[nH]ncc(N2CCc3c(ncnc3Oc3ccccc3C(F)(F)F)C2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQNOZJAVUWWJH-UHFFFAOYSA-N", "SMILES:CCc1c(F)cccc1Oc1ncnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLQJRUVWZVKQZ-UHFFFAOYSA-N", "SMILES:CN(c1cnccc1C(F)(F)F)c1ncnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZRQJWKYBJTRGG-UHFFFAOYSA-N", "SMILES:O=c1[nH]ncc(N2CCc3c(ncnc3N(CCO)c3ccc(F)cc3C(F)(F)F)C2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTPMEHEZQCZME-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWBXRFRHHGVRKE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cc2)CC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOAYWPJOUNGLV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPQWKCILAAPREP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC2CC1CN2c1ccc(CNc2ccc(OCc3ccc(C(F)F)nc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWMVADBMYDEAIS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIDSFTASNOQJJY-UHFFFAOYSA-N", "SMILES:FC(F)c1ccc(COc2ccc(NCc3ccc(N4CCN(C5COC5)CC4)cc3)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPKGIYJABSMIPH-UHFFFAOYSA-N", "SMILES:Clc1cc2cnn(-c3cnn(C4CCC4)c3)c2cc1C1CCN(C2COC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWVIHDYFDGXET-UHFFFAOYSA-N", "SMILES:CCn1cc(-n2ncc3cc(Cl)c(C4CCN(C5(C)COC5)CC4)cc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWHZEPRJALPQQT-UHFFFAOYSA-N", "SMILES:CC1(N2CCC(c3cc4c(cnn4-c4cnn(C56CC(C#N)(C5)C6)c4)cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTCZGGNAWDYGIG-UHFFFAOYSA-N", "SMILES:CC1(N2CCC(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQPSJOUIIJWLOZ-UHFFFAOYSA-N", "SMILES:CC1(N2CCC(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3C#N)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZGCDXBWMHYSNH-UHFFFAOYSA-N", "SMILES:Cn1cc(-n2ncc3cc(Cl)c(C4CCN(C5(C)CCOC5)CC4)cc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNBBVBQRJHREH-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESFRHLQJQIBRC-UHFFFAOYSA-N", "SMILES:Cc1cn2nc(-c3cc(F)c4nc(OC5CCN(C)CC5)sc4c3)cc(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZKNIWTWBZQSS-UHFFFAOYSA-N", "SMILES:Oc1cc(-c2cn[nH]c2)ccc1-c1cc2sc(N3CCC34CCNCC4)nc2nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTEMHHNMZSTESX-UHFFFAOYSA-N", "SMILES:CN(c1nc2nnc(-c3ccc(-c4cn[nH]c4)cc3O)cc2s1)C1CCN(C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYSQRYBHBQXBU-UHFFFAOYSA-N", "SMILES:CN1CC2(C1)CN(c1nc3nnc(-c4ccc(-c5c[nH]nc5F)cc4O)cc3s1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUHVKLYQJXFKO-UHFFFAOYSA-N", "SMILES:CN(c1nc2nnc(-c3ccc(-c4c[nH]nc4F)cc3O)cc2s1)C1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXVFUQUYAYWCMO-UHFFFAOYSA-N", "SMILES:CC(C)(F)CCCNc1ncc(C(N)=O)c(NC2(CO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWGUBFQVDHJOHE-GFCCVEGCSA-N", "SMILES:CC(C)(F)CCCNc1ncc(C(N)=O)c(N[C@H](CO)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWGUBFQVDHJOHE-LBPRGKRZSA-N", "SMILES:CC(C)(F)CCCNc1ncc(C(N)=O)c(N[C@@H](CO)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHMJOUIAFHJHBW-QZABAPFNSA-N", "SMILES:N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1162001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDHILKWIRSIHB-QZABAPFNSA-N", "SMILES:N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)O)O[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL240524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRNDRQMDRJTHS-RTRLPJTCSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL234432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSWZFWKMSRAUBD-QZABAPFNSA-N", "SMILES:N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4779479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBFOFSFPSKTRS-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(C(=O)N2CCCC2)n1"]}
{"name": "Serine/threonine-protein kinase 32A", "xref": ["CHEMBL.TARGET:CHEMBL6150"], "id": "UniProtKB:Q8WU08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTCXCSWNNQIPRO-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(C(=O)N2Cc3ccc(C(N)=O)cc3C2)n1"]}
{"name": "Calcium-dependent protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL1908387"], "id": "UniProtKB:P62344", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLWXEYAPCSSQM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn(-c2ccc(-n3ccc(Cl)cc3=O)cc2)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMCJIISMAHQTL-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)cc3=O)cc2)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTDUAAMBQLCQSR-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cc2)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZHGONNSASQOAY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn(-c2ccc(NC(=O)C(Cl)=C(Cl)Cl)cc2)c1C(F)(F)F"]}
{"name": "Short transient receptor potential channel 3", "xref": ["CHEMBL.TARGET:CHEMBL4739706"], "id": "UniProtKB:Q9QZC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFSLHKNGLMRBTO-ZETCQYMHSA-N", "SMILES:C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(C(F)(F)F)c2)no1"]}
{"name": "Potassium channel subfamily T member 1", "xref": ["CHEMBL.TARGET:CHEMBL4739694"], "id": "UniProtKB:Q6ZPR4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLINQEGUIZAEPS-LBPRGKRZSA-N", "SMILES:Cc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C4CC4)nn3C)n2)c1"]}
{"name": "Potassium channel subfamily T member 1", "xref": ["CHEMBL.TARGET:CHEMBL4739688"], "id": "UniProtKB:Q5JUK3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLINQEGUIZAEPS-GFCCVEGCSA-N", "SMILES:Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C4CC4)nn3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWRZHDNJRKVPLF-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVPXPTYBYDJKE-LBPRGKRZSA-N", "SMILES:CCc1cc(C(=O)N[C@@H](C)c2nc(-c3cccc(C)c3)no2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWKQBXQTCRMGP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2cc(C(C)NC(=O)c3cc(C(F)(F)F)nn3C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAGNKCLGXSKFRO-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(C(C)NC(=O)c3cc(C(F)(F)F)nn3C)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOIVCPNZJBGREF-QMMMGPOBSA-N", "SMILES:C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZPPZRHHZMMAJV-VIFPVBQESA-N", "SMILES:C[C@@H](c1nc(-c2cccc(F)c2)no1)N(C)C(=O)c1cc(C(F)(F)F)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJULTZIMPIBRAP-VIFPVBQESA-N", "SMILES:Cc1cncc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZULRUPFUNYHE-VIFPVBQESA-N", "SMILES:Cc1ccnc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOIIFBPFECVQDT-VIFPVBQESA-N", "SMILES:Cc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCUWTVCFFBKGKP-QMMMGPOBSA-N", "SMILES:C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccncc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWTJRTKLSNQIEC-QMMMGPOBSA-N", "SMILES:C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccnc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQFSXQGGIHHGFL-QMMMGPOBSA-N", "SMILES:Cc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIKNBUXSTGVFGU-ZETCQYMHSA-N", "SMILES:C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cnn(C)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBUQPGAOVFRJMM-QMMMGPOBSA-N", "SMILES:COc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WESLWOJSONYCNB-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(N3CCCC3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBRNFRTWGIPRGR-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(N(C)C)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNCOASIFPBUQHN-VIFPVBQESA-N", "SMILES:COc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYONYGNTNUHVRS-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(C3CC3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGWZRBVBCYMDHA-VIFPVBQESA-N", "SMILES:COCc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCURJTIQCCBRFF-ZETCQYMHSA-N", "SMILES:C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(C(F)F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQXHMNDHFOTAFZ-QMMMGPOBSA-N", "SMILES:CNc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWCOTUMYXFMIV-JTQLQIEISA-N", "SMILES:COC(C)(C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXRZMLQJILMDA-UWVGGRQHSA-N", "SMILES:CO[C@@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXRZMLQJILMDA-VHSXEESVSA-N", "SMILES:CO[C@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQZGVJJKGYFSH-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2noc(CCC(=O)NC(C)c3ccc4c(c3)CCC4)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLINQEGUIZAEPS-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2noc(C(C)NC(=O)c3cc(C4CC4)nn3C)n2)c1"]}
{"name": "Potassium channel subfamily T member 1", "xref": ["CHEMBL.TARGET:CHEMBL4739708"], "id": "UniProtKB:Q9Z258", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Potassium channel subfamily T member 2", "xref": ["CHEMBL.TARGET:CHEMBL4739693"], "id": "UniProtKB:Q6UVM3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYJSGXJLVUKJFK-WHPLNWIKSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZDQPMFAAFPBG-OZSQJXLDSA-N", "SMILES:C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLCZXUTHCQKJD-GSYUSEBWSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)C(=O)N[C@@H](CCCCNC(=O)CCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXCEKHMYMMWNC-MOFVWYDTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)C(=O)N[C@@H](CCCCNC(=O)CCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWFPPYTXPCGSDO-DGZKLILISA-N", "SMILES:CN(CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(N)=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQNWPCNKHWCNDC-VDAHDZBTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXTYYEVDADXYOK-KAJCJZIWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWTNRDYXFCICJP-OWLZYXPVSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)C(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNNATRFLLVWJC-BDINVFMXSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUZPGTDFKFJSSO-RCNZOEMDSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDWWYPYEKXCGI-JBEDQLETSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)CCc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRAKENJVZHHKSP-CTGJKOTQSA-N", "SMILES:CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)[C@@H](C)O)[C@@H](C)O"]}
{"name": "NAD-dependent protein lipoamidase sirtuin-4, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2163185"], "id": "UniProtKB:Q9Y6E7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHMEPRMQDZOGD-BQFCYCMXSA-N", "SMILES:CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2cncnc2)C=C1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4785949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCSXRQGKLTRAC-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1cccc(C)c1Nc1ncc(OCc2c(Cl)c(OC)cc(OC)c2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHIQYJMJPLYCG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NC(=O)CCl)nc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFOOLKMDLORHG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NC(=O)C3CO3)nc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLPJXHTSUIFNY-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)Nc1cccc(C)c1Nc1ncc(OCc2c(Cl)c(OC)cc(OC)c2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOHIKBITJWWHQQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NCC=O)nc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSJULDPKANDWOC-URXFXBBRSA-N", "SMILES:Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODDGZLPEQSMHJ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCO1)c1cc(Cc2ccc(Br)cc2)c2cccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFCBFQBFMHWIAK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nn4cccc34)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTBMPMAVUMHQO-RCZVLFRGSA-N", "SMILES:O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cc2ccc(-c3cccnc3)cc2)c2cccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFKKQNUBDNGYOP-RCZVLFRGSA-N", "SMILES:O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cc2ccc(-c3ccncc3)cc2)c2cccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWAVBTLKFYOIOV-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNC(=O)c1cc(Cc2ccc(-c3ccncc3)cc2)c2cccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLICFFAFAQXLCJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cc3cc(C(=O)NCC4CCCO4)nn4cccc34)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXSQBLCJZCBFAX-URXFXBBRSA-N", "SMILES:O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-c3ccnc(Cl)c3)cc2)c2cccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLWBTCDSITWLMT-OZXSUGGESA-N", "SMILES:N#Cc1cncc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQURUJDVOWEJGX-OZXSUGGESA-N", "SMILES:Cc1cccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBSXPLTLBQOGI-DHLKQENFSA-N", "SMILES:NC(=O)c1cncc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQURUJDVOWEJGX-ZEQKJWHPSA-N", "SMILES:Cc1cccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nn4cccc34)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDUDVHNQZFTKL-RCZVLFRGSA-N", "SMILES:COc1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nn4cccc34)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHDWMGWFBLQEU-RCZVLFRGSA-N", "SMILES:O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cc2ccc(-c3ccc(F)cn3)cc2)c2cccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDAYJIMKXTWFLB-MRXNPFEDSA-N", "SMILES:Cn1cc2c(Cl)c(-c3n[nH]c4nc(N5CCC6(CC5)CC(F)(F)C[C@H]6N)c(CO)nc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEGSDZGLPYHVHE-JEOXALJRSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3nc4[nH]nc(-c5ccc6nn(C)c(Cl)c6c5Cl)c4nc3CO)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXNTIIBCBVMBL-CQSZACIVSA-N", "SMILES:Cn1nc2ccc(-c3n[nH]c4nc(N5CCC6(CC5)CC(F)(F)C[C@H]6N)c(CO)nc34)c(Cl)c2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABUDRRKXHBONTL-IAQYHMDHSA-N", "SMILES:Cn1nc2ccc(-c3n[nH]c4nc(N5CCC6(CC5)C[C@H](F)C[C@H]6N)c(CO)nc34)c(Cl)c2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKDQTSRVNHSYCU-LAJNKCICSA-N", "SMILES:COc1cnc2ccc(-c3n[nH]c4nc(N5CCC6(CC5)CO[C@@H](C)[C@H]6N)c(CO)nc34)c(Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSRRXHJYUMQYHM-BBATYDOGSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3nc4[nH]nc(-c5cccc(Cl)c5F)c4nc3CO)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVSZERUDCKTME-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)c1"]}
{"name": "Kinesin-like protein KIF18A", "xref": ["CHEMBL.TARGET:CHEMBL4523403"], "id": "UniProtKB:Q8NI77", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISWYZMBRVMXXND-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTYNSXJARXMJJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(N2CCC(F)(F)CC2)c1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMMMOPLSXZPLK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(N2CCC(F)(F)CC2)c1F)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYJWAPZYJNPGV-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDHEVNDEOQBKK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2)c1cccc(N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVKFMYKSLIELC-UHFFFAOYSA-N", "SMILES:Cc1cncc2sc(NC(=O)C3CC3c3cc(C(=O)NCc4ncccn4)cs3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLAOJRRWUJJHK-JKSUJKDBSA-N", "SMILES:O=C(Nc1nc2ccncc2s1)[C@@H]1C[C@H]1c1ccc(S(=O)(=O)Nc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBDDMLHLHUWMJA-RBUKOAKNSA-N", "SMILES:O=C(Nc1ccc2cnccc2n1)[C@@H]1C[C@H]1c1ccc(S(=O)(=O)Nc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VICDKHWHUMCAHR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cnccc2n1)C1CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMDQQOPBFHMQDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccncc2s1)C1CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBFXIDBSJPZHK-LSDHHAIUSA-N", "SMILES:Cc1cncc2sc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1545", "category": ["biolink:ChemicalEntity"], "name": "TIZOXANIDE", "xref": ["InChIKey:FDTZUTSGGSRHQF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O"], "synonym": ["Desacetyl-nitazoxanide", "Nitazoxanide related compound b", "Tizoxanide", "NSC-697856"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICDCVRJWUJSYAX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKOYFHJKQDWSY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDZDDFMFSQEFRO-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIQZXITUSYTIM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHLHSMVVVDVVLT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCGJKNZQDBZFT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQBQEBBKGPVUCQ-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUEYTGPGMOVNJK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVCUCBRQWKTIQP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1923234", "category": ["biolink:ChemicalEntity"], "name": "WP 1066", "xref": ["InChIKey:VFUAJMPDXIRPKO-LQELWAHVSA-N", "SMILES:C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1"], "synonym": ["Wp 1066", "Wp1066", "WP-1066"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4754633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNFTTCAYVVJHN-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC23CC4CC(CC(C4)C2)C3)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBKPKNSZAPMRN-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)OCCOCCOCCOC23CC4CC(CC(C4)C2)C3)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMSKKQZBLKZSAL-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATUMDZMJVBJMOV-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFVKVAKVCDPVQT-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NCCNC(=O)CC23CC4CC(CC(C4)C2)C3)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHSWWGFLLWIDIW-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXXJJDWXABYTOH-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)OCCOCCOCCOCCOC23CC4CC(CC(C4)C2)C3)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLMRECWLBVNYQL-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)OCCOCCOC23CC4CC(CC(C4)C2)C3)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLNSJDGPVIVNCE-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NCCCCCCNC(=O)OC(C)(C)C)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUQIGPHQDSTST-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnn3cc(OC)c(C)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAMFYDOBYQPJCQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnn3cc(OC)c(N(C)C)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPBWFKAIPEQLO-UHFFFAOYSA-N", "SMILES:COc1cnc2c(-c3ccnc(OC)c3)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNMAIKMKRLUIV-UHFFFAOYSA-N", "SMILES:CNc1nc2c(-c3ccnc(OC)c3)cnn2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHVGCXGMWBBJX-UHFFFAOYSA-N", "SMILES:CNc1nc2c(-c3ccnc(OC)c3)cnn2cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOBMSIEJTZRFX-UHFFFAOYSA-N", "SMILES:CCc1cn2ncc(-c3ccnc(OC)c3)c2nc1NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSONRVSMVKMRMP-UHFFFAOYSA-N", "SMILES:C=Cc1cn2ncc(-c3ccnc(OC)c3)c2nc1NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFPBQDHLDQGUHW-UHFFFAOYSA-N", "SMILES:CNc1nc2c(-c3ccnc(OC)c3)cnn2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLOKFNZTYDSKBX-UHFFFAOYSA-N", "SMILES:CNc1ccn2ncc(-c3ccnc(OC)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCYAMJZCUOTFJ-UHFFFAOYSA-N", "SMILES:CNc1ccn2ncc(-c3cccc(OC)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWGOPOBEHTGBB-UHFFFAOYSA-N", "SMILES:c1cc2cc(c1)-c1cnn3ccc(nc13)NCCOCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSISYMUPRYGFO-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)Nc2snc(OCc3cccnc3)c2C(N)=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CATARNNGBNYRJP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(N)c(C(=O)NC3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBQRDQOHCIWKGC-UHFFFAOYSA-N", "SMILES:CCc1nc2c(-c3ccnc(OC)c3)cnn2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKLKVLCDNDXBBZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnn3cc(OC)c(C(C)C)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDYKQJFYRRWDPD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnn3cc(OC)c(C(C)(C)O)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBRTIWIRRKSOD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnn3cc(OC)c(C4CCCC4)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQYDTGFBULFRY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnn3cc(OC)c(C4CCOC4)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PETJVBHONPBYQW-CYBMUJFWSA-N", "SMILES:COc1cc(-c2cnn3cc(OC)c([C@H]4COC(C)(C)C4)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PETJVBHONPBYQW-ZDUSSCGKSA-N", "SMILES:COc1cc(-c2cnn3cc(OC)c([C@@H]4COC(C)(C)C4)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQWLWLRZBQNAJL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnn3cc(OC)c(-c4cc(C)no4)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYRHBGHTRQBCA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnn3cc(OC)c(-c4cnn(C)c4)nc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIIRAICDHPHBO-UHFFFAOYSA-N", "SMILES:COc1cn2ncc(-c3ccnc(OC(C)C)c3)c2nc1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHQCQQLLQAFGA-UHFFFAOYSA-N", "SMILES:COc1cn2ncc(-c3ccnc(OC(C)(C)C)c3)c2nc1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLKGORPFYLDEK-UHFFFAOYSA-N", "SMILES:COc1cn2ncc(-c3ccnc(OC4CC4)c3)c2nc1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OORSHIMWGADFIS-UHFFFAOYSA-N", "SMILES:COc1cn2ncc(-c3ccnc(OC4CCC4)c3)c2nc1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHKDJPQTITGJF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccnc(OC5CC5)c4)cnn3cc2OCC(C)(C)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPXQGLYUMYUHHN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccnc(OC5CC5)c4)cnn3cc2OCCC(C)(C)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUNSPWUHJGDOO-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccnc(OC5CC5)c4)cnn3cc2OCCCC(C)(C)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSEGOHMKRVRWOE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIGKRZFCISWOV-AYOQOUSVSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJNFEGERSIBAW-VOQZNFBZSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHQZDYZPOGPICW-XOKHGSTOSA-N", "SMILES:C=C1[C@H](C)CC[C@@H](C(C)C)[C@@H]1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387742", "category": ["biolink:ChemicalEntity"], "name": "CANNABIDIVARIN", "xref": ["InChIKey:REOZWEGFPHTFEI-JKSUJKDBSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O"], "synonym": ["Cannabidivarin", "Cannabidivarol", "Gwp-42006", "CBD-V", "CBDV", "GWP42006"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERFSNRPSMKJCV-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJFYBJXZUVECB-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4775998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACBILLVSLDUPV-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2cc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMIOKRDFVUBFGH-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2c(=O)n(C)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKJDPJZMVMETE-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)NCCCC(C)(C)C)cc1-c1ccc2c(=O)n(C)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPPSQOOISWCRJ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-c1ccc2c(=O)n(C)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXCTZLXYGLXXRY-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-c1cnc2c(=O)n(C)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYZKFVIVPRQRQQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBAICMYWONZOSZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(OC)nn2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3357103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLSSYMPYWALGH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWCNJZKCFQJKN-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccco2)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGUDCFNKNHZUIY-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccco2)nn1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCCFYIUYTAJWFD-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccco2)nn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLZZRIPYAFNCRW-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(-c3ccco3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHAYIIJKMHVSRS-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-n2nc(-c3ccco3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKSMHQOFVJHOW-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccco2)nn1-c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKYRQRCQUDZFGL-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2nc(-c3ccco3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWYATBUXLGWSNP-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1cc(-c2ccco2)nn1-c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLTXARCQIUWLCF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2nc(-c3ccco3)cc2-n2cc(CNc3ccc([N+](=O)[O-])c4nonc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSKLWHSTAUOABL-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUIQQVRNSGIBT-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccccc2)nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJNXJEAIZGYIIW-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccccc2)nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQWRSCHPPDJXLC-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORPOSMNKUXLSG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQIIVYOAOLYJSB-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMDQFVFDWAYBOU-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPQXUQHQLUWLR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQLXPOZIXPXNJJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2cccc3ccccc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZJWUJYTVZDYAZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Oc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSVZSZVSZTYTCC-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Oc2ccc(O)c(C(C)(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWZEYPYWCKTDS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXFNBOZJKXCNC-ZJSXRUAMSA-N", "SMILES:O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZUVTKBHDNIOHD-MIZPHKNDSA-N", "SMILES:CC(C)(O)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHISCDXGJDADQ-FYYLOGMGSA-N", "SMILES:O=C(C1CCS(=O)(=O)CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)nc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILNOJESQIBYYJI-NIRIFSCTSA-N", "SMILES:N#CCCN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)nc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOBOIRTGNHJNP-FYYLOGMGSA-N", "SMILES:O=C(C1CCS(=O)(=O)CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3cnc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHWBNSJXLYXNSH-NIRIFSCTSA-N", "SMILES:N#CCCN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3cnc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVYILNGFSBBMR-OFNKIYASSA-N", "SMILES:O=C(C1CCS(=O)(=O)CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ncc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAASMHMDWXOTPL-BKSPAHHJSA-N", "SMILES:N#CCCN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ncc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYXXEYJECOAQK-ISKFKSNPSA-N", "SMILES:O=C(C1CCS(=O)(=O)CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDWLXGEQFTMIY-PPJWLVRDSA-N", "SMILES:N#CCCN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMFWGZXIWGMBRF-REDKUUPNSA-N", "SMILES:CC(C)(O)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)nc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGPNNQWYDHRLHD-QUZZAMIASA-N", "SMILES:CC(C)(O)CC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)nc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSIGTGMTNTUGTL-VNZMSGEBSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)nc3CC[C@@H]12)C1CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABWRUZQNZVGUGR-IHJXWSBQSA-N", "SMILES:C[C@](O)(CS(C)(=O)=O)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)nc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABWRUZQNZVGUGR-SYMSJMEQSA-N", "SMILES:C[C@@](O)(CS(C)(=O)=O)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)nc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKFSOMQAYWOLS-YZUZCNPQSA-N", "SMILES:CC(C)(O)CC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOWXSUDJJEUCC-JBRSBNLGSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHNKLOUNODTJW-SGKWCMOWSA-N", "SMILES:C[C@](O)(CS(C)(=O)=O)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHNKLOUNODTJW-XWVZOOPGSA-N", "SMILES:C[C@@](O)(CS(C)(=O)=O)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAIRJYKCPPEBIW-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)C(c3ccccc3)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYFXQMZMYIFFKC-UHFFFAOYSA-N", "SMILES:COCCS(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)C(c3ccccc3)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDGAPSJJNQFKEV-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCS(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)C(c3ccccc3)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULOZITGKQPTPQD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC2=NC(=O)C(c3ccccc3)N2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKZVWFJKEKXZJP-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)CN2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGDCZUAPSONWSZ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)C(c3ccc(Cl)cc3)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRVRWQEKZSMSZ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)C(c3cccc(Cl)c3)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITZTYLQOWUYFG-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)C(c3ccccc3Cl)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIPWDWVAJAFUJV-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)C(c3ccc(F)cc3)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRIZVKVPRBXJV-UHFFFAOYSA-N", "SMILES:CC1NC(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHLCFSVYZUYFK-UHFFFAOYSA-N", "SMILES:CCC1NC(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIZKWDESWYSIJ-UHFFFAOYSA-N", "SMILES:CCCC1NC(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBKLVCANLXURD-UHFFFAOYSA-N", "SMILES:CCCCC1NC(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZQFBWSRSNNFMJ-UHFFFAOYSA-N", "SMILES:CC(C)CC1NC(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRIZVKVPRBXJV-SSDOTTSWSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)[C@@H](C)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRIZVKVPRBXJV-ZETCQYMHSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)[C@H](C)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIZKWDESWYSIJ-LLVKDONJSA-N", "SMILES:CCC[C@H]1NC(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIZKWDESWYSIJ-NSHDSACASA-N", "SMILES:CCC[C@@H]1NC(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJJRSKYLYIDEHO-CQSZACIVSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)[C@@H](C3CCCCC3)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJJRSKYLYIDEHO-AWEZNQCLSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)[C@H](C3CCCCC3)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKOYOYZZWAJOMZ-OAHLLOKOSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)[C@@H](Cc3ccccc3)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKOYOYZZWAJOMZ-HNNXBMFYSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)[C@H](Cc3ccccc3)N2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPIZWOPUYCDULD-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nnc(-c3ccccc3)[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDSUYVYKQGWBY-UHFFFAOYSA-N", "SMILES:O=C(C1=C(O)C(=O)N(c2ccc(O)c(C(=O)O)c2)C1c1ccc(-c2nccs2)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXMFTQGDYRMEFO-UHFFFAOYSA-N", "SMILES:O=C(O)CSC(O)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDESMYPAACPJGO-UHFFFAOYSA-N", "SMILES:O=C1CC(NCc2ccco2)C(=O)NN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUGCLYHYSHFAE-YVEFUNNKSA-N", "SMILES:CC(=O)N1Cc2cnc(O[C@@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATISQPFZANBMFU-SCLBCKFNSA-N", "SMILES:CC(=O)N1Cc2ccc(O[C@@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKEUMUPBEBVLSY-ORAYPTAESA-N", "SMILES:CC(=O)N1Cc2cnc(O[C@@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEZEDNSDNXGSS-ORAYPTAESA-N", "SMILES:CC(=O)N1Cc2cc(O[C@@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)cnc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHZKQYDLBEIIU-GDZNZVCISA-N", "SMILES:CC(=O)N1Cc2cnc(O[C@@H]3C[C@H](C)N([C@@H](C)c4cc5nc(C)sc5cc4F)C3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZMDTAIYFPMKV-SUNYJGFJSA-N", "SMILES:CC(=O)N1Cc2ccc(O[C@@H]3C[C@H](C)N([C@@H](C)c4cc5nc(C)sc5cc4F)C3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZUMYVMZYKIFQ-QFIPXVFZSA-N", "SMILES:CC(=O)NCC#Cc1ccc(C2=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVDRARONQMNMOU-FQEVSTJZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(C#CCO)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZSKZSQLYGRRZ-FXMQYSIJSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(C#CC(C)N)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNOBGFNZKGBPX-FQEVSTJZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(C#CCNC(=N)N)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBSAOUSYAQZNQ-NRFANRHFSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(C#CC(C)(C)N)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBBMNVKPRLOAW-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(cc1CS(C)(=O)=O)-c1cn(C)c(=O)c3[nH]cc(c13)CN2c1ncc(C#CCN)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIUFSVNWWSPKC-CQSZACIVSA-N", "SMILES:O=C(NO)c1cnc(N[C@H](c2ccccc2)C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIGZXLUBHSVIMS-CYBMUJFWSA-N", "SMILES:O=C(NO)c1cnc(N[C@@H](c2ccccn2)C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBQIKAUELOOSBM-UHFFFAOYSA-N", "SMILES:CC(C)(Nc1ncc(C(=O)NO)cc1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMPFSCNKKZVPGC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cnc(NC2(c3c(F)cccc3F)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYUAEMZSZDMXCF-UHFFFAOYSA-N", "SMILES:CC(C)(Nc1ncc(C(=O)NO)cc1F)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXAQODIHBXJOPG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cnc(N2CCc3ncccc3C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBRHZLRAQNRJSZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDWCZQOHLVVLK-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nnc3ccc(-c4ccc(F)cc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWORDCIUKOESHW-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFSPUECBJISPDO-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cn2cnc3ncc(-c4ccc(F)cc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBGRKCXHSEQHF-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nnc3sc(-c4ccccc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQCXQMQVIZTAEQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nnc3sc(Nc4ccccc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNAGXDMMOSASIP-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZBOVLISUSDGU-UHFFFAOYSA-N", "SMILES:Oc1cccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLOGVMDUHGJIH-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2nn3c(Cc4ccc5c(c4)OCO5)nnc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDQXNVZAFBXRIJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCROGHORREYJQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJMJECMHHOSQGD-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2nn3c(Cn4ccc5ncccc54)nnc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPPVNFOSFGTCRJ-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2nn3c(Cc4ccc5ncccc5c4)nnc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGCZGJBQCVQGY-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nn3c(Cc4ccc5ncccc5c4)nnc3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVSPCWTSDZDPI-UHFFFAOYSA-N", "SMILES:CC(c1ccc2ncccc2c1)c1nnc2sc(-c3cnn(C)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVSPCWTSDZDPI-LLVKDONJSA-N", "SMILES:C[C@H](c1ccc2ncccc2c1)c1nnc2sc(-c3cnn(C)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVSPCWTSDZDPI-NSHDSACASA-N", "SMILES:C[C@@H](c1ccc2ncccc2c1)c1nnc2sc(-c3cnn(C)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRZEVZCRXEKBO-NSHDSACASA-N", "SMILES:C[C@@H](c1ccc2ncccc2c1)c1nnc2sc(Nc3cnn(C)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGHUVPKHBMTXHY-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nn3c(C(F)(F)c4ccc5ncccc5c4)nnc3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVYDBNTELEPBO-LLVKDONJSA-N", "SMILES:Cc1nn(C)cc1-c1nn2c([C@H](C)c3ccc4ncccc4c3)nnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVYDBNTELEPBO-NSHDSACASA-N", "SMILES:Cc1nn(C)cc1-c1nn2c([C@@H](C)c3ccc4ncccc4c3)nnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVOISEJVFFIGQE-YCZSINBZSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLYFKMTORWDHI-NMLACTOBSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBACNZXDGSTOEH-RCOXNQKVSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAEGFERQJKCQQO-FDPIWHGQSA-N", "SMILES:CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRDSZCQUGDLOB-RNJTYBCJSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPTWHXHEYAIKG-RCOXNQKVSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRKQGOWSACQLGK-QAJUQPOASA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(OC(F)(F)F)cc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMMWFZAYATARQ-WCIQWLHISA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHKEAUDCSNIIR-LULLPPNCSA-N", "SMILES:CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVMTABEFLKIEG-PMXSJFBMSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOYZHUQEWFRBJB-PMXSJFBMSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHDMEJTVYXXZNQ-OPKPGBGESA-N", "SMILES:NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)c3cc4cc(C(=O)P(=O)(O)O)ccc4[nH]3)C(=O)N21)C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCSCHXVWPSGBG-OPKPGBGESA-N", "SMILES:NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)c3cc4cc(C(F)(F)P(=O)(O)O)ccc4[nH]3)C(=O)N21)C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJKQCRYLVDYGDN-RQNOJGIXSA-N", "SMILES:N#Cc1ccccc1Cn1c(=O)n(C[C@H]2CC[C@H](C(=O)NCc3ccccc3)CC2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJNIJJCRJVJHJ-MEMLXQNLSA-N", "SMILES:N#Cc1ccccc1Cn1c(=O)n(C[C@H]2CC[C@H](C(=O)Nc3ccncc3)CC2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYHGLYFYVGECPO-MXVIHJGJSA-N", "SMILES:N#Cc1c(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)Nc4ccncc4)CC3)c(=O)c3ccccc32)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNNKKMUXMUNHH-WGSAOQKQSA-N", "SMILES:N#Cc1c(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)Nc4ccncc4)CC3)c(=O)c3c(F)cccc32)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYZLCULSMFWLC-WGSAOQKQSA-N", "SMILES:N#Cc1c(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)Nc4ccncc4)CC3)c(=O)c3c(Cl)cccc32)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSOEIOPMMKKQB-MXVIHJGJSA-N", "SMILES:COc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWBPQDBDYNXIG-MEMLXQNLSA-N", "SMILES:Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUQAIVLNXVOPO-MXVIHJGJSA-N", "SMILES:Cc1c(F)ccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLCHCUMPTXYOAE-HZCBDIJESA-N", "SMILES:Cc1ccc2c(c1C)c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVUNOEJZLPVTPG-MXVIHJGJSA-N", "SMILES:Cc1c(C(N)=O)ccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBKWTSXRBZCOP-HZCBDIJESA-N", "SMILES:Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKAMTFJANBYQPK-MXVIHJGJSA-N", "SMILES:N#Cc1ccccc1Cn1c(=O)n(C[C@H]2CC[C@H](C(=O)Nc3ccncc3)CC2)c(=O)c2ccncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVKOLZRYWATMB-MXVIHJGJSA-N", "SMILES:N#Cc1ccccc1Cn1c(=O)n(C[C@H]2CC[C@H](C(=O)Nc3ccncc3)CC2)c(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBRJROSZFSUGRT-IYARVYRRSA-N", "SMILES:N#Cc1ccccc1Cn1c(=O)n(C[C@H]2CC[C@H](C(=O)Nc3ccncc3)CC2)c(=O)c2nc[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLMMDZKMFSPWBN-MXVIHJGJSA-N", "SMILES:Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccnnc3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSHPNDTAUJRNF-HZCBDIJESA-N", "SMILES:Cc1ccc(NC(=O)[C@H]2CC[C@H](Cn3c(=O)c4c(C)cccc4n(Cc4cccc(C(F)(F)F)c4C#N)c3=O)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIFMYDJQDUUNJ-MXVIHJGJSA-N", "SMILES:Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3cnn(C)c3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEGUWBRAAXPAC-YHBQERECSA-N", "SMILES:Cc1cccc(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)Nc4ccncc4)CC3)c(=O)c3c(C)cccc32)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATNQGPSTVULMGA-MEMLXQNLSA-N", "SMILES:Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1cccc(Cl)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTUZGSSQNKRSR-WKILWMFISA-N", "SMILES:N#Cc1c(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)O)CC3)c(=O)c3ccccc32)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDVBJHFEZRTDHU-QAQDUYKDSA-N", "SMILES:Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)O)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPXFUPAGTLOLPU-WKILWMFISA-N", "SMILES:COc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)O)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTLPJWLCDNFFX-SHTZXODSSA-N", "SMILES:N#Cc1c(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)O)CC3)c(=O)c3c(F)cccc32)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCHACNVSFKECE-SHTZXODSSA-N", "SMILES:N#Cc1c(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)O)CC3)c(=O)c3c(Cl)cccc32)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEPQJCJZMGAYPN-WKILWMFISA-N", "SMILES:Cc1c(F)ccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)O)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXVPUDCPCBXPZ-IYARVYRRSA-N", "SMILES:Cc1ccc2c(c1C)c(=O)n(C[C@H]1CC[C@H](C(=O)O)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3699067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXZYBFDAFXVFZ-MUUNZHRXSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1)c1csc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3699066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJVNJCPKZBCJKQ-AREMUKBSSA-N", "SMILES:CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2csc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)n2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQIJERUSRSBOTO-PDASMPFXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBOZAQUCXUYFI-WLTULGLISA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXIQHQVCHXDRE-XJGWJCHFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARPFMWMRXZCXQS-LOYJKHRWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUJPRDOTFWCHJ-RRRSFJALSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTHZMDZEILVHF-TUSJDEFPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWEXGZHJFSODDB-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(C)(C)c2cc(-n3c(C(F)(F)F)nc4cc(C(=O)O)ccc43)c(OCCOCCNc3ccc([N+](=O)[O-])c4nonc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDEYRUOONDRBQO-UHFFFAOYSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(c1ccc(C(=O)NCCOCCOc3cc4c(cc3-n3c(C(F)(F)F)nc5cc(C(=O)O)ccc53)C(C)(C)CCC4(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBIMZDZZPNFVOV-IBGZPJMESA-N", "SMILES:CC1(C)CN2CCC[C@@]2(CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTPMWAPDMTVKH-UHFFFAOYSA-N", "SMILES:CC1(CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVGBKXMUVOMTDB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2(Cc3ccccc3)CCCN2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGEYEQPAQOUAJU-UHFFFAOYSA-N", "SMILES:CNC(C)(CNc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLOGRHLRZXKPOT-AWEZNQCLSA-N", "SMILES:CN[C@H](CNc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTWJLCLIHGBXAC-HNNXBMFYSA-N", "SMILES:CN(C)[C@H](CNc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMRHRDWQZADERO-ZDUSSCGKSA-N", "SMILES:CN[C@H](CNc1cc(F)c(S(=O)(=O)Nc2ncc(F)s2)cc1Cl)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZCDRTWBLVUDP-ZDUSSCGKSA-N", "SMILES:CN[C@H](CNc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFWJHJXRNZTFT-NSHDSACASA-N", "SMILES:CN[C@H](CNc1cc(F)c(S(=O)(=O)Nc2ncc(F)s2)cc1Cl)CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPANHTQATSFCGZ-JTQLQIEISA-N", "SMILES:CN[C@H](CNc1cc(F)c(S(=O)(=O)Nc2ncc(F)s2)cc1Cl)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSWSESLUVPREY-JTQLQIEISA-N", "SMILES:CN[C@H](CNc1cc(F)c(S(=O)(=O)Nc2ncc(F)s2)cc1Cl)CC1(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPTXVASMFPNNE-PPHPATTJSA-N", "SMILES:CN[C@H](CNc1cc(F)c(S(=O)(=O)Nc2ncc(F)s2)cc1Cl)CC(C)(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPJYOEWTGAKIGA-SNVBAGLBSA-N", "SMILES:CN[C@H](CNc1cc(F)c(S(=O)(=O)Nc2ncc(F)s2)cc1Cl)C[Si](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOSYWKLPIJDEM-PNSNSFJUSA-N", "SMILES:CN[C@H](CNc1cc(F)c(S(=O)(=O)Nc2ncc(F)s2)cc1Cl)CC12CC(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUUUJLMEMRAYII-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cn[nH]c2)cc1F)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWFLGVPKXPOKG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(-c2cn[nH]c2)c(F)c1)C1COc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJZUOIFJSCJRY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(C(=O)Nc1cc(F)c(-c3cn[nH]c3)c(F)c1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJCWZPTCSKXKK-UHFFFAOYSA-N", "SMILES:Cc1nc2nc(-c3cccnc3)nn2c(C)c1CC(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCFVJPAIUSMML-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2nnn(CC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYCKNKAOMHFQF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGVRMOGMRMIGE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cnn(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMPLFOVCSRJQQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPIWJUNMCKXNKZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXAIIFCFPQJBJF-UHFFFAOYSA-N", "SMILES:Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)Cc3ccc4c(c3)C(C)(C)C3=C5C=C6C7=[N+](CCC6OC5CCN34)c3ccc(S(=O)(=O)[O-])cc3C7(C)C)CC1)c1ccccc1NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNUIFJVXOXJVGC-UHFFFAOYSA-N", "SMILES:Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)c3ccc(-c4c5ccc(=N)c(S(=O)(=O)O)c-5oc5c(S(=O)(=O)O)c(N)ccc45)c(C(=O)O)c3)CC1)c1ccccc1NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRXWFCPDAPVERE-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYFOSGGTPUMZLP-UHFFFAOYSA-N", "SMILES:Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYAXJKADJJRRRN-UHFFFAOYSA-N", "SMILES:Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWPBMMSMXDEAC-UHFFFAOYSA-N", "SMILES:Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUQALAONUATIE-OIWVIQBMSA-N", "SMILES:O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTWPYWJMLIDHOJ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIVPXWUVXIMDE-UHFFFAOYSA-O", "SMILES:Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDUNOVASXQWNJ-UHFFFAOYSA-N", "SMILES:NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUVDDUKYAUHAH-UHFFFAOYSA-N", "SMILES:NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHAYJDLLMUPSBC-UHFFFAOYSA-N", "SMILES:O=C(CCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRLMLQNXERJQPS-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDSSVPRZTGDOSX-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)C1CCN(Cc2nc3cc(F)ccc3o2)CC1"]}
{"name": "Choline trimethylamine-lyase", "xref": ["CHEMBL.TARGET:CHEMBL4739856"], "id": "UniProtKB:Q30W70", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:207559"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRVRGNQFRJGBPR-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCC1CCCC1O)c1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTGQUKXPLMJHZ-UHFFFAOYSA-N", "SMILES:COc1cc(CCNC(=O)NC2CCCCC2CO)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HERYGFWSZGEAEI-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cccc(C(=O)NCCCN2CCC(O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3494474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDUYPYMZBDJDQZ-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)NCCNc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPMMZRWAYDAMI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)nc1)NC1CCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3246759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTAIYTHAJQNQDW-KQYNXXCUSA-N", "SMILES:Cn1c(N)nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3491041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLBAYOVPOCTFJJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC2CCN(C(=O)Nc3cn[nH]c3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZSIIWNNSNEREF-UHFFFAOYSA-N", "SMILES:CC(O)CNC(=O)NC1CCN(Cc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHAONOCGLIEXAY-UHFFFAOYSA-N", "SMILES:O=C(NCc1nc(-c2ccccc2)n[nH]1)NC1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDHZKQYHDFALD-LURJTMIESA-N", "SMILES:CN1CC=C[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231491", "category": ["biolink:ChemicalEntity"], "name": "BETAINE ALDEHYDE", "xref": ["InChIKey:SXKNCCSPZDCRFD-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CC=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4756034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYLDIOXQNAOHRU-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cccc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGSGYMWIPFOES-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccccc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSLJTXQUSXGEKD-JTQLQIEISA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAABESJGOZBJI-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOCVLCJJIZGFQK-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSIDUNLNBESMF-JTQLQIEISA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cncc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTXPFCDBMXHRU-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPBIRWBQXBXNRK-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWGSXWLXIBFPF-JTQLQIEISA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJBNNUXCQXZSV-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJJJMUGTTBYKLR-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOKYCGVSKJAHTC-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSDLKKFIVSFNC-VIFPVBQESA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXIHQUPVPUKVJH-JTQLQIEISA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFHBVCVDRZKOR-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJSOUVMRXCDCS-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGGDBXPXSTVMJ-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NECJQZONAPGIJP-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2cc(F)ccc2n1-c1cccc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARGMEIUNNDIMNN-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARGMEIUNNDIMNN-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZYCUVQYCHLFBL-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NECJQZONAPGIJP-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ncnc(N)c1C#N)c1nc2cc(F)ccc2n1-c1cccc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQGMYHZPZYOLY-BXAHNNPDSA-N", "SMILES:CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(NC(=O)COCCOCCNC(=O)C(C1CC1)n1cc(-c2cccc(OC)c2)nn1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFHXANBHUGGDAV-UHFFFAOYSA-N", "SMILES:CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(NC(=O)COCCOCCNC(=O)C(C1CC1)n1cc(-c2cccc(OC)c2)nn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLUUGWDTWODMU-YLSRUOGQSA-N", "SMILES:NC(=O)C(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)NC(=O)C(CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21)NC(=O)Cc1ccc(CNC(=O)[C@H](C2CC2)n2cc(CC3CCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBGQIMMMJDPXHN-UYQMNGSLSA-N", "SMILES:NC(=O)C(CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21)NC(=O)Cc1ccc(CNC(=O)[C@H](C2CC2)n2cc(CC3CCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHIWHHOLYWCPAQ-LJCDRVEDSA-N", "SMILES:CCC(C)C(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](NC(=O)C1CCCC(NC(=O)C(C2CC2)n2cc(CC3CCCCC3)nn2)C1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUUFMXIWXRVSC-UCMLBMOYSA-N", "SMILES:CCC(C)C(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](NC(=O)C1CCCC(NC(=O)C(C2CC2)n2cc(CC3CCCCC3)nn2)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPOIYTALYVATJI-PUZZGUGDSA-N", "SMILES:CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(NC(=O)CC1(NC(=O)C(C2CC2)n2cc(CC3CCCCC3)nn2)CCCCC1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZGZFBJLVCZEO-UHFFFAOYSA-N", "SMILES:CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(NC(=O)CC1(NC(=O)C(C2CC2)n2cc(CC3CCCCC3)nn2)CCCCC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTDBGGOKARLBM-NUZBHYQQSA-N", "SMILES:CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](NC(=O)C1(NC(=O)[C@H](CC(C)(C)C)n2cc(CC3CCCCC3)nn2)CC1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJLRANHIWNTSI-OEBVTXOESA-N", "SMILES:CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](NC(=O)C1(NC(=O)[C@H](CC(C)(C)C)n2cc(CC3CCCCC3)nn2)CC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMUPWRYLYIGLBT-OUVFRTDVSA-N", "SMILES:CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](NC(=O)C1CCCC(NC(=O)[C@H](CC(C)(C)C)n2cc(CC3CCCCC3)nn2)C1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQWFURHOXSOIBT-QQEKUJKQSA-N", "SMILES:CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](NC(=O)C1CCCC(NC(=O)[C@H](CC(C)(C)C)n2cc(CC3CCCCC3)nn2)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPNRQAFBKPLAFQ-DVDPHLMMSA-N", "SMILES:CC(C)C(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](NC(=O)CC1(NC(=O)[C@H](CC(C)(C)C)n2cc(CC3CCCCC3)nn2)CCCCC1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZVPVCFZEIWTEG-QRBFTZNISA-N", "SMILES:CC(C)C(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](NC(=O)CC1(NC(=O)[C@H](CC(C)(C)C)n2cc(CC3CCCCC3)nn2)CCCCC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQVDIJUDRHZKIC-BOFZCIEDSA-N", "SMILES:CCC(C)C(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](NC(=O)CC1(NC(=O)[C@H](CC(C)(C)C)n2cc(CC3CCCCC3)nn2)CCCCC1)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTPVCXNNVFAAV-QWTJHRAJSA-N", "SMILES:CCC(C)C(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](NC(=O)CC1(NC(=O)[C@H](CC(C)(C)C)n2cc(CC3CCCCC3)nn2)CCCCC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPZNXGCAIKYHCH-SKKJARRJSA-N", "SMILES:CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYEOAOBHFVKUPP-UHFFFAOYSA-N", "SMILES:CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFURQBPBEMKOCL-JEUSNYKRSA-N", "SMILES:CC(C)C(NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSIDPJROSRIEZ-UHFFFAOYSA-N", "SMILES:CC(C)C(NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTJJJLSLKZFEPJ-ZAYCRUKZSA-N", "SMILES:C=CC(C)(C)[C@@]12C=C(O)C(=O)N3/C(=C/c4cnc[nH]4)C(=O)N[C@]31N(OC)c1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517788", "category": ["biolink:ChemicalEntity"], "name": "ROQUEFORTINE C", "xref": ["InChIKey:SPWSUFUPTSJWNG-JJUKSXGLSA-N", "SMILES:C=CC(C)(C)[C@@]12C[C@H]3C(=O)N/C(=C/c4c[nH]cn4)C(=O)N3[C@@H]1Nc1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFNUUSKORIZHNY-UHFFFAOYSA-N", "SMILES:N#CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVJCBEBQBNUOBF-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(=C(Cn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBLDUCOEYFZZBF-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(=C(Cn2cncn2)c2ccccc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMWKXAUTSHQSI-UHFFFAOYSA-N", "SMILES:N#CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEHDVHLUQMMMG-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(Cn2ccnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FORJXYOVXGFZFK-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(Cn2cncn2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISHXLXBGWXDLTG-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(Cn2cnnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGZUIRQJAWISOE-UHFFFAOYSA-N", "SMILES:N#CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXOMVICDLBGZFI-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(=C(Cn2ccnc2)c2ccc(O)c(F)c2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBLPENGTURWDC-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(=C(Cn2cncn2)c2ccc(O)c(F)c2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQQKVCOSQJCSAJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(=C(Cn2cnnc2)c2ccc(O)c(F)c2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQSSQUNBUFLYKY-UHFFFAOYSA-N", "SMILES:N#CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFRHFQXUAFBJFL-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(Cn2ccnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKAAXQSVLKGEPT-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(Cn2cncn2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDQLCXWMQHDJLD-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(Cn2cnnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUBGJNRZATUMRK-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(=C(Cn2ccnc2)c2cccc(O)c2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCFLINACHXVWHP-UHFFFAOYSA-N", "SMILES:Nc1cccc(C(Cn2ccnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVYVRSFYHAUGS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CN(S(N)(=O)=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBFFSCNFDWWSG-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPCGPXOUNZDGSJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CN(C(=O)CO)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJOYTXHUVKUNJM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CN(C(C)=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTGSNJLUXEPLW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CN(CC(=O)N(C)C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVSAJPCEEDMVAU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CN(CCN(C)C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULWXBIHYFQMPQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CN(CCO)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZTJLNNIRUUCFF-UHFFFAOYSA-N", "SMILES:CCN1CCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFTVEPJIOFORF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQDHDMZXGLFHJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNAXJCRMZXFDBD-UHFFFAOYSA-N", "SMILES:COc1cc2cnccc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVABXPHWPOLVTC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTJOIFQCDBGGFP-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC[N+](C)(C)C2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNDJKIUZARFMOV-UHFFFAOYSA-N", "SMILES:CCC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBOPOANOSXCWQK-UHFFFAOYSA-N", "SMILES:CC(C)COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBRDZYUSKWUHC-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLNAYAYIBPVNHG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN(S(N)(=O)=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHPDBWZFWUODJ-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHAGOIOZMNDCRO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN(C(=O)CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COQMOZVJUSSUKM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN(C(C)=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREJSHALYATLCM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN(CC(=O)N(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HULYGZZDVZJGOH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN(CCN(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUMLMPIENTQJN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN(CCO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIGGCHAZOMSOL-UHFFFAOYSA-N", "SMILES:CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEPXYPBJLFPDV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBHHPFFBCTEBR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3144390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXBHXAMUPKFGNW-UHFFFAOYSA-N", "SMILES:CN(C)CCCCCN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONSKVAPFVGNDJP-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)NCCCN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccc(F)cc2)N1c1ccc(C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXAPLYDEQIXKNR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2=NC3NCCCC3C(Nc3ccccc3S(=O)(=O)C(C)C)=N2)c(OC(C)C)cc1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKMOGDHBGRPSL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3cccnc3n2)c(OC(C)C)cc1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPCMKRYVNOMQW-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(Nc3cc(C)c(C4CCN(C)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJVYGRDGVXCDAY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3ccccc3n2)c(OC(C)C)cc1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSMKFDZVGHQHS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)nc3[nH]ccc23)c(OC(C)C)cc1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGSYFRVZZKBOB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)c(OC(C)C)cc1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJORULJHGWXHKA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(N)n[nH]c3n2)c(OC(C)C)cc1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3651854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFTBNZZMNUUEFO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVIFGIBRQXOEEX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)n[nH]c3n2)c(OC(C)C)cc1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPJXRFDCACRNM-UHFFFAOYSA-N", "SMILES:Cc1cc2c(Nc3ccccc3S(=O)(=O)C(C)C)nc(Nc3cc(C)c(C4CCN(C)CC4)cc3OC(C)C)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKLJNVLVVFHAW-UHFFFAOYSA-N", "SMILES:Cc1cc2c(Nc3ccccc3S(=O)(=O)C(C)C)nc(Nc3cc(C)c(C4CCNCC4)cc3OC(C)C)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3651885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYVDZBWKEAFWAG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3[nH]nnc3n2)c(OC(C)C)cc1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWXBESRGEPLREF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3cn[nH]c3n2)c(OC(C)C)cc1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHMNRNXZPYQHB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)c(OC(C)C)cc1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJKVPKPXYHLAKR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3cn[nH]c3n2)c(OC(C)C)cc1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTZVCMKQQAGWBA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)c(OC(C)C)cc1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3734798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCASRZWPCOLUMW-GFCCVEGCSA-N", "SMILES:C[C@@H](Oc1cc(-c2ccn(C3CCNCC3)n2)cnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTKIQSPYLJKHAN-BMVHUKNUSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)C(C)(C)CO[N+](=O)[O-])C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRJVRAQCGODMGZ-FGYOMBRZSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCCCO[N+](=O)[O-])C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWUCTIKUBHLFPG-DUKJDSOCSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccc(OCCCO[N+](=O)[O-])cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZRDVUXDDEGMM-XZZHESMXSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccc(OCC(CO[N+](=O)[O-])O[N+](=O)[O-])cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHWFAWOETBOVRJ-DUKJDSOCSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccc(CCCO[N+](=O)[O-])cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2220379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTHQFBYDISTBB-OJBHDHMSSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccc(CC(CO[N+](=O)[O-])O[N+](=O)[O-])cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYCFJPRFMBFNTN-WXDSVIRQSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJBKJAEGQKHAB-GTCSNXPRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPPDQYGYUOOQI-XDJXUSIBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIHDUVGMVAQOH-IDFYMFIFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)C3CCC(=O)N3)[C@@H](C)O)CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPQQHLJWDSIJDW-IXNPVOJSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPGWRVNPJSUZJT-DDYAFKAXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTBAXTZTWXXOA-FIAULMPDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBJQXYTEQHUPH-LSTQPPRASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVNXNINJEDREKA-VSSDWAGESA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDFCNVDDLLNAF-KUGIAWMBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)C3CCC(=O)N3)[C@@H](C)O)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(=O)N[C@H](CO)C(=O)N[C@H](CCSC)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)O)CSSC[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1605826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZIYUVZAQCFARF-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNc1n[nH]c(NCc2ccccc2OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHOZHFPVWFFNH-UHFFFAOYSA-N", "SMILES:Nc1nnc(NCc2c(Cl)cccc2Sc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGTZLGWVMIWBB-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2cccc(Cl)c2CNc2nnc(N)[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPOREVJOPMPYMP-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(NCc2c(Cl)cccc2Oc2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCUOVZXEJFNAE-UHFFFAOYSA-N", "SMILES:Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYTYMYALRSVMJP-GFCCVEGCSA-N", "SMILES:Cc1nnc2n1-c1ccc(S(C)(=O)=O)cc1N(c1ccc(Cl)cc1)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSBAZBHAMBXGX-CYBMUJFWSA-N", "SMILES:Cc1ncnn1-c1ccc2c(c1)N(c1ccc(Cl)cc1)C[C@@H](C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCVLWMQWMYQRMC-LLVKDONJSA-N", "SMILES:Cc1nnc2n1-c1ccc(C(N)=O)cc1N(c1ccc(Cl)cc1)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRAICAOVBEGCG-CYBMUJFWSA-N", "SMILES:Cc1nnc2n1-c1ccc(-n3cncn3)cc1N(c1ccc(Cl)cc1)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRBRRTVLECUXPX-OAHLLOKOSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(=O)n(C)c3)cc1N(c1ccc(Cl)cc1)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APBJGATVIQPHOY-OAHLLOKOSA-N", "SMILES:Cc1ccc(-c2ccc3c(c2)N(c2ccc(Cl)cc2)C[C@@H](C)c2nnc(C)n2-3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCVHMXAVQAKLN-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccccc1N(c1ccc(Cl)cc1)C(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBRJLPKKZHHGCO-AWEZNQCLSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1N(c1ccc(Cl)cc1)C[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSNIEZHAVWGVBS-UHFFFAOYSA-N", "SMILES:CCNC(=O)CC1CN(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGXRMQACSNETBM-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccccc1N(c1ccc(Cl)cc1)CC2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBRJLPKKZHHGCO-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1N(c1ccc(Cl)cc1)CC2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWIZXQJCBCRME-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3cnn(C)c3)cc1N(c1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDWJQYGRVSVZED-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccccc1N(c1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQKDPPYZXQQYDW-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccc(-c3cnn(C)c3)cc1N(c1ccc(C#N)cc1)CC2CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPASWBZGLLYNX-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccc(-c3ccc(=O)n(C)c3)cc1N(c1ccc(C#N)cc1)CC2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXCIVLLHJKUSMZ-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccc(-c3cnn(CC(N)=O)c3)cc1N(c1ccc(C#N)cc1)CC2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWDDSEHIWXKJRB-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccc(-c3ccc(N)nc3)cc1N(c1ccc(C#N)cc1)CC2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZSYRIGRUHHBL-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccc(-c3ccc(N)nc3)cc1N(c1ccc(C#N)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQAWVBRGWDSPRT-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccccc1N(c1ccc(C#N)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBRJLPKKZHHGCO-CQSZACIVSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1N(c1ccc(Cl)cc1)C[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSYMOIHZFYBDKJ-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccccc1NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRXMDCTRDZQPB-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccccc1NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJTNJJWGQNSQDQ-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NC(=O)c3nccnc3N)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKKWPRQRKITGX-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NC(=O)c3cc(C#N)cnc3N)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVSSUSIAFAAXTH-UHFFFAOYSA-N", "SMILES:CCc1cnc(N)c(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKXVFHDNBMQMR-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(C)C)c(NC(=O)c3cccnc3N)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOCUXQOTKGICNR-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C)c(NC(=O)c3cccnc3N)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALYJBPNXVSVSG-UHFFFAOYSA-N", "SMILES:CCCc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVYYELHCCMXMC-UHFFFAOYSA-N", "SMILES:CCc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCUAXUIWLKXUDO-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NCc3cccnc3N)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWHPATATCVJNBI-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRZQKQODOZQWCP-UHFFFAOYSA-N", "SMILES:CCc1cc2cc(NC(=O)c3nccnc3N)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWGUBJMPOFYASI-OATREDKOSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWHYQMGVRQMTB-FUHWJXTLSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1(O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTYKRTSOCQCEPK-DOTOQJQBSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWDLFQZYNXUQJO-FUHWJXTLSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C(C)(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWSWDNJVYYRPV-YQQAZPJKSA-N", "SMILES:C[C@H](O)C(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWSWDNJVYYRPV-ZMSDIMECSA-N", "SMILES:C[C@@H](O)C(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJTRQQWAHUHDLU-MAUKXSAKSA-N", "SMILES:Cc1oncc1C(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGKJUHDGAKVTP-FUHWJXTLSA-N", "SMILES:COCCC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHZXWKNBGJHOZ-DOTOQJQBSA-N", "SMILES:CCC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLFTAOXPWVPLR-WMLDXEAASA-N", "SMILES:CC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKDUSMVXQLLKA-OXQOHEQNSA-N", "SMILES:CC1(C(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)CC[C@@H]2C(F)(F)F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPLVWQZHSWGGTJ-IFMALSPDSA-N", "SMILES:COC[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1C(=O)C1(C)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPKAQTRYJFAIKE-UYAOXDASSA-N", "SMILES:CC1(C(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@@H]2C(F)F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUXCAVPIXFTUAB-FUHWJXTLSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1(C)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFPFHCOXJBYPH-OAHLLOKOSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)c(F)c4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCUUZHZXPHSILP-GOSISDBHSA-N", "SMILES:COc1cc(-c2nc([C@@H]3CCCN(C(=O)C4(C)COC4)C3)n3ccnc(N)c23)ccc1C(=O)Nc1cc(C(F)(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAIKCXPTIZRKA-QGZVFWFLSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4OC(F)(F)F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZRTNRBHFRRIH-GOSISDBHSA-N", "SMILES:COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CCCN(C(=O)C3(C)COC3)C2)n2ccnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYCDYCABTZOTF-QGZVFWFLSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)c(Cl)c4)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECBQBFHNONJLH-QGZVFWFLSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)c(F)c4)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHVBDPBUXYJBS-MRXNPFEDSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5ncc(C#N)s5)cc4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKSAOIFHVMUDL-MRXNPFEDSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5nccs5)cc4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQEDEOHQNJZHPK-GOSISDBHSA-N", "SMILES:Cc1cnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)C5(C)COC5)C4)n4ccnc(N)c34)c(F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSERIIFAUBIXDV-GOSISDBHSA-N", "SMILES:Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)C5(C)COC5)C4)n4ccnc(N)c34)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PREKNIIRSLFQDR-GOSISDBHSA-N", "SMILES:CCc1cc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)C5(C)COC5)C4)n4ccnc(N)c34)c(F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYOMKXZQVSNDK-QGZVFWFLSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cccnn5)cc4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSUBLDOJWQPMQR-LJQANCHMSA-N", "SMILES:Cc1cccnc1NC(=O)c1ccc(-c2nc([C@@H]3CCCN(C(=O)C4(C)COC4)C3)n3ccnc(N)c23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUWQFXYZQHDNT-QGZVFWFLSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(OC(F)(F)Cl)ccn5)cc4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCPRQYCHBAKOZ-HXUWFJFHSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(-n6cccn6)ccn5)cc4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFINNXRAFPGPH-LJQANCHMSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(OC6CC6)ccn5)cc4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLZOFGDSOOWNPY-LJQANCHMSA-N", "SMILES:CCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)C5(C)COC5)C4)n4ccnc(N)c34)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZWWXZZALUYFOO-LJQANCHMSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C#N)ccn5)cc4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBALGCZBPQHJG-OAQYLSRUSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C6CC6)ccn5)cc4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYDGQEDVYCTGMO-GOSISDBHSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTUINWBJGLGJFD-LJQANCHMSA-N", "SMILES:Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)C5(C)COC5)C4)n4ccnc(N)c34)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUSWPUDQOKINJO-MAUKXSAKSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFZVVYVIFJBIS-QGZVFWFLSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBFBRPGNOVEBK-LJQANCHMSA-N", "SMILES:CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTZXGINSRQIFY-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCN(c4ncccc4C#N)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDZVNVQCYTSJP-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCN(c4ncccc4C#N)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJJAKCQSLUTJC-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(Nc3ccccc3F)nc(N3CCN(c4ncccc4C#N)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLNTCKCVCFQGU-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(c2nc(Nc3ccc(F)cc3)nc(Nc3cccc(C(F)(F)F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEFOPDDDFZWYRD-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3ccc(F)c(Cl)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYNQZGJHBXPSHC-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3ccc(F)cc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWPINBSURTTQN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCN(c4ncccc4C#N)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYJBUBLCSETOV-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(NC3CC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIMKYGKNVQPJLZ-QHCPKHFHSA-N", "SMILES:COc1ccc([C@@H]2CC(c3sc(-c4ccccc4)nc3C)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRWEHVYGXFMCS-QHCPKHFHSA-N", "SMILES:COc1cccc([C@@H]2CC(c3sc(-c4ccccc4)nc3C)=NN2c2ccc(S(N)(=O)=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCIBBPPUXWTGSL-DEOSSOPVSA-N", "SMILES:COc1cc([C@@H]2CC(c3sc(-c4ccccc4)nc3C)=NN2c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMGVHAZCBSQAT-DEOSSOPVSA-N", "SMILES:COc1ccc([C@@H]2CC(c3sc(-c4ccccc4)nc3C)=NN2c2ccc(S(C)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABKNIHGPAJUXHY-DEOSSOPVSA-N", "SMILES:COc1cccc([C@@H]2CC(c3sc(-c4ccccc4)nc3C)=NN2c2ccc(S(C)(=O)=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYQXORIPKEJMJ-ZHACJKMWSA-N", "SMILES:COc1cc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHYPJPCORPKTMP-PKNBQFBNSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXANCHXENDGOC-OUKQBFOZSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVAQRZSLJMUMK-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2sc(-c3ccccc3)nc2C)nn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCSYHELEJDCLND-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2sc(-c3ccccc3)nc2C)nn1-c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEODGYUMMDOZBN-QHCPKHFHSA-N", "SMILES:COc1cc([C@@H]2CC(c3sc(-c4ccccc4)nc3C)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKFFHZQKHIMLAH-IBGZPJMESA-N", "SMILES:CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDOFWFQNZHUIM-AREMUKBSSA-N", "SMILES:CC[C@@](c1ccc(Cl)cc1)(c1noc(-c2ccccc2)n1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLIRTQCLXDYEP-HSZRJFAPSA-N", "SMILES:CC[C@@](c1ccc(Cl)cc1)(c1noc(C2CC2)n1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORUGZSAFMGHEET-HSZRJFAPSA-N", "SMILES:CC[C@](C(=O)NC(C)(C)C)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWCSAAVALPVLA-HXUWFJFHSA-N", "SMILES:CC[C@](C(=O)NCC(F)(F)F)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTBTYMOCOFKNB-HXUWFJFHSA-N", "SMILES:CC[C@](C(=O)NC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHQPXBHOFIZXKG-FQEVSTJZSA-N", "SMILES:CC[C@@](C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHQPXBHOFIZXKG-HXUWFJFHSA-N", "SMILES:CC[C@](C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRNKDZXXKSBNZ-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC#N)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSFNOMSDNKDFW-UHFFFAOYSA-N", "SMILES:COCC(C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJYAWFFDUWSVNF-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC1CC1)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSBXZRWMFJNHP-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1ccccc1)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHQPXBHOFIZXKG-UHFFFAOYSA-N", "SMILES:CCC(C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RREBBWCGJCVMTA-UHFFFAOYSA-N", "SMILES:COC(=O)C(C)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRYKDIPDGFQNZ-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(NS(=O)(=O)C(F)(F)F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWUKMWJHAUGHRG-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(NC(=O)C(F)(F)F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSGDVCHVSTONN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc2c1ccn2C(C(=O)OC)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIGSXQYXJZZSL-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(C#N)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMMYYDZLOWPKM-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJTWASDLTYTRQK-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBGSKVKKKYCPEB-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(F)cc1Cl)n1ccc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSCCKWITGQQVRH-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(-c2ccccc2Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMIUPFTQQFXKM-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(Cl)cc1Cl)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUOILXCAQNFLB-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(F)cc1Cl)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVNXYKQISILRS-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(OC)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTVGPCMADAGBMO-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(F)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPCNGFVVMQOZFZ-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIUMCLVSKLYWPO-UHFFFAOYSA-N", "SMILES:COC(=O)C(c1ccccc1)n1ccc2c(NS(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDMLFOHENLMIN-GTNGWFEESA-N", "SMILES:COC[C@@H](OC)C(=O)O[C@H](CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL412190", "category": ["biolink:ChemicalEntity"], "name": "APLYRONINE A", "xref": ["InChIKey:JMXMEKJLQWJRHY-OBKZDOTMSA-N", "SMILES:COCC(C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)C(C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)C/C=C/[C@H](OC)C[C@H](C)C/C=C(\\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL453625", "category": ["biolink:ChemicalEntity"], "name": "METHYLPROTODIOSCIN", "xref": ["InChIKey:HSSJYSJXBOCKQM-GVTGEURHSA-N", "SMILES:CO[C@]1(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C"], "chembl_natural_product": true}
{"name": "Disintegrin and metalloproteinase domain-containing protein 15", "xref": ["CHEMBL.TARGET:CHEMBL4802019"], "id": "UniProtKB:Q9QYV0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBPPJIKHAEYMX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)-c2nnc(Oc4cccc(Cl)c4F)n2CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQURMFJVYUYIB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)-c2nnc(Oc4ccccc4OC(F)(F)F)n2CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSMOTGGOUUIFRC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)-c2nnc(Oc4cccc(OC(F)(F)F)c4)n2CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBMTOZPIYOAAG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)-c2nnc(Cc4cccc(Cl)c4)n2CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCAMVFAVWHIYLC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)-c2nnc(Nc4cccc(OC(F)(F)F)c4)n2CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNEPEMQXIDAAKV-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(Nc2nnc3n2CCOc2ccc(-c4ccncc4)cc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGOKPQNNKWLHW-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccc3c(c2)-c2nnc(Nc4cccc(C(F)(F)F)c4)n2CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNOVIOUSABCJCS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)-c2nnc(Nc4cccc(C(F)(F)F)c4)n2CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOJVBIBNNHOZCU-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nnc3n2CCOc2ccc(-c4ccncc4)cc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKCYBFPHVFQMSI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)-c2nnc(Nc4cccc(Cl)c4)n2CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHTUDFFXGOJCGG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPOAJYFMCPOHX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFSKKHKIJDECPU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)-c2nnc(Oc4ccccc4Cl)n2CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVTPUKBAWIKEMR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)-c2nnc(Oc4cccc(Cl)c4)n2CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPARYFQEBKFJQ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)N2CCOc3ccc(-c4ccncn4)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXMEJPBRRTTSF-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)N2CCOc3ccc(-c4ccnc5ccccc45)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSUDNAJUNPLHNA-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)N2CCOc3ccc(-n4ccnc4)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLUOKAMPEQGJDX-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)N2CCOc3ccc(-c4ccncc4OC)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWGJSFORKCINJR-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)N2CCOc3ccc(-c4ccncc4C)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWFUQVAPDVWAQX-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)N2CCOc3ccc(-c4ccnc(N)c4)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMQNSCNXGOFFT-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)N2CCOc3ccc(-c4ccnc(OC)c4)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPGNBQKHRDGHKC-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)N2CCOc3ccc(-c4ccnc(C)c4)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXGTWONCWBXKNX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQLJZYASLALFQE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVVIEAZGZVHCN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCNc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFWDWZDUYRYOZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQEUKJIRGINGJB-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKKOTZMFEYXSSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(Cl)c1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIVQRWBCIWJRPQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1Cl)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYFJRNHLBKAMG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1F)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYIJQVYRDZGFGZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Oc2ccccc2)c1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJUZSJNAVXCHM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMKWHQJUHAUIFS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)N2CCOc3ccc(-c4ccncc4)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXZVBKBKINRDZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccccc2)c1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPAVXYLHUSVJHL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKXJOTZKDZBLN-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)N2CCOc3ccc(-c4ccncc4)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FURXPGXFOFXDJB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCCJWZJURVVSG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFNFXBOYDFUPDL-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAEFPHNMFTWWBW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCOc2ccc(-c3ccncc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOTKDWOCQHEQIR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSCCXILSJVEYHI-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)Cc2cc(-c3ccncc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQDOZQITNXEFR-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)Cc2cc(-c3ccncc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWEHZNNQKZTKJN-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2cccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQLRUIIRRZYHHS-LFXZADKFSA-N", "SMILES:COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4796036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCNDTSGRUUUBHC-RZBWFEIKSA-N", "SMILES:COc1cc(O)c2c(=O)c(O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@](O)(CO)[C@H]4O)c(OC)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4761282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOEMDACKQKXTER-DODNOZFWSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4798780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHVFGSHKCLQRAL-VZNIDZRDSA-N", "SMILES:COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXGMFRZFNQCALH-HMZWGCPASA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@](O)(CO)[C@H]4O)c(OC)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2332114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWVXFHHDXFBRZ-ZFYFIJDHSA-N", "SMILES:COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@](O)(CO)[C@H]4O)c(OC)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1935379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAGOOMUMXTQLM-UHFFFAOYSA-N", "SMILES:O=C(Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHLMGZWXEMKYHM-LRLJOMNRSA-N", "SMILES:COc1cc([C@@H](O)CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCHRCAZKIFXWGU-ORDHHJQLSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccc(O)c(OC)c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLJWQWRTLHKGO-SFHVURJKSA-N", "SMILES:O=C(Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)CC2)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4755609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVHUBJCTWUOIRX-ZDCQYCSKSA-N", "SMILES:COc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)c(OC)c1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDWKYLLAAFQOW-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSEHMUDPTFTCOV-CNANLMALSA-N", "SMILES:Cl.O=C(NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1)C1COCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKJUQJMTBNPUMO-CNANLMALSA-N", "SMILES:Cl.O=C(NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1)C1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKJVWIMJKFOGW-GSBCXTGCSA-N", "SMILES:Cl.[2H]C([2H])([2H])OCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRONTJLTJSLGRJ-KYLFUZKPSA-N", "SMILES:CC(C)OCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWVCZJGIOJWYJM-MIRNQTQTSA-N", "SMILES:CCOCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHGQLISRHPKLW-NXCSSKFKSA-N", "SMILES:COC(C)(C)C(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXDUMPYMUKPEOR-XCBLFTOQSA-N", "SMILES:CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBSKGSWBOBJPLU-JDOFTSHGSA-N", "SMILES:CCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCFGEFANJOESL-MIRNQTQTSA-N", "SMILES:CCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPLZGTDREMPQNS-NKGQWRHHSA-N", "SMILES:Cl.O=C(NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHUBWRSUIAZNT-JDOFTSHGSA-N", "SMILES:COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKJVWIMJKFOGW-JDOFTSHGSA-N", "SMILES:COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKAYSVROGDFFJK-MIRNQTQTSA-N", "SMILES:COCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYNZFHYYCINCD-WJIDIBMQSA-N", "SMILES:COC(C)C(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELGQRKBRHZTRN-UHFFFAOYSA-N", "SMILES:O=C(CCCCC1CCSS1)N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZRPWMPQBETGQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(C(=O)CCCCC3CCSS3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUNPPMPHSGLFIA-UHFFFAOYSA-N", "SMILES:O=C(CCCCC1CCSS1)OC1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWOBPSGCWPCYBE-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(OC(=O)CCCCC3CCSS3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOPDWKLMCFZDX-GOSISDBHSA-N", "SMILES:O=C(CCCC[C@@H]1CCSS1)N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKIKKBICRACBD-LJQANCHMSA-N", "SMILES:O=C(CCCC[C@@H]1CCSS1)OC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGPOBVLZHCYRKV-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOCQRDBFWSXQQI-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHLYIVFFLNISJ-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKWCLUOSBVZSG-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2cc(Br)c(N)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTBWLUYFYTIDX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPIGFOQGKONLPV-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTMTTCTCQVNRF-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQWOPVMPEOCNOF-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENUFVKGQDOMJI-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYALJIWQVIZEV-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIWOTFWCKSHSU-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2cc(Br)ccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXDGJDXXUWAPP-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUJKXFFSDRCYAA-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(OC)c(N3CCN(C)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGRQUPJYQPYJRW-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1"]}
{"name": "5-hydroxytryptamine receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL5017"], "id": "UniProtKB:O70528", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUQCSKQYSTXJIP-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc3c(c2)N(C)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUAPQCUTLMJKPJ-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBCWRINCDHOSR-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)CCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYUNOSQVXMZGGS-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCOUINKDHZKJEO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(Cc2ccc(Cl)c(Cl)c2)=N\\O)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBPDUGDWAOWVLG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(Cc2ccc(F)cc2F)=N\\O)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQDERBQRZVWJK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(Cc2ccc(F)c(F)c2)=N\\O)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXXQNDUBKRRLN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(Cc2ccc(F)cc2)=N\\O)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJNYYWZEIOAHAE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(Cc2ccc(Br)cc2)=N\\O)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIUHMRRXHQWMMV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(Cc2ccc(Cl)cc2)=N\\O)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAVDBXUAOFAIDN-UHFFFAOYSA-N", "SMILES:COc1ccc(C/C(=N/O)Nc2ccc([N+](=O)[O-])c3nonc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOZWCIRJBYKTPV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(Cc2cccc(Cl)c2)=N\\O)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBEQPIFORVAVQY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(Cc2cccc(F)c2)=N\\O)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAEMHMGPVWQAPS-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(Cc2ccccc2F)=N\\O)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZRNTRQCAAIPRP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2ccc(F)c(Br)c2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIIQIYUHDODKHM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2ccc(F)c(Cl)c2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTDXAZENXYPJG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2ccc(Br)cc2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POAFQZBOKZVXAM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2ccc(Cl)cc2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYDYZRWQSRONCB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2ccc(F)cc2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPWRBOOUKLPNJU-UHFFFAOYSA-N", "SMILES:Cc1ccc(/C(=N/O)Nc2ccc([N+](=O)[O-])c3nonc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCABKQSSOLVVGK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2cccc(Br)c2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFBFROFNKKNEU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2cccc(Cl)c2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQHIPBIWEQEXLZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2cccc(F)c2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEPVZWYQNJFQRB-UHFFFAOYSA-N", "SMILES:Cc1cccc(/C(=N/O)Nc2ccc([N+](=O)[O-])c3nonc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCSWJNQVBZLCA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2ccccc2Br)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAUYILNJPUVLOS-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2ccccc2Cl)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHFMCJFWSFJACX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2ccccc2F)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKCIETJHSULMFT-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(Cc2ccccc2)=N\\O)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USPBADWZWIFDAJ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N/C(=N\\O)c2ccccc2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVZZHFMLRHJXTO-RXVVDRJESA-N", "SMILES:Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1"]}
{"name": "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A", "xref": ["CHEMBL.TARGET:CHEMBL2717"], "id": "UniProtKB:Q9HCR9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBKQFUOYGOMALD-RXVVDRJESA-N", "SMILES:Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cocn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOTCFWLAEIRGKL-UNMCSNQZSA-N", "SMILES:Cc1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHKYRGGQPRITFC-SFTDATJTSA-N", "SMILES:Cc1ncc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NONWVMJYROEIFA-VXKWHMMOSA-N", "SMILES:Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYFGTMXTJBDJMC-VXKWHMMOSA-N", "SMILES:Cc1cc(F)c(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARBEESYXGLNFQ-FPOVZHCZSA-N", "SMILES:Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKBSXNGZUTBFE-NHTMILBNSA-N", "SMILES:CO[C@@H]1CCN(c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c(=O)n(C)c3C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGQHVVMXCXTSI-UNMCSNQZSA-N", "SMILES:Cc1c(Cc2ccc(-c3cscn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTPBAVROPHXMO-GOTSBHOMSA-N", "SMILES:Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSOQUCDHFOTPAX-UNMCSNQZSA-N", "SMILES:Cc1c(Cc2ccc(-c3cocn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRNLXJMSMJYHA-SFTDATJTSA-N", "SMILES:Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWZSBBNDQSMMJM-VXKWHMMOSA-N", "SMILES:Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPQUKWKUKEJQD-LTGZKZEYSA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHHPPPUAURYNPH-CJLVFECKSA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBIKZQWGHHXZTG-UKTHLTGXSA-N", "SMILES:CC/C(=N\\N=C(\\N)S)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAGGCAUDWZPBE-LTGZKZEYSA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccccc2)cs1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRJHQLDKKIGRGR-OQKWZONESA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccc(C)cc2)cs1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNMDEHWPWZZKMP-OQKWZONESA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccc(OC)cc2)cs1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSSQIHOVJSFMCJ-CJLVFECKSA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHUORFXLRBBCU-LTGZKZEYSA-N", "SMILES:CC/C(=N\\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGWMJFFBOGLFHK-XQNSMLJCSA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JELNFIMPFCOBAO-XQNSMLJCSA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVUOQOORKRXJBF-LKUDQCMESA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXZTTPZHSBCGQ-OQKWZONESA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccccc2)c(C)s1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSHWVRCRSZMJSE-HAVVHWLPSA-N", "SMILES:CC/C(=N\\Nc1nc(-c2ccc(Br)cc2)c(C)s1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMWSJFHRLRPBO-XDJHFCHBSA-N", "SMILES:CC/C(=N\\N=C(/S)Nc1ccccc1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQTXWWBGTDHSAT-UHFFFAOYSA-N", "SMILES:CCn1c(S)nnc1CSc1nc2ccccc2c(=O)n1CCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJTFRIRBVFGSRR-UHFFFAOYSA-N", "SMILES:CCNC(=S)NNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFBCHBZOJNOKLL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHVRFKZMNQDRCY-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccn1)NNC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBOORFVZFYBCNP-UHFFFAOYSA-N", "SMILES:CCC(=O)NNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQJJEKONQRALD-UHFFFAOYSA-N", "SMILES:NNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLUUDDUIGTFQD-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1CCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSLUIBBKXHVEQM-UHFFFAOYSA-N", "SMILES:CCSc1nc2ccccc2c(=O)n1CCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNVKGXYIMWMPQ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(S)n1CCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2368566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAILNONEKASNSH-ZEQRLZLVSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CF)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92708", "category": ["biolink:ChemicalEntity"], "name": "CALPEPTIN", "xref": ["InChIKey:PGGUOGKHUUUWAF-ROUUACIJSA-N", "SMILES:CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63440", "category": ["biolink:ChemicalEntity"], "name": "ALOXISTATIN", "xref": ["InChIKey:SRVFFFJZQVENJC-IHRRRGAJSA-N", "SMILES:CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C"], "synonym": ["Aloxistatin", "Aloxistatine", "Aloxistatina", "Loxistatin", "NSC-694281"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL423112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBKFLTYGSREKK-ANYOKISRSA-N", "SMILES:CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHXNRWSZSZFQO-WKALFTOFSA-N", "SMILES:COc1ccc(/C=C/C(=O)/C=C/c2ccc(O)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXRBRYSAKMACM-YZDOREHGSA-N", "SMILES:COc1ccccc1/C=C/C=C/C(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMCVFSDYJURTAK-JHMJBTLWSA-N", "SMILES:COc1ccccc1/C=C/C=C/C(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWUHTZAJEUVQTA-GZFKCFCKSA-N", "SMILES:CCOc1cc(O)ccc1C(=O)/C=C/C=C/c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVLJFHJNQFAJN-ZUVMSYQZSA-N", "SMILES:COc1cc(/C=C/C=C/C(=O)c2ccc(O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSJNYKSOKXGHIE-CSKARUKUSA-N", "SMILES:O=C(/C=C/c1ccc(O)c2ccccc12)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEQSJMQLUNMOD-YRNVUSSQSA-N", "SMILES:COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNAVGSHSMXDKPJ-UXBLZVDNSA-N", "SMILES:O=C(/C=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXCAMQJWRCMHRI-XYOKQWHBSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(O)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFOQSIDWYMLMP-YRNVUSSQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZGJKSEBRELAS-PEDHHIEDSA-N", "SMILES:CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPNMMKPWORVFJ-CSKARUKUSA-N", "SMILES:O=C(/C=C/c1ccc(O)c2ccccc12)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLBSFWSUKEUPF-GQCTYLIASA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccco2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACBGANPVNHGNP-RUDMXATFSA-N", "SMILES:COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4784996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQGAQNAZFBHQAB-XBXARRHUSA-N", "SMILES:COc1ccc(O)cc1/C=C/C(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYHUQKZBGFXCO-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2CN=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHOSAXJJTLUSIH-UHFFFAOYSA-N", "SMILES:CCCCCc1c(C(=O)NCCc2ccc(C(=O)c3ccccc3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMOHZHHGDYHUGR-UHFFFAOYSA-N", "SMILES:CCCCCCc1c(C(=O)NCCc2ccc(N=[N+]=[N-])cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZNFDIABUDRDO-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(C(=O)c3ccccc3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTQDARWFGPEFP-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMTHOCTWVPTPBX-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1c(C(=O)NCCc2ccc(C(=O)c3ccccc3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSDOJLMZIHOUDZ-UHFFFAOYSA-N", "SMILES:CCCCCCc1c(C(=O)NCCc2ccc(C3(C(F)(F)F)N=N3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQDOELMUWDIGTJ-ZBCMEMONSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQDOELMUWDIGTJ-FBWMHHRESA-N", "SMILES:CC(C)C[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUUWGNYWYQPCL-PVDTTYOVSA-N", "SMILES:CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUUWGNYWYQPCL-YMLJOGPASA-N", "SMILES:CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZNWUYWTVLQMZ-KCYGMNOSSA-N", "SMILES:CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@@H](C)C(=O)NCC(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZNWUYWTVLQMZ-OIFMFDPVSA-N", "SMILES:CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](C)C(=O)NCC(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTXPGTDKAFEPGS-XWDUBYFRSA-N", "SMILES:CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)NCC(=O)NCC(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWNOZKIKREYBG-WXWWPAJNSA-N", "SMILES:C/C=C1\\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDPAMBMCZNAPSO-LPZNKSAJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCn1cc(F)c(=O)[nH]c1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKMBTPLHFDXGY-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccncc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXNFSNKLNLTML-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1cccnc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIKPNWJFPZIEG-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccccn1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOIWMCKLADJVNH-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMOUNTYQKVWKLT-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPZUFWVTLYATO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccccc1C(F)(F)F)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SATYUJPMEVIREP-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccc(F)cc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEUBRJWCXGVXAM-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1cccc(F)c1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXOSZPBZRSVJMM-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccccc1F)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVALOOQKEWOVOD-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccc(Br)cc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVNMEGDKYDEZEZ-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1cccc(Br)c1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYSNNYCAGTQIS-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccccc1Br)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSRMSDOOKMXUGR-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPXFEDNRALTDRP-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1cccc(Cl)c1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYXLHZUPFGBLKA-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccccc1Cl)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRTDTGCYNXJBFL-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2C3CCC2CC(NC(=O)c2ccc4ccccc4c2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUVINUKZJWGVMG-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2C3CCC2CC(NC(=O)c2ccc4ccccc4c2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXOIOAMUXOSCPC-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN1C2CCC1CC(NC(=O)c1ccc3ccccc3c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBJZVMDTJBVGG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2C3CCC2CC(NC(=O)c2ccc4ccccc4c2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSXPWKNFNCOAO-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2C3CCC2CC(NC(=O)c2ccc4ccccc4c2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPWCWXQGLXTRS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1C2CCC1CC(NC(=O)c1ccc3ccccc3c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAINGJLAHUUKKM-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAAFXVBYENZECG-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUALVZIOMIIYHX-UFFVCSGVSA-N", "SMILES:O=C(c1ccccc1)n1cc(/C=N/n2cnnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBBMRTIYSYHNBF-LSHDLFTRSA-N", "SMILES:Cc1ccc(C(=O)n2cc(/C=N/n3cnnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXXRQLAGMACDMA-LSFURLLWSA-N", "SMILES:O=C(c1ccc(Cl)cc1)n1cc(/C=N/n2cnnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBRVOQNTMKLML-OGLMXYFKSA-N", "SMILES:Cc1c(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XURGLESUGRETAB-OGLMXYFKSA-N", "SMILES:Cc1c(/N=C/c2cn(C(=O)c3ccccc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCWJDLADUPZMK-STBIYBPSSA-N", "SMILES:Cc1ccc(C(=O)n2cc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMNXVJFACODTCJ-MUFRIFMGSA-N", "SMILES:Cc1c(/N=C/c2cn(C(=O)c3ccc(Cl)cc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3212526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLNHWPEWLAAOP-UFFVCSGVSA-N", "SMILES:C(=N/n1cnnc1)\\c1cn(Cc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACDXOVOYAHGXRI-LETRWZBTSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENUEMDQLQQVGX-BWQHEFHFSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHLBNYSZXLDEJQ-NFGXINMFSA-N", "SMILES:CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4756536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNELGUVPZVFXCB-UHFFFAOYSA-N", "SMILES:O=c1oc(OCCOCc2ccccc2)nn1-c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVSASTNOGBPBCG-UHFFFAOYSA-N", "SMILES:COCCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTYKAUOJKEMNR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHFOKWNUAZQUFM-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMGDVPKLHYBHM-UHFFFAOYSA-N", "SMILES:CCCCCCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTKITYWRNPRNFS-UHFFFAOYSA-N", "SMILES:CC(C)COc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWATDYOMXSUJF-UHFFFAOYSA-N", "SMILES:CCCCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPUUTKNZIZBSCJ-UHFFFAOYSA-N", "SMILES:CCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIBFTHHVGERKC-UHFFFAOYSA-N", "SMILES:CCCCC(CC)COc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHZDJSWZMZTHIZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBPWSXBBSLDLJS-UHFFFAOYSA-N", "SMILES:COc1nn(-c2ccccc2)c(=O)o1"]}
{"name": "Gastric triacylglycerol lipase", "xref": ["CHEMBL.TARGET:CHEMBL4802004"], "id": "UniProtKB:P04634", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDHCRGVTNXNJW-MSOLQXFVSA-N", "SMILES:CCCCCCCCCCCCCCC[C@H](O)[C@@H](COP(=O)(O)O)N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDHCRGVTNXNJW-ZWKOTPCHSA-N", "SMILES:CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O)N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDHCRGVTNXNJW-QZTJIDSGSA-N", "SMILES:CCCCCCCCCCCCCCC[C@@H](O)[C@@H](COP(=O)(O)O)N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDHCRGVTNXNJW-ROUUACIJSA-N", "SMILES:CCCCCCCCCCCCCCC[C@H](O)[C@H](COP(=O)(O)O)N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPUMZMRMRVULBQ-NVGHFZOBSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](COP(=O)(O)O)N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPUMZMRMRVULBQ-DNWQSSKHSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](COP(=O)(O)O)N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPUMZMRMRVULBQ-MCXRAWCPSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](COP(=O)(O)O)N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPUMZMRMRVULBQ-KRWOKUGFSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRDCOKJJQJXCMQ-XQQBDHJTSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)NCc1c(COP(=O)(O)O)cnc(C)c1O.CCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONKUXJXFGMXHPC-CLSOAGJSSA-N", "SMILES:CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O)NCc1c(COP(=O)(O)O)cnc(C)c1O.CCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXXQGVRVPNKPS-ZWKOTPCHSA-N", "SMILES:CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CP(=O)(O)O"]}
{"name": "Sphingosine-1-phosphate lyase 1", "xref": ["CHEMBL.TARGET:CHEMBL3826869"], "id": "UniProtKB:Q8CHN6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZJWDDMJDJBQKJ-UHFFFAOYSA-N", "SMILES:C=CC(N)(COP(=O)(O)O)C(O)CCCCCCCCCCCCCCC"]}
{"name": "Sphingosine-1-phosphate lyase 1", "xref": ["CHEMBL.TARGET:CHEMBL5009"], "id": "UniProtKB:Q8R0X7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYWFXIFINVXSA-GOSISDBHSA-N", "SMILES:OC[C@@H](Nc1ncnc2[nH]c(-c3ccccc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSDKMUJXCRATG-GOSISDBHSA-N", "SMILES:COc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEDTSCHBGABDQ-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHEXVCGIWQTXCY-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPQNFKJFRAQAV-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccc(C(N)=O)cc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSKGKFLVQJOKPI-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJIUVXHGKAMMX-CQSZACIVSA-N", "SMILES:CC(=O)Nc1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIKQXZXKAHGTFO-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccncc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXFHAZRNQGAISB-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccc(C(=O)O)cc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCOQVRBNUCNNCV-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3cccc(C(N)=O)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAUBIWZQEGWAKV-OAHLLOKOSA-N", "SMILES:CCOc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEXUWRGFSBKJC-MRXNPFEDSA-N", "SMILES:CC(C)Oc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFGGUYSYFOYOHB-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccccc3OC(F)F)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQMYELURIWZQSU-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccccc3OC(F)(F)F)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWYDZOGYPFSWHW-CQSZACIVSA-N", "SMILES:COc1cccc(OC)c1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQVJVVCJGKOPJA-CYBMUJFWSA-N", "SMILES:COc1cc(C(N)=O)ccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUAPZOBQPDJGAM-CQSZACIVSA-N", "SMILES:COc1cc(NS(C)(=O)=O)ccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUHLSANPPJFIP-GOSISDBHSA-N", "SMILES:COc1cc(CNCCN(C)C)ccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSDKMUJXCRATG-HLENTGRASA-N", "SMILES:[2H]C([2H])([2H])Oc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGOCGWIKFJGMTM-LJQANCHMSA-N", "SMILES:CCOc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKROQQUFNCLGRA-LJQANCHMSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPLQOYRLLWVJL-LJQANCHMSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJGGLDVWCTZNK-LJQANCHMSA-N", "SMILES:NC(=O)Cc1cccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWAQVWRGRJPDTR-GOSISDBHSA-N", "SMILES:COc1cc(C(N)=O)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIIKVLQCCBBGGR-LJQANCHMSA-N", "SMILES:COc1cc(NS(C)(=O)=O)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWSMMCGBICHHPS-HXUWFJFHSA-N", "SMILES:COc1cc(NC(C)=O)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVPROZYIDMHOY-QGZVFWFLSA-N", "SMILES:OC[C@@H](Nc1ncnc2[nH]c(-c3ccncc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVIZQBPTEOBVGM-QGZVFWFLSA-N", "SMILES:OC[C@@H](Nc1ncnc2[nH]c(-c3cccnc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFAKGHOLLNEFMN-QGZVFWFLSA-N", "SMILES:COc1cnccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCMCFSURPMSTA-HSZRJFAPSA-N", "SMILES:CN(C)CCNCc1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNUNYGJGIQGHMS-JOCHJYFZSA-N", "SMILES:COc1cc(CNCCS(C)(=O)=O)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPDGVJBWBHGXCW-HSZRJFAPSA-N", "SMILES:COc1cc(CNCCN(C)C)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQUQNUBTPJPQOX-RUZDIDTESA-N", "SMILES:COc1cc(CNCCN2CCOCC2)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTQUPPRBKSJHFU-AREMUKBSSA-N", "SMILES:COc1cc(CNCCN2CCCCC2)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMEGPZYEQXKMQM-RUZDIDTESA-N", "SMILES:COc1cc(CNCCN2CCNCC2)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSKMQVVNBHCIOJ-HSZRJFAPSA-N", "SMILES:CN(C)CCNCc1cc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMMWPUPIEDYCMF-LJQANCHMSA-N", "SMILES:OCc1cc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQZFLJRNIIHJT-HSZRJFAPSA-N", "SMILES:CN(C)CCNCc1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULUWNFSDBSAGBP-LJQANCHMSA-N", "SMILES:OCc1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQPVBMYTCAHJPA-XMMPIXPASA-N", "SMILES:COc1cc(CN(C)CCN(C)C)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQCYRVXQYWWSS-HXUWFJFHSA-N", "SMILES:COC[C@@H](Nc1ncnc2[nH]c(-c3ccc(CO)cc3OC)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGKLCDIOIRFOM-GOSISDBHSA-N", "SMILES:COC[C@@H](Nc1ncnc2[nH]c(-c3ccccc3OC(F)F)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWLWDWLLFXUHQ-GOSISDBHSA-N", "SMILES:OCC[C@@H](Nc1ncnc2[nH]c(-c3ccccc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHVVAUPCWEMMS-LJQANCHMSA-N", "SMILES:CCOc1ccccc1-c1cc2c(N[C@H](CCO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAPHFRRHZAKNTE-GOSISDBHSA-N", "SMILES:Cn1c(-c2ccccc2)cc2c(N[C@H](CO)c3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASIDLKFOKNOHS-LJQANCHMSA-N", "SMILES:COc1cc(CO)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUJFULDKIMTVNA-LJQANCHMSA-N", "SMILES:OCc1ccc(-c2cc3c(N[C@H](CO)c4ccccc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPSRRBIXFUMOU-JEDNCBNOSA-N", "SMILES:CC(C)C[C@H](N)C(N)=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVBYUHPFCQAAY-RGMNGODLSA-N", "SMILES:CONC(=O)[C@@H](N)CC(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDBCTDQYMZSQFQ-UHFFFAOYSA-N", "SMILES:NCC(=O)NO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4749347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPPIYLEDXCWGG-WCCKRBBISA-N", "SMILES:CSCC[C@H](N)C(=O)NO.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNXSDURIDUWVML-FHAQVOQBSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)NO.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJHFGSGZOVEOQX-JEDNCBNOSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NO.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBMAEBPZXXNKMZ-VIFPVBQESA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42336", "category": ["biolink:ChemicalEntity"], "name": "METHIONINE", "xref": ["InChIKey:FFEARJCKVFRZRR-BYPYZUCNSA-N", "SMILES:CSCC[C@H](N)C(=O)O"], "synonym": ["Methionine", "Methionine", "Methionine", "Metionina", "L-methionine", "Methionine", "NSC-22946", "Methionine", "L-methionine", "Methionine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1233584", "category": ["biolink:ChemicalEntity"], "name": "ISOLEUCINE", "xref": ["InChIKey:AGPKZVBTJJNPAG-WHFBIAKZSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)O"], "synonym": ["Isoleucine", "Isoleucina", "L-isoleucine", "FEMA NO. 4675", "ILE", "NSC-46708", "Isoleucine", "Isoleucine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL217863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMWEYVOEWNYSK-QMMMGPOBSA-N", "SMILES:N[C@@H](Cc1ccc(O)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWQMGESVWMBPAQ-QMMMGPOBSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQBRADSLPEODL-QMMMGPOBSA-N", "SMILES:N[C@@H](Cc1ccccc1)c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFLNRUFVZPRST-VIFPVBQESA-N", "SMILES:CS(=O)(=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMEXBARTDSXSIO-VIFPVBQESA-N", "SMILES:CS(=O)(=O)NC(=O)[C@@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1485", "category": ["biolink:ChemicalEntity"], "name": "ARGININE", "xref": ["InChIKey:ODKSFYDXXFIFQN-BYPYZUCNSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)O"], "synonym": ["Arginine", "Arginina", "L-arginine", "Arginine", "Arginine", "NSC-206269", "L-arginine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL502149", "category": ["biolink:ChemicalEntity"], "name": "ANABAENOPEPTIN H", "xref": ["InChIKey:FUQPCSMHHDRTPK-KUIUNYDASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCc2ccc(O)cc2)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4746522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWEIFQQRNGTQHC-HIGLYJDASA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](NC(N)=O)CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL555255", "category": ["biolink:ChemicalEntity"], "name": "ANABAENOPEPTIN 908", "xref": ["InChIKey:FPSCSFRHCCJLDN-ORCWKVIUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCc2ccc(O)cc2)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCNC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452077", "category": ["biolink:ChemicalEntity"], "name": "ANABAENOPEPTIN G", "xref": ["InChIKey:HXYYQLNMRLHXGK-KORPHNGVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCCNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCc2ccc(O)cc2)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL507859", "category": ["biolink:ChemicalEntity"], "name": "ANABAENOPEPTIN T", "xref": ["InChIKey:VYPFYBBXIZBMND-KUIUNYDASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCc2ccc(O)cc2)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O)C(=O)O"], "chembl_natural_product": true}
{"name": "Carboxypeptidase A1", "xref": ["CHEMBL.TARGET:CHEMBL3481"], "id": "UniProtKB:P00730", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTNICLJXPYLDAH-GOTSBHOMSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4788348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMSKLCEWBSPPY-IKVTXIKFSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4757291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKRJIZEQTTZMZ-MQMFZEHDSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=C[C@@]3(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKRJIZEQTTZMZ-SGYUKASKSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=C[C@]3(O)C(F)(F)F"]}
{"name": "G-protein coupled receptor 183", "xref": ["CHEMBL.TARGET:CHEMBL4802001"], "id": "UniProtKB:D4A7K7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "G-protein coupled receptor 183", "xref": ["CHEMBL.TARGET:CHEMBL3259471"], "id": "UniProtKB:Q3U6B2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMHNAKZMGJANZ-JZXLLNISSA-N", "SMILES:CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4788277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMHNAKZMGJANZ-DTTSCKGMSA-N", "SMILES:CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3311219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMSKLCEWBSPPY-CGSQRZAOSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4798808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IISDXUHWKOVMMD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(O)C#CC#CC(O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMWNDNHVLYKDT-UHFFFAOYSA-N", "SMILES:OC(C#CC#CC(O)C1CCCCC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYGALKEZSRNAZ-UHFFFAOYSA-N", "SMILES:CC(C)CC(O)C#CC#CC(O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCMJDJCVWZMVOD-UHFFFAOYSA-N", "SMILES:CCCC(O)C#CC#CC(O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SENMQUMOZNXZGK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(O)C#CC#CC(O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJHMOFINHIZMG-UHFFFAOYSA-N", "SMILES:OC(C#CC#CC(O)C1CCCCC1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMXVCJWIDSGHEU-UHFFFAOYSA-N", "SMILES:CC(C)CC(O)C#CC#CC(O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUMYKQSDESNAOR-UHFFFAOYSA-N", "SMILES:CCCC(O)C#CC#CC(O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUKBDITVPYXFG-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWKRJQOPWLYCX-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELHBXOHVOMXHC-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cc(OC)c(OC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHYSGXJIRJMLGP-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cc(OC)c(OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLOBPBPWGBZSA-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(OC)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKPNTQMSWWATG-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(OCc2ccccc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEFMFHOIXWESKS-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBKMUGHTPQQCD-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTYJLCFAZWIKY-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(OC)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIDVTWZHFZJXJD-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cc(Br)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWQPYRMDDCQEHG-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVCUAZWVHNMKKI-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTAAZVSNSWTSAM-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHZCYJIAGZIHLF-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLVODQTWINYEK-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFBNHVYPIOPIK-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMZJXFLKENHUAZ-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIOYJDOKXDWHO-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWHBPJSYRFSYQC-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLCGPVKGFDCNH-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLLKOYAPYFIREV-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOJEGBPQDACQA-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBKSKFCQKANZSV-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNQSONSKANAFP-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXZMPILHKXFVKB-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXSCVRVBKXTHJ-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXSFNWBZDHUIQ-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFZIKIPBIVNKD-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABKSHWLMGOZQAZ-UHFFFAOYSA-N", "SMILES:CCCCCC(O)C#CC#CC(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYYDVPCOJAQWPZ-SECBINFHSA-N", "SMILES:Nc1nc2nc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTFFRDVMHUKQB-SECBINFHSA-N", "SMILES:Nc1nc2nc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPGDIWMRACXGP-SNVBAGLBSA-N", "SMILES:Nc1nc2nc(C(=O)N[C@H](CCc3ccccc3)C(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHMFJMLQDPCOX-SECBINFHSA-N", "SMILES:Nc1nc2nc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUHROYSMKHJHZ-SCSAIBSYSA-N", "SMILES:Nc1nc2nc(C(=O)N[C@H](CO)C(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJTVJZGQSYORQ-IYSWYEEDSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVBODZFPBHNNL-ZCFIWIBFSA-N", "SMILES:CC(C)C[C@@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYPVWJJBIITGJ-ZCFIWIBFSA-N", "SMILES:CC(C)[C@@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTACAFKSUYFCPW-GSVOUGTGSA-N", "SMILES:C[C@@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZLJLZVXWBEGCE-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)c2ncc(C(=O)O)nc2[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4745089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQECXVHHJPXGJE-UHFFFAOYSA-N", "SMILES:Nc1nc2nc(C(=O)NCCCCCC(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIDVQGHOFAFYEC-UHFFFAOYSA-N", "SMILES:Nc1nc2nc(C(=O)NCCCCC(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJIPJXQAXRGLSQ-UHFFFAOYSA-N", "SMILES:Nc1nc2nc(C(=O)NCCCC(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZWBRNCEPPTIRR-UHFFFAOYSA-N", "SMILES:Nc1nc2nc(C(=O)NCCC(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYYDVPCOJAQWPZ-VIFPVBQESA-N", "SMILES:Nc1nc2nc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTFFRDVMHUKQB-VIFPVBQESA-N", "SMILES:Nc1nc2nc(C(=O)N[C@H](C(=O)O)c3ccccc3)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPGDIWMRACXGP-JTQLQIEISA-N", "SMILES:Nc1nc2nc(C(=O)N[C@@H](CCc3ccccc3)C(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHMFJMLQDPCOX-VIFPVBQESA-N", "SMILES:Nc1nc2nc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUHROYSMKHJHZ-BYPYZUCNSA-N", "SMILES:Nc1nc2nc(C(=O)N[C@@H](CO)C(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJTVJZGQSYORQ-FSPLSTOPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVBODZFPBHNNL-LURJTMIESA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYPVWJJBIITGJ-LURJTMIESA-N", "SMILES:CC(C)[C@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTACAFKSUYFCPW-VKHMYHEASA-N", "SMILES:C[C@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDYFAVFPXPHPZ-UHFFFAOYSA-N", "SMILES:Nc1nc2nc(C(=O)NCC(=O)O)cnc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRPZMLHRWYUDSA-KBLZJMLGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJANKCEYXKBAF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(NC(=O)C(c3ccccc3)S(=O)(=O)O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMQYIEOKGALPGV-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(=O)C(c3ccccc3)S(=O)(=O)O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCXAZJCNPUBKJB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIABOKZQJYOLHH-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NC(=O)C(c3ccccc3)S(=O)(=O)O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFYIUUJFOVIZGG-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTJKSENTSADCSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(Cl)cc2s1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJNRDYVDPGZTH-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(F)cc2s1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPIHNPXDRSEKPJ-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(NC(=O)C(c3ccccc3)S(=O)(=O)O)sc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQGVENSHMGOPGV-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NC(=O)C(c3ccccc3)S(=O)(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNJMELBAXREFR-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)C(c3ccccc3)S(=O)(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYEGDEFNLHKLPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2c(Cl)cccc2s1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INFMQQLKKJMTEL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)C(c1ccc(Br)cc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGIHSSPGGIXHSI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQCSHUQDPNFFCY-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)C(c1cccc(F)c1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRYUBUAPNAFCJK-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONDIAWAXPRNPRA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVZMUHLTRGYHA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHSZYAVPQKKIY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCVKVNGAWQJFL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENXDQPHRHGNCL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-n2ccnc2)cc1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAZXZTGNHQOZMH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMJPWMUVULWQOI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)C(c1ccccc1)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWUBYIFZVUOBSF-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(=O)(=O)O)cc1Br"]}
{"name": "RNA polymerase II subunit A C-terminal domain phosphatase SSU72", "xref": ["CHEMBL.TARGET:CHEMBL3317331"], "id": "UniProtKB:Q9NP77", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKWEQMDQWBRKI-LDZVPHBSSA-N", "SMILES:C/C1=C\\[C@H](OC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDQWSQOYKXCQL-JACLMBMMSA-N", "SMILES:C/C1=C\\[C@H](OC(=O)Nc2cccc(C(F)(F)F)c2)C[C@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRSSNTPAOWQING-LDZVPHBSSA-N", "SMILES:C/C1=C\\[C@H](OC(=O)Nc2cc(Cl)cc(Cl)c2)C[C@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHLZTUSZJIBBN-JACLMBMMSA-N", "SMILES:C/C1=C\\[C@H](OC(=O)Nc2cccc(Cl)c2)C[C@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVKDDXPCFBMOV-PTDQARIVSA-N", "SMILES:C/C1=C\\[C@H](O)C[C@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4789991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRRMFLABBXMPG-DHTSOJEISA-N", "SMILES:O=C1c2ccccc2C(=O)C12N1CSC[C@@H]1[C@@H](c1cccs1)[C@@]21CSc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDIXEUXCIBASI-LMGPPYNSSA-N", "SMILES:O=C1c2ccccc2C(=O)C12N1CSC[C@@H]1[C@@H](c1cccc3ccccc13)[C@@]21CSc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYEGNOWTUWSIDZ-WHCXKFMVSA-N", "SMILES:O=C1c2ccccc2C(=O)C12N1CSC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)[C@@]21CSc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKWCIQLGTWSPA-WHCXKFMVSA-N", "SMILES:O=C1c2ccccc2C(=O)C12N1CSC[C@@H]1[C@@H](c1ccccc1Cl)[C@@]21CSc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOZBTVTACLJDS-WHCXKFMVSA-N", "SMILES:O=C1c2ccccc2C(=O)C12N1CSC[C@@H]1[C@@H](c1cccc(Br)c1)[C@@]21CSc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPCJSDMYVQSWBN-WHCXKFMVSA-N", "SMILES:O=C1c2ccccc2C(=O)C12N1CSC[C@@H]1[C@@H](c1cccc(F)c1)[C@@]21CSc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXOSYALHTUWIFI-MBEZDYHHSA-N", "SMILES:COc1ccc([C@@H]2[C@H]3CSCN3C3(C(=O)c4ccccc4C3=O)[C@]23CSc2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPQAEROLFFFIO-DHDFKREGSA-N", "SMILES:CC(C)c1ccc([C@@H]2[C@H]3CSCN3C3(C(=O)c4ccccc4C3=O)[C@]23CSc2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZVLRREAJLPPA-MBEZDYHHSA-N", "SMILES:Cc1ccc([C@@H]2[C@H]3CSCN3C3(C(=O)c4ccccc4C3=O)[C@]23CSc2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDITFPNOHYJHU-WHCXKFMVSA-N", "SMILES:O=C1c2ccccc2C(=O)C12N1CSC[C@@H]1[C@@H](c1ccccc1)[C@@]21CSc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCQQXZRAZLNMAM-WHCXKFMVSA-N", "SMILES:O=C1c2ccccc2C(=O)C12N1CSC[C@@H]1[C@@H](c1ccc(Br)cc1)[C@@]21CSc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFQDGEKLNDIFMZ-WHCXKFMVSA-N", "SMILES:O=C1c2ccccc2C(=O)C12N1CSC[C@@H]1[C@@H](c1ccc(Cl)cc1)[C@@]21CSc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGZYGWRUUPXCJN-WHCXKFMVSA-N", "SMILES:O=C1c2ccccc2C(=O)C12N1CSC[C@@H]1[C@@H](c1ccc(F)cc1)[C@@]21CSc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBWYTYVXEYERNW-MHECFPHRSA-N", "SMILES:CN1C[C@@H](c2cccs2)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHCVAUTCYJNIR-SETSBSEESA-N", "SMILES:CN1C[C@@H](c2cccc3ccccc23)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBCQDUXVPBWZFJ-RXFWQSSRSA-N", "SMILES:CN1C[C@@H](c2ccc(Cl)cc2Cl)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INXVSGLSCYSPBK-RXFWQSSRSA-N", "SMILES:CN1C[C@@H](c2ccccc2Br)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIJFZRHSHYOLLN-RXFWQSSRSA-N", "SMILES:CN1C[C@@H](c2ccccc2Cl)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFGDKYOYHAYQLW-HFZDXXHNSA-N", "SMILES:CN1C[C@@H](c2cccc(Br)c2)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHZQGCCBEUSWCK-HFZDXXHNSA-N", "SMILES:CN1C[C@@H](c2cccc(F)c2)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLYZXNTRNWQPR-WXVAWEFUSA-N", "SMILES:COc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23CSc2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTXCMLMOAISQKG-PWUYWRBVSA-N", "SMILES:CC(C)c1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23CSc2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLYOLGNUKIZDF-WXVAWEFUSA-N", "SMILES:Cc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23CSc2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZQIWOOECDNIBW-HFZDXXHNSA-N", "SMILES:CN1C[C@@H](c2ccccc2)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOPBJFJXRNGJY-HFZDXXHNSA-N", "SMILES:CN1C[C@@H](c2ccc(Br)cc2)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRVTWFYETVGLLP-HFZDXXHNSA-N", "SMILES:CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTCEKHMKLVONG-HFZDXXHNSA-N", "SMILES:CN1C[C@@H](c2ccc(F)cc2)[C@@]2(CSc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYXNYQAJSYUYNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc3nnc(SCC(=O)Nc4ccc5c(c4)OCO5)n23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQIMTZXWCIRNI-UHFFFAOYSA-N", "SMILES:COc1ccccc1Sc1c[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWAQPDJRYQIHIS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Sc2c[nH]c3c(Cl)c(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWGAWFWBIHHSW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Sc2c[nH]c3cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRLLVVPZGSKBS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Sc2c[nH]c3cccc(Cl)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAALMQXNXKYVFC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Sc2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZCMPHNNGPUKN-UHFFFAOYSA-N", "SMILES:COc1cc(Sc2c[nH]c3ccc(Cl)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNAAVMXZKHHBQX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Sc2c[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACQUKJRUOFEFV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Sc2c(C)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJNFDKXNCYNJAV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Sc2c[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UICYSRMLWHIXSL-UHFFFAOYSA-N", "SMILES:COc1ccccc1Sc1c[nH]c2ccc(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWRIDEDTCSBMAK-UHFFFAOYSA-N", "SMILES:COc1ccccc1Sc1c[nH]c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZESMXPZLJXGLL-UHFFFAOYSA-N", "SMILES:COc1ccccc1Sc1c[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXSJYXPEMOZAL-UHFFFAOYSA-N", "SMILES:Cc1cccc(Sc2c[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFALYEKKZVDXMG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Sc1c[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMBBFFGJDAEUCN-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2c[nH]c3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPKCZVRVMAPBB-UHFFFAOYSA-N", "SMILES:COc1cccc(Sc2c[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVFPKGSHNDYCE-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cc1c[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNMECGEARCZJX-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(Oc2cccc(F)c2)sc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUIDCAZJWNGIJ-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(Oc2cccc(F)c2)sc1C(=O)NCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAOFCLTAGCTAU-HXUWFJFHSA-N", "SMILES:O=C(N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVUALQGCXGULB-UHFFFAOYSA-N", "SMILES:CC(C)COc1nc(NC(=O)C(=O)O)c(C(=O)Nc2ccc3ccccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXNQHXXVPKDQD-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2cc(F)ccc2F)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHJGEMPYUHBIB-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1Oc1nc(NC(=O)C(=O)O)c(C(=O)Nc2ccc3ccccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOYSZUILYISANI-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c(Oc2nc(NC(=O)C(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOOSMXGIDHYDI-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2ccccc2C(F)(F)F)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDDSGUVYBVXLET-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2cccc(C(F)(F)F)c2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTNFJEPLJDWHSO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Oc2nc(NC(=O)C(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGCYEIVAEIZSAD-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2ccccc2Cl)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBFCZYNTFMWCX-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2cccc(Cl)c2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHYABEIRVRAENZ-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2ccccc2F)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTYCASXHFLOLBJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1nc(NC(=O)C(=O)O)c(C(=O)Nc2ccc3ccccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POPWRJFPMPJOQV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2nc(NC(=O)C(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUWYHODFDFERF-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2nc(NC(=O)C(=O)O)c(C(=O)Nc3ccc(-c4ccccc4)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVPPSAVKCXREBE-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2ccccc2)sc1C(=O)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVFBLFISRDPCCQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2nc(NC(=O)C(=O)O)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHADZLPNIZBOC-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2ccccc2)sc1C(=O)Nc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTUPKQVDHALGD-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2nc(NC(=O)C(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITMNQQJJCKBPH-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2cccc(F)c2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUFYGRXVPYDVQJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2nc(NC(=O)C(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBDXIBNOANMJOI-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2ccccc2)sc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEDVOQWTFAEMIN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1nc(NC(=O)C(=O)O)c(C(=O)Nc2ccc3ccccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYBCFEMLSXFATQ-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2cccc(F)c2)sc1C(=O)NCCc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJCPISSDDIGOI-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1nc(Oc2cccc(F)c2)sc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJPHXFANUCFST-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Oc1nc(Cl)ncc1NC(=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJKFZHPVVVLIY-QGZVFWFLSA-N", "SMILES:N#C[C@]1(Cc2ccc(O)cc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJKFZHPVVVLIY-KRWDZBQOSA-N", "SMILES:N#C[C@@]1(Cc2ccc(O)cc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRXLJYMKZFZBV-LBPRGKRZSA-N", "SMILES:Oc1ccc(C[C@@H]2CCc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRXLJYMKZFZBV-GFCCVEGCSA-N", "SMILES:Oc1ccc(C[C@H]2CCc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSJRNSBDYMOLDK-UHFFFAOYSA-N", "SMILES:N#CCC1(Cc2ccc(O)cc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYWQJDQZNEBGT-UHFFFAOYSA-N", "SMILES:Cc1cc(CC2(C#N)CCc3cc(O)ccc32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEFJAKQCXGIQPQ-UHFFFAOYSA-N", "SMILES:N#CC1(Cc2ccc(O)c(Cl)c2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXPLELBTPYADS-UHFFFAOYSA-N", "SMILES:N#CC1(Cc2ccc(O)c(F)c2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTWDQJLEGOKEG-UHFFFAOYSA-N", "SMILES:Cc1cc(O)ccc1CC1(C#N)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRXBSFHJNTCCO-UHFFFAOYSA-N", "SMILES:N#CC1(Cc2ccc(O)cc2Cl)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZGZQMCILPGGL-UHFFFAOYSA-N", "SMILES:N#CC1(Cc2ccc(O)cc2F)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJKFZHPVVVLIY-UHFFFAOYSA-N", "SMILES:N#CC1(Cc2ccc(O)cc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXWZFIJZJHJHJO-UHFFFAOYSA-N", "SMILES:CCCCC1(Cc2ccc(O)cc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJZGTVYIUCWPDT-UHFFFAOYSA-N", "SMILES:CCCC1(Cc2ccc(O)cc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVZCRUVHMEVEW-UHFFFAOYSA-N", "SMILES:CCC1(Cc2ccc(O)cc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROKDZTWHXYGGTD-UHFFFAOYSA-N", "SMILES:CC1(Cc2ccc(O)cc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWPUJQGVVMQEU-UHFFFAOYSA-N", "SMILES:CCC(c1ccc(O)cc1)C1CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHRKDGZAIJBRDN-UHFFFAOYSA-N", "SMILES:Oc1ccc(CC2CCCCc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHWWSRMBBXSCG-UHFFFAOYSA-N", "SMILES:Oc1ccc(CC2CCCc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNRGTROSZBGQB-UHFFFAOYSA-N", "SMILES:Oc1ccc(CC2CCc3ccc(O)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGISUJUESMMGRF-UHFFFAOYSA-N", "SMILES:Oc1ccc(CC2CCc3c(O)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNBMGBSLFLDHDP-UHFFFAOYSA-N", "SMILES:Oc1cccc(CC2CCc3cc(O)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRXLJYMKZFZBV-UHFFFAOYSA-N", "SMILES:Oc1ccc(CC2CCc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549654", "category": ["biolink:ChemicalEntity"], "name": "ISOBUTESROL", "xref": ["InChIKey:FUDQLRPZZUAHBX-UHFFFAOYSA-N", "SMILES:CCC(Cc1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URFNSYWAGGETFK-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCc2ccc(O)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4741871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFDAJQVMJHRFT-LZCJLJQNSA-N", "SMILES:O=C(/C=C/c1ccsc1)c1ccc(OCC2CS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKBJMQBQOGDTJO-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1ccco1)c1ccc(OCC2CS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXFAKGORQCZCRM-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1ccco1)c1cccc(OCC2CS2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMJXJCHTUTEMN-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1ccco1)c1ccccc1OCC1CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLWXXWELCAMQC-LZCJLJQNSA-N", "SMILES:O=C(/C=C/c1ccsc1)c1ccc(OCC2CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSTUZYVQUDWAFC-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1ccco1)c1cccc(OCC2CO2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYEDJZKEIYQEGF-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1ccco1)c1ccccc1OCC1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSQKWWJOJNPNQM-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(Cl)cncc1Cl)c1csc(-c2ccc(OC(F)F)c3oc4ccccc4c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNWATXOZJRJYNU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(CCC(=O)Nc3c(Cl)cncc3Cl)cs2)c2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPGCSRMWXOLNX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(=O)N3CCN(c4ccccn4)CC3)cs2)c2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGQLTUVIHJUWQJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(=O)N3CCN(c4ncccn4)CC3)cs2)c2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEKOCLPVPJMKO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(=O)Nc3c(Cl)cncc3Cl)cs2)c2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAGLCSHEZLIPME-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(N)=O)cs2)c2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKWVCZQLBYLUGC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(=O)O)cs2)c2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWYUXTOWWKMWBI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(-c3ccc(OC)c4oc5ccccc5c34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJIUQXVNBJXABY-UHFFFAOYSA-N", "SMILES:CONC(=O)c1nc(-c2ccc(OC(F)F)c3oc4ccc(NS(C)(=O)=O)cc4c23)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWKSJIDTPCVZHN-UHFFFAOYSA-N", "SMILES:Cc1sc(-c2ccc(OC(F)F)c3oc4ccc(NS(C)(=O)=O)cc4c23)nc1C(=O)NC1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTYKVMQSQQMKMU-UHFFFAOYSA-N", "SMILES:Cc1sc(-c2ccc(OC(F)F)c3oc4ccc(NS(C)(=O)=O)cc4c23)nc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTASANPSWVRRB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(C(=O)NC5CCC(O)CC5)cs4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPFOIYAQLCZEI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(C(=O)Nc5c(Cl)cncc5Cl)cs4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGQODBURBHYPZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(C(=O)NC5CCC(O)CC5)cs4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEMSETMFVLPOFV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(C(=O)O)cs4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFVHHPDTJUZEY-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC(O)CC1)c1csc(-c2ccc(OC(F)F)c3oc4ccc(C(F)(F)F)cc4c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGHBEYVMCNWEH-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc(-c2ccc(OC(F)F)c3oc4ccc(C(F)(F)F)cc4c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWEYPUJMQDCRGE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC(O)CC1)c1csc(-c2ccc(OC(F)F)c3oc4ccccc4c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYGQXGXPXRLCEN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)c(C)s2)c2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTOMKPYIYJYMBV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)cs2)c2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTIQTCPQUYEFM-KNDPKJHZSA-N", "SMILES:Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOBXMFYYNGDCFU-GKYHLXMRSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWWYYRQZRJLHU-KMUKYJBTSA-N", "SMILES:Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICDZWJWUUSBTF-OZMURRIBSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAVVASQPMQMZER-KNDPKJHZSA-N", "SMILES:Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTZJLWFULMKGIZ-BDSZUSOGSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIYSTYUGXTVTHE-SSNNPUIESA-N", "SMILES:Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGQOQNDODXNHW-LQDUMDOSSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1cccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTXIWXRPYKCFE-KQQMQGIYSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPXNWVXTASQGZ-LQDUMDOSSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNSLDNOQCRUOZ-NZKHRDNMSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1"]}
{"name": "C-C chemokine receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL3217397"], "id": "UniProtKB:P61813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9544"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQBGAVLFMCLSP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1CCCCC1)Nc1cccc2c1C(=O)c1cccc3ccnc-2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLUIBZYXBXGXJP-UHFFFAOYSA-N", "SMILES:O=C(CCCCN1CCCCC1)Nc1cccc2c1C(=O)c1cccc3ccnc-2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZTZOAPYYYPTQ-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCCCC1)Nc1cccc2c1C(=O)c1cccc3ccnc-2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSWFIWWSCHUBW-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1cccc2c1C(=O)c1cccc3ccnc-2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNBXPWCRLPUQE-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1cccc2c1C(=O)c1cccc3ccnc-2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYESZOMYWKECAM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1CCCCC1)Nc1c(Cl)ccc2c1-c1nccc3cccc(c13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYGTCNSGBRUEH-UHFFFAOYSA-N", "SMILES:O=C(CCCCN1CCCCC1)Nc1c(Cl)ccc2c1-c1nccc3cccc(c13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDCSMVEOKXEAY-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCCCC1)Nc1c(Cl)ccc2c1-c1nccc3cccc(c13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSWGZBWZJFTVPM-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1c(Cl)ccc2c1-c1nccc3cccc(c13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVFMMGFPUNSOA-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1c(Cl)ccc2c1-c1nccc3cccc(c13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXWZOXSWDZDPK-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUPIWGXFGQTEAU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(Br)s4)cc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOSWAHOEAZDEAL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(Cl)s4)cc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFOYJSEPPNFQZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4cccs4)cc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDNWXGUHVFDOI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccco4)cc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPRUIMSRMFGNY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(C)cc4)cc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRQXGMVEWZKZPV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(F)(F)F)n3nc(C4CC4)cc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTTTYVUXULYHX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(C(F)(F)F)n3nc(-c4cccs4)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTGFIRRMSACIPX-UHFFFAOYSA-N", "SMILES:Cc1ncccc1NC1CCCS(=O)(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPSUOFEQKCPHZ-UHFFFAOYSA-N", "SMILES:Cc1ncccc1NC(C)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHXCHKMTMFQWLX-UHFFFAOYSA-N", "SMILES:Cc1ncccc1NC(C)c1cnc2ccsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILIMRWTGUOTTJ-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)NCCc1cc(O)c(O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCPJUJMRGNXMW-UHFFFAOYSA-N", "SMILES:CCN(C(C)=O)c1ccc(Cc2ccc(CCNC(C)=O)cc2C)cc1C(C)C"]}
{"name": "Trace amine-associated receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4908"], "id": "UniProtKB:Q923Y8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEKSPEFUSOTCAC-UHFFFAOYSA-N", "SMILES:CCN(C(C)=O)c1ccc(Cc2ccc(CCN)cc2C)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTOLFXKMLZNNX-UHFFFAOYSA-N", "SMILES:CCNc1ccc(Cc2ccc(CCN)cc2C)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAAIXJYFARWPV-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCN)cc(C)c1Cc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKQRFAGWBLJJIY-UHFFFAOYSA-N", "SMILES:Cc1cc(CCN)cc(C)c1-c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRQSHYMWUVXIIT-UHFFFAOYSA-N", "SMILES:Cc1cc(CCN)ccc1-c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFAWJKWFUWYDL-UHFFFAOYSA-N", "SMILES:Cc1cc(CCN)cc(C)c1Cc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLAOLAKASHDNQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Cc2ccc(CCN)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLOPQBZFUMRJN-UHFFFAOYSA-N", "SMILES:Cc1cc(CCN)ccc1Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHNLVRKFUQXPHH-UHFFFAOYSA-N", "SMILES:Cc1cc(CCN)ccc1Cc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3580902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKKXITDVHTUHMM-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCN)ccc1Cc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3580901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPSVLRSTQCAHQ-UHFFFAOYSA-N", "SMILES:NCCOc1ccc(Cc2ccc(N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1182312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIINYOJWNGOUPF-UHFFFAOYSA-N", "SMILES:NCCc1ccc(Oc2ccc(O)cc2)c(I)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4530341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSRLALWNRZNIR-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)N3CCC(N)C3)cc2)nc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJVEQUTYMMVFV-UHFFFAOYSA-N", "SMILES:CC(C)(C)N1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4ccc(C(F)(F)F)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGSEXNAJXBRDM-UHFFFAOYSA-N", "SMILES:CN1CCCN(C(=O)c2ccc(-c3cnc(N)c(-c4ccc(C(F)(F)F)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGOFGCMPKAWHEZ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSGKPYRFWJINEH-UHFFFAOYSA-N", "SMILES:COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYBNARZBIXTFJS-UHFFFAOYSA-N", "SMILES:COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VONVAHFLRYRXSJ-UHFFFAOYSA-N", "SMILES:COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4F)c3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRICXRVXVFZMF-UHFFFAOYSA-N", "SMILES:COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4F)c3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKKQBJQERVCTD-UHFFFAOYSA-N", "SMILES:COC(=N)c1nc2ccc3ncnc(Nc4ccc(C)cc4)c3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3596963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUFOQGJUHERLT-CMDGGOBGSA-N", "SMILES:COC(=O)c1c(O)cc(OC)cc1/C=C/c1ccccc1"]}
{"name": "Chondroitin sulfate N-acetylgalactosaminyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL2040705"], "id": "UniProtKB:Q8TDX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3596977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDYDSQPCFQSLH-ZHACJKMWSA-N", "SMILES:COc1cc(/C=C/c2ccccc2)c(C(=O)O)c(O)c1CC=C(C)C"], "chembl_natural_product": true}
{"name": "Nuclease P1", "xref": ["CHEMBL.TARGET:CHEMBL4802006"], "id": "UniProtKB:P24289", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5077"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQYPPHVIIQBZKA-QPMBAPTHSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]3[C@@H](F)[C@H](n4cnc5c(O)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEHEZDHRLNQIK-IRYAPSAPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(S)O[C@H]3[C@@H](F)[C@H](n4cnc5c(O)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBNULQXUGGEMOY-XPWFQUROSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(O)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPSNOLQNDOWJF-XPWFQUROSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAEJKTUPWJXHEZ-PRSXHHODSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1C[C@@H]2OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL71263", "category": ["biolink:ChemicalEntity"], "name": "VADIMEZAN", "xref": ["InChIKey:XGOYIMQSIKSOBS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C"], "synonym": ["Vadimezan", "Vadimezan", "AS-1404", "ASA-404", "ASA404", "DMXAA", "NSC-640488"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4752156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOHTYTWCUFTHSD-CBAZNMGYSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1C[C@@H]2OP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(O)ncnc54)[C@H](F)[C@@H]3OP(=O)(S)OC[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULGIEVPXCNQLQ-XPWFQUROSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(O)ncnc54)O[C@@H]3COP(=O)(O)O[C@@H]1[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRDGKCXMHCGFJR-XPWFQUROSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]1[C@@H]2O)O[C@H]3n1cnc2c(O)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDZKVGFWMKZAM-ZILBRCNQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(O)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]2[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAIOAMRVKJBOSB-JMMIKBGYSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(O)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVCLYQLZVZISM-JMMIKBGYSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1C[C@@H]2OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)ncnc54)[C@H](F)[C@@H]3OP(=O)(O)OC[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCQKSXCNYMPTRH-PHFRMGDHSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2C3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMCOYWUQASMHQE-CIXHJIQDSA-N", "SMILES:CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQQKKQSOSJUFO-LAQPOOPWSA-N", "SMILES:CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKHHNIBEVCHFM-AAZCXRPTSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXABJILOMKVOP-PMPNJECKSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFIGBGLRVMLOK-BPAOWUMVSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCOVCAGNAHMOR-GVKIOOOMSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYPIHXVIAPFRW-PSABTTIRSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZRODSPSJRAKJT-LXOXETEGSA-N", "SMILES:NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQLFZRCGXDOJL-FLIXOAOSSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSGPRUKPHJUUAI-FLIXOAOSSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJCYSTGPTPJPLG-QBCKSJLUSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIJWEGIIFXBKT-LXJAOZTISA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHJNYCPSPDKEK-LBKVYCCMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUZNUDCFITGHW-PCMWHEESSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTLNXOTXIHLBGT-QKJRCVJOSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABWNJFLTVQWLP-QAXFCUNSSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHCHYBNTDMCXJL-BPAOWUMVSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEWOSKAMPUXEGW-BPAOWUMVSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSIFXQDHUWTUKW-DLXWRWKMSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKIKPLPYOYMOM-USJMABIRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLPFBPCYWSSHO-LOWSNRHLSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDWCKAHALLUIE-MXGZSICKSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHRDPFDNNVFQLX-AMVSKTNXSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSRTWFHOAHPPR-MGQPXDLZSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRKKUBGNVBMRDR-YRVFCXMDSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNOWJGLJRIHCF-DLXWRWKMSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CS)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWHFQQUOOQBDX-DATVRVMLSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBMGAJLEFPYNK-DATVRVMLSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(S(=O)(=O)O)c1)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWQAECBEWIJLD-FRKUIUOFSA-N", "SMILES:CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWQAECBEWIJLD-HRKOECRMSA-N", "SMILES:CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQQKKQSOSJUFO-QOWIWEFOSA-N", "SMILES:CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMCOYWUQASMHQE-OGTJYKCWSA-N", "SMILES:CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](N)CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFQDCKGFBIRPS-YRCZKMHPSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGUBKMRCJPQIQS-YAAJHLMFSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OCCC42CC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELUICQHKUXLAP-LIZIHURRSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OCCC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJSXSUBKRGDND-GDFUTXNQSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OCCC4(F)F)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZVFPOGABQOOA-XTQBTSKUSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OCC[C@@H]4C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZVFPOGABQOOA-HFXMOKPBSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OCC[C@H]4C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNOEVSBDLYSNN-LIZIHURRSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OC(C)(C)C4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHPACQSPFGFMQM-HFXMOKPBSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)O[C@H](C)CC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHPACQSPFGFMQM-XTQBTSKUSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)O[C@@H](C)CC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPGWXQIZFSRIB-SZDJBFPISA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OC(F)(F)O4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKPHAUNYEWMOME-BMXWKGGYSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OCO4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLZZSRTJRXRNY-GDFUTXNQSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OCC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQGHNBBGKJMJH-MDIMQYHWSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4cccnc4c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRNCDSAVKEYOM-PTUGCEBGSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2cccc4ccccc24)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUOVSBGMRGQTLK-PTUGCEBGSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4ccccc4c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXHOBOEBQXXDO-ZIEJMRAYSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)OC(c2ccc(-c4ccccc4)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IROXEJUPIAHIKR-ZIEJMRAYSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)OC(c2cccc(-c4ccccc4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMRDJTQTNBXZGH-IMXQFVCOSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNRWRAKOWRNQR-YAAJHLMFSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OC(C)(C)CC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPROEYNYWNJHCO-IHJYKHFOSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)CC2CC2(C)O4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNGYWSRUOMMBY-YAAJHLMFSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)CCC(C)(C)O4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCXUIGDZTWWJA-XTQBTSKUSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)CC[C@H](C)O4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCXUIGDZTWWJA-HFXMOKPBSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)CC[C@@H](C)O4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMDODGBODVGPA-WWIYRSTNSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OCC(=O)N4C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOQNPOOOVESBL-MFXFFEOQSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)OCC(=O)N4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRUGLPFKAYLCJ-WWIYRSTNSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4oc(=O)ccc4c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFIYFVNOBZODKX-MDIMQYHWSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)COCC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEFZCSFIEMHKDA-LIZIHURRSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)CCCO4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJESCNUCYSRUJR-QSGJOOOQSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)COC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQTCIHMJXXIRCR-PTUGCEBGSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2ccc4c(c2)CCCC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJDXTIIVDFXZJL-MDIMQYHWSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)OC(c2cccc4c2CCC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKBCMJYQMWAFCX-KWIWMOKLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZXNMRSOUHRAB-AJUYTZQHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMAPHLUZSKKZIP-AUSZWPCGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXBTWOVLKURNIB-VGXZEHLRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEQOWHBGVITHJY-LQSFIQEVSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTVCUSYFBNSHSI-HFNQZEBGSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVCSXHKGJTBHB-QXJCOAFKSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVCSXHKGJTBHB-LQSFIQEVSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCYXABJMXXRCGK-KNYBTUCZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTMHRCTXZNYSIX-IVIUVZLUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIXBLNINVHGOFN-NJFSYGJFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEGQLNMUJOVTKQ-AECWIZBESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILKPOIXWHKKYRB-NJFSYGJFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKQRJPBKUMUYJS-RDUCGPRXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOINVTPNMVFXLH-RDUCGPRXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMSWYURKRGZIH-NWBNRONCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJAOUBQLSWUNX-QFIUEGLPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438223", "category": ["biolink:ChemicalEntity"], "name": "DYNORPHIN A (1-11)", "xref": ["InChIKey:WZHQALIQGVYQGG-QFIUEGLPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405618", "category": ["biolink:ChemicalEntity"], "name": "ANALOG OF DYNORPHIN A", "xref": ["InChIKey:OVVIBUHLQIYUEU-IWIISZHXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKYKQNZEVJKQC-WJYGCBBBSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTJWDFVHKLONF-LJDFNAPDSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQSLXCSWOBYML-AUGWDWRRSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLDGEVEPFCIIL-FZUWRBLYSA-N", "SMILES:CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLDGEVEPFCIIL-GSOVCQGVSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQSLXCSWOBYML-MCRGWJRVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXVFNGJUPLAIL-IELUGKPASA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJFRRMYKCDZQBE-GSOVCQGVSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXIHVNTCSDRKD-LEFBFSETSA-N", "SMILES:CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOIEGJLZBHAJU-QMXSTJOVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZNULEYOIMBGML-GSOVCQGVSA-N", "SMILES:CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788758", "category": ["biolink:ChemicalEntity"], "name": "OMILANCOR", "xref": ["InChIKey:MVHWZNBAQIGPOQ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2nc3ccccc3[nH]2)n1)N1CCN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)n2)CC1"], "synonym": ["Bt-11", "Omilancor"]}
{"name": "LanC-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4802018"], "id": "UniProtKB:Q9JJK2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "LanC-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3351212"], "id": "UniProtKB:Q9NS86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPZNQBUHBQCLJ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2nc3ccccc3[nH]2)n1)N1CCN(C(=O)c2cccc(-c3nc4ccccc4o3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLMAIMTZINBLI-ZZXKWVIFSA-N", "SMILES:O=C1CC=C(/C=C/c2ccc(C(=O)O)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHJROXZXWWOWGQ-QPJJXVBHSA-N", "SMILES:O=C1CCC(O)(/C=C/c2cccc(C(=O)O)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBMNXIQPPVVJO-AGFSROSKSA-N", "SMILES:O=C(NCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccc(S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEDLBCRPVDJPRL-SCFUHWHPSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CN=C=S)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBDGFBJMKRHNZ-UMCMBGNQSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CNC(=S)Nc5ccc(N=C=S)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGNGRXWZPWZGGS-ZGPWSGRESA-N", "SMILES:O=C(NCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)C1=CC2C=CC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBXFZMSPAHHPQ-QTQZEZTPSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCN=C=S)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSCULPPIQFUALJ-TXJANDSUSA-N", "SMILES:O=C(NCCCCCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGUISRKYNLBSC-VBHAUSMQSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCNC(=S)Nc4ccc(N=C=S)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHIPETZJOKCSCR-MUKWLTJGSA-N", "SMILES:O=C(NCCCCCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1=CC2C=CC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVIFZCXGNNLXDH-DYVMYPEFSA-N", "SMILES:O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOIVEYIXESKXFB-LSCFUAHRSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCCCCCN=C=S)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZDNZLFYKYLAV-ZDXOVATRSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCCCCCNC(=S)Nc4ccc(N=C=S)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTBZJHWTVBBFU-SOVKVXODSA-N", "SMILES:O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1=CC2C=CC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPVRXFIEFYLRW-QYVSTXNMSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCN=C=S)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPMPYYCZOXFFOH-NVQRDWNXSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCNC(=S)Nc4ccc(N=C=S)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL327708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLGXHIRSHTRPQ-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZNJGHIKXAKQE-HDJSIYSDSA-N", "SMILES:O[C@H]1CC[C@H](Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4790712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCUQKBZNPZADL-QDBRMXEESA-N", "SMILES:COC(=O)[C@@H]1C=C(OC(=O)c2ccc(OC)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTUMWRAXOXSCC-QDBRMXEESA-N", "SMILES:COC(=O)[C@@H]1C=C(OC(=O)c2cccc(OC)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCCUQKOWUZLFX-JXSGGZGWSA-N", "SMILES:COC(=O)[C@@H]1C=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRIZBODPEAEWHK-QDBRMXEESA-N", "SMILES:COC(=O)[C@@H]1C=C(OC(=O)c2ccc(C)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCYEZMQXKXOGK-JXSGGZGWSA-N", "SMILES:COC(=O)[C@@H]1C=C(OC(=O)c2ccc(Cl)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLCWCXFRHJMMG-JXSGGZGWSA-N", "SMILES:COC(=O)[C@@H]1C=C(OC(=O)c2ccc(F)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCKKVABVJYSRU-IETWLXPPSA-N", "SMILES:CC(=O)O[C@@H]1C=C(OC(=O)c2cccc(F)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJIIZXQWXQDHRX-VDHHLKGPSA-N", "SMILES:COC(=O)[C@@H]1C=C(OC(=O)c2ccccc2F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQKOFKRIYWHQP-JXSGGZGWSA-N", "SMILES:COC(=O)[C@@H]1C=C(OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSUYLEUILULBTA-OONXLWFASA-N", "SMILES:CC(=O)O[C@@H]1C[C@H](NC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363324", "category": ["biolink:ChemicalEntity"], "name": "HERKINORIN", "xref": ["InChIKey:PYDQMXRFUVDCHC-XAGHGKQISA-N", "SMILES:COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBHGDLVRCVJOA-GHTUPSMJSA-N", "SMILES:COC(=O)[C@@H]1C=C(O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBSYBRPAKCASQB-ASUQIVHDSA-N", "SMILES:COC(=O)[C@@H]1C[C@@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4749616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMSBDQZICUJPNH-BFUHAOQKSA-N", "SMILES:COC(=O)[C@@H]1C=C(OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKSEIHXZRSETR-BULFRSBZSA-N", "SMILES:CCCCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKSEIHXZRSETR-VOQZNFBZSA-N", "SMILES:CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKXCOAPPIICFR-UHFFFAOYSA-N", "SMILES:CCCCCCCCC1CCc2cc(CCC(N)(CO)CO)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806158", "category": ["biolink:ChemicalEntity"], "name": "BMS-986104", "xref": ["InChIKey:BPMMYKAHRIEVDH-VOQZNFBZSA-N", "SMILES:CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1"], "synonym": ["Bms-986104", "BMS-986104"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPFRXJAWNHUKT-JPWNOPPSSA-N", "SMILES:Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@H]1CSc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWMNSYAIWOJGC-NAYXSZQVSA-N", "SMILES:N[C@@]1(C(=O)O)[C@H](Cc2ccc(F)c(Cl)c2)C[C@H]2[C@H](C(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLZBRVJVCCNPRJ-KPHUOKFYSA-N", "SMILES:N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTKNPFVVQTVKOG-WKHIZERTSA-N", "SMILES:Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSMGWHZJRKUSME-JUFVRUDHSA-N", "SMILES:CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1CSc1ccc(F)c(C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJENJQADGVYMBK-HSACNDHRSA-N", "SMILES:Cc1cc(SC[C@@H]2[C@@H](N)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGMJIARNOPFMQ-UMLKCODCSA-N", "SMILES:Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@H]1CSCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKYWAAELANRRF-JPWNOPPSSA-N", "SMILES:Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@H]1CSc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITFXZZZIDRFIPI-BYRSKMSESA-N", "SMILES:Cc1ccc(SC[C@@H]2[C@@H](O)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)cc1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTKJTEJHFQQLKS-HSACNDHRSA-N", "SMILES:Cc1cc(SC[C@@H]2[C@@H](O)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETSGLSGWGGOTN-JPWNOPPSSA-N", "SMILES:Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@H]1CSc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVAGALHVSCWLQ-NHDMYCFKSA-N", "SMILES:Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@H]1CSc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGXCLNPOFOSSTJ-NHDMYCFKSA-N", "SMILES:Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@H]1CSc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQKRTLZZWIIIR-NZHJENJMSA-N", "SMILES:CC(C)SC[C@@H]1[C@@H](O)[C@H]2[C@H](C(=O)O)[C@H]2[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNXVTBIUHMGHCE-QLJXJXQJSA-N", "SMILES:Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@@H]1CSc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNXVTBIUHMGHCE-NHDMYCFKSA-N", "SMILES:Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@H]1CSc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNXVTBIUHMGHCE-DIWPDKLISA-N", "SMILES:Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@@H]1CSc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNXVTBIUHMGHCE-SZBUVCHWSA-N", "SMILES:Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@H]1CSc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDLTKGXRPVDSY-RTHBWCHNSA-N", "SMILES:N[C@@]1(C(=O)O)C[C@@H](O)[C@H]2[C@H](C(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDLTKGXRPVDSY-FJNNMDBYSA-N", "SMILES:N[C@@]1(C(=O)O)C[C@H](O)[C@H]2[C@H](C(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8759", "category": ["biolink:ChemicalEntity"], "name": "EGLUMETAD", "xref": ["InChIKey:VTAARTQTOOYTES-RGDLXGNYSA-N", "SMILES:N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21"], "synonym": ["Eglumetad", "Eglumetad anhydrous", "LY-354740", "LY354740", "Eglumetad"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHTIIIGCFXVRNT-UHFFFAOYSA-N", "SMILES:O=S(=O)(N1CCC(Nc2cnnc3ccc(C(c4ccc(Cl)cc4)c4nccs4)cc23)CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSYNOBJGHEEQR-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)c2ccc3nncc(NC4CCC(Nc5ccccc5)CC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITZSQLJPQWMJBB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1S(=O)(=O)N1CCC(Nc2cnnc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOXMKJRLZQGJE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CN2CCC(Nc3cnnc4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQEBEFBUXJCRJR-UHFFFAOYSA-N", "SMILES:O=S(=O)(N1CCC(Nc2cnnc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHSMOHJFGXROJA-UHFFFAOYSA-N", "SMILES:O=S(=O)(N1CCC(Nc2cnnc3ccc(C(O)(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKPFXWCWKYDCSB-TZIWHRDSSA-N", "SMILES:C[C@@H]1CC[C@@H](c2nc(CN(C)C)c(-c3ccccc3)o2)CN1C(=O)c1ccccc1-n1nccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZIMZRYVUDARIJ-IEBWSBKVSA-N", "SMILES:COC(=O)c1nc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)oc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIFHYQSASFBJSW-VWLHBSKXSA-N", "SMILES:CC[C@](C)(O)c1nc([C@@H]2CC[C@@H](C)N(C(=O)c3cscc3-n3nccn3)C2)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJTYOPFRSHHKZ-GDBMZVCRSA-N", "SMILES:CCOc1ccccc1C(=O)N1C[C@H](c2nc(C(C)(C)O)c(C)o2)CC[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWFFIRXHYZBQY-GDBMZVCRSA-N", "SMILES:Cc1oc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)nc1C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFNKEOIAZLRBA-BAZDSOKHSA-N", "SMILES:COC(=O)C1(C)CC1c1coc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMTJSBZCZKCYHB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHUTSRHQHRZLM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(OCc4ccc(F)c(F)c4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHUAYQUIBFNFU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3cc4ccccc4o3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZJNHEGKIFGRBT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc4cccnc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOPCFAHAWTJMQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(C3=CCCCC3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJKONWHOYZPEPY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc4c(c3)OCCO4)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJXULFZRMIORHA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(CO)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNLVVBZWCQILI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(OCCOC)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKCNKJDTPGZOQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(OCC)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRZGVPVTPMVYIB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(OC)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJHPMBPLBRTKH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(O)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQJKZGZEZRDJCC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(F)cn3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKACYHGVYYREIN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(C(F)(F)F)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KASCUQFTBIXQFC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(OC(F)(F)F)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQRHPTSGPVBTQC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(F)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKSBBMZWXVMNC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3cccc(Cl)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXBRNRVNYBSQS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(-c4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKLVKKVRNFLBD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(Oc4ccccn4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKBBBPBSGJHZPC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(OCc4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBTQRHYFINTYDU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICOIVBKIEHKDKV-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCC(Cn2nc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQTROZKTCAHOPG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2nc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBQMXKPOPXJJD-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCC(Cn2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWUMMUJYPVSURV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BURTXACXUWJLIR-ONEGZZNKSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCC(Cn2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJZYVJFZOROZKT-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCC(Cn2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHICEFFNTYNQS-RMKNXTFCSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCC(Cn2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBXAFNMLIHPLNY-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCC(Cn2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJCDYKIFRNCSR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CCn2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDULGKSLWVOXCP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CCn2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRJAKMJTZXFZRB-AWEZNQCLSA-N", "SMILES:C=CC(=O)N1CCC[C@H](Cn2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVPPRLLAQYFNC-IBGZPJMESA-N", "SMILES:C=CC(=O)N1CCC[C@H](Cn2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRJAKMJTZXFZRB-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](Cn2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVPPRLLAQYFNC-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](Cn2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"name": "Nuclear receptor subfamily 4 group A member 3", "xref": ["CHEMBL.TARGET:CHEMBL1961792"], "id": "UniProtKB:Q92570", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILQNQNXHECHYOX-RBAYCRCTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOQGFRDIPBSLZ-QTFXXGFBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(N)=O)C(C)C"]}
{"name": "Serine/threonine-protein kinase SBK1", "xref": ["CHEMBL.TARGET:CHEMBL1163129"], "id": "UniProtKB:Q52WX2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase NIM1", "xref": ["CHEMBL.TARGET:CHEMBL3542"], "id": "UniProtKB:Q8IY84", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin-IIIa", "xref": ["CHEMBL.TARGET:CHEMBL5546"], "id": "UniProtKB:Q8NEV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin light chain kinase family member 4", "xref": ["CHEMBL.TARGET:CHEMBL5426"], "id": "UniProtKB:Q86YV6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase MAK", "xref": ["CHEMBL.TARGET:CHEMBL1163106"], "id": "UniProtKB:P20794", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinase suppressor of Ras 2", "xref": ["CHEMBL.TARGET:CHEMBL3627583"], "id": "UniProtKB:Q6VAB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinase suppressor of Ras 1", "xref": ["CHEMBL.TARGET:CHEMBL1938215"], "id": "UniProtKB:Q8IVT5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Casein kinase I isoform alpha-like", "xref": ["CHEMBL.TARGET:CHEMBL5520"], "id": "UniProtKB:Q8N752", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSLQALGLKKWBBK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBYZQAAHHFBJRH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESHQVCFRMHBDE-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Oc2ccc(Nc3ncnc4cc(OCCCN5CCOCC5)c(NC(=O)c5cc([N+](=O)[O-])ccc5F)cc34)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KESYYPPAVUQGCO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(Nc3ncnc4cc(OCCCN5CCOCC5)c(NC(=O)c5cc([N+](=O)[O-])ccc5F)cc34)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZBMBRNISMRFT-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)c4cc([N+](=O)[O-])ccc4F)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFJVYRHQJHOPZ-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)c4cc([N+](=O)[O-])ccc4F)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZXSNHHPHHMRO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(OCC4CC4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVQKTBBELXOAA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)c4cc([N+](=O)[O-])ccc4F)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSYNVWOXMCQPCU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)cc3)ncnc2cc1OCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVJOWDGJWXYIM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(F)c3)ncnc2cc1OCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYGMGGIWSKGHB-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUBJQRPJFFVNON-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGMORXNEVKAZOM-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVZQREVEEVPEQK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWOFECSJQXVKKB-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZILKTDJCFGYUHY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCNCC1)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRMDTQPHNTARK-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYLWLRCLYJKSOU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1F)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBWLRDUIBCUUPC-UHFFFAOYSA-N", "SMILES:CN(C)CCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFKMHAHEMAPTIP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWHBEIMXDDQAO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(F)c(CNc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCCN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUMZXGNVRWMYJD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cccnc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDBOFMYDGIUQC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRUPLLYHCCRLQB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKIZZUZFPUSYEY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cc(F)cc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSLUCWJHXRSGBF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cc(F)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZPSSPYZLNIKI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGHHWIALVSRIF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCCN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYCZHSAWWSBBU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(F)c(C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCCN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFNMIUPKATENT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVFBDACKZRBFJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cccc(C(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAWCFSOXXFRII-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNZUNQUVWFQHOF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUGBIESGDOVNEN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIHRVXWECSKNMT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCCN2CCOCC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHGXPLRLGWRAY-JKKHURIASA-N", "SMILES:C=CC(=O)NCC1NC(=O)[C@@](C)(NC(C)=O)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC2=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCAPDVHCWFIPPZ-ZJWAASNJSA-N", "SMILES:C=CC(=O)NCC1NC(=O)[C@@H](NC(C)=O)CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC2=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAYQQAMIHDOHKW-NHDDOYCYSA-N", "SMILES:CCC(=O)NCC1NC(=O)[C@@](C)(NC(C)=O)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC2=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGAFLMUGXDMNX-NHRYRXKOSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWULFOCTLISUDK-PRJISGMBSA-N", "SMILES:C=CC(=O)NCC(NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQRCBNCNTIDZQV-IMXCUJBUSA-N", "SMILES:C=CC(=O)NCC(NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBTRCLBRWLEXOC-FHFKDPIJSA-N", "SMILES:C=CC(=O)NCC1NC(=O)[C@@](C)(NC(C)=O)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]2(C)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC2=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDEHKRNADKDMAL-JKKHURIASA-N", "SMILES:C=CC(=O)NCC1NC(=O)[C@@H](NC(C)=O)CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]2(C)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC2=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZFJBHKCMVRRBX-NHDDOYCYSA-N", "SMILES:C=CC(=O)NCC1NC(=O)[C@@](C)(NC(C)=O)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC2=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WERXSEQKFBRERC-JKKHURIASA-N", "SMILES:CCC(=O)NCC1NC(=O)[C@@](C)(NC(C)=O)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC2=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYFQGOCHIYAKX-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMBMBNEFVQIKO-MRXNPFEDSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMBMBNEFVQIKO-INIZCTEOSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKTIZOAXSZOWSA-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCC4(CC3)CN(C)C4)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTAQNJRTPPUJGH-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CC4(COC4)C3)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMUOXSQEEBYJKS-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCC(F)CC3)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGWWXSQXUZZVCL-OKILXGFUSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMFRLKQMMLEFRK-CYBMUJFWSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCOC[C@H]3C)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMFRLKQMMLEFRK-ZDUSSCGKSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCOC[C@@H]3C)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBUIMZPVMYITCU-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)NCC(C)(C)O)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUPNDDSDFGRVJX-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2N(C)C)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNEYRGCOLYRABZ-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC(C)C)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LABPCPFLOINJNJ-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2OC(C)C)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQZSMPJFKRMEC-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc(OCC)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXEIMTCOCBLPMN-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1nc(OCC)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTOCUYGSZUQOI-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKFNUPAFGHESE-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2OC)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKPHXFLUJZRNMC-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2Cl)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYLZMKPYMYDDHN-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2F)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDUCAMLWRFAGCU-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXDXETXIHNPNDD-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOJVIDJOKDJWHI-UHFFFAOYSA-N", "SMILES:CCOc1nc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2OC(F)F)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3301620", "category": ["biolink:ChemicalEntity"], "name": "TEMSAVIR", "xref": ["InChIKey:QRPZBKAMSFHVRW-UHFFFAOYSA-N", "SMILES:COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12"], "synonym": ["Temsavir", "Temsavir", "BMS-626529", "Temsavir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOITYDZLQYLNI-HNNXBMFYSA-N", "SMILES:NC[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)[nH]1)c1nc(CO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMNRITNXOPKFLG-AWEZNQCLSA-N", "SMILES:NC[C@H](NC(=O)c1ccc(-c2cc(F)c(Cl)c(F)c2)[nH]1)c1nc(CO)cs1"]}
{"name": "Synaptic vesicle membrane protein VAT-1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL4802015"], "id": "UniProtKB:Q99536", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peroxiredoxin-like 2A", "xref": ["CHEMBL.TARGET:CHEMBL3879824"], "id": "UniProtKB:Q9BRX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYNMVDMBFKGCCR-QGZVFWFLSA-N", "SMILES:Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAEPLYNAKJZLSC-QGZVFWFLSA-N", "SMILES:Cc1cnc(-c2ccc(F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMECUCANUVGFRR-QGZVFWFLSA-N", "SMILES:Cc1cnc(-c2ccc(OC(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGEYBBZLLOTKIF-LJQANCHMSA-N", "SMILES:Cc1ccc(-c2ncc(C)n2Cc2ccccc2OCCC[C@@H](C)CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHAFFSXFYIHJM-QGZVFWFLSA-N", "SMILES:Cc1cnc(-c2ccc(Cl)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYSIAQDFLFFVJJ-MRXNPFEDSA-N", "SMILES:Cc1cnc(-c2ccc(Cl)c(F)c2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBNNCNNGBRSKP-GHRIWEEISA-N", "SMILES:C/C(=C\\COc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOFBESNFVYMKTL-HXUWFJFHSA-N", "SMILES:Cc1cnc(-c2ccc(-c3ccco3)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIWWPCSJBHIOPF-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2ccc(-c3ccco3)cc2)n1Cc1ccccc1OCCCCC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZVNGYWXLMIOJJ-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2ccc(-c3ccco3)cc2)n1Cc1ccccc1OCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRFXCIVRWOSHA-XDJHFCHBSA-N", "SMILES:C/C(=C\\COc1ccccc1Cc1c(-c2ccc(-c3ccco3)cc2)noc1C)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCIZCOWDLAEPFD-XDJHFCHBSA-N", "SMILES:C/C(=C\\COc1ccccc1Cc1sc(C)nc1-c1ccc(-c2ccco2)cc1)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRAANPJMJVOBSF-HMMYKYKNSA-N", "SMILES:C/C(=C\\COc1ccccc1Cc1c(-c2ccc(-c3ccco3)cc2)ncn1C)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYDDALNNRJAMC-XDJHFCHBSA-N", "SMILES:C/C(=C\\COc1ccccc1Cc1c(C)n[nH]c1-c1ccc(-c2ccco2)cc1)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIVQMMTYKIWMH-XDJHFCHBSA-N", "SMILES:C/C(=C\\COc1ccccc1Cc1c(C)nnn1-c1ccc(-c2ccco2)cc1)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUVHHWWVOQIFU-HMMYKYKNSA-N", "SMILES:C/C(=C\\COc1ccccc1Cc1c(C)ncn1-c1ccc(-c2ccco2)cc1)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRFNECOYNWYLD-HMMYKYKNSA-N", "SMILES:C/C(=C\\COc1ccccc1Cn1c(C)cnc1-c1ccc(-c2ccco2)cc1)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJVGOOJCUJEES-OUKQBFOZSA-N", "SMILES:Cc1cc(-c2ncc(-c3cccnc3)cc2/C=C/c2ccccc2)cnc1-c1cccc(C/C(N)=N/O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFXWHMPYOWHQO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSIMJKEUKTDFX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAAMZPLHMSTHPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATWOSAOVIVTGV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQLRGPPYBCNQOP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBXAGLBYMESDU-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Oc3cccc(C#N)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUHUXAJPBMMFHX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFBLFMFGIUZTL-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(=O)O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPHJFINPPUYCR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEJXOHQFNIPDNI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXPQBSNHDVPLU-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQRXAPFBYBOBC-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3cccc(Cl)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFGIXUTHFZTTL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKFINANPKLBEQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJTYFWWWPAMDJU-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFMFXLMEUSPOH-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFMJKAJYIALDJF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYSXBGCUVPQKX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXJOCCCFUPNBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTIWZFCSWZGOH-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQVXNOUEEGFMNE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)CC2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOJNFUEFAKODM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2C(=O)CC(CC(=O)c3ccc(Cl)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRMMDIQMSUNFC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CC2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJCDVFOTXYSPC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2C(=O)CC(CC(=O)c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDGQWBSQPEIQS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2C(=O)CC(CC(=O)c3ccccn3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFQWGSBHIHMSPE-UHFFFAOYSA-N", "SMILES:CC(=O)C(C)(C)C1CC(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRLQDDMPCSSFL-UHFFFAOYSA-N", "SMILES:CC(=O)CC1CC(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGSLQLRGHUDUEC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2C(=O)CC(C3CCCCCC3=O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYKULIADGHPMDB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2C(=O)CC(C3CCCCC3=O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHNVXDGKIOUAD-UHFFFAOYSA-N", "SMILES:O=C1CCCC1C1CC(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWDGPQFKCZZFH-UHFFFAOYSA-N", "SMILES:O=C1CCCCCC1C1CC(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUNDUQXODSRNH-UHFFFAOYSA-N", "SMILES:O=C1CCOCC1C1CC(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMRIYTVMYYHRE-UHFFFAOYSA-N", "SMILES:CC1CCC(=O)C(C2CC(=O)N(Cc3ccccc3)C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLGLUOVIPBMDA-UHFFFAOYSA-N", "SMILES:CC1CCC(=O)C(C2CC(=O)N(c3ccccc3)C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWEDFIBVRJOWJJ-UHFFFAOYSA-N", "SMILES:O=C1CCCCC1C1CC(=O)N(c2ccc(Br)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEXOJVXZKCAZML-UHFFFAOYSA-N", "SMILES:O=C1CCCCC1C1CC(=O)N(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPUVCRGXNKMBU-UHFFFAOYSA-N", "SMILES:O=C1CCCCC1C1CC(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QICPFRBOCNVIQU-DQEYMECFSA-N", "SMILES:CCCCCCCCCCCCCCCCC[C@H](O)C[C@@H]1C=CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMVWSUZLZMQYAJ-NFGIUOACSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCC[C@H](C[C@@H]1C=CCCN1C)OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMQGRBRYANBFPS-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2C(=O)CSC2c2ccc3cccc(O)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZUGYJMXZBVTD-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(N2C(=O)CSC2c2ccc3cccc(O)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCYUBKKJZBXKG-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc3cccc(O)c3n2)N1c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJSCUHIDUCBCG-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc3cccc(O)c3n2)N1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEMPCJSAHRGRGB-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc3cccc(O)c3n2)N1c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFMPRPWRTXRSPW-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc3cccc(O)c3n2)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIYFTYMJFKVWKV-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(N2C(=O)CSC2c2ccc3cccc(O)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQHKTCQJQECIK-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1C(=O)CSC1c1ccc2cccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKNALTUFJWJGRJ-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc3cccc(O)c3n2)N1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGUPICQZUCROIV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N2C(=O)CSC2c2ccc3cccc(O)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPXTEUGCODSGQ-UHFFFAOYSA-N", "SMILES:COc1cc(N2C(=O)CSC2c2ccc3cccc(O)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDJWYNEFWHVMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)CSC2c2ccc3cccc(O)c3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYIZWYFMSVYKJA-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc3cccc(O)c3n2)N1c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSKLAYKWSCSPGF-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc3cccc(O)c3n2)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJCCUIRMSQVCE-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc3cccc(O)c3n2)N1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQUXKDZDDTRIK-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)CSC2c2ccc3cccc(O)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRGBMRPZQCAMCK-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=O)CSC2c2ccc3cccc(O)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCFYASIRLICKS-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc2ccccc2[nH]1)NCc1cn(-c2ccc(O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLPAQKEBCUFDJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc(O)cc2)nn1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROUCAEOTGWEOQC-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc(O)cc2)nn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVXKFSLOTWCEJE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCc2cn(-c3ccc(O)cc3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZYVLGHJDIPLP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc(O)cc2)nn1)c1ccc(Br)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUROLPALGDROPN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc(O)cc2)nn1)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRXCOZAODVHXTM-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc(O)cc2)nn1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBAGMPLFEAYLTM-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2ccc(O)cc2)nn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDNOMVFORBNKO-UHFFFAOYSA-N", "SMILES:Oc1ccc(-n2cc(-c3ccc4ccccc4n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKXWBNTHGOIMF-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(-c2ccc(O)cc2)nn1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOHCUKHSZNRMU-UHFFFAOYSA-N", "SMILES:COC(=O)CCCc1cn(-c2ccc(O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGDYOSQQFDVMOT-UHFFFAOYSA-N", "SMILES:C#CCCCCc1cn(-c2ccc(O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZAPRWSPOWFDY-UHFFFAOYSA-N", "SMILES:Oc1ccc(-n2cc(C3CCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWZIGCOTMICHB-UHFFFAOYSA-N", "SMILES:CCCCCc1cn(-c2ccc(O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXHQCISHMPQZDT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Oc2cccc3nc(-c4cn(-c5ccc(O)c(F)c5)nn4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMADNKXMEDYTCS-UHFFFAOYSA-N", "SMILES:Cn1c(CN2CCC(c3ccccc3F)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDLYRJRCRLNGE-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCUMXUPIXTGPF-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3n2CCN1CCCCOc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGGIKBFIOJSGW-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3n2CCN1CCCCOc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPBQTGGBBWKIAQ-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3n2CCN1CCCCOc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYLAYUANGKGQKZ-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3n2CCN1CCCCOc1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZPAINQVGQPQA-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3n2CCN1CCCCOc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URYFHWRAKNJWAZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCCCCN1CCn2c(nc3ccccc32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKTWOMJBPXLGCV-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3n2CCN1CCCCOc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPKRXJIAOXEBM-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3n2CCN1CCCOc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHKGQIMERUNRSZ-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3n2CCN1CCCOc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEHLLJNQCTGCY-UHFFFAOYSA-N", "SMILES:Clc1ccc(OCCCN2CCn3c(nc4ccccc43)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBPGCSAJRYRAW-UHFFFAOYSA-N", "SMILES:Fc1ccc(OCCCN2CCn3c(nc4ccccc43)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAOCQANUWUVHHQ-UHFFFAOYSA-N", "SMILES:Fc1ccc(OCCCN2CCn3c(nc4ccccc43)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARXGOUFSUVART-UHFFFAOYSA-N", "SMILES:Clc1cccc(SCCCN2CCn3c(nc4ccccc43)C2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLMIRWGZTDZLEL-UHFFFAOYSA-N", "SMILES:Fc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGMEQLDYLZYNY-UHFFFAOYSA-N", "SMILES:Fc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEGLEOWKVFCAAN-UHFFFAOYSA-N", "SMILES:Brc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMGALQROJWRDX-UHFFFAOYSA-N", "SMILES:Fc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCKFNACIHBFETJ-UHFFFAOYSA-N", "SMILES:Clc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUCNLOGLGVMEDA-UHFFFAOYSA-N", "SMILES:c1ccc(SCCCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWJQIDAPSMDMT-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCCN2CCn3c(nc4ccccc43)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEXNQHSAOMLEC-UHFFFAOYSA-N", "SMILES:Fc1cc(Cl)ccc1CCCCN1CCn2c(nc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKPFGOLNUADSHM-UHFFFAOYSA-N", "SMILES:Fc1cc(C(F)(F)F)ccc1CCCCN1CCn2c(nc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBOUYGWJVZTGC-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCCCN2CCn3c(nc4ccccc43)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTBYGXWWUKIFB-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCCCN2CCn3c(nc4ccccc43)C2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFQCHZWBKWHGW-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(CCCCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEXJXWKVDSSFDO-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NACMGEKDQPCNPA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCCCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZKHZZWUIQYOLP-UHFFFAOYSA-N", "SMILES:c1ccc(CCCCCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZKVJREFCBZBX-UHFFFAOYSA-N", "SMILES:c1ccc(CCCCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMFWZYIODFQIF-UHFFFAOYSA-N", "SMILES:c1ccc(CCCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHZFZYHHMQBJH-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHDQKEKZQLDCAB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPTTYWYHUSWOX-UHFFFAOYSA-N", "SMILES:Brc1ccc(CCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTLKYRWAVAOJL-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNQIZNRZCKISAC-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASYOKTYWNRZCFY-UHFFFAOYSA-N", "SMILES:Fc1cccc(CCN2CCn3c(nc4ccccc43)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHPZMZRZLDNGV-UHFFFAOYSA-N", "SMILES:Fc1ccccc1CCN1CCn2c(nc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIJYVTVCOJZSGS-UHFFFAOYSA-N", "SMILES:c1ccc(CCN2CCn3c(nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMCJFBJMANXHC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc(N3CCN(C(=O)Nc4ccc(OS(N)(=O)=O)cc4)CC3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXAMJLDUVJHKOD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc(N3CCN(C(=O)Nc4ccc(OS(N)(=O)=O)cc4)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWDJCAPWJLXKGI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4cccc(Br)c4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSAMXFBBILEFI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTZCWVQOKQSBGP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccnc(N3CCN(C(=O)Nc4ccc(OS(N)(=O)=O)cc4)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMESPXWKAAGELO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNZLCVKKVKXZRR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCN1CCN(C(=O)Nc2ccc(OS(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQZYRLUTMVYEGJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1CCN(C(=O)Nc2ccc(OS(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBJBLYZJVUELNX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3cc4ccccc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCFRJEPDEBLNCB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLCVLPQQJHMIV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)Nc2ccc(OS(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODKCZPCWVRTCE-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLAOZAPTVERME-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHBNALWMHNMNKL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGWICNCMKOOBF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXCKEGDQZELHR-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOUPLYHJRQMOU-OJYCWLPVSA-N", "SMILES:C=CCn1c(SCC(=O)Nc2ccc(/C(C)=N\\O)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZIUJUUHPTKBC-WBIBEUCMSA-N", "SMILES:C=CCn1c(SCC(=O)Nc2ccc(/C(C)=N\\O)cc2)nnc1-c1cc(-c2ccc(Cl)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USVGKDWIRJLLJA-FFKGLWRNSA-N", "SMILES:COc1ccc2nc(-c3ccc(Cl)cc3)cc(-c3nnc(SCC(=O)Nc4ccc(/C(C)=N\\O)cc4)n3-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOZFDIGKDPQBO-KJWHEZOQSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL461515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLZAGZCCJJBKNZ-UJPOAAIJSA-N", "SMILES:O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4748453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIKZYYHXQDXKSW-WDVUVTOCSA-N", "SMILES:C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/NC(=O)COc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2137967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXIPWGTOOBSRF-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(CNC(=O)C2CCCN(S(=O)(=O)N3CCOCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1596034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZLBBWKRFWAHOK-NTCFCCFRSA-N", "SMILES:CCC(C)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4761604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZLJWQEZWFJFE-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cn(CC(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOMYPAYTDIYJAO-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNWBIUMUTUWNJA-OGJJZOIMSA-N", "SMILES:O=c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4794885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMAZBNRXXKJBCE-ZIKOTGLESA-N", "SMILES:Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc2c3c(c(=O)oc12)CCCCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4753538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROCVBZTWTGXHKR-UHFFFAOYSA-N", "SMILES:O=C(CC1(O)C(=O)Nc2ccccc21)CC1(O)C(=O)Nc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4754659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQOOZBCGGHKMAZ-UHFFFAOYSA-N", "SMILES:C#CCCCCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQLZFFYWTNVMSA-UHFFFAOYSA-N", "SMILES:C#CCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJXUIGAKKJZVNK-UHFFFAOYSA-N", "SMILES:C#CCCCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKXPHQDEDXKEP-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1cc2c(nc(NC(=O)CCCc3cn(CCCCCCNC(=O)c4ccc(-c5c6ccc(=N)c(S(=O)(=O)O)c-6oc6c(S(=O)(=O)O)c(N)ccc56)c(C(=O)O)c4)nn3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSVBFFHOOIVHY-UHFFFAOYSA-N", "SMILES:C#CCCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBREZGPWVFSIR-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCOCCOCCOCCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCXVLHSKNGPRY-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCOCCOCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWLBNIVKIFZFF-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKGPDIYPHHYPX-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXAEYHXGCKBKG-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTWHYBZUKETDM-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCOCCOCCOCCCN)cc3)n3nc(-c4ccco4)nc23)n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBBKRAEKWOAKD-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCOCCOCCN)cc3)n3nc(-c4ccco4)nc23)n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWJCILGSOWXMQD-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCCCN)cc3)n3nc(-c4ccco4)nc23)n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRQXVZXFWAJCJB-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCCN)cc3)n3nc(-c4ccco4)nc23)n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIWEONUNYLADN-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCN)cc3)n3nc(-c4ccco4)nc23)n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHAOGTIMMFDVLG-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCOCCOCCOCCCNC(=O)OC(C)(C)C)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMDCKEROIPKTLV-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCOCCOCCNC(=O)OC(C)(C)C)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDPZUSARWMGBX-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCCCNC(=O)OC(C)(C)C)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLGJNEFOSUCSDA-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCCNC(=O)OC(C)(C)C)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYIZJTPWTGJUMN-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCNC(=O)OC(C)(C)C)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3897868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVZGPDUOLJANP-UHFFFAOYSA-N", "SMILES:Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)O)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXIPMXOUYVDUFL-DEOSSOPVSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccc(F)cc5)n([C@H]5CCCN(C(=O)CO)C5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFBFTXEDGUXNL-XMMPIXPASA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccc(F)cc5)n([C@@H]5CCN(S(=O)(=O)C6CC6)C5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNEHWYIFHKBZAW-XMMPIXPASA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n([C@@H]5CCN(S(=O)(=O)C6CC6)C5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWPCEBSLMGTZDS-DEOSSOPVSA-N", "SMILES:CNC(=O)CN1CC[C@H](n2c(Nc3ccc(F)cc3)nc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNEHWYIFHKBZAW-DEOSSOPVSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n([C@H]5CCN(S(=O)(=O)C6CC6)C5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMYSQZAPKCRSPW-VWLOTQADSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccc(F)cc5)n([C@H]5CCN(C(=O)OC(C)(C)C)C5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHIJHIPSFYROC-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NC1CCCCC1"]}
{"name": "Endochitinase A1", "xref": ["CHEMBL.TARGET:CHEMBL1293196"], "id": "UniProtKB:Q873Y0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:746128"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQWVUIAESBARIM-UHFFFAOYSA-N", "SMILES:CCCCNC(=N)NC(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCIDHJBLPVUNN-UHFFFAOYSA-N", "SMILES:CNC(=N)NC(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNVKJORSKCXID-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(O)CNC2Cc3ccccc3C2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLPDGVIHJQQOR-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1noc2nc(C)[nH]c(=O)c12"]}
{"name": "Endochitinase B1", "xref": ["CHEMBL.TARGET:CHEMBL4638"], "id": "UniProtKB:Q873X9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:746128"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHHVTIQSEZUVAG-BLCKVISQSA-N", "SMILES:CNC(=O)NC(=N)NCCC[C@H]1CN(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)O)CCC(=O)N[C@@H](C(=O)O)CC(=O)N[C@H](C)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1182094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYOPIKZUCOWJM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Cc3ccc(C(C)(C)C)cc3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL35306", "category": ["biolink:ChemicalEntity"], "name": "NIKKOMYCIN", "xref": ["InChIKey:WWJFFVUVFNBJTN-VHDFTHOZSA-N", "SMILES:C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(O)cn1"], "synonym": ["Nikkomycin", "Nikkomycin z"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4741395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKYUXXRAJKNAS-UHFFFAOYSA-N", "SMILES:CN(CC#CC#CC(C)(C)C)c1cccc2c1OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPHRECNPXCYSKT-UHFFFAOYSA-N", "SMILES:CC(C)(C)C#CC=CCNc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNWFIQEVYBGSD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c(C)c(-c3ccnc(-c4ccc(OC(F)(F)F)cc4)c3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUVTQVJIDRUNQ-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(-c3ccnc(Cl)c3NS(=O)(=O)c3ccc(F)cc3)cc2N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBVASZIKWFQEW-UHFFFAOYSA-N", "SMILES:C=Cc1ccc2oc3ccc(=O)n(-c4cccc(NC(=O)c5ccc(OC)nc5)c4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDNAJNXDPHROL-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nc(-c2ccc(O)cc2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450195", "category": ["biolink:ChemicalEntity"], "name": "RUCINOL", "xref": ["InChIKey:CSHZYWUPJWVTMQ-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443605", "category": ["biolink:ChemicalEntity"], "name": "HEXYLRESORCINOL", "xref": ["InChIKey:WFJIVOKAWHGMBH-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(O)cc1O"], "synonym": ["Hexylresorcinol", "Hexylresorcinol", "4-hexylresorcinol", "E-586", "INS NO.586", "INS-586", "Sucrets"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3961037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSXNIMHIHYFEE-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)c1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4473314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLYKYQBTSMTJB-SOBQPUOHSA-N", "SMILES:C=C1OC(=O)/C(=C\\CCCCCCCCCCCCC)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL218924", "category": ["biolink:ChemicalEntity"], "name": "SUBAMOLIDE A", "xref": ["InChIKey:YLCXJNOKPGBEPM-NBVPMNRZSA-N", "SMILES:CCCCCCCCCCCCC/C=C1\\C(=O)O[C@@](C)(OC)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL202844", "category": ["biolink:ChemicalEntity"], "name": "N-TRANS-FERULOYLDOPAMINE", "xref": ["InChIKey:ZRLYUFOWFPPSTD-QPJJXVBHSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCc2ccc(O)c(O)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL146816", "category": ["biolink:ChemicalEntity"], "name": "METHYL P-HYDROXYCINNAMATE", "xref": ["InChIKey:NITWSHWHQAQBAW-QPJJXVBHSA-N", "SMILES:COC(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHEMZHJQHCVLFI-NTLHZVPKSA-N", "SMILES:COc1cc(/C=C\\C(=O)NCCCCNC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL492818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNABJBYLQABXJR-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4749970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTLSJCCPWSJISD-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUBYDNOLYHHJW-SOFGYWHQSA-N", "SMILES:O=C(O)/C=C/c1ccc(O)c(O)c1SCCC(S)CCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLMQQHLWUJUKR-VQHVLOKHSA-N", "SMILES:COC(=O)/C=C/c1ccc(O)c(O)c1SCCC(S)CCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPQWRBYOIRBIT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAWPKHNOFIWWNZ-UHFFFAOYSA-N", "SMILES:Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKQCSKOPQSGQA-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2cc(O)ccc12)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43065", "category": ["biolink:ChemicalEntity"], "name": "OXYRESVERATROL", "xref": ["InChIKey:PDHAOJSHSJQANO-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(O)cc2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4793063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTQOJWCKLPTGL-AATRIKPKSA-N", "SMILES:COC1=CC(=C/C=C/C=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL245416", "category": ["biolink:ChemicalEntity"], "name": "L-MIMOSINE", "xref": ["InChIKey:WZNJWVWKTVETCG-YFKPBYRVSA-N", "SMILES:N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4794995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSMPGFXXRFCOA-UHFFFAOYSA-N", "SMILES:CCCn1cc(O)c(=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDFBHJRCBEADH-UHFFFAOYSA-N", "SMILES:CCCCn1cc(O)c(=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJAJCTJPFQCGOS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(-c2ccc(O)cc2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAXOEHHSHZYPGE-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSMHHKHPYWSIO-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCEWTGCKXFLYQP-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccc(O)cc2O)cs1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOHSCLSWPDYNN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1491393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBOFVIJSTYQSB-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2csc(Nc3ncccn3)n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBRZKPADMMQTN-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(O)cc2O)cs1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRZJGUCWMYTOQH-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1nc(-c2ccc(O)cc2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWOMZONLUGEPF-UHFFFAOYSA-N", "SMILES:CSCc1cc(=O)c(O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOZGBIVLELURMD-UHFFFAOYSA-N", "SMILES:CCSCc1cc(=O)c(O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYLUTJQQPXXLM-UHFFFAOYSA-N", "SMILES:CCCSCc1cc(=O)c(O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJMHCGWAQPALZ-UHFFFAOYSA-N", "SMILES:CC(C)SCc1cc(=O)c(O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSUYJCKSLPFPSA-UHFFFAOYSA-N", "SMILES:CCCCCSCc1cc(=O)c(O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJJRZMLVVDIJDM-SZVBFZGTSA-N", "SMILES:N[C@H](Cc1ccccc1)C(=O)O[C@H]1CC[C@H](c2ccc(O)cc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGFKWAEPXKHLZ-UBYARMNVSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)OC1=C(O)C(=O)O[C@@H]1[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXGFCJQHNGDQK-UBYARMNVSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)OC1=C(O)[C@@H]([C@H](O)CO)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKPPEZYAZCCZLQ-HDICACEKSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@@H](C)N[C@@H](C)C4)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPWWPROTGHOMPH-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)C(=O)C4)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINODIWIEGKWRS-OAQYLSRUSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](N(C)C)C4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINODIWIEGKWRS-NRFANRHFSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN4CC[C@H](N(C)C)C4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITNZAPINLBLEPR-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)S(C)(=O)=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAEBQFAVUQNUCZ-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)C(C)=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQYFEWJBHLEALW-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLZQDHRXJOXCLL-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)(F)F)CC4)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMDIRMBOQSJPU-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(C4CCN(C5COC5)CC4)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADSRQSZSPYHKJ-UHFFFAOYSA-N", "SMILES:CN(C)CC(C)(C)COc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRXOGDLTJQMOH-UHFFFAOYSA-N", "SMILES:CN1CCC(COc2cc(NC(=O)N3CCCc4cc(C(F)F)c(C=O)nc43)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCGEVIWTWEHBE-UHFFFAOYSA-N", "SMILES:CN(C)CC(C)(O)CNc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLEFUSZBZSSQHZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGFNXKJQQVMYQI-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKLLFMPSJSCSDN-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSIDNMVOWOKBD-MRXNPFEDSA-N", "SMILES:N#Cc1cnc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)cc1O[C@@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRAVIOIIKVUFT-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNJLKERWZGKXBF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUZCRJHSPUIHJ-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXBPLRFFIZKKDS-SMABIVBASA-N", "SMILES:CC(C)COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(C#N)c(N[C@H]2[C@@H](C(N)=O)[C@@H]3C=C[C@H]2C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLGUWBQKZJAXCG-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMIQOTMTEKRJFD-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N(C)c2ccc(CN3CCN(C)CC3=O)c(C=O)n2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODGIYJISIWJCTG-QGZVFWFLSA-N", "SMILES:COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODGIYJISIWJCTG-KRWDZBQOSA-N", "SMILES:COC[C@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTLARXIVBWEUOC-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN4C(=O)CN(C)CC4(C)C)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQYVTXLPVZUDJ-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)C(C)(C)C4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBSWJUHXCHFLP-FQEVSTJZSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@@H](N(C)C)CC4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBSWJUHXCHFLP-HXUWFJFHSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@H](N(C)C)CC4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYFBASNRPLTOSW-UHFFFAOYSA-N", "SMILES:CN(C)CC1(O)CCN(c2cc(NC(=O)N3CCCc4cc(CO)c(C=O)nc43)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWXYIWRCALKTTD-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSIDNMVOWOKBD-INIZCTEOSA-N", "SMILES:N#Cc1cnc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)cc1O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNYAZIURZHFKEG-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(C(F)(F)F)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJIYJAVKBUOHN-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZFAAIFZYUQWGO-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(COC)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTLBVODLXUYNU-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZPDDMTAVNRHG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)N2CCCc3cc(C4CC4)c(C=O)nc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAEJXGBYNDWUDJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)N2CCCc3cc(Cl)c(C=O)nc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXNZAVZZAPTZBP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHOAWYIRASPLAH-UHFFFAOYSA-N", "SMILES:Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDOLOIPFRWACGW-UHFFFAOYSA-N", "SMILES:CC1(O)CCN(c2cc(NC(=O)N3CCCc4ccc(C=O)nc43)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTZMJBMNBAPUKS-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVKVDHCJPYHLM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3977760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTDXKXOGRYYPI-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYVSSQRZIKZEKQ-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N(C)c2ccnc(C#N)n2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XENDLIDSVUNZKM-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(C(C)N(C)C(C)=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYSXMGILYNNJX-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHNXXQTDZYPIK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)S(C)(=O)=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOWRSVLYIIVOM-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(OC(C)C)c(C#N)cn1)CCC2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYVKHZZBBRVBSG-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXBQEWDXXHAXIW-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)COC)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKJUYQHJGNWARG-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)C(C)C)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNDWVUOVTWIWKZ-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSQVANACZJNWAP-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NC(C)C)c(C#N)cn1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXYJJTWOBBDBT-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(N4CCOCC4=O)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFHKNWFGGBERAE-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(C4CCN(C5COC5)CC4)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNUSCTSBAMRJQX-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(C4CCOCC4)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVYQBCUCNUOGS-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(-n4cnc(C)c4)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIZHAMYZMYCFRR-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(-c4cccnc4)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRREISSIXYRMU-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(-c4ccnn4C)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXONHZJFUFKCMG-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(-c4cnc(C)s4)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGMBBPPVCVYNF-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFNOJIJYDCXJL-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3cc(Br)c(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEJJPPKGPWIICR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCc3ccc(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUKOOYOYANHUBB-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKJNWLQWOLODU-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N(C)c2cccc(C=O)n2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQGSPLYTJZPPPW-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N(CCOC)c2cccc(C=O)n2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONCQYFCOPAEKF-UHFFFAOYSA-N", "SMILES:COc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBNIEIXGGYJKIK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)N2CCCCc3ccc(C=O)nc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBZZOSDXFVIAW-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGAIPYOYLQSXCV-UHFFFAOYSA-N", "SMILES:O=Cc1nc2c(C(=O)Nc3ccc(C(F)(F)F)cn3)cccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYSMNZMDUNPSS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)N2CCCc3cc(N)c(C=O)nc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRSRHEKCWDTVRL-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSSWPHPEXHXST-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)N2CCCc3cc(CC(=O)O)c(C=O)nc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOMHDVZACCJNG-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cc(NC(=O)N2CCCc3cccnc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQRKSLOFGBOPF-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSOMEPNRURTMFY-UDQAZMFFSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"name": "Spike glycoprotein", "xref": ["CHEMBL.TARGET:CHEMBL4802007"], "id": "UniProtKB:P59594", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:694009"]}
{"name": "mRNA cap guanine-N7 methyltransferase", "synonym": ["mRNA cap guanine-N(7) methyltransferase"], "xref": ["CHEMBL.TARGET:CHEMBL4295662"], "id": "UniProtKB:O43148", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNNVPNDNHYUETQ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2cc(NC(=O)c3ccc(CN4CCCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMNOONRTRKCEM-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2cc(NC(=O)c3ccc(CN4CCC(O)CC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CASAEGHHBDIKJH-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2cc(NC(=O)c3ccc(CN4CCOCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHAYXQTEHIOIY-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSPZDJJNHNABKD-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(NC(=O)c3ccc(CN4CCN(CCO)CC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPYOBUWRPYBSAZ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(NC(=O)c3ccc(CN4CCCCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXKGXKOOGFYEMB-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(NC(=O)c3ccc(CN4CCCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYPGHFZZMKGHD-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUXYVLLBKFEGY-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(NC(=O)c3ccc(CN4CCC(O)CC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZZHPGGEJALSTB-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(NC(=O)c3ccc(CN4CCOCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNWJTTXXMKZLU-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2cc(-c3nc(CN4CCN(CCO)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATQHJYHYVHOES-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJCSMCNGNQFOO-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(-c3nc(CN(CCO)CCO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHBFJHTPOQFAD-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNBZEHBMDOKSTG-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMKGZZSCPIIDCB-WGPBWIAQSA-N", "SMILES:CCn1cc(C(=O)N/N=C2\\CCc3cc(OC)c(OC)cc32)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQGRXOLHLJRAV-XAZZYMPDSA-N", "SMILES:CCn1cc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIKVDQWCFPHOD-VFLNYLIXSA-N", "SMILES:CCn1cc(C(=O)N/N=C/c2ccc(F)cc2Cl)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXFLKXVEWADLE-KBVAKVRCSA-N", "SMILES:CCn1cc(C(=O)N/N=C(\\C)c2ccc(F)cc2F)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHAHTWJAIYGJY-AMVVHIIESA-N", "SMILES:CCn1cc(C(=O)N/N=C/c2coc3ccccc3c2=O)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILOKRJOHRSRBI-VFLNYLIXSA-N", "SMILES:CCn1cc(C(=O)N/N=C/c2ccc(F)cc2F)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPTOKIVGOZHQKA-VFLNYLIXSA-N", "SMILES:CCn1cc(C(=O)N/N=C/c2ccc(F)c(F)c2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRCWEGFICRDAR-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2cc(-c3nc(CN(CO)CO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTAFFIDSURDNOT-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJJLXRPFWULFQ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNRBNMZAVHSBR-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2cc(-c3nc(CN4CCN(CCO)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRDRGXHBBJXKK-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2cc(-c3nc(CN4CCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBYMCVHUKWQJC-HNNXBMFYSA-N", "SMILES:CCn1cc(C(=O)O)c2cc(-c3nc(CN4CCC[C@H]4CO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AITCXJSYWOZHHN-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPFWPAPWXBYPG-UHFFFAOYSA-N", "SMILES:CN(C)Cc1csc(-c2ccc3[nH]cc(C(=O)O)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHSSTHWHHWWSB-MOPGFXCFSA-N", "SMILES:C=C1CCN2Cc3ccc(OC)cc3[C@H]3CCCC[C@]32C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297224", "category": ["biolink:ChemicalEntity"], "name": "BLARCAMESINE", "xref": ["InChIKey:BOTHKNZTGGXFEQ-UHFFFAOYSA-N", "SMILES:CN(C)CC1CCOC1(c1ccccc1)c1ccccc1"], "synonym": ["Blarcamesine", "Blarcamesina", "Anavex 2-73", "Anavex", "Blarcamesine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73234", "category": ["biolink:ChemicalEntity"], "name": "CARBETAPENTANE", "xref": ["InChIKey:CFJMRBQWBDQYMK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1"], "synonym": ["Pentoxyverine", "Pentoxyverine", "Pentoxiverina", "Sedotussin"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL408867", "category": ["biolink:ChemicalEntity"], "name": "[11C]SA4503", "xref": ["InChIKey:UVSWWUWQVAQPJR-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297438", "category": ["biolink:ChemicalEntity"], "name": "T-817 MALEATE", "xref": ["InChIKey:RLUCYBFCLXANSO-BTJKTKAUSA-N", "SMILES:O=C(O)/C=C\\C(=O)O.OC1CN(CCCOCCc2ccc3sccc3c2)C1"], "synonym": ["T-817 maleate", "T-817ma", "J2.179.155E", "T-817MA"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHMJRNXGGXUSV-UHFFFAOYSA-N", "SMILES:CCOC1(c2ncc(-c3cccnc3)s2)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXAQXIYINHHQBZ-UHFFFAOYSA-N", "SMILES:CCOC1(c2ncc(-c3ccncc3)s2)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJFCASHCIKHCPX-IOWSJCHKSA-N", "SMILES:c1ccc(CO[C@H](c2ccccc2)[C@H]2CCN(Cc3ccccc3)Cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICVDIWBRFWVFIN-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCC(Cc3ccccc3)c3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMCLEAOQRNFDSI-UHFFFAOYSA-N", "SMILES:c1ccc(CC2CCN(CC3CCCCC3)Cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRLDSLIZKXOHLJ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)c(Cl)c1)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOJDIZKPQXLNQR-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2noc(CCCCN3CCOCC3)n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAOPZPCYTORJIT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CCCCN3C4CCCC3CCC4)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAVYDTNVJWGBFP-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(NCc2cccc(Br)c2)C2CCN(Cc3ccc(Br)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDIHXWCEJTAGO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCC(C(O)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJUJUPIVCGBPFW-UHFFFAOYSA-N", "SMILES:OC(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVFIFBBZNBHEJS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39900", "category": ["biolink:ChemicalEntity"], "name": "SPIPETHIANE", "xref": ["InChIKey:FPSFVONLLBIZFK-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CCc4ccccc4S3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGNLRKAAEJHUCK-UHFFFAOYSA-N", "SMILES:c1ccc(OCc2cc(OCCNC3CCC3)no2)cc1"]}
{"name": "Sigma non-opioid intracellular receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3465"], "id": "UniProtKB:O55242", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Sigma intracellular receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4802011"], "id": "UniProtKB:Q8VD00", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIIWPSZJPRONY-VOMCLLRMSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2C3COCC2C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBASHFBUWFTKDA-CHWSQXEVSA-N", "SMILES:COC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNGECQUMLKSMU-NEPJUHHUSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNGECQUMLKSMU-VXGBXAGGSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJZHUKKBXRODNV-OLZOCXBDSA-N", "SMILES:CC[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJZHUKKBXRODNV-CHWSQXEVSA-N", "SMILES:CC[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQPVPZKLCRFYOR-UPJWGTAASA-N", "SMILES:C[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)F)nc(N3CCOC[C@H]3C)n2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQKBQLVKBUCLZ-UPJWGTAASA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2[C@H](C)COC[C@@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQKBQLVKBUCLZ-AGIUHOORSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2[C@@H](C)COC[C@@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQKBQLVKBUCLZ-JHJVBQTASA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2[C@H](C)COC[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSLRLRWDYRBXAF-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC23CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKQHHNLLORGLD-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBXMMWSRUCMJH-TXEJJXNPSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBXMMWSRUCMJH-VXGBXAGGSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOC[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKBZXMKAPICSO-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSMAEGAXHVXJJR-GTAQQLQFSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(OCC#CC#CCOc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPHHVXYVXRXDJ-XDEIRPLDSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(OCC#CCOc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWUPVZHCBBTQOF-GTAQQLQFSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NCCOCCOCCNc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXOUWJUFWPWGDU-HWRHAAEYSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NCCCCCCCCNc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZXATJRZDXIBK-GGTVZAMOSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N[C@H]3CC[C@@H](Nc4ncnc5cc(OC)c(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc45)CC3)ncnc2cc1OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZXATJRZDXIBK-ZOGJLHJXSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N[C@H]3CC[C@H](Nc4ncnc5cc(OC)c(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc45)CC3)ncnc2cc1OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKSVPDGBZKRLN-PSWPKGPMSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NC[C@H]3CC[C@H](CNc4ncnc5cc(OC)c(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](C)NC)C6CCCCC6)cc45)CC3)ncnc2cc1OC)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQOLCZIFZFKZRR-FYAGNZIKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NC[C@H]3CC[C@@H](CNc4ncnc5cc(OC)c(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc45)CC3)ncnc2cc1OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQOLCZIFZFKZRR-XMOVKMLNSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NC[C@H]3CC[C@H](CNc4ncnc5cc(OC)c(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc45)CC3)ncnc2cc1OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXEGZDMTTKIGJJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANEWBEQUONTZSR-UHFFFAOYSA-N", "SMILES:O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)NCCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJOHTCRCFZECAY-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[nH]n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMLZGNWRAHQSQF-UHFFFAOYSA-N", "SMILES:O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)NCc1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQZMWAYMYKVNIH-UHFFFAOYSA-N", "SMILES:O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTGCTVJSFXCMA-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)Cc1nnc(-c2ccc3ncccc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIRDIKTUQVZCW-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2sc(-c3cc4ccccc4s3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDISKBCTNXZQH-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ncnc2cc(-c3ccc4[nH]ncc4c3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUXTEABCSHUTA-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCQGDBVLKOAHP-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYXRPMABDQJJR-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3cc4ccccc4s3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPPRPZWXKYNRR-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3cccc(OC(F)(F)F)c3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLVWVRBNTMOUSY-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3ccc(C(F)(F)F)cc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPQHIJZNQQGCB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBVVAHWIXVFNDQ-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXWLWJCESMJAZ-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3ccc(F)c(F)c3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDJXBPKIYACOJ-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3ccccc3F)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPLRAMSPEHGXJX-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3cccc(F)c3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCFYQGJMGXTPRS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGWMRKFZPUBMU-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3cccs3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDNGRNEECNYDP-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVTPTPXZZPLFIC-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3ccc(N4CCOCC4)cc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGXIFAWCXNJLT-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3cccc(N4CCOCC4)c3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZXYMRLGHGNYBT-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBOBTHCDTWTSBG-UHFFFAOYSA-N", "SMILES:C[S+]([O-])c1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITKDVLQZKEZLA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2cc3ncnc(SCC(=O)O)c3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXNHCQTGVIMIV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQJHYVVOZLCDH-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc2c(SCC(=O)O)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWOYBNZZSNGOO-UHFFFAOYSA-N", "SMILES:CSc1cccc(-c2cc3c(SCC(=O)O)ncnc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIOXYNRFSXKIMZ-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3ccc(OCc4ccccc4)cc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJLPWQSNHXMCS-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3ccc(Cl)c(Cl)c3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUYKWEJPYZQKSG-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ncnc2cc(-c3ccc(C4CC4)cc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFBSMDMONSBYHP-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMPKPSHIYIYJEW-UHFFFAOYSA-N", "SMILES:C=Cc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWXAHYZWZAJLV-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKPFFOXUSHHGR-UHFFFAOYSA-N", "SMILES:CC(C)Sc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAMBRBBRNQNGEE-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc2ncnc(SCC(=O)O)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGAUXZPSRLOEU-UHFFFAOYSA-N", "SMILES:CSc1cccc(-c2cc3ncnc(SCC(=O)O)c3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUYDAYLHPIQFFX-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2cc3ncnc(SCC(N)=O)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHFHRWXQDFKOB-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3CCO)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNAMGTOXAYLHLI-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CN(CCO)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPWKFOZVIGRJF-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(CCO)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBAFRBQGHLYAAB-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(CCCO)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVLXNRIQVFIVGY-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCC(N(C)CCO)CC3)c(F)c2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUJMQGNHPBPDQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2nc(Nc3ccc4c(c3)CCN(C(=O)CO)C4)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAOHJGCUOWGMSL-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(C(=O)Nc2cccc(Cl)c2)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKNKSNCIEABVEL-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYJCAOKDRHIHHY-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2nc(Nc3ccc4c(c3)CCN(CCCO)C4)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYZAUMMGRVGMX-UHFFFAOYSA-N", "SMILES:CCCNC(=O)N1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUJKRQNHUZYHEZ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cc3c(cc2F)CN(CCO)CC3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQFGRIIXMUNAH-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2nc(Nc3ccc4c(c3)CCN(CCO)C4)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCRMQJJKNWTHLZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2nc(Nc3ccc4c(c3)CCN(CCCCO)C4)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGOWOOULCGODNT-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2nc(Nc3ccc4c(c3)CCN(CCCCCO)C4)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUMDLGOMXXMLJ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(CCCCO)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWHXEGCUWAXMAQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(CCCCCO)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXLHRMYSOCEGAO-UHFFFAOYSA-N", "SMILES:CCOCCN1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLZPMRNWPULJX-UHFFFAOYSA-N", "SMILES:CCCCN1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOPKLDOXJYJAC-UHFFFAOYSA-N", "SMILES:C=CCN1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNNEVCRUSEFPL-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(CC#N)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIWOZGLEJCAIM-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(CCC#N)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOXYZQSETQEPGB-UHFFFAOYSA-N", "SMILES:C#CCN1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWWMLQKGGMJEW-UHFFFAOYSA-N", "SMILES:CC#CCN1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNPFKOUEKQSDK-AATRIKPKSA-N", "SMILES:COC(=O)/C=C/CN1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GICGUXZXGOXVAT-UHFFFAOYSA-N", "SMILES:COC(=O)CCCN1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQLNVNONUBTYRF-VAWYXSNFSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(C(=O)/C=C/C(=O)c2ccccc2)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHWJXBANKVFCJG-VAWYXSNFSA-N", "SMILES:Cc1ccc(C(=O)/C=C/C(=O)N2CCc3cc(Nc4ncc(C)c(-c5cnn(C(C)C)c5)n4)ccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXPIHFAECWCDV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)CCC(=O)N2CCc3cc(Nc4ncc(C)c(-c5cnn(C(C)C)c5)n4)ccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SURRDPSGERGIIM-VOTSOKGWSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(C(=O)/C=C/CN(C)C)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVRPDIZAKOBGX-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(C(=O)CCCN(C)C)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNRUIWMOAHSUGQ-SNAWJCMRSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(C/C=C/C(=O)O)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPOGQKLMDVMRPR-BQYQJAHWSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(C/C=C/C(=O)NCCN2CCCCC2)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXYLZDFHZWFDW-BQYQJAHWSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN(C/C=C/C(=O)NC(C)(C)C)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEJYYBYZPRLYLD-CMDGGOBGSA-N", "SMILES:CCN(CC)C(=O)/C=C/CN1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIWQBMAKMSFMQT-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CN(CC#N)CC3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHTYRVSKALHZIL-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(n2)CCN(CCCO)C3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITYQAIVKIUCNTN-VOTSOKGWSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CN(C(=O)/C=C/CN(C)C)CC3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQBKMBBBWFAMFH-VAWYXSNFSA-N", "SMILES:Cc1ccc(C(=O)/C=C/C(=O)N2CCc3ccc(Nc4ncc(C)c(-c5cnn(C(C)C)c5)n4)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFFTJCASGWMLO-AATRIKPKSA-N", "SMILES:COC(=O)/C=C/CN1CCc2ccc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGKXJMVLXBHIE-VAWYXSNFSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CN(C(=O)/C=C/C(=O)c2ccccc2)CC3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWJSFVCONTZMIO-KKJNKLJWSA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ncc2N)C[C@@H](O)[C@@]1(O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJODAYYMQPHCRE-FTMGGNRSSA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3ncccc3F)ccc2N)C[C@@H](O)[C@@]1(O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXVXKOPUJQFJEO-IBUDROQVSA-N", "SMILES:CC[C@]1(O)[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(-c3ncccc3F)ccc2N)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCLVTVRXGXXOR-FTMGGNRSSA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3ncccc3F)ccc2N)C[C@@H](O)[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSQICYAVGRGRCW-CPBVFMMISA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)C[C@@H](O)[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJKFTSCVWNMCE-KKJNKLJWSA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ncc2N)C[C@@H](O)[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWDZFLVIDHMWDQ-MJLIWNJOSA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)C[C@@H](O)[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODZZYKUYGVLOTQ-ONJZCGHCSA-N", "SMILES:C[C@H]1CN(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3651898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUOBKQMEZQEJEO-ZNMIVQPWSA-N", "SMILES:C[C@@H]1C[C@H](O)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3652011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISMIGRIJQYZHW-NXTZNFLJSA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRJPWULDYZVOK-CPBVFMMISA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](O)[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCBESCJVOEVGC-APWSAUDXSA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C[C@@H](O)[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOFOMUKPTQCOQX-FTMGGNRSSA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccnc(-c3c(F)cccc3F)n2)C[C@@H](O)[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNYOROEWXANDC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACUWBJOGWUMHF-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZLYYSRDPJOHB-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CC3(COC3)C2)cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDHSJBNVVYBOFE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRHNLQKGDBMGK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOWILGTRNUHPQ-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3c2CCCCC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFIBRDFTONIULJ-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c3c2CCCCC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYBAQLWKWXUON-UHFFFAOYSA-N", "SMILES:CNC(=O)c1[nH]c(C)c2c1CCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNAKDFZAWQEEO-IBGZPJMESA-N", "SMILES:CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@H]2CCCN(C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCGVENSOXCWCNF-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCc2c(O)ccc3cccc(O)c23)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDRREOUMKACNJ-BKMJKUGQSA-N", "SMILES:Cc1cc(=O)n(C)c2cc(N3C(=O)CC[C@H](NS(=O)(=O)CC(C)C)[C@H]3c3ccc(Cl)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWKZHXOPFNEQRT-HNNXBMFYSA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccccc2)c(=O)n2cc(F)ccc2c1-c1ccc(C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEXDIWYWANOVIK-ZDUSSCGKSA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccccc2)c(=O)n2cc(F)ccc2c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OACRRIRKPJAVFE-KRWDZBQOSA-N", "SMILES:Cc1nc(N)nc(N[C@@H](C)c2c(-c3ccccc3)c(=O)n3cc(F)ccc3c2-c2ccc(F)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNRUZKZKCQJDGX-HNNXBMFYSA-N", "SMILES:Cc1nc(N)nc(N[C@@H](C)c2c(-c3ccccc3)c(=O)n3cc(F)ccc3c2C)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUUKLQYBLWUEU-HNNXBMFYSA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccccc2)c(=O)n2cc(F)ccc2c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCMIJCXWCRQBL-INIZCTEOSA-N", "SMILES:COc1ccc(-c2c([C@H](C)Nc3nc(N)nc(N)c3C#N)c(-c3ccccc3)c(=O)n3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJGQDNKZPBXSZ-INIZCTEOSA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccccc2)c(=O)n2cc(F)ccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUIUAIBUGUGRX-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(C2CC2)c(=O)n2cc(F)ccc2c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGMJZGUJLIHCCC-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNLVAWZSRLJEO-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNGKNLLIJRUUIP-ZDUSSCGKSA-N", "SMILES:Cc1cccc(-c2c([C@H](C)Nc3nc(N)nc(N)c3C#N)cc3ccc(F)cn3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNGBTBSCVESON-ZDUSSCGKSA-N", "SMILES:Cc1nc(N)nc(N[C@@H](C)c2cc3ccc(F)cn3c(=O)c2-c2ccccc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSHWKFPRWQRASS-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHNSCKGYHQCHA-ZDUSSCGKSA-N", "SMILES:Cc1c([C@H](C)Nc2nc(N)nc(N)c2C#N)c(-c2ccccc2)c(=O)n2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUKLDOKAFEANB-ZDUSSCGKSA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1c(C2CC2)c(=O)n2cc(F)ccc2c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHBYHIZGYWPKA-ZDUSSCGKSA-N", "SMILES:Cc1c([C@H](C)Nc2ncnc(N)c2C#N)c(-c2ccc(F)cc2)c2ccc(F)cn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUITLHLLULTOV-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPMJFPNKMBLEL-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBSYEROCKEAIL-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOVJCADMJXITH-ZDUSSCGKSA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJAMEJYJLCVEX-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXEMDKKYLHPSAP-LBPRGKRZSA-N", "SMILES:Cc1cc(F)cc(-c2c([C@H](C)Nc3nc(N)nc(N)c3C#N)cc3ccc(F)cn3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEKNBNVBYJPBSS-ZDUSSCGKSA-N", "SMILES:C[C@H](Nc1nc(N)ncc1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGHVFQKTEHYINV-ZDUSSCGKSA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWYXGHYTWATCV-ZDUSSCGKSA-N", "SMILES:Cc1c(F)ccc2cc([C@H](C)Nc3ncnc(N)c3C#N)c(-c3ccccc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHRMGXHMRVDXMF-HNNXBMFYSA-N", "SMILES:Cc1cccc2cc([C@H](C)Nc3ncnc(N)c3C#N)c(-c3ccccc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVREMBQLLCOLN-HNNXBMFYSA-N", "SMILES:Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)c(-c3ccccc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMCYTGUCZNUCEG-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSGSOMLMAWBYMY-ZDUSSCGKSA-N", "SMILES:Cc1nc(N)c(C#N)c(N[C@@H](C)c2cc3ccc(F)cn3c(=O)c2-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKIIJNWTSFZAX-AWEZNQCLSA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccccn2c(=O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOZUOSYVNYMPT-LBPRGKRZSA-N", "SMILES:Cc1nc(NC(=O)N2CCC[C@H]2C(=O)O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPMWYFVHFHAVSY-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOOAKJXOWGDLDR-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCKGQSBZSWGEJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ccc(Nc3ncnc4ccc(NC(=O)CN5CCN(C)CC5)cc34)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVBXEUVFSSVAB-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)Nc2ccc3ncnc(Nc4ccc(Oc5cccc(F)c5)c(Cl)c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTBCEXDNJRORO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ncnc(Nc3ccc(Oc4cccc(F)c4)c(Cl)c3)c2c1)c1ccc(CNCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYOVFHEDBUDLO-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2ccc3ncnc(Nc4ccc(Oc5cccc(C(F)(F)F)c5)c(Cl)c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWOVJYYCKNJHNU-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ccc(Nc3ncnc4ccc(NC(=O)CNCCO)cc34)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGCMOYPTTKXLIU-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3637894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQYAAXZGKIYMG-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGQYDXDAYUFKRH-UHFFFAOYSA-N", "SMILES:O=C(CNCCO)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSKFZONQWBJNS-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(F)c4)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRHIVKCAVBTNNH-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2ccc3ncnc(Nc4ccc(Oc5cccc(F)c5)c(Cl)c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQFHMEVGZKHGGF-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWZQNNVEQGQAV-VWRRVXQQSA-N", "SMILES:CCCCCCCCCCCCCC[C@H]1NC[C@H](N)[C@@H]1O.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMQDDJCBIUKNB-ZCNNSNEGSA-N", "SMILES:N[C@H]1CN[C@H](CCCCCCCCCCCOC2CCOCC2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYTBDCORZMJDPS-KSZLIROESA-N", "SMILES:CC(C)COCCCCCCCCCC[C@H]1NC[C@H](N)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCJLIHVCGSNOR-HBMCJLEFSA-N", "SMILES:N[C@H]1CN[C@H](CCCCCCCCCCOCC2CCCCC2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGZOTCQFTFFOQP-ZCNNSNEGSA-N", "SMILES:N[C@H]1CN[C@H](CCCCCCCCCOCC2CCCCC2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201196", "category": ["biolink:ChemicalEntity"], "name": "SERTACONAZOLE", "xref": ["InChIKey:JLGKQTAYUIMGRK-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1"], "synonym": ["Sertaconazole", "Sertaconazole", "Sertaconazol", "Sertaconazole", "Demofix", "Sertaconazole", "FI-7045"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4792640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIKITUOGPNUKFY-UHFFFAOYSA-N", "SMILES:Brc1cccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEYWUAMILBORIV-UHFFFAOYSA-N", "SMILES:Brc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIIGDQFNOKUFT-UHFFFAOYSA-N", "SMILES:Fc1cc(C(Cn2ccnc2)OCc2nc3ccccc3s2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRKPTZYGLIKONH-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDHSVXCXYPTBC-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C(Cn1ccnc1)OCc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYOTGVBFVXZBT-UHFFFAOYSA-N", "SMILES:Clc1cccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNBNJRWSRUFVTF-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQXCIUECRAWBD-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJMVPXXTQPZCBP-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLSQVCOYAGWUNV-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLUUFLNJANHEW-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2cccnc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCZZAJFIDKWCY-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2ccsc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIRLMHQFQNKNN-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2cccc3ccccc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXSELAXQKMNOD-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2ccc3ccccc3c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEWLNAZXQOQLI-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGBLFPALCPDVLF-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3o2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTOSYXBBSVRNB-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)OCc2cc3ccccc3s2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGKFHPFIZYWPOI-RPWUZVMVSA-N", "SMILES:O=C(O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMIRULWTOGYHIG-RPBOFIJWSA-N", "SMILES:CN(CC1CCN(CCCc2ccc(C(=O)NO)cc2)CC1)[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZVXHLNIORJHPD-MOPGFXCFSA-N", "SMILES:O=C(NO)c1cnc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFOYTSDCOBGGC-MOPGFXCFSA-N", "SMILES:O=C(NO)c1coc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUXGDDNRFTYGCW-MOPGFXCFSA-N", "SMILES:O=C(NO)c1csc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONJAKTJSPHBUNM-IZLXSDGUSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCc3cc(CN[C@H]4C[C@@H]4c4ccc(F)cc4)ccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADLLDQAZUTCQB-RPBOFIJWSA-N", "SMILES:COc1ccc([C@H]2C[C@@H]2NCc2cn3c(n2)CN(CCCc2ccc(C(=O)NO)cc2)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWLSYOBVZBVGNU-YADHBBJMSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CC(CN[C@H]3C[C@@H]3c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCMUHXVQOVKIH-YADHBBJMSA-N", "SMILES:O=C(NO)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUHOELRKSJUYCN-PKTZIBPZSA-N", "SMILES:O=C(NO)c1ccc(CCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCINOBZMLCREGM-RNNUGBGQSA-N", "SMILES:Cl.Cl.NC1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWSJKJBRTAYFIO-IZLXSDGUSA-N", "SMILES:CN(C)CCNC(=O)c1ccc([C@H]2C[C@@H]2NCC2CCN(CCCc3ccc(C(=O)NO)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORPELBVCZFEBS-WDYNHAJCSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALIOKLWLFSTCV-IZLXSDGUSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHULANAKMSLMG-IZLXSDGUSA-N", "SMILES:Cc1noc(C)c1-c1ccc([C@H]2C[C@@H]2NCC2CCN(CCCc3ccc(C(=O)NO)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHYDLZPXYPVUIP-IZLXSDGUSA-N", "SMILES:Cn1cc(-c2ccc([C@H]3C[C@@H]3NCC3CCN(CCCc4ccc(C(=O)NO)cc4)CC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPZPSTHUSDFUKN-IZLXSDGUSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(-c4ccc(C(F)(F)F)nc4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWKPONIDAHKBK-WDYNHAJCSA-N", "SMILES:Cn1ccc(-c2ccc([C@H]3C[C@@H]3NCC3CCN(CCCc4ccc(C(=O)NO)cc4)CC3)cc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVPCLIKFVRZOSV-JSOSNVBQSA-N", "SMILES:N#Cc1ccc(-c2ccc([C@H]3C[C@@H]3NCC3CCN(CCCc4ccc(C(=O)NO)cc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGFMLQROEREMOV-IHLOFXLRSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(-c4ccc(F)cc4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZRBKNQECMLOJZ-IHLOFXLRSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(-c4ccc(Cl)cc4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWBPNWHUYTYXFB-JSOSNVBQSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(OCc4ccc(F)cc4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQQZDZUCNFOPJH-RPBOFIJWSA-N", "SMILES:COc1ccc([C@H]2C[C@@H]2NCC2CCN(CCCc3ccc(C(=O)NO)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYSURNBQUNXFM-RPWUZVMVSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACUHRDPZRXYSI-RPWUZVMVSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACUHRDPZRXYSI-BJKOFHAPSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWZPUZSQYZWATJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCOc1ccc(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWDVJSHQMLALO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)(C)Oc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYAITNCSDCLBW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)Oc1ccc(-c2nc3c(cnn3-c3ccc(OC)cc3)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUVYLSSFQXGPRC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)Oc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVDKPEIWDCHHAV-UHFFFAOYSA-N", "SMILES:N#CCCn1nc(-c2ccc(-c3ccccc3)cc2)oc1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRDKKDRDHMBJBS-UHFFFAOYSA-N", "SMILES:N#CCCn1nc(-c2ccc(-c3ccccc3)cc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXAQDNHMCJIVSL-UHFFFAOYSA-N", "SMILES:N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQRLSJFUHYIFW-UHFFFAOYSA-N", "SMILES:O=c1oc(-c2ccc(OCc3ccccc3)cc2)nn1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBWUKXWSNXXLOG-UHFFFAOYSA-N", "SMILES:N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDJQHWNBEOGUML-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cnc(-c3ccccc3)nc2)cnc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMUUNGLVTVUMPW-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)[nH]c1-c1cnc(-c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLASLHGUVHZKD-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ncc(-c3cnc(-c4cccnc4)s3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYCLUMTXRWBELE-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ncc(-c3cnc(-c4cccnc4)[nH]3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRQTUESDJOPFQT-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1nc(-c2cccc(-c3ncc(-c4cnc(-c5ccccc5)nc4)[nH]3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRROMORCKFOQF-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1nc(-c2cccc(-c3ncc(-c4cnc(-c5ccccn5)nc4)[nH]3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXSONUIFDZRYBR-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1nc(-c2cccc(-c3ncc(-c4ccc(-c5ccccn5)nc4)[nH]3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREXRUJNPDCSLY-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1nc(-c2cccc(-c3ncc(-c4ccc(-c5ccccc5)nc4)[nH]3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3978032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBZLUILMRUPZDN-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ncc(-c3cnc(-c4ccccc4)[nH]3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUQZQRIEPIIJR-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ncc(-c3cnc(-c4ccccn4)nc3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTIJFNURMIREQH-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ncc(-c3ccc(-c4ccccn4)nc3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRPAWBWBSNMJX-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(-c3cnc(-c4ccccc4)[nH]3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHLQZMQMPLHLOK-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1nc(-c2cccc(CNC(=O)c3cnc(-c4ccccc4)nc3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPQLMGVZUJTPHA-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1nc(-c2cccc(CNC(=O)c3ccc(-c4ccccn4)nc3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIURQTKBZMEJGR-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1nc(-c2cccc(CNC(=O)c3ccc(-c4ccccc4)nc3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCIIIGVOPRGRW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cnc(-c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMPVKYGXRIGTJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cnc(-c2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBKVKFYYCIKHP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc(-c2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQCYJWJSNSSBF-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc(-c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJCLAPUACUQZOV-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1nc(-c2cccc(CNC(=O)c3cnc(-c4ccccn4)nc3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZAYWLHOCAKXHF-ZHVPDQJESA-N", "SMILES:O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4173249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMQZMHHAWZDJOJ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c(-c3ccc(O)c(OC)c3)coc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1084924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVCZEZUJCMWBBR-YMQHIKHWSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4798291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSUOKCMHPQUHR-YMQHIKHWSA-N", "SMILES:O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486176", "category": ["biolink:ChemicalEntity"], "name": "PSEUDOBAPTOGENIN", "xref": ["InChIKey:KNJNBKINYHZUGC-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4754516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFVNHDVACUBPJU-TUYFOBMESA-N", "SMILES:COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3ccc4c(=O)c(-c5ccc(O)c(O)c5)coc4c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTRESCBLHTEBP-NSVJHVEFSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTFEWPVEAQUKO-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(CCc3c(F)c(OC)cc(OC)c3Cl)cn2)ccc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LALJBBGYSJSPKS-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)nc2)c(F)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUURNUDMSWVVCL-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(CCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEWPEYSVPSJDAU-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(CCc3c(Cl)c(OC)cc(OC)c3Cl)cn2)ccc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUAGHSLAXIUKF-UHFFFAOYSA-N", "SMILES:COc1cc(COc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)nc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQDKDNMUVCEEAO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(OCc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTAFHTVOQVOCCA-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)nc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RODBITUFGDMJBB-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)nc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUPKQUZJLKTYOA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)Nc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)nc2Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDFXHPUSEWMMLE-UHFFFAOYSA-N", "SMILES:CC1(C)CC(Nc2cnc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C(F)C(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMNETVRMIRSHC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC1CCN(c2ncc(-c3ccc(-c4c[nH]nc4C#N)cc3O)nn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUDCBXWRQQJKZ-UHFFFAOYSA-N", "SMILES:CN(c1cnc(-c2ccc(-n3nccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAQQEOIIQZKOT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYDOWDXTCLYQEM-UHFFFAOYSA-N", "SMILES:CN(c1cnc(-c2ccc(-c3cn[nH]c3F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFHXYJYWZLBLR-UHFFFAOYSA-N", "SMILES:CN(c1ncc(-c2ccc(-c3ncco3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIWCTPHOGOQOTQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)NC3COC3)c2)c1)Nc1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANCCTLHKRLRSAF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)NC3COC3)c2)c1)Nc1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWQYJBFPZCBRH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)NCC3CCOCC3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVAOTNNZQMZSM-GFCCVEGCSA-N", "SMILES:Cc1sc(C(=O)N[C@@H]2CCOC2)cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1"]}
{"name": "Mitogen-activated protein kinase 10", "xref": ["CHEMBL.TARGET:CHEMBL4092"], "id": "UniProtKB:P49187", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVKFPPNOMNINZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)NC3COC3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCVTCDIBTUNEL-UHFFFAOYSA-N", "SMILES:Cc1sc(C(=O)NC2COC2)cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXBTYNWEFNKOR-GFCCVEGCSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)N[C@@H]3CCOC3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXHIICHKQPOOEC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)NC3CCOCC3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHRCFUDNMXTGNY-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2cc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSPGYOROKVJHTA-ZDUSSCGKSA-N", "SMILES:CN1CC[C@H](NC(=O)c2cc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)cs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPWAJUXPIZNIX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)NC3CC3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICEHLXOJLXPHOH-HNNXBMFYSA-N", "SMILES:CN1CCC[C@H]1CNC(=O)c1cc(-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCEDADZCWDKRNJ-CYBMUJFWSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)NC[C@H]3CCOC3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZILWEQNTUQYRDZ-CQSZACIVSA-N", "SMILES:CN1CC[C@H](CNC(=O)c2cc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)cs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKBDYGQYOQREK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)NCC3CCNCC3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXZADLHKFAMEG-UHFFFAOYSA-N", "SMILES:CN1CCC(CNC(=O)c2cc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLMFIFNLPZEAY-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2cc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)cs2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIMQPXLFWQMIR-HNNXBMFYSA-N", "SMILES:CC(C)N1CC[C@H](NC(=O)c2cc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)cs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSPGYOROKVJHTA-JJMJVRKHSA-N", "SMILES:[2H]C([2H])([2H])N1CC[C@@H](NC(=O)c2cc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)cs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSPGYOROKVJHTA-CYBMUJFWSA-N", "SMILES:CN1CC[C@@H](NC(=O)c2cc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)cs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCHPGFCBVJEMLI-GFCCVEGCSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)N[C@@H]3CCNC3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCITVDGKUVOJP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2csc(C(=O)NC3CNC3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQBWSUTLCKKFK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2cc(C(=O)NC3CNC3)cs2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRFBRFSMJDVQF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2ccc(C(=O)NC3CNC3)s2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYRYAZSGQNDTJW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZWJTPQMGLFQCE-UHFFFAOYSA-N", "SMILES:CCOc1cc2nc(CCC(C)(C)C(=O)OC)n(C)c2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHWDDYZFKUHHMW-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1C(=O)N1CCN(Cc2nc3ccccc3n2CC(C)(C)C)CC1"]}
{"name": "Mitochondrial inner membrane m-AAA protease component AFG3L2", "xref": ["CHEMBL.TARGET:CHEMBL4802020"], "id": "UniProtKB:Q9Y4W6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NmrA-like family domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4802017"], "id": "UniProtKB:Q9HBL8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTMDZMLIMLRHJ-TZEXNLEWSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCNC(=O)COc2cnc3c(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)ncnc3c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQAWPCMPVJQKHO-UHFFFAOYSA-N", "SMILES:Clc1cc2[nH]cnc2c(NCc2ccco2)n1"]}
{"name": "Frataxin, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2321640"], "id": "UniProtKB:Q16595", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRXBPPWUGITQLE-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CN3CCCCC3C(=O)O)cc2Br)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYCBJYYEIKRIBR-QFIPXVFZSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCC[C@H](O)C6=O)ccc54)ncn3)CC2)n1"]}
{"name": "Glucose-dependent insulinotropic receptor", "xref": ["CHEMBL.TARGET:CHEMBL5262"], "id": "UniProtKB:Q7TQN8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "glucose-dependent insulinotropic receptor", "synonym": ["Glucose-dependent insulinotropic receptor"], "xref": ["CHEMBL.TARGET:CHEMBL4802021"], "id": "UniProtKB:A0A1U8CD06", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10036"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMKZIUSYXNGFZ-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)c1ccc2c(c1)CCN2c1cc(OC2CCN(c3nc(C(C)C)no3)CC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHJMKUTVMICTB-UHFFFAOYSA-N", "SMILES:CC(C)SC(=O)N1CCC(Oc2cc(N3CCc4cc([S+]([O-])CCO)ccc43)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URFSWOFOTNTFBZ-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc([S+]([O-])CCO)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWRQDAOLNNWRIK-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(S(=O)(=O)CCO)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEOVTXYJBHMJJM-UHFFFAOYSA-N", "SMILES:CC(C)SC(=O)N1CCC(Oc2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3112602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUIYGHMSCMOGP-UHFFFAOYSA-N", "SMILES:CCc1cnc(N2CCC(C(C)COC(=O)N3CCc4cc(S(C)(=O)=O)cc(F)c43)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALAMXYQQAKXSLD-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(S(C)(=O)=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKBHCJUKUHAAIS-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)N1CCC(Oc2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCJVZEMRYAVJAO-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCOCC6=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQKGSURDUWLIQB-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(C6CCCCC6=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYAUNEVGWCYXIN-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCNCC6=O)ccc54)ncn3)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMIQACDTPPXGNP-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCCS6(=O)=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFABNFPFYHNDOQ-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCCNS6(=O)=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYCBJYYEIKRIBR-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCCC(O)C6=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAIIWEMCNMMQNI-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCC(O)CC6=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRQOJKMDJYYKS-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CC(O)CCC6=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYCBJYYEIKRIBR-JOCHJYFZSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCC[C@@H](O)C6=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDNZTAFYUJKHKJ-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCCC6=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQPZDLICYVLELT-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCCCC6=O)ccc54)ncn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFDDTDKCZCGJLM-HAQNSBGRSA-N", "SMILES:CN1C(=O)c2c(F)cccc2Oc2cc(N[C@H]3CC[C@H](O)CC3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBWCJYFVVHOTAZ-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N2CCC(N3CCCC3)CC2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCQYSVFUPULSL-HDJSIYSDSA-N", "SMILES:CN1C(=O)c2ccccc2N(C)c2cc(N[C@H]3CC[C@H](O)CC3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUMVFUXUAZHFMC-XYPYZODXSA-N", "SMILES:CN1C(=O)c2c(F)ccc(F)c2Oc2cc(N[C@H]3CC[C@H](O)CC3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMHYPFNJWLHCSC-JOCQHMNTSA-N", "SMILES:COc1cccc2c1Oc1cc(N[C@H]3CC[C@H](O)CC3)ncc1N(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKFSPULHWZLFO-HAQNSBGRSA-N", "SMILES:CN1C(=O)c2cccc(Cl)c2Oc2cc(N[C@H]3CC[C@H](O)CC3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOAKYADZOXRGRX-HAQNSBGRSA-N", "SMILES:CN1C(=O)c2cccc(F)c2Oc2cc(N[C@H]3CC[C@H](O)CC3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSFKTZILAAWFE-JOCQHMNTSA-N", "SMILES:CN1C(=O)c2ccccc2Oc2cc(N[C@H]3CC[C@H](O)CC3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLWIRLELDNISR-OXJNMPFZSA-N", "SMILES:CCO[C@@H]1CCCC[C@@H]1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKQVNTYVFSSIE-WKILWMFISA-N", "SMILES:CCO[C@H]1CC[C@H](Nc2cc3c(cn2)N(C)C(=O)c2ccccc2N3C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCQYSVFUPULSL-OKILXGFUSA-N", "SMILES:CN1C(=O)c2ccccc2N(C)c2cc(N[C@H]3CC[C@@H](O)CC3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXFXWHDZNCBBBF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc([N+](=O)[O-])c1Oc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGMZQTUMNAUXSM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJYCBSLZYFFMD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2ccccc2F)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMOMHWTRWMDBT-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJTHFMCXPLYBAK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVUWKGENAGXJN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2ccc(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCAKTXIGRVECX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVUVVNYXQZPNA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2ccc(F)cc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1562220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRAMZMIQUBNMG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccnc1Oc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVLXZKPJQVEUKM-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTAOHWLDOHCYNA-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2c(O)cc(C(=O)c3cccs3)cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSOYNRGFUZBKR-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2c(O)cc(C(=O)c3ccccc3)cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHQCBYYVWDOOC-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1cc(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILQKQJGNQPIPM-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1cc(O)c(-c2cc(F)cc(F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELNQBYHIYPPJM-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)c(-c2cccc(CO)c2)c(O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCVWIQCOIVCBIX-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)c(-c2cc(Cl)ccc2Cl)c(O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEJCOAANWJVQN-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)c(-c2cccc(C(F)(F)F)c2)c(O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLKGTSPOBHCEJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1cc(O)c(-c2ccoc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZLCRGDLEDOHCD-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2c(O)cc(C(=O)c3ccccc3)cc2O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULEDYNXNHWUZCC-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1cc(O)c(-c2cccc(CO)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHNJJPYLZPVGE-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1cc(O)c(-c2ccc3c(c2)OCCO3)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTWCENQSSDZJFV-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1cc(O)c(-c2cc(Cl)ccc2Cl)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGFOURPPWFBHT-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1cc(O)c(-c2cccc(C(F)(F)F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZFSEFXZZPPHMO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c4cc(OC)c(O)cc4[nH]c(=O)c3n3ccc4cc(O)c(OC)cc4c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDKWMOSJYFNNQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c4cc(OC)c(OC)cc4[nH]c(=O)c3n3ccc4cc(O)c(OC)cc4c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXMKBNABPYTSFC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c4cc(OC)c(OCCCN(C)C)cc4[nH]c(=O)c3n3ccc4cc(O)c(OC)cc4c23)cc1O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQNRVTDGQKWJQD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c4cc(O)c(OCCCN(C)C)cc4[nH]c(=O)c3n3ccc4cc(O)c(OC)cc4c23)cc1O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUDZTKIFNLAIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c4cc(OCCCN(C)C)c(O)cc4[nH]c(=O)c3n3ccc4cc(O)c(OC)cc4c23)cc1O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLPOFVRAROIJLB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c4cc(OCCCN(C)C)c(OCCCN(C)C)cc4[nH]c(=O)c3n3ccc4cc(O)c(OC)cc4c23)cc1O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958686", "category": ["biolink:ChemicalEntity"], "name": "REMOGLIFLOZIN", "xref": ["InChIKey:GSINGUMRKGRYJP-VZWAGXQNSA-N", "SMILES:Cc1c(Cc2ccc(OC(C)C)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1C(C)C"], "synonym": ["Remogliflozin", "Remogliflozin a"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJMLDQRJZAXGJ-VZWAGXQNSA-N", "SMILES:CCCn1nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cc2ccc(OC(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUBJYPLHJGTOJ-JPVHLGFFSA-N", "SMILES:CCn1nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cc2ccc(OC(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEGCGQKAJATODU-YRIDSSQKSA-N", "SMILES:Cc1c(Cc2ccc(OC(C)C)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQFYTOQBHMPXFY-NUABRCLCSA-N", "SMILES:Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(OC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVGKYLXCXINLV-NUABRCLCSA-N", "SMILES:CCCOc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPHSDWUPQNDLM-ILYVXUQDSA-N", "SMILES:CCOc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXZRLHXGESMVDH-QFXBJFAPSA-N", "SMILES:COc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNVTWGKRBMBFDD-NUABRCLCSA-N", "SMILES:Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHXWVDPUNDPDT-NUABRCLCSA-N", "SMILES:CCCc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVDTKXHUHCPPZ-ILYVXUQDSA-N", "SMILES:CCc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUAVJYAANZNDL-QFXBJFAPSA-N", "SMILES:Cc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXACTDVVIZWHB-QFXBJFAPSA-N", "SMILES:Cc1cccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJUYNAFJJAFQR-QFXBJFAPSA-N", "SMILES:Cc1ccccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFXJMLEXODECX-UVPIGPOJSA-N", "SMILES:OC[C@H]1O[C@@H](Oc2n[nH]c3cccc(CCc4ccccc4)c23)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJVOGQOZMHISC-ILYVXUQDSA-N", "SMILES:Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXUVNLMICNSGP-QFXBJFAPSA-N", "SMILES:Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFVXIEBOPMVNOI-GAGVYUBLSA-N", "SMILES:Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMIQVSDCEJLDOR-NWDGLCLDSA-N", "SMILES:CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJKMCXPZRFJSEC-ILYVXUQDSA-N", "SMILES:CCc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(SC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUBQUANDNHHKO-QFXBJFAPSA-N", "SMILES:CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRINXCTJKXHOY-MPZWGZMNSA-N", "SMILES:CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLKORPMBVPPDB-LBPRGKRZSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)[C@@H]1C(F)(F)C12CCN(S(N)(=O)=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSRNVKLQQHLHLE-NSHDSACASA-N", "SMILES:COc1ccc(Cl)cc1NC[C@@H]1CC12CCN(S(N)(=O)=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRYWYKHZRCMSQO-NSHDSACASA-N", "SMILES:COc1ccc(Cl)cc1SC[C@@H]1CC12CCN(S(N)(=O)=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQUEGQKMBRRIW-NSHDSACASA-N", "SMILES:NS(=O)(=O)N1CCC2(CC1)C[C@H]2COc1cccc(NCC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCJJUZLHDLGBL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)N1CCC2(CC1)C(COc1noc(-c3ccccc3)n1)C2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPZUVCIFLKUDMC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)N1CCC2(CC1)C(COc1ccnc(OC(F)F)c1)C2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IROSCZHDFQZJMT-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(OC)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCSVVDYCHAJWQS-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3nc4ccc(OCC(F)(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZJRVUNJOCVMT-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3nc4ccc(OCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTOGIZNZMXCPU-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3nc4ccc(OCC(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFMCTOWHKIARN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3ccc(OCC(F)F)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLIMLCYEFLSPIL-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3nc4ccc(OCCC(F)(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKXLRAMQMRIJU-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3nc4ccc(SCC(F)(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQIGXCZYULOKHV-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(OC(F)F)cc2)c2nc(OCC(F)F)ccc2nn1-c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLBVCXCQXXYIW-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])Oc1c2cc(-n3nc4ccc(OCC(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLQUJZBKBKRBU-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(OC(F)F)cc2)c2nc(OCC(F)F)ccc2nn1-c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSDXXXDFMCCRE-UHFFFAOYSA-N", "SMILES:CC(=N)N1CCC(Oc2ccc3c(c2)C(=O)NS(=O)(=O)N3Cc2ccc3ccc(C(=N)N)cc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDROMXDOUZADY-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(C(=O)NCCc2cc3ccccc3s2)Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUBGTPLYWUZEP-UHFFFAOYSA-N", "SMILES:O=C(O)CC1(C(=O)NCc2coc3ccccc23)Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUHCTIURNZXIX-UHFFFAOYSA-N", "SMILES:Cn1c(CNC(=O)C2(CC(=O)O)Cc3ccccc3C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHCNWGDMXZHYMZ-UHFFFAOYSA-N", "SMILES:Nc1cc(F)c(S(=O)(=O)N2CCC(O)CC2)cc1C(=O)Nc1ccc(F)c(C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEIYDDIGGBBWAM-UHFFFAOYSA-N", "SMILES:Nc1cc(F)c(S(=O)(=O)N2CCC(O)CC2)cc1C(=O)Nc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOBMJIBXRLXMAR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nnc(CCC(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSSNDLMMQDSMJ-IZZDOVSWSA-N", "SMILES:Cc1cc(/C=C/C(=O)O)c(C)n1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSMHUGITXBCHOK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)c(C)n1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYSUNLDUBPCKJ-UHFFFAOYSA-N", "SMILES:Cc1nc(CCC(=O)O)oc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVWPPPBZVXPUJD-UHFFFAOYSA-N", "SMILES:Cn1nc(CCC(=O)O)cc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMMMWACLXDXUMW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc(CCC(=O)O)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVWDHXFZSVWFRH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cn(CCC(=O)O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXJSXUCSQKTMW-MOSHPQCFSA-N", "SMILES:Cc1cc(/C=C2\\SC(=O)NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOONSDURONQDMT-BOPFTXTBSA-N", "SMILES:Cc1cc(/C=C2\\SC(=O)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKLGMHSYFYZQPL-MOSHPQCFSA-N", "SMILES:Cc1cc(/C=C2\\SC(=O)NC2=O)c(C)n1-c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXSPSKRYAJYQU-WQRHYEAKSA-N", "SMILES:Cc1cc(/C=C2\\SC(=O)NC2=O)c(C)n1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVNJXMBRFZVOQM-UHFFFAOYSA-N", "SMILES:Cc1cc(CCC(=O)O)c(C)n1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORQKDFNKRPPNAB-ZSOIEALJSA-N", "SMILES:Cc1cc(/C=C2\\SC(=O)NC2=O)c(C)n1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWNGYYCACVDNRN-ZSOIEALJSA-N", "SMILES:Cc1cc(/C=C2\\SC(=O)NC2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUUGTIADJVUDI-ZSOIEALJSA-N", "SMILES:Cc1cc(/C=C2\\SC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1550104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXIRJHLOCNKGFU-PDGQHHTCSA-N", "SMILES:Cc1cc(/C=C2\\SC(=O)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAVRDVHZGGEPJZ-TZMCWYRMSA-N", "SMILES:COc1cc(F)c2nc(N3CC[C@@H](F)[C@H](N)C3)n(Cc3ncc(Cl)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMDYGCQWLVHQD-CHWSQXEVSA-N", "SMILES:N[C@@H]1CN(c2nc3cc(F)ccc3n2Cc2ncc(F)cn2)CC[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQBAPJWYRODRGP-CZUORRHYSA-N", "SMILES:Cc1ccc(Cn2c(N3CC[C@@H](F)[C@H](N)C3)nc3cc(F)c(F)cc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBGMDVYEDDYJR-MRXNPFEDSA-N", "SMILES:N[C@@H]1CN(c2nc3cc(F)ccc3n2Cc2ccc(Cl)cn2)CCC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQNHXOLZNAHFGV-HUUCEWRRSA-N", "SMILES:N[C@@H]1CN(c2nc3ccc(F)cc3n2Cc2ccc(F)cn2)CC[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DONHKZQWJGOSSY-CHWSQXEVSA-N", "SMILES:N[C@@H]1CN(c2nc3ccc(F)cc3n2Cc2ncc(F)cn2)CC[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFISJHEBQMDBP-KYDXEYDTSA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNC2CCC(C(=O)O)C2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJKMNQZPZGKGE-ZHRYYDEUSA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNC2CC(C(=O)O)C2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVUQHCTKFYKAB-MXVIHJGJSA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCCCC(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKHPEATMLIGGZ-QAQDUYKDSA-N", "SMILES:CC(C)(C)[C@H]1CC[C@H](Oc2cc(I)c3ccccc3c2CNCCC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSIIPXVABDRONW-WGSAOQKQSA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCCC(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXPGVWMUPSZLZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1cc(C)c2ccccc2c1CNCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFFHCGFANGCPRJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OC2CCC3(CCCC3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJRANSXNXTFFX-UHFFFAOYSA-N", "SMILES:Cc1cc(OC2CCC3(CCCCC3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSCNDXRCLJETJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OC2CCCCC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUYYPRWZPWBFBY-TYKWCNGQSA-N", "SMILES:CC[C@H]1CC[C@@H](Oc2cc(C)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIMGVBDXURIPW-GUOBSTCESA-N", "SMILES:Cc1cc(O[C@H]2CC[C@@H](c3ccccc3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIFBPOKIJCRSGU-YHBQERECSA-N", "SMILES:CCC(C)(C)[C@H]1CC[C@H](Oc2cc(C)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMXQVGDWBMNGTF-HZCBDIJESA-N", "SMILES:CC(C)(C)[C@H]1CC[C@H](Oc2ccc3ccccc3c2CN2CCC(C(=O)O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEYQMOAKDOIET-MXVIHJGJSA-N", "SMILES:CC(C)(C)[C@H]1CC[C@H](Oc2cc(Cl)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NINZGRDCQSCTKG-MXVIHJGJSA-N", "SMILES:CC(C)(C)[C@H]1CC[C@H](Oc2cc(I)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICNYPJGKXWTMLN-HZCBDIJESA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CCC(C)(C(=O)O)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRMGFKQCUEJMS-HZCBDIJESA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOMMHSWTDCOLM-JTKSQVOZSA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CCC(CC(=O)O)C2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQJBEJKMQQFXPI-XPUGBJAQSA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CCC(C(=O)O)C2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJHXHPKCFVEDBI-MXVIHJGJSA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CC(C(=O)O)C2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBYSCTUQLHSWNF-NMICXILDSA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNC2CCC(C(=O)O)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBOUFYJEYQDCB-IYARVYRRSA-N", "SMILES:Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCC(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYVMOUCDLQYEP-UHFFFAOYSA-N", "SMILES:CCCCCCOc1cc(C)c2ccccc2c1CNCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366208", "category": ["biolink:ChemicalEntity"], "name": "FTY720-P", "xref": ["InChIKey:LRFKWQGGENFBFO-IBGZPJMESA-N", "SMILES:CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1"], "synonym": ["Fty720-p", "FTY-720P"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJCLYGZLMYHFCN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(Nc2cccc3c(C)n[nH]c(=O)c23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDEQFDSQRKTMBV-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC3CCC(C2)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNTBVLDPYQQQNX-IRXDYDNUSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2C[C@@H]3C[C@H]2CN3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAOYHQWWTGUIBS-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEABCZGDGKSOBY-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cnn2-c2cccc(N3CCN(C)CC3)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONTZZGHVIOSOV-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1-c1ccc2cnn(-c3ccc(N4CCN(C)CC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDUCYZVJNKJTL-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1-c1cc2c(cnn2-c2ccc(N3CCN(C)CC3)cc2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWSQGNLGAGQRAA-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVGWYVFDMASJFZ-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZXZAIXIQVLACA-UHFFFAOYSA-N", "SMILES:CNC1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOHLPKNONOVQL-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORINSIPRISQBV-KRWDZBQOSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC[C@H](N(C)C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCKIJBDLAFGHB-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCC2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFJIGFTZBKSIC-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC3(CCCNC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIQVWHWRHMNJTC-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COEYBYRZCBPFHU-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPPHAMKKFBHWFX-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFBMSKOWHZHEN-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC(N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYRYLWUORITKQA-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2ncc3cnc(-c4c(F)cccc4OC)cc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTHXZEYHDZTXLO-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cc(Cl)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWXBQUSJVHGGL-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKCMADAWBUPYHW-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccnc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENVMOQQFSAMCO-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccnc(N2CCN(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWNHUJMYFMEQB-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYIKBCWOKGXEI-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCN(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPAVLWBTTZJTKK-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRKGTUDXOAFOG-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNESZUMSHRJLRT-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFVVLRKGBSGQGQ-UHFFFAOYSA-N", "SMILES:CCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKYAXKVIYVHHNH-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQBSXHDOERWCRQ-UHFFFAOYSA-N", "SMILES:CNC1CCc2c1ccc(F)c2-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMZHBNKYYDQAW-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLXYSOOOYIUHF-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMDGNPAWSFMAQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUXNIHLICMWFSI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-n3ncc4cnc(-c5ccccc5)cc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQDUXTVFGFQAAL-UHFFFAOYSA-N", "SMILES:COc1ccncc1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBEFOEVPCXACOV-UHFFFAOYSA-N", "SMILES:COc1ccncc1-c1ccc2cnn(-c3ccnc(N4CCOCC4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKYYAHORWPSARA-HDICACEKSA-N", "SMILES:C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn6c5OCCC6)cc43)ccn2)C[C@H](C)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPOUUVUMNHWDP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3n[nH]c4cnc(-c5cnn6c5CCC6)cc34)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJMOHYLSSSSDU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn6c5CCC6)cc34)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJAZDAYYSBXTSI-MVVMVCHASA-N", "SMILES:CCC(c1nc2ncc(Cl)cc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(C(F)(F)F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOMZGDVMZZLPW-NTPOMRHGSA-N", "SMILES:CCC(c1nc2ccc(Cl)cc2[nH]1)[C@H]1CC[C@H](Oc2ccnc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPRHXFJNOLSTFO-MVVMVCHASA-N", "SMILES:CCC(c1nc2ncc(Cl)cc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKXFHHROUCHAPP-MCPYQZEQSA-N", "SMILES:CCC(c1nc2ccc(Cl)cc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUFGKTDKACBZGU-KFWWJZLASA-N", "SMILES:C[C@@H](c1nc2ncc(Cl)cc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCPZDYDBPJXBM-ULZZTYQWSA-N", "SMILES:CCOCC(Nc1nnc(-c2ccc(OC)cc2)o1)[C@H]1CC[C@@H](c2ccnc3ccc(C(F)(F)F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIBCGSOYQOBXJL-OXUKXLDXSA-N", "SMILES:COCC(Nc1nnc(-c2ccc(OC)cc2)o1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJNFSJZBDBXDE-DCELGARWSA-N", "SMILES:CCC(Nc1nnc(-c2ccc(OC)cc2)o1)[C@H]1CC[C@H](Oc2ccnc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYVWUMCZRNBTEH-LDSCYUJKSA-N", "SMILES:CCC(Nc1nnc(-c2ccc(OC)cc2)o1)[C@H]1CC[C@@H](c2ccnc3c(F)cc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUDVIJKGHSMHQM-QLCVBSLISA-N", "SMILES:CCC(Nc1nnc(-c2ccc(OC)cc2)o1)[C@H]1CC[C@@H](c2ccnc3ccc(C(F)(F)F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDPHTOJNZVWWNV-QLCVBSLISA-N", "SMILES:CCC(Nc1nnc(-c2ccc(OC)cc2)o1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOCAFJSCXVJCI-OAGGEKHMSA-N", "SMILES:C[C@@H](c1nc2cc(F)ccc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHMRIRODLGCHR-KURKYZTESA-N", "SMILES:COc1ccc(-c2nnc(N[C@H](C)[C@H]3CC[C@@H](c4ccnc5ccc(F)cc54)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUYWCSHGLMIRC-KURKYZTESA-N", "SMILES:COc1ccc(Nc2nnc([C@H](C)[C@H]3CC[C@@H](c4ccnc5ccc(F)cc54)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYWLOPQRZFPWLC-ZACQAIPSSA-N", "SMILES:C[C@@H](c1nnc(-c2ccc(Cl)cc2)[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHDATCXUIGYKM-ZACQAIPSSA-N", "SMILES:C[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVTFMXVTYNVIMX-KURKYZTESA-N", "SMILES:C[C@@H](c1ncc(-c2ccc(Cl)cc2)[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNZKWWBPBBMRV-KURKYZTESA-N", "SMILES:C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"name": "Tyrosine-protein kinase Blk", "xref": ["CHEMBL.TARGET:CHEMBL3343"], "id": "UniProtKB:P16277", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Tyrosine-protein kinase ABL2", "xref": ["CHEMBL.TARGET:CHEMBL5222"], "id": "UniProtKB:Q4JIM5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLUCICHZHWJHLL-INIZCTEOSA-N", "SMILES:O=C1C=C2C[C@]3(O)COc4c(ccc(O)c4O)C3=C2C=C1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL200027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWZJBXAPRCVCKQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFIASDOZHNRKP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2c(-c3ccc(F)cc3)nc([S+](C)[O-])n2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRGWHSEDYQKDQ-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1ccc(Nc2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXURVUHDDXFYDR-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)c1ccc(OC(F)F)c(OC2CCOC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRSNGWLHNWGOKD-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3csc(NC(C)=O)c3C2=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDXHMKAWBDQFP-QFIPXVFZSA-N", "SMILES:CCOc1cc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)OCCOCCOCCOC)c3C2=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKYUVIPOPJNTC-DEOSSOPVSA-N", "SMILES:CCOc1cc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)OCCOCCOCCOCCOC)c3C2=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKVXMOXXNMSRPT-YTTGMZPUSA-N", "SMILES:CCOc1cc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC)c3C2=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAMFJWFHAWRNEK-NDEPHWFRSA-N", "SMILES:CCOc1cc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)OCCOCCOCCOCCOCCOCCOC)c3C2=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KODLAJVZSKZXCU-PMERELPUSA-N", "SMILES:CCOc1cc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)OCCOCCOCCOCCOCCOCCOCCOC)c3C2=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEMCFBVPQLOBQK-SANMLTNESA-N", "SMILES:CCOc1cc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)OCCOCCOCCOCCOCCOC)c3C2=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42126", "category": ["biolink:ChemicalEntity"], "name": "PICLAMILAST", "xref": ["InChIKey:RRRUXBQSQLKHEL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1"], "synonym": ["Piclamilast", "RP 73401", "RP-73041", "RP-73401", "RP73401", "RPR-73401", "Piclamilast"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1096812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTTWVBLGONANE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALDTHGTYJMUAA-CYBMUJFWSA-N", "SMILES:COc1ccc(-c2nc(C(=O)NCc3coc4ccccc34)c([C@@H](C)N)o2)c2ccc(C(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDZKLMUDTMBEOG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3c(c(Nc4ccc(CC(=O)O)cc4)n2)SCCC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVKTJMOHHZXMC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(CCCCCc3ccccc3)C(=O)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTQIYFPNBRCCW-GXVSMUBLSA-N", "SMILES:O=C(N[C@H]1CC[C@@H](C2C(=O)c3cc(F)cnc3N(C3CCSCC3)C2=O)CC1)c1cn2cc(F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFXBSFKFXJAALA-UHFFFAOYSA-N", "SMILES:Cn1nc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CCCN5CCNCC5)cc4)c3)CC2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDNHBCSWFYFPAN-IRXDYDNUSA-N", "SMILES:COc1ccc([C@@]23C=CC(=O)C[C@@H]2N(C)CC3)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFOKZXIIQLWFKE-PSXMRANNSA-N", "SMILES:COc1ccc([C@@]2(c3cccc(OC)c3)c3cc(O)ccc3-c3ccc(C=O)c(C#Cc4ccc(O)cc4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQABYVBVBXNMZ-UHFFFAOYSA-N", "SMILES:COC1=CC=C(C2=NN(CCCCCOc3ccc(C4=NNC(=O)CC4C)cc3)C(=O)CC2C)C2CC(C(F)(F)F)=NN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GURINCBMWKPPBD-UHFFFAOYSA-N", "SMILES:CCc1nc2c(cnn2CC)c(NC2CCCCC2)c1C1=NOC2(C1)CC(C1N=NN=N1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZLJXIWBMJKIRP-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(F)cc2F)sc2ncnc(N3CCN(C)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPSBHTFYQLTERF-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nccc(-c2c(C3CC3)nn3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESHXWXLOJIPHC-VZUYHUTRSA-N", "SMILES:COc1cccc(Nc2c(C(N)=O)ccc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(C#CCCCNC[C@@H](O)c6ccc(O)c7[nH]c(=O)ccc67)cc5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWTNYXVPIAEBOQ-FJDTUDISSA-N", "SMILES:O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)C1CN(C(=O)c2ccc(COc3cccc(CN(C(=O)O[C@H]4CN5CCC4CC5)c4ccccc4)c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCSBZSXTODQCG-UHFFFAOYSA-N", "SMILES:O=C(CCCCOc1ccccc1C(=O)Nc1cccc2[nH]cnc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCXFPIXQDOLCD-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(NC(=O)CCCCCC(=O)NO)cc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYNXNGSTYGHRK-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(Cc1ccc(F)cc1)cn2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXIFAYWMHXTFRM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZMKLSKDPIRQSD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OS(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)NO)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKOMAPNLTUJAPI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(O)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCTQRWHKMNPRRL-UHFFFAOYSA-N", "SMILES:COC(c1c(F)cccc1Cl)c1c[nH]c2ncc(-c3c(C)noc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWHULZFQVGKDDU-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(Cc1ccccc1)cn2CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYSUCURDJHIDTK-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(Cc1ccccc1)cn2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQJENAVNYJTRG-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(CCc1ccccc1)cn2CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVATUGPLDQVGU-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(CCc1ccccc1)cn2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJHWBWWGFQOMQF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(Cc1ccc(F)cc1)cn2CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEDCLHGFPJLRAZ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(CCc1ccc(F)cc1)cn2CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUEVMWAEXLKAEB-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(CCc1ccc(F)cc1)cn2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUFSRERUNCEXLP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cc1cn(CCCCCC(=O)NO)c2ccc(-c3c(C)noc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCIJJJGHXASJS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cc1cn(CCCCCCC(=O)NO)c2ccc(-c3c(C)noc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZYYRNCRJHLOOR-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cc2cn(CCCCCC(=O)NO)c3ccc(-c4c(C)noc4C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPYXYHJFASGCDD-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cc2cn(CCCCCCC(=O)NO)c3ccc(-c4c(C)noc4C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBFATXYSJHNDSL-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2cn(CCCCCC(=O)NO)c3ccc(-c4c(C)noc4C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUHMFDUAPFQWCB-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2cn(CCCCCCC(=O)NO)c3ccc(-c4c(C)noc4C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMIZIRYSABRXPT-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(Cc1cccc(C(F)(F)F)c1)cn2CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBFFNYTGNBVMA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCCCC(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUQBNDHSYBJDDH-ONEGZZNKSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OC/C=C/C(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEPIHRTSHBPQF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCCCCC(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVGDNMGZGQZNN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(Oc4ccc(C(=O)NO)cn4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBKULAQYEDZKLZ-KPKJPENVSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCc4ccc(/C=C/C(=O)NO)cc4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSJHECNNUWKAFR-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCCCCCC(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMDUTAYRLGXCE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCCCCCCC(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQZSGAVHUZVAO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCCCCCCCC(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAYNSPDVOHKIP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBFOZZYQXMURE-MDZDMXLPSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCc4cc(C)c(/C=C/C(=O)NO)c(C)c4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZPGGRAWSKJOG-VMPITWQZSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(/C=C/C(=O)NO)cc3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZHWIUOIXXKJR-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEKSSLKMNVDNAI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3ccc(C(=O)NCCCCCCC(=O)NO)cc3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYQWOHVNFYPHV-SFYZADRCSA-N", "SMILES:OC[C@H]1CN(Cc2ncc[nH]2)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIAXNQLHHCVAF-APPZFPTMSA-N", "SMILES:OC[C@H]1CN(Cc2c[nH]cn2)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENAMZBWYYWKFL-KOLCDFICSA-N", "SMILES:OC[C@H]1CN(Cc2ccccn2)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOBNHCBSDUNGW-MNOVXSKESA-N", "SMILES:OC[C@H]1CN(Cc2cccnc2)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPFVPJRKRIPMG-MNOVXSKESA-N", "SMILES:OC[C@H]1CN(Cc2ccncc2)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRRCRIQWBWQWDY-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZTBTDRFHLJMDM-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOFDJYAYOCDSDG-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKPFKILJWCLFZ-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHXXBKJYVHGSMP-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHGWCLUVCPXGQ-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2cc(C(F)(F)F)c(-c3ccccc3)cn2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEICRWEWYYTNA-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKZHOODVROCRCC-UHFFFAOYSA-N", "SMILES:Cn1nc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPEUHJYRWRUAQG-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNURWTKYEXJMRU-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFFNAKXKCNSFIJ-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGECRUJWSJMTLZ-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYARUOCLANHTR-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOOAIFWISQOCOY-UHFFFAOYSA-N", "SMILES:CC1N(C(=O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRHMWOVLKCDPJE-UHFFFAOYSA-N", "SMILES:COC(=O)CC1N(C(=O)Nc2nc(C)cs2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNFOFXPRNGIIFZ-UHFFFAOYSA-N", "SMILES:CC1NC(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNIOQKSWMEHEK-UHFFFAOYSA-N", "SMILES:COC(=O)CC1N(C(=O)Nc2cccc(Cl)c2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZOKRZTHJMCNP-UHFFFAOYSA-N", "SMILES:Cc1csc(NC(=O)N2C(=O)c3ccccc3S(=O)(=O)C2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBMJYWYZHSALDH-UHFFFAOYSA-N", "SMILES:COC(=O)CC1N(C(=O)Nc2nc3ccccc3s2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJEZRIDONAQECK-UHFFFAOYSA-N", "SMILES:COC(=O)CC1N(C(=O)Nc2nnc(C)s2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFTMQVHOTNWKLD-UHFFFAOYSA-N", "SMILES:COC(=O)CC1NC(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUMKOZHKMFDJW-UHFFFAOYSA-N", "SMILES:COC(=O)CC1N(C(=O)Nc2cccc(C)n2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKVJAXVSPVYJV-UHFFFAOYSA-N", "SMILES:COC(=O)CC1N(C(=O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZSDKOCTPEAEH-UHFFFAOYSA-N", "SMILES:COC(=O)CC1N(C(=O)Nc2ccccc2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVOCHFKEJDCISV-UHFFFAOYSA-N", "SMILES:COC(=O)CC1N(C(=O)Nc2nccs2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYPYRNFGCZHNK-UHFFFAOYSA-N", "SMILES:COC(=O)CC1N(C(=O)Nc2ncc(C)s2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBXIJWDGUIPORT-UHFFFAOYSA-N", "SMILES:CC1N(C(=O)Nc2nccs2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOCCOMIRRKRMQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC(=O)N2C(=O)c3ccccc3S(=O)(=O)C2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKUIKQCHLEBSA-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)N2C(=O)c3ccccc3S(=O)(=O)C2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSVYAFONZZBZGJ-UHFFFAOYSA-N", "SMILES:CC1N(C(=O)Nc2ccccc2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZZTUYMSJOEAI-UHFFFAOYSA-N", "SMILES:CC1N(C(=O)Nc2cccc(Cl)c2)C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXPJHZQARJULL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2C(=O)c3ccccc3S(=O)(=O)C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNEZRUBKHBQUPC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(COc3cc4c(c(C)c3C)C(=O)C(C3CCCC3)C4)c2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NECBCMFIAOCFKS-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPSCVVIXDFHNZ-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGDPJOAKAHEBJ-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DROPZJHGDMUHCL-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWILOUBHBQWVNT-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQGNMNYQRQZAKJ-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXFNSNFPVFVKG-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJIHGHNPMRWLQO-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCCCCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDQNWULLQWASQJ-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCCCCCCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GASRLPRUSRJGRY-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2cccc(-c3cccc(C(=O)O)c3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCNUKGHDBRTGZ-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2cccc(-c3ccc(O)c(C(=O)O)c3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZCVJKQCRSTKD-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSLHBYNXGPKQRQ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHWVNNYOQMFKQF-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CC2CCC3(NC(=O)C(=O)N(C)C)CC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTUFLIGWRGQDS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIIJLGOZRZKPD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYIVQYRLZKFCMF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2n[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL100206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSELXDDMIGSPLC-UHFFFAOYSA-N", "SMILES:O=C(O)CCSC1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDCPCFNGMXEHG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC2=CC(=O)c3ccccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCIERLLTZJQAZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2n[nH]c3cc([N+](=O)[O-])ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMJAAIVTDVQJA-IZHYLOQSSA-N", "SMILES:CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZPIAXLCCQFCM-FCQUAONHSA-N", "SMILES:CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZKWESXBQCEDY-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(C)NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPPSMCJVLPCJW-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(CO)NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGBEQASVBWRHL-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(NC(=O)Nc2ccc(Cl)cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLDJTDJTTXFET-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(NC(=O)Nc2ccc(Cl)cc2)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZWCXMFFFEJAL-LSDHHAIUSA-N", "SMILES:COc1ccc([C@@H]2NC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHWQLQMKSMNUBQ-JKSUJKDBSA-N", "SMILES:COc1ccc([C@@H]2CNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHWQLQMKSMNUBQ-HOTGVXAUSA-N", "SMILES:COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMCHLIFCNVZOU-IRXDYDNUSA-N", "SMILES:COc1ccc([C@@H]2CCNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHWQLQMKSMNUBQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CNC(=O)C2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHWQLQMKSMNUBQ-HZPDHXFCSA-N", "SMILES:COc1ccc([C@H]2CNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACWDLPJOHUSGSY-HOTGVXAUSA-N", "SMILES:COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNMUUIDVXJGDJ-HOCLYGCPSA-N", "SMILES:COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVQHTQYGENDTFB-BBRMVZONSA-N", "SMILES:COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQONVSBPTGKRDZ-HOCLYGCPSA-N", "SMILES:COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSSICJUWCVGHT-IRXDYDNUSA-N", "SMILES:COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCAFTMBACDZFOP-ZFWWWQNUSA-N", "SMILES:O=C(Nc1ccc(F)cc1)N[C@@H]1C(=O)NC[C@H]1c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKAGODRBTIJXGF-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQDKZJYHCUFKRI-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPPUPOLXIYMWJG-WFASDCNBSA-N", "SMILES:COc1cnc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBSWBORIVURIK-GUYCJALGSA-N", "SMILES:CCOc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHWMVXHLEAWLMB-GUYCJALGSA-N", "SMILES:CCc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDWUCQWQZAOUBU-LRDDRELGSA-N", "SMILES:N#Cc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRNUSWUBFQPED-LRDDRELGSA-N", "SMILES:CNc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJJQRZDQSZHKI-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2cccc(F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLLOPKPHJHQLHF-QFYYESIMSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccccc2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784510", "category": ["biolink:ChemicalEntity"], "name": "BMS-986235", "xref": ["InChIKey:FJZNNKJZHQFMCK-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccccc2)c(F)c1"], "synonym": ["Bms-986235", "LAR-1219"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKKLXUWWHAKZRL-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZSVOGMFQIOKE-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Br)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNQYEGVNWFUORS-GUYCJALGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C#N)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDZYRVFPDFZSMG-GUYCJALGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRGOIRNRIONTRI-GUYCJALGSA-N", "SMILES:COc1ccc(NC(=O)N[C@@H]2C(=O)NC[C@H]2c2c(F)cc(OC)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHZNFPNDZKAXNZ-QFYYESIMSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)c(F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPGPTUHVUXQNIL-QFYYESIMSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)c(O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGBKAOBHQLMKI-QFYYESIMSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)c(O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNSHRFMQNHFJB-SJCJKPOMSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)c(O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTWWXEQMVCWVMQ-BONVTDFDSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVJBPADADLIRSJ-RTHLEPHNSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)s2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLFBFSPOSARNT-MADCSZMMSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ncc(Cl)s2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZSEJCQFCSQBB-XPTSAGLGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2cc(C)ns2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIJDGTWEDZXNAC-SGTLLEGYSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2cc3ccccc3s2)c(F)c1"]}
{"name": "Formyl peptide receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4739842"], "id": "UniProtKB:O88536", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "fMet-Leu-Phe receptor", "xref": ["CHEMBL.TARGET:CHEMBL1770037"], "id": "UniProtKB:P33766", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXNGCMNNCJYGEZ-OAHLLOKOSA-N", "SMILES:CCCC[C@](C)(CO)Nc1nc(N)nc2cc(C)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMYHDMZQKIQAL-CQSZACIVSA-N", "SMILES:CCCC[C@](C)(CO)Nc1nc(N)nc2cc(Cl)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTCJUBZBSJQWBW-AWEZNQCLSA-N", "SMILES:CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(F)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMLYPPIWBKCFP-MRXNPFEDSA-N", "SMILES:CCCCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLLPJKKQUEQMJ-OAHLLOKOSA-N", "SMILES:CCCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQXILANHZTODU-AWEZNQCLSA-N", "SMILES:CCCC[C@@](C)(CO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUBXVYTYGXXZQT-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWJVWMXTULXVRU-UHFFFAOYSA-N", "SMILES:CCCC(C)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXDCXEIDFKATID-MRVPVSSYSA-N", "SMILES:CCC[C@H](CO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXDCXEIDFKATID-QMMMGPOBSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYONUIQGZDGWMR-SECBINFHSA-N", "SMILES:CCCC[C@H](CO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYONUIQGZDGWMR-VIFPVBQESA-N", "SMILES:CCCC[C@@H](CO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECJDJGGKCWAGM-SNVBAGLBSA-N", "SMILES:CCCC[C@H](CCO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFVZNWHRHNNNN-SECBINFHSA-N", "SMILES:CCCC[C@H](CN)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHBUPGJCNKURFV-SNVBAGLBSA-N", "SMILES:CCCCC[C@H](CO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLMYMVVLNUJBA-SECBINFHSA-N", "SMILES:CCCC[C@@H](Nc1nc(N)nc2cccnc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBAKXDOLUIMFA-SNVBAGLBSA-N", "SMILES:CCCC[C@H](CO)Nc1nc(N)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBAKXDOLUIMFA-JTQLQIEISA-N", "SMILES:CCCC[C@@H](CO)Nc1nc(N)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWWHPHBWOURHEZ-CYBMUJFWSA-N", "SMILES:CCC[C@](C)(CO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQXILANHZTODU-CQSZACIVSA-N", "SMILES:CCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1445923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQOPSFJRTNGANZ-UHFFFAOYSA-N", "SMILES:O=C(Oc1nsnc1N1CCOCC1)c1ccccc1"]}
{"name": "Immunoglobulin A1 protease autotransporter", "xref": ["CHEMBL.TARGET:CHEMBL4739848"], "id": "UniProtKB:P44969", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:71421"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMDGJCXRAIEMH-UHFFFAOYSA-N", "SMILES:O=C(Oc1nsnc1N1CCCCC1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSOWPJRTBPCDBY-UHFFFAOYSA-N", "SMILES:O=c1ccn(CCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNXIXRXMZJKZEA-UHFFFAOYSA-N", "SMILES:O=c1cnn(CCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXNSBQPZFRQETJ-UHFFFAOYSA-N", "SMILES:O=c1ccnc(SCCCOc2ccc(-c3nnn[nH]3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXOKWCPGVZKDQ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCCOc1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVKZSQGNEXUAOZ-UHFFFAOYSA-N", "SMILES:Nc1nc2c(ncn2CCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZUWNNBUMQJFP-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(ncn2CCCOc2ccc(-c3nnn[nH]3)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVHKYXQBTBACSL-UHFFFAOYSA-N", "SMILES:Cn1cnc2c1c(=O)n(CCCOc1ccc(-c3nnn[nH]3)cc1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBOCUOZDDPZFL-UHFFFAOYSA-N", "SMILES:O=c1ccn(CCCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWFAVLWXXSTLDL-UHFFFAOYSA-N", "SMILES:O=c1cnn(CCCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJBIBLSQAZLGM-UHFFFAOYSA-N", "SMILES:O=c1ccnc(SCCCCOc2ccc(-c3nnn[nH]3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVAGQYKBKMUHFF-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCCCOc1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCFMKIDJVJBQQP-UHFFFAOYSA-N", "SMILES:Nc1nc2c(ncn2CCCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DONHTLJTWLSOHU-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(ncn2CCCCOc2ccc(-c3nnn[nH]3)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJKIHLIIYCLCY-UHFFFAOYSA-N", "SMILES:Cn1cnc2c1c(=O)n(CCCCOc1ccc(-c3nnn[nH]3)cc1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXQPIWICIRYJEP-ZQSRHCQJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)CNC(=O)CCNC(=O)CCNC(=O)CC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGDJACXQPOVLJ-ZQSRHCQJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)CNC(=O)CCNC(=O)CCNC(=O)CC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWVVHHFDHYXFLY-JTQLQIEISA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLHZRCIBGASXSG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Sc2ccccc2Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFPXEBSQOFZURO-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC2CCCC2C1)C1CCCN(S(=O)(=O)c2cccs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZOHTFVSJUQSL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(OC(c1ccccc1C)c1ccccc1C)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTBJRZRBVEJRD-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C2(C)CCCC3Cc4cc(Br)cc(Br)c4OC312"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGAGDYQOAIHLSA-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)N1CCN(C(=O)C=CC(=O)Nc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMIDVDRPCGUFI-UHFFFAOYSA-N", "SMILES:CC(OC(=O)c1ccc2nc(N)sc2c1)C(=O)Nc1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZHFJCNPAIRJSA-MYMUPAQMSA-N", "SMILES:C[C@]1(c2cc(/C=C(\\F)c3ccc(C#N)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)N3CCOCC3)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFXDPYXKFNNAW-VDTLHJFLSA-N", "SMILES:COC[C@]12C[C@H]1[C@@](CF)(c1cc(/C=C(/F)c3ccc(Cl)cn3)ccc1F)N=C(N)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFXDPYXKFNNAW-RPXRUMITSA-N", "SMILES:COC[C@]12C[C@H]1[C@@](CF)(c1cc(/C=C(\\F)c3ccc(Cl)cn3)ccc1F)N=C(N)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGBJDRMXVMOAE-NSISKUIASA-N", "SMILES:COC[C@]12C[C@H]1[C@@](CF)(c1cc(NC(=O)c3ccc(Cl)cn3)ccc1F)N=C(N)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBIFLVXHXRJOKM-FQRJWFRCSA-N", "SMILES:COC[C@]12C[C@H]1[C@@](C)(c1cc(/C=C(\\F)c3ccc(C#N)cn3)ccc1F)N=C(N)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVBTUULDWOVOF-FQRJWFRCSA-N", "SMILES:CC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(/C=C(\\F)c3ccc(C#N)cn3)ccc1F)N=C(N)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFASAWMOOYRMJU-WYVHCHOOSA-N", "SMILES:C[C@]1(c2cc(/C=C(\\F)c3ccc(C#N)cn3)ccc2F)N=C(N)S[C@@]2(S(C)(=O)=O)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLIOBKVJNBTMS-ZKMBLFMTSA-N", "SMILES:CNC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(/C=C(\\F)c3ccc(C#N)cn3)ccc1F)N=C(N)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZDMWPTVBRAJMZ-OZNMDXOXSA-N", "SMILES:CN(C)C(=O)[C@]12C[C@H]1[C@@](C)(c1cc(/C=C(\\F)c3ccc(C#N)cn3)ccc1F)N=C(N)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLXYTIWCONMVCO-GQRGEFGTSA-N", "SMILES:C[C@]1(c2cc(/C=C(\\F)c3ccc(C#N)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)N3CCC3)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVIPSJSEJQGVKV-MYMUPAQMSA-N", "SMILES:C[C@]1(c2cc(/C=C(\\F)c3ccc(C#N)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)N3CCCC3)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWVMBKBHZPWAQL-VPLUUOPTSA-N", "SMILES:C[C@]1(c2cc(/C=C(\\F)c3ccc(C#N)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)N3CCCCC3)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSLJUUCKMWVFIH-AWTRGSECSA-N", "SMILES:C[C@]1(c2cc(/C=C(\\F)c3cnc(C#N)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)N3CCOCC3)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLQVZYNLHFGOD-ICCSCMJLSA-N", "SMILES:COC[C@]12C[C@H]1[C@@](CF)(c1cc(/C=C/c3ccc(Cl)cn3)ccc1F)N=C(N)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOSYJIAJCUPLO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc(C(=O)Nc4ccccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYEQBMSYFRCOTI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCWYTVLYULMQKD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZQSAKXLMEDCB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4cc(CC)ccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEBORLYUHFFQJJ-FNORWQNLSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABLTANFRWXCCO-UHFFFAOYSA-N", "SMILES:COCC#CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLULIRQIGKTNOX-UHFFFAOYSA-N", "SMILES:O=C(C#CCO)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXWRLXWERZYNI-UHFFFAOYSA-N", "SMILES:O=C(C#CCN1CCOCC1)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGIXWKSQNJFMBI-UHFFFAOYSA-N", "SMILES:O=C(C#CCCN1CCOCC1)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQTAXOFEPGOWGH-UHFFFAOYSA-N", "SMILES:CCN1CCN(CC#CC(=O)Nc2ccc3nccc(Oc4ccc(C(=O)Nc5ccccn5)cc4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LECJZCIWDXDFRT-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LALIRRMNYUKDAI-UHFFFAOYSA-N", "SMILES:COCC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPZGJWPPVXZLDN-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2cc1NC(=O)C#CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBABZDLFBGSOJV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2cc1NC(=O)C#CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYXGTMLAFDSFY-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTZLIYZSDXKAU-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHXUKWUPVVWIO-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPKHZFMFWCMAPS-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJSTYVUOTHDSEX-VWLOTQADSA-N", "SMILES:CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C#N)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTYUHNZRYZEEB-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CCl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4740103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLZNGAELWYHKL-CAPFRKAQSA-N", "SMILES:O=C(O)/C=C/c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXIRNYINUDRKDH-UHFFFAOYSA-N", "SMILES:c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cccs4)s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQKSKYBOHDUQX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPLJTARNRADHT-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIPTHIGDLTVEA-UHFFFAOYSA-M", "SMILES:C[n+]1ccc(/C=C/c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDHEESJIPDPGS-UHFFFAOYSA-N", "SMILES:O=C(O)C(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGPMWUYMRCINJ-LRGKAINGSA-N", "SMILES:O=C(O)C1=C[C@H](O)[C@@H](NC(=O)C(F)(F)F)[C@H]([C@H](O)[C@H](O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDUPXUTDZLIID-YJIVHAETSA-N", "SMILES:COC(=O)[C@@H]1[C@H]2C[C@@H]3OCc4ccccc4-n4c3c(c3ccccc34)CCN(C#N)C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDUPXUTDZLIID-RTBHYRKDSA-N", "SMILES:COC(=O)[C@@H]1[C@H]2C[C@H]3OCc4ccccc4-n4c3c(c3ccccc34)CCN(C#N)C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXVYSTWUAFJFS-PPUVJRIJSA-N", "SMILES:COC(=O)[C@@H]1[C@H]2C[C@@H](c3[nH]c4ccccc4c3CCn3cc(-c4cccc(Cl)c4)nn3)N(C#N)C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJARUCBRJWIRBK-MIUREPARSA-N", "SMILES:COC(=O)[C@@H]1[C@H]2C[C@@H]([C@@]3(CCn4cc(CCCCO)nn4)C(=O)Nc4ccccc43)N(C#N)C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYMHKVKBAFQNT-IIKGDYKCSA-N", "SMILES:COC(=O)[C@@H]1[C@H]2C[C@@H]3N(CC[C@@]34C(=O)N(c3cncc(OC)n3)c3ccccc34)C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEXCDLCQDKRJL-YPENCHFCSA-N", "SMILES:COC(=O)[C@@H]1[C@H]2C[C@@H]3N(CC[C@@]34C(=O)N(Cc3cccc(OC)c3)c3ccccc34)C[C@@H]2CC[C@@H]1OCc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PORCWYGYBFXAHK-JWRODKNGSA-N", "SMILES:COC(=O)[C@@H]1[C@H]2C[C@@H](OCc3ccc(Br)cc3)c3[nH]c4ccccc4c3CCN(C#N)C[C@@H]2CC[C@@H]1O"]}
{"name": "C-C chemokine receptor type 8", "xref": ["CHEMBL.TARGET:CHEMBL4596"], "id": "UniProtKB:P51685", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CX3C chemokine receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4843"], "id": "UniProtKB:P49238", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL154668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIASLNTAGRGGA-WVJGRJQASA-N", "SMILES:Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COEAYZDBKLLPNS-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXBEWXQBVPIKJ-UHFFFAOYSA-N", "SMILES:C#CCCC1(CCOP(=O)(OC(C)C)C(Cc2cc(C(C)(C)C)nc(C(C)(C)C)c2)P(=O)(OC(C)C)OC(C)C)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVMWELNRLBAKPF-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)P(=O)(OCC)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDBUKRGXKGQDQR-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPCHGWFRQEQPE-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUCOBTJNUOTBSF-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYSWMVWUMMPQZ-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(I)cc(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCATCPBHSGHKT-UHFFFAOYSA-N", "SMILES:C#Cc1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVMLCABMSMOYPJ-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(N=[N+]=[N-])cc(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYHYAZACJLKIJM-UHFFFAOYSA-N", "SMILES:C#CCOP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGWORRZKHBVVMK-UHFFFAOYSA-N", "SMILES:C#CCCOP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIATSREIBUHGI-RGFOLBRPSA-L", "SMILES:O=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OC(c1ccc(F)cc1)P(=O)([O-])[O-].[Na+].[Na+]"]}
{"name": "Beta-galactoside alpha-2,6-sialyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL3596075"], "id": "UniProtKB:P15907", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUMIVVULSYRBGX-RGFOLBRPSA-L", "SMILES:O=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OC(c1cccc(F)c1)P(=O)([O-])[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVIBOFHVLULPM-SADSOMEESA-L", "SMILES:CCCOc1cccc(C(OC(=O)NC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)P(=O)([O-])[O-])c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFXCRMRIEZSZAP-DYOZTATGSA-L", "SMILES:O=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OC(c1ccc(OC2CCCC2)cc1)P(=O)([O-])[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYQQPPRRPAPTTQ-IRGVIARPSA-L", "SMILES:O=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OC(c1cc2ccccc2s1)P(=O)([O-])[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUKRTEJKPBDVMA-IJVHBUDFSA-K", "SMILES:CC(=O)N[C@H]1[C@@H](Oc2ccccc2)OC([C@@H](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)P(=O)([O-])[O-])=C[C@@H]1O.[Na+].[Na+].[Na+]"]}
{"name": "Beta-galactoside alpha-2,6-sialyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4276"], "id": "UniProtKB:P13721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHDOSRBONQBOED-GYKYLPKRSA-K", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])O[C@@H](c3cccc(Oc4ccccc4)c3)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFIIVOEPVNSPN-LUGDTMIOSA-I", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])O[C@@H](c3cccc(NC(=O)c4ccc(C(=O)[O-])c(-c5c6ccc(=O)cc-6oc6cc([O-])ccc56)c4)c3)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFIIVOEPVNSPN-AOMRRWNNSA-I", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])O[C@H](c3cccc(NC(=O)c4ccc(C(=O)[O-])c(-c5c6ccc(=O)cc-6oc6cc([O-])ccc56)c4)c3)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXCIAUNLDRJGJZ-BILDWYJOSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4746216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWNKSNLSJWBJJ-HZPDHXFCSA-N", "SMILES:Cc1cc(C)c(C)c(OCCN[C@@H]2CCCC[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALCAQSSCMVWQC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(OCCCN2CCCC(O)C2)c(C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCANYCFIRVAYDS-IAGOWNOFSA-N", "SMILES:Cc1cc(C)c(OCCCN[C@@H]2CCCC[C@H]2O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOSUFQCXVHSPTC-CQSZACIVSA-N", "SMILES:Cc1ccc(OCCOCCN[C@H](C)CO)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNJHWHIVENNFJS-APTPAJQOSA-N", "SMILES:Cc1cc(C)c(C)c(OCCOCCN[C@H]2CCCC[C@@H]2O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWIPQLTJURLSV-GBESFXJTSA-N", "SMILES:COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)N[C@H]2CC[C@@H](OC)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQRCENSNLFTCS-GOSISDBHSA-N", "SMILES:COc1ccc(CNc2nc(N3CCC[C@@H]3CO)ncc2C(=O)NCc2ccccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIDQLKEBURYTO-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)NCCN2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWWTBKSLNIILE-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)OCc2ccccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMVCIGWRQNMPD-BZSNNMDCSA-N", "SMILES:COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)N[C@H]2CC[C@H](O)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSMPCAWXVNAJK-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)NCc2ccccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMXBLVJBNGJENV-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)OCc2ncccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJJDPAUDJRDIQ-IZAXUBKRSA-N", "SMILES:COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)N[C@H]2CC[C@@H](O)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFQCGXUAGOJKPS-ZWKOTPCHSA-N", "SMILES:COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NC[C@@H]2CN(C)CCO2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3352836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RECLIWYSXXJJLO-HNNXBMFYSA-N", "SMILES:COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NCCCO)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDBFSZFOLCDJAC-HSZRJFAPSA-N", "SMILES:COc1ccc(CNc2nc(N3Cc4ccccc4C[C@@H]3CO)ncc2C(=O)NCc2ccccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTURKCWHDKPJE-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)Nc2ncccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXFYABREIFVMB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)NCCCCO)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNMFOIYJYGUNHZ-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1cnc(OCc2ccccn2)nc1NCc1ccc(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYMPKJGLZFBKS-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)NCCCO)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKPGLRUGHPOJKY-IBGZPJMESA-N", "SMILES:COc1ccc(CNc2nc(N3CCCC[C@H]3CO)ncc2C(=O)NCc2ccccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBHOEUEIAWDGH-KRWDZBQOSA-N", "SMILES:COc1ccc(CNc2nc(N3CCCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXUGHCZIHZNMG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N(C)CCO)ncc2C(=O)NCc2ccccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDBTWXRJWPUQH-SFHVURJKSA-N", "SMILES:COc1ccc(CNc2nc(N3CCO[C@H](CO)C3)ncc2C(=O)NCc2ccccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVORLUPCRVONIB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N3CCC(O)CC3)ncc2C(=O)NCc2ccccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWVTUGUQBIJMN-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)c2nc(OCc3ccccn3)ncc2C(=O)NCc2ccccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVKWDOICNJSYQM-UHFFFAOYSA-N", "SMILES:CCCCOc1ccccc1-c1nc2c(cnn2-c2ccc(Br)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDUSMVPGGANBN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1OCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFFDDTZRHTZHF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAELQTMCMHUMBQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CNc2ccccc2O)nc2c1cnn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWZHPPQRBJHFTB-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1-c1nc2c(cnn2-c2ccc(Br)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSQWNXGMMAMPF-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccccc2O)nc2c1cnn2-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNDVBTSXOVWGKY-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NCc1nc2c(cnn2-c2ccc(Br)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHUDKYWNWMVEA-UHFFFAOYSA-N", "SMILES:CCCOc1ccccc1-c1nc2c(cnn2-c2ccc(Br)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUYCRNMXXOIQG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CNc2ccccc2O)nc2c1cnn2-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NODXIPZYXYPCBA-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUAADXSMJLYEGA-UHFFFAOYSA-N", "SMILES:CCCOc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBQNQUKBPQXJY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFCMGDPAMCQDG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccccc2O)nc2c1cnn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPLDRVXYKGMMN-UHFFFAOYSA-N", "SMILES:CCCCOc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUBXFSSCDVVKX-HAMNQKLPSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWXOYTTXJSLUBW-XNGNZPCXSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL315348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFYCEAFSNDLKSX-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)cc(=O)oc2c1"], "chembl_natural_product": true}
{"name": "Immunoglobulin lambda variable 6-57", "xref": ["CHEMBL.TARGET:CHEMBL4739844"], "id": "UniProtKB:P01721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEMCAYXSPKJSJB-UHFFFAOYSA-N", "SMILES:CC1CCCCC12NC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBIZXWSVLJMQRX-GFCCVEGCSA-N", "SMILES:CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBIZXWSVLJMQRX-LBPRGKRZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBAVTHSLBRRSD-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(F)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PATUIJZXCQRCLB-BJMVGYQFSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGBGSTYVHBWKT-UXBLZVDNSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJJVZWVJDKKFDF-YCRREMRBSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXJBLRCFWGEKML-XBXARRHUSA-N", "SMILES:O=C(/C=C/c1cccc(F)c1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQJTPJPUDKVBG-FARCUNLSSA-N", "SMILES:O=C(/C=C/c1ccc(F)c(F)c1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNAQWWLMBDNEAL-YCRREMRBSA-N", "SMILES:O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYJOQHFALEUSV-XBXARRHUSA-N", "SMILES:O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHFADEWCYJMXPO-WEVVVXLNSA-N", "SMILES:O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELGSSFASABHGK-FPYGCLRLSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCYPXBSJTHOSNZ-ONNFQVAWSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4757941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRXUPCYACFMAW-RUDMXATFSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTURXSGSWBEJIN-RUDMXATFSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLBSOIAPINYYML-XBXARRHUSA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQCPGWSIAPLGCL-YCRREMRBSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMRQAJBLVZTUQQ-ORCRQEGFSA-N", "SMILES:O=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKYBIDKDIAGFD-WEVVVXLNSA-N", "SMILES:N#Cc1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONPHXLHCZVJRR-XBXARRHUSA-N", "SMILES:O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXUCCPZPSBZBCN-JXMROGBWSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)/C=C/c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLIHKWFLHDOQRH-WEVVVXLNSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMXYNPRGZMSET-VMPITWQZSA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMRVAQZEEHVLMS-VMPITWQZSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)/C=C/c3cccc(F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLWNIWVMGBABP-RUDMXATFSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDMGBZIZUTHFQ-XVNBXDOJSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)/C=C/c3ccc(F)c(F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHMYJFNFKLTCN-RMKNXTFCSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)/C=C/c3ccc(C#N)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGAFOKYCXXBRN-RMKNXTFCSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)/C=C/c3ccccc3OC(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJHMGIJYNLTEAW-XBXARRHUSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFDYOHXOZOXYQL-QPJJXVBHSA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBULBQFJRCQAZ-XVNBXDOJSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XADDZLVRZVOPTA-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc2c(c1)C=CS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNEHIGLGCBHIHO-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)C=CS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEFSGIFQZRHLD-QHHAFSJGSA-N", "SMILES:O=C(/C=C/c1ccc(F)c(F)c1)Nc1ccc2c(c1)C=CS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJZXDEROPUOKCL-QPJJXVBHSA-N", "SMILES:O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)C=CS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARJYJMVBLZXLQL-VMPITWQZSA-N", "SMILES:N#Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMUCLUOQUMGEO-UHFFFAOYSA-N", "SMILES:NCc1nn[nH]c1CNS(=O)(=O)c1ccccc1"]}
{"name": "Beta-lactamase VIM-2", "synonym": ["beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL5798"], "id": "UniProtKB:Q9K2N0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOCXJVRLLXSBD-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCc2[nH]nnc2COC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFJREBPCTXUOH-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCc2[nH]nnc2CNC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICYXSNPMWTBRY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCc2[nH]nnc2CNC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXZDLJIMDEVAZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1[nH]nnc1CNC1CCCCC1)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFVIUHIFPZJHNX-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1[nH]nnc1CNC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHJVOXQRPMCEEP-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1[nH]nnc1CNC1CCCCC1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGLCXNCZZBHFL-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1[nH]nnc1CNC12CC3CC(CC(C3)C1)C2)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBUMSYMXWBHFCY-UHFFFAOYSA-N", "SMILES:COc1ccc(CSCc2nn[nH]c2CNS(=O)(=O)c2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWAYILOZNNHJE-UHFFFAOYSA-N", "SMILES:COCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PARZINLYGGHVQY-UHFFFAOYSA-N", "SMILES:CC(C)OCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPUWRGAZUOXMX-UHFFFAOYSA-N", "SMILES:CC(=O)OCc1nn[nH]c1CNS(=O)(=O)c1ccc(I)cc1"]}
{"name": "GIM-1 protein", "xref": ["CHEMBL.TARGET:CHEMBL4105738"], "id": "UniProtKB:Q704V1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURPUMYKCYKXSQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1[nH]nnc1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSSNUVCGWLEHMP-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(O)cc1)n1ccc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGRVWMFCJQROU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(O)c(F)c1)n1ccc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLOIGZKJRMMKE-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1O)n1ccc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABRRJUACOGIJQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(O)cc1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZLABRERZIUDK-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(O)cc1)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJYCEUKCUZFDI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cc2ccccc2[nH]1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSIPHOSGIVKTKO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZAVWVAEARSISR-HOCLYGCPSA-N", "SMILES:CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(N4CCSCC4)cc3OC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKTDJPLMSXUUBG-UFYCRDLUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIMPBDNCFVRRS-UFYCRDLUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSSZALJAOQZNDG-ACRUOGEOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(CO)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNYOHGUVYWFXPI-ACRUOGEOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTZQLWFNELFULE-ACRUOGEOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(N)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXYDNWCQHNLPP-FHWLQOOXSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATDNVFIQJDCRK-ACRUOGEOSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTTCSHDQYKDWKR-FBVAEJEDSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRJVZXDXGHMLI-WBAXXEDZSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHFLMSBDTYOHD-IRXDYDNUSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURJQKYOVLBILQ-HOTGVXAUSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJOBCMTWIFWOC-AABGKKOBSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRFORPKWBRVEL-HOJAQTOUSA-N", "SMILES:N=C(N)NCC[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCJOKQMBHAVAG-HOJAQTOUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)C[C@@H](CCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQCJZTZJJXGCX-BALDRSJZSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDZRYDWESJRQX-TZPCGENMSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRHGVTIXTGXSSF-UHFFFAOYSA-J", "SMILES:CC(C)=CCCC(=O)NCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTLYFKMRNFXPW-DNFNZZLOSA-J", "SMILES:CC(C)=CCC/C(C)=C\\CCC(=O)NCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTLYFKMRNFXPW-MEVDHSCASA-J", "SMILES:CC(C)=CCC/C(C)=C/CCC(=O)NCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVVAYYZESCPPL-ZYBMAYOESA-J", "SMILES:CC(C)=CCC/C(C)=C\\CC(=O)NCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGWRYIVHBAFVMG-LOSFGHDGSA-J", "SMILES:CC(C)=CCC[C@@H](C)CC(=O)NCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGWRYIVHBAFVMG-HZAYLZKLSA-J", "SMILES:CC(C)=CCC[C@H](C)CC(=O)NCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVIRNVFYWMGLNY-WGIPAOIWSA-J", "SMILES:CC(C)=CCC/C(C)=C\\C(=O)NCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVIRNVFYWMGLNY-ARLMWRGNSA-J", "SMILES:CC(C)=CCC/C(C)=C/C(=O)NCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTOZLXJMIAVMAQ-DNFNZZLOSA-J", "SMILES:CC(C)=CCC/C(C)=C\\CCn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLFWJIBUZQARMD-UHFFFAOYSA-N", "SMILES:Sc1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTSZVZQNMNPCT-UHFFFAOYSA-N", "SMILES:Nc1ncccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1521174", "category": ["biolink:ChemicalEntity"], "name": "2-MERCAPTONICOTINIC ACID", "xref": ["InChIKey:WYKHFQKONWMWQM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccnc1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVGSPCXHRFDDR-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119888", "category": ["biolink:ChemicalEntity"], "name": "THIOSALICYLIC ACID", "xref": ["InChIKey:NBOMNTLFRHMDEZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2133556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZYSQOTAYFTNM-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHYZMEAZAIFMTN-UHFFFAOYSA-N", "SMILES:CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHJKOMBEHKNUGX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(OCC)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPNVCLSWQNOPI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(OCC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPLGHLBFCKVYMS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(-c2ccc(OCC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMCSHMSOUOJYQJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cncc(-c2ccc(OCC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGHWGGRPAYIIY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(OCC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKIIFIISVCUEMN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2ccc(OCC)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBJCQWYKWUOURF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2ccc(OCC)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KANJMAYCVZVTER-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDEQDFXAERQEKA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(OC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJOIAKPUPVYPW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBLMYNLYQZDCLU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(N(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHIMTJOPAXJJTF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(OCC)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVQWASGOCSRPKQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQLYCKSOOYCPC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccsc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZAXHYQEGCOCPF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTGMLCLIDUPQB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGKJNHGYKGICW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(CN3CCCCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCCWVBFDRMGFOP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(CN(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXMRIARGYGANBY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSLCADIEOFGDD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPAYZOTBVCNFQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc3c(c2)CCN3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYCIETFVEOGVAO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc3c(ccn3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQDFPIMLUNZGJR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(OCC)c([N+](=O)[O-])c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJKYXCLLTZXCP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(OCC)c(N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOLCGCVGOTROB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(CN(C)C)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSQNWVDQGXOFZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(CN3CCN(C)CC3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASJGWXCQBDDFAR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAERKSTVPUMAOC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(C(=O)CN(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFKEXHQKSLKFT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(C(C)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCTZYVGYOHVINL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(C(C)N(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSNFCEGJSTTYOA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(C(C)N3CCN(C)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSGTXHYGSGKOPE-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)c1cccc(-c2ccc(OCC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBJYHJFPULWDEG-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(S(=O)(=O)N(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEWBSEKCSPLIDR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(S(=O)(=O)NC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLSCQQQMISMLM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGCUORAYGLYSNI-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)c1cccc(-c2ccc(OCC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVEBNODLRGAXJR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(C(=O)OCCOC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSODXYOWWXZDIA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(C(=O)OCC(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUJRZFAMWNQLHJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDIDXADGGAXKN-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHONIOFSYPNTPJ-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cccc(-c2ccc(OCC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPXLDVONSAAOGP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHRRAGBEHCYHJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(NC(C)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYRSXZFEDKEAC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(NC(=O)N(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYFZESCMIGUOPB-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cccc(N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGVGCMWDOQKUIL-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAZHIXNRZYZFW-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOOQJQYGUOJYPA-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIHCQGZGVPEJSW-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVKBWWOCVWJKP-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cccc(NC(=O)Oc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVFHXCCHXGDRF-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N(C)c1cccc(-c2ccc(N(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPHJYJTAHWUGG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2ccc(OCC)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLUSVQNDUDULSF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCCC(c2ccc(OCC)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JURNESPAKRBWFF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPRTTCMUDUSAG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(CN3CCCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBCXGAQHUHYNJY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(CN3CCN(C)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYTXFUBAZNNBP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTJNFNKYGTSLJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLRSMLFFJGMOL-UHFFFAOYSA-N", "SMILES:CCCCCCOC(=O)c1cccc(-c2ccc(OCC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTAZRYOKMSCBFV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(C(=O)OCCOCCOC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOSHWQZKCYXNKP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(C(=O)NC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLCKZZSERLWDPW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROIZYNCGNGGIX-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYYJOFECYWNDV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSCUUIMHEQRBGM-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cccc(NC(=O)N3CCOCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMAGZSMBPZVNR-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cccc(NC(=O)C(C)(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJAOIXTZYFZFJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)N(C)c1cccc(-c2ccc(N(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJIYUQUTGUGNDG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(-c2ccc(OCC)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPFBTMPYHLZHFJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTORPMJFKMBCPR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2cc(O)c(C(=O)OC)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYYGIZAXNRORQJ-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)c1nn(-c2ccc(OCC)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTNGQELIESBHOI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(-c2ccc(OCC)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLZOLNICDHPQGI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(-c2ccc(OCC)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJBSQZLWKOOOT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccn(-c2ccc(OCC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUKSKOOWGLLFD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2cc(O)c(C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWDBEYFPIXISP-QZQOTICOSA-N", "SMILES:Cc1ccc(/N=N/c2ccc(N)c3ccc(O)cc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHTMNUWTKQFBPP-QZQOTICOSA-N", "SMILES:Cc1ccc(/N=N/c2ccc(N)c3cc(O)ccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDIFMUKTBLZGL-QZQOTICOSA-N", "SMILES:Cc1ccc(/N=N/c2ccc(N)c3ccccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFTZBJTOYWLAJ-FMQUCBEESA-N", "SMILES:Cc1ccc(/N=N/c2c(O)ccc3ccccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOIRAUGDBPHHI-QZQOTICOSA-N", "SMILES:Cc1ccc(/N=N/c2c(O)ccc3cccc(N)c23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDFJLNFZVDNAA-QZQOTICOSA-N", "SMILES:Cc1ccc(/N=N/c2cc3ccccc3c(C=O)c2O)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEOGTYKMQWJARH-VHEBQXMUSA-N", "SMILES:Cc1ccc(/N=N/c2cc3ccc(=O)oc3cc2O)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPHXJQQHGKOPRT-VHEBQXMUSA-N", "SMILES:NS(=O)(=O)c1cccc(/N=N/c2ccc(O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQWZBDSVBOVGOR-WUKNDPDISA-N", "SMILES:Cc1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXHDPHYZULAOTP-QZQOTICOSA-N", "SMILES:Cc1ccc(/N=N/c2cc(C(=O)O)c(O)c3ccccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLALBKOFXZYGLX-FMQUCBEESA-N", "SMILES:Nc1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFFMEQLKYDDKL-FMQUCBEESA-N", "SMILES:Nc1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQOYMQGDSVYMO-VHEBQXMUSA-N", "SMILES:NS(=O)(=O)c1cccc(/N=N/c2c(O)ccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRHZODJAXYMZJL-ISLYRVAYSA-N", "SMILES:NS(=O)(=O)c1cccc(/N=N/c2cc3ccc(=O)oc3cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQDTWYQUUSOMG-FOCLMDBBSA-N", "SMILES:NS(=O)(=O)c1cccc(/N=N/c2ccc(O)c(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDVXQOIRAJUMFW-FMQUCBEESA-N", "SMILES:NS(=O)(=O)c1cccc(/N=N/c2cc(C(=O)O)c(O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHXXZUPMORJKH-FMQUCBEESA-N", "SMILES:Cc1ccc(/N=N/c2ccc(O)c3ncccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCJOFQKFWJAQQ-VHEBQXMUSA-N", "SMILES:NS(=O)(=O)c1cccc(/N=N/c2ccc(O)c3ncccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVKSSWMWPZDOV-CCEZHUSRSA-N", "SMILES:NS(=O)(=O)c1cccc(/N=N/c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZQIIFNACVSQRR-ISLYRVAYSA-N", "SMILES:Oc1ccc(/N=N/c2ccccc2)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMALLTMJOMFIMV-VHEBQXMUSA-N", "SMILES:O=C(O)c1cccc(/N=N/c2ccc(O)c3ncccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYSDEAUKYVHBQ-VHEBQXMUSA-N", "SMILES:O=C(O)c1ccc(/N=N/c2ccc(O)c3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIAGGSRRAAHALT-ISLYRVAYSA-N", "SMILES:O=S(=O)(O)c1ccc(/N=N/c2ccc(O)c3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648362", "category": ["biolink:ChemicalEntity"], "name": "GSK789", "xref": ["InChIKey:NDEORODKVUYMFQ-NHCUHLMSSA-N", "SMILES:Cc1cc2c(-c3ccco3)cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPMMWAOCCOULO-JBRSBNLGSA-N", "SMILES:CO[C@H]1CNC[C@@H](OCC2CCC(F)(F)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBQHNYWAGFECR-IAGOWNOFSA-N", "SMILES:Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBQHNYWAGFECR-DLBZAZTESA-N", "SMILES:Cc1cc2ccnc(N[C@@H]3CCNC[C@@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAPJJUPCAYXNL-IAGOWNOFSA-N", "SMILES:Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NCC3CCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXHXLZEIBECHT-HUUCEWRRSA-N", "SMILES:Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NCC(C)C)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAJVIXPYLAGRLE-HZPDHXFCSA-N", "SMILES:Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHNYUZDSCQQUEB-HUUCEWRRSA-N", "SMILES:Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NCC3CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PESPUVVMCXNJBJ-FVQBIDKESA-N", "SMILES:Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)N[C@H](C)C(C)C)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYLTSMMMZXXPP-HZPDHXFCSA-N", "SMILES:Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCOCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRKXNWUDKIREF-BZUAXINKSA-N", "SMILES:Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)N[C@@H]3CCCOC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRKXNWUDKIREF-ARFHVFGLSA-N", "SMILES:Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)N[C@H]3CCCOC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVWZKLLNFJCYRQ-NWANDNLSSA-N", "SMILES:CO[C@@H](C)CNC(=O)[C@@H]1CNCC[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTLZVHRUUXSLSQ-DHIUTWEWSA-N", "SMILES:Cc1cc2c(-c3ccccc3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLLANNNIIUFCPS-DHIUTWEWSA-N", "SMILES:Cc1cncc(-c2cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEOXKUPFVGUXAN-WOJBJXKFSA-N", "SMILES:Cc1cc2c(-c3cccs3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBSZVHADOJULV-NHCUHLMSSA-N", "SMILES:Cc1cc2c(-c3ccsc3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJTGZSFEVXSXIQ-WOJBJXKFSA-N", "SMILES:Cc1cc2c(-c3ccco3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJTGZSFEVXSXIQ-PMACEKPBSA-N", "SMILES:Cc1cc2c(-c3ccco3)cnc(N[C@H]3CCNC[C@@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAWTMUHDBRCLY-NHCUHLMSSA-N", "SMILES:Cc1cc2c(-c3ccoc3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSULJISNBQDRV-NHCUHLMSSA-N", "SMILES:Cc1cc2c(-c3cnn(C)c3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNATYUAWAUSRLY-FJHBEECASA-N", "SMILES:C/C=C/c1cnc(N[C@@H]2CCNC[C@H]2C(=O)NC2CCCCC2)c2[nH]c(=O)c(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTWGJFORKMMLOL-FGZHOGPDSA-N", "SMILES:Cc1cc2c(C3=CCCC3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHAXDHHYFHRXLI-DHIUTWEWSA-N", "SMILES:Cc1cc2c(C3=CCCCC3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLLGXCCVZNDDO-FGZHOGPDSA-N", "SMILES:Cc1cc2c(C3=CCOCC3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIMWWTYINYFHCJ-NHCUHLMSSA-N", "SMILES:Cc1cc2c(-c3ccco3)ccc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUHIQCLYTZKCIE-QZTJIDSGSA-N", "SMILES:Cc1cc2cccc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGOXDTMTJJAUNE-FGZHOGPDSA-N", "SMILES:Cc1ccc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBBKKKYCVPGDNE-FGZHOGPDSA-N", "SMILES:Cc1coc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARCEMFPPSAKMG-FGZHOGPDSA-N", "SMILES:Cc1ccoc1-c1cnc(N[C@@H]2CCN(C)C[C@H]2C(=O)NC2CCCCC2)c2[nH]c(=O)c(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGLVNKELONMHM-NHCUHLMSSA-N", "SMILES:Cc1cc2c(-c3cccs3)cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGWWNMMCOWJJN-FGZHOGPDSA-N", "SMILES:Cc1ccc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWJWQFNTNSPIV-FGZHOGPDSA-N", "SMILES:Cc1csc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXPMELJELCJTP-FGZHOGPDSA-N", "SMILES:Cc1ccsc1-c1cnc(N[C@@H]2CCN(C)C[C@H]2C(=O)NC2CCCCC2)c2[nH]c(=O)c(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTOGEPIYVQSFF-FGZHOGPDSA-N", "SMILES:Cc1cc2c(-c3cnn(C)c3)cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O"]}
{"name": "Transcription initiation factor TFIID subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL3217390"], "id": "UniProtKB:P21675", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription initiation factor TFIID subunit 1-like", "xref": ["CHEMBL.TARGET:CHEMBL3108641"], "id": "UniProtKB:Q8IZX4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQZMDBQRGRRPMS-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3cc(Cl)ccc13)CCCC2"], "synonym": ["6-Chlorotacrine HCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYRNFOXBTQIJSJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CCN)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXSUQNNLNNUDLZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CC(=O)NCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXFXZRLHHKPPR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CC(=O)NCCCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMFQUPSTUUCIS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CC(=O)NCCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXJEOGAMRWBRC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CC(=O)NCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUORENXKCKPFF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CCC(C)(CC(=O)NCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMCLEUFICTWJAY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CCC(C)(CC(=O)NCCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUYMOXZKSCJQY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CCC(C)(CC(=O)NCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFMKVTKMAZTQRZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CC(=O)NCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMJSUNRZFVJJHT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CC(=O)NCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBUVCITWHPAWGO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CC(=O)NCCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNVGOUUUZBVXPV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CC(=O)NCCOCCOCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYLGVOFITHEPJQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CCC(=O)NCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBTQZRHMEIWKAX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CCC(=O)NCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKJWDFQBYGCOQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CCC(=O)NCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWAJTAQZIKDHGT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CCNCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZGKESBGVBGSPI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CCNCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIACPOGORNYWLC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CCNCCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZABYNHVFXOCEC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCC(C)(CCNCCOCCOCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPJKGLZUCPORL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CCC(C)(CC(=O)NCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCHXMKVUYVNKRR-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMFBTDIGSJXGD-ROUUACIJSA-N", "SMILES:N#CC1(NC(=O)[C@H](Cc2ccccc2)N[C@@H](c2ccccc2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVDJHTZUKVHPER-ROUUACIJSA-N", "SMILES:N#CC1(NC(=O)[C@H](Cc2ccccc2)N[C@@H](c2ccc(Br)cc2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVDJHTZUKVHPER-QZTJIDSGSA-N", "SMILES:N#CC1(NC(=O)[C@@H](Cc2ccccc2)N[C@H](c2ccc(Br)cc2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNYMVNPCXIUAW-RBUKOAKNSA-N", "SMILES:Cc1ccc([C@@H](N[C@@H](Cc2ccccc2)C(=O)NC2(C#N)CC2)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYYJRCXZPSYSQ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2cc(C3Nc4cccc5cccc(c45)N3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVNOODSWHKAMMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccncc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKLODFUJEMCKTM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBQYIWZRTVEIX-UHFFFAOYSA-N", "SMILES:CNc1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURCXKPVZYNZNK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NC2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULPLYWWBMGLEW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(Nc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIWEFVHGHRCSS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJFQLRSQFGONM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N(C)Cc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVDIQDHHKXEKY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCC2CCCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDZOPBMFZRYRQW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBAXQWQOJRMEL-MRXNPFEDSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@H](C)c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBAXQWQOJRMEL-INIZCTEOSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](C)c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIWKOPDHCQHDR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N2CCCC2c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKEDMLWTOJTAAN-OAQYLSRUSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H]2CCCc3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAWZWSXZWSVSN-HXUWFJFHSA-N", "SMILES:CC[C@@H](Nc1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWSYHXQOARJYBV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NC(C)(C)c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZANYZHNRPIGPX-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNc1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJZNLHODCFABT-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2nccn(-c3cc(C(=O)NC4CC4)ccc3C)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMEORYSMEVWEPD-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nccn(-c3cc(C(=O)NC4CC4)ccc3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYRNLVVBAPZHO-HTAPYJJXSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CO)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNKRNGMBQJISQ-YADARESESA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN(C)C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHDPCEDWVBEHRX-WXVAWEFUSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLPPCRBIYNNFQT-HFZDXXHNSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCOCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPGDIECQHNNIDJ-HFZDXXHNSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCNCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVPDBDIWAIUGS-OREGWCPLSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCN[C@H](C)C2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVPDBDIWAIUGS-BCQCSXDESA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCN[C@@H](C)C2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFFVQOOXCIGAC-WXVAWEFUSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCN(C)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIILALUCIFGCO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCc2ccccc2OCCN2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTULZVBWSISKJ-RUZDIDTESA-N", "SMILES:CC[C@@H](Nc1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O)c1ccccc1OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLXCYKCZBAUQHU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NC(C)(C)c2ccccc2OCCN2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZVRXTVWZAHBI-UHFFFAOYSA-N", "SMILES:CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHGFIVRJXHRKQA-FQEQRRFLSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCc1cccnc1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWESKBBRYFJONE-LJADHVKFSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1ccc2ccccc2c1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJWPVVTQHYCRD-WGXSSYHUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(Cc2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSGFPDGLSMLQN-MQDBWYGVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)COc1ccc2ccccc2c1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLKPIAODISVZGF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFNATWVEOFZTG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CCc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMMDJFFGIHKYFC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAIQCWBTEGTVDC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CCCCc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAIVKPDXBUZUCJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQIKNYHGQHEJO-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVHHVNDMLYXVHU-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(Cc2ccccc2)CC1)N1CCNc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZUKHZLEYGNNQ-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(c2ncccc2Cl)CC1)N1CCNc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILYCKHYNBLLHL-UHFFFAOYSA-N", "SMILES:Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAOPXIFTPALNDV-UHFFFAOYSA-N", "SMILES:O=C(N1CCC2(CC1)OCc1ccccc12)N1CCNc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJJXULBZSBNEPW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMWBKRZIIJUSJ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMWBKRZIIJUSJ-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNJKYICBVXZQR-OAHLLOKOSA-N", "SMILES:Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGFNKHDUMDZKGI-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)C2CCN(c3ccccn3)CC2)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKOQDRQSQQGEAH-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXSSDCFALOZSR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CCN(C)c3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXGKMMEXLTHTB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)N2CCN(c3ccccc3C)CC2)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKSLKNMVKISHQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)N2CCN(c3ccccc3C)CC2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYVINZIBYQNJQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CCNc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGIKDRKITWRGO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CCNc3ccc(Cl)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNBAPJBWTWPGNI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CNCc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXYCMWVNOWQDFM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CN(C)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQXCQBASDSCXSX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CN(S(C)(=O)=O)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWGCXWKUFIBQBX-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2cc(Cl)ccc2N(C(=O)N2CCN(c3ccccc3C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILAMSZWRQPUFNA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLOXXPKCOGIIZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPOVQOQPBLHVLM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLCMEFLKIZDNE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPVXCXVKVYSJN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)c3ccccc3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYKCPRFWVMSNW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)CO)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJAZTBPYQWYGCB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3(c4ccc(F)cc4)CC3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYOLTHBDMGBDJW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLJGVIHFYZJDOY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBZPBWCAJVQAET-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIRVXJGAJBPAV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJADXPRPSPYOJG-JOCHJYFZSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2C[C@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJADXPRPSPYOJG-QFIPXVFZSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJUKOXWSIGULLE-AVSCZAOXSA-N", "SMILES:C[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416885", "category": ["biolink:ChemicalEntity"], "name": "RO-5028442", "xref": ["InChIKey:QZXVLRCMAHJVIP-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21"], "synonym": ["Ro-5028442", "Ro5028442", "RO5028442"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4750050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMSCWVJSESXZLT-UHFFFAOYSA-N", "SMILES:Fc1cccc(COc2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQWSRKRYKFJRG-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIOCVRMGLGYPS-UHFFFAOYSA-N", "SMILES:Clc1ccc(COc2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWJVHLTBAMOOA-UHFFFAOYSA-N", "SMILES:Brc1ccc(OCCOc2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBAVXTRAXHAAKL-UHFFFAOYSA-N", "SMILES:Clc1ccc(OCCOc2nc3ccccc3s2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSHLTXJUVAREQ-UHFFFAOYSA-N", "SMILES:Brc1ccc(OCCOc2nc3ccccc3s2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVWTHZSTRPTMZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(CCCOS(=O)(=O)c3ccc(C)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDWXAJNDJGHODR-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAISOUCZKVCRHN-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(CCCOS(=O)(=O)c3ccc(C)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJJHNCCIGFOKG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3ccc(Cl)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWHVUSDIBUMJID-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3cccc(C)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACOPSPSRVWMKK-UHFFFAOYSA-N", "SMILES:CCc1cccc(-n2cc(CCCOS(=O)(=O)c3ccc(C)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPSBKVZXVOHEJZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3cccc(F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMZRORSNQXONP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3cccc(Br)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMGMITUSXNBCE-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2cc(CCCOS(=O)(=O)c3ccc(C)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRWRPBQXJVXNL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3cccc(C(F)(F)F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAOUHQIGZVZCBT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3cccc(C#N)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLKTLYOFLJGPJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3ccccc3C)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPHVRPPOWHQHPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3ccccc3-c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPSZRQFUNWTND-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(CCCOS(=O)(=O)c2ccc(C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQDVOJZMOXTSB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3ccccc3C(F)(F)F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRQKBBNFWLDFFA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCCCc2cn(-c3ccc(Br)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXYVNJXYQMACDG-UKILVPOCSA-N", "SMILES:CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccccc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGXLQHDKLPYLDY-LADGPHEKSA-N", "SMILES:C[C@]1(c2ccccc2)CN(C(=O)c2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLFLVCBPUPSAL-BJKOFHAPSA-N", "SMILES:C[C@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUXZEIGUWQDCNZ-RBUKOAKNSA-N", "SMILES:CC(=O)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](C)(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNOGAVMRKFTOCP-DLBZAZTESA-N", "SMILES:C[C@]1(c2ccccc2)CNC[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANKRNOZMVMNLJ-PKOBYXMFSA-N", "SMILES:C[C@]1(c2ccccc2)CN(CC(N)=O)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFHNUQIMHPUHY-ZWKOTPCHSA-N", "SMILES:C[C@]1(c2ccccc2)CN(S(C)(=O)=O)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYHMSZPCIZCSPX-AZUAARDMSA-N", "SMILES:CCOC(=O)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](C)(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBTVYXPRSQYQBA-AZUAARDMSA-N", "SMILES:CCNC(=O)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](C)(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUPBMBQMORRYNG-UKILVPOCSA-N", "SMILES:C[C@]1(c2ccccc2)CN(C(=O)NCc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTSCCZZJWSYDU-NOZRDPDXSA-N", "SMILES:C[C@@]1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CN(C(=O)NCc2ccccc2)C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBSAWBZGJQYNR-AZGAKELHSA-N", "SMILES:CC[C@]1(c2ccccc2)CN(C(=O)NCc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZZQWPNMECGJBM-UKILVPOCSA-N", "SMILES:C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFZXWMPAZINOKM-ZCYQVOJMSA-N", "SMILES:O=C(NCc1ccccc1)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](CO)(c2ccc(F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZZQWPNMECGJBM-NOZRDPDXSA-N", "SMILES:C[C@@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccccc2)C[C@@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWOHCMGUADUFY-AZGAKELHSA-N", "SMILES:COc1ccc(CNC(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVYCDZRSZPXSIU-BKMJKUGQSA-N", "SMILES:C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccc3c(c2)OCO3)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVMHDPAJABFAS-LADGPHEKSA-N", "SMILES:C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccncc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXYVFFSLTDHRCY-AZGAKELHSA-N", "SMILES:C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccc(C#N)cc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNDCXHHUIUCTG-AHKZPQOWSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXYVNJXYQMACDG-NOZRDPDXSA-N", "SMILES:CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@](C)(c3ccccc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLEBLNIHUKCNPF-UKILVPOCSA-N", "SMILES:CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSPJHSAVUXBGJ-UKILVPOCSA-N", "SMILES:CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFCHQITUJBNBS-LADGPHEKSA-N", "SMILES:C[C@]1(c2ccc(F)cc2)CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQQGWBXOULNAGK-XUZZJYLKSA-N", "SMILES:C[C@]1(c2ccc(F)cc2)CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCJZXNIBIVOCD-SQJMNOBHSA-N", "SMILES:C[C@]1(c2ccc(F)cc2)CN(C(=O)C2CCN(C(=O)C(N)=O)CC2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSAIHERMGKDZLS-WIOPSUGQSA-N", "SMILES:C[C@]1(c2ccc(F)cc2)CN(C(=O)C2CCN(C(=O)CO)CC2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOHMJUIXOIMSP-JYFHCDHNSA-N", "SMILES:COCC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACZDQDBHYAEIU-JYFHCDHNSA-N", "SMILES:C[C@]1(c2ccc(F)cc2)CN(C(=O)C2CCN(C(=O)CC#N)CC2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFVKRSLKLGFNMD-IGNJYQIWSA-N", "SMILES:C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc(C(=O)O[C@H]2CCCN(C(=O)[C@H]3COC(=O)C3)C2)cc1)c1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NADMBBGHEQYUMJ-NOIHCQADSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CCCO1)[C@H](Oc1ccc(C(=O)O[C@H]2CCCN(C(=O)[C@H]3COC(=O)C3)C2)cc1)c1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NADMBBGHEQYUMJ-WDXNIXBWSA-N", "SMILES:C[C@H](NC(=O)[C@H]1CCCO1)[C@H](Oc1ccc(C(=O)O[C@H]2CCCN(C(=O)[C@H]3COC(=O)C3)C2)cc1)c1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTGNJSAVWVWUQP-DHDULZGNSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)N[C@H]3CCCN(C(=O)[C@H]4COC(=O)C4)C3)cc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCJSYCYPQJPBNO-XDCBZQCGSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)O[C@H]3CCCN(C(=O)[C@H]4COC(=O)C4)C3)cc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRABYCSGVKSNC-ZLWLXJDCSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)N[C@@H]3CCCN(C(=O)[C@@H]4COC(=O)C4)C3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRABYCSGVKSNC-CDSYHYPYSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)N[C@H]3CCCN(C(=O)[C@@H]4COC(=O)C4)C3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRABYCSGVKSNC-PLLBJWBMSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)N[C@@H]3CCCN(C(=O)[C@H]4COC(=O)C4)C3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRABYCSGVKSNC-GHCZAOPSSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)N[C@H]3CCCN(C(=O)[C@H]4COC(=O)C4)C3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSJODAUGPFFCM-ITNQAFBNSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)N[C@@H]3CCCN(C(=O)[C@@H]4CCC(=O)O4)C3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSJODAUGPFFCM-JYFRSGACSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)N[C@H]3CCCN(C(=O)[C@@H]4CCC(=O)O4)C3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSJODAUGPFFCM-BWWCKNBVSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)N[C@@H]3CCCN(C(=O)[C@H]4CCC(=O)O4)C3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSJODAUGPFFCM-FJYDYCOSSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)N[C@H]3CCCN(C(=O)[C@H]4CCC(=O)O4)C3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZNNVIVDLGFSQD-KKSFZXQISA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)NC3CCCCC3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJELVKWMZHVGSD-KKSFZXQISA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)Nc3ccccc3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPAQOQEQDIOPK-HJPURHCSSA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIYJPUDTEXGYDR-JTSKRJEESA-N", "SMILES:Cc1ccc([C@@H](Oc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C)NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDISOBGWDHAHGF-AEFFLSMTSA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4COC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRSQULBCTWSVKL-MJGOQNOKSA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZACQBWWRMYDEL-YJLNNSPDSA-N", "SMILES:C[C@@H]1OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4110644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZACQBWWRMYDEL-BJZITVGISA-N", "SMILES:C[C@H]1OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4108687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZSHLVNKZZEKR-MJGOQNOKSA-N", "SMILES:CC1(C)OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFNBOVIAPKYHDH-QZTJIDSGSA-N", "SMILES:Nc1nccn2c([C@H]3CN4C(=O)CC[C@@H]4CO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZIDHDGMWINAQ-DLBZAZTESA-N", "SMILES:Nc1nccn2c([C@H]3CN4C(=O)OC[C@@H]4CO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4110412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNEKAOSGMIMLFY-MJGOQNOKSA-N", "SMILES:CN1C[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4106651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSECUMVFQSYGEV-UYAOXDASSA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CCCN4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4111979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSUYQLBHTVQHJS-SJLPKXTDSA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CCCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4108825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKMPSGMVJMNBLT-WBVHZDCISA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4COCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBUDLVLRHNAKJG-AEFFLSMTSA-N", "SMILES:CN1CC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMIQRSKHABIPRH-AEFFLSMTSA-N", "SMILES:COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4108563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPRFFJKXZSBPY-WBVHZDCISA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4110388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVAXKHBZTSPSHJ-MJGOQNOKSA-N", "SMILES:CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4111338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYKJANTYBGATM-WBVHZDCISA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OC(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4110993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWLQBGGWUAWKQ-WBVHZDCISA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4107779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMMNTQFZCHUZSM-MJGOQNOKSA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OC3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4113636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOLWNUFRDKTDSO-QUCCMNQESA-N", "SMILES:CC(C)Oc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKPCBHYQAOQDGE-IRLDBZIGSA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3Oc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4110727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGVSRKMECFYLHH-WBVHZDCISA-N", "SMILES:NC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4111886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMBYWCFFPAZQI-WBVHZDCISA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3C(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4107939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJQGMAQZXHIHD-APWZRJJASA-N", "SMILES:N#Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4110264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPJPMJMPMAERR-AEFFLSMTSA-N", "SMILES:CC(F)(F)c1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHEGAOAKVDINAK-WBVHZDCISA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OC(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZFNMYHDWJYEL-SRFGQFSHSA-N", "SMILES:CC(C)(C)C#CCOC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccc([C@H]4CC[C@H](NC(=O)c5cnc(CO)cn5)CC4)cc3)c[nH]2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKHVBAWKOVVNL-SRFGQFSHSA-N", "SMILES:CC(C)C#CCOC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccc([C@H]4CC[C@H](NC(=O)c5cnc(CO)cn5)CC4)cc3)c[nH]2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDKOMCWYRYLCM-RZBIQSIRSA-N", "SMILES:CC(C)(C)C#CCOC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccc([C@H]4CC[C@H](NC(=O)c5cnccn5)CC4)cc3)c[nH]2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHHDBTXMBNCQSU-RZBIQSIRSA-N", "SMILES:CC(C)C#CCOC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccc([C@H]4CC[C@H](NC(=O)c5cnccn5)CC4)cc3)c[nH]2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSJAYFHNQJQMNQ-RZBIQSIRSA-N", "SMILES:CCCC#CCOC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccc([C@H]4CC[C@H](NC(=O)c5cnccn5)CC4)cc3)c[nH]2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUNAINADBAMKPA-SODFOSHESA-N", "SMILES:CC#CCOC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccc([C@H]4CC[C@H](NC(=O)c5cnccn5)CC4)cc3)c[nH]2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUMSKPRJAMVJTC-WMOIWWGFSA-N", "SMILES:CCC#CCOC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccc([C@H]4CC[C@H](NC(=O)c5cnccn5)CC4)cc3)c[nH]2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCDLTWXVXUCNK-WMOIWWGFSA-N", "SMILES:CC#CCCOC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccc([C@H]4CC[C@H](NC(=O)c5cnccn5)CC4)cc3)c[nH]2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAOASHFLHJTNS-WMOIWWGFSA-N", "SMILES:CCCCCOC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccc([C@H]4CC[C@H](NC(=O)c5cnccn5)CC4)cc3)c[nH]2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEGYPUBTRHEIGS-NHWJCDGXSA-N", "SMILES:O=C(N[C@@H]1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccc([C@H]4CC[C@H](NC(=O)c5cnccn5)CC4)cc3)c[nH]2)c2ccccc2)C1)OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIAUUZDZGJVAB-IFDFBWTESA-N", "SMILES:COC1CCC(C(=O)N[C@H]2CC[C@H](c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](NC(=O)N5CC[C@@H](NC(=O)OCC6CCCCC6)C5)c5ccccc5)n4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XICVZIZAXPSQGB-ZFRPBYHLSA-N", "SMILES:COC1CCN(C(=O)N[C@H]2CC[C@H](c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](NC(=O)N5CC[C@@H](NC(=O)OCc6ccccc6)C5)c5ccccc5)n4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQRBRSXPGBOEC-IFDFBWTESA-N", "SMILES:COC1CCC(C(=O)N[C@H]2CC[C@H](c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](NC(=O)N5CC[C@@H](NC(=O)OCc6ccccc6)C5)c5ccccc5)n4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023898", "category": ["biolink:ChemicalEntity"], "name": "DACLATASVIR", "xref": ["InChIKey:FKRSSPOQAMALKA-CUPIEXAXSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C"], "synonym": ["Daclatasvir", "Daclatasvir", "Daclatasvir", "Daclatasvir", "Daclatasvir", "BMS 790052", "BMS-790052", "EBP 883", "EBP-883", "Daclatasvir"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4743698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFZICSYCUPGPF-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2ccc(-c3nn(C)c4nc(N)ncc34)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISUVPPEXVSXQF-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(OCC3CCNCC3)c(F)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSWZHRVQJSIDFD-QXMXGUDHSA-N", "SMILES:Cn1nc(-c2ccc(OCC3C[C@H]4CC[C@@H](C3)N4)c(F)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTYKOZIRPDGSI-BJHJDKERSA-N", "SMILES:Cn1nc(-c2ccc(OC[C@H]3CC[C@@H](N)CC3)c(F)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTYKOZIRPDGSI-AULYBMBSSA-N", "SMILES:Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBLHVKRSBVZJG-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYETXVFKGDZVBY-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(OCC34CCC(O)(CC3)CC4)c(F)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMVDZUKCKOVTL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCVWOOXKULKRR-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(-c3ccc(OCC45CCC(N)(CC4)CC5)c(F)c3)nc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTASGLRYAARGP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc3[nH]ncc23)cnc1OCC12CCC(N)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOAJWCCLCQRBIH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc3[nH]ncc23)cnc1OCC12CCC(O)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLSSCOTQRLGCR-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(OCCCC3CCNCC3)c(F)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVQLDTRDFAVTLT-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(OCC3CC4(CNC4)C3)c(F)c2)c2cnc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZDPGSCHBPJMQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nn(C)c3nc(N)ncc23)cnc1OCC12CCC(N)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPJVKWVZUUSFT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(OCC34CCC(N)(CC3)CC4)c(C)c2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LATIEUULELUCDJ-RCCKNPSSSA-N", "SMILES:CN(C)c1ccc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIGDXSTQYFFDW-XDHOZWIPSA-N", "SMILES:COc1cc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYPXVCJXZZIEHP-CPNJWEJPSA-N", "SMILES:COc1ccc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQBXZUSPZENHJ-XSFVSMFZSA-N", "SMILES:COc1ccc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRKUWAOFPVMTL-DEDYPNTBSA-N", "SMILES:Cc1cc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMISERWDANTVBG-LDADJPATSA-N", "SMILES:COc1cc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKEFOUIFOKWGCX-GZTJUZNOSA-N", "SMILES:O=C(CCN1CCOCC1)Nc1ccc2c(c1)/C(=C\\c1ccc(O)c(O)c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGTZYRNFFJCVBI-CPNJWEJPSA-N", "SMILES:O=C(CCN1CCOCC1)Nc1ccc2c(c1)/C(=C\\c1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKGJMFMGSUBQLH-HMMYKYKNSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\\c1cnc3ccccn13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUOZHCGWAYBNR-DEDYPNTBSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\\c1ccc3[nH]ncc3c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSATXVPUIVCJDC-KGENOOAVSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\\c1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQVTLGIDPZWMU-LDADJPATSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\\c1ccc(F)c(Cl)c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZZLQABVTZLJZ-XSFVSMFZSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\\c1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCPIWDZIBSSFQT-NBVRZTHBSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\\c1ccco1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBJIJGZMKBWDRU-LICLKQGHSA-N", "SMILES:O=C1Nc2ccc(NC(=O)N3CCOCC3)cc2/C1=C\\c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGYCZLFEZKVSN-OQLLNIDSSA-N", "SMILES:O=C1Nc2ccc(NC(=O)N3CCOCC3)cc2/C1=C\\c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YECCYSATHSCPCE-GZTJUZNOSA-N", "SMILES:O=C(CCN1CCOCC1)Nc1ccc2c(c1)/C(=C\\c1ccc(F)c(Cl)c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYAGMMAFHPTQQ-NBVRZTHBSA-N", "SMILES:O=C(CCN1CCOCC1)Nc1ccc2c(c1)/C(=C\\c1n[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDVULFPJFDZBFJ-DEDYPNTBSA-N", "SMILES:O=C(CCN1CCOCC1)Nc1ccc2c(c1)/C(=C\\c1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXKNQDBQCQHPJ-XDHOZWIPSA-N", "SMILES:O=C(CCN1CCOCC1)Nc1ccc2c(c1)/C(=C\\c1ccc3[nH]ncc3c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHUJCQOUWQMVCG-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBJFFCSTXBTFV-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUSYIHKIJXJZMS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQFNUGZTSLAOK-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2ccccn2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUQZTKCWPJKKDY-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCUEAJARGYWOA-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZBLTCXTGCXPZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)C2CN(C)CCO2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFJNPXWGBWTJST-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)C2CN(c3ccccc3)CCO2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMMIWILOKSUQQF-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)C2CN(c3cccnc3)CCO2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDUEWUWHYXMLI-HXUWFJFHSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)[C@H]2CN(c3ccc(C4CC4)nc3)CCO2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOCCTPLZCAJZLV-IVAOSVALSA-N", "SMILES:COc1cc(O)c([C@@H]2O[C@H](CO)C(F)(F)[C@H](O)[C@H]2O)cc1Cc1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGFAONHCWSEQV-FUMNGEBKSA-N", "SMILES:OC[C@H]1O[C@@H](c2cc(Cc3cc4ccccc4s3)c(Cl)cc2O)[C@H](O)[C@@H](O)C1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJRROXRYCTJJZ-IVAOSVALSA-N", "SMILES:COc1cc(Cl)c(Cc2cc3ccccc3s2)cc1[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKKJTPZDCJSJW-FUMNGEBKSA-N", "SMILES:OC[C@H]1O[C@@H](c2cc(Cc3ccc4c(c3)OCCO4)c(Cl)cc2O)[C@H](O)[C@@H](O)C1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRHAXCOPFBDPDS-IVAOSVALSA-N", "SMILES:COc1cc(O)c([C@@H]2O[C@H](CO)C(F)(F)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPRSLQSOVPNTKW-CLAROIROSA-N", "SMILES:COc1cc(O)c([C@@H]2O[C@H](CO)C(F)(F)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)CCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLPLGDXQJVIEY-IVAOSVALSA-N", "SMILES:COc1cc(O)c([C@@H]2O[C@H](CO)C(F)(F)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCUVOYYYEQWSEP-YDZRNGNQSA-N", "SMILES:COc1ccc(Cc2cc([C@@H]3O[C@H](CO)C(F)(F)[C@H](O)[C@H]3O)c(O)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEYGSKOWKIRJAU-YDZRNGNQSA-N", "SMILES:COc1cccc(Cc2cc([C@@H]3O[C@H](CO)C(F)(F)[C@H](O)[C@H]3O)c(O)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMWHFACSHHXJW-CDJZJNNCSA-N", "SMILES:C[C@]1(F)[C@H](O)[C@@H](O)[C@H](c2cc(Cc3ccc4c(c3)OCCO4)c(Cl)cc2O)O[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSGPXDNCYGGOCU-BMXMUORJSA-N", "SMILES:COc1cc(O)c([C@@H]2O[C@H](CO)[C@@](C)(F)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCUAIKEJANOBE-CDJZJNNCSA-N", "SMILES:C[C@]1(F)[C@H](O)[C@@H](O)[C@H](c2cc(Cc3cc4ccccc4s3)c(Cl)cc2O)O[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPRRNBELAZCQU-IVAOSVALSA-N", "SMILES:COc1cc(Cl)c(Cc2ccc3c(c2)OCCO3)cc1[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSASRWODVRTLFZ-OYTPZHDJSA-N", "SMILES:COc1cc(OC)c([C@@H]2O[C@H](CO)[C@@](C)(F)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUDLIXRHTBWUAX-OYTPZHDJSA-N", "SMILES:COc1cc(O)c([C@@H]2O[C@H](CO)[C@@](C)(F)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)CCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFHLFVDLPPVNL-SJSRKZJXSA-N", "SMILES:CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFFZKGTNZMSDJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2ccc3ncc(Cl)n3c2)c(Oc2nn3ccnc3c3ccsc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUGVRRRIPDZFA-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1ccc(C(F)(F)F)cc1Oc1nn(C)c(=O)c2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYBQDNNDFSLEQZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2cccnc2)c(Oc2ccc3nnc(Cl)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOPAGKWBFUICQT-UHFFFAOYSA-N", "SMILES:CC(C)(C)Oc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEETUGUPLYOJQZ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2ccccc12)N1Cc2ccccc2CC1COCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPNUPUSJBLPSH-UHFFFAOYSA-N", "SMILES:Cn1nc(Oc2cc(C(F)(F)F)ccc2-c2ccsc2Cl)c2sccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJKWGPXZUDHAH-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2cncnc2)c(Oc2ccc3nnc(Cl)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOPZACRLEPBXCZ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWBEKKHQWSDNN-VWLOTQADSA-N", "SMILES:CC(C)(C)Oc1ccc(OC[C@@H]2Cc3cc(F)ccc3CN2C(=O)c2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZEDUMZNXNTAEC-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTTGXIOPBRMOBF-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2ccccc12)N1Cc2ccccc2CC1CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGXXNZUSLVYECH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEDRGFOIEXSVEF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEBLUZPSFAFOC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(SC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPYPLJBEDYASE-UHFFFAOYSA-N", "SMILES:COCCNc1oc(-c2ccc(N(C)Cc3ccc(Cl)cc3)cc2)nc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQXFZKUCWRNIFI-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLAKCHSBOWDWHI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLQUSYMPIWKMH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPIKHGXRCDJEKT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBCDYGJGFXCRC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDDLOJUGCRYJHK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cc(Cl)cc(Cl)c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXTXHITDFJXSL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIOKCZWTHCEHH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFRCXQCDNRQTHG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2O)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGKPTXCWCUVUSI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cccc(O)c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWTOGDXGFLZURM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(O)cc2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZIMSFYWCFYPLQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cc(O)cc(O)c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUCVOBRKSFLIFS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc3ccc(O)cc3c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVPDVUZMKUWGBS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc3c(c2)CCCC3)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFJRKVFTFESKM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNFSYGVNGXMQOZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)cc1Cl)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSBVUSMUOBHLQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)c(Oc2ccccc2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCRWOVGKPJSDB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)c(Br)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFXCIMOHFBBHM-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2O)ccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSQYHLOFLGIOB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMDEKDHRBBQQS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)cc1O)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWSMDSNTADDDR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOIKIFRJYDRCS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1ccc(C(F)(F)F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEJXRODLMHJQCW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DISFEAHZBPETIJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(Oc3ccc4ccccc4c3Br)c(Cl)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILDNHGDMFHLNNS-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1C(=O)Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSMVJDVCDPFJNK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGAILSSVUFYIIG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1c(O)cccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUYAKPXYKQEFPD-SFDCQRBFSA-N", "SMILES:C=C1CCC[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4795353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHODXTMZSDNATP-SFDCQRBFSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC[C@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL86416", "category": ["biolink:ChemicalEntity"], "name": "COSTUNOLIDE", "xref": ["InChIKey:HRYLQFBHBWLLLL-AHNJNIBGSA-N", "SMILES:C=C1C(=O)O[C@@H]2/C=C(\\C)CC/C=C(\\C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4781244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEXNACQROZXEV-ILAZYQHXSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@H]3O[C@@]3(C)CC/C=C(\\C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4798966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCDDLXLSXWXKR-JRSNIIRSSA-N", "SMILES:CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](CN(C)CCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)[C@@H]2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPXDXMIOEOUODQ-LEUUJVKFSA-N", "SMILES:CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](CN(C)CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)[C@@H]2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMGOSMLSNXEOA-YQJDXJATSA-N", "SMILES:C/C1=C\\CC[C@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN(C)CCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)[C@@H]2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWPQCNJBCSDUMZ-WWPQYXCNSA-N", "SMILES:C/C1=C\\CC[C@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN(C)CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)[C@@H]2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIHJANRRMFJCC-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)c1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFFDQKDJNAYHP-WCKQITGRSA-N", "SMILES:CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](CN(C)CC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)[C@@H]2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIDNRYXXLLVQS-HKBDORMASA-N", "SMILES:C/C1=C\\CC[C@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN(C)CC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)[C@@H]2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQQGUYQSKWOPQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccccc56)cnc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNVGNVPUVGTLDX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccn4c(-c5csc6cncnc56)cnc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMZPAXBRSRGGU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccn4c(-c5csc6nccnc56)cnc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFRITSUHMXWME-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccn4c(-c5cccc6ncsc56)cnc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTYRAXABZFGFA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ncnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBYCHKTXZJEGU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccsc56)cnc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRUMMFYJQXQKPT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccc(F)cc56)cnc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTUHRWYCMKVLH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(C(F)(F)F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQVISSYKHDSNK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccc(F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFQZCTKEPHHJJW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVJTIOOSYJKPS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(F)cc(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDFCDPSKGACEZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGMGRCAUAZCHPG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBWYYYEDDAWLB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)cc(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPAYODHVLRPPC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C(C)C)CC5)cc4)ccn23)c2cc(F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGXWIIOEPKRLTN-BGYRXZFFSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4)ccn23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHGXIRHYJZNRC-GOSISDBHSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCN[C@H](C)C5)nc4)ccn23)c2cc(F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQNNSWBNZHANG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C(C)C)CC5)nc4)ccn23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLLLTIHRYTTMA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C6CC6)CC5)nc4)ccn23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCNEMABPLVLFJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(N5CC6(C5)CC(F)(F)C6)nc4)ccn23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPEFWZSKBRMPLL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4cnc(N5CCC6(CCCN6)C5)c(C)c4)ccn23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQEFQNWFVJXGDE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQSMGLCCQDFZHZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTPOMHEYRBEHT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)cc(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNHGBGBCHOYLN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(C5COCCN5)cc4)ccn23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGNKRPOVFPKJEN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(C5COCCN5)cc4)ccn23)c2cc(F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHWULLAJBAHXQY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cc(-c4ccc(C5COCCN5)cc4)ccn23)c2cc(F)cc(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVODRVUWACIZOR-INIZCTEOSA-N", "SMILES:N#CC1(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGIOAPDPCSXDKR-QHCPKHFHSA-N", "SMILES:N#CC1(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLRPZQZJBYNGY-QHCPKHFHSA-N", "SMILES:N#CC1(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFDASADTBFBMEF-HSZRJFAPSA-N", "SMILES:N#CC1(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc(-c3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCPKTDGXQOFGLL-KRWDZBQOSA-N", "SMILES:N#CC1(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNDJCXNKMIHRP-HXUWFJFHSA-N", "SMILES:CC(C)C[C@@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLOIWJYMAZZFLS-AWEZNQCLSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSACLAVWRMJGMI-AHWVRZQESA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1)C(=O)N[C@H](C#N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSNDUEHHIVEAHU-AHWVRZQESA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@H](C#N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFWUSGJMIIPDCH-ICSRJNTNSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@H](C#N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTCWCLVJZODNRF-ZDUSSCGKSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBTQNARVWHJHSP-FQEVSTJZSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSHAABXTMUFOM-FQEVSTJZSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CILQLDSHCGBKHD-FQEVSTJZSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRZHJAGVDPAPOG-AWEZNQCLSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNDJCXNKMIHRP-FQEVSTJZSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTPDDXPXUDORBX-AHWVRZQESA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C#N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOROYGUSPRVWST-ICSRJNTNSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C#N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZOGWOAYXMEGKY-QHCPKHFHSA-N", "SMILES:N#CC1(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFDASADTBFBMEF-QHCPKHFHSA-N", "SMILES:N#CC1(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc(-c3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAFSHCVEDOTORP-GOSISDBHSA-N", "SMILES:CCCCN(c1nc2c(C(=O)NC)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPIVUPDWJNXQY-LJQANCHMSA-N", "SMILES:CCCCN(c1nc2c(C(=O)N(C)C)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAYJJCMJRDALQD-HXUWFJFHSA-N", "SMILES:CCCCN(c1nc2c(C(=O)N(C)CC)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CARJCBIUHZDZKU-HXUWFJFHSA-N", "SMILES:CCCCN(c1nc2c(C(=O)N(C)CCO)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUWOECVTIEYFV-QGZVFWFLSA-N", "SMILES:CCCCN(c1nc2c(C(=O)O)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJTCGURFNSZSRO-GOSISDBHSA-N", "SMILES:CCCCN(c1nc2c(C(=O)NS(C)(=O)=O)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOWIJKAGUOXRI-GOSISDBHSA-N", "SMILES:CCCCN(c1nc2c(CO)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHAWBNNVOEALL-LJQANCHMSA-N", "SMILES:CCCCN(c1nc2c(C(C)(C)O)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYCSJCUKGHEGML-LJQANCHMSA-N", "SMILES:CCCCN(c1nc2c(COC)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMDPDNWAMXKRH-QGZVFWFLSA-N", "SMILES:CCCCN(c1nc2c(N)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYBMOBARKCIAG-GOSISDBHSA-N", "SMILES:CCCCN(c1nc2c(NC(C)=O)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNIRIQOETIFJRY-LJQANCHMSA-N", "SMILES:CCCCN(c1nc2c(NC(=O)N(C)C)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMDOZAYYAGUVGH-GOSISDBHSA-N", "SMILES:CCCCN(c1nc2c(NS(C)(=O)=O)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWMGDHUONKIMQA-OAQYLSRUSA-N", "SMILES:CCCCN(c1nc2c(-c3ccncc3)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYQHVMMXZIBVJV-OAQYLSRUSA-N", "SMILES:CCCCN(c1nc2c(-c3ccccn3)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAMZJCBSILJDLK-OAQYLSRUSA-N", "SMILES:CCCCN(c1nc2c(-c3cccn3C)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIGYMKJLVVJUKJ-HXUWFJFHSA-N", "SMILES:CCCCN(c1nc2c(-c3nccn3C)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSNSFXRZQJDPX-HXUWFJFHSA-N", "SMILES:CCCCN(c1nc2c(-n3cccn3)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQKICUWYWQKCJA-QGZVFWFLSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2cccc(F)c2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEAJVENVJDWQAA-QGZVFWFLSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2cccc(Cl)c2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTOAOWERMFQHX-QGZVFWFLSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2ccc(F)cc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTIWWFNPAJOFK-LJQANCHMSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2ccc(C)cc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVOQNRIAXUUSLS-GOSISDBHSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2ccc(OC)cc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPIYDJPMNUPKGQ-QGZVFWFLSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2cc(F)ccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTPGDOVFMZPMJ-QGZVFWFLSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2cc(C(F)(F)F)ccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLTZHWWIBNVHZ-QGZVFWFLSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2cc(Cl)ccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJPLRSFKLVMFKP-LJQANCHMSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2cc(C)ccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEHRIJJMNGRGDR-GOSISDBHSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2cc(OC)ccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOMGSUAGPLXJRM-QGZVFWFLSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2c(F)cccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXFGRUSUZSBUTP-QGZVFWFLSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2c(-c3nnn[nH]3)cccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTMGXPCNMGCNIB-LJQANCHMSA-N", "SMILES:CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2c(C)cccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYAECVBHZATOQ-MRXNPFEDSA-N", "SMILES:CCCCN(c1nc2c(C(=O)O)cccc2o1)[C@H](C)c1ccc(-c2cc(F)ccc2-c2nc(=O)o[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIYWEEYTBKCJPU-MRXNPFEDSA-N", "SMILES:CCCCN(c1nc2c(C(=O)O)cccc2o1)[C@H](C)c1ccc(-c2cc(Cl)ccc2-c2nc(=O)o[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMIYMSIZWIVNI-QGZVFWFLSA-N", "SMILES:Cc1ccc(-c2nc(=O)o[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc4c(C(=O)O)cccc4o3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLPZJHLKGCTMHI-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccc(-c2cc(F)ccc2-c2nc(=O)o[nH]2)cc1)N(CC1CC1)c1nc2c(C(=O)O)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZONPSCQEAGSTE-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccc(-c2cc(Cl)ccc2-c2nc(=O)o[nH]2)cc1)N(CC1CC1)c1nc2c(C(=O)O)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMHBNLILWZSAQ-MRXNPFEDSA-N", "SMILES:C[C@H](c1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1)N(CC1CC1)c1nc2c(C(=O)O)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDHUPUSLQWLENE-UHFFFAOYSA-N", "SMILES:CC[N+]1=C(/C=C/C2=C3Oc4cc(O)cc(OCCCCCCCC(=O)O)c4C=C3CCC2)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFHUZJGEMYJTRN-UHFFFAOYSA-N", "SMILES:CC[N+]1=C(/C=C/C2=C3Oc4cc(O)cc(OCCCCCCCC(=O)NO)c4C=C3CCC2)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSDFLCRTKYPDU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(c2ncccc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJHYLQXUUZDDX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(c2ccnc3cc(Cl)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BACCRCXTBPNBJP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(c2cc(C)nc3ncnn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSOQUFUCMKOKNK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1N1CCN(c2ncccc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYTXDDOAJJUMRU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2F)c1N1CCN(c2ncccc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMQTLJQVBDPQO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccc(F)c(F)c2)c1N1CCN(c2ncccc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWCLRXFOTVHIO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBEZZXJUIUMTMY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZKUMUZEDXLCU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYNDGMYKROEOAC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGIJNHMCIDHTNE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(c2cc(=O)[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXURKMFVLKODIN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Oc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLXACSJEOBWQK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMLBSDDBBYOQRD-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCCNS(=O)(=O)c3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQPASYBSJJRYGJ-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFQKNQRIZCAGR-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCCNc2nccc(-c3c(-c4cccc(N)c4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITBNOSFWBXKJN-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCCNS(=O)(=O)c3ccc(Cl)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKYDEUJTXKQRH-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCCTZWWESZMBRL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCNc2nccc(-c3c(-c4cccc(N)c4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTZILGHOFIERW-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCAYEBWQWXSLRM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCNc2nccc(-c3c(-c4cccc(N)c4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQCSNBCRNDWHV-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(Cl)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBDCJSFFKYVSGV-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCCNS(=O)(=O)c3ccc(Br)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVGARVGSBADEQD-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3cccc4ccccc34)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGHLJKAPQEROH-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPOLDVVIBJBLGV-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(Br)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVRFZKHXUHZGU-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCCNS(=O)(=O)c3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNAHSWWUGPECY-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCCNS(=O)(=O)c3cccc4ccccc34)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWEQZXCORSHBDW-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(OCCCN3CCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRFPHJAMBMALTM-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCCN(C)C3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOCBKOQITCNXIM-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCN(C)CC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHXFXDRASSGTN-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCNCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZAWYQBIFOVBNF-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3CCN(C)CC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLNJHNFZWAQLK-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCN(C)C3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZSNUOGALFUINV-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCN(C)CCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOHUZOVWSNNWQZ-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCNCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSGGTMURLDJJM-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCCNCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHHWLRJWBHPFE-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3CCCNCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQNPAOMUGDFRD-UHFFFAOYSA-N", "SMILES:CCN1CC=C(c2cc(Nc3nc(C)cc(NC)n3)ccc2OC)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCBEYUZBRDCJQ-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCN(C4CCC4)CCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENKINSOAMJQNC-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCN(CCO)CCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFOQRJHECLPWDG-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(Cl)c(C3=CCNCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKZQRANOVULPZ-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(C)c(C3=CCNCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFAYOSBAHOCOU-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(C#N)c(C3=CCNCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBQMWLGFSNAIR-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC(F)F)c(C3=CCNCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDLQOMTPZHHGF-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(Nc2ccc(OC(F)(F)F)c(C3=CCNCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSNYSFLZAWBIV-SFHVURJKSA-N", "SMILES:O=C(C[C@@H](C(F)F)n1ccc(F)n1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTGODXTULSTYNY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccccn2c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAVLEYZGIQRBDK-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccn2c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHEMRCRGZRRMCK-UHFFFAOYSA-N", "SMILES:CN(C)c1nc2ccccn2c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWWLRMGUGCQPX-UHFFFAOYSA-N", "SMILES:CNc1nc2ccccn2c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRMDZKEUJUSHL-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2ccccn2c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNCYUOVVWYBEPH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(N)nc3ccccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPHIZIMCUNGCX-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(C(F)(F)F)cn2c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSOHMVQJSKKKZ-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(C(F)(F)F)ccn2c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYEVIPXNKCCETQ-UHFFFAOYSA-N", "SMILES:Nc1nc2c(C(F)(F)F)cccn2c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUVJLAWWDUBRV-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(N)c(-c3ccc(O)cc3)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCQSAHJCJDIRZ-UHFFFAOYSA-N", "SMILES:Cc1ccn2c(-c3ccc(O)cc3)c(N)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPUGMMFDXGULNQ-UHFFFAOYSA-N", "SMILES:Cc1cccn2c(-c3ccc(O)cc3)c(N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLLUGWVQQIMUDR-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(C3CCNCC3)ccn2c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNLBGDGZDLURE-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCn2cc(COn3nnc4ccccc43)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJKNSPUHYZEKV-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCn2cc(COn3nnc4ccccc43)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUBKCPNHBIFUCZ-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCCn2cc(COn3nnc4ccccc43)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSRVPQHYNSLAG-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCn3cc(Cn4nnc5ccccc54)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVVUQRWNKUYSMI-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCn3cc(Cn4nnc5ccccc54)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRDPBSMBUFMDIX-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCCn3cc(Cn4nnc5ccccc54)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVNNBVPEXHOYDB-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCCCn3cc(Cn4nnc5ccccc54)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPATUSTLKKSTI-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCn2cc(Cn3nc4ccccc4n3)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIMANSQJKIIKR-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCn2cc(Cn3nc4ccccc4n3)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZXNZKLQPQCEU-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCCn2cc(Cn3nc4ccccc4n3)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAKFSEVDEIQZEF-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCCCn2cc(Cn3nc4ccccc4n3)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJJUVYESOLYLA-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCCCCn2cc(Cn3nc4ccccc4n3)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMRRYGVRWMAQQM-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCn3cc(COn4nnc5ccccc54)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORCXGBNTDCVQU-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCn3cc(COn4nnc5ccccc54)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLNRHUZFSNSAQV-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCn2cc(Cn3nnc4ccccc43)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXRNHMETNSBBP-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCn2cc(Cn3nnc4ccccc43)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCKUNDDSPHQOB-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCCn2cc(Cn3nnc4ccccc43)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKBXFGVVBYWPB-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCCCn2cc(Cn3nnc4ccccc43)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFDSZBGSOOODZ-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCCCCn2cc(Cn3nnc4ccccc43)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVYCVOJMARRQKL-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCn3cc(Cn4nc5ccccc5n4)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRSHLPOULYFBB-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCn3cc(Cn4nc5ccccc5n4)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGRLYYDJBPFAJ-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCCn3cc(Cn4nc5ccccc5n4)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOUQEWUXBVCKU-HDICACEKSA-N", "SMILES:O=C(Nc1ccon1)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNQHCYMHPVGGD-OYRHEFFESA-N", "SMILES:O=C(Nc1cnc2ccccn12)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZLWCZPNESZICM-BGYRXZFFSA-N", "SMILES:COc1ccncc1NC(=O)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYFQZAQGANNEFH-BGYRXZFFSA-N", "SMILES:O=C(Nc1cccnc1)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCPMJYMONJJJM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2[nH]ccc2c1)N1CC2CC1CN2Cc1cccc(Oc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXPMVAKIOBVHIE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)N1CC2CC1CN2Cc1cccc(Oc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMWGROBUBPBMFK-NBGIEHNGSA-N", "SMILES:O=C(Nc1ccc(-n2nccn2)nc1)N1C[C@@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARUQCKNGVHYZSN-NLFFAJNJSA-N", "SMILES:O=C(Nc1cnc2[nH]ccc2c1)N1CC[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAPQDWMPPPKKHD-HDICACEKSA-N", "SMILES:O=C(Nc1ncncc1Cl)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIOULGBVQTNPW-HDICACEKSA-N", "SMILES:O=C(Nc1ccc(Cl)nn1)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOWSCYFNGMCICJ-ZRZAMGCNSA-N", "SMILES:O=C(Nc1cncc2ccccc12)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWAHGJKKIDEAJ-IDISGSTGSA-N", "SMILES:O=C(Nc1cncc2ccccc12)N1C[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZWSZKPPCLCFI-NLFFAJNJSA-N", "SMILES:O=C(Nc1ccc(-n2nccn2)nc1)N1CC[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOUCUAYJEYWMLT-RTWAWAEBSA-N", "SMILES:O=C(Nc1noc2ccccc12)N1CC[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYYEHJSQDKWHF-RTWAWAEBSA-N", "SMILES:O=C(Nc1cccnc1)N1CC[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VULJMQFOVWXGLK-VXKWHMMOSA-N", "SMILES:O=C(Nc1ccc(-n2nccn2)nc1)N1C[C@@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDZBCOQVHZVNG-CALCHBBNSA-N", "SMILES:O=C(Nc1nocc1Cl)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQXDPMSQQFNMQB-IYBDPMFKSA-N", "SMILES:O=C(Nc1nn[nH]n1)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYTZQKJKFTHNV-KDURUIRLSA-N", "SMILES:O=C(Nc1cnccc1Cl)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPKEWQQYSQOHC-OYRHEFFESA-N", "SMILES:Cc1ccncc1NC(=O)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLRQQAXFPAQAO-FDDCHVKYSA-N", "SMILES:O=C(Nc1cccnc1)N1C[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGEJBYNDRXERDI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-n2nccn2)nc1)N1CC2CC1CN2Cc1cccc(Oc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOBTZUHQCVTKEO-NBGIEHNGSA-N", "SMILES:O=C(Nc1cnc2[nH]ccc2c1)N1C[C@@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWVVCDRSNYMSSZ-YADARESESA-N", "SMILES:O=C(Nc1cccnc1)N1C[C@@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUBMZFKKYJGGMF-DVECYGJZSA-N", "SMILES:O=C(Nc1noc2ccccc12)N1CC[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWPPTDUJSIQFQS-KDURUIRLSA-N", "SMILES:O=C(Nc1ccncn1)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKZPVERDGDPARF-KDURUIRLSA-N", "SMILES:O=C(Nc1cccnn1)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZLTXXPHAJNLBB-SBUREZEXSA-N", "SMILES:O=C(Nc1cnccc1Cl)N1C[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZOXHRVAAABDPK-MBSDFSHPSA-N", "SMILES:O=C(Nc1cccnc1)N1C[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUJVTFYYBRRLRY-DVECYGJZSA-N", "SMILES:O=C(Nc1cccnc1)N1CC[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRYDRXBZNCFHII-SFTDATJTSA-N", "SMILES:O=C(Nc1noc2ccccc12)N1C[C@@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLFZJRIMEDNTJO-SFTDATJTSA-N", "SMILES:O=C(Nc1cccnc1)N1C[C@@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXICLHYFGIBEN-BGYRXZFFSA-N", "SMILES:O=C(Nc1noc2ccccc12)N1C[C@H]2CN(Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCBPOOBJSFOZSY-ZRZAMGCNSA-N", "SMILES:CC(C)(C)c1ccc(Oc2cccc(CN3C[C@@H]4CN(C(=O)Nc5noc6ccccc56)C[C@@H]4C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWIBAPMMSCILA-BGYRXZFFSA-N", "SMILES:O=C(Nc1noc2ccccc12)N1C[C@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPAOHVCARYJGKU-OYRHEFFESA-N", "SMILES:COc1ccc(Oc2cccc(CN3C[C@@H]4CN(C(=O)Nc5noc6ccccc56)C[C@@H]4C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUURTKMGXWQWSI-SZPZYZBQSA-N", "SMILES:Cc1ccc(Oc2cccc(CN3C[C@@H]4CN(C(=O)Nc5noc6ccccc56)C[C@@H]4C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWMZSHCGKEXJR-OYRHEFFESA-N", "SMILES:O=C(Nc1noc2ccccc12)N1C[C@H]2CN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPRAUVNICBSVLO-BGYRXZFFSA-N", "SMILES:O=C(Nc1noc2ccccc12)N1C[C@H]2CN(Cc3ccc(Oc4ccc(Cl)cc4)cc3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIVLMAPHGTYEG-OYRHEFFESA-N", "SMILES:O=C(Nc1noc2ccccc12)N1C[C@H]2CN(Cc3ccc(Oc4ccccc4)cc3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMZJOUMOPSDKR-ZRZAMGCNSA-N", "SMILES:O=C(Nc1noc2ccccc12)N1C[C@H]2CN(Cc3cccc(-c4ccccc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVANIQETSJOMN-OYRHEFFESA-N", "SMILES:O=C(Nc1noc2ccccc12)N1C[C@H]2CN(Cc3ccc4ccccc4c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGRCDABSQKJPCO-YADHBBJMSA-N", "SMILES:O=C(Nc1ccc(-n2nccn2)nc1)N1CC[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJLIZRPXUITHRW-KDURUIRLSA-N", "SMILES:O=C(Nc1noc2ccccc12)N1C[C@H]2CN(Cc3cccc(Oc4cc(Cl)cc(Cl)c4)c3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCSAUWSAXOLMX-ZRZAMGCNSA-N", "SMILES:O=C(Nc1noc2ccccc12)N1C[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZKHPRPJSRBSJ-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCNC(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYPULXTSIJACL-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMCWQTCVEYTSOA-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHLKPKLRVMCCD-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCC(O)CC4)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STSNAAILYRCMMM-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTWODVINWUSDE-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCCC4)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHLKPKLRVMCCD-MEMLXQNLSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN([C@H]4CC[C@H](O)CC4)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQCPKKPBGMHHTH-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(N)=O)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSDWBGCADDERI-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(=O)N4CCOCC4)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOFQICOPGYEIO-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(c4cnn(C)c4)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDLFCVNJSFKBJ-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(c4nccs4)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHOFJAZKNCBLFT-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(c4cccnc4)C(=O)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVONZGPYHLVNED-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIMNAGXSCKUTCS-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(F)(F)F)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSRSARNZRWALCW-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(C)C)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYVLKHFSXHDXCU-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJOAMQSARNBSBT-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCCC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJARUZAINOAEN-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCCCC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGUWVXBRJWFJY-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCN(C)CC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFDGIQPFMWSBE-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCOCC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNZFQOBTSDBVJD-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCSCC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INRQTZVYJYFHGU-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCC(F)(F)CC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTBOBMIVJWFSN-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCC5(CC4)OCCO5)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVRGIASICSCQCP-UHFFFAOYSA-N", "SMILES:C=CCN1CCN(Cc2cc3nc(-n4c(CC)nc5ccccc54)nc(N4CCOCC4)c3s2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZWUUUJTTWAQMI-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCC(=O)CC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOUXTCQRVEPCL-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCC(N(C)C)CC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUSNTMLPKJUJQS-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCC(N5CCCC5)CC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVREHDZOIBYAG-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(N)=O)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQDSAPNRLACOM-KRWDZBQOSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(=O)[C@H](C)O)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHWHICLLQQYMK-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(C)=O)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBRQBMCIRRKONR-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(=O)C4CC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANCMOGTFZXBFZ-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(=O)C4CCC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKQBQYAOJNCKV-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(=O)C4CCCC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIYOXELSJYYGRU-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(=O)C4CCCCC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXSZPLOVQSXEQZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(Cc2cc3nc(-n4c(CC)nc5ccccc54)nc(N4CCOCC4)c3s2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCKTCYXCSTWPK-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(=O)OC(C)(C)C)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKZOVANURPBGN-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(S(C)(=O)=O)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLIGPLRORKGZBZ-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(S(=O)(=O)CC)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRTDILDQDKXNGW-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CCN(Cc2cc3nc(-n4c(CC)nc5ccccc54)nc(N4CCOCC4)c3s2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCYYLIQFFBFCAW-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(S(=O)(=O)C4CC4)CC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZLCSWCXKHCYFY-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(S(C)(=O)=O)CC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGXWBSFUIRFSOI-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(S(=O)(=O)C4CC4)CC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBGUUWASVGWWII-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCCC4)CC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188426", "category": ["biolink:ChemicalEntity"], "name": "GW807982X", "xref": ["InChIKey:FXUBIYKZSFWJQZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(-c3ccnc(Nc4cc(OC)cc(C(F)(F)F)c4)n3)cnn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCWNSGWBUAUOO-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccc3c(-c4cccc(Cl)c4)c[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468963", "category": ["biolink:ChemicalEntity"], "name": "GW779439X", "xref": ["InChIKey:ZOTNSCLLJKXGSD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4cnn5ncccc45)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDHFKBABHOAOCH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3occ(-c4cccc(Oc5ccccc5)c4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWAWOKKHZNRHGV-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3ccc(Cl)c(Cl)c31)C(C#N)C1(CCNCC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1349996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVLELSCIHASRV-NTUHNPAUSA-N", "SMILES:CCN1/C(=C\\C(C)=O)Sc2ccc(OC)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4754195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEAGNKNMQVIVMM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1995703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVDOKQYTTYUYDV-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMUQCVZSFXEOP-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cccc(Nc2nccc(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNNHQXMJJAMHAW-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cccc(Nc2nccc(-c3ccncc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZYVXCTSOTEMY-MRXNPFEDSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4ccccc4)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWNLXVWXDUUBOO-OAHLLOKOSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4ccncc4)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUAZFDGXKBQLBE-MRXNPFEDSA-N", "SMILES:COc1ccccc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAXAJSFBUZASFW-MRXNPFEDSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cccc(C#N)c4)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTWCINRTDMLFOF-GOSISDBHSA-N", "SMILES:CC(C)N1c2cc(Nc3cccc(-c4ccccc4)c3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRQZBFPENBFWRA-QGZVFWFLSA-N", "SMILES:CC(C)N1c2cc(Nc3cccc(-c4ccncc4)c3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFOZLDVEYPCLD-GOSISDBHSA-N", "SMILES:COc1ccccc1-c1cccc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJNGPOQKXGEZPY-GOSISDBHSA-N", "SMILES:CC(C)N1c2cc(Nc3cccc(-c4cccc(C#N)c4)c3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHPMXOZJWMMUBD-MRXNPFEDSA-N", "SMILES:COc1cccc(-c2ccnc(Nc3ccc4c(c3)N(C(C)C)[C@H](C)C(=O)N4C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFHEZJBBZREBT-MRXNPFEDSA-N", "SMILES:COc1ccc(-c2ccnc(Nc3ccc4c(c3)N(C(C)C)[C@H](C)C(=O)N4C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQUPYZLCNIEFH-QGZVFWFLSA-N", "SMILES:Cc1ccccc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPHBVMZIGZWADC-QGZVFWFLSA-N", "SMILES:Cc1cccc(-c2ccnc(Nc3ccc4c(c3)N(C(C)C)[C@H](C)C(=O)N4C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFNKAYYZNUUHS-QGZVFWFLSA-N", "SMILES:Cc1ccc(-c2ccnc(Nc3ccc4c(c3)N(C(C)C)[C@H](C)C(=O)N4C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHDEJKRZAHFEN-OAHLLOKOSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4ccccc4N)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVGGZYPSQXBUGB-OAHLLOKOSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cccc(N)c4)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDVIBCLRZDRAO-OAHLLOKOSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4ccc(N)cc4)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJLFHGRPLYWPTM-OAHLLOKOSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMKNXXQGTVBHR-MRXNPFEDSA-N", "SMILES:Cc1cc(F)ccc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKLUQBZRIEHKE-MRXNPFEDSA-N", "SMILES:CNc1cccc(-c2ccnc(Nc3ccc4c(c3)N(C(C)C)[C@H](C)C(=O)N4C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYAXBTTXPPKNTP-QGZVFWFLSA-N", "SMILES:CCNc1cccc(-c2ccnc(Nc3ccc4c(c3)N(C(C)C)[C@H](C)C(=O)N4C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQOCRSAANWGGR-GOSISDBHSA-N", "SMILES:CC(C)Nc1cccc(-c2ccnc(Nc3ccc4c(c3)N(C(C)C)[C@H](C)C(=O)N4C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXEMGSZLUNPCML-MRXNPFEDSA-N", "SMILES:Cc1c(N)cccc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSIQUBUVPVLDTN-MRXNPFEDSA-N", "SMILES:Cc1ccc(N)cc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMCDBYCMAWCMBJ-QGZVFWFLSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cccc5c4CCCN5)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYTZPPFZMDRCBK-MRXNPFEDSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4c[nH]c5ccccc45)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSQQXAMSPLGOU-MRXNPFEDSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cccc5[nH]ccc45)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKDDSUDMXFXCOU-MRXNPFEDSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cccc5nn(C)cc45)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URJQRGYKGNGARR-QGZVFWFLSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cccc5cnccc45)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBHYHXPBGOPAY-QGZVFWFLSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cccc5ncccc45)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRCWRYAORRNAN-QGZVFWFLSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4ccnc5ccccc45)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOSVLRBKPEZMQ-QGZVFWFLSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cncc5ccccc45)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSHYWXSNYXCER-MRXNPFEDSA-N", "SMILES:CC(C)N1c2cc(Nc3ncc(F)c(-c4cncc5ccccc45)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSORNHYQCJBFAK-MRXNPFEDSA-N", "SMILES:CC(C)N1c2cc(Nc3ncc(Cl)c(-c4cncc5ccccc45)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNUDRQQJNPPKD-GOSISDBHSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)nc1-c1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFTSACLJSZVBPB-HXUWFJFHSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cccc(Nc5ccccc5)c4)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMCZUPOUEWETFN-LJQANCHMSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cccc(NC5CCCC5)c4)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJNFKCOFFSCIZ-HXUWFJFHSA-N", "SMILES:CC(C)N1c2cc(Nc3nccc(-c4cccc(NC5CCCCC5)c4)n3)ccc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMZPZHKQYHIDFV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)O2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUSNDHHKQPKMJV-DAOKZDJMSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)O1)C2)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYDHHHKUANVSJV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVJYRVBWQQEGZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(F)c1F)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMISMYWGTNOQEP-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKPVBTRISIICIM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccon1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPYCPUCLLCUJB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncncn1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCFSKXKEPPLFS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(OC(F)(F)F)c1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEPKZGVXGFFMY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKZPPYKJJXXLRK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYEDJXUPHPGWNN-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIVPHBJPYPQMF-UHFFFAOYSA-N", "SMILES:CNc1nc(C)nc(N2CCC(NC(=O)NC34CC5CC(CC(C5)O3)C4)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDIAEDXUVLLKT-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)C2CCOCC2)CC1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RINJHOBNEDFGKS-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)c2cccnc2)CC1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRBWEIQGEPZGFI-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)c2ccccc2F)CC1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPRYFMGUUWEMW-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)O2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWDBAKSEQBXFS-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)C2CC2)CC1)NC12CC3CC(CC(C3)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFEVIYICHRNWKR-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)O2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIRZEGMCDMRKU-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N2CCC(NC(=O)NC34CC5CC(CC(C5)O3)C4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSLNKRJGRAEFHS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)O2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFNBSAYLVYVEV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C#N)c(C#N)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYASFKGUAVXXBK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C#N)c(C)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHRIAMDEODAMD-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(CC#N)cc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYVFHQRPSTOAE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLAKENCXDLFIA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKFQTGAZWPNXMC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc(O)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPYPVCZZKOQVEG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc(CO)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXMPXUSAZSMSAZ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cc(C)nc(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFDCRSOMDVOYKL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc(F)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTRFGLIOSOSMKH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc(Cl)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRMHXYGQIZPAEG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc(Br)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSOIMBGLCHQIY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)c(C#N)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCVFMKDWBUMNT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C#N)c(Br)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEIAGRQNNBXJJY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLDQOYLHWBLNHR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)c([N+](=O)[O-])c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIUWAZURQHXHA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc([N+](=O)[O-])c(Cl)c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQHLBAQOVRSHMA-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cc(C)nc(-c3ccccc3)n2)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCIXUNSMHDUYOL-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXAJNGNEEZUPQQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJUHACXCQMNQQH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc3c(c2)OCCO3)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJCWAKLWTQQVRL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc3c(c2)C(=O)NC3=O)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTBOWYUOVCMTB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc3ncccc3c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JABWTQGZBCXHAC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc3nccnc3c2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYDZMQKWHOANY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3ccc(C(F)(F)F)s3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261849", "category": ["biolink:ChemicalEntity"], "name": "GW632580X", "xref": ["InChIKey:MYQAUKPBNJWPIE-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227505", "category": ["biolink:ChemicalEntity"], "name": "SOTULETINIB", "xref": ["InChIKey:ADZBMFGQQWPHMJ-RHSMWYFYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1"], "synonym": ["Blz945", "Sotuletinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBUGEQMUYFTQS-IAGOWNOFSA-N", "SMILES:COc1cc(OCc2ccnc(NC(C)=O)c2)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKALCMOLVCFHL-DZGCQCFKSA-N", "SMILES:Nc1nccc(COc2ccc3nc(N[C@H]4CCCC[C@H]4O)sc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNPMQFOVMMEPF-HUUCEWRRSA-N", "SMILES:COc1cc(OCc2ccnc(N)c2)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKALCMOLVCFHL-UKRRQHHQSA-N", "SMILES:Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKUVLWIEWNEAC-RYUDHWBXSA-N", "SMILES:COc1cc(OCc2ccnc(N)n2)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKALCMOLVCFHL-ZFWWWQNUSA-N", "SMILES:Nc1nccc(COc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYFJGEOXSQLPMB-HOTGVXAUSA-N", "SMILES:COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPANAVQRQRUDJJ-KBPBESRZSA-N", "SMILES:COc1cc(OCc2ccnc(N)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYVWKYLUPYZGL-UHFFFAOYSA-N", "SMILES:Nc1nccc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQHOYXMLVDGGM-OALUTQOASA-N", "SMILES:COc1cc(OCc2ccnc(Nc3cccnc3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPANAVQRQRUDJJ-ZIAGYGMSSA-N", "SMILES:COc1cc(OCc2ccnc(N)n2)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRXJSWIYYPKVBL-UHFFFAOYSA-N", "SMILES:Clc1cnccc1COc1ccc2nc(NC3CCCCC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMOKWHHWDXEFZ-HOTGVXAUSA-N", "SMILES:COc1cc(OCc2ccnc(Nc3cn(C)nn3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCLDFJJIAZKCA-DGCLKSJQSA-N", "SMILES:Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BATXRTAHHWFDOX-UHFFFAOYSA-N", "SMILES:Nc1cc(COc2ccc3nc(NC4CCCCC4)sc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWDFDJNNVDHDN-IRXDYDNUSA-N", "SMILES:COc1cc(OCc2ccnc(Nc3cnoc3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCFHBDOJSLVRL-DGCLKSJQSA-N", "SMILES:Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRTXVTJXLRNOBY-UHFFFAOYSA-N", "SMILES:c1cc(NCc2ccc3nc(NC4CCCCC4)sc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZOSXHNHJNCJLH-HOTGVXAUSA-N", "SMILES:COc1cc(OCc2ccnc(Nc3cc[nH]n3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTRYEZRTYBBSHL-ZIAGYGMSSA-N", "SMILES:Nc1nccc(COc2cc(F)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHPGEYWBRUFZHZ-UHFFFAOYSA-N", "SMILES:c1cncc(NCc2ccc3nc(NC4CCCCC4)sc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKQKTLVTAWREHY-IRXDYDNUSA-N", "SMILES:COc1cc(OCc2ccnc(Nc3cn[nH]c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGCDJNFHYFXDK-ZIAGYGMSSA-N", "SMILES:Nc1nccc(COc2cc(Cl)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSAFAGSUKWPBR-UHFFFAOYSA-N", "SMILES:c1cc(OCc2ccc3nc(NC4CCCCC4)sc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPERHRGKPSPOEG-IRXDYDNUSA-N", "SMILES:COc1cc(OCc2ccnc(Nc3ccn(C)n3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAROEHNWLQYYAB-CHWSQXEVSA-N", "SMILES:Nc1nccc(COc2cc(OC(F)(F)F)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEQRGQCBRVRCN-UHFFFAOYSA-N", "SMILES:c1cncc(OCc2ccc3nc(NC4CCCCC4)sc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHWRSWKWURVPP-ROUUACIJSA-N", "SMILES:COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICVVUCQTSNJLU-ZIAGYGMSSA-N", "SMILES:COc1cc(OCc2ccnc(N)c2Cl)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLNGJNONVHTKN-UHFFFAOYSA-N", "SMILES:c1cc(COc2ccc3nc(NC4CCCCC4)sc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKSKMVMNCUHWCH-GJZGRUSLSA-N", "SMILES:CNC(=O)Nc1nccc(COc2cc(OC)c3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKALCMOLVCFHL-HIFRSBDPSA-N", "SMILES:Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@@H]4O)sc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDBSKIKQFDJCG-UHFFFAOYSA-N", "SMILES:c1cncc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1"]}
{"name": "Macrophage colony-stimulating factor 1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL5570"], "id": "UniProtKB:P09581", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNVYCWBZLPRJPH-DYYZXQNHSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFPSMPWJVBKVTN-AXKWSIDASA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OCCCCOP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJEJEZCTGDBUIC-DHSLYTQISA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OCCCCCOP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAAQNFPPAPNHIM-WTKPUWKFSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](C)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAAQNFPPAPNHIM-VJLWCUKXSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](C)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFFCLVWMYDQJDS-WTKPUWKFSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](C)COP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVXRDOQCOHYDO-MCNIBRDVSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](COC)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVXRDOQCOHYDO-NXDWNWMYSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COC)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXGWCJLRMNDPV-MCNIBRDVSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC)COP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVRPEHKCBAZPS-ZZKNSMQJSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](COCC)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYCQVPRMOKATB-MMHKTWFYSA-N", "SMILES:C#CCOC[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORCBKREEKTZJV-MMHKTWFYSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](COCCC)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLPCIRZHATVKCL-BDZCPYMJSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](COCc1ccccc1)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZXYRMGFBJERKK-DEOSSOPVSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCOC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQTXPXOHUNDIF-NLFFAJNJSA-N", "SMILES:C[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHGAJIYKOBUMEJ-NLFFAJNJSA-N", "SMILES:C[C@H](COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQYXUFPQFSGGD-FTJBHMTQSA-N", "SMILES:COC[C@H](COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWIBLZZVGUIXAU-SXOMAYOGSA-N", "SMILES:CCOC[C@H](COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYMSJJYTKTYTGI-QFIPXVFZSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)OCCOP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTHILFAMRXZBRN-DMDYGQEQSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@@H]1CCOC[C@@H]1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTHILFAMRXZBRN-SKBVVQJISA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@@H]1CCOC[C@H]1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEXYKVSENDFKC-DMDYGQEQSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@H]1COCC[C@H]1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEXYKVSENDFKC-AYRHNUGRSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@@H]1COCC[C@@H]1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEXYKVSENDFKC-SKBVVQJISA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@@H]1COCC[C@H]1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCHMYBHHDEEPP-YUQDSPFASA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OCCOP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFFCLVWMYDQJDS-VJLWCUKXSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@@H](C)COP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTHILFAMRXZBRN-AYRHNUGRSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@H]1CCOC[C@H]1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTHILFAMRXZBRN-RNXOBYDBSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@H]1CCOC[C@@H]1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEXYKVSENDFKC-RNXOBYDBSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@H]1COCC[C@@H]1OP(=O)(O)OC[C@H](N)C(=O)O"]}
{"name": "Probable G-protein coupled receptor 34", "xref": ["CHEMBL.TARGET:CHEMBL3562165"], "id": "UniProtKB:Q9UPC5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "G protein-coupled receptor 34a", "xref": ["CHEMBL.TARGET:CHEMBL4739839"], "id": "UniProtKB:B3DHD6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"name": "G protein-coupled receptor 34b", "xref": ["CHEMBL.TARGET:CHEMBL4739857"], "id": "UniProtKB:Q568G5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPLKSJDEOUBUEL-UHFFFAOYSA-N", "SMILES:COCCn1cnc2cc(NC(=O)c3ccccc3)cc(C(=O)NCc3cc(F)cc(F)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLFPUHBJIXSIY-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C(=O)N1CCc3c([nH]c4ccccc34)C1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLFPUHBJIXSIY-IBGZPJMESA-N", "SMILES:COc1cccc2c1C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLFPUHBJIXSIY-LJQANCHMSA-N", "SMILES:COc1cccc2c1C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYCMCVWWVNOOP-SFHVURJKSA-N", "SMILES:CN1c2cccc(O)c2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNMIZGXEPWFQCU-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)C1N(CC3)C(=O)c2c(OC)cccc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNMIZGXEPWFQCU-FQEVSTJZSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@@H]1N(CC3)C(=O)c2c(OC)cccc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAIVCGLKMKWII-FQEVSTJZSA-N", "SMILES:COc1cccc2c1C(=O)N1CCc3c([nH]c4cccc(OC)c34)[C@H]1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNSJOLRFUBTHZ-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SURFEUUSNHJGEN-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNOMOPIYTRRYGU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWDPZQOSZEAIC-UHFFFAOYSA-N", "SMILES:c1ccc(CCn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNWFOGZRCWFBR-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nccc3c4ccccc4n(Cc4ccc5ccccc5c4)c23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOXJYEAMCDIZJR-UHFFFAOYSA-N", "SMILES:c1ccc(COCCn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVAWGSQPHFXKU-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJIUHKYBPMWXEK-LJGSYFOKSA-N", "SMILES:Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c([C@H]4C[C@H](O)C4)c(Cl)c32)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHLAKLNFEZYKHL-UHFFFAOYSA-N", "SMILES:Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(N)C4)c(Cl)c32)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJIUHKYBPMWXEK-KNVOCYPGSA-N", "SMILES:Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c([C@H]4C[C@@H](O)C4)c(Cl)c32)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32", "category": ["biolink:ChemicalEntity"], "name": "MOXIFLOXACIN", "xref": ["InChIKey:FABPRXSRWADJSP-MEDUHNTESA-N", "SMILES:COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"], "synonym": ["Moxifloxacin", "Moxifloxacin", "Moxifloxacin", "Moxifloxacine", "Moxifloxacino", "Moxifloxacin", "Avelox iv", "Moxifloxacin", "Zimoxin", "Avelox", "Avelox i.v."], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2105637", "category": ["biolink:ChemicalEntity"], "name": "DELAFLOXACIN", "xref": ["InChIKey:DYDCPNMLZGFQTM-UHFFFAOYSA-N", "SMILES:Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F"], "synonym": ["Delafloxacin", "Delafloxacin", "Delafloxacine", "Delafloxacino", "Delafloxacin", "Delafloxacin", "ABT-492", "RX-3341", "WQ-3034", "Delafloxacin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4754795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBSOWGRBOSFQB-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nnnc1CNCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVEJLNXIGDQJLD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNCc2nnnn2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVQCGLXYULKBQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNCc2nnnn2C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZUIZVDNHKYDME-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(c2ccccc2)c2nnnn2C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRPKLZQNSPTYPM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(c2ccccc2)c2nnnn2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPHVPHXVCVEGM-UHFFFAOYSA-N", "SMILES:CCCCC(NCc1ccc(C(=O)NO)cc1)c1nnnn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORDCWUZRAKPLT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2nnnn2C2CCCCC2)C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWBPAULPSOGQI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N(Cc1ccc(C(=O)NO)cc1)Cc1nnnn1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLECCKPJQAXIMA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWJAMIITTHBSGF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(=O)N(Cc2ccc(C(=O)NO)cc2)Cc2nnnn2Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAERAGXWSGZVTO-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)N(Cc2ccc(C(=O)NO)cc2)Cc2nnnn2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWDNULKAXEKII-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJVYXMINSBMUHH-CALCHBBNSA-N", "SMILES:c1nc(N[C@H]2CC[C@@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJQMCQTSXRKNU-CALCHBBNSA-N", "SMILES:CC(=O)N1CCN([C@H]2CC[C@@H](Nc3ncnc4[nH]cc(C(C)C)c34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBRQRVXPUQKLG-HDICACEKSA-N", "SMILES:CC(=O)N1CCN([C@H]2CC[C@@H](Nc3ncnn4ccc(C(C)C)c34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVLXFMAKABZOPF-YVLRYLSESA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUODKONSNNHSAJ-AMLBMYBGSA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDYLBPIGVZFSF-UKMVIOKASA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)N(C)C7=O)C8=O)CC6)CC5)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNOOMHEHSHBTQ-HFXLYGLKSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(=O)N2CCN([C@H]3CC[C@@H](Nc4ncnn5ccc(C(C)C)c45)CC3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWAJRORGSSQFFP-KMXBHADPSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N2CCN([C@H]3CC[C@@H](Nc4ncnn5ccc(C(C)C)c45)CC3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWGGDOUIMBBCZ-HPEYPNPYSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N2CCN([C@H]3CC[C@@H](Nc4ncnn5ccc(C(C)C)c45)CC3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCABRYLZNBNEV-ZWEIZTMOSA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKOYXFKXWUQAMB-XRCHNQPISA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCUEMSDCKWDQY-MBSVEICTSA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCOCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GABSFUATYGLJFI-RKIHMSOOSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCNC(=O)CCC(=O)N2CCN([C@H]3CC[C@@H](Nc4ncnn5ccc(C(C)C)c45)CC3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFCPJXPVZMDESB-OVKKYJFHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCC(=O)N2CCN([C@H]3CC[C@@H](Nc4ncnn5ccc(C(C)C)c45)CC3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOIIHKYBYUQAR-SSBGEIKESA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)CCC(=O)N2CCN([C@H]3CC[C@@H](Nc4ncnn5ccc(C(C)C)c45)CC3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOXYAWWUOXXBT-QXJHHGFPSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)CCC(=O)N2CCN([C@H]3CC[C@@H](Nc4ncnn5ccc(C(C)C)c45)CC3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSUGWAIWCZKFS-SRCMZFQMSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCC(=O)N2CCN([C@H]3CC[C@@H](Nc4ncnn5ccc(C(C)C)c45)CC3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSWYNPXRVTAIR-ZWEIZTMOSA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)NCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NACJXPBPXDVAEF-XRCHNQPISA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)NCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNQTQJUJKYBPF-MBSVEICTSA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)NCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMSGNPTEGWHND-DANFTSOSSA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)NCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSXCVHZCXUIBB-ZWEIZTMOSA-N", "SMILES:CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)NCCCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INZGOHBCPALCGM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC3=CC(=O)c4ncncc4C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDAGYREFDCSMZ-UHFFFAOYSA-N", "SMILES:CC1=C(Nc2ccc(N3CCN(C)CC3)cc2)C(=O)c2cncnc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNNIIAKXPYANDN-JXFKEZNVSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1ccc(C(=O)NO)cc1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWCVKLVSWYIFO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cnc(NC2(c3ccccc3)CCC(F)(F)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCYFFNHQBGUMMF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(CCCO)C(=O)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPOCKHLJSRDPHY-UWJYYQICSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTRGFHYHEAEHGS-UHFFFAOYSA-N", "SMILES:NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESBEDAZDXKNGG-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDBSLDBGQHDGCM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(CCCCO)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLANEVLMFBLCBC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)cccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXGKBLDVRRGSFC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)c(C)cc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWUZESOEDTAJB-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)c(Cl)cc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVCOCMUQXCFJSS-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)c(F)cc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRMKQIKSJVXAG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cc(OC)c(OC)c(OC)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEVPYQQYQSLKCT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4ccc(Cl)c(OC)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDFGSSLWXUEGU-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4ccc(F)c(OC)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVEZRYJFNRCYTH-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4ccc(OC)cc4OC)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLAKVUAMXEARL-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4OC)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZGKYTGLZGKPLR-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cc(OC)cc(OC)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWXYXXOUYDQPD-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4ccc(N5CCOCC5)cc4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLNSMNBSRAECPC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(N5CCOCC5)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQPRGIWCUOVXDK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc([N+](=O)[O-])c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNEPDAYNLMCYDL-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4ccc([N+](=O)[O-])cc4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENGPNLCJVYLHA-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4ccc(C(F)(F)F)cc4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSCAVLRTLLBQEU-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4ccc(F)cc4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSPBEJVJQQFDPJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(C(F)(F)F)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPJAIZLIPTHNR-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(F)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDRCMWBXPSMBM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(C(N)=O)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWIXGSJDVYQHV-UHFFFAOYSA-N", "SMILES:CCc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4ccc(OC)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRUOJPVQGCHYCR-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(C)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZZJTYUPBTEOF-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWAPYBHOXQDHJT-UHFFFAOYSA-N", "SMILES:CCOc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4ccc(OC)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYZLUSSCXKLRE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC(F)F)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIJNEZPUZWGEAF-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4ccccc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVKQWUWGFLNEG-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUNKYDAGIBEQS-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYMTMDKJWTZNQ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4cccc(OC)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRWPFKFGMBRED-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1ccc([N+](=O)[O-])c2[nH]c(C(=O)NS(=O)(=O)c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYLPBVMTULYQE-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4ccccc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFPPCYYANZJIKW-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4ccccc4F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKYMPUIVZASMOX-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4ccc5ccccc5c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRZCHTBWVPXHAY-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4cccc(F)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTSWWOKIVHIIEZ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4ccc(F)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSTUWLFLBIBVEB-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPSFWVQBKYDPA-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)C4CC4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMKSOWCKJNATG-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(=O)(=O)c4cccs4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDLTYRWKPOINW-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)cc(F)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSOXWMKLYCMRNM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)cc(Cl)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDEBEZNXWXOBIN-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)cc(C)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRFWOIATIYMIE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(F)c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRIAJCBHNUZGKE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIRTBFZRWJZLI-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(C#N)c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMKZKNLIFMUCO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(C(F)(F)F)c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495498", "category": ["biolink:ChemicalEntity"], "name": "MB-05032", "xref": ["InChIKey:XJMYIJPPDSZOPN-UHFFFAOYSA-N", "SMILES:CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1"], "synonym": ["Mb-05032", "MB05032"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVPIOZIRJPDROX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc([N+](=O)[O-])c3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXMOTPQQHMNML-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)NS(=O)(=O)c2ccc(OC)cc2)cc2c(Nc3cccc(OC)c3)ccc([N+](=O)[O-])c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQQTUCAECNOGD-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc([N+](=O)[O-])c3n2CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZSRUVMKKUGGGF-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(C)c4)ccc([N+](=O)[O-])c3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZZUDGXMUSGVAJ-UHFFFAOYSA-N", "SMILES:CCOc1cccc(Nc2ccc([N+](=O)[O-])c3c2cc(C(=O)NS(=O)(=O)c2ccc(OC)cc2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDLALTLUKXFIGH-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(NC(C)=O)c4)ccc([N+](=O)[O-])c3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVCSOPKMHHDNRM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cc(OC)cc(OC)c4)ccc([N+](=O)[O-])c3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGXWLMJMYUPRQ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cc(OC)c(OC)c(OC)c4)ccc([N+](=O)[O-])c3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSAYKDSMNRXECS-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4ccc(Cl)c(OC)c4)ccc([N+](=O)[O-])c3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTFDHLZWLAAGC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Oc4cccc(OC)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBGLONMMPIKIO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Sc4cccc(OC)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYCJHZRQQOLSO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(NCc4cccc(OC)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYTXTKWKYUUHG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(NC(=O)c4ccccc4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWNQINGOBNQQBZ-UHFFFAOYSA-N", "SMILES:CCCNc1ccc([N+](=O)[O-])c2[nH]c(C(=O)NS(=O)(=O)c3ccc(OC)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELZERQMTVCYKN-UHFFFAOYSA-N", "SMILES:COCCNc1ccc([N+](=O)[O-])c2[nH]c(C(=O)NS(=O)(=O)c3ccc(OC)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMLRADKIRRWRL-UHFFFAOYSA-N", "SMILES:COCCCNc1ccc([N+](=O)[O-])c2[nH]c(C(=O)NS(=O)(=O)c3ccc(OC)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEEYNLWJZKQICO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(NC4CCCCC4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYVKBIYMFUAQFL-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccccc1)c1cc2c(N3CCOCC3)ccc([N+](=O)[O-])c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAICUBOKJDZAFE-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccccc1)c1cc2c(Cl)ccc([N+](=O)[O-])c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHVWVLILUTLQN-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMYXZKJVVCHPA-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMYXHIYITYBJHT-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccc(OC)c2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUQIFHRGQKHDL-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2F)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHPAFAKAJGFWEG-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccc(F)c2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNXQGJQSNYLCNH-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc(F)cc2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZDMQFYOHTNCE-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccc(Br)c2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZLUCDJLRRAWHQ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc(C)cc2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMFJWTUVJSRWOW-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLIDBZDBZSXAV-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccc(OC(F)(F)F)c2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJDIOIKUPMBNJ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZHJZBBIMVLIEA-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZDASRRNPYIQH-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccc(CC(C)C)c2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCIKLQXUVVLQPL-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccnc2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFHITYZBFXRPP-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc(CC(C)C)s2)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGHRMVGWPNOAIL-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc4c(c2)CCN4C)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIYTNCMMBKAEV-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc4c(c2)CCCN4C)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYEUDPURWIIRKW-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccc4c(c2)N(C)CCC4)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NURRPGLOINFSTO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Cl)ccc(Nc4cccc(OC)c4)c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMOBQUDXHRJDQW-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2nc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJFPHCYEGWSQQ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAKHFOPCGSSCQD-UHFFFAOYSA-M", "SMILES:COc1ccc(S(=O)(=O)[N-]C(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTYQEMVKHWGFNG-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)NS(C)(=O)=O)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZPJNRZFFJDVFJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(N(C)c4cccc(OC)c4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNNSWEPZDDQQIH-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(C(=O)c4ccccc4)ccc([N+](=O)[O-])c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJYCXDYMTYLQZ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Cl)ccc(Nc4cccc(OC)c4)c3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQFMQCXGUUIUAO-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXZHFCBNFFHRC-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1cc(Cl)ccc1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL595149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHXEPNJEQXSSS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256723", "category": ["biolink:ChemicalEntity"], "name": "DOXYCYCLINE HYDROCHLORIDE", "xref": ["InChIKey:RUYHIJHUVHIMIR-CVHRZJFOSA-N", "SMILES:C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl"], "synonym": ["Doxycycline hydrochloride", "Doxycycline hcl", "Doxycycline hydrochloride", "NSC-756751"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4227475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCQNBXHUMKLFW-HNQRYHMESA-N", "SMILES:CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSWCLIWZYBHCV-UHFFFAOYSA-N", "SMILES:Cl.NC(N)=NCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWJXVNMIVDKXDQ-UHFFFAOYSA-N", "SMILES:NC(N)=NCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWZETFXOQNJHU-UHFFFAOYSA-N", "SMILES:NC(N)=NCCCOc1ccc(C(=O)N2c3ccccc3Oc3ccccc32)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACSPZUQGDMPGQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(C(=O)Nc2ccccc2Oc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPIHYAVBZFQJFZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLRJXUBOWTNGF-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ccccc1NC(=O)c1ccc(OCCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVZBDHYSUJWKQP-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(C(=O)N2c3ccccc3Oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCEJIQKGPVAIRP-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRYGXQLDCNCCK-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(C(=O)N2c3ccccc3C=Cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRNJJUMVMBKFV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCN2CCCC2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYMFBHODYQGKBI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCN2CCCC2)cc1)N1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZVQNVRMIBECZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCN2CCCC2)cc1)N1c2ccccc2C=Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPNLDLTZZROBBF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCN2CCOCC2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEFRFUXSHOSQX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCN2CCOCC2)cc1)N1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVICFZBPVOIFKB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCN2CCOCC2)cc1)N1c2ccccc2C=Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHWSRFMBLFDXDY-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)Oc4ccc(C(C)(C)c5ccc(OC(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)cc5)cc4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPGUKZZIIPCEZ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)c4cccc(NC(=O)OCCOCCOCCOC(=O)Nc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNPLAKEGAEPJD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)[nH]c3c2)CC1.Cl.Cl.Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFMIAUVGADIRH-UHFFFAOYSA-N", "SMILES:Cn1c(-c2csc(NN=C3CCCC3)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGBNSBKSWFTLF-UHFFFAOYSA-N", "SMILES:Cn1c(-c2csc(NN=C3CCCCC3)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXPIUSTVFUHOKN-ODLFYWEKSA-N", "SMILES:Cn1c(-c2csc(N/N=C\\c3ccccc3)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIMPDQTXURIJRK-JAIQZWGSSA-N", "SMILES:Cc1ccc(/C=N\\Nc2nc(-c3nc4ccccc4n3C)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQPWLHAZVCLRH-JAIQZWGSSA-N", "SMILES:COc1ccc(/C=N\\Nc2nc(-c3nc4ccccc4n3C)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTZVPJSLUGONA-NHDPSOOVSA-N", "SMILES:COc1ccc(/C=N\\Nc2nc(-c3nc4ccccc4n3C)cs2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNOHKBMRLLDPB-JJFYIABZSA-N", "SMILES:COc1cc(/C=N\\Nc2nc(-c3nc4ccccc4n3C)cs2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTLAXCJVSMSCW-GRSHGNNSSA-N", "SMILES:Cn1c(-c2csc(N/N=C\\c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQCGHRKXVPKEM-MTJSOVHGSA-N", "SMILES:CN(C)c1ccc(/C=N\\Nc2nc(-c3nc4ccccc4n3C)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASWDOIVFAHYTSP-JMIUGGIZSA-N", "SMILES:Cn1c(-c2csc(N/N=C\\c3ccc(F)cc3)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCGMXXOJFRERB-JMIUGGIZSA-N", "SMILES:Cn1c(-c2csc(N/N=C\\c3ccc(Br)cc3)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNURZMDRUOYKZ-NKVSQWTQSA-N", "SMILES:Cn1c(-c2csc(N/N=C\\c3ccc(Cl)cc3Cl)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQPDTOYDAUEUTI-NVMNQCDNSA-N", "SMILES:Cc1ccc(/C=N\\Nc2nc(-c3nc4ccccc4n3C)cs2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYGHOKICNXHRRH-IUXPMGMMSA-N", "SMILES:Cn1c(-c2csc(N/N=C\\c3ccc([N+](=O)[O-])o3)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXINAGXJFWRXSX-MFOYZWKCSA-N", "SMILES:Cn1c(-c2csc(N/N=C\\c3cccs3)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWHGGBMKXPHFW-NVMNQCDNSA-N", "SMILES:Cn1c(-c2csc(N/N=C\\C3CCCN3)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLFNOHCXONCVST-GRSHGNNSSA-N", "SMILES:Cn1c(-c2csc(N/N=C\\c3ccncc3)n2)nc2ccccc21"]}
{"name": "Arginase-1", "xref": ["CHEMBL.TARGET:CHEMBL3232699"], "id": "UniProtKB:P07824", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJHLDXXJHAZTN-BYPYZUCNSA-N", "SMILES:N[C@@H](CSCCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQYICQFLEQDQHO-VQVTYTSYSA-N", "SMILES:N[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJZMDPTUCXSJF-VQVTYTSYSA-N", "SMILES:O=C(O)[C@H]1NC[C@H](O)[C@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEFMMVKSJWCZHH-SVRRBLITSA-N", "SMILES:NC[C@@]1(CCCB(O)O)CN[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHQWTXRBVVLSOY-VXNVDRBHSA-N", "SMILES:N[C@H]1CN[C@@](CCCCB(O)O)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIDHAHGIJCPSV-PSASIEDQSA-N", "SMILES:CN[C@H]1CN[C@@](CCCCB(O)O)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRWJWDCTLGBFK-JVWRJRKNSA-N", "SMILES:C[C@H](N)C(=O)N1C[C@@H]2C[C@@](N)(C(=O)O)[C@@H](CCCB(O)O)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MECTVUDXWFGQGG-AWYNBESOSA-N", "SMILES:CC(C)[C@H](N)C(=O)N1C[C@@H]2C[C@@](N)(C(=O)O)[C@@H](CCCB(O)O)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKJXVBQGFLJSJ-VOAKCMCISA-N", "SMILES:N[C@H](C(=O)N[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRPJHGHAWGLAFB-RHYQMDGZSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMIQJHHIHJHTTL-VPOLOUISSA-N", "SMILES:CC(C)(C)[C@H](N)C(=O)N[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDCIXKDANGFSB-UHIISALHSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@H]1CN[C@@](CCCCB(O)O)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEJCPQUNZRIXOZ-GPCCPHFNSA-N", "SMILES:CC(C)(O)[C@H](N)C(=O)N[C@H]1CN[C@@](CCCCB(O)O)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUQQQEORFARHNR-UHFFFAOYSA-N", "SMILES:NC(CCCCB(O)O)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLSSIRGZOSRNR-UHFFFAOYSA-N", "SMILES:NC(CCCCB(O)O)(CCCNCCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPENKSHEALUCNG-WPRPVWTQSA-N", "SMILES:NCCNS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYMHZFKFRETBF-MFLJAEDOSA-N", "SMILES:N[C@@]1(C(=O)O)C[C@H]2CN(C(CO)CCl)C[C@H]2[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFKCUJGGILAAIM-KXTOZSSYSA-N", "SMILES:CN[C@@H]1C[C@@H]2C[C@@](N)(C(=O)O)[C@@H](CCCB(O)O)[C@@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCPNUVNKVZTRE-DLOVCJGASA-N", "SMILES:N[C@@]1(C(=O)O)C[C@]2(CCCN2)C[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYSFTUYKKSABZ-KCQAQPDRSA-N", "SMILES:N[C@]1(C(=O)O)C[C@H](CCB(O)O)CC[C@H]1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXVDGSZGWOBCN-UHFFFAOYSA-N", "SMILES:CC1(O)CCC(CCB(O)O)CC1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218271", "category": ["biolink:ChemicalEntity"], "name": "NUMIDARGISTAT", "xref": ["InChIKey:ZZJLMZYUGLJBSO-LAEOZQHASA-N", "SMILES:C[C@H](N)C(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1"], "synonym": ["Numidargistat", "Arginase inhibitor incb001158", "Incb 001158", "Incb001158", "Numidargistat", "CB-1158", "INCB-001158", "INCB001158", "Numidargistat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNMIXAVOLTFGT-PHGLEFOZSA-N", "SMILES:C[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWSJMIMCTVGPJ-DKCNOQQISA-N", "SMILES:C[C@@H]1N(C(=O)CN)C[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPVCOHXXPKIMZ-PCVQNBPASA-N", "SMILES:C[C@@H]1N(C(=O)[C@@H](N)Cc2c[nH]cn2)C[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFISSNVDUYLGFP-SJCJKPOMSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccccc2Cl)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RECZYEAPUDJHSN-SJCJKPOMSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2cccc(Cl)c2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHGWXHTXGWRMC-GTNSWQLSSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSWIZLOITRVEQQ-GTNSWQLSSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccc(Cl)cc2Cl)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJWLMNOFYFIMBK-GTNSWQLSSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2cc(Cl)ccc2Cl)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URTQQQNZCUNYLQ-GTNSWQLSSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2c(Cl)cccc2Cl)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIZLMERUUJKERQ-SJCJKPOMSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2cccc([N+](=O)[O-])c2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHCYRIYJINYZME-SJCJKPOMSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQHWSNCUIISZEL-DJJJIMSYSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQCXFGJPUHPSH-NHYWBVRUSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccco2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPNMUTMWRVSFOY-NHYWBVRUSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccoc2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYSCSCXWHEVPJ-SJCJKPOMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)c1cccc(-c2ccccc2Cl)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQRHDXBQRLWQI-SJCJKPOMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)c1cccc(-c2cccc(Cl)c2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJTLZHXXEVDWAW-GTNSWQLSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)c1cccc(-c2cc(Cl)ccc2Cl)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEJSFBBXNIJNSF-NHYWBVRUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)c1cccc(-c2ccco2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARYRCRYUYLUMU-DJJJIMSYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQRUQNNUDRVGDT-KRWDZBQOSA-N", "SMILES:CCCC[C@H](NS(=O)(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZTYSNNNVEITP-QGZVFWFLSA-N", "SMILES:CC(C)C[C@@H](NS(=O)(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQHWSNCUIISZEL-BFUOFWGJSA-N", "SMILES:CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDZXRKVXGBZSNV-QGZVFWFLSA-N", "SMILES:CC(C)C[C@@H](NC(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARYRCRYUYLUMU-BFUOFWGJSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFISSNVDUYLGFP-SJKOYZFVSA-N", "SMILES:CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(-c2ccccc2Cl)c1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYXHYCDEPEXKY-MHZLTWQESA-N", "SMILES:CCCN(CCN1CCN(c2ccc(-c3ccc(O)c(O)c3)cc2)CC1)[C@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXNQKRXZZPFHF-QHCPKHFHSA-N", "SMILES:CCCN(CCN1CCN(c2ccc(-c3ccc(O)c(O)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTVAEKITDXKSL-YRNVUSSQSA-N", "SMILES:O=C(O)CCO/N=C/c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSRKAGFFGBCIQ-YRNVUSSQSA-N", "SMILES:O=C(O)CCO/N=C/c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWWIOUDUCKNDSJ-YRNVUSSQSA-N", "SMILES:O=C(O)CCO/N=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPPGEQCITQLSNE-WLRTZDKTSA-N", "SMILES:O=C(O)CCO/N=C/c1cc(Br)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVXFQIMLXQMSOG-IZZDOVSWSA-N", "SMILES:O=C(O)CCO/N=C/c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTAXRUBKQRRNCG-IZZDOVSWSA-N", "SMILES:O=C(O)CCO/N=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFAIXKQBPOGSQR-IZZDOVSWSA-N", "SMILES:O=C(O)CCO/N=C/c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFOXFTVQNCHKJJ-BJMVGYQFSA-N", "SMILES:O=C(O)CO/N=C/c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAKLIWEKUURSX-BJMVGYQFSA-N", "SMILES:O=C(O)CO/N=C/c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGFWNZCIUXTLQQ-BJMVGYQFSA-N", "SMILES:O=C(O)CO/N=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBZUBQYNKGCBR-KGVSQERTSA-N", "SMILES:O=C(O)CO/N=C/c1cc(Br)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDZQLVWOKBYPO-LFYBBSHMSA-N", "SMILES:O=C(O)CO/N=C/c1ccccc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPIHCNONPKQMN-LFYBBSHMSA-N", "SMILES:O=C(O)CO/N=C/c1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHARRUAAOCHOH-LFYBBSHMSA-N", "SMILES:O=C(O)CO/N=C/c1ccc(OCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCLGHHANBVDDPA-LZWSPWQCSA-N", "SMILES:O=C(O)CO/N=C/c1cc(Br)cc(Br)c1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHQSXWPNRIHHQ-VLNZCUNHSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N[C@H]1Cc2ccc(cc2)OC/C=C/C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWQWFRRNQORQB-VLNZCUNHSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N[C@H]1C/C=C/COc2ccc(cc2)C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJRMTVNRNELFC-NVQCJKSSSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N[C@H]1Cc2ccc(cc2)OC/C=C/C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBMEINJYQSSEZ-DZRDLZCRSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1C/C=C/COc2ccc(cc2)C[C@H](NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBJGVUOQBNPVKY-PXOGPFJFSA-N", "SMILES:O=C(O)C[C@H](NC(=O)[C@@H]1C/C=C/COc2ccc(cc2)C[C@H](NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230156", "category": ["biolink:ChemicalEntity"], "name": "(2-NITROVINYL)BENZENE", "xref": ["InChIKey:PIAOLBVUVDXHHL-VOTSOKGWSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRFSQVFSQAYHRU-AATRIKPKSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJATYFHELDGEA-AATRIKPKSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPNBERPFLONRX-VOTSOKGWSA-N", "SMILES:Cc1ccc(/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKQUXSHVQGBODD-VOTSOKGWSA-N", "SMILES:COc1ccc(/C=C/[N+](=O)[O-])cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4778310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMSZTOUHOKERPN-VOTSOKGWSA-N", "SMILES:CSc1ccc(/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CATQYSSYYQMLHV-AATRIKPKSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTJKRKMPTRJAIT-AATRIKPKSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4796226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFQGFOJCOPZGPB-AATRIKPKSA-N", "SMILES:O=C(O)c1ccc(/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABXLWPUIWFTNM-AATRIKPKSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCAGGXBTUHLPN-AATRIKPKSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccc(-n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXQRAWTWDNHGBS-SNAWJCMRSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYVODQGPSIUNS-AATRIKPKSA-N", "SMILES:Cc1cccc(/C=C/[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBGIPFDIABTKB-AATRIKPKSA-N", "SMILES:COc1cccc(/C=C/[N+](=O)[O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2409304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOKALPUCIXWJLV-SNAWJCMRSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHTXBJQMDPODIB-SNAWJCMRSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKIXJPRNNYPLG-SNAWJCMRSA-N", "SMILES:O=C(O)c1cccc(/C=C/[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOEGXQQUPVDQEE-SNAWJCMRSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJHTQWXSZMZNZ-SNAWJCMRSA-N", "SMILES:N#Cc1cccc(/C=C/[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNOSAIZTNCKEMZ-YDFGWWAZSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(/C=C/[N+](=O)[O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3188060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGSVFWFSJDAYBM-BQYQJAHWSA-N", "SMILES:C/C(=C\\c1ccccc1)[N+](=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4787540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUYFLWCRFTXHIO-SOFGYWHQSA-N", "SMILES:C/C(=C\\c1ccc(C#N)cc1)[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKDNDVDHYMEGNJ-SOFGYWHQSA-N", "SMILES:O=[N+]([O-])/C(Br)=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOIOXRQQPRNCO-SOFGYWHQSA-N", "SMILES:O=[N+]([O-])/C(Cl)=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCOZABCBGIMAQT-WEVVVXLNSA-N", "SMILES:N#Cc1cccc(/C=C(\\Br)[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPODDMFRUYIFB-WEVVVXLNSA-N", "SMILES:N#Cc1ccc(/C=C(\\Br)[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHFMOAJRJNUGW-VMPITWQZSA-N", "SMILES:O=[N+]([O-])/C(Br)=C/c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGNGFUMBDFSICF-VMPITWQZSA-N", "SMILES:O=[N+]([O-])/C(Br)=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIQSGUMIOQFYRG-VMPITWQZSA-N", "SMILES:O=[N+]([O-])/C(Cl)=C/c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHJZCMCYOIOWOI-VMPITWQZSA-N", "SMILES:O=[N+]([O-])/C(Cl)=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILJRMCLOERBJRW-WEVVVXLNSA-N", "SMILES:N#Cc1cccc(/C=C(\\Cl)[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANJWHGFCTYOCN-WEVVVXLNSA-N", "SMILES:N#Cc1ccc(/C=C(\\Cl)[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIDCHUYSPMETFP-VMPITWQZSA-N", "SMILES:O=[N+]([O-])/C(Cl)=C/c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKSKDUKJHYERJ-VMPITWQZSA-N", "SMILES:O=[N+]([O-])/C(Cl)=C/c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIOCOIJZTUXKM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLCFXDSSPUCCKP-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCOc2ccc(NC(C)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKOWTJXSWSPFS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVTNBOZUNDIPJR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYZODAGADSAAG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCCCN2CCN(c3nsc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVBVTNJBYSDME-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCCCN2CCN(c3cccc4ccsc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTPNIBCXONRKH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYAKNGCDOJWIC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBZGVUMIUDAHE-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZEMWSBQZKHSLT-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)c1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFKQPVOFBQHAZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFLRMSKSIAMJZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCC(O)CN2CCC(c3noc4cc(F)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKHUSATVXGVFH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNLMPLRMBJLPIG-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSFNQGLVXQNCV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1565145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUGOEFZYGQTHG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)cc1OC"], "synonym": ["NSC-368252"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDIURRMJOIJGSL-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2ccccn2)c2ccc(Cl)cc2)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1316752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTSGAWUGIJIMV-UHFFFAOYSA-N", "SMILES:COc1cc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1360494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CURGVCDXVHAOOH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C(c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1"], "synonym": ["NSC-381577"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1434181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEIGUUUOWFEKX-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)N1CCOCC1)OCO2"], "synonym": ["NSC-368248"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1476047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFFOLXUPFKVRIT-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)c1O"], "synonym": ["NSC-368256"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1554780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADCFXRBORYSKP-UHFFFAOYSA-N", "SMILES:COc1cc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1319324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAHGBOHCJFKVGS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)cc1"], "synonym": ["NSC-364724"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1485589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSQQCASHAULUEU-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(c1cc2c(cc1O)OCO2)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1369923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYDMWFVIVJDTC-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc(Cl)cc1)N1CCOCC1)OCO2"], "synonym": ["NSC-368275"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKWHYLQFCQSFJ-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc(F)cc1)N1CCOCC1)OCO2"], "synonym": ["NSC-368277"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1360077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTWUKTVOOCFFCZ-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C(c1cc2c(cc1O)OCO2)N1CCOCC1"], "synonym": ["NSC-667921"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1604428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAFIHXRSKJQPF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1570211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFTVDRTEGBGAK-UHFFFAOYSA-N", "SMILES:COc1cc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1490147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUBMVYKZKUFMX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)cc1"], "synonym": ["NSC-368274"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWOZRLGQTHWMKK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1552689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQXLOJQVMOCHF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1433812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABRLAIPVWNRBF-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)N1CCCCC1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMCLEFJCNNJAEA-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc(F)cc1)N1CCCCC1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXJDIUUZKZIAO-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(c2cc3c(cc2O)OCO3)N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIIGPJRXGNGZQA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1450405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUODYFDDFYVYBP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCCC2)cc1"], "synonym": ["NSC-370281"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKZKDGNTBFQFRY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(c2cc3c(cc2O)OCO3)N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1603774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLLNFZUAVSJIDB-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2cc3c(cc2O)OCO3)N2CCCC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1314575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNMYFVUPBJXHE-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc(F)cc1)N1CCCC1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVESCVKOTAWAFE-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)N1CCCC1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1557864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXGNLZKUHBIHD-UHFFFAOYSA-N", "SMILES:COc1cc(C(c2cc3c(cc2O)OCO3)N2CCCC2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVDBBDLFUXCNEI-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(Nc1ccccn1)c1ccc3c(c1)OCO3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDNTCANBLLREE-UHFFFAOYSA-N", "SMILES:COc1cc(C(Nc2ccccn2)c2cc3c(cc2O)OCO3)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZXPZVNDPQYIP-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(Nc1ncccn1)c1ccc3c(c1)OCO3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1986159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLYHFDMMYWAIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Nc2ncccn2)c2cc3c(cc2O)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSRPHARXGJWSH-UHFFFAOYSA-N", "SMILES:COc1cccc(C(Nc2ncccn2)c2cc3c(cc2O)OCO3)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTGJTMPKMGOJHT-UHFFFAOYSA-N", "SMILES:COc1cc(C(Nc2ncccn2)c2cc3c(cc2O)OCO3)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSLFZSPCZHXEAP-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(Nc1ncccn1)c1ccc(F)cc1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOTHQAYNAPHLDM-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc(F)cc1)n1ccnc1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLZWZNUKPMKGCR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc3c(cc2O)OCO3)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITSWHDEOSTHCR-UHFFFAOYSA-N", "SMILES:COc1cc(C(Nc2ccc(C)cn2)c2ccc3cccnc3c2O)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOPDKGYYANFDPZ-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2ccccn2)c2c(Cl)cccc2Cl)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2094875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPCTXYEMALQFR-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2ccccn2)c2ccccc2Cl)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1497004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDKMHIKWIGNKOJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKHBDOWRWTQKO-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVGLVQESZULKI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEXROXHHDBQUAA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRIKTDRCLNJXMA-UHFFFAOYSA-N", "SMILES:COc1cccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1326401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKYQISWKUJOTN-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2ccccn2)c2ccccc2F)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1434798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KITWISGNBVVYDE-UHFFFAOYSA-N", "SMILES:Oc1cccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1700391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUYZMYEHWGCMG-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2ccccc2)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNFFYAHWCDVOJP-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJNUTJAVMTITA-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2ccccc2F)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTFQEKBHSZDRLM-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2cccc(F)c2)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNOYNFNXZASMBC-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2ccc(OCc3ccccc3)cc2)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLRVDQSWWDLAAA-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGAWFARRBBNJRI-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUZNTSXJKBYPR-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2ccc([N+](=O)[O-])cc2)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTHDIWMHUZDNV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNAVATYWOEDMK-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2ccccc2)c2ccccc2)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPBFFNWSFCRBD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1979298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCFZETTYRDCRM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1728456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISNWVZYKYOKOX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(c1ccccc1)c1ccc2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFRIVAVQXGZCHZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1NC(c1ccccc1)c1ccc2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDPWBMHHNYATG-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(c1ccccc1)c1ccc2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPHWILHOQHBVES-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2ccc3cccnc3c2O)N2CCOCC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOKPJBCDXUEGDO-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFAUDODREFDNNI-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2cncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTLKJQTFBBOPN-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(F)cc2)N2CCNCC2)ccc2cncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNUGWXBGKFSBND-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYOBMWQZCENBI-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2scnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWRSZOFFZWGBP-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVWUGOGCXHDCM-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBQZHUDYBGLDPF-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXXARRDMOCTVLL-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYMLIOQZKOLCNJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2ccc(C(c3ccc(F)cc3)N3CCCCC3)c(O)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIKSUMUIWAABNB-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1C(c1ccc2ccoc2c1O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWLMNYOYFMJDOR-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc3c(c2)CCC3)N2CCCCC2)ccc2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSGJEFEHZQMOS-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccncc2)N2CCCCC2)ccc2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTCGWLCGFLFTK-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc3c(c2)OC(F)(F)O3)N2CCCCC2)ccc2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQOORHXLHLDATJ-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(C(F)(F)F)cc2)N2CCCCC2)ccc2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1436701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUPFNJHQHKECO-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)c1OC"], "synonym": ["NSC-38157"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXERBCAJTBAWGU-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccccc1)N1CCCCC1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVIIALXPLGHLMC-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc(F)cc1)N1CCCCC1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILCGMQVTOSSYRG-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc(F)cc1)N1CCCCC1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLRIEFNTOOLHMU-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2cc3c(cc2O)OC(F)(F)O3)N2CCOCC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPXSXGVIYDXDTA-UHFFFAOYSA-N", "SMILES:Oc1ccc2ccncc2c1C(c1ccc(F)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWVXLGISCAWFH-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]ccc2c1C(c1ccc(F)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXEWFPSKHMOWRP-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]ncc2c1C(c1ccc(F)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLZKBGYHPCTOFC-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]ncc2c1C(c1ccc(C(F)(F)F)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNKVBYCSGVFAK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(C(c2c(O)ccc3[nH]ncc23)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCVCFAZWNTVNE-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]ncc2c1C(c1ccc(-c2nccs2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAHBHSSGDXHQNY-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]ncc2c1C(c1ccc(-n2cccc2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZUUULBIAGULI-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]ncc2c1C(c1ccc(-c2cncnc2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZENSIVFDQSTIJB-UHFFFAOYSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(c1ccc(C(=O)NCCNC(=O)c3ccc(C(c4cc5c(cc4O)OCO5)N4CCCCC4)cc3)cc1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"name": "Protein disulfide-isomerase A2", "xref": ["CHEMBL.TARGET:CHEMBL4739853"], "id": "UniProtKB:Q13087", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTYBHRAALOEFDW-UHFFFAOYSA-N", "SMILES:Oc1c(C(c2ccc(F)cc2)N2CCN(C(c3ccc(F)cc3)c3ccc4cncnc4c3O)CC2)ccc2cncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKNXYFJSNUZBY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(Nc2ncccn2)c2cc3c(cc2O)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIXVEZHCYAGNQM-UHFFFAOYSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(c1ccc(NC(=O)c3ccc(C(c4cc5c(cc4O)OCO5)N4CCCCC4)cc3)cc1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGQPJWMMJWVWFR-XMTLNCGUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDOCFVSGUCYSNP-BFRWRHKQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVIIHEKJCKCXOB-MBWHYQHISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMTNWRKCQDJSGZ-OVCNTENVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYSGMSZOVDOHJH-XMTLNCGUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMNIDWFKNITYAU-VRYUMXQISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCNWMGUTGDPEN-WCUBCSFRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMFPKWJFWLLTIE-BFRWRHKQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNNLJDHEFCGNH-WWIHMOBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRJXYFQDKZYIN-WCUBCSFRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVNVILFNRMATF-XMTLNCGUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRAWBIJWYVVAZ-NRYZJANZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEDRXNTNLXXKO-YAYSHXSOSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHLZBNJZIVGRJ-JGCVITTNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTSIZOFXRUMGW-WCUBCSFRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIODGCXFPVHLY-KTEAAMLKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSDXQFPNQHLPJ-NRYZJANZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPOXKJETIWBQP-UHFFFAOYSA-N", "SMILES:O=C(O)CC(NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1cccnc1"]}
{"name": "Succinate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL2150838"], "id": "UniProtKB:Q9BXA5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPOXKJETIWBQP-IBGZPJMESA-N", "SMILES:O=C(O)C[C@H](NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRHLECJYYZUAHL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)O)c1cccc(-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUOJXDACZUGPFU-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAGRVPHKSIHCC-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)cc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWXDNZWMQAUKL-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cccc(C(=O)Nc4ccccc4CC(=O)O)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEQODTWEXCBUAZ-UHFFFAOYSA-N", "SMILES:NCc1cccc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAJPOLKQKSTMN-UHFFFAOYSA-N", "SMILES:NCc1cc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNOCYSXOAXIMZ-UHFFFAOYSA-N", "SMILES:NCCOc1cc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVUPYKWBLAHAJY-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CNC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUHMJVXTGQROA-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CCNC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNMYDAVATJWRII-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CCNCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUFQHOICNXMBSD-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CCCNC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICVHWNVCRBWIQT-GOSISDBHSA-N", "SMILES:O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(O[C@@H]3CCCNC3)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZGZLKOWGFBSB-LJQANCHMSA-N", "SMILES:O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(O[C@@H]3CCCNC3)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVMBOXLPRVXDNY-LJQANCHMSA-N", "SMILES:O=C(O)Cc1cc(F)ccc1NC(=O)c1cccc(-c2ccc(Cl)c(O[C@@H]3CCCNC3)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFEPTZHWLQHZBI-LJQANCHMSA-N", "SMILES:O=C(O)Cc1cc(F)ccc1NC(=O)c1cccc(-c2cc(O[C@@H]3CCCNC3)c(Cl)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOARNYDOKGVQG-MRXNPFEDSA-N", "SMILES:O=C(O)Cc1cc(F)ccc1NC(=O)c1cccc(-c2cc(O[C@@H]3CCCNC3)c(Cl)cc2F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFIDHIDGDXATPD-UHFFFAOYSA-N", "SMILES:NCc1cccc(-c2cccc(COc3ccccc3CC(=O)O)c2)c1"]}
{"name": "Succinate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL2150839"], "id": "UniProtKB:Q6IYF9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCRMLSBGAKPFW-RTPDKIPNSA-N", "SMILES:COC[C@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRCRRUYZIFHEBT-SCFUHWHPSA-N", "SMILES:CN(Cc1ccccc1)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTPSDTXIIVQGO-XNIJJKJLSA-N", "SMILES:O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPVJLGWCRDWGP-BPAMBQHCSA-N", "SMILES:CN(c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)[C@H]1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JITONTGSEKFAFI-VMNRDUPSSA-N", "SMILES:CN(c1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)[C@H]1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEUAVPYIGQALX-UBTKDOLISA-N", "SMILES:COP(=O)(CP(=O)(O)O)OC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJUMSTWIRHVRJ-ATNYBXOESA-N", "SMILES:COP(=O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCMXLEJJHLKYMF-QGVRBVELSA-N", "SMILES:COP(=O)(O)CP(=O)(OC)OC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCNCWODUJYASH-SCFUHWHPSA-N", "SMILES:O=C(CP(=O)(O)O)OC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXPFGWACKJBBJL-NVQRDWNXSA-N", "SMILES:CN(C[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O)C(=O)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMLMGVPVDXWACC-VMUDFCTBSA-N", "SMILES:O=P(O)(O)CS(=O)(=O)NC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPXHUKVOYOCNR-ATNYBXOESA-N", "SMILES:O=P(O)(O)CCOC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXUEAYQJHERGY-ATNYBXOESA-N", "SMILES:O=P(O)(O)COCC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGWGCSOWAKFTM-VMUDFCTBSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAIAGXYPLMOWIL-VMUDFCTBSA-N", "SMILES:O=P(O)(O)CSC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTWSJXWXYKCCX-VMUDFCTBSA-N", "SMILES:O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHVIBKVJIZKOC-RTWAVKEYSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFBXEASENQIGI-JQGYAOAWSA-N", "SMILES:CC(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMXMFPHJMRWKEA-BVGIBNHUSA-N", "SMILES:O=P(O)(O)C(CO)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQUGEKWTQMGZEU-ZNKOAIQGSA-N", "SMILES:COCC(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRPYXPJAKIGAI-BHCDIJIXSA-N", "SMILES:O=C(O)C(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEAAZMKJGPTWEZ-BVGIBNHUSA-N", "SMILES:N#CC(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFBQUMWEOGLIP-HIDXMTOYSA-N", "SMILES:O=P(O)(O)C(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPVCKBXSCCYPT-PPKIAISOSA-N", "SMILES:CS(=O)(=O)C(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXDOSQWZMWBRDY-CLBLVCIUSA-N", "SMILES:O=P(O)(O)C(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPITEDBCBAYRP-BHZYSJIXSA-N", "SMILES:CC(CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNPLFAQHIDLLKM-FSXPKSEBSA-N", "SMILES:CN(CC(C)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTJQPWQUAXCCOI-RXUYWNQFSA-N", "SMILES:CSCC(C)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUPNKBXURRSFJ-RXUYWNQFSA-N", "SMILES:CC(CS(C)(=O)=O)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFDYBFPHJWEVAA-RXUYWNQFSA-N", "SMILES:CC(CCO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQNNQIKQYXPIC-BRXULGCHSA-N", "SMILES:O=P(O)(O)C(CO)(CO)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCRMLSBGAKPFW-RXUYWNQFSA-N", "SMILES:COCC(CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPITEDBCBAYRP-DLOISVIMSA-N", "SMILES:C[C@@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPITEDBCBAYRP-KJAPDMNUSA-N", "SMILES:C[C@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCRMLSBGAKPFW-RWVXVPBESA-N", "SMILES:COC[C@@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZZFJGXGVNOTIU-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCC(C)(C)C)c(-c2ccc(COc3cccc(C(CC(=O)O)C4CC4)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXZMGBTZMHWXTB-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCC(C)(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSQKXEJDWVXARH-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCC(C)(C)C)c(N2CC(COc3cccc(C(CC(=O)O)C4CC4)c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRXREQIOCYUKN-PMERELPUSA-N", "SMILES:COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMHTWIABKKSAM-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOIYSWXXULNNBX-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAWSTFKUCSYDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQPHVUYTWUOUSR-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(C)(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYWVTOWQJBOQO-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(C)(C)O)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQFCXVQVWYJQB-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)CC(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZBSKTSMJXOYBB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(C)CC(C)(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYDVCLMTZYGXEN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(C)c2ccccc2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHQBYEABGCFDDR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(C)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWHUOPCNAPUTF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(CC(C)C)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOCQKRUERKSHLQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(CC(C)(C)C)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNOIONNTORPZTC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(CC(C)(C)C#N)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWUHDIGWNNWBMV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(CC(C)(C)OC)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFJWSAXYKOABMS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBKGOXQXEKHBGC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cccc(C(CC(=O)O)OC)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMIGURGLJMMDRK-UHFFFAOYSA-N", "SMILES:CCOC(CC(=O)O)c1cccc(OCC2CCN(c3cc(OC)ccc3C(=O)N(CC(C)(C)C)c3cccc(C)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHVYNKLBOMNHTO-UHFFFAOYSA-N", "SMILES:COCC(CC(=O)O)c1cccc(OCC2CCN(c3cc(OC)ccc3C(=O)N(CC(C)(C)C)c3cccc(C)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVYMTCSXVZUXCE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cccc(C4(CC(=O)O)COC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRXREQIOCYUKN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc(C(CC(=O)O)C4CC4)ccn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRXREQIOCYUKN-SSEXGKCCSA-N", "SMILES:COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc([C@H](CC(=O)O)C4CC4)ccn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQJHENDLXIPEJF-VWLOTQADSA-N", "SMILES:COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCVRGSYBFXYMN-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYQHDMGURKOGT-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1c(CCc1ccccc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O"]}
{"name": "Ubiquitin-like modifier-activating enzyme ATG7", "xref": ["CHEMBL.TARGET:CHEMBL2321621"], "id": "UniProtKB:O95352", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRZWOFPUKRWUFQ-CNEMSGBDSA-N", "SMILES:Nc1ncnc2c1c(OCc1ccccc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTSOHAFQBZXVSL-HTVVRFAVSA-N", "SMILES:CC(C)Oc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUGFBXZXIJOVKN-JTFADIMSSA-N", "SMILES:CCOc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMDVFZIMQIMKS-BHBWVORQSA-N", "SMILES:Nc1ncnc2c1c(OC(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGSWPNRFYCUDB-DAGMQNCNSA-N", "SMILES:Nc1ncnc2c1cnn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHFECDVBHGXJN-BHBWVORQSA-N", "SMILES:Nc1ncnc2c1c(O)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVHOPJCSYNTLAH-RPKMEZRRSA-N", "SMILES:COc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDIBRSZOZOHBQK-HTVVRFAVSA-N", "SMILES:CC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINMBWMRXQZRGS-JTFADIMSSA-N", "SMILES:CCSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSULIUAOMXPISB-RPKMEZRRSA-N", "SMILES:CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGZOAMRHNAMJEH-HTVVRFAVSA-N", "SMILES:Nc1ncnc2c1c(Sc1cn[nH]c1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPIQMHCQPHVWIF-CNEMSGBDSA-N", "SMILES:Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJELGLQJHTUEFC-CNEMSGBDSA-N", "SMILES:Nc1ncnc2c1c(SCc1ccccc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHRJIUXBQBEGPM-UBEDBUPSSA-N", "SMILES:Nc1ncnc2c1c(Sc1ccccc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTGWXRMBVVFAV-RRKCRQDMSA-N", "SMILES:COc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBNRLCTUZWQPI-KVQBGUIXSA-N", "SMILES:Nc1ncnc2c1c(OC(F)F)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIYQDSNKNROMJ-RRKCRQDMSA-N", "SMILES:CSc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCXBJKSUTZHZCN-XLPZGREQSA-N", "SMILES:CCSc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDKZZZPZVYXKY-DJLDLDEBSA-N", "SMILES:CC(C)Sc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJKSEDOCJGXBNB-YNEHKIRRSA-N", "SMILES:Cc1cccc(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OICGDVPCZSVSCO-QJPTWQEYSA-N", "SMILES:Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYCCRMITKNCNZ-DMDPSCGWSA-N", "SMILES:Cc1ccc(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMHDSDUKCLGLF-RRFJBIMHSA-N", "SMILES:Nc1ncnc2c1c(Sc1ccc3c(c1)CCC3)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPZKCWNOSJROB-WAUSKZQCSA-N", "SMILES:COc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXDILQQJLNYAP-PLWWYIFASA-N", "SMILES:Nc1ncnc2c1c(OC(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHGPHSNNKSOMZ-WAUSKZQCSA-N", "SMILES:CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZMWGQFGQGFLM-GURMABIDSA-N", "SMILES:CC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUCKXYNLHCNDCE-HWAANXBSSA-N", "SMILES:Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZNXSSAZSFJJR-DFANHVJVSA-N", "SMILES:Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSULIUAOMXPISB-WWLWPKCJSA-N", "SMILES:CSc1nn([C@@H]2O[C@@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDIBRSZOZOHBQK-FCCZHNFCSA-N", "SMILES:CC(C)Sc1nn([C@@H]2O[C@@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIYQDSNKNROMJ-LYFYHCNISA-N", "SMILES:CSc1nn([C@H]2C[C@H](O)[C@H](COS(N)(=O)=O)O2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDKZZZPZVYXKY-XHNCKOQMSA-N", "SMILES:CC(C)Sc1nn([C@H]2C[C@H](O)[C@H](COS(N)(=O)=O)O2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OICGDVPCZSVSCO-SDDRHHMPSA-N", "SMILES:Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2[C@H]1C[C@H](O)[C@H](COS(N)(=O)=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMHDSDUKCLGLF-SOUVJXGZSA-N", "SMILES:Nc1ncnc2c1c(Sc1ccc3c(c1)CCC3)nn2[C@H]1C[C@H](O)[C@H](COS(N)(=O)=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYCCRMITKNCNZ-GMXVVIOVSA-N", "SMILES:Cc1ccc(Sc2nn([C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHGPHSNNKSOMZ-GWOKTTKASA-N", "SMILES:CSc1nn([C@@H]2O[C@@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEXMVNXZWMBKJU-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFWHIAKKGOESN-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXSKYCJZVRQQPF-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)c(C)c3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCTASBKVPAEZPZ-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYNKYEVOVPMPBO-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)c(Cl)c3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCVDNFRXLOQNGM-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3Cl)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQBJHDPYKJSHR-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)nc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHOGXSUVFDCRA-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDXJIINJTNBNKC-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYENMUFKHZZNRN-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)c(C)c3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBLRYZLPLBYSH-WEVVVXLNSA-N", "SMILES:CCC/C=C/C(=O)Nc1cccc(Oc2nc(Nc3ccn(C)n3)nc3c2CSCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGEUNGPQYYKVCP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OC)c3)nc3c2CSCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJQOJHIJPVGFM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(C#N)c3)nc3c2CSCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORMDDFDAKOUCF-NYYWCZLTSA-N", "SMILES:CCC/C=C/C(=O)Nc1cccc(Oc2nc(Nc3cccc(C#N)c3)nc3c2CSCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXQIWUCOUMEFAW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)cc3)nc3c2CSCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZFLLDKTRTLOZ-HWKANZROSA-N", "SMILES:C/C=C/C(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)nc3)nc3c2CSCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBABELWDNBHMMH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cc1sc(NC(=O)C2COc3ccccc3O2)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTHWTKNEDPJWRK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cc1sc(NC(=O)c2ccncc2)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFMOQQJHZNJNFG-UHFFFAOYSA-N", "SMILES:CN(C)CCc1sc(NC(=O)C2COc3ccccc3O2)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAVWVXYUSYUCQE-UHFFFAOYSA-N", "SMILES:CN(C)CCc1sc(NC(=O)c2ccncc2)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBZOHTJBAVLXLU-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccncc2)c(CN2CCOCC2)s1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKBPUCHZVIUIQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccncc2)c(CN2CCOCC2)s1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWSGYGHCXYPNB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccncc2)c(CN2CCCC2)s1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXAXXAIDFPNDS-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccncc2)c(CN2CCCCC2)s1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAQRXFZLNWTDR-UHFFFAOYSA-N", "SMILES:CN(C)Cc1sc(NC(=O)c2ccncc2)nc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAHWCLKRJGDPGR-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2cccnc2)c(CN2CCOCC2)s1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIEOSSWLHWMJGJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2cccnc2)c(CN2CCOCC2)s1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDFDCFBJDPSZAK-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2sc(NC(=O)c3cccnc3)nc2-c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVWVFKKARXWBII-UHFFFAOYSA-N", "SMILES:CC(C)N(C)Cc1sc(NC(=O)c2cccnc2)nc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXJZHPPYJUNGIP-UHFFFAOYSA-N", "SMILES:CN(C)Cc1sc(NC(=O)c2cccnc2)nc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXQGMLAAFJTFX-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2cccnc2)c(CN2CCCCC2)s1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPYLMKMKVHILC-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccncc2)c(CN2CCOCC2)s1)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRFLEKLPXDBEP-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2cccnc2)c(CN2CCOCC2)s1)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROMWPXQTIIZFN-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2cccnc2)c(CN2CCCC2)s1)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOHYUFIAPOQBCI-UHFFFAOYSA-N", "SMILES:CN(C)Cc1sc(NC(=O)C2COc3ccccc3O2)nc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIRCSJXXTMMMFZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccncc2)c(N2CCOCC2)s1)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUWMQRXDJAGMN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2sc(NC(=O)c3ccncc3)nc2-c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFKFOLRMTPJJLB-UHFFFAOYSA-N", "SMILES:CC(C)N(C)c1sc(NC(=O)c2ccncc2)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKGSTFAKMXWFE-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccncc2)cs1)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJGVFATVAILGR-YWBWYGPRSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZDHTMHWAKFRT-OBOOOKMBSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(Cc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMTQWRMTZVSHNR-NHDOVPPCSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CCc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIJWWOWSZPCQKD-YWBWYGPRSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(-c2ccc(O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNCYPHLGQIATRW-YWBWYGPRSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(-c2cccc(O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFBDXVBSPNNCKN-PIBZIWMISA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CCO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFYKDZQIOBPCJ-XPMXXILHSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CC(=O)O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPITVWVJUCGGH-CAMMJAKZSA-N", "SMILES:C[C@]12CC[C@]3(C#N)c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLNGCCVBFFPGF-SXYSDOLCSA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@]3(C#N)CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWOYKOKUVEVOU-VMXHOPILSA-N", "SMILES:C[C@]12CC[C@]3(C#N)c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUPWQUFRPKVOK-UUWFGAOWSA-N", "SMILES:C[C@]12CC[C@]3(C#N)c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CCO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL367588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNNDCMXZYWCCI-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc3cc(O)ccc3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL363498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGEKOZPXKBYLNK-UHFFFAOYSA-N", "SMILES:N#Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL187392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPAMLAKLEWYMGF-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc3cc(O)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCWJJXZGAQSUKE-UHFFFAOYSA-N", "SMILES:N#Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVBRDUUGVUHMON-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2n[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFSTURXYQCHDCD-UHFFFAOYSA-N", "SMILES:c1ccc2c(COc3n[nH]c4ccccc34)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMCOXFRMYOOHTQ-UHFFFAOYSA-N", "SMILES:c1ccc2cc(COc3n[nH]c4ccccc34)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFDPHJBGPEELW-UHFFFAOYSA-N", "SMILES:Cn1nc(OCc2ccc3ccccc3c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTJRQOQMWJCDA-UHFFFAOYSA-N", "SMILES:c1ccc2cc(COc3nn(CCC4CCCCC4)c4ccccc34)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVHMZIMFLFDTIN-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)c(OCC1CCCCC1)nn2CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSHSFAITCUQCLP-UHFFFAOYSA-N", "SMILES:c1ccc(COc2nn(Cc3ccccc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVAXYHRRCLDBRZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]nc(OCc3ccc4ccccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYEHLGQTZYKVFJ-UHFFFAOYSA-N", "SMILES:CCCCCOc1nn(CCCCC)c2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZCLGOSOJHUUST-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(OCc2ccc(OC)cc2)c2cc([N+](=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVAPCERQXKPLTK-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(OCc2ccc3ccccc3c2)c2cc([N+](=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVLQXGDFJBICRN-UHFFFAOYSA-N", "SMILES:CCCn1nc(OCc2ccc3ccccc3c2)c2cc([N+](=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1973869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJMERFUMDLBHZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSUYQQJCTVEKG-UHFFFAOYSA-N", "SMILES:CCCn1nc(OCc2ccc3ccccc3c2)c2cc(N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGJISBWJWTPLH-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYCEOSASXUZPY-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLOCEKRMGCPYFY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]nc(OCc3cccc4ccccc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUIKYDSLAKMGW-UHFFFAOYSA-N", "SMILES:Cn1nc(OCCc2ccccc2)c2cc([N+](=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPNEWURVLCMTL-UHFFFAOYSA-N", "SMILES:Cn1nc(OCc2ccc3ccccc3c2)c2cc([N+](=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLNMFCFRWMVSV-UHFFFAOYSA-N", "SMILES:Cn1nc(OCc2cccc3ccccc23)c2cc([N+](=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMJWSVJQMZYSE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)c(OCC1CCCCC1)nn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3116296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTJUKEFFXJKADG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMRIVODIXTERW-BDTNDASRSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGYKSZSGBAAAIX-ONBPZOJHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](OC(=O)Cc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAUPKVQHAPDXDP-ONBPZOJHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVQUNZCNAMROD-RZUBCFFCSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNRDXZLYXCJNEE-HNNXBMFYSA-N", "SMILES:CN(C(=O)C1CC(F)(F)C1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1"]}
{"name": "Pantetheinase", "xref": ["CHEMBL.TARGET:CHEMBL4739843"], "id": "UniProtKB:O95497", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYXIKUVZHPNFE-HOTGVXAUSA-N", "SMILES:CN(C(=O)[C@@H]1CCCO1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USJBHYNPFKEQOS-ZDUSSCGKSA-N", "SMILES:CC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPVHQUACMWDXFV-HNNXBMFYSA-N", "SMILES:CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)CCO)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCZIQKKCFSUSV-HNNXBMFYSA-N", "SMILES:CCC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N(C)C(C)=O)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASBJFLGCEWFOAZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1ccc(C(=O)N2CC(C)(c3ccccn3)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNKHSLGMRZBAC-OAHLLOKOSA-N", "SMILES:O=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZXEKAWSCWTFZ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2cc(C(=O)N3CCc4[nH]c5ccccc5c4C3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVJCFQZEYNAZKI-UHFFFAOYSA-N", "SMILES:O=C(c1cnn(-c2ccccc2)c1)N1CCc2[nH]c3ccccc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZOJTZLUEMGZIG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRQNMJCZINDASB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNTCYUGWQQLRNB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABADHQWCMGPUJT-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(C)C)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXOUVZRPQAICQD-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(-c2ccccc2)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGFVVORMTJWMIP-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c[nH]c(C(F)(F)F)n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMIONGVYKALYEV-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Br)o1)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4799939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTJWHAFNDUCEEO-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2ccc(N(C)C)cc2[nH]1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICWUBWNKICLDI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(F)(F)F)n(C)n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZFXEPGZJGTYSX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1c(n2C)CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYJFSLPAOXEIFP-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2[nH]c3ccccc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVFGARNICGMLK-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVYVVHBKCXFCM-UHFFFAOYSA-N", "SMILES:Cc1cccc2[nH]c3c(c12)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWPAGOUOSCTCQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c3c([nH]c2c1)CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVEVADJGEODMRO-UHFFFAOYSA-N", "SMILES:Cc1cccc2c3c([nH]c12)CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQUDXJKLOKACNW-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDOIWYJMCMFHBH-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2[nH]c3ccc(F)cc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVOVWGNLEKEAOX-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2[nH]c3c(F)cccc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXXCAIPQHLVZJH-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2[nH]c3ccc(C(F)(F)F)cc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRBKMQQCJWNCDI-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRFPGPUISURNFD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSCAUMRVDWLPW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMYSPKYIKYPNHA-UHFFFAOYSA-N", "SMILES:COc1cc(F)c2[nH]c3c(c2c1)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYILWGKYOXDMND-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c2[nH]c3c(c2c1)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMJWSLRPIMAOQS-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2[nH]c3c(F)cc(F)cc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXCFWVSZKMKGA-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2[nH]c3c(F)cc(C(F)(F)F)cc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCLUPJJMCXWOY-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2[nH]c3c(F)ccc(F)c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLTIRULISDKNKR-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPPFEYKNSPSTH-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2c3c([nH]c12)CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLBFHAEHYVLJA-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)C(C)N(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLCJTRWPFBLFJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)C(C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGGPQSAHKYYPW-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)C(C)(C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLMEEPZFKJSCW-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)C1CCC(C3)N1C(=O)c1cc(C(F)(F)F)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLMEEPZFKJSCW-RNCFNFMXSA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)[C@@H]1CC[C@H](C3)N1C(=O)c1cc(C(F)(F)F)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSUHUFWNOULEA-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLCJTRWPFBLFJ-SECBINFHSA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)[C@H](C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLCJTRWPFBLFJ-VIFPVBQESA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)[C@@H](C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLBFHAEHYVLJA-VIFPVBQESA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)[C@H](C)N(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLBFHAEHYVLJA-SECBINFHSA-N", "SMILES:Cc1ccc(F)c2[nH]c3c(c12)[C@@H](C)N(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQUHXGSBGPEBHW-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)N(Cc1ccc(-c2cc(F)ccc2-c2nnn[nH]2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRCOSFUSYFJPDX-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(F)cc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZUFUYSTRZJEM-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(Cl)cc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYDAJGMRGSEIZ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWAHFJICKDNNCV-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXERVMCMKODBDY-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASZFAPQMGXNKJW-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFGPURQQWLXNS-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHLPPYDOEDYBLB-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBFPKUPAJIBLZ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIAVKJNOJBNFOM-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHZCSQDFXNYPB-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOQZDHLBEFIBTA-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWPPQWDESVAOOV-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWYBSVYNDCSYEQ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OORMCHUAEAWOFC-UHFFFAOYSA-N", "SMILES:CCCCC(=O)NCc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNZCSVUUMOCBAQ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVWWCUUDABZYOO-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAFVLFNRDQYHGA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccc(CN(C(=O)c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMZVGQWLOCTDL-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMPUPVNGHDHCFQ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQHWYYLQXNWJF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccc(CN(C(=O)Cc2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELQDDVYXNMXER-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccc(CN(C(=O)CC2CC2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBARXSAOEFLDIP-UHFFFAOYSA-N", "SMILES:COCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGPPUCPPGQWER-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVCUSRSWTXHMV-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKIAVBYKGKWODE-UHFFFAOYSA-N", "SMILES:CCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXUWHKKVGRWWCB-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccccc1)Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHFDAOWKWWBSC-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(-c2ccccc2C(=O)O)cc1)C(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKMRYDMOBXWOGY-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(-c2ccccc2C(=O)O)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBNIJKOXMXWIPU-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)NS(C)(=O)=O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCIXCRKSJKEII-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYJHXSNABYQMY-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(N)=O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDMQRBRKIKYEDR-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJHPTZBAXQZOSF-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2CO)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWFKCJJQDOIOO-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)OC)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVOIUOCMDKVAFI-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2cc(F)ccc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJFUHCSHHFCGQQ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2cnccc2C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGVWEAVKAKKRO-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(-c2ccccc2C(=O)O)cc1)C(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBCZLNKIZJEPQ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(C)Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRUXAOUDIETSO-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFIKSJQFIUOCQB-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUWQMPKAYFUDA-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBZWVLPALMACV-KRWDZBQOSA-N", "SMILES:Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2ccccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBKIJGLHFFQHBE-IRXDYDNUSA-N", "SMILES:CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@H](c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJPHTXTWFHVJIG-UHFFFAOYSA-N", "SMILES:CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAESRBGDDLTENX-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=Cc2c(OCc3ccccc3F)ccc3ccccc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJRIHPQGQXUHEX-PTGBLXJZSA-N", "SMILES:O=C1/C(=C/c2ccc(N3CCOCC3)cc2)c2ccccc2N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIEKMBXYJOVXKP-ZMXFDXOUSA-N", "SMILES:O=C(/C=C/c1cccc(F)c1)N1CCOc2c(cc(-c3cccnc3)cc2OC[C@H]2CCCCO2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOONNZFYJYLZCP-UHFFFAOYSA-N", "SMILES:O=C(c1sc2cccc(F)c2c1Cl)N1CCN(Cc2ccco2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFNJKHLTWHEJMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSCc2ccc(-c3nc(-c4ccccn4)no3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYXLRFQGWHHIPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(CC(=O)N(C)Cc3c(F)cccc3Cl)cs2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHUSXEHEXJRWJI-CQSZACIVSA-N", "SMILES:C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4741048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZAISNFIIYVWPY-XMMPIXPASA-N", "SMILES:COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZAXZOOYOZTSGS-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(F)cc(C(=O)NCCOc3ccc4ccccc4c3)c2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNHKXRGBRAVQQ-UHFFFAOYSA-N", "SMILES:CN(CCc1cccc2ccccc12)C(=O)c1c[nH]c(=O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJVSJRPGZGZHDV-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITUNJPYETJCQPB-CTOYSFNJSA-N", "SMILES:Cc1ccc(C(=O)[C@H](C)Oc2cccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@@H]4C3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUXCEDALJGNUSQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cc1ccccc1)N1CCN(Cc2csc(-c3ccco3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLLWIUIKEVFMKW-GOSISDBHSA-N", "SMILES:Cc1ccccc1OC[C@@H]1CCCN(C(=O)CCc2nc(-c3ccccn3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHOCWLGRSHHQG-OUKQBFOZSA-N", "SMILES:O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1occc1COc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGBLNBUBLLLNC-ZDUSSCGKSA-N", "SMILES:Cc1ccc(-c2nc(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)cs2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMJQDSZSDWSPC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN(C)C(=O)Cc1csc(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWWHXUHKCLEEMX-INIZCTEOSA-N", "SMILES:C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOFAXCTGHAAKG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc3ccccc3s2)o1)N(Cc1ccco1)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRYXZOLQVEBGO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Oc2cc(=O)n(-c3ccccc3)c3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGILNBOXPOLWSX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ncccc2NC(=O)c2ccc3c(c2)OCCCO3)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRVKAXRRAJLOD-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(C(=O)OCc3cccnc3)c(C)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULSWYMVZGGYQO-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(C)c(CC(=O)N(Cc3cccnc3)C3CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYNLEYKWJTTXLR-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)CCCN1C(=O)c2cccnc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPEJLUMQANWQNM-UHFFFAOYSA-N", "SMILES:c1ccc(-c2n[nH]cc2-c2nc3c(cnn3Cc3ccncc3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUDCLIGIBKSTKY-QWDWFLGPSA-N", "SMILES:CCCCCCCCCCCCP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1.N.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCFAMTZAHMQWOB-UHFFFAOYSA-N", "SMILES:CC(C#Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCZQKBHCZISKJ-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLACJKHPSFQGX-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cncc(C(=O)NCc2ccccc2C(F)(F)F)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZMDFJSTKRJEH-UHFFFAOYSA-N", "SMILES:CC(C#Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)o1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIQTIMNAHCECG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1C#CC(C)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUHBTJDKCVYCTM-UHFFFAOYSA-N", "SMILES:NC(=O)N(O)CC#Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCZQKBHCZISKJ-ZDUSSCGKSA-N", "SMILES:C[C@@H](C#Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCZQKBHCZISKJ-CYBMUJFWSA-N", "SMILES:C[C@H](C#Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVQHYMJENHNXGI-UHFFFAOYSA-N", "SMILES:CCC(C#Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPJGKHSBFCONDB-UHFFFAOYSA-N", "SMILES:CCCC(C#Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLZYDUCHJXWCG-UHFFFAOYSA-N", "SMILES:CC(C)C(C#Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KITOLLDWEFDTLB-UHFFFAOYSA-N", "SMILES:CC(C)CC(C#Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGNNEWLAPHXOLU-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFFLQTBIPGWMKJ-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCCc2ccc(F)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLXVQRJLFPACS-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCc2cccc(F)c2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USPGDVAVCCDZAL-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCc2ccccc2OC(F)(F)F)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PITWJPFQICEVHY-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNKLLMNQYDATBC-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cccc(C#CC(C)N(O)C(N)=O)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZHRZKRHLDEEW-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKSTOSTEPKAHX-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIYNOVSCCIOQD-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccc(F)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBMWVZIHNZMJL-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccc(C(F)(F)F)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXPQGGUDYBGKG-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccc(OC(F)(F)F)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUJUAXPJIMXHKW-UHFFFAOYSA-N", "SMILES:CC(C#Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccc(Cl)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJPMSWWCYFIST-TUHVGIAZSA-N", "SMILES:C[C@H](C#Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTEGEWLRNIUNQW-OEPVSBQMSA-N", "SMILES:C[C@H](C#Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccc(S(N)(=O)=O)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMHJJPJCMXAPJF-FKSKYRLFSA-N", "SMILES:C[C@H](C#Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccc(Cl)c(Cl)c2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFWMOZOJWCFDT-YDONVPIESA-N", "SMILES:C[C@H](C#Cc1cccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEMMGSTLWFLPM-YDONVPIESA-N", "SMILES:C[C@H](C#Cc1cccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(OC(F)(F)F)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPEZMFOCOQTURC-GOSISDBHSA-N", "SMILES:C[C@H](C#Cc1cccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVYUVHXRHYRDB-HXUWFJFHSA-N", "SMILES:C[C@H](C#Cc1cccc(C(=O)NCCN(c2ccccc2)c2ccccc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFWMOZOJWCFDT-IQGLISFBSA-N", "SMILES:C[C@H](C#Cc1cccc(C(=O)NCC[C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFWMOZOJWCFDT-CJAUYULYSA-N", "SMILES:C[C@H](C#Cc1cccc(C(=O)NCC[C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)c1)N(O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUWQYHYHSQTERY-UHFFFAOYSA-N", "SMILES:CNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKZIOOYJOLTGOX-UHFFFAOYSA-N", "SMILES:CNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMILUPVYJHBMC-UHFFFAOYSA-N", "SMILES:CNc1nc(C)nc(N2CCC(C(=O)NCc3ccc(F)cc3C(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRKVSQNBSGFSQY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXDBBQDLVSJCS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQOJWVHLJYMILK-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRWGDCFFHDPTMW-UHFFFAOYSA-N", "SMILES:O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2069640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDWNBDIICRXDK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(CCNC(=O)c2ccc(C#N)nc2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUAKVMIYOHSBTO-UHFFFAOYSA-N", "SMILES:Fc1c(-c2ccncc2)ccc2ncn(-c3ccc4c(c3)OCO4)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANYGJOZNEQLSMZ-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3ncn(-c4ccc5c(c4)OCO5)c3n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCOVSQDPCCZUST-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2cnc3ccc(-c4ccncc4)c(F)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNAWMTNOXRGXAN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cnc3ccc(-c4ccncc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZMORJNHULLERW-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-n2cnc3ccc(-c4ccncc4)c(F)c32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTYXXJJSUBYTN-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3ccncc3)nc2n1-c1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDVNCPNQFBHRH-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3ccncc3)nc2n1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLHXWBLZYUGTM-HWWDLCQESA-N", "SMILES:CC(=O)N1C[C@@H]2[C@H](C1)[C@H]2n1c(C)nc2ccc(-c3ccncc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPRKWWRJZRMULN-HNNXBMFYSA-N", "SMILES:CC(=O)N1CC[C@H](n2c(C)nc3ccc(-c4ccncc4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGFWXJBMHPOZGA-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cnn(C4CC4)c3)nc2n1-c1ccc(N2CCOCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPLLYDQJIKGNT-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMEHBIOLAPILQC-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQICYPQWAYIFTN-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHEAPNWORYVPON-UHFFFAOYSA-N", "SMILES:Fc1c(Cl)cccc1Nc1ncnc2cc3c(cc12)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLUFWWVOINWEL-UHFFFAOYSA-N", "SMILES:Fc1c(Br)cccc1Nc1ncnc2cc3c(cc12)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYOUAGILXESLL-UHFFFAOYSA-N", "SMILES:Fc1c(I)cccc1Nc1ncnc2cc3c(cc12)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZFKRMGQEUSPRJ-UHFFFAOYSA-N", "SMILES:Fc1c(Nc2ncnc3cc4c(cc23)OCCO4)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKLAEEXSKVRKRN-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLUGSFVBTCMLQR-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1198370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRPHQQIEMLXRO-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQFBQDSKGKTHM-UHFFFAOYSA-N", "SMILES:Oc1c(Br)cccc1Nc1ncnc2cc3c(cc12)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPANFYRBKIKTDZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2ncnc3cc4c(cc23)OCCO4)c(F)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKSXIZCNAQXIR-UHFFFAOYSA-N", "SMILES:Fc1c(Nc2ncnc3cc4c(cc23)OCCO4)ccc(Cl)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZTFOPHXVHJRBO-UHFFFAOYSA-N", "SMILES:Fc1c(Nc2ncnc3cc4c(cc23)OCCO4)ccc(Br)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZNHPPBJUBKHU-UHFFFAOYSA-N", "SMILES:Fc1cc(Br)c(F)c(Nc2ncnc3cc4c(cc23)OCCO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZAWKOMVQFIOTR-UHFFFAOYSA-N", "SMILES:Fc1c(Br)cc(Cl)cc1Nc1ncnc2cc3c(cc12)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAGDBHLFUMJKOB-UHFFFAOYSA-N", "SMILES:Fc1c(Nc2ncnc3cc4c(cc23)OCCO4)ccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUDNOLWHKWSFBJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(Br)cc1Nc1ncnc2cc3c(cc12)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVCSIFNUNPPUFH-UHFFFAOYSA-N", "SMILES:Fc1ccc(Br)c(F)c1Nc1ncnc2cc3c(cc12)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDMVDGFMGKAHY-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHCCZZHEZZPUGG-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYOWVJPNKQIXMM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKEFYKXFFFEGCZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1ccc(CCCOc3ccccc3)c(C(=O)O)n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLJYVHIEPGHAJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1ccc(-c3ccn(Cc4ccccc4)c3)c(C(=O)O)n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKBDYBTAFPYQG-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1ccc(-c3cnn(Cc4ccccc4)c3)c(C(=O)O)n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGEMJPBZSUHINL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1ccc(-c3cn(Cc4ccccc4)nn3)c(C(=O)O)n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMDJUGGGZMLBPA-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccccc2)cc1-c1ccc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)nc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVYAPAVPDRSPOG-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cnn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTNPPPMKYJVOKW-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccccc2)c(C)c1-c1ccc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)nc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CISUFXVSHKYRMS-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cnn1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCQQONWEDCOTBV-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cnn1CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCFKELVKOCTOB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1ccc(-c3cnn(Cc4ccncc4)c3)c(C(=O)O)n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIPLRAEUZGAKW-UHFFFAOYSA-N", "SMILES:COC12CC3CC(CC(Cn4ncc(-c5ccc(N6CCc7cccc(C(=O)Nc8nc9ccccc9s8)c7C6)nc5C(=O)O)c4C)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVHNRXDZDSLSJZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(CCC(=O)NCCCCNC(=O)c3ccc(C4=c5cc6c7c(c5Oc5c4cc4c8c5CCCN8CCC4)CCC[N+]=7CCC6)c(C(=O)[O-])c3)cc2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHAFHPEFGQMEO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(C(=O)NC3CC3)nc3cccnc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLHUCTKVMAOAJA-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1nn2ccccc2c1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMEUWHMPNDRWRO-UHFFFAOYSA-N", "SMILES:O=C(c1nc2ccccc2n1-c1ccc(Cl)c(Cl)c1)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLHRVCVMMPQCZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(C(=O)NC3CC3)cc3cccnc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTJYRYBQLTRFF-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWPGVFFASCQNT-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC1)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXGDAOQZHXJTMZ-UHFFFAOYSA-N", "SMILES:O=C(NC1CC(F)C1)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYLKEODIXROZCO-UHFFFAOYSA-N", "SMILES:O=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMWOBDICPOWMDH-UHFFFAOYSA-N", "SMILES:O=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQDYNRPFUNNOAV-UHFFFAOYSA-N", "SMILES:O=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLHYEXXRIJQQIO-UHFFFAOYSA-N", "SMILES:O=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CC(C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRAMFDBWJAUQGJ-UHFFFAOYSA-N", "SMILES:O=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CCC2(CCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGHNMFHAYYUGT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(C(=O)NC3CCC3)cc3cccnc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLFAGKNZINYZQJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(C(=O)NC3CC(F)C3)cc3cccnc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNOEYNYBZRLBA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMFIDKCXQQMJX-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1cc2cccnc2n1-c1cc(F)c(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOZDTZYMLXAHW-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC1)c1cc2cccnc2n1-c1cc(F)c(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHYZVZAIUBPCGR-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cccnc2n1-c1cc(F)c(Cl)c(F)c1)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APMVSVJFNSJVQO-UHFFFAOYSA-N", "SMILES:N#Cc1c(F)cc(-n2c(C(=O)NC3CC3)cc3cccnc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDROABKJNBRFC-UHFFFAOYSA-N", "SMILES:N#Cc1c(F)cc(-n2c(C(=O)NC3CCC3)cc3cccnc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKVHLYDKVWMQG-UHFFFAOYSA-N", "SMILES:N#Cc1c(F)cc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXRNVWPRRUTNLN-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1cc2cccnc2n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZXPWAAEESWJBV-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC1)c1cc2cccnc2n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCRFZKYJGJEMQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1cc2cccnc2n1-c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLMQXPWGLPEJIZ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC1)c1cc2cccnc2n1-c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPCDIQHRLBCBZ-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cccnc2n1-c1ccc(Cl)c(F)c1)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMXLCVILHGCKF-UHFFFAOYSA-N", "SMILES:COc1ncc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVDBEGSUSZBRM-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cccnc2n1-c1ccnc(F)c1)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBXOBSVOGRXDT-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKMKBCICWEDJF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C(=O)NC3CC3)sc3nccnc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHHKUCTVNEYON-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccccc2n1-c1ccc(Cl)c(Cl)c1)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKEKGOHYRBXEHP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C(=O)NC3CC3)n(C)c3cccnc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXLJQKVINSQNA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWLJOZOJBJOETR-UHFFFAOYSA-N", "SMILES:O=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CCCC2(CCO2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWNPBISTLEYAG-UHFFFAOYSA-N", "SMILES:O=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CCC2(CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYIGISWUVRBLH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(C(=O)N3CC(F)(F)C3)cc3cccnc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTAZZHJJQOFGPV-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cccnc2n1-c1cc(F)c(Cl)c(F)c1)N1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKYBWIYGCDFJI-UHFFFAOYSA-N", "SMILES:N#Cc1c(F)cc(-n2c(C(=O)NC3CC(F)C3)cc3cccnc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGPKFTYPUVMNK-UHFFFAOYSA-N", "SMILES:N#Cc1c(F)cc(-n2c(C(=O)NC3CC(F)(F)C3)cc3cccnc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGKQXQSQVJZGL-UHFFFAOYSA-N", "SMILES:N#Cc1c(F)cc(-n2c(C(=O)N3CC(F)(F)C3)cc3cccnc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWOXLKNLMKBUEO-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cccnc2n1-c1ccc(Cl)cc1)N1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVISHRILBQRJIP-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cccnc2n1-c1ccc(Cl)c(F)c1)N1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKPCLNRAPAYJJC-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVFNUPIGNHXQZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTFOWXOBRTYNMZ-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cccnc2n1Cc1ccc(Cl)c(Cl)c1)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGCMISJGDFTAJ-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](Nc2ncnc(N)c2-n2ncc3cc(Oc4ccccc4)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFHJHNHCXHIJQZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3cc4c(N)ncnc4cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRXVWGGIFTDLA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3cc4c(N)noc4cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUYXPVXTKPTPCA-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXPWDCZIOWICL-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nn(C)c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETXRFYMQDGGKO-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVXTBCEZNLSSX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKAATRCINOZBFK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNUCWWJSWODIX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)n[nH]c(=O)c43)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMQNJXWWILDNQ-HDICACEKSA-N", "SMILES:C=CC(=O)N[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWPQFSVXRQUHO-QRWMCTBCSA-N", "SMILES:C=CC(=O)NC1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVSSOJIQVFARM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILAGXMMWKPUVGY-JXMROGBWSA-N", "SMILES:CN(C)C/C=C/C(=O)N(C)CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFDBUQFSYVPGGK-QGZVFWFLSA-N", "SMILES:C=CS(=O)(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWODQVAGGMKWTP-WUTDNEBXSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQOJNEYHROIYAN-FSNDINTDSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)/C=C/CN2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTZLORGLUSWTJ-LSSXRZCCSA-N", "SMILES:N#C/C(=C\\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDXBASYHBERCR-GOSISDBHSA-N", "SMILES:CC#CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHMVMKIRPRSJS-UHFFFAOYSA-N", "SMILES:COc1cccc2c1c1c(n2Cc2ccc(Cl)cc2)C(C(=O)O)=NCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETUJLZELRHHIS-UHFFFAOYSA-N", "SMILES:COc1cccc2c1c1c(n2Cc2ccc(Cl)cc2)C(C)=NCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMUEFRMPPZYOH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(C)=NCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAUJWWSLMLHKTH-SVBPBHIXSA-N", "SMILES:CCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYLBGIGZAKKCR-NSOVKSMOSA-N", "SMILES:CCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXYKHMDLOCMIZ-DQEYMECFSA-N", "SMILES:CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(N)=S)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFBXUFQUWTCPY-SVBPBHIXSA-N", "SMILES:CCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYHGXCPJHDDDO-VMPREFPWSA-N", "SMILES:CCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTQRDUWOAWRPG-SVBPBHIXSA-N", "SMILES:CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPSOLJHNIUREQ-UIOOFZCWSA-N", "SMILES:CNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWCUJGVCFBYBP-SVBPBHIXSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUMLCIACRNNHJ-DZUOILHNSA-N", "SMILES:CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKZKFZLZTLQEGA-KRCBVYEFSA-N", "SMILES:CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVNEFKPPLKPGB-NRFANRHFSA-N", "SMILES:CCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LETAQOHCMIQCOG-UHFFFAOYSA-N", "SMILES:Cc1cc[n+](C)c(/C=N/O)c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAWLTHGWAQSMJP-UHFFFAOYSA-N", "SMILES:Cc1cccc(/C=N/O)[n+]1C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIVYMEGUEKLMAW-UHFFFAOYSA-N", "SMILES:Cc1ccc(/C=N/O)[n+](C)c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJVLVUPDVUSMA-UONOGXRCSA-N", "SMILES:C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNWZTSMOSQWFC-UONOGXRCSA-N", "SMILES:CCC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJVLVUPDVUSMA-KGLIPLIRSA-N", "SMILES:C=CC(=O)N[C@@H]1COC[C@@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJEPTYCBAHFMAA-LSDHHAIUSA-N", "SMILES:C=CC(=O)N[C@H]1CCC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZXXKUVQQOCKPB-KGLIPLIRSA-N", "SMILES:C=CS(=O)(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTKBTMUUWJPQPW-DLBZAZTESA-N", "SMILES:C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZGOHFREJPYORJ-RBUKOAKNSA-N", "SMILES:C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3cc(OC)cc(OC)c3)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTUBCFDOXDZIL-ZWKOTPCHSA-N", "SMILES:C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(C)c(OC)cc(OC)c3C)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSKWUEAQZZDBSQ-UONOGXRCSA-N", "SMILES:C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(F)c(OC)cc(OC)c3F)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLONVLGYKLABHO-UONOGXRCSA-N", "SMILES:C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(F)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSFVDXLKQNKHW-WIKFVNKQSA-N", "SMILES:C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=CC(=O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONNMYGQNWFSCN-ZFKIFIAYSA-N", "SMILES:C#CCCNC(=O)[C@H]1[C@@H]2[C@@]3(C)C(=O)C=C[C@@]2(OC3=O)[C@@H]2CC[C@]3(O)C[C@@]21CC3=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232952", "category": ["biolink:ChemicalEntity"], "name": "GIBBERELLIN A3", "xref": ["InChIKey:IXORZMNAPKEEDV-OBDJNFEBSA-N", "SMILES:C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2359602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFYWTLQMNWNCFH-WCZJQEMASA-N", "SMILES:C=C1C[C@]23C[C@@]1(O)CC[C@@H]2c1cccc(C)c1[C@@H]3C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL282567", "category": ["biolink:ChemicalEntity"], "name": "PROADIFEN", "xref": ["InChIKey:SNTQPLDRUZOSDP-UHFFFAOYSA-N", "SMILES:CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1"], "synonym": ["Proadifen", "Proadifene", "Proadifeno"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL101168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXKHYLLVKZPKE-UHFFFAOYSA-N", "SMILES:Nn1nnc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4785336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMVFFAULGCHBCX-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(C)(=O)=Nc1ccc2c(c1)CN(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHXANIGECPNEQE-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(N=S(C)(=Nc3ccccc3)c3ccccc3)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHSLKZEGGYPMG-UHFFFAOYSA-N", "SMILES:CN=S(C)(=Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMYUHXVBLMLNOE-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(N=S(C)(=N)c3ccccc3)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZDYWTRPAXOUIR-QFIPXVFZSA-N", "SMILES:CN1Cc2cc(N=[S@@](C)(=O)c3ccccc3)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLLLJJYBWLGHW-CIZVZKTGSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O"], "synonym": ["MRS-5698"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFSPMXSTBOTSN-KSVNGYGVSA-N", "SMILES:CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZEOUDCZNWYPNQ-BNVVKXJLSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#C[C@@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVAIUXGEZUTKDN-KSVNGYGVSA-N", "SMILES:CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNLORVIDSBNMJS-MOROJQBDSA-N", "SMILES:CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(F)s4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWPOCMUWBQOIFX-KSVNGYGVSA-N", "SMILES:CCCNc1nc(C#Cc2ccc(F)s2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOXPDRZFJUMWPE-YWNJHDJRSA-N", "SMILES:CCCNc1nc(C#Cc2ccc(F)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOXIPFXPBCNFCC-RUZZFIIFSA-N", "SMILES:CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTSSGMWKEDEGAV-MOROJQBDSA-N", "SMILES:CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXFKKWTNMXWEC-CYJAXWMASA-N", "SMILES:CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)cc(C#Cc4ccc(F)s4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHRWVXZCSCFZGP-QDEZUTFSSA-N", "SMILES:CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@@H]1O[C@H](C(=O)OC)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRLDLXSIQAXQX-AQPYCOETSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHVINIPOZHZOAS-NEWQXWLQSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)cc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSNTXJTVVMUBFR-RQEHDQILSA-N", "SMILES:CCNc1cc(C#Cc2ccc(F)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGIESUIHAXUKG-RQEHDQILSA-N", "SMILES:CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)cc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"name": "Adenosine receptor A3", "xref": ["CHEMBL.TARGET:CHEMBL1075269"], "id": "UniProtKB:Q61618", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIRNPZMJVDKGMF-UXUGMQHLSA-N", "SMILES:CCCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDWVNNYXONUCC-YWNJHDJRSA-N", "SMILES:CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEWTVCBLKZYMV-NEWQXWLQSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)cc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTTFXWQRYRYGNI-RQEHDQILSA-N", "SMILES:CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFUSEKOQJBWKN-NETOACFBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAJFZWKRKQTSRH-NETOACFBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CN)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFZXCHMAENZOST-NETOACFBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDZQPKRRPVPMCL-NETOACFBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCNC(=N)N)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAWHKBYGNKZHT-NETOACFBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKOVWQTFADIDL-BUXPKPHFSA-N", "SMILES:CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQMVJLVQNQWOE-JHGMFKEXSA-N", "SMILES:C[C@@H]1NC(=O)CN(CCN)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYCVECHDUDQVRT-NETOACFBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CN(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTXJLSBIKUVQB-NETOACFBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCNC(=N)N)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYZSBZSOEVDVQW-BUXPKPHFSA-N", "SMILES:CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CN)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLJTMLYPHXJPM-NETOACFBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CN(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKQTEXYJKPBQD-GNDHHEKASA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL163117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMLGUKKNNZUWAE-YUPRTTJUSA-N", "SMILES:N[C@H]1C[C@@H](C(=O)O)C[C@@H]1F"]}
{"name": "4-aminobutyrate aminotransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2266"], "id": "UniProtKB:P80147", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNQWWQSPJIUPN-WHFBIAKZSA-N", "SMILES:N[C@H]1C=C(C(=O)O)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFDDAGGJVNDFS-WHFBIAKZSA-N", "SMILES:N[C@H]1C=C(C(=O)O)C[C@@H]1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPJWGPZLYRDOAE-WHFBIAKZSA-N", "SMILES:N[C@H]1C=C(C(=O)O)C[C@@H]1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL146927", "category": ["biolink:ChemicalEntity"], "name": "CPP-115 FREE BASE", "xref": ["InChIKey:CBSRETZPFOBWNG-UCORVYFPSA-N", "SMILES:N[C@H]1C[C@@H](C(=O)O)CC1=C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBLNZOCTNRXJQD-YFKPBYRVSA-N", "SMILES:N[C@H]1C=C(C(=O)O)CC1=C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVJKSJKBVZSPPJ-LMONUYQQSA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC(O)CCNC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDKZOUNFAZVBP-DZNWXHPMSA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC[C@H]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUAGVHSWKPRGFP-JTHBVZDNSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@@H]21)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUAGVHSWKPRGFP-GMAHTHKFSA-N", "SMILES:O=C(NCCCCN1CCO[C@H]2c3cc(O)ccc3OC[C@@H]21)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOILXOMTHPUMRG-JSGCOSHPSA-N", "SMILES:CCCN1CCO[C@H]2c3cc(O)ccc3OC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBHQHNVJCDNEL-SLHLXQHXSA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1C[C@H]1C[C@@H]1CCNC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJJAHCEXFSNLR-OLRMBKCESA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULGQKLQPRYULA-QETJVHQUSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULGQKLQPRYULA-JPGHCDCTSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSYZNYLDEKVZQB-IOLZMQDASA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2C3CO[C@H]4OC[C@@H]2C4C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYGLJUQXAJIDH-NSBJYXQISA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1C2CO[C@H]3OC[C@@H]1C3C2)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXIDFSHRKSOSE-ABPHVXMKSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1C2CO[C@H]3OC[C@@H]1C3C2)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDFWTUGFCVLPRW-CIAZQZGBSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C[C@H]1C2CO[C@H]3OC[C@@H]1C3C2)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIDILPVWAKBKE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVFPAIGVBQGET-UHFFFAOYSA-N", "SMILES:CN1CCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL21531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKANCZCEGQDKGF-UHFFFAOYSA-N", "SMILES:CN1CCCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUWRHPMUVYFOD-UHFFFAOYSA-N", "SMILES:CN1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLXOHWLGZMRLRM-UHFFFAOYSA-N", "SMILES:CN1CCCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDHZKQYHDFALD-UHFFFAOYSA-N", "SMILES:CN1CC=CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAYNRPBUUNUSJY-UHFFFAOYSA-N", "SMILES:CC1=CC(O)CN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQANGXXSEABURG-UHFFFAOYSA-N", "SMILES:OC1C=CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHVWAXHWELFEAT-UHFFFAOYSA-N", "SMILES:OC1C=CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCQGIHOWTNYUJH-UHFFFAOYSA-N", "SMILES:CCCN1CC=CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPZIRLVUXFELS-UHFFFAOYSA-N", "SMILES:OC1C=CCN(C2CCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLQFCKBSTGMWFY-UHFFFAOYSA-N", "SMILES:OC1C=CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYPTCYBUQCKHZ-UHFFFAOYSA-M", "SMILES:C[N+]1(C)CC=CC(O)C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDHZKQYHDFALD-ZCFIWIBFSA-N", "SMILES:CN1CC=C[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDHZKQYHDFALD-RAMDWTOOSA-N", "SMILES:[2H]C1(O)C=CCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERULMRLVCAUSP-CZHRELSKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@]1(C)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBRMPZYESUSSS-IRXBCJGUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVUZBYDIXUMDGY-WVEXBLHFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJFXPYHOEPYPDJ-XKXMRCLOSA-N", "SMILES:CCCC[C@H]1NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTDVDZQIPNJOX-RDKCIOOLSA-N", "SMILES:CCCC[C@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEJVOIFZGAJOMM-NMJCRLIISA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@@H](CC2CCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNNDDLCLXFIAF-XVPUUEGOSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKMNUCBQGHFICM-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHOBPVRRPCTLG-SETSBSEESA-N", "SMILES:COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEAVKDCRHLEQNS-INIZCTEOSA-N", "SMILES:O=C(c1nccc2[nH]cnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAATXFVQEMAHDA-SFHVURJKSA-N", "SMILES:O=C(c1cccn2ccnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIEFEDOEWSOKJT-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-c1cccs1)N1C2CCC1C(COc1ccc(F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNSBFXNNFNCHOW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNSBFXNNFNCHOW-WDYCEAGBSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2[C@@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRBUHJGYQFSDU-UHFFFAOYSA-N", "SMILES:O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKSFERSMQSQZQP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUYEVUFAVZURZ-UHFFFAOYSA-N", "SMILES:O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGJDXEJAXMDTDU-UAGQMJEPSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2[C@@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPNVMISESJDLQJ-BBWFWOEESA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2[C@@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4107773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKBJARZMMUKHBI-SCTDSRPQSA-N", "SMILES:Cc1ccc(-c2ncccn2)c(C(=O)N2[C@@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZULIUMQOQFAC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(F)(F)F)cn2)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3663505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZPNPFZMMODXQJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(Cl)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3663490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORXOPBYJPVESQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3663481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIVMVPNFNDQFRD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3663515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXVOANJOHGOYDU-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3663477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWIILUUJMRMOZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4115403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWIILUUJMRMOZ-XPKDYRNWSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1[C@@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INBVGVYJGNXKID-XYPHTWIQSA-N", "SMILES:O=C(c1ccccc1-c1ncccn1)N1[C@@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGAVWGGVVYYFU-WQVCFCJDSA-N", "SMILES:O=C(c1c(F)cccc1-c1ncccn1)N1[C@@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIOLWNKABYNAOW-XYPHTWIQSA-N", "SMILES:O=C(c1cc(F)ccc1-c1ncccn1)N1[C@@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQHMTUDGQPMMX-XYPHTWIQSA-N", "SMILES:O=C(c1ccc(F)cc1-c1ncccn1)N1[C@@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUAUSABGZEYEW-WQVCFCJDSA-N", "SMILES:O=C(c1cccc(F)c1-c1ncccn1)N1[C@@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4113266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCUQVJRZGYIDS-OLMNPRSZSA-N", "SMILES:O=C(c1cccc(F)c1-c1ncccn1)N1[C@@H]2CC[C@H]1[C@H](Nc1ccc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDRBQQPLBCKTIO-XWIAVFTESA-N", "SMILES:O=C(c1cccc(F)c1-c1ncccn1)N1[C@@H]2CC[C@H]1[C@H](Nc1ncc(C(F)(F)F)cc1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQOGXRJHFIGAB-XWIAVFTESA-N", "SMILES:O=C(c1cccc(F)c1-c1ncccn1)N1[C@@H]2CC[C@H]1[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBDWANXRUPESE-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDXQIUMQYDLCQ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1cnc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPUDTUWRAHVTMS-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGUQKENDSNDQRE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CC(=O)NC(C)C)CC3)nc12"]}
{"name": "2-hydroxyacylsphingosine 1-beta-galactosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4739855"], "id": "UniProtKB:Q16880", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKUWHUUWSGWNGS-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)CN1CCN(c2cc(C(F)(F)F)c3scc(C(=O)N4CCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQDTXBRXKOWXML-UHFFFAOYSA-N", "SMILES:CCC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CC(=O)NC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQBZQHVJNXTMMU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(C(C)C(=O)NC4CC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWUHYYGOVWCEU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(C(=O)COC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXWTTOMOYQSIM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CC(=O)C(C)(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRUJRNOLSVDMR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CCOC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYBJFEVUVOJYBE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CC(O)COC(C)(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMVSGHHPNCQHG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)NC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYIOQOMDPZXYML-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)NCC4CC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSRZLHAFUVUXRZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(NC(=O)OCC4CC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLRRWUJMBEGDQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)NCC4CC4)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLCCZXZLRVJZTR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC(NC(=O)OCC4CC4)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHDQYYXVCEFMV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC(OC(=O)NCC4CC4)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJAEZBFIIRRPY-NSHDSACASA-N", "SMILES:CC[C@H](C)NC(=O)OC1CCN(c2cc(C(F)(F)F)c3scc(C(=O)NC)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAHVGOBOSRJIBA-NSHDSACASA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)N[C@@H](C)C4CC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJDTGLKXUPVFE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)NCCOC(F)(F)F)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQQUABVWYAPTIQ-JTQLQIEISA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)N[C@@H](C)COC(F)(F)F)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNTYYGEYYKNLL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)N4CC(OC(F)(F)F)C4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUIYSCSBRNKXIC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)NCCN4CCCC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREGRCIAYPRPNU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)N4CC(CN(C)C)C4)CC3)nc12"]}
{"name": "2-hydroxyacylsphingosine 1-beta-galactosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4739858"], "id": "UniProtKB:Q64676", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHCIMXUFBNRJO-UHFFFAOYSA-N", "SMILES:Cc1c(C)n(C(=O)c2ccc(O)c(C#N)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLYAIUKWXAJJW-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCc3ccccc32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQTKJLHIUMYJQF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCc3ccccc32)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVSZQNBTNQVEC-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCc3ccccc32)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLXVEZRJKJEBO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(=O)N2CCc3ccccc32)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDFVKHYGGMVVKO-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCc3ccccc32)cc(C2CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPGACRWGWQVLCF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCc3ccccc32)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJNASESSRLKUIE-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc(C2CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMYHQWPKHSCITJ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CSc3ccccc32)cc(C(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNEDCBOGKQHRHD-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCQMWGDTFSQEL-UHFFFAOYSA-N", "SMILES:C#Cc1cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBCRKZJEEDTVFK-UHFFFAOYSA-N", "SMILES:CSc1cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXBSMVVNURIFG-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)c(O)c(C(F)(F)F)c1)N1CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZCJZFMISVUCZ-UHFFFAOYSA-N", "SMILES:O=C(c1cc(F)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTDNIIPBZKOONK-UHFFFAOYSA-N", "SMILES:CSc1cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHNOOWVYFIYSGN-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc(C(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGDJFJSYIAKEMJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWWNMURYVSKGPI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCc3ccccc32)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDEQYVRGNYQXNY-UHFFFAOYSA-N", "SMILES:CSc1cc(C(=O)N2CCc3ccccc32)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RENRDHHKHOXQNK-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCc3ccccc32)cc(C(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHUSRJSYQNJEFQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXASWJRFPUFOH-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEXBXMFVRKZOOZ-UHFFFAOYSA-N", "SMILES:CCc1oc2cc(O)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUJKERUFRDZALE-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3n2CCCN3CCc2c[nH]c3ccccc23)n(C)c1=O"]}
{"name": "N-arachidonyl glycine receptor", "xref": ["CHEMBL.TARGET:CHEMBL2384898"], "id": "UniProtKB:Q14330", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKPHBCFXKXEQEO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3n2CCCCN3CCc2c[nH]c3ccccc23)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZZJVXUQAQOAR-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3n2CCN3CCc2c[nH]c3ccccc23)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGBZNMAPVUOBQQ-UHFFFAOYSA-N", "SMILES:COCCN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAYNZVIQOHKUQO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLSRPDHLJOJFO-IZZNHLLZSA-N", "SMILES:C=CC(=O)Nc1cccc([C@@H](CCc2ccc(OC)c(OC)c2)OC(=O)[C@@H]2CCCCN2C(=O)C(C)(C)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCBPOVXVKIHGJ-IZZNHLLZSA-N", "SMILES:CCC(=O)Nc1cccc([C@@H](CCc2ccc(OC)c(OC)c2)OC(=O)[C@@H]2CCCCN2C(=O)C(C)(C)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCOZIXCTOPZLZ-IZZNHLLZSA-N", "SMILES:C=CC(=O)Nc1ccccc1[C@@H](CCc1ccc(OC)c(OC)c1)OC(=O)[C@@H]1CCCCN1C(=O)C(C)(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCACBTJXWDIKBQ-IZZNHLLZSA-N", "SMILES:C=CC(=O)Nc1ccc([C@@H](CCc2ccc(OC)c(OC)c2)OC(=O)[C@@H]2CCCCN2C(=O)C(C)(C)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIEHNSVYZQAEOR-BJKOFHAPSA-N", "SMILES:CCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKFVOLBIGMYOBX-LOSJGSFVSA-N", "SMILES:CCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWPDVBZAYPJAL-WUFINQPMSA-N", "SMILES:C=CC(=O)Nc1cccc([C@@H](CCc2ccc(OC)c(OC)c2)OC(=O)[C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIYCVIRVCHVKKK-WUFINQPMSA-N", "SMILES:C=CC(=O)Nc1ccccc1[C@@H](CCc1ccc(OC)c(OC)c1)OC(=O)[C@@H]1CCCCN1C(=O)c1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSJVGSYCCVIXJC-LOSJGSFVSA-N", "SMILES:C=CC(=O)NCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZOSHULXUQTFGN-LOSJGSFVSA-N", "SMILES:CCC(=O)NCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGSIBJYYNFYNB-LOSJGSFVSA-N", "SMILES:C=CC(=O)OCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPKIRIQCAJVZNH-LOSJGSFVSA-N", "SMILES:CCC(=O)OCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTGICDUHDWHDD-LOSJGSFVSA-N", "SMILES:C=CC(=O)NCCCN1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMJFFXIIPTPFU-IZZNHLLZSA-N", "SMILES:C=CC(=O)NCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCXKRUBAKVOSQ-WUFINQPMSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJDNOPYRBETQL-URLMMPGGSA-N", "SMILES:C=CC(=O)Nc1cc(OC)ccc1C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXNUJLZGQCLNN-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccc(OCc2ccnc(NS(C)(=O)=O)n2)cc1)c1cc(Cl)c(OCCCl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJCDBPBBCCDHP-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccc(OCc2cnc(Cl)o2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDVKFBBNOPEBU-UHFFFAOYSA-N", "SMILES:CSc1nc(C)c(COc2ccc(C(C)(C)c3cc(Cl)c(OCCCl)c(C#N)c3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMINSZZIGELKG-UHFFFAOYSA-N", "SMILES:Cc1cnc(NS(C)(=O)=O)nc1COc1ccc(C(C)(C)c2cc(Cl)c(OCCCl)c(C#N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUIDHINDYFYIR-UHFFFAOYSA-N", "SMILES:Cc1nc(NS(C)(=O)=O)nc(COc2ccc(C(C)(C)c3cc(Cl)c(OCCCl)c(C#N)c3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYICTYGIGSQMC-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1nc(COc2ccc(C(C)(C)c3cc(Cl)c(OCCCl)c(C#N)c3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVHPDDHMDEWSN-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)Nc1nc(COc2ccc(C(C)(C)c3cc(Cl)c(OCCCl)c(C#N)c3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSFHWMYCPZPWSV-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccc(OCc2cnc(NS(C)(=O)=O)o2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMNAGRQSAZXDRY-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccc(OCc2ncc(NS(C)(=O)=O)s2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKHMEYKSLQQEH-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccc(OCc2nc(NS(C)(=O)=O)cs2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBJSEFNNSAKJA-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccc(OCc2cnc(NS(C)(=O)=O)nc2)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUYNHXWHGKQBFJ-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccc(OCc2ccnc(NS(C)(=O)=O)n2)cc1)c1cc(F)c(OCCCl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTLGNUGAWXKOX-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(=O)O)cc(-c3ccc(-c4ccccc4)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPDTBKKVUVTMZ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(=O)O)cc(-c3ccc(-c4ccc(O)cc4)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTIFTJVCAIDRY-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc(C(=O)O)c4nc(C)[nH]c4c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGEWTMPRFCNVJT-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(=O)O)cc(-c3ccc(-c4ccccc4CN4CCCC4)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNOVWEWVRXDXCS-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(=O)O)cc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCCYGXHWOBKES-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(=O)O)cc(-c3c(F)c(F)c(-c4ccc(CN5CCCC(F)(F)C5)cc4)c(F)c3F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGQXQKIHZBOQK-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(=O)O)cc(-c3c(F)c(F)c(-c4ccc(CN5CCOCC5)cc4)c(F)c3F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFEWZJDIIOWZHG-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(=O)O)cc(-c3ccc(-n4c(C)ccc4C)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLORHUPGWHWSQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4cc(Cl)cc(Cl)c4)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRSQQZRNHUSMGJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4cncc(C#N)c4)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYRNUHJXUMCEDN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4cccc(C#N)c4)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUVAPSDLIBFIC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(OC(F)(F)F)nc4)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSULVYXXDWWSL-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(NCc3ccc(N4CCN(C(C)=O)CC4)cc3)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHUGSZHWFKIBC-UHFFFAOYSA-N", "SMILES:COc1cc(COc2ccc(NCc3ccc(N4CCN(C(C)=O)CC4)cc3)nn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNIJAFULTZUTOK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2ccc(CNc3ccc(OCc4ccccc4)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVVLAKOWICJTP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OCCC(F)(F)F)n1)c1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRMZCHFPHKPAS-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NCCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGLJRVRAKONHK-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXWMPFCFUDTPD-QGZVFWFLSA-N", "SMILES:C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXWMPFCFUDTPD-KRWDZBQOSA-N", "SMILES:C[C@@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSYXMYRVJLELTH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAIOQORXCTCRG-LGKHCZOZSA-N", "SMILES:CNS(=O)(=O)N[C@H]1C[C@@H](C)N(C(=O)OC)[C@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWXJDASJLKIBW-RXUQYVRZSA-N", "SMILES:CNS(=O)(=O)N[C@H]1C[C@@H](C)N(C(=O)OC)[C@H]1CO[C@H]1CC[C@@H](c2cc(F)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWYHWRAYIPYKI-XEGUMIITSA-N", "SMILES:CNS(=O)(=O)N[C@H]1C[C@@H](C)N(C(=O)OC)[C@H]1CO[C@H]1CC[C@@H](c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHRJIMCGSWJED-XEGUMIITSA-N", "SMILES:COC(=O)N1[C@H](C)C[C@H](NS(=O)(=O)NCF)[C@@H]1CO[C@H]1CC[C@@H](c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCBPPQSWQSLSW-QANQIFJLSA-N", "SMILES:COC(=O)N1[C@H](C)C[C@H](NS(=O)(=O)N(C)C)[C@@H]1CO[C@H]1CC[C@@H](c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCBPPQSWQSLSW-QQQLQBHZSA-N", "SMILES:[2H][C@@H]1C[C@@H](OC[C@H]2[C@@H](NS(=O)(=O)N(C)C)C[C@@H](C)N2C(=O)OC)CC[C@@]1([2H])c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQLWGNDNRARGE-HAXSNHTFSA-N", "SMILES:[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])[C@H]1C[C@H](O)[C@H](CC(C)C)CN1CC2"]}
{"name": "Synaptic vesicular amine transporter", "xref": ["CHEMBL.TARGET:CHEMBL4828"], "id": "UniProtKB:Q01827", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQLWGNDNRARGE-CNKZGOAESA-N", "SMILES:[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])[C@H]1C[C@@H](O)[C@H](CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576222", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROTETRABENAZINE", "xref": ["InChIKey:WEQLWGNDNRARGE-DJIMGWMZSA-N", "SMILES:COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@H](CC(C)C)CN1CC2"], "synonym": ["(+)-dihydrotetrabenzaine", "Dihydrotetrabenazine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPHPRWCGGJGIHI-WGQQHEPDSA-N", "SMILES:COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)(C)O)[C@H](CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVOOQJRDWVOAR-GCZGVDRJSA-N", "SMILES:C[C@@H]1CC(C)(C)Nc2c(C(=O)NC/C=C/S(C)(=O)=O)cccc21"]}
{"name": "Polyprotein P1234", "xref": ["CHEMBL.TARGET:CHEMBL4739846"], "id": "UniProtKB:P27282", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11038"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBMNHXGTUOHCJ-LXKVQUBZSA-N", "SMILES:CC1=CC(C)(C)Nc2c(C(=O)N[C@@H](C)/C=C/S(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJDFGLUSZGAQO-GBYBRZQVSA-N", "SMILES:C[C@@H]1CC(C)(C)Nc2c(C(=O)N[C@@H](C)/C=C/S(C)(=O)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOBSDZMBTZNKEO-JFHPUIQFSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBPFTQDXXYNJM-XWHIBYANSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNCCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURKWUJZPMAMQP-JFHPUIQFSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOJYYMJQSCNIGX-HXBJCGEWSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJZJJRRSCESJJ-XWHIBYANSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNCC1(c2ccccc2)CC1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOIBSULBOVSGG-XWHIBYANSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNCC(C)(C)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNUAOHXXLPJNS-WSBJUXMFSA-N", "SMILES:CCC(CNCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIXVIHRKYGICQ-NAAWPRQVSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@@H](C)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785966", "category": ["biolink:ChemicalEntity"], "name": "RIMINKEFON", "xref": ["InChIKey:AYIXVIHRKYGICQ-LHJVHYEPSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@H](C)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1"], "synonym": ["Riminkefon", "Riminkefon", "Riminkefon"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXUBDQIODFXNH-YFRBGRBWSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@@H](c1ccccc1)C(C)C)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POEKRJYEMCDIMO-SPYAMJAOSA-N", "SMILES:CNC(=O)NC1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC[C@H](C)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJPJPXKCNBEKE-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nc(N3CCOCC3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUNVDUQVBNYGNC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2nc(N3CCOCC3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBQRYXRRVEUIM-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1190965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCHXFXRXKOQKH-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZFHNFKWMIMHFX-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTVOVEMRVXESBK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYVQFCARDPEHSX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKNSTAYWJWSLL-UHFFFAOYSA-N", "SMILES:N=C(N)NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTUWNADHLKBGM-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILKMPLAYMUEVEB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccccn1)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYGRDECKEIJMQD-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ncccn1)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNADWWNEWHGSQV-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHIFDUYSGVHVCI-UHFFFAOYSA-N", "SMILES:O=C(NCCO)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRBWQVLDGMRDIL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMQPEMPUKTYEW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CO)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLXXUETXNSWMCI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CO)c1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYJSVCXTQGJEE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CCO)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHRPUFCHIWNIJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWSDTAIPOLGKG-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIPLESZYAYBOPC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQIPIOFNXTKIE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVAQIONRRRLOQR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWGPZWLODPZJX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRROUSWLRXFGQL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPXZUFMUVSDNTH-UHFFFAOYSA-N", "SMILES:N=C(N)NS(=O)(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWWEOOVJREFIM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PROUHMJIHSECPQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PASGTYNZVIEYTN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOOWBCZAJNRUQK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHZEQXLMHHTIA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODYMXSYUQAKADX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYBREBDFXCUMA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncnc1)Nc1nc(N2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKIYLZCBGIIJHU-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYRUXDOABIPFCX-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IISSNOXIKRDDLM-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHDZYRRJGYTTD-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCOCCOCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRVGHTZHZKNZGQ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCOCCOCCOCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTWDZUHQHUONL-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCOCCn3cc(CN4C(=O)N(C)c5ccc(-c6c(C)noc6C)cc5C4c4ccccc4)nn3)nn1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYFMPSAYNRFWOG-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCOCCOCCOCCn3cc(CN4C(=O)N(C)c5ccc(-c6c(C)noc6C)cc5C4c4ccccc4)nn3)nn1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYBISCCKSRXNHB-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCn3cc(CN4C(=O)Nc5ccc(-c6c(C)noc6C)cc5C4c4ccccc4)nn3)nn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRALMJWAJGDLR-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCOCCOCCOCCn3cc(CN4C(=O)Nc5ccc(-c6c(C)noc6C)cc5C4c4ccccc4)nn3)nn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZZXZIZZQNVEBS-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCOCCOCCn3cc(CN4C(=O)Nc5ccc(-c6c(C)noc6C)cc5C4c4ccccc4)nn3)nn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTFHEPOCATUHY-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCOCCn3cc(CN4C(=O)Nc5ccc(-c6c(C)noc6C)cc5C4c4ccccc4)nn3)nn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUOIBQXGQTLAF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCCCCCn3cc(CN4C(=O)Nc5ccc(-c6c(C)noc6C)cc5C4c4ccccc4)nn3)nn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBRDTMFVAACDR-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)NC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3987016", "category": ["biolink:ChemicalEntity"], "name": "MIVEBRESIB", "xref": ["InChIKey:RDONXGFGWSSFMY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1"], "synonym": ["Mivebresib", "Abbv-075", "Mivebresib", "ABBV-075", "ABBV075", "Mivebresib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUXRCDIARSCJM-LJQANCHMSA-N", "SMILES:CC[C@@H]1C(=O)Nc2ccc(-c3c(C)noc3C)cc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMZWYLOARVASY-NTCAYCPXSA-N", "SMILES:CN(C)C(=O)/C(C#N)=C/c1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMMQTOXCKHRNO-LSWMGQQCSA-N", "SMILES:CN(C)/C(OCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)=C(\\C#N)C(O)c1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)o1"]}
{"name": "Excitatory amino acid transporter 4", "xref": ["CHEMBL.TARGET:CHEMBL3700"], "id": "UniProtKB:O35921", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZPVYWKWFZZYRV-APTPAJQOSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2ccc3ccc(CO[C@H](C(=O)O)[C@H](N)C(=O)O)cc32)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMPFGBKJPICYPD-VROPFNGYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(-c3ccsc3)c3ccc(CO[C@H](C(=O)O)[C@H](N)C(=O)O)cc32)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPZVYMQZPGMBN-UKOKCHKQSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccc(CO[C@H](C(=O)O)[C@H](N)C(=O)O)cc32)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFTYWHNQILZJM-UKOKCHKQSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(-c3ccc(C(F)(F)F)cc3)c3ccc(CO[C@H](C(=O)O)[C@H](N)C(=O)O)cc32)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVYGTIPJNGNRD-IUCAKERBSA-N", "SMILES:N[C@H](C(=O)O)[C@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYIZCAVXFLWSZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCc1cccc(O)c1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4793235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXOFHPRMSFZIL-JQIJEIRASA-N", "SMILES:CCCCCCCCCCCCC/C=C/c1cccc(O)c1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXVOXJVVBSHRC-WYMLVPIESA-N", "SMILES:CCCCCCCCCCC/C=C/c1cccc(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIFGLVDIJRHRJY-ZRDIBKRKSA-N", "SMILES:CCCCCCCCC/C=C/c1cccc(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMHRKZWASUUCJ-LSCFUAHRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCC23CCNCC3)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDZQEMICWJXQW-ZGOQAQPGSA-N", "SMILES:NCC[C@H]1CCCN1C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDZQEMICWJXQW-UOYPZJKHSA-N", "SMILES:NCC[C@@H]1CCCN1C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERIOYBALRXMSF-ATNYBXOESA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H](CN2CCCC23CCNCC3)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJBWICUCTXANPU-YKTARERQSA-N", "SMILES:CN1CCC2(CCCN2C[C@H]2O[C@@H](n3ccc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVPGYMGERDXLH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUDCZAJYSINQGK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPDFZAZMGIWJL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRAULDQNWSWIBM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJOGTHYNDRIEQN-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHILHVVZQGWIU-BJMVGYQFSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFXGQMFHWAYOV-OVCLIPMQSA-N", "SMILES:CC1NC(=O)NC1CCCCCC(=O)NCCOCCOCCOCCNC(=O)CCN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADRIIWGHYFWPP-WEVVVXLNSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3nccc(-c4cccnc4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFFLDOJXQAJPF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLIMCJGCLWSQFX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3c(c2)CC(=O)N3)cc2c1C(=O)N(C(C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQBIVFDCRVRFZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]c(=O)ccc3c2)cc2c1C(=O)N(C(C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFBGJECPUFJWSG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]nnc3c2)cc2c1C(=O)N(C(C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEQQBSJLNGSILA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]ncc3c2)cc2c1C(=O)N(C(C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMFTPDTOHEBIO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3cn[nH]c3c2)cc2c1C(=O)N(C(C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEQQBSJLNGSILA-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2cnc3[nH]ncc3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBGUTRMWAVMBNN-NSHDSACASA-N", "SMILES:Cc1cc(-c2cnc3[nH]ncc3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVTDJJBBJMGGAQ-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2cnc3[nH]ccc3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTAYAKAKARNFJC-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]nc(-c4ccncc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMCCTUGKELKLJP-INIZCTEOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMCCTUGKELKLJP-MRXNPFEDSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc2c1C(=O)N([C@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCFASZAYYPQAQT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc2c1C(=O)N(C(C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJFUKNZNPZTGU-INIZCTEOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccccn4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDEBSZUGORXLLQ-KRWDZBQOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(C)(C)O)nc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLSGBDYZGYJFSD-KRWDZBQOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C#N)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDWJMNIZTFKBIL-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccnc(N)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRCJCRABMDXKOI-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccnc(C(F)(F)F)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBUHDDJXWUQAMB-INIZCTEOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccn(C)c(=O)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDKAXAADSVBLA-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJEBOLHRGBOYJN-MYJWUSKBSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(C4CCNC4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYAAFPYKBXXNET-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(C(=O)O)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXBFIMAUNMOGY-INIZCTEOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(C(=O)Nc4ccncc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHDTBHFWDCDDF-INIZCTEOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(C(=O)NC4CCOCC4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZKDMDNRTOJWNA-INIZCTEOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLAPKOLJPJKBA-KRWDZBQOSA-N", "SMILES:Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)cc23)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBRJVUJJZPTCH-SFHVURJKSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(C(C)C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUOJJRVJEJQVFA-KRWDZBQOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(C5CC5)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGYWHESNJLSJPT-SFHVURJKSA-N", "SMILES:Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)cc23)cc(C)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQJXYYPRJPPTAP-SFHVURJKSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4cc(C)c(C(=O)O)c(C5CC5)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRSSTUNNJNVIK-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(F)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDPNIWFGJCOTN-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(C(F)(F)F)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKLMTKOKYKCRDZ-INIZCTEOSA-N", "SMILES:COc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)cc23)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVJAMVHRLOSLV-IBGZPJMESA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(N5CCCC5)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANCACHZLHRCMR-INIZCTEOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4cccc(C(=O)O)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPVUGQPVGJHADN-KRWDZBQOSA-N", "SMILES:Cc1ccc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)cc23)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHZDHXCSQLCYPB-INIZCTEOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccccc4C(=O)O)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCAIGYSNGUQZOI-INIZCTEOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXAYVDUNAMGXAL-INIZCTEOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(S(N)(=O)=O)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEGDCHYZFNUKU-DEOSSOPVSA-N", "SMILES:CC[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5ccncc5)c4c3)cc(C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTQJMYMYXFMRV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc2c1C(=O)N(C(C1CC1)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXWQHZFLDNAKH-INIZCTEOSA-N", "SMILES:COC[C@H](C)N1Cc2cc(-c3cnc4[nH]cc(-c5ccncc5)c4c3)cc(C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBPWCWSYXNIZNE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc2c1C(=O)N(C1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYVLJKQEJVYOR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc2c1C(=O)N(C(C)(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUGCQJEZFTMJE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc2c1C(=O)N(C(C)(C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVXAZJBPVHKHO-SFHVURJKSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc2c1C(=O)N([C@@H](C)c1ccc(F)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBSUMCQPXLBJU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc2c1C(=O)N(CC(F)(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQYVRQLBSQSEB-INIZCTEOSA-N", "SMILES:CC(C)c1cc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIWFVRFCDSYTG-AWEZNQCLSA-N", "SMILES:COc1cc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWVGYJHYKTVES-ZDUSSCGKSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQSCUQJGEISXTB-AWEZNQCLSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc(C#N)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFYNUWFZFGUFQ-ZDUSSCGKSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc(C(F)(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSLVNLAOJMXZIQ-AWEZNQCLSA-N", "SMILES:CNC(=O)c1cc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWCCKGRPYZCMU-AWEZNQCLSA-N", "SMILES:CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFKGJBEARFSLO-AWEZNQCLSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJMUVIAPYNYDV-HNNXBMFYSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc(S(=O)(=O)N(C)C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVESMVSDHUNNFW-AWEZNQCLSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc(NS(C)(=O)=O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXJORHUFPYPBQ-AWEZNQCLSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc(S(C)(=O)=O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFZZOMBYEOOUPZ-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2c[nH]c3ncc(-c4cc5c(c(C(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)cc23)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEVZJLUWJYZXMS-INIZCTEOSA-N", "SMILES:Cc1cc(-c2c[nH]c3ncc(-c4cc5c(c(C(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)cc23)cc(C)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBMMXPHHVPMMY-KRWDZBQOSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(CC(=O)O)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCQUMEFEIIGHMM-SFHVURJKSA-N", "SMILES:Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)cc23)ccc1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PERRQPPDHPRPTE-SFHVURJKSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(C)(C)C(=O)O)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUCICRNIPQLMDF-SFHVURJKSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C5(C(=O)O)CC5)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPIVQHLZXOHZJD-INIZCTEOSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5ccc(C6(C(=O)O)CC6)cc5)c4c3)cc(C(F)(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSTHOARJPZGBSI-PNQPYDHWSA-N", "SMILES:O=C(NCCCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLIZEVKRMFCNZ-PNQPYDHWSA-N", "SMILES:O=C(NCCOCCOCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBHHEOWBUMCJJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCC3(CC2)CN(C(=O)c2ccccc2)c2c(-c4ccccc4)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZJZBRIEKEGTO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CC(=O)N2CCC3(CC2)CN(Cc2ccccc2)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITOVBQRJFGXTE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)N2CCC3(CC2)CN(Cc2ccccc2)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFQCAJLBHHVPB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(COC(=O)N2CCC3(CC2)CN(Cc2ccccc2)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAFQDJIYXJLQM-UHFFFAOYSA-N", "SMILES:CN1CC2(CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWUJLOSVWMVNA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCC3(CC2)CN(Cc2ccccc2)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZYAWMWHFNEMB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCC3(CC2)CN(C(=O)c2ccccc2)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNCETMQNHOUHF-UHFFFAOYSA-N", "SMILES:CN1CC2(CCN(Cc3ccc(C(=O)NO)s3)CC2)c2cccc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWBAEGQYZGDNJ-UHFFFAOYSA-N", "SMILES:CN1CC2(CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2cccc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378506", "category": ["biolink:ChemicalEntity"], "name": "BENZOXABOROLE", "xref": ["InChIKey:XOQABDOICLHPIS-UHFFFAOYSA-N", "SMILES:OB1OCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFFKBQCIGADRSN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USCKQKQTFCBECF-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPDKMFDIXAZOL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQVWAERNZDQQOS-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc(CNC(=O)Nc2ccc3c(c2)B(O)OC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEGPUNQGVPWAR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJJXBQAWUZTEGD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEIXZQRGIFIADK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYSQUFGPGJNCU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDOUVRSQYYECKR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULAKHEUACVZLFM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)Nc1c(Cl)cc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMNUTMZVYMDLE-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1NC(=O)Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGYCQDCVOMOMKB-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)B(O)OC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOIKEVPULLYJGZ-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(NC(=S)NCCc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWNRZNMXPXZJU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)Nc2ccc3c(c2)B(O)OC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCSUUZWMIFEIJO-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(NC(=S)Nc3ccc4ccccc4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGCVSDUNYUBXNB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)Nc2ccc3c(c2)B(O)OC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJMIANHGCEZLP-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(NC(=S)NCc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGTSDQJHZLWEBY-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(NC(=S)Nc3ccc(F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBLNVSHMXXYLCW-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(NC(=S)NCc3ccco3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVJYFMWJKNXCKE-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(NC(=S)Nc3ccc(C(F)(F)F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHBWOBLFQNTEP-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(NC(=S)Nc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJYYUGUIBHEWRX-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDYFFCMCTAMUEU-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWVGWGUTHRBLP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDBYBCLRYIAQHN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSAXCCKKTPSXQE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRDWCHVWULRSLF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKJVKYNZUKOHD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1471368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOZVDVBENUBDL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPFPBMIMVIZEW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSIBHAHXJVOIL-UHFFFAOYSA-N", "SMILES:CSCCC(=O)NCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIYJZXALTTVTFT-AIQPRDSRSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)CCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVGGMWMJPYYNF-DYJLHVNUSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJZIMFHRLDKHOO-RKTVTGNMSA-N", "SMILES:CC1(C)CN2C(CS/C(N)=N\\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)=CSC2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASENGHRUTMGCNR-YNWXFNELSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZCFQUPPKYXGI-KLFIWJCISA-N", "SMILES:CC1(C)CN2C(CS/C(=N\\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)NC3CCCCC3)=CSC2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFYAXNRXEOCJSZ-DUYHBEBVSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(\\NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQUNCTGYPMNBCO-XENDSNIWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C(C)C)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLRBKXSHDZIDBI-YWPNGJGISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC[C@H](NC(C)=O)C(N)=O)C(C)C)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSONKBDDRYITGA-BKTFHFEMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)N[C@H](COC(N)=O)Cc2c[nH]c3ccccc23)C(C)C)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVABDIHPHFGLKE-BKTFHFEMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CO)Cc2c[nH]c3ccccc23)C(C)C)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDBOZMKCUJPJAU-XENDSNIWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C(C)C)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAHRXNBHVAZFBW-MOPGFXCFSA-N", "SMILES:C[C@@H]1CN(c2nccc(NC(=O)c3ccc(NS(=O)(=O)[C@@H](C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APYGLDGMCNWDQE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(N2CCC(F)(F)CC2)c1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLWPYOCDKCRCM-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(OC2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHXCLUPJDLMGG-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC3(CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMTVFWPLCAYRGU-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(NC(C)(C)CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRRASGDTJZCMFH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(C2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPYYLJKEELKZFB-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(C(C#N)=C(N)Nc3n[nH]cc32)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBPCDOAQTLAGTC-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(C(C#N)=C(N)Nc3n[nH]cc32)c2cc([N+](=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUIFNSAFXXDZGN-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc2c1C1(C(=O)Nc3ccccc31)C(C#N)=C(N)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXBTVPWCAHUKMZ-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc2c1C1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSFKFNALJQVEHP-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc2c1C1(C(=O)N(C)c3ccc(Cl)cc31)C(C#N)=C(N)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVXLWJDIOUFRFK-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc2c1C1(C(=O)N(C)c3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXLJUIBFDQBJFB-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Nc2n[nH]cc2C12C(=O)Nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWKSBJCDAPPMPR-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(C(C#N)=C(N)Nc3n[nH]cc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZNGRIYZOVBFEA-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(C(C#N)=C(N)Nc3n[nH]cc32)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMUWWNGBUPJBBU-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(C(C#N)=C(N)Nc3n[nH]cc32)c2cc(OC(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCLLMFIKNQZIHK-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc2c1C1(C(=O)N(C)c3ccc(F)cc31)C(C#N)=C(N)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRIZPUGEWGISQB-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc2c1C1(C(=O)N(C)c3ccc(OC(F)(F)F)cc31)C(C#N)=C(N)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFWDCDMMWCZOG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C)c3cc(Cl)c(-c4cc(C)ccc4O)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIJPBJLOHMBSSM-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNCZMYLRBLYUPR-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRRROFEAUCZNQ-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3ccccc3C(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTIBCMNXPQIRG-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3cccc(C(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKUQHWBZKYFRA-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3C(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJVGIRRTPMYQG-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3cccc(OC)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIAJAYOAICDAZ-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3ccc4c(c3)OC(F)(F)O4)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWLQZIWKAASSDY-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3ccnc(OC(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHLZQJGDODHIE-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3cncc(C(F)(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNJVSYDFARJCBK-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3cncc(C(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPDITAIBZYEDC-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3ccc(OC)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRJSFQOKHUSCT-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3cccc(OC(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTHJHJGRMFKLE-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2nc(-c3ccccc3C(F)F)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPZUKXHZBAEZPU-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2nc(-c3ccc(C(F)F)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRQWQMCAWNQXIX-UHFFFAOYSA-N", "SMILES:CCP(=O)(OC)c1ccc2oc(-c3ccc(C(F)F)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZQMIMKRITPON-LBZQVFOQSA-N", "SMILES:COc1ccc2nccc(CC[C@H]3OC[C@H](NC(=O)c4ccc(Cl)cc4)CO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJDWKQUUFKOEM-OKDASEJXSA-N", "SMILES:COc1ccc2nccc(CC[C@H]3OC[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)CO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFMCWMJGTDHLKI-WVQHILGCSA-N", "SMILES:COc1ccc2nccc(CC[C@H]3OC[C@H](NC(=O)c4ccc5c(c4)NC(=O)CO5)CO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXPOVSSVBGRCOL-WVQHILGCSA-N", "SMILES:COc1ccc2nccc(CC[C@H]3OC[C@H](NC(=O)c4ccc5c(c4)NC(=O)CS5)CO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDRGHAYCSOQSD-QHCPKHFHSA-N", "SMILES:COc1cccc(F)c1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLOAIWXSMVTHJ-QFIPXVFZSA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1c(O)cccc1F)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIXOIBDALBDEAM-QHCPKHFHSA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1ccccc1O)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKZIGSQILBNKNJ-DEOSSOPVSA-N", "SMILES:COc1ccccc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCMYVDDZHDRFF-QHCPKHFHSA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1ccccc1S)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVNIPPBTCWYJG-DEOSSOPVSA-N", "SMILES:CSc1ccccc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJZGAMBGOPNSV-QHCPKHFHSA-N", "SMILES:Nc1cccc(F)c1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMLMKQIHOFYZPV-VWLOTQADSA-N", "SMILES:CNc1ccccc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXOLTHXMXKDRIS-SANMLTNESA-N", "SMILES:CNC(=O)CCCCC[C@H](NC(=O)Cn1ccc2cc(C#N)ccc21)c1ncc(-c2ccc(CN(C)C)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOESHVZEHKMOIK-UXKPLKHMSA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1cnn(C/C=C/c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNOXQYPNBSQQEI-FQEVSTJZSA-N", "SMILES:CN1CC(C(=O)N[C@@H](CCCCCC(=O)c2ccon2)c2ncc(-c3ccccc3F)[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRJCSKILKMMUHL-DEOSSOPVSA-N", "SMILES:COc1ccc(C(=O)NCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLUZYPJNLXXNQ-DEOSSOPVSA-N", "SMILES:COc1ccc(O)c(C(=O)NCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDGWSUWHOVZFS-NRFANRHFSA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1ncccc1O)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJIOFZYORUSHOR-VWLOTQADSA-N", "SMILES:CN(C)c1ccccc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBTGNYZKHDYVIO-MHZLTWQESA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1ccccc1-n1cccc1)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNKTSPKIQWYKH-NKKYMYNVSA-N", "SMILES:C[S+]([O-])c1ccccc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTRGZNSYOSURO-MHZLTWQESA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1ccccc1C1CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRMACAZSMFOKV-QFIPXVFZSA-N", "SMILES:Nc1cccnc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUYXRPOASRGKHF-QFIPXVFZSA-N", "SMILES:COc1cccc(O)c1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STDQPWUOWNTNSH-QHCPKHFHSA-N", "SMILES:COc1cccc(C(=O)NCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJBQYYTUWOLPJN-VWLOTQADSA-N", "SMILES:CCSc1ccccc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOSRMYNAUMUONH-QHCPKHFHSA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1ccccc1OC(F)(F)F)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXFNJSHGTUHNE-DEOSSOPVSA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1ccccc1OCC(F)(F)F)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUITNOBMBNHBF-DEOSSOPVSA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1ccccc1Cl)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNPIQKMSCPRDA-VWLOTQADSA-N", "SMILES:N#Cc1ccccc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRZRIZOHUBXWBE-SANMLTNESA-N", "SMILES:CCc1ccccc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDJQYMNCGDGFE-MHZLTWQESA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1cccc2c1CCC2)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDHUHMPWDWKFCL-QHCPKHFHSA-N", "SMILES:COc1nc2ccccc2cc1-c1cnc([C@H](CCCCNC(=O)c2ccccc2SC)NC(=O)c2cncs2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSVYUPITSFDKSW-QFIPXVFZSA-N", "SMILES:COc1nc2ccccc2cc1-c1nnc([C@H](CCCCNC(=O)c2ccccc2SC)NC(=O)c2cncs2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONRQGQUVXNOBM-UHFFFAOYSA-N", "SMILES:NCCCOc1ccc2nc3ccc(=O)cc-3oc2c1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBIBFLRQNHOTI-PEBXRYMYSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)c(F)n2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHXTYKXNOKWJQP-FATZIPQQSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFIYRYVOKUOJKG-FATZIPQQSA-N", "SMILES:C[C@@H]1Cc2c(cc(F)c3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVJTTDWHITPNL-QKFKETGDSA-N", "SMILES:C[C@@H]1Cc2c(c(F)cc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXTVOHJJVUKKOE-OYLFLEFRSA-N", "SMILES:COc1cc2[nH]ncc2c2c1[C@@H](c1ccc(NC3CN(CCCF)C3)cn1)N(CC(F)(F)F)[C@H](C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWNKKQAKBRJNT-QKFKETGDSA-N", "SMILES:C[C@@H]1Cc2c(c(O)cc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPNMZYDKYZNYIC-ASSNKEHSSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2ccc(NC3CN(CCCF)C3)c(F)n2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFDBWZWHJOLNAF-DMZKTXOQSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWHNGKEZAFESY-GMAHTHKFSA-N", "SMILES:FCCCN1CC(Nc2ccc([C@@H]3c4ccc5[nH]ncc5c4C[C@@H](C(F)F)N3CC(F)F)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSBMAVBGZRJPI-MYYSRTQBSA-N", "SMILES:C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWVWRNWATINLNB-UHFFFAOYSA-N", "SMILES:C#CCCCC(=O)Nc1nc(-c2ccc(O)cc2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIPJKNFERWLPN-QHCPKHFHSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@@H](CCC(N)=O)C(=O)N2CCCN(c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIPJKNFERWLPN-HSZRJFAPSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@H](CCC(N)=O)C(=O)N2CCCN(c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZICPZMJZSIENNH-QHCPKHFHSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@@H](CCC(N)=O)C(=O)NCc2cccc(N3CCOCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZICPZMJZSIENNH-HSZRJFAPSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@H](CCC(N)=O)C(=O)NCc2cccc(N3CCOCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNGJVLSKLLUXGS-QFIPXVFZSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@@H](CCC(N)=O)C(=O)NCc2ccccc2N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNGJVLSKLLUXGS-JOCHJYFZSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@H](CCC(N)=O)C(=O)NCc2ccccc2N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSMPQLXEZGNBDA-JBHNSPMSSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)CCCCn1cc(CCCC(=O)Nc2nc(-c3ccc(O)cc3O)cs2)nn1)C(=O)N[C@H](CC(=O)O)C(=O)NCCCCCC(=O)N[C@@H](CSC1CC(=O)N(c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWEZUEFTKXJJER-MYANZNSVSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCn1cc(CCCC(=O)Nc2nc(-c3ccc(O)cc3O)cs2)nn1)NC(=O)CCCCCNC(=O)CCCCn1cc(CCCC(=O)Nc2nc(-c3ccc(O)cc3O)cs2)nn1)C(=O)N[C@H](CC(=O)O)C(=O)NCCCCCC(=O)N[C@@H](CSC1CC(=O)N(c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWAUELKZNZMMFS-AZTPILMESA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCn1cc(CCCC(=O)Nc2nc(-c3ccc(O)cc3O)cs2)nn1)NC(=O)CCCCCNC(=O)CCCCn1cc(CCCC(=O)Nc2nc(-c3ccc(O)cc3O)cs2)nn1)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCn1cc(CCCC(=O)Nc2nc(-c3ccc(O)cc3O)cs2)nn1)NC(=O)CCCCCNC(=O)CCCCn1cc(CCCC(=O)Nc2nc(-c3ccc(O)cc3O)cs2)nn1)C(=O)N[C@H](CC(=O)O)C(=O)NCCCCCC(=O)N[C@@H](CSC1CC(=O)N(c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIIVZWPKZDSEKI-DYJLHVNUSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@@H](CCC(=O)NCCCCC(NC(=S)Nc2cccc3c2C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)C(=O)NCc2ccccc2N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIIVZWPKZDSEKI-HRCVVWNVSA-N", "SMILES:CN(C)c1ccc(CC(=O)N[C@H](CCC(=O)NCCCCC(NC(=S)Nc2cccc3c2C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)C(=O)NCc2ccccc2N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVFWKQQLXRZBLL-UHFFFAOYSA-M", "SMILES:COCCN1C(C)=[N+](Cc2cnccn2)C2C(=O)c3ccccc3C(=O)C21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQDPVIZBYEBGM-NXEZZACHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2nc(N)ns2)nc2c1C[C@@H]1COCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDNUCMFYNAXQT-VXGBXAGGSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccc(N)nn2)nc2c1C[C@@H]1COCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZAQTKRFGGBJAQ-NXEZZACHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2nnc(N)s2)nc2c1C[C@@H]1COCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZIVLAHVAHIFES-GHMZBOCLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)s2)nc2c1C[C@@H]1COCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFISZJMWQXGLIR-VXGBXAGGSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc2c1C[C@@H]1COCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVSQSOIIVGFNA-GHMZBOCLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc2c1C[C@@H]1COCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFCLKXLAFXQOP-VXGBXAGGSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)nc2c1C[C@@H]1COCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPUNAJUBCBVCM-GHMZBOCLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)(F)F)nc2c1C[C@@H]1COCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMGRYVPJEBKCAS-DGCLKSJQSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)c(C(F)(F)F)c2)nc2c1C[C@@H]1COCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECIKLCPKVAIST-UHFFFAOYSA-N", "SMILES:CCCn1c(C)cc(-c2csc(NC(=O)c3cccs3)n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZIIQCYSUQNAB-UHFFFAOYSA-N", "SMILES:CCCn1c(C)cc(-c2csc(NC(=O)c3ccco3)n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXQFIQXYAWBCLC-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)n(C2CCCS2)cc1C#CCNS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLZVPNJGTGBDSW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c[nH]c3ccccc23)c(=O)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCZROPYGMNWQO-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3cc(C)n[nH]c3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFYGJFYYSYHLRF-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3cc(C)nn(Cc4ccccc4)c3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL364291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGTYBHLGCGETSC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(O)nn2)cc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANVSHKYKLZYEQA-YITAYXLBSA-N", "SMILES:Cc1nnc(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJABFABSMJVZPP-OSFGXRAKSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCc4nnc(C)o4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTTUATCGJIGJJB-VRCWYQAQSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQBQHQCARKVFLJ-NOALLCQMSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXNFUBOXADYMRJ-IFJDUOSNSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNSIVFRAASXDS-KIBSRLPBSA-N", "SMILES:COCCOCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDOEUVZJWVKSI-HSDZUUCYSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLIKKLFEWLOEFH-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc2nc3ccccc3n12)Nc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICDHBBVYWKBVLG-ONEGZZNKSA-N", "SMILES:CNc1nc(C)c(C(=O)/C=C/c2nccs2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXMWFGUBAGIJP-ONEGZZNKSA-N", "SMILES:CNc1nc(C)c(C(=O)/C=C/c2ccsc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNISRJUMJWXDHT-VMPITWQZSA-N", "SMILES:CNc1nc(C)c(C(=O)/C=C/c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTCPZYODZQDSF-BUVRLJJBSA-N", "SMILES:N#C/C(=C\\c1ccc(OCC(O)CN2CCN(c3ccc(C#N)cc3)CC2)cc1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQFCVVDSLRDCHM-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(O)cccc5F)c(Cl)cc34)N(C)C(=O)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBFNBXJLJDIRLI-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(O)cccc5F)c(Cl)cc34)NC(=O)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYIJUHOZCCHSR-AWEZNQCLSA-N", "SMILES:C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(O)cccc5F)c(Cl)cc34)N(C)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNBALIOFUBKVJT-ZDUSSCGKSA-N", "SMILES:C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(O)cccc5F)c(Cl)cc34)NC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFXPFVNRBVVQFZ-YYFXGUOYSA-N", "SMILES:COc1nc(OC)c([C@@H](c2ccccc2)[C@@](O)(CCN(C)C)c2cccc3ccccc23)cc1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHCDQCRSRIDGM-HWKANZROSA-N", "SMILES:O=C(CI)NCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHHYTFFCGVDRDN-GQCTYLIASA-N", "SMILES:O=C(CI)NCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWCGMXOBKNVKQD-HWKANZROSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1Cl)N(O)CCCN1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZEBYOFKBTWYPH-GQCTYLIASA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1Cl)N(O)CCCCN1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UONDFONGDQMYME-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1Cl)N(O)CCCCCC1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDSRBSIRZYDAH-HWKANZROSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCNC(=O)CI"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTWGVLKGNFHEQC-HWKANZROSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCN1C(=O)C=CC1=O"]}
{"name": "Matrix metalloproteinase-19", "xref": ["CHEMBL.TARGET:CHEMBL1938214"], "id": "UniProtKB:Q99542", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCYYNZUWOYKGO-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCN3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJXTLVADQMHNY-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCCN3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZOAVOKRIVTGW-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCCCN3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHCYGIJBHRLDQT-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEJWPZQXKOWJH-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCN3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJSWDFXEMVLOC-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCCN3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCJCZVUHPAFTTR-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJASZQHWGXVNPG-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCCCCN3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZDIHDNMUCUHGB-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCCN3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLYDQSBWHQJVNW-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCCCN3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIQYOCMKRTYOTH-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCCCCN3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEAXABITJLXQCT-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccc3occc(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEOHNFXJNSSCCM-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2ccc3occc(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZFUVSFVYVMMGW-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCCCOc2ccc3occc(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZNOQWZLSDQBD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc2occc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALAZYCIWYGSJKZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCOc1ccc2occc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVOBAHKJCQZNC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCCOc1ccc2occc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCSWNUMGVOHSM-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCN3CCCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWCICCXKIXGDJ-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(OCCCN3CCCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZDJYRBTGAWKY-CQSZACIVSA-N", "SMILES:C[C@@H]1CCCN1CCCCOc1ccc2occc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIKVXYFWUBBHP-OAHLLOKOSA-N", "SMILES:C[C@@H]1CCCN1CCCCCOc1ccc2occc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDHCUUHJXOURA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSGHQPOWCAEEI-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2nc(C34CC5CC(CC(C5)C3)C4)no2)c(=O)c2cc(-c3ccco3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLZYBWCVOVHFO-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cn(C34CC5CC(CC(C5)C3)C4)nn2)c(=O)c2cc(-c3ccco3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEJGFTRDUXNSMR-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)c(=O)c2cc(-c3ccco3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKWMUTHXNYJMDE-UHFFFAOYSA-N", "SMILES:CCCCCCCc1cn(Cc2cc(OC)c(O)cc2I)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQJDNZHPIZRRV-HBMCJLEFSA-N", "SMILES:C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc2c(c1)CCC2)C(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKWYBIJVPNFJI-FBLLAGFSSA-N", "SMILES:C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRBOOUOUSFWET-BFHYXJOUSA-N", "SMILES:C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXMUYZBZHWHMEP-QWRGUYRKSA-N", "SMILES:CC(C)C[C@H](NC[C@@H]1CCCN1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL123813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFAWSYFHOAMBH-DTWKUNHWSA-N", "SMILES:NC(=O)CN1CC[C@@H](N2CC(=O)N3CCC[C@H]3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVVWPSQSKLWQF-QWRGUYRKSA-N", "SMILES:CC(C)C[C@@H](C(=O)NCC(N)=O)N1CC(=O)N2CCC[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKWXMNDKAZLYMW-YSSBGUOXSA-N", "SMILES:NC(=O)[C@H]1CS[C@@H]2C[C@@H](N3CC(=O)N4CCC[C@H]4C3=O)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPWJMZNJZWAWDA-JPRBTODASA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWJPHGJNZTXMGR-FBQZJRKBSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJPLBXKJRGYRL-NKGNNZHESA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPVVNYZORKKPQ-SNVBAGLBSA-N", "SMILES:O=C(O)CC(=O)N[C@@H](CS)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL349404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPVVNYZORKKPQ-JTQLQIEISA-N", "SMILES:O=C(O)CC(=O)N[C@H](CS)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1946583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUMTLVRTBXRDU-NGKXTOPJSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL312911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBYCHLWJCGXUHJ-KCKIENPLSA-N", "SMILES:CC(C)C(NC(=O)C[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKMOUMQTHQTFE-XHPANXIASA-N", "SMILES:CCN(C(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)(C)S(C)(=O)=O)NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTGZCCWVTUNKCA-PNIUZAESSA-N", "SMILES:CC(C)(C)NS(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NOC(=O)CCC(=O)NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHUDBVJMDPRES-QEGGNFSNSA-N", "SMILES:CC(C)(C)NS(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUDJQBCXATQJP-VABKMULXSA-N", "SMILES:CC(C)C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXYOECOOPWISTL-HJOGWXRNSA-N", "SMILES:CC(C)C[C@@H](C(=O)O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJWIOGPXBNZFM-VABKMULXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=S)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSMDCSALCNYMEN-VABKMULXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKEDRVBLHYYMJZ-KEWPXGLPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N/C=C/NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDROKKYSSQPXQO-FWEHEUNISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTXORFXWPVWLFP-LJADHVKFSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXZPIEWMODHERU-MINHATPFSA-N", "SMILES:CC(C)C[C@@H](/C=C/NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJHHSVEWAJXJP-ICXILOJFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C/C=C(\\F)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWHQGKTKYHXSW-KOGWVKCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](/C=C(\\F)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPVIKPJVDLTQE-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccco2)nc2c(NCCCOC)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXELNJALEVTKCV-UHFFFAOYSA-N", "SMILES:OCCCNc1ccnc2c1nc(-c1ccco1)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTXXZMNWIDRNU-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccco2)nc2c(N(C)CCCO)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19224", "category": ["biolink:ChemicalEntity"], "name": "PAPAVERINE", "xref": ["InChIKey:XQYZDYMELSJDRZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC"], "synonym": ["Papaverine", "Papaverine", "Papaverine", "Papaverinum", "NSC-136630"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4789451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKDOCYPZLWPFES-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccco2)nc2c(NCc3ccccc3)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGJFGQDSRBAMG-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccccc2)nc2c(NCc3ccccc3)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJZUUYQZQJZUTO-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccco2)nc2c(N)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBQUQRYGSSTDCI-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccc(OC)cc2)nc2c(N)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFZXGHTBMVCID-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccccc2)nc2c(N)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGIDFUSDIWBGA-UHFFFAOYSA-N", "SMILES:Nc1ccnc2c1nc(-c1ccccc1)n2CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBVVCFWYIKJMT-UHFFFAOYSA-N", "SMILES:Nc1ccnc2c1nc(-c1ccccc1)n2CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABHIYDRGFKTFF-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccccc2)nc2c(NCCc3cccs3)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFMZCWKCPQKDM-UHFFFAOYSA-N", "SMILES:c1coc(-c2nc3c(NCCc4cccs4)ccnc3n2C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORXUTGADXGLUKR-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccco2)nc2c(NCCOC)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPDFAGFEFTRET-UHFFFAOYSA-N", "SMILES:COCCNc1ccnc2c1nc(-c1ccco1)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGBYNFHXQAOCE-UHFFFAOYSA-N", "SMILES:COCCCNc1ccnc2c1nc(-c1ccco1)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGJCPWQUGIVLH-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccccc2)nc2c(NCCCO)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNLEMCHTKQUJL-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccco2)nc2c(NCCCO)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWVKVVVFYXOOR-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccccc2)nc2c(NCc3ccccc3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQFHNQYZNRWNO-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccco2)nc2c(NCc3ccccc3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQCDTRQALDPRRV-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccccc2)nc2c(NCCc3cccs3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBOOOBHWXPGERF-UHFFFAOYSA-N", "SMILES:c1coc(-c2nc3c(NCCc4cccs4)nccc3n2C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTVDCRFGYIIPRQ-UHFFFAOYSA-N", "SMILES:COCCNc1nccc2c1nc(-c1ccco1)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWROMQYRCOQPY-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccco2)nc2c(NCCCOC)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVWTVWVLCZLQS-UHFFFAOYSA-N", "SMILES:COCCCNc1nccc2c1nc(-c1ccco1)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPFPPVHADKZBW-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccccc2)nc2c(NCCCO)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCZZFOWDWLUGC-UHFFFAOYSA-N", "SMILES:OCCCNc1nccc2c1nc(-c1ccco1)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOMWKQWTPHEJP-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccco2)nc2c(N(C)CCCO)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWECFCKUHAMUOT-UHFFFAOYSA-N", "SMILES:CNc1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRAFBKUHQNNFZ-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2nc(Br)n(C3CCCc4cccc(Br)c43)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL71752", "category": ["biolink:ChemicalEntity"], "name": "VINPOCETINE", "xref": ["InChIKey:DDNCQMVWWZOMLN-IRLDBZIGSA-N", "SMILES:CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32"], "synonym": ["Vinpocetine", "Vinpocetine", "Vinpocetine", "Vinpocetina", "Vinpocetine", "Vinpocetine", "Apovincaminic acid ethyl ester", "Bravinton", "Ceractin", "Ethyl apovincamin-22-oate", "Rgh 4405", "Tcv 3b", "Ultra-vinca", "Vinpocetine", "Vinporal", "AY-27,255", "AY-27255", "NSC-760093", "Cavinton", "Vinpocetine", "Vinpocetine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL296435", "category": ["biolink:ChemicalEntity"], "name": "(+)-EHNA", "xref": ["InChIKey:IOSAAWHGJUZBOG-WDEREUQCSA-N", "SMILES:CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL189", "category": ["biolink:ChemicalEntity"], "name": "MILRINONE", "xref": ["InChIKey:PZRHRDRVRGEVNW-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1"], "synonym": ["Milrinone", "Milrinone", "Milrinone", "Milrinona", "Milrinone", "Milrinone", "Milrila", "Milrinone", "NSC-760072", "WIN 47,203-2", "WIN-47203-2", "Milrinone", "Milrinone"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4743888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBVYNULNKSONR-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXISJFMEQMBTOP-UHFFFAOYSA-N", "SMILES:CC1(C#N)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVILJCIMEJSQDQ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(Cc2ccccc2F)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBHJDXERNUQOL-UHFFFAOYSA-N", "SMILES:O=C(NCc1c(F)cc(F)cc1F)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCGPENKUSHUSM-UHFFFAOYSA-N", "SMILES:CC1Cc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2N(Cc2c(F)cccc2Cl)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSANXQIHVSLCB-UHFFFAOYSA-N", "SMILES:CC1Cc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2N(Cc2cc(F)cc(F)c2)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INXYQOSILYWQGY-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIPPRDBBRHFIDF-UHFFFAOYSA-N", "SMILES:CC1Oc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2N(Cc2cc(F)cc(F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQGLLTZTNYQAK-UHFFFAOYSA-N", "SMILES:CC1(C#N)C(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRNWKVJUBAKLAS-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTZRPIWYUPGMFW-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(Cc2ccccc2F)c2cc(C(=O)NCc3ccco3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGYNIELEGNSTQJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1c(F)cc(F)cc1F)c1cnc2c(c1)N(Cc1cc(F)cc(F)c1)C(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCBPAPPVOVBHY-UHFFFAOYSA-N", "SMILES:CC1(O)C(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21"]}
{"name": "Stimulator of interferon genes protein", "xref": ["CHEMBL.TARGET:CHEMBL4739838"], "id": "UniProtKB:A0A2K5TV20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9541"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHZCSUPIZNJGX-UHFFFAOYSA-N", "SMILES:O=C(NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPNAPFXMFOSJC-UHFFFAOYSA-N", "SMILES:O=C(NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKINWOARSWEHAS-UHFFFAOYSA-N", "SMILES:O=C(NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJKVIWKCORHOJK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(NC(=O)NCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRRPMLWLHHVJM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)NCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDJPXQPXBCNOA-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAFAIONORVBTNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(CCCCNC(=O)Nc2ccc(Cl)cc2)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMSZKICDUOYJP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CCCCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMPRVWKYCBWFIV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CCCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHOZLTGFKHCJHS-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTYPXGIXGVMKG-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYUJMTCFDHVXCS-UHFFFAOYSA-N", "SMILES:O=C(NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMYQISUGAOUCAS-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCC(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXANGDUFTYQSRO-UHFFFAOYSA-N", "SMILES:CN(CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYGZGHPGXQMGV-UHFFFAOYSA-N", "SMILES:O=C(NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZQQVQDJRCGZIM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKAAQAKLPGFPU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)OCCCCC(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYCZICBBIUVHC-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFWCARUVZTJGG-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPYBHCJBORHCE-SFHVURJKSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPFUFQIEFZZIBO-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCCc2cc(NC(=O)C3CC=CCC3C(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBIYZYWEQWBMAX-MRXNPFEDSA-N", "SMILES:Cc1cc2c(c(C(=O)NCCCN3CCCc4ccccc43)c1)N[C@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOXZQLQJWZVRM-MRXNPFEDSA-N", "SMILES:COc1ccc2c(c1)N(CCCNC(=O)c1cc(C)cc3c1N[C@H](C)C(=O)N3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMIISZXXWVLTM-BZYZDCJZSA-N", "SMILES:C[C@@H]1CC(=O)Nc2cccc(/C=C/c3ccccc3S(N)(=O)=O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPSNXSAYALRMQW-LLVKDONJSA-N", "SMILES:C[C@@H]1CC(=O)Nc2cccc(-c3cnn(C(C)(C)C)c3)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSLEHAEHBSCSA-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NC)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKWQTYSHJWGMAZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)NCc1nn2c(-c3ccccc3)nnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJNFDHGTNKTJR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOIWXLZWGTZOU-XHCCPWGMSA-N", "SMILES:CCNC(=O)c1ccc2c(C(=O)[C@H](NC[C@@H](C)c3ccc(C#N)cc3)c3ccccc3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUAOWZOXUPYUNB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C1Cc3cc(O)c(O)cc3NC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206106", "category": ["biolink:ChemicalEntity"], "name": "PALMITINE", "xref": ["InChIKey:QUCQEUCGKKTEBI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4752387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMMZYEBFJWWUJX-YCSGKXEJSA-N", "SMILES:COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cccc(OC)c5c4CCN3C[C@H]2CC[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL235195", "category": ["biolink:ChemicalEntity"], "name": "TAXODIONE", "xref": ["InChIKey:FNNZMRSRVYUVQT-AZUAARDMSA-N", "SMILES:CC(C)C1=CC2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4457203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJMSUWTQOGMDX-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3c[n+]1CCC2.CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQGPBEIPKDAHOF-UHFFFAOYSA-N", "SMILES:C#CCNCCCCCOc1ccc2nc(C)c(C(=O)OCC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEWFTYOFWIXCIO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)ON=C2C=C(C)C(=O)C(C)=C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVQCAMYBKVFTMC-CWTLIFFUSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)[C@H](O)CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(N)=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZBKWZIDLKEHTE-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cc(O)c(F)cc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCJPIUKTDETBJ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cc(O)ccc3C(F)(F)F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNMSDGVQNPELNS-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGYBTZFWSODPE-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1C(=O)N1CCC(C(=O)c2ccc(C(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMLENUAKZSSQY-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cncc(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDLDYSDNTPFALY-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cccc(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMUJCYTJUOWAM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C2CCCCC2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUNLGRKKCKOET-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C2CC2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTIYOLXVWKCNBT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ccccc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFBGNBPUSMBASJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPZAEGIVCBZRD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccccc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQJIPKOEYPOXAQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCBEWJBSFKUJX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc([S+]([O-])c2ccccc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFIZRSZCWFZDL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cc2ccccc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQAWVROPXXJXAB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cn(-c3ccccc3)nn2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUNVXUHOUJWLL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cn(Cc3ccccc3)nn2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOJJKOYECVDSO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cn(CCCc3ccccc3)nn2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKQOVVZSRWKHB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccccc2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXGIEJRIHVXHRR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cc2ccccc2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYNSPVDHQWDCDI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccccc2)cc1)C1CCN(C(=O)c2cc(O)c(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIGNSOBGXMEJJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cc2ccccc2)cc1)C1CCN(C(=O)c2cc(O)c(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFOXCDWOUVXUOL-FBXVAIGNSA-N", "SMILES:CCCCCCCCCCCCCCCCOCC(CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYOTUUDXPOEGHB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCC(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZPFNTOJUDGRKB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(NC(=O)N2CCC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASYGSCJJBXCZCS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(NC(=O)N2CCC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUIHEUEWLDFQP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)N2CCC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWMYYSLRIXNELC-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)N2CCC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJSWRHLSCPERP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)N2CCC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLXSIMZLQWWPP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)N2CCC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL61479", "category": ["biolink:ChemicalEntity"], "name": "SIRAMESINE", "xref": ["InChIKey:XWAONOGAGZNUSF-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1"], "synonym": ["Siramesine", "Siramesina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLTOLYPDWXYQFT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLGQTVZSERKAEF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDDAZNIYSRFOT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCCCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSJBTWIUQDZLP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCCCCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOEMMHBJOHMMBF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMZWFZCMJHXONE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGUVVBURSPIVTJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)CCN(CCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILPWLYAMLWCADV-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)CN(CCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYRIJHKKBSVNA-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)CCN(CCCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMVYRZWZXTVMJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)CCN(CCCCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBCFZCZECGYOND-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)CN(CCCCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLWQGWLMHZRGX-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)CCN(CCCCCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRFOPTQGWLPDCQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)CN(CCCCCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COKJOGVCUJGTDA-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1OC)CCN(CCCCCCC(=O)c1c(C)c(OC)c(OC)c(OC)c1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRXRVGBFTJMNCG-UHFFFAOYSA-N", "SMILES:CSc1nn2cc(-c3cc4ccccc4o3)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINMDCMSHDBHKG-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2nc(N3CCOCC3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWDVNMZIFUADU-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLGOYYDNXLYYNE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(Cl)cc2Cl)c2ncc(OC(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSJIFZNTJLVGKQ-JIPXPUAJSA-N", "SMILES:COc1cnc2c(-c3nc4cc(F)c(O[C@@H]5CCC(C)(C)[C@@H]5OC(=O)Nc5ccnc(C)n5)cc4s3)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXEGBEVHBCPYOU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C)c(-c3cccc(O)c3)s2)c2ncc(OC(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYOWGKVMQVHSGM-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(F)c2C(=O)C1(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WADCFSVAUBQADP-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(O)c2C(=O)C1(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVHGEAEYBFUJZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc2c1C(=O)C(O)(O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWORVSADFUVQP-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C(=O)C(O)(O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZSIKUNRUHSIJN-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1C(=O)C(O)(O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWUIGWLZVAPWQV-UHFFFAOYSA-N", "SMILES:O=C1c2cccc([N+](=O)[O-])c2C(=O)C1(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUPPTNNPUSWEFC-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(Br)c2C(=O)C1(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFDBEXXZHVVAE-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)C(O)(O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGEXOKDSGCWVPT-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(F)cc2C(=O)C1(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKNXPOACSQXSGF-UHFFFAOYSA-N", "SMILES:O=C1c2ccc([N+](=O)[O-])cc2C(=O)C1(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLMZVCJEVXJYSV-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(Br)cc2C(=O)C1(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHOECBIWVLNDE-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(O)cc2C(=O)C1(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHRLGTHYCGMMQQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)C(O)(O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXHQIRFPVXVSCM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)C)c2c1C(=O)C(O)(O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDKREDPVCOGGW-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)CCl)c2c1C(=O)C(O)(O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNPQMQPXQZXCM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1C(=O)C(O)(O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUKMKNQONAROX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(O)(O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVDGZKJNCLWFF-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Br)cc(Br)c2C(=O)C1(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTTWUCSGHUBHMY-UHFFFAOYSA-N", "SMILES:O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)C1(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYBJARSCAYWJT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(Cl)cc(N4CCN(C)CC4)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGLXPSUCFZANQH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(N4CCOCC4)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZOEHADHLMAAF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc4cc[nH]c4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAMQOYAAMFNIHD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc4[nH]cnc4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFXZYCZEKZUTRB-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc4[nH]ncc4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDAWPFZDSWMYJS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc4ncccc4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUWYCDXSGWMWBW-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc4ccccc4n3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUCXNIZMLPMNK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3c[nH]c4ncccc34)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESNIKLFCUWFHE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3c[nH]c4ccccc34)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHDZWJHDZYXRQ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc4ccccc4o3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKHLBYRDLCJKA-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccco3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWVVGFRRJMPAE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccs3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRGUNZTGURBHR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cscn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMRRAWJDOQLKK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccnnc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMALGKIXBMWJKE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccnc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOCVYFTSVZZHK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccncc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRMQAAWCOUZQV-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLAGYSQQQFFSB-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(F)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXYUHKMNSSAQLB-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(Br)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWSDBRXIIKCBC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(C)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTZRINRMALHTE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(N)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLCUIGNIXBPIV-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(C(=O)O)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOHJNGPAABXQF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(O)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLYKMHWSQLSOG-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(N)nc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCAWXURVSBHJFM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(O)nc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJRADYYBMJOSF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccnc3N)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJIUNYQSRNJJL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccnc3Br)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHRPJIMQBDPLLG-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccnc(F)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRZWKMMMWDGUNO-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccnc(Cl)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IROARLRLUGTNMH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccnc(Br)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXIACZXXBHCKIF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccnc(O)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKDLORLKLFRFBC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccnc(N)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWFOTJAWEAPYQF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccncc3N)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJWXXOTBDBREU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(N)n3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNCOBKQVBTFRR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(O)n3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSHGHTUKHMNPQN-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(C)n3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVSRTPVRUHIBTO-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(F)n3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHLBWVHAQORONZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(Cl)n3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVECGIRDEOUDKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(Cl)cn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBJLUOMJLKMCLH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(Cl)ccn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYRPTQXBMWIDY-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(F)cn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDUSDOHMRMLKJ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(Br)cn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOIMGSMLKYBLLG-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(N)cn3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUAAPEQWEPEZIZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccnc3O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWMCMTYHOHEFMD-SXGWCWSVSA-N", "SMILES:COc1cc(/C=C2\\SC(=O)NC2=O)ccc1COc1ccc(C(F)(F)F)cc1"]}
{"name": "Forkhead box protein M1", "xref": ["CHEMBL.TARGET:CHEMBL4739852"], "id": "UniProtKB:Q08050", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFIGAYGDAXIYHM-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(-c2cccnc2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJNKRYAVNXGRPH-VCHYOVAHSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc(N/N=C/c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQUUKYATKWSSMT-VCHYOVAHSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXQCPVRAMAXZOY-YBFXNURJSA-N", "SMILES:COc1ccccc1/C=N/Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPDRFFXLZHOHV-GIJQJNRQSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(O)cc3O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIYQKOSNHXVUKK-VXLYETTFSA-N", "SMILES:COc1ccc(O)c(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFKVQXPBQFZREB-VXLYETTFSA-N", "SMILES:COc1ccc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRNPQDCEBNEWQR-RGVLZGJSSA-N", "SMILES:COc1cccc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGISCMITNSQCOC-RGVLZGJSSA-N", "SMILES:COc1ccc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRNJNXWJQXEBKI-RGVLZGJSSA-N", "SMILES:COc1ccc(OC)c(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIALJPMQPCZAOU-RGVLZGJSSA-N", "SMILES:COc1ccc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXDZLKZATHLEFT-KEBDBYFISA-N", "SMILES:COc1cc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVBMTWGYKJGED-SRZZPIQSSA-N", "SMILES:COc1cc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEVUMROHFZOVMK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCC(=O)NO)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNRWYDSWFHTJI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCCC(=O)NO)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JETVWIPZDARZAN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCCCC(=O)NO)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLRZGNAIQFJNT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICPNDBHZFPANIZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCCC(=O)Nc3ccccc3N)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNOLMGJPGBWLA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQUKQLUXCYAWHW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHPNAKQERGIOM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2F)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOTWCQOEGOFTBA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Cl)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDEKZBBQXAWJKX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2C(F)(F)F)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYVRHSREOYIFK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFPUXRWWYPANOO-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBPMLSHIWJBBD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTKTGFQXONNJX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(F)c2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYUJAPSAJUBKN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(Cl)c2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWQSOOOMILGDNL-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cn(C)c(=O)c3[nH]c(C(=O)NCc4ccc(C(=O)Nc5ccccc5N)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKHCSORNQHLOY-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cn(C)c(=O)c3[nH]c(C(=O)NCc4ccc(C(=O)Nc5ccccc5N)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPCAJGRRDIGSEF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(C(C)(C)O)c2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBIPLHJRIODVHF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(F)cc2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQNFXZXVAXQCA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Cl)cc2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKIJBHFTCNUJJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(C(F)(F)F)cc2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUVZCXWHNDJBCX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(C)c(=O)c3[nH]c(C(=O)NCc4ccc(C(=O)Nc5ccccc5N)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOCOFJBWLHCTN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(C)c(=O)c3[nH]c(C(=O)NCc4ccc(C(=O)Nc5ccccc5N)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHPDJCNCCZDFQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFYLADBQGNFSOV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSNXLPXZLYNBB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(C)(C)O)ccc2OC2CC2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKDPRRREPVZBP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccccc2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIINOGWJPAPJTM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(F)cc2F)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGDOIHBGKKMQF-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)NO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTSVADVXKCTABF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(C)(C)O)ccc2OC2CC2)c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTZPTYMYXVFWJT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(F)cc2F)c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGISYTAPMAPSIK-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)NO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZTZOURCDUBLM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGWNAPGXNVYHS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(C)(C)O)ccc2OC2CC2)c2cc(C(=O)NCCCCCCC(=O)NO)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REHHQXJAWXFUSZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(F)cc2F)c2cc(C(=O)NCCCCCCC(=O)NO)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMGJZQIDXYGFV-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQQYSHRKMGYNP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1cnc(N(c2ccccc2)c2ccccc2)nc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBDVGVNIQOSQQT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCC(=O)NO)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLSJPAJKYULYEV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCC(=O)Nc3ccccc3N)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTIUMESBJKPDGG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCCCC(=O)Nc3ccccc3N)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNWXGKAFUBYFM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(C(F)(F)F)c2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQSJECKEYLFTOJ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297454", "category": ["biolink:ChemicalEntity"], "name": "ABBV-744", "xref": ["InChIKey:OEDSFMUSNZDJFD-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1"], "synonym": ["Abbv-744", "ABBV-744"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSGOCXVBNJNAN-AXMKIEGESA-N", "SMILES:COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)C(=O)CC[C@@H]54)C3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBZCLXEVFDRFN-XVXKZKHMSA-N", "SMILES:COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](O)CC[C@@H]54)C3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSCLDSDTZOWSD-LZVCCOIWSA-N", "SMILES:COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)C(=O)C(C)(C)C[C@@H]54)C3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUVXNBDAPTXPR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICXBICOMMEYEL-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMDYUPAQFGQOKQ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSFATUUCYCYOR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHZNNCWKEUTDEE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cc(F)cc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUGJQJODHJQDG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2c(F)ccc(Cl)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOBLLZEKTWHCL-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGSYGPVASMPYGO-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(Br)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGYNWYGGDMZENM-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(Br)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZNQCJQHYLAPOE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(F)c(Cl)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEXPWXSCWXBTEP-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEVRZCSDFGRSPE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cc(F)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJMHPZPPBGVPQI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cc(F)cc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKYBZLLLVQZYFV-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cc(F)c(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFQJQYFDFHNAFV-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGISSFDXXIDIB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWJNYTDUTGMLAP-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(F)c(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUNLCJLNKVYEZ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cccc(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHPNFEHJLXKREV-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cc(F)c(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYADGIQERNGAGN-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(C(C)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDFULOXJVSWPK-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccco2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVAUXKXVCYRLD-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQDURQXGLQDCC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJUAKXIAIVQMRH-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCNC31CCCN(Cc2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYVLAKGCUCUNA-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccccc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLIUUJWBDOCBSB-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(Br)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWQUMRVFUGBTIX-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(Cl)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUHCYIZBGXNHZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)C1(CCN(Cc2ccc(F)cc2F)CC1)NCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRCNOBQUXCSCG-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(NC(=O)CNC(=O)c5ccc(-c6c7ccc(=[N+](C)C)cc-7oc7cc(N(C)C)ccc67)c(C(=O)[O-])c5)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBAPSFDLAEZGV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCC(=O)Nc4ccc(-c5cnc6[nH]cc(C(=O)c7c(F)ccc(NS(=O)(=O)Cc8ccccc8)c7F)c6c5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGHJPAIJJPKGK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCCCCC(=O)Nc4ccc(-c5cnc6[nH]cc(C(=O)c7c(F)ccc(NS(=O)(=O)Cc8ccccc8)c7F)c6c5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLIBGARNIPPKCL-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(NC(=O)CNC(=O)c6ccc(-c7c8ccc(=[N+](C)C)cc-8oc8cc(N(C)C)ccc78)c(C(=O)[O-])c6)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVDPITQWPRVKDE-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)NCCNC(=O)c6ccc(-c7c8ccc(=[N+](C)C)cc-8oc8cc(N(C)C)ccc78)c(C(=O)[O-])c6)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXDZVOFWULXHMA-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)NCCCNC(=O)c6ccc(-c7c8ccc(=[N+](C)C)cc-8oc8cc(N(C)C)ccc78)c(C(=O)[O-])c6)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLTPQLGAXBYOSA-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)NCCCCNC(=O)c6ccc(-c7c8ccc(=[N+](C)C)cc-8oc8cc(N(C)C)ccc78)c(C(=O)[O-])c6)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXWUELFJDYRKD-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)NCCCCCNC(=O)c6ccc(-c7c8ccc(=[N+](C)C)cc-8oc8cc(N(C)C)ccc78)c(C(=O)[O-])c6)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJZQOJFDGSPBFO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)NCCCCCCNC(=O)c6ccc(-c7c8ccc(=[N+](C)C)cc-8oc8cc(N(C)C)ccc78)c(C(=O)[O-])c6)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMYAHJSGALXOY-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(NC(=O)CNC(=O)c5ccc(-c6c7ccc(=[N+](C)C)cc-7oc7cc(N(C)C)ccc67)c(C(=O)[O-])c5)nc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGVZHPBCHEJFB-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)NCCCNC(=O)c6ccc(-c7c8ccc(=[N+](C)C)cc-8oc8cc(N(C)C)ccc78)c(C(=O)[O-])c6)nc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZGLHZGGWBLCHG-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)NCCCCNC(=O)c6ccc(-c7c8ccc(=[N+](C)C)cc-8oc8cc(N(C)C)ccc78)c(C(=O)[O-])c6)nc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWEPERXUVMKBJH-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)NCCCCCCNC(=O)c6ccc(-c7c8ccc(=[N+](C)C)cc-8oc8cc(N(C)C)ccc78)c(C(=O)[O-])c6)nc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FONNVGGVZQQTAC-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5cnc(C(=O)NCCCCNC(=O)c6ccc(-c7c8ccc(=[N+](C)C)cc-8oc8cc(N(C)C)ccc78)c(C(=O)[O-])c6)nc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRGMNFKDRVODJP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncccc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHLVNZZDNWUPOB-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(NC(=O)CNC(=O)OC(C)(C)C)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQOGPNUZXPYUHE-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(=O)NCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMXZZVIVCEUFF-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(=O)NCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCQGZXBWORSTTR-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(=O)NCCCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKLZXLGYRQMLHE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCCCCCCn1cc(COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAKSJUQLYNRLBF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCOCCn1cc(COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEICDSOLEYDNQO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCOCCOCCn1cc(COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRFWWVRYDNNKHQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUDMZPFXBSLGK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BELKIDBFFJQBHI-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGPACMCQWZVDBR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCC#Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPLUIPMBDJYDGZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCC#Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXXJDLWWAKLLK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCC#Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQRGYRIVXKJFJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVULVZXPNTVQHS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMNAZIKERTNMW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCCCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWZGCPSQBPQXGP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCCCCCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIVCKWVZBDRAE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQZGKGTSZKETO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXSYMFCRMFVAW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVLEBIVXZSOMQ-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHCSBLWRGCOVPT-UHFFFAOYSA-N", "SMILES:CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOEXBICCWJEIHU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(F)cc5)cc4)nn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJHFDUVFAPTIMP-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cc(CN5CCN(S(C)(=O)=O)CC5)cn4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEOYRMKVSITIGT-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cc(CN6CCN(S(C)(=O)=O)CC6)cn5n4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOIDPPLSSVLNES-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cc(CN6CCN(S(C)(=O)=O)CC6)cn5n4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFAGCJATMFYIDR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLNVJXJYBLKRD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2cc3c(N4CC5CCC(C4)O5)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFUFOYSAHFAROX-HNNXBMFYSA-N", "SMILES:C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)nn2cc(CN3CCN(S(C)(=O)=O)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCORAKOKHFQME-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(NC(=O)Nc5ccc(F)cc5)cc4C(F)(F)F)nn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIYPPSOVHIRKCV-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3cc(CN4CCN(S(C)(=O)=O)CC4)cn3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQAPGBFBJSIFA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3cc(CN4CCN(S(C)(=O)=O)CC4)cn3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRADPKFMNSELNN-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3cc(CN4CCN(S(C)(=O)=O)CC4)cn3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDDZOFLILWFGHD-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3cc(CN4CCN(S(C)(=O)=O)CC4)cn3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800252", "category": ["biolink:ChemicalEntity"], "name": "RISOVALISIB", "xref": ["InChIKey:KTLQDDGRBDLKMN-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3cc(CN4CCN(S(C)(=O)=O)CC4)cn3n2)cn1"], "synonym": ["Risovalisib", "Risovalisib", "Risovalisib", "Cyh 33", "Cyh33", "Risovalisib", "CYH-33"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKQAETTVBZVFCK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(NC(=O)Oc5ccccc5)cc4C(F)(F)F)nn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRPRUUOXIOWZSS-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])cc4c5c(cccc35)C(=O)N(CCN(C)C)C4=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMFEBJAOTVUTH-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3c(N4CCN(C(=O)c5ccccc5)CC4)c([N+](=O)[O-])cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688530", "category": ["biolink:ChemicalEntity"], "name": "ORITAVANCIN", "xref": ["InChIKey:VHFGEBVPHAGQPI-LXKZPTCJSA-N", "SMILES:CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O"], "synonym": ["Oritavancin", "Oritavancin", "Oritavancine", "Oritavancina", "Oritavancin", "Oritavancin", "LY-333328", "LY333328"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL507870", "category": ["biolink:ChemicalEntity"], "name": "TELAVANCIN", "xref": ["InChIKey:ONUMZHGUFYIKPM-MXNFEBESSA-N", "SMILES:CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O"], "synonym": ["Telavancin", "Telavancin", "Telavancine", "Telavancina", "Telavancin", "Telavancin", "Televancin"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4785392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTZVXBCRXOFQN-WXQOIDJRSA-N", "SMILES:CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2ccc1cc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BREWXUATBXFHGB-OMZBXOEKSA-N", "SMILES:Cc1ccc(S(=O)(=O)/N=C(\\CC2CCCCC2)N2[C@H](C)CCC[C@@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAZMTLCKUIJBL-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc(C(=O)OC(C)OC(=O)OC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIUCCGMXNHHRY-UHFFFAOYSA-N", "SMILES:CCOc1nc2cc(C(=O)OC(C)OC(=O)OC3CCCCC3)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOJGTJDSQIZYEO-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnnn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRUXDAYXYOHZPV-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITYNUBLMGXISME-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)Nc3ccc(F)cc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWUXSPZVCYDPOS-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3221894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKVIGBNDFYVSO-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMBCTZDTLYROO-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTYCECSHUMZDN-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCCc3ccc(Br)cc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSJSWXDPPGLOT-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGOOLNJMMDSCTJ-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCCc3ccc(Cl)cc3Cl)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOSZMJUMNFHOR-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCCCCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQMAPOBCLLHPF-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCCc3c(Cl)cccc3Cl)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCCDEFIPAPKIQP-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCCc3cc(Cl)ccc3Cl)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTTCOMODRCGBHJ-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCCc3cccc(OC)c3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLWHMJJNHXMGO-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCCc3ccccc3Cl)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNBOKIOOWDEQLT-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCCc3ccc(Cl)cc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKBHCOQIBOUBOQ-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFMDLMSUZMRKKH-SFQUDFHCSA-N", "SMILES:CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5ccccn5)cc(C)nc34)c2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUKKAZMVBFPUDU-WBJPGKSWSA-N", "SMILES:Cc1cc(OCc2ccccn2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(/C=C/c5ccncc5)nc4)c3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXMCFJQQOFOBKN-RVDMUPIBSA-N", "SMILES:COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NC(C)=O)nc4)c3Cl)cccc2n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1600876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLNOTWJHWBZEE-UHFFFAOYSA-N", "SMILES:Brc1ccc(CSc2[nH]cnc3ncnc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1402653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOOURJUHZNGIV-UHFFFAOYSA-N", "SMILES:Clc1ccc(CSc2[nH]cnc3ncnc2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBRDHOJAHBCLCW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CSc2ncnc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIQGBPQLPCTAJ-UHFFFAOYSA-N", "SMILES:c1ccc(CSc2ncnc3[nH]cnc23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBOZMVBQBMNCO-UHFFFAOYSA-N", "SMILES:Ic1ccc(CSc2ncnc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYFLXQFNVUEPL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(CSc2ncnc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKQGHSFGJJURHZ-UHFFFAOYSA-N", "SMILES:CSc1ccc(CSc2ncnc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFAOWRCIGSQBSV-UHFFFAOYSA-N", "SMILES:Clc1cccc(CSc2ncnc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZWOSDQVCHVJMK-UHFFFAOYSA-N", "SMILES:Ic1cccc(CSc2ncnc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVGINQLSNFIIQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(CSc2ncnc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBZRGGKZPKPNBA-UHFFFAOYSA-N", "SMILES:COc1cccc(CSc2ncnc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBRFYTXQKPWMEZ-UHFFFAOYSA-N", "SMILES:Fc1cccc(CSc2ncnc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXGGQFJDPNXJL-UHFFFAOYSA-N", "SMILES:Brc1ccccc1CSc1ncnc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITSATWAZDKOBF-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CSc1ncnc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKZWCHQWAGZPA-UHFFFAOYSA-N", "SMILES:Ic1ccccc1CSc1ncnc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWBRROCBSQQQBQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1CSc1ncnc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOOBPJVPKDQRM-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCSc2ncnc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYALJIXXNAKQP-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCSc2ncnc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCWWIAUMSPJKBG-UHFFFAOYSA-N", "SMILES:Clc1cccc(CCSc2ncnc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVPKCJXXCXFFFT-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CCSc1ncnc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNRHVBRKSFFLMP-UHFFFAOYSA-N", "SMILES:Clc1cccc(COc2ncnc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGNTZMWOEYXGLV-UHFFFAOYSA-N", "SMILES:Brc1ccc(COc2ncnc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEBPANKEZPWZQP-UHFFFAOYSA-N", "SMILES:c1ccc(CSc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJKXEPNDGPKNZ-RMKNXTFCSA-N", "SMILES:CCN(C)C(=O)N1CCN(C(=O)/C=C/c2ccc(F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOUEQHNTFGTEI-WMZOPIPTSA-N", "SMILES:c1ccc([C@H]2CCC[C@@H](CCN3CCCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYBYYRNPRPPBBV-GDBMZVCRSA-N", "SMILES:CN(C)CC[C@H]1CCC[C@@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYBYYRNPRPPBBV-HOCLYGCPSA-N", "SMILES:CN(C)CC[C@@H]1CCC[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYBYYRNPRPPBBV-UHFFFAOYSA-N", "SMILES:CN(C)CCC1CCCC(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJMFGKSEHJCEGB-UHFFFAOYSA-N", "SMILES:c1ccc(CCCCNCCC2CCCC(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLAKSDPAPMJKU-GHTZIAJQSA-N", "SMILES:c1ccc(CNCC[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLAKSDPAPMJKU-NQIIRXRSSA-N", "SMILES:c1ccc(CNCC[C@H]2CCC[C@H](c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLAKSDPAPMJKU-WIYYLYMNSA-N", "SMILES:c1ccc(CNCC[C@H]2CCC[C@@H](c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLAKSDPAPMJKU-RXVVDRJESA-N", "SMILES:c1ccc(CNCC[C@@H]2CCC[C@H](c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCNKBDRLMNOEE-GXTWGEPZSA-N", "SMILES:NCC[C@@H]1CCC[C@@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCNKBDRLMNOEE-OCCSQVGLSA-N", "SMILES:NCC[C@H]1CCC[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCNKBDRLMNOEE-TZMCWYRMSA-N", "SMILES:NCC[C@H]1CCC[C@@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCNKBDRLMNOEE-JSGCOSHPSA-N", "SMILES:NCC[C@@H]1CCC[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOUEQHNTFGTEI-FUHWJXTLSA-N", "SMILES:c1ccc([C@@H]2CCC[C@@H](CCN3CCCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRTQLIULUQYXGU-GMAHTHKFSA-N", "SMILES:c1ccc([C@H]2CCC[C@@H](CCN3CCN(c4ccccc4)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRTQLIULUQYXGU-GGAORHGYSA-N", "SMILES:c1ccc([C@H]2CCC[C@H](CCN3CCN(c4ccccc4)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQPFDQILOPMFFB-IZZDOVSWSA-N", "SMILES:COc1cc(/C=C(\\C#N)c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBFLYNYWMZEMR-WUXMJOGZSA-N", "SMILES:COc1cc(/C=C(\\C#N)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVJKSVBFQMJOPZ-CHHVJCJISA-N", "SMILES:COc1cc(/C=c2\\sc3nc4ccc([N+](=O)[O-])cc4n3c2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQEQASSUQRJVGY-PXNMLYILSA-N", "SMILES:COc1cc(/C=c2\\sc3nc4ccc([N+](=O)[O-])cc4n3c2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXZNPKOBFVKOT-IUXPMGMMSA-N", "SMILES:COc1cc(/C=c2\\sc3nc4ccc(NC(C)=O)cc4n3c2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOHQSYSWVJOIOT-NVMNQCDNSA-N", "SMILES:COc1cc(/C=c2\\sc3nc4ccc(NC(C)=O)cc4n3c2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTVIKJHKHJKIQW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2csc3nc4ccc([N+](=O)[O-])cc4n23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNLGCAGLHEGOS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2csc3nc4ccc(N)cc4n23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJCPUMABWWZKT-UHFFFAOYSA-N", "SMILES:O=C(NC(Cn1ccnc1)C(=O)NCc1ccncc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPPUYRWTXDJIE-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cccc2ccccc12)C(=O)NC(Cn1ccnc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLZMSHCMNFJYHQ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C(c2ccccc2)NC(=O)N1"]}
{"name": "Bifunctional dihydrofolate reductase-thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL4614"], "id": "UniProtKB:P07382", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5664"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDBSYJBKQOZRH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C(c2ccc(C)cc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLKQCHVDLYOGIM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBWFGZHAOVGKV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIYQTRPSBVORD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C(c2ccc(Cl)cc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTTYEJCBYSIJNU-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(C(=O)NC(C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAAMNIQSVOHUSZ-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTNBRSFEBYDJGE-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYGJQSXOPRLEV-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQNIUXUNSQHPLW-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(Cc1cc2ccccc2[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHNKWTJRDBTSID-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAGLQPNSTVFEMO-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPCNVSHFDYCDFM-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(C(=O)NC(Cc2cc3ccccc3[nH]2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRALFIYXTYQKRH-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(CNc3ccc(C(=O)N4CCC(C(=O)O)CC4)cc3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBKRVRFLAIDJIK-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(C(=O)c2ccc(Nc3cnc4cc(C(F)(F)F)ccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYFMXSNNXPPRD-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)cc2nc(-c3ccccc3)c(Nc3ccc(C(=O)N4CCC(C(=O)O)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLHXMFCJGTDTK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc2ccccc2nc1Nc1ccc(C(=O)N2CCC(C(=O)OC)CC2C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL533684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFMKPWQUJBLWEK-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2cc(CNc3ccc(Cl)c(Cl)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2005041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQIBAKBLAPNEL-NTCAYCPXSA-N", "SMILES:Nc1nc(N)c(CCCCc2ccccc2)c(/C=C/c2ccc([N+](=O)[O-])cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL172782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTSXZTUPJDTHHB-HMSDUJDUSA-N", "SMILES:COC(=O)/C(C#N)=C/c1ccc(/C=C/c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1967575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVRRQMGGGTQRH-LHYGDETCSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2006905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVRRQMGGGTQRH-GYOUQHOJSA-N", "SMILES:CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4789934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEYHNJRSCNXSO-IQXGBBENSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(CC)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEYHNJRSCNXSO-SXRGTPKPSA-N", "SMILES:CC[C@H]1CN(C)[C@H]2Cc3c(n(CC)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRUVQFQFGIENO-LBXXQKFWSA-N", "SMILES:CCCn1c2c(c3ccccc31)C[C@H]1C(C(=O)OC)[C@H](CC2=O)[C@H](CC)CN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRUVQFQFGIENO-WBNGRTMGSA-N", "SMILES:CCCn1c2c(c3ccccc31)C[C@H]1C(C(=O)OC)[C@H](CC2=O)[C@@H](CC)CN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLPISKNXJKWBMN-LBXXQKFWSA-N", "SMILES:C=CCn1c2c(c3ccccc31)C[C@H]1C(C(=O)OC)[C@H](CC2=O)[C@H](CC)CN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMKNGJKOZAYFGG-LBXXQKFWSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(CCCO)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCAJDXDIDNJSI-PWPNFUGASA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCAJDXDIDNJSI-AQZUQCMCSA-N", "SMILES:CC[C@H]1CN(C)[C@H]2Cc3c(n(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZIRBAZFTXMLCS-PWPNFUGASA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4ccc(Br)cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZIRBAZFTXMLCS-AQZUQCMCSA-N", "SMILES:CC[C@H]1CN(C)[C@H]2Cc3c(n(Cc4ccc(Br)cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSFVIRYCINOEAP-WSDSZJOHSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4ccc(OC)cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSFVIRYCINOEAP-HPBNYZBVSA-N", "SMILES:CC[C@H]1CN(C)[C@H]2Cc3c(n(Cc4ccc(OC)cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCTOPGAOBRPRBQ-PWPNFUGASA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFVHIBPOEZKTQB-VWGXVOECSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4ccc(C(=O)c5ccccc5)cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLABNLJNLVCQF-NRBRUNNWSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4ccc(C)cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AANSKPBKCYRDSQ-PWPNFUGASA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4cccc(Cl)c4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFKLMDUQSONRL-PWPNFUGASA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGAURJDAIYPUKU-NRBRUNNWSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4cccc(C)c4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSHHGJHMMIHMA-WSDSZJOHSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4cccc(OC)c4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVFMJPCKBHLUBY-GRPVIDCHSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4cc(OC)cc(OC)c4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTOZDULHZZLPKA-WSDSZJOHSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4ccccc4C)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHBKOIRIJWMFO-BIZSKIPPSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(Cc4ccccn4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZZSBNPQLDOIA-WSDSZJOHSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(CCc4ccc(Br)cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPOOZGFIFBTKA-PZXHPZAMSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(CCc4ccc(OC)cc4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYVHKSOTGVORG-WSDSZJOHSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(CCc4cccc(Br)c4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHZCCJKIPLOIH-PZXHPZAMSA-N", "SMILES:CC[C@@H]1CN(C)[C@H]2Cc3c(n(CCc4cccc(OC)c4)c4ccccc34)C(=O)C[C@H]1C2C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPLSLRVLPZQKM-UHFFFAOYSA-N", "SMILES:Cc1cc(COC(=O)NCCCCNc2c3c(nc4ccccc24)CCCC3)c(OCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(COC(=O)C(C)c2ccc(CC(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKELAQDUKQZHFA-UHFFFAOYSA-N", "SMILES:Cc1cc(COC(=O)NCCCCCCNc2c3c(nc4ccccc24)CCCC3)c(OCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(COC(=O)C(C)c2ccc(CC(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIQEXFDJREECO-UHFFFAOYSA-N", "SMILES:Cc1cc(COC(=O)NCCNc2c3c(nc4ccccc24)CCCC3)c(OCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(COC(=O)C(C)c2ccc(CC(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVNDYJAIWLTIPT-UHFFFAOYSA-N", "SMILES:Cc1cc(COC(=O)NCCCNc2c3c(nc4ccccc24)CCCC3)c(OCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(COC(=O)C(C)c2ccc(CC(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRMZGFQTDQNKQV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(-c4ccccc4)nn3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFINKDXGCQDBIO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Br)cc1NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILMMPTNONXIIHA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Br)cc1NC(=O)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCLIMBTUYGEBNJ-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFDXZRHUWJITL-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(CCN3CCOCC3)nn2)cc1NC(=O)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNDSYDDXDCLFIQ-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(CCN3CCCC3)nn2)cc1NC(=O)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMNYDIHPHLOQL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(CCN3CCOCC3)nn2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARNNVTUWBERKH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(CCN3CCCC3)nn2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEFNHXKKVLWDIS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(CCO)nn2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHPUGQPFRNQHJE-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHKBDDBBJHPDK-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1ccc2c(n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCLDHRSUDWODEG-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1cccc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBTUQKYQLLEXIU-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1cccc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHKQLPGNXYCFCB-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1cccc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYGRWURGLTYOSJ-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1ccc(OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIFVCEARKRPLAN-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1cccc(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHUUHFEVHHJMS-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1cccc([N+](=O)[O-])n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVJIOHEAZERMA-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1cccc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSMRLVJZUSQLSC-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1NC(=O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMEYJHWTIJSWLP-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(-c2cn(CCO)nn2)cc1NC(=O)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQIQPMPSVCYOGX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)c(O)c(-c3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFDZRCPILIJRMN-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2)c2ccccc2n(Cc2ccc(C(=O)NO)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDCFURJCQRGUOM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)c(OCc3ccccc3)c(-c3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRZDPSVUHODBV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(COc2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASUSNDQLHGKBEM-UHFFFAOYSA-N", "SMILES:C#CCn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCWVAXKRQUQGW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(Cc3ccncc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBRHLGFUOFBFM-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(Cn2c(=O)c(OCc3ccc(C(=O)NO)cc3)c(-c3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLRPCAWCQQUBY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2cccnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSSWMSQMPCQQX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(COc2c(-c3cccnc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIGUQGGMWRWVNK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(COc2c(-c3cccnc3)c3ccccc3n(Cc3ccncc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZWQUCQSANRYGU-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(Cn2c(=O)c(OCc3ccc(C(=O)NO)cc3)c(-c3cccnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNNACDVGTXZKNZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(C2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGHORWDNODAKT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)c(O)c(-c3cccnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNBKHKJGIRTDK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDXGYIFEIWZSI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNTVWPBGIYDTK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(C3CCN(Cc4ccccc4)CC3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778760", "category": ["biolink:ChemicalEntity"], "name": "LY-3381916", "xref": ["InChIKey:NUBWFWVVKLRSHS-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCN2C(=O)C1CCOCC1"], "synonym": ["Ly-3381916", "Ly3381916"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHVIXMMITPHBSL-QBFSEMIESA-N", "SMILES:Nc1nonc1/C(=N/O)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYCPKLOYXSKAB-FGZHOGPDSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc([C@H]3C[C@H]3C(=O)O)ccc2N(CC(C)C)CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRNZRRNRLLXQLD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(F)(F)F)c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1970485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUESBWOCHRCRBK-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWQXMKOVSPSKI-UHFFFAOYSA-N", "SMILES:NC(=O)c1n[nH]nc1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVNJUSZTOATIN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCCNC(=O)c1n[nH]nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYHDVKQSCBSFD-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWPAZBCJCJMBGM-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(C2CC2)nn1)NCc1cnc2scc(-c3ccc(Br)cc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWWIOCNZXFHEC-UHFFFAOYSA-N", "SMILES:COP(C)(=O)NCCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNSKMLAOMNPYLM-UHFFFAOYSA-N", "SMILES:O/N=C(\\Nc1ccc(F)c(Br)c1)c1cccc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWKGLPRWBFNKX-OAHLLOKOSA-N", "SMILES:CC(C)CN(CC(C)C)c1ccc([C@H](C)CC(=O)O)cc1NCNc1nc(C(F)(F)F)ns1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOVWQVFKHJGRN-WOJBJXKFSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc([C@H]3C[C@H]3C(=O)O)ccc2N(CC(C)C)C2CCCCC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWCVRBITQFSFP-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(-c2c(C(=O)O)ccc3ccccc23)cc1NC(=O)Nc1ccc(Br)cc1F)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNKAWRJOHQHFT-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(N(CCCl)CCCl)c1)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQZWOPTIZSOAW-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCOCCOCCNCCNc4nonc4/C(=N/O)Nc4ccc(F)c(Br)c4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOAEJCTWDEGOG-UHFFFAOYSA-N", "SMILES:C=C1OC2=C(C(=O)c3ccccc3C2=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJRUSOEFAOLLP-UHFFFAOYSA-N", "SMILES:Cc1c(C)n(CC(O)CNc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275224", "category": ["biolink:ChemicalEntity"], "name": "NORHARMANE", "xref": ["InChIKey:AIFRHYZBTHREPW-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1cnccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4740878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOLIDDZNWEXAN-UHFFFAOYSA-N", "SMILES:COC1=C(OC)C(=O)C(Nc2cccc(Br)c2)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDIIRJQNPUDIHM-UHFFFAOYSA-N", "SMILES:O=C1c2nnn(Cc3ccccc3)c2C(=O)c2nnn(Cc3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILXMKJHNZOYTK-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)C=Cc2c1ccc1c2C(=O)C(=O)c2c(CO)coc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTEYEFPSJPSRRA-NRFANRHFSA-N", "SMILES:CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1O)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4745462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRYXFLHFQWRHS-BYPYZUCNSA-N", "SMILES:O=C(O)C[C@H]1CNC(=S)c2cc(Br)c(Br)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBMNPCDUBKACW-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)NC(=S)Nc2c(O)ccc3ccccc23)cc(OCC)c1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1142", "category": ["biolink:ChemicalEntity"], "name": "4-AMINOPHENOL", "xref": ["InChIKey:PLIKAWJENQZMHA-UHFFFAOYSA-N", "SMILES:Nc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4593283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRPWWVNUCXQDQV-UHFFFAOYSA-N", "SMILES:COc1cc(CN)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4294643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCNBYOWWTITHIG-UHFFFAOYSA-N", "SMILES:COc1cc(N)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLQFHJKRTDIZLX-UHFFFAOYSA-N", "SMILES:COc1ccc(N)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTOSRUBOXQWBO-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMGFFLBKVOJLW-UHFFFAOYSA-N", "SMILES:NCc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL123254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVLMCRFQGHWOPM-ZKWNWVNESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCc1ccc(O)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL472898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNIXBNUUGFHGQG-ZKWNWVNESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIGZRMXMDQRNO-ZKWNWVNESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc(OC)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWJHPBUSXDXOJ-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKZQWKFZALMAFI-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWXPDNYWQZXRX-UHFFFAOYSA-N", "SMILES:O=C1C=CC2(C=C1)OCC(=O)N2c1nc(-c2cccc3ccccc23)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWXOXKHLFTJBA-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2ccccc2Br)cc1)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNJDUDKGSZXQK-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGRLAXKZSFZOE-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSCCFZPTVXLYQB-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)COc2ccc(C(=O)c3cc(Cl)ccc3Br)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFIDLSHVTLNDFB-UHFFFAOYSA-N", "SMILES:Cc1cnccc1NC(=O)COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSFVNWKPHXPOQY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)COc2ccc(C(=O)c3cc(Cl)ccc3Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBFBQCWEUCCFFN-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NC(=O)COc2ccc(C(=O)c3cc(Cl)ccc3Br)cc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKGFJDGCMLTOQP-UHFFFAOYSA-N", "SMILES:COc1ccc(C#N)cc1NC(=O)COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSAZCULIRAIHQB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cl)c(NC(=O)COc2ccc(C(=O)c3cc(Cl)ccc3Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVPIKGMIUQGRK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#N)cc1NC(=O)COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVFKADOQURGGI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)COc2ccc(C(=O)c3cc(Cl)ccc3Br)cc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDLUWIWMVOVTMH-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(NC(=O)COc2ccc(C(=O)c3cc(Cl)ccc3Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFQYXWBDNUWYJN-UHFFFAOYSA-N", "SMILES:N#Cc1cncc(NC(=O)COc2ccc(C(=O)c3cc(Cl)ccc3Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWUEASWCKSIJP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3cc(Cl)ccc3Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWEOXCOOQSPPBO-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3cc(Cl)ccc3Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBLUKUGZNWUDJ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1cccc(C(=O)NCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAGMQSJTOVNKI-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1cccc(C(=O)NCC2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAOADQGDTCODKC-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1cccc(C(=O)NC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLFXFYYOUBFLO-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1cc(Cl)cc(C(=O)NCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZABZIFBWOMLE-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1ccc(Cl)c(C(=O)NCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQXHFPHDHHYWNZ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1cccc(C(=O)NCC2CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSZJJHSRDYRLNH-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1cncc(C(=O)NCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTKQUNMXLKSAR-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1ccnc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYVTZWDOZXYKS-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)c2cc(Cl)ccc2Br)cc1)Nc1ccnc(C(=O)NCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFNQPNJGEZOKCM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCN2CCC(c3ccncc3)CC2)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHFUOIGTIQCKRH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSQXDRFQNCOTQI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUVEPMRKNDOFH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNYOKLNTEPFXKX-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWVIGRCTIKWRY-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRXKBKSVWAOOCI-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MROYQSNDBHFVIZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFZGIVYVXGFKHW-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHHQAGWNNWQNI-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXYUJQPRFLTRZ-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNHJCOHIEQSSKV-UHFFFAOYSA-N", "SMILES:c1ccc2cc(OCCCN3CCN(c4ccncc4)CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14690", "category": ["biolink:ChemicalEntity"], "name": "CLOBENPROPIT", "xref": ["InChIKey:UCAIEVHKDLMIFL-UHFFFAOYSA-N", "SMILES:N=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14638", "category": ["biolink:ChemicalEntity"], "name": "CIPROXIFAN", "xref": ["InChIKey:ACQBHJXEAYTHCY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPARRMQGLNFBBR-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129542", "category": ["biolink:ChemicalEntity"], "name": "JNJ-5207852", "xref": ["InChIKey:PTKHFRNHJULJKT-UHFFFAOYSA-N", "SMILES:c1cc(OCCCN2CCCCC2)ccc1CN1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4162433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKLFQQNBDBBTHX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCCCN2CCN(c3ccncc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POAUPBITMOGOTG-HXUWFJFHSA-N", "SMILES:CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJXFZKXYKKBTDR-LJQANCHMSA-N", "SMILES:CN(C)[C@@H]1CCN(CCCOc2c(F)cc(-c3ccc(C#N)cc3)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXIPXWLVYIHFEP-OAQYLSRUSA-N", "SMILES:CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWZAHSTSRSSRK-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSHITCQLOVXMK-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTZXNLRWKFSLBG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3O4)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCYYVIGKINALS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXJAUSSARLMGY-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMMCVLSOZWRYOH-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRQFPFFRUWGOQS-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPHBFQODWPAYAW-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZCTOHRNGPLHI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3O4)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFOZHUZCCYHRD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3O4)c3ccccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTOHKQLQHCHPDN-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(N)cc4)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFXZDAJIYKJWCO-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3O4)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLHYZWIDCNHHOE-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccn4)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKJVXQCQXJXMN-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBBKCPPJFHIBS-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(N4CCNCC4)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCARFQBDEFTXCL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3O4)c3ccccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUPHUVOKIDKTSX-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(N4CCOCC4)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKOVUVGLNCMZMG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXNWEKMWRNUHTK-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(Cl)nc4ccccc34)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDXZRCSJDRAQF-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAXTYONAWFIIIP-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFULOVOQBJRIP-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDLAYXJCVDNKAB-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAHLADLSHPHINT-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLPEGNTHBEWMH-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJYKMKUWINJDPU-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(S(=O)(=O)C(C)C)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRZECYCVUTTEY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(C#N)cc4C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXRKOSHUJYSQE-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCSCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZWRXBLAOPTWIV-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CC[S+]([O-])CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRHNBXYAIQWSQ-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAWNLOKTKSILNI-FNORWQNLSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCCN(S(=O)(=O)N(C)C)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMCZYFZRSVQLTR-AATRIKPKSA-N", "SMILES:CCS(=O)(=O)N1CCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(/C=C/C#N)cc4C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFGVSDJEOIAMQ-AATRIKPKSA-N", "SMILES:C=CC(=O)N1CCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(/C=C/C#N)cc4C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHOGNFPRPATGY-UHFFFAOYSA-N", "SMILES:CC(C)NCCOc1ccc2c(c1)OC(C)(C)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQYGNNCRWYYAZ-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2ccc(OCCNC3CCCC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMAWWOQCISRTOC-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2ccc(OCC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSQRILIVPTYRAW-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc3c(OCc4c(Cl)cccc4Cl)cccc3c3c2CCC(C)(C)O3)CC(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDOGUCFEWPCGQ-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc3c(OCc4ccc(Br)cc4)cccc3c3c2CCC(C)(C)O3)CC(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPBXUAVTRHOQKC-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(Cn3cnnn3)cc3c(OCc4ccccc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSZMBXDPXDDDN-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(Cn3cnnn3)cc3c(OCc4ccc(OC(F)(F)F)cc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHBLUVGXAWFJE-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(Cn3cnnn3)cc3c(OCc4ccc([N+](=O)[O-])cc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWICBUFORZZYNT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(COc2cccc3c4c(c(Cn5cnnn5)cc23)CCC(C)(C)O4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJSBAUBMUAAAL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(COc2cccc3c4c(c(Cn5cnnn5)cc23)CCC(C)(C)O4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBDNHQMQRZZALI-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(-c3nnco3)cc3c(OCc4ccccc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXAAEBQRJFLXES-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2cccc3c4c(c(-c5nnco5)cc23)CCC(C)(C)O4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYVNFMKCTRGVAA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1COc1cccc2c3c(c(-c4nnco4)cc12)CCC(C)(C)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMAGXQGVUBMHBF-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2cccc3c4c(c(-c5nnco5)cc23)CCC(C)(C)O4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQIAEJDBELUIIN-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(-c3nnco3)cc3c(OCc4ccc(C#N)cc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRJNUBLLQYPZRU-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(-c3nnco3)cc3c(OCc4ccc([N+](=O)[O-])cc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHXJAPCBRNGFY-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(-c3nnco3)cc3c(OCc4ccc(F)cc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVVBVWONGWLRC-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(C(=O)O)cc3c(OCc4ccccc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECUNNPHPGHSNY-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2cccc3c4c(c(C(=O)O)cc23)CCC(C)(C)O4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVLQKHPSXEICO-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(C(=O)N3CCOCC3)cc3c(OCc4ccccc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJFKCRCJGBXLZ-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2cccc3c4c(c(C(=O)N5CCOCC5)cc23)CCC(C)(C)O4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYFVYAHVVREQM-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(C(=O)N3CCOCC3)cc3c(OCc4ccc(C(F)(F)F)cc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHXFIVKTTOGIHM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(COc2cccc3c4c(c(C(=O)N5CCOCC5)cc23)CCC(C)(C)O4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZKYJDFEPMADG-RYUDHWBXSA-N", "SMILES:C[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4073412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOBDJFUQVORKE-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1cc(C(N)=O)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDFMANXRJVPJAJ-YHYXMXQVSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(C=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBHNILDGJPMCU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFPSFENQCNMITC-MRXNPFEDSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFHDWRIVDDIFRP-UHFFFAOYSA-N", "SMILES:CCC(CC)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIBZSZLMJDVDQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHBPZAKJMTXPV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGDUEUOSWFHQIH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)nc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOEYWCFDZQOUQM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTWDAYNGMMHLV-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)nc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPJNKUOXBZSZAI-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1608462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHUNRACMOTTER-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIMUWTGRAKIIDX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCNCC4)cc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414621", "category": ["biolink:ChemicalEntity"], "name": "TAZEMETOSTAT", "xref": ["InChIKey:NSQSAUGJQHDYNO-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"], "synonym": ["Tazemetostat", "Tazemetostat", "Tazemetostat", "E-7438", "E7438", "EPZ-6438", "EPZ6438", "Tazemetostat"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Histone-lysine N-methyltransferase EZH2", "xref": ["CHEMBL.TARGET:CHEMBL4739840"], "id": "UniProtKB:B5DFE2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVJNSVNICWODC-KIDMSAQOSA-N", "SMILES:CN(C)[C@H]1CN(C2CCc3cccc(F)c32)C[C@@H]1c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEABDKBNQNHHCB-RPWUZVMVSA-N", "SMILES:CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNBLAXWKGGOHU-KNQAVFIVSA-N", "SMILES:CN(C)[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cn(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNFUMWCOKCILM-OFNKIYASSA-N", "SMILES:Cc1cccc(F)c1CN1C[C@H](c2cn(C)c3ccccc23)[C@@H](N(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAWMNFFOVCNWGF-QREQTRJTSA-N", "SMILES:CN(C)[C@H]1CN(C2CCc3cccc(F)c32)C[C@@H]1c1cn(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONKOMBKMLYRBQ-XWYQMZBESA-N", "SMILES:CC(=O)N1CCN(c2ccc([C@H]3CN(C4CCc5cccc(F)c54)C[C@@H]3N(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIBABIFOBYHSV-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYIRSNMPIZZNBK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETJYYFBSYAFDG-GKKOWRRISA-O", "SMILES:COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOPPCLMRKMEKM-WPMUBMLPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN(C)C(C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPURZZOPLJWEKA-IIZANFQQSA-N", "SMILES:CC(C)N(C)CCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQIQJFXBAJJKNT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCNC(=O)CC56CC7CC(CC(C7)C5)C6)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSOTYMFUWTIIR-HUSBZTEESA-N", "SMILES:Cc1nc(CCC(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFJUWLIBSALJI-FENRPDQVSA-N", "SMILES:Cc1nc(CCC(=O)NCCOc2ccc(OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)cc2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNNFXIBKLCMTI-WXEAQWFJSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(-c3cnc(NCc4ccco4)n4cnnc34)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRIPNKUBZNZQN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Cn2cc(-c3ccc4c(N)n[nH]c4c3)ccc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUFOBMZPSQAJRA-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(C(F)(F)F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQVUADHJKWJHAF-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHGPHDXAKOIJJ-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHHTOOYELYHTE-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4ccccc4F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIRSNKXGOCRFCT-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4ccccc4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYIZARYDRMKISJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFORULEXOZBAQ-UHFFFAOYSA-N", "SMILES:Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXSJAZHNLZZFG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHOTNCJTRATHT-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANSWFPISOOZGZ-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVXHSDUKHSDIIZ-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEBJJJVAANGHLJ-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKQXBZXZYIRIU-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDELWNRTTCPMLW-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCCFIMHYOFIWHJ-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCSAIKGXBLLWTR-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMGPJZFKRNRWDG-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTGUINFYHCVGGL-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMLMBHVOASBVOW-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQFWQXAZJXVSH-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2n[nH]c3ncc(Br)cc23)cn1Cc1ccccc1"]}
{"name": "Serine/threonine-protein kinase RIO3", "xref": ["CHEMBL.TARGET:CHEMBL5659"], "id": "UniProtKB:O14730", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYLNWKIHCJFRN-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3c(F)c(-c4c(O)cccc4F)ncc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRVACALMOTTCZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cc(C(=O)N3CCN(c4cc(-c5cnc(N)cc5C(F)(F)F)nc(N5CCOCC5)n4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRSWNBJAEPTEMN-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cc(C(=O)N3CCN(c4cc(-c5cnc(N)nc5)nc(N5CCOCC5)n4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBUIWUDKADDAKC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5cnc(N)cc5C(F)(F)F)nc(N5CCOCC5)n4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVDXJJYSVRAJX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5ccc(N)nc5)nc(N5CCOCC5)n4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFAAEFWFKRACI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5cnc(N)nc5)nc(N5CCOCC5)n4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSXOUJVOSGXCJM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5ccc(N)c(F)c5)nc(N5CCOCC5)n4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFLSWNHNQNUNO-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5ccc6[nH]ccc6c5)nc(N5CCOCC5)n4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAIABHDMOLQDA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5cnc(NC(=O)CN6CCOCC6)cc5C(F)(F)F)nc(N5CCOCC5)n4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZGAFMLTVWNDEJ-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIPQAQRLGOADCY-WLHGVMLRSA-N", "SMILES:CCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284237", "category": ["biolink:ChemicalEntity"], "name": "DIZOCILPINE", "xref": ["InChIKey:LBOJYSIDWZQNJS-CVEARBPZSA-N", "SMILES:C[C@]12N[C@H](Cc3ccccc31)c1ccccc12"], "synonym": ["Dizocilpine", "Dizocilpina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEORJKXFQOKPB-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(CCNCc3cccc(OCc4ccccc4)c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENJSKAOFDSWLX-UHFFFAOYSA-N", "SMILES:Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONKXHNAFAWJKO-WLHGVMLRSA-N", "SMILES:O=C(O)/C=C/C(=O)O.Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOPCECKRFIMLX-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(-c2ccccc2)cc2c1c(=O)[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUKYVNIYFDOOU-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c2cc(-c3ccccc3)cc(Nc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPNMZNDXGMZXMR-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(-c3ccccc3)cc3c2c(=O)[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMCMPSMSBPGVKY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2cc(-c3ccccc3)cc3c2c(=O)[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZMJHHPSBSMFHP-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c2cc(-c3ccccc3)cc(Nc3ccc(F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCCKGFVSHUDQR-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cc(Nc3ccccc3)c3c(=O)[nH]c4ccccc4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBXJDZFFRJRWBY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(Nc3ccccc3)c3c(=O)[nH]c4ccccc4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRGCMMSBNAMSJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(Nc3ccccc3)c3c(=O)[nH]c4ccccc4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTPANJZDIMFYLC-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(-c3ccccc3)cc3c2c(=O)[nH]c2c(OC)c(OC)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFPMTVDTVJUOFI-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(-c2cccs2)cc2c1c(=O)[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCAULMHEVXFBGL-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(-c3cccs3)cc3c2c(=O)[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRZYXKJFZIDIO-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(-c3ccco3)cc3c2c(=O)[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXUNHJFSNCZRR-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c2cc(-c3cccs3)cc(Nc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPNBHGFIWFOTQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c2cc(-c3ccco3)cc(Nc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZBKITMQALVGQE-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c2cc(-c3cccs3)cc(Nc3ccc(F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJJBIMJHOWHDY-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c2cc(-c3ccco3)cc(Nc3ccc(F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSMJWZNMHGYXQW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2cc(-c3ccco3)cc3c2c(=O)[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLUGPPFXRHPACW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ccc3cc(NC(=O)Nc4ccc(N5CCN(C)CC5)c(C(F)(F)F)c4)ccc32)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVJORWMZBFGFB-BYSQADMESA-N", "SMILES:Cn1c(C(C)(C)C)c/c(=N\\C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)O)n1C[C@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBKBYJFDOBZPHK-MRXNPFEDSA-N", "SMILES:CC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)Oc1cc(C(C)(C)C)nn1C[C@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUFBHTSQDQVKLS-MRXNPFEDSA-N", "SMILES:CC(C)(O)COc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(C)(C)C)nn1C[C@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMNFXOCFKDKOP-LJQANCHMSA-N", "SMILES:CC(C)(O)COc1ccc(C(F)(F)F)cc1-c1ccc2c(C(C)(C)C)nn(C[C@H]3CCCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEVAMBVVGUZLX-MRXNPFEDSA-N", "SMILES:CC(C)(O)COc1ccc(C(F)(F)F)cc1-c1ncc2c(C(C)(C)C)nn(C[C@H]3CCCO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDDIPBLHYKZCF-OAHLLOKOSA-N", "SMILES:CC(C)(O)COc1ccc(C(F)(F)F)cc1-c1nnc2c(C(C)(C)C)nn(C[C@H]3CCCO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTVHLZBUVVANV-MRXNPFEDSA-N", "SMILES:CC(C)(O)COc1ccc(C(F)(F)F)cc1C(=S)Nc1cc(C(C)(C)C)nn1C[C@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFXVJXGZQHBCY-MRXNPFEDSA-N", "SMILES:CC(C)(O)COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cc(C(C)(C)C)nn1C[C@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQLCFDYKHIHUHM-HXUWFJFHSA-N", "SMILES:CC(C)(O)COc1ccc(C(F)(F)F)cc1C#Cc1cc(C(C)(C)C)nn1C[C@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLHIYWCOSLJCFI-CSNYQSHPSA-N", "SMILES:CC(C)(O)COc1ccc(C(F)(F)F)cc1/C=C/c1cc(C(C)(C)C)nn1C[C@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFUEQMURIEBHF-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2ccc3ccc(-c4ccncc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINFODDUVCQIPH-UHFFFAOYSA-N", "SMILES:O=S(=O)(C1CCCCC1)n1ccc2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUKTXBSOHWSIBA-UHFFFAOYSA-N", "SMILES:O=S(=O)(N1CCCCC1)n1ccc2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODNOWAVHBZXLQ-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)n1ccc2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVQEMHPRLVSDO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1ccc2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNQQPQPZVNHOKR-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c1ccn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVXCXPLARYCAT-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c1ccn2S(=O)(=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFKVZLSIZNPJHB-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c1ccn2S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBVZSRMKJHEFK-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)n1ccc2c(N(C)C)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORSBCUQLGALFD-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c1ccn2S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCMPXVKCXZXQIE-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQVVQGQXCWEFSZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2ccc(-c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXJUXONXAPRRKN-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMDXHRREAHNPMR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2ccc(N3CCCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VERAWADEXWDCIW-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2ccc(N3CCN(CC(F)(F)F)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCNXXIJDRSOXKB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3ccn(S(=O)(=O)c4ccccc4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZRPBEZGINGVMX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3ccn(S(=O)(=O)c4ccccc4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCSPENKCPLFSJB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2cc(-c3ccncc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBOJNGEFNPSGQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2cc(-c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFGXPKEEJPITD-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXJLLZVNUEGNM-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2cc(N3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAAYKLSYXIERPO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2cc(N3CCN(CC(F)(F)F)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOFDBTKBLWDXKL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTAAPCWBXHPGM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSOFAILQSNLMG-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(-c3ccncc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHQKGFZBIHKFRQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(-c3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUDADXPJBGTDRR-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c1ccn2S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNDUJNXEQBINJQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCCCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIORBGLECYEESN-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CC(F)(F)F)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGQYTHHSUIARPQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJISURBWZYFXNY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDDKSNPOICMLLU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1cc(-c2ccncc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXNNNXVKQSHAC-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1cc(-c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQXXWUPRYVYDY-UHFFFAOYSA-N", "SMILES:CN(C)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBKXBQCVLUTNSH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1cc(N2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARLBWTPVDTVWBR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1cc(N2CCN(CC(F)(F)F)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFUTXRPRBZCEJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFBGOEWONWATMZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1501353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGWFKSQVPRITG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFJZWPQCOUYAQU-UHFFFAOYSA-N", "SMILES:COc1cccc2c1ccn2S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLPSEIGBVKEAN-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDWLCYCWLIKWBV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4746198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMUXBJYUNVBUAQ-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccccc3)cc2)[C@H]1NC(C)=O"]}
{"name": "Neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL1667685"], "id": "UniProtKB:Q2LFS1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:365124"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESGIMNCFPBWQY-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccccc3C)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQLCULWPRYHOY-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3cccc(C)c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZBBHRCILBNKL-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccc(C)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIPEQXLMDETCG-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3cccc(OC)c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDYSDBJMMDKCGG-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccc(OC)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNQZKTVKRTABM-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccccc3F)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCNUBSQHZAYCX-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3cccc(F)c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMZMHCVYHDYKSZ-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccc(F)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSHMGZJBILGPQP-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3cccc(C#N)c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRCSLMAAJYAXMT-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccc(C#N)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYDMIARLESDHPF-OJDZSJEKSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBAAQIMSUJFYTB-KJYTXNCISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccccc3OC)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXPDUZFENDVFQ-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccc(SC)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRGQVAYNDWOUPI-OJDZSJEKSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3cccc(B4OC(C)(C)C(C)(C)O4)c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTBVQHJKKBNPD-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3cccs3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRJMMPMXPGFADE-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(OCc3ccco3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXIAYYNBTZRRS-WIWHYGFKSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(O[C@H](C)c3ccccc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKLXBWITUQZLSN-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(SCc3ccccc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFPOJGBMQSVSS-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(SCc3ccc(OC)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJBVPKBCIGDMA-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(SCc3ccc(F)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZGFYDGPYHJMHD-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(NCc3ccccc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCXDVUCNYQZEC-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(NCc3ccc(F)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRBGWACMVKLZKV-JRPIISRDSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(/C=C/c3ccccc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPFPPUOOCZRTQA-WYMJOSIYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Oc3ccccc3C)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMNZXNCLBMPOCA-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Oc3cccc(C)c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHDVUJYHLUBHRH-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Oc3ccc(C)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYNLZKYBLYMAFA-HUROMRQRSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Oc3ccccc3OC)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APOJDKAWTMOBOC-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Oc3cccc(OC)c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSGLAFGGPDFEMS-SKBVVQJISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Oc3ccccc3F)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPVTDKEOXLMAT-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Oc3cccc(F)c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSBIKNBEOLAZRX-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Oc3ccc(F)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFWKDRXEQYTITM-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(OCCCN3CCCC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHLWYGIFMGBFJC-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(OCCCN3CCCCC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIKFOGWUBVERKK-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(OCCCN3CCOCC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFBAPCSEILWOE-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(OCCCN3CCN(C)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWHGTAMKFKDJFO-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(OCCN3CCCC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMFIFWVIPOQTQP-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(OCCCCN3CCCC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTKNYOZVSRJIL-UHFFFAOYSA-N", "SMILES:CCc1c(OC)c(=O)ccn1-c1ccc(OCCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYEXRCGCMJTGKR-UHFFFAOYSA-N", "SMILES:COc1cn(-c2ccc(OCCCN3CCCC3)cc2)c(C)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJIBPHAILGCWNT-UHFFFAOYSA-N", "SMILES:COc1cn(-c2ccc(OCCCN3CCCC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGZMVAPWRZWDN-UHFFFAOYSA-N", "SMILES:CCOc1c(C)n(-c2ccc(OCCCN3CCCC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSEPVAQTFFYXHG-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(OC3CCN(C(C)C)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKINMQJNZYPRIC-UHFFFAOYSA-N", "SMILES:COc1cn(-c2ccc(OC3CCN(C(C)C)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRQZRXKYFJPOM-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJZTPKDMIGHQU-UHFFFAOYSA-N", "SMILES:COc1cn(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUWSNKHMQWHDGJ-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZAWVRAIDMVXDB-UHFFFAOYSA-N", "SMILES:COc1cn(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDUYBHYJZHGNET-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSZQGOOKSOQIM-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(C(=O)N3CCN(C4CCC4)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXUKUNMYXITQCC-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIWIRHXMAVHNJ-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(S(=O)(=O)N3CCN(C(C)C)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVGTMMYDHCXSR-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(S(=O)(=O)N3CCN(C4CCC4)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJLKAOUCFHQSE-UHFFFAOYSA-N", "SMILES:COc1c(C)n(-c2ccc(S(=O)(=O)N3CCN(C4CCCC4)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1926943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPRUEOKTJVOSP-YTFOTSKYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHBXLDPSFQUFIK-ZENYQMPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RECIIZJBWWSHAN-ZENYQMPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(Cl)cc1)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHCMFIJQXFBTOW-ZENYQMPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(F)cc1)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTXHGSUPOJTVAS-NXQKYAITSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(C(C)(C)C)cc1)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPXGBAHYBOPOHV-ZENYQMPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQZNHVSMGTUETL-IAVJCBSLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccncc1)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLLRMLCICQCTCP-LPBINRMYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEBMDPFJJUKFIW-UHBFJLORSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](N)c1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMHIMGIYZPOJRV-AJNGGQMLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C1(NC(=O)[C@@H](N)C(C)C)CCCC1)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPCOGALCLNEGPQ-JBJRXJHCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWTNBDSNHVXMRL-HFTLVWAASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CC2CCCCC2N1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUUWEUYSFMBJBJ-YYFQZIEXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGXBWLMADIBDH-ZZTPGCILSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@H](C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGGNBMJYIOUHI-TUUVXOQKSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C1CCCC1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTLSLXRZUSXRD-QXKUPLGCSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)N(C)C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHVKFHBXDFKTGU-VGWMRTNUSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)O)N(C)C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZGIKRXRCBYPC-AJNGGQMLSA-N", "SMILES:CCC[C@@H](C(=O)N[C@@H](C)C(=O)O)N(C)C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJWQZVBFQYGTR-OSZUESSQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIVZQIYWGJDBJ-PTTAZLHSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQKIRMPWNRIQK-OSZUESSQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUFAWWPEHQTRGO-GMHRPJKWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEXHSOJTDOHEF-XOIOROFOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CC2CCCCC2N1C(=O)[C@@H]1CC2CCCCC2N1)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVSMNXIQBQMPGJ-LAEOZQHASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEMQRQCEDOOCC-VLJOUNFMSA-N", "SMILES:CC[C@H](NC(=O)[C@@H](N)CC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYBOCIUJNEMLQ-BTFPBAQTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C(C)(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJHLSDUGHYDPLH-VRIGVRMUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFYAHPITJJJHAA-ZENYQMPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(C(F)(F)F)cc1)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBVFGRGSERWKEU-IUCIOQMXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(C)C)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNKPCQLAWEZRE-JZLODUJNSA-N", "SMILES:C/C=C/C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCOc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVJSXSQRIUSRCO-UHFFFAOYSA-N", "SMILES:CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDQLGHBBQDDJO-SBENCIRRSA-N", "SMILES:C/C=C/C(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NCCOCCOc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUWSCVBALVIPNH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1cnc2c(N3CCNCC3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZBVOVVPMVDQY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)n1cnc2c(N3CCNCC3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWDQCXADBCXRJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(F)c1)n1cnc2c(N3CCNCC3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCFNZPRLOAXAZ-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2cnc3c(N4CCNCC4)nccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GATDTMAYFGZGAV-UHFFFAOYSA-N", "SMILES:CCc1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDZDQRAGSHUBW-UHFFFAOYSA-N", "SMILES:CCc1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZIZMMVPGGRYKX-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWMKBPOOVMOXIR-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRKBRUCDHXJNF-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLZCDUPNJWTMKB-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c(C(C)C)nc3c(N4CCNCC4)nccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXLBGUBAFSNJX-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1c(-c2ccccc2)nc2c(N3CCNCC3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHVGQSBTPJECOW-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)n1c(-c2ccccc2)nc2c(N3CCNCC3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAOLTGECIZCQC-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(F)c1)n1c(-c2ccccc2)nc2c(N3CCNCC3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNEIJVYMDOYZCZ-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c(-c3ccccc3)nc3c(N4CCNCC4)nccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKMMADIWBSJCSQ-FTBISJDPSA-N", "SMILES:CCCCCCCCCCn1cc(-c2noc([C@@H]3CCCN3C(=N)N)n2)c2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POIXYFGPMIAWKA-JIDHJSLPSA-N", "SMILES:CCCCCCCCCCCCn1cc(-c2noc([C@@H]3CCCN3C(=N)N)n2)c2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOKVKOGTMPSITM-BOXHHOBZSA-N", "SMILES:CCCCCCCCCn1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKOYVXHTMTUCQE-FTBISJDPSA-N", "SMILES:CCCCCCCCCCn1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQWRMGCIBIDVPX-FERBBOLQSA-N", "SMILES:CCCCOc1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGKWEAMVXLGQKS-BOXHHOBZSA-N", "SMILES:Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCUTVNPWXWDEPM-UHFFFAOYSA-N", "SMILES:CCCN(CCCCc1cn(CCOCCOCCOCCn2cc(CCCCN(CCC)C3Cc4ccccc4C3)nn2)nn1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOJFIJKCXJMOJO-UHFFFAOYSA-N", "SMILES:CCCN(CCCCc1cn(CCOCCOCCOCCOCCn2cc(CCCCN(CCC)C3Cc4ccccc4C3)nn2)nn1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDGQEFCZTTZBO-UHFFFAOYSA-N", "SMILES:CCCN(CCCCc1cn(CCOCCOCCOCCOCCOCCn2cc(CCCCN(CCC)C3Cc4ccccc4C3)nn2)nn1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXPQJBVBDKOKM-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccc(OCc3cn(CCOCCOCCOCCn4cc(COc5ccc(-c6ccc(C(=O)NCCCCN(CCC)C7Cc8ccccc8C7)cc6)cc5)nn4)nn3)cc2)cc1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJZTAUHHVXOSQ-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccc(OCc3cn(CCOCCOCCOCCOCCn4cc(COc5ccc(-c6ccc(C(=O)NCCCCN(CCC)C7Cc8ccccc8C7)cc6)cc5)nn4)nn3)cc2)cc1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBMGXWHOLLSJU-UHFFFAOYSA-N", "SMILES:CCCN(CCCCNC(=O)c1ccc(-c2ccc(OCc3cn(CCOCCOCCOCCOCCOCCn4cc(COc5ccc(-c6ccc(C(=O)NCCCCN(CCC)C7Cc8ccccc8C7)cc6)cc5)nn4)nn3)cc2)cc1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSXKYXGUAMNCD-UHFFFAOYSA-N", "SMILES:C#CCCCCN(CCC)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEGAAWNOHVANEU-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2ccc(C(=O)NCCCCN(CCC)C3Cc4ccccc4C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKHSURXAKVJHHV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTWFKTBGRXTKGS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYKNFKLDEYWTTI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRPHCGDUUIKCQP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WATIOPHMVCWMDU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKOJIFQSVZCTA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQXDJARBSWYYTB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOUZMHZPQENDL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCNCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGTGIKXPFPUHAE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCCCNCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCFOXIBVDCOLC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCCCCCNCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFWZDQCYCBFHOB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCNCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOLZSXPEPPATOF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCOCCNCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIOVQOVBTZMJAW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCOCCOCCNCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDSPYQXQMXKQZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCNCCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCNJMGWMJCZUNY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCCCNCCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOMBJIHJBAGEMJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCNCCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEASCOZANGQFF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCOCCNCCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZNCQBWQOMJMN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCPQCHDYVMUQOG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBODRFWJLBNQFY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLCYPGBPCICKH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVFWDNAZUDPBW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSAJEOKOQMBEGM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCOCCOCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLEWZRULHYEKFQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSQXAXQWFHUOM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)NCCCCCCCCNCCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQUFKBWTVXQNG-LJQANCHMSA-N", "SMILES:CN1Cc2ccccc2CN2CC[C@]1(c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZSQFOVPHMNZFV-FQEVSTJZSA-N", "SMILES:CCN1Cc2ccccc2CN2CC[C@@]1(c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZIZQMMQVKSFMN-UHFFFAOYSA-N", "SMILES:CCCN1Cc2ccccc2CN2CCC1(c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMYHCCAULCDTG-IBGZPJMESA-N", "SMILES:CN1Cc2ccc(O)cc2CN2CC[C@@]1(c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQUFKBWTVXQNG-IBGZPJMESA-N", "SMILES:CN1Cc2ccccc2CN2CC[C@@]1(c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYJMQONPNNFPI-ZFTIYMCPSA-N", "SMILES:[2H]C([2H])=CC(=O)Nc1cc(Nc2nccc(-c3cn(C([2H])([2H])[2H])c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZHOAFIHCFUPIH-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGAXSERTYGHMHQ-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPQZBCMXXSHMV-UHFFFAOYSA-N", "SMILES:C=C(Br)C(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYJMQONPNNFPI-DICFDUPASA-N", "SMILES:[2H]C([2H])=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUGYYJFYKGMGC-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRNPMFHPKYVGP-UHFFFAOYSA-N", "SMILES:C=C(C(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKSNUHSJBTCFJ-FYWAFROVSA-N", "SMILES:CS(=O)(=O)O.[2H]C([2H])=CC(=O)Nc1cc(Nc2nccc(-c3cn(C([2H])([2H])[2H])c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQIZUHVFBJELDY-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4C)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDBROJUKNHFDJJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(C)c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEGYWRCCHZMHKP-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccc(C)cc4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSCPOMVTCRMSK-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4OC)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJRRQKDCBNVUAT-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Nc2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSLBZIUNRHNSSO-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTKYCLGETZVRSH-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4F)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWMRLUFQABESQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(F)c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXYATZOVPNGPU-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXKREMVZXNVXQY-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOLQSXALWHSWGO-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccc(Br)cc4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVMRBZMYVRDDQU-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4I)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDGQOBPYNJAGSP-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(I)c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVNZPCHLHXUHOZ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccc(I)cc4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIXHDRHIUUMFKZ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLQDROWZUYAEZ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNIFBCWLDWZSU-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPOQKVHSDLZFR-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKGPBSHZZQRHV-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(NC(=O)c4cc(F)ccc4Br)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNDYIYYKEIXHNK-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4790424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACDHHMEVMSODJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKSRTQYIOCWIA-UHFFFAOYSA-N", "SMILES:CN(CCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDGVPUHITRVBDM-UHFFFAOYSA-N", "SMILES:CN(CCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTOBFMQKFPBJBY-UHFFFAOYSA-N", "SMILES:CN(CCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOUJSJQEPRZURP-UHFFFAOYSA-N", "SMILES:CN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXIYUFLOMOXXRD-UHFFFAOYSA-N", "SMILES:CN(CCCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIUCJQGBNNPNAK-UHFFFAOYSA-N", "SMILES:CN(CCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLYKFMRGKTUAFX-UHFFFAOYSA-N", "SMILES:CN(CCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNJJURBAYZCGRE-UHFFFAOYSA-N", "SMILES:CN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJRGKREKUXGIL-UHFFFAOYSA-N", "SMILES:CN(CCCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYGDXKIIQHHLB-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)CCCCCCOc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCLKDRXUGQWORC-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLEHPSKRQDHDON-UHFFFAOYSA-N", "SMILES:CCNC(=O)Oc1ccc(CN(C)CCCCCCOc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWYHZCHSDUDVFL-UHFFFAOYSA-N", "SMILES:CN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(OC(=O)NCCCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPSNUHJXMLBGD-UHFFFAOYSA-N", "SMILES:CN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(OC(=O)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAITRUNDPAKAH-UHFFFAOYSA-N", "SMILES:CCNC(=O)Oc1ccc(CN(CC)CCCCCCOc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYXZIRLTUWVAHS-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(OC(=O)NCCCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVQPMMNOMPNOOG-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(OC(=O)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAWWFVPBWVUCD-UHFFFAOYSA-N", "SMILES:CN(CCCCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBDPWVAGGIVLE-UHFFFAOYSA-N", "SMILES:CN(CCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHCPAGFZZDPSMR-UHFFFAOYSA-N", "SMILES:CN(CCCCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTQMHOPSAEKFO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)C#Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFLWBZPSJQPRDD-ONEGZZNKSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1221767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBHNWMURVCPKH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc(-c4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYJMYDMKPSZMSB-AATRIKPKSA-N", "SMILES:COc1ccc(/C=C/[N+](=O)[O-])cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL309016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVXCSPJSXIUNQJ-SNAWJCMRSA-N", "SMILES:COc1cc(/C=C/[N+](=O)[O-])ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4763517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVNMEHTSLGKMY-AATRIKPKSA-N", "SMILES:COc1cc(/C=C/[N+](=O)[O-])ccc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEOGCGKYAARMFU-VOTSOKGWSA-N", "SMILES:CCC(=O)Oc1ccc(/C=C/[N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXVHJOLIVSNPD-MDZDMXLPSA-N", "SMILES:COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4791813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXBXAXEKNYDHU-HWKANZROSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBACRWAXVCTNR-OWOJBTEDSA-N", "SMILES:O=[N+]([O-])/C=C/c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTZYVOYCRNJOM-ONEGZZNKSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAVSQZRQGSMPPT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ncnc2c1c(-c1ccccc1)nn2C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXXRZCRYCHDQRR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C(=O)C=C)c1ncnc2c1c(-c1ccccc1)nn2C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCQTELDEIJZRQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)CCl)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQQNNFDJRBPDSP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ncnc2c1c(-c1ccc3ccccc3c1)nn2C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJJSEKFTDIZAD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C(=O)C=C)c1ncnc2c1c(-c1ccc3ccccc3c1)nn2C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGAXULQEFFGNZ-UHFFFAOYSA-N", "SMILES:CN(C(=O)CCl)c1ncnc2c1c(-c1ccc3ccccc3c1)nn2C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXVVUQPZDXGGJY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ncnc2c1c(-c1ccc(-c3ccccc3)cc1)nn2C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUIOHWCWIKJOSI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C(=O)C=C)c1ncnc2c1c(-c1ccc(-c3ccccc3)cc1)nn2C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUXTPWYZXWOIB-LWWHHIEBSA-N", "SMILES:CC1(C)C(N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1"]}
{"name": "Vesicle-fusing ATPase", "xref": ["CHEMBL.TARGET:CHEMBL4739845"], "id": "UniProtKB:P18708", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZWNHKPYAUARRF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NCCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJITUAXHAOUEQZ-UHFFFAOYSA-N", "SMILES:O=C(CCNc1ccc([N+](=O)[O-])c2nonc12)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUGMWJGUUATTKE-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc([N+](=O)[O-])c2nonc12)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKORLDZIRFKDI-ORYQWCPZSA-N", "SMILES:CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPSQGKCYKMKSJ-VOQZNFBZSA-N", "SMILES:COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCXNIGURPRICY-SFHVURJKSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBYSAKYNRBPRQ-YMXDCFFPSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc(F)cc1NC(=O)CC(CCC(=O)O)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWVLVFAUPECRR-BWDMCYIDSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc(F)cc1NC(=O)CC(CCC(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQZYTUCYRZMSG-QHELBMECSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc(F)cc1NC(=O)CC(CC(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYZJXNDOQPHHKZ-KRWDZBQOSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc(F)cc1NC(=O)CCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYDTTQJNDZJFU-FQEVSTJZSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc(F)cc1NC(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEONFTCEOGIOSO-JIFYIFHXSA-N", "SMILES:Cc1c(NC(=O)CC(CCC(=O)O)c2ccccc2)cc(Cl)cc1O[C@H]1CCN(C(=O)C2CCCC2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWXXXIQTJWEGQR-UIEAFCHPSA-N", "SMILES:C[C@H]1C[C@@H](Oc2cc(Cl)cc(NC(=O)CC(CCC(=O)O)c3ccccc3)c2Cl)CCN1C(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBAIRQRQTUHRD-AJZOCDQUSA-N", "SMILES:C[C@H]1CN(Cc2cc(Cl)cc(NC(=O)CC(CCC(=O)O)c3ccccc3)c2Cl)CCN1C(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTOQEJGBDCDUSU-UHFFFAOYSA-N", "SMILES:COc1cccc(SCc2cn(CC(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBDLOPOEYLRKK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCc1cn(CCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYNJVRUBTKSLBX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCc1cn(CCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATEKSUDRIVWTTK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCc1cn(CCCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUPJQTWIYRCOHX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCc1cn(CCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYYMSVYTUYTODA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCc1cn(CCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFSNVFCNLQLQLX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCc1cn(CCCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUOFCZPJKYPFBV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCc1cn(CCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCJZPBISMXQDN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCc1cn(CCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSAKQDBVDKDWIF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCc1cn(CCCCC(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUDTZAASVCWAT-QDLOVBKTSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUCXXCMBFZYRT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPNRRKNILGEJNW-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(-c2snc3cc(-c4ccc(N)c(OC)c4)cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZLSFXBSGWJTMV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(-c4cccc(NC(=O)C(C)C)c4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USWHRHQETHBPEE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(-c4cccc(NC(=O)C5CC5)c4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLBURIWIWBOMG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(-c4cccc(NC(=O)C5CCCC5)c4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUIKKILUHSIRW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(-c4cccc(NC(=O)N5CCCC5)c4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKXNLSIYBRUEL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(-c4cccc(NC(=O)N5CCOCC5)c4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGUWTZDFCOXAZ-UHFFFAOYSA-N", "SMILES:CCC(=O)NC1CCCN(c2snc3cc(-c4ccc(N)c(OC)c4)cnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANVVEBLJHPWZRH-UHFFFAOYSA-N", "SMILES:CCC(=O)NCC1CCCN(c2snc3cc(-c4ccc(N)c(OC)c4)cnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNSYLWUGJRUTJ-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCC1CCCN(c2snc3cc(-c4ccc(N)c(OC)c4)cnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOKMCZDUFHZDBC-UHFFFAOYSA-N", "SMILES:CCC(=O)NCC1CCN(c2snc3cc(-c4ccc(N)c(OC)c4)cnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVPZTYCOWBASZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCCC(CNC(=O)CC(C)C)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPJQLHQSKPTDA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCCC(CNC(=O)C5CC5)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULPGCTDHFKWGTK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCCC(CNC(=O)C5CCCC5)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHSWFUBEGZDAV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCCC(CNC(=O)c5ccccc5)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIMUSSHFQCWCLL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCCC(CNC(=O)N5CCCC5)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFMDPMYOPDYRFW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCCC(CNC(=O)N5CCOCC5)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWMUYVHIAVVTLD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCCC(CNS(=O)(=O)C5CC5)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLCRSHRWKXUPKU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCCC(CNC(=O)NC5CC5)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPJQLHQSKPTDA-AWEZNQCLSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCC[C@@H](CNC(=O)C5CC5)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPJQLHQSKPTDA-CQSZACIVSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCC[C@H](CNC(=O)C5CC5)C4)snc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVZWKNLMUQZMQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2snc3cc(-c4ccc(N)c(OC)c4)cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWGTFCQVSARAF-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC1CCCN(c2snc3cc(-c4ccc(N)c(OC)c4)cnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQZACBXIRAUOU-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC1CCN(c2snc3c(-c4ccc(OC)c(N)c4)ccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCYKOLYBQFYDCE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2snc3cc(-c4ccc(N)c(OC)c4)cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOBDWVOCCISOTJ-SEIRJHJZSA-N", "SMILES:COc1ccccc1-c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPDCXRYGMHLPCF-FNAHDJPLSA-N", "SMILES:COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNODLHVAUNEFAU-FNAHDJPLSA-N", "SMILES:COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)Nc3ccccc3)n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4747194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABBGHJJBHAIDHI-MYDTUXCISA-N", "SMILES:COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)Nc3cccc(C#N)c3)n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4758751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUOPPCKNIULIM-CJRSTVEYSA-N", "SMILES:COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSZIRCGJPGHCT-CJRSTVEYSA-N", "SMILES:COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)Nc3cc(OC)cc(OC)c3)n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4781499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVMNGUSVYVEEH-UWHLTILDSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNRWPDBAJGPTH-MYDTUXCISA-N", "SMILES:CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJJWNGZBOYCEV-JFJDKTSWSA-N", "SMILES:COc1ccccc1-c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)Nc2cccc(C#N)c2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4779572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIBQQLHNLQPZBJ-FNAHDJPLSA-N", "SMILES:N#Cc1cccc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWAIQBCJCBVWJS-RNIPGJKVSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFWHTIMGUERSY-CWLKWCNXSA-N", "SMILES:CC(C)(C)c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRXAZGMQUUWQT-VNTMZGSJSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(C2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUMLWONJPQIET-RNIPGJKVSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFDVTNUPRALPHQ-RNIPGJKVSA-N", "SMILES:O=C(Nc1ccccc1)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2cccs2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4755365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVQMOVTHLSQJD-WNRNVDISSA-N", "SMILES:CCNC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2ccc(OC)cc2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVHESJDLJKFQW-ZHNGQKSSSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2ccc3c(c2)OCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLLMQALKJJKFBG-CJRSTVEYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)Nc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVSUOXOHGLBNDU-BSDSXHPESA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=S)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEPZIHXHWOTWNB-DXBBTUNJSA-N", "SMILES:O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=S)Nc1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4761851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNEOMQHMTTZCGK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3OCCCC(=O)O)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARPOPTBHSCEKRP-UHFFFAOYSA-N", "SMILES:O=C(O)CCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVJIZUPAQKKKD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(C(N)=O)N2CCC2c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPAFFIKAUYDIG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N2CCCC2c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OECRRFQZOUXUPL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N2CCCC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDWOBNOEJNFCL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CCCN2C(=O)c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGGQYJPFNJAXLQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N2CCCC2c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWQVOCGUFUWPDN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N2CCCC2c2ccc3c(c2)OCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPPBIPYUGJCEQA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N2CCCC2c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGLGCIXKNFHFJZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C(=O)N2CCCC2c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGCDCLRIGGOAO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(N2CNC=N2)cc1)N1CCCC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GANZESJYJAYISW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTMJZHDLXWKYAF-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSUEUGZTSVRQL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYAGGMZTARRIDX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPZDEPRCOUWPRE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCKOJXZNTVQLM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615281", "category": ["biolink:ChemicalEntity"], "name": "SLC-0111", "xref": ["InChIKey:YJQZNWPYLCNRLP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1"], "synonym": ["4-{[(4'-fluorophenyl)carbamoyl]amino}benzenesulfonamide", "Slc-0111", "NSC-213841", "SLC0111", "U-104", "U104"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFOFIOEVFIDQG-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJFVAFAAXHGTG-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHYMGFQECXGQIJ-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJVTMVDVOILKL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGFDAILTPISDF-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFQBIOPMODGFH-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRVMFCKFEZZGMJ-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMMUCJEOWHHJD-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDWUUCIIKUEJN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCC(=O)OCCCCCCSc2ccc([N+](=O)[O-])c3nonc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCEDYFMRNYLPEZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CCC(=O)OCCCCCCSc2ccc([N+](=O)[O-])c3nonc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZPUQDCREFCVGI-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWQZDMSJLRTWHH-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CCC(=O)OCCCCCCSc2ccc([N+](=O)[O-])c3nonc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACNFLDARSDPAA-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBOFBNLZWGMLHR-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUKUWVMNGPQGBP-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVMLZWLVFBHDRP-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWMSARWWPQWQCK-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHFXVAGMNQCFF-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)NCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOYHTTUBRLXQE-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)N1CCOCC1)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXADMALXKZLQF-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)N1CCCCC1)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLXKRLFXSDPIT-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXYYAZGELLKDA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(SCCCCCCO)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDGCOVAJNOCKD-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CN2CCc3c(Br)cc(-c4c(C)nnn4C)c(Cl)c3C2=O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTWNMWVWWROGZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(cnn2C(=O)c2ccccc2)c1)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407196", "category": ["biolink:ChemicalEntity"], "name": "NEUROTENSIN", "xref": ["InChIKey:PCJGZPGTCUMMOT-ISULXFBGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4799695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJDKIRQGXSOPEQ-JYDDPDNISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKSVHQYWOXLDQ-KCODUONZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKIPFYNBXVVHA-WWBLIYEFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGSQSJIDCGRMBG-JYDDPDNISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFFVPRDWLCNQO-KNQVYGPCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTLPIQWBPFSTMH-KCODUONZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUYSLOWBYZAOJ-NLVDHLGFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPFLAPHXPOHAF-NLVDHLGFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRVYKXHXXRDKN-NLVDHLGFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDNHSICEMKTUAB-NLVDHLGFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAQZXZDZZXERSD-VXZVMABXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJQNSVYCDXMQTF-ISULXFBGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIUIYUKUJOLLM-WWBLIYEFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOTYWHDGBILLD-KCODUONZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUZQOHRBDCGHS-LHOYKQQOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSLONNNXGGUFO-KEOOTSPTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIEVKRWAKSOSSP-AAXNZNEWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C/C=C\\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWLOXFXBNUSZKM-QFIJLSENSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)[C@@H]1C/C=C\\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZRWYMTBVAZIN-ICWQKXATSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C/C=C\\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQLAHWTZZODDG-VAZRWDGVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C/C=C\\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIEVKRWAKSOSSP-AZRMJBIHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C/C=C\\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIEVKRWAKSOSSP-FQNIVUSTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C/C=C\\C[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIEVKRWAKSOSSP-KPXSHXKBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C/C=C\\C[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJSFXPUYHOBFS-AQRCPPRCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XODBPCRRCHODIN-QCOJBMJGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOPJQKBRDOXGW-VRBLGLBQSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEJURVSRNTZMBH-JNRWAQIZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYGZBMJSCYZBF-JNRWAQIZSA-N", "SMILES:CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIHNVBFOGLATFW-VEIVPZTASA-N", "SMILES:CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC(C)(C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKEQJEIRRSCJNT-VDXNIVNJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMYFIZDBQFMRX-HKEQXEGOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTVAGLBMDPWQGE-MPNCUWFXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNLPYWUFMLUBP-OQIHEVBYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)C/C=C/CNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZXGMBAENMNLMC-NQBYMUSQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)C/C=C/CCCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZERHMVNHOAJQDO-BSFYRCLISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)C/C=C/CNCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYNINNUFDZTED-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHZWSSISNVUCZ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)nc(Nc2ccc(OC(C)C)cc2)n(Cc2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3921233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNEKFDBSKZECEH-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGKLNMQRWYVRO-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)nc(Nc2cccc(C(F)(F)F)c2)n(Cc2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDKRZHKBWBJIRH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIGZERSAIQXHMB-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3978482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEEKIVKPSARQCC-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRNDXKXJUGXSQA-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCLUEIBJVFEID-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFSZOFAKVQXYIY-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)nc(Nc2ccc(Oc3ccccc3)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXFXTPGZJWVCPW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2-c2ccc(Cl)s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJVAAPSNYAVHDF-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)[nH]c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOLLFDANAKBTB-UHFFFAOYSA-N", "SMILES:CCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPYJUMSFDCRFTJ-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXFJQFRHPYGEW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(Cc3ccccc3)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZBDZQJVOICIK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUAVUCGFIWKKLX-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVHQOORWPGESA-UHFFFAOYSA-N", "SMILES:CC(=O)n1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKUBPFCGXISTNR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTRDLDWXSPKCF-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIVQLHRBUYZELM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3967291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKNEIAWFTVSEB-UHFFFAOYSA-N", "SMILES:CC(=O)NCCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFZZAWGUWRJMDO-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3965257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIWLWCQSVFBEL-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CC(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCTZNTUJEJXMFG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCC(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGQUPCLZCUZSW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCCC(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFMZHJMYPBKRN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCC(N)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSOCLWAPUYZQU-UHFFFAOYSA-N", "SMILES:CNC(=O)CCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEMXKDNCOMOECJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(/N=c2\\[nH]c(=O)n(CC(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3974083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTHMPYWKRCESAL-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCC(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPNBQEPLOMTGNM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2cc(=O)n(CCC(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXKACXOKYWDCW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)c(CC(=O)O)cn2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLUUSYEHIJZTG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2ncc(CC(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTYJMCHKIWUNQN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(CC(=O)O)nc(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3985699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYYASMSWISXDA-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CC(C)(C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRHNDEFYSFIWAD-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(Nc3ccc(OC(C)C)c(Cl)c3)nc(=O)n(CCC(=O)O)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYROHWFGZADBR-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLCXWPPDJFECQI-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)nc(Nc2cccc(C(F)(F)F)c2)n(Cc2ccc(OC)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHOKIHPIVMAMIF-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBYQJGBQDEORP-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLPNTDXCNSFIO-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGTWJPUWPPRIC-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJJJJFSRCOMZBA-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSUDEWXYBSTMRS-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHOCLJYKJFQVQC-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2cccc(Cl)c2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEYSMFYHXZIRNM-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccccc2Cl)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQBDFJMVGYKEDH-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRYSVUWRJOIGG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGOAHIPAQKENGF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYKABKFHKROZEC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2cccc(Cl)c2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBZSZSSSBJJSY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccccc2Cl)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPOBGGUXMKIZIQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBRXCXNKEJKAEM-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQCQWHVHMJNYAB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBLYNLMJYBTEV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVNYCXPTDQFIH-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVCSTUKSTXKMJ-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDUQYQNMFPAOBR-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQULXHVPSNRBSA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZEUTWRRPLTJON-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDWVWLZFJVYPNF-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIYKOOHMMSWWQA-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVUYIWOASFBAEP-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMGMDZXJLFQPT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2cc(C(=O)C3CCC3)nn2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCICGVFLZUPXRH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2cc(C(=O)CC3CCC3)nn2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBVAPKFIKKREU-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDUMWNZKGSRRT-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDCBKKNZTTYDD-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHGBVILBPTWMR-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHSCFCKJWHGJY-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(C(F)(F)F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSGYEDQTOLUMM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CC4CC4C3)nn2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOGAIBDVXSUQRX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCCC3)nn2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKMPZJPIHUBZRH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CC(F)(F)C3)nn2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZZFVKQHRKVFHU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCC(F)(F)C3)nn2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESMKNRKLCRCJU-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVJJSDYPFZXQGJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMHIPVYTLVRDAB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJUSPADQYSCMML-KQWNVCNZSA-N", "SMILES:Cc1ccc(C2=N/C(=C\\c3ccc(Cl)cc3)C(=O)NN2C(=O)c2nc3c(c(C)nn3-c3ccccc3)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQBUHXFDAFUDSU-HAVVHWLPSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(CC(=O)N3NC(=O)/C(=C\\c4ccccc4)N=C3c3ccccc3)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWJWKDCHCZKMV-LFVJCYFKSA-N", "SMILES:Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)NN2C(=O)Cc2nc3c(c(C)nn3-c3ccccc3)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKMDRBWPANQRX-LFVJCYFKSA-N", "SMILES:COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(C(=O)Cc3nc4c(c(C)nn4-c4ccccc4)c(=O)[nH]3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRTNNZMMYLOKTL-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cc1ccc(COc2ccccc2CC2CCN(Cc3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCZSDCXMGDCEB-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cc1cccc(COc2ccccc2CC2CCN(Cc3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2354929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZFYZYBWLCYBMI-MYZJJQSMSA-N", "SMILES:CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LASJSIMHDHTROE-LBPRGKRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLHVEYTOKCOGJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1coc(Cn2ccc(NC(=O)c3ncoc3-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVLUVTWYQOVAPB-IRXDYDNUSA-N", "SMILES:COc1ccc([C@@H]2COC[C@@H]2NC(=O)Nc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXSBXWIXXRPQP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)nc1)C1C(C(=O)NC2CCNCC2)C2CCC1C21CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCTDHNPSJYVWOH-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)Nc1ccc(Br)cc1)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBPIIEKLPQMRBU-INIZCTEOSA-N", "SMILES:CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTZPVHGJFVWRS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(C(=O)Nc1cccnc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDLJYGPMDCDJIR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(C(=O)Nc1cccnc1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOOJIVGNHWWVKV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(CC1CCCCC1)C(=O)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRJMKPGPXKYTFK-INIZCTEOSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)N[C@@H](CC1CC1)C(=O)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGKCTSUILFVCN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(C(=O)Nc1cccnc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWLBHGFCQQSTM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(C(=O)Nc1cncnc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUVRPRUYHKMBCC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(C(=O)NC1CNC1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYSKNWOMJJLATG-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)C(NC(=O)Nc2ccc(Br)cc2)C2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLXCZFNPDXVPLX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(C(=O)NC1COC1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHAAAJNQIHUDY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(C(=O)NC1CCOCC1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGUPLBUZUNGHY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(C(=O)NCC1CCCO1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVOLBGLDYQURD-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1NC(=O)C(NC(=O)Nc1ccc(Br)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCNPWQOPLYRLL-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(NC(=O)C(NC(=O)Nc2ccc(Br)cc2)C2CCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZATVHNGLSAQSY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC(C(=O)Nc1cccnn1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIENHYXDSDTEGD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1(C(=O)Nc2cccnc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVGXQPGRQZPBKR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1(C(=O)Nc2cncnc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNPNLAVXLTWBN-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1NC(=O)C1(NC(=O)Nc2ccc(Br)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CISIDKUKXJAVOV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1(C(=O)NCc2nn[nH]n2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQICHPRLKMBRT-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)C2(NC(=O)Nc3ccc(Br)cc3)CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHWESDXRIWNIQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(NC(=O)C2(NC(=O)Nc3ccc(Br)cc3)CCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEHNOBXAXWDFQT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1(C(=O)Nc2ccccn2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOWRGHTQQVXQO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(NC(=O)Nc3ccc(Br)cc3)CCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTUPUIPIFLHLR-UHFFFAOYSA-N", "SMILES:Cc1cncc(NC(=O)C2(NC(=O)Nc3ccc(Br)cc3)CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJSDILOFSXBGI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1(C(=O)Nc2ccc(Cl)nc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZOJMFUQVIRUQP-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJFBTOOXZLJLKA-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CC=CCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJFDVFDZKENAT-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJALRWKUIRQDLA-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(OC)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQMFCOBESCDSN-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(F)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQJTRVIMNGXNY-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCCC(F)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLSMIVBQPLWHK-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(CF)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGUJWGVKBUPWCI-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(OCCF)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWUOVFGKOZKOP-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(COCCF)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBOBZKXJWNDHE-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(F)(CO)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVLSLPSPDRUARX-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARLGQILBNHBNH-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)(CCF)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFTYVILBDGWYNT-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C(O)CF)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLSHBFBIJJWDBN-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C(C)(O)CF)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKAMJDQVNRCUNU-UHFFFAOYSA-N", "SMILES:CC1(O)CCN(C(=O)Nc2nc3c(OCCF)ccc(N4CCOCC4)c3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRTHAEMHKZIRDS-UHFFFAOYSA-N", "SMILES:CC(C)(CO)c1ccc(Nc2ccc(C(=O)C(Cl)Cl)cc2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1906448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSKDXALGDBAGSA-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1708376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDTZAWGXZOFIW-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nccs2)c2c1C(=O)CC(C)(C)C2Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYVDXXWQANVCI-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccncn2)c2c1C(=O)CC(C)(C)C2Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUILLWXCIFCAJF-GIJQJNRQSA-N", "SMILES:C#CCCC1(CCNC(=O)c2ccc(NC(=O)Nc3ccc(Nc4nc(/C=C/c5ccccc5)nc(N5CCOCC5)n4)cc3)cc2)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCNJMIDGXLYLCP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCFOMLFCGWFRGJ-XZSQRVCUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHGKXPFUYZLEX-ANUZSTDNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRVYRNKTGBCDA-POVWMBDGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUVBVVMKBVFWJK-NABOUOMDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCLVPSJRSZKQQ-OEQBFNACSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICPPNVWXBOYJQQ-IWNQREEOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFNZELIDPJFKC-HKPRUFMOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCZBKIWAWVSRH-PWOTTZORSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBNFPBGYVCBKJ-GATIQJEBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAHDVABYRLRCL-SRTNMRKJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMFQOLNFGACOTR-UCIVQRNKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVMZBFBJJYGDHC-GRYRZJIESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTTLNMHYIGFRHZ-XJADDZEUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PISSFWBOUOULPD-NHOUYVBISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPGXEBMPBJRHL-YXVSZBTKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLMQJLVPWMXFKW-ODLFWSBDSA-N", "SMILES:CC[C@H](C)[C@H](NC[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGVVCWSRFWQPT-LFEHRRMXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWYRYSDISOIIQ-OIBFMVQASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYYOMGBMOSVOOB-GOCRWVAESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXCGMUATNXNGM-GJISXZTKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMTYEAZBYJHFQ-KUKKOASDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(C)C(=O)NCC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWYGRNWLOHIUCT-YLWSWUGYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBOREXSIHJTIR-YKZWTVEFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C(C)CNC(=O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHOQKESCZCSWCC-DFTABRQWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)NC[C@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQZLHQZQDGMAES-LHWLRNQESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)NC[C@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKZWQKTVJIVOME-BSZXBDANSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)NC[C@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZDDCTJSUHGUJR-XFTHAQBFSA-N", "SMILES:CCCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGTFVUQHMBUSEV-WQQKAAPFSA-N", "SMILES:CCCC[C@H](OC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCCNC(C)=O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWPIPLBFKGEFHO-SZNDWURRSA-N", "SMILES:CCCC[C@H](OC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGHFKCXALYYKFH-GKWXIICLSA-N", "SMILES:CCCC[C@H](OC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCCCNC(C)=O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQJGSYYODPDXOU-FSRXPCKUSA-N", "SMILES:CCCCCCCCCCCCCCCCC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXFKSDPJRGPGY-STBXYDCBSA-N", "SMILES:CCCCCCCCCCCCCCCCC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLZKZHOEQOLOQ-HYZQQMERSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZQOMSLSQBBAJ-MVZNEDITSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPNPMRWVLQDREZ-ZLFUWRGVSA-N", "SMILES:CCCCCCCCCCCCCCCCCCC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBATXWPQVSWUJT-QYZUYSDHSA-N", "SMILES:CCCCCCCCCCCCCCCCC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLRPXOBGHDDAA-RNEXPSHPSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEUNNWBKSKIADW-IOJYLXLSSA-N", "SMILES:CCCCCCCCCCCCCCCCCCC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMVXDMPPXSEKG-SGTFEQMDSA-N", "SMILES:CCCCCCCCCCCCCCCCCCC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJANBUAPJMXTOX-ASSMQQEDSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCCNC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCCNC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)CCCCCCCCCCCCCCCC(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXZVGLVQFXVIH-HZHQGGNBSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCCNC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCCNC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)CCCCCCCCCCCCCCCCCC(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZVODFJWVSDCH-PPZRHOIISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)CC)CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](N)CC(C)C)CSCCSC[C@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C(=O)O)CSSC[C@@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)NC1=O"]}
{"name": "Relaxin receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4739859"], "id": "UniProtKB:Q6R6I6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGASAJLEJWQIF-GARFIVTISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMAJERDVFCRXCW-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cccc(Br)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFTXEMJTYXXDX-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cccc(Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSBXVWZLXNEFFN-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cc(F)cc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJHGKWRADEMRJ-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cc(F)cc(Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCCZGHDSEMFTLK-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cc(F)cc(Br)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWJJFYAMVDYEG-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cc(F)cc(I)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQANKUJRJAGAPT-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYVAPGOEUAONCD-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQASSSYWIWMAOZ-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cc(Br)cc(Br)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTOSCZQIUXURJM-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cc(Br)cc(I)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBFFACUVCRNTP-NSHDSACASA-N", "SMILES:Cc1cc(Cl)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBIIUIHRGWJMKK-JTQLQIEISA-N", "SMILES:O=C1CCSC[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYVAPGOEUAONCD-SNVBAGLBSA-N", "SMILES:O=C1CCSC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQASSSYWIWMAOZ-SNVBAGLBSA-N", "SMILES:O=C1CCSC[C@H](C(=O)Nc2cc(Br)cc(Br)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNIWFGSRBDMFK-XBXARRHUSA-N", "SMILES:COc1ncc(-c2ccc3nccc(/C=C/C(=O)N4CCN(C)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBPMRYYZVXMZIH-SFQUDFHCSA-N", "SMILES:COc1ncc(-c2ccc3nccc(/C(C)=C/C(=O)N(C)CCO)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVGNMUJLBIZJL-QGOAFFKASA-N", "SMILES:COc1ncc(-c2ccc3nccc(/C(C)=C/C(=O)N4CCCC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQXQTCLOBXATA-QGOAFFKASA-N", "SMILES:COc1ncc(-c2ccc3nccc(/C(C)=C/C(=O)N4CCOCC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMAPGTVSWFYCK-XMHGGMMESA-N", "SMILES:COc1ncc(-c2ccc3nccc(/C(C)=C/C(=O)N4CCN(C)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIJQWUAQYTOQE-QGOAFFKASA-N", "SMILES:COc1ncc(-c2ccc3nccc(/C(C)=C/C(=O)N4CCC(O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQXQTCLOBXATA-AQTBWJFISA-N", "SMILES:COc1ncc(-c2ccc3nccc(/C(C)=C\\C(=O)N4CCOCC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLAVNPTRFOLPB-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(S(N)(=O)=O)CC3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHQNNBEBAWVTF-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXIKTRNSOFEJNE-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(S(N)(=O)=O)CC3)cc2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXNNFDJZQWHND-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPPMVVFVQHWGQ-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCN(S(N)(=O)=O)CC3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKLWCJIGALKPQ-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTHHTULGDNIPBZ-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCN(S(N)(=O)=O)CC3)cc2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHIRMUBXJDXTRL-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOHHWYSEIPYJS-HWKANZROSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCCC(NS(N)(=O)=O)C3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHBQDHLSBCARJY-GQCTYLIASA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCCC(NS(C)(=O)=O)C3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCNXGJHOWZBCCS-HWKANZROSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCCC(NS(N)(=O)=O)C3)cc2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWGTOGGUMSNSD-GQCTYLIASA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCCC(NS(C)(=O)=O)C3)cc2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULLXZMWAXTPEI-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCNCC3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONCITCRSYFARFQ-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCNCC3)cc2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBVLMKCOJDBJK-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCNCC3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUANIKZCSRQMPW-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCNCC3)cc2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFHBXFBPRSLEEJ-HWKANZROSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCCC(N)C3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHAJVXVRLCNNZ-HWKANZROSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCCC(N)C3)cc2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONODKKVQHKQFFX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAJLBSZOVKZCD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)c3cccc(F)c3C2=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLVZKXNIYAIQC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTCSXAUJBQZZSN-UHFFFAOYSA-N", "SMILES:CC(C)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCTNZCBFGCCRKX-UHFFFAOYSA-N", "SMILES:O=C(NCCCCC(C(=O)NO)c1ccccc1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOAPPJRDAXBNLD-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)NCCCCC(C(=O)NO)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDNEJXFPFQOOV-UHFFFAOYSA-N", "SMILES:O=C(NO)C(CCCCN1C(=O)c2ccccc2C1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDNEJXFPFQOOV-HNNXBMFYSA-N", "SMILES:O=C(NO)[C@@H](CCCCN1C(=O)c2ccccc2C1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDNEJXFPFQOOV-OAHLLOKOSA-N", "SMILES:O=C(NO)[C@H](CCCCN1C(=O)c2ccccc2C1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILIUYEYBQRPDKW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(C(CCCCN2C(=O)c3ccccc3C2=O)C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLGCXFNIQEECP-UHFFFAOYSA-N", "SMILES:O=C(NO)C(OCCCN1C(=O)c2ccccc2C1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVQRLAQQXSXLMD-UHFFFAOYSA-N", "SMILES:O=C(NO)C(OCCCN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRBSCMVOZIHKD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLQGJCXVOFYHBM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2Cc3ccccc3C2=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJHOILSAAGMDMQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(=O)NO)c(-c2ccccc2)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJSCTVQZGQHBJQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)CCC2=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBGOBTZSDPHRB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NO)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KINRGHJMNNIEQN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQPWCCOIBLQJFA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)c3ccncc3C2=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZZXJHIUQAVZSF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)NCc1ccc(C(=O)NO)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILMHDRGZABQLEW-UHFFFAOYSA-N", "SMILES:O=C1NCCC12CCN(c1c(Cl)cncc1-c1cc3ccccc3o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVNDJEHETZIZCV-UHFFFAOYSA-N", "SMILES:O=C1NCCC12CCN(c1c(Cl)cncc1-c1cc3ccccc3s1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFYQISQYCGDDW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORWCZMTXKXQSP-MEVDHSCASA-J", "SMILES:CC(C)=CCC/C(C)=C/CCc1cn(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORWCZMTXKXQSP-DNFNZZLOSA-J", "SMILES:CC(C)=CCC/C(C)=C\\CCc1cn(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNFWCIIALJJYJU-UHFFFAOYSA-J", "SMILES:O=P([O-])([O-])C(O)(Cn1ccnc1)P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUQVDNQLHPYSKS-UHFFFAOYSA-L", "SMILES:CCCCc1cn(CC(O)(P(=O)([O-])O)P(=O)([O-])O)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYMSGCGWSEUQO-UHFFFAOYSA-L", "SMILES:CCCCCCc1cn(CC(O)(P(=O)([O-])O)P(=O)([O-])O)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMHKNRFDOFBQO-UHFFFAOYSA-L", "SMILES:CCCCCCCCc1cn(CC(O)(P(=O)([O-])O)P(=O)([O-])O)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTGUNEHHBFYKGK-UHFFFAOYSA-L", "SMILES:CCCCc1cnnn1CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMERVWZXFKBMHB-UHFFFAOYSA-L", "SMILES:CCCCCCc1cnnn1CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMGSQFETWJFFU-UHFFFAOYSA-L", "SMILES:O=P([O-])(O)C(O)(Cn1cc(-c2ccccc2)nn1)P(=O)([O-])O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGNGQPCSCNVFC-IXXGTQFESA-N", "SMILES:N[C@@H](C(=O)N1CC(CNc2ccc(F)cc2)C2(C1)CN(c1cc(F)cc(F)c1)C2)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGLKGYOCOVVFKT-UHFFFAOYSA-N", "SMILES:Oc1ccc(CN2CC(CNc3ccccc3)C3(C2)CN(c2ccccc2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOSZSDEEVHWPB-GOSISDBHSA-N", "SMILES:O=C(NO)[C@H]1CCCN1S(=O)(=O)c1ccc(C#Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWRFQNITTBVUMD-MRXNPFEDSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOOWEXHYZAHHRZ-HSZRJFAPSA-N", "SMILES:O=C(Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)NO)cc2)cc1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJQUVBJZRCTFG-QGZVFWFLSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEWQARSDPRMDM-BXUZGUMPSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C[C@H](NC(=O)C(C)(C)C)C[C@@H]2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZIYLYICROTDCU-DOTOQJQBSA-N", "SMILES:CS(=O)(=O)N1C[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSYJUSDFSUOIRT-WMZHIEFXSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAOSFIACYHTRMI-LBNVMWSVSA-N", "SMILES:O=C(NO)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYRDNFYQHYIPA-SCLBCKFNSA-N", "SMILES:O=C(NO)[C@H]1C[C@H](n2cc(-c3ccccc3)nn2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGQDLDHLLZEMM-VNGHWMNVSA-N", "SMILES:O=C(/C=C/c1ccco1)N[C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIGAWQAOMBSMTI-VGOFRKELSA-N", "SMILES:O=C(NO)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSFZMCQPIHTKQ-PGRDOPGGSA-N", "SMILES:O=C(NO)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTQOAHAJQKSTM-WMZHIEFXSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVRVFZXCSVCKY-UHFFFAOYSA-N", "SMILES:COc1cc(NCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOXIGKGAMMGXCX-UHFFFAOYSA-N", "SMILES:COc1cc(OCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOEFDQQUMQBVOB-UHFFFAOYSA-N", "SMILES:COc1cc(SCc2ccc(CN3CCCC3)o2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVWSMDDTFYCVFZ-UHFFFAOYSA-N", "SMILES:COc1cc(SCc2ccc(CN(C)C)o2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHHFHCSZWZJRW-TYIDAPBPSA-N", "SMILES:COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHHFHCSZWZJRW-VIHKMSGRSA-N", "SMILES:COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHHFHCSZWZJRW-BGVLXRPZSA-N", "SMILES:COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMXEOZQJPITOV-KZGNYCDPSA-N", "SMILES:COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)c2c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3ccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPZYJPEWYQJRS-KZGNYCDPSA-N", "SMILES:COc1cc2c(ccn3c2c(-c2ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c2)c2c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4oc(=O)c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMXCAROPJPNCQV-UHFFFAOYSA-N", "SMILES:Clc1c(Cl)c(Cl)c2c([nH]c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIMMRUWTJKEQMM-UHFFFAOYSA-N", "SMILES:Brc1c(Br)c(Br)c2c([nH]c3c(Br)c(Br)c(Br)c(Br)c32)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANJLFOCGPBZLQ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)n1)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADMPCCRPLHYARS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKLLSKMLNDJJN-UHFFFAOYSA-N", "SMILES:OC(c1ccncc1)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIAZJOWHRRRYNS-UHFFFAOYSA-N", "SMILES:CCOn1c(C(O)(c2ccncc2)c2cc3ccccc3[nH]2)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGMGVMBUSYGEO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEILVRMESRWYEE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)c(Cl)c3)CC2)nc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVRDQOTUSDFNR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)c(F)c3)CC2)nc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKUAQOWGKLYLEZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)c(OC)c3)CC2)nc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSGALRBUUYBMG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINXCVBTZBRIPU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)c(Cl)c3)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMGYNDSSVLQMM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)c(F)c3)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODZVMGKRPLQMBL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)c(OC)c3)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPRGGLBAGJZESP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBSHITWLGHMGMC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)c(Cl)c3)CC2)nc1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCAPJGTXWXXOK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)c(F)c3)CC2)nc1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSDYTGFAHMQPP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)c(OC)c3)CC2)nc1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCJOXAQICUCRGY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)nc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVCRJLKNQUTQR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(N)c(Cl)c3)CC2)nc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZZKNAKGIFRGQU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(N)c(F)c3)CC2)nc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQYMOIZIRVQSA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(N)c(OC)c3)CC2)nc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLAAIIPDIASOQN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(N)c(Cl)c3)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKDKJGDJLWWHHY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(N)c(OC)c3)CC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFMORLSZDSPEHE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)nc1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHPCSPHWKNFDTR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(N)c(Cl)c3)CC2)nc1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLWDJAUAHXDSQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(N)c(F)c3)CC2)nc1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXODYPGVTRAJHS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)nc(N2CCN(S(=O)(=O)c3ccc(N)c(OC)c3)CC2)nc1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRYSRRSTKKDAEQ-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBONGJXNHJMFQM-MDZDMXLPSA-N", "SMILES:O=C(O)Cn1c(=O)oc2cccc(/C=C/c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTTJPDQIENUMCG-VOTSOKGWSA-N", "SMILES:O=C(O)Cn1c(=O)oc2ccc(/C=C/c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLWQAYNNLFDDHL-VOTSOKGWSA-N", "SMILES:O=C(O)Cn1c(=O)oc2cc(/C=C/c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQXAUYFSQGRBKP-OWOJBTEDSA-N", "SMILES:O=C(O)Cn1c(=O)oc2cc(/C=C/c3ccc(O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMHPCPHBYNYJY-MDZDMXLPSA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(/C=C/c3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKMXKQKSPAFXQV-VMPITWQZSA-N", "SMILES:COc1ccc(/C=C/c2cccc3c2oc(=O)n3CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZHGVPIWZEDIO-QPJJXVBHSA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(/C=C/c3ccc(O)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOWTFOKYAMTNC-SOFGYWHQSA-N", "SMILES:COc1ccc(/C=C/c2cccc3c2oc(=O)n3CC(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGXUAJVCINONB-FNORWQNLSA-N", "SMILES:COc1cc(/C=C/c2cccc3c2oc(=O)n3CC(=O)O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDOBRMXHVPYYHR-QPJJXVBHSA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(/C=C/c3ccc(C(F)(F)F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRNDDYBLQTIQW-GQCTYLIASA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(/C=C/c3ccc(O)c(O)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUJRIOFQPJXCB-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2cccc3c2oc(=O)n3CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXLVJNXHFOYVAM-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cccc3c2oc(=O)n3CC(=O)O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZDLKUPNVLOEV-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(-c3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPRQKZBPIYNMOT-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(-c3ccc(C(F)(F)F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMYHAJFQAMANR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc3c2oc(=O)n3CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBFCHVNPWFJEA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc3c2oc(=O)n3CC(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPHQPOGQLRBIF-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(-c3ccc(-c4ccccc4)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVEDVQFQECIDEY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cccc3c2oc(=O)n3CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYQIZKGQRBFTN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc3c2oc(=O)n3CC(=O)O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVSWIAQDRQQCF-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(-c3ccc(O)c(O)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEZZNTIHWPDKBB-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(-c3ccc(-c4cccc5ccccc45)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZOWUHVGBPYBEB-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUSRSPNQUHGZNS-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(=O)oc2c(-c3ccc(CO)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWXHIPSZFWHKFV-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N)nc3c2ccn3Cc2ccc(C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLMHPLCYVOENBV-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2nc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)nc3[nH]ccc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLSQVBRMGFLMGL-NSHDSACASA-N", "SMILES:CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLSQVBRMGFLMGL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCCC1C(=O)Nc1nc2cc3c(cc2s1)OCCO3"]}
{"name": "Neuropeptide Y receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL3802"], "id": "UniProtKB:O70342", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEXCSTOTDUMWPC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJANXMZOLXCTL-UHFFFAOYSA-N", "SMILES:O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSAQOWADBHTFT-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXCHQPVYJWXHSE-UHFFFAOYSA-N", "SMILES:O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKIPEBVDUWFIIM-UHFFFAOYSA-N", "SMILES:N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNLJXWZGVRLBA-MRXNPFEDSA-N", "SMILES:CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)[C@@H]1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLLJXWALKQBTO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccccc3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCKLXCHJCGJLM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(Cl)cc3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLWOYZYGAGRAPJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(Br)cc3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBURAIUHSTCQU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(F)cc3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWBXDDVQYIPQDW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPDJDDUHLWELP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3cccc(F)c3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBWJGVNENDDMFS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(C)cc3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGJRRKKEUBEBB-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2nccc(-c3[nH]c(-c4ccccc4)nc3-c3ccc(F)c(OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSIHFDBKHIVLPH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3cccc4ccccc34)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNMKTGDSWGJQMH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccccc3)n2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMDCKUIIVRBOSI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(Cl)cc3)n2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYZCORYSIOFPZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(Br)cc3)n2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZEQPDAQYWSSPK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(F)cc3)n2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZQPPBGASXKAEL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNXRJGYOAURAQJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3cccc(F)c3)n2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDBJZBBNRAFOM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(C)cc3)n2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVFCAEBXDPJZID-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2nccc(-c3[nH]c(-c4ccccc4)nc3-c3ccc(Cl)c(OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZRDUXXGSLOIW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCCNS(=O)(=O)c3cccc4ccccc34)n2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYVSAJXKFFDOEL-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(F)c(O)c2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSJEFYYTMLEGM-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(F)c(O)c2)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWCZPXQSHBPNF-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(F)c(O)c2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYGXFSJSPFNWOG-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(F)c(O)c2)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKHHVSNDKQWSF-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(F)c(O)c2)n1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPMADPQKXXYMGA-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(F)c(O)c2)n1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUFYRVEMHILHG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCNc2nccc(-c3[nH]c(-c4ccccc4)nc3-c3ccc(F)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKLKVMHBBGZPC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2nccc(-c3[nH]c(-c4ccccc4)nc3-c3ccc(F)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDUIQRCBKKOEL-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(F)c(O)c2)n1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMBYEFZJOFTBN-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(Cl)c(O)c2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVGCUCGGPLBVSP-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(Cl)c(O)c2)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOXYYZBIJGCIBQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(Cl)c(O)c2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRFEXJPRWHDCJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(Cl)c(O)c2)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZSSZPITTOEIJO-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(Cl)c(O)c2)n1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLFFQXQEVCZQQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(Cl)c(O)c2)n1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRIOWPCIAVKQY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCNc2nccc(-c3[nH]c(-c4ccccc4)nc3-c3ccc(Cl)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQHUDCBHIYDEPT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2nccc(-c3[nH]c(-c4ccccc4)nc3-c3ccc(Cl)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQSYZMLSYLSPAY-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(Cl)c(O)c2)n1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYFYBZRPGFXFB-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWJLFHEZKVKLG-UHFFFAOYSA-N", "SMILES:COc1cccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCNCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDSUFBKDKQXKL-UHFFFAOYSA-N", "SMILES:COc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCCPKSURNUGDOB-UHFFFAOYSA-N", "SMILES:COc1cc(NC(c2ccc(CN3CCCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFTWJPLFLODPKW-UHFFFAOYSA-N", "SMILES:COc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)n2nc(C)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNFSTCYJPVJYIX-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCN(Cc4ccc(C(Nc5ccnc6cc(Cl)ccc56)c5cccc(Cl)c5)cc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJJHWZUARVVLHM-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)c1ccc(CCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAABLNUWABNMGM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)c1ccc(CN2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGHKIRJWHNTLX-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)c1ccc(CN2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIHNVAARUAABID-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(NC(c3ccc(CN4CCNCC4)cc3)c3cccc(OCCOc4cccc(C(Nc5ccnc6cc(Cl)ccc56)c5ccc(CN6CCNCC6)cc5)c4)c3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYMTTMPIRMSLJ-IRGBNLGYSA-N", "SMILES:CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCN[C@H](C(=O)OC)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)C1"]}
{"name": "Phospho-N-acetylmuramoyl-pentapeptide-transferase", "xref": ["CHEMBL.TARGET:CHEMBL4295560"], "id": "UniProtKB:O66465", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:224324"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLRZVNVJQMGRV-FHGLQEIYSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@H]([C@@H]2CC[C@H](n3ccc(=O)[nH]c3=O)C2)[C@H](NC(=O)OCc2ccccc2)C(=O)O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCLVNUNWZICNL-CXDGQFMDSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBMSHZZUPJYRQD-BOPFTXTBSA-N", "SMILES:COC(=O)N1CCC(Oc2ncnc(Oc3ccc(/C=C4\\SC(=O)NC4=O)cc3)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKOTJOIKPIHCW-PDGQHHTCSA-N", "SMILES:CCOC(=O)N1CCC(Oc2ncnc(Oc3ccc(/C=C4\\SC(=O)NC4=O)cc3)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURIRFXEUDEBFU-BOPFTXTBSA-N", "SMILES:CCOC(=O)N1CCC(Oc2cc(Oc3ccc(/C=C4\\SC(=O)NC4=O)cc3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSQMTUCEOWWDID-UYRXBGFRSA-N", "SMILES:Cc1c(Oc2ccc(/C=C3\\SC(=O)NC3=O)cc2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXIRKTFCQFUNIX-PDGQHHTCSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(Oc2cc(Oc3ccc(/C=C4\\SC(=O)NC4=O)cc3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVPIYVYWBQUME-NDENLUEZSA-N", "SMILES:Cc1c(Oc2ccc(/C=C3\\SC(=O)NC3=O)cc2)ncnc1OC1CCN(C(=O)OCC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDRVTFQPDXNRQ-ODLFYWEKSA-N", "SMILES:CC(C)COC(=O)N1CCC(Oc2cc(Oc3ccc(/C=C4\\SC(=O)NC4=O)cc3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCNMLKZXXUGWHI-HAHDFKILSA-N", "SMILES:Cc1c(Oc2ccc(/C=C3\\SC(=O)NC3=O)cc2)ncnc1OC1CCN(C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INVVHGZIPUFIOP-HMAPJEAMSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(Oc3cc(OC4CCN(C(=O)OCc5ccccc5)CC4)ncn3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUAKASPKWFXJAY-YBEGLDIGSA-N", "SMILES:COC(=O)N1CCC(Oc2cc(Oc3cccc(/C=C4\\SC(=O)NC4=O)c3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRRRKVQXWVKTQ-BOPFTXTBSA-N", "SMILES:CCOC(=O)N1CCC(Oc2cc(Oc3cccc(/C=C4\\SC(=O)NC4=O)c3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NADCFVPGZSKQFI-UYRXBGFRSA-N", "SMILES:Cc1c(Oc2cccc(/C=C3\\SC(=O)NC3=O)c2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDJGLFYDFZJII-PDGQHHTCSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(Oc2cc(Oc3cccc(/C=C4\\SC(=O)NC4=O)c3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEVCWFBCXFIJHH-ODLFYWEKSA-N", "SMILES:CC(C)COC(=O)N1CCC(Oc2cc(Oc3cccc(/C=C4\\SC(=O)NC4=O)c3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDZBGGKITPJMQL-HAHDFKILSA-N", "SMILES:Cc1c(Oc2cccc(/C=C3\\SC(=O)NC3=O)c2)ncnc1OC1CCN(C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCGLDHYFBLGDSL-HMAPJEAMSA-N", "SMILES:O=C1NC(=O)/C(=C/c2cccc(Oc3cc(OC4CCN(C(=O)OCc5ccccc5)CC4)ncn3)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRKFWZFKPBPTNG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNC(=O)c2ccc(-n3ccnc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14192", "category": ["biolink:ChemicalEntity"], "name": "BENZYLIMIDAZOLE", "xref": ["InChIKey:KKKDZZRICRFGSD-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2ccnc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4757185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUGCZGBBJCEDLQ-UHFFFAOYSA-N", "SMILES:O=C1C=C(c2ccc(O)c(O)c2)OC(c2cc(O)ccc2O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGTAGWUOBIRALS-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)-c1cc3ccc(O)c(O)c3c[n+]1CC2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVDHZXGWKGLBS-UHFFFAOYSA-N", "SMILES:COc1c(O)ccc2c1CN1CCc3cc(O)c(O)cc3C1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1197464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVKAUFJQMRSZFH-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)C1Cc3ccc(O)c(O)c3CN1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4793290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSZUKDJWBYNHBO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)[O-].CS(=O)(=O)[O-].NC(=O)c1cc[n+](COC[n+]2ccccc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590824", "category": ["biolink:ChemicalEntity"], "name": "OBIDOXIME MESYLATE", "xref": ["InChIKey:SEONXEBTLQPLJJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)[O-].CS(=O)(=O)[O-].O/N=C/c1cc[n+](COC[n+]2ccc(/C=N/O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRWDALSIVPPCW-UDWIEESQSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccncc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRDSKPYSLWCCY-RGVLZGJSSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CN2CCN(c3ccncc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETZDCZMLVOWCV-SRZZPIQSSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNMBYPMWWGWPFR-UFFVCSGVSA-N", "SMILES:O=S(=O)(Nc1nccs1)c1ccc(NCc2cc(Cl)cc(/C=N/O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBDAAVOONICWLX-FOKLQQMPSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQFDPYMVFSAJL-AUEPDCJTSA-N", "SMILES:O=c1[nH]c2cc(Cl)ccc2n1C1CCN(Cc2cc(Cl)cc(/C=N/O)c2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMXWSMGKUQWLU-CIAFOILYSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CNc2ccc(-n3cccn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFXHXELRYQGWOR-SRZZPIQSSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CNc2ccc(-n3cccn3)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQLYEUGDRVWPG-ZMOGYAJESA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CNc2ncccc2OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNBGMQVIWVSGN-WYMPLXKRSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CNc2ncccc2OCc2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEIRVFPFJYYYPG-SRZZPIQSSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CNc2ccc(N3CCOCC3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCNKOCAAOBKZDH-UFFVCSGVSA-N", "SMILES:O=C1COCCN1c1ccc(NCc2cc(Cl)cc(/C=N/O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWFUNYPOUAZLRY-WSDLNYQXSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CNc2ccc(N3CCOCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVGQONVWEWUXRT-SSDVNMTOSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CNc2ccc(N3CCOCC3)c(F)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTUXHHGHKBRJQ-LSFURLLWSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CNc2ccc(Cn3cncn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBKELKKQBFLPE-FMFFXOCNSA-N", "SMILES:COc1ccc(C(CN(C)c2ccc(NCc3cc(C)cc(/C=N/O)c3O)cc2)C2(O)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDYMNUCLLWHJV-HNSNBQBZSA-N", "SMILES:COc1ccc(C(CN(C)c2ccc(NCc3cc(Cl)cc(/C=N/O)c3O)cc2)C2(O)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYWLVWHCGXRPJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(F)c(C(=O)Nc3c[nH]nc3C(=O)Nc3ccc(F)cc3)c2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHCJMVMWFFHPR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(NC(=O)c4cccc(NC(=O)CCl)c4)n[nH]c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKZRRLEELHDIL-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(-c2ccc3c(NC(=O)c4cccc(NC(=O)CCl)c4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZVRFAIDFHWBG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cc(OC)cc(OC)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVNLRNRDQZGYRV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBXDCZQCEQZTSA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cc(C)cc(C)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUYPMJJFXQNSHK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccc(OC)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJCONXRKNCQNPB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccs3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDELFOBSVAYVML-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC(F)(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZLBMZAOMBPYHG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNAYSWXKPFPASH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cc(F)cc(OC)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGMTIHBKYCQBD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cc(OC)ccc3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCUHSQCVNLEAHT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cc(OC)cc(OC)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJKPHARNBOEYOG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cccc(OC)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUCMGEOEQPYCJO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cc(F)cc(OC)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJSSHAYDMFKEU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cc(OC)ccc3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTPQWZZUGUUOY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccc3c(NC(=O)c4cccc(NC(=O)CCl)c4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLOPLLSYLJRIZ-LAJNKCICSA-N", "SMILES:C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@]2(CS(=O)(=O)c3cc(N)ccc32)C1=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPXZNSHSPSWPW-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(Cl)cc3)cc(OCCCN3CCOCC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYOCRCXEAQNLOP-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C(F)(F)F)cc3)cc(OCCCN3CCOCC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEFYCSKFDBXSSK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3occ(-c4cccc(C5CCNCC5)c4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUOLNXJAQPJKF-UHFFFAOYSA-N", "SMILES:CN1CCC(c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVTNPVQFMSQPJQ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3occ(-c4cccc(-c5cn[nH]c5)c4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQYRDDJENLAME-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZZCEDCBNWCRR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3occ(-c4cccc(-c5cc[nH]n5)c4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOLXXVMFVSTNLJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJWBPPWAPHJBEQ-UHFFFAOYSA-N", "SMILES:CC1(c2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQRGNUXIYRRBER-UHFFFAOYSA-N", "SMILES:C=C(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOZUGIHTSIWTIK-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIUGVTHIGIBJMT-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDNVJIDFNXGSGT-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXEZKQRPUIYVRE-UHFFFAOYSA-N", "SMILES:c1n[nH]cc1-c1ccc2occ(-c3ccc(C4CCCCC4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVHRHNVCYWWCM-UHFFFAOYSA-N", "SMILES:c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLYOYEDXPDCWAL-UHFFFAOYSA-N", "SMILES:c1ccc2cc(-c3coc4ccc(-c5cn[nH]c5)nc34)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLMDVYRPCVHXPK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHAXXDYIZVWAZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2coc3ccc(-c4cn[nH]c4)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODCXYSYHXJMMPY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2coc3ccc(-c4nn[nH]n4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTGZHJWTKLQHBK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2coc3ccc(-c4cn[nH]n4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFNLJHDZXQOCL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2coc3ccc(-c4cc[nH]n4)nc23)cc1"]}
{"name": "Cyclin-dependent kinase-like 3", "xref": ["CHEMBL.TARGET:CHEMBL1163117"], "id": "UniProtKB:Q8IVW4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQXVUBDNHQEMGO-UHFFFAOYSA-N", "SMILES:O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUKWWWCNSTFHL-RIYZIHGNSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2c[nH]c(=O)c(-c3ccc(N4CCNCC4)nc3)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDBDKBGNCEPCD-CAVYSCNFSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJNJFDFMVPBAGB-OIFPXGRLSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)OCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQOWOHYHHRCRV-JOYXZSCHSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXDLGLSARJOLV-OPXMRZJTSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPOXQWKZDMJOPG-ARPGKMIJSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZZUFXHYJLEEG-OPXMRZJTSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHCRYQAWFAKCE-OLFOKHSRSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)c2cccc(-c3ccccc3)n2)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQRMHWNNPKSMG-XCSRUNNASA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUDNYENFOJLICZ-WGFGNGDISA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMPAEYMSFVUOJE-KCHLEUMXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOYCYPALQYQJRZ-HDXYBINASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWVKRORZNOCKTA-RNCAPKPVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHOIYQRHPMIDQM-ZDCRTTOTSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUXZYRMNXVAVPZ-CHQNGUEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COMFWIPPLXGAJQ-AFEGWXKPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1)C(=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQBXFVCAIIKPRZ-AWCRTANDSA-N", "SMILES:COC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJRYMRGYUVAALJ-OLFOKHSRSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)OCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKEHOUUCLVZJLA-ZDCRTTOTSA-N", "SMILES:CC(=O)c1cccc(NC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZVFNFWVRSOYCM-IMKBVMFZSA-N", "SMILES:CC(=O)c1cccc(NC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHOWTGZQUOPOV-AFEGWXKPSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQGSJVZUQXJTG-FSEITFBQSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKAIECNDSDEBHL-DTXPUJKBSA-N", "SMILES:CC(=O)c1cccc(NC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEYXWTSASJCSOG-CHQNGUEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONESELJXBLHZBG-CHQNGUEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1cccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJVZFKNHZPMSM-AFEGWXKPSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNRMXSXMKQTLV-CHQNGUEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1cccc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZCRHFFOGUZKAP-DTXPUJKBSA-N", "SMILES:CCc1cccc(NC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGRSAQAHQRODRU-DTXPUJKBSA-N", "SMILES:COc1cc(NC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQIVUPNAULZFJ-MSQADJIASA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2cc(OC)cc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUQBHZSJXAKKQX-MSQADJIASA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWKINMZSJOFKI-VWEDRDCMSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKLJQPNQICGVEA-YDZBWFOPSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAEWHFJNUIAMSI-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(Cc3cc(=O)oc4cc(OCc5ccccc5)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSPFBVXXXSEPCT-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(Cc3cc(=O)oc4cc(OCc5ccc(Br)cc5)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMBUXAGULYNFZ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(Cc3cc(=O)oc4cc(OCc5cccc(Br)c5)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGWJIKSRKHNZLF-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(Cc3cc(=O)oc4cc(OCc5cccc(Cl)c5)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFHYPCDOXZXSO-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(Cc3cc(=O)oc4cc(OCc5ccccc5F)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDADFAHPAARAD-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(Cc3cc(=O)oc4cc(OCc5ccccc5[N+](=O)[O-])ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPGUAQELTXXCR-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(Cc3cc(=O)oc4cc(OCc5ccc([N+](=O)[O-])cc5)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZBMBJPSKBSPND-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(Cc3cc(=O)oc4cc(OCc5cccc(OC)c5)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVGUGCVQBDQEZ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(Cc3cc(=O)oc4cc(OCc5cc(C)cc(C)c5)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJWNWEBEASXEHP-UHFFFAOYSA-N", "SMILES:O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3ccccc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZOYVWOQIUQDEP-UHFFFAOYSA-N", "SMILES:O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3ccc(Br)cc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBPILFLMOPZQB-UHFFFAOYSA-N", "SMILES:O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3cccc(Br)c3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFWBQVYSRBUWIF-UHFFFAOYSA-N", "SMILES:O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3cccc(Cl)c3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVPQFRLAVITSK-UHFFFAOYSA-N", "SMILES:O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3ccccc3F)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGSDGAFMUAOTF-UHFFFAOYSA-N", "SMILES:O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3ccccc3[N+](=O)[O-])cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKAOBGVZMJIPHE-UHFFFAOYSA-N", "SMILES:O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHBBWYZTWCSOGA-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTACHLQLFVVPCO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUKWFNCIDORAD-UHFFFAOYSA-N", "SMILES:O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3cc(F)ccc3F)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNFOVWUPMKDVAC-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nnc(COc3ccc4c(C)cc(=O)oc4c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHTSSHOIDHSRLX-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3nnc(SC(=O)c4ccccc4)o3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIJQDPLFHHGPA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2cc(COc3ccc4c(CCl)cc(=O)oc4c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOSHVRLUFZOTA-QFIPXVFZSA-N", "SMILES:N[C@@H](CSC1(c2ccc(C(F)(F)F)cc2)c2ccccc2CCc2ccccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWTKCWNUOGQBEP-UHFFFAOYSA-N", "SMILES:NC(CSC1(c2ccc(C(F)(F)F)cc2)c2ccccc2CCc2ccccc21)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXZWOHUUEYVQES-UHFFFAOYSA-N", "SMILES:NC(CSC1(c2ccc(C(F)(F)F)cc2)c2ccccc2CCc2ccccc21)C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMFXELRLCOATC-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)C(N)CSC1(c2ccc(C(F)(F)F)cc2)c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYPJCOCPYJHEK-UHFFFAOYSA-N", "SMILES:NC(CSC1(c2ccc(C(F)(F)F)cc2)c2ccccc2CCc2ccccc21)C(=O)NCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCZKKPVDDNLILL-UHFFFAOYSA-N", "SMILES:NCCOCCOCCNC(=O)C(N)CSC1(c2ccc(C(F)(F)F)cc2)c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBYDSIBMTYAWBB-IDISGSTGSA-N", "SMILES:N[C@@H](CCC(=O)C[C@@H](CSC1(c2ccc(C(F)(F)F)cc2)c2ccccc2CCc2ccccc21)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNLVTYGPKQQKMP-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGWQDHDUNOAHY-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSRHUJKRYNBHZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKHBWPSMRRQQD-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3cccc(F)c3)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSICPTDRMBTMON-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3ccc(F)cc3)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRXNBVYNBHKIT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3ccccc3C)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXSVCLUDQARGGX-UHFFFAOYSA-N", "SMILES:Cc1cccc(NCc2nc(-c3ccc4[nH]ncc4c3)c(-c3cccc(C)n3)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQITVCPBOHXPEG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2nc(-c3ccc4[nH]ncc4c3)c(-c3cccc(C)n3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHGCXYQSDOHURD-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJUAWATEKXUSU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCGKHAXQRCBGT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3cccc(F)c3)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYCSMDDTSMSRGN-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3ccc(F)cc3)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPMPHUIFSJZAT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNc3ccccc3C)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEYBPKZGESRTRA-UHFFFAOYSA-N", "SMILES:Cc1cccc(NCc2nc(-c3ccc4c(cnn4C)c3)c(-c3cccc(C)n3)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMYLFFKZOOMQU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2nc(-c3ccc4c(cnn4C)c3)c(-c3cccc(C)n3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGAZVGZUBCFHRJ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(Oc3ccnc4[nH]cc(-c5ccccc5)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIIPGVTCVYGIU-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cnc(OCCC4CC4)nc3)c2cc1OCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRBYYSKWYYQEJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3cnc(OCCCC4CCCC4)nc3)ncnc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYULJCYPOLXGV-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(c2cnc(Nc3cc(F)c(OCC4CC4)c(F)c3)nc2NC2CCOCC2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUOCYNYQYDGGU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Nc2ncc(N3CCOCC3)c(Nc3ccccc3)n2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZUKBJXCAINQEE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cnc(Nc2ccc(O)cc2)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKDBZSATWXQVOG-UHFFFAOYSA-N", "SMILES:CNc1nc(OCC2CCC2)nc2c1ncn2Cc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAUXOQNQAAUBJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cc(NC(=O)C3CC3)ncn2)cc1)Nc1ccc(CN2CCn3ccnc3C2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMSXCJHWSPPQRP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(N2CC3CC2(CNC(=O)c2c[nH]c4ncc(Cl)cc24)C3)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWENGGARDXLTTR-FGZHOGPDSA-N", "SMILES:CNC(=O)C[C@@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)c1c(C)noc1-c1snnc1C)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRJOLMYEVNSEK-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(-c3ccccc3Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLMRVDLSUJPCPS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(N2CC3CC2(CNC(=O)c2c[nH]c4ncc(C)cc24)C3)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFUTHVAVQPTFA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(N2CC3CC2(CNC(=O)c2c[nH]c4ncc(C(F)(F)F)cc24)C3)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJQFBBFEPIQMHG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(N2CC3CC2(CNC(=O)c2c[nH]c4ncccc24)C3)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXGLZTZRFVNQF-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2c(c1)CCCO2)c1nnc(-c2ccc(-c3ccccc3Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOXRJAZIAZMHI-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(-c3ccccc3Cl)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZDMXCJPPAMOF-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(OC3CCCC3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTJCRPRTMNCMR-UHFFFAOYSA-N", "SMILES:Cc1cc(N(C)C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJNLLWRRSZZRR-UHFFFAOYSA-N", "SMILES:CCn1c(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNEVROJYJXVARX-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3cnc(NC(=O)c4cccn4C)nc3)ncnc2cc1OCCCNC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFZCTAXVZNUNV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc(OC)cc2C)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWZRHMXFDZUHLF-UHFFFAOYSA-N", "SMILES:CNc1nc(OC2CCCC2)nc2c1ncn2Cc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUTGIFIXXKZMMU-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nccn2c1)c1nnc(-c2ncc(C(F)(F)F)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVEHRCFXXIOULZ-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCc2c(F)cc(F)c3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSCQSFMYYMSUSN-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCc2c(F)cc(Cl)c3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLKMVIYVDETDN-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCc2c(F)cc(C#N)c3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWQTGPXZCEXRZ-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCc2c(F)cc(N)c3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOROYSFTQZHEKF-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(CNc2ncc(-c3cccnc3C)c3nncn23)c2c1OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGNXIXAVZXKMA-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)n2cccc2)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTDVKGQRGYCOH-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)N2CC=CC2)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPHQTIWENACUEU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(=O)N2CCCC2)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELCXDNDJCPQBX-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CC=CC2)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNULBDRYFUFLLU-UHFFFAOYSA-N", "SMILES:CSc1cc(C(=O)N2CC=CC2)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNNHWGQWIPTMDC-UHFFFAOYSA-N", "SMILES:CCCc1cc(C(=O)N2CC=CC2)cc(C(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKSZDQNCXVAZMK-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CC=CC2)cc(C(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJOWEBHTYXDWES-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CC=CC2)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXKGVQHKOWLAGX-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CC=CC2)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJFFBFHGZWKTG-UHFFFAOYSA-N", "SMILES:CCCc1cc(C(=O)N2CC=CC2)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRZDAWXVRGSFK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(=O)N2CC=CC2)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGBWQUCNXHSGQS-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CC=CC2)cc(C2CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEDQCMOHKOYGB-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCCC2)cc(C(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQOKPQHFSXYYJL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCC2)cc(C(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPDNAMJMKEPJT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(=O)N2CCC2)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTEKWXJGGGEZCP-UHFFFAOYSA-N", "SMILES:CC1=CCN(C(=O)c2cc(C#N)c(O)c(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNVGFLDWYYBBQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCSC2)cc(C(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWOPXNHTSHQXMF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCSC2)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNAOTUYQAOOAIU-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)N2CCSC2)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNDHURZSNJTNX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(=O)N2CCSC2)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOMGSUHGQWCRB-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCSC2)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXPPJZOQTYXOL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)N2CCS(=O)(=O)C2)cc(C(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCIJUUFMKJGRA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc(N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPCNGCAAYTTHA-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104908", "category": ["biolink:ChemicalEntity"], "name": "SULFAZAMET", "xref": ["InChIKey:MTERSQYMYBGZTP-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(N)cc2)n(-c2ccccc2)n1"], "synonym": ["Sulfapyrazole", "Sulfapyrazole", "Sulfapirazol", "Sulfazamet", "Sulfazamet"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJTMYCFHCDKWGU-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nccc2NS(=O)(=O)c2ccc(N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWWZNPMQPMYET-GHVJQWSNSA-N", "SMILES:CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWWZNPMQPMYET-DBJBKWJYSA-N", "SMILES:CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRDDESQGXYVSBF-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(C2CCCCC2)c2nccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJYSJOUGQNVSI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDQAPPRBHAMFF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(C3CCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWMAPMFOTZVWCT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMBNMDIKDKGUNQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(-c3ccncc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGGJKLGNVZOPDE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(-c3cccc(OC)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGONAQSJJCCYGO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(-c3cccc(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEFEOMJTYZKCT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(-c3cccc(N)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAAGTHQSEPWECF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(-c3cccc(O)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWCDORLWHHVNI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(-c3ccc(O)c(O)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXFNZQRDVTNLN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(-c3cc(O)cc(O)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEPVTQVKWDICCG-UHFFFAOYSA-N", "SMILES:Nc1ncc(C(=O)O)c2nc(-c3cccc(O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKGQASXPLCNRU-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cnc(N)n2nc(-c3cccc(O)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHPRLLDCIBZPL-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cnc(N)n2nc(-c3cc(O)cc(O)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBQNKLRNVYBLTI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCNC(=O)c1cnc(N)n2nc(-c3cc(O)cc(O)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFNUWGVEIYBQZ-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1cnc(N)n2nc(-c3cccc(O)c3)nc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTWDGONLSKNHX-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1cnc(N)n2nc(-c3cc(O)cc(O)c3)nc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFGCESIFVMSAZ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)cc2nc(-c3cccc(O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHMQVYWJVJLSRQ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)cc2nc(-c3cc(O)cc(O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWGDCIUZDKUGC-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc2nc(-c3ccc(O)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQDNJFFCAHIMQD-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc2nc(-c3cccc(O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXXRHCFVYZGBY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(NCc4ccccc4)nc(N)n3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEHYPKYWQDAHGZ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc2nc(-c3ccc(O)c(O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDZLJIIBZDDHSI-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc2nc(-c3cc(O)cc(O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHQHKUNNZJVNFH-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccc(Cl)cc2)nc2nc(-c3cc(O)cc(O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOKOHDOJPYTOED-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccc(F)cc2)nc2nc(-c3cc(O)cc(O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJOQUUYDYJKGCG-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNc2nc(N)n3nc(-c4cc(O)cc(O)c4)nc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGLXJMNRMUIKM-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2CCCCC2)nc2nc(-c3cc(O)cc(O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATEHUTXUMHNWNQ-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(-c2nc3nc(NC4CCCCC4)nc(N)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUMHBSSOYDUJRS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(-c3ccc(F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMHSRPUKAOUJT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N)n2nc(-c3ccc(OC)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCKABPUOSZUSKH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2nc3cc(NC4CCCCC4)nc(N)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDBUIUHVNECTM-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPWHRQHBPRSUAW-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(Cc3ccon3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKLNPUKNSARQMG-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYYHYKITSYIBN-UHFFFAOYSA-N", "SMILES:CC(C)Nc1c(-c2cn(CCCO)nn2)cnc2sc(-c3ccc(=O)[nH]c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCBDWURYIKEHOP-UHFFFAOYSA-N", "SMILES:CC(C)Nc1c(-c2cn(CCCO)nn2)cnc2sc(-c3cncs3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSFXSFMKTYASC-SHTZXODSSA-N", "SMILES:CC(=O)N[C@H]1CC[C@H](NC(=O)c2cnc3sc(-c4cncs4)cc3c2NC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZUKUCTIKSHPM-MRXNPFEDSA-N", "SMILES:CC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3ccc(=O)[nH]c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJJCLSMARNVULZ-QGZVFWFLSA-N", "SMILES:CC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAAHHXMCVPRARJ-OAHLLOKOSA-N", "SMILES:CC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3cn[nH]c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXCQRTCLXJRMGZ-PRVPNRJLSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C(=O)CCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O.F[P-](F)(F)(F)(F)F"]}
{"name": "Cytochrome c oxidase subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL6173"], "id": "UniProtKB:P00395", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTRPIKVITBGONZ-RXGBFWRUSA-N", "SMILES:C[C@H]1c2ccc(NC(=O)CCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRACDSIGJHAEFF-MGLSWVBHSA-N", "SMILES:C[C@H]1c2ccc(NC(=O)CCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LETKLPVHNAWHOE-YMXJSRHDSA-N", "SMILES:C[C@H]1c2ccc(NC(=O)CCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFVZXCHTNGIEQC-UNOMPAQXSA-N", "SMILES:Cc1c(-c2ccc3c(c2)/C(=C/c2cc4ccccc4[nH]2)C(=O)N3)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETQJCCLTCSMCF-APSNUPSMSA-N", "SMILES:Cc1c(-c2cc3c(cc2F)NC(=O)/C3=C\\c2cc3ncccc3[nH]2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWLALBXXKNZFF-ZDLGFXPLSA-N", "SMILES:Cc1c(-c2ccc3c(c2)/C(=C/c2cc4cnccc4[nH]2)C(=O)N3)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFWIIJDLELGDJL-YVLHZVERSA-N", "SMILES:Cc1c(-c2cc(F)c3c(c2)/C(=C/c2ccc(C4CC4)[nH]2)C(=O)N3)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYOIGXHMRKRQCY-IUXPMGMMSA-N", "SMILES:Cc1c(-c2ccc3c(c2)/C(=C/c2cc(C#N)c[nH]2)C(=O)N3)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRJKWOAPKOHXES-YVLHZVERSA-N", "SMILES:Cc1ccc(/C=C2\\C(=O)Nc3ccc(-c4cnc5c(c4C)NCCO5)cc32)[nH]1"]}
{"name": "RNA cytidine acetyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4105935"], "id": "UniProtKB:Q9H0A0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSLZBFCDCINBPY-ZSJPKINUSA-N", "SMILES:CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4749965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPEDYQOVHQWDCG-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(C(N)=O)cc1Oc1ccc(OCCOC2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGCWTDMTTSHWBF-OAHLLOKOSA-N", "SMILES:C[C@@H](O)c1ccc(C(N)=O)cc1Oc1ccc(OCCOC2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZKAEHGFIQDFV-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(NC(C)C)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IALMYBOXBJDJPT-SFHVURJKSA-N", "SMILES:Cc1cc2nc(N[C@H]3CCOC3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCGEZFRJSPDKD-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMWROZOZDDKSMH-INIZCTEOSA-N", "SMILES:Cc1cc2nc(N[C@H]3CCOC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMWROZOZDDKSMH-MRXNPFEDSA-N", "SMILES:Cc1cc2nc(N[C@@H]3CCOC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IALMYBOXBJDJPT-GOSISDBHSA-N", "SMILES:Cc1cc2nc(N[C@@H]3CCOC3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJTUEPSHQFFPK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC2CCN(c3nc4cnc(C)cc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZWNUDRPDQWSN-IYBDPMFKSA-N", "SMILES:Cc1cc2nc(N[C@H]3C[C@@H](O)C3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCXROWNKAARGH-HDICACEKSA-N", "SMILES:Cc1cc2nc(N[C@H]3C[C@@H](O)C3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQLQPXVLGRBHO-WKILWMFISA-N", "SMILES:Cc1cc2nc(N[C@H]3C[C@H](F)C3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FORRSFSVIFHJBA-IYARVYRRSA-N", "SMILES:Cc1cc2nc(N[C@H]3C[C@H](F)C3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZWNUDRPDQWSN-WKILWMFISA-N", "SMILES:Cc1cc2nc(N[C@H]3C[C@H](O)C3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCXROWNKAARGH-IYARVYRRSA-N", "SMILES:Cc1cc2nc(N[C@H]3C[C@H](O)C3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEDCXBIIDNJOX-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(NC3COC3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNHHOHEQYIREH-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(NC(C)C)c(N3CCC(Oc4ccc(OC(F)F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZCKUHUHIMBRJB-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(NC3CC3)c(N3CCC(Oc4ccc(OC(F)F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXXBLWFLRXPUNW-OAHLLOKOSA-N", "SMILES:Cc1cc2nc(N[C@@H]3CCOC3)c(N3CCC(Oc4ccc(OC(F)F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXXBLWFLRXPUNW-HNNXBMFYSA-N", "SMILES:Cc1cc2nc(N[C@H]3CCOC3)c(N3CCC(Oc4ccc(OC(F)F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJMKLKVBDADQSR-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(c3nc4cnc(C)cc4nc3NC(C)C)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYEFLMHMKFDONM-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(c3nc4cnc(C)cc4nc3NC3CC3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUFHJCIUUMTIT-GOSISDBHSA-N", "SMILES:COc1ccc(CN2CCN(c3nc4cnc(C)cc4nc3N[C@@H]3CCOC3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUFHJCIUUMTIT-SFHVURJKSA-N", "SMILES:COc1ccc(CN2CCN(c3nc4cnc(C)cc4nc3N[C@H]3CCOC3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDAGBBBTKWJPTA-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(NC(C)C)c(N3CCN(Cc4ccc(OC(F)F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJTKDNRPKOEMBF-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(NC3CC3)c(N3CCN(Cc4ccc(OC(F)F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUZJCGZNKIGQCW-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC(C)C)nc2cn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLDLNADJVWWLW-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC3CC3)nc2cn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDAYWXIYUFUTM-SFHVURJKSA-N", "SMILES:Cc1cc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(N[C@H]3CCOC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDAYWXIYUFUTM-GOSISDBHSA-N", "SMILES:Cc1cc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(N[C@@H]3CCOC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBLPZZIMYVKCTJ-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC3CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTXJWPEBCICKX-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPAIALIPDYXTFG-MRXNPFEDSA-N", "SMILES:Cc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N[C@@H]3CCOC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPAIALIPDYXTFG-INIZCTEOSA-N", "SMILES:Cc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N[C@H]3CCOC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKVRKOSYAEHKT-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(N3CCC(Oc4ccc(OC(F)F)cc4F)CC3)c(NC(C)C)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULPFUORROBVCZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(c3nc4cc(C)ncc4nc3NC(C)C)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQPMBSPMINFIS-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC3COC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOEMSQCYTSQEEQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2[nH]c(Nc3ncccn3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMPZJYDZWUWHT-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CCC(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYYZQYKXQJXQA-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CCN(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVLYWOLAOAKQM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZJACZPSOWPBL-UYAOXDASSA-N", "SMILES:C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLUORUUGUNHQIW-OUKQBFOZSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)N2CCCC(Nc3ncc(/C=C/c4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BULBBWSMORELAY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)N2CCCC(Nc3ncc(CNCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHWTHWMLDRSHF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(S(=O)(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNYFQLNCVPOKT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2cc(S(=O)(=O)N3CCCC(Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULNNXNBBBWXDG-SJLPKXTDSA-N", "SMILES:C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXWDEAQOOQXIND-IRUYWQDXSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMLSMKNXYWXSKI-VOTSOKGWSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAFHXBBZJZYUIJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFAKQBBVXIIUEC-UXBLZVDNSA-N", "SMILES:CN(C)CC/C=C/C(=O)Nc1ccc(C(=O)N2CCCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTFBNTYFTGIOEK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMAJGFYNRRZUJX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJOGINZFZUJPP-JXMROGBWSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIUSXXNEKMFGZ-VOTSOKGWSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIVVEORDIGFRH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXCNOMPSSIJKDE-XYOKQWHBSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSNLHQAHNBSHIX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COGUZYALRYMQTD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXFEHJUJZDISP-VQHVLOKHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDYTOGJVAOMKI-VQHVLOKHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBSENKAVBVZEJ-GOSISDBHSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBRFXZJIFIXQNC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)N2CCCC(Nc3ncc(SCc4ccccn4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDADWUSJUXKJW-LJQANCHMSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cncnc4)s3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UERVRFHXFKTUAC-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2c(C#N)c(C)nc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPNUQXPIQBZCMR-IBGZPJMESA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1908842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBJNPWVIUFSTR-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3603847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJNFLYHUXWUPF-IZZDOVSWSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGOXKMFMFFNEQJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cncn2C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLOGCHDCTRINMU-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJCXELXJGTDQD-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMRSRGYFUEAOD-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DILPMEWMDRKMEE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1-n1cc(-c2cncn2C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPCZUKJTQIWDU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1-n1cc(-c2cncn2C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHLDODISHFXDZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPFWAQKOGBNPW-UHFFFAOYSA-N", "SMILES:Cc1ncn(C)c1-c1cn(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCGRRFYRPMAIF-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3F)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWENMWNPGXZIFV-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cc(F)cc(C(F)(F)F)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGGUZVKQZMSSNJ-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(C#N)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APJRWMOKPUNSPX-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYNNCDNIVTGNL-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNPTAWZVLVWET-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAJHFRGWFEUFX-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMKACZLECGIPJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDLSLNBIDCDHA-UHFFFAOYSA-N", "SMILES:Cc1ncn(C)c1-c1cn(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJSPAIOUXCLCDP-UHFFFAOYSA-N", "SMILES:Cc1ncn(C)c1-c1cn(-c2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVUWZJNMWLTNY-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(OC(F)F)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRSDSXYZJMGKTQ-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(OC(F)(F)C(F)F)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCQKPQHLCYEXPZ-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTLCWWOTIOQSU-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMDDVZHLOOTMSC-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MROGNWULDCOZAA-NSHDSACASA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3cccnn3c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBSRCOWJIKIQHY-NSHDSACASA-N", "SMILES:Cc1cc([C@H](C)NC(=O)Cn2nc3cccnn3c2=O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPIYUQLWNDBMLG-NSHDSACASA-N", "SMILES:Cc1cc(Cl)ccc1[C@H](C)NC(=O)Cn1nc2cccnn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVFPTDHVUXWIMG-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3cccnn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUIEJLBBIIJID-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVLRVOHCOYXQX-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANYSBBRPHMOGCR-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJNXMHUSLXXQOF-NSHDSACASA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3cccnn3c2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAVOGQFLCIZWOK-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(OC(F)(F)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPCGWILTPFAAK-QMMMGPOBSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccc(Cl)nn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZWPHWSKXLSGW-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccc(Cl)nn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERVBVWAGPGPGH-VIFPVBQESA-N", "SMILES:COc1ccc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFPOWZNINMQLA-JTQLQIEISA-N", "SMILES:COc1ccc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWZYIIUHANOOC-JTQLQIEISA-N", "SMILES:Cc1ccc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAQUKHDGAARCSA-NSHDSACASA-N", "SMILES:Cc1ccc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJPLRZLEOBGKD-JTQLQIEISA-N", "SMILES:Cc1cnn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRKNSNGPVHLCY-NSHDSACASA-N", "SMILES:Cc1cnn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGELCXMDRNZDIQ-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(C3CC3)cnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIGDCQILGGIURW-QMMMGPOBSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(Cl)cnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUQGITMYEDZLHS-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(Cl)cnn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZXJIBZFKKYONA-VIFPVBQESA-N", "SMILES:COc1cnn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHGYJWJHAGOFT-JTQLQIEISA-N", "SMILES:Cc1ccnn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKEBPUFGEPZSSO-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3c(C)ccnn3c2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKAQMHWUYKTXID-QMMMGPOBSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(I)ccnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANLLKEQWCAFUCO-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(I)ccnn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQAWWWQCWWVDEF-VIFPVBQESA-N", "SMILES:COc1ccnn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWIZBOHBWFRCFE-QMMMGPOBSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(C(F)(F)F)ccnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURHXEXDAAEIRG-NSHDSACASA-N", "SMILES:Cc1cnn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMHUAUJRWUTVRS-INIZCTEOSA-N", "SMILES:O=C(Cn1nc2cccnn2c1=O)N[C@H](c1ccc(Cl)c(F)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSAUELSXAPTDN-ZDUSSCGKSA-N", "SMILES:CC[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEYHLXTUDRFTC-INIZCTEOSA-N", "SMILES:CC(C)[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTDYLRSZFBXMCI-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccc(C3CC3)nn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUUAJFAMODVKGZ-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccc(N3CCCCC3)nn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTMVUALPUFLHM-VIFPVBQESA-N", "SMILES:CNc1ccnn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNCMBEYQEMXOSY-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(N3CCOCC3)ccnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICYHZXPINXBXFD-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(NC3COC3)ccnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLCKMXHMPDGCP-JTQLQIEISA-N", "SMILES:CNc1ccnn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSSOTFKVNLUPX-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(NC3COC3)ccnn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXTXRQFIPRKQR-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(NCC(F)F)ccnn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQZKEIFULDYKQ-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(N3CCOCC3)cnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTZOOWGPPIJSBY-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccc(C3CC3)nn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPBPQCYUVQUCG-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(C3CC3)ccnn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRFPISYXWDFOY-RGURZIINSA-N", "SMILES:CC(C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)n1nc2cccnn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXLAAWASGCBCK-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cnccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNHLFXHDKIWHC-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3cnccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUVNUOTTGAETK-VIFPVBQESA-N", "SMILES:Cc1nccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVCBZXGUJZXBU-JTQLQIEISA-N", "SMILES:Cc1nccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAEYHMKWNKIYFC-ZDUSSCGKSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3cnc(C)cn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWLBVUCOJHRNA-NSHDSACASA-N", "SMILES:Cc1cn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIOBQOZGBRDLP-VIFPVBQESA-N", "SMILES:CNc1nccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOZRUUZDGQNCG-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(N3CCCCC3)nccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPDMMUGTLZBGM-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(NC3COC3)nccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEZBXEYTBJAMHK-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(C(F)F)nccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZNVKGBNXKFAG-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3ccncn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLEOVPISZLBGMK-ZDUSSCGKSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3cc(C)nc(C)n3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZKFZBDPBRQNY-NSHDSACASA-N", "SMILES:Cc1cc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)n2c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOLJZNSTOKHPS-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(N3CCNCC3)nccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMSZMJBEBIVGK-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(N3CCN(C)CC3)nccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFQFWGUNDVOAQ-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQCXWWNIWKOLNR-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAIFBBSFIDGWNK-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncccn2c1=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLYKVPVSCITMT-NSHDSACASA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3ncccn3c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFOWRZXFWXOIL-NSHDSACASA-N", "SMILES:Cc1cc(Cl)ccc1[C@H](C)NC(=O)Cn1nc2ncccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRALZKGPHMGMU-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncccn2c1=O)c1ccc(OC(F)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVKHWNWSQKDMPD-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncccn2c1=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNLIIEZGBVLBGC-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3ncccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXOFHFBTTRFZBQ-NSHDSACASA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3ncccn3c2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVALCDSEVQNAJV-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncccn2c1=O)c1ccc(OC(F)(F)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIYYNQPPDKGZCF-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncccn2c1=O)c1ccc(C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHDUYJMQIKKRQ-VIFPVBQESA-N", "SMILES:COc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRAVZFKFHDNWRI-NSHDSACASA-N", "SMILES:Cc1cnc2nn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWMDFXCKKBFUOT-LBPRGKRZSA-N", "SMILES:COc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLZQGKYKPYFDM-JTQLQIEISA-N", "SMILES:COc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSIGLNNKFPHDNS-JTQLQIEISA-N", "SMILES:COc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMPBYIJSPFLJNZ-JTQLQIEISA-N", "SMILES:Cc1cnc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJWVDCONAMMTK-QMMMGPOBSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncc(Cl)cn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKYEIDBRBVPHZ-QMMMGPOBSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncc(F)cn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNZMEPGOFVBLW-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncc(F)cn2c1=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXBVSXNLMECAK-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncc(F)cn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAHFBGAZUBPXAA-JTQLQIEISA-N", "SMILES:COc1cnc2nn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXRGZEJMRGXAAC-JTQLQIEISA-N", "SMILES:COc1nc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)c(=O)n2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNOPYFUDIQJLHN-JTQLQIEISA-N", "SMILES:Cc1cnc2nn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)c(F)c3)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZZDYUGLKPMWAW-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncc(C3CC3)cn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQAULYWUMSUHQ-NSHDSACASA-N", "SMILES:Cc1cc(C)n2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWCATADIUNULT-LBPRGKRZSA-N", "SMILES:Cc1cc(C)n2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITOIFIMSCSPAE-RGURZIINSA-N", "SMILES:CC(C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)n1nc2ncccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJLRYMLFYWTLQ-NSHDSACASA-N", "SMILES:Cc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEDKOLTMKDRSW-NSHDSACASA-N", "SMILES:Cc1ccnc2nn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGJQXSFXJZLFZ-JTQLQIEISA-N", "SMILES:Cc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQMKTHGILPMTIM-JTQLQIEISA-N", "SMILES:Cc1ccnc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITOIFIMSCSPAE-VHSXEESVSA-N", "SMILES:C[C@H](NC(=O)[C@@H](C)n1nc2ncccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVWQUXLOWAGAY-ZDUSSCGKSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3ccccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFZJVEPVKSYLTN-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPKIBTHWMHFALZ-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNGADQZYFFBCX-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNPNVJBXMOYOU-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKJQEVCYTPJVTO-AWEZNQCLSA-N", "SMILES:CC(C)Oc1ccc([C@H](C)NC(=O)Cn2nc3ccccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTBGWWQTPDUIBH-UHFFFAOYSA-N", "SMILES:CC(NC(=O)Cn1nc2ccccn2c1=O)c1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IULRPZWWLAZNKF-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYFLSCLFNKJKOS-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJIPWBKONOQOAZ-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc2ccccn2c1=O)NC(c1ccc(Cl)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNPAUZEOVVOTQ-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(OC(F)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRCIDXRRJDJRQ-LBPRGKRZSA-N", "SMILES:Cc1cc([C@H](C)NC(=O)Cn2nc3ccccn3c2=O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGKXKNQKQYSHJ-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDYYOMUFIFXEEZ-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3ccccn3c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHAQEBFKGWELEX-LBPRGKRZSA-N", "SMILES:Cc1cc(Cl)ccc1[C@H](C)NC(=O)Cn1nc2ccccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJBQRTYFZGSPU-VIFPVBQESA-N", "SMILES:Cc1ncc([C@H](C)NC(=O)Cn2nc3cc(Cl)ccn3c2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BATIEHMZMWTPTB-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3ccc(Br)cn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQMVOTYOQAORB-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3cc(Cl)ccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNKJBTZNJTVZRB-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3cccc(Br)n3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPSSIQXMIAXYPI-LSLKUGRBSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)C(C)n2nc3ccccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMMVOEJSORIFHU-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(OC3CN(C)C3)ccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUPLVSRNEDDDDD-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(-c3ccccc3)ccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEIATPJODRGNEO-ZDUSSCGKSA-N", "SMILES:COc1ccc2nn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULDUPSQWQZGETL-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3c(Cl)cccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOIJXAYSTPBLMF-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3c(F)cccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOWCWGOBNLHCGG-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3ccc(F)cn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQDJERBFVZOEZ-AWEZNQCLSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3ccc(C)cn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOKRRCBYKKKISL-LBPRGKRZSA-N", "SMILES:Cc1ccc2nn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHVUNPDUKVXUJI-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccc(F)cn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERZTQYIKGDCJF-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccc(F)cn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJPVIPKVRJZXDK-NSHDSACASA-N", "SMILES:COc1ccc2nn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADVTJHARCIQEO-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(Cl)ccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJZBZKACERBQNC-AWEZNQCLSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3cc(C)ccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLGGCDSSOFVOQZ-ZDUSSCGKSA-N", "SMILES:COc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQWGTRVHRZBSV-NSHDSACASA-N", "SMILES:COc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZVJBTUHDHTQA-JTQLQIEISA-N", "SMILES:COc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLAMZLQRXNGJMO-NSHDSACASA-N", "SMILES:Cc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUGGPOJAOHPBA-LBPRGKRZSA-N", "SMILES:Cc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKEJLMMSKVLPHN-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(I)ccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPSZSSMGOOQEU-NSHDSACASA-N", "SMILES:COc1cccc2nn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQGCXDJOBWYMU-NSHDSACASA-N", "SMILES:COc1cccc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRCJAOTWDJAGBH-ZDUSSCGKSA-N", "SMILES:COc1cccc2nn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MREMNGHSERFKRN-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3cccc(F)n3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSUOGBAINUNHA-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc2ccc(F)cn2c1=O)NC1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFVIVIVBFKRVMH-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccc(F)cn2c1=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRQVUYUOHKCIFR-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccc(F)cn2c1=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELDXSNGLIPSCC-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(Cl)ccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBBIVOUGEHMNJH-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccc(C#N)cn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHIOAISORKWJGR-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(C#N)ccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDHDPKGASOZQFA-NSHDSACASA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3ccc(F)cn3c2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGUSDREOVKTCI-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccc(N3CC(O)C3)n2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEISLNWYRZKOPZ-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccc(N3CCN(C)CC3)n2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQAFSSYEUQZMD-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccc(N3CCNCC3)n2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZNYDHALWZBZRW-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccc(N3CCCCC3)n2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIACAWMEALFJHB-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccc(N3CCN(C)CC3)n2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBRIYNFFZPIDGP-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccc(N3CCOCC3)n2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWOCUFOQZBORP-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cccc(N3CC(F)(F)C3)n2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIFSOXJNKMMPPT-KZUDCZAMSA-N", "SMILES:CC1COCCN1c1cccc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEHMSSTZPPARW-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(N3CCCCC3)ccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWHHKKEZGPWSE-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(N3CCOCC3)ccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODCLSKIDUGQAKZ-HNNXBMFYSA-N", "SMILES:COC1CCN(c2ccn3c(=O)n(CC(=O)N[C@@H](C)c4ccc(OC(F)(F)F)cc4)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKMDSYENNGYGH-WMLDXEAASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(N3CCC[C@@H](O)C3)ccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKMDSYENNGYGH-YOEHRIQHSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(N3CCC[C@H](O)C3)ccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMLNAAUBSQVNK-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(NC3COC3)ccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHNMVHPNPUABP-VUWPPUDQSA-N", "SMILES:CC(C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)n1nc2ccccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWJTXWXHGOUFM-ZDUSSCGKSA-N", "SMILES:CNc1cccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACPLEKIVOXSKAG-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3c(N)cccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LITJRACOOWHJNL-HNNXBMFYSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3c(NC(=O)OC(C)(C)C)cccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LETXEVYKOCKAMK-ZDUSSCGKSA-N", "SMILES:COc1cccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVEAZGQQVAVKTJ-ZDUSSCGKSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3c(NCC(F)F)cccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTFTVXGKMYSGAV-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(OC3COC3)ccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFIZYNDMXQXCQ-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(N3CCC(O)CC3)ccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDAOTIQUNYRTTF-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(N3CCOCC3)cccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIJCBXDHOVWCKS-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(N3CCC34CNC4)cccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGJOBKWNEUVOKP-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(N3CCC34CN(C)C4)cccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQEQNYORCHJTHH-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc2cccnn2c1=O)NC1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAJRHZBLOSVJEC-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc2cccnn2c1=O)NC1(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVVLMSYWXDFQD-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(OC3CNC3)nccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFJKIKQBHQQMT-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nc2c(OC3CN(C)C3)nccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGATUEIQPFMYMA-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ncccn2c1=O)c1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVWQUXLOWAGAY-CYBMUJFWSA-N", "SMILES:Cc1ccc([C@@H](C)NC(=O)Cn2nc3ccccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYFLSCLFNKJKOS-SNVBAGLBSA-N", "SMILES:C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4739909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXIQPHPNBUZRQK-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1cncc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGMOXONVYAGAP-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1cnc(C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNUBLKCSXWIGQZ-UHFFFAOYSA-N", "SMILES:CC(NC(=O)Cn1nc2ccccn2c1=O)c1ncc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMEVRETXSIXYJP-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc2ccc(F)cn2c1=O)NC1(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJFBRDKEMAGSW-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)Cn1nc2cc(N3CCN(C)CC3)ccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGCSQUEFNAVEX-MYJWUSKBSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3c(C4CCNC4)cccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYIDPUSUFBHOJP-ATNAJCNCSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nc3c(C4CCN(C)C4)cccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAXTCQOAJVCSA-HNNXBMFYSA-N", "SMILES:COc1ccn2c(=O)n(CC(=O)N[C@@H](C)c3c(C)cc(C)cc3C)nc2c1"]}
{"name": "Probable G-protein coupled receptor 139", "xref": ["CHEMBL.TARGET:CHEMBL4888453"], "id": "UniProtKB:P0C0W8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGQWWSFDAAEOAA-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1C(=O)Nc1cccnc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPPKRPFKLQBHB-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1C(=O)Nc1cncc(-c2cccc(F)c2)c1)c1cncc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIHJYTJDXMDKNU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(OCCN3CCCC3)nc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBMYOISONSWIP-UHFFFAOYSA-N", "SMILES:COc1cncc(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(CN(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHAWIVOWZMTGRI-UHFFFAOYSA-N", "SMILES:COc1cncc(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(OCCN3CCCC3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMEZLHUCWOJFNZ-UHFFFAOYSA-N", "SMILES:COc1cncc(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(N3CCC(F)(F)C3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHBONJDHKAVIJZ-UHFFFAOYSA-N", "SMILES:COc1cncc(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(N3CCNCC3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSVQSCQCYYUNI-UHFFFAOYSA-N", "SMILES:COc1cncc(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc3c(c2)CCNC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQJAFZHCCAXZFT-UHFFFAOYSA-N", "SMILES:COc1cncc(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc3c(c2)CCN(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXILMKSTKWCDIJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MREVZRUQXAQANR-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1C(=O)Nc1ccc(N2CCCC2)nc1)c1cncc(OC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHSLNROXYOMVCC-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1C(=O)Nc1ccc(N2CCC(F)(F)C2)nc1)c1cncc(OC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKFHPYRECIPMDD-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1C(=O)Nc1ccc(N2CCCCC2)nc1)c1cncc(OC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVNTYHVMHCXBO-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1C(=O)Nc1cncc(-c2cccc(F)c2)c1)c1cncc(OC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFVNFAPOSQWMS-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]nc1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMHCFKQEAOGLDX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)Nc1c[nH]nc1C(=O)Nc1ccc(C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKMMTNMHQKWJS-VMPITWQZSA-N", "SMILES:O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]cc1/C=C/c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVCMXKYNAPZSD-DHZHZOJOSA-N", "SMILES:Cc1[nH]nc(C(=O)Nc2ccc(CN3CCCC3)cc2)c1/C=C/c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKZZDBIDVOVVEC-AATRIKPKSA-N", "SMILES:O=C(Nc1ccc(OCCN2CCCC2)cc1)c1n[nH]cc1/C=C/c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXZKAHSIXMHDO-ONEGZZNKSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)nc1)c1n[nH]cc1/C=C/c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFHFKZKNZMYUGE-SNAWJCMRSA-N", "SMILES:CN1CCC(Oc2ccc(NC(=O)c3n[nH]cc3/C=C/c3cccnc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKOQWYMWQARYOD-FNORWQNLSA-N", "SMILES:Cc1[nH]nc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1/C=C/c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBJGTXNQQQUKH-ONEGZZNKSA-N", "SMILES:Fc1ccc(-c2nnc(-c3n[nH]cc3/C=C/c3cccnc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORSYGZWQRVHOS-AATRIKPKSA-N", "SMILES:COc1ccc(NC(=O)c2n[nH]cc2/C=C/c2cncc(CN3CCCCC3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGDJFFHLOIVSB-NSCUHMNNSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]cc4/C=C/c4cncc(F)c4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZQFSRXTGQPRNG-MDZDMXLPSA-N", "SMILES:Fc1cccc(-c2cccc3[nH]c(-c4n[nH]cc4/C=C/c4cncc(CN5CCCC5)c4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PORXEPVUXLGPLM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCC(F)(F)C2)nc1)c1n[nH]cc1C#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZFWDKXOKJUHIK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OCCN2CCCC2)nc1)c1n[nH]cc1C#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYZWCWCUINYNJQ-UHFFFAOYSA-N", "SMILES:COc1cncc(C#Cc2c[nH]nc2C(=O)Nc2ccc(N3CCNCC3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNNWLACMXRHHM-UHFFFAOYSA-N", "SMILES:COc1cncc(C#Cc2c[nH]nc2C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSDOLRJUPLZNY-UHFFFAOYSA-N", "SMILES:COc1cncc(C#Cc2c[nH]nc2C(=O)Nc2ccc(OCCN3CCCC3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIEJMEZTEAUUIQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1n[nH]cc1C#Cc1cncc(OC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVRKXCLGPUNFPE-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cncc3[nH]c(-c4n[nH]cc4C#Cc4cncc(OC5CCNCC5)c4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1967887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYTFPHRVOZXPGZ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(OCCN)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVLDGIHQNWBDIR-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(N4CC(C)(N)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPGYPCLKHIMYPQ-UHFFFAOYSA-N", "SMILES:CCC1(N)CN(c2cncc(-c3ccc4[nH]nc(C)c4c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFNPZIHAKBWOMC-ZDUSSCGKSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(N4CCC[C@H](N)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWNGIOZXEPPEBU-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(N4CCC(O)CC4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZYSEAMWBHHON-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(F)c(-c3cncc(CN4CCCCC4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGVADESTEPMAKI-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(NC4CCNCC4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMKSVPRXKBOHO-ZFWWWQNUSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(N[C@H]4CCNC[C@@H]4F)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICAXEGHQEDAHIQ-HDJSIYSDSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(N[C@H]4CC[C@H](O)CC4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTCIBTAIOFZTOM-BBRMVZONSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(O[C@H]4CCNC[C@@H]4F)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTCIBTAIOFZTOM-CJNGLKHVSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(O[C@H]4CCNC[C@H]4F)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWFVGOTHAJRLW-BBRMVZONSA-N", "SMILES:Cc1n[nH]c2cc(F)c(-c3cncc(O[C@H]4CCNC[C@@H]4F)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZISKWUPNETZBPR-HNNXBMFYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(O[C@H]4CCNCC4(F)F)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIXNXHKBYXIPG-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(NCC4(F)CNC4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXHDPTXKMJCIQC-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(OCC4(F)CNC4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFMDTXEQGTCLR-SFHVURJKSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]4Cc5ccccc5CN4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSFPPXGUNQBSGQ-KRWDZBQOSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(N[C@H](CO)Cc4cccc(C(F)(F)F)c4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPZOJFTOUSWQP-QGZVFWFLSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(OC[C@H](N)Cc4ccccc4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDHOWXKVMOCCOA-QGZVFWFLSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cc(OC[C@H](N)Cc4ccccc4)cnn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKVOBHXHPOWLRJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWJTXCUUTIPNOQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(NC(=O)C6CC6)c5)cc34)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCQVKLHKYYCHL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(NC(=O)N4CCOCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTAVRINAOUYGSM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(NC(=O)c6c(F)cccc6F)c5)cc34)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LALDSUXUZYVCSO-UHFFFAOYSA-N", "SMILES:CC(C)OCCCNC(=O)c1n[nH]c2ccc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUJCJYXCJZCTGK-XLIONFOSSA-N", "SMILES:O=C(N[C@H]1C[C@@H]1c1ccccc1)c1n[nH]c2ccc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQJJIZZIAFVMK-UHFFFAOYSA-N", "SMILES:Cc1cc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2cc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDMSDNMTTKWFNB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1n[nH]c2ncc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONKHKERFMSOGOO-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3n[nH]c4ccc(-c5cccnc5)cc34)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVYMDNOFPKQGNS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPMHGTVEACENT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnnc1)c1n[nH]c2ccc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBIHOHIPUMYSPB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cccnc3F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRICLOVIEQDLKH-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5ccc(N)nc5)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTWACOOHZYGQU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CO)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYXCQMNUAOYSF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZRNLJNOSVICSR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CC(CO)(CO)C4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDLQDPHFFLJKV-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSDXFRJIMIWMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHMCMYNTRDDSMY-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEGYHVAUPWTKCC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTCMONXKIUJLND-UHFFFAOYSA-N", "SMILES:NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWPTZVMBSFOJFR-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRPXEKYAMSRCMG-BVAGGSTKSA-N", "SMILES:O=C(N[C@H]1C[C@@H]1c1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGXACIDLZGUBTN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(F)cc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVEOEVJLUUUHNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXXQBRPVXEVJX-UHFFFAOYSA-N", "SMILES:Cc1cncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFCGCLZYGBXDNP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPWZFPXWFTXNT-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWXGMMPJHDIFKI-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRKXYICQDHOPTH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(CO)CO)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFAOODZJXVDRK-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QALWCXJXRVPKFL-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBLWFYPWSQYDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDGITCXOHBVIFI-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHZSOUUPALNKM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRGSLJOLUQEIJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTDUMLRNYRIGDR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CC(CO)(CO)C2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSPWTPOQIWRHX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGHZLAJQJKGHH-OYRHEFFESA-N", "SMILES:C[C@@H]1CN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)cn2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOYNLJXRFELEM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBGXNNPWIMLPPX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnnc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUGBPGFMVOHCS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccn1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LENRDGRRDOMHBO-UHFFFAOYSA-N", "SMILES:Nc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXVOXQMQIUENM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLUJPDZZXTUOGS-UHFFFAOYSA-N", "SMILES:CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5cccnc5)c4c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUJDVMSVNQUBP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccn1)c1n[nH]c2ccc(-c3cncc(CN4CCCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCQXJYDHWQOCO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CCS(=O)(=O)CC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZBCOWYOKDHMCB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CC5CC(C4)O5)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMDVYFVQFYWFE-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CC6CC(C5)O6)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKCUUMKUMMGHNR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cncnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLYUGMSKMJLMF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cnccn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXAQGXXEXJQJID-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1n[nH]c2ccc(-c3cncc(NC4CCNCC4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWBYCBUTPEWFQ-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(NC(=O)c3n[nH]c4ccc(-c5cnn(C)c5)cc34)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPENABQDALBNCS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(C(=O)Nc4ccc(CN5CCCC5)cc4)n[nH]c3cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBPHUHXCYJECEF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(C(=O)Nc4ccc(OCCN5CCCC5)cc4)n[nH]c3cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHKYABQNOFEKV-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTCOOURUGUCVRR-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFBBMYEQZMMIW-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ncc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUUPLRVZLJSMPG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(C(=O)Nc4ccc5c(c4)CNC5)n[nH]c3cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOVMYCSVDGDWRK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cnn(C4CC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZLRPYNIXCSEQZ-UHFFFAOYSA-N", "SMILES:Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cnn(C5CCN(C)CC5)c4)cc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QATFVFAMADWCBK-UHFFFAOYSA-N", "SMILES:Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cnc(C)n4C)cc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLVFVEFLMSSDNK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccc(-c3cnc4n3CCNC4)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYVIYYUPMDMHRV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)c3c2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGQRJCMNZBKAK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1n[nH]c2cnc(-c3cncc(CN4CCCCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYAYDDOFEZDCIM-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ncc(-c6cccnc6)cc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOOFEUPFWKVTMW-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVBPJKOTWQUSZ-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMIHUSTZHQDCPQ-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCVTILXSHNLQK-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVOFBPOOGPTTFG-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIIPQLXWGLFWDM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKYPGODFZYXRMS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIPCKHYRBAORDK-UHFFFAOYSA-N", "SMILES:O=C(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4nc5c(-c6cccc(F)c6)ccnc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNHCUQBZWIOGL-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWNRCBOVGSLIQ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLHLTJBMDYFGJM-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMEQEXAKKJQWLQ-UHFFFAOYSA-N", "SMILES:CN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWTXUNLMCGVMH-UHFFFAOYSA-N", "SMILES:CN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOYAUDFJKAKURL-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVOBHXMCMXHCPK-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cc3c(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCYRGBKUKXINQ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBBUGSYNPXTSGW-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLWWCPMUZAVBJZ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIYYMOKJYCWIDW-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITCDKDTYPIZKE-UHFFFAOYSA-N", "SMILES:CCN(C)Cc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOYHIBJSTHZNKS-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKNSBZOTFOXLBF-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZXOXNSMVCRHKP-UHFFFAOYSA-N", "SMILES:Oc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRIZJARXYJOLN-UHFFFAOYSA-N", "SMILES:Oc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZADWYQQTLUNDSU-UHFFFAOYSA-N", "SMILES:Oc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVYPTMSZFZTIL-UHFFFAOYSA-N", "SMILES:Oc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIKAVXLXOJTJCA-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2cc3c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOKAKYIVUFYCV-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMLOHXZHVENHK-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCLSDJAFIFUBG-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLMGJESKXNDIDA-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPKDRRRKMXDNP-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVALWWJIGLEHJA-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2ccnc3[nH]c(-c4n[nH]c5ncc(-c6cn[nH]c6)cc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRSPEGXCIOODJW-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWFRAFAZFATDK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBFKCAJJJECHP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)n[nH]c3cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMZARAMVCEPLW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)n[nH]c3cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMYKXZTSOCFDR-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)c3n2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUCZZGUADADTK-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKSHRCNLHWKGMH-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCWVVCAJRJUKG-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDCFUAOTTJAXJO-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSOXYPMAAISQF-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEIJGFFOHXLJMT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)cncc5[nH]4)c3c2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMNQBKKASLAPY-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJULNKTYRVNNNY-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSWZRKILJFYIRW-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHLBUMVBMHGEEJ-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPFVQPKLUIDQPQ-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQBOMUCDOJYIX-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCXDKBKWZRDPO-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDLZZMQDUZSTPT-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCSVCHFQWPJARJ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSOGBZSEGOUSD-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWTUZMSWTYMTIJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3n2)c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSVPXGXBCNRHSS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)ccnc5[nH]4)c3n2)c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWVQXMIVLZQJG-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVCNJKTZYHCST-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYJVFAZEJOBPMN-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cc3c(-c4nc5c(-c6cccnc6)cccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBGXGJWHWAKYJU-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGSOEWEERTHFA-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFXAAEPSZGZEMT-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cc3c(-c4nc5c(-c6cccnc6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVYIRNKABAOVAB-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCDYGCYQBDFNAY-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIHYGBILEZJTOJ-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HULMMJVTYCFFQZ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKAKTCHSBGVGP-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBCAGLSOSPGGA-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQCDYCDOQRRPM-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRBYLQXRPTZEBJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEQGZFUCBLZBIB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKSGPMRKMOXMLQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZQJFAHHMMDZJP-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGBIUCKHXCQQH-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBUYIJEDQSTLV-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVVIVDKAJUKQCG-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKPNAGVNBXHHR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)ccnc5[nH]4)c3n2)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNPFDZDYOVFIRM-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWRRGHCIIWHSGO-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cc3c(-c4nc5ccccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTOBSYNSSPINH-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4nc5cnccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMCUWCAUBUKQQR-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSJYWRIUIAJBL-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFQWRZCMQYENNR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccncc5[nH]4)c3c2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSUVLQKGIFZRL-UHFFFAOYSA-N", "SMILES:NC1CN(c2cncc(-c3ccc4[nH]nc(-c5nc6ccncc6[nH]5)c4c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPJCUPRDGWEBZ-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDAKGBQDCZVDKR-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORIIIHOHQJRNF-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKLOBIPRXZFGK-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLNKJVHWGSQBGB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNQXCXVGFXSXJG-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5nc6c(N7CCCCC7)cncc6[nH]5)c4c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBQBRSCJCHBQL-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3cc4c(-c5nc6c(N7CCCCC7)cncc6[nH]5)n[nH]c4cn3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMADODFFOCZEGO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXYGAMIVBAJNPH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)nc45)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLRZRTTYTOVFAF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)nc45)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXSGBAKLPUIEES-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)nc45)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRSPGCQYFZYGQ-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)cccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFBVJMPKITMEO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N7CCOCC7)c6)cc45)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTBIPAVELUBUAA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cnn(C)c6)cc45)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFTJBHAIKDDJQD-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCOCC6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMHSBYXYMABFQ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C(C)(C)C)c6)nc45)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFKZNOLMBFWUGE-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C(C)(C)C)c6)nc45)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCACNFRSMHJOQ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C(C)(C)C)c6)nc45)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEVYCHVIMTLKF-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHAMCCQIDQBCO-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKGWKGJYSWAFL-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)C)c6)nc45)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLSKPEIDLLWXSL-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)nc45)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTWLHJWVYRQDY-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)nc45)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPRGKSWXNXPPAF-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUSMKINTRGCKDU-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUCBUARSHFVSKP-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLUQGOKHLNORTQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDJDCWZCPATNIZ-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccoc6)cccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISOMEZJZLSHPQV-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOGOBDGQIBPAQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSPQAZNHBUHPJ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMADAJQMWVYJY-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXOBYQAUHCFICA-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRPHHQGFJBQZAP-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKFIYWPORERRS-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEAMLXARIWGLNQ-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3cnc4[nH]nc(-c5nc6c(-c7ccoc7)nccc6[nH]5)c4c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REBPTRGIAWUBRY-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)nccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALSFAPEWBGFBK-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUHFTXFFVARDU-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJGJMXOMVDJNP-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLZNWZSLJFESFA-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBXODPIOCPWDU-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHOVLLIVDJBEH-UHFFFAOYSA-N", "SMILES:O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHCUICEDODVGX-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIAUMPXETGHRRI-UHFFFAOYSA-N", "SMILES:c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSHIQRGHVNNJV-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GERZDRLGIIFSHI-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPJESIWJNAQAN-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccsc7)cncc6[nH]5)c4c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXZXAVYRNORZOB-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccs6)cccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCRPFARXFTGJS-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACPPFOWZUFBTAU-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYTFXBCBOPJOIW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6cccs6)nccc5[nH]4)n[nH]c3cn2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAAXKOPXFTUZOP-UHFFFAOYSA-N", "SMILES:CN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVOUQWHSSDLVNZ-UHFFFAOYSA-N", "SMILES:c1csc(-c2cncc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTLVRGXNHAGGA-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXJWLJHYMWNOU-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFVKEYYIJWSLCG-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)s6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMYRBAELOETSV-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZWMAATXAEAIE-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCC7)c6)cc45)nc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVARZDRDOQDRTC-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBGCRNMYFVJMH-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYGFNHTEDSAND-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)nccc5[nH]4)c3n2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLKLEVSPKFMPAX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cncc5[nH]4)c3n2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYVQNADGKXDNNH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)ccnc5[nH]4)c3n2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWICIIRTUXNSE-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)nc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCZAAEVDWJTTHB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)nc45)nc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAFJBCMRPSYOK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)cc45)nc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARBEIKXORZSIM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(N)c6)cc45)nc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIXUXLNOWTXWFY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(N)c6)cc45)nc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRPJJQULPJNVGP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)nc45)nc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZGXIIIMIQQHX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)nc45)nc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZFXVYVCALQDMM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CCC7)c6)cc45)nc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYKHRCDYACKTE-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ncc(-c6cccnc6)cc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKSOZDVEGSDHP-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTXBZGRRKQJRB-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKPVPGJJADJOU-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLNXHNCAPATTE-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZFSMUBQUPPDK-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPHQDQVOFAGGDK-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMVDBOHOMBUNEU-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSOVVHDJCHJRR-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVHKAAUEWHQSB-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)ccnc5[nH]4)c3n2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJJXVKBJKGVSKP-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cc2c(-c3nc4c(-c5cc(F)cc(CNS(C)(=O)=O)c5)cccc4[nH]3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVYCQCDDPCRJJ-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cnc2[nH]nc(-c3nc4c(-c5cc(F)cc(CNS(C)(=O)=O)c5)nccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWIKUQHHJLOJA-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cc2c(-c3nc4c(-c5cc(F)cc(CNS(C)(=O)=O)c5)cncc4[nH]3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMZNOYYSOPNIAQ-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cc2c(-c3nc4c(-c5cc(F)cc(CNS(C)(=O)=O)c5)ccnc4[nH]3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOCLBUOISXGFS-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGKPCFGGUUGNY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIUJZNMOHHZLE-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cc(F)cc(N7CCOCC7)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNUGKKGBCGYCOH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)nc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDCQQISBRFLGK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)nc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVGOSHRJQTUKMZ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)nc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPGBPPAYABZBD-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6cc(F)cc(OCCN7CCCC7)c6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBZDEFCXGDRXGR-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIALWFSZDXUBCM-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ncc(-c6cccnc6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDIFHMFBSHWIB-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)nc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCPCUUPIJJMAO-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZVZLBPNQLVJX-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGYUQYFWANAHP-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODWUBNQDBLYET-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYZPWIZNMXROSO-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTRIVKUGGVLGU-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccc(F)c6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJLSVPKDQYFPRZ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOJMTVYPAPUJL-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXNTALRSOUHRW-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIIVHSSRABZYBQ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cc3c(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDFDGGUWRJURI-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHUWZNKYYDOFGV-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAGNKDOKCTELT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5[nH]4)n[nH]c3cn2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUKUYKASAFKELR-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJHDQTBUNAXSLU-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEXXFKVQHZEWOF-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPPIZGJFDCYEK-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVIPHGMQGQYFB-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ncc(-c6cncnc6)cc45)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENCLZFGVOJETJ-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMDOQBXCRVCIB-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCWGJOKZUMDVKO-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOCPOGYVUZBLT-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cc3c(-c4cc5c(-c6ccccc6F)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUGJFFSRKFVCY-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cc3c(-c4cc5c(-c6ccccc6F)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIPCYTRMIFAFGO-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cc3c(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRTWKVILAVILBV-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZLSOYRIRVGRQW-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccccc6F)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKGVTULPZJHCM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJMULPMURRDTSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZERTDSJDNFARZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)nccc5[nH]4)c3n2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSPOGHKPCDFAJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGKOSYHFXSNRLJ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQTUIWILOQDKF-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRGNYZQDBQIUFU-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCRFDIRUPFSENE-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2cc3c(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFLKOHXZUYAESL-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTEIVYLKMCIANK-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGKKKTWVMQQSA-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4cnc(-c5cncc(CN6CCCC6)c5)cc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEQYRHNUHDRIIG-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1cncc2[nH]c(-c3n[nH]c4ncc(-c5cn[nH]c5)cc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKZIPAJKBCDTDE-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAPXPHCKFPLRDU-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUXUYJLYNSIDG-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVPOWVFTMZKTP-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTVKKTPKHOXWRV-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRPPXEXCBQZNPL-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cnc2[nH]nc(-c3cc4c(-c5cccnc5)cncc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIFPQJHJVDJAGG-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cccnc5)cncc4[nH]3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADKUCIXIPQQBS-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDMTWOMJZZFQS-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFACIWSXGBHHOU-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNPYPIDENRTAK-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)cccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKQDQCIUZWGVLL-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)ccnc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOCZYTVGLGCEA-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPLKKFXNSVBSU-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPDLVKYVOOZOC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)cccc5[nH]4)n[nH]c3cn2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDQFUSNJNXLDU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWUKSHABYDIOO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOEMZMZEYGWVNI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)nccc5[nH]4)c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVPSJKNOBRXJG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVGYLTDBERXWRD-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTYUJGXBZQXPLV-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLSPAQZBGILSJQ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGJRLHZYPDRAG-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQCABAXPPDZEI-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)ccnc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRXKCWONYRNSEP-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFRJYPXRKKHGW-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNJXHXOXILKJJ-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBUVQPQPZZXCLA-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDPPIYUJNRWCB-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOOTJPUMAQZFO-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCC7)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDHMITYEMCUQL-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccnc7)ccnc6[nH]5)c4c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSJOXHXTPXYUGS-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccnc7)cncc6[nH]5)c4n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBDNEBUSBYBHZ-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccnc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLXPGDJMOZWRS-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cncc3[nH]c(-c4n[nH]c5ncc(-c6cncnc6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBJHENIXZYGFT-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncnc6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMZHTBQESTVCO-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKEFZSJXQGWGLN-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5ccncc5)ccnc4[nH]3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHNXUSOSHCQKGM-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMOBIKYMUWBQW-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKVHBRAAOXVGZ-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDLUQFJGQMOIX-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIINVSMSRSFQES-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDVKUPYFJOJSP-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSJVJAKPIGRETQ-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMFAOXVKNQPFOR-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQHZKHCMDXEHT-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTCVIGMRAGUJV-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJPOIPQWLYJRHG-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXJUMVFCPBBEX-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUEFCZQBCLCHHX-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVIFZDLPAJYXGL-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJLADMGJAZTAK-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTNIFFYPJZERGE-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLAZKIHWROTRW-UHFFFAOYSA-N", "SMILES:O=C(CC1CCNCC1)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLNBTZUNDQNZHN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNWBRVLEFLRNU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQUMSRDVDNOWDG-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)nc45)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVRXEYYQPAKCK-UHFFFAOYSA-N", "SMILES:CN(C)c1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDPNBJFFJBHJHE-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTNGOVQJDEXAZ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDLGRZOMYLAQI-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)ccnc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTXQPFSEIMDRP-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3cnc4[nH]nc(-c5cc6c(-c7ccncc7)cccc6[nH]5)c4c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNJPAIAMCWXMQ-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3cnc4[nH]nc(-c5cc6c(-c7ccncc7)cncc6[nH]5)c4c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBCOZSNVEGAFCS-UHFFFAOYSA-N", "SMILES:c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETZXNLAFJMSGX-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)nc45)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDSFSLHKSWTIFL-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCEMKMVDXGQGJI-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cnc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRPKFERVSRFDKK-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUBTGPRDYGABL-UHFFFAOYSA-N", "SMILES:O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)cccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZZYRGCQGLYBDZ-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccccn7)cccc6[nH]5)c4n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKMVYJBWZFVOES-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJGMFYJPDCQDL-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cnc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQVDMYZDIWCEU-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDWPEOZTOKJNQO-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cc3c(-c4cc5cccnc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVRNJIMNIKIAU-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDHPNHEIRYYCW-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccc2[nH]nc(-c3cc4ccncc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXENVOFKRVTDHY-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cc2c(-c3cc4cnccc4[nH]3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYGXIMSCFFBZOF-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQGWDVDTGPQLT-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQATVSYXOCRLAH-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNKUGINXPNXDG-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNUNELOLAFKENR-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYUPKJJCGPDFA-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXCBRBXVWCRZHO-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5cccnc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAXOQQJRXNFSDF-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUXTJXMIALOMI-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCQJVNYQIBWFY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEBZXVIMZTANW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cc3c(-c4cc5cccnc5[nH]4)n[nH]c3cn2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWCXRPHWADERKC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQVNERCUZRJKOQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHLWTDOQNXFPD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5ccncc5[nH]4)c3n2)c1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDUXQMOXBKBCE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOURDPARWUPIHI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEILVBBRNIFRDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXSGRMYAOVMFNB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMZBBNHFHMBAN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBARBOQEJYQMP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKYQBNXVASNZOF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIFDVXGPKBFPQ-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URHQFIKNWRKBRG-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELXIXKEVRFUFX-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZIGXBASPDPSX-UHFFFAOYSA-N", "SMILES:CN(C)c1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGYULKXTYDSAQ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZFAFIKFUMCGR-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPDUJLOYISXLW-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(-c3n[nH]c4ncc(-c5cncc(CN6CCCC6)c5)cc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTQLBFRFIMMPV-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3cc4c(-c5cc6cccnc6[nH]5)n[nH]c4cn3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUTNENZRJYKUCC-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6cnccc6[nH]5)c4n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWXWDROUNEVKW-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6cccnc6[nH]5)c4n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHWWHYJAOGNHI-UHFFFAOYSA-N", "SMILES:c1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOYVJMDHJQCDQ-UHFFFAOYSA-N", "SMILES:c1cnc2cc(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNBNDOFWCOULH-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDIVEHHFZIBIDN-UHFFFAOYSA-N", "SMILES:c1cc2[nH]c(-c3n[nH]c4ncc(-c5cncc(CN6CCCCC6)c5)cc34)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGLSAMSKAFDQZ-UHFFFAOYSA-N", "SMILES:c1cc2cc(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)cc34)[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSKMZAUMSFOYGI-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)cc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHNMGPSJHCVDJD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYGJHVHCFDSDHV-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOIMHSJSGHDFJ-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cc3c(-c4cc5c(N6CCCCC6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJUIDXOJFLVRZ-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXAMZICEFFXTHX-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHZZFKIHIVBDBD-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHNYDRUUZDFZPI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTIYCBDXXSEQE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cc3c(-c4cc5c(N6CCCCC6)nccc5[nH]4)n[nH]c3cn2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKCIBDLKBFELS-UHFFFAOYSA-N", "SMILES:O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYYFBEQYSRAGGH-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZEBCEBMVICPOP-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXKDNTIIMDTBJP-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXFEEKGZPUHDK-UHFFFAOYSA-N", "SMILES:c1ncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cncc5[nH]4)c3c2)cc1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYKYCRVQSMRZHT-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(N7CCCCC7)cccc6[nH]5)c4c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKPFBOWVLVTCHT-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(N7CCCCC7)ccnc6[nH]5)c4n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZEFDGCWRNKUHS-UHFFFAOYSA-N", "SMILES:c1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)cc2c(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYAWJTGMKQBLIW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZBVMPQHGMXCZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLAZQGYOISTIDT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(N)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSAHMIDSPOLALX-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(N6CCN(C)CC6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNUIIPIDBBNPM-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(N6CCN(C)CC6)cccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHXPUVQLFTSTI-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCN(C)CC6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMYUJCGKRHDRS-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(N6CCN(C)CC6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDBUKEWYLXUJGW-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCN(C)CC6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZIQPXKHUMUTE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C(C)(C)C)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMFWQYXHULLJI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)(C)C)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATNVPHIMYUYMR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)(C)C)c6)nc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDZDGFWQICMKM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(NC(=O)C7CCCC7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAMQHWRJXLPRF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUAISHIWOQUSGC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CCCCC7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULNHRRGQQQAGZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCNCC7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZGZVUEQRSMAB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCNCC7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHSCPSHZUHITAL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMKTKKILJNYEU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAHJKORHPROBCB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)c7ccccc7)c6)nc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTSJQHYOHZSAR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CNCC7CCCC7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBPCLTZOCPHFN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYNXBHBXUQLGQ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cncc(-c2cc3c(-c4cc5c(N6CCN(C)CC6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKPQSSPVMWMOKG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWIFOWDOKHGQE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVOPVVPIJCRQQC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBXTUYWMQOBPU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIHAVYQXHOYGFX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVDIFGPTNZXGTI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccnc3[nH]c(-c4n[nH]c5ncc(-c6cn[nH]c6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMKWRMFRFSNNT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCYPDQFYQCAAT-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIAACXXEQHBWQD-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLOPBYVWEXEJKQ-UHFFFAOYSA-N", "SMILES:O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYOZYJFRGOVSY-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccoc2)c2cc(-c3n[nH]c4ccc(-c5cncc(CNCC6CCCC6)c5)nc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTGFFLVTSLMQJV-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3cnc4[nH]nc(-c5cc6c(-c7ccoc7)cccc6[nH]5)c4c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRBQYMNBGVDPHJ-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBPMISKIYNXORC-UHFFFAOYSA-N", "SMILES:c1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTSIWTVFIHGEOP-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccs6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWVHIATXUNZAG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cccs6)nccc5[nH]4)c3c2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFLAGHWOMULLN-UHFFFAOYSA-N", "SMILES:c1ccc(CNCc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccs7)cncc6[nH]5)c4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMZAOORXOPJEZ-UHFFFAOYSA-N", "SMILES:c1csc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTOYMPNIOUQFPP-UHFFFAOYSA-N", "SMILES:c1csc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)nc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHMTHRBBHBHBS-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(N)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYAQTILUUADAF-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cc(F)cc(NCCN(C)C)c6)ccnc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQSZZKZNYSJZPR-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C(C)(C)C)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWRPKFJHWQFECV-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUHTZPRTFJVBLJ-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZOINPXQYFFWRU-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)nc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBGMUEGKTJKVLY-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJQZNEXZUWTPNG-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUYWGDIXXCTHE-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXSRFAYYZWXFS-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRLIDJUBFHSDTG-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAFJHXYPLGIPMX-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXQGISNDCSDDNK-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXKZORVZCSUSS-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)n[nH]c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYSHRLOQNZGTNI-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXRTBYHKHMNMU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CC7)c6)nc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBADPPJESRBFD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWWJFQLPLMAQO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAHBHZJIAGSEI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOQNQTFJRJTHLB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)Cc7ccccc7)c6)nc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHVGARABDBINAN-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYCIRBNTFVOBFT-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKIDVPQWCHDEMP-UHFFFAOYSA-N", "SMILES:CCNCc1cncc(-c2cnc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTIODVVVUQVJDE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CNCC7CCCC7)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXJCQGIQLXORPE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMWOKTUHFMSHRQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIMLVOCSMYXZFD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4765107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKSQRARHYLTKH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)nc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHIIIYZVNENLN-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cc2cc(-c3cnn(C)c3)ccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXDKVRMDDQMXJY-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBNFKZGJDCMND-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRVQNFPJLDWCL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXVXRKMYWIBEFX-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQLZQMNWBHHOMO-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cc(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784318", "category": ["biolink:ChemicalEntity"], "name": "CIRTUVIVINT", "xref": ["InChIKey:BQWWOBKMDWACGC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1"], "synonym": ["Cirtuvivint"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYOONDKQDDKZSA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)c(F)cc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLORJMDXUUCDSI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)Nc3cc4c(Cl)c(-c5cnn(C)c5)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATJIKIOHBGHJFL-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEEQVGMKQTXGGV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CC6CC5CN6)c4)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPDWXCIBYSABOS-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJYJGFHUQDZCKA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(CC(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTBDRQJSYYMFRU-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEENWSBWWBNUKY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)N3CCN(c4cc(C(=O)Nc5cc6cc(-c7cnn(C)c7)ccc6cn5)ccn4)CC3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWBTUJSENOMKN-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)CN(c1cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDSBIKKEXWKQIQ-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVYOZVFBZHIOKP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3cnc(NC(=O)c4ccnc(OC5CNC5)c4)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWHDKNIOGTDJK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)CNCC5)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUUIIFQSDQMWET-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(cnn5C)c4)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGOTVDQIVQZBF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3cnc(NC(=O)c4cnc5ccccc5c4)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJHUAOIGHXDMDP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5cnccc5c4)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKQMISPRGQPCT-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLTBQJGRPVGLKM-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)N1CCC(n2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINZQUQYOBWGPZ-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(c2nc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)co2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBQDCTDKWDPUGH-UHFFFAOYSA-N", "SMILES:CN(C)C1CN(c2ncc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KITGSDROWQMUKJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C6CC6)c5)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJBFXOACQLATB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5N)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSIIVYVVBWFFZ-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3cnc(NC(=O)c4ccc(OC(F)F)cc4)cc3c2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOIYZSNGRVMMRA-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)CN(c1cc(C(=O)Nc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)ccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKVVSGRVQMFEY-UILWBTOOSA-N", "SMILES:CO[C@H]1CC[C@H](C(=O)Nc2cc3cc(-c4cnn(C)c4CN4CCCCC4)ccc3cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFXZSFRQUZCOKK-MXVIHJGJSA-N", "SMILES:Cn1ncc(-c2ccc3cnc(NC(=O)[C@H]4CC[C@H](CO)CC4)cc3c2)c1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQQQNQDIZDSYPM-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3cnc(NC(=O)C4CCN(C(=O)c5ccccc5)CC4)cc3c2)c1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXSODQSDAXBEHN-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3cnc(NC(=O)c4cccc(CN5CCCC5)c4)cc3c2)c1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJKXYPQNZYLQN-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCOCC5)c4)cc3c2)c1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STICUCOHVSOTLM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3cnn4c3CCNC4)ccc2cn1)c1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGVCVMQMWOAEJC-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(Oc2cc(C(=O)Nc3cc4cc(-c5cnn6c5CCNC6)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQUMPNKISYUBU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3cc4cc(-c5cnn6c5CN(CCF)CC6)ccc4cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSANCNYWHBAIGR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(C(=O)Nc2cc3cc(-c4cn(C)nn4)ccc3cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZKASKVJGDNERL-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)ccc4cn3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEOKPZVQCMTZBS-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(n2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)ccc4cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSBOGNTMIHVRH-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1ccc2cnc(NC(=O)c3ccc(F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRNCMCZKKSTEC-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1ccc2cnc(NC(=O)c3ccnc(N4CC(N)C4)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMMFCWMGIQZGQW-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1ccc2cnc(NC(=O)c3ccnc(N4CCN(C5CC5)CC4)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXRGFKDUGEPKD-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(C(=O)Nc3cc4cc(-c5cncn5C)ccc4cn3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAOVCAHEQVBBEV-UHFFFAOYSA-N", "SMILES:Cc1nnc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OILVNOZMRVRMFV-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKCEAXUEAIORP-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2cc3cc(-c4cncn4C(C)C)ccc3cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBSMBPIDCBURU-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc3cnc(NC(=O)C4(F)CC4)cc3c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JABLEWAOICNLML-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc3cnc(NC(=O)c4ccc(OC(C)C)cc4)cc3c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKJVGBGYCJZKLW-UHFFFAOYSA-N", "SMILES:Cc1ncc(C(=O)Nc2cc3cc(-c4cnc(C)n4C)ccc3cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPJLBUUQOSGNF-UHFFFAOYSA-N", "SMILES:NC1CN(c2cc(C(=O)Nc3cc4cc(-c5cnco5)ccc4cn3)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLCOXKPSXJXFRP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRGOZSADKOBED-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3cncs3)ccc2cn1)c1ccc2c(c1)CNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFVLGIHADJNER-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FODAKPNZAKJZKF-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc3cnc(NC(=O)c4ccnc(C5=CCN(C)CC5)c4)cc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQUTMKPMAEVSS-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc3cnc(NC(=O)c4ccnc(N(C)C5CCN(C)CC5)c4)cc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEFQDVZLOTUPJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5ccc(N)nc5)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRJGWDLFMOEVLK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3cncc(CN4CCC(O)CC4)c3)ccc2cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGUBJYAQDABPJX-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3cnc(NC(=O)C4CCN(CCF)CC4)cc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZVGDWMIWNETNG-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cncc(-c2ccc3cnc(NC(=O)c4cccc(C5CCN(C)CC5)c4)cc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDOSSWKZQWNHP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMGHAZUHBYZHH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHCIXXSOGVQOS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3cncc(NCC4(F)CNC4)n3)ccc2cn1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUBJROZPDFWDIB-ROUUACIJSA-N", "SMILES:O=C(Nc1cc2cc(-c3cncc(N[C@H]4CCNC[C@@H]4F)n3)ccc2cn1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFPGRXUUHQLPMT-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(C(=O)Nc3cc4cc(-c5cncc6[nH]ccc56)ccc4cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRHAZVXRLFYJR-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(C(=O)Nc3cc4cc(-c5cnc6cc[nH]c6c5)ccc4cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJXPBQCBPELRL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)Nc3cc4nc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUURKRSXWVVVCJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(=O)Nc3ncc4ccc(-c5cnn(C)c5)cc4n3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KINORFJHCPXUOP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5nccnc5c4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMJYIORZOCOHW-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)N1CCC(n2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ncc4cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBGAYJLDUBVKM-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)CN(c1cc(C(=O)Nc3cc4cc(-c5cnn(C)c5CN5CCCCC5)cnc4cn3)ccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORTLLMXJDJAQFM-UHFFFAOYSA-N", "SMILES:Cc1ncc(C(=O)Nc2cc3nc(-c4cnc(C)n4C)ccc3cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHYCJGVYIARSRR-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncc(NC(C)(C)C)n5)cnc4cn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYQQVXVUFVYLAU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ncc2cn1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMDAXVRRANTBQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2cc3cc(-c4cncc(NC5CCN(C)CC5)n4)ncc3cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGCAAXSZGFCGE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3cncc(NCC4(F)CNC4)n3)ncc2cn1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMGYQPKBNJKMSR-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(C(=O)Nc3ncc4ccc(-c5cncc6[nH]ccc56)cc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSAWBXVHWNNICD-UHFFFAOYSA-N", "SMILES:CN1CCCCN(C)c2nccc3[nH]c(nc23)-c2c[nH]c3ccc(cc23)-c2cncc(c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCRKDUMNYHEUTB-UHFFFAOYSA-N", "SMILES:c1cc2cc(c1)-c1cncc3[nH]c(nc13)-c1n[nH]c3ccc(cc13)-c1cncc(c1)CNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPVASYJRWJUURU-UHFFFAOYSA-N", "SMILES:O=C1CCc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQFTBHLXJOYBZ-UHFFFAOYSA-N", "SMILES:O=C1COc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKDIRJDOTOCJHL-UHFFFAOYSA-N", "SMILES:CN1CCCn2cc(nn2)-c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTQAPFAVNTBFG-UHFFFAOYSA-N", "SMILES:O=C1CCc2cccc(c2)-c2cncc(c2)NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(c2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZPMGTUGXOCTDM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(Nc3ncc4c(-c5ccc6ncccc6c5)c[nH]c4n3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWVYONICYRLNY-UHFFFAOYSA-N", "SMILES:CNc1nc(NCc2ncccn2)c2c(-c3ccc4ncccc4c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZIRRGIBESUXBL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3cncs3)ccc2cn1)C1(F)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZRJQXLKAMXDW-UHFFFAOYSA-N", "SMILES:CN1CC2CCC(C1)N2C(=O)Nc1cc2cc(-c3cnn(C)c3)ccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKQATTXZCPXFH-UHFFFAOYSA-N", "SMILES:CN1CCC(C(=O)Nc2cc3cc(-c4cnsc4)cnc3cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4761669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSJBLVQRZBYRB-JOCQHMNTSA-N", "SMILES:O=C(Nc1cc2cc(-c3cnco3)cnc2cn1)[C@H]1CC[C@H](CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIGVCJSBWHRAE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3cnco3)cnc2cn1)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPDXUPFMBCITB-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1CCC(C(=O)Nc2cc3cc(-c4cnco4)cnc3cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGEKCQQKFHFRPT-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)nc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUIKQPWVHPFFNQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTAKNIDVRHLBRP-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)nc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGIZVWRWHHAOEK-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)nc45)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDKVLTLRFBIKSJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cccc5[nH]4)c3n2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUJDFYPQKIJMEK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)ccnc5[nH]4)c3n2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDHJETPJICMDHE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cccc5[nH]4)c3n2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCUJVRYFCOGNQ-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)ccnc5[nH]4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNPLLLTCPMMPT-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPODBKWTKAOEQS-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXXQTJPPPDLKN-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ncc(-c6ccncc6)cc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOQYMTXWNTWVBJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6cccc(F)c6)ccnc5[nH]4)n[nH]c3cn2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGXJEYUKDHAXSS-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGXJEYUKDHAXSS-HNNXBMFYSA-N", "SMILES:C=CC(=O)NCc1ccc(-c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKQKTWRESGLLK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHQEFMWJITKOK-NSCUHMNNSA-N", "SMILES:CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(-c2ccc(NC(=O)/C=C/CN3CCOCC3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSBONMBGXRFLA-NSCUHMNNSA-N", "SMILES:CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(-c2ccc(NC(=O)/C=C/CN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRWJDIBYCCYPCG-NSCUHMNNSA-N", "SMILES:CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(-c2ccc(CNC(=O)/C=C/CN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXHFDAYGWVBLU-INIZCTEOSA-N", "SMILES:C=CC(=O)NC1(c2ccc(-c3ccc([C@H](C)C(=O)Nc4cc(C5CC5)[nH]n4)cc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLYXLFRYPOCOD-BJQOMGFOSA-N", "SMILES:C=CC(=O)NC(CC)c1ccc(-c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGBKJGXXRYGKD-VYRBHSGPSA-N", "SMILES:C=CC(=O)NC(C)c1ccc(-c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBKCLUUFNNVWBJ-AWEZNQCLSA-N", "SMILES:C=CC(=O)NCc1ncc(-c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBMXKMKKFAVPBD-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXVAVWRCUJVMO-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(C(C)C(=O)Nc2cc(C3CC3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZUGQDLEWFRQOR-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(C(C)C(=O)Nc2cc(C3CC3)[nH]n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WABKYQZDZUINNJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIAQTARFHIBGJS-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSIBSVOWOZOCM-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779773", "category": ["biolink:ChemicalEntity"], "name": "ZELATRIAZIN", "xref": ["InChIKey:JZGLECLGVQRPPI-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1"], "synonym": ["Zelatriazin", "Zelatriazine", "Zelatriazina", "Tak-041", "Zelatriazin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBGXCAHBBWRNE-ZDUSSCGKSA-N", "SMILES:COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRDWWMUNNALHK-ZDUSSCGKSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MROVHIZKKLRMMY-LBPRGKRZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRVHTHJIFYTNJL-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXZGSJQRZHHQBT-AWEZNQCLSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKALVEIABNRJPU-ZDUSSCGKSA-N", "SMILES:Cc1ccccc1[C@H](C)NC(=O)Cn1nnc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWATUEVSJUJDCD-ZDUSSCGKSA-N", "SMILES:CCOc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJQFFAMTFHKEGM-LBPRGKRZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYJKKFHJPFYDJN-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVQDOAWGVPICK-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(F)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUOYHMMTHSEKJ-NSHDSACASA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(F)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFHZMSKSZWDGLN-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(F)cccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXCVVSWMRNBGV-NSHDSACASA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3c(F)cccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPFIBOVPLHCEFO-ZDUSSCGKSA-N", "SMILES:COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTXLUZLLRISUJM-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(Cl)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMHMUHMELFJCBS-NSHDSACASA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(Cl)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REOWSJCKCYOYLG-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3cc(Cl)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFHIAAKONRMNN-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(Cl)cccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSLDKBATWMJNOE-NSHDSACASA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3c(Cl)cccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUUQJHYOVJWEKZ-AWEZNQCLSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(C)cccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIRXYAZOIUKLW-ZDUSSCGKSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3c(C)cccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDKXIUDVKUIJBT-NSHDSACASA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(Cl)cc(Cl)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIAZRITXWWPTNH-JTQLQIEISA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3c(Cl)cc(Cl)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLWZRROZCADIQQ-AWEZNQCLSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(C)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOURTFAADXDITC-ZDUSSCGKSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(C)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHOUHZKMLGYJN-ZDUSSCGKSA-N", "SMILES:COc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFZPGDVQARJQX-LBPRGKRZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3c(OC)cccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUPEUKVQKMWGR-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3cccc(F)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOIUAVPFUNLNL-NSHDSACASA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3cccc(F)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOFXNHJSTFHCTF-AWEZNQCLSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3cc(C)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNEAIYYXBKHWMI-ZDUSSCGKSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3cc(C)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFLNIJPZEKHHMD-ZDUSSCGKSA-N", "SMILES:COc1ccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZGCQSLARYWBID-LBPRGKRZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3cc(OC)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNJBLSXPWYUHOB-LBPRGKRZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3cccc(OC)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHZHYJGSVMYZHH-AWEZNQCLSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3cccc(C)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQKTEXHVZWNOM-ZDUSSCGKSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3cccc(C)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXTTXUGTXWCPFU-HNNXBMFYSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(C)cc(C)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDLUINLODALAW-AWEZNQCLSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3c(C)cc(C)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLBGSJQDOOBRU-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(C(F)(F)F)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUWMUUAHZQTWMB-NSHDSACASA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(C(F)(F)F)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNPBDJFKSZLHJ-ZDUSSCGKSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(F)cc(C)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQBSRAOVCISAR-ZDUSSCGKSA-N", "SMILES:COc1cc(C)ccc1[C@H](C)NC(=O)Cn1nnc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQNXYAXDJPHPI-ZDUSSCGKSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(F)cc3c2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVGUHHIULIPPKB-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBALUIBYEMXWRA-NSHDSACASA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(F)cc3c2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMKAHJBUJKFSQ-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSUBHVFYZXMIAC-NSHDSACASA-N", "SMILES:COc1ccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXOIGFCFUKXFFP-NSHDSACASA-N", "SMILES:COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHFAZQQRCGGNJS-NSHDSACASA-N", "SMILES:COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMJKPWYOVYYMIA-NSHDSACASA-N", "SMILES:COc1ccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIDDEVMTDGRYBN-NSHDSACASA-N", "SMILES:COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXINLWSEWPZSAH-NSHDSACASA-N", "SMILES:COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZIPXHMOCWWGGT-NSHDSACASA-N", "SMILES:COc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEFUYBHGEMUTQJ-NSHDSACASA-N", "SMILES:COc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVBEOMRNZHSKQ-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFLPUQWDEJAHHA-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCYBVBQGXJOEJY-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVSHTPOMWMZUCR-JTQLQIEISA-N", "SMILES:COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3F)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVBVBYBGSGRJPA-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBWQJOMWISNROA-NSHDSACASA-N", "SMILES:COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)F)cc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGHPTZMPYTVQJ-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXHUKMCACHRXDL-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZGJURLPBHRXHF-JTQLQIEISA-N", "SMILES:COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3F)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQEAGUMJDIWZGQ-HNNXBMFYSA-N", "SMILES:CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXZCMRONQCIGHM-HNNXBMFYSA-N", "SMILES:CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNTGGPUBNFJFLL-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRDWWMUNNALHK-CYBMUJFWSA-N", "SMILES:Cc1ccc([C@@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDUVHDCHYOJUAN-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNHXCNZBBFVSL-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKWQWSKSKJKRIZ-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOPMTWFMINSQGV-KBPBESRZSA-N", "SMILES:COc1cc(C)ccc1[C@H](C)NC(=O)[C@H](C)n1nnc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOPMTWFMINSQGV-UONOGXRCSA-N", "SMILES:COc1cc(C)ccc1[C@H](C)NC(=O)[C@@H](C)n1nnc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQFFUGYUAUCWSO-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c(C(N)=O)[nH]c2c1C(C)(C)Oc1cnccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQRVIVRAYKMRTB-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(-c3ccccc3O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWUSXUEBZNFPB-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(-c3ccc4[nH]ncc4c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFKRZORZOSOFC-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHBCYQIXVZFFIV-UHFFFAOYSA-N", "SMILES:Cn1c(C(N)=O)cc2c1-c1ccncc1OC21CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEWROMVZNURIEF-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)c(-c2ccccc2OC)c2c1-c1ccncc1OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIZWTONUSWDQJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c([nH]1)-c1ccncc1OC2C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIZWTONUSWDQJ-INIZCTEOSA-N", "SMILES:NC(=O)c1cc2c([nH]1)-c1ccncc1O[C@H]2C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXGOBEONKUXLNG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c([nH]1)-c1ccncc1OC2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOOCCFUEUQOJY-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c2c(n(CCF)c1C(N)=O)-c1ccncc1OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDJMSALOSSIES-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(-c3ccccc3C(F)(F)F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBHQPLISMLDBLH-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)c(-c2ccccc2C(F)(F)F)c2c1-c1ccncc1OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFQAFERZBGFZRQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(n1CCF)-c1ccncc1OC21CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRNKBHIBUTYIHE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC2(CC1)Oc1cnccc1-c1[nH]c(C(N)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVTZXMSQICXVKS-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c2c(n(CCF)c1C(=O)NCCF)-c1ccncc1OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOOJEBLXLLZVIR-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCN(CC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFNTZJOKBZFDQL-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVQICVKIHBQMRT-UHFFFAOYSA-N", "SMILES:Cn1c(C(N)=O)cc2c1-c1ccncc1OC21CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPEULGZDXWQEGW-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPHUXPNTWFKOR-UHFFFAOYSA-N", "SMILES:Cn1c(C(N)=O)cc2c1-c1ccncc1OC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLIIBOECZZXCB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2c(C(N)=O)[nH]c3c2C(C)(C)Oc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISQMHRGAJWVQET-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(C3CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJKHKMDUAVVBY-UHFFFAOYSA-N", "SMILES:COCCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENIGUGPROEFFL-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)c(-c2cccc(OC)c2)c2c1-c1ccncc1OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRVDFMPPZOLHDV-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)cc2c1-c1ccncc1OC2C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKWFQVVSOWLJKL-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQSEAAEVBHSFM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(n1CCF)-c1ccncc1OC21CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZQXGSFVWSAYFN-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)c(C2CC2)c2c1-c1ccncc1OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDUVEFOUGGEOCI-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)cc2c1-c1ccncc1OC2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRAVJRJCTBGPCG-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)c(Cl)c2c1-c1ccncc1OC21CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONHQIVOXCQMDSF-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)c(Cl)c2c1-c1ccncc1OC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URTXFNMSFMYZRA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(n1CCF)-c1ccncc1OC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUGVIAEKSQIGA-UHFFFAOYSA-N", "SMILES:CCn1c(C(N)=O)cc2c1-c1ccncc1OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVXMBXJEXMWXLQ-UHFFFAOYSA-N", "SMILES:COCCn1c(C(N)=O)cc2c1-c1ccncc1OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIBOVMGNFAPEJA-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2cnccc2-c2c1cc(C(N)=O)n2CCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRXYWUAAUJIKA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SURIPAFCVGJTMM-XJKSGUPXSA-N", "SMILES:Cc1nc[nH]c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(C(F)(F)F)c3)C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWZMGMGHXDDTR-WMLDXEAASA-N", "SMILES:CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H](c2nnc(-c3cnc4n3CCOC4)[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRGLCZZAKTJCX-QFBILLFUSA-N", "SMILES:COCCn1cnc(C)c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(Cl)c3)C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGSWCIPCMCTXTK-WMLDXEAASA-N", "SMILES:Cc1ncn(CC(F)F)c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(C(F)(F)F)c3)C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZQRDBOVKHURAR-DZGCQCFKSA-N", "SMILES:Cc1nc[nH]c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(OC(F)(F)F)c3)C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHYDNVEAJQGOW-WMLDXEAASA-N", "SMILES:Cc1ncn(C)c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(Cl)c3)C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNYEFOVJBNMRE-XJKSGUPXSA-N", "SMILES:Cc1nc[nH]c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(Cl)c3)C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYNARSBCMSYIW-WMLDXEAASA-N", "SMILES:Cc1ncc(-c2nnc([C@H]3CCC[C@@H](N(C)C(=O)c4cccc(Cl)c4)C3)[nH]2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFXPWHQMQKPPG-WMLDXEAASA-N", "SMILES:Cc1ncc(-c2nnc([C@H]3CCC[C@@H](N(C)C(=O)c4cccc(C(F)(F)F)c4)C3)[nH]2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHWAOADWRKASJ-XJKSGUPXSA-N", "SMILES:Cc1ncc(-c2nnc([C@H]3CCC[C@@H](N(C)C(=O)c4cccc(C(F)(F)F)c4)C3)[nH]2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHYDNVEAJQGOW-PBHICJAKSA-N", "SMILES:Cc1ncn(C)c1-c1nnc([C@@H]2CCC[C@H](N(C)C(=O)c3cccc(Cl)c3)C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQIQHHNPPBBTK-WMLDXEAASA-N", "SMILES:Cc1ncn(C)c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(C(F)(F)F)c3)C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHQYSWUSDRSLMP-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBUNTQKBSLGMM-UHFFFAOYSA-N", "SMILES:Cl.Clc1cc(-c2c[nH]c3ncccc23)cc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLPPRTBPZGASGR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c[nH]c3ncccc23)cc2cccnc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAJJRWPTDSPUPV-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2c[nH]c3ncccc23)cc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAMSTFCALPVSOC-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cc(-c2c[nH]c3ncccc23)cc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCSBDPYAXPTKW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c[nH]c3ncccc23)cc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMYYTXPJIFJEA-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]cc(-c3ccc4ncc(NCc5ccoc5)cc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCGVAQKYQAEAIH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c[nH]c3ncccc23)cc2c(-c3cccnc3)ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKNEKQQAVXEOR-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2c[nH]c3ncccc23)cc2c(-c3cccnc3)ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWJRQZPTNUYSM-UHFFFAOYSA-N", "SMILES:c1cnc2ccc(-c3c[nH]c4ncccc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHNUNRTYYWJLRW-UHFFFAOYSA-N", "SMILES:C=CCN(C)C(=O)c1cnc2[nH]cc(-c3ccc4nccc(Cl)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCDQXGBQXNGKL-UHFFFAOYSA-N", "SMILES:C=CCCCc1ccnc2ccc(-c3c[nH]c4ncc(CN(C)CC=C)cc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAFJYQDXGZTKS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3ccc4nccc(-c5cccnc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGPMPFGHBENNN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3ccc4nccc(N5CCOCC5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIFBFUJGAWXHS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3ccc4nccc(Cl)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYKPAASBLHVCBO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3ccc4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJXCXSPUKJXTHK-UHFFFAOYSA-N", "SMILES:C=CCN(C)C(=O)c1cnc2[nH]cc(-c3cc(F)c4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAMXGACATZRENQ-UHFFFAOYSA-N", "SMILES:C=CCN(C)C(=O)c1cnc2[nH]cc(-c3cc(Cl)c4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JADLORYTDWUCHF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3cc(OC)c4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCXYZMWVUGXRW-HNNXBMFYSA-N", "SMILES:N[C@H]1CCCN(c2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXKFAZQYMJDRSE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3cc(F)c4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDZZFGIWCOHTOH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cnc2[nH]cc(-c3cc(F)c4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYTRXGFGSSHDBX-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cnc2[nH]cc(-c3cc(Cl)c4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZGZIQMEWQNDY-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2[nH]cc(-c3cc(F)c4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEUXZQDACQNEDS-UHFFFAOYSA-N", "SMILES:Cl.NCCCNC(=O)c1cnc2[nH]cc(-c3cc(Cl)c4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYCTSHCXRBBDN-UHFFFAOYSA-N", "SMILES:Cl.NCCCNC(=O)c1cnc2[nH]cc(-c3cc(F)c4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREVRFYRPJSEHC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEYDHHFHEKZAMM-UHFFFAOYSA-N", "SMILES:Cl.NCCCNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOQPXZHXMVWNF-UHFFFAOYSA-N", "SMILES:C=CCN(C)C(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDNEGKWGVJGLX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGRKLZSRNFPGE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(CCc5ccccc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWPVQRHXNGZRDY-XFULWGLBSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(N5CCC[C@@H](N)C5)c4c3)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCNPHQCFFQGOC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3cc(C)c4nccc(-c5cccnc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWPVQRHXNGZRDY-RSAXXLAASA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(N5CCC[C@H](N)C5)c4c3)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNRVFIWRSOYEO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cnccc5C)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANBWKZZFNJEDBU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c[nH]c3ncc(C(N)=O)cc23)cc2c(-c3cccnc3)ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZQNHGVXUUUJJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCGSUWTGKAGTE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPGZLXRLMOJWRQ-VEIFNGETSA-N", "SMILES:Cl.N[C@@H]1CCCN(c2ccnc3c(F)cc(-c4c[nH]c5ncc(C(=O)NCc6cccnc6)cc45)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEJZYNWWSBPCNF-FSRHSHDFSA-N", "SMILES:Cl.N[C@@H]1CCCN(c2ccnc3c(F)cc(-c4c[nH]c5ncc(C(=O)NCc6cncnc6)cc45)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYHBOMHLEMTEKC-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2c[nH]c3ncc(CNCc4ccccc4)cc23)cc2c(-c3cccnc3)ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZQNGAOLGDUCQF-JOCHJYFZSA-N", "SMILES:N[C@@H]1CCCN(c2ccnc3c(F)cc(-c4c[nH]c5ncc(CNCc6ccccc6)cc45)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDNTNIXFQRANK-UHFFFAOYSA-N", "SMILES:C=CCN(C)Cc1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZLFXUUVVAHBBX-RSAXXLAASA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3ccc4ncc([N+](=O)[O-])c(N5CCC[C@H](N)C5)c4c3)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSFFGVPEQSDGZ-RSAXXLAASA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3ccc4ncc(N)c(N5CCC[C@H](N)C5)c4c3)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSRGWSJHBZSEHJ-FTBISJDPSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3ccc4ncc(NCc5cccc(Cl)c5)c(N5CCC[C@H](N)C5)c4c3)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTXCAOSUZVJRN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3ccc4ncc(NCc5cccc(Cl)c5)c(N5CCOCC5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRQNLMYEAPICW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3ccc4ncc(NC(C)=O)c(N5CCOCC5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQLFKIRERQCHLL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]cc(-c3ccc4ncc(NCC5CCOCC5)c(N5CCOCC5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRWKFBTQABGLJ-HBUVDCARSA-N", "SMILES:Cl.N[C@H]1CC[C@H](Nc2c([N+](=O)[O-])cnc3ccc(-c4c[nH]c5ncc(C(=O)NCc6cccnc6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTRCPJPJRDKLHD-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHUVRSYVNUWBJU-VZUNXAKGSA-N", "SMILES:Cl.N[C@H]1CC[C@H](Nc2c(NCC3CCOCC3)cnc3ccc(-c4c[nH]c5ncc(C(=O)NCc6cccnc6)cc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPWWNJRDTWOIZ-UHFFFAOYSA-N", "SMILES:Nc1cnc2ccc(-c3c[nH]c4ncc(C(=O)NCc5cccnc5)cc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPSDVXWXVTLCG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cnc2ccc(-c3c[nH]c4ncc(C(=O)NCc5cccnc5)cc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTZMAWLFZDCCGZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)c1cnc2[nH]cc(-c3ccc4ncc(NCC5CCOCC5)cc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANBPRTXIECGGEM-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2c(C#N)cnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBNLRQBHQLUIW-UHFFFAOYSA-N", "SMILES:CN1CCC(N(C)c2c([N+](=O)[O-])cnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPXJTZIQXSWGIT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(Nc2c(N)cnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJWCXWPUZTJNO-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]cc(-c3ccc4nccc(-c5ccncc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNCYMTQOQDJFRV-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEOUPMOIPDCJAL-SPBIILDVSA-N", "SMILES:C=CC1CN2CCC1CC2[C@H](O)c1ccnc2ccc(-c3c[nH]c4ncccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCEQQTFFVRJVHP-UHFFFAOYSA-N", "SMILES:Clc1ccnc2ccc(-c3c[nH]c4ncccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPTLBDQERMYULM-AWEZNQCLSA-N", "SMILES:N[C@H]1CCN(c2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKZBCFOSTUBJZ-CVEARBPZSA-N", "SMILES:Cc1ncn(C)c1-c1nnc([C@@H]2C[C@H](N(C)C(=O)c3cccc(C(F)(F)F)c3)CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCLPVUZVLXOPW-ZBFHGGJFSA-N", "SMILES:Cc1ncn(C)c1-c1nnc([C@@H]2C[C@H](N(C)C(=O)c3cccc(OC(F)(F)F)c3)CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXHDFMDNCTGJA-CVEARBPZSA-N", "SMILES:Cc1ncn(C)c1-c1nnc([C@@H]2C[C@H](N(C)C(=O)c3cccc(Cl)c3)CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWVJQBEXRKOBZ-QGZVFWFLSA-N", "SMILES:CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N[C@@H]3CCOC3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWVJQBEXRKOBZ-KRWDZBQOSA-N", "SMILES:CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N[C@H]3CCOC3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHMBNOOUSWWUFM-UHFFFAOYSA-N", "SMILES:COCc1cc(C)nc2sc(C(N)=O)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXAFBASLBZBIA-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc2nccc(N3CCCN(c4ccccc4)CC3)c2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNUXPKGFGSPGC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cc1ccc(N2CCCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUIFFZUDBNULIZ-MOSHPQCFSA-N", "SMILES:CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMPAXTZRLKTKT-ONUIUJJFSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMQCMXVLNVXKT-ITYLOYPMSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4C)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKYURHMLVNHRIO-PLRJNAJWSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBDZSVOHRPWDJU-JLPGSUDCSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c(C)c1C(=O)NCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIHXZNAVIVCVLL-NKFKGCMQSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GORVIQUYEZXVOA-XHPQRKPJSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccnn4-c4cccc(OC)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUQOALXUSWDGRS-JWGURIENSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccn(-c5cnccn5)n4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTKCFZUMEXPVOB-UCQKPKSFSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccncn5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPBPTCVXPYEAO-HAHDFKILSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ncccn5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOFKDTVPYPASD-UUYOSTAYSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5cscn5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLJPCUOBYKWXOK-MYYYXRDXSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5cccnc5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWQEKHIOXGCNJ-MOHJPFBDSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOEJAZLXBYUXMF-ULJHMMPZSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ncc(-c5ccccc5)o4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJOOPFAVWTWTIK-JLPGSUDCSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFJPKMFIOGIEC-XYGWBWBKSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(C5CCOCC5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAPTXSGVKBRHIZ-BWAHOGKJSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccnn4-c4ccc(F)cc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDCFVGYSAJCOJ-XHPQRKPJSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccnn4-c4ccc(OC)cc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSZOTKWWWVBEF-BWAHOGKJSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccnn4-c4ccc(C(F)(F)F)cc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RABIETKMZPTGCJ-XHPQRKPJSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccnn4-c4cccc(C)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZLDFBXGZNHIMZ-NKFKGCMQSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccnn4-c4ccccn4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDOHSLRLQWQLHJ-QJOMJCCJSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccnn4-c4ccc(Cl)c(Cl)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWIBUHCERCQXPG-MOHJPFBDSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccnn4-c4ccncc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGWMNXRXNGQIV-JLPGSUDCSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5Cl)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUQCNDKGNVCLW-HMAPJEAMSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5nccs5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWMANXXDVOBLCG-QQXSKIMKSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccc(S(N)(=O)=O)cc5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZCGYCAAZPZHJL-IYSVZGAQSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)N[C@H]1CCCNC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZCGYCAAZPZHJL-SSSLRDAYSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)N[C@@H]1CCCNC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMVNOHALPEPOV-IMRQLAEWSA-N", "SMILES:CCN(CC)CCCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKXLDXNBCHTNNR-XYGWBWBKSA-N", "SMILES:CCOCCCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUTIJVWQZGMIEC-IMRQLAEWSA-N", "SMILES:CCN(CC)CCN(C)C(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVWAOHYYFDIZPA-JWLSWTATSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NCC1(N)CCCC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUEWEYONNQYQLM-JWLSWTATSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NC1CCNCC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISYAXFBGUBROU-OBUWGQEBSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)N[C@H]1[C@@H]2CNC[C@@H]21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWDJSRMAJVXEM-FYXXFSMRSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NC1CNCC(c2ccccc2)C1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLABCXCVYCKPSQ-VEILYXNESA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NC1(CN2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKIISCIUQJMJE-MYYYXRDXSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBPLVRRNKUNIE-IFZYZTQISA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NC[C@H]1CCCN1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJMFRKOCDLMRJ-IYSVZGAQSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NC[C@@H]1CCCN1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDFCBDHGCUCOC-KQWNVCNZSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(-c4csc(-c5ccccc5)n4)ccc32)c(C)c1C(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZLVTQGCAGEQM-ULJHMMPZSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLANLBXARIECSL-KQWNVCNZSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c(C)c1C(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOIMPMCLORTJBY-PLRJNAJWSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(-c4ccc(-c5ccccc5)s4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRQQCYFBYHSTQ-QJOMJCCJSA-N", "SMILES:CCN(CC)CCNCc1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccc(-c5cccs5)s4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVGVPCAEURBLKO-MOHJPFBDSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(-c4ccc(-c5ccccc5)s4)ccc32)c(C)c1C(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQIQPYLWQJDPU-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(-c3ccnn3-c3ccc(Cl)c(Cl)c3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBBMZTLXNSCOJF-BWAHOGKJSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(-c4oc(-c5ccccc5)nc4C)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVZKYGVDZJXPJ-ULJHMMPZSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4nc(-c5ccccc5)cs4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIZIXMSCYUGHA-PLRJNAJWSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)o4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEBJDWUYTTXTKZ-HFTWOUSFSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cccc(-c4ccc(-c5ccccc5)cc4)c32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYCZRASNUSBIC-OOAXWGSJSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cccc(-c4ccc(-c5ccccc5)cc4)c32)c(C)c1C(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDFLOPRLNRPIC-PGMHBOJBSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSLTNNOSABCDI-PGMHBOJBSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)nc32)c(C)c1C(=O)NCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3733966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPYNIQQOQOFKM-ZDLGFXPLSA-N", "SMILES:Cc1cc(C)c(/C=C2\\C(=O)Nc3ccc(-c4csc(C5CCCNC5)n4)cc32)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYOYUHRDKXJEF-JWGURIENSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4n[nH]c5ccccc45)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSUPNBLRZODJAF-JCMHNJIXSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(-c4cccnc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTRQNUCQJLXLF-GRSHGNNSSA-N", "SMILES:Cc1cc(C)c(/C=C2\\C(=O)Nc3ccc(-c4ccc5cn[nH]c(=O)c5c4)cc32)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHMGVPPAYIWPFB-WJDWOHSUSA-N", "SMILES:Cc1cc(C)c(/C=C2\\C(=O)Nc3cccc(-c4ccncc4)c32)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRRTRVKYUKPFS-PDGQHHTCSA-N", "SMILES:Cc1cc(C)c(/C=C2\\C(=O)Nc3cccc(-c4ccc5cc[nH]c5c4)c32)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3730933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMWFVBREMTTLF-CHHVJCJISA-N", "SMILES:Cc1cc(C)c(/C=C2\\C(=O)Nc3cccc(-c4cncnc4)c32)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHDVTOHHDLNYBL-UCQKPKSFSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3c2cccc3-c2cncc(C)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICLTDJDTYBWRP-ULJHMMPZSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3c2cccc3-c2ccc3cc[nH]c3c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVYVBMSDSYXHMV-JWGURIENSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3c2cccc3-c2cccnc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIFVBLNFAOZBR-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-n2nccc2-c2ccc3c(c2)CC(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPKMKGLFRVLPF-APSNUPSMSA-N", "SMILES:Cc1cc(C)c(/C=C2\\C(=O)Nc3c2cccc3-c2cncnc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSUPSBDNUMSNQO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSUPSBDNUMSNQO-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CC=C(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGSWHUBBRQXAY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVKNJWYFKQBNZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFRSDNYJPASDOG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUDPXOAJUACLFI-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CCC(c2ccc(C(C)C(=O)Nc3cc(C4CC4)n[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSBGARFTIZDELR-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJQMBFLPNYIXLL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFYBILFYIVKJHJ-YJJPMGAVSA-N", "SMILES:CCN(CC)C/C=C/C(=O)N1CC=C(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEVJHGZSBPGTMO-WRFKIARRSA-N", "SMILES:C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(C2=CCN(C(=O)/C=C/CN(C)C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUPBLGREELQEBD-NUALSEBGSA-N", "SMILES:C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(C2=CCN(C(=O)/C=C/CN3CCOCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBMWTYSPAYUDZ-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CCN(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGBKZHEQNMKJY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFTWKRKHDPWMTM-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CCN(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOZCRGJKQVEFX-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CCC=C(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNWIBFXHQBOSSU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPCQQZMELPQBCN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFVYFGUZKKLGL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC=C(c2ccc(C(CC)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGIJKPXAGPHGD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC=C(c2ccc(C(C(=O)Nc3cc(C4CC4)[nH]n3)C(C)C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIJIOQITSXYSKV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXKPNDMPSKRYFH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJVMZQYUJOCBPO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC=C(c2ccc(C(C(=O)Nc3cc(C4CC4)[nH]n3)C(C)C)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHAPVTICMSFRIR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKAWLWYYIKUDN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRMFYNTXRQPSMN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAHFDYWQKGERT-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMZGUBXDLSCJRA-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEWSSFSLZFTZRZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHDGUFCNJWVQW-DUXPYHPUSA-N", "SMILES:C/C=C/C(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBOODKYDGCRQM-UHFFFAOYSA-N", "SMILES:CC(C)=CC(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAAXETMTUYPROV-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKBGPXKESUWDQK-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKMSYPYWPJSTGX-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGLKGQQXJZIODI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBXMBJNAMMAOAE-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTNHSZSTVBGCV-UHFFFAOYSA-N", "SMILES:N#CN1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBHJLVVSAFXIN-UHFFFAOYSA-N", "SMILES:N#CN1CC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOXNEJDOWIWSE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2ccc(C(C(=O)Nc3cc(C4CC4)[nH]n3)C(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZZUUJUCXYDSIW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2ccc(C(C(=O)Nc3cc(C4CC4)[nH]n3)C(C)C)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFBGDRIHBSNMU-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDYQFGCWGWMKSX-VMPITWQZSA-N", "SMILES:CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1cccc(C2CCN(C(=O)/C=C/CN(C)C)CC2)c1"]}
{"name": "Protein mono-ADP-ribosyltransferase PARP15", "xref": ["CHEMBL.TARGET:CHEMBL2176778"], "id": "UniProtKB:Q460N3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL338314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFUJIPVWTMGYDG-UHFFFAOYSA-N", "SMILES:Oc1cccc2c(O)nccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRYKZAKEAVZGJD-UHFFFAOYSA-N", "SMILES:Cc1nc2c(c(=O)[nH]1)CSCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL45245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFVLEJOHSLEFR-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL101309", "category": ["biolink:ChemicalEntity"], "name": "AVASIMIBE", "xref": ["InChIKey:PTQXTEKSNBVPQJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1"], "synonym": ["Avasimibe", "Avasimiba", "CI-1011", "Avasimibe"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWBGCBBEVEWOB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(-c2ccnc(NCc3cnc(C)cn3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJLOBGDVAGESB-UHFFFAOYSA-N", "SMILES:OCCCCCNc1nccc(-c2cnn(-c3ccccc3F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSMOEHAAMQPQP-UHFFFAOYSA-N", "SMILES:Cc1cccnc1CNc1nccc(-c2cnn(-c3ccccc3F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGQNBCFCDNHMR-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-n1cc(-c2ccnc(NC3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFKFLZENHCXOQ-UHFFFAOYSA-N", "SMILES:CC(Cc1ccncc1)Nc1nccc(-c2cnn(-c3ccccc3F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWWWNDYSZZPBJC-UHFFFAOYSA-N", "SMILES:NCCCCCNc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHIOWMLDFTMCW-UHFFFAOYSA-N", "SMILES:NCCCCCNc1nccc(-c2cnn(-c3ccccc3F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHVHGKQSJDQFN-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-n1cc(-c2ccnc(NCC(F)F)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCILEZSMIOTKGO-UHFFFAOYSA-N", "SMILES:CCNc1nccc(-c2cnn(-c3ccccc3F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBSYGMGTSHVEP-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-n1cc(-c2ccnc(NCc3ccncc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVFPVPUTVIAVER-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(-c2ccnc(NCc3c(C)n[nH]c3C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOGNQWZPHBPIT-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccccc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDNQEZGZWYFOSD-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOOCOLQVNUDSW-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(F)cc4C)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFSUIBXPYGBLF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(OC)cc4Cl)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUQVVGBFOUCSBV-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(OC)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUVZYAXXTAVISU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSIXGYDWSZWNIM-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccccc4Cl)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJAYGZQFINWAMB-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(C(C)C)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPNHWFMWMLNCOZ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(C)c(C)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPVMALEEQHEHP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccccc4C)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBVBHAUPOOCKS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccccc4OC)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNPDSSKDFKAFO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGUXERZDWDILR-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4cccc(F)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JARRSIKESKBYQW-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4cccc(OC)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXKJMOPVZISDY-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(N)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCFRDDTZAXOJRF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPZXHLSWUPMUPF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(C)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDXMIAAXGLWBS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccccc4O)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHSUIKPYKODTQ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc([N+](=O)[O-])cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJSQNPVOVGHDGQ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(C)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJPGTKRRBCMKOP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(F)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOZRWJUJHFNBH-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccccc4N)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LASQNXSZSIOOSF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4cccc(N)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZKAIBFRRQSRK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4cccc(N(C)C)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPVDYKIIQNYWKG-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4cccc(C)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYPLZNBMAJVTNZ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccccc4F)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYAJJMMILCXDO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4cccc([N+](=O)[O-])c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCGVCZFDVEKHO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(C(F)(F)F)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBJXJIXTUURJX-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(Cl)cc4Cl)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEWWKUNOZCYHL-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(Cl)c(C(F)(F)F)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZPHPMHPAZKHQ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4cccc(O)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFHNQRIASNEIAT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3[nH]nc(C(=O)c4cccc(NS(C)(=O)=O)c4F)c3c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPNRUFOUKOFTR-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1cnc2[nH]nc(C(=O)c3cccc(NS(C)(=O)=O)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISWVAGVXQIZFRE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(C(=O)c2n[nH]c3ncc(-c4ccc5c(c4)OCCO5)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFNVLLHCODGFN-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1cccc(C(=O)c2n[nH]c3ncc(-c4ccc(OC)cc4Cl)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWGMTBWXPSYOW-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1cccc(C(=O)c2n[nH]c3ncc(-c4ccc(F)cc4C)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMZGHMNSJYHSW-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1cccc(C(=O)c2n[nH]c3ncc(-c4ccc5c(c4)OCCO5)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNOHOPSWWOASA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2cnc3[nH]nc(C(=O)c4c(F)ccc(NS(=O)(=O)Cc5ccccc5)c4F)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQCRRGZNKPGOU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQWOYNAQDIDFE-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCTBZCQFRUKGOT-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(C(=O)O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMRDEYQLNFVLV-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(-c5nnn[nH]5)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RELYPZXUHXUCKI-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(C(N)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVPWMUHYRUVFNF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(NS(C)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCCBOMQJTZNFG-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(=O)(=O)NC)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKFUAPGAQZEUSO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(=O)(=O)NCC)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRDPGLXDKNCWGD-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(=O)(=O)NCC(O)CO)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBXWQIIJMPFIK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(=O)(=O)NC(C)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFLAUZQTMHLJTJ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(C(=O)NCC(O)CO)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SINZFMFAFLUGOW-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4F)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSJPHVZQOVSGD-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4Cl)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXMCUPFUFASOB-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)c(F)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNFVKHAKKXGKQH-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)c(C)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKZNZFLMZNVOK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2cnc3[nH]nc(C(=O)c4c(F)ccc(NS(=O)(=O)Nc5ccccc5)c4F)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTUKNUVABIJHK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)cc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMLAUOWEHOSSY-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFHKYJXEWCKOP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(C(=O)O)nc4)cc23)c1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNCEJGOXOHAIW-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVJJWRSOPGTJTN-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(C(=O)O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795907", "category": ["biolink:ChemicalEntity"], "name": "DARIZMETINIB", "xref": ["InChIKey:WBNMARNYIFMNEP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccncc4)cc23)c1F"], "synonym": ["Darizmetinib", "Darizmetinib", "Darizmetinib", "HRX-0215", "LN-3348", "LN3348"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOWCTAYPMPITBR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(NS(=O)(=O)Cc2ccccc2)c1F)c1n[nH]c2ncc(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSNHXNSFNQLSBY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccncc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWPSTOAQVCWZJW-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(C(C)C)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGLRIINNZBEUGM-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(F)cc4C)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRZWACOVBDMYRF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFAGOSVESOCDJ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4C)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDGFIEFYQNISAQ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4cnc(C(F)(F)F)nc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGHCRHPBSJSFCU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(Cl)cc4C)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXOFHZZTGBRCRP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(C5N=NN=N5)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHDJKYQYKKLVOP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(NS(=O)(=O)Cc2ccccc2)c1F)c1n[nH]c2ncc(-c3ccc(C4N=NN=N4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCWOUBBCTWWXDR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOOFZHEFFRWOT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(-c5nnn[nH]5)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUYRTMQWHBKTQJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(C(N)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSLNUHJIZPSAO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADSZONFFNEDSP-LMOVPXPDSA-N", "SMILES:CS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(C(=O)OC[C@H](N)C(=O)O)cc4)cc23)c1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUKAMXCFKQWEBY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccncc4)cc23)c1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDDLENGYJJTFT-UHFFFAOYSA-N", "SMILES:CS(=N)(=O)c1ccc(-c2cnc3[nH]nc(C(=O)c4ccc(F)c(NS(C)(=O)=O)c4F)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDWXDSXHVBKJU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccccc4Cl)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRUKOBSQVLMZOY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(C5N=NN=N5)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWAEUIYQMTGME-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(NS(=O)(=O)Cc2ccccc2)c1F)c1n[nH]c2ncc(-c3ccc(O)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZSHWBGHQBIML-DVKXZNKPSA-N", "SMILES:CN(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](c5ccc6ccncc6c5)[C@@]4(C)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOHENVFPDFNMW-SBBQFRTFSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccc4ccncc4c3)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJULIXKPYBIXJW-XGIAQDQTSA-N", "SMILES:C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccc4ccncc4c3)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZKROHLZVCIHSX-HQKQBNOYSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccc4nc(N)ncc4c3)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNVCTRGKURQQID-MRERIHQUSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccc4c(N)n[nH]c4c3)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVFCJMVSUKXLM-RWPYVKSISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2ccncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHCEFFNSAJPSL-JWFGUYJLSA-N", "SMILES:C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc4ccncc4c3)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZQPBUUXFDSNIV-VRPROWQSSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWWBWKHTFXTLG-VFVKCCKNSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2c(N)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADODHVVCFHLOHD-RWPYVKSISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2cnccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXPPLKRCNPLSE-OTFSTGPRSA-N", "SMILES:CN(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc5ccncc5c4)=CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFCWTQYOYQEKNO-IIDDIWEJSA-N", "SMILES:CN(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc5ccncc5c4)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXPPLKRCNPLSE-HUJRVBEYSA-N", "SMILES:CN(C)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc5ccncc5c4)=CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFCWTQYOYQEKNO-OKASIGMFSA-N", "SMILES:CN(C)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc5ccncc5c4)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNQHSHNIBPTGI-GIHFEDOESA-N", "SMILES:CN(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc5ccncc5c4)=CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGPZZNHQBCBRY-DVLLIWGRSA-N", "SMILES:C[C@]12CC[C@H](N3CCOCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc4ccncc4c3)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWOPMJKYTAVWCE-IIDDIWEJSA-N", "SMILES:C[C@]12CC[C@H](n3ccnn3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc4ccncc4c3)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQAZPRXRPMQQCN-UEJNVYAJSA-N", "SMILES:CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc5ccncc5c4)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVBNDDNOBSXFEC-AYHYMITASA-N", "SMILES:CC(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc5ccncc5c4)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEABSTHBVKVCRQ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(S(=O)(=O)NCC(O)CO)nc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZXRWNLPYUVQH-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)NCC(O)CO)nc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHBYTMOSRYTMT-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(-c6nnn[nH]6)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFNPUUYTQMWJP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(N)=O)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQODUIOBWAVOTC-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(O)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJTBIYLBSQNART-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccccc5F)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJCLVEYKBZDBMS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(S(N)(=O)=O)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDSIHSPRRFWSW-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccncc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOBZHQQZGRDJQP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJSADAUCDLGTDS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(S(N)(=O)=O)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIUGMQSFOVRNOR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(S(N)(=O)=O)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZMIOPSAKUEGRA-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5cccnc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKNCUAAIHQVAK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(OCC(O)CO)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANEYMYFVFGMNOK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)O)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTNHQKYNWIEEGS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(Cl)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEBGGSOCUSXQAP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(N)nc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJCMESKRSFWQJ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBVMIVLNZMFSGM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1c(F)ccc(C(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXOLFFKDRZXND-UHFFFAOYSA-N", "SMILES:CCCCCn1ccnc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPOWRIQTDNOBU-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOXCFLMOVHYJOF-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2C)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAMLNSQSHPQARD-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2CC)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQCCIMYOJSLLLF-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cccc(C)c2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEISENKDUYFOH-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(C)cc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTWNPTOYTSGYSF-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cccc(C)c2C)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZIGCHCMOSAYIV-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(C)cc2C)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDJWHCNPRWEUKZ-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cc(C)ccc2C)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUYPFTWNQCCPV-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2c(C)cccc2C)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZAWLEXNMDQBBO-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(Cc2ccccc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCUAPUWKXGNRD-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(CCc2ccccc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCKTOJDXSDWFJ-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cccc3ccccc23)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMIXNAAOWWEFO-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cccnc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDRILNZELRIXFI-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2c(C)noc2C)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEWGGWOAZRBKRS-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2O)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWVONKSINUZIKG-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2CO)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXOBXJRLRXLCP-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(N)cc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXAKWFFECHUFI-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(C(N)=O)cc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOZJIVKLQNHDLV-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(C(=O)OC)cc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRKVENHQJHJWNN-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2C(=O)OC)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIQEKDAWKHAPT-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2OC)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBODXIMAMRTSTO-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cccc(OC)c2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRDPCPDVBNQHZ-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(OC)cc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQBDKHDFVKFIP-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(OC)cc2C)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWARNADRJXSYKN-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cccc(C)c2OC)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRJYWFPTBBPILO-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cccc(OC)c2OC)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URAUCFCSFIHLBZ-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cc(OC)c(OC)c(OC)c2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUXHCJJPQJOTG-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2Cl)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIYDPJUJDRIHT-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cccc(Cl)c2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFMSOMCVJGIYCA-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(Cl)cc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAPNYYYSIFTNQ-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2F)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPECTEILWKKRIL-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cccc(F)c2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQWBBYVKKZPGW-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(F)cc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVWOCBVRDUGYBG-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(F)cc2C)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUYCKYXYGCNBN-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2C(F)(F)F)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBRIBBDHJOFOA-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cccc(C(F)(F)F)c2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWWVMWJRBVYKT-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(C(F)(F)F)cc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGEWEBZRZICYBV-UHFFFAOYSA-N", "SMILES:CCCCCn1c(N)nc(-c2ccccc2)c1-c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPFJEGWZYAOFN-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc3ccccc3c2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVYOZZPFSJQGGV-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccc(-c3ccccc3)cc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUVCNWHGWYIZJO-UHFFFAOYSA-N", "SMILES:CCCCCc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1807733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFWTXKIFQPQQA-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccccc2)cnc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTXRTYCGTUURB-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2ccccc2OCc2ccccc2)nc1N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUBMDYCXTDANEM-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)Oc1ccc(C2=NCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHVUFQYJOSFTEH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccccc2)c1)OC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBVLSXPOMAONNK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)n1nnc(Cc2ccc(-c3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXHQLPHDBLTFPM-UHFFFAOYSA-N", "SMILES:O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORRCBDNLVGSTQ-UHFFFAOYSA-N", "SMILES:O=C(CNc1nc2ccccc2s1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNZXZRBUWOYTAL-UHFFFAOYSA-N", "SMILES:Cc1cc(NCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMMDAKMIUOPKU-UHFFFAOYSA-N", "SMILES:O=C(CNc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFSIZWOFIYZGOB-UHFFFAOYSA-N", "SMILES:O=C(CNc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFOXQCQBYBIJN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYZCPRDLNQPSJT-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(O)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVWKGLPGGMVLLJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBDADWUOOUMIO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYXNRCOBYJATK-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYRNDADZKSGDCC-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTFOJXCVUKZQM-UHFFFAOYSA-N", "SMILES:O=C(CNc1c(Cl)cccc1Cl)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEOIPJJPOXRWSN-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFLNICWDLGQSNW-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHJALUDXUYGRI-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NINJPMMTMWOQAN-UHFFFAOYSA-N", "SMILES:O=C(CNCc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMOUGHFTTTUNNP-UHFFFAOYSA-N", "SMILES:O=C(CNC1CCCCC1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDVAILKRXXOCPS-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWTYBRPYHOTKDE-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUWSQNZDKFOMH-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQVGEOSFOFOGJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTQWWOHESZEDOP-UHFFFAOYSA-N", "SMILES:O=C(Cn1cncn1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWTCPZVSOLLRFG-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccnc1)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXQHVUERBRWDB-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccc2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMLSSUDWNOVMT-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVKEEFIPBQIMD-JTQLQIEISA-N", "SMILES:CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQJEWDIRFJSCE-IUXPMGMMSA-N", "SMILES:CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(OC)cc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYJJXLTWZLGQH-IUXPMGMMSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(O)cc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEJQBEJOXJYPRT-NVNXTCNLSA-N", "SMILES:COc1ccc2[nH]cc(/C=C3\\C(=O)Nc4ccccc43)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLKHXLFEYOOYEY-NVNXTCNLSA-N", "SMILES:Cn1cc(/C=C2\\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNCKEUJKZQDWAH-APSNUPSMSA-N", "SMILES:COc1ccc2c(c1)c(/C=C1\\C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL321955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFTGOSQNWXOYGE-AUWJEWJLSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)/C(=C/c1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCGXAWJRNVHWAI-NTEUORMPSA-N", "SMILES:O=C1Nc2ccccc2/C1=C\\c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL471375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEUOKHPXFAOIV-GDNBJRDFSA-N", "SMILES:Cn1cc(/C=C2\\C(=O)Nc3ccccc32)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL106226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDSZFWFNRRXLGU-UUASQNMZSA-N", "SMILES:COc1ccc2[nH]cc(/C=C3\\C(=O)Nc4ccc(S(N)(=O)=O)cc43)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL322153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYOPWGGWWAKPE-NVMNQCDNSA-N", "SMILES:COc1ccc2c(c1)c(/C=C1\\C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc31)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWVMXDXXVGCFF-RZNTYIFUSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)/C(=C/c1c[nH]c3ccc(O)cc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGAHYYSCYXLLY-LCYFTJDESA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C2\\C(=O)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL369490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAQPJTWHEWHPNC-ZDLGFXPLSA-N", "SMILES:O=C1Nc2ncc(Br)cc2/C1=C/c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL172179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBBKRZRJMHITR-ZROIWOOFSA-N", "SMILES:Cn1cc(/C=C2\\C(=O)Nc3ncccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYXEGSPUDSZJY-PTNGSMBKSA-N", "SMILES:O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1794056", "category": ["biolink:ChemicalEntity"], "name": "GW301789X", "xref": ["InChIKey:KMHXVUCYJPXSIV-DHDCSXOGSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/Nc1ccc(-n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176857", "category": ["biolink:ChemicalEntity"], "name": "GW442130X", "xref": ["InChIKey:RIJBDOXTEPVDPJ-APSNUPSMSA-N", "SMILES:COc1ccccc1-c1cc(/C=C2\\C(=O)Nc3ncc(Br)cc32)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZCJCGYMMSXPBM-SSZFMOIBSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1\\CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNQLECPAXXYTR-LCYFTJDESA-N", "SMILES:Cn1cc(/C=C2\\C(=O)Nc3cccnc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1794057", "category": ["biolink:ChemicalEntity"], "name": "GW284408X", "xref": ["InChIKey:WPAUHINVDSQAEQ-FLIBITNWSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1794058", "category": ["biolink:ChemicalEntity"], "name": "GW278681X", "xref": ["InChIKey:UGKCASUMDGHTLI-UVTDQMKNSA-N", "SMILES:CS(=O)(=O)Nc1ccc(N/C=C2\\C(=O)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBVZBSMGUVONA-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFBDHGCAVAKJA-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNFDELVCLWMEAC-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGWHLBSFXMEQC-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVLPUFQZDYPCJ-JTQLQIEISA-N", "SMILES:COc1cncc(-n2c([C@H](C)Nc3nc(N)nc(N)c3C#N)nc3cccc(Cl)c3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBXXFRDRUYJPZ-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3985378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDXCNMXBFZNDX-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWAVWFHYGLYYJE-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODOHQQWQXQEQB-NSHDSACASA-N", "SMILES:Cc1ncccc1-n1c([C@H](C)Nc2nc(N)nc(N)c2C#N)nc2cccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAFKEIXHLUCWPA-NSHDSACASA-N", "SMILES:Cc1ccncc1-n1c([C@H](C)Nc2nc(N)nc(N)c2C#N)nc2cccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3909674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UISOZEPWNXYPCK-JTQLQIEISA-N", "SMILES:Cc1c(F)cncc1-n1c([C@H](C)Nc2nc(N)nc(N)c2C#N)nc2cccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCKCJTUBGNGWLU-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cccc2c(=O)n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFBELHLBYOYBA-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILFNRQIMQHLZDH-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(F)c2c(=O)n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLLCZYJIHWNIHU-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHEKIAITWHNQAM-QMMMGPOBSA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cncc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFUZHMXGJGAKU-AWEZNQCLSA-N", "SMILES:CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928407", "category": ["biolink:ChemicalEntity"], "name": "GS-9901", "xref": ["InChIKey:XDSXYMOZKDUASY-INIZCTEOSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N[C@H](c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1)C1CC1"], "synonym": ["Gs 9901", "Gs-9901"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707392", "category": ["biolink:ChemicalEntity"], "name": "ELECLAZINE", "xref": ["InChIKey:YNUAEEJQYHYLMS-UHFFFAOYSA-N", "SMILES:O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1"], "synonym": ["Eleclazine", "Eleclazina", "Eleclazine", "GS-6615", "Eleclazine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOFKKGMAEWHODX-UHFFFAOYSA-N", "SMILES:O=C1c2cc(-c3ccc(C(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3967382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGBBHDEHMTBKB-UHFFFAOYSA-N", "SMILES:O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1CCc1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXVJQKBNRXYDB-UHFFFAOYSA-N", "SMILES:O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJVKRZUNQBUESJ-UHFFFAOYSA-N", "SMILES:O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTYWABHARIBXBU-UHFFFAOYSA-N", "SMILES:O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBQGVRNLZAJDM-UHFFFAOYSA-N", "SMILES:COc1ccnc(CN2CCOc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDKQXCVNFFICGK-UHFFFAOYSA-N", "SMILES:Nc1ccnc(CN2CCOc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHGUZCKPFXXVPV-GOSISDBHSA-N", "SMILES:CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZAIUFQJUVFEZ-MRXNPFEDSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCNCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLKZMKUYTALXRB-QGZVFWFLSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBLZVWOLMMRHHZ-LJQANCHMSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)C(C)C)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVPXNDKJJUDGF-LJQANCHMSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)OC(C)C)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEFRRATWSMOUOK-GOSISDBHSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)N(C)C)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAKAKFAYYKRBK-GOSISDBHSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C3COC3)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGVXREOUIGGCLP-LJQANCHMSA-N", "SMILES:CCOC(=O)CN1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXCPKIQRWLNFN-GOSISDBHSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CCC(F)(F)F)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNEFSJHJVDPVFV-GOSISDBHSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(C)(F)F)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYNHCWNJMCXHAP-QGZVFWFLSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)C(F)F)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQOXQFWLPWTPPB-QGZVFWFLSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)F)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297463", "category": ["biolink:ChemicalEntity"], "name": "CPI-1205", "xref": ["InChIKey:HPODOLXTMDHLLC-QGZVFWFLSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12"], "synonym": ["Lirametostat", "Cpi-1205", "Ezh2 inhibitor cpi-1205", "CPI-1205"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVHYWYQEFELOW-HZCBDIJESA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSGDXCDNZWTJN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#Cc1nn(C2CCN(C)CC2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSNQNHMQGHRVGC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#Cc1nn(CC2CCN(C)CC2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBNIHZPFABOER-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#Cc1nn(CC2CCN(C)C2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLOMIKOARFGGZ-OAQYLSRUSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#Cc1nn([C@@H]2CCN(C)C2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRDCQGAYWSHBCI-HZCBDIJESA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVQUSMRABAJAR-VWLOTQADSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKVVLTUTCPYXBP-LJAQVGFWSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCCYPSGLCYDNW-NDEPHWFRSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGIUHWQDGPFXSG-VWLOTQADSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINQKEIMTDJCFG-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJKGEYLBWLFPM-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHRWHNJJQGSCQC-GDLZYMKVSA-N", "SMILES:CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGIWTYBODMDQN-MHZLTWQESA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGIWTYBODMDQN-HHHXNRCGSA-N", "SMILES:CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKHJVBQRWOSHU-MHZLTWQESA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCNRSGMLSPYQX-MHZLTWQESA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYNYEMJGNQUMA-NDEPHWFRSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKYTKCGFFHJRU-LJAQVGFWSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFECBEZYHLZTCS-MHZLTWQESA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQOCNBTDFNURU-VWLOTQADSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZOVXNKWRTVWKI-SANMLTNESA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQDRXNVVTZECL-DEOSSOPVSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLSDEMEFGKOKZ-DEOSSOPVSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBXYPXDPQQROL-VWLOTQADSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXBDSTLZQNSEGA-VWLOTQADSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWYVKIYWPYHFR-PMERELPUSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPPVVNXEJUDPRL-YTTGMZPUSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQPCBXOKNSAPQ-MHZLTWQESA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBHFUFPPJJGPP-LJAQVGFWSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQJZRRRDHXPJJ-MHZLTWQESA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMPSBVGDMAOKX-NDEPHWFRSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEVBGMGJZAYACN-MHZLTWQESA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVDLRVFJTVWEO-QFIPXVFZSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIZDOKWMTBVGAP-NRFANRHFSA-N", "SMILES:O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVHWDLXVLNUEAG-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ncc(C(=O)NC(C)(C)c3ccccc3)c(O)n2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQSFIUCUOLNKE-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cnc(-c2cscn2)nc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBQJDDSEWPDCHA-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2ncc(C(=O)NC(C)(C)c3ccccc3)c(O)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWIYRQCICNVJRW-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cnc(-n2cccn2)nc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYHYQAIXYZMSSB-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cnc(-n2cc(C(=O)O)cn2)nc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPDBPKGKVRTML-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cnc(-n2cc(C(N)=O)cn2)nc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESFHGDLBSWKBC-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cnc(-c2ccccn2)nc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJHCVPVWFGEQDZ-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cnc(-c2cc(C(=O)O)ccn2)nc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVDMTUPTDEWPU-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cnc(-c2ncccn2)nc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJYTFKLKFBPSJ-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cnc(-c2cccnn2)nc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZNVDKNZDDDDSU-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANRUUSCEOBJHP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCVZHXPDLGLVEM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(OC(F)(F)F)cc1)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEGJPLILELCCOE-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)c1cnc(-n2cccn2)nc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEGJPLILELCCOE-LLVKDONJSA-N", "SMILES:C[C@@H](NC(=O)c1cnc(-n2cccn2)nc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOGZVJJNDDMPP-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)c1cnc(-n2cccn2)nc1O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOGZVJJNDDMPP-SNVBAGLBSA-N", "SMILES:C[C@@H](NC(=O)c1cnc(-n2cccn2)nc1O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHOQOPDJIKLLT-LBPRGKRZSA-N", "SMILES:C[C@@H](c1ccccc1)N(C)C(=O)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIFFMHNSRWITIH-NSHDSACASA-N", "SMILES:COc1ccc([C@H](C)NC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKRFBVXEOZHSZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(-c2ccccc2)cc1)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFJFWJZYLAESR-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccccc1)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZAFFTYZMCNKA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(NC(=O)c2cnc(-n3cccn3)nc2O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPPHMHXWTWUAX-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccccc1)c1cnc(-c2cccnn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLPERVDMILVIF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(NC(=O)c2cnc(-c3cccnn3)nc2O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHLBUYJFAMTTPX-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)c1cnc(-c2ccccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXVVAWAHQHJPF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRLRWZISXINRF-UHFFFAOYSA-N", "SMILES:CN1CCCOc2c(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEUGHWMFVZAPGL-UHFFFAOYSA-N", "SMILES:CN1CCOc2c(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFLLZEXKZYGUGL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCN4)c(O)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKBEUKRCQPJPK-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Nc2cc(C(C)(C)C)on2)ccc1Nc1ncnc2c1OCCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWJJQJEQGOXKO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncnc4c3OCCN4)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWBZZJHDZFKJB-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncnc3c2OCCN3)ccc1NC(=O)Nc1cc(C(C)(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSWVFLWLKSVRR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)on2)ccc1Nc1ncnc2c1OCCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHKRAKYVKPFPPP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCN4)cc2F)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZHXUJHAINKRH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCN4)c(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFJSPEOBXIGOPJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c(NC(=O)Nc2ccc(Nc3ncnc4c3OCCN4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVXXHWNFSVMRAW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2ncnc3c2OCCN3)cc1)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKKUYVUGIEVRS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2ncnc3c2OCCN3)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAJBWQRFQJRRR-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCN4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCCAQRBDJDLIT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCN4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUXHZKCJNVQKDU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2ncnc3c2OCCN3)cc1)Nc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXCNSSWBIBTGOX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCN4)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURDYILFAJIFFW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCN4)nc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRIDCYVCUDESRG-UHFFFAOYSA-N", "SMILES:CC(C)N1CCOc2c(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZBNLGCHZNHLA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1csc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCN4)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJBBZNUNZRBXFZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2ncnc3c2OCCN3)cc1)Nc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLMFJBQTCPFPD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)Nc1ccc(Nc2ncnc3c2OCCN3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKAYAKCPIVNWOR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(Nc2ncnc3c2OCCN3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKYBURENKRDKJ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCN4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHGQHCCOGVUPR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2ncnc3c2OCCN3)cc1)Nc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPYDRQMGOSWUKS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc2c(C)noc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZLGOWHAMWJFNY-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc2c(C)noc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSFPCLOQFRPFK-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1cc2c(C)noc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUEGWFKIDKMWPI-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFQAUCSWFFRJLI-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGOBCYGNLLNBEN-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVQSMAJTSMTSRZ-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWBFMPSEHFUHW-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIEZEFBPPKYYSN-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHEGOYPGDCZVFO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1S(=O)(=O)Nc1cc2c(C)noc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPPHYMOFKBDVFO-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHCHYRYDRUKYSE-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCDCIKJQLRLMLF-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOVARKNGGZWHEF-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(C)noc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAUWABLORTGTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOJVDOCGJOAAU-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMWRVIJDOWXPO-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQABXDNGCMQVEO-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(S(=O)(=O)Nc2cc3c(C)noc3cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNDCWZOTYLDTCC-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLLMTYSAWIGHRD-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVROGIGCRIMADC-UHFFFAOYSA-N", "SMILES:CCNC(=O)COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYWMERRGWYJRKY-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1OCC(=O)NCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BONQAYQBVVFMQB-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1OCC(=O)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQRWHBYHAONGNQ-UHFFFAOYSA-N", "SMILES:CCCOc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDMRSOSVHBPTI-UHFFFAOYSA-N", "SMILES:CCOc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGNGFGTOSOVPB-UHFFFAOYSA-N", "SMILES:COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVWBDPNOOAMAKK-UHFFFAOYSA-N", "SMILES:CNc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVANWEJRMUQPDF-UHFFFAOYSA-N", "SMILES:COc1cc2onc(C)c2cc1NS(=O)(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSBFYGLWIBEME-UHFFFAOYSA-N", "SMILES:COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQJZVWZPCHJLA-UHFFFAOYSA-N", "SMILES:COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Cl)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRCPXMMBDEGNO-UHFFFAOYSA-N", "SMILES:COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHXLVFUUGJTALC-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2ccc3onc(C)c3c2)nc2ccc(N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIHXZXSETXRMRN-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2cc(Br)c3onc(C)c3c2)nc2ccc(N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIMCRMQPPTKIF-UHFFFAOYSA-N", "SMILES:CCCCn1c(-c2ccc3onc(C)c3c2)nc2ccc(N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMPOTUZMZWTWBG-UHFFFAOYSA-N", "SMILES:CCCCn1c(-c2cc(Br)c3onc(C)c3c2)nc2ccc(N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZDCPIIUFFOAP-UHFFFAOYSA-N", "SMILES:COCCn1c(-c2ccc3onc(C)c3c2)nc2ccc(N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYMAGOAYISZNIA-UHFFFAOYSA-N", "SMILES:Cc1noc2ccc(-c3nc4ccc(N5CCOCC5)cc4n3CC3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNIBJPQZDALMW-UHFFFAOYSA-N", "SMILES:Cc1noc2c(Br)cc(-c3nc4ccc(N5CCOCC5)cc4n3CC3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTOMHWSGAGJKGZ-UHFFFAOYSA-N", "SMILES:CCC(C)n1c(-c2ccc3onc(C)c3c2)nc2ccc(N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXDMRRHYXQMMA-UHFFFAOYSA-N", "SMILES:Cc1noc2ccc(-c3nc4ccc(N5CCOCC5)cc4n3Cc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILNULXIVDYIGA-UHFFFAOYSA-N", "SMILES:Cc1noc2ccc(-c3nc4ccc(N5CCOCC5)cc4n3CC3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWOKCNGITTUDTF-UHFFFAOYSA-N", "SMILES:Cc1noc2c(Br)cc(-c3nc4ccc(N5CCOCC5)cc4n3CC3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYCNBHVRGVCHIQ-SFHVURJKSA-N", "SMILES:Cc1noc2ccc(-c3nc4ccc(N5CCOC[C@@H]5C)cc4n3CC3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMCPKZRMMCAJS-KRWDZBQOSA-N", "SMILES:Cc1noc2c(Br)cc(-c3nc4ccc(N5CCOC[C@@H]5C)cc4n3CC3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUEFTZJATDXOAK-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDVSMFZKYIAIX-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYZCYGGSVMERPT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2cc3c(C)noc3cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOPBLDARCSNDA-UHFFFAOYSA-N", "SMILES:Cc1cc2onc(C)c2cc1NS(=O)(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBCTAFYZZFUDX-UHFFFAOYSA-N", "SMILES:COCCn1c(-c2cc(Br)c3onc(C)c3c2)nc2ccc(N3CCOCC3)cc21"]}
{"name": "Histone-lysine N-methyltransferase ASH1L", "xref": ["CHEMBL.TARGET:CHEMBL3588739"], "id": "UniProtKB:Q9NR48", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRSMCYRNBQGZPF-SFHVURJKSA-N", "SMILES:CCOC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL306316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBLPRADOSQTNR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ccccc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSPJDJMBSYTAAA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ccc(Cl)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQTVGHKSNQXEJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ccc([N+](=O)[O-])cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUXGKUILZHFZMZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXCRISDLOLHQM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc3ccc(Cl)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYAVSOKLNYIJSU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3cccnc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVRBEXPZVHWNLE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ncccc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXKDRFDFQGJXIQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ncc(Cl)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGGRTPMBWISNV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ncc(Br)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJARIWMPADKIOR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ncc(I)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXROVRCLVSQDF-UHFFFAOYSA-N", "SMILES:Cc1cnc2nc(N3CCN(C)CC3)c3nncn3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLPXOBUJFBVNW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ncc(C(F)(F)F)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVNTCSNXMQVCT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ncc(C#N)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYRLDCFZZRCYHU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3nc(Cl)c(Cl)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBHCQEPPGQIINH-UHFFFAOYSA-N", "SMILES:CCOc1nc2nc(N3CCN(C)CC3)c3nncn3c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRLMVIXUGRZJU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3nc(OCC(F)(F)F)c(Cl)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKWNLJXOJLGIA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3nc(C#N)c(Cl)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPVFFBPURHQLC-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cnc2nc(N3CCN(C)CC3)c3nncn3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVXMKQSOGUMXCY-UHFFFAOYSA-N", "SMILES:Clc1cnc2nc(N3CCNCC3)c3nncn3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLMVCNLOSRTGN-VIFPVBQESA-N", "SMILES:C[C@H]1CN(c2nc3ncc(Cl)cc3n3cnnc23)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HURMPUPQNGGCEV-QMMMGPOBSA-N", "SMILES:C[C@H]1CN(c2nc3ncc(Cl)cc3n3cnnc23)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLSIRSPTBSKMDP-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2nc3ncc(Cl)cc3n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPTSSSOPRLTPQF-SNVBAGLBSA-N", "SMILES:CN(C)[C@@H]1CCN(c2nc3ncc(Cl)cc3n3cnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AALXPCRBVDDIHT-SECBINFHSA-N", "SMILES:CN[C@@H]1CCN(c2nc3ncc(Cl)cc3n3cnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFUSIFHDFKEEM-MRVPVSSYSA-N", "SMILES:N[C@@H]1CCN(c2nc3ncc(Cl)cc3n3cnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQCMTPWHZVXMN-UHFFFAOYSA-N", "SMILES:CN(C)C1CN(c2nc3ncc(Cl)cc3n3cnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIWASHXVJIOYQI-UHFFFAOYSA-N", "SMILES:CNC1CN(c2nc3ncc(Cl)cc3n3cnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRGIIIWIMGJNML-UHFFFAOYSA-N", "SMILES:NC1CN(c2nc3ncc(Cl)cc3n3cnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOWOZQMEPXBKTA-UWVGGRQHSA-N", "SMILES:CN1C[C@@H]2C[C@H]1CN2c1nc2ncc(Cl)cc2n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBSWCUGMJBYTB-IUCAKERBSA-N", "SMILES:Clc1cnc2nc(N3C[C@@H]4C[C@H]3CN4)c3nncn3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFIGHQVVHSIJW-UHFFFAOYSA-N", "SMILES:Clc1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAXUIZVKVLIYLB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ncc(Cl)cc3c3ncnn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCTNQWHKGUJFEH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ncc(Cl)cc3n3nnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPOGNINXKRNIAQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ncc(Br)cc3n3nnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUESIEDHNAEKDJ-UHFFFAOYSA-N", "SMILES:CNC1CN(c2nc3ncc(Cl)cc3c3ncnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZLFSXESWAMER-UHFFFAOYSA-N", "SMILES:CNC1CN(c2nc3ncc(Cl)cc3n3nnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGICUHMULRYIQ-UHFFFAOYSA-N", "SMILES:CNC1CN(c2nc3ncc(Br)cc3n3nnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZQINDPHHFTHS-FMNCTDSISA-N", "SMILES:COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649457", "category": ["biolink:ChemicalEntity"], "name": "UDIFITIMOD", "xref": ["InChIKey:QCMHGCDOZLWPOT-FMNCTDSISA-N", "SMILES:COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1"], "synonym": ["Udifitimod", "Udifitimod", "Udifitimod", "Bms-986166", "Udifitimod", "BMS-986166", "Udifitimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLBHSKRQFFMASC-CIAFOILYSA-N", "SMILES:COc1cc2nc(N/N=C3\\CCCc4cccnc43)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUCYWPKZJPHEF-ONNFQVAWSA-N", "SMILES:NC(=S)N/N=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEBLSLVQNCDJRA-UUILKARUSA-N", "SMILES:COc1cc(/C=N/NC(N)=S)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZYEVUULJYREI-WLRTZDKTSA-N", "SMILES:COc1cc(Br)c(/C=N/NC(N)=S)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYAFJGJCMOOSL-QLKAYGNNSA-N", "SMILES:COc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEEVFFOEEWVLGF-LNKIKWGQSA-N", "SMILES:COc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVJPDWINGIWZBH-OQLLNIDSSA-N", "SMILES:Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWYAETRKXIWVOV-RQZCQDPDSA-N", "SMILES:COc1ccc(/C=N/NC(=S)Nc2ccccc2)c(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDSOYNRDSIBNOF-REZTVBANSA-N", "SMILES:Oc1cc(/C=N/NC(=S)Nc2ccccc2)c(Br)c(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCGKADGMNEPKY-DJKKODMXSA-N", "SMILES:COc1cc(/C=N/NC(=S)Nc2ccccc2)c(Br)c(Br)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNVUEMNVWYDXBC-MKMNVTDBSA-N", "SMILES:CNC(=S)N/N=C/c1cc(Br)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFIHQZMJHQHEV-SRZZPIQSSA-N", "SMILES:CCOC(=O)c1ccc(NC(=S)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLQCKDZZPPMBP-SRZZPIQSSA-N", "SMILES:COc1cc(/C=N/NC(=S)NCCCN2CCOCC2)c(Br)c(Br)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSONUKIMFGJGMP-DNTJNYDQSA-N", "SMILES:COc1cc(/C=N/NC(=S)Nc2ccc(F)cc2)c(Br)c(Br)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWWCPTJDCGETQL-LSHDLFTRSA-N", "SMILES:CCOC(=O)c1ccc(NC(=S)N/N=C/c2cc(OC)c(OC)c(Br)c2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRPHSIABXQRMDK-AAFJCEBUSA-N", "SMILES:CC(OC(=O)N1CCN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)C[C@H]1C)OC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUBKROAZHFIRK-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1C(=O)OCOC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOGRORUDDAFSD-AAFJCEBUSA-N", "SMILES:CC(OC(=O)C(C)C)OC(=O)N1CCN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLTRTVBDRKHOKM-OAHLLOKOSA-N", "SMILES:CC(C)C(=O)OCOC(=O)N1CCN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJTGHARCXAMOKA-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAKJYIRTTUUJR-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1C(=O)OCC(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQGUCKBXHUFCIA-OAHLLOKOSA-N", "SMILES:CC(C)COC(=O)N1CCN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAHOBWOIJTXCRZ-CQSZACIVSA-N", "SMILES:CC(C)OC(=O)N1CCN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVWQQPHRUJWUSO-CYBMUJFWSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEBCQLDGXKNHCF-GFCCVEGCSA-N", "SMILES:COC(=O)N1CCN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZTURNQWPRGPY-RFVHGSKJSA-N", "SMILES:C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMWUMVBMYLHFC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2noc(C(F)(F)F)n2)ccc1OCCCc1cc(C(=O)N(C)C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLDUZLDZBVOAS-QFIPXVFZSA-N", "SMILES:COc1ccc(C(OCCN2CCC[C@H](C(=O)O)C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMXCWRTQWGABQ-QHCPKHFHSA-N", "SMILES:COc1ccc(C(OCCN2CCC[C@H](C(=O)O)C2)(c2ccc(OC)cc2)c2ccc(OC)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYNFMYTOJXKLE-UHFFFAOYSA-N", "SMILES:NCC(O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4795098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRKZXSPGIZNOA-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCc1ccccc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIMBHRRVMFBCK-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCc1ccccc1Cl)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOJVOPKIWFIMR-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCc1ccc(Cl)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNUIURWTSORDDN-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCc1ccc(F)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWFMUQDCDWPCRS-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CCO)N(C)CCC=C(c2sccc2C)c2sccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKYJVGAZYRRULZ-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCc1ccc(F)cc1F)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNGOMOWBFZWCG-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCCc1ccc(F)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWSWUQYJIZBHSI-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NC(C)c1ccccc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYGJFSPUYSUFIT-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)N1CCOCC1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUUMBPFQFBEEL-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CC(C)O)C(=O)NCc1ccccc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSXIADRXIILVAE-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CC(C)O)C(=O)NCc1ccccc1Cl)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLGKWBVRCUZNJF-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CC(C)O)C(=O)NCc1ccc(Cl)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJMHAKIVRBTXAJ-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CC(C)O)C(=O)NCc1ccc(F)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPFFCOBMMTWNP-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CC(C)O)N(C)CCC=C(c2sccc2C)c2sccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFCRYPYOVFYCOT-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCN)C(=O)NCc1ccccc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKGISPNJFYJKR-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCN)C(=O)NCc1ccccc1Cl)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSSIARMOAYIHEQ-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCN)C(=O)NCc1ccc(Cl)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXHIRFLEBLEFNZ-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CCN)C(=O)NCc1ccc(F)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQVQICEOCLXMK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CCN)N(C)CCC=C(c2sccc2C)c2sccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYIMWNNOGMXRCA-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccccc1Cl)N(C)CCC=C(c1sccc1C)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMFBUKBVLSLJJ-ZMOGYAJESA-N", "SMILES:O=C(O)C1=CCCN(CCO/N=C/c2ccccc2-c2ccc(Cl)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSVCZCXAODYZGE-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CO)C(=O)NCc1ccccc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHSIWSIFOPOKF-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CO)C(=O)NCc1ccccc1Cl)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABCOXFZLVZQIL-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CO)C(=O)NCc1ccc(Cl)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHYAWPUHDPARD-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CO)C(=O)NCc1ccc(F)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDDHOAMFYMNLN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CO)N(C)CCC=C(c2sccc2C)c2sccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBIJKNQBLOSRQH-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C(CO)C(=O)NCc1ccc(C(F)(F)F)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGNKGXSCJMQFX-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)C1CCc2onc(O)c2C1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABCOXFZLVZQIL-JOCHJYFZSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)[C@H](CO)C(=O)NCc1ccc(Cl)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIMBHRRVMFBCK-HSZRJFAPSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)[C@H](CCO)C(=O)NCc1ccccc1Cl)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZJQCUMSHCBUKK-UHFFFAOYSA-N", "SMILES:CN(CCC=C(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGNKGXSCJMQFX-MRXNPFEDSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)[C@@H]1CCc2onc(O)c2C1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGNKGXSCJMQFX-INIZCTEOSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)[C@H]1CCc2onc(O)c2C1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLDUZLDZBVOAS-JOCHJYFZSA-N", "SMILES:COc1ccc(C(OCCN2CCC[C@@H](C(=O)O)C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMXCWRTQWGABQ-HSZRJFAPSA-N", "SMILES:COc1ccc(C(OCCN2CCC[C@@H](C(=O)O)C2)(c2ccc(OC)cc2)c2ccc(OC)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOFGZEWPLABWQJ-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(-c3cccs3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECYZEOJVXMISF-UHFFFAOYSA-N", "SMILES:NCC(N)C(=O)O"], "chembl_natural_product": true}
{"name": "Sodium- and chloride-dependent GABA transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL4535"], "id": "UniProtKB:Q9NSD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIMBHRRVMFBCK-QHCPKHFHSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)[C@@H](CCO)C(=O)NCc1ccccc1Cl)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABCOXFZLVZQIL-QFIPXVFZSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)[C@@H](CO)C(=O)NCc1ccc(Cl)cc1)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHAPGQGRXCYODV-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(CP(=O)(OC)OC)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZXSGTBXSJOYHB-UHFFFAOYSA-N", "SMILES:COP(=O)(Cc1ccc(Nc2ncc3scc(-c4ccccc4C(C)=O)c3n2)cc1)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBZBSMHARCCEN-UHFFFAOYSA-N", "SMILES:COP(=O)(Cc1ccc(Nc2ncc3scc(-c4cccc(C(C)=O)c4)c3n2)cc1)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLCWPFXUYSEQSK-UHFFFAOYSA-N", "SMILES:COP(=O)(Cc1ccc(Nc2ncc3scc(-c4cccc(S(C)(=O)=O)c4)c3n2)cc1)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUXJDBBUCSJAIF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2csc3cnc(Nc4ccc(CP(=O)(OC)OC)cc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZINRIRASSKZQD-UHFFFAOYSA-N", "SMILES:COP(=O)(Cc1ccc(Nc2ncc3scc(-c4cccc(NC(C)=O)c4)c3n2)cc1)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFFTYVJNHHBFRD-UHFFFAOYSA-N", "SMILES:COP(=O)(Cc1ccc(Nc2ncc3scc(-c4cccc(N(C)S(C)(=O)=O)c4)c3n2)cc1)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABQWGAOUIPZCT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc3cnc(Nc4ccc(CP(=O)(OC)OC)cc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFGHJSVCIICMO-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cc1ccc(Nc2ncc3scc(-c4ccccc4OC)c3n2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGVHNNCSQFDDF-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cc1ccc(Nc2ncc3scc(-c4ccccc4OC)c3n2)cc1)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INDQJKBAPRKZIB-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(O)c1ccc(Nc2ncc3scc(-c4ccccc4OC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYFXTRYBRHBRT-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cc1ccc(Nc2ncc3scc(-c4ccccc4OC)c3n2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPPUDNFZYQCHLP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc3scc(-c4ccccc4OC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKPLONCDDRXSLC-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBGLUQINWPUOOC-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(NC(=O)C4CCNCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPSCVKNVATZTE-INIZCTEOSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(NC(=O)[C@H]4CCCNC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPSCVKNVATZTE-MRXNPFEDSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(NC(=O)[C@@H]4CCCNC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSRLUNVDUOKSW-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(NC(=O)CN)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWYQSQHYOQZLGD-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUKLMBGZXHMYHP-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cc3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQTVICEMANNAC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CCNCC2)ccc1Nc1ncc2scc(-c3ccccc3OC)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPSYSFWHWLVLS-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)NC2CCNCC2)ccc1Nc1ncc2scc(-c3ccccc3OC)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPMZLFRZABUAK-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cc3C(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHLMMNCVSWYEIL-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASCPVWGAFCCXHP-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c(C)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSINXKFGITOLR-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CCNCC2)c(F)cc1Nc1ncc2scc(-c3ccccc3OC)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDWLTZQEUFLDQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3cc(F)c(C(=O)NC4CCNCC4)cc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEHAUZCQWPDUKE-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCOCC4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLODIUJHOYSQIR-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEAMQYNXJCDOO-HNNXBMFYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)N[C@H]4CCNC4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEAMQYNXJCDOO-OAHLLOKOSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)N[C@@H]4CCNC4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAPUNLAWHVALCP-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NCC4CCNCC4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXLFEKUTMACAU-MRXNPFEDSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC[C@@H]4CCCNC4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXLFEKUTMACAU-INIZCTEOSA-N", "SMILES:COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC[C@H]4CCCNC4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWQWAFWCHCIHEO-BQYQJAHWSA-N", "SMILES:O=C(NC/C=C/CN1CCN(c2ccccc2)CC1)Oc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMHUUXBXQCLMOK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2ccc(OC(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4117318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZXVJFWNYBRFY-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDNDGTZHSMYBCZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2ccc(OC(=O)NCCCCN3CCN(c4ccccc4)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMTMTGQSXHCSDK-VCHYOVAHSA-N", "SMILES:Cc1ccc(/C=N/Nc2nsc(Nc3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNVWFMOKMVPIR-VCHYOVAHSA-N", "SMILES:Cc1ccc(/C=N/Nc2nsc(Nc3ccc(Br)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBPWCZODUBCGD-GZTJUZNOSA-N", "SMILES:COc1ccc(Nc2nc(N/N=C/c3ccccc3)ns2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSBMJMXUWUEQJA-GZTJUZNOSA-N", "SMILES:Cc1ccc(Nc2nc(N/N=C/c3ccccc3)ns2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YORSYHLJNVXFMJ-UFFVCSGVSA-N", "SMILES:Cc1ccc(/C=N/Nc2nsc(Nc3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHGRGSNVYJQLTG-DJKKODMXSA-N", "SMILES:Cc1ccc(/C=N/Nc2nsc(Nc3ccc(Cl)cc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWFQDITZCYPNHS-WOJGMQOQSA-N", "SMILES:COc1ccc(Nc2nc(N/N=C/c3ccc(C)cc3)ns2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXXGTAMOOPBIHQ-KEBDBYFISA-N", "SMILES:FC(F)(F)c1ccc(Nc2nc(N/N=C/c3ccccc3)ns2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZYFEKSQDFEKD-LICLKQGHSA-N", "SMILES:Fc1ccc(Nc2nc(N/N=C/c3ccccc3)ns2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWPEJALVXNSRI-LICLKQGHSA-N", "SMILES:Brc1ccc(Nc2nc(N/N=C/c3ccccc3)ns2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTZIDWZACATRST-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZXGYCBSDJVQR-UHFFFAOYSA-N", "SMILES:Cn1cc(C#N)c2cc(-c3noc(=O)[nH]3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFZJGRVNJQTDP-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C#N)c2cc(-c3noc(=O)[nH]3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWACFCMYGVJKY-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(C#N)c2cc(-c3noc(=O)[nH]3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBOGUGFFSFLPT-UHFFFAOYSA-N", "SMILES:CC(C)CCn1cc(C#N)c2cc(-c3noc(=O)[nH]3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEKDQCPBLWLTA-UHFFFAOYSA-N", "SMILES:CC(C)=CCn1cc(C#N)c2cc(-c3noc(=O)[nH]3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQDFMRVXQMZCS-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CC2CC2)c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCGGKMVKHIBSQ-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C2CCCC2)c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPJYMRGPAPMSM-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CC2CCCCC2)c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJDAZGWHIBNVPY-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccccc2)c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSVFUSOEIPZTR-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccc(F)cc2)c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERGAORCSOJYKX-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccc(Cl)cc2)c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMUFQLWRWLXPL-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccc(Br)cc2)c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFVOTXWZINXJK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(C#N)c3cc(-c4noc(=O)[nH]4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPTVAPAZMDDSC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(C#N)c3cc(-c4noc(=O)[nH]4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFQWOTCJFVXOFG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Cn2cc(C#N)c3cc(-c4noc(=O)[nH]4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAZQHCYQYBESHL-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2cccc(F)c2)c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEWFAUFQUDHPP-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2cccc(Cl)c2)c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXIPNRZBGRSKD-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2cccc(Br)c2)c2ccc(-c3noc(=O)[nH]3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPMHERUQYWPNFV-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2cc(C#N)c3cc(-c4noc(=O)[nH]4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJSVMAOIMHCKR-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cc(C#N)c3cc(-c4noc(=O)[nH]4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPJVTXBXVRTNS-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C#N)c2ccc(-c3noc(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVWZNZKDBQVNQ-UHFFFAOYSA-N", "SMILES:CC(C)CCn1cc(C#N)c2ccc(-c3noc(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAVSTFEUBTVMF-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C2CCCC2)c2cc(-c3noc(=O)[nH]3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIWXPRCDNAANLF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(C#N)c3ccc(-c4noc(=O)[nH]4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSRXUOQWIIGCP-SNVBAGLBSA-N", "SMILES:Cn1cc(NC(=O)c2cnn3ccc(N4CCC[C@@H](N)C4)nc23)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFKFRFQBCEOIQ-SNVBAGLBSA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(N4CCC[C@@H](N)C4)nn23)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNYXDDGCGKZVTQ-SNVBAGLBSA-N", "SMILES:Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBUQGYHDQFQRH-SNVBAGLBSA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBUQGYHDQFQRH-JTQLQIEISA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(N[C@H]4CCCNC4)nn23)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JULGTIXGORJOCO-SECBINFHSA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCNC4)nn23)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEUOLGKRPCWHQ-LLVKDONJSA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCCNC4)nn23)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWRBKUADZPFNF-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(N4CCC(N)CC4)nn23)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHXQSZWUJSNAK-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(NCCN)nn23)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLQWMBFNBREEO-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(N4CCNCC4)nn23)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYICSGHBZSPGTK-SNVBAGLBSA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSMDVSUNHDWIPM-LLVKDONJSA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGVCDZRVOVCRN-SNVBAGLBSA-N", "SMILES:Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(C(N)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKYRSNMIDFZMKS-LLVKDONJSA-N", "SMILES:CCn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGIIALCBNXYJQ-GFCCVEGCSA-N", "SMILES:CC(C)n1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDEFHEGIVKDWLQ-CYBMUJFWSA-N", "SMILES:O=C(Nc1cn(C2CCNCC2)nc1C(F)(F)F)c1cnc2ccc(N[C@@H]3CCCNC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFIIXKQCFXIFN-CYBMUJFWSA-N", "SMILES:O=C(Nc1cn(C2CCOCC2)nc1C(F)(F)F)c1cnc2ccc(N[C@@H]3CCCNC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGTROFFOBFDVEX-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCCNC(=O)c2ccccc2)nc2ccccc21)Nc1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGARMIFJDJBAE-UHFFFAOYSA-N", "SMILES:O=C(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IALWXGWWWXEHBS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(C(=O)NCCc2nc3ccccc3n2CC(=O)Nc2ccc3c(c2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPTWQSPMIUUCE-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCNS(=O)(=O)c2ccccc2)nc2ccccc21)Nc1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUEOJNMLMFIUIJ-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCc3nc4ccccc4n3CC(=O)Nc3ccc4c(c3)CCC4)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMGXMCDXXGRPQ-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCNS(=O)(=O)c2cccnc2)nc2ccccc21)Nc1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUFMQLXKTUFMC-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCNCc2ccccc2)nc2ccccc21)Nc1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBQCSAABHRYJOG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccncc1)NCCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDIJDOKEQHBJGH-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCNCc2ccncc2)nc2ccccc21)Nc1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKXFMMMDLFPBJW-UHFFFAOYSA-N", "SMILES:CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDEHPUXSMJEQQW-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)N(C)CCc3nc4ccccc4n3CC(=O)Nc3ccc4c(c3)CCC4)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMDTPACNZUKIB-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCCNS(=O)(=O)c2ccccc2)nc2ccccc21)Nc1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRMXSNYQGICFO-UHFFFAOYSA-N", "SMILES:CN(CCCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCHMJRHAXMZRI-SOFGYWHQSA-N", "SMILES:COc1ccc2cccc(/C=C/c3n[nH]c(=O)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQHGZFATJNZST-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCc3nn(CCCc4ccccc4)c(=O)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFCFEKFFSVPDO-UHFFFAOYSA-N", "SMILES:CNc1nnc(CCc2c[nH]c3ccc(OC)cc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3580919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRCYFTXMWOJGMP-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMDPKVVUNFCGG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCc3nn(CC4CCC4)c(=O)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFGVNCVFVBJKLH-VOTSOKGWSA-N", "SMILES:COc1cc2cccc(/C=C/c3n[nH]c(=O)o3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOOIIBKKNHSDD-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CC(C)c3n[nH]c(=O)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTZLGFSNOPDVSN-SOFGYWHQSA-N", "SMILES:COc1ccc2c(c1)C(/C=C/c1n[nH]c(=O)o1)=CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHAXZNIVSDTLE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCc3nn(CC4CCCC4)c(=O)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNOYMDUUOYKFD-UHFFFAOYSA-N", "SMILES:CCCCCCCn1nc(CCc2c[nH]c3ccc(OC)cc23)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCAOWOJBFYEKNX-UHFFFAOYSA-N", "SMILES:CCCCCCn1nc(CCc2c[nH]c3ccc(OC)cc23)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBTKSZBUMSSJPQ-UHFFFAOYSA-N", "SMILES:CCCn1nc(CCc2c[nH]c3ccc(OC)cc23)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDLFQFAQPOYSJW-QPJJXVBHSA-N", "SMILES:C=CCNC(=O)/C=C/c1c[nH]c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWAYIDPXUATOJ-QPJJXVBHSA-N", "SMILES:C#CCNC(=O)/C=C/c1c[nH]c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMLVPVUAWFQXKW-QPJJXVBHSA-N", "SMILES:C#CCn1nc(/C=C/c2c[nH]c3ccc(OC)cc23)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBWWTUVCPDXVML-GORDUTHDSA-N", "SMILES:COc1ccc2[nH]cc(/C=C/c3n[nH]c(=O)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNENAVXBRJIOOI-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)Cn3cc(F)c(=O)[nH]c3=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGPVEUJQVQJOMI-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(F)c(=O)[nH]c1=O)Oc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYBQZROSNNJEH-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(-n3cc(Cn4cc(F)c(=O)[nH]c4=O)nn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEKYLVFVRSGPL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGMJHWZCRVOAEF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRVPIRSSDQSTA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJUNGDXRBYHHQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWEFZCUSVQHUAI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(O)c(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJSUFUDKGFKRQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccccc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHCRCIWZXNRZMQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccc(Cl)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDXBJPUGWRGSM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccc(F)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCLYQCVHSWMMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACNOHMVCYOORU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTOMBOQPSLELC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZVSKGLCVXEUBB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(Cn3cc(F)c(=O)[nH]c3=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTXXRWMSPYJIAY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-n2cc(Cn3cc(F)c(=O)[nH]c3=O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKUKGGDWNPMSII-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(Cn3cc(F)c(=O)[nH]c3=O)nn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZAQWWGBIFNKL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(Cn3cc(F)c(=O)[nH]c3=O)nn2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLIPEVXJLCHVGN-UHFFFAOYSA-N", "SMILES:NCCCNc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMUJHUKBFNKQX-UHFFFAOYSA-N", "SMILES:CCCNc1nc2ccccc2c2c(=O)c3cc(OC)ccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMOIPPJDWCJDDC-UHFFFAOYSA-N", "SMILES:COc1ccc2sc3c(NCCCN)nc4ccccc4c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXIDOEBWDLJPRM-UHFFFAOYSA-N", "SMILES:NCCCNc1nc2ccccc2c2c(=O)c3cccc(Cl)c3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYRVHIUYYGUEAM-UHFFFAOYSA-N", "SMILES:Cc1ccc2sc3c(NCCCN)nc4ccccc4c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPSMWFOJGOLKC-UHFFFAOYSA-N", "SMILES:NCCNc1nc2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRPDUXCCJOQFW-UHFFFAOYSA-N", "SMILES:NCCCNc1nc2ccccc2c2c(=O)c3cc(Cl)ccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLLOIPCEQJYJX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1"]}
{"name": "Methionine synthase", "xref": ["CHEMBL.TARGET:CHEMBL2150844"], "id": "UniProtKB:Q99707", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAJZRALOMAYDBC-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CBr)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADSIGKKKLHTOX-UHFFFAOYSA-N", "SMILES:CCc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUOKXYSJDNWQAB-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHBQHGYKVRZGN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJMDWWQXHBWCG-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(n1)CCC(CCc1ccc(F)cc1)N2C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYBPMFRTHNZMR-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(n1)CCC(CCc1ccc(Cl)cc1)N2C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWBTUCIOLOSAZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCC1CCc2nc(N)nc(N)c2N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNQPHXOODXODSW-UHFFFAOYSA-N", "SMILES:C=CCN1c2c(N)nc(N)nc2CCC1CCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZGHELQDKHCRB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBGQPJOXCYVDV-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(n1)CCC(CCc1ccccc1)N2C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUWUPOIDJTZRK-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRVOGVONFCJFJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBPXJEBBSWGBNH-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCC1CCc2nc(Cl)nc(N)c2N1C(=O)CCl"]}
{"name": "Aurora kinase A", "xref": ["CHEMBL.TARGET:CHEMBL2211"], "id": "UniProtKB:P97477", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Aurora kinase B", "xref": ["CHEMBL.TARGET:CHEMBL1075275"], "id": "UniProtKB:O70126", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKBADCPZJIWSRC-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1nc2ccc(-c3ccc4ncn(CCN5CCOCC5)c(=O)c4c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSOJMWRTJMDWFW-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1nc2ccc(-c3ccc4ncn(CCc5c[nH]c6ccccc56)c(=O)c4c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNXWURUUUVNKZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-n2cnc3c(N)nc(NCCCc4ccccc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSIGQAXQCUFILR-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-n2cnc3c(N)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFEKMILKFUVPPV-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-n2cnc3c(Cl)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEPGQFWBLATKB-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFNDLHUUVRPUCP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2c1NC(c1ccc(F)cc1)C1CC(Sc3ccccc3[N+](=O)[O-])C(Cl)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYBOOOGSOESAD-ZDLGFXPLSA-N", "SMILES:O=C(O)c1cc(-c2ccc(/C=C3\\Sc4ccccc4C3=O)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXWAUYMIPGHTD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2c1NC(c1cccc(Br)c1)C1CC(Sc3ccccc3[N+](=O)[O-])C(Cl)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWFYRKGVDZJMU-ZDLGFXPLSA-N", "SMILES:O=C(O)c1cc(-c2ccc(/C=C3\\Sc4ccccc4C3=O)o2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFQCYGMDGDPAI-UHFFFAOYSA-N", "SMILES:CC(C)C1Nc2c(C(=O)O)cccc2C2C(Cl)C(Sc3ccccc3[N+](=O)[O-])CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COGRKLXBUHSTNJ-UHFFFAOYSA-N", "SMILES:CCCC1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2C2C(Cl)C(Sc3ccccc3[N+](=O)[O-])CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJIPCHJNJKAHS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2c1NC(c1ccc(Cl)cc1Cl)C1CC(Sc3ccccc3[N+](=O)[O-])C(Cl)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1461928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLGIHOHYYUOEV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2c1NC(c1cccc([N+](=O)[O-])c1)C1CC(Sc3ccccc3[N+](=O)[O-])C(Cl)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1456068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVIWYDGUEMBIQR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEMPPDUIDFFHB-AATRIKPKSA-N", "SMILES:CCC1CCc2c(sc(NC(=O)/C=C/C(=O)O)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQTJYPQVUHOFMI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Sc1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKYIULIRTLREAV-BQYQJAHWSA-N", "SMILES:COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(C)c1-c1cc(C)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEJQKXRTFTBNH-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnns1)Nc1ccc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXCVUVMOWZKTI-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2c(C)[nH]c3ccc(C(=O)O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1489601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMWSISJSXIKRZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc(-c2ccccc2)cc1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQSKZKPXXVOXCZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C)c(CC(=O)Nc3ccc(Cn4cncn4)cc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSHWCROCQKCHCS-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLATVRWIMQNEFC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1"]}
{"name": "Receptor-type tyrosine-protein phosphatase O", "xref": ["CHEMBL.TARGET:CHEMBL4105749"], "id": "UniProtKB:Q16827", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYFSCYSDPQMEGZ-UHFFFAOYSA-N", "SMILES:Cl.Nc1cc(C(F)(F)F)cc2c1SSSSS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLNSQXDSIOHHO-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(c1ccc(-c2cccc(Cc3cc(Cl)c(Cl)cc3Cl)c2F)cc1)S(=O)(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHYKVKNPWDQSL-USCONSEESA-N", "SMILES:C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4073004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHYKVKNPWDQSL-URZJWIJPSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4788719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWUPMWHUANBXPB-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEPFPPVBQXPEK-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXBZPOHKHDSPD-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHIBUFBWWARJZ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVOJBOGCJJOHDR-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVGWQAHUAORDC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHUPAGPURNPZQQ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ncccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWVMNVJNAULYTI-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKUZIBLZMHUOD-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)C(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLPYPLOUBUDQFA-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRJQZFDJWXCRC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCc1ccccc1)CCN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHANUIZMJBMTFD-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHITXHQSAECLX-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMAEVNAPMRMOJ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCCCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWLQRWIOFTOMF-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(c2ccccc2)CC1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UESSJLRZWIBRSB-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(CCc2ccccc2)CC1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPUFSOTWZTLAJ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(CCCc2ccccc2)CC1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIPKXVUJNLWDTA-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJOFHXMRIILNX-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBITXDSUOFFKFC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSZGAJVMIUSKLW-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCCAGACKHOPDG-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccc(C)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJFOCOKRSGSTGO-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGWSIOKXWIRGGP-LDADJPATSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CCN(C)CC3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQZYICQLSYFMT-AREUYOMRSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CC[N+](C)(Cc4ccccc4)CC3)cc1)C2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIDQLBSJYTXEPY-RSOFWHLMSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CC[N+](C)(Cc4ccc(Br)cc4)CC3)cc1)C2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABCJHWVSAVSIFR-CFYFISJPSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CC[N+](C)(Cc4cccc(Br)c4)CC3)cc1)C2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQHJFIZHEURZFK-RSOFWHLMSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CC[N+](C)(Cc4ccccc4Br)CC3)cc1)C2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRNSSLCAMULTCN-CFYFISJPSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CC[N+](C)(Cc4cccc(Cl)c4)CC3)cc1)C2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZSJADIJADTYEP-RSOFWHLMSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CC[N+](C)(Cc4ccccc4Cl)CC3)cc1)C2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKTCTFMCEAUUJQ-BVXBIMGVSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CC[N+](C)(Cc4ccccn4)CC3)cc1)C2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADWKFKHYXANRV-NEMIEIFKSA-M", "SMILES:CCC[N+]1(C)CCN(c2ccc(/C=C3\\Cc4cc(OC)c(OC)cc4C3=O)cc2)CC1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRIXZTPEWPWMTQ-YHLMHSEJSA-M", "SMILES:CCCC[N+]1(C)CCN(c2ccc(/C=C3\\Cc4cc(OC)c(OC)cc4C3=O)cc2)CC1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDLRKDRMXACFHS-YFZNFVDXSA-M", "SMILES:CCCCC[N+]1(C)CCN(c2ccc(/C=C3\\Cc4cc(OC)c(OC)cc4C3=O)cc2)CC1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFUDWPHZBYWHO-NDUABGMUSA-M", "SMILES:CCCCCC[N+]1(C)CCN(c2ccc(/C=C3\\Cc4cc(OC)c(OC)cc4C3=O)cc2)CC1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLYSJISKZMJBCL-NEMIEIFKSA-M", "SMILES:C=CC[N+]1(C)CCN(c2ccc(/C=C3\\Cc4cc(OC)c(OC)cc4C3=O)cc2)CC1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYMAKNVLGUFKY-RANVTSCRSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N3CC[N+](C)(CCO)CC3)cc1)C2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCTFPYZRNPHIDK-CCEYPMHASA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(OCCN[N+]3(C)CCN(c4ccc(/C=C5\\Cc6cc(OC)c(OC)cc6C5=O)cc4)CC3)cc1)C2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOHMWGFSXCAZBO-ITBPEVLBSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(OCCCCN[N+]3(C)CCN(c4ccc(/C=C5\\Cc6cc(OC)c(OC)cc6C5=O)cc4)CC3)cc1)C2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKZDADNYZHVRD-DHUJRADRSA-N", "SMILES:Cc1cc(OCCCOc2ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c3ccc(NCCCc4ccccc4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKHBUMJJKENGP-BHVANESWSA-N", "SMILES:Cc1cc(OCCCCOc2ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c3ccc(NCCCc4ccccc4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPVZQXCMDVWTO-QNGWXLTQSA-N", "SMILES:Cc1cc(OCCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(=O)NS(=O)(=O)c3ccc(NCCCc4ccccc4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWJCOTMLPGJFHS-FAIXQHPJSA-N", "SMILES:Cc1ccc(CC(=O)N[C@@H](Cc2cc(Br)c(OCCOc3cccc4ccccc34)c(Br)c2)C(=O)NS(=O)(=O)c2ccc(NCCCc3ccccc3)c([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBAKMORIYDGOGG-FAIXQHPJSA-N", "SMILES:Cc1ccc(CC(=O)N[C@@H](Cc2cc(I)c(OCCOc3cccc4ccccc34)c(I)c2)C(=O)NS(=O)(=O)c2ccc(NCCCc3ccccc3)c([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGFZDSHMCVZQL-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(OCCCCN3CCN(Cc4ccccc4)CC3)cc2)oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTMOJNLZGRDYEX-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(OCCCCN3CCC(Cc4ccccc4)CC3)cc2)oc2cc(OCCCCN3CCC(Cc4ccccc4)CC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXCNTICEBIQKR-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(OCCCCN3CCc4ccccc4C3)cc2)oc2cc(OCCCCN3CCc4ccccc4C3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKRKOVDOXDQDL-UHFFFAOYSA-N", "SMILES:CCN(CCCCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCN(CC)Cc4ccccc4)cc3o2)cc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOHPLFZBNPLYPB-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(OCCCCN3CCC(Cc4ccccc4)CC3)cc2)Oc2cc(OCCCCN3CCC(Cc4ccccc4)CC3)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFEIKLDRXMJARP-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(OCCCCN3CCN(Cc4ccccc4)CC3)cc2)Oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERDJUBMBLYNCC-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(OCCCCN3CCc4ccccc4C3)cc2)Oc2cc(OCCCCN3CCc4ccccc4C3)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJJUATUWWQTAO-UHFFFAOYSA-N", "SMILES:CCN(CCCCOc1ccc(C2CC(=O)c3c(O)cc(OCCCCN(CC)Cc4ccccc4OC)cc3O2)cc1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJYHXFQKEQRPEC-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(OCCCCN3CCC(Cc4ccccc4)CC3)cc2)coc2cc(OCCCCN3CCC(Cc4ccccc4)CC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHDOYWEDATPEW-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(OCCCCN3CCN(Cc4ccccc4)CC3)cc2)coc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKOIPODBGJKFGU-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(OCCCCN3CCc4ccccc4C3)cc2)coc2cc(OCCCCN3CCc4ccccc4C3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGSKVGZCUKOSW-UHFFFAOYSA-N", "SMILES:CCN(CCCCOc1ccc(-c2coc3cc(OCCCCN(CC)Cc4ccccc4)cc(O)c3c2=O)cc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGXSCBBSDIABRW-UHFFFAOYSA-N", "SMILES:CC1c2ccccc2CCN1CCCCOc1ccc(-c2coc3cc(OCCCCN4CCc5ccccc5C4C)cc(O)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIOPWDAUYNQNRM-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(OCCCCN3CCCCC3)cc2)coc2cc(OCCCCN3CCCCC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQRMGWDMAUSJK-LVZFUZTISA-N", "SMILES:O=C(/C=C/c1ccc(OCCCCN2CCC(Cc3ccccc3)CC2)cc1)c1c(O)cc(OCCCCN2CCC(Cc3ccccc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYFRMBBCHEZMZ-DARPEHSRSA-N", "SMILES:CCN(CCCCOc1ccc(/C=C/C(=O)c2c(O)cc(OCCCCN(CC)Cc3ccccc3OC)cc2O)cc1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDYTEFXMPXJIS-DTQAZKPQSA-N", "SMILES:O=C(/C=C/c1ccc(OCCCCN2CCCCC2)cc1)c1c(O)cc(OCCCCN2CCCCC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOSSCOVDLSVVJA-SDNWHVSQSA-N", "SMILES:O=C(/C=C/c1ccc(OCCCCN2CCCC2)cc1)c1c(O)cc(OCCCCN2CCCC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHSLHAXPVLHBD-OBGWFSINSA-N", "SMILES:CCN(CC)CCCCOc1ccc(/C=C/C(=O)c2c(O)cc(OCCCCN(CC)CC)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVFRZMQURRQIE-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C(=O)Cc2cccs2)c2cc(OC)c(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWNCLLUJRRPFV-YLLYDAKKSA-N", "SMILES:O=C(NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)c1cc(C(=O)NC(COCc2cn(CCOCCOc3ccc(-c4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)(COCc2cn(CCOCCOc3ccc(-c4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)COCc2cn(CCOCCOc3ccc(-c4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)cc(C(=O)NC(COCc2cn(CCOCCOc3ccc(-c4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)(COCc2cn(CCOCCOc3ccc(-c4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)COCc2cn(CCOCCOc3ccc(-c4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWNCLLUJRRPFV-RHGLHORDSA-N", "SMILES:O=C(NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)c1cc(C(=O)NC(COCc2cn(CCOCCOc3ccc(-c4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)(COCc2cn(CCOCCOc3ccc(-c4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)COCc2cn(CCOCCOc3ccc(-c4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)cc(C(=O)NC(COCc2cn(CCOCCOc3ccc(-c4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)(COCc2cn(CCOCCOc3ccc(-c4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)COCc2cn(CCOCCOc3ccc(-c4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULCQBQQZAQOXJM-MCIONIFRSA-N", "SMILES:COc1ccc(-c2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFKARSAQDWOGOR-GBEFMBCFSA-N", "SMILES:NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNNPBCPMIVSJCP-QJQYWXOKSA-N", "SMILES:O[C@@H]1[C@H](O)CN[C@@H]1Cn1cc(-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(-c6cn(C[C@H]7NC[C@@H](O)[C@H]7O)nn6)cc5)nn4)(COCc4cn(COCCOc5ccc(-c6cn(C[C@H]7NC[C@@H](O)[C@H]7O)nn6)cc5)nn4)COCc4cnnn4CCOCCOc4ccc(-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)cc4)nn3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWAPRABGKDDJFP-KNCVKOLQSA-N", "SMILES:O=C(CCCCC(=O)NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNNPBCPMIVSJCP-RAVVQHNTSA-N", "SMILES:O[C@@H]1[C@H](O)CN[C@H]1Cn1cc(-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(-c6cn(C[C@@H]7NC[C@@H](O)[C@H]7O)nn6)cc5)nn4)(COCc4cn(COCCOc5ccc(-c6cn(C[C@@H]7NC[C@@H](O)[C@H]7O)nn6)cc5)nn4)COCc4cnnn4CCOCCOc4ccc(-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)cc4)nn3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWAPRABGKDDJFP-RSAKQLFTSA-N", "SMILES:O=C(CCCCC(=O)NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFKARSAQDWOGOR-GUHODPNCSA-N", "SMILES:NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULCQBQQZAQOXJM-MJBXVCDLSA-N", "SMILES:COc1ccc(-c2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKHNHXVPPORJPS-OTIYRZJJSA-N", "SMILES:O=C(CCCCC(=O)NC(COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)NC(COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMYLZGURDJOAK-SIBAKFCOSA-N", "SMILES:O[C@@H]1[C@H](O)CN[C@H]1Cn1cc(CCCn2cc(COCC(COCc3cn(CCCc4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)nn3)(COCc3cn(CCCc4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)nn3)COCc3cn(CCCc4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)nn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCDYRVHMNRRUOD-AEJSXWLSSA-N", "SMILES:CCCc1cn(C[C@@H]2NC[C@@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPPFXCKDEUEEGW-DSFSATKBSA-N", "SMILES:NC(COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMYLZGURDJOAK-VOTRMNLPSA-N", "SMILES:O[C@@H]1[C@H](O)CN[C@@H]1Cn1cc(CCCn2cc(COCC(COCc3cn(CCCc4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)nn3)(COCc3cn(CCCc4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)nn3)COCc3cn(CCCc4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)nn3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUZFACDQMBBDEZ-NVWCLSSGSA-N", "SMILES:O[C@H]1[C@@H](O)CN[C@@H]1Cn1cc(COCC(COCc2cn(C[C@H]3C[C@@H](O)[C@@H](O)N3)nn2)(COCc2cn(C[C@H]3NC[C@H](O)[C@@H]3O)nn2)COCc2cn(C[C@H]3NC[C@H](O)[C@@H]3O)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPPFXCKDEUEEGW-DGKLZRGCSA-N", "SMILES:NC(COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHQMWBJSWNYRKG-PDKMCVCWSA-N", "SMILES:O=C(NC(COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)c1cc(C(=O)NC(COCc2cn(CCCc3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)nn2)(COCc2cn(CCCc3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)nn2)COCc2cn(CCCc3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)nn2)cc(C(=O)NC(COCc2cn(CCCc3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)nn2)(COCc2cn(CCCc3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)nn2)COCc2cn(CCCc3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRBOWQWOZAWAHQ-FDMHHSCBSA-N", "SMILES:O=C(NC(COCc1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1)(COCc1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1)COCc1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1)c1cc(C(=O)NC(COCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)(COCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)COCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)cc(C(=O)NC(COCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)(COCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)COCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKHNHXVPPORJPS-OBLOVVSZSA-N", "SMILES:O=C(CCCCC(=O)NC(COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)NC(COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNKZUIHHGZDMT-MUJKREFXSA-N", "SMILES:O=C(CCCCC(=O)NC(COCc1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1)(COCc1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1)COCc1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1)NC(COCc1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1)(COCc1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1)COCc1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHVSPTQYXKYRRH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccccc3)ccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDVUSWWKCZZOPO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMVVWJWKDSLGJ-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVTLZLSEAFFVQW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3cccc(Cl)c3)ccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDCZSYQAVQEPS-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccccc3Cl)ccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEBDTLNMVKZFRC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSWEHGPONOFLF-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVFWVYMGEIBQMR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHDUNCJEUCFKN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccccc3F)ccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZPNDRAJSSSGPL-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKZYTUPMGUCDP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVUDVYKBKFKRL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3cccc(C(F)(F)F)c3)ccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSKTCXMDQFURH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccc(Cl)cc3)ccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJHDMHFDQUTII-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRZGSQLQPWVJK-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccncc3)ccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGACHWPRSSQBRX-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWVHTMDIWNFNQO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(NC(=O)CCCC(=O)NO)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUZCSPLBDPMTN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(NC(=O)CCCCC(=O)NO)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERLFDFPFJEQDF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(NC(=O)CCCCCC(=O)NO)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMGPDPLGCBZOBU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(NC(=O)C4CCC(C(=O)NO)CC4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOASUWXLPXZDDR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKKGFQMLMVZBD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXLRAYMDUWMRT-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n2cc(C(C)(C)C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKZMBKARUPDQST-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGRGNHPTHJFAA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPWEFNSVFGHES-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(C(=O)N2CCC(Nc3ncnc4[nH]ncc34)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYCBSYYYHHXFR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOTUDEUQVXUYRE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMUOJSNRLZUWAJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cl)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQGIHQBPBOAMOP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Br)cc1)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDYNZNUFZDHQFR-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1Cl)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSKLMPJUIOPCFL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)N2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVERZIOZCUIDLP-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDHMCFSFCYERL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVUULYDGMNRVJT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUUMPFNISYDAAW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONQVYHGUJLVSRR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOJLDBGDGYRCS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWCSTXRJBDDHK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMPYZCXKFXXOE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAAJZIERJKCRC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1Cl)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVQQGSPKNUVJJY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVEJNHMRONFOEY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)N2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBCCKKUUDQTHG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=S)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPROUEZENCFSHI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)N2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUPPJUJSKAITSR-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccccc1Cl)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYGSLCFDTOESHJ-UHFFFAOYSA-N", "SMILES:S=C(Nc1cccc(Cl)c1)N1CCC(Nc2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKQIPNZXUROOPN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NC(=S)N2CCC(Nc3ncnc4[nH]ncc34)CC2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMFSFHYJWBIAKZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEVMOLTVQXGHFY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)NC1CCN(c2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXIXOEBVFYUAGA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(C(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTUJQZPHJDCRB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCAJLCINPCOAA-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(c2ncnc3[nH]ncc23)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZNDEDONZAXBGO-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(c2ncnc3[nH]ncc23)CC1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLHLVJUCXLMBGG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(c2ncnc3[nH]ncc23)CC1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTNKEYUBTPOCKK-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(c2ncnc3[nH]ncc23)CC1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUJFPWOTFMDTOU-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(c2ncnc3[nH]ncc23)CC1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBFTJRDRNGBEA-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(c2ncnc3[nH]ncc23)CC1)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKKHLWUZFUWSE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDLIVARGZZCQNA-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)NC1CCN(c2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZZRPUEUFDWPZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NC2CCN(c3ncnc4[nH]ncc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBGBHUHIDIILNM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1CCN(c2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMEHBAUWUIJIRP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQQDBGZFUMHFCT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)NC1CCN(c2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNVIXMGBNRDRP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)NC1CCN(c2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYZAAHRIFKSEDJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(c2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYYOWRBJNSBLW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)NC1CCN(c2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUGNCJQOQZVJW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCN(c2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUMGAOBZDTXBW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ccccc12)NC1CCN(c2ncnc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWAFTKVJKWUXNJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHIWEJLJQXJSA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc(Cl)s1)N1CCN(c2cnc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDIDMHALYFMVFV-BGBJRWHRSA-N", "SMILES:O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/Nc2ccc(O)cc2/C1=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUGFMJRKZPUIE-HPBPSMLHSA-N", "SMILES:O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/Nc2ccc(O)cc2/C1=N\\OCCBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJPMLNVIWPVCN-UFJWZKLXSA-N", "SMILES:Cl.O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/Nc2ccc(O)cc2/C1=N\\OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBXDQOTFACIOC-GMNPBYEVSA-N", "SMILES:CN1CCN(CCO/N=C2C(=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)/Nc3ccc(O)cc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRWRCDVNTWOEGY-GIFMOVFGSA-N", "SMILES:Cl.O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/Nc2ccc(O)cc2/C1=N\\OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMYPNWTLDTMRP-WCFRLSLOSA-N", "SMILES:Cl.O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/Nc2ccc(F)cc2/C1=N\\OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVZPCYVUXZGAF-XUAPAYBYSA-N", "SMILES:CN1CCN(CCO/N=C2C(=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)/Nc3ccc(F)cc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDIKKQXRSWVBJ-UFJWZKLXSA-N", "SMILES:Cl.O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLSMCRKWCCIPMB-FTTHSHLESA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccc(F)cc2/C1=N\\OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMQNMUGTLRPCMN-RNYQJTIOSA-N", "SMILES:CN1CCN(CCO/N=C2C(=C3/C(=O)Nc4ccc(F)cc43)/Nc3ccc(F)cc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWRSDSQOUDBRDW-ODQYVTNBSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccc(F)cc2/C1=N\\OCCNC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZBRQBMKPGPEKP-WCFRLSLOSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccc(F)cc2/C1=N\\OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQQPYKMIWVZSIS-RNYQJTIOSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccc(F)cc2/C1=N\\OCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWAZUISOENCUAS-WCFRLSLOSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccc(F)cc2/C1=N\\OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBWCJJMWLQUOQ-WCFRLSLOSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPMQYWIGSPRPOU-XUAPAYBYSA-N", "SMILES:CN1CCN(CCO/N=C2C(=C3/C(=O)Nc4ccc(F)cc43)/Nc3ccccc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPAJRICWTGADJC-MJDDTXSZSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCCNC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAMOSZBHNIRDQ-XUAPAYBYSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQMSXRAVOLFQS-UFJWZKLXSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZIUBNNWTVBYFM-UFJWZKLXSA-N", "SMILES:Cl.O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWTGYHZPTSMGIU-RNYQJTIOSA-N", "SMILES:Cl.O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\OCCNC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDRMVDBAOYHQY-GMNPBYEVSA-N", "SMILES:Cl.O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBOAXNGLNMQJGD-GIFMOVFGSA-N", "SMILES:Cl.O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSGKTYWZYPIAG-XUAPAYBYSA-N", "SMILES:COc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\\OCCN1CCNCC1)C(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGIPOLVODRMFV-OJTYZWMYSA-N", "SMILES:COc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\\OCCN1CCN(C)CC1)C(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZPXDCOVBAWEH-YEUVAOSHSA-N", "SMILES:Cl.O=C1Nc2ccc(OC(F)(F)F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMVWKLEQGJGAP-ODQYVTNBSA-N", "SMILES:CN1CCN(CCO/N=C2C(=C3/C(=O)Nc4ccc(OC(F)(F)F)cc43)/Nc3ccccc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHKOKFHTWVYTJK-NXGRKYSHSA-N", "SMILES:COC(=O)c1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\\OCCN1CCNCC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAIWQMXHIQDCFT-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWSRDYNJBCUCF-UHFFFAOYSA-N", "SMILES:CCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKJDNODIONCHZ-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(C(=O)OC)cccc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHTAGKNJGMRNHC-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(C(=O)O)cccc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMIPEHPVNYEOFY-MSLLRLGPSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](c4ccccc4)c4ncccc4N[C@@H]3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOTILRHHXDPEQX-WDDWZANVSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](c4ccccc4)c4nc(Br)ccc4N[C@@H]3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMAHNWGKJUUEC-MXSCXNJPSA-N", "SMILES:COc1ccc2c(n1)[C@@H](c1ccccc1)[C@@H]1CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3[C@H]1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVFJONBDXSUPI-UCGXPXSYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](c4ccccc4)c4nccc(Br)c4N[C@@H]3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBAOBANGACSFK-KKUQBAQOSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2C(=O)[C@H]3[C@H](c4ccccc4)c4ncccc4N[C@@H]3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSYHHODBNDVWSA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2Cc3c(nc4cccnc4c3-c3ccccc3)-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCCKKWSFKQJTGZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(c(-c4ccccc4)c2n1)CN(S(=O)(=O)c1ccc(C)cc1)c1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHDFIIJHMRUYMZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2Cc3c(nc4ccc(Br)nc4c3-c3ccccc3)-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATIRDZKIFYCTL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2Cc3c(nc4c(Br)ccnc4c3-c3ccccc3)-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBEUWSXEGBBHIB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(=O)c3c(-c4ccccc4)c4ncccc4nc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHDIHUWQQFSOQ-FFZOFVMBSA-N", "SMILES:c1ccc([C@@H]2c3ncccc3N[C@@H]3c4ccccc4NC[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMIZYXOCWOEOK-RYGJVYDSSA-N", "SMILES:Brc1ccc2c(n1)[C@@H](c1ccccc1)[C@@H]1CNc3ccccc3[C@H]1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQYCTLSWCZSZBJ-HMUYFDHHSA-N", "SMILES:COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVZPTQXGZKJHGH-XBXARRHUSA-N", "SMILES:COc1cc(/C=C(\\C#N)C(=O)Nc2nnc(C(F)(F)F)s2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJWCSFONALRKQ-BJMVGYQFSA-N", "SMILES:COc1cc(/C=C(\\C#N)C(=O)Nc2nnc(C)s2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QETDAIRBSSGKBC-YRNVUSSQSA-N", "SMILES:COc1cc(/C=C(\\C#N)C(=O)Nc2nnc(C(C)(C)C)s2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOTWDUPCILVATH-XBXARRHUSA-N", "SMILES:COc1cc(/C=C(\\C#N)C(=O)Nc2nnc(Br)s2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDBZMBOOPBRGH-XVNBXDOJSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1nnc(C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQXRVDCNDXEFN-RUDMXATFSA-N", "SMILES:Cc1nnc(NC(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZONJBKAANLPU-XVNBXDOJSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1nnc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIMUAWCQKIPOY-XVNBXDOJSA-N", "SMILES:N#C/C(=C\\c1ccc(O)c(Br)c1)C(=O)Nc1nnc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSVLYSVQYRXHB-IZZDOVSWSA-N", "SMILES:COc1cc(/C=C(\\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJFGQFJVAPMCHZ-XYOKQWHBSA-N", "SMILES:COc1cc(/C=C(\\C#N)C(=O)Nc2ccccc2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZDQDPKZQDWCOF-UHFFFAOYSA-N", "SMILES:O=C(CCNCc1ccc(-c2ccccc2)c(Cl)c1)NCCC(=O)Nc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREPQONJBLLBAO-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OS(=O)(=O)C3CC4OC3C(c3ccc(O)cc3)=C4c3ccc(O)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCYSQXRBFKRLP-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccc(F)n1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGHHYAZLKVMPZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccc(Cl)n1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXFPNROLGTXAH-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccc(Br)n1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHAONCWEQZRCBC-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccnc1Cl)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZKYDDIASBEKJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccc2ccccc12)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCESCPFKWAIDJB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc2ccccc2c1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNDVTGUQWRPXNH-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccc2cccnc12)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWPLTRTMAJCIU-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)C3CC4OC3C(c3ccc(O)cc3)=C4c3ccc(O)cc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYGWIYRXGHPGJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccnc1Br)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGVWBOBGLPREJY-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cncc(F)c1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARLXMPYYJPCKSF-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cncc(Cl)c1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZIQZJDOFCLOHY-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cncc(Br)c1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOWGMOBERRABOT-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1NS(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZRPJWOZHQAVRU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NS(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEEFLXCRKADRCQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NS(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZXTFAGSBEZPM-UHFFFAOYSA-N", "SMILES:O=C(Oc1cccnc1Cl)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMUXVIIWFHUID-UHFFFAOYSA-N", "SMILES:O=C(Oc1cccnc1Br)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJZJYWCQPMNPRM-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRFXDLWSAJZIK-UHFFFAOYSA-N", "SMILES:Br.CC1N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRACHKTXHVLZPJ-UHFFFAOYSA-N", "SMILES:Br.NC1=NC(c2ccccc2)N(OCCCOc2cc(Cl)c(Cl)cc2Cl)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOAKYMMRQHNXNZ-UHFFFAOYSA-N", "SMILES:Br.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUCKFKOXGHRKR-UHFFFAOYSA-N", "SMILES:Br.CC1N=C(N)N=C(N)N1OCCCOc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXYNHJGHHPEOL-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKVSTDHEFIAIY-UHFFFAOYSA-N", "SMILES:Br.CC1N=C(N)N=C(N)N1OCCCOc1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQHFSJSTOJJUHE-UHFFFAOYSA-N", "SMILES:Br.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLZRXNAMTBXIBK-UHFFFAOYSA-N", "SMILES:Br.CC1N=C(N)N=C(N)N1OCCCOc1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLJVKDNWRPOQGO-UHFFFAOYSA-N", "SMILES:Br.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL527468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJUZNOSRKRUQSQ-UHFFFAOYSA-N", "SMILES:Br.CC1(C)NC(N)=NC(=N)N1OCCCCOc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL528489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDZLWUOXFYAMG-UHFFFAOYSA-N", "SMILES:Br.CC1(C)NC(N)=NC(=N)N1OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSEMVLHCXRTRPU-UHFFFAOYSA-N", "SMILES:Br.CC1(C)N=C(N)N=C(N)N1OCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAEUEMLTMHZEJV-UHFFFAOYSA-N", "SMILES:Br.CC1(C)N=C(N)N=C(N)N1OCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFOMLWDRGQBKN-UHFFFAOYSA-N", "SMILES:Br.CC1(C)N=C(N)N=C(N)N1OCCSc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYIPDVPWAMOKJ-UHFFFAOYSA-N", "SMILES:Br.CC1(C)N=C(N)N=C(N)N1OCCCSc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDUYYPVDXJUPP-UHFFFAOYSA-N", "SMILES:Br.CC1(C)N=C(N)N=C(N)N1OCCCSc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODIBYQRFHHCMIY-UHFFFAOYSA-N", "SMILES:Br.CC1(C)N=C(N)N=C(N)N1OCCCSc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL587606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEJSISLMUQBCIK-UHFFFAOYSA-N", "SMILES:Br.CC1(C)NC(N)=NC(=N)N1OCCCSc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYPDXRLADDZBNS-UHFFFAOYSA-N", "SMILES:Br.CC1(C)N=C(N)N=C(N)N1OCCCNc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTSFOJKKBYPHKG-UHFFFAOYSA-N", "SMILES:Br.Cc1ccc(C)c(NCCCON2C(N)=NC(N)=NC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZJGXCVFZCLDB-UHFFFAOYSA-N", "SMILES:Br.CN(CCCON1C(N)=NC(N)=NC1(C)C)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGGAKYCBOMNPW-UHFFFAOYSA-N", "SMILES:Br.CN(CCCON1C(N)=NC(N)=NC1(C)C)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZTPDUYEGSLJEC-UHFFFAOYSA-N", "SMILES:Br.CCN(CC)CCCON1C(N)=NC(N)=NC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEQBIJHPHTVBD-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2cnc3c(Nc4ccc(F)c(Cl)c4)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMODUSVCDDWLD-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2cnc3c(Nc4ccc(C(=O)NO)cc4)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYKHEDMCUBQNA-UHFFFAOYSA-N", "SMILES:Cc1c[nH]nc1Nc1nc(Cl)nc2c1ncn2Cc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNXBUSLSRMHRI-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2ccc3c(Cl)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTLGXGPWFGYDIA-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWFYYTOGYBJCQR-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(F)c(Cl)c2)c2ncn(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGXWZHACIVINX-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(N)nc3c2ncn3Cc2ccc(C(=O)Nc3ccccc3N)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOLFEWBZGRBNE-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(F)c(Cl)c2)c2ccn(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JENFTFNORBJWMJ-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3ccc(C(=O)Nc4cc(F)ccc4N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTDIENWIYANIG-GDNBJRDFSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVYRMZAJKSDGJ-WJDWOHSUSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSDVCJXCYFKAJ-AQTBWJFISA-N", "SMILES:CCN(CC)CCCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJGXTMZILSGDLG-LGMDPLHJSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCSLNMZYDZLMOP-ATVHPVEESA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(F)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPQIKBXALJNAKG-ATVHPVEESA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(Cl)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNDUJGBGBDASMN-ATVHPVEESA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(Br)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTABURBHBIBLY-RGEXLXHISA-N", "SMILES:CCc1ccc2c(c1)NC(=O)/C2=C\\c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRSBLMFDBDIOU-PDGQHHTCSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C#N)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSGLTYUJFFIAZ-PDGQHHTCSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(CNC(N)=O)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRWNPDZXOTJNA-HKWRFOASSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(CCOC)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NICPYYDKEPDTPW-QNGOZBTKSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(CCOC(C)=O)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTVNZZYDHQNFBS-RGEXLXHISA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(CCO)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIPKBPQXMOCACO-HKWRFOASSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(CCC#N)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQUHNNUWFFXNMM-RGEXLXHISA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(CCC(N)=O)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBPDEHRSGBYGIY-PGMHBOJBSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(CCN(C)C)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYRCHBRDGOULK-QNGOZBTKSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(CCNC(C)=O)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYJLLGOOGFYAKL-RGEXLXHISA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(CCN=[N+]=[N-])cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHBOUYXUXWCNJ-WDZFZDKYSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOTACWIYVADJLC-AQTBWJFISA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)N(C)c3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXDZRRYKOICUNG-ZROIWOOFSA-N", "SMILES:CCCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZHJBKFPQPDPD-AQTBWJFISA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(C)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSAUOJQJKDYQPG-ZHZULCJRSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(C(C)C)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGGYEERWURQKCW-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2ncnc3sc4c(c23)CCNC4)ccc1N(C)C"]}
{"name": "Serine/threonine-protein kinase TNNI3K", "xref": ["CHEMBL.TARGET:CHEMBL5260"], "id": "UniProtKB:Q59H18", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQKZXPBVGSHCU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCNC4)cc1NC(=O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSYHLVSQDNNMJ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCNC4)cc1NC(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORDWGXYIMFVOR-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCNC4)cc1NC(=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZBYCPKHCYUSDB-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCNC4)cc1NC(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJBYVFMUQGLRA-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCNC4)cc1NC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNZRAENELUQQIM-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2ncnc3sc4c(c23)CCN(C)C4)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHLAYUJYMIJGPK-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2ncnc3sc4c(c23)CCN(Cc2ccccc2)C4)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHQJVLXAPVXCKQ-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncnc(Nc4ccc(N(C)C)c(NC(=O)c5cccnc5)c4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYSBFFNSQDVQMN-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncnc(Nc4ccc(N(C)C)c(NC(=O)c5ccncc5)c4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGGIFWCWAAEOD-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncnc(Nc4ccc(N(C)C)c(NC(=O)c5ccco5)c4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGVKTADICVYXGJ-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3ncnc(Nc4ccc(N(C)C)c(NC(=O)c5cccs5)c4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQKWRGIIGRDZHG-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2ncnc3sc4c(c23)CCN(CCCN2CCOCC2)C4)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOUQTXEVOTMGC-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCN2CCc3c(sc4ncnc(Nc5ccc(N(C)C)c(NC(=O)c6ccco6)c5)c34)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYVCKUPOOCBTB-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCN2CCc3c(sc4ncnc(Nc5ccc(N(C)C)c(NC(=O)c6cccs6)c5)c34)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBAUOYBHKSQNCH-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1CCc2c(sc3ncnc(Nc4ccc(N(C)C)c(NC(=O)c5ccco5)c4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFPUSRHQVMEMU-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1CCc2c(sc3ncnc(Nc4ccc(N(C)C)c(NC(=O)c5cccs5)c4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCXVSUAVZUHIPF-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2ncnc3sc4c(c23)CCN(C(=O)c2ccc(C(F)(F)F)cc2)C4)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQAQUMQWFLMHF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCN(C(=O)c2ccccn2)C4)cc1NC(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHPTFWLQFGXJT-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCN(C(=O)c2cccnc2)C4)cc1NC(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURPVNVCZUWMIV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCN(C(=O)c2ccncc2)C4)cc1NC(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXZBCMSCLAWMCS-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCN(C(=O)c2cnccn2)C4)cc1NC(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQJJOJIFXVTPF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCN(C(=O)c2ccccn2)C4)cc1NC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBTUMJMWUOFLO-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCN(C(=O)c2cccnc2)C4)cc1NC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUSVONLLPZBKMN-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCN(C(=O)c2ccncc2)C4)cc1NC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRJKYOCLSYQTN-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCN(C(=O)c2ncccn2)C4)cc1NC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVFUASTWJTEOW-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3sc4c(c23)CCN(C(=O)c2cnccn2)C4)cc1NC(=O)c1cccs1"]}
{"name": "Serine/threonine-protein kinase TNNI3K", "xref": ["CHEMBL.TARGET:CHEMBL4802010"], "id": "UniProtKB:Q7TQP6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHXBZXBMHMZHPG-UHFFFAOYSA-N", "SMILES:CCCCn1cnc2c(Nc3cccc(Cl)c3)nc(NCOCc3ccc(C(=O)Nc4ccccc4N)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOCCPPKLDOYSW-UHFFFAOYSA-N", "SMILES:CCCCn1cnc2c(Nc3ccccc3)nc(NCOCc3ccc(C(=O)Nc4ccccc4N)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYSGFSTDZRTOQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(Nc3ccccc3)nc(NCOCc3ccc(C(=O)Nc4ccccc4N)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQSPAYMAHCAQV-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCOCc3ccc(C(=O)Nc4ccccc4N)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLMDLZZQDQKLBX-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COCNc2nc(Nc3ccccc3)c3ncn(C4CCCC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHLWKZTTWNENL-ISLYRVAYSA-N", "SMILES:CCCCn1cnc2c(Nc3ccccc3)nc(NCOCc3ccc(/C=C/C(=O)Nc4ccccc4N)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDUATLTUMMGEL-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2cnc3c(Nc4cccc(Cl)c4)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZCVESHFWJAFZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2cnc3c(Nc4ccc(-c5ccccn5)cc4)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDUJKSRWQKJHND-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2cnc3c(Nc4ccccc4)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHELPOUKGPDRRH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(Cl)nc3c2ncn3Cc2ccc(C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIHYFJYGOWWZJR-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2cnc3c(NCc4ccccc4)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVHXLORJCFJQC-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(Cl)nc3c2ncn3Cc2ccc(C(=O)Nc3ccccc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRQCKWVSLPAZTP-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2cnc3c(N4CCOCC4)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYTVGPYHNYUTQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(Cl)nc3c2ncn3Cc2ccc(C(=O)Nc3ccccc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZDAJAYEVKOLZ-NTCAYCPXSA-N", "SMILES:Cc1ccc(Nc2nc(Cl)nc3c2ncn3Cc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRBFQWGVGOUCA-OUKQBFOZSA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1ccc(Cn2cnc3c(Nc4cccc(OC(F)(F)F)c4)nc(Cl)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGFICORYEJIFFD-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNc2nc(Cl)nc3c2ncn3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXKTVIVNGMSTKH-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(NCc3ccc(C(=O)Nc4ccccc4N)cc3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYZOBHYEPGMZKW-UHFFFAOYSA-N", "SMILES:CCC(C)n1cnc2c(NCc3ccc(C(=O)Nc4ccccc4N)cc3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJZGCUHFBZJNV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1nccs1)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIOJXRJYWSRBJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccccn1)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNMSKFVKBVCPAJ-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=S)Nc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXZDJRJJDCBSLW-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccc2c(c1)OCO2)Nc1c2ccccc2nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPZEXCQOSDZQS-UHFFFAOYSA-N", "SMILES:S=C(NNc1ccccc1)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOBMQDOJOLBIY-UHFFFAOYSA-N", "SMILES:S=C(NN=C(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKHPTDTSZLRHX-XVNBXDOJSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccc3[nH]ccc3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMOCJZRGIGEJR-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccccc2C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYXHCCOFINWCU-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2cccc(C)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBBDCFYBDUXCCK-UXBLZVDNSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccc(C)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTQIWDYCCFYORM-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccccc2OC)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMZBMJYDIJUPI-VQHVLOKHSA-N", "SMILES:COc1cccc(NC(=O)CNC(=O)/C=C/c2ccc(O)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHUHBMSMSWDBN-ONNFQVAWSA-N", "SMILES:COc1ccc(NC(=O)CNC(=O)/C=C/c2ccc(O)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWAIWNJAIMESJ-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccccc2Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHCVSCQEUOTHJS-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2cccc(Cl)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFNGDMYATMLOTC-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccc(Cl)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVHRMOCMFLFQCB-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccccc2C(F)(F)F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJBVBHRRAGRLQN-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZZCUYPZJXZDH-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMXKLDTNZWHMA-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2cccc(Br)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCYCGCZJCWOCP-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccc(Br)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDHAZISIMAVVII-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccccc2F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNAQOBTHPKFLU-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2cccc(F)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYGVYRWFAVJXOF-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccc(F)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHVLSRMMRQOKCL-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2cccc(C#N)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZUFPBJWVPVXHS-WEVVVXLNSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccc(C#N)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVYTSSFRKAJTE-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCRLLFTRZKKFG-WEVVVXLNSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)Nc2ccc3ncccc3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBPNCQSMSFJMT-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUSXDYWHQVGKND-VQHVLOKHSA-N", "SMILES:COc1cccc(N2CCN(C(=O)/C=C/c3ccc(O)c(OC)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREXFNWLVKENMO-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVHYJIOGMBWPAW-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNGJBPXKUMSNP-ONNFQVAWSA-N", "SMILES:COc1ccc(N2CCN(C(=O)/C=C/c3ccc(O)c(OC)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFABSOYEQWQSME-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBZRWVDQXODLB-UXBLZVDNSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLPAQCHZGISERZ-UHFFFAOYSA-N", "SMILES:N#Cc1c(N2CCOCC2)sc(-c2nc[nH]n2)c1-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSFJPTWEJDCCKX-UHFFFAOYSA-N", "SMILES:N#Cc1c(N2CCOCC2)sc(-c2nc[nH]n2)c1-c1ccc(NC(=O)Nc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHHJTGRTQJGKLY-UHFFFAOYSA-N", "SMILES:N#Cc1c(N2CCOCC2)sc(-c2nc[nH]n2)c1-c1ccc(NC(=O)Nc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSNWRGCSGDUFN-CCVNUDIWSA-N", "SMILES:N#Cc1c(N2CCOCC2)sc(-c2nc[nH]n2)c1-c1ccc(NC(=O)N/N=C/c2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWCWWDARQBRUKC-LGJNPRDNSA-N", "SMILES:N#Cc1c(N2CCOCC2)sc(-c2nc[nH]n2)c1-c1ccc(NC(=O)N/N=C/c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRWIOXPFBBBCH-CCVNUDIWSA-N", "SMILES:N#Cc1c(N2CCOCC2)sc(-c2nc[nH]n2)c1-c1ccc(NC(=O)N/N=C/c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHGAPQDTIOBDF-UHFFFAOYSA-N", "SMILES:C#CCN1CCC(COC(=O)Nc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTRKOHDYGDICC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJYBWYFQBIECKG-UHFFFAOYSA-N", "SMILES:C#CCN1CCC(OC(=O)Nc2ccc(C(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGQVPIXFJKBAU-UHFFFAOYSA-N", "SMILES:C#CCN1CCC(COC(=O)Nc2ccc(C(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTJATLWGHDUVIF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OC1CCCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDRCWOTGBLGTG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OCC1CCCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXEDABWVGUNSPQ-UHFFFAOYSA-N", "SMILES:C#CCN1CCCC(OC(=O)Nc2ccc(C(C)C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGGJGRIOBVXEQ-UHFFFAOYSA-N", "SMILES:C#CCN1CCCC(COC(=O)Nc2ccc(C(C)C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCRCEFXLDHXCPZ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)OC2CCCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTKJESXVOYSUBT-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)OCC1CCCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOJEAOFHZRSSH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)OCC2CCCN(C3Cc4ccccc4C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQSUJLBOVDRML-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)OC2CCCN(C3Cc4ccccc4C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSFUBYHUNTELH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)OCC2CCCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASDVEQGWLQBRA-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)OCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGJNVGMGHMPCIT-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)OCC2CCN(C3Cc4ccccc4C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDBAAXNYHDKTFF-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)OC2CCN(C3Cc4ccccc4C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSZHWBCEOHXGOF-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)OCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEQMHNDIDFKKBK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OC1CCN(C2Cc3ccccc3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGOQLBZCERINRQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHHRIKRORYKZPG-UHFFFAOYSA-N", "SMILES:C#CCN1CCC(OC(=O)Nc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXNBKDMGAGSDZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OCC1CCN(C2Cc3ccccc3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFCJFOENLCATM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)OC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJNJKTCCHJBJON-UHFFFAOYSA-N", "SMILES:C#CCN1CCC(OC(=O)N(C)CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLXSISVGSVPMH-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)OC1CCN(C2Cc3ccccc3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZEZFKJJTGHHLX-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)OCC1CCN(C2Cc3ccccc3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMAXJNFYRWSNFA-UHFFFAOYSA-N", "SMILES:C#CCN1CCCC(OC(=O)Nc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQJCTZNMHDZMLG-UHFFFAOYSA-N", "SMILES:C#CCN1CCCC(COC(=O)Nc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISMYNYFEVMBAEI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OC1CCCN(C2Cc3ccccc3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMUSVJAJTVZDOX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OCC1CCCN(C2Cc3ccccc3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQFYXANPTRIVID-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)OC1CCCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDWZBWUIQBIEA-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)OC1CCCN(C2Cc3ccccc3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNNREFXLZRASL-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)OCC1CCCN(C2Cc3ccccc3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYYPSXZLJMCPI-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCCCCCCn1ccc(=O)c(OCc2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INFWNWVTESHPFC-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAHSQRUFROBRQ-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCCNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IROCZBKMAXIZCU-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CCCCCCNCc1ccccc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQXPCHOMTPJPHN-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CCCCCNCc1ccccc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGQVLLUISICME-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCCCCCCn1ccc(=O)c(O)c1C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPFFYDDNVCWDG-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCCCCCn1ccc(=O)c(O)c1C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQUBQWRVRFCKMT-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCCNc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFHGSODBYBHLAJ-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CCCCCCNc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPQQXOSOAXPFKN-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCCNc1ccnc(NCc2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYECCCDUGSYHSK-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCCNc1ccnc(NCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYJCCCMASLJFRQ-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1CCCCCCNc1ccnc(NCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTJMFRDYRJHCY-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCCn1ccc(=O)c(OCc2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGCRWZXFBKXGQX-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCn1ccc(=O)c(OCc2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWMATKGXQTXHT-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCn1ccc(=O)c(OCc2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPYEZVJGSDHKM-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFQPFEGKQILUFI-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCCCCCn1ccc(=O)c(OCc2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXBLBDLLUTUTQ-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCCNc1ccnc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRTMCIKXQLVHSD-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCCNc1nccc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJHVUWWRZDHUHH-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccccc3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQWPLBBUAVDBM-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(F)cc3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFDPTZPMFMHEN-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(C#N)cc3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHSZULGWGTUOU-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(C(N)=O)cc3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDRVKMPNWIUTK-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(C(=O)O)cc3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZJHPJPSRIDQI-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc4c(c3)OCO4)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTOCGVXGSTWVQZ-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3cccc4c3OCCO4)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAFVCEITTXVVHR-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1nn(C2CC2)cc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPFUKPFLLVSJT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nn(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHEIUPOYODWFKT-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccncc3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWQWBRMFZNJPK-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCC(F)(F)CC3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCEXTMJJFAGZJM-UHFFFAOYSA-N", "SMILES:CC1(O)CCC(c2nn(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKBANQBRGIZQB-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3C4COCC43)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJFHRKNVUHXQOM-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CN(CC(F)(F)F)C3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDVJOMIYLCUMP-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CN(C(=O)C4CC4)C3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPVGYPVHKELMX-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(O)(C(F)(F)F)C3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVQOWTPMVHJPMY-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(F)(F)C3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSCOHTFMAHASOB-UHFFFAOYSA-N", "SMILES:CC(O)(c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(F)(F)C3)ccn2)ccn1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKDHGARURWAONW-UHFFFAOYSA-N", "SMILES:OC(c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(F)(F)C3)ccn2)ccn1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJALPQKWYFIRFF-UHFFFAOYSA-N", "SMILES:FC1(F)CC(c2nn(C3CC3)cc2Oc2ccnc(Nc3ccnc(N4CCOCC4)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRRDTFUEOQFMJ-UHFFFAOYSA-N", "SMILES:OC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CC(F)(F)C4)ccn3)ccn2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJZBAWFKKKWSHN-UHFFFAOYSA-N", "SMILES:OC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CC(F)(F)C4)ccn3)ccn2)CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KISIXYFILRCUDO-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)CCN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CC(F)(F)C4)ccn3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGFSFOGIHGZNEX-UHFFFAOYSA-N", "SMILES:OC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CC(F)(F)C4)ccn3)ccn2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOKUBJRKRFRAP-UHFFFAOYSA-N", "SMILES:OC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CC(F)(F)C4)ccn3)ccn2)CN(CC(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXTWGVNLDSYMH-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CC2(C1)CC(O)(c1cc(Nc3cc(Oc4cn(C5CC5)nc4C4CC(F)(F)C4)ccn3)ccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMTLMXXZOXTJDT-UHFFFAOYSA-N", "SMILES:CC1COCC(C)N1Cc1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(F)(F)C3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594432", "category": ["biolink:ChemicalEntity"], "name": "LY-3200882", "xref": ["InChIKey:PNPFMWIDAKQFPY-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccn1"], "synonym": ["Ly 3200882", "Ly-3200882", "Ly3200882", "LY-3200882", "LY3200882"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQFUWTYYDKPQBV-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCCc2c[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXQJIQDRWQXKFO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(CC(=O)N3CCN(CCCc4c[nH]c5ccccc45)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNHHFOJJBFFFQ-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccc(Br)cc2)CC1)N1CCN(CCCc2c[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFLPIEMRMGJHHD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(CC(=O)N3CCN(CCCc4c[nH]c5ccccc45)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLKOCMTZNPEPI-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCN(CCCc2c[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSYWHXUSXJBRNV-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)N1CCN(CCCc2c[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORONPMZMWGYRMO-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2cccc(Br)c2)CC1)N1CCN(CCCc2c[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMJYTHUZCYCES-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccccc2F)CC1)N1CCN(CCCc2c[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZIUKLLPDUMANV-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZRJOKADPHPQG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(CC(=O)N3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFONZTUINGYUMY-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccc(Br)cc2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXAPPQYDLMDBMU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(CC(=O)N3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVOUNDRVIFNRES-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPTVQFTXMKVDJ-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCBOCGZUHOJHHR-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)N2CCN(CC(=O)N3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILDAQYRXZSGPBB-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2cccc(Br)c2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVLNQQMODXRCR-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccccc2Br)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVTVIMYIRQCRS-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCCN3CCN(C(=O)CN4CCN(C(=O)c5cccc(F)c5)CC4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOKCSBGEHUAIKX-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccccc2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFQZJWNHSQDLBH-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPLURWHCSJYEFD-ADNRWIEGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWVEAGSAWXMLC-VTSAFIPYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLMSIVKXUZGQM-AIWQAHHJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTIXANNCYETHA-PCCJHLIXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRQWHWSJKPZAU-VTSAFIPYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOZZVDPOKZFFM-AIWQAHHJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPOINGNGFZGRQ-FCRZPDTESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLNIKUWWSNJKV-VTSAFIPYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNREWIPYBRMGW-JGCIYAISSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRUZPQBQJOKTO-PMFODGSZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFUDNQGNZCFTNL-DCWDLTLNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)O)C(C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBVRBBLYFYDFF-MXQKUFFFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(CCCCNC(=O)CC[C@H](NC(=O)CCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NREJTPMNJCLNDG-XUGVVBTRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWQFDWHRLRTPIK-GZJIIXBLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(CCCCNC(=O)CC[C@H](NC(=O)C(CCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)NC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQBILNROHLXYEW-GTPJNBDFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)C(CCCCCCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)NC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKXIPSMXGNJKLP-UXCTVBQNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(CCCCNC(=O)CC[C@H](NC(=O)C(CCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)NC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMRDGZWHJGJPIK-MGMVGNRISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)C(CCCCCCCCCNC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)NC(=O)COC(=O)C(C)(C)CCCOc1cc(C)ccc1C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVYLOUYHYOUFG-QXONSOMPSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@H]3OC[C@H](NCc4ccc5c(c4)OCCO5)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWVOWTQCAWDAIT-LVEBQJTPSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@@]3(O)CO[C@@H]4[C@@H](NCc5cc6c(cn5)OCCO6)CO[C@@H]43)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJYHMUTUWFTMV-YMACDFMISA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@@]3(O)CO[C@@H]4[C@@H](NCc5ccc6c(n5)NC(=O)CO6)CO[C@@H]43)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYULKEUZKCMARG-QNMIOERPSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@@]3(O)CO[C@@H]4[C@@H](NCc5ccc6c(c5)OCCO6)CO[C@@H]43)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGOIQLHRWVQTDQ-WQDFSMHNSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@@]3(O)CO[C@@H]4[C@@H](NCc5ccc(C)cc5)CO[C@@H]43)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKIZSGQAJMZDNW-GMHONNGPSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@@]3(O)CO[C@@H]4[C@@H](NCc5ccc(Cl)c(Cl)c5)CO[C@@H]43)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDDAEHLNIKVCF-VVONHTQRSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@H]3OC[C@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLJJTCAGDXEGOK-HNSKJHPRSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@H]3OC[C@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXSVIBFGTNEGOD-HNSKJHPRSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@H]3OC[C@H](NCc4ccc(Cl)c(Cl)c4)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYMDIJRCZKBEMY-SKUGRUHMSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@]3(O)CC[C@@H](NCc4ccc5c(c4)OCCO5)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYMDIJRCZKBEMY-AJHAWQTOSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@]3(O)CC[C@H](NCc4ccc5c(c4)OCCO5)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKNPNAVFDYBFT-BCTVQRCUSA-N", "SMILES:COc1ccc2ncc(F)c(CC[C@]3(O)CC[C@H](NCc4ccc(Cl)c(Cl)c4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDFACDPHSZEFT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(C(=O)N4CCCCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDZQULEJWBSLS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2ccc(Nc3ncnc(Nc4ccc(C(=O)N5CCCCC5)cc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBESWVDFJDOVEU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(OCCOC)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPJFAWQEJWCUPN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(-c4cccnc4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQNIOUPCYZLZHJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(-c4ccc(C)nc4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONDIEASJMZRCL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(-c4ccc(F)nc4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGBIZDCKPTXSEL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWUBNOASTXXPG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(C(=O)Nc4ccccn4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWQWQORGQVUGN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(C(=O)Nc4ccc(C)cn4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIUCKAVZQKVZJV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncnc(Nc3ccc(C(=O)N4CCCCC4)cc3)n2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOBLXOZHBALAX-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(Sc5nc6ccccc6[nH]5)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCIRPZMZDFVMQ-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(Sc5nc(-c6ccccc6)c[nH]5)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLLQSBSTHWUIK-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(Sc5nc6ccccc6n5C)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRHVOVIIWBRTN-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(Sc5nc6ccccc6[nH]5)cc4Cl)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTDCUFCJAWQJCI-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(Sc5nc6ccccc6n5C)cc4Cl)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYUWYPVUFZDFI-PHFXQHTASA-N", "SMILES:COc1ccccc1/C=C/C=C/C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVUPVZQUGOYBB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Oc4ccc5ccc(=O)[nH]c5c4)c4sccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZVWGARFQWOAIP-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(Oc3nc(Nc4ccc(N5CCOCC5)cc4)nc4ccsc34)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNFKWCVAYRNFCF-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(Oc3nc(Nc4ccc(N5CCC(N6CCCCC6)CC5)cc4)nc4ccsc34)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQFZKUSXQILHFQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Oc4ccc5ccc(=O)[nH]c5c4)c4sccc4n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBFMWCUVOCTKCK-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(Oc3nc(Nc4ccc(N5CCS(=O)(=O)CC5)cc4)nc4ccsc34)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNANRLMWZOXEHZ-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(Oc3nc(Nc4ccc(CN5CCOCC5)cc4)nc4ccsc34)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFFOMZUPJKWVLL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2ccc3ccc(=O)[nH]c3c2)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUUIKVBSCHGMLD-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3nc(Oc4ccc5ccc(=O)[nH]c5c4)c4sccc4n3)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJAYBSRSVRQCAB-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(Oc3nc(Nc4ccc(N5CCC(N6CCCCC6)CC5)c(F)c4)nc4ccsc34)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFRNIENYVBLLKL-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3nc(Oc4ccc5ccc(=O)[nH]c5c4)c4sccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHAICPFWNLXSQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(Nc3nc(Oc4ccc5ccc(=O)[nH]c5c4)c4sccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEOBKMPTFCLET-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1ccc(Nc2nc(Oc3ccc4ccc(=O)[nH]c4c3)c3sccc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZAOXBBTSGGBM-UHFFFAOYSA-N", "SMILES:Cc1cccnc1NC(=S)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPSYJINFZDBPU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NC(=S)NCc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGAKNNRHRAVGBU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NC(=S)NCc2ccccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWDVGYFAYQVOW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWUFXBVOCNVRMX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFBHJUOIRFRPS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXSPSRZCVHDCR-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMMPNKNRUSXFT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(N3CCCCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFWXAUPBIZYFW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBXCAEQMTSSNJK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(N3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPVPNTRPCLPLMS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTXXQGRSUTSDQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPMUOZZJCTWBY-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(N3CCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDUNYEPPVMECSL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFZRTJIXAPZSU-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSPIROUZWFUAX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1nc(Nc2ccccc2)cc(Sc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMACQIMBANOCGH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCN(c3ccccn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVZHUASEBCZWOG-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(N3CCN(c4ccccn4)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJHWHCDTKMONM-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCN(c3ccccn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLRXVBXYBMGQY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCN(Cc3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUWRMSJEURYQKP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(N3CCN(Cc4ccccc4)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLWRKBNCKWSET-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(N2CCN(Cc3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKLNVHALRCDKV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(N3CCN(Cc4ccccc4)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDMVJMKLGEFBQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)Nc1nc(NC2CC2)cc(Sc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQKVHBZHMJXIML-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1nc(NC2CC2)cc(Sc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLEQASLQEOSHCX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2nc(Nc3ccccc3)cc(Sc3c[nH]c4ccccc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSTKBNWSNPRUCO-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)Nc1nc(Nc2ccccc2)cc(Sc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKJOCOCINKOIE-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Nc2nc(Nc3cc(OC)cc(OC)c3)cc(Sc3c[nH]c4ccccc34)n2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUOWUCAAQDVVBU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2nc(Nc3cc(OC)cc(OC)c3)cc(Sc3c[nH]c4ccccc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTRLCPWKTGZDJC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1nc(Nc2ccc(Cl)cc2)cc(Sc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAQPMWBELPXNNM-JTQLQIEISA-N", "SMILES:Cc1[nH]c2c(O)c3c(c(O)c2c1C(=O)N1CC[C@H](N)C1)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYYLIRNMOJGCH-VIFPVBQESA-N", "SMILES:N[C@H]1CCN(C(=O)c2csc3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECFNGGMVTZBKE-VIFPVBQESA-N", "SMILES:N[C@H]1CCN(C(=O)c2coc3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGGHACHMARXLW-HXUWFJFHSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(C[C@@H](O)COc3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETBMKOEQWXFJG-HXUWFJFHSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(C[C@@H](O)COc3ccc(Cl)c(F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOWFMPWIDDQAH-OAQYLSRUSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(C[C@@H](O)COc3ccc(Cl)cc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQZAHERLIYHMBX-HSZRJFAPSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMIUFZIZERXHBB-HHHXNRCGSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(C[C@@H](O)COc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKEPVYCCTGOOTM-JOCHJYFZSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(C[C@@H](O)COc3cc(Cl)c4oc(=O)cc(C)c4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNPDMDMVYVIBH-LWMIZPGFSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(C[C@@H](O)COc3ccc4c(c3)NC(=O)C(C)O4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPKVQHQXWXOCJP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(CCCCOc3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTASPVVCDOAJRI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(CCCCOc3ccc(Cl)c(F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNGRCOGHSNGID-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(CCCCOc3ccc(Cl)cc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEHDQKIGIJYMOP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(CCCCOc3ccccc3C#N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQZAUMPXCBBUBJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDVIWJSZCNVVOD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWHVBZKUIRBJHI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(CCCCOc3ccc4c(c3)NC(=O)C(C)O4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWHNJQBOEGRUHX-OAQYLSRUSA-N", "SMILES:COc1ccc(-c2ccccc2C2CCN(C[C@@H](O)COc3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVPXLHERBCGNG-MUUNZHRXSA-N", "SMILES:COc1ccc(-c2ccccc2C2CCN(C[C@@H](O)COc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTNMHOVGTBINTB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2C2CCN(CCCCOc3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHXTWLKNVEBDQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2C2CCN(CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSQFVQUFTALTNL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(CCC(C)(C)CCOc3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWTXVKXFMPRIFG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(CC(C)(C)CCCOc3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHXAXCBLZXNWPD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2N2CCN(CC#CCOc3ccc(Cl)c(F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8618", "category": ["biolink:ChemicalEntity"], "name": "NAN-190", "xref": ["InChIKey:SJDOMIRMMUGQQK-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDOKVGWGKMHBMG-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXJZLIHJAORCH-ANVLNOONSA-M", "SMILES:C[N+]1(Cc2cccc(/N=N/c3ccccc3)c2)CCCCC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRMYYWZNMZGXQN-LHPVOXLHSA-L", "SMILES:C[N+]1(Cc2cccc(/N=N/c3cccc(C[N+]4(C)CCCC4)c3)c2)CCCC1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVUJBIEUZCZSV-LHPVOXLHSA-L", "SMILES:C[N+]1(Cc2ccc(/N=N/c3ccc(C[N+]4(C)CCCC4)cc3)cc2)CCCC1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXYMWXDLKZWBTN-JZYARHMISA-L", "SMILES:C[N+]1(Cc2cccc(/N=N/c3cccc(C[N+]4(C)CCCCC4)c3)c2)CCCCC1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGYSASZOQOLOAL-NFOZGECASA-L", "SMILES:C[N+]1(Cc2cccc(/N=N/c3cccc(C[N+]4(C)CCCCCC4)c3)c2)CCCCCC1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPTWLLRKRARKAW-JZYARHMISA-L", "SMILES:C[N+]1(Cc2cccc(/N=N/c3cccc(C[N+]4(C)CC=CCC4)c3)c2)CC=CCC1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL298826", "category": ["biolink:ChemicalEntity"], "name": "(-)-EPIBATIDINE", "xref": ["InChIKey:NLPRAJRHRHZCQQ-IVZWLZJFSA-N", "SMILES:Clc1ccc([C@H]2C[C@@H]3CC[C@H]2N3)cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4789019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZPLMYCIMOTEU-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccc(Br)cc3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3986155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDSSLRRCEOIIFB-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccc(Br)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNFDUYIGEIAKGQ-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccc(C(F)(F)F)cc3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPPJEOARNDZWND-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccc(I)cc3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQNPMAZTATJJL-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccccc3I)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHIMLPNEKKZBT-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccccc3Br)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJMRFPQJCOXFB-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccc(Cl)cc3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQIEQKYZFKAFE-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3cccc(Cl)c3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMWQDGZUHBHHB-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccccc3Cl)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCULGKKKYQBNJ-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccc(F)cc3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRGZFJRMLZJNN-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3cccc(F)c3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRMPHMLINHVDR-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccccc3F)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZUICNZQZUENE-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccccc3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMXLPKFDTVSQCR-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccccc3C#N)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRMVLWDKYWIBJV-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3cccc(C#N)c3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMVDVYUSLOLGA-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccccc3C)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLSWOGYMOLHYJR-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3cccc(C)c3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSBOZYQMTMCIGM-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccc(C)cc3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHFADWRVNPSIM-UHFFFAOYSA-M", "SMILES:COc1cccc(-[n+]2ccc3cccc(OC)c3c2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLNCOEXWGNQPIF-UHFFFAOYSA-M", "SMILES:COc1ccc(-[n+]2ccc3cccc(OC)c3c2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJIDGJREFWKOF-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3c(F)cccc3F)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBUNMMMESBLGDP-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccc(Cl)cc3Cl)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWQNECYLRHPBT-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccc(Br)cc3Br)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFHBYGDFXUXHM-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccc(Br)cc3F)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHXKYARKNRLCBD-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccc(I)cc3F)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVLNWHYIOFXST-UHFFFAOYSA-M", "SMILES:Brc1ccc(-[n+]2ccc3ccccc3c2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWVQBZQJADPFBR-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccccc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPVZUGNCUNCQN-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccccc1F)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBRYQVSIVSAQN-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccc(F)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQMBWLZWMOBFID-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccc(Cl)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3889812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZQNOLGPGIPVES-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccccc1Br)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGITRWEWNYBCI-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccccc1I)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPADVIPSSOWHSJ-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccc(I)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQWQKPBWDUDKB-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccc(C(F)(F)F)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHYWMUOWRGKBEA-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1cccc(C#N)c1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3897479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXHZURBFSRNZAY-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccccc1C)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOOGZPVDLIWLSY-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1cccc(C)c1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJILBAQJLPTCAU-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccc(C)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YORVYJZHQUZHHS-UHFFFAOYSA-M", "SMILES:COc1cccc([N+]2=Cc3c(cccc3OC)CC2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKHDRRKXDZYPOX-UHFFFAOYSA-M", "SMILES:COc1ccc([N+]2=Cc3c(cccc3OC)CC2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWHDBGFXXRMUGB-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1c(F)cccc1F)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPCGEGVJSBWPP-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccc(Cl)cc1Cl)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSRYVHUFQDTWNU-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccc(Br)cc1Br)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFLSKSJEBVBRSZ-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccc(Br)cc1F)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRQNOCZIIVOAG-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccc(I)cc1F)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQPKXORYJXCOT-UHFFFAOYSA-M", "SMILES:Brc1ccc([N+]2=Cc3ccccc3CC2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL417799", "category": ["biolink:ChemicalEntity"], "name": "SANGUINARIUM", "xref": ["InChIKey:INVGWHRKADIJHF-UHFFFAOYSA-N", "SMILES:C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3"], "synonym": ["Sanguinarine", "Pseudochelerythrine", "Sangrovit", "Sanguinarin", "Sanguinarine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL13045", "category": ["biolink:ChemicalEntity"], "name": "CHELERYTHRINE", "xref": ["InChIKey:LLEJIEBFSOEYIV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3970993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDJUYPKTQHPTJ-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccccc1Cl)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFZAJDQPNMGMM-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1ccccc1C#N)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRAVQPAPKHNDT-UHFFFAOYSA-M", "SMILES:COc1cccc2c1C=[N+](c1cc(Cl)cc(Cl)c1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYXRFUWNPUEIQP-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3cccc(I)c3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDMIWUBFNVMFW-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3ccccc3C(F)(F)F)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZHLGNIARMQRU-UHFFFAOYSA-M", "SMILES:COc1cccc2cc[n+](-c3cccc(C(F)(F)F)c3)cc12.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMRUAERSLBZRKT-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJIMLUOYWXSTO-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(Cl)cc2)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUYIZGCEMBAYAR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(=O)NC3=C2C(=O)C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCAXHUTMZFOQF-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc([N+](=O)[O-])cc2)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQKJVXLXYMVSP-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(F)cc2)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMCWEVIWVIAHB-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2CC(=O)NC3=C2C(=O)C(=O)c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUVOZPXTFTIPQ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cccc(O)c2)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBJIECDNTTYMW-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC(=O)NC3=C2C(=O)C(=O)c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORIBAEXUUGYBEN-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cccc(C(F)(F)F)c2)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VINZVSORLGLYTL-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2F)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDALPVRWYVKZQZ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2Cl)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDTSRDADXANXGI-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CC(=O)NC2=C1C(=O)C(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODHNWDVFFKBCR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1CC(=O)NC2=C1C(=O)C(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKAKWVCYRJUUQF-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(=O)NC3=C2C(=O)C(=O)c2ccccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBTFQSVIHDBQJF-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(=O)NC3=C2C(=O)C(=O)c2ccccc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPZOFXXAUWKOQD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(=O)NC3=C2C(=O)C(=O)c2ccccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANBZNSRMHYRBI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C2CC(=O)NC3=C2C(=O)C(=O)c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIMZAEULNUGBLD-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(F)cc2F)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVXLJVHMCFXJNU-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(Cl)cc2Cl)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJGPHWIGKVEQR-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cc([N+](=O)[O-])ccc2Cl)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNGWDLRJFAYUIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C2CC(=O)NC3=C2C(=O)C(=O)c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMUBGHIJHDMSKF-UHFFFAOYSA-N", "SMILES:O=C1CC(c2c(F)cccc2F)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYQCGXCJXXLRKQ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(=O)NC3=C2C(=O)C(=O)c2ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYYFAYVDCBNGC-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccco2)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQPLGACMAMTPR-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cccs2)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHQTCXSQSERIX-UHFFFAOYSA-N", "SMILES:O=C1CC(C2CCCC2)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFNDCWVGOWWRW-UHFFFAOYSA-N", "SMILES:O=C1CC(C2CCCCC2)C2=C(N1)c1ccccc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBBIWWGBPRXOJG-UHFFFAOYSA-N", "SMILES:CCCC1CC(=O)NC2=C1C(=O)C(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYPRKXVGMWFQK-UHFFFAOYSA-N", "SMILES:CC(C)C1CC(=O)NC2=C1C(=O)C(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMCJCJOCBZHDZ-UHFFFAOYSA-N", "SMILES:CCCCCC1CC(=O)NC2=C1C(=O)C(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDNZUNQDSSNPX-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCN(C)C)oc2c1.CS(=O)(=O)O"]}
{"name": "Runt-related transcription factor 2", "xref": ["CHEMBL.TARGET:CHEMBL1681609"], "id": "UniProtKB:Q08775", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWOUDRJRIGZZPR-WYMPLXKRSA-N", "SMILES:C/C(=N\\Nc1nc(-c2ccc(Cl)cc2)cs1)c1nnn(-c2ccc(C(=O)O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQHFSRHRIAXUPP-WYMPLXKRSA-N", "SMILES:C/C(=N\\Nc1nc(-c2ccc(Cl)cc2)cs1)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWRYXRUGOOALO-MZJWZYIUSA-N", "SMILES:C/C(=N\\Nc1nc(-c2ccc(Cl)cc2)cs1)c1nnn(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOTFSAMNGHICLF-SRZZPIQSSA-N", "SMILES:Cc1c(-c2nn(-c3ccccc3)cc2/C=N/O)nnn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPJDLWDSKSSOK-SRZZPIQSSA-N", "SMILES:Cc1c(-c2nn(-c3ccccc3)cc2/C=N/O)nnn1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVGUYLLAFHOLS-SRZZPIQSSA-N", "SMILES:Cc1c(-c2nn(-c3ccccc3)cc2/C=N/O)nnn1-c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHZYCASJFPXTCW-SRZZPIQSSA-N", "SMILES:Cc1c(-c2nn(-c3ccccc3)cc2/C=N/O)nnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHMRGHODFGLMLG-WYMPLXKRSA-N", "SMILES:C/C(=N\\Nc1nc(-c2ccc(Cl)cc2)cs1)c1nnn(-c2ccc(F)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZONUSMRKZZGLS-UHFFFAOYSA-N", "SMILES:CC(=O)c1nnn(-c2ccc(Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOGFLGOVBKEDMF-UHFFFAOYSA-N", "SMILES:CC(=O)c1nnn(-c2ccc(F)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZZVEQZTQPWAT-UHFFFAOYSA-N", "SMILES:CC(=O)c1nnn(-c2ccc(C(=O)O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHUGUAAEHRJDLM-VIZOYTHASA-N", "SMILES:C/C(=N\\NC(N)=O)c1nnn(-c2ccc(Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGBOWRKVJDJBBX-VIZOYTHASA-N", "SMILES:C/C(=N\\NC(N)=O)c1nnn(-c2ccc(F)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDNZYYYRWSHGH-VIZOYTHASA-N", "SMILES:C/C(=N\\NC(N)=O)c1nnn(-c2ccc(C(=O)O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPJCESIQPGMTNL-VIZOYTHASA-N", "SMILES:C/C(=N\\NC(N)=S)c1nnn(-c2ccc(Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBPFELDRXSCTJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCWRMFSXKNKRJK-UHFFFAOYSA-N", "SMILES:CC(=O)c1nnn(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODKDQVAHNORKL-VIZOYTHASA-N", "SMILES:C/C(=N\\NC(N)=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQEHZAHAGRPBGR-GIJQJNRQSA-N", "SMILES:C/C(=N\\NC(N)=O)c1nnn(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPDFRPSNCPHCP-VIZOYTHASA-N", "SMILES:C/C(=N\\NC(N)=S)c1nnn(-c2ccc(F)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYOMRXFAPHFIJ-VIZOYTHASA-N", "SMILES:C/C(=N\\NC(N)=S)c1nnn(-c2ccc(C(=O)O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSNUMVKUUMGBTC-VIZOYTHASA-N", "SMILES:C/C(=N\\NC(N)=S)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKBFCHMSRWBJV-GIJQJNRQSA-N", "SMILES:C/C(=N\\NC(N)=S)c1nnn(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKHIYMJTANUNW-WYMPLXKRSA-N", "SMILES:C/C(=N\\Nc1nc(-c2ccc(Cl)cc2)cs1)c1nnn(-c2ccc(Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSUZBFWTCWWXDY-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(NC(=O)CCCCCCC(=O)NO)cc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUIWTHQZBYYCGP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1C(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYUDJKAHHUJQBC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NCc1ccc(OCCCCC(=O)Nc2ccc3c(c2)cc(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXJXDWNCHLEVAZ-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMSCXGNJNWHVIP-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NS(=O)(=O)Cc3ccc(C(=O)NO)cc3)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKZQXYDFSUOCDA-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(=O)NO)cc1)NC1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJVPPSEUWJWLC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1CNc1ccc2c(c1)cc(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZLKGFNNBJERU-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NS(=O)(=O)Cc3cccc(C(=O)NO)c3)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXZVNDHIJHXPFX-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NCc3cc(C(=O)NO)ccc3Cl)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVHLFMDXTXHXRM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDUGYSBGLMRET-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NS(=O)(=O)c3cc(C(=O)NO)ccc3Cl)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATYUVCUOGMVQR-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NO)ccc1CS(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHMICRSZZUPIEW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1CS(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUMCIJBZDIUPT-FQEVSTJZSA-N", "SMILES:O=C(NO)[C@H](Cc1ccccc1)n1nnc(-c2ccccc2)c1C#CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASHPRZYGCOMVHO-WYMLVPIESA-N", "SMILES:COc1ccc(/C=C/C(=O)NO)c(-c2ccc(-c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOMXRQMDXXFJM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(S(=O)(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNBKPOQRRXZDRO-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(NC(=O)c3cc(C(=O)NO)ccc3Cl)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORNKVDXXKWHXNG-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCOc1ccccc1C(=O)Nc1ncnc2[nH]cnc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UROQSOHYGRFERW-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)CSc1nc2c(I)cc(I)cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNGZANABCENOI-UHFFFAOYSA-N", "SMILES:CCc1cccc(NC(=O)CSc2nc3c(I)cc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVHSVDVBBMXNQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)CSc2nc3c(I)cc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGRGGWBXKWJMR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nc3c(I)cc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMDCTRDOAZCBL-UHFFFAOYSA-N", "SMILES:Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2c(I)cc(I)cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPOMEOQCQYESV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMEVOHHLCTXVOP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(S)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQTWHXLNBFTSAR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJNCIKJGTYOPDW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CSc1nc2c(I)cc(I)cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCTQEWNOLCUKPZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CSc2nc3c(I)cc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CALIVHLVMGOWDD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nc3c(I)cc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTQGYOGKNMVHPK-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)CSc2nc3c(I)cc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDULJAPMWIOISN-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc3c(I)cc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRALMJVELOJDNS-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nc3c(I)cc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYBTGVIFXYCGP-UHFFFAOYSA-N", "SMILES:Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc2c(I)cc(I)cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFXAABPRNTSAX-UHFFFAOYSA-N", "SMILES:CCCCOc1cc2nccc(Oc3ccc(N/C(CCOC)=N/S(=O)(=O)Cc4ccc(Cl)cc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMNZJIDALYEEFG-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLCZBZBEZKBQE-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUCXTIJVXKAEI-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Br)cc1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZDLVQKUKYWQPP-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYYINLWOIPOEOA-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1cccc(F)c1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBPPBUMXEBVPRA-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccccc1F)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHBQIMGZAYZWOL-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(C)cc1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLDVJOCCFNAWBP-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1cccc(C)c1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBNJHHXUSGGBKW-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccccc1C)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPYFULVGERLTGS-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(N/C(Cc4ccsc4)=N\\S(=O)(=O)Cc4ccc(F)cc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZFMXVNVKCKKI-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(N/C(Cc4ccsc4)=N\\S(=O)(=O)Cc4ccccc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEFQWRPXELFUKT-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(N/C(Cc4cccnc4)=N\\S(=O)(=O)Cc4ccc(F)cc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTNDWHDBYWBFFV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(N/C(Cc4cccnc4)=N\\S(=O)(=O)Cc4ccccc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVONNHQEIRTNBF-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(N/C(CC4CCCCC4)=N\\S(=O)(=O)Cc4ccc(F)cc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLZVJUGNMPOSC-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(N/C(CC4CCCCC4)=N\\S(=O)(=O)Cc4ccccc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXFYTFPHWIKSR-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(N/C(C)=N/S(=O)(=O)Cc4ccc(F)cc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFGPUYYUQJBDJH-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(N/C(C)=N/S(=O)(=O)Cc4ccccc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCLZJTWWHOIPPK-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTAUYXYOBBEGT-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccccc1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLZYIADZXDARP-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(N/C(Cc4ccccc4)=N\\S(=O)(=O)Cc4ccc(F)cc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYULUCXWGFEWGX-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(N/C(Cc4ccccc4)=N\\S(=O)(=O)Cc4ccccc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHDEWOQSBUPJJ-UHFFFAOYSA-N", "SMILES:CCCCC/C(=N\\S(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDOZNWEZBDWKU-UHFFFAOYSA-N", "SMILES:CCCCC/C(=N\\S(=O)(=O)Cc1ccccc1)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIOOAIHOYQKLT-UHFFFAOYSA-N", "SMILES:CCCCC/C(=N\\S(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDLGPOJPFSIAR-UHFFFAOYSA-N", "SMILES:CCCCC/C(=N\\S(=O)(=O)Cc1ccccc1)Nc1ccc(Oc2ccnc3ccsc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRZETJXKHEQSR-UHFFFAOYSA-N", "SMILES:CCCCC/C(=N\\S(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(Oc2ccnc3ccsc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTYUPOIJONNGA-UHFFFAOYSA-N", "SMILES:CCCCC/C(=N\\S(=O)(=O)Cc1ccccc1)Nc1ccc(Oc2ncnc3ccsc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFWLKCHXRILNOK-UHFFFAOYSA-N", "SMILES:CCCCC/C(=N\\S(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(Oc2ncnc3ccsc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZHPBSMUKLAEDW-UHFFFAOYSA-N", "SMILES:CCCCC/C(=N\\S(=O)(=O)Cc1ccccc1)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNEFKXHQRXFMAV-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccnc3cc(OCCCN4CCC(C)CC4)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONTZIAQXYDRJS-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccnc3cc(OCCCN4CCC(C)CC4)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSANHTOTCZKRTI-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWMZESXPAZVEOZ-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSPNPOQXHRTEV-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLQATDOZFJLKZ-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXZBAVEPRJGRC-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCKKTDVCCCBGDD-UHFFFAOYSA-N", "SMILES:COCC/C(=N\\S(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVUZTTOCBQDQPS-UHFFFAOYSA-N", "SMILES:CCCCOc1cc2nccc(Oc3ccc(N/C(CCOC)=N/S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3341789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUXVRVMMYAXKN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGCUGHOUSPKBA-UHFFFAOYSA-N", "SMILES:COc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKIQUHJMKMTYPI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(OC)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWYCHWICAWWJPC-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(OC)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKKWYKONXTPFI-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTNLXMJMLHJDKF-UHFFFAOYSA-N", "SMILES:COc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAOTXMYGOSUFGX-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(OC)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGBKRFXLWIHJQH-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBTJGPURAPMJSS-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)c2ccccc2)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJCBPZCSZZPQO-UHFFFAOYSA-N", "SMILES:CCOc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRNARHMPEAENRG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMJHOMFUECZGAD-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYNOQUUDOREOT-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQADZIKNLVGYRS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGWAPHGUQVWRA-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBOLTJJZURFJLA-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAVIPIHNPPAYAJ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(C)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLGBGSXVKQKOZ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSEOMSQIOBWXNZ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(Cl)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIIXJLLQKFFGKU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPGITVUUJFWGDH-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)NCc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVICHJOIZQDIK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CCc2ccc(-c3cc(-c4ccc(N5CCNCC5)cc4)cnc3N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKTLXYXOPICQKS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CCOc2ccc(-c3cc(-c4ccc(N5CCNCC5)cc4)cnc3N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCEWXHIMEBYYPB-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)cc(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVGYBBBKKWPOIO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEJEDBJAIIDDU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3cccc(S(C)(=O)=O)c3)cnc2N)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZUDUPSDVPARC-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIDSSPGGSFJDS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3cccc(N4CCNCC4)c3)cnc2N)cc(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYGZTYKJHCBLM-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBMPWWTVMJBDW-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKCKZLJVQITEO-UHFFFAOYSA-N", "SMILES:CN1CCCCC1CCN1c2ccc(Br)cc2Sc2cc(Br)ccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSSRLBHGILGLTG-UHFFFAOYSA-N", "SMILES:CN1CCCCC1CCN1c2c(Cl)cc(Cl)cc2Sc2cc(Cl)cc(Cl)c21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYYZTZRTNNOLCD-UHFFFAOYSA-N", "SMILES:CN1CCCCC1CCN1c2ccc(Br)cc2[Se]c2cc(Br)ccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSXKPPSSQAFKM-SPKJYZRXSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(F)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZQKVQJWSHHHL-AWYAZMPSSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(OC)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVILGUKZPRHBP-WGSLGHPRSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(F)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELGHXJXCHYQCW-WGSLGHPRSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(Cl)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMAFXHRBJFYTP-PIHYWTKHSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(F)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC[C@H]4C(=O)O)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYATVGEYXZQJG-YVHJMYFISA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(OC)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC[C@H]4C(=O)O)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJZLHLLLOLDEY-SPKJYZRXSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(F)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSLWATNMBMZJME-AWYAZMPSSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(OC)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXMZOVTUXRIZJF-SPKJYZRXSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(Cl)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJCPUBKBUYENCU-WGSLGHPRSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(F)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPDQZBGNAXWJW-RGINJTCGSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(OC)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFXYEXGPFEZBV-WGSLGHPRSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(Cl)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLLKYIDIZNWBH-MIDJFWNWSA-N", "SMILES:CCN1CCN(Cc2csc(-c3ccc4c(c3)c(/C(=N/Nc3nc(-c5ccc(F)cc5)c(C#N)s3)C(F)(F)F)cn4CC)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQCVGAIMVYNQQ-DFGGBBJBSA-N", "SMILES:CCN1CCN(Cc2csc(-c3ccc4c(c3)c(/C(=N/Nc3nc(-c5ccc(OC)cc5)c(C#N)s3)C(F)(F)F)cn4CC)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMROKFAVYVBCB-MIDJFWNWSA-N", "SMILES:CCN1CCN(Cc2csc(-c3ccc4c(c3)c(/C(=N/Nc3nc(-c5ccc(Cl)cc5)c(C#N)s3)C(F)(F)F)cn4CC)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOGLRMMAUGNBIP-MIDJFWNWSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(Cl)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDPAJOROWWQAEM-JJXFWJPSSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(F)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC[C@H]4CO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPMQEGLUVNFKJ-HTIUQMMCSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(OC)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC[C@H]4CO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUXVRJUZNPKHQZ-JJXFWJPSSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(Cl)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC[C@H]4CO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKGHOHAPLZDBL-UOZKZNBHSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(F)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CC(O)C4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPIAZDFESKKFGK-QOSQFQCFSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(OC)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CC(O)C4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOZAFAYKUGMLSA-UOZKZNBHSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(Cl)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CC(O)C4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLNYIDXMTFIXJL-WGSLGHPRSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(F)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSUALWSGFMASGU-RGINJTCGSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(OC)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBDSIQZQWWQNHF-WGSLGHPRSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(Cl)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJQZINONNJBDMG-MIDJFWNWSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc(-c3ccc(F)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCN(CCO)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJVYRGVJWCQKX-GIBOGKFOSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc3ccccc3s2)C(F)(F)F)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKCCSINORLEOQN-NQUVTRGKSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc3ccccc3s2)C(F)(F)F)c2cc(-c3nc(CN4CCCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLLJGGCSHDXKPT-GIBOGKFOSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc3ccccc3s2)C(F)(F)F)c2cc(-c3nc(CN4CCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAAPJSFTTVMIRN-NQUVTRGKSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc3ccccc3s2)C(F)(F)F)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLSWLLNRUNREN-JYUHDHNASA-N", "SMILES:CCn1cc(/C(=N/Nc2nc3ccccc3s2)C(F)(F)F)c2cc(-c3nc(CN4CCC(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLEWCDXQEBLXPG-LNECNUOFSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc3ccccc3s2)C(F)(F)F)c2cc(-c3nc(CN4CCC[C@H]4C(=O)O)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEUKTBHROASCCI-NQUVTRGKSA-N", "SMILES:CCn1cc(/C(=N/Nc2nc3ccccc3s2)C(F)(F)F)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRVWNPJHRZYJG-UOZKZNBHSA-N", "SMILES:Cn1cc(/C(=N/Nc2nc(-c3ccc(Cl)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGHOJLQCQRILPX-SPKJYZRXSA-N", "SMILES:Cn1cc(/C(=N/Nc2nc(-c3ccc(F)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDYWVCXRCNJYKR-VDMDNSBISA-N", "SMILES:Cc1[nH]c2cc(F)c(N3CCC(C(=O)N4CCCC4)CC3)cc2c1/C(=N/Nc1nc(-c2ccc(F)cc2)c(C#N)s1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZARRRYJLAUMVRN-KVAAJVFYSA-N", "SMILES:Cc1[nH]c2cc(F)c(N3CCC(C(=O)N4CCOCC4)CC3)cc2c1/C=N/Nc1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZRFJILHOJOIF-ODNPBWNPSA-N", "SMILES:CCN1CCN(C(=O)C2CCN(c3cc4c(/C=N/Nc5nc(-c6ccc(F)cc6)c(C#N)s5)c(C)[nH]c4cc3F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKORIAROAMRBW-SPKJYZRXSA-N", "SMILES:Cc1[nH]c2cc(F)c(N3CCN(CCN(C)C)CC3)cc2c1/C(=N/Nc1nc(-c2ccc(F)cc2)c(C#N)s1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNPBXZHFCKIGH-AWYAZMPSSA-N", "SMILES:COc1ccc(-c2nc(N/N=C(/c3c(C)[nH]c4cc(F)c(N5CCN(CCN(C)C)CC5)cc34)C(F)(F)F)sc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3186509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMSUDQYHPSNBSN-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARPYCITMAHXAE-CZUOOHDMSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCO[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc32)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMGWTFVKYNMMDE-DWVGVLABSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCO[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc32)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDGNUBKQNXLNL-KPOWLJOUSA-N", "SMILES:COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZOGPLPCYMUOY-VYHVXXRISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCO[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc32)S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STBVZHYGQWMMTR-DWVGVLABSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCO[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc32)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPSFLFZMZUDWEG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(N)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIFBXUHWWIHKN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccccc4C)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTGBPHQGZLJZMT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4cccc(C)c4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFNYIMKDSSUGRT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccc(C)cc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDCVGFBGJOAFDT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccccc4OC)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LADDOWVDQOCMKX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4cccc(OC)c4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCKWOBGLYAVKW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccccc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHVRYUFNCFLGC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccccc4Cl)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIACGWMGFQURPP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4cccc(Cl)c4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHUXBIHGMBIJO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccc(Cl)cc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIWNNHWQSYTFC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccccc4F)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSYPDOYYMJFKT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4cccc(F)c4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCGLCNVKSWXRPQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccc(F)cc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAKBRZLMRCEKR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4cccc(C(F)(F)F)c4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHPRYDRCGTWBG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccc(C(F)(F)F)cc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMKUZUPGENABNA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4c(F)cccc4F)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVAATGYGDZJPQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccc5c(c4)OCO5)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJDDWZJEIXHTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccco4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRLZHJIZPDWDZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4cccs4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHIHAJBBLKCMOU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4cccnc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTEJZJXQBFDFHL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(NC(=O)c4ccncc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQDSZKNDEHZKOL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(N(C(C)=O)C(C)=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJTUSLOGCURSQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(N(C(=O)c4ccccc4C)C(=O)c4ccccc4C)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZOLOMRLOAVMP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(N(C(=O)c4ccc(C)cc4)C(=O)c4ccc(C)cc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGBBSPJKYVNXLO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(N(C(=O)c4cccc(OC)c4)C(=O)c4cccc(OC)c4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZQLKVYSWYANC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2oc3cc(-c4ccc(OC)cc4)cc(OC(C)=O)c3c2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEXDXIKUOGYYIT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(N(C(=O)c4ccccc4Cl)C(=O)c4ccccc4Cl)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPRWIDNOCRZLSZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(N(C(=O)c4ccccc4F)C(=O)c4ccccc4F)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGJMFYDYTWMMW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(N(C(=O)c4c(F)cccc4F)C(=O)c4c(F)cccc4F)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIOYIVFVKHSLHF-CIVUBGFFSA-N", "SMILES:CCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"name": "Long-chain-fatty-acid--AMP ligase FadD28", "xref": ["CHEMBL.TARGET:CHEMBL5766"], "id": "UniProtKB:P9WQ59", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase", "xref": ["CHEMBL.TARGET:CHEMBL5182"], "id": "UniProtKB:P9WQ51", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBZUJPUJZTVJCO-WGQQHEPDSA-N", "SMILES:CCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"name": "Long-chain-fatty-acid--AMP ligase FadD32", "xref": ["CHEMBL.TARGET:CHEMBL4295665"], "id": "UniProtKB:O53580", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYPBZKSPJNLFS-FGSUIDRYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYQHZMNRMKGOH-VJUOEERUSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMENLHDYMIKWIZ-VGSCBBJJSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYDHUOLVOCOQD-CIVUBGFFSA-N", "SMILES:NCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTENCTLFICQDAC-QTQZEZTPSA-N", "SMILES:CCCCCCCCCC(C)(C)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBWAYZOXJLZUNO-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCSc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJBZSIDEJTZCLE-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCNc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYLHBWGTORCPJ-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(F)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTXREIPCZORLK-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(F)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBDRSBHLCJIJDR-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(Cl)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNVNKQSYOYDSV-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(Cl)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNXMFZPCYXLFZ-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(Br)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLAXNPMKHSQIH-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(C(F)(F)F)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVULGWJUTRHNDF-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(C(F)(F)F)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCMIBWWMYOXIF-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2C(F)(F)F)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSQXMUCGGCMPJ-GUYMFIDCSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc3ccccc23)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQWKJZHXZDIJPZ-GUYMFIDCSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc3ccccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHJSYVVAGQVYEC-AEVYOOLXSA-N", "SMILES:CCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQHKXVXUSBDOOF-GFCVIOQMSA-N", "SMILES:CCCCCCCCC[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGMQGLWXNSDCGW-HAXDFEGKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKWIVOQUBXFHCE-CIVUBGFFSA-N", "SMILES:[N-]=[N+]=NCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRIGNDIFPKPGQ-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHJNYNTVABVIEB-VJUOEERUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLHORBHQMFHCH-VGSCBBJJSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDEAFXITXQUMNN-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2F)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCWWPOLTDQUHI-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2Cl)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIECWMOPTHOIKC-VGSCBBJJSA-N", "SMILES:COc1ccc(OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVNJYSYTYJKGOS-VGSCBBJJSA-N", "SMILES:COc1cccc(OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLFYYDVYKDRRN-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHGDUGVQSAKOR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccncc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJBHDCQXVDDIJD-UHFFFAOYSA-N", "SMILES:CCCNC(=O)Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWQKNQRHISWOP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1F)Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBZVMKCOKELFC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXUSEWWJQJNTI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDAJBXDNCGOTFY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADPBSLWBQNSPIO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc2c(c1)Oc1ncccc1C(=O)N2Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUOFJYWXJHGQMM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc2c(c1)Oc1ccccc1C(=O)N2c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPAYDVLAMWIBOW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccncc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWCTVZBKDGYFCL-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHYRYKRHQMXQKZ-UHFFFAOYSA-N", "SMILES:CC(C)(O)C(=O)Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLSUCDVLIJDRY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(N2C(=O)c3cccnc3Oc3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc32)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQVRSCPORIUCDA-UHFFFAOYSA-N", "SMILES:Nc1cc(N2C(=O)c3cccnc3Oc3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc32)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJDEKJRGTUTBT-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2c(o1)C(=O)C(Nc1ccccc1C)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKMJDBDFJFQKNU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC2=CC(=O)c3cc(C(C)=O)oc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACPOUJIDANTYHO-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2n[nH]c3cccc1c23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4531109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMFVICCTJZQVDM-PDGQHHTCSA-N", "SMILES:O=C1Nc2ccccc2N/C1=C\\C(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNEOVAHITUYEHR-ZROIWOOFSA-N", "SMILES:O=C1Nc2ccccc2N/C1=C\\C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKWPZRRBPHEAD-ZROIWOOFSA-N", "SMILES:O=C1Nc2ccccc2N/C1=C\\C(=O)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUCKREZLHBQANC-GDNBJRDFSA-N", "SMILES:Cc1ccccc1C(=O)/C=C1\\Nc2ccccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGAIZZRSFFBNV-UVTDQMKNSA-N", "SMILES:COc1ccccc1C(=O)/C=C1\\Nc2ccccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARPLCQHAJUBCN-ZROIWOOFSA-N", "SMILES:Nc1ccccc1C(=O)/C=C1\\Nc2ccccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSEBPFBXVWYGRO-ZROIWOOFSA-N", "SMILES:O=C1Nc2ccccc2N/C1=C\\C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSPYHLHFHALBH-GDNBJRDFSA-N", "SMILES:Cc1cccc(C(=O)/C=C2\\Nc3ccccc3NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZENEAZERGFZTJ-GDNBJRDFSA-N", "SMILES:COc1cccc(C(=O)/C=C2\\Nc3ccccc3NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYLDVWVFWCIRY-ZROIWOOFSA-N", "SMILES:Nc1cccc(C(=O)/C=C2\\Nc3ccccc3NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVUYBQSIVHMFR-FLIBITNWSA-N", "SMILES:CC(C)(C)OC(=O)N/C=C1\\Nc2ccccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNHGWNBISNBMG-JYRVWZFOSA-N", "SMILES:O=C1Nc2ccccc2N/C1=C\\C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLVGRQUDHSCNNV-ODLFYWEKSA-N", "SMILES:N#Cc1ccc2c(c1)N/C(=C\\C(=O)c1cccc3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMNWMCDNKNJMB-NVNXTCNLSA-N", "SMILES:N#Cc1ccc2c(c1)N/C(=C\\C(=O)c1ccccc1Cl)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCCVGKQEYVMCU-NVNXTCNLSA-N", "SMILES:N#Cc1ccc2c(c1)N/C(=C\\C(=O)c1ccccc1Br)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHVALQFRODLAX-DHDCSXOGSA-N", "SMILES:COc1ccccc1C(=O)/C=C1\\Nc2cc(C#N)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHZRPMRLJYDHPX-SXGWCWSVSA-N", "SMILES:Cc1ccccc1C(=O)/C=C1\\Nc2cc(C#N)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSHXDCVZWHOWCS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCNNC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283683", "category": ["biolink:ChemicalEntity"], "name": "DOMATINOSTAT", "xref": ["InChIKey:PRXXYMVLYKJITB-IZZDOVSWSA-N", "SMILES:Cn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)Nc4ccccc4N)c3)cc2)cn1"], "synonym": ["Domatinostat", "4sc-202", "Domatinostat", "Hdac inhibitor 4sc-202"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4800135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTZFGQDXFRBAZ-UHFFFAOYSA-N", "SMILES:Cc1cn(C)nc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXSXKHYWWZVLIV-QDSDBPGOSA-N", "SMILES:C/C=C1\\NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](CCC)OC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQCFCYPFJOOAV-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107784", "category": ["biolink:ChemicalEntity"], "name": "TASQUINIMOD", "xref": ["InChIKey:ONDYALNGTUAJDX-UHFFFAOYSA-N", "SMILES:COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C"], "synonym": ["Tasquinimod", "Tasquinimod", "Tasquinimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRJDFENBXIEAPD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNAYBFFSFQRSIT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCc3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUZTYSDBWCBNKP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cnc(C2(c3ccccc3)CCC(F)(F)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BREASWSBOVLQOH-UHFFFAOYSA-N", "SMILES:NCCCNCCCCCC(=O)NO"]}
{"name": "Polyamine deacetylase HDAC10", "xref": ["CHEMBL.TARGET:CHEMBL4802002"], "id": "UniProtKB:F1QCV2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTKBRPXPNAKVEQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3927842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURDNNVAYZDGDK-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc2nc(N3CCNCC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQDUPMLKZWICV-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1OCCCOc1ccc(-c2cssc2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBNRVMRRLZKZTI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc([N+](=O)[O-])cc3)ncnc2cc1OCCCOc1ccc(-c2cssc2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPKAHPNGMKTOQD-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCOc1ccc(-c2cssc2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBEBVJJYWGRTOL-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3cccc(C(F)(F)F)c3)ncnc2cc1OCCCOc1ccc(-c2cssc2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGVJUDRLYCMUSE-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3cc(OCCCOc4ccc(-c5cssc5=S)cc4)c(OC)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSOYIKTUNKRNSC-UHFFFAOYSA-N", "SMILES:C=CCSSCCC(=O)OCCCOc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGCXHDVUKZSOW-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-c2cssc2=O)cc1)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTIUWYMIJLMPST-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCOc1ccc(-c2cssc2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISOXVRWVHHVTF-UHFFFAOYSA-N", "SMILES:C=CCSSCCC(=O)OCCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXDNOTVLLGLDZ-UHFFFAOYSA-N", "SMILES:C=CCCSSCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTWHDNBIISUYIF-UHFFFAOYSA-N", "SMILES:C=CCCSSCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PINMFCCYEMUFBC-MDWZMJQESA-N", "SMILES:Cc1cccc2sc(NC(=O)CN3C(=O)S/C(=C/c4ccco4)C3=O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWXKGGNFDDOYOU-MDWZMJQESA-N", "SMILES:O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICAVJFZAMZEZFA-NTUHNPAUSA-N", "SMILES:O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAQNXOGYGLYNSY-MDWZMJQESA-N", "SMILES:O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJARPKCKZJCRAS-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cccs1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIDNIHEOHAIAB-IBRXEVPMSA-N", "SMILES:CC(C)(C)OC(=O)NCC(=O)NCC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEBNAFTGXEIBC-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCOc1ccc2c(c1)CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZJGMBVDMDDDQK-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCOc1ccc2c(c1)CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORCRSSCCAFUSNQ-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCCOc1ccc2c(c1)CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKYBDFPZHGUAE-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCCOc1ccc2c(c1)OCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQKVNDLWFDZRD-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCOc1ccc2c(c1)CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOSUCZXDHXXVJI-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCOc1ccc2c(c1)CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPNXDSCKITWLI-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCCOc1ccc2c(c1)CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTBKPEXRXBOHSR-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1ccc2c(c1)OCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMPLSFFZNCOPY-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCOc1ccc2c(c1)OCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKPCTKGZGRHKG-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCOc1ccc2c(c1)OCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSHBUQNGVSXEBC-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCCOc1ccc2c(c1)OCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDMBQVTFUHJLX-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCCCCOc1ccc2c(c1)OCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRBPYQQZHHFAGC-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCOc1ccc(C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAWMNGRLUXFSSI-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCCOc1ccc(C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSOFWBMWHAUHT-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCOc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZJDAKTYZTUEES-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCOc1ccc(C(C)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZXVWFVQHNFOX-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCOc1ccc(C(C)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFSEUCNGCDMSI-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCOc1ccc(C=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEACVEOZHSXCTF-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCCCOc1ccc(C=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWHOXLWJKGOSE-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCCOc1ccc(C=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKXZUMEBFNDAX-PHDIDXHHSA-N", "SMILES:Nc1nc2c([nH]1)c1c(c3[nH]c(N)nc32)[C@H](CNC(=O)c2[nH]cc(Br)c2Br)[C@H]1CNC(=O)c1[nH]cc(Br)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCMYEMHXIIFYLP-UHFFFAOYSA-N", "SMILES:CCCCNc1nc2ccc([N+](=O)[O-])cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZVQHGJFDQXIZ-UHFFFAOYSA-N", "SMILES:Brc1ccc2nc(NC3CCCCC3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCONSHZHRMDXFX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(Nc3ccccc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZSCDLYZOXOVOO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(NC3CCCCC3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBLMQUXYSADCJX-UHFFFAOYSA-N", "SMILES:CC(C)CNc1nc2ccc([N+](=O)[O-])cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMPZRJHVILPMZ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc2cc([N+](=O)[O-])ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZQLYCMLGSOHOX-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDBFEJAQPVULSO-UHFFFAOYSA-N", "SMILES:CCCNc1nc2ccc([N+](=O)[O-])cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKYIXBVNYPKOLW-UHFFFAOYSA-N", "SMILES:CCCCNc1nc2cccc(C(=O)OC)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWJCOYHJMQKLJS-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2nc(NC3CCCCC3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSPNAGJOKGRYDJ-UHFFFAOYSA-N", "SMILES:Clc1ccc2nc(NC3CCCCC3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRRJNXOHVDCSOH-UHFFFAOYSA-N", "SMILES:CCCCNc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COXBSNLKKNOHRN-UHFFFAOYSA-N", "SMILES:CCCCNc1nc2ccc([N+](=O)[O-])cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAENGQYHFQWVKP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYCFZUSOBOBIN-AQJXLSMYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUIVPHJNMUTNHC-JMNYKWSOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVKYIUFJEDANQO-VJANTYMQSA-N", "SMILES:NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"name": "Neuropeptide FF receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4571"], "id": "UniProtKB:Q9EP86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Neuropeptide FF receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3425"], "id": "UniProtKB:Q9EQD2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSPDMCSKYUFBX-ZJZGAYNASA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2165920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFZCLMZUABKABL-GVCDGELBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWZUHUCXHAVHQ-XPKSBRBGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZKUPZOZUGSSGT-QORCZRPOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMKHUSRDQFQHAK-RNJMTYCLSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWBXRGRMQZCSS-QHCPKHFHSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VREKBHVPVINEDT-ISKFKSNPSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIAMNAXKRHKRFB-YKPIBRNVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQODKPDOYBQBRL-GJOOVXBSSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLFNAHDPAHKVGI-ZKUUFLNTSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSNUZKGXUCSGJW-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=N)N)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBIUQBDINOYEEJ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=N)N)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PERQEXSBEQMUKF-YRQQTYEQSA-N", "SMILES:Cl.N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTMACVBCUKXFY-GAYQJXMFSA-N", "SMILES:Cl.NC(N)=N/N=C/c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBDICMYLSPJKNO-GAYQJXMFSA-N", "SMILES:Cl.N=C(N)N/N=C/c1ccc(Br)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMYOUCJVJYJITH-CQCNNJTASA-N", "SMILES:Cl.N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFSWZVIMJNAQQ-HBMMOJBUSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(cc(C)c(C)c1OC)[C@@H](C(=O)Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKBUZRULUXLLI-HLSZOEHGSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)CC3)[C@@H](C(=O)Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVAAQNGTAUNPZ-LJAQVGFWSA-N", "SMILES:O=C(N[C@@H](CCCN1CCCCC1)C(=O)NCCc1ccccc1)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNVYHOLXHHKAU-URXFXBBRSA-N", "SMILES:CCCCCOC(=O)[C@@H]1C[C@H](NCc2ccc(OC)cc2)CN1Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWXFCDKOQOSKZ-HOFKKMOUSA-N", "SMILES:COc1ccc(CN[C@H]2C[C@@H](C(=O)OCCc3ccc([N+](=O)[O-])cc3)N(Cc3ccccc3Cl)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFQZUVFYUMXZOI-UHFFFAOYSA-N", "SMILES:NC1=NC=C(c2ccc(Cl)c(Cl)c2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFCFQOSILVHWOJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC(=O)Nc2cc(C(C)(C)C)ccc2O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPGIDHMSRTRRI-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(C(C)(C)C)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEIORROWZLRWNN-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCC(=O)Nc2cc(C(C)(C)C)ccc2O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJYAEADYYOKAA-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(C(C)(C)C)c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMOYHSVPDPATSS-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(C(C)C)c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGHNRLCWJLFAG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCC(=O)Nc2ccc(C(C)(C)C)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFEGMWGSMAMFRV-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCC(=O)Nc2ccc(C(C)C)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVMQLZTEHBYDT-UHFFFAOYSA-N", "SMILES:CCC(C)c1ccc(NC(=O)CCCCN2CCN(c3ccccc3OC)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAPHEWNBGVEBEH-UHFFFAOYSA-N", "SMILES:CC(C)CN1C(=O)N(C)C(=O)C2NC=NC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVCOBWSEWMBML-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC(=O)Nc2cccc(C(C)C)c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYOBFPQTKNNLZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC(=O)Nc2cccc(C(C)(C)C)c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCKXVWGETQBHFM-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(C(C)C)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZQQBYMUTFXWCX-UHFFFAOYSA-N", "SMILES:CCC(C)c1ccc(NC(=O)CCCN2CCN(c3ccccc3OC)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZRWWKHTCAJCZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGCJKHPAJDWSR-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC(=O)Nc2ccccc2O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEPLFRAGZVDZKY-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC(=O)Nc2ccccc2C(N)=O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATUFFWTQKAHQK-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBFSTQJKLZFPQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)CCCN1CCN(c2ccccc2OC)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKRSHAROIQQHML-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(C(=O)OC(C)(C)C)c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPJLIYBBAYIHP-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCC(=O)Nc2ccccc2O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHLODPDQMVDNW-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCC(=O)Nc2ccccc2C(N)=O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHVDECRJJTXJHW-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDYUGFQDNTNLB-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)CCCCN1CCN(c2ccccc2OC)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTSDROSKAJWQG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCC(=O)NCc2ccc(C(C)(C)C)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVBFPYOQPTNLO-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCC(=O)Nc2cc(C(C)(C)C)ccc2O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLVINNQYJRVOK-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCC(=O)Nc2cccc(C(C)(C)C)c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAWHXPBHUPEMEJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCC(=O)Nc2cccc(C(C)C)c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKGJWLNHMOMIC-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(C(C)(C)C)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAGFQLCFQWGDL-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(C(C)C)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDPUDIPOIFUECM-UHFFFAOYSA-N", "SMILES:CCC(C)c1ccc(NC(=O)CCCCCN2CCN(c3ccccc3OC)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEPBICRLHIIDU-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILJSOQFSWJCDX-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccccc2O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBRHHDKRSBRXQH-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2O)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKIXEGNSOZGPCY-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)CCCCCN1CCN(c2ccccc2OC)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRBVYKFKCTTYEH-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3c(OC)cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQPRAUYEQZDEY-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1c[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEFMESOZSPQRM-DTPHEGETSA-N", "SMILES:COc1ccc(COC[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](N)C[C@H]3N)[C@H](O)[C@@H](N)[C@@H]2OCc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFGQAIXGNHPQM-DTPHEGETSA-N", "SMILES:Cc1ccc(COC[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](N)C[C@H]3N)[C@H](O)[C@@H](N)[C@@H]2OCc2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQPKKFZRXIBQG-CAPDEMQOSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COCc4ccc(Cl)cc4)[C@@H](OCc4ccc(Cl)cc4)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJHYLFJPIHZPO-CAPDEMQOSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COCc4ccc(F)cc4)[C@@H](OCc4ccc(F)cc4)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKZIBGJSRWVSSS-YCSFWMHWSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COCc4ccc5ccccc5c4)[C@@H](OCc4ccc5ccccc5c4)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCCCBMZKOZYCC-KYYFEWBDSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COCc4cccc(-c5ccccc5)c4)[C@@H](OCc4cccc(-c5ccccc5)c4)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEXEMVZTABOBD-MJOPLTPXSA-N", "SMILES:Cc1ccc(OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](N)C[C@H]3N)[C@H](O)[C@@H](N)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWUZKQENYNHGH-OSMKSXLKSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COc4ccc(Cl)cc4)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGDKAXDPCWWHF-YULMUCNISA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COc4ccc(-c5nc6ccccc6[nH]5)cc4)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPZOYCXOFCVGNO-NBWXLOLZSA-N", "SMILES:N[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CNC(=O)c4ccccc4-c4c5ccc(=O)cc-5oc5cc(O)ccc45)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N)O[C@H](CO)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKNLXJOULRAFOO-BTEAEAAVSA-N", "SMILES:N[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CNC(=O)CCCc4cc5ccc6cccc7ccc(c4)c5c67)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N)O[C@H](CO)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1384", "category": ["biolink:ChemicalEntity"], "name": "KANAMYCIN", "xref": ["InChIKey:SBUJHOSQTJFQJX-NOAMYHISSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Kanamycin", "Kanamycin", "Kanamycin", "Kanamycine", "Kanamicina", "Kanamycin", "Kanamycin", "Kanamycins"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"name": "Gap junction beta-2 protein", "xref": ["CHEMBL.TARGET:CHEMBL4295738"], "id": "UniProtKB:P29033", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZJGCPWLNFLSKF-JMTDOGIVSA-N", "SMILES:CCCCCCCCCCCC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDSZTZZGYKJPBL-MJOPLTPXSA-N", "SMILES:Cc1ccc(S(=O)(=O)OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](N)C[C@H]3N)[C@H](O)[C@@H](N)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIALUAUTVFGMPL-MJOPLTPXSA-N", "SMILES:COc1ccc(OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](N)C[C@H]3N)[C@H](O)[C@@H](N)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRJOEDBLGPGOLZ-OSMKSXLKSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COc4ccccc4)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWAABXLJFCBPEX-OSMKSXLKSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COc4ccc([N+](=O)[O-])cc4)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAUUSYCOBVPMC-SVNVMMNPSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COc4ccc(-c5ccccc5)cc4)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVRKXQKCIZCAIQ-NBWXLOLZSA-N", "SMILES:NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CNC(=O)c4ccccc4-c4c5ccc(=O)cc-5oc5cc(O)ccc45)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLNQQRMNBIMJLQ-GWFZJZCASA-N", "SMILES:N[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CNC(=O)c4ccc5cc(O)ccc5c4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N)O[C@H](CO)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHJVCQQWTYUAQ-MDWBYSHNSA-N", "SMILES:COc1ccc2cc(C(=O)NC[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](N)[C@H]5O)[C@H](N)C[C@@H]4N)[C@H](O)[C@@H](O)[C@@H]3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLODOWPWWSLOSU-ZSNADLKQSA-N", "SMILES:N[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CNC(=O)c4cc(-c5ccccc5)nc5ccccc45)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N)O[C@H](CO)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMGMIMSZBLPQCW-SLBGISSRSA-N", "SMILES:CCCCCCC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOGNHCPLYDRND-NWZRKXCLSA-N", "SMILES:CCCCCCCC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDSHOBROBMXCMH-WOKBKBCNSA-N", "SMILES:CCCCCCCCCC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIKODBQYDIGIR-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEZAYIDJYAUMRT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBGWTLYSXTXTFL-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2ccccc2C2=C1C(c1cccc(O)c1)NC(=S)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHILJPMNHEBOY-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2ccccc2C2=C1C(c1cc(O)cc(Br)c1)NC(=S)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIHJCHPQDXHBNF-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2ccccc2C2=C1C(c1ccc(Cl)c(O)c1)NC(=S)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTADLNRBXQNKGI-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc(C2NC(=S)NC3=C2C(=O)C(=O)c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJXOOIDFGPYFNI-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2ccccc2C2=C1C(c1cc(O)cc(Cl)c1)NC(=S)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGNPYOYJBTZNQC-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2ccccc2C2=C1C(c1cc(O)ccc1F)NC(=S)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSMDGBTYJHURJ-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2ccccc2C2=C1C(c1cccc(O)c1Cl)NC(=S)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBBQXYRWMCIPV-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2ccccc2C2=C1C(c1cc(O)ccc1Br)NC(=S)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMVPNGNXNKRAFJ-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cccc(Br)c2C2=C1C(c1cccc(O)c1)NC(=S)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKDMMSFGPJUCT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)C(=O)C1=C2NC(=S)NC1c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCBMJMXWOHICOJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C1=C(C(=O)C2=O)C(c2cccc(O)c2)NC(=S)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVQRWOHMRLCJFC-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2cc(F)ccc2C2=C1C(c1cccc(O)c1)NC(=S)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POTHOWBITKGCMG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C1=C(C(=O)C2=O)C(c2cccc(O)c2)NC(=S)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQCOJWYPNMAQJZ-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2ccc(Cl)cc2C2=C1C(c1cccc(O)c1)NC(=S)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCQCFHKEZZWJPB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C1=C(C(=O)C2=O)C(c2cc(C)cc(O)c2)NC(=S)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJSDWDRAOLXDU-UHFFFAOYSA-N", "SMILES:CSCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZTWZDKTWIIJNG-UHFFFAOYSA-N", "SMILES:O=C(OCC(F)(F)F)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPYVEGJAOLDDOP-UHFFFAOYSA-N", "SMILES:O=C(OCCl)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYSIPEAXDMBPQP-UHFFFAOYSA-N", "SMILES:CCOC(=O)OCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQZAQRSTOVCGZ-UHFFFAOYSA-N", "SMILES:CC(=O)OCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKIRZNHNNUOQE-UHFFFAOYSA-N", "SMILES:O=C(O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFPWOWOCNYRAG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBNGUKQXJYWDD-UHFFFAOYSA-N", "SMILES:O=C(O)c1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVIYGVVOOCNSC-UHFFFAOYSA-N", "SMILES:COCCOCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJLRTDVQPXBODJ-UHFFFAOYSA-N", "SMILES:CCOCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQJFPYJLJBDVLP-UHFFFAOYSA-N", "SMILES:COCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYEAXQWKUKSZHX-UHFFFAOYSA-N", "SMILES:Cc1oc(=O)oc1COC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGCAHBOQZJJFZ-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRSLHVSOSFYKNS-UHFFFAOYSA-N", "SMILES:COC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCGMQSJDJBNGZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N(C)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXBOVNPTMCWXOD-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)c(F)cn(C3CCCO3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQRLBZRJTWWYHA-UHFFFAOYSA-N", "SMILES:CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)c(F)cn(C3CCCO3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCUOGVWTGPIBF-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N(Cc2ccccc2)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZGHKMHKVKHLU-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVHPXTOEOVZTDG-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFLUMCJMFGYHAX-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C(=O)c2cc(C(C)C)c(O)cc2O)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLVDKKWKWIFNT-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)[nH]cc(F)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCEZTWLMSBOUER-UHFFFAOYSA-N", "SMILES:C=CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)[nH]cc(F)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOASCNVBYWUAN-UHFFFAOYSA-N", "SMILES:C#CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)[nH]cc(F)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEICQMBWAQAIQX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYHDBIFEIBAGRS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCWNFIGCHHELZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGGGQSJQYORLV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUGEGOFOISCIY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CCNc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZKKQCGWOTQAF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CCOc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBQDCPJGPVLGKK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(COCc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWWQXOKIFCFZLA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSKSSOVVYHDGZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDFREKQACXXYEK-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYIWYVONZDUDJR-UHFFFAOYSA-N", "SMILES:CCS(=N)(=O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJWLDLHESDRJSA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBXOMTPGJXMWKL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMKNUHJUZFKQMG-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYOCHFKDFUMFW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(=O)O)cc1)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBAVYJYWRYFFEJ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLBITRXAUAPUPY-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMQFGTUFDCDLOO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(O)CO)cc1)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUQUQXGOYYSOV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(O)C(=O)O)cc1)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTHHCLPBLVBPY-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBFFRUPHUCBCTE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)C(=O)O)cc1)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULBXVJCCLHPRTD-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)C(=O)O)cc1)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLJWPJCMJLYDM-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFBEPKOWMVSIO-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNCLZKGQOQCSQ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGDKXGGTMPHEL-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)ccc1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZYLMSFNOAHCDQ-UHFFFAOYSA-N", "SMILES:Cc1cc(CC(=O)O)ccc1CNC(=O)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGMLEAPNNGWQGI-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDJXHHMHODULKW-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMNKUXZISSZDF-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFYGAHDGTOUGEH-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(CNC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYAAKWDFQDFROH-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQFLWLMPOPTEPT-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)NCc2ccc(C(C)C(=O)O)cc2)cc(Cl)c1-c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWAUYWYECHQAB-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(C#N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXMIGVKVRFSQI-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)NCc2ccc(CC(=O)O)cc2)cc(C)c1-c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSNLAJCVSZWOHX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)NCc2ccc(CC(=O)O)cn2)cc(C)c1-c1ccccc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXQEUHAHULCRU-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNC(=O)Nc2cc(F)c(-c3ccccc3OC(F)(F)F)c(F)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGINBPKDFJSKCS-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOWLGKWJTBNPJL-FNORWQNLSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOOWHZYYXJNSD-FNORWQNLSA-N", "SMILES:Fc1cc(F)cc(-c2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWKWAKJEHNCJDL-GQCTYLIASA-N", "SMILES:Fc1cc(F)cc(Sc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGGEGBXSUZHQZ-GQCTYLIASA-N", "SMILES:Fc1cc(F)cc(Oc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXYANPOILYZHX-GQCTYLIASA-N", "SMILES:Fc1cc(F)cc(Nc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQLJOQKYBXUIFI-FNORWQNLSA-N", "SMILES:CN(c1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTSGFRRREQFWGK-VQHVLOKHSA-N", "SMILES:Fc1cc(F)cc(CCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROWJAVCITQHSST-GQCTYLIASA-N", "SMILES:O=C(Nc1ccc2[nH]nc(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIBHJHBQKAMDOY-GQCTYLIASA-N", "SMILES:Fc1cc(F)cc(COc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJEQTEVIXYPEPD-FNORWQNLSA-N", "SMILES:Fc1cc(F)cc(OCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNTSEJJXGJAWBN-GQCTYLIASA-N", "SMILES:Fc1cc(F)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCCHANPQRKRIO-FNORWQNLSA-N", "SMILES:Fc1cc(F)cc(NCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDMQHDILMFAMEX-FNORWQNLSA-N", "SMILES:CN(Cc1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMXHZKBTHOMBT-SOFGYWHQSA-N", "SMILES:CN(Cc1ccc2[nH]nc(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNCTXHNZVXWKX-PKNBQFBNSA-N", "SMILES:C(=C/c1n[nH]c2ccc(NCc3ccccc3)cc12)\\c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOWTUSBRJBRQBT-CSKARUKUSA-N", "SMILES:Fc1ccccc1CNc1ccc2[nH]nc(/C=C/c3ccccn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLXBSFDJKLDGBF-VQHVLOKHSA-N", "SMILES:Fc1cccc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWWDGFCKMLJGIQ-CSKARUKUSA-N", "SMILES:Fc1ccc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHKCNLPGORPBKO-GQCTYLIASA-N", "SMILES:Fc1cc(Cl)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWVGJPGEHUORGV-GQCTYLIASA-N", "SMILES:Fc1cc(Br)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMEGQNKGSCVGJZ-FNORWQNLSA-N", "SMILES:Cc1cc(F)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIVNLRJLMBFTMY-FNORWQNLSA-N", "SMILES:COc1cc(F)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNFPFLPJDNMARR-GQCTYLIASA-N", "SMILES:Fc1cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELQWDIGSWMICE-GQCTYLIASA-N", "SMILES:N#Cc1cc(F)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHOXAGNPCZTRBN-DYLGSBMWSA-N", "SMILES:C[C@H](Nc1ccc2[nH]nc(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHOXAGNPCZTRBN-HZRUHFOJSA-N", "SMILES:C[C@@H](Nc1ccc2[nH]nc(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXOYWUKGLGKNBA-VQHVLOKHSA-N", "SMILES:Fc1cc(F)cc(C#Cc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLIZGFRNWCLCQF-FNORWQNLSA-N", "SMILES:O=C(Nc1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCARUZAAOKRPJG-UMAWGDKSSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C/C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMLHIRSNCDVOO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(C#N)cc2)ccc1C(O)c1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMLHIRSNCDVOO-RUZDIDTESA-N", "SMILES:COc1cc(-c2ccc(C#N)cc2)ccc1[C@@H](O)c1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMLHIRSNCDVOO-VWLOTQADSA-N", "SMILES:COc1cc(-c2ccc(C#N)cc2)ccc1[C@H](O)c1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGUYOVPBIAHKP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(C(O)c3ccc(-c4ccc(C#N)cc4)cc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGUYOVPBIAHKP-XMMPIXPASA-N", "SMILES:N#Cc1ccc(Nc2nccc([C@H](O)c3ccc(-c4ccc(C#N)cc4)cc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGUYOVPBIAHKP-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(Nc2nccc([C@@H](O)c3ccc(-c4ccc(C#N)cc4)cc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSDODWDGOTXMEA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(C(O)c3ccc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSDODWDGOTXMEA-XMMPIXPASA-N", "SMILES:N#Cc1ccc(Nc2nccc([C@H](O)c3ccc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSDODWDGOTXMEA-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(Nc2nccc([C@@H](O)c3ccc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVMKVGLWWWVHNE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)ccc1C(O)c1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVMKVGLWWWVHNE-RUZDIDTESA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)ccc1[C@@H](O)c1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVMKVGLWWWVHNE-VWLOTQADSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)ccc1[C@H](O)c1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDJSUJAJDJUHW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(C(O)c3ccc(-c4ccc(C#N)cc4)cc3C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDJSUJAJDJUHW-XMMPIXPASA-N", "SMILES:N#Cc1ccc(Nc2nccc([C@H](O)c3ccc(-c4ccc(C#N)cc4)cc3C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDJSUJAJDJUHW-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(Nc2nccc([C@@H](O)c3ccc(-c4ccc(C#N)cc4)cc3C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNDOXYPXMIYXSK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(C(O)c3c(F)cc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNDOXYPXMIYXSK-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(Nc2nccc([C@H](O)c3c(F)cc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNDOXYPXMIYXSK-XMMPIXPASA-N", "SMILES:N#Cc1ccc(Nc2nccc([C@@H](O)c3c(F)cc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUQMYSDQQXQODI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1C(O)c1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUQMYSDQQXQODI-SANMLTNESA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1[C@@H](O)c1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUQMYSDQQXQODI-AREMUKBSSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1[C@H](O)c1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSJUVJIOLSKUFS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXDVTPBESAXFP-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2ccc3nc(Nc4ccc(-c5nc(N6CCOCC6)nc(N6CCOCC6)n5)cc4)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWWWLWINFJYDAB-DEOSSOPVSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWWWLWINFJYDAB-XMMPIXPASA-N", "SMILES:NC(=O)[C@H]1CCCN1C(=O)c1ccc2nc(Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHCJBJOQQVZPIT-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCCN1C(=O)c1ccc2nc(Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTKHKHKTWMTSDM-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCN(C(=O)c2ccc3nc(Nc4ccc(-c5nc(N6CCOCC6)nc(N6CCOCC6)n5)cc4)[nH]c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETDLJCTQLLSIT-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCN(C(=O)c2ccc3nc(Nc4ccc(-c5nc(N6CCOCC6)nc(N6CCOCC6)n5)cc4)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVOZOWDAHTMBB-UHFFFAOYSA-N", "SMILES:NC(=O)C1(N)CCN(C(=O)c2ccc3nc(Nc4ccc(-c5nc(N6CCOCC6)nc(N6CCOCC6)n5)cc4)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBGYJJWVQQNQDI-KRWDZBQOSA-N", "SMILES:C[C@H](NC(=O)c1ccc2nc(Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)[nH]c2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKJPGDRCDUPMA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2nc(Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)[nH]c2c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMJTYCPNSWDLA-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc3nc(Nc4ccc(-c5nc(N6CCOCC6)nc(N6CCOCC6)n5)cc4)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVIFHQYABOIIEM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(C(=O)c2ccc3nc(Nc4ccc(-c5nc(N6CCOCC6)nc(N6CCOCC6)n5)cc4)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSFSEODSLVZNT-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGSLYKNWKLRQGK-DJOICOCKSA-N", "SMILES:Nc1ccc2ccccc2c1/N=N/c1ccc(/C=C/c2ccc(/N=N/c3cccc4ccccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZRBFWPPJIFCSV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)c(C)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SALIJFSPLUEJSE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2cc3ccccc3s2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNFFUTXZDHHMU-UHFFFAOYSA-N", "SMILES:COc1c(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)sc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQDLCCSXAVAWNT-UHFFFAOYSA-N", "SMILES:NC(=O)COc1c(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)sc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANAJHHBVUSFIF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAFUVAXDRNZXSW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGHIDBNTOMZSTP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2cccc([N+](=O)[O-])c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBFKHWNAYQCWQD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2[N+](=O)[O-])c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMUAWYVVQMXBG-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2c(C(=O)NCc3cccc(NC(=O)c4ccccc4)c3)sc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFLQIBOLMOCRG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNBBWDTQKIKGI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCDLZOQBIJTJLB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZAZJXQOGNVTD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEOJISSHRSGRB-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Nc2cccc(CNC(=O)c3sc4ccccc4c3OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBYDQEZCUIQYPA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(CNC(=O)c3sc4ccccc4c3OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAIFEFGUQDGMCO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3sc4ccccc4c3OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEIDOHYUZJURAA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOBNAGKFIZSBS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BETFTEFXCDVDHP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWNXVSNNDFJPX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTLCRCIBFEGFP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFVWLZNPIPADRC-UHFFFAOYSA-N", "SMILES:Nc1cccc(C(=O)Nc2cccc(CNC(=O)c3sc4ccccc4c3OCc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUNRSCQXPFDWFX-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2cccc(CNC(=O)c3sc4ccccc4c3OCc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZIAEBWUOCPMR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDERTOKDBNTBAJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGEHWIKRSUPVJI-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTMGFNDWUXMKHE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNQKJDANCNUSJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGMYRVTLCSARN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVLTUXESQYWTR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(CNC(=O)c3sc4ccccc4c3OCc3ccccc3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWNUONWSWJHTG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUIKFKVGTYSNAG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRXSQLZOAXIQZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPGKHWZFAMLGAB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3sc4ccccc4c3OCc3ccccc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJRBUXNNWOXGF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZLTAIBUBSOQL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMMBBGNLPMCJLO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYNOXDQKNQIPN-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLIUKYYEQVRIV-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLUNIVBCMULTSG-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cccc(CNC(=O)c2sc3ccccc3c2OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPNCNELXOCCEGW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(OCc3ccccc3)c(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMTJLABEUXXZRY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3cc(Cl)ccc3c2OCc2ccccc2)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWWDRLWWFLMHB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OCc3ccccc3)c(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQTYYSYRTVIKHI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2sc3ccc([N+](=O)[O-])cc3c2OCc2ccccc2)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYDBHZJGACZOGV-UHFFFAOYSA-N", "SMILES:Nc1ccc2sc(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)c(OCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEIIPRVOFGOFPA-UHFFFAOYSA-N", "SMILES:CNc1ccc2sc(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)c(OCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLZJXMLPVNYEG-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2sc(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)c(OCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOUYPYNVDQGQSI-UHFFFAOYSA-N", "SMILES:CCNc1ccc2sc(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)c(OCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAIIHVUZRLPKN-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2sc(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)c(OCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKMKDGBCEYZDJY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2sc(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)c(OCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEWXICCLFQTXRG-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc2sc(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)c(OCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLGLHGCLJBABEG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2sc(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)c(OCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBAYZAOJXJKOGH-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNc1ccc2sc(C(=O)NCc3cccc(NC(=O)c4cccs4)c3)c(OCc3ccccc3)c2c1"]}
{"name": "Sentrin-specific protease 5", "xref": ["CHEMBL.TARGET:CHEMBL4802012"], "id": "UniProtKB:Q96HI0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDSQJUKYFCIYLG-MUFRIFMGSA-N", "SMILES:COc1cccc2c(Nc3ccc4[nH]c(C(=O)N/N=C/c5ccc(SC)cc5)cc4c3)cc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNOXQDORUXIUHT-MUFRIFMGSA-N", "SMILES:COc1ccc(/C=N/NC(=O)c2cc3cc(Nc4cc(C)nc5c(OC)cccc45)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQLMTIWJPGQPZ-ROPCREHHSA-N", "SMILES:COc1ccc(/C=N/NC(=O)c2cc3cc(Nc4cc(C)nc5c(OC)cccc45)ccc3[nH]2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTEYYNKSBBOVPV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3ncnc(Nc4cccc(NC(=O)Nc5cccc(F)c5)c4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOFABKHZHRAGIU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(Nc4cccc(NC(=O)Nc5ccc(F)cc5)c4)ncnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLLYPUWUDJNMX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(Nc4cccc(NC(=O)Nc5cccc(F)c5)c4)ncnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVVWIAXQMIMRPX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(Nc4cccc(NC(=O)Nc5ccc(F)cc5)c4)ncnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZSCXXULAXVJKH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(Nc4cccc(NC(=O)Nc5cccc(F)c5)c4)ncnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKACXTKWHOHMNI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)Nc1cccc(Nc2ncnc3cc(-c4cccs4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTGNAMDPJYRKX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)Nc1cccc(Nc2ncnc3cc(-c4cccs4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRQXIWXOBWSTOH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5ccc(F)c(Cl)c5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRRYMPLEKFSFGX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLDVTJGOCSQTLW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5ccc(F)cc5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDYRZUPKPBLND-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5cccc(F)c5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYLZXVLWHQORQQ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5ccccc5F)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDGTWRIBUAKJE-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5cccc(Cl)c5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZOLXORDXRFAJN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5ccc(Cl)cc5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMLBKWQHBPTUCE-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5cccc(Br)c5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXIDDHBYYZPCJD-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDZDWOFAGUFFM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5ccc(C(C)(C)C)cc5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEWHFRAYMYFLU-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)Nc2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOKMLSFBKQCUBX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5cccc(C(F)(F)F)c5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEQDZOKSFLOHV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRDRJMYECUEOL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)c5cccc(F)c5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJRAPHKVPXJRM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)c5cccc(Br)c5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTZIBBKDJUBFMP-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)c2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGSKAGNBGZCUKD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(C(=O)Nc5cccc(F)c5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEKGQGGZCQBARY-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(C(=O)Nc5ccc(F)cc5)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWJMNAKARMYPB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4cccc(N)c4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYIPHKBTFKDMP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKAIHKKFANSCIP-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBASNCJTKVISF-UHFFFAOYSA-N", "SMILES:O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULAVMNIQNILGK-QFIPXVFZSA-N", "SMILES:CC(C)Cc1ccc([C@H](C)C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASIBWLNNWSOLGC-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C(C2CCCCC2)C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQADCHUOSPSDQU-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKVUWOMIICCIDB-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZZGQAKSWYLSM-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCCCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDFLYEYVZMOIPC-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)C(C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPAJWINKAGPOAI-UHFFFAOYSA-N", "SMILES:O=C(CC12CC3CC(CC(C3)C1)C2)NCCCCCCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKGWWMHIDPNYAU-DEOSSOPVSA-N", "SMILES:CC(C)Cc1ccc([C@H](C)C(=O)NCCN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDLCPNCFVIRDRZ-SANMLTNESA-N", "SMILES:CC(C)Cc1ccc([C@H](C)C(=O)NCCCCN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUUXAZRIBAEKP-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)C(C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAYVRKUPSOZBSI-NDEPHWFRSA-N", "SMILES:CC(C)Cc1ccc([C@H](C)C(=O)NCCCCCCN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYRXIFLKYWYCX-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)C(C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWZFWPTQXIORK-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVNEAXFEGZPHX-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1C(=O)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUXOVFMOHVUJB-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZVKLHHUVAVOP-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cc(C)cc(C)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPICFOPHFKLTCU-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2ccc(Cl)c(C)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUMNVYQOGRNUTF-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cc(F)cc(C)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRCZEXOAMUOAP-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2c(F)ccc(C)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJLDFJCGXBHCG-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(Cl)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARPKUBPVDVPNDD-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2c(OC)ccc(OC)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNKVLYGGSXHFR-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cc(OC)cc(OC)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEJCUFNJDQUGLM-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(C(=O)OCCCC)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRJLWWBCWZZFK-UHFFFAOYSA-N", "SMILES:COC(=O)CC1c2cccc(C)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGVFUBZGPNSRF-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1S(=O)(=O)N(C(=O)c1ccc(C(F)(F)F)cc1)C2CC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUUQCYQQISUKIG-UHFFFAOYSA-N", "SMILES:CCCCOCCC1c2cccc(C)c2C(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWBVBRRAIRXKN-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1C(=O)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVMJRJQIYAJJW-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1C(=O)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOZOOQCBHOFXBE-UHFFFAOYSA-N", "SMILES:CCCCc1noc(CC2c3cccc(C)c3S(=O)(=O)N2C(=O)c2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVJKTFKURFFBIF-UHFFFAOYSA-N", "SMILES:CCCCc1nnc(CC2c3cccc(C)c3S(=O)(=O)N2C(=O)c2cccc(C(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMERSFMRTYXBSY-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJWASUSGOKRMQ-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSGMFYYUYBFPL-UHFFFAOYSA-N", "SMILES:CCCCOCCC1c2cccc(C)c2S(=O)(=O)N1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVOPSIPBZZRKJL-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSPRHNDODSRXRD-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1NC(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWGXUSGMNQTXMC-CVPIINBPSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccc2NC(=O)Cn2cc(CN(C)C)nn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYNBGCGMYKKOQ-UHFFFAOYSA-N", "SMILES:c1cc(N2CCOCC2)ccc1Nc1nc(-c2ccc3cn[nH]c3c2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUIFBARDNOUJP-UHFFFAOYSA-N", "SMILES:c1cc2nc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKZHVTAZNUPGOR-UHFFFAOYSA-N", "SMILES:c1nc2c(Nc3ccc(N4CCOCC4)cc3)nc(-c3ccc4cn[nH]c4c3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCZRDSMWHJDZIV-UHFFFAOYSA-N", "SMILES:c1nc2c(Nc3ccc(N4CCOCC4)cc3)cc(-c3ccc4cn[nH]c4c3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVLVNISRWNMKAN-UHFFFAOYSA-N", "SMILES:c1nc2c(Nc3ccc(N4CCOCC4)cc3)nc(-c3ccc4cn[nH]c4c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXGJWJNUAPKBBQ-KTZBTFSBSA-N", "SMILES:O=C(Nc1ccccc1F)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLIRQESQQWHUMD-IRXNFWJZSA-N", "SMILES:CCc1ccccc1NC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXYIMVIRWTMCH-NDTPWURASA-N", "SMILES:COc1ccccc1NC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYSAPGFPJYFMAN-RVLABJBRSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)cc1)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLIGUKDDQZHDY-RVLABJBRSA-N", "SMILES:O=C(Nc1ccc(-c2ccccc2)cc1)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DILIZEDZXAIKRE-VVGUWLOASA-N", "SMILES:CC(C)(C)c1ccc(Oc2ccc(NC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]4C(CO)=CC[C@H]34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZQXKOVJGZDJGK-OKKCLMDRSA-N", "SMILES:COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]2C(COCc3ccccc3)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXAXGEQETYDJPA-UUPFACAWSA-N", "SMILES:O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]2C(COCc3ccccc3)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFLCEQMVWPCST-WHONGJQHSA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(CNC(=O)C2=CO[C@@H](O[C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@@H]3C(COCc4ccccc4)=CC[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWLSHAZHNBLQL-PTEGIHCFSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)cc1)C1=CO[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]2C(COCc3ccccc3)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWPAUIYNQFKRDW-HLUHBDAQSA-N", "SMILES:COC(=O)C1=CO[C@@H](OC)[C@@H]2C(CO)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHYOCYHNDDERNY-QGPMSJSTSA-N", "SMILES:COC(=O)C1=CO[C@@H](OCc2ccccc2)[C@@H]2C(CO)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSVBWELJSPKIOJ-IRUJWGPZSA-N", "SMILES:CCO[C@@H]1OC=C(C(=O)OC)[C@H]2CC=C(CO)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOZBVITUKPZTH-IZKNHQTNSA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(OCC2=CC[C@@H]3C(C(=O)OC)=CO[C@@H](OCc4ccccc4)[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZGKMCAJNNXSY-SAYYVBKLSA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(OCC2=CC[C@@H]3C(C(=O)Nc4ccc(Oc5ccccc5)cc4)=CO[C@@H](OC)[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULVYQKPUAYJYAI-CYIHDNQOSA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(OCC2=CC[C@@H]3C(C(=O)Nc4ccc(Oc5ccc(-c6ccccc6)cc5)cc4)=CO[C@@H](OC)[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYGARKVBGNRQNC-YECGJSPOSA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(OCC2=CC[C@@H]3C(C(=O)Nc4ccc(Oc5ccc(Br)cc5Cl)cc4)=CO[C@@H](OC)[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAYYJXHNZSNZGZ-OATARSORSA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(OCC2=CC[C@@H]3C(C(=O)Nc4ccc(Oc5ccc6ccccc6c5)cc4)=CO[C@@H](OC)[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKENNNNJMFZMIE-CYIHDNQOSA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(OCC2=CC[C@@H]3C(C(=O)Nc4ccc(Oc5ccccc5)cc4)=CO[C@@H](OCc4ccccc4)[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHXIHKSNAIMSA-MXAZMUERSA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(OCC2=CC[C@@H]3C(C(=O)Nc4ccc(Oc5ccc(Br)cc5Cl)cc4)=CO[C@@H](OCc4ccccc4)[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL294467", "category": ["biolink:ChemicalEntity"], "name": "SODIUM VANADATE"}
{"id": "CHEMBL.COMPOUND:CHEMBL4781365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQEPWBMWFIVRPS-ZGSHZZHUSA-N", "SMILES:O=C1C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4461497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBOOCCOALVOHE-CWUAZLTLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBSYOUCAUKPLME-AFUKFTIKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CURJMMDVBCSAEU-AFUKFTIKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWSDFTMKQIMRKB-UHFFFAOYSA-N", "SMILES:Nc1ccc2oc(-c3ccc4nc(N)sc4c3)nc2c1"]}
{"name": "Protein E7", "xref": ["CHEMBL.TARGET:CHEMBL4802005"], "id": "UniProtKB:P06788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:333761"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGNCBAFOZBYKS-SHPBXJAASA-N", "SMILES:Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNJKZZZAABVQNH-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)Nc2cccc(-c3cccc4[nH]nc(N)c34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPFXZHLKQSXQP-FEDPBZRBSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)n2nc(N)c3c(-c4cccc(NC(=O)Nc5cccc(C(C)C)c5)c4)cccc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQNOFVRIRROBH-RVQPDCMISA-N", "SMILES:Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVOOJSUFYXKHW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPGDCGHAGCMHS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQBHARYDMXNIS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(NC(=O)NCCCC(=O)O)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSMZASATHHLTQT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(NC(=O)NCCCCCCCCCCC(=O)O)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEACXXGCIOPFY-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(C(=O)Nc2cc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBEQKLACMVOCMB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKUJIHEBPCFNC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(NC(=O)NC3CCCCC3)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEOGGMFKSALWTB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRQANTTYPCOFKV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCC(=O)O)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNLVGHIDUTJBV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCCCCCCCCC(=O)O)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPHTTXRYXNGOJL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGDKMODXYCNXLU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQXLHIGYQNRMJ-UHFFFAOYSA-N", "SMILES:Cc1nc(CN2CCCCC2c2ccccn2)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONLYWUKBGDAJC-FQEVSTJZSA-N", "SMILES:Cc1cccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSIJBVOXDOUPSR-FQEVSTJZSA-N", "SMILES:Cc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILADYLLUFJNZRV-FQEVSTJZSA-N", "SMILES:Cc1ccnc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRFKTBEMQHUCF-IBGZPJMESA-N", "SMILES:Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMAIZIZUSVPLPP-IBGZPJMESA-N", "SMILES:Cc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROEOAVPEGYPWNM-UHFFFAOYSA-N", "SMILES:Cc1nc(CN2CCC(C)C2c2ccccn2)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMAIZIZUSVPLPP-UHFFFAOYSA-N", "SMILES:Cc1nc(CN2CCCC2c2ccccn2)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCIJDSKNFLLCW-SFHVURJKSA-N", "SMILES:Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(F)c(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMSLWSGIBOXIG-FQEVSTJZSA-N", "SMILES:Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(C#N)c(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVPDOMSKVKPLE-FQEVSTJZSA-N", "SMILES:Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQKYAVBAHLVDB-NRFANRHFSA-N", "SMILES:Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCC(N(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQGNJZTDBMURV-FQEVSTJZSA-N", "SMILES:Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(NCCN2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL126568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQTIHJORCCUQBO-BJKOFHAPSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUVVOAPMLQTLBJ-NRFANRHFSA-N", "SMILES:COc1cc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFAKYBBHHPJJRZ-QOARVIGASA-N", "SMILES:C[C@@H]1CC([C@H](O)CC2CC(=O)N(CC(=O)NC3C4CC5(C)CC3CC(C)(C4)C5)C(=O)C2)C(=O)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJOHLOWXJFJMOG-DEFXNRNFSA-N", "SMILES:C[C@@H]1CC([C@H](O)CC2CC(=O)N(CC(=O)NC3C4CC5(C)CC(O)(C4)CC3(C)C5)C(=O)C2)C(=O)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQUSBUKOCIFQOH-INZNQZLDSA-N", "SMILES:CCC12CC3CC(C1)C(NC(=O)CN1C(=O)CC(C[C@@H](O)C4C[C@@H](C)C[C@H](C)C4=O)CC1=O)C(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUZMSYTAZGBHZ-HLIIQKOLSA-N", "SMILES:C[C@@H]1CC([C@H](O)CC2CC(=O)N(CC(=O)NC3C4CC5CC3CC(O)(C5)C4)C(=O)C2)C(=O)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STSMOQRTQRZRCZ-VZEYSKEKSA-N", "SMILES:C[C@@H]1CC([C@H](O)CC2CC(=O)N(CC(=O)N(C)C(C)(C)C)C(=O)C2)C(=O)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKQGFNIIHNGQM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC(=O)OCC)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBFWNHFKNTICR-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCCC3)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOZVZXMDSXPLF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCSCC3)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVIPSZZVQZKJM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCOCC3)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMUDGGYVAMKSPP-SFHVURJKSA-N", "SMILES:COc1cc(OC)c2c(N3CCOC[C@@H]3C)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMUDGGYVAMKSPP-GOSISDBHSA-N", "SMILES:COc1cc(OC)c2c(N3CCOC[C@H]3C)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLSTVJVMUNUOL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCN(C)CC3)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCUBSXWKGMDTPD-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCS(=O)(=O)CC3)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXDNUWPZRYWDQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCC(F)(F)CC3)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMVCTTJQXSYCOG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCCC3)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBYFKEODBCEWTD-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCCCC3)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQCRICWGWXEAJW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCSCC3)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUTZYYQOUZXBM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCOCC3)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEMBIZIHDNZDF-IBGZPJMESA-N", "SMILES:COc1cc(OC)c2c(N3CCOC[C@@H]3C)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEMBIZIHDNZDF-LJQANCHMSA-N", "SMILES:COc1cc(OC)c2c(N3CCOC[C@H]3C)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWWOSZINYIGVQO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCN(C)CC3)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTAKPMOUNDIJIA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCS(=O)(=O)CC3)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANGPOJOYIZQHD-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCC(F)(F)CC3)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDUGMKFUVMPWML-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCCC3)nc(-c3cc(C)c(OCCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXZFZJICJYUQHE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCCCC3)nc(-c3cc(C)c(OCCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZIJAZEDJZFEN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCSCC3)nc(-c3cc(C)c(OCCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLIYHQFFDHLWIX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCOCC3)nc(-c3cc(C)c(OCCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKGDENCCLQSETC-FQEVSTJZSA-N", "SMILES:COc1cc(OC)c2c(N3CCOC[C@@H]3C)nc(-c3cc(C)c(OCCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKGDENCCLQSETC-HXUWFJFHSA-N", "SMILES:COc1cc(OC)c2c(N3CCOC[C@H]3C)nc(-c3cc(C)c(OCCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUCJWZWDDQYER-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCN(C)CC3)nc(-c3cc(C)c(OCCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUAJZFECDBHMT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCS(=O)(=O)CC3)nc(-c3cc(C)c(OCCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSGDZRYWZUORFU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCC(F)(F)CC3)nc(-c3cc(C)c(OCCCCCC(=O)NO)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQBYHCMVFDVDD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1nc2c(Br)cc(Cl)cn2c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VALFUCYXNHCWLF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(CS(=O)(=O)c2cccnc2)nc2c(Br)cc(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZMYVXLOBDPGO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1nc2c(Sc3ccc(Cl)cc3)cc(Cl)cn2c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXNNWAYMTJJJIP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Br)cc(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFFVRWPHNFFIX-CYBMUJFWSA-N", "SMILES:Cc1ccc(C(C)C)c(OC[C@H]2CC=CC(=O)O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSOWCIMCDKXVRC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQPHTSNRBQUGSU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccccc2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOPDIPMSDWUML-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(C(=O)N3CCN4CCC3CC4)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLLENAJYHFPOT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXELJPRSFUWEMT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cccc(F)c2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMBNCUJHHOTAA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cccc(Br)c2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMDQJGKSDZHKY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cccc(I)c2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCNNFDOJIGHJCS-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2ccc(C(=O)N3CCN4CCC3CC4)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZLLLTUIOLORTQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccoc2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHGRWCLCPNWNFU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ccccc3c2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLZGDLJYDKZMO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cncc3ccccc23)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMSMIUDAACOIIW-UHFFFAOYSA-N", "SMILES:C[N+]12CCC(CC1)N(C(=O)c1ccc(-c3cccc(C(F)(F)F)c3)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLYQSOHXFLYMTM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZDALOQSQEBRB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cccc(O)c2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPOLGZOWNUHAQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQZGYOOSFWULK-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBIQMKYADPKELY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNBAEMFYSGMSN-STQMWFEESA-N", "SMILES:O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1C[C@@H]2C[C@H]1CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNBAEMFYSGMSN-CHWSQXEVSA-N", "SMILES:O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1C[C@H]2C[C@@H]1CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPAWZGXRVQMSKG-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTEVGGKOVLPIEL-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPBFWMHQUSPOD-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBIEPRODGMHQI-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYXGMUALYASCJJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMAVIMYWJRWAC-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSNVOWNCUESGN-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(O)CC3)cc2)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHNUQPPKLNYDNL-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGBWJJMHSWNRD-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNDWGLFHFHOWDB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccsc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYIWGFHVAAZGD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGZVEBLYZDEWLP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEFUPOHGTIRRNR-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITOLNUGQPOLDA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVJXKWZIXMKLI-UHFFFAOYSA-N", "SMILES:COC(=O)c1scc(C)c1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIAMGVHOFKODAA-UHFFFAOYSA-N", "SMILES:COC(=O)c1scc(C)c1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNXDRANXNQFLAB-UHFFFAOYSA-N", "SMILES:COC(=O)c1scc(C)c1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJDOOOSZJBAULE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWYGPJVSFJOFLU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOORFMZEFHVRCW-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INSBBZOXHUDXOP-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKPUWBRSECFONU-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGBVLUCCCDASRT-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGYGMPNRQZFIW-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOXHMOCMCJIDJP-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPWOAWXCTUHHRX-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGOGRUKQSGOTOH-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQYFSFTBNSCOL-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZCPRBXKOPJMP-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDDZRAYUWSVCX-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZNNKVLNOPJDRD-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJZLNXKODSVJJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAXGWTPYLSVERK-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDRBLSQJHLCPP-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CABIJFMAGGMDJK-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKIECSMXOFMCM-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(OCCN(C)C)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDHBTUFDSFLMOP-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCC(=O)NO)cc3o2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWQBEKOMUFXOX-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCC(=O)NO)cc3o2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEZWBVBCRCZTMY-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(Cc3c[nH]c4c(F)cccc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGHWZKIVCYYMV-UHFFFAOYSA-N", "SMILES:Fc1ccc2nc(Cc3c[nH]c4c(F)cccc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPCVQGRHZDUPX-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cc(F)ccc2[nH]1)c1c[nH]c2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKWAKNVZFMTNNG-UHFFFAOYSA-N", "SMILES:O=C(c1nc2ccc(F)cc2[nH]1)c1c[nH]c2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJWYDPKOVEMQM-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2c[nH]c3c(F)cccc23)nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNVOFGPHFNBMCG-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)c2c[nH]c3c(F)cccc23)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGPQNOFMAOCDB-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)c2c[nH]c3c(F)cccc23)nc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDIOPMDCLBMFS-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)c2c[nH]c3c(F)cccc23)nc2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFXDOTHFORYJTB-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)c2c[nH]c3ccccc23)nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKHIHJMEWHCQU-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)c2c[nH]c3c(F)cccc23)nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWDPKFZWIXEQI-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)c2nc3ccc(F)cc3n2C)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFOALZQYGRQVCV-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)c2cn(CCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVGQNQEVZROBS-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)c2cn(CCCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQJLDVNKIIBXFW-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)c2cn(CCCCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCXKEPWQDBIUCL-UHFFFAOYSA-N", "SMILES:CCCCn1cc(C(=O)c2nc3ccc(F)cc3n2C)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKAZYQBSGRSIV-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)c2cn(S(=O)(=O)CCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHZXMPMXZWPREZ-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)c2cn(S(=O)(=O)CCN3CCNCC3)c3c(F)cccc23)nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYBYONGWSXXSHF-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)Cc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRUBEOIIPXPOGH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)Cc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJHCJVQXCMYMNE-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSTYGANAJGUOEL-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Nc2ncnc3[nH]ccc23)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCAINJBWSRBACN-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Nc2ncnc3[nH]ccc23)cc1)Nc1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPCXJXLRKCOBQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Nc2ncnc3[nH]ccc23)cc1)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZDUQCWEGKHTPO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Nc2ncnc3[nH]ccc23)cc1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJGFCTVCJRNPO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Nc2ncnc3[nH]ccc23)cc1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJAFTUOESYNONZ-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAEPUWAXQFNNKS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]ccc34)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKLIOVPUBSURNX-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBTHIKCHCUXNGJ-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(Nc2ncnc3c2ccn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTYNPMYEUPAHRX-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(Nc2ncnc3sccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNRJEURENTAMX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4sccc34)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLJERJWNMDDNQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Cc2cccc(Nc3ncnc4[nH]ccc34)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJGPWGXFAYWUDO-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Cc1cccc(Nc2ncnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOFXEYQBLKNGRF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc3c(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)on5)cc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVBHPBGFGRENM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)nn5C)cc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLJWRIYYBSVIL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(Nc4ccc(CC(=O)Nc5ccc(C(C)C)cc5)cc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZJPWXRNRPHPNP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]c(-c5ccsc5)cc34)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POIRYJSGFIJBSD-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(Nc2ncnc3[nH]c(-c4ccsc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIOFVTFGLVTOFI-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2cc3c(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)on5)cc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYNPEWRXWQEJMQ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)nn5C)cc4)ncnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWUFZRPFZJRIY-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)on5)cc4)ncnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAVEUPBSGBCAL-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(Nc2ncnc3[nH]c(-c4ccc(S(C)(=O)=O)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZATSVLKXDTMV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]c(-c5ccc(S(C)(=O)=O)cc5)cc34)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALPHMPHFSEBGR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)on5)cc4)ncnc3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFUGHZCZRUXSDX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)nn5C)cc4)ncnc3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHILFGONHSMKB-LLVKDONJSA-N", "SMILES:CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBRGMZYLLPQNSO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMOVJILIPZWSQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYZUDAHLVBFJI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXLYMYRPYAWYSK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOMNVLIXFHAHF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(N(C)C)cc2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKWECZMRALHGW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(C(C)(C)C)cc2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCUQMSZESLMYJM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc3c(c2)OC(F)(F)O3)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGBSCEYRGGKKMU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(OC)c(OC)c2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUDHVIQDQRIHEW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(C(F)(F)F)cc2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYBYLAJANBTHAC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccccc2F)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJLJVVOBCOMEU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2cccc(OC)c2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJYDQRTTDXYBM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKQXVXSNVUAIDO-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=S)Nc1sc2c(c1C(=O)OCC)C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFPGWYEOQIDHA-UHFFFAOYSA-N", "SMILES:CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULWOOOACKNVEX-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNUGNSCTIYHTH-UHFFFAOYSA-N", "SMILES:CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMRLDAPYBAMTHT-UHFFFAOYSA-N", "SMILES:CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)Nc3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISQBWFAPCGWHMB-UHFFFAOYSA-N", "SMILES:CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)NCc3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YORRHQVVRUIWKP-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHRLCOJLBNAFG-UHFFFAOYSA-N", "SMILES:CC1COCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTQEBPQXRPBHS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCOC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQBJBDVNSVUPFX-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCKNZYSJCVUFI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUTFNZHPPVDHIE-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)Nc2sc3c(c2C(=O)OC(C)(C)C)C(C)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZQKZXGICDXWRL-UHFFFAOYSA-N", "SMILES:CC1CCCc2sc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)c(C(=O)OC(C)(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJXFNVETGGXPW-UHFFFAOYSA-N", "SMILES:CC1CCCc2sc(NC(=S)Nc3ccc(OC(C)(C)C)cc3)c(C(=O)OC(C)(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPOQIKLVNCGSO-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)Nc2sc3c(c2C(=O)OC(C)(C)C)C(C)CCC3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPCKEJPJUUXLFD-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CCOC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUWAVVPEDEKEZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2c1CCOC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGOLDXTSDTDQO-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)Nc2sc3c(c2C(=O)OC(C)(C)C)CCOC3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZZQHLXFBHGAI-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=S)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZZQHLXFBHGAI-CYBMUJFWSA-N", "SMILES:C[C@@H](NC(=S)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDUMQWZEOMXSO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2nn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKGRZOMUWRNVEY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc2c1C(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCMDCDJLTSDNJF-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(Cc2c[nH]c3ccccc23)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZLXANOQRQGTN-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2c[nH]c3ccccc23)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCVZGCAUBUBST-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2c[nH]c3cccnc23)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZALQBBRCFCSFU-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cn1nc(-c2c[nH]c3ccccc23)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATUHHYYEQZBMCD-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1c[nH]c3ccccc13)nn2CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSEVQLOUSAIAHA-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1c[nH]c3ccccc13)nn2CC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNRBKQXNAXNTQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(Cn2nc(-c3c[nH]c4ccccc34)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTWNYADDKACXSW-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1c[nH]c3ccccc13)nn2CC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHROQBPMBHWWTB-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cccc3ccccc13)nn2CC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEWOYNHYISZPFC-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Cn1nc(-c2c[nH]c3ccccc23)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIFUMVOBHTFKS-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Cn1nc(-c2cccc3ccccc23)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAYMPNXQYYDVBB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nn(C(C)(C)C)c3ncnc(N)c23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJXQZZYGYLKJG-CQSZACIVSA-N", "SMILES:CC[C@@H](N)CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWJAAKKEYXUCFY-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3nn(CC4CCN(C)CC4)c4ncnc(N)c34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201346", "category": ["biolink:ChemicalEntity"], "name": "BALSALAZIDE", "xref": ["InChIKey:IPOKCKJONYRRHP-FMQUCBEESA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1"], "synonym": ["Balsalazide", "Balsalazide", "Balsalazide", "Balsalazida"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4783320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHKACKHIRXBDK-VHEBQXMUSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNMWESSCLMSWSK-FMQUCBEESA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(/N=N/c2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWGVKFIPWFXQB-VHEBQXMUSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(/N=N/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUXDDTMJBCKKCX-FMQUCBEESA-N", "SMILES:O=C(O)CCCC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQIUKKVOEOPUDV-UHFFFAOYSA-N", "SMILES:CC1=C2C(=COC(C)C2C)C(O)=C(C(=O)O)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL12131", "category": ["biolink:ChemicalEntity"], "name": "CLOSANTEL", "xref": ["InChIKey:JMPFSEBWVLAJKM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O"], "synonym": ["Closantel", "Closantel", "NSC-335306", "R 31,520", "R-31520", "Closantel"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUGLISWKJCYIT-AWEZNQCLSA-N", "SMILES:N[C@@H](Cc1cc(I)c(Cc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249837", "category": ["biolink:ChemicalEntity"], "name": "METHACYCLINE", "xref": ["InChIKey:MHIGBKBJSQVXNH-IWVLMIASSA-N", "SMILES:C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12"], "synonym": ["Metacycline", "Methacycline", "Metacycline", "Metaciclina", "Methacycline", "Metacycline", "Methacycline", "Motc", "GS-2876", "Methacycline"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL3085398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCNCQAWYRGWMFH-QFIPXVFZSA-N", "SMILES:C=CC(C)(C)c1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL253998", "category": ["biolink:ChemicalEntity"], "name": "GLABRANIN", "xref": ["InChIKey:DAWSYIQAGQMLFS-SFHVURJKSA-N", "SMILES:CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O"], "chembl_natural_product": true}
{"name": "Carbamate kinase", "xref": ["CHEMBL.TARGET:CHEMBL4802003"], "id": "UniProtKB:O97438", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5741"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOEMYGXYNBNGJA-UHFFFAOYSA-N", "SMILES:COCCOc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOMGQLZYIUPQLG-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WABZCKCXZGRTFB-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRPVSLYDNAEONA-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQADFBBNGXWBN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKAXYGBPEAZTJV-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OCC(C)(C)O.Cc1ccc(S(=O)(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYXRTOKEPPZITH-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OCCCO.Cc1ccc(S(=O)(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXYWHNWXBAVGU-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OCCO.Cc1ccc(S(=O)(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQGYDQKXPSINNO-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKSOMBYZCPNMD-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(F)cc2)c[nH]c2ccnc(Nc3ccc(Oc4ncnc5cc6c(cc45)OCCOCCOCCO6)c(F)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNAOKRMVGJXRHU-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEDLHADEYEZAN-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKSLCUQDDPKQN-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBZNXQQIWKPEG-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OCCO.Cc1ccc(S(=O)(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWDRXTGAHCQDDT-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OCC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGHUAAKQKSPCM-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCOc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHGNGABRSFZEF-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEHWZYPLPHDXQC-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZSOTYFDFVIEGI-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMWKIPRPJDXFD-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]c(C)c(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEKFCXWXWVZCL-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5c4c(=O)c(-c4ccc(F)cc4)cn5C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCBGQMMZQVXOI-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMKFOPVRMXIEPO-UHFFFAOYSA-N", "SMILES:COCCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNPJACPMWNJDM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5c4c(=O)c(-c4ccc(F)cc4)cn5CC(=O)c4ccccc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWTRQPMYWUMSLT-HHBAWIGLSA-H", "SMILES:CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@@H](O)CO)[C@H](O)C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1OC(C(=O)[O-])=C[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXWVQMDZMVIHLG-QXKXHTKISA-A", "SMILES:CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@@H](O)CO)[C@H](O)C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O[C@@H]6O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]7O[C@H](C(=O)[O-])[C@@H](O[C@@H]8O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]9OC(C(=O)[O-])=C[C@H](O[C@@H]%10O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%10O)[C@H]9O)[C@H]8NC(C)=O)[C@H](O[C@@H]8O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]8O)[C@H]7O)[C@H]6NC(C)=O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]6O)[C@H]5O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]4O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBIKJNYIGIEJJ-MHMMQERKSA-A", "SMILES:CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]3OS(=O)(=O)O)[C@@H](O)[C@H](O[C@H]3[C@@H](NC(C)=O)[C@H](O[C@H]4[C@H](O[C@@H]5O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]5OS(=O)(=O)O)[C@@H](O)[C@H](O[C@H]5[C@@H](NC(C)=O)[C@H](O[C@H]6[C@H](O[C@@H]7O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]7OS(=O)(=O)O)[C@@H](O)[C@H](O[C@H]7[C@@H](NC(C)=O)[C@H](O[C@H]8[C@H](O[C@@H]9O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]9OS(=O)(=O)O)[C@@H](O)[C@H](O[C@H]9[C@@H](NC(C)=O)[C@H](O[C@@H]([C@H](O[C@@H]%10O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]%10OS(=O)(=O)O)[C@@H](O)CO)[C@H](O)C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H]9OS(=O)(=O)[O-])O[C@@H]8C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H]7OS(=O)(=O)[O-])O[C@@H]6C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H]5OS(=O)(=O)[O-])O[C@@H]4C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H]3OS(=O)(=O)[O-])O[C@@H]2C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1OC(C(=O)[O-])=C[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]2OS(=O)(=O)O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFKXKLTVPYIIJ-XNHXHXJRSA-D", "SMILES:CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@@H](O)CO)[C@H](O)C(=O)[O-])O[C@@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]3OC(C(=O)[O-])=C[C@H](O[C@@H]4O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](S(=O)(=O)O)[C@@H]4O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBLBZZCWXHDFB-NQYQXAKGSA-A", "SMILES:CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]2OS(=O)(=O)O)[C@@H](O)CO)[C@H](O)C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]5OC(C(=O)[O-])=C[C@H](O[C@@H]6O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]6O)[C@H]5O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]4OS(=O)(=O)O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]2OS(=O)(=O)O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMQLMAJHVACUNO-OWBFKOAMSA-A", "SMILES:CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@@H](O)CO)[C@H](O)C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O[C@@H]6O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]7OC(C(=O)[O-])=C[C@H](O[C@@H]8O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]8O)[C@H]7O)[C@H]6NC(C)=O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]6O)[C@H]5O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]4O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVVQGOYAZZIBF-IZFXFIIESA-A", "SMILES:CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@@H](O)CO)[C@H](O)C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O[C@@H]6O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]7O[C@H](C(=O)[O-])[C@@H](O[C@@H]8O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]9O[C@H](C(=O)[O-])[C@@H](O[C@@H]%10O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]%11OC(C(=O)[O-])=C[C@H](O[C@@H]%12O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%12O)[C@H]%11O)[C@H]%10NC(C)=O)[C@H](O[C@@H]%10O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%10O)[C@H]9O)[C@H]8NC(C)=O)[C@H](O[C@@H]8O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]8O)[C@H]7O)[C@H]6NC(C)=O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]6O)[C@H]5O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]4O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATDPKXXSJLAHJ-YPEAGMRFSA-A", "SMILES:CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@@H](O)CO)[C@H](O)C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O[C@@H]6O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]7O[C@H](C(=O)[O-])[C@@H](O[C@@H]8O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]9O[C@H](C(=O)[O-])[C@@H](O[C@@H]%10O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]%11O[C@H](C(=O)[O-])[C@@H](O[C@@H]%12O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]%13OC(C(=O)O)=C[C@H](O[C@@H]%14O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%14O)[C@H]%13O)[C@H]%12NC(C)=O)[C@H](O[C@@H]%12O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%12O)[C@H]%11O)[C@H]%10NC(C)=O)[C@H](O[C@@H]%10O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%10O)[C@H]9O)[C@H]8NC(C)=O)[C@H](O[C@@H]8O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]8O)[C@H]7O)[C@H]6NC(C)=O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]6O)[C@H]5O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]4O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUSUYLIAIPJPLZ-LNFAGHPLSA-A", "SMILES:CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]3O)[C@@H](O)[C@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](O[C@H]4[C@H](O[C@@H]5O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]5O)[C@@H](O)[C@H](O[C@@H]5[C@@H](NC(C)=O)[C@H](O[C@H]6[C@H](O[C@@H]7O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]7O)[C@@H](O)[C@H](O[C@@H]7[C@@H](NC(C)=O)[C@H](O[C@H]8[C@H](O[C@@H]9O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]9O)[C@@H](O)[C@H](O[C@@H]9[C@@H](NC(C)=O)[C@H](O[C@@H]([C@H](O[C@@H]%10O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%10O)[C@@H](O)CO)[C@H](O)C(=O)O)O[C@H](COS(=O)(=O)[O-])[C@@H]9OS(=O)(=O)[O-])O[C@@H]8C(=O)O)O[C@H](COS(=O)(=O)[O-])[C@@H]7OS(=O)(=O)[O-])O[C@@H]6C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H]5OS(=O)(=O)[O-])O[C@@H]4C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H]3OS(=O)(=O)[O-])O[C@@H]2C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@@H]6O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]7OC(C(=O)O)=C[C@H](O[C@@H]8O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]8O)[C@H]7O)[C@H]6NC(C)=O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]6O)[C@H]5O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]4O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOOYVVYEJQFZSU-CALDQEJYSA-A", "SMILES:CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@@H](O)CO)[C@H](O)C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O[C@@H]6O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]7O[C@H](C(=O)[O-])[C@@H](O[C@@H]8O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]9O[C@H](C(=O)[O-])[C@@H](O[C@@H]%10O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]%11O[C@H](C(=O)[O-])[C@@H](O[C@@H]%12O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]%13O[C@H](C(=O)[O-])[C@@H](O[C@@H]%14O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]%15O[C@H](C(=O)[O-])[C@@H](O[C@@H]%16O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]%17OC(C(=O)O)=C[C@H](O[C@@H]%18O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%18O)[C@H]%17O)[C@H]%16NC(C)=O)[C@H](O[C@@H]%16O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%16O)[C@H]%15O)[C@H]%14NC(C)=O)[C@H](O[C@@H]%14O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%14O)[C@H]%13O)[C@H]%12NC(C)=O)[C@H](O[C@@H]%12O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%12O)[C@H]%11O)[C@H]%10NC(C)=O)[C@H](O[C@@H]%10O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]%10O)[C@H]9O)[C@H]8NC(C)=O)[C@H](O[C@@H]8O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]8O)[C@H]7O)[C@H]6NC(C)=O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]6O)[C@H]5O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]4O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)O)[C@@H]2O)[C@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL836", "category": ["biolink:ChemicalEntity"], "name": "TAMSULOSIN", "xref": ["InChIKey:DRHKJLXJIQTDTD-OAHLLOKOSA-N", "SMILES:CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1"], "synonym": ["Tamsulosin", "Tamsulosin", "Tamsulosin", "Tamsulosine", "Tamsulosina", "Tamsulosin", "Tamsulon", "Tamsulosin", "HGP-0412", "HIP-1402", "HIP1402"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4788144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SADGWXRWSBZIIA-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1cn(CCCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZCQTZCKJQJPLF-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCn2cc(CCCC(=O)O)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCNNTPCKDDPMD-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCn2cc(CCCC(=O)O)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCZZODFVQRRXCY-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1cn(CCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYKAGKFOYGISHK-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCn2cc(CCCC(=O)O)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDEAKWSKOGAXIJ-JXMROGBWSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRUXRIZELCVDHX-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(SCCC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJOGWYVFZVDAK-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(-c5cccnc5)n[nH]c4c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKMNWYYOFLVFF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2n[nH]c3cc(SCCC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHRARXNZGWJVLI-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(-c5ccncc5)n[nH]c4c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRTRMTJFIHGQND-FARCUNLSSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(/C=C/c5ccncc5)n[nH]c4c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFIKTGGVWBTCR-QPJJXVBHSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(/C=C/c5cnccn5)n[nH]c4c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXOZLJIGJTPHD-JXMROGBWSA-N", "SMILES:CN1CCN(Cc2ccc(C(=O)NCCSc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMBALVAOZOBTKP-JXMROGBWSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)NCCSc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEQOSWDUWGQHY-DHZHZOJOSA-N", "SMILES:CN1CCN(Cc2ccc(C(=O)NCCCSc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYFPHPNAVYSFK-CSKARUKUSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)CC(=O)Nc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTFLVRYZUXPSI-JLHYYAGUSA-N", "SMILES:CN1CCN(Cc2ccc(C(=O)Nc3cccc(Sc4ccc5c(/C=C/c6ccccn6)n[nH]c5c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKUJPPXOXKLOX-JLHYYAGUSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)Nc3cccc(Sc4ccc5c(/C=C/c6ccccn6)n[nH]c5c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTKXUCWCZAQITO-DHZHZOJOSA-N", "SMILES:Cc1nc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)sc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHAMIDLDHJNCN-VQHVLOKHSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZZZPQHADGNIBL-CSKARUKUSA-N", "SMILES:Cc1nc(NC(=O)C(C)C)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFGIYQAPYGIKD-VQHVLOKHSA-N", "SMILES:CSCCC(N)C(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAGOETVYESXLFK-SOFGYWHQSA-N", "SMILES:Cc1nc(NC(=O)C2CCNCC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAKVOBINHZPFJG-VQHVLOKHSA-N", "SMILES:Cc1nc(NC(=O)C2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKTZVYRLGRHDX-ACCUITESSA-N", "SMILES:Cc1nc(NC(=O)C(N)Cc2ccccc2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRYREJABGBRRKZ-ACCUITESSA-N", "SMILES:Cc1nc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDDPVEVXTJKGHJ-PKNBQFBNSA-N", "SMILES:Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILHNYCCOVXMNU-PKNBQFBNSA-N", "SMILES:Cc1nc(NC(=O)Nc2cccc(C(F)(F)F)c2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INFCVFRYKQPUDG-PKNBQFBNSA-N", "SMILES:Cc1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQNFEWHLHKCRJ-PKNBQFBNSA-N", "SMILES:Cc1nc(NC(=O)Cc2cccc(Cl)c2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMYEDRCYQRVNR-PKNBQFBNSA-N", "SMILES:COc1ccc(CC(=O)Nc2nc(C)c(-c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNBVGMGRNUIAEN-FYWRMAATSA-N", "SMILES:Cc1nc(NC(=O)Cc2cccc3ccccc23)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROWNHEWYCODUJP-VQHVLOKHSA-N", "SMILES:Cc1nc(NC(=O)CC2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLFFSKXUJQLQO-VQHVLOKHSA-N", "SMILES:Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSRROOJMZDFQA-SOFGYWHQSA-N", "SMILES:Cc1nc(NC(=O)CC2CCNCC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIGBNXDFPWNTCP-CSKARUKUSA-N", "SMILES:Cc1nc(NC(=O)CC2CCCNC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRIFGXQGZIBPO-SOFGYWHQSA-N", "SMILES:Cc1nc(NC(=O)CN2CCN(CCO)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METYTGANEGYSPB-VQHVLOKHSA-N", "SMILES:COCCOCC(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGJDOUFIABRAQ-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cccnc3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPSMCPKVGOVPEN-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cncc(F)c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWRJBSSPBPQFP-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cccc(F)c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSPRYVVVCMTVPC-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cnc(N)nc3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBFOCRNQBFYZQD-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3ccn(C)n3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMVJRTDVKFVROZ-OLZOCXBDSA-N", "SMILES:C[C@@H]1CCc2ncc(F)cc2[C@H]2CCN(C2)c2ccn3ncc(c3n2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKZZCHSVFXZBAI-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cccc(C#Cc3cccc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDZWHJYZJWLTAG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(CN(Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWVQGRNZPMCKOJ-ZQAZVOLISA-N", "SMILES:CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(CO)c(S(C)(=O)=O)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRGDJGNDOAXBL-VBTAUBHQSA-N", "SMILES:CC(C)[C@@H]1N(C(=O)CC(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(CO)c(S(C)(=O)=O)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFNSEUOEUALZPD-ZQAZVOLISA-N", "SMILES:CC(C)[C@@H]1N(C(=O)C(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(CO)c(S(C)(=O)=O)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZRWUTGASMVWBJ-WNJJXGMVSA-N", "SMILES:CC(C)[C@@H]1N(C(=O)C(F)(F)F)CC[C@@]12C(=O)N(c1cccc(-c3ccc(CO)c(S(C)(=O)=O)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQPVSZHQXIYMRT-DODOAAEWSA-N", "SMILES:CC(C)[C@@H]1N(C(=S)NC(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(C(=O)N(C)C)c(Cl)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSOVILRYKGQEGO-NYDCQLBNSA-N", "SMILES:CC(C)[C@@H]1N(S(=O)(=O)C(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(C(=O)N(C)C)c(Cl)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWVQGRNZPMCKOJ-CYTLCNBWSA-N", "SMILES:CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]12C(=O)N(c1cccc(-c3ccc(CO)c(S(C)(=O)=O)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMANSVHLXPEHIF-UVMMSNCQSA-N", "SMILES:CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(C(=O)O)c(S(C)(=O)=O)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSOORUBJUWRBN-IUDBTDONSA-N", "SMILES:CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(CO)c(Cl)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAIOOQXQYNCRKH-IUDBTDONSA-N", "SMILES:CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(CO)cc3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANNOADHYLZMPU-NHZFLZHXSA-N", "SMILES:CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc4ccn(C)c4c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVDNWDVCLUALT-FIPFOOKPSA-N", "SMILES:COC(=O)c1ccc(N2C(=O)[C@@]3(CCN(C(=O)OC(C)(C)C)[C@H]3C(C)C)c3ccccc32)cc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCFFLIPNRBBEPI-HOFKKMOUSA-N", "SMILES:CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12C(=O)N(c1ccc(CO)c(S(C)(=O)=O)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMNDQUYNVCVZKQ-DODOAAEWSA-N", "SMILES:CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(C(=O)N(C)C)c(Cl)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCXJRUQXRBLME-ZJJOJAIXSA-N", "SMILES:CC(C)[C@@H]1N(C(=O)CC(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(C(=O)N(C)C)c(Cl)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGQLLPAOFFRDI-DODOAAEWSA-N", "SMILES:CC(C)[C@@H]1N(C(=O)C(C)(C)C)CC[C@@]12C(=O)N(c1cccc(-c3ccc(C(=O)N(C)C)c(Cl)c3)c1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXDVNVKPBEVNG-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1Cc1ccc(-c2ccccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTDQSWMADZUYTL-BMRADRMJSA-N", "SMILES:N#C/N=C1/SCCN1Cc1ccc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRNRLXVQJHBCGL-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1Cc1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHUFWMZVSAXKY-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1Cc1ccc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVIRRGFJCLIGRF-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1Cc1ccc(-c2ccccc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPRYTDAPKPDRJM-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1Cc1ccc(-c2cccc(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAFUQTIVXBBBPP-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1Cc1ccc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTILUEUPRTUKDD-FBMGVBCBSA-N", "SMILES:Cc1ccc(-c2ccc(CN3CCS/C3=N/C#N)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFDSWNEOHCEIR-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1Cc1ccc(-c2ccc(Br)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQAYEKDNULYKK-FBMGVBCBSA-N", "SMILES:COc1ccc(-c2ccc(CN3CCS/C3=N/C#N)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMCTCWRRXAJSI-XDJHFCHBSA-N", "SMILES:N#C/N=C1/SCCN1Cc1ccc(-c2c(F)cccc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKDZYCLCSLUKI-BMRADRMJSA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1ccc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICGSTRMHFHTQA-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1ccc(-c2ccccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWUVSVAZGHJEY-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDHGCOGSOREMSK-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNEFRGBIZAXLOK-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1ccc(-c2ccccc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPZRKMFOWVVNBS-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1ccc(-c2cccc(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNSTUAFBVNZDFT-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCMBLQAVPZEHR-FBMGVBCBSA-N", "SMILES:Cc1ccc(-c2ccc(C(=O)N3CCS/C3=N/C#N)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEIDMWOQOYLOM-OBGWFSINSA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1ccc(-c2ccc(Br)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYSXVHYENHSJJ-FBMGVBCBSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)N3CCS/C3=N/C#N)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWZNMSEFZQWOY-XDJHFCHBSA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1ccc(-c2c(F)cccc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAIKWDOUXKFLQP-JQIJEIRASA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1coc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGYRFCARSCWKD-SAPNQHFASA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1coc(-c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWBCPZAWSHVQY-SAPNQHFASA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1coc(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWOBBQGPLPNCO-SAPNQHFASA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1coc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQRBWOYXLQYFLS-SAPNQHFASA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1coc(-c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSSHMVOWCRUZLX-SAPNQHFASA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1coc(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZZHNSRJUWAOOK-SAPNQHFASA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1coc(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXCDCSLCBYNRS-BMRADRMJSA-N", "SMILES:Cc1ccc(-c2nc(C(=O)N3CCS/C3=N/C#N)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHELAMYCBZLNHU-SAPNQHFASA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1coc(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNSGBZBUZFHIRM-BMRADRMJSA-N", "SMILES:COc1ccc(-c2nc(C(=O)N3CCS/C3=N/C#N)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMRGCJULFSHJHN-NBVRZTHBSA-N", "SMILES:N#C/N=C1/SCCN1C(=O)c1coc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDXCWJRAKQMMT-UHFFFAOYSA-N", "SMILES:COc1cc2ccnc(Cc3cccc4ccccc34)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTWCDURTLMJVNW-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594429", "category": ["biolink:ChemicalEntity"], "name": "AZD-1390", "xref": ["InChIKey:VQSZIPCGAGVRRP-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3cc(F)c(-c4ccc(OCCCN5CCCCC5)nc4)cc3c21"], "synonym": ["Azd 1390", "Azd-1390", "Azd1390", "AZD-1390", "AZD1390"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439259", "category": ["biolink:ChemicalEntity"], "name": "AZD-7648", "xref": ["InChIKey:XISVSTPEXYIKJL-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"], "synonym": ["Azd-7648", "Azd7648", "AZD-7648", "AZD7648"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49120", "category": ["biolink:ChemicalEntity"], "name": "PD-0166285", "xref": ["InChIKey:IFPPYSWJNWHOLQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1"], "synonym": ["PD-166285", "PD166285", "TCMDC-140940"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLYGPVPCZNFFL-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)OC)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZPZMDRQJKKBQQ-HNQUOIGGSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=C/C=C/c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCNRMRKBMPBEBG-UHFFFAOYSA-N", "SMILES:Cn1cccc1C=CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCLSEAUKSTXPP-UHFFFAOYSA-N", "SMILES:Cn1cccc1C=C1C(=O)NC(=S)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JENVFOBKOJFAHD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1c(-c2ccco2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJGLCKXKWGMBDE-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=NOS(=O)(=O)c2cc(Cl)ccc2Cl)C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHLCDYCNPSEQHG-UHFFFAOYSA-N", "SMILES:Oc1ccc(N=Cc2ccc[nH]2)cc1N=Cc1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGRKYOXBJIQTM-VZUCSPMQSA-N", "SMILES:O=C(O)c1ccc(/C=N/c2nc[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKRUSPZOTYMAT-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(O)c(O)cc1O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1718911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDGHRWOHOPKIL-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN=C(S)Nc1ccc2nc(N3CCN(CC)CC3)cc(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504212", "category": ["biolink:ChemicalEntity"], "name": "STRICTININ", "xref": ["InChIKey:FYIJLTSMNXUNLT-CXQFPWCTSA-N", "SMILES:O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4792986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNEKRCCXHUFBPL-GLEMDPEOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYKJLAPTINKFZ-ZYVZXDBOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBSWHPBPMPVCZ-NQUATQFZSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXSKMOZDYUBHU-JLQGYNGPSA-N", "SMILES:CC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKGFKAITEKCBRV-JLQGYNGPSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGWGDBRJYKVGI-PTFQGONHSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVUKTHOPXMSDE-GLEMDPEOSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVUKTHOPXMSDE-YAGLTGEFSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFLVESIDOAAJH-MREPYCEBSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVHWYCKBKQBQLH-PTUWZUOOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVHWYCKBKQBQLH-PWDPXLITSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](c3ccccc3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJUGSZWVYVMRBR-WSUOKSENSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVOJCCPELUKPBN-CIVCGVONSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLGSWMYZPWZTD-XOJVSUSESA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccc(Cl)cc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBOGVWLKUREGLH-LHTYZOCXSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3cc(Cl)ccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOANIAEMBZDQE-GLEMDPEOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3c(Cl)cccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXXMJHUJXUWXNR-XOJVSUSESA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHYEKNKKQDKLB-LHTYZOCXSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXVSCQTWQLUSR-GLEMDPEOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3c(F)cccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRPZKYWKBUEOV-MREPYCEBSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYWLZFXFKFWKL-XOJVSUSESA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYFGSBFHVAQLI-MREPYCEBSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLPDXDVCXNVEEV-YJLRWSCOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETQUGIIFBPWMW-YJLRWSCOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDFLEMNTOCMSC-MREPYCEBSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUTMNYLYUILQAZ-YJLRWSCOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPORMYBONMHESW-YJLRWSCOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJNUZTYJYYUXSD-SMNGPBTOSA-N", "SMILES:CC[C@@H]1C[C@H](C)CC/C=C\\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)[C@@H]2C[C@@H](Oc3nccc4cc(OC)c(F)cc34)CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJNUZTYJYYUXSD-YTEVSDLFSA-N", "SMILES:[2H]C([2H])([2H])Oc1cc2ccnc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\\CC[C@@H](C)C[C@@H](CC)[C@H](NC(=O)OC(C)(C)C(F)(F)F)C(=O)N4C3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMAXTKDAFWORKJ-QNSBEUCASA-N", "SMILES:CC[C@@H]1C[C@H](C)CC/C=C\\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)[C@@H]2C[C@@H](Oc3nccc4cc(O)c(F)cc34)CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDGSTJJLFBODS-UHFFFAOYSA-N", "SMILES:Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CNC(C)(C)C(=O)O)cc2Cl)cccc1-c1ccc2ocnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGBSKXWCFJEDI-UUWRZZSWSA-N", "SMILES:Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CN[C@](C)(CO)C(=O)O)cc2Cl)cccc1-c1cnc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMGVZKHMBHCRJQ-DODZYUBVSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWNUSGNZBAISFM-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFXWLDSOWBCFKL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccc(C(F)(F)F)cc3)S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCAHLYVQKAIEGC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFLZBZTFSRPPY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3[N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFEVMHYDPVBRGT-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(S(=O)(=O)N(c2ccc3c(c2)N(S(C)(=O)=O)CCC3)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQCYWXHEQLZIS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3cccc4ccccc34)S(=O)(=O)c3cccc4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDLMNQIZDHKHS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccc4ccccc4c3)S(=O)(=O)c3ccc4ccccc4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKXKKZFRXDMWLF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMMGEZXYPRCOKK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)N(c2ccc3c(c2)N(S(C)(=O)=O)CCC3)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESVYJAQNNXYMB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3cccnc3)S(=O)(=O)c3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQKCWGNWKBHQPS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N(c1ccc2c(c1)N(S(C)(=O)=O)CCC2)S(=O)(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNPDANNXCXTCA-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N(c1ccc2c(c1)N(S(C)(=O)=O)CCC2)S(=O)(=O)CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHXDQSEXMNOLS-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)N(c1ccc2c(c1)N(S(C)(=O)=O)CCC2)S(=O)(=O)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OORGSBBZYWOCOF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGZTZZVAYUGFT-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGIFZUFTHSESP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMVUDYVSJBHRFC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C)c(C)cc3C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPGCHQKBHCJML-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMOMLIRYHGJVGL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccc(C#N)cc3)S(=O)(=O)c3ccc(C#N)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPHGDINIXEIPD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJFIIHXLOJIDGJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGMAVYXIPJHTA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZHWRTWYQYQCZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3cccc(F)c3)S(=O)(=O)c3cccc(F)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKLOAVGVKPHDE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccccc3F)S(=O)(=O)c3ccccc3F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZMHHXCHKWRLB-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(c2ccc3c(c2)N(S(C)(=O)=O)CCC3)S(=O)(=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGOGUVERXASKA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)N(S(C)(=O)=O)CCC3)S(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTRBOCNPBRSULU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N(c2ccc3c(c2)N(S(C)(=O)=O)CCC3)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITQVAXQAHQRXFG-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(S(=O)(=O)N(c2ccc3c(c2)N(S(C)(=O)=O)CCC3)S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZYTWBTHIRPIP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBXXJFMVBGEOIN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYHHAFDPMIQCJZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(N(S(=O)(=O)Cc3ccccc3)S(=O)(=O)Cc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPRRRPISZZAPRW-HZBPPLAJSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCSC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKYSPGTYQNANFL-GYVBEWGNSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGJSPLAKBPBAK-BLDAPKAQSA-N", "SMILES:CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMGJOORDFVQKJF-LCQMPJFHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVWSVURRUSBJJ-HQFMLFMQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYNJFRUHYTZOA-BQBSFLCNSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQXQRKIYSOJAC-XBLIBANTSA-N", "SMILES:CCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDNIHFDUKUIIF-JBRKIFEHSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBUTXDXKCCRDLP-UILVTTEASA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENHSEMWUAVJPD-CSYZDTNESA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSPIBYIUNQMKF-NVAZTIMOSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQCRVFKSXXCDLA-CZCRWAQJSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)O)c1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUYMZGDZEIVCMZ-ZKMKTHNESA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)O)Cc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXGTJYADJIXRL-GHWSHJPCSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC(=O)O)Cc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYJXTFIHGPNVHZ-UTALAWHWSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKJNTHYUZPHISE-LCQMPJFHSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPLPDZEHADDNQ-KXPJEIABSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYNJFRUHYTZOA-QMMMCFROSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGBLOHAPMBCAMC-SDSZKIDWSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOIHTWCIBQKYLT-VYJQACJWSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQUSYZQJGZHHDN-HOMUPEAESA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKAQFFGYOHVEV-GXTUYBNASA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSWQXHGSLGPKO-CUZNLEPHSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCHUAFXYQBZAID-SARDKLJWSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFURAPCVZMOPKL-XBJFMILWSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOKXPDPRVUBWSO-XBJFMILWSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGDNNDSXPRCDOY-AGVBWZICSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBQJKWKYADUIFB-MXEBGMNDSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C2CCCCC2C[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPWMZAKJYXXEG-BQBSFLCNSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXARWOCMOVEEV-CUZNLEPHSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFEYETIRUSBSRO-CUZNLEPHSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJBRPPVGFMCBK-AGVBWZICSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJAATAHHWLYECZ-KXPJEIABSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYNJFRUHYTZOA-WOGFRFDGSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJGVIBGMVBHDRV-BQBSFLCNSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWRICWJRUUAOI-AGVBWZICSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQESHDDABZENFS-WOGFRFDGSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPKAGBRNXNPSE-CUZNLEPHSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSUKRXZZCDPRGZ-CUZNLEPHSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYWOLIZHUMJFJA-KTSYBKKMSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBZMQMRSUPDJDC-BQBSFLCNSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncs1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWAUGTUMQWXTAF-AGVBWZICSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZVDCZMSHPOWQB-BHEJXMHWSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLFJPZONMYYJKY-PFKWGYSNSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORUHWUYSRMXNSJ-AGVBWZICSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMKGULQUXOQQZ-JSHGDEIRSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUEIRTRBOKGPTP-BLDAPKAQSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHRHYNROJEZIH-CLSZPEQESA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFUSBRWOPZDLSP-DXNXPDASSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGYQAVWVLRIBO-BHEJXMHWSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNNRNZBHGCCQD-BHEJXMHWSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMSRRVOJFSAXHJ-YRUIFXMOSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSFCQWDHFPKIBW-FSLKYBNLSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O)C(C)C)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULCHANGKNVUMIE-UTALAWHWSA-N", "SMILES:CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O)C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWHCWMITPAFCOH-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1cc(F)ccc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHOBOZMXUFNLGR-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1cc2cc(C#N)ccc2nc1N)c1cc(F)c(F)cc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUICJZHIQAKXGL-NSHDSACASA-N", "SMILES:C[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1cc(F)c(F)cc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUNRZVVFSUWLOI-NSHDSACASA-N", "SMILES:C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc(F)c(F)cc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNLQGLNMCZATE-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1cc2[nH]ncc2cc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDXVGKXTLKUNF-NSHDSACASA-N", "SMILES:C[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1ncc(F)cc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOSHSVTNRQZDY-AWEZNQCLSA-N", "SMILES:C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2c(cnn2CCO)cc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIRFNJLFYJBESX-NSHDSACASA-N", "SMILES:C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(C(=O)O)ccc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIXSZULRJYSDAC-JTQLQIEISA-N", "SMILES:C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1[nH]c(=O)ccc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLKNKFKEIUZQIO-ZDUSSCGKSA-N", "SMILES:Cc1n[nH]cc1-c1cnc(N)c(O[C@@H](C)c2cc(F)ccc2-n2cccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650304", "category": ["biolink:ChemicalEntity"], "name": "PF-07059013", "xref": ["InChIKey:CLEFVPILGAPOTG-NSHDSACASA-N", "SMILES:C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1"], "synonym": ["Pf-07059013", "PF-07059013"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKCNXNPZSKIRIX-UHFFFAOYSA-N", "SMILES:CCOCCOc1cc2c(cc1-n1c(C(F)(F)F)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEJWIEPCSOSHIJ-CUYCEIPOSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](CC(C)(C)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSLQJGSRWZJTA-RMXYKXGFSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](C(C)(C)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEJWIEPCSOSHIJ-WDGWKBJASA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC(C)(C)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277522", "category": ["biolink:ChemicalEntity"], "name": "FENBUFEN", "xref": ["InChIKey:ZPAKPRAICRBAOD-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1"], "synonym": ["Fenbufen", "Fenbufen", "Fenbufen", "Fenbufen", "Fenbufene", "Fenbufen", "CL 82,204", "CL-82204", "NSC-757812", "Cinopal", "Fenbuzip 300", "Fenbuzip 450", "Lederfen 450", "Lederfen cp", "Lederfen f", "Fenbufen"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL332171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFHXVEVGKASIEZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(F)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASOVDRYKVVVCIA-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSDPXVXSZACOP-UHFFFAOYSA-N", "SMILES:OCc1cc(-c2ccc(F)cc2F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL125722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMPIMDAYFIIMIH-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2ccc(F)cc2F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEXXLFTHZSNSV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL124299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXSCHTUWINJSV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(F)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFRHISOKBMDTDQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccccc2F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3244583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGUSMAQARLWHHZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(F)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGERKUYJCZOBTB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4245097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSXCSMJOZJLKM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccsc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDXMMAOAJXZWSS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFSODMEEKDHLJ-UHFFFAOYSA-N", "SMILES:N#CC1=C(c2cccs2)NC(SCc2cccc(CC(=O)O)c2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNRPYBAFFXIAIF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C2=CCCC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKWOVJIFRPBQJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C2=CCCCC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVJGNOGFFYBNDC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C2CCCC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3244578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEPXNUXMPYSOQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C2CCCCC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNSRDPQVIHRQQN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(-c3ccccc3)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSPRONFZPLRLH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(Cc3ccccc3)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REHHUONKBGIXRC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc3ccccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL102336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOHGQLRLIZQHC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc3ccccc3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOVWFHAPPKWJRX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(CCO)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNCKEQXKDIOQC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(CO)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDPFIBPARAITL-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccccn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYQYVPCIMLLBI-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cccnn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLGDUUTRSHVAM-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccncn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUMJYMDYNVMOFO-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnccn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHMHCUYKWFASJ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncccn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYJARBJFRUEJK-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABKOKOIKWQTCC-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKROLHBODHQJQB-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(OC)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTFNACBHQZNBQ-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nccc(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRWVUYRJQUAYSL-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nccc(OC)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTHSHTJUGJKWSN-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C(C)(C)O)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUDUVNLDLSPJRG-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C(=O)N(C)C)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPPQJXUUHRZJSG-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C(C)(O)C(F)(F)F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBQFXAPINJTFG-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C(=O)N(CC)CC)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNOFBBGAGJRITM-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncc(C(C)(C)O)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRUAGWEKWPRAU-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncc(C(=O)N(C)C)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKOBMYPPMKMVNN-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(C(C)(C)O)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRRHFYJBAOEEEP-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(C(=O)N(C)C)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YICKYLBZLUTENS-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(C)(C)O)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYHQNIOFBKVSH-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(=O)N(C)C)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWXKNWHEEOPHMD-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(C)(C)O)nn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGAWFHWYYVABX-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(=O)N(C)C)nn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSJMLESGJKWBGG-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncccn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFXBBGNUZPWAR-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(C)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHGVNLHTJTHHE-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(OC)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789639", "category": ["biolink:ChemicalEntity"], "name": "BMS-986202", "xref": ["InChIKey:BBRMAVGRWHNAIG-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC"], "synonym": ["Bms-986202", "BMS986202"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSADOYRTUNEDM-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncccn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEAYJMZIZUBTMO-WNRPKZJSSA-N", "SMILES:C[C@H](CCC(=O)OCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)Nc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3211"], "id": "UniProtKB:Q02734", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPSGRGVPAJGBOB-RFPJQHHXSA-N", "SMILES:C[C@H](CCC(=O)OCCOCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)Nc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOFWEYIPXRVWQC-XTRZVKHSSA-N", "SMILES:C[C@H](CCC(=O)OCCOCCOCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)Nc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAEBIEPJXFNBFB-IRJVCIBLSA-N", "SMILES:C[C@H](CCC(=O)OCCOCCOCCOCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)Nc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQIVZOPDLSEID-DAUYZFDLSA-N", "SMILES:C[C@H](CCC(=O)OCCOCCOCCOCCOCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)Nc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUCRVJEHQBAKP-CNZWOIIDSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@@H](N)CC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3596261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFHHADQGWYMRD-HYFGXOPYSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CCC(=O)O)Nc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRXQEDBCTXTNU-ZROOHNCFSA-N", "SMILES:C[C@H](CCC(=O)OCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)NC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRRTSBHFRYQDA-BIAISYAISA-N", "SMILES:C[C@H](CCC(=O)OCCOCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)NC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKFGBYGBWFZKON-KSOBMHRPSA-N", "SMILES:C[C@H](CCC(=O)OCCOCCOCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)NC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGIDTHMONBWKLK-JSBWIFKASA-N", "SMILES:C[C@H](CCC(=O)OCCOCCOCCOCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)NC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQXCEIDVOBVSFO-KRBZIYOXSA-N", "SMILES:C[C@H](CCC(=O)OCCOCCOCCOCCOCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)NC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVGSSHIWHHHMV-GYYQKKBLSA-N", "SMILES:COc1ccc2c(CC(=O)N[C@@H](CC(=O)O)C(=O)O[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)OCCN=[N+]=[N-])CC[C@@H]54)C3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVIPXNFOUCRDZ-VFVZIWHOSA-N", "SMILES:COc1ccc2c(CC(=O)N[C@@H](CC(=O)O)C(=O)O[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)OCCOCCN=[N+]=[N-])CC[C@@H]54)C3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVOQKXQPJZEUJY-AXSTTYRVSA-N", "SMILES:COc1ccc2c(CC(=O)N[C@@H](CC(=O)O)C(=O)O[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)OCCOCCOCCN=[N+]=[N-])CC[C@@H]54)C3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYWGOUERPZDHG-GWEGPRQLSA-N", "SMILES:COc1ccc2c(CC(=O)N[C@@H](CC(=O)O)C(=O)O[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)OCCOCCOCCOCCN=[N+]=[N-])CC[C@@H]54)C3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQUDTVGKCFNIBD-YBDDYKLVSA-N", "SMILES:COc1ccc2c(CC(=O)N[C@@H](CC(=O)O)C(=O)O[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)OCCOCCOCCOCCOCCN=[N+]=[N-])CC[C@@H]54)C3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511016", "category": ["biolink:ChemicalEntity"], "name": "SOYASAPONIN I", "xref": ["InChIKey:PTDAHAWQAGSZDD-IOVCITQVSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)C[C@@H](O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"name": "Sialyltransferase ST3Gal-I", "synonym": ["CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1"], "xref": ["CHEMBL.TARGET:CHEMBL4802009"], "id": "UniProtKB:Q6H8N0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSSRNHWPMBAGIQ-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCCC2)nc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZDJNIQKMINJE-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCOCC2)nc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBKWFKZVKBPRMY-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)n(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNWKOLBPRHQQM-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCN(c3ccccc3)CC2)nc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVBBOGITSMNBD-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCN(CCc3ccccc3)CC2)nc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIRGUXYFXQDKPH-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCN(Cc3ccccc3)CC2)nc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDMZRIVVDPZQJ-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCC(Cc3ccccc3)CC2)nc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGWYCOTDATRIF-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITIQIURTUHKABJ-UHFFFAOYSA-N", "SMILES:CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)n(C)n1)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKYQVCAEWCQFF-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc(C2(C(F)(F)F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSVOYGJDMCHIRL-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMUKEVOXVFKOG-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZGVVSEOVTOEO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(CN3CCCC3)nn2C)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDALYCHGQSTSR-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2nc(CN3CCCC3)nn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBKMIMNAEYAHEV-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc2c(c1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSJMSQOSUBAJKA-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1cccc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZYNCQBDMRUDMZ-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1cccc(C2(C(F)(F)F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGGYSFOGCEZTC-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc2ccsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMQMLAFQYVQPT-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc2cc(Cl)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWWSQRUXLZDBL-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVMYZZTCNMIRR-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc(C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYSVFURENNVTL-UHFFFAOYSA-N", "SMILES:CCn1nc(CN2CCCC2)nc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPRXWIAVHNOQR-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(CN2CCCC2)nc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPILGGLKCOQLO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nc(CN3CCCC3)nn2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANNCCVFECZMJA-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEFOUZCBRZTWDX-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBAFQRCPUGFRE-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBGKJTZZMXGSJ-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFDFVLFENDESI-UHFFFAOYSA-N", "SMILES:Cn1nc(CN2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYDRRQPGDSIMNU-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBBEYXFRYFVNM-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL404168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKFWEUZFWPIIW-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUCZFWBCFZKEU-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCN(CCCc4ccccc4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJCDLNVLLFWRIX-UHFFFAOYSA-N", "SMILES:CCCOC(=O)C1=C(C)NC(=O)NC1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKXJPLLNSGGOLI-UHFFFAOYSA-N", "SMILES:CCCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPAWLJIMIXUYGY-UHFFFAOYSA-N", "SMILES:CCCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYSXDFUOBFGFG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2cccs2)NC(=S)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKLQYVXKPBNJU-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)N(C)C(=O)NC1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABAWUOJZGIVORV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC2CCC2)C(c2ccco2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKQRDMHESRVIDD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CC2)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNYKJQQVRIFAC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC2CCC2)C(c2ccsc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJZLVZKCQHYCRA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CC2)C(c2ccsc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLQVOQGYVOBZIX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC(C)C)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZSMJZRFPEAJF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)NC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSYYCSKXLRUFN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEISSQSUJMTJLU-UHFFFAOYSA-N", "SMILES:CCCOC(=O)C1=C(C)NC(=O)NC1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISBOJIHFHAQPL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2cccs2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1460793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWPCNLBVFVLED-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC(C)C)C(c2ccsc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYZQWBZKLLMMT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccsc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDJUDFRVMBKPHC-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)N(C)C(=O)NC1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOAWIQDBOKHVAP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)(C)C)C(c2ccco2)NC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNHKFAAYMPAJFB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccoc2)NC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOLNIACMJVGWAA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2cccs2)NC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1407320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEUPATADTMQRKB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccsc2)NC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTDHCHTFPCQDA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCC2)C(c2ccco2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFJUFHDOBVDAW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCC2)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGHPQBPXMNHKTK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCC2)C(c2ccsc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1566489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPAVIZFYHAEHR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZXJNCWJQXMVSB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=S)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1585743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOUPVFFEMXNRB-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(=O)NC1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1606497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQIGXCCKCMDVJZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1490082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVBLUKTOOTWMN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4782393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAUJLXGMDZHYEP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC(C)C)C(c2ccco2)NC(=O)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4474844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLSJWXAWACNRQA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)NC(=O)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1544856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKTDAYOTVMBJGR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFIZGPJSMSHXKU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNQCXACZWLHMDC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)(C)C)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTHMOHEARKGGW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC(C)C)C(c2cccs2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADIHGNGEIAUSB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1377918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHPHIDDIYSRLDB-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)N=C(S)NC1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1304358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMCCRDZRJWDQX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N=C(S)NC1c1ccco1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3091700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZWONWQKYPPIS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=S)NC1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJNKNVIGXIGFIM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=S)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZHWXHLRHYHQF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)(C)C)C(c2ccoc2)NC(=S)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1322729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHSDNDGFRRFSTQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N=C(S)NC1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1561375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORCKTORTRFHJU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cccs2)NC(S)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1517366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPUCFQBORCGNX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N=C(S)NC1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEXDCPBIWAQPT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=S)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOIYSXIGNVYER-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRDSPCILMPBNJU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWGUAGVMNICLN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHUWAKNPUOJKGN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)C2CC2)C(c2ccco2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUFOMXLIOQVPJR-UHFFFAOYSA-N", "SMILES:CCCC(=O)C1=C(C)NC(=O)NC1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKDQEMDBJVZLQ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)CC(C)C)C(c2ccco2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBWLHPDZRTKQS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)CC(C)C)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XECOLIGLVGXJMC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)CC(C)C)C(c2ccsc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QONAMLKUBOEKQY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)SC(C)C)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUPVYSXMMMRULA-UHFFFAOYSA-N", "SMILES:CC1=C(c2ncc(C)o2)C(c2ccco2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGZUWJLMXGOVAL-UHFFFAOYSA-N", "SMILES:CC1=C(c2ncc(C)o2)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJIALRNNNRDWNA-UHFFFAOYSA-N", "SMILES:CC1=C(c2ncc(C)o2)C(c2ccsc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPWPAMBHBMZLSA-UHFFFAOYSA-N", "SMILES:CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccco1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4777520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJHDZNAYRMFATH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC2CCCC2)C(c2ccco2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIKPLTXPPYVKSR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CC2)C(c2ccco2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNONNMTERDTMT-UHFFFAOYSA-N", "SMILES:CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHACCIOBJYCHPO-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC2CCC2)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKLUAOAKCFPGER-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC2CCCC2)C(c2ccoc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELBKVDVVZKUIF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC2CCC2)C(c2cccs2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXCLZPETHJPHE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CC2)C(c2cccs2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFBAOZOSJZHLHN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCC2)C(c2cccs2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNPYYHHPICXKBK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC2CCCC2)C(c2ccsc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPAVIZFYHAEHR-SNVBAGLBSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZXJNCWJQXMVSB-LLVKDONJSA-N", "SMILES:CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)NC(=S)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3787197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHLRBMDXQBOIB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3ccccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJIGDRVNOFYPOF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)(C)C)C(c2ccco2)NC(=O)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4780611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKHQMQQCZFLBRZ-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(=O)NC1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1371053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHKYBGQFPYEOE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)NC1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1571013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWJDGKXKRYLWCE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cccs2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBUDINSCFPVNHG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)(C)C)C(c2ccsc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUATTYKEUFBNDI-UHFFFAOYSA-N", "SMILES:CCCOC(=O)C1=C(C)NC(=S)NC1c1ccco1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4793862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOTUVWVTTLWGRS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)NC(=S)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4797764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMUORIVBZFMGM-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(=S)NC1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWVPLEOOJGZHGT-UHFFFAOYSA-N", "SMILES:CCCOC(=O)C1=C(C)NC(=S)NC1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVAAXPYHBZYQLQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1373953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAPSICMFUIXQHS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPHYTRLTMKEES-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)CC(C)C)C(c2cccs2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGBBHQJYGFQWMW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NC(C)C)C(c2cccs2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMWJYHFRTFZYHR-UHFFFAOYSA-N", "SMILES:CC1=C(c2ncc(C)o2)C(c2cccs2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPKRABUEPOPVDF-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cccc3ccncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIKXCGPZKMDDCE-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(-c2cccc3ccncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFVADCRXDVRGHS-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cccc3ccncc23)c(OCCc2ccc(-c3cccc4ccncc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOBJJEIVOKWSMI-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3c[nH]c4ccncc34)c(OCCc3ccc(-c4cccc5ccncc45)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEIJGDSFRHGMS-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2cnc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOQJCHQYCMRITA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cnc3ccccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1507048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFSXKKJZEMLAJF-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVSFPVFEQPRJW-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)c2ccccc2N1Cc1ccccc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBELGFUORSPKRN-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2ncc(-c3ccc4c(c3)N(Cc3ccccc3OC(F)F)C(C)(C)C4=O)cn2)CCN1C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHCNWXORDNTOR-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2ncc(-c3ccc4c(c3)N(Cc3cccnc3C#N)C(C)(C)C4=O)cn2)CCN1C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNZYBKAOUOJHU-HXUWFJFHSA-N", "SMILES:CC1(C)C(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2N1Cc1cccnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJNLMJGGICDGW-UHFFFAOYSA-N", "SMILES:O=C(NCCOCCOCCOCc1ccc(-c2cccc3ccncc23)c(OCCc2ccc(-c3cccc4ccncc34)cc2)c1)c1ccc2c(c1)C(=O)OC21c2cc(F)c(O)cc2Oc2cc(O)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPBLZWMUUPXUPP-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)cn1)c1cc(OCC(C)C)c(C(C)C)cc1NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULMIFUYGJNTQBU-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)cn1)c1cc(OCC(C)C)c(C(C)C)cc1NC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460026", "category": ["biolink:ChemicalEntity"], "name": "ICOSAPENT", "xref": ["InChIKey:JAZBEHYOTPTENJ-JLNKQSITSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O"], "synonym": ["Icosapent", "Icosapento", "Eicosapentaenoic acid", "All-cis-fatty acid 20:5 omega-3", "C20:5 (n-3)", "Eicosapentaenoate", "Eicosapentaenoic acid", "Eicosapentaenoic acid (c20:5 n3)", "Icosapent", "Incromega e 7010sr", "Ropufa 70", "Timnodonic acid", "EPA 45G", "Eicosapentaenoic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4788032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYOWSPHCDVKOAO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCCCCC(O)(CC)CC)c(C)c2)n1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDVNAWWNVKYKPJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCCC(C)(C)O)c(C)c2)n1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTVDQCBPHLGTI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCCC(O)(C(C)C)C(C)C)c(C)c2)n1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYHMLKAFDLSGJE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCCCCC(O)(C(C)C)C(C)C)c(C)c2)n1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRBXMZNEQVCHKK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCCCC(O)(C(C)C)C(C)C)c(C)c2)n1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBOYAMSKXNEOTE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCC(O)c3ccccc3)c(C)c2)n1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNBFENYBANRYLS-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cc(C(CC)(CC)c2ccc(OCCC(O)(CC)CC)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFMUQZVFAQUQB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cc(C(CC)(CC)c2ccc(OCCCCC(O)(CC)CC)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOKOTLFRJFWUQX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc(C(CC)(CC)c2ccc(OCCC(C)(C)O)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHKIPGAZRMDLJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc(C(CC)(CC)c2ccc(OCCC(O)(CC)CC)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQQDYBXBSPVAB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc(C(CC)(CC)c2ccc(OCCCCC(O)(C(C)C)C(C)C)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJXKCANOCJZRSM-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc(C(CC)(CC)c2ccc(OCCCCCC(O)(C(C)C)C(C)C)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDHVZNPBFIMBOY-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc(C(CC)(CC)c2ccc(OCCCC(O)(CC)CC)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRUPXVJXAHUAC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc(C(CC)(CC)c2ccc(OCCCC(O)(C(C)C)C(C)C)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXGFJPNLVCRNX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYSZGXXIKSKBR-UHFFFAOYSA-N", "SMILES:CCC(O)COc1ccc(C(CC)(CC)c2cc(C(=O)NCCCN(CC)CC)n(CC)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJBNDZVABXVHL-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc(C(CC)(CC)c2ccc(OCC(O)C3CC3)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWGLQZCWUEGRG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc(C(CC)(CC)c2ccc(OCC(O)c3ccccc3)c(C)c2)cn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNWYWZIKEVPPDF-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)NCCN(C)C)ccc1C(CC)(CC)c1ccc(OCCC(C)(C)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJVCHZWDZVSQME-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)NCCN2CCN(C)CC2)ccc1C(CC)(CC)c1ccc(OCCC(C)(C)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPQMEPKIYPESIT-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)NCC2CCCO2)ccc1C(CC)(CC)c1ccc(OCCC(C)(C)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLNJIAPYGPXCE-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)NCC2CCOCC2)ccc1C(CC)(CC)c1ccc(OCCC(C)(C)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKBYVRKKPDEGGI-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)NC(O)CO)ccc1C(CC)(CC)c1ccc(OCCC(C)(C)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJIEACJNZCWQI-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)NCCCN2CCOCC2)ccc1C(CC)(CC)c1ccc(OCCC(C)(C)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSRIEVDOFTZXAW-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)NCCCN2CCN(C)CC2)ccc1C(CC)(CC)c1ccc(OCCC(C)(C)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTDYYSXAMNQQNZ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cc1C(=O)NCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYDVLDDSHKQFS-UHFFFAOYSA-N", "SMILES:CCn1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cc1C(=O)NCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCPXZCHUDGLRX-UHFFFAOYSA-N", "SMILES:CCn1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cc1C(=O)NCC1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOGCIZSTAZIIJ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cc1C(=O)NCC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDVRXMYUWNAVAU-UHFFFAOYSA-N", "SMILES:CCn1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cc1C(=O)NC(O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWFWXTXBCALMCQ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cc1C(=O)NCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURAXGQKEUTJEF-UHFFFAOYSA-N", "SMILES:CCn1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cc1C(=O)NCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDEQITKRNDIIKC-UHFFFAOYSA-N", "SMILES:CCn1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cc1C(=O)NCCCN(CCO)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQQLNNNIPYSNX-GMGGYIQASA-N", "SMILES:C=C1/C(=C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4104511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJYHWLDDJBTMX-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4788749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPXRQHIIWSONU-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)cc1-c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QROCBBAHLUQNCI-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)c2ccc(Cl)cc2)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWMIVEOPMJMSEE-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOFAPEHHHBUGIQ-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIMVPBOHVFERKC-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNKULURGOKUKDK-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(C)(C)C)cc1C(=O)NC12CC3CC(CC(O)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXWIZSAKLVSSER-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC2CCCCC2)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSWTIPUHFHWKA-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NCc2ccc(Cl)cc2)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIAGHXGOPIEIAM-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)C)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPWXNZELNDCBF-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCKREHLBAKETMR-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(C)(C)C)cc1C(=O)NC(C)(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLZERCBQYUZSS-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(C)(C)C)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMUWJTZYCLSUIH-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)Nc2ccncc2)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTPEVXTTDTWFG-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)Nc2ccc(Cl)cc2)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZPUPNADMINWKA-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDPDDKDEJVDRQT-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(C)(C)C)cc1C(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEMRXYRYCUZJF-INIZCTEOSA-N", "SMILES:CCCCCn1nc(C(=O)N[C@@H](C(=O)OC)C(C)(C)C)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKSCNTBYTYTZDO-MRXNPFEDSA-N", "SMILES:CCCCCn1nc(C(=O)N[C@@H](C(=O)OC)C(C)C)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKSCNTBYTYTZDO-INIZCTEOSA-N", "SMILES:CCCCCn1nc(C(=O)N[C@H](C(=O)OC)C(C)C)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTWAZGVKXHMRK-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPNMDDLFFGZJN-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQROFJZGWHIMH-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)cc1CC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWUGHBNYWNIAS-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJWJTEIYWBCRRB-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)cc1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRDBASZYLPJLX-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)c(Cl)c1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHWNLMFQAHUAHR-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)c(Br)c1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYSBUKXGVLCODW-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)c([N+](=O)[O-])c1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKFMYYFJMOSDSG-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC(C)(C)CO)c(N)c1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWZZHQYVGSLVOS-UHFFFAOYSA-N", "SMILES:CCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFLJXMTXUWHXQF-UHFFFAOYSA-N", "SMILES:CCCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEWRXXLHNPMREQ-UHFFFAOYSA-N", "SMILES:CCCCCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPZHWCNEQIVRGP-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(CCCF)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNBJFIVJTNRPQI-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(CCCCF)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJSOULNNMGREX-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(CCCCCF)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCJOGKZTODMTKX-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(CC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCDDBVIRNVYCE-UHFFFAOYSA-N", "SMILES:COCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYALXMHZDJWSI-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQVWLFOQYIKOL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)NC(C)(C)CO)cc2C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZDVQMXLQYWAQF-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKIVWBWZMAJYSC-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDTZFZQJKMWRO-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUMQXORWFHRUCB-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)NC(C)(C)CO)cc2C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILFWWLWNMVDHEC-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFLPDBUTRRNPCZ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(F)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGKSTLYCEXOOBS-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRCCHQUTKCTBZ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTPBZAKHLNJIOJ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJMLBXVPBRZTF-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(Cl)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIANDZHTDXIIKC-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(F)(F)F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZMOWGILEHUXQY-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ncc(C(F)(F)F)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZCAYXUOSHCDKX-UHFFFAOYSA-N", "SMILES:CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ncccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRMTZTQHCDVWNR-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2ccc(=O)n3C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPFTVXEMIKVBV-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3ccc(=O)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBIISZAFPJBGRK-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3cc[nH]c(=O)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJUJCYVLPHSQJV-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3ccc(=O)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMRJPMKHJGTMZ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3[nH]c(=O)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZYZHJHVMKWGAB-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c(=O)[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBLKIUUMNQRJTJ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c(=O)n(C)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDFVYSUAQPSIM-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3cc[nH]c(=O)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCSPNNBKNEQAH-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3[nH]c(=O)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLFMDMMXKJCHX-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWPORDQEBWYCS-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2ccccc2)CC1)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFQQAHYZLKEDG-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1N1CCCC1)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVCEJZYJAXPSY-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNZEOFFGBIQIK-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLZOXIJBVLCLFO-UHFFFAOYSA-N", "SMILES:CC(C)COc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYPOJOKKTVZASI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1OCC1CCC1)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGMHFBSLWYUIK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFZCSZJPPDMGM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTIVIIWGHFMLBU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRMMCMDYFQTAO-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c(=O)[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMADJLCKZYXRAK-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)Nc1cccc2c(=O)[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUGOKDGNXUUHE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3c(=O)[nH]ccc23)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTRLLZNVUQBQI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKKYGTZWYQWKW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2ccccc2)CC1)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXIPLFNXBFRLC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1N1CCCC1)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRSUJDROCJWEMD-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKKDYCFGYYEELB-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCAWXNUXUUHOHF-UHFFFAOYSA-N", "SMILES:CCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUVNQRZAVYIUIF-UHFFFAOYSA-N", "SMILES:CCCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDCBXRXRORXNA-UHFFFAOYSA-N", "SMILES:CC(C)COc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXXWBULQPHXCHU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1OCC1CCC1)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCOAJOURWEFEB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWULRIXFTDRQCL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKBWRKHZOTYXSN-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEIHCSFDVGJNKP-UHFFFAOYSA-N", "SMILES:CC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3[nH]c(=O)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXRUHXJZDCWLDX-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3[nH]c(=O)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCOCANVRLGXAOK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYLLPUBJKHONBL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHIPPKVVCUJTD-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(F)c1)Nc1cccc2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELNVNHRSCEZHF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)Nc2cccc3[nH]c(=O)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZDLIOQXLTYMPH-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)Nc2cccc3[nH]c(=O)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYJPBVRIDRGDAE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]c(=O)ccc23)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUROBYCXYIADBZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]c(=O)ccc23)n(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHSBNOHGAXYJSI-SWYXWEQBSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHSBNOHGAXYJSI-FVBVXOILSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIHFNNZABDKAOK-JVDNRXPZSA-N", "SMILES:C#CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNVDNYKAWGIGX-JVDNRXPZSA-N", "SMILES:C=CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEAKQGYJVIVQFU-MPGAHLTBSA-N", "SMILES:C#CCCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMWSJERABWKZDG-MPGAHLTBSA-N", "SMILES:C=CCCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMLWKXXDIJCNKR-VCRXTVNUSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c(C)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRDGYYDBHKNKB-JVDNRXPZSA-N", "SMILES:CC#CC(=O)Nc1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPPSSRQYYRDLZ-QAIWHXNASA-N", "SMILES:C=CC(=O)Nc1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFMPRQHYRZZWNZ-QAIWHXNASA-N", "SMILES:C=CS(=O)(=O)Nc1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWWMLSOJAKHPMN-GEYIUBJWSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c(C)c1NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWLXMPUSPCUBJU-IQLSFDOPSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c(C)c1NC(=O)/C=C/CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCZKXWQNBNADHK-GEYIUBJWSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c(C)c1NC(=O)CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIMVEZLCRDTPW-SMOHNXANSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c(C)c1NC(=O)C(O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITIVZXEZKAROK-HDMKWSPCSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c(C)c1NC(=O)/C(C#N)=C/C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQVINFWTYWSKCH-SMOHNXANSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c(C)c1NC(=O)C1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHAGHRFIEBMQQZ-NXUSMQHESA-N", "SMILES:Cc1cccc(C[C@@H](C)NC(=O)c2ccc3c(c2)/C(=C/c2[nH]c(C)c(NC(=O)CCl)c2C)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDAXRRQYZMQGI-LQFJMUIISA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)Cc4ccc(F)cc4)cc32)c(C)c1NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZODHCAKPDDOC-AXLWCPOOSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccncc4)cc32)c(C)c1NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOFJXSFEJFTBAG-JVVDOCDTSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccn4)cc32)c(C)c1NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEBZFRTRFQQRP-LQFJMUIISA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)Cc4cccc(Cl)c4)cc32)c(C)c1NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANBJETUDMSZMCK-NXUSMQHESA-N", "SMILES:Cc1ccc(C[C@@H](C)NC(=O)c2ccc3c(c2)/C(=C/c2[nH]c(C)c(NC(=O)CCl)c2C)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJUGKRZEEZNZQI-LQFJMUIISA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)Cc4ccc(Cl)cc4)cc32)c(C)c1NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJURVNAPYUVIOQ-LQFJMUIISA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)Cc4ccc(F)cc4)cc32)c(C)c1NC(=O)CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLBHYARBCFMOQ-MOSHPQCFSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)NCCc4ccccc4)cc32)c(C)c1NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTEHJDRSPQNHIX-BKUYFWCQSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)NC(C)(C)Cc4ccccc4)cc32)c(C)c1NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQBMCRLBNZQCEW-YMSBRDKKSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@@H](Cc4ccccc4)C(C)C)cc32)c(C)c1NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQSJVFQDTYPFW-NHDPSOOVSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)NC4(Cc5ccccc5)COC4)cc32)c(C)c1NC(=O)CCl"]}
{"name": "Beta-adrenergic receptor kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3711550"], "id": "UniProtKB:P21146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKZOUKWYXPCNTM-CNEMSGBDSA-N", "SMILES:O=C(O)C(OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPAHJMPNALURLS-CMAHQRSQSA-N", "SMILES:O=C(O)C(OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCLIVHPBMJKNJA-LSCFUAHRSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMVMAVQALRACJ-SCFUHWHPSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYWBEHSRDGWFHM-NVQRDWNXSA-N", "SMILES:COc1ccccc1CCNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMNAJAXOYEEEA-SCFUHWHPSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4F)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWZHOYAGYANMNW-QHOAOGIMSA-N", "SMILES:C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWZHOYAGYANMNW-DPHITLOKSA-N", "SMILES:C[C@@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAQXAWGKJGTPV-LSCFUAHRSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULZDKMFCYVJGK-SCFUHWHPSA-N", "SMILES:CN(Cc1ccccc1Cl)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRPRHELCKDVINK-XNIJJKJLSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NCc4ccccn4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNKMQZMYFPSSK-SDBHATRESA-N", "SMILES:Cn1cc(CNc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTDPABHHRSFDF-FRJWGUMJSA-N", "SMILES:Cn1cnnc1CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRZIHFXSOFNQA-QYVSTXNMSA-N", "SMILES:CC(C)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQLXJJYCMDHNBD-QYVSTXNMSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXVIKUQBLYURJ-IDTAVKCVSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDWNWOVOJESRL-SDBHATRESA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMPNQABZGKQAOL-XNIJJKJLSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NCC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDYAQWRZJNIKU-IDTAVKCVSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(N4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIMQQGZVALTGX-BAYCTPFLSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEUUEOAEMGJPIF-IDTAVKCVSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(N4CCOCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEVKHLMQBAGRD-UVLLPENVSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(-c4ccccc4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAZQHQMCRYZFJH-DYVMYPEFSA-N", "SMILES:Cc1ccccc1-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMIOHNVVXLSKM-XKLVTHTNSA-N", "SMILES:COCc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHCLRMZPAKSOA-UGTJMOTHSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(COc4ccccc4)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLQKDSAQJCAKZ-DNNBLBMLSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDDBCBRQCCGKR-BNGXUDDSSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VULCORDCMXIOCO-XNIJJKJLSA-N", "SMILES:O=P(O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJJUDAXEIWYQR-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLRKFUMNTYTAA-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)S(=O)(=O)c1cc(C(N)=O)c(NC(=O)c2ccn[nH]2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZARTTVQWAZFE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(S(=O)(=O)N2CCCCC2)sc1NC(=O)c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQNZFXWDGPZJI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(S(=O)(=O)c2ccc(F)cc2)sc1NC(=O)c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPWCRORYBUTGC-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1sc(S(=O)(=O)c2ccc(F)cc2)cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4777140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDEMLRLUQJYHFQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(S(=O)(=O)c2ccc(F)cc2)sc1NC(=O)C1(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLHUOCKRRWTOSY-UHFFFAOYSA-N", "SMILES:CC(C)(O)C(=O)Nc1sc(S(=O)(=O)c2ccc(F)cc2)cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKIVLHKDMKSIA-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)c2cc(C(N)=O)c(NC(=O)C(C)(C)O)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFXRVSCDNDCCM-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNC(=O)c1ncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGMBPFIUBYVLME-GFCCVEGCSA-N", "SMILES:Nc1cc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cnc1C(=O)NC[C@@H](O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOGNCVNHXWFIX-VIFPVBQESA-N", "SMILES:C[C@H](O)CNC(=O)c1ncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERGVLDNFJGDTL-UHFFFAOYSA-N", "SMILES:Nc1cc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cnc1C(=O)NCC1(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJZDAUEHSAWEB-GFCCVEGCSA-N", "SMILES:Nc1cc(S(=O)(=O)c2ccc(F)cc2)cnc1C(=O)NC[C@@H](O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCHBGZYGDTWRDD-UHFFFAOYSA-N", "SMILES:Nc1cc(S(=O)(=O)c2ccc(F)cc2)cnc1C(=O)N1CC(O)(C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVUVNNMEKGPMZ-GFCCVEGCSA-N", "SMILES:Nc1cc(S(=O)(=O)c2ccccc2OC(F)(F)F)cnc1C(=O)NC[C@@H](O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQYNQTXEXQNIJC-UHFFFAOYSA-N", "SMILES:Nc1cc(S(=O)(=O)N2CCC(OC(F)(F)F)CC2)cnc1C(=O)NCC(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQIAABYXCUQXQJ-FMPIMLGNSA-N", "SMILES:COc1c(OCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"name": "Serine/threonine-protein phosphatase PGAM5, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4802013"], "id": "UniProtKB:Q96HS1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4802016"], "id": "UniProtKB:Q9HAN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "28S rRNA (cytosine-C(5))-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4802014"], "id": "UniProtKB:Q96P11", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONYXWQDUYMKFB-HNNXBMFYSA-N", "SMILES:O=C1C[C@@H](c2ccccc2)Oc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1092943", "category": ["biolink:ChemicalEntity"], "name": "PLATENCIN", "xref": ["InChIKey:DWUHGPPFFABTIY-RLWZQHMASA-N", "SMILES:C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@@H]1CC3"], "chembl_natural_product": true}
{"name": "3-oxoacyl-[acyl-carrier-protein] synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL5341"], "id": "UniProtKB:Q5TKS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJYQISVXAULDA-PBXYHTHBSA-N", "SMILES:C=C1C[C@@]23CC[C@@H]1C[C@H]2[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)[C@@H]1O[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWHFZDTXBEULL-CKXMXMCGSA-N", "SMILES:C=C1C[C@]23C=C(Sc4ccc(C)cc4)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRXEYDNDLMBII-CQHLWJJXSA-N", "SMILES:C=C1C[C@]23C=C(SC4CCCCC4)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKIOHUBIWPLEF-BUMVFUDHSA-N", "SMILES:C=C1C[C@]23C=C(Sc4ccc(I)cc4)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASAHAFOLXSXXTA-RSSVAIOBSA-N", "SMILES:C=C1C[C@]23C=C(Sc4cccs4)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVLJBQTQXYTKV-LLOZQTGWSA-N", "SMILES:C=C1C[C@]23C=C(Sc4ccccn4)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVFQJFGRYCHLF-RSSVAIOBSA-N", "SMILES:C=C1C[C@]23C=C(SC(C)(C)C)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVWYBOXPUFELH-GHBSWYQYSA-N", "SMILES:C=CCSC1=C[C@]23CC[C@H](C[C@H]2[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C1=O)C(=C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPSJDXGUDIZPZ-GHBSWYQYSA-N", "SMILES:C=C1C[C@]23C=C(SCCC)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUKYKITVVLSYDF-QENXYIFXSA-N", "SMILES:C=C1C[C@]23C=C(Sc4ccoc4C)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUQDCFNURPTCI-RSSVAIOBSA-N", "SMILES:C=C1C[C@]23C=C(Sc4ncccn4)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEVQJZCQCXRTCV-BUMVFUDHSA-N", "SMILES:C=C1C[C@]23C=C(Sc4ccc(Br)cc4)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOHXJLQPBUBGHW-CKXMXMCGSA-N", "SMILES:C=C1C[C@]23C=C(Sc4ccccc4C)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEDLFCYMHFMDCE-VFYZHTGASA-N", "SMILES:C=C1C[C@]23C=C(SCc4ccccc4)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@H]1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWVZORIKUNOTCS-OAQYLSRUSA-N", "SMILES:Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGOATVWZWAPATC-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc([N+](=O)[O-])ccc2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQABCQIUSYAXIO-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2cc(-c3cc([N+](=O)[O-])ccc3F)cnc2N)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHWXURVXTQGCOB-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLQGJWSWHGPJM-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKUJYOYTNMQBMO-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHCIYIVDQIPJF-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc3sccc23)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWUYDQYLLPTFHP-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc(F)cc([N+](=O)[O-])c2)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZLJNQDKBYFQQS-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc([N+](=O)[O-])cc(F)c2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQCJYGOHAUFTOB-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc([N+](=O)[O-])c2)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHANLNIEKAAFF-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc([N+](=O)[O-])c(Cl)cc2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPRIPLGULFHQQ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc3c(cc2F)OCC(=O)N3)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSUHTDQCFCDBA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc([N+](=O)[O-])c(NCc3ccccc3)cc2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWIEQPIZZSHBG-UHFFFAOYSA-N", "SMILES:CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCEPNKAAQDQEON-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccccc2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKRISLPYBUFST-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cc(-c3cc([N+](=O)[O-])ccc3F)cnc2N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHJVMTJCNFGLOC-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cc(-c3cc([N+](=O)[O-])ccc3F)cnc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQAFQEGGRBEJNZ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc([N+](=O)[O-])cnc2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKUYMJCSXBTRJB-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc3ncsc3c2)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQBHWBCOYXYZGP-UHFFFAOYSA-N", "SMILES:C#Cc1cc(F)c(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRFOAXLHCRUXME-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXSNWXRRQOCBJ-UHFFFAOYSA-N", "SMILES:CCOc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOMSPKFTPGVHPJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHVIOCANKWCGPB-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)NC2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPFGHUEIYDXCZ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnccc2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCBWFWVXJHTFX-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSPDCMFNWWGOZ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXHGTQYTBIIWAL-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTACXEYUKVFMEF-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)N(C)C2CCOCC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJHZXNRYXBMPP-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc([N+](=O)[O-])cc2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMXSWKYBYSHHA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc3scnc23)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLERTVWFPXCRBL-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cncc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSWHCPAITKDXMI-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(F)c3ncsc23)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDXAMXWPRBZKTC-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc(NS(=O)(=O)C3CC3)c2)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEDVWVRNWLCGIW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc(-c3nccs3)c2)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HISUPVQNZBJUNP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nccs2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVRLQJIVOAAFN-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCBMTCBBJRLAFX-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(-c3cc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4F)cnc3N)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQHLACSPINNCQV-UHFFFAOYSA-N", "SMILES:CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(=O)[nH]cnc4c3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBJHORFXCMACKN-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc(-c3cccc4ncsc34)ccc2F)cc1-c1ccc2c(=O)[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHOLCLHYHLXPQL-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJXDWBCSVQOIR-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OCc2ccccc2)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIQBGIUTDZYFOT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYGQOFUUYHTPQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANBTRQIIOCHRE-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCC2)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWBHAEJBLYQDRE-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(F)c3ncsc23)cc1-c1ccc2c(c1)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDAADZCSDCLHY-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc(S(N)(=O)=O)c2)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYLNBVCALXARL-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOKDBEGGDWEOBD-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc3scnc3cc2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQECYUYHUIZUJQ-UHFFFAOYSA-N", "SMILES:CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CNC4=O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLOIJUIDHUKLRX-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQVBIURGGWKQOR-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2scnc2Cl)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBUSVPVKMAQGRH-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(-c3cc(-c4cccc5ncsc45)cnc3N)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPTKYVUATYZVPM-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXTVOYCMZPRFRY-UHFFFAOYSA-N", "SMILES:CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1"]}
{"name": "Serine/threonine-protein kinase DCLK3", "xref": ["CHEMBL.TARGET:CHEMBL6123"], "id": "UniProtKB:Q9C098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Diacylglycerol kinase eta", "xref": ["CHEMBL.TARGET:CHEMBL4105940"], "id": "UniProtKB:Q86XP1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Microtubule-associated serine/threonine-protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL2417352"], "id": "UniProtKB:O60307", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase greatwall", "xref": ["CHEMBL.TARGET:CHEMBL4105826"], "id": "UniProtKB:Q96GX5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase OSR1", "xref": ["CHEMBL.TARGET:CHEMBL1163104"], "id": "UniProtKB:O95747", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PAN2-PAN3 deadenylation complex subunit PAN3", "xref": ["CHEMBL.TARGET:CHEMBL4105985"], "id": "UniProtKB:Q58A45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenosine 5'-monophosphoramidase HINT1", "xref": ["CHEMBL.TARGET:CHEMBL5878"], "id": "UniProtKB:P49773", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon-induced, double-stranded RNA-activated protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL5785"], "id": "UniProtKB:P19525", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase PRP4 homolog", "xref": ["CHEMBL.TARGET:CHEMBL1908382"], "id": "UniProtKB:Q13523", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal protein S6 kinase delta-1", "xref": ["CHEMBL.TARGET:CHEMBL1795193"], "id": "UniProtKB:Q96S38", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "STE20-related kinase adapter protein beta", "xref": ["CHEMBL.TARGET:CHEMBL4105756"], "id": "UniProtKB:Q9C0K7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Activin receptor type-1C", "xref": ["CHEMBL.TARGET:CHEMBL5642"], "id": "UniProtKB:Q8NER5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inositol-tetrakisphosphate 1-kinase", "xref": ["CHEMBL.TARGET:CHEMBL1938220"], "id": "UniProtKB:Q13572", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFUHWZUYZJGVKM-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc3cc(CCNc4ccnc5ccc(C#N)cc45)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076837", "category": ["biolink:ChemicalEntity"], "name": "SENEXIN B", "xref": ["InChIKey:VNADJTWHOAMTLY-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc3cc(CCNc4ncnc5ccc(C#N)cc45)ccc3c2)CC1"], "synonym": ["Bcd-115", "Senexin b", "BCD-115"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKQQBUPNGUMRJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2nccc(NCCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAWKVIDJVQVNGD-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cc1ccc(N2CCCN(c3ccnc4ccc(C#N)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YACHNZQGALHTFX-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(N2CCCN(c3ccnc4ccc(C#N)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUHDQOLMPGEKMF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nccc(NCCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHLSMVDLNDGHO-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc3nc(CCNc4ccnc5ccc(C#N)cc45)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YONMYTMORGTPSC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc2cc(CCNc3ccnc4ccc(C#N)cc34)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJYNYQLZSFUBEU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2nccc(NCCc3ccc4cc(C(=O)N5CCN(CCCO)CC5)ccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POAXQSRRJSJZQI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2nccc(NCCc3ccc4cc(C(=O)N5CCNCC5)ccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60718", "category": ["biolink:ChemicalEntity"], "name": "TPCK", "xref": ["InChIKey:MQUQNUAYKLCRME-INIZCTEOSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4870304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSGSTXTTGUGQD-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NC3CC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"name": "Inactive serine/threonine-protein kinase 19", "synonym": ["Winged helix repair factor 1"], "xref": ["CHEMBL.TARGET:CHEMBL4879437"], "id": "UniProtKB:P49842", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXADRPBDDAJSS-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N(C)C3CC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETDSAVZDPPMTC-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NC3CCC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZUYRJUAQWDPQ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NC3CCCC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLIMBDFGNHOZKM-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NC3CCCCC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBYDRRHYYUEDW-UHFFFAOYSA-N", "SMILES:CNc1nc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCPPWRBERNHNT-UHFFFAOYSA-N", "SMILES:CCNc1nc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OC)cc2n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INFIEOFPNMPPOP-UHFFFAOYSA-N", "SMILES:CCC(C)Nc1nc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBFPHIJIYNXER-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCN(C)C)nc(NC3CCN(C(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUPIFMRTFUQTIV-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJIBHVDLNURFS-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C)CC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIHTVONFBOHTAW-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCOCC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOABKHGPAVKBOX-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(NC3CCCCC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATPHONFOILMCU-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(NCCN3CCOCC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USPXZWXTEOUWLE-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(NC3CCC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOXHZAIRLYMPFX-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(NC3CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTBDPRXVCOWKEB-UHFFFAOYSA-N", "SMILES:CNc1nc(N2CCC(F)(F)CC2)nc2cc(OC)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCOIYMFXHOHOLL-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(NCCN(C)C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWWXSRCKVLRESN-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(N(C)C3CCN(C)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJCAQDXQQVDQO-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(Nc3ccccc3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZCHENOOCNFSC-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCOCC3)nc(N3CCC(F)(F)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSRBSWISLJYGSW-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(N3CCOCC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOBRLMXVROVOTM-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(N3CCC(F)(F)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFGLZZRCEXHHGB-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(N3CCC(N(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQLWDTWRHZSWML-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(N3CCN(C)CC3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKUZNVHIUOXEIQ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C)CC3)nc(N3CCC(F)(F)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCIQIGQZGSHHHR-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccccc3)nc(NC3CCN(C(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJNJRQCQADQIDF-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCC(F)(F)CC3)nc(-c3ccccc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTTRAYOVUAMEKR-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C)CC3)nc(-c3ccccc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVQLGFZRPCBHY-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NC(C)C)nc(-c3ccccc3)c2cc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZRGJREKAMZNV-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c2cc(OC)c(OC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDVHZQAEVPQQO-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccccc3)nc(-c3ccccc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQXAYYNHBLKLV-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(Nc2nc(NC3CC3)nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGMXQWPLJHMMQT-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(Nc2nc(N3CCC(F)(F)CC3)nc3ccccc23)CC1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMZPFGZCBFIVGM-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(c2nc(N3CCC(F)(F)CC3)c3ccccc3n2)CC1.O=C(O)C(F)(F)F"]}
{"name": "Cyclin-dependent kinase 2 homolog", "xref": ["CHEMBL.TARGET:CHEMBL2189145"], "id": "UniProtKB:Q07785", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5839"]}
{"id": "CHEMBL.COMPOUND:CHEMBL607535", "category": ["biolink:ChemicalEntity"], "name": "MEISOINDIGO", "xref": ["InChIKey:QNOCRUSVMMAKSC-CCEZHUSRSA-N", "SMILES:CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKKFBQFUXNWHX-UHFFFAOYSA-N", "SMILES:Cn1cc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSELUFUYNUNZKD-UHFFFAOYSA-N", "SMILES:Cn1cc(-n2cnc3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCOCC4)nc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURVWZJAXQBDOE-CYBMUJFWSA-N", "SMILES:Cn1cc(-n2cnc3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCOC[C@H]4CO)nc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFLWENDTYLYORX-UHFFFAOYSA-N", "SMILES:COc1cc2nc(CNc3nc(N4CCOCC4)nc4c3ncn4-c3cnn(C)c3)[nH]c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXPRVDHTUVMMTP-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVXKAHKGJDUTIP-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3cscn3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURVWZJAXQBDOE-ZDUSSCGKSA-N", "SMILES:Cn1cc(-n2cnc3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCOC[C@@H]4CO)nc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXTAOMRWXAOUKD-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3cncs3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWRYUTPYSORJOG-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3nccs3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNVHFMIKBBAIC-UHFFFAOYSA-N", "SMILES:FC(F)n1cc(-n2cnc3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCOCC4)nc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVTYTNXXRWZBHG-UHFFFAOYSA-N", "SMILES:Cn1cc(-n2cnc3c(NCc4nc5cc(F)c(F)cc5[nH]4)nc(N4CCOCC4)nc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEBMEQPREMCWOL-UHFFFAOYSA-N", "SMILES:Fc1cccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLDJPVEBVIXNB-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(N2CCCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSXEQRHMMRKHR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cccc(Cc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZTFCZIHZKMPBP-FQEVSTJZSA-N", "SMILES:O=C(N[C@H]1CCOC1)c1cccc2c1CCN2c1cccc(Cc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCADRYQYJBDKRE-IBGZPJMESA-N", "SMILES:O=C(N[C@H]1CCOC1)c1cccc2c1CCN2c1ccnc(Cc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGZBPDDKSMQLB-FQEVSTJZSA-N", "SMILES:O=C(N[C@H]1CCOC1)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLVEHUGZNSRBB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZAUTROHLJDGN-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1ccnc(Cc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXSYSJCISASGTC-FQEVSTJZSA-N", "SMILES:O=C(N[C@H]1CCOC1)c1cccc2c1CCN2c1cncc(Cc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEWIYNJTSFAXSH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cncc(Cc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQLPVXXSARBTO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc2c1CCN2c1cncc(Cc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFUAOYTSVSQOT-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cncc(Cc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMFACUQHPBZUMK-FQEVSTJZSA-N", "SMILES:O=C(N[C@H]1CCOC1)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)c[n+]([O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFUKCGRDYFOFJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)c[n+]([O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRXWIGLEVDPJT-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWVCCTJOMKIMJH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBJWCTAEEGRBFM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRJAZJUPIXWYMM-UHFFFAOYSA-N", "SMILES:Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(N2CCc3c(C(N)=O)cccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLPLVUASRIZRL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQMRIBKBYNIJK-FQEVSTJZSA-N", "SMILES:O=C(N[C@H]1CCOC1)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWBVTAEURBWHZ-UHFFFAOYSA-N", "SMILES:N#CCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZPRKXAUCQPXJS-LJQANCHMSA-N", "SMILES:O=C(NC[C@@H](O)CO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZPRKXAUCQPXJS-IBGZPJMESA-N", "SMILES:O=C(NC[C@H](O)CO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKRCELRSYTFCJ-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Oc2cc(F)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPUADCPRQFOPK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Oc2cc(F)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYNICGCXVBRJSN-UHFFFAOYSA-N", "SMILES:O=C(NCCCO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMHHGQELWDGCF-MRXNPFEDSA-N", "SMILES:C[C@@H](O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWJBXIKXZYICKF-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLTYSMZWKGVQT-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGSRKVUXFBSIT-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Sc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMUSYXBTACBOMA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Sc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMOPXOQPJITSW-IBGZPJMESA-N", "SMILES:O=C(NC[C@H](O)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMOPXOQPJITSW-LJQANCHMSA-N", "SMILES:O=C(NC[C@@H](O)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXWDKLXQVFLCQG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQOEJIXBACLQG-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCJCVHNCRILOE-UHFFFAOYSA-N", "SMILES:O=C(NC(CO)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTVLLFLSNSYIOZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVJIOWJZZGNAEZ-UHFFFAOYSA-N", "SMILES:O=C(NC(CO)CO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEKCFUKIHBDJA-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cncc(Cc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKYRYMTSCEWML-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cncc(Cc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSTZLSZSLAMBRG-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHVINMFNBHYPE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRTUXLLXCUHZKL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBELHUDGIBUVHF-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYIUAOASGQAROK-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHKNQGIZCTGNU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMGNILDGHBXLA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cncc(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIOUIHSMUHGAMH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cncc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUTQKLHFMCUBJP-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cncc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQSOUYSVWOBDRL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cnc(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUIVVONUKLDFID-UHFFFAOYSA-N", "SMILES:Cc1cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cnc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSOHWNOCRLZBHG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccnc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYPLWIDQXQVOX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cnc(F)c(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCPOQRDHOBHRO-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2cccc3c2CCN3c2cc(Cc3cccc(C(F)(F)F)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUPKILJKQGEPS-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSWSTXQYADRRG-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDBPKQVHLKIDL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWZCYQACBUPQGT-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(Cl)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPRNFGCZOMUDZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGLUKPLRVBADIM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STIKDJZRQDGKKL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXLWEPBKWVERP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSQVYPUGHVOYCL-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRJTSQQQIJOHC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(CO)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHDHCSUBELIVSG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(OC(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GARYMSWPOJCPJQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBXOCGPFZUBNRE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOBXAZNDRLPZSA-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVRLQGJOQFPKMH-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIVUXWAPZKPWDW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(=O)NCCO)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLMLXMJHTKZVCU-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOLVTRLSLEWHO-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBBLKHTBPOEES-UHFFFAOYSA-N", "SMILES:COc1ncc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFBSGGZHIDMLBC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cnc(Cl)nc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVRXMCSNVXDSGQ-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2ccnc(N3CCc4c(C(=O)NCCO)cccc43)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCXYPTQUJWIPLF-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSXSTCXDNOYRR-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJEYLENYRNATIN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(Cc2ccnc(N3CCc4c(C(=O)NCCO)cccc43)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCOWIKWIGBTHDJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBMZKYJFOTHLV-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CCO)CC1)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHQOMWVVXIDAQA-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(Cc2ccnc(N3CCc4c(C(=O)NC5CCN(CCO)CC5)cccc43)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRRHNIMFMADSHC-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDYHVJWVMNDRP-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELNCPBEBSQOLH-UHFFFAOYSA-N", "SMILES:COc1ncc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBGSYCSSOMGEY-UHFFFAOYSA-N", "SMILES:COc1ncc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGBZGUKHTZEXAE-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQWPXLJMIQYRI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVVVXEOAJOAKLN-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(CO)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWZARGVMUVFPRU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJMNFYIDBHOSMJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CCO)CC1)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPSGXHMYVSOPY-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CCO)CC1)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWWGZLCVAFBLF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(=O)NC5CCN(CCO)CC5)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQCELFTHPDMIP-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXMIOQMXZVFRSI-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CCO)CC1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRNEVZVWAWLGH-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOCC1)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQPBOWAKDEJBR-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZEAZJLRARJHBS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)OCCCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXPUTASUMFXFI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(O)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNQPYVWPGYGLH-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPGBWLXMSTJBR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIMXPVIHDVCFSD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APMFDVMFLIUXJM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)OCO3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIYAYBPEQMEOMW-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHJXXSCSKCYIZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccco2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXAOQLHTYLNTCI-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1Cc1ccnc(N2CCc3c(C(N)=O)cccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMYVAIJIUUWLU-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccoc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYMUMFNDVNYFZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOZNOXDELWESG-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPBIWJUJMAPADA-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1c(F)ccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILBVDYHWVYJNK-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CCO)CC1)c1c(F)ccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNJNKILMVGQMTK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZYGODQGFVRJB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cnc3ccccc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMUPXFLKLQXNZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cccc3ncccc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHUIVNHUDJUUNW-UHFFFAOYSA-N", "SMILES:O=C(NC(CO)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZTYARVASTUYKD-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(O)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPLMVVYSJAJON-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQPZERKGHQLON-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDDTUHWJFLYTG-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cccc3c2CCN3c2cc(Cc3cc(F)c(F)c(F)c3)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDPLYHOQTHNEDC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(CCO)c1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZAZMRPUWPKNU-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cc3ccccc3o2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHQHHCQSIHRYHH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1CCN2c1cc(Cc2cccc3[nH]ccc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYXFSDQRRRBOI-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNHHADIXCMEBS-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTABLRJQUMEWEX-MRXNPFEDSA-N", "SMILES:O=C(NC[C@@H](O)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTABLRJQUMEWEX-INIZCTEOSA-N", "SMILES:O=C(NC[C@H](O)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBSHYXKUZYRLZ-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)c1ccccn1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTCXDODJXXURJ-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)c1cccnc1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILQHRHJSOYEPKQ-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)c1ccncc1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZRWRGIOAVBLC-UHFFFAOYSA-N", "SMILES:O=C1CCC(NC(=O)c2cccc3c2CCN3c2cc(Cc3cc(F)c(F)c(F)c3)ccn2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDZYPZCKVMBVSN-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZJTFDXJNCVEL-UHFFFAOYSA-N", "SMILES:COCC(O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOYVWDHCSCDTRH-UHFFFAOYSA-N", "SMILES:COCC(COC)NC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRALITKOGWCXRQ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCKWJSMLCAQER-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCNC1=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFKIQMUUYHDKCS-LHSJRXKWSA-N", "SMILES:C[C@H](O)[C@@H](CO)NC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYUNSADSRXNLFT-HXUWFJFHSA-N", "SMILES:O=C(N[C@@H]1CCOC1=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYUNSADSRXNLFT-FQEVSTJZSA-N", "SMILES:O=C(N[C@H]1CCOC1=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZJTFDXJNCVEL-QGZVFWFLSA-N", "SMILES:COC[C@H](O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZJTFDXJNCVEL-KRWDZBQOSA-N", "SMILES:COC[C@@H](O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSPZFSFFDGEHII-UHFFFAOYSA-N", "SMILES:O=C(NCCn1ccnc1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZRGRCCXQGZPB-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMCJLAGUAVMRMS-UHFFFAOYSA-N", "SMILES:O=C(NC(CO)CO)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTOWFWRMDRNHJD-OAHLLOKOSA-N", "SMILES:O=C(NC[C@@H](O)CO)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYHQLXUKDXNAN-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)Cc1cccnc1)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEXLFJSLMKLPTO-MRXNPFEDSA-N", "SMILES:COC[C@H](O)CNC(=O)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIKBKULARQOYGP-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNC(=O)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHUNTMIKALHQS-LJQANCHMSA-N", "SMILES:O=C(N[C@@H]1CCNC1=O)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHUNTMIKALHQS-IBGZPJMESA-N", "SMILES:O=C(N[C@H]1CCNC1=O)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTCXDODJXXURJ-VWLOTQADSA-N", "SMILES:O=C(NC[C@H](O)c1cccnc1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTCXDODJXXURJ-RUZDIDTESA-N", "SMILES:O=C(NC[C@@H](O)c1cccnc1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEXLFJSLMKLPTO-INIZCTEOSA-N", "SMILES:COC[C@@H](O)CNC(=O)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMVZHJOFXEFAT-HXUWFJFHSA-N", "SMILES:O=C(N[C@@H]1CCNC1=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMVZHJOFXEFAT-FQEVSTJZSA-N", "SMILES:O=C(N[C@H]1CCNC1=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKBXKDFIKUZQNT-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cnc[nH]1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMCAXWEXUXVHJ-UHFFFAOYSA-N", "SMILES:O=C(NCC1(CO)COC1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPDPYMCLKPMQAW-UHFFFAOYSA-N", "SMILES:O=C(NCC1(CO)COC1)c1c(F)ccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXKUDAQFHLHSTB-IBGZPJMESA-N", "SMILES:COC[C@@H](O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(OC)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGUJOWUXIZPSG-NRFANRHFSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(=O)N[C@H]5CCNC5=O)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEYLNLWBCKFUSZ-UHFFFAOYSA-N", "SMILES:CN(C)CC(O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLSPICOSXUWCHB-UHFFFAOYSA-N", "SMILES:O=C(NCCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKCXAYMQCMUKK-FQEVSTJZSA-N", "SMILES:O=C(NC[C@H](O)C(F)(F)F)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXILGLMBKRQBP-UHFFFAOYSA-N", "SMILES:O=C(NCCF)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJXBRIHJYWKJEG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NCCO)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOKLRYAHZDWCQE-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NCCF)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDANXQXFBSKOG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NCCNC(C)=O)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVYDEMTJSCGJC-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CF)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJYZKQVRVCLZNH-MRXNPFEDSA-N", "SMILES:O=C(NC[C@@H](F)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHGMCYVIKOXUOZ-QGZVFWFLSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NC[C@@H](F)CO)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCYWNODOZRDGM-FQEVSTJZSA-N", "SMILES:COC[C@@H](O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZKLCOGRHRBUPQ-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2cccc(C(F)(F)F)c2)ccnc1N1CCc2c(C(=O)NCCO)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSREYMOGFGYNZ-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CF)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCYIMXKJOIXFNK-NRFANRHFSA-N", "SMILES:O=C(N[C@H]1CCNC1=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMNSUKWDPBRAA-UHFFFAOYSA-N", "SMILES:CNC(=O)CCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLSHHSZKGRQXQP-LJQANCHMSA-N", "SMILES:O=C(NC[C@@H](F)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJRYZPHNCDOEMS-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQNQVHLSBZMTDK-QFIPXVFZSA-N", "SMILES:O=C(N[C@H]1CCNC1=O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMESTURVACZHII-HXUWFJFHSA-N", "SMILES:O=C(NC[C@@H](F)CO)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHMXOAIPPDOLW-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)CF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQGMPAUHWCTYPZ-NRFANRHFSA-N", "SMILES:COC[C@@H](F)CNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEPZBDMAVFVQDK-CQSZACIVSA-N", "SMILES:C[C@@H](O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEPZBDMAVFVQDK-AWEZNQCLSA-N", "SMILES:C[C@H](O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJYZKQVRVCLZNH-INIZCTEOSA-N", "SMILES:O=C(NC[C@H](F)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMESTURVACZHII-FQEVSTJZSA-N", "SMILES:O=C(NC[C@H](F)CO)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVYDEMTJSCGJC-MRXNPFEDSA-N", "SMILES:O=C(NC[C@H](O)CF)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAVJVWJYEPNXCJ-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1ccnc(Cc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPKWULYTQRTOSE-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQOPHJPDZGQQLK-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMTKPUNODDCPEA-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1ccnc(Cc2cc(F)cc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBQVSWUVIXQKV-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc2c1CCN2c1ccnc(Cc2ccc(F)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCSZLZXLIJTQA-SFHVURJKSA-N", "SMILES:COC[C@@H](O)CNC(=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEGPKAGLIOYPU-UHFFFAOYSA-N", "SMILES:O=C(NCCF)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCSZLZXLIJTQA-GOSISDBHSA-N", "SMILES:COC[C@H](O)CNC(=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYJCEVTHPPPKV-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CF)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVHKLCHCJQBLF-OAHLLOKOSA-N", "SMILES:O=C(NC[C@@H](F)CO)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZOSDYGJUIBTGI-NRFANRHFSA-N", "SMILES:O=C(N[C@H]1CCNC1=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOQRVBCETURIO-CQSZACIVSA-N", "SMILES:C[C@@H](O)CNC(=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOQRVBCETURIO-AWEZNQCLSA-N", "SMILES:C[C@H](O)CNC(=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVRQCKICQAQFI-IBGZPJMESA-N", "SMILES:COc1ccc(Cc2cc(N3CCc4c(C(=O)NC[C@@H](O)CF)cccc43)ccn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVRQCKICQAQFI-LJQANCHMSA-N", "SMILES:COc1ccc(Cc2cc(N3CCc4c(C(=O)NC[C@H](O)CF)cccc43)ccn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXIVUDDNQRTCC-HXUWFJFHSA-N", "SMILES:O=C(NC[C@H](O)CF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXIVUDDNQRTCC-FQEVSTJZSA-N", "SMILES:O=C(NC[C@@H](O)CF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVYDEMTJSCGJC-INIZCTEOSA-N", "SMILES:O=C(NC[C@@H](O)CF)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYIBAEDGOXQWEN-GOSISDBHSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(=O)NC[C@@H](F)CO)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWPERBCYOOPLF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(=O)NCCF)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDNFUAXIAZQHE-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(=O)NCC5(CO)COC5)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTXCBDXXRXXOO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccnc(N3CCc4c(C(=O)NCCOCCO)cccc43)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFITLSVQQINKZ-UHFFFAOYSA-N", "SMILES:O=C(NCCOCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTFIFCCYOLGUGL-UHFFFAOYSA-N", "SMILES:O=C(NCCOCCO)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORYLKWNYSUECTF-UHFFFAOYSA-N", "SMILES:O=C(NCCF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDSVNGBIWOUMP-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1ccc(CCNc2ncnc3ccc(C#N)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDFWKUATBSUQX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2ncnc(NCCc3ccc(C(=O)N4CCOCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBKZFZYAFZYTFY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2ncnc(NCCc3ccc(C(=O)N4CCCCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSAOBXYBYKPOO-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(CCNc3ncnc4ccc(C#N)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AACMTGFJUPSOMN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2ncnc(NCCc3ccc(C(=O)N4CCC(N)C4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRZTYGHELIRIH-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1ccc(CCNc2ncnc3ccc(C#N)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPYROLQIGKYOP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(CCNc2ncnc3ccc(C#N)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWISQLEDZAXKH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(CCNc2ncnc3ccc(C#N)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSSYZKAZZDYQJE-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cc(CNc3ncnc4ccc(C#N)cc34)ccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZSJFVVSGBHEX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2ncnc(NCc3ccc(Cl)c(C(=O)N4CCOCC4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKNXRLEIIIMFO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2ncnc(NCCc3ccc4cc(C(=O)N5CCOCC5)ccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKCMCDEDISPSK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2ncnc(NCCc3ccc4ccc(C(=O)N5CCOCC5)cc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDUSFDWGKIHLEG-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc3ccc(CCNc4ncnc5ccc(C#N)cc45)cc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCLQQAYCYFRURM-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(Br)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKJBFGDYRAYPAQ-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(ccc3ccncc32)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVMFLWJXJVKFG-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(Cl)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDJJLDFYYPOPGJ-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(Nc1cccc(Cl)c1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINJQOKCPFZVSI-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(Nc1ccc(Cl)cc1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLFOOFIJASFBTJ-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(-c1ccc(Cl)cc1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCPMFLPUUGMKP-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(-c1cccnc1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOMMJWNYRPMBD-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(-c1ccncc1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCGWSRINBVKLE-UHFFFAOYSA-M", "SMILES:Cc1cc2cc(C(=O)[O-])ccc2c2cnccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDHHAHBDZWAHAH-UHFFFAOYSA-M", "SMILES:Nc1ccc(-c2cc3cc(C(=O)[O-])ccc3c3cnccc23)cn1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXXGEDMTTUKGY-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(-c1cc[nH]n1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJBDOIMHHXXOS-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(NC1CCCCC1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDYPNLAUCVXSFG-CQSZACIVSA-N", "SMILES:O=C(O)c1ccc2c(c1)cc(N[C@@H]1CCCNC1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIQVUSQPJFWDL-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(NC1CCCC1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUBUBRFJNWBTD-UHFFFAOYSA-M", "SMILES:CCC(C)Nc1cc2cc(C(=O)[O-])ccc2c2cnccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFVFWOQTFHTAT-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(NC1CC1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQYQGWMSECHGOA-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(NC1CCC1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJICRNXZCAQXPT-NSHDSACASA-N", "SMILES:CC[C@H](C)Nc1cc2cc(C(=O)O)ccc2c2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYZNGMKACSMTR-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(N1CCCCC1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFGGWHCDBKGDGX-UHFFFAOYSA-M", "SMILES:CC(C)Nc1cc2cc(C(=O)[O-])ccc2c2cnccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUBUBRFJNWBTD-RFVHGSKJSA-M", "SMILES:CC[C@@H](C)Nc1cc2cc(C(=O)[O-])ccc2c2cnccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMHJWYGPCJEMAE-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(Br)c1ccnc(Cl)c12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAMTELLVUVYFU-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(ccc3ccnc(Cl)c32)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJAFFAKPJMFJKF-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc([N+](=O)[O-])c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSSSWKQBHDKBQ-UHFFFAOYSA-M", "SMILES:N#Cc1cc2cc(C(=O)[O-])ccc2c2cnccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSJTZNIWJPKGQS-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(C1CC1)c1ccncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEXEOIKPFUFSE-UHFFFAOYSA-M", "SMILES:Nc1nccc2c(Br)cc3cc(C(=O)[O-])ccc3c12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQJGKICFSAXIR-UHFFFAOYSA-M", "SMILES:CN(C)c1nccc2c(Br)cc3cc(C(=O)[O-])ccc3c12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYLYMXWQZDACAE-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(Br)c1ccnc(NC3CC3)c12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRHIOCIKDYDRAO-UHFFFAOYSA-M", "SMILES:CNc1nccc2c(Br)cc3cc(C(=O)[O-])ccc3c12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHHWUWXPWKJQHC-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)cc(Br)c1ccnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFAWNXACDURHP-UHFFFAOYSA-M", "SMILES:COc1nccc2c(Br)cc3cc(C(=O)[O-])ccc3c12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHJOZADNBMHKY-UHFFFAOYSA-M", "SMILES:Nc1nccc2cc(Br)c3cc(C(=O)[O-])ccc3c12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJUHYPZQYFZCM-CQSZACIVSA-N", "SMILES:N[C@@H]1CCCN(c2cc3cc(C(=O)O)ccc3c3cnccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSDIYGDATFEDLQ-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc2c(c1)cc(Br)c1cc(Cl)ncc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSJIZBYRZVTNK-OVPJFHAQSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZGBAANRHMTUSN-OVPJFHAQSA-N", "SMILES:CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC1=O"]}
{"name": "Frizzled-1", "xref": ["CHEMBL.TARGET:CHEMBL4879454"], "id": "UniProtKB:Q08463", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Frizzled-2", "xref": ["CHEMBL.TARGET:CHEMBL4879455"], "id": "UniProtKB:Q08464", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCYNTHUGFJBOCF-FLCPTSODSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHVCHMUTITNOT-XFTXAWHPSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O"]}
{"name": "Frizzled-1", "xref": ["CHEMBL.TARGET:CHEMBL4879419"], "id": "UniProtKB:O70421", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Frizzled-2", "xref": ["CHEMBL.TARGET:CHEMBL4879521"], "id": "UniProtKB:Q9JIP6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKKILQPMPADJHL-HVTYDFGTSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZFXRPSPAKOSAS-YHSUZAANSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEHAULBGASTXOH-WRUREBDJSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCJZYQBHBXJFNC-HVTYDFGTSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYAOVMIBIKKBTC-KXLQNPBHSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPAKVAZJCHGUKN-XZFFDMQFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEZQSJJPRNIHA-UPWFYEOCSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNAUURVMTNSCAU-YHSUZAANSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCSVSQHUIBFWHU-XZFFDMQFSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYYTHGOLMWAHE-HVTYDFGTSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZKMNYZJCFCLQR-KXLQNPBHSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTPNLQTPNBRMZ-WRUREBDJSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPLRLHFXPBGPH-DGDGWKJJSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSTAEXNLEWLBBN-SJMQCZQPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZASGMCXBBNAQLB-SPGSVKGFSA-N", "SMILES:CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCGVKUNPJHYYTC-UHFFFAOYSA-N", "SMILES:CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1"]}
{"name": "Probable G-protein coupled receptor 174", "xref": ["CHEMBL.TARGET:CHEMBL3813587"], "id": "UniProtKB:Q3U507", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUHNTDUHARQPW-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1"]}
{"name": "Probable G-protein coupled receptor 174", "xref": ["CHEMBL.TARGET:CHEMBL3562167"], "id": "UniProtKB:Q9BXC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHRUPLYFOKRTAO-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKUCHCWWBHQIN-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUCTDNBHPANBH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEJHKDNYFOCALT-UHFFFAOYSA-N", "SMILES:CC1CCN(c2cc(N3CCN(C(=O)c4cccs4)CC3)c([N+](=O)[O-])cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIABAQLPQXTPW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZIDRKCIJBWGRO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZVKXZUNBYXNG-UHFFFAOYSA-N", "SMILES:Cc1cc(Cc2ccc(NC(=O)c3cccs3)c(C)c2)ccc1NC(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSZIRGDKVNMQC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBFOSWDNFUUHSD-UHFFFAOYSA-N", "SMILES:C=C(C)COc1ccc(NC(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1958251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBMCOYHOYXSRDF-LZYBPNLTSA-N", "SMILES:O=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERCDAOBUZPTJL-FRKPEAEDSA-N", "SMILES:Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)c(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJOYBLUYUYVKF-UHFFFAOYSA-N", "SMILES:CCCC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQDHRPJHKREUEB-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJZWDOOGCYVHS-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFFUOYDTULCKV-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEUSTMWWNNONL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQLXOJYAVLMSA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCC(C)CC4)c(F)cc3[N+](=O)[O-])CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGPRJBBUKHKCL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)c(F)cc3[N+](=O)[O-])CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWQVJYBPEORIEO-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCN(c2cc(N3CCCCC3C)c(F)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORFJDMKAFTESZ-UHFFFAOYSA-N", "SMILES:CC1CCCCN1c1cc(N2CCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALWBYSJSZFQOD-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(c2cc(N3CCCCC3C)c(F)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNRJMCFONYURHR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNXUGYYMOXRQF-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1cccc(O)c1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVDPHQDWHIDHC-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccccc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVGSOFWHKUKOL-UHFFFAOYSA-N", "SMILES:COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVMMVLYPFSJMT-UHFFFAOYSA-N", "SMILES:CCc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZAOPXCUWDXTQL-UHFFFAOYSA-N", "SMILES:COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTRKESTWQEDCV-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZEBMXLOHDDLKX-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUPRUCRWFKGOB-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FINOZFLXFJGKMG-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZFBDVWZAUUATI-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(OCCO)cc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PARMOTWQBREHKY-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)c3ccccc34)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFLIOKJTSVBDDC-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(F)cc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKOPDGCMATXRPW-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc3c(c1)OCCO3)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKMJOFBKSOJVBX-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1cccnc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEZCPCJFQLUVCA-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNCMKHPBMKAURP-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLYIMWDZXXTPV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBRVUHRHJXZQHE-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NETMGMZZMXIDFJ-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccncc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYSBSTFZRRCUNX-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(N3CCCC3=O)cc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGBCSGFRGPAGGG-UHFFFAOYSA-N", "SMILES:CC(C)(C)Oc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMPMESCCJGWBD-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(OC3CCCC3)cc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXIMUHKBDHMNR-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(OC(F)F)cc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMCSDFNRCHRSFZ-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(Oc3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGGULMILYTQIU-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(OC(F)(F)F)cc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWORRMJPGKNPLW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBFPMSZWSELTG-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBQRABNTWHBBL-UHFFFAOYSA-N", "SMILES:CCOc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPNEKHUXVGGHI-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYJJHWLXCSGMED-UHFFFAOYSA-N", "SMILES:CCc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLODTFUXZFSIW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTODBMTUYFVLJS-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1342819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKHYKZVXCQQVNC-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFAHNQHNCQXGI-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccc(F)c(C(C)(C)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEFHEJYZHSANJF-UHFFFAOYSA-N", "SMILES:CC(C)(F)c1nc(-n2c3nc(Nc4ccc5c(c4)CCNC5)ncc3c(=O)n2C2CC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAKCAWWQCDNRMU-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1ccc(F)c(C(C)(C)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLHJCPCHXONISG-UHFFFAOYSA-N", "SMILES:CC(C)(F)c1nc(-n2c3nc(Nc4ccc5c(c4)CCNC5(C)C)ncc3c(=O)n2C2CC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVIKUEQPEPKOQM-UHFFFAOYSA-N", "SMILES:N#CC1(c2cccc(-n3c4nc(Nc5ccc6c(c5)CNCC6)ncc4c(=O)n3CC(F)(F)F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQGOOJFBPSPIZ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1cccc(C2(C#N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQQPGJQMRMUCFZ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1cccc(C2(C#N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXYMRTHZFJYJIV-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4(C)C)nc2n1-c1cccc(C2(C#N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWMPVUWPRQPSFI-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4(C)C)nc2n1-c1cccc(C2(C#N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWPLOLQFWWGORV-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC43CC3)nc2n1-c1cccc(C2(C#N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZFYZYRTXCLOS-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1cccc(C2(C#N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBYGHAUCNWHBNK-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1cccc(C2(C#N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULLQYJJZNPEMPB-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4(C)C)nc2n1-c1cccc(C2(C#N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPPSQZUAYRQHY-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4(C)C)nc2n1-c1ccnc(C2(C#N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGRKRGZSMQIVGI-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccnc(C2(C#N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVRLUSKQZXJUMY-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1cccc(C2(CF)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZBCQHSXYNGSD-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1cccc(C2(CF)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYUDOFZRNHIBV-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1ccc(F)c(C(C)(C)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOPURAIBHTWXCN-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccc(F)c(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDBFFMSHMOUEC-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1ccc(F)c(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZKNHCZWDVCSMB-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4(C)C)nc2n1-c1ccc(F)c(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIZQJYGCAAKQB-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC43CC3)nc2n1-c1ccc(F)c(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMIHCNZYCTFNP-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1ccc(F)c(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQDZZRLSULZVAG-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1ccc(F)c(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVFDBKZDKMXJEX-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1nc(C(C)(C)C#N)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLXOCAFBLQQZKS-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1nc(C(C)(C)C#N)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQKLRBJREIZKEM-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4(C)C)nc2n1-c1nc(C(C)(C)C#N)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVFORASMUUZGJJ-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1nc(C(C)(C)C)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLISOYBFTLKCBT-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1csc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEKNMNDUPCROU-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1csc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKEGIFUZFBNQGN-UHFFFAOYSA-N", "SMILES:S=C(NCc1ccco1)Nc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTDYGXLLYTXFY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(F)c(N2CCCCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFAAYDFVQROIHK-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccc(O)cc2)nc2nc(C3=CCCO3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLNUUWCOAPJED-ZROIWOOFSA-N", "SMILES:CC1=C(C#N)C(O)=NC(=O)/C1=C\\c1ccc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHTXHRSNMNSQEH-UHFFFAOYSA-N", "SMILES:Nc1nc2c(c(=O)[nH]1)C(c1ccccc1)C1=C(N2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSGBNZVDWHFDO-KRWDZBQOSA-N", "SMILES:CN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1c1nc3c(s1)C(=O)NC(C)(C)C3)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBPXWEPKNBHKAX-NSHDSACASA-N", "SMILES:Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2089106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVHYTKYLAMCJQ-UHFFFAOYSA-N", "SMILES:Cc1c(Cn2c(C)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEHHEDJQRHQOOW-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)ccnc3C)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYMHVNNHIASECU-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3ncccc3C)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCBSHLEWGZVON-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(Br)ccnc3C)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZEWBPGVTYPITP-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cncc3Cl)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTRHXDLGBINMNM-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cncc3C)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMTZLHADUFDDDN-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3cccnc3C)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDJAOQUTMBBQB-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)csc3Cl)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHZLVWJMDYRBG-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)nn(C)c3C)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRITECWUGVGTD-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)noc3C)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INSVCYRFDCTMIA-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)ccnc3C)s2)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNEDDGRJWXWDNZ-UHFFFAOYSA-N", "SMILES:Cc1nc(NCCO)cc(Nc2ncc(C(=O)Nc3c(Cl)ccnc3C)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBHTECACAVQDF-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)NC3CN4CCC3CC4)s2)cc(NN2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLZGLXSANQWFT-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)ccnc3C)s2)cc(NN2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJYZTZQMRSSEU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)csc4Cl)s3)nc(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZKXFCZKLBBRG-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)csc3Cl)s2)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJTVQJCYWTEFT-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)csc3C)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTSNWGOMSEBTG-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)csc3Cl)s2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMUGSAQSSLQGX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)n(CCN(C)C)c3-c3ccc(F)cc3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDOZAEJOEQUVJX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)[nH]c3-c3ccc(F)cc3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKDBIDWPRDZSFA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)oc3-c3ccc(F)cc3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPIZXOMYHSHJA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)(=O)=O)sc3-c3ccc(F)cc3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSBWAGCUKRTSW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3n[nH]nc3-c3ccc(F)cc3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXWOHUGVMXQDJV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(C(F)(F)F)sc3-c3ccc(F)cc3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZPXWPFUXGQRD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(NC)sc3-c3ccc(F)cc3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKAXFYVYYCUZJW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)oc3-c3ccc(F)cc3)cc2F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNDXTVFYBRFIJ-UHFFFAOYSA-N", "SMILES:CSc1nc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3Br)cc2)c(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHFMOKNIKROPC-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)c1"]}
{"name": "Mas-related G-protein coupled receptor member X4", "xref": ["CHEMBL.TARGET:CHEMBL4523430"], "id": "UniProtKB:Q96LA9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPQOVHDYMGIMI-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIIINWPOJQTSBO-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2ccc(C#N)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQJKJYCUMFUIFJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPGMTZLSJWHOJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2ccc(OC(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTVBBKGCUNDOW-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2ccc(N3CCOCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAGPPKBHOWTHDZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cncc(COc2ccc(Cl)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKJQYVQDYOZPFH-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODSKFGHFQEEDW-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRCCTZORIZQGTJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACZABWBNHLOKOC-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2ccc(Cl)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZICZLQDUKGIOO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(COc2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHURYBMCZBBJNS-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHHWMTMFPGAZQM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)ccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVUARZXMXUBPBN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXHNPUIIITVOQE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVZMWRUIYNDPCB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cc(Cl)ccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMRCVEFBDPOBEK-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)ccc1OCc1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4873423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKCKBQDCXPSQE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCITWWJACLOAOI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1500515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMPMYSNFPYXIY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(COc2ccc(Cl)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVVNHXIUCXIMGC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XADPXIHQQNNXFK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIMFVJWYNALKY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRBXPEMNWYLEBF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXQXPHORPQOMB-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cl)cc2Cl)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVZNVCVTFLCTE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc3c2CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBAXUKRKGAGKTK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMYGSVBKXQZBO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGYAYVVXSSTEK-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCc1cccc(C(=O)O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1402510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHJJPQRLFFDDTQ-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMOMCGDLRGTKJD-UHFFFAOYSA-N", "SMILES:COc1cccc(OCc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOOMHCZTBDSEB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXRVPNVHIOZAKC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHJBOGOTGFPJL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(COc2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUJVPIGXKXYTF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(COc2ccc(Cl)cc2Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1587117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQKJOHPFSRRCND-UHFFFAOYSA-N", "SMILES:CCOc1ccc(OCc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQRRWIRLPIVQRS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMBBXBPIJFPAPZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(OC(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1404550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNEWINHTWSXKJK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWOCTGPYZQSQM-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc(Cl)c1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZPNIXRXGFEDPO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)ccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVYFRVGVJACCY-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cccc(C(=O)O)c2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWOXPNAILYKJPT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPEALDXYZUXRGR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJGPFLJSQSGQS-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1OCc1cccc(C(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRBSLMBYGTOAA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3ccccc3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZXSYFFTUOOCBN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNULPYNXQVTOBY-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2cccc(C(=O)O)c2)c(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDAMOWOTELKNIS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3c(c2)OC(F)(F)O3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBNPVHJJFSKDV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLLRBIWAAONNO-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1OCc1cccc(C(=O)O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUMGXKXAQOMPST-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQNJLCJGCKOFD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHOCREPGQJMATH-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(C(=O)O)c2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMEULVFCDUSBFS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCc2cccc(C(=O)O)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBKQVOINZWJPNW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc(-c3ccc(F)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFEARZPNCCGVBP-UHFFFAOYSA-N", "SMILES:N#Cc1cc(OCc2cccc(C(=O)O)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBDYLAAORNZBK-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(F)cc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUOTPNZRPEKCX-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cccc(C(=O)O)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPNSWYFJIBFBI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMMIJGUNKOVQG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc(Cl)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRXQNPILAOYPX-UHFFFAOYSA-N", "SMILES:N#Cc1c(Cl)cccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGQJZGTYNOIFLD-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2cccc(C(=O)O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWVVXJGGTAVJTR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)c(Cl)c2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMUINVMKGUAQN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc(C(F)(F)F)c2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAQZGIRGQGKQHV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(-n3cccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINSRKQMHRFVHE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)cc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKYCJQVUSKNTPT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(COc2ccc(C(F)(F)F)cc2Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEARWHNZYGICJQ-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTFJRDNQDIZMAV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(COc2ccc(C(F)(F)F)cc2Cl)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJNBIZCLHOSLTO-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(OCc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIWPSCUVFHDNCR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc3c2CCCC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVIOXCHPWOASIA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)(C)C)c(OCc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDXUVZYCXAEYJI-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2cccc(C(=O)O)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRPSKPDFYNGTKO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCc2cccc(C(=O)O)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZAHXBNOKDENW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(F)cc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCTGSKPHNOWVAM-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJFQUIGPQWZZMM-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPADITADQIYFLP-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJZUWLTXWLEIT-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2cccc(C(=O)O)c2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKEAGGFKTUSRPD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3ccsc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZSIBJALNUTBJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3ccncc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTAHZCGVPVIBP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHLQUKEPNAYDV-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)ccc1OCc1cccc(C(=O)O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCKKBPDUWGNKU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCCKZAOHVOLFGT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(OC(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICXMCYRQDFTIZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)(C)C)ccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAHNOGQOOXVFDZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSJFWCQRVFWJCX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOWCKSFTEBGDNX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFELUKIAJDZQSF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(COc2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGXVRSRXRZKBEC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1COc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRBNGORDVGEJX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGYGRIBPTPVHTH-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRXDKYIQWRSINK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIPPSPHKRUGFH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(COc2ccc(OC(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIVWUXOULJIYTB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C3CC3)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTHGYPEVTVUHE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(COc2ccc(Cl)c(Cl)c2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOSWZUTPYOMLE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)c(Cl)c2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBFKQAWRDEQAF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(OC(F)(F)F)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOIXNRQIKFTHLC-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPDDWLCXCWCSN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)ccc1OCc1cccc(C(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISSYSRUFRWRKKT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3ccoc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBPUFOWQZUEIOI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(OC(F)(F)F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOVGEIPWDVMCAH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cc3ccccc3cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJMHDDTSVCZLZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3occc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHICBUNPSYIQGO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(OC(F)(F)F)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPDVBMCRHOQAS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATXYUMGXDFHYLX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3sccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHAKOQHIIVXKJV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(OC(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRQGCSTONHVED-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(F)ccc(COc2ccc(C(F)(F)F)cc2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWNSULJZYOKCP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(COc2ccc(C(F)(F)F)cc2Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADVJJRZKKHMFQQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDCWMFBBKEJBG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccccc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXSCIRNSUNWZFY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc(Br)c2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZXAAGHSPHGAZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGCWXVTRSDLIF-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cccc(C(=O)O)c2)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCGACFFDZQWULK-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2cccc(C(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBDCGGATYUPALK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)c(F)c2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRYDIZIPARCSTJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)c(Cl)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRMNUAMOZRKAMA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(OCc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVXYTHJTPUVVQD-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)c(F)cc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STSFXRYLJQVPDW-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2cccc(C(=O)O)c2)ccc2c1OCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWDGAUWXVSNKB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)cc(COc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSVUCQFXITJDH-UHFFFAOYSA-N", "SMILES:COc1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDKDTNVRKRYGIM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Br)cc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFFAUBFTHDPGV-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2ccc(Cl)c(Cl)c2Cl)nc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXLZDCSGCZRFTL-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(COc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUZBUPDGVWNVJX-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUJPKNZAFHBXIP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc(-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPYAKYXWINEQQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cccc(Cl)c2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKROTSBHFRRBNI-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTWCZUZLWOFTMS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKAPIULKYVOQG-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2cccc(C(=O)O)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCBZCSCPXXCAN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COCc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIHRVJXKJWUGBA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2cc(Cl)cc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYBGBUFHMNRTJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)cc2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNXGGAXTKKVYMO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)c(COc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDKOFJDJSZQILT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(COc2ccc(Cl)cc2Cl)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYCUFCNGQBOBR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(COc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVHVBXCZZOBURL-UHFFFAOYSA-N", "SMILES:COc1cc(COc2ccc(Cl)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKOFENSHCCNITA-UHFFFAOYSA-N", "SMILES:N#Cc1c(COc2ccc(Cl)cc2Cl)cccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABKFTMQYSKSHR-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2ccc(Cl)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPQDNPTUWXVHI-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(Cl)cc2Cl)cccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJZJBHLVIVZZLF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(Cl)cc2Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEZJRCWWSLRIID-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DETLVKOXLCNRCJ-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2ccc(C(F)(F)F)cc2C)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJAMLCWCQIGFEM-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2ccc3ccccc3c2)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNPTYAADNQOFOQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(OC(F)(F)F)cc2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKSBYDIISKREG-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2ccc(OC(F)(F)F)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCXUQLAUUAZNE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)c(Cl)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDIFNUWLUDBIX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(COc2ccc(C(F)(F)F)c(Cl)c2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXIUACFNMKSTD-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2ccc(C(F)(F)F)c(Cl)c2)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KINHXPWGYKBIQA-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(COc2ccc(C(F)(F)F)cc2Cl)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQOIHKKNOVWCT-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(COc2ccc(C(F)(F)F)c(Cl)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLXVZQUKZWHMF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYQSWCQSMBJKRG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3ccccc3c2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIYELFNTWDMDX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3sccc3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNDIWKDHZAPAX-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCCC2)ccc1OCc1cccc(C(=O)O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPTXMCPTDXWPLW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(N3CCCC3)cc2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLUIXRFOWAIQS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(-n3cccc3)cc2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXIOSIZOVNAQY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc3sccc3c2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBMKKROKAMLRD-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cccc2)ccc1OCc1cccc(C(=O)O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUMVMBWCFJTFJI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGRCTLDECIRKA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(COc2ccc(Cl)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUZSWBQUQCAFSX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(COc2ccc(Cl)cc2Cl)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFLBQWVCQZRRJ-UHFFFAOYSA-N", "SMILES:COc1c(COc2ccc(Cl)cc2Cl)cccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRAKOSCJYUCETD-UHFFFAOYSA-N", "SMILES:NCc1cccc(COc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLIOVJFLODAYQT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)O)cc1COc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCHSKTVVKEOQD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C2CC2)cc(COc2ccc(C(F)(F)F)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYSUPNWATDOQCJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZZWALQOKPULPK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Br)cc(COc2ccc(C(F)(F)F)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUXMNJNMFNWBAW-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)ccc1OCc1cc(F)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUGGTHGPHVOLW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(COc2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULVMBGZXSVIRH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPKYGYOOABZAF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWYAPAHZZVJYOQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFMWXYRENZUKS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNc2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVBATNLRWQGRP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNc2ccc(C(F)(F)F)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIILFILWHUZHP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBAHAMNEQLXSGD-UHFFFAOYSA-N", "SMILES:OCc1cccc(COc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUMRLRMRBLVOR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Oc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAZAILQAXJQDJV-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMOSECIMBZBHA-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(OCc2cccc(-c3nnn[nH]3)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDBAHGGOABSELF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Cl)ccc1OCc1cccc(-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRSZXZBFHGCPZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(OCc2cccc(-c3nnn[nH]3)c2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTERRDCCXVAZFJ-UHFFFAOYSA-N", "SMILES:c1cc(COc2ccc3ccccc3c2)cc(-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWJRJVMSAILKN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(OCc2cccc(-c3nnn[nH]3)n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKMNMUAZUSPAB-UHFFFAOYSA-N", "SMILES:Fc1ccc(OCc2cccc(-c3nnn[nH]3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGORBYYFHYZOSS-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(OCc2cccc(-c3nnn[nH]3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWVIBFKOADNNR-UHFFFAOYSA-N", "SMILES:Fc1cc(OCc2cccc(-c3nnn[nH]3)c2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMICZYVPPMFPJA-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(OCc2cccc(-c3nnn[nH]3)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJVNDJULGYUJCI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)ccc1OCc1cccc(-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBCUCDGAYSPRM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(OCc2ccc(-c3nnn[nH]3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHEZNWPAOPIEKI-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1OCc1cccc(-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHTWKQWRYQIKP-UHFFFAOYSA-N", "SMILES:Fc1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REODVGGSFXBHMM-UHFFFAOYSA-N", "SMILES:Fc1c(COc2ccc(C(F)(F)F)cc2Cl)cccc1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHQCQHCEHGPFQM-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVXGZHNCFJNKF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOLFGAICWOURJE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)ccc1OCc1cc(C#N)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIJUOWHYTJPTBB-UHFFFAOYSA-N", "SMILES:N#Cc1cc(COc2ccc(Cl)c(Cl)c2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUFUGVWTASWJAR-UHFFFAOYSA-N", "SMILES:N#Cc1cc(COc2ccc(OC(F)(F)F)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKASKIUIPSQSL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(COc2ccc(C(F)(F)F)c(Cl)c2)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPXPCBPBHXITM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUEILOCMXSQKEF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSBDVNAMXHZFAP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)F)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNNFXDOLXJBWHG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHKAZYNKNYDKOA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(COc2ncc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFBOVKOBZMSECN-UHFFFAOYSA-N", "SMILES:C#Cc1cc(C(F)(F)F)ccc1OCc1cccc(C(=O)O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJOEELDHHWCIY-UHFFFAOYSA-N", "SMILES:CCc1c(COc2ccc(C(F)(F)F)cc2Cl)cccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUKLPNQUTRAMFO-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLLSORZTKVBAB-UHFFFAOYSA-N", "SMILES:CCCc1cc(COc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMFZIXMCSWGAH-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAGOSWGQLAOVCV-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2ccc3ccccc3c2)nc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFELMVIOEPJSJX-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVDKYSLVIBSHL-UHFFFAOYSA-N", "SMILES:CCc1cc(COc2ccc3ccccc3c2)nc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REGGUDSPLJFFDM-UHFFFAOYSA-N", "SMILES:CCc1cc(COc2ccc(Cl)c(Cl)c2Cl)nc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHAKUSQBBXQSU-UHFFFAOYSA-N", "SMILES:CCc1cc(COc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTTDXRFDOVLKLZ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(COc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJKFPYWYYYJTTA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(COc3ccc(C(F)(F)F)cc3Cl)cc(C(=O)O)c2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLOEKPMDOHCPT-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIDFZHVOPPCGJR-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(OCc2cccc(-c3nc[nH]n3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFNFFVOJPPLHD-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(OCc2cccc(-c3ncc[nH]3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWMTRLKJXOEFX-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(OCc2cccc(-c3cnc[nH]3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKZLHZOAGUTFA-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(OCc2cccc(-c3cn[nH]n3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDGYDCQAGKHFB-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2cccc(COc3ccc(C(F)(F)F)cc3Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADAJUAOGFYMETI-UHFFFAOYSA-N", "SMILES:FC(F)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESMBUJYQBPRGA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUWWZVKDOZSKH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1)N1CC2(COC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKSMJGIEGAPATI-UHFFFAOYSA-N", "SMILES:O=C(NCS(=O)(=O)O)c1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQGHOVYAYEFMV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1)N1CCC2(COC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJAEAUVRZQGPT-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)O)c1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPWIQYKEQLHJLN-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGEGGNWSQCZNPW-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJCWDQQDGHUTN-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTOWHOCEWCGLV-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJYARYSUCDMAFT-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPLAVIITNNMJR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCRWWPNQWCPEB-UHFFFAOYSA-N", "SMILES:O=C(NCCCO)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCSDDJPYBXCCHY-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLLLZJFHMBIRFZ-UHFFFAOYSA-N", "SMILES:COC1CCN(C(=O)c2cccc(COc3ccc(C(F)(F)F)cc3Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTWGKDPPZDDFL-QAQDUYKDSA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRUTYQFAINTVPW-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWABJCINXRLBKX-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCORKOYHJFWQN-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)N1CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVKSKWVVJPRAZ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC(O)C1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEGJOZNWXLIFNH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCINXCHBCHLSHI-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)N1CCCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBASVCICIIERT-UHFFFAOYSA-N", "SMILES:NC(=O)CNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGMCKRLJCMCTNE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHDGINQSSVFQL-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUCXYKRAXTQGP-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)N1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXSGJKULBBFHGT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJBLDZFXXUVBG-UHFFFAOYSA-N", "SMILES:CNC(=O)CNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXMCXWIKNPHUNV-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQGSEKYJIZLCV-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOJNLTYJHXVAM-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVOWITIVVBKLFV-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCSKHXSRRFHTJO-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJHHZIPCIDRJQR-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFZCAMMPIDZBY-QFIPXVFZSA-N", "SMILES:O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJHHZIPCIDRJQR-SNVBAGLBSA-N", "SMILES:C[C@@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXWNTKHYCCORAS-FQEVSTJZSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZLUOFFHKRKBP-HWPZZCPQSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNERQUMZXIEUHP-AWEZNQCLSA-N", "SMILES:O=C(N[C@@H](CO)C(=O)O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSBUCCZAFLXIHR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)c2cccc(COc3ccc(C(F)(F)F)cc3Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVGLRJPGAVYLDJ-AWEZNQCLSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJECXSZJQAMEEH-KRWDZBQOSA-N", "SMILES:O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCKXCNDHICKZGW-HNNXBMFYSA-N", "SMILES:NC(=O)CC[C@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCQQVXDXRKWMBT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCKNGQJZRNUEAO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWKKVMXCINXIZ-UHFFFAOYSA-N", "SMILES:Cc1cc(CNc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHVMSRIFIKRDO-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(COc3ccc(C(F)(F)F)cc3Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVGQKEYGBLZCFF-UHFFFAOYSA-N", "SMILES:CN1CCc2c(COc3ccc(C(F)(F)F)cc3Cl)cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHCXWMHKFLLUMU-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cccc(COc3ccc(C(F)(F)F)cc3Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDUVMNSAFKVCEC-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C#Cc2ccc(C(F)(F)F)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAIIMOJUGMIGQY-UHFFFAOYSA-N", "SMILES:N#Cc1cc(CCc2ccc(C(F)(F)F)cc2Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REKZKWGODIWXQV-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(C(F)(F)F)cc1Cl)c1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTNDEXVUDBHFL-UHFFFAOYSA-N", "SMILES:CNCc1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDWQCSPCBXORF-UHFFFAOYSA-N", "SMILES:Nc1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLMVXWAHNTPRF-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYMCLVCQZUBCSR-FDMFJMJNSA-N", "SMILES:CCn1nc(C)cc1/C=C/c1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(/C=C/c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASFHRUDONUCFDE-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1CCc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(CCc2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBWVKWVBDFROAI-SNAWJCMRSA-N", "SMILES:COC(=O)CCC(=O)c1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(C(=O)CCC(=O)OC)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAHDADNVANEXQC-NSCUHMNNSA-N", "SMILES:COc1cc(C(N)=O)cc2nc(C(=O)CCC(=O)O)n(C/C=C/Cn3c(C(=O)CCC(=O)O)nc4cc(C(N)=O)cc(OCCCN5CCOCC5)c43)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOIYJPCVTBRQJB-AATRIKPKSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(C(=O)CCC(=O)O)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIYEUBOTPCJNJ-VOTSOKGWSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(C(=O)CCC(=O)OC)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHBRKRIZPHIRT-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C#N)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C#N)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFUSIJOZIKPSU-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncn[nH]3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(-c3ncn[nH]3)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSMWMHBGCZXURC-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncc[nH]3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(-c3ncc[nH]3)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHSGPIYRODXAH-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncn[nH]3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C#N)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGXFEAIMRYJHS-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncc[nH]3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODMKEQAFLTIQQ-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C3=NCCO3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBQZKAZIZWIRZ-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncn[nH]3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIPHUFIKPCNFER-MDZDMXLPSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3nc(C)n[nH]3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIQAJDKMHMIVLT-MDZDMXLPSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3cn(CCOCCOC)nn3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHIRCBYNJLJLBL-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C#N)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHRNULWEZQXNB-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(-c3ncn[nH]3)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGJMXKZYDQAUJC-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(-c3ncc[nH]3)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBOJXYUPGPWHIJ-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncn[nH]3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNYCOQIZNDEMKE-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncn[nH]3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)c3c(c21)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHZRCQCCFERKP-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncn[nH]3)cc(OC)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)c3ccoc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDSPSXUQUINKF-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncn[nH]3)cc(OC)c2n1CCCCn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQWMKKPFXQWFI-QRRGNZNSSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncn[nH]3)cc(OC)c2n1[C@H]1CC[C@@H](n2/c(=N/C(=O)c3cc(C)nn3CC)[nH]c3cc(C(N)=O)cc(OCCCN4CCOCC4)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQWMKKPFXQWFI-YALZGCRRSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(-c3ncn[nH]3)cc(OC)c2n1[C@H]1CC[C@H](n2/c(=N/C(=O)c3cc(C)nn3CC)[nH]c3cc(C(N)=O)cc(OCCCN4CCOCC4)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIZAWGXFXZVVAS-HXUWFJFHSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C(=O)O)ccc2n1C[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCLRHPWFCQIMG-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEBVQIJGIZVRGA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-n2ccnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCCRHIAIBQDPX-PEWBXTNBSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4857723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLFJPRECUROHU-VETOTTHNSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGVJOXJEOKSABQ-JTQBTVDASA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNOHNLMFVXQBG-UNXHKMKHSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNOHNLMFVXQBG-NKXNKCPCSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFKASLNEDKLXRQ-ZISLDXOSSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)(Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANXWEHJLAGUOV-LGAPAYSVSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVNUYNSVZPTSH-LGAPAYSVSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc(-c2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRORJDUSYRNCQE-LGAPAYSVSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1-c1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOIZCAGBRKIWPJ-DUUIKECUSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1Cc2c(ccc3ccccc23)CN(CC(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMETZJNCTFQBLF-HDQFGVSYSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN(CC(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQDMZSFVLWHRX-WQDHEDKLSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQWLTGGKPOTICP-LBFGMRFUSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1Cc2cc(OCc3ccccc3)ccc2C[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTUNGODPWUWHO-PKQMNGDDSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(OCc2ccccc2)c(C2CCCC2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIQZOOOTUDSSF-GSLMAQGVSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cc(C2CCCC2)c(OCc2ccccc2)c(C2CCCC2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAFAQRZARHZWOC-GENUFQOQSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cc(C2CCCC2)c(O)c(C2CCCC2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYXILFXOJHCERF-WQDHEDKLSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc(OCc2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRORAGGJHQQUAR-KLSADNLFSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOWJJBYVFZCKK-ACTIEUSLSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOWJJBYVFZCKK-YXVKBCGGSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNXVMXZNAYSFPF-MRUXQIIPSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMTFEXADGYFGKN-IHGMTAJESA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZKBATMSEGBSAF-USSRGBPDSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNRQRGITNMKWKU-XRYFJGBWSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMRQEFOMAIONS-LSRCTDHMSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXLOKYQKQCFLHK-UDPUCVFISA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccccc2)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULVZEKDGLNMRS-QOONWRCPSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEAPGTJSSQICEG-QOONWRCPSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULVZEKDGLNMRS-GENUFQOQSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTZEPIQTYQYOY-OWAYNNEQSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1Cc2ccccc2C(C)C1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEAFTRZRTKRVPQ-BZUDJUENSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1Cc2ccccc2C(C)(C)C1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMMRLPSWPSDJFS-FKFMCLSGSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQKQLDXZMPCHV-XICQEPNKSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NC(Cc1ccccc1)(Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWNMARLHXMGNP-ZLSHCLCNSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@H](Cc1cc(C2CCCC2)c(O)c(C2CCCC2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNXERNBPXXNLK-WOJGMQOQSA-N", "SMILES:C/C(=N\\Nc1nc2ccccc2n1C)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIEAMWQEMZNEMO-FYJGNVAPSA-N", "SMILES:C/C(=N\\Nc1nc2ccccc2s1)c1cc(OCCN(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDKOFHYSXRTKDE-XQNSMLJCSA-N", "SMILES:C/C(=N\\Nc1nc2ccccc2n1CCN1CCCC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIXWWLJCGSRBH-MFKUBSTISA-N", "SMILES:C/C(=N\\Nc1nc2ccccc2n1CCN1CCC(F)(F)C1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKCUDMVIYHTGCZ-VCHYOVAHSA-N", "SMILES:C/C(=N\\Nc1nc2ccccc2n1C)c1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMNKTXKHLZKHAQ-FYJGNVAPSA-N", "SMILES:C/C(=N\\Nc1nc2ccccc2o1)c1cc(OCCN(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBQOERLZLIPML-XQNSMLJCSA-N", "SMILES:C/C(=N\\Nc1nc2ccccc2n1CCN1CCOCC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKVJAFTUYKOSOR-LICLKQGHSA-N", "SMILES:C/C(=N\\Nc1nc2ccccc2s1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1989044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWEYFUAPWACRTE-RQZCQDPDSA-N", "SMILES:C/C(=N\\Nc1nc2ccccc2s1)c1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909424", "category": ["biolink:ChemicalEntity"], "name": "CORYNOXINE", "xref": ["InChIKey:DAXYUDFNWXHGBE-NRAMRBJXSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1909423", "category": ["biolink:ChemicalEntity"], "name": "CORYNOXINE B", "xref": ["InChIKey:DAXYUDFNWXHGBE-XYEDMTIPSA-N", "SMILES:CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4864537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOQGTUGASFJCR-WGUOAFTMSA-N", "SMILES:CC[C@@H]1CN2CC[C@]3(C(=O)Nc4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4865995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXNRITUKNSFMGJ-AFFTTWQFSA-N", "SMILES:CC[C@@H]1C[N+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXWWTVSMMIIIFZ-UKBVIRROSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(C(=O)Nc4cccc(O)c43)[C@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL60533", "category": ["biolink:ChemicalEntity"], "name": "CORYNANRHEIDINE", "xref": ["InChIKey:NMLUOJBSAYAYEM-QALMDFCDSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4859858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELBFTMXCIIKKX-CYSPOEIOSA-N", "SMILES:CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4848517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZKIGWXPPFMRG-CYSPOEIOSA-N", "SMILES:C=C[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4546925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELBFTMXCIIKKX-MYLQJJOTSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4867267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFKJNZBRQKSTDZ-OKLJIELZSA-N", "SMILES:Nc1nc2cc(O[C@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLNRVOKXAUHYMB-OKLJIELZSA-N", "SMILES:Nc1nc2cc(O[C@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJSGLVCNKYGAA-OKLJIELZSA-N", "SMILES:Nc1nc2cc(O[C@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)ccc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFOGLQFOHVYPCS-IPJNOFJESA-N", "SMILES:Nc1nc2cc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWQYVVDDCLMFV-IPJNOFJESA-N", "SMILES:Nc1nc2cc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWEJAYJJBMNHQE-IPJNOFJESA-N", "SMILES:Nc1nc2cc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)ccc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXRBJOUYPQNPBC-UYIBTEFRSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1O[C@@H]2[C@@H](Oc3ccc4cc(Br)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSUJAZMWFUABKY-UYIBTEFRSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1O[C@@H]2[C@@H](Oc3ccc4cc(Cl)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDEXVWVGLRAPQA-UYIBTEFRSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1O[C@@H]2[C@@H](Oc3ccc4cc(F)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFDOIQYYQBEKE-BNQFTCSMSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1O[C@@H]2[C@H](Cc3ccc4cc(Br)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUFZAAGIXIUNOA-BNQFTCSMSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1O[C@@H]2[C@H](Cc3ccc4cc(Cl)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAMXLPKMJCMAV-BNQFTCSMSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1O[C@@H]2[C@H](Cc3ccc4cc(F)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUFZAAGIXIUNOA-OHLFMSMFSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1O[C@@H]2[C@@H](Cc3ccc4cc(Cl)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIJJNQAUGANHO-JIGHVEHSSA-N", "SMILES:Nc1nc2cc(O[C@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5cncnc53)[C@@H]4O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URRMKEZGOVGAJV-CSFAFAEBSA-N", "SMILES:Nc1nc2cc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(C6CC6)ncnc53)[C@@H]4O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVZMRHOWIQXBFP-RLZGZKAYSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1O[C@@H]2[C@H](Cc3ccc4ccc(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULYIYZUQPCKZDI-BSYOGBIBSA-N", "SMILES:Cc1cc2ccc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCLXDDUKLGFDC-BYYSDGHJSA-N", "SMILES:CNc1ncnc2c1ccn2[C@@H]1O[C@@H]2[C@@H](Oc3ccc4cc(Br)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUYMCCJYCOLZGR-MBHBNJSUSA-N", "SMILES:CNc1ncnc2c1ccn2[C@@H]1O[C@@H]2[C@H](Cc3ccc4cc(Br)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGLSJXQMYHTTB-MBHBNJSUSA-N", "SMILES:Cc1nc(N)c2ccn([C@@H]3O[C@@H]4[C@H](Cc5ccc6cc(Br)c(N)nc6c5)CC[C@]4(O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTALRZJCCAIMV-BDTSUPSPSA-N", "SMILES:Nc1nc2cc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3cc(F)c5c(N)ncnc53)[C@@H]4O)ccc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWRCABYICIVSJ-JQWLKRHMSA-N", "SMILES:Nc1nc2cc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)cc(F)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHMIRBTIAWSKH-LQLWBCBESA-N", "SMILES:Nc1nc2cc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)c(F)cc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHBMWWZOQHSJP-CVXUCQRBSA-N", "SMILES:Nc1nc2cc(C[C@@H]3CC[C@@]4(O)[C@@H]3C[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWWRSSLAMZVII-VCFPWYINSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1C[C@@H]2[C@H](Cc3ccc4cc(Br)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCVYLOEKJISEW-VCFPWYINSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1C[C@@H]2[C@H](Cc3ccc4cc(Cl)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKZPYGYLPGVCZ-VCFPWYINSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1C[C@@H]2[C@H](Cc3ccc4cc(F)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJACGXZJMZOJG-IHTMZYJLSA-N", "SMILES:Nc1nc2cc(C[C@@H]3CC[C@@]4(O)[C@@H]3C[C@@H](n3cc(F)c5c(N)ncnc53)[C@@H]4O)ccc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HILIYWFGCWPGAC-UJXXXPMXSA-N", "SMILES:Cc1cn([C@@H]2C[C@@H]3[C@H](Cc4ccc5cc(F)c(N)nc5c4)CC[C@]3(O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJQPAFXPYGBCF-BKALFXMLSA-N", "SMILES:Cc1nc(N)c2ccn([C@@H]3C[C@@H]4[C@H](Cc5ccc6cc(F)c(N)nc6c5)CC[C@]4(O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRNOFYKKDCQPH-KFDHBNDTSA-N", "SMILES:Nc1nc2cc(C[C@@H]3CC[C@@]4(O)[C@@H]3C[C@@H](n3cc(F)c5c(N)ncnc53)[C@@H]4O)cc(F)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKZPYGYLPGVCZ-RDFICPIJSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1C[C@@H]2[C@@H](Cc3ccc4cc(F)c(N)nc4c3)CC[C@]2(O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVOGOFTJBHEAY-GDLZYMKVSA-N", "SMILES:CC(C)(O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)[C@@]2(OCC1(CO)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVOGOFTJBHEAY-WKALTQHCSA-N", "SMILES:[2H]C([2H])(O)C1(C([2H])([2H])O[C@]2(c3ccc(Cl)cc3)c3ccc(C(C)(C)O)cc3C(=O)N2Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLOCTJJGJPSXJZ-UJIMBEFJSA-N", "SMILES:[2H]C([2H])(O)C1(C([2H])([2H])O[C@]2(c3ccc(Cl)cc3)c3c(F)cc(C(C)(C)O)cc3C(=O)N2Cc2ccc(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVBWGYVVZIZIR-YDPLGPFNSA-N", "SMILES:[2H]C([2H])(O)C1(C([2H])([2H])O[C@]2(c3ccc(Cl)cc3)c3c(F)cc(C(C)(C)O)cc3C(=O)N2Cc2ccc(C#N)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVBWGYVVZIZIR-GDLZYMKVSA-N", "SMILES:CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)[C@@]2(OCC1(CO)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGWUKAFTJACQB-HHHXNRCGSA-N", "SMILES:CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cn1)[C@@]2(OCC1(O)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBHYSMAGWDGTO-MUUNZHRXSA-N", "SMILES:CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cn1)[C@@]2(OCC1(C(N)=O)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIIFSCQSZOCUOU-RUZDIDTESA-N", "SMILES:Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CCc2ccc3c(c2)OC[C@H]3CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INEZQTGZUWAXJQ-LJAQVGFWSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN3CCC4(CCc5ccccc54)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADYYYLTWZYYGNX-BLHZKRCXSA-N", "SMILES:C[C@H](C(=O)O)[C@@H](c1ccc2c(c1)O[C@@H](C1CCN([C@@H](C)c3cc(F)ccc3OC(F)(F)F)CC1)CC2)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297471", "category": ["biolink:ChemicalEntity"], "name": "MK-8666", "xref": ["InChIKey:CODQKEMYZZKQAE-QPVYNBJUSA-N", "SMILES:Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2cc3c(cn2)[C@H]2[C@@H](C3)[C@@H]2C(=O)O)c1"], "synonym": ["Mk-8666", "MK-8666"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHNJSPZPOAYHP-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc2[nH]c(-c3cccc(Cl)c3Cl)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMWTLOVSZGBEY-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGPVQAOKSAQPED-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc2[nH]c(-c3c(Cl)cccc3Cl)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXGMFJSGIRRKKG-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHYYRXRLSUUQJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIAHIOJXVURLFN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1-c1cc2cc(CCC(=O)O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXSOCDIUAORRR-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENQUZKBDKDCRF-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFKKMFKDCIEAA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3cc(CCC(=O)O)ccc3[nH]2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUACKVOZPGGAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(-c2cc3cc(CCC(=O)O)ccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEVDFIZTUJBOQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1cc2cc(CCC(=O)O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGUEKOOSRXUSX-UHFFFAOYSA-N", "SMILES:O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDHQNTDJCJARCQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CCN(C(=O)C(F)(F)F)CC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKOIGZIUGCVBET-UHFFFAOYSA-N", "SMILES:O=P(O)(O)OCc1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCPGGMLIXBHHJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFJQNUAUXQRRY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCGHNGYFEPHTHN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(NC(=O)c3ccccc3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKXITPVHXNVVLM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXPSZIXLUPJLV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(NC(=O)C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYESJPAMTMHSLH-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVPSCWYOKCLCU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMIUXJGHPCQJBZ-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBMKFNCCBSKQL-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSMUEIMVMWLZOZ-UHFFFAOYSA-N", "SMILES:N#CCCc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWFXDVAJDUWINO-UHFFFAOYSA-N", "SMILES:NCCCc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZSULDHAUHAJE-UHFFFAOYSA-N", "SMILES:NCC#Cc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYSSLKKOZDOYSV-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCc1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPMRIGSLXBMGAR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(CCCCO)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNNRHVRVRGGULX-UHFFFAOYSA-N", "SMILES:NC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIONKQSHOKUHZ-UHFFFAOYSA-N", "SMILES:NCC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNAZJCMVKNAJHJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRPTLXQOCJDBN-UHFFFAOYSA-N", "SMILES:NC1(c2ccc(-c3cc(C(=O)O)cc(-n4cc(-c5ccc(C(F)(F)F)cc5)nn4)c3)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFSYJCQINCDMW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3(CO)COC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOQJWFNJZDIFLY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3ccon3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHIJCDLCYUTQCS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POBSOFFHLDUCGW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3cc(CCO)on3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSZNQQLGIRFGP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3nnn[nH]3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWKKXZJRYOKLQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3cc(CO)on3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPGKDWNZWLQGDX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(-c3cc(CO)on3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTTJFZWCVQKDDV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDAWKQKKVDLQTO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)nc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXBNAXRFBSKFH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc(-c2ccc(C3CCNCC3)cc2)n1"]}
{"name": "P2Y purinoceptor 14", "xref": ["CHEMBL.TARGET:CHEMBL1770046"], "id": "UniProtKB:Q9ESG6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVGMSBCAUNNDU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2ccc(-c3cc(C(=O)OCC(=O)N(C)C)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRXCTUPOJKNDG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVLEVOZIQNTJR-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)COC(=O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGXGRYNXXLPGLY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3OC)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGMYWWQQSAYPS-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cccc(OC)c3)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUPJZMHXUDMOC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(OC)c(OC)c3)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQJGOZMKDZHJQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXQWCRIDLAPVTM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3C)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLMZPUIATFGUSK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cccc(C)c3)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZJIEORRZMXBH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3O)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZQLHVWCRYIKHA-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCXXUDVYNORQBB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(=O)O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZQGCSJWVQZYQM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3C)=NN2c2ccc(C(=O)O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCVJTKKTLCIAP-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZWSNXYPNLCAIB-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)C(c2ccc(OC(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJBPHYWZWXQDE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKQSELZTOSCODZ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFCPCWAJRWAJU-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFRKVYPVDDJRBC-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKWFWWODEMKPKF-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCUJMRKIRMCLI-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZUPIWOXXRGLS-UHFFFAOYSA-N", "SMILES:CCOc1c(F)cc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGIVWVPYIHYTB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C3Cc4ccccc4C3=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJVRJYQXEPMJHD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C3COc4ccccc4C3=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTYAFIKJCIHIX-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVZZCJJLVWTGM-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCGXTUXBORXOU-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc(N2N=C(C(C)(C)C)CC2c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJGIZPCNODCSR-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc(N2N=C(C(C)(C)C)CC2c2ccc(OC)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAYQAMTBWZGSC-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc(N2N=C(c3ccccc3C)CC2c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAANKOGQBDQYIA-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3C)=NN2c2ccc(C(=O)NCCO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3965079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSWJWIRIXUTEM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBHBUOSPGAPLHZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFSQJGPHXRHOPR-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHDYQNJONCQLX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTEKZOROJZXCET-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFJJSGHHIMYMGC-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMAHNUGCELPIJH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3C)=NN2c2ccc(C(=O)N3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPQMOXLJIDDMY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3C)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKESFJBBYRLROW-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3C)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTLKRIVTQMRCG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEDQRIJBOKHVIA-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWIQXDNMLDMNE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLXRJLYIMPNFU-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALNJIEWMTLDWMO-UHFFFAOYSA-N", "SMILES:CCOc1c(F)cc(C2CC(C(C)(C)C)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXSASLSNHDASC-OSWDIKPLSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPUDHCQPPHRWLZ-VMAXLJRXSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZISLLTBINIGKOP-OSWDIKPLSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQKAJSPCGQOIR-VMAXLJRXSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABBKSBSRUZCRJR-SJWJVQBYSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQLRTPBTEGLYEE-KEJCQSEFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(CCC(=O)O)C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPLRNMEJZSWQQ-KCHRGLEOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(CCCC(=O)O)C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXFDIAVOJUVWHA-APTYEVGVSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARIRIFEHUODNK-XKEUUMNBSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEOWYYUEZMIHPR-IAISPAPOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFOVGZMPXWYQPR-WJXOWKRISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBYFQVLYCKAZJI-BRQYEDPGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEBGODSDUZIDM-VARMWWPZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVGLGKCUCRMDZ-WJXOWKRISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQADVNIWPNLAV-VARMWWPZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOAGZQHSYOCZMF-FFJMHSSISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPYDUFQFNJPLZ-OQXMJBBDSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKDLUDIKDIBQJX-JBAJZNATSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(F)c(F)c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKFBPKKKPHHNX-TZGDBOEKSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTEBWZXMDRRLAA-KQSSQTBHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYSYNCVDZVIZDU-XUFMKALWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLUHHCLMGIFHKG-WIIHNZBCSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(C)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYKNAHMVVRQER-HTXWFFSLSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSAWHWERCUCKB-HGUOCSJCSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOABKOAQPOVZJV-HGUOCSJCSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMSTELHXVEGAU-HGUOCSJCSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVSVLRYVPXFJOT-ATDSOETASA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"name": "Glucagon receptor", "xref": ["CHEMBL.TARGET:CHEMBL4773"], "id": "UniProtKB:Q61606", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Gastric inhibitory polypeptide receptor", "xref": ["CHEMBL.TARGET:CHEMBL4879457"], "id": "UniProtKB:Q0P543", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPWXVWZFQXQWTH-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZTPYWCVQLUFKA-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGTMKVKIEQKSLY-UHFFFAOYSA-N", "SMILES:O=C(NCCBr)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXCAPEKRDSTPOS-UHFFFAOYSA-N", "SMILES:COC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWGGMGKNIIQGU-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZBNMVDJLSIKU-UHFFFAOYSA-N", "SMILES:O=C(OCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQOONYTDXMPLQ-UHFFFAOYSA-N", "SMILES:O=C(OCCI)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZRAEHXTBCQLPV-UHFFFAOYSA-N", "SMILES:O=C(OCCF)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRNUKEYMMFBVIP-UHFFFAOYSA-N", "SMILES:O=C(OCC(F)F)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286013", "category": ["biolink:ChemicalEntity"], "name": "DIMEBUTIC ACID", "xref": ["InChIKey:VUAXHMVRKOTJKP-UHFFFAOYSA-N", "SMILES:CCC(C)(C)C(=O)O"], "synonym": ["Dimebutic acid", "Acide dimebutique", "Acido dimebutico", "2,2-dimethyl-butyric acid", "NSC-16045", "NSC-741804"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4848764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNAIZATUQBUPOI-UHFFFAOYSA-N", "SMILES:CN(c1ccnc(Nc2ccc(C#N)cc2)n1)c1c(F)cc(-c2ccc(C#N)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDLJJVFYUVUBPN-UHFFFAOYSA-N", "SMILES:CCN(c1ccnc(Nc2ccc(C#N)cc2)n1)c1c(F)cc(-c2ccc(C#N)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRUAFBRSGPOXMK-UHFFFAOYSA-N", "SMILES:CCCN(c1ccnc(Nc2ccc(C#N)cc2)n1)c1c(F)cc(-c2ccc(C#N)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATOIVZCJQOKPM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(N(CCO)c3c(F)cc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIIAAJZJZDJCPL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(N(CCCO)c3c(F)cc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLRPWMDZWIKBH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(N(CCF)c3c(F)cc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVZVXSXPRBRJFE-UHFFFAOYSA-N", "SMILES:N#CCN(c1ccnc(Nc2ccc(C#N)cc2)n1)c1c(F)cc(-c2ccc(C#N)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSFBHDXKYGKNM-UHFFFAOYSA-N", "SMILES:C=CCN(c1ccnc(Nc2ccc(C#N)cc2)n1)c1c(F)cc(-c2ccc(C#N)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGKBNKHRCBMSY-UHFFFAOYSA-N", "SMILES:COCN(c1ccnc(Nc2ccc(C#N)cc2)n1)c1c(F)cc(-c2ccc(C#N)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZAAIHXYGRZQJA-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1ccnc(Nc2ccc(C#N)cc2)n1)c1c(F)cc(-c2ccc(C#N)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBQDCYGKBPQCS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N(c1ccnc(Nc2ccc(C#N)cc2)n1)c1c(F)cc(-c2ccc(C#N)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPWWXIQUKKIMU-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2ccc(C#N)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMPDYWMWHIMOV-JEFWXSHNSA-N", "SMILES:O=C(N[C@@H](CO)c1ccccc1)C(c1ccc(Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYRAPBRGITEET-HKBQPEDESA-N", "SMILES:Cc1c(CCC(=O)O)cccc1NC(=O)[C@H](c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBSVIUUSHXKZRT-YZNIXAGQSA-N", "SMILES:O=C(O)[C@H]1Cc2cccc(NC(=O)[C@H](c3ccc(CN4N=C(c5ccccc5)OCC4=O)cc3)C3CCCC3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCSXGIYALOODTG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)C(c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONVUUFVIQVACN-PMERELPUSA-N", "SMILES:CC(C)(Cc1cccc(NC(=O)[C@H](c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTWJVRHZWOBJB-PMERELPUSA-N", "SMILES:O=C(Nc1cccc(CC2(C(=O)O)CC2)c1)[C@H](c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLSWVKIURPZEOK-MHZLTWQESA-N", "SMILES:O=C(O)CCCCCNC(=O)[C@H](c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHYFZEZPFUUQOZ-MHZLTWQESA-N", "SMILES:CC(C)(CCCCNC(=O)[C@H](c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMUHMPZSAIRZQX-MHZLTWQESA-N", "SMILES:O=C(NCCCCC1(C(=O)O)CC1)[C@H](c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGBACKNXCQDGR-LJAQVGFWSA-N", "SMILES:Cc1c(CCC(=O)O)cccc1NC(=O)[C@H](c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAFYSEKPRCNSHB-DFXYEROKSA-N", "SMILES:CC[C@@H](C)[C@H](C(=O)Nc1cccc(CCC(=O)O)c1C)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPSKHJZEQENDV-NGOKVRLYSA-N", "SMILES:Cc1c(CCC(=O)O)cccc1NC(=O)[C@H](c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)[C@@H](C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWBTZJASUPBAU-UHFFFAOYSA-N", "SMILES:CCN(C)C(C(=O)Nc1cccc(CCC(=O)O)c1C)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXRAUVKGLXBST-KCWXNJEJSA-N", "SMILES:CC[C@H](C)[C@H](C(=O)Nc1cccc(CCC(=O)O)c1C)N1CCC(CN2N=C(c3ccccc3)OCC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXRAUVKGLXBST-ONOMSOESSA-N", "SMILES:CC[C@@H](C)[C@H](C(=O)Nc1cccc(CCC(=O)O)c1C)N1CCC(CN2N=C(c3ccccc3)OCC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAORCBJMHRQTJW-UHFFFAOYSA-N", "SMILES:Cc1c(CCC(=O)O)cccc1C(=O)NC(c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHQAXGXFRLDVNI-UHFFFAOYSA-N", "SMILES:CN(C(=O)C(c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1)c1cccc(CCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZGHBVXEMCLSM-XIFFEERXSA-N", "SMILES:Cc1c(CCC(=O)O)cccc1NC(=O)[C@H](c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAMJYEOJKYHZHZ-UHFFFAOYSA-N", "SMILES:Cc1c(CCC(=O)O)cccc1NC(=O)C(c1ccc(Cn2ncccc2=O)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYLTUAMDMITUEP-UHFFFAOYSA-N", "SMILES:Cc1ccc(=O)n(Cc2ccc(C(C(=O)Nc3cccc(CCC(=O)O)c3C)C3CCCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSZKKOKYBMGSCL-MHZLTWQESA-N", "SMILES:Cc1c(CCC(=O)O)cccc1NC(=O)[C@H](c1ccc(Cn2nc(C(F)(F)F)ccc2=O)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJYMOBFPFFHKG-UHFFFAOYSA-N", "SMILES:Cc1c(CCC(=O)O)cccc1NC(=O)C(c1ccc(CN2CCOC(c3ccccc3)=N2)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUZGRQNTMSTSJF-WINIVTDRSA-N", "SMILES:C[C@H]([C@H](C(=O)Nc1cccc(CCC(=O)O)c1)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGCNLTFORVTNAZ-QFIPXVFZSA-N", "SMILES:Cc1c(CCC(=O)O)cccc1NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQZGLFZTDIYADM-YJYMSZOUSA-N", "SMILES:Cc1c(CCC(=O)O)cccc1NC(=O)[C@H](c1ccc(Cl)cc1)[C@@H](C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYZUCXTHBEOSG-ACJLOTCBSA-N", "SMILES:C[C@H]([C@H](C(=O)Nc1cccc(CC2(C(=O)O)CC2)c1)c1ccc(Cl)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTPJFHVJUPOON-PXAZEXFGSA-N", "SMILES:C[C@H]([C@H](C(=O)Nc1cccc(CC2(C(=O)O)CC2)c1Cl)c1ccc(Cl)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFJUPTCMQVXMBO-XIKOKIGWSA-N", "SMILES:C[C@H]([C@H](C(=O)Nc1ccc(Cl)c(CC2(C(=O)O)CC2)c1)c1ccc(Cl)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATLNCHTBWOHFY-XIKOKIGWSA-N", "SMILES:C[C@H]([C@H](C(=O)Nc1cc(CC2(C(=O)O)CC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWAYXMOEYWDHMJ-KUHUBIRLSA-N", "SMILES:Cc1ccc(CC2(C(=O)O)CC2)cc1NC(=O)[C@H](c1ccc(Cl)cc1)[C@@H](C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSDBRYSCIMREC-XIKOKIGWSA-N", "SMILES:C[C@H]([C@H](C(=O)Nc1cc(CC2(C(=O)O)CC2)ccc1F)c1ccc(Cl)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGRRVTLLKLACFN-IUUKEHGRSA-N", "SMILES:C[C@H]([C@H](C(=O)Nc1cc(C[C@H](C)C(=O)O)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEQYQYXOIKLBLQ-SZNDQCEHSA-N", "SMILES:CCc1ccc([C@@H](C(=O)Nc2cc(C3(CC(=O)O)CC3)ccc2F)[C@@H](C)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWVAMZFEPBIPSA-XCLFUZPHSA-N", "SMILES:C[C@H]([C@H](C(=O)Nc1cc(C2(CC(=O)O)CCC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSFVQRUTKZNBB-BLVKFPJESA-N", "SMILES:C[C@H]([C@H](C(=O)Nc1cc(C2(CC(=O)O)COC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTGYCYXPNJSID-HKBQPEDESA-N", "SMILES:Cc1c(C=C[C@H](c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)cccc1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAOVZZAWHXZTMA-PMERELPUSA-N", "SMILES:O=C(O)CCc1cccc(NC(=O)[C@H](c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYIIYLRYFLBIJB-KVCBOLPTSA-N", "SMILES:CC(C)C(CC(=O)O)c1ccc(Cl)c(NC(=O)[C@H](c2ccc(Cl)cc2)[C@@H](C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAOVZZAWHXZTMA-SSEXGKCCSA-N", "SMILES:O=C(O)CCc1cccc(NC(=O)[C@@H](c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXBHSQNTXTMLG-UWJDILLBSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6nnn([C@@H](C)c7ccccc7)c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"name": "Replicase polyprotein 1ab", "xref": ["CHEMBL.TARGET:CHEMBL4888440"], "id": "UniProtKB:P0C6X1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11137"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUOOHIRKOXAJO-PLRJNAJWSA-N", "SMILES:O=C(N/C(=C\\c1ccccc1)C(=O)C1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIPKUGQJNMRFTR-NWDGAFQWSA-N", "SMILES:Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2cc(O)c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDEFFRJHKJGSLD-NWDGAFQWSA-N", "SMILES:Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCZHUWTEKABIV-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCC(C3(N)CC3)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCZHUWTEKABIV-CYBMUJFWSA-N", "SMILES:Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFQZZVALWNJFCJ-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCC(C3(N)CC3)C2)c(F)cc2c(Cc3n[nH]c(=O)o3)cc(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWKARXVIRZSQK-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCC(C3(N)CC3)C2)c(F)cc2c(CC(=O)N(C)C)cc(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKZNNYVNRZLNTA-WCQYABFASA-N", "SMILES:C[C@H]1CCc2c(N3CC[C@@H](C4(N)CC4)C3)c(F)cc3cc(C(=O)O)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHUDIDQMWVCFK-VHSXEESVSA-N", "SMILES:C[C@H]1COc2c(N3CC[C@@H](C4(N)CC4)C3)c(F)c(F)c3cc(C(=O)O)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSQKBATYFNVVBB-VHSXEESVSA-N", "SMILES:C[C@H]1COc2c(N3CC[C@@H](C4(N)CC4)C3)c(F)c(Cl)c3cc(C(=O)O)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMQUOXNOZPUALZ-WCQYABFASA-N", "SMILES:C[C@H]1COc2c(N3CC[C@@H](C4(N)CC4)C3)ccc3cc(C(=O)O)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXWPPSKTSEMCT-WDEREUQCSA-N", "SMILES:C[C@H]1COc2c(N3CC[C@@H](C4(N)CC4)C3)cc(F)c3cc(C(=O)O)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYMSSJHOLGXPSV-WDEREUQCSA-N", "SMILES:C[C@H]1COc2c(N3CC[C@@H](C4(N)CC4)C3)cc(Cl)c3cc(C(=O)O)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKSZENONXRNKSS-GXTWGEPZSA-N", "SMILES:Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2ccc(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNQDVXAHZSAQH-UHFFFAOYSA-N", "SMILES:Cc1c(N2CC3CC3(N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCFZXUZBMASIK-FJXFWJLJSA-N", "SMILES:C[C@H]1COc2c(N3C[C@H]4CCC[C@@H](N)[C@H]4C3)c(F)cc3cc(C(=O)O)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHCYVLSOPVNDQ-CYBMUJFWSA-N", "SMILES:Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(C(N)=O)c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIIDOQJEHOCOSD-OAHLLOKOSA-N", "SMILES:Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(C#N)c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHNPWIUUCBZLD-CYBMUJFWSA-N", "SMILES:Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(-c3noc(=O)[nH]3)c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKHWZLIHFKVHC-CYBMUJFWSA-N", "SMILES:Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(-c3n[nH]c(=O)o3)c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWFNTWXZNYTPS-CQSZACIVSA-N", "SMILES:Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(-c3ncon3)c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFCKXRAOOCXPGW-CQSZACIVSA-N", "SMILES:Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(-c3nnco3)c(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBRLZXDMPRFYEO-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCC(C3(N)CC3)C2)c(F)cc2c(-c3cc(O)no3)cc(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORDBGTIGMPYICC-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCC(C3(N)CC3)C2)c(F)cc2c(-c3noc(=S)[nH]3)cc(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXIYUDQXPCQEAR-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCC(C3(N)CC3)C2)c(F)cc2c(-c3n[nH]c(=O)o3)cc(=O)n(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBHVPHOEUNEQKZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSRZDTZHVDGDDZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(=O)c4c(O)cccc4o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMDKZXLYZUKJL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(=O)c4cc(F)ccc4o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGQREDRQUZZKL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(=O)c4ccc(C)cc4o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFKHLRHBXHXTQK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5O)n4)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMPWGQIXLRCHKJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccs5)n4)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVKDXMRTPUTJOG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc(Nc3cc(C(=O)Nc4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)ccc3C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEAKPCOAAUGNAK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(C)cc5)n4)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGZEIOOQZNXAL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTUYACVLLCREC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccco5)n4)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDGJXQHBHXCRR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccc(O)c5)n4)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HULCXMVPGLDCBY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYZUWFHTUOLPC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccn5)n4)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRTFKLRXTIGBHN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPDKFRRKZGDQI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccccc4O)n3)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBHYVGXHFABTBU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4cccs4)n3)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZKSLSZKOFYLMN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc(Nc3cc(C(=O)NCCN4CCc5cc(OC)c(OC)cc5C4)ccc3C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGDLZGDJAJYKGS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccc(C)cc4)n3)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYBFCBVMIYRAL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccco4)n3)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONVUQZXBGONGOR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4cccc(O)c4)n3)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUKLUWGZSWYAT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccc(F)cc4)n3)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GARPHPYYLBGAAF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccccn4)n3)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLZPFPHYWPQEKO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccccc4)n3)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQZETNXPOACPZ-UHFFFAOYSA-N", "SMILES:Cl.NC(COc1ccccc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YECTXWSAIMUQLI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(OCC(N)c2ccccc2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWKFYLOFDGEFK-UHFFFAOYSA-N", "SMILES:Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n(C(c3cnn[nH]3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJARZGSRRXPOTK-GNUZTRDVSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3cc(F)c(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENGKLXMZRODAK-NDEPHWFRSA-N", "SMILES:Cc1cc([C@H](C2CCOCC2)n2c3cc(C(C)(C)O)ccc3c3ncc(-c4c(C)nnn4C)cc32)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFFRALIRWDMZPW-MHZLTWQESA-N", "SMILES:Cc1cc([C@H](C2CCOCC2)n2c3cc(C(C)(C)O)ccc3c3ncc(-c4c(C)nnn4C)cc32)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFFRALIRWDMZPW-MPJYBERFSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3cc(C)on3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPBDBBRDHXXDR-SVJJMHFFSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)c(F)c3n([C@H](c3cc(C)on3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIBNHWMOCZSWAS-MPJYBERFSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3cc(F)c(C(C)(C)O)cc3n([C@H](c3cc(C)on3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKATWBOQPOZUSM-TVECXBKPSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccc(Cl)cn3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXDPZUDXBJTBA-TVECXBKPSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ncccc3F)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJGSUFHIMBFZFP-BEDCNXSPSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)c(F)c3n([C@H](c3ncccc3F)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAOOVOXLJSZQOW-MPJYBERFSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3c(F)cc(C(C)(C)O)cc3n([C@H](c3cc(C)on3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHGACNDOQSRED-XTJVQUPUSA-N", "SMILES:C[C@@H](CNc1nc(NCCc2ccccc2)nc(NC2CCC(C(=O)NCc3ccc(C(=O)O)cc3)CC2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUCQCJBNMKQCKO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)C2CCC(Nc3nc(NCCSCc4ccccc4)nc(NCCc4ccccc4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDFEOOFCXOYJV-HVGLPDNPSA-N", "SMILES:C[C@@H](CNc1nc(NCCc2cccs2)nc(NC2CCC(C(=O)NCc3ccc(C(=O)O)cc3)CC2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYQXTKZZCDKJTE-RHKCVOJBSA-N", "SMILES:CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(C(=O)NCc3ccc(C(=O)O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTOZUMAPMDLLF-YFPLAWBCSA-N", "SMILES:CC(C)CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(C(=O)NCc3ccc(C(=O)O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSVLUWLFPYPQAN-NLMOZGTASA-N", "SMILES:CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(C(=O)NCc3ccccc3SC(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INBUXJKSPYDDLE-NLMOZGTASA-N", "SMILES:CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGBFRMFQFVXTAA-NLMOZGTASA-N", "SMILES:CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYPKVYBECOZQX-RHKCVOJBSA-N", "SMILES:CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(C(=O)NCc3ccc(C(F)(F)F)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPXDSGUNFNBTML-BVVFMGSASA-N", "SMILES:CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(C(=O)NCc3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXOKHRBXQXFVGE-RHKCVOJBSA-N", "SMILES:CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(C(=O)Nc3ccc(CC(=O)O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNBLJZMUCAKOK-UHFFFAOYSA-N", "SMILES:CNc1nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVXJXQGRYQEDV-UHFFFAOYSA-N", "SMILES:CNc1nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBFKYBVJZIUPU-UHFFFAOYSA-N", "SMILES:CNc1nc(NCc2ccccc2)nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSMFFJZPANDMJP-UHFFFAOYSA-N", "SMILES:CNc1nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N(C)CCN(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGGAJOYHPQCLI-UHFFFAOYSA-N", "SMILES:CNc1nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSMUMVDIXUZNIP-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc(C(=O)NCc3ccccc3C(F)(F)F)cc2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXPKVUBSJSCTLI-UHFFFAOYSA-N", "SMILES:CNc1nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWJADOBKSHTRD-UHFFFAOYSA-N", "SMILES:CNc1nc(N2CCN(C)CC2)nc(N2CC(C(=O)NCc3ccccc3C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONSMPLUPHZHKW-UHFFFAOYSA-N", "SMILES:CNc1nc(NCc2ccc(C(=O)NCc3ccccc3C(F)(F)F)cc2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCMNQPDTJCUTEK-UHFFFAOYSA-N", "SMILES:CNc1nc(NC2CCCC(C(=O)NCc3ccccc3C(F)(F)F)C2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFTHHGXMGFSZDM-UHFFFAOYSA-N", "SMILES:CNc1nc(NCc2cc(C(=O)NCc3ccccc3C(F)(F)F)oc2C)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWVDSNYXBDANP-UHFFFAOYSA-N", "SMILES:CNc1nc(N2CCN(C)CC2)nc(N2CCCc3cc(C(=O)NCc4ccccc4C(F)(F)F)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFDCYQMTYISCMG-UHFFFAOYSA-N", "SMILES:CNc1nc(Oc2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMVNKXATYYASHC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCHSBAPBQXDRKS-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANBJDEWIAPJPGU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cc2cc(F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRGQTDMWOMYASR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cc2cc(Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWLIDOWNKGMDA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVJHCVJHGYQBSY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBBLFMBCCQYUGI-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc2ccccc2[nH]1)Nc1ccc2nc3n(c(=O)c2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYMLEIQVIDRSKO-CSKARUKUSA-N", "SMILES:O=C(/C=C/c1cc2ccccc2[nH]1)Nc1ccc2nc3n(c(=O)c2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZKCOPCMADHEJ-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cc2ccccc2[nH]1)Nc1ccc2nc3n(c(=O)c2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIHLGPVJKZBHE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)Nc3cc4c(=O)n5c(nc4cc3C)CCC5)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPSIHQTVULAQO-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3n(c(=O)c2cc1NC(=O)c1cc2cc(F)ccc2[nH]1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLCSQEKQWJVTSU-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3n(c(=O)c2cc1NC(=O)c1cc2cc(Cl)ccc2[nH]1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBCHJIOHAFSORZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(NC(=O)CSc2nc(Nc3cccc(F)c3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQCQNMJFDYVMFG-WLSDRMAQSA-N", "SMILES:CC(C)C(NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(NC(=O)C1(NC(=O)COc2ccccc2-c2n[nH]c3ccc(Cl)cc23)CC1)C(=O)NC(=O)CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKRZGJRUOAGPO-UHFFFAOYSA-N", "SMILES:N=C(NCCC(O)c1ccccc1N)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWQKOQMBWGWOHS-UHFFFAOYSA-N", "SMILES:N=C(NCCC(O)c1ccccc1N)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATQPVGTLRQYIG-UHFFFAOYSA-N", "SMILES:N=C(NCCC(O)c1ccccc1N)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAFUJPLCPHMFGX-UHFFFAOYSA-N", "SMILES:CC(=N)NCCC(O)c1cc(Cl)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQQKNDLNJHUOKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(N)c(C(O)CCNC(C)=N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQFITIELLSYLT-UHFFFAOYSA-N", "SMILES:COc1ccc(N)c(C(O)CCNC(=N)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLPINARZNYUBRM-UHFFFAOYSA-N", "SMILES:COc1ccc(N)c(C(O)CCNC(=N)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUCYJQFUVCEDN-UHFFFAOYSA-N", "SMILES:COc1ccc(N)c(C(O)CCNC(=N)c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQRSYBSCBOAIIT-UHFFFAOYSA-N", "SMILES:N=C(NCCC(=O)c1ccccc1N)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXGHZBUVQFQWAW-UHFFFAOYSA-N", "SMILES:CC(=N)NCCC(=O)c1cc(Cl)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNBGYKKQRNIJJP-UHFFFAOYSA-N", "SMILES:COc1ccc(N)c(C(=O)CCNC(C)=N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOQEWHBMDFPST-UHFFFAOYSA-N", "SMILES:COc1ccc(N)c(C(=O)CCNC(=N)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFCDYSPXFWZQRF-UHFFFAOYSA-N", "SMILES:COc1ccc(N)c(C(=O)CCNC(=N)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVUHRMYTDLPYAW-UHFFFAOYSA-N", "SMILES:CCNC(=O)NCCC(=O)c1cc(Cl)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVBHLGWKEKMYGQ-UHFFFAOYSA-N", "SMILES:CNC(=S)NCCC(O)c1cc(OC)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIXQPBURRNZXBE-UHFFFAOYSA-N", "SMILES:CC(=N)NCCC(=O)c1ccccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMUVYNNUPARJMB-UHFFFAOYSA-N", "SMILES:N=C(NCCC(=O)c1ccccc1N)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUMCWHPIGGSQS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(=O)n(Cc2cc(Br)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INZCSVVZDUIXSN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJMXKMEIUHQDU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(N)=O)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMWOSTUJTUWKX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Cc2ccccc2)nc(C(=O)NC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MROFSUPKFQQIJI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)N(C)C)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYGFAAJVFGLGIG-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(Cc2ccccc2)nc(C(=O)NC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNFFYQQVRGJMR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPZFLZVHFIDCF-LRDDRELGSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGWKUXBISUIFT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2COC2)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQRNJZDJWMGBEX-WKILWMFISA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2C[C@H](O)C2)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJSDEMGKRTLIU-VQFNDLOPSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTVWUPTEXWHRV-RDHRVNKHSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](O)C[C@@H]32)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTVWUPTEXWHRV-SXOLKLDHSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@H](O)C[C@@H]32)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRAVKISGZIARI-IRJFHVNHSA-N", "SMILES:CNC(=O)c1cc(C(=O)NCCC[C@H]2OC[C@H](N)CO2)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZJTYJUCNVNQX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc(Cc2cccc3[nH]ccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJQRCKOABGXQE-YRWFTTLQSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc(Cc2cccc3[nH]ccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDOOUNKCRLZBK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc(Cc2cccc3c2CCN3)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKWGFXURQXWUHE-SGTLLEGYSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc(Cc2cccc3[nH]ccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHSLRVBTLARSF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc(Cc2cccc3cn[nH]c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYQUCQJYWKQBRS-GFCCVEGCSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cn([C@H](C)c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYQUCQJYWKQBRS-LBPRGKRZSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cn([C@@H](C)c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUKTEKHFHLCSV-GFCCVEGCSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc([C@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUKTEKHFHLCSV-LBPRGKRZSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTIIKJCRYRUFLT-NALNUFGESA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBICOINJVJVSIX-YZKGYFAASA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@H](O)C[C@@H]32)cc([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBICOINJVJVSIX-DDGCZPKESA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](O)C[C@@H]32)cc([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZINPEJHDHBMRB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc(C(O)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLWRGACJVBOQDY-GHJHHLCSSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc(C(O)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCEJRUFZZCXACB-DJGLPDFBSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc(C(OC)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRABYUHHDSKQAA-CJRSANABSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc(C(OC)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUPKMOZLDSAOF-BFPHGVDSSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](O)C[C@@H]32)cc(C(OC)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDVBFFDMZTWJK-IRNAAHPTSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc(C(CO)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZMLVZNVSCIVMA-KAKCIXEOSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc(C(CC#N)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDFNWCIDFFJRA-FCWJDDEISA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc(C(CC#N)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635134", "category": ["biolink:ChemicalEntity"], "name": "GSK620", "xref": ["InChIKey:QZZCUOVXHPAQRQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJSKWCXPUVTNCF-UKOIWPHMSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc(C(O)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCBJZVPIGAEBL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc3[nH]ccc23)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBQXOBXQKBYIR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC(C)C)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXHFORODMAKBS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CCOCC2)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCKEJXKMKEPDQ-SAABIXHNSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)cc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDTLKHNKPPBMQL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COc3ccnc(N4CCOCC4)n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTDJRDJKLJSFRX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nccc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPCZMUXPBRHJRN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COc3ccnc(N4CCCCC4)n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOOQSMCHFQJMSP-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1-c1nccc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYNGTQCAJQNSC-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nccc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXUQOAHCFUIOJH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nccc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJHSHAQLOHVHR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COc3ccnc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKLBRXGMXYQKF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COc3ccnc(N4CCN(Cc5ccccc5)CC4)n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAONUWUKJBIBBC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COc3ccnc(N4CCN(Cc5ccc(Cl)cc5)CC4)n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWJWFIORUKBFF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COc3ccnc(N4CCN(c5ccccn5)CC4)n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQJOVPBOEVMUAV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COc3ccnc(N4CCN(c5ccccc5)CC4)n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNYZMUAMUDIOAK-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(c2nccc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNSTURGCMQFBA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COc3ccnc(N4CCN(c5ccc(F)cc5)CC4)n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWKZAVAUFWTHZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(c2nccc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRZRRVSYOWJDMK-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHJBYEXXZWJVBK-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKRUNOWZOHUBJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBSGAGEQVAKAL-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(-c2ncccc2C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCDBSKJTCWWPP-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc(C)cc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZTXACJKBBXCK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C)cc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWYHVSXEARXXHR-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWQTZWAEBOUFZ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCN(Cc3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGMWQPTYGHLYRF-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCN(Cc3ccc(Cl)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWTVRSYYDUQYGB-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCN(c3ccccn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCPUUCAURFCUCA-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCN(c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIIITZYONLUJDQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(c2nc(C)cc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXWAEKQQXUUNDG-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)nc(N2CCN(c3ccc(F)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGIAJAQAHNXRZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(c2nc(C)cc(OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHSQXZZMKDUQLK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(-c3c(O)c4ccccc4oc3=O)nc(N)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GASJSONKGOIOOV-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc2c1=O)NCCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1310918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTLWUWIALIQVHE-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc2c1=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCEWALNRCMURQB-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc2c1=O)NCCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPFFDGFFVKSWCC-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc2c1=O)NCCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1380104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVOHIKZRVMJRP-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)Cn2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLQOJVKJGYHQZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCNC(=O)Cn2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCWMXSDIMIORQX-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc2c1=O)NCCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHIFMSLOXYVBO-ZDUSSCGKSA-N", "SMILES:C[C@@H](CNC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXSDOHBTDMGFG-ZDUSSCGKSA-N", "SMILES:COc1ccc(C[C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1546963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDUYAAXCFNHEKY-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRVHTHJIFYTNJL-UHFFFAOYSA-N", "SMILES:CC(NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHVMDYVNLXEPA-ZDUSSCGKSA-N", "SMILES:Cc1cccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSIBSVOWOZOCM-GFCCVEGCSA-N", "SMILES:C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMCXXVXTHXFDB-LSLKUGRBSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)C(C)n2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXUQELLPPYXOBQ-UEWDXFNNSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)C(C)n2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMDCPRDDLMNBL-INIZCTEOSA-N", "SMILES:CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1460960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXIJKVPWNPBOQ-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc2c1=O)NC1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQXKBCGIDSYOC-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSUBIDNPUUXBY-LBPRGKRZSA-N", "SMILES:COc1ccc([C@H](C)NS(=O)(=O)Cn2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXHRMQFOSJBNFN-ZDUSSCGKSA-N", "SMILES:Cc1ccc([C@H](C)OC(=O)Cn2nnc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNJSHEXKCZPGIW-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBCCXGIRDBVOTN-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIRCJRUZRVLDFA-UHFFFAOYSA-N", "SMILES:COCCCNc1nc(Nc2nc(-c3ccccc3)c(C(=O)N3CCN(c4ncccn4)CC3)s2)nc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXHVXKTIBVWDS-VTWSTLNFSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLRXYACKDQPJMD-XJIZABAQSA-N", "SMILES:CN1C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEWOEQXYUFXFT-XJIZABAQSA-N", "SMILES:CN1C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]1CCCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPLXJKASOQQIDO-XJIZABAQSA-N", "SMILES:CN1C(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRWFACNHHWSYMQ-XJIZABAQSA-N", "SMILES:CN1C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHWINNRAGTTTD-QVWIHFFISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNUOWCLSQXVPA-COQAPAFSSA-N", "SMILES:CN1C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBGAPDBWGYOFU-XKIFMCPMSA-N", "SMILES:CN(C)CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIGGMXRCAYMJCI-YFWBWJTRSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJHYYMHASMCHW-YFWBWJTRSA-N", "SMILES:CN1C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPLGMRHBOAVQP-VTWSTLNFSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRKJLFTSWKQMN-FKRLEHQTSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CC(F)(F)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENRDXNNEXLLLB-DXYQMANYSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENRDXNNEXLLLB-NZGSBNGHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H](C(F)(F)F)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXRWHJLREPYJJM-JMQQQMJGSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMXFVMUJZRZSP-FKRLEHQTSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CC(F)(F)CN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEALCFXPAFWOAM-DXYQMANYSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEALCFXPAFWOAM-NZGSBNGHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2C[C@@H](C(F)(F)F)CN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBAMOFLGMAYSS-XKIFMCPMSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCIJIADGKCVCOI-XKIFMCPMSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(-c3ccc(C(N)=O)cc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHRWNUPCYXTGBJ-XKIFMCPMSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(-c3cccc(C(N)=O)c3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAQPVJFPFBSWKT-ITRLQRRMSA-N", "SMILES:CN(C)CCCC[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSCCNC(=O)[C@H](Cc2ccc(-c3ccc(C(N)=O)cc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CC(F)(F)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYWJUCBOFWVIHA-SZNGFNMTSA-N", "SMILES:CN1C(=O)CSCCNC(=O)[C@H](Cc2ccc(-c3ccc(C(N)=O)cc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CC(F)(F)CN2C(=O)[C@@H]2CCCCN2C(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARLXYYCXTCKYLQ-QVWIHFFISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAYYEBOETSKLHO-NUFUQFPKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRTKHRWCUDMOKP-GLMWGEBZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIFZWMQBSLOWDW-IBGZPJMESA-N", "SMILES:COc1cc2c(cc1OCCCCCCC(=O)O)C[C@@H](C(C)C)n1cc(C(=O)O)c(=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXLMOYQNDMHQT-KRWDZBQOSA-N", "SMILES:COCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](C(C)C)C2"]}
{"name": "Terminal nucleotidyltransferase 4A", "xref": ["CHEMBL.TARGET:CHEMBL4680033"], "id": "UniProtKB:Q5XG87", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOYIUXQMCLNDD-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(N3CCC(C(CC#N)n4cc(-c5ncnc6[nH]ccc56)cn4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKRPKXSOVGMHC-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cnc3[nH]ccc3c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHZJQZSPAIYMX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLUAUDRMSFJFJJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJEVLHTYUBABDJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWCAQQLPZYSTLH-UHFFFAOYSA-N", "SMILES:COc1cc(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c(Cl)c(OC)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQZPQFKVJWOQTM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWABYLWRJNIIY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYDXGKJWBUZOQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWWZCOLUCFTMQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(CCO)C2=O)CC(=O)N4)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEPMAUHVHUSELH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(CCN3CCOCC3)C2=O)CC(=O)N4)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUMHLIYCSXVGDX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(c3cccc(F)c3F)C2=O)CC(=O)N4)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEALNXGKDNCEDZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(c3ccc(C#N)cc3)C2=O)CC(=O)N4)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCMVOHHNJDEZPX-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3c(c21)C1(CC1)C(=O)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTLJMXEHHOIKL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(C)C2=O)C2(CC2)C(=O)N4)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJIQBICNLRGCK-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(C)C2=O)C(C)(C)C(=O)N4)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYAEOVZIXOJNP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(C)C2=O)C2(CCN(C)CC2)C(=O)N4)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJVGMZPVZAMEK-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3c(c21)CC(=O)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEIAIBOGYLFZCK-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(N2Cc3cnc4[nH]c(-c5cnn(C)c5)cc4c3N(C)C2=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRZAANLPOLQXJY-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2cc3c4c(cnc3[nH]2)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)N4C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFVUYKAAKJAHJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSBPMPVIVSNRW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)C1=Cc2ccccc2OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1470839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZKJJJGXPVYJKY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)C1=Cc2ccccc2OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIMIVUHBXFETCM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2COc3ccccc3C2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKTXNUGRYLONCX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)C1COc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUFDWCVFBWDSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)C1COc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASDGASIHRDFDSA-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJINTDHHNCFJN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIAOLTCVCGLFPP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSVOIRJAMUXTG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2csc3ccccc3c2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEFUKUPDUDNBGX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1csc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEJFTOLGXGYZNB-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1cc(-c2ccc(F)cc2)nn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWYXFBRAUPDMTC-HNNXBMFYSA-N", "SMILES:C[C@](O)(Cn1ccc(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUBZCCIHHRFTL-INIZCTEOSA-N", "SMILES:C[C@](O)(Cn1ccc(C#N)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJPFOCPCNPJHS-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cnc(Br)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJCUSRLDWMSLJ-HNNXBMFYSA-N", "SMILES:C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPRKHGNIRDPXDY-SFHVURJKSA-N", "SMILES:C[C@](O)(CCc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCTPUKOIDARXSK-IBGZPJMESA-N", "SMILES:C[C@](O)(CCc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTIQQQXWFXAXOL-NRFANRHFSA-N", "SMILES:C[C@](O)(Cn1ccc(-c2ccccc2)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVIEWAJAYEUKX-NRFANRHFSA-N", "SMILES:C[C@](O)(Cn1ccc(-c2ccc(F)cc2)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKYKJSORIJFXQN-QHCPKHFHSA-N", "SMILES:C[C@](O)(CN(c1ccccc1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLFALGEKMYIFT-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1cc(-c2ccc(F)cc2)nn1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWMMCFSCHWTDE-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1nncc1-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWRLVHACPDSNA-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1ccnc1)C(=O)Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDLBAQVJIXGKH-AWEZNQCLSA-N", "SMILES:C[C@](O)(Cn1cncc1Br)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJMZDTWBQJLLX-ZDUSSCGKSA-N", "SMILES:C[C@](O)(Cn1cncn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXKBPMXWVBTRAY-ZDUSSCGKSA-N", "SMILES:C[C@](O)(Cn1cnc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMDENWJBSUAKE-SFHVURJKSA-N", "SMILES:C[C@](O)(CNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWHQPCRJLXKCB-KRWDZBQOSA-N", "SMILES:C[C@](O)(CCc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCRVOKQPYZBHZ-IXPOFIJOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMSWWUPIMEGNZ-SGFFKCJDSA-N", "SMILES:CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPKJGHVHQWJOOT-ZJOUEHCJSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRBVFBQANEDDM-CUWPLCDZSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVXFSPURLYARR-QORCZRPOSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYENXTYKACLCGO-BZSNNMDCSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3559293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPZFJDYQHDZNR-HTCLRFROSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUZVOLEKQFVCQ-FFXRMZKPSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLYBHKPSKVEKR-DOVBMPENSA-N", "SMILES:CC(C)(C)C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJRGURBLQWEOU-FKBYEOEOSA-N", "SMILES:CCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMEIUTXCDSLHRT-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVFFNEPGXHEWJT-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYGMMSMBKVOJM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc(F)cc2Cl)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUSTOUEYBOQJA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2c(F)cccc2Cl)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFKUEWUROQKKJP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSBDILXXFDTAS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc(Cl)cc2Cl)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPYUZNDRFLBHQY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2cccc(Cl)c2Cl)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPIJGUUSAQHFNJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2c(F)cccc2F)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJXACDJUWHGPQB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2cccc(F)c2F)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAHQYQCPAIANJN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccccc2Cl)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3689037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJARZWJWNGZDX-HNNXBMFYSA-N", "SMILES:C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWTFRLHOMONHCF-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUUGNMZBAAUOS-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIJVRPVKSCKTH-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAIGRCVJHXKEBR-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQGTXGLBICVFAI-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTODQKWWJCVTG-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXULHOALKZAEPF-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMUACIEZIBFEG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1Cl)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPSFIKKQHFJNZ-UHFFFAOYSA-N", "SMILES:O=C(Cc1c(F)cccc1Cl)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETMKSVCEBRPAO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)c(C(F)(F)F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSYJLTKGECRQCM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)c(Cl)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBOAGNJHCLHIS-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXAPHXPLAVDZRG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTNDOMVXVYVFS-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(F)cc(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNILDFOCYWJGBB-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(F)ccc1F)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGULETYTXQJNGH-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1F)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKJAYGCRGDBRTA-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1F)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCXPEHDKCCSFHM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHAKJAAUUOLOMT-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(Cl)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNGSXKDAJUIMDR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Cl)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3689057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHOABVDHYAEXMO-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBGOHGNCSLQEEG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1F)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3689046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFSKWWRGFCGDO-LBPRGKRZSA-N", "SMILES:C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWOMPOPOLDJGOY-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(F)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUHNRUKLNCZOHM-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCGICGNTRKSXRC-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSQNBZDCSNDAQX-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)cc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMFPUNREURIEIT-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2c(F)cccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVULONSXXIKCA-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTPVIIZTMXFJC-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cccc(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZRIYNXKCNLSGD-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYYHFMSWWIADT-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHSBCHOQAAKWJO-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIZJHQCECQJMG-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccc(F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZBSIFTSTXFAH-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2c(F)cccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGFHEHZSHHTKI-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRNGNWSMJVOES-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZIYSYABJSRIDC-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABIAQWRDYQHFU-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2c(Cl)cccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSGEOUGELPDRS-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULITRRVMFGTPX-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFBPKBPOKYCMH-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(F)cc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAINCCALWZHWME-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2c(F)cccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STPIQBLJAJXJGI-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(F)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POXOBOSVCZJQSQ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cccc(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLYGOBIXREWMQ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDKUMDGQNWQCDA-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTWGXXEXUQVMN-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQMJVPXGNFKPP-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAEHJMDFGJYCKW-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(Cl)c1Cl)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCENGBJDKNHLCH-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNKOFRQLYOWZIS-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVGJYSAOLDQQKT-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVLCMBTDRYMOA-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFZIRPUTTUONTG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc(F)c(Cl)c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHWJXONKCQXIHK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc(F)c(F)c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXYKIYLDJYTWMS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSLGNUQCVNCEAN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2cccc(Cl)c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HROOYBWHLVIDHU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc(F)cc2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJKAPMSEWIGJK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2cccc(F)c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRNDJPIKQOATQD-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEOVDPZUWPDMHU-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWTWSPDTQRTQC-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVNQTEUDWJJHOP-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBMOOZZYPMNUQN-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZYELXAYLRZQG-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPBOZDLXLZCUTE-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPHXIOAMQURPGJ-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YICPHVMIHOXZLP-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPGRXUMRJXZANY-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAKKGVRXFFPEQE-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVQNLKVNLLCVAL-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWMJONYRIHHOV-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKFNHCJOZSUNJ-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJOKQJBVEGXYEN-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKODCCNGOVQKCQ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMMKKBLDULAQFG-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccc(Cl)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRMRTVOVRZKUGX-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRLXNSASDFWRCU-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNOJHRYMCVGYPZ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHIKNALPSYUTDO-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(Cl)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOXVARMZOCDTHN-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPEBFVIAPYKMIC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)c(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRADUWKISUJEY-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOFKCZVDZPQHND-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PISUTKBAEPKWCH-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOJWXDAKKRYWCR-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKXJKNQJGZESB-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQNCRKSJJXKIA-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3689050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAMQROQECLLEKG-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXBTLXVWXMEMH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccccc2F)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGWXCOKBJHTQU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc(F)cc2F)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQHZWKALPBIMAZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2cc(F)ccc2F)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHHSYJQIYRWQHC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2cc(F)cc(F)c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQKRIYMUZLTOV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQLODLBMNHMMU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Cc2ccc(Cl)c(F)c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVJZXSYMEHJQNG-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYVIUGVSVDRLMB-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNJJGQLNGMGPJA-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZSODDFGOWUEZ-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBCTSXPHNMSPR-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHDHUWMPWGETQ-UHFFFAOYSA-N", "SMILES:CSc1ccc(CNC(=O)c2ccc3nncn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUIWGMLLZRCQPL-UHFFFAOYSA-N", "SMILES:CCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYSVRGINYUYKY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3nncn3c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWFLZHHORCOOD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)c1ccc2nncn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJURGLNHYDXPZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1ccc2nncn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVXVQDHPMPUPGD-UHFFFAOYSA-N", "SMILES:NCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYAZFZIPMYIQV-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCBLCATCCKJOA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc2nncn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJVNKOUOCYJMMI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc2nncn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSXYWNTTQNPBL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc2nncn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHVKCPMWXBIRJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CN2CCC2)cc1)c1ccc2nncn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQGHMVVAVQHFF-UHFFFAOYSA-N", "SMILES:CC1CCN1Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLHIOGGBYJFMI-UHFFFAOYSA-N", "SMILES:CC(C)C1CCN1Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYCOKUXODDLTII-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CCN1Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYVSIPFHBADQP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(CN2CCC2)c1)c1ccc2nncn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVHMKSXLPYZERP-UHFFFAOYSA-N", "SMILES:N=C(N)Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHKLRVUYCNWDFV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1CC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTSSVFHDMOSAKC-UHFFFAOYSA-N", "SMILES:N=C(N)Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLOZUYDJOHRDEO-UHFFFAOYSA-N", "SMILES:N=C(N)Cc1cc(CNC(=O)c2ccc3nncn3c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMQONSLCVIHLI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CNc2ncc(F)cn2)cc1)c1ccc2nncn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGWUZNIDBDYSR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CNC2=NCCN2)cc1)c1ccc2nncn2c1"]}
{"name": "Protein AF-9", "xref": ["CHEMBL.TARGET:CHEMBL4295761"], "id": "UniProtKB:P42568", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "YEATS domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4296261"], "id": "UniProtKB:Q9ULM3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "YEATS domain-containing protein 4", "xref": ["CHEMBL.TARGET:CHEMBL4296266"], "id": "UniProtKB:O95619", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBRHLLDONLJRFT-UHFFFAOYSA-N", "SMILES:CC(C)(O)COc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTXNDXNHJRLKJ-UHFFFAOYSA-N", "SMILES:Cc1cnc(OCC(C)(C)O)c(-c2ccc(S(C)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJBKMIXLHYBCCH-UHFFFAOYSA-N", "SMILES:CCc1cnc(OCC(C)(C)O)c(-c2ccc(S(C)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOZDPSPDZPRLTR-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(OCC(C)(C)O)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFGDZDURLXFFFE-UHFFFAOYSA-N", "SMILES:COCCOc1nc(OCC(C)(C)O)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRJSBSYDBZUZPJ-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(OCC(C)(C)O)c(-c2ccc(S(C)(=O)=O)cc2)cc1C(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNIQOHAENJOHFC-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(OCC(C)(C)O)c(-c2ccc(S(C)(=O)=O)cc2)cc1C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFOYCNEYFSHGF-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(OCC(C)(C)O)c(-c2ccc(S(C)(=O)=O)cc2)cc1COCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDUXEEOWHQUOQA-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMLSVSXCXUNNCV-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(OCC2COC2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHUEBYROLLRCL-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(OCC2(O)COC2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWHIXBKRQGZNW-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(OCC2(C)COC2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IROXGRQWHAFNLL-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(OCC2(O)CCC2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFNUYYFTMQCDOW-UHFFFAOYSA-N", "SMILES:CC(C)(O)COc1nc(OCCC(F)(F)F)c(CO)cc1-c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJUNHUOEBRIQIM-UHFFFAOYSA-N", "SMILES:CC(C)(O)COc1nc(OCCCC(F)(F)F)c(CO)cc1-c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYFPVPNDUPZXJW-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(OCC(C)(C)O)c(-c2ccc(S(N)(=O)=O)cn2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSDKKULYXMREW-UHFFFAOYSA-N", "SMILES:COc1nc(OCC(C)(C)O)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNRSHKBWGXMBIJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc(OCC(C)(C)O)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIGCLPHEGAEITL-UHFFFAOYSA-N", "SMILES:CCCOc1nc(OCC(C)(C)O)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKJAWWGNVSEHB-ZDUSSCGKSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LADJEJIWLZWLBM-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGNMCIDLEYYAOB-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3cc(F)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWRGLUVQDAHSBS-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3cc(Cl)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVQKELZJYSUST-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3ccc(F)cc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMMOVBRAQNAFV-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3ccc(OC)cc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFXDAXMJWYLKDE-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3cccc(F)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFBRLBWFBITTM-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(F)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJIZOUNDSPWQU-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(OC)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEIROKXBRBGGGJ-LBPRGKRZSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3cc(F)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXTUEPHEEDUGGB-LBPRGKRZSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3ccc(F)cc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBGGCBICFJBOB-LBPRGKRZSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3cc(Cl)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGGWFUNXFASDQ-ZDUSSCGKSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3ccc(OC)cc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWODCXKEZZLNTI-LBPRGKRZSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3cccc(F)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTVUTMTUCDCUQL-UHFFFAOYSA-N", "SMILES:Fc1cccc2nc(NCCc3ccccc3)nc(Nc3cc[nH]n3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOHTXKRNXFDBDS-LBPRGKRZSA-N", "SMILES:CCn1cnc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(F)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVXPLSILQDDFA-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKJAWWGNVSEHB-CYBMUJFWSA-N", "SMILES:CCc1cc(Nc2nc(N[C@H](C)c3ccc(F)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNAJZEGKZRDOTC-ZDUSSCGKSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3cccc(F)c3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCKMPKOAKXPZJM-AWEZNQCLSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(OC)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSXPLBXHQDNJE-ZDUSSCGKSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(Cl)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFHTWKIILPSJZ-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNHXUAHZPDQJV-AWEZNQCLSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(C)cc3)nc3cccc(F)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHXOMKYANMUKK-NSHDSACASA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(F)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHGUPGYNIRFGO-LBPRGKRZSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(C#N)cn3)nc3cccc(F)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQINLDSXMBRHJ-JTQLQIEISA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc3cccc(F)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVGVBQKQWYZEAP-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNNUJMAJVZQNH-AWEZNQCLSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)C3CCCCC3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJTSSIBHWSHNDQ-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCCN3CCOCC3)nc3cccc(F)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYMOXCZIQHPXOH-LBPRGKRZSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTJBMQVUHYZJLN-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDFCDSHKKEZJV-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(OC)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACLLLJSNOCYQOJ-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHNPUPCUJUYBV-LBPRGKRZSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(Cl)cn3)nc3cccc(OC)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCHQQLGTDJHFL-ZDUSSCGKSA-N", "SMILES:CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(C)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIGVSAJDMMXHNY-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(C)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURYOAGETDDIFD-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(C)c23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPDJGMLNCYWIC-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(Nc2nc(Nc3cc(C4CCC4)[nH]n3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNXHXDJOIXABJ-NSHDSACASA-N", "SMILES:Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBMAEBPZXXNKMZ-SECBINFHSA-N", "SMILES:N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3185552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DECIRKJAMAOVMR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3331078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHFKGYWIXILJC-UHFFFAOYSA-N", "SMILES:COc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLLFKUYKAAHYDX-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3ccccc31)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGPNVWODPAJLH-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHGXLDJGBMHAKZ-UHFFFAOYSA-N", "SMILES:CCC(C)c1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMLIISZCKTOIV-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1[nH]c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYTHTRDIOIKLGW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVHUHHHMYGDFNJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1[nH]c1ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLLTWHLYQOSSKN-UHFFFAOYSA-N", "SMILES:COc1cc2[nH]c3c(c2c(OC)c1OC)C(=O)c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAJDWPQGDOKRRH-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCCC(=O)NO)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBMAPVXDDOMBF-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cnc3ccccc3c1)nn2CCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKVKATMLAUBQFC-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCCCCC(=O)NO)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSKBYVJBUBMTNU-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nn(CCCCCCC(=O)NO)c3ncnc(N)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVRXRRHIZDQEY-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cnc3ccccc3c1)nn2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSYWGDMGBBKVNH-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(Cc4ccc(C(=O)NO)cc4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXRUDAFXVLCYTG-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(Cc4ccc(C(=O)NO)cn4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASICKBJKLXWFK-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(Cc4ccc(C(=O)NO)o4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVQHAQNRWHJSX-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(Cc4ccc(C(=O)NO)s4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDCJUMRPCRCIW-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CC4CCN(C(=O)CCCCC(=O)NO)CC4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHMSOXLBSZWRN-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CC4CCN(C(=O)c5ccc(C(=O)NO)cc5)CC4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKQWUBPQPZBRPQ-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CC4CCN(C(=O)c5ccc(C(=O)NO)s5)CC4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTVCYOEECUFBP-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CC4CCN(c5ncc(C(=O)NO)cn5)CC4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSEOONOVPLSZSS-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2cncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWQRRUGYGADOJJ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nn(CCCCC(=O)NO)c3ncnc(N)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTMFOJJKVQNGNM-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nn(CCCCCCC(=O)NO)c3ncnc(N)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUUUFICXTVCJQV-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(C(=O)N3CCC(COc4ccc(F)cc4Cl)CC3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMAHVJKXVJAKIY-UHFFFAOYSA-N", "SMILES:O=C1COc2ncc(C(=O)N3CCC(COc4ccc(F)cc4Cl)CC3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHVJZQQASHRYRF-UHFFFAOYSA-N", "SMILES:O=C1COc2cnc(C(=O)N3CCC(COc4ccc(F)cc4Cl)CC3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFZOZDOIVDVSHU-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(C(=O)N3CCC(COc4ccc(F)cc4Cl)CC3)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYMBOQJFQLUKD-UHFFFAOYSA-N", "SMILES:O=C1COCC(CCC(=O)N2CCC(COc3ccc(F)cc3Cl)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWBGFHQJGRBNZ-UHFFFAOYSA-N", "SMILES:O=C1CCC(CCC(=O)N2CCC(COc3ccc(F)cc3Cl)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGLVDKDFDZSFKB-UHFFFAOYSA-N", "SMILES:O=C1CCC(COC(=O)N2CCC(COc3ccc(F)cc3Cl)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWBGFHQJGRBNZ-OAHLLOKOSA-N", "SMILES:O=C1CC[C@H](CCC(=O)N2CCC(COc3ccc(F)cc3Cl)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWBGFHQJGRBNZ-HNNXBMFYSA-N", "SMILES:O=C1CC[C@@H](CCC(=O)N2CCC(COc3ccc(F)cc3Cl)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKOYUHVQRHBHLF-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CN(C(=O)N3CCC(COc4ccc(F)cc4Cl)CC3)C2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIALCDHWYVFGB-LDTOLXSISA-N", "SMILES:O=C1CC[C@]2(C[C@H](C(=O)N3CCC(COc4ccc(F)cc4Cl)CC3)C2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIALCDHWYVFGB-OYOVHJISSA-N", "SMILES:O=C1CC[C@]2(C[C@@H](C(=O)N3CCC(COc4ccc(F)cc4Cl)CC3)C2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSYTHGPTJFVMM-XVDXERDNSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CCC(COc3ccc(F)cc3Cl)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSJMATXWIJBMK-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CCN(C(=O)N3CCC(COc4ccc(F)cc4Cl)CC3)C2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZQNDFVNYSEMP-NXHRWCDGSA-N", "SMILES:CC1(COc2ccc(F)cc2Cl)CCN(C(=O)[C@H]2C[C@]3(COC(=O)N3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCYCKJENKBPPV-CBGQLJJTSA-N", "SMILES:CC(Oc1ccc(F)cc1Cl)C1CCN(C(=O)[C@H]2C[C@]3(COC(=O)N3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCQFCIKIALUFW-CPAPOSNUSA-N", "SMILES:CCC(Oc1ccc(F)cc1Cl)C1CCN(C(=O)[C@H]2C[C@]3(COC(=O)N3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFZFDBPVRTNTL-LWZYLAOWSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CCC(C(Oc3ccc(F)cc3Cl)C(F)(F)F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWJGYOZWORYTF-XVDXERDNSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CCC(OCc3ccc(F)cc3Cl)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRHSTFGOPIBDG-OYYWDYFJSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CCC(OCc3ccc(F)cc3Cl)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVLAKIBROLTHA-BRALGJKDSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CCC(COc3ccc(F)cc3Cl)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKYVUKVPFEZPK-OYHSWFHJSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(COc3ccc(F)cc3Cl)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWRHRDBKRVMKAQ-OYHSWFHJSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(F)cc3Cl)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRBUSISXLIJSCD-QGGXVJLZSA-N", "SMILES:Cc1ccc(COC2CN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMUBEQHHYUJCPD-OYHSWFHJSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(Cl)cc3Cl)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHELBEOECMDYMQ-OYHSWFHJSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(C(F)(F)F)cc3Cl)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFACQWTPCCHOF-OYHSWFHJSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(C(F)(F)F)c(Cl)c3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKKBXIIEVRUESI-OYHSWFHJSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(Cl)c(Cl)c3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBHYCHPWZPGAH-QGGXVJLZSA-N", "SMILES:Cc1ccc(COC2CN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYQDRMATTARPOL-OYHSWFHJSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(C(F)(F)F)c(C(F)(F)F)c3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRPMMGWUWKVBJ-OYHSWFHJSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(Cl)c(C(F)(F)F)c3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKUOCFAZDPZFZ-QGGXVJLZSA-N", "SMILES:Cc1ccc(COC2CN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUODFMYWRNSQGI-QGGXVJLZSA-N", "SMILES:Cc1cc(COC2CN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOHCMYGUXYDMPV-QGGXVJLZSA-N", "SMILES:Cc1cc(COC2CN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPKBFYQQCDCKTK-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4ccncc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIANPDDXTLFICP-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4cnccc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDRNYOAEJMLAL-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4ncncc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQHBSKLTBOAVOK-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4cncnc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZPOOFWCGRUFTM-UHFFFAOYSA-N", "SMILES:O=C1NCC2C=CC(c3c[nH]c4ccccc34)=CC2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJDIMIGNHUVQU-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4n[nH]nc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCKZNNNHJDXOHT-UHFFFAOYSA-N", "SMILES:Nc1c(-c2c[nH]c3ccccc23)ccc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSXKMWFQAJPRGJ-UHFFFAOYSA-N", "SMILES:Cn1nnc2ccc(-c3c[nH]c4ccccc34)c(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNHOBYCPLVAEIW-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3cnc4[nH]nnc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPSKTIVVWZZET-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1c(-c2c[nH]c3ccccc23)ccc2nn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDAZAINDJSUST-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(-c3ccc4[nH]nnc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAMPUFPSOWWKS-UHFFFAOYSA-N", "SMILES:FC(F)(F)Cn1nnc2cc(-c3c[nH]c4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSECOCRNMXVUGQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)Cn1nnc2ccc(-c3c[nH]c4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNVPYPBYZNFQOS-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4c(c3)nnn4CC3CC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLOWPHDUHQFOW-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4nnn(CC5CC5)c4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWMNIVQWMHWOTB-UHFFFAOYSA-N", "SMILES:NC(=O)Cn1nnc2cc(-c3c[nH]c4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARANKMFLRVYAIW-UHFFFAOYSA-N", "SMILES:NC(=O)Cn1nnc2ccc(-c3c[nH]c4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDDWSVPUEICVMK-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nnc2cc(-c3c[nH]c4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWPOXKWCNIEJHI-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nnc2ccc(-c3c[nH]c4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVZYCWRMRETKI-UHFFFAOYSA-N", "SMILES:CN(C)CCn1nnc2cc(-c3c[nH]c4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIVLBDIBRHKFNH-UHFFFAOYSA-N", "SMILES:CN(C)CCn1nnc2ccc(-c3c[nH]c4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBNVQLQXDSGNV-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4c(c3)nnn4CC3CCOC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUWSQISNVLCMTI-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4nnn(CC5CCOC5)c4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFYFZTUTGVRVPN-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4c(c3)nnn4CC3CCCO3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTMIFWYXYDFJY-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4nnn(CC5CCCO5)c4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNMFEUSRBKSIAG-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4c(c3)nnn4CCN3CCOCC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNNXDKKIUGLBRY-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4nnn(CCN5CCOCC5)c4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBQLAWNYPHEUQJ-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4c(c3)nnn4CC3CCNCC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWXIFPGKLWYOV-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4nnn(CC5CCNCC5)c4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKJQCHKYMPZSR-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4c(c3)nnn4CC3CCNC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSWTMGQKFVGAO-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4nnn(CC5CCNC5)c4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYUKRGUWSXQFQM-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4c(c3)nnn4CCN3CCNCC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVHLCAWUKSDHN-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4nnn(CCN5CCNCC5)c4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBMXBXPSXUWBK-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(-c3ccc4nnn(CCN5CCNCC5)c4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZHIWENXJPDIOV-UHFFFAOYSA-N", "SMILES:OCC(O)Cn1nnc2cc(-c3c[nH]c4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKCFWGGQPMVMS-UHFFFAOYSA-N", "SMILES:OCC(O)Cn1nnc2ccc(-c3c[nH]c4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYIIYUYSRRMECT-UHFFFAOYSA-N", "SMILES:Cn1nnc2cc(-c3c[nH]c4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL355606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSDQTBCNYWBMX-ONEGZZNKSA-N", "SMILES:Fc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGLVQPMFIGBUNR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cn1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYEFJKRTJUALOK-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)c1nccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOBINHQHMGZFDI-UHFFFAOYSA-N", "SMILES:Cc1cccc(N(C)c2nccc(-c3cnn4ncccc34)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCQMRJJBSDRNE-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXNJRTBQYGIJON-UHFFFAOYSA-N", "SMILES:CNc1nccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFLBFWBMAWIBBZ-UHFFFAOYSA-N", "SMILES:CN(C)c1nccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAIXSJCARVACKE-UHFFFAOYSA-N", "SMILES:CN(c1nccc(-c2cnn3ncccc23)n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTYJNHWPLZLMSD-UHFFFAOYSA-N", "SMILES:CC(C)N(c1nccc(-c2cnn3ncccc23)n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSQKYBPMUJWQQM-UHFFFAOYSA-N", "SMILES:CCCN(c1nccc(-c2cnn3ncccc23)n1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOBQLYUBROPJX-UHFFFAOYSA-N", "SMILES:CCCN(CCOC)c1nccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVJGHBMQKLQYHS-UHFFFAOYSA-N", "SMILES:COCCCN(C)c1nccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMUZBCFZODXMQZ-UHFFFAOYSA-N", "SMILES:CN(CCC(F)(F)F)c1nccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYFXCMSYSRGGCR-UHFFFAOYSA-N", "SMILES:CN(CCCC(F)(F)F)c1nccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTXRQUTGGIOAU-UHFFFAOYSA-N", "SMILES:c1cnn2ncc(-c3ccnc(N4CCC4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJUOOCHDYUHCJ-UHFFFAOYSA-N", "SMILES:CC1(F)CN(c2nccc(-c3cnn4ncccc34)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFAOPPMBIRSOQU-UHFFFAOYSA-N", "SMILES:c1cnn2ncc(-c3ccnc(N4CC5(COC5)C4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYVJHVSKVKURZ-UHFFFAOYSA-N", "SMILES:c1cnn2ncc(-c3ccnc(N4CCC45COC5)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCWGEQVOHIKFJ-UHFFFAOYSA-N", "SMILES:c1cnn2ncc(-c3ccnc(N4CCCC4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCDSZKUJMCDMI-UHFFFAOYSA-N", "SMILES:CC1CCCN1c1nccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVVDEJUWJCIEB-UHFFFAOYSA-N", "SMILES:CC1(C)CCCN1c1nccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXADAXCTIOUNBQ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nccc(-c3cnn4ncccc34)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRBIOIPQJXIHBB-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(c2nccc(-c3cnn4ncccc34)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXADAXCTIOUNBQ-NSHDSACASA-N", "SMILES:C[C@H]1CCN(c2nccc(-c3cnn4ncccc34)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXADAXCTIOUNBQ-LLVKDONJSA-N", "SMILES:C[C@@H]1CCN(c2nccc(-c3cnn4ncccc34)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKSUQYBSSCMMB-JTQLQIEISA-N", "SMILES:F[C@H]1CCN(c2nccc(-c3cnn4ncccc34)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKSUQYBSSCMMB-SNVBAGLBSA-N", "SMILES:F[C@@H]1CCN(c2nccc(-c3cnn4ncccc34)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJQYAXRVIGRFHM-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2nccc(-c3cnn4ncccc34)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSDMYDAAAYXDZ-JTQLQIEISA-N", "SMILES:N[C@H]1CCN(c2nccc(-c3cnn4ncccc34)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSDMYDAAAYXDZ-SNVBAGLBSA-N", "SMILES:N[C@@H]1CCN(c2nccc(-c3cnn4ncccc34)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVBZUQLJBHDTLR-UHFFFAOYSA-N", "SMILES:c1cnn2ncc(-c3ccnc(N4CC5CC5C4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDDWXBGSTKBECG-UHFFFAOYSA-N", "SMILES:c1cnn2ncc(-c3ccnc(N4CC5CCCC5C4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSADRSPUCCJIAY-UHFFFAOYSA-N", "SMILES:c1cnn2ncc(-c3ccnc(N4CCC5CNCC54)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSMMCQNPLIJBQT-UHFFFAOYSA-N", "SMILES:c1cnn2ncc(-c3ccnc(N4CCC5(CCOC5)C4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBHGWPSPBVJBDW-UHFFFAOYSA-N", "SMILES:Cc1nn2ncccc2c1-c1ccnc(N(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLILZTCHKQJCIK-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(-c3ccnc(N(C)C)n3)cnn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJOHQDKCQQIBQV-UHFFFAOYSA-N", "SMILES:Cc1cnn2ncc(-c3ccnc(N(C)C)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEBFYSPCHDFVBX-UHFFFAOYSA-N", "SMILES:Cc1ccnn2ncc(-c3ccnc(N(C)C)n3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRKPMAAJUNEYGE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3ccnc(N(C)C)n3)cnn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLEOACUDKYLNIV-UHFFFAOYSA-N", "SMILES:COc1ccnn2ncc(-c3ccnc(N(C)C)n3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXOVPJCCPREHU-UHFFFAOYSA-N", "SMILES:CN(C)c1nccc(-c2cnc3ncccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHJSNANPMOOSEU-UHFFFAOYSA-N", "SMILES:CN(C)c1nccc(-c2cnc3ccccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVWNIPNZGDZJV-UHFFFAOYSA-N", "SMILES:CN(C)c1nccc(-c2cnc3cccnn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFDILBUEIFDLGY-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc(-c2ccnc(N(C)C)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBQKVXKGINKRJ-UHFFFAOYSA-N", "SMILES:CN(C)c1nccc(-c2ccc(=O)n(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLJMNJCFXASGOA-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccnc(N(C)C)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQRPUUYNOCHMQZ-UHFFFAOYSA-N", "SMILES:CN(C)c1nccc(-c2c[nH]c3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVJATUQKTZKOKR-UHFFFAOYSA-N", "SMILES:CN(C)c1nccc(-c2cn(C)c3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACCFJISZYHLDOE-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccnc(N(C)C)n2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYJAYOENJJEMC-UHFFFAOYSA-N", "SMILES:CN(C)c1nccc(-c2cnn3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGKMEPJDLXNOFK-UHFFFAOYSA-N", "SMILES:CN(C)c1nccc(-c2c[nH]c3cnccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBKXPJGEAEUBJ-UHFFFAOYSA-N", "SMILES:CN(C)c1nccc(-c2cn(C)c3cnccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJFYKQGYMOQEJ-UHFFFAOYSA-N", "SMILES:CN(C)c1ncc(F)c(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYSDZRVXBRFFP-UHFFFAOYSA-N", "SMILES:COc1cnc(N(C)C)nc1-c1cnn2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXZVQPFXGAULHE-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(Cl)cc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHBUYSUDICTPKE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn3ncccc23)nc(N(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQABNOGOCBJFNV-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cnn3ncccc23)nc(N(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBDGPQSSHDOOC-UHFFFAOYSA-N", "SMILES:CN(C)c1ncc(C(F)(F)F)c(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGVGSCFYIWCEKK-UHFFFAOYSA-N", "SMILES:Cc1cnc(N(C)C)nc1-c1cnn2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXGNVOMMATYOV-UHFFFAOYSA-N", "SMILES:CN(C)c1nc2c(c(-c3cnn4ncccc34)n1)COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBGIFTULGLUUBW-UHFFFAOYSA-N", "SMILES:CN(C)c1ncc(Cl)c(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQUSFXBLGYGHMF-UHFFFAOYSA-N", "SMILES:CN(C)c1ncc(Br)c(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCYHIJCJMPYSP-UHFFFAOYSA-N", "SMILES:CN(C)c1ncc(I)c(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYZOYQLDNJEFU-UHFFFAOYSA-N", "SMILES:CN(C)c1ncnc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQUQNWDUBGLHD-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2cnn3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHWRZPYFKQALZ-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(-c2cnn3ncccc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVJKTOJIQGHSQP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZVGLCHOAKBVGW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTTJHZMNIJQNKF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CC=C(c2ccc3nncn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPMRHXDBDPGKGU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLGAOMYQKGWKBH-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHBJSCOTFPWCC-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSXHHQKQNFGSU-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)Nc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DINHQMAZFSERAX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(NC(=O)c3ccc(S(N)(=O)=O)cc3)cnn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQVQQFTYJPMFE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(NC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cnn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBAWGHCQIJWMH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(NC(=O)NCc3ccc(S(N)(=O)=O)cc3)cnn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZBHZUVIYNBBK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cnn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTHGUKNIARZOBD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(NC(=S)Nc3ccc(S(N)(=O)=O)cc3)cnn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRGSRZYJKDFNW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(NC(=S)Nc3cccc(S(N)(=O)=O)c3)cnn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPDIBARMWLENP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(NC(=S)NCc3ccc(S(N)(=O)=O)cc3)cnn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZYPMLIFHCTDK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)cnn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZWAYNOLMRKBD-CMDGGOBGSA-N", "SMILES:CCOC(=O)c1cnc2c(NC(=O)N/C=C/c3ccc(S(N)(=O)=O)cc3)cnn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYITJGZKUWHQT-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)cnc2c(NC(=O)c3ccc(S(N)(=O)=O)cc3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMIGDCSIWOFIL-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)cnc2c(NC(=O)NCc3ccc(S(N)(=O)=O)cc3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTAGFNDCZQFMIN-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)cnc2c(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDJJDRYBTPHLMF-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)cnc2c(NC(=O)Nc3cccc(S(N)(=O)=O)c3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMDVARAMHFVDHU-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)cnc2c(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGJNUZLHOQESIJ-FCXRPNKRSA-N", "SMILES:COC(=O)COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTIYQIPSAGSBP-BRWVUGGUSA-N", "SMILES:C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFOQXJQFNLUAQC-XTIFALICSA-N", "SMILES:C[C@@H](C(=O)Nc1ccc(F)cc1)C1CCC2C(CCCN2C(=O)c2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNGYCURBOWVNHW-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1)N1CCCC2CC(C3(C(=O)Nc4ccc(F)cc4)CCC3)CCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPYHWCJQELDJKC-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCCC2CC(C3(C(=O)Nc4ccc(F)cc4)CCC3)CCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZJKXGOWZFBPDZ-UHFFFAOYSA-N", "SMILES:Cc1nccc(N2CCCC3CC(C4(C(=O)Nc5ccc(F)cc5)CCC4)CCC32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWDSGNMJJFPDP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C2CCC3C(CCCN3c3ccnc(C(F)(F)F)n3)C2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHOIXKNPWSHKQY-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC2C(CCCN2C(=O)c2cccc(Cl)c2)C1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBMUELSYKYESW-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(Cl)cc1)N1CCC2C(CCCN2C(=O)OC2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKZCUFMTCZNCJI-UHFFFAOYSA-N", "SMILES:Cc1nccc(N2CCCC3CN(C(C)C(=O)Nc4ccc(Cl)cc4)CCC32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQDDNYIMPDZDJ-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(Cl)cc1)N1CCC2C(CCCN2c2ccnc(C(F)(F)F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYNKSAGQZSPYPJ-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(Cl)cc1)N1CCC2C(CCN2C(=O)OC2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBQFXLZHNQKTKY-UHFFFAOYSA-N", "SMILES:Cc1nccc(-n2ncc3c2CCN(C(C)C(=O)Nc2ccc(Cl)cc2)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVNUTZAHAFDQO-HZOYKTJASA-N", "SMILES:O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@H]1[C@@H]2CN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPFXGFIUYTXZRN-SHFWLMCQSA-N", "SMILES:O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)C1CCCN(C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPFXGFIUYTXZRN-VYJAJWGXSA-N", "SMILES:O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPFXGFIUYTXZRN-JAZQRGJZSA-N", "SMILES:O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVZYJLOMKNART-SCDLFQHWSA-N", "SMILES:O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWNOWOWILQUYCR-WNRNVDISSA-N", "SMILES:O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@H]1[C@@H]2CN(C(=O)C3CCCC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLMOVEHHTGXAGG-ZOFXXKQRSA-N", "SMILES:O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@H]1[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDIXPDNUJSEQFO-MWDXBVQZSA-N", "SMILES:O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@H]1[C@@H]2CN(C(=O)N3CCCC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTASFCFUSDLTGY-NNPSNHGLSA-N", "SMILES:C[C@H]1CCCN1C(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N[C@H]1CCN(c2nccn3ccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTASFCFUSDLTGY-WKULXVSPSA-N", "SMILES:C[C@@H]1CCCN1C(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N[C@H]1CCN(c2nccn3ccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWZUJJHRJJVEO-MWDXBVQZSA-N", "SMILES:CC(C)N(C)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N[C@H]1CCN(c2nccn3ccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKWOGKMJMDEEE-BYNSBNAKSA-N", "SMILES:CN(C)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N[C@H]1CCN(c2nccn3ccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJIAHNBJWXGOAI-CAOSSQGBSA-N", "SMILES:CCN(C)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N[C@H]1CCN(c2nccn3ccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOSRQKBBTXJBM-TTZDDIAXSA-N", "SMILES:CCN(C)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N[C@H]1CCN(c2nccc3scnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZPQRQJHSMSUIF-WNRNVDISSA-N", "SMILES:CCN(C)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N[C@H]1CCN(c2nccc3cccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQSTGUDHHBHHP-MWDXBVQZSA-N", "SMILES:CCN(C)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N[C@H]1CCN(c2ncccc2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNRKBTYJGYESS-LJIGWXMPSA-N", "SMILES:CCN(C)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N[C@H]1CCN(c2nccn3nccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEIWXIPRKPROPH-UHFFFAOYSA-N", "SMILES:COc1ccc2cccnc2c1N1CCCN(Cc2csc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUCRVTBTGIZZTG-KMDXXIMOSA-N", "SMILES:CCc1ccn2ccnc2c1N1CCCN(CC2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVHIVLYJQXXIIN-HNNXBMFYSA-N", "SMILES:O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYFTSQHVIUJJR-CADBVGFASA-N", "SMILES:O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)C1CCN(C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFDURPWIFKPENU-UHFFFAOYSA-N", "SMILES:CN1CCCNC(=O)CCCC(=O)NCCCN(C)CCCN2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(CCC1)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBRUAOXTSBFLLQ-UHFFFAOYSA-N", "SMILES:CN1CCCNC(=O)CC(C)(C)CC(=O)NCCCN(C)CCCN2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(CCC1)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRCRRQQZOMLPW-UHFFFAOYSA-N", "SMILES:CN1CCCNC(=O)CC2(CCCCC2)CC(=O)NCCCN(C)CCCN2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(CCC1)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBXCBSLLBALMI-UHFFFAOYSA-N", "SMILES:CN1CCCNC(=O)c2cccc(c2)C(=O)NCCCN(C)CCCN2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(CCC1)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLAPPVIQDLYBA-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(S(=O)(=O)c2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKSINAJGXXUDMA-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQGBQSBORVIGS-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(S(=O)(=O)c2ccc(-c3cccnc3)cc2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPLJXJZXRQDSBL-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(S(=O)(=O)c2ccc(-c3cccnc3OC)cc2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPVYTQOFVYDOJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(S(=O)(=O)c2ccc(-c3ccc(F)nc3)cc2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWLSZCGELBETJN-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(S(=O)(=O)c2ccc(-n3ccccc3=O)cc2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBCBNMJZSQUQN-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(S(=O)(=O)c2ccc(-n3cc(Cl)ccc3=O)cc2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKNZYMYHBMECJ-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOOGLDKJWMVCE-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(S(=O)(=O)c2ccc(-c3ccncc3C)cc2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVAQLZOVQXLZTG-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(S(=O)(=O)c2ccc(-c3cccnc3OC)cc2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDEDUWSKYFVRND-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(S(=O)(=O)c2ccc(-c3ccc(F)nc3)cc2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQVNEUPKHBEUDA-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(S(=O)(=O)c2ccc(-n3ccccc3=O)cc2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNGBUQTJNBKGB-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(S(=O)(=O)c2ccc(-n3cc(Cl)ccc3=O)cc2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLBOTFIVNJQEA-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-n1c(CCC(C)C)nc(=O)c(S(=O)(=O)c2ccc(-c3ccc(F)nc3)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBKZHGIZQTISH-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-n1c(COC(C)C)nc(=O)c(S(=O)(=O)c2ccc(-c3ccc(F)nc3)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXILZKSFQODQM-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(S(=O)(=O)c2ccccc2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLGNPGSXHWXDOA-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(S(=O)(=O)c2ccc(C)cc2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASWCBBNLAGVQQG-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(S(=O)(=O)c2ccc(C3CC3)cc2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPQYDENIDXYUIF-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-n1c(C2CCCC2)nc(=O)c(S(=O)(=O)c2ccc(C3CC3)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUQOFNBOLNRSAK-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-n1c(-c2cncc(C)c2)nc(=O)c(S(=O)(=O)c2ccc(C3CC3)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873876", "category": ["biolink:ChemicalEntity"], "name": "BMS-986224", "xref": ["InChIKey:AGZKELPIAJYRDT-UHFFFAOYSA-N", "SMILES:CCOCc1nc(O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(O)c1-c1c(OC)cccc1OC"], "synonym": ["Bms-986224"]}
{"name": "Apelin receptor", "xref": ["CHEMBL.TARGET:CHEMBL4879524"], "id": "UniProtKB:Q9WV08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIHSTWWXIWYLV-PTYIDMFESA-N", "SMILES:C=CC(=O)N1CCN(c2cc(C(=O)N[C@@H]3CCC[C@H]3N(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLKEUBIQLLDNB-VPUSJEBWSA-N", "SMILES:C=CC(=O)N1CCN(c2cc(C(=O)N[C@H](C)CN3CC(C)(O)C3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFGBZRHSEYNFBW-HAKUHNKFSA-N", "SMILES:C=CC(=O)N1CCN(c2cc(C(=O)NC(C)CN3CCC(C)(O)C3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJNEZKJSOIYOT-UWVRNBGQSA-N", "SMILES:C=C(F)C(=O)N1CCN(c2cc(C(=O)NC(C)CN3CCC(C)(O)C3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXLNVNBZCDAOMP-BVAGGSTKSA-N", "SMILES:C=C(F)C(=O)N1CCN(c2cc(C(=O)N[C@H](C)CN(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXCKRVUWSUXQPT-GEVKEYJPSA-N", "SMILES:C=CC(=O)N1CCN(c2cc(C(=O)NCC3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUSZDKVYRGESJ-RTWAWAEBSA-N", "SMILES:C=CC(=O)N1CCN(c2cc(C(=O)N[C@H](C)CN(C)C)nc3c2CCN(c2c(Cl)c(C)cc4[nH]ncc24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIPAXKPQJFPECZ-FTJBHMTQSA-N", "SMILES:C=CC(=O)N1CCN(c2cc(C(=O)NC[C@H]3CCCN3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZVLYXQGZOBOQ-GEVKEYJPSA-N", "SMILES:C=CC(=O)N1CCN(c2cc(C(=O)NCC3CCCCN3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJMDPIUVBSTPO-HJYWNDIWSA-N", "SMILES:C=CC(=O)N1CCN(c2cc(C(=O)NC3(CC)CCNC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEUVZMZIFQJIDK-HJYWNDIWSA-N", "SMILES:C=CC(=O)N1CCN(c2cc(C(=O)NC3(C)CCCNC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGRNJDAHQQONX-TYPRQIPVSA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMILUDJGLOBTQY-ZVHZXABRSA-N", "SMILES:COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUFNOIZYWXBCNP-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C(=O)C(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNIIHAOUCXNNNE-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C(=O)C1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIKFHXSYUFBSCO-XGCWNURASA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C(=O)C1(F)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENNSFZGAPUOQB-XGCWNURASA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTCAOPXCPIFNE-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPRSXXERVIINI-PVPMGCCUSA-N", "SMILES:CC(=O)N1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSKFCFUMSBKQW-XGCWNURASA-N", "SMILES:CC(C)C(=O)N1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPGKZKGVZSWSOU-XGCWNURASA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBFKJAFZJLIGF-CHAGWJKLSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZUUTPHUBBPMQU-CQGGRAHPSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTWKAJZFKRYWKL-SGANQWHYSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C(C)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISMUSTVEYMUFBA-ANAQZDLVSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)[C@@H](C)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISMUSTVEYMUFBA-DDWQGHIRSA-N", "SMILES:C[C@H](CF)C(=O)N1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOHJMBMJCFTOF-KTHDQMQHSA-N", "SMILES:CC(CO)C(=O)N1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSSCEIKXUCTPMX-CHAGWJKLSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZIDPVDFYHEKDU-SGANQWHYSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLVPQVIQBVJNHS-PUAOIOHZSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2F)N1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLRPIPLWLLBGX-CRICUBBOSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)N1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCBBPIWHOVIJME-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2c(C)nc3c(C)cc(-c4ccc(CN5CCC(O)CC5)cc4)cn23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNALUQZOZWQUMS-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2c(C)nc3c(C)cc(-c4ccc(CN5CCN(CCO)CC5)cc4)cn23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOKNFUHDJWMOPQ-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCCCC4)cc3)cn2c1NC(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEYPDSOLZJBNPZ-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCCC4)cc3)cn2c1NC(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBBXQJEZTWCRM-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCOCC4)cc3)cn2c1NC(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSRDJVNBEXMSPZ-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCC(O)CC4)cc3)cn2c1NC(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMRCVKYQHSFMQ-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(CC)CC4)cc3)cn2c1NC(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEXSQVDKSHZBNQ-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCC(O)CC4)cc3)cn2c1NC(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRDOMOOLOSZFJ-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(C)CC4)cc3)cn2c1NC(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRJCQMOWTNRMPX-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCOCC4)cc3)cn2c1NC(=O)NCc1ccc(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONJOWMAPSGSKR-VWLOTQADSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCC[C@H]4CO)cc3)cn2c1NC(=O)NCc1ccc(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYXHSVMIWQBSG-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCC(O)CC4)cc3)cn2c1NC(=O)NCc1ccc(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMXYBFGUVQTRCZ-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(CCO)CC4)cc3)cn2c1NC(=O)NCc1ccc(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOUWBJQICGAAFH-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(C(=O)N4CCCCC4)cc3)cn2c1NC(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKGXKSRWFCHRJ-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cn2c1NC(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQZHIJHBRDMEGH-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(C(=O)N4CCC(O)CC4)cc3)cn2c1NC(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKQFQEREVWYPQU-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cn2c1NC(=O)NCc1ccc(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBBKYMPKKDNHU-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(C(=O)N4CCC(O)CC4)cc3)cn2c1NC(=O)NCc1ccc(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNODSKITXADJM-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2ccc(F)c(F)c2)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVGDHALTWPBLH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C)n(S(=O)(=O)Oc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMJOOIJDGJQIL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C)n(S(=O)(=O)Oc3ccc(I)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEPLDXFZWRLVPL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C)n(S(=O)(=O)Oc3ccccc3I)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AANGRZCRYIIUFF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C)n(S(=O)(=O)Oc3ccccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLLOJCBWDXQKT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C)n(S(=O)(=O)Oc3ccc(C)c(C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVBAASHJCCVHP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(F)cc2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVEHWXBFUUBDTJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(Cl)cc2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRNGPEPQEIASBP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNCXKMYDUWVGE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(F)(F)F)cc2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTPHLKJDJLJBU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)n(S(=O)(=O)Oc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UITXZWRIBMTJMC-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cc(C)n(S(=O)(=O)Oc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFPPLQMJWSZIE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C)n(S(=O)(=O)Oc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLFHXRJRRAMKKQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2Cl)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWYMISGOLFITQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(C)n(S(=O)(=O)Oc3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPJNEMRSPBHPTF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(Cl)c2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXSRFMNVOHSMLH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)nn1S(=O)(=O)Oc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBVAWDCBCZGWCN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)nn1S(=O)(=O)Oc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPKEBWIJODVLK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(C)C)n(S(=O)(=O)Oc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIFMMFGBTNFUSW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccccc3)n(S(=O)(=O)Oc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXGPKSQPCFXRN-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMUTOCYDPZXJF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccncc2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLQOJRWVMDMWKL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccnc2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAFMYDDTIQEFO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccn2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUSEHQOPLDWPU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccn2)nn1S(=O)(=O)Oc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRPJLVMXBTYQL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccco2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPGDAVSCCABBPT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccco2)nn1S(=O)(=O)Oc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARUBOWTBZTXSA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3ccccc3c2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDZJUDGWLGVKZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccccc1Cl)n1nc(-c2ccccc2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYCCRRLJTNDQON-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccs2)nn1S(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249453", "category": ["biolink:ChemicalEntity"], "name": "7-(R/S)-HYDROXYLAMELLARIN A", "xref": ["InChIKey:RYIBSKICTMDCHH-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1ccc(O)cc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4858727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXOBAQLQTOHQGC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(Nc4ccc5nc[nH]c5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXCCGYHGFGNLZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nccc(Nc3ccc4nc[nH]c4c3)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTUPVARQFXAIR-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncc([N+](=O)[O-])c(Nc3ccc4nc[nH]c4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFDSDWTTASZNC-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRCRTVGRSJUFY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABBJYLAXCLSIBE-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(NC(=O)CSc3nc4ccccc4n4cnnc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULUANQVVKFMLTL-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJDTWMIQHFJHHO-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHJBDPLYEDYPPR-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(C(=O)Nc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFAVZONVWGLJFB-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZLGEKXFYQMLQZ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(C(=O)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTIHSNLZXCWXJJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(C(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIYRQPXZCVSPK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(C(=O)NNc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXGLGPXYRBKCTC-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWGXNYZEOVNNR-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQRWTLHMUPOEAN-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRSBQHVZVUADSP-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(NC(=O)Cn3c(=O)c4nncn4c4ccccc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXFGYMPXLIBSKZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)Cn2c(=O)c3nncn3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRLSKIBTDZRRRX-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOBMNKTHABZHV-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRALYDZPBLQOG-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZAHPRDBSJODSQ-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCNUEXSSRMZMBE-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAHDDZHXTOEDCV-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXQGHOPVODNPD-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWAWCURQIZFSV-VQHVLOKHSA-N", "SMILES:COc1cccc(CN2CCN(C(=O)/C=C/c3ccc(O)c(OC)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOEIPNXNSLZWSF-UXBLZVDNSA-N", "SMILES:COc1ccc(CN2CCN(C(=O)/C=C/c3ccc(O)c(OC)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGFULWWYVZUOTH-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCESATJMEGZLEK-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3cccc(F)c3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHIHOQVQVDBRM-WEVVVXLNSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRBOZMXARYISY-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCC(=O)Nc2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVIGIFUFGSHWDX-VQHVLOKHSA-N", "SMILES:COc1cccc(NC(=O)CCNC(=O)/C=C/c2ccc(O)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJLZXQPGFGKYKG-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCC(=O)Nc2ccc(Cl)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZLZUMSNYZMQL-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)NCCc2c[nH]c3ccccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDZYHULYKCNQFT-XBXARRHUSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CNC(=O)/C=C/c3ccc(O)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYIPLAHDKDNEPE-XVNBXDOJSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIODEVUKWPGMRZ-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3C)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWXPCFDLVPCKH-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3cccc(C)c3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMBEXLYUZMZHT-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(C)cc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZMPRWUXMXDAFP-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3Cl)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKGCRJKEJOGFU-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3C#N)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTXYKGJQYRLHRX-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3cccc(C#N)c3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNECINCGFRAVIE-WEVVVXLNSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERCFZRVVIDLPB-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3F)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZJAPDJFVDHSZ-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDSQEOVTDXHPCA-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRNRPRCFZQDNV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFQVSGYNPFMKJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Br)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTGASJAMHPBSM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTYKOBZQWNSGSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGAWOBRNOXIXQL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYFLHEBKOKICKI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEWPYADBMKCEPF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMLTQDSEDWCIW-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)c2ccn(Cn3cc([N+](=O)[O-])cn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYDLUUXRPMUYAP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCJHDNCKRRNLH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1Cl)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLEXBAAJPQPPTN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAAKYOVZHBOFEV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)c1ccn(Cn2cccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYSNPLNFKNYKDY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)c1ccn(Cn2cnc([N+](=O)[O-])c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHCTTWEUFWTLU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)c1ccn(Cn2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZQVCISCMMFBG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)c1ccn(Cn2ccc([N+](=O)[O-])c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQYMXLPIZIZOLT-UHFFFAOYSA-N", "SMILES:Cl.Nc1cnn(Cn2ccc(C(=O)Nc3ccc(Br)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPVBWFABOLBAQN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cnn(Cn2ccc(C(=O)Nc3ccc(Br)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYTPURZIQUWYQR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cnn(Cn2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWCTOLAXBIRBI-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cnn(Cn2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFUNNZASVIQPGL-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cnn(Cn2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATKARCDMBQCOAE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cnn(Cn2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFBFAKOZNVIQP-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cnn(Cn2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHXKFEOBTAANKG-UHFFFAOYSA-N", "SMILES:CCCNc1cnn(Cn2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXZDUINLYESDQ-UHFFFAOYSA-N", "SMILES:C#CCCCC1(CCC(=O)Nc2cnn(Cn3ccc(C(=O)Nc4ccc(C(F)(F)F)cc4)n3)c2)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNULEGDCPYONBU-CFSAKFKISA-N", "SMILES:CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@@H](C)O)O1)[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4869852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZLISNAGGXWHX-SNAWJCMRSA-N", "SMILES:O=C(c1ccc(OCCNC/C=C/C(=O)N2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGZGICJIHWBYTE-OWOJBTEDSA-N", "SMILES:O=C(c1ccc(OCCNC/C=C/C(=O)N2CCOCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYIJENZQOCDLV-SNAWJCMRSA-N", "SMILES:O=C(c1ccc(OC2CN(C/C=C/C(=O)N3CCCCC3)C2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRKAAJDBZMKHE-SANMLTNESA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)c(C(=O)N2CCSCC2)c1)[C@@H]1CCCN1c1nc(Nc2cc(F)cc(F)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NITCPVNFDWVAFL-MHZLTWQESA-N", "SMILES:CN1CCN(C(=O)c2cc(NC(=O)[C@@H]3CCCN3c3nc(Nc4cc(F)cc(F)c4)ncc3Cl)ccc2N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMJSHYFDSZRXBO-VWLOTQADSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN3c3nc(Nc4cc(F)cc(F)c4)ncc3Cl)cc2C(=O)N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZIBMWIIYQHEQI-MHZLTWQESA-N", "SMILES:CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN3c3nc(Nc4cc(F)cc(F)c4)ncc3Cl)cc2C(=O)N2CCSCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIAXUWZVCYGXKO-UHFFFAOYSA-N", "SMILES:CC1Sc2ccc(C(=O)NO)cc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSVFMBZKMKUPQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(C(=O)NOCc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLAPOEIECXFUIX-UHFFFAOYSA-N", "SMILES:CN1CCN(NC(=O)c2cccc(C(=O)NO)c2)CC1"]}
{"name": "Histone deacetylase 8", "synonym": ["histone deacetylase"], "xref": ["CHEMBL.TARGET:CHEMBL3797017"], "id": "UniProtKB:A5H660", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6183"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQJYIXAKHPKTG-UHFFFAOYSA-N", "SMILES:CCCCCCC(=O)N(O)C1CC(=O)C(c2ccc(Cl)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIJSVHGZTZLHT-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1ccccc1Oc1c(Cl)cccc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOPNSVKBMZZEHH-BJMVGYQFSA-N", "SMILES:O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1)NO"]}
{"name": "ATP-diphosphohydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL4879549"], "id": "UniProtKB:Q7YTA4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6183"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKMTTZCMSYZLQW-UHFFFAOYSA-N", "SMILES:CCNc1sc(Br)c([N+](=O)[O-])c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQDBMGNDSYELAE-UHFFFAOYSA-N", "SMILES:COC(=O)CS(=O)(=O)c1nnc(C(Cc2ccccc2)NC(=O)OC(C)(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1428415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPQBOAMFAPZDO-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWZQPFHFHOHGP-UHFFFAOYSA-N", "SMILES:O=c1c(Cl)c(-n2cc(CO)nn2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1439384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRKWNRUVAZZHPH-UHFFFAOYSA-N", "SMILES:COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMIWCUCAILKJOF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C(=O)OCC)C1=C(Br)C2=NOC3c4ccccc4C(=O)C(=C1)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1486739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPBMCYGOUABQS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTVJWDVMLBBGO-ZMYBAQITSA-N", "SMILES:CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](OC(=O)CCCC(=O)Nc4ccc(N6CCOCC6)c(F)c4)C=CC(=O)[C@]35C)[C@@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLPXOWZTDPJPHC-HSTQIINISA-N", "SMILES:CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4870238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMWAKJAIKDULD-MFNLUXISSA-N", "SMILES:CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](OC(=O)CCCC(=O)Nc4ccc(N(C)C)cc4)C=CC(=O)[C@]35C)[C@@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIIRVUGZYRAIC-RRNMIVENSA-N", "SMILES:COc1ccc(NC(=O)CCCC(=O)O[C@H]2C=CC(=O)[C@]3(C)[C@H]4CC[C@]5(C)C([C@H](C)[C@H]6CC(C)=C(C)C(=O)O6)=C[C@H](OC(C)=O)[C@]5(O)[C@@H]4C[C@H]4O[C@]243)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVRCPQGQTFMFEP-YXQRZMNISA-N", "SMILES:CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](OC(=O)CCNc4ccc(N6CCOCC6)c(F)c4)C=CC(=O)[C@]35C)[C@@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKIOABIHIISPN-IMIVIWGFSA-N", "SMILES:COc1ccc(N/C=C/C(=O)O[C@H]2C=CC(=O)[C@]3(C)[C@H]4CC[C@]5(C)C([C@H](C)[C@H]6CC(C)=C(C)C(=O)O6)=C[C@H](OC(C)=O)[C@]5(O)[C@@H]4C[C@H]4O[C@]243)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKPBRBQYYVKPH-JUPFKXLVSA-N", "SMILES:CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](OC(=O)/C=C/Nc4ccc(N6CCOCC6)c(F)c4)C=CC(=O)[C@]35C)[C@@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAQHCWUOYDUPLI-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c(SCc3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXDHAXCATQUMON-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c(SCc3cccc(F)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBDRBOMJMIFCN-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(=O)n(-c3ccccc3)c(SCc3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMRMXRIKNIDPW-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2nc(SCc2cccc(F)c2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFAVIJUAZHGTDI-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c(OCc3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRXYDNPOGUENB-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c(CSc3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLJFGFLWQWLPC-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c(COc3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABEDOENBIFRRGQ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c(CNc3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAGQCXSHYTVSPV-ZHACJKMWSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c(/C=C/c3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOUSHKXYCFIKLF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c(CCc3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSVGCWZYHYDOF-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPNRKXZLIGUCT-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPNRKXZLIGUCT-CQSZACIVSA-N", "SMILES:C[C@@H](Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPNRKXZLIGUCT-AWEZNQCLSA-N", "SMILES:C[C@H](Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSQLMSLDSIMMV-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c(SC(C)(C)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZUXSRRZFTERS-UHFFFAOYSA-N", "SMILES:CCC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPVOMFSRGWGDAC-UHFFFAOYSA-N", "SMILES:CC(C)C(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKAURZGBNMBQLV-UHFFFAOYSA-N", "SMILES:CC(Oc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOQKRFCRCAEQR-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c3c(c21)C(=O)C(c1ccccc1)S3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNIKTKHHFHVUMH-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c3c(c21)C(=O)CC(c1ccccc1)S3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBLLSPTWXPJSPW-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c3c(c21)C=CC(c1ccccc1)S3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGGDGDTSVXBMC-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAHVITWUWDKSAN-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHYGHCQWOSGHW-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEXMHUDIGWGWFU-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTSMRTUJWIBZAN-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSOWZJJIJXMCF-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(C)Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZRKMUUJUQIHKM-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C)Sc2nc3c(cnn3C)c(=O)n2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDNMPWCUSCLGMD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)Sc2nc3c(cnn3C)c(=O)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXENUIKHQIZUDG-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CO)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDLSTYFDFDODX-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CCO)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBYYWHNJSYBLSJ-UHFFFAOYSA-N", "SMILES:O=c1c2cn(C3COC3)nc2nc(SCc2cccc(F)c2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWBDDUSPUZMGD-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2nn(CC3COC3)cc2c(=O)n1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWAWTVKYACVDV-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2nn(C3COC3)cc2c(=O)n1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNWQYZJEBKIGQP-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2nn(C3COC3)cc2c(=O)n1-c1ccccc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFOTNAJJQOSDU-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2nn(C3COC3)cc2c(=O)n1-c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWMCWVIVQIVDB-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2nn(C3(C)COC3)cc2c(=O)n1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVSIPXTVYPLAZ-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(C#N)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZNNQSDFVEPEO-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(-n2c(SC(C)c3ccccc3)nc3c(cnn3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXZZQHQVABTAE-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(=O)n(-c3ccccc3)c(NCc3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFSRBAWCHKAQW-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHSZBCMXZHYDI-UHFFFAOYSA-N", "SMILES:COCc1ccc(-n2c(SC(C)c3ccccc3)nc3c(cnn3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGAWUSJPTVXLS-UHFFFAOYSA-N", "SMILES:COCCc1ccc(-n2c(SC(C)c3ccccc3)nc3c(cnn3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKFYLBISFYNCN-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CN)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNEFKGPUCQSDEG-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-n2c(SC(C)c3ccccc3)nc3c(cnn3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQXOGXDHADXSI-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CN(C)C)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKUBZGLFVWMMFD-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CCN)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEFYTRRGYXTGL-UHFFFAOYSA-N", "SMILES:CNCCc1ccc(-n2c(SC(C)c3ccccc3)nc3c(cnn3C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVNICGGLWRNAF-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CCN(C)C)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIXZFNIBMHEUJH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2-c2ccc(C3(C#N)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAQWEFXQNVGTIF-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cccc2ccccc12)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAIIMUAZGCLUNU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROBDTWJJKNBLJP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVJWTMEMYMSTO-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)Cc1ccccc1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQOVYAIEYDBSI-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDRRUYBIKEVNW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUWIVEROLJCNHO-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)Cc1ccccc1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTRGONFVDLXQSG-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZJRJRLJFXOST-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)Cc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDANKAMBOAKJP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNIKJBLQDSLDOQ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)N(Cc2ccc(C(=O)NO)cc2)C(C)(C)C(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNMMNZOLEVDAAD-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)N(Cc2ccc(C(=O)NO)cc2)C(C)(C)C(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPNSSPYXHJHFRL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)N(Cc2ccc(C(=O)NO)cc2)C(C)(C)C(=O)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTMYGNGUMISIX-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWASMOAQPQGHI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(=O)N(CC(=O)N2CCCCC2)Cc2ccc(C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUCTOUZFCBPHL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(=O)N(CC(=O)N(C)C)Cc2ccc(C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETSGBKTQVYEAV-OEKFVFTMSA-N", "SMILES:CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(=O)c1cc(C)cc(O)c1C(=O)c1c(O)cccc1O)CC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4872191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBDKMSGGGCNAI-WVHVKVEVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVDRDHLUVVGURR-LWMCYQQMSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATDHPNPDBDEQAK-BCTYQQKGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KENYPBNIICIPGS-HTEXDNSUSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)Nc7ccccc7)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUHCJOXGBKXOAM-HVCZEUJQSA-N", "SMILES:COc1ccccc1NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKWTYYGYCGKOT-WBKROQAHSA-N", "SMILES:COc1cccc(NC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVXPBJRDDBVBGD-WBKROQAHSA-N", "SMILES:COc1ccc(NC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSWIRUJEUQCQLC-OFVNEKENSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)Nc7ccccc7Cl)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVRRIKHRPHLFBJ-JWMBHXBUSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)NCc7ccccc7)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCHNAQVUVUNOP-KACSAZHBSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)NCc7cccs7)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFKZRGTUNHEET-NHGIEHMISA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)N(C)Cc7ccccc7)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRYWKKNTCFSGRM-FQCWWPTNSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)NCc7ccccc7F)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLSDEFQNWGODO-FQCWWPTNSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)NCc7ccccc7Cl)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXHHCYPBKZSURV-FQCWWPTNSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)NCc7ccccc7Br)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLKMKQNGSTYHS-CJLXHPNHSA-N", "SMILES:COc1ccccc1CNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHEANAIMNXGLQB-NHGIEHMISA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)NCCc7ccccc7)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSKSULCZQRDIX-DEOFBEDQSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)NCCCc7ccccc7)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSDWVIKUFWLJU-JWMBHXBUSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)OCc7ccccc7)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJWPRRNLSHTRY-VURDRKPISA-N", "SMILES:O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4535964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQFGRIUTNJQSW-SFHVURJKSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CCSC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQOKHWYWSYNBSI-IBGZPJMESA-N", "SMILES:C=C1C[C@@](C)(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZRNJYQTIQFCMR-GOSISDBHSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2ccc(F)c([C@]3(CF)CCSC(N)=N3)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFZDIAKAFRXVOQ-SFHVURJKSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ncc(C#N)cc3Cl)ccc2F)C=CSC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILCHBMXUEANZSX-KRWDZBQOSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C=CSC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3639691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRRHDZGJWFVLLQ-KRWDZBQOSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C=CSC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKYGEVYKGMFLJI-KRWDZBQOSA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2365642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKHSIJFRPDEMHV-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(C)CCSC(N)=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3642624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLATASKTPLNJX-UHFFFAOYSA-N", "SMILES:CC1(c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCSC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUAHLMMBWNMDR-KRWDZBQOSA-N", "SMILES:C[C@@]1(c2cc(C(=O)Nc3ccc(Cl)cn3)ccc2F)CCSC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUOVSPMCJKBJA-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKVLSNZQPNKOF-UHFFFAOYSA-N", "SMILES:Ic1ccc(-c2ncc(OCCC3CCNCC3)nc2-c2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUZJVJMQJVBOIO-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4ccsc4)cc3)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVZILDZTUEBRX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCLBNIDAWQMBEB-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)OCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(COC(=O)C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGWTOWHWWUZAX-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)ccc1-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWXKBVKHXXDHKI-UHFFFAOYSA-N", "SMILES:ONCc1ccc(-c2ncc(OCCC3CCNCC3)nc2-c2ccc(CNO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYADMJMAENDCBG-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3cn[nH]c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQBIXPRZQFYDO-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWTCYXBWWUGXEC-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc3[nH]ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWLNIKROQOYAQD-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAQUPORVOZIIL-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(NCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVPPSTGPCCFZIK-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccc(NCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBAHHGUKMNYZTL-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHQTYLJBMZVELU-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJCZDNMFQRHICM-UHFFFAOYSA-N", "SMILES:Ic1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLCHGDXZIUOABP-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4ccoc4)cc3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXZZWTRYHPVACP-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQJZUTUKEGLEMX-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2ncc(OCCC3CCNCC3)nc2-c2ccc(CO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFADWJZFCAEBH-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXTFWXNGUWICBJ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODRRBMQJAFUCL-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccc(NCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMNTGSOXHQAAV-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2cc(CNCC3CCNCC3)sc2-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSPCIARYHJQCAG-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2nc(N)c(OCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJRXIRGIOXJFK-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2nc(OCC3CCNCC3)c3nccn3c2-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLMOWEPROGSFIP-FQEVSTJZSA-N", "SMILES:NCc1ccc(-c2nc(N3CC[C@H](N)C3)c3nccn3c2-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAGFUKQSXTWWOY-OAQYLSRUSA-N", "SMILES:NCc1ccc(-c2nc(N3CCC[C@@H](N)C3)c3nccn3c2-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBMHJMNVEZFPDY-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWHZHNAQMOLOY-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGVAJVYVTIDEFR-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODPMHPZVGASKS-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRPWIVOILXGMTC-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2nc(OCCC3CCNCC3)cnc2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDVCIFFVMVFIC-UHFFFAOYSA-N", "SMILES:COc1cc(CN)ccc1-c1nc(OCC2CCNCC2)cnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNFHOROBUAAWEH-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHVVNLCEOMVQPL-UHFFFAOYSA-N", "SMILES:NCCNc1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMBCQDARKFELRJ-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-n2cccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIWUSAVSVAIHG-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-n2ccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VISFMXBKFGNJNS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSWSUUERHZSPI-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFXPBTSGOPMAFD-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Oc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGIMERVULCYRPX-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccncc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYYMTNPQYMGLJD-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJRDZGYTGWGAA-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWRVLZEPIZYSD-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFNVTBUSEWVSOB-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc3nc[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZFFSLCSORXQR-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2cccc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFNDDYMLLMUQAJ-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2cc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXJSUFNYLWQTO-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2cccc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIAQNIBBVVOVLK-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(NCC3CCNCC3)nc2C(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XICMXIMHBLNRET-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(NCC3CCNCC3)nc2C(=O)Nc2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KITYPPQUOCHBGZ-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(NCC3CCNCC3)nc2C(=O)Nc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHUBSOVUZAMSRY-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJNSOGZMKLZWMY-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTPPKRHMUPSFDH-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAEQRYYQJGWPQV-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVIKSSYJLTYMI-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2nc(OCCN3CCNCC3)cnc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERAQXXRISRMAW-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBLDHVIBSKNPZ-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(NCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKHKKWTWMGYKY-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(NCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBWWUAFOXXMSN-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(NCC3CCNCC3)nc2C(=O)Nc2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCQAEQQDPBBPO-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(NCC3CCNCC3)nc2-c2ccc(-c3ccsc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHPCCYYAHXPJV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccsc3)cc2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDVIDLHMDUXIPY-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCCCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRZUVWLMJLNHA-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCc3ccccc3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZVKMQKLGJPLO-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIQPSPNNWHVKW-UHFFFAOYSA-N", "SMILES:NCCCOc1cnc(-c2ccc(CN)cc2)c(-c2ccc(-c3ccoc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLNSOXLTDUPGO-UHFFFAOYSA-N", "SMILES:CNCCOc1cnc(-c2ccc(CN)cc2)c(-c2ccc(-c3ccoc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPVZGBMTUKMSCZ-UHFFFAOYSA-N", "SMILES:CC(Oc1cnc(-c2ccc(CN)cc2)c(-c2ccc(-c3ccoc3)cc2)n1)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJCDWZYGFPNSJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNHLJVYPVJADK-UHFFFAOYSA-N", "SMILES:ONCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJQNVWLNNDSLPC-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)ccc1-c1ncc(OCC2CCNCC2)nc1-c1ccc(-c2ccoc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNAJOCVPMPAKR-UHFFFAOYSA-N", "SMILES:NCc1cccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUULVGSVMSNFQQ-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYGKBUDZYBASSF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccoc2)ccc1-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXNQHJKSPVIBK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccoc2)ccc1-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCXRHXJCSROME-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)ccc1-c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTGMYGLDSVSJK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)ccc1-c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSFNTWGGPJLIZ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)ccc1-c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBMJFSKPXFKSF-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(=O)N3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVHBUIYWIBKMQQ-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(=O)N3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJXYIMZGMBURHN-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCOC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYJKWLRSLSBER-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(N3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDQXGCQZMLFFAC-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRPUYPHFSOOMP-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCNCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXRRPMDAOXYRV-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3=CCNCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFBMGNYFAVWEJ-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(N3CCNCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGBBSWMYCDVRLB-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCOCC3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXSRYAWLOUBGNL-DOQHQHIVSA-N", "SMILES:CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)[C@@H](O)[C@H](OC(C)=O)[C@@H]2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAQLJKDOWVEJCN-YPNSCLPHSA-N", "SMILES:CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](O)[C@]1(OC3(C)C)[C@H](C)[C@@H](O)[C@H](OC(C)=O)[C@@H]2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADHMRCSACTLFY-RDBQYKJNSA-N", "SMILES:CC(=O)O[C@@H]1[C@H]2[C@H](O)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@H](O)C[C@@H](C)[C@@]13OC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFNDZHVNJCYSEW-KYJRXYQZSA-N", "SMILES:CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](O)[C@@H]2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBQDHGCEGZUGCK-GYKXWWKQSA-N", "SMILES:CCCCCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@H](C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKFHAVPUIRPMU-QOMLESTBSA-N", "SMILES:CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](O)[C@]1(OC3(C)C)[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYHVMQCJIKTLP-OTOYSWGPSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@H](C)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H]1OC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4097492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDIWSDYRLWGIC-OODQMOGOSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@H](C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4877183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFPVRLYQHPGFKB-PSEIXFMMSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2[C@@H](OC(=O)/C=C/c3ccccc3)[C@]3(OC2(C)C)[C@H](C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDIWSDYRLWGIC-RSWYGVMDSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@H](C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@@H]1OC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4083858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUYERDNJUMWKE-ITECEVMJSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@H](C)C[C@H](OC(=O)/C=C/c2ccccc2)[C@H](OC(C)=O)[C@@]3(C)[C@@H]1OC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4861723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRBFJBZPOXYEE-CUQROXPWSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2[C@@H](OC(=O)c3cccnc3)[C@]3(OC2(C)C)[C@H](C)C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIPYHPAIWOAAM-BFHJBHDXSA-N", "SMILES:CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL511093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYHVMQCJIKTLP-LLWUNBJKSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@H](C)CC[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4857143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYFLMIKBWXAFOA-VICOLCJMSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H]([C@@H](O)[C@H](OC(=O)c4ccccc4)[C@@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKOHRWPECEWRN-IATFNYHPSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2[C@@H](OC(=O)/C=C/c3ccccc3)[C@]3(OC2(C)C)[C@H](C)C[C@H](O)[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYEKMLQQOXNBSD-SAQAUKLZSA-N", "SMILES:CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@@]2(C)[C@@H]1OC(C)=O)[C@H]3OC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL495060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWAUWHSITVGXFR-CRBFZXEMSA-N", "SMILES:CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL493022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPWFAUBYBMXNJ-DMRFDBRWSA-N", "SMILES:CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(=O)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4876031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFMPQUGTWPMRU-HFMLBVIOSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACTVSSBKQMEALS-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(CN2C=Nc3cc(NCCN4CCCC4)ccc3C2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHXHGKAMOMNQMH-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(CN2C=Nc3cc(NCCc4ccccc4)ccc3C2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCHIBASOPRZHRR-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(CN2C=Nc3cc(NCc4ccco4)ccc3C2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBUPRUZTCIPJC-UHFFFAOYSA-N", "SMILES:Nc1cc(Br)ccc1C(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CITWIBXKKHFDFM-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRYGKYWFQIDQT-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADJFROQBJSZLU-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Br)ccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIGSQNKQMCAVJI-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(CN2C=Nc3cc(NCCN4CCCCC4)ccc3C2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLWGRHODQSIMZ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(CN2C=Nc3cc(NCCO)ccc3C2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGLYOLUMKJGPA-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1ccc2c(c1)N=CN(CC1(O)CCN(C(=O)CCc3ccccc3)CC1)C2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBJFOOQXOWGFE-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(CN2C=Nc3cc(NCCN(C)C)ccc3C2O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTNRDSGICSNVJA-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(CN2C=Nc3cc(NCc4ccccc4Cl)ccc3C2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJPZHJFERTVBDS-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Br)c1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASJMBMPSQCUUKN-UHFFFAOYSA-N", "SMILES:Nc1cc(Cl)ccc1C(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBRFICKYRIKFR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSVNVKBQDOKMFJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNc1ccc2c(c1)N=CN(CC1(O)CCN(C(=O)CCc3ccccc3)CC1)C2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSZIFSBJLVEHG-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(CN2C=Nc3cc(NCc4ccc(Cl)cc4)ccc3C2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLWIRWRYHMKIHJ-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(CN2C=Nc3cc(NCCN4CCCC4)ccc3C2O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULDGGXGGUWHLS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWRFUMOJYUGIT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUNLLQUIVRACN-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEVAFQHFJCKDN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXFTCHYIRIKFD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOXDWKPOJEKAV-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHPUFSBOAOYACP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDOMWMJDOPTEV-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCQBCJQXAGNFQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWLKJWNMATVCTJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEWFLAMITTXEF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2CCN(c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXKGUKFZYCIHDP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2CCN(c3cccc(C(F)(F)F)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDKFUWUTYNIIT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2CCN(c3nccs3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOBLHNGDZEPIF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)CNc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNBQRBBZZVNOT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)CNc2cccc(S(N)(=O)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQANWPIUEDIZCE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CNc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIUXWZEBSLPAL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CNc2cccc(S(N)(=O)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHDGOHCUXHUAGX-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)CNc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHPUVIITBFJTH-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CNc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDMNSXYXYCDGM-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CNc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCVBIJISQVNJD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQILTFORVTUIH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXFGJZBVWDJSND-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXABEHPMEDDCEL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPHWFPKZHPQSK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2CCCCCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIPLLIFRYEVFK-UHFFFAOYSA-N", "SMILES:COC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VINMKZJKPGADJD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSQJGIHRTYLNT-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZZGDATUWBDUBQ-UHFFFAOYSA-N", "SMILES:COCCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBZZTSGQZIAUPM-UHFFFAOYSA-N", "SMILES:COCC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHUMMKZACOLZTA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEICKRYAHQBIII-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Nc1cccc(S(N)(=O)=O)c1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTJQQSKLNCAOJH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHZSAEVPTLNXTL-UHFFFAOYSA-N", "SMILES:COC(=O)C(Nc1cccc(S(N)(=O)=O)c1)C(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDKYOVTNWTIPW-UHFFFAOYSA-N", "SMILES:COC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEOHMNZSUMQZKD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JICGEWOPMVTEAI-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C(=O)Nc1cccc(S(N)(=O)=O)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQULTQFGBDUVMH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCKXBZHZKJVAQ-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDFWAYEEMPRHZ-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXLHHYPRJYILKB-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDKMZIHBQJCLY-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=O)C(Cc3ccc(Cl)cc3)=C(Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWAWONHUIYTEK-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=O)C(Cc3ccc(Cl)cc3)=C(Nc3cccc(S(N)(=O)=O)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMQWCPKWNVAKR-UHFFFAOYSA-N", "SMILES:COc1ccccc1CC1=C(Nc2ccc(S(N)(=O)=O)cc2)C(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZACWDDUNYEHEV-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc(S(N)(=O)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCYTZKLYDWCVAN-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOHVPUSQDMDBA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZNFOERODIESGK-QFEZKATASA-N", "SMILES:CSc1ccc(/C=C2\\Oc3cc(OCc4cc(C)c(OC(C)(C)C(=O)O)c(C)c4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSQYRZQLCXWALM-OYKKKHCWSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccccc2)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJCFXHKNKIJEJ-CFRMEGHHSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccc(Cl)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEGJZKJPNSCUIS-CFRMEGHHSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccc(Br)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YABIQYKRBIJZIP-QFEZKATASA-N", "SMILES:Cc1ccc(/C=C2\\Oc3cc(OCc4cc(C)c(OC(C)(C)C(=O)O)c(C)c4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIFYQOYEQOFQRW-DICXZTSXSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccc(C(C)C)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHDGIZKLYZNKF-MXAYSNPKSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccc(C#N)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXQBOOFNAQBFPW-YKQZZPSBSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccc(-c4ccccc4)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRNFJGKBVOEKRP-CFRMEGHHSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccc(C(F)(F)F)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHHXEFVOHDLOTC-CFRMEGHHSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccccc2C(F)(F)F)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXWTDJFLJIUGX-CFRMEGHHSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccc(OC(F)(F)F)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEFTWAROQCHLRU-CFRMEGHHSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccc(SC(F)(F)F)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKTWKFVESBYTJ-NTFVMDSBSA-N", "SMILES:Cc1cc(COc2ccc3c(c2)O/C(=C\\c2ccc4ccccc4c2)C3=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODLOMFXYIDAXGX-QFEZKATASA-N", "SMILES:COc1ccc(/C=C2\\Oc3cc(OCc4cc(C)c(OC(C)(C)C(=O)O)c(C)c4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPRSLKDBVOOEP-YSMPRRRNSA-N", "SMILES:CCOc1ccc(/C=C2\\Oc3cc(OCc4cc(C)c(OC(C)(C)C(=O)O)c(C)c4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZPRIIRFUAMKL-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4cccc(C(F)(F)F)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZHBOJSRGUPRS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4C)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJZIJDYXTYCDV-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnc3[nH]nc(C(=O)c4c(F)ccc(NS(=O)(=O)Cc5ccccc5)c4F)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJFNOYSZJWAFQU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4cccc(Cl)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSNTMUGOPGZBA-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(Cl)c(Cl)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4796760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGGNTAFLMHBQPO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(C(C)(C)C)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTMGCHZMPZZTEW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCc3ccccc3CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKUHCSUQMCHVMU-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQXHVDRLLDPMQG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBVUEKETAJPHZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCOc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHULCWZHWRQEQG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCSc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAKSVWZGFMBZTA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCC[S+]([O-])c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZBMPRPXIKOMN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN(Cc1ccc(C(=O)NO)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTXNHWRLATWZPO-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCN(Cc1ccc(C(=O)NO)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUZBMQIHVBZIH-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)c2c1CCN(Cc1ccc(C(=O)NO)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALYAOCKGZRAFJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC2)c2c1CCN(Cc1ccc(C(=O)NO)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHYRDICZCDYLIV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2)c2c1CCN(Cc1ccc(C(=O)NO)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDUEAVZOHIZHX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCCc3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSTVYVJBPAQFL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCCc3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFBPNIBNORWODE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCCc3ccc(F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRRLJOKIKTUNLL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCCc3ccc(Br)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGPQSCIMKSPGDN-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCCCN2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAGQNEKRKYPVEJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCCN2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJAFZBRNFLMBT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPDJOGLRMYEITN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)N(Cc1ccc(C(=O)NO)cc1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWHMLSNWBVQJG-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCKURIWKBNILJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCCc3ccc(C4CC4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFDVQQVJPQJEH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCCc3ccc(-c4ccccc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3655950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIIWIMDSZVNYHY-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3655978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBURCQQEUNLDL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cnc(NC2(c3cccc(F)c3)CCCCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWPDSBUPCYHSK-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(-c3ccc(F)cc3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNHWYKGUBGPBP-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(-c3ccccc3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZFHVVQTAJYFF-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(-c3ccccn3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDKWHSQKDBNTNC-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(-c3cccc(-c4ccccc4)c3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBVZNPMYAJWUTE-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(Cc3ccccc3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENIAAOCTYOIOE-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(Cc3ccc4ccccc4c3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUKDZYBAJPRAU-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(Cc3cccc(-c4ccccc4)c3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGWITFLYJDMJH-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(Cc3ccc4cnccc4c3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCEPIJYYUSUAFH-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(Cc3ccc4c(c3)CCNC4)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMEMGIBLYWCIPP-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(Cc3cccc(Cc4ccccc4)c3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADSQRCZOUIUKI-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(Cc3cccc(Oc4ccccc4)c3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQUGIXWUNPAOH-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(Cc3cccc(Oc4cccc5c4CNC5)c3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVZNFFSLPNDHRU-KRWDZBQOSA-N", "SMILES:Nc1cc(Cc2ccn(Cc3cccc(O[C@H]4CCNC4)c3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNPNVTWXDESRL-UHFFFAOYSA-N", "SMILES:Nc1cc(Cc2ccn(Cc3cccc(C4CCNCC4)c3)n2)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKZRCHUNHMOAJQ-UHFFFAOYSA-N", "SMILES:Nc1cc(C2CCNCc3cccc(c3)Oc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKDWSQDDZTGDO-UHFFFAOYSA-N", "SMILES:Nc1cc(C2CCNCCc3cccc(c3)Oc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILIVQTKZEKRTHM-UHFFFAOYSA-N", "SMILES:Nc1cc(C2CCNCc3cccc(c3)COc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRFBYKJNZSJDQG-UHFFFAOYSA-N", "SMILES:Nc1cc(C2CCNCc3cccc(c3)OCc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZLIFDTJLQOKE-UHFFFAOYSA-N", "SMILES:Nc1cc(C2CCNCCc3cccc(c3)OCc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXZRUAXMYAVKT-UHFFFAOYSA-N", "SMILES:Nc1cc(C2CCNCC(=O)N(CCc3ccccc3)Cc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPXJLLGWDVECQS-UHFFFAOYSA-N", "SMILES:Nc1cc(C2CCNC3CCC(CC3)COc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKISVGFXKHEGMY-UHFFFAOYSA-N", "SMILES:Nc1cc(C2CCNCC3(CCCC3)COc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWRGWLPPHNREOZ-UHFFFAOYSA-N", "SMILES:Nc1cc(C2CCNCCc3cccc(c3)-c3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHAMDGKRYLAXHV-FHSOZRLXSA-N", "SMILES:Nc1cc(C2CCNC34CCC(c5ccccc5)(CC3)[C@H](C4)Oc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZDBWGCCPWIFEF-NTYBTQPHSA-N", "SMILES:Nc1cc([C@H]2CCN[C@H]3C[C@H](Cc4ccccc4)[C@@H](C3)Oc3cccc(c3)Cn3cc2cn3)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAONXSBDABQFAF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-n3c(-c4ccc(C)s4)cc4cnc5[nH]ccc5c43)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCLMLGHCBIXRH-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-n2c(-c3cccs3)cc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYZULNNIBJFMSM-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-n2ccc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSATRPSVBYFAY-UHFFFAOYSA-N", "SMILES:N#CCCCn1cc(-n2ccc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKPOKBDWZOLSQT-UHFFFAOYSA-N", "SMILES:FC(F)(F)CCCn1cc(-n2ccc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZOIEFIDJQJNID-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3cnc4[nH]ccc4c3n2-c2cnn(CCCC#N)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBIQDGVUVQVYNY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-n3ccc4cnc5[nH]ccc5c43)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWXCNDOGUYIJDE-UHFFFAOYSA-N", "SMILES:N#CCCCCn1cc(-n2ccc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTDGZAVLIRYSMW-UHFFFAOYSA-N", "SMILES:Cc1cc2cnc3[nH]ccc3c2n1-c1cnn(CCCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNOUFKKTJMWZBZ-UHFFFAOYSA-N", "SMILES:N#CCCCn1cc(-n2c(C3CC3)cc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMMJCLHMFIELU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-n3c(-c4ccc(CO)o4)cc4cnc5[nH]ccc5c43)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPCTDIJTCSBPX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-n3c(-c4cccs4)cc4cnc5[nH]ccc5c43)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDIQRKQRVCXOTR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-n3c(-c4ccc(C)o4)cc4cnc5[nH]ccc5c43)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPMZZFVULOVJAP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CC(CC#N)(n2cc(-n3c(-c4ccc(CO)o4)cc4cnc5[nH]ccc5c43)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSEDMRMXUWCKCX-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)N1CC(CC#N)(n2cc(-n3c(-c4ccc(CO)o4)cc4cnc5[nH]ccc5c43)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEZWTOOPWPTMC-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-n2c(-c3ccc(CO)o3)cc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEZRCXPZFMLICL-UHFFFAOYSA-N", "SMILES:N#CCn1cc(-n2c(-c3ccc(CO)o3)cc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZINQMQWRJFSFA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3cnc4[nH]ccc4c3n2-c2cnn(CCC#N)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOWONJTXTATJHK-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-n2c(-c3cccc(O)c3)cc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZQMUXXGGUOCJI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3cnc4[nH]ccc4c3n2-c2cnn(CCC#N)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRXMSDLMTFQKTC-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-n2c(-c3ccccc3Cl)cc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJZVMNCBGFXTEM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc3cnc4[nH]ccc4c3n2-c2cnn(CCC#N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYYQXGVWKMFKQA-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-n2c(C(F)(F)F)cc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWKNAFWXOMRAMD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3cnc4[nH]ccc4c3n2-c2cnn(CCCC#N)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQTWUVXNDKRBL-UHFFFAOYSA-N", "SMILES:N#CCCCn1cc(-n2c(C3CCC3)cc3cnc4[nH]ccc4c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1371078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQHVSDQUZGZCG-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDVEJWBNFKKGS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWJRWNATFNTKL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)C=CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIDSDGMJTGSMSB-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)C(=O)CNC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDISYKFGQYTXNL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)C(=O)NCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDWETLDYKDOHL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccccc5)cs4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUNUQYKQGFQLID-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4c[nH]c(-c5ccccc5)n4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUIJAGVRRBBIX-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)c[nH]4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCTDUSCQCONYQU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4ccn(-c5ccccc5)n4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFUYVQPLTBUMPZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRSLNJPWHYQWAE-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGWNCGGEDQQXAX-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1440776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJMPNAIKWLEGB-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURFCPQVOWTKRS-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3C(=O)O)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEHALIZOPCDAV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3Cl)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPJVFRQMWZEUKG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3C(F)(F)F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXUMSJHPFBGCV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3OC(F)(F)F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOVIESDUURQDQB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccsc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVUULAARCZCHP-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3sccc3C#N)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGDEDICIPFRQU-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAOGBJCIQJKYCT-UHFFFAOYSA-N", "SMILES:COc1c(C(=O)O)cccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJSCHGWQZZGKV-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)ccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSDQFTHGJBVDQC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)O)cc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPYFKVLKLOAHEX-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)O)c1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDZUXWYFVZEMX-UHFFFAOYSA-N", "SMILES:COc1cccc(C)c1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPIMBXCXLPJLBR-UHFFFAOYSA-N", "SMILES:COc1ncccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFPXDNGMSQBHL-UHFFFAOYSA-N", "SMILES:CCOc1ccc(OCC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGHMXJFMHQRDEK-UHFFFAOYSA-N", "SMILES:CCOc1cccc(OCC)c1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZCKJZIDFGDGNQ-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMLHQAJUHMDAH-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPVEGOHAMBNNQ-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)O)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNCKVMVVNFNPT-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NC)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHLHEVBSNHLMI-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)N(C)C)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYVUXNWOWDKKCJ-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NC(C)C)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WABXVVLUQPPOPN-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NCCO)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWDDLZRCWTWAG-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NCCOC)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBALPORKWVGET-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NCC(=O)O)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIQYINNIDLRFBS-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NCCN)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHSYVQWWUDUEF-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NCCNC)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJQBYYUMXODOK-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NCC(N)=O)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJBOXCQBGGRBD-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NCCCNC)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKWNGLUVOCUSS-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)N2CCOCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRHQZIJCWZJGLP-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFNQPADWFQNED-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)N2CCN(C)CC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKAVWBWCVYXLIG-UHFFFAOYSA-N", "SMILES:CCCc1c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)n1-c1c(CC)cccc1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTAIKXUNHVLJW-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQAJLJATQDBWKS-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(CC(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWNZMHBWCAOFR-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIMVBUURSAQZMS-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(CC2CC2)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLSZWHXRYZHABH-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(CCOC)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTCATLOZKLEEZ-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(CCC(F)(F)F)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBDNDABWGQBBRY-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(CC2CCOC2)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGVENNHKKUCFE-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(CC2CCOCC2)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIPAUOMDZKEOW-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(CC2CCNC2)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQFUARHHPVKDX-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNC(C)C2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNSPZPRWQGSCJC-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNCC2C)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQVDNIPCPXCFZ-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNC(CC)C2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZXZWDVOUULNQ-UHFFFAOYSA-N", "SMILES:CCCC1CN(C(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3c(CC)cccc3CC)c2C=C(C)C)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJXRCSBGHCXZAK-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNC3(CC3)C2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYCDXKCJJEBEE-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNC(CO)C2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIHRSNBCXGVWEB-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNC(=O)C2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESJQOBHRORPAZ-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNC(C(F)(F)F)C2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNAXRBWTVTVQDN-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNC(C#N)C2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKMWGHILZLPBQX-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNC(C(=O)O)C2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLVBBFWIDPIYBY-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCNC(C(N)=O)C2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPCFOYAOFWYOD-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CC3(CNC3)C2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSVAODIHAEHKX-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CC3CCC(C2)N3)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGDKHOEXZQBKP-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2C3CCC2CNC3)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKUCRYVJFKQBQB-UHFFFAOYSA-N", "SMILES:CC(C)=Cc1c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBFBYFJYUHDKCB-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-n1c(C=C(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRJFPWTHDGCOC-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1-n1c(C=C(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAROXVKBYOYSF-UHFFFAOYSA-N", "SMILES:CCc1cccc(Cl)c1-n1c(C=C(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCMPDMJGKUTRKF-UHFFFAOYSA-N", "SMILES:CCc1ccc(C)cc1-n1c(C=C(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENPNMQMBNCKEA-UHFFFAOYSA-N", "SMILES:CCc1ccc(OC)cc1-n1c(C=C(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGMCUDKLGCROW-UHFFFAOYSA-N", "SMILES:CCc1ccc(Cl)cc1-n1c(C=C(C)C)c(C(=O)N2CCNCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGVFWKOAJJTPV-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)C(=O)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTGVWMJZYJQGD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4nc5ccc(Cl)cc5s4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOUXTSRIRIQYCC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4cn(-c5ccc(Cl)cc5)cn4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZMFKAALQKTPPI-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-n4cnc(-c5ccccc5)c4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOHWMKTUNPFABA-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-n4ccc(-c5ccccc5)n4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCOKLDLQBQWVQG-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4cc(-c5ccccc5)[nH]n4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGNBRPZCFOMPGH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c3c(cc(-c4cccc(-c5ccc(Cl)cc5)n4)c2=O)C(=O)CC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJRXBUQRPQBRP-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCUDLFBDMNCRIS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVWHFJZZLLENH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUJQWRZMNXDHN-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3-c3ccccc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJPKGLFUBNBGS-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3O)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUPGNOAXLKTKBU-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3N)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFLSMPAVUBRGCM-UHFFFAOYSA-N", "SMILES:CNc1ccccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTMRZGDMUVXDIK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccccc1-n1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLHHWSVQPYTGL-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIPNOOGBVKVPIH-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccn3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFKRIIYNIHNBO-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1c2c(cc(-c3nc(-c4ccc(Cl)cc4)cs3)c1=O)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBVOEFQBAEXIH-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2c3c(cc(-c4nc(-c5ccc(Cl)cc5)cs4)c2=O)C(=O)CC(C)(C)C3)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHMXTWHYZWCUED-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NC(C)(C)C)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBLSHHSWBKQWMF-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)Nc2ccccc2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKUIFDWPKMVIPB-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDVDEXIHBNYEP-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NCC(C)C)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVVZZAVSGRLCU-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3Oc3ccccc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSNKXKJXLBBUHA-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)n(-c3ccccc3OCc3ccccc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMNHZLJVYANQSJ-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(C)c(C(=O)NCc2ccccc2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLHRGZTWNKSBV-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSTMHRZEOHLEAB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccccc3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJPXNVVPRMCLFO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc(CNc2ccc(C(=O)NO)cc2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTIKCCDQCCURKB-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(CNc3ccc(C(=O)NO)cc3)n(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLYCUYLVFISFSX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(CNc3ccc(C(=O)NO)cc3)n(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSOJFLFTCUBADS-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc(CNc3ccc(C(=O)NO)cc3)n(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAPHTPWYBPKRT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(CNc3ccc(C(=O)NO)cc3)n(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSUGPHYAHGTDO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccc(F)cc3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKIURPJALKRRH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccccc3Cl)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMUPNSOJBUPKT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3cccc(Cl)c3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STCMNOSCKSMKAG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AULZUIGGTXEIGA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccc(Br)cc3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBZUGGLWMIRTQB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWYVFAYACGNDLE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3cc4ccccc4s3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTQJBWGVWPYMZ-UHFFFAOYSA-N", "SMILES:Cc1ccsc1-c1nc(CNc2ccc(C(=O)NO)cc2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZIIJSJPBSABPW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3sccc3Br)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHHRSQAWPUUWAA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(CNc3ccc(C(=O)NO)cc3)n(-c3ccccc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGIIHSALQHQHQN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3cccs3)nn2-c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYWHFFTYEQPFRM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccsc3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCPKKCBVVSAEH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccco3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESGMEDYLYGZNS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(CNc3ccc(C(=O)NO)cc3)n(-c3ccccc3)n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBZOARUEPPVYFK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccc(Br)o3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMBDECEUFWYBI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccccn3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWVQNSOIMQMBW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3cccnc3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCCRPWDMCHXNFE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3cccc4cnccc34)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKVWFDONSTMGQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccccc3)nn2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQUWSFHGAKMNJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccccc3)nn2-c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRVYAQDIDVFMJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccccc3)nn2-c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRPSIRIOTUTQG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccccc3)nn2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSHDAHNLAUJLIF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2nc(-c3ccccc3)nn2-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXKGVZDSDZEEF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(-c3ccccc3)nc2CNc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJTHZBJLCOEDHS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1nc(-c2ccccc2)nc1CNc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPCYONKWLSWKW-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2nc(-c3ccccc3)nc2CNc2ccc(C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQWDDMPTYZQIC-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(-c3ccccc3)nc2CNc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUYICSIOBYCIO-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(-c3ccc(O)cc3)nc2CNc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGCBOAGWQLZHZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-n2nc(-c3ccccc3)nc2CNc2ccc(C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSZOOJZMXMKVDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(-c3ccccc3)nc2CNc2ccc(C(=O)NO)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCILVTBPLZJLEE-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-n2nc(-c3ccccc3)nc2CNc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSKSNOHFRHSZKW-VWLOTQADSA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)N1CCCCC1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHJAXAFWMHNCI-MHZLTWQESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)Nc1ccc(CO)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLFGUGMOCIKLV-NDEPHWFRSA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCCc1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAAWIZRDCZIDPO-SANMLTNESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKCOMWUDRCFGC-SANMLTNESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIAJPNLPOASDD-NDEPHWFRSA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOSCNYQAWARNLP-MHZLTWQESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMQSDSNZCUBDNK-SANMLTNESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NNc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGWZJBEMYIPFC-NDEPHWFRSA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMQVKPIOLDMURL-LJAQVGFWSA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(NC(C)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPGMMFDREAJXRT-MHZLTWQESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOQVSFSOICSFPA-MHZLTWQESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOQVSFSOICSFPA-HHHXNRCGSA-N", "SMILES:CCCCCC(=O)N[C@@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBCBBYMUQDPQKS-MHZLTWQESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPNDGGDDSLHOW-NDEPHWFRSA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPJKOYFWJXEGF-MHZLTWQESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CICRVJXHSKJJJJ-VWLOTQADSA-N", "SMILES:NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C2CCC2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZIFXJGSHAZRCB-NDEPHWFRSA-N", "SMILES:CCCCCCC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMHJPBRPKLUNNR-LJAQVGFWSA-N", "SMILES:CCCCCCCC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRLUSLSYOPAQK-NDEPHWFRSA-N", "SMILES:CCCCCCCS(=O)(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXXSZHHQUWRWNJ-PMERELPUSA-N", "SMILES:NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)CCc2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMBNKQPVPGWRV-VWLOTQADSA-N", "SMILES:NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2cccs2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYGKDQHCBXOKJ-LJAQVGFWSA-N", "SMILES:NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2cc3ccccc3s2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGXPGSOYJIJHAO-LJAQVGFWSA-N", "SMILES:NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(-c3cccs3)s2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDSQJHJVWVYHT-XIFFEERXSA-N", "SMILES:NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKMWBRRZCFFBU-UMSFTDKQSA-N", "SMILES:NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(OCc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCOGUUWGJXYWFG-SANMLTNESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccc(OCc2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDOQLWVUECGDHQ-NDEPHWFRSA-N", "SMILES:CCCCCCCC(=O)N[C@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOXVKZFXZOQSQ-PMERELPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc3ccccc3c2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIMVNOPGVFWSF-NDEPHWFRSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCCO3)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPVMUZHOAROPJ-YTTGMZPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDWEJZSJBFEJD-XIFFEERXSA-N", "SMILES:COc1cccc(COc2ccc([C@H](NC(=O)c3ccc(Oc4ccccc4)cc3)C(=O)Nc3cccc(C(N)=O)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDMRXJBBUFLDO-HKBQPEDESA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(Oc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGJMJNSJIJNQA-YTTGMZPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDQRAWQBCRVHIB-YTTGMZPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2cccc(Oc3ccccc3)c2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFWFCPGXEOBSTE-XIFFEERXSA-N", "SMILES:COc1ccccc1Oc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C(N)=O)c2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STVZANCSANTGOP-XIFFEERXSA-N", "SMILES:N#Cc1ccc(Oc2ccc(C(=O)N[C@H](C(=O)Nc3cccc(C(N)=O)c3)c3ccc(OCc4ccccc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNJZSKJJNTVURL-YTTGMZPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQAOBDSRYRCAJX-YTTGMZPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFSQBRYONHWLAD-YTTGMZPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFURGCWYCRDPMB-XIFFEERXSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRIHVAFIAVFEET-UMSFTDKQSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccc4c(c3)OCCO4)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDJVHWPFZMVDH-DHUJRADRSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3cccc4c3C(=O)CC4)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDKNVMSNEVUUBN-YTTGMZPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZOATHYURJGQK-XIFFEERXSA-N", "SMILES:COc1cccc(COc2ccc([C@H](NC(=O)c3ccc(C(=O)c4ccccc4)cc3)C(=O)Nc3cccc(C(N)=O)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFMESYSRBTJEC-PMERELPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OESATBKHVIZCRJ-HKBQPEDESA-N", "SMILES:CC(C)CCOc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C(N)=O)c2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJUYVSGKCMTRFU-XIFFEERXSA-N", "SMILES:Cc1ccc(C)c(OCCCC(C)(C)C(=O)N[C@H](C(=O)Nc2cccc(C(N)=O)c2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFNUJGCEUHUFQ-YTTGMZPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSHQSXPCCFLJPR-YTTGMZPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJKBLPKDGWHGE-PMERELPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(-c3ccco3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCOOIIGTKBESS-PMERELPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(-c3cncnc3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFIWHXKERGSSLV-HKBQPEDESA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)C2CCN(c3ccccc3)CC2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLGYWJMRXCIBNL-PMERELPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(N3CCOCC3)cc2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXOIMDLSYRGGJ-NDEPHWFRSA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(OC)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPBOIFEUCRROC-HKBQPEDESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGWFSFVYZDEAM-SANMLTNESA-N", "SMILES:CCCCC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIVKTLINKDGED-NDEPHWFRSA-N", "SMILES:NCc1ccc(C(=O)N[C@H](C(=O)NCc2ccc(C(N)=O)cc2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSUZGBXDNVNHLS-PMERELPUSA-N", "SMILES:NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2cccc(C(=O)N3CCOCC3)c2)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHPFNJRQSOAJN-MHZLTWQESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(C(=O)NN)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFILJVMGCLLRPV-VJPAEBCTSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)NC(CCCCN)C(=O)NC(C(N)=O)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4651093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMHIKWELPMOEB-MHZLTWQESA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(NC(=N)N)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDDZENTRUJRNO-PMERELPUSA-N", "SMILES:CCCCCC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRNZNLHPOYWOSC-HHHXNRCGSA-N", "SMILES:CCCCCC(=O)N[C@@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALPLHMIVEMIBKQ-NSOVKSMOSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNPATOBJJAKDH-MHZLTWQESA-N", "SMILES:CCCCCCN[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRUOZMPLJXLBNJ-DHUJRADRSA-N", "SMILES:NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVCAGIZTCPEQF-SFHVURJKSA-N", "SMILES:CN1C(N)=N[C@](C)(c2cc(-n3[se]c4ccccc4c3=O)ccc2F)CS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYUDBYRQMEDSY-IBGZPJMESA-N", "SMILES:Cc1ccc2c(=O)n(-c3ccc(F)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)c3)[se]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNELTRNPNAPUQD-IBGZPJMESA-N", "SMILES:Cc1ccc2[se]n(-c3ccc(F)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)c3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADNZYVDYKLQBN-SFHVURJKSA-N", "SMILES:CN1C(N)=N[C@](C)(c2cc(-n3[se]c4cc(F)ccc4c3=O)ccc2F)CS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLTXFZUNSAFAD-SFHVURJKSA-N", "SMILES:CN1C(N)=N[C@](C)(c2cc(-n3[se]c4ccc(F)cc4c3=O)ccc2F)CS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJYZAZIJJNTEU-SFHVURJKSA-N", "SMILES:CN1C(N)=N[C@](C)(c2cc(-n3[se]c4cc(F)c(F)cc4c3=O)ccc2F)CS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAAUMJJTLTYMV-SFHVURJKSA-N", "SMILES:CN1C(N)=N[C@](C)(c2cc(-n3[se]c4cc(C(F)(F)F)ccc4c3=O)ccc2F)CS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JICRTTZUUGSTFA-SFHVURJKSA-N", "SMILES:CN1C(N)=N[C@](C)(c2cc(-n3[se]c4ccc(C(F)(F)F)cc4c3=O)ccc2F)CS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMMAPEIYNSWFNT-IBGZPJMESA-N", "SMILES:COc1ccc2c(=O)n(-c3ccc(F)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)c3)[se]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYPJGHUYAYNBGP-IBGZPJMESA-N", "SMILES:COc1ccc2[se]n(-c3ccc(F)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)c3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOAPXKSPJAZNGO-WDSKDSINSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISEYJGQFXSTPMQ-SCSAIBSYSA-N", "SMILES:O=C(O)CC[C@H](CP(=O)(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFVSSPVFBEUOJ-WDSKDSINSA-N", "SMILES:O=C(O)CC[C@H](NC(=S)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOYSJYDAYLKBNM-UHFFFAOYSA-N", "SMILES:Cc1c(C2(c3ccc(C(F)(F)F)c(C#N)c3)CC2)c[nH]c1C(=O)NC(C)c1nc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOWCXKDGDALIF-UHFFFAOYSA-N", "SMILES:Cc1c(C2(c3ccc(C(F)(F)F)nc3)CC2)c[nH]c1C(=O)NC(C)c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJQIZUFOJXQSO-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC(C)c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKAPFUYAAPPCDI-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC(C)c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBPRXDFKLPILK-UHFFFAOYSA-N", "SMILES:Cc1c(C2(c3ccc(C(F)(F)F)nc3)CC2)c[nH]c1C(=O)NC(C)c1nc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPXBFMLYCJALY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(F)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSWPHJIUNXODMH-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)NC(=O)c2[nH]cc(Cc3ccc(C(F)(F)F)nc3)c2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYBAWUCLDQICKJ-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCPECUFTPNDTC-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3cccc(OC)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBNVEKPSVZVRLP-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3ccc(OC)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWEGMYOKOYCPMK-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3cccc(F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNPTIYIVJQDAL-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3ccc(F)c(F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNOAOYYVKQPCNZ-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3ccc(F)cc3F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDQBDUBBNFFQP-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3ccc(C(F)(F)F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRVXAAYUFBVIU-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3cccc(C(F)(F)F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHZOVQZBWNCVCC-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3cccc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNWFCZCRUYRGNH-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3ccc(Cl)cc3Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAOCICWCXYFBRD-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3ccc(Cl)c(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLYUUGHPSHYQAW-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3ccc(C)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFOZUQYQPJWCM-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3ccc(Br)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXMWYXFWDVGAAS-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCc3ccc4ccccc4c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNDKBGYZQGLLX-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3cccc(F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCTTYVNPJPKRF-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3ccc(F)c(F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQJLOBZVVYTAB-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3cccc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPJCRKNQACLNF-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3ccc(Cl)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTPWEGFUFOMKAR-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3ccc(Cl)c(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFVGFQXQSMMKCR-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3cccc(C(F)(F)F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVBHIMQACIXDFV-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3ccc(C(F)(F)F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYXCPCGYRGPAJZ-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3cccc(C)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASDPUGGZVOQWMC-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3ccc(C)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSFGSBZKKZNFJS-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3cccc(OC)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPDGWCOJZKJBP-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3ccc(OC)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATODPYMEGRLDPJ-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3cccc(Br)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSZBUWAPBCQNI-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(SCCc3ccc(Br)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZFUEPUTWMEALQ-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(OCc3cccc(C(F)(F)F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NINVITGMDMXZKU-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(NCc3cccc(C(F)(F)F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4296926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGWWMBMIIJENL-OZDSWYPASA-N", "SMILES:Cl/N=C1/C=CC=C/C1=N/Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPEUTQKEMPFPKO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1346056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USJRSBYEUBALIV-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL139935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOHCSADJQUMCX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(F)c2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4296952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVKOBSVOCFOEN-CCEZHUSRSA-N", "SMILES:NS(=O)(=O)c1ccc(/N=N/c2ccc(O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2000037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALWMIAEJSRSFM-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2c3c(c4c(cc13)c(CN(C)C)cc(=O)n4C)OC2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4296835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHNIKUXMZFPPCS-VAWYXSNFSA-N", "SMILES:Oc1ccc(/N=N/c2nccs2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1403970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQATWXVDRZZHBC-UHFFFAOYSA-N", "SMILES:Nc1cccc2c([As](=O)(O)O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1981840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQXVMIIRIIGTQ-AATRIKPKSA-N", "SMILES:O=[N+]([O-])/C=C/c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1487639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIADJWREMDHKHQ-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(O)c2ncccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3192687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVIVJHZHPKNDAQ-MHWRWJLKSA-N", "SMILES:O=S(=O)(/N=C/c1c(O)ccc2ccccc12)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4296947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTOMASUNAPBPMR-OUKQBFOZSA-N", "SMILES:Oc1c(/N=N/c2nnn[nH]2)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVZPSFUQICONT-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C2=C3C(O)=NN=C3CCN12"]}
{"name": "Tryptophan 2,3-dioxygenase", "xref": ["CHEMBL.TARGET:CHEMBL2686"], "id": "UniProtKB:P21643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDDRCLDJHAZTTI-CVWCMPNTSA-N", "SMILES:CCCCC/C=C\\C=C\\C(=O)NCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL408403", "category": ["biolink:ChemicalEntity"], "name": "ANGIOTENSIN II", "xref": ["InChIKey:CZGUSIXMZVURDU-JZXHSEFVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"], "synonym": ["Angiotensin ii", "Angiotensin ii", "Angiotensine ii", "Angiotensina ii", "Angiotensin ii", "Angiotensin ii (human type)", "5-l-isoleucineangiotensin ii", "Angiotensin ii", "Angiotensin ii human", "Asp-arg-val-tyr-ile-his-pro-phe", "Delivert", "LJPC-501", "Angiotensin ii"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4852514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFGETHDODNFOE-RIPQPARXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJMSMRFIBSPTDL-MUVJKTISSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBXJWIHYYMHRP-WTWGKQGVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N1Cc2ccc(O)cc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFQEEUXFTYOPJ-MUVJKTISSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N1Cc2ccc(O)cc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVKRJWASRRVFO-LLTCUBMKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCUBLKYPOKUFNZ-MJNIQHBBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVGDTYSQSBSNL-KBBYKZSPSA-N", "SMILES:CCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)N1Cc2[nH]c3ccccc3c2C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)CC)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUBDZABXFSKITG-RDYFUVJOSA-N", "SMILES:CCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)N1Cc2[nH]c3ccccc3c2C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)CC)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQVLXJSPUGQNB-WTWGKQGVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYJIQSFPVUFDT-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)CN(Cc1ccccc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHIFMTPZHYQADO-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)NC(=O)CN(Cc1ccccc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYHXYUDHMKFQR-UHFFFAOYSA-N", "SMILES:N#CC1(NC(=O)CN(Cc2ccccc2)C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCUHWAGAIBOFE-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVYGBWHNFNMQH-UHFFFAOYSA-N", "SMILES:N#CC1(NC(=O)CN(Cc2ccccc2)C(=O)c2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPFREBKDQZLIS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)N(CC(=O)NCC#N)Cc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMYINLXOFGBOV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)N(CC(=O)NC3(C#N)CC3)Cc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBPJZODRHXSRB-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1C(=O)N(CC(=O)NCC#N)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYCGYWMGKOAIM-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1C(=O)N(CC(=O)NC1(C#N)CC1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKDYUQFAHFHOIZ-UHFFFAOYSA-N", "SMILES:N#CC1(NC(=O)CN(Cc2ccccc2)C(=O)Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKJLDYFITYYWMA-QFIPXVFZSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1C(=O)N(CC(=O)N[C@H](C#N)Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYMOCLGENPGQER-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)CN(Cc1ccccc1)C(=O)c1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIHHNXWXLSAWEL-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEIKYAQNMANAPJ-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1C(=O)N(CC(=O)NCC#N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL349148", "category": ["biolink:ChemicalEntity"], "name": "2-Bromo-1,4-naphthoquinone", "xref": ["InChIKey:KJOHPBJYGGFYBJ-UHFFFAOYSA-N", "SMILES:O=C1C=C(Br)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PINSRXIFMHJTJZ-AQTBWJFISA-N", "SMILES:CC(C)=CCC1=C(O)c2ccccc2/C(=N/NC(N)=S)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUJMVZSNLUISR-NKFKGCMQSA-N", "SMILES:CC(C)=CCC1=C(O)c2ccccc2/C(=N/NC(=O)c2ccncc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL84010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPECBHGHSFBITB-UHFFFAOYSA-N", "SMILES:O=C1C=C(Nc2ccccc2)C(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4877896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQJJIVNDZHRJJ-UHFFFAOYSA-N", "SMILES:O=C1C=C(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRTLSAKUNCLNST-SDXDJHTJSA-N", "SMILES:O=C1C=C(O)c2ccccc2/C1=N/NC(=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15193", "category": ["biolink:ChemicalEntity"], "name": "LAPACHOL", "xref": ["InChIKey:CIEYTVIYYGTCCI-UHFFFAOYSA-N", "SMILES:CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4865195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEBONYYJRIZVEX-SFTDATJTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC1=C(C#N)C(=O)c2ccccc2C1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLEVAPPXDMNRHP-QJKXBNOXSA-M", "SMILES:C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC[C@@H]4C(=CCC5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](OS(=O)(=O)[O-])[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]54C)[C@]2(C)C[C@H](OC(C)=O)[C@@H]31.[Na+]"]}
{"name": "Vascular endothelial growth factor receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3337"], "id": "UniProtKB:P35918", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTGWXGVFVHJWLL-UHFFFAOYSA-N", "SMILES:CC(C)(F)c1noc(N2CCC(N(c3cc(OC4CCN(S(C)(=O)=O)CC4)ncn3)C(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBMAKZPMMFCPCN-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CCOC(=O)N2CCc3cc(S(C)(=O)=O)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3113629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYBYVKDGSLFNOG-UHFFFAOYSA-N", "SMILES:CC(COC(=O)N1CCc2cc(S(C)(=O)=O)ccc21)C1CCN(C(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVKLNBIURDBXIF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(Nc2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDWMCRCCWFPXMC-UHFFFAOYSA-N", "SMILES:CN(c1cc(N2CCc3cc(S(C)(=O)=O)ccc32)ncn1)C1CCN(C(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOHCRNXFVEHEL-UHFFFAOYSA-N", "SMILES:CCN(c1cc(N2CCc3cc(S(C)(=O)=O)ccc32)ncn1)C1CCN(C(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOCMUAQOUSORTH-UHFFFAOYSA-N", "SMILES:CCCN(c1cc(N2CCc3cc(S(C)(=O)=O)ccc32)ncn1)C1CCN(C(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWJGHTCAUIEAFC-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(N(CC2CC2)c2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYWQJMNYWMUKO-UHFFFAOYSA-N", "SMILES:COCCN(c1cc(N2CCc3cc(S(C)(=O)=O)ccc32)ncn1)C1CCN(C(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEAZLLQAUWMAMF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(N(c2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZZZDOEMJABTD-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(N(c2cc(NC3CCN(S(C)(=O)=O)CC3)ncn2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPAPWHZBZNCJX-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(N(c2cc(OC3CCN(S(C)(=O)=O)CC3)ncn2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXEUHEQRTPFPIO-QAQDUYKDSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(N(c2cc(O[C@H]3CC[C@H](S(C)(=O)=O)CC3)ncn2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYYUKQVBSWGDJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(N(c2cc(OC3CN(S(C)(=O)=O)C3)ncn2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZDPDUJOLKDUOB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(N(c2cc(OCC3CN(S(C)(=O)=O)C3)ncn2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPLPNJWCCCXUQU-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(N(c3cc(OC4CCN(S(C)(=O)=O)CC4)ncn3)C(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMLTRVYDAYZPA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Oc2cc(N(C3CCN(c4nc(C5CC5)no4)CC3)C(F)(F)F)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOHWFUOMWLTPDC-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(N(c3cc(N4CCc5cc(S(C)(=O)=O)ccc54)ncn3)C(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGAZSQVWXQIBE-NZEUDUFCSA-N", "SMILES:CCCCCCCCCCCC(=O)[C@]12O[C@H]1C(C)(O)NC2=O"]}
{"name": "Paired mesoderm homeobox protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4879442"], "id": "UniProtKB:P54821", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQKNFTLRMZOAMG-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(CBr)c(CBr)[n+]([O-])c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYILHWEYDHGNQ-QGPPHQKNSA-N", "SMILES:CC1(O)NC(=O)[C@@]2(C(=O)CCCCCCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBLDQLATQPANS-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(Cc3ccc(C)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSPEIGAKLYTJY-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(Cc3ccc(F)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEGVTIYREHRTLH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(Cc3ccccc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFCSHCWZKYUDQ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nn(Cc3ccc(C)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAUJWAYNDLEEDU-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nn(Cc3ccc(C)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODJNFVZOGFOZSK-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nn(Cc3ccc(C)cc3)c2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURSHBWNQHDYDY-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(Cc3ccc(Cl)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDLCIGKZXCHMHB-UHFFFAOYSA-N", "SMILES:C=Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(Cc3ccc(C)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWOOCXWEAIJCC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nn(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHYNIYKZRXHJG-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cc(Cl)cc(SCC(=O)O)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESFHNRJRFLAMW-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(Nc2ncc3nc[nH]c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXQNSOFAGUOOX-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(-c5ccccc5)cc4)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQMZMXOSIASYBS-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(Nc2ncc3ncn(-c4cccc(OCc5ccccc5)c4)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZJTYNJLNJLDJE-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(OCc5ccccc5)cc4)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQQJEXJMRYNRKA-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(Nc2ncc3cc[nH]c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYTSXCFOGSTFSE-UHFFFAOYSA-N", "SMILES:CC(C)CCn1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZIATJQXGGRMIL-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(N5CCOCC5)cc4)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGYODGLBGTABR-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(CCN5CCOCC5)cc4)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVYJDRGXUZTGQY-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(Nc2ncc3ncn(-c4cccc(Oc5ccccc5)c4)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMOJDDMTQLQPPD-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(Oc5ccccc5)cc4)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZDAVISMAIQLCR-UHFFFAOYSA-N", "SMILES:Oc1cccc(-n2cnc3cnc(Nc4cc(F)c(O)c(F)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIKFAGJACMEBJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-n2cnc3cnc(Nc4cc(F)c(O)c(F)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBLAYGVRVTXEZ-UHFFFAOYSA-N", "SMILES:COC(=O)CCc1ccc(-n2cnc3cnc(Nc4cc(F)c(O)c(F)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRKGHNSJGKKFFV-UHFFFAOYSA-N", "SMILES:COC(=O)CCCc1ccc(-n2cnc3cnc(Nc4cc(F)c(O)c(F)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFHMRDJYQKKGHA-UHFFFAOYSA-N", "SMILES:CC(C)CCn1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CACKGVOWAJCUIK-UHFFFAOYSA-N", "SMILES:Oc1c(F)cc(Nc2ncc3ccn(-c4ccc(N5CCOCC5)cc4)c3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFYKPLLUZVWVOL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-n3ccc4cnc(Nc5cc(F)c(O)c(F)c5)nc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJAJXLWXVQIALM-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(OC(=O)C3CC3)c3ccc4c(c3OC)C=CC(C)(C)O4)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNZPTMMXFUGYBN-PBHICJAKSA-N", "SMILES:O=S(=O)(Nc1ncns1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLIFHUOESNOIJZ-QAPCUYQASA-N", "SMILES:O=S(=O)(Nc1cscn1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRQZLOSBIGVDN-APWZRJJASA-N", "SMILES:O=S(=O)(Nc1ncccn1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGNZSYVWNCZOBH-APWZRJJASA-N", "SMILES:O=S(=O)(Nc1cccnn1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTNZILNGXCYBM-APWZRJJASA-N", "SMILES:O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJIFWFNKQDYFM-XLIONFOSSA-N", "SMILES:O=S(=O)(Nc1cc(F)ccn1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBRGBOMUILERAC-APWZRJJASA-N", "SMILES:O=S(=O)(Nc1cccc(Cl)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOXSIEYQTDPKRO-PBHICJAKSA-N", "SMILES:O=S(=O)(Nc1nncs1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQYWTKNXLWZCO-PBHICJAKSA-N", "SMILES:O=S(=O)(Nc1ncc(F)s1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROORXZLBXUUPAD-XLIONFOSSA-N", "SMILES:O=S(=O)(Nc1ccccn1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDWPCNSQZWWSQ-UZLBHIALSA-N", "SMILES:O=S(=O)(Nc1ncccc1F)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGOQWFJQQVVJDQ-XLIONFOSSA-N", "SMILES:O=S(=O)(Nc1ccc(F)cn1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVQNDFFVKWFSW-APWZRJJASA-N", "SMILES:O=S(=O)(Nc1cccc(C(F)(F)F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDUWACNIWKZMU-BEFAXECRSA-N", "SMILES:O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLXKHSOJIDINK-APWZRJJASA-N", "SMILES:O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2cccc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEWXTDRFSZXFQ-APWZRJJASA-N", "SMILES:O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccc(F)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBLCBSQHABJKEB-BEFAXECRSA-N", "SMILES:O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccc(F)cc2F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBLYTMOPDJSMFJ-KUHUBIRLSA-N", "SMILES:O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccc(F)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBLYTMOPDJSMFJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(OC2CCN(CC(F)(F)F)CC2c2ccc(F)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGEWWSXXSJBTNU-XLIONFOSSA-N", "SMILES:N#Cc1cccc([C@H]2CN(CC(F)(F)F)CC[C@@H]2Oc2cc(F)c(S(=O)(=O)Nc3cccc(F)n3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYSSPGOUMAGSF-QRWLVFNGSA-N", "SMILES:O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccc(F)c(F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTGXEGKPWGOXLL-DYVFJYSZSA-N", "SMILES:O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccc(F)c(F)c2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVZDBYAMUDVSA-BEFAXECRSA-N", "SMILES:O=S(=O)(Nc1cccc(F)n1)c1cnc(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccc(F)c(F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQISSJVXDOBBLE-ACJLOTCBSA-N", "SMILES:O=S(=O)(Nc1cscn1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccc(F)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADBBIVGFJVNCF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C[Te]c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFHGTGKXRNEDW-UHFFFAOYSA-N", "SMILES:Cc1ccc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIMVJWUNWLWTP-UHFFFAOYSA-N", "SMILES:COc1ccc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4482933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTRVILICSAYCY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C[Te]c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANUQCVBWDXVQAQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1[Te]Cc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKXDXPNIZYCLCM-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1[Te]Cc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJOCIUCEXWNXCT-UHFFFAOYSA-N", "SMILES:COc1cc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIHKRJPVCHXIMW-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQPRRZYUNOFGV-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHJUCGRNABYDS-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQAFKGMFPHEWJP-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1481541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRONCDXHQCNSOW-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLKXKPXNNIKMY-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCXHHDFHWGHDP-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQFGLWNVAISNI-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(I)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQGBXQMSTAKLMD-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEIVLJCTKVRRM-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHLKICPSIUWBW-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNOAGWHKHAENJF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnc(SCC(=O)Nc3ccc(I)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZRNCPRIFPZBK-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)CC)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEHQRPWSMXJUHK-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)C3CC3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDZYYBNDFLYSP-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc2oc(CCCC)c(C(=O)c3ccc(OCCCN(CCCC)CCCC)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWLEDXQDLTTNC-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)C3CCCCC3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFRPAREPWYWAK-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)c3ccccc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOSVCYFBAMNPZ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)c3cccnc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQMSOGTTYKWPQS-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTQQQNNQKYHNTC-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQAVFMLYACCMFU-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYDURBMNGIQFMM-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYFUICXLFCWDW-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(S(N)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUSMMHSOCSSSZ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(S(=O)(=O)NC)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEKYSVUGPKEDKF-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(S(=O)(=O)NC(C)C)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMAAEZQFBBJKIK-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(S(=O)(=O)NOC)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAACPPFGMIRLHB-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(S(=O)(=O)N(C)C)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPUSDWRLDFKEJ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(C)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSFIKKTUONHAB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2oc(CCCC)c(C(=O)c3ccc(OCCCN(CCCC)CCCC)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRMXHFMUDVDNR-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)C(C)C)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMTJEABPCJRGJC-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1ccc2oc(CCCC)c(C(=O)c3ccc(OCCCN(CCCC)CCCC)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRMCCBARFHGRON-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)C(C)(C)C)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTOZCPUJRLBQFK-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)c3ccccc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRQSKQYLLECJR-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)NC(C)C)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXSLFDKVZDHPF-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)NCCC)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WODRBGAJCAITNX-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)NC3CCCC3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWKCKRQBNVHEP-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)NC3CCCCC3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHBWRWRCZOSFB-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)Nc3ccc(C)cc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXQFQKFJTXWZSV-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPCIHHNABCQFQW-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTKIYJUVJHFKZ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCFIPOTHJCHHE-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)NC)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRLAACVYBTVMCL-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)N(C)C)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNJHMOUMAAAICO-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccc(NS(=O)(=O)NC(C)C)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOULKJBSTVLPEJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#CC=C2CCNCC2)cc(C)c1Oc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWORHZBWLIFYDX-UHFFFAOYSA-N", "SMILES:Cc1cc(C#CC=C2CCN(S(C)(=O)=O)CC2)cc(C)c1Oc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QATHXYFKHKJGBX-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(=CC#Cc2cc(C)c(Oc3ccnc(Nc4ccc(C#N)cc4)n3)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PASNJBUNTUEUAJ-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Nc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOGUUIOCYMBPV-VWIQTCEGSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4869027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPNRALWSPISIP-FQEVSTJZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTXQEUYEIEIGL-QHCPKHFHSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBCOVJOHEGKJME-OWJIYDKWSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)C2CCN2CCCCCOc2ccccc2-c2cnc1[nH]2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLNKULSDASGKT-LFQPHHBNSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)C2CCN2CCCCCCOc2ccccc2-c2cnc1[nH]2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJFTZOLNFLMULZ-QSAPEBAKSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)C2CCN2CCCCCCc2ccccc2-c2cnc1[nH]2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COLQOIDCTMUDMA-AGDSBZHNSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1[nH]c2nc1C(=O)NCCC/C=C\\c1cccc-2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COLQOIDCTMUDMA-VRPUFIDTSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1[nH]c2nc1C(=O)NCCC/C=C/c1cccc-2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOLHRVDRKNBUPF-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1[nH]c2nc1C(=O)NCCCCCc1cccc-2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVFNHWHRPHDXJO-WXQFCLCJSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3c(c2)C2CCC3C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDNRODMXIVRIW-ANAIMFLESA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(C/C=C/CN2C4CCC2c2cc(ccc24)-c2cnc1[nH]2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRNGPLNAAMNQKM-NLBIUBODSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCCCN2C4CCC2c2cc(ccc24)-c2cnc1[nH]2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTDKCXUQMVXUHE-SFMHXDGCSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCCCN2C4CCC2c2c(cccc24)-c2cnc1[nH]2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRMSPADHUDDHPW-FTJBHMTQSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3c(=O)n(C)ccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQLXDOKERMDPOT-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc3c(=O)n(CC)ccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIXIONCIFLLFZ-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCOCCn2ccc4cc(ccc4c2=O)-c2cnc1[nH]2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEHGRSVCWEICS-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCCCCn2c(=O)ccc4cc(ccc42)-c2cnc1o2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXJAODDXNZAPY-WDYNHAJCSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCCOCCn2ccc4cc(ccc4c2=O)-c2cnc1[nH]2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMFFNKHZQUTRNE-PXJZQJOASA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCCCCOc2ccc4cc(ccc4n2)-c2cnc1o2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLWBVDLCWWJINE-IHLOFXLRSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCCOCCCn2ccc4cc(ccc4c2=O)-c2cnc1[nH]2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHFNZFBCEYQJMW-ZWXJPIIXSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCCCCCCCn2ccc4cc(ccc4c2=O)-c2cnc1[nH]2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUOQPJWZUKPUSH-ZWXJPIIXSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCCCCCCCn2ccc4cc(c(OC)cc4c2=O)-c2cnc1[nH]2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGXDYFOPYGUQA-NDEPHWFRSA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)CN(C)CCCCOCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHELPQVBBOUXAO-XMMPIXPASA-N", "SMILES:CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)c1occc1CNc1ccc2nccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMQLZXJTNCVAW-ISKFKSNPSA-N", "SMILES:CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZCPISYHINOJCA-FOIQADDNSA-N", "SMILES:C=CC(=O)N1CCC[C@H](CC(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C(=O)NC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVRBPKACRMBQV-MUGJNUQGSA-N", "SMILES:C=CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NC)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMWWEZMNPBLTBD-SHVQYXQLSA-N", "SMILES:CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)C[C@@H](Cc1cccc(F)c1)NC(=O)C1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXNJCCPNMMAJW-SWDAYOAKSA-N", "SMILES:CNC(=O)[C@@H](Cc1ccc(C#N)cc1)NC(=O)[C@@H](NC(=O)[C@]1(C)CO1)[C@@H](C)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAIWNRUDVDWHHE-QYZOEREBSA-N", "SMILES:CNC(=O)[C@@H](Cc1ccc(C#N)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CO1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKEHVLQBJGUKRD-VUHWMDJISA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CNC(=O)OC(C)(C)C)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKBCVOESJQNPZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWNSFTQZYFEQJV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYSWJDZPBEWNC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXHEAFOIWFEOP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNKSBROOQJMLQR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQURLKTUDRWBJF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVONWLKRCVPTO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMDNAKVIXLGNI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLJNLDVMRVXJZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQPBLYBRTXHDS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXAOWRBMMYUGR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEBZAIOJCOKHMQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOMUKMDSLYZQA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBXPNYJYPBEHFF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYJMKAMTHZDQJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)NCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXJKFBVDXOPXFJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXTAKLKHRCXOFS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)NCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVDQVPTHPTYMR-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRRCTAMZGQSUSC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAVAWQKDQNJGR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEMGUFBETKXSRV-UHFFFAOYSA-N", "SMILES:N=C(NO)c1ccc2nc(-c3cccc(-c4cn5ccccc5n4)c3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAJHZQMZEXOYNC-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2cccc(-c3nc4cc(-c5noc(C(F)(F)F)n5)ccc4[nH]3)c2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBLVNPKXHYVYCY-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2cccc(-c3nc4cc(-c5noc(C(F)(F)F)n5)ccc4[nH]3)c2)nc2cnccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCKNTQLUQMEQRQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDCOYCPANTWSM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGCYVKOTVLEOB-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2cccc(C(=O)Nc3ccc(F)cc3N)c2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZVUORXFGXXCR-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3ccc(CN4Cc5ncsc5C4=O)c(F)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCFWPNZZXOVBV-UHFFFAOYSA-N", "SMILES:O=C1c2scnc2CN1Cc1c(F)cc(-c2ccc3ncccc3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNCXHWYDEHKKBJ-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGANFHDKXRZKE-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGZZQZLONXOMSV-UHFFFAOYSA-N", "SMILES:Cn1cnc2ccc(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOOTVIRLVVYPOG-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBGAWXNGKUAJTR-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBKVCBWWGNDQT-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3cc(F)c(CN4Cc5ccsc5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKUKZIOCFGSHHS-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3cc(F)c(CN4Cc5ccsc5C4=O)c(F)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBSSBMILZHJQZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CN3Cc4ccsc4C3=O)c(F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRGTUYUKZVPDG-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3cc(F)c(CN4Cc5occc5C4=O)c(F)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOXJRGUFXIPEQ-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3cc(F)c(CN4Cc5ccn(CC6CCCO6)c5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUXFSOYTYSNAV-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3cc(F)c(CN4Cc5ccn(CCCO)c5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXOXHYGZPKGURZ-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3cc(F)c(CN4Cc5ccn(CCN6CCCC6)c5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJZFECAZYWCIF-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3cc(F)c(CN4Cc5cnn(CC6CCCO6)c5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGADKNLISPOUFJ-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3cc(F)c(CN4Cc5cn(CC6CCCO6)nc5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZKHLAOFVSPUKH-UHFFFAOYSA-N", "SMILES:COCCn1ncc2c1C(=O)N(Cc1c(F)cc(-c3cccc4nn(C)cc34)cc1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASZQEBUWDXBOAT-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3cc(F)c(CN4Cc5cnn(CCN6CCCC6)c5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICMHGCVSPHOSV-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3cc(F)c(CN4Cc5cn(CCN6CCCC6)nc5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPPXRJDHKSTFLG-UHFFFAOYSA-N", "SMILES:Cn1cc2c(-c3cc(F)c(CN4Cc5cnn(CCO)c5C4=O)c(F)c3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJLLMFLWTSXEJC-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3cc(F)c(CN4Cc5cnn(CC6CCCO6)c5C4=O)c(F)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLQTXXVOIDWOGY-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKZKJTOVTJPBRB-UHFFFAOYSA-N", "SMILES:Cn1cc2cccc(-c3cc(F)c(CN4Cc5cnn(CC6CCCO6)c5C4=O)c(F)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQSRMTFFQUJQBK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(F)c(CN3Cc4cnn(CC5CCCO5)c4C3=O)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJOZCFQKBIPBPF-ZHACJKMWSA-N", "SMILES:O=c1c(/C=C/c2ccccc2)coc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLSDTGKBXANRIC-GORDUTHDSA-N", "SMILES:COc1ccc2c(=O)c(/C=C/c3ccc(Cl)cc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOUKXKWZUOODNI-VMPITWQZSA-N", "SMILES:O=c1c(/C=C/c2ccc(F)cc2)coc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNOUPHDMTPEFFN-VMPITWQZSA-N", "SMILES:O=c1c(/C=C/c2ccc(Cl)cc2)coc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXFIANUKVWDMV-JXMROGBWSA-N", "SMILES:CN(C)c1ccc(/C=C/c2coc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGUGMNEYSSCAK-VMPITWQZSA-N", "SMILES:O=c1c(/C=C/c2ccc(O)cc2)coc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGESUPZVAQIVEH-RMKNXTFCSA-N", "SMILES:COc1ccc(/C=C/c2coc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUHMLVLAVBYTRS-VQHVLOKHSA-N", "SMILES:COc1ccc(/C=C/c2coc3ccccc3c2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFCFJGJSFBFQA-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/c2coc3ccccc3c2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPFZEPJEKJPRKK-BQYQJAHWSA-N", "SMILES:COc1ccc2occ(/C=C/c3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCHRLXYXDXCIJ-GORDUTHDSA-N", "SMILES:COc1ccc2occ(/C=C/c3ccc(F)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZMFEQSSMVBMGO-GORDUTHDSA-N", "SMILES:COc1ccc2occ(/C=C/c3ccc(Cl)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKNUOZDMESGRTM-QPJJXVBHSA-N", "SMILES:COc1ccc2occ(/C=C/c3ccc(N(C)C)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPXJJVLPIODHLO-GORDUTHDSA-N", "SMILES:COc1ccc2occ(/C=C/c3ccc(O)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKLCZUIFCMTJX-ZZXKWVIFSA-N", "SMILES:COc1ccc(/C=C/c2coc3ccc(OC)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTVUTCAEYXVAAF-GQCTYLIASA-N", "SMILES:COc1ccc2occ(/C=C/c3ccc(OC)c(OC)c3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBRBUGNCQQZBAI-AATRIKPKSA-N", "SMILES:COc1ccc2occ(/C=C/c3cc(OC)c(OC)c(OC)c3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYOBEHOZFMADRE-BQYQJAHWSA-N", "SMILES:COc1ccc2c(=O)c(/C=C/c3ccccc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGZGSGOSFAMLR-GORDUTHDSA-N", "SMILES:COc1ccc2c(=O)c(/C=C/c3ccc(F)cc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHCKNUVBPTGTQ-QPJJXVBHSA-N", "SMILES:COc1ccc2c(=O)c(/C=C/c3ccc(N(C)C)cc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHCGFYBSPIHTG-GORDUTHDSA-N", "SMILES:COc1ccc2c(=O)c(/C=C/c3ccc(O)cc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRSAWTYVETXNTF-ZZXKWVIFSA-N", "SMILES:COc1ccc(/C=C/c2coc3cc(OC)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUEZRKDIIJRQGP-GQCTYLIASA-N", "SMILES:COc1ccc2c(=O)c(/C=C/c3ccc(OC)c(OC)c3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDEKIAWDDOKEED-AATRIKPKSA-N", "SMILES:COc1ccc2c(=O)c(/C=C/c3cc(OC)c(OC)c(OC)c3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYZSQWJEPPEPAQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(-c3ccc(C(=O)NO)cc3)nc3cc(Cl)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078983", "category": ["biolink:ChemicalEntity"], "name": "Ku-0063794", "xref": ["InChIKey:RFSMUFRPPYDYRD-CALCHBBNSA-N", "SMILES:COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWGMGYRZLRZPSS-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCSCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVMSNJEXDSEOG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWAUECQWMASKTP-ZDUSSCGKSA-N", "SMILES:C[C@H]1COCCN1c1nc(-c2ccc(C(=O)NO)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWAUECQWMASKTP-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccc(C(=O)NO)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTYULQWDKZYMT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(-c3ccc(C(=O)NO)cc3)nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSQFOSWPCQGPH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCOCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGXDOAQGYGJXIZ-ZDUSSCGKSA-N", "SMILES:COc1cc(OC)c2c(N3CCOC[C@@H]3C)nc(-c3ccc(C(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGXDOAQGYGJXIZ-CYBMUJFWSA-N", "SMILES:COc1cc(OC)c2c(N3CCOC[C@H]3C)nc(-c3ccc(C(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWUNPLKYKBRJLE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCN(C)CC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJCHNYULIYFBGF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCSCC3)c3ccc(Cl)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFRYSROMSWUFB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCOCC3)c3ccc(Cl)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWOWLRYSDUDAO-LBPRGKRZSA-N", "SMILES:C[C@H]1COCCN1c1nc(-c2ccc(C(=O)NO)cc2)nc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWOWLRYSDUDAO-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccc(C(=O)NO)cc2)nc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLCOWDYQTJEXQL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCECPZOSNBTNRI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRDHRLXDBVXII-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCS(=O)(=O)CC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQKLCIHBXWAWPP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCC(F)(F)CC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKCYITYWNHOJSI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKADMRJFBWFFGD-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCCCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAOQHMNMDBNIGY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCSCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMUEQHRKTXPTB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCS(=O)(=O)CC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUYWRARQMJWTPG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(N3CCC(F)(F)CC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSNGAXUWEGZCBP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCCC3)c3ccc(Cl)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJTFSZVJMPIWDX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCCCC3)c3ccc(Cl)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYZJFNXSGNDBCD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCS(=O)(=O)CC3)c3ccc(Cl)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJGBVUDQMXKEM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc(N3CCC(F)(F)CC3)c3ccc(Cl)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUFRZJZOXVZIT-FQEVSTJZSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(N)CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGYMVFKSSDCCLP-PMACEKPBSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3COCCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQWJEMPWVHELPK-RJGXRXQPSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3CN4CCC[C@H]4CN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGIOYVBHXSQMR-PMACEKPBSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CCCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHGSPHVULTWIAL-SFTDATJTSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CC4(CC4)CN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCLFCKFQSXRSX-VXKWHMMOSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CC4(CCC4)CN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVGNUQWZCUMSOX-GOTSBHOMSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CC4(CCCC4)CN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHTORZALYOXAIJ-ZEQRLZLVSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CC4(CCCCC4)CN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNXAEODOHMWOX-TUFLPTIASA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3C[C@@H]4C[C@@H]4N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUTYJAXGFAXCL-ACESQOTJSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3C[C@H]4CCC[C@H]4N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUTYJAXGFAXCL-MLCQCVOFSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3C[C@@H]4CCC[C@@H]4N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWDTXSLPEZCSQO-ZJZGAYNASA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUTYJAXGFAXCL-LDVJMBRRSA-N", "SMILES:N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3C[C@H]4CCC[C@@H]4N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEGDZMXJLMWSQS-WMIMKTLMSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAQZLTXJUINGY-WMIMKTLMSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBGCRSWFMZQTD-BIHRQFPBSA-N", "SMILES:CS(=O)(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3)cc2)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEVLWAWEIDQJSG-BIHRQFPBSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3)cc2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLVKZTSJPKNQKL-CMOCDZPBSA-N", "SMILES:Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4C[C@@H]5CCCC[C@@H]5N4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXUHEMCQWSXNT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1cccc2c1ccn2CCCOc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRBFMUNJPPZBK-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cn(CCCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXSOXGWGXURMC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1cccc2c1c(-c1cccc(C(F)(F)F)c1)cn2CCCOc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGDQVKRMGYAUAI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cl)cc1-c1cccc2c1ccn2CCCOc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXWCEVDYNCKIB-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cn(CCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGIRPCIVVCEJFA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1cccc2c1c(-c1cccc(C(F)(F)F)c1)cn2CCOc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDXJYLGTEXEMFT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1cccc2c1c(-c1cccc(Cl)c1)cn2CCOc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWYCLMCITZZFP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUCDBAHTJBQSP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(CCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTXUCODNSFWJQ-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGXMFIZJBFLLNN-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BECPDRSBQZULOY-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTUBGRVWIESMZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cn(CCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVLAODDTBSTRJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(Cc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYHLNIIDQPAIP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cn(Cc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMRFYJHLUULFD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZHAFBNGVCHBW-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAXCMHZZKISMCD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1cccc2c1c(-c1cccc(Cl)c1)cn2Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCPADWESJRXBM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1cccc2c1c(-c1cccc(C(F)(F)F)c1)cn2Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRQBYGKJAKJADI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cn(Cc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIPPTVKFZQMJH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1cccc2c1c(-c1ccccc1)cn2Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDLLXGPPRBPCH-ACPCNFPYSA-N", "SMILES:CO[C@H]1/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)CNc2ccc3c(c2)N(CC[C@@]2(CCCc4cc(Cl)ccc42)CO3)C[C@@H]2CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUKHRSNGTHJNJS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(Cc1ccc(OCCN(C)C)cc1)c(-c1cc(OC)c(OC)c(OC)c1)n2Cc1ccc(OCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDSYKVRTVLULL-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Cc2c(-c3cc(OC)c(OC)c(OC)c3)n(Cc3ccc(OCCN(CC)CC)cc3)c3ccc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QURUSMXWORJGAT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(Cc1ccc(OC(C)CN(C)C)cc1)c(-c1cc(OC)c(OC)c(OC)c1)n2Cc1ccc(OC(C)CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULAGIYMSZRTLS-ZRDIBKRKSA-N", "SMILES:COc1cc(/C=C/C(=O)N(C)C)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPITTVAVXETJP-WYMLVPIESA-N", "SMILES:CCN(CC)C(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYQAAIUFHREOT-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CCc1ccc(OCc2ccccc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL68672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRFYKXAGRJRNP-SOFGYWHQSA-N", "SMILES:CCN(CC)C(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZLDJRIGZXZGAI-WYMLVPIESA-N", "SMILES:CCCN(CCC)C(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHBRIAHANPZPB-ZRDIBKRKSA-N", "SMILES:COc1cc(/C=C/C(=O)N(C)OC)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBAKKBYKPXCFEW-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CC(F)(F)C2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDNEPZKIPZPMZ-ZRDIBKRKSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCCC2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAYMDQBAADDMJR-ACCUITESSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCCCC2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZDIBNVAAKVBJ-DHZHZOJOSA-N", "SMILES:COc1cc(/C=C/CN2CCCCC2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOOVYOKDKIMTM-UXHICEINSA-N", "SMILES:COc1cc([C@H]2C[C@@H]2C(=O)N2CCCCC2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPBPTDBWYZPEKK-SJORKVTESA-N", "SMILES:COc1cc([C@H]2C[C@@H]2C(=O)N(C)C)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1511811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMHFUNKWUPIMP-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCOCC2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUWHOCHPKXNMMW-JLQMKUNGSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC[C@H]2C(=O)N2CCCCC2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPUBRQZAIZAFZ-AZBDZEDCSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC[C@H]2C(=O)NCc2ccccc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPUBRQZAIZAFZ-YEXLONIWSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTWAPISEFIYRNW-ODVYZXGQSA-N", "SMILES:COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTKNKNKBXJCIAO-OFOQCOESSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NCCOc2ccccc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTKNKNKBXJCIAO-DSDNZOFKSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC[C@H]2C(=O)NCCOc2ccccc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRMXPBEOVZKPS-WYMLVPIESA-N", "SMILES:CCN(CC)C(=O)C1CN(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVSMDPYZQKRCD-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CC(C(=O)N3CC(F)(F)C3)C2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZUFQITZNGEMDS-ACCUITESSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CC(C(=O)N3CCCCC3)C2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQMMZSQCMCTIQ-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CC(C(=O)N3CCOCC3)C2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBOBONFAHVHYRF-FYWRMAATSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CC(C(=O)NCc3ccccc3)C2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMUJNVMCOLXFD-ACCUITESSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCC(=O)N2CCCCC2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDWNDCUESYFPGO-FYWRMAATSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCC(=O)NCc2ccccc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUHUHWDJCSAPO-GXDHUFHOSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CC(C(=O)NCc3ccc(F)cc3)C2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBBNFBEEWZKQU-RVDMUPIBSA-N", "SMILES:COc1ccc(CNC(=O)C2CN(C(=O)/C=C/c3ccc(OCc4ccccc4)c(OC)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUWKYGAMSPEMA-ZRDIBKRKSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CC(C(=O)NCc3ccco3)C2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCAGAVMAEZTWNQ-FYWRMAATSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CC(C(=O)NCCOc3ccccc3)C2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARIJVJKCKRRCSL-RVDMUPIBSA-N", "SMILES:COc1ccc(CNC(=O)CCNC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYTRXIOXMWFLIG-FYWRMAATSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCC(=O)NCCOc2ccccc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHVQYTZQYZOJK-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2nnn[nH]2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YACOFOSLEXGZKW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncn2CCC(=O)NCCOc2ccccc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPAZBVJFTUVKGQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncn2CCC(=O)NCCc2ccccc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESDCMIZBDBCBJ-VQHVLOKHSA-N", "SMILES:CCN(CC)C(=O)/C=C/c1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSVYNMYIRDERE-GXDHUFHOSA-N", "SMILES:CCN(CC)C(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXWDGXREFMXZPN-VQHVLOKHSA-N", "SMILES:CCCN(CCC)C(=O)/C=C/c1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODLMUXYYLPZTB-CSKARUKUSA-N", "SMILES:CCCN(CCC)C(=O)/C=C/c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYUFMOJNPZCSX-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(O)C(F)(F)F)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JADBEEHLSJLTGV-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCc1ccc2c(c1)CCN2C(=O)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFNOZCWJALGBE-UHFFFAOYSA-N", "SMILES:CCC(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUAGEEMLDHJBGJ-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCFTOPMSQLCDH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(CNC(=O)c3cccs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXFVZSVOCOALV-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCc2cc(CNC(=O)c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPAIPJMJYDJWAI-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCc2cc(CNC(=O)c3cccc(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSAZXHPFVVWGCP-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCc2cc(CNC(=O)c3cccc(Cl)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1556126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLUQLBSSJTBQJ-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCc2cc(CNC(=O)c3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWMAJXMDGFSBJS-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCc2cc(CNC(=O)c3cccs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZFPJFHLRXSDB-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCc2cc(CNC(=O)c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLNANKEFAOSLD-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCc2cc(CNC(=O)c3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWYFWMLMFWNHW-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCc2cc(CNC(=O)c3ccc(Cl)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCIGMRYNXGXAD-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCc2cc(CNC(=O)c3cccs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWAFERADYWVIDZ-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)N1CCc2cc(CNC(=O)c3ccco3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVTCSXSHUAMUNY-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)N1CCc2cc(CNC(=O)c3cccs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIUSXVJVPOSJKT-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)N1CCc2cc(CNC(=O)c3cccnc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHACLNPTJLGTC-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCc2cc(CNC(=O)c3ccco3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWNBFWESQAQCA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)CCN2C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRAOPIUCCGVMW-UHFFFAOYSA-N", "SMILES:O=C(OC1CC1)N1CCc2cc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBAGZTQBEADXSC-UHFFFAOYSA-N", "SMILES:CCN(C(=O)N1CCc2cc(C3(C(=O)Nc4ccc(Cl)cc4)CCC3)ccc21)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQCODIIHUPZPIB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(c2ccc3c(c2)CCN3c2ccccn2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWPHIOVIJWGOPL-UHFFFAOYSA-N", "SMILES:Cc1nccc(N2CCc3cc(C4(C(=O)Nc5ccc(F)cc5)CCC4)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFICBBAQIJQTP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C1(c2ccc3c(c2)CCN3c2ccccn2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZAJVSJHPYBQHL-UHFFFAOYSA-N", "SMILES:O=C(OC1CC1)N1CCc2nc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVUAHQSFIYHKLQ-UHFFFAOYSA-N", "SMILES:O=C(OC1CC1)N1CCc2nc(C3(C(=O)Nc4ccc(Cl)cc4)CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNAXRGHBFTWNB-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCc2nc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAYGWGKRPKRVAE-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1)N1CCc2nc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJBDADYVIIWST-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(c2ccc3c(n2)CCN3c2ccccn2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEAFNDOFUYUDGR-UHFFFAOYSA-N", "SMILES:Cc1nccc(N2CCc3nc(C4(C(=O)Nc5ccc(F)cc5)CCC4)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYKUBPWZHNIIOZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(c2ccc3c(n2)CCN3c2ccnc(C(F)(F)F)n2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKIMAJOPUYNPU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C1(c2ccc3c(n2)CCN3c2ccccn2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNUBJCLKKDHMC-UHFFFAOYSA-N", "SMILES:Cc1nccc(N2CCc3nc(C4(C(=O)Nc5ccc(Cl)cc5)CCC4)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMXVNONAUSRRZ-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc3c(n2)CCN3C(=O)OC2CC2)CCC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYYKXPGKHSTVRT-UHFFFAOYSA-N", "SMILES:COCCOC(=O)N1CCc2nc(C3(NC(=O)c4ccc(Cl)cc4)CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNZHFSRCBQOKE-UHFFFAOYSA-N", "SMILES:Cc1nccc(N2CCc3nc(C4(NC(=O)c5ccc(Cl)cc5)CCC4)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGGFGUBBSFESIW-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc3c(n2)CCN3c2ccnc(C(F)(F)F)n2)CCC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVCBXJJZOUQRP-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc3c(n2)CCN3C(=O)OC2CC2)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJKWUCJFGKBJA-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc3c(n2)C2(CC2)CN3C(=O)OC2CC2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBBATSURWHVGPV-UHFFFAOYSA-N", "SMILES:Cc1nccc(N2CC3(CC3)c3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFUQDGXYCFAOST-FPOVZHCZSA-N", "SMILES:Cc1nccc(N2c3ccc(C4(NC(=O)c5ccc(F)cc5)CC4)cc3[C@@H]3C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFUQDGXYCFAOST-TZIWHRDSSA-N", "SMILES:Cc1nccc(N2c3ccc(C4(NC(=O)c5ccc(F)cc5)CC4)cc3[C@H]3C[C@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNIHFOLHILCPG-WMZOPIPTSA-N", "SMILES:COC(=O)N1c2ccc(C3(NC(=O)c4ccc(F)cc4)CC3)cc2[C@@H]2CC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNIHFOLHILCPG-SJLPKXTDSA-N", "SMILES:COC(=O)N1c2ccc(C3(NC(=O)c4ccc(F)cc4)CC3)cc2[C@H]2CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLZBRMKJHVJPG-FPOVZHCZSA-N", "SMILES:Cc1nccc(N2c3ccc(C4(NC(=O)c5ccc(F)cc5)CC4)cc3[C@@H]3CC[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLZBRMKJHVJPG-TZIWHRDSSA-N", "SMILES:Cc1nccc(N2c3ccc(C4(NC(=O)c5ccc(F)cc5)CC4)cc3[C@H]3CC[C@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071400", "category": ["biolink:ChemicalEntity"], "name": "SAQUAYAMYCINS A", "xref": ["InChIKey:PSCPFFPJZFSAMI-USAPNZCCSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O)C(=O)C[C@](C)(O[C@H]5CC[C@H](O[C@H]6C=CC(=O)[C@H](C)O6)[C@H](C)O5)C[C@@]4(O)C=C3)O[C@@H]2C)C=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4863432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUQKUPKWGZHYBN-OJCVVGMLSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@@]3(C)CC(=O)[C@]4(O)C5=C(C=C[C@]4(O)C3)C(=O)c3c(ccc([C@H]4C[C@H]6O[C@H]7CC(=O)[C@H](C)O[C@H]7O[C@H]6[C@@H](C)O4)c3O)C5=O)O[C@H]2C)C=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4866183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVLVPRNGMHOWPC-QLXZGUHNSA-N", "SMILES:C[C@@H]1O[C@H]2O[C@H]3[C@@H](C)O[C@@H](c4ccc5c(c4O)C(=O)C4=C(C5=O)[C@@]5(O)C(=O)C[C@](C)(O[C@H]6CC[C@H](O[C@H]7CC[C@H](O)[C@H](C)O7)[C@H](C)O6)C[C@@]5(O)C=C4)C[C@H]3O[C@H]2CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2071398", "category": ["biolink:ChemicalEntity"], "name": "SAQUAYAMYCIN K", "xref": ["InChIKey:IRUOUSKOEMSLSZ-HPBRJGKASA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@@]3(C)CC(=O)[C@]4(O)C5=C(C=C[C@]4(O)C3)C(=O)c3c(ccc([C@H]4C[C@@H](O)[C@H](O[C@H]6CC[C@H](O)[C@H](C)O6)[C@@H](C)O4)c3O)C5=O)O[C@H]2C)C=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1668770", "category": ["biolink:ChemicalEntity"], "name": "LANDOMYCIN A", "xref": ["InChIKey:YMSZNAXJMXNNPT-OPAYXXSESA-N", "SMILES:Cc1cc(O)c2c(c1)C[C@@H](O)C1=C2C(=O)c2c(O)ccc(O[C@H]3C[C@@H](O)[C@H](O[C@H]4C[C@@H](O[C@H]5CC[C@H](O[C@H]6C[C@@H](O)[C@H](O[C@H]7C[C@@H](O[C@H]8CC[C@H](O)[C@H](C)O8)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@H](C)O5)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4853264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDSDRVMDUIHOF-FMRUHSPYSA-N", "SMILES:Cc1cc(O)c2c(c1)C[C@@H](O)C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@H](O[C@H]4C[C@@H](O[C@H]5CC[C@H](O[C@H]6CC[C@H](O[C@H]7C[C@@H](O[C@H]8CC[C@H](O)[C@H](C)O8)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@H](C)O5)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4864360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBIZHWCUDGCBU-TXRHESFDSA-N", "SMILES:Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O[C@H]2C[C@@H](O)[C@H](O[C@H]4C[C@@H](O[C@H]5CC[C@H](O[C@H]6CC[C@H](O[C@H]7C[C@@H](O[C@H]8CC[C@H](O)[C@H](C)O8)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@H](C)O5)[C@H](O)[C@@H](C)O4)[C@@H](C)O2)cccc1C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4869327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCSKKUKGQIPPAF-MJXNYTJMSA-N", "SMILES:O=C(N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGKVJPCJOJUBP-JSCSOFAYSA-N", "SMILES:O=C(N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SESASYLTORGSTP-XKXQAKHTSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECGPQQFTDUAOT-KPCWAIEQSA-N", "SMILES:CC[C@H]1OC(O)[C@H](NC(=O)c2ccc(C)o2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCSKKUKGQIPPAF-OGADHKOYSA-N", "SMILES:O=C(N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXDAONSRHLRCLF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWAGEDFCAJXKDS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWOHBDXQYLBAN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXDKQXVDAQOOX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDMMKQTHARCGF-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHFXCJKXJLOMW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3sccc3Br)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPMWHZIEQIOVQB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURDMJLUHPHUMG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARJDDVIWZWJQDI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUYGAWGKHIMJKS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWYTOMFGJWYFE-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFUHNQRIIVETGH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEUHUJQIFXSYGT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIQOCEGSWLPJKE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLDRVAURZLJRDX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSXZLJQEKGQAF-UHFFFAOYSA-M", "SMILES:Nc1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHUAWNEKMITEW-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(O)cc2C(=O)c2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41286", "category": ["biolink:ChemicalEntity"], "name": "DIACEREIN", "xref": ["InChIKey:TYNLGDBUJLVSMA-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O"], "synonym": ["Diacerein", "Diacerein", "Diacerein", "Diacereine", "Diacereina", "Diacerein", "Rhein diacetate", "Ac-203", "Artrodar", "Diacerein", "Diacerhein", "Diacetylrhein", "Diora", "Verboril", "Zondar", "AC-201", "M-01AX21", "M01AX21", "NSC-758147", "SF-277", "Fisiodar", "Diacerein"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASDLSKCKYGVMAI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4860573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQZQGPILPZIYTL-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cccc2c1C(=O)c1ccc(C(=O)O)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFXAFXESBMYLD-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)c2c(c1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZPFDHLZRYNACN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)cc2c1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCEQTPJIVOSEJJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4849950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJVLGUSGCVLDE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)c2c(c1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMUWESAOLPTVMY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2c(c1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVLZQWNTEZDVNL-UHFFFAOYSA-N", "SMILES:CCOc1cccc2c1C(=O)c1ccc(C(=O)O)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPRWSKMJDGYAN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2oc3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXAIAURQPGLUAY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(=O)c3ccccc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNIYRBLTIFYAJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(=O)c3c(Cl)cccc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJIXNHKNEXBDTQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(=O)c3cc(Cl)ccc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMAXXLRMXXMHZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(=O)c3ccc(Cl)cc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXBPJOLPWBVLLT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(=O)c3cccc(Cl)c3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIJPYRPXYHNSM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2oc3c(Cl)cccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQTMHJSUIGMOLT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2oc3ccc(Cl)cc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJSUNQTRYLLMH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2oc3cccc(Cl)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSOQTUJOFAGGK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)c2oc3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILMGFIAVFSQSSX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)c2oc3c(Cl)cccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VACOADUNGKRHIY-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)cc2c(=O)c3ccccc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUFOAWNYZOREGP-UHFFFAOYSA-N", "SMILES:CC1Nc2ccccc2-n2cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFTQSJVRUIDTPJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)NC(C)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDPPUGTIQMDLB-UHFFFAOYSA-N", "SMILES:CC1Nc2cc(C(F)(F)F)ccc2-n2cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQPUMNHFBCWAW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)NC(C)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPCNHZNRPOGSV-UHFFFAOYSA-N", "SMILES:CC1Nc2ccc(Cl)cc2-n2cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIJACDPXAKCMSU-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-n1cccc1C(C)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTERRZWCUBMXGQ-UHFFFAOYSA-N", "SMILES:CC1Nc2cc(Cl)c(Cl)cc2-n2cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKQRBVJYSDCFNA-UHFFFAOYSA-N", "SMILES:CC1c2cccn2-c2ccccc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3288200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJOMPHXQPXYRIO-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPMCOHXIJELOK-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(Cl)cc2n2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYYAKMJZHEOGW-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(Cl)c(Cl)cc2n2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSCXBLUHRKZDD-UHFFFAOYSA-M", "SMILES:Cc1c2cccn2c2ccccc2[n+]1C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWTDURJLJGVGMM-UHFFFAOYSA-M", "SMILES:Cc1cccc(Cc2c3cccn3c3ccc(C(F)(F)F)cc3[n+]2C)c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRDFMDJCWHXKAH-UHFFFAOYSA-M", "SMILES:Cc1c2cccn2c2cc(Cl)ccc2[n+]1C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YORWEOCWQHGBAJ-UHFFFAOYSA-M", "SMILES:CCCC[n+]1c(C)c2cccn2c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKXMABKUVSOEJF-UHFFFAOYSA-N", "SMILES:CCCCCCS(=O)(=O)NC(=O)c1ccc(CSCc2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSUXOWHGHORHNO-FQBZQVDCSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@@H]3C(=CC[C@H]4[C@H]3CC[C@@H]3[C@@H]4CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3(C)C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JITOGCCOHOTFLI-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2nc3ccccc3n3cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBIRDRQSAQCBME-UHFFFAOYSA-N", "SMILES:O=C(O)CN(c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)CCO3)c2ccccc12)S(=O)(=O)c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTEDJVLKBYNKJK-UHFFFAOYSA-N", "SMILES:O=C(O)CN(c1ccc(N(CC(=O)O)S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c2ccccc12)S(=O)(=O)c1cc2c(cc1Cl)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXWDRWXFWXESQF-UHFFFAOYSA-N", "SMILES:O=C(O)CN(c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)CCCO3)c2ccccc12)S(=O)(=O)c1ccc2c(c1)CCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268291", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYLFORMAMIDE", "xref": ["InChIKey:ZMXDDKWLCZADIW-UHFFFAOYSA-N", "SMILES:CN(C)C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4868743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEFYKYCGPIQIN-RMKNXTFCSA-N", "SMILES:O=c1cc(/C=C/c2ccc(OCCCN3CCCC3)cc2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPQKSXMMBFABL-JXMROGBWSA-N", "SMILES:O=c1cc(/C=C/c2ccc(OCCCN3CCCCC3)cc2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEKIOWPFOBJUCA-QPJJXVBHSA-N", "SMILES:O=c1cc(/C=C/c2ccc(OCCCN3CCOCC3)cc2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPCOSJYPYDYCJ-VMPITWQZSA-N", "SMILES:CN1CCN(CCCOc2ccc(/C=C/c3cc(=O)c(O)co3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYMYKRDKPZZQCA-DHZHZOJOSA-N", "SMILES:CCN(CC)CCCOc1ccc(/C=C/c2cc(=O)c(O)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNDFJVVXJIMAU-RMKNXTFCSA-N", "SMILES:CN(C)CCCOc1ccc(/C=C/c2cc(=O)c(O)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLUPRGCLOPDKDV-JXMROGBWSA-N", "SMILES:Cc1oc(/C=C/c2ccc(OCCCN3CCCC3)cc2)cc(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLMVUSBHYGCMSO-DHZHZOJOSA-N", "SMILES:Cc1oc(/C=C/c2ccc(OCCCN3CCCCC3)cc2)cc(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVFYPTMZBZLZMD-VMPITWQZSA-N", "SMILES:Cn1cc(O)c(=O)cc1/C=C/c1ccc(OCCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAWYKKHMWUETCR-RMKNXTFCSA-N", "SMILES:Cn1cc(O)c(=O)cc1/C=C/c1ccc(OCCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZALKIOCSRZNBC-ZZXKWVIFSA-N", "SMILES:Cn1cc(O)c(=O)cc1/C=C/c1ccc(OCCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POALEMNPSNVXLZ-QPJJXVBHSA-N", "SMILES:CN1CCN(CCCOc2ccc(/C=C/c3cc(=O)c(O)cn3C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNCKUGQXJASDPM-JXMROGBWSA-N", "SMILES:CCN(CC)CCCOc1ccc(/C=C/c2cc(=O)c(O)cn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHRYMSVCIZFHBU-VMPITWQZSA-N", "SMILES:CN(C)CCCOc1ccc(/C=C/c2cc(=O)c(O)cn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFAXHVQJCKBSLE-RMKNXTFCSA-N", "SMILES:CCn1cc(O)c(=O)cc1/C=C/c1ccc(OCCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQMSWJRPAQNNNT-JXMROGBWSA-N", "SMILES:CCn1cc(O)c(=O)cc1/C=C/c1ccc(OCCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGKRZODUTWDTSN-YRNVUSSQSA-N", "SMILES:Oc1cccc2ccc(/C=C/c3ccc(OCCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHQFFBMZLTIAM-XYOKQWHBSA-N", "SMILES:Oc1cccc2ccc(/C=C/c3ccc(OCCCN4CCCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMIAAFUFNLRMF-MEVDHSCASA-J", "SMILES:CC(C)=CCC/C(C)=C/Cn1cc(CC(C)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBVZNRGWUCDKV-GPZOHOMCSA-J", "SMILES:CCC(Cc1cn(C/C=C(\\C)CCC=C(C)C)nn1)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWDCYQUCJGZKM-BLSNBFPRSA-J", "SMILES:CC(C)=CCC/C(C)=C/Cn1cc(CC(F)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCMLTBDMVFNCAB-BHZDOTFFSA-J", "SMILES:CC(C)=CCC/C(C)=C/Cn1cc(CC(CN)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVFNANSBQZIKF-BLSNBFPRSA-J", "SMILES:CC(C)=CCC/C(C)=C/Cn1cc(C=C(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMHUNLXKCMFJF-CURPJKDSSA-L", "SMILES:CC(C)=CCC/C(C)=C/Cn1cc(C2CC2(P(=O)([O-])[O-])P(=O)(O)O)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDMORUAVBGCMEW-BLSNBFPRSA-J", "SMILES:CC(C)=CCC/C(C)=C/Cn1cc(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSQVFIHMHRAMOC-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(-c2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)s2)cc1"]}
{"name": "Homeobox protein Hox-A9", "xref": ["CHEMBL.TARGET:CHEMBL4879429"], "id": "UniProtKB:P09631", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUPJZUTYDWXZAQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)c(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3665060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVQVBMWPWPTSNO-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDGMRMUJYGWQQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEABGXGNJUOXAX-UHFFFAOYSA-N", "SMILES:NC1CC1c1cc(F)cc(F)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQQFXBLESPXLHL-UHFFFAOYSA-N", "SMILES:NC1CC1c1cccc(F)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZZZWLLBMMVQQY-UHFFFAOYSA-N", "SMILES:NC1CC1c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTPSXFMGMQOVTG-STEQJIOHSA-N", "SMILES:NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXNZDLBTXVBDW-STEQJIOHSA-N", "SMILES:NC1CC1c1ccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIYEAILMJBDRZ-QLLQDVQFSA-N", "SMILES:O=C(N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)NCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEVVHHOKZMIXGC-OMYKBPHGSA-N", "SMILES:O=C(N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDFMNLSOYZOTR-OMYKBPHGSA-N", "SMILES:O=C(N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)NCc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRXJVGEJNTFDZ-OMYKBPHGSA-N", "SMILES:O=C(N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIYEAILMJBDRZ-GMQQYTKMSA-N", "SMILES:O=C(N[C@@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIYEAILMJBDRZ-PVHODMMVSA-N", "SMILES:O=C(N[C@@H](CCCCN[C@H]1C[C@@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRXJVGEJNTFDZ-XFCANUNOSA-N", "SMILES:O=C(N[C@@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRXJVGEJNTFDZ-CEUYOYMZSA-N", "SMILES:O=C(N[C@@H](CCCCN[C@H]1C[C@@H]1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1"]}
{"name": "Lysine-specific histone demethylase 1B", "xref": ["CHEMBL.TARGET:CHEMBL4879491"], "id": "UniProtKB:Q8CIG3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHQAVYFVODYTGV-UHFFFAOYSA-N", "SMILES:Cl.NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVWOUFCKCMSIG-UHFFFAOYSA-N", "SMILES:Cl.NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBPQDAPAUFMAX-JKSUJKDBSA-N", "SMILES:N[C@@H]1C[C@H]1c1ccc(C(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCINOBZMLCREGM-KPOIMINKSA-N", "SMILES:Cl.Cl.NC1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAMSXCOVJUUMCT-FCHUYYIVSA-N", "SMILES:CN1CCN(C(=O)CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILBWONNSUGTNM-QWHCGFSZSA-N", "SMILES:CN1CCN(C(=O)CN[C@@H]2C[C@H]2c2ccc(F)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUYVNUTAMQXJN-VXESANQCSA-N", "SMILES:N[C@H]1CCN(C(=O)CNC2CC2c2cc(F)cc(F)c2OCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKCLVXPAGTZSF-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)CNC2CC2c2cc(F)cc(F)c2OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFPAGOQZFSLFH-MCJVGQIASA-N", "SMILES:Cl.Cn1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPXTWCPGBCTFM-OLZOCXBDSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc([C@H]2C[C@@H]2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYGNRKAPDFSEJK-CVEARBPZSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc([C@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGAHRNIDLQRJU-UHFFFAOYSA-N", "SMILES:NC1CC12CCc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSQWQVMMJIVKO-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC1CC12CCc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNXZAGITEDCKMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1CNC1CC12CCc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRUDMCNKCTIBP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC2CC23CCc2ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDYMFLVMKNLNC-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC2CC23CCc2ccccc23)c(Cl)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPIPJBUMYLYKZ-UHFFFAOYSA-N", "SMILES:Fc1ccccc1CNC1CC12CCc1ccccc12"]}
{"name": "Lysine-specific histone demethylase 2", "xref": ["CHEMBL.TARGET:CHEMBL1938208"], "id": "UniProtKB:Q8NB78", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMCNVUMRNUOKS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVULIYLBRNHLEE-LFHXYJAASA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOc2ccc(Nc3ncc(C(F)(F)F)c(NCc4cccc(N(C)S(C)(=O)=O)c4)n3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKCIIMYQSRTZNM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccnc3N(C)S(C)(=O)=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBFUZBLGICAPK-UHFFFAOYSA-N", "SMILES:CN(C)c1nccn2c(-c3ccc4[nH]ncc4c3)c(-c3ccc(F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3634367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEXCOZQDANGMU-UHFFFAOYSA-N", "SMILES:CN(C)c1nccn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLJYQKOCIWRKQQ-UHFFFAOYSA-N", "SMILES:CSc1nccc(-c2c(-c3ccccc3)nc3c(Cl)nccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELKNWROXAPJEO-UHFFFAOYSA-N", "SMILES:CN(C)c1nccn2c(-c3ccnc(N)n3)c(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUFPIADJDYDIT-UHFFFAOYSA-N", "SMILES:CN(C)c1nccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXFJJIXYUECLL-UHFFFAOYSA-N", "SMILES:CSc1nccc(-c2c(-c3ccc(F)cc3)nc3c(N)nccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXRMQQANTCUKMP-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2c(-c3ccc(F)cc3)nc3c(N)nccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KASWNWVAOVGTLI-UHFFFAOYSA-N", "SMILES:CN(C)c1nccn2c(-c3cnn(C)c3)c(-c3ccc(F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBCQWAPUAUXQU-UHFFFAOYSA-N", "SMILES:CSc1nccc(-c2c(-c3ccccc3)nc3c(N(C)C)nccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGGGKATTVIRDT-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nc(N(C)C)nc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOQMPJXSXBXJK-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nc(N3CCN(C)CC3)nc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSUUCMGJORTRW-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRXFDBDWVMOAO-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(S(=O)(=O)N(C)C)CC3)nc(N(C)C)nc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4295057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APYDDDXODKJSMO-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)nc(N(C)C)nc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBYFDWOMCLRCL-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZZSGAKOMZPLQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJBJONSPGKZHH-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)nc(N(C)C)nc2cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAZREGUXNKTUBP-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(N(C)C)nc2cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMLOHOUQCCPAGM-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)N(C)C)CC3)nc(N(C)C)nc2cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZGVWTLFUIXYPH-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQMRXRYXCUHLZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCCCC3)nc(N(C)C)nc2cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBYGYCNSFZBGG-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJZXZNPHKBHVRG-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPZUMLBWGRQVBA-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTZOCSHDTGOTEC-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(CC4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOPUGYTOGUQJR-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(Cc4ccccc4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFAAFKAELXSNAX-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)C4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGWBGBRXLNGSK-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAISVWWVYLHQOK-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(S(=O)(=O)C(C)C)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRAXAXGANLDCX-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLPSNYJVSHPTIP-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)c4cccc(F)c4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCKUHRALBRAHKD-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)c4ccc(CN)cc4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEJSNGKVHUIRL-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C4CCCC4)CC3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAKZTWALKYFGC-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C4CCCC4)CC3)nc(N3CCN(C)CC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYVSUNBKKTXLIW-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C4CCCC4)CC3)nc(NCc3ccc(F)cc3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXOFXNCHNPSBZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C4CCCC4)CC3)nc(NCCCn3ccnc3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAUKZCINWLIETD-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C4CCCC4)CC3)nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBRVGSXZANYOHL-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C)CC3)nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUCWUDTYOWPUIA-UHFFFAOYSA-N", "SMILES:c1cc(CN2CCOCC2)ccc1CNCCCOc1ccc2nc(OCCCNCc3ccc(CN4CCOCC4)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCEDOFGUEOFHMO-CLJLJLNGSA-N", "SMILES:CN(C)[C@@H]1CCN(CCCOc2ccc(-c3nc4ccc(OCCCN5CC[C@@H](N(C)C)C5)cc4o3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNCYHZBORLEBP-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)CCCOc1ccc(-c2nc3ccc(OCCCN(C)CCN(C)C)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMYJXFUPMPMETB-UHFFFAOYSA-N", "SMILES:c1cc(-c2nc3ccc(OCCCN4CCCC4)cc3o2)ccc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFPGDMCKWMNOOV-CLJLJLNGSA-N", "SMILES:COC[C@H]1CCCN1CCCOc1ccc(-c2nc3ccc(OCCCN4CCC[C@@H]4COC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRIAWCQSFEARF-UHFFFAOYSA-N", "SMILES:CN(C)CCCN(C)CCCOc1ccc(-c2nc3ccc(OCCCN(C)CCCN(C)C)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUUCWDTTXKQBAS-UHFFFAOYSA-N", "SMILES:c1cc(-c2nc3ccc(OCCCN4CCCCC4)cc3o2)ccc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBVXDKBQVRJAF-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc2nc(-c3ccc(OCCCN(C)CCCN(C)C)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKAOMSRSICHXIU-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc2nc(-c3ccc(OCCCN(C)CCOCCOCCN(C)C)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCQBGAMPPYGID-UHFFFAOYSA-N", "SMILES:NCc1ccc(C(=O)Nc2cccc(-c3nc4cc(OCCCN5CCCC5)ccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYKNCJPLMJTHDR-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(C(=O)Nc2cccc(-c3nc4ccc(OCCCN5CCCC5)cc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBDDGJWWXNDJC-UHFFFAOYSA-N", "SMILES:C1=C(c2cccc(-c3nc4ccc(OCCCN5CCCC5)cc4o3)c2)CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMACZYRZYCCPKP-UHFFFAOYSA-N", "SMILES:c1cc(-c2nc3ccc(OCCCN4CCCC4)cc3o2)cc(C2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPRXBCGQCAEWFW-UHFFFAOYSA-N", "SMILES:c1cc(NC2CCNCC2)cc(-c2nc3ccc(OCCCN4CCCC4)cc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRTXAZNSFQCSIY-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC(Nc3cccc(-c4nc5cc(OCCCN6CCCC6)ccc5o4)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJHXIBCNZAWKC-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2cccc(-c3nc4ccc(OCCCN5CCCC5)cc4o3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMFXSWZSLQSKP-UHFFFAOYSA-N", "SMILES:CCSc1nc2c(N)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXTHNUCUAMMCPB-SCSAIBSYSA-N", "SMILES:Nc1ncnc2c1nc(Br)n2C[C@@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL95897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAQOTZQDXZDBJK-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWYPTARIKLZEPO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1cnc2c(=O)oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAZXLJKSQQPHKO-UHFFFAOYSA-N", "SMILES:CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2136303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVBIJZNYSXOSP-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(O)nnc(O)c2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFHSJYRYIZVLC-UHFFFAOYSA-N", "SMILES:CCCCSc1nnc2n(N)c(=O)c3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARJRPJCLLCYOIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N3CCNCC3)c3cc(OC)c(OCc4ccccc4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POXMGPAYFLGYAS-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N3CCN(C)CC3)c3cc(OC)c(OCc4ccccc4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTYNHPMXQPIHMW-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C)CC3)nc(NCCCN3CCN(C)CC3)nc2cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBRHOFWEOJYOM-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N3CCN(C4CCCC4)CC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKBHQDWLLOMBD-UHFFFAOYSA-N", "SMILES:COc1cc2c(N(C)C)nc(N3CCN(C)CC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRTSEZFECAGUGC-YWZLYKJASA-N", "SMILES:CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3ccccc3C#N)nn1)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOGEGUEZMLWAE-YWZLYKJASA-N", "SMILES:CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3ccc(C#N)cc3)nn1)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUUDZIJFTZWMQM-DJJJIMSYSA-N", "SMILES:CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3ccccc3F)nn1)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBILSDYZVURYQJ-DJJJIMSYSA-N", "SMILES:CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3ccccc3Cl)nn1)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSICMZPWJMIGO-DJJJIMSYSA-N", "SMILES:CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3cccc(Cl)c3)nn1)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGTYMYCKTQIWQM-DJJJIMSYSA-N", "SMILES:CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3cccc(Br)c3)nn1)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMGYZPERJSVRG-LIRRHRJNSA-N", "SMILES:CC1(C)[C@H]2CC[C@]1(C)N(Cc1cn(-c3ccccc3)nn1)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIIMKINUKDOIP-UHFFFAOYSA-N", "SMILES:O=C(c1c(F)ccc(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITQXDGVBQEJQA-UHFFFAOYSA-N", "SMILES:O=C(c1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYLHFSLGJWFADG-UHFFFAOYSA-N", "SMILES:O=C(c1c(F)ccc(NS(=O)(=O)CCCF)c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYVHRGXNKMPDO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccccc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJYXJZFPQXMDG-UHFFFAOYSA-N", "SMILES:C#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)CCC)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAARMKAGMSYDBF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccco4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCDVDVXKNIZKQZ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccs4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKMKHVZQZWZJJF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(Cl)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSXSLOKHYAGLC-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMVUBNGIXPZWQR-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(F)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNUOWLDFSRHBG-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccccc4F)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFSLMYNKUITOD-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBHEBAPMMDZKT-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(C)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEEVBQHRUFJEAI-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSPYVGMAWDTSG-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(OC)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCAUNVDBYFRUHO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4F)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFRYXKSYMLOTK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4F)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGEARWCZUJJWLS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNAVATNSOVVZAK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4OC)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMXBAXPTWEBOO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc5c(c4)OCO5)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYKICAOJTYRHJP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc5c(c4)OCCO5)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3921859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDZUTJYMOJFETL-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cncnc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZFLIKCOKGNCIB-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ncccn4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNOYWRVOKXGSRF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnccn4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKLQLLOZGKSQJI-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnc(OC)nc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTPJKLSXGUCOK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnc(C5CC5)nc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBKQIUFIUUSLMZ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPIJIPTOGAGGS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSRHNLHIRVYCJ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccccc4OC)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGJHQHGZRMYAR-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCRHVYMPVOZLCK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFKWSMOXSCNEN-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UARMZGUUQWRRDH-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVANBTXZMFYHN-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ncnc3[nH]c4ccc(O)cc4c23)cc1"]}
{"name": "Dual specificity mitogen-activated protein kinase kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL2201"], "id": "UniProtKB:P47809", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFRVDRDCKEVOF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRBPTPAARHDBCC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEMIDQRHVCZTBV-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRKUEWPNIVKAW-UHFFFAOYSA-N", "SMILES:CCCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARBDBLMNSJWRF-UHFFFAOYSA-N", "SMILES:CCCCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCGDOCVJCKIBPU-UHFFFAOYSA-N", "SMILES:COCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNQAZOAUPUHCH-UHFFFAOYSA-N", "SMILES:O=C(c1c(F)ccc(NS(=O)(=O)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCLJRTXCQGFJGH-UHFFFAOYSA-N", "SMILES:O=C(c1c(F)ccc(NS(=O)(=O)CCc2ccccc2)c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZFFJQJHPNVAL-UHFFFAOYSA-N", "SMILES:O=C(c1c(F)ccc(NS(=O)(=O)Cc2ccc(F)cc2)c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUXLAVULVGSUMM-UHFFFAOYSA-N", "SMILES:O=C(c1c(F)ccc(NS(=O)(=O)Cc2cccc(F)c2)c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAUIVMWPLBUTRW-UHFFFAOYSA-N", "SMILES:O=C(c1c(F)ccc(NS(=O)(=O)Cc2ccccc2F)c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFOOMCXQZHBJQH-UHFFFAOYSA-N", "SMILES:Cc1ccc(CS(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBWLVQUZJLWGJD-UHFFFAOYSA-N", "SMILES:Cc1cccc(CS(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPOMGPGVKGHHO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccccc4Cl)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEZALJDUGTJMP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccccc4C)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRVVVFXPYCXBI-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4C)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAHZTSJPIKAHTJ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4Cl)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHIJNODLIHKGD-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4C)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGUMPUVDVBJEM-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4Cl)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEGIJPDXKOISNI-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cc5c(cc4Cl)OCO5)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPDAKVOVCAOZBW-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cc5c(cc4Cl)OCCO5)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPNCZAOAJYILLT-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEASUUCBCVHUOF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCDXJMBWIHHQNJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBTGZIGLXHMBAC-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQELWGSNUSSUPG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)Cc5ccccc5)c4F)c3c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWAZNZRIDNEWIG-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOICNFFUMVDFD-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cc4c(cc3Cl)OCO4)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATCUWKEZMKGMP-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cc4c(cc3Cl)OCCO4)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNUCFYAGMGVERJ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)Cc5ccccc5)c4F)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFFJTSUEUAVTPG-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDAOBCFKYHWEPF-NUFMUZPCSA-N", "SMILES:CC(C)CC(NC(=O)C(CCCCNC(=O)/C=N/OCC(=O)OCC1OC(n2ccc(N)nc2=O)C(F)(F)C1O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1cc2ccccc2[nH]1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXXDQRITGHFBH-ZRDIBKRKSA-N", "SMILES:O=C(OCCn1c([N+](=O)[O-])cnc1/C=C/c1ccc2ccccc2c1)c1nccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGQMZRMTSKCDT-FMIVXFBMSA-N", "SMILES:CN(C)c1ccc(/C=C/c2ncc([N+](=O)[O-])n2CCOC(=O)c2nccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQOUVSHMBYJEIH-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C(=O)Cn2cncc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUJVDLCZLHRLE-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCn1cc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nn1"]}
{"name": "Beta-glucuronidase", "xref": ["CHEMBL.TARGET:CHEMBL2728"], "id": "UniProtKB:P08236", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808316", "category": ["biolink:ChemicalEntity"], "name": "D-SACCHARIC ACID 1,4-LACTONE", "xref": ["InChIKey:XECPAIJNBXCOBO-MMPJQOAZSA-N", "SMILES:O=C(O)[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4876707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZNUPNIWZCXGKL-QFEZKATASA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOc1ccc(/C=N\\c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQALYPOUOCHSCK-QFEZKATASA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOc1cccc(/C=N\\c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZDXMOVGCZWZDQ-MSXFZWOLSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOc1ccc(/C=N\\c2ccc(S(=O)(=O)NC(=N)N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSGGOYNQIHGRMC-QFEZKATASA-N", "SMILES:Cc1cc(NNS(=O)(=O)c2ccc(/N=C\\c3ccc(OCCn4c([N+](=O)[O-])cnc4C)cc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSUUFVXZQWZIAX-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCNC(=S)NCCc1ccc(NS(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPBKTMCQQPUMR-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCNC(=S)NCCc1ccc(OS(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDMRPQONKGFDR-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCS(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVMGWRGTKNFFEY-UHFFFAOYSA-N", "SMILES:Cc1cccc(COCCn2c([N+](=O)[O-])cnc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRPUWJRCJRUGI-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYLCTXUMRGGDT-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYFKZQIFRBYQO-UHFFFAOYSA-N", "SMILES:Cc1ccc(COCCn2c([N+](=O)[O-])cnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVDYSHZQARKRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(COCCn2c([N+](=O)[O-])cnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKESDTFOPDODKE-UHFFFAOYSA-N", "SMILES:COc1cc(COCCn2c([N+](=O)[O-])cnc2C)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZUTTNSHOUAKW-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APOTUSGMZRAPHK-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACKUXUEDWMBMF-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXHBVSNLIHAQDM-UHFFFAOYSA-N", "SMILES:COc1cccc(COCCn2c([N+](=O)[O-])cnc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWZWQQUVGTWHK-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVTWZRJSPWIGDT-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGPSWDDCAYLGSC-UHFFFAOYSA-N", "SMILES:Cc1cc(COCCn2c([N+](=O)[O-])cnc2C)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSFGKKNXBSXNE-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXBHUBHHNWWAAB-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDITUHURFZGMEF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1COCCn1c([N+](=O)[O-])cnc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITXIVOTQFRVIG-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPWMMLKPCZYCIT-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAMHPOWCPOPESQ-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNRTFSDGRXLRP-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1CCOCc1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQXTWICEBZJNA-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N(C)C)cc3OC)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLPUJWFJCPANJ-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3OC)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDRDLYEVJNXQQ-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N(C)C)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMCOXAGLISRBMT-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N(CC)CC)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PASNFOQTENHQQL-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBOVSNBFFTZPU-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJOZUDSPRDIMA-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCC(OC)CC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIXGPOPXYOEMDA-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGAVHUGJSGAGCH-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHLDCNJLWHHJKL-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3Cl)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDGJBAUIGHSMRI-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSDJDLAKKAWCI-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2cnn(C3CCNCC3)c2)nc2c1N(C)C(=O)c1cc3ccccc3cc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMIKVVPLAGCGB-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(C(F)(F)F)nc(Nc3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3)n2)cc1"]}
{"name": "Extracellular serine/threonine protein kinase FAM20C", "xref": ["CHEMBL.TARGET:CHEMBL4879492"], "id": "UniProtKB:Q8IXL6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLAYKAAMSKGYKY-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(C)nc(Nc3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMLNNJDCPKTLL-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(Nc3nccc(Nc4cc(OC)c(OC)c(OC)c4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGHBNXZWJUJKH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(Nc4cc(OC)c(OC)c(OC)c4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNJNWZKAPLPXAV-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(Br)c2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NULDMQXOPYHTEN-UHFFFAOYSA-N", "SMILES:Nc1nc(Cc2ccccc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWEHFIDUVARCKN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cn3c(nc4cc(F)c(F)cc43)c(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAWGBRLDWPTNF-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHCFPLQFZRYIR-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cn2c(nc3ccccc32)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWANJQWYNUYFR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cn3c(nc4ccccc43)c(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWHSMWXEZREJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn3c(nc4ccccc43)c(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGDBVCXJFYULL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cn3c(nc4ccccc43)c(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDYXYWPLHISWKE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3c(nc4ccccc43)c(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLYYTTPEUPIGEA-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(O)cc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXANDFPNVQWANX-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Cl)cc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDHWQRJAMUGPK-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Br)cc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOIBEXKWOSRHBW-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(F)cc2F)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOPZXIDBNQYFKE-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(C(F)(F)F)cc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOASYOAYSBPKFR-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(OC(F)(F)F)cc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHGXAKDMFCTHQX-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc([N+](=O)[O-])cc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNEBQUVKDJITCA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cn3c(nc4ccccc43)c(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QALUVXHIFJESHF-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLODFCVEMZTSTJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cn3c(nc4ccccc43)c(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHCRXIFIIHVQV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2cn3c(nc4ccccc43)c(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRCPNMBNAPFCS-UHFFFAOYSA-N", "SMILES:Nc1nc(CO)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGIFJHVHFRNKY-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)nc(N)c2nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YILKZADAWNUTTB-QLWRWLBVSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(O)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4846243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAGBWVNSVWLTKY-ZFWLQQAWSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL508955", "category": ["biolink:ChemicalEntity"], "name": "AKUAMMICINE", "xref": ["InChIKey:AGZMFTKKLPHOMT-DUJTVWLASA-N", "SMILES:C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccccc14"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4874877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBHALCZZZWCCLV-XIPRXZKPSA-N", "SMILES:C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4852987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXTJMQCRVFWNBD-FTHDSKJGSA-N", "SMILES:C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@]5(COC(C)=O)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4856018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEFXZXHYFOPIE-GJZACXSBSA-N", "SMILES:C/C=C1/CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@]3(CO)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4848659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQKNFDAEDTRJK-LIOWZGMGSA-N", "SMILES:CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)/C=C/[C@H](C)C[C@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL376644", "category": ["biolink:ChemicalEntity"], "name": "SALVIGENIN", "xref": ["InChIKey:QCDYOIZVELGOLZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL487402", "category": ["biolink:ChemicalEntity"], "name": "EUPATORIN", "xref": ["InChIKey:KLAOKWJLUQKWIF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4846815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLOVECPIRCHBL-UHFFFAOYSA-N", "SMILES:O=c1ccoc2cc(Oc3ccc4c(c3)COB4O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQFVDHWNYWFLG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2ccc(Oc3ccc4c(c3)COB4O)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPYXZBRNWKHGL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2cc(Oc3ccc4c(c3)COB4O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZWLLJMIMITMP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2cc(Oc3ccc4c(c3)COB4O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZCYDBALOLUZSP-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnn2ccc(Oc3ccc4c(c3)COB4O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOOLJWMGFCQRAB-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2nc(Oc3ccc4c(c3)COB4O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOULLIRLRILJTF-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(Oc2ccc3c(c2)COB3O)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYIXDQCBMUIBI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2nc(Oc3ccc4c(c3)COB4O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSCHGDXHWKJRD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc2nc(Oc3ccc4c(c3)COB4O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARDMPFDMFBSYKB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2nc(Oc3ccc4c(c3)COB4O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGERWLKZUWRILJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc2nc(Oc3ccc4c(c3)COB4O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQXQRFBPLVJPU-UHFFFAOYSA-N", "SMILES:OB1OCc2cc(Oc3ccc4c(C(F)(F)F)cccc4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGDFZCBXPWOWRA-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2nc(Oc3ccc4c(c3)COB4O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZSJRMZCOFGIJ-UHFFFAOYSA-N", "SMILES:OB1OCc2cc(Oc3ccc4cc(C(F)(F)F)ccc4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHCUDHXLSGAHG-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCCCCCCCCC(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFDAXDYPSSRZOD-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCCC(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKXLQCIOURANAD-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHQIIEBXYALHCG-KEKNWZKVSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMGOOMRAWIECBH-WCSIJFPASA-N", "SMILES:N=C(N)NCC(=O)NCCCC[C@H](NC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBGLNJRDKNWAQG-AMVUTOCUSA-N", "SMILES:N=C(N)NCCCCC(=O)NCCCC[C@H](NC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLJJEOPGFKNIW-XIJSCUBXSA-N", "SMILES:N=C(N)NCCCCCCCC(=O)NCCCC[C@H](NC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMHCYVXCLJAPOJ-JYUUXGOASA-N", "SMILES:N=C(N)NCCCCCCCCCCC(=O)NCCCC[C@H](NC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLQPFKJBHMNKSS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OC(CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTTZBHANUPDHTD-UHFFFAOYSA-N", "SMILES:COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBKNKYKTXRAAEO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OC(CCCN)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHOTTZWILNLVKK-UHFFFAOYSA-N", "SMILES:COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCN)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRUQSGJWMIEOP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OC(CCCNC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPINBKJJMKRWJU-UHFFFAOYSA-N", "SMILES:COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCNC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYZZUMRPJYAMQC-DNKZHYAASA-N", "SMILES:COCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCMBRTMPYCXUGM-HOMNMMCZSA-N", "SMILES:COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERQZWZQLSONAD-ICVNMNBOSA-N", "SMILES:COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XESNEOBORQMRNB-QPJJXVBHSA-N", "SMILES:COc1cc(/C=C/c2nc(NC3CC3)c3sccc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVCWPSGDGBBNK-BJMVGYQFSA-N", "SMILES:COc1ccc(Nc2nc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc3ccsc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFBQZJRZRYFCLG-RUDMXATFSA-N", "SMILES:COc1cc(/C=C/c2nc(Nc3ccc(C(F)(F)F)cc3)c3sccc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTAGPVPONAIIBZ-RUDMXATFSA-N", "SMILES:COc1cc(/C=C/c2nc(Nc3ccc(O)cc3)c3sccc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBNZDUNVKSATTM-MDZDMXLPSA-N", "SMILES:COc1cc(/C=C/c2nc(NCc3ccccc3)c3sccc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAULYOROXYPURJ-MDZDMXLPSA-N", "SMILES:COc1cc(/C=C/c2nc(NCc3ccc(C)cc3)c3sccc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKDBAOPBWNWNEN-JXMROGBWSA-N", "SMILES:COc1ccc(CNc2nc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc3ccsc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MROHTDWWBCQREP-RMKNXTFCSA-N", "SMILES:COc1cc(/C=C/c2nc(NCc3ccc(Cl)cc3)c3sccc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYFFTVGXUBGZJH-SNAWJCMRSA-N", "SMILES:COc1cc(/C=C/c2nc(NCc3ccncc3)c3sccc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYGCUPDNENIRQH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3nccc(-c4c[nH]c5ncccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWJHAJGDMNFNU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cn(C)c5ncccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGIRIPQQEQZJIY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(Nc3nccc(-c4c[nH]c5ncccc45)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PETRMFAIRNHKGK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(Nc3nccc(-c4cn(C)c5ncccc45)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISLYHZGPUPOHU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCCN(c2cccc(Nc3nccc(-c4c[nH]c5ncccc45)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADVNCSNMCTMIX-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCCN(c2cccc(Nc3nccc(-c4cnc5n(C)cccc4-5)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTEAZMJTOCQRPT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3nccc(-c4c[nH]c5cccnc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFHPUNNVNIMJV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(Nc3nccc(-c4c[nH]c5cccnc45)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAQPJACOYCYQDB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCCN(c2cccc(Nc3nccc(-c4c[nH]c5cccnc45)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXWBUJYFIIWAY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3nccc(-c4c[nH]c5ccccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKHLVWWBFXTHA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cn(C)c5ccccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBWSPGXHCOBSP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(C#N)c(-c4c[nH]c5ccccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSMGEZSPFGMTPE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(C#N)c(-c4cn(C)c5ccccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZGXSHMVAJZHIL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(C#N)c(-c4c(C)[nH]c5ccccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBLAREFJDPHRAT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3nccc(-c4nn(C)c5ccccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJZJRVZMBHHJE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(C#N)c(-c4n[nH]c5ccccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHLNWRDTNQHABM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCCN(c2cccc(Nc3nccc(-c4n[nH]c5ccccc45)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWAXWDPAAMQUQH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ccccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCJSYGDOXQRQP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3nccc(-c4n[nH]c5ccccc45)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLPGHLCMPAECW-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccsc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARDDBZKGVEVKB-VXLYETTFSA-N", "SMILES:COc1cc(/C=N/n2c(SC)nnc2-c2ccccc2)c(Br)cc1O"]}
{"name": "Nucleolar protein 56", "xref": ["CHEMBL.TARGET:CHEMBL4879510"], "id": "UniProtKB:Q9D6Z1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Survival motor neuron protein", "xref": ["CHEMBL.TARGET:CHEMBL4879450"], "id": "UniProtKB:P97801", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Eukaryotic translation initiation factor 5B", "xref": ["CHEMBL.TARGET:CHEMBL4879453"], "id": "UniProtKB:Q05D44", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Host cell factor 1", "xref": ["CHEMBL.TARGET:CHEMBL4879471"], "id": "UniProtKB:Q61191", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Bcl-2-associated transcription factor 1", "xref": ["CHEMBL.TARGET:CHEMBL4879494"], "id": "UniProtKB:Q8K019", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Catenin alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4879433"], "id": "UniProtKB:P26231", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Eukaryotic translation initiation factor 2 subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL4879504"], "id": "UniProtKB:Q99L45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA topoisomerase 2-beta", "xref": ["CHEMBL.TARGET:CHEMBL5564"], "id": "UniProtKB:Q64511", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "UPF0690 protein C1orf52 homolog", "xref": ["CHEMBL.TARGET:CHEMBL4879508"], "id": "UniProtKB:Q9CWU4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Baculoviral IAP repeat-containing protein 6", "synonym": ["Dual E2 ubiquitin-conjugating enzyme/E3 ubiquitin-protein ligase BIRC6"], "xref": ["CHEMBL.TARGET:CHEMBL4879421"], "id": "UniProtKB:O88738", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1", "xref": ["CHEMBL.TARGET:CHEMBL4879452"], "id": "UniProtKB:Q04692", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Nucleolar RNA helicase 2", "xref": ["CHEMBL.TARGET:CHEMBL4879519"], "id": "UniProtKB:Q9JIK5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "WD repeat and HMG-box DNA-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4879444"], "id": "UniProtKB:P59328", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA polymerase delta subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL4879511"], "id": "UniProtKB:Q9EQ28", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Serine/threonine-protein phosphatase 6 regulatory subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL4879500"], "id": "UniProtKB:Q922D4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Small ubiquitin-related modifier 1", "xref": ["CHEMBL.TARGET:CHEMBL4879447"], "id": "UniProtKB:P63166", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Autophagy-related protein 9A", "xref": ["CHEMBL.TARGET:CHEMBL4879478"], "id": "UniProtKB:Q68FE2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "tRNA (guanine(26)-N(2))-dimethyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4879462"], "id": "UniProtKB:Q3TX08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Centrosomal protein of 170 kDa", "xref": ["CHEMBL.TARGET:CHEMBL4879479"], "id": "UniProtKB:Q6A065", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Zinc finger and BTB domain-containing protein 7A", "xref": ["CHEMBL.TARGET:CHEMBL4879422"], "id": "UniProtKB:O88939", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Synembryn-A", "synonym": ["Chaperone Ric-8A"], "xref": ["CHEMBL.TARGET:CHEMBL4879461"], "id": "UniProtKB:Q3TIR3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Serine/threonine-protein kinase PAK 1", "xref": ["CHEMBL.TARGET:CHEMBL4295682"], "id": "UniProtKB:O88643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Kinectin", "xref": ["CHEMBL.TARGET:CHEMBL4879473"], "id": "UniProtKB:Q61595", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "DNA replication licensing factor MCM2", "xref": ["CHEMBL.TARGET:CHEMBL4879449"], "id": "UniProtKB:P97310", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Enhancer of mRNA-decapping protein 4", "xref": ["CHEMBL.TARGET:CHEMBL4879464"], "id": "UniProtKB:Q3UJB9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "EH domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4879485"], "id": "UniProtKB:Q8BH64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Striatin", "xref": ["CHEMBL.TARGET:CHEMBL4879416"], "id": "UniProtKB:O55106", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Sequestosome-1", "xref": ["CHEMBL.TARGET:CHEMBL4879477"], "id": "UniProtKB:Q64337", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Serine/arginine repetitive matrix protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4879466"], "id": "UniProtKB:Q52KI8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "LIM domain and actin-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4879513"], "id": "UniProtKB:Q9ERG0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "E3 ubiquitin-protein ligase Praja-1", "xref": ["CHEMBL.TARGET:CHEMBL4879417"], "id": "UniProtKB:O55176", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Prostaglandin E synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL4879487"], "id": "UniProtKB:Q8BWM0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Rho GTPase-activating protein 35", "xref": ["CHEMBL.TARGET:CHEMBL4879499"], "id": "UniProtKB:Q91YM2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Coiled-coil domain-containing protein 43", "xref": ["CHEMBL.TARGET:CHEMBL4879507"], "id": "UniProtKB:Q9CR29", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Acetyl-CoA carboxylase 1", "xref": ["CHEMBL.TARGET:CHEMBL3086"], "id": "UniProtKB:Q5SWU9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Transcriptional regulator ATRX", "xref": ["CHEMBL.TARGET:CHEMBL4879474"], "id": "UniProtKB:Q61687", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Band 4.1-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4879527"], "id": "UniProtKB:Q9Z2H5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Protein transport protein Sec31A", "xref": ["CHEMBL.TARGET:CHEMBL4879465"], "id": "UniProtKB:Q3UPL0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Fermitin family homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL4879490"], "id": "UniProtKB:Q8CIB5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "182 kDa tankyrase-1-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL4879443"], "id": "UniProtKB:P58871", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Charged multivesicular body protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4879506"], "id": "UniProtKB:Q9CQ10", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Desmoyokin", "xref": ["CHEMBL.TARGET:CHEMBL4879472"], "id": "UniProtKB:Q61484", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Dihydropyrimidinase-related protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4879475"], "id": "UniProtKB:Q62188", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "La-related protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4879482"], "id": "UniProtKB:Q6ZQ58", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Pleckstrin homology-like domain family B member 1", "xref": ["CHEMBL.TARGET:CHEMBL4879480"], "id": "UniProtKB:Q6PDH0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-3", "xref": ["CHEMBL.TARGET:CHEMBL4879495"], "id": "UniProtKB:Q8K2J0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Tight junction protein ZO-2", "synonym": ["Tight junction protein 2"], "xref": ["CHEMBL.TARGET:CHEMBL4879525"], "id": "UniProtKB:Q9Z0U1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Protein IMPACT", "xref": ["CHEMBL.TARGET:CHEMBL4879415"], "id": "UniProtKB:O55091", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Importin subunit alpha-4", "xref": ["CHEMBL.TARGET:CHEMBL4879412"], "id": "UniProtKB:O35344", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Lamina-associated polypeptide 2, isoforms beta/delta/epsilon/gamma", "xref": ["CHEMBL.TARGET:CHEMBL4879470"], "id": "UniProtKB:Q61029", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Phosducin-like protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4879486"], "id": "UniProtKB:Q8BVF2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "WASH complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL4879481"], "id": "UniProtKB:Q6PGL7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Unconventional myosin-XVIIIa", "xref": ["CHEMBL.TARGET:CHEMBL4879522"], "id": "UniProtKB:Q9JMH9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "E3 ubiquitin-protein ligase NEDD4", "xref": ["CHEMBL.TARGET:CHEMBL4879438"], "id": "UniProtKB:P46935", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 10", "xref": ["CHEMBL.TARGET:CHEMBL4879440"], "id": "UniProtKB:P52479", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ribosome quality control complex subunit NEMF", "xref": ["CHEMBL.TARGET:CHEMBL4879489"], "id": "UniProtKB:Q8CCP0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Elongin-A", "xref": ["CHEMBL.TARGET:CHEMBL4879488"], "id": "UniProtKB:Q8CB77", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Splicing factor 3B subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL4879463"], "id": "UniProtKB:Q3UJB0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Heterogeneous nuclear ribonucleoproteins C1/C2", "xref": ["CHEMBL.TARGET:CHEMBL4879526"], "id": "UniProtKB:Q9Z204", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Condensin complex subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL4879496"], "id": "UniProtKB:Q8K2Z4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Anaphase-promoting complex subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL4879498"], "id": "UniProtKB:Q91W96", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTIAXUAWMLBIGP-LLVKDONJSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQMUCDHVVOENY-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)/N=C(\\N)NCCCc1sc(N)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKSIHLRCNTALR-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBDKZARCOUAFU-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXMCQSKYJYGHB-UHFFFAOYSA-N", "SMILES:CCCNC(=O)/N=C(\\N)NCCCc1sc(N)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKIPXVNSJRXNTQ-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)/N=C(\\N)NCCCc1sc(N)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HINPSJCWPJZPIN-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGWQQNKIVMZLG-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWGMVWWARNRMV-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTIAXUAWMLBIGP-NSHDSACASA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTHKEYGLMPNKT-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKIMBPNGXDKNLX-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)/N=C(\\N)NCCCc1sc(N)nc1C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBYQHKJRAFWOK-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIBHXUIZGKHXII-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)NC(=O)/N=C(\\N)NCCCc2sc(N)nc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNBZCXFBJXUZDH-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLUKJXBXVAJVDL-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJEJWKDCZAYCBI-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJLDSBZFVQXZLR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)NC(=O)/N=C(\\N)NCCCc2sc(N)nc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHCLKMYQQVHYLG-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFEWMOFTNZUAGI-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIGCJXOUXGMUOW-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZDWSPIRGJHBII-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHMDLNQDIRPFB-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTOCIZKLCRDDHX-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHAIFKWYGPTRN-LBPRGKRZSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHAIFKWYGPTRN-GFCCVEGCSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGRVOYIHHOLSHQ-UHFFFAOYSA-N", "SMILES:CCC(CNC(=O)/N=C(\\N)NCCCc1sc(N)nc1C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFABJVBAIQBMNP-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGLIGBDVREXSK-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOPXEUGGDXDMDT-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIZMGZSJEDDVNF-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(C)CNC(=O)/N=C(\\N)NCCCc2sc(N)nc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCLJDQWYJTBAN-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYUKINNXLNULMD-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBPANBCCKECLK-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTIIYCXIXRNPB-LLVKDONJSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTIIYCXIXRNPB-NSHDSACASA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXKBMQMURVKQBP-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBVQPPOGCHJKE-LBPRGKRZSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBVQPPOGCHJKE-GFCCVEGCSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTHGRYFMPGYHV-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)/N=C(\\N)NC1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOIIIBWVKNCMBP-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249420", "category": ["biolink:ChemicalEntity"], "name": "DEXPRAMIPEXOLE", "xref": ["InChIKey:FASDKYOPVNHBLU-SSDOTTSWSA-N", "SMILES:CCCN[C@@H]1CCc2nc(N)sc2C1"], "synonym": ["Dexpramipexole", "Dexpramipexol", "(r)-pramipexole", "Dexpramipexole", "Dexpramipexole"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4858567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGDPXWZXXDZGP-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOLQHOLUTCBJLO-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAMVPRDOVPKGPL-UHFFFAOYSA-N", "SMILES:CCCNC(=O)/N=C(\\N)Nc1cccc(-c2csc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIAIPKXPWLPGV-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)/N=C(\\N)Nc1cccc(-c2csc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOHZLVJEBWAAAJ-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)NC1CCCCC1)Nc1cccc(-c2csc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTKSUMOFGILEK-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)Nc1ccccc1)Nc1cccc(-c2csc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEBATXBCKZUTMX-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)NCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVRCQPUHTZIEZ-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)NCCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330348", "category": ["biolink:ChemicalEntity"], "name": "HYPOCRELLIN A", "xref": ["InChIKey:BQJKVFXDDMQLBE-RNAHPLFWSA-N", "SMILES:COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)[C@@H](C(C)=O)[C@@](C)(O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4869623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANSZAOQCMTTPB-QCDSWUKFSA-N", "SMILES:COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c6c(c(c1C[C@](C)(O)[C@H]6C(C)=O)c23)c54"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4861894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXUHHGNHOZMQK-UHFFFAOYSA-N", "SMILES:COC1=C(CC(C)=O)C(=O)c2c(c(O)cc(OC)c2-c2c(OC)cc(O)c3c2C(=O)C(CC(C)=O)=C(OC)C3=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCGOCPNOZKBLM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEHZLLUTPCJFHO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccc(F)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNDLVWKAIWUTN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccc([N+](=O)[O-])cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVXQHSRGCUOBMQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3cccc(F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXNJEQKOBFUDA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3cccc(C(F)(F)F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPGQZBDFAGSBM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3cccc(Br)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBCLFAPVDGBBB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3cccc(C#N)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONKQJQYSQIOVNL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3cccc(C)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZOKUPYRTZAFN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccccc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZKODBJBNDHOIX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccccc3C(F)(F)F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPIVGUGVRXXQT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccccc3Br)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBIAGQMXSDHGV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccccc3C#N)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXNLETSGRFDIFL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccc(F)cc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXJXDXUPAQKFX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3cc(F)cc(F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYLZPNOEOZFLY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccc(F)c(F)c3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTZFJGFTUZTSAK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3cc(F)cc(F)c3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCRRTXHUITUKR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3cc(F)c(F)cc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMHYJEKSCFNACA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(CCc3cccc(F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMQNYQSOKQPOBX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(CCc3ccc(F)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHEFVYIDMLBRRG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC1CC1)C(=O)C(CC1(F)CCN(Cc3cccc(F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSIAHBVDWQFFZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC1CC1)C(=O)C(CC1(F)CCN(Cc3ccc(F)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPKWRDXYMQOPQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC1CC1)C(=O)C(CC1(F)CCN(Cc3ccc(F)cc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGVPLIYJWZSYFI-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(cc1OC)CC(CC1(F)CCN(Cc3ccccc3F)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZVRBQIFQKHCHE-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(cc1OC)CC(CC1(F)CCN(Cc3ccc(F)cc3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWHUUFMRHYYQI-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(cc1OCCC)C(=O)C(CC1(F)CCN(Cc3ccccc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPXQMHATARCGB-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(cc1OCCC)C(=O)C(CC1(F)CCN(Cc3cccc(F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFFWGNGHRAYSU-UHFFFAOYSA-N", "SMILES:CCCCOc1cc2c(cc1OCCCC)C(=O)C(CC1(F)CCN(Cc3ccccc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKSXDMGQAASBR-UHFFFAOYSA-N", "SMILES:CCCCOc1cc2c(cc1OCCCC)C(=O)C(CC1(F)CCN(Cc3cccc(F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKFYKUYHHMNLFX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(CC1(F)CCN(Cc3ccccc3F)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVLCPPMMAJKFK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(CC1(F)CCN(Cc3cccc(F)c3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMONVFIUGORCAC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)C(CC1(F)CCN(Cc3ccccc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZXTJYHHBDNFG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)C(CC1(F)CCN(Cc3ccc(F)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYPHJXRHGRODI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1F)C(=O)C(CC1(F)CCN(Cc3ccccc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRLGEVKKHSDMB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1F)C(=O)C(CC1(F)CCN(Cc3cccc(F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVMYQHYYUXPOJH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1F)C(=O)C(CC1(F)CCN(Cc3ccc(F)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDJQIGTOXGHIX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1F)CC(CC1(F)CCN(Cc3ccccc3F)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICOXZDIZNXYIBK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1F)CC(CC1(F)CCN(Cc3cccc(F)c3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFDALGZRSMRDON-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1F)CC(CC1(F)CCN(Cc3ccc(F)cc3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSHQOSCZRGKHID-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWNKKUZUPFGSH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccc(OC(F)(F)F)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIVJHDUTQVLOKY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(Cc3ccc(C(C)(C)C)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZHYTGRNLGLFT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1(F)CCN(CCc3ccccc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4596899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYMIJTXUGXDLR-IKYRTNQJSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4596065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRXSDVYMJTKAU-CONSDPRKSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4597498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRYVCKEQWCHSC-UEQQSRGXSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SADFFAQSWHTWLL-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEMOFKMOGPXQF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMGBTFIGXPHPND-UHFFFAOYSA-N", "SMILES:NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLEBHKBPXJIRBW-UHFFFAOYSA-N", "SMILES:NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBIQDVSPOJGRB-UHFFFAOYSA-N", "SMILES:NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSWAMTSDRBJUFI-UHFFFAOYSA-N", "SMILES:NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVPBWCQTSHHMQU-UHFFFAOYSA-N", "SMILES:NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKAUODHATQOXIL-UHFFFAOYSA-N", "SMILES:NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCULREPIIZZTKC-OPHLYHHLSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMVDDUJQUNRADT-GIHRPWDCSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZXCVWRAIWGWFO-MUDPAQQWSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWNKHWCBIBPPS-WVADTLRHSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWDJSVHMPNRRJ-JQEZFIGASA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMXBMAPPRIYDH-BPTUYQQTSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMXBMAPPRIYDH-LQHAUIMGSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIENFCFFXQRCAI-JSPCEGANSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKIZDFSANWPQZ-BPTUYQQTSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLJQOLGEHRHPMG-YKXHUFBBSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLJQOLGEHRHPMG-JSPCEGANSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTECJQOZTQHYKR-UBJXRDOQSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTECJQOZTQHYKR-AHMTVAMISA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLQXVHKUPCVBIH-YFUOVJHYSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZUHIYWCNBHPU-CPEAVJPRSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHQWFSABIISRQZ-LACJQBQISA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJXMZZBRBMPIDI-KEYWGVPBSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUQOTECUSULCDW-BMCJDKOGSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTCVTCCDSUVDDT-XHSFFIIJSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPDHZVRHMRFQH-OUOHYALTSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWNBWPUVRNMVOT-IRXHXNBUSA-N", "SMILES:CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(=N)N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDAHYOSPKCQEJ-BQPUMDETSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANCBJGEACYPQV-UBJXRDOQSA-N", "SMILES:N=C(N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYXFYWCCDXVIA-YFUOVJHYSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHNRASLJVKVAU-WBVZDLBWSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHDLNPSKQHHNE-OUOHYALTSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHDLNPSKQHHNE-YCTSGUJVSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRPSLWLCCSUXRU-PFJBEOSVSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNBPGJCOZOPTQ-JKGMKDQCSA-N", "SMILES:CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHDLNPSKQHHNE-URNDRGBWSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXYAIIHLIUNLC-CGUOMVHUSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWUFLRUKCINCJX-IHUJYYAPSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUZQMRRXRBMKDI-OWXRPFKXSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLLMJYKJXHXIA-XNWXRBIGSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNMTJSTNGIVGO-CGUOMVHUSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNMTJSTNGIVGO-BWFPXXJBSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEDPLVNWJHQACU-DMWVGKOKSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLVUOTLGLQRVLG-NJYVXCEBSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCKMPDMAVLDAH-XAJDFITESA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRILCAPJREQOW-ROVXKKNJSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRILCAPJREQOW-GOQGXRDTSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQCZOBZKBAZEJU-OUOHYALTSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDRPMSXUAAFLL-XAJDFITESA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYIIOHLKCQPKB-PFJBEOSVSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAANBNBBMKHHCK-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REHFVGNJFOIKJD-OLOLHFQQSA-N", "SMILES:N=C(N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZRFNJPYRIBTTC-YBRRKNFDSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDRCFYNAWYSAS-KJODFAIPSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJWREBHCLXDRR-WBMNSFSHSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBDCWRDVRHCAFM-MQBHJHSHSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPZBPNFCIMCGA-SIDQARSZSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPRUFSOEDUIPNK-DCZAANBCSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQFICBZVZQIWHF-IIXVWDPGSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPADUVGRBRSEA-DPGNPUJRSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNUADDOCGTDHD-SIDQARSZSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJQAWUAAMNTIT-DCZAANBCSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOYLSLPDWIFBSQ-WLYMSNLHSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEXJVNPPCASDJ-PHRONXMNSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFPTTBQYABSSY-SMRBFFJJSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFPTTBQYABSSY-OKACJEQYSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNITWKSBQOFJP-SIDQARSZSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZKXWRKJZMUOH-IRXHXNBUSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXVZLQXPJDGSZ-QCEVHHGWSA-N", "SMILES:CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCKMPDMAVLDAH-ADCLIZGCSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYVUURURSXESJ-BWFNINCJSA-N", "SMILES:CCCN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJCPMUQJCGTSV-AXEKQOJOSA-N", "SMILES:CCCN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXZJZTUWHZBXFL-NJHZPMQHSA-N", "SMILES:CCCN[C@@H](CCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMCWIAJWFVKMM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)CCCN2CCN(c3ccccn3)CC2)cc1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZXADGECOXBKU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLZGZBACZPXMR-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)CCCN2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGTMRNBGCGSJFJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOBFMIIGQBMFP-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(CCCCN3CCN(c4ccccn4)CC3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBSPIYLVJWAETB-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLEPKPGFWMXHHA-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2cc(OCCCN3CCCN(c4ccccn4)CC3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFGNESHNMETMU-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUOVJGSFCGUFDC-UHFFFAOYSA-N", "SMILES:OC1c2ccc(F)cc2CC1CCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVROSOVHMGPEMN-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)CC(CCN1CCN(c3ccccn3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BODKZKXTTLFUIE-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Cl)ccc2CC1CCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKODMLACMGNJDC-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Cl)c(Cl)cc2CC1CCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSDVKUMLQLWSX-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(Cl)cc2CC1CCCCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKXPLUFJRRUGNE-UHFFFAOYSA-N", "SMILES:CC1(CCCN2CCN(c3ccccn3)CC2)Cc2cc(Cl)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLSYCFYLABDNF-UHFFFAOYSA-N", "SMILES:CC1(CCCCN2CCN(c3ccccn3)CC2)Cc2cc(Cl)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFCAJYXEMNIWPF-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(C(=O)CCCN3CCN(c4ccccn4)CC3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKLWDLIUAFTPCZ-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEDZOJZPJMLGQC-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(F)cc2CC1CCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWDESFBOGLASL-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(Cl)cc2CC1CCCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAVSIHCMQXGAIV-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(Cl)cc2CC1CCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1237021", "category": ["biolink:ChemicalEntity"], "name": "LURASIDONE", "xref": ["InChIKey:PQXKDMSYBGKCJA-CVTJIBDQSA-N", "SMILES:O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1"], "synonym": ["Lurasidone", "Lurasidone", "Lurasidone", "Lurasidona", "Lurasidone", "Lurasidone", "SM-13496 FREE BASE"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4875559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVNAHOBOGRPJY-UHFFFAOYSA-N", "SMILES:O=C(NN1C(=O)CSC1c1c[nH]c2ccccc12)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALEALKZBRLEOJZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKLKDBGZYFYHB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWORZSMRYNSMCN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(O)cc4)c(=O)n(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL136244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGUIEYMNFRMLPV-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL136106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUAUTGRQMYJPFC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFHPWKDAJCJHE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CCO)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUEJFDOJIBRVBJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CCOC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZMLARYZJWIGD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccccc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBDMDASOVBUGSC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC(C)C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXZQWTRSWYLAFO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4cccc(S(C)(=O)=O)c4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTWDQFJHOKLOHG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHIRKOYLRMQNAF-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHAKFYAPGFFRH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISXPUJRNVVHRT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2ccc(O)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLCFEJAMCRLYRG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LATMRUSMLRSPOU-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXFRLBOLLMEJTK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(C(C)(C)C)cc4)c(=O)n(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXINECZBKGCLEK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(OC)cc4)c(=O)n(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNJSERLEIJDSJV-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccc(S(C)(=O)=O)cc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXAMNAQPOFORK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWKOGJYABSALSF-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLDFZDYTZKHEN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJDFQVQZUNCBGA-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2cccc(Cl)c2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLPTXOZGBDIDY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2ccc(F)cc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBTAGVYSJMZSQE-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2cc(Cl)ccc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLZCXJVYHKTKX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc3n(C)c2=O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFQUQGCWGESDG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc3n(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCKONHUBGQVAK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ncnc3[nH]ccc23)cc1)c1cn(-c2ccc(C(F)(F)F)cc2Cl)c2ncccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUWYBNVINIPLRH-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTIEELEPXKKMG-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2cc1OCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWOGXREMCUZPF-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCC(=O)Nc4ccc(S(N)(=O)=O)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOBDTJAZIVUSK-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZHYSJCJCDBSD-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cc1OCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNVEAOMNOLWIJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZXXXQKZTOTKNJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(C(F)(F)F)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWBQDMKIRQBFT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc3ncnc(Nc4cccc(C(F)(F)F)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNQLBXMJDELBC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUAOBWZTWRHXMJ-RDJZCZTQSA-N", "SMILES:O=C(Cc1ccc(Nc2ncnc3ccsc23)cc1)N[C@H]1CCCC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUAOBWZTWRHXMJ-WBVHZDCISA-N", "SMILES:O=C(Cc1ccc(Nc2ncnc3ccsc23)cc1)N[C@@H]1CCCC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLBYQFQSNKYYOI-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Nc2ncnc3ccsc23)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKNIIOZTXRWCR-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4ccsc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWLCTCOVPBWNA-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(Nc2ncnc3ccsc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVOZMWDKKNZOEL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4ccsc34)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDLMNEGBWRBSNT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5cccc(C(F)(F)F)c5)cc4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIJHOOPTDHFJAP-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4cc(-c5cnn(C)c5)sc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFAOOHPDKFUMTF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)nn5C)cc4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGCBRZFJNGPBD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5nc(C(C)(C)C)cs5)cc4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZKCNSIJNULWBA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)nn5CCN5CCOCC5)cc4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHGHKRKUVNBHD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5ccc6c(c5)OCCO6)cc4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPIBIRNZZWUXGT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5ccc(C(C)(C)C)cc5)cc4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTWGUIWTWSBQU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5ccc(F)c(Cl)c5)cc4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJJQZDHRIUADEO-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)NCc5cccc(F)c5)cc4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOUORINQYVXSG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5cccnc5)cc4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGFNCBSHLABFS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3ncnc(Nc4ccc(NC(=O)Nc5cc(C(C)(C)C)nn5C)cc4)c3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCJWQFPFRRHHIO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5ccc(F)c(Cl)c5)cc4)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYNZWMSHVLBQBX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Nc2ncnc3cc(-c4ccc(OCCN5CCCC5)cc4)sc23)cc1)Nc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OREKZCCNTFVURN-LHSJRXKWSA-N", "SMILES:C[C@H]1CCCN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTJAMCBMVWMRT-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTJAMCBMVWMRT-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBQGNNACTXBPY-AWEZNQCLSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBQGNNACTXBPY-CQSZACIVSA-N", "SMILES:COc1ccc([C@@H](C)NC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUJOGLOBWNDJV-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUJOGLOBWNDJV-CYBMUJFWSA-N", "SMILES:C[C@@H](NC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOCCVASUMHLFX-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZZQKRPOBCXDR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(CNC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAUSWAWMBJPGFP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3ncc(C(=O)NCc4ccc(Cl)cc4)n3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBSNOAQGWESIE-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDQZMSKPUQRFF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3ncc(C(=O)NCc4ccccc4)n3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DECLBAUJKFEKOF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMUVOODQSHCQI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPGDBKELHCPIP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cnc3ccc(-c4ccncc4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKBVEGQIGFXHG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ocnc5c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYFHKFUAWLHMY-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWDLHHZOVVUFGK-KRWDZBQOSA-N", "SMILES:C[C@H](NC(=O)c1cnc2ccc(-c3ccc4ncccc4c3)cn12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWDLHHZOVVUFGK-QGZVFWFLSA-N", "SMILES:C[C@@H](NC(=O)c1cnc2ccc(-c3ccc4ncccc4c3)cn12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWARRSITHQNDEU-KRWDZBQOSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWARRSITHQNDEU-QGZVFWFLSA-N", "SMILES:COc1ccc([C@@H](C)NC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCMBXBCXYDEPK-UHFFFAOYSA-N", "SMILES:COc1ccc(NNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFKNULTXBPIIAY-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXBIBNFTLMSLV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOLOZYZEROYPOL-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDOSPJQDNIROW-UHFFFAOYSA-N", "SMILES:CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFDDURXSFRTWSC-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(F)cccc2n1Cc1ccc(-c2ccccc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKVAYRPPGBAJI-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(Cl)cccc2n1Cc1ccc(-c2ccccc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZRRREFHSVKAEV-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(Br)cccc2n1Cc1ccc(-c2ccccc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWHQBHIXVCQMDS-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(OC)cccc2n1Cc1ccc(-c2ccccc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZFOWICHXMGBDI-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(N)cccc2n1Cc1ccc(-c2ccccc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGFMHFBQRAWQV-UHFFFAOYSA-N", "SMILES:CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWNSHAUFXXEHX-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(F)cccc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVJWLDGLGBZHR-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(Cl)cccc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRRJREOZXWGQQP-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(Br)cccc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOLHQAJUNMJGI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3cncnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCWLARVYMOBOGB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccncc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZJLSMCOKDFAP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)c3ccc(C)cc3)cc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZRBTPSAZKANRY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3cccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUIYOLOCBBVEGW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUONAGKQXKYMFB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3cnc(N)nc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYNAVYKNQNLBB-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(NC(=O)c3ccc(C)cc3)cc(C(=O)O)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQCGAHJTABBJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccsc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHZCYGZXLCKWOH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3cccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQAGECQGGZSOKA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C)s3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRRBVTUCNWCRI-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C)cc3)cc(C(=O)O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXGJSDVLNHTLPE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccco3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQDAJATCZFSSP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccoc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZMDUKJRYSYNN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3c(C)noc3C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJARROVZXSIFBB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc[nH]3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTUKRKUQKPIDJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3cc[nH]n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVZGOFSSNTPEM-QGOAFFKASA-N", "SMILES:CCN(CCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZLBNISCSSNJN-XMHGGMMESA-N", "SMILES:CCN(CCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXDNZESCVUXGPQ-LTGZKZEYSA-N", "SMILES:CCN(CCCCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKEMFYQLDGEPPC-XMHGGMMESA-N", "SMILES:CCN(CCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHFIKDLBPJBPCZ-HMMYKYKNSA-N", "SMILES:CCN(CCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPJQDHSMMSRFM-OQKWZONESA-N", "SMILES:CCN(CCCCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAMMZGBBGJIKS-XDHOZWIPSA-N", "SMILES:CCN(CCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZVAVVDVVOCNTD-DEDYPNTBSA-N", "SMILES:CCN(CCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGZRXBHDUAVMK-PXLXIMEGSA-N", "SMILES:CCN(CCCCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUOGNSDGFZULK-QGOAFFKASA-N", "SMILES:CCN(CCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGZKSWSWBHYTL-XMHGGMMESA-N", "SMILES:CCN(CCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWOHARJCMKFVBW-LTGZKZEYSA-N", "SMILES:CCN(CCCCCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPKQDXUVHBOUIK-XNTDXEJSSA-N", "SMILES:CCN(CC)CCCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBRDBKBPQPOZNC-OBGWFSINSA-N", "SMILES:CCN(CCCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPUAGXHNJOWSK-XMHGGMMESA-N", "SMILES:CCN(CCCCOc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2O)cc1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISBBVWCEVSGIHB-HMMYKYKNSA-N", "SMILES:CCN(CCCCOc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2O)cc1)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFCDSZVRDJZDRF-IZZDOVSWSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCGFFTVCVDBNN-KPKJPENVSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBUWHDBRBEYOF-IZZDOVSWSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORZIMFTAITHNA-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2ccccc2S(N)(=O)=O)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKXIZXSAZGEJTK-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXISDRIYFAETA-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2cccc(S(N)(=O)=O)c2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSAMAWQOSGDLA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2oc3ccccc3c2C)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBOVFKMDCNAIIJ-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEJYLYJHLPJHW-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUMTXAWBOUWTDI-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)Oc2ccc(S(N)(=O)=O)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQMUEWFCLRKSRP-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWPZLABVLATEQN-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHDPKDJHUFNFIA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccccc1NC(=O)Nc1cc2cc(Br)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYIWYCJUQCZNRE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COADOKSJADUYBL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)Nc2cc3cc(Br)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWPQGFGNQCDCR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGIGYIOQXLVQN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDDLLPFULFNQI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2cc3cc(Br)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGYEMQZLXSUEH-UHFFFAOYSA-N", "SMILES:Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3oc4ccccc4c3C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCCTVBYRYQRBBC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cc2cc(Br)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLOZFYFFDHJLDB-UHFFFAOYSA-N", "SMILES:Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3cc4cc(Br)ccc4o3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJYBAMCGWKFXIX-SZXQPVLSSA-N", "SMILES:Cc1ccc(S(=O)(=O)C/C(=N\\Nc2ccc(S(N)(=O)=O)cc2)c2cc3cc(Br)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACTRUHNOYAOCDJ-VXLYETTFSA-N", "SMILES:C/C(=N\\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUBBKFWMXILQNG-KKHAWTMVSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](c2cccc3ccccc23)NC(=O)N[C@H]2CSSC[C@H](NC(=O)C[C@@H](c3cccc4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAAXYWPJHOANQE-WEHDIPTCSA-N", "SMILES:CCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](C)NC(=O)c1ccc(CCCCCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCIKAFDNCSHOJG-QGISLHRISA-N", "SMILES:CCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](C)NC(=O)c1ccc(OCCCOCOC)cc1"]}
{"name": "Alkaline ceramidase 3", "xref": ["CHEMBL.TARGET:CHEMBL4879509"], "id": "UniProtKB:Q9D099", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZNPGWGKTNYCBM-DAEFIGJFSA-N", "SMILES:CCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](C)NC(=O)c1ccc(OCCCCOCOC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKSNRODYMSAJFS-LAHJTLFJSA-N", "SMILES:CCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](C)NC(=O)CCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIADELGCYXNHNP-VYQUXUJXSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)NCCCCCC"]}
{"name": "Neutral ceramidase", "xref": ["CHEMBL.TARGET:CHEMBL2146344"], "id": "UniProtKB:Q9JHE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Glucose-6-phosphate 1-dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL5347"], "id": "UniProtKB:P11413", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1520590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGIWEZSKCNYSW-UHFFFAOYSA-N", "SMILES:O.O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQONGHAIYGHFF-LBAQZLPGSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQWTIZEFJDBDQ-ANYOKISRSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPWYXKQBBLGFS-GGYWPGCISA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXNOZMLOEMWAJB-LBAQZLPGSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOWYBZWSVGUTBH-ANYOKISRSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNEYJCZWYKQKDL-GGYWPGCISA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQONGHAIYGHFF-RTWAWAEBSA-N", "SMILES:CCC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQONGHAIYGHFF-SFTDATJTSA-N", "SMILES:CCC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEYYAMDEXCEHCT-BPARTEKVSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDLNHZCBARMOQT-QWAKEFERSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNSKHOBWYYGACP-QWAKEFERSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccc(OC)cc4)sc3c2)c(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEAAYPAXOKOWCS-QWAKEFERSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4cccc(OC)c4)sc3c2)c(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUSCMTXILNBEBN-IJHRGXPZSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccc(O)cc4)sc3c2)c(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEDSIYBBABVSMR-IJHRGXPZSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4cccc(O)c4)sc3c2)c(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMBLDNMCCXVNJH-IJHRGXPZSA-N", "SMILES:CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4O)sc3c2)c(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZIBSCPGQPTMG-FQEVSTJZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)CSc2nc3ccc(NC(=O)c4ccc(OCC(C)C)c(C)c4OC)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQCPYZRDGXROW-IBGZPJMESA-N", "SMILES:COc1ccc([C@H](C)NC(=O)CSc2nc3ccc(NC(=O)c4ccc(OC(C)C)c(C)c4OC)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJITUORNUSNUJC-KRWDZBQOSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)CSc2nc3ccc(NC(=O)c4ccc(OC)c(C)c4OC)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEAHBPHPHKWELY-IBGZPJMESA-N", "SMILES:COCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccc(OC)cc4)sc3c2)c(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQHLGSLPBSZCHY-QFIPXVFZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)CSc2nc3ccc(NC(=O)c4ccc(OCCN5CCCC5)c(C)c4OC)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDQFLNHNHUCDMY-FQEVSTJZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)CSc2nc3ccc(NC(=O)c4ccc(OCCN(C)C)c(C)c4OC)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFBXCAMUASLBS-QFIPXVFZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)CSc2nc3ccc(NC(=O)c4ccc(OCCN5CCOCC5)c(C)c4OC)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXBODPLSYAHBAQ-KRWDZBQOSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)CNc2nc3ccc(NC(=O)c4ccc(OC)c(C)c4OC)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWTROQZQJCJGDZ-KRWDZBQOSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)COc2nc3ccc(NC(=O)c4ccc(OC)c(C)c4OC)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNSCSUKMXORLW-UHFFFAOYSA-N", "SMILES:CC(=O)C1=CC2C(=O)c3ccccc3C(=O)C2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AECDBHGVIIRMOI-GRGXKFILSA-N", "SMILES:Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTWNMLWEOQNBA-VPLGREJPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPLBFVDQUJYBT-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5cccnn45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPWKNJNJRDXPK-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4n[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQIDHADCFFSNOG-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4n[nH]c5ncccc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXDZPSOJHWTWEC-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4c[nH]cn4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBUWQLBIADUBO-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NCc4cnc5cccnn45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDGYFACSVLNHX-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NCc4cnc5ccc(OC)nn45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZMWPLDBUVFLW-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnc5cccnn45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHIYIKWBVFNUEU-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnnc5ccccc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSSDRHZLTASVQY-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJXSNMQHEUMWBC-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnn5ccccc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXGSHNAFMXJDTK-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnc5ncccn45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMHYJSDPAPVBS-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4ccn(C)n4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBKCETYEZUEFN-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4ncc[nH]4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLYRSBPONAUNAI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1NC(=O)c1cnc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMFIVJOCIHNBK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1NC(=O)c1cnn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPRZAUFQZXRQPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2ccc(C(F)(F)F)nc2)cc1NC(=O)c1cnc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPKUMBUEAZUGMT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2ccc(C(F)(F)F)nc2)cc1NC(=O)c1cnn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSLSJJRZUQHHSH-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5cccnn45)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZBMFGQQWPHMJ-WMLDXEAASA-N", "SMILES:CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@H]4O)sc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUVNIDFZPZCEP-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cc[nH]n4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUUSFMZVFVTFH-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMGVBWDCIXCGJJ-UHFFFAOYSA-N", "SMILES:CN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWINCTXRNCCKY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)N=C(C1=CCN(C)CC1)c1cc(F)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDYFHPTUHQESK-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)N=C(C1=CCN(C)CC1)c1cc(C)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWMPNKVRIUOVNY-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)C(C1=CCN(C)CC1)=Nc1cc(C)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWKGBNMMQPPNN-UHFFFAOYSA-N", "SMILES:CCN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHZQESABMHIGES-UHFFFAOYSA-N", "SMILES:CC(C)N1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNQWZRSCBVNFCG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(C1=CCN(C)CC1)=Nc1cc(C)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGOJMMVYYXWMQ-UHFFFAOYSA-N", "SMILES:CN1CC=C(C2=Nc3cc(F)ccc3Nc3ccc(Cl)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCOQPDINSDQFU-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)C(C1=CCNCC1)=Nc1cc(Cl)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZTNTJJXYHMEGN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)N=C(C1=CCNCC1)c1cc(F)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQZVZULJKVALRI-UHFFFAOYSA-N", "SMILES:C[S+]([O-])CCCCCCN=C=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2171452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXAIORZGBCHIB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1OCCCCOc1ccc(-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONSOTYJHQIJQV-JLHYYAGUSA-N", "SMILES:COc1ccc(/C=C(\\CC(=O)O)c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INZMANTZZFBIJO-UKTHLTGXSA-N", "SMILES:COc1cccc(/C=C(\\CC(=O)O)c2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZMAWAFRVUUPQG-JLHYYAGUSA-N", "SMILES:COc1ccccc1/C=C(\\CC(=O)O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXVAAVBZMDXCB-FMIVXFBMSA-N", "SMILES:O=C(O)C/C(=C\\c1ccc(O)cc1)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQVLDZELZRNHN-UKTHLTGXSA-N", "SMILES:O=C(O)COc1ccc(/C=C(\\CC(=O)O)c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPQDKFMNIOTIO-GXDHUFHOSA-N", "SMILES:COC(=O)c1ccc(/C=C(\\CC(=O)O)c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIRLPRHYONYCHM-GXDHUFHOSA-N", "SMILES:Cc1ccc(/C=C(\\CC(=O)O)c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWBLAUNNBJHJNI-NTEUORMPSA-N", "SMILES:O=C(O)C/C(=C\\c1ccc(CC(=O)O)cc1)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHDOPHMVNVCJY-XNTDXEJSSA-N", "SMILES:COC(=O)Cc1ccc(/C=C(\\CC(=O)O)c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJNEWAQDYGAJP-SFQUDFHCSA-N", "SMILES:O=C(O)C/C(=C\\c1ccc2ccccc2c1)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1303934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTVRDZAFREXAH-KPKJPENVSA-N", "SMILES:O=C(O)C/C(=C\\c1ccc2c(c1)OCO2)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJRKJGJMDFPJZ-VZUCSPMQSA-N", "SMILES:O=C(O)C/C(=C\\c1cc(Br)c2c(c1)OCO2)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFCBSSGENYXJLL-WYMLVPIESA-N", "SMILES:COc1ccc(/C=C(\\CCO)c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1311008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDQVGRKPJRDGJ-JLHYYAGUSA-N", "SMILES:COc1ccc(/C=C(\\CC(=O)O)c2nc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCBUWGCMZZCINH-FMIVXFBMSA-N", "SMILES:O=C(O)C/C(=C\\c1ccc(Br)cc1)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLYJZRWIKEQPA-FMIVXFBMSA-N", "SMILES:O=C(O)C/C(=C\\c1ccc(Br)cc1)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQVFOKXWXIXJSC-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(CC(=O)O)c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVGICCCRMJDNU-XMHGGMMESA-N", "SMILES:CCOc1cc(/C=C(\\CC(=O)O)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCYYSSHKAGBGU-NTEUORMPSA-N", "SMILES:Cc1nn(C2CCS(=O)(=O)C2)c(C)c1/C=C(\\CC(=O)O)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIFSPGPRHFNZNN-GOTSBHOMSA-N", "SMILES:N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)OC1CCCC1)C(=O)OC1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4873889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQIKSCZFMCUDMA-UHFFFAOYSA-N", "SMILES:Fc1ccc([Se]C(Cn2ccnc2)c2ccc(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVMZCRICWNQQKP-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccccc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2cc(Cl)ccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMWKPNDZZKXTGS-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccccc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFAZKDQUMWYVLJ-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccccc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccc(F)cc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHJYDVYLKFERL-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccccc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccc(Cl)cc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPBFVDYNYQVIL-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccccc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccc(Br)cc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGHXNHYXTSTKDI-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccccc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2cc(Br)ccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZCVOJLTFWRDL-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccccc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccc([N+](=O)[O-])cc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXWERFXQNWIFZ-IMLKGASGSA-N", "SMILES:Cc1ccc2c(c1)[C@]1(N[C@@H](C(F)(F)F)[C@H](c3ccccc3)[C@H]1c1onc(C)c1[N+](=O)[O-])C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUDXLVMBBJQOCI-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3cccc(F)c3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRZAXNTXICKMR-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccc(F)cc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBSKTMWEMUCQF-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccc(Cl)cc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAVHQYBPJSDLSH-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3cccc(Br)c3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHIVKUEIRHHSB-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNZNUPKCTBFXRW-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDXGAAAXFILOG-IMLKGASGSA-N", "SMILES:Cc1ccc([C@H]2[C@H](C(F)(F)F)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2onc(C)c2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJSKOHSMPHPHW-OMXLDXBASA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccc(C(C)C)cc3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWEOPLYYVPOQMD-NNNWTRQLSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccc(Cl)c(Cl)c3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEUNSAPUFPALOX-NNTZPNAXSA-N", "SMILES:COc1ccc([C@H]2[C@H](C(F)(F)F)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2onc(C)c2[N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPYBPYCVEKZGPQ-QOIYZWAUSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccco3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMNQENWIRCFNKC-QOIYZWAUSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3cccs3)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZZSLZGLNZEPC-KAQDMCDHSA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3cccc4ccccc34)[C@H](C(F)(F)F)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHTSWHGYTYDEJJ-GRSOWLQASA-N", "SMILES:Cc1noc([C@@H]2[C@@H](c3ccccc3)[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUHCSBCVGXTJM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIUJGSKPUBFLT-DPZBCOQUSA-N", "SMILES:CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFCNZIGJGXOSA-DTXPUJKBSA-N", "SMILES:C#CCOc1ccc(C(=O)O[C@@H](CCCCCCCCCCC)C[C@@H]2OC(=O)[C@H]2CCCCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHOGGKCGYUJBD-KCHLEUMXSA-N", "SMILES:CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPDYLKULGGOLZ-QKDODKLFSA-N", "SMILES:CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARCJDRDJIZMRC-KCHLEUMXSA-N", "SMILES:CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPZRXYWTIMNQKH-NSVAZKTRSA-N", "SMILES:CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGUBJARZRFWRY-AWCRTANDSA-N", "SMILES:C#CCOc1c(OC)cc(C(=O)O[C@@H](CCCCCCCCCCC)C[C@@H]2OC(=O)[C@H]2CCCCCC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPFEAVHGXOJNA-QKDODKLFSA-N", "SMILES:CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3352974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTAZAIAWNTXFO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVTVNHCYRAIOSL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKQMSSUMVWQLMZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccccc3OC)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXIDNYWFVVJCA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNNSCQKCFRLKPW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQWOBUQEPKZRKQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3cc(OC)c(OC)c(OC)c3)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQEYGUWPLKWCSF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3cccc(OC)c3OC)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQMCNVWBTQHREV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJHGIVVSBBHCN-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBJAJPPDJXYGDA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRJNBORNVHXMK-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXIEAVHDKUOKV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(OC(C)C)cc3)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTAKSUYNZFCPJ-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UROSZWRSYQUNNB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(OCC(C)C)cc3)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKFJAWRWKXRLL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(OC(C)(C)C)cc3)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCQIPWHHPOQBCP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(OC(F)(F)F)cc3)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQQAPFUHHORQPP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(Oc4ccccc4)cc3)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFJROLGBKYJNPU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc4c(c3)OCO4)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVNGMNLMROTIHK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(SC(C)C)cc3)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGDMMVIAARSUKG-UHFFFAOYSA-N", "SMILES:O=S1(=O)CC2(OCCO2)c2cc3nccc(Nc4ccc5scnc5c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKZOWZZOQPWIFO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCDBTQNFAPKACC-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGOJFKKLWHNNFG-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARUZPFHLRLCHE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cc(C(=O)N3CCN(Cc4cc5nc(-c6cnc(N)nc6)nc(N6CCOCC6)c5s4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPTYBPOYVNYQMT-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cc(C(=O)N3CCN(Cc4cc5nc(-c6cnc(N)nc6)nc(N6CCOCC6)c5o4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPAUCQOBGHPCQ-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAXCTJXSWDBQDO-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKOMCFVVGEADO-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc(F)c(N)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFQFZYAAJSFZQT-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIZKFOPJCXLAT-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPPZPHFJKKPEQR-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc(N)cc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUVLMYMBEWNHPA-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRIJQLQVZRHMRU-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc4cn[nH]c4c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDRKZXYEQNMFTG-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAJKENOPSPMRCK-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc4[nH]ccc4c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEAZPCVGCIRWDR-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMBBXGKYRZNGTQ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)c3sc(CN4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZRNQOKFRKCBG-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nc12"]}
{"name": "Beta-lactamase", "synonym": ["beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL1641358"], "id": "UniProtKB:Q93LQ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:573"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJEQOMQHKUCKBE-UHFFFAOYSA-N", "SMILES:OB1OC(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXLARMWTQLWFL-UHFFFAOYSA-N", "SMILES:OB1OC(c2cccs2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNMRFGAYMYPBE-UHFFFAOYSA-N", "SMILES:OB1OC(c2c[nH]c3ccc(F)cc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGWIPVZZFGHNIN-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2OB(O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDZYUBJLIWKDBR-UHFFFAOYSA-N", "SMILES:CNc1ccc(C2OB(O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUYRIGRSLGYJB-UHFFFAOYSA-N", "SMILES:OB1OC(c2ccc(N3CCCCC3)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNZCPAWEBAFJL-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2OB(O)c3cccc(F)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZKAIFIGYGULOA-UHFFFAOYSA-N", "SMILES:CNc1ccc(C2OB(O)c3cccc(F)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNXKBWPPCQJID-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2OB(O)c3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQFQQGRNDCWXHH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2OB(O)c3ccc(F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUNOYZLVNVLGY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(c1ccc(N(C)C)cc1)OB2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMZHMVXNMWFADQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2OB(O)c3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILPWDRPGOMZETE-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2OB(O)c3cc4c(cc32)OCO4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1689063", "category": ["biolink:ChemicalEntity"], "name": "AVIBACTAM", "xref": ["InChIKey:NDCUAPJVLWFHHB-UHNVWZDZSA-N", "SMILES:NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O"], "synonym": ["Avibactam", "Avibactam", "Avibactam", "Nxl-104 free acid", "Avibactam component of zavicefta", "Nxl-104", "Avibactam"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4857712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYXVXHOEFRKJPE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCc1ccccc1)C3c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCALTZNXRFHMRK-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCc1ccc(F)cc1)C3c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEMRHIELVRZJW-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(F)cc1)C3c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDNWDHHFNVBVRT-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCc1ccccc1)C3c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMWUQEOXBCPBMT-UCQKPKSFSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\\c3ccccc3)cc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUFULIKRPKOEFW-OYKKKHCWSA-N", "SMILES:Cc1ccc(/C=N\\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRLIZVSPUSMCDS-OYKKKHCWSA-N", "SMILES:COc1ccc(/C=N\\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWKGZPEBANNPS-CFRMEGHHSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\\c3ccc(F)cc3)cc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHJIFJNRYFABBN-CFRMEGHHSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\\c3ccc(Cl)cc3)cc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUOOOWRQADXNQU-CFRMEGHHSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\\c3ccc(Br)cc3)cc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRYCTFRTNFZFF-QRVIBDJDSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\\c3ccc([N+](=O)[O-])cc3)cc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEZSFLVAARAECO-WKIKZPBSSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\\c3ccc(C(F)(F)F)cc3)cc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCBGNELDHPINOP-QFEZKATASA-N", "SMILES:COc1cccc(/C=N\\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQFAZQGYAWAMFL-MYYYXRDXSA-N", "SMILES:CN(C)c1ccc(/C=N\\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSVOQDMZLWAFP-CFRMEGHHSA-N", "SMILES:COc1ccc(/C=N\\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAMBBTLODSRFIK-QRVIBDJDSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\\c3ccc(O)cc3)cc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCRDANSTSWHBQ-MTJSOVHGSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\\c3cccs3)cc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVKSAMDQIBTCC-MTJSOVHGSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\\c3ccco3)cc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLILWOCMNGGJM-QRVIBDJDSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\\c3ccncc3)cc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKSSXIHSTUHZMZ-QFEZKATASA-N", "SMILES:COc1ccc(/C=N\\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBXRORBSQZMQI-QFEZKATASA-N", "SMILES:COc1ccc(OC)c(/C=N\\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKYBPIVWZNNLH-WGARJPEWSA-N", "SMILES:COc1ccc(/C=N\\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLWWPVSZOCLDN-WGARJPEWSA-N", "SMILES:COc1cc(/C=N\\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKSGRYYSCWTBKQ-CFRMEGHHSA-N", "SMILES:COc1cc(/C=N\\NC(=O)c2cc(-c3cccs3)n(-c3ccc(S(N)(=O)=O)cc3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHRZSHPXDGLECD-VUTHCHCSSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nnc(C(=O)N/N=C(\\CC(=O)c3cccs3)C(F)(F)F)c2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDHMASFTOTPEE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)cc2-c2ccncc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWHOWGZBAYNHCR-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nn(-c3cccc(NC(=S)Nc4ccccc4)c3)cc2-c2ccncc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSXZLWQGVGLCR-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccccc1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSOGRVXFFHERIV-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)cc1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXBDCZIEHGTKCP-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXHOQRWYMRCARG-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccccc1)n1ccc2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIOVCAKDZWCKK-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)n1ccc2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXIFVJWZUOZKK-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)n2ccc3cc(Br)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYYUUWIBAFMSH-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc2ccccc2c1)n1ccc2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHFMBXSVQZLTHQ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccccc1)n1ccc2c(Cl)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPGFRUAOZYUGJ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc2ccccc2c1)n1ccc2c(Cl)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQUVTKNUNIROJD-UHFFFAOYSA-N", "SMILES:CN(C)c1ccnc2c1ccn2C(=O)NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPNECLDTAKYIT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)n2ccc3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDGTVYRTZHWPX-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc2ccccc2c1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMIDQOCBGUXNI-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)n2ccc3c(N(C)C)ccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZWPPREXKXETL-DSWMKVJSSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)Nc1ccccc1N)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIJGEFIZVXZNQ-RSGSQPCQSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)NCCCC(=O)Nc1cccc(N)c1)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRHBIHYPCMINM-SOFCZAGPSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)NCCCCC(=O)Nc1ccccc1N)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRCZQARAXUSNMP-OSIDZPPVSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)NCCCCCC(=O)Nc1ccccc1N)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFGJDTYOGDTBIL-MMEOGCCCSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)NO)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHZWODLWXOTTF-SPMBCSCNSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)NCCCC(=O)NO)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSJMYAWSDRXBNH-JTGKHUTCSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)NCCCCC(=O)NO)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFDQBALCHMQKAG-ZTJPGUIGSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)NCCCCCC(=O)NO)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCXAEIIBZFJFX-UAAHIHKDSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LABZKRZOAOVWJB-QFESTXCKSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)N/C=C/c1cccc(C(=O)Nc2ccccc2N)c1)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMXUBTCJGKNLOK-IOPNEODYSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)N/C=C/c1ccc(C(=O)Nc2ccccc2N)cc1)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEKRBKRIPFSOZ-IEYFGSCNSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)Nc1ccc(C(=O)NO)cc1)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYKJQAFOFNDNMU-ODGAALLWSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)N/C=C/c1cccc(C(=O)NO)c1)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTOZELSHRAUTHF-SQEBRIPFSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(C(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)N/C=C/c1ccc(C(=O)NO)cc1)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAJARPCKCNIRX-RTQJYEKJSA-N", "SMILES:C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)Nc1ccc(C(=O)NO)cc1)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULHXOGUJRMQDJ-KZCLGVCMSA-N", "SMILES:C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)N/C=C/c1ccc(C(=O)NO)cc1)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIHCJWRDPIDHTK-BQYQJAHWSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NCc1ccc(/C=C/C(=O)NO)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPIEFONMMNTCA-VMPITWQZSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NS(=O)(=O)c1ccc(/C=C/C(=O)NO)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRVIZARUCAIDJ-VOTSOKGWSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NS(=O)(=O)c1cccc(/C=C/C(=O)NO)c1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMNJEPTNOZUMD-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)CCCCCC(=O)NO)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWIKVVHAHBDBDR-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)CCCCCCC(=O)NO)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFQIAPNNAZFJSB-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)CCCCCCCC(=O)NO)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLGDOJXSHOVDCJ-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)CCCCCCCCC(=O)NO)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRZKHZWMPYXIF-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NCc1cccc(NC(=O)CCCCCCC(=O)NO)c1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSVOCQBROCUNL-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NCc1ccc(NC(=O)CCCCCCC(=O)NO)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYLVIRWYJWNIM-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NCc1ccc(NCc4ccc(C(=O)NO)cc4)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGUUWDMEHPPEGH-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NCc1ccc(C(=O)NO)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAOHACYLUBWJQ-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCC(N3CCN(CCCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJIJVUAQRLZRJ-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCC(N3CCN(C(=O)CNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNBCQHRLAFXAIQ-MRPLNSNDSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520220", "category": ["biolink:ChemicalEntity"], "name": "PYROPHEOPHORBIDE A", "xref": ["InChIKey:IEGUQQKIFBYXLG-CDIXLCFRSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)O)[C@@H]3C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1200712", "category": ["biolink:ChemicalEntity"], "name": "EVANS BLUE", "xref": ["InChIKey:ATNOAWAQFYGAOY-GPTZEZBUSA-J", "SMILES:Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]"], "synonym": ["Evans blue", "Evan's blue", "Direct blue 53 tetrasodium salt", "Dye evans blue", "Evans blue", "NSC-8680", "Evans blue"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4849030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFLVTEPQKMRGNU-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZBLPYPBQYDNI-QUCCMNQESA-N", "SMILES:CCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1cccc(F)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZKXTOJPCGPELH-UDVBZZPGSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1ccc(-c2cccc(OCc3ccc(C(=O)NCCCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)c2)cc1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENKZAPZMPGKBS-IUKTVIPNSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENKZAPZMPGKBS-IXQHYERASA-N", "SMILES:O=C(N[C@H](c1ccccc1)c1cccc(OCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSMAQQMDBOIHL-HEVKVOQNSA-N", "SMILES:O=C(NC(c1ccccc1)c1cccc(OCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENKZAPZMPGKBS-AFLWYUAHSA-N", "SMILES:O=C(NC(c1ccccc1)c1cccc(OCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXURQFXHOSDLEY-FWBANIIHSA-N", "SMILES:O=C(NC(c1ccccc1)c1cccc(OCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRQFTUAAVVMABW-MROBMTMESA-N", "SMILES:O=C(NC(c1ccccc1)c1cccc(OCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRPRVOSLJVWJOJ-KFAUHABRSA-N", "SMILES:O=C(NC(c1ccccc1)c1cccc(OCCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHBIQVWCRUUKSP-KFAUHABRSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccc(OCCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABZHDFXOVJTJLQ-QHYCFBANSA-N", "SMILES:CCN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)c1ccc(COc2cccc(-c3ccc([C@@H](NC(=O)O[C@H]4CN5CCC4CC5)c4ccccc4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCDOHBQTWBNVBY-HZAHEIRFSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1ccc(-c2cccc(OCc3ccc(C(=O)N(CCCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)Cc4ccccc4)cc3)c2)cc1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQVPJZBCVDTKY-UZGNFBRWSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANKQRNYRQICKA-DHUJRADRSA-N", "SMILES:COc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIWHTVYXWHHSP-IBGZPJMESA-N", "SMILES:O=C(NC(c1ccccc1)c1ccccc1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254832", "category": ["biolink:ChemicalEntity"], "name": "FENDILINE", "xref": ["InChIKey:NMKSAYKQLCHXDK-UHFFFAOYSA-N", "SMILES:CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1"], "synonym": ["Fendiline", "Fendiline", "Fendilina"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4858481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTOLCFTHSZFOG-AREMUKBSSA-N", "SMILES:COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBOIBOPGUDMFH-RUZDIDTESA-N", "SMILES:COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEANQBRCQTZZBO-HHHXNRCGSA-N", "SMILES:COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCCN2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJZYLSZAVAWACK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(-c2cc(=O)c3c(O)cc(OC)c(OC(C)C)c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMSGIVIWHVKFLQ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(-c2cc(=O)c3c(O)cc(OC)c(OC(C)C)c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOIQXJOUSYFPB-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(NS(=O)(=O)C4CC4)cc3)oc2c1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNPKRGGSHLRCSO-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(NC(=O)NC4CC4)cc3)oc2c1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWMWAJXNNZQIAS-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(NC(=O)N4CCNCC4)cc3)oc2c1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARAUWVOHHMOSAF-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(NC(=O)N4CC(C)NC(C)C4)cc3)oc2c1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTAMKTHPHYCWAE-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(NS(C)(=O)=O)cc3)oc2c1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNWSSAJZGDJNDX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2cc(=O)c3c(O)cc(OC)c(OC(C)C)c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBHJZKAQZTSDT-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(NC(=O)N4CCN(C)CC4)cc3)oc2c1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGNZGWOUBSESBG-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(NC(=O)N4CCCNCC4)cc3)oc2c1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSYAIUUHEJDDNF-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CC(C)NC(C)C4)cc3)oc2c1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHIKBBJLVSUFGF-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CC(C)NC(C)C4)cc3)oc2c1OCC(OC)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVIHJPPHCEMDJ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCNCC4)cc3)oc2c1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLMMJNORORYPO-UHFFFAOYSA-N", "SMILES:Sc1n[nH]c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHIAXYYNWVQCY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nnc(S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOUUROSHCZTVFN-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1nnc(S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1448063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWRKNBGNJZYLS-UHFFFAOYSA-N", "SMILES:Sc1n[nH]c(-c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1447470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVLYSRWJOIGDAY-UHFFFAOYSA-N", "SMILES:Sc1n[nH]c(-c2ccccc2Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZISKSHYDXJAKY-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nnc(S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1990098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCAJTTYNVNCKDV-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nnc(S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDFXJUKACZJTP-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1nnc(S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDCNXJRLZQRMZ-UHFFFAOYSA-N", "SMILES:Sc1nnc(-c2ccccc2-c2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1334768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALETZOQAGIEADS-UHFFFAOYSA-N", "SMILES:Sc1n[nH]c(-c2cccc(Br)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSJQTLOBDVQBO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(-c2nnc(S)[nH]2)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWVRVYIDJFBOI-UHFFFAOYSA-N", "SMILES:Sc1nnc(-c2ccc3c(c2)OCO3)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJKDQGPBAWNRY-UIOOFZCWSA-N", "SMILES:CCC(=O)N[C@@H](Cc1nc2ccc(C(C)C)cc2s1)C(=O)N[C@@H](CNC(=O)CCN1CCOCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKFUGORCXQUEIS-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXBXVJYZLZQBV-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(SSc3nnc(-c4ccccc4)[nH]3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEEFLJRFMVXPAX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nnc(SSc2nnc(-c3ccccc3C)[nH]2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZLBECIYVRNSLS-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1nnc(SSc2nnc(-c3ccccc3F)[nH]2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJMOQKTDMMHRR-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1nnc(SSc2nnc(-c3ccccc3Cl)[nH]2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSGXBWCWQZKFTG-UHFFFAOYSA-N", "SMILES:Brc1ccccc1-c1nnc(SSc2nnc(-c3ccccc3Br)[nH]2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZCWQHJQITDPJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nnc(SSc2nnc(-c3ccccc3OC)[nH]2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAZZGALXLSIPA-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nnc(SSc2nnc(-c3ccccc3O)[nH]2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXWRXZRJMKEHCS-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccccc2-c2nnc(SSc3nnc(-c4ccccc4-c4ccccc4)[nH]3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCFBGGUNGFMTMJ-UHFFFAOYSA-N", "SMILES:Brc1cccc(-c2nnc(SSc3nnc(-c4cccc(Br)c4)[nH]3)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQNMSOZDGNPKX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnc(SSc3nnc(-c4cccc(OC)c4)[nH]3)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKVJQYEHLQITH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(-c2nnc(SSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)[nH]3)[nH]2)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWIMVPADWPYPEK-UHFFFAOYSA-N", "SMILES:c1cc2c(cc1-c1nnc(SSc3nnc(-c4ccc5c(c4)OCO5)[nH]3)[nH]1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMJJTHARJZYBU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(SSc3nnc(-c4ccc(C)cc4)[nH]3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XECPKDVLOKQQQZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nnc(SSc3nnc(-c4ccc(Cl)cc4)[nH]3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHZOBVERGYFHU-UHFFFAOYSA-N", "SMILES:CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)c2ccc(F)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQUPLGNIHPIARA-UHFFFAOYSA-N", "SMILES:CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGKDTCSFLEUTI-UHFFFAOYSA-N", "SMILES:CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2ccncc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMUKIYPLKMANJ-UHFFFAOYSA-N", "SMILES:CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2ncccc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIEFQYLCHKYOIE-UHFFFAOYSA-N", "SMILES:CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2cccnc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOHPZDTZXLXEQE-UHFFFAOYSA-N", "SMILES:CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2cnccc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVDCTMTAOERIM-UHFFFAOYSA-N", "SMILES:CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2c(ccnc2F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSCSEXKGPIJCF-UHFFFAOYSA-N", "SMILES:CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2c(F)cncc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRDKERCXLYIAH-UHFFFAOYSA-N", "SMILES:CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2cncc(F)c2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVDCTMTAOERIM-QFIPXVFZSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cc2c(ccnc2F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGMZDHPJQTUAHL-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2cc(OCc3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1989223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBDLTJRCKGCKSK-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMNMUVXBOYSHJV-UHFFFAOYSA-N", "SMILES:O=C(Oc1cccc2c1C(=O)C=CC2=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377324", "category": ["biolink:ChemicalEntity"], "name": "GINKGETIN", "xref": ["InChIKey:AIFCFBUSLAEIBR-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL208908", "category": ["biolink:ChemicalEntity"], "name": "SCIADOPITISIN", "xref": ["InChIKey:YCXRBCHEOFVYEN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1699070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPBHHJDGGMEUGS-YWEYNIOJSA-N", "SMILES:O=C1NC(=S)S/C1=C\\c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBDTMDCKQYDRU-WTKPLQERSA-N", "SMILES:N#Cc1cc(/C=C2\\SC(=S)NC2=O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPFHDYHSTXCMBR-PLNGDYQASA-N", "SMILES:Cn1ccnc1/C=C1\\SC(=S)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQQBUVKWNWSCZ-YWEYNIOJSA-N", "SMILES:O=C1NC(=S)S/C1=C\\c1cc(Cl)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZABPYPGBBXMC-BAQGIRSFSA-N", "SMILES:O=C1NC(=S)S/C1=C\\c1c(F)cc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOZKDODMNCRIEP-YWEYNIOJSA-N", "SMILES:O=C1NC(=S)S/C1=C\\c1ccc(O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFUANNVMXKBPF-BOPADEEMSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4878281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSSMUVMDVOHBMO-QTJUMRCSSA-N", "SMILES:Cl.O=C(N[C@@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFLBUEPQDGJBAQ-QTJUMRCSSA-N", "SMILES:Cl.O=C(N[C@@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1c[nH]c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDOLDQQBLOPZLF-OTYZVKEYSA-N", "SMILES:Cl.O=C(N[C@@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1c[nH]c2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QICNIOAJLOMREN-IANQOIEHSA-N", "SMILES:Cl.O=C(N[C@@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1c[nH]c2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPAJQBIGVDXKAN-AIFSUBOASA-N", "SMILES:Cl.O=C(N[C@@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1c[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSSMUVMDVOHBMO-AXAAGYIXSA-N", "SMILES:Cl.O=C(N[C@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFLBUEPQDGJBAQ-AXAAGYIXSA-N", "SMILES:Cl.O=C(N[C@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1c[nH]c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDOLDQQBLOPZLF-MGVXHISASA-N", "SMILES:Cl.O=C(N[C@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1c[nH]c2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QICNIOAJLOMREN-RPKBSTESSA-N", "SMILES:Cl.O=C(N[C@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1c[nH]c2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPAJQBIGVDXKAN-ZYVIJUDCSA-N", "SMILES:Cl.O=C(N[C@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1c[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOFKROBSSXMMGR-SEZITJJFSA-N", "SMILES:Cl.O=C(N[C@@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOFKROBSSXMMGR-JFLQLRGLSA-N", "SMILES:Cl.O=C(N[C@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXRQAHVFFNIFFC-BCTJHDQDSA-N", "SMILES:O=C(N[C@H]1C=C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIINFDOCGZJYHF-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1329986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBDALNKHSDUHS-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(C(=O)c3ccc4nc(N5CCC(C)CC5)sc4c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1396461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKXWBHJFBGKHL-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1364928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNATFYYPPTOPR-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1356127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQCVRDHOXMOLR-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=O)c3ccc4nc(N5CCC(C)CC5)sc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEADRWVIFHOSGN-UHFFFAOYSA-N", "SMILES:O=C(ON1C(=O)CCC1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54804", "category": ["biolink:ChemicalEntity"], "name": "PRISTIMERIN", "xref": ["InChIKey:JFACETXYABVHFD-WXPPGMDDSA-N", "SMILES:COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL465181", "category": ["biolink:ChemicalEntity"], "name": "EUPHOL", "xref": ["InChIKey:CAHGCLMLTWQZNJ-WZLOIPHISA-N", "SMILES:CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1610344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWXGUANLVAIXOE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMMOGCVSFLSJR-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(=O)c3ccc4nc(N5CCC(C)CC5)sc4c3)CC2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTGUEPRQUFAZLN-BQYQJAHWSA-N", "SMILES:Cc1c(/C=C/c2cc(CNC(C)(CO)C(=O)O)ccc2C(F)(F)F)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLOKBYIOLWNIU-VWLOTQADSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)c2C)ncc1CN1CCCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCNMXQYXKRQRK-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)c2nc3c(s2)CNCC3)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJADAHLJUXELSD-CRYYWNKWSA-N", "SMILES:C[C@@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCC1CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMADIVPJSLSMQ-XLTVJXRZSA-N", "SMILES:N#Cc1cncc(COc2cc(OC3CCc4c(-c5ccccc5)cccc43)c(Cl)cc2CN[C@@H](CO)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OACWOGIHPHGQQB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3nc(C(=O)O)cs3)cc2Cc2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFSWFVAROMNIG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(OCC3CCCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIHTXADIQTGMY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(OCc3cccc(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLKULYWBXICOOH-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2cccc(-c3nn(-c4nc(C(=O)O)cs4)cc3Cc3ccc(S(N)(=O)=O)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXFOIATPZPAFE-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2cccc(-c3nn(-c4nc(C(=O)O)cs4)cc3Cc3ccc(S(N)(=O)=O)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUIVDAUBFHRSL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(OCc3ccccn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJPRTJZDLYJSX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(OCc3cccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHTYHPQFCZOQIM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(Oc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCFTYPXDVJTCJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)cc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACECJHMAHJGXGH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(OCC4CC4(F)F)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXISYBVNHYWUJN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(OCC4CCOC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USWVPIKTBQTYBO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(OCC4CCCO4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOCZTOCUQOZJKJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(OC4CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHBBNGMPEIMZHM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(OC4CCCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSZOUOYMONWDK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(OCc4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDBLDTYOILBDG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(OCc4cccc(F)c4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSAWXOPJUIGHNG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(OCc4ccc(F)cc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRFAOGWACFGECG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(OCc4ccc(C(F)(F)F)o4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGNWQWOTNYIRL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(Oc4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZBAUSYJWRPCU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(Oc4cccc(F)c4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACMDFRHXGCQKU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(Oc4cccc(F)c4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNBKZKOFCMXFL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(Oc4ccc(F)cc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZQISXOJRBBEO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(Oc4ccc(C(F)(F)F)cc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDKACGJYHWHBX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2cc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)c(F)c3)ccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFIHMKPTDEJID-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(N4CCOCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEWHXCWHSBHMR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(N4CCC(F)(F)CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTATVLBOVAJOK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(N4CCC(C(F)(F)F)CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSAFKHYVPYIVCZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(N4CCCC(F)(F)C4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNQBBWMJOALWNR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(N4CCCC(C(F)(F)F)C4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMWAMESLPDCUSD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(N4CCC(F)(F)C4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATTZHOSTJBBUDW-UHFFFAOYSA-N", "SMILES:CC(C)N1CC2(CN(c3cc(-c4nn(-c5nc(C(=O)O)cs5)c(CC5CC5)c4Cc4ccc(S(N)(=O)=O)c(F)c4)ccc3F)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIDJRLVIHGDJX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(Nc4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZHUPLCBZMQNK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(NC(=O)c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWLSQYWAMNFBDY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(N4CCCC4=O)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSZFGQAKJYXKP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKIXPJVJMUXDS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C(=O)N4CCCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNZSZIQGILMBB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C(=O)N4CCOCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQCUSVEDQIEAO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C(=O)NCc4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEEDZVGDNOYZGV-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTRIZQWMYZHDES-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(OCc2ccccc2)cc1)N(Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSNLMYIWIRKKV-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(OCc2ccccc2)cc1)N(Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMMVXVMJWKBZQV-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDBCMFLQIOWQM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVJDXAXTOWGORX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OCCCCc2ccccc2)cc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDNPVKDQXLYHO-JXFKEZNVSA-N", "SMILES:O=C(N[C@H]1CCC[C@H](CO)C1)C1CCN(c2nc3cc(Cl)c(-c4ccc(Cl)cc4)cc3o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1401572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLGMGPCUOOGIX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSUMEDFCYOUCJU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTRUKDINFDGKW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVKLTWMHQHXOQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEZMWKCCTHVQGP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPRJCBDQWUQTQL-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSXNNXBBFFFPV-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIQWASCJOQIOGR-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTMDNWJSQXSJJ-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCMHCHEIYFDGW-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLKGJYCZMZWSG-UHFFFAOYSA-N", "SMILES:O=C(NCCCO)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHICZWOCIUCFRM-UHFFFAOYSA-N", "SMILES:NC(=O)CCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXAPFURQJOHSIF-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHOIZZGPCLULPO-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOQPEZLTMBYELW-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXAWDIKDRBPPPW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQUFRVBTMAGGE-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSWLSLCCJIZQI-UHFFFAOYSA-N", "SMILES:CN(C)CCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJJOHHUHXMSTCX-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXNLUXTDIBWAD-HXUWFJFHSA-N", "SMILES:CCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODIVUVGESLAJDM-UHFFFAOYSA-N", "SMILES:CN1CCCCC1CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPZHLBQZUUMNQ-UHFFFAOYSA-N", "SMILES:CN1CCCC(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLLZWHBTKKJBRH-LJQANCHMSA-N", "SMILES:CN1CCOC[C@H]1CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOQNXCXUPKHSP-UHFFFAOYSA-N", "SMILES:CN1CCC(O)CC1CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGFZPSDRDQAPO-UHFFFAOYSA-N", "SMILES:O=C(NCC1COCCN1)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDSEKPVJLRTSY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(Cl)cc2)n(C2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQKKMVTRAAYBE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMIRKPGKQMPLNK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLHTNYPWCXHFJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWAVEULQIXNRBT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTANGFJUTBPGLV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCWKBJSBEHAOOA-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(C(=O)N3CCc4ccccc43)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDCIDLIICADGV-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc(-c3c4cn[nH]c4nc4c3oc3c(O)c(O)ccc34)c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMSMHWFPGOAYPC-ZWKOTPCHSA-N", "SMILES:c1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULCJXMWOPKAQH-MAUKXSAKSA-N", "SMILES:Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccccc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJAGAWFSZMYVGV-DLBZAZTESA-N", "SMILES:COc1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUPPNUNWWWNAS-WMLDXEAASA-N", "SMILES:COc1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWLWVRIAYVQGGX-RBUKOAKNSA-N", "SMILES:COc1cccc(-n2cc(CN[C@@H]3C[C@H]3c3ccccc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXBNZRPEUFXEH-QFBILLFUSA-N", "SMILES:COc1cccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCNVLMPNWKJDG-RBUKOAKNSA-N", "SMILES:COc1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZPABLWMIVXCR-QFBILLFUSA-N", "SMILES:COc1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKRKCLRDACOOY-ZWKOTPCHSA-N", "SMILES:FC(F)(F)c1cccc(-n2cc(CN[C@@H]3C[C@H]3c3ccccc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAQNNXSCCLONFV-MAUKXSAKSA-N", "SMILES:Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3cccc(C(F)(F)F)c3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNICHMGPMXJHIO-ZWKOTPCHSA-N", "SMILES:FC(F)(F)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDPWDLKVWTBLP-MAUKXSAKSA-N", "SMILES:Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJKFRVTNQCKPY-ZWKOTPCHSA-N", "SMILES:COc1ccc(OC)c(-n2cc(CN[C@@H]3C[C@H]3c3ccccc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIGJOOSRQUTZMP-MAUKXSAKSA-N", "SMILES:COc1ccc(OC)c(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJBAMZGCZXFTGT-VQTJNVASSA-N", "SMILES:COc1cc(OC)cc(-n2cc(CN[C@@H]3C[C@H]3c3ccccc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJDDMRWCOJKLGZ-FXAWDEMLSA-N", "SMILES:COc1cc(OC)cc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFTUYUUXWKTQI-ZWKOTPCHSA-N", "SMILES:FC(F)(F)c1cc(-n2cc(CN[C@@H]3C[C@H]3c3ccccc3)nn2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULXJCXWYIGVOU-MAUKXSAKSA-N", "SMILES:Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHBJBCQLJZYON-PFSRBDOWSA-N", "SMILES:NC1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2262842", "category": ["biolink:ChemicalEntity"], "name": "BREVILIN A", "xref": ["InChIKey:KUPPZVXLWANEJJ-UXPPPGSFSA-N", "SMILES:C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4860328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIFNHVKPRUTJT-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3ccccc13)C(c1ccccc1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWVOGAXLAOOLW-UHFFFAOYSA-N", "SMILES:COc1ccc(C2c3cc4ccccc4nc3-c3nc(=O)c4ccccc4n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZERANICIQUZPTE-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3ccccc13)C(c1ccc(Cl)cc1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJBWLYRKUMMBI-UHFFFAOYSA-N", "SMILES:COc1cccc(C2c3cc4ccccc4nc3-c3nc(=O)c4ccccc4n32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXFKIWNZXBQSI-UHFFFAOYSA-N", "SMILES:COc1cc(C2c3cc4ccccc4nc3-c3nc(=O)c4ccccc4n32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVWTDJXTKNZLS-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3ccccc13)C(c1ccc(Br)cc1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBQZYHPKFHCBO-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3ccccc13)C(c1ccc(F)cc1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZSEGSTRSIMLO-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3ccccc13)C(c1ccc(C(F)(F)F)cc1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZPOHOIMVGHPOR-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3ccccc13)C(c1cccc(Br)c1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPAFCISRKWYZCD-UHFFFAOYSA-N", "SMILES:CSc1ccc(C2c3cc4ccccc4nc3-c3nc(=O)c4ccccc4n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHSTLCTSHUYJH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1c2cc3ccccc3nc2-c2nc(=O)c3ccccc3n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGABNZSQCDUWRB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2c3cc4ccccc4nc3-c3nc(=O)c4ccccc4n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBYFMMBILJDEGD-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1C(c1ccccc1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMYPVRBECDPQS-UHFFFAOYSA-N", "SMILES:COc1ccc(C2c3cc4ccccc4nc3-c3nc4ccccc4c(=O)n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCTWZWJTLLDDM-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1C(c1ccc(Cl)cc1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNRRWKYHTISMFU-UHFFFAOYSA-N", "SMILES:COc1cccc(C2c3cc4ccccc4nc3-c3nc4ccccc4c(=O)n32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVMBRPGFKKVPS-UHFFFAOYSA-N", "SMILES:COc1cc(C2c3cc4ccccc4nc3-c3nc4ccccc4c(=O)n32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICCUMKAXXUXWMJ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1C(c1ccc(Br)cc1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAQZGKYXBXKIBO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1C(c1ccc(F)cc1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYFLQZVDXRFOA-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1C(c1ccc(C(F)(F)F)cc1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKRXMABAULSURZ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1C(c1cccc(Br)c1)c1cc3ccccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLLQPAHDBICHK-UHFFFAOYSA-N", "SMILES:CSc1ccc(C2c3cc4ccccc4nc3-c3nc4ccccc4c(=O)n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXALYCNZKFVTJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1c2cc3ccccc3nc2-c2nc3ccccc3c(=O)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMVHUDHKCAGBJE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2c3cc4ccccc4nc3-c3nc4ccccc4c(=O)n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZOIURBQCCFNK-GJZGRUSLSA-N", "SMILES:O=c1c2ccccc2nc2n1[C@H](c1ccc(C(F)(F)F)cc1)C[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIVDIWNONSGSPO-GJZGRUSLSA-N", "SMILES:O=c1c2ccccc2nc2n1[C@H](c1cccc(Br)c1)C[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RETSXLKHTIWLBH-HOTGVXAUSA-N", "SMILES:CSc1ccc([C@@H]2C[C@H](O)c3nc4ccccc4c(=O)n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1520901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNIPYBUMGBKFKQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHIMNZWWVOQICE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)CCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJGCWXHLLARFNQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)OCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWEIPXHYNMYSLL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=S)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBKTHMYDODYMF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N/C(=N\\C#N)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1460701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYJNVFPDNEYTI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCPFXZCRSIZGX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)NCc2ccncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHSCUBKTILWSO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)NC(C)c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEVXGUUUALFVOM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)NCc2cn[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRVZPPQJQYJFB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)NCc2cc[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADDHFWCNRZHEV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)NCc2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYLSLKYZHFGLD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)NCc2cocn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQYMYJUZLPDDM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)NCc2c[nH]nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSOHNHLOLGQCY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSBXYPZNKQJQJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFIKGHWMCXKQF-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLVTZJKIYFCOJ-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZZZIFVCZNJEHO-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASQPGKTUHBIPP-UHFFFAOYSA-N", "SMILES:CN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJKSDTMKQYQUTD-UHFFFAOYSA-N", "SMILES:CCN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHRRQCPVFVGKNY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJODKZZQLZOOIT-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVZCLFOPVBHYDL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBMDGVYQXUMTJ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNSYHSAJLQZYCQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYUFOLLUZULGAV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPIGZJIUNWHDRI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRFUAJAYJSNHRR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVNBMTBXTMDFOT-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn[nH]c1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQYSGZABYMFMD-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn[nH]c1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWVKFMSOKPCMIW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cnco1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEKCIKKOQGULLB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cnco1)Nc1ccc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMWMGHMFFNFXNI-SANMLTNESA-N", "SMILES:Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4862632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFRMMCCRNKCUIX-VWLOTQADSA-N", "SMILES:COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(=O)O)ccc23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4879273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQFHZUYBPEJEM-SANMLTNESA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCc3c[nH]c4ccccc34)c(=O)cc1[C@@H](NC(C)=O)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4871381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBDBTVKTLLIOR-FIBWVYCGSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(CCCN3CCCC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIXTLOKJHGYHZ-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCN(NCC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXAHQDRWZZNTK-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCN(NCCC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCMXLNOCVOEPRH-UHFFFAOYSA-N", "SMILES:CN(CC1CCCCC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJCTGDDSJUPDH-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCN(Nc3ccc(OC(F)(F)F)cc3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIVUJCLPPXBWKZ-UHFFFAOYSA-N", "SMILES:CN(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDUMDBOBMADVMH-IPBVOBEMSA-N", "SMILES:O=c1nc(N2CCN(/N=C/c3ccc(OC(F)(F)F)cc3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFVUULQXRRRKU-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCN(NCc3ccc(OC(F)(F)F)cc3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHVLOQPZCFLCD-UHFFFAOYSA-N", "SMILES:CC(c1ccc(OC(F)(F)F)cc1)N(C)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKVEWORNXYHAE-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)N2CC(=O)Nc3c2c1cc1[nH]c2c(Br)cccc2c31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTJUOYBNMSGRC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2ccccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUVZLGTWMOXRD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(Br)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPOOLSURVZPHRO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(I)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSEXMTNYNVBWSB-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXRYWEUVCDCBRM-UHFFFAOYSA-N", "SMILES:C[Si](C)(C)C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYCHPJMJSYQDC-UHFFFAOYSA-N", "SMILES:CC[Si](C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2)(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NACDNYRCONOWLY-UHFFFAOYSA-N", "SMILES:CC(C)(C)C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTLTMDWLCCRDK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(C#CC3CC3)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQZOZIORMMEFH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(C#CCO)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVXPWLPUGMYBAI-UHFFFAOYSA-N", "SMILES:CC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYEHTPAFVOGGKR-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKDQKPQARRCAR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNDBZYYAJDDKI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHEJLDMRDBHXIJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTDLBHIFCHWZEM-UHFFFAOYSA-N", "SMILES:NC(=O)NCCNC(=O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZRVHUEGXVFER-UHFFFAOYSA-N", "SMILES:COC(=O)CCCC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCOKUQHRUQGEF-UHFFFAOYSA-N", "SMILES:O=C(O)CCCC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXKMXANNSZRQM-UHFFFAOYSA-N", "SMILES:COC(=O)CC(C)(C)CC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFHRHDXYFBXLIQ-UHFFFAOYSA-N", "SMILES:CC(C)(CC(=O)O)CC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNIAPHCOMMUCZ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTPLAOUYMFAAHC-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEIWOVLVQXLWPQ-SZQRVLIRSA-N", "SMILES:COC(=O)[C@H](C)NC(=O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVXNTROPFBDOGR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYDBZMFMNBGTIP-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1321988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOHNRGHTJPFMSL-UHFFFAOYSA-N", "SMILES:S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUNCEPLJSSZFD-UHFFFAOYSA-N", "SMILES:S=C=Nc1ccc(NC(=S)NCCCNC(=S)Nc2ccc(N=C=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPRBMEZKLCMRNI-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3ccccc3O)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZRRSWUAATDBA-UHFFFAOYSA-N", "SMILES:COc1ccc(O)c(CNc2ccc3nc(C)c4nnc(-c5ccccc5Cl)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWNUTIPXXPCBC-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3cc(OC(F)(F)F)ccc3O)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNIHRIDXIWSAHZ-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3ccc(F)cc3O)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNUVSZRDABKAC-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3cc(F)ccc3O)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQAMZKOVSFLGMS-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3c(O)cccc3F)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNKNLWGNFOTTO-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3ccc(Cl)cc3O)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVCUDCYQJWTDDI-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3cc(Cl)ccc3O)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNEOJZBGVQXWOO-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLAPYBHZEQINSG-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3cc(Br)ccc3O)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQQHVQLGJMBSEI-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3ccccn3)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPRTATWZAJEJJ-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3ccc(Cl)cn3)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWVPKDGDBOTGNV-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3ccc(F)cc3)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNKMWFOKHHWFF-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NCc3ccccc3F)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXVBYOMQUDRGHQ-DHRITJCHSA-N", "SMILES:Cc1nc2ccc(/N=C/c3ccccc3O)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQBVFYCTSSMLT-RPPGKUMJSA-N", "SMILES:Cc1nc2ccc(/N=C/c3ccc(F)cc3O)cc2n2c(-c3ccccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIUJNBXYERGONS-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(C(=O)NCc3ccccc3)cc2n2c(-c3ccccc3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBNEMCPPGEXGE-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(C3CCC3)ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZUXVOBYZYAKSC-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2nc3ccc(C(=O)O)cc3n2CCc2ccc(F)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNIQPWWGQWIPLQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZLMWUNDPFSNY-BJMVGYQFSA-N", "SMILES:COc1c(C)cc(/C=C/C(=O)c2ccc(SC)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKAWSRZDFWKBOI-RUDMXATFSA-N", "SMILES:COc1c(C)cc(/C=C/C(=O)c2ccc(N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZRCAGJCUZKIA-IZZDOVSWSA-N", "SMILES:COc1c(C)cc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUUJMZJAQBXROZ-IZZDOVSWSA-N", "SMILES:COc1c(C)cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXDKOMLVUSTTHB-IZZDOVSWSA-N", "SMILES:CCCNC(=O)Nc1ccc(C(=O)/C=C/c2cc(C)c(OC)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVULOZPIZRTGFX-YIXHJXPBSA-N", "SMILES:COc1c(C)cc(/C=C/C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNJKENOQWQDTN-VGOFMYFVSA-N", "SMILES:COc1c(C)cc(/C=C/C(=O)c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLTZANZJAQSEC-RUDMXATFSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2cc(C)c(OCCO)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUTNWDSYPXIWQM-IZZDOVSWSA-N", "SMILES:CCC(Oc1c(C)cc(/C=C/C(=O)c2ccc(SC)cc2)cc1C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLAVYLLEFQNHS-KPKJPENVSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2cc(C)c(OCCCCC(=O)O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHEYYNNOGWKQSW-IZZDOVSWSA-N", "SMILES:CCCNC(=O)Oc1c(C)cc(/C=C/C(=O)c2ccc(SC)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQAWGRKSGAMKJO-BJMVGYQFSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2cc(C)c(OCCCN3CCOCC3)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCIWORSGGMZAP-KRXBUXKQSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHRSDLZWVTXEOY-RUDMXATFSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYJBGMLJVKGXIT-NYYWCZLTSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWLUCRFKYIFJER-NYYWCZLTSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIXQMMATOKHLO-ONNFQVAWSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2ccc(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZEUJSSCFIUAIH-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(SC)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPNPMEFSDBMGGP-KRXBUXKQSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSGGYUXXMRKKFV-WEVVVXLNSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2ccc(O)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEOIMIMGAKYMNQ-KRXBUXKQSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMFIRFSBSIPPJK-RMKNXTFCSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2cc(C)c(O)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWKBUGWWIWWSE-IZZDOVSWSA-N", "SMILES:CCc1cc(/C=C/C(=O)c2ccc(SC)cc2)cc(CC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APJKNHDUMFSYLM-KRXBUXKQSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL58929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGSIGQQHMBKCKZ-FPYGCLRLSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDNZQWAOIWOIKU-FPYGCLRLSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJWWTLLOMENRE-FPYGCLRLSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(I)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLGVKYCWTYOQM-RUDMXATFSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc([S+](C)[O-])cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTNLMHRANSODS-RUDMXATFSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(S(C)(=O)=O)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJXKTJIKQCAHE-MDWZMJQESA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWZWZXDMHANTQO-KGVSQERTSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASNVGPDEFNNXGM-BJMVGYQFSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(NS(=O)(=O)NC(C)C)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDQOIMCGWUUIRX-BJMVGYQFSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRQPMUPYDOTCA-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJTINRHPPGAPLD-DHDCSXOGSA-N", "SMILES:O=C(O)c1ccc(/C=C2\\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOGUUIOCYMBPV-SGTPJKRGSA-N", "SMILES:CCC(=O)CCCCC[C@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](Cc2cn(OC)c3ccccc23)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4878011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKZIQYVLEDCPQU-QHCPKHFHSA-N", "SMILES:CCCCCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTNPEBJVDYJIY-FQEVSTJZSA-N", "SMILES:CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQQCTCTRABOKI-IBGZPJMESA-N", "SMILES:CCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYJWPKRZDYHBA-SFHVURJKSA-N", "SMILES:CCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLZJSTWHFVINT-INIZCTEOSA-N", "SMILES:CC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLPJAVVYFQLJMH-UHFFFAOYSA-N", "SMILES:COc1nc2ccccc2cc1-c1cnc(CNC(=O)C2CN(C)C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLUEMMOFCPORO-DEOSSOPVSA-N", "SMILES:CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVNODFNJOACYSH-VWLOTQADSA-N", "SMILES:CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZYALTGXIQQGCT-NSYGIPOTSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](C)c1c(C)[nH]c2ccc(O)cc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVQXATPGALYVDI-DWXRJYCRSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](C)c1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBXGIRQFZKTBU-BVAGGSTKSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CN)c1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTWPJSNVYHZOPL-RDGATRHJSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CN)c1c(C)[nH]c2ccc(O)cc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBRCNUSZSJCCV-OXVFOGPNSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n(C(=O)c3ccc(C)cc3)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQWMSOMOYSGKJA-UHFFFAOYSA-N", "SMILES:CCc1cc2cnc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKSQRLIEJSXRFK-UHFFFAOYSA-N", "SMILES:CCc1cc2cnc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQCPOVYLRNWOU-UHFFFAOYSA-N", "SMILES:CCc1cc2cnc(CN3CCN(c4ccc(C(=O)NC)nc4Cl)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHGXNLCBUHNCN-UHFFFAOYSA-N", "SMILES:CCc1cc2cnc(CN3CCN(c4ccc(C(N)=O)nc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUAUKKDLUGQTE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c(CC(F)F)cc4cn3)CC2)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRRVBJZIWDDRJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c(CCF)cc4cn3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKMPKQKBAIEHM-AEFFLSMTSA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CCC(COc4ccc(C(F)(F)F)cc4Cl)CC3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWACRBWUBFSSF-CVEARBPZSA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(OCc4ccc(C(F)(F)F)c(Cl)c4)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXRIDMOUVPXIK-SJORKVTESA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4ccc(C(F)(F)F)cc4Br)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZNYSUAYYYKYMZ-NBIFXARBSA-N", "SMILES:Cc1ccc(COC2CN(C(=O)N3CC[C@@H]4OCC(=O)N[C@@H]4C3)C2C)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDQPCFUWDSJVGK-RTWAWAEBSA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(OCc4ccc(Cl)cc4Oc4ccccc4)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULFUMCUGHSWTN-SJORKVTESA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4ccc(C(F)(F)F)cc4F)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GECWYEGIHOUDQU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYMTXHVSXJUIPT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(NC3CCCC3)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDKKHBKWXKHEHO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3Br)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDGUKKHGDXPJQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(C)cccc3F)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIZNBOKGHFPHY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3F)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWAWQRWYMRJBSO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3Cl)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKEHSCYSYLGSJI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSIQVHZYQHUYGP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C(F)(F)F)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQUSLJIIYKFTDL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C(C)(C)C)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVBLNESWDRSUKK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C(C)(F)F)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPLKKLFDPBGPY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3OC)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZWMXICXIAIOK-UHFFFAOYSA-N", "SMILES:COCc1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN(C)C3)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGMZTABBCRAQKE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C(C)OC)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGMZTABBCRAQKE-HNNXBMFYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3[C@H](C)OC)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMRXAVMDVDUHT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3N3CCOC3=O)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNZOVUMVQFYGRI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3S(N)(=O)=O)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVQGHWKTETVLEV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C3CCCOC3)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDCWRIFVHQCFX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C3CCCO3)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZFLUIBCNIAJW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3CO)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBOTWOHRVMSTQS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C(C)(C)O)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSIKJIDMVQPFOU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(C)cccc3C)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTFBCDMFGPXAEJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(C)cccc3Br)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDFGSYOAYNWSBP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(F)cccc3F)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZLXOEIALAVGKH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(F)cccc3C(F)(F)F)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHVZJPLOFYJNG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(F)cccc3CO)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPZAYXKNNDUTTA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nccc(Nc3ccccc3)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXHCSDBVLZQNZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C)c(Nc3ccccc3)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNBDYWDRLLRFHL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(F)(F)F)c(Nc3ccccc3)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDAGDFGUCWONA-GHVJWSGMSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1"]}
{"name": "Class A carbapenemase KPC-2", "synonym": ["beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL5437"], "id": "UniProtKB:A8DS27", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEXVRADCLLEROT-WCWDXBQESA-N", "SMILES:CCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDBXXATLBNCFN-ZQHSETAFSA-N", "SMILES:c1ccc(COc2ccc(N3/C(=N/c4ccccc4)CC3c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYVFPXOOZJRTE-GHVJWSGMSA-N", "SMILES:COc1cccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COEXOSVXBILGIF-WCWDXBQESA-N", "SMILES:c1ccc(/N=C2\\CC(c3ccccc3)N2c2ccc3c(c2)OCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTLGNOSLYSHDI-QURGRASLSA-N", "SMILES:c1ccc(/N=C2\\CC(c3ccccc3)N2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDYXEZTDRQFQK-ZNTNEXAZSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccccc3)CC2c2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIGYFKCQSWISB-YYDJUVGSSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccccc3)CC2c2cc(Cl)cc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEDAPASKQSFTA-CYYJNZCTSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccccc3)CC2c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGTBZRBDSRALFK-YYDJUVGSSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHGWECHVVVANV-YYDJUVGSSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(Br)cc3)CC2c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQXDUXOLVQJMK-YYDJUVGSSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFUOSILXXOCVEB-XAYXJRQQSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(C(F)(F)F)cc3)CC2c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFVNNQVAUNHXGC-XTCLZLMSSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNDUWRZYPJERW-QUPMIFSKSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(C(F)(F)F)cc3)CC2c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWJJZJUOAOBSSZ-BYCLXTJYSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQEJLTCTZRJSHA-BYCLXTJYSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(Br)cc3)CC2c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QROMYRKSNGJTRP-BYCLXTJYSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYYQRODNMYWYOY-ORIPQNMZSA-N", "SMILES:CCOc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMFMZJCWPMCKF-ORIPQNMZSA-N", "SMILES:CCOc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCHEBXEPJZLGY-ZQHSETAFSA-N", "SMILES:CCOc1ccc(N2/C(=N/c3ccc(OC)cc3)CC2c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTRULKZXFJYKNF-YYDJUVGSSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKBOECLNVJRSW-YYDJUVGSSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXMMKROOCQOOS-VEWQFJOQSA-N", "SMILES:Clc1ccc(C2C/C(=N\\c3ccc(I)cc3)N2c2ccc(OCc3ccccc3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKVXZBVYSYLEHH-NJNXFGOHSA-N", "SMILES:Oc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQSPCWVMHUYLMN-XTCLZLMSSA-N", "SMILES:OCc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFLKWDYQOWAGM-YYADALCUSA-N", "SMILES:O=C(O)c1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDYRTZIRNBEGL-GHVJWSGMSA-N", "SMILES:CSc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLUDBXJZDIMSP-QURGRASLSA-N", "SMILES:Oc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLPSPDLADEZJH-XTCLZLMSSA-N", "SMILES:COc1ccc(N2/C(=N/c3ccc(I)cc3)CC2c2cc(Cl)cc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHQNMEFOMQRGGH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CN(Cc3ccccc3)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSWRKIJTVDUTO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCS(=O)(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOXXHXUPYUFVOS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CN(Cc3ccc(F)cc3)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMCOHBFOVQMRA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CN(Cc3ccc(C(F)(F)F)cc3)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PONZEZSIZCOULW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CN(Cc3ccc([N+](=O)[O-])cc3)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYKXCRLJKONENG-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CN2CCS(=O)(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGVDMSVRUABPI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CN(Cc3c(F)c(F)c(F)c(F)c3F)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIBNQSJWFMOFW-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCS(=O)(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPJIUXHZEUOTEB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CN(Cc3cccc(Cl)c3)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLWDASCCKLVLPW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CN(Cc3ccccc3)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGMYFIVOQGMVRR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCS(=O)(=O)N(CCc3ccc(S(N)(=O)=O)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZOFVGBBJCYAIV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CN(Cc3ccc(F)cc3)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJAPGVYEWBNIY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CN(Cc3ccc(C(F)(F)F)cc3)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRHFQDQWOOXKM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CN(Cc3ccc([N+](=O)[O-])cc3)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPCHURBYBJNPX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CN2CCS(=O)(=O)N(CCc3ccc(S(N)(=O)=O)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCKSTKBOWBBRZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CN(Cc3c(F)cccc3F)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPOPHAPOVHGRIK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CN(Cc3ccc(Cl)cc3)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYHDEAJZADPQEA-ROUUACIJSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBKDKXRHVKYHM-IUCAKERBSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTFAELUAWAFJSK-KBPBESRZSA-N", "SMILES:CCCCCCCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOMRKDKPHWGMJ-VABKMULXSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCADYRJYAZKYQR-FHWLQOOXSA-N", "SMILES:CCCCCCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWMCKNSYOZUQTR-NHCYSSNCSA-N", "SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYJOCCAIPRYCZ-OBJOEFQTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQKHWAPEFBQCOQ-IUCAKERBSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVERAEKOJZMMAT-IHRRRGAJSA-N", "SMILES:CCCC[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPSMTUGMQGDYNX-LURJTMIESA-N", "SMILES:Nc1nc2c(ncn2[C@H]2CCN(C(=O)CP(=O)(O)O)C2)c(=O)[nH]1"]}
{"name": "Hypoxanthine-guanine phosphoribosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2360"], "id": "UniProtKB:P00492", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDZNNBWOGALEMI-JZGIKJSDSA-L", "SMILES:Nc1nc2c(ncn2C[C@@H]2CCCN2CCP(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMQCBOUMDNVGP-UHFFFAOYSA-L", "SMILES:Nc1nc2c(ncn2CC2CCCN(CP(=O)([O-])[O-])C2)c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMAFLJUDYCSLA-UHFFFAOYSA-N", "SMILES:Nc1nc2c(ncn2CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPIOJYPMKSUOAQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c1ncn2CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAALDTZAHCUKQH-UHFFFAOYSA-J", "SMILES:Nc1nc2c(ncn2CC2CN(CCP(=O)([O-])[O-])CCN2CCP(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGKDCXGSEFSPRW-UHFFFAOYSA-J", "SMILES:O=c1[nH]cnc2c1ncn2CC1CN(CCP(=O)([O-])[O-])CCN1CCP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIPNSTSZJCLXEN-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(N)c2c1)CCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRIGVPNZAZYBZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(N)c2c1)CCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHHEOLSLPFFJF-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(N)c2c1)CCCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJGFHYBXHRQPEX-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Br)cc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJWPTPEQNDAHE-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Br)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBSOQIYRYHESRL-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Br)cc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWEQVGPZYVMENA-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Cl)cc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJAOYOXGWUUMFM-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Cl)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECDIGXGCMWRGA-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Cl)cc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVFODDBEYGKNOZ-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3c(Cl)cc(Cl)cc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGCMTNAYQLXBAX-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3c(Cl)cc(Cl)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPEQYKJGCJNYKO-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3c(Cl)cc(Cl)cc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFZFUIVPQFKPA-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3c(Br)cc(Br)cc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLCMEJEGPBNIW-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3c(Br)cc(Br)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHIWKKZYTRKUQJ-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3c(Br)cc(Br)cc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZNXXSDOPDKQFW-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(F)cc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCQWDJADJKQSX-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(F)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEORYHMCEQGECQ-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(F)cc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBDDSDAOSLSRX-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3cccc(Cl)c13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYOYZUMTFYYND-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3cccc(Cl)c13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNDVMGTAUNIFA-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N)c3c(nc2c1)CCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPIHOLUTDWJMGA-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N)c3c(nc2c1)CCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDMGBAIBUNEAW-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(N)c3c(nc2c1)CCCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDLOCHFSVYLLAF-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc3c(c(N)c12)CCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOYBUUZTHPXSE-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc3c(c(N)c12)CCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBGNVPUWQJDDCS-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc3c(c(N)c12)CCCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTODXQXZPUBBET-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(c(N)c2c1)CCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APNHXXBCWCZVTA-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(c(N)c2c1)CCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGACPWDKFRLKG-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(c(N)c2c1)CCCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYWASWVUAVIJCI-WVUKQZAQSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBJFHXPCQPDATM-VEVMIZFTSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMLPVMDHDBREH-WVUKQZAQSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXZLOIUQXHHSQG-VEVMIZFTSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBHKHSZASKQOF-UXHICEINSA-N", "SMILES:c1ccc(CNCC[C@H]2CCC[C@@H](c3ccccc3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBHKHSZASKQOF-VQTJNVASSA-N", "SMILES:c1ccc(CNCC[C@@H]2CCC[C@H](c3ccccc3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVPNFIKILBFIS-UXHICEINSA-N", "SMILES:c1ccc([C@@H]2CCC[C@H](CCNCC3CCCCC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVPNFIKILBFIS-VQTJNVASSA-N", "SMILES:c1ccc([C@H]2CCC[C@@H](CCNCC3CCCCC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHGZGNVHTXWHU-PKTZIBPZSA-N", "SMILES:c1ccc(CCCCNCC[C@H]2CCC[C@@H](c3ccccc3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHGZGNVHTXWHU-XZOQPEGZSA-N", "SMILES:c1ccc(CCCCNCC[C@@H]2CCC[C@H](c3ccccc3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKYOIBWCPDIQY-CABCVRRESA-N", "SMILES:CN(C)CC[C@H]1CCC[C@@H](c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKYOIBWCPDIQY-LSDHHAIUSA-N", "SMILES:CN(C)CC[C@@H]1CCC[C@H](c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRSTZUNRHHAEU-SJORKVTESA-N", "SMILES:c1ccc([C@@H]2CCC[C@H](CCN3CCCC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRSTZUNRHHAEU-DLBZAZTESA-N", "SMILES:c1ccc([C@H]2CCC[C@@H](CCN3CCCC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEZXRTIXFCIASE-PKTZIBPZSA-N", "SMILES:c1ccc([C@@H]2CCC[C@H](CCN3CCN(c4ccccc4)CC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEZXRTIXFCIASE-XZOQPEGZSA-N", "SMILES:c1ccc([C@H]2CCC[C@@H](CCN3CCN(c4ccccc4)CC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFNZXIBOGQPSNR-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOENKEVKXQUPAY-UHFFFAOYSA-N", "SMILES:Cc1cc2ncn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODPYYNLRURJCGN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMFIQDLSZGCTCA-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)(C)C)cc4)n3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLNRHPDJTJECFA-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc3nnc(-c4ccc(OC(C)C)cc4)n3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWCYIAZPLSWTR-MTQWNXOMSA-N", "SMILES:COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)NS(=O)(=O)C2(C)CC2)c(=O)c2c(C)c(-n3nccn3)sc21)O[C@@H]1C[C@H]2CC[C@@H](C1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTFNRHRKNKFIF-ILJOYBHNSA-N", "SMILES:COc1ccccc1[C@H](Cn1c(=O)n([C@H](C)C(=O)NS(=O)(=O)C2(C)CC2)c(=O)c2c(C)c(-c3ncco3)sc21)O[C@@H]1C[C@H]2CC[C@@H](C1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTQGZCLSLYDLAP-MTQWNXOMSA-N", "SMILES:COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)NS(=O)(=O)C2(C)CC2)c(=O)c2c(C)c(-c3ncco3)sc21)O[C@@H]1C[C@H]2CC[C@@H](C1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPOARRCFDZNOT-MTQWNXOMSA-N", "SMILES:COc1ccc(F)cc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)NS(=O)(=O)C2(C)CC2)c(=O)c2c(C)c(-n3nccn3)sc21)O[C@@H]1C[C@H]2CC[C@@H](C1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCNMDQLADQYKU-MTQWNXOMSA-N", "SMILES:COc1ccccc1[C@H](Cn1c(=O)n(C2(C(=O)NS(=O)(=O)C3(C)CC3)CC2)c(=O)c2c(C)c(-n3nccn3)sc21)O[C@@H]1C[C@H]2CC[C@@H](C1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAKDUYCCZWMZJD-XARGGIHNSA-N", "SMILES:Cc1c(-n2nccn2)sc2c1c(=O)n(C1(C(=O)NS(=O)(=O)C3(C)CC3)CC1)c(=O)n2C[C@H](O[C@@H]1C[C@H]2CC[C@@H](C1)O2)c1cc(F)ccc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDORWBIHRWDLV-CQSZACIVSA-N", "SMILES:CC(C)Oc1ccc(N2C(=O)Nc3c(C(=O)N[C@@H]4CCCNC4)sc4nccc2c34)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFKNKKBWPBDRF-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(OC(C)C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOYZRBGNXAUKMX-MRXNPFEDSA-N", "SMILES:CCC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(OC(C)C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWSQOLWJHPFPNP-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAJMFPTYRJJPY-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccccc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRSMPMAHADWRAI-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(OC(C)C)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZQRFSYZDSHHJL-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cc(OC(C)C)ccc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQSGKXSYPFMGQ-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASWNOIHYBPGAKA-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJBNPTURVKFXRG-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNXADJRBDPQDC-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNEMIRUDKPQJSM-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNC(=O)c1sc2nccc3c2c1NC(=O)N3c1ccc(Oc2ccccc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBNTDHHCQJMQZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJXHNMYRAHBBO-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJXHNMYRAHBBO-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CC[C@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHYGYDMVWSPBS-LEWJYISDSA-N", "SMILES:C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3c2c1NC(=O)N3c1ccc(Oc2ccccc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHODWDDAHBRXHH-WOJBJXKFSA-N", "SMILES:C=CC(=O)C[C@@H]1CC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGMLEPLOPUAWCF-FQEVSTJZSA-N", "SMILES:CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OC[Si](C)(C)C5(C(F)(F)F)CC5)n4)nc3N1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHYETIPQCKDJL-QFIPXVFZSA-N", "SMILES:CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5([Si](C)(C)C)CC5)n4)nc3N1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGWQOULSPAEMNW-QFIPXVFZSA-N", "SMILES:CC(C)(C)CC[Si](C)(C)c1ccn(-c2ccc3c(n2)N2C[C@@H](CCCNc4cccc(n4)S(=O)(=O)NC3=O)CC2(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPRICNRKRQIEKW-NRFANRHFSA-N", "SMILES:CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC[Si](C)(C)C)n4)nc3N1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXJUTCHAJZVNCX-FQEVSTJZSA-N", "SMILES:CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCC[Si](C)(C)C)n4)nc3N1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNBAFISXVKPSZ-IBGZPJMESA-N", "SMILES:CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OC[Si](C)(C)C)n4)nc3N1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMOCOZKMYSEOI-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCc3cn(Cc4cc(=O)c(O)co4)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOCDWCUNRAFBFY-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3ccc4c(c3)OCO4)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHMJHUIYTVBLMW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)c(OCc2cn(Cc3cc(=O)c(O)co3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHHWIFXVLUJQM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCc1cn(Cc2cc(=O)c(O)co2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXIBRLZOHWANPF-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNUUEFIMYJAML-ONEGZZNKSA-N", "SMILES:C/C=C/c1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWIGDFPKAIJJZ-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)ccc1OCc1cn(Cc2cc(=O)c(O)co2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRODESYEPWWKX-UHFFFAOYSA-N", "SMILES:COc1ccc(C=O)cc1OCc1cn(Cc2cc(=O)c(O)co2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPKHFDUWBPMNGB-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)=O)ccc1OCc1cn(Cc2cc(=O)c(O)co2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCSMINYQBHZKZ-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)cc(OC)c1OCc1cn(Cc2cc(=O)c(O)co2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJJZNKSNNFVVKR-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYUDOYWJQRWKW-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEKQEOWOPCPOAR-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATJLUHLWEHKPGY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZGMNWXEWODPIB-UHFFFAOYSA-N", "SMILES:O=c1cc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13883", "category": ["biolink:ChemicalEntity"], "name": "VANILLIN", "xref": ["InChIKey:MWOOGOJBHIARFG-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)ccc1O"], "synonym": ["Vanillin", "4-hydroxy-3-methoxy-benzyldehyde", "Lioxin", "Methylprotocatechuic aldehyde", "P-hydroxy-m-methoxybenzaldehyde", "Rhovanil", "Vanillic aldehyde", "Vanillin", "Vanillin melting point standard", "Vanillin, natural", "Vanilline", "FEMA NO. 3107", "H-0264", "NPLC-0145", "NSC-15351", "NSC-403658", "NSC-48383"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4447416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWAXADHPUYFGC-UHFFFAOYSA-N", "SMILES:CC(Oc1ccccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGBWKRQKGURHQM-UHFFFAOYSA-N", "SMILES:CCC(Oc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPJYOFKGSBZJSC-UHFFFAOYSA-N", "SMILES:CC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFUPJYWMYUSBO-UHFFFAOYSA-N", "SMILES:CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFWMMJJIHHXCY-UHFFFAOYSA-N", "SMILES:CCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRWGLQDBYNALG-UHFFFAOYSA-N", "SMILES:CCCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESXVBRTQORAMH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCCOc3cccc(Cl)c3Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YREDDRFGDDZWFS-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHYWETKTNNZSJF-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XILSSYCQBDFLEK-UHFFFAOYSA-N", "SMILES:CCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTZGOAZVYIYKPQ-UHFFFAOYSA-N", "SMILES:CCCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYFFKDPUNMJMP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCCOc3cc(Cl)ccc3Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZIGYQHVJAFLAI-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(Cl)c(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGHSFQANOLSQGB-UHFFFAOYSA-N", "SMILES:CCC(Oc1ccc(Cl)c(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RACXIEAYJFKQIR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCCOc3ccc(Cl)c(Cl)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNJWSDSFSUZCCQ-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQZFFYCUWOXXBD-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGBOXKMRZYMULK-UHFFFAOYSA-N", "SMILES:CCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLGIUGAWFUDHOU-UHFFFAOYSA-N", "SMILES:CCCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUZKNVEBOWVLA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCCOc3ccc(Cl)cc3Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHMSYNBSBZCAF-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBCSQNVVICLIT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(-c2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKPWKUJIHDGJJ-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3nc(Nc4ccc(NC(=O)CCCCCC(=O)NO)cc4)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJSLKPUUEAZXGK-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CCCCCCCCCCC(=O)NO)ccc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPWXWQIGDWQHR-FQEVSTJZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(C(=O)NO)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBBLWZNNVCFABF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCC(=O)NO)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCVYWWSLZGQEHY-UHFFFAOYSA-N", "SMILES:O=C(NO)C1CCN(CC(O)COC(Cn2c3ccccc3c3ccccc32)Cn2c3ccccc3c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWODTBOQFNUCFF-BLLAWTBHSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)NCCCCNC(=O)CCC(=O)O[C@H]1c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]31)OCO4)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOAGQOUETKWYRA-YFKTTZPYSA-N", "SMILES:CCC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1C[C@H](C)C(Cl)Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4850414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URLUPICIFJDTOG-YFKTTZPYSA-N", "SMILES:CCC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1C[C@H](C)C(Cl)(Cl)Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4869635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPJDNHRUIMEGM-GHMZBOCLSA-N", "SMILES:COC1=CC(=O)N(C(=O)[C@@H](CCC(Cl)(Cl)Cl)NC(=O)OC(C)(C)C)[C@@H]1CCC(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPJDNHRUIMEGM-MNOVXSKESA-N", "SMILES:COC1=CC(=O)N(C(=O)[C@@H](CCC(Cl)(Cl)Cl)NC(=O)OC(C)(C)C)[C@H]1CCC(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCKVHTWCIZSNPP-GHMZBOCLSA-N", "SMILES:COC1=CC(=O)N(C(=O)[C@@H](CCC(Cl)(Cl)Cl)NC(=O)C(C)(C)C)[C@@H]1CCC(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHFESBQXXKBMO-NXEZZACHSA-N", "SMILES:CCC(=O)N[C@H](CCC(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@H]1CCC(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHFESBQXXKBMO-ZJUUUORDSA-N", "SMILES:CCC(=O)N[C@H](CCC(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1CCC(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBYZQMTXRRUBO-NXEZZACHSA-N", "SMILES:CCC(=O)N[C@H](CCC(Cl)(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@H]1CCC(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBYZQMTXRRUBO-ZJUUUORDSA-N", "SMILES:CCC(=O)N[C@H](CCC(Cl)(Cl)Cl)C(=O)N1C(=O)C=C(OC)[C@@H]1CCC(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDLJVQLUDQMJL-GHMZBOCLSA-N", "SMILES:COC1=CC(=O)N(C(=O)[C@@H](CCC(Cl)(Cl)Cl)NC(=O)C(C)(C)C)[C@@H]1CCC(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNMBONHKHXEKE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(CCN1CCOCC1)C(C)N2C(=O)c1cccc(Cl)c1Cl"]}
{"name": "Mucolipin-1", "xref": ["CHEMBL.TARGET:CHEMBL4524043"], "id": "UniProtKB:Q9GZU1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTXOMMQHRIKGL-SFTDATJTSA-N", "SMILES:COc1ccccc1N1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTXOMMQHRIKGL-LEWJYISDSA-N", "SMILES:COc1ccccc1N1CCN([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTXOMMQHRIKGL-NHCUHLMSSA-N", "SMILES:COc1ccccc1N1CCN([C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPAVKZJYIQXFHA-VXKWHMMOSA-N", "SMILES:COc1ccccc1N1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYASQAWYITEFV-ROUUACIJSA-N", "SMILES:COc1ccccc1N1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXFLXPMLHHQYHZ-SFTDATJTSA-N", "SMILES:COc1ccccc1N1CCN([C@H]2CCCC[C@@H]2NC(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKGBMYHUARKBL-VXKWHMMOSA-N", "SMILES:O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECHTYZCENGTIZ-VXKWHMMOSA-N", "SMILES:O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZOEYZPTAYOIS-ZEQRLZLVSA-N", "SMILES:Cc1ccc(CN2CCN([C@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYXEYXGYWDUEV-IRXDYDNUSA-N", "SMILES:CN1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGVZEBWUFZSJY-GOTSBHOMSA-N", "SMILES:COc1ccccc1C1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCSPEJJPAHNND-GOTSBHOMSA-N", "SMILES:O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOANONOOFZNKU-SFTDATJTSA-N", "SMILES:O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCc2ccccc2C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJQHXEVUPWVZGD-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(c2ccccc2NS(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMNFELISZZOMI-ZEQRLZLVSA-N", "SMILES:O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(CCc2ccccc2)CC1)c1ccccc1"]}
{"name": "Mucolipin-2", "xref": ["CHEMBL.TARGET:CHEMBL4879493"], "id": "UniProtKB:Q8IZK6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mucolipin-3", "xref": ["CHEMBL.TARGET:CHEMBL1293243"], "id": "UniProtKB:Q8TDD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1363", "category": ["biolink:ChemicalEntity"], "name": "ARFORMOTEROL", "xref": ["InChIKey:BPZSYCZIITTYBL-YJYMSZOUSA-N", "SMILES:COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1"], "synonym": ["Arformoterol", "Formoterol r,r-form", "(-)-formoterol", "(r,r)-formoterol", "Arformoterol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4874511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCKXUXUVUSMDI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQXBEWHTDRJIP-KRWDZBQOSA-N", "SMILES:Cc1ccccc1CC(C)(C)NC[C@H](O)c1ccc(O)c2c1OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL605846", "category": ["biolink:ChemicalEntity"], "name": "OLODATEROL", "xref": ["InChIKey:COUYJEVMBVSIHV-SFHVURJKSA-N", "SMILES:COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1"], "synonym": ["Olodaterol", "Olodaterol", "Olodaterol", "Olodaterol", "Olodaterol", "BI 1744", "BI-1744", "Striverdi respimat", "Olodaterol"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4859326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYZFCJKHFMUOAG-REWPJTCUSA-N", "SMILES:CN(C)C(=O)CNc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPNBBZHLGJXPR-ZYHUDNBSSA-N", "SMILES:CC(C)N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CALZDBOFBGCWQC-TZMCWYRMSA-N", "SMILES:Oc1ccc2c(c1O)CC[C@@H](NC1CCCC1)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMFDGFCFAYFKCW-ZYHUDNBSSA-N", "SMILES:Oc1ccc2c(c1O)CC[C@@H](NCCCF)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPELBQWDPXGOEU-DGCLKSJQSA-N", "SMILES:Oc1ccc2c(c1O)CC[C@@H](NCC1CC(F)(F)C1)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNOBYZUUXMBKW-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(O)CC(O)CCc2cc(O)c(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIDWNCYOYKOUAC-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4282215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPIZJISFGAZXLS-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)C(c1ccco1)=NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4860455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZKQOWIOHELQY-UHFFFAOYSA-N", "SMILES:CC(C)NC(CO)c1cc(F)c(N)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZHSBVCCCRUZKX-ZTURCVLQSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)[C@H](Cc1ccc(C(N)=O)cc1)NC(=O)C(c1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWGFMNXTKZHDW-XMMPIXPASA-N", "SMILES:COc1ccc(Sc2ccc(S(=O)(=O)N(C)C(C)C)cc2C(=O)N[C@@H](CC(N)=O)Cc2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCLAAANHRZNOP-UHFFFAOYSA-N", "SMILES:CC(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAXNQGEJPFMGD-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUVBTVBVNNHLEO-UHFFFAOYSA-N", "SMILES:CCCCCCNC(CO)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPGNABXYXOGUGH-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccccc2)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLYODHJNMBXRK-IBGZPJMESA-N", "SMILES:COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3ccccc13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLYODHJNMBXRK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1c[nH]c3ccccc13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLYODHJNMBXRK-LJQANCHMSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H](Cc1c[nH]c3ccccc13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOURKYTNNDISC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1c[nH]c3ccccc13)N(C(C)=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOURKYTNNDISC-FQEVSTJZSA-N", "SMILES:COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3ccccc13)N(C(C)=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTKBCRXUMJCPQ-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(cc1OC)CCN(C=O)C2Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTKBCRXUMJCPQ-FQEVSTJZSA-N", "SMILES:CCOc1cc2c(cc1OC)CCN(C=O)[C@H]2Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFQIQEVTZQWNJY-NRFANRHFSA-N", "SMILES:CCOc1cc2c(cc1OC)CCN(C(C)=O)[C@H]2Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVCNCGISRDSJX-FQEVSTJZSA-N", "SMILES:CCOc1cc2c(cc1OC)CCN(C(=O)OC)[C@H]2Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEQXNDUXNGOAS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)C(Cc1c[nH]c3ccccc13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQKSIBDTUDMGIV-SFHVURJKSA-N", "SMILES:COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3cccc(Cl)c13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCQGBFVAPDIJD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1c[nH]c3cc(Cl)ccc13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCQGBFVAPDIJD-IBGZPJMESA-N", "SMILES:COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3cc(Cl)ccc13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUNSSCAXJNFIZ-SFHVURJKSA-N", "SMILES:COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3c(Cl)cccc13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDASIVJNKFLOLC-IBGZPJMESA-N", "SMILES:COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3ccc(Br)cc13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTAYUQWJJYOYMS-FQEVSTJZSA-N", "SMILES:COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3ccc(C)cc13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKLPEINJYCHRW-FQEVSTJZSA-N", "SMILES:COc1ccc2[nH]cc(C[C@H]3c4cc(OC)c(OC)cc4CCN3C=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMXLXZMCNOHGTP-NRFANRHFSA-N", "SMILES:COc1ccc2[nH]c(C)c(C[C@H]3c4cc(OC)c(OC)cc4CCN3C=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMYVTFMKJLDOY-IBGZPJMESA-N", "SMILES:CCOc1cc2c(cc1OC)CCN(C=O)[C@H]2Cc1c[nH]c2cccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXXCZNKQCAQHPI-IBGZPJMESA-N", "SMILES:CCOc1cc2c(cc1OC)CCN(C=O)[C@H]2Cc1c[nH]c2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGAMALDBUKJGN-FQEVSTJZSA-N", "SMILES:CCOc1cc2c(cc1OC)CCN(C=O)[C@H]2Cc1c[nH]c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYYXAMOQNHREK-QFIPXVFZSA-N", "SMILES:CCOc1cc2c(cc1OC)CCN(C=O)[C@H]2Cc1c(C)[nH]c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRKJGZFWWAJSSF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1c[nH]c3ccccc13)N(CCS(C)(=O)=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SADCTRDNVJFRSP-VWLOTQADSA-N", "SMILES:COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3ccc(-c4ccccc4)cc13)N(C=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUPMPZUBYVZGZ-NRFANRHFSA-N", "SMILES:CCOc1cc2c(cc1OC)CCN(C=O)[C@H]2Cc1c[nH]c2ccc(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWOJYZPWVKILL-UHFFFAOYSA-N", "SMILES:COc1cccc(CCn2c3c(c4c(OCCCCOc5cccc6c5c5c(n6CCc6cccc(OC)c6)-c6ccccc6C5=O)cccc42)C(=O)c2ccccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDWMFFYKRLDQW-UHFFFAOYSA-N", "SMILES:COc1cccc(CCn2c3c(c4c(O)cccc42)C(=O)c2ccccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIDJPKYLGBLQG-UHFFFAOYSA-N", "SMILES:COc1cccc(CCn2c3c(c4c(OCCCCCCOc5ccc6c(c5)-c5c(c7c(n5CCc5ccccc5)CC(C)CC7=O)C6=O)cccc42)C(=O)c2ccccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVASCVRKMXOAJR-UHFFFAOYSA-N", "SMILES:CC1CC(=O)c2c3c(n(CCc4ccccc4)c2C1)-c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPIQFGMMQDALL-UHFFFAOYSA-N", "SMILES:COc1cccc(CCn2c3c(c4c(OCCOc5cccc6c5c5c(n6CCc6cccc(OC)c6)-c6ccccc6C5=O)cccc42)C(=O)c2ccccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDEBRSAIABNHOG-UHFFFAOYSA-N", "SMILES:COc1cccc(CCn2c3c(c4c(OCCCCCCOc5cccc6c5c5c(n6CCc6cccc(OC)c6)-c6ccccc6C5=O)cccc42)C(=O)c2ccccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSMGMJWMSPTWKI-UHFFFAOYSA-N", "SMILES:CC1CC(=O)c2c3c(n(CCc4ccccc4)c2C1)-c1cc(OCCOc2ccc4c(c2)-c2c(c5c(n2CCc2ccccc2)CC(C)CC5=O)C4=O)ccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJEZGMNZMVCTGO-UHFFFAOYSA-N", "SMILES:CC1CC(=O)c2c3c(n(CCc4ccccc4)c2C1)-c1cc(OCCCCOc2ccc4c(c2)-c2c(c5c(n2CCc2ccccc2)CC(C)CC5=O)C4=O)ccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCGVBOCQHVWKC-UHFFFAOYSA-N", "SMILES:COc1cccc(CCn2c3c(c4c(OCCOc5ccc6c(c5)-c5c(c7c(n5CCc5ccccc5)CC(C)CC7=O)C6=O)cccc42)C(=O)c2ccccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLKSTGDSWRJKN-UHFFFAOYSA-N", "SMILES:COc1cccc(CCn2c3c(c4c(OCCCCOc5ccc6c(c5)-c5c(c7c(n5CCc5ccccc5)CC(C)CC7=O)C6=O)cccc42)C(=O)c2ccccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMOSACJTLKQEJW-UHFFFAOYSA-N", "SMILES:COc1cccc(CCn2c3c(c4c(OCCCCCCCCOc5ccc6c(c5)-c5c(c7c(n5CCc5ccccc5)CC(C)CC7=O)C6=O)cccc42)C(=O)c2ccccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSONJYMNNFECBU-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCN/C(=N\\C#N)Nc4ccncc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZHCSTJUZKGLGS-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCN/C(=N\\C#N)Nc4cccnc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHRYYIEFNUMAA-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCN/C(=N\\C#N)Nc4ccncc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJLGAXTBLLONX-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCN/C(=N\\C#N)Nc4cccnc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIIOTLRKRPDWPS-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCCN/C(=N\\C#N)Nc4ccncc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVDJOCODASVRT-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCCN/C(=N\\C#N)Nc4cccnc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPGUXVTRIHQDP-GVPWJHIJSA-N", "SMILES:CCCCCc1ccc(-c2cn(CCC[C@@H]3CO[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](O)[C@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBXGRYCGMRFRFP-LMLQULGWSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CN)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHVCACMAXYEPW-MENZVKOBSA-N", "SMILES:CCCCCCCCc1cn(CCC[C@@H]2CO[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGPNUIVQHZNEJO-MENZVKOBSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CCc3ccccc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYRXQACHPUUHBN-MTEHYEEQSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CCCCO)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYNRVLDROIFGBF-RCUFNAHASA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(-c3ccc(OC(F)(F)F)cc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADQFJUZJIVRSDT-LXDWIVHCSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(-c3cccnc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOFGBZQNHMMVTL-MENZVKOBSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CNCc3ccccc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTPWNCFCVLJKIS-ZADIZFFCSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CNC(=O)c3ccccc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWHBJQJDPZTNY-WQIFRTTPSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(-c3ccccc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJGEMBLEXNUBK-MENZVKOBSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CNC(=O)NCc3ccccc3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWUZSNXCDBPNMM-IECFSIQFSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](CCn2nnc(-c3ccccc3)n2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBQLTEZUAMOROQ-FQEVSTJZSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VECRFBOZRPVPBI-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CC(n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGIIQYHQQSPUDI-OAQYLSRUSA-N", "SMILES:CCC(=O)N1CCC[C@@H](n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGIIQYHQQSPUDI-NRFANRHFSA-N", "SMILES:CCC(=O)N1CCC[C@H](n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKALPRACRQGOZ-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFRLXSVKCBWHB-OYRHEFFESA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFRLXSVKCBWHB-MEMLXQNLSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@H](n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXDPSGEDJDTII-SZPZYZBQSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4C)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJUGHROMHGEVRH-GRGXKFILSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(OC)c4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTOSUNGTQJNJH-DKXQDJALSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUZWZIAVIKGASM-OYRHEFFESA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NC(C)=O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGCCZSTCROUQZ-SZPZYZBQSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NC(=O)C4CC4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLRNDKPKZQIXMT-SZPZYZBQSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NC(=O)C(C)C)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVUKZQHZOSWIS-SZPZYZBQSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NC(=O)C(C)(C)C)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNDMKKKGDMJWID-PSWAGMNNSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NC(=O)C4CCCC4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLYMONPGUOMIQL-PLQXJYEYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NC(=O)C4CCCCC4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKWXLQWGNFZFP-MLJQLJJWSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NC(=O)C45CC6CC(CC(C6)C4)C5)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFRWBBKHMLWYMJ-PLQXJYEYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NC(=O)c4ccccc4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVXUPNQWNJNAB-MKPDMIMOSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NC(=O)c4cccc5ccccc45)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSJIGHCHMKBPI-ZRZAMGCNSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CC[C@@H](NCC4CC4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUHBDUJQQRIGG-OYRHEFFESA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](n2c(=O)ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHROJYJZFVWHC-SZPZYZBQSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](n2c(=O)cc(CC)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSIGWVYXPSSUJD-SZPZYZBQSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](n2c(=O)cc(C3CC3)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFMVYTWBVMURBY-PLQXJYEYSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](n2c(=O)cc(-c3ccccc3)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHZYEHKEUQVMPN-SZPZYZBQSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](n2c(=O)c(C)cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKNIZILPMRKBCZ-PLQXJYEYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(C)c(=O)n([C@H]3CC[C@@H](NC(=O)C4CCCC4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQHBBXHIBVFNN-WMPKNSHKSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(C)c(=O)n([C@H]3CC[C@@H](NC(=O)C4CCCCC4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUPHQWCHLZJYPZ-CGSFZAOMSA-N", "SMILES:Cc1cc(-c2cnn3c(CC[C@H]4C[C@@](C)(O)C4)cc(Oc4cccnc4)nc23)ccc1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNLFZMBIFONJN-FQEVSTJZSA-N", "SMILES:CCC(=O)N1CC[C@H](n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHQCMLLHSZETR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CCN3CCCc4ccc(CC(C)C)cc43)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZNWKXCTLLCEBD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2c(c1)N(CCc1ccc(C(=O)NCc3ccc(S(C)(=O)=O)cn3)cc1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPPVWSYEONCKA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(CC(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGCXGBWVFHQCIO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CCN3CCOc4ccc(OC(C)C)cc43)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXILEJRDJDHOHB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKIFCMBNXMBIKB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(Cl)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAYSIRLUKQZUFJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(OC)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVMEBYYSMTWTO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(C5CC5)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKAAGBLPSIHAPG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(C(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWLXMBBMGWRSW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(C(C)(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLVHGAELRPNIV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(CC(C)(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDXIVNGPJFNDN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(CC5CC5)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFPXWNHDCAGBE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(C=C(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWHHLHMBWJDNE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(CN(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYEHULBIQQBOIG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(OC(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRCQSFNBVOHIP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(OC(C)(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRIXVEQKEMQDQA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(OC5CCC5)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPAANYWVIJMMNO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(OC5COC5)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGHCFYHJFSEPJZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(CC(C)C)cc43)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBZPUGXQXAXIE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(CCN3CCCc4ccc(CC(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYNLTOGNOIAQQH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CCN3CCCc4ccc(CC(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOOJOWOVFBKLBK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(CO)NC(=O)c2ccc(CCN3CCCc4ccc(CC(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTZGCOBPIFHTL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(CC(C)C)cc43)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQMTZIDEGMCBX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CCN3CCCc4ccc(OC(C)C)cc43)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKHSCJWOXNAELL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CCN3CCCc4ccc(OC5CCC5)cc43)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZYSUHSWIOQFE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CCN3CCCc4ccc(OC5COC5)cc43)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVWWTCBNBTFKW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCOc4ccc(CC(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFQGIBUOGAVEF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCOc4ccc(OC(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFAFHRGNISHPFN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCOc4ccc(OC(C)C)cc43)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOFOYJJKHPBHU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CCN3CCOc4ccc(OC(C)C)cc43)c(Cl)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGILPXWBHXZBLE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CCN3CCOc4ccc(CC(C)C)cc43)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCKKARIYYYMDBY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2c(c1)N(CCc1ccc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)cc1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJJZPBASLTISC-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc2c(c1)N(CCc1ccc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)cc1)CCO2)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXCHDSXEOEIED-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCOc4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKDDHKBJSHWGJM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQRGVUAXHHCJHH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4c(C)cccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUWMBVBWZLFMBX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCCc4ccc(F)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHJOFZGRYDGUOZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CC(=O)N3CCCc4ccc(CC(C)C)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472508", "category": ["biolink:ChemicalEntity"], "name": "CINTIRORGON", "xref": ["InChIKey:GULSIMHVQYBADX-FQEVSTJZSA-N", "SMILES:CC(C)(C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)cc(OC(F)F)c3)ccc2O1)C(=O)O"], "synonym": ["Cintirorgon", "Lyc-55716"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCOINBUSJSPOF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCOc4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNUIKUVGJLNROJ-UHFFFAOYSA-M", "SMILES:CS(=O)(=O)[O-].FC(F)(F)c1ccc([C+](c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFDXVREKLYKIR-UHFFFAOYSA-M", "SMILES:CS(=O)(=O)[O-].Cn1cc([C+](c2ccc(C(F)(F)F)cc2)c2c[nH]c3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHOBWKIVVUPHI-UHFFFAOYSA-M", "SMILES:CCn1cc([C+](c2ccc(C(F)(F)F)cc2)c2c[nH]c3ccccc23)c2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVYTIFEXUTLAJ-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC(=O)CCCCCCCC(=O)NCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLDLEWVHWAYPBQ-ZHZULCJRSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1ccc(-c2cn(-c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPSGCNWEQKOKPX-ZHZULCJRSA-N", "SMILES:Cc1ccccc1-n1cc(-c2ccc(/C=C3\\C(=O)Nc4ccccc43)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVOHEKRBLRRKU-STZFKDTASA-N", "SMILES:Cc1cccc(-n2cc(-c3ccc(/C=C4\\C(=O)Nc5ccccc54)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FATDOEVFHXBPDF-STZFKDTASA-N", "SMILES:Cc1ccc(-n2cc(-c3ccc(/C=C4\\C(=O)Nc5ccccc54)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXJQFOZMVCDILU-AQTBWJFISA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1ccc(-c2cn(-c3ccccc3F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVQTVQZIXBNWQN-MOSHPQCFSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1ccc(-c2cn(-c3ccc(F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BABVBOGFVAJRAX-MOSHPQCFSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1ccc(-c2cn(-c3ccc(Cl)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUPKIBMPPBTHL-MOSHPQCFSA-N", "SMILES:N#Cc1ccccc1-n1cc(-c2ccc(/C=C3\\C(=O)Nc4ccccc43)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVBBXCWMZRVJY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2cc(-c3ccc(C=C4C(=O)Nc5ccccc54)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGZFSMLRVJPGGE-WQRHYEAKSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1ccc(-c2cn(-c3ccc(Cl)c(C(F)(F)F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBOFXMYNCGRBJ-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(F)cc2C1=Cc1ccc(-c2cn(-c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRUHAZDAJYIFAE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1cc(-c2ccc(C=C3C(=O)Nc4ccc(F)cc43)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOELXJQRQANWNO-MTJSOVHGSA-N", "SMILES:Cc1cccc(-n2cc(-c3ccc(/C=C4\\C(=O)Nc5ccc(F)cc54)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNSCSNMJMLSVPF-MTJSOVHGSA-N", "SMILES:Cc1ccc(-n2cc(-c3ccc(/C=C4\\C(=O)Nc5ccc(F)cc54)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCCIGJWCMIUEQ-WQRHYEAKSA-N", "SMILES:O=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2cn(-c3ccccc3F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBMHJADAQLFESM-JMIUGGIZSA-N", "SMILES:O=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2cn(-c3cccc(F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUWAMMWMFILID-JAIQZWGSSA-N", "SMILES:O=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2cn(-c3ccc(F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGKBKDHJMWCYTJ-WQRHYEAKSA-N", "SMILES:O=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2cn(-c3ccccc3Cl)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKJUWMVGOHXEQI-JMIUGGIZSA-N", "SMILES:O=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2cn(-c3cccc(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDBCZUCXSREABA-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(F)cc2C1=Cc1ccc(-c2cn(-c3ccc(Cl)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJBGDWDQCWQKA-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-n1cc(-c2ccc(C=C3C(=O)Nc4ccc(F)cc43)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSFWEHSXRCASBU-NHDPSOOVSA-N", "SMILES:N#Cc1cccc(-n2cc(-c3ccc(/C=C4\\C(=O)Nc5ccc(F)cc54)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBORJZZEYKYCBE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2cc(-c3ccc(C=C4C(=O)Nc5ccc(F)cc54)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJSDFJONOHASER-NVMNQCDNSA-N", "SMILES:O=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2cn(-c3ccc(Cl)c(C(F)(F)F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCVJKLXUNUOUQM-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCWROXQFOZKET-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cc4[nH]cnc4c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYNQUTRYHYEBAK-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccccc2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPDXNJRQFVNOG-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cccc(C(C)(C)C)c2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFXHPGDCRVXQY-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cccnc2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAJCDWWKKVOQNM-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccccn2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLKQUGLQPTUCM-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)C2CCCCC2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBBOIPHGPGUKY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2cc3[nH]cnc3c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYOVECFLZJHBF-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ncc[nH]2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDMMSBETAMABU-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2c[nH]cn2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRIRUWLIMMCKPP-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2nc3ccccc3[nH]2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3647964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFPWWZEPKGCCK-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4855825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COYRYTMRNIVEKK-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc2c(ncn2C)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NULBNJZTCGRLNI-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnc3c(Nc4ccc(C(=O)N5CCOCC5)cc4)nc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXGUQUDZSAVRRZ-AZKGINQHSA-N", "SMILES:CCOC(=O)CCCCCCCOc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHGNRDVMKPYQN-VMMWWAARSA-N", "SMILES:O=C(O)COc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZPEZFTFMXGAF-MWIANEHASA-N", "SMILES:O=C(O)CCCOc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFANLMJPQRPPF-IQRFUGTFSA-N", "SMILES:O=C(O)CCCCOc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIKGICXPWUAHFK-LGKHCZOZSA-N", "SMILES:O=C(O)CCCCCOc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJKSJLVNKHDBZ-TZMRYXNNSA-N", "SMILES:O=C(O)CCCCCCOc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCKTWNMRJQPVLV-LGKHCZOZSA-N", "SMILES:CCOC(=O)CCCOc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNMEXRDVAGDSP-TZMRYXNNSA-N", "SMILES:CCOC(=O)CCCCOc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEORMAUJUFJHM-ICGSVKGVSA-N", "SMILES:CCOC(=O)CCCCCOc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFKXYFUQAANNHI-HMWDHGCWSA-N", "SMILES:CCOC(=O)CCCCCCOc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEJVMFPVEDPPGP-AZKGINQHSA-N", "SMILES:CCOC(=O)CCCCCCCOc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNMVFUPWRMITBP-VMMWWAARSA-N", "SMILES:O=C(O)COc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMGTOBMZQDGOT-MWIANEHASA-N", "SMILES:O=C(O)CCCOc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKAAHOOHDNXEQ-IQRFUGTFSA-N", "SMILES:O=C(O)CCCCOc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLHQATOTLSQESN-LGKHCZOZSA-N", "SMILES:O=C(O)CCCCCOc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYUGSHHBJQDFSO-TZMRYXNNSA-N", "SMILES:O=C(O)CCCCCCOc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXYENOTNIRYNF-ICGSVKGVSA-N", "SMILES:O=C(O)CCCCCCCOc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYKUVYUVBEMEQ-ZUOZUFPHSA-N", "SMILES:COC(=O)COc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYACWNVFRLWIG-IQRFUGTFSA-N", "SMILES:COC(=O)CCCOc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJKTWSNRGCBJS-TZMRYXNNSA-N", "SMILES:CCOC(=O)CCCCOc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLKGCAMNHVTYDH-ICGSVKGVSA-N", "SMILES:CCOC(=O)CCCCCOc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJXQJUUMXOGAGP-HMWDHGCWSA-N", "SMILES:CCOC(=O)CCCCCCOc1cccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLCZDPXCZLKLKY-DGTMBMJNSA-N", "SMILES:OC[C@H]1O[C@H](n2cc(-c3ccccc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUCZQGPRWHOFBA-ZUOZUFPHSA-N", "SMILES:COC(=O)COc1ccc(-c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYLARHBGAJREV-JXMROGBWSA-N", "SMILES:C#CCNC(=O)/C=C/c1cnc(Nc2ccc(C#N)cc2)nc1Oc1c(C)cc(C#N)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKKPMROIYVDVAG-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1SCC(=O)NCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SESRJRLBHQWLSW-MHZLTWQESA-N", "SMILES:CN(C(=O)c1ccc(N(CCN2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLASIBRBPBFFOG-LJAQVGFWSA-N", "SMILES:CN(C(=O)c1ccc(N(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1)[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCZABYAALUOWCA-SANMLTNESA-N", "SMILES:O=C(O)CN(CC(=O)N1CCN(Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEACBHPVJFFRBP-NDEPHWFRSA-N", "SMILES:CN(C(=O)c1ccc(N(CCCN2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWUAUZSXVLNUAM-SANMLTNESA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(N(CCN2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUBVTINDSLUGAC-LJAQVGFWSA-N", "SMILES:CN(C(=O)c1ccc(N(CCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNXDJKXLQDRPP-SANMLTNESA-N", "SMILES:CC(C)C[C@@H](C(=O)O)N(C)C(=O)c1ccc(N(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPSNAWFLRDFJN-SANMLTNESA-N", "SMILES:CC(C)C[C@@H](C(=O)O)N(C)C(=O)c1ccc(N(CCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKFOTLXPIIESQI-IEZKXTBUSA-N", "SMILES:CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCPJTEUURKCRNT-BHIFYINESA-N", "SMILES:C#CC[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXZHGXBRKJGXMY-PXNSSMCTSA-N", "SMILES:CCCC[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENBIJGEZVUECC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJZKPXQCASVSAI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYCNEHGXKCOET-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOYJPRJJZYCTM-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUOSTYPYKCSODL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFBQBNJYIIFEH-UHFFFAOYSA-N", "SMILES:CCOc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZEUJVGRKUBSOW-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSVWNVCSFTJKR-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXLJFZXXKFBVFT-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOVRVTAMNQRDPB-UHFFFAOYSA-N", "SMILES:CCCCCOc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZMFSSAIJBHFOZ-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNNJQTMOFZWGMI-UHFFFAOYSA-N", "SMILES:CC(C)COc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVMBLIVUXPNRO-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJVPHEKTTRXQPL-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHJXZKDQJHCNA-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKAZYBKUNREGPB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2cccc(OCC3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNVARGUYGPARCP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2ccc(OCC3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFRLZFNBOCDER-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVVUUHTNKUJMG-UHFFFAOYSA-N", "SMILES:Cc1cccc(COc2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYXWTUKDYLJAS-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORMDYGVZQPASD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2ccc(OCc3cccc(-c4ccccc4)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGKNXUMRJTDRS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cccc(COc2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHPGWRDHYEURH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASAZCLDRCQIDF-UHFFFAOYSA-N", "SMILES:Cc1cccc(COc2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCPVTDDYMDJJV-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUUTZUBUAKFTKV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSXVOIKDUOUKOT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDIZYXYTKYZZSL-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOGQFHVZOAUKJV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEFFGHWBBJGHJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2nc(-c3ccccc3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHEOYKFYSRPJST-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(-c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZJQDDYNRWWCZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2cccc(-c3cccc(OCC4CC4)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOCLKILCUMOEGY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2cccc(-c3cccc(OCc4ccccc4)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDNEYMEJWPCHS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2cccc(-c3cccc(OCCc4ccccc4)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONGLJQBCXBRPTJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3o2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVTJMPRUBFKDLU-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZPWOZMOXKRRT-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2cccc(-n3cnnn3)c2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJWGPDPKOTEAI-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2nc3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUHMMVRWJIBNO-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRRLZCYKAOOEO-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccnc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUWHHGVOZLPWQK-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3n2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPIAYNLKGWDKU-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWSAOJEEJDSRA-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2[nH]c3ccccc3c2-c2ccoc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMRYHNZYCSNCPS-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITQULPYJHXHCX-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECOPANJJUYUCT-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(-c4cn[nH]c4)cc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEURXYHRYWLVQH-UHFFFAOYSA-N", "SMILES:CCOC(C)n1cc(-c2ccc3cc(C(=O)Nc4cccc(-c5nncn5C(C)C)n4)[nH]c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYQBKOZDZJZMKR-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(-c4cnn(C5CCOCC5)c4)cc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSWKJBPONSMHH-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(-c4cccnc4)cc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKEUSOIWGYPPHH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMQLNJPCIOXDG-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXPJVUJMIAASO-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4cn[nH]c4)c3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STCVPQXZSJQICF-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccncc4)c3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEERPYPMIWDZBT-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccsc4)c3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOQMWRAHALCPKI-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(-c4cnn(C)c4)cccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCPVZOJLKCKCHU-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(-c4cn[nH]c4)ccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGYMQBQRBCBLRP-GFCCVEGCSA-N", "SMILES:C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVTGQTBQWAFCFB-AWEZNQCLSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)cc1-n1cnc(C2CC2)c1"]}
{"name": "Mitogen-activated protein kinase kinase kinase 5", "xref": ["CHEMBL.TARGET:CHEMBL4879411"], "id": "UniProtKB:O35099", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQKIXBAOVAPKB-UHFFFAOYSA-N", "SMILES:COc1cc2nncc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYRXJHWUKMKVJT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OC(COc1ccc(Cl)cc1)Cn1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIJVTISAGRJRKD-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC(Cn2cncn2)OC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSUHJNDEKITYFZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)OC(Cn1ccnc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDLPVSUZCNSDBP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OC(Cn1ccnc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYGZILAOURIOIA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)OC(Cn1ccnc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKAQFXMPPDANDQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)OC(COc1ccccc1)Cn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIDOVBEJPPEKU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)OC(COc2ccccc2)Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486400", "category": ["biolink:ChemicalEntity"], "name": "HEDERAGENIN", "xref": ["InChIKey:PGOYMURMZNDHNS-MYPRUECHSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4161103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGZAUUKJIJZEAS-MQLGQBSPSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGIHBAGFTLNWGA-XTIFVHJISA-N", "SMILES:CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGWGQILJLMGBHZ-YFAHWBCYSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)N3CCCCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCUWGZWXFHNEF-YFAHWBCYSA-N", "SMILES:CN1CCN(C(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDMKVQHPXGODU-UAAYHQKXSA-N", "SMILES:CCN1CCN(C(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCQBTUMSGLVOE-HJFDJLDKSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCC(=O)OCCOCCO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVXUMUKMVOLIK-ABSNUKIUSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCC(=O)OCCOCCOCCO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYDRSZXZQUWXDY-XUNVAGLCSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCC(=O)OCCOCCOCCOCCO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UREOIAHFOMNYPD-KVXMWSDVSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMGFVKAXTFRBTB-ROEYSRIBSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASJGTNHJXMOEKT-MYAITIFESA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(COC(=O)CCC(=O)OCCOCCO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPFTEOCOGJPMQ-DCIXNNLLSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKUUBFXGRJBJN-GLYFMXDRSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDPLFGXSSOEBGQ-VEMWUVCTSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWPXAQPENGLBD-NUGRJYISSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)[C@@H]5CC[C@]43C)[C@@H]2C1.CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKJLDWOXBZDJU-MTWDDMBASA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(C(=O)C[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYBCGJHDOKZRAG-MQLGQBSPSA-N", "SMILES:Cc1nc2c(s1)C[C@@]1(C)[C@@H](CC[C@]3(C)[C@@H]1CC=C1[C@@H]4CC(C)(C)CC[C@]4(C(=O)OCc4ccccc4)CC[C@]13C)[C@]2(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXIBZUEWBCBLW-RZUSFDEGSA-N", "SMILES:Cc1nc2c(s1)C[C@@]1(C)[C@@H](CC[C@]3(C)[C@@H]1CC=C1[C@@H]4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]13C)[C@]2(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPZFNSBRPDTMSV-GZDRZCFRSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn[nH]c6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVAXKRHZHZEQT-CYFLCHJQSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn[nH]c6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXRCIGVUDEMSX-UHFFFAOYSA-N", "SMILES:C#CCNC1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBONKYFCWAMKC-UHFFFAOYSA-N", "SMILES:C#CCN(C)C1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAAPLIWBESOIPZ-UHFFFAOYSA-N", "SMILES:C#CCN(C)C1=C(Cl)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDUFZCIDKWZPNM-UHFFFAOYSA-N", "SMILES:C#CCNC1=C(Cl)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDHTIMAUFICAI-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKRKPYLJMKNEOI-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cccc(c1)-c1ccnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTYNBZGKZGRDNC-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVVPWFQAOJGFRQ-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ccnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZNXDDUMHYOLFX-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)N1CCc3ccc(cc3C1)-c1ccnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWODBWXNYIQTI-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ccnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGJSZYYEKFUQPI-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cc(ccn1)-c1ccnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQTOTPOPSLTYPN-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(F)c(c1)-c1ccnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGSZTFWLXGLGS-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1F)-c1ccnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYGXXDWUBBWKAT-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1ccnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNWJIBREVXYDFW-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTYSFBAWGHTBK-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2nn13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLUPBYKXRIWQCL-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZQZVZQHOKSNJE-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1cnc3ccc-2nn13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNVCKQEAMDLCY-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1ncnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKUIGBXUTOOMRZ-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEXKSZVHHBDOBF-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ncnc3ccc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWBQBWKKZQNEG-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1cnc3ccc-2cn13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOXHMYTURAIHSR-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ccnc3ccc-2nc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMMNOMHFKNRTQ-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cnn3ccc-2nc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEVSZKHCEQKQQL-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2nc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHDGMNGCZXRIF-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnn3ccc-2nc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLWUWOHGNWCQKW-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2nc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPPYFMXRQXAML-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1cnn3ccc-2nc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKGJTIWDFROIA-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3sc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJDDPDNQHNXLC-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)Cc1cnc3sc-2nn13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLGSMHXQKQKWLO-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3sc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDLNPCMQRLKBNB-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)Cc1cnc3sc-2nn13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBAIEFIZAFPNRW-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3[nH]c-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEHAAWRVUWEHT-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cn(Cc2ccccc2Cl)c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBBWFSFMOBNAM-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cn(Cc2ccccc2F)c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQDFSYGWCAHWHL-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cn(Cc2ccc(Br)cc2)c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZKSMIBPGSWAMO-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(N3C(=S)N(c4cnc(C#N)c(C(F)(F)F)c4)C(=O)C34CCC4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858811", "category": ["biolink:ChemicalEntity"], "name": "TRC-253", "xref": ["InChIKey:OUEHJEYKNYQVRC-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCC3)N(c3ccc(OC4CCNCC4)nc3)C2=S)cc1C(F)(F)F"], "synonym": ["Trc 253", "Trc-253", "TRC253"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYQIDOKTISRPH-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCC3)N(c3ccc(OC4CCNCC4)cc3)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQULNFLHCKLUKJ-UHFFFAOYSA-N", "SMILES:COc1cc(N2C(=O)C3(CCC3)N(c3ccc(OC4CCN(C)CC4)cc3)C2=S)cnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENAQGXYNPWMPR-UHFFFAOYSA-N", "SMILES:COc1cc(N2C(=O)C3(CCC3)N(c3ccc(OC4CCN(C)CC4)nc3)C2=S)cnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMIXDFGOWWPZCA-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)C3(CCC3)N(c3ccc(OC4CCNCC4)nc3)C2=S)cnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSHKSIAPKOCNB-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCC3)N(c3ccc(OC4CCNCC4)nc3)C2=S)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXUTHWYFBPSNO-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCC3)N(c3ccc(OC4CCNCC4)cc3)C2=S)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWOXNKRFQAABQG-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(N3C(=S)N(c4cnc(C#N)c(C(F)(F)F)c4)C(=O)C34CCC4)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETCXMHYNSCFGK-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ncc(N3C(=S)N(c4cnc(C#N)c(C(F)(F)F)c4)C(=O)C34CCC4)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWTUBLVEMRHUOG-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCC3)N(c3cnc(OC4CCNCC4)nc3)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHOSAFVOARVEOA-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCC3)N(c3ccc(CN4CCNCC4)cc3)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBZOZSIQTBAFAL-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCC3)N(c3ccc(O)cc3)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVQKLJAAGDPIU-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(N2C(=O)C3(CCC3)N(c3ccc(O)nc3)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTNLGSPDQSMHHU-PNSMVNCNSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(CNCc3ccc(F)cc3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLSLNYMMJKNCEM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRVYFKJFMSHLMJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLTJMCDNULQBGF-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZPXOJVZWMHFSK-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXFBCXNGUYMOF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1c[nH]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBRVNLCDZZOLF-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(-c2ccc3c(Nc4cccnc4)n[nH]c3c2)cn1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVAYZGSDSVWVAV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1cccc(Nc2n[nH]c3cc(-c4cnn(CC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)c4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNXTZBAIOKDOQ-UHFFFAOYSA-N", "SMILES:Cn1cc2ccc(Nc3n[nH]c4cc(-c5cnn(CC(=O)Nc6ccc(Cl)c(C(F)(F)F)c6)c5)ccc34)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDSMJOBMYIPJAN-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2n[nH]c3cc(-c4cnn(CC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)c4)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKRNHPDJGXROY-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(Nc2n[nH]c3cc(-c4cnn(CC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)c4)ccc23)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUANGRPSSRBAFD-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTPBVYWWVPCHK-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(-c3cnn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIIQAJOSYHMZBG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(N)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUVRCHGTDBUDKC-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(-c3cnn(CC(=O)Nc4cccc(C(F)(F)F)c4F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYHNVPARTPWGNT-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)cn1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUTWZGYIKZEVGW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJJIPIRJWHNIJ-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)cn1)Nc1cccc(C(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWNBVURVCAFKST-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(C)c(C(F)(F)F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUVXAQPNGKTEAD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)C(C)C)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBERQXOGLDKPGV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)C5CCCC5)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEINIBDTXYEGCY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)C5CCN(C)CC5)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSYNFKGAXNAKD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5cccnc5)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBUQAQFCVKLDNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5cnn(C)c5)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROZGJKBSPHHCH-UHFFFAOYSA-N", "SMILES:CCNc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(C)c(C(F)(F)F)c4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXXYXXRFZGVGEU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NCC5CC5)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBUYPLGZNPKLX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)c(C)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQKVTKFQDDGITH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2nc(C)c(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)c2C)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXYABYMVJSFDL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cc2ccc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)s2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOBLUKTXQRMQSD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cc2cccc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTAVSLQHBNDMQA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cc2ccc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULYAZMWFIQWLFU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)nn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOIRMAYNUWFRGI-DNOSRLHDSA-N", "SMILES:CC(C)/C=C/C/C=C\\c1ccccc1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H]1COC(=O)[C@H]([C@H](C)C(=O)O)NC(=O)[C@H](CNC(=O)[C@@H](N)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMSMUKSEAVWMLS-DILUDIFQSA-N", "SMILES:CC(C)C/C=C/C=C/c1ccccc1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H]1COC(=O)[C@H]([C@H](C)C(=O)O)NC(=O)[C@H](CNC(=O)[C@@H](N)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4877957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXMDUDQLVWOZFM-UBWRPFCJSA-N", "SMILES:C/C=C/C=C/C/C=C\\c1ccccc1/C=C/C(=O)NC(C)C(=O)N[C@@H]1COC(=O)[C@H]([C@H](C)C(=O)O)NC(=O)[C@H](CNC(=O)C(N)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEQIUJALGSIAAW-MXWSEIOOSA-N", "SMILES:C/C=C/C=C/C=C/c1ccccc1/C=C/C(=O)NC(C)C(=O)N[C@@H]1COC(=O)[C@H]([C@H](C)C(=O)O)NC(=O)[C@H](CNC(=O)C(N)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSTOVEUALSXORR-UHFFFAOYSA-N", "SMILES:CNc1nc(C)c(-c2nc(Nc3cccc(N4CCN5CCC4CC5)c3)ncc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NACPOCRTATWMHW-PWRODBHTSA-N", "SMILES:CC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPXBHXKLNFAJO-QKNQBKEWSA-N", "SMILES:O=C(CO)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTDAYXIUIHCDSJ-MGCNMGEWSA-N", "SMILES:C[C@@H](O)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHXZNHHAYIMEF-PPJWLVRDSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAYVOLNYZLVHP-SGIRGMQISA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOSXSNSRYPKOEK-MIZPHKNDSA-N", "SMILES:CC(C)(N)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWRYGRXIBFINMN-YZUZCNPQSA-N", "SMILES:CC(C)(N)CC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPYBKGAGWDLLGV-SGIRGMQISA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVJSFFKLGIXIS-CLCZQPDDSA-N", "SMILES:CC(C)(C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDJFPJNHWITLET-CLCZQPDDSA-N", "SMILES:CC(C)(C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHWOVRTJVIWTP-QZNHQXDQSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROACKQUEHWSEU-ZWEKWIFMSA-N", "SMILES:CC(=O)N1CCC(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRJUAPRAKGTSJJ-VDGSWKMJSA-N", "SMILES:[2H]C([2H])([2H])N1C(=O)[C@@H](F)C[C@@H]1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOVVQYRXOGCBJM-ISJGIBHGSA-N", "SMILES:CS(=O)(=O)N1CCC(N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEVGQAWENLOSKD-RBZQAINGSA-N", "SMILES:O=S1(=O)CCC(N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTOPUMYXPVWTOE-WMTXJRDZSA-N", "SMILES:O=S1(=O)CCC(O)(N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHYHLFUAPFACM-FIHPKFJVSA-N", "SMILES:C[C@H]1C[C@H](C(=O)O)CC[C@H]1NN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAMUTXRZSRPVKZ-QEXRHJMMSA-N", "SMILES:N#CCCN1C(=O)[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMAZBCPOZHTEH-IQOZXTCSSA-N", "SMILES:[2H]C([2H])([2H])N1C(=O)[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBQTCAXHJRSEO-XUVXKRRUSA-N", "SMILES:CS(=O)(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCNRCEJPYGIIKM-QKNQBKEWSA-N", "SMILES:NS(=O)(=O)CC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZULQGVRCOYVLF-STHMRSITSA-N", "SMILES:O=C(O)[C@H]1CC[C@H](NN2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHDPGAMOUIIJK-QKNQBKEWSA-N", "SMILES:CNC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSLZOVDVKRRVRO-TUNNFDKTSA-N", "SMILES:O=C(NCCO)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUXWWBOVSADDJ-YZUZCNPQSA-N", "SMILES:CC(C)(O)CNC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOFFDFUNCSMWOE-YZUZCNPQSA-N", "SMILES:CC(C)(O)COC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOECFZWOISFIGD-YZUZCNPQSA-N", "SMILES:CN(C(=O)C(C)(C)O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227934", "category": ["biolink:ChemicalEntity"], "name": "STRYCHNINE", "xref": ["InChIKey:QMGVPVSNSZLJIA-FVWCLLPLSA-N", "SMILES:O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46"], "synonym": ["Strychnine", "Strychnine", "Strychnidin-10-one", "Strychninum", "NSC-5365"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4870655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITBEFQCWFXBGL-IHVALESMSA-N", "SMILES:CCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVKCDTZLPGASQ-UDTMQTJVSA-N", "SMILES:O=C(CCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODYPUWBHZWAKK-LOXSAPSNSA-N", "SMILES:O=C(CCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDPHPDIOIHJMJX-SPHOHJMZSA-N", "SMILES:O=C(CCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIDNROXWZXYOPU-LRMVCSOMSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLCSKZVXUOKPBG-UZNBVYRHSA-N", "SMILES:O=C(CCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZVCWOBWGTWOF-WYDIPWKSSA-N", "SMILES:O=C(CCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAIFFNCOIUBILX-KASJINIESA-N", "SMILES:O=C(CCCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPQUQFEOPBULC-YOMUDNKVSA-N", "SMILES:CCCCCCCC(=O)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJIFYCPZPSDPJ-FDWZGXJBSA-N", "SMILES:O=C(CCCCCC(=O)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTIIJGSQWGQYEV-KSGXWREISA-N", "SMILES:O=C(CCCCCCC(=O)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGABAPWHMDCPPG-LFGLZHBQSA-N", "SMILES:O=C(CCCCCCCC(=O)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFKYMJUYHLRDT-YZZVCRKCSA-N", "SMILES:O=C(CCCCCCCCC(=O)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPABPFPPIASSB-PIEKUKNPSA-N", "SMILES:O=C(CCCCCCCCCCC(=O)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMAWFGKUOAYFC-LSXRPJQPSA-N", "SMILES:O=C(CCCCCCCCCCCCC(=O)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUEBHAJCPDIBKG-MGTFOJIVSA-N", "SMILES:O=C(CCCCCCCCCCCCCCC(=O)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRBNASMXJRDFTF-GPQRCDDOSA-N", "SMILES:O=C(CCCCCCCCCCCCCCC(=O)NCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTBYHYPWZSJAF-VMKDXUQRSA-N", "SMILES:CCCCCCCC(=O)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCBBEKAPHDDAN-ZZSDGBHCSA-N", "SMILES:O=C(CCCCCCC(=O)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRIKHSDOGYQBSJ-KIIKPOHQSA-N", "SMILES:O=C(CCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCRHEFSSRKCHT-VQVSISRWSA-N", "SMILES:O=C(CCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYUYNRWYKNYGT-GMTZVCAPSA-N", "SMILES:COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCWYMWXQUDCIMC-WFGRIKRVSA-N", "SMILES:COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQMVLFAEBALNCN-VQVSISRWSA-N", "SMILES:O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBMXWRQHIYJAPJ-SBTVUUJFSA-N", "SMILES:O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCIMFIWYBQZMH-GHGDASMBSA-N", "SMILES:O=C(CCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUYOPQQDOWYVNL-MXXQITSTSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMUZMGQJASJLGY-LYGWOZEDSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEEFKBQIWHYNIP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)C(CC1CCNCC1)NC(=O)OCC1c2ccccc2-c2ccccc21)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAQIYHHIODKRPM-RKXZMHEPSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)[C@H]1CCCN1)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLCCFYAMXSGQX-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)CCN)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEETVCQPBYXWCB-MHPRJFMDSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)[C@@H](N)CCCCN)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXNYLOWTXJFIKY-NSWCCMNESA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CCCCN)NC(C)=O)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZJZCISEILCZGO-MMCIQVQESA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)[C@H]1CC[C@H](N)CC1)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMJDFSVJWUREF-RVACUMEASA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)[C@@H](CCCCN)NC(=O)OCc1ccccc1)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHNVDUYZSGNKP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)C1(NC(=O)OCc2ccccc2)CCNCC1)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIESZZBGEBIJAC-ZQBZJLFPSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CCCCN)NCc1ccc(F)cc1)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXTCUZIITLNDOZ-FFHACYOXSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CCCCN)NCc1ccc(-c2ccccc2)cc1)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADISAHGCDBPOQC-RVACUMEASA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)[C@@H](CCCCN)NCc1ccccc1)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADISAHGCDBPOQC-ZQBZJLFPSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CCCCN)NCc1ccccc1)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYJQGWHPRGYTPP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)c1cccc(N2CCNCC2)c1)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPZPZTBAZGHIJI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCOCC(CNC(=O)c1cccc(C2CCNCC2)c1)OCCCCCCCCCCCCCC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOCYZSLRLXFAR-NRFANRHFSA-N", "SMILES:CCCCCCCOCCNC(=O)[C@H](CCCCN)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJLUMBCVCMVTB-SANMLTNESA-N", "SMILES:CCCCCCCCCCCCCCNC(=O)[C@H](CCCCN)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDJYWZXUPYJZFK-XSYHWHKQSA-N", "SMILES:CCCCC/C=C\\CCCCCCCOCC(CNC(=O)c1cccc(C2CCNCC2)c1)OCCCCCCC/C=C\\CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWFUPXMFMAYRJ-MAZCIEHSSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCCOCC(CNC(=O)c1cccc(C2CCNCC2)c1)OCCCCCCCC/C=C\\C/C=C\\CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOBZROFHKHOPJ-WCSIJFPASA-N", "SMILES:CCCCCCCOC(CNC(=O)[C@H](CCCCN)NCc1ccccc1)COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTQARISHJFWCP-POCCZOHFSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H]1/C=C\\[C@]2(O)C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CC[C@]2(O)[C@]2(C)C(=O)C[C@@]1(C)[C@@H]2CC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIRUWLLHMKMBMR-OMVRTRGSSA-N", "SMILES:CC(=O)O[C@H]1C[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]32[C@]2(C)[C@H](O)C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFXELNWUGPKCZ-BJDXAYNCSA-N", "SMILES:CC(=O)O[C@H]1C[C@@]2(C)[C@H](C3=C[C@@H](O)OC3=O)OC(=O)[C@H]3O[C@]32[C@@]2(C)[C@H]1[C@@]13COC(=O)C[C@@H]1OC(C)(C)[C@@H]3C[C@H]2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHXMBRAEKSSSL-YOEPIPLCSA-N", "SMILES:CC(=O)O[C@H]1C[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]32[C@@]2(C)[C@H]1[C@@]1(C)C=CC(=O)OC(C)(C)[C@@H]1C[C@H]2OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4870060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFADVMDMXMEBDZ-MAWUBSOPSA-N", "SMILES:COC(=O)[C@@H](OC(C)=O)[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4864804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXOAPVFOGTLOS-UHFFFAOYSA-N", "SMILES:CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)C)cc1C2"]}
{"name": "Protein ADM2", "xref": ["CHEMBL.TARGET:CHEMBL5267"], "id": "UniProtKB:Q7Z4H4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOJPQMRHKVONBX-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQWGULZVWGJRW-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBHJATXZWGCIG-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBCXIBKRVGAGZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNILBSDGWPWQSU-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1C1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQISNHNOJSENBH-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGIFNNBVWRHBD-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYBWKUCWILMEF-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRWLBOFPVIUBO-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQHGFOYAJNUCBA-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1cccc(CN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFJNYPKJVMZLGE-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTIDWMANFACEDL-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJZYXOMBGDNIO-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1cccc2c1CNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXEFEMMYYUMNJL-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFLNBARNZDDSHZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1Cn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNSOFQZJFHPBZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONSKPSPIXYLCH-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPUENWAPGSUFB-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ncccc1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHNNVWWPUUIQC-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1CNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZLNCWDRQNNEQ-UHFFFAOYSA-N", "SMILES:CNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJVGFYWKQAXKOP-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1CNC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUSEVZJMJWROC-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1ccccc1CN1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOKAVKVGYOGFJX-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1CN)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZBJWPVNVFOEZ-UHFFFAOYSA-N", "SMILES:CC(N)c1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHYJHSZGPYLRGF-UHFFFAOYSA-N", "SMILES:CN1CCCC(CN(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)C(C)(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLABGSRYMWXES-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(C(=O)OCC)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJZJAPEVBEKCT-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(-c2n[nH]c(Cc3ccccc3)n2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJQVZEYYEJSXFH-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(-c2nc(Cc3ccccc3)no2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSVSEJSONIWPEN-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(-c2nnc(Cc3ccccc3)o2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVIGKSFGMUYBAV-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(-c2nnc(Cc3ccccc3Cl)o2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIWBOCTNKWVIK-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(-c2nnc(Cc3cccc(Cl)c3)o2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVQBRPJRQVFAK-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUWKAZWGHQRPFG-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(-c2nnc(-c3ccc(Cl)cc3)o2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWCDZDNMBSGLG-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-c1c(C2CC2)[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFJZLGBRDYJKB-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-c1c(C2CCCC2)[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDOKTIJAGQITI-UHFFFAOYSA-N", "SMILES:COCCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJUUXADEGFYYEW-UHFFFAOYSA-N", "SMILES:CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYACKGRXWPIXDR-UHFFFAOYSA-N", "SMILES:CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)nc3)o2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWVXOKHLRWCRN-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEIMEDSMTHKZAK-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQIFLPSSMVVTR-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZNXCTLMEZMLDG-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNUWMPOQRIYTDT-UHFFFAOYSA-N", "SMILES:Cc1cc2occ(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccc(Cl)c(Cl)c3)c(=O)c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTSSGSPWNEDLL-UHFFFAOYSA-N", "SMILES:Cc1cc2occ(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccc(Br)cc3)c(=O)c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUUDRSRNYDEFPD-UHFFFAOYSA-N", "SMILES:Cc1cc2occ(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccc([N+](=O)[O-])cc3)c(=O)c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2387229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXXUIOGPPBTJN-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCSJNNBJTFWLCL-UHFFFAOYSA-N", "SMILES:O=c1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)nn1-c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFATXWJLBURBCJ-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c3c(c1)CCN3C(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGYORIOPYTSDW-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CN5CCCC5)cc4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBSZYLFXYCHZJR-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CN5CCCC5)cc4Cl)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLYNFMNKJGCNN-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWMDXVSMHTLOY-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCCC2)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHNLJHQYLBBSB-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CN5CCCCC5)cc4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAIZFEIVFOBJJX-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CCN5CCCCC5)cc4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUYAMBLAURQHK-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CN5CCCCC5)cc4F)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRZQXGOVFSDAD-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CN5CCCCC5)c(F)c4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPIMYAKYUJUQV-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCCCC2)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQWHPPMEWVYOCN-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CN5CCOCC5)cc4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIDMUSSNFOKJBO-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCCOc4ccc(CN5CCOCC5)cc4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWHFISHLSCXQIT-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CN5CCOCC5)cc4F)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVUBEVDDDEKLM-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CN5CCOCC5)c(F)c4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJDQVOLRQLNUCX-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CN5CCOCC5)cc4Cl)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMQRGOWDOYXFIQ-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CN5CCOCC5)c(Cl)c4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTKOPGIBNCWRJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFLDMZUQHIXFAK-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCOCC2)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCAUWCISADYVAP-UHFFFAOYSA-N", "SMILES:CC1CCN(CCc2ccc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRMAPALWSALKCW-UHFFFAOYSA-N", "SMILES:CC1CCN(CCc2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVKKFHFADVKMW-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZDANPPRKVYGPL-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQICDAPFTVTGQB-UHFFFAOYSA-N", "SMILES:CN1CCN(CCc2ccc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEMXIHCAGOPHX-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3CCN(CCCOc4ccc(CCN5CCOCC5)cc4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKYXWMXVGTMNN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)c2[nH]c(C(=O)c4ccccc4)c(C(=O)c4ccccc4)c2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXWMNOPJYRREKZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)C=C(NCCc2c[nH]c4ccccc24)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL453196", "category": ["biolink:ChemicalEntity"], "name": "ETHYLGALLATE", "xref": ["InChIKey:VFPFQHQNJCMNBZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(O)c(O)c(O)c1"], "synonym": ["E313"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4864986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOYSUVWOHIXRV-UHFFFAOYSA-N", "SMILES:N=C1NCCN1c1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"name": "Enteropeptidase", "xref": ["CHEMBL.TARGET:CHEMBL1741195"], "id": "UniProtKB:P98073", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVOUEJRALYZDU-UHFFFAOYSA-N", "SMILES:N=C(N)NCc1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYCGWIFAKNJNN-UHFFFAOYSA-N", "SMILES:CNC(=N)Nc1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSEAQSKVZJKVEK-UHFFFAOYSA-N", "SMILES:CN(C(=N)N)c1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQLVMDDYUJWJX-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(OC(=O)c2ccc(NC3=NCCN3)cc2)c2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPSBTBLADAYMOT-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(OC(=O)c2ccc(NC3=NCCCN3)cc2)c2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOHAKAIHGPYNK-UHFFFAOYSA-N", "SMILES:C/N=C(\\NC)Nc1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOUQQUVWZUNWKE-UHFFFAOYSA-N", "SMILES:CC(=N)Nc1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKQQZMDOZPMJKV-UHFFFAOYSA-N", "SMILES:C/C(=N\\O)Nc1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACCZIHLVNNNPB-UHFFFAOYSA-N", "SMILES:CNC(=N)c1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXSFKKBVRVFTK-UHFFFAOYSA-N", "SMILES:N=C(NN)c1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXYULVLAWUMEHB-UHFFFAOYSA-N", "SMILES:CONC(=N)c1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFPREWYLRKCXHF-UHFFFAOYSA-N", "SMILES:N#CNC(=N)c1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFNRXTYSGHXFI-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(OC(=O)c2ccc(C3=NCCN3)cc2)c2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGLBKYRHTWHOU-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1cccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUZPHJAHFBHDJ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=N)N)ccc1C(=O)Oc1ccc(CC(=O)O)n2ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKFCVXFINNHNS-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCVPTAIJNQZAY-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYACMVBMQWKKT-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKLNMTIVKOZGMK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)ccc1NC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGKGDUCEJDDOM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)ccc1NC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSHRDRNHXIYBZ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)ccc1NC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBDNKSIOJREPBW-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)O)n3ncnc23)c2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKQGLIGTWMXGN-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZEOGHHTPQSRPY-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)O)n3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDOPYKGJRQRRZ-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2cc(CC(=O)O)cn3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJAPPULTMQCESG-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2cc(CCC(=O)O)cn3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPHHLJEMNELSV-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)NCC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDBVCVVUPYXKBL-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N(CC(=O)O)CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLWQOHVLISTZLU-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)NC(CC(=O)O)(CC(=O)O)CC(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMKMUNEQSWKBH-ZDUSSCGKSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXUJRWOHXVUAT-SFHVURJKSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CCOC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWCWSXLKLMTBSD-FQEVSTJZSA-N", "SMILES:CC#C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CCOC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKVSGDGUFQFGH-IBGZPJMESA-N", "SMILES:CC#C[C@@]1(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)CCOC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQZFPFZPQDYFM-HNAYVOBHSA-N", "SMILES:CC#C[C@]1(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N=C(N)OC[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKEKFCISVPCTHV-JOCHJYFZSA-N", "SMILES:CC#C[C@]1(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N=C(N)OCC12CC(F)(F)C2"]}
{"name": "Beta-secretase 2", "xref": ["CHEMBL.TARGET:CHEMBL3638357"], "id": "UniProtKB:Q9JL18", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIIRQZTJJMJDY-PIJHVLQJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXFVFPOYZLTLU-HXPMCKFVSA-N", "SMILES:COc1c(C)c(O)c2c(c1C)O[C@H]1COc3c(O)cccc3[C@]1(O)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4846614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOBOGSYOWZBHTE-ZCNNSNEGSA-N", "SMILES:COc1c(C)c(O)c2c(c1C)O[C@H]1[C@H](OC)Oc3c(O)cccc3[C@]1(O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTGITRXQUOAJM-GOSISDBHSA-N", "SMILES:CO[C@@H]1Oc2ccccc2-c2c1oc1cc(O)c(C)c(O)c1c2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4871580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVSXALWTWGTZSP-SCLBCKFNSA-N", "SMILES:COc1cc2c(c(O)c1C)C(=O)[C@@]1(O)c3cccc(O)c3OC[C@@H]1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4878891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKWZTDJXWTOTD-ZCNNSNEGSA-N", "SMILES:COc1cc2c(c(O)c1C)C(=O)[C@@]1(O)c3cccc(OC)c3O[C@@H](OC)[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPWSFMIXMFRGQP-OTWHNJEPSA-N", "SMILES:COc1cc2c(c(O)c1C)C(=O)[C@@]1(O)c3cccc(O)c3O[C@@H](OC)[C@@H]1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4876145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHDBHUCWPTZAAY-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(F)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GICRDZCYPBVRPU-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(Cl)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWHZGSNHJAOQSA-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(Br)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYZUCNJZQJWLQ-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(C(F)(F)F)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPOQITRTBPEMKN-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1ccc(F)c(F)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSVBJHNTUONJL-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1ccc(F)c(Cl)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHJHHQXBZKNEY-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1ccc(F)c(Br)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBEDSQOYJWGCIF-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEWUZHHDVUNJJB-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(-c2ccccc2)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAUUAQHTIVABIS-UHFFFAOYSA-N", "SMILES:O/N=C(/NCc1ccc(F)c(Cl)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQNRKVPDYRAOX-UHFFFAOYSA-N", "SMILES:OCc1cc2cc(/C(=N\\O)Nc3cccc(F)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRLPYGYXYMBEM-UHFFFAOYSA-N", "SMILES:OCc1cc2cc(/C(=N\\O)Nc3cccc(Cl)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNUISYSUSYJZMQ-UHFFFAOYSA-N", "SMILES:OCc1cc2cc(/C(=N\\O)Nc3cccc(Br)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPVCFPPLMUHHOA-UHFFFAOYSA-N", "SMILES:COCc1cc2cc(/C(=N\\O)Nc3cccc(F)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARIVYWUDHOZMW-UHFFFAOYSA-N", "SMILES:COCc1cc2cc(/C(=N\\O)Nc3cccc(Cl)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OITQVRCGHNZYSR-UHFFFAOYSA-N", "SMILES:COCc1cc2cc(/C(=N\\O)Nc3cccc(Br)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIRWAGMXZCVBX-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(F)c1)c1ccc2oc(COCC3CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUOMOOADYVTOOU-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(Cl)c1)c1ccc2oc(COCC3CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFTZTKXWZNZKH-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(Br)c1)c1ccc2oc(COCC3CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXKBOGJJJMJYIU-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(F)c1)c1ccc2oc(-c3ccccc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTLAAKGFIRWCS-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(Cl)c1)c1ccc2oc(-c3ccccc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFDTGXSEXNMRH-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(Br)c1)c1ccc2oc(-c3ccccc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUGGEFAYRSHNJS-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(Cl)c1)c1ccc2oc3ccccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVDBKOTUPEUKQ-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1cccc(Br)c1)c1ccc2oc3ccccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNVMMMBBDDVKN-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1ccc(F)c(Cl)c1)c1ccc2oc3ccccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBWGCHWPGPPSZ-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1ccc(F)c(Br)c1)c1ccc2oc3ccccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYONDXFCQLGNI-UHFFFAOYSA-N", "SMILES:O/N=C(/NCc1cccc(Cl)c1)c1ccc2oc3ccccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACEVBEIBZPXSLZ-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1ccccc1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGLWKAENPSPRB-UHFFFAOYSA-N", "SMILES:O/N=C(/Nc1ccc(Cl)c(F)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWWFMFBYFRGZBA-UHFFFAOYSA-N", "SMILES:O/N=C(/NCc1ccccc1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVFZHXQCCASRO-UHFFFAOYSA-N", "SMILES:O/N=C(/NCc1cccc(Cl)c1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPLCKNAUOFWJNB-UHFFFAOYSA-N", "SMILES:O/N=C(/NCc1cccs1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHVXHXIGDKZIBU-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=S)SSC(=S)N(CC)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLJWNUCDQQRTQ-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(F)cc1)C(=S)SSC(=S)N(CC)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSYKRGUKXLCIKX-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(O)cc1)C(=S)SSC(=S)N(CC)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZHUIHXXAJKBKY-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(C(=O)O)cc1)C(=S)SSC(=S)N(CC)Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZALFVKZEAUNGIY-UHFFFAOYSA-N", "SMILES:CCN(CCC(=O)O)C(=S)SSC(=S)N(CC)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQYXONFXDGOXHY-UHFFFAOYSA-N", "SMILES:CCN(CCO)C(=S)SSC(=S)N(CC)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHYIQROPHIOGQW-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=S)SSC(=S)N(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGAXJQVAHDTGBB-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVYOWPPMNSLCP-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N1CCOCC1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQJHAIQBYFOVSM-UHFFFAOYSA-N", "SMILES:CONC(=O)c1ccccc1Nc1nc(Nc2cc(C)nn2C(C)C)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIDVUEIEWJOCCW-UHFFFAOYSA-N", "SMILES:C=CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1722006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHHZRLAQHAREK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJANPMZSKHVCI-VHXPQNKSSA-N", "SMILES:CN(/N=N\\c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)C(=O)OCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJKUBDGAQQSNP-UHFFFAOYSA-N", "SMILES:O=C(Cn1sccc1=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTHKWFURJCQDD-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(C#CCCc3ccccc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBANDHWBCXOTHA-UHFFFAOYSA-N", "SMILES:CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRMKQFSFTFAZFP-UHFFFAOYSA-N", "SMILES:CN(C(=O)NCCCl)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAQNYFSLRWSRKL-SEYXRHQNSA-N", "SMILES:COc1ccc(-c2coc3cc(OCC(=O)N/C=C\\c4ccc(O)cc4)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREMIVOCKYGPKI-UHFFFAOYSA-N", "SMILES:CCc1ccc(NCC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1988225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOZYNNMWDRRVCG-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(Cl)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTCLLFURTBBXDG-PXLXIMEGSA-N", "SMILES:COc1ccc(/C=C2/SC(NN3Cc4ccccc4N=C3c3ccccc3)=NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCENINCJNPAQOK-CIAFOILYSA-N", "SMILES:O=C1N=C(NN2Cc3ccccc3N=C2c2ccccc2)S/C1=C/c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCILAPTRWINLK-RCCKNPSSSA-N", "SMILES:O=C1N=C(NN2Cc3ccccc3N=C2c2ccccc2)S/C1=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAHYEZLXBIFBQM-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc(-c3ccccc3)c3cc(C(=N)Nc4ccc(N5CCN(C)CC5)cc4)ncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEPZMHADWVBWLT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc(-c3ccccc3)c3cc(C(=N)Nc4ccc(N5CCN(C)CC5)cc4)nc(Nc4cc(OC)c(OC)c(OC)c4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJTACCJBYUDJNG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc(-c3ccccc3)c3cc(C(=N)Nc4ccc(N5CCN(C)CC5)cc4)nc(N4CCOCC4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFAMZDCMAOQHJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=N)c3cc4c(-c5ccccc5)n[nH]c4c(NC4CCCCC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTCGSQAPQFGRFN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccccc3F)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJSAELKPJUYPS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGEZYKMFZKOKEE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVAYKAJQVXVGDW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3Br)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLVDFXBRNAXVPD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3cccnc3)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXPSTVOITSCPEE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQTXOROXWBJLO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccncc3)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEDAPOSTGIZCGZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3cccnc3Cl)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIBYSRKPBUAFOT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cn3)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLERGQAHNHUKEC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQTZFJBLMJIQJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVYVLVHUULPRPV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCMZLHGJBCEEK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccc(I)cc3)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVZMLJBPGHDGJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccccn3)nc3c(I)cc(I)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIYMCOFAFOAVAG-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(=O)n(-c4ccc(F)cc4)cnc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRFQNJODLDOZMY-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(=O)n(-c4ccccc4)cnc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTCDPFLKFXVBQ-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(=O)n(-c4ccc(Br)cc4)cnc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL281938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UARYNWRIVAFKLK-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(SCc4ccc(Cl)cc4)ncnc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBHQTSQEGGBNP-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZUWJYUNVYLNRP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWFEAJHECLLKW-XVNBXDOJSA-N", "SMILES:C/C=C/C(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWWMBNAWWQPHX-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPIKDZIPXYQFX-UHFFFAOYSA-N", "SMILES:C#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOBIILTMFXGDH-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)CC#N)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAJSBSYHFRGQK-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)CCl)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIIGWASKNCUTH-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)CCCl)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWQJJLPCHVLEMR-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)c3cscn3)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKKRMWUTVZBSM-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBKSCJRHIWDNRL-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)c3ccno3)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCQNATXJTWYQFK-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSCZTGZMCBGOO-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGRLEBDKWGUCPT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWJSMHIRACYGDQ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGYLJZZLVLATJ-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSAOOHPSIAXBEN-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPXNFAPAPOAHQD-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc(NCc2cccc(B(O)O)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDZSZHZXSZVVFH-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc(NCc2cccc(B(O)O)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVRHKUAWBZEPT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc(NCc2cccc(B(O)O)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRSPBRRXFQQUQG-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cccc2c1cc(C)n2-c1ncc(OC)c(NCc2cccc(B(O)O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWKWOWJJWMGZJN-UHFFFAOYSA-N", "SMILES:COc1cnc(-n2c(C)cc3c(NC(=O)c4ccco4)cccc32)nc1NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVZWGFKJDAQNI-MFOYZWKCSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccccc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXVXMWJOHZMDDT-ZDLGFXPLSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccc(C)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXXUZBDXCWVDIB-ZDLGFXPLSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1cccc(C)c1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROMZBPLFSUOSKG-ZDLGFXPLSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccc(OC)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXWCYACVBRUFQF-MFOYZWKCSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccccc1[N+](=O)[O-])C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMIFBYVUUFRPR-NVMNQCDNSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccc(F)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STBKQHPFABRPSI-NVMNQCDNSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccc(Br)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZFNOGDHVUHHHQ-JAIQZWGSSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccccc1C(=O)OCC)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWFUHGNXIZJAQZ-JAIQZWGSSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccc(C(=O)OCC)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZILGNFFPBJFT-PXNMLYILSA-N", "SMILES:COC(=O)/C(=N\\Nc1ccccc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBTOVOOOKUVTED-MFOYZWKCSA-N", "SMILES:COC(=O)/C(=N\\Nc1ccc(C)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGLPFRXIRIXZEU-MFOYZWKCSA-N", "SMILES:COC(=O)/C(=N\\Nc1ccc(OC)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOBCFWHYVFQICX-PXNMLYILSA-N", "SMILES:COC(=O)/C(=N\\Nc1ccccc1[N+](=O)[O-])C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFMOENKRGSXCW-YVLHZVERSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccc(C)cc1)C(=O)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFBFPFLWIUKFPJ-SXGWCWSVSA-N", "SMILES:COC(=O)/C(=N\\Nc1ccc(C)cc1)C(=O)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKMKVCVTLAKWRB-FBHDLOMBSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccc(C)cc1)C(=O)C(F)(F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTTPEKAPMACWEK-VROXFSQNSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccc(C)cc1)C(=O)C(F)(F)C(F)(F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHRHACRFXNFJBN-AQHIEDMUSA-N", "SMILES:COC(=O)/C(=N\\Nc1ccc(OC)cc1)C(=O)C(F)(F)C(F)(F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDKYZBINGSANPW-NCAUGAEKSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccc(C)cc1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBUCFKFMKQZKZ-LICLKQGHSA-N", "SMILES:CC(=O)/C(=N\\Nc1ccc(C)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWOPDTUTHFESCV-HYARGMPZSA-N", "SMILES:Cc1ccc(N/N=C(\\C(=O)c2ccccc2)C(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHSVUSZEHNVFKW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccc([N+](=O)[O-])cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4850659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXFRVTNEKMZFOT-AJQTZOPKSA-N", "SMILES:O[C@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXFRVTNEKMZFOT-ACHIHNKUSA-N", "SMILES:O[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKIXHOZZKOEROH-CONSDPRKSA-N", "SMILES:COc1ccccc1CNC[C@H](O)[C@H](Cc1ccccc1)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGHKFGWGQMDYBE-ACHIHNKUSA-N", "SMILES:COc1ccccc1CNC[C@H](O)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFISKNVBVFICL-JHOUSYSJSA-N", "SMILES:COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NCCC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNDRGCONGZDSY-OIDHKYIRSA-N", "SMILES:CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NCCC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHDKWGFXGVKNA-FWGANANOSA-N", "SMILES:C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NCC(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNVCFZXHNFZPFJ-FRJUPVQCSA-N", "SMILES:C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRWHSIODNCCFP-JHOUSYSJSA-N", "SMILES:CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNIUHYMGHIOXSX-NSOVKSMOSA-N", "SMILES:CC(C)(C)NC[C@H](O)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNVIHJDBGWNKO-WUFINQPMSA-N", "SMILES:CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQXSWBHQDKMDY-IOWSJCHKSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQXSWBHQDKMDY-CONSDPRKSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFKVBXMVYFICG-VMPREFPWSA-N", "SMILES:COc1ccccc1CNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKVMEHUXJOESF-CONSDPRKSA-N", "SMILES:COc1ccccc1CNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPHOEEHPKILQIL-XZWHSSHBSA-N", "SMILES:COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDNMOSILVHRALK-AJQTZOPKSA-N", "SMILES:COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDZZTBAHBJUANF-AJQTZOPKSA-N", "SMILES:CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEWDEIZUNAQJFJ-SZAHLOSFSA-N", "SMILES:CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNOQIIIKZZGMK-AJQTZOPKSA-N", "SMILES:CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSNRTXIQLFBFDM-SZAHLOSFSA-N", "SMILES:CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQPYDZXCIAJBEU-CONSDPRKSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHITZUYLBWQEI-ACHIHNKUSA-N", "SMILES:CC(C)(C)c1ccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFPMBCRUQDCQZ-SZAHLOSFSA-N", "SMILES:CC(C)(C)c1ccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTURKHMGUMVBB-QZFRTWIZSA-N", "SMILES:C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYDUFRCQFUAHA-FWGANANOSA-N", "SMILES:C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRJJPYJFQRSKD-XZWHSSHBSA-N", "SMILES:CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUGJCZXQWVGSMN-AJQTZOPKSA-N", "SMILES:CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQUKLIKVDVYRH-DQEYMECFSA-N", "SMILES:CC(C)(C)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBWEMNNOSYAIQ-SVBPBHIXSA-N", "SMILES:CC(C)(C)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGKQSSMGZUXLMP-IZZNHLLZSA-N", "SMILES:CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJSMSLHNIPOJS-XZOQPEGZSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)F)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APSOZNFQRYVVSK-LOSJGSFVSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMUIRBSTBAFID-IZZNHLLZSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CC1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHPSIAGJOGIQE-WUFINQPMSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHQZFYDXFWGDL-IOWSJCHKSA-N", "SMILES:O[C@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEVPSMYJQDNACG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(CNCC(O)CNCCC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXGHCUDNWBFEE-URLMMPGGSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXGHCUDNWBFEE-VMPREFPWSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1ccccc1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNOQIIIKZZGMK-ACHIHNKUSA-N", "SMILES:CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVGSEUZKRHWEAC-VMPREFPWSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANNGDRKIZUKLFR-WUFINQPMSA-N", "SMILES:CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNLUGOUUDNQOGZ-AVDOZPHPSA-N", "SMILES:COc1ccc(C(/C=C/CN2CCC[C@H](C(=O)O)C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWYVAQALRXUNR-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2nc(N)cc(O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYQNKGYEGYQCS-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nc(N)cc(O)n2)ccc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWITVQPZZHUROM-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nc(N)cc(O)n2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVPMYDVRRWOSM-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2nccc(O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFSSELLAMCCRHG-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(O)n2)ccc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKUBQRZGLBZIU-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(O)n2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYCHAUHQDFWSB-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2nccc(N)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFHLPHGKYKMOR-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(N)n2)ccc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGJCLFWCLLYMJ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(N)n2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMWTTABXXQZMY-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2ncccn2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDXWILWBYCZJE-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncccn2)ccc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFZMQAMDSLPRK-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncccn2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADVUPIZMCWEGTD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nccc(O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAXCQAYVHJLPB-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2nccc(O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSXBBDBRBQAMBB-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1ccc(-c2nccc(O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEZIMWFUXIDHP-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(O)n2)ccc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIVKPRRHNHSJA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(O)n2)ccc1OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFKKKULBYCVOFM-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(O)n2)ccc1OCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMWITRJCAIUER-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(O)n2)ccc1OCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRQVKBGOCGKHI-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(O)n2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMZVKOPEQXMIFF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(O)n2)ccc1OCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYAITYWZXMKLOA-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(-c3nccc(O)n3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQWGSQJHHMOOCK-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc(-c3nccc(O)n3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBFRCJBEHLILL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(COc2ccc(-c3nccc(O)n3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYJRGCFENQWPT-UHFFFAOYSA-N", "SMILES:CC(C)=COc1ccc(-c2nccc(O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZCGAQJBVPAAHR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C(=O)Nc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)nn2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBKVMFUQMWCFAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cn(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)nn2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMFTGUIBAOTJG-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(CNc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)nn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFJDIPRFJANKK-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107024", "category": ["biolink:ChemicalEntity"], "name": "REVOSPIRONE", "xref": ["InChIKey:MPLTZRTXQLNGED-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(c2ncccn2)CC1"], "synonym": ["Revospirone", "Revospirona"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNRVMJMTPNWFK-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8412", "category": ["biolink:ChemicalEntity"], "name": "IPSAPIRONE", "xref": ["InChIKey:TZJUVVIWVWFLCD-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1"], "synonym": ["Ipsapirone", "Ipsapirone", "Ipsapirona"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZRPGFDKODUGU-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUHWYWVRNFHIJL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCCCN1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSKPWNVXNIOTO-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMAXOHFSLDEFP-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEJBGVBMBXWMN-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCCOYAFKWXCDAP-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXYMLHRXRRYXSJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZGJPKDNJJWLR-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRCZJVPFEIPMMN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZAMKBRYPAAWFZ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPGZZLLXVCXVNM-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCn3c(=O)oc4ccccc4c3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWQPVHXTQFWYAT-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCn3c(=O)oc4ccccc4c3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNLJISMEJTXPEC-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCCn3c(=O)oc4ccccc4c3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCYAVVIQVLNLSK-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCCCn3c(=O)oc4ccccc4c3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCMKRYXCALKDKH-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(=O)n1CCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRXUWHEFKNYAY-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(=O)n1CCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2234891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYSZRHPWEGFDML-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCOc3ccccc3C(N)=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCICZYJUARQNOS-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCOc3ccccc3C(N)=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGOQHNGCLLVLY-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCOc3ccccc3C(N)=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUYJHGWKESEOLR-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCCOc3ccccc3C(N)=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLXOXCSZYSTOHF-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCCCOc3ccccc3C(N)=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2234893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBSHKERFECNDBW-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1OCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZZWTXIQHYXBKT-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDLOPRPXCUEGCT-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAQUEQYOKSKIDA-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWQZSXGTDPICOA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYTLTUFDQVHRLU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSJAUBPARAVPRJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQNLFJFAOQCKC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJMHKVAICPWFEV-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOADXZOXJDNMTH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOQFKJMAIDYBY-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(Cc2ccc(CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKDFHUUMWFASM-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCCCN1CCN(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJDLKOOXINDASG-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL394110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWQROZICHMTHNN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKRAVIJSVJVBT-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMIUZKMFRCDUKI-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMFVZNBGMTGHQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRKNLMXQUPJNQM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQDMYVWEJAYQM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSLZMAUZIBWOG-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBVZNKZPACUDP-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHJKUBXNSBFZJV-OEAKJJBVSA-N", "SMILES:C/C(=N\\O)c1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXJSYQWAMWAEEN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2c3ccccc3[S+]([O-])c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLOBRPTWNLUDP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2c3ccccc3[S+]([O-])c3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWCDRMPNYBCEJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)c1ccccc1[S+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZDPJSQRIMLOB-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)c1ccccc1[S+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPGFFUPJVVYKGI-FMIVXFBMSA-N", "SMILES:NC(=O)c1ccc2c(c1)N(Cc1ccc(/C=C/C(=O)NO)cc1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIGDWHNBRJVSHI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(=O)Nc4ccccn4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDGSWCNMNJYQEI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NO)cc2)c2ccccc2S3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBHQQMTDZNJTA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(=O)Nc4ccc(Br)cn4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKMZJKFJHZVYQT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2c3ccccc3Sc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSSVOKSELRTJW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2c3ccccc3[S+]([O-])c3ccc(C(F)(F)F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCKKWDXFXMBWJL-OEAKJJBVSA-N", "SMILES:C/C(=N\\O)c1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)c1ccccc1[S+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNQLYZTLIIXAP-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)c1ccccc1[S+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCVGRSPKTHQNCR-UHFFFAOYSA-N", "SMILES:NCCOc1ncccc1C=C1c2ccccc2-c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTOZJZIPPUYHT-XDHOZWIPSA-N", "SMILES:NCCOc1ncccc1/C=C1\\c2ccccc2-c2ccc([N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYKRJBXACUOOB-WOJGMQOQSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccccc1O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRYMUWOQWWUMKP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYVZNFVFXDNTJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAVHJDVINYPAH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSSMJXTQUVHEA-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(NCc3cccc(NC(=O)CCl)c3)n3ccnc3c2C(N)=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCWIYSPZMLFVNP-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(Nc2ccc(N3CCOCC3)cc2)nc(NCc2cccc(NC(=O)CCl)c2)n2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AACCPTJPXREQGW-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(NCc3cccc(NC(=O)CCl)c3)n3ccnc3c2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXZIYDVVANEHDA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(NCc4cccc(NC(=O)CCl)c4)n4ccnc4c3C(N)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVPQZFISLTMHZ-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2ccc(Nc3nc(NCc4cccc(NC(=O)CCl)c4)n4ccnc4c3C(N)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGTSGBMUOHKCQF-SQBWXGGLSA-N", "SMILES:CC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O"]}
{"name": "E3 ubiquitin-protein ligase CBL-B", "xref": ["CHEMBL.TARGET:CHEMBL4879459"], "id": "UniProtKB:Q13191", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAMZBZTAXISDG-XZLRCCORSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQPYKTVALPLKV-INJMXHEASA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANOFYFCGTYFSE-DWKCJSFCSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGTCZSDCIRPYTF-DEKCZCQOSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBGFSMMTXHUZPP-MCGLDJKNSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATKCWDBPFGAUSS-YVGHTPAKSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUIAPHMMZAIPAS-JKILKGSJSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBEMHLFJQQTJII-FLRWUIOGSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHALTRUUKGOSOZ-DOCZMJICSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCPLCFWOFKDILP-KZEFWJKESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFKQURQDTYOOOY-INJMXHEASA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLFXFFLLLWVJGK-KREBNATDSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUZFVHFRTYKJO-ZQAYLKFXSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSOZULIDLCMSHV-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1c(-c2ccc(OC)cc2)oc2c1C(=O)c1cccnc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYRVGTJYLSZODF-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1c(-c2ccccc2Cl)oc2c1C(=O)c1cccnc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXAFRBSJGTAFK-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)CCl)CC4)cn3)nc2n(C2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQURXFEXBORQH-JLHYYAGUSA-N", "SMILES:C=CC(=O)Oc1ccc(/C=C/C(=O)c2c(OC)cc3c(c2OC(=O)C=C)CCC(C)(C)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPKYDRPRCWVOV-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nnc(-c3ccccc3)o1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFQVYVRUDUFMR-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1ncc(-c3ccccc3)o1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNBFCDYZZYUAJ-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1CN1C(=O)N(C)c2ccc(-c3c(C)noc3C)cc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJVYXVQCPKSNM-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nnc(-c3ccccc3)s1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUGNXOWLIRTAID-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc(-c3ccccc3)cs1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCLVSXLIRANMK-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(F)cc2)sc1CN1C(=O)N(C)c2ccc(-c3c(C)noc3C)cc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYSTNZHWQSUBZ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc(-c3ccc(F)cc3)cs1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSGAGVAHHBISN-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1csc(-c3ccccc3)n1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMKMRMTTPGELI-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1csc(-c3ccc(F)cc3)n1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGWIQRXWGIQHAM-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nnc(-c3ccc(F)cc3)o1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBTAUJYONSHPKW-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCBr)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSRZMVAOXBGCE-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCN1CCN(c3ccc4nnc(Cl)n4n3)CC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYVLSIXATRJWCF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCN1CCN(c3ccc4nnc(Cl)n4n3)CC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGHOCUDYGTWGDH-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCCN1CCN(c3ccc4nnc(Cl)n4n3)CC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFWOMXNUZLHZFJ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCOCCN1CCN(c3ccc4nnc(Cl)n4n3)CC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEJUDUVAMTNLW-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N1CCN(c3ccc4nnc(Cl)n4n3)CC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQCGNOHPPJQTF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCC(=O)N1CCN(c3ccc4nnc(Cl)n4n3)CC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZRJIXXLXBHAQL-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCCCC(=O)N1CCN(c3ccc4nnc(Cl)n4n3)CC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNLZNQJBZNOUBM-UHFFFAOYSA-N", "SMILES:CN(C(=S)NN=C(c1ccccn1)c1ccccn1)C1CCCCC1"]}
{"name": "Metallo-beta-lactamase", "synonym": ["Metallo-beta-lactamase VIM-2"], "xref": ["CHEMBL.TARGET:CHEMBL1255147"], "id": "UniProtKB:Q5U7L7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCNFAAGMHFEFCF-UHFFFAOYSA-N", "SMILES:Cc1nc(Sc2ncccc2C(=O)O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTESPVHSEOQRTH-YWBBTBBSSA-N", "SMILES:COC(=O)c1c(NC(=O)C2C(C(=O)O)[C@@H]3C=C[C@H]2CC3)sc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZZCJTKSBJBDLI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(SCC(=O)O)nnc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAIPCBCVUVMNDE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(Br)c1)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSROYXRSWQPVAZ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCBNUFQESUKTQZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(O)cc1)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTAIWMXXDMYIBI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(O)cc1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQXJPTUVKWNHW-UHFFFAOYSA-N", "SMILES:CC(NC(=O)Nc1cccc(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXJJFNLWQDWLH-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)N(C)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVHPHLTTQGVQO-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRIXQNDLAOFTDH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)Nc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATQSLFOVLSQNJQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLXUISPGDVAOZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVHOELHMCDQTOF-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLTLJKKJRZOFKS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHKNWYUFVQRAQC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUMGJBNOKTDHT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc3ccccc3cn2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXKHFMUCKANQF-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2[nH]1)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDXPNGZNMGCUFM-WOJGMQOQSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)c(Br)c1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPXQTGZIJEDMB-YBFXNURJSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)c(Br)c1)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJWWNFLIZMMBDP-RQZCQDPDSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(Br)c1)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMZKUHNGAMGAI-VCHYOVAHSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(Br)c1)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STVXIKXUUQIYOZ-SSDVNMTOSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)c(Br)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYITHLNUMPJQW-WOJGMQOQSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)c(Br)c1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGPFOSIOSCQSCH-SSDVNMTOSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)c(I)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVILTHUBVNNBDQ-RQZCQDPDSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(F)c1)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWTMLEDJYRASBF-YBFXNURJSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)c(I)c1)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMYMNMDIVSOOGQ-VCHYOVAHSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(I)c1)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDMIWFWWCWIGQ-YBFXNURJSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)c(F)c1)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHBXWJLALBTRHB-VCHYOVAHSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(Br)c1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXAZDGICZEZJN-VCHYOVAHSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(I)c1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRFBBDNAKXYMC-WOJGMQOQSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)c(I)c1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUKWWAUZUXEEMR-LICLKQGHSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(I)c1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRXNBGJOPBSEK-XNTDXEJSSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(Br)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWSZBXQIJCWLKJ-LFIBNONCSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)c(I)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYKYSXRFPSYRG-XNTDXEJSSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(F)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIGAGUMCFQMIEP-FSJBWODESA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(Br)c1)c1ccc(C(=O)Nc2cc[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLZHWYVXKKRCN-UXHLAJHPSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)c(F)c1)c1ccc(C(=O)Nc2cc(N3CCOCC3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKXYVQAGCSCTB-CCVNUDIWSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(F)c1)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVTYZNOYIDUSP-CCVNUDIWSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(Br)c1)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVAPHZUWGJXYJI-STBIYBPSSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(Br)c1)c1ccc(C(=O)Nc2cc(N3CCOCC3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUZDOVAGVFERA-HYARGMPZSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(Br)c1)c1ccc(C(=O)NN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180920", "category": ["biolink:ChemicalEntity"], "name": "MAGNOLOL", "xref": ["InChIKey:VVOAZFWZEDHOOU-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4868842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHBYBJHKRRZTKQ-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2cc(C3=CCNCC3)c3cn[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMBPQSGMKYPTCK-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2cc(O)c(O)c3ncccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFRFQJZUGDKYEX-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2ccnc3c2C(c2ccc4c(c2)OCO4)NN3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUQFDLUXEKFHHN-UHFFFAOYSA-N", "SMILES:O=c1[nH][nH]c2ccc(NCCCc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDHZLHLPPIORND-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1cc(NCCCc1ccccc1)cc2-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHNLXIYCCPNNP-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1cc(NCCCN1CCOCC1)cc2-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCTOWHCSWLLKJT-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1cc(NCCCc1ccccc1)cc2-c1cc(O)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONALQHDEVLMEU-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1cccc2-c1cc(O)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSVQHWXGCOMKOM-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1cc(-c1cccc(F)c1)cc2-c1cc(O)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAEUCSXHOVTVLK-GASCZTMLSA-N", "SMILES:C[C@@H]1CN(c2cc(-c3cc4c(c(-c5cc(O)cc(F)c5)c3)CNC4=O)ccn2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVHPSVLYBRGURZ-BETUJISGSA-N", "SMILES:C[C@@H]1CN(Cc2nnc(-c3cc4c(c(-c5cc(O)cc(F)c5)c3)CNC4=O)o2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBKHOUNJOWNSP-GOSISDBHSA-N", "SMILES:O=C1NCc2c1cc(O[C@@H]1CCN(C(=O)C3CCOCC3)C1)cc2-c1cc(O)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLLPPOWVPMPBA-MRXNPFEDSA-N", "SMILES:O=C1NCc2c1cc(O[C@@H]1CCN(C(=O)C3CC(F)(F)C3)C1)cc2-c1cc(O)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRCIAHNRHKJOD-MRXNPFEDSA-N", "SMILES:O=C1NCc2c1cc(O[C@@H]1CCN(C(=O)C3CC3)C1)cc2-c1cc(O)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBWXYWNAKKEBAS-OAHLLOKOSA-N", "SMILES:COc1ccc(-c2cc(O[C@@H]3CCN(C(=O)C4CC4)C3)cc3c2CNC3=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQCBXUPPFCPUGJ-OAHLLOKOSA-N", "SMILES:O=C1NCc2c1cc(O[C@@H]1CCN(C(=O)C3CC3)C1)cc2-c1cncc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYTNVFFEEZRLCW-CYBMUJFWSA-N", "SMILES:O=C1NCc2c1cc(O[C@@H]1CCN(C(=O)C3CC3)C1)cc2-c1cnc(F)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDMGPWQXMKGKI-MRXNPFEDSA-N", "SMILES:Cc1ncc(-c2cc(O[C@@H]3CCN(C(=O)C4CC4)C3)cc3c2CNC3=O)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJISQLYNRBQOQM-OAHLLOKOSA-N", "SMILES:COc1ncc(-c2cc(O[C@@H]3CCN(C(=O)C4CC4)C3)cc3c2CNC3=O)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOCQLYDPBHECTQ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cccc3c2CNC3=O)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHCUKKXTPLKDBV-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(-c3cnc(OC)c(NS(C)(=O)=O)c3)c1)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFCBLYFJHKVRC-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OC(C)C)cc3c2CNC3=O)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONHIABGWPLHCC-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(c(-c3cnc(OC)c(NS(C)(=O)=O)c3)c1)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWANCNKCKJBND-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OC3CCC3)cc3c2CNC3=O)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFDKZYZRKXVQA-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCC3CCC3)cc3c2CNC3=O)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYGOQAOTLYDFSH-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OC3CN(C(=O)C4CC4)C3)cc3c2CNC3=O)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDUBTDCHDNVCB-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(-c2cc3c(c(-c4cnc(OC)c(NS(C)(=O)=O)c4)c2)CNC3=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTLBFTXHIOZUGF-IYBDPMFKSA-N", "SMILES:COc1ncc(-c2cc(-c3ccnc(N4C[C@@H](C)O[C@@H](C)C4)c3)cc3c2CNC3=O)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UORJFXLAGZOGLO-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3cc(OC4CN(C(=O)C5CC5)C4)cc4c3CNC4=O)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FINYJBKNQPFHGK-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1cc(OC1CN(C(=O)C3CC3)C1)cc2-c1cnc(Cl)c(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFXCLLKADVPARO-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc(OC3CN(C(=O)C4CC4)C3)cc3c2CNC3=O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVMDESIGBTXJLO-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1cc(OC1CN(C(=O)C3CC3)C1)cc2-c1ccc(OC(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGAVHGSHPSSNBN-ZRKZCGFPSA-N", "SMILES:CNc1ncc(-c2cc(OC3CN(C(=O)C4C[C@H]4C)C3)cc3c2CNC3=O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSXBMNQDSXKCC-GASCZTMLSA-N", "SMILES:Cc1ncc(-c2cc(-c3ccnc(N4C[C@@H](C)O[C@@H](C)C4)c3)cc3c2CNC3=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEKPHKAKSEOBN-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GANNYMMAAKHCOD-MHZLTWQESA-N", "SMILES:O=C(O)CN(Cc1ccc(Cl)cc1)C(=O)c1cnc(N2CCC[C@H]2COc2ccc(Cl)cc2)nc1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEIXDDXVGHRVPE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1cccc(C(=O)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBULBIKBMYSAI-YSCXQKKWSA-N", "SMILES:COc1cccc2c1O[C@@](C)(CCC(=O)O)[C@@H]1CC[C@@H](CCCN)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUSEMHIKWRSIP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1CN1CCc2cc(O)c(O)cc2C1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZJYIKPMDIWRSN-TZBSWOFLSA-N", "SMILES:CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOUQSMHLCSGTJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1ccc(I)c(OC)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYKMFGDLZDHDBQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccccc1CNC(=O)c1cccc(C#N)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLAAZMXUBMWYHD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1ccccc1CNC(=O)c1ccc(C#N)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNTSSZPPKDLPCK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1ccc3ccccc3c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYKVNCJQXICKY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1ccccc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUIOVNIFLIHLU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1ccccc1Br)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKBLQXOBPRBPQT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1ccccc1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIHVEIRASRGEQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYAUUWJPEUPHAT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1cccc(Br)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGCDJHEAXDUFX-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCc2ccccc2CN2CCc3cc(OC)c(O)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFLGSSQRQNMLNA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1cccc(C#N)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMHQSKUJOYRTHB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1ccc(F)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVQEUAFPSVVKQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCLRRDSRKSMPGP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1ccc(Br)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSWCCACWBNPPO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1ccc(I)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRPJFYRWJVNBL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCc2ccccc2CN2CCc3cc(OC)c(O)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMYCJFCNUVBNZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1ccc(C#N)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTNOCTARMCCZMF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1cccc(Cl)c1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUNDYWPHKJEIH-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)NCc2ccccc2CN2CCc3cc(O)c(O)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEYMQXWYAIZBBS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)NCc2ccccc2CN2CCc3cc(O)c(O)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20734", "category": ["biolink:ChemicalEntity"], "name": "NEMONAPRIDE", "xref": ["InChIKey:KRVOJOCLBAAKSJ-UHFFFAOYSA-N", "SMILES:CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2C)cc1Cl"], "synonym": ["Nemonapride", "Nemonaprida", "Emilace"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFGEEWUHSNXQC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(Cc1ccccc1CNC(=O)c1cccc(OC)c1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYNHWPKQAKANT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSUKYVKWAEWJF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc(C#N)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTVOHWWEQGXLS-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1"], "synonym": ["SK&F-83566", "SK-83566"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4864574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXSOZSUEQSWNOW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCc3cc(NC(=O)NCc4ccncc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVLWXZHPKLANI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2ccc3cc(NC(=O)NCc4ccncc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFIKAUZHKZNKKY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc2[nH]c(-c3ccccc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLJIYWRYCVCRRS-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc2cn(-c3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMKSDQHMLGONZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc2cc(-c3ccccc3)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTXQIRQRHQHIV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc2nc(-c3ccccc3)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKEHMXIMPNOSOP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn[nH]c1)Nc1ccc2nc(-c3ccccc3)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOJSEEQACFUHKS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cnco1)Nc1ccc2nc(-c3ccccc3)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKTNDWRBZJVOMA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc2nc(-c3ccccc3OC(F)(F)F)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUMPVOTKJTXOL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc2nc(-c3cccc(OC(F)(F)F)c3)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOGUFUOLKWHWAF-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2ccc(NC(=O)NCc3ccncc3)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZDOXDTUBLIBA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(c2nc3ccc(NC(=O)NCc4ccncc4)cn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLUHZYRQDQENZ-UHFFFAOYSA-N", "SMILES:Cn1cccc1-c1nc2ccc(NC(=O)NCc3ccncc3)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYQZNNIBQKDEI-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1nc2ccc(NC(=O)NCc3ccncc3)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZWENYLVDKOTG-UHFFFAOYSA-N", "SMILES:CC(C)n1nccc1-c1nc2ccc(NC(=O)NCc3ccncc3)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDVBQNXXVMKQMB-UHFFFAOYSA-N", "SMILES:COCCn1nccc1-c1nc2ccc(NC(=O)NCc3ccncc3)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCZYDSXTWKZGE-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCCC2C(=O)Nc2ccccc2Oc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXOLQGUPBUNOAD-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCc3cc(NC(=O)NCc4ccncc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMHBRNOZSGMHT-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc2nc(-c3ccc(OC(F)(F)F)cc3)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXRVPXTPLLABL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCc3cc(NC(=O)NCc4cccnc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKFOTLXPIIESQI-GVXSCFBNSA-N", "SMILES:CC(C)C[C@@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZIIFGMGKICFJK-FZPFXXBJSA-N", "SMILES:CC(C)C[C@H](CP(=O)(O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWLYILUODIZPOK-ZSQFBXSQSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(=O)(O)[C@@H](N)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMSYWTFGLFSMBY-IEZKXTBUSA-N", "SMILES:CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZADYKQLFNISTG-RCZVLFRGSA-N", "SMILES:CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAHAWKTBLWERX-OEMINAGZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRKEKAPUOUFHT-KHGZNQCXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDHYNXMVQSJAN-LNMZZBCJSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDUUNAFQFQHONF-XHSRQBJYSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGNDBQQVAVZVIN-RKIMLIALSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFIDULYQQMVRGK-ZMOGYAJESA-N", "SMILES:CC(C)Oc1ccc2nc(O)c(/C=N/n3c(=S)[nH]nc(Cc4ccccc4)c3=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLFFORRWAKCPP-WSDLNYQXSA-N", "SMILES:Cc1ccc2nc(O)c(/C=N/n3c(=S)[nH]nc(Cc4ccccc4)c3=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVJQOGNFLNQVIF-WSDLNYQXSA-N", "SMILES:COc1ccc2cc(/C=N/n3c(=S)[nH]nc(Cc4ccccc4)c3=O)c(O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGLWEROZDOLMJL-CIAFOILYSA-N", "SMILES:O=c1c(Cc2ccccc2)n[nH]c(=S)n1/N=C/c1cc2ccccc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFBHDLSZNZFIU-LQKURTRISA-N", "SMILES:O=c1c(Cc2ccccc2)n[nH]c(=S)n1/N=C/c1cc2cc(OCc3ccccc3)ccc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUADLYXYPZRIQS-WSDLNYQXSA-N", "SMILES:COc1ccc2nc(O)c(/C=N/n3c(=S)[nH]nc(Cc4ccccc4)c3=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFAWAYVKXZMWDT-KPGMTVGESA-N", "SMILES:COc1cc(Cc2n[nH]c(=S)n(/N=C/c3cc4ccc(OCc5ccccc5)cc4nc3Cl)c2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMIAAAJLONULO-RPPGKUMJSA-N", "SMILES:COc1cc(Cc2n[nH]c(=S)n(/N=C/c3cc4cccc(C)c4nc3Cl)c2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGXAWLKMJLULX-BRJLIKDPSA-N", "SMILES:COc1cc(Cc2n[nH]c(=S)n(/N=C/c3cc4cc(C)ccc4nc3O)c2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRXUTRCJAKQRSC-BRJLIKDPSA-N", "SMILES:COc1ccc2cc(/C=N/n3c(=S)[nH]nc(Cc4cc(OC)c(OC)c(OC)c4)c3=O)c(O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOGLCIMBIYSRMX-BRJLIKDPSA-N", "SMILES:COc1ccc2nc(O)c(/C=N/n3c(=S)[nH]nc(Cc4cc(OC)c(OC)c(OC)c4)c3=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOCOTZWDNVJRIG-FOKLQQMPSA-N", "SMILES:COc1cc(Cc2n[nH]c(=S)n(/N=C/c3cc4cc(C)ccc4nc3O)c2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYFANKHPVYYMS-KEBDBYFISA-N", "SMILES:Cc1ccc2nc(O)c(/C=N/n3c(=S)[nH]nc(Cc4cccs4)c3=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZHBWHAUZPJJG-VXLYETTFSA-N", "SMILES:O=c1c(Cc2cccs2)n[nH]c(=S)n1/N=C/c1cc2ccccc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOZTMZCUWJXDR-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(-c4ccccc4)nc3=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNAKUNINWOCARC-ZHZULCJRSA-N", "SMILES:COc1ccc(/C=C2\\N=C(c3cccnc3)N(c3ccccc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVONGPCPSSFAEL-CVKSISIWSA-N", "SMILES:COc1ccc(C2=C(c3ccc(OC)cc3)NNC(N/N=C/c3ccc(F)cc3)=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOGPQHEKLDSBU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(OC)cc23)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQQBZKRPJGBIPD-OPEKNORGSA-N", "SMILES:COc1ccc2ccc(F)c(CC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYYHSDNSPVFDS-BBTNWVSFSA-N", "SMILES:COc1ccc(-c2cc(-c3nnc(SC/C(=N/O)c4ccccc4)n3-c3ccccc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTIFXRVYZVJPBY-KRXBUXKQSA-N", "SMILES:COc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2/C=C/c2cc(C(=O)N3CCOCC3)c3cc(Cl)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGWGMHMKRQONI-WQLSENKSSA-N", "SMILES:COc1ccc(/C=C\\C(=O)c2cc(-n3cc(CN4C(=O)C(=O)c5ccccc54)nn3)ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCHANOVJYXIAL-UVTDQMKNSA-N", "SMILES:O=C1N/C(=N\\c2nnc(-c3ccc(O)cc3)s2)S/C1=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEOZOHBIPDTTJ-QOMWVZHYSA-N", "SMILES:O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\\Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRKRECSIYXARE-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cc1ccccc1[N+](=O)[O-])=NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSOPWPRPNOFCQ-NQOISIGVSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)Cc1sc(N/N=C(\\Cc2ccccc2[N+](=O)[O-])C(=O)O)nc1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRKRECSIYXARE-HYARGMPZSA-N", "SMILES:O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGIBNEVPRVRVCR-VQWGYEAZSA-N", "SMILES:C/C(=N\\Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C(=O)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKAWUHTUGAXQR-VKWCIQKDSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCNC(=O)/C(=N\\Nc4nc(-c5ccc(-c6ccccc6)cc5)cs4)c4ccccc4[N+](=O)[O-])c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUHYRQKOYDLKET-OLUOZRNISA-N", "SMILES:C/C(=N\\Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(=O)NCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)s1)C(=O)OCOC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJNFMRIVNCEFF-OEPDXVHDSA-N", "SMILES:C/C(=N\\Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C(=O)NCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDBJJPCFZVVCER-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCC(c2ccccc2)N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZYJLCFNWACNAT-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(SCc3cn(-c4ccccc4)nn3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBAASMSGXDRSQM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)c(OCc2cn(-c3ccccc3C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACLJRXSFAUWMGJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)c(OCc2cn(-c3cccc(C(=O)O)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXFTZYHPZIKSW-ADLZZSLISA-N", "SMILES:O=C(C[C@@H](O)CCc1ccc(O)c(O)c1)O[C@@H]1Cc2c(O)cc(O)cc2C[C@@H]1c1ccc(O)c(O)c1"]}
{"name": "Methylcytosine dioxygenase TET3", "xref": ["CHEMBL.TARGET:CHEMBL4879414"], "id": "UniProtKB:O43151", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXBTNAVRSUOJR-GSVOUGTGSA-N", "SMILES:O=C(O)CC[C@@H](O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4870693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXBTNAVRSUOJR-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4851104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBQCRUWROCTOK-UHFFFAOYSA-N", "SMILES:C=C(CC(O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKAWYCBZAZECN-UHFFFAOYSA-N", "SMILES:C=C(CC(C)(O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXEDABZIAFVUQI-UHFFFAOYSA-N", "SMILES:C=C(CC(O)(C(=O)O)C(F)(F)F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRSRJVGQNCNEFU-OWOJBTEDSA-N", "SMILES:O=C(O)/C=C/C(=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBQCRUWROCTOK-SCSAIBSYSA-N", "SMILES:C=C(C[C@@H](O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBQCRUWROCTOK-BYPYZUCNSA-N", "SMILES:C=C(C[C@H](O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRGAPTQLONVIEY-UHFFFAOYSA-N", "SMILES:N#Cc1nc2ccc(Cl)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL70141", "category": ["biolink:ChemicalEntity"], "name": "2-MERCAPTOBENZIMIDAZOLE", "xref": ["InChIKey:YHMYGUUIMTVXNW-UHFFFAOYSA-N", "SMILES:Sc1nc2ccccc2[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4856216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMDWMDMUXZMHA-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(=S)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1724381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDCJUYCWFLPPM-UHFFFAOYSA-N", "SMILES:Oc1cccc2oc(S)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OECPVFFAUMPBRY-UHFFFAOYSA-N", "SMILES:S=c1[nH]c2c(Cl)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOBIZYYFYLLRAH-UHFFFAOYSA-N", "SMILES:Sc1nc2cc(Cl)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAASPZUBSZGCKU-UHFFFAOYSA-N", "SMILES:S=c1[nH]c2ccc(Cl)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRDNTGJMQMSLW-UHFFFAOYSA-N", "SMILES:S=c1[nH]c2cccc(Cl)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYBFPRUVQGKNIV-UHFFFAOYSA-N", "SMILES:S=c1[nH]c2c(Cl)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1456330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKYDKCVZNMNZCM-UHFFFAOYSA-N", "SMILES:Sc1nc2cc(Cl)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDPFMGWDPYVEK-UHFFFAOYSA-N", "SMILES:S=c1[nH]c2cccc(Cl)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL69086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIHEYOZBRPWMB-UHFFFAOYSA-N", "SMILES:Sc1nc2cc(Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQUTVWJWZYTKLM-UHFFFAOYSA-N", "SMILES:S=c1[nH]c2cccc(Cl)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYCITIXNWOZBI-UHFFFAOYSA-N", "SMILES:Cn1c(S)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQTUHPUSUEHMC-UHFFFAOYSA-N", "SMILES:Cn1c(=S)[nH]c2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDPITNFDYXOKRM-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(=S)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOGSTGLRLMQOV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2oc(=S)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBKYNVBTKLKJBG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(=S)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCZQIFKXIGAFL-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2[nH]c(=S)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARIJQZTDPNQMQ-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]c(=S)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIVNZXCXHJAXHD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2[nH]c(=S)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQRGFYICVOFXMK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2[nH]c(=S)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBVYRQQIVFYBZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]c(=S)oc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1500876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXZWSLYYMNABN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc(S)sc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYUHBGSHHSYBL-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccnc1)Nc1ccc2[nH]c(=S)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYUOLDGCOLIYAT-UHFFFAOYSA-N", "SMILES:O=C(CCc1cccnc1)Nc1ccc2[nH]c(=S)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLIKDMZBLAOAH-SECBINFHSA-N", "SMILES:O=C(Nc1ccc2[nH]c(=S)sc2c1)[C@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHXPOOPCBZTVPK-SNVBAGLBSA-N", "SMILES:Cn1c(=S)[nH]c2ccc(NC(=O)[C@H]3CCCN3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMKOWNRHWXMBKS-UHFFFAOYSA-N", "SMILES:S=c1[nH]c2cccc(Br)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPMKTIYVCBNBFR-UHFFFAOYSA-N", "SMILES:Nc1cccc2[nH]c(=S)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPYASVGPPZDENF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2[nH]c(=S)oc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRZOBILDDNOIK-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccnc1)Nc1cccc2[nH]c(=S)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELHBLLMEXKKEH-UHFFFAOYSA-N", "SMILES:N#Cc1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKAAUWKENUQEO-UHFFFAOYSA-N", "SMILES:O=S(=O)(F)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCPFMQXBPUCMF-UHFFFAOYSA-N", "SMILES:N#Cc1nc2cc(Cl)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSKGJERRKYHFTD-UHFFFAOYSA-N", "SMILES:N#Cc1nc2cccc(Cl)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSFAGLRRUAFLU-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(Cl)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJBBOFZPWCAHI-UHFFFAOYSA-N", "SMILES:N#Cc1nc2cccc(Cl)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSTXCBQIRKERL-UHFFFAOYSA-N", "SMILES:N#Cc1nc2ccc(Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMOXWWPTQKERA-UHFFFAOYSA-N", "SMILES:N#Cc1nc2cccc(Cl)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANNBPKLWYVWKZ-UHFFFAOYSA-N", "SMILES:Cn1c(C#N)nc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNHLXOFELOEOL-UHFFFAOYSA-N", "SMILES:Cn1c(S)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNQYHNDFKVAMEI-UHFFFAOYSA-N", "SMILES:COc1cccc2oc(=S)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWFIJRVGPTQGZ-UHFFFAOYSA-N", "SMILES:Cn1c(=S)[nH]c2ccc(NC(=O)c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAOPUFLBFHLTA-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccnc1)Nc1ccc2[nH]c(=S)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLLJXDXFXDIQB-UHFFFAOYSA-N", "SMILES:Cn1c(=S)[nH]c2cccc(NC(=O)c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQANLUPCSMZGHR-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFRFEBSFFJQBHG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOYLQFIKDHCFA-UHFFFAOYSA-N", "SMILES:Cn1c(C#N)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1708656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXDMTLVCACMNJO-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]c(S)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXRLPDRXZSWHI-UHFFFAOYSA-N", "SMILES:Cn1c(=S)[nH]c2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIWRAFDHZTJPE-OAQYLSRUSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIWRAFDHZTJPE-NRFANRHFSA-N", "SMILES:Cc1cc(NC(=O)[C@@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYRWUAWBPDXQPZ-OAQYLSRUSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFDNMNTISNJLZ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Cc2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKFZHZWJYKJRRR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDRNVJHVMKPKJ-RUZDIDTESA-N", "SMILES:Cc1cc(NC(=O)[C@](C)(O)c2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDRNVJHVMKPKJ-VWLOTQADSA-N", "SMILES:Cc1cc(NC(=O)[C@@](C)(O)c2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGBSJSCXJRRXAN-OAQYLSRUSA-N", "SMILES:Cc1cc(NC(=O)[C@H](N)c2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVXRXBVDPTLON-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)C(O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXMQYIZUPKQHRP-OAQYLSRUSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMJPZNCMRRFABT-LJQANCHMSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUUOXSYZPUEQY-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXNMDQZYHHSSJ-HXUWFJFHSA-N", "SMILES:CCNC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAEWPVUVQVUGEE-OAQYLSRUSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMJNFJUBNDIMV-OAQYLSRUSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTISFUIJNOONP-OAQYLSRUSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cccc(Cl)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZISLAWEFNWGCT-JOCHJYFZSA-N", "SMILES:Cc1cccc([C@@H](O)C(=O)Nc2ccc(-c3cnc(N)c(C(=O)NC(C)C)c3)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHUVPVATWTZPPU-HSZRJFAPSA-N", "SMILES:CCc1cccc([C@@H](O)C(=O)Nc2ccc(-c3cnc(N)c(C(=O)NC(C)C)c3)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRYWGAXPBKWAG-HXUWFJFHSA-N", "SMILES:CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLBTNIBKKNQAH-HXUWFJFHSA-N", "SMILES:CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2F)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSHFTMAPLMJGCF-HXUWFJFHSA-N", "SMILES:CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2Cl)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNDQMKBAYRFBMW-JOCHJYFZSA-N", "SMILES:CCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZVXWPCFOZFXMJ-OAQYLSRUSA-N", "SMILES:COc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSNNBDPTLXPPT-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSNLKRQONAZHZ-JOCHJYFZSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cncc(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZQGFXQCDQMBMH-HSZRJFAPSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(C)c(C(=O)NC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQQJEXTCSZPIW-JOCHJYFZSA-N", "SMILES:CNc1ncc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cc1C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNTVUSJJYIYECG-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1ccc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFLLOUGNTSBEON-GOSISDBHSA-N", "SMILES:CNC(=O)c1nc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKLKQZHTSIJJH-JOCHJYFZSA-N", "SMILES:CO[C@@H](C(=O)Nc1ccc(-c2cnc(N)c(C(=O)NC(C)C)c2)c(C)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALOUMNNRVKJIMN-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cc(C(=O)NC(C)C)c(N)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWSIEBRGXYXAJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEYPVZLSMWIZRD-UHFFFAOYSA-N", "SMILES:O=C(CCCOc1ccc(CC(=O)Nc2cc(C3CCC3)[nH]n2)cc1)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCAHEMJANLCHH-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2cc(C3CCC3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKDBKHSDOXBAL-UHFFFAOYSA-N", "SMILES:CC1(Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)CCCCC1"]}
{"name": "Interferon regulatory factor 3", "xref": ["CHEMBL.TARGET:CHEMBL4523293"], "id": "UniProtKB:Q14653", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDFQWTUVMIGWQO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NCc2ccco2)cc1Cl)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUGMTOOLJPXJN-JXAWBTAJSA-N", "SMILES:CCOC(=O)/C(=C\\c1ccc(B(O)O)cc1)C(=O)c1sc(Nc2ccccc2)nc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOPTXZPHIVRLNG-JWGURIENSA-N", "SMILES:CCOC(=O)/C(=C\\c1ccc(B(O)O)cc1)C(=O)c1sc(Nc2ccc(F)cc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGLYUBCIIUEDQZ-AQTBWJFISA-N", "SMILES:CCOC(=O)/C(=C\\c1ccc(B(O)O)cc1)C(=O)c1sc(Nc2ccc(Cl)cc2)nc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVREIZIZAXDOL-RGEXLXHISA-N", "SMILES:CCOC(=O)/C(=C\\c1ccc(B(O)O)cc1)C(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXDTKKYWMJWOB-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC(c3cc(F)ccc3F)=NN2c2ccc(S(N)(=O)=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWWVOBRRAOJSE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cc(F)ccc3F)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGHMDXIUHIJXQC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C2CC(c3cc(F)ccc3F)=NN2c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERDXPUHGSILLC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cc(F)ccc3F)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVUMPHQFSVJJDP-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC(c3cc(F)cc(F)c3)=NN2c2ccc(S(N)(=O)=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCXZTJJFOZNHMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cc(F)cc(F)c3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKJNIHVGMJOBE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C2CC(c3cc(F)cc(F)c3)=NN2c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXVTTMBUODJLO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cc(F)cc(F)c3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGTTVEFSCZDNRM-HZHRSRAPSA-N", "SMILES:CC(=O)n1cc(/C=C2/N=C(c3ccccc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHVYQLEKGSLEW-PCLIKHOPSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(N2C(=O)/C(=C\\c3cn(C(C)=O)c4ccccc34)N=C2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTTUWFYHWCZHH-HMMYKYKNSA-N", "SMILES:NS(=O)(=O)c1ccc(N2C(=O)/C(=C\\c3ccccc3)N=C2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCFRUCNMWCOMS-RCCKNPSSSA-N", "SMILES:COc1ccc(OC)c(/C=C2/N=C(c3ccccc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKAYJXTWGNTQS-DEDYPNTBSA-N", "SMILES:COc1cc(/C=C2/N=C(c3ccccc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNOMSXYPJLBWKR-BZNQNGANSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNOMSXYPJLBWKR-VFZGUZRASA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFNOTYMUDSZOW-UXCLJVHYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFNOTYMUDSZOW-DTHBNOIPSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRVQCMYJZKFHJ-DNRKLUKYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBUUTXDXOMKCJI-CXSMTQNASA-N", "SMILES:C[C@@H]1OC[C@@](O)(NC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOHLGZUPZMCUKF-XPORZQOISA-N", "SMILES:COC(=O)[C@H]1O[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNOMSXYPJLBWKR-CFDXXZMTSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYAREIXEICMJFJ-KGENOOAVSA-N", "SMILES:COc1ccc(C2=N/C(=C/c3ccc(O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4238832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMJQYGRRPMCKF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nnc(CO)c2-c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUWBIMENRLPBJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nnc(C(=O)O)c2-c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4239935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLZSEDNJSHGVKJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEMRGFAYKCQSL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nnc(C(=O)N3N=C(c4ccccn4)CC3(O)C(F)(F)F)c2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYODMUMBPFNHV-KGENOOAVSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)/C(=C\\c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUGLVXCZLBLLW-UHFFFAOYSA-N", "SMILES:O=Cc1ccccc1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQXQVCTZLMEEGM-JEPNHJGPSA-N", "SMILES:NS(=O)(=O)c1ccc(C/N=C/c2c(OCc3cn(CCCOc4ccc5ccc(=O)oc5c4)nn3)ccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUAVPJJQZISOOM-MEFGMAGPSA-N", "SMILES:NS(=O)(=O)c1ccc(NCC(=O)N/N=C2\\C(=O)N(C(=O)c3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNXOUOJRHUQSKV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\\C(=O)Nc4ccc(Cl)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSCGLDWKZEQIZ-CYVLTUHYSA-N", "SMILES:CCN1C(=O)/C(=N\\NC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVBMIVYKRVLCQG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nnc(C(=O)N3N=C(c4ccccn4)CC3(O)C(F)(F)F)c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAMYSVQDGMDNG-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CC(C(=O)O)CC2=O)cc(C)c1S(=O)(=O)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYVVRBXEBODTED-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CC(C(=O)O)CC2=O)cc(C)c1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKOFARYUUHCAL-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CC(C(=O)O)CC2=O)c(Cl)c(C)c1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKFAOJRURLSPO-SHYITIELSA-N", "SMILES:C[C@@H]1CCN=C([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKFAOJRURLSPO-FSXYGKJESA-N", "SMILES:C[C@@H]1CCN=C([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRBNGKPRTHBEIQ-RWWNDWOOSA-N", "SMILES:C[C@H]1CCC([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL457588", "category": ["biolink:ChemicalEntity"], "name": "VERAZINE", "xref": ["InChIKey:VRBNGKPRTHBEIQ-LURFOZDGSA-N", "SMILES:C[C@H]1CCC([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4877418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXZGIZKLMVDNTD-JLTWLXDTSA-N", "SMILES:CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@@]34O[C@]5(O)[C@@H]([C@@H](O)[C@@H](O)[C@H]3[C@@]21O)[C@]4(C)CC[C@@H]5O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMMINDRCVQZDMN-SLZUFSGJSA-N", "SMILES:C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]3C[C@H](O)[C@@H]1[C@]2(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4865285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLSYCIYRYZUJCZ-MTXMLOAPSA-N", "SMILES:C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4852977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYKIBRZZUTBOO-APDUIDKJSA-N", "SMILES:C[C@H]1CC[C@@H]([C@@H](C)[C@]2(C)CCC3C2=CCC2C3CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@@]32C)NC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCYONVSVKQVALR-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CN(C)C)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAPPKEKKVUXSCR-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFAOCMRUJDNSOA-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSBDXSGQMHVOLT-UHFFFAOYSA-N", "SMILES:CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJBZECMDXNZSX-UHFFFAOYSA-N", "SMILES:CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CCCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URJHRMXSWREGLT-UHFFFAOYSA-N", "SMILES:CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCCC5=O)cc3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLWMHNBPLXCKL-UHFFFAOYSA-N", "SMILES:CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCCC5=O)cc3F)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXHQCLFISGGSLE-UHFFFAOYSA-N", "SMILES:CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCCC5=O)c(F)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSAGYVBZPKGAO-UHFFFAOYSA-N", "SMILES:CN1CCC(CC(=O)Nc2cc(Oc3cc(F)c(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCCC5=O)cc3F)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSXNODIVIMDDT-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)N4CCC(N5CCN(C)CC5)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZSNXAYRLASRN-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(C(=O)Nc3cc(Oc4cc(F)c(NC(=O)c5cc6c(n(-c7ccccc7)c5=O)CCCC6=O)cc4F)ccn3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPMZIRBMWWISL-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSXJCQIMZWBFQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSIQDWROCVFQSV-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLUXEIBYLLFPTR-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CC(O)C4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOTRGRDIRVJRGQ-UHFFFAOYSA-N", "SMILES:CNC1CN(C(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3)ncn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUTKAHHQRZGHIS-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CC(N5CCCC5)C4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPIHEOATRHIZAP-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC(N5CCN(C)CC5)CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZTURFSBHYCCGX-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)c5cn(C)c(=O)n(-c6ccc(F)cc6)c5=O)cc4)ncn3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOPPXMDAUTYSM-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)c5cn(C6CC6)c(=O)n(-c6ccc(F)cc6)c5=O)cc4)ncn3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IITRYWKRMYPEEH-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)c5cn(C6CCCC6)c(=O)n(-c6ccc(F)cc6)c5=O)cc4)ncn3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMNOPGSZOYYDCD-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1ccnc2[nH]c(-c3ccc(C(=O)N4CCOCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFGIIFVORRZHC-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1ccnc2[nH]c(-c3cnn(C)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMMDLUVGCVNIFG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc3[nH]c(-c4cnn(C)c4)nc23)ccc1CNC(=O)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPTYZQLDWQHRK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHIWVHWOVLFXIZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJOHSDQAQSRAA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CNC(=O)c5nc(C6(C)CC6)no5)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQFRYNVWFJCZOA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUHXRVDXLVSTPU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CNC(=O)c5cc(C(C)(C)C)no5)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKTJZXHYXWJXQQ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CNC(=O)c5cc6c(s5)CCCC6)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBVFTEZRJAHDNL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CNC(=O)c5ccc(OC(F)(F)F)cc5)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQCKJNBWROPCAZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cn5)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHMIJXZRFMSIL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCc2ccc(-c3ccnc4[nH]c(-c5cnn(C)c5)nc34)cc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKFJQXCFVEGAL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CN5CCc6cc(C(C)(C)C)ccc6C5=O)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPUEKMMMVHFPJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CNC(=O)C5CCC(C(C)(C)C)CC5)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPMDMFODNRNCOX-UHFFFAOYSA-N", "SMILES:CC1CC2(C1)CN(C(=O)NCc1ccc(-c3ccnc4[nH]c(-c5cnn(C)c5)nc34)cc1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNJNLXUYTJCBRG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(CNC(=O)N5CC(OC(C)(C)C)C5)c(F)c4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLCPVMGWZZVSBF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4[nH]c(-c5cnn(C6CCOCC6)c5)nc34)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAOZSTQBDRTAJA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4[nH]c(-c5cnn(CCN6CCOCC6)c5)nc34)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPFSNSANDROBL-UHFFFAOYSA-N", "SMILES:COc1ccnc(-c2nc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(F)c4)ccnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQCLCVJZVSJFE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4[nH]c(C5CC5)nc34)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOUYDIVIHVIARV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc(C5(NC(=O)c6nc(C(C)(C)C)no6)CC5)cc4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVDTIOVHBDWGP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVDTIOVHBDWGP-FQEVSTJZSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVDTIOVHBDWGP-HXUWFJFHSA-N", "SMILES:Cn1cc(-c2nc3c(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHASZSIQSYUKGT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1noc(C(=O)NC2CCCc3cc(-c4ccnc5[nH]c(-c6cnn(C7CCOCC7)c6)nc45)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJJKWNPIYKQNB-RUZDIDTESA-N", "SMILES:Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cnn1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJVGDVFZOUURTK-VWLOTQADSA-N", "SMILES:Cc1nn(C2CCOCC2)cc1-c1nc2c(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVGIUIWPVYQHA-QHCPKHFHSA-N", "SMILES:Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cnn1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJVJJAPVHAVMGV-QHCPKHFHSA-N", "SMILES:Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMKXAMKRPEXJE-HSZRJFAPSA-N", "SMILES:Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKHCINHUUVRNIS-QFIPXVFZSA-N", "SMILES:CC(C)n1cc(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKFYFCKCXKVPO-XMMPIXPASA-N", "SMILES:Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTUJNJAKTLHBEX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPVNARSWEKTSIC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)N3CC(CCl)c4ccccc43)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZXXRYUPQCFAF-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"name": "Interleukin-15", "xref": ["CHEMBL.TARGET:CHEMBL4879439"], "id": "UniProtKB:P48346", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OURYKCRLLYNLDL-UHFFFAOYSA-N", "SMILES:Cn1nc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2CCC=O)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIYFTCVVSBNTC-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2nn(CCC=O)c(=O)c3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCIVEKHHJRXVMF-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1nc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNCGNPWKAPRTO-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQJVBRGSNZSKG-UHFFFAOYSA-N", "SMILES:CCOC(CCn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKWOFDJZGMDOEV-UHFFFAOYSA-N", "SMILES:Cn1nc(Cc2nnc(SCCCCCCCC(=O)Nc3ccc(Cl)cc3Cl)n2CCC=O)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZARHQUDAMZGG-UHFFFAOYSA-N", "SMILES:Cn1nc(Cc2nnc(SCCCCCCCC(=O)Nc3ccc(Cl)cc3Cl)[nH]2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APRYGLLMCLFANI-UHFFFAOYSA-N", "SMILES:Cn1nc(Cc2nnc(SCCCCCCCC(=O)Nc3ccc(Cl)cc3Cl)n2CCC(=O)O)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCYGLQJYYKMIV-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOPJYDONKJPGOM-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2nn(CCC=O)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSZFFYJMSHQBH-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1nc(Cc2nnc(SCCCCCCCC(=O)Nc3ccc(Cl)cc3Cl)n2C)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWUULUXEHZPNW-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAOVIZSTZKNRMK-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2nn(CCC3OCCO3)c(=O)c3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDAVYAJNOJTKBR-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2nn(CCCO)c(=O)c3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONGBBHLBRUCXOK-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2n[nH]c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"name": "Interleukin-2", "xref": ["CHEMBL.TARGET:CHEMBL5880"], "id": "UniProtKB:P60568", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJOWFVQKSZAON-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2nn(CCC(=O)O)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMKBJNQMQEJQO-UHFFFAOYSA-N", "SMILES:Cn1c(Cc2nn(CCCO)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLZUYLRPWGRHEE-ZTXYIFKNSA-N", "SMILES:CC.FC(F)(F)Oc1ccc(/N=c2\\ssnc2Cl)cc1Cl"]}
{"name": "Neutral amino acid transporter B(0)", "xref": ["CHEMBL.TARGET:CHEMBL3562162"], "id": "UniProtKB:Q15758", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAXCYDIQWXCPEF-DFQSSKMNSA-N", "SMILES:c1ccc([C@@H]2c3cccnc3N[C@@H]3c4ccccc4OC[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPMBXBQQJIUZEN-WYMJOSIYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](c4ccccc4)c4cccnc4N[C@@H]3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKRYJIKRNQPCIG-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)-c1nc3ncccc3c(-c3ccccc3)c1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOCIYBIEDGIRA-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c2nc3ncccc3c(-c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGXUXZQWZIPLRN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2Cc3c(nc4ncccc4c3-c3ccccc3)-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPAKIWNXMQSADD-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2Cc3c(nc4ncc(Br)cc4c3-c3ccccc3)-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODPIHPCCOSWGME-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCNCC2)c2cc(F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPZACVKKPNORE-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCNCC2)c2ccccc2n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWBJHJCMRRTML-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSZGZYRULBTQF-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBCUABBOASHHE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(NC(=O)CN3CCN(c4cc(=O)[nH]c5ccc(F)cc45)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQBZAZUDSRNJU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(NC(=O)CN3CCN(c4cc(=O)[nH]c5ccc(F)cc45)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTWKSNYVYTRFT-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2cc(=O)n(-c3ccccc3)c3ccccc23)CC1)Nc1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNWCMXOAWZXEH-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2cc(=O)n(-c3ccccc3)c3ccccc23)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJRNHDYWKGCFA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(NC(=O)CN3CCN(c4cc(=O)n(-c5ccccc5)c5ccccc45)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZMBPKRVMMOMV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(NC(=O)CN3CCN(c4cc(=O)n(-c5ccccc5)c5ccccc45)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNKVTLINZXZOGT-BHNHJVBGSA-N", "SMILES:CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\\C=C\\C(=O)OCC[C@@H](C)[C@H](OC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c5ccc(NCc6cnc7nc(N)[nH]c(=O)c7n6)cc5)C(=O)O)C(=O)O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNDCKROBKFEYEB-BTNSXGMBSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFPNBNXDTGENHI-NOJHDXHQSA-N", "SMILES:C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](OC(=O)Cn3cc(-c4cccc(Cl)c4)nn3)C[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANGYKOAXRTHJB-UHFFFAOYSA-N", "SMILES:CC1(C)CC1C(=O)Nc1nc2ccc(Oc3ccc(F)c(NC(=O)Cc4cccc(C(F)(F)F)c4)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANGYKOAXRTHJB-IBGZPJMESA-N", "SMILES:CC1(C)C[C@H]1C(=O)Nc1nc2ccc(Oc3ccc(F)c(NC(=O)Cc4cccc(C(F)(F)F)c4)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANGYKOAXRTHJB-LJQANCHMSA-N", "SMILES:CC1(C)C[C@@H]1C(=O)Nc1nc2ccc(Oc3ccc(F)c(NC(=O)Cc4cccc(C(F)(F)F)c4)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDSQERWTMKMZLA-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)ccc1F"]}
{"name": "Receptor-interacting serine/threonine-protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3784911"], "id": "UniProtKB:Q60855", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUKCVCMCFNHDI-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccccc2)C(c2ccccc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUYSIZLGDMSDF-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSRBJXAQZCBEDX-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC2C(=O)N(c3ccccc3)N=C2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCQIIYUTYWMPS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CC1C(=O)N(c2ccccc2)N=C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBXMMIZXVXVJY-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CANWOYLEFOGDHZ-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNCEJOTLVBUEX-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAPDNYAOSOSHEY-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIFMPZPSCUAVEA-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccc(C(F)(F)F)cc2)C(c2ccccc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZEFWUJRQDTEGU-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMXICBFHJAOJDK-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYRVJMEIQKPDO-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2cccc3ccccc23)C(c2ccccc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCFBJRAHMRXTOO-UHFFFAOYSA-N", "SMILES:CCC1C(=O)N(c2ccccc2)N=C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLIHDVIZHJXIS-UHFFFAOYSA-N", "SMILES:C=CCC1C(=O)N(c2ccccc2)N=C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVIQCYQBJFIAQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccccc3)C(=O)C2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBBIUCJVLGQBFW-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccccc2)C(c2ccc(Br)cc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHQVJMJCQBSHI-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccccc2)C(Cc2ccccc2F)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWMBDCIXGOGLR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(c3ccccc3)C(=O)C2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVXBJQQYOPQEMX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2=NN(c3ccccc3)C(=O)C2Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSULECWVFHLAIS-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccccc2)C(c2cccs2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGSWLNQJYEQQO-UHFFFAOYSA-N", "SMILES:CC1=NN(c2ccccc2)C(=O)C1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORTNHDWAKYRVJF-UHFFFAOYSA-N", "SMILES:CC1=NN(c2ccccc2)C(=O)C1Cc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOABSXKQEBXFFF-UHFFFAOYSA-N", "SMILES:CC1=NN(c2ccccc2)C(=O)C1Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSNEUSVKYDZLJ-UHFFFAOYSA-N", "SMILES:CCC1=NN(c2ccccc2)C(=O)C1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBVIFRULDLDDW-UHFFFAOYSA-N", "SMILES:CN1N=C(c2ccccc2)C(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXEGFHKUKQNBGX-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccccc2)C(c2ccccc2)=NN1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIXUXAFPTNJYDK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC2C(=O)N(C3CCCCC3)N=C2c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRGQSWVCFNIUNZ-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(O)COP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4853580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNAPFWMGAHRRV-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCSEWIAHIPYOK-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(C)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTAQMOJYRBWDFK-UHFFFAOYSA-N", "SMILES:Cc1cccc(N(C)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLBJCHFYISLCE-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJSKNIQUAVMRO-UHFFFAOYSA-N", "SMILES:COc1cccc(N(C)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGYWBHIIDZALIQ-UHFFFAOYSA-N", "SMILES:CN(c1ccc(O)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYMDLHXPHHEHKX-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1Cl)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVQBTOEUUJVEG-UHFFFAOYSA-N", "SMILES:CN(c1ccc(Cl)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCSFYKMJPJLIE-UHFFFAOYSA-N", "SMILES:CN(c1cccc2ccccc12)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJNJIFNEZVYAP-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAKDMEGAKNIPPP-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILVWNEBCPRKJEI-UHFFFAOYSA-N", "SMILES:CCN(c1cccc(C)c1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUJMFJARZPYORT-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLNGDSGFMBHLJ-UHFFFAOYSA-N", "SMILES:CCN(c1cccc(OC)c1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETXGDWNBJQLMD-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(O)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDMIBYKRXNXICV-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1Cl)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNQIDYUTACLFX-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(Cl)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWAJAOBXFPHJDN-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1Br)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBNIQANOMUQHTG-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)N(CC(F)(F)F)c4ccccc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIHJQOKOOZCBRS-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHAGQGGCFMNGH-UHFFFAOYSA-N", "SMILES:Cc1cccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFNPZUNHIANMN-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFGQWSXJBQOQV-UHFFFAOYSA-N", "SMILES:COc1cccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPRWMOJRYCIJTB-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)N(Cc4ccccc4)CC(F)(F)F)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKDGMHLBCBZLCS-UHFFFAOYSA-N", "SMILES:O=S(=O)(C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1)N(CC(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJNNSZVYDFUMS-UHFFFAOYSA-N", "SMILES:Cc1cccc(OS(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDSCUUKIXBPTE-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4cccc5ccccc45)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJVPVGVFUQQGQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccccc1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPNRZPKPMXWJO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPWNVOHBTSBREO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cnc5ccccc5c4)n3c2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAKQADTDVGYOC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccc5ncccc5c4)n3c2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWGILRASQNZHL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCC(N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTRNWXSWYYTHJJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cnc5ccccc5c4)n3c2)cc1)N1CCC(N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPVMLXMMNJXHBQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccc5ncccc5c4)n3c2)cc1)N1CCC(N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWDCJKPJKMBFCI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRXEJCHDGKETG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cnc5ccccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQBAOLJYOQEOU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccc5ncccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZWVSDSGWLASHL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFXZZCKTTUGHL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cnc5ccccc5c4)n3c2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEBSMQKSFYUDCK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccc5ncccc5c4)n3c2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNGTCDEHZFRSK-QHCPKHFHSA-N", "SMILES:N[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDNGCTAWOOSJIU-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSNAMJCLIIQNPP-VWLOTQADSA-N", "SMILES:N[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSNAMJCLIIQNPP-RUZDIDTESA-N", "SMILES:N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPQIFRWWIYXCH-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNGTCDEHZFRSK-HSZRJFAPSA-N", "SMILES:N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEUHVTVNJONCLA-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc6cnccc6c5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOGCPCCVIPBIK-QHCPKHFHSA-N", "SMILES:N[C@H]1CCCN(C(=O)c2ccc(-c3cn4c(-c5ccc6cnccc6c5)cnc4cn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOGCPCCVIPBIK-HSZRJFAPSA-N", "SMILES:N[C@@H]1CCCN(C(=O)c2ccc(-c3cn4c(-c5ccc6cnccc6c5)cnc4cn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211649", "category": ["biolink:ChemicalEntity"], "name": "TINODASERTIB", "xref": ["InChIKey:FWRFPHJSGLYXTD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1"], "synonym": ["Tinodasertib", "Tinodasertib", "Tinodasertib", "Aum001", "Etc-206", "Tinodasertib", "AUM-001", "ETC1907206"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACWYLSZXQMKMD-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1995010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHXMWXYVYOBQI-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)SCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSNCNCRRNWZNDA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)SCc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBQWJVRTMNAWFV-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)SCc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYFKUVLMXFFMA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)SCc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHWRYVCOZUYMD-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)SCc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYAXFZBHCNOSO-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)SCc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMDDZOOLIQIDD-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)SCc2ccc(OC(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBOKLOBSYZREV-UHFFFAOYSA-N", "SMILES:COc1ccc(CSS(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPADCWYAPMDGA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)SCc2ccc(C(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUDAZIWXWUCRZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)SCc2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL536047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFZZHUTNUAVBT-UHFFFAOYSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAOMAHMBSFTYHQ-XECVZFJYSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCNC(=O)[C@@H](N)Cc4c[nH]c5ccccc45)c3C(C1)C2.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWWWNDYOEMUHKM-DTUJDRTGSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCNC(=O)[C@@H](N)Cc4c[nH]c5ccccc45)c3C(C1)C2.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQXPUBCLBHTOQ-NLLOFFCTSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCNC(=O)[C@@H](N)Cc4c[nH]c5ccccc45)c3C(C1)C2.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDPFLTTTZILSHX-WLOLSGMKSA-N", "SMILES:Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APQPVVOYBLOJDY-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(c(N)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCMWKNABWVNMDK-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(c(N)c2c1)C1CC(C)=CC(C3)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWAHMAWZJYIHRF-UHFFFAOYSA-N", "SMILES:COc1cc(C(NC2=NC(=O)C(CC(=O)Nc3ccc(C(=O)O)cc3)S2)c2c(O)[nH]c(=O)[nH]c2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDDNJOIBDROFPF-AGGYBRLQSA-N", "SMILES:N=C(N/N=C/c1ccccc1O)c1nonc1NCNc1nonc1C(=N)N/N=C/c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFRKBUXVWCYJMA-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(NC2CC2)s1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLQYYKQHFXXCJR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORNOOLWVDQHIS-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBYAGPXONCJQB-WMZJFQQLSA-N", "SMILES:COc1ccc(/C=C\\C(=O)NC(=S)Nc2ccc(S(=O)(=O)NC(N)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCBJOPCSHXOSZ-UHFFFAOYSA-N", "SMILES:COc1cc(CC(C)NCc2cc(NC(=O)c3ccccn3)cc(C(=O)N(C)C)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJSCWDSZLBBCQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)cc(CSc3nnc(CSc4nc5ccccc5o4)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOSKKVBQJRJQT-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=O)cc(CSc3nnc(CSc4nc5ccccc5o4)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFVETNOXIEICY-UHFFFAOYSA-N", "SMILES:O=c1cc(CSc2nnc(CSc3nc4ccccc4o3)o2)c2c(ccc3ccccc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRKHAFZZUSKSGN-UHFFFAOYSA-N", "SMILES:O=c1cc(CSc2nnc(CSc3nc4ccccc4o3)o2)c2ccc3ccccc3c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDMOBBZIUGUJBS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(CSc3nnc(CSc4nc5ccccc5o4)o3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVYZIRNTBALPGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(CSc3nnc(CSc4nc5ccccc5o4)o3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSXDAALNPMIWIH-UHFFFAOYSA-N", "SMILES:Cc1cccc2oc(=O)cc(CSc3nnc(CSc4nc5cc(Cl)ccc5o4)o3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPRMVOFUUXXJDV-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=O)cc(CSc3nnc(CSc4nc5cc(Cl)ccc5o4)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDLYVZMFKFEDK-UHFFFAOYSA-N", "SMILES:O=c1cc(CSc2nnc(CSc3nc4cc(Cl)ccc4o3)o2)c2c(ccc3ccccc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBNZFMFKHLNBLI-UHFFFAOYSA-N", "SMILES:O=c1cc(CSc2nnc(CSc3nc4cc(Cl)ccc4o3)o2)c2ccc3ccccc3c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVFLAIIXNQFOJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(CSc3nnc(CSc4nc5cc(Cl)ccc5o4)o3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFIGQDLCBUAFI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(CSc3nnc(CSc4nc5cc(Cl)ccc5o4)o3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPAZLTQZYXMTQP-UHFFFAOYSA-N", "SMILES:OC1(c2ccccc2)CSC(=S)N1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1081780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBAMCRSJCGXQCQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1OC"]}
{"name": "Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7", "xref": ["CHEMBL.TARGET:CHEMBL4879430"], "id": "UniProtKB:P0C870", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1498999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBAIDWNPBICRH-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAOLSNCCCVWSHC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(C(=O)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982723", "category": ["biolink:ChemicalEntity"], "name": "DAROVASERTIB", "xref": ["InChIKey:XXJXHXJWQSCNPX-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1"], "synonym": ["Darovasertib", "Darovasertib", "Ide196", "Lxs196", "IDE-196", "IDE196", "LXS-196", "LXS196", "NVP-LXS-196", "Darovasertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPUGYXWOBGQLL-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4295086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUACGYFLUWHTNV-WFIJOQBCSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCKXYRZSCQYTI-HGXRYYEQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRUJZKWRNXPGR-BAZBJWKESA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCOQQYCSSMCVHJ-BAZBJWKESA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.COC(=O)N/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBDEJALBVQFAO-CRUPZZKGSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N/OCc2ccccc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSANAFJWRJWKJ-ORXGBHRDSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGGQBIQHDMIGMI-ORXGBHRDSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJWNGPIHAALKF-ORXGBHRDSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHYJXAAFOIYDDV-ORXGBHRDSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWIWENVDCJRZAM-HJIQGPIZSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYWYLMGTJKVLKB-BWBFMJMBSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\\OCc2ccccc2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJLMWLTGNYFPU-BWBFMJMBSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\\OCc2cccc(F)c2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWXJSMNTIXJBTG-BWBFMJMBSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\\OCc2cccc(Cl)c2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISCZEHRUVADKO-BWBFMJMBSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\\OCc2cccc(C(F)(F)F)c2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQARGMGUFRNPK-HWPXOOKVSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.COC(=O)c1cccc(CO/N=c2/ccn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWOUPYQXZCJKOP-BWBFMJMBSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\\OCc2ccc(Cl)cc2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUXGMWGQKKRBW-HWPXOOKVSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cc1ccc(CO/N=c2/ccn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWSOMDIYNCKXOO-BWBFMJMBSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\\OCc2ccc(C(F)(F)F)cc2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVFDTMKGISHHN-HWPXOOKVSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.COC(=O)c1ccc(CO/N=c2/ccn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJRFBKJYGKPVAB-BWBFMJMBSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\\OCc2ccc(S(F)(F)(F)(F)F)cc2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXVVDKODWTTKZ-ZBRBXNJLSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\\OCc2ccccc2)c(F)cn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZUGHDUOIRIMNR-YKZNYDHQSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cc1cn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]/c1=N\\OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FELOCUIMYJNFEI-BOICIPTOSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=C(/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLUKVNMSSCKPF-BAZBJWKESA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNAOQUJGPPEGN-UHFFFAOYSA-N", "SMILES:N=C1C(=O)NC(=O)c2cc(-c3ccc(OCC(=O)NCCCNC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPQGVVMSPGPEKY-UHFFFAOYSA-N", "SMILES:N=C1C(=O)N(CCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)c2cc(-c3ccccc3)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGKHNPAHKHGQE-UHFFFAOYSA-N", "SMILES:N=C1C(=O)NC(=O)c2cc(-c3ccc(OCCCCOC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPPLHSWBAHCGH-UHFFFAOYSA-N", "SMILES:O=C(CC12CC3CC(CC(C3)C1)C2)NCCCCOc1ccc(-c2cc3c(s2)C(=O)C(=O)NC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDXRPXCIIWLJG-UHFFFAOYSA-N", "SMILES:N=C1C(=O)NC(=O)c2cc(-c3ccc(OCCCCNC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACKXSVOLYGEMB-UHFFFAOYSA-N", "SMILES:N=C1C(=O)NC(=O)c2cc(-c3ccc(OCC(=O)NCCOCCOCCNC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQOOVEPSYQCYEG-UHFFFAOYSA-N", "SMILES:CC(C)C(O)(C(=O)O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWXGZNYOFJRCNH-UHFFFAOYSA-N", "SMILES:CC(C)C(O)(C(N)=O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTKJFFAIVHAPKX-UHFFFAOYSA-N", "SMILES:CC(C)C(C(N)=O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKCPJLIKGCZUPC-UHFFFAOYSA-N", "SMILES:CC(C)C(F)(C(N)=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWPDFBDBLFIMB-UHFFFAOYSA-N", "SMILES:CC(C)C(CC(N)=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWSPTWFCUUDLI-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGARCLJBHYNGIT-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)CC(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKAWIGHHBMZLQX-UHFFFAOYSA-N", "SMILES:CONC(=O)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSLZGVIENVTDJ-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)NCCO)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNTWSPAREKPGSB-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)NCCN(C)C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSRBOCQKSKWHKM-UHFFFAOYSA-N", "SMILES:COCCOCCOCCNC(=O)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVVXVDVIYIOPQS-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)NC(CO)CO)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSURFPKNNLBQV-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)NC(CO)(CO)CO)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHIORNIKZBTOLL-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)NC1CCOCC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFZFOJZYLJIAU-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)NC1CCS(=O)(=O)CC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSEVIKQIJFDTTM-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)NC1CNC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZOQFZJWVWQME-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KACPXLOEGJNMLQ-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)Nc1nccs1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBVHPTWFCNFGTJ-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)Nc1ccncc1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFQCDAIXGKKBRB-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)Nc1ccc2c(c1)ncn2C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNKQEOIVWPVTA-UHFFFAOYSA-N", "SMILES:CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCRPQODUQCNNZ-UHFFFAOYSA-N", "SMILES:CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCCCS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIDHZAOQJKHUSM-UHFFFAOYSA-N", "SMILES:CC(C)C(CN1CCCCC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPIEBJDGZSTAY-UHFFFAOYSA-N", "SMILES:CC(C)C(CN1CCOCC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTARDXQUCNONN-UHFFFAOYSA-N", "SMILES:CC(C)C(CN1CCS(=O)(=O)CC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVOUVMVMVNWNFV-UHFFFAOYSA-N", "SMILES:CC(C)C(CN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFIAFDZWJKORAH-UHFFFAOYSA-N", "SMILES:CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHGAKPXLJNIFBQ-UHFFFAOYSA-N", "SMILES:CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCN/C1=N\\C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAXGJOJMZPSRW-GHRIWEEISA-N", "SMILES:CC(C)C(/C=C1\\CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAXGJOJMZPSRW-LGMDPLHJSA-N", "SMILES:CC(C)C(/C=C1/CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRRYONVYYKRREG-IEBWSBKVSA-N", "SMILES:CC(C)[C@@H](C[C@H]1CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRRYONVYYKRREG-MJGOQNOKSA-N", "SMILES:CC(C)[C@H](C[C@H]1CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZSXKLVRPIDLES-UHFFFAOYSA-N", "SMILES:CC(C)C(c1ncc[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YECGYSITIVNLNO-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c(C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXHMKKTZXRFJZ-UHFFFAOYSA-N", "SMILES:Cc1nc(C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C(C)C)[nH]c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXTZDGMEDUTZQA-UHFFFAOYSA-N", "SMILES:CC(C)C(Cc1ncc[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJPSMHEPDTSJG-UHFFFAOYSA-N", "SMILES:CC(C)C(c1ncco1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPBTWGLEFXNCN-UHFFFAOYSA-N", "SMILES:CC(C)C(c1cnc(N)s1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUIBDDMRHIBBNC-UHFFFAOYSA-N", "SMILES:CC(C)C(Nc1nccs1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCNZNOJCPBFEA-UHFFFAOYSA-N", "SMILES:CC(C)C(c1nnc[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTDUQXTCRGYHF-UHFFFAOYSA-N", "SMILES:CC(C)C(Cc1nnc[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZQCJXRTDMYCEG-UHFFFAOYSA-N", "SMILES:CC(C)C(Nc1nnc[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYUMGRKUROFGX-UHFFFAOYSA-N", "SMILES:CC(C)C(Cc1nnn[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNSIKGKUFYBPC-UHFFFAOYSA-N", "SMILES:CC(C)C(c1noc(=O)[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEAYZKPNDZSMGX-UHFFFAOYSA-N", "SMILES:CC(C)C(Cc1noc(=O)[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLAGBOYGCWFAEA-UHFFFAOYSA-N", "SMILES:CCC(CC)(c1nnc[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIDOIHYOBDTHRH-UHFFFAOYSA-N", "SMILES:CCC(CC)(c1nnc[nH]1)c1ccc(-c2ccc3cc(F)cc(F)c3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNAFJIOSXPPIR-UHFFFAOYSA-N", "SMILES:CCN1CCOc2c(F)cc(-c3ccc(C(CC)(CC)c4nnc[nH]4)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZURCRPUMJSFFQ-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(F)cc(-c3ccc(C(CC)(CC)c4nnc[nH]4)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORDJBPXXNPFJIB-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(F)cc(-c3ccc(C(CC)(CC)c4nncn4C)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIDORYVGFOPUMV-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(F)cc(-c3ccc(C(CC)(CC)c4ncn(C)n4)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKDNTXTBBMFAT-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(F)cc(-c3ccc(C(CC)(CC)c4nnc(C)[nH]4)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMSNOYFFJVKQT-HXUWFJFHSA-N", "SMILES:CCn1ncc2c(C)cc(-c3ccc([C@@]4(C)CCNC4=O)c(=O)[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USWHPEMIZYRJNL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cncc2[nH]c(C3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKCNNIKFDNJBP-UHFFFAOYSA-N", "SMILES:COc1ncc(C(N)=O)c2nc(C3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJDTFHKESVXSL-UHFFFAOYSA-N", "SMILES:CCOc1ncc(C(N)=O)c2nc(C3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCIPGDVYHLKJU-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZRDJSUCQHYBFN-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRCIXXVHPTQRA-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPDWZSAAUJOIQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3n(c2c1)CCN(C(=O)c1cc(Cc2n[nH]c(=O)c4ccccc24)ccc1F)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSXLCJJXPXNDB-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nc3ccc(Cl)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROYDROPQKIEGP-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nc3ccc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPHCAGNMVZCPS-UHFFFAOYSA-N", "SMILES:COc1nnc(Cc2ccc(F)c(C(=O)N3CCC(c4nc5c(C(N)=O)cncc5[nH]4)CC3)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDFONNRIEJFTRH-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccc(F)c(CN3CCC(c4nc5ccccc5[nH]4)CC3)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCJCDZSYVYNDHE-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccc(F)c(CN3CCN(c4nc5ccccc5[nH]4)CC3)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACYISHPUCDJNI-BQYQJAHWSA-N", "SMILES:COC(=O)/C=C/c1cccc2[nH]cc(CN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALOSQNXOYICDFD-VOTSOKGWSA-N", "SMILES:CN(C)Cc1c[nH]c2cccc(/C=C/C(N)=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYVPETVWLPRSOZ-ONGXEEELSA-N", "SMILES:O=C1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQILZBBMBPPIJB-IJNKXORISA-N", "SMILES:C=CCN(C)C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C"]}
{"name": "1,4-dihydroxy-2-naphthoate octaprenyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4879548"], "id": "UniProtKB:P9WIP3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUMWHPZVRGSLMO-XGGJEREUSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)C(N)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLIRANLCBIKPTD-UHFFFAOYSA-N", "SMILES:C=CCN(C)CCCCCCCCOc1ccc2ccc(OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEEZZNPPUDSSLS-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc(OCCCCCCCCN3CCCCC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMHCSLRDQVEIIJ-UHFFFAOYSA-N", "SMILES:CC1=C(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)NC2C=CC(c3cnn(C4CC4)c3)=CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSIJJXOWLFOYIN-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2cc(NCCCn3cccn3)nc(S(C)(=O)=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL586426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLVPDBRSUHNJQQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)NC2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUACXQJMNIDQMB-JKSUJKDBSA-N", "SMILES:CN1C[C@H](Nc2nc3c(c(=O)n2C)CCC3)C[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYWAAIICYAOVPF-UHFFFAOYSA-N", "SMILES:CCOc1c(I)cc(C(N)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVDPOHZQPMVPV-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1cc(NCc2ccco2)c2noc3c2c1C(=O)c1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZXZRRFENSICAK-BTQNPOSSSA-N", "SMILES:C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZXZRRFENSICAK-ZOWNYOTGSA-N", "SMILES:C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLFWEKWSAFPRQG-UHFFFAOYSA-N", "SMILES:Brc1cnc2[nH]nc(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXZKNQDUAWCXFU-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2n[nH]c3ncc(Br)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFGBDYZIORKKA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2n[nH]c3ncc(Br)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQUHVSJCRRXBRX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZNZVNQDMRWLSV-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2n[nH]c3ncc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGLZBEIIOSXZTK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2n[nH]c3ncc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJJWSZXBTSYUIF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2n[nH]c3ncc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMPTWJDGYSZGD-UHFFFAOYSA-N", "SMILES:Brc1cnc2[nH]nc(-c3ccc4cc[nH]c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWKXRJPFGFPNMH-UHFFFAOYSA-N", "SMILES:Brc1cnc2[nH]nc(-c3cncnc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFYMWHZHTVVTA-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2n[nH]c3ncc(Br)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGDIZGIXBXKFNL-UHFFFAOYSA-N", "SMILES:Brc1cnc2[nH]nc(-c3ccsc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYRDDOKDBEIFW-UHFFFAOYSA-N", "SMILES:Brc1cnc2[nH]nc(-c3cnn(Cc4ccccc4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMMMXOMBMNEKU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2n[nH]c3ncc(Nc4ccccc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXZCSYXEGFNOPO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2n[nH]c3ncc(Nc4cccc(O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKCDSXCMVIXFG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2n[nH]c3ncc(Nc4cccc(OCc5ccccc5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGAHZVJVMCCAOO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(Nc4ccccc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDWKOEXYKJGIMA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(Nc4cccc(O)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABMAOGVUUQCYHD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(Nc4cccc(OCc5ccccc5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJQNEYGXPJOBO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJAODSOFFLOIKC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCUCEXJBMSIMH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3[nH]nc(-c4cccc(NC(C)=O)c4)c3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CROVEFPUGGIVBG-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2n[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQSROMOXGBVJP-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cnc3[nH]nc(-c4ccccc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPUEXLGIHXXJP-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cnc3[nH]nc(-c4ccc(O)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYVKILZNVZGMIM-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2cnc3[nH]nc(-c4cccc(O)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRKFVZHMMKLIL-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2n[nH]c3ncc(-c4ccc(O)c(O)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHDQJMFXABVJA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2n[nH]c3ncc(-c4ccc(O)c(O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWJRDKVZXNVBIV-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2n[nH]c3ncc(-c4ccc(O)c(O)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLSDONYZOZOLNU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cnc3[nH]nc(-c4ccc(O)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRYFNIKUFKPIC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cnc3[nH]nc(-c4ccc(O)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMYRLVGSWLCSL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(NC(C)=O)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTMAMGUAICBCGY-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1ccc(-c2cnc3[nH]nc(-c4ccc(O)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFOPVHPNQUBPI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(NC(N)=O)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONBTZOITFPUQHO-UHFFFAOYSA-N", "SMILES:O=C(CCCCCONC(=O)c1cc2ccccc2[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCYYHAWIHKEKFQ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCONC(=O)c1ccc2ccccc2n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMUUUIGOTZRXBG-UHFFFAOYSA-N", "SMILES:O=C(CCCCCONC(=O)c1nccc2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTFGXARJQOWLQ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCONC(=O)c1cnc2ccccc2n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDGNQLWJPVIXKO-UHFFFAOYSA-N", "SMILES:O=C(CCCCCONC(=O)c1ccc2ccccc2c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMGDHGQJJLEAPQ-UHFFFAOYSA-N", "SMILES:O=C(NO)C(c1ccc(-c2ncc(C(F)(F)F)cn2)cc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL682", "category": ["biolink:ChemicalEntity"], "name": "AMODIAQUINE", "xref": ["InChIKey:OVCDSSHSILBFBN-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O"], "synonym": ["Amodiaquine", "Amodiaquine", "Amodiaquine", "Amodiaquina", "Amodiaquin", "Amodiaquine", "Amodiaquinum", "Sunoquine", "GNF-Pf-5648", "NSC-13453", "SJ000110703"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL138623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUCYHAMXCCZFO-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cccc(Nc2ccnc3cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBVDOWKCDSPBL-UHFFFAOYSA-N", "SMILES:CC(C)C(C)Nc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUQXDHWGQINPE-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2ccc(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANAOKPHXXDXCAL-UHFFFAOYSA-N", "SMILES:Nc1ccnc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIXSIWQVJINCRY-UHFFFAOYSA-N", "SMILES:Nc1ccnc2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTXJCCGBPKUEKY-UHFFFAOYSA-N", "SMILES:Nc1cc(Cl)cc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFLIJXBMJNZQP-UHFFFAOYSA-N", "SMILES:Nc1cccc2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUOKCARPGGOSDI-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cccc(Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAMQWPAISKORLN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(C)C)c2cccc(Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHVNWBBHSXIJR-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(C)nc2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGFNYBJGIHHOGD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(C)C(C)C)c2cccc(Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNXOWTOWKDUDLX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cccc2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMBJNYSPRIYZPR-UHFFFAOYSA-N", "SMILES:O=C(O)CCCNc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNGUPQRODVPRDC-UHFFFAOYSA-N", "SMILES:Clc1ccc2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGKCMALHVTDPX-FQEVSTJZSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)CC(=O)O)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUIPFLOGBGSHGL-FERBBOLQSA-N", "SMILES:CCN(CC)CC[C@@H](CC(=O)O)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C2CCCC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZKBWITUPHZHHY-FERBBOLQSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCC2)CC(=O)O)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHDIYUADKHLSCP-FYZYNONXSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)O)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEFUGZAQGNGEGI-FERBBOLQSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCOCC2)CC(=O)O)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACDCJJKAJYKPFK-FERBBOLQSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCNCC2)CC(=O)O)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGIHJGAYUJMKFC-GMIOCVINSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2C(C)CCCC2C)CC(=O)O)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPXBNADPAKYUCV-ZBMFEAOPSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2C3CCC2CC3)CC(=O)O)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRTHDBXOXIGPBR-BDQAORGHSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCCC2)CC(=O)O)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCFZNZPXDWOEE-FTBISJDPSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCC2)CC(=O)NC2CCC2)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRIQYJXARQJMMJ-BQAIUKQQSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PERHBGAEIXKUSX-FTBISJDPSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCOCC2)CC(=O)NC2CCC2)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTFWYGDDBLDONQ-IFUPQEAVSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCN(C)CC2)CC(=O)NC2CCC2)nn1C1CCCC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKVZEMJAYZZWHK-BZEMTXRQSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2C(C)CCCC2C)CC(=O)NC2CCC2)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZRLWQLEIRFNL-ZKAKCLRBSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2C3CCC2CC3)CC(=O)NC2CCC2)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNQITFXNQSVDB-JIDHJSLPSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYYZVVXNBGYOX-QFIPXVFZSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)OC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHQAUFANQUICQB-NRFANRHFSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CC(F)(F)C2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXFEIOJIRVYRE-QHCPKHFHSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)N(C)C2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRVMSZRYQWIGBT-QHCPKHFHSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2(C)CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYFOTJNSXHQNV-QFIPXVFZSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2(C)COC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRMHTGZAVAGLH-QFIPXVFZSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2(C)CC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPVNMSTOKLCOU-QHCPKHFHSA-N", "SMILES:COCCN(C)C(=O)C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZYNODDOQNUMHU-QFIPXVFZSA-N", "SMILES:COCCNC(=O)C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOKDKMPQCBMCCM-QHCPKHFHSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)N2CC3(COC3)C2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIJUYOOMDLGIL-QFIPXVFZSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NCc2ncco2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHRYWLADGMMOB-NRFANRHFSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)Nc2nccs2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNCVMMFOAPRGAT-QFIPXVFZSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)N(C)c2nccs2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAXFWSOAIMXGIZ-IBGZPJMESA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)Nc2nnn[nH]2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELNVMWISOKLLJ-FQEVSTJZSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NCc2nnn[nH]2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVVFYCVTLHIGJD-NRFANRHFSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NCCc2nnn[nH]2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEULKBWQZVUUKD-FQEVSTJZSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)Cc2nnc[nH]2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFOGXHEHZPKPX-FQEVSTJZSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)Cc2nnco2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3817879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPULTTQFADDSLA-NRFANRHFSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)CC(=O)O)nn1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYFGOQECXZGSS-DEOSSOPVSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBCUNKIUAMVGBA-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(Oc3ccncc3-c3cnn(C)c3)cc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGASZGJFGBACDQ-UHFFFAOYSA-N", "SMILES:Cc1ncc(C(=O)Nc2ccc(Oc3ccncc3-c3cnn(C)c3)cc2)c(=O)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPJELMMQFYIPA-UHFFFAOYSA-N", "SMILES:Cc1nc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccncc2-c2cnn(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJUISJINHOPYCF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnccc2Oc2ccc(NC(=O)c3c[nH]c(=O)n(-c4ccc(F)cc4)c3=O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APZGBFNMHMOIMU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnccc2Oc2ccc(NC(=O)c3cn(C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPZKXKJIHSBNS-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)Nc2ccc(Oc3ccncc3-c3cnn(C)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNGVAOYGLVPBCQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccncc3-c3cnn(C)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNERESFDWYSUCD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnccc2Oc2ccc(NC(=O)c3cn(CC4CCOCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQQQUORQYAVTLY-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)Nc2ccc(Oc3ccncc3-c3cnn(C)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWHQCVOEPJKKJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnccc2Oc2ccc(NC(=O)c3cc4c(n(-c5ccc(F)cc5)c3=O)CCCC4=O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMLGVWILAPGKR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnccc2Oc2ccc(NC(=O)C3Cc4ccncc4N(c4ccc(F)cc4)C3=O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOYFHRIJFQWBRO-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHAUDLYXHXKSIZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMFVENKDSNGMM-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRHDQDECNQNKZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(Cl)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFNZIXUOBIIJM-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cn(C(C)C)c(=O)n(-c3ccc(F)cc3)c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVTRAJOWEPFORJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(F)c2F)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXYPOMMRRUICSR-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(-c4cnn(C)c4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYFEGCBJFIJAR-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(-c4cnn(C)c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRIOVZMHLRYSIK-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1cc(Oc2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVWRGNVFRSAAZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C5CC5)c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBIRDCMCAIABM-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(CC(C)(C)O)c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMBPBWRSQJQKW-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(CCN5CCN(C)CC5)c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQKFXLZUWIUTKH-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLYLTQSDHMTTJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSALEKEFIMXKB-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXHCXRCHSIVMSN-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALUOARTEHUZNJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDSWKWRFXBIMW-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCWLLQJBMPIAG-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"name": "Tyrosine-protein kinase receptor UFO", "xref": ["CHEMBL.TARGET:CHEMBL4879451"], "id": "UniProtKB:Q00993", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWGGNAXZPZHJF-MEDUHNTESA-N", "SMILES:C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(N)c4Cl)c(N)n3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOEFYTZABOPTQD-PXUBBKKOSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(NC(=O)CCC(=O)NCCCOCCOCCOCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)c4Cl)c(N)n3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEWUSAJPHBVLOD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHOFEKDBPRRKV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)[nH]3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKLBECNVUXSJN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Cc1cccc(-c3cc(O)nc(N4CCOCC4)n3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTHSFBLSRZUQW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)nc(O)n3)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUYFIBMHLLMSL-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2CCCC2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUYFIBMHLLMSL-QGZVFWFLSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2CCC[C@@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJVQWARGSDQRCL-GOSISDBHSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2CCCC[C@@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNGURVIOIZXRF-LJQANCHMSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2CCCCC[C@@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQPXVJIBLLKDW-KRWDZBQOSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2CCC(F)(F)[C@@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZIMJPCYKSLDOJ-MSOLQXFVSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2CC[C@@H](F)[C@@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYNSVCRNXNYNU-RBUKOAKNSA-N", "SMILES:CO[C@@H]1CCN(c2cc(N3CCOCC3)cc(=O)[nH]2)[C@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZLLSBHPQYLGLH-WDSOQIARSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2C[C@@H]3C[C@@H]3[C@@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZLLSBHPQYLGLH-QRQLOZEOSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2C[C@H]3C[C@H]3[C@@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZDFDZUZTQDDOL-MRXNPFEDSA-N", "SMILES:Oc1cc(N2CCC[C@@H]2Cc2ccccc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUHOMYHDNTHRG-MRXNPFEDSA-N", "SMILES:Oc1cc(N2CCOCC2)nc(N2CCC[C@@H]2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMAXCDSINZOJPZ-GOSISDBHSA-N", "SMILES:O=c1cc(N2CCOCC2)nc(N2CCCCC[C@@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPNWCRJDKXNCJ-UYAOXDASSA-N", "SMILES:C[C@@H]1CN(c2cc(N3CCCCC[C@@H]3Cc3ccccc3)[nH]c(=O)c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCDJBGHHAEAMF-IEBWSBKVSA-N", "SMILES:C[C@@H]1CN(c2cc(=O)[nH]c(N3CCCCC[C@@H]3Cc3ccccc3)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKKBGHFJIZIAB-QOJCHSLYSA-N", "SMILES:C[C@@H]1CN(c2cc(N3C[C@H]4C[C@H]4[C@@H]3Cc3ccccc3)[nH]c(=O)c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVVLNFCQHKOZRL-ZACQAIPSSA-N", "SMILES:O=c1cc(N2CCOCC2)nc(N2C[C@H]3C[C@H]3[C@@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KREZBWKMMRSYDH-DDBAPUKQSA-N", "SMILES:C[C@@H]1CN(c2cc(=O)[nH]c(N3C[C@H]4C[C@H]4[C@@H]3Cc3ccccc3)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKKBGHFJIZIAB-LQJIQPLVSA-N", "SMILES:C[C@@H]1CN(c2cc(N3C[C@@H]4C[C@@H]4[C@@H]3Cc3ccccc3)[nH]c(=O)c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVVLNFCQHKOZRL-ULQDDVLXSA-N", "SMILES:O=c1cc(N2CCOCC2)nc(N2C[C@@H]3C[C@@H]3[C@@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KREZBWKMMRSYDH-UBDQQSCGSA-N", "SMILES:C[C@@H]1CN(c2cc(=O)[nH]c(N3C[C@@H]4C[C@@H]4[C@@H]3Cc3ccccc3)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFIHIWNXSZYOH-WBVHZDCISA-N", "SMILES:C[C@@H]1CCN(c2nc(N3CCOCC3)cc(=O)[nH]2)[C@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKVYOXYSCXKMS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)n3C)c1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUYFIBMHLLMSL-KRWDZBQOSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2CCC[C@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCLCZKFOUHIBA-WJDWOHSUSA-N", "SMILES:Cc1c(NC(=O)CCN2CCCC2)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBIIQUVWVDRMLM-ODDCISTRSA-N", "SMILES:Cc1c(NC(=O)[C@@H]2CCCN2)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSNPPAGUCDPQX-ZROIWOOFSA-N", "SMILES:Cc1c(NC(=O)C2CCCCN2)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJAACSCQLCJDQU-DHDCSXOGSA-N", "SMILES:Cc1c(NC(=O)CN2CCCC2)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIPNPZVGBZKVPK-DHDCSXOGSA-N", "SMILES:Cc1c(NC(=O)CC2CCCN2)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJXFFBARAWLTL-YBEGLDIGSA-N", "SMILES:Cc1c(NC(=O)CN2CCN(C)CC2)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTPAVASCLOUPBK-QPEQYQDCSA-N", "SMILES:Cc1c(NC(=O)CN(C)C)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYXIUGOEMLIFBN-ATVHPVEESA-N", "SMILES:Cc1c(NC(=O)CCN2CCCCC2)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQFSSEZMJGLXCA-ATVHPVEESA-N", "SMILES:Cc1c(NC(=O)CCN2CCN(C)CC2)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXNUHDFXODKRG-WJDWOHSUSA-N", "SMILES:CCN(CC)CCC(=O)Nc1c[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEZYZZDNCCVRQZ-ZROIWOOFSA-N", "SMILES:Cc1c(NC(=O)CCN(C)C)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGCFJROIVKJUBM-ZROIWOOFSA-N", "SMILES:CCNCCC(=O)Nc1c[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDVNZLTGAMUAK-GDNBJRDFSA-N", "SMILES:CCCNCCC(=O)Nc1c[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJYLJTUCCHYPIX-GDNBJRDFSA-N", "SMILES:Cc1c(NC(=O)CCNC(C)(C)C)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUXENPCOUONPJ-BOPFTXTBSA-N", "SMILES:Cc1c(NC(=O)CCNC2CCCC2)c[nH]c1/C=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJAWOSIOQNSSO-MSOLQXFVSA-N", "SMILES:CCC[C@@H](NC(=O)c1oc(C)nc1C)C(=O)N[C@@H](CCCc1ccccc1)B(O)O"]}
{"name": "Lon protease homolog, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4879436"], "id": "UniProtKB:P36776", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWGWTZQJAKQSSR-YPMHNXCESA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H](CCC)NC(=O)c1cnccn1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRYWZMHIBCAQB-ZBFHGGJFSA-N", "SMILES:CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](Cc1ccccc1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORQJKKUSKPCKKZ-WBVHZDCISA-N", "SMILES:CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CCc1ccccc1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQVGVMZECCPAT-AEFFLSMTSA-N", "SMILES:CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CCCc1ccccc1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STKMZKZRHPKSNS-ZBFHGGJFSA-N", "SMILES:CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILENEQWIGPQYCQ-QUCCMNQESA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)B(O)O)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZIILNFYPSLFR-CTNGQTDRSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)B(O)O)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCVLFKVFQVTPX-IRLDBZIGSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCc1ccccc1)B(O)O)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYUVSZLFROFDH-AEFFLSMTSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCCBr)B(O)O)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSAWTEKLWVXVJP-MJGOQNOKSA-N", "SMILES:CC(C)CCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKWSBIBETQJWIR-QUCCMNQESA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)B(O)O)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POTDAHISVTUFQY-NSHDSACASA-N", "SMILES:CC(C)C[C@H](NC(=O)C(C)(C)NC(=O)c1cnccn1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNOIFOLTDCGUJG-WBVHZDCISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cnccn1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCXTZPXHARNLZ-STQMWFEESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)(C)C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJZWEXIMVOHJRW-QWHCGFSZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYJROBYUUYPCNR-OCCSQVGLSA-N", "SMILES:CCCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC(C)C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCJPDLBYWWFFZ-YPMHNXCESA-N", "SMILES:CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC(C)C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWYMFBIYGAXGZ-PWSUYJOCSA-N", "SMILES:CC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC(C)C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPFKHKSTANNMRY-KOLCDFICSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)c1cnccn1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJABQQUPOEUTA-WBVHZDCISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJABQQUPOEUTA-NVXWUHKLSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL524664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJABQQUPOEUTA-DOTOQJQBSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O"], "chembl_natural_product": true}
{"name": "Cobalamin trafficking protein CblD", "xref": ["CHEMBL.TARGET:CHEMBL4879517"], "id": "UniProtKB:Q9H3L0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJRAWABZLHXTMT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)CCCc3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHYMIQFEMWWEMC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCCc3cc(-c4cc[nH]n4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCEXHGZSELIQJR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)CCCCN2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWPHBLBRYXQSJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)CCCCN2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWGJBRYPUNDFFF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCc3cc(Cl)ccc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJZCZOCHLRGXLE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(C(=O)N2CCCc3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZOKLQVFRUCLC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCc3cc(Cl)c(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOJVBRCAEOFWNA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCc3cc(Cl)c(F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZACMBRKMPZKSA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCc3cc(F)c(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAVFIULZDIDPMU-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)CCc3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNISZNNEPJHZEF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCc3cc(-c4cc[nH]n4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRFMDXMQBRKKOA-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)CCCN2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADATZYAMKRYURV-UHFFFAOYSA-N", "SMILES:CC(c1ccc(C(=O)NO)cc1)N1CCCc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSMNNUIAFKAWCZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(C(=O)N2CCCc3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPUBTPSDQKZSP-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2cc(Cl)ccc2N1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBEQGZLGWWZPPB-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2cc(F)ccc2N1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHQCFPSGXOOKAL-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(C(=O)NO)cc2)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSIYEUXIKUUSS-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQVDRCWYKLNRPA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEUWQPUASIVOKC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCCc3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJFUWDPIOTPKO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)CCc3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJNVHNJQZWOLAZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)CCc3cc(C4CC4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXGDTBMYGOOZOG-UHFFFAOYSA-N", "SMILES:CCCc1ccc2c(c1)CCC(=O)N2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNGSSINWOHDIOW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)CCCN2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMAMDXBXQJIVJC-BWAHOGKJSA-N", "SMILES:CCC(C(=O)O)n1/c(=N/C(=O)c2cccc(C(F)(F)F)c2)sc2cc(F)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWJTFKLFFDQAD-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(Cc2ccc(C(=O)O)cc2)c2nc3cccnc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016757", "category": ["biolink:ChemicalEntity"], "name": "GS-441524", "xref": ["InChIKey:BRDWIEOJOWJCLU-LTGWCKQJSA-N", "SMILES:N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O"], "synonym": ["Gs 441524", "Gs-441524", "Gs441524"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUADFEIIDXPYEK-LTGWCKQJSA-N", "SMILES:C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOBXNRJISYWUOA-VUXODMRMSA-N", "SMILES:C#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3120779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKHUQNPPFVKTI-DXLKZPDWSA-N", "SMILES:C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBGWKDHQIRVFSD-OAHLLOKOSA-N", "SMILES:COc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@H](C)C(=O)N3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYKPXQHBDCCJGF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(C)cc(C)n3c2NC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSVFSFANRADMJV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4c(C)noc4C)ccn3c2NC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBNDHGHZZZYIT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUDPFRWAMPCZCO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4c(C)noc4C)ccn3c2NCC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZVUGZIPXXWGMO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(C)cc(C)n3c2NC(C)(C)CC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJMRILPGVDQRY-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccn2c(NCC(=O)OC(C)(C)C)c(CCc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBPYYXZKNCKVSZ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLALWPAQHCINZ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccn2c(NC34CC5CC(CC(C5)C3)C4)c(CCc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDWWUZIYFALLN-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(-c3ccn4c(NC5CCCCC5)c(CCc5ccccc5)nc4c3)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBADSYAFZBXNCZ-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc2cc(-c3ccn4c(NC5CCCCC5)c(CCc5ccccc5)nc4c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNAUZNWABLQQX-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccn2c(NC(C)(C)CC(C)(C)C)c(CCc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIAKGSNTZVUGML-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccn2c(NC(C)(C)C)c(CCc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJQDPCFXDGJBS-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELCCBYYCQBITD-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCFKYUXDNTZAE-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJXSCGMFHZBCZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNKTZQXUTDLHTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYYCXCROSXTBJD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWRGIDCPPODFCD-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVBFDOPCRBXGNC-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYYQCEWBMBDJOA-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NCc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZXSWCLCRDCHGN-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQHDQWZFZLQMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXPMEUHQDXJHAB-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFHPOBBAWLVQAT-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC(C)(C)CC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTXGKSWGXYFJSG-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC(C)(C)CC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHABFUIVPBXKSW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSXFEKLSWSNPJW-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLQVCVCZGQPAH-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC(C)(C)CC(C)(C)C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLQORKQXLLCXHC-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVEFPHKFXBBFEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPCCNYNZXFPIJ-UHFFFAOYSA-N", "SMILES:Cc1noc2cc(-c3ccn4c(NC5CCCCC5)c(CCc5ccccc5)nc4c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJRNVKXQTFYPOB-DNAHZZCBSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3ccc(N4CCN(C(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)CC4)cc3)c(NC3CCCCC3)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNPFAVLEASBJZ-UHFFFAOYSA-N", "SMILES:Clc1cnc(CNc2ccc3sncc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFAKEEVLFSLZPW-UHFFFAOYSA-N", "SMILES:Clc1cnc(CNc2ccc3cnsc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNMKESSHVFPQM-UHFFFAOYSA-N", "SMILES:Clc1cnc(CNc2cc3sncc3cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXQQACCIRYIGEE-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CNc1ccc(Cl)cc1F"]}
{"name": "Transient receptor potential cation channel subfamily M member 5", "xref": ["CHEMBL.TARGET:CHEMBL1628468"], "id": "UniProtKB:Q9NZQ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSSDJSDSVXAGMG-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CNc1ccc2sncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJNUCSIFPQKCB-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CN1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACWJOIPBDCZNCU-UHFFFAOYSA-N", "SMILES:Cn1ccnc1CNc1ccc(Cl)cc1OCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQJDHTGRGCEAFC-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CN1CC(CO)Cc2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXRAXQAAFCQNHZ-UHFFFAOYSA-N", "SMILES:CCN(Cc1ncc(Cl)n1C)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYBXGPDEFIOLB-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CNc1ccc2oncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWHNVQFVMYMSIV-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CNc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCVLFGYRQGWDBZ-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CNc1ccc2c(cnn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPFSDKFZMHFKFW-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CNc1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USCYYGZYUXVARB-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CNc1ccc2ocnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOUDFQWCGUQFID-UHFFFAOYSA-N", "SMILES:Cn1ccnc1CNc1ccc2sncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTYBCHLYHXFFE-UHFFFAOYSA-N", "SMILES:Cn1c(Br)cnc1CNc1ccc2sncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNQBSCAAQLKBDF-UHFFFAOYSA-N", "SMILES:Clc1snnc1CNc1ccc2sncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIKQNPILWSMUKK-UHFFFAOYSA-N", "SMILES:Cc1nnc(CNc2ccc3sncc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXJAMUDKKKSEJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(CNc2ccc3sncc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAHGVMYLKZPBTP-UHFFFAOYSA-N", "SMILES:Cc1cnc(CNc2ccc3sncc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMIFOAKGVITKQZ-UHFFFAOYSA-N", "SMILES:c1csc(CNc2ccc3sncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDDABZHSWGBIF-UHFFFAOYSA-N", "SMILES:CN(Cc1ncc(Cl)n1C)c1ccc2sncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGSQMMWQJYNXFB-UHFFFAOYSA-N", "SMILES:CN(Cc1ncc(Cl)s1)c1ccc2sncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVDFZIOWOXRSB-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CN(CC1CC1)c1ccc2sncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDFQBDNNEPLKFI-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1ncc(Cl)n1C)c1ccc2sncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXIHWPZDZOEGL-UHFFFAOYSA-N", "SMILES:CCN(Cc1ncc(Cl)n1C)c1ccc2sncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFYZUKGYHMTWHK-UHFFFAOYSA-N", "SMILES:CC(Nc1ccc2sncc2c1)c1ncc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWMWFXIRANPUCP-UHFFFAOYSA-N", "SMILES:Clc1cnc(COc2ccc3sncc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJXXRCZWSZKLV-UHFFFAOYSA-N", "SMILES:Cc1cc2sncc2cc1NCc1ncc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPLTCNFOGMNIH-UHFFFAOYSA-N", "SMILES:Clc1cnc(CNc2cc3cnsc3cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOSNWMXNQHRIB-UHFFFAOYSA-N", "SMILES:Fc1cc2sncc2cc1NCc1ncc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSCJBVQNIWJFD-UHFFFAOYSA-N", "SMILES:Clc1cnc(CNc2cc3cnsc3cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLCLXHVUTDAUBP-UHFFFAOYSA-N", "SMILES:Cc1c(NCc2ncc(Cl)s2)ccc2sncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFSNMBDCPUFPG-UHFFFAOYSA-N", "SMILES:Clc1cnc(CNc2ccc3sncc3c2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROQRTFBKJUFBO-UHFFFAOYSA-N", "SMILES:Fc1c(NCc2ncc(Cl)s2)ccc2sncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZORXTSHTMZYTN-UHFFFAOYSA-N", "SMILES:Clc1cnc(CNc2ccc3sncc3n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBZTFPNBVRYSE-UHFFFAOYSA-N", "SMILES:Fc1cc(NCc2ncc(Cl)s2)cc2cnsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYLXDXYJYZJBH-UHFFFAOYSA-N", "SMILES:Clc1cnc(CNc2cnc3sncc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTVNJSNLFFXCX-UHFFFAOYSA-N", "SMILES:CN(Cc1ncc(Cl)s1)c1cc2cnsc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNEHWLWQYWMSLS-UHFFFAOYSA-N", "SMILES:CN(Cc1ncc(Cl)s1)c1cc2cnsc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPAXBOAHBYNOBK-UHFFFAOYSA-N", "SMILES:Cc1cc2sncc2cc1N(C)Cc1ncc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNBYWRBOEGWQIL-UHFFFAOYSA-N", "SMILES:Clc1cnc(CNc2cccc3cnsc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWFMMHKFQNNJJJ-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CNc1cc2sncc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJDPXBCBVGHKHI-UHFFFAOYSA-N", "SMILES:Cc1cc2cnsc2cc1NCc1ncc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZQXKXJERDZREJ-UHFFFAOYSA-N", "SMILES:Fc1cc2cnsc2cc1NCc1ncc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYELJNJNIQCTHQ-UHFFFAOYSA-N", "SMILES:Cc1cc2cnsc2cc1NCc1ncc(Cl)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDQCMVSTKSJSE-UHFFFAOYSA-N", "SMILES:CN(Cc1ncc(Cl)n1C)c1ccc2cnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKJZPQKGGSLMB-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CNc1cc2sncc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBPISBAJMPIBS-UHFFFAOYSA-N", "SMILES:Cn1c(Cl)cnc1CNc1ccc2cnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAUMNHSCSWCGEQ-UHFFFAOYSA-N", "SMILES:CN(Cc1ncc(Cl)n1C)c1cc2sncc2cc1Cl"]}
{"name": "Transient receptor potential cation channel subfamily M member 5", "xref": ["CHEMBL.TARGET:CHEMBL3886124"], "id": "UniProtKB:Q9JJH7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Transient receptor potential cation channel subfamily M member 4", "xref": ["CHEMBL.TARGET:CHEMBL1628469"], "id": "UniProtKB:Q8TD43", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1040", "category": ["biolink:ChemicalEntity"], "name": "CALCIFEDIOL ANHYDROUS", "xref": ["InChIKey:JWUBBDSIWDLEOM-DTOXIADCSA-N", "SMILES:C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12"], "synonym": ["25-hydroxycholecalciferol (calcifediol)", "Calcifediol anhydrous", "Calcifediol, anhydrous", "Calcifediol,anhydrous"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4858414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNNQYYDSDRXRKY-OMKKUIRNSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3CCCCC3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFDYPJCCXMFHA-XWVRFCGMSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/CSc3nc4ccccc4s3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVODZAXTZIYSLS-RRLPNCMISA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/CN3C(=O)c4ccccc4C3=O)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNYPQWPWWQWRB-MIZNSZJGSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/CNc3ccccc3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKQXKLCYNSJWPU-TVAYYTDKSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3cnnn3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVQKHWJYOMHMOB-TVAYYTDKSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3ncnn3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPXTBCGTQWLAY-VMGJGQMRSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnc(-c4ccccc4)n3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPKXCDJCNYBCPO-VMGJGQMRSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnnc3-c3ccccc3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODDCDLQIKOHBX-CUUODNBASA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3cc(-c4ccccc4)nn3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJVOKYSAXDJNB-HIMNENMLSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3cc(-c4ccccn4)nn3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTTAEALJTBSYHH-IDOHOULXSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3cc(-c4cccs4)nn3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHKSSNGGYOULGH-UQMQRYHPSA-N", "SMILES:CCCCc1cn(C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVULDHDDSXDKPW-BVQPTJGISA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3cc(CCCCO)nn3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIJZPSUREMMJPZ-GJKMPTMXSA-N", "SMILES:C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/Cn3cc(-c4ccc(F)cc4)nn3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKGRPFBWDMNIRU-ASJZLFTCSA-N", "SMILES:C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3cc(-c4ccc(F)cc4)nn3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZEBRGSTTMHWNI-LKTCRAKLSA-N", "SMILES:C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnc(-c4ccc(F)cc4)n3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDQTJVUBATLJT-LKTCRAKLSA-N", "SMILES:C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnnc3-c3ccc(F)cc3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFMUZPUTXAFRD-KWGQGYHHSA-N", "SMILES:C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnnc3-c3ccccc3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWAXXHRQPWGNTG-UHFFFAOYSA-N", "SMILES:CCCc1cc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUMGXOXXFKMTR-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1"]}
{"name": "Sterol regulatory element-binding protein cleavage-activating protein", "xref": ["CHEMBL.TARGET:CHEMBL4879458"], "id": "UniProtKB:Q12770", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMPVISSINVHDKH-LJAQVGFWSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](C(=O)N(Cc3ccc(-c4cccs4)cc3)C3CC3)C2)c1)C(=O)NS(=O)(=O)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPLTDWGHRKKEO-UGSSXAJASA-N", "SMILES:CCCC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHTSRULCJGSEII-UHFFFAOYSA-N", "SMILES:NCCNCc1nccn1-c1ccc(-c2nc(CCc3ccc4ccccc4c3)cs2)c(OCCN2CCNC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGXNVHTJKMDKA-UHFFFAOYSA-N", "SMILES:NCCNCc1nccn1-c1ccc(-c2nc(CCc3ccc(-c4ccccc4)cc3)cs2)c(OCCN2CCNC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGLILQGCHLNKCU-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(CCc4ccccc4)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUNZAGPVRQSQDI-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(CCc4ccc5ccccc5c4)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLGHGRRTKGFYQM-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(CCc4ccc(-c5ccccc5)cc4)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWKBPUSWGIOKZ-UHFFFAOYSA-N", "SMILES:NCCCc1cn(-c2ccc(-c3nc(CCc4ccccc4)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPBAEFRMSINFY-UHFFFAOYSA-N", "SMILES:NCCCc1cn(-c2ccc(-c3nc(CCc4ccc(-c5ccccc5)cc4)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJPVKQMTPDNAIH-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cc(CCCCN)nn2)ccc1-c1nc(CCc2ccccc2)cs1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBIDFHBORLYDO-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cc(CCCCN)nn2)ccc1-c1nc(CCc2ccc(-c3ccccc3)cc2)cs1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAUUDPBUVPGET-UHFFFAOYSA-N", "SMILES:CC(C)Oc1csc(-c2ccc(-n3cc(CCCCN)nn3)cc2OCCN2CCNC2=O)n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBNDKGMKBSNDL-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1csc(-c2ccc(-n3cc(CCCCN)nn3)cc2OCCN2CCNC2=O)n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCMDYXPLHXUXLV-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(-c4ccccc4)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXCUKKVEWXIWDV-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(Cc4ccccc4)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLHTUEKGVXLWSX-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(CCCc4ccccc4)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUWWXWHRTMTBOH-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(-c4ccc5c(c4)CCCN5)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMUICROIBDLGM-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(-c4ccc5c(c4)OCC5)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUPPSOPBXBIBRZ-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVHJTRGHNHACL-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)s3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGUUNXZCRFJPM-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)s3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQJVAJYYFXPLZ-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(-c4ccc(Oc5ccccc5)cc4)c(-c4ccccc4)s3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGKRWPSJHVJDC-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(CCc4ccc(-c5ccccc5)cc4)c(-c4ccccc4)s3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMQGQOFBEYIVRY-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(CCc4ccc(Oc5ccccc5)cc4)c(-c4ccccc4)s3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXELEDFZDMIGOY-UHFFFAOYSA-N", "SMILES:NCCCCc1cn(-c2ccc(-c3nc(-c4cccc(-c5csc(-c6ccc(-n7cc(CCCCN)nn7)cc6OCCN6CCNC6=O)n5)c4)cs3)c(OCCN3CCNC3=O)c2)nn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPKVDKXOGMODLR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3ccccc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAHNFGYWMWNXMR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3ccccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFDWRLTLKILOG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3ccccc3Br)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUUHZSUFELYSFH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNIFDTBECNWNMD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(Cl)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJCYQRAPOOEAZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(Br)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRVWWNNJZKKDI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPSPCQWXDMKTQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3ccc(Cl)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUSOGLAMYNKBI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3ccc(Br)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVMTTWTTMSDAL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3ccccc3OC)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZFDAXZSSBHTJX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXLHQWUQADBECR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFVMXAHKAHLBEP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEUMOHHKIQFLOI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3[N+](=O)[O-])n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBTUIXJYMXWAY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(N)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCBBVZAWSDCLU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc(N)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZKCTWNUCVKGCB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3OC)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYDUUSDYVOGJW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc(OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIEOYHSTTUPANT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOZATJKUVSSBF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(OC)c(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTBCDUZQIJRCLF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(OC)c(Cl)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHPGUOMVGQWMX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(NC(C)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPGYGIZWUSTKS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(NS(C)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMTMDRNLWWDPJZ-UHFFFAOYSA-N", "SMILES:COC(=O)CCOc1ccc2c(c1)[nH]c1c(C)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVSUIWCFAOGVGC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(cn1)[nH]c1cc(F)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKCNSXWGOKCJPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccc2c1[nH]c1cc(F)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYJXUCPYIUCCTA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccc2c1[nH]c1cc(Cl)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPLCWDZDBTDRF-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccc2c1[nH]c1cc(OC(F)(F)F)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHKJWHZHKPBLD-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccc2c1[nH]c1cc(C(F)(F)F)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBGIVOWKCHCMJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZKMAGOGKGRQD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSSVRYMQCYXOP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAYXXMYGEZYKCF-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSDMIBFNQMFIW-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBKJRPFUSUPDA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccc2c1[nH]c1cc(-c3ccccc3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPHPYJQWFEWIN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACRYPFBNYMEDTL-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXEJSOQJXKEINS-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKHMZCMKHPHFOT-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2C1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTDHYMSVCBGQJF-UHFFFAOYSA-N", "SMILES:O=c1cc(C(Cl)(Cl)Cl)oc2ccc(Cl)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4876754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POPXHOFVHSBKLT-ACHIHNKUSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCc1nc(N)sc1Sc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFAPWZBVVKJSOZ-YDAXCOIMSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCc1nc(N)sc1-c1cccc(OCc2ccccc2)c1)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAWMKELKXPIWDT-UWXQCODUSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCc1nc(N)sc1-c1ccccc1OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKKLOLMBTBJGEH-ZPGRZCPFSA-N", "SMILES:CCCCOc1cccc(-c2sc(N)nc2CCOCP(=O)(N[C@@H](Cc2ccccc2)C(=O)OC(C)C)N[C@@H](Cc2ccccc2)C(=O)OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUQPOSGVFIGGGB-HEVIKAOCSA-N", "SMILES:COc1cc(OC)cc(-c2sc(N)nc2CCOCP(=O)(N[C@@H](Cc2ccccc2)C(=O)OC(C)C)N[C@@H](Cc2ccccc2)C(=O)OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUANDVDEEDKJNY-HEVIKAOCSA-N", "SMILES:COc1ccc(-c2sc(N)nc2CCOCP(=O)(N[C@@H](Cc2ccccc2)C(=O)OC(C)C)N[C@@H](Cc2ccccc2)C(=O)OC(C)C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTLGKKGJLAWRMY-PXLJZGITSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCc1nc(N)sc1-c1cccc(OC(C)C)c1)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOYUDHRZQSJQP-ACHIHNKUSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCc1nc(N)sc1-c1cccc(F)c1)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFMTVXXQCSBPJ-CONSDPRKSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCc1nc(N)sc1-c1cccnc1)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREXRDMNQBQGIG-ACHIHNKUSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCc1nc(N)sc1-c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFUBHGSOJSPPO-LQJZCPKCSA-N", "SMILES:CNC(=O)c1ccc(-c2sc(N)nc2CCOCP(=O)(N[C@@H](Cc2ccccc2)C(=O)OC(C)C)N[C@@H](Cc2ccccc2)C(=O)OC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUXXUDUSRSICQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2sc(N)nc2CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJVDCOOTWYMFRR-UHFFFAOYSA-N", "SMILES:Nc1nc(CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)c(-c2cccc(OCc3ccccc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSCWYDGUJKNEW-UHFFFAOYSA-N", "SMILES:Nc1nc(CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)c(-c2ccccc2OCc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROEVHONECZUVHP-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2sc(N)nc2CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRJSNOKUSBFGMJ-UHFFFAOYSA-N", "SMILES:Nc1nc(CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)c(-c2cccc(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEAALSNIAOKAF-UHFFFAOYSA-N", "SMILES:CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)OP(=O)(O)OP(=O)(O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162433", "category": ["biolink:ChemicalEntity"], "name": "ADEFOVIR DIPHOSPHATE", "xref": ["InChIKey:MELHEUHXJKQZNC-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O"], "synonym": ["Adefovir diphosphate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZSBUEFOZQDGFE-UHFFFAOYSA-N", "SMILES:Cn1c(SCCCCCC(=O)O)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDLOUVHDFHRGFU-UHFFFAOYSA-N", "SMILES:CCn1c(SCCCCCC(=O)O)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJJJXMQCCVQAB-UHFFFAOYSA-N", "SMILES:C=CCn1c(SCCCCCC(=O)O)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRGNNSUQLCKLH-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCSc1nnc(-c2ccncc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDWKBVQIOSZLN-UHFFFAOYSA-N", "SMILES:Cn1c(SCCCCCC(=O)NO)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGWEAFTUHCIBF-UHFFFAOYSA-N", "SMILES:CCn1c(SCCCCCC(=O)NO)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTUDEIWRPCQIEU-UHFFFAOYSA-N", "SMILES:Cn1c(SCCCCCC(=O)Nc2ccccc2N)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNCARDFKOBXULC-UHFFFAOYSA-N", "SMILES:C=CCn1c(SCCCCCC(=O)Nc2ccccc2N)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSWCBPSVCFPIC-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCSc1nnc(-c2ccncc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXUJLQAZYXZIX-UHFFFAOYSA-N", "SMILES:Cn1c(SCc2ccc(C(=O)NO)cc2)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLWNIOZDEQOURO-UHFFFAOYSA-N", "SMILES:C=CCn1c(SCc2ccc(C(=O)NO)cc2)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPVWFFDSBZXNO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXGJQWKDBCQOO-UHFFFAOYSA-N", "SMILES:Cn1c(SCc2ccc(C(=O)Nc3ccccc3N)cc2)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGMSTGHAUPHKC-UHFFFAOYSA-N", "SMILES:C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3N)cc2)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMOJBOUNVLNMG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBHOPFXYPZVHFF-UHFFFAOYSA-N", "SMILES:C=CCn1c(SCCCCCC(=O)NO)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPNODGKFPVJDMW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCSc1nnc(-c2ccncc2)n1-c1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNEWKJKRMLCCAK-UHFFFAOYSA-N", "SMILES:CCn1c(SCCCCCC(=O)Nc2ccccc2N)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXXUSBGSTRTBJM-UHFFFAOYSA-N", "SMILES:CCn1c(SCc2ccc(C(=O)NO)cc2)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAHMIDOLNHMSPZ-UHFFFAOYSA-N", "SMILES:CCn1c(SCc2ccc(C(=O)Nc3ccccc3N)cc2)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVFGGLVFQYUWSH-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBOGAQDZECLNCJ-UHFFFAOYSA-N", "SMILES:CC(O)c1ccc(CNS(=O)(=O)c2cc(C(=O)O)c(NCc3ccco3)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUDFPBSUMENPA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMNQGSLOIJRIT-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFMSCVAPMJLRKE-UHFFFAOYSA-N", "SMILES:CC(NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARUQWNGEHYWTPK-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHRCWHCEMJJBSH-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBLKGIRUBBUMIY-UHFFFAOYSA-N", "SMILES:CCCCCCNS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGDDISMOKXBCG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)c(Cl)cc1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZKVYSGXVMEYGT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)c(Cl)cc1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWHRUSAPNBXCV-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(C(=O)O)c(NCC2CCCO2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKZYFFYQQJAMV-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(CO)c(NCc2ccco2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXVVEPHOJILHNA-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(C(=O)OC)c(NCc2ccco2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBOBHDHNFBNLQ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(C(N)=O)c(NCc2ccco2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXPVQXFSWFIDM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(S(=O)(=O)NC)c(Cl)cc1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAYXYSXXUSKOQO-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(C(=O)N(C)C)c(NCc2ccco2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUWZCWMFPOSICA-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2ccco2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDWVIQFZOQVPY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCDLJKHOCNEKQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Br)cc1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWMEPFMVTUUBE-UHFFFAOYSA-N", "SMILES:OC(c1ccc(F)cc1NCc1ccco1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLRWZCPJHMVZNN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)C(F)(F)F)c(NCc2cscn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKWRIQRJZKABJ-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1NCc1ccco1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMCRDSJZYAUJSF-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Br)cc1NCc1ccco1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHTFEUZQHUMEIG-UHFFFAOYSA-N", "SMILES:Cc1nc2c(Br)cc(Br)cc2c(=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIFLWQJQRFRRR-DEOSSOPVSA-N", "SMILES:COc1ccc2cc(-c3ccc4c(c3)OCO4)n([C@H](COc3ccc([N+](=O)[O-])cc3)OC)c(=O)c2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIFLWQJQRFRRR-XMMPIXPASA-N", "SMILES:COc1ccc2cc(-c3ccc4c(c3)OCO4)n([C@@H](COc3ccc([N+](=O)[O-])cc3)OC)c(=O)c2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YILIDCGSXCGACV-SQKFTNEHSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"name": "Tissue alpha-L-fucosidase", "xref": ["CHEMBL.TARGET:CHEMBL4176"], "id": "UniProtKB:P04066", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGPOOBFYIUSBSB-VIQJULRUSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXKTYWNFGQFEDZ-AJZCHSMESA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)O[C@H]1NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXZKIALQQJIQCG-UHFFFAOYSA-N", "SMILES:O=c1cc(Sc2ccc(F)cc2)[nH]c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSZWPLGRDZACV-UHFFFAOYSA-N", "SMILES:O=c1cc(Sc2ccc([N+](=O)[O-])cc2)[nH]c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKJJCMTYSYKGC-UHFFFAOYSA-N", "SMILES:O=c1cc(Sc2cccc(F)c2)[nH]c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNLZZMFZLWRDO-UHFFFAOYSA-N", "SMILES:COc1cccc(Sc2cc(=O)n(O)c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WASHGBPAFJXGSM-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2ccc(F)cc2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSVALDPLVYFTO-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2ccc(Cl)cc2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLKLLHZWUFVIBN-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2ccc(Br)cc2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYWTULCEFDDRG-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2ccccc2Br)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBJYMFFQTLETDL-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2ccccc2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUJHVJXBOSJSG-UHFFFAOYSA-N", "SMILES:COc1cccc(Sc2cc(=O)n(O)c(=O)n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUHJQYOGVJEOQ-UHFFFAOYSA-N", "SMILES:CCc1ccc(Sc2cc(=O)n(O)c(=O)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLHVIPWZMISNDN-UHFFFAOYSA-N", "SMILES:CCc1ccccc1Sc1cc(=O)n(O)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEUGOQVGYWWYKB-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2cccc3ccccc23)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RODKQXMXHYNASN-UHFFFAOYSA-N", "SMILES:CCn1c(Sc2ccc(F)cc2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVCQQZMBSCTZSW-UHFFFAOYSA-N", "SMILES:CCn1c(Sc2ccc(Cl)cc2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTUFHXPFTMWWGO-UHFFFAOYSA-N", "SMILES:CCn1c(Sc2ccc(Br)cc2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONKMLPDTUPNND-UHFFFAOYSA-N", "SMILES:CCn1c(Sc2cccc(Cl)c2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBQYISDTPZSOL-UHFFFAOYSA-N", "SMILES:CCn1c(Sc2cccc(Br)c2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBYJXUBATXIVHS-UHFFFAOYSA-N", "SMILES:CCn1c(Sc2ccccc2Br)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPPQLJFSXHEYAH-UHFFFAOYSA-N", "SMILES:CCn1c(Sc2ccccc2F)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLHZCZYVZCUNFO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(Sc3cc(=O)n(O)c(=O)[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQCAWVZNGUPNL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(Sc3cc(=O)n(O)c(=O)[nH]3)cc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWNGNXCNIMNVGU-UHFFFAOYSA-N", "SMILES:O=c1cc(Sc2cccc(-c3ccc(Cl)cc3)c2)[nH]c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYNYDSNUUUHSX-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2cccc(F)c2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWAIONPMFPQRQA-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2cccc(Cl)c2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUSFFVHLSSQGKR-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2cccc(Br)c2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJRCPADOMHBLMF-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2ccc(C(F)(F)F)cc2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFOKIZSTYSAQFD-UHFFFAOYSA-N", "SMILES:Cn1c(Sc2cccc(C(F)(F)F)c2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQXLQCSUYBZRK-UHFFFAOYSA-N", "SMILES:CCn1c(Sc2cccc(F)c2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSKTSHAXSPBHX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(Cl)c(F)c2)cc(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMKMCARNBUSHS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cccc(Nc3cc(=O)n(O)c(=O)[nH]3)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKWPGKFSDNUEQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(Nc3cc(=O)n(O)c(=O)n3C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CARJYFYEXCDIMP-LKFCYVNXSA-N", "SMILES:CC(C)c1cc2c(c(CO)c(=O)c1)[C@H](O)C[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFGYEZDRJAOLY-UHFFFAOYSA-N", "SMILES:COc1c(OC(C)C)cc2oc(-c3csc4ccccc34)c(O)c(=O)c2c1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDKGOFGCWXEBCM-UHFFFAOYSA-N", "SMILES:COc1c(OC(C)C)cc2oc(-c3csc4ccccc34)c(O)c(=O)c2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463088", "category": ["biolink:ChemicalEntity"], "name": "BLUMENOL A", "xref": ["InChIKey:KPQMCAKZRXOZLB-KOIHBYQTSA-N", "SMILES:CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4858631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVOPAYQJWAHSZ-AFEGWXKPSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTMKUBIPAMNNQ-QXUSSCGESA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGKUKXKOLKSMG-BJKOEGOMSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVJVADSWOMWVRG-LCALOIESSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWRGQFHTIYSMIA-IGMOWHQGSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLJBTTUWHVDCA-SVWSIEHRSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCWATXCNUHFRFJ-OLCJBLMYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZAAZFJUXVCLI-HTZDTEJJSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZVPLIBCOGZNGG-KJFLPAQCSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTWGHYKLQKWOOD-QQVWZEJNSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVSSLMXJMAXAL-VPMCDZTMSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXPHMCFSPDETG-FISOEBTQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAIWQAZASNVPLR-LAZQRJDOSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBPUXQNMPYSAT-UHFFFAOYSA-N", "SMILES:CCC(C)(NC(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNGHEAPDIWGAHE-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMOQOQZWZROEFZ-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)O)CCC1)c1cc(F)cc2cc(-c3ccc(C(F)(F)F)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSAUYPHLSGPKB-UHFFFAOYSA-N", "SMILES:CCC(C)(NC(=O)c1cc(F)cc2cc(-c3ccc(C(F)(F)F)cc3)oc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTSLZGYWUOVFMW-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHNOZPXPQLEAOL-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDQHOHSXXCXYJU-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)O)CC1)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIWMBCHTAJIGDG-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)O)CCCC1)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWJJEUPNXQBKA-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)O)CCCCC1)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFVSFXLFRDJNT-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUAQLGAIXHIPR-HXUWFJFHSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUAQLGAIXHIPR-FQEVSTJZSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCGDWGBJGGFXSI-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)C(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLGBJGWLCBOOO-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cccc2cc(-c3ccc(Cl)cc3)oc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAZIGEHCBGMUHD-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)O)CCCCC1)c1cccc2cc(-c3ccc(Cl)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBVPPRJXSFHKM-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cccc2c(Br)c(-c3ccc(Cl)cc3)oc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXOQWYLAVQAJFL-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)O)CCCCC1)c1cccc2c(Br)c(-c3ccc(Cl)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTVVHSIISTEDD-GUAVRYBCSA-N", "SMILES:CC(C)C[C@H](N)C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)[C@H](N)CCC(N)=O)ccc1C21OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNNKPIGBJHQKAR-XXSPCBNHSA-N", "SMILES:CC(C)C[C@H](N)C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc1C21OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHYFLDVHNJMRSB-BYZGZVBASA-N", "SMILES:CC(C)C[C@H](N)C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc1C21OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDVPNPPNQLTDT-BGOOXSDRSA-N", "SMILES:CC(C)C[C@H](N)C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc1C21OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUXXMKIAYMJEHC-RVKKMQEKSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(OC)nc1)[C@H]1CC[C@@H](c2ccnc(OC)c2C(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWNPXNAHHXBEHF-ZRGWGRIASA-N", "SMILES:COC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc(OC)c2C(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUUVPQDOXLJGRB-ZRGWGRIASA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc(OC)c2C(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSHJPCTGIFIEX-ZRGWGRIASA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc(OC)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIJUDRKCUHZAX-LLGFUMIMSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc(OC)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKNXJMEJMBLAM-OAGGEKHMSA-N", "SMILES:Cc1c(F)nccc1[C@H]1CC[C@@H]([C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIBKALVOOMFTIL-KURKYZTESA-N", "SMILES:Cc1nccc([C@H]2CC[C@@H]([C@@H](C)NC(=O)c3ccc(Cl)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWUGGMHMBFNPE-ZACQAIPSSA-N", "SMILES:Cc1cnccc1[C@H]1CC[C@@H]([C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPKEMIBZFVABE-ZACQAIPSSA-N", "SMILES:Cc1cc([C@H]2CC[C@@H]([C@@H](C)NC(=O)c3ccc(Cl)cc3)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDQJCJQXEZTZQF-IIDMSEBBSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2cccc(C(F)(F)F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTAARNYDWLVIM-MBOZVWFJSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2cccc(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMBNPCPHXVBZEC-GQIGUUNPSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2cccnc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYMRNXUUUXKSAY-WHSLLNHNSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2cncc(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCRCVPMVOWUYNR-IIDMSEBBSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2nccc(OC)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIUSLFDEJUDDL-QLVMHMETSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OC(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMAFFUMFVWWCA-ZRGWGRIASA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2cccc3c2OC(F)(F)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYBGJRVYJLEWNC-GPMSIDNRSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2cccc(=O)n2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUUSDOBVPWHAQ-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(O)n(Cc3cc4c(cc3Br)OCO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCUHAWKQXDIYIR-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(O)n(Cc3ccc(Br)cc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLVYHXAZQKASV-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(O)n(Cc3ccc(F)c(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNYJXGPWUBBAR-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(O)n(Cc3cc(Cl)ccc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRLTJSDZCRPOP-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(O)n(Cc3cc(C(F)(F)F)ccc3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWOKTERNACGBKN-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(O)n(Cc3ccc(Cl)c(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJLGUYHYSNFHG-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(Cn2c(O)nc3c(Cl)nc(N)nc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVPWZMMRXNRODN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(O)nc3c(Cl)nc(N)nc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPLDMSTKLFJNO-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(S)n(Cc3cc4c(cc3Br)OCO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVORKWCNHDNGQ-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(S)n(Cc3ccc(Br)cc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWZOTNYXHNZOW-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(S)n(Cc3ccc(F)c(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFQHMJZZYWCKF-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(S)n(Cc3cc(C(F)(F)F)ccc3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXHMWQOPLWHOH-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(S)n(Cc3ccc(Cl)c(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSANLGUQDGCOL-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(Cn2c(S)nc3c(Cl)nc(N)nc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRMZJZQRVAMBCG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(S)nc3c(Cl)nc(N)nc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKCWKCMUFQEST-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(S)n(Cc3c(F)ccc(F)c3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRXOKQLTKSGIKB-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(S)n(Cc3ccc(C(F)(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTFFKSRGYUMYQY-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(N)n(Cc3cc4c(cc3Br)OCO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYIGGXPFUUJVBY-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2nc(N)n(Cc3ccc(Br)cc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXZHBZPULXOAK-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2c(n1)N(Cc1cc3c(cc1Br)OCO3)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJMDRCODWBGEU-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2c(n1)N(Cc1ccc3c(c1)OCO3)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBWLLFRJDEVHP-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2c(n1)N(Cc1ccc(Br)cc1F)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHDZNBAQAWUOQS-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2c(n1)N(Cc1cc(C(F)(F)F)ccc1Cl)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYVMQCXUYLQGHD-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPULZPFYNNWXPO-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2c(n1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCXQPDCHIDSOF-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(CN2C(=O)Cc3c(Cl)nc(N)nc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBDCUGDNQVNZDP-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNSMFOUHVZBMK-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2c(n1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYJMUFFYIOWRRM-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CC(=O)N4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPIBZEMGXNTWKR-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(C)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVQFSZLHAOOPPI-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEDWRPNOJNKGOL-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(C)CC4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTXUNTHLMBMYAD-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(C(=O)CN3CCOCC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCRHIHOQPHSEMM-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(C(=O)CCN3CCCC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFCSFQQMMHEHHY-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(C(=O)CN3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHCWXFBJENWPOP-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(C(=O)CC3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILAOYSDQDJLLBD-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(C(=O)C3CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPQKRDLDDKHLKK-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(CC3CCOCC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZIQVRPNDXMEOX-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(CC3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOIPUORMKAOKA-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C(=O)C3CCC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEUDIXCTGHYOQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C(=O)C3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTXPYXBASKYQMU-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C(=O)CN3CCOCC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YINIQNXRRAYBRJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C(=O)CCN3CCCC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPBQHEXHVOGJHS-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C(=O)CC3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYBXPXVBJFNTE-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(CC(=O)N3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIRDGCRHUZAAA-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(CC(=O)N3CCC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXCBFSKSWUTOQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(CC3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYQKZEFCGLDZCP-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GINRVSOEUKVVID-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C3CCN(CC5CC5)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATNVOCQRWNYCHO-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(CC3CN(C)C3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCDBKPGHJYKCP-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C3CN(C)C3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREIMVGWCLAHOC-UHFFFAOYSA-N", "SMILES:CN1CCC(CN2CCc3c(ncnc3Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSQTZXWCOXMSCA-UHFFFAOYSA-N", "SMILES:CN1CCC(CN2CCc3c(ncnc3Oc3ccc(NC(=O)c4cn(CCF)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKZRQXWOXFPPU-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(CC3CCN(C)CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNORSSZINYHFFL-UHFFFAOYSA-N", "SMILES:CN1CCC(CN2CCc3c(ncnc3Oc3ccc(NC(=O)c4cn(CC5CCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCZOBLYJWGMDD-UHFFFAOYSA-N", "SMILES:CN1CCC(CN2CCc3c(ncnc3Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKYTTWUNYCSJG-UHFFFAOYSA-N", "SMILES:CN1CCC(CN2CCc3c(ncnc3Oc3ccc(NC(=O)c4cn(C5CCCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKNZRZBRWCKRM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(=O)c(C(=O)Nc3ccc(Oc4ncnc5c4CCN(CC4CCN(C)CC4)C5)c(F)c3)cn(CC3CC3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAIJSXPUPZBTMI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(=O)c(C(=O)Nc3ccc(Oc4ncnc5c4CCN(CC4CCN(C)CC4)C5)c(F)c3)cn(C3CCCC3)c2=O)nc1"]}
{"name": "Tyrosine-protein kinase Mer", "xref": ["CHEMBL.TARGET:CHEMBL4879469"], "id": "UniProtKB:Q60805", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJGZWFYWNMKNCB-VGWMRTNUSA-N", "SMILES:C[C@H](Nc1nc(NCCCCCNC(=O)CCCNc2nc(N[C@@H](C)C(=O)O)nc(N[C@@H](C)C(=O)O)n2)nc(N[C@@H](C)C(=O)O)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQGUANYQILGLB-YDPTYEFTSA-N", "SMILES:COC(=O)[C@H](CCCCN)Nc1nc(NCCCCCNC(=O)CCCNc2nc(N[C@@H](CCCCN)C(=O)OC)nc(N[C@@H](CCCCN)C(=O)OC)n2)nc(N[C@@H](CCCCN)C(=O)OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDOGEXDTMWYLG-GPHNJDIKSA-N", "SMILES:C[C@H](Nc1nc(NCCCCCNC(=O)CCCNc2nc(N[C@@H](CC(=O)O)C(=O)O)nc(N[C@@H](Cc3ccc(O)cc3)C(=O)O)n2)nc(N[C@@H](C)C(=O)O)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRAEQDRYQNQQK-VDVKDMFPSA-N", "SMILES:CC(C)C[C@H](Nc1nc(NCCCCCNC(=O)CCCNc2nc(N[C@@H](CC(=O)O)C(=O)O)nc(N[C@@H](Cc3ccc(O)cc3)C(=O)O)n2)nc(N[C@@H](C)C(=O)O)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPSCNGGCRTOEJ-KRCBVYEFSA-N", "SMILES:O=C(O)C[C@H](Nc1nc(NCCCC(=O)NCCCCCNc2nc(N[C@@H](CC(=O)O)C(=O)O)nc(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)n2)nc(N[C@@H](Cc2ccc(O)cc2)C(=O)O)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSUFMWLVWAZRBH-YDPTYEFTSA-N", "SMILES:O=C(O)C[C@H](Nc1nc(NCCCCCCCCCCNc2nc(N[C@@H](CC(=O)O)C(=O)O)nc(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)n2)nc(N[C@@H](Cc2ccc(O)cc2)C(=O)O)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL40823", "category": ["biolink:ChemicalEntity"], "name": "OXINDOLE", "xref": ["InChIKey:JYGFTBXVXVMTGB-UHFFFAOYSA-N", "SMILES:O=C1Cc2ccccc2N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1643349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEZHRKOVLKUYCQ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486026", "category": ["biolink:ChemicalEntity"], "name": "METHYL 2,4-DIHYDROXYBENZOATE", "xref": ["InChIKey:IIFCLXHRIYTHPV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4857154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUSZGKUYZIXGPM-UHFFFAOYSA-N", "SMILES:CCc1cccc2c1NC(=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORHORYSQWRCBV-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2c(C3CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKJOXJGLLJZNII-UHFFFAOYSA-N", "SMILES:CNc1cccc2c1NC(=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUKOFFQRSYTDF-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]c3c(C4CC4)cccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUAQBYXUCPXJO-UHFFFAOYSA-N", "SMILES:Cc1cnc2[nH]c3c(C4CC4)cccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHISQQOABKUKS-UHFFFAOYSA-N", "SMILES:Cc1cnc2[nH]c3c(C4CC4)cccc3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWKBDNBOPFJSNO-UHFFFAOYSA-N", "SMILES:CCCc1[nH]c2nc(C)ncc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPZAUCKCQGIBE-UHFFFAOYSA-N", "SMILES:CCCc1[nH]c2nc(C)ncc2c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQKZMBAVFTMEK-UHFFFAOYSA-N", "SMILES:CCCc1[nH]c2nc(C)ncc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXWOAMCNOQVTP-UHFFFAOYSA-N", "SMILES:CCCc1[nH]c2nc(C)nc(Cl)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCYVLNRNCGIUCF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1[nH]c2nc(C)nc(Cl)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJTARJMJPYVPOK-ONEGZZNKSA-N", "SMILES:C/C=C/c1[nH]c2nc(C)nc(Cl)c2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKXEHWYUYXQDH-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2c(N)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXWMLQCBWUVOFP-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(N4CCOCC4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTGCGOFSOGPRI-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3nncc(N4CCOCC4)c3c2)cc1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCZFQFWVTGHCED-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(Nc4ccccc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMOLAFNAXVXRJ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3nncc(Nc4ccccc4)c3c2)cc1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNSDRVJQCWFCOP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2cnnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOAZLIEEAZRIK-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3nncc(Nc4ccc(NC(C)=O)cc4)c3c2)cc1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEDPRMRYFJNMSG-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(Cl)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVRHWVIZOYJOOG-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3nncc(Cl)c3c2)cc1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNLLWCDFQZHDSQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nnccc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMIHGUZGYALDA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2cnnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMFTBZXRYQWMV-GOSISDBHSA-N", "SMILES:C[C@@H](Nc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMFTBZXRYQWMV-SFHVURJKSA-N", "SMILES:C[C@H](Nc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWUWOQDIHWHZKE-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(N4CCCC4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXHJZJTKTWCDL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(N4CCCCC4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUXIMEHDUBJIOC-UHFFFAOYSA-N", "SMILES:CC1CCN(c2cnnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWKQWGDKAHMQB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(N4CCNCC4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXTQVCIYSBRTME-UHFFFAOYSA-N", "SMILES:COc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYZTIOXWVBBMW-UHFFFAOYSA-N", "SMILES:CCOc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQNSGUMTMLSJI-UHFFFAOYSA-N", "SMILES:CCCCCCOc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGDNJXVAJBZCSV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(O)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUMTMOJNZWMQU-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(-n4ccnc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBNCLHVZCGFCOS-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccncc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJBPWDJBVBZXBF-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccccc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXTXORHWGOEKM-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccc(N5CCOCC5)cc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDQJRYKTFFQLMZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(-c4cnc(N5CCOCC5)nc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCHABKSWSKVFX-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccc(N5CCOCC5)nc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHNDTLEKOCIPV-TZIWHRDSSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCJDONVFVRLBAL-ILBGXUMGSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJSWFDQAUGCDZ-TZIWHRDSSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRKOVTCEVBZCGK-ILBGXUMGSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNGRJYOYXAYSC-XNMGPUDCSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZKQMKMGUKASR-AUSIDOKSSA-N", "SMILES:COc1cc(C(=O)NCCCCN2CCO[C@@H]3c4ccccc4OC[C@H]32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWSKYKKYCILKM-FYYLOGMGSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCUVAFTSVIFFV-TZIWHRDSSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTBCYIMBXFMSFW-IFMALSPDSA-N", "SMILES:COc1ccc(C(=O)NCCCCN2CCO[C@@H]3c4ccccc4OC[C@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTLMNQMVBGPMD-VQIMIIECSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQNWLYUGTVHPNE-TZIWHRDSSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKNKUMZPAEZEA-DENIHFKCSA-N", "SMILES:COc1ccccc1C(=O)NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTGPXQJMIHKOA-TZIWHRDSSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVODCKBJAYKLJL-VQIMIIECSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALPMTMYCYHOFLH-TZIWHRDSSA-N", "SMILES:O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLHJBGQZNOFTDB-IFMALSPDSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3ccc(Br)cc3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYIBJRJIELMSTK-IXCJQBJRSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWSLRVUGOHVJKP-IFMALSPDSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3ccc(Cl)cc3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GISMRNMZGNYAEU-AOYPEHQESA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3cccc4ccccc34)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGUDRQBHUOBFPO-ISKFKSNPSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3cc4ccccc4[nH]3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYKYMRCBZJRME-HYBUGGRVSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPIIHSTQOPLRB-IFMALSPDSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTFROBRQSSMIJ-FYYLOGMGSA-N", "SMILES:COc1ccc(C(=O)NCCCCN2CCO[C@@H]3c4cc(OC)ccc4OC[C@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVAQJIHTMVINPX-YLJYHZDGSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3ccco3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJMTLYAUGYPDE-IFMALSPDSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)C3CCCCC3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFPBOMSMCNVMGQ-TZIWHRDSSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3cccnc3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKAZDIQCZSDVHY-YLJYHZDGSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3cccs3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLUGTRKTMWTBF-IFMALSPDSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3cccc(Cl)c3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZOGNBGGXVYUEA-IFMALSPDSA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3ccccc3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZXYTBUUQBLGH-AOYPEHQESA-N", "SMILES:COc1ccc2c(c1)[C@H]1OCCN(CCCCNC(=O)c3ccc4ccccc4c3)[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25236", "category": ["biolink:ChemicalEntity"], "name": "BP-897", "xref": ["InChIKey:MNHDKMDLOJSCGN-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJQMJOFZABKYKJ-RHFBVIABSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJRIMTCEQOBAQE-CHQNGUEUSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNDZCHWNZIJBF-CPCREDONSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOVXDFORWPMHKM-CPCREDONSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMODHQPGHBJSAC-UNTLHNNXSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)[C@@H]1CCC[C@@H](N)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMODHQPGHBJSAC-OMDLBSQPSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)[C@H]1CCC[C@H](N)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZXSIMNTCWVYQC-QPGXSWFSSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)[C@@H]1CC[C@@H](N)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZXSIMNTCWVYQC-ZKMGGTLUSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)[C@H]1CC[C@H](N)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNZVKHZMCAQSN-ZDCRTTOTSA-N", "SMILES:COc1ccc2[nH]cc(C[C@H](NC(=O)CCCN)C(=O)N[C@@H](Cc3ccc(-c4ccccc4)cc3)C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHSSTAAIFVRKT-RGRQWMLTSA-N", "SMILES:COc1ccc2c(C[C@H](NC(=O)CCCN)C(=O)N[C@@H](Cc3ccc(-c4ccccc4)cc3)C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMREWDCHCOGSW-DTXPUJKBSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ncccc12)NC(=O)CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWECIGAYVDGPCF-DTXPUJKBSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQSOWBPNHDISU-DTXPUJKBSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNQRGFWGEJIROP-CPCREDONSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTJPJPLFVVEFSY-ZDCRTTOTSA-N", "SMILES:Cc1ccc(-c2ccc(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNXDUVRKNBLFJL-ZDCRTTOTSA-N", "SMILES:Cc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)CCCN)C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJLIYKWPCXEKI-CPCREDONSA-N", "SMILES:COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)CCCN)C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJUNHSKDVIBGKO-CHQNGUEUSA-N", "SMILES:COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)CCCN)C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYEDURZHCKWWMS-IMKBVMFZSA-N", "SMILES:N=C(N)Nc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNDZCHWNZIJBF-RTOKGZNSSA-N", "SMILES:N=C(N)NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWGCPOZKUXZPI-CHQNGUEUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQQDAYCKBFCNC-CPCREDONSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBADTAWDMLNNSX-KVBYWJEESA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(=O)NCC(=O)Nc1ncccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBUQXJGJLQFDL-IGMOWHQGSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(=O)NCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGLMASKRDRMIM-BJKOEGOMSA-N", "SMILES:COc1cc(CNC(=O)CNC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)CCCN)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGMUHJSVBBHHFU-IGMOWHQGSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(=O)NCC(=O)NCc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZUKZONPFIJQX-QXUSSCGESA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(=O)NCC(=O)Nc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMMPJLVJMFMAA-SVWSIEHRSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(=O)NCC(=O)Nc1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMKPZVOHNMBEAC-KJFLPAQCSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCCN)C(=O)NCC(=O)Nc1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDVFIHNRASKSHW-JPEVSJSWSA-N", "SMILES:COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)[C@H]2CCC[C@H](N)C2)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUYXTFNRDGZEJ-YCRUBAMESA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)[C@H]1CCC[C@H](N)C1)C(=O)NCC(=O)Nc1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRZGEDTWVMFBJ-VOJGZXATSA-N", "SMILES:COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)[C@H]2CCC[C@H](N)C2)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOFWFWGDGUEBJI-LNSINPSDSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)[C@H]1CCC[C@H](N)C1)C(=O)NCC(=O)Nc1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRCCZHZOKZJHOK-IGMOWHQGSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHASZHUQQPMTFZ-CPUDKDSCSA-N", "SMILES:CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)CCN)CSSC[C@H](C(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CO)NC(=O)CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXLLZKAAIMOBQ-UHFFFAOYSA-L", "SMILES:C[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](C)ccc21.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBZBHAULNIINQ-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)c1cnccc1n2CCCCCCCCCn1c2ccccc2c2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZOTVKAOVGNSQX-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c3ccccc3n2CCC(=O)N2c3ccccc3Sc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1712867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWZCZLLZJDKWFN-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCc3[nH]c4ccccc4c3C2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4859070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQDXGEMPVMCBOD-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLKQPYUVQYSQSX-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUJMVMWOLCXGK-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDMFHRSPDKWERA-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMDASHVJGGFLB-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c3ccncc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFZLMCEYFKUTG-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3ccncc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDDPTXUPKJEPTE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3ccncc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYRFGJSXHGSSRA-UHFFFAOYSA-N", "SMILES:O=C(CCn1c2ccccc2c2cnccc21)N1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDOKVFOWONHLZ-UHFFFAOYSA-N", "SMILES:O=C(CCn1c2ccncc2c2cc(F)ccc21)N1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHLLCAOZLCURLY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1cnccc1n2CCC(=O)N1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQBWKICBNYTJF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1cnccc1n2CCC(=O)N1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOBROXMDRKRND-UHFFFAOYSA-M", "SMILES:C[n+]1ccc2c(c1)c1ccccc1n2CCC(=O)N1c2ccccc2Sc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFUNJAXKRQLFJP-UHFFFAOYSA-M", "SMILES:C[n+]1ccc2c(c1)c1cc(F)ccc1n2CCC(=O)N1c2ccccc2Sc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIUNFSSTZHGILH-UHFFFAOYSA-M", "SMILES:Cc1ccc2c(c1)c1c[n+](C)ccc1n2CCC(=O)N1c2ccccc2Sc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNGRUIHOVASGF-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)c1c[n+](C)ccc1n2CCC(=O)N1c2ccccc2Sc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDNJVWLAXFRON-UHFFFAOYSA-M", "SMILES:O=C(CCn1c2ccccc2c2c[n+](Cc3ccccc3)ccc21)N1c2ccccc2Sc2ccccc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFHYRRSTSZAGPX-UHFFFAOYSA-N", "SMILES:Cn1ccc2nc3ccccc3c-2c1.I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSHSZSVVNRGDOH-UHFFFAOYSA-N", "SMILES:C[n+]1ccc2[nH]c3ccc(F)cc3c2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRRVCFKDUWHBE-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3cc[n+](C)cc3c2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNZZJUMQUNABL-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3cc[n+](C)cc3c2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWSYUFCBCAESV-UHFFFAOYSA-N", "SMILES:[Br-].c1ccc(C[n+]2ccc3[nH]c4ccccc4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1984135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYHWPFXPFFPQRT-UHFFFAOYSA-N", "SMILES:CN1CCc2[nH]c3ccccc3c2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4857230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQZNPINUVXKII-UHFFFAOYSA-M", "SMILES:CC[n+]1ccc(-c2ccc(-c3nc4ccccc4s3)cc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGHMMOWDDXPKH-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(CN3CCN(C(=O)C4CC4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGOFIQVXLFMZKA-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBDDOKFMMUWQU-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(CN3CCN(C(=O)C(C)C)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VITXGXZEHOFSNS-UHFFFAOYSA-N", "SMILES:CC(C)=CCn1c(CN2CCN(C(=O)C3CC3)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFEYZGOSLLAECQ-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOPXTKSFMRYPX-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCN(Cc2nc3ccccc3n2Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZUYPIISREBSF-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKDRHRAYBYQVNU-UHFFFAOYSA-N", "SMILES:CCOC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEKZSCSAOAMXFR-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQQERHGOYHYQD-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2CCN(C(=O)C3CC3)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLHIPUAZADETN-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(OC2CCN(C(=O)C3CC3)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIKCBHCHZIFDNI-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(CN3CCN(C(=O)c4ccco4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOLAQMQHWBFOT-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(OC3CCN(C(=O)c4ccco4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQMUILGSIVESKF-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(OC3CCN(C(=O)C4CC4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPBOSIVJVCBNA-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(NC3CCN(C(=O)C4CC4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKRGHTXICYFSW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGJOGAUMYCQPY-UHFFFAOYSA-N", "SMILES:CCCC(=O)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHUJTJZAKIGOMJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(CN3CCN(C(=O)CC(C)C)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGOLJWXYDGYEAX-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(CN3CCN(C(=O)C4CCC4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEYTWSOYSMETBU-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(CN3CCN(C(=O)C4CCCC4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHUGBYFQHQHWIH-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(CN3CCN(C(=O)c4ccccc4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUXNXRWELIYAG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3cccc(C)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCMENUKDQWUMO-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3cccc(C)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVKWNKAKGVBRH-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(CN3CCN(C(=O)c4ccc(C(C)C)cc4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDXNISYKIZAFRP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3cccc(C)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWVKYVHHAYZXHD-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(CN3CCN(C(=O)c4cccs4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFSZIUATBFBBK-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCN(Cc2nc3ccccc3n2CC2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGOYWLIGJRIZTA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(CN3CCN(C(=O)C4CC4)CC3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBSDYCDXAZHPFG-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(CN3CCN(C(=O)C4CC4)CC3)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHDOZENCKLYYPV-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCIDPQWUYTHSW-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTBSLBCLQKTEIT-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REODFJPJFIFZBL-UHFFFAOYSA-N", "SMILES:COc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)c5)cc4)ncn3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXYMPBAANFTNQL-UHFFFAOYSA-N", "SMILES:c1ccn2c(-c3cc(NCc4ccc(-n5cccn5)cc4)ncn3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUOWTDXXDSWJF-UHFFFAOYSA-N", "SMILES:COc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)n5)cc4)ncn3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKCVLCFRFPTZNP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OC6CCOC6)ccn45)ncn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYNHAVSBXVMRU-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc(CNc3cc(-c4cnc5cc(OCCCN6CCCC6)ccn45)ncn3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZPOAGXFYUOZKR-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CC7(COC7)C6)ccn45)ncn3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYMGRNVMAGSZDA-UHFFFAOYSA-N", "SMILES:CN1CC(COc2ccn3c(-c4cc(NCc5ccc(-c6cnn(C)c6)cc5)ncn4)cnc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAGVPNKOYGOFR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(CCN6CCN(C7COC7)CC6)ccn45)ncn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVLANQLSSFMPA-UHFFFAOYSA-N", "SMILES:COCCN1CCC(COc2ccn3c(-c4cc(NCc5ccc(-c6cnn(C)n6)cc5)ncn4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPVPQEXAFSGDOJ-YTMVLYRLSA-N", "SMILES:Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CCC[C@@H]7OCC[C@@H]76)ccn45)ncn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHHPTWTDZARDE-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(CNc3cc(-c4cnc5cc(OCCO)ccn45)ncn3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JARCJAZGKKSDOF-UHFFFAOYSA-N", "SMILES:CNC1CN(c2ccn3c(-c4cc(NCc5ccc(-c6cnn(C)c6)cc5)ncn4)cnc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXWUSAWZABSDFH-FQEVSTJZSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2OCCCCc2ccnc(C(C)C)c2-3)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APWYLINDLBAVQJ-RTWAWAEBSA-N", "SMILES:C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2OCCCCc2ccnc(C(C)C)c2-3)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSOMTGWZPCMAGA-IBGZPJMESA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2OCCCc2ccnc(C(C)C)c2-3)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBIVCWWQPMOKAC-MSOLQXFVSA-N", "SMILES:C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(Cl)cc24)-c2c(F)ccc(F)c2OCCOc2ccnc(C(C)C)c2-3)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFHOTORNKCYPL-ZUYBJZCRSA-N", "SMILES:[2H]C1([2H])Oc2ccc(F)c(F)c2-c2nc3c(cc2Cl)c(N2C[C@@H](C)N(C(=O)C=C)C[C@@H]2C)nc(=O)n3-c2c(ccnc2C(C)C)OC1([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEJRFXHBVNFUQA-MOPGFXCFSA-N", "SMILES:C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(Cl)cc24)-c2c(F)cccc2OCC(F)(F)COc2ccnc(C(C)C)c2-3)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSQEOJVGUNXNG-MSOLQXFVSA-N", "SMILES:C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(Cl)cc24)-c2c(ccc(F)c2F)OCCCc2ncnc(C(C)C)c2-3)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCHZVRISYTFPD-UXHICEINSA-N", "SMILES:C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2OCCCc2ccnc(C(C)C)c2-3)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKCVYIAQXRFYHK-UXHICEINSA-N", "SMILES:C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(Cl)cccc2OCCCc2ccnc(C(C)C)c2-3)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUYYPZYMNBWRW-HUSUDBNBSA-N", "SMILES:C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(ccc(F)c2F)OCCC(C)c2ccnc(C(C)C)c2-3)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDVPIZIGHONHFG-IBGZPJMESA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(Cl)cc24)-c2c(F)cccc2OCC(F)(F)CCc2ccnc(C(C)C)c2-3)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBWSNSOAJCGRF-MOPGFXCFSA-N", "SMILES:C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(Cl)cc24)-c2c(F)cccc2OCCc2ccnc(C(C)C)c2-3)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUEIFQPTBPDFDJ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(-c3cncc(COC(N)=O)c3)cnc(NC3CCNCC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAGDGWOISBNVEC-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2cnc(NC3CCNCC3)c3[nH]c(=O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZDIVCSVYIVOCO-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2cnc(NC3CCN(C)CC3)c3[nH]c(=O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFLMZYQVIYKDKX-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2cnc(NC3CCN(CCO)CC3)c3[nH]c(=O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYUDCPVPDKIANM-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2cnc(NC3CCN(CCN)CC3)c3[nH]c(=O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKDUUWMPYBJPOG-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2cnc(NC3CCN(CCCN)CC3)c3[nH]c(=O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIMQYINBSDFQT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cnc(NC3CCN(CCCN)CC3)c3[nH]c(=O)c(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOAYFESEDXLBJX-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C3CCCCC3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSGTFPWZDWYFN-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C3CCOCC3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOBWRFYLHQNFG-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQPQQRVHJTZSFA-UHFFFAOYSA-N", "SMILES:Cc1cc2c(-c3cncc(CO)c3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTQRBAXLTKDECT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(C(=O)C(F)(F)CN)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZXSNYAQBIVDS-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(CCC(N)=O)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLXKWNNJKIVCU-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(CC(F)CN)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSLBGKLETZVQLB-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(CC(F)(F)CN)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUAWXQMTKGNBRT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(C(=O)CCN)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVAQGWHNXKWKB-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(C(=O)C(F)CN)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICEVJGDKOVBVQU-UHFFFAOYSA-N", "SMILES:C=CCCc1cc2c(C3=CCOCC3)cnc(NC3CCN(C(=O)C(F)(F)CN)CC3)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKBPGZQDHACPZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHJWSYBOJKKSRP-QWRUZVEOSA-N", "SMILES:Cc1ccc(-c2cc(NC(=O)CCNC(=O)[C@H](CN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CN)C(=O)NCCC(=O)Nc3cc(-c4ccc(C)c(NS(C)(=O)=O)c4)nn4c(C)nnc34)c3nnc(C)n3n2)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMDZEIFUPPLEW-INIZCTEOSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)Nc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGPJKXWJARXBD-KRWDZBQOSA-N", "SMILES:COc1ccc(NC(=O)CC[C@H](NS(=O)(=O)c2ccc(C)cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVFDYOKUQZCAJ-LICLKQGHSA-N", "SMILES:C/C(CC(=O)Nc1ccc(C)cc1C)=N\\NC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQMWKFNTLYORF-JFLMPSFJSA-N", "SMILES:O=C(Nc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIINTXKLQRVRAV-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(C)=O)c(CC(=O)C(=O)Nc2cccc(C)c2C)cc1CC(=O)C(=O)Nc1cccc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOZUZQCGQCUPSG-HYARGMPZSA-N", "SMILES:COc1ccc(O)c(/C=N/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMCYEPEYOCYEO-UHFFFAOYSA-N", "SMILES:O=C(OCc1cccc2ccc3cccc(COC(=O)c4ccccc4)c3c12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476121", "category": ["biolink:ChemicalEntity"], "name": "XANTHOMICROL", "xref": ["InChIKey:SAMBWAJRKKEEOR-UHFFFAOYSA-N", "SMILES:COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL226512", "category": ["biolink:ChemicalEntity"], "name": "GARDENIN B", "xref": ["InChIKey:LXEVSYZNYDZSOB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4874261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBQXUGIKVLVKAT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2cc3ccccc3cc2OC(=O)Nc2cc(Cl)ccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUEYNCYZLMDDHY-GOSISDBHSA-N", "SMILES:COc1ccccc1OC[C@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1990669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLIKMIMZJKADTK-UHFFFAOYSA-N", "SMILES:O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVBCYDGOABSMGL-YMAQYZRWSA-N", "SMILES:CC(/C=N/Nc1ccc(S(=O)(=O)/N=C/C(C)=C/c2ccccc2)cc1)=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZENJLBMQOKQOU-UOSOPFLXSA-N", "SMILES:O=C(CCCC(=O)N/N=C/c1cccc2ccccc12)N/N=C/c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UESJKJPQJYLSQP-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(CN(CC(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJPYQPSKKRADR-SFHVURJKSA-N", "SMILES:O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPEZKTHSFUYYQD-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCSSCCNS(=O)(=O)c1cccc2cccnc12)c1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1529347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASSFUYQPLYOOJK-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)cc(-c3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNIBWMGLLPEMHJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)-c1ccccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZRLCRMZASNWID-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)Nc1ccc(NC(=O)NCC(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFERJDPLOMISPG-UHFFFAOYSA-N", "SMILES:COc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPZBVVARVJQTAW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODHFZINJDDSFIB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYMJKFCEWNTOSX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWAKIYAMWRQWDT-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIPPZTXGSWIXFV-UHFFFAOYSA-N", "SMILES:Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWCPNEJTTGLSQC-UHFFFAOYSA-N", "SMILES:Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCBMSENIXPZAJT-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBKJDBGCLFSGA-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOPQOSLCOHLCP-UHFFFAOYSA-N", "SMILES:C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXZRSDPJPHIOH-UHFFFAOYSA-N", "SMILES:CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIAKGRDDSYYQQS-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARGMPCCCUNPEOG-UHFFFAOYSA-N", "SMILES:Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALUYNNMYLAIVQS-UHFFFAOYSA-N", "SMILES:C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPOINXAMYFWFQQ-UHFFFAOYSA-N", "SMILES:CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBJOEYRBVEINR-UHFFFAOYSA-N", "SMILES:Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYUJCVPGYLIMY-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUDQBWLADGWETM-UHFFFAOYSA-N", "SMILES:CC(C)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBFWWDKYZWYOX-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CATISAMDEUGNJW-DJLDLDEBSA-N", "SMILES:Cc1cn([C@H]2C[C@H](Nc3c(N(C)O)c(=O)c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"name": "DNA cross-link repair 1A protein", "xref": ["CHEMBL.TARGET:CHEMBL4105903"], "id": "UniProtKB:Q6PJP8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYRIFWWZXAUKC-HNPMAXIBSA-M", "SMILES:Cc1cn([C@H]2C[C@H](Nc3c([O-])c(=O)c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFQJQGYLXBQHZ-CNFBAGBTSA-N", "SMILES:CN(O)c1c(N[C@H]2[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGHJOZGFBDAKO-QJPTWQEYSA-N", "SMILES:CCN(CC)c1c(NC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)c(=S)c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWPJFYQQGPCCR-QJPTWQEYSA-N", "SMILES:CCN(CC)c1c(N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)c(=S)c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQCTZKYTTPHHOV-YZXKGSGOSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@H](CNc3c(N[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4CO)c(=S)c3=S)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1489870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASRSXDRAEGLYDZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nnc(C3CCCCC3)o2)cc1"]}
{"name": "Polyunsaturated fatty acid lipoxygenase ALOX15B", "xref": ["CHEMBL.TARGET:CHEMBL2457"], "id": "UniProtKB:O15296", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1452107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVBFNWBMPZICK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2ncn(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1390514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLFXIQOXFXUXCT-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1520238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWQUGMKGRHUQAN-UHFFFAOYSA-N", "SMILES:Brc1ccc(CSc2nccn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1352020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUNURSMEOCMLOG-UHFFFAOYSA-N", "SMILES:CCc1ccc(CSc2nccn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOIOWPAOAAIYGV-JTQLQIEISA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc3cc(O)c(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZLCVCVIHFKNIA-SGTLLEGYSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1nc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZAMKCOWDQOOT-QGZVFWFLSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2nc3cc(O)c(O)cc3s2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAOTWRVLPPVMBM-SFHVURJKSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nc3cc(O)c(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORWVNLYNIYIKKX-IBGZPJMESA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2nc3cc(O)c(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVYZDYVFRJSUDS-KRWDZBQOSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1nc2cc(O)c(O)cc2s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRTQAZCALGDNLQ-KRWDZBQOSA-N", "SMILES:O=C(C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc(O)c(O)cc2s1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFUKKLWEUOZFN-UHFFFAOYSA-N", "SMILES:O=C(CN(C(=O)c1ccccc1)c1ccccc1)Nc1nc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLAWXYMTUMBOBQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZRMIJXJMVSNK-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJWKWRIQFYLNO-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOXKUPNKLDBKFF-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNQLMGVQUFWJM-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEPLLUYDPEYJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2nc3cc(O)c(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVYZWRLSSXRNIK-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQLQHJBHMUAIB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(NC(=S)Nc3ccc(I)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRTYWPRQEAXKSC-ZDUSSCGKSA-N", "SMILES:O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1nc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFGJWZOEILCTNT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1nc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDAZDDZVYEWCA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWYZZLAJOUUEK-AWEZNQCLSA-N", "SMILES:O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFQBRKWSZNOTIX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGLYQJZXIDNFD-AWEZNQCLSA-N", "SMILES:O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQSFILCQBTRKR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFDBZJHPOCOKKE-HNNXBMFYSA-N", "SMILES:O=C(Nc1ccccc1)[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKDBOZHHWYKASH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cnc2cc(O)c(O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKDTQPXJGQLFL-HNNXBMFYSA-N", "SMILES:O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cc2c(O)cc(O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNZHIVVUCSLUQJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(I)cc1)c1nc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLQQAXVZWIISM-NSHDSACASA-N", "SMILES:O=C(O)C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSXALQUDYSTNM-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCFKITQLHXTAMI-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVFBOWBIMYCNDP-INIZCTEOSA-N", "SMILES:O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQSTRBZZWYQOO-KRWDZBQOSA-N", "SMILES:O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cnc2cc(O)c(O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTVNGAYGYEBQX-SFHVURJKSA-N", "SMILES:O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2cc(O)c(O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZORZOQURASFPO-HNNXBMFYSA-N", "SMILES:O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1nc2cc(O)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHRPHFELISHGC-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXPMLJCQJRZKO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc2c(O)cc(O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCZKFWUJGCMIL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc2cc([N+](=O)[O-])c(O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAQHAEDYHSJRTE-UHFFFAOYSA-N", "SMILES:Nc1cc2cc(C(=O)Nc3ccccc3)oc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIISZMRTGKWIFN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(CC3)COC(c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)O4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQKEYXGXVYKFQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(CC3)OCC(c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)O4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRBTGMLYQDCTB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLAFZBSFWLXSD-QPJJXVBHSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC(/C=C/c4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVYKLYOBSFTMT-VOTSOKGWSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CC4C(/C=C/c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4C3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWCABTYQVCNCT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVWJMQQFOTYMZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYOTEBFELJFAE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(C=C(c5c(-c6ccccc6C(F)(F)F)noc5C5CC5)C4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBXJXIQDITTRI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(C=C(c5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)C4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMVITFYNBJOTG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(C=C(c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)C4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXPEEGZEYRPOV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCC3(C=C(c4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVMXXSLSGKLUKP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCC3(C=C(c4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUOMEPOKHNAXGW-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXZHKRXZCXSKGC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNHONPYJPUPDJP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cc(N3CCC4(C=C(c5c(-c6c(Cl)cc(F)cc6Cl)noc5C5CC5)C4)CC3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVLBROJHBALOBD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cc(N3CCC4(C=C(c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)C4)CC3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGAVSDZYIRUGE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(F)(F)F)c2cc(N3CCC4(C=C(c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)C4)CC3)ccc2n1"]}
{"name": "Prolyl endopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL2461"], "id": "UniProtKB:P23687", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAIUUZOKWHEOBW-OALUTQOASA-N", "SMILES:O=C(c1ncc[nH]1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGKLVHWZRWWJW-HOTGVXAUSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOHAXFNEHSVCLY-JSGCOSHPSA-N", "SMILES:C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLWLCTGRSRLSPO-AWEZNQCLSA-N", "SMILES:CN(CC(=O)N1CCC[C@H]1c1nnn[nH]1)C(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHSIHHJVRODRN-ROUUACIJSA-N", "SMILES:O=C(CCCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWICNVHPKGCLV-HOCLYGCPSA-N", "SMILES:C[C@H](NC(=O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQMUPRZRXTYRW-GJZGRUSLSA-N", "SMILES:O=C(CCCc1cccs1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIPBVSJMKINRS-AAEUAGOBSA-N", "SMILES:C[C@H](NC(=O)CCCc1cccs1)C(=O)N1CCC[C@H]1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPTFECKYRZDSFJ-ROUUACIJSA-N", "SMILES:Cn1nnnc1[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTSVRWOPNMFYNN-ROUUACIJSA-N", "SMILES:Cn1nnc([C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CCCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANKDRVIJFNMOB-ROUUACIJSA-N", "SMILES:O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJLZDISZCWKJW-HOCLYGCPSA-N", "SMILES:C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMTHWXJUAJSENG-OALUTQOASA-N", "SMILES:O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1cnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQTBCXRQQZIAFL-ROUUACIJSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REHZKZSJOGMLBE-OALUTQOASA-N", "SMILES:O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUMRDUIEPXGSQY-RDJZCZTQSA-N", "SMILES:C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYANRHQYORHSTP-PMACEKPBSA-N", "SMILES:O=C(CCCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILRNVTIJDNWQSA-PMACEKPBSA-N", "SMILES:O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCRFSOAUGEWIL-PMACEKPBSA-N", "SMILES:O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYWVGOQLYTZCK-FOCLMDBBSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2094383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMXCGDXEUDZAK-FOCLMDBBSA-N", "SMILES:Oc1ccc2ccccc2c1/N=N/c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIKMFBVZICNPO-GEEYTBSJSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYPOZWUBARCBFT-GEEYTBSJSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYBOPYVKLCCKM-GEEYTBSJSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOSEELBXXJHFC-GEEYTBSJSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=C(O)c1cc(O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONDIZFZEFXZDQJ-QIFPAGTOSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=C(O)/C=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSKJIVVLCNCIJE-GEEYTBSJSA-N", "SMILES:Br.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSDHVWCUHWWZGR-GEEYTBSJSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTWGEAVJNYREV-GEEYTBSJSA-M", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c([O-])c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNOZSLJDJNSBI-GEEYTBSJSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=[N+]([O-])O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBVNVCARHHAAW-GEEYTBSJSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=C(O)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSGMHUNKWJEEW-GEEYTBSJSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)CCS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIAVOBGWISOYNV-GEEYTBSJSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZTCYBLPTNHMQM-GEEYTBSJSA-N", "SMILES:CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.Cc1ccc(S(=O)(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEZACDCOFZDTIV-BPQIPLTHSA-N", "SMILES:OC[C@H]1Oc2cc(Cc3ccc(F)cc3)cc3c2[C@@H](OC3)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2115530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVECGMZCTULTIS-HSUXUTPPSA-N", "SMILES:OC[C@H]1OC=C[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4846264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBLDDSNOCYTTO-IIAWOOMASA-N", "SMILES:COC(=O)c1ccc2nc(CO[C@@H]3C=CO[C@H](CO)[C@@H]3O)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHSIOZVAMTVGW-BFYDXBDKSA-N", "SMILES:CCOC(=O)c1ccc2c(c1)nc(CO[C@@H]1C=CO[C@H](CO)[C@@H]1O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZYRRIGHJNGGY-UMVBOHGHSA-N", "SMILES:Cn1c(CO[C@@H]2C=CO[C@H](CO)[C@@H]2O)nc2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFAMMJCVWSUBZ-UMVBOHGHSA-N", "SMILES:Cn1c(CO[C@@H]2C=CO[C@H](CO)[C@@H]2O)nc2cc(C(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVBVJVFIXTFPT-BZUAXINKSA-N", "SMILES:O=C(O)c1ccc2ccc(CO[C@@H]3C=CO[C@H](CO)[C@@H]3O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVAGTYPODGVJG-VOQCIKJUSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"name": "Galectin-2", "xref": ["CHEMBL.TARGET:CHEMBL5977"], "id": "UniProtKB:P05162", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHQQXFVNQRTING-YRGRVCCFSA-N", "SMILES:O=C(O)c1ccc2nc(CO[C@@H]3C=CO[C@H](CO)[C@@H]3O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRZWFPELWXEDW-UMVBOHGHSA-N", "SMILES:COC(=O)c1ccc2nc(CO[C@@H]3C=CO[C@H](CO)[C@@H]3O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQUDGLEAUKLIE-BRWVUGGUSA-N", "SMILES:COC(=O)c1ccc2ccc(CO[C@@H]3C=CO[C@H](CO)[C@@H]3O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJDXCHMRVVEIN-DIINWTLSSA-N", "SMILES:Cn1c(CO[C@@H]2[C@@H](O)[C@@H](Sc3ccc(Cl)c(Cl)c3)O[C@H](CO)[C@@H]2O)nc2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXRSGGUGXBFALF-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(-c2ccccc2)nc(SCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIVQAMSFDUPML-UHFFFAOYSA-N", "SMILES:Cc1cc(SCC(=O)O)nc(SCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWZIQUVDKYKJX-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(-c2ccccc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMKLKJUSIICMRN-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZDLRHAMLCMJA-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(NCC(=O)O)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYIPVNPIWTPLK-UHFFFAOYSA-N", "SMILES:O=C(O)CCSc1nc(SCCC(=O)O)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDYVWDREBODNT-HOTGVXAUSA-N", "SMILES:CCCC[C@H](Nc1nc(N[C@@H](CCCC)C(=O)O)nc(-c2ccccc2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDYVWDREBODNT-IYBDPMFKSA-N", "SMILES:CCCC[C@H](Nc1nc(N[C@H](CCCC)C(=O)O)nc(-c2ccccc2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUQNICAOTUYOW-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCBBJKZSIGHAT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCC(=O)O)nc(SCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPKVMYBOQCNILK-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(-c2ccc(N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZXGSVUIERBZQU-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHULAPCGWOXULS-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(-c2cccc(C(=O)O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGHFEOPJDBHMW-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(-c2ccsc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIKHLHMITSLBHS-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(-c2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFYXZUPXREEQG-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(Sc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANVEVSDJGYULP-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(Nc2ccccc2)nc(SCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHRZQRJLMWLIMO-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(NC23CC(C2)C3)nc(SCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVNVRLOQUUBLR-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(NC2CCCCC2)nc(SCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMDDRXLZOSWEFM-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICMBTNMSDMSHW-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDPQZECHKZONOK-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(SCC(=O)O)nc(N2C3CCC2COC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFYNQSSMVKEFY-UHFFFAOYSA-N", "SMILES:C[N+]1(c2nc(SCC(=O)O)nc(SCC(=O)O)n2)CCOCC1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLDKYOLJSHXEJ-UHFFFAOYSA-N", "SMILES:CCC(c1nc2ccccc2c(=O)n1CCOC)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMNVFTKFDZLWND-UHFFFAOYSA-N", "SMILES:CCCC(c1nc2ccccc2c(=O)n1CCOC)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTDYKSHTPHNFV-UHFFFAOYSA-N", "SMILES:COCCn1c(C(C)N2CCNCC2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEEKQIZPRVIPLW-MCPYQZEQSA-N", "SMILES:CCCC(c1nc2ccccc2c(=O)n1CCOC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEVZXFWJGWAEM-MVVMVCHASA-N", "SMILES:CCC(c1nc2ccccc2c(=O)n1CCOC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXRBKYJAIZTOFD-XEWABKELSA-N", "SMILES:CCCCC(c1nc2ccccc2c(=O)n1CCOC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRFCZRNQISSJIO-NYTJIUQPSA-N", "SMILES:COCCn1c(C(CC2CC2)N2C[C@@H](C)N[C@@H](C)C2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXGQEXSGAOPFPJ-LIMIJEPZSA-N", "SMILES:CCCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQJVALWKNMSMU-QRTHJKPMSA-N", "SMILES:CCCC(c1nc2ccccc2c(=O)n1Cc1ccco1)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUUADNQCVLHGT-MVVMVCHASA-N", "SMILES:CCCC(c1nc2ccccc2c(=O)n1CC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRSOKSUFAHQOBB-VMZNBEPHSA-N", "SMILES:CCCC(c1nc2ccccc2c(=O)n1C)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPZKTXACHAXBF-UUVAVEHKSA-N", "SMILES:CCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPZKTXACHAXBF-QWQRMKEZSA-N", "SMILES:CCC[C@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPZKTXACHAXBF-IYOUNJFTSA-N", "SMILES:CCC[C@@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTDLBPRFVYDPAP-RTHVDDQRSA-N", "SMILES:CCCC(c1nc2ccc(C#N)cc2c(=O)n1CC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYAALVOGCYFGQ-NYTJIUQPSA-N", "SMILES:CCCC(c1nc2ccc(NCC)cc2c(=O)n1CC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVOZSVPOYNBFRG-NHJWOMDBSA-N", "SMILES:CCCC(c1nc2ccc(-c3ccncc3)cc2c(=O)n1CC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQAAOLJUJSYNKR-UUVAVEHKSA-N", "SMILES:CCCC(c1nc2cc(Br)ccc2c(=O)n1CC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGDNJZQOERWNOA-NHJWOMDBSA-N", "SMILES:CCCC(c1nc2cc(-c3ccncc3)ccc2c(=O)n1CC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQZDIZEHXXDPX-VMZNBEPHSA-N", "SMILES:CCCC(c1nc2cccc(Br)c2c(=O)n1CC)N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIJFXKORLPSOQ-UHFFFAOYSA-N", "SMILES:CCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAEGUHUSNCIBOV-UHFFFAOYSA-N", "SMILES:CCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1CCC(NC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSSPZINBGXOFY-UHFFFAOYSA-N", "SMILES:CCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1CC2CCC(C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSYRVYORQUIJU-SUMWQHHRSA-N", "SMILES:CCC[C@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSYRVYORQUIJU-CXAGYDPISA-N", "SMILES:CCC[C@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1CCN[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSYRVYORQUIJU-GUYCJALGSA-N", "SMILES:CCC[C@@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWCUREFJRULTRF-MAUKXSAKSA-N", "SMILES:CCC[C@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1CCN[C@@H](CC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARQPLGTEQSWJP-QGZVFWFLSA-N", "SMILES:CCC[C@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1CCNC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQYUCNHWNYTNR-XJKSGUPXSA-N", "SMILES:CCC[C@H](c1nc2ccncc2c(=O)n1CC)N1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQYUCNHWNYTNR-CZUORRHYSA-N", "SMILES:CCC[C@H](c1nc2ccncc2c(=O)n1CC)N1CCN[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQYUCNHWNYTNR-BBRMVZONSA-N", "SMILES:CCC[C@@H](c1nc2ccncc2c(=O)n1CC)N1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJIJCZZZYILOOZ-MAWPBPKCSA-N", "SMILES:C=CCC[C@@H]1c2cc(CNC)ccc2[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)[C@H]1CNC(=N)N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNIRVHKPRUJQO-NHSWWBFWSA-N", "SMILES:CNCc1ccc2c(c1)[C@@H](CCCO)[C@H](CNC(=N)N)[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDYYEAFZFCNDH-CIOOZTDDSA-N", "SMILES:CNCc1ccc2c(c1)[C@@H](CCC(O)CO)[C@H](CNC(=N)N)[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOMAWQVSYEYJI-MAWPBPKCSA-N", "SMILES:CNCc1ccc2c(c1)[C@@H](CCC(=O)CO)[C@H](CNC(=N)N)[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDYYEAFZFCNDH-WKLNQEDBSA-N", "SMILES:CNCc1ccc2c(c1)[C@@H](CC[C@H](O)CO)[C@H](CNC(=N)N)[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDYYEAFZFCNDH-MOTCQMIPSA-N", "SMILES:CNCc1ccc2c(c1)[C@@H](CC[C@@H](O)CO)[C@H](CNC(=N)N)[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USIYFONAAMDITK-NHSWWBFWSA-N", "SMILES:CNCc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)[C@@H](CNC(=N)N)[C@@H]2CCCO.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMTUCMWPHTEAZ-XBDWKXKXSA-N", "SMILES:CNCc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)[C@@H](CNC(=N)N)[C@@H]2CCC(O)CO.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMTUCMWPHTEAZ-WEGHRMMQSA-N", "SMILES:CNCc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)[C@@H](CNC(=N)N)[C@@H]2CC[C@H](O)CO.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLOHDUDQHMDET-BHASQYGXSA-N", "SMILES:CNCc1ccc2c(c1)C[C@H](CNC(=N)N)[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXUXPTUFCMUFKD-NRTXUKPXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"name": "Calcium and integrin-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4879503"], "id": "UniProtKB:Q99828", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLIXEHILLUNKZ-WZAOXELRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMGQVFCSCDMPD-AAHPKQRSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLJRECLZTAVZDK-RPQURDNOSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)[C@@H](N)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALOPFKCZXACEJT-CRJLRRAZSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccco2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWGSABKMJMYTH-LCZFMCKCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXGYNCMWIUOQEM-KRPMONMWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZSPTWNHFQWXPZ-BICMFSSZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXERHRTUHMEUQI-RALROADFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHZSCQSESHKPU-PSOXTSLOSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQSHLNHFZCIQT-CWAAHSASSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AINWKBORTDYZBE-WLMMXGMGSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccco2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQOXDVKXCHQJE-WIJQONFCSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXFKJVOOQBSLS-BYFIKXBUSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHZXZNLUHMVENQ-GLSFLMLKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)C(CCC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUUZFTQJBQZOTF-ROYSTZOASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccco2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGOUUNHNXGJLC-CDSGRBAMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccco2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYLAJQCCYBRDRH-NDGSDGMXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVMVIJUPWAGFT-UNTRRXIQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJYNVDARYSMONI-UGLAUGGJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKPWIOFVMXVEAX-UZJNTLEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOISUZUXKIXKX-NOBXOAEOSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCZAHVKIKIVAD-ZHTOMRMBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQTLAWBRHUUWTD-YPWNXNINSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJGPDSOCSAFWMC-KHADQZKFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWKXEJHQLLNRM-NOBXOAEOSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VICQATHYTQFBAD-KWMAUILUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXHDEJZRQWMKT-BICMFSSZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJEDCLFTHDCOSQ-VHARLCPNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5027915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRBQWGXWYGDKMX-KHADQZKFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUIROFIKIILJLL-KWMAUILUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYSZSYXVGDXJD-AYRGWRJRSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)NCCOCCOCCCCCCCl)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXAVBNMHISBARL-PFDRUPDASA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCC(=O)NCCOCCOCCCCCCCl)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOKYUJNQRPDEQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c(F)c2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHXKMDOUBAUDDP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDMBPFJHFQVXGI-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCFPFONXNCULT-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)C2CC2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPUWRIMHKIDGCJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCc3cc(Nc4ncc(C)c(-c5cnn(C(C)C)c5)n4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPAHREFSCZMQCN-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYMLGRRBROBOKM-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc3c(c2)CC(=O)N3)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXCGBVZAWUFTLV-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DABPGIDEMDQWKD-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGBVVJEMFFMQL-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)C2CC2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULVGHBLPDHPYKM-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)C2CC2(F)F)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REESVAJAJQEULD-MOPGFXCFSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)[C@@H]2C[C@@H]2F)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDGKSOXANHRKNK-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)c2ccc(C(F)(F)F)cc2F)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVFEEFTJRPTGX-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)c2cccc(C(F)(F)F)c2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPZFOGKSPCGFKI-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)Cc2ccc(OC(F)(F)F)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBJWEQLGJBSZHA-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)CN2CCS(=O)(=O)CC2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHIVAWQECJUEHC-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)CCN2CCOCC2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULLHFSQAGQAPR-HXUWFJFHSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)[C@H]2CCCN2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGYCSBFPMVRDP-XMMPIXPASA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)[C@H]2CCCN2C(=O)C2(C#N)CC2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSDWBSLPALKIH-IBGZPJMESA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)[C@@H](O)CO)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJPMAGFUNAYSMN-UHFFFAOYSA-N", "SMILES:CCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4S(=O)(=O)c3ccc(C(F)(F)F)cc3)ncc2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYYXSVYEPPLFL-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cnn(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASKRNSPQHJVWTG-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cnn(C2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXOIVMMIFOVPX-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cnn(CCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIACWHNDCCCAN-UHFFFAOYSA-N", "SMILES:CCOC(C)n1cc(-c2nc(Nc3ccc4c(c3)CCN4S(=O)(=O)c3ccc(C(F)(F)F)cc3)ncc2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONZPWSVTNTRMO-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNCWBEVUUBYIAS-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-c2nc(Nc3ccc4c(c3)CNC4=O)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCAXUNOMZZMQX-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CNC3=O)nc1-c1cnn(CCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXXEJLTBYXKAX-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4S(=O)(=O)C(F)(F)F)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBMFRJZLSHFEAI-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4S(=O)(=O)c3ccc(C(F)(F)F)cc3)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYROKBFQIIWVKF-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4C(=O)c3ccc(C(F)(F)F)cc3)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCHIACHOJRUKS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)N2CCc3cc(Nc4ncc(F)c(-c5cnn(CCC#N)c5)n4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMFNMXXGFQOGG-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4C(=O)CN3CCS(=O)(=O)CC3)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMFEMWXKGSBCM-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4C(=O)C3(C#N)CC3)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPMGTCYRHCNTJ-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(Nc3ncc(F)c(-c4cnn(CCC#N)c4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDRNYQWTORWBT-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-c2nc(Nc3ccc4c(ccn4S(=O)(=O)C(F)(F)F)c3)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUVNSMRKMHTDEN-UHFFFAOYSA-N", "SMILES:N#CCCn1cc(-c2nc(Nc3ccc4c(ccn4C(=O)C4CC4)c3)ncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJOYDRGTDGUIE-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTCMYIXXIAHRAH-UHLRDLFUSA-N", "SMILES:CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)C[C@@]3(C4=CC(=O)OC4O)OC[C@]14C2(CC[C@@H]1O[C@@]14C)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTHYDWYGPXNIJ-WYYFIEGJSA-N", "SMILES:CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)C[C@@]3(C4=CC(O)OC4=O)OC[C@]14C2(CC[C@@H]1O[C@@]14C)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWFLRILEDUKJP-XTKATPMDSA-N", "SMILES:CO[C@]1(C2=CC(=O)OC2O)C[C@]2(C)[C@@H](C)C[C@@H](OC(C)=O)[C@]3(COC(C)=O)C2(CC[C@@H]2O[C@@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPNLZCZLGMOXIR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YICHSKQGZLZABH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHQCGLSMQEPHC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLJTYTXOSVYZSU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXABKBBGBVXSD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEUYBYDIMJAXBT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLVOMBJRCZHAC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQDKRNGGGLMNW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(OC(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFMKDAQSROWHEB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQFNWKWDDCPIJH-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCQXLGQCAVTEL-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXVNVBAOGBNUED-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTYXCGMXPNCPGR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWCROTDHJPPFED-UHFFFAOYSA-N", "SMILES:CCc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYROHLCJWMOSD-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZENZVMDGYSHOM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHIKRYHSAQXPW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWHUGYXRVIFMC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYZWNBPPMDLFF-UHFFFAOYSA-N", "SMILES:COc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGANEQSGFOENPL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAYAQNNUWCPCKT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2nc3ccc(Cl)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWYGNLMJWIHGLU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CNc2nc3ccc(OC(F)(F)F)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWDOSAQYWAGNL-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NCC(=O)NCc3ccc(S(N)(=O)=O)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPXQVUQYOKUGS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2noc(COc3cc(C)nc4cccc(C)c34)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQNAYPDQZDOUEJ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2ncc(C#N)c(N3CCCN(c4nnc(C(F)(F)F)s4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWVIJNKEWTBMH-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C(F)(F)F)nc(N(Cc3nc(-c4cccnc4)no3)C(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZSXJJLMWSGOR-UHFFFAOYSA-N", "SMILES:Cc1ccc2cccc(S(=O)(=O)N3CCN(c4nccc5sccc45)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIKGUIRGSMTFAP-UHFFFAOYSA-N", "SMILES:COc1ccc2ncc(C#N)c(N3CCC(Cc4nc(C(C)C)no4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVORLJXVCQAMZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2noc(-c3cc(Nc4ccccc4)ncn3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GARHYSIXHOTWRK-UHFFFAOYSA-N", "SMILES:Cc1nsc(N2CCCN(Cc3cc4ccccc4nc3N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDWWTCAUWPHID-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTFLWHGYVUDOV-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(Cl)c1Cc1noc(-c2sc3nc(C(F)(F)F)ccc3c2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMEYHUGNLPKXTH-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)CCc1nc(-c2ccoc2)no1)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTUYMXYSMGJHQ-UHFFFAOYSA-N", "SMILES:CN(c1cccc2cccnc12)S(=O)(=O)c1cnc2ccsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBRPFYJHDLFFT-UHFFFAOYSA-N", "SMILES:CC(C)OCc1nc(C(C)NC(=O)C(C)Sc2ccnc3cc(Cl)ccc23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGYZWQHYUTULEQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(NCCc3nnc(C(C)C)s3)ncn2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMKXMZWSBUBRSX-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)c1cc(NCCc2nnc(C(C)C)s2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CABCUURODQCKED-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2cc(Nc3ncnc4c(F)c(F)ccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCSJEIBLVNGMB-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc(Cc2nc(-c3cnc4c(F)cccc4c3)no2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGDMGLPCUITIKX-UHFFFAOYSA-N", "SMILES:Cc1ccnc2sc(C(=O)N3CCN(C(=O)c4[nH]nc5ccccc45)CC3)c(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTJDVVEZLTLGN-UHFFFAOYSA-N", "SMILES:CC(C)c1nnsc1C(=O)Nc1cnc2c(F)c(F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPVKYLVBQNIHG-UHFFFAOYSA-N", "SMILES:COc1c(Cl)cccc1-c1noc(-c2cnc3sccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHMQRJMFRLUXCX-UHFFFAOYSA-N", "SMILES:CSc1nsc(NC(=O)c2sc3ncccc3c2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFOWIQRJVRYBL-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccccc32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARWNIFMRUQROEQ-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CC3)c3c(Cl)cccc32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHITVAUIBSDEK-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CC3)c3cc(F)ccc32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMNDCJZPFSNSZ-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CC3)c3cc(Cl)ccc32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPKNODCDJUROPV-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccc(F)cc32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPWYULQZXISRJB-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccc(Cl)cc32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFAYGVIOVHBFEB-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CC3)c3cccc(Cl)c32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFHBMNLWXTXFJ-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CC3)c3cccc(F)c32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSPFOERQNFYYQX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccc(F)cc32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZKVSUCQBRRADM-UHFFFAOYSA-N", "SMILES:NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PORDHBWBLGHPQW-UHFFFAOYSA-N", "SMILES:NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3cccc(F)c31)n2CCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEAUDWQMUVFLU-UHFFFAOYSA-N", "SMILES:NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2C1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTWLLBIEDUTMG-UHFFFAOYSA-N", "SMILES:NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUNZGXGVPQEGFJ-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHYCMKIVZSOJDH-UHFFFAOYSA-N", "SMILES:CCNC(=N)c1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKLYCUIXLWVDJ-UHFFFAOYSA-N", "SMILES:N=C(N)NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZIWJSDISVLVPD-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZSVFLNKNEXKI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYEKKSUNOUBQRR-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFPDMKVJXNQKU-UHFFFAOYSA-N", "SMILES:O=C1N(Cc2nc3ccccc3n2CCCC(F)(F)F)c2cc(F)ccc2C12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLIUSAKESRUYJX-UHFFFAOYSA-N", "SMILES:O=C1N(Cc2nc3cc(Cl)ccc3n2CCCC(F)(F)F)c2cc(F)ccc2C12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVISTKCFDABZAC-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CC3)c3cccnc32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVULRHITNGOBAO-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGLKISMFBIZTFJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC2(C1)C(=O)N(Cc1nc3cc(CN)ccc3n1CCC(C)C)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKHDREWMQRFOCG-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2C(=O)C3(CCOCC3)c3ccccc32)nc2cc(CN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHSXNMUWLPVPMI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNNBZNOSKERNV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4ccc5ccccc5n4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPSPUYFMISQQP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc5ccccc5cn4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCNIGJMZHBDBB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cccc5cccnc45)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBCEDUBEBOIDJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4nccc5ccccc45)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COTSPDFDULXGAP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cncc5ccccc45)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXSJNTHMBIVWDC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cccnc4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBQAJFVSRHWHW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4ccc5ccccc5c4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVZONMPEQMDCTR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cnccn4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYLNXOOXADNHX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4ccccc4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMOACTWTHWSOFQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4ccc(F)c(F)c4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHZVKWLSLDMHTR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4ccsc4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJSZIXLSBFCESW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4ccoc4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVJUICZGTNUNIN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4coc5ccccc5c4=O)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLWMOIQRWOPOJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5c(OC)cccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPGCAIHAHOGJB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5cc(F)ccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLHUTPWOPQKVSP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5cc(C)ccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFVWZVUFBJDPFK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCN(C(=O)CCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNYTUGBAXJPBN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCN(C(=O)CCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOCMKXAWIANLI-XIYFGJGBSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCC/C=C1/C[C@H](CO)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKDNUBSMLOABX-XWMMGPHDSA-N", "SMILES:C=CCCCCCCCCCCCCC/C=C1/C[C@H](CO)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQWBDTGFWZWVIP-XWMMGPHDSA-N", "SMILES:CCCCCCCCCCCCCCC/C=C1/C[C@H](CO)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYAKSGFVTXHGG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(Nc2ccc(F)c(Cl)c2)cc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLRZIVDAMKJNK-UHFFFAOYSA-N", "SMILES:COc1ncccc1C(=O)NCCNc1cc(Nc2ccc(N3CCOCC3)cc2)nc([S+](C)[O-])n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXILXJHYRCMVAF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(Nc2cc(F)c(F)c(F)c2)cc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIDLULUUJXONV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(Nc2ccc(F)c(Cl)c2)cc(NC2CCC(N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNFIYKOVWHYKJ-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(C(=O)c2cccc3c2CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLVVQRHNWHKSH-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNHHCVYTGCJPE-UHFFFAOYSA-N", "SMILES:CCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPHQNTMHPRTACP-UHFFFAOYSA-N", "SMILES:CCCCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTZIHQYHSZOQH-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPBYFPIPYBEAJA-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2ccc(C(=O)c3cn(Cc4ccccc4)c4ccccc34)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHVMZLODMUODD-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2ccc(C(=O)c3cn(Cc4ccc(F)cc4)c4ccccc34)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBRKZODNSORBZ-VMPITWQZSA-N", "SMILES:CC/C=C/Cn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBRKZODNSORBZ-YVMONPNESA-N", "SMILES:CC/C=C\\Cn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCWNRKMBBQZCR-UHFFFAOYSA-N", "SMILES:C=CCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSQWQUGWVZDJU-UHFFFAOYSA-N", "SMILES:C#CCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICUAEFFHPIQZFI-UHFFFAOYSA-N", "SMILES:CCC#CCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLHASWAUOZCMNW-UHFFFAOYSA-N", "SMILES:CCCCCn1c(C)c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSVVZBWHZOBZQN-UHFFFAOYSA-N", "SMILES:C#CCn1c(C)c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCIUPACVJVAFF-UHFFFAOYSA-N", "SMILES:CCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUAZRCEJCVWQP-UHFFFAOYSA-N", "SMILES:C=CCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYLYRBHRSMTNRB-UHFFFAOYSA-N", "SMILES:C#CCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABJOPUJSTLOXOF-UHFFFAOYSA-N", "SMILES:CCCn1c(C)c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQIYPSUBDZELM-UHFFFAOYSA-N", "SMILES:CCCCn1c(C)c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDRGYZUNYCMPG-UHFFFAOYSA-N", "SMILES:CCCCCCn1c(C)c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLPFOVPOXAUYQO-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGTIXXXCEUMABP-RMKNXTFCSA-N", "SMILES:CC/C=C/Cn1c(C)c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGTIXXXCEUMABP-TWGQIWQCSA-N", "SMILES:CC/C=C\\Cn1c(C)c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPAODSLNISBHG-UHFFFAOYSA-N", "SMILES:C=CCCCn1c(C)c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPGCDLOIVFNBEB-UHFFFAOYSA-N", "SMILES:C#CCCCn1c(C)c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPYXSLOGVUHEY-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c(CNCCCP(=O)(O)O)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYXVNWBGVIIBOW-QMMMGPOBSA-N", "SMILES:O=c1[nH]cnc2c(CN[C@H](CO)CCP(=O)(O)O)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTCAHCTRXGVOG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C)c(C(=O)O)n2O)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPZNKXUHDHYEV-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(C#N)c2)n(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBWWACPNHLMSMJ-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(O)c(C#N)c2)n(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRNZBNKGAAZXIU-QHCPKHFHSA-N", "SMILES:Cc1nc(-c2cccc(C#N)c2)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYZBLYOWWJNMBQ-QHCPKHFHSA-N", "SMILES:Cc1nc(-c2ccccc2C#N)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNYCZJJJALWHK-QFIPXVFZSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZNQTJNGFPKOOT-NRFANRHFSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDAQUZHJQGZWLK-NRFANRHFSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSXDEFIUJOITD-QFIPXVFZSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MILMBUGIRVHCJC-QFIPXVFZSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPVYMRMKJZROE-QFIPXVFZSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXWYKBAYZKLNPD-QFIPXVFZSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRWNUPHEFRGPM-QFIPXVFZSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMYAQJLNGLKUNK-QFIPXVFZSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCGCJFCLNOCSM-QFIPXVFZSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYDRDKEWGPURF-QFIPXVFZSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBOLBOAODPTEI-DEOSSOPVSA-N", "SMILES:CC(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFLXSCGMYZCSI-VWLOTQADSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C(C)C)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPFWVQIKBUFSEF-SANMLTNESA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)CC(C)C)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKBYOUXPNCFSO-DEOSSOPVSA-N", "SMILES:C#CC(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFDHCIONAYNBQQ-VWLOTQADSA-N", "SMILES:CC#CC(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGKAPMKNHSXRE-VWLOTQADSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUOLWQJQWDOGPH-LSZSVODISA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CC2C)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZXKUIFMJPDHM-SANMLTNESA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CCC2)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYNIHSFTDJVNCV-MHZLTWQESA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CCCC2)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMFGGWNSPGSHKJ-NDEPHWFRSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CCCCC2)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROBYRKAZWSEWLD-NDEPHWFRSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccccc2)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDQDEFKAHIFCNG-MHZLTWQESA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccccn2)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWARKUCQIPSMU-VWLOTQADSA-N", "SMILES:Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2ncccn2)cc1)C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLSRAXZCKDSPO-FIKGOQFSSA-N", "SMILES:NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIPHJTHZUWDJIK-TXUUCIKASA-N", "SMILES:C[C@H](CC[C@H](O)C(CO)CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4851986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKUSPYUETNXNRO-CJKJGBPISA-N", "SMILES:C[C@H](CC[C@H](O)C(CO)COS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4867393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSFWCVWODWNKH-BYUHOVPXSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQVVRSJMCVPLW-OMFCHEOISA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MISGJQDNTOTORK-BYUHOVPXSA-N", "SMILES:CSc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBPWSGBGKKMKM-RIZHYQNPSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2ccc(O)c(O)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDYXUUTKFMEMM-YDQXKSBXSA-N", "SMILES:CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBJDPBHMDYPDKU-IUCBYXEWSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2ccc(O)c(O)c2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVSALJJSMBHNIY-YDQXKSBXSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2ccc(O)c(O)c2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHKTYYBLPIXRKJ-OFTREDDISA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2ccc(O)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YACCFPLNCIYYHG-HNCNVSSRSA-N", "SMILES:COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYVMUCHDGPUKOX-OFTREDDISA-N", "SMILES:COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSLBNXVJOSOJBC-MQJJGDESSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2ccc(O)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSVPYKHIOTQCF-CVYRVCFDSA-N", "SMILES:CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKJZFNHQDGATR-UGBQLOTJSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2ccc(O)c(OC)c2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFAPLDHEYISTJ-CVYRVCFDSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2ccc(O)c(OC)c2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMMSRRCNUZGQH-KWSYBWAHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNSGKOURZQJSK-OYHLQXKGSA-N", "SMILES:COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOHWDHISAPBPKM-KWSYBWAHSA-N", "SMILES:COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSWYRVDXDMUHMQ-MSAZCCBOSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAWPSQXNVKRKD-SGJYFDFBSA-N", "SMILES:CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1cc(OC)c(O)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVONVQAXGDZBJO-QTUDOZFYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDPJBXBDASBMKE-SGJYFDFBSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYJQXBNZZRGAL-LITSAYRRSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHAFUMWCUXEZLV-LBNVMWSVSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEXZJKBHSKWCJW-LITSAYRRSA-N", "SMILES:CSc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZFODDCQUYWHOS-RPLLCQBOSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)c(O)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHTZIZMGLMUJT-LBNVMWSVSA-N", "SMILES:CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPEMJGOMDMKXIU-LBNVMWSVSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)c(O)c2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFYBFZOHHDWAIN-LBNVMWSVSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)c(O)c2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGZYPDWYZYMSS-LMSSTIIKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWTCVPCATZPCSU-XTEPFMGCSA-N", "SMILES:COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCBABDNEHNSTQA-LMSSTIIKSA-N", "SMILES:COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYTLIFJNIMETBZ-AHKZPQOWSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJRWPANOPRZIHK-XTEPFMGCSA-N", "SMILES:CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVMGVUMZFUSEL-XTEPFMGCSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)c(OC)c2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQKPIHPACVDAL-XTEPFMGCSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)c(OC)c2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLBBNLKFJMUIP-LMSSTIIKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2cc(OC)c(O)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUKOMYSRAQTQW-XTEPFMGCSA-N", "SMILES:COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c(OC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADWTEIFYFLHLO-LMSSTIIKSA-N", "SMILES:COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)c(OC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRURUKCXSZMPN-AHKZPQOWSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2cc(OC)c(O)cc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXXQWIDOJKUBHN-XTEPFMGCSA-N", "SMILES:CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1cc(OC)c(O)cc1OC)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONSOUVGSPQFBT-XTEPFMGCSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2cc(OC)c(O)cc2OC)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BONGILNHCJAIJB-XTEPFMGCSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCc2cc(OC)c(O)cc2OC)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNUEQUTEGSZQQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CN4CCNCC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLETXFGRTIAXND-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CN4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQEXBLBDOHQHHG-XMMPIXPASA-N", "SMILES:Cc1ccc(-c2cc3occ(CN4CCC[C@@H](N)C4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGYQVPZDHUEMAO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CNC4CCNCC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOVNJYFCBFUYEC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CNC4CCNC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTFGMQWSPNJKJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CNC4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULSXUGFPDVOEZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CNC4CCCNC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMTJDCDDDXPCMJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CN4CCC(N)C4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQEXBLBDOHQHHG-DEOSSOPVSA-N", "SMILES:Cc1ccc(-c2cc3occ(CN4CCC[C@H](N)C4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTFGMQWSPNJKJ-SOAUALDESA-N", "SMILES:Cc1ccc(-c2cc3occ(CN[C@H]4CC[C@H](N)CC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFLJWNSQMDQJLS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CNCCN)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMJPIJRCLKPFK-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1coc2cc(-c3ccc(C)cc3)c(-c3ccc(C#N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINQDMVPWVWQNM-UHFFFAOYSA-N", "SMILES:CNCCCN(C)Cc1coc2cc(-c3ccc(C)cc3)c(-c3ccc(C#N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJJQMTAUZUMSMX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CNCCCN)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGMJGVIAVWRQV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CNCCCCN)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZVGVGPQQOQJP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CNCCCCCN)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWEZJDIOILCPBC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CNCCCCCCN)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYMMLDNURHRGR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CN4CCN(C)CC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMBCSWMNWFLULU-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1coc2cc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C#N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMMOFFZLIMXOFJ-UHFFFAOYSA-N", "SMILES:CN(CCCN)Cc1coc2cc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C#N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNKYOTUZEIAWLY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CN4CCC(N)C4)coc3cc2-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMTZLUPWTUGBFD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CN4CCC(N)C4)coc3cc2-c2cc(F)cc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZLYPBVRRONFU-QFIPXVFZSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CN4CCC[C@H](N)C4)coc3cc2-c2cccc([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDAQOBSEZWCTMJ-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1coc2cc(-c3cccc([N+](=O)[O-])c3)c(-c3ccc(C#N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRHFIZNXGOROH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CN4CCC(N)C4)coc3cc2-c2cccc([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTHBAGADCWUPX-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CN4CCC[C@H](N)C4)coc3cc2-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULTVXLQRCFDMC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CN4CCC(N)C4)coc3cc2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRXYQWAYBWYCX-UHFFFAOYSA-N", "SMILES:CN(CCCN)Cc1coc2cc(-c3cccc([N+](=O)[O-])c3)c(-c3ccc(C#N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPLSWIIRVXCXJV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CNC4CCNC4)coc3cc2-c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZKHTYXAJNRVRB-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cc3occ(CNC4CCNC4)c3cc2-c2ccc(C#N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVEDRRFDYLVWDC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CNC4CCNC4)coc3cc2-c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCOGKFIBGKNEC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CNC4CCNC4)coc3cc2-c2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOEYFJLKLPLYBY-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cc3occ(CNC4CCNC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBGZDHINUNSJV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3occ(CNC4CCNC4)c3cc2-c2ccc(C#N)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRURWLLKPLYTE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CNC4CCNC4)coc3cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORCYDBSXODMMM-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3cc4occ(CNC5CCNC5)c4cc3-c3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNNYVTYUGPAGBK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CNC4CCNC4)coc3cc2-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLKVWPPBTJXTKP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(CNC4CCNC4)coc3cc2-c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1197637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPJQGFLUORYYPE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc3ccc4c(c3c[n+]1CC2)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4861762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFGXQZDCQZGRCT-UHFFFAOYSA-N", "SMILES:O=C(Cc1c(-c2ccccc2)nc2ccccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVVMHJFYUGPAU-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2nc1-c1ccc(-c2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSGNBIPMXFJCOB-UHFFFAOYSA-N", "SMILES:C[n+]1c2ccccc2c(-c2c[nH]c3ccc(O)cc23)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLLSCJZPULYLP-UHFFFAOYSA-N", "SMILES:Clc1nccc(-c2c[nH]c3ccc(Br)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRCMZPAZRKDBB-UHFFFAOYSA-N", "SMILES:Brc1ccc2[nH]cc(-c3ncnc4ccccc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBXPRSWJSKBFHL-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPBYMCNAUHTCJ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYBCHHOMYORUSX-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYMMOCJPVKTAH-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJXHMBQXKAZTO-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMAFQLZCXOEYAF-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGBITKHHPQFPE-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASYAAYMGNJCTGE-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWSYLBCLXATCQY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCCJSLETMQZDD-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQPMNJZFWSQBV-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTBBFDSQPORVER-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKSIAHBMIMWRD-UHFFFAOYSA-N", "SMILES:Cc1ncccc1Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWLUVKUJLJUMRZ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1cccnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRABNASYVLDTFC-UHFFFAOYSA-N", "SMILES:Cc1cncc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NARCTIYPIJSOJN-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cnc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4F)cc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSAXDPNQTQWGSD-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC2CCN(C(=O)C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBDHBDVSWQWCQS-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJUEXCVSDLJPD-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTXLNMXLIRBMBJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC2CN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVAJYMKSUWXID-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEXMGNANRUMEPN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCC(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJOBXCFQAFSDKG-RUCARUNLSA-N", "SMILES:Cc1ccc(O[C@H]2CC[C@H](C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YREHRYQXOSORMH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSIRNPFCKOFINA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNINIWMZUFSKMQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2cnc(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDNUPIYXHUTZMS-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)c(C)cn4C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZQMYIYHSBUQV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(F)cn(C)c4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFGFRLZEVYDOSA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cc4ccn(C)c4cc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNNEUVNSBOAPO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)c(F)cn4C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGONSTHEPWBNMX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)c(Cl)cn4C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHZXATRHAOJCNJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cc(F)c4[nH]ccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZFOMHCUBYTGA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cnc4c(ccn4C)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKYBEMRXGHLJPO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cnc4c(c3)c(F)cn4C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUUXSPOUHAQQY-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccn4cccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXRVLQDAIPMQLP-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCN4C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVLMNKCALXCMJE-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)c3nnc(-c4cccc5c4ccn5C)o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDSJPCVYBDVPJ-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc3c(ccn3C)c2)cc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVJJZBNAIRPCPG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(C(=O)NCc3ccc4c(ccn4C)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMLBQPVKLDXBM-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC2CCN(C(=O)NCc3ccc4c(ccn4C)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKURASWAASSKZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)NCc3ccc4c(ccn4C)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPXBYBDQDEZLE-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC2CN(C(=O)NCc3ccc4c(ccn4C)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDRNUIYDPTBBR-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC2CCN(C(=O)NCc3ccc4c(ccn4C)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMHSYXIWPKSCBK-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC2CCN(C(=O)NCc3ccc4c(ccn4C)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQMKAZOYZASOFB-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC2CN(C(=O)NCc3ccc4c(ccn4C)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSSLHFUAJWMHA-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(F)cc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNZJJPALIQXGM-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(Cl)cc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSSSNUJBENYCCM-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC2CN(C(=O)NCc3ccc4c(ccn4C)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJFOCZBXKKZAPM-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(OC(F)(F)F)cc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHNMTPLSRDVJOZ-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccccc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQHBOKVREHRZHR-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(C#N)cc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXWYGYRYNQEVTC-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CREAVHWWSWYHAQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2[nH]ccc2c1)N1CC(COc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNUWTYFCBIXEKI-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWRBEPXVBMQTTR-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(NC(=O)C(=O)c3cnn(Cc4ccc(Cl)cc4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGXETSPNUBPGV-UHFFFAOYSA-N", "SMILES:c1ccc2oc(C3CCNCC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMULJIQFSHBVOR-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC(c3cc4ccccc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKGNJYSVNBJVDD-UHFFFAOYSA-N", "SMILES:Oc1ccc(CN2CCC(c3cc4ccccc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAIZGSFEBEUHC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(CN2CCC(c3cc4ccccc4o3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZCWMUIOKUAEEN-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCC(c3cc4ccccc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSAEODTAOQOGD-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1c(C2CCN(Cc3ccccc3)CC2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKJYFIKJWMJDQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2c(C3CCN(Cc4ccccc4)CC3)oc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPTSVXZSYDYQHR-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3oc4ccccc4c3C(=O)c3ccccc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRPBGBKPCPJUTC-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3oc4ccccc4c3C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUUAVZAGVHTUGK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(CN2CCC(c3oc4ccccc4c3C(=O)c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNOBZKFCCCERS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(CN2CCC(c3oc4ccccc4c3C(=O)c3ccc(OC)c(OC)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIPFVRUSXPLAIA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2c(C3CCN(Cc4cc(OC)ccc4OC)CC3)oc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUYFGENREADJSK-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3oc4ccccc4c3C(=O)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLJHMIMODLBWRT-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3oc4ccccc4c3C(=O)c3ccc(OC)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCBHXXJWADXIHF-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3cc4ccccc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWKUJBDKKVVRFI-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3cc4ccccc4o3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAABLLMMQHSMLJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(CN2CCC(c3cc4ccccc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACQJSWKZZFRCRQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(CN2CCC(c3cc4ccccc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSVPZNMSDJBDC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NNC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBXNSTAOLUDAAN-UHFFFAOYSA-N", "SMILES:NC(=S)NNC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSEJNGQSFXATBM-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=S)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPEPITOWXAKOSB-UHFFFAOYSA-N", "SMILES:CCOC(=O)NNC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WITFRPULGWVHJC-UHFFFAOYSA-N", "SMILES:O=c1c(Cc2ccccc2)nc2ccccc2n1CC(O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQYXPHDGKUTQE-VZUCSPMQSA-N", "SMILES:COc1cc(/C=N/NC(N)=S)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEYZFJSVCHWLPP-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)SC1CCCC1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGBLPRZWQNSSJ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-n2nnc(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUGMWIORXNTIA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEOMUNIOZPWFSQ-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2nc3ccccc3n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTUMCTXVWKPHLE-XQNSMLJCSA-N", "SMILES:C(=N/NC1Nc2ccccc2N=C1Cc1ccccc1)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCXQRWNSSFAJRQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2ccccc2C(F)(F)F)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDCIYORPRRQGKG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2ccccc2Cl)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSTZLLFHPYOWMP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTNXGRALMXZSDM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)c2nccc(C(F)(F)F)n2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVYMMYKEXATFBA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2ccccn2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOQDQURTUGIZED-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2ccccc2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRWCGCDRWSPTOG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)CCc2ccccc2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDCIPUMPREMMP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)CCCc2ccccc2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKXKMXADQGCEEP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2ccc(C)cc2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAAZZOFWZAFEPZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2ccc(F)cc2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMCADMSYQPADJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEXQEIJFWWNNLU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2cccc(Cl)c2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPBHUPDVQXZAG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2ccccc2C)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGKAIGOQJZJHOE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2cccc(C)c2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMEDYPRTASCMGF-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2ccccc2F)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLFOOHGZDVVTDQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2cccc(F)c2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTOMJUULLEAFZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2cc(F)ccc2F)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSNXBNRGUSLQCO-QGZVFWFLSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C3)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSPKETIBTXFNCY-KRWDZBQOSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C3)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSPKETIBTXFNCY-QGZVFWFLSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C3)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBZHXEHFHONNMM-HDICACEKSA-N", "SMILES:CC(=O)N1[C@H](C)CN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C3)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHOUZCUAODABO-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC2CC(C1)N2c1ccc2c(c1)CCN(S(=O)(=O)N(C)Cc1c(F)cccc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLEPFLGZRFORQI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)CC2CC2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMAVVDRCMGJZHM-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2ccc(COc3c(F)cccc3Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODXRGHOWOQXTP-UHFFFAOYSA-N", "SMILES:CCN1C(=O)COc2cc(N(CC(F)(F)F)S(=O)(=O)c3ccc(C)c(C)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSIADGRSPKPJB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(c2)CCN(S(=O)(=O)N(C)Cc2ccc(C(F)(F)F)cc2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHHIVKPIOEVNA-SXGWCWSVSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTETZRVTCAMFFZ-PXNMLYILSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORVGQXZUODJVDY-PXNMLYILSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOLUJJUTKLZTN-GRSHGNNSSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1cccc(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMXAGYVXQINWAH-XKZIYDEJSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGEZSQZWOXTZEK-QRVIBDJDSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBADKIRCRGVGQ-PXNMLYILSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPMFXIWOYQFEJJ-PXNMLYILSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGJFBKNSICQGV-PXNMLYILSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL163333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJAGKWUZTMLWSX-MFOYZWKCSA-N", "SMILES:COc1cccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMKSEDLZSIPGI-MFOYZWKCSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMKSEDLZSIPGI-RQZCQDPDSA-N", "SMILES:CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C/c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUDIWRLBOQYGL-WQRHYEAKSA-N", "SMILES:CC1=C(CC(=O)O)c2ccccc2/C1=C\\c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUDIWRLBOQYGL-WOJGMQOQSA-N", "SMILES:CC1=C(CC(=O)O)c2ccccc2/C1=C/c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMAAUIZLAZYALS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2oc(-c3ccnc(C(=O)N4CCN(C(c5ccccc5)c5nnn(C)n5)CC4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZNMMURUAMNIY-UHFFFAOYSA-N", "SMILES:Cl.Nc1cccc2c(C(=O)NCc3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZPIQCSTPPXCPW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFAJNNAOUUTCEC-UHFFFAOYSA-N", "SMILES:Cl.Nc1cccc2c(S(=O)(=O)NCc3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACQTMRIUCZNRQ-UHFFFAOYSA-N", "SMILES:Cl.Nc1cccc2c(S(=O)(=O)NCCc3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COTNVOBELXDQOS-UHFFFAOYSA-N", "SMILES:Cl.Nc1cccc2c(S(=O)(=O)NCc3ccc(F)cc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPZIYKXTCUTQP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNS(=O)(=O)c2cccc3c(N)cccc23)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRGIUNIFBPFTN-UHFFFAOYSA-N", "SMILES:Cl.Nc1cccc2c(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRONXWACAFQJNS-UHFFFAOYSA-N", "SMILES:Cl.N#Cc1ccc(CNS(=O)(=O)c2cccc3c(N)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCLQIYCBPYQDM-UHFFFAOYSA-N", "SMILES:Cl.Nc1cccc2c(S(=O)(=O)NCc3ccncc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOCLWWGTUTFGW-UHFFFAOYSA-N", "SMILES:Cl.Nc1cccc2c(S(=O)(=O)NCc3cccs3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GETNXSSZAXLAHC-UHFFFAOYSA-N", "SMILES:CN1CCC(CNS(=O)(=O)c2cccc3c(N)cccc23)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVGPOUDOUGHOKA-UHFFFAOYSA-N", "SMILES:Cl.Nc1cccc2c(S(=O)(=O)NC3CC3c3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACXPVIAVKDYVGO-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc2c(N)cccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRLWLOLWASAMBI-UHFFFAOYSA-N", "SMILES:Cl.O=S(=O)(NCc1ccccc1)c1cccc2c(NCC3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQFBYQUOCMFKCX-UHFFFAOYSA-N", "SMILES:Cl.O=S(=O)(NCc1ccccc1)c1cccc2c(NC3CCCCC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDKFUIBUYYRHGO-UHFFFAOYSA-N", "SMILES:Cl.Cl.O=S(=O)(NCc1ccccc1)c1cccc2c(NC3CCNCC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZENSMFUIBEPBV-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFEQNALGJVUAJT-UHFFFAOYSA-N", "SMILES:CCN1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKKCAJMPTVASKB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXLSVAUFMVIGBC-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccccc1)N1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCVKAASHSQXMTC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1.Cl"]}
{"name": "SAFB-like transcription modulator", "xref": ["CHEMBL.TARGET:CHEMBL4523469"], "id": "UniProtKB:Q9NWH9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein R-Ras2", "xref": ["CHEMBL.TARGET:CHEMBL4879446"], "id": "UniProtKB:P62070", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUIXHLNJVJPQY-BIKAOLTESA-N", "SMILES:CCC(C)NC(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXOHSDXUQEUSF-SXWQXWLMSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CC(N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4874776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVYAHCDRRICQJM-UHFFFAOYSA-N", "SMILES:NNc1nc2ccccc2nc1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLGRGOGJTIXJGZ-VWNXMTODSA-N", "SMILES:CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)c2ccc(-c4ccccc4CN4CCOCC4)c(=O)n2C3)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4860876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJOXWRFJOUWUKX-GOSISDBHSA-N", "SMILES:O=C1O[C@@H](C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1895209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFAJFPHFKEJOI-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWOIVLZSYSDKKC-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)c(S(N)(=O)=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKWNFAYLEISDTB-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=O)c(S(N)(=O)=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMXKWCHBTUKSK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2cc(S(N)(=O)=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVMZHVIFOAOFSI-UHFFFAOYSA-N", "SMILES:COc1cccc2oc(=O)c(S(N)(=O)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVMWMNABDZPQSN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXLUEFNTOMBIKE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2cc(O)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZPJJGCMNPSHV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2cc(F)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNUCKIWZTSJTEU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2cc(Cl)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUGMWOUWMGUQQN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2cc(Br)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQCGJYAGDJIWIB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIGWIVYSYNUDP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVISITFDMZIESK-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(S(N)(=O)=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZQNKNFGWYUVLM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2cccc(F)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCXIMYMSJFOLGM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2cccc(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAYOQNPFCPWXBX-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(S(N)(=O)=O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRSALAUTHMGJG-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(S(N)(=O)=O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXNZVITQQXASN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc2c(ccc3ccccc32)oc1=O"]}
{"name": "Nuclear receptor ROR-alpha", "xref": ["CHEMBL.TARGET:CHEMBL3217403"], "id": "UniProtKB:P51448", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTLRSWJYQTBFZ-DDPQNLDTSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4850611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOYSMHEPJMEDJ-IDQNGDBUSA-N", "SMILES:CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"name": "Nuclear receptor ROR-alpha", "xref": ["CHEMBL.TARGET:CHEMBL5868"], "id": "UniProtKB:P35398", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLGINRULKJGCAY-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[Se]CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPHFZCRRGQZIM-LQGKIZFRSA-N", "SMILES:C(=N/CCc1c[nH]cn1)\\c1ccc(/C=N/CCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYBYHQTOHEIDN-KFSYKRRRSA-N", "SMILES:C(=N\\CCc1c[nH]cn1)\\c1cccc(/C=N/CCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACEYNRYFDKKEMZ-KFSYKRRRSA-N", "SMILES:C(=N\\CCc1c[nH]cn1)\\c1ccccc1/C=N/CCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIFACZGAAJLFH-BUOZRGFLSA-N", "SMILES:C(=N\\CCc1c[nH]cn1)\\c1ccc(/C=N/CCc2c[nH]cn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMRZRVBWYWHBST-UHFFFAOYSA-N", "SMILES:c1nc2c([nH]1)C(c1ccc(C3NCCc4nc[nH]c43)cc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLCNKBLEOPHFP-UHFFFAOYSA-N", "SMILES:c1cc(C2NCCc3nc[nH]c32)cc(C2NCCc3nc[nH]c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRQSZYHMYKKANK-UHFFFAOYSA-N", "SMILES:c1nc2c([nH]1)C(c1ccc(C3NCCc4nc[nH]c43)o1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDOMCKFEXAYLJW-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3cccnc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJBNGGUCBQNSLU-QUGAMOGWSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ncc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBHYZQMMZFMAK-WXTAPIANSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJJTVYOYFYQVHM-XGCWNURASA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFUSVPZBQWQXQH-KWMCUTETSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1(C)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLUXMXKQQBSRPQ-PVPMGCCUSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHPOJHPVQWXLJ-SGANQWHYSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAUSRYRAXPEZMB-SGNOPVRASA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@@](C)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAUSRYRAXPEZMB-IGOFHWAASA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@](C)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWRMPCIASLTTTI-KVUUWBKYSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1[C@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTBDQSWDFRWXRT-SGNOPVRASA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@](C)(F)C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFWMJCRQMQASPD-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLBFPYANSHCCS-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCN3CC(CF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXVCQLXSONGYHE-PVPMGCCUSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC(=O)CN3CC(CF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEUKJWLDSLNGD-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHQYKIUIAUWCB-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCO)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSIGWFQINBTLS-PVPMGCCUSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCC(F)F)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWXYDBEXHCDKA-CHAGWJKLSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CC(CF)CF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZRZELMHJGHJHD-AKJBCIBTSA-N", "SMILES:CCCN1CC(Nc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(F)(F)CO)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCWTDSLBFPQCB-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCO)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFGOMLKPFNUTHI-WCNYAZAYSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQRFPSWPGCKCH-PVPMGCCUSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPLYTHECYNRBF-PVPMGCCUSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESQDZKUKHWOLS-PVPMGCCUSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCYBRDAKZFTDA-PVPMGCCUSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNUWTEMWTOXGIK-XGCWNURASA-N", "SMILES:COCC(F)(F)CN1[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMPODQFMDXWMT-WGDIFIGCSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVPFWZJURVBDQK-WXTAPIANSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cc2)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEDYCDTXWMJXCS-PUAOIOHZSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCNCCCF)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWLZQHICTWOIKR-PUAOIOHZSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCNCCCF)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYPDGDGBPYLRFG-DLEQGYHRSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(O[C@H]3CCN(CCCF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGXNYHESRXRPT-DLEQGYHRSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N[C@H]3CCN(CCCF)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLJFSVIZSWAERX-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(OC)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBWPORVNMMWTB-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIRPYAPMDVGAIO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)N(CC(N)=O)CC(c2ccccc2)c2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTLKPGVINKJDRE-UHFFFAOYSA-N", "SMILES:CCN(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGEYBNIOHKEYAV-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)N(CC(c2ccccc2)c2ccccc2)C(C)C#N)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYICLJMYRHBKOD-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)N(CC(c2ccccc2)c2ccccc2)C(C)C2CCCO2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTOHYTKCJYXSQO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)N(CCN2CCOCC2)CC(c2ccccc2)c2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXPQCAPQBGDMTD-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)N(CC(c2ccccc2)c2ccccc2)C(C)CN2CCOCC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLBVRGLNVHOOQ-UHFFFAOYSA-N", "SMILES:COCC(COC)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRWFUMUOFNGGB-UHFFFAOYSA-N", "SMILES:CCNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SATGQZZWOPYLQF-UHFFFAOYSA-N", "SMILES:CCNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1ccc(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOJUZJCMAIXTJ-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(OC)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFOZVZYVBHUZEY-UHFFFAOYSA-N", "SMILES:CCNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)C1CCC(=O)N(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZVLFNBTVSYMSI-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(CC(C)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGGABEHSCVFGRY-UHFFFAOYSA-N", "SMILES:CCC(CN(CC(=O)NC)C(=O)c1cc(C)c(=O)n(C)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSUXAGJKCNZXRR-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(CC(c1ccccc1)C(C)C)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFDWGSKBGBYRX-UHFFFAOYSA-N", "SMILES:CCOC(CN(CC(=O)NC)C(=O)c1cc(C)c(=O)n(C)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOEHWCWYSUXLJB-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(CC(c1ccccc1)C1CCOCC1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXPKEQUHXTVGQ-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(CC(CC1CCOCC1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMQASHJWJJMBDY-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(CC(c1ccccc1)n1ccnc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCHAUIFENUJYEV-UHFFFAOYSA-N", "SMILES:CNC(=O)CN(CC(c1ccccc1)n1cccn1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDGVSZDTUKRHOH-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)N(CC(c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQUAINZYZTAMQ-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)N(CC(c1ccccc1)c1cccnc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTAYZYOXMLYGV-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)N(CC(c1ccccc1)c1ccncc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGIXXZQQPSUGA-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)N(CC(O)(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDCZQITXTAMNNV-JUERFOTFSA-N", "SMILES:CNC(=O)[C@@H](C1CCOCC1)N(CC(c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDCZQITXTAMNNV-JKGBFCRXSA-N", "SMILES:CNC(=O)[C@H](C1CCOCC1)N(CC(c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWPDDLIAFPROJ-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWPDDLIAFPROJ-IBGZPJMESA-N", "SMILES:CNC(=O)[C@H](C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWPDDLIAFPROJ-LJQANCHMSA-N", "SMILES:CNC(=O)[C@@H](C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXCXDYLJCLLER-UHFFFAOYSA-N", "SMILES:CCC(C(=O)NC)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZLSPRIGWNSRGM-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C(C)C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFZHMWEBIEXJT-UHFFFAOYSA-N", "SMILES:CNC(=O)C(N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLXZSIGTJPQSFT-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C1CC1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYGUAWODQIUOM-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C1CCC1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZFHZXQBWPRPP-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C1COC1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNDOVJOKEDNARH-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C1CCOC1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQDMLWNHBGGFT-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHHSNZVHWXTCK-UHFFFAOYSA-N", "SMILES:CNC(=O)C1(N(CC(c2ccccc2)c2ccccc2)C(=O)c2cc(C)c(=O)n(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALTATQZNENLUGI-UHFFFAOYSA-N", "SMILES:CNC(=O)C1(N(CC(c2ccccc2)c2ccccc2)C(=O)c2cc(C)c(=O)n(C)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSIPKQSGXWXHK-UHFFFAOYSA-N", "SMILES:CNC(=O)C1(N(CC(c2ccccc2)c2ccccc2)C(=O)c2cc(C)c(=O)n(C)c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLYCVWNOHZOGE-UHFFFAOYSA-N", "SMILES:CCNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1c[nH]c(=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYSONKOTTCEWMY-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cn(C)c(=O)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQAXYXRILKSWNR-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBGSCTPDAVCTBJ-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTXHLWZQKQDFRF-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMFBODMWKWBFOK-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL571956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXJRYNOBBVODML-IZZDOVSWSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34398", "category": ["biolink:ChemicalEntity"], "name": "4'-METHOXYCHALCONE", "xref": ["InChIKey:KJHHAPASNNVTSN-KPKJPENVSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL287445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMGRZFTLSKBAP-UHFFFAOYSA-N", "SMILES:CC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558642", "category": ["biolink:ChemicalEntity"], "name": "GSK-650394", "xref": ["InChIKey:WVSBGSNVCDAMCF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMHELCDKYDUPA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2c[nH]c3ncccc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZZXEPJJXLJJEJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2coc3ncc(-c4ccccc4)cc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHUZOSZDWEDHS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2coc3ncccc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIHGFLPDHFTNOG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2csc3ncc(-c4ccccc4)cc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEPJOYCLLKGIY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2csc3ncccc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INEGAMNZHSDHEF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cnn3ccc(-c4ccccc4)cc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXDMIDQXZVLPIP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cnn3ccccc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVFQVJPQKNVPY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cnn3ccc(-c4ccccc4)nc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYPHZQQVVFWOQJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cnn3cccnc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCZOXFYHVGEAPI-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccccc2)cc2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVKRXPQUPKYNFR-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYDMRHKXWFMUFF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccnc3[nH]c(-c4ccccc4)nc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZBKCBBDEXENPV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccnc3[nH]cnc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFADNDFWGOJIT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ncnc3cc(-c4ccccc4)sc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKIHVJIMTWMQNF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ncnc3ccsc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSJMCJHHQPVKHK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ncnc3sc(-c4ccccc4)cc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPARVJYVENJOLF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ncnc3sccc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTPTRYIPKEMBW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccnc3ccc(-c4ccccc4)cc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPATWHLHNLJLTB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccnc3ccccc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDVBNYJXZKZVTD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ncnc3ccc(-c4ccccc4)cc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAWJLYJQCYKFKV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ncnc3ccccc23)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGBHEXCDTREOQR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccncn2)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIOLMRSZBADBV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccnc(-c3ccccc3)n2)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYIVQMHOULGOR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHNUJIBUPPPFFF-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2ccc(C(=O)O)c(C3CCCC3)c2)n1"]}
{"name": "Peripheral plasma membrane protein CASK", "xref": ["CHEMBL.TARGET:CHEMBL1908381"], "id": "UniProtKB:O14936", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVDZYKPXBFJYRB-PXOHRUDZSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQSAJTFFAAGPLU-ZCIWVVNKSA-N", "SMILES:CCNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBVBKOWYLKALW-XQZLXVFMSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccc(C)o5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEFEXOHUPJOTB-HTCVQUQYSA-N", "SMILES:Cc1coc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(N6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNEFJCINASUYMQ-XQZLXVFMSA-N", "SMILES:Nc1ncnc2c1c(-n1cccn1)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQAURCOIDGAEQ-YUSZHSHMSA-N", "SMILES:Nc1ncnc2c1c([C@@H]1CCCO1)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUNBAZWFRYHNLH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(C3(Nc4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWYPOPSURFOND-QGZVFWFLSA-N", "SMILES:CC(=O)N1CCN(c2ccc([C@@H](C)Nc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWYPOPSURFOND-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(C(C)Nc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWYPOPSURFOND-KRWDZBQOSA-N", "SMILES:CC(=O)N1CCN(c2ccc([C@H](C)Nc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJBBHDQGGBNAJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(C3(Nc4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBJQKBMTYYCMPF-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(C3(Nc4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGNEDMIYWJYDW-ZETCQYMHSA-N", "SMILES:C[C@@H]1OC(=O)NN=C1c1ccc(OCCC(F)(F)F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALOSYUZXDLJDEX-QMMMGPOBSA-N", "SMILES:CCCOc1ccc(C2=NNC(=O)O[C@H]2C)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUUQUXVYSVHFQW-SFYZADRCSA-N", "SMILES:C[C@@H]1OC(=O)NN=C1c1ccc(OC[C@@H](C)F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCRJVINJPUMCL-ZETCQYMHSA-N", "SMILES:CCOc1ccc(C2=NNC(=O)O[C@H]2C)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AURKSSULMWZOAP-RDJZCZTQSA-N", "SMILES:CCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNC[C@@H](F)C3)cn2)c1"]}
{"name": "Diacylglycerol O-acyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL5853"], "id": "UniProtKB:Q96PD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYEBWRQMQJIYTL-ZWKOTPCHSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCC[C@@H]3F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBXJSPVZIPJMX-IRXDYDNUSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNC[C@@H](F)C3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBQFIHUGFHQGB-QZTJIDSGSA-N", "SMILES:CCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCC[C@H]3F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSWAPBXPQPQJU-APTPAJQOSA-N", "SMILES:CCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CNCC[C@@H]3F)cn2)c1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STEOFTXCZZHZJZ-INIZCTEOSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCC(F)(F)C3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJKMYXVANYEDFD-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc2c1CC(=O)NS(=O)(=O)c1nn(cc1F)C(C)(C)COc1cc-2ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZPMTUXLFXEYIB-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc2c1CC(=O)NS(=O)(=O)c1cnn(c1)C(C)(C)COc1cc-2ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVCOSEWTNRTCRO-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(F)cc2c1CC(=O)NS(=O)(=O)c1cnn(c1)C(C)(C)COc1cc-2ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYGUUXCARXHKK-UHFFFAOYSA-N", "SMILES:COc1cn2nc1S(=O)(=O)NC(=O)Cc1c(cccc1C(C)C)-c1ccnc(c1)OCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHYNCHJUUJFCT-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc2c1CC(=O)NS(=O)(=O)c1cnn(c1)C1(CC1)COc1cc-2ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGGUGOGMMPUTR-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(F)c(F)c2c1CC(=O)NS(=O)(=O)c1nn(cc1F)C(C)(C)COc1cc-2ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYAGORGCXLWTDI-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(F)c(F)c2c1CC(=O)NS(=O)(=O)c1cnn(c1)C(C)(C)COc1cc-2ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGZZSQUVLJHBT-UHFFFAOYSA-N", "SMILES:CC(C)c1c(F)c(F)cc2c1CC(=O)NS(=O)(=O)c1cnn(c1)C(C)(C)COc1cc-2ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWOQPDTXJOYDK-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]nnc1Sc1ccc(Cl)cc1"]}
{"name": "2-Hydroxyacid oxidase 1", "xref": ["CHEMBL.TARGET:CHEMBL4229"], "id": "UniProtKB:Q9UJM8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HESBKZYQLSNUJF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3cccc(Sc4[nH]nnc4C(=O)O)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBJCYAKNWIURTJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(Oc4[nH]nnc4C(=O)O)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOCUPZPWKLGEHU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(-c4cccc(Oc5[nH]nnc5C(=O)O)c4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGHHCBVTKMRAO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(-c4ccc(Oc5nn[nH]c5C(=O)O)cc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTXMYFXODHSEMB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(-c4ccc(Sc5nn[nH]c5C(=O)O)cc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKBYJQYJUTZLDS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(-c4ccc(-c5nn[nH]c5C(=O)O)cc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2059811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGFJAJFBGVAOFW-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NC(=O)CCNC(=O)CCCc3ccc(CC(C(=O)O)C(=O)O)cc3)cc2s1"]}
{"name": "L-lactate dehydrogenase A chain", "xref": ["CHEMBL.TARGET:CHEMBL4879426"], "id": "UniProtKB:P06151", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMLWRZOUOGMDNS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(-c3ccc(Br)cc3)cc2)=C1O"]}
{"name": "Hydroxyacid oxidase 1", "synonym": ["(S)-2-hydroxy-acid oxidase"], "xref": ["CHEMBL.TARGET:CHEMBL4879408"], "id": "UniProtKB:I3LVF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1794748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDYKFFAREALEPX-UHFFFAOYSA-N", "SMILES:O=C(O)c1nnsc1Sc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZPFPQAXAREGM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCSc1[nH]nnc1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4858196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLHGHHMSGQREN-IYBDPMFKSA-N", "SMILES:O=C(NCCCP(=O)(O)O)c1ccc2c(C(F)(F)F)c(O[C@H]3CC[C@@H](C(F)(F)F)CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDUFQKFQCNBLQ-IYBDPMFKSA-N", "SMILES:O=C(O)CCCNC(=O)c1ccc2c(C(F)(F)F)c(O[C@H]3CC[C@@H](C(F)(F)F)CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDQHELTRBMLQM-CALCHBBNSA-N", "SMILES:O=C(O)CCCNCc1ccc2c(C(F)(F)F)c(O[C@H]3CC[C@@H](C(F)(F)F)CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAZIVEJARYOHAL-KDURUIRLSA-N", "SMILES:O=C(O)C1CCN(Cc2ccc3c(C(F)(F)F)c(O[C@H]4CC[C@@H](C(F)(F)F)CC4)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYYBKSHLPVSPL-KJNVOKBTSA-N", "SMILES:C[C@H]1CC[C@@H](Oc2ccc3cc(CN4C5CCCC4CC(C(=O)O)C5)ccc3c2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPZLHGKDWIHEP-KJNVOKBTSA-N", "SMILES:C[C@H]1CC[C@@H](Oc2ccc3ccc(CN4C5CCCC4CC(C(=O)O)C5)cc3c2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGGCKUWCSTHKY-SWOBIMPZSA-N", "SMILES:C[C@H]1CC[C@@H](Oc2ccc3ccc(CN4C5CCC4CC(C(=O)O)C5)cc3c2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERDYVGRKLJTIJ-SQTBUWMHSA-N", "SMILES:C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C)CC3)c(C(F)(F)F)c2c1)N1C2CCCC1CC(C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERDYVGRKLJTIJ-OTDPMDFUSA-N", "SMILES:C[C@H](c1ccc2ccc(O[C@H]3CC[C@@H](C)CC3)c(C(F)(F)F)c2c1)N1C2CCCC1CC(C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBVJNRYMZQZLO-SJXCIRCQSA-N", "SMILES:C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBVJNRYMZQZLO-QZWFPMSHSA-N", "SMILES:C[C@H](c1ccc2ccc(O[C@H]3CC[C@@H](C)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZASAAIJIFDWSB-BFWXTJNGSA-N", "SMILES:C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZBDRGXCKPVJU-MRXNPFEDSA-N", "SMILES:CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4862340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQPEDMEOBLSQB-RPHKZZMBSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4859399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFEUJDWYNGMDBV-RPHKZZMBSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4859920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACKXCNXSQYSCQN-CIWHICPZSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1159651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBGYTABKSRVRQ-QKKXKWKRSA-N", "SMILES:OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4868851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEIIBWPCCAUNBG-GWHANOICSA-N", "SMILES:CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLRVVLDZNNYCBX-VDGMBKLFSA-N", "SMILES:OC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4855230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBBOLNLMNXWFK-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)N1OS(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQVWEIWMNTBIE-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)N1OS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVFQFTUMOZPJGL-UHFFFAOYSA-N", "SMILES:O=C(OCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUHKWWRHZIUGB-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYCWBGVSQSFKED-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"name": "Presenilin-associated rhomboid-like protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4879516"], "id": "UniProtKB:Q9H300", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNHKZFLCNTIFR-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)N1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSHNISHEMOJODV-DOFZRALJSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCP(=O)(O)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZYZDWOTYBTZQO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)ON1C(=O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXHWSGBKBZSXHR-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)ON1C(=O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYXOFWOJPFUTBV-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)ON2C(=O)CCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGBOXWPEDSXCSY-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)N1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSWULYWUYZXRHV-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)N1OS(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1504009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCNIOLRCHODJL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL142025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZVIAOIHWLOXPX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)ON1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL344191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOOSNAMLXYGGR-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)ON1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBDMJCPHXJUPK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLIQEOIMZFHNL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYDFONAQOIKHW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWGLAITSUOXNS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXARAOFWCKHLI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1C(=O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDBUUALAYXNQQ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1C(=O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNIRICFTZWSCQ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C(=O)CCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMSJZDSMFJFAB-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)N1S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1735938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGXSKCHHCQOWDH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCJPRBGGRIVABG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLBKMUUDHMSEFF-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVSGYOODONUGT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKBXPAOROVRSIW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMPMXHLDRQVMG-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCGYLBRALFXNM-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMGUDBNWJWBAEG-ARFHVFGLSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(O)Oc3cccc4c(C)cc(=O)oc34)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"name": "5'-3' exonuclease PLD3", "xref": ["CHEMBL.TARGET:CHEMBL2769"], "id": "UniProtKB:Q8IV08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCBRHROVPMLJI-NUEKZKHPSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)Oc3cccc4c(C)cc(=O)oc34)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GARWHKNSBLVQGD-BFHYXJOUSA-N", "SMILES:Cc1cn([C@H]2C[C@H](OP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWOAVOYBVRQNIZ-BFHYXJOUSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O"]}
{"name": "5'-3' exonuclease PLD4", "xref": ["CHEMBL.TARGET:CHEMBL4879501"], "id": "UniProtKB:Q96BZ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HINFPZMLNCBXAT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(SCC(=O)O)nc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLDMYLHULXCMSS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(CC(=O)O)c(=N)n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFKBGKKOEMXSOY-UHFFFAOYSA-N", "SMILES:Cc1nc(SCC(=O)N2CCC(C)CC2)c2ccsc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGTXIJEYNBKMD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDBOMFKGPSNJPR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOIGFEZYUSGPKL-AWEZNQCLSA-N", "SMILES:Cc1ccc(NC(=O)[C@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOIGFEZYUSGPKL-CQSZACIVSA-N", "SMILES:Cc1ccc(NC(=O)[C@@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BODWOVLGSBVTDS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2ncc(F)cc2=O)cc1S(=O)(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOQDUIBFZGAAN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2ncc(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXDCFRRDENJUJM-HNNXBMFYSA-N", "SMILES:Cc1ccc(NC(=O)[C@H](C)n2ncc(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXDCFRRDENJUJM-OAHLLOKOSA-N", "SMILES:Cc1ccc(NC(=O)[C@@H](C)n2ncc(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMCTZYMJRIXUQC-UHFFFAOYSA-N", "SMILES:CC1(C)CC(Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGMWRLHHPXYQS-BETUJISGSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1N[C@H]1C[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGMWRLHHPXYQS-JOCQHMNTSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1N[C@H]1C[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFXUGXTGVGJAZ-VDISTLRHSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NC[C@H]1C[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFXUGXTGVGJAZ-YEORSEQZSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NC[C@H]1C[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGZCYMKYBPJTCU-GASCZTMLSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1N[C@H]1CC[C@@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSKDZAJCSLLJV-IYBDPMFKSA-N", "SMILES:N#Cc1cnc(NCc2ccccc2C(F)(F)F)cc1N[C@H]1CC[C@@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGZCYMKYBPJTCU-SHTZXODSSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSKDZAJCSLLJV-WKILWMFISA-N", "SMILES:N#Cc1cnc(NCc2ccccc2C(F)(F)F)cc1N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBAFFQVHQFLEL-IYBDPMFKSA-N", "SMILES:CO[C@H]1CC[C@@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBAFFQVHQFLEL-WKILWMFISA-N", "SMILES:CO[C@H]1CC[C@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIXULDEDZVLBV-AKAXFMLLSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NC[C@H]1CC[C@@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIXULDEDZVLBV-SAZUREKKSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NC[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTKKKSLRBSESP-KDYLLFBJSA-N", "SMILES:CO[C@H]1CC[C@@H](CNc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTKKKSLRBSESP-CZIWCDLHSA-N", "SMILES:CO[C@H]1CC[C@H](CNc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJSQFAXPRLZRJ-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZNUEJWLMPAAC-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NCC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWGSOZRAUCGAY-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NCCC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWGBYGYHROJFLD-XBXGTLAGSA-N", "SMILES:N#Cc1cnc(NCc2ccccc2C(F)(F)F)cc1N[C@H]1C[C@@H](C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWGBYGYHROJFLD-MQMHXKEQSA-N", "SMILES:N#Cc1cnc(NCc2ccccc2C(F)(F)F)cc1N[C@H]1C[C@H](C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBBEKGAHSYAKD-AKAXFMLLSA-N", "SMILES:N#Cc1cnc(NCc2ccccc2C(F)(F)F)cc1N[C@H]1CC[C@@H](C(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFZRTPAYLSXMM-JNSHFYNHSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1N[C@H]1CC[C@@H](C(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHXBXTJEURVRSV-AKAXFMLLSA-N", "SMILES:CNC(=O)[C@H]1CC[C@@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKDRWYCDBWRACT-KDYLLFBJSA-N", "SMILES:CN(C)C(=O)[C@H]1CC[C@@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJTYEMVQAIHJNA-AKAXFMLLSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1N[C@H]1CC[C@@H](c2nc[nH]n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBBBKOYUBYDTO-CALCHBBNSA-N", "SMILES:N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1N[C@H]1CC[C@@H](n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKPGRCQXAFOKT-CALCHBBNSA-N", "SMILES:N#Cc1cnc(NCc2ccccc2)cc1N[C@H]1CC[C@@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHOONMCSKWHRY-OKILXGFUSA-N", "SMILES:N#Cc1cnc(NCc2cncnc2C(F)(F)F)cc1N[C@H]1CC[C@@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGSXFHKYFQXJY-IYBDPMFKSA-N", "SMILES:CC(C)(F)c1ncncc1CNc1cc(N[C@H]2CC[C@@H](O)CC2)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKSMXUHBNRXFZ-BGYRXZFFSA-N", "SMILES:N#Cc1cnc(NCc2cncnc2-c2ccccc2)cc1N[C@H]1CC[C@@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUMNMGQJQBYDMR-GASCZTMLSA-N", "SMILES:COc1ncncc1CNc1cc(N[C@H]2CC[C@@H](O)CC2)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTCNCUIPQVXVOR-CALCHBBNSA-N", "SMILES:CC(C)(C)Oc1ncncc1CNc1cc(N[C@H]2CC[C@@H](O)CC2)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGMCAODGHZKDH-GASCZTMLSA-N", "SMILES:N#Cc1cnc(NCc2cncnc2OCC(F)F)cc1N[C@H]1CC[C@@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRKIWLCZVXSNKH-MOBUCQHHSA-N", "SMILES:CC1(C)C[C@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC(C)(C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRKIWLCZVXSNKH-UKIBZPOASA-N", "SMILES:CC1(C)C[C@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC(C)(C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDRCTDRTPPONJY-QAPCUYQASA-N", "SMILES:CC1(C)C[C@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDRCTDRTPPONJY-CRAIPNDOSA-N", "SMILES:CC1(C)C[C@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDRCTDRTPPONJY-MAUKXSAKSA-N", "SMILES:CC1(C)C[C@@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDRCTDRTPPONJY-YJBOKZPZSA-N", "SMILES:CC1(C)C[C@@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUQFRAINFQCKDW-ZBFHGGJFSA-N", "SMILES:CC1(C)C[C@H](Nc2nc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLWNCNFYOUHJB-KGLIPLIRSA-N", "SMILES:CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLWNCNFYOUHJB-ZIAGYGMSSA-N", "SMILES:CC1(C)[C@H](O)C[C@H]1Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLWNCNFYOUHJB-UONOGXRCSA-N", "SMILES:CC1(C)[C@H](O)C[C@@H]1Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLWNCNFYOUHJB-KBPBESRZSA-N", "SMILES:CC1(C)[C@@H](Nc2nc(NCc3cnccc3C(F)(F)F)ncc2C#N)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLJJDZMBYLCWHR-GDBMZVCRSA-N", "SMILES:CC1(C)[C@@H](C(N)=O)C[C@H]1Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLJJDZMBYLCWHR-GOEBONIOSA-N", "SMILES:CC1(C)[C@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLJJDZMBYLCWHR-HOCLYGCPSA-N", "SMILES:CC1(C)[C@@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLJJDZMBYLCWHR-ZBFHGGJFSA-N", "SMILES:CC1(C)[C@@H](Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)C[C@@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOCBXNRYHTANC-KGLIPLIRSA-N", "SMILES:CC(C)(F)c1ncncc1CNc1ncc(C#N)c(N[C@@H]2C[C@H](O)C2(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRGJUOHIDUNWCQ-OLZOCXBDSA-N", "SMILES:CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cncnc2OCC(F)F)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKGJQHNYMWDFJ-CVEARBPZSA-N", "SMILES:CC(F)(F)COc1ncncc1CNc1ncc(C#N)c(N[C@@H]2CC[C@H](O)C(C)(C)C2)n1"]}
{"name": "Protein kinase C theta type", "xref": ["CHEMBL.TARGET:CHEMBL1075295"], "id": "UniProtKB:Q02111", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHXKUWQFTWBSX-UHFFFAOYSA-N", "SMILES:Fc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPQVESMHCVOACT-UHFFFAOYSA-N", "SMILES:Fc1cccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCUDXQLXFAALB-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Sc1nc(Cl)nc(Nc2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URXIMQMZYBHMLX-UHFFFAOYSA-N", "SMILES:Fc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIOODYBYZYQIM-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(Sc3ccc(Cl)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPFIRKHDKQNTCF-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(Sc3ccc(Br)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKQDZZGNXTGNU-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(Sc3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOQJJFCWQHNVGW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIXXQWNRHBVRCP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKLRDTWIXWAQRY-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNZJAYCHSSKIP-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOBLEDSUBXECPI-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMQQBTXFIERJU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKJDXKTEWTKIY-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJIJEURBONGGS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNAIRCRGNHFNW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTMKRGARYLIMGL-UHFFFAOYSA-N", "SMILES:CCc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJJTUUIHTZRRCQ-UHFFFAOYSA-N", "SMILES:CCCc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMLJVMWHCHKGJX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRKBZWPHEVZQHH-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLUCURSPJMXWMR-UHFFFAOYSA-N", "SMILES:CCCNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFIRGDACTLDEDI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N3CCN(CCO)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKLROXKTGNTRD-UHFFFAOYSA-N", "SMILES:CC#Cc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL412119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZWDJIHABLBSP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1cccc3ccccc13)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUDXRNQPVSMGDW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)ccc1O)Nc1cc(C(F)(F)F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECPXAKISSCITD-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(O)cc1F)c1cc(O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1462302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJDULHCELCQOW-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1ccco1)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVDWKFUEFSARG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXMQOHNKJKVAS-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQZKTQXRLKGQSQ-UHFFFAOYSA-N", "SMILES:CSc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIASNTCWWLGIOK-UHFFFAOYSA-N", "SMILES:Oc1ccc(Sc2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKHBQLMQYBJDA-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAIHMRIMYJTJPI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCDZQCVPHWFQI-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc(Cl)nc(Nc2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOZPSYWSBURAOI-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(Cl)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVXDWITXIZDFI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Cl)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTCPEMJAUFTOO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCRWHSVIXCFML-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Cl)nc(Nc3cccc(OC(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXXZIYFSXCTQY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(NCc3ccccc3)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXWCDNLDNYZVHW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N(C)c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQZLFZCKDJBOO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N3CCN(C)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINWKYVQZNIRPR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDODKCKYPCHJK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C#Cc3ccc(C)cc3)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFKBAQBHGCBIH-UHFFFAOYSA-N", "SMILES:Cc1nc(Cl)cc(Nc2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBOMODCJOGCDE-UHFFFAOYSA-N", "SMILES:Cc1nc(Cl)cc(Nc2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCHQRRNIJHDEH-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1-n1cnc2nc(SCc3ccccc3)sc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCQIHPPMKTGJF-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(S(N)(=O)=O)cc2)c(C(=O)CC2CC2)n(C)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYIIYIJHDMIABW-UHFFFAOYSA-N", "SMILES:CCC(=O)c1sc(-c2ccc(Cl)cc2)c(C)c1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSVHWCIKVSTTH-UHFFFAOYSA-N", "SMILES:OCc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWOACMXGMBUZBT-YHMJZVADSA-N", "SMILES:CC(C)[C@H]1CCC2C(=O)CC(=O)C=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWOULTWHIAHFHO-XDKWHASVSA-N", "SMILES:O=C1C=C2C(CC[C@@H]2Cl)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTYHNTGZCNBWBN-NFJWQWPMSA-N", "SMILES:CC(C)[C@H]1CCC2C(=O)CCC(=O)C=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIPYRCIHPLSISO-AXDSSHIGSA-N", "SMILES:CCOC(=O)[C@H]1CCCC2C(=O)CC(=O)C=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNDICCZMYCRDBO-XYSPPFBYSA-N", "SMILES:CCCC1CCC([C@@H]2CCC3=CC(=O)CC(=O)C3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPKISJQNIGQQB-IURRXHLWSA-N", "SMILES:O=C1C=C2CC[C@@H](NC(=O)OCc3ccccc3)CC2C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLKZJKDTJLOLQ-UHFFFAOYSA-N", "SMILES:O=C1C=C2CCCCC2C(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTDRLAZGTLGRGV-YMNIQAILSA-N", "SMILES:C[C@H]1CCC2C(=O)CCC(=O)C=C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBJGWQQJZMGGD-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)cc2)Oc2cc(OC(=O)N3CCCCC3)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJIZZBSOBHHSCY-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)cc2)Oc2cc(OC(=O)N3CCOCC3)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNAMNHCXRAYTF-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTGPFSWZCDEEC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1ccc(C2CC(=O)c3c(O)cc(OC(=O)N(C)C)cc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDZRCXTWGQLJW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CC1CCC2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VASVLAOAZFZUQY-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1c2c(nn1-c1ccc(F)cc1F)C1CCC(C2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIZSOHGPLLUEV-IACUBPJLSA-N", "SMILES:CC(C)(C)[C@@H](CO)NC(=O)c1nn(-c2cnccn2)c2c1C[C@@H]1CC[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIZSOHGPLLUEV-KWCYVHTRSA-N", "SMILES:CC(C)(C)[C@@H](CO)NC(=O)c1nn(-c2cnccn2)c2c1C[C@H]1CC[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KODPCEVIFQEROT-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(F)(F)F)CCC1)c1nn(-c2cnccn2)c2c1CC1CCC2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDFSAXHSYUATJ-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC1C3)C2)c1nn(-c2cnccn2)c2c1CC1CCC2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGCTUECVSKBGTR-UHFFFAOYSA-N", "SMILES:O=C(NC12CC(C1)C2)c1nn(-c2c[n+]([O-])ccn2)c2c1CC1CCC2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQCJRADEDHJOH-UHFFFAOYSA-N", "SMILES:O=C(NC12CCC(CC1)CC2)c1nn(-c2c[n+]([O-])ccn2)c2c1CC1CCC2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYYXSDNOHZGSL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nnc(-c2nn(-c3c[n+]([O-])ccn3)c3c2CC2CCC3O2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPNWAWPKOWQPW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1c2c(nn1-c1c[n+]([O-])ccn1)C1CCC(C2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJPNCGFMVLYFTD-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1noc(-c2nn(-c3cnccn3)c3c2CC2CCC3O2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCAEXQYKDXJFI-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC1C3)C2)c1nn(-c2ccc(F)cc2F)c2c1CC1CCC2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MONALPJXLGOEDL-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1c2c(nn1-c1cnccn1)CC1CCC2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNGPHOXMEIKZPP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1c2c(nn1-c1c[n+]([O-])ccn1)CC1CCC2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQARXIBZEVLFMI-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3cccnc3cc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYBEZILSSFQFH-FTJBHMTQSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3cccnc3cc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKTFKZLLNYCXES-FTJBHMTQSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3cccnc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEGQHRJRAAFESX-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(N4CCCC4)nc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLZRRPKVKWPQM-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3cccnc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEXBWEBSXKCCSI-WDYNHAJCSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWIFZMHPHFCCOU-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(F)c2c(c1)CCN(C1CCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYAWIVYRYLKVIP-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3ccccc31)CCN(Cc1ccc(C(=O)NO)cc1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJAAQIWWUBHTR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CC3(CCOC3)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINMEFINVKAQLB-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(C(=O)NO)ccc2CN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFIROPBYMAWDV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(F)c2c(c1)CCn1cccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNQXZWMWWVUMN-KRWDZBQOSA-N", "SMILES:CN1CC2(CCCCC2)CC[C@H]1Cc1cc(F)cc(C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZSKTLJQHOQSU-UHFFFAOYSA-N", "SMILES:CC1(C)C=C(c2csc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc23)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXNAKRLUCGVJEU-UHFFFAOYSA-N", "SMILES:CC1(C)CC(n2nnc3cc(-c4ccc(-c5nccs5)cc4O)nnc32)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFGGSEMUUYIZBV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(n2nnc3cc(-c4ccc(-c5ncco5)cc4O)nnc32)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCBHDGQVZTZLE-UHFFFAOYSA-N", "SMILES:CC1(C)CC(n2nnc3cc(-c4ccc(-c5nncs5)cc4O)nnc32)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSFSXYSTJPUPK-UHFFFAOYSA-N", "SMILES:COc1ncnc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850295", "category": ["biolink:ChemicalEntity"], "name": "VOTOPLAM", "xref": ["InChIKey:ICZNVPJUHBURBG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(n2nnc3cc(-c4ccc(-n5nccn5)cc4O)nnc32)CC(C)(C)N1"], "synonym": ["Votoplam", "Votoplam", "Votoplam", "PTC518", "Votoplam"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRFBDGKLSPYPM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cn2ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUBQUIJPUACIG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEOZJENUDOYMMU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJDSCWFLGCINB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc3[nH]c4ccc(C5CCNCC5)cc4c3c(C)c2C)cn2ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRVJXOMJJHHNB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc3[nH]c4ccc(C5CCNCC5)cc4c3cc2C)cn2ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLNCBZVZEPUMGA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCN(CC(C)(C)O)CC4)cc23)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXGMLPREIKZQY-CGHJUBPDSA-N", "SMILES:COc1ccc(CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c(OC)c1"]}
{"name": "Protein Wiz", "xref": ["CHEMBL.TARGET:CHEMBL4879424"], "id": "UniProtKB:O95785", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWBODTYPCOOML-GEPVFLLWSA-N", "SMILES:CC(C)(C)c1ccc(CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHQRQIVWNGUMS-RXVAYIKUSA-N", "SMILES:O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4ccc(N5CCCCC5)cc4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLYHHNSMIGLQK-UFUCKMQHSA-N", "SMILES:O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4ccc(C5(C(F)(F)F)CC5)cc4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILXOWOYLHIFRCQ-ITUIMRKVSA-N", "SMILES:O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4ccc5c(c4)OC(F)(F)O5)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUSITLXODVELF-RXVAYIKUSA-N", "SMILES:O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4ccc(C5=CCOCC5)cc4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSIZASRGFVKTTQ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2cc3nc(C(O)c4c(F)cccc4F)nn3c(N)n2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLMDXWWQMNKSI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nc(N)n3nc(C(O)c4c(F)cccc4F)nc3c2C#N)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGDDPYSVZXKSS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nc(N)n3nc(Cc4cccnc4)nc3c2-c2ccncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDIMPXNTABEEDG-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1c(-c2cccc(C#N)c2F)nc(N)c2nn(Cc3ccccn3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDTYMQWVZMEAGS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nc(N)c3nn(Cc4ncccc4F)nc3c2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZAQSNJJLYBWHO-UHFFFAOYSA-N", "SMILES:Cc1ncoc1-c1c(-c2cccc(C#N)c2)nc(N)c2nc(C(N)c3c(F)cccc3F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTGRJSKXOVCJGC-VIZZQPHQSA-N", "SMILES:C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)ncn2)N1S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZYIBERUTGMWIW-WILYLXEWSA-N", "SMILES:C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncn2)N1S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGDUOYYDKBPRCV-TUIFFPIZSA-N", "SMILES:C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXNECXVRZKGGH-UOXRKKOCSA-N", "SMILES:C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C(F)(F)F)N1S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSSHXKVUURRAKX-LBPRGKRZSA-N", "SMILES:Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYWFSLKYTRCPPA-MQMHXKEQSA-N", "SMILES:Cn1cnc2ncn(Cc3nn([C@H]4C[C@H](c5ccc(Cl)cc5)C4)c(=O)o3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXCDDIGJGSYRSZ-FOLVSLTJSA-N", "SMILES:Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5CN(c6cccc(Cl)c6)C[C@@H]54)no3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLQOTZNBCEHHB-GXTWGEPZSA-N", "SMILES:Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLHFDIVBMPGGU-INIZCTEOSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n(-c3c(F)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRMGNRXVMMJSY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(-c2cccc3ccccc23)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSERMIPXNLXAPD-MJMYBOKFSA-N", "SMILES:CC[C@@H]1[C@@H](C)O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(O)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4874826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWIFXDFISVKDAT-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nccn2c1)c1nnc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMTXYYRZQPYQS-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(C3CC3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNCYFMUTMBPAJT-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(-c3ccccc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGAXFMSGQNRAC-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(-c3ccccc3F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUZYREPIQDATAM-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMJCDPRKUXFMK-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(-c3ccccc3C#N)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRASXRMCOQSPI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQFQRBJOGFHEDB-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXIJRRHSUDWRPM-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPSOVUJWIMLCRX-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSQCGAASUFADY-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUSCNFZYEUAAPG-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLOQBZTXAWWJT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJNAASAKVZJNI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEVMJKHQEUHONY-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNSHWVBULOTYEY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)cnc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZKKDCJMKYYHK-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPUSHJJGPFEFGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)n[nH]c2C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERBYZUNBVTZJZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOJVVUQLHLHRMD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C#N)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUNDXUVTKODMCV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C#N)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGPQCFMXBFDLN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C(F)F)c2C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNGCWFPZUBLLOJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nc(C)n2C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOXUEUUXDNQMCT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(C(=O)N(C)C)n3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJJGXAEXZHYMI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(-c4ccccc4)n3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYUHIXSXWHTNEO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(-c4cnn(C)c4)n3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMADOKMWMOETN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(C4CCN(C)CC4)n3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMAJOUIXIRWQLC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(-c4cnn(CCN(C)C)c4)n3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMSMTHWQRRSNV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)cnc1-c1nnc(N(C)Cc2ccc3ncc(-c4cnn(CCN(C)C)c4)n3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIXXCVLEHVEBZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)cnc1-c1nnc(N(C)Cc2ccc3ncc(-c4ccc(CN(C)C)cc4)n3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOQXSAZJQQAWOQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)cnc1-c1nnc(N(C)Cc2ccc3ncc(-c4cccc(CN(C)C)c4)n3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTBSDUWDAGZLFH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)cnc1-c1nnc(N(C)Cc2ccc3ncc(-c4ccc(CN(C)C)nc4)n3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKCQNVNPUJABZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)nn(C)c2C)cnc1-c1nnc(N(C)Cc2ccc3ncc(-c4ccc(CN(C)C)cn4)n3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVWQFJFCAUNFY-ACHIHNKUSA-N", "SMILES:CN1CCN(Cc2ccc(-c3ccc(CO[C@H]4CCC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWUFZGRXZMNNTM-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZEVUWLUKNYTLV-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQQOMKBMLHBDFG-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1ccnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRVQMOXDTTVCFH-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEKABMASRCHCJO-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(C2CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNVASKZCKBOXDO-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(C2=CCN(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRDHUWKQAFXNI-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(C#CCN2CCN(C(C)C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHKDTJDECRFNNM-KDURUIRLSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(C#CCN2C[C@@H](C)O[C@@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZQJUHUIQZOIB-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDAXIXBZLNLYRI-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBQRIOODLGVTA-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCNCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYXMRJMVWFEYNI-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDCXAYZGVUQYOO-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2cccc(CN3CCCCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVVZXICAFFNMP-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2cccc(CN3CCCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVDCFXFNAMIPR-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFPTIZZKYEKLN-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C(C)C)CC3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOMOIFTHZOTFO-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZWRJTXPNXCLMU-OYRHEFFESA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBEOOGVPVVLLQL-SZPZYZBQSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3C[C@@H](C)N(C)[C@@H](C)C3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGWSWFHUOBSIBO-UHFFFAOYSA-N", "SMILES:COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(N3CCN(C(C)C)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPHJDOCHBUUJJH-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWXLBZZHWIABCM-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCWLHNBSUDOEE-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCCC3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCFBNVGQXVMWGW-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C(C)C)CC3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMJVGJZYPBGJNW-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJMENULUKECRL-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)C)CC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQVPYNCHSLNGV-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)C)CC3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBOMSUFUDLNEOU-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCC(C(C)(C)O)CC3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYEOWMYSNXSXCF-BGYRXZFFSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFDATPUGCDDEH-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)(C)C)CC3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFXRVJLZAMXWCL-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCCC3)cc2)c1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTVNYDXDNLZHNF-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)C)CC3)c(F)c2F)c1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLASFDALSYSWPR-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)(C)C)CC3)cc2)c1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUHCJHVTKGYFCP-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(C#CCN2CCN(C(C)C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGMGZWJJMJWEV-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJKJYJADVPJEV-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)C)CC3)c(F)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZVZXEXBPBANNT-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)(C)C)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KILRHXHNWGQKSS-UHFFFAOYSA-N", "SMILES:COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C(C)C)CC3)cc2F)c1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZAFGXCWAWRULT-UONOGXRCSA-N", "SMILES:CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVITSUXBQZDFS-ZCFIWIBFSA-N", "SMILES:Cn1ncc(N[C@@H]2CCNC2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVITSUXBQZDFS-LURJTMIESA-N", "SMILES:Cn1ncc(N[C@H]2CCNC2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPPHANDICKARV-MRVPVSSYSA-N", "SMILES:CN1CCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZHCENKGUMJQPY-UHFFFAOYSA-N", "SMILES:Cn1ncc(NC2CNC2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JETPXULQEWGANS-UHFFFAOYSA-N", "SMILES:Cn1ncc(NC2CCCCNC2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWVFDRCVLQRHME-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2ccccc2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENKRCNCEYYFRK-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2ccc(N)cc2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMOKGCAFEOMLSC-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2ccc(F)cc2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXJGEQZJSARLEN-UHFFFAOYSA-N", "SMILES:Cn1ncc(NCc2cccc(N)c2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQSWFRGHKVLDP-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERLHNQOXJXDPS-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFMNJCUEVHZUMC-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2ccc3c(c2)CCNC3)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZQFJJGIJFKMFN-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2ccc3c(c2)CNCC3)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWCQBRMBTHMFHB-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2ccc3c(c2)CCCC3)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOCLSZCFKMSLC-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2cccc(CN)c2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHVGMQWGTYKZJL-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2ccccc2CN)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOJUBDPMUVUQJE-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOQAFGWMKNIVAR-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMOXVZIZCRBKJB-UHFFFAOYSA-N", "SMILES:CN(C)CCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBHUJOPBRSVAM-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1c(Cl)cnn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIUXKWFQVPTMEQ-UHFFFAOYSA-N", "SMILES:Cn1ncc(Nc2ccc(CCN)cc2)c(Br)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORQWFZBNDBULQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMIUODDCXRSOF-UHFFFAOYSA-N", "SMILES:CCn1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXHSEYWYHGZDGJ-UHFFFAOYSA-N", "SMILES:N#CCn1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYLMPLQULARSL-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFTAYZLGTCEXAY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(Nc4ccc(F)cc4)c3n2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJLAZUHVNGPLW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(Nc4ccc(O)cc4)c3n2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STQNTZGKYOJTGA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEAJNJJPWHYFJT-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1Nc1ncnc2ccc(-c3ccc(C(=O)N4CCNCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPZBGSCEEAHWNK-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWTKVRZMQJINSD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(F)ccc1Nc1ncnc2ccc(-c3ccc(C(=O)N4CCNCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULECQUNQVVBYOR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(C#Cc2ccccc2Nc2ncnc3ccc(Cl)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFCRPZFVFTHCW-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1cccc(C#Cc2ccccc2Nc2ncnc3ccc(Cl)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLWEFRZOIVUMI-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C#Cc2ccccc2Nc2ncnc3ccc(Cl)nc23)c1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJUWQZTSIFWBX-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(C#Cc2ccccc2Nc2ncnc3ccc(Cl)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRTLBVGBRQOPOF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSOPTJECAPSDL-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N(C)C)oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGKIMVDWIXCGER-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAHOZXFGZWYAT-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCNCC2)oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUBSGBCLUPJLJ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCOCC2)oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGZEMCSAVZOGF-UHFFFAOYSA-N", "SMILES:COC(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRDJWTUIMNCGHL-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2ncnc3ccc(-c4ccccc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEOVZYBGIKUMJJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc3ncnc(Nc4ccccc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTGDJJEKSSQOW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(Nc4ccccc4)c3n2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGSUOKNDYZFEM-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccc3ncnc(Nc4ccccc4)c3n2)c1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPPXSFJSYUBDSD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(Nc4ccccc4F)c3n2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCXUSSIWJFJLDP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(Nc4cccc(F)c4)c3n2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIWLUICYUWSTEB-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccc3ncnc(Nc4ccc(F)cc4)c3n2)c1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEKORQPEWQCDF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKPVHDLPWUFMBF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(Nc4ccc(C(F)(F)F)cc4)c3n2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYLCRKYESJPQC-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYUZYZBBJGTSFR-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2n[nH]cc2N2CCCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZSVIKVOAPBNLM-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2n[nH]cc2N2CCCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKVZXHRWKQTBA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPFOKFRIDVKLE-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNNPPLRTCDVRJ-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2n[nH]cc2N2CCCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLFGIHQJKUNEJH-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRZTHXAPWDTFP-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1n[nH]cc1N1CCCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZZYGJHJAEWDD-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2n[nH]cc2N2CCCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHZKPJZRQJCSF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]cc2N2CCCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PASQZXJWBXINCO-UHFFFAOYSA-N", "SMILES:c1ccc(-c2n[nH]cc2N2CCCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHHFTZVFFWFQPP-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1n[nH]cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVXOGRBWNHUOLQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2n[nH]cc2N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGYUXUBXWIFBI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]cc2N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQQBOVFRBIOBE-UHFFFAOYSA-N", "SMILES:c1ccc(-c2n[nH]cc2N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOIXEVXDQZBSIL-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1n[nH]cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRPDKOIUHULZCY-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2n[nH]cc2N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVBFCBKZDWNNA-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2n[nH]cc2N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCJSVVCXJQEDOV-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1n[nH]cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEFRGFSOXCXXSZ-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2n[nH]cc2N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJWRYKGBTQVLKK-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2n[nH]cc2N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRCWJTXHIZFXIO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2n[nH]cc2N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGYGQPHUZEYGA-OPBTYQOJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRGYJABBWONWRL-XJRQOWSYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQUPHVFRGVWPK-OYTTWJROSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWICEDCIGPDBRX-FSGKJDCBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)C(C)C"]}
{"name": "Interleukin-17A", "xref": ["CHEMBL.TARGET:CHEMBL4879476"], "id": "UniProtKB:Q62386", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZCVDEPRVMMLJK-MRZIVYIFSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJWSQXCSHAHBJB-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc3c(n2)CCCN3c2ccnc(C(F)(F)F)n2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKAMMYSFTPLTDH-UHFFFAOYSA-N", "SMILES:Cc1nccc(N2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBMFHHWWZOPLN-OWJWWREXSA-N", "SMILES:Cc1nccc(N2CCCc3nc([C@]4(NC(=O)c5ccc(F)cc5)C[C@@H]4C)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKLGSNBWVOPFZ-WMZOPIPTSA-N", "SMILES:Cc1nccc(N2C[C@@H]3C[C@@H]3c3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLPXWIBBRNKRFP-YNJKOYDBSA-N", "SMILES:CC(C)(O)c1cnc(N2C[C@@]3(CC[C@@H](O)[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNOLHUAPQVYQAP-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMZHBHDXLFTGW-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPISDGSJQLIXIB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5cnc6[nH]ccc6c5)c4)CC3)CCC(C)(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHFTYUNAKCSHW-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccccc2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYKVRJWWZNBTQ-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(C(F)(F)F)c(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTUDMBEXZRMKE-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(C(F)(F)F)cc5)CC(C)(C)CC4)CC3)cc2Oc2cnc3[nH]ccc3c2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REKRRYZRXUDNRJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(C(F)(F)F)cc5)CC(C)(C)CC4)CC3)cc2Oc2cnc3[nH]ccc3c2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGQPRZPODEMOV-UHFFFAOYSA-N", "SMILES:CN1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(C(F)(F)F)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLRQRZVJWIGRBF-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(C(F)(F)F)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHLMZMGUSDYXJC-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJOIVVONSGANY-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCOC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQFDCLRNXXTKFY-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKVCIGUFJAUADG-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEBNKYNPXHWIRQ-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5CCOC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEYSOLNBDTZSGL-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5CCCOC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLDFSVNTSFBKGJ-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5CCSCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSXVWLDSXWNTC-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(C(F)(F)F)cc5)CC(C)(C)CC4)CC3)cc2Oc2cnc3[nH]ccc3c2)cc1[N+](=O)[O-])C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIUQLADXKRFWMD-UHFFFAOYSA-N", "SMILES:CN1CCC(COc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(C(F)(F)F)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOWXECFUKWOIX-UHFFFAOYSA-N", "SMILES:CCN1CCC(COc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(C(F)(F)F)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJZAFDYUVYHMH-SSKFGXFMSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BECCUKCZBHNIBT-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCCCc4cn(Cc5ccccc5)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPPDEVHWQBXMP-UHFFFAOYSA-N", "SMILES:C#CCCCOc1ccc(-c2cc(=O)c3ccc(F)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQRJALRDLVVDMI-UHFFFAOYSA-N", "SMILES:C#CCCCOc1ccc(-c2cc(=O)c3c(OCc4ccccc4)cc(OCOC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWAKBNWCYOZOGG-UHFFFAOYSA-N", "SMILES:C#CCCCCOc1ccc(-c2oc3ccccc3c(=O)c2OCc2cccc(C(=O)OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSEYRIFCUPMRMQ-UHFFFAOYSA-N", "SMILES:C#CCCCCOc1ccc(-c2oc3ccccc3c(=O)c2OCc2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDAGWYUOHOJLIY-UHFFFAOYSA-N", "SMILES:C#CCCCCOc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVUOTZKAXBMKP-UHFFFAOYSA-N", "SMILES:C#CCCCOc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMDBWMGCBGSNR-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCn4cc(-c5cccc(-c6cn(CCOCCOc7ccc(-c8oc9ccccc9c(=O)c8OCc8cccc(C(=O)OC)c8)cc7)nn6)c5)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZXHEFXUYIUBV-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCN=[N+]=[N-])cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDDIZUXIRDKCU-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCOCCN=[N+]=[N-])cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDDTXWKBXKJAGB-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCCCc4cn(CCOCCO)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBROVVYIPVQJI-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCn4cc(CN(C)Cc5ccccc5)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYSRQULNVDMVNE-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCn4cc(CCN5C(=O)c6ccccc6C5=O)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHOAUUFCDICXBZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCn4cc(CN(Cc5ccccc5)Cc5ccccc5)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWHNQDLISXUHEG-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCn4cc(CNc5ccccc5)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWJVGOJTNOMAQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCOCCn4cc(CN(C)Cc5ccccc5)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISSUHNSOTDYFAQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCOCCn4cc(CCN5C(=O)c6ccccc6C5=O)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWSVOVSBNDFOA-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCOCCn4cc(CCCCOc5ccc(C=O)cc5)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPZKJDGQFUXAL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(COc2c(-c3ccc(OCCOCCOCCn4cc(CN(CCO)Cc5ccccc5)nn4)cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFEKYQYTYUYGEH-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHYXNIJBAGFQO-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYWLBKNUERKYFV-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3ccc(OCCOCCOCCN=[N+]=[N-])cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGYCDJEBLBVNV-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOCCOc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKXMESBXQIQUST-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUFRNXZVEPZGIH-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMUWSMAMWXZGO-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMSLHBSGYVBCGY-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSNRKNPYMAUAZ-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIGJSJSXWHMGZ-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2c(-c3ccc(OCCOCCN=[N+]=[N-])cc3)oc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZMDFNAGUXABW-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOc1cccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHEFDAYKXXNPRU-UHFFFAOYSA-N", "SMILES:NC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSRBBZGAAAAQD-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYLVQFCHCRRZRZ-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccccc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDICFMFWRZUKD-UHFFFAOYSA-N", "SMILES:O=C1NCCc2ccccc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PASJKDJKHUMPKM-UHFFFAOYSA-N", "SMILES:O=C1NCc2ncccc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKSROPPHFCZRMW-UHFFFAOYSA-N", "SMILES:O=C1NCc2c(F)cccc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQPYRSVDYFAUIM-UHFFFAOYSA-N", "SMILES:O=C1NCc2cc(F)ccc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQQOIAWTXHSYGP-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccc(F)cc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOOBJWBQFLHIR-UHFFFAOYSA-N", "SMILES:O=C1NCc2cc(C(F)(F)F)ccc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYFWFVRYRCLNLG-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccc(C(F)(F)F)cc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDOLDPTCSYIGP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(n1)CNC(=O)C1N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C2C13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGBCVDGSVGTXIU-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(C(F)(F)F)ccc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGATXOQLMUDRI-UHFFFAOYSA-N", "SMILES:O=C1NCc2cc(C(F)(F)F)ncc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYQAWUHJXRFHIR-UHFFFAOYSA-N", "SMILES:Cn1ncc2c1CNC(=O)C1N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C2C13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRIVVIJEQLJHN-UHFFFAOYSA-N", "SMILES:O=C1NCc2sccc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOTRESBCCTWXHF-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccsc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC1C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDVIZNUALCVMH-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(C(F)(F)F)ncc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC(C1=O)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTXJETGIIMBPKL-UHFFFAOYSA-N", "SMILES:CCN1Cc2cc(C(F)(F)F)ncc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC(C1=O)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNVSAXDUUSCZQU-UHFFFAOYSA-N", "SMILES:CC(C)N1Cc2cc(C(F)(F)F)ncc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC(C1=O)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYQKMUBMZFMRY-UHFFFAOYSA-N", "SMILES:O=C1C2N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C(c4cnc(C(F)(F)F)cc4CN1C1CC1)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFMXXKQHVWPAGY-UHFFFAOYSA-N", "SMILES:O=C1C2N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C(c4cnc(C(F)(F)F)cc4CN1C1CCC1)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJYPZHCSHQJME-UHFFFAOYSA-N", "SMILES:O=C1C2N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C(c4cnc(C(F)(F)F)cc4CN1CC(F)F)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSLZNVEFBHYOJ-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1Cc2cc(C(F)(F)F)ncc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC(C1=O)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSHXJQZGFPNTHF-UHFFFAOYSA-N", "SMILES:O=C1C2N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C(c4cnc(C(F)(F)F)cc4CN1CC(F)(F)F)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCGCBLFZUYFEO-UHFFFAOYSA-N", "SMILES:O=C1C2N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C(c4cnc(C(F)(F)F)cc4CN1C1CC(F)(F)C1)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZINHLZCYGOUOS-UHFFFAOYSA-N", "SMILES:CC(C)(O)CN1Cc2cc(C(F)(F)F)ncc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC(C1=O)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGNWXTBAJBCGNX-UHFFFAOYSA-N", "SMILES:O=C1C2N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C(c4cnc(C(F)(F)F)cc4CN1C1CCOCC1)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEEKWVPLLAPTSI-UHFFFAOYSA-N", "SMILES:CC1CC(N2Cc3cc(C(F)(F)F)ncc3C3=CN=C(NCc4c(F)ccc5c4CCO5)N4C=NC(C2=O)C34)CC(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBKJQMFRXONEW-UHFFFAOYSA-N", "SMILES:O=C1C2N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C(c4cnc(C(F)(F)F)cc4CN1CC1(O)CC1)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUUOPTHUDTVILX-UHFFFAOYSA-N", "SMILES:CC1(O)CC(CN2Cc3cc(C(F)(F)F)ncc3C3=CN=C(NCc4c(F)ccc5c4CCO5)N4C=NC(C2=O)C34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUSPVSQZGAVFJC-UHFFFAOYSA-N", "SMILES:O=C1C2N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C(c4cnc(C(F)(F)F)cc4CN1CC1CCOCC1)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQPPNWPWADDHS-UHFFFAOYSA-N", "SMILES:CN1CCC(CN2Cc3cc(C(F)(F)F)ncc3C3=CN=C(NCc4c(F)ccc5c4CCO5)N4C=NC(C2=O)C34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRLICIJPQNBCBZ-UHFFFAOYSA-N", "SMILES:O=C1C2N=CN3C(NCc4c(F)ccc5c4CCO5)=NC=C(c4cnc(C(F)(F)F)cc4CN1CC1COCCO1)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8946", "category": ["biolink:ChemicalEntity"], "name": "ETICLOPRIDE", "xref": ["InChIKey:AADCDMQTJNYOSS-LBPRGKRZSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O"], "synonym": ["Eticlopride", "Eticloprida"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4861573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKQBBPHPBPWCJ-PPHPATTJSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2)c1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJKCMXOYXRJELY-ZDUSSCGKSA-N", "SMILES:CCCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUYHUMKSDMTUIW-KRWDZBQOSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZNVCRYUPLFRHD-DEOSSOPVSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLKCMNJCFXMPO-IBGZPJMESA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CCCc2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFCQLWBBLEXDK-SFHVURJKSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CCc2c(C)nc3n(c2=O)CCCC3)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWTBKWKKPKFNJR-FQEVSTJZSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CCCCOc2ccc3c(c2)NC(=O)CC3)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQXNRLRUBRWERN-FQEVSTJZSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CCCCNC(=O)c2cc3ccccc3o2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQKBIDCSTXPMN-FQEVSTJZSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CCCCNC(=O)c2cc3ccccc3[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHFVSZFUSRSUBZ-UHFFFAOYSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NCC2CCN(C)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKXSQHTWNMDLJM-UHFFFAOYSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NCC2CCN(CC)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMQWDIMZMNVJB-UHFFFAOYSA-N", "SMILES:CCCN1CCC(CNC(=O)c2c(O)c(CC)cc(Cl)c2OC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUBXYMWRLKXKL-UHFFFAOYSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN(CCCCNC(=O)c3cc4ccccc4[nH]3)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJSXNXLTDYAKZ-UHFFFAOYSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN(CCCCNC(=O)c3cc4ccccc4o3)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLDYDMUQJQRGFN-PZJWPPBQSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@@H](OCCCCOc3ccc4c(c3)NC(=O)CC4)CN2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPDOZCUUSRJDC-LADGPHEKSA-N", "SMILES:CCCN1C[C@H](OCCCCOc2ccc3c(c2)NC(=O)CC3)C[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSBXLBFVPKGAF-VQTJNVASSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@@H](OCCCCNC(=O)c3cc4ccccc4[nH]3)CN2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIFCKHUAPMXUCB-VQTJNVASSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@@H](OCCCCNC(=O)c3cc4ccccc4o3)CN2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYCAHEZFDKQEQL-FCHUYYIVSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@@H](OCCCCNC(=O)c3cc4ccccc4[nH]3)CN2CC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQTYRYMOSHBTB-FCHUYYIVSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@@H](OCCCCNC(=O)c3cc4ccccc4o3)CN2CC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVHLIGWQYXIBW-RBUKOAKNSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@@H](OCCCc3ccccc3)CN2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRHWCJYTVWDZJO-LEWJYISDSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@@H](OCCCCOCc3ccccc3)CN2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZBVRPQPBYWDJ-UONOGXRCSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@@H](OCCCCO)CN2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNAWYZSFUYYRV-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMIQQXOWMVRGNW-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKOZNUPDJEQLC-UHFFFAOYSA-N", "SMILES:Fc1cc2c(-c3ccc4ccccc4n3)c[nH]c2c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMDJOMJCDYGGL-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc2c(-c3ccc4ccccc4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWHMPMDXLYPEMY-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGSHVBXCQATOU-UHFFFAOYSA-N", "SMILES:Cc1c(F)ccc2c(-c3ccc4ccccc4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHZNMBQUOZYOU-UHFFFAOYSA-N", "SMILES:Fc1cc(Cl)cc2c(-c3ccc4ccccc4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQUVEANPXKKDV-UHFFFAOYSA-N", "SMILES:Fc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTMJETYFCPQFG-UHFFFAOYSA-N", "SMILES:Clc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIIQODUUIYSKKA-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDZQWLYYDUZBO-UHFFFAOYSA-N", "SMILES:Fc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKBNOVQNMJTEJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIKLFMXGHFEGQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2[nH]cc(-c3ccc4ccccc4n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFPVKGEEQFFGI-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSOHGDSETRFFKP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFGJJUABJUEHNM-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(-c3ccc4c(C(F)(F)F)cccc4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTVVZXZXDWXNF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc2nc(-c3c[nH]c4c(C)cccc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MARRKWDTWIDGIW-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(-c3ccc4ccc(F)cc4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VITKZOZXEKCBMJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(-c3ccc4ccc(Cl)cc4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGFOAWFZHREEW-UHFFFAOYSA-N", "SMILES:Cc1cccc2ccc(-c3c[nH]c4c(C)cccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYMUQYOWTXYLML-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(-c3ccc4cccc(F)c4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWYZSDOJGXLBJA-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCAIYVGVBPPKK-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(-c3ccc4cccc(Br)c4n3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUYBVTGNIFEQKZ-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)F)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNDHIGUWSXZCOO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVMORAZGXOGGJ-UHFFFAOYSA-N", "SMILES:Fc1cc2c(-c3ccc4c(-c5cncs5)cccc4n3)c[nH]c2c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAWGMTHYGMERCM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFCWMNDEDGGPM-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDBZHLRXRQETN-UHFFFAOYSA-N", "SMILES:Fc1cc2c(-c3ccc4c(-c5nccs5)cccc4n3)c[nH]c2c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBJZSAUGVSIOK-UHFFFAOYSA-N", "SMILES:Fc1cc2c(-c3ccc4c(C(F)(F)F)cccc4n3)c[nH]c2c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIUYKMGEKSNCLH-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTFLBOBTWCSAB-UHFFFAOYSA-N", "SMILES:OC(c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADNWDUZANEWSZ-UHFFFAOYSA-L", "SMILES:CC(C)NC(=O)c1cccc2nc(-c3cn(COP(=O)([O-])[O-])c4c(F)c(F)c(F)cc34)ccc12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMQSMQCFYBLLU-SFHVURJKSA-N", "SMILES:Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)C=O)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPARMNRYVUWAPD-CFGKVWFZSA-N", "SMILES:COC(=O)/C=C/C(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHJHRAVHQGPLS-FDDCHVKYSA-N", "SMILES:Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)[C@H]3CO3)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICDYJJCLZFIGH-SIYOEGHHSA-N", "SMILES:Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)C3OC3C)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFIYRNYNWQYKSR-DTHMXLAUSA-N", "SMILES:CCOC(=O)[C@@H]1O[C@H]1C(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJAFWZHRWAPFKD-WMVJKMFWSA-N", "SMILES:Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)[C@@H]3O[C@H]3CN3CCCCC3)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPNPGIBFJWOTFY-IKKGAQDJSA-N", "SMILES:Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)[C@@H]3O[C@H]3CO)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGTFCYYAVZGGFG-UHFFFAOYSA-N", "SMILES:Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CC(NC(=O)C3CO3)C2)c2cc(Cl)c(-c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGAWGYKFZKABRO-UHFFFAOYSA-N", "SMILES:Cc1ccnc(C(C)C)c1-n1c(=O)nc(N(C)C2CN(C(=O)C3CO3)C2)c2cc(Cl)c(-c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRLGXAKWOBIAW-YZZKKUAISA-N", "SMILES:Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)[C@H]3CO3)C[C@@H]2C)c2cc(Cl)c(-c3c(O)cccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBLPZTHALLWALD-YZZKKUAISA-N", "SMILES:Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)[C@H]3CO3)C[C@@H]2C)c2cc(Cl)c(-c3c(N)cccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKHRJGAYBKACP-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cccc(-n2cc(F)c3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECZPVPRJJYJME-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2ccc(Nc3ncc4ccn(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUGVYIBZUCCAS-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cccc(-n2cc(F)c3cnc(Nc4ccc(N5CCNC6(CC6)C5)cc4)nc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMAVWDJUBQEBDQ-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cccc(-n2cc(F)c3cnc(Nc4ccc(NC(=O)C5CCOCC5)cc4)nc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDUWYOZDVRKSHB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(F)cn(-c5cccc(N=S(C)(C)=O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMIWWLZKGDETAG-SJLPKXTDSA-N", "SMILES:CC(C)(O)c1cccc(-n2cc(F)c3cnc(Nc4ccc(N5C[C@H]6C[C@@H]5CN6)cc4)nc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMIWWLZKGDETAG-WMZOPIPTSA-N", "SMILES:CC(C)(O)c1cccc(-n2cc(F)c3cnc(Nc4ccc(N5C[C@@H]6C[C@H]5CN6)cc4)nc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKEGAIRYQRMJBD-UHFFFAOYSA-N", "SMILES:CCN1CCC(Oc2ccc(Nc3ncc4c(F)cn(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSOGYNPOXPTXNN-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cccc(-n2cc(F)c3cnc(Nc4ccc(C(=O)NC5CCOCC5)cc4)nc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHZUHNWBNIKEGE-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2ccc(Nc3ncc4c(F)cn(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXQFQJQZJHRTKK-UHFFFAOYSA-N", "SMILES:CCN1CCC(NC(=O)c2ccc(Nc3ncc4c(F)cn(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPFNMWBTFTQGS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(F)cn(-c5cccc(C6(F)COC6)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWLCVWZKFPMRI-RYCUGWILSA-N", "SMILES:[2H]C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])c1c[nH]c2cccc(OC(=O)CCCCCCCC/C=C\\C/C=C\\CCCCC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877198", "category": ["biolink:ChemicalEntity"], "name": "DEUPSILOCIN", "xref": ["InChIKey:SPCIYGNTAMCTRO-HXOHQZFQSA-N", "SMILES:[2H]C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])c1c[nH]c2cccc(O)c12"], "synonym": ["Deupsilocin", "Deupsilocine", "Deupsilocina", "Psilocin-d10"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHERKDDDEMCCCU-OIRTUCIKSA-N", "SMILES:[2H]C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])c1c[nH]c2cccc(OCc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGLCJNMORKETCN-UHFFFAOYSA-N", "SMILES:O=C(OC1CC1)N1CCCc2nc(C3(c4nc5ncc(Cl)cc5[nH]4)CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AITBYHRPTRLZIG-UHFFFAOYSA-N", "SMILES:O=C(OC1CC1)N1CCCc2nc(C3(c4nc5ccc(Cl)cc5[nH]4)CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUVGVGCMKPKJP-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cl)N1CCCc2nc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDPNLLDCFIMUKA-UHFFFAOYSA-N", "SMILES:O=C(OC1CC1)N1CCCc2nc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPXNEHRXPOJNQ-UHFFFAOYSA-N", "SMILES:CC(c1ccc2c(n1)CCCN2C(=O)OC1CC1)c1nc2ccc(Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPXNEHRXPOJNQ-LBPRGKRZSA-N", "SMILES:C[C@@H](c1ccc2c(n1)CCCN2C(=O)OC1CC1)c1nc2ccc(Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLNUDIJFMSVJZ-DVRVPOOOSA-N", "SMILES:CNC(=O)N1N=C(c2ccc(N3CCN(C(=O)COCCOCCOCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)c2cc(OC)c(OC)cc2C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWODUXCOTUXJT-HKIGIVDHSA-N", "SMILES:CNC(=O)N1N=C(c2ccc(N3CCN(C(=O)COCCOCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)c2cc(OC)c(OC)cc2C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQPRRCLCHOSXND-RNWYOQHESA-N", "SMILES:CNC(=O)N1N=C(c2ccc(N3CCN(C(=O)CCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)c2cc(OC)c(OC)cc2C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBINRGPAVAQPT-FIMWSPJOSA-N", "SMILES:CNC(=O)N1N=C(c2ccc(N3CCN(C(=O)COCCOCCOCCOCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)c2cc(OC)c(OC)cc2C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVABVTPEHGVCTD-XYXHBKGXSA-N", "SMILES:CNC(=O)N1N=C(c2ccc(C(=O)NCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)c2cc(OC)c(OC)cc2C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAHFEKCOSIQMB-VFIQEOMOSA-N", "SMILES:CNC(=O)N1N=C(c2ccc(N3CCN(C(=O)CCOCCOCCOCCNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)c2cc(OC)c(OC)cc2C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBVOQXPDWSDET-XVZWFMNBSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@H]2CC[C@@H](c3ncc(-c4ccc(-c5ccc(-c6cnc([C@@H]7CCCN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]6)cc5)cc4)[nH]3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBVOQXPDWSDET-ICMYOBTQSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC[C@@H]6CCC[C@@H](NC(=O)OC)C(=O)N65)[nH]4)cc3)cc2)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBVOQXPDWSDET-GPOWSJRHSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC[C@H]6CCC[C@@H](NC(=O)OC)C(=O)N65)[nH]4)cc3)cc2)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBVOQXPDWSDET-WNOZARMSSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]2CC[C@@H](c3ncc(-c4ccc(-c5ccc(-c6cnc([C@@H]7CCCN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]6)cc5)cc4)[nH]3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYADIRWBEZFPNH-QHXJBBBQSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@H]2CC[C@@H](c3ncc(-c4ccc(-c5ccc(-c6cnc([C@@H]7CC8(CN7C(=O)[C@@H](NC(=O)OC)C(C)C)OCCO8)[nH]6)cc5)cc4)[nH]3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYADIRWBEZFPNH-SXGOMXFTSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC[C@@H]7CCC[C@@H](NC(=O)OC)C(=O)N76)[nH]5)cc4)cc3)[nH]1)OCCO2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYADIRWBEZFPNH-ULFTUPBMSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC[C@H]7CCC[C@@H](NC(=O)OC)C(=O)N76)[nH]5)cc4)cc3)[nH]1)OCCO2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYADIRWBEZFPNH-DSNYFJJNSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]2CC[C@@H](c3ncc(-c4ccc(-c5ccc(-c6cnc([C@@H]7CC8(CN7C(=O)[C@@H](NC(=O)OC)C(C)C)OCCO8)[nH]6)cc5)cc4)[nH]3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQIKOGMHYKXFS-WMUVQLMLSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC[C@@H]7CCC[C@H](N(C)C)C(=O)N76)[nH]5)cc4)cc3)[nH]1)OCCO2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQIKOGMHYKXFS-BYXMDVHJSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC[C@@H]7CCC[C@@H](N(C)C)C(=O)N76)[nH]5)cc4)cc3)[nH]1)OCCO2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQIKOGMHYKXFS-LSSPBLELSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC[C@H]7CCC[C@@H](N(C)C)C(=O)N76)[nH]5)cc4)cc3)[nH]1)OCCO2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQIKOGMHYKXFS-IYIZQNKPSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC[C@H]7CCC[C@H](N(C)C)C(=O)N76)[nH]5)cc4)cc3)[nH]1)OCCO2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRGFUXFRPGBNW-QKDODKLFSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHFXUQYZVLNNH-SDHOMARFSA-N", "SMILES:COC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVPVENZQLBBSA-FMQUCBEESA-N", "SMILES:CN(/N=N/c1ccc(Br)cc1)C(=O)NCCSc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXDGCNWFPFDNR-FMQUCBEESA-N", "SMILES:Cc1ccc(/N=N/N(C)C(=O)NCCSc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTSJXBXMUIRADL-QZQOTICOSA-N", "SMILES:CN(/N=N/c1ccc(C#N)cc1)C(=O)NCCSc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIHUWXHZIFRLB-QURGRASLSA-N", "SMILES:CCOC(=O)c1ccc(/N=N/N(C)C(=O)NCCSc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPSNPJXNWWBVAT-QZQOTICOSA-N", "SMILES:CC(=O)c1ccc(/N=N/N(C)C(=O)NCCSc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQPXZIZPDCMDL-VHEBQXMUSA-N", "SMILES:CN(/N=N/c1ccc(Br)cc1)C(=O)CCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQXZEYSAOVDZDN-VHEBQXMUSA-N", "SMILES:Cc1ccc(/N=N/N(C)C(=O)CCc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISZRWOBBNIOIMU-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3cnc4[nH]ccc4c3N3CCC4(CCNC4=O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJSAFSDGFNKAC-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3cnc4[nH]nc(Cl)c4c3N3CCC4(CCNC4=O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJXPDLMACOGIZ-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMJXOWHNPWZBG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(F)c(Cn2nnnc2-c2cccs2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMHARNDBRDSPAO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2nnc(-c3ncccn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYSQYMXQKXZPG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLHBDBXFHISPRC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NO)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXQRENAZWUHPR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFMSICJJTYCBRL-UHFFFAOYSA-N", "SMILES:Cc1c(F)cc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL155579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKGYBSPSUUVQRL-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGKSUIGZGSWGG-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NO)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEXRLJIEPZXNQN-UHFFFAOYSA-N", "SMILES:Nc1ncc(C(=O)NO)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUWBPPLBLLDBW-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRXWGCHBIDOVEN-UHFFFAOYSA-N", "SMILES:Nc1c(F)cc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBTXLOZXLJRPEK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKFHZGJKOYXTD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMVJLNPNMRXUCQ-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc2cc(COC(=O)Nc3c(F)cc(C(=O)NO)cc3F)ccc2c1"]}
{"name": "POU domain, class 2, transcription factor 1", "xref": ["CHEMBL.TARGET:CHEMBL3509601"], "id": "UniProtKB:P14859", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQDSLGFSUGBBE-UHFFFAOYSA-N", "SMILES:CC[N+](CC)(CC)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738972", "category": ["biolink:ChemicalEntity"], "name": "DENATONIUM", "xref": ["InChIKey:ZFQMTVNLDNXRNQ-UHFFFAOYSA-O", "SMILES:CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1"], "synonym": ["Denatonium"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1104", "category": ["biolink:ChemicalEntity"], "name": "EDROPHONIUM", "xref": ["InChIKey:VWLHWLSRQJQWRG-UHFFFAOYSA-O", "SMILES:CC[N+](C)(C)c1cccc(O)c1"], "synonym": ["Edrophonium", "Edrophonium", "Edrophonium cation", "Edrophonium ion", "Enlon-plus"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1884833", "category": ["biolink:ChemicalEntity"], "name": "FENPIVERINIUM", "xref": ["InChIKey:QDIYJDPBMZUZEH-UHFFFAOYSA-O", "SMILES:C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCCC1"], "synonym": ["Fenpiverinium", "Fenpiverinium cation", "Fenpiverinium ion"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1279", "category": ["biolink:ChemicalEntity"], "name": "FROVATRIPTAN", "xref": ["InChIKey:XPSQPHWEGNHMSK-SECBINFHSA-N", "SMILES:CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1"], "synonym": ["Frovatriptan", "Frovatriptan", "Frovatriptan", "Frovatriptan", "Allergo filmtabletten", "Frovatriptan", "Migard", "Mylatrip"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL862", "category": ["biolink:ChemicalEntity"], "name": "GUANFACINE", "xref": ["InChIKey:INJOMKTZOLKMBF-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)Cc1c(Cl)cccc1Cl"], "synonym": ["Guanfacine", "Guanfacine", "Guanfacine", "Guanfacine", "Guanfacina", "Guanfacine", "Guanfacine", "NSC-759121", "Intuniv"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3140030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCOQTDXKCNBEE-RGGMIXCSSA-N", "SMILES:C[N+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4879040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQWRGWIWVWFVFW-UHFFFAOYSA-N", "SMILES:CCC(CC)(CC)NCC(=O)Nc1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358040", "category": ["biolink:ChemicalEntity"], "name": "NORFENEFRINE", "xref": ["InChIKey:LRCXRAABFLIVAI-UHFFFAOYSA-N", "SMILES:NCC(O)c1cccc(O)c1"], "synonym": ["Norfenefrine", "Norfenefrine", "Norfenefrina", "Norphenylephrine", "WV-569 FREE BASE", "WV569 FREE BASE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215", "category": ["biolink:ChemicalEntity"], "name": "PHENYLEPHRINE", "xref": ["InChIKey:SONNWYBIRXJNDC-VIFPVBQESA-N", "SMILES:CNC[C@H](O)c1cccc(O)c1"], "synonym": ["Phenylephrine", "Phenylephrine", "Fenilefrina", "Phenylephrine", "(-)-phenylephrine", "(r)-phenylephrine", "Cyclomydril", "Duo-medihaler", "M-oxedrine", "M-sympathol", "M-sympatol", "M-synephrine", "Meta-synephrine", "Metasynephrine", "Phenylephrine", "Phenylephrine minims", "Phenylephrine, (r)-", "R(-)-mezaton", "AB-101 (PHENYLEPHRINE)", "J8.601K"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL1160714", "category": ["biolink:ChemicalEntity"], "name": "PRENALTEROL", "xref": ["InChIKey:ADUKCCWBEDSMEB-NSHDSACASA-N", "SMILES:CC(C)NC[C@H](O)COc1ccc(O)cc1"], "synonym": ["Prenalterol", "Prenalterol", "Prenalterol", "Phenol metabolite"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509336", "category": ["biolink:ChemicalEntity"], "name": "RACTOPAMINE", "xref": ["InChIKey:YJQZYXCXBBCEAQ-UHFFFAOYSA-N", "SMILES:CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1"], "synonym": ["Ractopamine", "Ractopamina"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL83063", "category": ["biolink:ChemicalEntity"], "name": "RITODRINE", "xref": ["InChIKey:IOVGROKTTNBUGK-UHFFFAOYSA-N", "SMILES:CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1"], "synonym": ["Ritodrine", "Ritodrine", "Ritodrine", "Ritodrina", "Ritodrine", "Ritodrine", "DU-21220", "Ritodrine"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL95804", "category": ["biolink:ChemicalEntity"], "name": "SEMATILIDE", "xref": ["InChIKey:KHYPYQZQJSBPIX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1"], "synonym": ["Sematilide", "Sematilida"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMUSMYYDKCXFKR-MRJIRHQNSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBQQUMUUNWFAH-GKIUGWBJSA-N", "SMILES:CC[C@@H]1[C@@H](C)O[C@@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)C(O)/C=C/[C@H](CC)[C@@H](C)O)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1"]}
{"name": "Calcineurin subunit B type 1", "xref": ["CHEMBL.TARGET:CHEMBL2082"], "id": "UniProtKB:P63098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSAREFJMAAXDHV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2ncc3c2CCCC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPUYATOWSQLHRR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2ncc3c2CC(c2ccccc2)CC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKGRKWJHXMFDQ-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cnn(-c3ccc(S(N)(=O)=O)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPNNPIRKRNAEGF-UHFFFAOYSA-N", "SMILES:O=C1CCCc2c1cnn2-c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIFNBIDTLWAEC-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2ccc(-n3ncc4c3CCCC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNIRWICCNVEOGN-UHFFFAOYSA-N", "SMILES:O=C1CCCc2c1cnn2-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTBNOGKZOZCZBN-UHFFFAOYSA-N", "SMILES:O=C1CCCc2c1cnn2-c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHFPPMNULPSPPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc4c3CCCC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWFRQVUMZSOHBU-UHFFFAOYSA-N", "SMILES:COc1cccc(NS(=O)(=O)c2ccc(-n3ncc4c3CCCC4=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJJNFWVNGQQDTL-UHFFFAOYSA-N", "SMILES:O=C1CCCc2c1cnn2-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSVTKUPURTAKI-UHFFFAOYSA-N", "SMILES:O=C1CCCc2c1cnn2-c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIDBQQWZIIBHR-UHFFFAOYSA-N", "SMILES:Cc1cccc(NS(=O)(=O)c2ccc(-n3ncc4c3CCCC4=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCKHMRUXGSMGB-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Cc2c1cnn2-c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENUNUSPYZWTSF-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2ccc(-n3ncc4c3CC(c3ccccc3)CC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIOLNEFDVVHGCD-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Cc2c1cnn2-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGLFJMXEWAFQD-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Cc2c1cnn2-c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOACEUUFAWSQT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc4c3CC(c3ccccc3)CC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBPKYNEBVKBBO-UHFFFAOYSA-N", "SMILES:COc1cccc(NS(=O)(=O)c2ccc(-n3ncc4c3CC(c3ccccc3)CC4=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNQCWLNJDGHAB-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Cc2c1cnn2-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXYVCWSLLHGPOI-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Cc2c1cnn2-c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPOOLCARYVSGMV-UHFFFAOYSA-N", "SMILES:Cc1cccc(NS(=O)(=O)c2ccc(-n3ncc4c3CC(c3ccccc3)CC4=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRMMKYXYBZXISR-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cnn(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAKSDGMHXUTUTP-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2ccc(-n3ncc4c3CC(C)(C)CC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVFQCGLSPFKYJH-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABVMANFGAWVUCG-UHFFFAOYSA-N", "SMILES:COc1cccc(NS(=O)(=O)c2ccc(-n3ncc4c3CC(C)(C)CC4=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDCUKOHIELLPCZ-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cnn(-c3ccc(S(=O)(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBENNVYLBBNWFR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc4c3CC(C)(C)CC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJOXDBNECAIAO-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cnn(-c3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPIMBCRMVMBEE-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2cnn(-c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCASVXKHFZXGIE-UHFFFAOYSA-N", "SMILES:Cc1cccc(NS(=O)(=O)c2ccc(-n3ncc4c3CC(C)(C)CC4=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGSTKSRZXKDAH-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(CNCCO)cc2)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHFACCZSMFASK-ZKRNXSKHSA-N", "SMILES:Nc1nc(CCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVREWJJEXYQLA-GZBFAFLISA-N", "SMILES:Nc1ncnc2c1nc(CCc1ccccc1)n2[C@H]1C[C@H](O)[C@@H](CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUCYBLQSKFXVIP-GRXQJBFDSA-N", "SMILES:CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPOOYABRFHDAQ-GZBFAFLISA-N", "SMILES:Nc1ncnc2c1nc(C#Cc1ccccc1)n2[C@H]1C[C@H](O)[C@@H](CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQVVNSRYWTXJV-WVSUBDOOSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCWTCGMLFOWCC-RQXXJAGISA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJPTCVDEDYCCU-NVQRDWNXSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIDPGZUWMCAOPV-ARFHVFGLSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)nc(Cl)nc32)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3350497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYEXHNHGCDESIU-XKLVTHTNSA-N", "SMILES:Nc1ncnc2c1nc(C#Cc1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBRRRMDHTZACMR-NVQRDWNXSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARJSNBJYYNDDG-XKLVTHTNSA-N", "SMILES:Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHFACCZSMFASK-XKLVTHTNSA-N", "SMILES:Nc1nc(CCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARJSNBJYYNDDG-ZKRNXSKHSA-N", "SMILES:Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZXIMBZQYMYQDK-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NCCCCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYNLDMNBXNZMS-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NCCCCCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPGNZORIBJMGJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)ccc1C(=O)NCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJJRONMZWKQIE-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NCCCCCC(=O)NO)c(Cl)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYTPMVQVLBMBMI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCCCCCC(=O)NO)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRCACMPURQQGH-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCCCCCC(=O)NO)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGRWYPSGHHZPG-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(C(=O)NCCCCCCC(=O)NO)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOHLOPWYMXTMNY-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CCCCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLASCOWIMXGMI-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXPIJCIBBBYTK-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CCCCCC(=O)NO)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOPOMWBKDQGDSK-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEWYUMKLJGLSCT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSJRHZMDLORVMO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWFGDBDBQOADV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3ccccc3Cl)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCPIKMMCHRNSG-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3ccccc3Br)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHFIEDWAEODJPA-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHLICAKEFJNUDP-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ncc2Cl)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLCNZLLJWMLRSZ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKJMSWOHCZDPI-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUNHYRQESJFNO-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc1Nc1ccccc1S(=O)(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTHFCKUQICYMG-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc1Nc1ccccc1S(=O)(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAAOWZWHMSWBIW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)ccc1C(=O)NCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFOGYSKCPDVLI-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NCCCCCCC(=O)NO)c(Cl)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGANLIGFABKLY-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)ccc1C(=O)NCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZZDPIPNGCOTN-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(C(=O)NCCCC(=O)NO)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGQZLJKJRXQQI-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(C(=O)NCCCCC(=O)NO)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPPFVAHKDRKKLP-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(C(=O)NCCCCCC(=O)NO)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHCVDJZABEIHM-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cccc1C(=O)NCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXIOULZGLYPHK-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CCCC(=O)NO)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNBMYUKWWWGSD-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CCCCC(=O)NO)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTKJXMMNWJRHB-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIMSIYHORNNHHJ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPHEQRLCCONHP-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NCCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMFSKKGMRESNZ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NCCCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISZOHLORTSECTI-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(C(=O)NCCC(=O)NO)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWXKNGOGPFCHC-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVMSLHULZPVHI-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRFQCPUJAWUHV-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CCCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQFNPDWBNMWZNH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1NC(=O)CCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFBPAJHSLZYIEL-FMIVXFBMSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(/C=C/C(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJUWGZDZKXLAJ-UHFFFAOYSA-N", "SMILES:COc1ccc(O)cc1NC(=O)c1c(N)cccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXZKIXQSLYEDMA-KBMKNGFXSA-N", "SMILES:[2H]C([2H])(NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)ncn1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYFRREJCFXFNRR-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPCROEHBPNOXTA-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1cc(C(=O)NCc2ccc(-c3nnn[nH]3)cc2)ncn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICWHYNSYYFXSE-CQSZACIVSA-N", "SMILES:NC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICWHYNSYYFXSE-AWEZNQCLSA-N", "SMILES:NC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEFNOWOBDAGKLX-UHFFFAOYSA-N", "SMILES:Cl.NCCNC(=O)c1ccc(-c2ccc(Cl)c(F)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYOHELABQVCEL-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1ccc(-c2ccc(Cl)c(F)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADRGJIRRALHRV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)c2ccc(-c3ccc(Cl)c(F)c3)[nH]2)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYGCDMVZYYLCCB-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2nc(CO)cs2)CCNCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHZPZKIAMIABKQ-HXUWFJFHSA-N", "SMILES:O=C(N[C@H](CC1CCNCC1)c1nc(CO)cs1)c1ccc(-c2ccc(C(F)(F)F)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHZPZKIAMIABKQ-FQEVSTJZSA-N", "SMILES:O=C(N[C@@H](CC1CCNCC1)c1nc(CO)cs1)c1ccc(-c2ccc(C(F)(F)F)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCAHCXMCMAIQLR-CYBMUJFWSA-N", "SMILES:NC[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ncc(CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCAHCXMCMAIQLR-ZDUSSCGKSA-N", "SMILES:NC[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ncc(CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILBXEUAJZPBIW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(F)(F)F)cn2)[nH]c1C(=O)NC(CN)c1ncc(CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLJVTJDPRBIFFV-UHFFFAOYSA-N", "SMILES:Oc1cc(Nc2ccnc3cc(-c4ccccc4)ccc23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNKMNBXGVDBVPN-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc3c(Nc4ccc5scnc5c4)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXYMEJCUGLLTC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(C=O)cc(-c2ccc3c(Nc4ccc5scnc5c4)ccnc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFJBJVHLGHJPFW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(CNc2ccc3scnc3c2)cc(-c2ccc3c(Nc4ccc5scnc5c4)ccnc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVMPAKIGNCWIA-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cc(CNc2ccc(Cl)c(O)c2)cc(-c2ccc3c(Nc4ccc(Cl)c(O)c4)ccnc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UONZEZXQLLKGJI-CQSZACIVSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)C(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POTIWNVGPYXWCO-MRVPVSSYSA-N", "SMILES:COc1cc(NC(=O)[C@@H](C)N)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNGSJASTBVJBE-LLVKDONJSA-N", "SMILES:CC[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSLQADYAPCRMLN-GFCCVEGCSA-N", "SMILES:CCC[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSLQADYAPCRMLN-LBPRGKRZSA-N", "SMILES:CCC[C@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCBLHBEUZSYCC-CYBMUJFWSA-N", "SMILES:CCCC[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCBLHBEUZSYCC-ZDUSSCGKSA-N", "SMILES:CCCC[C@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBKIZNXEIOPCLM-MEBBXXQBSA-N", "SMILES:CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVFDHNKYMMITG-CYBMUJFWSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVFDHNKYMMITG-ZDUSSCGKSA-N", "SMILES:COc1cc(NC(=O)[C@@H](N)CC(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UATFFGHTXGRAOH-CQSZACIVSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CCC(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQYBLYKPIZTEPT-CYBMUJFWSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQQQLBBJJHYDD-CQSZACIVSA-N", "SMILES:CN[C@H](CC(C)C)C(=O)Nc1ccc(-c2cnco2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGRVRMUJBLUQR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)C(CN)CC(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMSCEHWQLLWQQ-CYBMUJFWSA-N", "SMILES:COc1cc(NC(=O)C[C@@H](N)C(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPOANSEVGYKCU-CYBMUJFWSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC2CC2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKSLMJKWQJSNL-CQSZACIVSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC2CCC2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDXZPRFQWCTGX-MRXNPFEDSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)C2CCCC2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMSWTTBYAYHETJ-QGZVFWFLSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)C2CCCCC2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJABHKKPSVXVCG-MRXNPFEDSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC2CCCCC2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRLZSASTHOUBA-QGZVFWFLSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)c2ccccc2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFIQSAZEFXRZGS-MRXNPFEDSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNGEAPHSOSOKI-SNVBAGLBSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CO)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGJTPYYJIWEBX-ISVAXAHUSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)[C@H](C)O)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXGQJPFVPAFTQK-CQSZACIVSA-N", "SMILES:COc1cc(N(C)C(=O)[C@H](N)CC(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSLWLKNJZZJPPK-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CCC(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKKJTEJCVAQOPU-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CC2CCCC2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMPOTYRHZJMAJ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cc2ccccc2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWVURHYRLHNMRM-CYBMUJFWSA-N", "SMILES:COc1cc(NC(=O)[C@H]2CCCCN2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIIKHSCLQXVMOG-RDTXWAMCSA-N", "SMILES:COc1cc(NC(=O)[C@@H]2NCCC[C@@H]2C(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIIKHSCLQXVMOG-KSSFIOAISA-N", "SMILES:COc1cc(NC(=O)[C@H]2NCCC[C@H]2C(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQJOTHMTVTVJDE-CQSZACIVSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAPRUYSIOIDNJ-GFCCVEGCSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cn[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKZMGSCGXFVRKH-OAHLLOKOSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMYDZAHVHHVJY-CYBMUJFWSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZBLCHGGAWZABL-CYBMUJFWSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQPSDAPFQAPWLE-GFCCVEGCSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-n1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMAAWLGYWQNKGD-MRXNPFEDSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITWWXCHWJMZGO-OAHLLOKOSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJEYVLCKEYFJHX-CQSZACIVSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWKLUIIPSCWNL-OAHLLOKOSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GARNEAJMRUBVNY-OAHLLOKOSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWRJARJAVOZFJ-MRXNPFEDSA-N", "SMILES:CNc1cc(-c2ccc(NC(=O)[C@H](N)CC(C)C)cc2OC)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGDHWIZCUKKOHW-MRXNPFEDSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANQAXPUCEZTCJK-OAHLLOKOSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKKFZJFLLVSJH-CYBMUJFWSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTLGWDKAIGOEH-CQSZACIVSA-N", "SMILES:Cc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRVUQAZWFBVHFX-OAHLLOKOSA-N", "SMILES:CCc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRHKLKGZHRCQJY-CQSZACIVSA-N", "SMILES:CCOc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCTFTMWXZFLTRR-GFCCVEGCSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXLCFDFUQFLNI-GFCCVEGCSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYPPBHGJFFZLB-CYBMUJFWSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXXHUIQXSEEIT-CQSZACIVSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPSYFRTEGRAKE-MRXNPFEDSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGEDGWROTGYFDG-UHFFFAOYSA-N", "SMILES:CC(C)C1CCCNC1C(=O)Nc1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOYSJIWTIHOGW-UHFFFAOYSA-N", "SMILES:COc1ncccc1-c1cnn2ccc(N3CCN(C(=O)OC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQXBZPJVVGIFBJ-HNNXBMFYSA-N", "SMILES:Cc1nccc2c1c(=O)n(C)c1cc(OC[C@@H](N)CC(C)C)c(C#N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNQNYIHMAZLJAV-UHFFFAOYSA-N", "SMILES:CN(CCNc1ccc2ncc(-c3ccc(C(N)=O)cc3)n2n1)C(=O)OC(C)(C)C"]}
{"name": "AP2-associated protein kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5169154"], "id": "UniProtKB:Q3UHJ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPKBTFXXDYIAOB-QZOPPTLMSA-N", "SMILES:C[C@]1(C(O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)c2cccc(=O)[nH]2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMQURCSWGOOJEF-DNHJLFCISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGOIJEASWGNILT-WJQRCLFPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCCCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRBHLUBSJAWQE-GZNUUUAQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCCCCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKVKCIEAJWIAP-GDDXUJBHSA-N", "SMILES:C[C@]1(C(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCCCCC(=O)N3CCC[C@H]3C(=O)N2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMVHKJIOZDWAT-GDDXUJBHSA-N", "SMILES:C[C@]1(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCCCCC(=O)N3CCC[C@H]3C(=O)N2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYAARQIFVXNNL-DWKCODDLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVGKKIIWKCHBO-GSRZOBFVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJIJIQMNHDEAAD-AJGMTHFWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCCCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZUKPKWKUGXQAV-HJJDGDTKSA-N", "SMILES:C[C@]1(C(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H]2COCCCCCC(=O)N3CCC[C@H]3C(=O)N2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXIXHHDFTVBOM-HJJDGDTKSA-N", "SMILES:C[C@]1(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2COCCCCCC(=O)N3CCC[C@H]3C(=O)N2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUDXKNZMKCCTSY-WSZYKNRRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQXFPJCBQXLSMF-XNCCSTQDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPXHLYUJILCJO-RBIWONGKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCC(=O)N2C[C@H](F)C[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJOBVEAVTVPFKZ-ACTFIFLWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCC(=O)N2CC(F)(F)C[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BINSOLVECRQKPH-BYIOMEFUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCC(=O)N2CCC[C@@]2(C)C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMYVVJLREYNLQH-ACTFIFLWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCC(=O)N2CC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEARFWHDBPWDLV-GSRZOBFVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCC(=O)N2CCCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNUDFHDXGNHHGR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWZHQZHKOWYTJH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(N)c3)nc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZKCFFWQXXUDOF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)nc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKZCHBURWTIEB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)nc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJRCWPFNCVVCY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSVRNWDLNHQKIR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC1CC1)CCN1CC(CC(C)C)C(O)CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZMMDWDRHARBKK-UHFFFAOYSA-N", "SMILES:COCCCOc1cc2c(cc1OC)C1CC(O)C(CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTNWMDUNNLOBC-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(cc1OC)C1CC(O)C(CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMIKCMWFQLESAU-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(cc1OC)C1CC(O)C(CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXFGMMABBUBPCW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC(F)(F)F)CCN1CC(CC(C)C)C(O)CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGMJBZVPASLKL-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(cc1OCCCOC)C1CC(O)C(CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWPBUGPUBDTKNP-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(cc1OCC)CCN1CC(CC(C)C)C(O)CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWKIVYUIDZKJOG-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(cc1OCCCF)CCN1CC(CC(C)C)C(O)CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPNXZHPFHYJMFF-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(cc1OCC)C1CC(O)C(CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRVUFVZGOKCQTI-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(cc1OCCCOC)CCN1CC(CC(C)C)C(O)CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOZBGKMZJHQSNS-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(cc1OCC1CC1)CCN1CC(CC(C)C)C(O)CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYFDMJFHQKJDV-UHFFFAOYSA-N", "SMILES:CC(C)CC1CN2CCc3cc(OCC4CC4)c(OCC4CC4)cc3C2CC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTGVFNTQCNCHU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C1CC(N)C(CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAUAQNZUGKKMFP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C1CC(O)(CO)C(CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGLPXLLFZLJOLW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C1CC(O)(C#N)C(CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAAPCPQDGSHWSB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C1CC(C)(O)C(CC(C)C)CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUNMGCULOKMBNJ-UHFFFAOYSA-N", "SMILES:CCC1(O)CC2c3cc(OC)c(OC)cc3CCN2CC1CC(C)C"], "synonym": ["Ro-41284"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307429", "category": ["biolink:ChemicalEntity"], "name": "DUVOGLUSTAT", "xref": ["InChIKey:LXBIFEVIBLOUGU-JGWLITMVSA-N", "SMILES:OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Duvoglustat", "1-deoxynojirimycin", "1 deoxynojirimycin", "1,5-dideoxy-1,5-imino-", "1,5-dideoxy-1,5-imino-d-glucitol", "1-dnj", "Bay-h-5595", "D-1-deoxynojirimycin", "Deoxynojirimycin", "Moranolin", "Moranoline", "Nojirimycin, 1-deoxy-", "Duvoglustat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4856375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXYTHACWAXVNW-DABREVLYSA-N", "SMILES:C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGSYOYPBHRLOD-PXXJPSRFSA-N", "SMILES:CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCAWNKJDQGBCBS-NPPHLGRCSA-N", "SMILES:CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHZSHWNMGBCOO-XXEQPJGYSA-N", "SMILES:CCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLBXAWDCRUJMC-KESDUTQTSA-N", "SMILES:CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVMDBISTNBNDSL-GAHAIKQWSA-N", "SMILES:CCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBVLRFGMMVKDPR-ZKYYYAMRSA-N", "SMILES:CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDQPTJXUBBYFN-BHARVXRSSA-N", "SMILES:CCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APWLXFNCURJGTL-VZXSFKIWSA-N", "SMILES:CCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNPQWSDOVRDOQ-JRJWNBDDSA-N", "SMILES:CCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UECRVJSYFGBEMU-RGWPEEHPSA-N", "SMILES:CCCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMCNHJYXBNRTEN-DVKVAQLYSA-N", "SMILES:CCCCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBIFEVIBLOUGU-UNTFVMJOSA-N", "SMILES:OC[C@@H]1NC[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4876858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXYTHACWAXVNW-JIAUUHBNSA-N", "SMILES:C[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGSYOYPBHRLOD-COMQYEOFSA-N", "SMILES:CC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCAWNKJDQGBCBS-XQVZEVJTSA-N", "SMILES:CCC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHZSHWNMGBCOO-KHTMYQNFSA-N", "SMILES:CCCC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBVLRFGMMVKDPR-BYVSKJIISA-N", "SMILES:CCCCCCC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APWLXFNCURJGTL-UOIZBMALSA-N", "SMILES:CCCCCCCCC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZULGOHKWQTCE-UHFFFAOYSA-M", "SMILES:Cc1cccc2c[n+](C)c3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc3c12.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLEBBBLJGAOQSJ-QURGRASLSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJUJTABKNSJKU-QURGRASLSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZVLKXVCYOLQNQ-QNEJGDQOSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nc3ccccc3[nH]2)c2ccc(/N=N/c3ccccc3)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1784801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQMOELKVCJWMFD-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCCC(Cn3ccnc3)C2)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL69011", "category": ["biolink:ChemicalEntity"], "name": "(E)-4-STYRYLANILINE", "xref": ["InChIKey:VFPLSXYJYAKZCT-VOTSOKGWSA-N", "SMILES:Nc1ccc(/C=C/c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3924170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKKVZZEAFJUPO-KHPPLWFESA-N", "SMILES:COc1cnc(NS(=O)(=O)c2ccc(N/C=C\\C(=O)c3cc4ccccc4oc3=O)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFIPAPLOBIKDKD-UHFFFAOYSA-N", "SMILES:Oc1c(CN2CCCCC2)cc(Cn2ncc(-c3ccc(C(F)(F)F)cc3)n2)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHZEYSQHXGBRL-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(Nc2nc(Nc3ccccc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXIWZBRMBJQQA-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccccc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVUPPHKIBIGDN-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(Nc2nc(Nc3ccccc3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNHNOUISPOGPK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(NC3CCCCC3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDJBQDWXWDLZTM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(NCCCc3ccccc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGBDWDUEHMHBDO-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2ncc(Cl)c(Nc3cccc(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYKZDUHNCAAXGK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccccn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESFFVXKERNGNK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3cccnc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSNSWGWISOBVIP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccncc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHUDSNATRGHUNK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3cncnc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBUASUBEROZIQU-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3cccnn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGXYTXDCLOCPM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNAOGJWOQFVLOM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGWEWBJFQRFCH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HETZJTKUZBUOBT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYXQHAUYFPXZQW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIGDOWJPKOPVRE-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGQCCPXSHBTJOW-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBJTPXARACKIP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(N4CCN(C5CC5)CC4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDRVNVJLPIYKX-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(N4CCN5CCCCC5C4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLTAJZAGZXAKKF-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNBLQBDZUJCOL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(N4CCNCC4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZJJKANATVKZKL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(N4CCSCC4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWFNOCLZALFPLG-UHFFFAOYSA-N", "SMILES:NC1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBJMGYJAKOSSSQ-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICOKEPHBAONPHG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccccc4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACTYGNXJGLFMRG-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXOZKOQBZDSJCB-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTXYIJYKTPPNAA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRTIVQWHCXIVQC-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VECHFXRWBBRITA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(F)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBBYYHZBGMYZJC-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cn2)nc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLNZTBMZGIQQO-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(N3CCN(C)CC3)cn2)nc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKDJMOPRADKMKS-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2ccnc(Nc3ccc(-c4ccsc4)cn3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRNIWFJLEHEGRG-UHFFFAOYSA-N", "SMILES:Fc1cnc(Nc2ccc(-c3ccsc3)cn2)nc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFOHMVCGHGFMDH-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(-c3ccsc3)cn2)nc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPCXHXAPWYWEV-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(-c3ccsc3)cn2)nc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MONPBWNFYUPTME-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Oc4cccc(C(F)(F)F)c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROMPEXMBODHHSH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Oc4cccc(C(F)(F)F)c4)n3)cc2)CC1"]}
{"name": "Dipeptidyl peptidase 1", "xref": ["CHEMBL.TARGET:CHEMBL3454"], "id": "UniProtKB:P97821", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRGRTIOBQKKCLT-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccccc2)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWZQHZJLKOODJC-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2cccc3ncccc23)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTONKOFFKFVXAW-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccc3[nH]ccc3c2)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWYBCSLNYYZDT-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccc3c(ccn3CCCN(C)C)c2)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUZAPZMPENKQKQ-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccc3c(ccn3CCN(C)C)c2)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNUWAWMSRFITMA-UHFFFAOYSA-N", "SMILES:CCNc1cc(-c2ccc3c(ccn3CCCN(C)C)c2)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDOGUAMAYSSYLX-UHFFFAOYSA-N", "SMILES:CCCNc1cc(-c2ccc3c(ccn3CCCN(C)C)c2)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSOTUIQSEALUDT-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(-c2ccc3c(ccn3CCCN(C)C)c2)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTLGGGLBFXJHEN-UHFFFAOYSA-N", "SMILES:CCC(C)Nc1cc(-c2ccc3c(ccn3CCCN(C)C)c2)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKKXGWXGSUOKFD-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1ccc2cc(-c3cc(N(C)C)nc(S(C)(=O)=O)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNAZPTARVAORJD-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1ccc2cc(-c3nc(S(C)(=O)=O)nc4[nH]ccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YERWTCHPEGGEOL-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccc3c(ccn3CCCN(C)C)c2)nc([S+](C)[O-])n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHSYWMGHCUODD-UHFFFAOYSA-N", "SMILES:CCCNc1cc(-c2ccc3c(ccn3CCCN(C)C)c2)nc([S+](C)[O-])n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFFGXYBVOWBKER-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccc3ccn(CCCN(C)C)c3c2)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIWAHRSWSQHNLS-UHFFFAOYSA-N", "SMILES:CCCNc1cc(-c2cc(OC)c3c(ccn3CCCN(C)C)c2)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZPWSRZYECJXHD-UHFFFAOYSA-N", "SMILES:CCCNc1cc(-c2ccc3c(c2)c(C)cn3CCCN(C)C)nc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPCSFVRUVKAMJ-UHFFFAOYSA-N", "SMILES:Cc1cn(CCCN(C)C)c2ccc(-c3nc(S(C)(=O)=O)nc4[nH]ccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQQPSICCWYLSTO-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC1=CC(c2ccc(C)c(NS(C)(=O)=O)c2)=NC2C(C)=NN=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYTISQGEFSHUIR-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)nc2ccc(-c3cnn(C4CC4)c3)cn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTDXONBSQHCAGP-FXAWDEMLSA-N", "SMILES:Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTWUKJEYGWLCK-ICCPGPOKSA-N", "SMILES:Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITONLBADOURBI-IAJYROFQSA-N", "SMILES:Cl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUESNOYBNRCUNO-OWRLQCHVSA-N", "SMILES:Cl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHVOCOLJHWPKEJ-OWRLQCHVSA-N", "SMILES:Cl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUNPYLAJLMQPQV-IBFMDKPJSA-N", "SMILES:Cl.Cn1ncc(Cl)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXQYGZSLRFLEH-IBFMDKPJSA-N", "SMILES:Cl.Cn1ncc(Br)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKARSAOYZBMKD-XVHUJMMASA-N", "SMILES:Cl.Cn1ncc(Cl)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKEQHWMPHQVUQR-XVHUJMMASA-N", "SMILES:Cl.Cn1ncc(Br)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQANTLXYIQICD-IBFMDKPJSA-N", "SMILES:Cl.Cn1ncc(Cl)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBNJMQPWANERNA-IBFMDKPJSA-N", "SMILES:Cl.Cn1ncc(Br)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZTPTGZNCSMLOS-ZKKBRJJYSA-N", "SMILES:Cl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWUZOFQDQZRCSL-ICCPGPOKSA-N", "SMILES:Cl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVUXEONBXLDDER-YFUYRHFLSA-N", "SMILES:Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cc(F)cc(F)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHQOJQOJPQSQF-YFUYRHFLSA-N", "SMILES:Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cc(F)cc(F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYCBGACSHAOWAG-YFUYRHFLSA-N", "SMILES:Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cc(F)cc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCMVZFXNXQKTJL-ICCPGPOKSA-N", "SMILES:Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHVFOLXIIVBJTJ-ICCPGPOKSA-N", "SMILES:Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSERDFOHJYEUPE-OWKALNPCSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2ccn[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOWJIGJTLUZGC-SWSMCDPZSA-N", "SMILES:CCn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHOJEECXVUMYMF-IQGLISFBSA-N", "SMILES:Cc1cccc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(NC5CCOCC5)ncc4Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANSUETKROJEMSJ-GDLZYMKVSA-N", "SMILES:O=C(CN1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O)N[C@@]1(CO)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCMZDAOWJBAOH-UHFFFAOYSA-N", "SMILES:O=C(CN1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O)N1CCCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDIPSADLEIZARJ-UHFFFAOYSA-N", "SMILES:O=C(CN1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O)N1CCc2ccccc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBWRTHSUXUOBA-UHFFFAOYSA-N", "SMILES:O=C(CN1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGRMGRNWYIABV-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)CN1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLMBYIFXFRCNA-CRICUBBOSA-N", "SMILES:COc1cccc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(NC5CCOCC5)ncc4Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847260", "category": ["biolink:ChemicalEntity"], "name": "BEROTERKIB ANHYDROUS", "xref": ["InChIKey:BVRGQPJKSKKGIH-PUAOIOHZSA-N", "SMILES:COc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(NC5CCOCC5)ncc4Cl)cc3C2=O)c1"], "synonym": ["AT-35029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLOVQLWPDDOBBX-WAIKUNEKSA-N", "SMILES:COc1cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(NC5CCOCC5)ncc4Cl)cc3C2=O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKNDOXUQUXESO-ACSYHNTCSA-N", "SMILES:C[C@H](C(=O)N[C@H](CO)c1cc(F)cc(N2CCN(C)CC2)c1)N1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOWKCJGRLFZWNL-NFQMXDRXSA-N", "SMILES:C[C@H](C(=O)N[C@H](CO)c1cccc(N2CCN(C)CC2)n1)N1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXELOHCKXQHQRO-JLCFBVMHSA-N", "SMILES:COc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(Nc5cnn(C)n5)ncc4Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQSFMMEFPVNJO-PUAOIOHZSA-N", "SMILES:COc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(Nc5ccnc(OC)c5)ncc4Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGTCYCHODXNDCZ-JIQFQSSQSA-N", "SMILES:COc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(N[C@@H](C)CO)ncc4Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXFZADYJIYLFCU-WGDIFIGCSA-N", "SMILES:COc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4ccnc(NC5CCOCC5)n4)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMRFBAAYXFQBMP-OYLFLEFRSA-N", "SMILES:COc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ncc(-c4nc(NC5CCOCC5)ncc4Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVOROROZROZOFN-PUAOIOHZSA-N", "SMILES:COc1cc(F)cc([C@@H](CO)NC(=O)CN2C(=O)c3cc(-c4nc(NC5CCOCC5)ncc4Cl)ccc3[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHMNDBGFIHSHV-XMMPIXPASA-N", "SMILES:COc1cc(F)cc([C@@H](CO)NC(=O)CN2Cc3ccc(-c4nc(NC5CCOCC5)ncc4Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPVIEUMIHRMLDV-XMMPIXPASA-N", "SMILES:Cc1cccc([C@@H](CO)NC(=O)CN2Cc3ccc(-c4nc(NC5CCOCC5)ncc4Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNBOLCRQCQAMN-OYLFLEFRSA-N", "SMILES:C[C@H](C(=O)N[C@H](CO)c1cc(F)cc(F)c1)N1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYFLAFQTUKXIK-QKFKETGDSA-N", "SMILES:COc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(NC5COC5)ncc4Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYUBBBDNAECIV-WHLCRQNOSA-N", "SMILES:C[C@H](C(=O)N[C@H](CO)c1cc(F)cc(OCCN(C)C)c1)N1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPSPWYNAZZEDB-IQMFZBJNSA-N", "SMILES:COc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(Nc5ccnn5C)ncc4Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRDOEKNDRFGQZ-UHFFFAOYSA-N", "SMILES:O=C(NC(Cn1ccnc1)C(=O)c1cccc(F)c1)c1ccc(-c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAZFHYZBADDQKO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)C(Cn2ccnc2)NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBSJZWFDNFWQDN-UHFFFAOYSA-N", "SMILES:CC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ccnc5c4)n3)ccc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGCJAVGYOSFLJB-UHFFFAOYSA-N", "SMILES:CN1CCC(=C(F)c2cccc(NC(=O)c3ccc(F)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBVPLBRVWOJTCS-UHFFFAOYSA-N", "SMILES:CN1CCC(=C(F)c2cccc(NC(=O)c3ccc(Cl)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGKBBQGVRMHIQ-UHFFFAOYSA-N", "SMILES:CN1CCC(=C(F)c2cccc(NC(=O)c3ccc(F)cc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNUOOXNMMOWRI-UHFFFAOYSA-N", "SMILES:CN1CCC(=C(F)c2cccc(NC(=O)c3ccc(Cl)cc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXSPEMRGSBSEO-UHFFFAOYSA-N", "SMILES:CN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDFUUAWSKOVBOV-UHFFFAOYSA-N", "SMILES:CN1CCC(=C(F)c2cccc(NC(=O)c3ccc(F)cn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOIJMBOKVCSAH-UHFFFAOYSA-N", "SMILES:CN1CCC(=C(F)c2cccc(NC(=O)c3ccc(Cl)cn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMRUBCPRVFSXPS-UHFFFAOYSA-N", "SMILES:CCN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUXRPXVQMOGIP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)=C2CCN(C3CC3)CC2)n1)c1c(F)cc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADAKGCKOJJCCO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)=C2CCN(C(F)F)CC2)n1)c1c(F)cc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHLOPRLDZOQMK-UHFFFAOYSA-N", "SMILES:CCc1cccc(CNC(=O)c2nc3cccc(COCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYCXPYBAHCBJSO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CC3(CC2=O)CN(C(=O)OC(C)(C)C)C3)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDRSFKRUXSAOV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(CCN(C(=O)OC(C)(C)C)C3)C2=O)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDBJXQTBITDMH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CC3(CCN(C(=O)OC(C)(C)C)C3)CC2=O)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXLIDWRNCZRIO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(CNC(=O)C3)C2)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUXWWILCKWHYQC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(CC2)CNC(=O)C3)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTYXJNHSPTAIV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(CC2)CNC3=O)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXJBRAOIAPGDQW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(CC(=O)N(Cc4ccccc4)C3=O)C2)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYOBGYLEVKVPEU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDGGBHXDYYUIIY-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFLAUADCAKQMJD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(CCN(C(=O)OC(C)(C)C)C3)C2)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLEVNQJHKVQAHA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(C2)CN(C(=O)OC(C)(C)C)C3)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATSTKQJUZGEGS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(CCNC3=O)CC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADYVXWDDZJIPRE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCC3(CC2)CC(=O)NC3=O)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGRDKSRFFUBBU-SFHVURJKSA-N", "SMILES:CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHITCCWGPZIKV-GYVLLFFHSA-N", "SMILES:CN1CC2=C(NC(N)=NC2c2ccc(C(F)(F)F)cc2)/C(=C/c2ccc(C(F)(F)F)cc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUTUGZHBGDTOU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQGBWCQFFQNEU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJHKPQHHHNDBPD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REGILILZAAWJEK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1322660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXDWQZCRILDHPD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCYPTIOTUIRQV-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHLICLDBIJMFF-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPHRZXPYUUIAD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AROXJWNWANVMKG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLATXSKAFGZUHM-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)ccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDXCENPLJYGST-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBPFPNBROYEDV-UHFFFAOYSA-N", "SMILES:COc1cc(Br)ccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEETWFGNHVHRAS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFGAZJNDWLABNV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQEULRZTDZOICN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUGNNHAXQVIMBI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(F)c(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYXZKBVCSSVYAA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ncc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYLEJUDCUYCCC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)nc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBKXGVALYOHUQF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGBGHHHADBGHV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTPHJCKWPHKJW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSKAICRTMVFZOZ-FMDFGENTSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1/C=C/C(=O)Nc1ccccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJPRQARQLYDCOG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(NC(=O)CSC(=S)N3CCN(C(=O)OC(C)(C)C)CC3)nnc2-c2ccc(C)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUQHZXIXSTTDU-SFUIVIKGSA-N", "SMILES:NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@@H]4CCc5ccccc54)ncnc32)C[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4859409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYHINBSUEPEMLP-WEVVVXLNSA-N", "SMILES:O=C(O)CCNC(=S)NC/C=C/c1cccc(F)c1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSMTDMWZNVDBR-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCc1cccc(NCc2ccccc2)c1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRBRGYCXHLDNG-HWKANZROSA-N", "SMILES:CCCOc1ccc([N+](=O)[O-])c(/C=C/CCNC(=S)NCCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GABLGPDRBURDQZ-XBXARRHUSA-N", "SMILES:O=C(O)CCNC(=S)NCC/C=C/c1cc(NCc2ccccc2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJKODAPPUCXPE-DXWDOBMASA-N", "SMILES:C[C@@H](Nc1ccc([N+](=O)[O-])c(/C=C/CCNC(=S)NCCC(=O)O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSBLLVZVPZIPSH-XBXARRHUSA-N", "SMILES:O=C(O)CCNC(=S)NCC/C=C/c1cc(NCCc2ccccc2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXXRKIIXINHLFU-DAFODLJHSA-N", "SMILES:O=C(O)CCNC(=S)NCC/C=C/c1cc(Oc2cccc(F)c2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMZMDIOBKNHHNQ-DAFODLJHSA-N", "SMILES:O=C(O)CCNC(=S)NCC/C=C/c1cc(Sc2cccc(F)c2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSZZGUDPXZETH-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(NC(C)=O)c(CCCCNC(=S)NCCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDDJBSYLOUUSZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2cccc(F)c2)cc1CCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMWVWAYFYDIOH-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCCc1cc(NCCc2ccccc2)ccc1NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVGRFRQFXKFCJM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(NCCc2ccccc2)cc1CCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPHTSIHOIGTKJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCCc1cc(Oc2cccc(F)c2)ccc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXBZBFMUHVCKOL-UHFFFAOYSA-N", "SMILES:CCCOc1ccc([N+](=O)[O-])c(NCCCNC(=S)NCCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKROZOOEYLKPEZ-OAHLLOKOSA-N", "SMILES:C[C@@H](Nc1ccc([N+](=O)[O-])c(NCCCNC(=S)NCCC(=O)O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVGLICYKQXGNZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1cc(NCCc2ccccc2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFEJCYCEXAYXCY-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1cc(Oc2cccc(F)c2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMHFVYHZKWUSP-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1cc(Sc2cccc(F)c2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALRLAKWACZVGU-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCCc2ccccc2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRFCJGGOPHANM-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCc2ccccc2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLUCSYKEXQGXAB-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1cc(NCCc2ccccc2)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYPPFXAOCGGLJP-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1cc(NCc2ccccc2)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJJWDTXZDWPBAR-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCCc2ccccc2)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYRMINWVBRMFEF-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCc2ccccc2)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFNKWDQGTZTQKS-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCc2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLOHVGOCSASVBW-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1ccnc(NCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCINHDOJLGKAM-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCc2ccccc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZBKDKWXMUUFID-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCc2ccccc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRAQSHZOSZIXDT-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCc2ccccc2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBOMRQBLXTZKIZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCc2ccccc2)ncc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMHKZSOHAKUOTQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(NCc2ccccc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZJZBTRIHLMVNA-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NCc2ccccc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEAPZJWXJWNRMC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NCc2ccccc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYONLIUBSZRNKW-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCc2ccccc2)ncc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJTDCJSQQAJZFU-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1cc(C(=O)O)nc(NCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZEUPFSYUQXHOF-CYBMUJFWSA-N", "SMILES:C[C@H](c1ccccc1)c1ncc(I)c(NCCCNC(=S)NCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSDOGBXCEHCYEA-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(CCc2ccccc2)ncc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHZQMOJGPQGSK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(CCc2ccccc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSGXIVSHTKBIDV-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(CCc2ccccc2)ncc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZIGNKIRJQEOD-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(CCc2ccccc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVLRJPEQJSLAO-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(CCc2c[nH]c3ccccc23)ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVOPLNICFPHFV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(CCc2c[nH]c3ccccc23)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKJHCUXRYHRMJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(CCc2c[nH]c3ccccc23)ncc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPHSDFDMYLNDFG-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1cc(C(=O)O)nc(CCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEJMWPNVCQYZKG-SVBPBHIXSA-N", "SMILES:O=C(O)CCNC(=S)NCCCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCNZHQAOMKLKPC-QVYXCMIBSA-N", "SMILES:CC(=O)N[C@H]1CCCCNC(=O)CCCCCCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUUSUJEPKBBBB-CXUHLZMHSA-N", "SMILES:N#C/C(=C\\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(C#N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRKBBAYWNZHJJ-QFRXKQBOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNCc1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CCC(C)(C(=O)O)c1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXKGYVHVWCCQGQ-DDGZQKRDSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=S)CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSPMOBILDLOCV-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCN(Cc3ccc(S(=O)(=O)F)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSUGGDPRMUCSL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)CCl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRYUQRCNBKCRCM-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTGJCTOJZGXSGD-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc(NCCS(=O)(=O)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVAKEMJSSDXOG-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)c3cccc(S(=O)(=O)F)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMSBIEPRLPVMLY-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(S(=O)(=O)F)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFVNIURAUGZTD-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc(NC(C)=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQODGOMHYSMCGK-QGZVFWFLSA-N", "SMILES:C[C@@H](Oc1cc(-c2cnc3cc(-c4cnn(CCN(C)C)c4)ccn23)sc1C(N)=O)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRYWGQAEVAUIL-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)s4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPBJWHZPHHJCJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4ccc(C(N)=O)s4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGNPENTAIWGHF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4ccc(-c5cnn(C)c5)s4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFFSZPLVCPAQOO-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4ccc(-c5ccc(F)cc5)s4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQMNHOOOYLLRK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4ccc(-c5cccc(F)c5)s4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLFDFHMBOQSLV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4ccc(-c5ccc(Cl)cc5)s4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGDCBWHESDAKNG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4ccc(-c5cccc(Cl)c5)s4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFNUKCOSGQRIG-UHFFFAOYSA-N", "SMILES:COc1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc3cc(-c4cnn(C)c4)ccn23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSHWIBNWRYPMS-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-c1ccc(-c2cnc3cc(-c4cnn(C)c4)ccn23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMRUCMUVDGDVNS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4ccc(-c5ccncc5)s4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLLYLCMRIXFFOH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4ccc(-c5cccnc5)s4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEBCKPZEQJZPFB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4ccc(-c5cccc(C(F)(F)F)c5)s4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUINKGXYDIKQG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccn34)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUJWTIIQOQKPX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccc(F)cc5)s4)cnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZPSEBMVYGJRP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccccc5C(F)(F)F)s4)cnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSIIWAWNSLFTBC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccncc5)s4)cnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHDNGVWTGJEGV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5cccnc5)s4)cnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRNBDYRDRCKGFN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccn34)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMDPUXONYMESOH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccoc5)s4)cnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFILTCTFHZJKU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3ncc(-c4ccc(-c5cnn(C)c5)s4)n3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLZJMOGSNGOTPS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3ncc(-c4ccc(-c5ccc(F)cc5)s4)n3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXZHRINOIMCXKR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3ncc(-c4ccc(-c5ccc(Cl)cc5)s4)n3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACKVOZPFGNXMT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3ncc(-c4ccc(-c5ccoc5)s4)n3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZBFKQDEKONIOW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(-c3cnc4ccc(-c5ccc(S(C)(=O)=O)cc5)cn34)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPZDGQKMNVXXNU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4ccc(-c5ccc(F)cc5)s4)n3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISFGPQBYGRIPKJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4ccc(-c5cccc(Cl)c5)s4)n3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZRYPLGGZRABKC-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccc(-c3cnc4ccccn34)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZHHMNPHFQCOC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(-c3cnc4ccccn34)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDDSVPRLHYUMHF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(-c2ccco2)nc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDHKYDUAATJLO-UHFFFAOYSA-N", "SMILES:Oc1cccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTSBPMGANHEMKQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSRQLXFWCFXCD-UHFFFAOYSA-N", "SMILES:OCc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBMDYAQUWUIIO-UHFFFAOYSA-N", "SMILES:Oc1cccc(CNc2nc(C3CCCCC3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSZIIAFFPBLGA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(C2CCCCC2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1444859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLWYHLPRCPPQD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nc(-c2ccco2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJQULFZWTVQKV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccco2)nc(NCc2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDCXDDNLQKLLJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1511893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQRFYDCTAKSJF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKWLRJGQYIJBRO-UHFFFAOYSA-N", "SMILES:NCc1cccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDIBWSKTAYMJE-UHFFFAOYSA-N", "SMILES:NCc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBDBYSGIPCMLM-LGLWFPHMSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPRLHPAMAZEBBO-BXSLSLRRSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYAKHVRXIRLUFW-LNBVVPPCSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCC(=O)N5C[C@@H](C)C[C@H]6O[C@]7(CC[C@@H]8C(=C7C)C[C@H]7[C@H]8CC=C8C[C@@H](O)CC[C@@]87C)[C@H](C)[C@@H]65)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCUGOLKWBKMSD-OPRUUDKGSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCC#CCCC(C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBHDGBNNKAXOEF-XGUXPKHRSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCO)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVZDWXVQIHSRD-YHBQERECSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OC)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAYLQRSOBRWIOJ-WVDAXIGBSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQHDVVCIKZLANK-NDROFJCCSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQIWOALEHRQFM-UVQJTJEZSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQFALOMNWRCGD-OQUMZBJMSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKADKSRKZLMZJU-WVAWQSHUSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHDJWWSXGJVVBD-AOFNMHOSSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCn4cc(COCCCCCCC(C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJSIPMISZUHUER-MWILAZTRSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFAEJWFPOYWKB-ZRGQZHORSA-N", "SMILES:CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTKAUVJXMURLSB-GUAYPBSVSA-N", "SMILES:CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZFZBMZVMBCIHF-GJSYTKBOSA-N", "SMILES:CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSNKVLPBKLHOH-TZFHGROLSA-N", "SMILES:CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYTZZTIUVFAOPY-FFGRDAFISA-N", "SMILES:CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFNLYYCRFFJSS-KZGVZANWSA-N", "SMILES:CC(O)(CCCCCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPGTDJNXUHNAS-KMUOLSPLSA-N", "SMILES:CC(O)(CCCCCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFQGWJDRIFIAL-FVSZOXBASA-N", "SMILES:CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPAFHQSRIXFTAK-STYBBXLRSA-N", "SMILES:CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPQGUEOXKPUDRV-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCOCCOCCOCCOCCOCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVOFFDQNAVGDE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc([Se]CC(O)CSc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJCQETJRQMDDRT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc([Se]CC(O)CSc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBIZFRBYQYAPDX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc([Se]CC(O)CSc2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZQWDGBZAXLBH-UHFFFAOYSA-N", "SMILES:CC(O)CSCC(O)C[Se]c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFFFZXPNNWEAM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc([Se]CC(O)C[Se]c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIAHOWZTSKFLIG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1[Se]CC(O)C[Se]c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEKMFRBPRHRCV-UHFFFAOYSA-N", "SMILES:CCCC[Se]CC(O)C[Se]c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVSGWSCJAZLDGO-UHFFFAOYSA-N", "SMILES:C=CCOCC(O)C[Se]CC(O)C[Se]c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEXWKPTLXTQDR-UHFFFAOYSA-N", "SMILES:Cc1ccc([Te]CC(O)C[Se]c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVAZHPAUIJUNRE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(SCC(O)CSc2ccccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWQLCSAZOZBSM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(SCC(O)CSc2cccc(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGYGELJQPBBCV-VYRBHSGPSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](C)CSCC(O)CSc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCBBWIKTLMXPY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(SCC(O)C[Se]c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGAMVGQJIYFNP-UHFFFAOYSA-N", "SMILES:COc1ccc([Se]CC(O)CSc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBKSQUBIMHPBPN-UHFFFAOYSA-N", "SMILES:CCCC[Se]CC(O)CSc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHZDWPRIFIBLMT-UHFFFAOYSA-N", "SMILES:C=CCOCC(O)C[Se]CC(O)CSc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBLZYXAFPDYEH-UHFFFAOYSA-N", "SMILES:COc1cc([Te]CC(O)CSc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWCIYLXNRVTMRO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCCVJKHNSXKPG-UHFFFAOYSA-N", "SMILES:CN(CCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPULSQQTOLRHKW-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAYDYSWEBWGTPA-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccccc3Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELMVRPOZLZKKY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3cccc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBQQKKVZHBBGSY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccc(Cl)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFTFGRVEPHQRAJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3cc(Cl)cc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGZZEEHMCBOBFY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3cccc(C(F)(F)F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDWXWZTCBXVCR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccc(F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHNTWHCMAUHEH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYAPSPMVYQLOEV-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUDOJWULIRBXOO-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIIHXULHGYZIGI-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRJTPPRQGQUPO-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCHZZBIUUARTL-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBVVAYIBBFTRT-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccc4c(c3)OCCO4)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLMMDLYWUUMIGF-UHFFFAOYSA-N", "SMILES:CCOc1cccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBOPVBNPFMAZKR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQRCQQYTSHRRJ-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZVUCOMKFCQRBX-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUVLRQDHNRBCW-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEFKQXHMADIPHK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDZPMHOGNIRAB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(Cc4ccccc4)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBFYHWHICKMNAR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCC3CCCCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZILBYNKRTASLQG-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCC3CCCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBRENVJHDFZHI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCC3CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVKVXSWFWQQKLZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCC3CCCNC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAIRCARNMCVGAC-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFNXOOWTLDRZSS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPBMHVYZRXHUBV-UHFFFAOYSA-N", "SMILES:CNCCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKCOHPNSFRCAW-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccccn3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYTPYASYYMTFQU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccncc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATAVBALWDGSEPM-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDNHCHBEZOPSZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2c(OCCNCc3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRVWIJOWBVCJG-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCCOc2cccc3c2CCN3S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDYCVQCRNHOTO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC(CNCCOc2cccc3c2CCN3S(=O)(=O)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUNOEVGNBXQEQ-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(CNCCOc2cccc3c2CCN3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDUPOZXXJNAMJQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc2ccccc12)n1ccc2c(OCCNCc3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUJNEQDEURDKIV-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWSOANQCURJQG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC(CNCCOc2cccc3c2ccn3S(=O)(=O)c2cccc3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGBRQUNKLLWPV-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(CNCCOc2cccc3c2ccn3S(=O)(=O)c2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODKOIBVVWPLHQ-UHFFFAOYSA-N", "SMILES:c1ccc(CNCCOc2cccc3c2ccn3Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIOBTXCHUKCEGJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCCOc2cccc3c2ccn3Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPVRNAGSDCRRM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC(CNCCOc2cccc3c2ccn3Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBUYKTOCSJFCFH-UHFFFAOYSA-N", "SMILES:c1ccc(CNCCOc2cccc3c2CCN3Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQMUBXDTGCLJV-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCCOc2cccc3c2CCN3Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVIJBQYVTIZOAJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC(CNCCOc2cccc3c2CCN3Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHXVPVWIUUUBY-UHFFFAOYSA-N", "SMILES:O=C1Cc2c(OCCNCc3ccccc3)cccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGMWMHBTXUDMOB-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCCOc2cccc3c2CC(=O)N3Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZAARTZOVUBBE-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC(CNCCOc2cccc3c2CC(=O)N3Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANHGJPIQEGVWNM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(OCCNCc3ccccc3)cccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJBVPAHTUVAOI-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCCOc2cccc3c2[nH]c(=O)n3Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRLLXHKVIAXEP-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC(CNCCOc2cccc3c2[nH]c(=O)n3Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNWWCLNNWZFIT-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COC4CCC4)C3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJMPZFDYPOFQB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CC4(F)F)C3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLGCDTMMQVNEKF-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CCC4)C3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPAKMYDZQMMOO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC4(CC4)C3)C(F)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBUVVPDQNUYGOE-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYGWRYJIKUTQPQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCPFANVUPJGHEY-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccc(C(F)(F)F)cc3)cc2)c1C"]}
{"name": "Homeobox protein Meis1", "xref": ["CHEMBL.TARGET:CHEMBL4879409"], "id": "UniProtKB:O00470", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYDTOLZKXRWMX-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)COc2ccc(C(=O)Nc3cccc(C)c3C)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXOPKCMCHFEJU-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)COc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMYHBVSJRISDQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDWNGCTTPVWRV-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKOVIBDAOTPED-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)COc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJSYFFNVCFZRII-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVQJYTIRUPNZAV-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(OCC(=O)NCc3cccc(Cl)c3Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMYCTHERJSVEK-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBMMGTMYOFEBPE-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)COc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTXVJLWJMNYHV-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)COc2ccc(C(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCDURNNFNFNQON-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)COc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLMRBTGADQYWHD-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHPGRAQEKBMJC-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1ccc(OCC(=O)NCc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPZJYHOWNFBLTI-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)COc2ccc(C(=O)Nc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPLTIRFKZSDLA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)COc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXUUITNBTIHGQI-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUORLADXMUJBU-UHFFFAOYSA-N", "SMILES:CCc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGUYSGXPGCAFGJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)COc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQCMCAHUKLYAY-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUQPXCREUMRWSL-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQXRDQRKRNECLZ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cc1)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTJGVQUUIKXJC-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)Nc2ccccc2F)cc1)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKZTUQOCSVZSLG-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOMPRQCZHOBNM-UHFFFAOYSA-N", "SMILES:CCc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUSZNNHTOCWSW-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFNRGQDYURUNGE-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BINJVSFLWFTLCT-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cc1)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBNJGMPJXAJYHP-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(=O)Nc2ccccc2)cc1)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1438632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJQVNZAPZMEDA-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYASHXPUZJDWIO-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHKXMFBRQDFRSF-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCCC3)n2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKBGBCLPKTOGS-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXAQYOHKHYUOTO-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUAVAAXWRAUNAC-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2ccc(Cl)cc2Cl)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCYACANDHXNLI-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(F)ccc2F)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZWCGSHIKMCBK-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Br)ccc2Br)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVHFYPFTYMRBNJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2ccccc2)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOYFKJXFPMNFPM-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOC1=O)c1cnc(NCc2cc(Br)ccc2Br)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWINAFZLCXMYIY-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXFWYECNWTZAEC-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVWICVDPLXWCKJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALBSJFBWOITQSZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2cccc(Br)c2)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOAQKAHJXSLGLX-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2ccccc2Cl)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRZPJXFDFRAPCU-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2ccc(Br)cc2)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVWAWTHIACXFGQ-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1=O)c1cnc(NCc2ccccc2Br)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUOZQCLEYDMAB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCCC3)n2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNFDMMCYNPIMKG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPLPIBNWDLPUKP-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZPBROLABIBYNC-YXOGWZJSSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNKXHZNGYZMNG-ZPAWJIGKSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAOFNAXBJJEHOP-VZNYXHRGSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGZYKIDOACEPBX-HVWQDESWSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBLRPEOUHPOIDR-KRFMAMIKSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEUXLENUTCCIOY-QEGGNFSNSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHNGIHXOKMSFOD-MRWFHJSOSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXHZUBTOAWXEA-KQQMQGIYSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHNGIHXOKMSFOD-QNXSJEMLSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAOXNKVUDSXJMW-DIIMNECFSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJYWTBWCJTCNW-BWFYGAPHSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAXQEAJPJNIAPN-KRFMAMIKSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMXXQTFGOXONQX-ZBMOXSJNSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJPRSPSMBVKRV-ZPAWJIGKSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJFDRSQWHNSSJ-NZKHRDNMSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJPRSPSMBVKRV-LQDUMDOSSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAXQEAJPJNIAPN-CUPIEXAXSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRKLLYZJJPVLG-AOJHZZQJSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPOZHUCUVYSIB-CVGILMMLSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPTYEQVKIVHBRN-PSWJWLENSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRKLLYZJJPVLG-AXXKPAGNSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIQWHJELWBNLI-YXOGWZJSSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVISPBLQYTSHU-VZNYXHRGSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEUAUPZATYLEHM-BPXGVECKSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHPXLGSETWUHC-KQQMQGIYSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTZGHOWHQSXSA-ZPAWJIGKSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKSQYDJAPDOHRU-ZPAWJIGKSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKSQYDJAPDOHRU-WCTYMAGYSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAOXNKVUDSXJMW-CVGILMMLSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFHJSFDHAZMQQA-NAGBALJGSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEGIOEDDDNGHNS-LVVLYVGBSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJHCCXQMOTJLU-IHZBLBIESA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPTYEQVKIVHBRN-HVRNLMOBSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAOJABQTKZYSHG-AIQXTLEGSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIQWHJELWBNLI-ITGKQZKFSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVISPBLQYTSHU-ZXYZSCNASA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPOZHUCUVYSIB-YIEWKAQUSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMXXQTFGOXONQX-WRCAVZGJSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASMGTDNJHGVJW-NZKHRDNMSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJFLYSMWSRRMRO-DTXPUJKBSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBBZXHUFHIEZHP-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(F)c(C(F)(F)F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLIDFKYRDXZCOP-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJZFOTKMZCYJDF-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(F)c(F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMMHIPSMLPJKQ-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(C(F)(F)F)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOJNPOFWWQXBX-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(F)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBSBJBNKSZCLY-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3cccc(C(F)(F)F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIRZTYWYVGTPEV-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3cccc(Cl)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPCWFYJUONUHM-GOSISDBHSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3cccc(F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXQAWREKCQJCS-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3cccc(F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZSUVPAQIUIGI-CQSZACIVSA-N", "SMILES:CNC[C@@H](Nc1nc(C(F)(F)F)nc2c(C(N)=O)cccc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGUGRAWIWHCJF-MRXNPFEDSA-N", "SMILES:CCc1nc(N[C@H](CNC)c2cccc(F)c2)c2cccc(C(N)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSLKQMBMFBKGRK-MRXNPFEDSA-N", "SMILES:CNC[C@@H](Nc1nc(C)nc2c(C(N)=O)cccc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMOLIOJAWRTIV-HNNXBMFYSA-N", "SMILES:CNC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3685329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMOLIOJAWRTIV-OAHLLOKOSA-N", "SMILES:CNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMOLIOJAWRTIV-UHFFFAOYSA-N", "SMILES:CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXWWGHDOHRWOE-OAHLLOKOSA-N", "SMILES:COC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3680521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMONDFPCFVRCS-GOSISDBHSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHYKZUXXJKSBRB-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccccc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEAMMIUQZAASJ-MRXNPFEDSA-N", "SMILES:CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3680423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQATWIICNAVGU-QGZVFWFLSA-N", "SMILES:NC(=O)c1cccc2c(N[C@H](CNC3CC3)c3ccccc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMCGKYLIYMLOY-CQSZACIVSA-N", "SMILES:NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUHXGNRBIKAYKL-UHFFFAOYSA-N", "SMILES:CNCCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUGVCOVSKGHMS-UHFFFAOYSA-N", "SMILES:CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJLVKHXNQQZGT-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3ccc4c(c3)OCO4)ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTPDPEHTPPGPLH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3ccc4c(c3)OCO4)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLZGHLVKUFSFBL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3ccccc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWLNKHCZMLLVBD-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2c(C(N)=O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHULTJPTZMOSNS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3ccccc3F)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCAURAAIHCEWSW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYGSEHMDQICYSL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3ccc(F)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJYBLSITFIPEB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3ccccc3C(F)(F)F)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHVRDMXMXGXEQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3cccc(C(F)(F)F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZSOMODRJHNWOR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMIBEQVTPKEHBE-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNc1ncnc2c(C(N)=O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKYYRLGHVJTHO-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWWUUPMCGUKMO-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ncnc3c(C(N)=O)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3639742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWPXOBSLFBHGEZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3ccc(F)cc3F)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXRUTBTWKQVBSM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3cc(F)cc(F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3680434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCLWJDUZVZPJH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3ccc(F)c(F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3680537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWCZMOGCUIUIA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c(NCc3cc(F)c(F)c(F)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPIGICDKMODSOZ-FTOXFMDVSA-N", "SMILES:COC(=O)[C@@]12[C@@]3(C)[C@@H]4C=C5C(=CC(=O)OC5(C)C)[C@@](C)(O)[C@@H]3C[C@@]3(C)C(=O)O[C@@H](O[C@@H](C)[C@@]1(O)O4)[C@@]23O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868568", "category": ["biolink:ChemicalEntity"], "name": "MONZOSERTIB", "xref": ["InChIKey:DNTVXDZWVOVLOD-GDNBJRDFSA-N", "SMILES:CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O/C(=C\\c2c[nH]c3ncccc23)C1=O"], "synonym": ["Monzosertib", "Monzosertib", "Monzosertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFQSAMRLJWAGE-UVTDQMKNSA-N", "SMILES:CCOC(=O)C1=C(NN(CC)CC)O/C(=C\\c2c[nH]c3ncccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIXPJKZBUMZMKT-UVTDQMKNSA-N", "SMILES:CCOC(=O)C1=C(NN2CCCC2)O/C(=C\\c2c[nH]c3ncccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBLJJUGWYINDEB-UVTDQMKNSA-N", "SMILES:CCOC(=O)C1=C(NN2CCOCC2)O/C(=C\\c2c[nH]c3ncccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXULPDNEADLFBR-VBKFSLOCSA-N", "SMILES:CCOC(=O)C1=C(NN2CCCCCC2)O/C(=C\\c2c[nH]c3ncccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJHOWPILRYPKJW-PTNGSMBKSA-N", "SMILES:CCOC(=O)C1=C(NN2CCN(C)CC2)O/C(=C\\c2c[nH]c3ncccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAFOVRNUFWFXOR-UHFFFAOYSA-N", "SMILES:CN(Cc1cn(-c2ccccc2)nn1)c1nc(=O)c2cc(S(C)(=O)=O)cc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRMCAFUNKDTIE-UHFFFAOYSA-N", "SMILES:CN(Cc1nnc(-c2ccccc2)o1)c1nc(=O)c2cc(S(C)(=O)=O)cc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWHUPIAKVIKJN-UHFFFAOYSA-N", "SMILES:CN(Cc1coc(-c2ccccc2)n1)c1nc(=O)c2cc(S(C)(=O)=O)cc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHCXIAOYLDHOY-UHFFFAOYSA-N", "SMILES:CC(C)(N)CCNc1nc(Nc2ccc(C#N)nc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUFFAXWVNRDSDQ-CQSZACIVSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPZYXQYPWFYBC-LLVKDONJSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVKAOROWAGVMV-GFCCVEGCSA-N", "SMILES:N#Cc1ncc(Nc2ncc(C(F)(F)F)cn2)cc1O[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEDRLOGGREMJD-SNVBAGLBSA-N", "SMILES:N#Cc1cnc(Nc2ncc(C(F)(F)F)c(NC[C@H]3CNCCO3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPZYXQYPWFYBC-NSHDSACASA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(O[C@H]3CCCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHUFMWBEWOLWRV-SNVBAGLBSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHUFMWBEWOLWRV-JTQLQIEISA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(O[C@H]3CCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXFAOHOEOJFEPR-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(OC3CCNCC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZMPLJYWBKQIK-LLVKDONJSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(OC[C@@H]3CCCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTJIGAMNBRSHQD-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(OCC3CCNCC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZCCCHZGVAWFC-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(OC3CCN(C)CC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTIDBLPVMKJPON-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(OCCCN)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJYWCKBVPZZQG-SNVBAGLBSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(N[C@@H]3CCCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJYWCKBVPZZQG-JTQLQIEISA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(N[C@H]3CCCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPHFNMPIZSFHMD-SECBINFHSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(N[C@@H]3CCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPHFNMPIZSFHMD-VIFPVBQESA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(N[C@H]3CCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJNHWFKLKHFJT-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(NC3CCNCC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICSUHSKJIDIZNX-LLVKDONJSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(NC[C@@H]3CCCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOLJYDSQWGSTJI-SNVBAGLBSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(NC[C@@H]3CCNC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWAAKFOZBAITSG-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(NCC3CCCCN3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWIYKINGTJLFSI-SNVBAGLBSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(N[C@@H]3CCN(C)C3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWDXZYPPRQDAZ-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(NC3CN4CCC3CC4)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVWTCPBOQWSCS-PHIMTYICSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(N[C@H]3CC[C@@H](N)CC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVWTCPBOQWSCS-XYPYZODXSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(N[C@H]3CC[C@H](N)CC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGHIICXJTYLBU-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(NCCCN)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDQUGFFULZYMX-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(NCCN)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYYACGCKFQCFA-UHFFFAOYSA-N", "SMILES:CNCCNc1cc(Nc2ncc(C(F)(F)F)c(NC)n2)cnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRROIPKQYWPEJ-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cnc(C#N)c(NCCN(C)C)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXHIULAHVAWRFQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC3CCNCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGCWXYNYWHEJT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC3CCCNC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCWSSARZVRMHD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSXWOLHIAYKFGE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCCNC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHFBMNGFXPMEM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCCCN3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLDBNFVLLIFMLS-UHFFFAOYSA-N", "SMILES:CN1CCC(CNc2nc(Nc3ccc(C#N)nc3)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUMKGALYJKXQB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC3CN4CCC3CC4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCJOUUUJPDSNB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC3CC4CCC(C3)N4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGCWXYNYWHEJT-LLVKDONJSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(N[C@@H]3CCCNC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGCWXYNYWHEJT-NSHDSACASA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CCCNC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSXWOLHIAYKFGE-LLVKDONJSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC[C@@H]3CCCNC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSXWOLHIAYKFGE-NSHDSACASA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC[C@H]3CCCNC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGQWGEIGXQSKLA-GFCCVEGCSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC[C@H]3CNCCO3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZVYARXSFPTIG-SNVBAGLBSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NC[C@@H]3CCNC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHYMMDJOOXMDDN-NSHDSACASA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CCNC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURGJOGRWTUVSP-PHIMTYICSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYREFMQVBJUKW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCN)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDJXQDSPXOHOU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCN)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCTQOOQFJLPECY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCCN)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYKSQXQOPJCMX-UHFFFAOYSA-N", "SMILES:CNCCCNc1nc(Nc2ccc(C#N)nc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGXNQAWMOOQBES-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc(Nc2ccc(C#N)nc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKOOHUQHGNDAE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNCCCNc1nc(Nc2ccc(C#N)nc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERFHTLQMQPAIT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCNC=O)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFKKOFUPKNKJBU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCNCCC(N)=O)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBPGYZNGDGRIDZ-UHFFFAOYSA-N", "SMILES:COCCNCCCNc1nc(Nc2ccc(C#N)nc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCLJCRCFTUOME-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCNCCO)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOAOOXYLFSEYHP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCNCC(O)CO)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDCWKROOQFCIGR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCNCCN3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULTZWQPTUQOPQ-UHFFFAOYSA-N", "SMILES:CC(C)NCCCNc1nc(Nc2ccc(C#N)nc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYOFODRFANOQB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCNC3CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXASWEQZHZGQCY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCNC3CCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQDIXZNVRDTWJU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCNC3CCCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZIJJOKJGMAQG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(NCCCNC3CCCCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWYWOLAIWNZNI-UHFFFAOYSA-N", "SMILES:CC(N)CCNc1nc(Nc2ccc(C#N)nc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFNGZAXLGBTEDK-UHFFFAOYSA-N", "SMILES:CNC(C)CCNc1nc(Nc2ccc(C#N)nc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWHWZXDAJQMEBB-UHFFFAOYSA-N", "SMILES:CC(C)(CN)CNc1nc(Nc2ccc(C#N)nc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURGJOGRWTUVSP-XYPYZODXSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@H](N)CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIUUSYTQPKKHD-WMZOPIPTSA-N", "SMILES:O=C(N[C@H](c1cn2ncc(CN3C[C@@H](C(F)(F)F)NC3=O)cc2n1)C1CCC(F)(F)CC1)c1nonc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLMTVMZWBBFCPF-LPHOPBHVSA-N", "SMILES:CC(C)c1nonc1C(=O)N[C@H](c1cn2ncc(CN3C[C@@H](C(F)(F)F)NC3=O)cc2n1)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZYMLIREAQIFIF-ZFWWWQNUSA-N", "SMILES:O=C(N[C@H](c1cn2ncc(CN3C[C@@H](C(F)(F)F)NC3=O)cc2n1)C1CCC(F)(F)CC1)c1nonc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPJGSPAOYAOTA-QTEQDKRBSA-N", "SMILES:COC[C@H](c1cnn2cc([C@@H](NC(=O)c3conc3C3CC3)C3CCC(F)(F)CC3)nc2c1)N1C[C@@H](C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIIADHFRZOYRQU-VYDXJSESSA-N", "SMILES:COC[C@H](c1cnn2cc([C@@H](NC(=O)c3nonc3C(F)F)C3CCC(F)(F)CC3)nc2c1)N1C[C@@H](C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYLHVIWYMGYIC-VYDXJSESSA-N", "SMILES:COC[C@H](c1cnn2cc([C@@H](NC(=O)c3nonc3C(F)(F)F)C3CCC(F)(F)CC3)nc2c1)N1C[C@@H](C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMPOKUSUGUIPK-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)c1ccc2cc(C(=O)Nc3cc(-c4cccs4)ccc3N)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTPUATYLVOWAX-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1ccc2cc(C(=O)Nc3cc(-c4cccs4)ccc3N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRFDCZYNUJFSTL-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc2c(c1)ncn2CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXQZUUCRKYESL-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc2c(c1)CC(=O)N2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OILQXXBPDUYXAW-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DITFNMBCRZRUJF-UHFFFAOYSA-N", "SMILES:CN1C(=O)Cc2cc(C(=O)Nc3cc(-c4cccs4)ccc3N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUXTXINOMLXBT-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-n2ncc(-c3ccc(C#N)cc3)c2O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWIJDKSHKWCERJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-n2ncc(-c3ccc(C#N)cc3)c2O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRFDYHBYZRUDW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnn(-c3ccc(-c4nccs4)cn3)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPCDARDFGDSKP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnn(-c3ccc(N4CCCC4=O)cn3)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYJNKKMLWTZIE-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(-n2ncc(-c3ccc(C#N)cc3)c2O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSROFKXFIOXOLV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(-n2ncc(-c3ccc(C#N)cc3)c2O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLUNFHGEBAZYCQ-UHFFFAOYSA-N", "SMILES:CCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(Cl)c(C(=O)Nc3ncn(CC)n3)cc12"]}
{"name": "Acetyl-coenzyme A synthetase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL4523467"], "id": "UniProtKB:Q9NR19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNEQZCDEUPWRRX-UHFFFAOYSA-N", "SMILES:CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2cccs2)c2cccs2)n3CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNKJHGDZGGLQNR-UHFFFAOYSA-N", "SMILES:CCc1coc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSHKHTIZIQXZAX-UHFFFAOYSA-N", "SMILES:CCc1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWCQYAZODUEFO-UHFFFAOYSA-N", "SMILES:CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccc(OC(F)F)cc2)c2ccccc2F)n3CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILOZSKZWTJTARE-UHFFFAOYSA-N", "SMILES:CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2F)c2ccccc2F)n3CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQHOJYHITHIAKQ-ALLBUHFWSA-N", "SMILES:Cc1c(Cn2cc(C(=O)N[C@@H]3CCc4c3ncn4C)cn2)cnc(N2CC3CC3C2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBZPGBZHDJOJSL-LADRWXRNSA-N", "SMILES:Cc1c(Cn2cnc(C(=O)N[C@@H]3CCc4c3ncn4C)c2)cnc(N2CC3CC3C2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWWJGLSDNLGBOT-WIXQSORDSA-N", "SMILES:Cc1c(Cn2cc(C(=O)N[C@@H]3CCc4c3ncn4C)cn2)ccc(N2CC3CC3C2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIEYEOLNHMBEJX-AFMYVXGZSA-N", "SMILES:Cc1c(Cn2cnc(C(=O)N[C@@H]3CCc4c3ncn4C)c2)ccc(N2CC3CC3C2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZLVQSNMHFYIJD-AFMYVXGZSA-N", "SMILES:Cn1cnc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4CC4C3)cc2C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJULYHREPZHBLX-CTWPCTMYSA-N", "SMILES:Cn1cnc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)cc2C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYGQICGBMYRWNW-ONEGZZNKSA-N", "SMILES:O=C1Cc2cccc(c2)OC/C=C/COc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENORBCLSJFJMJ-OWOJBTEDSA-N", "SMILES:O=C1Cc2cccc(c2)OCC/C=C/CCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZSOYCKNVICQDK-OWOJBTEDSA-N", "SMILES:O=C1Cc2cccc(c2)OCCC/C=C/CCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTYGYFKMSWMABA-OWOJBTEDSA-N", "SMILES:O=C1Cc2cccc(c2)OCCCC/C=C/CCCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRUZTTQLYHLVGN-ONEGZZNKSA-N", "SMILES:O=C1Cc2ccc(cc2)OC/C=C/COc2ccc(cc2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIWCRZVOGSQORT-OWOJBTEDSA-N", "SMILES:O=C1Cc2ccc(cc2)OCC/C=C/CCOc2ccc(cc2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIAJBEDKPHBIHR-OWOJBTEDSA-N", "SMILES:O=C1Cc2ccc(cc2)OCCC/C=C/CCCOc2ccc(cc2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBSUZQZSXIKIQM-OWOJBTEDSA-N", "SMILES:O=C1Cc2ccc(cc2)OCCCC/C=C/CCCCOc2ccc(cc2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQOONWXJHQEJQ-UHFFFAOYSA-N", "SMILES:C=CCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4cccc(OCCC=C)c4)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSVGQKAATSWCOC-ONEGZZNKSA-N", "SMILES:O=C1Cc2cccc(c2)OC/C=C/COc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFQQSJCIINHYQE-OWOJBTEDSA-N", "SMILES:O=C1Cc2cccc(c2)OCC/C=C/CCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RECOJFDNPMLDHZ-OWOJBTEDSA-N", "SMILES:O=C1Cc2cccc(c2)OCCC/C=C/CCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWIVGQHUXKCVAJ-OWOJBTEDSA-N", "SMILES:O=C1Cc2ccccc2OCCCC/C=C/CCCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCUUQVCSPNQEV-OWOJBTEDSA-N", "SMILES:O=C1CC/C=C/CCC(=O)Nc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)NC(=O)Cc2cccc(c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZZWKJSVPUJSOY-HNQUOIGGSA-N", "SMILES:O=C1Cc2cccc(c2)OCC/C=C/CCCC(=O)Nc2nnc(s2)CCCCc2nnc(s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUHJEZRZGYYVKD-HNQUOIGGSA-N", "SMILES:O=C1CCc2cccc(c2)OCC/C=C/CCCC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEOFKVFJENYTHF-OWOJBTEDSA-N", "SMILES:O=C1CCc2cccc(c2)OCCCC/C=C/CCCC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJESMAVOFJCTMV-OWOJBTEDSA-N", "SMILES:O=C1CCCC/C=C/CCCCOc2cccc(c2)CCC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEDYRJGDKGOLCC-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(O)c1Cl)C(C1CCCC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKLONXSLTZQICC-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(O)c1Cl)CC1(c2ccccc2F)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWNPMUNKWNFAV-UHFFFAOYSA-N", "SMILES:Oc1cccc(CN(CC2(c3ccccc3F)CCCC2)c2ccccc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHKBFBEXPDXBA-UHFFFAOYSA-N", "SMILES:Oc1cccc(CN(CCCN2CCCCC2)CC2(c3ccccc3F)CCCC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMDWIFWLSEHHG-UHFFFAOYSA-N", "SMILES:Oc1cccc(CN(CCOCCN2CCCCC2)CC2(c3ccccc3F)CCCC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQTOSTBXZWCEEQ-UHFFFAOYSA-N", "SMILES:Oc1cccc(CN(CC2(c3ccccc3F)CCCC2)c2ccc(OCCN3CCCCC3)cc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLMGUUJNKEKCY-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(O)c1Cl)CC1(c2ccc(OCCN3CCCCC3)cc2F)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVRYCZYVQRFPI-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCn3cc(COCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)cc2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYIIUANAAMPROX-JJITVNRPSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCc2cn(CCOc3ccc(Cn4c(-c5ccc(O)cc5)c(C)c5cc(O)ccc54)cc3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFNURRJEDMUSML-GMXZWJQUSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCc2cn(CCOc3ccc(Cn4c(-c5ccc(O)cc5)c(C)c5cc(O)ccc54)cc3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNYZJMWZRGQJV-WDECSLQSSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCc2cn(CCOc3ccc(Cn4c(-c5ccc(O)cc5)c(C)c5cc(O)ccc54)cc3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYYKTWKDERPACN-FFDUFJBXSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)N2C[C@H](O)CC2C(=O)[C@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOCc2cn(CCOc3ccc(Cn4c(-c5ccc(O)cc5)c(C)c5cc(O)ccc54)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCWWNMMGAIOQTB-AUERFDFKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2cccc(OCCOCc3cn(CCOc4ccc(Cn5c(-c6ccc(O)cc6)c(C)c6cc(O)ccc65)cc4)nn3)c2)cs1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEEUOMSQXQPNAQ-CSBIJYFXSA-N", "SMILES:CN[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)COCCOCc2cn(CCOc3ccc(Cn4c(-c5ccc(O)cc5)c(C)c5cc(O)ccc54)cc3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKMNXKOYWLNIY-XRVIMFNNSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)COCc2cn(CCOc3ccc(N(Cc4cccc(O)c4Cl)CC4(c5ccccc5F)CCCC4)cc3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOOKGNDXFBQOTQ-YUFWIWHBSA-N", "SMILES:Cc1ncsc1-c1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)COCCOCc2cn(CCOc3ccc(N(Cc4cccc(O)c4Cl)CC4(c5ccccc5F)CCCC4)cc3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWDORHPLCZJMK-YMPSBWASSA-N", "SMILES:Cc1cccc(CN(CC2(c3ccccc3F)CCCC2)c2ccc(OCCn3cc(COCCOCCOCC(=O)N[C@@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)nn3)cc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAWSXVNEPMBDIL-ORZXESOZSA-N", "SMILES:Cc1cccc(CN(CC2(c3ccccc3F)CCCC2)c2ccc(OCCn3cc(COCCOc4cc(-c5scnc5C)ccc4CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC(=O)C4(F)CC4)C(C)(C)C)nn3)cc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKOGDKHHNDSAU-FIQOJKKOSA-N", "SMILES:Cc1cccc(CN(CC2(c3ccccc3F)CCCC2)c2ccc(OCCn3cc(COCCOCCOc4cc(-c5scnc5C)ccc4CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC(=O)C4(F)CC4)C(C)(C)C)nn3)cc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYULPDZVNQRPF-BDSADFTDSA-N", "SMILES:Cc1cccc(CN(CC2(c3ccccc3F)CCCC2)c2ccc(OCCn3cc(COCCOCCOCCOc4cc(-c5scnc5C)ccc4CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC(=O)C4(F)CC4)C(C)(C)C)nn3)cc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOOKGNDXFBQOTQ-UHAJSSBPSA-N", "SMILES:Cc1cccc(CN(CC2(c3ccccc3F)CCCC2)c2ccc(OCCn3cc(COCCOCC(=O)N[C@H](C(=O)N4C[C@@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)nn3)cc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLKMDMMLVIZJL-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNOOOMHQKQUFNR-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(=O)N2CCCCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGCZTGGPAWCKBQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(=O)N2CCCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPERIVLXDUIAKK-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=O)c1ccsc1NC(=O)c1coc(C(=O)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBXACXQRFJZTFF-UHFFFAOYSA-N", "SMILES:COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVFDYYCDQRPTN-UHFFFAOYSA-N", "SMILES:COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(=O)N2CCCCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRFUSMCQSGTBM-UHFFFAOYSA-N", "SMILES:O=C(Nc1sccc1C(=O)Nc1nccc(C(F)(F)F)n1)c1ccc(C(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISNBJLXHBBZKSL-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFUJJMVXDASVHY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C(=O)Nc2ccc(CN)cc2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZUMVYKZAXKLA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZESPRLFSCZTLW-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSLKONMQKCLMFU-UHFFFAOYSA-N", "SMILES:Cl.NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBHVGUCTQZKMZ-UHFFFAOYSA-N", "SMILES:Cl.NCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIHKGTSOGOIHCC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(O)c(C(=O)Nc3ccc(CN)cc3)ccc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDZXNVFIGLCRCS-UHFFFAOYSA-N", "SMILES:Cl.NCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZFYWWDASAKNPV-UHFFFAOYSA-N", "SMILES:Cc1ccc2ccc(C(=O)Nc3ccc(CN)cc3)c(O)c2c1.Cl"]}
{"name": "Kallikrein-11", "xref": ["CHEMBL.TARGET:CHEMBL3031"], "id": "UniProtKB:Q9UBX7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSHCFAIRVEIDX-UHFFFAOYSA-N", "SMILES:Cn1cc(SCC(=O)NCc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBWLTUWOBISKR-UHFFFAOYSA-N", "SMILES:Cn1cc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATJLFWUPTQUWHM-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(CNC(=O)CSc2cn(C)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWSJHHADNHGQN-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)CSc1cn(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDVVVCKJTOJTHY-UHFFFAOYSA-N", "SMILES:Cn1cc(SCC(=O)NCc2ccc(Cl)c(Cl)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARJDUBKCHQNJM-UHFFFAOYSA-N", "SMILES:O=C(CSc1c[nH]c2ccccc12)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZGFEDHUUMPKOQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQWPBPPGBRNDL-UHFFFAOYSA-N", "SMILES:O=C(CSc1c[nH]c2ccccc12)NCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVGELVYJSQGCG-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(CNC(=O)CSc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUCOTTOSWOLVMJ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)CSc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFLRTFFXWYKJJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN(C)C(=O)CSc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIDSDWKVJVRPHH-CYBMUJFWSA-N", "SMILES:C[C@@H](NC(=O)CSc1c[nH]c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPPSWBCFHWAKFZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)CSc1c[nH]c2cccc(Br)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIDSLNRVMMPVBZ-UHFFFAOYSA-N", "SMILES:O=C(CSc1c[nH]c2cccc(Br)c12)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNWCKZGIMVPZTN-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)CSc1c[nH]c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOSIAGRSMKNKPR-UHFFFAOYSA-N", "SMILES:O=C(CSc1c[nH]c2ccc(Br)cc12)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFTYIIQOFJNEV-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)CSc1c[nH]c2cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWGJPKYBWWKOU-UHFFFAOYSA-N", "SMILES:O=C(CSc1c[nH]c2cc(Br)ccc12)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPTRCMKGPYHAKR-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)CSc1c[nH]c2c(Br)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGPNFWSNPCMOIT-UHFFFAOYSA-N", "SMILES:O=C(CSc1c[nH]c2c(Br)cccc12)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJJVJYHBCURDRW-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)CSc1c[nH]c2c(-c3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGWZGZFZQICGA-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)CSc1c[nH]c2cccc(Br)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBHATAWWDVERR-UHFFFAOYSA-N", "SMILES:O=C(CSc1c[nH]c2cccc(Br)c12)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKETVOGYIZZFGR-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)CSc1c[nH]c2c(Br)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCDTESYHOZJIB-UHFFFAOYSA-N", "SMILES:O=C(CSc1c[nH]c2c(Br)cccc12)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFLGRDOGLYDFS-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1CN(OC)C(=O)CSc1c[nH]c2cccc(Br)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGVTHXNAGEYRW-AATRIKPKSA-N", "SMILES:CCOC(=O)/C=C/c1ccncc1-c1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKGJJTSZXIWJEW-MDZDMXLPSA-N", "SMILES:CCOC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVQSGXLKJJLML-BQYQJAHWSA-N", "SMILES:O=C(O)/C=C/c1ccncc1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHRDLUODNGVQE-GQCTYLIASA-N", "SMILES:CNC(=O)/C=C/c1ccncc1-c1ccc2c(cnn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLGNRADTHIFLIA-HWKANZROSA-N", "SMILES:CNC(=O)/C=C/c1ccncc1-c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPLDIFPCQZHJLG-GQCTYLIASA-N", "SMILES:CNC(=O)/C=C/c1ccncc1-c1ccc2c(ccn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLQKPCPZDVPGAD-ONEGZZNKSA-N", "SMILES:O=C(/C=C/c1ccncc1-c1ccc2cc[nH]c2c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVIGYYOJLHHHKZ-SNAWJCMRSA-N", "SMILES:CNC(=O)/C=C/c1ccncc1-c1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGBZTPDEDMCTE-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1ccncc1-c1ccc2ccccc2c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCAIQGKZSEZJE-CMDGGOBGSA-N", "SMILES:CNC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNXWCQZYRHKCS-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccncc1-c1ccc2ccccc2c1)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYJQOHOOKGKTA-CMDGGOBGSA-N", "SMILES:COC1CN(C(=O)/C=C/c2ccncc2-c2ccc3ccccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCRYAJLEMHYRPQ-CMDGGOBGSA-N", "SMILES:CN1CCN(C(=O)/C=C/c2ccncc2-c2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLOJEEJKHZKUMN-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNC(=O)c3ccco3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBDJYIYEQPKCK-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNC(=O)c3cccs3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIJDLQRCPAOBEG-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNC(=O)c3cc4ccccc4o3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGEPVTBMRIREBP-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)NCCc2c[nH]c3c2C(=O)C2=C(C3=O)c3c(C)ccc(OC)c3CC23C(=O)N(C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMIWRDPLGVPSDI-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNC(=O)Cc3cccc(C(F)(F)F)c3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEFUMYKSZGANAP-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNC(=O)c3ccccc3Br)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBNSIAPQXLBFJR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCCc2c[nH]c3c2C(=O)C2=C(C3=O)c3c(C)ccc(OC)c3CC23C(=O)N(C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBHZCBQIFNSPP-ACCUITESSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNC(=O)/C=C/c3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPRGWPJGUQSCQB-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3ccc4ccccc4c3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJKKLZSGUYZYCO-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3ccc(-c4ccccc4)cc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHGYOMVRBLMTRH-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3cccs3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFMHOAYKQANOIK-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3cc4ccccc4s3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUZUOZAZAFUMO-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCCc3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXFTAXNIPMGIG-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3cc(F)cc(F)c3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBQQMITWZOEKNP-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3ccc(C)c(C)c3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSXFISRVGSLSQZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3cccc(OC)c3OC)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUJTYYSDKQNHNQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3cc(OC)c(OC)c(OC)c3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZAUDEWYRPGEGE-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUYMXSBPPJWEGG-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCC(C)(C)C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLLFKJYJJKUOBY-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCN(C)C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCUSJLUUSHNIOK-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(CNCCc2c[nH]c3c2C(=O)C2=C(C3=O)c3c(C)ccc(OC)c3CC23C(=O)N(C)C(=O)N3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEOSEOBMZSYRS-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3ccc(C(F)(F)F)cc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUMCFGJOXOUBV-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNC(=O)OC(C)(C)C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJZPHHMDWDCERL-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNC(=O)c3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMTMGZMKBXOADO-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3cccc(Cl)c3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEIODWUCCZANRT-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3ccccc3Br)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNXWKRLCNNMEC-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3ccccc3C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVBVBAVUCSWGA-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNCc3ccc(C(C)(C)C)cc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UREFFTTVFVBBOJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c2c1CC1(C(=O)N(C)C(=O)N1C)C1=C2C(=O)c2[nH]cc(CCNC(=O)c3ccccn3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468547", "category": ["biolink:ChemicalEntity"], "name": "EXIGUAMINE A", "xref": ["InChIKey:UEKKREMMIOJMRO-VWLOTQADSA-O", "SMILES:CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)CC[N+]4(C)C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4848326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWQBCKDJZBDIR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(Nc3nccc(N4CCCCC4)n3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQUQPGKVRWOAN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12"]}
{"name": "Pannexin-1", "xref": ["CHEMBL.TARGET:CHEMBL4879520"], "id": "UniProtKB:Q9JIP4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZBAFQJIZCIMPI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYPROFJDKIRHJB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(CCc2ccccc2)c2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AANFJMVGWPPZDX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMWXMIEFDONBW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(CCCc2ccccc2)c2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJHMPCGGVMMRE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGIWTHVPKCZIS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(CCCCc2ccccc2)c2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QILIZFYNZSRWAX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1CCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNGZYNPCBVTJM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cn2cc(C(=O)O)c3cc([N+](=O)[O-])ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGPYVZYECTZCO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cn2c(C(=O)O)cc3cc([N+](=O)[O-])ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFEWIDZIGUWDAA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CCn2cc(C(=O)O)c3cc([N+](=O)[O-])ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQSLLWSVHFSPM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(S(=O)(=O)NCc3ccccc3)ccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWTUOPCNNHADFX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKPHBNKCYUTESL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(S(=O)(=O)NCCc3ccccc3)ccc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFUBGTOUJNVROE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMRNCSPUPAJXEW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZDIXFXKVDTFJW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cn2c(C(=O)O)cc3cc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPBANDVIGKANIW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)cc(C(=O)O)n3Cc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANCNKCDCTFVWTI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CN(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc3c(c2)cc(C(=O)O)n3Cc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3184128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGHZXLIDFTYFHQ-UHFFFAOYSA-L", "SMILES:CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2S(=O)(=O)[O-])cc1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZUJGHPCQSCHE-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGLLPXIGVHKLST-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccccc2F)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIIFHVXEAJWDFO-UHFFFAOYSA-N", "SMILES:O=C(CC1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2cc(-c3cccnc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYMTRSJCXHXCH-UHFFFAOYSA-N", "SMILES:O=C(CC1CCN(Cc2ccccc2F)CC1)Nc1n[nH]c2cc(-c3cccnc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXMOKZNUJCRTEO-UHFFFAOYSA-N", "SMILES:O=C(CC1CCN(Cc2ccc(F)cc2)CC1)Nc1n[nH]c2cc(-c3cccnc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQXUZVAZCVIHFU-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccccc2)CC1)c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGIGQPTXXJMDY-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccccc2F)CC1)c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEUNJQULSSTRRQ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2cccc(F)c2)CC1)c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZIUKYUXSWKSDB-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEPQURVBGQIEL-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJKRYQIWPFOOG-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHSNOGOBQIARBJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCC(CNC(=O)c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLCKIAHVMTJTH-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCC(CNC(=O)c3cncc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKIJTFYGLUKRHX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTSXUHNDBYUKW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(C(=O)NC2CCN(Cc3cccc(Cl)c3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRZTVNBEPEBSU-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2cccc(Cl)c2)CC1)c1cncc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPUWPDSUZHELW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(OCC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLNKOYUKDZZJOW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(OCC2CCN(Cc3ccccc3F)CC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNKUUJYZUJYJRR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(OCC2CCN(Cc3ccc(F)cc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHKJGRQXQMNEA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(OCC2CCN(Cc3ccccc3Cl)CC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGURROANDGIDJI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(C(=O)Nc2cncc(OCC3CCN(Cc4ccc(F)cc4)CC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDZCXRWZBSWSC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OCC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSPMQWZEIHVDM-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)c1cncc(NC(=O)c2ccnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBJELZIHSQSHL-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(NC(=O)c2ccnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUKLTKQLXYSPFO-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cncc(NC(=O)c2ccnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTIXCYUTHPYLGJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(OCC2CCN(Cc3ccccc3)CC2)c1)c1ccnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJZXTHCOSALHRW-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(CNC(=O)c3cncc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSBLBSUQGBVNW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(OC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPPYZZZXSKUJLA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(C(=O)Nc2cccc(OCC3CCN(Cc4ccccc4)CC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZBYTMSMMUXKLO-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]ccc12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNKSPVYUCOQQE-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]ncc12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVUHWTQSRAWHLX-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2nc(Nc3ccc4c(c3)CC(=O)N4)nc(NCc3cccnc3N(C)S(C)(=O)=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJFSLXYQIMUPD-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NCc3cccnc3N(C)S(C)(=O)=O)nc(Nc3ccc4c(c3)CC(=O)N4)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNKQCOYKDFCDF-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]cc(F)c12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSOFPPXMGRPEAY-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]cc(Cl)c12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCGUNTKJDNPPOG-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]cc(C#N)c12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCDTXOODWTWGQL-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccccc2)nc2[nH]cc(F)c12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCHCBXMIXKWBPW-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc(F)cc2)nc2[nH]cc(F)c12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPRZEGWDRRKGCO-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc(F)c(Cl)c2)nc2[nH]cc(F)c12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUDTOTYKQGCHM-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2cccc(C#N)c2)nc2[nH]cc(F)c12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTTHBSPUTUTJDR-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(NCc3cccnc3N(C)S(C)(=O)=O)c3c(F)c[nH]c3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNSJJGEWBTIPQ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(NCc3cccnc3N(C)S(C)(=O)=O)c3c(F)c[nH]c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECVGCSHVTZBDE-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(NCc3cccnc3N(C)S(C)(=O)=O)c3c(F)c[nH]c3n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGQQYPOPYXYMS-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2cccc(CN)c2)nc2[nH]cc(F)c12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBLRTDCUSXBBCT-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1cccc(Nc2nc(NCc3cccnc3N(C)S(C)(=O)=O)c3c(F)c[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQPQZBNTSLSQHG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2nc(NCc3cccnc3N(C)S(C)(=O)=O)c3c(F)c[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDXUZMBEMBLPTQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(NCc4cccnc4N(C)S(C)(=O)=O)c4c(F)c[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQYJJSABQNZTF-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc(N3CCOCC3)cc2)nc2[nH]cc(F)c12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWVCGBBXYZAKV-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(NCc2cccnc2N(C)S(C)(=O)=O)c2c(F)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZJDVLABFTIAQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]cc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPSBMYWBYCWLCQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CNC(C)=O)c2)nc2[nH]cc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHMISZALUDPSY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2cccc(NC(C)=O)c2)nc2[nH]cc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDBZILIDBKGSJP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2[nH]cc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLOCGENGHUXYHT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPHCNLPTWCGOEF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NO)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSQVFZPYARKXRI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccccc1Nc1nc(Nc2ccc(CN3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRAMSBNOLWXIRV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccccc1Nc1nc(Nc2ccc(OCCN3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGIUPZSSPXULHZ-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NO)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQGAZZCACDPPO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccccc1Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPRANXAOQIWXKA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNHYVUEDYMASN-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)Nc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)NO)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKFDSEDBYUIPLP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(C(=O)NO)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNAYNQWGHVWOQT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(C(=O)NO)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKXJEPQZWCHCF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(OCCCN3CCC(C(=O)NO)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNUJHZDYQHNMT-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)NO)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFCJTJDNKRXDRB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVXGVTWJVDQPK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCUHRIIUCIMLP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CN3CCOCC3)c(C)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKFKXJQIJJTROS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2cccc(F)c2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGNNPMOXBDNQEI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccc(F)cc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSORXAVNXXOKO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccc(F)c(F)c2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMMLPWRTCLPOY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2cccc(O)c2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMNISDCWCSJII-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccc(O)cc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUQPJCCNYOZZLR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2cccc(OC(F)(F)F)c2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDTVBLLXEMGRBM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccc(OC(F)(F)F)cc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOXQXPKEMFRZPC-UHFFFAOYSA-N", "SMILES:COc1cccc(Sc2ccc(C(=O)C3CCN(C(=O)c4cccc(O)c4)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAVFVFOZAITQOY-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2ccc(C(=O)C3CCN(C(=O)c4cccc(O)c4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYBLUKZXBUDTAV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2cccc(C(F)(F)F)c2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRHTIMLHZZYIJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccc(C(F)(F)F)cc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKAQUNGIGQUFCS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2cccc(Cl)c2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYHXPJNYGXYAFN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccc(Cl)cc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFEQIQIBPSOXMI-UHFFFAOYSA-N", "SMILES:Cc1cccc(Sc2ccc(C(=O)C3CCN(C(=O)c4cccc(O)c4)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPZDPDZKKDUSCW-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccc(C(=O)C3CCN(C(=O)c4cccc(O)c4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXAVSEDRFGCUAY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2cccc(C(F)(F)F)c2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPJOMRWQMCFNU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2cccc(Cl)c2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUIUHJOWKQIHBN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2cccc(OC(F)(F)F)c2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQKAXADDLDHJAJ-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C3CCOCC3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNDVATIEYUOHIZ-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCN)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVXYYWORFYROCX-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CCCN)cc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKMASWBFXJDID-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C3CCN(C)CC3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDIHXTGBZAYDNY-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C3CCC(O)CC3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVLAVFWECSPOMI-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)CC3CCOCC3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAVJRMICJNPOSB-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)CCCCO)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTPFJGRCKOYJBW-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C(N)C(C)C)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSJDXKXMPIJJT-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)c3ccc(C(=O)N(C)C)cc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKASGPAJFIOSGT-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)c3ccc(C(=O)N4CCOCC4)cc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKNBJKQSMQVYLP-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULYZOXPTGWTZKW-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)O)nn3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYDEUSEBPMHIF-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N(C)C)nn3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBPMDBKPPQYRLH-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDPERRTFWPQQI-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NC4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQQCBBDWEBSYPT-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NC4CCN(C)CC4)nn3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTAUAHHFUFKAG-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NCCCN4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODAHPVIJSAJSJC-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N4CCN(C)CC4)nn3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBIZPYPVRMOAF-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NCCN4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXWUOCLGQOCFF-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMVQTQJEPRFHFC-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)O)cc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHLFPRXEUVIDJ-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQCCHJGHPVLGRW-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLXSSKXBCOHTGP-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CCN(C)CC4)cc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISZJFLIDMRJLNB-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CCOCC4)cc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZKSQRIPRKWVBU-MHZLTWQESA-N", "SMILES:CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1609857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOGZFCMBPXJNFI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWIPJYLVLXRQV-COIJTRFSSA-N", "SMILES:COC(=O)c1ccccc1-n1cc(CO[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](Sc3ccc(C)cc3)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUMOXMMNIFGCGZ-COIJTRFSSA-N", "SMILES:COC(=O)c1cccc(-n2cc(CO[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](Sc4ccc(C)cc4)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEGTPFKAXQRSB-COIJTRFSSA-N", "SMILES:COC(=O)c1ccc(-n2cc(CO[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](Sc4ccc(C)cc4)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZCCTPOJWBDIEJ-RIUYPTKQSA-N", "SMILES:COC(=O)c1ccccc1-n1cc(CO[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZETYPXBXJDZCW-RIUYPTKQSA-N", "SMILES:COC(=O)c1cccc(-n2cc(CO[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]3O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWAUJWQJMNLHFZ-YBNCXLCVSA-N", "SMILES:Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cn(-c4ccccc4C(=O)O)nn3)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHYWGBVDHFIIM-YBNCXLCVSA-N", "SMILES:Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cn(-c4cccc(C(=O)O)c4)nn3)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBTWFPFCJWCSX-YBNCXLCVSA-N", "SMILES:Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cn(-c4ccc(C(=O)O)cc4)nn3)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOUCYDITYYHOIP-LBKYZSNHSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(-c3cccc(C(=O)O)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXUSYCPVARTKD-LBKYZSNHSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(-c3ccc(C(=O)O)cc3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDLARODXSABGKT-MYBUGEPTSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2nc3ccccc3[nH]2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYBLWAOVYCFPX-MBEZOWKRSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2nc3ccccc3n2C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYXGGRKBGDKXII-OBZOPLTCSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2nc3ccccc3s2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRATVBIQZWHHDF-MYBUGEPTSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2nc3ccccc3o2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRKPVQSHTIOMEN-JLPXDJIOSA-N", "SMILES:COC(=O)c1ccc2nc(CO[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]3O)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEMWLTQCKAPTNV-LXJHJBAVSA-N", "SMILES:CCOC(=O)c1ccc2c(c1)nc(CO[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]1O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKAVLNRMPZVWBO-MOVJQLJTSA-N", "SMILES:COC(=O)c1ccc2nc(CO[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]3O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENKMNPYYCDLKP-MOVJQLJTSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2nc3ccc(C(=O)O)cc3n2C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTARSASDRNDJSE-QPVMMRRFSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2nc3ccc(C(=O)O)cc3[nH]2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULXYWOSGYPHZDE-RMMBEPAUSA-N", "SMILES:O=C(O)c1ccc2nc(CO[C@@H]3[C@@H](O)[C@@H](Sc4ccc(Cl)c(Cl)c4)O[C@H](CO)[C@@H]3O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVGVNKWBXYLCS-RIUYPTKQSA-N", "SMILES:COC(=O)c1ccc(-n2cc(CO[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQHAOSYJBINEF-LBKYZSNHSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(-c3ccccc3C(=O)O)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSFVIAXMRRGKI-MOVJQLJTSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2nc3cc(C(=O)O)ccc3n2C)[C@H]1O"]}
{"name": "Galectin-7", "xref": ["CHEMBL.TARGET:CHEMBL5008"], "id": "UniProtKB:P47929", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQQUENXTSKMGBB-HVJVJISESA-N", "SMILES:O=C(O)c1ccc2ccc(CO[C@@H]3[C@@H](O)[C@@H](Sc4ccc(Cl)c(Cl)c4)O[C@H](CO)[C@@H]3O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHGJGZXJXQZKNI-BPKGMFCQSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccc3ccccc3n2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBYVIVUJQDGTKI-RIUYPTKQSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccc3ccc(C(=O)O)cc3n2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQOWVAQFOQHAFL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nccc(-c2c(-c3cccc(OCc4ccccc4)c3)nc3sccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWCIKMLGHHTGHO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nccc(-c2c(-c3cccc(OCc4ccc(F)cc4)c3)nc3sccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFYUJHVBXYBEI-UHFFFAOYSA-N", "SMILES:c1ccc(COc2cccc(-c3nc4sccn4c3-c3ccncn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVUUTKOJOSJTMT-IWPPFLRJSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCDYNGLJIDIKMB-IWPPFLRJSA-N", "SMILES:O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMWGLKFLFFNTO-MJTSIZKDSA-N", "SMILES:CC(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHNCXOXILPAFCE-IWPPFLRJSA-N", "SMILES:CC(C)C(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMBIBRVQSWUFDI-IWPPFLRJSA-N", "SMILES:CC(C)(C)C(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGRPMWZZLLDJS-FKSKYRLFSA-N", "SMILES:O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJPWONRDUJJFO-FKSKYRLFSA-N", "SMILES:O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOHSQQBXCQXGNM-FKSKYRLFSA-N", "SMILES:O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHOKRAJFLHTEIZ-ADRQNKRLSA-N", "SMILES:O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCGMNBOPOPCSJ-ADRQNKRLSA-N", "SMILES:O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKDAQLVUPFYTOR-BPNWFJGMSA-N", "SMILES:COc1ccccc1C(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCJVVCOSVDSLPV-QFADGXAASA-N", "SMILES:COc1cccc(C(=O)N[C@@H]2CCN(C(c3ccncc3)c3cc4c(cc3O)OCO4)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUGXNSBAQCTKW-OEPVSBQMSA-N", "SMILES:CCOc1ccc(C(=O)N[C@@H]2CCN(C(c3ccncc3)c3cc4c(cc3O)OCO4)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJHGOAYXSLVRJ-YDONVPIESA-N", "SMILES:CCOc1ccccc1C(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEIMTWCIADEKRW-YXWRBFHGSA-N", "SMILES:O=C(NC[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCDYNGLJIDIKMB-OOJLDXBWSA-N", "SMILES:O=C(N[C@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTRMFHOXIWUONT-QMRFKDRMSA-N", "SMILES:O=S(=O)(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTVGERPUUZRQQX-IWPPFLRJSA-N", "SMILES:CC(C)(C)NC(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAUICIGWPTPHO-IWPPFLRJSA-N", "SMILES:CC(C)(C)NC(=S)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXGEKZITICOSU-IWPPFLRJSA-N", "SMILES:O=C(O[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDATXUHLRXROQB-QMRFKDRMSA-N", "SMILES:O=C(NC1CC1)[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYIYGPCRSVVLT-MJTSIZKDSA-N", "SMILES:CN(C)[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHCFRLYYAHKBST-UJONTBEJSA-N", "SMILES:CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLMDPGAJDVTMTI-UJONTBEJSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OC(C)(C)O3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHVLXRHAPQPGIV-UJONTBEJSA-N", "SMILES:COc1cc(O)c(C(c2ccncc2)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHXDYZAMIRYNGR-QRIPLOBPSA-N", "SMILES:COc1ccc(C(c2ccncc2)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZHDFNUEKARTH-QRIPLOBPSA-N", "SMILES:COc1ccc(OC)c(C(c2ccncc2)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYVCLCDYSRCTI-MJTSIZKDSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cncnc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZJGCOQAVGTEX-BSOCMFCZSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cnccn2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXOSWZKFFCTJIG-CKAQCJTGSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cc3c(cc2O)OCO3)c2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPHCXNGDVWQSAV-UJONTBEJSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(F)cc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADPYYSAIXIPJN-CKAQCJTGSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cc3c(cc2O)OCO3)c2ccc(Cl)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJRYQAKNTUXDEV-CKAQCJTGSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cc3c(cc2O)OCO3)c2ccc(F)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZTLZOQDAOWXFV-PLEWWHCXSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(C#N)cc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHZFNZOSLMKCCA-XESZBRCGSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(C#N)c(F)c2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCEJFFCZTZUGMN-JGHKVMFLSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cc3c(cc2O)OCO3)c2ccc(C#N)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFIDHEGPLCPOCD-ADRQNKRLSA-N", "SMILES:COc1cc(C#N)ccc1C(c1cc2c(cc1O)OCO2)N1CC[C@@H](NC(=O)OC(C)(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUAHNSUAWQMZBX-PLEWWHCXSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cccc(C#N)c2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHGKEERMTUPLRE-PLEWWHCXSA-N", "SMILES:COC(=O)c1ccc(C(c2cc3c(cc2O)OCO3)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXNHJMKLGSKBT-PLEWWHCXSA-N", "SMILES:COC(=O)c1cccc(C(c2cc3c(cc2O)OCO3)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNSSCGYDBMHIAO-BSOCMFCZSA-N", "SMILES:Cn1nccc1C(c1cc2c(cc1O)OCO2)N1CC[C@@H](NC(=O)OC(C)(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRWCEHVUOVABGY-RBFZIWAESA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(C#N)cn2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPXFMMPOTSJLPY-YAOANENCSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cc3c(cc2O)OCO3)c2ccnc3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMKHMAZNAYZVDJ-OSMGYRLQSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-c3ccncc3)cc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRQGUJTOCNBJM-OSMGYRLQSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-c3cccnc3)cc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOHIKOGCIIDIJS-TUHVGIAZSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-c3ccccn3)cc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOKBTTFZGVNERJ-LIXIDFRTSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-n3cncn3)cc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZKRGDLDSZFPAF-OEPVSBQMSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-n3cccc3)cc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQAVVJMLPDMAFP-OEPVSBQMSA-N", "SMILES:Cc1nccn1-c1ccc(C(c2cc3c(cc2O)OCO3)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGNCFGOLALHFJ-QFADGXAASA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cccc(-n3ccnc3)c2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBAWRMMTJYHEW-OEPVSBQMSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-c3ccncc3)cn2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWRORLOCPSNPQL-OEPVSBQMSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-c3ccncc3)nc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYAYKBERKMFAS-OSMGYRLQSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cccc(-c3cccnc3)c2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSSHQRSEFMMKRO-OSMGYRLQSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cccc(-c3ccncc3)c2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLSVHKHGYKKOJ-TUHVGIAZSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cccc(-c3ccccn3)c2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQUZABOEIFVHC-MTATWXBHSA-N", "SMILES:N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1"]}
{"name": "Lysine-specific demethylase 6A", "xref": ["CHEMBL.TARGET:CHEMBL2069164"], "id": "UniProtKB:O15550", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIRSAIIBSBCBTF-UHFFFAOYSA-N", "SMILES:Cc1nn2c(nc(O)c3cccnc32)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1982368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHHFKWKMXWRVTJ-OQKWZONESA-N", "SMILES:Clc1ccc(N/N=C(\\c2ccccc2)c2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZLEHLAIFVMEQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(CN2CCN(c3nnc(Nc4ccc(N5CCOCC5)cc4)c4ccccc34)CC2)c1"]}
{"name": "Mothers against decapentaplegic homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL4523335"], "id": "UniProtKB:Q62432", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXWQHXHIBLUZLB-UHFFFAOYSA-N", "SMILES:CC1COCCN1c1ccc(Nc2nnc(N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCIXVGYFKHBKT-AATRIKPKSA-N", "SMILES:CC(C)=CCc1c(O)ccc(C(=O)Oc2cc(/C=C/c3ccc(O)cc3O)cc(O)c2-c2cc(C)cc(-c3ccc(O)cc3O)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSUPUGBIVLYGH-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)ccc(C(=O)Oc2cc(-c3cc4ccc(O)cc4o3)cc(O)c2-c2cc(C)cc(-c3ccc(O)cc3O)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYACESOOBONJR-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2CC=C(C)C)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTAGBBXWIEELZ-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2CC=C(C)C)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSJHWXFIQIJOP-VXLYETTFSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BASBFHDPMLTNPF-QGZVFWFLSA-N", "SMILES:CC(C)=C[C@H]1Oc2cc(O)ccc2-c2oc3cc(O)ccc3c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018876", "category": ["biolink:ChemicalEntity"], "name": "MORACIN C", "xref": ["InChIKey:ZTGHWUWBQNCCOH-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4864358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBGSRJBKOKUOOJ-KOHCOPRQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N3)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMYWKECNUSJORS-YYQNYBCISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)O)[C@@H](C)CC)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CO)C(=O)N3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUXOFCQWUJROPU-UFRJJSLPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)O)[C@@H](C)CC)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CO)C(=O)N3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXTXODTHHVOTR-WBFXBMQQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)O)[C@@H](C)CC)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CO)C(=O)N3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMOHNHZGTKZCJN-WIPMTBMDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)O)[C@@H](C)CC)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CO)C(=O)N3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMHHFRBJJNSCO-ZCKUPXMJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N3)NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVHZUQGYBMICH-LORAGRMGSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYRGAIFEGZPLY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc3nc(-c4ccc5cc[nH]c5c4)oc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MALBJLVKHLTIRS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc3nc(-c4cccs4)oc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCCIAMHJSFZSAF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc3nc(-c4ccco4)oc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FILYSNGGEXLHEI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccccc3)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWKTQORTSBTPJ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVNDROMYSCCSPV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccncc3)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTNQVVLJAFHQP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLRGNFKVMOMMNM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(O)cc3)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHFZIPPFCYNBIV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRIBQLKZODPSSD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccccc3OC(F)(F)F)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUCVVZGGGGDPMN-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHSDIPPODRKHLI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3Cl)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJHZLCGWRBYOL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNFLVDYPEOOAAE-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRIWIBYSSAROFY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(F)c(Cl)c3)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKBQJDMUVHWBMU-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1OCc1[nH]c2nc(-c3ccccc3)nn2c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZQWDYXMBAUNZ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1ccccc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCBZFOQHODYOB-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(F)cc2C)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLHPMCYJAWIQT-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(F)cc2)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXVLNQNDKOHZKQ-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2F)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPFNLVDEBHYLSD-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2Cl)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASOSXAGNPCAOHM-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2C(F)(F)F)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUFVSPSKAPGPPV-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2C)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYYLXZATUSSII-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPXDZTQBVWBVLC-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2C(C)C)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKSMBTCUMUQXHS-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccccc2O)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAAMZKGAFWSTEB-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(F)cc2F)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOCTJLIWVAJNR-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(F)cc2Cl)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBWUUASDAUHAT-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(F)c(Cl)c2)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEUBSNYCODCOT-UHFFFAOYSA-N", "SMILES:COc1c(-c2cccc(Cl)c2F)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXLMIGEMGUUNT-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(Cl)ccc2Cl)cc(S(=O)(=O)Nc2ccc(F)c(CC(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQVXPBOVNCAAO-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(F)cc2C)cc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUNHKOCOXRQNLM-LEWJYISDSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHHCIRJUIDNYFH-IZZNHLLZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPMDMDROJOGDRW-IZZNHLLZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUUMJPDLULEIGC-FCHUYYIVSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEOQYPYRTJXVNX-FCHUYYIVSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWMLYNOSZRGOH-BJKOFHAPSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)N(C)CC)cc(CCCCC)cc1OC(=O)N(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZLKICCGDPKVAX-IZZNHLLZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)N2CCCC2)cc(CCCCC)cc1OC(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFUJAVCOKRFKCQ-IZZNHLLZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)N2CCOCC2)cc(CCCCC)cc1OC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASYFMSICPWIMEW-IZZNHLLZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHLSEWKDCGFEGX-SZAHLOSFSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)N(C)Cc2ccccc2)cc(CCCCC)cc1OC(=O)N(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVIPEZCTQKARBD-VQTJNVASSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHCRVTANKSUIFF-FCHUYYIVSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJFFEVWMLPQQD-XZOQPEGZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVZALTFJTVNFPC-IZZNHLLZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEAWAIPAYYTHU-IZZNHLLZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADYBAPQENREYTO-IZZNHLLZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTQXVAFWPNDIC-IZZNHLLZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPGLYCXWOQBRR-ODOXVIPUSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc1ccccc1)CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPGLYCXWOQBRR-NUZAFHTASA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C(/F)S(=O)(=O)Oc1ccccc1)CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCMFCUAXRGEYQU-SARUODQOSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc1ccccc1)CCc1ccccc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWBACCMXSVURC-XGNJWNESSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWPGRJIMHKDGDB-VFCIBZHASA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)c2ccc3c(c2)OCCO3)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIKVNSQPXRVNMZ-TUXQBMJVSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFTWZIICBFJKLY-XGNJWNESSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHZQDUWRBPLIN-VFCIBZHASA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccc3c(c2)OCCO3)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJWCZRRRUDGTSI-TUXQBMJVSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IESWWMUGPAHIGF-DZZDTHTOSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc1ccccc1)CCc1ccccc1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPQDMXJCANAIK-OXGCXKMZSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRNVIXNTQNQATR-MIYPDSIASA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc1ccccc1)CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANMQQMXZMSBEO-NYXDYSMTSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc1ccccc1)CCc1ccccc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVBFVGWHHSZDII-JVCDURNESA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc1ccccc1)CCc1ccccc1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAKRFJOZPXSONL-IMRRCPQVSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc2ccccc2)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDSBUPCTOYGAS-JUTMOGOBSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)c2ccc3c(c2)OCCO3)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc2ccccc2)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMUZDQLWHGQRH-OYSXGLALSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc2ccccc2)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNSFGVHSJHQMY-IMRRCPQVSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc2ccccc2)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USRKVSZJSIKHQI-JUTMOGOBSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccc3c(c2)OCCO3)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc2ccccc2)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQROSDSABTGMM-OYSXGLALSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc2ccccc2)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZGWSBGPIBEQD-BIEUXEHQSA-N", "SMILES:O=C(N[C@H](/C=C(\\F)S(=O)(=O)Oc1ccccc1)CCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGKPCGHCYQCLEU-KOUGTPQRSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@H](/C=C/S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXBOFZDGJIYVHK-KOUGTPQRSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)c2cc[n+]([O-])cc2)C(=O)N[C@H](/C=C/S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCCYGXXFOZVVEA-PRDUXHJTSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWLPNEGYDCGEDN-TUXQBMJVSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c2ccccc2)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHJKNONKYKGBK-XGNJWNESSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c2ccccc2)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOXNYRQGTCDENC-VFCIBZHASA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccc3c(c2)OCCO3)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c2ccccc2)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRVZJAHEACFROL-TUXQBMJVSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c2ccccc2)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBHYQAVSSHIJNV-RZWMOZEYSA-N", "SMILES:CSCC[C@@H](/C=C(\\F)S(=O)(=O)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBUMLZMOKIPLL-ODOXVIPUSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQZBPLUMPEIJD-OXGCXKMZSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRSBDEIZBPKIFF-SHTZXODSSA-N", "SMILES:Cc1ncc(-c2nc(-c3cc(S(=O)(=O)N[C@H]4CC[C@H](O)CC4)ccc3C)cnc2N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOGAKBGRRKZPL-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2nc(-c3cc(S(=O)(=O)NC4CCC(F)(F)CC4)ccc3C)cnc2N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJLCSHAJFXTJCY-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2nc(-c3cc(S(=O)(=O)NCCCO)ccc3C)cnc2N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNUMAOLJXQNNC-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2nc(-c3cc(S(=O)(=O)NCCC(C)(C)O)ccc3C)cnc2N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRFQVURAQJNGW-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2nc(-c3cc(S(=O)(=O)NCCO)ccc3C)cnc2N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVMJVCYGUPZPC-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2nc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUWYVIIEWCTLD-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cnn(C)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXZUMKQCVPUBW-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-n2cncn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRRISSZIWWELB-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2nc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYAJXNDPUHQQND-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCKQIDIXDOCRCK-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cn(C)nc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTFXPVMZMFKFT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2nn(C)nc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXHGWQUDVMRJX-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBMKGRHRGCAQDY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-n2cncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWIAVPLXUYCRU-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNUWOQIJVIGMO-UHFFFAOYSA-N", "SMILES:Cc1cnn(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUGWFIXWGKIEGR-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cnn(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQANQPNKNGASN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cn(C)nc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCUAPUXZDWBUPG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cnn(C)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHNRIYOLFVBOLD-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCGQLKIVCCTNCG-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSOHQYOAVQLMP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQIUWUJYJBQZBY-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXUUDOHYGXJCDO-SHTZXODSSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)cc1-c1cnc(N)c(C(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2071342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQNJPBYOGNEQC-UHFFFAOYSA-N", "SMILES:CCn1nnc(CCNC(=O)Nc2nc(C)c(-c3ccc(S(C)(=O)=O)c(F)c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBPBCWVAXDEAL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGULJXADIPDFCJ-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(N3CCN(C)CC3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSSQOASCRSCRY-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(N3CCN(c4ccccc4)CC3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOIUNDNUQIOXFC-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(N3CCOCC3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWAMSQXPKXMSIO-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Oc3cccc4ccccc34)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQGVCOKNVYGFR-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Oc3ccc4ccccc4c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPFPDEHXABTLQP-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3ccc(OC)cc3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSNJOLIHHOQDHE-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3ccc4ccccc4c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSAGKUGLKDIPRR-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3ncccn3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2046727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZOVDRPXBJYCL-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3nncs3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGUXCOLWWBEDU-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3nnc(C)s3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHHHUDQQKZYEPM-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3cncs3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLGBHYLFRSOUIS-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3cncn3C)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQODWLCNCDNJDJ-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3nc[nH]n3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNSXWREWKLNDW-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3nnnn3-c3ccc(OC)cc3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQCAQCSOBTUCW-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3nnnn3-c3ccc(Br)cc3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCLOCSLAEGXQAI-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3nnnn3-c3ccc(Cl)cc3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVHLQKKCQKAWQV-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Sc3nc[nH]n3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CITXMJMDSSEKQS-UHFFFAOYSA-N", "SMILES:c1ccc2c(Sc3nc[nH]n3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXQILSJTYIDKJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Sc3nc[nH]n3)ncnc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMJBUNTGNFBQR-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Sc3nc[nH]n3)c2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMODKOXHOPAEX-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPKKZFMVVUYLN-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVUBHPXHMAYHMD-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSSYFCZUMLFKA-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(C(N)=O)c3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQEBFOWFZVGCIT-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCLXPZPWXVHTHD-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRNINAONBJTDPC-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVXRAXCGRKNLGM-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYTMAENHYAOVCR-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUQNUZQBBNSNY-GQCTYLIASA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(C(N)=O)c3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBANJOYTOZICHA-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGXVCQFVBEZFS-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOYNCDWRBALUGL-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHJQWPUYLXDST-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCTYPXGAICLRPE-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2F)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLFXFXOZHKJYEL-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHNFQYXCTFWGJB-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQKTKADQVOINM-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2F)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITPIUACWIPKHD-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)nc2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOVJARVFURIBS-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cn2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIUDEWMWRABUHW-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)nc2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJASOLAHUFAAPI-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cn2)nc2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCHBMCBPBRORW-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEZBEUBDCKYYAV-JLUUYQRVSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCOCCOCCOCCOc3cc4nccc(Nc5ccc6scnc6c5)c4cc3S(=O)(=O)C(C)(C)C)ccc2C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFYNUDSFURPMON-UONPKGOBSA-N", "SMILES:CC[C@@H](NC(=O)[C@@H]1C[C@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONXEAPSKLKEFI-YXNAAVGFSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSQOHDINOFSQK-SNSDZAOGSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCOCCOCCOCCOc3cc4ncnc(Nc5n[nH]c(C)c5C)c4cc3S(=O)(=O)C(C)(C)C)ccc2C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJZKHRNSISZEZ-QOCICEDNSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)COCCOCCOCCOCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYXDQQQBLUNSC-KMTFETDRSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)c2cnc(N3CCC(COc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZONKARGQSFPV-MHMDUVPPSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)c2cnc(N3CCC(CCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXDEXLMRWUCBV-XWPMHPDRSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)c2cnc(N3CCC(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZMQXNZSFFXKMT-LCPJFFRWSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)c2cnc(N3CCN(CCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHRWPFLLMDQARV-IWRLWGISSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)c2cnc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPGHKLADAVRJOJ-VYFIJJFHSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)c2ccc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQIGGIFOQEJNU-RTBFYXABSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)c2ccc(N3CCN(CCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSEDCMRCXJGJKD-YALDDLFZSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)c2ccc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCNBUCTKXJVDF-HRZLCWCKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)c2cnc(N3CCN(CCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCZVPTVGMPYKY-RTBFYXABSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)c2cnc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFQXTJGSUFWGF-DIQVDZIWSA-N", "SMILES:CN[C@H](C)C(=O)N[C@@H](C(=O)N1C[C@@H](NC(=O)c2cnc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)cn2)C[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHKPGCMTCWLDN-XLJSIVTLSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)cn2)CC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNBEZLJAQUZEX-AAJGASCFSA-N", "SMILES:CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2cnc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)cn2)C[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IODBOTCCGBUXBQ-KENLXIIISA-N", "SMILES:Cc1[nH]nc(Nc2ncnc3cc(OCCCN4CCN(C(=O)c5cnc(N6CCN(C[C@H]7CN[C@H](C)CN7CC(=O)N7CC(C)(C)c8ncc(Cc9ccc(F)cc9)cc87)[C@H](C)C6)nc5)CC4)c(S(=O)(=O)C(C)(C)C)cc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVFSVDGHDABFK-KENLXIIISA-N", "SMILES:Cc1[nH]nc(Nc2ncnc3cc(OCCCN4CCN(C(=O)c5cnc(N6CCN(C[C@H]7CN[C@H](C)CN7CC(=O)N7CC(C)(C)c8c7cc(Cc7ccc(F)cc7)c(=O)n8C)[C@H](C)C6)nc5)CC4)c(S(=O)(=O)C(C)(C)C)cc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTKOBYQNYXXQX-HJMHRPAMSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2cnc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)cn2)CC1C(=O)NC1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHKPGCMTCWLDN-WUESPYQBSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)cn2)CC[C@H]2CC[C@@H](C(=O)NC3CCCc4ccccc43)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVAOTFPNQVBDM-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c(=O)[nH]c1=O"]}
{"name": "Thymidylate kinase", "xref": ["CHEMBL.TARGET:CHEMBL2361"], "id": "UniProtKB:P9WKE1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRRWLAIGUKKJX-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4ccccc4)n3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLEFPHRANNVBDM-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cc(Oc4ccccc4)ccn3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKFUPFSZWFSHW-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cncc(Oc4ccccc4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEJIPPVFEDCWQJ-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3ccnc(Oc4ccccc4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORAVLQYJZOTXLQ-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHOQGLXXDCTLT-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4cccnc4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYDERZHNBKOHD-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4ccncc4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHBUDXKSDOMDL-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(OC4CCCC4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKZVVMUQSSKDF-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(OC4CCCCC4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESRTQMTSXIOII-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHEBHJSXHAZUIL-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cccc(CN3CCC(n4cc(C)c(=O)[nH]c4=O)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKIRSINLVWIOO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2cccc(CN3CCC(n4cc(C)c(=O)[nH]c4=O)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVDJUHVCWKGDB-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)c(Cl)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRJHYGUJISWRJE-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4cccc(Cl)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEUQBKXFERTJQH-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2cccc(CN3CCC(n4cc(C)c(=O)[nH]c4=O)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNOABUNGWCACQ-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4cccc(F)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCTVTOQDWGJTAI-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4cccc(O)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMHBKMYSXGDQEQ-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2cccc(CN3CCC(n4cc(C)c(=O)[nH]c4=O)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSMPZVBTTHBVTH-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)c(C(F)(F)F)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTLZKLNPKCECTO-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4ccc(F)c(F)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKLGGWPQRCUEKF-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVMPRXAQYSPHHD-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4cccc(OC(F)(F)F)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJAIKQLVPYCOI-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUSIDBPOVDOPQ-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4cc(F)cc(F)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLDIUVTWIXKUGA-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHUNDWYBUZVIC-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4ccc(O)cc4)n3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEEHBISYPBIBJH-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4ccccc4C(=O)O)n3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSFWDCSGRONNR-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cccc(Oc4cccc(Cl)c4)n3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRDUGOGZIRVWRZ-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cc(Oc4cccc(Cl)c4)ccn3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRZNIZCKBWPCU-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cc(Oc4cc(Cl)cc(Cl)c4)ccn3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTPQXGZOHDUAY-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cncc(Oc4cccc(Cl)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIVCDVXSYVWNOK-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cncc(Oc4cccc(OC(F)(F)F)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCBWQMHMMBBRM-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3cncc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGRSUPJKEDVVNG-UHFFFAOYSA-N", "SMILES:Cc1cn(C2CCN(Cc3ccnc(Oc4cccc(Cl)c4)c3)CC2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXZSEHLAYANGA-ZDLGFXPLSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENWAQSNUVVQEY-ODLFYWEKSA-N", "SMILES:CCOc1ccc2c(c1)O/C(=C\\c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVJPIRVTFPMGB-NDENLUEZSA-N", "SMILES:CCCOc1ccc2c(c1)O/C(=C\\c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBHBYDQTIOOFNY-BKUYFWCQSA-N", "SMILES:CCCCOc1ccc2c(c1)O/C(=C\\c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTLVAPQQJMMEH-NHDPSOOVSA-N", "SMILES:Cc1cc(/C=C2\\Oc3cc(OCC(C)C)ccc3C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTRXLXFWDPPJS-NHDPSOOVSA-N", "SMILES:Cc1cc(/C=C2\\Oc3cc(OCC4CC4)ccc3C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYPOQGMTWWDEV-XKZIYDEJSA-N", "SMILES:Cc1cc(/C=C2\\Oc3cc(OCCC(C)C)ccc3C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUVOHPSNVKNQHL-IUXPMGMMSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1cc(C)c(OCC(=O)O)c(C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTAKXUXHJWPOC-NVMNQCDNSA-N", "SMILES:CCOc1ccc2c(c1)O/C(=C\\c1cc(C)c(OCC(=O)O)c(C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRSIFEHCSVDEAN-GRSHGNNSSA-N", "SMILES:CCCOc1ccc2c(c1)O/C(=C\\c1cc(C)c(OCC(=O)O)c(C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMYMKTPYFGFERF-UKWGHVSLSA-N", "SMILES:Cc1cc(/C=C2\\Oc3cc(OCC(C)C)ccc3C2=O)cc(C)c1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YINSSTHMVMHBLE-UKWGHVSLSA-N", "SMILES:Cc1cc(/C=C2\\Oc3cc(OCC4CC4)ccc3C2=O)cc(C)c1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERIIBOQUJUPDM-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC)c1cc(-c2ccc(N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"name": "Proline-rich acidic protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4879502"], "id": "UniProtKB:Q96NZ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDOHGNBHJLAJC-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)N(CC)c1cc(-c2ccc(N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTSBOIQJNMQAL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLEIVKBLZYEPPM-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(-c2ccc(N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCXXYQSEKORLW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)nc3)cc(NC(=O)CC(C)C)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098253", "category": ["biolink:ChemicalEntity"], "name": "AZD2461", "xref": ["InChIKey:HYNBNUYQTQIHJK-UHFFFAOYSA-N", "SMILES:COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"], "synonym": ["Azd2461"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULRLWVKYCZRWGO-FQEVSTJZSA-N", "SMILES:CC[C@H](C)n1nc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVDSPVYVIVBCE-BWACUYKTSA-N", "SMILES:C=C(C/C=C/C(C)(C)O)[C@H](O)CC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATYPJVBGJVMRMR-PNCHPQGNSA-N", "SMILES:C=C(C)[C@H](O)CCC(=C)[C@H](O)CC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJYBQQHVDSJBCN-VRHCWRORSA-N", "SMILES:C=C(C)/C=C/C/C(C)=C/CC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARIXLKSWBLSTRC-ZBNJLOJRSA-N", "SMILES:C=C(C)[C@H](O)CC/C(C)=C/CC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHUNASCPMPZIQ-JPYJTQIMSA-N", "SMILES:C=C(CCC=C(C)C)[C@H](O)CC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTZXBQEXMSOSD-VEXUSMLFSA-N", "SMILES:CO[C@](C)(CCC=C(C)C)[C@H](O)CC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTZXBQEXMSOSD-YGOYIFOWSA-N", "SMILES:CO[C@@](C)(CCC=C(C)C)[C@H](O)CC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513978", "category": ["biolink:ChemicalEntity"], "name": "GRIFOLIC ACID", "xref": ["InChIKey:QPIZDZGIXDKCRC-JTCWOHKRSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)c(C(=O)O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2310311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYLFTJMQPWWDCW-PVBBERPISA-N", "SMILES:CC(C)=CCC/C(C)=C/CC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4859368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKNZJWGIWERQZ-SZXDNUTDSA-N", "SMILES:C/C(=C\\CC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1)C/C=C\\C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184041", "category": ["biolink:ChemicalEntity"], "name": "ERTIPROTAFIB", "xref": ["InChIKey:FONCZICQWCUXEB-RUZDIDTESA-N", "SMILES:Cc1cc(-c2c3ccccc3c(Br)c3sc(C)c(C)c23)cc(C)c1O[C@H](Cc1ccccc1)C(=O)O"], "synonym": ["Ertiprotafib", "PTP-112", "Ertiprotafib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4878553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKVZFNSISLWRC-UHFFFAOYSA-N", "SMILES:OCCCNc1nc(NCc2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL530354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOCRZTZPMVOAGN-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL536813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTKMDHONJEYCY-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYOQKKQTUPRMI-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nc(Nc3ccccn3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKAMDFVLYPZGKQ-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nc(Nc3nccs3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQBLEZWKILFATD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTQHLFRJGSCNIE-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(Nc3ccccc3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUCRNXTUOKQRD-UHFFFAOYSA-N", "SMILES:OCCCNc1nc(Nc2cccc(F)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNLXUQBKFUREJL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYAHXWISRXPDBA-UHFFFAOYSA-N", "SMILES:OCCCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLGKJWINBJKKN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nc(NCCN3CCOCC3)c3ccccc3n2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKONHKRZGSZJH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(Nc2nc(NCCN3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJZIHKKZGTYDHP-UHFFFAOYSA-N", "SMILES:OCCCNc1nc(NCCN2CCOCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYZHBHBHRMCTG-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc(NCCN3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQRPTVLWPWZTD-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPWQZPLOBAPPO-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGNXDJPPUZSJMF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJYGXDBXQAVQG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(NC(C)=O)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJWVHZCFQMEEU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(NC(C)=O)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHDQRKCGXPMNP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(NC(=O)OC)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYWIBMHOMQEDF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(NC(=O)CC2CC2)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGXUGSQGAKFAQZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(NC(=O)Cc2ccccc2)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCGLRFLLAOJLCW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(NC(=O)Cc2ccccn2)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDSWMLDQHPUDB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(NC(=O)Cc2nccs2)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOWZQYVIFDJJK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(CC(=O)NC)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOWZQYVIFDJJK-KRWDZBQOSA-N", "SMILES:CCS(=O)(=O)c1ccc([C@H](CC(=O)NC)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOWZQYVIFDJJK-QGZVFWFLSA-N", "SMILES:CCS(=O)(=O)c1ccc([C@@H](CC(=O)NC)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRAHAXONRBKDFP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(CC(=O)N(C)C)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQIXWPLYDPYNX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(Cc2nnco2)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHYHURXJQFALZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(Cn2cccn2)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODJIXKMFLJOGDA-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEXYBHSQPMAMB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(C)(=O)=O)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYZXEPEVBXNNA-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2cc(S(C)(=O)=O)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZNZQZEJJUMBN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYZXEPEVBXNNA-QGZVFWFLSA-N", "SMILES:CC(=O)N1Cc2cc(S(C)(=O)=O)ccc2[C@@H]1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYZXEPEVBXNNA-KRWDZBQOSA-N", "SMILES:CC(=O)N1Cc2cc(S(C)(=O)=O)ccc2[C@H]1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZNZQZEJJUMBN-GOSISDBHSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)[C@H]2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZNZQZEJJUMBN-SFHVURJKSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)[C@@H]2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYPZXXDHPTCII-UHFFFAOYSA-N", "SMILES:COCCS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPQHBKRFSKGEDN-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2cc(S(=O)(=O)CCO)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVDDJVICMSYNIS-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2cc(S(=O)(=O)C3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKPYTHQPDLLDE-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2cc(S(=O)(=O)CC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBKPVUOATLEJDS-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2cc(S(=O)(=O)CC3(C#N)CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMZPVFYOIDXTQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2cc(S(=O)(=O)CC3(F)CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWWWYLGWKNWDLQ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGOPCYIZHYONRL-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2cc(S(=O)(=O)NC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXJQDXWAIPVBTF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2c(c1)CNC2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSYNGRJEQCLVHJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2c(c1)CN(C=O)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKYGMCSLWMPQPS-UHFFFAOYSA-N", "SMILES:COCC(=O)N1Cc2cc(S(C)(=O)=O)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KITJFQIVUFPUPD-UHFFFAOYSA-N", "SMILES:CNC(=O)N1Cc2cc(S(C)(=O)=O)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMQZDSHUDJGVII-UHFFFAOYSA-N", "SMILES:COC1(C(=O)N2Cc3cc(S(C)(=O)=O)ccc3C2C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZECMHLTXSPBJB-UHFFFAOYSA-N", "SMILES:COC(=O)N1Cc2cc(S(C)(=O)=O)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAMVXQJATLBRNV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCO1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKUOSKLCGLQFP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2c(c1)CN(C(=O)CCC#N)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQGIYQGDYVKOSI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2c(c1)CN(C(=O)CO)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYIJFWZBSFEMNI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)CN(C=O)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZUSAUVLJFVZBH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCO1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNDNBCFVCPXIRA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)CCC#N)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUMWNEOCLIEIOQ-UHFFFAOYSA-N", "SMILES:O=CN1Cc2cc(S(=O)(=O)CC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDVOVFYDAXBSL-UHFFFAOYSA-N", "SMILES:COCC(=O)N1Cc2cc(S(=O)(=O)CC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYUKJQHZRMYIM-UHFFFAOYSA-N", "SMILES:NCCC(=O)N1Cc2cc(S(=O)(=O)CC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDHFRWUXYBOYAJ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc2c(c1)CN(C=O)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGNIRMNYZUZHY-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCO1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJYGXDBXQAVQG-QGZVFWFLSA-N", "SMILES:CCS(=O)(=O)c1ccc([C@@H](NC(C)=O)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQFNJDVABNQGGR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CC(=O)OC)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQCNJWSOLWZHA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCC(=O)OC)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGCISIMWDRHPJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CC(=O)O)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNAPSRNGJHTYOH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCC(=O)O)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OARNAYFMWARBRB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN(C(=O)OC(C)(C)C)C2CC(C)(C)C2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGOZVJBWQHSESS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN(CCCN2CCCC2)C(=O)OC(C)(C)C)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWIYAMYOJBJETQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCNCCCN2CCCC2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITPARNUAGNIBK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCNC2CC(F)(F)C2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQSZJDXBBEOQS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN(C)C)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLFJBJRPILQKCY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN2CCCC2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JODZUIOFBQFNCC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCCN2CCCC2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBQDOSVUFYUIM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN(CC)CCC)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBFSACARGFPMP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN2CCOCC2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WINMZAMZNWRYFG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN2CCN(C)CC2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAPGMKWDMIMYTL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN2CCN(CCOC)CC2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBAFYUVYAIUDW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN2CCC(NC(=O)OC(C)(C)C)CC2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEFFXBFVRUMXDB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN2CCc3ccccc3C2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAZFAVCENJLEJS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN2CCC(c3ccccc3)C2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEDPLOZIFCWFTJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN2CCCC2CN2CCCC2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWVKPGSIKXDCM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN2CCN(C3COC3)CC2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZPHJXXCQLWDJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCN2CCC(N)CC2)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYXUKFUWNBIOBX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(-c2ccc3nc(Nc4ccc(S(C)(=N)=O)cc4[N+](=O)[O-])ncc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHLIMAUYWXUIEC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(-c2ccc3nc(Nc4c(C)cc(S(C)(=N)=O)cc4N)ncc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLHXAKNUXURIJF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(SC)ccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGWVKPNXNPMUKR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(S(C)(=O)=O)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHZJQUAHVVLOV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(S(C)(=O)=O)ccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFGTYAKOPVKDA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQIHIAJVGPNAX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWGKODRBRFRZHB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(S(=O)(=O)NC(=O)C=C)ccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLPMZOSEDHLQN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(S(=O)(=O)NC(=O)C=C)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYEHCYDRHZCGMU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTPXICVAJZHAX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICXJOWWVKFZLN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3cc(OC)cc(OC)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHRSXJVWNJIGB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFYCMIWLVIHDW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CC)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJIRQFFPQKDFG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCC)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFWGPNRKSAWCIX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCO)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDIUWBNSCKRRRL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCCO)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMLUKWIONXDOR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CCCN(C)C)cc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939295", "category": ["biolink:ChemicalEntity"], "name": "H3B-6527", "xref": ["InChIKey:MBWRLLRCTIYXDW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1"], "synonym": ["H3b 6527", "H3b-6527", "H3B-6527"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFJOFZUNBLSGC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(Oc2nc(Nc3ccc(C#N)cc3)nc3c2CCCC3)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBZCSFIXNDKLEL-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQUDAZFSIWNBE-UHFFFAOYSA-N", "SMILES:Cc1cc(C=O)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIXDZUFZPWOPMA-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)nc2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVMXUVFDWROGBN-UHFFFAOYSA-N", "SMILES:Cc1cc(C=O)cc(C)c1Oc1nc(Nc2ccc(C#N)nc2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNUQSBCPXVTJRH-UHFFFAOYSA-N", "SMILES:Cc1cc(C=O)cc(C)c1Oc1nc(Nc2ccc(C#N)cn2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLKTLDKHGBSPB-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(CC#N)cc2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQFMNYIHTNZJBJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(OC(F)(F)F)cc2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXNIGZVYWOLHFC-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(S(C)(=O)=O)cc2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAQIDYUEGYIGBL-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJORLYCOJDABAV-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)nc2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHQJRHTJFMGGP-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(CC#N)cc2)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNZVWJGZHPRAEW-JXMROGBWSA-N", "SMILES:Cc1cc(/C=C/C(N)=O)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nn2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRKORYRRMKMZLK-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)nc2)nn2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBIBYISKHBQVAL-HWKANZROSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nn2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZADRZMHDGMGIPG-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1ccn2COCC[Si](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJKQTWBHFBSCW-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)nc2)nc2c1ccn2COCC[Si](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKUOWFWNZNKVCN-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cn2)nc2c1ccn2COCC[Si](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEORMEDUUZXORU-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1ccn2CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYIDGSHJRNQUOW-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cn2)nc2c1ccn2CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZJRZDXLKGCLQK-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)nc2)nc2c1ccn2CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDNPBYCFAWFZOQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1ccn2CC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGHJJTKQUMSJFR-QPABKMLOSA-N", "SMILES:COCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETPQUQOYDYWKN-IIXCLMFLSA-N", "SMILES:COc1cc(/C=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLOLQRDOQXQVKB-CQYWEGEGSA-N", "SMILES:COCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYGVQJDDRYUCBA-LTLKQSLSSA-N", "SMILES:COc1cc(/C=C/c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQFWSOXHTCOLBZ-CDITWBNYSA-N", "SMILES:COc1cc(/C=C/c2ccc(OCC(=O)NCc3ccc(C#N)cc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRHNTFMARFSDSM-JIXBEWIISA-N", "SMILES:COc1cc(/C=C/c2ccc(OCC(=O)NCc3ccncc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAMRAMIBFSUCA-UYICEXLRSA-N", "SMILES:COc1cc(/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSIKJIXVTJNWAX-UYICEXLRSA-N", "SMILES:COc1cc(/C=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRHZXQCKGFNAQY-IIXCLMFLSA-N", "SMILES:COc1cc(/C=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIUBDVDGDLRKAE-YLFIDVRWSA-N", "SMILES:COc1cc(/C=C/c2ccc(OCC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCNQXZRUUJOLAP-TZOAMJEDSA-N", "SMILES:CCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYWAVCFPYGQVON-JDRYRXCOSA-N", "SMILES:COc1cc(/C=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYLCIUKILMHUMC-YGTBBBQQSA-N", "SMILES:COc1cc(/C=C/c2ccc(N)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164920", "category": ["biolink:ChemicalEntity"], "name": "ORIDONIN", "xref": ["InChIKey:SDHTXBWLVGWJFT-XKCURVIJSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O"], "synonym": ["Isodonol", "Oridonin", "Oridonine", "Pure oridonin", "NSC-250682"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4877891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGQPCQJKJCCQW-QPABKMLOSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(C)=O)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTHQKWJVZLFET-CQYWEGEGSA-N", "SMILES:CCC(=O)Nc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHRIORLATDUBTP-UXKPLKHMSA-N", "SMILES:CCCC(=O)Nc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTXCNMALXMSHMR-CQYWEGEGSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)C(C)C)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEJFVIMENPEKEP-CDITWBNYSA-N", "SMILES:CCCC(C)C(=O)Nc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARWOUAWCCXJBR-QPABKMLOSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)COC(C)=O)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRZRCMZZKCGAB-YGTBBBQQSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)CCl)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSLEKOVSOOBRV-XIEOCDCISA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)CCCl)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDBPRWFLQLBDJ-CQYWEGEGSA-N", "SMILES:C=CC(=O)Nc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYHQLTNHGTZVOQ-GUOIZALXSA-N", "SMILES:C/C=C/C(=O)Nc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZUNRLNIINAOD-NMHALSJOSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)C3CC3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCEQTUZSPHIDCX-UXKPLKHMSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)C3CCC3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXJPZNAGYZGAJ-CDITWBNYSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)C3CCCC3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWIHAFPTMNSNHU-LTLKQSLSSA-N", "SMILES:COc1cc(/C=C/c2ccc(OCC(=O)NCc3ccc(Br)cc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNTUOCMBMNXTEB-JVGILAOSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFVKTKLYMSHINJ-WIEFOPMESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNKFDLREDUFAM-QJVRGZEFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYRIQCOYUVYED-UQDSVPEZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVDOPGQUHXUUSM-DRJNYDDFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVFFCPKLAMSMP-KZXPPTAISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOROYDJSOZRXIF-PIQYSYQWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSTDVQJIJHIXLZ-KZXPPTAISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSCHEMXODNKMU-ATCLXGPCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOZGRMIDLPGCP-QCVBIORRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSOKJPFCQSOTD-DJTZQDRGSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLYDTGNWJHTIT-VWFJRZIZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOEZPDUAQOMEAD-XBQHBRIDSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLNCYRSCVJILM-UHFFFAOYSA-N", "SMILES:Cc1cc(Cc2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4854072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQKVWXLIBNKFCS-OEAGFLSSSA-N", "SMILES:C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNJWZSXQAXCKEI-GXDWLZFVSA-N", "SMILES:C=C1CCC(=O)C(C)(C)[C@@H]1CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZQACQQGOBINR-RWYVGRAISA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@H]1C(C)(C)C(=O)CC[C@@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZQACQQGOBINR-BPSMVGOLSA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@H]1C(C)(C)C(=O)CC[C@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVOQFFCVUPHPU-RTAUEFNTSA-N", "SMILES:C=C(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)[C@H](O)Cc1c(O)c(Cl)c(C)c(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOOMDDPJDDUVDC-BZGAIODRSA-N", "SMILES:C/C(=C\\C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)[C@@H](O)Cc1c(O)c(Cl)c(C)c(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLZAYRRUNNMIQA-BPTKSNKRSA-N", "SMILES:Cc1c(Cl)c(O)c(C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)O)c(O)c1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQCKKGIVKOHRLM-HBFAXEOFSA-N", "SMILES:CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\\Cc1c(O)cc(C)c(C=O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL550973", "category": ["biolink:ChemicalEntity"], "name": "ILICICOLIN F", "xref": ["InChIKey:JSPPDMSCDGJJOM-YDMRWXCBSA-N", "SMILES:C/C(=C\\Cc1c(O)cc(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL560024", "category": ["biolink:ChemicalEntity"], "name": "ILICICOLIN C", "xref": ["InChIKey:IJEHYEVNWOYGMS-WGUBEYSISA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL132623", "category": ["biolink:ChemicalEntity"], "name": "ASCOCHLORIN", "xref": ["InChIKey:SETVRSKZJJWOPA-FLDGXQSCSA-N", "SMILES:CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4852487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTFIFNAWKMLKL-BYJVVKNHSA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)[C@H](O)C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4846724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANQYFFRCUDVEW-RIVHCSBJSA-N", "SMILES:CC(/C=C/[C@@]1(C)[C@H](C)CC[C@@H](O)[C@@H]1C)=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133046", "category": ["biolink:ChemicalEntity"], "name": "ASCOFURANONE", "xref": ["InChIKey:VGYPZLGWVQQOST-JUERRSSISA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C=C(\\C)[C@@H]1CC(=O)C(C)(C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4865354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHXSUSPTGLHIRR-UZFWGDPLSA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C=C(\\C)[C@@H]1C[C@H](O)C(C)(C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4874137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZTJKUJCRZDRDY-LPSKSUNQSA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C=C(\\C)CCC(=O)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXJWWFDLSCOIJ-CBMFITSNSA-N", "SMILES:C/C(=C\\Cc1c(O)cc(C)c(C=O)c1O)CC/C=C(\\C)CCC(=O)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTKITNQWMVMHM-ZCDMIVMPSA-N", "SMILES:C=C(C)[C@@H](O)CC/C(C)=C/CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JETBAJWGTJILJO-WNBKNDGGSA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C(C)=C(\\C)C(C)CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPSDBNKHUWYDPM-KTKWXZAPSA-N", "SMILES:CC(=O)O[C@@H](CC/C(C)=C/CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQFWSYDTCLDZBG-WZEZXNNGSA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C(=O)O)c1O)CC/C=C(\\C)CC[C@H](O)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4845837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZJNPSYHERZTNW-OBAQSYOKSA-N", "SMILES:C/C(=C\\Cc1c(O)cc(C)c(C=O)c1O)CC/C=C(\\C)CC[C@H](O)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4846020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVURAWKKNXOYHO-LHDPSMIPSA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C=C(\\C)CC[C@H](O)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4857846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMVCGMIGVKSDEQ-LHDPSMIPSA-N", "SMILES:C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C=C(\\C)CC[C@@H]1OC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL561643", "category": ["biolink:ChemicalEntity"], "name": "MANGOSTANIN", "xref": ["InChIKey:HQWHKELJHUFLGD-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4874476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJULESABMLYHFU-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc4c(c(OCC(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQJPYDYQHXQVJC-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc4c(c(OCCCCC(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNVCVMNPYZVHJU-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc4c(c(OCCCCCC(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAABCHNCRYYXGP-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc4c(c(OCCCCCCC(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNXWRBYYPDGMTA-VOTSOKGWSA-N", "SMILES:COc1c(O)cc2oc3cc4c(c(OC/C=C/C(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZRVTUAWYCXHH-BQYQJAHWSA-N", "SMILES:COc1cc2oc3cc4c(c(OC/C=C/C(=O)O)c3c(=O)c2c(CC=C(C)C)c1OC)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHXPHUHXSOEGP-CMDGGOBGSA-N", "SMILES:CCOc1cc2oc3cc4c(c(OC/C=C/C(=O)O)c3c(=O)c2c(CC=C(C)C)c1OC)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNBLEOKNYOAEK-CMDGGOBGSA-N", "SMILES:COc1c(OC(C)C)cc2oc3cc4c(c(OC/C=C/C(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNRZKSTQYGTBE-FMIVXFBMSA-N", "SMILES:COc1c(OCc2ccccc2)cc2oc3cc4c(c(OC/C=C/C(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSHRJGAYOZGQR-VOTSOKGWSA-N", "SMILES:COc1c(OCc2ccc(F)cc2)cc2oc3cc4c(c(OC/C=C/C(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XESGVNRXVFMDQD-UHFFFAOYSA-N", "SMILES:COc1c(OCc2ccc(F)cc2)cc2oc3cc4c(c(OCCCC(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSHRJGAYOZGQR-SREVYHEPSA-N", "SMILES:COc1c(OCc2ccc(F)cc2)cc2oc3cc4c(c(OC/C=C\\C(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUPEILEDYZJSF-CMDGGOBGSA-N", "SMILES:CCOC(=O)/C=C/COc1c2c(cc3oc4cc(OCc5ccc(F)cc5)c(OC)c(CC=C(C)C)c4c(=O)c13)OC(C)(C)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZQXYHUGKYXDI-FMIVXFBMSA-N", "SMILES:CCOC(=O)/C=C/COc1c2c(cc3oc4cc(OCc5cccc(F)c5)c(OC)c(CC=C(C)C)c4c(=O)c13)OC(C)(C)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVRFBQHSIJFDEF-DHZHZOJOSA-N", "SMILES:COc1cccc(COc2cc3oc4cc5c(c(OC/C=C/C(=O)O)c4c(=O)c3c(CC=C(C)C)c2OC)C=CC(C)(C)O5)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXXJRGDLISKGD-BQYQJAHWSA-N", "SMILES:COc1c(OCc2ccc(S(C)(=O)=O)cc2)cc2oc3cc4c(c(OC/C=C/C(=O)O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLZYKWHQKCZMD-UHFFFAOYSA-N", "SMILES:COc1c(OCCCCCCC(=O)O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDKBMEQXMMFRRO-UHFFFAOYSA-N", "SMILES:O=C(CC1CCNCC1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIRPRXWYEULXGG-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)CC2CCNCC2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFKPQCJYMDGGR-KBPBESRZSA-N", "SMILES:C=C[C@H]1CNCC[C@H]1CC(=O)c1[nH]c2ccccc2c1CCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4865840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFKPQCJYMDGGR-ZIAGYGMSSA-N", "SMILES:C=C[C@@H]1CNCC[C@@H]1CC(=O)c1[nH]c2ccccc2c1CCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL864", "category": ["biolink:ChemicalEntity"], "name": "CARBINOXAMINE", "xref": ["InChIKey:OJFSXZCBGQGRNV-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1"], "synonym": ["Carbinoxamine", "Carbinoxamine", "Carbinoxamina", "Palgic"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL188921", "category": ["biolink:ChemicalEntity"], "name": "BUFLOMEDIL", "xref": ["InChIKey:OWYLAEYXIQKAOL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1"], "synonym": ["Buflomedil", "Buflomedil"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1476605", "category": ["biolink:ChemicalEntity"], "name": "CLOFOCTOL", "xref": ["InChIKey:HQVZOORKDNCGCK-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1"], "synonym": ["Clofoctol", "Clofoctol", "Octofene", "NSC-758389"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL136497", "category": ["biolink:ChemicalEntity"], "name": "IRSOGLADINE", "xref": ["InChIKey:ATCGGEJZONJOCL-UHFFFAOYSA-N", "SMILES:Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1"], "synonym": ["Irsogladine", "Irsogladine", "Irsogladina", "NSC-759836"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL358150", "category": ["biolink:ChemicalEntity"], "name": "ETOFIBRATE", "xref": ["InChIKey:XXRVYAFBUDSLJX-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1"], "synonym": ["Etofibrate", "Etofibrate", "Etofibrato"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL253376", "category": ["biolink:ChemicalEntity"], "name": "BROMHEXINE", "xref": ["InChIKey:OJGDCBLYJGHCIH-UHFFFAOYSA-N", "SMILES:CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1"], "synonym": ["Bromhexine", "Bromhexine", "Bromhexine", "Bromhexina", "Bromhexine", "Bromhexine", "Fluibron"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL746", "category": ["biolink:ChemicalEntity"], "name": "NEDOCROMIL", "xref": ["InChIKey:RQTOOFIXOKYGAN-UHFFFAOYSA-N", "SMILES:CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12"], "synonym": ["Nedocromil", "Nedocromil", "Nedocromil", "Nedocromilo", "Nedocromil", "Nedocromil", "FPL 59002", "FPL-59002", "Nedocromil"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4867029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZDAQQXENFCXKS-UHFFFAOYSA-N", "SMILES:O=C(NCCO[N+](=O)[O-])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHRSHSOEWXUORL-UHFFFAOYSA-N", "SMILES:NCC1CCC(C(=O)Oc2ccc(CCC(=O)O)cc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4847991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADOPVXSYJGWQLO-KPKJPENVSA-N", "SMILES:CC(C)=COc1ccc(/C=C/C(O)c2ccc(OC=C(C)C)cc2OCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRANBIQCFBHFV-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086440", "category": ["biolink:ChemicalEntity"], "name": "TRICLABENDAZOLE", "xref": ["InChIKey:NQPDXQQQCQDHHW-UHFFFAOYSA-N", "SMILES:CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1"], "synonym": ["Triclabendazole", "Triclabendazole", "Triclabendazole", "Triclabendazole", "Triclabendazol", "Triclabendazole", "Fasinex", "Triclabendazole", "EGA230B", "NSC-759250", "NVP-EGA230", "Egaten", "Egaten tm", "Triclabendazole"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL33845", "category": ["biolink:ChemicalEntity"], "name": "DICHLOROPHEN", "xref": ["InChIKey:MDNWOSOZYLHTCG-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O"], "synonym": ["Dichlorophen", "Dichlorophen", "Dichlorophene", "Diclorofeno", "Anthiphen", "Didroxane", "Parabis", "G-4", "NSC-38642"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4864193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKREPOFPNSZAL-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(Cl)c(Cl)c2)oc2c3c(ccc12)OCN(Cc1cccc(F)c1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENODOKGCNTEOM-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CCOCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKEYRMNZCOXCQD-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1ccccc1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPYNUFKDCQMSV-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CCCCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBMNFMMJKHKNAA-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CCCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMODGQJUNHLKL-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMQMOJCDJKWOJP-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCDBUUFXCXQYLW-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C(C)C)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKRCZLVHXWJJC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJIOROLIBXHGC-UHFFFAOYSA-N", "SMILES:CCN(C(C)=O)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNNVJBDUZUMRC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2CCN3C(=O)C2CC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKNLORRCUVZTRM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2CCN3C(=O)C2CCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFIZHJCMQOUXBF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2CCN3C(=O)c2ccco2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVFZELSHEYYDNN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2CCN3C(=O)C2CCOCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNXVYMNWNRTPC-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(N)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRBNHIMEOITJHI-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(NC(=O)c3cccs3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLWIAEYYTVFHMS-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(NC(=O)c3cccnc3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHYLWKBQLTJKF-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(NC(=O)C3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIFEECNLRJKLT-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(NC(=O)CCN(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZIWOSOISZTJH-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGAAQXSBKUGQFH-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCNCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDGWFOBQGQBGJ-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(CC4CC4)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWESEHNLUGVCRL-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(N(CC)C(=O)C4CC4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQQGHNFAYHHBX-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(CC4CC4)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQCQAOKPLACZCY-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(CC4CC4)CC3)nc2C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KESSZZBYKMGKKM-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2cnc(N3CCN(CC4CC4)CC3)c(C)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWOPVAGVHOYUSO-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2cnc(N3CCN(CC4CC4)CC3)cc2C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDHXTKLNKLXXMJ-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cncnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUXCPNAEQZPTA-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cccc3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJBYVFUROMXKEU-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Br)cc(NC2=NS(=O)(=O)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAKTWUROYDPFN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(Br)cc(NC2=NS(=O)(=O)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INISCTBYFBNWBT-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(NC2=NS(=O)(=O)c3ccccc32)cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNAMSDKPVOLNCW-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cc(Br)cc(C(F)(F)F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVTVTBNHNVAOX-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2ccccc2Br)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXZGNVOBHRVQU-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cccc(Br)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGXHIOUFAXJJB-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2ccc(Br)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSHCTAHVFWNET-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYIUNIQAWCQVNX-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cc(Br)cc(Br)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1565910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOHXVVACOFWROT-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(NCc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWOVYKWQICYDK-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(NNc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRANAHOPJRWOOC-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(NCCc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFBBMIOXQRUMR-UHFFFAOYSA-N", "SMILES:O=C1N=C(Nc2cc(Br)cc(Br)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFFOIZLBYOTPND-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(Nc2cc(Br)cc(Br)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHAXTFTZQLPHPE-UHFFFAOYSA-N", "SMILES:Brc1cc(Br)cc(Nc2nsc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSBZSLACNJJLDD-UHFFFAOYSA-N", "SMILES:[O-][s+]1nc(Nc2cc(Br)cc(Br)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBLQLJVBDXRFQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Nc2nsc3ccccc23)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSJHOGFQKRIZRF-UHFFFAOYSA-N", "SMILES:[O-][s+]1nc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJRWXDWPMUJHMW-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nsc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDWFLGDYHHDAD-UHFFFAOYSA-N", "SMILES:[O-][s+]1nc(Nc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTRZTPPTZHACH-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICBJPVKMRYDPPP-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Nc2nsc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBUGLZTZBMKHFL-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Nc2nsc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VITJWQGYLIMHDA-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nsc3ccccc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLEYHVXFUFILQK-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2nsc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMUYMCNZOLURH-UHFFFAOYSA-N", "SMILES:Brc1ccc(Nc2nsc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJXRYJULQJEVLZ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nsc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEHZZRAGNFLZOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nsc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLXUMMLVFXJKP-UHFFFAOYSA-N", "SMILES:c1ccc2c(NC3CCCC3)nsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTAFUPMBBJKZLL-UHFFFAOYSA-N", "SMILES:c1ccc2c(NC3CCCCC3)nsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BANMXTKDPRIOMI-UHFFFAOYSA-N", "SMILES:c1ccc2c(NC34CC5CC(CC(C5)C3)C4)nsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKIWCYFWMMURZ-UHFFFAOYSA-N", "SMILES:c1ccc(NNc2nsc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRGDAUNRAKCJI-UHFFFAOYSA-N", "SMILES:c1ccc(CCNc2nsc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUBYIQRQKHJCY-UHFFFAOYSA-N", "SMILES:COc1cc(NC2=NS(=O)(=O)c3ccccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413858", "category": ["biolink:ChemicalEntity"], "name": "BREVETOXIN B", "xref": ["InChIKey:LYTCVQQGCSNFJU-FGRVLNGBSA-N", "SMILES:C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)C/C=C\\[C@H]4O[C@H]3C[C@H]2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4860010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTICSWZBHJCKZ-OAHLLOKOSA-N", "SMILES:Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2C(F)F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGIPUFIRKQGAV-MRXNPFEDSA-N", "SMILES:Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2C(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBBMZFBBTNDWPZ-VMBOVVBDSA-N", "SMILES:Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2C(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDVJRAYHGAJKBV-JTTJXQCZSA-N", "SMILES:Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)nc2C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJKIBYWDHXZGA-OFLPRAFFSA-N", "SMILES:Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWKVXWHNUVDGH-UYSNPLJNSA-N", "SMILES:Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGIWTHAFBUADH-TZIWHRDSSA-N", "SMILES:Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(=O)CC4)c4c3C[C@H]3C[C@@H]43)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUNDCQZYBPUZKC-FYYLOGMGSA-N", "SMILES:Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(OCCO)CC4)c4c3C[C@H]3C[C@@H]43)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXUDSKNFZITCKY-QTIKAUNUSA-N", "SMILES:Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC5(CO)CC4C5)c4c3C[C@H]3C[C@@H]43)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKIJTFIDFSLJGD-GLHSZLCASA-N", "SMILES:Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CC[C@@H](O)[C@H](F)C4)c4c3C[C@H]3C[C@@H]43)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQTYSIRZHFUWEN-SNZQLRPQSA-N", "SMILES:Cc1c(F)ccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(O)C(CO)C4)c4c3C[C@H]3C[C@@H]43)C3(CC3)C2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQOSVVPTVIHSPY-UHFFFAOYSA-N", "SMILES:CC(=O)NC1CCN(C(=O)c2nn(CC(=O)N3CCN(c4cccc(C)c4Cl)CC3)c3c2C2CCCCC2C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUKQAKIOADHXSE-AWEZNQCLSA-N", "SMILES:CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c3c(Oc4c(F)ccc(OCCOC)c4Cl)nccc3c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUGCSYQFJCAFSO-ZDUSSCGKSA-N", "SMILES:CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c3c(Oc4c(F)ccc(N(C)C)c4Cl)nccc3c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGJMPFCJVCOPC-LBPRGKRZSA-N", "SMILES:CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c3c(Oc4c(F)ccc(OC)c4Cl)nccc3c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLRIKBDIESWBNK-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c3c(Oc4c(F)cccc4Cl)nncc3c2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCRUWTKENYEOJH-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2nc(OC(C)C(F)(F)F)c3c(Oc4c(F)cccc4Cl)nccc3c2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFRIMQHCZPUTQX-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c3c(Nc4c(F)cccc4Cl)nncc3c2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYUABISMIVAQO-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1CNc1ncc(Oc3ccccc3)c3nncn13)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPJKOPMYFTYCO-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1CNc1ncc(Nc3ccccc3)c3nncn13)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNOVSELXQVAOAN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBIGPENTNOAEDO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXZRXSUIUHQMF-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1ccccc1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBIUFHZODARWDR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYMPFIJSRVLDX-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(C(=O)Nc2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBMRMANCAOUHT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVDJYOJHFZQGS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WONQZYHIDSNJNM-UHFFFAOYSA-N", "SMILES:O=C1Cc2ccccc2CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYHUMIKYZIGGL-UHFFFAOYSA-N", "SMILES:O=C1Oc2ccccc2CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNYKTSHWVBTQJ-UHFFFAOYSA-N", "SMILES:O=C1c2cnccc2CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGCJXGENIZCHK-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc2c(c1)CN(c1cnc(NCc3c(F)ccc4c3CCO4)n3cnnc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNKWXDGDZUKQSS-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(OCCN3CCCC3)cc2CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISNAISNLQBDTP-UHFFFAOYSA-N", "SMILES:COCCC(=O)Nc1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCKHOLQJKSLQS-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVUXQLYNUSVAB-LLVKDONJSA-N", "SMILES:C[C@@H]1CC(=O)N(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVUXQLYNUSVAB-NSHDSACASA-N", "SMILES:C[C@H]1CC(=O)N(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDDBAXAXVBWFC-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)N(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWOLLTNLUAOGPM-UHFFFAOYSA-N", "SMILES:O=C1CC2(CC2)CN1c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGXMYERPSYFYER-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWKNMYDLPYDLM-UHFFFAOYSA-N", "SMILES:CN(c1cccnc1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJDUAGRGRUJTR-UHFFFAOYSA-N", "SMILES:CN(c1ccncc1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOZOFOAKZIBEB-UHFFFAOYSA-N", "SMILES:CN(c1cn(C)cn1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTFCLIVEBAYJY-UHFFFAOYSA-N", "SMILES:CN(c1ncco1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCTREINTRHPOKL-UHFFFAOYSA-N", "SMILES:CN(c1cnn(C)c1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNBASDDWNLWQCH-UHFFFAOYSA-N", "SMILES:CN(c1ccn(C)n1)c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARKVCSGRXHZCBO-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2n[nH]c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJZMRPGTHQONJE-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2c(=O)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWAFCULISJMSMO-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2nn(CC#N)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDIDNXJBEKHAIP-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2ncc(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQZTOZYOWIIII-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cn[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PONODDUVQSJBMZ-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cnc(NCc2c(F)ccc3c2CCO3)c2cn[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLBWMBWGHGLKQ-UHFFFAOYSA-N", "SMILES:CN(c1ccn(C)n1)c1cnc(NCc2c(F)ccc3c2CCO3)c2cn[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQRVZIFGESNLBU-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc2c(c1)CN(c1cnc(NCc3c(F)ccc4c3CCO4)c3cn[nH]c(=O)c13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPONVRYLBDEBM-UHFFFAOYSA-N", "SMILES:Cc1nc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cn[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZATJZXMNMNFY-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)N(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cn[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJAYAKPXIMEII-UHFFFAOYSA-N", "SMILES:Cc1nc(CO)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cn[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIQSTSMSBJYCD-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cn[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWESYWNGHMFWPZ-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cn[nH]c(=O)c23)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEXGSUSJLZYAO-UHFFFAOYSA-N", "SMILES:Cc1nccn1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cn[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYWQHANVZWYRJ-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cn[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHXPNPSLFQFVIU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cn[nH]c(=O)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPMGEVLWMIBBAQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cn[nH]c(=O)c23)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMXPJUJQTVJDS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)c3cn[nH]c(=O)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGZZRJUUOMKIPV-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cn[nH]c(=O)c23)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLDITKFYXQFSD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cn[nH]c(=O)c23)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFRLKHEVQGSLV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cn[nH]c(=O)c23)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHKXWTFBDZEDBL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cn[nH]c(=O)c23)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQWVPTXCPBSMKG-HNNXBMFYSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQWVPTXCPBSMKG-OAHLLOKOSA-N", "SMILES:O=C(N[C@H](Cc1ccc(O)c(I)c1)C(=O)O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPXPOWICTUCKN-HNNXBMFYSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c(Br)c1)C(=O)O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWUDWLQZXNWPPA-HNNXBMFYSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQJCRWJAKRFMI-HNNXBMFYSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLUALSKWKJMSM-AWEZNQCLSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBCYWNASNKEVGW-KRWDZBQOSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)c2cc3c(F)cccc3[nH]2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAWBWOQZJQZGBC-FQEVSTJZSA-N", "SMILES:O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPRKPQCWJTUWSM-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(I)cc1)C(=O)O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAGCTYWKDRLPHT-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJDGSNBMPJAAHI-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](Cc1cccc(I)c1)C(=O)O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJDUKDNYNASBX-AWEZNQCLSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O)c1c[nH]c2cccc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAYOZHFTZUJARS-HNNXBMFYSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O)c1cc2cc(F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJGTUFMIQYMFH-HNNXBMFYSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O)c1cc2ccc(F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGQKJDVKJFNBW-AWEZNQCLSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O)c1cc2cccc(F)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIESTZXBULBROJ-HNNXBMFYSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYJHVNQOBGYFY-ZDUSSCGKSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O)c1cc2c(F)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRVNTQPMGMJOH-ROUUACIJSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRVNTQPMGMJOH-ZWKOTPCHSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRVNTQPMGMJOH-QZTJIDSGSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRVNTQPMGMJOH-MSOLQXFVSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRNGXYMKYHNMLV-GOTSBHOMSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)C[C@@H]1CCCN(C(=N)N)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL429852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNZHOIDQBPFEJU-OAQYLSRUSA-N", "SMILES:CC(C)C[C@@H](NC(=N)N)C(=O)NCC(=O)N1CCC(c2cc(-c3ccc(OCc4ccc(C(=O)O)o4)c(Cl)c3Cl)nn2C)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4868517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTRBTNQVRQZIGY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIRGYLPPCCUTOD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLARLFPKHDVVPQ-UHFFFAOYSA-N", "SMILES:CCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DREFJQDUVPJVKI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NOC(C)(C)C2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQLUEONWNDPITM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(C)c(=O)o2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQPYVJQWAVKAEM-UHFFFAOYSA-N", "SMILES:Cc1c(C2=NOC(C)(C)C2=O)cccc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDVVIMMGQHFHBT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(C(=O)Nc2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDPDBPBRFMYPNO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccccc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFLVVCARMXCDDZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWZLAHHWMLIIM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cncc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBFUAFQFQUCONY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIJFVBUOPDNBC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLWMFLCTSEIFM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(C)c(=O)o2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWPMRXOYWPQBNY-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBQSVJVKJBSFF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2n[nH]c(=O)o2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKAHFFVNALZECX-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)cccc1-c1nn(C)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKUOKJLHOMZRY-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)cccc1-c1nn(C)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHHIGBIGGBDEJY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGUYNQSINSZOC-UHFFFAOYSA-N", "SMILES:CC1(C)ON=C(c2ccc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVYBGVNDJRLCB-UHFFFAOYSA-N", "SMILES:CC1(C)ON=C(c2cccc(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYBMFNXZJWGAKW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NC(C)(C)CO2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQKJRLFKTVLPBX-FPDLSIJQSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1ccc3ncccc3c1)=C/CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKHXGJCZOWEZAO-CVLHGANWSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1ccc3nccc(Br)c3c1)=C/CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJDYDBQHXWYQO-JTQLQIEISA-N", "SMILES:NS(=O)(=O)N1CCC2(CC1)C[C@H]2c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOVAADHSJMPEGN-INIZCTEOSA-N", "SMILES:NS(=O)(=O)N1CCC2(CC1)[C@H](c1cccc(-c3ccc(C(F)(F)F)cc3)n1)C2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNGXZAAMZYOTC-INIZCTEOSA-N", "SMILES:NS(=O)(=O)N1CCC2(CC1)[C@H](c1cc(-c3ccccc3)ccn1)C2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQFRQJGNKSUNP-IBGZPJMESA-N", "SMILES:NS(=O)(=O)N1CCC2(CC1)[C@H](c1cccc(-c3ccccc3C3CC3)n1)C2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKYSXKWSOTUOKJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)N1CCC2(CC1)C(c1cccc(-c3cccc(C(F)(F)F)c3)c1)C2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZOXLULJYUCKF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)N1CCC2(CC1)C(c1cccc(-c3conc3C3CC3)n1)C2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIBBGYSUSKAPDY-KLPPZKSPSA-N", "SMILES:Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1C[C@@H](CO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL169390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLYRPGBSIKAIAU-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZPXNXYARLTMGL-GASCZTMLSA-N", "SMILES:CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4cc(O)ccc4F)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJCGQNHDULZJOR-CALCHBBNSA-N", "SMILES:CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4ccc(O)cc4)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLOASMXRJBZZAG-IYBDPMFKSA-N", "SMILES:CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4ccc(Cl)c(O)c4)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFVCYTODGMGPAD-IYBDPMFKSA-N", "SMILES:CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4ccc(Cl)c(N)c4)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXYKLOTLJDLNL-BETUJISGSA-N", "SMILES:COC(=O)N[C@H]1CC[C@@H](n2cc(-c3ccc(Cl)c(N)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWKUBTQEYKTRNT-UHFFFAOYSA-N", "SMILES:COC(=O)NC12CCC(n3cc(-c4ccc(Cl)c(N)c4)c4c(N)ncnc43)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTQBVRKZLEDPK-UHFFFAOYSA-N", "SMILES:COC(=O)NC12CCC(n3cc(-c4cc(N)c(Cl)cc4F)c4c(N)ncnc43)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDWGWERBFXSKLX-CALCHBBNSA-N", "SMILES:CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4cccc(O)c4)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISERFAGOSHEUAE-IYBDPMFKSA-N", "SMILES:CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4ccccc4O)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYPIMGHSNYOJD-CALCHBBNSA-N", "SMILES:COc1cc(-c2cn([C@H]3C[C@@H](N4CCN(C(C)=O)CC4)C3)c3ncnc(N)c23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYIIYVCQNRFCBG-RSAXXLAASA-N", "SMILES:Cl.NC1(C(=O)N[C@H](C(=O)NO)c2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJQJXHDZSHLBDC-NTISSMGPSA-N", "SMILES:Cl.NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NO)CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXTZTWBCXVRWOK-ZOWNYOTGSA-N", "SMILES:CC(C)C[C@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)C(=O)NO.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWMAZTPLKZCMJF-FERBBOLQSA-N", "SMILES:Cl.NC1(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NO)CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHDNVBNIQCIVSJ-YDALLXLXSA-N", "SMILES:CC(C)[C@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)C(=O)NO.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYIIYVCQNRFCBG-XFULWGLBSA-N", "SMILES:Cl.NC1(C(=O)N[C@@H](C(=O)NO)c2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJQJXHDZSHLBDC-PKLMIRHRSA-N", "SMILES:Cl.NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NO)CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXTZTWBCXVRWOK-BTQNPOSSSA-N", "SMILES:CC(C)C[C@@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)C(=O)NO.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWMAZTPLKZCMJF-GMUIIQOCSA-N", "SMILES:Cl.NC1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NO)CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHDNVBNIQCIVSJ-UTONKHPSSA-N", "SMILES:CC(C)[C@@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)C(=O)NO.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUGGJLUQAMBJLC-QGZVFWFLSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)NO)C1CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRBKLRFUACDMAJ-CQSZACIVSA-N", "SMILES:CC(C)C[C@@H](NC(=O)C1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPRFASVUHREZBU-MRXNPFEDSA-N", "SMILES:O=C(N[C@@H](C(=O)NO)c1ccccc1)C1CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNKOVSXMPLCPL-MRXNPFEDSA-N", "SMILES:O=C(NO)[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLSCPSYRMMMGU-CYBMUJFWSA-N", "SMILES:CC(C)C[C@@H](NC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTDFYNXEDDJIET-OAHLLOKOSA-N", "SMILES:O=C(NO)[C@H](NC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCAMBECEMHXFAZ-QGZVFWFLSA-N", "SMILES:O=C(NC1CCN(c2ncnc3[nH]ccc23)CC1)N[C@H](Cc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTZINOGNMUSAIU-CQSZACIVSA-N", "SMILES:CC(C)C[C@@H](NC(=O)NC1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVGIKFLEJLNHQK-MRXNPFEDSA-N", "SMILES:O=C(NC1CCN(c2ncnc3[nH]ccc23)CC1)N[C@@H](C(=O)NO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYAATRGUKXNGDM-QGZVFWFLSA-N", "SMILES:Cc1cn(-c2ccnc(N[C@@H]3CCN(C(=O)c4nccs4)C3)n2)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMOACOPVFVMARL-GOSISDBHSA-N", "SMILES:O=C(c1nccs1)N1CC[C@@H](Nc2nccc(-n3cc(C4CC4)nc3-c3ccccc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLRMVOGIUJFAA-GOSISDBHSA-N", "SMILES:O=C(c1nccs1)N1CC[C@@H](Nc2nccc(-n3cc(C4CC4)nc3-c3cccc(Cl)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXTDLTDCTICHTG-UHFFFAOYSA-N", "SMILES:CCCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQKZSOZLMPMBB-UHFFFAOYSA-N", "SMILES:CCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKVGVJMEFOEOF-UHFFFAOYSA-N", "SMILES:CCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(C)ccc4OC)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZBKOVVHITLRP-UHFFFAOYSA-N", "SMILES:CCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQFWXQJWJDGJI-UHFFFAOYSA-N", "SMILES:CCOc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(C)ccc4OC)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPUJFDGYIXCVPI-UHFFFAOYSA-N", "SMILES:CCOc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILIYLBMRDNBTK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3nc4ccccc4n4c(C(C)C)nnc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFOCUILNXDTDW-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2nc3ccccc3n3c(C(C)C)nnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDMJURMBLDTJO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2nc3ccccc3n3c(C(C)C)nnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOSOZFYXYBSLY-UHFFFAOYSA-N", "SMILES:CCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRESTJHYSWYYIU-UHFFFAOYSA-N", "SMILES:CCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(C)ccc4OC)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPWNUHUFCEHMW-UHFFFAOYSA-N", "SMILES:CCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUHRJJKIWDZCU-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRJHTGWTVCCQH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1S(=O)(=O)Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDWJXGCAABFANI-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVLOLWHPGUCPD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3nc4ccccc4n4cnnc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJMQCZNFZKZDNU-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUKKUXAICVDMPW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTSJQGLNFTMMI-UHFFFAOYSA-N", "SMILES:CCCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(C)ccc4OC)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCKBFLCWNPAJQS-UHFFFAOYSA-N", "SMILES:CCCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTJESMFPKMALH-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2nc3cc(C)c(C)cc3n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSGAGAIGGFLOQ-UHFFFAOYSA-N", "SMILES:CCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3cc(C)c(C)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDROFWOYVKTLMO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2nc3cc(C)c(C)cc3n3c(C(C)C)nnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QALCGQUMECIAMX-UHFFFAOYSA-N", "SMILES:CCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3cc(C)c(C)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUGDYTWGIYGOI-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2nc3cc(F)c(F)cc3n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGEFIQKYZDOIKO-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2nc3cc(F)c(F)cc3n3cnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OARFNQIGDBYDIP-UHFFFAOYSA-N", "SMILES:CCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3cc(F)c(F)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDHYRPVKBBYSB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4F)C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZUCVRWXCDWJFH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(-c3ccn(Cc4csc(C)n4)n3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1433055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDDIKSIXQVQAT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccon1)c1cc(-c2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADJALJXYKSCIB-UHFFFAOYSA-N", "SMILES:COC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCKBCBJDYVVUFB-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1S(=O)(=O)Nc1cccc(N2CCCS2(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEECFTLKYBWOCK-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(SC)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HANZKKJFFHVTLY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(O)c1"]}
{"name": "Urea transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL3739247"], "id": "UniProtKB:P97689", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWGOBADKIHKJTG-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccccc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXYRRGYZBRAKFU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQHAWTCAMGGGMD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(Cl)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERHTPMJGAUCNN-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(O)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSCGQXSALZQIG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHJMTYEOPCPKG-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(N)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMZCUBBWCVCEH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)Cc3ccccc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJMXYDXVOUNDO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(S(=O)(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOLUDJOTGOAFSI-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)O)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJPCPXYDKHSNBM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)OC)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZYNUOQYNRWJS-UHFFFAOYSA-N", "SMILES:CCCCOC(C)(C)c1ccc(S(=O)(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYJDIHSRSZBDZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCYBRAYPNJDWEW-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWBDQYZPFVIHX-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDHJKOMZAWUIFM-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQAAHNAFJONDOV-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCHRCTUMMKSGJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(F)(F)F)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUHYAODNUVADW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)(C)C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIHAWQFIOGHOPE-UHFFFAOYSA-N", "SMILES:COc1ccc(C#N)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZWWLVPMSHJFT-UHFFFAOYSA-N", "SMILES:COc1ccc(CO)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANZUJJGBSAWIF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(N)=O)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSUWAXGWVJBJU-OAHLLOKOSA-N", "SMILES:COc1ccc([C@@H](C)O)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSUWAXGWVJBJU-HNNXBMFYSA-N", "SMILES:COc1ccc([C@H](C)O)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADZTFWMZOQMAW-UHFFFAOYSA-N", "SMILES:COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHYQRJTXWSXNR-UHFFFAOYSA-N", "SMILES:COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYMUHFQKVKZDV-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMHZCAFBFMNOP-UHFFFAOYSA-N", "SMILES:COc1cc(Br)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVWYBHOMFFIDT-UHFFFAOYSA-N", "SMILES:COc1cc(Br)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFBLHDMTWBWDE-UHFFFAOYSA-N", "SMILES:COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWVFTNIGIINRMA-UHFFFAOYSA-N", "SMILES:COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKGVLVEIMGMIE-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJUPHJKNJRARY-UHFFFAOYSA-N", "SMILES:COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWFOILULGFGAF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZPIGIZRUYSBGI-UHFFFAOYSA-N", "SMILES:COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWZEYZBAGSOOH-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHLJEMVRHTUUBB-UHFFFAOYSA-N", "SMILES:COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLGTMLBYACVCR-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGWKSLCLGTVDQ-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZYZBKBHITSPM-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSRTQWUAJYMBG-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSUZXMWZIRSORF-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAAQQLAZKZBPMH-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTPVFHLNGWTLNH-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)=O)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEWGQHWJYPOCX-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUJAJPVZEWNBML-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVHMJUCJBUJMLH-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIQSNHAMCMTORV-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLADTXOLVSOER-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJFBLVUEGQWIIO-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXPDOXDYGICTQN-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAVGTIZMWFMYNC-UHFFFAOYSA-N", "SMILES:CCc1c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nnn1-c1cc(OC)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDWMAJDWFXPJR-UHFFFAOYSA-N", "SMILES:CCc1c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nnn1-c1cc(C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKCEFGDIDWEFV-UHFFFAOYSA-N", "SMILES:CCc1c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nnn1-c1cc(Cl)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVIUWLZJLMQOZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIUANHUFEHCJIG-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDLCYSLZMUDPS-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCXVQVIPLQGCY-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2cc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOBJPNQIXTZNJE-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1-n1cc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWMZWTSNHQZTLZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-n1cc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDNGCXVICLTJOO-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVQNTTJRHZUHHX-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJLVPAJNINYELC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTYFTMGELMJBAZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTVXHVUEIOOGDK-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRDEIDZVNCYAA-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMBFKDRMKPVFMS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCKGIIQUBJXHQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFORCMNTWWLBOW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPLRLUDZZUOMEB-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTMOGLDGMYWKBV-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISUIHNSTXREED-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXOLWIOYFIMBU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2nc(C)c(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRNEIVXJKJKOX-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1nc(C)c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLQQVCNZVHZKAD-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1-c1nc(C)c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITWHJOFOMZLYFK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2nc(C)c(S(=O)(=O)c3ccc(C(C)(C)C)cc3)n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNRGXYILVEUPJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1-c1nc(C)c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUPCSUIDCCDNR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1nc(C)c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIOPHIFJQXHPAF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRSXIPYPZGCEK-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATNWTNALCFDJK-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)=O)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYPBEGIASEWKA-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAUUYMXHIUAZCW-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJYVAFOVNSPBQ-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2cnc[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYAAMOMNSVKNMA-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMRSJVPLBREJKW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHAKEYVFFILBK-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1-c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUTYEKLZDSFKRV-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cl)cc1-c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSXRUTOEIGCNSN-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQELZXDBAVDHAB-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCESPZLZJPUOFA-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSCMPJMQCJJODS-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1ccccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZCDKJVYBQVULZ-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUTUKGCHBGPQTR-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cc(Cl)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEULWJSKCVACTH-UHFFFAOYSA-N", "SMILES:c1ccc(-n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKTXVRARNYCNV-UHFFFAOYSA-N", "SMILES:Clc1cccc(-n2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POIGXVYPRGOWQD-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVECTIQVQPUSEX-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUORQLHTYZCJV-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1-n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJZMVQTPJGNQC-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cl)cc1-n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLSXNXRQHHVPLS-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cl)cc1-c1cnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYMLZIFRPNYAHS-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYNSIUZTQULBK-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2nnc[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPCCOBUMDDPJG-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYMHNGVJCDTDPP-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1nnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYOCUPDGKCDGN-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1-c1nnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZNCOGLABONRN-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cl)cc1-c1nnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MARUHZGHZWCEQU-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEWPGUJZBDDKJ-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPUQYVARGFDCGZ-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUCGQKSPWMDAEX-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNIHEDBRUIXEU-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUSUUPIMJLVUGH-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cl)cc1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKGBRPNSJADMB-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cccnc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4847829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWUWXKYIUUICS-UHFFFAOYSA-N", "SMILES:Nc1ccc(Br)cc1-c1nc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKIKXZINVGPPC-UHFFFAOYSA-M", "SMILES:CN(C)c1ccc(/C=C/c2cc(/C=C3\\Sc4ccccc4N3CCCN3CCOCC3)c3ccccc3[n+]2C)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMJFYFIKJYJRF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(-c3nnn(CCN)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPKDNRSYHKLSG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnn(CCN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOMFFKZOZMBKD-UHFFFAOYSA-N", "SMILES:OCc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBUAUMVMHQORA-UHFFFAOYSA-N", "SMILES:NCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBABFDZOGBDCB-UHFFFAOYSA-N", "SMILES:NCCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEJCAGXTFKSKNZ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUVZKCBPBVSNW-LLVKDONJSA-N", "SMILES:C[C@H](CN)n1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQRQYPKTGXISV-LLVKDONJSA-N", "SMILES:C[C@@H](N)Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQANURZKWAQXDO-UHFFFAOYSA-N", "SMILES:O=C(O)CCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITQMAQLTSWAIKM-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVRNNKZLXJIKKA-AWEZNQCLSA-N", "SMILES:N[C@@H](Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURSKVUJDNYDPG-UHFFFAOYSA-N", "SMILES:O=C(O)CNCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSQILWJHLPJYGP-ZDUSSCGKSA-N", "SMILES:N[C@@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSQILWJHLPJYGP-CYBMUJFWSA-N", "SMILES:N[C@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOCXWYINTPLCHG-CYBMUJFWSA-N", "SMILES:N[C@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(F)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBJBMJVCOROOEO-CYBMUJFWSA-N", "SMILES:CCCCCOc1ccc(-c2nnn(C[C@H](N)CC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECSQXHYPKPHLE-MRXNPFEDSA-N", "SMILES:N[C@H](CC(=O)O)Cn1nnc(-c2ccc(OCCc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXEKRRRRNMXMJG-PBHICJAKSA-N", "SMILES:C[C@H](Cc1ccccc1)Oc1ccc(-c2nnn(C[C@@H](N)CC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJRINRJMOENDZ-KRWDZBQOSA-N", "SMILES:N[C@@H](CC(=O)O)Cn1nnc(-c2ccc(COCc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVHCOXOIUBKBEW-OAHLLOKOSA-N", "SMILES:N[C@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(-c4ncco4)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOCAXANSPDAXAZ-LBPRGKRZSA-N", "SMILES:N[C@@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3nc4ccccc4s3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOCAXANSPDAXAZ-GFCCVEGCSA-N", "SMILES:N[C@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3nc4ccccc4s3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMMCFXAIWSCKS-GFCCVEGCSA-N", "SMILES:N[C@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEGMEJVULDALSH-NSHDSACASA-N", "SMILES:N[C@@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEGMEJVULDALSH-LLVKDONJSA-N", "SMILES:N[C@H](CC(=O)O)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZMVFMJBAUXKB-LLVKDONJSA-N", "SMILES:COc1cnc(Oc2ccc(-c3nnn(C[C@H](N)CC(=O)O)n3)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJRINRJMOENDZ-QGZVFWFLSA-N", "SMILES:N[C@H](CC(=O)O)Cn1nnc(-c2ccc(COCc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCTYSQBVIGZRU-KRWDZBQOSA-N", "SMILES:O=C(O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOOKXDESAXLGB-BCDXTJNWSA-N", "SMILES:CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIFZKRGUGKLILR-NSCUHMNNSA-N", "SMILES:CC(=O)/C=C/c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4877898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEIPGIJFQXGIKC-HWKANZROSA-N", "SMILES:CCC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSRREFUCSCODC-GQCTYLIASA-N", "SMILES:CCCC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTADZTHHYCDWTC-FNORWQNLSA-N", "SMILES:CCCCC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHASQSQASBNKK-AATRIKPKSA-N", "SMILES:CC(=O)/C=C/c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSTWGFOJLFDBRO-VOTSOKGWSA-N", "SMILES:CCC(=O)/C=C/c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOZWDWPIUCUSN-BQYQJAHWSA-N", "SMILES:CCCC(=O)/C=C/c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYOWSPCDQFVOGI-CMDGGOBGSA-N", "SMILES:CCCCC(=O)/C=C/c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDJHNSPTJHUSO-UHFFFAOYSA-N", "SMILES:CCC(=O)CCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUJEKWENLCHAC-UHFFFAOYSA-N", "SMILES:CCCC(=O)CCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQLEGXILUJZKM-UHFFFAOYSA-N", "SMILES:CCCCC(=O)CCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVSOYOYAQWVGSA-UHFFFAOYSA-N", "SMILES:CC(=O)CCc1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYVHNITKPAYEC-UHFFFAOYSA-N", "SMILES:CCC(=O)CCc1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNEQRSCYKZLZJY-UHFFFAOYSA-N", "SMILES:CCCC(=O)CCc1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJNNDTUEFUEDZ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)CCc1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSJBXTXRKFSBV-PKNBQFBNSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)CCCCc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILSIDYMWWAJGM-UHFFFAOYSA-N", "SMILES:COc1ccc2ncn(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYWDVZBYMVLQLH-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(=O)n(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMZGIRIHACCTN-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(SC)n(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWHUOOPUIAFSB-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc(OC)cc2n1CCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKMTHQTYBZVLY-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(OC)n(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBRJFRSUAKOLC-UHFFFAOYSA-N", "SMILES:CCOc1nc2cc(OC)ccc2n1CCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZPNVPXLSHAHA-UHFFFAOYSA-N", "SMILES:COc1nc2ccc3c(c2n1CCNC(C)=O)CCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACDRXLLSQSDDRX-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc3c(c2n1CCNC(C)=O)CCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPBJJRBTBYILE-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc(OC)cc2n1CCNC(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYNCFBIMOPRBT-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCCn1c(OCC)nc2ccc(OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIZPRFMEEMOSNC-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIOYUWITBFJOES-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURORZYHZGDNML-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYQHXRSKHELJJ-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFHGGIRBVQLZHG-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc(OC)cc2n1CCNC(=O)c1cc(=O)cco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUUBTOCMWVXOP-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc(OC)cc2n1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRDNGSYVNSAEO-UHFFFAOYSA-N", "SMILES:CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVSLRGAPRGQWNC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Cl)nc(OC)n2CCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJOUELOCKKMZBA-UHFFFAOYSA-N", "SMILES:CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBXTAHNBAVPGY-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(OC)n(CCCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYSSQVBXXUIIGE-UHFFFAOYSA-N", "SMILES:CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGRBZRWEJGNQTA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Cl)nc(OC)n2CCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCUPSAHNNURAM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(ccc3cc(C(=O)O)c(=O)oc32)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFOGUCVJAXMZEF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(C(=O)O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMNLBGZBVHTJDM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(oc1=O)c(-c1ccccc1)cc1cc(C(=O)O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMQPAVILLUFNAX-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2c2cc(C(=O)O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSQXARDKZODQS-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNONOFMPWKREIC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHTOOJSTXDOXGL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(oc1=O)c(-c1ccccc1F)cc1cc(C(=O)O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRPABDXNNFWTFU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(oc1=O)c(-c1cccc(F)c1)cc1cc(C(=O)O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHLCWSKVVSXPNH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(oc1=O)c(-c1ccc(F)cc1)cc1cc(C(=O)O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYPPKYSYHPZRI-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGKUZJVVULIQQP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(oc1=O)c(-c1cccs1)cc1cc(C(=O)O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATAVZHJGKMSCBP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZXMQNKIZBOASB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPXXABRYCUHBX-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(ccc3cc(-c4nnn[nH]4)c(=O)oc32)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSWXFGCBRFIKCD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZARJDZEFFIBBM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(Br)c(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEWKQLPIXYESHB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(-c3ccccc3)c(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOHYFXUFWRSZAS-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVBNIUEKPUFNS-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATVSSJNVYMOKP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AURLBLPCECMPLX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(-c3ccccc3F)c(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNHVOIWGKRJALR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(-c3cccc(F)c3)c(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWKGUHAIQYHIIB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(-c3ccc(F)cc3)c(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDWXOGZMJHKNID-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXRCOYMKLCVFG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBKHPHEDINVQO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBLMKIMHBIVYMV-UHFFFAOYSA-N", "SMILES:Cc1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIRZFOBUDJXAR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNKSIGKORGPGKZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGUVDQXYAPRJC-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXEIGYMKOKMIOT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3306990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWZDAGMSVUJGI-UHFFFAOYSA-N", "SMILES:Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMUNUPSBFVDIGA-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXHLQZJSVCSRH-UHFFFAOYSA-N", "SMILES:Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMFYBSHBCPMBJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2sc3cc(C(=O)O)sc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235421", "category": ["biolink:ChemicalEntity"], "name": "PYRROLOQUINOLINE QUINONE", "xref": ["InChIKey:MMXZSJMASHPLLR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL150764", "category": ["biolink:ChemicalEntity"], "name": "BUFROLIN", "xref": ["InChIKey:BQVIONBNDNFCCP-UHFFFAOYSA-N", "SMILES:CCCCc1cc2c(=O)cc(C(=O)O)[nH]c2c2c(=O)cc(C(=O)O)[nH]c12"], "synonym": ["Bufrolin", "Bufroline", "Bufrolina", "ICI-74917"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3558475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBNMDLBBOZONBY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(=O)c2c(CCC(O)CCc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177880", "category": ["biolink:ChemicalEntity"], "name": "PAMOIC ACID", "xref": ["InChIKey:WLJNZVDCPSBLRP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL299155", "category": ["biolink:ChemicalEntity"], "name": "TRANSTORINE", "xref": ["InChIKey:HCZHHEIFKROPDY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(=O)c2ccccc2[nH]1"], "synonym": ["Kynurenic acid", "Transtorine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4870385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZCKLTWSXFDLLP-OGWOLHLISA-N", "SMILES:NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccn(Cc3cccc(Br)c3)n2)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIARJIHQHADQP-MHPKPXDFSA-N", "SMILES:Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)cc1C1OCCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRZVMYMQHNYJB-UNXOBOICSA-N", "SMILES:Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)cc1[C@@H]1NCCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQLKZTYUYIWDB-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMRDFLDWHFNOX-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWFJKIGLLSWFNV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYQCFUKLXJLGU-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBKLIARRJUTMTQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCc3ccc(C(=O)NO)cc3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXGDFSYMGTLHG-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCC(C(=O)NO)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEZOPHKGXCQKI-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCN(Cc4ccc(C(=O)NO)cc4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRSOLPMHTWMRJJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(Cc4ccc(C(=O)NO)cc4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBCTVJOKADNKNK-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCN(c4ccc(C(=O)NO)cc4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSACPLDXILRSSO-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCC(c4ccc(C(=O)NO)cc4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJYHTLDDPXNLS-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCc3ccc(-c4ccc(C(=O)NO)cc4)cc3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCHEQZFJVVVFL-QVYRIUEQSA-N", "SMILES:COc1cc2c(NCc3ccc([C@H]4CC[C@H](C(=O)NO)CC4)cc3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCHEQZFJVVVFL-HNRBIFIRSA-N", "SMILES:COc1cc2c(NCc3ccc([C@H]4CC[C@@H](C(=O)NO)CC4)cc3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYFRBDZTMNLFR-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(c4ccc(C(=O)NO)cc4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVPMIOYZZZPGFF-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc(C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTVIBMHPUDQIBD-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc(C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPYGATPBCJCPEJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc(-c3ccc(C)o3)nc2cc1OCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJFEVNAMKGVES-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBNOWXXHMKPULR-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(NC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTCVHZKOSVIIY-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(NCC3C4CCC3CN(c3ncc(C(=O)NO)cn3)C4)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIEVVDPSPBNVMH-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(NCc3ccc(C(=O)NO)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWCKQYBEFXDQE-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(NCC3CCC(C(=O)NO)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCNMWOJTQOUNTR-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(NCc3ccc(C(=O)NO)cn3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLKAVIIBQTAGX-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(NCC3CCN(Cc4ccc(C(=O)NO)cc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONKKHNZUKLQDK-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(NCC3CCN(Cc4ccc(C(=O)NO)s4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTQVLONAIKOZBJ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(NCC3CCN(C4CC(C(=O)NO)C4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAUZVWYKGPLFK-GASCZTMLSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(N[C@H]3CC[C@@H](C(=O)NO)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRMAMBVXWCJDE-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(NCC3CCN(c4ccc(C(=O)NO)cn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMGRXYCLENIEMO-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C)cc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBCBSHBZQHGIQA-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C3CCCCC3)cc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPMSHMBHAZMIA-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccccc3)cc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDGYAHWWYDMMLF-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCCCC3)cc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITJOEFMVQWOXCL-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3cc(C)oc3C)cc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTVLRUPQBBBASB-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)s3)cc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGOMCAFKVJNOA-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)nc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWLDWJBHEXGGHH-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCN(C4CCC(C(=O)NO)CC4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAUZVWYKGPLFK-SHTZXODSSA-N", "SMILES:COc1cc2nc(-c3ccc(C)o3)cc(N[C@H]3CC[C@H](C(=O)NO)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDAVMBMFBORGAD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2OCc2ccccc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROAWBJVIYCVHHK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2OCc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXYLQIDJSFWNZ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccccc2OCc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSLOJSORYHKEJP-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCc2ccccc2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEUFGJQUVDKHST-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(Cc2ccccc2)nc(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXCVJESJJFPBNT-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCc2ccccn2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUQGANYMFKALLD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(=O)NC3CC3)cc(Cc3ccccc3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZVLEUYPQRNNJB-AWEZNQCLSA-N", "SMILES:CCNC(=O)c1ccc(O[C@@H](C)c2ccccc2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESWCVIUMAWTOL-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCC2CCOCC2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZVLEUYPQRNNJB-CQSZACIVSA-N", "SMILES:CCNC(=O)c1ccc(O[C@H](C)c2ccccc2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOBRVIMTBRWTB-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCc2ccncc2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUBIXNWTOJAAC-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCc2ccccc2OC)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOZIXDWIXFYKMV-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCc2cccc(OC)c2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHMNHTWKYVWIBK-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCc2ccc(OC)cc2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUOTMULUBCHII-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCc2cccc(C)n2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUJZEZKATYFIW-ZDUSSCGKSA-N", "SMILES:CCNC(=O)c1ccc(O[C@@H](C)c2ccccn2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBUMJLLHXVVLB-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(Cc2ccccc2OC)nc(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSFZDMQQPFAGD-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(Cc2ccccc2F)nc(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVJFBBZXWYKMFW-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(Cc2cccc(F)c2)nc(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQWBHASCAMJDPO-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(Cc2ccc(F)cc2)nc(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMRGZLSUKMQOD-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(Cc2cccc3[nH]ccc23)nc(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMXRSLCBJGXWEG-NSHDSACASA-N", "SMILES:C[C@H](Oc1ccc(C(N)=O)cc1-c1cn(C)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCQAWUMEIEFAA-LBPRGKRZSA-N", "SMILES:CNC(=O)c1ccc(O[C@@H](C)c2ccccn2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTLLKKOHPKDCSW-ZDUSSCGKSA-N", "SMILES:C[C@H](Oc1ccc(C(=O)NC2CC2)cc1-c1cn(C)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWBAIMBUXVDTQE-OYSHDIIGSA-N", "SMILES:C[C@H](Oc1ccc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1-c1cn(C)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSFKBXTCNFICI-HNNXBMFYSA-N", "SMILES:C[C@H](Oc1ccc(C(=O)NC2CCOCC2)cc1-c1cn(C)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYDJMSNAHOLOGV-INIZCTEOSA-N", "SMILES:C[C@H](Oc1ccc(C(=O)NCC2CCOCC2)cc1-c1cn(C)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMOZQANGITUKCB-SZMVWBNQSA-N", "SMILES:C[C@H](Oc1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1-c1cn(C)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIXUVHPFMARONI-FUHWJXTLSA-N", "SMILES:C[C@H](Oc1ccc(C(=O)NCC[C@@H]2CNCCO2)cc1-c1cn(C)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIXUVHPFMARONI-WMZOPIPTSA-N", "SMILES:C[C@H](Oc1ccc(C(=O)NCC[C@H]2CNCCO2)cc1-c1cn(C)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXNGLXEUAFTKB-BVZFJXPGSA-N", "SMILES:C[C@H](Oc1ccc(C(=O)NCCC[C@@]2(F)CCCNC2)cc1-c1cn(C)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHQUTFHEUWTKHK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(N)=O)cc(Cc3ccccc3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBQGWUHAHQGBR-YRWFTTLQSA-N", "SMILES:Cn1cc(-c2cc(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)cc(Cc3ccccc3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDSIISSBNGTTK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(=O)NC3CCOCC3)cc(Cc3ccccc3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDVZLKVJBJRCT-LJQANCHMSA-N", "SMILES:Cn1cc(-c2cc(C(=O)NCC[C@@H]3CNCCO3)cc(Cc3ccccc3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDVZLKVJBJRCT-IBGZPJMESA-N", "SMILES:Cn1cc(-c2cc(C(=O)NCC[C@H]3CNCCO3)cc(Cc3ccccc3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVIRZDBCBAWQE-QFIPXVFZSA-N", "SMILES:Cn1cc(-c2cc(C(=O)NCC[C@@]3(F)CNCCO3)cc(Cc3ccccc3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFODZZERZPJFE-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(=O)NCCCC3CCNCC3)cc(Cc3ccccc3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSBOQPNAEBOCDQ-DEOSSOPVSA-N", "SMILES:Cn1cc(-c2cc(C(=O)NCCC[C@@]3(F)CCCNC3)cc(Cc3ccccc3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGQGYYIFCHHRA-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccccc2OCc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPTNHLPXAAOUPO-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2OCc2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXMOELOCWDQQJ-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCCc2ccccc2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYFPCUDOWNNWNO-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCc2cccnc2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YACUGZNGHPKJSX-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(OCc2ncccn2)c(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZSSCYPZAVNPSH-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(Cc2cccc(OC)c2)nc(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSKGZNVAEMRWHN-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(Cc2ccc(OC)cc2)nc(-c2cn(C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWCQZFHNCBKPPF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(=O)NCC3CCOCC3)cc(Cc3ccccc3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYACUAIJLXSDB-YGCWAPBFSA-N", "SMILES:COc1cccc([C@@H](CCc2ccc(OC)c(OC)c2)OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HANZAPZKUAFCGC-YGCWAPBFSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZSLPRWNYBWRS-LSFNHRITSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGOZUOJTJYDDMS-YBMMQTEXSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OC/C=C/COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGOZUOJTJYDDMS-LMRHAXCESA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OC/C=C\\COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJGELWAXUTIEU-TWBLSBBDSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQYMGEZWICPCQG-TWBLSBBDSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCC(=O)COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDSFPLSNACCRE-QQIJZFFGSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCC(O)C(O)COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJICCQJQZUCWHW-LCWXHYGYSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCC/C=C/COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJICCQJQZUCWHW-GTKPNJOPSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCC/C=C\\COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOZMVUXPQMRQOL-KLBQNTFLSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCCCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPYBQRKSBXYSJ-SGYAFFFDSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCOC/C=C/COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPYBQRKSBXYSJ-QCXYFFPESA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCOC/C=C\\COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVGANOCGSMMAJ-FMXQOUBESA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCOCCCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMULMJBGRBWPBD-HGTNHFRLSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCCOC/C=C/COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQNKNFGAZQZLQ-FDHYQTMZSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(c(OC)c3)OCCCOCCCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIIGIQJIDFAGKZ-YGCWAPBFSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXXZRRJFTVQCB-LSFNHRITSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDUCBUBAJQQVOX-YBMMQTEXSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OC/C=C/COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXQVEDVUWHACDP-TWBLSBBDSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOGWFMMFBPZTI-TWBLSBBDSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCC(=O)COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMMZNLFAOHLXKG-NXKLTUDVSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OC[C@@H](O)[C@H](O)COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMMZNLFAOHLXKG-MVTSDCAPSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OC[C@H](O)[C@@H](O)COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBURQPQNUVSQHI-LCWXHYGYSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCC/C=C/COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBURQPQNUVSQHI-GTKPNJOPSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCC/C=C\\COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNJECWRDDBTHD-KLBQNTFLSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCCCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHPLQZSHAKNOLI-KLBQNTFLSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCC(=O)CCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJMFMVTYZITGI-KLBQNTFLSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCCC(=O)COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUBVJRWQJBYNY-SGYAFFFDSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCOC/C=C/COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUBVJRWQJBYNY-QCXYFFPESA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCOC/C=C\\COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGPIDRAHNFBAN-FMXQOUBESA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCOCCCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCMRSFHPJYIPB-FMXQOUBESA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCOCC(=O)CCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVMHCAVVOAVDP-ZCBFIPOHSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCCOC/C=C\\COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWZDMYVESVBPLA-FDHYQTMZSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OCCCOCCCCOc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEQZPFWOEOOISR-AKTKKGGCSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3648354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIXNWQVVFDFZFS-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1CCc2ccc3ncoc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3648355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRUCMHMQXUZAT-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1CCc2ccc3nc(C)oc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3648356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRUCMHMQXUZAT-LBPRGKRZSA-N", "SMILES:CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3648357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRUCMHMQXUZAT-GFCCVEGCSA-N", "SMILES:CC(=O)NCC[C@H]1CCc2ccc3nc(C)oc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3648365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPHYUVXAUQDEU-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc3c(c2o1)C(CCNC(C)=O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3648366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHYLEDFZPNVEME-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1CCc2ccc3nc(C4CC4)oc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUUWTMMTQWKDZ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1CCc2ccc3nc(-c4ccccc4)oc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPKUNCVRHYVFS-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1CCc2ccc3nc(Cc4ccccc4)oc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3648367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYWXBNWGKSZHFA-UHFFFAOYSA-N", "SMILES:COc1nc2ccc3c(c2o1)C(CCNC(C)=O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMZWSKKOJHNCV-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1CCc2ccc3nc(CO)oc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3648358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROBZLKCLLSHNV-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCC1CCc2ccc3nc(C)oc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3648362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDFVYDLICOGWLH-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1CCc2ccc3nc(C)sc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNCVEJDIUFDQY-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCC1CCc2ccc3nc(C)sc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNOYRKHBFXIKQK-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1CCc2ccn3nc(C)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOWDCBZQWXMMN-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1CCc2ccn3nc(C)c(C)c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IULOZOSYELFQOY-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCC1CCc2ccn3nc(C)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQXIGSXDTKGTRB-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1CCc2ccc3nn(C)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSVWAZKYXRLSCN-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCC1CCc2ccc3nn(C)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKPTYVBUHPMNZ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3ccccc3)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBRBOGNUVFIBBN-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJLYXQNBFDBGKZ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXOVFYCGMDKLOO-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILCEGXKFFVNSH-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(F)c3)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOBQFXMBXFCEL-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXHJEYYFHYUGQ-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(C(=O)CCC3NC(=O)NC3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZYGFNUYHKPOCL-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(-c4ccccc4)c3)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCDMUMSDFCTSR-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cccnc3)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSKYBQWGBFYCDK-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YINSFKOGVSNIAY-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCALBSIHBKKCQ-UHFFFAOYSA-N", "SMILES:CC1(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMNTQYJUROELB-UHFFFAOYSA-N", "SMILES:CC(C)C1(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZEOXTMGYZKQHV-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZCHHZBVARYTFA-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(C2CCC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPSVYQVAGCHMF-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWGLLJXXSHYVOK-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(c2cccnc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWOUTWIECTKOD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)CCC2(c3ccccc3)NC(=O)NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKXQJIMZIXMNMR-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBHJPNFVKYDOX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1N1CCN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYQZHRISWNRPRD-UHFFFAOYSA-N", "SMILES:CC1(CCC(=O)N2CCN(c3ccccc3)CC2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKHSLFTWKBHHX-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)CCC2(C)NC(=O)NC2=O)CCN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMYXSGQAMRBSA-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCCN(c3ccccc3)CC2)(c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYQNGRWJSISOS-PVCZSOGJSA-N", "SMILES:C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYQNGRWJSISOS-QMRFKDRMSA-N", "SMILES:C[C@@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEUURMBUUDUGB-SVZXGPMESA-N", "SMILES:C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZGFJNCYMGRZKS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCC(c3cc(Cl)cc(Cl)c3)CC2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGABQNPHDLBFSJ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCC(c3ccccc3)CC2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXKLSQBNZASBCG-UHFFFAOYSA-N", "SMILES:CC1(c2ccccc2)CCN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDSUPDKAQCEGJU-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CC3CCC(C2)N3c2ccccc2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZABNIPHQNPKB-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)(c2ccccn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFMYEKYZWQZLV-XLEXHMCLSA-N", "SMILES:C[C@H]1CN(C(=O)CCC2(c3ccccn3)NC(=O)NC2=O)CCN1c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABWDXKLHPEEBX-SZQRVLIRSA-N", "SMILES:C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTMEJOXAUSTDY-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)(c2ccccn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECKJJDCDPVTTO-XLEXHMCLSA-N", "SMILES:C[C@H]1CN(C(=O)CCC2(c3ccccn3)NC(=O)NC2=O)CCN1c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMNHVVTOKEKOE-UHFFFAOYSA-N", "SMILES:CC1(CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSVBNSBXWVDTE-UHFFFAOYSA-N", "SMILES:CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKVQIVVYRSCJP-UHFFFAOYSA-N", "SMILES:CC(C)C(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKXLEZLEFHFJV-UHFFFAOYSA-N", "SMILES:CC1(CC(CO)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBQNFIXICFYDBT-UHFFFAOYSA-N", "SMILES:COCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKYYWBHSYPIJKC-BYVOGVQKSA-N", "SMILES:C[C@@H](C[C@@]1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2ccc(F)c(F)c2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJRBIZNZOPPPEC-BBATYDOGSA-N", "SMILES:C[C@H]1CN(C(=O)CC[C@@]2(C)NC(=O)NC2=O)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWOUTWIECTKOD-QHCPKHFHSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)CC[C@@]2(c3ccccc3)NC(=O)NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YINSFKOGVSNIAY-CYBMUJFWSA-N", "SMILES:O=C1NC(=O)[C@@H](CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)N1"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 1", "xref": ["CHEMBL.TARGET:CHEMBL5133"], "id": "UniProtKB:Q9UHI8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 4", "xref": ["CHEMBL.TARGET:CHEMBL2318"], "id": "UniProtKB:O75173", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Disintegrin and metalloproteinase domain-containing protein 9", "xref": ["CHEMBL.TARGET:CHEMBL5982"], "id": "UniProtKB:Q13443", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 5", "xref": ["CHEMBL.TARGET:CHEMBL4879523"], "id": "UniProtKB:Q9R001", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859268", "category": ["biolink:ChemicalEntity"], "name": "AGG-523", "xref": ["InChIKey:JWQMTWCFNZSLNR-DEOSSOPVSA-N", "SMILES:CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)cc1"], "synonym": ["Agg-523", "PF-05212371", "PF-5212371", "WAY-266523"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDRCRROFSMSFED-AQBKOUMTSA-N", "SMILES:CC1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(nc3cc(F)ccn23)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZOIJPKAYSPERT-UHFFFAOYSA-N", "SMILES:CCCNc1nc(NCc2nccn2C)nc(N2CCCC2CNS(=O)(=O)c2ccc(CCC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOUEQAOHDTLPY-KXBFYZLASA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)[C@@H](Cc2ccc(C(F)(F)F)cc2)C2CC2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBBOHKBFZOTOSW-BGTOTAHLSA-N", "SMILES:CC(C)=CCC[C@@H](C)[C@@H]1CC[C@](C)(O)[C@@H]2CC=C(C)[C@H]2[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4875952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYNJEVIYLYICV-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVRZYRSNHFXGE-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XARXEJJIZIDVRP-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZZXQASMLXPKFY-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZQXZQRRRNTYIJ-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CCCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJIYYNAOAZQNT-UHFFFAOYSA-N", "SMILES:NCCCCCC1(C(=O)O)CCCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAYYIGFIHMZQCZ-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CCCCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGLSNXWEACUTA-UHFFFAOYSA-N", "SMILES:NCCCCCC1(C(=O)O)CCCCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZGRPJDDVVMQLZ-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CCCCCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMULMHHDRFZRDX-UHFFFAOYSA-N", "SMILES:NCCCCCC1(C(=O)O)CCCCCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQXSHRZLZSFOX-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CCCCCCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHOABYGHHQAXAK-UHFFFAOYSA-N", "SMILES:NCCCCCC1(C(=O)O)CCCCCCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKJIFLVZYLYOAK-UHFFFAOYSA-N", "SMILES:NCCCCCC1(C(=O)O)CCCCCCCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRVDUNGIGAHRC-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccccc2)CCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPSAJWTCSGNMX-UHFFFAOYSA-N", "SMILES:NCCCCCC1(C(=O)O)CN(Cc2ccccc2)CCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSVXALGZJWZDW-INIZCTEOSA-N", "SMILES:NCCCC[C@@]1(C(=O)O)CN(Cc2ccccc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSVXALGZJWZDW-MRXNPFEDSA-N", "SMILES:NCCCC[C@]1(C(=O)O)CN(Cc2ccccc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWYIPXCIDKTXAY-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CC(Cc2ccccc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYGSVSENJFZFI-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CNCCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJSIOCTVDRGGF-UHFFFAOYSA-N", "SMILES:CCCCCN1CCP(=O)(O)C(CCCCN)(C(=O)O)C1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOTFJHNLCQTIEX-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(CCc2ccccc2)CCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWJYYQOJGKUZDS-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2cccnc2)CCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTFNRHVYOETOJ-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccccn2)CCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHUTWXDCZGPHKX-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccco2)CCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYVWYLTVVVTBB-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccoc2)CCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUTGTRXBOUVQLS-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccsc2)CCP1(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXOKEWONEPPFLB-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCP(=O)(O)C(CCCCN)(C(=O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSUUUMUOBONAG-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccc(O)cc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPMVFZPVAJMUAF-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccc(Cl)cc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMKCJYHJMQMBX-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2cccc(Cl)c2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDZLUBDITWWUHN-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccccc2Cl)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGDVCHLKUNYCG-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccc(F)cc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYJPJVPEHYANHW-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccccc2F)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNAZQAXWAOANT-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccccc2Br)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZBHVEYERYTMRS-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccccc2-c2ccccc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZARDBEAQXXDVBK-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccccc2-c2cccnc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNESMYMKIXRGDJ-UHFFFAOYSA-N", "SMILES:NCCCCC1(C(=O)O)CN(Cc2ccccc2-c2cncnc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVHRAGMQIMFUSI-QFIPXVFZSA-N", "SMILES:COc1ccc(-c2ccccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUPWHEVNFCKRAD-FQEVSTJZSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1-c1ccccc1CN1CCP(=O)(O)[C@](CCCCN)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDVFKVEPYQVEW-QFIPXVFZSA-N", "SMILES:NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(O)cc2-c2ccccc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBCOTJUTZGERNO-QFIPXVFZSA-N", "SMILES:NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(Cl)cc2-c2ccc(Cl)cc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUVQYNFUWURBHA-QFIPXVFZSA-N", "SMILES:NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPACBMICGZNQY-FQEVSTJZSA-N", "SMILES:NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZBBTYWRMKWFCQ-QHCPKHFHSA-N", "SMILES:Cc1ccc(-c2cc(F)ccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEJKEWIWGSFZML-QHCPKHFHSA-N", "SMILES:COc1ccc(-c2cc(F)ccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODYNRMOUMKLRNU-QHCPKHFHSA-N", "SMILES:COc1ccc(-c2cccc(F)c2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNZYBADSYJRIF-DEOSSOPVSA-N", "SMILES:COc1ccc(-c2cc(F)ccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWZIBATIOSFOY-FQEVSTJZSA-N", "SMILES:Cn1cncc1-c1cc(F)ccc1CN1CCP(=O)(O)[C@](CCCCN)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOBHVDVMWMQBZ-QHCPKHFHSA-N", "SMILES:Cc1ccc(-c2ccccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INZUEVYWWWDHQJ-NRFANRHFSA-N", "SMILES:NCCCC[C@@]1(C(=O)O)CN(Cc2ccccc2-c2cc[nH]c(=O)c2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUXJXQMEZGSJX-NRFANRHFSA-N", "SMILES:NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(F)cc2-c2cc[nH]c(=O)c2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABDCNJFCWMHTN-QFIPXVFZSA-N", "SMILES:COc1ccc(-c2cc(F)ccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGWEXGSAKEIOF-NRFANRHFSA-N", "SMILES:Cc1ncc(-c2ccccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKBNFMKTKDYIO-NRFANRHFSA-N", "SMILES:Cc1ncc(-c2cc(F)ccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZOJHDJCDNSHK-NRFANRHFSA-N", "SMILES:NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(F)cc2-c2cccnc2)CCP1(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXYVYGDOWYRAL-QFIPXVFZSA-N", "SMILES:NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(F)cc2-c2ccc(Cl)cc2)CCP1(=O)O"]}
{"name": "Carboxypeptidase B", "xref": ["CHEMBL.TARGET:CHEMBL2552"], "id": "UniProtKB:P15086", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carboxypeptidase N catalytic chain", "xref": ["CHEMBL.TARGET:CHEMBL4713"], "id": "UniProtKB:P15169", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carboxypeptidase B2", "xref": ["CHEMBL.TARGET:CHEMBL4879512"], "id": "UniProtKB:Q9EQV9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYCENBZIMIWTM-KGSXXDOSSA-N", "SMILES:CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CCC(C)C)c4)c(=O)oc3c2C)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEYPKKXPKNPIS-UHFFFAOYSA-N", "SMILES:Cc1c(O)ccc2c(O)c(NC(=O)c3ccc(O)c(CCC(C)C)c3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRQFNAPCFNBQNE-UHFFFAOYSA-N", "SMILES:Cc1c(O)ccc2c(O)c(NC(=O)c3cccc(CCC(C)C)c3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPIRBZPDSLMOJS-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNOCRBNVDOREFL-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXCUPDROBFVVPR-UHFFFAOYSA-N", "SMILES:CCCc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSAZVWBWQBMRQS-UHFFFAOYSA-N", "SMILES:CCCCc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPWMECWSEIJTHJ-UHFFFAOYSA-N", "SMILES:CCCCCc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOAFPCQOHXMWQD-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(O)c2ccc(O)cc2oc1=O)c1cccc(CCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFHJZQRKXGDGFG-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLVQARPQTDKRJO-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(O)c2ccc(O)cc2oc1=O)c1cccc(CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQCRVOONNUHMMZ-UHFFFAOYSA-N", "SMILES:CC(C)CSc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKCGWJFCSJXCY-UHFFFAOYSA-N", "SMILES:CCSc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSNZSGWIGQEXLD-UHFFFAOYSA-N", "SMILES:CCCSc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVURFZPTAVTFHF-UHFFFAOYSA-N", "SMILES:CCCCSc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEYRAOXFDZMXLC-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(O)c2ccc(O)cc2oc1=O)c1cccc(SCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDLIFGMOJLHET-UHFFFAOYSA-N", "SMILES:CC(C)Sc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AENCLCCOMNHHHW-UHFFFAOYSA-N", "SMILES:CC(C)CS(=O)(=O)Nc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSKDCNSHXTTQH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEMWBHJSSHBRNQ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOJTXOCBNIDXOG-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSLVDHMVWZDRGC-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOAAOASLEFCQCZ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)Nc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRZGFBLUDGDMQ-UHFFFAOYSA-N", "SMILES:CCOc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCSNQZWUWBKFRL-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJTLJARLFGXAOZ-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOAQYXZKGPQWLX-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(O)c2ccc(O)cc2oc1=O)c1cccc(OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRXWCQDRZRIFKK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIQYQRKNGHCGTO-UHFFFAOYSA-N", "SMILES:C=CCOc1cccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAUUOTIMIAXMHJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(O)c2ccc(O)cc2oc1=O)c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTWQFSQFOVBVMV-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(O)c2ccc(O)cc2oc1=O)c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLPRMBORELNQFX-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFCVTNAFJVETN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)cc1CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDLVYORZVQDQA-UHFFFAOYSA-N", "SMILES:CC(C)CCc1ccccc1C(=O)Nc1c(O)c2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCKVBDQPZSETA-QMMMGPOBSA-N", "SMILES:C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVIBTQCZJTMNA-ZDUSSCGKSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CANBJKNJVYMODO-ZDUSSCGKSA-N", "SMILES:CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEAULLCUBVRART-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(-c4cccc5ccccc45)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLAZIQIUUKBWAS-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(-c4ccccc4-c4ccccc4)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCXGRDIUOQODOY-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(-c4ccc(C(=O)O)cc4)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQSOMQDKWDUHZ-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(-c4cccc(C(=O)O)c4)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNAYHKQQSTDGQ-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(-c4ccnn4Cc4ccccc4)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWCZJHOUNPGIBE-UHFFFAOYSA-N", "SMILES:CCn1nccc1-c1ccc2c(O)c(NC(=O)c3cccc(CCC(C)C)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSROPRVBFIMNDK-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(-c4ccnn4C)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPXALUNLXHQBT-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(NS(=O)(=O)CCc4ccccc4)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOSAWWSLUZQAF-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(NS(=O)(=O)Cc4ccccc4)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCKXKVCYJBWRCJ-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(NS(=O)(=O)CC(C)C)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOLEABRHPFKAG-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(NS(=O)(=O)c4ccccc4)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYZMJKWWOCAKCO-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc3c(O)c(NC(=O)c4cccc(CCC(C)C)c4)c(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSIWLDPEQXZIP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1S(=O)(=O)Nc1ccc2c(O)c(NC(=O)c3cccc(CCC(C)C)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQWQODSFANGQBN-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFROEYDGQOTIG-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(NC(=O)CCC(=O)O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQZWVDVNGPAWMV-UHFFFAOYSA-N", "SMILES:CC(C)CCc1cccc(C(=O)Nc2c(O)c3ccc(NC(=O)CCCC(=O)O)cc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRCITXWQNKGKT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(O)c(NC(=O)c3cccc(CCC(C)C)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JODCQKTVDXZQEP-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487005", "category": ["biolink:ChemicalEntity"], "name": "SCALARADIAL", "xref": ["InChIKey:ADWFEADZGIHPDE-QGERINELSA-N", "SMILES:CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)[C@H](C=O)[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4176916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTOXAAOXBALFX-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc2c1NC(c1c[nH]nc1-c1cccc3ccccc13)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOERTJPEDOUEDS-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGCPSYTABFABO-NTCAYCPXSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEAGSIEZGUIMX-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1ccc(-c2cccc(F)c2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTXSEXSQMSUEG-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXPPMAGFWDUHJF-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQUPLJMLAKQTEG-WYMLVPIESA-N", "SMILES:CCCCCc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYKDKENSBSCWCU-WYMLVPIESA-N", "SMILES:CCCCCc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKFEGDJHCPIKY-MDWZMJQESA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccc(Br)cc1C(=O)O"]}
{"name": "Transient receptor potential cation channel subfamily M member 1", "xref": ["CHEMBL.TARGET:CHEMBL4879460"], "id": "UniProtKB:Q2TV84", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPCBYPWSQJQJFX-BUHFOSPRSA-N", "SMILES:Cc1cc(-c2ccccc2)ccc1/C=C/C(=O)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFLVBMDCWHXCID-WYMLVPIESA-N", "SMILES:Cc1cc(/C=C/C(=O)Nc2ccccc2C(=O)O)ccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGFPDCCEYPMIN-NTCAYCPXSA-N", "SMILES:Cc1ccccc1-c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGYJUARSXCPHT-NTCAYCPXSA-N", "SMILES:COc1ccccc1-c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUVZAWWSWYWOFR-SDNWHVSQSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccccc2F)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAAFRQMHKIXMFV-SDNWHVSQSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccccc2C(F)(F)F)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMUEATZALOQES-SDNWHVSQSA-N", "SMILES:Cc1cccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYTZNNXUBMEKP-SDNWHVSQSA-N", "SMILES:COc1cccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IALHEPCYGOFYJL-XNTDXEJSSA-N", "SMILES:Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTYLDIHMFVUPI-OVCLIPMQSA-N", "SMILES:COc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYWPBHYWUSIGA-VGOFMYFVSA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCPYTWXAPZIGS-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1ccc(-c2cccc(Cl)c2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMWHTKJQUFRFB-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1ccc(-c2cccc(Br)c2)cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMSOTIKRYXTOG-LFIBNONCSA-N", "SMILES:CCc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBCOLVQADFBBLD-CXUHLZMHSA-N", "SMILES:CC(C)c1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGIODZLCPPBYCG-LICLKQGHSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURHCKNORPUZFU-CCEZHUSRSA-N", "SMILES:CCCCCc1ccc(/C=C/C(=O)c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOELXJWPWNNTHY-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGFVRXPDHHNMFR-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(NC(=O)c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWCIZVNTJIEMGD-BUHFOSPRSA-N", "SMILES:CCCCCc1ccc(/C=C/C(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUKLPUHTKRKQC-SOFGYWHQSA-N", "SMILES:Cc1ccc(C(=O)O)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVRLENDPJNLQHA-ZHACJKMWSA-N", "SMILES:CCCCCc1ccc(/C=C/C(=O)Nc2cc(F)c(F)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDVFITMPFHDRBZ-JLHYYAGUSA-N", "SMILES:CCCCCc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRDRACFSSVARK-MDWZMJQESA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cc(Cl)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHRXBADIGCMBC-JLHYYAGUSA-N", "SMILES:CCCCCc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIWWZNUDRQVYHY-MDWZMJQESA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSHXNZOCAVSQA-MDWZMJQESA-N", "SMILES:O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDOZMPZYSPMZHW-QPJJXVBHSA-N", "SMILES:O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDDMEFZHCWVDIJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PREDFJJTVISLLW-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKENJQXYCQBEKR-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHGWQGVYBHAFU-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKEVMHCNAUYWOE-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGWMBJTFZMJLA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1oc(CCC(=O)O)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMKXNRCKDSIDTJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2oc(CCC(=O)O)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXGMWMTHFUXOJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2oc(CCC(=O)O)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXXPIVBPKZWHN-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2Cl)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWVYALRLBPVAQJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2cccc(Cl)c2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWAPUVOQMUFQBF-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOUFJSYAYBQKR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc(CCC(=O)O)oc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFOCXDQTWOYNIO-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(CCC(=O)O)oc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBHHTGMVHZVMPM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(CCC(=O)O)oc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLLYLYAWTGEXCF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2oc(CCC(=O)O)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVMOMWXCFUSTCG-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2cccc(C(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKOESCDAUXPJB-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2cccc(Cl)c2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKWXXMRTHWWKC-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBKLGOJIXFSTI-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2cc(Cl)cc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEMCBTCUOBQROQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2cc(Cl)ccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLZNGFUUTCVSOM-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVACAVHVLFVJTI-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2cc(Cl)cc(Cl)c2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTIDXJZACIITNE-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVWUMHZBINFJDG-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccc(Cl)cc2)c(-c2cc(Cl)cc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVQNMAAVLNGILD-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1nc(-c2ccccc2)c(-c2cc(Cl)cc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWKJMXOQVCLBAD-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2cc(F)cc(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPVYYZNUXXZUPG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2oc(CCC(=O)O)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQOHHNGUXKESF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(-c2oc(CCC(=O)O)nc2-c2ccccc2)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMMWBOHSOIDNLP-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc(-c2ccccc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNRYFELIUOQAJQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUHLIOHHAIAQS-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEYNERJHNRFHT-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPQCQKZAXMGYJZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFFSNVDXWHLII-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2nc(CCC(=O)O)cc2-c2cc(Cl)cc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYESPZCLTZVXQF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(CCC(=O)O)cc2-c2cc(Cl)cc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFHUNGNFEGORNW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(CCC(=O)O)cc2-c2cc(Cl)cc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAANFZMNIGINLC-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXFMKDDQVDRQF-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAAUESYUFSCCBA-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMZWEZMMEBJPOE-LBPRGKRZSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3[nH]c(-c4cnn(CC)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZTVMQMWAPLTFI-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnn(CC)c2C)n3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRHMXJOWXZBWSP-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnn(CC)c2C)n3CC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZIQWCCWCHYCEF-HNNXBMFYSA-N", "SMILES:CCCn1c(-c2cnn(CC)c2C)nc2c(N[C@H]3CCN(C(=O)CC)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRKYDNIAJQCRU-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnn(CC)c2C)n3CC(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCBPUDKPAGUQX-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnn(CC)c2C)n3CC(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBSOUPYAJQRQL-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnn(CC)c2C)n3C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXNVOUZYTLIMNT-INIZCTEOSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnn(CC)c2C)n3CC2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJLCTNLDTWEAZ-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2ccn(CC)c2C)n3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYWNNJZSJFFME-LBPRGKRZSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnc(C(C)(C)C)s2)n3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFVNWFNFIMJELY-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnc(C)nc2)n3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXLMLFBCFQVPOP-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnc(C)nc2)n3CC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFTOGWFFCBAIPK-HNNXBMFYSA-N", "SMILES:CCCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)CC)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDEGVBQMIAIWOQ-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2ccc(C)nc2)n3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCAMWSYZLZOTEU-LBPRGKRZSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2ccc(C(F)(F)F)nc2)n3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATTKZOOKGHERIB-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2ccc(OC)nc2)n3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRQGEFWPVTBSK-LBPRGKRZSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnc(OC)c(F)c2)n3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXVPESHRNAPDT-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3c2nc(-c2cnc(OC)c(C)c2)n3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DADGJAZOHPBTCZ-HNNXBMFYSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)C4CC4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKLHCMCSZHFUHY-HNNXBMFYSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(O[C@H]3CCN(C(=O)C4CC4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHUINFRYGKMQX-INIZCTEOSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)C4CCC4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATSAMRSGNEIGC-INIZCTEOSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(O[C@H]3CCN(C(=O)C4CCC4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLYFIWBHHZOKV-BHYGNILZSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)[C@H]4C[C@@H](OC)C4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBGQWHXLHTRIR-BHYGNILZSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(O[C@H]3CCN(C(=O)[C@H]4C[C@@H](OC)C4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAVCMBWGOQWRF-HNNXBMFYSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)C4CC(F)(F)C4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZAOLJRNHMCVOG-HNNXBMFYSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(O[C@H]3CCN(C(=O)C4CC(F)(F)C4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCSXLTZDJYWYOE-HNNXBMFYSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)N4CC(OC)C4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYBLTNKIICECT-HNNXBMFYSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(O[C@H]3CCN(C(=O)N4CC(OC)C4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REKZULRBVKCCEI-KRWDZBQOSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)C4CCOCC4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQCPBYZODMZDKG-KRWDZBQOSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(O[C@H]3CCN(C(=O)C4CCOCC4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIGUHLRPVFFTQD-AWEZNQCLSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)c4cocn4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDNUYQEEDHPIM-AWEZNQCLSA-N", "SMILES:CCn1c(-c2cnc(C)nc2)nc2c(O[C@H]3CCN(C(=O)c4cocn4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQSZXODZGWENSO-AWEZNQCLSA-N", "SMILES:CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(N[C@H]3CCN(C(=O)C4CC4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSNHBBRYLWUGKQ-AWEZNQCLSA-N", "SMILES:CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(O[C@H]3CCN(C(=O)C4CC4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXAZJAYXDSNEPR-HRCADAONSA-N", "SMILES:CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(O[C@H]3CCN(C(=O)[C@H]4C[C@@H](OC)C4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYSIVBLSXQKNP-AWEZNQCLSA-N", "SMILES:CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(O[C@H]3CCN(C(=O)N4CC(OC)C4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSYHMHXVQSGPJ-LOACHALJSA-N", "SMILES:CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(O[C@H]3CCN(C(=O)C4CCOC4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUDOLHHNHVADW-ZDUSSCGKSA-N", "SMILES:CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(O[C@H]3CCN(C(=O)c4cocn4)C3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBTPIFQNEKOAIM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL851", "category": ["biolink:ChemicalEntity"], "name": "PHENYL PROPIONIC ACID", "xref": ["InChIKey:XMIIGOLPHOKFCH-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4849223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFJVGSCNHVIEZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83148", "category": ["biolink:ChemicalEntity"], "name": "PHENYL(PHENYLSULFONYL)AMINE", "xref": ["InChIKey:XAUGWFWQVYXATQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccccc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1452067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRHJWSCCVQIJAK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRTPAOVVVLZLDP-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYBGNHUFINBGA-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(N)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICYXOJLBPZQGF-UHFFFAOYSA-N", "SMILES:O=C(C1CCCCC1)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLZQCAXQZDRQH-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCOc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXQHRUJXQJEGER-UHFFFAOYSA-N", "SMILES:Cn1nnc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4879253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBZLCUTOUZMLJ-UHFFFAOYSA-N", "SMILES:COc1cccc2nn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGEXWIXKBVKDNF-UHFFFAOYSA-N", "SMILES:COc1cc(C(CC(=O)O)c2ccccc2)cc2nnn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOFLYUKBUGVGJT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ccccc2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITZSHUOGKVOROD-UHFFFAOYSA-N", "SMILES:Fc1cccc(-n2ccnn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKJYWWTGIDTLE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPPFRFXVLJIEW-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZRSVAZVGPOQDP-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(C)c(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZXFOQSWLZMMW-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccn3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYSGPPTYCZUOIA-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3ccccc3)c(-c3ccco3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJVNLRSIVKMRJW-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3ccccc3)c(C3=CCCC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSEXEDRTCCWBFA-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3ccccc3)c(C3CCCC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SICSWXGNVRYPNT-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3ccccc3)c(C3=CCCCC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCGAKRFLBHIMPG-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3ccccc3)c(C3CCCCC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRSYURQQRICLTP-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3ccccc3)c(N3CCCCC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXHJMYNBNCWDF-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3ccco3)c(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFAWCQJBYSXBE-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3cn[nH]c3)c(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQIPBBIHUSONHX-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3nccs3)c(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIVIPLSONUZXMT-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3cccc(O)c3)c(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCLSLNUDHMXXEI-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(-c3cccc(F)c3)c(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUAKSBCCEPGFJH-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXWRHAANNOBELF-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRXCBOSYLTSHN-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1cscn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPURSASCJWYEM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHPOXNOROPDTE-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NURMTFFWMUILBS-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLMBSLZGPFVFHS-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPJDHQMHWHBKN-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2[nH]c(N)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHZASUXPZHSRN-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIBPFOOTGIAJOB-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORXTRJVKPFSIL-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(C3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNHCRFSNBWTHDU-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDBNFAIZZSODBR-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(C3=CCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZOMWGRJGQLDW-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXTVFZQZBCYOF-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)c(=O)n2nc(-c3ccccc3)c(N3CCCCC3)c2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBARGDOWKKSML-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3ncccc3c2)c(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKUMOPMUYXUWNT-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJMXLVAQXKZRGY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMAXWSSEVLOCR-UHFFFAOYSA-N", "SMILES:O=c1cc(Nc2ccccc2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQJFTUHJFJEMTE-UHFFFAOYSA-N", "SMILES:O=c1cc(Nc2cc[nH]n2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQISKVNEPAUUQB-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(O)cc2)c(Nc2cc[nH]n2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPIYUHMIDIKFK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(Nc3cc[nH]n3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJUDTVJJLKPYDZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(Nc3cc[nH]n3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIDPHUOMGWKLIJ-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKYSEMBENYVIK-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLMKJFTVYMJIA-UHFFFAOYSA-N", "SMILES:CCOC(=O)n1ccc(Nc2[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c(=O)c2-c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSMGEEWNCDMHFQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nnc(Nc2[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c(=O)c2-c2ccc3ncccc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUXPFZDYRJVEA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(Nc3ccon3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJFOXJMIHKFKS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(Nc3ccccn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCLWXCPCKHWNL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(Nc3cnccn3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSVRUECLQUGTDS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(Nc3ccccn3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUABGDSEXEOCT-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(C3=CCCCC3)c(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1498496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGGKYNMLXLWSAB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIFMCNPVVQGRGF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQIHURGPNXJNP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAOTWDWTZIRBEE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)O)cc1)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAOHPFHXTKBTTG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C#N)cc1)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZINKXKQKUDBDP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLCVEDUJKHROJO-UHFFFAOYSA-N", "SMILES:C#CCCCCC(=O)N(Cc1cc(F)c(F)c(F)c1)C(C(=O)NC(C)(C)C)c1c(C(=O)OCC)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGGGBWUFPMJXRU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(C(=O)NC(C)(C)C)N(Cc1cc(F)c(F)c(F)c1)C(=O)CCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOEVCIHTTTYVCC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUSCJYFRHYQUMG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1nc(CN2CC(C(N)=O)Oc3ccccc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUACWKVQJVFUTD-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CC(C(N)=O)Oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCHFZAVYDPOUHQ-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLDLIDXKCARRF-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccc2O)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONHGTMVUGFFST-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CN2CC(C(N)=O)Oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEAWXYDUUDAQS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1ccc(CN2CC(C(N)=O)Oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNAVECGSIMZLNC-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccn2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLQOZOCUFCPHT-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2cccnc2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXHTABVSRLZHY-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2cn(Cc3ccccc3)nn2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYIWMWUJRWIAFC-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2cnnn2Cc2ccccc2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGXXBMWIAQYLH-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2csc(N)n2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICXQDJAQVPOML-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVFEBWIBYFSSM-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccc2[N+](=O)[O-])c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPWMAHUCIAMAN-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccc2N)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXUFHOXOQHQDGX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1CN1CC(C(N)=O)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQFINNMUMHBBQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CN2CC(C(N)=O)Oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXWJRUXKUURPL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(CN2CC(C(N)=O)Oc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBALCFAHQLSVCN-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1CN1CC(C(N)=O)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMDHZGKKUEQRR-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CC(C(N)=O)Oc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUFGGKUZXSCLMV-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccc3c(c2)OCO3)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMRHSUDMRBBQLJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(CN2CC(C(N)=O)Oc3ccccc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPWOJZMBQCKZCU-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccc2F)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNNKVVSLTAJBOA-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccc2Cl)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQSAHUOEWBZZJU-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccc2Br)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJMURDBTHRPNC-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccc2I)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTWQFWPKHWQJEK-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccc2C(F)(F)F)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEYSHABRYXFKPH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CC(C(N)=O)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXBOBTYCILJUPV-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1CN1CC(C(N)=O)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVUGQMFXMHBGDS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1CN1CC(C(N)=O)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOGLIINBBNLBB-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccc2C(=O)O)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALOEUXPVXRQSR-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccccc2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPMBPGUPMFWIY-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2cccc(Br)c2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCDIOJQICTZTPA-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CC(C(N)=O)Oc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJEUMHCJTFUQLY-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGHHBASXPRXEDN-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMOXXAQFPVOMJL-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(C(=O)c2ccc(CCl)cc2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVWCRNQVNSHOFA-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(Cc2ccc3nonc3c2)c2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFXORGITPTPFG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CC(C(N)=O)Oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNNZXNGIADKZAV-MZMRVWRASA-N", "SMILES:CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL342954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLCHESOMJVGDSJ-IHLOFXLRSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOXWMTWUXSCESZ-PPHWUNPRSA-N", "SMILES:CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTAGHVKFHFPGNU-YJWDFKAOSA-N", "SMILES:CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUPIOMJYPPYIIT-DZGSVNIASA-N", "SMILES:CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZICAPIHMUSAOAA-GOGZTAQTSA-N", "SMILES:CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJIXMLEXKCZPP-WGFPFELBSA-N", "SMILES:CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBHITDMDNQMDY-GVBQWOKBSA-N", "SMILES:CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFKTTWFWSXHPDS-WGFPFELBSA-N", "SMILES:CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFDXDKLEDUMXIC-DGIOHOOTSA-N", "SMILES:CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKZXFXHBCZJFEJ-OUQQWPLESA-N", "SMILES:CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZLPXJPIURJTG-MFNYXIFISA-N", "SMILES:CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYHHZOHHLGFDBC-GDMSQXPWSA-N", "SMILES:CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAFXSPXDBZARE-GGJGGFGGSA-N", "SMILES:CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHNGGZJHZFEDD-OZKQTGAYSA-N", "SMILES:CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVIQKRAIZKFYNO-QLXARGDVSA-N", "SMILES:CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPBKMFRRRPAMNS-XFTNXAEASA-N", "SMILES:CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBDRKVDUXHMVFB-OUQQWPLESA-N", "SMILES:CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMMDVRPOQHVKBQ-MFNYXIFISA-N", "SMILES:CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLUWJXRVETXPPG-GGJGGFGGSA-N", "SMILES:CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKXBIJYBYNECQ-BFZVMRKTSA-N", "SMILES:CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUFZIAOEZHMXKI-GIFPIDKJSA-N", "SMILES:CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBCORXCBKJXBP-OZKQTGAYSA-N", "SMILES:CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFLILZVOXOWUIT-QLXARGDVSA-N", "SMILES:CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTZIJNTBXMQFE-XFTNXAEASA-N", "SMILES:CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNRUUGFLGBMLCW-BQJGZSGRSA-N", "SMILES:CC[C@H](C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccccc2)N(CC2CCC(C(C)(C)C)CC2)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYSQQUWVBPWTA-GVBQWOKBSA-N", "SMILES:CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFSJDHSHLFQPGT-DGIOHOOTSA-N", "SMILES:CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHKBBGYYMTILV-RRGQHJHPSA-N", "SMILES:CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICLHPWHGDSZHB-MZMRVWRASA-N", "SMILES:CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXXVUAXDBKKNK-PPHWUNPRSA-N", "SMILES:CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOLQAURKOZQJZ-YJWDFKAOSA-N", "SMILES:CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCARHYRCAXXMFO-BFZVMRKTSA-N", "SMILES:CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFSLCVHLSSZNCJ-GIFPIDKJSA-N", "SMILES:CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBHZYFVNLOGNI-GDMSQXPWSA-N", "SMILES:CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILJUOCVHINDNPZ-DZGSVNIASA-N", "SMILES:CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHSCZDNNJCDGC-GOGZTAQTSA-N", "SMILES:CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEDILCXRDFGEKX-RRGQHJHPSA-N", "SMILES:CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBJOLGBXMIBHP-HDICACEKSA-N", "SMILES:S=C=N[C@H]1C[C@@H](OCc2ccc(-c3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBJOLGBXMIBHP-IYARVYRRSA-N", "SMILES:S=C=N[C@H]1C[C@H](OCc2ccc(-c3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNNWYRGSJSHIN-KDURUIRLSA-N", "SMILES:Cc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNNWYRGSJSHIN-WGSAOQKQSA-N", "SMILES:Cc1ccc(-c2ccc(CO[C@H]3C[C@H](N=C=S)C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLLQSNFRDLLFM-IZAXUBKRSA-N", "SMILES:COc1cccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGODHBBOHBOYGT-CALCHBBNSA-N", "SMILES:Fc1cc(-c2cccc(C(F)(F)F)c2)ccc1CO[C@H]1C[C@@H](N=C=S)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YASYLGQVWPRLLE-IYBDPMFKSA-N", "SMILES:COc1cc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWNLDWKYAQWZCA-IYBDPMFKSA-N", "SMILES:COc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROKVPWHHBYTRKM-GASCZTMLSA-N", "SMILES:Fc1cc(-c2ccc(OC(F)(F)F)c(F)c2)ccc1CO[C@H]1C[C@@H](N=C=S)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVRQMDMBSIEDN-IYBDPMFKSA-N", "SMILES:COc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)nc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKZHHKMMVQLJL-CALCHBBNSA-N", "SMILES:CCOc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJBZXQUBHAJSE-HDICACEKSA-N", "SMILES:CC(C)c1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKMOKTUPRISDSA-QUPDYRNUSA-N", "SMILES:Fc1cc(-c2cccc(OCc3ccccc3)c2)ccc1CO[C@H]1C[C@@H](N=C=S)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSKYULVCLNJROE-CALCHBBNSA-N", "SMILES:COc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)c(F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZTGWCXARHWNGK-CALCHBBNSA-N", "SMILES:Fc1cc(-c2ccc3c(c2)OCCO3)ccc1CO[C@H]1C[C@@H](N=C=S)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGLLRHWAILNOI-IYBDPMFKSA-N", "SMILES:Fc1cc(-c2ccc3c(c2)OCO3)ccc1CO[C@H]1C[C@@H](N=C=S)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFYVNXIFHUNOBW-HDICACEKSA-N", "SMILES:Fc1cc(-c2ccc3c(c2)CCO3)ccc1CO[C@H]1C[C@@H](N=C=S)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHZVZUDNHZYKI-HDICACEKSA-N", "SMILES:Fc1cc(-c2ccc3c(c2)OCC3)ccc1CO[C@H]1C[C@@H](N=C=S)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKOKPBGPUIZHR-HDICACEKSA-N", "SMILES:S=C=N[C@H]1C[C@@H](OCc2ccc(-c3ccc4occc4c3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYAZDKCLVOQKC-GASCZTMLSA-N", "SMILES:FC1(F)Oc2ccc(-c3ccc(CO[C@H]4C[C@@H](N=C=S)C4)nc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZSHRNWSASPCRM-GASCZTMLSA-N", "SMILES:COc1ncccc1-c1ccc(CO[C@H]2C[C@@H](N=C=S)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBCJWGQDYTJDQ-FZNQNYSPSA-N", "SMILES:COc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)nc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRYNKOFBVKUDI-GASCZTMLSA-N", "SMILES:Cn1cc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)c(F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXHHHIBRMKQVQZ-TXEJJXNPSA-N", "SMILES:COc1cnc(-c2cnc(CO[C@H]3C[C@@H](N=C=S)C3)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINVTZIIWWRVOG-BETUJISGSA-N", "SMILES:COc1cnc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)cn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFOBQKTMJLVLD-XBXGTLAGSA-N", "SMILES:COc1cnc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)[n+]([O-])c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVKTTANAVOQRA-FZNQNYSPSA-N", "SMILES:COc1ccc(-c2ccc(O[C@H]3C[C@@H](N=C=S)C3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPIXLOMHXTSCI-SFESLNEESA-N", "SMILES:COc1ccc(-c2ccc(C(C)O[C@H]3C[C@@H](N=C=S)C3)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZJXISAYDZMIP-MOPGFXCFSA-N", "SMILES:COc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3(C)C)nc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPZUICWGCDIWSH-BGYRXZFFSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)N[C@]34C[C@](N=C=S)(C3)C4)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLFDDFGQNYLLCB-KDURUIRLSA-N", "SMILES:CN(Cc1ccc(-c2ccccc2)cc1)[C@H]1C[C@@H](N=C=S)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHASTZWDODKAF-HDICACEKSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)CN([C@H]2C[C@@H](N=C=S)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXUOJUNDKJYEEF-KDURUIRLSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)CCN([C@H]2C[C@@H](N=C=S)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQHFYYGISHVDB-KDURUIRLSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)CN([C@H]2C[C@@H](N=C=S)C2)CC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMCDPKQPHBEJPE-OKILXGFUSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)N[C@H]3C[C@@H](N=C=S)C3)nc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOLOHDOGMKLGD-GASCZTMLSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)N[C@H]3C[C@@H](N=C=S)C3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOLLURPZYKVQY-GASCZTMLSA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)N[C@H]3C[C@@H](N=C=S)C3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTZQIFICCBAYOY-IYBDPMFKSA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)N[C@H]3C[C@@H](N=C=S)C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQOATSGVLIACK-GASCZTMLSA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)N[C@H]3C[C@@H](N=C=S)C3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGFFKHCQQAZKB-IYBDPMFKSA-N", "SMILES:COc1ccc(-c2ccc(OC(=O)N[C@H]3C[C@@H](N=C=S)C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSSBEUPGCPJCBQ-GASCZTMLSA-N", "SMILES:COc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@@H](N=C=S)C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBCXBQODVOSFN-TXEJJXNPSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N[C@H]3C[C@@H](N=C=S)C3)on2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIRQHSFYNCKNL-BETUJISGSA-N", "SMILES:COc1ccc(-c2cnc(C(=O)N[C@H]3C[C@@H](N=C=S)C3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHNWOPOZPHZPC-XBXGTLAGSA-N", "SMILES:COc1ccc(-c2cc(CO[C@H]3C[C@@H](N=C=S)C3)on2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAJFJRIJAKZIHL-BJHJDKERSA-N", "SMILES:COc1ccc(-c2noc(CO[C@H]3C[C@@H](N=C=S)C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBLMIOZZPOEAD-GASCZTMLSA-N", "SMILES:COc1ccc(N2CCC(C(=O)N[C@H]3C[C@@H](N=C=S)C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLKSVARAJLLMBR-ZMYVRHLSSA-N", "SMILES:COc1ccc(C2CC(C(=O)N[C@H]3C[C@@H](N=C=S)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALVNXHNYKJXTH-MWABVPJASA-N", "SMILES:COc1ccc(C23CC(C(=O)N[C@H]4C[C@@H](N=C=S)C4)(C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODZAMBXXFKUEW-OKILXGFUSA-N", "SMILES:COc1ccc(CCCC(=O)N[C@H]2C[C@@H](N=C=S)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNLNPAUJYXCPS-IYBDPMFKSA-N", "SMILES:COc1ccc(CCCCCC(=O)N[C@H]2C[C@@H](N=C=S)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOQOGIZTGOTZJF-WBVHZDCISA-N", "SMILES:COc1ccc(-c2ccc(CO[C@H]3CC[C@@H](N=C=S)C3)nc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUPSGCTCDACQG-KDURUIRLSA-N", "SMILES:COc1ccc(-c2ccc(CO[C@H]3CC[C@@H](N=C=S)CC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHYBPZYXCBNAFD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(CN3CC(N=C=S)C3)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILLLMCGSCPWSJ-UHFFFAOYSA-N", "SMILES:S=C=NC1CN(CCCCCCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWYRANEASHVCG-MOBUCQHHSA-N", "SMILES:COc1ccc(-c2ccc(CO[C@]3(C)C[C@H](N=C=S)C3)c(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYXYGYDXFQKVHQ-GASCZTMLSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc(C(=O)N[C@H]3C[C@@H](N=C=S)C3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVTVYFUWGGZMM-TXEJJXNPSA-N", "SMILES:COc1ccc(-c2ncc(C(=O)N[C@H]3C[C@@H](N=C=S)C3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQATLPMLVIJGV-BLLLJJGKSA-N", "SMILES:C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDAPGAIOCAZMY-JTQLQIEISA-N", "SMILES:CCCCCCCCC(=O)N[C@H]1CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWXEXXFDRUVQC-JXFKEZNVSA-N", "SMILES:C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1c1cccc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRVZTLPTULYQN-JTQLQIEISA-N", "SMILES:CCCCCCCCOC(=O)N[C@H]1CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWMIVCPYFUSWCV-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(COC3CN(C#N)C3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKJJOBUFDAYUDT-HNNXBMFYSA-N", "SMILES:CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTZNGPOKKKVCT-UHFFFAOYSA-N", "SMILES:N#CN1CC(OCc2ccc(-c3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMOQUAVLSFNQGI-PBQTULMZSA-N", "SMILES:C[C@H](CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]12)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKOOFDMFWHJYJX-HDGUTABFSA-N", "SMILES:C[C@H](CCCN(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMWJIWDDDHUQFR-DUSUIUHSSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](OC(=O)CCCC(=O)O[C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@H](O)[C@@H]5[C@@H]6CC[C@]6(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]56)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYYMSZKMZRLTKI-CECYNEGVSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](OCc5cn([C@@H]6CC[C@@]7(C)[C@@H](C6)C[C@H](O)[C@@H]6[C@@H]7CC[C@]7(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]67)nn5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRCFYLIRXYMLL-DUSUIUHSSA-N", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](NC(=O)CCCC(=O)N[C@@H]5CC[C@@]6(C)[C@@H](C5)C[C@H](O)[C@@H]5[C@@H]6CC[C@]6(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]56)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJDTPRSPQAZHP-NHQAJLJCSA-N", "SMILES:C[C@@H]1CCC(=O)NCCNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@@H](CC[C@]5(C)[C@H]4CC[C@]23C)NC(=O)CCCC(=O)N[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H](O)[C@@H]2[C@@H]3CC[C@]3(C)[C@@H]1CC[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEABWTBVQWDRKN-DJWFLNQTSA-N", "SMILES:C[C@@H]1CCC(=O)NC(C(=O)O)CNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@@H](CC[C@]5(C)[C@H]4CC[C@]23C)n2cc(nn2)CO[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H](O)[C@@H]2[C@@H]3CC[C@]3(C)[C@@H]1CC[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWGYCQIGEMTISK-KKDXBGNISA-N", "SMILES:C[C@@H]1CCC(=O)NC(C(=O)NCCS(=O)(=O)O)CNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@@H](CC[C@]5(C)[C@H]4CC[C@]23C)n2cc(nn2)CO[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H](O)[C@@H]2[C@@H]3CC[C@]3(C)[C@@H]1CC[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVOHSUERRODGN-TXGGOJPRSA-N", "SMILES:C[C@H](CCc1cn([C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H](O)[C@@H]2[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]23)nn1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVWBFGQDHJGIX-XULNRHOGSA-N", "SMILES:C[C@@H]1CCC(=O)NCCNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@@H](CC[C@]5(C)[C@H]4CC[C@]23C)n2cc(nn2)CO[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H](O)[C@@H]2[C@@H]3CC[C@]3(C)[C@@H]1CC[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNFREIILYPOKRO-PBQTULMZSA-N", "SMILES:C[C@H](CCC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]12)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLWIYGYHJUJVKD-SFHVURJKSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]c(=O)[nH]c3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXGSAMHWEISJEV-IBGZPJMESA-N", "SMILES:Cn1c(=O)[nH]c2c(Cl)cc3c(c21)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(N2CCc4ccccc4NC2=O)CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZCZPUJKOFEFOY-IBGZPJMESA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]c(=O)n(CC(F)(F)F)c3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXAESGGVSTGIH-FQEVSTJZSA-N", "SMILES:CCn1c(=O)[nH]c2c(Cl)cc3c(c21)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(N2CCc4ccccc4NC2=O)CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPZSNVDWWDYQS-KRWDZBQOSA-N", "SMILES:Cn1c(=O)[nH]c2c(Cl)cc3c(c21)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(N2CCc4ncccc4NC2=O)CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBZBTVHQXALNAJ-HNNXBMFYSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]c(=O)n(CC(F)(F)F)c3c2CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTZEWXIEYIRQN-SFHVURJKSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]c(=O)oc3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAZILMAWWFHXME-IBGZPJMESA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]cnc3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCWAVXUVLHWGT-SFHVURJKSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]nnc3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUBPTNPMCNHDA-FQEVSTJZSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ccc3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTCKQXNHLUUKF-FQEVSTJZSA-N", "SMILES:N#Cc1c[nH]c2c(Cl)cc3c(c12)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(N2CCc4ccccc4NC2=O)CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBKQTERSBVILMZ-INIZCTEOSA-N", "SMILES:N#Cc1c[nH]c2c(Cl)cc3c(c12)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(n2c(=O)[nH]c4ncccc42)CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDMXYREAKVXCD-HNNXBMFYSA-N", "SMILES:NC(=O)c1c[nH]c2c(Cl)cc3c(c12)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(n2c(=O)[nH]c4ncccc42)CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDVHRQIHKWUFFA-SFHVURJKSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3c(c2CN(CC(F)(F)F)C1=O)C(F)(F)C(=O)N3)N1CCC(N2CCc3ccccc3NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJCIUGQLZIVCJA-AWEZNQCLSA-N", "SMILES:O=C(C[C@@H]1Cc2cc(Cl)c3c(c2CN(CC(F)(F)F)C1=O)C(F)(F)C(=O)N3)N1CCC(n2c(=O)[nH]c3ncccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGABOLYIGHGTL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOJQVSFVEUKBNH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3C)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLYDFCYFSKUBF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SATPWKMQYADNSO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4cccnc4)cc3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRFJJGGCIIQYNS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVNDTTJEONTSIB-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCOC(=O)NCC3CCCNC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQBNWVTRVBNDF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3ccccc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRDPHEDNYCIAEF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3cccnc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRASOASZQHRHKA-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCOC(=O)NCCc3cccnc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLMKXDIYDBIPU-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3cccc(NC(C)=O)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRXATZZTUXBJOT-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3cncc(NC(C)=O)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWLHHPHKMDMZOJ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3cccc(C(N)=O)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSFODPKYFDLDK-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3cccc(-c4c[nH]cn4)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVYUMXWDJYFLI-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3cccc(-c4ccc[nH]c4=O)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPPMGHIAXOKKFC-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(C(=O)c5c[nH]cn5)C4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWEJLKKRPZTJAO-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(C(=O)c5ccc[nH]c5=O)C4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSEDTPABRZYZKU-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(C(=O)c5c[nH]cn5)CC4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGNGXPLRZMXEER-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(C(=O)c5ccc[nH]c5=O)CC4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFZXCKKMNKKLO-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(S(=O)(=O)c5ccccc5)C4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTDPPNVFQRQOF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(S(=O)(=O)c5cccnc5)C4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLZTFGALYLVED-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(c5ncccn5)C4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJGVESGTTVTGQA-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(c5ncnc6[nH]cnc56)C4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXEKJWXOLKQQHC-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(c5ncccn5)CC4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWKJUUIXKYSHRH-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(c5ncnc6[nH]cnc56)CC4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAOLPMIKRRBAHR-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(c5ncnc6[nH]ncc56)CC4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTWGBYUWSOBFR-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(c5nccn6ccnc56)CC4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKHWLKVMPPAMSB-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3C(=O)NC4(CCN(c5nccn6ncnc56)CC4)C3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOEPIKQODATHPU-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3CC4(CCN(c5ncccn5)CC4)NC3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYORIUJRLUULHG-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3CC4(CCN(c5ncnc6[nH]ncc56)CC4)NC3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMMGWGOWSOEFN-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCN3CC4(CCN(c5nccn6ccnc56)CC4)NC3=O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLSXVLGCMGZRA-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OC(C)c3ccccc3)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4859852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUYACRBVCJDAX-UHFFFAOYSA-N", "SMILES:CCC(Oc1ccc2c(C)cc(=O)oc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNPSAJYTAPCRP-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OC(C)Cc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNTCPDVLMRWXFU-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCC(C)c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBSOJDNKXADKR-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OC(C)c3ccccc3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXFDRBIXJJLGT-HSZRJFAPSA-N", "SMILES:Cc1c(CCN2CC3(CCN(c4nccn5ccnc45)CC3)NC2=O)c(=O)oc2cc(O[C@H](C)c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXFDRBIXJJLGT-QHCPKHFHSA-N", "SMILES:Cc1c(CCN2CC3(CCN(c4nccn5ccnc45)CC3)NC2=O)c(=O)oc2cc(O[C@@H](C)c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCKUVBBQUSQHOB-UHFFFAOYSA-N", "SMILES:Cc1c(CCN2CC3(CCN(c4nccn5ccnc45)CC3)NC2=O)c(=O)oc2cc(OCC(C)c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZIFYLQKRVPBF-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CC3(CCN(c4nccn5ccnc45)CC3)NC2=O)c(=O)oc2cc(OCC(C)c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYJEBBBCUSWFG-UHFFFAOYSA-N", "SMILES:CCN(C)c1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIDKIAAAWJNSS-UHFFFAOYSA-N", "SMILES:CCCN(CC)c1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEJOLHAXCWMXGW-UHFFFAOYSA-N", "SMILES:CCN(c1ccc2c(C)cc(=O)oc2c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOPGOJVICYUEAA-UHFFFAOYSA-N", "SMILES:C#CCN(CC)c1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQOMLUWOIURKW-UHFFFAOYSA-N", "SMILES:C#CCN(CC#C)c1ccc2c(C)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQBSZZLZAGFGNN-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(C)c(CCOC(=O)N(C)CCc3cccnc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEURPPOYQYVMBZ-UHFFFAOYSA-N", "SMILES:Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMQDOCXFDSUOAL-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBOYGPXCZNJDGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAAZRTAWLIDXSI-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAMZULUEZPUVKC-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIFLHWHKXGREIU-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)ncc1-c1cn(C)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVMBQPYBPGOJBF-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCLUWWJNQDLPU-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIBKUPNJABACD-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFUJDODKDQAKJC-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXDEGLEWCFEOC-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLHISOBLTLRHPB-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBANUGXLMVIJLV-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOZZTDVAZMWRE-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLGAZUVNSZMQC-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJMUVKYINFAQC-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPGNWPIKCWAKB-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRIXOFWLZNCEA-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOUSOODHCHKAHI-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)Nc2cc(OCCN(C)C)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMWVBUONVBVDG-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)Nc2cc(OCC(O)CO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCDRVAIZUBXMFH-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKAMQCNGMAKYLI-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHANXQOERSRNGA-UHFFFAOYSA-N", "SMILES:CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIHAGIHMCWNEH-UHFFFAOYSA-N", "SMILES:CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFGOGOVSUWZQW-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAIZHHMPKTVVJV-UHFFFAOYSA-N", "SMILES:CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWHHSUFUDMJTP-UHFFFAOYSA-N", "SMILES:CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXWNPQSQCBBZMR-UHFFFAOYSA-N", "SMILES:Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVLLHQXENRQMM-UHFFFAOYSA-N", "SMILES:Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFYPNXYOYVDIG-UHFFFAOYSA-N", "SMILES:Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1ccn(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPMADSTXJPNME-UHFFFAOYSA-N", "SMILES:Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZOXFDNXNUDTJY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIRKUBSFZITPEM-UHFFFAOYSA-N", "SMILES:Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDWGFOENNUCKD-UHFFFAOYSA-N", "SMILES:Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(C(=O)NC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEDSMDCNCYBPFD-UHFFFAOYSA-N", "SMILES:Cc1cc(CO)nc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHXLQZEDJHJPR-UHFFFAOYSA-N", "SMILES:Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FODKFQLREONTAR-UHFFFAOYSA-N", "SMILES:Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHZKPQZGREGTJ-ZCYQVOJMSA-N", "SMILES:CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(CN)nn(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGEZNJXGAIKFKY-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(C)c3ccc(C(F)(F)F)cc3)n[nH]c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQGYUDTHGCPDN-UHFFFAOYSA-N", "SMILES:C=C(c1ccc(C(F)(F)F)cc1)c1n[nH]c2c(=O)[nH]c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKGQDCYZQHQDM-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(C)c3ccc(C(F)(F)F)cc3)nn(C)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGEZNJXGAIKFKY-SSDOTTSWSA-N", "SMILES:Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)cc3)n[nH]c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGEZNJXGAIKFKY-ZETCQYMHSA-N", "SMILES:Cc1nc2c([C@@H](C)c3ccc(C(F)(F)F)cc3)n[nH]c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWACASGWOVBFDQ-SECBINFHSA-N", "SMILES:Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)cc3)nn(CCO)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWACASGWOVBFDQ-VIFPVBQESA-N", "SMILES:Cc1nc2c([C@@H](C)c3ccc(C(F)(F)F)cc3)nn(CCO)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRNCNVFYSNFESE-SECBINFHSA-N", "SMILES:Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)cc3)nn(CCF)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRNCNVFYSNFESE-VIFPVBQESA-N", "SMILES:Cc1nc2c([C@@H](C)c3ccc(C(F)(F)F)cc3)nn(CCF)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGLBARWKJIABCX-MRVPVSSYSA-N", "SMILES:Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)cc3)nn(CC(F)(F)F)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGLBARWKJIABCX-QMMMGPOBSA-N", "SMILES:Cc1nc2c([C@@H](C)c3ccc(C(F)(F)F)cc3)nn(CC(F)(F)F)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUXIXNIJGPRTBX-SECBINFHSA-N", "SMILES:Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)cc3)nn(CCC(F)(F)F)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUXIXNIJGPRTBX-VIFPVBQESA-N", "SMILES:Cc1nc2c([C@@H](C)c3ccc(C(F)(F)F)cc3)nn(CCC(F)(F)F)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBHATACQVADBBY-MRVPVSSYSA-N", "SMILES:Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)c(F)c3)nn(CCO)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBICUHUREYXDMW-SECBINFHSA-N", "SMILES:Cc1nc2c([C@H](C)c3cccc(C(F)(F)F)c3)nn(CCO)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWDQFZOUKKXDHA-GFCCVEGCSA-N", "SMILES:Cc1nc2c([C@H](C)c3ccc(C(C)(C)C)cc3)nn(CCO)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRYADJLCLXEOS-MRVPVSSYSA-N", "SMILES:Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)c(F)c3)nn(CCF)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQIRHYYUPTLHG-GFCCVEGCSA-N", "SMILES:Cc1nc2c([C@H](C)c3ccc(C(C)(C)C)cc3)nn(CCF)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYRIZYZFHBOKAT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(-c2cc[nH]n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGQKPMNDFGCVRY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(-c2ccn(CC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFNERMBAHHHNC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(-c2ccn(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGYQJJDJUOUQC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(-c2nn(C)cc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSNSQODTMCIXNY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(-c2nn(C)cc2-c2ccc(OC)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYXCGCHJBOWOKV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(-c2nn(C)cc2-c2cccc(N3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIJCIVVENPCQJN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(-c2nn(C)cc2-c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDCGXJGSNHHRL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccn(C)n2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMUSYYACKYSMK-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccnc(-c2ccn(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYERKFXVPZZHEF-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1ccnc(-c2ccn(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXAIKNYFJODZNH-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1ccnc(-c2ccn(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBCUBDIBKVCSW-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)OC3CCCC3)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCUNYUAPLTALD-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)c1ccnc(-c2ccn(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDOGCSOUYVXSK-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)OCC3CC3)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHYLAQRPKNGBNQ-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)OCC3CCC3)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVODFJDPOLUNB-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)OCc3ccccc3)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBUILDKPBEMOR-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)OCC(F)(F)F)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBAREDHSCLFQR-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)OCC(F)F)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCMGBWXJNCBZBN-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)OCCF)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXFSROLQGDEPQW-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)O)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJGQSCCZDVEBI-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(-c3cnn[nH]3)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVDNTAIBZHGIAL-UHFFFAOYSA-N", "SMILES:Cc1cc(O)nc(NN=Cc2ccccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOQZMCCBUBCPNK-WGSAOQKQSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1"]}
{"name": "Hematopoietic prostaglandin D synthase", "xref": ["CHEMBL.TARGET:CHEMBL4523131"], "id": "UniProtKB:O35543", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQJGJOMWYRHFI-UAPYVXQJSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3nc(-c4cccc(F)c4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWYPDHAPNSWFH-QAQDUYKDSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3nc(-c4ccccc4F)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGMPCJRNSLMHIP-UAPYVXQJSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDYHOGYIJFQGE-UHFFFAOYSA-N", "SMILES:CCN1CCC(NC(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWCKOLEUZDTGK-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc2nc(-c3ccccc3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMZLGHDTVTGQY-MJGOQNOKSA-N", "SMILES:CC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2ccc3nc(-c4ccccc4)cn3c2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGJORDSSNBLIE-MJGOQNOKSA-N", "SMILES:CC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2ccc3nc(-c4cccc(F)c4)cn3c2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHTJVMDEKRCYRP-BEFAXECRSA-N", "SMILES:CC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2ccc3nc(-c4ccccc4F)cn3c2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWJZSXZTZBLZIA-UAPYVXQJSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3c(cnn3-c3cccc(F)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTKLIHVFFYOMX-KESTWPANSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3c(ccn3-c3cccc(F)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPNXGOPROLJQR-SAABIXHNSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPPEMQZJKRPAO-QAQDUYKDSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)N2CCc3c(cnn3-c3ccccc3F)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZLJYPJYFIGCJC-SAABIXHNSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)N2CCc3c(cnn3-c3ccc(F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZVKOMRXRPIWRU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVROHZRMJNSNA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBTBZYWFFKDQDI-SAABIXHNSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](CNC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVJZIFSZAQCXKF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMRPJONOSBFAO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(OC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBPQRCMCEYVHIP-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCc2c(cnn2-c2cccc(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMJFVHOWFRMORP-XYPYZODXSA-N", "SMILES:CN(C[C@H]1CC[C@H](N)CC1)c1ccc2nncn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRNFCRCQJVXXTP-UHFFFAOYSA-N", "SMILES:Cc1nnc2ccc(N(C)CCC3CCNCC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRYGXEZJBKZFRT-HAQNSBGRSA-N", "SMILES:CCc1nnc2ccc(N(C)C[C@H]3CC[C@H](N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDIQFBFEKHSLNH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Nc2ccccc2)n2c(=O)ccc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSWXXONITYIPBH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Nc2ccc([N+](=O)[O-])cc2)n2c(=O)ccc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEARDTFJGJLEFC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Nc2ccc(Cl)cc2)n2c(=O)ccc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLMBCWWGGFFKOM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Nc2ccc(Br)cc2)n2c(=O)ccc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIBUYWBNYHQIW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(c2ccc(OC)cc2)n2c(=O)ccc3cc(O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEJHIKXGVYVHL-UHFFFAOYSA-N", "SMILES:COc1cc2cccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTARTJRKCYWWFG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(F)c3N3CCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGCYPNJVKFMKK-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)cc3N3CCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYGMFESEKAHWKF-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(F)ccc3N3CCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZRORVMYDQBHY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3c(F)cccc3N3CCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTMNCEWWUNZMED-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ncc(-c3cccc([N+](=O)[O-])c3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUATRAOZQVVMY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPPLHBZPGWFTAK-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAHBDSYEKVEGII-UHFFFAOYSA-N", "SMILES:CC(C)CS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMFRXMYBYCUYFU-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCCC1)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDQVIHERKSEDA-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC(F)(F)F)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCUMEDTFDHYGQ-UHFFFAOYSA-N", "SMILES:COCCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWKJYEYQEXKXJB-UHFFFAOYSA-N", "SMILES:COCCCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLGYDBWCOZOLQN-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCCO1)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQNXYKUILSFKW-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCOCC1)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNUOOCEAIVBTF-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCCOC1)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDZTLHIHGENET-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCCCO1)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1360165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEAZROGNZZIRPL-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZPYTGIRCMVVIC-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(N2CCCCC2)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIIDREBWSVCRAE-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(N2CCCC2)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHEDXLYSCLPHRV-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RROGCSAVXSOHHU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQFAJFYCASFJCC-UHFFFAOYSA-N", "SMILES:O=C(NCCCc1ccccc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXIDEMXSEIEVFN-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)c1ccccc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUAHPSDPZCQQER-UHFFFAOYSA-N", "SMILES:O=C(NCC1(c2ccccc2)CC1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRUWPFWORKJXOL-CZUORRHYSA-N", "SMILES:O=C(NC[C@H]1C[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2299366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPJBDZBGMSYJGD-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccn1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1900669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXXNUZHEJSGKMM-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)Nc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1393182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMYPENMMHBLPJ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBOMKBAXIDJLI-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRIJRIWVQSVCZ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTPHWCDWCWGAAN-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLOLMJQGZLLBQL-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2COc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUNDARLMBDHED-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCCc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGAIFRRBCBCQFO-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIVFQRPDFQWYIO-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CC(C)(C)Oc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHOPLZOKZVFDJT-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4ccncc4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRWWLZZPKKPMK-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4ccnc(N)c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSNGYDDKKPBORF-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4ccnc5[nH]ccc45)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVURKQBQHYHEMC-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPIUWYFSACUFW-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3ccc(-c4ccncc4)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROEGBPGDMIUDQS-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3ccncc3)cc2OCCN1Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWOOHUUSMWIMQY-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3ccncc3)cc2OCCN1Cc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQUIEFYDKXWFB-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCOc3cc(-c4ccncc4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLQHHAZRNIGZMU-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(CN2CCOc3cc(-c4ccncc4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIDJEXJLBEKJC-UHFFFAOYSA-N", "SMILES:O=Cc1cccc(CN2CCOc3cc(-c4ccncc4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHJDZRESGBFHR-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCOc3cc(-c4ccncc4)ccc3C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFBJZJIDYUWOF-MPBYYLQUSA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CC2)OCCN([C@@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUBMNLERLEJHE-JPZAJBPPSA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CCCN([C@@H](C)c4ccc(-n5cc(F)cn5)nc4)C3=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXDRPELFIWFPTI-IBGZPJMESA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC3(CC2)CCN([C@@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQVSAGLGZWLGS-FQEVSTJZSA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC3(CCCN([C@@H](C)c4ccc(-n5cc(F)cn5)nc4)C3=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSTYMDLOACKCHV-IBGZPJMESA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC3(CCCN([C@@H](C)c4cnc(-n5cc(F)cn5)cn4)C3=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAOJVGXKSANEIE-FQEVSTJZSA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC3(CCCN([C@@H](C)c4ccc(-n5cc(F)cn5)cc4F)C3=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXDRPELFIWFPTI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC3(CC2)CCN(C(C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQVSAGLGZWLGS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC3(CCCN(C(C)c4ccc(-n5cc(F)cn5)nc4)C3=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMALNWQSQDLJJ-IBGZPJMESA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC3(CC2)OCCN([C@@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVIWXYSERMEHD-KRWDZBQOSA-N", "SMILES:Cc1cc(Nc2nc(N3CCC4(CC3)OCCN([C@@H](C)c3ccc(-n5cc(F)cn5)nc3)C4=O)ncc2F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCLNHHNODGTCU-SYNHAJSKSA-N", "SMILES:CC(C)c1cc(O)c2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEHRHZAFVMRFF-INAMJSSCSA-N", "SMILES:C[C@H]1C[C@]2(O)O[C@@]1(C)C=C1CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZGXWRDFYBARM-DYWRSEPTSA-N", "SMILES:C[C@@H]1O[C@]2(C(C)(C)O)C=C3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@]31OO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDSYKASBVOZOAG-QGZVKYPTSA-N", "SMILES:C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4874928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXNVXVBJLZPKPW-DBVUQKKJSA-N", "SMILES:C=C[C@@]1(C)CC(=O)C2=C(CC[C@H]3C(C)(C)CCC[C@]23C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLXKQMXLRRHAM-PXNSSMCTSA-N", "SMILES:CC(C)c1cc(O)c2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3355361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGLVTTCGMPKDDR-JXFKEZNVSA-N", "SMILES:CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)(C)CCC[C@]23C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3343789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUUCYKKMFLJLFS-AZUAARDMSA-N", "SMILES:CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4849328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCHRTRBKBTKLA-UHFFFAOYSA-N", "SMILES:CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(OC)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLACDNAMIWJHM-UHFFFAOYSA-N", "SMILES:CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(C)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSFYEUANHWTLKT-UHFFFAOYSA-N", "SMILES:CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(Br)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLHBQWBKVGCML-UHFFFAOYSA-N", "SMILES:CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQBAVVDASYZLV-UHFFFAOYSA-N", "SMILES:CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKNSYARWGKORDO-UHFFFAOYSA-N", "SMILES:CCc1nnc2c3ccccc3n(CC(=O)Nc3cccc4ccccc34)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYBRROMMFMPJAN-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLHXVUYHPKSJQ-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2nnc3c4ccccc4nc(Sc4ccc(Br)cc4)n23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVNAHCNGPGUNE-RQZCQDPDSA-N", "SMILES:Oc1ccc(/C=N/Nc2nc3ccccc3c3nncn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGNXNEWULAUBJY-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)c2cccc3c(OCc4ccc(C(F)(F)F)cc4)ccc(c23)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODZPFZHXUXNPW-UHFFFAOYSA-N", "SMILES:CCCNc1ccc2c3c(cccc13)C(=O)N(CCCCCC(=O)NO)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBSAYEOMBARDFZ-UHFFFAOYSA-N", "SMILES:CCCNc1ccc2c3c(cccc13)C(=O)N(CCCC(=O)NO)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637208", "category": ["biolink:ChemicalEntity"], "name": "GSK973", "xref": ["InChIKey:WZQLVEPIBAOOGF-RMMWZPCPSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1O[C@H](CF)[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMKCPQGJKUMBN-UHFFFAOYSA-N", "SMILES:CCC(=O)c1c[nH]c(C(=O)NC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYFSGUXNLQCQP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)n(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJSXIWAUQLTFK-NSHDSACASA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)n([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDZRISCYMMABI-NSHDSACASA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)c([C@@H](C)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDZRISCYMMABI-LLVKDONJSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)c([C@H](C)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQSAECBYDJNVQV-JTQLQIEISA-N", "SMILES:CNC(=O)c1cc(C(=O)NC)n([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOFLZZXKYMPLBU-NSHDSACASA-N", "SMILES:CCNC(=O)c1cc(C(=O)NC)nn1[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXUUILABFFELOX-NSHDSACASA-N", "SMILES:CCNC(=O)c1cc(C(=O)NC)oc1[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGIYFPOPCABIL-LBPRGKRZSA-N", "SMILES:CCCNC(=O)c1cc(C(=O)NC)nn1[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNJFNJDJIJEBIT-LBPRGKRZSA-N", "SMILES:CCCNC(=O)c1cc(C(=O)NC)oc1[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOYCUEVJGHUYAG-NSHDSACASA-N", "SMILES:CNC(=O)c1cc(C(=O)NCCO)n([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHBWEFYITNIJOW-NSHDSACASA-N", "SMILES:CNC(=O)c1cc(C(=O)NCCO)c([C@@H](C)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMRSVHBTPXQQX-KIYNQFGBSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC(C)CO)n([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETFNKUXBOOIGL-KIYNQFGBSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC(C)CO)c([C@@H](C)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTWUHPSWLLLCE-ZDUSSCGKSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CCOCC2)n([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEXSRVMWXAFLMV-BPUTZDHNSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRAMSTZRKUJRKS-BPUTZDHNSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c([C@@H](C)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFEUPAMRIRCEGG-XIRDDKMYSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](OC)CC2)n([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMIVXBFUOSHAD-XIRDDKMYSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](OC)CC2)c([C@@H](C)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTQPMSDNSIEHLD-ZYIUAKIQSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c([C@@H](C)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNDETUBWVFFHS-LEBIPQMGSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](O)C[C@@H]32)n([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWSVECGOZVJBV-LEBIPQMGSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](O)C[C@@H]32)c([C@@H](C)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYZXXJTKWLRBO-VHWJNRFISA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](OC)C[C@@H]32)n([C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFLAVRKUGSZRQ-RCBQFDQVSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n([C@@H](C)c2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXUULHNXDBPSSF-RCBQFDQVSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n([C@@H](C)c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJMRTNFVUMONC-RCBQFDQVSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c([C@@H](C)c2cccc(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHRIHKRUJTKSL-IHRRRGAJSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n([C@@H](C)c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTZYNWIGMRJHK-RCBQFDQVSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n([C@@H](C)c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHPNYOFGSZUNZ-RCBQFDQVSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n([C@@H](C)c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYXQOFIGVRNFV-IHRRRGAJSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c([C@@H](C)c2ccccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNEWRSWJHHBOEF-RCBQFDQVSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c([C@@H](C)c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRRPKHAQDZDLL-RCBQFDQVSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c([C@@H](C)c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXLAHNGTZNWNAW-XIRDDKMYSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n([C@@H](C)c2cccc(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJHUUWFVZAMSCI-XIRDDKMYSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c([C@@H](C)c2cccc(C)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRLWWURTTRTHMO-XIRDDKMYSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c([C@@H](C)c2ccc(C)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORHRQQKUJVCJV-BPUTZDHNSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c([C@@H](C)c2cccc(OC)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKDYUKBYVABSF-BQFCYCMXSA-N", "SMILES:CC[C@@H](c1ccccc1)n1nc(C(=O)NC)cc1C(=O)N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJYJMCWPKOTBOP-BBHOWBALSA-N", "SMILES:CC[C@@H](c1ccccc1)n1nc(C(=O)NC)cc1C(=O)N[C@H]1[C@@H]2C[C@@H](O)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJYJMCWPKOTBOP-BSZJXLGXSA-N", "SMILES:CC[C@@H](c1ccccc1)n1nc(C(=O)NC)cc1C(=O)N[C@H]1[C@@H]2C[C@H](O)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBUUYZANEKZKPZ-FAMUUCDKSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](O)C[C@@H]32)n([C@@H](C)c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBUUYZANEKZKPZ-HLMGLICBSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@H](O)C[C@@H]32)n([C@@H](C)c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBUMKVHLQAZKMK-BXWFABGCSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](OC)CC2)n([C@@H](CO)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQUICZYNEOVBDE-XNIJJKJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSc2cccc(C(=O)O)c2)[C@@H](O)[C@H]1O"]}
{"name": "Glycine N-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4523295"], "id": "UniProtKB:Q14749", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOZMFJSPZHKKK-MEQWQQMJSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)Nc2cccc(C(=O)O)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRBGIZZDIAVFAN-LSCFUAHRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCc2cccc(C(=O)O)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUHCRFRNLDEZQO-QTQZEZTPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCc2ccc3ccccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWTXBHNIJZIQQ-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCCc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYIUJTAPUMGPDU-IDTAVKCVSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCc2c[nH]nn2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGFODRUJFKGWSI-FRJWGUMJSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCc2cc(O)[nH]n2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHZOVZRHFMWMJ-PMXXHBEXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](Cn2cc(CCC(=O)O)nn2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFKXVRNNUUVMN-CIVUBGFFSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCC(=O)O)CCc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQDPWZSJXIFACW-MEQWQQMJSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCN(CC(=O)O)CC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHHVPPSBFQMEL-HURDOVMISA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](O)C[C@@H]32)cc2c1OC[C@@]2(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVXJTXDGSUJOOO-CABCVRRESA-N", "SMILES:CNC(=O)c1cc(C(N)=O)cc2c1O[C@H](CF)[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUCLUVFBZKLKKP-AWEZNQCLSA-N", "SMILES:CNC(=O)c1cc(C(N)=O)cc2c1OC[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZVQXAYVVMWQTJ-CVEARBPZSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC)c2c(c1)[C@H](c1ccccc1)[C@@H](CF)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNCOLQHJDOMAFH-HNNXBMFYSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC)c2c(c1)[C@H](c1ccccc1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXNHDSBSIBGFK-MSOLQXFVSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc2c1O[C@H](CF)[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVKQGZOFSIHMCB-KRWDZBQOSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc2c1OC[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANBREJDABCIHR-HDBZGKQISA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C)cc2c1O[C@H](CF)[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIPDBILHILZUAG-IGNZVWTISA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc2c1OC[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTMKIQQZCXFALM-INDMIFKZSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFKOZKOBAHQAQ-RQOBALISSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](O)C[C@@H]32)cc2c1OC[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKEDLKDWRNQRLY-CUXKYVRBSA-N", "SMILES:CCC(=O)N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)c1cc(C(=O)NC)c2c(c1)[C@H](c1ccccc1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGIXEDRXVGJNJ-CIQXWFTPSA-N", "SMILES:CNC(=O)c1cc(C(=O)NCCC[C@H]2OC[C@H](N)CO2)cc2c1O[C@H](CF)[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHXXIGKGHESEQ-YYWHXJBOSA-N", "SMILES:CNC(=O)c1cc(C(=O)NCCC[C@H]2OC[C@H](N)CO2)cc2c1OC[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXLRXUSNMAQRD-SFHVURJKSA-N", "SMILES:CNC(=O)c1cc(C(=O)Nc2cnn(C)c2)cc2c1OC[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAGHZUFIERAQOB-FQEVSTJZSA-N", "SMILES:CNC(=O)c1cc(C(=O)NCCc2cnn(C)c2)cc2c1OC[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATPUAWFTSTEJA-WNRNVDISSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@H]2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLXCIYNOHOMSH-CBZIJGRNSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@H]2c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLACTVZVPBDWMU-WNRNVDISSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@H]2c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCMIRKKNIABCII-WNRNVDISSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@H]2c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMKFXXVXNIGAFW-SFHVURJKSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc2c1OC[C@H]2c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSICBLOAPHBRKO-VNTMZGSJSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@H]2c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIZDVRRLALZAJ-KRWDZBQOSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc2c1OC[C@H]2c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZZPAUKEVRRZOX-KRWDZBQOSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc2c1OC[C@H]2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAFAALVGWDQOMB-INDMIFKZSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@H]2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITEHNYFTVZUGQX-VNTMZGSJSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@H]2c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSJNKFKZXATUJK-SFHVURJKSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc2c1OC[C@H]2c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXVFNUYYLNWAFZ-CTAFRAEOSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@H]2c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLEUOGAUFKCAAD-NRFANRHFSA-N", "SMILES:CNC(=O)c1cc(C(=O)NCCc2cnn(C)c2)cc2c1OC[C@H]2c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGLEZJKVBSRJX-MUCNXURCSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@@]2(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPUXXSPXVUROW-MUCNXURCSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1OC[C@@]2(CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXNIGTVSQUAGO-UOUMEPNKSA-N", "SMILES:CC[C@@]1(c2ccccc2)COc2c(C(=O)NC)cc(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQWFBOWKAUANTC-IBGZPJMESA-N", "SMILES:CNC(=O)c1cc(C(=O)NC)c2c(c1)[C@](C)(c1ccccc1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZBWLYOJMJRYCD-NRFANRHFSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC2CC2)cc2c1OC[C@@]2(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGXRHSAKKNWSC-VNMLXUOPSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc2c1OC[C@@]2(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSRDJCQUIJFQKQ-VNMLXUOPSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc2c1OC[C@@]2(CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXNEMJQUURAGF-XFAGBWLFSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)cc2c1OC[C@@]2(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHHVPPSBFQMEL-NVHIMHAJSA-N", "SMILES:CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@H](O)C[C@@H]32)cc2c1OC[C@@]2(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLEKHSYWBGDDDL-WDOBXHAESA-N", "SMILES:[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(OC6CCNCC6)ccc5[C@H]4C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVVUMSWVNHLDH-UBBCZWIYSA-N", "SMILES:[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(N6C[C@H]7C[C@@H]6CN7)ccc5[C@H]4C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVVUMSWVNHLDH-PJNBYRSHSA-N", "SMILES:[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(N6C[C@@H]7C[C@H]6CN7)ccc5[C@H]4C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUVSRVSKQPMECA-OKHWZEKLSA-N", "SMILES:[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(N6CCC7(CNC7)C6)ccc5[C@H]4C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXDZZXSZUZECH-JJCXTKOYSA-N", "SMILES:[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(N6CC[C@](C)(N)C6)ccc5[C@H]4C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDISRPMCMZFMTM-QHCPKHFHSA-N", "SMILES:CC1(N)CCN(c2ccc3c(n2)CN2CCN(c4ccc(C#N)c5ncccc45)C[C@@H]32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBHOJAPGUTPPG-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(C(=O)NS(C)(=O)=O)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPGRHRYLFMBPHK-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(C(=O)O)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POISLEHCMDEHNV-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)O)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPUBPIPZFAUDSS-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CC=C(c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDZLFHFYYIDMB-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAWNCEFBLJLRNH-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)CO)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRPJBGDXQQBRRD-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(S(C)(=O)=O)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUIZXTKIHUHQND-UHFFFAOYSA-N", "SMILES:CCOC(=O)NS(=O)(=O)N1CC=C(c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUXIUBXCPRIWRC-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(NCC(=O)O)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKEWATIKYFEHIF-IRCUZVAFSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(N[C@@H](C(=O)O)C(C)C)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQQJMZBOAYKKR-IZAXUBKRSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN([C@H]4CC[C@@H](C(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQQJMZBOAYKKR-UAPYVXQJSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN([C@H]4CC[C@H](C(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZGVCFHAAYUAE-MSEWRSJXSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN([C@H]4CC[C@@H](CC(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3668554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZGVCFHAAYUAE-IRJFHVNHSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN([C@H]4CC[C@H](CC(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYPUWZOEFAAXRB-MAEOIBBWSA-N", "SMILES:COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN([C@H]4CC[C@@H](C(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIJOGBQYCAXFRN-UWUNEBHHSA-N", "SMILES:COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN([C@H]4CC[C@@H](CC(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIJOGBQYCAXFRN-RUCARUNLSA-N", "SMILES:COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN([C@H]4CC[C@H](CC(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVGQRABQXNJRS-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(N4CCC(C(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSWFCORIUYZGGU-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(N4CCC(CC(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMCUOTZYJAWGFD-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(C4CCN(CC(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLNOLJCTACMNDP-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(c4ccc(CC(=O)O)cc4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPEXWMRLQXTKEW-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C4CCN(CC(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULBRYJHARDNUDV-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(N4CCN(CC(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJVZJVTXTSJYTG-UOMGBKJBSA-N", "SMILES:C=C1[C@H](OC(=O)c2cccnc2)C[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4860846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBGVCLMHVQJOY-GIPDBHOKSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]2[C@@H](C[C@@H](C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@H]13)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHXJOIFUBHRRJL-QXHDXIAUSA-N", "SMILES:CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H](CC[C@H]1C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJIUWSABAIXPGI-ZPOAGDITSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)CCCC(C)CCCC(C)C(=O)O)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4869499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJMZKOBSLDXUHY-YQHRJHOASA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)CC/C=C(\\C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4858254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJMZKOBSLDXUHY-ZRDHHNBMSA-N", "SMILES:C/C(=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4858451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQQCJRUKIGIIW-OQTZAMQXSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAVCYAUSHCEKED-KYVGBUAPSA-N", "SMILES:C/C(=C\\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(\\C)CCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4858148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOSYBYBDHVTALE-JRHGDCSUSA-N", "SMILES:C/C(=C\\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\\C)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMHIEGLNBRBZEI-JMCABQLHSA-N", "SMILES:C/C(=C\\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHTADLYGNAAHBX-XTHKTYPFSA-N", "SMILES:C/C(=C\\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1)CC/C=C(\\C)CCCC(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVABIMZPPYOGNI-SWHATTSASA-N", "SMILES:C/C(=C\\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\\C)CCCC(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKPFRMMLDXKLSX-OVVCESAVSA-N", "SMILES:COC(=O)C(C)CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDRBQWIGBBVMF-DZUMYVLOSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(CN(C)C)c(O)cc(C)c2O1)CC/C=C(\\C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUHVLERXBOHWNS-VIRYQLDASA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYGOUASLQXVTN-IAAPYCHFSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANARYCKWNGFEKA-IAAPYCHFSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)CCC=C(CO)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3092680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGDDDSACMVNOTI-TYYBOLKZSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCC=C(CO)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4860001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWLNWIYBGTXEH-QESPPMFYSA-N", "SMILES:C/C(=C\\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRJPYIEGCVPGF-NFKFNWMTSA-N", "SMILES:C/C(=C\\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCC(O)C(C)(O)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRUOAVGSNCOLY-BZWLWALNSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)CCC(=O)O)cc(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIHAUQIYRANKBK-HNSKJODESA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C=O)c(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFOZQKOAQUECCJ-QVUXMDAISA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(C=O)c(O)cc(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYCXTJMVVNMQTH-CGMFSFEBSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(CN3CCCC3)c(O)cc(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYROHUHUKYGFIX-GMGLMYAJSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(CN(C)C)c(O)cc(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LECLCKVOPRFEFO-GXPMFIHESA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(CN3CCOCC3)c(O)cc(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIUWMLSHQNDKMG-RPIXCULZSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(CN3CCCCC3)c(O)cc(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKCSJZHMYAXTKO-ADNGQAMHSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(CN3CCN(C)CC3)c(O)cc(C)c2O1)CCC=C(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJOAYJCGRJZGB-BSJBPABPSA-N", "SMILES:CC(=O)c1cc2c(C)c3c(c(C)c2oc1=O)CC[C@@](C)(CC/C=C(\\C)CC/C=C(\\C)CCC=C(CO)CO)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWQIDXRKIORTI-ZXIHRGIMSA-N", "SMILES:CC(=O)c1cc2c3c(c(C)cc2oc1=O)O[C@](C)(CC/C=C(\\C)CC/C=C(\\C)CCC=C(CO)CO)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIAVZYLLLFAIH-VDUKLLEGSA-N", "SMILES:CCOC(=O)c1cc2c3c(c(C)cc2oc1=O)O[C@](C)(CC/C=C(\\C)CC/C=C(\\C)CCC=C(CO)CO)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKSKENUHPJQVAW-LXOHKUSQSA-N", "SMILES:COc1ccc(C2OCC(=CCC/C(C)=C/CC/C(C)=C/CC[C@]3(C)CCc4cc(O)cc(C)c4O3)CO2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMCBIFNYGAIKGL-AWVBRANMSA-N", "SMILES:COc1ccc(C2OCC(=CCC/C(C)=C/CC/C(C)=C/CC[C@]3(C)CCc4c(C)c(O)c(CO)c(C)c4O3)CO2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUITXBTMRLDBU-CFBAFLTESA-N", "SMILES:C/C(=C\\CC/C(C)=C/CC[C@]1(C)CCc2c(CO)c(O)cc(C)c2O1)CCC=C1COC(c2ccc([N+](=O)[O-])cc2)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCORXIGZWZRPBY-RPVHZNDHSA-N", "SMILES:Cc1cc(O)cc2c1O[C@](C)(CCCC(C)CCCC(C)CCCC(C)C(=O)O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWAGHNBOTRCFAN-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKCZARPBQVUAP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPNYIOXLBPQAF-UHFFFAOYSA-N", "SMILES:c1[nH]nnc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGPVIGSUDIGHA-UHFFFAOYSA-N", "SMILES:c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XISZIZBEIKFINI-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(C)cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQCTGFUBGSCAM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKBXAIGQLGOOL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZLOYYQIHKJAI-UHFFFAOYSA-N", "SMILES:CC(C)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPRGSAMEQUWSEZ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBUFGGJMMUSBL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEDKUBSJJVMHTD-UHFFFAOYSA-N", "SMILES:NC1CCc2c(c(-c3c[nH]nc3C(F)(F)F)nc3ccc4[nH]ncc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOXGIGXASEFCC-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCc2c(c(-c3c[nH]nc3C(F)(F)F)nc3ccc4[nH]ncc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNZOSMHGRMUTM-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2c(c(-c3c[nH]nc3C(F)(F)F)nc3ccc4[nH]ncc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPBGKVKFLTKJT-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCc3c(c(-c4c[nH]nc4C(F)(F)F)nc4ccc5[nH]ncc5c34)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXFOVQKVXUOEG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CC(C(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWLUBUXQTWBTEJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCc2c(c(-c3c[nH]nc3C(F)(F)F)nc3ccc4[nH]ncc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAXSAOMTCOKDBJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLMDRPTTBWXIB-UHFFFAOYSA-N", "SMILES:[O-][S+]1CCc2c(c(-c3c[nH]nc3C(F)(F)F)nc3ccc4[nH]ncc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVHJEAUDYXOEQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CC(N1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPHPKKIPSWLBT-UHFFFAOYSA-N", "SMILES:OC1CCc2c(c(-c3c[nH]nc3C(F)(F)F)nc3ccc4[nH]ncc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODJCILBZFRVELA-UHFFFAOYSA-N", "SMILES:CC(=O)NC1CCc2c(c(-c3c[nH]nc3C(F)(F)F)nc3ccc4[nH]ncc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMEANLPGOCWAMD-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMVRUFVKKNNMQL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]nc(Cl)c3c2c2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBNCJIJBNRHMN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1cc(-c2ccncc2)c2c(ccc3[nH]ncc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUMARYQWTKVJMI-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1cc(C2CC2)c2c(ccc3[nH]ncc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMAFXPLOLABOEY-UHFFFAOYSA-N", "SMILES:CCc1c(C)c(-c2c[nH]nc2C(F)(F)F)nc2ccc3[nH]ncc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZCJLLKKSRUTOG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2c(N3CCCCC3)cc3[nH]ncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTJPZMIPDWESGB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2c(C(F)(F)F)cc3[nH]ncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZEZKSMIUTYGRU-UHFFFAOYSA-N", "SMILES:Fc1cc2[nH]ncc2c2c3c(c(-c4c[nH]nc4C(F)(F)F)nc12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBUHYDCTYUXFLT-UHFFFAOYSA-N", "SMILES:N#CC1CCc2c(c(-c3c[nH]nc3C(F)(F)F)nc3c(F)cc4[nH]ncc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAWBPBLABQUSRL-UHFFFAOYSA-N", "SMILES:Fc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4)nc12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMTKMRCNVGYHOZ-UHFFFAOYSA-N", "SMILES:Fc1cc2[nH]ncc2c2c3c(c(-c4c[nH]nc4C(F)(F)F)nc12)C1CCC3C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZLXWPAWBIAIB-UHFFFAOYSA-N", "SMILES:NCC1CCc2c(c(-c3c[nH]nc3C(F)(F)F)nc3c(F)cc4[nH]ncc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVVCBUMOFSHDAJ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]cc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDMBYYBIFXELDS-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3sncc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKVUCGADFNONL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]nnc3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKLWCNHGFBMIZ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c3c4c(c(-c5c[nH]nc5C(F)(F)F)nc3ccc21)CCCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQWLLLGWWFRTP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]nc(Cl)c3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDGXUOBMWOXIHO-UHFFFAOYSA-N", "SMILES:Fc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4c(c3c12)CCCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMCBDJTPIOLBR-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]nc(I)c3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBYAVEOYFSHPBT-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]nc(Br)c3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFWQJOFUNDIAZ-UHFFFAOYSA-N", "SMILES:OCc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4c(c3c12)CCCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMAQLJIXCUTUBC-UHFFFAOYSA-N", "SMILES:CN1CCN(CC#Cc2n[nH]c3ccc4nc(-c5c[nH]nc5C(F)(F)F)c5c(c4c23)CCCC5)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHVFNERWJYBEJN-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4c(c3c12)CCCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIMWHRAUOVOHGU-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4c(c3c12)CCC(N)C4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVLMEBWLNHJNA-UHFFFAOYSA-N", "SMILES:Cc1n[nH]cc1-c1nc2ccc3[nH]nc(C)c3c2c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALQGRUVODPMAP-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4c(c3c12)CCC(C#N)C4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLVHKVYPBUWOL-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(F)c3nc(-c4c[nH]nc4C(F)(F)F)c4c(c3c12)CCCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPASUWAUVPEWRH-UHFFFAOYSA-N", "SMILES:O=c1c2cc(NCc3ccccc3O)ccc2nc2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNIIZXAGWLPTRZ-UHFFFAOYSA-N", "SMILES:O=c1c2cc(NCc3cccc(Br)c3O)ccc2nc2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVQYUDLGIGPQTI-UHFFFAOYSA-N", "SMILES:O=c1c2cc(NCc3ccc(Cl)cc3O)ccc2nc2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBRQURQCPYHCP-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2ccc3nc4n(c(=O)c3c2)CCC4)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGJRCJIYVGSSQV-UHFFFAOYSA-N", "SMILES:O=c1c2cc(NCc3cc(Br)ccc3O)ccc2nc2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDTGQFZPCGXYQE-UHFFFAOYSA-N", "SMILES:O=c1c2cc(NCc3cc(F)ccc3O)ccc2nc2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFABMAWFPIKNHR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc3nc4n(c(=O)c3c2)CCC4)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGHPQGWCHCMYRN-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3n(c(=O)c2cc1NCc1ccccc1O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USWKFGHOSRPPQF-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3n(c(=O)c2cc1NCc1cccc(Br)c1O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYJAEYRVAJZLSF-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3n(c(=O)c2cc1NCc1ccc(Cl)cc1O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWVUFDZNTCBLDO-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2cc3c(=O)n4c(nc3cc2C)CCC4)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCMHRMMWHGUTE-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3n(c(=O)c2cc1NCc1cc(Br)ccc1O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNOCCNNEJJYNI-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3n(c(=O)c2cc1NCc1cc(F)ccc1O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYIGHVWTUBUKDT-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2cc3c(=O)n4c(nc3cc2C)CCC4)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RROCQWVRDHEKQM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(CO)cc2)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFIKFJBTCJZRX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(-c3ccc4c(c3)OCCO4)c2Cl)ccc1CNCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLJDIJJFRYUDL-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)c2Cl)cc1OCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLCXWCIEJPJACD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(-c3ccc4c(c3)OCCO4)c2Cl)ccc1CNC(CO)(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXZAHWOXLADSH-SFHVURJKSA-N", "SMILES:O=c1c2cc(F)ccc2nc([C@@H](Nc2ncnc3nc[nH]c23)C2CC2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUBLIHUYSRSFE-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHKJAHZIAGMCIK-KRWDZBQOSA-N", "SMILES:CCC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKJVNNCLVHGOA-SFHVURJKSA-N", "SMILES:CC(C)[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANYFGHOATOBSFY-SFHVURJKSA-N", "SMILES:O=c1c2c(F)cccc2nc([C@@H](Nc2ncnc3nc[nH]c23)C2CC2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQREODNXAHUCT-IBGZPJMESA-N", "SMILES:O=c1c2c(F)cccc2nc([C@@H](Nc2ncnc3nc[nH]c23)C2CCC2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDLMWZHWDLIHJ-KRWDZBQOSA-N", "SMILES:CCC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLQJQOSNYVMTK-SFHVURJKSA-N", "SMILES:CC(C)[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCBQRLIGJTEDT-SFHVURJKSA-N", "SMILES:O=c1c2c(Cl)cccc2nc([C@@H](Nc2ncnc3nc[nH]c23)C2CC2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSRXNFTFHNQAG-IBGZPJMESA-N", "SMILES:O=c1c2c(Cl)cccc2nc([C@@H](Nc2ncnc3nc[nH]c23)C2CCC2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFOWKCXUALRQN-IBGZPJMESA-N", "SMILES:Cc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUNTIUERLPKIG-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(N)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUZUSSFUQCQFS-HNNXBMFYSA-N", "SMILES:CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(N)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDBKFTVYYBTJD-SFHVURJKSA-N", "SMILES:Nc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRVQQAKZXWAHMX-KRWDZBQOSA-N", "SMILES:CCC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBHXVOCZBPADE-SSEXGKCCSA-N", "SMILES:Cc1c(-c2c(-c3ccc(F)o3)sc3ncnc(O[C@H](Cc4ccccc4OCc4ccnn4CC(F)(F)F)C(=O)O)c23)ccc(OCCN2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLCDDOQNUXEIAF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2cc(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVDQOQTEKIAEM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2cc(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNISFUZKCTXGFE-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2cc(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297482", "category": ["biolink:ChemicalEntity"], "name": "AZD-5991", "xref": ["InChIKey:KBQCEQAXHPIRTF-UHFFFAOYSA-N", "SMILES:Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13"], "synonym": ["Azd 5991", "Azd-5991", "Azd5991", "AZD-5991", "AZD5991"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEQRIOYRHZILK-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWSHBVOXQWUCC-UHFFFAOYSA-N", "SMILES:CCc1c(S(=O)(=O)c2ccc(C)cc2)c(CC)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGODOIMZRLPSFK-UHFFFAOYSA-N", "SMILES:CCc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C(=O)O)n1CCCOc1cc(C)c(Cl)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVFLUAJSVDNAE-UHFFFAOYSA-N", "SMILES:CCc1c(S(=O)(=O)c2ccc(C)cc2)c(C)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBUTZKQLMFDAD-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2cn(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)O)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXZLKBPFRUFTQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIKJNMGJOMJSW-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2c(CC(C)C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVPAIYHDJLFEJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUUHRNWNWTBAY-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)Cc3ccccc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEACXKRVVUPMHJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccccn3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQFIIMPZCAKRY-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccncc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTQVQYCNRBOOE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3cccs3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQBWKTVFBRXHHI-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3cccc4ccccc34)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOXOWEDKUFGXDZ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccccc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PREJIDHOJMIZMU-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccccc1S(=O)(=O)c1c(C)c(C(=O)O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDSUNGPTLNIFE-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)c1c(C)c(C(=O)O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZEOHSQNAJNCNO-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccccc3O)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMKOTIUDYGFPU-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDYJJSREURFPKB-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJTMDJNLFYUJPY-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3cccc(Br)c3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSLOBFSUNRXOK-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3cccc(O)c3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKUKBCVJQXCFKM-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMKTWALCDJPRKY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTXZNIZKEYUMED-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(Br)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDPULETYNXSHAQ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(O)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDMNFKHKZBRGK-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQYTGYKQNADHO-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(C(C)C)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZNUNTLNQMKJGP-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOQYRVJHFEGRT-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVUCBTVMSAJGX-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(-c4ccccc4)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBBWLSCZUIKQW-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(C(=O)c4ccccc4)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKVOILNGILNPM-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGMIUIGEUDZJY-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(F)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLQPPBJQSDFMZ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(Cl)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQPMDQMQDNKBO-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGHHIGVYLRUJI-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(C(=O)O)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGUWZPIVGCOJB-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(N)cc3)c(C)c2C(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODGQNOIBMPUAB-GRADPPADSA-N", "SMILES:COc1cncc2c1[C@]1(O)[C@@H](CN)C[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCPUWFSNYYVGW-MSRUBZGQSA-N", "SMILES:COc1cncc2c1[C@]1(O)[C@@H](CN(C)C)[C@H](CO)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBSCQLDBFWJGG-KAOJSAQUSA-N", "SMILES:COc1cncc2c1[C@]1(O)[C@@H](CN)C[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDWZKFZPGWZUHU-UPIYQZMDSA-N", "SMILES:COc1cncc2c1[C@]1(O)[C@@H](CN)[C@H](CO)[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZAMGVLOVUUBG-MSRUBZGQSA-N", "SMILES:COc1cncc2c1[C@]1(O)[C@@H](CNC3COC3)[C@H](CO)[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFRZKYZIXROIRF-PUOQHSKASA-N", "SMILES:COc1cncc2c1[C@]1(O)[C@@H](CN3CCOCC3)[C@H](CO)[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXVWVOWASHEBB-XKDOBVCESA-N", "SMILES:C[C@@H]1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](NC(=O)OCc2ccccc2)CCCCNC(=N)NCCC[C@H](C(=O)N[C@@H](CCCCNC(=O)c2cnco2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMWHQHXGOAVFPQ-DYXPKBHBSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@@H]1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](NC(=O)OCc2ccccc2)CCCCNC(=N)NCCC[C@H](C(=O)N[C@@H](CCCCNC(=O)c2cnco2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCUILUOVPQPND-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1coc2cc(-c3cccc(O)c3)ccc12"]}
{"name": "Thiol:disulfide interchange protein DsbA", "xref": ["CHEMBL.TARGET:CHEMBL3559645"], "id": "UniProtKB:P0AEG4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYTREUVWMDHJCQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(CC(=O)O)coc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWCWRXMGFVMFPR-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc3c(CC(=O)O)coc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNHZAGPKVYWRGU-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1coc2ccc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIXZLSWUYGJHOL-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1coc2cc(-c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNOCXUNZPALLH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(CC(=O)O)coc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTHJFVRWRCDLRG-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1coc2cc(-c3cccc(C(F)(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPEJTEZYXSGVKK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(CC(=O)O)c(-c4cccc(OC)c4)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZSONHMMMFCHKL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(-c4cccc(OC)c4)ccc3c2CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXXURMYRXBYXOG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(CC(=O)O)c(-c4cccc(C(=O)O)c4)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIUGGWKGDIEIM-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1coc2cc(-c3cccc(C(=O)O)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZAIIZWNTQJXHB-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)NCCCCCCNCC(=O)C2CC3CCC2C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOBQKWDDRYWOS-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCc2ccc(CNC(=O)c3cccc(-c4cccnc4)c3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYNDGDTJMAKRS-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCCCCCCNC(=O)c2cccc(-c3cccnc3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXCNRSUDBMOURN-UHFFFAOYSA-N", "SMILES:O=C(NCCOCCOCCOCCNC(=O)c1cccc(-c2cccnc2)c1)c1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVJLMIYFTGZFPN-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCc2ccc(CNC(=O)c3cn4c5c(c(N6CCN(C)CC6)c(F)cc5c3=O)OCC4C)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDTYQFYTOAQODV-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCCCNC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OCC3C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVBVBYQEZZCZFP-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCCCCCCNC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OCC3C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDQFJVLRXHPVPG-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCCOCCOCCNC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OCC3C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKSAIVXLUQBGP-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCCOCCOCCOCCNC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OCC3C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNBVFKPHUIOTMG-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCc4ccc(CNC(=O)c5cn6c7c(c(N8CCN(C)CC8)c(F)cc7c5=O)OCC6C)cc4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHFSYMJHWFTPRG-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCCNC(=O)c4cn5c6c(c(N7CCN(C)CC7)c(F)cc6c4=O)OCC5C)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWKAYKMKVQCGGB-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCOCCOCCNC(=O)c4cn5c6c(c(N7CCN(C)CC7)c(F)cc6c4=O)OCC5C)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTCYLFSNESJDGE-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCOCCOCCOCCNC(=O)c4cn5c6c(c(N7CCN(C)CC7)c(F)cc6c4=O)OCC5C)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWFALKGCQVOBSK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CNC(=O)c2cccc(-c3cccnc3)c2)cc1)c1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEOHOZDGWGFGNA-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNC(=O)c1cccc(-c2cccnc2)c1)c1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTPYNHOOCJVUSK-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCCCNC(=O)c2cccc(-c3cccnc3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJEDDEDJFDYMNZ-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCCOCCOCCNC(=O)c2cccc(-c3cccnc3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKHNQCDEKDVEKJ-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCCOCCOCCOCCNC(=O)c2cccc(-c3cccnc3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFOUEKATRAGBCH-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCc4ccc(CNC(=O)CCc5nc(-c6ccncc6)no5)cc4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQQUIVOBKZVTMH-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCCNC(=O)CCc4nc(-c5ccncc5)no4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXZSVGQQRZKRNY-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCCCCCNC(=O)CCc4nc(-c5ccncc5)no4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKHYSANQCHZFBD-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCOCCOCCNC(=O)CCc4nc(-c5ccncc5)no4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXHRWIPCABTZTM-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCOCCOCCOCCNC(=O)CCc4nc(-c5ccncc5)no4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBJVRMBHBBJTSO-UHFFFAOYSA-N", "SMILES:O=C(NCCOCCOCCNC(=O)c1cccc(-c2cccnc2)c1)c1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZAZNZVMIMXQW-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)NCc2ccc(CNCC(=O)C3CC4CCC3C4)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOOBMGDRKYOBA-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)NCCCNCC(=O)C2CC3CCC2C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVXQDPZFIZBNLW-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)NCCOCCOCCNCC(=O)C2CC3CCC2C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUAWADBHBOWPY-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)NCCOCCOCCOCCNCC(=O)C2CC3CCC2C3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZUAHAJHTJHMBK-MGBGTMOVSA-N", "SMILES:CN(CCCN1c2ccccc2CCc2ccccc21)C(=O)CCCCCNC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARTVLAEBFUNAM-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N(C)CCCN4c5ccccc5CCc5ccccc54)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXBHTORLRKPPMR-UHFFFAOYSA-N", "SMILES:CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCCCCC(=O)N(C)CCCN4c5ccccc5CCc5ccccc54)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUJPFHGUYPOGGU-UHFFFAOYSA-N", "SMILES:CSCC(=O)N(C)CCCN1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVWYUDQAJNUNT-UHFFFAOYSA-N", "SMILES:CSCC(=O)NCCCCCC(=O)N(C)CCCN1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAROZUBOLLPGLB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OCC2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJEGAMHXVWSGDH-UHFFFAOYSA-N", "SMILES:CNC(=O)CSC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIJPERBRGUFFJE-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCn1cc(CCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYHTUFBADYIIAZ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCn1cc(COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AULDYUVAHLAHSB-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCn1cc(CCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMRZSIYJHUPRO-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCn1cc(CCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLUGVXVYDBEAJK-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCn1cc(CCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUHXYCBNJLFZAA-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCn1cc(COCCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVMHCIRXAZNHRP-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCn1cc(COCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYIWAYWPCBANG-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCn1cc(COCCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNKKZCEOHGSSB-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCn1cc(COCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVJILPHYKDCDBK-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCCn1cc(COCCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUBLQVPQFQWFHG-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCCn1cc(COCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBCSNDJFDISCQT-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCn1cc(COCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADFKAIJDZZPGX-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCn1cc(COCCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTYBCCGNUYFAGZ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCn1cc(COCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDXNFFZWFYMNA-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCn1cc(COCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKNFKSDJWRCQR-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCn1cc(COCCOCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKJZGFQQUSEPES-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cn1cc(COCCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRWWIFBSCNBTI-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cn1cc(COCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZFDFNROHWLHHX-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cn1cc(COCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSDOHOWSWPEMV-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cn1cc(COCCOCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBOVAPPVCQMQX-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1Cn1cc(COCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURNXNDQRVIEGR-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1Cn1cc(COCCOCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLIIFHUIQJQFV-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cn1cc(COCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFDREINVDKTNGF-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1Cn1cc(COCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGJWMWMMBRESO-LBPRGKRZSA-N", "SMILES:Cc1c(C(N)=O)sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPYGNKXLRNGEZ-LBPRGKRZSA-N", "SMILES:Cc1c(C(N)=O)sc2ncn(Cc3nc(C[C@H](O)c4cc5ccccc5o4)no3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHLYYCFCKJWHC-LBPRGKRZSA-N", "SMILES:Cc1c(C(N)=O)sc2ncn(Cc3nc(C[C@H](O)c4cc(F)cc(F)c4)no3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFBRLGZGJYISU-NSHDSACASA-N", "SMILES:Cc1c(C(N)=O)sc2ncn(Cc3nc(C[C@H](O)c4ccc5c(c4)OCO5)no3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOXGCOKYWRDUFO-LBPRGKRZSA-N", "SMILES:CNC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc5c(c4)OCO5)no3)c(=O)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEABNWALVFPWDZ-ZDUSSCGKSA-N", "SMILES:CNC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBZINAVQQWCRAE-ZDUSSCGKSA-N", "SMILES:Cc1c(C(=O)NCC(F)F)sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDSKJYIDUAKKF-HNNXBMFYSA-N", "SMILES:Cc1c(C(=O)NCC(C)(C)O)sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGKMZNQCTOWDFF-ZDUSSCGKSA-N", "SMILES:O=C1NCCc2c1sc1ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOBJXYFMGNTIEM-JTQLQIEISA-N", "SMILES:NC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHRWSSOSGNJVOC-MUUNZHRXSA-N", "SMILES:Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGEUONPNSKKQER-RUZDIDTESA-N", "SMILES:Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CC4)c3c2)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBXSSAAUAOJIK-MUUNZHRXSA-N", "SMILES:Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(F)cc4)c3c2)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLFHNZKPFLBQZ-DDRJZQQSSA-N", "SMILES:Oc1cc(N2CCc3c(nc(OCC4(CN5CC[C@@H](F)C5)CC4)nc3N3CC4CCC(C3)N4)C2)c2c(Br)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUEMNZQTVGHAFW-UHFFFAOYSA-N", "SMILES:Oc1cc(N2CCc3c(nc(OCC4(CN5CCOCC5)CC4)nc3N3CC4CCC(C3)N4)C2)c2c(Br)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCEQDHUJBGSRCC-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc(O)cc(N3CCc4c(nc(OCC5(CN6CCOCC6)CC5)nc4N4CC5CCC(C4)N5)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMVKPNYMHIQISO-UHFFFAOYSA-N", "SMILES:CN(C)CC1(COc2nc3c(c(N4CC5CCC(C4)N5)n2)CCN(c2cc(O)cc4cccc(I)c24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGBGHJWRZJRRU-DDRJZQQSSA-N", "SMILES:Oc1cc(N2CCc3c(nc(OCC4(CN5CC[C@@H](F)C5)CC4)nc3N3CC4CCC(C3)N4)C2)c2c(I)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSOTQXCCZLZSY-UHFFFAOYSA-N", "SMILES:Oc1cc(N2CCc3c(nc(OCC4(CN5CCOCC5)CC4)nc3N3CC4CCC(C3)N4)C2)c2c(I)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHSIXLLEHGTEPP-UHFFFAOYSA-N", "SMILES:CN(C)CC1(COc2nc(N3CC4CCC(C3)N4)c3cc(F)c(-c4cc(O)cc5ccccc45)c(F)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENDPUNJOAYDDS-UHFFFAOYSA-N", "SMILES:CN(C)CC1(COc2nc3c(c(N4CC5CCC(C4)N5)n2)CCN(c2cc(O)cc4cccc(Br)c24)C3)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNEKKHGYCJBYOS-UEKLYDJUSA-N", "SMILES:CN1C[C@H](F)C[C@H]1COc1nc2c(c(N3CC4CCC(C3)N4)n1)CCN(c1cc(O)cc3cccc(Br)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFCNUSBTDRVBSM-UHFFFAOYSA-N", "SMILES:CN(C(=O)F)c1ccn2c(=O)c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(C(F)(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMPWZHAMMRBMA-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cnn(CCC(F)(F)F)c2)c(C(F)(F)F)nc2ccc(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZAMUSYHUVFPMP-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C(F)(F)F)c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLIIBNZHOFAMP-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cnn(CC(F)(F)C(F)(F)F)c2)c(C(F)(F)F)nc2ccc(F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFYHFHCTGWRHSR-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cnn(CCC(F)(F)F)c2)c(C(F)(F)F)nc2ccc(F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIUPLPUVPKKLP-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(C(F)(F)F)c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(=O)n2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJOUUOIKXGQEOY-UNMCSNQZSA-N", "SMILES:Clc1cc(Cl)cc(CO[C@H]2CCCN(Cc3ncc[nH]3)[C@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQODIGIPBJPMT-PIPMEXSNSA-N", "SMILES:COC(=O)Nn1c(C[C@H]2CCC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQBZQDZZVRIEKI-GMAHTHKFSA-N", "SMILES:Cn1ccnc1CN1CCC[C@H](OCc2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVPVQVCHAFYLX-GOTSBHOMSA-N", "SMILES:Cn1cc(CN2CCC[C@H](OCc3cc(Cl)cc(Cl)c3)[C@@H]2c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMDFMUSXOUJASR-ZEQRLZLVSA-N", "SMILES:Clc1cc(Cl)cc(CO[C@H]2CCCN(Cc3cccnc3)[C@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTMDFMFBNWYKC-ZEQRLZLVSA-N", "SMILES:O=C(O)c1cncc(CN2CCC[C@H](OCc3cc(Cl)cc(Cl)c3)[C@@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUXAQWJDFRQMTO-DQEYMECFSA-N", "SMILES:O=C(O)c1ccc(CN2CCC[C@H](OCc3cc(Cl)cc(Cl)c3)[C@@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENUKLQKXSDNOM-DQEYMECFSA-N", "SMILES:Clc1cc(Cl)cc(CO[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)[C@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSSJLXCGDNXRR-UIOOFZCWSA-N", "SMILES:COc1ccc(C(=O)O)cc1CN1CCC[C@H](OCc2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYOOXMXQFUFBKH-AHWVRZQESA-N", "SMILES:COc1cc(C(=O)O)ccc1CN1CCC[C@H](OCc2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHIYYCUTSNOOKM-GMAHTHKFSA-N", "SMILES:O=C(O)c1ccc(CN2CCC[C@H](OCc3cc(Cl)cc(Cl)c3)[C@@H]2c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JARBLBKXVWYQTM-ZCNNSNEGSA-N", "SMILES:CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZXIDKITZBQUAW-XJUOHMSHSA-N", "SMILES:OC[C@@H](O[C@H]1CCCN(Cc2ncc[nH]2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHFCKKJFKXZMCC-GVAUOCQISA-N", "SMILES:O=C(O)c1cncc(CN2CCC[C@H](O[C@H](CO)c3cc(Cl)cc(Cl)c3)[C@@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGWIUKYUKCCQNT-NXCFDTQHSA-N", "SMILES:O=C(O)c1ccc(CN2CCC[C@H](O[C@H](CO)c3cc(Cl)cc(Cl)c3)[C@@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIBLLXVIMHLCX-NXCFDTQHSA-N", "SMILES:OC[C@@H](O[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJEJYZMDGRXRFJ-GKRYNVPLSA-N", "SMILES:OC[C@@H](O[C@H]1CCCN(Cc2ccccc2Cc2nnco2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFHZLUGDUYRKU-GSLIJJQTSA-N", "SMILES:OC[C@@H](O[C@H]1CCCN(Cc2cccc3nonc23)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTWOGEHBLBGZDY-IARZGTGTSA-N", "SMILES:O=C(O)c1ccc2c(CN3CCC[C@H](O[C@H](CO)c4cc(Cl)cc(Cl)c4)[C@@H]3c3ccccc3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYBIDSOBSYRIO-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)NCc1cccc(O)c1)c1ccc(Cl)cc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURRKLHFGDXWKJ-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)NCc1ccccc1O)c1ccc(Cl)cc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUBRMMNSWNGBJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(CNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNTLSSYJFBBWBP-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHSHSZQDDZYSO-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQVDZXBQOZYPQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDRNDOZRQYURNN-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRWWTWJCZRPWRR-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)NCc1ccc(O)cc1)c1ccc(Cl)cc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGORKYBJTVDCH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1CNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRYGMWXTJZDPLB-UHFFFAOYSA-N", "SMILES:Nc1cccc(CNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMMXAMWTPZLAF-UHFFFAOYSA-N", "SMILES:Nc1ccc(CNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCANBMORBYYNO-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)Nc1ccccc1)c1ccc(Cl)cc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBIDKBUABPVHK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXZRFCJTICLNCP-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBUPXDHQOWGVRW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFUMUFBSPDROU-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AINMNVYEIUFMJF-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)Nc1ccccc1O)c1ccc(Cl)cc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKYCHDNEVEPSL-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)Nc1cccc(O)c1)c1ccc(Cl)cc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMNUXFGHKHIDI-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)Nc1ccc(O)cc1)c1ccc(Cl)cc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PATYDKPLTHCAIE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXJRWRWPVXYDC-UHFFFAOYSA-N", "SMILES:Nc1cccc(NC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWENHSGSNSQFRW-UHFFFAOYSA-N", "SMILES:Nc1ccc(NC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLNQHDMSLPBCU-SECBINFHSA-N", "SMILES:O=C(C[C@@H](CCO)c1ccc(Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKGAIHIFOJBCT-SSDOTTSWSA-N", "SMILES:O=C(C[C@@H](CCO)c1ccc(Cl)cc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLNQHDMSLPBCU-VIFPVBQESA-N", "SMILES:O=C(C[C@H](CCO)c1ccc(Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKGAIHIFOJBCT-ZETCQYMHSA-N", "SMILES:O=C(C[C@H](CCO)c1ccc(Cl)cc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHTVNGQTIZAFS-BYPYZUCNSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPXGPACRTHMNQJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)CC1(C2)NC(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLIYOROHHWHGX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJNFUKYWWSXYPS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)CC1(C2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVNCBCLKYSFQV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZLQDQOPOVWHH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXISWALVVXLANL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)CC1(C2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSOXYLPJNGFAT-UHFFFAOYSA-N", "SMILES:CN1C(=S)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=O)C12Cc1ccc(OC3CCNCC3)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBVBCFCFVJNCF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLMJPQITNEESX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSDYYYOPSLTGD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWTVJGAPYBZJM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZOGAMMPPUPHGK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQSIUJDCMFXJD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMOFOYJGYHPOON-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQHIEJWSYVSST-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBVBCFCFVJNCF-QFIPXVFZSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)C[C@@]1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLMJPQITNEESX-QHCPKHFHSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)C[C@@]1(C2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBVBCFCFVJNCF-JOCHJYFZSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)C[C@]1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLMJPQITNEESX-HSZRJFAPSA-N", "SMILES:CNC(=O)c1cc2c(cc1F)C[C@]1(C2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIYUFTVAWMTBHU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)CC1(C2)NC(=S)N(c2cnc(C#N)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKBTIIFDINVHA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)nc3)C(=O)C23CCC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXFYIHVUJKIJBT-UHFFFAOYSA-N", "SMILES:Cc1ncc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODNVLPFPDYVJB-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCCOc2cncc(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMARPARBLCIZNT-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCCOc2ccc(Cl)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNESRDXUJUOVAO-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKIZTYNNLWGANX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMMXFEOINBGWDF-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDROSUXQHSGIU-UHFFFAOYSA-N", "SMILES:COc1cc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKLBBBTCDBKSC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMWICAXZEKCUFD-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCCOc2ccc(C(=O)O)c(F)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODPMYJCBOFHPO-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCCOc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIPDNLFHIMRYJV-ZDUSSCGKSA-N", "SMILES:Cc1c(OC[C@H](C)Oc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIPDNLFHIMRYJV-CYBMUJFWSA-N", "SMILES:Cc1c(OC[C@@H](C)Oc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOLZTFZHTJJOAX-AWEZNQCLSA-N", "SMILES:COc1ccc(C(=O)O)cc1O[C@@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOLZTFZHTJJOAX-CQSZACIVSA-N", "SMILES:COc1ccc(C(=O)O)cc1O[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOGNCLWOGXPXSG-ZDUSSCGKSA-N", "SMILES:Cc1c(O[C@@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOGNCLWOGXPXSG-CYBMUJFWSA-N", "SMILES:Cc1c(O[C@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMAUJIFOEHPQTP-AWEZNQCLSA-N", "SMILES:COc1ccc(C(=O)O)cc1OC[C@H](C)Oc1ccc(C(=O)CC(C)(C)C)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMAUJIFOEHPQTP-CQSZACIVSA-N", "SMILES:COc1ccc(C(=O)O)cc1OC[C@@H](C)Oc1ccc(C(=O)CC(C)(C)C)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVSWSSRFZFCEF-CQSZACIVSA-N", "SMILES:Cc1c(OC[C@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVSWSSRFZFCEF-AWEZNQCLSA-N", "SMILES:Cc1c(OC[C@@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZICFKHMHKUSKA-HNNXBMFYSA-N", "SMILES:COc1ccc(C(=O)O)cc1OC[C@@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZICFKHMHKUSKA-OAHLLOKOSA-N", "SMILES:COc1ccc(C(=O)O)cc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPAGRTICLPZMOP-CQSZACIVSA-N", "SMILES:Cc1c(OC[C@@H](C)COc2cc(C(=O)O)ccc2F)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSVYVPMARUKMT-AWEZNQCLSA-N", "SMILES:Cc1c(OC[C@@H](C)COc2ccc(Cl)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGJUTIJDQPRPK-OAHLLOKOSA-N", "SMILES:COc1cc(C(=O)O)ccc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIWGOKKQENZUEK-HNNXBMFYSA-N", "SMILES:Cc1cc(C(=O)O)ccc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXKOPCFBGVEAGB-CQSZACIVSA-N", "SMILES:Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSZYGNJLBIEBM-CQSZACIVSA-N", "SMILES:Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)cc2Cl)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAXBIGNQIHRRQY-HNNXBMFYSA-N", "SMILES:Cc1cc(OC[C@H](C)COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCVXTQKXFAQPZ-AWEZNQCLSA-N", "SMILES:Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)c(F)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAMRUFJWWNIXOZ-AWEZNQCLSA-N", "SMILES:Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIPNTVPEUXIEFW-HNNXBMFYSA-N", "SMILES:COc1cc(OC[C@H](C)COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVCDBMMAWNJOKI-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCCOc2ccc(F)c(C(=O)N(C)C)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMKWSOJCEHNZFT-QGZVFWFLSA-N", "SMILES:COc1ccc(C(=O)N(C)C)cc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYXHXJAXJWNDTN-HNNXBMFYSA-N", "SMILES:Cc1ccc(OC[C@H](C)COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBLJBBFFCUBAKT-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUHSMZDRORCCK-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCCOc2ccc(F)c(C(N)=O)c2)ccc(C(=O)CC(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZRNTJWIIZZCM-HNNXBMFYSA-N", "SMILES:Cc1c(OC[C@@H](C)COc2ccc3c(c2)C(=O)NC3)ccc(C(=O)CC(C)(C)C)c1O"]}
{"name": "Metabotropic glutamate receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL3824"], "id": "UniProtKB:Q9QYS2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFDVONNVFXYEP-MCJVGQIASA-N", "SMILES:CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTKRYFYNWYZUAN-ROUUACIJSA-N", "SMILES:CC(=O)NC[C@@H]1OC(=O)N2Cc3cc(-c4ccc(C#N)nc4)c(F)cc3O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1876217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNCIJMRFIRKERM-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPDSPUGDQIDOX-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nc(Cc2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZMTSRVPSGZIV-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSJZQNILAOWDQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPVLOOZQSCZSSX-UHFFFAOYSA-N", "SMILES:COC(C)(C)CCc1c(O)c(O)cc2oc3c4c(c(CC=C(C)C)c(O)c3c(=O)c12)OC(C)(C)C=C4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLRHJLFVYIFBN-UHFFFAOYSA-N", "SMILES:N#CC1=C(C#N)c2ccc(N3CCSCC3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRESQISEHWJSRZ-UHFFFAOYSA-N", "SMILES:N#CC1=C(C#N)c2ccc(Sc3ccccc3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRQIPIGZMJXAY-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Sc2ccc3c4c(cccc24)C(=O)C(C#N)=C3C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAZFSTXMLTYSU-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2ccc3c4c(cccc24)C(=O)C(C#N)=C3C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBBBEZWKRHRNK-UHFFFAOYSA-N", "SMILES:N#CC1=C(C#N)c2ccc(SC3CCCC3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BICGNNHNJDMZOI-UHFFFAOYSA-N", "SMILES:N#CC1=C(C#N)c2ccc(SC3CCCCC3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCHBEYLDFBVQTP-UHFFFAOYSA-N", "SMILES:N#CC1=C(C#N)c2ccc(NCc3ccccc3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQJVUVPQRRACY-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCc2ccccc2)c2ccc(SC3CCCCC3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYDSXSLZLCTFGP-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCC2CCCCC2)c2ccc(SC3CCCCC3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBPLMUMOHSSLB-UHFFFAOYSA-N", "SMILES:CCCCNC1=C(C#N)C(=O)c2cccc3c(SC4CCCCC4)ccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIIUXTZZTLLVGX-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCCO)c2ccc(SC3CCCCC3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXSQQAXRFLXGKQ-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCCC(N)=O)c2ccc(SC3CCCCC3)c3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKRPQRSSEXWFJE-UHFFFAOYSA-N", "SMILES:N#CC1=C(NCCN2CCOCC2)c2ccc(SC3CCCCC3)c3cccc(c23)C1=O"]}
{"name": "Stress-70 protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4295757"], "id": "UniProtKB:P38646", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFRDNXJGBBFBBF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKVDCBPQTYVJN-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZDTVSFMBOPOC-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-n4cnc(C5CC5)c4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSWLJXRMCFUPOG-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKFGJDMUBRJPX-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(=O)NC4CC4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIPFBRHOLOACR-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUQLDCACGWBCKU-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(=O)Nc4cnn(C)c4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQGWVQDWLUOSQY-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(S(C)(=O)=O)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBYJGCHVDJJRDP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSNBGSBYQTXCR-UHFFFAOYSA-N", "SMILES:COCn1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGSDWTTYOCVDFS-UHFFFAOYSA-N", "SMILES:CCOC(C)n1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYYPFKEIKWOFZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cnn(C)c4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZEZXUQBWXSKAQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cnn(C5CCOCC5)c4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPRIFOPXEZXAOQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4ccnn4C)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRFUCZRWDLUKAM-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-n4cnc(C5CC5)n4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJVEEYUMCWREY-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cccnc4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHBXSMZBOTNJK-UHFFFAOYSA-N", "SMILES:c1cc(-c2n[nH]c3ccc(-c4nncn4C4CC4)cc23)cc(-n2cnc(C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKMFYECRYATMFG-UHFFFAOYSA-N", "SMILES:c1cc(-c2n[nH]c3ccc(-c4nncn4C4CCC4)cc23)cc(-n2cnc(C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFRMYOXSKHAAOK-UHFFFAOYSA-N", "SMILES:c1cc(-c2n[nH]c3ccc(-c4nncn4C4CCCC4)cc23)cc(-n2cnc(C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQEGJBZYRHQEHD-UHFFFAOYSA-N", "SMILES:c1cc(-c2n[nH]c3ccc(-c4nncn4C4CCCCC4)cc23)cc(-n2cnc(C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKBUZKKCXNSNBU-UHFFFAOYSA-N", "SMILES:c1cc(-c2n[nH]c3ccc(-c4cn[nH]c4)cc23)cc(-n2cnc(C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKCKODMQNKHQBI-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3ccc(N4CCOCC4)c(-n4cnc(C5CC5)c4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQOBTLSVLYGGF-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)cc(-n4cnc(C5CC5)c4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKQPFZJBFWCNS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZENAXMDBEGZACM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)cc(-n2cnc(C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKISLUVWDXKLL-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cnc(C3CC3)c2)cc1-c1n[nH]c2ccc(-c3nncn3C(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPMDUZEJZRKTL-UHFFFAOYSA-N", "SMILES:CCOC(C)n1cc(-c2cncc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCSZCGNEYLDGF-ZSQFBXSQSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVONONAIXMHFG-IEZKXTBUSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCNC1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUBPZWAEVYXRT-IEZKXTBUSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCNC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCSZCGNEYLDGF-UCGXPXSYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVONONAIXMHFG-GVXSCFBNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCNC1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUBPZWAEVYXRT-GVXSCFBNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCNC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBKVXTVDXOQSJH-KKUQBAQOSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKQSBLOPLAHSK-CCDWMCETSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOPMYMGFAOWOQE-CCDWMCETSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTOMRLCGHVNSKO-IZZNHLLZSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBUERXIOZEVTJ-LOSJGSFVSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1CCNCC1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQLLTRANPGQKDF-LOSJGSFVSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1CCNCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGNBXGDXRKLBII-DURWQBQJSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKACOTBQIAXUOJ-ZSQFBXSQSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMQRXLDQVOPBLV-ZSQFBXSQSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGEXQIUVSGWABP-DURWQBQJSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC[C@@H]2CCCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACWTLYMDWLMTA-ZSQFBXSQSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCCNC1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKRYVKJLBSLBGE-ZSQFBXSQSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCCNC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGEXQIUVSGWABP-MSLLRLGPSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC[C@H]2CCCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACWTLYMDWLMTA-UCGXPXSYSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@H]1CCCNC1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKRYVKJLBSLBGE-UCGXPXSYSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@H]1CCCNC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQNSRMIDLWWUGD-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cccc2Cl)c2ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRDHLZWZNIPMP-UHFFFAOYSA-N", "SMILES:Cc1nc2c(N)ncn(Cc3c(Cl)cccc3Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYROFGYMSYCDMI-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(-c3ccccc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLATXLEFZRFRL-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(Br)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDMXOIATJABMN-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(Cl)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPEYZJPHGVXJBX-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(-c3ccccc3Cl)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBRAGOCJZWACFJ-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(-c3cccc(Cl)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDUGWROKUFEEA-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(-c3ccc(Cl)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAGNWWLJSOJIFV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc2c(N)ncn(Cc3c(Cl)cccc3Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLJUJYCPXCAJS-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc3c(N)ncn(Cc4c(Cl)cccc4Cl)c-3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWSZGUZSPRYQOD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3c(N)ncn(Cc4c(Cl)cccc4Cl)c-3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAJJLMXPIZQXNG-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(-c3ccccc3F)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNPSYRRSCBLLFV-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(-c3cccc(F)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQDLJGFWAFTDK-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cccc2Cl)c2nc(-c3ccc(F)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSAAHUULPZQWOY-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc2c(N)ncn(Cc3c(Cl)cccc3Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDBGUNZLEDWMQJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1nc2c(N)ncn(Cc3c(Cl)cccc3Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296739", "category": ["biolink:ChemicalEntity"], "name": "3-BENZYLADENINE", "xref": ["InChIKey:ZRRXJVVXTVXDII-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2ccccc2)c2ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3228662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDNHXTXPJPKDM-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2ccccc2Cl)c2ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3228665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYYFWGOHHYUHZ-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2ccc(Cl)cc2Cl)c2ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3228663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIXDRHBFJHHHV-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2cccc(Cl)c2)c2ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3228664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGWAEWVHBHIJKP-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2ccc(Cl)cc2)c2ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBAYXAGJQQVGG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Cn1cnc(N)c2ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNIIJGMSOSTDR-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2c(Cl)cncc2Cl)c2ncnc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVQGPPRBCFJWSO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc2c(N)ncn(Cc3c(Cl)cncc3Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDZHOFTPOBEGT-KEHHCENVSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKRQHKIWUTWJI-YQEUNXDASA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWIZACSHBLPYME-YXZQVLARSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)NCc4cn(-c5ccccc5)nn4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHBPOUUPKQCRM-YXZQVLARSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)NCc4cn(-c5ccc(Cl)c(Cl)c5)nn4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDIAQZFVBTVFHD-YXZQVLARSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)Nc4cnc5ccccc5c4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDHHUPCVTBAWJA-YXZQVLARSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)Nc4ccnc5ccccc45)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIVILXLMDNKNLB-YXZQVLARSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)Nc4cccc5ncccc45)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVBWVIBARVMAL-YXZQVLARSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)Nc4ccc5ncccc5c4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFJLBYTNNKIKG-XJNOSGGDSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)Nc4cccc5cccnc45)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMDGZGIOYMSHRN-MPOPNXFASA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCCOc4cnc5ccccc5c4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKZDKPFRYXNBCZ-MPOPNXFASA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCCOc4ccc5cccnc5c4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCFHDOWEVLLBS-VZTVURHLSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)Nc4ccncc4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUENUQLHXOINNW-JIYWGDHNSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)Nc4ccc(F)cn4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNISQOLBWTVPOQ-JIYWGDHNSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)Nc4ccc(F)nc4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAARKOQFKFANC-JVIXZCSZSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC(=O)Nc4cc(C)on4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHMLNGNPWKUPU-BZRRHBBESA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCCOc4cc(C)oc(=O)c4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHLZDODZNFRERS-YXZQVLARSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCCOc4cc(=O)oc5ccccc45)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQIBWIFPFJYDN-YXZQVLARSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCCOc4ccc5ccc(=O)oc5c4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVEQGDNDPJGVIX-QSCRMDBISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H]([C@H](/C=C/C=C/C=C/[C@@H]4CC5=CC(=O)CC[C@]5(C)[C@H]5CC[C@]6(C)[C@H](O)CC[C@H]6[C@H]45)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVEQGDNDPJGVIX-ZEXIKNFRSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H]([C@H](/C=C/C=C/C=C/[C@@H]4CC5=CC(=O)CC[C@]5(C)[C@H]5CC[C@]6(C)[C@@H](O)CC[C@H]6[C@H]45)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQQGJRXOPNCMAT-WZLZEIGXSA-N", "SMILES:C[C@]12CCC(=O)C=C1C[C@@H](/C=C/C=C/C=C/[C@@H]1CC3=CC(=O)CC[C@]3(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]13)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJMMUCCAVJSJW-HKNCNPFKSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H]([C@H](C/C=C\\C[C@@H]4CC5=CC(=O)CC[C@]5(C)[C@H]5CC[C@]6(C)[C@@H](O)CC[C@H]6[C@H]45)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJMMUCCAVJSJW-OKDLJLRWSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H]([C@H](C/C=C/C[C@@H]4CC5=CC(=O)CC[C@]5(C)[C@H]5CC[C@]6(C)[C@@H](O)CC[C@H]6[C@H]45)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVLXJFWTFBSGAQ-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc(O)c1C(=O)OCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2cc3c4c(c2O)CCCN4CCC3)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOKVAPHVUGJHHA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(C)c(C(=O)OCCCCCCCCCCCCCC[n+]2ccc(/C=C/c3cc4c5c(c3O)CCCN5CCC4)cc2)c(O)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZQLUZRGFCDLQ-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc(OCCCCCCCCCCCCCC[n+]2ccc(/C=C/c3cc4c5c(c3O)CCCN5CCC4)cc2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPCGYQWZJLZKS-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)cc(OCCCCCCCCCCCCCC[n+]2ccc(/C=C/c3cc4c5c(c3O)CCCN5CCC4)cc2)cc1O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPAKDMWMUKMLI-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(O)cc(O)c1C(=O)OCCCCCCCCCCCCCCBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOADHZHOOJCOEA-UHFFFAOYSA-N", "SMILES:Cc1cc[n+](CCCCCCCCCCCCCCOC(=O)c2c(C)c(Cl)c(O)c(Cl)c2O)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFUOXBKSFZUART-UHFFFAOYSA-N", "SMILES:Cc1cc[n+](CCCCCCCCCCCCCCOC(=O)c2c(O)cc(O)c(Cl)c2C)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGLQNNIHQUOTH-UHFFFAOYSA-N", "SMILES:Cc1cc[n+](CCCCCCCCCCCCCCOc2cc(C)c(C(=O)O)c(O)c2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSOORFUPFALQAL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(C4=CCN(C(=O)OC(C)(C)C)CC4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWZGETWKZPEKZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(C4=CCNCC4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPINGJJQGSAURD-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cccnc4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRSOTZFHFDXFAE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUFOGQBFYSVHA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn(C)nc4C)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOQBXIMJPUNEGC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICZMDARQHMMSA-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cn3c2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHZKUQJYFJTER-UHFFFAOYSA-N", "SMILES:CCCn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cn3c2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSKCFVGCLXOOT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCF)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDVMHXKCVYBFOF-UHFFFAOYSA-N", "SMILES:COCCn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cn3c2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHCCDUJKRLNZID-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZMLBYPVKUQLMC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCOCC5)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFISFIMHOTMNI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCO)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLOQDPUXHYZMP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CC(C)(C)O)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDIBSEFTFWKGPN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCN(C)C)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUNPDQBMURDIT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCN5CCOCC5)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSNJNEZKWWXNLY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCNCC5)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYXIJKRMKMQSO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCN(C)CC5)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDBCBAHBIJEKC-UHFFFAOYSA-N", "SMILES:CCN1CCC(n2cc(-c3cnc4ccc(N(CCNC(C)C)c5cc(OC)cc(OC)c5)cn4c3=O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKLGYFLWZSUAND-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCN(C(C)=O)CC5)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USJNJIHFOSQPFY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCN(S(C)(=O)=O)CC5)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYCHYSEYZGMKA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CNC5)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEBCKYDDXMJGTG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CN(C(C)=O)C5)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIIFQWLREQTQAW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CN(S(C)(=O)=O)C5)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCRWKLYAHPSXTA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOOUZZEELZRDJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHYKMOSINMUHV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC2CC2)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFVNMYFZYQWFU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC2COC2)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULQBNUVXUJCFMM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC2CCC(O)CC2)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXBRUEVGWHKYKR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccccc4)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUQNIAPGIBNTJZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(Cl)cc4)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZHNGGOUJMOCJB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCCCC4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVPNVQBSCWKJG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIEVFEZSDLFCCS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCCO4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMZTXKSRXWVTR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(C4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDNNDJSNBJTEFQ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEZANCUVFZYLF-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPBXBZWZAPICIM-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STZMYLKPKCSIEC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(C(F)(F)F)cc4)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYRCTKCEUUSBDZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4cccc(F)c4)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKVZAVOIHKTALW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4F)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLLLFKVJIGOGF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)c(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGUCSMZMGMTIOE-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFOSKNQHFIIIM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cn(C)c3ncnc(N)c23)ccc1NC(=O)c1cn(CC2CCOCC2)cc(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDRQXKCLKCKEA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)c(Cl)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKZAFJWEZVPGCZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(F)c(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWCJYALAMCYPDD-UHFFFAOYSA-N", "SMILES:Cc1nc(N)c2c(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(F)cc5)c4=O)cc3)cn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABXVJDAAJIHQCN-UHFFFAOYSA-N", "SMILES:Nc1ncnc2[nH]cc(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(F)cc5)c4=O)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHTUGEFRTOJHHF-UHFFFAOYSA-N", "SMILES:CCCn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWSBWFZCNLMQCF-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKBEVSXNZKSNI-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc1)cn2CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIFMGCJQLZYTAA-UHFFFAOYSA-N", "SMILES:Nc1ncnc2[nH]cc(-c3cc(F)c(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(F)cc5)c4=O)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHYCOOHRGHVZOI-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2cc(F)c(-c3c[nH]c4ncnc(N)c34)cc2F)c(=O)c(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERFSIZOJKXVKG-UHFFFAOYSA-N", "SMILES:COCCCn1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBYURHTVOBWFN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cl)c2c1[nH]c1c3ccc(C(F)(F)F)cc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGWLTZOMQZIUBW-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2ccc(Br)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQQGLUBLJAZRDK-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2ccccc2Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPGPGCUYYOGGE-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2cccc(Br)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSAJPPZQCIVPK-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPTUTQCRHZBBC-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2cccc(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMPMCIAXAISHFL-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIZCLHOAYKJFQ-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2ccccc2C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABVEFOBZBIMQV-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAXYHOZZNWVALP-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSWEXUXMSNDEZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Cc1cnc(N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKNZXODPOJPEHV-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cc2cnc(N)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWMUMONNDCDEZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cc2cnc(N)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBQNABRJKMLAU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cc1cnc(N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGQBSRMDCGCJHR-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cc2cnc(N)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNEONQFTFXDSBD-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2cnc(N)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSDKTGNPFABRZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cc1cnc(N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCCSOXYGUGKMD-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cnc(N)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1321037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYFQOUPMXMROC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cnc(N)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXKCGSYWZUULOS-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIVQWOAUYGEXRX-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2cnc(N)s2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAGKWLKIFSEKDP-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2cccnc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGXVWDRMUIBTM-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2ccncc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDQRKABPGFBIFC-UHFFFAOYSA-N", "SMILES:Nc1ncc(C(=O)c2ccc(Br)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKVWNVBNQTFPW-UHFFFAOYSA-N", "SMILES:Nc1ncc(C(=O)c2ccc(C(F)(F)F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLAWCBZHRJCEK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHCCIECQTFCSTF-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ncc(Cc2ccc(Br)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJSXBXUMKHYLDF-FLNCGGNMSA-M", "SMILES:C[n+]1c2ccccc2c(/C=C/c2ccc(C(C)(C)C)cc2)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLLXXRUZXVXCF-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1"]}
{"name": "Envelope phospholipase OPG057", "xref": ["CHEMBL.TARGET:CHEMBL4296170"], "id": "UniProtKB:P04021", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10254"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCVYWULSGLUOBF-UHFFFAOYSA-N", "SMILES:CCC12CC3CC(C1)CC(NC(=O)c1ccc(C(F)(F)F)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNCDHNYZSIVCDP-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSMRSKHGQJAVRT-UHFFFAOYSA-N", "SMILES:O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSOFHJCBUDDETK-UHFFFAOYSA-N", "SMILES:O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLWMFBGCSKYFJ-UHFFFAOYSA-N", "SMILES:O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXLXHURLONKPHV-UHFFFAOYSA-N", "SMILES:O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHXAPFLCZNRMNH-UHFFFAOYSA-N", "SMILES:O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGSBDPXKSJGKSE-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZUDUGQXCHQOAI-UHFFFAOYSA-N", "SMILES:CCC12CC3CC(C1)CC(C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTMWPBGSJXZOIA-UHFFFAOYSA-N", "SMILES:O=C(NNC(=O)c1ccc(C(F)(F)F)cc1)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEARXSRJDLULHH-JWGURIENSA-N", "SMILES:O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPJDJANNFBCGF-UHFFFAOYSA-N", "SMILES:O=C(NNC1C2CC3CC(C2)CC1C3)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIULYFIPBJFTAV-UHFFFAOYSA-N", "SMILES:O=C(NNC1C2CC3CC1CC(Cl)(C3)C2)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOAYPFVMBQQKRS-WYMPLXKRSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBVERYXPHOGOU-UHFFFAOYSA-N", "SMILES:CC(NNC(=O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRAWMUKPGMPSP-UHFFFAOYSA-N", "SMILES:CCC12CC3CC(C1)CC(NNC(=O)c1ccc(C(F)(F)F)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTQZZNWYVVBOU-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C1)CC(NC(=O)c1ccc(C(F)(F)F)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSWHDUXMQIVTA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1OCC1CCCCC1)CN1CCc3cc4c(cc3C1C2)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIZMUSLDIRKIES-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCN(C)CC3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVHLRYBESVBCSO-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2oc3c(c2C)C(=O)C(=O)c2cc(C)c(C)cc2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTTFDYCFRYWUGR-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCN(CCO)CC3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBKIZHGRVVQMCN-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN(C)C)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCAWJZFFUZANMV-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCN(C4CC4)CC3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHXYTAHFRLRSV-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCN4CCCCC4C3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQMDOHMNZAKPW-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCN4CCCC4C3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKVZYOXRJEDRZ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCCCC3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMAMZIQXNLVNKX-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCOCC3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPMYMIKXBRLQC-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCN(S(C)(=O)=O)CC3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVILCQXPGBRXBY-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCC(N4CCCCC4)CC3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAGWYQZARRYNT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCC(N4CCCC4)CC3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIOVVAYEYGBCRL-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCC(N4CCOCC4)CC3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCSPQXTYCKLJBR-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)-c1oc(CN3CCC(N4CCN(C)CC4)CC3)c(C)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUSKSVMPORSBKV-OTFGRFGBSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CN)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CC(O)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUYFDXMSLBQEML-INUGWREMSA-N", "SMILES:C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](O)CC(O)(C(F)(F)F)C(F)(F)F)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUSIFYNKFDOPP-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2-c2ccccc21)C(CCO)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAJPGPJUFIXPGH-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2-c2ccccc21)C(CCO)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVANWUIOWBFDEC-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2-c2ccccc21)C(CCO)C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWEXLOGIZOTABQ-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2-c2ccccc21)C(CCO)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYZJPEWEPWYUCV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CCO)N(C)CCC=C2c3ccccc3-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJPPVHBLDOEOJ-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2C=Cc2ccccc21)C(CCO)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDYRASQFCHOOS-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2C=Cc2ccccc21)C(CCO)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTBQGJWKGCHHGY-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2C=Cc2ccccc21)C(CCO)C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEMFHTLBWUGBRN-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2C=Cc2ccccc21)C(CCO)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLCDWHJIWUMMY-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CCO)N(C)CCC=C2c3ccccc3C=Cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMELLUUCIBAGMW-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C(CCO)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPKUYSMZZAJBQ-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C(CCO)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORAHIDQZAXCVOG-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C(CCO)C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLKJFQEVHDWOZ-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C(CCO)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQSPUAVQCSRZGJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CCO)N(C)CCC=C2c3ccccc3CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTZZKMAQQSFOH-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C(CCN)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPAMFFFLVIJEBI-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C(CCN)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYQZEAPWOENKX-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C(CCN)C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKOUGSYVSHRGU-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C(CCN)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTGIWDWJRRMWFN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CCN)N(C)CCC=C2c3ccccc3CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDLRBQGJMHNAC-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccccc1)N(C)CCC=C1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEGOKNATDVFGNL-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccccc1Cl)N(C)CCC=C1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPZAHLIJIKNRPR-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccc(Cl)cc1)N(C)CCC=C1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGXDFHLXJXYJEI-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccc(F)cc1)N(C)CCC=C1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGMLLFAUADCZIB-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccc(C)cc1)N(C)CCC=C1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYIWIJHEVXYKGQ-LJAQVGFWSA-N", "SMILES:COc1ccc(C(OCCN2CCC[C@H](C(=O)O)C2)(c2ccc(OC)cc2)c2ccc(-c3ccc(C=O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEAQTILSGURKS-MJGOQNOKSA-N", "SMILES:Cc1ccsc1C(=CCCN(C)[C@H]1CCCC[C@H]1C(=O)O)c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOVIWRDBUGATOV-UHFFFAOYSA-N", "SMILES:CN(CCC=C(c1ccccc1)c1ccccc1)C(CCO)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL69064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJUKGVRGZOKFH-MRXNPFEDSA-N", "SMILES:O=C(O)[C@@H]1CCCN(CCC=C2c3ccccc3-c3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL303402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXWDEUWOJGGNHU-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCCN(CCC=C2c3ccccc3CCc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPQGVCAGDYEHT-HNQUOIGGSA-N", "SMILES:O=C(/C=C/CNCCOc1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNZCANFLJIIIBK-ONEGZZNKSA-N", "SMILES:O=C(/C=C/CNCCOc1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXRJPUUAAZXPC-OWOJBTEDSA-N", "SMILES:O=C(/C=C/CNCCOc1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHNWECZRYJSAS-SNAWJCMRSA-N", "SMILES:O=C(/C=C/CNCCOc1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMIKPDAMVSWEKI-ONEGZZNKSA-N", "SMILES:O=C(/C=C/CN1CC(Oc2ccc(Oc3c(-c4ccc(F)cc4)sc4cc(O)ccc34)cc2)C1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCGMSXOXJNIEZ-OWOJBTEDSA-N", "SMILES:O=C(/C=C/CN1CC(Oc2ccc(Oc3c(-c4ccc(F)cc4)sc4cc(O)ccc34)cc2)C1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDQNJUDGADOGBJ-UHFFFAOYSA-N", "SMILES:O=C(CCCNCCOc1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSEJTXYPUWBYGR-SZMVWBNQSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCNCC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLKUKWUHCCFYTF-VCAIXKDPSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCNC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIIPWSSHMVXHK-WDSOQIARSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYTVUKVXIKXZNG-JBACZVJFSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(C)C)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVPUZZSOUVIPN-VJBMBRPKSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C4CCNCC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFMGCNRBRYJVAT-OYDLWJJNSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(CC4CCNCC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNOGFYURWHXLGG-WDSOQIARSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(S(C)(=O)=O)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUTZGPXMWEYRV-BVSLBCMMSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(S(=O)(=O)C4CCOCC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHFCYJVNUVCECF-VJBMBRPKSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)C4CCOCC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGODXHKPBLIJKJ-OYDLWJJNSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)C4CCN(C)CC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPXUPQNHYGEYEU-BIHRQFPBSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)[C@H]4CCCN(C)C4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHGCCVXBHUUSZ-SZBRSHHCSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)[C@@H]4CCCCN4C)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFDADABQIDXBP-VJBMBRPKSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccncc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAAAZTBWVPSSHE-VJBMBRPKSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cccnc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJALOYLOJDZQW-BVSLBCMMSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccccn4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBRDNQZOOILBP-MZBJOSPHSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVIDZAGIDOQWSF-IGKWTDBASA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccnc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSWOWUREQODTRO-LQGLAIQGSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cc(C)nc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNWKMVWDHVXRC-HRNNMHKYSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cc(C)cc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDYGVGVZGXBONW-XZZVZQAVSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(Cc4cc(C)nc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHSEWFNQJXFAO-JBACZVJFSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cnccn4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVXCGYVEUGYYNC-JBACZVJFSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cccnn4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFXRRWQDJNJMKE-NYVOZVTQSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccnnc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFGVLQJEABYNU-JBACZVJFSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ncccn4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHINIAPYUBKDAN-JBACZVJFSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccncn4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPJKVKBAKZIMU-NYVOZVTQSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cncnc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQKBHIPASUSQRC-IHPCNDPISA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cscn4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBIOGGWEVWYBFI-RQNOJGIXSA-N", "SMILES:CCCCNc1ncc2c(C3CCN(C(=O)c4cc(C)nc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQLJPMEVONOSW-GGHZGINBSA-N", "SMILES:CC[C@H]1C[C@@H]1Nc1ncc2c(C3CCN(C(=O)c4cc(C)nc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQLJPMEVONOSW-ZCIWVVNKSA-N", "SMILES:CC[C@@H]1C[C@H]1Nc1ncc2c(C3CCN(C(=O)c4cc(C)nc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVGJNPJMZYLNBE-RNCAPKPVSA-N", "SMILES:Cc1cc(C(=O)N2CCC(c3cn([C@H]4CC[C@H](O)CC4)c4nc(N[C@@H](C)c5ccccc5)ncc34)CC2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIXYJFUGGXKHPG-MCZWQBSQSA-N", "SMILES:Cc1cc(C(=O)N2CCC(c3cn([C@H]4CC[C@H](O)CC4)c4nc(NCc5ccccc5)ncc34)CC2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLEGYBAUGFHNOW-MCZWQBSQSA-N", "SMILES:Cc1cc(C(=O)N2CCC(c3cn([C@H]4CC[C@H](O)CC4)c4nc(NCC5CCCCC5)ncc34)CC2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZFCMBOTHVCNP-MMXANPLTSA-N", "SMILES:Cc1cc(C(=O)N2CCC(c3cn([C@H]4CC[C@H](O)CC4)c4nc(N[C@@H]5CCc6ccccc65)ncc34)CC2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZFCMBOTHVCNP-HEWUYBSCSA-N", "SMILES:Cc1cc(C(=O)N2CCC(c3cn([C@H]4CC[C@H](O)CC4)c4nc(N[C@H]5CCc6ccccc65)ncc34)CC2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUGTGGDEAGXJP-HRNNMHKYSA-N", "SMILES:CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDWNQQUGLSPJTF-DJZRFWRSSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)[C@@H](N)CO)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJWBOGPXYSZCGK-DCCUJTHKSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)[C@@H](N)COCc5ccccc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYXDVPDQZLIJLI-AIBWNMTMSA-N", "SMILES:CC(C)[C@H](N)C(=O)Oc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWDKOMGRRNXDC-YDNXMHBPSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)[C@@H]5CCCN5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMAGSWXYWFXCP-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)CCC(=O)OCCN5CCOCC5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPTFVZDXWQOTAM-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)CCC(=O)OCCN5CCCCC5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYSMNZWLVJYABK-SFHVURJKSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTJONMUWIMFPS-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OS(N)(=O)=O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJMTVHOAEPYNJH-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OP(=O)(O)O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWPFQINKBOJSC-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(N)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVGCBORQCDKFQN-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NC(=O)C5CCCN5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAXIRQRUICHRIX-UHFFFAOYSA-N", "SMILES:CC(O)C(N)C(=O)Nc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPRQWJTGQOULL-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NC(=O)C(N)Cc5c[nH]c6ccccc56)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWJQUCLJZAYMN-UHFFFAOYSA-N", "SMILES:CNCC(=O)Nc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUEYTLURVYHLNM-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NC(=O)CCC(=O)O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMPRAKDRJXFTQH-UHFFFAOYSA-N", "SMILES:CC(C)CC(N)C(=O)Nc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFBMHTBICXXXDK-UHFFFAOYSA-N", "SMILES:CSCCC(N)C(=O)Nc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSBVZDYHQWQJKJ-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NS(N)(=O)=O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVGHZYLRCGTSU-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NC(O)CN)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJVRRFAHXHDQH-UHFFFAOYSA-N", "SMILES:CC(N)C(=O)Nc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZRIIYQJOMGLEM-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NC(=O)C(N)CCC(N)=O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJNCVCHUNJBAM-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NC(=O)C(N)CO)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWHYNROQIJDVMK-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NC(=O)C5CCC(=O)N5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIZABLZBXLBGG-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NS(C)(=O)=O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMAPFBCGCTSQU-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NC(=O)C(N)Cc5ccccc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFFFVLWIZTXKD-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(NC(=O)C(N)Cc5ccc(O)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVNWYTUTMCVEH-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cn(-c3ccc(C)cc3)cc2-c2ccsc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWXSSLIMXVSEKN-YNEHKIRRSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NN)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPOHMWXIJQLRS-BFHYXJOUSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNC)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGBYRWPIXMUHK-RRFJBIMHSA-N", "SMILES:CCNNC(=O)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDCXEZBHTKSNCZ-ARFHVFGLSA-N", "SMILES:CCCNNC(=O)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECDRMOQNBKGFQ-GVDBMIGSSA-N", "SMILES:CCCCNNC(=O)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCMANAXHMPZQBG-GVDBMIGSSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCC(C)C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJPJDHBHVQQPU-RCCFBDPRSA-N", "SMILES:CCCCCNNC(=O)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFNPFRWRJLNSY-RCCFBDPRSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCCC(C)C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOEYQILHDYJMSN-IPMKNSEASA-N", "SMILES:CCCCCCNNC(=O)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKVDBGSCCGRPQA-XUVXKRRUSA-N", "SMILES:CCCCCCCNNC(=O)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSSRIBRBVTRLS-XUVXKRRUSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCc2ccccc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWHBJZAVBVBZJE-PWRODBHTSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCCc2ccccc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPALQIXSMDSPM-BHDDXSALSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCCCc2ccccc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSKEIYJGQPAKR-MRUDLTSASA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNC/C=C/c2ccccc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHLKYLLUDLJPM-XUVXKRRUSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCc2ccccc2Cl)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRQALGMWGPBNZ-XUVXKRRUSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCc2cccc(Cl)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKUUSIFKXLOQQ-XUVXKRRUSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCc2ccc(Cl)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYAJVLXGXIDPGB-CEWLAPEOSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCc2ccccc2OC)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LACVXTYERDUAOX-PWRODBHTSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCc2cccc(OC)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNGFAIPNRHNWKQ-PWRODBHTSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCc2ccc(OC)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSIDIAWHCOGTAM-GVDBMIGSSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNCC2CC2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVUIPVNOCMTHV-RCCFBDPRSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNC2CCOCC2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGWUYSJCNMYGGP-YNEHKIRRSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(N)=O)[C@H]1NC(C)=O"]}
{"name": "Neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL3559643"], "id": "UniProtKB:P03469", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:381516"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKOLCXRQOKDBR-VIFPVBQESA-N", "SMILES:N[C@H]1CCN(C(=O)c2cc3c(O)c4c(c(O)c3o2)C(=O)c2ccccc2C4=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFINWNNMGCBCLX-BGCNNDQISA-N", "SMILES:C[C@H](NC(=O)N1CCC(NC(=O)c2nccs2)CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFINWNNMGCBCLX-YIUPACBUSA-N", "SMILES:C[C@@H](NC(=O)N1CCC(NC(=O)c2nccs2)CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMAUQRZMJYEOQL-BGCNNDQISA-N", "SMILES:C[C@H](NC(=O)N1CCC(NC(=O)c2nccs2)CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMAUQRZMJYEOQL-YIUPACBUSA-N", "SMILES:C[C@@H](NC(=O)N1CCC(NC(=O)c2nccs2)CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMSHCIWECUGEJ-ZLBMGHATSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)N2CCC(NC(=O)c3nccs3)CC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMSHCIWECUGEJ-KTZPRXJKSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCC(NC(=O)c3nccs3)CC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUNIZFZGKPNEMD-NHPFZIKMSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)N2CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUNIZFZGKPNEMD-OCOQMYJFSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNGCTGGIDKJPG-TZMVIOPTSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)N2CCc3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNGCTGGIDKJPG-BPLFTIAKSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCc3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMAIIYBLXTPGE-RIIJTAHDSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)n2c3ccccc3c3ccccc32)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMAIIYBLXTPGE-FYARLHMPSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)n2c3ccccc3c3ccccc32)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOSHOXWJZWZLO-LJROXPGUSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)N2CCC(OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOSHOXWJZWZLO-ARDQTEPTSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCC(OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEJDODIYNAEWHY-OYJHBXMHSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)N2CCC(OC)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEJDODIYNAEWHY-LCFAYYECSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCC(OC)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOSHOXWJZWZLO-LJULZQMYSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CC[C@@H](OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOSHOXWJZWZLO-KVUQKWMSSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CC[C@H](OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YILOYOGEUIDELY-WBKCPQTRSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCC[C@@H](OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YILOYOGEUIDELY-IWJIAYOXSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCC[C@H](OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNHWUIBLFWYAIK-YOHUWESFSA-N", "SMILES:CC1=C(C(=O)N[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)c2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJDNXAGYSATCV-IUBLYSDUSA-N", "SMILES:COc1c(O)c(O)c(C(=O)O)c(C)c1C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGMYKTHBAQWEFG-IZLFASKTSA-N", "SMILES:COC(=O)c1c(C)cc(O)c(C/C=C(\\C)CCCC2=C/C(=C\\C(C)(C)O)OC2=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPRFCPQXQJWDW-IWHVMJOVSA-N", "SMILES:C/C(=C\\Cc1c(O)cc(C)c(C(=O)O)c1O)CCCC1=C/C(=C\\C(C)(C)O)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWSUETWLMHLISD-LHDPSMIPSA-N", "SMILES:C/C(=C\\Cc1c(O)cc(C)c(C(=O)O)c1O)CC/C=C(\\C)CC[C@H](O)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL487804", "category": ["biolink:ChemicalEntity"], "name": "GRIFOLIN", "xref": ["InChIKey:PZHNKNRPGLTZPO-VZRGJMDUSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4877566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMDWDFBTNAGBIV-NXGXIAAHSA-N", "SMILES:COC(=O)c1c(C)c(C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)c(OC)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLEUABRXWVMKHP-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)Cn3cc(CN4CCc5cc(OC)c(OC)cc5C4CCCN4C(=O)c5ccccc5C4=O)nn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVOZASPPODCCEN-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(CCNC(=O)Cn3cc(CCCCN4CCc5cc(OC)c(OC)cc5C4CCCN4C(=O)c5ccccc5C4=O)nn3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPUGJNGKBHPNKQ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(CCNC(=O)CCCn3cc(CCCCN4CCc5cc(OC)c(OC)cc5C4CCCN4C(=O)c5ccccc5C4=O)nn3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQQDGVPEJIAKF-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)Cn3cc(CCCCN(C)CCCC4c5cc(OC)c(OC)cc5CCN4C)nn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BONSTVLWAPBWEJ-LZZMJICFSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)Cn3cc(CN4CC[C@@]56C=C[C@H](O)C[C@@H]5Oc5c(OC)ccc(c56)C4)nn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNRWPLXCBXYEM-HFYPTWNKSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CCCCn3cc(CN4CC[C@@]56C=C[C@H](O)C[C@@H]5Oc5c(OC)ccc(c56)C4)nn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLSRNLVTJIASQO-MQHRBSSMSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCc1cn(CC(=O)NCCc3c[nH]c4ccccc34)nn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCGOVZKWSYWPMO-DUDRRYTISA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCc1cn(CCCC(=O)NCCc3c[nH]c4ccccc34)nn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWQKCHWOQFCQT-FIKWBYJGSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCc1cn(CCCCC(=O)NCCc3c[nH]c4ccccc34)nn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUJZJMXOJAJFRY-HFYPTWNKSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)Cn3cc(CCCCN4CC[C@@]56C=C[C@H](O)C[C@@H]5Oc5c(OC)ccc(c56)C4)nn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGRSPYUJIFMHC-AEOVLEPASA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CCCCn3cc(CCCCN4CC[C@@]56C=C[C@H](O)C[C@@H]5Oc5c(OC)ccc(c56)C4)nn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRNDHAQPFNSDEN-CEUPWISKSA-N", "SMILES:C=C1C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H]([C@H](OC(=O)[C@@H](NC(C)=O)[C@@H](O)C(C)C)C(C)C)C(=O)N(C)/C(=C\\C)C(=O)O[C@H](C(C)C)[C@H](NC(C)=O)C(=O)O[C@H](Cc2ccccc2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENZSPIOXMNEFF-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4861088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSYSITMZLIOBDB-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3scc(-c4ccccn4)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDNSESRAGYRDGT-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3scc(-c4cccnc4)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDAUYHFPEBYTAD-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3scc(-c4cccc(C(=O)O)c4)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUMMLZHGTTYAJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1-c1csc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPBEUWVPOJNPP-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3scc(-c4ccccc4S(C)(=O)=O)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPYUWCUAZIKDS-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3scc(-c4cccc(S(C)(=O)=O)c4)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDOCHTRQHTZHQE-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3scc(-c4ccccc4N(C)S(C)(=O)=O)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGITTWACNVAMO-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3scc(-c4cccc(N(C)S(C)(=O)=O)c4)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFYDAUGEMZFAA-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3scc(-c4ccccc4NS(C)(=O)=O)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMMIQQDVUHPDO-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GICPBWMPLQNXPM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4ccccc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCZCTHNXMTPAU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHDKMGTSFPWRK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCCCC5)cc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYHLZBUMTADYQI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKRFMQUFDKUBA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQMVBXQAIMTOTQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(NS(C)(=O)=O)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALPFCWGUOITKJF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCC(O)CC5)cc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGTNGYMTIYRANQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cccc(Nc3ncc4scc(-c5cccc(NS(C)(=O)=O)c5)c4n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKSUPIFBGFCPFS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2csc3cnc(N)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXFWFYRGRIJIIL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2csc3cnc(NC4CC4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNKQFALRHYMDLC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2csc3cnc(NC4CCCCC4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQQZKIIUTKZVRJ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5ccccc5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAYVTQMDMNPVDZ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5ccccn5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTPWAFBSYSOSLO-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccnc5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXMIYUVIHGYZEH-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5ccccc5[N+](=O)[O-])c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCFJKVIIWPIPB-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc([N+](=O)[O-])c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAECDISWOBBHQP-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5ccccc5S(C)(=O)=O)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZGCVRQULSVDTG-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(S(C)(=O)=O)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMTRCYWRGWQAQK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1-c1csc2cnc(Nc3ccc(N4CCN(CC)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBIRFEGOAXQZOY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2csc3cnc(Nc4ccc(N5CCN(CC)CC5)cc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLGZQWHAKCFCW-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(C(=O)O)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMTYHLZXQHFGL-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(C(=O)NC)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMRBBNOUREBEL-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(OC)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTSGZHVTREICV-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(S(=O)(=O)NC)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEXHGQMRKQDDEO-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(N(C)S(C)(=O)=O)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCSYNVJDJYJNG-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(N6CCCS6(=O)=O)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MECCZDJAXPDMTC-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5ccc6ccccc6c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPLPWQYHADAKPV-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5cnc6ccccc6c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STFJXIHVZCMTHO-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc4scc(-c5ccc6cc[nH]c6c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIKDTLKOYCMNRS-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(N5CCOCC5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOODKKSFCLYEIE-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(C#N)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWNXYOAQNDBFF-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(OC)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZLRTWYKMXCADH-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3ccc(-c4ccccc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMJCYCTUVZKKAP-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ccn3ncc(-c4ccc(N5CCOCC5)cc4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNSBZJUSVZEOE-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFMPOBVAYMTUOX-GOSISDBHSA-N", "SMILES:CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)COC)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMZAOKYOMHNQMK-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(N5CCN(C)CC5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFRJRKHVXJBTK-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPOLYDDOWQHQQD-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4cccc5ccccc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVWONCJVXRZIPH-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4cccc5ncccc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBYYXPLTOVVFB-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(OC)nc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJPQSSLNNQNBX-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4cc(Br)cnc4F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBJDGWPOYZTGT-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4cn(C)nc4C(F)(F)F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDTCYLQUDFNGRT-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4cnn(Cc5ccccc5)c4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZGUCCBGCNURQ-CQSZACIVSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2nc(OC[C@H]3CCCN3C)nc3sccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZGGISHWXXEEOB-SFHVURJKSA-N", "SMILES:C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(N5CCN(C)CC5)cc4)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGFOHVQCUATJE-RGVLZGJSSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(S(=O)(=O)/C=C/c6ccccc6)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQDCJAUYPYAMH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(N5CCN(C)CC5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNXVHPFUXTBQQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(S(=O)(=O)N6CCCCC6)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRJYKWDPINJMD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(S(=O)(=O)C6CC6)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZUNWICXXYDGBK-UHFFFAOYSA-N", "SMILES:CCCNC(=O)N1CCN(c2ncnc3sc(-c4ccc(N5CCN(C)CC5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEWOQNVYNFMPJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)Nc6ccccc6)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFVSMZCBYFRWAV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2CCN(c3ncnc4sc(-c5ccc(N6CCN(C)CC6)cc5)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSWLWPYJMDSNBG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)Nc6ccc(C#N)cc6)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPNQIDCNKFXYDC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)Nc6ccc(Cl)cc6)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUHVNXINFPCGT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)Nc6ccc(OC(F)(F)F)cc6)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQFSAWJAUSJLB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)Nc6ccccc6F)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPHNJEVPNQCQJY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)Nc6cccc(F)c6)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIRRBMPXJFFIFQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)N1CCN(c2ncnc3sc(-c4ccc(N5CCN(C)CC5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POAUWYKECHLBON-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)Nc6ccc(F)cc6F)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYZUOYYVHYGMDE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)Nc6ccc(Cl)c(C(F)(F)F)c6)CC5)ncnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVOMUIVDDXSSPB-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2ncnc3sc(-c4ccc(N5CCN(C)CC5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPYICJSANLQZBE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)Nc6cc(C(F)(F)F)ccc6F)CC5)ncnc4s3)cc2)CC1"]}
{"name": "Vascular endothelial growth factor receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4758"], "id": "UniProtKB:P35917", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGIMQHAJVSTZIH-PCFCJAIRSA-N", "SMILES:COCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKIVDCRBHMZPD-DOUCWQNDSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)CO)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZYUCUKBXALRW-IPWKFYNUSA-N", "SMILES:CCOC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBYBEFQMVECKC-IPWKFYNUSA-N", "SMILES:CCNC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFBXFHMDFLCXSX-RASZWPTLSA-N", "SMILES:CCCS(=O)(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQGTMZASRLXOJ-SLDSERKVSA-N", "SMILES:CNS(=O)(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWELBLTYXNAQAN-KYNMECNVSA-N", "SMILES:CCNS(=O)(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYNLUNXPGMKLBO-RPYZINRPSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(N)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQGTLDZMLXNSI-YZPNIYKUSA-N", "SMILES:CNC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUKFNOIHVUZRB-JADPXGFTSA-N", "SMILES:CCCNC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBPUVNFMKLAFRZ-JADPXGFTSA-N", "SMILES:CC(C)NC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UROMBZCTDPBWBN-JADPXGFTSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRHBQPIPLSWDF-AXGSMEJASA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASFGHWJLAUAAQL-RHHJRUGJSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CCCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLYYKRSXYCSKN-AXGSMEJASA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)N6CCOCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLROSZOHYMXMGL-SROISLRKSA-N", "SMILES:COc1ccc(NC(=O)O[C@@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@H](C(C)C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQIYNJDSQRULW-MNSTZRQHSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)Nc6ccc(F)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUFBPVFGQYTSW-YNCZQAANSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)Nc6cc[nH]n6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZJXULKWPBDHL-JADPXGFTSA-N", "SMILES:CCN(C)C(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDZLCYUANPOIM-JAZUPRQQSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVKPQMSSWWPSA-JAZUPRQQSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)OCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBXESINEDCVJZ-RASZWPTLSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(N)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGUNIXWMPRGBRI-JAZUPRQQSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(NC(=O)OCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAJSWGIEWHNDSO-JAZUPRQQSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(NC(=O)NCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYBVEIQLOSTIF-VUCIFUNASA-N", "SMILES:CC1(C)[C@H](OC(=O)NC2CC2)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H]([C@@]6(C)CO6)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJLNJCPPWSIDLN-IPWKFYNUSA-N", "SMILES:CC(=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSQBRZWARZNQH-ZYKMVCIOSA-N", "SMILES:C[C@@H](O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSQBRZWARZNQH-WICAZKSQSA-N", "SMILES:C[C@H](O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMCLSULGNEWRY-NGYANIIHSA-N", "SMILES:CO/N=C(/C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGLEGDIDGHDEN-SRPYGMRZSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(=O)O)[C@H]3[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBMLOJIJSPVJKS-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUSHPRSBIDTALC-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQYINMZHVRUGDM-BZRPJOEJSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDYRHBZZWQWHLE-UCNCCCIZSA-M", "SMILES:C[C@H](O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJBPPMVTBDRYFK-UHFFFAOYSA-N", "SMILES:CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL115771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKPSJDJJPBXDJU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccc(CN2C(=O)C3(CCCC3)N=C2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRBWXHTGUQKIS-UHFFFAOYSA-N", "SMILES:CCCCC1=NC2(CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNCOBOLYLDBMQ-UHFFFAOYSA-N", "SMILES:CCCCC1=NC(C)(C(C)C)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFIJSWWTWPMAC-UHFFFAOYSA-N", "SMILES:CCCCC1=NC(C)(c2ccccc2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILERVMNMFVURPH-UHFFFAOYSA-N", "SMILES:CCCCC1NC(=O)C2(CCCC2)N1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJHROCBQKSZQF-UHFFFAOYSA-N", "SMILES:CCCCC1NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTQSQYVSPRWGGI-UHFFFAOYSA-N", "SMILES:CCCCC1=NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJAOOPENTZJHO-FGZHOGPDSA-N", "SMILES:CCCC[C@H]1N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)[C@H]2CCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJAOOPENTZJHO-VXKWHMMOSA-N", "SMILES:CCCC[C@@H]1N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)[C@@H]2CCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWZXKSZLRVSEH-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(N(Cc2cccs2)C2CC2)n1"]}
{"name": "Adenylate cyclase type 10", "xref": ["CHEMBL.TARGET:CHEMBL5854"], "id": "UniProtKB:Q96PN6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPCGXMWBHSCODI-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2cccs2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVFOMYRKSZVYGO-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2cccc(F)c2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYASPEIEAVQOGL-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccc(F)cc2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSTRYHLUEUMCOI-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URARPYRWSZLAND-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccccc2F)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTXWEQRSCKBWII-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJGCISWXLFZTAG-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2cncs2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJMCWHQDZMPPU-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2cccs2)c(-c2cc(Cl)nc(N)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMTYSWGHKYXOF-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFVJNXLPCXULQQ-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2cccc(Cl)c2)c(-c2cc(Cl)nc(N)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTVXJUFVCXZKG-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2cccc(F)c2)c(-c2cc(Cl)nc(N)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFOZSZKFURFRGS-UHFFFAOYSA-N", "SMILES:Cc1c(Cn2cccn2)c(-c2cc(Cl)nc(N)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALXXNKKJKLKPT-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWBBTCOCQDXGK-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2cc(Cl)nc(N)n2)c(Cc2ccccc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIQFTXNHVGRAOG-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2cc(Cl)nc(N)n2)c(Cc2ccccc2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KASPLAXMVHIUSG-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNCCCNc2nc3ccccc3n2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUCRYJGOUKKKQG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSPEUGZVCRJPK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C#N)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEONIXXGISKPKW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Cn2c(NC3CCN(CCc4ccc(C#N)cc4)CC3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQGZPGNTYBYOE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C(=O)O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKQRZPFTQAZOG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C(F)(F)F)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYWRRQLWIYKDB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C#N)c(F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTUZYQBQVHRFR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWZBMZTCGYLLF-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC(CCNc3cc4c(nn3)-c3ccccc3CCCC4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGZMGSNKRRWPDT-XVAYZXCPSA-N", "SMILES:Cn1cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSKPCHXUYILTR-VQFNDLOPSA-N", "SMILES:Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKPKSGPVFYQNR-DZFIZOCASA-N", "SMILES:Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNJNVHASYGIIGW-AERCQKQUSA-N", "SMILES:c1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZSADVGJILSNGR-SGRGSNTQSA-N", "SMILES:CC(=O)Nc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKHGQLCCNBYMJX-BWTSREIZSA-N", "SMILES:Fc1ccccc1-c1ccc(N[C@H]2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGKVEYSPTSSRAG-KXTWHKPSSA-N", "SMILES:Fc1cccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCCQZMFYZKXCQ-KXTWHKPSSA-N", "SMILES:Fc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRBSTYTUVKGMJH-DZFIZOCASA-N", "SMILES:Fc1ccc(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKPKSGPVFYQNR-PPXJSGPKSA-N", "SMILES:[2H]C([2H])(C1CCOCC1)N1C[C@H]2C[C@H](Nc3ccc(-c4cc(F)ccc4Cl)nn3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSKPCHXUYILTR-VRBVDISKSA-N", "SMILES:[2H]C([2H])(C1CCOCC1)N1C[C@H]2C[C@H](Nc3ccc(-c4cc(F)cc(F)c4F)nn3)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOQMIVUGDYGFDO-PMOLBWCYSA-N", "SMILES:c1cncc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKILARELKPWKO-XVAYZXCPSA-N", "SMILES:CN1Cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALVMITILHVYXEU-UHFFFAOYSA-N", "SMILES:OCc1cccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLUUKHAHFFWDFW-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNCIFYXNUAFIH-UHFFFAOYSA-N", "SMILES:FC(F)c1cccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHZTCYQJGDRNF-UHFFFAOYSA-N", "SMILES:FC(F)c1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXGCBYCYMHFPR-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDVUOBGQYBTCL-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKNNPZZFEHDVHC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOKEWFHMVWEMQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(F)c(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISUIFVVYIBVIA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOXBKQLMGFCRFW-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVHNMPETPMFRJ-UHFFFAOYSA-N", "SMILES:FC(F)c1cncc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSFHTXNKQSESE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cncc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLHOQCTPRLPPO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cncc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WROQPSKLDRGJBM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cncc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKDSRDEIVDHBR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cnc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGWKNFSOFRTXCS-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cncc(C(F)F)c3)cc2n2c(C3CCOCC3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MARCOVIACRTERD-UHFFFAOYSA-N", "SMILES:Fc1c(-c2cncc(C(F)F)c2)ccc2ncc3nnc(C4CCOCC4)n3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AULMMGPUTSYLNS-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cncc(C(F)F)c2)cc2c1ncc1nnc(C3CCOCC3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXIMOOZRCPTJDQ-UHFFFAOYSA-N", "SMILES:FC(F)c1cncc(-c2ccc3ncc4[nH]nc(C5CCOCC5)c4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSOQBYOYIBXQGO-UHFFFAOYSA-N", "SMILES:Cn1nc(C2CCOCC2)c2c3cc(-c4cncc(C(F)F)c4)ccc3ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIOGRVXKGDUFP-UHFFFAOYSA-N", "SMILES:Cn1nc2cnc3ccc(-c4cncc(C(F)F)c4)cc3c2c1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCGVOYZRSDCPC-UHFFFAOYSA-N", "SMILES:Cc1nc(C2CCOCC2)n2c1cnc1ccc(-c3cncc(C(F)F)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGKSARXIQYKAW-UOIKSKOESA-N", "SMILES:FC(F)c1cncc(-c2ccc3ncc4nnc([C@H]5[C@@H]6COC[C@@H]65)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYIKIPUNRLIEZ-UHFFFAOYSA-N", "SMILES:FC(F)c1cncc(-c2ccc3ncc4nnc(C5=CCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATKHYZXUMVNCIO-UHFFFAOYSA-N", "SMILES:FC(F)c1cncc(-c2ccc3ncc4nnc(C5=CCCOCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQXVMMLHAWPDPI-QWHZDKJVSA-N", "SMILES:FC(F)c1cncc(-c2ccc3ncc4nnc([C@H]5[C@@H]6CCC[C@@H]65)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQCFRUUPBAMHIY-UHFFFAOYSA-N", "SMILES:FC(F)c1cncc(-c2ccc3ncc4nnc(C5=CCCCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHBEJBYMQHZEM-UHFFFAOYSA-N", "SMILES:FC(F)c1cncc(-c2ccc3ncc4nnc(C5=CCCCCC5)n4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOWZUHXAXNZNE-XFHMXUHZSA-N", "SMILES:CO[C@H]1CC[C@@H](c2nnc3cnc4ccc(-c5cncc(C(F)F)c5)cc4n32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOWZUHXAXNZNE-WJYNOGRTSA-N", "SMILES:CO[C@H]1CC[C@H](c2nnc3cnc4ccc(-c5cncc(C(F)F)c5)cc4n32)CC1"]}
{"name": "Alpha-1-antitrypsin-related protein", "xref": ["CHEMBL.TARGET:CHEMBL4879431"], "id": "UniProtKB:P20848", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMKRZXOTGFXMPH-UHFFFAOYSA-N", "SMILES:CSc1ccc(NC2=C(c3ccccc3Cl)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL157089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPHPRPMCOPJNX-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc(O)c(Cl)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIYFKUCCHWYDX-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(O)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJPHIOAHHIJPG-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL346829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKLOROWNYFUEKV-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=C(Nc3cccc(Cl)c3)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWKVIXXNQQUNBC-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=C(Nc3ccc(SC)cc3)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBKUWJEWLWOTH-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=C(Nc3cccc(O)c3)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCZJWFJXVYDVJB-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMFAJFUAUDBKN-UHFFFAOYSA-N", "SMILES:CSc1ccccc1NC1=C(c2ccccc2C(F)(F)F)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPMGOKMDUADMG-UHFFFAOYSA-N", "SMILES:CSc1ccccc1NC1=C(c2ccccc2Cl)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLVNGQIHHATTKB-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccccc2SC)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZKDNUBCZPPEKK-UHFFFAOYSA-N", "SMILES:CSc1cccc(NC2=C(c3ccccc3C(F)(F)F)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUETXHWBTMVYGV-UHFFFAOYSA-N", "SMILES:CSc1cccc(NC2=C(c3ccccc3Cl)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVTLNYITMMFMKI-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(SC)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTAPVEISXLGXRH-UHFFFAOYSA-N", "SMILES:CSc1ccc(NC2=C(c3ccccc3C(F)(F)F)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL349540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDSINMBICXAPEL-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc(SC)cc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPZCUKPJMQVDP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(NC2=C(c3ccccc3Cl)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJAKOPDRBCRJD-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(S(C)(=O)=O)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZGICWQUNHKAE-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSOMSYHDLLNJGQ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMZEAZJVSSENT-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYXRJHQCPFMVDM-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWMNFLBWYIYERG-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc(O)cc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVWQTQPIIBUIS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUENVVYTSBJEAP-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBAMRRPLGIROG-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(F)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSUQCFHWDCIREZ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTMLNIGDDOHCR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(C(F)(F)F)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYHULDNNYJBWIW-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYDZCRLDYVZKY-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFPDXBYXPQKOT-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1ccc(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL157141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXWKAUMIVTQTA-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1ccc(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPPQSZANMVLVPR-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL345800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBQDPOCAWUSJF-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTELSGAPLHOGDX-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC2=C(c3ccccc3C(F)(F)F)C(=O)NC2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZWCQKDKJSXPKL-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC2=C(c3ccccc3Cl)C(=O)NC2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HETLSDUMBUSZOA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC2=C(c3ccccc3OC)C(=O)NC2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTOCDZVTNXQRR-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRZIGHVWJFDSFR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWIRUUNWBMPHH-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC2=C(c3ccccc3Oc3ccccc3)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTGOOBCOGFPULI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC2=C(c3ccc(Oc4ccccc4)cc3)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRVTRYCSICYGC-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELPYNPZDXDNQD-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC1=C(c2ccccc2OC)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKFIZGEINSBRY-UHFFFAOYSA-N", "SMILES:COc1cccc(NC2=C(c3ccccc3OC)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESNKWPMIMICNM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC2=C(c3ccccc3OC)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVXJTJARHISNHM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC2=C(c3ccccc3OC)C(=O)NC2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNHQSWIDSXSZBR-UHFFFAOYSA-N", "SMILES:COc1ccc(NC2=C(c3ccccc3OC)C(=O)NC2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIWVMYKBIUNRG-UHFFFAOYSA-N", "SMILES:COc1cc(NC2=C(c3ccccc3OC)C(=O)NC2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTWEHCUKIGMHI-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc3c(c2)OCO3)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLIGBNHAJFKGMA-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc(N3CCOCC3)cc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLQKPBFQDXTFP-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc3ccccc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWWUVEVSUSYGLO-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc(-c3ccccc3)cc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKODQPUAYQCESR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2nc3ccccc3s2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXBAABOAUNPLDL-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc(C(=O)c3ccccc3)cc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZRKLOQHZJQWRB-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc(Nc3ccccc3)cc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYIOQLUBKIUIT-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(-c3ccsc3)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPQGXEBMACYTIN-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc(-c3ccsc3)cc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAOXVNVCRNYZEO-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(C(C)(C)C)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVDCDXBKJXMPBK-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(OCc3ccccc3)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFZPGOREAWYIK-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc(OCc3ccccc3)c(Cl)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYXCQTJVPMWKNZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2ccc3ncccc3c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHQVFGHSCTUGB-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc3cccnc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMCBXWNZANUTKO-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(Nc2cccc(-c3ccc(F)cc3)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTLBTHDPDGFSL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccccc2)ccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXMNMFIMTCHYIP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2)cc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFRPIRHGLMFBE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(OCc3ccccc3)c(F)c2)ccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCACBAPOIYADMO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(OCc3ccccc3)c(F)c2)cc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMUKOLPQIDERJO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc3c2OCCO3)ccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOAFRVGQQUAHR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc3c2OCCO3)cc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GICYQXUEIAGIQU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(OC)c(OC)c(OC)c2)ccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBXBDJPITMYDPS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OC)c(OC)c(OC)c2)cc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNLBGGBQKQXBJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccsc2)ccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLSPARROXIDTI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccsc2)cc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCXQWPHSLRSBI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccnc2)ccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWIDXQQAIMZRZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccnc2)cc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCKDPBYXAHUHZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(Cl)nc2Cl)ccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYFXQSDTZSWLB-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)C(C)C)ccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MORBCDXMQHJDBS-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C(C)C)cc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZXUVGUIAUXBT-UHFFFAOYSA-N", "SMILES:COc1cc(Br)ccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQXOWLFWLVNJN-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTOSFHBBXPAMV-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N(C)CCCOc1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSHOCULYCUXAT-UHFFFAOYSA-N", "SMILES:CCc1n[nH]c(CC)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYXFVJBJIPXLB-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(C(F)(F)F)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWFMJDRIPGNPIB-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(C(C)(C)C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMFQCHYNHNNOKH-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(C(C)C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAWKCXGHTPSBEL-UHFFFAOYSA-N", "SMILES:CCCCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMYDUBUZCTXJZ-UHFFFAOYSA-N", "SMILES:CCCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQHUQMDIDORKG-UHFFFAOYSA-N", "SMILES:CCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQZCQVBPNIQDTI-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3448252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZBBKHCVWLMNTN-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDGQXFQZDGTJNU-WDNDVIMCSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1cnccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQNYVSVMHJZAQ-FICVDOATSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CCC[C@H]1C[C@@H](Oc1cnccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQKFUWLOCPJTHO-BTTYYORXSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2COC[C@H]1C[C@@H](Oc1cnccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTWZYEUBJZEAAC-NHAGDIPZSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2Oc1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUOONZCVCZGSGL-MIFYACCESA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFESHMIQGBUFKD-FICVDOATSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRZXJUOXGRJUHJ-QLPKVWCKSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRZXJUOXGRJUHJ-SCAQPMJSSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYAFLLYBEKVBOD-VQFNDLOPSA-N", "SMILES:Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYAFLLYBEKVBOD-ALXJQNPVSA-N", "SMILES:Cc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRIUHANKUZOZAD-UHFFFAOYSA-N", "SMILES:Cc1cccc(OC2CC3CCC(C2)N3S(=O)(=O)c2c(C)n[nH]c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUUKPNMDVBFXTK-FVQHAEBGSA-N", "SMILES:Cc1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(C)n[nH]c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTHCMRBBMNEKEX-DZFIZOCASA-N", "SMILES:CCc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCUCHKLPCHVTRM-RUYXUALKSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C(C)C)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFNOXWKDOQOBKO-KXTWHKPSSA-N", "SMILES:CCCCc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFNOXWKDOQOBKO-CEQLMSFQSA-N", "SMILES:CCCCc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDPAIMQLDJXGIZ-SGRGSNTQSA-N", "SMILES:CCCCCCc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYIESLVCREUKX-XVAYZXCPSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(CCC(C)C)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMNWGVLXVTWPG-QLPKVWCKSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C(F)(F)F)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRCFENOUYKXRHH-HWWDLCQESA-N", "SMILES:COc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFRYHIBMXQGTR-VQFNDLOPSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUDIGSRMLAEEY-QLPKVWCKSA-N", "SMILES:Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(F)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWHGMRXBYSWER-YRWFTTLQSA-N", "SMILES:CCCOc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJBRFROBVSFYAH-RUYXUALKSA-N", "SMILES:CCOCc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZUKNVHYHBYMQH-PIIMJCKOSA-N", "SMILES:CCCCc1cnc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIHLKFGYOKIDE-FVQHAEBGSA-N", "SMILES:CCOCc1cnc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQXQXOYNTXHBKK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUSZLVORFRBCV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDRXBZLEXZZNDE-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(C)c(C#Cc3cc(-c4cnn(C)c4)cnc3N)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGXJVABIGLWCA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKQBPWOWAPASE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTLTEQOMHHSHA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPECPDRNHJBWIQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGKKRWINAOYAO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKMGFTWNVQVDU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAIDALGUFLXDGM-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(C)c(C#Cc3cc(-c4cnn(C)c4)cnc3N)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBUOWKLCCILDJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAVJRMCNDPAQPS-BAILOTOSSA-N", "SMILES:C/C(=C\\c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGADVCRVSDGGY-QIPRVMPFSA-N", "SMILES:COc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(/C=C(\\C)c4c(F)cccc4Cl)cc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXBTANDFXVVTI-BAILOTOSSA-N", "SMILES:C/C(=C\\c1ccc2c(c1)N(S(=O)(=O)c1cccc(OC(F)F)c1)C[C@H](CCC(=O)O)O2)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQZVODLWNDRBM-JMPLCFMRSA-N", "SMILES:C/C(=C\\c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWYZVGKIYDKCQ-NXNYUAIASA-N", "SMILES:C/C(=C\\c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C3CC3)c1)C[C@H](CCC(=O)O)O2)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPQYNFQULKCPRB-POLXVDLBSA-N", "SMILES:C/C(=C\\c1ccc2c(c1)N(S(=O)(=O)c1c(OCCO)nn3c1CCCC3)C[C@H](CCC(=O)O)O2)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQAJIBKSKZNTO-HKMNZKMDSA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(/C=C/c3c(Cl)cccc3C(F)(F)F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISSPYIQTARKDDG-RRXSNJIPSA-N", "SMILES:C/C(=C\\c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGMDZNZLVXCRY-SLTDHEAWSA-N", "SMILES:C/C(=C\\c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDMYLIJUBRHCCJ-NXNYUAIASA-N", "SMILES:C/C(=C\\c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCMHYFHXVUODRD-NXNYUAIASA-N", "SMILES:C/C(=C\\c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJLUOMRELDMJR-BAILOTOSSA-N", "SMILES:C/C(=C\\c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDXVCRDVFFQPV-HKMNZKMDSA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(/C=C/c3c(F)cccc3Cl)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHEQOKITZUZASI-XXIDSNJLSA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(/C=C/c3ccc(Cl)cc3F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBROQNPTRYNPU-CZQLGGELSA-N", "SMILES:Cc1ccc(/C=C/c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](CCC(=O)O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULVRYUUSEFAXRJ-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3ccccc3Cl)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOYHIZFFYQMTQZ-IBGZPJMESA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cccc(Cl)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTELNRNAFFFVKA-IBGZPJMESA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3ccc(Cl)cc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZNAAMVHPZKHIZ-IBGZPJMESA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cccc(F)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHOYTCLVDFNMTL-FQEVSTJZSA-N", "SMILES:COc1cccc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](CCC(=O)O)O3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTBXPPLLTXTNE-IBGZPJMESA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cccc(OC(F)F)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANYBESDQKODZLT-QFIPXVFZSA-N", "SMILES:CC(C)c1ccc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](CCC(=O)O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZWRXVWKFKKJG-INIZCTEOSA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cccc(F)c3Cl)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOGOLWNEMVYNJ-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)ccc3Cl)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAGXMDPMHLPWTF-INIZCTEOSA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)cc(F)c3Cl)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCMUGXLJCJJUCJ-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)ccc3F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJSIWDSUXUEJCY-IBGZPJMESA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)cc(F)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJEDAHBJXRUDNL-IBGZPJMESA-N", "SMILES:COc1cc(F)cc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](CCC(=O)O)O3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSISVDYBTQSVOQ-SFHVURJKSA-N", "SMILES:O=C(O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)cc(OC(F)F)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHKXNOTUMKJLP-KSSFIOAISA-N", "SMILES:C[C@@H](C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)ccc3F)ccc2O1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHKXNOTUMKJLP-KDOFPFPSSA-N", "SMILES:C[C@H](C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)ccc3F)ccc2O1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAHCCHSUMAYTQT-SFHVURJKSA-N", "SMILES:CC(C)(C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)ccc3F)ccc2O1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMQGUFWVSJPYTA-KRWDZBQOSA-N", "SMILES:CC(C)(C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cccc(Cl)c3F)ccc2O1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIBOOCWOCHOASH-HNNXBMFYSA-N", "SMILES:O=S(=O)(c1cccc(C(F)(F)F)c1)N1C[C@H](CC2(CO)COC2)Oc2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEKGPURZXNJRM-FQEVSTJZSA-N", "SMILES:O=C(O)C1(C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(-c4cc(F)cc(OC(F)F)c4)ccc3O2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFWGSLBMSXPGZ-SFHVURJKSA-N", "SMILES:O=C(O)C1(C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(-c4cc(F)ccc4F)ccc3O2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUUHNARBUPOGBQ-FQEVSTJZSA-N", "SMILES:O=C(O)C1(C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(-c4cc(F)ccc4F)ccc3O2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGAAUAGLUAYHLE-QFIPXVFZSA-N", "SMILES:O=C(O)C1(C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(-c4cc(F)cc(OC(F)F)c4)ccc3O2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJXFUCNFTZJLC-IBGZPJMESA-N", "SMILES:O=C(O)C1(C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(-c4cccc(Cl)c4F)ccc3O2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXHWIJRVQBXEF-HTAPYJJXSA-N", "SMILES:O=C(O)[C@H](O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)ccc3F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXHWIJRVQBXEF-JTSKRJEESA-N", "SMILES:O=C(O)[C@@H](O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)ccc3F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVVAVGGLUBGRAZ-POLXVDLBSA-N", "SMILES:CCOc1nn2c(c1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc3ccc(/C=C(\\C)c4c(F)cccc4Cl)cc31)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUUDGYHKIEWFA-TVADFSRQSA-N", "SMILES:COc1ccccc1/C(C)=C/c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGEYJIMYIDJKTF-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4c(ccc5ccccc54)s3)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHIOKXYLIHOWKU-UHFFFAOYSA-N", "SMILES:O=C(O)C1NCCCC1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHQFAXDSRWEOU-UHFFFAOYSA-N", "SMILES:O=C(O)C1NCCC1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGQWJIMDQFTNEK-UHFFFAOYSA-N", "SMILES:O=C(O)C1CC(CCB(O)O)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKQIZEYTMQTGJX-UHFFFAOYSA-N", "SMILES:O=C(O)C1CC(CCB(O)O)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHQFAXDSRWEOU-RQJHMYQMSA-N", "SMILES:O=C(O)[C@H]1NCC[C@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHQFAXDSRWEOU-BQBZGAKWSA-N", "SMILES:O=C(O)[C@H]1NCC[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXSNVWOSAGGXOM-RITPCOANSA-N", "SMILES:O=C(O)[C@H]1NC[C@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXSNVWOSAGGXOM-WDSKDSINSA-N", "SMILES:O=C(O)[C@H]1NC[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDAPIAXTFPHJI-BQBZGAKWSA-N", "SMILES:O=C(O)[C@H]1NCCC[C@H]1CCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNTPNOYKUYLUHM-BQBZGAKWSA-N", "SMILES:O=C(O)[C@H]1NCCO[C@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNBRMNYXKMXAA-CSMHCCOUSA-N", "SMILES:CN[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXFFCSCKVJVGMO-VGMNWLOBSA-N", "SMILES:CN(C)[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKYZBMYPZBDSH-CSMHCCOUSA-N", "SMILES:O=C(O)[C@H]1NC[C@H](NCC(F)(F)F)[C@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GABSCVYRYNHLAP-VGMNWLOBSA-N", "SMILES:CC(=O)N[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYPMCSPJGHKSDK-KZVJFYERSA-N", "SMILES:C[C@H](N)C(=O)N[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLBIQIMRUSEHO-RCWTZXSCSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLBIQIMRUSEHO-YTWAJWBKSA-N", "SMILES:CC(C)[C@@H](N)C(=O)N[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBALAITJHUACX-RHYQMDGZSA-N", "SMILES:CN[C@H](C(=O)N[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXUDUCHMUXQNHF-YAMSLAJTSA-N", "SMILES:CC(C)[C@@](C)(N)C(=O)N[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSRLJCBZDVBLE-HIFRSBDPSA-N", "SMILES:O=C(O)[C@@]1(CCN2CCCCC2)NCC[C@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMISGYKXZXGVNB-VXNVDRBHSA-N", "SMILES:C[C@@]1(CCCB(O)O)CCN[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGBAZNRPPPIHMD-VXNVDRBHSA-N", "SMILES:O=C(O)[C@H]1NCC[C@@]1(CO)CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVCFKADHAODAQG-VXNVDRBHSA-N", "SMILES:NC[C@@]1(CCCB(O)O)CCN[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJNNXKXXHBTON-PRJMDXOYSA-N", "SMILES:C[C@@H]1C[C@@H](CCCB(O)O)[C@@H](C(=O)O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRXOGAFWXBCIE-CSMHCCOUSA-N", "SMILES:O=C(O)[C@H]1N[C@H](CO)C[C@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMVZJNYSPHDDD-CSMHCCOUSA-N", "SMILES:NC[C@@H]1C[C@@H](CCCB(O)O)[C@@H](C(=O)O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWYSKJNFZLVTC-CSMHCCOUSA-N", "SMILES:CO[C@H]1CN[C@H](C(=O)O)[C@@H]1CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWMMMNZRBWMHKZ-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(C)NCc2ccc(C(F)(F)F)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJQHRVUXPWESE-GFCCVEGCSA-N", "SMILES:C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJQHRVUXPWESE-LBPRGKRZSA-N", "SMILES:C[C@@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNSIQWWUXFSTGO-CYBMUJFWSA-N", "SMILES:C[C@H](CCc1ccc(Cl)cc1)NCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOXCLDKXSCBOOF-CYBMUJFWSA-N", "SMILES:COc1cc2c(cc1OC)CN([C@H](C)CCc1ccc(Cl)c(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNYULNQESTNGR-CYBMUJFWSA-N", "SMILES:COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZMKZNSLFDBBJT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISQAPFMBJFZOLG-UHFFFAOYSA-N", "SMILES:CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(S(C)(=O)=O)cc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOSZTBOMAKNEAC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C)nc(-c3cccc(F)c3O)n(CCc3ccccc3)c2=O)s1"]}
{"name": "Extracellular calcium-sensing receptor", "xref": ["CHEMBL.TARGET:CHEMBL4105868"], "id": "UniProtKB:Q9QY96", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFDADFMMNADXMI-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTSZTFLLOJXER-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(CCc3ccccc3)c(-c3cccc(F)c3O)nc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZDCIUAZFSKXPK-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2c(C)nc(-c3cccc(F)c3O)n(CCc3ccccc3)c2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUXVJNGWRQKZGH-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1-c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKHPDBNPSSKDDD-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1-c1ccc(CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXPGEIURRRWLM-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1-c1ccc(-c2ccccn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPCZOMPPQPNCTF-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1-c1cc(-c2ccccn2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOQORVDNYPOZPL-UHFFFAOYSA-N", "SMILES:COc1nc(C2=NOC(C3CC3)C(c3ccc(Cl)cc3)N2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUWAHJWWMJPTOO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccc(C(F)(F)F)cc2)CC1"]}
{"name": "L-methionine gamma-lyase", "xref": ["CHEMBL.TARGET:CHEMBL4879552"], "id": "UniProtKB:Q8RDT4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:190304"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVKHENHHALGEC-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMQPIYIOYAGXML-HDJSIYSDSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2Cc3cccc(F)c3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAJSBOXPNXASDA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(-c2ccc(C(F)(F)F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBEVIRCFUVYYBY-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCZQNQXJPMUTQA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2ccc(F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQFAJUXOXYTNT-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMZCKURPFXLGRL-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGEIDALRFBLEJF-UHFFFAOYSA-N", "SMILES:CC(C)(Cc1cccc(C(F)(F)F)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDYISPLRQSPMME-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(F)(F)F)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGAJZMZZYBMULE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMODAZOWQOTKJZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIMYSKQEMOELX-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(C(=O)O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZRUHWDZMKKQF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CN)(c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTXIOLPGIKSOJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCC(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRRLYNMNEMPYBG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(F)(F)F)nn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPHYBXRGMMEZJJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2ccccc2F)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAWUKDNZKBNXBC-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXGVODHXUFPML-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OC(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKVGKJIDRIJJPY-UHFFFAOYSA-N", "SMILES:Nc1cc(F)c(OCC2CCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUDBHUQOYVJYGW-UHFFFAOYSA-N", "SMILES:CC(C)(CC(=O)O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFVZZPBKPNWGMO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c(OCC2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHIMJBMQONIHF-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]cc(C(C(=O)O)C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYFCGUVKJAVDBU-UHFFFAOYSA-N", "SMILES:CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFUFJWPMANMIAI-UHFFFAOYSA-N", "SMILES:Fc1cccc(C2N=NC3=CC=C(Br)CN32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOGAKFHVIAQANZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(-c2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENCSYPHQKYCJZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(OCC(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZXZLODCGSAFNJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGLETHNIUVDGO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXSOJRBPNOZFU-SHTZXODSSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2Cc3ccc(F)cc3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBUHVALFKKGSF-UHFFFAOYSA-N", "SMILES:CC(C)(CC(=O)O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCXVAQFBOIWEI-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(C(C(=O)O)C(F)(F)F)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCYHTOLLMRNJO-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCN2CCCC2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWIJCTSZOOSBAF-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIFVIHCIQNHAI-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)NC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDWCMLKZWQGGJN-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)COc1ccc(C(=O)c2c(CCCC)oc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFOZMUQQOMLNRO-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPXIMMQAKXSRQ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMJPFBCRGYXTB-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLEHEXCZVZHJTG-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOVDAQTGGOGFW-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQAZJEJYZKJSMZ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZPAFDIOIHPWEI-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGAYQGCWSBKIOP-FQEVSTJZSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGAYQGCWSBKIOP-HXUWFJFHSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYYYDEHWWVXETQ-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)CCCOc1ccc(C(=O)c2c(CCCC)oc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSNFURAXPVUAB-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCC(=O)N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXITUARNFZMFHG-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCC(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJSHDXFQMXLYJD-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCC(=O)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPMIZRMPQWXCM-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCC(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFAUQWEPRJQBS-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCC(=O)N(C)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAXRFVJCLWUIGR-QFIPXVFZSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCC(=O)N[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAXRFVJCLWUIGR-JOCHJYFZSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCC(=O)N[C@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNOMYBDPGOMADI-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(C)C)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVIFWXJVNKTRIC-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN2CCCCC2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRHUKLREVQSHJP-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCN2CCCCC2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDAGTFJFMMEIIQ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCN2CCOCC2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXBHSOKZWPFHLN-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCN2CCN(C)CC2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXFDCNCVPFOAD-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCN2CCN(CC)CC2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUTDUSHTUQTQAZ-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCN2CCN(Cc3ccccc3)CC2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QERMTHBSUMXFGS-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCN(CC)CC)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPWBMDYRWHMII-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCN(CCCC)CCCC)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHLKZOTUOQIDOO-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCNCc2ccccc2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTLHJIYGRCGFD-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCN(C)Cc2ccccc2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZXBMCTFUFPLR-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCQUVHQPINZZAB-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPEBKOZMIAAWMV-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN2CCCC2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJTBXXHCMCHWJI-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(Cl)c(OCCCN2CCCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFGPTHSZSREHIW-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(Br)c(OCCCN2CCCC2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNJXXJWSZJARJS-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(C)c(OCCCN2CCCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLQMGDOFQWWEG-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCC2CCCC2)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUGLCKBNARAPP-VPCYUHQDSA-N", "SMILES:COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@H](NCc4ccc5c(c4)OCCO5)CO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKENRSAOABWGQG-WZKVZRAUSA-N", "SMILES:COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@H](NCc4cc5c(nn4)OCCS5)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUTCIOKBWBLIHI-SRMJIJMDSA-N", "SMILES:COc1ccc2ncc(F)c(C[C@H](O)[C@H]3OC[C@H](NCc4cc5c(nn4)OCCS5)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQBPRTUBQKFRKZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODYXZOJWGXFSQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(Cl)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCOPGKVFHCXUKH-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2cccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECAAQDHFZNFPB-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2ccc(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNXAQPCYKEICY-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLDFQYDDBCJGG-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2cc(C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPVYZOPRHZKNJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLZWIKXFFYPHRV-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2c(C)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTAGUMGLNICZSD-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIZQIUZLCMHAK-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C)c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4850618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVKGPGIOVJYAHI-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)OC)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBFYEWPUQVAKY-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFOKOKHNSVUKON-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2ccc(Br)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4855258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYRBRRHLWKNHTH-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2ccc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHZPBVYRAXBOT-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C)c2ccc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTJQWNKXXOOGZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(C)c2ccc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRERJGWCVMKGOG-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C)c2ccc(-c3ccco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDQVJYGAFPKHZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C)c2ccc(-c3ccoc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLNVMKPTQPICJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C)c2ccc(-c3cccs3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZUXYMSSWGZDIN-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C)c2ccc(-c3ccsc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEWVYAPASCCNO-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C)c2ccc(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJVLZDDECEONQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C)c2ccc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBJPRXHCUOLAFA-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(C)c2c(Cl)cc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYDWGICHMXRUTA-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2ccc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVGAXYQYTMLRNQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(-c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YERJAZOWDDXOLA-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccccc1)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMARJVJNXLXPIX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2cccc(C(=O)Nc3cnn(C4CCNC4)c3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIRKUAGPNQXHEP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ncc3nc(Nc4ccccc4Cl)ncc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBGXSIGWZPTCE-UHFFFAOYSA-N", "SMILES:O=C(NC1COC1)c1cc(-n2ncc3nc(Nc4ccccc4Cl)ccc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPJQSSWRLLVEZ-UHFFFAOYSA-N", "SMILES:O=C(NC1COC1)c1cc(-n2ncc3cc(Nc4ccccc4Cl)ncc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMFKZZQEDNOJZ-UHFFFAOYSA-N", "SMILES:O=C(NC1COC1)c1cc(-n2ncc3cc(Nc4ccccc4Cl)cnc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZWLMGDVMWXOW-UHFFFAOYSA-N", "SMILES:O=C(NC1COC1)c1cc(-n2ncc3cc(Nc4ccccc4Cl)c(F)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSGQLCRNDPQFNY-AWEZNQCLSA-N", "SMILES:O=C(N[C@H]1CCOC1)c1cc(-n2ncc3cc(Nc4ccccc4Cl)c(F)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLEMAYBWCXSCBM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCOCC1)c1cc(-n2ncc3cc(Nc4ccccc4Cl)c(F)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNVVWLFRMWZRV-VSLDJYOXSA-N", "SMILES:[2H]C([2H])([2H])N1CC[C@H](NC(=O)c2cc(-n3ncc4cc(Nc5ccccc5Cl)c(F)cc43)cs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNOBUOFKVJJORP-INIZCTEOSA-N", "SMILES:CC(=O)N1CC[C@H](NC(=O)c2cc(-n3ncc4cc(Nc5ccccc5Cl)c(F)cc43)cs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCSPNAHQHBSATE-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cc(-n2ncc3cc(Nc4ccccc4Cl)c(F)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLOWBCPGKBVSGH-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)F)c1cc(-n2ncc3cc(Nc4ccccc4Cl)c(F)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFFMIPOKWLBRH-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cc(-n2ncc3cc(Nc4ccccc4Cl)c(F)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMNBFRGLJDTJG-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1cc(-n2ncc3cc(Nc4ccccc4Cl)c(F)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMMMCYBZGARUKP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ncc3cc(Nc4ccccc4Cl)c(F)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTFWOWGRYVMGKI-DBHFXHLNSA-N", "SMILES:[2H]C([2H])([2H])N1CC[C@H](NC(=O)c2cc(-n3ncc4cc(Nc5ccccc5Cl)ccc43)cs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTIZLXTOMJFTP-LJQANCHMSA-N", "SMILES:CC(C)N1CC[C@@H](NC(=O)c2cc(-n3ncc4cc(Nc5ccccc5Cl)ccc43)cs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFREKXWJOQZSG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ncc3cc(Nc4ccccc4Cl)c(OC)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBMKTXSJOENPI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ncc3cc(Nc4c(F)cccc4Cl)c(F)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSFZMDKHAONJTA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ncc3cc(Nc4c(F)cccc4OC)c(F)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAPSMYSZFOTZPZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ncc3cc(Oc4ccccc4Cl)ccc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFAYPAXFHVGTH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ncc3cc(Nc4ccccc4Cl)cnc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFZJFPUOKUFWQU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ncc3cc(Nc4c(F)cccc4Cl)ncc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOWZBTCWJHFAQE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ncc3cc(Nc4c(F)cccc4Cl)cnc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQHWGFRFUSNBMX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-n2ncc3cc(Nc4c(F)cccc4Cl)c(C)nc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNIKHXLTLSOEA-UHFFFAOYSA-N", "SMILES:Cc1nc2c(cnn2-c2csc(C(=O)NC3COC3)c2)cc1Nc1cccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEKXWKLEXYHQPV-UHFFFAOYSA-N", "SMILES:Cc1nc2c(cnn2-c2csc(C(=O)NC3COC3)c2)cc1Nc1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUDWKEAEZWLVGN-UHFFFAOYSA-N", "SMILES:Cc1nc2c(cnn2-c2csc(C(=O)NC3COC3)c2)cc1Nc1cc(F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMADGZAPDHVHE-UHFFFAOYSA-N", "SMILES:Cc1nc2c(cnn2-c2csc(C(=O)NC3COC3)c2)cc1Nc1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEUGAPJJAWVQQB-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(-c3ccccc3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTLJMHVHZUHDOI-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(NCc3ccc4c(c3)OCO4)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTEAONJXGZAKSW-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1n[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZVFCHQMDMABHE-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2n[nH]c3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVPZUBYVUQQES-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2n[nH]c3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCHIXUQZEXUYTA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZLZECAAYUSPH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2n[nH]c3cc(F)ccc23)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAXBJWXEVWWAL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2n[nH]c3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPMOCRMPATKAA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKPLGKVAJMCSQQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBWBKIKGZOWIA-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2n[nH]c3cc(F)ccc23)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFYNEYLQSJPFO-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2n[nH]c3cc(F)ccc23)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVCEQYSPKXVFR-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2n[nH]c3cc(F)ccc23)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEYSYVDTGOQBTP-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc(-c2n[nH]c3cc(F)ccc23)c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRHQAQKFPKSSL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc(-c2n[nH]c3cc(F)ccc23)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRAZLUJHDWIPL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc(-c2n[nH]c3cc(F)ccc23)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKABZJHKICMNB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccccc1)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNSMGYXFYOTGA-UHFFFAOYSA-N", "SMILES:O=S(=O)(NC1CCCCC1)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFLNNDRWIDAIT-UHFFFAOYSA-N", "SMILES:O=S(=O)(NC1CC1)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHOFZHZKBMJDI-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccccc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLQJGWLCGQCGOM-UHFFFAOYSA-N", "SMILES:O=S(=O)(NC1CCCCC1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGXYURIWLBTQKR-UHFFFAOYSA-N", "SMILES:O=S(=O)(NC1CC1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBQXVYNGIEOCM-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccnc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSQYNDFBLBPPD-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMYKJOMQJVLTR-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGUQVLFWGIIMTO-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBMGXFQGUFAAMM-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZMAIXRWZGPJTJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMEPJWIYKUOMMA-UHFFFAOYSA-N", "SMILES:COc1ccccc1NS(=O)(=O)c1cccc(-c2n[nH]c3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVTORBVTBSZTAK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFOROSFXOBRQDY-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAYPPNDWFLSCBV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXRDZBMUQCQJQ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPGKIIJWSLZSG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNVLUCHCKZGJKL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFZSIZJKGXJRZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQCBLPJCIOITFM-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPIXJBLUTUTAEN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL420767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUNIDQZQNDLTI-VIZZQPHQSA-N", "SMILES:C[C@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL312041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBCSFBTMZBWKU-CTNGQTDRSA-N", "SMILES:CC(C)(O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUIGLFJCJDVFW-VJTSUQJLSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAYCWCZQCSBSEJ-KKUQBAQOSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWKGVHGBOZNCF-VJTSUQJLSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL311662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPYQHDGIOUODBE-KKUQBAQOSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEARMWUWKRDRV-BQQUOAEZSA-N", "SMILES:COc1cc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNMYFBXYVIUDKT-DOEKTCAHSA-N", "SMILES:COc1cc([C@@](C)(O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEGTZPFCUQUJQF-PUHATCMVSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRBSUDYHJGRMJ-HJOGWXRNSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@](C)(O)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL312627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMZHALVIXXTIZ-LSWJPFSZSA-N", "SMILES:CC(C)(C)[C@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPESZBNARSYUSM-GIVPXCGWSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEEUNPHRBDQZAB-DLVCFXQMSA-N", "SMILES:Cc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@H](C)O)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMLSVZWELNQIFO-IRLDBZIGSA-N", "SMILES:Cc1ccc(-n2ncc3c2C=C2CCC[C@H](C(C)(C)O)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZLSYKQRHBXSKA-AFESJLNVSA-N", "SMILES:Cc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@H](O)c4ccccc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAQXEYPRPFLUKU-QKDODKLFSA-N", "SMILES:Cc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@](C)(O)c4ccccc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSBJDWRTWWCNM-AFESJLNVSA-N", "SMILES:Cc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@H](O)c4ccc(F)cc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKIMOQSDDVZQL-QKDODKLFSA-N", "SMILES:Cc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@](C)(O)c4ccc(F)cc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEHMKTVARCQJKJ-AIGMYPEUSA-N", "SMILES:COc1cc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(C)cc4)C[C@@]32C)cc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHUWKZBMPIXQNI-PPYNKBHJSA-N", "SMILES:COc1cc([C@](C)(O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(C)cc4)CC32)cc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJDWQWKXBYRXJF-NHTMILBNSA-N", "SMILES:Cc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@H](O)c4ccsc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMUMLYVXRLBQRQ-SDHOMARFSA-N", "SMILES:Cc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@](C)(O)c4ccsc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSMWRLVSUMWSN-ZKYUUJBMSA-N", "SMILES:COc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@H](C)O)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGKWYAFLKLWNU-IRLDBZIGSA-N", "SMILES:COc1ccc(-n2ncc3c2C=C2CCC[C@H](C(C)(C)O)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTQYCNGUCYSET-AFESJLNVSA-N", "SMILES:COc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@H](O)c4ccccc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSPTUZQAHSAAS-QKDODKLFSA-N", "SMILES:COc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@](C)(O)c4ccccc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGXZEYPOFOTRPN-AFESJLNVSA-N", "SMILES:COc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@H](O)c4ccc(F)cc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJPJQZFHPSIOW-QKDODKLFSA-N", "SMILES:COc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@](C)(O)c4ccc(F)cc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGAGBQKNPFAEQ-ZYOOMIPPSA-N", "SMILES:COc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@H](O)c4cc(F)c(F)c(OC)c4)C2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASPQXYKXFSVPK-MYKRZTLLSA-N", "SMILES:COc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@](C)(O)c4cc(F)c(F)c(OC)c4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPRCIKPOORTUQC-NHTMILBNSA-N", "SMILES:COc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@H](O)c4ccsc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOBAQIGXJTWJIG-SDHOMARFSA-N", "SMILES:COc1ccc(-n2ncc3c2C=C2CCC[C@H]([C@@](C)(O)c4ccsc4)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYZWJJFNKUFZDM-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1(N2CCCC2=O)C(=O)Nc2ccc([N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTGUNYJYJAICV-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1(N2CCC2=O)C(=O)N(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYYKCIOIAMBNW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1(N2CCC2=O)C(=O)N(Cc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYOACLKGYOOPGE-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1(N2CCC2=O)C(=O)Nc2ccc(I)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGONSNLOPDKSJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)C(C(=O)NC(C)(C)C)(N1CCC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQMUNARCQVEIB-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)NC(=O)C1(N2CCC2=O)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBAUSPPWDKTQB-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)NC(=O)C1(N2CCC2=O)C(=O)N(Cc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNAUNXYJPJPMT-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1(N2CCCC2=O)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZTIQVPFGTXSNZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1(N2CCCC2=O)C(=O)N(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALNAEAODJHBWQC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1(N2CCCC2=O)C(=O)N(Cc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFHCJSBBEJWOAZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1(N2CCCC2=O)C(=O)Nc2ccc(I)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMDISCZLTLKDBO-UHFFFAOYSA-N", "SMILES:O=C1CCCN1C1(C(=O)NC2CCCCC2)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYJYOJIRRVVJZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)NC(=O)C1(N2CCCC2=O)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWSNAGNRQXQJQ-UHFFFAOYSA-N", "SMILES:O=C1CCCN1C1(C(=O)NCc2ccccc2)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPWMEVELMVXJA-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)NC(C)(C)CC(C)(C)C)(N2CCCC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHBHYPBUXLUGB-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(C(=O)N(C)C)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUPUZGUBANICT-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(C(=O)NCc2ccccc2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXHAJWRRCOBEF-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(C(=O)N(CCC)Cc2ccccc2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQNPYEHFAWFXRM-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(=O)c(C(=O)N(C)CCc2ccc(Cl)cc2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCINEYMTISNZFK-IBGZPJMESA-N", "SMILES:CCCCc1[nH]c(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCINEYMTISNZFK-LJQANCHMSA-N", "SMILES:CCCCc1[nH]c(=O)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLXPBZJTSAPLSN-IBGZPJMESA-N", "SMILES:CCCCc1nc(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLXPBZJTSAPLSN-LJQANCHMSA-N", "SMILES:CCCCc1nc(=O)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVOZQKVYSKADL-SFHVURJKSA-N", "SMILES:CCOCc1nc(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQIHNPUEKPNRRI-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(C(=O)N2CCC(c3ccc(Cl)cc3)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBDLSRTTBGEPS-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(C(=O)N2CCC(c3ccccn3)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZWWONYTHLSMAF-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(C(=O)N2CCC(c3cccnc3)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYALXHDMGGCLAX-UHFFFAOYSA-N", "SMILES:CCCCc1nc(=O)c(C(=O)N2CCC(c3ccncc3)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQCOKRJNWPXJJ-MRXNPFEDSA-N", "SMILES:CCCCc1nc(=O)c(C(=O)N2CC[C@@H](c3ccc(Cl)cn3)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQCOKRJNWPXJJ-INIZCTEOSA-N", "SMILES:CCCCc1nc(=O)c(C(=O)N2CC[C@H](c3ccc(Cl)cn3)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866732", "category": ["biolink:ChemicalEntity"], "name": "AZELAPRAG", "xref": ["InChIKey:DOMQFIFVDIAOOT-ROUUACIJSA-N", "SMILES:COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1cncc(C)c1"], "synonym": ["Azelaprag"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPTDHHSIRYFAHU-UHFFFAOYSA-N", "SMILES:CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(C)cn3)o2)c(O)c1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCANZAHOPBVTOI-GVUKCBQMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCNC1=O"]}
{"name": "Carboxypeptidase B", "xref": ["CHEMBL.TARGET:CHEMBL4065"], "id": "UniProtKB:P09955", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKURUCNQGTUXLW-MBESRIGFSA-N", "SMILES:C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)OCCNc1nc(NCCc2ccccc2)c2cnn(/C=C/c3ccccc3)c2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHLIKQGXWXZMH-WDMHCASGSA-N", "SMILES:C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)OCCNc1nc(NCCc2ccccc2)c2cnn(/C=C/c3ccccc3)c2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAOYAWHHLUVMFT-NTCAYCPXSA-N", "SMILES:OCCNc1nc(NCCc2ccccc2)c2cnn(/C=C/c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKNPVMZBCKSLF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(Cc3cc(F)cc(F)c3)C4(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEJVJFDKNVXDE-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQPDOVMXHLHLEE-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2Cc3c(NC(=O)c4ccccc4)n[nH]c3C2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCYDHRJSOQECM-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2Cc3c(NC(=O)c4ccccc4)n[nH]c3C2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHNFKNSUZFGTIF-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDPIXVRUUTUSL-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDGBZTQXNAHBSP-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONMTNBZGWDKRW-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLGOTGWGWMGRB-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJZQGGLMNUXRHY-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNZQNWKBKUAII-KDOFPFPSSA-N", "SMILES:O=C(Nc1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12)N1CC[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXOVGNIUOWCANK-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSKQTMBVFNGYQX-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJIOPQZNALFNCJ-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDIRXTHCIMRDHX-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIKCQFMJSYFBIK-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIGMRNQFOINBLX-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMHTRXPFIZCLR-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBMBNWGBJKHVFT-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKADZYQPOZVMO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2Cc3c(NC(=O)c4ccccc4)n[nH]c3C2(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPUFPSCLJMYTB-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c(CN2Cc3c(NC(=O)c4ccccc4)n[nH]c3C2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWWJJWQOYAYJG-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYZPIJDDXNLQS-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cc(F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRBAZPFPAUEWEE-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYTWPCDBYLBCLB-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccc4ccccc4c3)c2CN1Cc1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODICGCBHUSXDV-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccc4ccccc4c3)c2CN1Cc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEBYKTQMFZDTSV-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccc4ncccc4c3)c2CN1Cc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZHRUNHCQCCRZ-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccc(F)cc3)c2CN1Cc1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVCLYDGYOCAABM-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccc(F)cc3)c2CN1Cc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNNQACPDIYWBDW-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccc(Br)cc3)c2CN1Cc1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJLKCOHVGYPAB-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccc(Br)cc3)c2CN1Cc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLJKJPXQBOLMC-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2CN1Cc1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXLTAJEIQMHMD-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2CN1Cc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDQHSHMPFBIGGF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(Cc2cc(F)cc(F)c2)C3(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDWUFEKTWXEZTN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(Cc3cccc(F)c3F)C4(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGURSYZRQQVCZ-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3ccc(N4CC[N+](C)(Cc5cc(F)cc(F)c5)CC4)cc3)c2CN1Cc1cc(F)cc(F)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJGCZBAONSUGFQ-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3cccc(N4CCOCC4)c3)c2CN1Cc1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXDGCSIJRNQOU-UHFFFAOYSA-N", "SMILES:CC1(C)c2[nH]nc(NC(=O)c3cccc(N4CCOCC4)c3)c2CN1Cc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKUKSSGUZFGIN-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(C(=O)Nc2n[nH]c3c2CN(Cc2cccc(F)c2F)C3(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVESTZRUNOZLGT-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(C(=O)Nc2n[nH]c3c2CN(Cc2cc(F)cc(F)c2)C3(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLISFODFWLVRTA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(=O)Nc3n[nH]c4c3CN(Cc3cccc(F)c3F)C4(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRRAHVRJDHPQG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(=O)Nc3n[nH]c4c3CN(Cc3cc(F)cc(F)c3)C4(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJGMTSTZCGZQX-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(Cc2cccc(F)c2F)C3(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKOROKYRNIDSPX-UHFFFAOYSA-N", "SMILES:Cc1ncc(NC(=O)NC2c3ccccc3-c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXJHJFZCYOVDMB-QNGOZBTKSA-N", "SMILES:COc1ccc(/C(C)=N\\OCC(=O)N2CCOCC2)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQKMGFRSDCOQF-QJOMJCCJSA-N", "SMILES:COc1ccc(/C(C)=N\\OCC(=O)N2CC(C)OC(C)C2)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTYCFKAGIEBPC-JWGURIENSA-N", "SMILES:COc1ccc(/C(C)=N\\OCCC(=O)N2CCOCC2)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYPQDWWPAHXLY-MOHJPFBDSA-N", "SMILES:COc1ccc(/C(C)=N\\OCCC(=O)N2CC(C)OC(C)C2)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFDEXUECDDLEC-JWGURIENSA-N", "SMILES:COc1ccc(/C(C)=N\\OCC(O)CN2CCOCC2)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBLEXJSJJEVDU-MOHJPFBDSA-N", "SMILES:COc1ccc(/C(C)=N\\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDTUSSDBWWFHAN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDRVNLINQWSXLE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(Nc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFZSRIWUOPFBI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJYPVJMJUPDBHO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(Nc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKOIMJPCFQKTIB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(Nc4cccc(CN5CCOCC5)c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SATLMLHYSMACNP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(Nc4cccc(N5CCOCC5)c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPSWSEQASCNXHP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUUKWNROYQHVFW-UHFFFAOYSA-N", "SMILES:O=C1CCCc2cc(Nc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQNZKRSDWNBHH-UHFFFAOYSA-N", "SMILES:O=C1CCCc2cc(Nc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)n3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJHDWXXBKQRDQU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)ccc1Nc1nccc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNBUQGYFFMZCK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKFXNVZTMFHFAK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(Nc4cccc(N5CCOCC5)c4)n3)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLKWHJTWJIEDU-UHFFFAOYSA-N", "SMILES:O=C1CCCc2cc(Nc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)n3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEIXPRMIZQMZSX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3cc(Nc4cccc(N5CCOCC5)c4)ncn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWDUHHSOFHISA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3cc(Nc4cccc(N5CCOCC5)c4)ncn3)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBHSGYQWFJZEBZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(Nc4cccc(N5CCOCC5)c4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDBGFTVVBKLHZ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(Oc3ccnc(Nc4cccc(N5CCOCC5)c4)n3)cc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHIUJGGMDZJHML-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(Oc3ccnc(Nc4cccc(N5CCOCC5)c4)n3)c(F)c2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIGUYRDKCOEFN-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(Oc3ccnc(Nc4cccc(CN5CCOCC5)c4)n3)cc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHICSWRSHPZEDK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWNWJCBFFGHPGX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNEYFGFMJGANFQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZAWYVOUZWGDE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQDQLNNYZEFOF-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2ccc(N3CCN(CCCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFYSALVEJKPMHH-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2ccc(N3CCN(CCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSJIUXITMYVHZ-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2ccc(N3CCN(CCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHXZOXRHLQRAZ-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2ccc(N3CCN(CCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKFGRPZNHZHBDB-UHFFFAOYSA-N", "SMILES:COc1ccn(-c2ccc(N3CCN(CCCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXEARDQPESRWIT-UHFFFAOYSA-N", "SMILES:COc1ccn(-c2ccc(N3CCN(CCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYBQHAMKCVWPG-UHFFFAOYSA-N", "SMILES:COc1ccn(-c2ccc(N3CCN(CCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPVXNSRCZUGOK-UHFFFAOYSA-N", "SMILES:COc1ccn(-c2ccc(N3CCN(CCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLRJMYMVOSCSR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCCN3CCN(c4ccc(-n5cc(F)ccc5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVVBEIKGHNTLIV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(-n5cc(F)ccc5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTZLFGZACXWOPC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5cc(F)ccc5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPWQBUGVAZWKV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc(-n5cc(F)ccc5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPAQZIMCOCMLHZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc6ccccc6c5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDZNENPETWKSQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(-n5ccc6ccccc6c5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGUBOPJCHFVENQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc6ncccc6c5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYLPIJGSRWQAL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(-n5ccc6ncccc6c5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUKOVCDDVJCPW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc6occc6c5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLGFCRXXEKJBKA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(-n5ccc6occc6c5=O)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439849", "category": ["biolink:ChemicalEntity"], "name": "VILAZODONE", "xref": ["InChIKey:SGEGOXDYSFKCPT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1"], "synonym": ["Vilazodone", "Vilazodone", "Vilazodona", "Vilazodone", "Emd-68843 base", "Vilazodone", "EMD 515259", "EMD 68843 BASE", "EMD-515259", "EMD-68-843", "Vilazodone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4861823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWFGUSMLXGTDM-JXZOILRNSA-N", "SMILES:CC(=O)N[C@H]1/C(=N/NC(=O)Nc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMKQTBUHEWWXTF-PSAFMVFHSA-N", "SMILES:CC(=O)N[C@H]1/C(=N/NC(=O)Nc2ccc(C)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYYAXUYYKINDX-QFJNLVAVSA-N", "SMILES:CC(=O)N[C@H]1/C(=N/NC(=O)Nc2ccc(C(F)(F)F)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVANXDYUVAZUSR-PSAFMVFHSA-N", "SMILES:COc1ccc(NC(=O)N/N=C2\\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPAXORVUKARTBC-HUMVXZKDSA-N", "SMILES:CC(=O)N[C@H]1/C(=N/NC(=O)Nc2cccc3ccccc23)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPEKTDDWHZOTON-JXZOILRNSA-N", "SMILES:CC(=O)N[C@H]1/C(=N/NC(=S)Nc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJEXXQUCLHHJBJ-YHLCLTHGSA-N", "SMILES:CC(=O)N[C@H]1/C(=N/NC(=O)Nc2ccc(Cl)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMGACPOHAUTPHX-HUMVXZKDSA-N", "SMILES:CC(=O)N[C@H]1/C(=N/NC(=O)Nc2ccc3ccccc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBKCLCEXIDHDR-OANDGCGGSA-N", "SMILES:CC(=O)N[C@H]1/C(=N/O)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBMUDUUHYSLYJB-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Oc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFYSBLXARNZMV-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)CCC(=O)N1CCCCC1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUGSHDHZNEORW-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)CCC(=O)NC1CCCCC1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CABFTBSOCQHMAH-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)CCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNRVESAIJUZCU-SREVYHEPSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)/C=C\\C(=O)N1CCCCC1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJZSDGUGZINOT-CMDGGOBGSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)/C=C/C(=O)NC1CCCCC1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUIPJZLMWJGINA-AATRIKPKSA-N", "SMILES:CC(C)CNC(=O)/C=C/C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLSJRSIPLGVUSE-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)CCCC(=O)N1CCCCC1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXHQMVOXZCMHB-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)CCCC(=O)NC1CCCCC1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZKKTIQTAYGEA-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)CCCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHIYHOVIKPALX-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)c1ccc(C(=O)N4CCCCC4)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBDPDCFPWJYGNW-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)c1ccc(C(=O)NC4CCCCC4)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJDUVHOVMDVTBE-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)CCCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBMMZNUTAAKHTH-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)CCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQCBGWGQHKLKSG-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)CCCC(=O)NC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGAITUMOJRDHM-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)CCCC(=O)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTPGXBNIWVRJM-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)N4CCCCC4)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLWTFJRGVXVMT-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NC4CCCCC4)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWZZCSAOCEZCL-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1ccc(NC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URIYBJNAYURITC-UHFFFAOYSA-N", "SMILES:CC(NC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGYHZWOVUDMEC-UHFFFAOYSA-N", "SMILES:CC(NC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTIPGCKNKNELR-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1ccc(NC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UARYTBRGAUUZBQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)NC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIHGJLQGORBILD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)NC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNFMURLPYHVDG-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNLAJJBQNSKET-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAWWSQYGSRHHFV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)NC1C2CC3CC1CC(O)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJGILMICPMBVAY-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1ccc(NC(=O)NC2C3CC4CC2CC(O)(C4)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWDMBNRXKYHAV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)NC12CC3CC(CC(O)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEZQQYPFBHHJBH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)NC12CC3CC(CC(O)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFYNVXWFYHQBM-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(O)(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTMJYDFHXYZCM-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1ccc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGZSOXDOBDGPY-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3[nH]ccc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGJJTKOMRMWSR-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3[nH]ncc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCAFLOPMMXMMFV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3[nH]cnc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAKKADDYRGRSPL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3[nH]ccc3n2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEYXMWSKHUBGJB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cc3cc[nH]c3cn2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXQCIWGEISYBCY-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]ccc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCLMKIGSCDBKOH-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3c(c2)CCN3)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWUUEOCIWNDVEM-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3c(c2)CCN3)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNUYVJFDQOTNJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]ncc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVPTSVWIYTTDD-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]cnc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAZBWCKVNORJE-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]ccc3n2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBTPMEZYJOJJFU-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3[nH]nnc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSBLXYRHDAFFR-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3[nH]ncc3n2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFCORFQILRTCQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cc3cn[nH]c3cn2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUQSMIAOAMKENL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3occc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYVUYZIIRZKMJL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3sccc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDYZBGVRQNHAHQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3ocnc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISVNIHJSBYMOQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3occc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCWDUYZPBPCQB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3scnc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKJLCITVXGVBEU-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3scnc3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2163507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEQHKOSOICMEF-QIELNMHASA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"name": "Probable periplasmic serine endoprotease DegP-like", "xref": ["CHEMBL.TARGET:CHEMBL4888439"], "id": "UniProtKB:P18584", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRLFRZMKZDITK-UHFFFAOYSA-N", "SMILES:CC(C)C(NC(=O)Cn1cccc(NC(=O)Oc2ccccc2)c1=O)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARUANKYCJRTGW-UHFFFAOYSA-N", "SMILES:CC(C)C(NC(=O)C(C)n1cccc(NC(=O)Oc2ccccc2)c1=O)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXQKZYOJDGVRM-UHFFFAOYSA-N", "SMILES:CC(C)C(NC(=O)C(C)n1cccc(NC(=O)OC(C)(C)C)c1=O)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMPTUEYRPRBNMC-UHFFFAOYSA-N", "SMILES:CCC(C)C(NC(=O)Cn1cccc(NC(=O)Oc2ccccc2)c1=O)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYRYAGADOWPCO-UHFFFAOYSA-N", "SMILES:CCC(C)C(NC(=O)C(C)n1cccc(NC(=O)Oc2ccccc2)c1=O)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWWJDPNUQQIHS-UHFFFAOYSA-N", "SMILES:CCC(C)C(NC(=O)C(C)n1cccc(NC(=O)OC(C)(C)C)c1=O)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAOFRGOIKKCOFS-VEPNZUSMSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFMOAIDLYWHIL-QWXSGBELSA-N", "SMILES:CCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNTJQVZVZCGYKL-QWXSGBELSA-N", "SMILES:CCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGZMCOHVVTSNJ-VEPNZUSMSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUVLNCXUQVECW-QWXSGBELSA-N", "SMILES:CCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWUYFQPDXTWCR-CVTMBVITSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZNOQJIMPKOLO-BEMTXIMASA-N", "SMILES:CCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARUANKYCJRTGW-QASNXKAYSA-N", "SMILES:CC(C)C(NC(=O)[C@H](C)n1cccc(NC(=O)Oc2ccccc2)c1=O)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYRYAGADOWPCO-YNWJMLEKSA-N", "SMILES:CCC(C)C(NC(=O)[C@H](C)n1cccc(NC(=O)Oc2ccccc2)c1=O)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQFCXCEBYINGO-DLBZAZTESA-N", "SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4845760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQFCXCEBYINGO-SJORKVTESA-N", "SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(C)=C[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4866994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYSKGFVNNSQLL-UHFFFAOYSA-N", "SMILES:Oc1c(F)c(F)cc(-c2nc(-c3ccc(-c4ccsc4)cc3)no2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOKSMRHODVPEHV-UHFFFAOYSA-N", "SMILES:CC(c1ccc(O)cc1)c1nc(-c2ccc(-c3ccsc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXCSDOHVLIGHX-UHFFFAOYSA-N", "SMILES:Oc1cccc(CCc2nc(-c3ccc(-c4ccsc4)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTVFIIVTUXNET-QGZVFWFLSA-N", "SMILES:N[C@H](c1ccc(O)cc1)c1nc(-c2ccc(-c3ccsc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKPUYZCCJGQYGR-UHFFFAOYSA-N", "SMILES:Nc1ccc(O)c(-c2nc(-c3ccc(-c4ccsc4)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQRRIGABHUYXRQ-UFTMZEDQSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](C(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)N1CCNCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDOZSBIDVZNELF-UFTMZEDQSA-N", "SMILES:CCN(Cc1ccc(-c2cn[nH]c2)cc1)C(=O)[C@@H]1CCCN(c2cccc(OC(C)(C)C(=O)N3CCNCC3)c2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSPIQPSTCHNDQ-DPODCYPTSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCC6CC6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSYLBNPTBTYVDS-OWDVXBOWSA-N", "SMILES:COc1ccc(CNc2cccc([C@H]3C[C@@]45CC[C@]3(OC)[C@@H]3Oc6c(OC)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQJMOWFXPLEYKT-IDIMHKJDSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccc(NC(=O)c6ccccc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAHPRCEAIMOCG-CLRRHZRJSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(N)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPKWQLCFAVQULT-VTPACTEHSA-N", "SMILES:CNc1cccc([C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNZGMDJLZORCW-YSZDWGKDSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCC6CCC6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDMLBIMITXSDD-OWDVXBOWSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc(C)cc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTJETJADJZKQY-KITGGQQXSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc(Cl)nc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKNAYVRLGXNUMN-KRSIGYQBSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NC(=O)C6CC6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQHYJWBHGEYBX-IDIMHKJDSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NC(=O)c6ccccc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABNVITYPBOODBU-ZGELKJLSSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc([C@H]3C[C@@]45CC[C@]3(OC)[C@@H]3Oc6c(OC)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRXIXBRJVMCAQ-HDULXAKOSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NC(=O)c6ccc(C)c(C)c6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMYYDUDJQKQPQA-YCMWWSBJSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCC(O)COc6cccc7[nH]c8ccccc8c67)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXKACRKTSDDLU-BNZUBNTLSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc(F)cc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKMFLLKOZSRSEI-OWDVXBOWSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6cccc(C)c6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIYFTZDXFUCNNR-OWDVXBOWSA-N", "SMILES:COc1cccc(CNc2cccc([C@H]3C[C@@]45CC[C@]3(OC)[C@@H]3Oc6c(OC)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SODLTESUYQUJNW-BNZUBNTLSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc(OC(F)(F)F)cc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQWXHLFMZEXSX-BNZUBNTLSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc(C(F)(F)F)cc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFVZPZGYDMVOQ-BNZUBNTLSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc([N+](=O)[O-])cc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPJPSBLYDTCBY-BNZUBNTLSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc(N)cc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGKGFXLBGZLTOO-BNZUBNTLSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc(O)cc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEJTTSUQWUTQC-SCYFHADWSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc(OC(C)=O)cc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONJCANYUIULPJ-GQGKZFSZSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc(OCC7CC7)cc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOIORAHDPZIRN-ULPHGGBCSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccc(OCC7CCC7)cc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQEPCIDYOYBHDP-BNZUBNTLSA-N", "SMILES:COc1ccc(CNc2cccc([C@H]3C[C@@]45CC[C@]3(OC)[C@@H]3Oc6c(O)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZDCBSFIJQJME-BNZUBNTLSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4cccc(NCc6ccccc6)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEASAYGDKVRAMO-QGZVFWFLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXUXZIASGJFGBR-OAQYLSRUSA-N", "SMILES:N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRLUHAJWAOVBM-GOSISDBHSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(C(=O)OC)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMSDFFGKJNOEH-JOCHJYFZSA-N", "SMILES:COC(=O)c1cccc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWGEINOVLYHHJ-JOCHJYFZSA-N", "SMILES:COC(=O)c1ccc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMGKKSNMVIUDIH-LJQANCHMSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)NCC(=O)OC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEXXPSRFJLVTH-FGZHOGPDSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)N3CCC[C@@H]3C(=O)OC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEHDADFYNAYHE-FXAWDEMLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)N[C@@H](C)C(=O)OC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJALQGFRMZOPP-GOSISDBHSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)NCC(=O)O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKGOSXEWQBATA-RTWAWAEBSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)N3CCC[C@H]3C(=O)O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKGOSXEWQBATA-NHCUHLMSSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)N3CCC[C@@H]3C(=O)O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHENOCMIWLEWDM-QFBILLFUSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)N[C@@H](C)C(=O)O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLJHYPHBSSSUNE-OAHLLOKOSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(F)c(C(=O)O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUESYHSIIJPPEA-MRXNPFEDSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(C(=O)O)ccc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHPODXPOWPNFMI-OAHLLOKOSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(Br)c(C(=O)O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKFJSHRYWSHQP-QGZVFWFLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(Br)cc(C(=O)O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFVCBKABZGJLK-MRXNPFEDSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(C(=O)O)ccc2Br)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHSABQSZAJRCKE-OAHLLOKOSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(Cl)c(C(=O)O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFQXMBSLZWFQG-MRXNPFEDSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)OC)c2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNPCVKXNHSFLS-MRXNPFEDSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(F)c(C(=O)OC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATRYXVNUZEIJK-QGZVFWFLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(C(=O)OC)ccc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGVUHOUURHWRPO-MRXNPFEDSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)OC)c2Br)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQEQJFRNJAHUTF-MRXNPFEDSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(Br)c(C(=O)OC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIHKGIDJKYCFHB-GOSISDBHSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(Br)cc(C(=O)OC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLRRGRLUNMSFLF-QGZVFWFLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(C(=O)OC)ccc2Br)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLAVPNGGDHKMCL-MRXNPFEDSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(Cl)c(C(=O)OC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHASZSSCCIZULH-HXUWFJFHSA-N", "SMILES:N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccccc2C(=O)O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFEQFBIUOAQBRV-OAQYLSRUSA-N", "SMILES:N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(C(=O)O)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCQJGIZQLXZPF-OAQYLSRUSA-N", "SMILES:N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWFBYGBQIXDWCY-OAQYLSRUSA-N", "SMILES:COC(=O)c1ccccc1Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEXXPSRFJLVTH-YADHBBJMSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)N3CCC[C@H]3C(=O)OC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235966", "category": ["biolink:ChemicalEntity"], "name": "SCOULERINE", "xref": ["InChIKey:KNWVMRVOBAFFMH-HNNXBMFYSA-N", "SMILES:COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2"], "synonym": ["Aequaline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4860632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGWAFWFSLCHCJD-UVPQXQFPSA-N", "SMILES:C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CCOC(=O)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4872792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTKSCGLXONVGL-UPIRYGIPSA-N", "SMILES:C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CCOC(=O)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4873654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWLCUNDXYKDDOQ-KBARCFKISA-N", "SMILES:C[C@@H](C(=O)O)[C@H]1Cc2c(c(O)c3ccccc3c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STKYFFCPJZIQQP-IHHYUWNCSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1cccc(OC)c1)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATICQYIHHLBUDR-GEACRMADSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1cccc(F)c1)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHPPDUFXXZZSP-GEACRMADSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1ccc(Cl)cc1)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJGOPYSJNVAKP-MEKFFGMDSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1cc(C)ccn1)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXQAIAQXXOBEU-MSUXBGQESA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1ncccc1OC)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGQXGYHXRUXQJK-BOICWXTRSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1cccc(C)c1)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQXAFCPVGLGDAE-GEACRMADSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1ccc(F)cc1)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWUEABBMHYOFT-KKSKVDGPSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1c(C)cc(OC)cc1C)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLVNLULCIKZGB-MEKFFGMDSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1ncccc1C)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DROCWMWZZWRCLT-ZWYCIRNOSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1ncc(C)cc1C)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFQISIUNRAFIW-BGHUINJVSA-N", "SMILES:C/C=C1\\[C@H]2C=C(C)C[C@]1(Nc1ccc(OC)cn1)c1ccc(=O)[nH]c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXFGIUPNRLVHBP-UHFFFAOYSA-N", "SMILES:Cc1c(CO)c(CO)c2c3cc4ccccc4cc3c(N(C)C)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKXKZGJJQQVFM-UHFFFAOYSA-N", "SMILES:Cc1c(CO)c(CO)c2c3cc4ccccc4cc3c(N3CCCC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQCXLUNOPQPYFK-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(NC(CO)c4ccccc4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQCXLUNOPQPYFK-IBGZPJMESA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(N[C@@H](CO)c4ccccc4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RASWQTYRURGDRW-IBGZPJMESA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(N[C@@H](CO)c4ccc(F)cc4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKXBNFWRQLNUFV-IBGZPJMESA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(N[C@@H](CO)c4cccc(F)c4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMINUZUMUXWKI-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cncc(NC4CCCC(O)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHDGEOLPEYTGCG-FQEVSTJZSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3Cl)cc12"]}
{"name": "Ribosomal protein S6 kinase alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL5528"], "id": "UniProtKB:Q63531", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHVJXWGWXRONK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(N2C(=O)OC(C)(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSEPOARQUIEBAT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(N2C(=O)OC(C(C)C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZBLZVGUYLAGL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(N2C(=O)OC(CCC)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJAVENUWIZUEQO-UHFFFAOYSA-N", "SMILES:CC(C)CCN1C(=O)OC(C(C)C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONSKLMDQAPPMQG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(N2C(=O)OC(C(C)C)c3cnc(Nc4cc(F)c(O)c(F)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHONHLOGLNYCP-UHFFFAOYSA-N", "SMILES:CC(C)CCN1C(=O)OC(C(C)C)c2cnc(Nc3ccc(O)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAHNZDGABWTKJF-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CC2)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBIVKMHKMKLGEE-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCC2)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKIWNIFILVQHOB-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNBYMQBPOKSSI-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCCCC2)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OURZILKNIZGDQN-UHFFFAOYSA-N", "SMILES:CC1CCCC(N2C(=O)OC(C(C)C)c3cnc(Nc4cc(F)c(O)c(F)c4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDIYZYXANZOZEV-UHFFFAOYSA-N", "SMILES:CC1CCC(N2C(=O)OC(C(C)C)c3cnc(Nc4cc(F)c(O)c(F)c4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCVNFOAUEOSFGM-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCOC2)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVJQNOSEDDHLU-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(Nc2ncc3c(n2)N(CCC(C)C)C(=O)OC3C(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSVFBVIPBGBAEI-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUQMATMEVQEOIT-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDRBAWVQKUGQAM-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3ccc(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVPPZIPRIVLHJS-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3cc(F)cc(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBEINDWCXOOHTG-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3cc(Cl)c(O)c(Cl)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHLFTZXMXCRJNL-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3ccc(O)c(Cl)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUIZWIAJWSFYME-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3cc(F)c(F)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJUKAMPIGXJGM-UHFFFAOYSA-N", "SMILES:CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3cc(F)c(C(F)(F)F)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYWYOQHPOFTFE-UHFFFAOYSA-N", "SMILES:CCC(CC)C1OC(=O)N(C2CCCC2)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKKOPAIRCPQCOP-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Oc3cccc4ccccc34)ccc2[nH]1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJVZYUUDCRDXQO-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Oc3cccc4ccccc34)ccc2[nH]1)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMPLMANRSBOML-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Oc3ccc4ccccc4c3)c(Cl)cc2[nH]1)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWMULTFSOOKLFT-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Oc3ccc4ccccc4c3)ccc2[nH]1)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNCEIGKANZROS-SKXFTCKDSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(=O)N[C@H](C(N)=O)C1CCCCC1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXRGXGHFPYWDG-QGBCWPEESA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(=O)NCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVEMOQCRCUFKLH-ACHIHNKUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)NCc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXYVGHYAVOUACE-CYZFJQDBSA-N", "SMILES:CCC(C)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSAAYUXWUJIVJD-JHOUSYSJSA-N", "SMILES:NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](Cc1ccc(N)cc1)C(=O)NCc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYXYMIMWWLVKL-VXKWHMMOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPECLEXKOOGLCU-CPCREDONSA-N", "SMILES:NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C1CCCCC1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPAIMFHSFJGCZ-KYJUHHDHSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBTAENOLNWEXPJ-AGSXMJPOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXEBWVUUYCABKE-NSOVKSMOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLXOAEPFIMYULL-VMPREFPWSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPECLEXKOOGLCU-DCMFLLSESA-N", "SMILES:NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](C(N)=O)C1CCCCC1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPECLEXKOOGLCU-OWHBQTKESA-N", "SMILES:NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](C(N)=O)C1CCCCC1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBEJTKYFDCEJRQ-ZMWLRIRSSA-N", "SMILES:N=C(N)Nc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc2)C(=O)N[C@@H](C(N)=O)c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQGCMEZMOMITNW-PQRPKFJBSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFILJVMGCLLRPV-YTCPBCGMSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVAXGTZPIPYHR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3cc(N)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSEZXJYIVBNFOY-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc2c(-c3cnn(C)c3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVQVOWWLKGYVQW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3cc(Nc4ccccc4)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIXKDRYQDMPECX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3cc(Br)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBQTVWCBJXALKO-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3cc(-c4ccccc4)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPKBJHLWMQVGC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3ccc(N)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGKZDJYOCFTRS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3ccc(Nc4ccccc4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAPADMPTPNBJG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3ccc(Br)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCHCFNOTEBJDGE-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3ccc(-c4ccccc4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXLLDCIJIPIAPI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3cc(Cl)c(Br)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENXSCZPYTYDSB-UHFFFAOYSA-N", "SMILES:CNC1CCN(c2ccc3[nH]nc(-c4cnn(C)c4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSSPKVSXNPICV-UHFFFAOYSA-N", "SMILES:CN1CCC(CNc2ccc3[nH]nc(-c4cnn(C)c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEAZRMHTWFXGDO-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc3[nH]nc(-c4cnn(C)c4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPXHZAARMVOMCI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3ccc(NC4CCNC4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPXHZAARMVOMCI-LBPRGKRZSA-N", "SMILES:Cn1cc(-c2n[nH]c3ccc(N[C@H]4CCNC4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPXHZAARMVOMCI-GFCCVEGCSA-N", "SMILES:Cn1cc(-c2n[nH]c3ccc(N[C@@H]4CCNC4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWYOESAMXHEKF-SNVBAGLBSA-N", "SMILES:Cn1cc(-c2n[nH]c3cc(Cl)c(N[C@@H]4CCNC4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXFYHZEYCIVFI-LLVKDONJSA-N", "SMILES:CN1CC[C@@H](Nc2cc3c(-c4cnn(C)c4)n[nH]c3cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVCGSXVSUINDNZ-GFCCVEGCSA-N", "SMILES:Cn1cc(-c2n[nH]c3cc(Cl)c(N[C@@H]4CCN(C5COC5)C4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCOOMBWNODUGF-LLVKDONJSA-N", "SMILES:FC(F)(F)n1cc(-c2n[nH]c3cc(Cl)c(N[C@@H]4CCN(C5COC5)C4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAWPJGIANJOCMB-LLVKDONJSA-N", "SMILES:FCCn1cc(-c2n[nH]c3cc(Cl)c(N[C@@H]4CCNC4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMMHBBIKWZESI-CQSZACIVSA-N", "SMILES:Clc1cc2[nH]nc(-c3cnn(-c4ccccc4)c3)c2cc1N[C@@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHCPZOJESINGK-CQSZACIVSA-N", "SMILES:Fc1ccc(-n2cc(-c3n[nH]c4cc(Cl)c(N[C@@H]5CCNC5)cc34)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNLCHPHYJHDCJ-OAHLLOKOSA-N", "SMILES:N#Cc1ccccc1-n1cc(-c2n[nH]c3cc(Cl)c(N[C@@H]4CCNC4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHJKYCHVYCTAN-OAHLLOKOSA-N", "SMILES:N#Cc1cccc(-n2cc(-c3n[nH]c4cc(Cl)c(N[C@@H]5CCNC5)cc34)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMVBNURHAWPOMV-OAHLLOKOSA-N", "SMILES:N#Cc1ccc(-n2cc(-c3n[nH]c4cc(Cl)c(N[C@@H]5CCNC5)cc34)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWACOSOIVJHKIL-CQSZACIVSA-N", "SMILES:COc1ccc(-n2cc(-c3n[nH]c4cc(Cl)c(N[C@@H]5CCNC5)cc34)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPKMHDRICWTMS-NRFANRHFSA-N", "SMILES:COc1ccc(-n2cc(-c3n[nH]c4cc(Cl)c(N[C@H]5CNCC56CC6)cc34)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXMXYFUYRVGKEH-MRXNPFEDSA-N", "SMILES:COc1ccc(-n2cc(-c3n[nH]c4cc(Cl)c(N[C@@H]5CCN(C6COC6)C5)cc34)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDGIJDCXIEXPF-UHFFFAOYSA-N", "SMILES:Brc1c[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMOUCQGJZDFKP-UHFFFAOYSA-N", "SMILES:Cc1cnc2[nH]ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXRSFHYBIRFJSF-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)=NN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTZVGMWXCFCTA-UHFFFAOYSA-N", "SMILES:Clc1ccnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSWGLJOQFUMFOQ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFXYVXBWMRHIB-UHFFFAOYSA-N", "SMILES:Nc1ccc(Br)c2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWTODSLDHCDLDR-UHFFFAOYSA-N", "SMILES:Clc1ncnc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3246721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFJWRPLBWPDHGV-UHFFFAOYSA-N", "SMILES:Brc1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLUXPZQUXVJNF-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWIWQGNCLKDJZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISEFROSMDUZELK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)n1-c1ccsc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJQJGKMRLQBJP-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDFTZMJWTJLPRE-UHFFFAOYSA-N", "SMILES:CSc1cc(-c2ccc(F)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITJUUTBLPGKSOG-UHFFFAOYSA-N", "SMILES:c1cncc(-c2csc(-c3cccnc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL246393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJIODOACRIRBPB-UHFFFAOYSA-N", "SMILES:Brc1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTPPKDNNECOBGC-UHFFFAOYSA-N", "SMILES:COc1cc2[nH]ncc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMVLRQMJKZIPQ-UHFFFAOYSA-N", "SMILES:Nc1cccc2[nH]nc(Br)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUIMWWYJZRZWDT-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(-c3cccnc3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSAPRQRSPMYCDK-UHFFFAOYSA-O", "SMILES:CC[N+]1(CCCCCCCOc2cc(C)cc(-n3cc(C(=O)Nc4cc(F)cc(F)c4)c(=O)c4ccc(N(C)C)nc43)c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIAVYVSTYWDPBH-UHFFFAOYSA-O", "SMILES:CC[N+]1(CCCCCCCOc2cc(-n3cc(C(=O)Nc4cc(F)cc(F)c4)c(=O)c4ccc(N(C)C)nc43)ccc2C)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJNCZVLDGKCIN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQHFPUNJBKNAA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(OCc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPQMQFZMLUNQRH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(CNc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXZXYZWAQWHBG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIXRDOLMJGXBHH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(=O)Nc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUMFQAXVXTERN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(-c3nc4cc(C)cc(C)c4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSZWDAJGJIATO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(NC(=O)c3ccccc3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKFVSMUQOTCRS-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(NC(=O)c3ccccc3)cncc2-c2cc(Cl)cc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEIGDQLHVNXHKG-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(NC(=O)c3cn4ccccc4n3)cncc2-c2cc(Cl)cc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVGJNYYORPCPG-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)c(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQNWYDMBKIAFK-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1C(=O)Nc1cncc(-c2cc(Cl)cc(Cl)c2)c1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYGPMIBLQNMOM-UHFFFAOYSA-N", "SMILES:Cn1ncc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRKYUHADCVHCH-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJMIVINEWJUHG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(-c3nc4ccccc4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSXCBVWJHNRDN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(-c3nc4cc(C#N)ccc4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSDCAGDWFXMHV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(-c3nc4cc(Cl)ccc4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQKXXCSUAYGIFF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIZPSICVCGBRT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(-c3nc4cc(C)ccc4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJAYZXFBENXPTI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSIHZAYEDUOSFO-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(F)cc(Cl)c3)cncc2-c2nc3cc(F)ccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSZWXLQUXSPHI-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDLHGKHGVXITIC-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXGRVCVZZMPOL-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(-c2cncc(-c3nc4cc(C)ccc4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJXOCKJSJRSPQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cncc(-c3nc4cc(C)ccc4[nH]3)c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXMFLCMJLHVWNN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3ccccc3c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMQUXZNVFUULN-INIZCTEOSA-N", "SMILES:C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGLWGPTTZBOFA-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(CC)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFLBCYZQSNURF-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICNWHAGEHMQKDC-IBGZPJMESA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(CC)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDCPAPOICCETQO-FQEVSTJZSA-N", "SMILES:C=CC(=O)N1CCCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(CC)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTQQJHUUBTTXQX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(c3nc(-c4ccc(C(=O)Nc5cc(CC)ccn5)cc4)c(C(N)=O)n3N)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFXFDPPTXCNXEZ-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(CC)ccn4)cc3)c(C(N)=O)n2N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVKOTDQZUPICDD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cc2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c(C(N)=O)n2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJXWWDSJINEECO-FQEVSTJZSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(CC)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLIIVAROISSRH-IBGZPJMESA-N", "SMILES:C#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(CC)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKWYNPFFOZRLP-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAQJKCHJXIQNPB-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZEAFTQATIOIKV-FQEVSTJZSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C(C)C)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPLAYNPERQXNL-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENAJAQLAALQQB-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEQSTOFMUUMTBH-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNWNXFWBPLQIV-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(Br)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDYOLRJDCQKGB-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(I)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQSYLZOXYQUGAM-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C#N)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIZIQUFUGUEWKY-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEBNPSPZRJOCNK-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)c(F)cn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXRZKIHWZAXJZ-QHCPKHFHSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccccc4)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXAHUQUDHQPOY-QHCPKHFHSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(F)cc4)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNDRMANPSPBJX-QHCPKHFHSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSKXMMBGZJNNLH-DEOSSOPVSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(C#N)cc4)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHHSDNAJZXRBK-IBGZPJMESA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccc3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHHMDNGEPLFAQ-INIZCTEOSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cccnn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUSSXGWMVELPU-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3nccs3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBDPYOGJKVWVHO-SFHVURJKSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGIHMFDYIKUOSS-IBGZPJMESA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYCJOGQWPKILL-IBGZPJMESA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSHSIMWQUCCRE-IBGZPJMESA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOAPJKUJUHGWJN-SFHVURJKSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTPDURZXVRYRW-SFHVURJKSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(Br)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUNGXOSUGLQJY-SFHVURJKSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(I)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNLBBVCFXAXIV-IBGZPJMESA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C#N)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGPLVKHFTDOSOG-SFHVURJKSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHUWNCIMWYRTIU-IBGZPJMESA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)c(F)cn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDYQGXDLDYYRDX-DEOSSOPVSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccccc4)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHNFAXONRPKPAO-DEOSSOPVSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(F)cc4)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYVTHTZQDRVMD-DEOSSOPVSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCXMFYRFOBWQT-VWLOTQADSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(C#N)cc4)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBORKHXFAYCEX-KRWDZBQOSA-N", "SMILES:CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cccnn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQSWMXLJJHFYGS-KRWDZBQOSA-N", "SMILES:CCC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c(C(N)=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UROOBKLEBIHDNY-IBGZPJMESA-N", "SMILES:C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c(C(=O)OCC)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOZMISVXTOAAHE-UHFFFAOYSA-N", "SMILES:Nc1c(-c2nc3cc(N4CCN(C(=O)CCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)ccc3[nH]2)c(=O)[nH]c2cccc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGCDHXTWFWAJI-UHFFFAOYSA-N", "SMILES:Nc1c(-c2nc3cc(N4CCN(C(=O)CCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)ccc3[nH]2)c(=O)[nH]c2cccc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBGZSGUKFWXMX-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(NCCCCCC(=O)N4CCN(c5ccc6[nH]c(-c7c(N)c8c(F)cccc8[nH]c7=O)nc6c5)CC4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1992306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFTZMAAMCVPJJT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDDLGNOZDKDSEG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFOWTGKMZRYQED-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccncn2)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIUIYYXTYIIFDX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccnc3ccccc23)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBGUFUJBJDNCPS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ncnc3ccccc23)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQKJYEGULARCAH-UHFFFAOYSA-N", "SMILES:COc1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRKCCBOVUKMTIE-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHIHRICEWVAMHY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNIURWEBLRATC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ncnc3[nH]ccc23)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWVXRWLWOVZNH-UHFFFAOYSA-N", "SMILES:CNc1nccc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUOIOAHDJBTFGF-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKRLFMBOPHBOL-UHFFFAOYSA-N", "SMILES:Nc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAPJNGZFHIACFJ-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SALXPUHKMSBHEK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cc(O)ncn2)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKUFHJAWCSTNE-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEWVEBUWAKAFT-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZYEFVKTLWOOP-UHFFFAOYSA-N", "SMILES:CCNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQRDHAEHIKCIG-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KICQFMWQIMWJTM-UHFFFAOYSA-N", "SMILES:CCCNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHHKKIFOCYZSOY-UHFFFAOYSA-N", "SMILES:CC(C)CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFILTDUVSIVKNP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cc(NCCO)ncn2)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJLMFKZIJWAPL-CYBMUJFWSA-N", "SMILES:C[C@@H](O)CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJLMFKZIJWAPL-ZDUSSCGKSA-N", "SMILES:C[C@H](O)CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXBSLZLNIUZIQJ-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIXJIOOQSSSYGU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCTNXTNPSNLYBZ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(Nc2cc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFUZHKHPUYRJZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cc(Nc3cccc(CN4CCCC4)c3)ncn2)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVMNZOQYOMPJPV-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMQKURDHYXGPG-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTYCNYCVNOPGO-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(CF)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNTAIBDOCLMZCM-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJUSMFQKFHWCSX-UHFFFAOYSA-N", "SMILES:CCc1cccc(NC(=O)Nc2ccc(Oc3cc(NC)ncn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAIIHZVEJPNISD-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(C)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KERBJUHOPWFOPV-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(C)(F)F)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIIQKZPELCBJKV-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(C)(C)C)c3)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLXULKETFKWBZ-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2F)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTOJSGZOBTVNY-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c(F)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTFYNVSEHUSYCW-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c(F)c2F)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMKQZCYHBFLDF-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFOOSTYYGDXTKA-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc23)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKMQRLZTWIHHCA-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2c(C)cc(NC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc23)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRYZOIOCJCFQT-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2C)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FECAKHQZOGVGGX-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2c(C)cc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2C)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEOWFEBVIKGTDJ-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2cc(C)c(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2C)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQADIYOLOHRAW-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQZHACPWDPHMKC-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2c(F)cc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2F)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIKXUOEORFVSB-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2c(C)cc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDNWDLAKWPSAY-UHFFFAOYSA-N", "SMILES:CCc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Oc1cc(NC)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUSROMRPOFFTMX-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDGERSSZUMLBI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXWVECCRZQYPO-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2ccccc2n1"]}
{"name": "Serine/threonine-protein kinase TNNI3K", "xref": ["CHEMBL.TARGET:CHEMBL4879467"], "id": "UniProtKB:Q5GIG6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFIGJOQOUHVEK-HANJPJGVSA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)C(C)Nc1ccc(C)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNIFVMRORLIQKP-YLSRMWDOSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNCMJDXTIUUJQ-OYFMYTKGSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVUALANAPWYEJ-NNPJTBSKSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOQLTRRICPBYAD-NNPJTBSKSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCIHHBJRPHRAO-DZUHKJHCSA-N", "SMILES:CCC[C@H](NC[C@@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNGMVFMQCYAIT-FGDAERKFSA-N", "SMILES:CCC[C@H](NC[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOHXZJJGIWTBG-GENGZILNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@@H](C)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEDEUXLNHZIKZ-JSDGYEMZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CNc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOHXZJJGIWTBG-IWOBCLMRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)[C@@H](C)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEDEUXLNHZIKZ-AAMRELFESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPKMEWKRROFVKM-RAAIGAAGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJDQOTIHOMBSAP-NJZGUUJFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVCTSBBSMEKKP-ODVOAZLPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJLVEDZUWXKMG-JLFJFYKSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHUPASWSZQNJO-ZEOIWUETSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDQLIPWMAUVTNL-ZEOIWUETSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWGJQLSGPHRFH-HARCJINFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQMRRVVMNQPPEI-WZFTTZIHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(CCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKJWWXJELUVCC-VOWOISSNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C(C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEEPXWSCXVEGKU-BRCBRZHNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C(C)(C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJYJTOFALYACMV-AAMRELFESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLUOSPYABXKTL-ZEOIWUETSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZWDZCQSKZTPF-HARCJINFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGANYRJMHXJGOI-UIEKRSGCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCZMLHIMXMNNY-BITPWIMXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHWKACYDEUTABY-UIEKRSGCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cc(C)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNWJDDFFBWWKV-OFCXANMWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRZYSPWIDHHOMY-SCTYKFJQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc2c(c1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKKBNARBCHAMU-RAAIGAAGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDZNXZCJNMAGP-AAMRELFESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZXNBSBKNIVRU-ONKNPGDHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNC1CCCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDNQONLGXOZRG-DFCKQENNSA-N", "SMILES:CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)[C@]2(CC[C@@H](OC)CC2)C3)c1"]}
{"name": "Lysosomal protective protein", "xref": ["CHEMBL.TARGET:CHEMBL6115"], "id": "UniProtKB:P10619", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPAMBRAQUNXEJ-VXTQKIMSSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)OC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPAMBRAQUNXEJ-NBPWHCCWSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)OC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZZUCOVCRWYQD-ARQAEGQQSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)CC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZZUCOVCRWYQD-GZGIXZNCSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)CC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCKNLOKSQOISR-DZGPLGQMSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(C[C@H](NCCCc2ccccc2)C(=O)CC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCKNLOKSQOISR-BRNDBFICSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(C[C@H](NCCCc2ccccc2)C(=O)CC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUDIWOGCRNFAE-ARQAEGQQSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(C[C@H](NC(=O)CCc2ccccc2)C(=O)OC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUDIWOGCRNFAE-GZGIXZNCSA-N", "SMILES:CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(C[C@H](NC(=O)CCc2ccccc2)C(=O)OC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540843", "category": ["biolink:ChemicalEntity"], "name": "PANCREATIC POLYPEPTIDE", "xref": ["InChIKey:HFDKKNHCYWNNNQ-YOGANYHLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O"], "synonym": ["Human pancreatic polypeptide", "Pancreatic hormone iii", "Pancreatic polypeptide", "Pancreatic polypeptide (human)", "Pancreatic polypeptide human"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYUDOPVEMCACJG-LBBUGJAGSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLVBPSCWUQIUTJ-JTXVVRDHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFJMZPLMDARIZ-JVACCQEYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFHHXSZNNSMYFH-PEAOEFARSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNCGOHCYSORPG-BGBFCPIGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRFROEUEVCIDOO-BGBFCPIGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YILKWIHJBDBPGT-QKUYTOGTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCDYUYFYHWGEC-QKUYTOGTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZJIPUXBBMCZCH-UNHORJANSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNXLQDLWSXFSU-UNHORJANSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIFYGPPLHVPKOD-SKGSPYGFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWAKKCWEACOQW-SKGSPYGFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJZDUXVKFPZDJ-WGXSSYHUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)NC(=O)NCCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBAUBHSESZYDCK-WGXSSYHUSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CCC(=O)NCCCCNC(=O)NC(=N)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUUPHEADJNWDNN-JPRYDEJLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCDNOARRGBFSU-JPRYDEJLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCNC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBRHKRVQGIMIIY-KHVQSSSXSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)NC(=O)NCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVPOEVMKIHXBX-KHVQSSSXSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CCC(=O)NCCCNC(=O)NC(=N)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQOUWMFSIQFNW-JPRYDEJLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)NC(=O)NCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAIZTRAAUSPLQL-JPRYDEJLSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)NCCCNC(=O)NC(=N)NCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNZNJSNITSGMNY-UHFFFAOYSA-N", "SMILES:COCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2c(-c3ccccc3)nc3c(C)nccn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSJHXKOMHWRLNV-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CC1CNCCCCOc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJVECFOFDNLOZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEUWXRKGMNJLQY-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CC1CNCCCOc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSJEHNHUDFZIE-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CC1CNCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPLIPKULMVANPA-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CC1CNCCCCCOc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHYIIELOMOENPF-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CC1CNCCCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRFNDHKXJPAPGT-SNAWJCMRSA-N", "SMILES:COc1ccccc1C1CC1CNC/C=C/COc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPWJEOXRYREVNQ-SNAWJCMRSA-N", "SMILES:COc1ccccc1C1CC1CNC/C=C/COc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYFBVQGIPPIPJ-WSUVESLISA-N", "SMILES:COc1ccccc1C1CC1CNCC[C@H]1CC[C@H](NC(=O)N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFZXCNYEMUTWJM-JUWDIMJDSA-N", "SMILES:COc1ccccc1C1CC1CNCC[C@H]1CC[C@H](NC(=O)N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKNTMORPLZKRM-ZDTPOGPSSA-N", "SMILES:COc1ccccc1C1CC1CNCC[C@H]1CC[C@H](NC(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBTSCAZNUBZVQW-YURCPOFCSA-N", "SMILES:COc1ccccc1C1CC1CNCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFYZGXPIOVYJOV-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(OCCCCNCC3CC3c3cccc(Cl)c3Cl)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIILLLQCAOPSPC-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCCNCC3CC3c3cccc(Cl)c3Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDJWOAQVNGSEK-UHFFFAOYSA-N", "SMILES:CN(CCCCOc1ccc2c(c1)NC(=O)CC2)CC1CC1c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSXVNRDDXPNSDP-UHFFFAOYSA-N", "SMILES:CCCN(CCCCOc1ccc2ccc(=O)[nH]c2c1)CC1CC1c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTXMNZRNGSFCU-PYVLAARDSA-N", "SMILES:CN(C)C(=O)N[C@H]1CC[C@H](CCNCC2CC2c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEFKQCVWZLAVCM-UHFFFAOYSA-N", "SMILES:CSc1ccccc1C1CC1CNCCCCOc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXGOLDWNFWPLKN-UHFFFAOYSA-N", "SMILES:CSc1ccccc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLJNPGRJXOJPX-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(OCCCCNCC3CC3c3cccc4c3OCCO4)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENYPQKJOPZPRI-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCCNCC3CC3c3cccc4c3OCCO4)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEHRTNAVGHOGK-WSUVESLISA-N", "SMILES:CN(C)C(=O)N[C@H]1CC[C@H](CCNCC2CC2c2cccc3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZIJHQWKYKVRCI-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(OCCCCNCC3CC3c3cccc4ccccc34)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPICFYYJZAROHJ-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCCNCC3CC3c3cccc4ccccc34)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHASGYIIIJIUCC-SUFHFGBBSA-N", "SMILES:CN(C)C(=O)N[C@H]1CC[C@H](CCNCC2CC2c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFGFZIDXGSOSHZ-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1C1CC1CNCCCCOc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRNXSYVAAEIGF-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQEQCBRZPJAUNY-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1C1CC1CNCCCOc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSCSKUGXORHGO-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1C1CC1CNCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODRELZHCYHJFT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1C1CC1CNCCCCOc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLBHXUMEHKLNDW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNLICHOLYZKSFL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SREQHVVABVWCKT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1C1CC1CNCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDWXYNACAUCTC-UHFFFAOYSA-N", "SMILES:CCN(CCCCOc1ccc2c(c1)NC(=O)CC2)CC1CC1c1cc(F)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIXWMGVKJCJKNE-UHFFFAOYSA-N", "SMILES:CCN(CCCOc1ccc2c(c1)NC(=O)CC2)CC1CC1c1cc(F)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWYCVLTQSVHRD-UHFFFAOYSA-N", "SMILES:CCN(CCCCOc1ccc2c(c1)NC(=O)CC2)CC1CC1c1cc(Cl)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKIBUPWYLOJVHV-UHFFFAOYSA-N", "SMILES:CCN(CCCOc1ccc2c(c1)NC(=O)CC2)CC1CC1c1cc(Cl)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRNXSYVAAEIGF-XLIONFOSSA-N", "SMILES:COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRNXSYVAAEIGF-FXAWDEMLSA-N", "SMILES:COc1ccc(F)cc1[C@@H]1C[C@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSCSKUGXORHGO-APWZRJJASA-N", "SMILES:COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSCSKUGXORHGO-QFBILLFUSA-N", "SMILES:COc1ccc(F)cc1[C@@H]1C[C@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODRELZHCYHJFT-XLIONFOSSA-N", "SMILES:COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLBHXUMEHKLNDW-FXAWDEMLSA-N", "SMILES:COc1ccc(Cl)cc1[C@@H]1C[C@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SREQHVVABVWCKT-APWZRJJASA-N", "SMILES:COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SREQHVVABVWCKT-QFBILLFUSA-N", "SMILES:COc1ccc(Cl)cc1[C@@H]1C[C@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHSQTJRJQHPJRQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(N)cn1"]}
{"name": "E3 ubiquitin-protein ligase UHRF1", "xref": ["CHEMBL.TARGET:CHEMBL4879407"], "id": "UniProtKB:B6CHA3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8355"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSQQABVJDYESD-IXKJWXHRSA-N", "SMILES:C/C=C/C=C/[C@H]1CO[C@@H](/C=C/[C@H](O)CO)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4861369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWIAHWCHOKAIGH-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBVKYTFESIYABI-JOCQHMNTSA-N", "SMILES:NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPCSJPGLMJDCZ-MGCOHNPYSA-N", "SMILES:CC(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPBREQEYCTWAI-XYPYZODXSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(NC(C)C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNQLQDZACRVRIW-YIYPIFLZSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@@H]3CCC[C@H](O)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNQLQDZACRVRIW-AAVRWANBSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@@H]3CCC[C@@H](O)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNQLQDZACRVRIW-XUXIUFHCSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@H]3CCC[C@H](O)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNQLQDZACRVRIW-FQUUOJAGSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@H]3CCC[C@@H](O)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWZIEOGNLHMEX-MGCOHNPYSA-N", "SMILES:CC(C)(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRUBRQUHIORGIW-QQRXUOGYSA-N", "SMILES:NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWCZONGEZBLWJC-OUBLUOKUSA-N", "SMILES:NC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAAFPELODWNTEY-CKYFFXLPSA-N", "SMILES:C[C@@H]1CC[C@@H](Nc2nc(NC3(C)CC3)ncc2C(N)=O)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847106", "category": ["biolink:ChemicalEntity"], "name": "CC-90001", "xref": ["InChIKey:QBBRJRLJWXRSHQ-CKYFFXLPSA-N", "SMILES:C[C@@H]1CC[C@@H](Nc2nc(NC(C)(C)C)ncc2C(N)=O)C[C@H]1O"], "synonym": ["Cc-90001", "CC90001"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFCNCYVBQYWBKK-TUVASFSCSA-N", "SMILES:CO[C@H]1CCC[C@@H](Nc2nc(N[C@H]3CC[C@H](OC)CC3)ncc2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVUNGPQTHUTIIF-QHSBEEBCSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@@H]3CCCC[C@H]3O)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJHHRFMZVCRTJP-FORMXFIPSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@@H]3CCC[C@](C)(O)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHGCJXXGIZZDQT-UTGUJQJDSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@@H]3CC[C@@H](C)[C@H](O)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIHCDBUMTASPDF-HAQNSBGRSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(NCCC(C)(C)O)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGGDGQTKJGKBY-APIJFGDWSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@@H]3CCCC[C@H](O)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBJRYHNRBNLHDF-JHJVBQTASA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@@H]3CCCOC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPNKHBPOWMRBSM-JHJVBQTASA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@@H]3CCCC(F)(F)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNCTVMMLBLZLT-XYPYZODXSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(NC(C)(C)C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLEMSCWVMMVCEM-PHFHNXQFSA-N", "SMILES:CO[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(NC34CC(C3)C4)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMDOYGFEHUBLDT-LPWJVIDDSA-N", "SMILES:NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1N[C@@H]1CCC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNQLQDZACRVRIW-OBMAMOENSA-N", "SMILES:[2H]C([2H])([2H])O[C@H]1CC[C@H](Nc2ncc(C(N)=O)c(N[C@@H]3CCC[C@H](O)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCXOEWLQRRVOM-FVCCEPFGSA-N", "SMILES:NC(=O)c1cnc(N[C@H]2CC[C@H](OC(F)F)CC2)nc1N[C@@H]1CCC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAJFDVRFFKFMIA-YIYPIFLZSA-N", "SMILES:NC(=O)c1cnc(N[C@H]2CC[C@H](OCC(F)(F)F)CC2)nc1N[C@@H]1CCC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBXFOEOHNIQXIB-OLZOCXBDSA-N", "SMILES:NC(=O)c1cnc(NC2CCCCC2)nc1N[C@@H]1CCC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWCNYGFYBRYNK-NEPJUHHUSA-N", "SMILES:NC(=O)c1cnc(NC2CCC(F)(F)CC2)nc1N[C@@H]1CCC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBDQLVRTKDEXCP-ZJUUUORDSA-N", "SMILES:CC(C)(C)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEUVAOFRVMSQQN-OUBLUOKUSA-N", "SMILES:NC(=O)c1cnc(NC23CC(C2)C3)nc1N[C@@H]1CCC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCDYRMYSOIVPRS-UHFFFAOYSA-N", "SMILES:CCCN(CC)CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZVJXHUKLKBCQN-UHFFFAOYSA-N", "SMILES:CCCN(CC)CCc1c[nH]c2ccc(F)cc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVKGVQLIZOEIN-UHFFFAOYSA-N", "SMILES:CCN(C)CCc1c[nH]c2ccc(F)cc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFWIRSWWOCUNQ-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3ccc(-c4cnc(N5CCNC(CO)C5)nn4)c(O)c3)cc(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPFQDIMRODOMSK-MRXNPFEDSA-N", "SMILES:Oc1cc(-c2c[nH]nc2F)ccc1-c1cnc(N2CCN[C@@H](C3CC3)C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFYLKGTHBSEFH-UHFFFAOYSA-N", "SMILES:CC1CN(c2ncc(-c3ccc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOVIJVTPPLQKM-UHFFFAOYSA-N", "SMILES:CCC1CN(c2ncc(-c3ccc(-c4cc(F)c5nc(C)cn5c4)cc3O)nn2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRMIMSICNFPHGM-LJQANCHMSA-N", "SMILES:Cc1cn2cc(-c3ccc(-c4cnc(N5CCN[C@@H](C(C)C)C5)nn4)c(O)c3)ncc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPFXECYOGIGZKR-LJQANCHMSA-N", "SMILES:Cn1nc2cc(-c3ccc(-c4cnc(N5CCN[C@@H](C6CC6)C5)nn4)c(O)c3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLTUCLDYJBFCL-XOBRGWDASA-N", "SMILES:Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)F)c3cnnn3CC(F)(F)F)ccc2[nH]1)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUSTKBKRKCQKL-LIRRHRJNSA-N", "SMILES:Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)(F)F)c3cnnn3CC(F)(F)F)ccc2[nH]1)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXISIPGDBSNEQE-JTSKRJEESA-N", "SMILES:Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)(F)F)c3nnc4ccc(C#N)cn34)ccc2[nH]1)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBZDPWWBYQNILC-AOMKIAJQSA-N", "SMILES:Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)F)c3nnc4cnc(C#N)cn34)ccc2[nH]1)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYKHDOHLMCWRRV-AOMKIAJQSA-N", "SMILES:Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)F)c3nnc4ccc(F)cn34)ccc2[nH]1)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDBLAFRBJGYFJE-OSPHWJPCSA-N", "SMILES:Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@@H](CC(F)F)c3cnc4ccc(F)cn34)ccc2[nH]1)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSELLWZFERGIPM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2c(-c3ccccc3)nc(N)n3nc(Cc4ncccc4F)nc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMVMIKHRMKEKHO-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)[nH]c2)c2nc(Cc3ccc(F)cn3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJIKYVGVZVLJJP-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(Cc3ncccc3F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEXNEUQDJNGIW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3c(-c4ccc(=O)n(C)c4)c(-c4ccccc4)nc(N)n3n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXSPZPOZMTADI-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c(-c2ccc(=O)[nH]c2)c2nc(Cc3ncc(F)cc3Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXYARKYAYUTGKX-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(CC3CCCO3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBQNARNDMLPGRK-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)[nH]c2)c2nc(CCC(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZALYOQFYJRNSPA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(CN4CCCCC4)nc23)c[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEYSMJQCPYZLM-HXUWFJFHSA-N", "SMILES:Cn1cc(-c2c(-c3ccccc3)nc(N)n3nc([C@H](O)c4ncccc4F)nc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIREYKBMODCCJ-HXUWFJFHSA-N", "SMILES:Cn1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc([C@H](O)c4ncccc4F)nc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTXZYDIPVAVKCS-UHFFFAOYSA-N", "SMILES:CCn1c(C(O)(c2ccccc2)c2nccs2)nc2nc(OC)c(-c3nnn[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKWZCMEFQGQGL-UHFFFAOYSA-N", "SMILES:CCn1c(C(O)(c2ccccc2)c2cccs2)nc2nc(OC)c(-c3nnn[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWJUGHRFXRQCLM-UHFFFAOYSA-N", "SMILES:CCn1c(C(O)(c2ccccc2)c2ncccn2)nc2nc(OC)c(-c3nnn[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVLVRPZRYVSTFH-UHFFFAOYSA-N", "SMILES:CCn1c(C(O)(c2ccccc2)c2ccccn2)nc2nc(OC)c(-c3nnn[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHZYOGPMBDRPR-UHFFFAOYSA-N", "SMILES:CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(OC)c(-c3nnn[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIORGXJUYSQCOG-UHFFFAOYSA-N", "SMILES:CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(OC)c(-c3nnn[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDXOHNKKJPWXGM-ZLNRFVROSA-N", "SMILES:C#CCCCC[C@@H](C)C(=O)NCCCC[C@H]1C(OC)=CC(=O)N1C(=O)[C@H](C)CCCCC#C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL422704", "category": ["biolink:ChemicalEntity"], "name": "CANNABICHROMENE", "xref": ["InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL465718", "category": ["biolink:ChemicalEntity"], "name": "DELTA9-TETRAHYDROCANNABINOLIC ACID A", "xref": ["InChIKey:UCONUSSAWGCZMV-HZPDHXFCSA-N", "SMILES:CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4856045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDOICOTTKBGPW-HIPQBDAFSA-N", "SMILES:CCOP(=O)(/C=C/C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)NC(=O)OCc1ccccc1)c1ccccc1)OCC"]}
{"name": "Heme ligase", "xref": ["CHEMBL.TARGET:CHEMBL4105720"], "id": "UniProtKB:Q8IL04", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NICUQVPQDBOIPE-PMSYGICFSA-N", "SMILES:CCOP(=O)(/C=C/C(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)NC(=O)OCc1ccccc1)c1ccccc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIXVDMTFRVKPR-CQKDAFNJSA-N", "SMILES:CCOP(=O)(/C=C/C(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@@H](O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)CN1C(=O)OCc1ccccc1)c1ccccc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDOICOTTKBGPW-QEKQBXGYSA-N", "SMILES:CCOP(=O)(/C=C/[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)NC(=O)OCc1ccccc1)c1ccccc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDOICOTTKBGPW-NRNVTRHOSA-N", "SMILES:CCOP(=O)(/C=C/[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)NC(=O)OCc1ccccc1)c1ccccc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NICUQVPQDBOIPE-UPHPAZROSA-N", "SMILES:CCOP(=O)(/C=C/[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)NC(=O)OCc1ccccc1)c1ccccc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NICUQVPQDBOIPE-SRPFOAAGSA-N", "SMILES:CCOP(=O)(/C=C/[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)NC(=O)OCc1ccccc1)c1ccccc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIXVDMTFRVKPR-UWLDERFPSA-N", "SMILES:CCOP(=O)(/C=C/[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@@H](O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)CN1C(=O)OCc1ccccc1)c1ccccc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROTGAOVKUXSTCP-UHFFFAOYSA-N", "SMILES:CCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXBGDTQRPFRGCE-UHFFFAOYSA-N", "SMILES:CCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3C)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOMUPPBQAZTNGK-UHFFFAOYSA-N", "SMILES:CCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGVMJRRAQJNWAN-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLUZGJRVXAFKKI-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYXZMFMILEIEM-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3C(F)(F)F)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMEQCPPYMZPAHP-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)c2cc(Cc3ccccn3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPSRDIIVIHYXIY-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)c2cc(Cc3cccnc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUREEGRQNNTRT-UHFFFAOYSA-N", "SMILES:CCCCc1cc2c(O)cc(C3(CCCC)CCCC3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQOBXZDPNLQSO-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(CCC)c(=O)oc3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGIUENZBHQVIH-UHFFFAOYSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3C)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZCDKRUWMUUFK-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(Cc4cccnc4)c(=O)oc3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQLSDHCXDTZEHJ-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(Cc4ccccn4)c(=O)oc3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLASUFDKNSRCV-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(C)c(=O)oc3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDZEIVMUOTRCK-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(CC)c(=O)oc3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEHKCQNYJDYMX-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(CCC)c(=O)oc3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGIDMVFIFMGAK-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(C)c(=O)oc3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZSERDMKCPJAQ-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(CC)c(=O)oc3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSDRKMOWPYPBBK-UHFFFAOYSA-N", "SMILES:CCCCc1cc2c(O)cc(C3(CCCC)CCCCC3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHBABUSHMMJMG-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(OC)c3cc(Cc4ccccn4)c(=O)oc3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFRGHMJYKGNIB-UHFFFAOYSA-N", "SMILES:CCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3C)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDZQLODFPBIBT-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(Cc4ccccn4)c(=O)oc3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRPOEPNUGOBAOB-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(OC)c3cc(Cc4cccnc4)c(=O)oc3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXOFKJAKDHIQR-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(Cc4ccncc4)c(=O)oc3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBSWXPZBBAQBF-UHFFFAOYSA-N", "SMILES:CCCCC1(c2cc(O)c3cc(-c4ccccc4C)c(=O)oc3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECXSYCNRXFRJS-AWEZNQCLSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECXSYCNRXFRJS-CQSZACIVSA-N", "SMILES:CN1C(=S)[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXNPTNHDTLQGFU-PDGNTUSWSA-N", "SMILES:CC(C)(O/N=C(\\C(=O)N[C@H]1CN2CC(C(=O)NCCN3C(=O)c4cc(O)c(O)cc4C3=O)=C(C(=O)O)N2C1=O)c1nc(N)sc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBWOXXNCCSABA-JFLUISNFSA-N", "SMILES:CC(C)(O/N=C(\\C(=O)N[C@H]1CN2CC(C(=O)NCCN3C(=O)c4cc(O)c(O)cc4C3=O)=C(C(=O)O)N2C1=O)c1csc(N)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVSCBXKUDRKNQZ-BINFZLANSA-N", "SMILES:CCCCCCC/C=C/[C@@H]1O[C@@]2(O)C(=O)C=C3C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3[C@@H]2C=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZASMNJAPQGSMC-ATJXCDBQSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C(/CS(=O)(=O)c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXMNNQKTEBVYKD-GFMRDNFCSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C(/CS(=O)(=O)c2ccccc2)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQRNLOFXVRIOQP-GFMRDNFCSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C(/CS(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFSMTAOFCRENAT-GFMRDNFCSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C(/CS(=O)(=O)c2ccccc2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIURORBNBSCAQM-BOPFTXTBSA-N", "SMILES:C/C(=N/NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBPMCGIKFKXCR-ZDLGFXPLSA-N", "SMILES:C/C(=N/NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNDBDRLDKBHMAK-ZDLGFXPLSA-N", "SMILES:C/C(=N/NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLKGFYZOEWCEPU-ZDLGFXPLSA-N", "SMILES:C/C(=N/NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTQYHNHFBXNSN-YBEGLDIGSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C\\c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMARMMVWUYAHQ-MFOYZWKCSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C\\c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPDCMDQHXVCFX-MFOYZWKCSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C\\c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZTXZZEIYEWMD-MFOYZWKCSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C\\c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKBAAUBHYFLBR-ATJXCDBQSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C(/CS(=O)(=O)c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQXLDCJHTCXEGO-GFMRDNFCSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C(/CS(=O)(=O)c2ccccc2)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKEICQQVQJROGA-GFMRDNFCSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C(/CS(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYQUNXKMHBCFKI-ATJXCDBQSA-N", "SMILES:O=C(O)c1ccc(N/N=C(/CS(=O)(=O)c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUMIIPIZWTRRX-BSYVCWPDSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C(\\C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROTDUQXCMDMKIU-HMMYKYKNSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C(\\C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHBDYSFTOQXJQ-XSFVSMFZSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C(\\C(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYUBZPVFKHTJLG-XSFVSMFZSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C(\\C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUGGQEDMUHVUJO-GFMRDNFCSA-N", "SMILES:O=C(O)c1ccc(N/N=C(/CS(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMIOPMXBAJQACL-XSFVSMFZSA-N", "SMILES:O=C(O)c1ccc(N/C=C(\\C(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBKBMHBXNHDRC-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(C)(=O)=O)c2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJSBJXKBTALUDR-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2ccc(NS(C)(=O)=O)cc2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNUYDQTVYLYPAB-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(=O)(=O)c3ccccc3)c2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLMXLANMGYYRQ-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBUNROIHJUCTE-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTNUTHCBFOXROM-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNMJVABJWFAHD-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(=O)(=O)c3cccs3)c2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRKCCBYSJYDPN-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUQBJVDJEMRFSF-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZROEXTUCKFNMV-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NC(=O)c3ccccc3)c2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBGLRFZQODJKQ-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2ccc(NC(=O)c3ccccc3)cc2)oc(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHCUDQJGLXBUNA-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(C)(=O)=O)c2)oc(=O)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLZOPXOVGCQDBB-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2ccc(NS(C)(=O)=O)cc2)oc(=O)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKNBKIVITWAQN-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(=O)(=O)c3ccccc3)c2)oc(=O)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORWHBBLFQJQJK-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(=O)(=O)c3cccs3)c2)oc(=O)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWVCJBBRJODJSW-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(C)(=O)=O)c2)oc(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYWRIZUSQCJDHQ-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(=O)(=O)c3ccccc3)c2)oc(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVSCGUPGHCGRA-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)oc(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUPOTCTMFJRIE-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)oc(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGJBKHONPOEAO-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)oc(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOVDTTBOHKOABC-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NS(=O)(=O)c3cccs3)c2)oc(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFBUWRZZQXAJH-UHFFFAOYSA-N", "SMILES:C=CCc1c(-c2cccc(NC(=O)c3ccccc3)c2)oc(=O)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMMXGNQSGBKGHD-UHFFFAOYSA-N", "SMILES:CN1CC(=O)N(Cc2ccc(C(=O)NO)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJYEMZWRYNXCA-UHFFFAOYSA-N", "SMILES:CCCN1CC(=O)N(Cc2ccc(C(=O)NO)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJJWRRDPZIIOP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)CN(Cc3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUKDPGEHLTXFM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLSYKRTPPGWKZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CC(=O)N(Cc3ccc(C(=O)NO)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGACOWVCVRMJGP-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CC(=O)N(Cc3ccc(C(=O)NO)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNDQYONEHSWAJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CN2CC(=O)N(Cc3ccc(C(=O)NO)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSTAEXMWSWHLDP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)CN(CCc3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PERHPJJPWXBLRJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2ccccc2c1N1CC(=O)N(Cc2ccc(C(=O)NO)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDLZGHWVDQXSPU-UHFFFAOYSA-N", "SMILES:CC1(c2ccccc2)NC(=O)N(Cc2ccc(C(=O)NO)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USKGAOJIWZYNCF-UHFFFAOYSA-N", "SMILES:CCCC1(c2ccccc2)NC(=O)N(Cc2ccc(C(=O)NO)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HROGTKPATVOLHY-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGNSJPSTQRDKP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)NC(Cc3ccc(Cl)cc3)(c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXUBNMCAERYYQX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC2(c3ccccc3)NC(=O)N(Cc3ccc(C(=O)NO)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHHLWJPBDCASU-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2(c3ccccc3)NC(=O)N(Cc3ccc(C(=O)NO)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRZJSRCEMGZTPE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CC2(c3ccccc3)NC(=O)N(Cc3ccc(C(=O)NO)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMEUMVBCOPISGQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)NC(CCc3ccccc3)(c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKVUUNPFINFHE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)NC(Cc3cccc4ccccc34)(c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOWLCCEKVJOOH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)NC(Cc3ccc4ccccc4c3)(c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUCFOMPRMEEPS-UHFFFAOYSA-N", "SMILES:CN1C(=O)N(Cc2ccc(C(=O)NO)cc2)C(=O)C1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGZGTDNFFJVALJ-UHFFFAOYSA-N", "SMILES:CCCN1C(=O)N(Cc2ccc(C(=O)NO)cc2)C(=O)C1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNKAMNCUBRMIO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBOZNXCGZWEQI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3ccc(Cl)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAXHFBCCRJABOU-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2C(=O)N(Cc3ccc(C(=O)NO)cc3)C(=O)C2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGQHDOWYWNUEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2C(=O)N(Cc3ccc(C(=O)NO)cc3)C(=O)C2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIGLLWANMNVZAY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CN2C(=O)N(Cc3ccc(C(=O)NO)cc3)C(=O)C2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPYDRSDWRMEEE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)C(Cc3ccccc3)N(CCc3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYRZBUXUGZCVGU-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3cccc4ccccc34)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VASIJDVKPALGMR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3ccc4ccccc4c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQHJPVWXIDHSZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3ccccn3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZLFJKZKCHAKGJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3cccnc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKIODFFRNXGBKM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3ccncc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDRWNINLPZGMI-UHFFFAOYSA-N", "SMILES:CC(C)CC1C(=O)N(Cc2ccc(C(=O)NO)cc2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMXPQVQTIQBDW-UHFFFAOYSA-N", "SMILES:CCCN1C(=O)N(Cc2ccc(C(=O)NO)cc2)C(=O)C1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMOUFHRAZEVTP-UHFFFAOYSA-N", "SMILES:CC(C)CC1C(=O)N(Cc2ccc(C(=O)NO)cc2)C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACPSCZAVPAEID-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(-c2cc(NC(=O)CCCCCCC(=O)NO)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTEMESDVXOTAOF-HALDCQEFSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CC(=O)NCCCC[C@@H](C(=O)NC(Cc2cnc[nH]2)C(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCPMSHDTSCGKE-ZNMDLNINSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CC(=O)NCCCC[C@@H](C(=O)NC(Cc2cnc[nH]2)C(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFAWWGRLBTGFS-GIEVMVCRSA-N", "SMILES:CC(=O)NCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDMXMWUEDLEMIB-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(Br)c(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOWUHOBTRJKJR-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(Cl)c(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRGNMDUTGDZIX-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(I)cc1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGHORBJDHWNWQJ-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(Cl)cc1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAEJWAJUFOTUFW-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(I)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCMIVKXXXJRAP-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1cccc(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVXOWHNTGFAGMZ-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(Cl)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNMCQTKGRBOOGM-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPVSQRPGBUFKM-SAPNQHFASA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGISFVXORKSSX-SAPNQHFASA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUFARVNZZTYCS-NBVRZTHBSA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSBSFXRVVMCVOG-NBVRZTHBSA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(Br)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHPBECDJKSNKHX-NBVRZTHBSA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTJJWSIMJSKNY-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(Br)cc1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IULWMQAPSSEMTN-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(Br)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHSMETCYLLJGJI-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1cccc(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOUAPYFRKLFHO-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccccc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4861511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPABBRYQVLRQX-SAPNQHFASA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPEXICLECUEGIA-SAPNQHFASA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJYUZHZAFVVOU-NBVRZTHBSA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMADFINIDMHLKH-NBVRZTHBSA-N", "SMILES:COCCCC/C(=N\\OCCN)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEQIGTWNCYKBKZ-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccc(Cl)c(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQWOOKZKFBMBCD-UHFFFAOYSA-N", "SMILES:c1ccc(OC2CC3CCC(C2)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PINLVKIYQOFNGC-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCC2CC(O)C1N2c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZXUNLRDTLQODP-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCC2CC(O)C1N2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUQHQIXAXZDZPW-UHFFFAOYSA-N", "SMILES:Clc1ccc(OC2CC3CCC(C2)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJARUPLPSANRD-UHFFFAOYSA-N", "SMILES:Clc1cccc(OC2CC3CCC(C2)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWXDPDEDHUUJV-UHFFFAOYSA-N", "SMILES:Clc1ccccc1OC1CC2CCC(C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SESIBYYWBYIMLH-YOEHRIQHSA-N", "SMILES:Brc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJZMYVXPMNDRFP-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFTUCRCRTXBMD-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYSMMQZXRFHBRJ-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVICSSJGKUUXON-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHIGGGHULTYHGO-UHFFFAOYSA-N", "SMILES:CCOc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONPQXGGULWGJJ-UHFFFAOYSA-N", "SMILES:CCOc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSKVUJXPQHZEZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)c2ccc(F)cc2)ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIIVECVWYBNFRA-NYYWCZLTSA-N", "SMILES:C/C(=C\\Cc1ccc(=O)c(O)cc1C(C)C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHQWPYUKGRNMBA-UHFFFAOYSA-N", "SMILES:Cc1nc2oc(-c3ccccc3)nn2c(=O)c1CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWKWVHJLGYKKX-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCc3c(C)nc4oc(-c5ccccc5)nn4c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCUBQFWCZOGWKP-UHFFFAOYSA-N", "SMILES:Cc1nc2oc(-c3ccc(Cl)cc3)nn2c(=O)c1CCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBLYHKCONKUCO-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCc3c(C)nc4oc(-c5ccc(Cl)cc5)nn4c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXNSOCSOICRZFQ-LORPQTTHSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKPZAQIMYWIPS-ARUMTCIYSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)NC(CCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAAJEKAMQCTDME-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(NCCOc3ccccc3)nc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNFLFRVPRLDOF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(NCCOc3ccccc3)nc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHZYOGCVQJTHA-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2nc(NCCOc3ccccc3)nc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKEAFKZFOCGOAS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOILYSMNUXEII-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFNPZJVSOAQRNG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIXNPZGGZDVLA-UHFFFAOYSA-N", "SMILES:Cl.O=c1ccc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTXRNJPOAXRRDY-UHFFFAOYSA-N", "SMILES:Cl.O=c1ccc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHNVSOFKPBDKJS-UHFFFAOYSA-N", "SMILES:Cl.O=c1ccc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHFLQEPXLHAILZ-UHFFFAOYSA-N", "SMILES:Cl.O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKZOIPHSHYWHJ-UHFFFAOYSA-N", "SMILES:COc1cc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSUXBLOIHCQGQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBISKCHFYQWSOC-UHFFFAOYSA-N", "SMILES:COc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSBFLHMTYZRIP-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHPRIKPAIUAAA-UHFFFAOYSA-N", "SMILES:CC(CCc1cccc(F)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNOAVGKKYYRHPE-UHFFFAOYSA-N", "SMILES:CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXUXPJMAQCZLAG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXXNZANWNPWQOK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQSYBUOOQQRRI-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFNQOMACOFGOX-UHFFFAOYSA-N", "SMILES:CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCCZJRQKBGOFV-UHFFFAOYSA-N", "SMILES:CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQMDRJMSUREPT-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQAMAZKCVUBJNN-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARLLDQOFNQUDTP-UHFFFAOYSA-N", "SMILES:COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTKRSABNJNLJSC-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQDQAANREQWFDJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQRKMSCIAUNPSR-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMFNNXPXCGWCJX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVDISMFRJAUDI-UHFFFAOYSA-N", "SMILES:CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKPGNJBEBKKRR-UHFFFAOYSA-N", "SMILES:CC(C)(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXHKYIABGCACH-UHFFFAOYSA-N", "SMILES:CC(C)(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBFLIJNUDFSHO-UHFFFAOYSA-N", "SMILES:CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGVJZVYNLPALON-UHFFFAOYSA-N", "SMILES:CC(C)(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHHGGYTNAEJGG-UHFFFAOYSA-N", "SMILES:CC(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCFJXCGUUODXBP-UHFFFAOYSA-N", "SMILES:CC(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWJJNMSFRCNLFI-UHFFFAOYSA-N", "SMILES:CC(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSUXBLOIHCQGQ-MQZJHDQISA-N", "SMILES:COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVDISMFRJAUDI-FYZYNONXSA-N", "SMILES:CC(C)(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKPGNJBEBKKRR-FYZYNONXSA-N", "SMILES:CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRXZDDEXRQHQD-ATGFXVMCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"name": "Insulin", "xref": ["CHEMBL.TARGET:CHEMBL5881"], "id": "UniProtKB:P01308", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHQFNMJJYCUKGB-GZOXKTOPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOUQIHSDVXPRSY-JYUSDTGZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNCICXGLIMDVQV-SEOGAQNDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRXWYUYJGWUOKF-ZRUHZMMKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPRDVXXBBDXWRJ-NUXQOYNPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVKCGIVDYIPNLH-UACDCKBXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAVGSIPFGURPG-VJJKVCBMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQVGBKERXUTBM-AMYDYORASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXCZBGLICPRBLT-QJOABYQNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUIYMGYFFPQNGS-PQYCFPGQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIXWIQWXBLBLKH-CQVKWLHOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)C(=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBWVQLOARAVQL-IFFWLQTRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFISATUTKJZVKV-IEQFKYATSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITYXJZWKDWBUJR-SUNWZUAOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKCSQPTFXUFQW-GZOXKTOPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNATAFUFKVGQS-QGYJWFBVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPCYYAPFBBTOQ-XDOFHFIFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRKMRTOXDFEGCA-UACDCKBXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)C(=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQWXDHVWZJLTAJ-NWPHKXENSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)C(=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUUQDLHWJYIDBO-PGPLBZSYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBAMGVDUHMLBI-WRKJJXHBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDERDVMBIYGIOI-MEMPIPKGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVQKBZWWDCKPY-KMYWEDOLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLGCNAJXFTUNIO-PRSDABLHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBJIILKETHPFTA-RWMAZCHOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIYAPQMVRSGEGF-UCRNIKETSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMTZODMRPHSBC-MRXNPFEDSA-N", "SMILES:CC1(C)CN(c2cc(C(F)(F)F)cc3cncn23)CC[C@]12NC(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRNKUWABSYXJP-PZJWQNMWSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAPFNEJTKCIVRA-XJQPTBGDSA-N", "SMILES:CC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZFCCDACDZEZSJ-SYMSHFKGSA-N", "SMILES:CC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](c3ccnc4ccc(F)cc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTIYQIPSAGSBP-YESZJQIVSA-N", "SMILES:C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMTZODMRPHSBC-INIZCTEOSA-N", "SMILES:CC1(C)CN(c2cc(C(F)(F)F)cc3cncn23)CC[C@@]12NC(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXPPQPDGOMVPD-DLUQMEGRSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@@H]2C[C@@H](Oc3ccnc4ccccc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086143", "category": ["biolink:ChemicalEntity"], "name": "PF-06840003", "xref": ["InChIKey:MXKLDYKORJEOPR-UHFFFAOYSA-N", "SMILES:O=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1"], "synonym": ["Pf-06840003", "PF-06840003"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTMRGAAVFAQHTF-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(Cl)cc1)N1CC(COc2ccnc3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRKVRXOWYLHBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N1CCC(CCc2ccnc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXWOWNPOPZQQMP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C1CC12CCC(Oc1ccnc3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXPPQPDGOMVPD-LDFOQBSTSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@H](Oc3ccnc4ccccc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSRFZQGPZIOOI-OKXSXDJOSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@@H]2C[C@@H](Oc3ccnc4ccc(F)cc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSRFZQGPZIOOI-SGAACESYSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@@H]2C[C@H](Oc3ccnc4ccc(F)cc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNQNZOOVNCLJBO-GNGRWXFLSA-N", "SMILES:O=C(NC[C@H]1[C@H]2C[C@H](Oc3ccnc4ccc(F)cc34)C[C@@H]12)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNQNZOOVNCLJBO-DSWCUTRASA-N", "SMILES:O=C(NC[C@@H]1[C@H]2C[C@@H](Oc3ccnc4ccc(F)cc34)C[C@@H]12)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNQNZOOVNCLJBO-LAGDQHSMSA-N", "SMILES:O=C(NC[C@H]1[C@H]2C[C@@H](Oc3ccnc4ccc(F)cc34)C[C@@H]12)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYIUAQGKTYXNMD-NQFLRFLZSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@@H]2C[C@H](Oc3ccnc4cc(F)ccc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHNGHDNBOPCLG-STJUPPKHSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@@H]2C[C@H](Oc3ccnc4cccnc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMKKQCJQKYEIY-BSSRECETSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@@H]2C[C@H](Oc3ccnc4ccncc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZRNNRUIVXYBRQ-CZTHCNFISA-N", "SMILES:CC(NC(=O)c1ccc(C#N)cc1)[C@H]1[C@@H]2C[C@@H](Oc3ncnc4cc(F)ccc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDAEHNHBJFJRG-WPXMVPHTSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](NC(=O)c3cncc(F)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUCBHWFMJSUTB-PXFYCIBDSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cccc(F)c4c3=O)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFQRISFBPLPSJ-UMHCODORSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cc(C4CC4)nn3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRARFWASJVNQSB-ASQHQMJYSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc(C4CC4)n3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWNULWBSCIJVRK-DNCGZWEUSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4ccccc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPVWUDGSNMDJF-PXFYCIBDSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4c(F)cccc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCSOYFHSBECSR-DNCGZWEUSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)ccc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWFVIVYQTUNSR-DNCGZWEUSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4ccc(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNUPGPWBJNYPSC-PXFYCIBDSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cccc(F)c43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGTIZFQOKBYTEW-GZUVAENFSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(C#N)ccc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEYUSXVOFZUXLC-PXFYCIBDSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4c(F)cc(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISFDGSJTOZJQL-PXFYCIBDSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)cc(F)c43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZOPOSMXOHSIV-AUWDFWQESA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4ccc(F)c(F)c43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRNKUWABSYXJP-MNIJKNIISA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKAFISCAIDTHDT-MNIJKNIISA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(Cl)c(Cl)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAZAPNJJLSTVRV-UMHCODORSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4ncccc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPWLJXVUAOISOS-WZAZPGKFSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cnccc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSIIFUJQDUEBF-WZAZPGKFSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4ccncc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQZDFZOXISAAK-UMHCODORSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cccnc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIAEKZOLXVTFR-UMHCODORSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)cnc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODPZRJZWCJGATK-IAZBLINFSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(C#N)cnc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCEWCDQCRWLWQD-IAZBLINFSA-N", "SMILES:CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4ncc(C#N)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCFYWXCYNLGIN-RUPPMWDTSA-N", "SMILES:O=C(NC[C@@H]1[C@H]2C[C@H](n3cnc4cc(F)c(F)cc43)C[C@@H]12)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBZTSFREOOWCL-RPDPBQHOSA-N", "SMILES:Fc1cc2ncn([C@H]3C[C@@H]4[C@@H](CNC(c5ccc(Cl)cc5)C(F)(F)F)[C@@H]4C3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWFVIVYQTUNSR-MRSOFBGISA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4ccc(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NECGITWPQWCZSJ-MZSWFSNMSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3c(C)nc4ccc(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKFHGLDLBLVNB-MRSOFBGISA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4ccc(Cl)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQHIFFFTHFJOH-MZSWFSNMSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4ccc(C#N)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAJLXDLLITCGH-MZSWFSNMSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4ccc(Cl)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFKEQHUCSROAN-XQWURTRYSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1[C@@H]2C[C@@H](n3cnc4ccc(C#N)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMTBODCLVXXNCB-AFVPOHNSSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(Cl)c(F)c1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOIUNCWUUVPCDA-UENFOFCHSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAPFNEJTKCIVRA-IDJJVQAESA-N", "SMILES:C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTCRNOSJGYTIQ-DJOQKBOVSA-N", "SMILES:CC(C)(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCGWDFDSUEECQ-XASPMJECSA-N", "SMILES:O=C(N[C@H](C1CC1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGUBJZQWKCXEQ-LEJLEWFMSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUTOLCHGOMSFSM-QSNWTAMLSA-N", "SMILES:CC[C@@H](NC(=O)C12CC(F)(C1)C2)[C@H]1[C@@H]2C[C@@H](n3cnc4cc(F)c(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTQHRCGXTZZGU-ZIPGTUKPSA-N", "SMILES:CCC(c1nc2cc(Cl)ccc2[nH]1)[C@H]1[C@@H]2C[C@@H](c3ccnc4ccc(F)cc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWFVIVYQTUNSR-QUXXCFOZSA-N", "SMILES:CC[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@@H]2C[C@@H](n3cnc4ccc(F)cc43)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLEWXHXSCAAZRI-WOVMCDHWSA-N", "SMILES:O=C(C[C@H]1CC[C@@H](c2ccccc2)CC1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFZUMMXCKZZDF-UWUNEBHHSA-N", "SMILES:O=C(C[C@H]1CC[C@@H](Oc2ccnc3ccccc23)CC1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVORLUUNYOYHW-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c3ccc(-c4cccc(-c5noc(=O)[nH]5)c4)cc3c3cc(-c4cccc(-c5noc(=O)[nH]5)c4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEZKKWKRGKLFW-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c3ccc(-c4cccc(C(=N)N)c4)cc3c3cc(-c4cccc(C(=N)N)c4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYLXZLYEGDFVDA-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c3ccc(-c4cccc(C(=N)N)c4)cc3c3cc(-c4cccc(C(=N)N)c4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFFAPWVKDOSSG-UHFFFAOYSA-N", "SMILES:N=C(N)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C(=N)N)c4)ccc2n3S(=O)(=O)c2ccccc2OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHFVGSLPGMASP-UHFFFAOYSA-N", "SMILES:N=C(N)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C(=N)N)c4)ccc2n3S(=O)(=O)c2ccccc2Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWGHOLMTFMORW-UHFFFAOYSA-N", "SMILES:N=C(N)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C(=N)N)c4)ccc2n3S(=O)(=O)c2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEDUMLDANFUHT-UHFFFAOYSA-N", "SMILES:N=C(N)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C(=N)N)c4)ccc2n3S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNESFUKPCCONQT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2c3ccc(-c4cccc(C(=N)N)c4)cc3c3cc(-c4cccc(C(=N)N)c4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJUAQPWGDLDDD-UHFFFAOYSA-N", "SMILES:N/C(=N\\O)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(/C(N)=N/O)c4)ccc2n3Cc2cccc(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1535689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCHQJDEYFYWER-UHFFFAOYSA-N", "SMILES:O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4437334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRUCTMUVKDPOSM-QRVIBDJDSA-N", "SMILES:O=C1C=C/C(=N/Nc2ccc([N+](=O)[O-])cc2Cl)C=C1C(=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXVFZYAPGTCQJ-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2c3ccc(-c4cccc(/C(N)=N/O)c4)cc3c3cc(-c4cccc(/C(N)=N/O)c4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTXFRMCKLJLVDP-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2(Cn3cncn3)COC(c3ccc(-c4ccccc4F)cc3)=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRCEUHIAGYRDK-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2(Cn3cncn3)COC(c3ccc(-c4cccc(F)c4)cc3)=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHMMXFBHKGAAI-LBPRGKRZSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRXDWPKULAMMR-NRFANRHFSA-N", "SMILES:O=C(NCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROMXIOZKIWCLK-QFIPXVFZSA-N", "SMILES:COc1cccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUDHJFHAAEJPX-QFIPXVFZSA-N", "SMILES:COc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYNUSKJDVJHHFJ-NRFANRHFSA-N", "SMILES:COc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQRTHDFJIGKOK-NRFANRHFSA-N", "SMILES:O=C(NCc1ccc(F)cc1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWCBNLXORASGHM-QHCPKHFHSA-N", "SMILES:Cc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXGXCBXNQKWBIN-SANMLTNESA-N", "SMILES:O=C(NC(c1ccccc1)c1ccccc1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYWESVNYSSOJX-QFIPXVFZSA-N", "SMILES:O=C(NCCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPIBKLMNZIHAGI-QFIPXVFZSA-N", "SMILES:COc1ccc(CCNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVPFIXRTLJMNOS-NRFANRHFSA-N", "SMILES:COc1ccc(NC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJVFWJBYVQKOCW-NRFANRHFSA-N", "SMILES:COC(=O)c1ccc(NC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWWNVTQYDDYRFC-KRWDZBQOSA-N", "SMILES:O=C(NC1CC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUWOOVNECIJIMV-KRWDZBQOSA-N", "SMILES:CC(C)NC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUHSCPMFLPTMN-IBGZPJMESA-N", "SMILES:CCCCCNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWLWDUDSRAMHCE-SFHVURJKSA-N", "SMILES:CC(C)(C)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMCEOHCJBQWNS-FQEVSTJZSA-N", "SMILES:O=C(NC1CCCCC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEUYYKVDUFOAIG-NGSVYCESSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLXSXGKMGMDKH-INIZCTEOSA-N", "SMILES:COC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JINHRPZJCIHJGA-KRWDZBQOSA-N", "SMILES:CCOC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTTFNCLHEGUOEO-SFHVURJKSA-N", "SMILES:CC(C)(C)OC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRHSZYLLPEVMX-RUINGEJQSA-N", "SMILES:COC(=O)C(C)NC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKBIAFYUFQSZNI-LROBGIAVSA-N", "SMILES:COC(=O)C(NC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLMZNAUXICCLY-KRWDZBQOSA-N", "SMILES:CN(C)C(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDIBMKFZUQYHI-IBGZPJMESA-N", "SMILES:O=C(NCC(=O)N1CCCC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBCOULRKRCZJG-IBGZPJMESA-N", "SMILES:O=C(NCC(=O)N1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYXHPTITXFBEJF-INIZCTEOSA-N", "SMILES:CNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYZSSDNDXVLPN-SFHVURJKSA-N", "SMILES:CC(C)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLHZVXLQMTQKB-SFHVURJKSA-N", "SMILES:CC(C)(C)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGDOKYOMQOXPG-SFHVURJKSA-N", "SMILES:O=C(CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPBBNXKVXYUVFN-NRFANRHFSA-N", "SMILES:CCCCCCNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCPZFMXELHJWEF-KRWDZBQOSA-N", "SMILES:O=CCNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFKFUJZZLVDEV-QFIPXVFZSA-N", "SMILES:O=C(CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKLTOBOLLFFRP-QFIPXVFZSA-N", "SMILES:COc1ccc(CNC(=O)CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAWYYXUUXADHL-KRWDZBQOSA-N", "SMILES:COC(=O)CNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGZLVKZEXMSBK-SFTDATJTSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDMZLJGRHWMFFR-ZEQRLZLVSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSHGZWMVFUTHH-ROUUACIJSA-N", "SMILES:COC(=O)[C@H](CO)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXWIVBLHVJRQTG-OALUTQOASA-N", "SMILES:COC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGAKLHGEHYMSSJ-OALUTQOASA-N", "SMILES:COC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOLSGKARGLNFO-SFTDATJTSA-N", "SMILES:COC(=O)[C@H](CCCCN)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IISWHZMRRJGSCR-UIOOFZCWSA-N", "SMILES:COC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXXYBVNYOSWIF-UIOOFZCWSA-N", "SMILES:COC(=O)[C@H](CCC(=O)NCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQICLVVSOBZEBA-NSOVKSMOSA-N", "SMILES:COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTCVDGTWHFXHPT-DQEYMECFSA-N", "SMILES:COC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTXRBYGCEKYZNF-ADKRDUOOSA-N", "SMILES:Cc1cc(C(=O)O)ccc1-c1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBCVMYUIKAAOM-ADKRDUOOSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFJCWTZPZZFWML-ADKRDUOOSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTRVIQSSPLXTID-HPGBDJQBSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVMXYAKTSAIGM-OQRWROFFSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXMDZCZXKXEQPO-OQRWROFFSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1cc(C(F)(F)F)c(OC)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRUJTOPJKOHACS-OQRWROFFSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCYSNLXNFIIHF-OQRWROFFSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(C(F)(F)F)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMASPVRYNPYTA-MQNRADLISA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(C(F)(F)F)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGXISNKDVPZJL-YRVHBCJASA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPIRVBKTUPTOK-ADSBAMQRSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKBSOSQRWZNTN-PBYQXAPXSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWHQEWEOGKXNO-GEFUHLBYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N2CCCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQOZZHKPLEEEM-GEFUHLBYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSQOLRUKRIEHLA-HPGBDJQBSA-N", "SMILES:COc1ncc(-c2cc(-c3ccc(C(=O)O)cc3C)ccc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESRUFGLSOLJIG-PBYQXAPXSA-N", "SMILES:CCc1ncc(-c2cc(-c3ccc(C(=O)O)cc3C)ccc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJFEMOFUSWWNZ-HPGBDJQBSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(C(C)(F)F)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUQRWWGOYHSAHA-SLQAJWMNSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2cccc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCQZGRHROYLZIV-SLQAJWMNSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2cccc(OC(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRIFFGSJHHEPI-SLQAJWMNSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2ccc(OC(F)(F)F)cc2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRMHANVZWEHPB-SLQAJWMNSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2cccc(Cl)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCYJSRQLLRENH-YRVHBCJASA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZXLXIGIXPVPMO-YRVHBCJASA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2cc(F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLRDKGXJLDOEE-YRVHBCJASA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2cc(Cl)cc(Cl)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBGLUUIVPXTNHF-YRVHBCJASA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2cc(F)cc(F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBMFQAVLYZOICP-JMQGSBJISA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2cncc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJOMKCKCPKGETQ-JMQGSBJISA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2ccnc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRGTFBOMNPREQ-JMQGSBJISA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1CN1C(=O)O[C@H](c2cccc(C(F)(F)F)n2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDYVHNVBUSBBRX-OHSXHVKISA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQFSPEODJBYNSP-UNCTUWKVSA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLWPNSFZZSUNKM-OHSXHVKISA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(Cl)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTXWSVNQLUYMS-OHSXHVKISA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cccc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQOEWDYVOETDQ-OHSXHVKISA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJLRDQUDYKHROZ-OHSXHVKISA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZVFUHASVFPJEH-OHSXHVKISA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTGSGBXFQNIZMO-PNIUZAESSA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1cnc(N(C)C)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJATQGJYCZWAP-IBGGVINMSA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(N(C)C)nc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKMLMGHFLAAZGY-JCYRPKCISA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1cnc(N(C)C)nc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIALOCMGLGJOEY-OHSXHVKISA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)SC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOARASJMIQXJHS-ICTDUYRTSA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWKUMBZDNOWPAT-UNCTUWKVSA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)N(C)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPJFEOKUVPUGG-IFVICWKKSA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@@H]2C1C(=O)O[C@@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KICMOLVIKZKIJI-BALWLHIASA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@@H]2C1=NO[C@@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQUOQPJVFUUKOZ-AREMUKBSSA-N", "SMILES:COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLMDMGVNLQHTAU-QMTYFTJSSA-N", "SMILES:COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYNILFKRCWZEO-SXBQZSJRSA-N", "SMILES:CC(C)c1cc(-c2ccc(C(F)(F)F)cc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJAXAOZBMJAVJN-WLCDSKTPSA-N", "SMILES:COc1ccc([C@H]2CCC(=O)N[C@@H]2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJOAKCGQYZEHJL-AKZCCGJFSA-N", "SMILES:COc1ccc([C@H]2OC(=O)N[C@@H]2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQINKRRHMSXCFE-LKBSSSLOSA-N", "SMILES:COc1ccc(C2CNC(=O)OC2(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBLDKWGJGFOVFG-PBYQXAPXSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERNXUJSLZIQSI-ADKRDUOOSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPIIWFUWNLBJHF-ADKRDUOOSA-N", "SMILES:COc1ccc(-c2ccccc2C(=O)O)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDVWGHCXLJGVTM-ADSBAMQRSA-N", "SMILES:COc1ccc(-c2ccccc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDNWJFASCPNTRU-ADKRDUOOSA-N", "SMILES:COc1ccc(-c2ccccc2F)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOZRBCWOEKTAQU-YRVHBCJASA-N", "SMILES:COc1ccc(-c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVVFIIYREHMBTN-UNCTUWKVSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZRMENLRCXEIFA-GSBZAIBZSA-N", "SMILES:COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEBGPNPTGXZIA-GSBZAIBZSA-N", "SMILES:COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSXZBRQNVFYRD-LHHUKBANSA-N", "SMILES:COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1cc(C)c(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYWYJSLWHXISC-TWLDFKIOSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1c(C)cc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGXIJGWPCASFCG-GSBZAIBZSA-N", "SMILES:COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNWQVUVOSNPPMV-LYVYPOQBSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNKTGAHDLAMLO-NLJOTIRTSA-N", "SMILES:COc1ccc(CCC(=O)O)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHUXWKLCNFBNEC-CENSFKGNSA-N", "SMILES:COc1ccc([C@H]2C[C@H](C(=O)O)C2)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPSUBYGIYLFUSG-HBYAUOAXSA-N", "SMILES:COc1ccc([C@@H]2C[C@@H](O)[C@@H](O)C2)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGTXNRGATFMNEY-NCZODNFJSA-N", "SMILES:COc1ccc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYKAGLAXZNIOKP-FEVNIDIWSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOAPJFRUAASJIX-YTCPBCGMSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGDZXEXIGIEYIU-TWLDFKIOSA-N", "SMILES:COc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKTHTDSAZMPYTD-LYVYPOQBSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1c(C)cc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDWVBQVFWMPRGF-FEVNIDIWSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRTVBLSQMFWPH-LYVYPOQBSA-N", "SMILES:COc1ccc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKQNPXJDUYGBV-JGWKBQBDSA-N", "SMILES:COc1ccc(C(C)CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUJZFENGTCXFNC-UHFFFAOYSA-N", "SMILES:COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPXHDJBILNWLI-CQSZACIVSA-N", "SMILES:COC[C@@H](C)n1c(C2CCOCC2)nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCEZPGCCFZDDQO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N(C)C)n(CC3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNTLEGVQLWKYEU-MRXNPFEDSA-N", "SMILES:COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHGHADAIXQJFA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTXFGXFWPBTLM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYFFPYQXENUIGH-UHFFFAOYSA-N", "SMILES:CCCC(C)n1c(=O)[nH]c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUQHDVXLTLJNHF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTPZHDYKHVXXQH-UHFFFAOYSA-N", "SMILES:COCC(C)n1c(=O)[nH]c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLDKHYDDYZRIO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CCOC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRHTSPORIIYSX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CCCOC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPSQZFFCDADHRE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQAEWZTFCCINX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C(C)C3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAUJRDEKLLVHH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMBDOWUNONCGQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C3CCNCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMAADMLFZSMLHC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CCN(C)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLFNEYBKBWPFBI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZNFHPBYRCLAHN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(Cc3ccccn3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXJSRYTZUTWGS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C)n(Cc3ccccn3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEJHFBYAPXUQA-UHFFFAOYSA-N", "SMILES:CCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUKUCEXGLMYVBS-UHFFFAOYSA-N", "SMILES:CCCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYZCKWWJXXBKAF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C(C)C)n(Cc3ccccn3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXWAWHGUXRIOO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N)n(Cc3ccccn3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDSLEACFBJQMRD-UHFFFAOYSA-N", "SMILES:COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFVMWQMTMJBRC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(Cc3ccccn3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQITIVMLWWCQS-UHFFFAOYSA-N", "SMILES:COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1C(C)COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLWHKLPLFINQQ-UHFFFAOYSA-N", "SMILES:COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1CC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIOOSOOONHYLBW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(CC3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPXHDJBILNWLI-UHFFFAOYSA-N", "SMILES:COCC(C)n1c(C2CCOCC2)nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPXHDJBILNWLI-AWEZNQCLSA-N", "SMILES:COC[C@H](C)n1c(C2CCOCC2)nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQFGXAYOTVYOT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(C(C)C3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBQLRXYOFJFCCX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N3CCOCC3)n(CC3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHAHMNSIYNZMNL-UHFFFAOYSA-N", "SMILES:COCc1nc2cc(C)cc(-c3nn4cc(C)nc4s3)c2[nH]1"]}
{"name": "Proteinase-activated receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL4879420"], "id": "UniProtKB:O88634", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJLCTFMPYPNQCV-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(-c3nn4cc(C)nc4s3)c1)CCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOOAMEFMHDVIAW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nn3ccnc3s2)c2ccn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWIPZPGFBFICMQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nn3cc(C)nc3s2)c2ccn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQJNNIBBPHSQKJ-UHFFFAOYSA-N", "SMILES:COCc1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXDQASHZCIHAL-UHFFFAOYSA-N", "SMILES:COCc1nc2cc(C)cc(-c3nc4c(Cl)cc(OC)cc4s3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTHFZDPJVJZMD-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2nc(-c3cc(C)cc4c3CCN(C)C4=O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPPYKFQDRRDKN-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2nc(-c3cc(C)cc4c(=O)n(C)ccc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBPDHFGQIXJXCU-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2nc(-c3cc(C)cc4c(=O)n(C)cnc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKHPANXURRXHS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(Cl)cc2Cl)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNIWUQNRMFWBU-UHFFFAOYSA-N", "SMILES:COc1cc(F)c2nc(-c3cc(C)cc4c(=O)n(C)cnc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJDIBANYLSOXJO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(s2)CCCC3)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGLHIPTUWXXQE-UHFFFAOYSA-N", "SMILES:CCOCn1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGSJYMRVRIQHG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Cl)cc(OCCNS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPWKCZLIHJETKB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(C)cc2c(=O)n(C)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJEBDIUKCSPFFG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2F)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXHUYVVPVRLMCB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(Cl)c2Cl)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACQEZKGYDLOQO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccs2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWURDGAAGUDATN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3ccccc3o2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBIMWUKHZJFBU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Cl)cc(Cl)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYKLPHLXZKOJX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Cl)cc4c(c3s2)OCCO4)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBHINMXOXIVPP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Cl)cc(OCCNC(=O)OC(C)(C)C)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLCXVVMLTWMED-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2nc(-c3cccc4c(=O)n(C)cnc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRIHKIWISQYNM-UHFFFAOYSA-N", "SMILES:CCn1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTCATBUMAJRFKU-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2nc(-c3cc(C)cc4c(=O)n(C(C)C)cnc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINUQLSARJUYAT-UHFFFAOYSA-N", "SMILES:C#CCn1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJFKJUKGPGXEI-UHFFFAOYSA-N", "SMILES:COCn1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFCMLVAVNYJQM-UHFFFAOYSA-N", "SMILES:CCCCc1cc(-c2nc3c(Cl)cc(OC)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPHVZPINIUZDBO-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2nc(-c3cc(C)cc4c(=O)n(C)c(C)nc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKQACTGJKNDFTK-UHFFFAOYSA-N", "SMILES:COc1cc(F)c2nc(-c3cccc4c(=O)n(C)cnc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNVWMIBESDBZMB-UHFFFAOYSA-N", "SMILES:CCn1cnc2c(-c3nc4c(F)cc(OC)cc4s3)cc(C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXWNFMUBQHFNI-UHFFFAOYSA-N", "SMILES:COc1cc(F)c2nc(-c3cc(C)cc4c(=O)n(C(C)C)cnc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYBUHKRXIKSSL-UHFFFAOYSA-N", "SMILES:C#CCn1cnc2c(-c3nc4c(F)cc(OC)cc4s3)cc(C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTKYNHWSHVBAPR-UHFFFAOYSA-N", "SMILES:COc1cc(F)c2nc(-c3cc(C)cc4c(=O)n(C)c(C)nc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTGTZABNRODBKC-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(-c3nc4c(s3)CCCC4)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWODWXNWYXDQM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(s2)CCCC3)c2nc[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKVXOINHUJMCE-UHFFFAOYSA-N", "SMILES:CCn1cnc2c(-c3nc4c(s3)CCCC4)cc(C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDIHUKINPVAZHA-UHFFFAOYSA-N", "SMILES:C#CCn1cnc2c(-c3nc4c(s3)CCCC4)cc(C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQORLZMWXVDZEY-UHFFFAOYSA-N", "SMILES:COCn1cnc2c(-c3nc4c(s3)CCCC4)cc(C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNIWXIDARZJON-UHFFFAOYSA-N", "SMILES:CCOCn1cnc2c(-c3nc4c(s3)CCCC4)cc(C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZNVNDZPZCOPX-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2nc3c(s2)CCCC3)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPSWVRJNVRAFQ-UHFFFAOYSA-N", "SMILES:CCCCc1cc(-c2nc3c(s2)CCCC3)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSWFBIROKLHGZ-UHFFFAOYSA-N", "SMILES:CCCCc1cc(-c2nc3c(s2)CCCC3)c2ncn(CC)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJFYYSDUQKEJV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(s2)CCCC3)c2nc(C)n(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPLOJMDSMGQSQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Cl)cc(OCCN)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQIEPTWEMBGON-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Cl)cc(OCCNS(=O)(=O)c4ccccc4)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMESDAGGLREPTE-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCOc2cc(Cl)c3nc(-c4cc(C)cc5c(=O)n(C)cnc45)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVXDHPBYRWWNU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Cl)cc(OCCNS(=O)(=O)c4ccc(Cl)cc4)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICXKQLUEXPHNO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Cl)cc(OCCNS(=O)(=O)c4ccc(F)cc4)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWAHKTMJFQUAFV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Cl)cc(OCCNS(=O)(=O)c4ccc(Cl)cc4Cl)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAMARXZSROCBOX-UHFFFAOYSA-N", "SMILES:Cc1nn2cc(-c3cc4ccccc4o3)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHVMHSIYDYQYQK-UHFFFAOYSA-N", "SMILES:Cc1cn2nc(-c3cccc4ccoc34)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEZFBRXFSGVWMR-UHFFFAOYSA-N", "SMILES:COCc1cc2cc(C)cc(-c3nn4ccnc4s3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYVWLUNTGRINZ-UHFFFAOYSA-N", "SMILES:COCc1cc2cc(C)cc(-c3nn4cc(C)nc4s3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMFMBOISMKMPD-UHFFFAOYSA-N", "SMILES:COCc1cc2ccc(OC)c(-c3nn4ccnc4s3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKLWPAHWFXWHD-UHFFFAOYSA-N", "SMILES:COCc1cc2ccc(OC)c(-c3nn4cc(C)nc4s3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUWRZIFULVNPGV-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2nc3c(Cl)cc(OC)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSFCIZJRFPBAN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Cl)cc(OCCNC(=O)c4ccccc4)cc3s2)c2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUSDVFBSNCGDJV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLSBBJMRFXYBRG-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRASMWZCIWBCBX-QHHAFSJGSA-N", "SMILES:C/C=C/C(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHYOFMGBWMXRM-UHFFFAOYSA-N", "SMILES:CC(C)=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHOUJKDYMLGSRR-YCRREMRBSA-N", "SMILES:CC/C=C/C(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMGONFHVYNCJAA-RMKNXTFCSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZQMSKHNPZIQCU-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGPHJRJCXOYFAN-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVXGEKWERVIGOX-UHFFFAOYSA-N", "SMILES:N#CN1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTBVBAJDKWOKN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)n(C)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLKWLFPAXLADC-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)n(C)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFOHBOJEDUNQG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)n(N)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKDZSPIYOOQND-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)n(N)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHNHHVQLIDCGPV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWJOCQDPREGAK-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEZQUONGYCJDT-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZDBQQUVXGEJK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5F)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCSWATZYIKJZQY-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5F)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOUOPUKEZYZDGH-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5F)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHXFEUIEJUWKI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5cccc(F)c5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOQEZVGMLQMQW-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5cccc(F)c5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWIBZUNLVCKGIK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCKZCLBAGLSDHW-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXKBKYPMMTKKK-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUNVFZQBMWUFQB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACEZALPCZPJDGJ-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBPJECYFQWDEL-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCNKKSJSJCYYHJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5OC)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEDRKVAYSFEMN-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5OC)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODXYXCGGMIWDQX-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5OC)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKDQRYWOGQAQB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(Br)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLTFELJZKFIWJM-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(Br)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUVYLZSJSLROTJ-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(Br)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSUHWKQFHRODS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(C)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKIPVOCQKUPLW-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(C)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPNZPCHZXNRNEV-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(C)cc5)cc4)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMZJJADEQCVLHO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEUCCWFXKBITBH-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGMKTVDZXADNH-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRQWVSHPMGOTLM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYZRLBVQXCHGT-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIDJYPFYHDBXHU-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDARSRMNDXASZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5F)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSBWLLDVNLTNBR-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5F)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOCVOJXCERWEFN-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5F)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWIOSNYCLYYCBO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRODJBQNSZJSC-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMWXSIUASUCHN-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORAMIEMJULSCAA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5OC)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTENKIYWXFNKIB-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5OC)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYUMEAMGPZXKA-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5OC)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSYJGLHGIWORFB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTSLCIVKEVXGQT-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIFFAYSEHIUEHK-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVAORPOUMHZPJW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILGGCGVESZTCQ-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZVUGDKZJIUUHT-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBIURVYFLXWBMJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVYZTZYXUWNGO-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGCOQNZIOTJQQ-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBHHQSZIKQGMR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFGDGZQJKXMJQ-UHFFFAOYSA-N", "SMILES:C#CC(=O)Nc1ccc(-c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAGAICSJEYDLRC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWDIOYBICOUNMI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2nn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKVXOMUFGIIKS-RMKNXTFCSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCc2nn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPVJOXFGFVAQDC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCc2nn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWSGJKXXHQTFB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2nn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c3c2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSQMYZTUXVBHJR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)cc3)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXJOYOKCIHZDO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHHLVFWYKDPSX-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(=O)NO)cc1NC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOWGJAJBYVLPPG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NC(=O)c1ccc(-c2ccccc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXVQMXXRQZSYJR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFKURCQJQVSJIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTMIZEUATSOXDX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NC(=O)c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOMGWRMPHBALB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NO)cc1NC(=O)c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDOZDJTRDBXRC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NO)cc1NC(=O)c1cccc(OCc2c(Cl)cccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXGMAAHHLEXSF-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(=O)Nc2cc(C(=O)NO)ccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRRMDGVURVBFB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NC(=O)c1ccc(OC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTRMEVORZABNR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(C(=O)NO)ccc2OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAYJCKDEPAKXQN-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)NO)cc1NC(=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZTVWYMPFHQEBP-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(C)=O)cc1C(=O)Nc1cc(C(=O)NO)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRHRACKJKBOJEI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRSVQQCNCYSKT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NC(=O)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVKMEBMGKCRGMV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NC(=O)c1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFROQVRGDKTHLN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NC(=O)c1cccc2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRSVMKECKEIPI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJRWUUWLMYRYBZ-HIXSDJFHSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NC(=O)c1cccc2c1/C(=N/O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJYNCXNVPFKCRG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NCc1cccc2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNERULXWBNHIGT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHEWDXYTRTUNJV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEWPZJYXGLIPS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NO)cc1C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQXCVXFEJHFUED-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVBVBEVZAIJAKB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHYDZMMXOLOKOS-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHPDEYIVLYNXPS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKKTRVUMQNSHW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSSKBDDWOXOBRP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWRRICMEGNZFK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIOAZADOXUMQW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1C(=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGGPIKUTJXGPJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc(C(=O)NO)ccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDPIMCSGNEEKP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1C(=O)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANSTCQTALFESK-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1C(=O)Nc1ccc2sccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYQSZPZKJBTGR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)NO)cc1NC(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPMDJMFJIUPELN-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(Nc2ccccc2F)cc1-c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFYCYUPEBWCOH-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(Nc2cccc(F)c2)cc1-c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTZHHXXLJQXIR-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(Nc2ccc(F)cc2)cc1-c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWZKXENFKWHULN-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1c[nH]c(=O)c(-c2cccc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLMNVVMSGZHFY-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2c[nH]c(=O)c(-c3cccc4[nH]ccc34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMLHXXUURYGPF-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(Nc2cccc(O)c2)cc1-c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTRZKBZZNOYXRJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1c[nH]c(=O)c(-c2cccc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLWYHBFCRDAJSN-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(Nc2ccccc2Br)cc1-c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HULYWQLAFAOQQI-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(Nc2cccc(Br)c2)cc1-c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEKHSMVJIWQETC-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(Nc2ccc(Br)cc2)cc1-c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEXGQFUIKSLHR-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2c[nH]c(=O)c(-c3cccc4[nH]ccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPGNOOCSYIWDSU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])c(O)c(O)c3oc2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKMABLLOAGMBGU-SNVBAGLBSA-N", "SMILES:CCCN(C(=O)c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O)[C@@H]1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJZTSSSSVYQAD-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O)N1CCCN(S(=O)(=O)c2ccc3ccncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXWDPZAWAYWAW-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOLJMUVMVVSXRX-UHFFFAOYSA-N", "SMILES:Cc1c(O)c([N+](=O)[O-])cc2cc(C(=O)Nc3ccc(O)c(C(=O)O)c3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUHMHFTUCNXBEA-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])c(O)c(O)c3oc2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URNJBIVPTBANPW-UHFFFAOYSA-N", "SMILES:Cc1c(O)c([N+](=O)[O-])cc2cc(C(=O)NC3CCN(Cc4cccc(F)c4)CC3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAOGBJIEZYOANA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWHIHWXABDJYKV-UHFFFAOYSA-N", "SMILES:Cc1c(O)c([N+](=O)[O-])cc2cc(C(=O)NC3CCN(Cc4cccc(Br)c4)CC3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDGHZACQVGOXOA-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCC(NC(=O)c3cc4cc([N+](=O)[O-])c(O)c(C)c4oc3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKPLMSYGHTXDR-UHFFFAOYSA-N", "SMILES:Cc1c(O)c([N+](=O)[O-])cc2cc(C(=O)NC3CCN(Cc4ccc(C(N)=O)cc4)CC3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJGNPFWTBMCNS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWGLEVDORCJBLA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGELSJWRJQSPLG-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1Cl)c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNFSXKRLNLXFR-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRZNCJNXAMUDLE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc(F)c2)CC1)c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOGGILZMWKDSL-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCUBRKDDUIILMM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1cc2cc([N+](=O)[O-])c(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPMZVGNPDWZAV-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4cccs4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63354", "category": ["biolink:ChemicalEntity"], "name": "AMENTOFLAVONE", "xref": ["InChIKey:YUSWMAULDXZHPY-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4864275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBSTJJNZCCKQB-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXCNBMXHJFAGS-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc34)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKELJHYVBHTGEK-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(C(F)(F)F)cc5)oc34)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGMDIVEUUWXEP-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(F)cc5)oc34)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUUIHWZIFOVYPV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cccc(-c5cc(=O)c6c(O)cc(O)cc6o5)c4)c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTVSTGUXRBSPL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cccc(-c5cc(=O)c6c(O)cc(O)cc6o5)c4)c3o2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGHWDVXMDNCPBP-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5cccs5)oc34)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJNWRXMGKHYFF-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5ccco5)oc34)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILRIRKDWLSDAHF-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAOIFSCMDMSDI-UHFFFAOYSA-N", "SMILES:O=C(C1CCC1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSDMWDCIGGCLQD-UHFFFAOYSA-N", "SMILES:O=C(C1CCCCC1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPZHEWFZIDTJAY-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHLSBRPMTUAAJF-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIJKBOOTXPUDJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTSQCZHPPZSTL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXZPEGDMGQFGRJ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRWFCOHKWHDUFU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUTLMLSWLHAYFX-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQYXRLMSSLCMB-UHFFFAOYSA-N", "SMILES:O=C(c1ccncc1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFDJRDCTPQNDP-UHFFFAOYSA-N", "SMILES:O=C(c1ccccn1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVWIQISFGVSEU-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBMOEKQDKFFPF-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHZFOEJHNMSPPN-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYECASUEGHSUDT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(COC(=O)N2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGKXTXTVSZEJE-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(CC4CC4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOLOJQLUUPNREF-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(CC4CCCCC4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVTZFDXFKIUNT-UHFFFAOYSA-N", "SMILES:CC(C)CCN1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCDYIXTZSZFBSI-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRKDFSOCHUEPJN-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccc(Cl)cc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYCQAURMBEKQJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORNADEHMGKTUNU-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYNRPRJQGXLAH-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTVSJNVRUKYST-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPSZYHSMIFIMD-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccc(F)cc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOEABJDNSYFTIF-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(CC4CCCO4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMAWEGWCFGENSW-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccco4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBZPBWLCKEFCR-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccncc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KICPCWUSNBHOMJ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccsc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHHPGIZAYLBCLT-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccoc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPCSBOCTZXBEFZ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccccc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHCVUGJIHPEYQR-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccccc4O)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGSEUCXCOWAEW-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccc(O)cc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFQVUHPQGWFFND-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKIUJFLQYIVBHM-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccc(Cl)cc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWZJNRMERTOIL-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccc(C(F)(F)F)cc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEOTVKBFAIOWQK-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccc(F)cc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKVHDFTTYJQKSR-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4cncnc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICZDBVDXARDKR-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTYUQMITQHDQX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKNDUOUXKTDLA-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCC(CO)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFJBOYRLFMCSC-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCC(c4ccccc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYAONXACBFSKCA-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(F)c1F)C1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKKQVGAKVFNRG-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(CN3CC=C(c4ccccc4)CC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3606021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARYVAQSYRLZVQD-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTYSIDSTHDDAJW-LCYFTJDESA-N", "SMILES:Cn1cccc1/C=C1\\C(=O)NC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1368758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSLRQNDXRSASX-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4846434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEQXQKRQDNQHZ-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1ccn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDKVDUVCSMFJEH-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(N2CCOCC2)c2ccn(C3CC3)c2n1)Nc1cc(Cl)nc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXEGVUZMRWTIPS-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(-c3ccccc3)nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWDGUDDHZAZDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc2ccccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUTVAYUUIWCGGC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc2ccc(Br)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOJKAQPFNOTJLL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc2ccc(-c3ccccc3)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYCKKAHJQIFTAT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3cc(NC(=O)Nc4cc(Cl)nc(Cl)c4)nn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEUXBJWNDFZPI-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(Nc2ccccc2)nc(N2CCCC2)n1)Nc1cc(Cl)nc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZBMIKJVIIESRJ-UHFFFAOYSA-N", "SMILES:CNc1cc(C)nc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKYTWDYPPVHFSN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(Cl)nc(Cl)c2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLFPBJAMINGNZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)nc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIGSRNFAKQPCLT-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Nc2cc(Cl)nc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJDCZMSGGIBNNP-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(Cl)nc(Cl)c2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOPVMJUTGDATH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(Cl)c1)Nc1cc(Cl)nc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKKNLORBHYQJU-UHFFFAOYSA-N", "SMILES:COc1c(Cl)cc(NC(=O)Nc2cc(Cl)nc(Cl)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXZBNIOTQJQAPQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc(Cl)nc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQPWIYRTDXKQFY-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Nc2cc(Cl)nc(Cl)c2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLRAAOCGWOYSP-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)Nc2cc(Cl)nc(Cl)c2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGVMQDQYGFLAQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)Nc2cc(Cl)nc(Cl)c2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLMSHTVRRVDKU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc(Cl)nc(OC2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQULGOCJFQHCRQ-GFWZJIFDSA-N", "SMILES:CC(C)[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFGKGHDHIHVEDO-ANCQKIQRSA-N", "SMILES:CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(CCc3c(C)[nH]c4cc(Cl)cc(Cl)c34)nn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2cc3cc(c2)C(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc4ccccc4c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(CCCCNC3=O)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYHLYYDPRAGER-XVPUUEGOSA-N", "SMILES:CCCCCCC[C@@H]1NC(=O)[C@@H]2CSCCCSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H](CO)NC1=O)C(=O)NCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMVQFCXJZYUTIY-HVXKXNQYSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)NCCC(=O)NCCC(=O)NC(CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTIVTBIQLGVTK-CMLVFNFRSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMIDHAJNNXNSA-MSLPVVTBSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCRGYOGKAYHMB-HFDRRLRPSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N2CCC[C@@H]2C(=O)N2CCCC[C@@H]2C(=O)N[C@@H](CCCCN)C(N)=O)[C@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFHGWIDWRUOFBP-AZMQJGAOSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCN)CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVXYHJAPWAARZ-LTZHBBNCSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWMLKOAWOZPSE-XEXKHPQWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTINHKUIHBUKU-ZIZIXCCQSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRWDETUYBVQQHD-OWQGGRMHSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAAILWPUNKJVIN-DYDAQWMOSA-N", "SMILES:CCCC[C@H](NC(=O)CNC(=O)C[C@H](CCC)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFXUDUYHVNXHRE-VQGXBTKJSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGZCAIYRSIPCMK-YYXMRYJWSA-N", "SMILES:C[C@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C[C@H](CCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHYFNOMOXOLGSG-XVYDMSAISA-N", "SMILES:CC(C)[C@@H](NC(=O)C[C@H](CCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@H](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSVPIALKMOUSSD-ZPCLNFOSSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCN)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(N)=O)[C@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCHAEXQDCHBFA-MSRYAYHYSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMVFAWKYHSORP-QVJOHXDPSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCN)CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJISEFFENUPEDX-POPQXVTJSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCN)CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQQANLONCCQOFP-KLRXCSFRSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCN)CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHILDAQYOLBRH-VBRUPBHWSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCN)CC(=O)N[C@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNBFMKKNDOEBNW-SKLDWCINSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXVHSGAZGIJHH-TUMYMNHFSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCN)CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGXPGYCDRIAGL-APLUJHBWSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCN)CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXSOBKKFUKIPFM-OALWFRNVSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXSOBKKFUKIPFM-LBIJLOKYSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZUIZXNBIJIGF-ATYONWPJSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCc2ccccc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSGQCSJPQDIMOZ-XWFDJDHUSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEHJULGHKBQDA-VEZMDHJTSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSBGBUSPZFVWKO-MQFNKAHWSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C)C(N)=O)c2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWPLIKCRDWHID-LVBXKIJJSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNIPROCTFJDDZ-GZLLYPIPSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPRSJDCHXQHTDN-XEENTHDRSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUADQWYZPDLJX-YKRCZETASA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLJBJRQTKITOQ-PRQIPAFMSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDGXZAUBVZRIP-UZDGKNGKSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPQZAVIHIZOGW-NINPPCNHSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQXHOBGRDSENDS-QJWBVEPYSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTEWPNVCMXKNHK-VEZMDHJTSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTEWPNVCMXKNHK-CZZAWVRFSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRNPJHCFVOFRI-UZHJVEDNSA-N", "SMILES:CC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPVHASTFMTMRL-NAFQGPLCSA-N", "SMILES:CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPSXXHYDPNAMJ-QSBWCFKYSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CO)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEXZDKDLKXFSN-ZJJLARTKSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GARQBSXGRMADJD-IZNYUNPTSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDQLCPNYIWIYKG-TUHGYUDESA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWSMLFRGJDJSC-KKJXKBQLSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2csc4ccccc24)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNNMDBICYAECAK-HFOLIXRWSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2cc3cc(c2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC3=O)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIKKHLYJPAZKR-WXRJPJPKSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWXVFOHANQLQC-RJTAYOCTSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCXCXPCYULJHF-WFYAZZHESA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](C[C@H](N)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUACKOZXDAMRK-NKFWYORWSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZVHVLRTMRDDV-KKJXKBQLSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2csc4ccccc24)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPBVFZGWZUZAPX-BKQSFJETSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUVGTYYRIZRACC-BKQSFJETSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTIVTBIQLGVTK-XOTSFMJLSA-N", "SMILES:C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHAGRRZMNLUDT-DVUSIBPJSA-N", "SMILES:C[C@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDBUKLHPUMTEA-VCMWBCQOSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUBFLXSAQAQOF-IOWQEHFGSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYHVIEKUNZOAPK-RNMIZYDOSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CO)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBKNNCYLFGEKH-BRPZSKLMSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(N)=O)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBIYXYTXFGOBO-QUFBWFRHSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUUUERNMPTHEU-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLNBTPHXJPBDH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2c(C(=O)c3cccn3C)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNQMBOTWRJXJY-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccccc3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYHWOPWRVCWLU-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2c(C(=O)c3cc4ccccc4o3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQWXONGWWITMHT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccc(Cl)cc3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUJZXCPCWQBQO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccc(C(F)(F)F)cc3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOTAUGIOASSDMJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccc(-c4ccccc4)cc3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZOZVONWPEGBG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2cc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXZFPFVRPAIWBT-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)nc2n(C)c3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AESMAPYXTQULCX-UHFFFAOYSA-N", "SMILES:CCCn1c2ccccc2n2c(C(=O)OC)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKIIWURMYDBCCP-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)nc2n(CCN3CCCCCC3)c3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTPVFEBUBFPESV-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2c(C(=O)OCc3ccccc3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQHJWBEOPAYDC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2c(C(=O)C3CCNCC3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJFJQQLMKJIEG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccc(F)cc3F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVFMIEFXOOYHGW-UHFFFAOYSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNS(=O)(=O)c4cn[nH]c4)c3C(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODADOWHBHYNFI-UHFFFAOYSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)cc(O)c4)c3C(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3304306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYCFKMNVCPCHV-UHFFFAOYSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5c(c4)C(=O)c4cccc(O)c4C5=O)c3C(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZFTIAUXVYCFV-UHFFFAOYSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4ccc[nH]c4=O)c3C(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBINWYKLBXRPW-UHFFFAOYSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCC(=O)Nc4cn[nH]c4)c3C(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBIXRKNNTMNYEM-UHFFFAOYSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCC(=O)N4CCNC(=O)C4)c3C(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLRIIBNLFEURH-UHFFFAOYSA-N", "SMILES:CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCC(=O)NCc4cc[nH]c(=O)c4)c3C(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJJQNQSWRYGAY-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CC2C=C(C)CC3C2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUBIZQBUUEVQR-UHFFFAOYSA-N", "SMILES:Fc1ccc(F)c(-c2cc(Nc3ccnc4ccccc34)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZXQSGOKGXBVLB-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBRDPDGKBGKSL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKAMTQOBMUKPQ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCOYNCWMSPDME-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLHMBWMVMBVRL-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-c1ccc2c(Nc3ccnc(-c4cc(F)ccc4F)c3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEDFUAOXMJIRNE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEXQOWXUUAFSOV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCCXAEOXDQXBHG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTRLLIXWASYDX-UHFFFAOYSA-N", "SMILES:Fc1ccc(F)c(-c2cc(Nc3ccnc4cc(-c5ccsc5)ccc34)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVKTYAJUFWKSFM-UHFFFAOYSA-N", "SMILES:Fc1ccc(F)c(-c2cc(Nc3ccnc4cc(-c5cn[nH]c5)ccc34)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNLMVYWBJPOVSI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUBMJCSEANNKB-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKOPAPJGZCKALV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(-n4ccc5cnc(-c6cc(F)ccc6F)nc54)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPUYHIFUQZCKN-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(-n4ccc5cnc(-c6cc(F)ccc6F)nc54)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUSYKCPAOSNNF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(-c4cnc5ccc(-c6cc(F)ccc6F)cn45)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPNFOPVBSVHOOE-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(-c4cnc5ccc(-c6cc(F)ccc6F)cn45)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKGIDMTUICHIP-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(N4CCn5ccc(-c6cc(F)ccc6F)c54)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSJSMAYJGSFDSF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3nccc(Nc4ccnc(-c5cc(F)ccc5F)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDFZWJGIFBXFLG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc(Nc3ccnc(-c4cc(F)ccc4F)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDUMPVQRUQRQG-QHHAFSJGSA-N", "SMILES:CS(=O)(=O)c1ccc(/C=C/C2CC(Nc3ccnc(-c4cc(F)ccc4F)c3)=CC=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWAWLQLFAIHPQT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccccc5)c4)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXSCQGMBFODPHP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccccc5F)c4)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRFJCPMCGOCPJE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5cccc(F)c5)c4)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWWRMDBDEKIWBK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccc(F)cc5)c4)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAPZPMQKNTGJW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(Nc2ccnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYDDFPZEAIUBBH-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(Nc3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc34)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAKHLSWGKMMVJL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(Nc3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc34)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPNFJNZLHNIHC-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2cc(Nc3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc34)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJRJPOHSZQOBV-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cc(Nc3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc34)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZDXWSUBYMZII-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc(Nc3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc34)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPUDOGTYFUPFV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccoc5)c4)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVYYIZIMGWGNQB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccnc(-c5ccsc5)c4)ccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDNNBDHDQBCMC-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccccc5)c4)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBNEDDJBRLASN-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccccc5F)c4)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFMRWYHXGBJCCC-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5cccc(F)c5)c4)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLIYYGGQNXNZFH-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccc(F)cc5)c4)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHJYWHFIWPSNB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(Nc2ccnc3cc(-c4cnn(CCN(C)C)c4)ccc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VICAQGVISLDXME-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMERNMUWARHNNT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKLCJFFSSCMEY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEAVNRVYGKPHOX-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVQGYXZCNKGDEN-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccc(C(C)(C)C)cc5)c4)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULMJOBGKUKPBKO-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccoc5)c4)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDRFBFCKKOITJI-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccsc5)c4)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSRYXGSLNYBDRQ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJRPJIUYSGGEL-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC4)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSZFIXAMFNNRKS-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC43CC3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHLCHQPRLSQDW-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCN(C)C4)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEZZPDXXYVAZKH-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CN(CCO)CC4)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNQZUXXRGOTBT-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQFJESBYBZTGIK-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC43CC3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKXXNRVRUOVDT-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAKALCNZAUINGU-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)C(O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWYDEZAQBAYBF-MUUNZHRXSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@](C)(O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWYDEZAQBAYBF-NDEPHWFRSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@@](C)(O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVXRCJNQGRCWDP-MHZLTWQESA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@](O)(C(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSKCFXQIGSPND-MUUNZHRXSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@@](O)(C(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURQKJCVFGGRBZ-MHZLTWQESA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@@](C)(O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLOKBGPIUNHTP-LJAQVGFWSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(c1)[C@@](C)(O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXTSYWDBUVRXFF-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)C(O)(CC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFFMKFEFPQPLK-SSEXGKCCSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@](O)(C1CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNWUOCGVAIJME-GDLZYMKVSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@](C)(O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHIJYOQGUIUEDJ-SSEXGKCCSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZHMUHKFXIPSLJ-GDLZYMKVSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@@](N)(CC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPUSBTOJWMYYDF-GDLZYMKVSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc2n1-c1ccc2c(n1)[C@](C)(O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSMXHUSKKQPEIK-SSEXGKCCSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSGMZSNBBYMCF-MUUNZHRXSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLISMNIPEVVNCP-JGCGQSQUSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(ccn4C4CCN(C)CC4)c3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCJRKXQUAGNADJ-JGCGQSQUSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3cc(N4CCN(C)CC4)c4ccn(C)c4c3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXQGKTBZUCZLKG-GDLZYMKVSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3cccc(N4CCN(C)CC4)c3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLMFJIKGOXJZEV-HHHXNRCGSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC43CC3)nc2n1-c1ccc2c(n1)[C@@](O)(C(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSKRAIYVSDBKU-GDLZYMKVSA-N", "SMILES:CC[C@@]1(O)CCc2ccc(-n3c4nc(Nc5ccc(N6CCN(C)CC6)cc5)ncc4c(=O)n3CC=C(F)F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSKUGBRXJRFAE-SSEXGKCCSA-N", "SMILES:CC[C@@]1(O)CCc2ccc(-n3c4nc(Nc5ccc(N6CCN(C)CC6)cc5)ncc4c(=O)n3CC3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTMPVFKQATMIS-LURJTMIESA-N", "SMILES:Nc1ncnc2c1ncn2CCN[C@@H](CO)C(=O)NP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXXIYRDSBDIPF-SSDOTTSWSA-N", "SMILES:Nc1ncnc2c1ncn2CCCN[C@H](CP(=O)(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUNSWPLTCYYSO-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCOC(CP(=O)(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIURUPPHSOSSY-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCCOC(CP(=O)(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KATXUXXXPKCCGG-MRVPVSSYSA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)N(CCP(=O)(O)O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZNLUAFEBWFSS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncnc1Oc1cccc(C(F)(F)F)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCRDQKFYXFXHA-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(N)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZYPQJHNERDFRC-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2)c(N)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHCHQIPOLNPFZ-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1622853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWZKZHCZKIKAAC-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2cccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOBBHNJIQFDDHJ-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2ccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMUXDCKKFCHHLY-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVUIEQVUCUTHCK-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNQGYMSQALZIKW-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZFXDITRHVCFH-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWTGPWOSGYTZMT-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFZYZNSMVHQKCJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWYXJWRRAUUNH-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccc(C(N)=O)cc3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIYHNUKKXMDOV-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWKRSBLELBGGSQ-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(C3CC3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBOXESRKOBMTK-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(C(O)c3ccccc3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENXCWXVTOPLRK-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(O)c3ccccc3)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGJHCONPCVXKJ-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(O)c3ccccc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYVMBLZCJPYSX-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(OCC3CC3)c3ccccc3)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBXVQXKJLUQKAE-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(C(OCC3CC3)c3ccccc3)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMJVDQVZQMIPM-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(OCC3CC3)c3ccccc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQPEPSKLFPFIU-UHFFFAOYSA-N", "SMILES:COC(c1ccccc1)c1ccc(F)c(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBRMUSUELCGNA-UHFFFAOYSA-N", "SMILES:CCOC(c1ccccc1)c1ccc(F)c(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCLZOCFEIKBMBA-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZVPVUPSJXZCH-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(OCC3CC3)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECISELXZFBKBA-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(F)cc(C(OCC3CC3)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMAPKFCZNNYDET-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(F)c(C(OCC3CC3)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHQSQFDXMXIJU-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccn3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECDZDWRLPONSX-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(NCC3CC3)c3cccnc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHXYEKYRIWFSRY-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccncc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189739", "category": ["biolink:ChemicalEntity"], "name": "BEROTRALSTAT", "xref": ["InChIKey:UXNXMBYCBRBRFD-MUUNZHRXSA-N", "SMILES:N#Cc1cccc([C@@H](NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1"], "synonym": ["Berotralstat", "Berotralstat", "Bcx7353", "Berotralstat", "BCX-7353", "BCX7353", "Berotralstat"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4872758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPWOIBPISJWCH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSFVCHBPGOTEKX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc3[nH]cc(C(=O)NC4CCNCC4)c3cc2-c2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQHZUZKFAORSHP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc3[nH]cc(C(=O)NCC4CCNCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYBZUPMSGPLAX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc3c(c2)c(C(=O)NCC2CCNCC2)cn3CCCC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJASKFHFIAYKO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc3[nH]c(C(=O)NCC4CCNCC4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNMZAUPLZFCYGX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc3c(C(=O)NCC4CCNCC4)c[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFNBFZRZBRYTM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXPCRAZSYAHJE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc3c(C(=O)NCC4CCNCC4)c[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPNJXIPUCBYCR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc3[nH]c(C(=O)NCC4CCNCC4)nc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOWKHQIFZFLSEF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc3sc(C(=O)NC4CCNCC4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJYNHDCKNDJRTG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc3cc(C(=O)NC4CCNCC4)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYAELFLGQDDJG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc3c(C(=O)NC4CCNCC4)coc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDPOOKKDGHBEY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3c(C(=O)NCC4CCNCC4)c[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDARRSXNPFGKY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc3c(C(=O)NCC4CCNCC4)c[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLGJJBVUWKQYHL-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2cc(-c3ccc(-c4ccccc4)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGVUKMGQNPJON-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2cc(-c3ccc(CN4CCCCC4)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTVQOYJBJZPUKG-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2cc(-c3ccc(Cl)nc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISSCVJXUEYJCQT-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2cc(-c3cccnc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOBIRSUANCAJLK-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2cc(-c3ccncc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOCEXLSPDHYTJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1c[nH]c2cc(-c3ccncc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRJTLICQCQSKP-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCNCC1)c1c[nH]c2cc(-c3ccncc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHMPVRSMJMQFO-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLHRGPLTCGZQL-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2cc(-c3ccncc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIMSTCBOEOHOEM-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2cc(-c3cn[nH]c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZMRVJHUMYHHLF-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccc3[nH]c(C(=O)NCC4CCNCC4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMGRDBOPBRMFA-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2cc(-c3ccc(-c4ccoc4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWYXSHKRUVNCA-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2cc(-c3ccc(-c4ccsc4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQABDOEYIDQAT-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2cc(-c3ccc(CN4CCCCC4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVWDWJJGUOPAU-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2cc(-c3ccc(N4CCCCC4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCCAEOMFLNUNEI-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2cc(-c3ccc(N4CCCC4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKQAHTVXICRBA-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2cc(-c3ccc(N4CCOCC4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKEDDHNABFCBFO-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2cc(-c3ccc(N4CCNCC4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYBLEIMZCPYXJW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc3[nH]c(C(=O)NCC4CCNCC4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGMAWAXSKFBCBH-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ccc1-c1ccc2[nH]c(C(=O)NCC3CCNCC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEKBXFVMUZVQF-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc3[nH]c(C(=O)NCC4CCNCC4)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGTYUWBFWMETLE-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMIDXKMBMTUVCT-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccccc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDIXAZIBXPHGNJ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEGCCPFCAZRGPM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPVUMKNAHUHQX-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIPDVSHGKVLZDQ-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFPLHXFZYTISE-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDFSFRJCZDZEW-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(CO)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNHCMTSVDWNTBD-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(CCO)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZHICPYUSJYEF-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCZJHHMNLLJAA-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYAFIGZGBJEFEB-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccc(N4CCCCC4)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRRLRJCBCDLPNI-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1cc2ccc(-c3ccncc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFJAZYHCODKCAA-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccncc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTHONMPSCROEU-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3cccnc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJWAZHFSHYQNCJ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(C3=CCOCC3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZVWLKRYUBZIRV-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(C3=CCNCC3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWEVMCSWYABGOO-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3cn[nH]c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQZWVLJWBJNRF-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccsc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTTOXJPIYYZQSP-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1cc2ccc(-c3ccoc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNYECYMGPDZLX-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2cc(-c3ccoc3)c(-c3ccoc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFHBHNRUFXCLQT-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1coc2cc(-c3ccoc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDILUJONZNAQPA-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2nc(-c3ccc(C(F)(F)F)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQINDWDHLDFVAH-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2nc(-c3ccncc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPTWYQPRRUSEDY-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2nc(-c3ccc(CN4CCCCC4)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONMCLFHXUPXEU-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1c[nH]c2nc(-c3ccc(CN4CCOCC4)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJGZDAGZMPYZKM-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4c(nc5ccccc35)CCCC4)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWNBLJVFRIOUKS-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNc3c4c(nc5ccccc35)CCCC4)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVNNAMFFGOWSE-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNc3c4c(nc5ccccc35)CCCC4)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLJKUJSHLRNIN-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNc3c4c(nc5ccccc35)CCCC4)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVNXXZKRROEUAK-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCCNc3c4c(nc5ccccc35)CCCC4)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSMSTZRQCMLRV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYWHYVCSWQFNZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNCc3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWGQORRCTVXKPF-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNCc3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDELMTYTNUZKMD-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNCc3ccccc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQHRGQKGSVATEK-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3cccc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCBFXXNIMDVLV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccccc3Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTDZXMJYBRQYER-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccc(Cl)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLRDXQXCGGYEO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3cc(Cl)cc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMICITQTHHHUOJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccc(F)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XANNXNUNAWHKLB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CNCCNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRQMIJNSWPORL-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCCNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQFRQGMCBUHKU-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCCNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYCPBABJEXGVCX-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3cccc(C(F)(F)F)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTMWXFVTKPBCM-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cccc(CNCCNCCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMQWXCVAGKLDH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ccccc3c3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYPWAJIIBGPMX-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)nc(N1CCNCC1)c1cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQOVUZJNBJLBRT-UHFFFAOYSA-N", "SMILES:CNC1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIVVKHUMEJFKAC-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHTOMGVKYVMOOB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPEQZSDWFQRQIF-UHFFFAOYSA-N", "SMILES:Cc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOJVEAJNWMLNRT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHABTHCQCIQHSP-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKMRHWBCXJOAEI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKGTIWNFNPEJL-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMHQKRBZGSWSL-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOGRZICUNULLLI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUFITXOADYQFSV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVRHXIDZPWFOX-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(C(F)(F)F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAFQUNSIKOTAR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1210710", "category": ["biolink:ChemicalEntity"], "name": "SB-399885", "xref": ["InChIKey:ATKZKAYWARYLBW-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2OC)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWWVLYFQZMMHT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYRFBPSJONYCH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTUIEGUPILFAV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)c(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHYSHYMUOGRFQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Cl)c(Cl)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUVHVLFKRNNFQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cc(F)ccc1F)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYQAEVYAIKYNS-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc2ccccc12)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWACYWEAVDHPG-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1Br)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIVNSLSBRMRVPD-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(C(F)(F)F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZCWBQXJZDXLT-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVFALINPNEXRI-HNNXBMFYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N[C@H]3CCNC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOAZIKHLUAVYMB-HNNXBMFYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N[C@H]3CCNC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1189679", "category": ["biolink:ChemicalEntity"], "name": "PALONOSETRON", "xref": ["InChIKey:CPZBLNMUGSZIPR-NVXWUHKLSA-N", "SMILES:O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2"], "synonym": ["Palonosetron", "Palonosetron", "Palonosetron", "(-)-palonosetron", "Palonosetron", "Palonosetron, (3as, 3s)-", "NSC-743769"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL327197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWFHCVDXXIENW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ccccc3n3cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXYSJYAMXFWCNW-OXWOXFIQSA-N", "SMILES:NS(=O)(=O)c1ccccc1NC(=O)N/C=C/C=C/c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGVDPDFZSAWBN-OGIGCNPZSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)N/C=C/C=C/c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVJFWODHRHKNAZ-IGAJHJTCSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)N/C=C/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAKCDUIGYONMW-QIAUARBPSA-N", "SMILES:Cc1ccc(NC(=O)N/C=C/C=C/c2ccc3c(c2)OCO3)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKBNOZCUHMWATD-FOWLNKMFSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)N/C=C/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRFYBSGCABRAKM-OXWOXFIQSA-N", "SMILES:O=C(N/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBFRPCZVSFPEEW-OGIGCNPZSA-N", "SMILES:O=C(N/C=C/C=C/c1ccc2c(c1)OCO2)Nc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJQPRLRRCOLRL-IGAJHJTCSA-N", "SMILES:O=C(N/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCPSXKEQBUXRJ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)C(c1csc2ccccc12)N(C(=O)CCl)c1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIGQCRPMMZIUJA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N(C(=O)CCl)C(C(=O)NC(C)(C)C)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEROJTOSDJNKSS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXKUUCJEVSTWBL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVEFTAPXVYOINS-UHFFFAOYSA-N", "SMILES:C=CCNC(=O)C(c1c[nH]c2ccccc12)N(C(=O)CCl)c1ccc(C(=O)OCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLUBVTUCEVVIOO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2Cl)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNOWDYONYBOUJJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXGXSHAFLKUBAB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N(C(=O)CCl)C(C(=O)NCCc2cccc(Cl)c2)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATRJDKNPFHVHM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N(C(=O)CCl)C(C(=O)NCCc2cccc(OC)c2)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUGCMGABUMCQG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N(C(=O)CCl)C(C(=O)NCCc2cccc(C(F)(F)F)c2)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLALKIWACHDPJA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2csc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJNUDHWUWAERDJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYHHQLCHZQHJK-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)C(c1c[nH]c2ccccc12)N(C(=O)CCl)c1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFXXESEJSMBLP-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3c[nH]c4ccccc34)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYWKZZGMNHKNSD-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)C(c1c[nH]c2ccccc12)N(C(=O)CCl)c1ccc(-c2nnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRVFBYHCQGAGW-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3csc4ccccc34)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWMRMCJGHSVWEM-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)C(c1csc2ccccc12)N(C(=O)CCl)c1ccc(-c2nnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXTGDFJKZHEOKD-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCCCC(=O)NO)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLJFPDJEZABMJB-UHFFFAOYSA-N", "SMILES:CNC(=O)CCCCCCCn1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUDTDCWAOYANI-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCCCCCCC(=O)NO)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYNPRJDZKCDHDH-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCCCCCCCC(=O)NO)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIDWNBURIJNJL-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVWTDOPVYBALN-UHFFFAOYSA-N", "SMILES:CNC(=O)CCCCCCCn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARDWVIIRTDNEHG-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2CCCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSRXOWYVEYAJGD-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2CCCCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUNBZMIRGDCDMI-BUHFOSPRSA-N", "SMILES:O=C(/C=C/c1ccc(CN2c3ccccc3Sc3ccccc32)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGAOFJJXEWRQTK-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(CN2c3ccccc3Sc3ccccc32)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AICGAVMJIPTTAU-UHFFFAOYSA-N", "SMILES:O=C(NO)c1coc(CN2c3ccccc3Sc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKILUTGCNNQKON-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2c3ccccc3Sc3ccccc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZOJQVXYXQOZQF-DFDFAMMDSA-N", "SMILES:C[C@]12CC3CC(NCc4ccc(C(=O)NO)cn4)(C1)C[C@@](C)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPAJIUVDHMMEBG-ODNNXGBQSA-N", "SMILES:CN(Cc1ccc(C(=O)NO)cn1)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOMNVPNGBVDPG-NJMHRBNOSA-N", "SMILES:CCCN(Cc1ccc(C(=O)NO)cn1)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJUEOVKTYXNSV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cn2)CCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPVJPHCAMABIW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cn2)CCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGYBRQMPFDGRF-UHFFFAOYSA-N", "SMILES:Cl.O=C(NO)c1ccc(CN2c3ccccc3Sc3ccccc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGVZFLDKNPTAP-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1C(CCC(=O)O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJVRLGCIDUACTA-GUYCJALGSA-N", "SMILES:CCCCC1=C2CCC[C@@]2(C)CC[C@@H]1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQGSFZQODQELE-LRDDRELGSA-N", "SMILES:CCCC1=C2CCC[C@@]2(C)CC[C@@H]1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMDKGCOOUTYIT-MDVIOIQYSA-N", "SMILES:CCCC1=C2CCC[C@@]2(C)CC[C@@H]1CC/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJVRLGCIDUACTA-CXAGYDPISA-N", "SMILES:CCCCC1=C2CCC[C@]2(C)CC[C@H]1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGZDXBHZFWXID-UHFFFAOYSA-N", "SMILES:CCn1c(-c2ccccc2)c(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOJDUFWINGDJI-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1571747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXZOESBZOHFYIS-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1cc(O)n(-c2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAULVLGSZJFJIA-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(O)n(-c2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUDJOXYIXXMQT-UHFFFAOYSA-N", "SMILES:COC(=O)CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOFEHKUTDPGBE-UHFFFAOYSA-N", "SMILES:COC(=O)CCc1nn(-c2nc3ccccc3[nH]2)c(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZKRJOOQKWROZ-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBHIYCIWHSKEOL-UHFFFAOYSA-N", "SMILES:Cc1c(CCC(=O)O)nn(-c2nc3ccccc3[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNMWTYPZXFENM-UHFFFAOYSA-N", "SMILES:CNC(=O)CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVMBAVKLWZWPKE-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1CCC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXYVWUNKGZZXLA-UHFFFAOYSA-N", "SMILES:CNCCCc1c(C)nn(-c2nc3ccccc3[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGMGSMPCXYVTA-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1CCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQGOPKPXOVKDA-UHFFFAOYSA-N", "SMILES:Cc1cc(O)n(-c2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFPXJCACSYPLT-UHFFFAOYSA-N", "SMILES:C=CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUVXZPKDTZNQC-UHFFFAOYSA-N", "SMILES:CCCc1c(C)nn(-c2nc3ccccc3[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFJDKZXTBTVTJ-UHFFFAOYSA-N", "SMILES:C#CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGIRLDYHTMQKEV-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPHEDRGFRZVCM-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVJUARYBVANAJW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C)nn(-c3nc4ccccc4[nH]3)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTXHQIULOCOKT-UHFFFAOYSA-N", "SMILES:CCc1nn(-c2nc3ccccc3[nH]2)c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLZBEPIQXHYIE-UHFFFAOYSA-N", "SMILES:CCCCc1nn(-c2nc3ccccc3[nH]2)c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNMPDQKBQRDHQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)n(-c2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1398171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGYRGRPALXURFX-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOIXGWYQPKAYBK-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccccc3s2)c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEBLICHHGVPXQR-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccccc3n2C)c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATERHBGJBVKZCM-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccn2)c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFZXSSLWDZKHE-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccn2)c(O)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLYSFIZHHDPTAR-UHFFFAOYSA-N", "SMILES:C=CCc1c(C)nn(-c2ccccn2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGLJWOYPBGJST-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)nn2)c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHWZBCVXVNAWFM-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccc(C(=O)O)cc3[nH]2)c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOOSFWZUITZGFV-OLZOCXBDSA-N", "SMILES:O=C(Nc1nc2ccc(-c3ccccc3)cc2s1)[C@@H]1C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCOCLRMEDNBHU-KGLIPLIRSA-N", "SMILES:Cc1ccccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJNDHMLCCSUIL-NEPJUHHUSA-N", "SMILES:O=C(Nc1nc2ccc(-c3cccnc3)cc2s1)[C@@H]1C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYOHCINVWJKASV-NEPJUHHUSA-N", "SMILES:Cc1cccnc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKZDNADJKPOGH-FZIZHOOBSA-N", "SMILES:Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBWUWNCAYBXLJD-OLZOCXBDSA-N", "SMILES:Cc1cnccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPZLTPAKFRLZIT-OLZOCXBDSA-N", "SMILES:Cc1ncccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRZXAMJJSHRYFC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(-c3cnccc3C)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHDSITICBSAFEJ-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGIEQXDGLYLDV-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAAHEJINVUMYJE-OJERSXHUSA-N", "SMILES:Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3CO)sc2c1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPDSGVRAVXMPDR-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccc2nc(NC(=O)C3CCC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKZDNADJKPOGH-VZCPBZATSA-N", "SMILES:Cc1ccncc1-c1ccc2nc(NC(=O)[C@H]3C[C@H]3F)sc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKZDNADJKPOGH-IZUPTLQPSA-N", "SMILES:Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@H]3F)sc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKZDNADJKPOGH-JBUFHSOLSA-N", "SMILES:Cc1ccncc1-c1ccc2nc(NC(=O)[C@H]3C[C@@H]3F)sc2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGTMUYRFBOBNSY-KOLCDFICSA-N", "SMILES:Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPVAXXSXEWTWEU-BOTBFRDUSA-N", "SMILES:Cc1ccncc1-c1cc(F)c2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNIHISCHBMYLW-BOTBFRDUSA-N", "SMILES:Cc1ccncc1-c1cc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2cc1F.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYDXEOCUWPNWBT-PWSUYJOCSA-N", "SMILES:COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFGYQQVRCXNLW-QVJGMPPOSA-N", "SMILES:O=C(Nc1nc2ccc(-c3cnccc3C(F)(F)F)cc2s1)[C@@H]1C[C@@H]1F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCQCGGOVSEMRM-SKDRFNHKSA-N", "SMILES:O=C(Nc1nc2ccc(-c3cnccc3Cl)cc2s1)[C@@H]1C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKAHQPIQIWHRX-FZIZHOOBSA-N", "SMILES:N#Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFQQSYDMGWRPAN-PWSUYJOCSA-N", "SMILES:Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBZOMWZVTZAYLZ-OLZOCXBDSA-N", "SMILES:Cc1ccnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPXSIHKYQLDFY-DAIKJZOUSA-N", "SMILES:Cc1cc(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AURDXVZCKOOXRQ-YPMHNXCESA-N", "SMILES:Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZDNJJFDMNJYIF-YLAFAASESA-N", "SMILES:Cc1cccc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQXOMPNJSBHBJQ-DFQHDRSWSA-N", "SMILES:Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKVUFPIGNWZSY-SCZZXKLOSA-N", "SMILES:O=C(Nc1nc2ccc(-c3cncnc3C(F)(F)F)cc2s1)[C@@H]1C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOBUULBMQVJJLF-LYCTWNKOSA-N", "SMILES:Cc1ncnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYLLHHUJRGWQAR-BDAKNGLRSA-N", "SMILES:O=C(Nc1nc2ccc(-c3cc[nH]n3)cc2s1)[C@@H]1C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQCXVTLDPXWJKN-ZJUUUORDSA-N", "SMILES:Cc1c[nH]nc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTWNLNNRONCXIW-DHXVBOOMSA-N", "SMILES:Cc1ccsc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPWKBHJNJRYEG-ZJUUUORDSA-N", "SMILES:Cc1scnc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFGRZTZZLREYOY-OXPNAJOUSA-N", "SMILES:Cc1csc(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3c2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWLVFRSQXWHQO-YLAFAASESA-N", "SMILES:Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1569082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDPQZGXLYBPJGK-UHFFFAOYSA-N", "SMILES:Cc1nc2c3ccccc3nc(O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVWWFFZNOCKSI-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c3ccccc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMSKTBAJWFWNO-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(=O)n3nc(C(C)C)nc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXAHBMLWTZGSMK-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(Br)ccc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUSPGVKIHGHBC-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccnn4C)ccc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURWMKIIRLXJSR-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccncc4C)ccc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVCGQQIXWKQAF-UHFFFAOYSA-N", "SMILES:Cc1nc2c3ccc(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSGDHNBIMYPOB-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c3ccc(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCUHYKMSGMLCKW-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c3cc(Cl)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJUXPMNEXTYBJ-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c3cc(Br)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVTXWRGKBOWNPA-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccncc4C)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMQKTDVVSMSBCL-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)O)cnc2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXQMNTDEPAOBRK-UHFFFAOYSA-N", "SMILES:Cc1nc2c(c(=S)[nH]1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1610810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBBSNWDUAULUOZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3ncccc3o2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1462057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQCRCQLETCLZLO-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=S)[nH]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCDGNLHIXCYUNA-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nn3cnnc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZRHEROEPICLRO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(C#N)c(=S)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2132792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCNIABDOGCPGS-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cc(=O)n(C)c(=O)n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1576751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABBDRVWPQJHQQV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIVDMIUXUREQM-UHFFFAOYSA-N", "SMILES:Cc1cnccc1-c1cc2c(cc1Cl)[nH]c(=O)n1nc(CNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZFBLYGBZLKADP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cc3c(cc2Cl)[nH]c(=O)n2nc(CNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)nc32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPUURQILYNSHM-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccccc4C)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIPFYOTLZZFIS-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccncc4)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUHXFWYBLHWPTO-UHFFFAOYSA-N", "SMILES:COc1cnccc1-c1cc2c(cc1Cl)[nH]c(=O)n1nc(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARPHPJVBZDTLAH-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4cccc5[nH]ccc45)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONLWSDCGZVNHLU-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccnc5[nH]ccc45)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPYQOIAIZBWXMY-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIERDGGZZPUPGJ-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccc(N)cc4)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAACRISLJQBDQB-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccc(N)cc4C)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCMHKQAMJRWNA-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccc(NS(C)(=O)=O)cc4)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLHNWOAGRKZEE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc3c(cc2Cl)[nH]c(=O)n2nc(C)nc32)ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHJGTCREGIOSM-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccc(NS(C)(=O)=O)cc4Cl)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXWRFWXLZLLXSL-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccc(NS(C)(=O)=O)cc4C)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLECQZJAABMWBT-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccc(NS(C)(=O)=O)cc4F)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNEOVZQFJHXASB-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1ccc(-c2cc3c(cc2Cl)[nH]c(=O)n2nc(C)nc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDFVGVHKKUOFT-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccc(NS(=O)(=O)c5ncc[nH]5)cc4C)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWYLMDOHWSQNG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(-c3cc4c(cc3Cl)[nH]c(=O)n3nc(C)nc43)c(C)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSRODCXBFOPMA-UHFFFAOYSA-N", "SMILES:Cc1nc2c3cc(-c4ccc(NCc5ncc[nH]5)cc4C)c(Cl)cc3[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPIWXOGBMHHMF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANMWHOVTHYIFD-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(F)cc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKIGCOQVAUXEZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZMFSHGWPZNOJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXESQLLDUQBSCB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDTPZGOVQRREQN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWWCNBVZAPXISR-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKFIWUGFWZAWGJ-UHFFFAOYSA-N", "SMILES:CNc1ccc2c(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMTVDQQHJBWAE-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITAMLFAXYXDFF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3cc(N4CCCC4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1277162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHQJQTUHXYIGKP-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYPCSBVYNFEVDY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFEOZUNIWODWAJ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccccc4Cl)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVFCDXDOOMOKY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYUBWHIXNWCPO-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTDQITDQFHRYJC-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)Nc1ccc(Oc2ncnc3cc(N(C)C)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAPNCHYRQXKAO-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTWJZWFAMFOLDK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYPSNMAIUMVVLO-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALQHJWDDNRWEMA-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYEYQQPNCFWLBM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFYTWGXUSXMWIC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)Nc1ccc(Oc2ncnc3cc(N(C)C)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPAZHWONHRMZOQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKEYKLJJTYBXPA-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCCc4ccccc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEOAGVPAEKWPIW-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(S(N)(=O)=O)cc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHVBLGCKKMQNAF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C#N)cc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGUIKCSKPKYQQL-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)cc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMLTJAJYAJQHR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOBCSOMEJFXEU-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJODAFJCYVGVPU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4c(F)c(F)c(F)c(F)c4F)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZAMADOXVUSMOR-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4cccnc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVAQBRNPLXZEND-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRHGQMIXCBRQP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIYGQQPVHZBHI-UHFFFAOYSA-N", "SMILES:CC(NC(=O)Nc1ccc(Oc2ncnc3cc(N(C)C)ccc23)cc1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGJHCVYSLKGIDZ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4nccs4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJCLKLSVZHLQY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccn(C)n4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORYMWWSJZRCUSV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPFDGWALWEPGS-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVLETOTGHDVPQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPQVMJBOZXWART-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3cc(F)ccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVSQJNDBGVYPR-UHFFFAOYSA-N", "SMILES:CCCCCC1(C)CC(c2ccc(C)cc2)=C(C#N)C(=O)N1"]}
{"name": "Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2321630"], "id": "UniProtKB:Q10469", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOLUTAGRGNFEY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C#N)C(=O)NC(C)(c3ccc(C)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPDLFGWFXCTNMX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(C)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRGTEYSSRUWND-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1(C(F)(F)F)CC(c2ccc(C)cc2)=C(C#N)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAIQMICSZYVISL-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(C(F)(F)F)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWJSLVALDGJEQA-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(C(F)(F)F)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWGRXKTWGGZGSR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(C(C)(C)C)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3977988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAVKYOTVUULMOY-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(C2(C(F)(F)F)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZFMNKQUHNEMQA-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C2(C(F)(F)F)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQXSGSIJXJWQFI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBACZIGNMMQGOU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASJTTWQXRPDGGS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCC(C)C)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3985062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYUTJRXSWJAAZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCc4ccccc4)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBURRHDDIZWLSV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(Oc4ccccc4)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBDWYUBHNPWBQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C3(C(F)(F)F)CC(c4ccc(C)cc4)=C(C#N)C(=O)N3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADSGJCJBFIDIRG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(-c4ccccn4)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWCRCUUZMVWAHP-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYWPMFOCUUFDZ-UHFFFAOYSA-N", "SMILES:N#CC1=C(c2ccccc2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJXXFHZCUPRNDM-UHFFFAOYSA-N", "SMILES:N#CC1=C(c2ccc(F)cc2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBEMZAMNFXVLBB-UHFFFAOYSA-N", "SMILES:N#CC1=C(c2ccc(Cl)cc2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDFSXUYDYSASSJ-UHFFFAOYSA-N", "SMILES:N#CC1=C(c2ccc(C#N)cc2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEMIMKHKUITFJX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHXYECBSEFNZDA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEZDTOOCZWOCMC-UHFFFAOYSA-N", "SMILES:N#CC1=C(c2ccc(OC(F)F)cc2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVUELUBRNMKQI-UHFFFAOYSA-N", "SMILES:N#CC1=C(c2ccc(OC(F)(F)F)cc2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLPETRTIGGOJW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C(=O)NCCc3ccccc3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOTADNPUQOERCL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(C(=O)Nc3ccccc3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNSPLWDCCNBIF-LJAQVGFWSA-N", "SMILES:COc1ccccc1NC(=O)C1=C(c2ccc(C)cc2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYXAWQMDJIGRJC-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)C2=C(c3ccc(C)cc3)CC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBBPRPJENPWDPL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2=C(c3ccc(C)cc3)CC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBBPRPJENPWDPL-LJAQVGFWSA-N", "SMILES:COc1ccc(NC(=O)C2=C(c3ccc(C)cc3)C[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKAVUAJEZWYTNG-NDEPHWFRSA-N", "SMILES:Cc1ccc(C2=C(C(=O)Nc3ccc(OC(F)(F)F)cc3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOMODSSKPMREJ-MHZLTWQESA-N", "SMILES:COc1cnc(NC(=O)C2=C(c3ccc(C)cc3)C[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFCNJXKMJWZAX-MHZLTWQESA-N", "SMILES:COc1ccc(NC(=O)C2=C(c3ccc(C)cc3)C[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVMXTEFREPVTMM-NDEPHWFRSA-N", "SMILES:COc1ccc(NC(=O)C2=C(c3ccc(C)cc3)C[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQKAOQQZWUBBS-NDEPHWFRSA-N", "SMILES:COc1ccc(NC(=O)C2=C(c3ccc(C)cc3)C[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZSSLSQCVDHAA-SANMLTNESA-N", "SMILES:Cc1ccc(C2=C(C(=O)Nc3ccn(C)n3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODHOEYOHFTVHML-QHCPKHFHSA-N", "SMILES:CNC(=O)C1=C(c2ccc(C)cc2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGVPRSKJBAHSEV-VWLOTQADSA-N", "SMILES:Cc1ccc(C2=C(C(=O)NC3CC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIAUNQRXZWUVQT-SANMLTNESA-N", "SMILES:Cc1ccc(C2=C(C(=O)NC3CCC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQVSECDLCXZASP-MHZLTWQESA-N", "SMILES:Cc1ccc(C2=C(C(=O)NC3CCCC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWVFKGYTPVIRB-NDEPHWFRSA-N", "SMILES:Cc1ccc(C2=C(C(=O)NC3CCCCC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912712", "category": ["biolink:ChemicalEntity"], "name": "BMS-963272", "xref": ["InChIKey:AEMPUAWUDAMJBV-QFIPXVFZSA-N", "SMILES:Cc1ccc(C2=C(c3nn[nH]n3)C(O)=N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"], "synonym": ["Bms-963272"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZWJXDOSMQTGI-QHCPKHFHSA-N", "SMILES:CCCCSc1ccc([C@]2(C(F)(F)F)CC(c3ccc(C)cc3)=C(c3nnn[nH]3)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDTBBCYKVUPOTQ-QHCPKHFHSA-N", "SMILES:CCCCOc1ccc([C@]2(C(F)(F)F)CC(c3ccc(C)cc3)=C(c3nnn[nH]3)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTWMJZSCKPEHW-QHCPKHFHSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(CCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLSODLVHDAKAN-FQEVSTJZSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTNRKFSHXGHJFJ-NRFANRHFSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQAAUQSVBJCIAT-QHCPKHFHSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDLHNOKAVCEXRE-DEOSSOPVSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZJHTGVMRWRAHB-QHCPKHFHSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)c(C)c3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYUPLDIFIXZWGE-QFIPXVFZSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)c(F)c3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMQSLNUHHZIGAS-QFIPXVFZSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINAPCCFQTUIHN-DEOSSOPVSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)c(F)c3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTTUFYOAXZGQBD-DEOSSOPVSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)cc1"]}
{"name": "Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2375203"], "id": "UniProtKB:Q921V5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4879456"], "id": "UniProtKB:Q09326", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFMKIDRZHBZULH-FTCCNZMVSA-N", "SMILES:O=C(CCCO/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccccc2/1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLNXOSMRTVVRE-KZUJFRSNSA-N", "SMILES:C#CCN1C(=O)/C(=C2\\Nc3ccccc3\\C2=N/OCCCC(=O)NO)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMKFPQYBKHCOM-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccn(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGXUBNJTSDKMNH-OQIWPSSASA-N", "SMILES:NC(=O)c1cccc(-c2cnc(NC[C@]3(c4ncccc4F)C[C@H](F)C3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBHZYHFCSDQQK-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccn(-c2cnc(NCC3(c4ncccc4F)CCC3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONTVPTLKNCVJAR-VVOJOOEHSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc(NC[C@]3(c4ncccc4F)C[C@H](F)C3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYHIBVAHSWEEK-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC(C(=O)NO)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXOCTLMVBIGSKH-VIFPVBQESA-N", "SMILES:COc1ncc(F)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCGWZOOSJWALQR-UHFFFAOYSA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOSKEENHXNOABQ-UHFFFAOYSA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCOLITULJJMES-LLVKDONJSA-N", "SMILES:COC[C@@H](C)n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCOLITULJJMES-NSHDSACASA-N", "SMILES:COC[C@H](C)n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCYJLANTBOIPFX-NSHDSACASA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H]2CCOC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCYJLANTBOIPFX-LLVKDONJSA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCOC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOAVBNDXAXMDDN-UHFFFAOYSA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOAVBNDXAXMDDN-VIFPVBQESA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOAVBNDXAXMDDN-SECBINFHSA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRFOZBZJLXWIH-SECBINFHSA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRFOZBZJLXWIH-VIFPVBQESA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRADBYWOOKSYIL-UHFFFAOYSA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VALHFEBMDQQHJF-UHFFFAOYSA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZYYCSXTFQLSV-UHFFFAOYSA-N", "SMILES:COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2CCC2(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVQTVQBRVPPOQY-JTQLQIEISA-N", "SMILES:CCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNDIVRSVHDQEKL-NSHDSACASA-N", "SMILES:COc1nn(CC2CC2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXWUXPKKSJLAJZ-VIFPVBQESA-N", "SMILES:COc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKFPXXSISGYYFB-NSHDSACASA-N", "SMILES:COCCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQZOGNJUMXTRN-NSHDSACASA-N", "SMILES:COc1nn(-c2cnccn2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOLIHTQGCBSUGT-NSHDSACASA-N", "SMILES:COc1nn(-c2cccnn2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNQDYFVFPUFLJ-NSHDSACASA-N", "SMILES:COc1ccccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQUIDLJDDHLGM-LBPRGKRZSA-N", "SMILES:C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3c2OCCN3C)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBHUNJDTZCDBGA-LBPRGKRZSA-N", "SMILES:C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3cccnc23)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKOPVGNIFBUBBW-NSHDSACASA-N", "SMILES:C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3nccnc23)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLEICJLPZWEFTH-JTQLQIEISA-N", "SMILES:COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYMSJGLPMXFDW-JTQLQIEISA-N", "SMILES:C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccn(C)c2=O)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMELJVPICZIIPB-VIFPVBQESA-N", "SMILES:COc1ncncc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAAXYPWUQKUIHK-NSHDSACASA-N", "SMILES:COc1ncc(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCWGZMAUYPELSW-URXFXBBRSA-N", "SMILES:CN(C[C@@H]1Cc2c(cccc2NC2CCNCC2)CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNABJTWQQVNLL-QPPBQGQZSA-N", "SMILES:CN(C[C@H]1Cc2c(cccc2N2CCC(N)CC2)CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKKUTHNPNXBEHD-XAISMOLKSA-N", "SMILES:CN(C[C@H]1Cc2c(cccc2N[C@H]2CC[C@H](N)CC2)CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYOSGWBSYGBOO-GJZUVCINSA-N", "SMILES:CN1CCC(N(C)c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRZQSSHPSOLJFR-GJZUVCINSA-N", "SMILES:CN(C)C1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWVXBQDFIMNCL-URXFXBBRSA-N", "SMILES:CN1CCN(Nc2cccc3c2C[C@@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4853570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMZNSQMZQDCPCI-FFHOAYQKSA-N", "SMILES:CN(C[C@H]1Cc2c(cccc2N2C[C@H]3CNC[C@H]3C2)CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCZFPWXLAWWED-VUMQFKOGSA-N", "SMILES:CN1C[C@@H]2CN(c3cccc4c3C[C@H](CN(C)[C@H]3CCCc5cccnc53)NC4)C[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHFZBBVTDMZDR-PWGHIRGTSA-N", "SMILES:CN(C[C@H]1Cc2c(cccc2N2C[C@H]3CCN(C)[C@H]3C2)CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHFZBBVTDMZDR-MRGHISEYSA-N", "SMILES:CN1CC[C@H]2CN(c3cccc4c3C[C@H](CN(C)[C@H]3CCCc5cccnc53)NC4)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADYXBCCUUZUBGE-RQTOMXEWSA-N", "SMILES:CN(C)[C@@H]1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADYXBCCUUZUBGE-SLSDLSHTSA-N", "SMILES:CN(C)[C@H]1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCWGZMAUYPELSW-QPPBQGQZSA-N", "SMILES:CN(C[C@H]1Cc2c(cccc2NC2CCNCC2)CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMGUBVJXVAZNT-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(N)c(Cl)cc(Cl)c4F)c(Cl)cc23)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUSEXGILYGCCV-HDICACEKSA-N", "SMILES:C=CC(=O)N1[C@H](C)CN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(N)c(Cl)cc(Cl)c4F)c(Cl)cc23)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKZPLBFYOPPFIH-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(N)c(Cl)cc(Cl)c4F)c(Cl)cc23)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNSEKBMYPAXNN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(N)c(Cl)cc(Cl)c4F)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMGUBVJXVAZNT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(N)c(Cl)cc(Cl)c4F)c(Cl)cc23)CC1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVMFIYXYKYNCY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C(C)C)ncnc3C(C)C)c3nc(-c4c(N)c(Cl)cc(Cl)c4F)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLDPJSSOJWLRRP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHUBNSPYEJDRRB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C(C)C)ncnc3C(C)C)c3nc(-c4c(N)cccc4F)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVDARLQVJBVTRW-UHFFFAOYSA-N", "SMILES:Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCN4CCC5)nc3c2F)c2c(Cl)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYPNKVDMZEUOJ-UHFFFAOYSA-N", "SMILES:C#Cc1cccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXDXCCNNAIBHQ-UHFFFAOYSA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVNRYKTWPMSGZ-ADTQRWQWSA-N", "SMILES:C#Cc1cccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIWUMQJXXEDJJ-UHFFFAOYSA-N", "SMILES:Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCN4CCC5)nc3c2F)c2c(Cl)c(F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNHZGPOIOCMPM-XWRDYELXSA-N", "SMILES:Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(F)c(F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MREIKMRVSAOCHR-RMIANRRMSA-N", "SMILES:Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(Cl)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858364", "category": ["biolink:ChemicalEntity"], "name": "MRTX-1133", "xref": ["InChIKey:SCLLZBIBSFTLIN-IFMUVJFISA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"], "synonym": ["Mrtx-1133", "Mrtx1133"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFFILOKDRHONU-IFMUVJFISA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFYKSLQATOYGLJ-UHFFFAOYSA-N", "SMILES:Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCN4C(CF)CC5)nc3c2F)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUFBWSIWWODTQL-UHFFFAOYSA-N", "SMILES:COC1CN2CCCC2(COc2nc(N3CC4CCC(C3)N4)c3cnc(-c4cc(O)cc5cccc(F)c45)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVAMKIXXJNRTJ-ZTWOUGIMSA-N", "SMILES:Fc1c(-c2cccc3c2CC2CC32)ncc2c(N3CC4CCC(C3)N4)nc(OC[C@@]34CCCN3C[C@H](F)C4)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUELFGPQUNTLPY-FXBDTBDDSA-N", "SMILES:NC[C@H]1[C@@]2(CCCB(O)O)CCN[C@@]12C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSHBQGBITTZRSF-VHSXEESVSA-N", "SMILES:O=C(O)[C@]12CC[C@@]1(CCCB(O)O)CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJKDDYBUBIYIMQ-NXEZZACHSA-N", "SMILES:O=C(O)[C@]12CNC[C@@]1(CCCB(O)O)CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVDELGPCBFNNZ-QXFUBDJGSA-N", "SMILES:O=C(O)[C@]12CCN[C@H](CN1)[C@@H]2CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFBRGSZHMJBLV-QXFUBDJGSA-N", "SMILES:O=C(O)[C@]12CCN[C@H](C1)[C@@H]2CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBPNHDTYMXWDKU-OOZYFLPDSA-N", "SMILES:O=C(O)[C@H]1NC[C@@H]2NC[C@@]21CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFERAFDQYGMSEU-OOZYFLPDSA-N", "SMILES:O=C(O)[C@H]1NC[C@@H]2SC[C@@]21CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSAMXQQWSGPTCK-XKSSXDPKSA-N", "SMILES:O=C(O)[C@H]1NC[C@@H]2NCC[C@@]21CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGHVARIKMTJCW-MRTMQBJTSA-N", "SMILES:O=C(O)[C@H]1NC[C@@H]2COC[C@@]21CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4845730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKFZEMAZWLADQI-UMNHJUIQSA-N", "SMILES:COC(=O)[C@H]1NC[C@@H]2NCCC[C@@]21CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEJATOJXZTURBJ-IBCQBUCCSA-N", "SMILES:C[C@]1(CCCB(O)O)[C@@H](C(=O)O)N[C@H]2C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTIXQPQJAUDDDI-YSSBGUOXSA-N", "SMILES:C[C@]1(CCCB(O)O)[C@@H](C(=O)O)N[C@@H]2CC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWZKICQJOZRYHL-UUMBHDIKSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)NCCCc3cn(CC(CO)(Cn4cc(CCCNC(=O)[C@]56CCC(C)(C)C[C@H]5C5=CC[C@@H]7[C@@]8(C)CC[C@H](O)C(C)(C)[C@@H]8CC[C@@]7(C)[C@]5(C)CC6)nn4)Cn4cc(CCCNC(=O)[C@]56CCC(C)(C)C[C@H]5C5=CC[C@@H]7[C@@]8(C)CC[C@H](O)C(C)(C)[C@@H]8CC[C@@]7(C)[C@]5(C)CC6)nn4)nn3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVIAYJKLJWDHV-BZMFWWFESA-N", "SMILES:CC1(C)CC[C@]2(C(=O)NCCCCc3cn(Cc4cc(Cn5cc(CCCCNC(=O)[C@]67CCC(C)(C)C[C@H]6C6=CC[C@@H]8[C@@]9(C)CC[C@H](O)C(C)(C)[C@@H]9CC[C@@]8(C)[C@]6(C)CC7)nn5)cc(Cn5cc(CCCCNC(=O)[C@]67CCC(C)(C)C[C@H]6C6=CC[C@@H]8[C@@]9(C)CC[C@H](O)C(C)(C)[C@@H]9CC[C@@]8(C)[C@]6(C)CC7)nn5)c4)nn3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEXIWATCZIZEH-SHNFIKKFSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(OCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCCCCCCNC(=O)c2cc(C(=O)NCCCCCCNC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CCCCOC3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)cc(C(=O)NCCCCCCNC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CCCCOC3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)c2)(C(=O)O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWPLUGXJUMQLE-UMMVMLMMSA-N", "SMILES:CCOC(=O)/C(=C/CC/C(C)=C/CCC1(C)CCc2cc(OCc3ccc(F)cc3)ccc2O1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFMROWWCOUZMEG-LTKRYEFHSA-N", "SMILES:CCCOc1ccc2c(c1)CCC(C)(CC/C=C(\\C)CC/C=C(\\OCC)C(=O)OCC)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDZOXUSWZDUMX-REVYOCETSA-N", "SMILES:CCO/C(=C\\CC/C(C)=C/CCC1(C)CCc2cc(OCc3ccccc3)ccc2O1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVOYEJCEGZLSFO-GDFAGQPMSA-N", "SMILES:CCOC(=O)/C(=C/CC/C(C)=C/CCC1(C)CCc2cc(OCc3ccccc3)ccc2O1)OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGWCSYMDMQCNT-WWCVEJJESA-N", "SMILES:CCOC(=O)/C(=C/CC/C(C)=C/CCC1(C)CCc2cc(OCc3ccccc3)ccc2O1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMRDNJRRGIPLC-WNFQYIGGSA-N", "SMILES:CC1(CC/C=C(\\OCC(F)(F)F)C(=O)O)CCc2cc(OCc3ccccc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4864475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDXOIPIGVHCNK-RMORIDSASA-N", "SMILES:CCOC(=O)/C(=C/CCC1(C)CCc2cc(OCc3ccccc3)ccc2O1)OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYLCUTUNZYVAU-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QETFAMKONUZFSO-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHHHWNIYZULCAW-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPUAZEZKRZGPNA-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDQDPHDALXCMH-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cc(ccn1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHBLEBHGDWHESZ-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(o1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQKXIAMASIXWJH-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1csc(c1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYHYOBAASYQAV-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cc(cs1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFBLTKTYVFOLS-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1nc(cs1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYHTUONIJHJLH-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1sc(cc1C)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSRRTDSNYXRJQ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc1C(=O)NCc1ccc(s1)-c1ncnc3cc(sc13)-c1cnc(OC)c(c1)NS2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICNWQTVBNJGKW-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBLJXRSEYELKU-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3cc-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJAKJUVEMSSSX-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLUZOJADRKJSM-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3c(C)c-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHBDFSZOARHGLZ-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1ncnc3c(C)c-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4878958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHJIHZSXTQRCNX-UHFFFAOYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4869487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJYJGZPVGQOKOB-QGZVFWFLSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CN(CCO1)c1ncnc3c(C)c-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4866710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOKZPPHIBFZGNL-HNNXBMFYSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCN(C1)c1ncnc3c(C)c-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOKZPPHIBFZGNL-OAHLLOKOSA-N", "SMILES:COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCN(C1)c1ncnc3c(C)c-2sc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEXOPJYDVGKEF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3sc4c(-c5cccs5)ncnc4c3C)cnc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJKUMWQILWDHI-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2sc3c(-c4ccc(CNC=O)s4)ncnc3c2C)cc1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4876693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENYKQOAELQWRK-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2sc3c(-c4cccs4)ncnc3c2C)cc1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797887", "category": ["biolink:ChemicalEntity"], "name": "(S)-9s", "xref": ["InChIKey:CDJPHTNUARAVMH-VIFPVBQESA-N", "SMILES:C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538591", "category": ["biolink:ChemicalEntity"], "name": "BAY-440", "xref": ["InChIKey:FNGNFKLDKUCGLD-UHFFFAOYSA-N", "SMILES:CN(C)c1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)CC(F)(F)F)CC5)ccn4)[nH]c3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526341", "category": ["biolink:ChemicalEntity"], "name": "A-108", "xref": ["InChIKey:HEUVRFNVTLGKMZ-AREMUKBSSA-N", "SMILES:Cn1cncc1[C@@](O)(COc1ccc(C#N)cc1-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1"], "synonym": ["A-409108"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417525", "category": ["biolink:ChemicalEntity"], "name": "BI 665915", "xref": ["InChIKey:QGPXEIMWTKWHMH-DEOSSOPVSA-N", "SMILES:CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518706", "category": ["biolink:ChemicalEntity"], "name": "PF-00911705", "xref": ["InChIKey:BJRRXLJCIAUKMM-UHFFFAOYSA-N", "SMILES:CN(c1ccnc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591082", "category": ["biolink:ChemicalEntity"], "name": "SR-302", "xref": ["InChIKey:WGMNFJAFXXXRLZ-GEVKEYJPSA-N", "SMILES:CS(=O)(=O)N1CCCC(NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccc(CNC(=O)c3cnc4ccccn34)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAHNBILIYONQLX-QFIPXVFZSA-N", "SMILES:COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL111612", "category": ["biolink:ChemicalEntity"], "name": "ABT-546", "xref": ["InChIKey:OAEWNSKRLBVVBV-QSEAXJEQSA-N", "SMILES:CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC"], "synonym": ["A-216546"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091513", "category": ["biolink:ChemicalEntity"], "name": "MRK-560", "xref": ["InChIKey:WDZVWDXOIGQJIO-UHFFFAOYSA-N", "SMILES:O=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580220", "category": ["biolink:ChemicalEntity"], "name": "BAY-3827", "xref": ["InChIKey:OZFFKOSQNBBYCA-UHFFFAOYSA-N", "SMILES:CCc1ccccc1C(=O)Nc1n[nH]c2c(C)c(F)c(C3C(C#N)=C(C)N(C)C(C)=C3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165749", "category": ["biolink:ChemicalEntity"], "name": "BI 2545", "xref": ["InChIKey:ZDOBSAPHUUUOHX-OSYLJGHBSA-N", "SMILES:O=C(NC[C@@H]1[C@H]2CN(C(=O)OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]12)c1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342332", "category": ["biolink:ChemicalEntity"], "name": "A-1155463", "xref": ["InChIKey:SOYCFODXNRVBTI-UHFFFAOYSA-N", "SMILES:CN(C)CC#Cc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521594", "category": ["biolink:ChemicalEntity"], "name": "BAY-1797", "xref": ["InChIKey:CSJYMAFXYMYNCK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564312", "category": ["biolink:ChemicalEntity"], "name": "BAY-786", "xref": ["InChIKey:PZGSYNNVPNLHQG-AREMUKBSSA-N", "SMILES:O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@@H](C1CC1)N2S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4780458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFGOFIEIRLCBO-DAFODLJHSA-N", "SMILES:O=C(Nc1cccnn1)N1CC(C/C=C/c2cncc(Oc3ccc(C(F)(F)F)cn3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551344", "category": ["biolink:ChemicalEntity"], "name": "A-1210227", "xref": ["InChIKey:MIVWTBCJCNWAEJ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3-c3ccc(Cl)cc3)CC2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4630644", "category": ["biolink:ChemicalEntity"], "name": "BAY-386", "xref": ["InChIKey:RNQODBQYMXYMCT-SJORKVTESA-N", "SMILES:O=C(N1CCS(=O)(=O)CC1)N1C[C@H](c2ccc(OC(F)(F)F)cc2)C[C@H](c2nc(C3CC3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939876", "category": ["biolink:ChemicalEntity"], "name": "BI 4394", "xref": ["InChIKey:MMJPVSDTLGFIQW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2cc(-c3cc(C(=O)NCc4ccc(C(=O)O)cc4)nn3C)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516982", "category": ["biolink:ChemicalEntity"], "name": "BI 1935", "xref": ["InChIKey:KMESAVNRPDKZCQ-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531220", "category": ["biolink:ChemicalEntity"], "name": "BI 3047", "xref": ["InChIKey:AUIFRJWXYUNPPV-JOCHJYFZSA-N", "SMILES:CCS(=O)(=O)c1cc2cc(C[C@@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561806", "category": ["biolink:ChemicalEntity"], "name": "BTZO-4", "xref": ["InChIKey:VNQMNFPFGNMBPO-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccn2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448899", "category": ["biolink:ChemicalEntity"], "name": "BAY-876", "xref": ["InChIKey:BKLJDIJJOOQUFG-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907057", "category": ["biolink:ChemicalEntity"], "name": "BAY-826", "xref": ["InChIKey:MPASHPJAIUOWCK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C#N)cc(S(F)(F)(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526351", "category": ["biolink:ChemicalEntity"], "name": "BAY-309", "xref": ["InChIKey:MOONEVNPHKFNGV-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc(-n2ccn3nc(-c4cccnc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100408", "category": ["biolink:ChemicalEntity"], "name": "TP-024n", "xref": ["InChIKey:LEEQPBKUBIMCLS-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2cccc(C(F)(F)F)c2)sc1-c1ccc(C(N)=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445670", "category": ["biolink:ChemicalEntity"], "name": "BAY-885", "xref": ["InChIKey:QXURFIGBRGWPQD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cnc3c(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5N)CC4)ncnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536197", "category": ["biolink:ChemicalEntity"], "name": "A-486", "xref": ["InChIKey:MTTJOZOOUCZVHO-LFPIHBKWSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)[C@@]1(CC2)OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538174", "category": ["biolink:ChemicalEntity"], "name": "ERKi", "xref": ["InChIKey:RAXZSEGXMBWYQK-SNVBAGLBSA-N", "SMILES:C[C@@H](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557026", "category": ["biolink:ChemicalEntity"], "name": "ERKi-NC", "xref": ["InChIKey:XACXTPQNHGFQOD-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799292", "category": ["biolink:ChemicalEntity"], "name": "(R)-9s", "xref": ["InChIKey:CDJPHTNUARAVMH-SECBINFHSA-N", "SMILES:C[C@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N"], "synonym": ["Tp-009"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540759", "category": ["biolink:ChemicalEntity"], "name": "BI 0054", "xref": ["InChIKey:UPJRPOWMFLBSKZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2ccc(C(=O)NC3=NCCN3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332794", "category": ["biolink:ChemicalEntity"], "name": "A-192621", "xref": ["InChIKey:LQEHCKYYIXQEBM-FUKIBTTHSA-N", "SMILES:CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228713", "category": ["biolink:ChemicalEntity"], "name": "A-1211212", "xref": ["InChIKey:CSBKUBOVPUXFLO-MAVVKCOWSA-N", "SMILES:CO[C@H]1CC[C@H](CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4630642", "category": ["biolink:ChemicalEntity"], "name": "BAY-974", "xref": ["InChIKey:YJJMPAOJOSVSDB-UHFFFAOYSA-N", "SMILES:CC1=C(C#N)C(c2ccc3c(c2)c(NC(=O)c2ccccc2C)nn3C)C(C#N)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560589", "category": ["biolink:ChemicalEntity"], "name": "MLi-2-NC", "xref": ["InChIKey:YGCZGTCXWBPTDC-GASCZTMLSA-N", "SMILES:C[C@@H]1CN(c2cc(-c3nn(C)c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1971943", "category": ["biolink:ChemicalEntity"], "name": "BAY-549", "xref": ["InChIKey:NRSGWEVTVGZDFC-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12"], "synonym": ["Azaindole-1", "Tc-s 7001"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455357", "category": ["biolink:ChemicalEntity"], "name": "TP-020", "xref": ["InChIKey:VSZRYLHBOKTNBO-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1-c1cnc(N2CCc3cc(S(=O)(=O)Nc4c(F)cc(Cl)cc4F)cc(N4CCCC4=O)c32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834184", "category": ["biolink:ChemicalEntity"], "name": "BI 99179", "xref": ["InChIKey:YNFDIGJKJPNFFD-SJORKVTESA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522773", "category": ["biolink:ChemicalEntity"], "name": "BAY-827", "xref": ["InChIKey:BGQYHBPBRKOJMZ-OAQYLSRUSA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc3[nH]nc(C)c3c2)C(C#N)=C(c2ccc(Cl)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531775", "category": ["biolink:ChemicalEntity"], "name": "SR-321", "xref": ["InChIKey:HMPXSYOFBMBHDF-UHFFFAOYSA-N", "SMILES:O=C(NCCCC1CCCCC1)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577237", "category": ["biolink:ChemicalEntity"], "name": "BI 9446", "xref": ["InChIKey:VATLFUUMDRXLTK-GDLZYMKVSA-N", "SMILES:C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC3(c4nc(C5CCC5)no4)CC3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577885", "category": ["biolink:ChemicalEntity"], "name": "PF-05105679", "xref": ["InChIKey:BXNMZRPTQFVRFA-QGZVFWFLSA-N", "SMILES:C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cnc2ccccc2c1"], "synonym": ["Pf-05105679", "PF 5105679"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436748", "category": ["biolink:ChemicalEntity"], "name": "SR-318", "xref": ["InChIKey:HXNUFFCHRIWTRZ-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)NCCCC3CCCCC3)cc2)cnn1-c1ccccc1"]}
{"name": "Cyclin-dependent kinase 2 homolog", "xref": ["CHEMBL.TARGET:CHEMBL1908388"], "id": "UniProtKB:P61075", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3685796", "category": ["biolink:ChemicalEntity"], "name": "MRL-SYKi", "xref": ["InChIKey:OYKPWSZSBLRRPL-HOYKHHGWSA-N", "SMILES:Cc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552354", "category": ["biolink:ChemicalEntity"], "name": "BI 3017", "xref": ["InChIKey:ZDITZGRCUFFQRS-PHZGNYQRSA-N", "SMILES:Cc1nccc(COC(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccc5[nH]nnc5c4)[C@@H]3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539555", "category": ["biolink:ChemicalEntity"], "name": "BI 9307", "xref": ["InChIKey:WNEINSVFBXZUFH-FQEVSTJZSA-N", "SMILES:CS(=O)(=O)NCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513786", "category": ["biolink:ChemicalEntity"], "name": "A-545", "xref": ["InChIKey:OAEWNSKRLBVVBV-OBTVHEKISA-N", "SMILES:CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC"], "synonym": ["A-216545"]}
{"name": "Receptor-interacting serine/threonine-protein kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL6083"], "id": "UniProtKB:P57078", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1643772", "category": ["biolink:ChemicalEntity"], "name": "CRTH2-negative-control", "xref": ["InChIKey:BEMUNJONNGSREM-OAHLLOKOSA-N", "SMILES:CN([C@@H]1CCc2c(CC(=O)O)c3cc(S(C)(=O)=O)ccc3n2C1)S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170610", "category": ["biolink:ChemicalEntity"], "name": "BI 9627", "xref": ["InChIKey:QMHRLXNEGYTSRV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2ccc(C(=O)NC(=N)N)cc2C(F)(F)F)CC1"]}
{"name": "Transient receptor potential cation channel subfamily M member 6", "xref": ["CHEMBL.TARGET:CHEMBL1628470"], "id": "UniProtKB:Q9BX84", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530401", "category": ["biolink:ChemicalEntity"], "name": "MRL-SYKi-NC", "xref": ["InChIKey:HUOXIXBCBFNFKF-VOIUYBSRSA-N", "SMILES:Cc1ccc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)cc1Nc1cccc(C(F)(F)F)n1"]}
{"name": "Serine/threonine-protein kinase WNK4", "xref": ["CHEMBL.TARGET:CHEMBL1795196"], "id": "UniProtKB:Q96J92", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520788", "category": ["biolink:ChemicalEntity"], "name": "BAY-294", "xref": ["InChIKey:WEGLOYDTDILXDA-HNNXBMFYSA-N", "SMILES:CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGHCDSORZCRDE-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1ccnc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535474", "category": ["biolink:ChemicalEntity"], "name": "BAY-293", "xref": ["InChIKey:WEGLOYDTDILXDA-OAHLLOKOSA-N", "SMILES:CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEBDKSYNJJVZSO-SECBINFHSA-N", "SMILES:Cc1cn([C@H](C)CC#N)c(=O)c2cc(Cn3nc(C(F)F)cc3Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558518", "category": ["biolink:ChemicalEntity"], "name": "GSI-NC", "xref": ["InChIKey:TTWGDSSADVBNQY-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC1CNC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576555", "category": ["biolink:ChemicalEntity"], "name": "T3-CLK-N", "xref": ["InChIKey:BNTGVINQADRYBE-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4n3)cc2)CC1"], "synonym": ["T3n"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3480577", "category": ["biolink:ChemicalEntity"], "name": "UCSF924", "xref": ["InChIKey:RPHDOVLXDYWDGF-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152944", "category": ["biolink:ChemicalEntity"], "name": "Skepinone-L", "xref": ["InChIKey:HXMGCTFLLWPVFM-GOSISDBHSA-N", "SMILES:O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548689", "category": ["biolink:ChemicalEntity"], "name": "Ogerin", "xref": ["InChIKey:MDGIEDNDSFMSLP-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748908", "category": ["biolink:ChemicalEntity"], "name": "TP-040n", "xref": ["InChIKey:BNXNWRSVYQHTOH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMEDHHKXKVEBDF-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1cn(C2(C#N)CC2)cn1)C(=O)Nc1nc(-c2cccc(-c3ccn(C)n3)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUYCSWFYKYVCLD-HXUWFJFHSA-N", "SMILES:CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578164", "category": ["biolink:ChemicalEntity"], "name": "MRL-CB1-NC", "xref": ["InChIKey:HSEQWGUPLOFKEC-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(NS(C)(=O)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582478", "category": ["biolink:ChemicalEntity"], "name": "MSD-CYP11B2", "xref": ["InChIKey:OAMLIJKKGZLNHE-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642079", "category": ["biolink:ChemicalEntity"], "name": "BAY-403", "xref": ["InChIKey:ZZSNHHKTFMLWFY-KRWDZBQOSA-N", "SMILES:Cc1c(N2CCNCC2)nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180408", "category": ["biolink:ChemicalEntity"], "name": "JNJ-42396302", "xref": ["InChIKey:BPLVDYJDAVYLRQ-UHFFFAOYSA-N", "SMILES:COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)ccnn23)cn1"], "synonym": ["Jnj-42396302"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5092747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUURZPBLEVSXGP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cc(-c3ccccc3)nc3cc(C(=O)NCCCn4ccnc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPAHCZZXEGWBDL-UHFFFAOYSA-N", "SMILES:Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWVEVSLAFDIRE-QFIPXVFZSA-N", "SMILES:COc1cc(-c2cn([C@H]3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1ccc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3337895", "category": ["biolink:ChemicalEntity"], "name": "T-26f", "xref": ["InChIKey:FITQSJBSXMDHOS-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2nc3scc(CN(C)Cc4ccccc4)c3c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564126", "category": ["biolink:ChemicalEntity"], "name": "TP-008", "xref": ["InChIKey:LVEUPFUJRKZPEN-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2cc(Cl)ccc2F)cc1-n1c(=O)n(CC(N)=O)c2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446366", "category": ["biolink:ChemicalEntity"], "name": "WM-2474", "xref": ["InChIKey:WYMCVPPNOFFNGE-UHFFFAOYSA-N", "SMILES:O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccnnc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802037", "category": ["biolink:ChemicalEntity"], "name": "BI-5026", "xref": ["InChIKey:HHYGVXHXNNIDJF-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1sc2nc(N3CCC(S(C)(=O)=O)CC3)cc(C(F)(F)F)c2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802046", "category": ["biolink:ChemicalEntity"], "name": "MSC-0516", "xref": ["InChIKey:MMSNEMMBFRAGPO-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)ncc1C#Cc1ccccc1NS(=O)(=O)c1cccc2c(N(C)C)ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYAFWWXPXHSNDM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nc(-c2nn(Cc3c(F)cc(OCCCO)cc3F)c3ccccc23)ncc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802053", "category": ["biolink:ChemicalEntity"], "name": "JYQ88", "xref": ["InChIKey:KIWKRCCIHSGWQS-SECBINFHSA-N", "SMILES:N#CN1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C(=O)CN=[N+]=[N-])CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5027912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKTXMSSTNJXZII-UHFFFAOYSA-N", "SMILES:c1ccc(C2CCN(c3cnc4c(N5CCOCC5)nccn34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802044", "category": ["biolink:ChemicalEntity"], "name": "JNJ-73924149", "xref": ["InChIKey:VKYYOTCDIVOPRO-MRXNPFEDSA-N", "SMILES:CC(=O)Nc1nc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNPUAOAEFMXQI-GASCZTMLSA-N", "SMILES:C[C@@H]1CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C[C@H](C)C1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3640116", "category": ["biolink:ChemicalEntity"], "name": "BI-1942", "xref": ["InChIKey:PCJVXTDIDUMIRR-QGZVFWFLSA-N", "SMILES:CC[C@H](CC(=O)O)n1c(=O)c2ncccc2n(Cc2cn(C)c3cc(C)cc(C)c23)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586794", "category": ["biolink:ChemicalEntity"], "name": "ABT-100", "xref": ["InChIKey:HEUVRFNVTLGKMZ-SANMLTNESA-N", "SMILES:Cn1cncc1[C@](O)(COc1ccc(C#N)cc1-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555711", "category": ["biolink:ChemicalEntity"], "name": "BAY-9897", "xref": ["InChIKey:CWRARANSONEPBZ-CHWSQXEVSA-N", "SMILES:COc1cc(N[C@@H]2CCCC[C@]2(O)C(F)(F)F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516843", "category": ["biolink:ChemicalEntity"], "name": "BAY-207", "xref": ["InChIKey:JXAOITUGCKTSTF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CC2)ccc1Oc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093612", "category": ["biolink:ChemicalEntity"], "name": "A-1596586", "xref": ["InChIKey:KDOQEEMQPHIANX-NFBKMPQASA-N", "SMILES:COc1ccc2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)C[C@H]2NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066040", "category": ["biolink:ChemicalEntity"], "name": "A-1596584", "xref": ["InChIKey:KDOQEEMQPHIANX-REWPJTCUSA-N", "SMILES:COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)C[C@@H]2NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4566600", "category": ["biolink:ChemicalEntity"], "name": "PPTN-NC", "xref": ["InChIKey:MDSNOUPPFQBVBS-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589752", "category": ["biolink:ChemicalEntity"], "name": "IPP/CNRS-A017", "xref": ["InChIKey:JNAABFZPXJJMPX-UHFFFAOYSA-N", "SMILES:Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592872", "category": ["biolink:ChemicalEntity"], "name": "BAY-897", "xref": ["InChIKey:AEOSDPHCSPJLGL-AREMUKBSSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520293", "category": ["biolink:ChemicalEntity"], "name": "(R)-ZINC-3573", "xref": ["InChIKey:XKBSPAZCFAIBJL-OAHLLOKOSA-N", "SMILES:CN(C)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638406", "category": ["biolink:ChemicalEntity"], "name": "BAY-3153", "xref": ["InChIKey:LZSPYTNDRPEZBK-OXYJHPMESA-N", "SMILES:CCOc1cc(N2C3COCC2CN(C(=O)[C@H]2C[C@H](O)CN2c2ccc(Cl)cc2)C3)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545807", "category": ["biolink:ChemicalEntity"], "name": "BAY-070", "xref": ["InChIKey:NSXFCOAQTRXPAW-UHFFFAOYSA-N", "SMILES:Cn1c(-c2csc(C3CCN(CC4=NC5N=CC=CC5N4)CC3)n2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBWLRLGUBSLPG-FDHYQTMZSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBWLRLGUBSLPG-FFUXEPPCSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@H]2CCCCN2C(=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697701", "category": ["biolink:ChemicalEntity"], "name": "A-079", "xref": ["InChIKey:HKROEBDHHKMNBZ-CHBKHGQFSA-N", "SMILES:CCC(=N\\O)/C(C)=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3701197", "category": ["biolink:ChemicalEntity"], "name": "A-226", "xref": ["InChIKey:WRHHATMLNUQQTB-MZRBSKCNSA-N", "SMILES:CCC(=N\\O)/C(C)=C/c1ccc(F)c(C)c1"], "synonym": ["A-1115226"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802042", "category": ["biolink:ChemicalEntity"], "name": "JNJ-54119936", "xref": ["InChIKey:QBIGUDRHHJTXKG-UUWRZZSWSA-N", "SMILES:COc1nc2ccc([C@@](O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802040", "category": ["biolink:ChemicalEntity"], "name": "PFI-653", "xref": ["InChIKey:VGRLXWFIXGZRMS-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NCc2cnccn2)nc1)N1CCC2(CCOCC2)C1"]}
{"name": "Pantetheinase", "xref": ["CHEMBL.TARGET:CHEMBL4802063"], "id": "UniProtKB:Q9Z0K8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Vanin 1", "synonym": ["Pantetheinase"], "xref": ["CHEMBL.TARGET:CHEMBL4802062"], "id": "UniProtKB:Q4KLZ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533479", "category": ["biolink:ChemicalEntity"], "name": "A-1806262", "xref": ["InChIKey:LQEHCKYYIXQEBM-WXALXNGTSA-N", "SMILES:CCCOc1ccc([C@@H]2[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593677", "category": ["biolink:ChemicalEntity"], "name": "BAY-474", "xref": ["InChIKey:QKVFMAAIXZONRN-UHFFFAOYSA-N", "SMILES:CC1=C(C#N)C(c2ccc3[nH]nc(C)c3c2)C(C#N)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802045", "category": ["biolink:ChemicalEntity"], "name": "BAY-091", "xref": ["InChIKey:DVIVLYHDLNAXAT-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3F)cc2)nc2cnccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514203", "category": ["biolink:ChemicalEntity"], "name": "BAY-390", "xref": ["InChIKey:IESAJAZKMLPVIB-VXGBXAGGSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585243", "category": ["biolink:ChemicalEntity"], "name": "BAY-7598", "xref": ["InChIKey:ZGBAPSHWPBXEKN-OPHFCASCSA-N", "SMILES:O=C(O)[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1C(=O)c1ccc(OCCC2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMGXDCRCWWCRY-JTQLQIEISA-N", "SMILES:CCNC(=O)c1cc2c(N3CCOC[C@@H]3C)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617968", "category": ["biolink:ChemicalEntity"], "name": "BAY-678", "xref": ["InChIKey:PGIVGIFOWOVINL-GOSISDBHSA-N", "SMILES:CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1"]}
{"name": "Autotaxin", "xref": ["CHEMBL.TARGET:CHEMBL3826870"], "id": "UniProtKB:Q64610", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Potassium voltage-gated channel subfamily V member 1", "xref": ["CHEMBL.TARGET:CHEMBL4524039"], "id": "UniProtKB:P97557", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Catechol O-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2176837"], "id": "UniProtKB:Q99028", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "High affinity choline transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL4507"], "id": "UniProtKB:Q9GZV3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Guanylate cyclase soluble subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL3915"], "id": "UniProtKB:P19687", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Phosphatidylinositol 3-kinase regulatory subunit gamma", "xref": ["CHEMBL.TARGET:CHEMBL4524045"], "id": "UniProtKB:O46404", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358954", "category": ["biolink:ChemicalEntity"], "name": "BI 653048", "xref": ["InChIKey:AUIFRJWXYUNPPV-QFIPXVFZSA-N", "SMILES:CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1"], "synonym": ["Bi 653048"]}
{"name": "Polyunsaturated fatty acid lipoxygenase ALOX15", "xref": ["CHEMBL.TARGET:CHEMBL4358"], "id": "UniProtKB:P12530", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Leukotriene C4 synthase", "xref": ["CHEMBL.TARGET:CHEMBL1909043"], "id": "UniProtKB:A6XA80", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456123", "category": ["biolink:ChemicalEntity"], "name": "BI 639667", "xref": ["InChIKey:PXQATVYJKMMHAU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1"], "synonym": ["Bi 639667"]}
{"name": "Sodium/hydrogen exchanger 1", "xref": ["CHEMBL.TARGET:CHEMBL2577"], "id": "UniProtKB:P26431", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "3-hydroxy-3-methylglutaryl-coenzyme A reductase", "xref": ["CHEMBL.TARGET:CHEMBL3247"], "id": "UniProtKB:P51639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Leukotriene A-4 hydrolase", "xref": ["CHEMBL.TARGET:CHEMBL5786"], "id": "UniProtKB:P19602", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"name": "Phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL4524027"], "id": "UniProtKB:A0A8D1VEY7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588900", "category": ["biolink:ChemicalEntity"], "name": "BI 1230", "xref": ["InChIKey:YQCVJBZPFAJZFJ-DVUQJCTJSA-N", "SMILES:COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)CC5/C=C\\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(=O)C(C)C)n3)nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204232", "category": ["biolink:ChemicalEntity"], "name": "NAPHTHYRIDINONE", "xref": ["InChIKey:VHSIAYLBCLUAFT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802050", "category": ["biolink:ChemicalEntity"], "name": "8RK64", "xref": ["InChIKey:KIWKRCCIHSGWQS-VIFPVBQESA-N", "SMILES:N#CN1CC[C@H](C(=O)Nc2nc3c(s2)CN(C(=O)CN=[N+]=[N-])CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204538", "category": ["biolink:ChemicalEntity"], "name": "THPP-1", "xref": ["InChIKey:JBHLOPKIPKTRSU-UHFFFAOYSA-N", "SMILES:COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3337894", "category": ["biolink:ChemicalEntity"], "name": "T-26c", "xref": ["InChIKey:CDQRIIUMNLMHRH-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1"]}
{"name": "Collagenase 3", "xref": ["CHEMBL.TARGET:CHEMBL5327"], "id": "UniProtKB:O77656", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799512", "category": ["biolink:ChemicalEntity"], "name": "TP-004", "xref": ["InChIKey:BNTAEJNPQLMGDJ-LLVKDONJSA-N", "SMILES:Cc1nc(N2CC[C@@H](O)C2)ncc1-c1cc(C(F)(F)F)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456585", "category": ["biolink:ChemicalEntity"], "name": "WM-1119", "xref": ["InChIKey:QLXULUNLCRKWRD-UHFFFAOYSA-N", "SMILES:O=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-c2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082756", "category": ["biolink:ChemicalEntity"], "name": "TP-024", "xref": ["InChIKey:TYXSIXOYTBHZFA-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2nc(Cc3cc(F)cc(C(F)(F)F)c3)nc2C)ccc1C(N)=O"]}
{"name": "G protein-coupled receptor", "xref": ["CHEMBL.TARGET:CHEMBL4524044"], "id": "UniProtKB:Q9WU09", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086284", "category": ["biolink:ChemicalEntity"], "name": "KISS1-305", "xref": ["InChIKey:YSVWFFNZZGLLAI-XNTOLAJGSA-N", "SMILES:CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "synonym": ["Tp-005"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531334", "category": ["biolink:ChemicalEntity"], "name": "T3-CLK", "xref": ["InChIKey:IEFFSHLHNYVSEF-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5ccncc5)ccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342191", "category": ["biolink:ChemicalEntity"], "name": "A-1107969", "xref": ["InChIKey:AUSCDMYCFSINPV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCOc3ccc(-n4ncc5cncnc54)cc3)s1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458424", "category": ["biolink:ChemicalEntity"], "name": "BAY-899", "xref": ["InChIKey:VKQBTIMLSDGNLG-QHCPKHFHSA-N", "SMILES:O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1"]}
{"name": "Mas-related G-protein coupled receptor member X2", "xref": ["CHEMBL.TARGET:CHEMBL5849"], "id": "UniProtKB:Q96LB1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088216", "category": ["biolink:ChemicalEntity"], "name": "TP-030-1", "xref": ["InChIKey:MAHFVAHPQSLLJF-IBGZPJMESA-N", "SMILES:CN1C(=O)[C@@H](N2CCc3cn(Cc4ccccc4)nc3C2=O)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549667", "category": ["biolink:ChemicalEntity"], "name": "TP-030-2", "xref": ["InChIKey:KHVVJKLNKLQLJZ-SFHVURJKSA-N", "SMILES:CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3Br)C2=O)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551635", "category": ["biolink:ChemicalEntity"], "name": "BAY-069", "xref": ["InChIKey:UNSHMXUHOHBLIQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c2ccccc2c1Cl"]}
{"name": "Branched-chain-amino-acid aminotransferase, cytosolic", "xref": ["CHEMBL.TARGET:CHEMBL4679"], "id": "UniProtKB:P54687", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Branched-chain-amino-acid aminotransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3616354"], "id": "UniProtKB:O15382", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636332", "category": ["biolink:ChemicalEntity"], "name": "BI 2540", "xref": ["InChIKey:WPEKGNGDNFRRMH-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(C(F)(F)F)c2)ccc(C(=O)O)c1F"]}
{"name": "ANK_REP_REGION domain-containing protein", "synonym": ["Transient receptor potential cation channel subfamily A member 1"], "xref": ["CHEMBL.TARGET:CHEMBL4524031"], "id": "UniProtKB:H0VJD1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639128", "category": ["biolink:ChemicalEntity"], "name": "GSK778", "xref": ["InChIKey:ZORLJXWXFABTPZ-CTNGQTDRSA-N", "SMILES:COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802043", "category": ["biolink:ChemicalEntity"], "name": "MSC-4381", "xref": ["InChIKey:FNBUZGRPJLEIMO-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C#Cc2cnc(C(=O)O)cc2OC)c2ncccc12"]}
{"name": "Monocarboxylate transporter 4", "xref": ["CHEMBL.TARGET:CHEMBL4802065"], "id": "UniProtKB:P57787", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A", "xref": ["CHEMBL.TARGET:CHEMBL1795126"], "id": "UniProtKB:Q8CA95", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRELDGDKULRRDM-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516611", "category": ["biolink:ChemicalEntity"], "name": "BTZO-1", "xref": ["InChIKey:GBAKVEWPYUIGHN-UHFFFAOYSA-N", "SMILES:O=c1nc(-c2ccccn2)sc2ccccc12"], "synonym": ["Tp-010"]}
{"name": "Macrophage migration inhibitory factor", "xref": ["CHEMBL.TARGET:CHEMBL4524037"], "id": "UniProtKB:P30904", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCPQSJABURDDD-UHFFFAOYSA-N", "SMILES:c1ccc2oc(-c3csc(C4CCN(Cc5nc6ncccc6[nH]5)CC4)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286797", "category": ["biolink:ChemicalEntity"], "name": "PF-04418948", "xref": ["InChIKey:LWJGMYMNSNVCEM-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1"], "synonym": ["Pf-04418948"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530740", "category": ["biolink:ChemicalEntity"], "name": "BI 1950", "xref": ["InChIKey:JZTTUZXIQIRVAB-FZEVHQGJSA-N", "SMILES:C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)c(F)c(Cl)c1)C(=O)NC1(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522930", "category": ["biolink:ChemicalEntity"], "name": "BI-605906", "xref": ["InChIKey:IYHHRZBKXXKDDY-UHFFFAOYSA-N", "SMILES:CCC(F)(F)c1cc(N2CCC(S(C)(=O)=O)CC2)nc2sc(C(N)=O)c(N)c12"]}
{"name": "Ankyrin repeat and protein kinase domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5547"], "id": "UniProtKB:Q8NFD2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hormonally up-regulated neu tumor-associated kinase", "xref": ["CHEMBL.TARGET:CHEMBL1795165"], "id": "UniProtKB:P57058", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol 4-phosphate 5-kinase type-1 beta", "xref": ["CHEMBL.TARGET:CHEMBL4802064"], "id": "UniProtKB:O14986", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity testis-specific protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL2069163"], "id": "UniProtKB:Q96S53", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polycystin-1", "xref": ["CHEMBL.TARGET:CHEMBL5772"], "id": "UniProtKB:P98161", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795065", "category": ["biolink:ChemicalEntity"], "name": "Borussertib", "xref": ["InChIKey:HXBRBOYWXDLHDC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802039", "category": ["biolink:ChemicalEntity"], "name": "JNJ-65355394", "xref": ["InChIKey:CYFBRQHYEQKYHH-MRXNPFEDSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568735", "category": ["biolink:ChemicalEntity"], "name": "NVS-MALT1", "xref": ["InChIKey:NVGROBHDOYRPAN-FPTDNZKUSA-N", "SMILES:CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584981", "category": ["biolink:ChemicalEntity"], "name": "NVS-MALT1-C", "xref": ["InChIKey:NVGROBHDOYRPAN-RCDICMHDSA-N", "SMILES:CO[C@@H](C)c1c(Nc2ccc([C@@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802038", "category": ["biolink:ChemicalEntity"], "name": "A-446", "xref": ["InChIKey:DLNFTRSEHUWEGO-HUUCEWRRSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2C[C@H]3C[C@@H]2CN3c2cccnn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQTXPVLCCDQRHY-UHFFFAOYSA-N", "SMILES:CC(N)c1cccc(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAUDQTUUTVOSS-JTQLQIEISA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccoc1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGOYEZGTTXOIX-NSHDSACASA-N", "SMILES:COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URWUMAQQROJBFD-KXHHCGPPSA-N", "SMILES:O=C1c2cc(Cl)c3c4c(Oc5ccc(OCc6cn(CCCN7C[C@H](O)[C@@H](O)[C@H](O)[C@H]7CO)nn6)cc5)cc5c6c(cc(Oc7ccc(OCc8cn(CCCN9C[C@H](O)[C@@H](O)[C@H](O)[C@H]9CO)nn8)cc7)c(c7c(Cl)cc(c2c37)C(=O)N1Cc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)c64)C(=O)N(Cc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGMADKVDVREGW-KXHHCGPPSA-N", "SMILES:O=C1c2cc(Cl)c3c4c(Cl)cc5c6c(cc(Oc7ccc(OCc8cn(CCCN9C[C@H](O)[C@@H](O)[C@H](O)[C@H]9CO)nn8)cc7)c(c7c(Oc8ccc(OCc9cn(CCCN%10C[C@H](O)[C@@H](O)[C@H](O)[C@H]%10CO)nn9)cc8)cc(c2c37)C(=O)N1Cc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)c64)C(=O)N(Cc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVJINGSHOOFYLU-WRWGMCAJSA-N", "SMILES:OCc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQUFWFUOVDUIO-NSHDSACASA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKIAELCKQHVBI-NSHDSACASA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCRLGLTZPXORIX-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)Nc4ccccc4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZHFAPKIYABWLB-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)Nc4cccc(S(C)(=O)=O)c4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSISPDIJGGZDQA-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)Nc4cccc(C#N)c4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXKIGLWEFFMTG-INIZCTEOSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)N(C)c4cccc(C#N)c4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKEPKQMDLXYSKW-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)Nc4cc(C#N)cc(S(C)(=O)=O)c4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGZCLHINZBWLRN-KRWDZBQOSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)Nc4cccc(CN(C)C)c4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXQWLDNOXGCSM-KRWDZBQOSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)Nc4ccc(CN(C)C)cc4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEUIPVISAJITP-SFHVURJKSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)N(C)c4ccc(CN(C)C)cc4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHSYMMHKWHMBV-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)Nc4ccc(C#N)cc4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNADNLRHUVIAR-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)Nc4ccc(S(C)(=O)=O)cc4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVTRLGWLUDWQGP-HNNXBMFYSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(C)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLNSZPSGBYDYIC-INIZCTEOSA-N", "SMILES:COCCNC(=O)c1cccc(Nc2nc(C)c(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMMGDTUHUMCVSB-SFHVURJKSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(C(=O)NCCCN(C)C)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLNZPYYVWACTDG-SFHVURJKSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3ccc(C(=O)NCCCN(C)C)cn3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWLVQDIGNAMCF-KRWDZBQOSA-N", "SMILES:CCN(CC)C(=O)c1cccc(Nc2nc(C)c(-c3cc4c(c(S(=O)(=O)NC)c3)C(=O)N([C@@H](C)C3CC3)C4)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWQOBXLEMHPNMF-NRFANRHFSA-N", "SMILES:Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)Nc1ccc(cc1)CN(C)CCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMVEUQOIQWOLF-QFIPXVFZSA-N", "SMILES:Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)Nc1ccc(cc1)CN(C)CCCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPHDBXDJOKWED-KRWDZBQOSA-N", "SMILES:Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)NCCCCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJKNXSUPLWLOY-KRWDZBQOSA-N", "SMILES:Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)NCCN(C)CCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMKBCIVCVYKVBE-SFHVURJKSA-N", "SMILES:Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)NCCN(C)CCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSLANAJQYLHMO-INIZCTEOSA-N", "SMILES:Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)NCCOCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVMAMHTWFZGLDH-HNNXBMFYSA-N", "SMILES:Cc1nc(-c2cccc(Nc3nc(C)c(-c4cc5c(c(S(C)(=O)=O)c4)C(=O)N([C@@H](C)C4CC4)C5)s3)n2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZBYWHCDBQFVFZ-HNNXBMFYSA-N", "SMILES:Cc1nc(Nc2cccc(-c3nc(C)n(C)n3)n2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKKDQSUXCTZICT-HNNXBMFYSA-N", "SMILES:Cc1nc(Nc2cccc(-c3ocnc3CO)n2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGBZVXNIRCSRBK-AWEZNQCLSA-N", "SMILES:CC(=O)Nc1cccc(Nc2nc(C)c(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWHLMLQDUKNHBO-HNNXBMFYSA-N", "SMILES:CC(=O)N(C)c1cccc(Nc2nc(C)c(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEMBXYLJGBGCSQ-HNNXBMFYSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N(C)C(C)=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558527", "category": ["biolink:ChemicalEntity"], "name": "AZD-8154", "xref": ["InChIKey:XOMFDZJQLSPGGV-INIZCTEOSA-N", "SMILES:Cc1nc(Nc2cccc(N3CCCC3=O)n2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2"], "synonym": ["Azd 8154", "Azd-8154", "AZD8154"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHFJVMZATJXYCO-KRWDZBQOSA-N", "SMILES:Cc1nc(Nc2cccc(N3CCCC3=O)n2)sc1-c1cc2c(c(S(=O)(=O)NC3COC3)c1)C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFBCXKOMIUXVNH-INIZCTEOSA-N", "SMILES:Cc1nc(Nc2cccc(N3CCNC3=O)n2)sc1-c1cc2c(c(S(=O)(=O)NC3COC3)c1)C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVKANZTYGYFKQY-INIZCTEOSA-N", "SMILES:Cc1nc(Nc2cccc(N3CCN(C)C3=O)n2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWFGTHMIDAVDE-HNAYVOBHSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N4CC[C@@H](O)C4=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUKKLFSDRNELCN-HNAYVOBHSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N4C[C@H](O)CC4=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFTPPASPRIXXIN-KRWDZBQOSA-N", "SMILES:Cc1nc(Nc2cccc(N3CCCCC3=O)n2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSOEZUYBOCTCT-KRWDZBQOSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N4CCCCC4=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRSVMBPXWKSNE-INIZCTEOSA-N", "SMILES:Cc1nc(Nc2cccc(N3CCOCC3=O)n2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZLQVDKBOUEZHS-INIZCTEOSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N4CCOCC4=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQXHYGEONUMTE-KRWDZBQOSA-N", "SMILES:Cc1nc(Nc2cccc(N3CCOCC3=O)n2)sc1-c1cc2c(c(S(=O)(=O)NC3COC3)c1)C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCOQTFFMFTWVMC-INIZCTEOSA-N", "SMILES:Cc1nc(Nc2cccc(N3CCCOC3=O)n2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJDAOWTYAVAHK-INIZCTEOSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N4CCCOC4=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZBXYCUIUOCOO-INIZCTEOSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N4CCNCC4=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFYQUMRHYXKIOO-KRWDZBQOSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N4CCN(C)CC4=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJSAMKIFDDLGI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBYSOQCWOUEKI-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cccc(-c2ccc(OC)c(S(=O)(=O)Nc3cccc(NCCNC(=O)c4ccccc4N(C)C)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GISVSZPKNJCVCN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUXBGMNIFGXPW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLMXWCISNJNDH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNRZZOQXGZCHQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCCNC(=O)c2ccccc2N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHQSSMVRNELCD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCKGCWJWABOKP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCC(C)NC(=O)c2ccccc2N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGUKYJGWBQBUSU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCC(C)NC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWWLPLGGILQPKC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N(C)C)ccn2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVNNUYPDXMUKRO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cncc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRHSKXIJIQZKQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKSWITOUPJYOBQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)n2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXMNHVQADZGMH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVFPRRKAKVBCE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N(C)C)cs2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJICLZZRCICGHD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(C(=O)N(C)C)n2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTYBEFMUPWUSJY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)CCN(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNBODIQDVXVRV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)Cc3ccccn3)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIRUDLVTXPQQZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)Cc3cccnc3)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIANBLHLJZGLLG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)Cc3ccncc3)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHBHQVFZEHBCQK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)CCc3ccccn3)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCGVSVVLKIHANQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)CCc3ccncc3)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMCIZLIOATYHKE-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1cccc(-c2ccc(OC)c(S(=O)(=O)Nc3cccc(NCCNC(=O)c4ccccc4N(C)C)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPEUXQBJONDZHF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(CN(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRMPTCDBRAACAO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRWABAQNYIWVBP-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cccc(-c2ccc(OC)c(S(=O)(=O)Nc3cccc(NCCNC(=O)c4ccccc4N(C)C)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZLLPQORIPMPMN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)NCCN(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFRCXSOXCUBJFD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)c3ccccn3)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCDICCIIOWTER-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYRZJRWGZKMSC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)NCc3ccccn3)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRYAPWOPVUMDOK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1C(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAJJKNZPTXWJK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)Cc3ccncc3)c2)cc1C(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650341", "category": ["biolink:ChemicalEntity"], "name": "DANAVOREXTON", "xref": ["InChIKey:UXZAJSZFFARTEI-YRPNKDGESA-N", "SMILES:COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1"], "synonym": ["Danavorexton", "Danavorexton", "Tak-925", "TAK-925"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSVNGQNRFCIFV-XEGUMIITSA-N", "SMILES:COC(=O)N1[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMTAVIZAVFJXIJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(CCNC(=O)c2ccccc2-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTDHMQUNCGCSZ-MPYGFJLXSA-N", "SMILES:COc1ccc2c(c1)N(CCC/C=C\\c1cccc3c1N[C@H](C)CC(=O)N3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDAIQDRMTRKUET-GOSISDBHSA-N", "SMILES:COc1ccc2c(c1)N(CCCC#Cc1cccc3c1N[C@H](C)CC(=O)N3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZQSPHYHBYGJPB-MRXNPFEDSA-N", "SMILES:COc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@H](C)CC(=O)N3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTDHMQUNCGCSZ-SBLNNXNXSA-N", "SMILES:COc1ccc2c(c1)N(CCC/C=C/c1cccc3c1N[C@H](C)CC(=O)N3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITTYEDHGQJPMFI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1NCC(C)C(=O)N3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTDHMQUNCGCSZ-PYJQOMOHSA-N", "SMILES:COc1ccc2c(c1)N(CCC/C=C/c1cccc3c1N[C@@H](C)CC(=O)N3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAOZMJFYNREQLU-MJWYEJTISA-N", "SMILES:COc1cc(N2CCN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)ccc1NC(=O)c1cccc(-c2cc[nH]n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRNVFQJUUXQIG-LZJKKMSRSA-N", "SMILES:COc1cc(N2CCC(OCC(=O)N[C@H](C(=O)N3C[C@@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCLOPMRUGHLET-SPVIJIGUSA-N", "SMILES:COc1cc(N2CCC(OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRNVFQJUUXQIG-VIFUUBRESA-N", "SMILES:COc1cc(N2CCC(OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYMVNVWATJUROX-UHFFFAOYSA-N", "SMILES:COC(=O)CCC(=O)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL357516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWNRXQYQTQVWKA-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)N1CCc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5078750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMPPLAKDQKOFM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCC(=O)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGADGOMZKMKIY-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)N1CCc2ccccc21)OCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMLOTWHVJKDVLB-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)N1CCc2ccccc21)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXLGJWOUHKOVNN-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)CCC(=O)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHPUOFRNWNYQR-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2nc(-c3ccc(C)c(O)c3)ccc2F)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWZUCMUBFGMZFO-BJHJDKERSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDIMPVMRIQKURE-BJHJDKERSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTGIONVKMZBHV-BETUJISGSA-N", "SMILES:Nc1ncnc2c1ncn2C[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSXHEVSQICQLJE-BETUJISGSA-N", "SMILES:Nc1ncnc2c1ncn2C[C@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCNLFJSRUUYDE-KLPPZKSPSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDOOYTBMQYXIMT-XBXGTLAGSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)ncnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSYEZYIXGWFPE-XBXGTLAGSA-N", "SMILES:CS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)ncnc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKZLOKZNCGTWHF-BJHJDKERSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOPAFNNVMQHMHQ-BJHJDKERSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBDFPPBULIYROT-XBXGTLAGSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)ncnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAILHTYCPWIUOO-XBXGTLAGSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)ncnc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVBLUHWKJEXQR-BJHJDKERSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(Cl)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVUWLCVKRPHZHJ-BJHJDKERSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(Cl)nc43)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHQUHQVMHQNKC-OKILXGFUSA-N", "SMILES:COc1cccc(CNC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(Cl)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKWKZAKHQNLKT-RHNCMZPLSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5cccc(O)c5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVRSVOPIMLSVTK-MAEOIBBWSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5ccc(O)cc5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPREMCKJWUJQY-RHNCMZPLSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5cccnc5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJXNSYNQKBEKE-MAEOIBBWSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5ccncc5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDXSVSURFGMCK-OTVXOJSOSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5cc[nH]n5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCVAFOCWCEHKC-GLRZTSSQSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5cccc(C(N)=O)c5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQRWHHYFMICPD-MOBUCQHHSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5cccc(NC=O)c5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOSGTJKHSTWFGJ-GLRZTSSQSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5cccc(N)c5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALCDWWSQNUKESD-GLRZTSSQSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5ccc6cn[nH]c6c5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWZNLMWXVXMKER-GLRZTSSQSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5ccc6[nH]ncc6c5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKIMONAOGZQAFK-IZAXUBKRSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(-c5ccccc5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQQDPDYWXPNIQA-RHNCMZPLSA-N", "SMILES:COc1cccc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(Nc5cccnc5)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WABNRSLLQVPEQL-PHIMTYICSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc3ccccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOZKGZDCQTDDN-AOOOYVTPSA-N", "SMILES:Cc1csc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(Cl)nc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCWDYQDOITWHCX-PHIMTYICSA-N", "SMILES:Cc1cc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(Cl)nc43)CC2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUUSHYKBAQROY-DTORHVGOSA-N", "SMILES:Cc1nnc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(Cl)nc43)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLROOHXHABCZQF-KLPPZKSPSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2ccc3ncsc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRPBHVZIRKUIDK-PHIMTYICSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUXDTKTFLFIJR-DTORHVGOSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2ncc[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMXKXBYVKNJOSL-AOOOYVTPSA-N", "SMILES:Cc1cnc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(Cl)nc43)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZHVSEDOLLOPGI-WAAGHKOSSA-N", "SMILES:NC(=O)Cc1csc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(Cl)nc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAGBKXIPMIUHIX-DTORHVGOSA-N", "SMILES:NC(=O)Cc1cnc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(Cl)nc43)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTVUEVNNUOCPEL-OCAPTIKFSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc(C(F)(F)F)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJASSZBQWXOFA-OKILXGFUSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCQXWUWAMEFBC-PHIMTYICSA-N", "SMILES:COc1ccc2nc(NC(=O)[C@H]3CC[C@@H](n4cnc5c(N)nc(Cl)nc54)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVJSKYNSHUBAQ-PHIMTYICSA-N", "SMILES:COc1cccc2sc(NC(=O)[C@H]3CC[C@@H](n4cnc5c(N)nc(Cl)nc54)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNJNYLCRHLFVHR-AOOOYVTPSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc3ccc(O)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABUNTRPXGOPULO-AOOOYVTPSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc3c(O)cccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZPJCMIDINAJB-TXEJJXNPSA-N", "SMILES:NC(=O)Cc1ccc2nc(NC(=O)[C@H]3CC[C@@H](n4cnc5c(N)nc(Cl)nc54)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZEJGJZYTMLTMI-JGZJWPJOSA-N", "SMILES:NC(=O)c1ccc2nc(NC(=O)[C@H]3CC[C@@H](n4cnc5c(N)nc(Cl)nc54)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUMCODZEMYFGD-JGZJWPJOSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc3ccc(F)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNQDPMVANSSHZ-WAAGHKOSSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc3c(F)cc(F)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRGZPYXFRWZLBI-PHIMTYICSA-N", "SMILES:CN1CCc2nc(NC(=O)[C@H]3CC[C@@H](n4cnc5c(N)nc(Cl)nc54)CC3)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INNUMQBLJSNDFL-BETUJISGSA-N", "SMILES:CC(C)N1CCc2nc(NC(=O)[C@H]3CC[C@@H](n4cnc5c(N)nc(Cl)nc54)CC3)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEEGOPOGGUVETF-SPDVTRLRSA-N", "SMILES:Cl.Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C2CC2)CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNLGSHOEAAZFV-AOOOYVTPSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc3c(s2)CNCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHFQTATWQGKKLA-TXEJJXNPSA-N", "SMILES:CC1(C)Cc2nc(NC(=O)[C@H]3CC[C@@H](n4cnc5c(N)nc(Cl)nc54)CC3)sc2C(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREMPJLSGLGVPZ-AOOOYVTPSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc3c(s2)COCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVLGEDAFCCDRL-AOOOYVTPSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVMDUTFSIARABZ-AOOOYVTPSA-N", "SMILES:Cc1csc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nc(F)nc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQMEZASWIQJCW-PHIMTYICSA-N", "SMILES:CN1CCc2nc(NC(=O)[C@H]3CC[C@@H](n4cnc5c(N)nc(F)nc54)CC3)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEOZUBCIGAUECS-TXEJJXNPSA-N", "SMILES:CC1(C)Cc2nc(NC(=O)[C@H]3CC[C@@H](n4cnc5c(N)nc(F)nc54)CC3)sc2C(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFKHXHWIJUQXPQ-GCTXXEFPSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C/C(=O)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTLXTHKXVBIKT-AKNBXNJDSA-N", "SMILES:CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC/C=C/C(=O)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSPNBZCFDRBHBJ-MVUPDZOFSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3)C(=O)NC/C=C/C(=O)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXKVEWEPYVQOY-RGEADBRHSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)cc1)C(=O)NC/C=C/C(=O)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLCYYRGUFUCWNY-ADKHLFGJSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCCC[N+]1=C(/C=C/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)NC/C=C/C(=O)N(Cc1ccccc1)Cc1ccccc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWAGMZKGHHXSI-VADVEWNYSA-N", "SMILES:CCCC[C@H](NC(=O)CCCC[N+]1=C(/C=C/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)NC/C=C/C(=O)N(Cc1ccccc1)Cc1ccccc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URDWJXMUHRTJIU-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CC(C)N(Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMXXLCAOLPPTSX-UHFFFAOYSA-N", "SMILES:COC1=C(Cc2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N(c2ccc(C)c(C)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXSRBJMGWTPIA-GZTJUZNOSA-N", "SMILES:CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCJLRPMBRJWGS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(CN3CCN(c4ccc5ccccc5c4)C3=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLMACVFXROKKV-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(Cc3ccc(-c4cccc(C(=O)O)c4)s3)C2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWDMKSIUCITTML-UHFFFAOYSA-N", "SMILES:COC1=C(Cc2ccc(-c3cccc(C(=O)O)c3)s2)C(=O)N(c2ccc3ccccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMUMJFLFMDCGPF-UHFFFAOYSA-N", "SMILES:COC1=C(Cc2ccc(-c3cncc(C(=O)O)c3)s2)C(=O)N(c2ccc3ccccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIPDAVWUASGEPT-UHFFFAOYSA-N", "SMILES:COC1=C(Cc2ccc(-c3cn(C)cc(C(=O)O)c3=O)s2)C(=O)N(c2ccc3ccccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMBLNAUCEYVJHL-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c(=O)c(-c2ccc(CC3=C(OC)CN(c4ccc5ccccc5c4)C3=O)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZHZVUFFCBSXHL-UHFFFAOYSA-N", "SMILES:COC1=C(Cc2ccc(-c3cn(C(C)C)cc(C(=O)O)c3=O)s2)C(=O)N(c2ccc3ccccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGVZXFIAKXNEU-UHFFFAOYSA-N", "SMILES:COC1=C(Cc2ccc(-c3cn(Cc4ccccc4)cc(C(=O)O)c3=O)s2)C(=O)N(c2ccc3ccccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGZLBTNXAHGTKQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFRRTLXVNCPAOG-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CC(=O)C(Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVALWFKKPLBJCO-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1CCCOc1cc(OCCCc2cn(CCOCCOCCOCCOCCNC(=O)C3CCC(CN4C(=O)C=CC4=O)CC3)nn2)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCAUVZVHEBQUAP-VWLOTQADSA-N", "SMILES:CCc1cc([C@]2(c3ccc(F)c(-c4cccnc4C(F)F)c3)N=C(N)N(C)C2=O)cc(CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZTJZUAOGBUBNK-HXUWFJFHSA-N", "SMILES:C[C@]1(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N=C(N)SCC12CCS(=O)(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUJINDWAGRAHN-NKDCDXMNSA-N", "SMILES:C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)CC43)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQVIUEMPEFSVOL-CPRIZNHFSA-N", "SMILES:C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cc4c(cn3)OCCO4)ccc2F)[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDIQAOIHFVWZJQ-NHCUHLMSSA-N", "SMILES:CCS(=O)(=O)[C@]1(C)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)O4)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDKGXKMCISEBDT-WOJBJXKFSA-N", "SMILES:C[C@@]1(S(C)(=O)=O)CC[C@@](CF)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBARGSXIUKTHNW-WOJBJXKFSA-N", "SMILES:C[C@@]1(S(C)(=O)=O)CC[C@@](CF)(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQXCRMADCRFEB-WOJBJXKFSA-N", "SMILES:COc1cc(C(=O)Nc2ccc(F)c([C@]3(CF)CC[C@@](C)(S(C)(=O)=O)C(N)=N3)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBCUELYFGMRTJD-FGZHOGPDSA-N", "SMILES:C[C@@]1(S(C)(=O)=O)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OCCO4)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENHUNDDRIGOLX-NHCUHLMSSA-N", "SMILES:C[C@@]1(S(C)(=O)=O)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OCO4)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGKWKASFQDIRD-DHIUTWEWSA-N", "SMILES:C[C@@]1(S(C)(=O)=O)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OCCCO4)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBCUELYFGMRTJD-KEHGVXACSA-N", "SMILES:[2H]C1([2H])Oc2cnc(C(=O)Nc3ccc(F)c([C@]4(CF)CC[C@@](C)(S(C)(=O)=O)C(N)=N4)c3)cc2OC1([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDFJROHWAHSCGE-NHCUHLMSSA-N", "SMILES:C[C@@]1(S(C)(=O)=O)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)CO4)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMDAEJUPWNGRM-WOJBJXKFSA-N", "SMILES:C[C@@]1(S(C)(=O)=O)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)O4)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVBDFYWLNHZJY-FGZHOGPDSA-N", "SMILES:CC(C)S(=O)(=O)[C@]1(C)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)O4)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBAYYLTKSQPGE-UDSSINMLSA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOAIMLCWJRREG-UDSSINMLSA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMZOMTHYCJMWFQ-FVLCUVFVSA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OC(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KADCKFGWJPAORO-MXBUBSDBSA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYSHHKUPCMQJE-MXBUBSDBSA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWQQVAXYHDONA-DMKCZBPRSA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXPJSHCOSLGKK-MXBUBSDBSA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKMVDBQDDXULM-UXYIHQQYSA-N", "SMILES:O=C(O[C@H]1CN2Cc3cc4c(cc3[C@]13C=C[C@@H](O)C[C@H]23)OCO4)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZVFCBOEGRELML-UYILYCRRSA-N", "SMILES:O=C(O[C@H]1CN2Cc3cc4c(cc3[C@]13C=C[C@@H](O)C[C@H]23)OCO4)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRFVEMIXYSLDY-XBZMYCLCSA-N", "SMILES:COc1ccccc1C(=O)O[C@H]1CN2Cc3cc4c(cc3[C@]13C=C[C@@H](O)C[C@H]23)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSTAIJIERDEOBL-XFEVJDRUSA-N", "SMILES:O=C(O[C@@H]1C=C[C@]23CCN(Cc4cc5c(cc42)OCO5)[C@H]3C1)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHLZTODDWYJSII-UDSSINMLSA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-])[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVJVMBPVPXNEDR-BOSXTWCSSA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OC(=O)c1cccs1)[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXFJNWCPEAGJKA-OZIGNCPNSA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OC(=O)N1CCCCC1)[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNNCQYBQQUTKI-FKEBYFGASA-N", "SMILES:CO[C@H]1C[C@H]2C(=C[C@@H]1OCCN1CCCCC1)[C@H]1CN2Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZOKBBBAZICBJX-UDSSINMLSA-N", "SMILES:CO[C@H]1C=C2[C@H]3CN(Cc4cc5c(cc43)OCO5)[C@H]2C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUYOBFEURAONZ-UDSSINMLSA-N", "SMILES:CO[C@H]1C=C2[C@H]3CN(Cc4cc5c(cc43)OCO5)[C@H]2C[C@@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQHAFOWUQCIEC-OZIGNCPNSA-N", "SMILES:CO[C@H]1C=C2[C@H]3CN(Cc4cc5c(cc43)OCO5)[C@H]2C[C@@H]1OC(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPJLCDHKVALLN-UWSIMGETSA-N", "SMILES:Cc1ccccc1C(=O)O[C@@H]1C=C[C@]23CCN(Cc4cc5c(cc42)OCO5)[C@H]3C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJQSJGABQDJMQ-UGQOYBTKSA-N", "SMILES:COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@H]1N(C2)C[C@H]3OC(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUPUFVIXSYKRE-GDLZYMKVSA-N", "SMILES:Cc1nnn(C)c1-c1ccc2c3ncc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZLBZYYGQFQJZ-GDLZYMKVSA-N", "SMILES:Cc1nnn(C)c1-c1cc(F)c2c3ncc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIWLOFZSVQLGOB-GDLZYMKVSA-N", "SMILES:Cc1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@H](c1ccccc1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYVCWEWEPXYPNF-MUUNZHRXSA-N", "SMILES:Cc1nnn(C)c1-c1ccc2c3ncc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIWLOFZSVQLGOB-GNUZTRDVSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@H](c1ccccc1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPYSHCVNWGQBI-GNUZTRDVSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cc1Cl)c1ncc(C(C)(C)O)cc1n2[C@H](c1ccccc1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUESIHAGQSIQQN-MLBVKCQFSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cn1)c1ncc(C(C)(C)O)cc1n2[C@H](c1ccccc1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKFSJHHADBYMX-TVECXBKPSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@H](c1ncccc1F)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGYUCHNVCWIIN-MPJYBERFSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@H](c1cc(C)on1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOUBVJSLHNSNT-YLBAAZJRSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@@H](CCC)c1ncccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRZLEKLCDRWYFK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(-c4ccc5c(c4)OCO5)n3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLDOUBHTACKMM-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cccc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYZWQPFTGADMOX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(-c4cccc(OC)c4)n3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLLYPKRFIZQIZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(Nc4ccccc4OC)n3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUNBLWPPKQBAN-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nccc(-c2cc3c([nH]2)C2(CCN(C(=O)C#CN(C)C)CC2)CNC3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTMEHXNVBAXJT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(Nc4ccccc4OC)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFZHVUNVPMLSR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC2(CC1)CNC(=O)c1cc(-c3nc(Nc4ccccc4OC)ncc3Cl)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCZHXDIAWONMM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC2(CC1)CNC(=O)c1cc(-c3nc(Nc4ccccc4OC)ncc3C)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGCNUONHIJLJS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(Nc4ccccc4OC(C)C)n3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEKQZGJKRANWNS-UHFFFAOYSA-N", "SMILES:CNc1c(C(N)=O)nnn1Cc1cc(Cl)c(C(=O)c2ccc(Cl)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLIPEVQRKXPJMP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)C(c1ccc(F)cc1)N(C(=O)CCl)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBYNHOJECDEES-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHACKPFXKXOFAP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)C(c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNZZLZKAXGMMC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOKUPAOARJYWMG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NCc3ccc(OC(F)F)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXWXBDURHXOMZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NCc3ccc(CN4CCOCC4)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRSSCMHFOPRPHG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NCc3ccc4c(c3)COC4)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHSMAZQHXHOMTB-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NCc3cnc(C)nc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEUGBIPABWIFY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NCc3ccc(C(C)(C)O)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMSRDITOIJKGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NCc3ccc(C(C)(C)O)cc3F)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZGQNHWYFWGRG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NCc3ccc(S(C)(=O)=O)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IITUSZYDWNRBST-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NC3CN(c4ncc(C(F)(F)F)cn4)C3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOEPMPSERQUIPV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NC3CC(c4ccncc4)C3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHXUNEYIVZYZPT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC2Nc2ncnc3c2sc2nc(C)cc(C)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNQDPBBUKRJKD-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(OCc3ccc(C(C)(C)O)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPUPXLDSACGGAH-UHFFFAOYSA-N", "SMILES:COCC1CN(c2ncnc3c2sc2nc(C)cc(C)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIRHUQNBLNAPPR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(N3CC(F)(F)C3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTKWFIJQAERSC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(N3CC4CC4C3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKOKZALVXMYPI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NC3CCC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXPIUWTBYSLSS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(N3CCCC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDQGEDYCWLCIA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(N3CCC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEJIRPHETNSCOC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(N3CC4(COC4)C3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKOQZOEZSEGLT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(C3CCCCC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCEQUDNIPHGNIZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(C3CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCTCMKHODIKRHR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(C)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVIDWUBHBHHLSA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(C3CCOCC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVMPWRAUPNHRGS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(C3CCNCC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWQNYACTFSOFQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(C3CCN(C(=O)C4CC4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCLIIZCQIISGG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(C3CCN(C(=O)C4(C)CC4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQLFBQWALYVTRE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(-c3nccs3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYRRMVNROXPGA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)oc1c(NC3CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYYNPJSSNFDBB-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)oc1c(NC3CCC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLVZKRXMPGMCE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)oc1c(NC3CN(c4cc(Cl)ncc4Cl)C3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYHOZSVGHROGEX-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nccc3c2sc2nc(C)cc(C)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPFRDMLRTXJSQT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NCc3ccc(C(C)(C)O)cc3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPGNBVNEZAGRM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NC3CN(c4ncc(C(F)(F)F)cn4)C3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTONMHYTKKOJL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(N3CCCC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHGLZQRUWEIFV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(N(C)C)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOFNSSKQSKJBEW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NC3CCCC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHOYWSUWCNYBRA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NC3CCC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBWLKUMUVQEXMF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NCc3ccc(-n4ccnc4)nc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQOCKOFGOPSZMA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(NCc3ccc4c(n3)CCC4)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1978713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDNWGCQSCGNTKH-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3647052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDBWTMMKIZGUEZ-IEGYKGNPSA-N", "SMILES:C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386346", "category": ["biolink:ChemicalEntity"], "name": "RO-5045337", "xref": ["InChIKey:QBGKPEROWUKSBK-QPPIDDCLSA-N", "SMILES:CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1"], "synonym": ["Mdm2 antagonist ro5045337", "Ro-5045337", "R 7112", "RG-7112", "RG7112", "RO-5045337", "RO5045337"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWJVVXHTTNSLMY-QJJDVSLISA-N", "SMILES:CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCC(O)(c2ccccc2O[C@H](C)CCC2(C(=O)O)CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTVOTXDFANHFB-BISLGQEZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWGJKYEJBSBDL-UICZIBORSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGDANPPRQKFGBQ-VYPWCCQSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPTRJHDOCOMSST-HRWQKCLQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPZDKJYKIYSRD-WNRYCEPSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLUDBDDTFWDKX-MGEXDUFYSA-O", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCCCC[N+]1=C(/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZKCGCJNBZWMF-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc2nccc(N3CCCCC3)c2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYMQYNMISHUHRP-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccnc3sc(C(N)=O)c(N)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVACMLLVOGXSAG-UHFFFAOYSA-N", "SMILES:CC1CCCN(c2ccnc3sc(C(N)=O)c(N)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOTYNUCUYJBAJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc2nccc(N3CCCC(CO)C3)c2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCCCOLVVFHHPPW-UHFFFAOYSA-N", "SMILES:CCCOCC1CCCN(c2ccnc3c2C(N)=C(C(N)=O)C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSJYEBNZGXVJX-VIFPVBQESA-N", "SMILES:COC[C@H]1CCCN(c2ccnc3sc(C(N)=O)c(N)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSJYEBNZGXVJX-SECBINFHSA-N", "SMILES:COC[C@@H]1CCCN(c2ccnc3sc(C(N)=O)c(N)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAKYBVMJUXOFY-LBPRGKRZSA-N", "SMILES:CCOCCOC[C@H]1CCCN(c2ccnc3sc(C(N)=O)c(N)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYBWEASGXHCCA-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(CCCC(=O)N(C)C)cc2F)c2c(N)c(C(N)=O)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTZNEIRWLSUOE-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJYQXPEPWJEJK-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)N1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHXYUXZTVEQGY-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCC(=O)N1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDECLBVJEWGYNS-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCC(=O)N1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWRPGCUKNVQCF-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPUSRHHNVJGCT-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWUNEJXNVWAQM-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMLALVPUCTQJD-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJKPRMNBOMSSY-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTBKFRCFMXQCDB-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)N1CC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUMAWQHXFEOOJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCC(=O)N1CC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPAUWNMVKWLNAJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCC(=O)N1CC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXDNCZSHITFIU-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCDFPNNRBJJFAC-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGKVPFPKFZSHJE-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKTVMDGRQLSDNA-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHAOOAAWUCMEO-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGBYJLJZJMQTG-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSNLSQKZYITHZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UESFTOZETBVBMM-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAAATPFEYVRMDK-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHMGMVZHDSSPB-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQNUSLIVQYXQRA-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFXCJSHMIPSOV-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZSFWAWZVXRRIJ-SFHVURJKSA-N", "SMILES:C=CC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZSFWAWZVXRRIJ-GOSISDBHSA-N", "SMILES:C=CC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZSFWAWZVXRRIJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC(C)C(=O)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPEPSBHUOMPBHB-IBGZPJMESA-N", "SMILES:C=CC(=O)N(C)[C@@H](C)C(=O)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMGCXJZSMCVHC-GOSISDBHSA-N", "SMILES:C=CC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOJFWFFUKQLNAF-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N"]}
{"name": "Sulfide:quinone oxidoreductase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523512"], "id": "UniProtKB:Q9Y6N5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBKLNXCPDMGOO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(F)cc3)c(C#N)c(OC)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOCVZKGNIVRUSX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(-c3ccc(F)cc3)c(C#N)c(OC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYJIAALSWFCHIR-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGSHJKZMJFKNCE-UHFFFAOYSA-N", "SMILES:COc1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMUBDSCBVNHJT-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJXSQIITZGINI-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccn2)cc(C(C)(C)C)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPNVNWMMTXXJKR-UHFFFAOYSA-N", "SMILES:COCCOc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGFHKCAMENPFLK-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZHXWLQIAAJDES-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccc2)cc(-c2ccncc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPXCKZMCPSGYQU-UHFFFAOYSA-N", "SMILES:COc1nc(-c2cccnc2)cc(-c2ccc(F)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXOXNVWFOWICAY-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccncc2)cc(-c2ccc(F)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBPKAOGZDKORTR-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYVOUZRKECXKGO-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ncccc2C)cc(-c2ccc(F)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFTNFCQPOHTZDP-UHFFFAOYSA-N", "SMILES:C=CCOc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIQWKNTIQLVRE-UHFFFAOYSA-N", "SMILES:Cc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OCCN2CCN(C(=O)OC(C)(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCSQDVCJBCNLJ-UHFFFAOYSA-N", "SMILES:Cc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OCc2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSYJNCHUENWJEE-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ncccc2C)cc(-c2ccc(N)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLRMAXJLCJRFBD-UHFFFAOYSA-N", "SMILES:CCOc1nc2c(c(-c3ccc(F)cc3)c1C#N)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBIJDDDGNJMHCT-UHFFFAOYSA-N", "SMILES:COc1nc2c(c(-c3ccccc3)c1C#N)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNJITRXQKRPFY-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBKYIOVXUVZJE-UHFFFAOYSA-N", "SMILES:CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCJARWALWIYCW-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPRJWCWQZWIKKB-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXCKTZJVLSDWEI-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMBJJKHTDJLTGI-UHFFFAOYSA-N", "SMILES:CCOc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMKAHZQJBPLAB-CQOAVZOPSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTWSRCWNGGJTNL-SSYIFFNYSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDCISMLTIYNJFE-CQOAVZOPSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZJXMVSIPIQND-SSYIFFNYSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVPOLBOSKNBGA-IDPGMKSWSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@@H](C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRYFWSWPLXEAEH-PZHYQFSJSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@@H](C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201284", "category": ["biolink:ChemicalEntity"], "name": "CINACALCET", "xref": ["InChIKey:VDHAWDNDOKGFTD-MRXNPFEDSA-N", "SMILES:C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12"], "synonym": ["Cinacalcet", "Cinacalcet", "Cinacalcet", "Cinacalcet", "Cinacalcet", "AMG 073", "AMG-073", "AMG073", "KRN-1493", "KRN1493", "Cinacalcet"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1360563", "category": ["biolink:ChemicalEntity"], "name": "HEMATEIN", "xref": ["InChIKey:HLUCICHZHWJHLL-UHFFFAOYSA-N", "SMILES:O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5083913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTSQWCGMCLWWHG-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Cl)ccc2OC2c3oc4ccc(O)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXCVEFJMAVZQZ-QAQDUYKDSA-N", "SMILES:O=C(N[C@H]1C[C@H](c2nnc(-c3ccc(OC4CC4)cn3)n2-c2ccccc2F)C1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJBBAPZIEJXALN-IYARVYRRSA-N", "SMILES:CC(C)Oc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccccn4)C3)n2-c2ccccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTHVIRCESUQGGW-IYARVYRRSA-N", "SMILES:O=C(N[C@H]1C[C@H](c2nnc(-c3ccccc3)n2-c2ccccc2F)C1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOVZOMTUQFOVHB-SHTZXODSSA-N", "SMILES:O=C(N[C@H]1C[C@H](c2nnc(-c3cnccn3)n2-c2ccccc2F)C1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWFYBQXUHKDHFK-IYARVYRRSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccccn4)C3)n2-c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXEDATBIGRMBKW-SAABIXHNSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccccn4)C3)n2-c2cccc(Cl)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZBMHKJNVMACLY-QAQDUYKDSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccccn4)C3)n2-c2ccc(C)s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDFGKVCWJVPSP-SHTZXODSSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccccn4)C3)n2-c2ccc(Cl)s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQDCXZLOFBIDTL-IYARVYRRSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cccnc45)C3)n2-c2ccccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPULDGYAEIJQPF-IYARVYRRSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cccnc45)C3)n2-c2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCXDIHZJARDHP-SAABIXHNSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LETCCANMMYQIQS-IYARVYRRSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cccnc45)C3)n2-c2cccnc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLNPZHXPAFRSH-SAABIXHNSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2cccnc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXQSFAKWSOCGCB-IYARVYRRSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cccnc45)C3)n2-c2ccncc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBZCKAUIEYEKDQ-SAABIXHNSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2ccncc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZFEELDJKHLHK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nnc(C34CC(NC(=O)c5ccnc6cccnc56)(C3)C4)n2-c2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZKVDNESTXVCH-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nnc(C34CC(NC(=O)c5ccnc6cccnc56)(C3)C4)n2-c2cccnc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNNNQBBGAPVML-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nnc(C34CC(NC(=O)c5ccnc6cccnc56)(C3)C4)n2-c2ccncc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHGRLUMLHIHNBB-IYARVYRRSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cccnc45)C3)n2-c2ccc(C)s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGDVBDMHHLCSCE-SAABIXHNSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2ccc(C)s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKBCDIBXHZMZGY-MXVIHJGJSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4cccc5cccnc45)C3)n2-c2ccc(C)s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARCOJIXZDJYBCH-IYARVYRRSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4cccc5nccnc45)C3)n2-c2ccccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBZQUAWRAWCPMS-SAABIXHNSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4cc(F)cc5nccnc45)C3)n2-c2ccccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWILLPSBEWXMPI-WGSAOQKQSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4cccc5ncc(C)nc45)C3)n2-c2ccccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEHXRALKSTBML-WGSAOQKQSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4cccc5nc(C)cnc45)C3)n2-c2ccccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQVRVDAGFYXDR-MXVIHJGJSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4cccc5nc(C)c(C)nc45)C3)n2-c2ccccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTADRXJOCSNRTE-WKILWMFISA-N", "SMILES:O=C(N[C@H]1C[C@H](c2nnc(-c3ccc(OC(F)F)cn3)n2-c2ccccc2F)C1)c1cccc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXFIJDSECDZRLH-KOMQPUFPSA-N", "SMILES:O=C(N[C@H]1C[C@H](c2nnc(-c3ccc(OC(F)F)cn3)n2-c2ccccc2F)C1)c1cc(F)cc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJLWWFZKVSGPLU-QAQDUYKDSA-N", "SMILES:O=C(N[C@H]1C[C@H](c2nnc(-c3ccccn3)n2-c2ccccc2F)C1)c1cccc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFDJHIWAMYVGE-JCNLHEQBSA-N", "SMILES:O=C(N[C@H]1C[C@H](c2nnc(-c3ccccn3)n2-c2ccccc2F)C1)c1cc(F)cc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEZKKJZVSAMTSH-IYARVYRRSA-N", "SMILES:Cc1cccc(-c2nnc([C@H]3C[C@H](NC(=O)c4cccc5nccnc45)C3)n2-c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNKZBUDGFPCIJ-SAABIXHNSA-N", "SMILES:Cc1cccc(-c2nnc([C@H]3C[C@H](NC(=O)c4cc(F)cc5nccnc45)C3)n2-c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBRBBDJXHBEGHX-QAQDUYKDSA-N", "SMILES:CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccccn4)C3)n2-c2ccccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077861", "category": ["biolink:ChemicalEntity"], "name": "OPNURASIB", "xref": ["InChIKey:AZUYLZMQTIKGSC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(cnn5C)c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"], "synonym": ["Opnurasib", "Opnurasib", "Opnurasib", "Jdq 443", "Jdq-443", "Nvp-jdq-443", "Opnurasib", "JDQ443", "Opnurasib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUPRITQRUGZDCP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc(-n5cncn5)cc4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRKMFMVUAVVPX-DEOSSOPVSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(cnn5CCN5CC[C@H](F)C5)c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXBTYIAQLFXJD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc(N5CCC5=O)cc4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEIQJBZDZNMNKY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc(CC(C)(C)O)cc4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMRFQNRWUDQEIV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc(OCCO)cc4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZMYEHNEJUGZRW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(c4)OC(CO)C5)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBFKXIQUNKTIN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5nn(CCOC)cc5c4)c(-c4c(Cl)c(C)cc5[nH]nc(N)c45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADIYNOZLHTLSN-DEOSSOPVSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(c4)CCN5C(=O)CN4CC[C@H](F)C4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYROLBLQVASEBX-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3ccc(C4CCN(S(=O)(=O)C5CC5)C4)cc3c2F)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDVJLRHZAYBHC-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)CCOc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIFWJQAGHBRNHU-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3ccc(-c4cnn(CC5CC5)c4)cc3c2F)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUMUNQAHQUYRBJ-VIFPVBQESA-N", "SMILES:C[C@H](O)CCOc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWRAIFJAPDBFC-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3ccc(NCCN4CCC4)cc3c2F)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMGFSKWFRNUOR-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3ccc(OCCC4CC4(F)F)cc3c2F)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILXHPHHLYDHSF-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3ccc(NCCC4CC4)cc3c2F)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHZHAOCIWPBRDK-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3ccc(OCC4CCCOC4)cc3c2F)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKUZEVZBNXLFJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC=C(c2ccc3cc(O)c(N4CC(=O)NS4(=O)=O)c(F)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCICFGUQUGUBQ-UHFFFAOYSA-N", "SMILES:CC(C)CCS(=O)(=O)N1CC=C(c2ccc3cc(O)c(N4CC(=O)NS4(=O)=O)c(F)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNCWBAUKIVNKV-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)CCOc1cc2c(F)c(N3CC(=O)NS3(=O)=O)c(O)cc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJFAWAPCPLQEPX-UHFFFAOYSA-N", "SMILES:O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2cc(cc(N3CCC4(COC4)C3)c2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRFIPUKXVHQUTE-UHFFFAOYSA-N", "SMILES:O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2cc(cc(N3CCN(C4COC4)CC3)c2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCHVUCUEOINMV-UHFFFAOYSA-N", "SMILES:O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2cc(cc(N3CCC(N4CCCC4)CC3)c2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWSKTOIXGKJTN-UHFFFAOYSA-N", "SMILES:O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2cc(cc(N3CCC(N4CCOCC4)CC3)c2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDRYIFALCNAGQF-UHFFFAOYSA-N", "SMILES:O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2ccc(C3CC3)c(c2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZBIABXRLNQRW-UHFFFAOYSA-N", "SMILES:O=C1NCCCOc2ccc3[nH]nc(c3c2)-c2csc(n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTOYENNQLJQPQ-XNTDXEJSSA-N", "SMILES:O=C(NC/C=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21)NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRSBXLHEUPMBI-WUXMJOGZSA-N", "SMILES:O=C(NC/C=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHONPHNMMRLHGK-XNTDXEJSSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)cc1)OC/C=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXYJAAQIIOGIT-WUXMJOGZSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)OC/C=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPAOLDCFWMXVHM-LFIBNONCSA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)NC/C=C2\\CCCc3cnn(Cc4ccc(Cl)cc4Cl)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAIESRONUNAIG-LFIBNONCSA-N", "SMILES:COc1ccccc1S(=O)(=O)NC(=O)NC/C=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZSWSPIBZKSHO-OQLLNIDSSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)NC(=O)NC/C=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLMIPLGBIOZGN-RIYZIHGNSA-N", "SMILES:O=C(NC/C=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21)NS(=O)(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIDTDNXYIDWRH-MHWRWJLKSA-N", "SMILES:O=C(NC/C=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21)NS(=O)(=O)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJKZGWBQROAKJ-OVCLIPMQSA-N", "SMILES:Cc1nc(C)c(S(=O)(=O)NC(=O)NC/C=C2\\CCCc3cnn(Cc4ccc(Cl)cc4Cl)c32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTIXZSCAKYBOJX-VGOFMYFVSA-N", "SMILES:Cc1ncc(S(=O)(=O)NC(=O)NC/C=C2\\CCCc3cnn(Cc4ccc(Cl)cc4Cl)c32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJEAPEUMRQMRSB-VGOFMYFVSA-N", "SMILES:Cn1cc(S(=O)(=O)NC(=O)NC/C=C2\\CCCc3cnn(Cc4ccc(Cl)cc4Cl)c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBJIGSFXIGHYLJ-XYOKQWHBSA-N", "SMILES:O=C(NC/C=C1\\CCCc2cnn(-c3ccc(C(F)(F)F)cc3)c21)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPAQTPYSJWCDM-UKTHLTGXSA-N", "SMILES:CS(=O)(=O)c1ccc(-n2ncc3c2/C(=C/CNC(=O)NS(=O)(=O)c2cc(Cl)c(Cl)s2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGGWMKRWJLMKQ-KPKJPENVSA-N", "SMILES:COc1ccc(-n2ncc3c2/C(=C/CNC(=O)NS(=O)(=O)c2cc(Cl)c(Cl)s2)CCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILPXBLLFWSQTCF-LZYBPNLTSA-N", "SMILES:O=C(NC/C=C1\\CCCc2cnn(C3CCN(c4ccc(F)cc4)CC3)c21)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDSCCWUMMYLMSX-VZCXRCSSSA-N", "SMILES:O=C(NC/C(F)=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21)NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOHZGSOPOKUQR-VZCXRCSSSA-N", "SMILES:O=C(NC/C(F)=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21)NS(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLFDFHEKNKNCQ-ZZEZOPTASA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)NC(=O)NC/C(F)=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJTZTOFZHZSII-UZYVYHOESA-N", "SMILES:COc1ccc(S(=O)(=O)NC(=O)NC/C(F)=C2\\CCCc3cnn(Cc4ccc(Cl)cc4Cl)c32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVZXYPCVKQUFI-VKAVYKQESA-N", "SMILES:O=C(NC/C(F)=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYUOIRIANAUUOH-VLGSPTGOSA-N", "SMILES:Cc1cc(S(=O)(=O)NC(=O)NC/C(F)=C2\\CCCc3cnn(Cc4ccc(Cl)cc4Cl)c32)sc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAMSRTKAOOMDOJ-VZCXRCSSSA-N", "SMILES:O=C(NC/C(F)=C1\\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21)NS(=O)(=O)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIUYFAIAWWHKT-ZPHPHTNESA-N", "SMILES:Cc1nc(C)c(S(=O)(=O)NC(=O)NC/C(F)=C2\\CCCc3cnn(Cc4ccc(Cl)cc4Cl)c32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFKICTCSFWHWMW-ICFOKQHNSA-N", "SMILES:O=C(NC/C(F)=C1\\CCCc2cnn(Cc3ccc(C(F)(F)F)cc3)c21)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEWFQCITXBDBC-PEZBUJJGSA-N", "SMILES:O=C(NC/C(F)=C1\\CCCc2cnn(-c3ccc(C(F)(F)F)cc3)c21)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDORMIJHWBUALN-VZCXRCSSSA-N", "SMILES:O=C(NC/C(F)=C1\\CCCc2cnn(C3CCN(c4ccc(F)cc4)CC3)c21)NS(=O)(=O)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBGVSFASJGQKA-UQKRIMTDSA-N", "SMILES:CNCc1cc(OC)cc2c1CN(c1cccc(-c3nncn3[C@@H](C)C3CC3)n1)C2=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMEVCSXODVPAQF-YDALLXLXSA-N", "SMILES:COc1cc(CN)c2c(c1)C(=O)N(c1cccc(-c3nncn3[C@@H](C)CC(F)(F)F)n1)C2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MALYJVFAHYCCAV-HNNXBMFYSA-N", "SMILES:CC[C@H](C)n1cnnc1-c1cccc(N2Cc3c(CNC)cc(N(C)C)cc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPBEGTUILEKAE-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(S(N)(=O)=O)c1)CN(c1cccc(-c3nncn3C(C)C)n1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSYFMYSFTITYLN-KRWDZBQOSA-N", "SMILES:CC[C@H](C)n1cnnc1-c1cccc(N2Cc3c(CNC)cc(N4CCCC4)cc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGLVFKXVZJWDM-HNNXBMFYSA-N", "SMILES:CC[C@@H](CC(F)(F)F)n1cnnc1-c1cccc(N2Cc3c(CNC)cc(OC)cc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKBBFFLPBGDKLW-PIXFVPMGSA-N", "SMILES:C/C(=C\\C=C\\P(=O)(O)O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWIRGEXWKOPUNG-RQCPZROWSA-L", "SMILES:CC(C)=C/C=C/P(=O)([O-])[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFGPMEOWAJKLPV-UHFFFAOYSA-N", "SMILES:CCCCCOc1cc2c(cc1-n1c(C(F)(F)F)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NELPEUCFJDAMAF-UHFFFAOYSA-N", "SMILES:CCCCCCOc1cc2c(cc1-n1c(C(F)(F)F)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQLTXYIYODZMDS-UHFFFAOYSA-N", "SMILES:CCCCCOc1cc2c(cc1-n1nnc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIOKSPZUTVTTSH-UHFFFAOYSA-N", "SMILES:CCCCCCOc1cc2c(cc1-n1nnc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL137803", "category": ["biolink:ChemicalEntity"], "name": "ISOALANTOLACTONE", "xref": ["InChIKey:CVUANYCQTOGILD-QVHKTLOISA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=C)[C@@H]3C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2376559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTLRXTDMXOFBDW-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCAACZFPADQMAR-UHFFFAOYSA-N", "SMILES:COCCOCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPMPUUOFPPKQC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=CC3ON=C(c4ccccc4)C3C(=O)N2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCCGRKQGHMWMG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cn2cc(-c3ccccn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLECAKVNZMDMNS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPTUMFVYBXSMZ-JOCHJYFZSA-N", "SMILES:Cc1cc(C)cc([C@@H]2c3cc(C)ccc3NC(=O)CN2C(=O)c2ccc(Br)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPTUMFVYBXSMZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C2c3cc(C)ccc3NC(=O)CN2C(=O)c2ccc(Br)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHKQIFYQWJQAB-HXUWFJFHSA-N", "SMILES:Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(Br)o1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHKQIFYQWJQAB-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(c1ccc(F)cc1)N(C(=O)c1ccc(Br)o1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZYLKXWWUKEBA-QUDUTUPQSA-N", "SMILES:C/C=C1\\NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSC(=O)CCCCCCC)OC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGKVKLQBOOZORR-AMGPRCMWSA-N", "SMILES:C/C=C1\\NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSSCCCCCCC)OC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICXIENSVIWZLA-BHZGEQHOSA-N", "SMILES:C/C=C1\\NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSSCCCCCCC)OC(=O)[C@H](CCCCNC(=O)CCCCC[N+]2=C(/C=C/C=C/C=C3/N(CC)c4ccc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5c4C3(C)C)C(C)(C)c3c2ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc32)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUHEQROQNUIBK-JOCHJYFZSA-N", "SMILES:Cc1cc(C)cc([C@@H]2c3cc(C)ccc3NC(=O)CN2C(=O)c2ccc(Br)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUJHETHEHGPHGG-QTLTXIGXSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWGRWJRHABYKM-QAHCZRAYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)CSSC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNPAYNKXSUGFT-IXZDDLHDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVECPJIQTMNMTR-CNROJPASSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKHNMQFBKLNOCI-DMRDDLCMSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXGXTMRQPLMIS-YGQQEMPPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUJWBRUYSSKFF-LLTKHFKUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAUDNDMMZZHVFI-REHFDBIXSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAJGEMIHUWQCA-DCGQHTSRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWIPAYWPYMPEA-QTLTXIGXSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUIMNUYYWZUYNL-ULCWREKVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHZBPYWRMHATAR-UHFFFAOYSA-N", "SMILES:COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRSWPNWVMMWLCI-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2cccnc2Nc2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBZBPSOGSNHLZ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1NC(=O)N(C)c1cc(N)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXRGFFOQDIYEY-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1NC(=O)c1cccc2c(N)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDAWOXWBJZZJW-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQLDGVVHXUHEEY-HZJYTTRNSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCCC1(O)CC(=O)c2c(O)cc(O)cc2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4087528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHDPQZKDJWISMD-PDBXOOCHSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC1(O)CC(=O)c2c(O)cc(O)cc2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5089751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVZNRJGOKBDRJJ-BQYQJAHWSA-N", "SMILES:CCCC/C=C/CCCCCCCCCC1(O)CC(=O)C2=C(O)C(C)C(O)C(C)=C2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWUVYWDOUWANU-UHFFFAOYSA-N", "SMILES:CCc1ccc2nc(N(CCNC3CCCC3)c3ccc(OC)c(OC)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITXTYOPPMVHVPK-OCCHSUAVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(C(C)=O)CC3)c3ccc(C)c(Cl)c3)CC2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVLOKOTDGTSLO-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(=O)O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENXDXHDXYVGRJ-BLVKFPJESA-N", "SMILES:COC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTQHMHHEKFOBRX-XCLFUZPHSA-N", "SMILES:CCNC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTDHGBJLMBQHOW-BPJPHOPQSA-N", "SMILES:COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H]([C@@H](C)C(=O)NCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQRLSWTZZAEDJT-GEBVEDRFSA-N", "SMILES:COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H]([C@@H](C)C(=O)NCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHROMACDCQYFI-UGMMWQEMSA-N", "SMILES:COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H]([C@@H](C)C(=O)NCCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHQWIDWRQKTQA-NPAXQWNBSA-N", "SMILES:COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H]([C@@H](C)C(=O)NCCOCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYVYFXANYPFJHA-QXWTZTBTSA-N", "SMILES:COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H]([C@@H](C)C(=O)NCCOCCOCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGQPZPLJOBHHBK-UFXYQILXSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL137386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKEOGEXDEKIDNA-GIJQJNRQSA-N", "SMILES:CC(C)CC(C/C=C1\\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPQMLDDHGHTAG-CNHKJKLMSA-N", "SMILES:Cc1cc(OCC2(CO)C/C(=C\\CC(CC(C)C)CC(C)C)C(=O)O2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUNLUBWNLTZFLB-FOKLQQMPSA-N", "SMILES:Cc1ccc(-c2cn(CC3(CO)C/C(=C\\CC(CC(C)C)CC(C)C)C(=O)O3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLMYLMJZSVMKQJ-SRZZPIQSSA-N", "SMILES:CC(C)CC(C/C=C1\\CC(CO)(Cn2nnc(-c3ccccc3)n2)OC1=O)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKERXAQSXFSAIU-BRWVUGGUSA-N", "SMILES:Cc1cn([C@H]2C[C@@H](n3cc(COc4ccc(S(N)(=O)=O)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUZPAHPBEBDURD-BRWVUGGUSA-N", "SMILES:Cc1cn([C@H]2C[C@@H](n3cc(COC(=O)c4ccc(S(N)(=O)=O)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDLXXAQKDPZINZ-BRWVUGGUSA-N", "SMILES:Cc1cn([C@H]2C[C@@H](n3cc(CNC(=O)Nc4cccc(S(N)(=O)=O)c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGFBOOZLDNOSG-BHIYHBOVSA-N", "SMILES:Cc1cn([C@H]2C[C@@H](n3cc(COc4ccc5oc(=O)ccc5c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDJJRDLUGCOEH-BHIYHBOVSA-N", "SMILES:Cc1cn([C@H]2C[C@@H](n3cc(COc4ccc5c(c4)C=CS(=O)(=O)O5)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVZDDDSDYBRLV-YYHFWCTESA-N", "SMILES:CC(C)C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)CCC2CCCCC2)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)Cc2ccc3c(c2)OCO3)CC(=O)N[C@@H](CC(C)C)C(=O)N(CC(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYLQIADCJWBNS-HXRSGTAXSA-N", "SMILES:COc1cc(CC(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(CC(N)=O)C(=O)CCSCc3ccc(cc3)C(=O)N[C@@H](CCCCN)CN(C(=O)CCC3CCCCC3)CC(=O)N[C@@H](Cc3ccccc3)CN(C(=O)CCc3ccccc3)CC(=O)N[C@@H](Cc3ccccc3)C2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBSJTAILDXZBAL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Oc1cc(OC(=O)Nc2ccccc2)c2c(c1)N(C(c1ccc(F)cc1)c1cccc(Cl)c1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFOQCBJGRHWKT-UHFFFAOYSA-N", "SMILES:O=C(O)CCC1=C(C(=O)O)Cc2cc(Cl)cc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414", "category": ["biolink:ChemicalEntity"], "name": "CARZENIDE", "xref": ["InChIKey:UCAGLBKTLXCODC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)O)cc1"], "synonym": ["Carzenide", "Carcenida", "4-sulfamolybenzoic acid", "P-sulfamoylbenzoic acid", "Para-carboxybenzenesulfonamide (weak carbonic anhydrase inhibitor)", "NSC-22976"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5080007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGZMRMPXXPSDEZ-CBLPJQPBSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GURZUWFSGGFJLA-FTQJZPFOSA-N", "SMILES:CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTTZMTALGLMYHD-UTGUJQJDSA-N", "SMILES:CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCTYTTWXFJGIJ-UTGUJQJDSA-N", "SMILES:CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNFVVHGNPZAFL-FTQJZPFOSA-N", "SMILES:CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQMONGDBUTBPY-VPOMQUIYSA-N", "SMILES:CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZJJYZNRPSOHRZ-JOCQHMNTSA-N", "SMILES:Cn1c(N[C@H]2CC[C@H](O)CC2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C"]}
{"name": "Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3621036"], "id": "UniProtKB:P13995", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILEKCBRCJDWEIR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc3c(c(=O)n(Cc4cc5c(Cl)cccc5[nH]4)c(=O)n3C)n2C)nc(CCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGAMFGGJSDSQCT-KRWDZBQOSA-N", "SMILES:Cn1c(Nc2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGQGEPKBLLWTIL-SFHVURJKSA-N", "SMILES:Cn1c(Nc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGCVZTAPKMDJBU-FQEVSTJZSA-N", "SMILES:Cn1c(Nc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)nc2c1c(=O)n(Cc1cc3c(Cl)cccc3[nH]1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMYOSHOHRUQSI-UHFFFAOYSA-N", "SMILES:Cn1c(NC(=O)Nc2ccc(C(=O)O)cc2)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPWQHDZSQRWHV-SFHVURJKSA-N", "SMILES:Cn1c(NC(=O)Nc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQDVZMETQWVQD-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(NC(=O)Nc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)c(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXIYAFVCREOAY-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccccc1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5083124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BREBBHBAULZBKV-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccccc1F)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTXCAEHXXGPLNS-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1cccc(F)c1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBCGCUGPGYHII-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccc(F)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZYHNXFAFNVTF-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccccc1Cl)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKBRDBYCHKQPE-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1cccc(Cl)c1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXGALQLWURYLIW-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccc(Cl)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHVNZRSOYFOIJ-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccc(Cl)cc1Cl)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRRQJXDWSZDQO-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccccc1Br)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSDWKVZMTWOND-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1cccc(Br)c1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEIZHQQOKHUGN-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccc(Br)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVBCXBBCPNOBIK-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccc(C)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOXCFNVAAYFKKP-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(=O)c3ccc(OCC=C(C)C)cc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYWGNMWEJXUKT-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccc(C)cc1C)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVIKPIDTOJTHV-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(=O)c3ccc(OCC=C(C)C)cc3O2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUHOFPRGVXWYBM-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1ccc2c(c1)OC(c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSJHPLGMXDPQW-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5083618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRQZVNGPRPVUSD-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccccc1F)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREOHUPBIMSFBR-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1cccc(F)c1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLITWBMRNHLTA-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccc(F)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MASJCWLYMVIRBN-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccccc1Cl)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJREJMGTQTIQK-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1cccc(Cl)c1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WETLIVSWXVAAME-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccc(Cl)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZJXJCLRSCYGV-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccc(Cl)cc1Cl)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXAXMGHFZOVAU-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccccc1Br)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBOGMLMFJVRAV-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1cccc(Br)c1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKRJGCOAZMTFG-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccc(Br)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFLMIFYGFWTMSX-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccc(C)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOPBOGVRHQHSH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(=O)c3c(O)cc(OCC=C(C)C)cc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOVKTLZRFAVJNT-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccc(C)cc1C)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIRZEQRNUROEHX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(=O)c3c(O)cc(OCC=C(C)C)cc3O2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXGGEGJYNMWHAD-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5076109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZILAFFYNWNJL-YOQSVJHZSA-L", "SMILES:CCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(=O)([O-])[O-])O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYSSPGUWDXDQRK-ILJGVBHZSA-L", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(=O)([O-])[O-])O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDHOKPZNHNTILT-MBCOJTBISA-N", "SMILES:Cn1cc(NC(=O)c2cc(NC(=O)CCS(C)(=O)=O)cn2C)cc1C(=O)NCC(=O)NCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBSLOALFQMCPJZ-DKZRBDGCSA-N", "SMILES:Cn1cc(NC(=O)c2cc(NC(=O)CCS(C)(=O)=O)cn2C)cc1C(=O)NCCC(=O)NCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLVFYGTVQDMLBR-DQCVJDSOSA-N", "SMILES:Cn1cc(NC(=O)c2cc(NC(=O)CCS(C)(=O)=O)cn2C)cc1C(=O)NCCCC(=O)NCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFMJQESZNYYZGG-MBCOJTBISA-N", "SMILES:COS(=O)(=O)CCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCC(=O)NCCCCCC[C@@H]3Cc4cc(O)ccc4[C@H]4CC[C@]5(C)[C@@H](O)CC[C@H]5[C@H]34)n(C)c2)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMMMPEWURBWJPO-UHFFFAOYSA-N", "SMILES:Cc1nc(N(C)c2ccc3c(c2)cc(C)n3C)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNXJZUYPUTQOA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCN(Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)C(=O)CCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEJSNOCFGDCKD-UHFFFAOYSA-N", "SMILES:CC(OC(=O)CCCC(=O)N(CCS(C)(=O)=O)Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)c1cc2c(o1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOSJENCHVOYJS-IXPVHAAZSA-N", "SMILES:N[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHZTWSOBKLCAM-AXAPSJFSSA-N", "SMILES:N[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYWNRDHEXYZIX-VISXPRAWSA-N", "SMILES:CNc1ncnc2c1ncn2[C@@H]1SC[C@@H](N)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCYPWSQPDXUBPV-UHFFFAOYSA-N", "SMILES:NC(=O)c1nnc2ccccc2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSNCHZFKYVCLEY-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2nc3ccccc3[nH]2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSXNTGAFSVILG-UHFFFAOYSA-N", "SMILES:Oc1n[nH]c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVWNVWACWAWYOX-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccccn2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVOIBEVPZKHMKO-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2cccnc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCPQVPPKGZDFJ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2n[nH]c(=O)[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLSKAIJTZHEET-UHFFFAOYSA-N", "SMILES:COc1ncccc1-c1n[nH]c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUZLUWKZRZUHT-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2n[nH]c(=O)[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSLBVNBZORGBGX-UHFFFAOYSA-N", "SMILES:CC(C)COc1cccc(-c2n[nH]c(=O)[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEHIBTCERGZRAR-UHFFFAOYSA-N", "SMILES:Cc1cc(OC(C)C)nc(-c2n[nH]c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZANHPSKQLIDSI-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2cc3ccccc3cn2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YACQXYBWOZEEBK-UHFFFAOYSA-N", "SMILES:COc1nc(-c2n[nH]c(=O)[nH]2)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMLLBKCJSGEWBD-UHFFFAOYSA-N", "SMILES:COc1nc2ccccc2cc1-c1n[nH]c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHTTUBBYQVKYBV-UHFFFAOYSA-N", "SMILES:CCOc1nc(-c2n[nH]c(=O)[nH]2)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSVXBVAIHKLITN-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2n[nH]c(=O)[nH]2)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWJWDUDJFCEAHB-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(-c2n[nH]c(=O)[nH]2)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMMHPCZFSDSGPW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc(-c2n[nH]c(=O)[nH]2)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZETZTSTJHDEFY-UHFFFAOYSA-N", "SMILES:CCCOc1nc(-c2n[nH]c(=O)[nH]2)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFGTVWDQSBQMBM-LBPRGKRZSA-N", "SMILES:CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMUHMBGRATXMK-GFCCVEGCSA-N", "SMILES:C=CC(=O)N1CC[C@@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073622", "category": ["biolink:ChemicalEntity"], "name": "TAK-020", "xref": ["InChIKey:HIMUHMBGRATXMK-LBPRGKRZSA-N", "SMILES:C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccccc23)C1"], "synonym": ["Tak-020"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMTZQWVQFDIBG-HHHXNRCGSA-N", "SMILES:CCCC(CCC)C(=O)O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMTZQWVQFDIBG-MHZLTWQESA-N", "SMILES:CCCC(CCC)C(=O)O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNZBBTJFOIOEMP-HXUWFJFHSA-N", "SMILES:O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNZBBTJFOIOEMP-FQEVSTJZSA-N", "SMILES:O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOGSYWIPRKHQE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cn[nH]c2)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMJXMJWNDVXZDV-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)c(-c2cn[nH]c2)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVGJXZENXZDIF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRANZECSVKDQPO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXCKDFIIQMVMY-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLUHSVVGRQBIMO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBZAPXRBEJAYHN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)c(-c2cn[nH]c2)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCFOJAIMOGNIPT-UHFFFAOYSA-N", "SMILES:CCP(=O)(CC)c1ccccc1Nc1nc(Nc2cc(-c3cnn(C)c3)c(N3CCOCC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHVJJUFEBUGJS-RHLYTPARSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(-c5ccccc5)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRWPJHWJHYRESN-RMGIMPTCSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(C)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDZPTJGCMJSBF-BHKYNAABSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(-c5ccoc5)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZNIVHFLXEGAU-QOXPBLFJSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4cccc(-c5ccoc5)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLVXYNJWAQAAZ-FYSGPMATSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNZECADAWJWLC-SZAQSYAXSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4cccc(C)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWOZLFOEDGOVTH-FYSGPMATSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4ccc(-c5ccccc5)c(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGDMHYDIFKDFJ-QOXPBLFJSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4ccc(-c5ccoc5)c(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVVXBEUPUHSBFW-SZAQSYAXSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4ccc(C)c(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXKGWRJPMUEOCU-FVHUTFJASA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4ccc(-c5ccccc5)c(OC)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAWUTGDJUMVVMF-PWAHGHQFSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4ccc(-c5ccoc5)c(OC)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMEMWLJSKOBNQJ-WULFEUASSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4ccc(C)c(OC)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXIPPFSKVMDYTR-GQLUPZQESA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4c(-c5ccccc5)ccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFYVVCNZSAZMEN-SVUSOSOOSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4c(-c5ccoc5)ccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGLRRJYZXAXBRC-GFYCDPFGSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4c(C)ccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEMAHNXZHRGBCY-SJEWKUCVSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4c(-c5ccccc5)ccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCUQWHXCGQOHW-GYBCYKPISA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4c(-c5ccoc5)ccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKYKGLSIRFBRPG-RYODPJSRSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4c(C)ccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL61630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYENLSMHLCNXJT-CYXFISRXSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMRJXGBAOAMLHD-AGMYMXDYSA-N", "SMILES:CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1234282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWCAVRRXKJCRB-CXNFULCWSA-N", "SMILES:CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "Fucose-binding lectin PA-IIL", "xref": ["CHEMBL.TARGET:CHEMBL4523938"], "id": "UniProtKB:Q9HYN5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQXLYUJJUGELE-LYOLPOPCSA-N", "SMILES:CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OCCOCCn2cc(COCC(COCc3cn(CCOCCO[C@@H]4O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)nn3)N3C=C(CN(Cc4cn(C(COCc5cn(CCOCCO[C@@H]6O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]6OC(C)=O)nn5)COCc5cn(CCOCCO[C@@H]6O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]6OC(C)=O)nn5)nn4)C(=O)c4ccc(-c5cn(CCCCCCCCCCN=[N+]=[N-])nn5)cc4)NN3)nn2)O[C@@H](C)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYEZETLQYJMFRF-VTTVOPMBSA-N", "SMILES:C[C@@H]1O[C@@H](OCCOCCn2cc(COCC(COCc3cn(CCOCCO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)N=[N+]=[N-])nn2)[C@@H](O)[C@H](O)[C@@H]1O.OC[C@H]1O[C@@H](OCc2cn(CCCOc3cc4c(OCCn5cc(CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)nn5)cc3Cc3cc(OCCn5cc(CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)nn5)c(cc3OCCn3cc(CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)Cc3cc(OCCn5cc(CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)nn5)c(cc3OCCn3cc(CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)Cc3cc(OCCn5cc(CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)nn5)c(cc3OCCn3cc(CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)Cc3cc(OCCCn5cc(CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)nn5)c(cc3OCCn3cc(CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)C4)nn2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWJQXZNLFNMIHE-AHRODOEDSA-N", "SMILES:C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISMPQYNARQTPQQ-ULMSCDGUSA-N", "SMILES:C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3ccc(OCF)cn3)ccc2F)[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTQMLVAKQYOIKN-NHTJXEOOSA-N", "SMILES:C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cc4c(cn3)OCCC4)ccc2F)[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNYJWRRSKILGT-NHTJXEOOSA-N", "SMILES:C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cc4c(cn3)CCCO4)ccc2F)[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXFKYHWRXWVOF-IBGZPJMESA-N", "SMILES:Cc1nc(C(=O)Nc2ccc(F)c([C@]3(C)Cn4nc(C#N)cc4C(N)=N3)c2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFCYNPWRFXORF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(=O)n(CC(C)(C)C(=O)O)c(=O)[nH]/c2=N\\c2ccc(OC(C)C)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3967323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBUWYWPQCDLCBD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(/N=c2\\[nH]c(=O)n(CC(C)(C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4109356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDABNWEOFSFAF-CQSZACIVSA-N", "SMILES:CC(C)Oc1ccc(/N=c2\\[nH]c(=O)n(C[C@@H](C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDABNWEOFSFAF-AWEZNQCLSA-N", "SMILES:CC(C)Oc1ccc(/N=c2\\[nH]c(=O)n(C[C@H](C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMGKRXZPVGBES-INIZCTEOSA-N", "SMILES:Cc1ccc(Cn2c(=O)n(C[C@H](C)C(=O)O)c(=O)[nH]/c2=N\\c2ccc(OC(C)C)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3976397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLSNMXBBXKVGK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(=O)n(CCCC(=O)O)c(=O)[nH]/c2=N\\c2ccc(OC(C)C)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZMIXQUMLQDCK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(/N=c2\\[nH]c(=O)n(CCCC(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVLPRWHJRHKWQM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3965596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVREEYRNJNDLQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKBMAZPUXNVOD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGHQEUUFNBPHY-KRWDZBQOSA-N", "SMILES:CC(C)Oc1ccc(/N=c2\\[nH]c(=O)n(C[C@H](O)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGHQEUUFNBPHY-QGZVFWFLSA-N", "SMILES:CC(C)Oc1ccc(/N=c2\\[nH]c(=O)n(C[C@@H](O)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3930565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHFRKDECPOECP-AWEZNQCLSA-N", "SMILES:CC(C)Oc1ccc(/N=c2\\[nH]c(=O)n(C[C@H](C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRURKYTUGHQPD-INIZCTEOSA-N", "SMILES:Cc1cc(/N=c2\\[nH]c(=O)n(C[C@H](C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)ccc1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGSMTUTGMMREV-HNNXBMFYSA-N", "SMILES:CC(C)Oc1ccc(/N=c2\\[nH]c(=O)n(C[C@H](C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLKULNXRWSLPX-INIZCTEOSA-N", "SMILES:CC(C)COc1ccc(/N=c2\\[nH]c(=O)n(C[C@H](C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEQUTLFYLILHFN-HNNXBMFYSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(OC3CCC3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAJONDZRAPFIL-HNNXBMFYSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(OCC3CC3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSSZJKSMZININT-KRWDZBQOSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3ccccc3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDMOZWXPSAXGA-AWEZNQCLSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3ncco3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRZWTKSLSVVNHS-AWEZNQCLSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTPJNCUEPMJCAH-AWEZNQCLSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3nccs3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRXULZQMXCQLIN-AWEZNQCLSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKZQFKBIJUXXCG-INIZCTEOSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLDCBSYXNJSLN-INIZCTEOSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3cccnc3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQLKQHCRGYSGRI-INIZCTEOSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3ccncc3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMLJHIZLUMKKAF-HNNXBMFYSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3ncccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEGJGWAGZSLCY-HNNXBMFYSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3cnccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCSFKHCPLRDPSK-HNNXBMFYSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3cccnn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLSAFZMZPVVWGY-RSAXXLAASA-N", "SMILES:CC.C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3cc(F)ccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWYORWPHOWADL-HNNXBMFYSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEVXLUMSOBACB-HNNXBMFYSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRISYAASNOGEET-HNNXBMFYSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3cncc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQDLINNDOEIAL-HNNXBMFYSA-N", "SMILES:C[C@@H](Cn1c(=O)[nH]/c(=N\\c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADNCCSXBAVIDD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2cccc(F)c2)nc1C#CCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBGCNIKHHMSER-ZHACJKMWSA-N", "SMILES:CCOC(=O)/C=C/Oc1nc(-c2ccc(C)cc2)sc1C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGGWHBYFVBUIY-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVXFXYAWHLXJOD-HSGHIKGASA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(C)C)[C@H](C)O)[C@@H](C)CC)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)O)[C@H](C)O)[C@H](C)O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAFLPIUJHGJTGR-HKRHCRTRSA-N", "SMILES:CC[C@@H](C)[C@@H](N)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCSC)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)O)[C@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVEHHIIOBYKZTN-UQHRSYNHSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCSC)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)O)[C@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVQITKLGRMQJV-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(F)ccc2OCCNCc2cnn3ccc1nc23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQKVVJWHVBASHR-LBPRGKRZSA-N", "SMILES:C[C@H]1CNCc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCROIYWDZPAAGV-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(F)ccc2OCCN(S(C)(=O)=O)Cc2cnn3ccc1nc23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMJNHMVQWSMBRO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFOOZGBHCLKPT-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(F)ccc2OCCN(S(=O)(=O)CCl)Cc2cnn3ccc1nc23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYMGSSSSKKKCAW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBIETHVBSYHBF-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(F)ccc2OCCN(C(=O)CCl)Cc2cnn3ccc1nc23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMZTZFZCLJLQJN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYWSGWMXHLNTIA-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEWSIKDJRLANOC-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(S(C)(=O)=O)Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZOGWBUUKHNQHD-AWEZNQCLSA-N", "SMILES:CCS(=O)(=O)N1Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTTPDEBLEKDDGJ-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(S(=O)(=O)CCl)Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWMWZKGIQDUXIF-ZDUSSCGKSA-N", "SMILES:CC(=O)N1Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHCKNFYHQLDBBO-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(C(=O)CCl)Cc2cnn3ccc(nc23)N(C)Cc2cc(F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUMLDCSARLLXFG-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(F)ccc2OCCCNCc2cnn3ccc1nc23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSXKGDSYOVSKI-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(F)ccc2OCCCN(S(C)(=O)=O)Cc2cnn3ccc1nc23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZHFCICEXVGGRF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIFYTKOWRDVZNW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIDUILCTAHQZBG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCCOc2cccc(c2)CN(C)c2ccn3ncc(c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMSVOWLKJGBMSS-UHFFFAOYSA-N", "SMILES:CN1Cc2cccc(c2)OCCCN(S(=O)(=O)CCl)Cc2cnn3ccc1nc23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOSDOQZDHLKFEU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCCOc2cccc(c2)CN(C)c2ccn3ncc(c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSCPZDGQSNJUDR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCOc2cccc(c2)CN(C)c2ccn3ncc(c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGMFBCDNJUZQBZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccccc2)s1"]}
{"name": "Ricin", "xref": ["CHEMBL.TARGET:CHEMBL4756"], "id": "UniProtKB:P02879", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3988"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNAPKJOAVYKQA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(-c3nnn[nH]3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTPYAAFQKXVBPG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1ccc(-c2nnn[nH]2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1589861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSOIGQKKGJNDJD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTMNNPYLZJREA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(C(=O)O)s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRVQNZWUCJAZTJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2ccc(C(=O)O)s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIKZRFRQYNLPMK-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVIOXXJJRFAADN-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLKUYKEQDFSKV-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1-c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFMURINCRVRJKP-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1-c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTWRUYITLBPDPP-UHFFFAOYSA-N", "SMILES:COc1cccc(C)c1-c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKQNOWNQQCCJMC-UHFFFAOYSA-N", "SMILES:Cc1cccc(O)c1-c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYYRQSIHZOUTE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cccc3c2OCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GETJOXXJOCSIBY-UHFFFAOYSA-N", "SMILES:COCCOCCc1ccccc1-c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGYLELYQQHBOO-UHFFFAOYSA-N", "SMILES:CCCC(N)C(=O)NCCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDRXECKZHEXTL-UHFFFAOYSA-N", "SMILES:CCCC(N)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGEASOHPOFRDJS-UHFFFAOYSA-N", "SMILES:CCCC(NC)C(=O)NCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRZGXIXMTVQLND-UHFFFAOYSA-N", "SMILES:CCCCC(N)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFAZYHWCUJBOE-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CC(F)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJNUXTPEZPWETG-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CCC(F)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJNUXTPEZPWETG-JOCHJYFZSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CC[C@@H](F)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJNUXTPEZPWETG-QFIPXVFZSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CC[C@H](F)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWKXNNRRHJGHF-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CCC(F)CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLYMXDBGFURHBT-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CCCC(F)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAWFNRARGSLAEH-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CCC(CF)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEOETUQHOCDHU-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CC(CF)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZCQNQPPHORUGN-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CCN(CCF)CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOWAHRSZPSPJU-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N3CCN(CC(=O)N4CC(OCCF)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZCQNQPPHORUGN-MKQHWYKPSA-N", "SMILES:[2H]C([2H])(F)C([2H])([2H])N1CCN(C(=O)CN2CCN(c3ccc4nc(CC)c(N(C)c5nc(-c6ccc(F)cc6)c(C#N)s5)n4c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUMPWXYBZWXTO-YGEZULPYSA-N", "SMILES:CO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNQRHXJBOOOOV-ZHZXCYKASA-N", "SMILES:CCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJAMANFZBEUHY-XYFZXANASA-N", "SMILES:CCCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUMPWXYBZWXTO-OIRVYTLQSA-N", "SMILES:CO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNQRHXJBOOOOV-NLRWUALESA-N", "SMILES:CCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJAMANFZBEUHY-WZYWGQKZSA-N", "SMILES:CCCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUMPWXYBZWXTO-VXUPGSCNSA-N", "SMILES:CO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNQRHXJBOOOOV-DGMCESFYSA-N", "SMILES:CCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJAMANFZBEUHY-USRAEIGSSA-N", "SMILES:CCCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJFMSUYFOANCM-CBLPJQPBSA-N", "SMILES:CO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWNQSWEGZUHRX-FTQJZPFOSA-N", "SMILES:CCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJRFTIAUJCQDFV-UTGUJQJDSA-N", "SMILES:CCCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZRIVOQHNGLBGP-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHOMFFHRIOBIKE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CCn2ccc3c2nc(N)n2nc(-c4ccco4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVCPDULDISFOHI-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccc(C(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXCRAGVUXHGLPS-BQYQJAHWSA-N", "SMILES:Nc1nc(NCCc2ccc(/C=C/C(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGOBEEYFYBDGSS-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccc(OCCCC(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETCHORPIRWOCW-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccc(OCCCCC(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJIPFWBCXKIMB-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccc(OCCCCCC(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXLWDCEWHLMNV-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMJKXFMIZAAME-UHFFFAOYSA-N", "SMILES:CN(CCc1ccc(C(=O)NO)cc1)c1nc(N)n2nc(-c3ccco3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBQOQNISDAVST-UHFFFAOYSA-N", "SMILES:CCN(CCc1ccc(C(=O)NO)cc1)c1nc(N)n2nc(-c3ccco3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKFWRYNVLFWIK-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccc(C(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZNQDGLRKTUOF-BQYQJAHWSA-N", "SMILES:Nc1nc(NCc2ccc(/C=C/C(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRNQVYATKNOAPE-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccc(OCCCCC(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDCIDGKVVBLQNA-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCCc2ccc(C(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNUGWFLZYJQDS-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCOc2ccc(C(=O)NO)cc2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNYNPQSFZHGLT-UHFFFAOYSA-N", "SMILES:CN(CCOc1ccc(C(=O)NO)cc1)c1nc(N)n2nc(-c3ccco3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKFDNLDJJYCFV-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCCCCCC(=O)NO)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRGQWBYMUJHLHD-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN(CCc3ccc(C(=O)NO)cc3)CC2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAKQWFNACRCLGJ-UHFFFAOYSA-N", "SMILES:Nc1nc2c(cnn2CCc2ccc(C(=O)NO)cc2)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKYOGYUMGOCADK-UHFFFAOYSA-N", "SMILES:Nc1nc2c(cnn2CCc2ccc(OCCCCCC(=O)NO)cc2)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDORGFVYOGNYSG-UHFFFAOYSA-N", "SMILES:Nc1nc2c(cnn2CCc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZBEZDKEBAKNB-UHFFFAOYSA-N", "SMILES:Nc1nc2c(cnn2CCCCC(=O)NO)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQFPFXIHZOKAJ-UHFFFAOYSA-N", "SMILES:Nc1nc2c(cnn2CCCCCC(=O)NO)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHKAELVQDULMKP-UHFFFAOYSA-N", "SMILES:Nc1nc2c(cnn2CCCCCCC(=O)NO)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKAJPHALRXTLU-UHFFFAOYSA-N", "SMILES:Nc1nc2c(cnn2CCN2CCC(c3ccc(C(=O)NO)cc3)CC2)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUIXKIVDGVFYKM-UHFFFAOYSA-N", "SMILES:Nc1nc2c(cnn2CCN2CCc3ccc(C(=O)NO)cc3C2)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEMIAAGFHBEHB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBNAXKWJSPCGRZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNc2nc(N)n3nc(-c4ccco4)nc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSSCLJMOOUNHMW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CCCNc2nc(N)n3nc(-c4ccco4)nc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZWAYKCSYCHBB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(OCCNc2nc(N)n3nc(-c4ccco4)nc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMMXBVCRHOZFEY-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXZCTJYOFXBKU-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBAYBCPJSLOJHA-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(OCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJSWNBSTDSTLPO-UHFFFAOYSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMBFBCZLVOQAV-UHFFFAOYSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEOBCIOBRRLENQ-UHFFFAOYSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLDYTZUJJMUSG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3c4cnn(CCc5ccc(C(=O)Nc6ccccc6N)cc5)c4nc(N)n3n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCHHZDJWVSCKK-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nc3c4cnn(CCc5ccc(C(=O)Nc6ccccc6N)cc5)c4nc(N)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBKWIRHTEROPAG-UHFFFAOYSA-N", "SMILES:Nc1nc2c(cnn2CCN2Cc3ccc(C(=O)NO)cc3C2)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRPAIQUUAOETMJ-SPEMSLRHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]1(C)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUEAFJXWDVPKJH-UIAHOIPVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]1(C)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC1=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOAJQWKFKCJUKP-UHFFFAOYSA-N", "SMILES:CSc1ncc(C(=O)O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMFBNJFKLMOVAV-UHFFFAOYSA-N", "SMILES:CCCCSc1ncc(C(=O)O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWAZIWRYFOXFQ-UHFFFAOYSA-N", "SMILES:CCCCCSc1ncc(C(=O)O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYIDOVEKZFAQM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCSc1ncc(C(=O)O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKSDEBYDIOKQCL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(SCC2CCCCC2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQGMHMSZJMNOX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(SCc2ccccc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAHGGWKCMVAKPT-UHFFFAOYSA-N", "SMILES:O=C(CSc1ncc(C(=O)O)c(=O)[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJDNGNGXQUTGPB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(SCCc2ccccc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLLCVZEILXFDP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(SCCCc2ccccc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPSRPXNJOFBAEI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(SCCCCc2ccccc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVGZIFZCGRMHT-ARJAWSKDSA-N", "SMILES:CCOC(=O)/C=C\\Sc1ncc(C(=O)O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYEFAXGWUKGHFM-UPHRSURJSA-N", "SMILES:O=C(O)/C=C\\Sc1ncc(C(=O)O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHWTDCFQVKNHW-UHFFFAOYSA-N", "SMILES:O=C(O)c1c[nH]c(=S)[nH]c1=O"]}
{"name": "Lysine-specific demethylase 3B", "xref": ["CHEMBL.TARGET:CHEMBL3784906"], "id": "UniProtKB:Q7LBC6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSNQHXPYYMOLJ-MLCQCVOFSA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVIZJIXKCBABFU-YIHYGEMESA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccc(N[C@H](C(N)=O)C(C)C)cc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTZNXMJQAAJDM-MUGJNUQGSA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nccs2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEDJZMSZNJMQAV-CMOCDZPBSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@@H](NC(C)=O)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEHOIKOYROYGLS-CQJMVLFOSA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTKEYLCTKYBSK-MGAMHGSISA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccc(C(=O)N[C@H](C(N)=O)C(C)C)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFDXBWAKPXTPCV-ZJZGAYNASA-N", "SMILES:CC(=O)N[C@H]1CC(=O)N(C)CCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOJOAZJDEFCKLF-ZJZGAYNASA-N", "SMILES:CC(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHIKDBGWXAAPBG-MLCQCVOFSA-N", "SMILES:CC(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULBLQGJDWZVDS-FHWLQOOXSA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQAJCRKPCMIAGU-KNTRFNDTSA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJNTWXQNNBXRN-CIEVZJJWSA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQUYPPYJOZKUFP-MUGJNUQGSA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDQHQXALHKXAMC-TUFLPTIASA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKWNZGZXTOQLON-WPUDHWPRSA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZRMCORNKTMDA-MLCQCVOFSA-N", "SMILES:CC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIOUSXOKNOZQV-ZJZGAYNASA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDFOAXKIVEQLH-CQJMVLFOSA-N", "SMILES:CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWZSQFSITUPDE-QAQDUYKDSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)nc(-n3ccnc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKBLUKVFPQWFBO-IYARVYRRSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cnn(C)c3)nc(-c3cncs3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYUVOKDGEFQUSU-WKILWMFISA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cnn(C)c3)nc(-c3cncs3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQIDSTYZPZRJJW-WGSAOQKQSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cnn(C)c3)cc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMLTGCXDKZHFH-SAABIXHNSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHNJDAEFNMYMR-QAQDUYKDSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)cc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJKHXKESKWNQK-QAQDUYKDSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cnn(C)c3)nc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVQWOEMOKOSJNV-UHFFFAOYSA-N", "SMILES:N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCCCc4cccnc4)ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCQOAIPHDTBIU-UHFFFAOYSA-N", "SMILES:N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ncc(Cl)cc4Cl)ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBIYTWMYZIZBS-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ncc(C(F)(F)F)cc3Cl)ncc2c1)N1CCC(n2cccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGIBZWECLXNQG-UHFFFAOYSA-N", "SMILES:N#CC1(c2ccccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ncc(Cl)cc4Cl)ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXCPHXJQZUDIP-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ncc(Cl)cc3Cl)ncc2c1)N1CCC(n2cccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQCEJQCCWCOAW-UHFFFAOYSA-N", "SMILES:Cc1cnn(C2CCN(C(=O)c3cc(C(=O)N4CCCCC4)c4cc(OCc5ncc(C(F)(F)F)cc5Cl)ncc4c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQHYJKIOYASPPP-MQLCVDCJSA-N", "SMILES:CCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCYSFOGBLDWEO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(c2)c2cc(N4CCN(C)CC4)ccc2c2nc4ccccc4nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWPHCJLMYVPSX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(c2)c2cc(N4CCN(C)CC4)ccc2c2nc4cnccc4nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRRGSBUFPFQDJC-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c4ccc(N5CCN(C)CC5)cc4c4cc(N5CCN(C)CC5)ccc4c3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQFCLNFCWDJBL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(c2)c2cc(N4CCN(C)CC4)ccc2c2nc4cc(F)ccc4nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQJWTDMXJPAZTM-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3c4ccc(N5CCN(C)CC5)cc4c4cc(N5CCN(C)CC5)ccc4c3nc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBILWPYJZOYIQN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(c2)c2cc(N4CCN(C)CC4)ccc2c2nc4cc(F)c(F)cc4nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYWPTHKZVLZTD-NYYWCZLTSA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOFFYJFCUATPDF-RUDMXATFSA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZSNOYWWSMIMDW-NYYWCZLTSA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSVYBIGTSYTQD-RUDMXATFSA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKPCUYWXGDJENF-NYYWCZLTSA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHJIVXLBOQLAPG-LFYBBSHMSA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN(C)c1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFIXWGGOQQEVJG-YRNVUSSQSA-N", "SMILES:Cc1cc(N(C)Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIQAXFVGVVAML-QHYQKCGXSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZLERLQLSQLFE-IMFRXTJUSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWGJXJZLKYVTRZ-IEKKGHHJSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCMWUDPSKRFXOP-MJBCETAPSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNAWDOAFZSAELL-LRHNFOCQSA-N", "SMILES:CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMJJCZLAIIHKOH-UFEZOMAVSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVLIEJMNHLASG-IMFRXTJUSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOVBBWXBLASKMI-LRHNFOCQSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](CCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVAYMRVEHUMRDA-UFEZOMAVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXFGWSXROAGJKL-UFEZOMAVSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFADBNLTCTNJT-ZDFGDACUSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGJRPQSWJRMSM-BNMXETRVSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMURFEKZESOUDE-CKGMXPBPSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNZHBCSAZWCRQ-BBRMDMHGSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWCISOWLSGURC-FLCDMJLQSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQXXKNHJLFYBO-YOKMJXCNSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWXZZHRJRAWIN-AIVXPGLUSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMEFOBTUNWHHRZ-VUCGMCGPSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISHNGYZLHLMKFR-BNMXETRVSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFZOPBKPYLEKJ-BNMXETRVSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHHGVOPZPRVCB-MVAOLKBASA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWIMCLCDXHUAHC-OXVZNCNTSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVBZEMSNYXWLK-IFLAPUEESA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUYPJWELZKOBY-IFLAPUEESA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBCHEDNBPWLJI-BNMXETRVSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNYCLMYJRQZES-AFYMLCFISA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBPMNXWAQISMKR-BRCVGDTCSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCCGGFOWXCKGSA-AFYMLCFISA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXCVLAHVDNGKO-VNUMKYHHSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBLMPPKBCKMXQM-BIDBCAKUSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPBYHWIJHABFL-OXVZNCNTSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKYEALUPHGVAA-AFYMLCFISA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRICIAQONPNSBW-SHNWFWOJSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHZPGIUBXYVUOY-XDGMXVDYSA-N", "SMILES:C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL396460", "category": ["biolink:ChemicalEntity"], "name": "NOCICEPTIN", "xref": ["InChIKey:PULGYDLMFSFVBL-SMFNREODSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGBGJUAXSCMIQ-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBGYZZGLUXSQV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NCCNc3nc(-c4ccncc4)cc(=O)n3C)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMYMFZHCPARPI-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZIVTDOOCOQLD-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(c(NCCNc4nc(-c5ccncc5)cc(=O)n4C)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFHRDVVQUBREG-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4ccc(F)cc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFQOZSBKBOSRJ-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4cc(F)ccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIMTIFXFMKBAF-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4cc(Br)ccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOAQSSUKOCFXPF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(NCCNc3nc(-c4ccncc4)cc(=O)n3C)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCVXGVRFXDBQSP-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(NCCNc4nc(-c5ccncc5)cc(=O)n4C)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZZMELGZFKVOM-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRSPBKCSWYYVIK-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4ccc(Br)cc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRDCEVNWUJUXKC-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4cc(C(F)(F)F)ccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMFCAQKMMSGAG-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORVLSQMVBKXRKC-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4cc(F)ccc24)CCCC3)nc(-c2ccncn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXPSKLWBTUAZNW-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)nc(-c2ccncn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEZORJSFAPUJO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NCCNc3nc(-c4ccncn4)cc(=O)n3C)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSYVZTUNLPXHY-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)nc(-c2ccncn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFRQLCGNGJYBH-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYQCSGUUVBOUDZ-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4cc(F)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEOQTIYYEWKAMX-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMWTQRDDZXWAM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NCCNc3nc(-c4ccncc4F)cc(=O)n3C)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXUQOOLGPCCJX-UHFFFAOYSA-N", "SMILES:Cn1c(NCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSSTZPVYMOBKV-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOAECXIDGTDTA-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSEIKBVJPXJTSB-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRTJLCAXJOFAEM-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPTPYXDNJGZBRM-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNFQHLBMZUCUBT-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCNc2c3c(nc4cc(Br)ccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMCRRYUAIKQVRM-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUWCZSNFFHIQGI-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCNc2c3c(nc4cc(F)ccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMCCAQGFUXYGA-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCNc2c3c(nc4ccc(F)cc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYSPHSZVULOKN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(NCCCCCCNc3nc(-c4ccncc4)cc(=O)n3C)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXFGSZMUHTVKAJ-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCNc2c3c(nc4cc(Br)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFCIYQCXGDPCW-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMAWGMLSBOMQQ-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCNc2c3c(nc4cc(F)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POTZNUXICCAHJP-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCNc2c3c(nc4ccc(F)cc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBKMMYVIXFVIL-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWDPTGCROIQPR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(NCCCCCCNc3nc(-c4ccncc4F)cc(=O)n3C)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEIZLHNZAKCJCJ-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCCNc2c3c(nc4cc(Br)ccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNAALKONFPNVBR-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXBMEUQYNDGKH-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCCNc2c3c(nc4cc(F)ccc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXYHJFYGHMINRN-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCCNc2c3c(nc4ccc(F)cc24)CCCC3)nc(-c2ccncc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLMVVVVZSMGPGQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(NCCCCCCCNc3nc(-c4ccncc4)cc(=O)n3C)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNOBJWLLWDWWHP-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCCNc2c3c(nc4cc(Br)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNZCYJMOMQYIU-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKKYXIMTXAYCMK-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCCNc2c3c(nc4cc(F)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMDQZKLVHHLHE-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCCNc2c3c(nc4ccc(F)cc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWHVXPDYKGMNJ-UHFFFAOYSA-N", "SMILES:Cn1c(NCCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZRWFFWKSZVFN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(NCCCCCCCNc3nc(-c4ccncc4F)cc(=O)n3C)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQZYDWUDLHXPZ-RCDMODNJSA-N", "SMILES:C[C@@H]1CC2c3ccccc3NC2[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSHNKOVUNZCMJG-PCQHVHAWSA-N", "SMILES:C[C@@H]1CC2c3ccccc3N(C)C2[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COIALYHLVLQATA-FKCCRPNQSA-N", "SMILES:CC(C)(F)CN1[C@H](CF)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(/C=C/C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTNFRIVYDMXMMB-PRSVDJLGSA-N", "SMILES:CC(C)(F)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2[nH]c3ccccc3c2CC12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBOPDHPQHHVFX-ZXVUINKLSA-N", "SMILES:CC(C)(F)CN1C2CCCC2c2c([nH]c3ccccc23)[C@H]1c1c(F)cc(/C=C/C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGULWAGUWHCAPJ-OZFANJHYSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC1(C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPBDOBEPNZWIQ-OCFXUSKDSA-N", "SMILES:CCCCN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2[nH]c3ccccc3c2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJFJERHCHHZBEE-WKRHYTHFSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(/C=C/C(=O)O)cn2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBCOKNVYAGTFE-YBWUJAAGSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ncc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPDIUIZGINQFQ-BBNFHIFMSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)c(/C=C/C(=O)O)c(F)c2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087025", "category": ["biolink:ChemicalEntity"], "name": "TARAGARESTRANT", "xref": ["InChIKey:PSJRZBBUWGIUPM-BBNFHIFMSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(/C=C/C(=O)O)cc2Cl)N1CC(C)(C)F"], "synonym": ["Taragarestrant", "Taragarestrant", "Taragarestrant", "D 0502", "Taragarestrant", "D-0502", "D0502"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYFYLHAEUGEQBR-OCFXUSKDSA-N", "SMILES:COc1cc(/C=C/C(=O)O)cc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CATIRKGFKQXSNI-XQAICKPSSA-N", "SMILES:COc1cc(/C=C/C(=O)O)cc(OC)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAIKXFHGTOZKQZ-QKFKETGDSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3(C(=O)O)CC3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPWLJYBWKTVPC-JBEBIEQOSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CC(C(=O)O)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJPAQRHSSKRZCJ-FQHICDKESA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CCC(C(=O)O)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGJEGJYSAEHKZ-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CCC(C(=O)O)CC3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEUZRHUOQOIYHE-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CC4(CC(C(=O)O)C4)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQLNPBZOUBHAHI-SGANQWHYSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CC(CF)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSUWIBXDDWIQCO-PUAOIOHZSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CC4(COC4)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUFSGWLOOWSSJ-JBEBIEQOSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CC(C(N)=O)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAAZVBYQFUWEGC-AKJBCIBTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CC(OCCF)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPBGOOHCEVJLME-SGANQWHYSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CC(C#N)C3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYGCQMYXATIPJ-PUAOIOHZSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CCOCC3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKXWJFWWRKAVIK-PUAOIOHZSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CCC(F)(F)CC3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUVUMZMCFCXII-BBNFHIFMSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)NO)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJHRZFAUARWZHU-BBNFHIFMSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(N)=O)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYAKCQZMYWSSE-CHAGWJKLSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-c3ccc(C(=O)O)cc3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBXHMYOGFLJNIV-JCQPUDPBSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-c3cnc(C(=O)O)s3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQRNRUURFSUDJ-JCQPUDPBSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(Nc3cnc(C(=O)O)s3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDITTKNXMSLDP-JBEBIEQOSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-n3ccc(C(=O)O)n3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGRMTMPDGKXECQ-PVPMGCCUSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-c3ccc(C(=O)O)cn3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZELFNWCCWYGRX-CHAGWJKLSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-c3cccc(C(=O)O)c3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBEIBRHAHNLGRK-WVDZOPJMSA-N", "SMILES:COc1cc(C(=O)O)ccc1-c1cc(F)c([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(C)(C)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGVXMVXAWFXBSO-WVDZOPJMSA-N", "SMILES:COc1cc(-c2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRYJRRCBMYYCW-WQIZZMQYSA-N", "SMILES:COc1cc(C(=O)O)cc(Cl)c1-c1cc(F)c([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(C)(C)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBAAFZCYQAWBJE-CHAGWJKLSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-c3ccc(C(N)=O)cc3)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLWZCGYFBNOBMP-YVORESIASA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-c3ccc(C(=O)O)cc3Cl)cc2F)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHJADXEINBCSF-WVDZOPJMSA-N", "SMILES:COc1cc(-c2cc(Cl)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(Cl)c2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAHXZSVUWCPPO-CHAGWJKLSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cc(-c3ccc(C(=O)O)cc3)cc2Cl)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOKPJGWOJYKXGT-WVDZOPJMSA-N", "SMILES:COc1cc(-c2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(Cl)c2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNWNOMOVAVMFF-CHAGWJKLSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-c3ccc(C(=O)O)cc3)cc2Cl)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPVMNYJNYPMGHJ-CHAGWJKLSA-N", "SMILES:COc1cc(-c2ccc(C(=O)O)cn2)cc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWRGBXGFZNMKY-JYRCXFKTSA-N", "SMILES:COc1cc(-c2ccc(C(=O)O)cc2)cc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYUUTGWESEMBO-YNCMPUGASA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUEOKNXZYXEMSH-UHFFFAOYSA-N", "SMILES:NCCC(O)c1cc(OCC2CCCCC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOWDQMWLLKIPK-UHFFFAOYSA-N", "SMILES:CCCC(CCC)COc1cc(F)cc(C(O)CCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBWZPTXDZDRNQ-UHFFFAOYSA-N", "SMILES:CCCC(CCC)COc1ccc(F)c(C(O)CCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRYMRYHINSDHF-UHFFFAOYSA-N", "SMILES:CC1=C(COc2cc(F)cc(C(O)CCN)c2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIGGYYSZBWCGC-KBMKNGFXSA-N", "SMILES:[2H]C([2H])(N)CC(O)c1cccc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKAUHJYIZQEYAX-UHFFFAOYSA-N", "SMILES:NCCC(O)c1cc(F)cc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYDVSJHNBXQOGZ-UHFFFAOYSA-N", "SMILES:NCCC(O)c1ccc(F)c(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBIYQEMIOCQRMO-UHFFFAOYSA-N", "SMILES:CCCC(CCC)COc1cccc(C(O)CCN)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMDAHPNHHRWGHF-UHFFFAOYSA-N", "SMILES:CC1=C(COc2cc(C(O)CCN)ccc2F)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYRPJWXBDHOLHF-UHFFFAOYSA-N", "SMILES:NCCC(O)c1cccc(OCC2CCCCC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDYVEMOTVIKKNU-INIZCTEOSA-N", "SMILES:CCCC(CCC)COc1cc([C@@H](O)CCN)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDYVEMOTVIKKNU-MRXNPFEDSA-N", "SMILES:CCCC(CCC)COc1cc([C@H](O)CCN)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZSZNTBTZGRCNI-UHFFFAOYSA-N", "SMILES:CC1=C(COc2ccc(F)c(C(O)CCN)c2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPLWJHDEDBWQOQ-UHFFFAOYSA-N", "SMILES:CC1=C(COc2cccc(C(O)CCN)c2F)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUQDOSXLJQVRA-UHFFFAOYSA-N", "SMILES:NCCC(O)c1cccc(OCC2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUQDOSXLJQVRA-KNXIQCGSSA-N", "SMILES:[2H]C([2H])(N)CC(O)c1cccc(OCC2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDDQJVHZBTEMT-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKVWEYZUVUWJT-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1ccc(OCCCN3CCCC3)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUVGZUKNGPFEZ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCC3)ccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSZPCOOHYVVRY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCCC3)ccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWQMDWRCCYZOE-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWTVGVLYEISYND-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1ccc(OCCCN3CCCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCGSLWGRJGHNY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCC3)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKNXJNGRXMDCY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1ccc(OCCCN3CCCCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGXVDUYFWJNRM-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCCC3)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBLFYMQYQYGVGK-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccc(OCCCN3CCCCC3)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHOEXFBJYYHOD-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccc(OCCCN3CCCCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDASHXLAMCATI-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMHMTMQAABMRBO-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1ccc(OCCCN3CCCCC3)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2297871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEURKKDLGWDNKE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCCN2CCCCC2)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUHGBSZZOWVTDI-AREMUKBSSA-N", "SMILES:O=C(O)[C@@H](CO)NCc1cc(Cl)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCc1ccc2nonc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269236", "category": ["biolink:ChemicalEntity"], "name": "TRYPTOLINE", "xref": ["InChIKey:CFTOTSJVQRFXOF-UHFFFAOYSA-N", "SMILES:c1ccc2c3c([nH]c2c1)CNCC3"], "chembl_natural_product": true}
{"name": "Nuclear receptor subfamily 2 group E member 1", "xref": ["CHEMBL.TARGET:CHEMBL1961788"], "id": "UniProtKB:Q9Y466", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOCMKNEOSLIOC-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(=O)NC)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1727312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVVFXAAMMFTLGN-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL66761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUCCMEHWBGPJKS-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81324", "category": ["biolink:ChemicalEntity"], "name": "NORCHLORCYCLIZINE", "xref": ["InChIKey:UZKBSZSTDQSMDR-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFAQQLHYUBFKV-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGVNLFCRZULMKK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWMHKUVMHMOAIF-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SC)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTGXYAJVXKEKL-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOWAEZWWQFSEJD-UHFFFAOYSA-N", "SMILES:Nc1cnc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3304960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRCIKMHUAOIAT-UHFFFAOYSA-N", "SMILES:NC1CCc2[nH]c3ccccc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKMZFAUBKPKYBQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Cl)c(N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVZHTZABANZKSK-UHFFFAOYSA-N", "SMILES:CC(C)OCC(O)COc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYLXXRHQMMERT-UHFFFAOYSA-N", "SMILES:COC(CNC(C)C)COc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL139737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWFGPUOJJHYUTD-UHFFFAOYSA-N", "SMILES:CC(C)NCCCOc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGFKEFULNCVMP-UHFFFAOYSA-N", "SMILES:OC(COc1cccc2ccccc12)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPGVSZPOCYXAL-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISJWEXLNFHRNW-VOTSOKGWSA-N", "SMILES:COc1cc(OC)cc(-c2nn(CCCCCN3CCN(C(=O)/C=C/C(F)(F)F)CC3)c3ncnc(N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMZYDQKZHDRDQF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(Cn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZUBLGDLIQYIIE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MALHOOCRRAELHO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBTXEAWETVRHIF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAWLKEZXONATBG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CCn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRXQGTQIQVBOLN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(Cn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKSRLPIFMWELTO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHEGTWYVXJJAQX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRQXFOSXTOETEQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXCNXNXARCJIU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBVJFHZCWJZPO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCCn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCIDOAKXWFCQL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCCCn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVMXRPQTEFBJNT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBMIFDHTVZWEK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3coc4ccccc34)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WADZNTABOSPWAL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3ccc(NC(C)=O)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIGFQZSHUWANY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3ccc(OC(F)(F)F)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDTIUWSUHLYLSE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3cc(OC)ccc3OC)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUXEWXWBIXPSF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3ccc(OC)c(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIXPDBVWKBKXJG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3cc(OC)c(OC)c(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOFWACRHDYVNB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3ccc(OCC)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEAMZXDHWORNKL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3ccc(OCc4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVLXXFNNRJOIL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3cc(OC)ccc3Cl)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOHQQKXWCOUPK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3ccc(F)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZICKVWJPWJUWIN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3ccc(O)c(F)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSJRJLXQWSBSMQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3cc(F)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXUPDDGFNDVUCP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3cc(F)cc(F)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVVGKPRDJCRGQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUJGFBGOVGZGU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3cc(F)cc(C(F)(F)F)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPSDPDLIGHEHRB-SNAWJCMRSA-N", "SMILES:Nc1ncnc2c1c(-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)nn2CCCCCN1CCN(C(=O)/C=C/C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAJMNJHLDPNTLS-SNAWJCMRSA-N", "SMILES:Nc1ncnc2c1c(-c1cc(F)cc(C(F)(F)F)c1)nn2CCCCCN1CCN(C(=O)/C=C/C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFGXVTXVCTUMNA-CMDGGOBGSA-N", "SMILES:COc1cc(OC)cc(-c2nn(CCCCCN3CCN(C(=O)/C=C/CN(C)C)CC3)c3ncnc(N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKIQJCCUKVKITR-XBXARRHUSA-N", "SMILES:C/C=C/C(=O)N1CCN(CCCCCn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDQPOEXAULBBSR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3ccc(OC)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOJECJRRVAFOT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCCCn2nc(-c3ccc(OC(C)C)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAYNPLZXLYWIHO-WOJBJXKFSA-N", "SMILES:CCOC(=O)Cn1nncc1CO[C@@H](C(=O)OCC)[C@@H](OCc1cnnn1CC(=O)OCC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIJIUALFVOVTB-WNRNVDISSA-N", "SMILES:CCOC(=O)[C@H](OCc1cnnn1[C@@H](CO)C(=O)OC)[C@@H](OCc1cnnn1[C@@H](CO)C(=O)OC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMAVMVZUXFPQI-VZNYXHRGSA-N", "SMILES:CCOC(=O)[C@H](OCc1cnnn1[C@@H](Cc1ccccc1)C(=O)OC)[C@@H](OCc1cnnn1[C@@H](Cc1ccccc1)C(=O)OC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIOZWMKSWKRGLS-CHWSQXEVSA-N", "SMILES:CCOC(=O)Cn1nncc1CO[C@@H](C(=O)OCC)[C@@H](O)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENYLEHQSZUOSY-QJPTWQEYSA-N", "SMILES:CCOC(=O)[C@H](O)[C@@H](OCc1cnnn1[C@@H](CO)C(=O)OC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFENGLRKGXXHLI-RCCFBDPRSA-N", "SMILES:CCOC(=O)[C@H](O)[C@@H](OCc1cnnn1[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFHNRGHZVCCCSA-RCCFBDPRSA-N", "SMILES:CCOC(=O)[C@H](O)[C@@H](OCc1cnnn1[C@@H](Cc1ccccc1)C(=O)OC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCAHQNCWAVCGEE-VXGBXAGGSA-N", "SMILES:O=C(O)Cn1nncc1CO[C@@H](C(=O)O)[C@@H](OCc1cnnn1CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGOUMRCAYPEPNB-CJRSTVEYSA-N", "SMILES:O=C(O)[C@H](OCc1cnnn1[C@@H](Cc1ccccc1)C(=O)O)[C@@H](OCc1cnnn1[C@@H](Cc1ccccc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEVPYGKWWPPTJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1nncc1COc1ccc2ccccc2c1-c1c(OCc2cnnn2CC(=O)OCC)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCTWSQZCNOOPY-NSOVKSMOSA-N", "SMILES:COC(=O)[C@H](CO)n1nncc1COc1ccc2ccccc2c1-c1c(OCc2cnnn2[C@@H](CO)C(=O)OC)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIGZAUPIQLDMX-ZAQUEYBZSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)n1nncc1COc1ccc2ccccc2c1-c1c(OCc2cnnn2[C@@H](Cc2ccccc2)C(=O)OC)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVQYHUGOBPBKD-CXNSMIOJSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1nncc1COc1ccc2ccccc2c1-c1c(OCc2cnnn2[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQPBHDQTRKBIN-SANMLTNESA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@H](C(=O)NCC(=O)O)c3c[nH]c4ccccc34)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDQOAFFZZJNVEZ-IBGZPJMESA-N", "SMILES:O=C1NC(=O)C(=Cc2cn(C[C@H](O)COc3cc(O)c4c(=O)cc(-c5ccccc5)oc4c3)c3ccccc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDPUYIVKPNWKQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)CCCOc3ccc4ccc(=O)oc4c3)nn2-c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLRFJGTNJILSU-VZNYXHRGSA-N", "SMILES:CCOC(=O)[C@H](OCc1cnnn1[C@@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](OCc1cnnn1[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLRFJGTNJILSU-GOGZTAQTSA-N", "SMILES:CCOC(=O)[C@H](OCc1cnnn1[C@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](OCc1cnnn1[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTICRAKLVRMWJS-PSWJWLENSA-N", "SMILES:CCOC(=O)[C@H](OCc1cnnn1[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)[C@@H](OCc1cnnn1[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVUQZHPUQOYQU-ZAQUEYBZSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)n1nncc1COc1ccc2ccccc2c1-c1c(OCc2cnnn2[C@@H](Cc2ccc(O)cc2)C(=O)OC)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSWBFBFWVRRKW-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2cc(C(=O)O)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMDIDNFNJFRIIL-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2cccc(C(=O)O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZMNDEOJPFAYHS-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2cc(C(=O)O)ccc2C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSSNALBCZQRFIJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)O)cc1N1CCN(c2c(C)n[nH]c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKRSLAQAGTYJSR-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2cc(C(=O)O)ccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSSORIGMNUFCNX-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2cc(C(=O)O)ccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXXFEZAKUZQHD-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2cccc(C(=O)O)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSWJEYHIQYGTJ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2ccc(F)c(C(=O)O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYRZAAQHTRAVGT-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2cc(F)cc(C(=O)O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOQZZSLRNJWFA-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(N2CCN(c3c(C)n[nH]c3C)CC2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLHWZUTEVXQPB-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2cc(C(=O)O)ccc2I)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJKFOMCLVYRRK-OKILXGFUSA-N", "SMILES:Cc1n[nH]c(C)c1N1C[C@H]2CN(c3cc(C(=O)O)ccc3F)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJXXEOFPBZZCI-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCC2(CCN(c3cc(C(=O)O)ccc3F)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOFKMCAGNKGWSF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1N1CCN(c2cc(C(=O)O)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCWUKMLAFDPSL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)c(N2CCN(c3ccccc3C(F)(F)F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGELZJRBPKTTIW-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2cc(C(N)=O)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMUSRPJMTIMANS-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1N1CCN(c2cc(-c3nn[nH]n3)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XODSGAMMDBEEFN-ZSOGYDGISA-N", "SMILES:Cc1cc(C(=O)O)nc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQSDFMWPWOTOM-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CCNC(=O)Oc3ccc4c(c3)CN3CCc5ccccc5C3N4C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCNXTQCSKATNGX-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CCCCNC(=O)Oc3ccc4c(c3)CN3CCc5ccccc5C3N4C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVMQNBRFWZONNJ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CCCCCCNC(=O)Oc3ccc4c(c3)CN3CCc5ccccc5C3N4C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFATRLUVYBNSY-GXDHUFHOSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCCCNC(=O)Oc2ccc3c(c2)CN2CCc4ccccc4C2N3C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVUYXIECOMIRX-FOWTUZBSSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCCCCCNC(=O)Oc2ccc3c(c2)CN2CCc4ccccc4C2N3C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVYYKZMVNIBRPZ-DTQAZKPQSA-N", "SMILES:CN1c2ccc(OC(=O)NCCCCNC(=O)/C=C/c3ccccc3)cc2CN2CCc3ccccc3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLUNMAOWHJLLLM-OBGWFSINSA-N", "SMILES:CN1c2ccc(OC(=O)NCCCCCCNC(=O)/C=C/c3ccccc3)cc2CN2CCc3ccccc3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUJFNAGPSJFIW-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCNC(=O)Oc1ccc3c(c1)CN1CCc4ccccc4C1N3C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVNQICJOWJYHJ-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCNC(=O)Oc1ccc3c(c1)CN1CCc4ccccc4C1N3C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRSCUZWEMZYPRV-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)CN1CCc3ccccc3C1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTRWFJZCXWFRIK-UHFFFAOYSA-N", "SMILES:NNC(=O)COc1ccc2c3c(c(=O)oc2c1Br)CCCC3"]}
{"name": "Bis(5'-adenosyl)-triphosphatase", "xref": ["CHEMBL.TARGET:CHEMBL1795151"], "id": "UniProtKB:P49789", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMTOQWXZNVZTBJ-UHFFFAOYSA-N", "SMILES:O=C(COc1cc2oc(=O)c3c(c2cc1Br)CCCC3)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFBJYGHYQKFTFH-UHFFFAOYSA-N", "SMILES:O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEURLHPJFSVONQ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(C)c(OCC(=O)NO)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWUGQAFZDVNJGR-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(OCC(=O)NO)ccc2c3c(c(=O)oc12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYEDTFUEIMFSSB-UHFFFAOYSA-N", "SMILES:CCc1c(OCC(=O)NO)ccc2c3c(c(=O)oc12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVWDVDKJUMNNIT-UHFFFAOYSA-N", "SMILES:Cc1c(OCC(=O)NO)ccc2c3c(c(=O)oc12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSCDENFKALNMR-UHFFFAOYSA-N", "SMILES:Cc1c(OCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5069986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMHLIBDJFGOIQ-UHFFFAOYSA-N", "SMILES:COc1c(OCC(=O)NO)ccc2c3c(c(=O)oc12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1444825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMBFCRZXZVURD-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2nn[nH]n2)ccc2c3c(c(=O)oc12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEJSQNJFCBFCR-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2c3c(c(=O)oc2c1Br)CCCC3)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWLRJNFBVLRAJR-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQWHDJSPWCHABU-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)C2c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSQGPRIFDRLHF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2[nH]c(-c3ccnc(-c4cccnc4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1520857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZYPMPKDHQMQGP-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2nn[nH]n2)ccc2c3c(c(=O)oc12)CCC(C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTWBCKFWIKGZPM-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC(=O)NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRTWICWVHKUZKO-UKTHLTGXSA-N", "SMILES:CN1C(=O)N/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWEDFIQDCKKNNE-BUVRLJJBSA-N", "SMILES:O=C(O)c1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGASJXUHAREBZ-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nn(-c2ccccc2)c(=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMVIJHNZTYNQAM-WDMOLILDSA-N", "SMILES:COCC(=O)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)OC)N2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5093727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCRCBVCDJHIEPE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)sc(N)c1C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONJHRXLOQLINO-LOIHPRHOSA-N", "SMILES:COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OCOP(=O)(O)OC[C@H]4O[C@@H](n5ccc(N)nc5=O)[C@H](O)[C@@H]4O)ccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUGTZYNIVTHHB-FANUBLADSA-N", "SMILES:COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OCOP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)ccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVOWLZBFNHYRD-LOIHPRHOSA-N", "SMILES:COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OCOP(=O)(O)OC[C@H]4O[C@@H](n5ccc(=O)[nH]c5=O)[C@H](O)[C@@H]4O)ccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFBMBGHWTVGCP-GUYMFIDCSA-N", "SMILES:COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OCOP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(=O)[nH]c(N)nc65)[C@H](O)[C@@H]4O)ccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL339385", "category": ["biolink:ChemicalEntity"], "name": "DIADENOSINE TETRAPHOSPHATE", "xref": ["InChIKey:YOAHKNVSNCMZGQ-XPWFQUROSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL415330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLKYUMEUZAMMP-IWIISZHXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZQZFVWNUMXKJ-CXXIJZQZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGWQOYJXFXAQKJ-LRRCKAFZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGXLGYYBCCTEZ-JVIFUBOQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCABORQNXZEIL-CXLDYBBBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROIBLPDAKVZLFD-NTOYLDHZSA-N", "SMILES:CCCC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZQZFVWNUMXKJ-KEMFWFQASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIBPAKJZPPWTH-GOYAWHKQSA-N", "SMILES:CCCC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHXQBQIUCAPNS-YSTWUKKISA-N", "SMILES:CCCC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRACDHIZEVCSCO-MRTNJWGBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEJHFJXWIBZZTQ-AHUOXLFJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQFGVWFMFDLFP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCDUTBVPVFGFCH-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOIUDFIMXTXMSS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(Cl)c1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDXEDXMFBWELR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccc(Br)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMRDPDVZUAROW-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXARMNSZZJNNBN-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCEKAIMUDGAKIQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)Nc4cc(OC)ccc4OC)sc(=S)n3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMVUSISOBHBELQ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2cc(Br)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHWGYBEPWCJNA-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBAKYGFKUJQIAC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2cc(F)c(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZVMOZJGMYSNMJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc(=S)n2c1[nH]c(=O)c1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMAZSUACZKQDNE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)Nc4ccc([N+](=O)[O-])cc4)sc(=S)n3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLUWROANBTUDMZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(Cl)c1)c1sc(=S)n2c1[nH]c(=O)c1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXCOIOLTRWQOY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(Cl)c1)c1sc(=S)n2c1[nH]c(=O)c1cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJAQIEGIKRWSDJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)Nc4cc(Cl)cc(Cl)c4)sc(=S)n3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPECURPTFWVEKH-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)[nH]c3c(C(=O)Nc4cc(Cl)cc(Cl)c4)sc(=S)n3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPNYSJJLTOUSME-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1[N+](=O)[O-])c1sc(=S)n2c1[nH]c(=O)c1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWBNAPKYVNQAU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)Nc4cccc(Cl)c4[N+](=O)[O-])sc(=S)n3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYURPPEAGBFCR-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTBQRPOPBSPEER-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLFALCHIKJROZ-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIQRGBKLQCPSNE-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc(F)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEQKRNVNABMGJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)Nc4ccc(Cl)cc4)sc(=S)n3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKWQXGLPBZWAK-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)Nc4ccc(Cl)c(Cl)c4)sc(=S)n3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFGYEWFXMYSDZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANVRFJPLVPGVQC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n(-c3cccc(C#N)c3)c2NC(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRLBRBCTZRBLDS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n(-c3cccc(C(F)(F)F)c3)c2NC(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVXUJWQZXMNES-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n(-c3ccc(C(F)(F)F)cc3)c2NC(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGUIAOGKEZGGFQ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n(-c3ccc(Cl)cc3)c2NC(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDYUJBRFPCBDPK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n(-c3cccc(F)c3)c2NC(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSRMHCWGAXGBZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)c2sc(=S)n(-c3cccc(Br)c3)c2NC(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLWAHKMJSQPJM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1sc(=S)n2c1[nH]c(=O)c1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCVNWUNVIEGBH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYHPEFYDPMHEOZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTBMZWKLTPHVDJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJPIWSGDIKBHDX-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)Nc4ccc(F)cc4F)sc(=S)n3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDKPMOQNYUESHK-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPCDOPDSSXIHMO-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2sc(=S)n3c2[nH]c(=O)c2cc(Br)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHRCAQGGASTDIX-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2sc(=S)n3c2[nH]c(=O)c2cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNUMYIRSYAWPOC-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)C2c2ccc(C(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWEBSXGDWPLJCL-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)Nc4ccccc4C)sc(=S)n3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPHWELDRLLZNV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2cc(Br)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLEJDNASCFKYKL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1sc(=S)n2c1[nH]c(=O)c1cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMDTSPLHSFVQV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRJBMRKTPWUQD-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc(C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVPUEALWURAOW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1sc(=S)n2c1[nH]c(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZBLFOZDYSAJHN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(=O)[nH]c1c(C(=O)Nc3ccccc3C)sc(=S)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZLOGIPXLZEDF-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1Cl)c1sc(=S)n2c1[nH]c(=O)c1cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZBMXEBTMFJAQS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(=O)[nH]c1c(C(=O)Nc3cc(Cl)ccc3C)sc(=S)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNUNABDBAIFAM-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc3c(cc12)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDXJDPCRBSWDAN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccs1)c1sc(=S)n2c1[nH]c(=O)c1cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJVKVOVXYCSUCN-UHFFFAOYSA-N", "SMILES:CCOc1ccc(OCC)c(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNXTDJXZNGFNJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)c1sc(=S)n2c1[nH]c(=O)c1cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPTYECSZAQNZGB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1Cl)c1sc(=S)n2c1[nH]c(=O)c1cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFUWVKZKRXBGQI-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFOTGGULADMHY-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLFYVGXIGQMLNG-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)Nc4ccc(-c5ccccc5)cc4)sc(=S)n3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTYGSHFCGAUTH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2cc(Br)ccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTQRDIILYELIY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2cc(C)ccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395110", "category": ["biolink:ChemicalEntity"], "name": "MEPAZINE", "xref": ["InChIKey:CBHCDHNUZWWAPP-UHFFFAOYSA-N", "SMILES:CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1"], "synonym": ["Pecazine", "Pecazina", "Lacumin", "Mepasin", "Mepazin", "Mepazine base", "Meprazine", "Mesapin", "Nothiazine", "Pacatal", "Pacatal base", "Pacatol", "Pakatal", "Paxital", "Pecatal", "III-2318", "P-391"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL5078790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTGJRAKRGEDPI-NSHDSACASA-N", "SMILES:CO[C@@H](C)c1c(NC(=O)Nc2cnc(C(=O)N3CCCC3)c(Cl)c2)cnc2cc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3183233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJGQZBSEMDPQP-UHFFFAOYSA-N", "SMILES:COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOWSVGGTFLTLR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(F)c(Nc3ccnc(Nc4ccc(C#N)cc4)n3)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNIWCXPPFUJOEU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(F)c(Nc3ccnc(Nc4ccc(C#N)cc4)n3)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCGBYQWBUWEDEB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4csc5ccccc45)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFTYMKJRSRHGAD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4coc5ccccc45)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNKONPKSPQQQJH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccco4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOEUSGKRJVAHGA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccoc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUOLVYDXRWSRCD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4cccs4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZXNXIQSIGWGU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccsc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQMQXFAKYXVDF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4cn[nH]c4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFBOSWAHUBCMA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4cncnc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIIVXOPXIKFBCK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccncc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIIYJSXJFWMMLA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4cccnc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIASPYZFFBIKRQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccc(N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTRPMOLNXYLAN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccnc(Cl)c4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATWEVOFKPXNEZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccnc(F)c4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNCJIAXTQHJZIV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccncc4F)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDGLBWNJRTARG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4cc(Cl)nc(Cl)c4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTALAWXWMWZXTA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(F)c(Nc3ccnc(Nc4ccc(C#N)cc4)n3)c(F)c2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCIYOOLCPDTVRE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4cc(F)nc(F)c4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHHKHHWCPUMAHV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccnc(Cl)c4Cl)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTIDNPBUCIWDHZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccnc(F)c4F)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQHWJQFSRPYLRN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccnc(C#N)c4F)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUXXDLOSASEKH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccnc(-c5ccnc(Cl)c5)c4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXAMLCSQCCYNP-UHFFFAOYSA-N", "SMILES:Cl.N#Cc1ccc(Nc2nccc(Nc3c(F)cc(-c4ccncc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCISJKNVUOHNQX-OCEACIFDSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKQARXXOLKBGC-OCOZRVBESA-N", "SMILES:CC(C)(Oc1ccc(COc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSPUYCQJAYVEX-ZQHSETAFSA-N", "SMILES:CC(C)c1ccc(/N=N/c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMTMRPQOYKGHHI-CYYJNZCTSA-N", "SMILES:Cc1cc(/N=N/c2ccccc2)ccc1OCCc1ccc(OC(C)(C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMTMRPQOYKGHHI-RQZHXJHFSA-N", "SMILES:Cc1cc(/N=N\\c2ccccc2)ccc1OCCc1ccc(OC(C)(C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMXARHZVDPBGK-CYYJNZCTSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2Cl)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMXARHZVDPBGK-RQZHXJHFSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(/N=N\\c3ccccc3)cc2Cl)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGIYWDYQSKIFAW-QVIHXGFCSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPQJZCZDBGRGN-BYYHNAKLSA-N", "SMILES:Cc1ccc(/N=N/c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZPYODVSDTRAU-NVQSTNCTSA-N", "SMILES:Cc1ccc(/N=N/c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZPYODVSDTRAU-KTMFPKCZSA-N", "SMILES:Cc1ccc(/N=N\\c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAJFKSYANAAIQN-BYYHNAKLSA-N", "SMILES:Cc1ccc(/N=N/c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAJFKSYANAAIQN-DQSJHHFOSA-N", "SMILES:Cc1ccc(/N=N\\c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCISJKNVUOHNQX-QPLCGJKRSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(/N=N\\c3ccccc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKQARXXOLKBGC-IZHYLOQSSA-N", "SMILES:CC(C)(Oc1ccc(COc2ccc(/N=N\\c3ccccc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMNPFYSBCBJSHJ-CYYJNZCTSA-N", "SMILES:Cc1ccc(/N=N/c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMNPFYSBCBJSHJ-RQZHXJHFSA-N", "SMILES:Cc1ccc(/N=N\\c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPKNKQENKAOOH-CYYJNZCTSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPKNKQENKAOOH-RQZHXJHFSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(/N=N\\c3ccc(Cl)cc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSPUYCQJAYVEX-ZIADKAODSA-N", "SMILES:CC(C)c1ccc(/N=N\\c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGIYWDYQSKIFAW-FLWNBWAVSA-N", "SMILES:CC(C)(Oc1ccc(CCOc2ccc(/N=N\\c3ccccc3)cc2C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPQJZCZDBGRGN-DQSJHHFOSA-N", "SMILES:Cc1ccc(/N=N\\c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJCRLPBABAXZQO-UHFFFAOYSA-N", "SMILES:CN1CCN(C2(CNC(=O)C(C)(c3ccccc3)c3ccccc3)CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTZAMGGKLWWOOS-UHFFFAOYSA-N", "SMILES:CN1CCN(C2(CNC(=O)c3ccccc3Oc3ccccc3)CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTREUMGTASECC-UHFFFAOYSA-N", "SMILES:CC(C)(CNc1ccccc1)N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFAJJUAIPMLRAE-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNCGTLKVTYQULV-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCN(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORIOLLAPPJVNF-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)(C)N1CCN(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZZUEYRJJXRWHE-UHFFFAOYSA-N", "SMILES:COCC(=O)N(CC(C)(C)N1CCN(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANSRRVRHSESOE-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFUJFQBOHAMPJ-UHFFFAOYSA-N", "SMILES:COCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZXQHIYNACJCJT-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccccc1)CC1(N2CCN(Cc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBFOZFQIQJACN-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPSXNUMUGKDSS-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEBBOVFNGZGZLV-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXIUOVYAORJYHE-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWPKILRWGOCDB-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ncccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYBPCYMEPUOQE-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ncccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRXWWPAOBAXRM-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHQWHKVWRYMBH-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCN(C)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCYGWCRNGVMSHQ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)COC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNDZHBEHXBGDO-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCOCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GREAMKHYUKBUBZ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORGVVJIDSUOPP-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCSCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGWSBURJGGYAE-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCOC(C)(C)C1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICOVWBMVDQFOOY-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CC3CN(Cc4ccccc4)CC3C2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDLVCLPWHWXGI-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(C2CCN(Cc3ccccc3)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUOLNTZRBIDSI-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(CCc3ccccc3)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADQJTHBSZROYBX-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(C(C)c3ccccc3)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFNHEKNLJEKFH-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(C(CO)c3ccccc3)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXZCPJNRRAYJE-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(CC(O)c3ccccc3)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJSAJQGUZTVMZ-UHFFFAOYSA-N", "SMILES:CCCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCQSVTXVRDJPO-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMOGZOJPMLRYGM-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(CC(C)C)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZYAHUNVJPRKP-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKSCZZHCDJCLO-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(CCOC)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWWWTAMWZKMEOL-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(CCOC(C)C)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZWEVRFJNKFMF-UHFFFAOYSA-N", "SMILES:CCOCCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDZZHGWPDPCPMZ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(CCOCC(C)C)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNSENQYHXKTOP-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(CCOc3ccccc3)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHLJLZHXZVWRS-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(CCOCC(F)(F)F)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUCUASFMBXPART-UHFFFAOYSA-N", "SMILES:CCCOCCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHYPQQCZIJJEN-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(CCCOC)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFPGACSSOSLPD-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(CC(C)(C)O)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOUTKHANFQIQK-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCN(C)CC2)CCCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQLWHDZQVHWZQP-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC1(N2CCNCC2)CCOCC1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1205233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYIJOFSDJMOTGX-SPRVXXEPSA-N", "SMILES:NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(=O)O)[C@@H](c2ccc(C(C(=O)O)C(=O)O)cc2)/C=C/C[C@@H](Cc2cccc3ccccc23)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHYFMOCFCFUTNH-GZNVFMSSSA-N", "SMILES:NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(CP(=O)(O)O)cc2)/C=C/C[C@@H](Cc2cccc3ccccc23)CNC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL306657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWOITRAWXNSFNB-FETINEJHSA-N", "SMILES:NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(=O)O)[C@@H](c2ccc(CP(=O)(O)O)cc2)/C=C/C[C@@H](Cc2cccc3ccccc23)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRZDVCTSBJOQD-GZNVFMSSSA-N", "SMILES:NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(CC(=O)O)cc2)/C=C/C[C@@H](Cc2cccc3ccccc23)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWGDZTBZWQPSHR-SLBDDTMCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCVJAAKDIWERJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1cc(C(=O)NCCc2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVYIHVKAGNTCMO-UHFFFAOYSA-N", "SMILES:O=C(O)CCCn1cc(C(=O)NCc2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOCDXRVHDVXMSJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(CCCCN)nc1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOCKKGFITVJYKW-UHFFFAOYSA-N", "SMILES:Fc1ccc(C#CCNc2ccnc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYXDOUYQXIQLLK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCC#Cc2ccc(Cl)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRRWASSOGKANJI-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C#CCNc2ccnc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLSPZEIHDBZTAQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C#CCNc2ccnc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQMFZSVWNWYPP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCC#Cc2ccc(Oc3ccccc3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBRFGEZLYOIFDK-UHFFFAOYSA-N", "SMILES:COc1ccc(C#CCNc2ccnc(C(F)(F)F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWINBGSVYGDGGV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C#CCNc2ccnc(C(F)(F)F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWZBMEBOXFBNMP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C#CCNc2ccnc(C(F)(F)F)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURDNNDYEAXLMB-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C#CCNc2ccnc(C(F)(F)F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVQGPPMTJYASRY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C#CCNc2ccnc(C(F)(F)F)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYGYDXIHQQNFSS-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCCNc2ccnc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVMRBNFCFZVLI-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCCCc2ccc(Cl)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIKVEOICQHVJD-SNAWJCMRSA-N", "SMILES:FC(F)(F)c1cc(NC/C=C/c2ccc(Oc3ccccc3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZFKJZRALGBMB-UHFFFAOYSA-N", "SMILES:Nc1cc(NCCCc2ccc(F)cc2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTVZJRWLKBMZQF-OWOJBTEDSA-N", "SMILES:FC(F)(F)c1cc(NC/C=C/c2ccc(Cl)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPIRQQAEQIKOTI-NPQXBDIISA-N", "SMILES:COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3cc(C(C)(C)C)cc2Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn4)nn2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn4)nn2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn4)nn2)C3)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1"]}
{"name": "C-type lectin domain family 4 member M", "xref": ["CHEMBL.TARGET:CHEMBL2176858"], "id": "UniProtKB:Q9H2X3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRUANAZHZBDTA-IKTJQNAASA-N", "SMILES:COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3cc(C(C)(C)C)cc2Sc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)nn2)Sc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)nn2)Sc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)nn2)S3)nn1)C(=O)CCCCCn1cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURDQYHUBCHBPF-XBANDQJDSA-N", "SMILES:C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5cc(C(C)(C)C)cc4Cc4cc(C(C)(C)C)cc(c4OCCCn4cc(CN(O)C(=O)CCCCCn6cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn6)nn4)Cc4cc(C(C)(C)C)cc(c4OCCCn4cc(CN(O)C(=O)CCCCCn6cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn6)nn4)Cc4cc(C(C)(C)C)cc(c4OCCCn4cc(CN(O)C(=O)CCCCCn6cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn6)nn4)C5)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWUKMWCAXFKKIK-DRUGFRRLSA-N", "SMILES:CC(C)(C)c1cc2c(OCCCn3cc(CN(O)C(=O)CCCCCn4cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn3)nn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPVPHCJYQKMTF-NSTFTWSTSA-N", "SMILES:COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3cc(C(C)(C)C)cc2Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)nn2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)nn2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)nn2)C3)nn1)C(=O)CCCCCn1cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKEGTHWMJFJHBL-ZRVUYJCFSA-N", "SMILES:COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3cc(C(C)(C)C)cc2Sc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn4)nn2)Sc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn4)nn2)Sc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn4)nn2)S3)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZGCJCMOBCMKK-SXUWKVJYSA-N", "SMILES:C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL365590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQZGKKKJIJFFOK-PQMKYFCFSA-N", "SMILES:OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL195368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVAGTYPODGVJG-VEIUFWFVSA-N", "SMILES:CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5083545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLKZNKHEAOQHV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1nc(C(=O)Nc2cccc(C(=O)N(C)C)c2O)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYINGWINPGXJLZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2nc(C(=O)Nc3cccc(C(=O)N(C)C)c3O)n(C)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUINRYQBGSUXCH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cccc(NC(=O)c2nn(-c3ccc(C(C)(C)C)cc3)c(=O)n2C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGIPJUMZIMTMF-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(-n2nc(C(=O)Nc3cccc(C(=O)N(C)C)c3O)n(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPJOSYMMJKVBO-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(-c2ccc(C(F)(F)F)cc2)nc1C(=O)Nc1cccc(C(=O)N(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQBZVUNNWUIPMK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5093769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRENYPMYWJFVJG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2ccccc2Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZEOLZCBYJQGGE-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPJOGPQEBUNPJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccccc2Nc2cccc(C)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIRSADZWNMOOCD-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJLSDCXRGCLNB-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWUXWNDVKZWHPM-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYHACMYGOFQJX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATYNCWXASKYNI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121626", "category": ["biolink:ChemicalEntity"], "name": "TOLFENAMIC ACID", "xref": ["InChIKey:YEZNLOUZAIOMLT-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)O"], "synonym": ["Tolfenamic acid", "Tolfenamic acid", "Tolfenamic acid", "Acide tolfenamique", "Acido tolfenamico", "N-(3-chloro-o-tolyl)anthranilic", "Tolfenamic acid", "NSC-757873", "Clotam", "Clotam rapid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5085349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTBKWYHZIZMHK-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2ccccc2Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMRZMKVQRBRGBG-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccnc2Nc2cccc(Cl)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJSHXYMNKQVGT-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTYAEAGHLHTJRS-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ncccc2Nc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVGRAEKLNHTXEZ-QRQIAZFYSA-N", "SMILES:COc1cc(/C=C2\\S/C(=N/c3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1496098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBDSHCUSXQATPO-OIXOFKMYSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1\\Nc2ccccc2\\C1=N/O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5077922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDDICYZKIWIRAX-UHFFFAOYSA-N", "SMILES:CCCNC(=O)Nc1cc(/C(=N/O)Nc2ccc(F)c(Br)c2)ccc1N(CC(C)C)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXAMMYFUYYJLI-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(C)C)c1ccc(/C(=N/O)Nc2ccc(F)c(Br)c2)cc1NC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDURYBICOVLLRL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(/C(=N/O)Nc3ccc(F)c(Br)c3)ccc2N(CC(C)C)CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIERQZMNCCUICV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(/C(=N/O)Nc3ccc(C)cc3)ccc2N(CC(C)C)CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTQVFYPEYMMTQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N/C(=N\\O)c2ccc(N(CC(C)C)CC(C)C)c(NC(=O)Nc3cncnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLPKBBAWLOBCT-UHFFFAOYSA-N", "SMILES:CCCNC(=O)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBBNURYNHPCFQS-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)Nc1cc(/C(=N/O)Nc2ccc(F)c(Br)c2)ccc1N(CC(C)C)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNWQGSGANNSKKR-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(C)C)c1ccc(/C(=N/O)Nc2ccc(F)c(Br)c2)cc1NC(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQPXYOKESPQKO-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(C)C)c1ccc(/C(=N/O)Nc2ccc(F)c(Br)c2)cc1NC(=O)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVKFMLOZNPKJJ-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(C)C)c1ccc(/C(=N/O)Nc2ccc(F)c(Br)c2)cc1NC(=O)Nc1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJZWHPATRMRQTH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAACYJDAYHIGFE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]c(=O)ccc2c1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZDOSSJCONKFC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ccc(=O)[nH]c2c1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REKBJBOUOQLGRP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ccc(=O)[nH]c12)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAALBRKTZLZYDR-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCJPDIQGNIEQI-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOOBFKWOBZETM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJZVTWUUXUVVTD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSZRZYDYCQMQJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYIHGUPTZKWIZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXRKSCXINNDKBQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFYCQSKVLBXKCI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYKZTRNPYFHNAG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSQICHSQBZNXIC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIKNKRWNNBGIT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNFURCPOFWHQG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRDVAINOCNIGW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWUODIUGMJYHNK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLEXAUHLNJBZLL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVDZHUYBIMMMDC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)c2ccc(F)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTRLNXNYCXIRPF-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)o1"]}
{"name": "Urea transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL2163171"], "id": "UniProtKB:Q8VHL0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUTATTUIKWFIMI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCEAOATVQBIYBO-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYGMMAXPTRPJTK-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OCCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEYMPEZGDPPBFP-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OC2CN(CC(=O)NO)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHEFUKPQROZRMX-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OCCCOc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCPOUUZMQXCEH-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIUMVCLIEQAIJJ-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(C(=O)N2CCN(CCC(=O)NO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHMORGPLUJFKC-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(C(=O)N2CCN(CCCC(=O)NO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRSXDBCXFVHBKC-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(C(=O)N2CCN(CCCCC(=O)NO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHYXFHKNGHRXJL-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBUBTKSEEWUEDG-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OCCCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBLPYJPRTQMOIH-ONEGZZNKSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OC/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEVBEICSOSELFG-UHFFFAOYSA-N", "SMILES:CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OC2CN(CCC(=O)NO)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBTIRQPCNMRDMN-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1NC(=O)Nc1ccc2c(c1O)S(=O)(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVNMVNLWLGAXGH-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1O)S(=O)(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCXQWNZJGLUIMB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1O)S(=O)(=O)CCC2)Nc1cccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBHJDMIJDOJKY-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccccc2Cl)c(Nc2ccc3c(c2O)S(=O)(=O)CCC3)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGCKHVQLQVKMO-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccccc2Br)c(Nc2ccc3c(c2O)S(=O)(=O)CCC3)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPWJIQKPWCTNI-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccc3c(c2O)S(=O)(=O)CCC3)c(Nc2cccc(Cl)c2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLYGCBHAAJYMQU-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1Nc1c(Nc2ccc3c(c2O)S(=O)(=O)CCC3)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZTYIAYMFJURSF-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccc3c(c2O)S(=O)(=O)CCC3)c(Nc2cccc(F)c2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSNWVLXAJYLUQC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)Nc1ccc2c(c1O)S(=O)(=O)CC=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOAIGTYCMVAJBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)Nc1ccc2c(c1O)S(=O)(=O)CC=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGRXJIKFXVJDM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Br)Nc1ccc2c(c1O)S(=O)(=O)CC=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCNQLPVMZYAPK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)Nc1ccc2c(c1O)S(=O)(=O)CC=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXKOYMENUTVTF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1O)S(=O)(=O)CCC2=O)Nc1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZWZQKBIBFKIOD-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1NC(=O)Nc1ccc2c(c1O)S(=O)(=O)CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFVLYSTYBJMHT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1O)S(=O)(=O)CCC2)Nc1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKXAURUQGMTHDU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)Nc1ccc2c(c1O)S(=O)(=O)CC=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVCCRGCJQFXHL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2ccc3c(c2O)S(=O)(=O)CC=C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMGLNRJLPGXHSS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1O)S(=O)(=O)CC=C2)Nc1cccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXHVXVYEKBHVGU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1Cl)Nc1ccc2c(c1O)S(=O)(=O)CC=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHKYCVNOWIFAX-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccccc2Cl)c(Nc2ccc3c(c2O)S(=O)(=O)CC=C3)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLEAYTXAUVJEEP-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccccc2Br)c(Nc2ccc3c(c2O)S(=O)(=O)CC=C3)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHNRCHFYQXLLME-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccc3c(c2O)S(=O)(=O)CC=C3)c(Nc2cccc(Cl)c2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSUKXNRKIXNWMR-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1Nc1c(Nc2ccc3c(c2O)S(=O)(=O)CC=C3)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPRBKPALKAUYDB-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccc3c(c2O)S(=O)(=O)CC=C3)c(Nc2cccc(F)c2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTLRWOHEKQGKDS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYWNGDNHJYMMEN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1O)S(=O)(=O)CC=C2)Nc1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMDQIYPTGGKMN-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1NC(=O)Nc1ccc2c(c1O)S(=O)(=O)CC=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUWMVQKAGFNXGJ-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1O)S(=O)(=O)CC=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQWMHCVQFMJLDS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)Nc1ccc2c(c1O)S(=O)(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZVNQXGGQLKJHG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)Nc1ccc2c(c1O)S(=O)(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDYLCJAMPLRHNH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Br)Nc1ccc2c(c1O)S(=O)(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQYSDYFLBUOAQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)Nc1ccc2c(c1O)S(=O)(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSQGLWDUWSHPO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2ccc3c(c2O)S(=O)(=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDINOEOOUILKFN-AKJBCIBTSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@H]2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULMQLITKMCMAK-NEKDWFFYSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccc(F)cc3CC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNHYVESLYMWXEL-NEKDWFFYSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3cc(F)c(F)cc3CC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGHKQPFBIYQAO-PWUYWRBVSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CCC[C@@]21OC(=O)N(CC(=O)N2Cc3ccc(F)cc3CC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLJVYAAMGQNOV-AVRWGWEMSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3sccc3OC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXSUJYIAFJZLAJ-KDYSTLNUSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3cc(F)ccc3OC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OICAHOQZWFDNHP-MHECFPHRSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3sc(C)c(C)c3OC[C@H]2C(F)(F)F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGAAGDNMRXFIBD-RBISFHTESA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CCC[C@@]21OC(=O)N(CC(=O)N2Cc3cc(F)ccc3OC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXPWHYWZIJKLJ-NEKDWFFYSA-N", "SMILES:CNC(=O)Nc1cc2c(cc1F)[C@@]1(CC2)OC(=O)N(CC(=O)N2Cc3ccc(F)cc3CC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGAVEEORSJOUOB-KDYSTLNUSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)COC[C@@]21OC(=O)N(CC(=O)N2Cc3cc(F)ccc3OC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEYACZELJYCMI-RBISFHTESA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)OCC[C@@]21OC(=O)N(CC(=O)N2Cc3ccc(F)cc3CC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEXIHFMBFZCSJ-WXVAWEFUSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3cccnc3CC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBCMAPQJHUHFJH-WXVAWEFUSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccncc3CC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYFJLWOWNNRESN-WXVAWEFUSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3cnccc3CC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFOWHCHCRRILAW-WXVAWEFUSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ncccc3CC[C@H]2C2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZENKUQGXHYGPAV-FSJBWODESA-N", "SMILES:N=C(NCCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYXJTJNBMRVDGJ-WYMPLXKRSA-N", "SMILES:Cc1ccc2c(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRUAPDZZCCZJL-WYMPLXKRSA-N", "SMILES:Cc1cccc2c(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNWGXEVGBHRIQN-WYMPLXKRSA-N", "SMILES:COc1ccc2[nH]cc(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOVBLSMZYVQBPJ-WYMPLXKRSA-N", "SMILES:COc1ccc2c(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYYEBZBCYBVSK-WYMPLXKRSA-N", "SMILES:COc1cccc2c(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCNAXPBNVJKPBR-BHGWPJFGSA-N", "SMILES:N=C(NCCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2cccc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIXKXSRASRLTFJ-BHGWPJFGSA-N", "SMILES:N=C(NCCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSVTWPVEFQNRW-BHGWPJFGSA-N", "SMILES:N=C(NCCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAMLZVJPHGROOP-BHGWPJFGSA-N", "SMILES:N=C(NCCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYFUCVQCMZCVMF-BHGWPJFGSA-N", "SMILES:N=C(NCCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCXQJRMQBQVQB-BHGWPJFGSA-N", "SMILES:N=C(NCCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNHTGJJXVRLCE-BRJLIKDPSA-N", "SMILES:COC(=O)c1ccc2[nH]cc(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKYDIBOBYLUKL-FOKLQQMPSA-N", "SMILES:N=C(NCCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJHRILGJLEDEZ-BRJLIKDPSA-N", "SMILES:N#Cc1ccc2[nH]cc(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIIZGJSJOEPKG-BRJLIKDPSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVPQAUYRLLGPB-RPPGKUMJSA-N", "SMILES:Cc1cc(C#N)cc2c(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVUWLFAGWQRUIP-LGJNPRDNSA-N", "SMILES:CCc1cc(OC)cc2c(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNQBSQTMAGKMD-DHRITJCHSA-N", "SMILES:COc1ccc2[nH]cc(/C(C)=N/NC(=N)NCCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJRSHRHMKXFHA-LSHDLFTRSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)Nc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROMPBKFJCUUBFM-BHGWPJFGSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWJVHUIJHYPWND-LGJNPRDNSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRUKDRJTDVYBKN-ZMOGYAJESA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKZBFQWOIDZIIT-BRJLIKDPSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccccc3Cl)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIFWBBGLPXYSFV-BRJLIKDPSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3cccc(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGIPHTRWXCTQHW-KBKYJPHKSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccc(Cl)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZYOIAFWJKTQE-BRJLIKDPSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccc(F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIDCXDDGHPRSDI-BRJLIKDPSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccc(Br)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSHLGCTYVIDPHR-BRJLIKDPSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccc(I)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSELNYGDLSDGRS-DHRITJCHSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccc(C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSDLBOSEXKJHI-DHRITJCHSA-N", "SMILES:COc1ccc(CCNC(=N)N/N=C/c2c[nH]c3c(C)cc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUAOYRCXWAFJP-VULFUBBASA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccc(N(C)C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZDRAXZOZKRAE-WYMPLXKRSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccc([N+](=O)[O-])cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYZWGIYSEROFSK-LGJNPRDNSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccc(C#N)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFHJZDMKRBSGJ-LGJNPRDNSA-N", "SMILES:COC(=O)c1ccc(CCNC(=N)N/N=C/c2c[nH]c3c(C)cc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHZCLIBWOWMQRS-WYMPLXKRSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccccn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBRORWXZILFBPG-WYMPLXKRSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3cccnc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACULWSSQHKTJKB-WYMPLXKRSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMTNHYSNEKVIMW-SSDVNMTOSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3cccs3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEJODAIERJKDND-LSHDLFTRSA-N", "SMILES:COc1cc(C)c2[nH]cc(/C=N/NC(=N)NCCc3ccsc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZJPOFOYZUXLLW-LGJNPRDNSA-N", "SMILES:CCc1cc(OC)cc2c(/C=N/NC(=N)NCCc3ccc(F)cc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTTUIIYPZFKIHD-MZJWZYIUSA-N", "SMILES:CCc1cc(OC)cc2c(/C=N/NC(=N)NCCc3ccc(C#N)cc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTYBLAVEQVZGP-DHRITJCHSA-N", "SMILES:CCc1cc(OC)cc2c(/C=N/NC(=N)NCCc3cccnc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVYUSRYHWXGLX-UVHMKAGCSA-N", "SMILES:COC(=O)c1ccc(CCNC(=N)N/N=C/c2c[nH]c3c(C)cc(C#N)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXVWWQZWOYJKFK-LGJNPRDNSA-N", "SMILES:CCc1cc(C#N)cc2c(/C=N/NC(=N)NCCc3cccnc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMZRQFCXZFUHW-WYMPLXKRSA-N", "SMILES:Cc1cccc2[nH]cc(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEZBYPDUVYEZQQ-WYMPLXKRSA-N", "SMILES:Cc1ccc2[nH]cc(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRFDAXOQBILMX-BHGWPJFGSA-N", "SMILES:N=C(NCCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccc(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSHZFKVXGRVRTM-XJLLBULKSA-N", "SMILES:COc1cc(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWRPPLDZCSLKBD-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)[nH]c(SCC(=O)c2ccc3ncccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZXZNMOGHQVSKK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nccc(=O)[nH]1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXJYKCTIPZAMR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(OCc2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKXRGAUIDHCJSS-VIFPVBQESA-N", "SMILES:CCC[C@@H](CNc1ccc([N+](=O)[O-])c2nonc12)Oc1ccc(F)c(C(N)=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMHUMICZHWTSU-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(OCCCc2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPJFTLSXPCJEKL-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXYGMHFCPWWEE-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2ccccc2C(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRFNHIJSGVXHPW-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2cccc(C(F)(F)F)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLXMHUZYITWFX-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCc2ccc(C(F)(F)F)cc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGIMPRHGNKTJOM-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCCc2cccc(C(F)(F)F)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHJEUGFXWKVLT-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCCCc2cccc(C(F)(F)F)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPOPCOQOUQATK-UHFFFAOYSA-N", "SMILES:CN(C)CCC(Oc1ccc(F)c(C(N)=O)c1F)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJJQAFTRAMDEK-VIFPVBQESA-N", "SMILES:CCC[C@@H](COc1ccc(F)c(C(N)=O)c1F)Nc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWDQMISBWIXMF-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCCNc2cccc(C(F)(F)F)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQMKFRLFDWUNG-UHFFFAOYSA-N", "SMILES:CCCC(COc1ccc(F)c(C(N)=O)c1F)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQMKFRLFDWUNG-CYBMUJFWSA-N", "SMILES:CCC[C@H](COc1ccc(F)c(C(N)=O)c1F)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQMKFRLFDWUNG-ZDUSSCGKSA-N", "SMILES:CCC[C@@H](COc1ccc(F)c(C(N)=O)c1F)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYCMBYPANJMRR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(OCCc2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJJQAFTRAMDEK-SECBINFHSA-N", "SMILES:CCC[C@H](COc1ccc(F)c(C(N)=O)c1F)Nc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIFFKOGOKBNKIB-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(Cl)c1)c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFLPRLRRUSMWCC-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(F)ccc(OCCNc2ccc([N+](=O)[O-])c3nonc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKXRGAUIDHCJSS-UHFFFAOYSA-N", "SMILES:CCCC(CNc1ccc([N+](=O)[O-])c2nonc12)Oc1ccc(F)c(C(N)=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJJQAFTRAMDEK-UHFFFAOYSA-N", "SMILES:CCCC(COc1ccc(F)c(C(N)=O)c1F)Nc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232908", "category": ["biolink:ChemicalEntity"], "name": "PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER", "xref": ["InChIKey:GXTIEXDFEKYVGY-KQYNXXCUSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)C[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL453452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWQAQJXFEPQZIV-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(C(N)=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXOSZORXDSUPK-UHFFFAOYSA-N", "SMILES:OCc1nc2cc(Cl)cnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSIRASBKXOPAHF-UHFFFAOYSA-N", "SMILES:O=C(Oc1cc(OC(=O)c2cc(O)cc(O)c2)c2ccccc2c1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPPKXGOTHNIHC-KRWDZBQOSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4cccc(Cl)c4F)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRZGHLZSVRDBHJ-INIZCTEOSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(N[C@H]3CCN(C(=O)c4cccc(Cl)c4F)C3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFZDOVTUBVZLI-HNNXBMFYSA-N", "SMILES:Cc1cc(Nc2cc(N3CC(N(C)C)C3)nc(N[C@H]3CCN(C(=O)c4cccc(Cl)c4F)C3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJKPTZNWRFCMEL-IRXDYDNUSA-N", "SMILES:Cc1cc(Nc2cc(N3CC[C@H](N(C)C)C3)nc(N[C@H]3CCN(C(=O)c4cccc(Cl)c4F)C3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQXLGARIRKUTE-INIZCTEOSA-N", "SMILES:Cc1cc(Nc2cc(N(C)CCN(C)C)nc(N[C@H]3CCN(C(=O)c4cccc(Cl)c4F)C3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCZPPJOBDUTCTF-FQEVSTJZSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccccc4)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGNPHPXNXWUWCV-FQEVSTJZSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)cc4)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKQVECVHPZIFDK-SFHVURJKSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)cc4Cl)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNRDGQFAJGLHI-FQEVSTJZSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)cc4C)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJDSHQAWGDCTKV-SFHVURJKSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)c(F)c4)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLPOXUOZANBTLI-FQEVSTJZSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)c(C)c4)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFTLWULOUYPWBT-SFHVURJKSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4cc(Cl)ccc4F)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIGOXZDFNSYNP-SFHVURJKSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)cc4F)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWOFEBPCXFGXOA-KRWDZBQOSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4c(F)cc(Cl)cc4F)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCZOHVPDZIKPSZ-INIZCTEOSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4cc(F)c(Cl)cc4F)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWLQLWCWDKMIQ-INIZCTEOSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)c(F)c4F)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSIZPIFQAYJGF-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDEQMCUCWNLUJE-KCEHZKJRSA-N", "SMILES:Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN[C@H](C(=O)O)[C@@H](C)O)cc2[N+](=O)[O-])cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJOHJUFXCXJEF-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(-c4ccccc4)c3n2CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPENHNSHUXMQAV-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(-c4cccc(F)c4)c3n2CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHLNCNITYGSIRH-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(-c4ccc(F)cc4)c3n2CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQKWKUAPWYGIAS-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(-c4ccc(Cl)cc4)c3n2CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNOQELCPMFMCE-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc([N+](=O)[O-])c3n2CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGDLTRGGROAQK-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Cl)c3n2CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZSFAMFHMTZEJ-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Br)c3n2CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZHXRYOOSRHSE-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(C(F)(F)F)c3n2CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRDWCKQZSANVOS-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Br)c3n2CCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZJZANASSVMWGG-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Br)c3n2CCN1Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJEZUMNREBEZPG-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Br)c3n2CCN1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMMYRNEABEESW-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Br)c3n2CCN1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDHFLWIPDVGDHE-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Br)c3n2CCN1Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVCUKKQQJRKKW-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Br)c3n2CCN1Cc1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJSMRNAIDNGNBW-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Br)c3n2CCN1Cc1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYVNLBRJOKWEA-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(C(F)(F)F)c3n2CCN1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSGTBDFTPWQRK-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Br)c3n2CCN1Cc1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXANFWIFVUNTCN-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(Br)c3n2CCN1CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZRPSWLIVDAIT-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(C(F)(F)F)c3n2CCN1CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTGVOXRCRXENCO-UHFFFAOYSA-N", "SMILES:O=C1c2nc3cccc(C(F)(F)F)c3n2CCN1CC1CC2CCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQTZXNPIJZSXKK-HIFRSBDPSA-N", "SMILES:C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(OC(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMOSANHURQDXDL-UHFFFAOYSA-N", "SMILES:Cn1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRTPHTIUPGHIRD-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3n2CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKPBYKKZZCOMKI-MIDHOLSSSA-N", "SMILES:C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1[C@]12COC[C@H]1CSC(N)=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKXLLHCQBVONES-MPDRSUQMSA-N", "SMILES:C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1[C@]12CN(c3ncccn3)C[C@H]1CSC(N)=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGQEVKVRRYAQC-IFEDNLKFSA-N", "SMILES:C[C@@H]1C[C@H]1COC(C)(C)[C@@H]1C[C@H]1[C@]12CN(c3ncccn3)C[C@H]1CSC(N)=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333941", "category": ["biolink:ChemicalEntity"], "name": "LY-2811376", "xref": ["InChIKey:MJQMRGWYPNIERM-HNNXBMFYSA-N", "SMILES:C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1"], "synonym": ["Ly-2811376", "Ly2811376", "J3.079.793K", "LY2811376"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396989", "category": ["biolink:ChemicalEntity"], "name": "LY-2886721", "xref": ["InChIKey:NIDRNVHMMDAAIK-YPMLDQLKSA-N", "SMILES:NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1"], "synonym": ["Ly-2886721", "Ly2886721", "LY2886721"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSGLQMSNAUWSBD-UROSVOJDSA-N", "SMILES:Cl.Cl.NC1=N[C@@]2(c3cccs3)CN(c3ncccn3)C[C@H]2CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZSBINBHKTCQF-HDWCWOBCSA-N", "SMILES:Cl.NC1=N[C@@]2(c3cccs3)CN(c3ncc(F)cn3)C[C@H]2CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHRVFCRBVPILGC-HDWCWOBCSA-N", "SMILES:Cl.NC1=N[C@@]2(c3cnccn3)CN(c3ncc(F)cn3)C[C@H]2CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3701715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEMKBBMCDHHRMT-UXZWUECBSA-N", "SMILES:Cl.N#Cc1ccc([C@]23CN(c4ncc(F)cn4)C[C@H]2CSC(N)=N3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3701713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNKRWLWUZCYQD-GAYVKDPFSA-N", "SMILES:Cl.NC1=N[C@@]2(c3ccns3)CN(c3ncc(F)cn3)C[C@H]2CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPOMBJFPXUWGB-YTEVENLXSA-N", "SMILES:NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)CN(c3ncc(F)cn3)C[C@H]2CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNRQLHAIEKKCPQ-SAHAZLINSA-N", "SMILES:NC1=N[C@@]2(c3cc(NC(=O)c4ncc(F)cc4F)ccc3F)CN(c3ncc(F)cn3)C[C@H]2CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSRKMNBWMHJKY-YTEVENLXSA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]34CN(c5ncc(F)cn5)C[C@H]3CSC(N)=N4)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFOXUGASROPSO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(-c2ccc(OCCN3CCN(C(=O)CC4CC4)CC3)cc2)cn1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAGUIKJYWWCCRV-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(-c2ccc(OCCN3CCN(C(=O)C4CCC4)CC3)cc2)cn1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMJJNQNSSKWHQ-IZLXSDGUSA-N", "SMILES:O=C(Cc1ccc(-c2ccc(OCCN3CCN(C(=O)[C@@H]4C[C@@H]4F)CC3)cc2)cn1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLYVMLIKBPJPCX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(-c2ccc(OCCN3CCN(C(=O)C4CC4)CC3)cc2)cn1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLPQMPZBKMSNG-VDQMOLMXSA-N", "SMILES:CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN(C)C(=O)C[C@@H](Cc3ccc(NC(=O)[C@H](Cc4ccccc4Cl)NC(=O)Cc4ccccc4)cc3)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICPXLIMMNURILH-SBAMXTJPSA-N", "SMILES:CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN(C)C(=O)C[C@@H](Cc3ccc(NC(=O)[C@H](Cc4ccccc4Cl)NC(=O)Nc4ccccc4)cc3)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZAOGZJZZFASRR-KVUSFWMISA-N", "SMILES:CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN(C)C(=O)C[C@@H](Cc3ccc(NC(=O)[C@H](Cc4ccccc4Cl)NC(=O)NCc4ccccc4)cc3)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZSLHHNKTHQXBQ-QJTUDHFXSA-N", "SMILES:CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN(C)C(=O)C[C@@H](Cc3ccc(NC(=O)[C@H](Cc4ccccc4Cl)NC(C)=O)cc3)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHKAJCGQUXUHS-YTTGMZPUSA-N", "SMILES:O=C(CC1(CC(=O)N2CCCC2)CCCC1)NCCc1ccc(NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(F)(F)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWRXSIAIHJZTCV-MHZLTWQESA-N", "SMILES:CN(C)C(=O)CC1(CC(=O)NCCc2ccc(NC(=O)[C@H](Cc3ccccc3F)NC(=O)c3ccnn3C)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFRORFLEYHRHI-QXPUDEPPSA-N", "SMILES:CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)C(NC(=O)c2ccnn2C)Cc2cc(ccc2Cl)-c2cccc(c2)CCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSAOIBKJLLICU-RZMQOCHXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTOQZGHBKXEVAQ-OWTLXNSISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXONEMNSYOAQJT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(F)c(-c3ccc(C(=O)N(C)C)cc3)cc2Nc2ncnc(Cl)c2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFFXBULETHWEOW-VJBKIIAZSA-N", "SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)O)[C@@H]1O)C(O)C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O"]}
{"name": "N-alpha-acetyltransferase 40", "xref": ["CHEMBL.TARGET:CHEMBL4523373"], "id": "UniProtKB:Q86UY6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGVUJVQAVLSJD-SQJDFVELSA-N", "SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)O)[C@@H]1O)C(O)C(=O)NCCC(=O)NCCSCCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APXPUOATHNWDSY-CXBCRSPRSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)O)[C@@H]1O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBMHCGBRSLTYIH-DPNOJTNISA-N", "SMILES:C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)CCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)O)[C@@H]1O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQGKUVAYFDDCW-YFDVULCBSA-N", "SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)O)[C@@H]1O)C(O)C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJAGZKFUWHSAH-IXIPRJPASA-N", "SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)O)[C@@H]1O)C(O)C(=O)NCCC(=O)NCCSCCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOHKSNGYJMRHS-ACCJOOSOSA-N", "SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)O)[C@@H]1O)C(O)C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNKJQUKEAVEJP-COAFRRLOSA-N", "SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)O)[C@@H]1O)C(O)C(=O)NCCC(=O)NCCSCCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBQRCLUCCSTZED-IUPNPMBJSA-N", "SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)O)[C@@H]1O)C(O)C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPPCPCFIUDCYOD-KKUMJFAQSA-N", "SMILES:CCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGLXXCBEXDRNS-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKCAKZBESAMWSE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)N(C)C4=O)C5=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESQMVSOZXARLD-UHFFFAOYSA-N", "SMILES:CC(Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESQMVSOZXARLD-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESQMVSOZXARLD-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLMZCZZBAXQNLI-SNVBAGLBSA-N", "SMILES:CC(C)n1ncc2c(=O)[nH]c(N[C@H](C)C(=O)N3CCOCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUHZKIIMGBOKC-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUICFNAKRQVWFN-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCOC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHAKZCZANDPTRW-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDYWCSQJTUBGNV-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYZLPHGMHRLNSZ-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCSCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLVFBKDTJYHGZ-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRFIMQFTKSKGIK-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGTCMYGKGIMPKU-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCC(Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNCLNNXXAFHVNR-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCC(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNLJMIXAZSZRV-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIPLKEXANPIPQB-GFCCVEGCSA-N", "SMILES:COC1CCN(C(=O)[C@@H](C)Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVMMQQWUXFKLK-JHJMLUEUSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCCC(C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJIGUMJMCNGSP-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCC(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJXGHHNPNGRGBH-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CC2(CC(F)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLFSRGFDQVONIG-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CC2(CC(Cl)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMMIDZWTNQYEIY-MTJYQENUSA-N", "SMILES:O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1cccc(NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLHNYPXKZJKLV-MTJYQENUSA-N", "SMILES:O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1cccc(S(=O)(=O)NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSKKVAOIPURFT-DNHBMKCVSA-N", "SMILES:O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1cccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCOKRBRUWINCT-JSXFGMRASA-N", "SMILES:O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1cccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPFFPWNKWSYQFT-LPHAKTNPSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2cccc(NC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBQSCBEINUNFL-LPHAKTNPSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2cccc(S(=O)(=O)NC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCWMWBOATWMJV-KHOVPCMASA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2cccc(CNC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBDCOLBZYWXHD-LRHLLKFHSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2cccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQAAEPBIUDFDEW-LRHLLKFHSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORHJTPMSJPFRV-GIWKVKTRSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)Cc2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDJHWDZCYJWKL-LRHLLKFHSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)cc2F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRMSHAGABTCLH-LRHLLKFHSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(F)c(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCRMTWEYYSCRD-CDZUIXILSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKXFJPAQDRLEKW-CDZUIXILSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3F)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFXKPOGXYIUCIO-CDZUIXILSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3cccc(F)c3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODWATANCIXAGIL-SMCANUKXSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3cccnc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUXFZBTYCXVWMW-JDXGNMNLSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccn3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USQNTAQKHGOWIT-XCZPVHLTSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3nccs3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWASGQHJVWHEGW-CDZUIXILSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3cccc(C(F)F)c3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPUTUJYQVKLZFM-CDZUIXILSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3cccc(O)c3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFWWJNLLWVVTRM-SMCANUKXSA-N", "SMILES:COc1cc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3F)s2)ccc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRHLHLUMQVPNV-CDZUIXILSA-N", "SMILES:CCOc1cc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3F)s2)ccc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSRWDLRELIAAE-WEZIJMHWSA-N", "SMILES:CC(C)Oc1cc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3F)s2)ccc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARGMWPYBTVRQRU-TWJUONSBSA-N", "SMILES:O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWZSUHVKPQVIU-IYBDJRMXSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKFFZIONLBHKZ-IYBDJRMXSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3F)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGXRDCNNLFFQN-YZSHGGLSSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN(C)C(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLARDYNKWZLHG-QIHGRTJTSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)OC3C[C@H]4CC[C@H](C3)N4C)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRQYCBDVBKXRPN-JKNLKRECSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)OC3CCN(C)CC3)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXXBTHJBOIRBM-HXVHZXKXSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)O[C@@H]3CCN(C)C3)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBWZGQVJWDZGQ-GEYMQNLTSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)OC[C@H]3CN4CCC3CC4)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFHAWFMUWLTNQ-PTYUOYDSSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)OCC3CCN(C)CC3)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLWRKJHIOZSLE-HXVHZXKXSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)OC[C@H]3CCN3C)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPCLLJJNGJAEPS-NPHAVVRNSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)OCCN(C)C)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERNTVKEWCAPOY-VOGVJGKGSA-N", "SMILES:C[N+]1(C)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5093650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOPCGIPHGGWMV-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2c(F)cccc2F)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPIHWIYVZOFQR-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2c(F)cccc2F)c2c(-c3ccnc(N)n3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGEGGAFJSKMJJD-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2ncccc2F)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFPPDKMUCDGCU-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc3c(c2)OCO3)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLAFFPNXVJANFR-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]ccc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJWWZSAYOTJGO-XYOKQWHBSA-N", "SMILES:Cc1ccc(/C=C2/C(=O)Nc3ccccc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVWGRSYEFVJHCX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N)nc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3751985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPAGEJODHNVJNM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUMDMPJAQOGMFA-UHFFFAOYSA-N", "SMILES:Cn1c(Br)c(C#N)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2432026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPLJPHQKPGNHT-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2[nH]nc(-c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWRQGAFGEAHGJN-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cl)c2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLOGAYWXLQMVAY-UHFFFAOYSA-N", "SMILES:CCn1c(-c2cccnc2)c(C#N)c2c(N)nc(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZKHIOSNPYLOFA-UHFFFAOYSA-N", "SMILES:CCn1c(-c2cccc(F)c2F)c(C#N)c2c(N)nc(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKHTOGLYDVYHJ-UHFFFAOYSA-N", "SMILES:Cc1nc(N)c2c(C#N)c(-c3cccc(F)c3F)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPUCAWWQYICEQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2c(C#N)c3c(N)nc(C)nc3n2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTIXWGVHIIMHV-UHFFFAOYSA-N", "SMILES:Cc1nc(N)c2c(C#N)c(-c3cccnc3)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVFEGNSWDVVKZ-UHFFFAOYSA-N", "SMILES:Cc1nc(N)c2c(C#N)c(-c3cccnc3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGUUMOKKGMCFT-UHFFFAOYSA-N", "SMILES:Cc1nc(N)c2c(C#N)c(-c3cccc(F)c3F)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJVVYBVCYREFU-UHFFFAOYSA-N", "SMILES:COc1nc(C)nc2[nH]cc(-c3ccncc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOYYMSNZEWQWQJ-UHFFFAOYSA-N", "SMILES:COc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOHWYEVCBPDAIO-UHFFFAOYSA-N", "SMILES:COc1nc(C)nc2[nH]cc(-c3ccnc(C)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASCVUQZVVRYRBG-UHFFFAOYSA-N", "SMILES:COc1nc(C)nc2[nH]cc(-c3cccc(C(N)=O)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRUBRVNNGHYBSF-UHFFFAOYSA-N", "SMILES:COc1nc(C)nc2[nH]cc(-c3ccnc(F)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKQJVMFRENZSJS-UHFFFAOYSA-N", "SMILES:COc1nc(C)nc2[nH]cc(-c3ccc(F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWRQNVDGLTUELI-UHFFFAOYSA-N", "SMILES:Cc1nc(OCc2ccsc2)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIJWGWNHXQYIJC-UHFFFAOYSA-N", "SMILES:Cc1nc(OCc2cc(C)on2)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOIOWDZKEWEOQP-UHFFFAOYSA-N", "SMILES:Cc1nc(OCc2cscn2)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBGUCDLLEIGHHP-UHFFFAOYSA-N", "SMILES:Cc1nc(OCc2cncs2)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLAPBLMPGXKRBF-UHFFFAOYSA-N", "SMILES:Cc1nc(OCc2ccccc2)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXTWZUAIQCVBB-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2ccccc2)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCRALOGJOLXCU-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2cccs2)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWCFCQJKXIENS-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2ccsc2)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFWXUJORMCFKY-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2ccoc2)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKJOIFHPPKVMJX-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2cscn2)c2c(-c3ccnc(N)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGYSFMJVCMPRM-LUZRJMTQSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@H](NC(=O)CN)CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSCS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLKJPLAVVLRRJ-JTFWLEIXSA-N", "SMILES:C[C@H](O)[C@H]1NC(=O)[C@@H]2NC(=O)[C@@H](NC(=O)CN)CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccc(O)cc1)CSCS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJJLLNHELGKSNA-CXWGVNAASA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC(CSCC(N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBQBUFAUUCDRK-UYBBICMOSA-N", "SMILES:C=CCN1CC#CCN(NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STQZYCNSDCFXDO-DVMOVCEQSA-N", "SMILES:C=CCN1CC#CCN(NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMYPOCGLSYDMK-FNPJULINSA-N", "SMILES:C=CCN1CC#CCN(NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFUQICKQULKWAQ-SZTNFRRKSA-N", "SMILES:C=CCN1CC#CCN(N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFBFNFMIVBOIKQ-DMAYCXJESA-N", "SMILES:C=CCN1CC#CCN(NC(C)=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBMZMSLWNNWEJA-XNCRXQDQSA-N", "SMILES:C=CCN1CC#CCN(NC(=O)[C@H](C)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFSWSJGAPAUNI-FPVQEZTNSA-N", "SMILES:C=CCN1CC#CCN(NC(=O)[C@H](C)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMDYBWSCTZRNR-WTBDQHARSA-N", "SMILES:C=CCN1CC#CCN(NC(=O)[C@H](C)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVCNQDOGGUJMB-NZKBGZLGSA-N", "SMILES:C[C@H](N)C(=O)NN1CC#CCN(CC2CC2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSZWPQHPFQQDZ-XNCRXQDQSA-N", "SMILES:CCCN1CC#CCN(NC(=O)[C@H](C)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXUFEDJHTDQEGK-WTRJQWOUSA-N", "SMILES:C=CCN1CC#CCN(NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUHWBZVHGCCSO-XNCRXQDQSA-N", "SMILES:CCCN1CCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N(NC(=O)[C@H](C)N)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGIIRFLVYWPLST-ZOWZXJNPSA-N", "SMILES:C[C@H](N)C(=O)NN1C/C=C\\CN(CC2CC2)CCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQBGEJDNBTHJK-XNCRXQDQSA-N", "SMILES:C=CCN1CC#CCN(NC(=O)[C@H](C)N)S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CCCC1"]}
{"name": "Platelet glycoprotein 4", "xref": ["CHEMBL.TARGET:CHEMBL2163174"], "id": "UniProtKB:Q07969", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMIXUSJYTSMKEI-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCJCGOACDUCMOP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2ccc(N)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZUGBXYWEQVSDD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(N3CCCC3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEDSYKQSMZFCKD-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)Nc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLXIQKGMBAIIA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(C3(C(F)(F)F)CC3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSUVNSPAVWNEF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXKRVGZLVQWDHU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJVZDVHPFAFHO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWJNQHPEZUJAH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKVCQFBTQEORJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAEVSFGKJBMVRJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBGFRCRZXKADB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWLHXXTRZGHPR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(C34CC(C3)C4)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKALXYEQPVWJT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHZJWWWKJOYZLI-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZLTMCQFRDCCY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2ccc(NS(=O)(=O)C3CC3)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMALQYUTALFADG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(CC(F)(F)F)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTFHZSOPOSMKX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKFEGALHSLAOA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(N3CCC3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDWWMABQSDHORS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCPYOTFKUUCNJW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2c(F)cc(NS(C)(=O)=O)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHDNYHYVULLTJZ-UHFFFAOYSA-N", "SMILES:COC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMNYDVCLZFBKBB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECJCBKWXXEMHA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(C3(O)COC3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGPHUPKUHIHGM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2ccc(NS(=O)(=O)C(F)(F)F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQLAQAHYZKKING-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQACBELOFNASHQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCc2c(Cl)cc(NS(C)(=O)=O)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQUIELKEKZKGMG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKIGUMFKBKJDP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(C(=O)NC2CCNCC2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNKGTZHAAMHYKK-HBLZZUKZSA-N", "SMILES:CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]1CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADNRYGCBMLNJN-NYLUFHIHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLGCHNGOJRZNC-QWMLEZLWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPVULTYLDIMYRI-RBKBAHBVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHCRROJIVFVLM-BCHBBXIYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDYYRHYWJPWOTC-XMXDSBKRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHIRSHLLKDOJGA-LPJYYAHMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMCLJESYNLOGEG-SOJQCDDKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCULCPVSLOFQPR-BWMRZITLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCISEPWWFQDZAP-ZTYVOHGWSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGKSNHUSKUVYHG-CAMZNCDDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNWLOSLCTAQNSO-AIMNYZPTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UICVQJGBBAMKDX-YKJXLCRQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPBMHXXQRAKPB-RVMKJBODSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHFHKCOOPQLGKC-XNYOGECLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELLOIOSXYBLCZ-FDCSYSEZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSMXNEYOFKPWFI-XNYOGECLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICCWOCOLMEXQP-HKMYQXKPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJBRYNBZSRMBZ-QBVFIYOBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMAXNXTRYYRCZ-QPVXHZIJSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCKSOAZIMLQBHU-QUSUUWNGSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXLVDOBKTIIMBE-WQLKSQOJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAXKNGODUAVCKD-UXBASLOYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVVLKBSYHAGXBD-PFHMOJLXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APHPBWUTFHDTLW-UQNCHQIHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POROYFCLMLQLJR-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2Oc2ccc(O)c(O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKVFVMKDWPEDY-UHFFFAOYSA-N", "SMILES:O=C(NCCNS(=O)(=O)c1ccc(-c2ccccc2Oc2ccc(O)c(O)c2)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINMDGXIPJQARJ-UHFFFAOYSA-N", "SMILES:O=C(NCCNS(=O)(=O)c1ccc(-c2ccccc2Oc2ccc(O)c(O)c2)s1)Nc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWBCKKVYCEXOQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2Oc2ccc(O)c(O)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKQHNVETDYPOL-UHFFFAOYSA-N", "SMILES:O=C(NCCNS(=O)(=O)c1cc(-c2ccccc2Oc2ccc(O)c(O)c2)cs1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQMBSLIFCQDIG-UHFFFAOYSA-N", "SMILES:O=C(NCCNS(=O)(=O)c1cc(-c2ccccc2Oc2ccc(O)c(O)c2)cs1)Nc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVQABNSNLSFBM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Oc2ccc(O)c(O)c2)c(-c2ccsc2S(=O)(=O)NCCNC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRFBSRORFJOWSY-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1sccc1-c1ccccc1Oc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZFVASYEXXPIM-UHFFFAOYSA-N", "SMILES:O=C(NCCNS(=O)(=O)c1sccc1-c1ccccc1Oc1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGQUHJXSXSEWBH-UHFFFAOYSA-N", "SMILES:O=C(NCCNS(=O)(=O)c1sccc1-c1ccccc1Oc1ccc(O)c(O)c1)Nc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDYXOAFSQUOZIB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cc(Cl)cc(Cl)c2)c(Oc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNOPFFLHSQDOV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Oc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKQBDFPXNUEHD-UHFFFAOYSA-N", "SMILES:O=C(NCCNS(=O)(=O)c1ccc(-c2ccccc2Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)s1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNOEGVEVNGKSV-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)NCCNS(=O)(=O)c2ccc(-c3ccccc3OCc3ccccc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYFNNHJUNKTCEH-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNC(=S)Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2OCc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXPXGFYLQILLA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NC(=S)NCCNS(=O)(=O)c2ccc(-c3ccccc3OCc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFJRBWADLWSPPB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(NC(=S)NCCNS(=O)(=O)c2ccc(-c3ccccc3OCc3ccccc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKJFYIFZTPZNNY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)NCCNS(=O)(=O)c2ccc(-c3ccccc3Oc3ccc(N)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIWFFMDAZUZDV-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)NCCNS(=O)(=O)c2ccc(-c3ccccc3Oc3ccc([N+](=O)[O-])cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGFSCILCGHAYPT-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NCCNS(=O)(=O)c2ccc(-c3ccccc3Oc3ccc([N+](=O)[O-])cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFEPZEYWCJANHJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Oc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AREZNCHVHVZPHY-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc(C(C)C)cc2-c2ccsc2S(=O)(=O)NCCNC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZEIXAJBCDPKOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Oc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYUMMFTKXVWIT-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cc(C)ccc2-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJZMEMJCMHQGS-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Oc2ccc(O)c(O)c2)c(-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAPOCLCKPLCQX-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Oc2ccc(O)c(O)c2)c(-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cc(Cl)cc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJIOOOYIJVZERM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=S)Nc2cccc([N+](=O)[O-])c2)c(Oc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCDMZAOEGXOBKY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cccc([N+](=O)[O-])c2)c(Oc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKIDWAYZIIVKHW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=S)Nc2ccc([N+](=O)[O-])cc2)c(Oc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLRTWULLAABEFX-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)NCCNS(=O)(=O)c2sccc2-c2ccc(C)cc2Oc2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZLSUROOUCEFD-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2ccsc2S(=O)(=O)N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDFXLVSAPRQJO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NC(=S)N2CCN(S(=O)(=O)c3sccc3-c3ccccc3Oc3ccc(O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJNUOKBVMTYEX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2sccc2-c2ccccc2Oc2ccc(O)c(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIVFIJXGFKRSI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2sccc2-c2ccccc2Oc2ccc(O)c(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLDYLKOSSQGBH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1sccc1-c1ccccc1Oc1ccc(O)c(O)c1)N1CCN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCIKYFCGXQYME-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2ccc(O)c(O)c2)c(-c2ccsc2S(=O)(=O)N2CCN(C(=S)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTZPRDTIPFZEK-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccccc2-c2ccsc2S(=O)(=O)N2CCN(C(=S)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDLBIRSXGCXIC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2sccc2-c2ccccc2Oc2ccc(O)c(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOQZAGJVGQHBJZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccccc2-c2ccsc2S(=O)(=O)N2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMJWORVKYVGDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccccc2-c2ccsc2S(=O)(=O)N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYXFYQNLNJOQB-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2ccsc2S(=O)(=O)N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFGNYJVGZUMIGE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2sccc2-c2ccccc2Oc2ccc(O)c(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGWJXPXXLTKDO-UHFFFAOYSA-N", "SMILES:Cc1c(-c2c(-c3ccc(F)o3)sc3cccc(OC(Cc4ccccc4OCc4ccnn4CC(F)(F)F)C(=O)O)c23)ccc(OCCN2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTFAIFQJDQCNJT-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCN(c2cc(C(=O)O)c4ccn(C)c4c2)C3=O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLMKXCUURSYGS-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVBXJORAJZCMT-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)NCc2ccc(C(=O)N3CCN(Cc4ccccc4-c4ccccc4)CC3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPJBTMRYKRTFG-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccccc2O)cc(Cl)c1Cl"], "chembl_natural_product": true}
{"name": "Induced myeloid leukemia cell differentiation protein Mcl-1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5768"], "id": "UniProtKB:P97287", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVHOYYZVAEGDX-VISRUDLRSA-N", "SMILES:C/C=C(\\C)C(=O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4464303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNDBGWYPOYJCKZ-FJCIJDQSSA-N", "SMILES:COc1nc(C/C=C(\\C)C/C=C/C(C)=C/[C@@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/CO)c(C)c(O)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4553875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONDJAWAPNLRFQC-JGJOBCILSA-N", "SMILES:C/C=C(\\C)[C@H](O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5070835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHRNMJSKKQHLKT-OAHLLOKOSA-N", "SMILES:O=C1NC2(CC2)COc2ncc(F)cc2[C@H]2CNCCN2c2ccn3ncc1c3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZFBMAHLWQSBF-OAHLLOKOSA-N", "SMILES:O=C1NC2(CC2)COc2ncc(F)cc2[C@H]2COCCN2c2ccn3ncc1c3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUOOWFKJQHKXHK-MRXNPFEDSA-N", "SMILES:O=C1NC2(CC2)COc2ncc(F)cc2[C@H]2CCCCN2c2ccn3ncc1c3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEOKFUUKVIUZBC-NXEZZACHSA-N", "SMILES:C[C@H]1NC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBVBLVGPBGBPS-BMTQXLHTSA-N", "SMILES:C[C@@H]1COc2ncc(F)cc2C23CC2CCN3c2ccn3ncc(c3n2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL128135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIKITZBTDSAJQH-ZEQRLZLVSA-N", "SMILES:O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHSWGVYDDDLDDL-NTETXRHWSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2OC1O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRCIXVITURBMMP-DQEYMECFSA-N", "SMILES:COc1ccccc1C[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NCC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFKVTZZRHCRHD-XAWUTYGVSA-N", "SMILES:COc1ccc2c(c1)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFWZVGXIRYNTPC-XAWUTYGVSA-N", "SMILES:Cc1ccc2c(c1)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLCVZDWKTBUIEE-NTETXRHWSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2cc(Cl)ccc2OC1O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTCEJXHRVPVJY-NTETXRHWSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2cc(F)ccc2OC1O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USAVTLIPWBYPKG-ZDNIZFJCSA-N", "SMILES:COC(=O)c1ccc2c(c1)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUMLVPVZNAMULE-GOTSBHOMSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJWZWFQUGNBOOP-ZXTYOHMPSA-N", "SMILES:CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2Cc3ccccc3OC2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBGMAKZODNNHNQ-NTETXRHWSA-N", "SMILES:CC(=O)OC1Oc2ccccc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSPJKSSTGDXWAL-GSDHBNRESA-N", "SMILES:CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)Cc1ccc[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL288365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJWUIDLGZAXID-HOCLYGCPSA-N", "SMILES:CC(C)C[C@@H](C=O)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBFDUMDBYXSXQL-BRSBDYLESA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1C[C@H]1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTXLMXITFPPQX-UHFFFAOYSA-N", "SMILES:CC1CCCCC1NC(=O)NCCCc1nnc(C2CC2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYZYRFUWOYTGJA-IXKZDAGASA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGQKVJVZLVGIE-MQRRDULVSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGQKVJVZLVGIE-YTAGXALCSA-N", "SMILES:CN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGQKVJVZLVGIE-IXKZDAGASA-N", "SMILES:CN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGQKVJVZLVGIE-XZNQUXSGSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKCXKVATSZRKFH-SPIQOUAPSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBOIADDVPDKMAV-YVQQOERGSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAXHFZCIJBMAN-APCKHSOHSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOZMHIJABUOUSN-ORMVGFHCSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)CF)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3682418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJCYRVBDASIDX-DEOSSOPVSA-N", "SMILES:CN(C)c1ccc2cc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc3ccccc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNWAHWHLJSHOPJ-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)C(=S)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKINUABSMFUOD-UHFFFAOYSA-N", "SMILES:CCN(C(=S)NCCCn1cncc1C)c1ccc(OCCCCc2ccnc(N)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPHEANOOLFRLN-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=S)N(CCCn2cncc2C)C(C)C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFHBOFZCKBUPD-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=S)NCCCn2cncc2C)C2CCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORVVWGLVFPVCB-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=S)NCCCn2cncc2C)C2CCCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGGDUHOLKMQEPM-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=S)NCCCn2cncc2C)C2CCCCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPREWPFLKDMAX-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHXFVGPHHDRRI-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)C(=O)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAHSKGDYCBBMSB-UHFFFAOYSA-N", "SMILES:CCN(C(=O)NCCCn1cncc1C)c1ccc(OCCCCc2ccnc(N)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOKSDEAUNWURET-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C(C)C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUIJTCXCZKXNLG-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLLMYMHWUMOEW-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCHPALIQSDJFI-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAWJGMFRBSMJM-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCCCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJSCTJSZPZCLH-UHFFFAOYSA-N", "SMILES:COc1cc(N(CC2CCCC2)C(=O)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YABURFQNGXWSGW-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCN(C)CC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRKIMAEMZNCDY-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)c2ccccc2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNECXTQFTCGMIA-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccccc2)C(=O)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFXHCXSENQANJ-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccc(F)cc2)C(=O)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFYMVJVHSCTKR-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)(C)C(=O)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJIZWVBTQRLZJU-UHFFFAOYSA-N", "SMILES:COc1cc(C2(C(=O)NCCCn3cncc3C)CC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMAGQUSHNSSHLX-UHFFFAOYSA-N", "SMILES:COc1cc(C2(C(=O)NCCCn3cncc3C)CCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLHLQJDPCZKPI-UHFFFAOYSA-N", "SMILES:COc1cc(C2(C(=O)NCCCn3cncc3C)CCCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWHYAPTPBPUTB-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NCCCn2cncc2C)ccc1OCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYKCLDESJOPSX-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NCCCn2cncc2C)ccc1OCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDGYLSXSLVVNW-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NCCCn2cncc2C)ccc1OCCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHJQVMNHAPXEG-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCCCC2)ccc1OCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVXTFZDGQLVBZ-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCCCC2)ccc1OCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWGBJHFJQWOPBH-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCCCC2)ccc1OCCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFAXVTYYGUPAHZ-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCN(C)CC2)ccc1OCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYZFOVMNASBMR-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCN(C)CC2)ccc1OCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPDYRQOMDMIUJS-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCN(C)CC2)ccc1OCCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUIISFSGCSVND-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccc(F)cc2)C(=O)NCCCn2cncc2C)ccc1OCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMQQKTCFTVTIDJ-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccc(F)cc2)C(=O)NCCCn2cncc2C)ccc1OCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDERQWVPYXWOOZ-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccc(F)cc2)C(=O)NCCCn2cncc2C)ccc1OCCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQASEVEZVLUCB-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2cccnc2)C(=O)NCCCn2cncc2C)ccc1OCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYMIJZOPHHUKOF-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2cccnc2)C(=O)NCCCn2cncc2C)ccc1OCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEUZVWVRNPUKRO-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2cccnc2)C(=O)NCCCn2cncc2C)ccc1OCCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKQQSMYYXNDQLF-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NCCCn2cncc2C)ccc1OCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXULTEQZCCVSNH-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCCCC2)ccc1OCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXVBQYXNBNAIG-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCN(C)CC2)ccc1OCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKZRRWYCXYRLZ-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccc(F)cc2)C(=O)NCCCn2cncc2C)ccc1OCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVSNJFGPSIENS-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NCCCn2cncc2C)ccc1OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHEBPTIOTOKLKK-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)C(=O)NCCCn2cncc2C)ccc1OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYMYCSITWPLIL-UHFFFAOYSA-N", "SMILES:CCN(C(=O)NCCCn1cncc1C)c1ccc(OCCN2CCNCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOHBYQJVFDQAF-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C(C)C)ccc1OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZTWYBYRAYGDJ-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCCCC2)ccc1OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHGAADMBFNIRHL-UHFFFAOYSA-N", "SMILES:COc1cc(N(CC2CCCC2)C(=O)NCCCn2cncc2C)ccc1OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLIBSZXIBVXGBK-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCN(C)CC2)ccc1OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCAAZSLFWPUBJ-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)c2ccccc2)ccc1OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFSEXRCNUTFQH-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccc(F)cc2)C(=O)NCCCn2cncc2C)ccc1OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKBTOXXKJPPAO-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2cccnc2)C(=O)NCCCn2cncc2C)ccc1OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYARPQNYBCLWKC-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NCCCn2cncc2C)ccc1OCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRULLPVKCSWFJO-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C(C)C)ccc1OCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOISWXOUIDICBG-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCCCC2)ccc1OCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBKQNVPWLNVAHU-UHFFFAOYSA-N", "SMILES:COc1cc(N(CC2CCCC2)C(=O)NCCCn2cncc2C)ccc1OCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOICWNHLNPKCLH-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCN(C)CC2)ccc1OCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXKYSVZJAVEBAK-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccc(F)cc2)C(=O)NCCCn2cncc2C)ccc1OCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKLIORTIHVCKO-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2cccnc2)C(=O)NCCCn2cncc2C)ccc1OCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGJBTDGUSUPSJ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NCCCn2cncc2C)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBBNJYQSTSLSIP-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)C(=O)NCCCn2cncc2C)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRIRNAOACLZRA-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C(C)C)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCUWLVQHDCCLO-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCCCC2)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVTOUNXWAFKVHI-UHFFFAOYSA-N", "SMILES:COc1cc(N(CC2CCCC2)C(=O)NCCCn2cncc2C)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHNIONCAPBGNPG-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCCCn2cncc2C)C2CCN(C)CC2)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXPJPKDJDIQCW-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccc(F)cc2)C(=O)NCCCn2cncc2C)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWJLMCRBQDQJAJ-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2cccnc2)C(=O)NCCCn2cncc2C)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMOTXQAXIHZEQ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NCc2ccc3[nH]cnc3c2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJVGLAIMVSOBK-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)C(=O)NCc2ccc3[nH]cnc3c2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASBFXPZADASBD-UHFFFAOYSA-N", "SMILES:CCN(C(=O)NCc1ccc2[nH]cnc2c1)c1ccc(OCCCCc2ccnc(N)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTHUDQKYIYTIE-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCc2ccc3[nH]cnc3c2)C(C)C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUDFKZLLCOWPT-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCc2ccc3[nH]cnc3c2)C2CCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDUPYSKCSMJFGC-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCc2ccc3[nH]cnc3c2)C2CCCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFLQHGRYMJDKY-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCc2ccc3[nH]cnc3c2)C2CCCCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHWPPCOWHBPSRV-UHFFFAOYSA-N", "SMILES:COc1cc(N(CC2CCCC2)C(=O)NCc2ccc3[nH]cnc3c2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFJFOFIMXCEXDH-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCc2ccc3[nH]cnc3c2)C2CCNCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAVPTEGGRHPKOR-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)NCc2ccc3[nH]cnc3c2)C2CCN(C)CC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRCCAHKVHWFQO-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccccc2)C(=O)NCc2ccc3[nH]cnc3c2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEYSIGCUZWNKQR-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2ccc(F)cc2)C(=O)NCc2ccc3[nH]cnc3c2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZXXQOVOMGSSZ-UHFFFAOYSA-N", "SMILES:COc1cc(N(Cc2cccnc2)C(=O)NCc2ccc3[nH]cnc3c2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHOMRNFNLHYBK-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)(C)C(=O)NCc2ccc3[nH]cnc3c2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSUKVNMCOALXOQ-UHFFFAOYSA-N", "SMILES:COc1cc(C2(C(=O)NCc3ccc4[nH]cnc4c3)CC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQOYFSOUQKWLR-UHFFFAOYSA-N", "SMILES:COc1cc(C2(C(=O)NCc3ccc4[nH]cnc4c3)CCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOOLZYIXOJUTEA-UHFFFAOYSA-N", "SMILES:COc1cc(C2(C(=O)NCc3ccc4[nH]cnc4c3)CCCC2)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTMAWUKURFAAB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)NCCCn2cncc2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONFSXMNDBXNOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(SCc2nnc(-c3ccc4[nH]cnc4c3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIKZWOEFZENIX-SFHVURJKSA-N", "SMILES:CCCOc1ccc([C@@H]2CNC(=O)N2c2ccc3nc[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLQJZRXGKCXRX-UHFFFAOYSA-N", "SMILES:Cc1cn(CCCNc2ccccc2-c2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJIAMIPUWJQSPR-UHFFFAOYSA-N", "SMILES:Cn1cnnc1C1CCN(c2ncccc2-c2ccc(F)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXSPRKSPXIWEHE-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NCCCn2cncc2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXAZSKBTKUGBLI-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPGHWMCXHFPCU-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=S)NCCCn2cncc2C)C2CCN(C)CC2)cc1OC"]}
{"name": "Glutaminyl-peptide cyclotransferase-like protein", "xref": ["CHEMBL.TARGET:CHEMBL3638349"], "id": "UniProtKB:Q9NXS2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutaminyl-peptide cyclotransferase", "xref": ["CHEMBL.TARGET:CHEMBL4105900"], "id": "UniProtKB:Q9CYK2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIXJPAIZADICN-CZNDPXEESA-N", "SMILES:COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC(=O)c1ccc(F)c(NC(=O)c3cc(OC)c(OC)c(OC)c3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIXJPAIZADICN-JHOUSYSJSA-N", "SMILES:COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(F)c(NC(=O)c3cc(OC)c(OC)c(OC)c3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUJRUVNUQLCDT-KKFHFHRHSA-N", "SMILES:N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"name": "Tyrosinase", "xref": ["CHEMBL.TARGET:CHEMBL4295634"], "id": "UniProtKB:B2ZB02", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1404"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSZYVXRTYQVSAC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABZPWFOALFERZ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUIUQDWGFDKFO-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(CC)N1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAYOEOGYMYOHF-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQDLHGVUSMQXRX-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(CCc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOLRHFDOHAEBAK-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(CCCc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEOXOZLABUTHRD-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccc(C)cc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQDMGQMJAZRNFB-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccc(F)cc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQDYRTNFTAWVBM-UHFFFAOYSA-N", "SMILES:CC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOAYMNOTRLZRO-UHFFFAOYSA-N", "SMILES:CCCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTKMHKNHXDJIO-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZPHSIDTNPZMSV-UHFFFAOYSA-N", "SMILES:COCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAHOFHOQVOSTQY-UHFFFAOYSA-N", "SMILES:CC(CN(C(=O)c1ccco1)c1ccccc1)N1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKMGINAGUXDWSI-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBAFLJKJSZMKSK-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJHWREIVHOZUEI-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMWVKRRQVYKRH-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJGTPKYUIQBLY-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZOTVCOMMCPBKG-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOLVNRBABLWBMS-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccccc1)CC(C)N1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFWUAASEYTEBG-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccco1)CC(C)N1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFXDKMDNUWKJU-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFZQHKAYQNFFSA-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)C1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABZPWFOALFERZ-FQEVSTJZSA-N", "SMILES:CCC(=O)N(C[C@H](C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABZPWFOALFERZ-HXUWFJFHSA-N", "SMILES:CCC(=O)N(C[C@@H](C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDYBSIXZCQMSLP-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONISSAOSIYQPPR-UHFFFAOYSA-N", "SMILES:CCN(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQYFQXOQIPBSLE-QQBIERJPSA-N", "SMILES:C=C[C@@]1(C)CC[C@]2(C)C3=C(CC[C@H]2C1)[C@](O)(CO)[C@@H](O)[C@H](Cl)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFZDVNIYORHNKG-SPHZRBFLSA-N", "SMILES:C=C[C@@]1(C)CC[C@]2(C)C3C[C@H]4C=C(CO)[C@]3(CC[C@H]2C1)C(OC)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMJTWJMLCWTFDW-XBFZALEUSA-N", "SMILES:C=C[C@@]1(C)CC[C@]2(C)C3C[C@H]4C=C(C=O)[C@]3(CC[C@H]2C1)C(O)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRMFTMNJQBRDV-XLXYOEISSA-N", "SMILES:C=C[C@@]1(C)CC[C@@]2(C)[C@@H](CC[C@]34COC(=O)[C@@H]3C[C@H](O)C[C@H]24)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQLIQZCYJPPOO-GOSISDBHSA-N", "SMILES:Cn1cc(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSCBTVAYMDWDTL-GOSISDBHSA-N", "SMILES:Cn1cc(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4OCC(F)F)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPAKQPANQHIDII-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(C)c3)c2n1)c1cc(F)ccc1OCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYWAMONQPZXXDB-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYSJRBNZOUNUBJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(C(O)c3ccccc3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBVDKYCHKBUSK-AWEZNQCLSA-N", "SMILES:Cc1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKXKMROLUPKRL-INIZCTEOSA-N", "SMILES:CC(C)c1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCTWLEJGLMBXCM-HNNXBMFYSA-N", "SMILES:CO[C@@H](c1ccc(C)cc1)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVZNGPPPFPTWEL-KRWDZBQOSA-N", "SMILES:CO[C@@H](c1ccc(C(C)C)cc1)c1nc2ccc(C(=O)O)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXSNPORUZKDLF-SFHVURJKSA-N", "SMILES:CO[C@@H](c1ccc2ccccc2c1)c1nc2ccc(C(=O)O)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYAGQWPYMHPLMR-FQEVSTJZSA-N", "SMILES:CO[C@@H](c1ccc(-c2ccccc2)cc1)c1nc2ccc(C(=O)O)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXEGZURWZZHACR-UHFFFAOYSA-N", "SMILES:COCCOCn1c(S(C)(=O)=O)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCBGPCYGBPHBR-ZESVGKPKSA-N", "SMILES:CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZAHCDUXVQHDG-RORJQOJNSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)OC)NC(=O)[C@@H]3CC/C=C/COc4cccc(c4)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(c4)CSCCNC(=O)[C@]4(C)CCCN4C2=O)C(=O)N[C@@H](Cc2c[nH]c4ccc(F)cc24)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZAHCDUXVQHDG-JMKZTACGSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)OC)NC(=O)[C@@H]3CC/C=C\\COc4cccc(c4)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(c4)CSCCNC(=O)[C@]4(C)CCCN4C2=O)C(=O)N[C@@H](Cc2c[nH]c4ccc(F)cc24)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CETIBYSEEVJRNF-KCUILIDKSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)OC)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(c3)C/C=C/CO4)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CETIBYSEEVJRNF-CMJAAJBLSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)OC)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(c3)C/C=C\\CO4)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUNOYKIQPHQPH-IOTFQGMFSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(c3)C/C=C/CO4)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUNOYKIQPHQPH-IGMVJGOYSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(c3)C/C=C\\CO4)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQMIXSJDXKLPAH-NLUISRPLSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)OC)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(c3)CCCCO4)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPIWXACHUBZCIA-FNQCIGKQSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@H](C)OC)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(c3)C/C=C/CO4)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPIWXACHUBZCIA-HOVLMQMBSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@H](C)OC)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(c3)C/C=C\\CO4)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVSLVJJBHQNIP-RXQBUEITSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)OC)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(c3)C/C=C/CO4)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVSLVJJBHQNIP-KRVBXEOQSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)OC)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(c3)C/C=C\\CO4)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(c3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVACSMXOECADHD-ONETYKQFSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(c6ccc(F)cc56)Cc5cn(nn5)-c5cc(cc(c5)CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc5cccc(c5)C/C=C/CO4)C(=O)N3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVACSMXOECADHD-QDJROBCVSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(c6ccc(F)cc56)Cc5cn(nn5)-c5cc(cc(c5)CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc5cccc(c5)C/C=C\\CO4)C(=O)N3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLOQGEFMLDETDX-MQCRZNPVSA-O", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(c6ccc(F)cc56)Cc5cn(nn5)-c5cc(cc(c5)CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc5cccc(c5)C/C=C/CO4)C(=O)N3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLOOASDFBYIJAG-FILUIVIOSA-O", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(c6ccc(F)cc56)Cc5cn(nn5)-c5cc(cc(c5)CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc5cccc(c5)C/C=C/CO4)C(=O)N3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHUWSCFNOUPCN-PRFVQGLSSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(c6ccc(F)cc56)Cc5cn(nn5)-c5cc(cc(c5)CSCCC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)CCOCCOCCNC(=O)CCCC[C@@H]5SC[C@H]6NC(=O)N[C@@H]56)C(=O)N[C@@H](Cc5cccc(c5)C/C=C/CO4)C(=O)N3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLYZMOOGEULHRL-UNLOAGHFSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(c6ccc(F)cc56)Cc5cn(nn5)-c5cc(cc(c5)CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCCN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc5cccc(c5)C/C=C/CO4)C(=O)N3)CSCCNC(=O)[C@]3(C)CCCN3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRCZUXUJTVDIM-ROUUACIJSA-N", "SMILES:Cc1nc(-c2nnn(C)c2COC(=O)N(C)CC2CCC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087506", "category": ["biolink:ChemicalEntity"], "name": "ADMILPARANT", "xref": ["InChIKey:UEUNDURNLYLSNB-HOTGVXAUSA-N", "SMILES:CCCN(C)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)c(C)n2)nnn1C"], "synonym": ["Admilparant", "Admilparant", "Admilparant", "Admilparant", "Bms-986278", "BMS-986,278", "BMS-986278", "BMS986278", "Admilparant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWPDTJHUTFTCJO-QGZVFWFLSA-N", "SMILES:Cc1noc(-c2ccc(Oc3ccc(C(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCWWEMOJCOTFEI-AGHHOFFYSA-N", "SMILES:Cc1noc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cc2)c1NC(=O)O[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCWWEMOJCOTFEI-ZNLUXHQJSA-N", "SMILES:Cc1noc(-c2ccc(O[C@H]3CCC[C@@H](C(=O)O)C3)cc2)c1NC(=O)O[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDAPTNDJPXXEAV-ICSRJNTNSA-N", "SMILES:Cc1noc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cc2)c1CNC(=O)OCCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNGFDHSYZIJHLD-UNMCSNQZSA-N", "SMILES:Cc1noc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cc2)c1CNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTMIIRSIYTYXKA-FPOVZHCZSA-N", "SMILES:Cc1noc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cc2)c1COC(=O)N(C)CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAUMNKSTJNPCED-RXVVDRJESA-N", "SMILES:Cc1noc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cc2)c1COC(=O)N(C)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAUMNKSTJNPCED-WIYYLYMNSA-N", "SMILES:Cc1noc(-c2ccc(O[C@@H]3CCC[C@@H](C(=O)O)C3)cc2)c1COC(=O)N(C)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEYFXSRYGODFX-IRXDYDNUSA-N", "SMILES:CCCCN(C)C(=O)OCc1c(C)noc1-c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZZRBRHPNUFAG-WMZOPIPTSA-N", "SMILES:Cc1noc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cn2)c1COC(=O)N(C)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHRVAMNHLVRHGD-RXVVDRJESA-N", "SMILES:CN(C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cc2)cnn1C)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPWLJQIRHVUDM-ROUUACIJSA-N", "SMILES:Cc1nc(-c2cnn(C)c2COC(=O)N(C)CC2CCC2)cnc1O[C@H]1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWRZJVBWGIBNND-PXNSSMCTSA-N", "SMILES:CN(C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cc2)nnn1C)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XICUIWSZMRZTNH-HKUYNNGSSA-N", "SMILES:CCCCN(C)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cc2)nnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZOZLFADEYSGEP-ICSRJNTNSA-N", "SMILES:CN(CC1CCC1)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cc2)nnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKVGZFHVJITFJ-ICSRJNTNSA-N", "SMILES:CC(C)CCN(C)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cc2)nnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEIXSZGPXCIGZ-PMACEKPBSA-N", "SMILES:Cc1cc(-c2nnn(C)c2COC(=O)N(C)CCC(C)C)ccc1O[C@H]1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAYGYBFEEAOEMI-IRXDYDNUSA-N", "SMILES:CC(C)CCN(C)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cn2)nnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRLBZAKOBCZNA-RDJZCZTQSA-N", "SMILES:CN(C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cn2)nnn1C)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUWNHHXIJUXZGP-WMZOPIPTSA-N", "SMILES:Cc1nc(-c2nnn(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWYUMPIAXSKPRI-IRXDYDNUSA-N", "SMILES:Cc1nc(-c2nnn(C)c2COC(=O)N(C)CC2CCC2)cnc1O[C@H]1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTOCBSQRYJWRIB-HOTGVXAUSA-N", "SMILES:CCCCN(C)C(=O)OCc1c(-c2ncc(O[C@H]3CCC[C@H](C(=O)O)C3)c(CC)n2)nnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWTUYPLGKHROI-ROUUACIJSA-N", "SMILES:CCc1nc(-c2nnn(C)c2COC(=O)N(C)CC2CCC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYASPYQJFRIGN-HOTGVXAUSA-N", "SMILES:CN(CC1CCC1)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)c(C(F)F)n2)nnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCEMCVOIJRLWQJ-OALUTQOASA-N", "SMILES:Cc1nc(-c2nnn(C)c2COC(=O)N(C)CC2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGUJBSSBNCXEW-IRXDYDNUSA-N", "SMILES:CCCCN(C)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)c(C)n2)nnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHESTUPVKJCBQK-GJZGRUSLSA-N", "SMILES:CCN(C)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)c(C)n2)nnn1C"]}
{"name": "Lysophosphatidic acid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3621025"], "id": "UniProtKB:P61793", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGBNKKSGPOOBU-RDJZCZTQSA-N", "SMILES:Cc1noc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)nn2)c1COC(=O)N(C)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQGAXUPTPWZFGA-OESYFJANSA-N", "SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCc2cn(CCCNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc3cccc(Cl)c3)nn2)C(C)C)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHVSXOWONNEBM-JNCCQOAMSA-N", "SMILES:Fc1ccn([C@H]2C[C@H](c3cc(O[C@H]4C[C@@H](n5cccn5)C4)ncn3)C2)n1"]}
{"name": "Very long chain fatty acid elongase 1", "xref": ["CHEMBL.TARGET:CHEMBL6001"], "id": "UniProtKB:Q9BW60", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZVBCFMPIZPJA-HJBGHLGXSA-N", "SMILES:Fc1cnn([C@H]2C[C@H](c3cc(O[C@H]4C[C@@H](n5cccn5)C4)ncn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDHCVOGSDJIGTN-JNCCQOAMSA-N", "SMILES:Clc1ccn([C@H]2C[C@H](c3cc(O[C@H]4C[C@@H](n5cccn5)C4)ncn3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGNDTQUROAGOLC-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCOc2cc(N3CCCOCC3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXGFJBHPOCYADP-CEXWTWQISA-N", "SMILES:c1ccc([C@H]2CN(c3cc(O[C@H]4C[C@@H](n5cccn5)C4)ncn3)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGAYBIYUOIWNKA-UHFFFAOYSA-N", "SMILES:Cc1ccnn1CCCOc1cc(N2CCCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZEFDHPQJZSULH-UHFFFAOYSA-N", "SMILES:Cc1ccnn1CCCOc1cc(N2CCOC(C(F)(F)F)C2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQINUTWQAXTDS-UHFFFAOYSA-N", "SMILES:Cc1ccnn1CCCOc1cc(N2CCOC(c3ccccc3)C2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJUYMEBMFILZDE-FGTMMUONSA-N", "SMILES:c1ccc([C@H]2CN(c3cc(O[C@H]4C[C@@H](n5ccnn5)C4)ncn3)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQAGCVNOIMWKAC-FGTMMUONSA-N", "SMILES:c1ccc([C@H]2CN(c3cc(O[C@H]4C[C@@H](c5ncco5)C4)ncn3)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSOCDOOECDGJP-IXDOHACOSA-N", "SMILES:c1ccc([C@H]2CN(c3cc(O[C@H]4C[C@@H](c5nnco5)C4)ncn3)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCBRKGWRLYBKK-ZNNBLSDJSA-N", "SMILES:c1cnn([C@H]2C[C@@H](Oc3cc([C@H]4C[C@H](n5cccn5)C4)ncn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGZLNKHFHBAFO-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCOc2cc(N3CCOCC3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASCJRRKWUBNNDJ-BHIFYINESA-N", "SMILES:c1ccc([C@H]2CN(c3cc(O[C@H]4C[C@@H](c5ccccc5)C4)ncn3)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCAPUXQPKSVIS-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(OCCc2ccc(F)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBJBMHOOBQAXAS-UHFFFAOYSA-N", "SMILES:CN(c1cc(OCCc2ccc(F)cc2)ncn1)C1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGYZJBKBFUXDC-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCOc2cc(N3CCCCC3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYBZGIJTIELKM-UHFFFAOYSA-N", "SMILES:Cc1ccnn1CCCOc1cc(N2CCOC3(COC3)C2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPNKVKVBOZASU-UHFFFAOYSA-N", "SMILES:Cc1ccnn1CCOc1cc(N2CCCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRSEBVRAZFZHZ-UHFFFAOYSA-N", "SMILES:Cc1ccnn1CCCOc1cc(N2CCOC(c3ccnn3C)C2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCBRKGWRLYBKK-GEEKYZPCSA-N", "SMILES:c1cnn([C@H]2C[C@@H](Oc3cc([C@H]4C[C@@H](n5cccn5)C4)ncn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJIAKZINYMWQJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCOc2cc(N3CCCCCC3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARJLABYPSISMU-UHFFFAOYSA-N", "SMILES:Cc1ccnn1CCCOc1cc(N2C3COCC2C3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOGKQLWRSYSEEE-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCOc2cc(N3CCCC3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCFKTINJMXLKPM-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCOc2cc(N3CCCCC3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFSLMVMPYSSHX-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCOc2ccc(-c3cccnc3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYTALHFWBAQWAE-ZLWRCJDJSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZJFVUBUJBNKW-ZLWRCJDJSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMGDZRZNVKQGQ-FFTPJAJHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVSHPGBQNYWRM-FFTPJAJHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3344081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVIEZBZIUKYOG-SVFBPWRDSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXDUDQNDKWNBV-BJUSWJRTSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMBHYKAABXGPK-LMGJUQTBSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRHWDSXIBUELI-BJUSWJRTSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMZXYYOAYXMTKR-LMGJUQTBSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAMRJLIOCHJMQ-PYNGZGNASA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQOGZKGXGLHDGS-QQRWPDCKSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWFGHENEZLVBOP-DPSJZEHMSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJCKFIWZHNIKPQ-AYWQWSHZSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTRWCKQNKXISW-PYNGZGNASA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWTFXHWWWKKEQI-QQRWPDCKSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRVWHAZIBGEPEK-DPSJZEHMSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCOCCOC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZLZPTHXIDWXLS-AYWQWSHZSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SASNBVQSOZSTPD-UHFFFAOYSA-N", "SMILES:CNCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL145584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHFGJTVYMNRGBY-UHFFFAOYSA-N", "SMILES:NCCc1cccc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1160785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIVQKHQLANKJQO-UHFFFAOYSA-N", "SMILES:COc1cc(CCN)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1160703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGUCRYDKWKLMG-QMMMGPOBSA-N", "SMILES:NC[C@H](O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1235033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGUCRYDKWKLMG-MRVPVSSYSA-N", "SMILES:NC[C@@H](O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL443893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRCWQPVGYLYSOX-VIFPVBQESA-N", "SMILES:CNC[C@H](O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFLSHLFXELFNJZ-UHFFFAOYSA-N", "SMILES:NCC(O)c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5080235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDDQTDRAHXHOC-MRVPVSSYSA-N", "SMILES:CNC[C@H]1OCCc2ccsc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDDQTDRAHXHOC-UHFFFAOYSA-N", "SMILES:CNCC1OCCc2ccsc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJOMHRUJAVDLSX-JTQLQIEISA-N", "SMILES:CNC[C@]1(C)OCCc2ccsc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVLCKYDYIYWBH-ZETCQYMHSA-N", "SMILES:NC[C@@H]1OCCc2ccsc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMIRSMZJILLWTJ-VIFPVBQESA-N", "SMILES:CN(C)C[C@@H]1OCCc2ccsc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJXTGZOPGGPFU-NSHDSACASA-N", "SMILES:c1cc2c(s1)[C@H](CN1CCCC1)OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXUCWBWBFKYBEM-QMMMGPOBSA-N", "SMILES:NCC[C@@H]1OCCc2ccsc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVFBEFJPQNHHR-UHFFFAOYSA-N", "SMILES:CNCC1OCCCc2ccsc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBDVLCXKJJAMFQ-UHFFFAOYSA-N", "SMILES:NCC1OCCCc2ccsc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSHWRHABHGSQV-UHFFFAOYSA-N", "SMILES:CNCC1OCCc2cscc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOBIRCYOVUUDGG-QMMMGPOBSA-N", "SMILES:CNC[C@@H]1OCCc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLUYXIJZLDNIS-UHFFFAOYSA-N", "SMILES:NCCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANLWIQYRRVBPY-UHFFFAOYSA-N", "SMILES:NCCc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCCHVYRUHHHVFL-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCN(c2cccc(CN3CCN(C(=O)C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c2)C2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZXFUHUZHUMMLU-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CC2CCC(C1)N2c1cccc(OCCN2CCN(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTLOUOROEIRWIF-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CC2CCC(C1)N2c1cccc(OCCN2CCN(CCCC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVNYHGLUTRJGFK-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CC(Oc2cccc(CN3CCN(C(=O)CN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTSERWCVQGCFT-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2cc(F)ccc2O)cc1N1CC2CCC(C1)N2c1cccc(CN2CCN(C(=O)C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZCDIKIONXKJM-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCC(C(=O)N2CCC(C(=O)N3CCN(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXPZXMUNJKFVKB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC2(CC1)CN(C(=O)CN1CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFRURRKCLULAT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCN(C(=O)CC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRAQAOSQFWEBTC-UHFFFAOYSA-N", "SMILES:CC(c1ccc(-c2cn(C)c(=O)c3cc(F)ccc23)cc1OC(F)(F)F)N1CCC(C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRCFTJQWBAGQR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCc2c(CN3CCC(c4ccc(NC5CCC(=O)NC5=O)cc4)C(F)(F)C3)csc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJKOQDVPWTSPY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CCC(N2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXULQNINGJQBF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3cnccc23)c(Cl)cc1CN1CCC(N2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXCMYZIMLJRHD-MLUOZVFJSA-N", "SMILES:Cc1ccc2c(n1)CCCCCn1c(-c3nc4cc(C(=O)N5C[C@H](N)[C@@H]6CC[C@H]5C6)cc(F)c4n3C3CC3)cc3ccc(nc31)C(C)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEBWDQKWFGMXJE-JJRALNOCSA-N", "SMILES:CC1NC(=O)[C@@H]2C[C@@]2(F)CCCC(F)(F)Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)[C@H]5C)cc(F)c4n3C3CC3)cc3ccc1nc32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVDOJGKFRPGAMA-XOAKMBAOSA-N", "SMILES:COc1cc(C(=O)N2C[C@H](N)[C@@H]3CC[C@H]2C3)cc2nc(-c3cc4ccc5nc4n3CCCCCC3[C@H](C(=O)NC5C)C3(F)F)n(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPHDOGEBPEBJL-BWRKVPRGSA-N", "SMILES:[2H]C1([2H])[C@H](N)[C@@H]2CC[C@@H](C2)N1C(=O)c1cc(OC)c2c(c1)nc(-c1cc3ccc4nc3n1CCCCCc1ccccc1C(=O)NC4C)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXWKQQADEORQKB-TZFJXLEPSA-N", "SMILES:CC1NC(=O)c2cc3sccc3nc2CCCCCn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)[C@H]5C)cc(F)c4n3C3CC3)cc3ccc1nc32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSRIRFYXGRVHIQ-NHFPRBITSA-N", "SMILES:CC1NC(=O)[C@@H]2CC2CCCC(F)(F)Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)[C@H]5C)cc(Cl)c4n3C3CC3)cc3ccc1nc32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRBUPKEYPDQGD-LJQANCHMSA-N", "SMILES:Cc1cnc2c(-c3ccc(C(=O)N(c4ncccc4C)[C@@H]4CCCNC4)cc3F)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4107804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPKFNINHTCLDAF-HXUWFJFHSA-N", "SMILES:Cc1cccnc1N(C(=O)c1ccc(-c2cnn3cccnc23)cc1)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4108330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDRAMRAAPSBWGS-LJQANCHMSA-N", "SMILES:COC(=O)c1c(-c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIVNRJIBSORLDO-QGZVFWFLSA-N", "SMILES:CNc1cncc(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZYTRQUCQPGSU-GOSISDBHSA-N", "SMILES:CN(C)c1cncc(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRWWXYPLGSDQJG-GOSISDBHSA-N", "SMILES:Cc1cncc(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4109308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDTXHWQFIXYHCL-QGZVFWFLSA-N", "SMILES:O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCBJOOXWTIJJTO-GOSISDBHSA-N", "SMILES:Cc1ccc2nnn(-c3ccc(C(=O)N(c4ncccc4Cl)[C@@H]4CCCNC4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZJIXNHTVSHQML-GOSISDBHSA-N", "SMILES:Cc1cnc2c(c1)nnn2-c1ccc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4130157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZOPBHFGGXCMCI-JOCHJYFZSA-N", "SMILES:O=C(c1ccc(-c2cnn3cccnc23)cc1)N(c1nccc2ccccc12)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWGQLUHRHKBRA-NSHDSACASA-N", "SMILES:Cc1ccc(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCTUBTRXTQWMDN-QMMMGPOBSA-N", "SMILES:Cc1n[nH]c(C(F)(F)F)c1NC(=O)c1cc(F)c(-c2ccc(Cl)c(N)n2)cc1O[C@@H](C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVJRANNYFMZIY-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1cc(-c2ccc3c(n2)NCCC3)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHTZDUDQEMHWHD-NSHDSACASA-N", "SMILES:C[C@H](Oc1cc(-c2cn(C)c(C(C)(C)O)n2)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGJFEOIKVIQJV-AWEZNQCLSA-N", "SMILES:Cc1ccccc1NC(=O)c1cc(F)c(-c2cn(C)c(C(C)(C)O)n2)cc1O[C@@H](C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGJFEOIKVIQJV-FVELLDLOSA-N", "SMILES:[2H]C([2H])([2H])c1ccccc1NC(=O)c1cc(F)c(-c2cn(C)c(C(C)(C)O)n2)cc1O[C@@H](C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSZJHBFARHUSA-GEZKHSGTSA-N", "SMILES:CN(C(=O)[C@H]1C[C@]2(COC(=O)N2)C1)[C@H]1C[C@@H](c2ccc(C(C)(C)C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAUVVYBHJYFLY-BXCOXIEISA-N", "SMILES:CC(C)c1ccc([C@H]2C[C@@H](N(C)C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFPZUCGUNXGFIO-MZWZYPHZSA-N", "SMILES:CN(C(=O)[C@H]1C[C@]2(COC(=O)N2)C1)[C@H]1C[C@@H](c2ccc(F)c(C(C)(C)C)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLQIZRIYKZPIPE-VPPVLBTASA-N", "SMILES:Cc1cc([C@H]2C[C@@H](N(C)C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)ccc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOZHZTZJAJLWIV-GEZKHSGTSA-N", "SMILES:CN(C(=O)[C@H]1C[C@]2(COC(=O)N2)C1)[C@H]1C[C@@H](c2ccc(C3(C)CC3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGKVXTAHMNCGJL-ZNEYZUKJSA-N", "SMILES:Cc1cc(C2CC2)cc([C@H]2C[C@@H](N(C)C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYBWOOCOUAKFFL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)CCC(=O)NCC(=O)NC(C)(C)C)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVXUAGLTBUQZTR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)CCC(=O)NCC(=O)NC3CCCCC3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTLQJCNIJCPEGF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)CCC(=O)NCC(=O)NCc3ccccc3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQNIFUERZUTDP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)CCC(=O)N(C)CC(=O)NC(C)(C)C)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCBCBFKKVUXAC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)CCC(=O)N(C)CC(=O)NC3CCCCC3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFVYDHGWRCXQR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)CCC(=O)N(C)CC(=O)NCc3ccccc3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGPGELFJRGFLRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)COCC(=O)NCC(=O)NC(C)(C)C)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJVMFLMWOLDEIB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)COCC(=O)NCC(=O)NC3CCCCC3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFHQJXHBBRHRQW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)COCC(=O)NCC(=O)NCc3ccccc3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJDHCZPTASLBSY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)COCC(=O)N(C)CC(=O)NC(C)(C)C)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEJDJKIZLXVBK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)COCC(=O)N(C)CC(=O)NC3CCCCC3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRKTSXIULFMTD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)COCC(=O)N(C)CC(=O)NCc3ccccc3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDUMBCYXZCSRT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSCYLONMCUSQH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)CCC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALBOZGCNYLGAQP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)CCC(=O)N3CCN(CC(=O)NC4CCCCC4)CC3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWZWLDWSFYCQLH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)CCC(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFQQPREKIXIFF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)COCC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONARWIQHPKBIV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)COCC(=O)N3CCN(CC(=O)NC4CCCCC4)CC3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOUMCQXZCZVGEH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)COCC(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJUGBOOQTXGLKA-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273094", "category": ["biolink:ChemicalEntity"], "name": "XANTHINE AMINE CONGENER", "xref": ["InChIKey:FIQGIOAELHTLHM-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKWRNSHNFLXFT-UHFFFAOYSA-N", "SMILES:C#CCN1CCN(c2ccc(Nc3ncc4c(C)cc(=O)n(-c5cccc(NC(=O)C=C)c5)c4n3)c(OC)c2)CC1"]}
{"name": "Mitochondrial antiviral-signaling protein", "xref": ["CHEMBL.TARGET:CHEMBL4523363"], "id": "UniProtKB:Q7Z434", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYUNELULSPXRL-UHFFFAOYSA-N", "SMILES:CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc([N+](=O)[O-])nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYUNELULSPXRL-CQSZACIVSA-N", "SMILES:C[C@]1(COc2ccc(OC(F)(F)F)cc2)CCn2cc([N+](=O)[O-])nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYUNELULSPXRL-AWEZNQCLSA-N", "SMILES:C[C@@]1(COc2ccc(OC(F)(F)F)cc2)CCn2cc([N+](=O)[O-])nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWIINYCHXCGQH-CYBMUJFWSA-N", "SMILES:C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLVGSBXIQFERFK-NBBYSTNSSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGBRAHZCVPDCJI-OLDVANGTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQGGMFLEISWDOL-OLDVANGTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXVOWGRAKBVUPA-NBBYSTNSSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVRUUDHEDPIPR-XKDADYKASA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRNIWNSCQKGDOR-NSJYEVAZSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYCDWQGPHTQSF-NBBYSTNSSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUDLEPKHCVNTK-PJYANRIDSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVGBWDOVWMHZCQ-YVYHQHQGSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1714813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFMUYZWDLSYSX-GFCCVEGCSA-N", "SMILES:COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWBSXDFUWMVHN-UHFFFAOYSA-N", "SMILES:CC(C)c1noc2ncc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLGBZXMOCLUOKZ-QFIPXVFZSA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN(Cc2c[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSDNOVLVOTMJE-GFCCVEGCSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3ccccc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMRIZYACHXKNRP-LLVKDONJSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cccc(S(N)(=O)=O)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWEJNKMEGIGAGY-LLVKDONJSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cccc(C(F)(F)F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDALSIIIRYSTC-LLVKDONJSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cccc(N)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCSYKUAZQWUWGJ-SNVBAGLBSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDHTLSRRHNJAW-SNVBAGLBSA-N", "SMILES:Cc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYCSKVJBUWZJA-SECBINFHSA-N", "SMILES:Cc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc(F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVGXSPYJCPIEBB-SECBINFHSA-N", "SMILES:Cc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUCJMPINNBUTGX-SNVBAGLBSA-N", "SMILES:COc1ccc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL141502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKBXAZQJXDJNFI-RMKNXTFCSA-N", "SMILES:COc1ccc2[nH]cc(CCNCc3ccc(/C=C/C(=O)NO)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYBVTGFAJIQMPF-RUDMXATFSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)c3ccc(/C=C/C(=O)NO)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIOZEWIRWUKCJY-RUDMXATFSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccc(C(=O)NO)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRXRZMRMLGMED-JXMROGBWSA-N", "SMILES:COc1ccc2c(c1)c(CCNC(C)=O)cn2Cc1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSYXNAYVNGVFA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CCNC(C)=O)cn2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYOLHHSKTWYKOU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CCNC(C)=O)cn2CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYNMUDJJUQZAM-UQNWOCKMSA-N", "SMILES:COc1ccc2[nH]cc(CCN(Cc3ccc(/C=C/C(=O)NO)cc3)C(=O)/C=C/c3ccc(O)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSHROJUQKKPJB-WUXMJOGZSA-N", "SMILES:COc1ccc2[nH]cc(CCN(Cc3ccc(C(=O)NO)cc3)C(=O)/C=C/c3ccc(O)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEYVVOZDHAFOS-XYOKQWHBSA-N", "SMILES:COc1ccc2[nH]cc(CCN(CCCCCC(=O)NO)C(=O)/C=C/c3ccc(O)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQKFKPGLYDZMJ-UQNWOCKMSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CN(Cc3ccc(/C=C/C(=O)NO)cc3)C(=O)/C=C/c3ccc(O)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQWOADPHKHJFSX-XYOKQWHBSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCC(=O)NO)C(=O)/C=C/c3ccc(O)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFJQXAJSOJDIH-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)c3ccc(C(=O)NO)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXOXPVUEIHNEC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNCc3ccc(C(=O)NO)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEHAPNUVJXSXGZ-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccc2)c2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBDQYGLNMYNTP-UHFFFAOYSA-N", "SMILES:CCOc1nc(N(C)C)nc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKAYYQLPXUEKJ-UHFFFAOYSA-N", "SMILES:CCOc1nc(N(C)C)nc(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSCYGQFCBQYCTA-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(=O)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOCZQUJOOIAZJA-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWKICAJPTYOCY-UHFFFAOYSA-N", "SMILES:CCN(C)c1nc(=O)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYFJYINWPDGJB-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1nc(=O)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFFUYXPTSJXJC-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCCC2)c2ccc(Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJUPLHZGJRGAI-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCCCC2)c2ccc(Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLNNEBMMCBPLSH-UHFFFAOYSA-N", "SMILES:NC1CCN(c2nc(=O)[nH]c3cc(Cl)ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSUASDAMPUYJJ-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(=O)n(C)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRUQGUWEHZXSI-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(=O)n(CCO)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOKQZQOMKANKF-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(=O)n(C2CC2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLJEYLWRAPHBL-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQCXBTFANPRPTE-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2c(=O)nc(N(C)C)c3ccc(Cl)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUMRTFCOIMEKCL-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(=O)n(-c2ccccn2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOENMGQGTQAHPW-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(=O)n(-c2cccnc2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMSBLTPKMWVNEW-UHFFFAOYSA-N", "SMILES:CCN(C)c1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFOSOYYKBITPCA-UHFFFAOYSA-N", "SMILES:CCN(C)c1nc(=O)n(-c2cccnc2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMINTBDNKGRFK-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nc(NC3CCCCC3)c3c(C#N)c[nH]c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKQAXDJAARNRZ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOHMGKJWMIIPRA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NC2CCCCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODLRZUVVNBKHMA-UHFFFAOYSA-N", "SMILES:CCOc1cc(N2CCCC2=O)ccc1Nc1nc(NC2CCCCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTCRXFKEGCMPW-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2nc(Nc3ccc(N4CCCC4=O)cc3)nc(NC3CCCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVZRFUVSWZTAK-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2nc(Nc3ccc(N4CCCC4=O)cn3)nc(NC3CCCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTOAHYKOTDJNCI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2=O)ccc1Nc1nc(NC2CCCCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFMYHGKAKDXMX-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NC2CCCCC2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCWJGQXNCKWHM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NC2CCCCC2)c2c(C(F)(F)F)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKLXBDJXKFVHG-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAGMDPBVGAKMC-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2c(Cl)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDGZZDPLBXSAJ-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2c(C(F)(F)F)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBTUTZGYGGLCO-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc(N3CCCC3=O)cc2OC)nc2[nH]cc(C#N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAKBCSHDTYNNTK-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NC(C)C)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQXHVOWYDSYSV-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NCC(C)C)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXUMGRUQAVJYAW-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(Nc2ccc(N3CCCC3=O)cc2OC)nc2[nH]cc(C#N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKUHIPLRIQUJS-ZDUSSCGKSA-N", "SMILES:CC[C@H](C)Nc1nc(Nc2ccc(N3CCCC3=O)cc2OC)nc2[nH]cc(C#N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFDZXULGVSTOQZ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NC2CCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCSBEAKTWCSNMA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NC2CCCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNKLHYRRCIPKBF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NCC2CCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSAANGZUJMNOIE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NCC(C)(C)C)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTNJDLDWXMVRF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NCC2CCCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWFABNCTSLCNY-UHFFFAOYSA-N", "SMILES:COCC(C)(C)Nc1nc(Nc2ccc(N3CCCC3=O)cc2OC)nc2[nH]cc(C#N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWQWEYUZUSIHAO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCC2=O)ccc1Nc1nc(NC2CCOCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFIRPJHDWPZBI-CGSFZAOMSA-N", "SMILES:Cc1cc(-c2cnn3c(NC[C@H]4C[C@@](C)(O)C4)cc(Oc4ccccn4)cc23)ccc1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXRRQSFEUOECSR-UHFFFAOYSA-N", "SMILES:CC12CC3CC(NC(=S)Nc4ccc(C(F)(F)F)cc4)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVUQDVOFGLGQHX-UHFFFAOYSA-N", "SMILES:CC12CC3CC(NC(=O)Nc4ccc(F)c(F)c4F)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTRDVTYNTWWEEG-UHFFFAOYSA-N", "SMILES:CC12CC3CC(NC(=O)Nc4ccc(F)c(F)c4F)(CC(C1)c1ccccc13)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKNYSRFEVZNRL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSURZCUAPDLND-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQKXHKEINKVMR-XHGGZPDSSA-N", "SMILES:CC12CC3CC(NC(=O)N[C@H]4CC[C@H](Oc5ccc(C(=O)O)cc5)CC4)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOISGJAFPOQKLB-ZDQKIBCQSA-N", "SMILES:CC12CC3CC(NC(=O)N[C@H]4CC[C@H](Oc5ccc(C(=O)O)cc5)CC4)(CC(C1)c1ccccc13)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMDYCVFIANAQPV-ZDQKIBCQSA-N", "SMILES:O=C(NC12CC3CC(Cl)(CC(C1)c1ccccc13)C2)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBDCJZQWPLMRSY-ZDQKIBCQSA-N", "SMILES:O=C(NC12CC3CC(F)(CC(C1)c1ccccc13)C2)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOMGEPWQSQCOU-UHFFFAOYSA-N", "SMILES:CN(C)c1noc(-c2cccc(CNc3ccc4[nH]cc(C(=O)O)c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVXXASDGUYYNY-UHFFFAOYSA-N", "SMILES:CN(C)c1noc(-c2cccc(CNc3ccc4[nH]nc(C(N)=O)c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLRTFDRQYCWSW-UHFFFAOYSA-N", "SMILES:CN(C)c1noc(-c2cccc(CNc3ccc4[nH]ncc4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFNTDYKERMDQJ-UHFFFAOYSA-N", "SMILES:CN(C)c1noc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTXYILKBOUVQS-UHFFFAOYSA-N", "SMILES:O=C(O)c1n[nH]c2ccc(NCc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRQOZEFVRSPYNU-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNc2ccc3[nH]nc(C(=O)O)c3c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLVERXJEHLKIL-UHFFFAOYSA-N", "SMILES:COC(=O)c1n[nH]c2ccc(NCc3cccc(-c4nc(N(C)C)no4)c3O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHFJPNWVKVXNEI-UHFFFAOYSA-N", "SMILES:CN(C)c1noc(-c2cccc(CNc3ccc4c(c3)c(C(=O)O)nn4C)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VALJPGUWOXMCFA-UHFFFAOYSA-N", "SMILES:COc1c(CNc2ccc3[nH]nc(C(=O)O)c3c2)cccc1-c1nc(N(C)C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBCOFPKIEUJIJT-UHFFFAOYSA-N", "SMILES:CN(C)c1noc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRQKWURUNHJHDG-UHFFFAOYSA-N", "SMILES:CN(C)c1noc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJLZOOTVNDIQEF-UHFFFAOYSA-N", "SMILES:CN(C)c1noc(-c2cccc(CN(C)c3ccc4[nH]nc(C(=O)O)c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCFSMUTNGAFGW-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKOUNOMMFZAGFW-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUXSOXOIOMUQHM-UHFFFAOYSA-N", "SMILES:CC(C)c1coc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSXLBFXHFSJCN-UHFFFAOYSA-N", "SMILES:CC(C)c1csc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGVPVUAKZBFLX-UHFFFAOYSA-N", "SMILES:CC(C)c1csc(-c2cccc(CN(C)c3ccc4[nH]nc(C(=O)O)c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFVQXIELTUECE-UHFFFAOYSA-N", "SMILES:CC(C)c1csc(-c2cccc(CN(C)c3ccc4[nH]nc(C(=O)O)c4c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGWHPOFSQUANHB-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAYVIUTDXWDMX-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2cccc(CN(C)c3ccc4[nH]nc(C(=O)O)c4c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZRPEYLBXMCWFA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2O)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXANBMLOBOHSEA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccc(CN(C)c3ccc4[nH]nc(C(=O)O)c4c3)c2)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTBKTJLMFSFDOM-UHFFFAOYSA-N", "SMILES:CN(C)c1noc(-c2cccc(CNc3cnc4nn[nH]c4c3)c2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMCCAOBPXDUIT-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(-c3ccc(Br)cc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAUQVYLGWNNTGX-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(F)cc1-c1ccc(C(=O)O)c(Cl)c1)C(=O)c1cc2ccc(Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGJIJTWOILHDF-UHFFFAOYSA-N", "SMILES:CCCOc1ncccc1CN(C)c1ccc2[nH]nc(C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLKVCEGLTDAVLW-UHFFFAOYSA-N", "SMILES:CCN(Cc1cccc(-c2nc(N(C)C)no2)c1O)c1ccc2[nH]nc(C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUFIEDVPSKMGEF-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1cccc(-c2nc(N(C)C)no2)c1O)c1ccc2[nH]nc(C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTJJDPELDNQOX-HNQUOIGGSA-N", "SMILES:FC(F)(F)c1cc(S/C=C/CBr)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXSDDDPOSDWSSH-HNQUOIGGSA-N", "SMILES:[O-][S+](/C=C/CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYXWITVRPMLRKC-XVNBXDOJSA-N", "SMILES:CC(C)CCNC/C=C/[S+]([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNFKVLCCOXILRM-QRIZHPKHSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](N=[N+]=[N-])[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNVFMVXUOADJM-XBSVYHDWSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3ccccc3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNKMJAJNZISJX-XBSVYHDWSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXCSAXWILXMNH-XBSVYHDWSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cccc(Cl)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVUASMESZLFED-DMOAPALPSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cccc(C(F)F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZENFIKBPODKDQ-XBSVYHDWSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cccc(OC(F)F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJSZPSCSTHCRHG-XBSVYHDWSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cccc(O)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMNRUNLWSDWPRO-XBSVYHDWSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cccc(N)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPKKLERBSGKSOA-KKEUTGBGSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cccc(NC(C)=O)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNLKTZPLZYDCW-ONICRPCBSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3ccccn3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOCGNITJVSNFV-LXAWSSJBSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3ncccn3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWUKOCAMCFANQ-COQUQQDQSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cncnc3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDFGBSSRWOKCFI-COQUQQDQSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cnccn3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBZDGLIYSYBTB-XUXZENIZSA-N", "SMILES:COc1ccc(-c2cn([C@H]3COC[C@@H](S[C@@H]4O[C@H](CO)[C@H](O)[C@H](n5cc(-c6cc(F)c(F)c(F)c6)nn5)[C@H]4OC)[C@@H]3O)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODPRPZFTXVPTL-LNQQVJPHSA-N", "SMILES:COc1cnc(-c2cn([C@H]3COC[C@@H](S[C@@H]4O[C@H](CO)[C@H](O)[C@H](n5cc(-c6cc(F)c(F)c(F)c6)nn5)[C@H]4OC)[C@@H]3O)nn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GANWIUFHBXBTSI-COQUQQDQSA-N", "SMILES:COc1ncc(-c2cn([C@H]3COC[C@@H](S[C@@H]4O[C@H](CO)[C@H](O)[C@H](n5cc(-c6cc(F)c(F)c(F)c6)nn5)[C@H]4OC)[C@@H]3O)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSFAZMKTRMYHF-LXAWSSJBSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3ncc(F)cn3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPKEQXHXKVPFF-HZCDSYHLSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cnc(C(F)(F)F)nc3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPVGUIUIVRERF-LWOYYXLGSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3ccnc(Cl)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQNOYCNBLWRZSC-DMOAPALPSA-N", "SMILES:COC(=O)c1cccc(-c2cn([C@H]3COC[C@@H](S[C@@H]4O[C@H](CO)[C@H](O)[C@H](n5cc(-c6cc(F)c(F)c(F)c6)nn5)[C@H]4OC)[C@@H]3O)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTIIUTQBMPGRDK-KGRZPOHYSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3nccc(N)n3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFZLRWMYZSATSN-QDJFXJLCSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3nccc(NC(C)=O)n3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIZAELBWRIEOPV-QBWHYDRNSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3nccs3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYUWWJKKGSQBSZ-XBSVYHDWSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(C3CCCCC3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTVAGAFWHVRDAX-ONICRPCBSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(C3CCOCC3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZPPNYSWCRTTQQ-YIQAVPGSSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWDMEBQLOHVEDO-COQUQQDQSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cncnc3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXSXUHZKARCKV-FURTUFADSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3ccc(Br)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1S[C@@H]1COC[C@H](n2cc(-c3cncnc3)nn2)[C@H]1O"]}
{"name": "Galectin-3", "xref": ["CHEMBL.TARGET:CHEMBL3668"], "id": "UniProtKB:P16110", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBSRRDTYWNYHA-DZUOILHNSA-N", "SMILES:NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPBRGUYJGJYOI-QPMBAPTHSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOSONHXVQMOMS-HUYGOBHQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(S)O[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO[P@](=O)(S)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOSONHXVQMOMS-KLDWUSTBSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO[P@](=O)(S)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOSONHXVQMOMS-WLDRUBBVSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO[P@@](=O)(S)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFLUKTZBKNITE-WAZFKGIDSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(S)O[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFLUKTZBKNITE-VIORMFSVSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXMFTWFFKBFIN-XPWFQUROSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO[P@@](=O)(O)O[C@H]2[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4449584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCBNSCSPXMEBK-INFSMZHSSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQZWXNITEWDGCM-INFSMZHSSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@@H]2[C@@H]3O)O[C@H]4n2cnc3c(N)ncnc32)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSWSFOHKUMIXAS-XBNNLADJSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYHKYPUKBSXMH-IBUACTADSA-N", "SMILES:CC(C)(C)C(=O)OCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZDMDFWEUYOXDZ-CLRGXQBTSA-N", "SMILES:CC(C)(C)C(=O)OCO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O[P@](=O)(OCOC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZDMDFWEUYOXDZ-GVDXARJFSA-N", "SMILES:CC(C)(C)C(=O)OCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O[P@](=O)(OCOC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLAWDSKFGJSCP-SSLMSAPQSA-N", "SMILES:CCC(CC)C(=O)OCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODJJDFZEXASEU-FIDMBHLCSA-N", "SMILES:CCC(CC)C(=O)OCO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O[P@](=O)(OCOC(=O)C(CC)CC)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODJJDFZEXASEU-CFRPJWIQSA-N", "SMILES:CCC(CC)C(=O)OCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O[P@](=O)(OCOC(=O)C(CC)CC)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTCYIFYPCMCMPJ-WECGLMLBSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OCOC(=O)c3ccccc3)O[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYRMCPXLZELMV-MRVPWCHISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OCOC(=O)c3ccccc3)O[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO[P@](=O)(OCOC(=O)c3ccccc3)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVIFYDSYPLNPOJ-IBUACTADSA-N", "SMILES:CC(C)OC(=O)OCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGMNVCIBNWXGKF-CLRGXQBTSA-N", "SMILES:CC(C)OC(=O)OCO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O[P@](=O)(OCOC(=O)OC(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGMNVCIBNWXGKF-GVDXARJFSA-N", "SMILES:CC(C)OC(=O)OCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O[P@](=O)(OCOC(=O)OC(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDOYBXQIUSLFF-QBBSVUFPSA-N", "SMILES:CC(C)(C)C(=O)OCS[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O[P@@](=O)(SCOC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDOYBXQIUSLFF-YLJAMOEVSA-N", "SMILES:CC(C)(C)C(=O)OCS[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O[P@](=O)(SCOC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDOYBXQIUSLFF-OHZGCLDASA-N", "SMILES:CC(C)(C)C(=O)OCS[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O[P@](=O)(SCOC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXSJUUNMIJYJU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2cccs2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQGNWOTXMSFARG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccccc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUQPBPAHPCBBX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc(F)cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDKSIPDFWUKSW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc(Cl)cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYLDRRBXBSQMLF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2cccc(Cl)c2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYYNKOITNXLIQZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccccc2Cl)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPXBDVJALSVDSI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc(Br)cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDNSQUCOJVORB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc(C)cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HILKMLIHQJPADV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc(OC)cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKWENFNLDBMQG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc(C(F)(F)F)cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTXVRAHIUMPEFR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccccc2C(F)(F)F)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPHJNKEVMZPTL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc(C(=O)OC)cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPTCAFRHQLSYBB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc([N+](=O)[O-])cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICABRSYZXPFSI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc(C#N)cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBJRAUWTIHONV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc(-c3ccccc3)cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVZWJRWJMZVZEM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(c2ccc(N3CCOCC3)cc2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYOWAJCHNUZCO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CCSc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWDIEJWAKYQDOW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1C(=O)CC(C)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1949980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAYCXMQTUEDRD-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZHVDNDSMUFNFY-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2ccco2)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZICUHOFOOPVFM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1493986", "category": ["biolink:ChemicalEntity"], "name": "METHYL ANTHRANILATE", "xref": ["InChIKey:VAMXMNNIEUEQDV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5083598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILCBGAMVQYUDFL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(I)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURZQJWELZMFAQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2ncco2)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGRNLRHIXDVRL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2cccnc2)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXVOUWZIUDHPO-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(C2CCCO2)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSOSGZJMSRVWGW-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(-c2ccco2)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBCSZXQZSCCEX-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2ccco2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APQRBMPIKCJFHV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccco2)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMRNRWWYMXSSE-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(-c2ccco2)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRKMXNSXPJPSW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZICKSCRQYGDDGI-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(Br)nc1C(=O)NCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLNZGRSQIIIAO-UHFFFAOYSA-N", "SMILES:CC(O)CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTZYEHOLZSQKH-YFKPBYRVSA-N", "SMILES:Nc1cc(C(F)(F)F)c(Br)nc1C(=O)NC[C@H](O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTZYEHOLZSQKH-RXMQYKEDSA-N", "SMILES:Nc1cc(C(F)(F)F)c(Br)nc1C(=O)NC[C@@H](O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKVGABLCWNRNCT-VIFPVBQESA-N", "SMILES:C[C@](O)(CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKVGABLCWNRNCT-SECBINFHSA-N", "SMILES:C[C@@](O)(CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVRZCDPWQYZXNS-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMBGYUOORNPLR-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(Br)nc1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POGTUVIIGKHISG-UHFFFAOYSA-N", "SMILES:CC(O)(CNC(=O)c1ncc(C(F)(F)F)cc1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKUZELTNIAEGX-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGUIUBDNWFFWTR-UHFFFAOYSA-N", "SMILES:CCc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOVVSHMLCFFGGB-VIFPVBQESA-N", "SMILES:C[C@](O)(CNC(=O)c1nc(C(F)(F)F)c(C(F)(F)F)cc1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIPCBAOWKGHCK-UHFFFAOYSA-N", "SMILES:CNc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTJSSDOCFJIJY-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOLIZSVOBMCSPJ-NSHDSACASA-N", "SMILES:CCOc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENDAKYLVBQITO-OFZQNWGUSA-O", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCC[N+](C)(C)CCCC[N+](C)(C)CCCN"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5083569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCJDWJNMXFPDE-LHJYKZFFSA-O", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCC[N+](C)(C)CCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPYHFAXXUQFOFH-KLZDLQIWSA-P", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCC[N+](C)(C)CCCC[N+](C)(C)CCCNC(=O)/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEOYMURLIQKAF-AXWVQUKCSA-P", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCC[N+](C)(C)CCCC[N+](C)(C)CCCNC=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSSTABXHOBGIS-SGULRMECSA-P", "SMILES:CC(=O)NCCC[N+](C)(C)CCCC[N+](C)(C)CCCNC(=O)/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXZTIYAVJHDFR-PXHFYUSRSA-O", "SMILES:C=C(C)C(CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCC[N+](C)(C)CCCC[N+](C)(C)CCCN)OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULLRSLGSVBYVDO-XYSCWCQWSA-O", "SMILES:C=C(CCC=C(C)C)C(CC/C(C)=C/CC/C(C)=C/C(=O)NCCC[N+](C)(C)CCCC[N+](C)(C)CCCN)OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUNDMUCYGRLGDE-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGCITJVNXZCKI-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ncc(Cc3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBLGYUIOHRJAL-UHFFFAOYSA-N", "SMILES:COCCNc1nc(N)nc2ccc(Cc3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQPLOYYKVZIVKF-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(CCc3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSYUODPJWTUHDB-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(CCc3ccc(C(=O)OC)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLFHKCCHPUSHX-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc4ccccc4c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHDBDGYSRTIQC-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccccc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOMZNVKLJDMKNJ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3cccc(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWDXCUCVJUDLV-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFEHSBJBNFLBJQ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccccc3C(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZNVFBUXUSYKAC-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3cccc(C(F)(F)F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKGKUQPFXZOAZ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(C(F)(F)F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRZMILHDDYHNHS-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccccc3C#N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOBRAIAJYVPPLP-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3cccc(C#N)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLHOGUHIXYVTOJ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(C#N)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIWBLNURRHLBQN-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccccc3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFLUYWREJUJKW-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3cccc(C)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQINJRWOYUTNAO-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMFKUNTVITHEA-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccccc3OC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKGIUULNXMMWHK-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3cccc(OC)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAHQPQWBEZDATE-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(OC)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWXYWOGDGUWDQR-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccccc3C(=O)OC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOQVOKAURHUJB-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3cccc(C(=O)OC)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOYAEMWMQBRTK-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(C(=O)OC)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPMKZNFDVIFFK-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccccc3C(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVJIGWJRIHBYAT-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3cccc(C(=O)O)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSJWYHTWRVYQH-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(C(=O)O)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCMPCGLINMRJD-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJLTRNOVXPKPN-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CP(=O)(OCC)OCC)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYBXKAHCMCUGJX-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CP(=O)(O)O)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRSUHYYQPKUQV-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CN)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCNUUONCXAODW-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CN=[N+]=[N-])cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNFCRRTVRRVOF-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CNC)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJGSXNCZQXVDB-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CNCC(F)(F)F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUCCCPVHDPRCEB-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CN(C)C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBXIEZGSSPSVNJ-UHFFFAOYSA-M", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(C[N+](C)(C)C)cc3)nc12.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNUFTLFBIQEOQ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccccc3CN)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COESQVJWHNEPPM-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccccc3CN(C)C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUPTPWFYFLHGE-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3cccc(CN(C)C)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPCOKZNBYTPSF-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(COC)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATJFNNTPBAGST-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUWHVCSBQAWAND-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CN4CCOCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJIGXQDERFISLK-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CN4CC5(COC5)C4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQHYCVOVYJQJOY-UHFFFAOYSA-N", "SMILES:COCCNc1nc(N)nc2ccc(Cc3ccc(CN(C)C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDIISCIYOKDQQX-UHFFFAOYSA-N", "SMILES:COCCNc1nc(N)nc2ccc(Cc3ccc(CN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAOBSIRZYMYIO-UHFFFAOYSA-N", "SMILES:COCCNc1nc(N)nc2ccc(Cc3ccc(CN4CCOCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIJPYVGNZUHBZ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(C(=O)N(C)C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOULUBCLGBNCT-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(C(=O)N4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZHKESQLYZZEJ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(C(=O)N4CCOCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJMNBPYRKCIGK-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CN(C)C)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXOPNPCIJPFRE-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(CCc3ccc(CN(C)C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPPPHUEIZXBKY-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CCN(C)C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNCCIRRTYYOWQM-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(OCCN(C)C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXBEWBAMVPXJT-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CN(C)C)cc3OC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWQJWLAOFUFENK-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(Cc3ccc(CN(C)C)c(OC)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLAVUOGNOLKBKO-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ccc(C(C)c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDSGYDQSLJKTTP-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2nc(C3CCCCC3)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTEMKPAGWXHZCP-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2nc(C34CCC(C(=O)OC)(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNRNVGHLCUHJM-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2nc(C34CCC(C(=O)OC)(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)O)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYGWYWGJZYRIO-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OILFXMJWXJFNKA-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGSISGTSGWHBY-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)O)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKYCVDHNWHQPM-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2nc(C34CCC(C(=O)NCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYJQIVBGGDTIP-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTAAFDMUMXKSNA-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCCCCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCEYCZMPZCYMEI-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCOCCOCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLYNLQHAYCBJP-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCOCCOCCOCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPGLNKYCDIIEST-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)C12CCC(c3nc4c(=O)n(CCCC)c(=O)n(CCC)c4[nH]3)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYOFKFWUXVNKU-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)C12CCC(c3nc4c(=O)n(CCCC)c(=O)n(CCCNC(=O)c5ccc(S(=O)(=O)F)cc5)c4[nH]3)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFYVRVTDSODIK-UHFFFAOYSA-N", "SMILES:C#CCCCCNC(=O)C12CCC(c3nc4c(=O)n(CCCC)c(=O)n(CCCNC(=O)c5ccc(S(=O)(=O)F)cc5)c4[nH]3)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL136689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEULVFLPCJOBCE-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHCTHHFOHMNFV-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMTBOSUYNMHIKE-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(CNc2nc(N3CCN(C4CCCC4)CC3)c3ncn(CCCN4CCCC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWEMXJGXMAQTMM-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc(NCc3ccc(CN(C)C)cc3)nc3c2ncn3CCCN2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZTNHFBQLMOKHK-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(N3CCN(C4CCCC4)CC3)c3ncn(CCCN4CCCC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYRVVSAGVVWSV-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N3CCN(C4CCCC4)CC3)c3ncn(CCCN4CCCC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTBSHBYDYJBNH-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc(NCc3ccc(F)cc3)nc3c2ncn3CCCN2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXAGOPCOQGXRCQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(N)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEAUQPORMXMCPY-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(NCc4ccccc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGYDRPJFOGJNC-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(NCc4ccc(OC)cc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJNFAZLOHMTQC-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(NCc4ccc(F)cc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRJPHPTKYQXQV-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(NCc4ccc(N(CC)CC)cc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFQVBAFMKLMFQJ-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(NC(=O)c4ccccc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABFTEMVMVSCQX-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(N4CCCC4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVOMGUJIPYTCF-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(NCc4ccc(OC)cc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDZHPSQPMAQIS-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(NCc4ccc(F)cc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLKPMTFHRSVBSZ-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(NCc4ccc(N(CC)CC)cc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGNMEPZMKGGSMD-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(NC(=O)c4ccc(CN(C)C)cc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQOHXFSIJIQPF-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(C(=O)c5ccccc5)CC4)nc(NCc4ccc(N(CC)CC)cc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPOIKRXSJEJCM-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(C(=O)C5CCCC5)CC4)nc(NCc4ccc(N(CC)CC)cc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOZBGKKZIZMDOW-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc(N)nc3c2ncn3CCCN2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUELMKFFEHZQRT-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN(C3CCCC3)CC2)c2ncn(CCCN3CCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELPYYWZCHIDGP-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc(NCc3ccc(OC)cc3)nc3c2ncn3CCCN2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMFBRECXBGCIEB-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(N)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZUGVIEBVWBSZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCSc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKAZACXXFMQQFZ-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJERRUOGLWEBPY-UHFFFAOYSA-N", "SMILES:CCCCCCCNc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKIXYUNGPOSZNJ-UHFFFAOYSA-N", "SMILES:CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSAIDJTFVHSDP-UHFFFAOYSA-N", "SMILES:CCCCCCCSc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYOENGSGIMZBH-UHFFFAOYSA-N", "SMILES:CCCCCCCNc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQHBQSOTACDLMA-UHFFFAOYSA-N", "SMILES:CCCCCCCOc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAEIDMRGRUBZPP-UHFFFAOYSA-N", "SMILES:CCCCCCCSc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCVWIUWUIVEDY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLUIFNNEDXWLF-UHFFFAOYSA-N", "SMILES:CCCCCCCCNc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJAHVXKDUSDSU-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIGDVAAXLTOOC-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSFVUBMFCHWJW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZRMBZXUYFWINN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATFEKULCCLGSW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1ccc(C(=O)Nc2cc(C)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPZRFNMCJXZNY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCc1ccc(C(=O)Nc2cc(C)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGHIUKRDLBEISD-UHFFFAOYSA-N", "SMILES:CCCCCCCCNc1ccc(C(=O)Nc2cc(C)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNPROZPNVIRTCQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(C(=O)Nc2cc(C)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPKKYJLEQAZDG-UHFFFAOYSA-N", "SMILES:CCCCCCCCSc1ccc(C(=O)Nc2cc(C)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRUUNAJGFSWLN-UHFFFAOYSA-N", "SMILES:CCc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTYIXPRQPUDLX-UHFFFAOYSA-N", "SMILES:CCCCc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYHJSWCINMSJN-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)cc(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGFDTXWLMTPMF-UHFFFAOYSA-N", "SMILES:Cc1cc(CC(C)C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIJVSVQZXCYFR-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)cc(C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOSBFFRDVKYBC-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)cc(C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWBYOXFHWZPYSO-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)cc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLACTQPUJBHDP-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMFRNIIUKYUDSD-UHFFFAOYSA-N", "SMILES:CCc1cc(CC)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNKROQNPNZZQX-UHFFFAOYSA-N", "SMILES:CCCc1cc(CCC)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQWDAHYJBEZPW-UHFFFAOYSA-N", "SMILES:CCCCc1cc(CCCC)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZKOZVBKFJIALQ-UHFFFAOYSA-N", "SMILES:Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C3CC3)cc(C3CC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGERJQIXYLUEPM-UHFFFAOYSA-N", "SMILES:Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C3CCCC3)cc(C3CCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTGXEDBHOFVNBI-UHFFFAOYSA-N", "SMILES:Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C3CCCCC3)cc(C3CCCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXQGYIFMSVXSM-UHFFFAOYSA-N", "SMILES:Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(Cl)cc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXJDEIVEZRCDN-UHFFFAOYSA-N", "SMILES:Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(Br)cc(Br)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGVORVFBHPKFGF-UHFFFAOYSA-N", "SMILES:Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXBJJMZGIPHJS-UHFFFAOYSA-N", "SMILES:Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(CO)cc(CO)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRULODWBOXFYKA-UHFFFAOYSA-N", "SMILES:Cc1nnn(C2CCNCC2)c1-c1cccc(OC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBYORQIDMBCTD-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1cccc(-c2c(C)nnn2C2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONGSSQIENWXPHP-UHFFFAOYSA-N", "SMILES:Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(Br)ccc2Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTOZKPMRBSUSPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1Oc1cccc(-c2c(C)nnn2C2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRLZGRRJGHILMO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCN(CCN)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIKWYDHWUKSWAQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCN(CCN(C)C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSOZHLZHAXOEGJ-UHFFFAOYSA-N", "SMILES:Cc1nnn(C2CCN(CCN(C)C)CC2)c1-c1cccc(Oc2cc(Br)ccc2Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYVLOOXFFIFQEN-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCCn1c2c(c3ccccc31)C(=O)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZEJPAGUQDRCOG-PYMGOFIGSA-N", "SMILES:C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)[C@H](O)CCC(C)(C)[C@H]1C[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3962241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSJOYQIOHVHMCZ-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=O)c2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHHAMWTRSVIEX-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZCUMZWULWOUMD-MUUNZHRXSA-N", "SMILES:COc1cc(F)ccc1-c1cc(Nc2cc(C[S@](C)(=N)=O)ccn2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXPCRZHBBOXZKJ-RJUHSKJUSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXLXCAADDLJMTK-FJTZFDGWSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKYSBPBHBSGZBL-FJTZFDGWSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUSKTZTBGXEJX-VAGUKGBXSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGPPZCYXBZKOB-FJTZFDGWSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJOHAJQVOUSZEP-FJTZFDGWSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEKSOKGWLBBYCL-FJTZFDGWSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUPIFRRVRMUJZ-FJTZFDGWSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHMORKSXNOYLA-UHFFFAOYSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKCTJSKTAZDGB-UHFFFAOYSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYFIMYJVLJJHOI-UHFFFAOYSA-N", "SMILES:CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXUSNQGSDATUKH-UHFFFAOYSA-N", "SMILES:CCC(Cc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSWFQGNKQQFSKP-UHFFFAOYSA-N", "SMILES:CC(Cc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQRCRQFMLHQPQB-UHFFFAOYSA-N", "SMILES:CCC(Cn1ccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHMBYKAIFZYCJ-UHFFFAOYSA-N", "SMILES:CC(Cn1ccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOGBMEXOZBVZLG-UHFFFAOYSA-N", "SMILES:CCC(CCc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTAQJYOHXDVAY-UHFFFAOYSA-N", "SMILES:CC(CCc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZTDHHGFZAWKLD-UHFFFAOYSA-N", "SMILES:CCC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPZPTRUJGVIMLL-UHFFFAOYSA-N", "SMILES:CC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKAQZTHKVRIQNF-UHFFFAOYSA-N", "SMILES:CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNSAQUOMAFQHCM-SKABWFMLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N4C[C@@H](O)C[C@H]4C(=O)N4C[C@@H](O)C[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFCMKFQXUXVKHR-ZSALEZMSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N4C[C@@H](O)C[C@H]4C(=O)N4C[C@@H](O)C[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHKQTFSLPMMELW-VTBUDEGHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N4C[C@@H](O)C[C@H]4C(=O)N4C[C@@H](O)C[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVQSRHHCJTBSI-STUJECSISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N4C[C@@H](O)C[C@H]4C(=O)N4C[C@@H](O)C[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNYDGYMISSIMY-MCQYGHRBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N4C[C@@H](O)C[C@H]4C(=O)N4C[C@@H](O)C[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTMDWZARZFLQP-QKQNDHNRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N4C[C@@H](O)C[C@H]4C(=O)N4C[C@@H](O)C[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZZCOHRYBPQRO-UVTNKDQESA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N4C[C@@H](O)C[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]4CCCN4C1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC2=O"]}
{"name": "Sodium channel protein type 8 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL1914275"], "id": "UniProtKB:Q9WTU3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYMCACGHVOCEW-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1ccn(-c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)nc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVULRVFXKSTHHA-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)nc3[nH]ccc23)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNPJYKGVXDREP-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1ccn(-c2nc(Nc3ccc(N4CCN(CC(=O)N(C)C)CC4)cc3OC)nc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCQDODBNPFHTK-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(N4CCN(CC(=O)N(C)C)CC4)cc3OC)nc3[nH]ccc23)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWGYXZJWGOEML-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1ccn(-c2nc(Nc3ccc(N4CCC(O)(C(=O)N5CCN(C)CC5)CC4)cc3OC)nc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNJWPYAUEYTPST-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(N4CCC(O)(C(=O)N5CCN(C)CC5)CC4)cc3OC)nc3[nH]ccc23)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNVVAOOORLQLA-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1ccn(-c2nc(Nc3ccc(N4CCC(O)(CN5CCN(C)CC5)CC4)cc3OC)nc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBYZSBZSAMQGS-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(N4CCC(O)(CN5CCN(C)CC5)CC4)cc3OC)nc3[nH]ccc23)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWMZNMOTNWNVDX-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1ccn(-c2nc(Nc3ccc(N4CCC(C(=O)N5CCN(C)CC5)CC4)cc3OC)nc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIIQUAMSZSLWLC-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(N4CCC(C(=O)N5CCN(C)CC5)CC4)cc3OC)nc3[nH]ccc23)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQVFAQSKCBOQR-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1N1CCn2cc(-c3nc(Nc4ccc(N5CCC(N6CCN(C)CC6)CC5)cc4OC)nc4[nH]ccc34)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJNYHCPSNEVHT-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1N1CCn2cc(-c3nc(Nc4ccc(N5CCN(CC(=O)N(C)C)CC5)cc4OC)nc4[nH]ccc34)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVAXHNBBXLAUPQ-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1N1CCn2cc(-c3nc(Nc4ccc(N5CCC(O)(C(=O)N6CCN(C)CC6)CC5)cc4OC)nc4[nH]ccc34)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRIUUBBENLKJQC-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1N1CCn2cc(-c3nc(Nc4ccc(N5CCC(O)(CN6CCN(C)CC6)CC5)cc4OC)nc4[nH]ccc34)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIVRSKOBBRJMHO-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1N1CCn2cc(-c3nc(Nc4ccc(N5CCC(C(=O)N6CCN(C)CC6)CC5)cc4OC)nc4[nH]ccc34)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDEYTRKWFAKTAZ-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1N1CCn2cc(-c3nc(Nc4ccc(N5CCC(C(=O)N(C)CCN(C)C)CC5)cc4OC)nc4[nH]ccc34)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNSPEWBMGVWZFC-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1N1CCn2cc(-c3nc(Nc4ccc(N5CCC(C(=O)N6CC7(CN(C)C7)C6)CC5)cc4OC)nc4[nH]ccc34)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJLAVRXVFHDSJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5nc(C)oc5c4)c[nH]c3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGEIUFJVGHMGRR-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1ccn2c1CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPFJOLAKDCTAGI-UHFFFAOYSA-N", "SMILES:O=c1ccc2c([nH]1)CCC(NCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUAMEGRAPHLCJR-UHFFFAOYSA-N", "SMILES:O=c1ccc2c([nH]1)CCC(NCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEJUEDROIGPNO-UHFFFAOYSA-N", "SMILES:O=c1ccc2c([nH]1)CCC(NCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBBNUQRZLQJKZ-UHFFFAOYSA-N", "SMILES:O=c1ccc2c([nH]1)CCC(NCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKXFLSDMLZFDO-UHFFFAOYSA-N", "SMILES:O=c1ccc2c([nH]1)CCC(NCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUPUJFQNOIJFY-UHFFFAOYSA-N", "SMILES:O=c1ccc2c([nH]1)CCC(NCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJGWIGHIQLEJMP-UHFFFAOYSA-N", "SMILES:O=c1ccc2c([nH]1)CCC(NCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYHFAHCHRHNJPA-UHFFFAOYSA-N", "SMILES:O=c1ccc2c([nH]1)CCC(NCCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEEJZWCXZKOVDU-UHFFFAOYSA-N", "SMILES:O=c1ccc2c([nH]1)CCC(NCCCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNRDQJEQCTSJB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(N3CCc4sccc4C3)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFILBQITWGTWAA-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2ncc(Cl)c(N3CCc4sccc4C3)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDOKGNTXHMTTSX-VOTSOKGWSA-N", "SMILES:C/C=C/C(=O)Nc1cc(Nc2ncc(Cl)c(N3CCc4sccc4C3)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRVSENVRFCUSH-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)Nc1cc(Nc2ncc(Cl)c(N3CCc4sccc4C3)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIKUZNMKBDQKL-GJPUVDBCSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OC/C=C(\\C)CCC=C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJPLRJGGSLVWRN-HNNXBMFYSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCCCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGRVCONOPYYMNJ-HNNXBMFYSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCC=C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOOIPIFOTMFZOT-HNNXBMFYSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIKUZNMKBDQKL-BXWQOUMASA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OC/C=C(/C)CCC=C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEDRISYDKDIEZ-DTQAZKPQSA-N", "SMILES:CC(C)=CCC/C(C)=C/COc1ccc(CCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJCFOWYPBZSFON-ZDUSSCGKSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCC=C(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANASZGYIKXLBHL-QUCCMNQESA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCC[C@H](C)CCC=C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANASZGYIKXLBHL-ICSRJNTNSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCC[C@@H](C)CCC=C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKYFTKNSDCXUNE-AWEZNQCLSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCMPIQCYBVCNMU-INIZCTEOSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCC(CC)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCPXAWKHMFWAX-OCCSQVGLSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(O[C@H](C)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCPXAWKHMFWAX-JSGCOSHPSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(O[C@@H](C)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZCCCBKQGSMWLD-INIZCTEOSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCC(C)=C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMGOUZXQZMUPN-ZFWWWQNUSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OC[C@@H](C)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMGOUZXQZMUPN-WUJWULDRSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OCC(C)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDQDONESSJLQV-WUJWULDRSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(OC(C)CCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNINBMOJXAPEAU-HEVIKAOCSA-N", "SMILES:CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQRGEMWCNRJRB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)c(CN(CCc1ccc(-c3ccccc3)cc1)Cc1ccccc1)cn2CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGGPGCBYNYCBC-DEOSSOPVSA-N", "SMILES:C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)Cc1cn(C)c2ccc(C(=O)OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQXMZGZZQSRSQY-UHFFFAOYSA-N", "SMILES:CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CCCCC1CCSS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWHCHGHEDUQLCU-FWIFIWDMSA-N", "SMILES:CCCCC/C=C/C/C=C\\CCCCCCCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIFETOWNCDWNV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJLOVBVGFESGQ-SEYXRHQNSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1411", "category": ["biolink:ChemicalEntity"], "name": "LISOFYLLINE", "xref": ["InChIKey:NSMXQKNUPPXBRG-SECBINFHSA-N", "SMILES:C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O"], "synonym": ["Lisofylline", "Lisofilina", "Lisofylline", "Lisofylline", "Lisofylline, (r)-", "CT 1501R", "CT-1501R", "CT1501R", "Protec", "Lisofylline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5073811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHMFMJZTZPCBL-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBPBNZRHOWWRCO-UHFFFAOYSA-N", "SMILES:CCNc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZNKJOFTVOTNJ-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(N2CCC(O)C2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSJMHBLIZUZVMZ-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMTKXGPZOYFHAV-UHFFFAOYSA-N", "SMILES:CCCNc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLNFDXTPLGTNE-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNSTVKJVRKBRB-UHFFFAOYSA-N", "SMILES:CCCCCNc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZZLARYSCDCAAY-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NC(C)C)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBAGXGKJINQKHA-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCC(C)C)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENKIXMARMDBGD-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NC(C)(C)C)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEPJGWLVQAJPK-UHFFFAOYSA-N", "SMILES:CCC(C)Nc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYGDNXKYCXUOSI-UHFFFAOYSA-N", "SMILES:CCC(CC)Nc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVFCHQHJLFVUMW-UHFFFAOYSA-N", "SMILES:CCCC(C)Nc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLKBZFSRDHWOF-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCC(C)(C)C)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITNGSZUHOZFSHY-UHFFFAOYSA-N", "SMILES:CCC(C)CNc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOMWZCPRWXHCS-UHFFFAOYSA-N", "SMILES:CCCCCC(C)Nc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMPJOOPJVKZPOL-UHFFFAOYSA-N", "SMILES:CCCC(CCC)Nc1cc(Oc2c(OC)cc3cc(C#N)ccc3c2OC)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFDNAFDEILJXBF-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCCCOC(C)C)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRQYUARMPXJOQ-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(N2CCOCC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQRVTGQZDWKPMK-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCC(F)(F)F)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHLMXIKOMVNJZ-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NC2CC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKCBTOVOTLBYFM-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCC2CC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COLFRAMMILBOCC-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NC2CCC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSATAOJPIDQRK-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NC2CCCC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUTRXGBJBIHKJG-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NC2CCCCC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSZUTMCQVWMCF-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCCC2=CCCCC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGBUIPMKZCVIRG-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NC2CCOCC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZFSKKBDJBVMM-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCC2CCOCC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVQZXIADCCEAFL-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NC2CCOC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTXGAOGUEOJLRB-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCC2CCOC2)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCFRKNZTKLXFO-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCCCO)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFMQBCICVCHMN-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCC(O)CO)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDYMWTOPFZBPBY-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C#N)ccc2c(OC)c1Oc1cc(NCCCCO)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFOEUFOBZQIEL-MTJSOVHGSA-N", "SMILES:O=C(CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZGHXFYLEWZRGA-UHFFFAOYSA-N", "SMILES:O=C(CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)C(=Cc1cccs1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCVORGOVUHISU-ZHZULCJRSA-N", "SMILES:O=C(CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)/C(=C/c1ncc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCBMCCISYODBR-XKZIYDEJSA-N", "SMILES:O=C(CCCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXYMWSKHOCOJF-UHFFFAOYSA-N", "SMILES:O=C(CCCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)C(=Cc1cccs1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCWUJKWNBKVAH-QFEZKATASA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3cccc(NC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)c3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJUAIOQSNLTXLS-FBHDLOMBSA-N", "SMILES:Cc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)c(=O)n1Cc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPDVVDNRUBARQ-YJWYJIRDSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)c2ccccc2)c(=O)n1Cc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXPIFJDEXHSIO-UWVJOHFNSA-N", "SMILES:Cc1c(Br)cc(C(=O)NCC(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)c(=O)n1Cc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLYXBLDJCZSBIR-HPEYOZPNSA-N", "SMILES:Cc1c(Br)cc(C(=O)N[C@@H](C(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)c2ccccc2)c(=O)n1Cc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPMMIISBZJPHR-OXTLUBNBSA-N", "SMILES:O=C1Nc2ccc(NC(=O)[C@H](NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c3ccccc3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292303", "category": ["biolink:ChemicalEntity"], "name": "D-TRYPTOPHAN", "xref": ["InChIKey:QIVBCDIJIAJPQS-SECBINFHSA-N", "SMILES:N[C@H](Cc1c[nH]c2ccccc12)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL17962", "category": ["biolink:ChemicalEntity"], "name": "HISTIDINE", "xref": ["InChIKey:HNDVDQJCIGZPNO-YFKPBYRVSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)O"], "synonym": ["Histidine", "Histidina", "L-histidine", "Histidine", "Histidine", "FEMA NO. 3694", "NSC-137773", "Histidine", "Histidine", "L-histidine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL104875", "category": ["biolink:ChemicalEntity"], "name": "D-HISTIDINE", "xref": ["InChIKey:HNDVDQJCIGZPNO-RXMQYKEDSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5082788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBYAUCUBVJZMY-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1cc(F)cc(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDQEXAPXWRETP-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2ccc3cn[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPAAZLCEMMJSO-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2ccc3c(-c4cccc(CN)c4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIOLGJUNCPGRSV-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc3cn[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWDSTDIHSEBJL-UHFFFAOYSA-N", "SMILES:NCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJLYUUEYRTLCL-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2ccc3c(NC(=O)c4ccccc4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZRYWRIZWVORFG-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKIIJTXTXJYKZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCSUKDRXNKOZEL-UHFFFAOYSA-N", "SMILES:O=C1OCCN1CCN1CCN(c2ccc(-c3n[nH]c4cc(-c5ccc(O)cc5)ccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTPVWHQITHNCPL-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGTZSYZMWFDDLO-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHIEHYDGHFMNV-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(-c3n[nH]c4cc(-c5ccc(O)cc5)ccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOKPIRGSSFOQS-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQFLZQOPBKGNBX-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc3c(-c4ccc(O)cc4)n[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEKDPCUVAJLSDV-UHFFFAOYSA-N", "SMILES:OCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKPXJISAWAPJT-UHFFFAOYSA-N", "SMILES:CCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLFFMPABLNGMO-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2ccc3c(NCc4ccccc4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSSYFSGWGZLEBJ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2c3c(N)n[nH]c(=O)c3nn2-c2ccccc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKORYUDTXFOCY-UHFFFAOYSA-N", "SMILES:Cc1c(-c2c3c(N)n[nH]c(=O)c3nn2-c2ccccc2)oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKFMTXNSVAERNK-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccc5c(c4)NC(=O)C5)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVAILVBISMMBH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOLVWXPNJAPBS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBAIZXAUFOUAE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKMXHZQSSFMHJ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2c3c(N)n[nH]c(=O)c3nn2-c2ccc(F)cc2)oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWRGHYIXDOLLC-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc2c(C)c(-c3c4c(N)n[nH]c(=O)c4nn3-c3ccc(NC(C)=O)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWEUJBDCXSYSGQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(C(=O)NC4CCCCC4)ccc3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWEGNPAMIDBSJW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(C(=O)Nc4ccc(C(F)(F)F)cc4)ccc3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQABTHYHZJAOQS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(C(=O)Nc4ccccc4)ccc3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQGCMFVNJWTUFH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCCCC3)c12"]}
{"name": "Polyketide synthase Pks13", "xref": ["CHEMBL.TARGET:CHEMBL4105939"], "id": "UniProtKB:I6X8D2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIBBQHCKTYBAIQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWIQZPLHNDMRJW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRKBNMGETNJDDF-OAHLLOKOSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCC[C@@H](O)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORINHJZWJXUAQZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CNCC3(O)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXMQXQJRVCOGAY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUGYFDHQHXEIE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CC4(CCO4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSZRYKCNJHCNKN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTVXDHMPAEJFF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCC4(CCO4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVDPZEJKBMPJAN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CC4(CCOC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBGINKNHKGXQNY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCCC(F)(F)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBMFMJIVWNHBR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCC(F)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBRQXQCBBPWWAR-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRXJWLYNKIDKO-UHFFFAOYSA-N", "SMILES:O=C(c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWRXAMAYAVUFN-UHFFFAOYSA-N", "SMILES:O=C(c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLHZJCBKHPMFBJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXCPPOPYYJCBN-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc3c(CN4CCC5(COC5)C4)c(O)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFGLFPFNIWUDIW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIAZGUOIGBSNX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2cccc(O)c2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFXTPDUJHFJTE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(CO)cc2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPAHDXKBAQEUEW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHCHRPWMUVPTLX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc3[nH]ccc3c2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFWRYXYQLVQAJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cn2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLGYBKWKICSQGN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)c(F)c2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOAYMJQHLHUNC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2F)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWDJWTUJJKKCA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2c(F)cc(O)cc2F)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBMSYAQKBJBQZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)c(C)c2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHKCWMQSSBPCPJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cc2C)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVWXJPSAGTUKT-UHFFFAOYSA-N", "SMILES:O=C(c1c(-c2ccc(O)cc2)oc2ccc(O)c(CNCC3(O)CC3)c12)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOVNFRJDOLSKV-UHFFFAOYSA-N", "SMILES:O=C(c1c(-c2ccc(O)cc2)oc2ccc(O)c(CNCC3(O)CC3)c12)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFBPXVQYPPRBW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccc(O)cn2)oc2ccc(O)c(CN3CCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHCQGSHLLJLEHP-UHFFFAOYSA-N", "SMILES:O=C(c1c(-c2ccc(O)cn2)oc2ccc(O)c(CN3CCCCC3)c12)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVPJLHLIOJWRK-UHFFFAOYSA-N", "SMILES:O=C(c1c(-c2ccc(O)cn2)oc2ccc(O)c(CN3CCCC3)c12)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUITZJPUOATDLE-UHFFFAOYSA-N", "SMILES:O=C(c1c(-c2ccc(O)cn2)oc2ccc(O)c(CN3CCCCC3)c12)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCEZJFQSHKFMSA-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(-c2ccc(O)cn2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRQFGYXMZJXAU-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(-c2ccc(O)cn2)oc2ccc(O)c(CN3CCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPAVKZPMZMIFLQ-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(-c2ccc(O)cn2)oc2ccc(O)c(CN3CCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMTFMYUEGVUKHR-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(-c2cc(C)c(O)cn2)oc2ccc(O)c(CN3CCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQCOQZNIQLKGTN-ZDUSSCGKSA-N", "SMILES:COc1cc2c3c(c1O)-c1c(cccc1OC)C[C@@H]3N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5085317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZHAQOTBKWPGS-INIZCTEOSA-N", "SMILES:COc1cc2c(c3c1OCOC3)C[C@H]1c3c(cc4c(c3OC)OCO4)CCN1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5080190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBDPGYNCDXZFOS-UHFFFAOYSA-N", "SMILES:COc1cc2c[n+]3c(cc2c(CO)c1OC)-c1c(cc2c(c1OC)OCO2)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5076804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKLQUJIDOKIQH-NTISSMGPSA-M", "SMILES:COc1cc2c(c3c1OCOC3)C[C@H]1c3c(cc4c(c3OC)OCO4)CC[N+]1=C2.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAUUZZSJCGXKPG-NTISSMGPSA-M", "SMILES:COc1cc2c(c(CO)c1OC)C[C@H]1c3c(cc4c(c3OC)OCO4)CC[N+]1=C2.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404097", "category": ["biolink:ChemicalEntity"], "name": "SALUTARIDINE", "xref": ["InChIKey:GVTRUVGBZQJVTF-YJYMSZOUSA-N", "SMILES:COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c42)C3=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4922390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWPWIJZEAZVBL-AWEZNQCLSA-O", "SMILES:COc1cc2c3c(c1O)-c1c(cccc1OC)C[C@@H]3[N+](C)(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5087459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPVUSMLJRNSLLF-KRWDZBQOSA-O", "SMILES:COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(OC)c1)[N+](C)(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUNPSXVJJSLAKJ-INIZCTEOSA-O", "SMILES:COc1cc(C[C@H]2c3cc(O)c(OC)cc3CC[N+]2(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSMIARUHXBSIJ-UHFFFAOYSA-N", "SMILES:N#Cc1c(Nc2ccc(O)cc2)sc2ccccc12"]}
{"name": "Flavin reductase (NADPH)", "xref": ["CHEMBL.TARGET:CHEMBL5019"], "id": "UniProtKB:P30043", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425", "category": ["biolink:ChemicalEntity"], "name": "OLSALAZINE", "xref": ["InChIKey:QQBDLJCYGRGAKP-FOCLMDBBSA-N", "SMILES:O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O"], "synonym": ["Olsalazine", "Olsalazine", "Olsalazine", "Olsalazina", "Olsalazine", "C. i. mordant yellow 5", "Olsalazine"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5082727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXGUFGOHQOJOK-UDBLUWHUSA-N", "SMILES:CC(C)(C)c1ccc(C23CC2CN(C(=O)[C@H]2C[C@]4(COC(=O)N4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFAGPLRBACJOJ-OQTYKQOSSA-N", "SMILES:Cc1ccc(C23CC2CN(C(=O)[C@H]2C[C@]4(COC(=O)N4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRQHSWTSCRCSL-UDBLUWHUSA-N", "SMILES:CC(C)(C)c1cccc(C23CC2CN(C(=O)[C@H]2C[C@]4(COC(=O)N4)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFOOPFANNKTCHK-DGUYDKLCSA-N", "SMILES:Cc1cc(C2CC2)ccc1C12CC1CN(C(=O)[C@H]1C[C@]3(COC(=O)N3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNDCKHIMYPXHJ-MTRHIFGBSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CCC3(c4ccccc4)C(C1)C3(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNLEFJOCYNLRW-BSMYPESPSA-N", "SMILES:Cc1ccccc1C12CCN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)CC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYBVRGWFABPLX-QGHRMTQGSA-N", "SMILES:CC(C)(C)c1cccc(C23CCN(C(=O)[C@H]4C[C@]5(COC(=O)N5)C4)CC2C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCONYWFGXWHFGE-QGHRMTQGSA-N", "SMILES:CC1(c2cccc(C34CCN(C(=O)[C@H]5C[C@]6(COC(=O)N6)C5)CC3C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMGSRITXRXVKF-SGGYOOMGSA-N", "SMILES:CC(C)(C)c1ccc([C@H]2[C@@H]3CN(C(=O)[C@H]4C[C@]5(COC(=O)N5)C4)C[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZMOARYADOSAS-LVGXBGEXSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1C[C@@H]3[C@H](C1)[C@H]3c1ccc3c(c1)CCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKNGEVPPKXRRQ-RKZUMXTDSA-N", "SMILES:[2H]c1cc([C@H]2[C@@H]3CN(C(=O)[C@H]4C[C@]5(COC(=O)N5)C4)C[C@@H]32)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIFXZBIAYNLBCK-SRRFXAJZSA-N", "SMILES:O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC[C@@]3(c4ccc(C(F)(F)F)cc4)C[C@H]3C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWBAKYPDMDCLY-SCWSEQNSSA-N", "SMILES:CNC(=O)[C@H](NC(=O)[C@@H](CC(F)(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C)C3CCC(F)(F)CC3)nc2c1F)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLZFZLQNTRWAGZ-UWJYYQICSA-N", "SMILES:CCc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CCS(=O)(=O)CC)C(=O)N3CC(F)(F)C(F)(F)C3)ccc2[nH]1)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPAJNMBZHHBAB-MBABXSBOSA-N", "SMILES:CC(F)(F)CNC(=O)C(CC(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPAJNMBZHHBAB-YWZLYKJASA-N", "SMILES:CC(F)(F)CNC(=O)[C@@H](CC(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJCMVIBDWCAJAI-KXBFYZLASA-N", "SMILES:CC(F)(F)CNC(=O)[C@@H](CC(F)(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJQOJBLTLRWCIE-KXBFYZLASA-N", "SMILES:COC[C@H](C(=O)NCC(F)(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCUFPTULYPMMY-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3cc(Cl)c(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXBWPMFKPDDPV-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)ccc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFIJTZLVCCKWKO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)ccc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSEGLDLVMVNHRZ-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3OC(F)(F)F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXFKOXKEBQGAQ-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3C(F)(F)F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMHHKDXTBDEPF-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3C(F)F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVGYDPFKZQBIRJ-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYOYMQNZXJZTGB-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc(Br)c(Nc5ccccc5P(C)(C)=O)n4)cc3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKRLSAMGXNHHB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)cnc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METIKVVBMICNBV-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3c(Cl)cc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSCKGFLBCWGXOG-HFSKIGCYSA-N", "SMILES:Cc1c2c(nc3ccccc13)CC[C@@]1(C)C2=CC[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYTGMSHHUOBRCK-HRJQITQKSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4c5c(nc6ccccc6c5-c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXBHMRTUHQKKQ-UNGWIXRDSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4c5c(nc6ccc(Cl)cc6c5-c5ccccc5Cl)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOTNFAAVVBXLAV-LBGHIHSXSA-N", "SMILES:Cc1c2c(nc3ccccc13)CC1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPPHOSWOJIAHMJ-GGACNSENSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4Cc5nc6ccc(Cl)cc6c(-c6ccccc6)c5C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLMZMPOEAYSFY-KEHUAWQMSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4Cc5nc6ccc(Cl)cc6c(-c6ccccc6Cl)c5C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHYKNEWSNGUPJF-UMHHECOLSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4c5c(nc6ccc(Cl)cc6c5-c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFKIONVVGUDNLF-UXOMWACISA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4Cc5nc6ccccc6c(-c6ccccc6)c5C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFUXYPUQCPMVGZ-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)c1cc2c([nH]c3c(C)cccc32)c(-c2ccc(Cl)c(Cl)c2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSDSLQUHXXBTI-HKUYNNGSSA-N", "SMILES:CC(C)c1cc2c(c(O)c1O)[C@@]1(O)CCCC(C)(C)[C@@H]1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDAVZMSBGQYYQP-HXUWFJFHSA-N", "SMILES:CC(C)C1=C(O)C(=O)C2=C(C(=O)C(O)=C3C(C)(C)CCC[C@]23C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL516515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXKDWVVGVHVQM-ZCNNSNEGSA-N", "SMILES:CC(C)C1=C(O)C(=O)[C@@]23O[C@@]2(C(=O)C(O)=C2C(C)(C)CCC[C@@]23C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1986340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYRMWZAUHBOPE-HXUWFJFHSA-N", "SMILES:CC(C)c1c(O)c(O)c2c(c1O)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5094489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDYKHNTVGSWXCO-UHFFFAOYSA-N", "SMILES:c1ccc2c(CCN3CCC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXCVJKHVIVHNMT-UHFFFAOYSA-N", "SMILES:Oc1cccc2[nH]cc(CCN3CCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAVQMBDHPNPYGB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCN3CCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWIYCPMVAVQALP-GIYDNNGJSA-N", "SMILES:Cc1cnc(Nc2cccc(C(=O)N3CCCC3)c2)nc1N[C@H]1[C@@H](C(N)=O)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZANCKEFIHBJE-XKPGHWPRSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2C2CC2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLKSOMMHRLEOCJ-YHFSLCLQSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2-c2ccoc2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOGZUMFMIBABFJ-YHFSLCLQSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2-c2ccsc2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDIREJTXQKRZCD-CYMHYUIHSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2-c2ccccc2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMIIJPDEPOIIHO-RJADORODSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2-c2ccncc2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGDGWJGAAATCO-BAYWULLTSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2-c2ccccc2F)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAAXULQXDYCYMR-QIMADWELSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2-c2cccc(F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJSAYYGWZQRZJC-QIMADWELSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2-c2ccc(F)cc2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNJAMYDYPTYDZ-GCRLEYHISA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2-c2cncc(F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZAOAIEJUXTAH-HJOCRKTISA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2-c2ccnc(F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLJQOGIHBIDNZ-YGKRLXNZSA-N", "SMILES:N#Cc1cccc(-c2cnc(Nc3cccc(C(=O)N4CCCC4)c3)nc2N[C@H]2[C@@H](C(N)=O)[C@@H]3C=C[C@H]2C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLXBZIFKSDABO-YGKRLXNZSA-N", "SMILES:N#Cc1ccc(-c2cnc(Nc3cccc(C(=O)N4CCCC4)c3)nc2N[C@H]2[C@@H](C(N)=O)[C@@H]3C=C[C@H]2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OACJMCGKLHFOLN-QIMADWELSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCOCC4)c3)ncc2-c2cccc(F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBYHNCOWDYTTRQ-XWJWGENMSA-N", "SMILES:CN1CCN(C(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)c(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKBBAYHGRVJPJO-HJOCRKTISA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccnc(N4CCCC4)c3)ncc2-c2cccc(F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZQLQAPFVMMQY-HJOCRKTISA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccnc(N4CCOCC4)c3)ncc2-c2cccc(F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUSDUSGMWIXJOT-QIMADWELSA-N", "SMILES:CN1CCN(c2cc(Nc3ncc(-c4cccc(F)c4)c(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)n3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRYANARCHPXRQ-HJOCRKTISA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)ncc2-c2cccnc2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANIKNNTSLTWED-RJADORODSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccc(C(=O)N4CCCC4)cc3)ncc2-c2cccnc2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOVIFUEUXGCRT-XWJWGENMSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2-c2cccnc2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNKIPAIHEQSWBK-KXLSXUBNSA-N", "SMILES:Cc1cc(Nc2ncc(-c3cccnc3)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc1OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJOCDAGVCZOCSS-HJOCRKTISA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccc(N4CCOCC4)nc3)ncc2-c2cccc(F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PONZXJHPMSOTCH-QIMADWELSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(-c4cccc(F)c4)c(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXNZFNSPSLHEA-BAYWULLTSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cc(F)cc(N4CCOCC4)c3)ncc2-c2cccc(F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIWFIZLZRBKGQU-XOSANVASSA-N", "SMILES:CN1CCN(c2cc(F)cc(Nc3ncc(-c4cccc(F)c4)c(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBIRANKKAOEQU-HJOCRKTISA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(-c4cnco4)c3)ncc2-c2cccc(F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEAPLOABAMRRFQ-HJOCRKTISA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccc(-c4cnco4)cc3)ncc2-c2cccc(F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKVDTEYDWWBIAU-VQHVLOKHSA-N", "SMILES:C=CCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXDYWRBZZHAACX-CSKARUKUSA-N", "SMILES:C=CCCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMVPFBPJNUJIF-PKNBQFBNSA-N", "SMILES:C=CCCCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFIXKPRLOZJOEC-CSKARUKUSA-N", "SMILES:CCCCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XECRERJBAWZBKY-CSKARUKUSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1Cl)N(O)CCCCCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHYWAJTYSFDPZ-SOFGYWHQSA-N", "SMILES:C=CCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMIFRJYIRYWTC-VMPITWQZSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(F)cc2)c(OC)cc1Br"]}
{"name": "NLR family CARD domain-containing protein 4", "xref": ["CHEMBL.TARGET:CHEMBL4630857"], "id": "UniProtKB:Q9NPP4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon-inducible protein AIM2", "xref": ["CHEMBL.TARGET:CHEMBL4630802"], "id": "UniProtKB:O14862", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVLQFTRLIWTTNO-JJRVBVJISA-N", "SMILES:Cc1c([C@H](C)n2cc(NC(=O)c3cncc(-c4c(C(F)F)ccc(Cl)c4F)n3)cn2)cnc(N2C[C@H]3C[C@H]3C2=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQUYFWRKFWJAJB-VQIMIIECSA-N", "SMILES:Cc1cc(Cn2cc(NC(=O)c3nc(-c4c(C(F)F)ccc(Cl)c4F)cnc3C)cn2)cnc1N1C[C@H]2C[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLSJFXDVAAQJQ-GERZZCHPSA-N", "SMILES:Cc1ncc(-c2c(C#N)ccc(Cl)c2F)nc1C(=O)Nc1cnn(C(C)c2cnc(N3C[C@H]4C[C@H]4C3=O)c(F)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AESNDDHBSPWNAX-QTLYGJNZSA-N", "SMILES:COc1c(N2C[C@H]3C[C@H]3C2=O)ncc(C(C)n2cc(NC(=O)c3cncc(-c4c(C(F)F)ccc(Cl)c4F)n3)cn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEIOTHWOLEZKV-DTLKIFBZSA-N", "SMILES:Cc1nc(C(C)n2cc(NC(=O)c3nc(-c4c(C(F)F)ccc(Cl)c4F)cnc3CO)cn2)cnc1N1C[C@H]2C[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAICGYJCCFAMHG-JDQGPONISA-N", "SMILES:Cc1cc(C(C)n2cc(NC(=O)c3nc(-c4c(C(F)F)ccc(Cl)c4F)cnc3CO)cn2)cnc1N1C[C@H]2C[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNNLALAKVYCIRQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CNC1)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBANDWMPUTQLM-MRXNPFEDSA-N", "SMILES:O=C(NCCN1CC[C@@H](F)C1)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBANDWMPUTQLM-INIZCTEOSA-N", "SMILES:O=C(NCCN1CC[C@H](F)C1)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDPIGJFRLSDJHG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JURVYRCHCAKIQC-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRKGQXHMYKLWGS-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXJAITYXUIRBHQ-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTZMFHCPGBDKSG-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cccn2c(=O)c3c(ccc4cnncc43)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYGRZGUFWCNCCR-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABJGXSHLAAPWHR-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cccn2c1nc1cc3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYFJYQKDZUMATQ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cccn2c1nc1cc3ccccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUKQEHMVLGRWGN-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1c(O)ccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIKZQMWNBSDPDJ-UHFFFAOYSA-N", "SMILES:COc1cc2nc3c(C(=O)NCCN4CCCC4)cccn3c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVRVKNYPDQRPX-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3c(C(=O)NCCN4CCCC4)cccn3c(=O)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAWEWPBPHBJKE-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cccn2c(=O)c3cc4c(cc3nc12)OC(F)(F)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUUWKMLMYLFWOR-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cccn2c(=O)c3cc4c(cc3nc12)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDDOSFGRXSJQCV-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cccn2c(=O)c3cc4c(cc3nc12)CCCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUSDEFZRADTJAG-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cccn2c(=O)c3cc4c(cc3nc12)OCCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMUZKYFDDSVKHZ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCSCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEJRMSNRVRQAR-UHFFFAOYSA-N", "SMILES:N#CC1CCN(CCNC(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPMGFGNEGCLOZ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCC(O)(O)CC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFYOQLAJPBRVOH-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCC(F)CC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQOLSOGRAATZGZ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCC(F)C1)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBASVNOFLBZTD-UHFFFAOYSA-N", "SMILES:CC(C)N1CCCCC1CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKDATSDVHBPGD-UHFFFAOYSA-N", "SMILES:CCN1CCCCC1CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUAXNSUEKKLNA-UHFFFAOYSA-N", "SMILES:CN1CCCC1CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BACAFWUTNOGATK-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCCC1)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOZYTOLBGKODSC-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCC(CO)N1)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDAKENACFZAMQB-UHFFFAOYSA-N", "SMILES:CN1CCOCC1CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORPUQUERNOFFJ-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12)C1CCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLGXMOAPVHDTC-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCCN1)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUAJLPWZXMONNS-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCN1)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTAFSEJFKCZGEE-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEGSHTFUWUOCNO-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGOSSLWIVVRRDE-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cccn2c(=O)c3ccc4ccccc4c3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILGKICYVDVCLZ-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2cccn3c(=O)c4ccc5ccccc5c4nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYCHIADUDGUNU-UHFFFAOYSA-N", "SMILES:Cc1cnc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1C(=O)N1CCC2c3ccccc3OC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEAKWXBVKAITEL-UHFFFAOYSA-N", "SMILES:Cc1cnc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1C(=O)N1CCC(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJJWBSGHXTNOR-UHFFFAOYSA-N", "SMILES:Cc1cnc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1C(=O)N1CCC2c3ccc(F)cc3OC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOIRIERJGIOJRT-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CCN(C(=O)c2cc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLSBTECHAPCULG-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc(C(=O)N2CCC(C(C)(C)C)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLCUWJLAGNYPMI-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc(C(=O)N2CCC(c3ccccc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTNRKNGEVHXRPM-MWRLJSDOSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZMLCNFPXSSGGD-BWWOMUTMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHTXRKYKSWDTRG-FQEVSTJZSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVNSNCSGKMVGSM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4F)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSACPRRGVARJC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc3ccn(Cc4cccc(F)c4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRRQDQMVTVMHN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-n2ccc3cnc(Nc4cnn(CCCCCC(=O)NO)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIIPSHJEGRKPEI-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4F)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQPZPLZQAITXBL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-n2ccc3cnc(Nc4cnn(CCCCCCC(=O)NO)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYSICJTVLYLES-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(Cc4cccc(F)c4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNFLAWTBQKDRK-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(-c4ccccc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEPNOKSTCPQGJB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc3ccn(-c4ccc(Br)cc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDKNPWUVXBWEY-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc3ccn(Cc4cccc(Cl)c4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAKXCGFNHOIGDN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4Cl)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNXTZBPNJSYWKL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4Cl)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJHJYLRNHQHGV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(-c4ccc(F)cc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVWBSFTXGIQWGB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAGFGGHWUMKNA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(Cc4cccc(Cl)c4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSSQMXDNNSWKPH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(-c4ccc(Cl)cc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJVXEVAPVFJHLM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYYHOJNSMYMRA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(-c4ccc(Br)cc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWBSSZJHGJHEB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(CC4CCCCC4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHCYSHGBVXNLA-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccc3cnc(Nc4cnn(CCCCCC(=O)NO)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXHJTBXNJUQCX-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccc3cnc(Nc4cnn(CCCCCCC(=O)NO)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQYLSDNQNWKPRD-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2nccc(-c3cc(F)cc(F)c3)n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCLXOMRPPTSOG-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2nc(Nc3cccc(Cl)c3)c3ccccc3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZWIZPQLSBJBS-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(C4CCCC4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFYPYSOOJAFBU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(CC4CC4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQJHARHGDVDJE-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3cnc(Nc4cnn(CCCCCCC(=O)NO)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXJBQKIXNYKHR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc3ccn(CCc4ccccc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVGKOOPZPOCIJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc3ccn(Cc4ccc(F)cc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGASANSPLMBMNI-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3cnc(Nc4cnn(CCCCCC(=O)NO)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRRCNXZKHPIMGC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(CCc4ccccc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIDGKWQEAPXBF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc3ccn(Cc4ccc(F)cc4)c3n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHRDWOOGPTZPGD-RKBNTCOGSA-N", "SMILES:CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFDVRHANUQCAV-MDYKADOQSA-N", "SMILES:CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLAAXGAAEWLCAE-YNWFVEANSA-N", "SMILES:CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKHWYVWHZQWKQ-ROLZWKQRSA-N", "SMILES:CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVHCYAIJPRTCM-GXPRHQJDSA-N", "SMILES:CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPVGAEUHQZBYRI-VKPZIYMTSA-N", "SMILES:CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJKXGKKLZFKOFH-AMNDPQNWSA-N", "SMILES:CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFINBOKPKYVHJN-VBIMAARKSA-N", "SMILES:CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOATSFBFZGTHQ-PWLYXOBOSA-N", "SMILES:CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWGHKBXAXKDEBJ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSUGMPLWWDHBW-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYBFJJUKUKOTOQ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONVYJSHGSZBQY-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZJUDKEIASPAM-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIAVNVUXSGPKDT-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRCWURZHUDSIO-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKKCVQIQSBADX-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCCCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVJALPMAXFAUEB-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCCCCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCKFGSIHZHVNA-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)N(C)C4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSMNQZZPPLGEIM-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3661115", "category": ["biolink:ChemicalEntity"], "name": "TAS-116", "xref": ["InChIKey:NVVPMZUGELHVMH-UHFFFAOYSA-N", "SMILES:CCc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21"], "synonym": ["Pimitespib", "Pimitespib", "Tas 116", "Tas-116", "TAS-116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZFOKSPOWYUHM-UHFFFAOYSA-N", "SMILES:CC(C)c1n[nH]c2nccc(-n3cnc(-c4cccnc4)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEUNLIDRFFKFN-UHFFFAOYSA-N", "SMILES:CC(C)c1n[nH]c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWEQWORVAPXCLJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2nccc3c(-n4cnc(-c5ccccc5)c4)ccnc23)cc1NC1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXBGZMYAZXUHNH-CEMLEFRQSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCN=[N+]=[N-])CCCC3)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBIZFCCWZEOOU-MISYRCLQSA-N", "SMILES:CC(C)(CCCCCCN=[N+]=[N-])c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVEVPDCVOXJVBD-MISYRCLQSA-N", "SMILES:CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHLWVOXZENUVRX-YMPZKCBVSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCCN=[N+]=[N-])CCCC3)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIYJYHFBBXSBF-HMXCVIKNSA-N", "SMILES:CC(C)(CCCCCCN=C=S)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKFXGKZYGRMOX-YMPZKCBVSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCN=C=S)CCCC3)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZISWEVVTOFFNK-GMKZXUHWSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCCN=C=S)CCCC3)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGSAQGJQMKOTAG-HMXCVIKNSA-N", "SMILES:CC(C)(CCCCCCC#N)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUUVQTMUEVFQHL-YMPZKCBVSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCC#N)CCCC3)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBPFBHIAMXJAI-GMKZXUHWSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCCC#N)CCCC3)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEGCVASZZQWAST-YMPZKCBVSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCCN=[N+]=[N-])CCCC3)cc(O)c2[C@@H]2C[C@H](CN=[N+]=[N-])CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHCVJTKFQLOGEN-QLBJFCOMSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCCN=C=S)CCCC3)cc(O)c2[C@@H]2C[C@H](CN=C=S)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPUKHGFRSGVPA-GMKZXUHWSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCCC#N)CCCC3)cc(O)c2[C@@H]2C[C@H](CN=[N+]=[N-])CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBGBXDAICIPJA-QLBJFCOMSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCCC#N)CCCC3)cc(O)c2[C@@H]2C[C@H](CN=C=S)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL124345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUJWBVGOOQHTTJ-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNAVXUQOZNYRNP-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)nc(SCc2ncc[nH]2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPHNPGHZMKQGS-UHFFFAOYSA-N", "SMILES:Nc1nc(SCc2ncc[nH]2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVKLVVDRZDUDB-UHFFFAOYSA-N", "SMILES:N#Cc1c(SCc2ncc[nH]2)nc(N)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWGXHARBQIAHQP-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)cc(SCc2ncc[nH]2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDIJWMVTYZIEQU-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)cc(N)nc1SCc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLXNCLIBKISFPH-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccccc2)cc(SCc2ncc[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1542875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMOQRVDPVYAPFP-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCN(c3nc4nonc4nc3NC3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRBYOTSWEJDNOE-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPLPRYLDBSRPK-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHJDUNHFLKSMLO-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHUWDKCXHSVEJ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLQUNLPDMIGEG-UHFFFAOYSA-N", "SMILES:Fc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHODCOCJSTWGOC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRJUZVAOHUELSK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc2nc(NC3CC3)c(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSOIWVDPXJQPS-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cl)c(CN2CCN(c3nc4ccncc4nc3NC3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTQXRRYWHBJRW-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cl)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZEKFAIEHFMLBA-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cl)cc1CN1CCN(c2nc3cnccc3nc2NC2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVMHHYNRPQUIZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(F)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4598390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQURRFMFHGHBTQ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDNIRGKXRYOTKD-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(NC3CC3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSVMOTYTXCRGFQ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2ccncc2nc1N1CCN(Cc2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCGAMLBRDXJFJF-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(NC3CC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLXCSIHLXLDPB-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2cc(C#N)ncc2nc1N1CCC(Oc2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POURVRUOWXYLQO-UHFFFAOYSA-N", "SMILES:CC(=O)N1C=Cc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMUGVOLVSOZKDQ-UHFFFAOYSA-N", "SMILES:CCC(=O)N1C=Cc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXEPGHQEFMQIRP-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2c(nc1N1CCN(Cc3ccc(F)cc3F)CC1)C=CN(S(C)(=O)=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZHFXWSUAVCDNU-UHFFFAOYSA-N", "SMILES:CC(=O)N1C=Cc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPWZSCQYUJKMV-UHFFFAOYSA-N", "SMILES:CC(=O)N1C=Cc2nc(NC3CC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFSHDKAKVCTDM-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)C=CNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPBRCXMBJUONB-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)C=CN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUCQMNWFBNCEZ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)C=CN(S(C)(=O)=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHRUSLVZZZTJDV-UHFFFAOYSA-N", "SMILES:COC(=O)N1C=Cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBIWPYCLTUXDP-UHFFFAOYSA-N", "SMILES:CC(=O)N1C=Cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC3CC3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWUPOBWZOCAFFY-UHFFFAOYSA-N", "SMILES:CC(=O)N1C=Cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIQIHYANPYDABS-SNAWJCMRSA-N", "SMILES:O=C(NO)c1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOMXKUTPIXRRB-CMDGGOBGSA-N", "SMILES:O=C(NO)c1cccc(/C=C/c2ccnc(-c3ccccc3O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGKKGRCWLFYQQB-OWOJBTEDSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVBYWZUEUNVKU-AATRIKPKSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDJNDIGSGAGDJJ-VOTSOKGWSA-N", "SMILES:COc1ccccc1-c1cc(/C=C/c2ccc(C(=O)NO)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHEVWCHNZDAFNP-SNAWJCMRSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2ccnc(-c3cccc(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGTSPZALNZIJOM-SNAWJCMRSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2ccnc(-c3cccc(CO)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFWXHZWCVPTON-ONEGZZNKSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2ccnc(-c3cccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNXWWYNXWSBMK-SNAWJCMRSA-N", "SMILES:Cc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSCYJUDKNTYLK-NSCUHMNNSA-N", "SMILES:COc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKITWJAPVHRAX-ONEGZZNKSA-N", "SMILES:Cc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)ccn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYAZQUMKVCGPBV-CMDGGOBGSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2cccc(-c3ccccc3O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PADLTQZREGKSNE-BQYQJAHWSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2cccc(-c3cccc(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZYCWYJTPKJHJD-SNAWJCMRSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2cccc(-c3cc(F)ccc3O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRSGMLGLYISWBW-OWOJBTEDSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2ccnc(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPQZRZMRZIBNIC-OWOJBTEDSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOAWFEZESIGDKM-OWOJBTEDSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2ccnc(-c3ccsc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCKYGRNENJYQPL-ONEGZZNKSA-N", "SMILES:Cc1ccc(-c2cncc(/C=C/c3ccc(C(=O)NO)cc3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGIYNXXHSYNSIQ-AATRIKPKSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2cncc(-c3ccccc3O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVUVHSFPCZHJB-NSCUHMNNSA-N", "SMILES:COc1ccc(F)cc1-c1cncc(/C=C/c2ccc(C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOFBGRDWYJMEJ-VMPITWQZSA-N", "SMILES:Cc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)c(F)cn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFLQRBHSRGIMC-OWOJBTEDSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2ccnc(-c3ccc(C(F)(F)F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJTLKLNVMZMOKK-IZZDOVSWSA-N", "SMILES:Cc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)c(F)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSDMMZNFXXMWET-ZZXKWVIFSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2cc(-c3ccc(C(F)(F)F)cc3)ncc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFCMONICSRKSM-HULFFUFUSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVWHVYCUKQCRA-SNAWJCMRSA-N", "SMILES:Cc1ccc(-c2cncc(/C=C/c3ccc(C(=O)NO)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCINOBZMLCREGM-ISDLZHGDSA-N", "SMILES:Cl.Cl.N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJXIGJVSYVNFBK-UHFFFAOYSA-N", "SMILES:S=C=NCCCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWUKBGQJDNDPN-UHFFFAOYSA-N", "SMILES:[Se]=C=NCCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESZNGMDDFKRPH-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQIIIICIPTXOQC-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIOWHYHQVBQBBU-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CCC(=O)Nc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPFQMDJRJAPSSH-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTPAZDOHWRHEMS-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPAMWJFOROLHQH-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLYGXMZPPJTII-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOURXAPHGWOWFT-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMUDLIQJKZUZCU-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRSTYYUBSVOIMN-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(Br)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1602435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFIOMLJAUUEHIM-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDJAJYFXCBMBU-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQVTCXZQBZBDN-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXJRNYFFLUPMC-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFXICEVOMNRSBI-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPZZYLMEJOKPW-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDMEDDTTOUNCW-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUZAPGJNANFHTF-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBWIGBOHHTWQK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCAYLFFJXFHGQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1557165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTOFHGMVWAJYMB-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILVNNMOVPPCHLU-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGOMNLMIXONWQJ-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUUCBKSBSQKCF-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIRXJIPZZFSDOC-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAJUQJLKLWPSNR-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZLBFNIQZNZKF-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNOITEBPBCINOM-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1333087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKBUIFCHQMMQY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBKZVWDISGMJO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXANZPZEDKFQMN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBKXNFRPLXFBBH-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJEHJIGKNTYEBZ-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(-c3nonc3N)n(CC(=O)Nc3ccc4ncccc4c3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVLUVLUXVCBMKW-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(-c3nonc3N)n(CC(=O)Nc3cnc4ccccc4c3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQSIBXDEXJAPIZ-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(-c3nonc3N)n(CC(=O)Nc3cccc4ccccc34)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUWPTDHMMDFWNA-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(-c2ccoc2)nc2ccccc21)Nc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHFADLRRZXRYAV-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXFZTRACCURAI-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21)Nc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYYJUISEDYALTK-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1nc2ccccc2n1CC(=O)Nc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAVAZEWYWCZBAK-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CCCCC(=O)Nc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKAGJZAPUHQEDX-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPFYBEJJCBZJHD-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHQDCHUHCBEGAW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKJIZIXXKVIQG-UHFFFAOYSA-N", "SMILES:Nc1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIHIQSKZILUBG-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHWZFTXLRDUADD-WSAILGMDSA-N", "SMILES:COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOQXHOZXTKXXQZ-DZRFEFHFSA-N", "SMILES:COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OCCCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDMSNQMAKINVRD-WKFUTDLLSA-N", "SMILES:COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OCCCCCCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJJFUQKKZFVLH-YBVMPXGUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)(S)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URBJOVPYKWGDEJ-LNAOLWRRSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](Nc5ccncn5)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRKAZINFJRGVKI-RJWKMHJFSA-N", "SMILES:Nc1cc(N[C@H]2C[C@@H]3OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(=O)[nH]c(N)nc65)[C@H](OP(=O)(O)OC[C@H]3O2)[C@@H]4O)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMPCLKWKRLCHJD-LNAOLWRRSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](Nc5ncnc6ccnn56)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRNRAVOVFCZRH-CWJIUAMNSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](Nc5ncncn5)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSGSTGFTAKQYQM-PXXBVHOGSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](Oc5ccncn5)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTQRUTOOBVHPEP-WHFPJXDESA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](Oc5ccccn5)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQASYKFWGLBUJZ-PXXBVHOGSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](Oc5cnccn5)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMOTMRUCJLREW-JRJMFNQJSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](Oc5cnsn5)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJHOSYLPZBMEZ-FEFYGENMSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(S)O[C@H]4C[C@H](Nc5ccncn5)C[C@@H]4CO[P@@](=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKBZTYSLUEHAP-FEFYGENMSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(S)O[C@H]4C[C@H](Oc5ccncn5)C[C@@H]4CO[P@@](=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZUSNKSGVUYSMK-BPOTWFKHSA-N", "SMILES:Nc1nc2c(nnn2[C@@H]2O[C@@H]3COP(=O)(S)O[C@H]4C[C@H](Oc5ccncn5)C[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIASTFOSARABBU-KWODUMNSSA-N", "SMILES:O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(S)O[C@H]3C[C@H](Oc4ccncn4)C[C@@H]3COP(=O)(S)O[C@@H]1[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JERWXQCLSXBDEU-BVRGIUQKSA-N", "SMILES:Nc1nc2c(ccn2[C@@H]2O[C@@H]3COP(=O)(S)O[C@H]4C[C@H](Oc5ccncn5)C[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLGXUISDPAPNR-DQIBQISXSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(S)O[C@H]4C[C@H](Oc5ccncn5)C[C@@H]4COP(=O)(S)O[C@@H]2C3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPRPXKJEQSGPAD-OABFTLAQSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(S)O[C@H]4C[C@H](Oc5ccncn5)C[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJLZIKQFHEQOK-CZQZYHMKSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(S)O[C@H]4C[C@H](Oc5ccncn5)C[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3OCC(F)(F)F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBTGHBHVPPFXTL-OMXPKPSISA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(S)O[C@@H]4[C@@H](COP(=O)(S)O[C@@H]2[C@@H]3O)C[C@@H](Oc2ccncn2)[C@@H]4F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJHOSYLPZBMEZ-RQZVYQJZSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(S)O[C@H]4C[C@H](Nc5ccncn5)C[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKBZTYSLUEHAP-RQZVYQJZSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(S)O[C@H]4C[C@H](Oc5ccncn5)C[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEBKIEPFQXEEGQ-YBFXNURJSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPVWJGTRGSJEM-VXLYETTFSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZXUDKIXIBVQCU-RGVLZGJSSA-N", "SMILES:Cc1ccc(NC(=O)COc2ccc3cc(/C=C4/SC(=O)NC4=O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGFPWJALLMAFT-RGVLZGJSSA-N", "SMILES:COc1ccc(NC(=O)COc2ccc3cc(/C=C4/SC(=O)NC4=O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWYZZJNJDFOHHK-DJKKODMXSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNNJRMYRBULSQF-DJKKODMXSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVIRQPXVDAKYJH-KEBDBYFISA-N", "SMILES:COc1cccc(NC(=O)COc2ccc3cc(/C=C4/SC(=O)NC4=O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPBCSPXMAZOKZ-UFWORHAWSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBAPRGNDRKQXHC-NGYBGAFCSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1c(F)cc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTBCUOZNCNIKB-MFKUBSTISA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJUEWPAMZQNST-UFWORHAWSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVYVATCIVXIUCL-KEBDBYFISA-N", "SMILES:Cc1cc(Br)ccc1NC(=O)COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLJZGIMAOMHANO-LICLKQGHSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYJJUCOAYOSRKI-VCHYOVAHSA-N", "SMILES:Cc1cccc(NC(=O)COc2ccc3cc(/C=C4/SC(=O)NC4=O)ccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBKXKIGCMXKNTC-VXLYETTFSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKAZSLMSGRZFFC-KPSZGOFPSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1cc(Cl)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWQVHMBWIVBNF-VXLYETTFSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFAYPWCMGURCSZ-UFWORHAWSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUFIBHNEQBFWHY-CXUHLZMHSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1cccc(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLGXCHSVLXYDY-LZYBPNLTSA-N", "SMILES:Cc1cc(NC(=O)COc2ccc3cc(/C=C4/SC(=O)NC4=O)ccc3c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRYSSOYGWNQTEE-AWQFTUOYSA-N", "SMILES:Cc1ccc(NC(=O)COc2ccc3cc(/C=C4/SC(=O)NC4=O)ccc3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJIHQWXMKUJYSJ-UFWORHAWSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc(Br)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYQTWZLKOHLGIY-VXLYETTFSA-N", "SMILES:O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHUAWJKZVUHRNQ-VXLYETTFSA-N", "SMILES:Cc1cccc2sc(NC(=O)COc3ccc4cc(/C=C5/SC(=O)NC5=O)ccc4c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBSDHIUZKGBOSD-UFFVCSGVSA-N", "SMILES:CCOc1ccc2nc(NC(=O)COc3ccc4cc(/C=C5/SC(=O)NC5=O)ccc4c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSBBVCLWMCGNY-UHFFFAOYSA-N", "SMILES:O=C(NO)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIRFWMKGFFXMC-NTEUORMPSA-N", "SMILES:O=C(CN1C(=O)S/C(=C/c2ccccn2)C1=O)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBGUHPXVNINFZ-ODLFYWEKSA-N", "SMILES:O=C(COc1ccc2ccccc2c1/C=C1\\SC(=O)NC1=O)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUTUHTLBEJPJOI-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2c(O)c(O)ccc2c2ccc3cc4c(cc3c21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZNOEPBSCZGQT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(=O)n(CCN(C)C)c1c3ccccc3ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQQWYLYBHORBKV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)n(CCN(C)C)c3c4ccccc4ccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLWOGBSIXZNAC-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc3c(cc2c2ccc4ccccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIGWJOUMJTWTHX-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc3c(cc2c2ccc4cc5c(cc4c21)OCO5)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYPGCQPFGTEKQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(ccc3c4cc(OC)c(OC)cc4c(=O)n(CCN(C)C)c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIMWYWDTLKDJQ-UHFFFAOYSA-N", "SMILES:COc1cc2c3ccccc3c(=O)n(CCN(C)C)c2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOEANQDLXROGRY-UHFFFAOYSA-N", "SMILES:COc1cc2ccc3c4ccccc4c(=O)n(CCN(C)C)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDCMNGWQAOTPF-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFKWINDTQSOCAX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1O)c(=O)n(CCN(C)C)c1c3cc4c(cc3ccc21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMNTTYNRROXWTB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)c(=O)n(CCN(C)C)c1c3cc4c(cc3ccc21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDBAGUQLAYUHT-UHFFFAOYSA-N", "SMILES:COc1cc2ccc3c4cc5c(cc4c(=O)n(CCN(C)C)c3c2cc1OC)OCO5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYAKTTFWPUIVGH-UHFFFAOYSA-N", "SMILES:COc1cc2ccc3c4cc(OC)c(OC)cc4c(=O)n(CCN(C)C)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDFBRHNEJOWBI-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2ccccc2c2ccc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGBYVPMMONRHDI-UHFFFAOYSA-N", "SMILES:COc1cccc2c1ccc1c3ccccc3c(=O)n(CCN(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSWXYTCIQADPSI-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2ccccc2c2ccc3cc(Br)ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVOLXDPAKKEAF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(ccc3c4ccccc4c(=O)n(CCN(C)C)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDXBMQSNPRGJQ-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc3c4ccccc4c(=O)n(CCN(C)C)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAWGECLFNBJXKG-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc(O)ccc2c2ccc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPQQYNMGOSZLL-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2ccccc2c2ccc3cc4c(cc3c21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOXULXGWDZRKPI-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2c3c(ccc2c2ccc4ccccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFBOFSCWENTWAK-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc(F)c(F)cc2c2ccc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLZQEKPDYCWCPC-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCN(C)C)c3c4ccccc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQQCJAIZMANJN-UHFFFAOYSA-N", "SMILES:COc1cccc2c1c(=O)n(CCN(C)C)c1c3cc4c(cc3ccc21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTWYDFFVZXKUHY-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc(F)ccc2c2ccc3cc4c(cc3c21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VODDMCUTWBSIJM-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc([N+](=O)[O-])ccc2c2ccc3cc4c(cc3c21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPEOFUUAEXGHCY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(=O)n(CCN(C)C)c1c3cc4c(cc3ccc21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVUEQIDXMATPR-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2ccc(F)cc2c2ccc3cc4c(cc3c21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDADLMHDOXEIH-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2ccc(Cl)cc2c2ccc3cc4c(cc3c21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNEXRWJSIFNUAG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ccc3c2c1)OCO5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQXGPMUPWZOUKH-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2ccc(C(F)(F)F)cc2c2ccc3cc4c(cc3c21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEBNWZOUNPLFQ-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc(F)c(F)cc2c2ccc3cc4c(cc3c21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYRIZIUPFZCPL-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ccc3c2cc1OC(C)C)OCO5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKSOKIBGGWHLPL-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ccc3c2cc1O)OCO5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAAWJBIBSISVLS-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(=O)c2cc(O)c(O)cc2c2ccc3cc4c(cc3c21)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHCEUJILQSZKZ-UHFFFAOYSA-N", "SMILES:COc1cc2ccc3c4ccc5c(c4c(=O)n(CCN(C)C)c3c2cc1OC)OCO5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLHWMKZYWNVPY-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(CCN(C)C)c3c4cc(O)c(O)cc4ccc3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPLVEFPXYUJTQJ-MHZLTWQESA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(c2)C(F)(F)C[C@@H]3N2CCN(C)CC2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYEWOJDPFQGQBP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDPSFUGGTXNPG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFGHSVWYEBSQBS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAMLVCQKSSPFSI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIICWWSMQWRBMV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)Nc2cccc3ccccc23)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHBCUNRDFHVHG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)Nc2cccc3ccccc23)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQJWZPKSNPYPG-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFLUKYHYXIBFN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZTPNBVWBLYMPI-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLGKQAVFOOLYNJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1608279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFGYUFFWXLHOI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(N=C(S)Nc2ccccc2)sc2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKYFPPJAWFYSHA-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNMKBUDNEJQCHB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQVSMUSWGKKVEU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSRZSDKWRMQECX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1522109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRYUTAQBUMKMQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(N=C(S)Nc2ccc(F)cc2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICLLORKIBGTLS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYHCDPLPQMACX-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=S)Nc2ccc(C(F)(F)F)cc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFCPRFENTZVDH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(C(F)(F)F)cc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXNRXJVYJEYQP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2ccc(-c3ccccc3)cc2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFZFKDLZWUXMM-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODTQTBUTSJRSJX-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNJSWRZJLCYAS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEMJXBONGJHACU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZZESAVRYDAQN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEOOWPBVFOYDAK-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPOOEJRFBYDPLZ-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVEDAPAOJZAOGK-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVLPCAXRSIEJG-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBOSATIONMYWFD-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRGDBRZYFKFAJY-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBMGGGDHJNOWAP-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORXACKADUWCAZ-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1c(NC(=S)Nc2ccc(Br)c3ccccc23)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTXXRIXEAOYBO-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1c(NC(=S)Nc2ccc(Br)c3ccccc23)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPIZCURGUHTZEV-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1c(NC(=S)Nc2ccc(F)c3ccccc23)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEZUBHQPIPQJF-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1c(NC(=S)Nc2ccc(F)c3ccccc23)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAICLNXJPPIDKY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2c1CCC(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYLZBRNJMEKOW-UHFFFAOYSA-N", "SMILES:CC1CCc2c(sc(NC(=S)Nc3cccc4ccccc34)c2C(=O)OC(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSASZAUFRUOUIN-UHFFFAOYSA-N", "SMILES:CNCc1ccc(Cl)c(-c2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNZKMXOYJBDBSR-UHFFFAOYSA-N", "SMILES:CCNCc1ccc(Cl)c(-c2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLJQCPGPBYWFX-UHFFFAOYSA-N", "SMILES:CCCNCc1ccc(Cl)c(-c2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKQCAZLGEGUDLP-UHFFFAOYSA-N", "SMILES:CCCCNCc1ccc(Cl)c(-c2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROYHNLGVCIQOI-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(CN(C)C)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZUXIPREWBYRJ-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(Cl)c(-c2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXZLWDMMDSHACB-UHFFFAOYSA-N", "SMILES:CNCCc1ccc(Cl)c(-c2ccccc2OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOXLJQRLIFVCQ-UHFFFAOYSA-N", "SMILES:CCNCCc1ccc(Cl)c(-c2ccccc2OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYZBESMYSKJSRB-UHFFFAOYSA-N", "SMILES:CCCNCCc1ccc(Cl)c(-c2ccccc2OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MILNGRIOFATLCK-UHFFFAOYSA-N", "SMILES:CCCCNCCc1ccc(Cl)c(-c2ccccc2OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBZITZYOZCKXED-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(CCN(C)C)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLRMORAXFGAGTG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCc1ccc(Cl)c(-c2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOJLDPRGTSPRBT-UHFFFAOYSA-N", "SMILES:CCCN(CCC)CCc1ccc(Cl)c(-c2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALRBWNXPNRLJKC-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(C2CCNC2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLWANLDQKRYQY-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(C2CCN(C)C2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFUWRMRKXKCSPL-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cccc(CCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLEOKEKDZHOOHG-UHFFFAOYSA-N", "SMILES:CCCN(CCC)Cc1ccc(Cl)c(-c2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJPBGDUYKEQLA-NEPJUHHUSA-N", "SMILES:COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5090710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVNXMFHIFAREF-UHFFFAOYSA-N", "SMILES:COc1c2c(cc(C(=O)NCc3ccccc3)c1-c1ccc(N(C)C)cc1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMUZUCWGHCKTIY-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2c(C(=O)OC)cc3c(c2OC)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPHYLGLRQPHZIG-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(c(OC)c1-c1ccc(N(C)C(=O)c3ccccc3)cc1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEGRSBAGVUIMN-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(c(OC)c1-c1ccc(N(C)S(=O)(=O)c3ccccc3)cc1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHWWVDGYJHWLD-KULFAVDPSA-N", "SMILES:COC(=O)c1cc2c(c(OC)c1-c1ccc(N(C)C(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBOHMYNNSSXNZ-FQEVSTJZSA-N", "SMILES:Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2)C3)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGBBKHZPLYEMN-IBGZPJMESA-N", "SMILES:Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJLWVTZSDBXNKW-IBGZPJMESA-N", "SMILES:Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(C2=CC(=O)OC2)C3)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKLZGZLAIKNUEF-NRFANRHFSA-N", "SMILES:Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)CC2)C3=O)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDAIMYGCILCZSH-FQEVSTJZSA-N", "SMILES:CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPYVSHGPFPSMP-MBABXSBOSA-N", "SMILES:Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2C)C3=O)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSHQDZORAPFOU-NRFANRHFSA-N", "SMILES:CCC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRNOJKVAIOJTK-SFHVURJKSA-N", "SMILES:Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=C(Cl)C(=O)OC2)C3=O)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAUQZACNNXSYJN-FZCLLLDFSA-N", "SMILES:CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)C(C)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWBLSDFIPRYII-QFIPXVFZSA-N", "SMILES:CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZQBZFYKKVFELZ-YNNZGITBSA-N", "SMILES:CC1=C(N2C(=O)C3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)CC2C)COC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3696475", "category": ["biolink:ChemicalEntity"], "name": "MK-7145", "xref": ["InChIKey:OCKGFTQIICXDQW-ZEQRLZLVSA-N", "SMILES:Cc1c([C@@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O"], "synonym": ["Mk-7145"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3622105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNUMSXVKMRFWBM-QFIPXVFZSA-N", "SMILES:Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C#N)cn2)C3)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJMKKDFKLQCQL-KRWDZBQOSA-N", "SMILES:COc1nsc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)n1"]}
{"name": "ATP-sensitive inward rectifier potassium channel 1", "xref": ["CHEMBL.TARGET:CHEMBL2146350"], "id": "UniProtKB:P35560", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVPMJJSSIKMNU-WVLWANPTSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCC(=O)NC(COCc1cn(CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)nn1)C(=O)NCCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQNJLNLUAYSBN-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)NC(Cc1ccc(OCc2cn(CCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)cc1)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBSYLOYGCGHZBH-KOSHJBKYSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CCc1ccc(O)c(OC)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGULSMODZIAKN-CLOONOSVSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CCCc1ccc(O)c(OC)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHPJQSKJHJSDE-DCURZTGUSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(OC)c(OC)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYAMVMQJQONME-BSEKSCOCSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKAERNZLFNOIT-WKZIBFJNSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(N)cc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPCDDKJKQIIWIE-SBJGAUOOSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(C(C)C)cc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBURATIUAJMATB-WKZIBFJNSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKJWBNACBSBGAL-FBFJCBDHSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C1CC1c1ccc(OC)c(OC)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYCFJHUGVWENJB-QAWQHFAHSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C1CC1c1ccc(O)c(OC)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBWDPMYVXQULW-UGBDLMATSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBWDPMYVXQULW-XHDSLABCSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAELSVPRARJZTC-GGBAQWBSSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSSUEIDPXVXASN-CFMJQPPZSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHWCNAARSDWKS-ANKZKROLSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)[C@@H](C)O)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNPOYHWXQPREH-NYDMZULMSA-N", "SMILES:CCOC(=O)[C@@H](CCC(=O)NC(CCCCN)C(=O)OC)NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOAHMGFSLPCPP-OFJNIBLLSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C)C(=O)OCC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQPZZLULRBHFNW-FJQRSJHESA-N", "SMILES:CCNC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C)C(=O)NCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJQMRQRVFAIIDK-QGHCIYLGSA-N", "SMILES:CCCCNC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C)C(=O)NCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAEXXXAOGUPYGP-BURONCOTSA-N", "SMILES:CCCCNC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYAJTNDASUTPFR-FJQRSJHESA-N", "SMILES:CONC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDQOMZFJWBPRK-DCURZTGUSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)N(C)OC)C(=O)OC(C)(C)C)C(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXPQNOKHSOXPBN-PZWZVMLOSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)N2CCCC2)C(=O)OC(C)(C)C)C(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGQVSXIIPAWNJS-DCURZTGUSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)N(C)OC)C(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQUPZCAJZMHQT-PZWZVMLOSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)N2CCCC2)C(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKYPGBNEAXZCU-WNNXUTDWSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWOXYAUKDWVZSQ-TXUKNXKUSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OC2CCCC2)C(=O)OC2CCCC2)C(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPAQAUIYSNGZPX-XQTIKCFWSA-N", "SMILES:CCCCCCCCCCCCCCCCCCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(C)C)C(=O)OCCCCCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNPGHCSJGBZCIU-PZRXIHJQSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAFWTCAZQZOENI-GKEICKALSA-N", "SMILES:CCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAGCXFULMQZMW-HVBNMLRDSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPPCENKAHIRNBQ-KDZIYPKDSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OC2CCCC2)C(=O)OC2CCCC2)C(C)C)ccc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRHYWPYCAPCPGB-KMZCYJJDSA-N", "SMILES:CCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OC2CCCC2)C(=O)OC2CCCC2)C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCHVHIFBCRRHV-NNSDYGCPSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OC2CCCC2)C(=O)OC2CCCC2)C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJVLXNYLZLGRIV-RFLOUMJOSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)NCC(=O)N[C@@H](COCc2ccccc2)C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMDNUBQSCYBEN-IOJICBCXSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRALUQVBZGWTI-MKUYJVFGSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)[C@@H](C)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGBUROBGVSVRSX-INIZCTEOSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)[C@@H]2CCCN2)CC4)n1"]}
{"name": "Cyclic GMP-AMP synthase", "xref": ["CHEMBL.TARGET:CHEMBL4105728"], "id": "UniProtKB:Q8N884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBBILWUSSSLFC-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)C2CC(OC(F)F)C2)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSBXIOYDMJICI-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWCNWVCHVUDBOE-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CN)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYAFKZPUXSIIR-UHFFFAOYSA-N", "SMILES:CNCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(-c4ccn(C)n4)c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSVFJWBQVGWDK-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(-c4ccn(C)n4)c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPFAXHXXODQRO-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CO)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQXILLOJLATEF-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccc(Cl)c(Cl)c3[nH]2)c(O)c1C1OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRMMOZNQGIADC-UHFFFAOYSA-N", "SMILES:CC(=O)NCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(-c4ccn(C)n4)c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYRDJDNSIXZJR-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)CN)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMBOUBMVKYDDCC-SFHVURJKSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)[C@@H](N)O)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRUQDUIYXQYJQO-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)C(C)(C)N)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNVTZNVHDLHQE-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVAIPVWHFXDWCA-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)C2(N)CC2)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGKLVKSSLWVOJ-INIZCTEOSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)[C@@H](N)Cc2cc[nH]n2)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAPMRSSOFOUSDE-INIZCTEOSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)[C@@H]2CC(F)(F)CN2)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFOCCUYTVSGEO-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)CN2CCNCC2)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZDPINAQHQTPL-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)Cc2ccco2)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJEGHHSDTACIKA-UHFFFAOYSA-N", "SMILES:Cc1cc(CC(=O)NCC(=O)N2CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccn(C)n5)c4c3C2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSDREPYQOVXEQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(F)(F)C(=O)NCC(=O)N2CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccn(C)n5)c4c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMVOQLVCCRWPOW-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLXOQOWRTXGOG-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(Nc2ccc(Cl)cc2C=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDNSKBLJPNNKH-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(Nc2cccc(Cl)c2C=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXISWAUNDMCHBW-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(Nc2ccccc2C=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEJRNIHWASZTRN-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(Nc2ccc(C(F)(F)F)cc2C=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URJWPKRIWFUUQY-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(Nc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYGFKZQPFMAFMP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC23CN(C(=O)CO)CCC2=Nc2c3ccc(Cl)c2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVZCSQUWYSGQH-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSYWYBMVONPTF-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPVDVAJUSPCPNE-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(c2c[nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEWFGBKGLPWLT-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(c2c[nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRZFSLMMKNRSPT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C34CN(C(=O)CO)CCC3=Nc3c4ccc(Cl)c3Cl)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXFYVWCDQLFLFR-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(c2c[nH]c3cc(Cl)ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPHLIIFMLHHGCK-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(c2c[nH]c3cc(F)ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQPHVKHOHUERKY-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(c2c[nH]c3cc(F)cc(F)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMKZJNWJJHJNC-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)N1CCC2Nc3c(ccc(Cl)c3Cl)C2(c2c[nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRUACNQRWUCHKC-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2Nc3c(ccc(Cl)c3Cl)C2(c2c[nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZTOYRAOYAZFMD-KEHCIXGTSA-N", "SMILES:O=C(CO)N1C[C@H]2[C@H]3O[C@]4(Nc5ccc(Cl)cc53)c3ccc(Cl)c(Cl)c3N[C@]24C1"]}
{"name": "Cyclic GMP-AMP synthase", "xref": ["CHEMBL.TARGET:CHEMBL4523383"], "id": "UniProtKB:Q8C6L5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEXZPWWDMPKHNY-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1NC13CN(C(=O)CO)CCC21Nc1c3ccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCRZYNBICONWFA-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC12CN(C(=O)CO)CCC1=Nc1c2ccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXUXBBQQIKZNON-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)c2n[nH]c(-n3cnnc3)n2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHGTYMRDHDEHLI-HIFRSBDPSA-N", "SMILES:O=C(N[C@H]1CCCC[C@H]1C(=O)O)c1cnn2c(O)cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DATILFYUDSRBBK-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(N)nc(Nc2cc(F)c(I)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDFSTGSYHGEEV-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCc2[nH]c3c(Cl)c(Cl)cc(-c4cn[nH]c4)c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUOUIPXYFIWLE-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CO)CC4)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPVXVULNSJGIK-UHFFFAOYSA-N", "SMILES:CCCCCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJDYPRGNPKHEI-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1cc(C(=O)O)ccc1NCCCCCCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226345", "category": ["biolink:ChemicalEntity"], "name": "ADENINE", "xref": ["InChIKey:GFFGJBXGBJISGV-UHFFFAOYSA-N", "SMILES:Nc1[nH]cnc2ncnc1-2"], "synonym": ["Adenine", "Adenine", "NSC-14666"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL407391", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYLADENINE", "xref": ["InChIKey:BVIAOQMSVZHOJM-UHFFFAOYSA-N", "SMILES:CN(C)c1ncnc2nc[nH]c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL388593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHCPRYRLDOSKHK-UHFFFAOYSA-N", "SMILES:Nc1ncnc2[nH]ncc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5093047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJAJDULYKUREBF-UHFFFAOYSA-N", "SMILES:Cn1c(NCc2ccccc2F)c(C#N)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZVOLCSHYXGJQ-UHFFFAOYSA-N", "SMILES:Cn1c(NCc2ccccc2)c(C#N)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYIQRWXDIQNTRL-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccccc2)c(C#N)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLHMMMVKDNVCA-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cccc(F)c2F)c(C#N)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJKXSXZFHGLMP-UHFFFAOYSA-N", "SMILES:Cn1c(N)c(C#N)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVCXKTAKKJOBFG-UHFFFAOYSA-N", "SMILES:CN(C)c1c(C#N)c2c(N)ncnc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCQSHICNQSPNC-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCCC2)c(C#N)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCOXMFDDEKIJAR-MRVPVSSYSA-N", "SMILES:C[C@@H]1CCCN1c1c(C#N)c2c(N)ncnc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCOXMFDDEKIJAR-QMMMGPOBSA-N", "SMILES:C[C@H]1CCCN1c1c(C#N)c2c(N)ncnc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMJSDVHISWSPV-SSDOTTSWSA-N", "SMILES:C[C@@H]1CCCN1c1[nH]c2ncnc(N)c2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAJWIUCEYNBJM-MRVPVSSYSA-N", "SMILES:C[C@@H]1CCCN1c1cc2c(N)ncnc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCAXNFJUZAYAM-SSDOTTSWSA-N", "SMILES:C[C@@H]1CCCN1c1c(C(N)=O)c2c(N)ncnc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQUXXSOBKJAFI-SECBINFHSA-N", "SMILES:C[C@@H]1CCCN1c1c(C#N)c2c(N)nccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVXJOLSLINARG-SSDOTTSWSA-N", "SMILES:C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(N)nc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIQPTYOVZSTDB-SNVBAGLBSA-N", "SMILES:C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)nc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLGXZQPPWONZHF-SECBINFHSA-N", "SMILES:C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn[nH]c3)nc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGYJAJOWBWPKC-LLVKDONJSA-N", "SMILES:C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3ccn(C)n3)cc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAGIORTHSTASZ-GFCCVEGCSA-N", "SMILES:Cc1cn(C)nc1Nc1cc2c(c(N)n1)c(C#N)c(N1CCC[C@H]1C)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KROMNCNZWHBYKH-SNVBAGLBSA-N", "SMILES:Cc1c(Nc2nc(N)c3c(C#N)c(N4CCC[C@H]4C)n(C)c3n2)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCHVYOFMPDLIU-SNVBAGLBSA-N", "SMILES:Cc1nn(C)cc1Nc1nc(N)c2c(C#N)c(N3CCC[C@H]3C)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXRXXABELOQNQ-SECBINFHSA-N", "SMILES:Cc1n[nH]cc1Nc1nc(N)c2c(C#N)c(N3CCC[C@H]3C)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGCTDVHLUELBE-SECBINFHSA-N", "SMILES:C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(C)nc3Cl)nc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMCQJTRDERMTMZ-SECBINFHSA-N", "SMILES:C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(C)nc3C(F)(F)F)nc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQYDPXASLMVZNK-GFCCVEGCSA-N", "SMILES:Cc1nn(CC(C)(C)O)cc1Nc1nc(N)c2c(C#N)c(N3CCC[C@H]3C)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKXEJGGROBIHG-GFCCVEGCSA-N", "SMILES:Cc1c(Nc2nc(N)c3c(C#N)c(N4CCC[C@H]4C)n(C)c3n2)cnn1CC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSJPGDQCAAANFG-GFCCVEGCSA-N", "SMILES:Cc1nn(CC2(O)COC2)cc1Nc1nc(N)c2c(C#N)c(N3CCC[C@H]3C)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNUXLQJOPGNNC-GFCCVEGCSA-N", "SMILES:Cc1c(Nc2nc(N)c3c(C#N)c(N4CCC[C@H]4C)n(C)c3n2)cnn1CC1(O)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOLGLZIHIDPSGC-LLVKDONJSA-N", "SMILES:Cc1nn(C2COC2)cc1Nc1nc(N)c2c(C#N)c(N3CCC[C@H]3C)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIVCGSWGVTZKO-LLVKDONJSA-N", "SMILES:Cc1c(Nc2nc(N)c3c(C#N)c(N4CCC[C@H]4C)n(C)c3n2)cnn1C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRCPXFGLZXVTBM-PUODRLBUSA-N", "SMILES:Cc1nn(C2CCOC2)cc1Nc1nc(N)c2c(C#N)c(N3CCC[C@H]3C)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDVZPULRUJSBC-TZMCWYRMSA-N", "SMILES:Cc1c(Nc2nc(N)c3c(C#N)c(N4CCC[C@H]4C)n(C)c3n2)cnn1[C@@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDVZPULRUJSBC-OCCSQVGLSA-N", "SMILES:Cc1c(Nc2nc(N)c3c(C#N)c(N4CCC[C@H]4C)n(C)c3n2)cnn1[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAZVUUSCAWFJTP-UHFFFAOYSA-N", "SMILES:Cn1c(-n2cccc2)c(C#N)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMJWWPAAUFXTD-LLVKDONJSA-N", "SMILES:C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)cc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZYCAQSSCDSHA-SECBINFHSA-N", "SMILES:C[C@@H]1CCCN1c1c(-c2ncco2)c2c(N)ncnc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACMOMXFCHIQQJ-UEMWQVMZSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCC1)(c1cccc(F)c1)C1CCN(CC2(F)CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIAWNGIPPNVPIC-YSJNHPSYSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCC1)(c1cccc(F)c1)C1CCN(CC2(C)CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLEQKAXPJNXRIT-IUKTVIPNSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCC1)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIRIUGWHFIUEL-BVPJJHLOSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN(C)C)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZJNITGWXZKPLE-IWQNTTPNSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCCC1)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJSVHMWOSWSLPB-YFTHYISFSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCC(C)(O)CC1)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIRZAWQTCVECM-IWQNTTPNSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCOCC1)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUFACZGHKUZTGV-PHDGFQFKSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEOLXQHWWAZPIW-PHDGFQFKSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPFLIQJKFWRSND-UEMWQVMZSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCC1)(c1cccc(F)c1)C1CCN(CC2(O)CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWMVEUVCYTZXSW-YSJNHPSYSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCC1)(c1cccc(F)c1)C1CCN(CC2(OC)CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBSMQBOIOZDTSP-IKTYWIPASA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCC1)(c1cccc(F)c1)C1CCN(CC2(C(=O)OC)CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZCLCVXNMVHYFD-BSGLOOBLSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCC1)(c1cccc(F)c1)C1CCN(CC2(OC)CN(c3ccc(S(=O)(=O)C4CN(C(=O)/C=C/CN(C)C)C4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVDVSSBJLJMCV-VXMGAWDISA-N", "SMILES:C=CC(=O)N1CC(S(=O)(=O)c2ccc(N3CC(CN4CCC([C@@](CN5CCC5)(c5cccc(F)c5)[C@H]5CCC[C@@H]5NC(=O)OC)CC4)(OC)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXFSQAGUYEXCV-MDHXRGRUSA-N", "SMILES:C=CC(=O)N1CCC(S(=O)(=O)c2ccc(N3CC(CN4CCC([C@@](CN5CCC5)(c5cccc(F)c5)[C@H]5CCC[C@@H]5NC(=O)OC)CC4)(OC)C3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGANROEWWVGCF-VEZYWKGHSA-N", "SMILES:C=CC(=O)N1CCC[C@H](S(=O)(=O)c2ccc(N3CC(CN4CCC([C@@](CN5CCC5)(c5cccc(F)c5)[C@H]5CCC[C@@H]5NC(=O)OC)CC4)(OC)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGANROEWWVGCF-DODHXRRRSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](S(=O)(=O)c2ccc(N3CC(CN4CCC([C@@](CN5CCC5)(c5cccc(F)c5)[C@H]5CCC[C@@H]5NC(=O)OC)CC4)(OC)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFHVSSGMYSWPIR-SZDLQPMWSA-N", "SMILES:C=CC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(N2CC(CN3CCC([C@@](CN4CCC4)(c4cccc(F)c4)[C@H]4CCC[C@@H]4NC(=O)OC)CC3)(OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFHVSSGMYSWPIR-IXPKHDRGSA-N", "SMILES:C=CC(=O)N1C[C@H]2C[C@@H]1CN2S(=O)(=O)c1ccc(N2CC(CN3CCC([C@@](CN4CCC4)(c4cccc(F)c4)[C@H]4CCC[C@@H]4NC(=O)OC)CC3)(OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STSQDMRLPJISBS-SZDLQPMWSA-N", "SMILES:CCC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(N2CC(CN3CCC([C@@](CN4CCC4)(c4cccc(F)c4)[C@H]4CCC[C@@H]4NC(=O)OC)CC3)(OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITOINUTGUCQPS-BMFSAJMZSA-N", "SMILES:C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCc1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDEVLXJNDKIZKC-FRLLZOMISA-N", "SMILES:C[C@@H](O[C@H]1O[C@@H]2CC[C@@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1OCc1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTUNFLBIIFQDKG-YDMVOOKBSA-N", "SMILES:C[C@@H](O[C@H]1OC[C@H](O)[C@H](O)[C@H]1OCc1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPZALWAWWEEDP-NXXUBLNKSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVROZTZMMUCRRT-RHPLWZOFSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRYFBVIMDOGEBD-JQRXFSFOSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICSWPXPWADMLC-XKWNHLRGSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRIMCHMTQKRWLZ-GCYSHIFYSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKWSGBNLYVYPO-NOJKTGNWSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@]1(C)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDOUOXAABTVRP-IGZJNDRKSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZIRBXBGMXBLU-QXWQLSSISA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAOOICDGUOTBMA-NVVKJEBCSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(N)=O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOQPWNXIIHUXDS-WOZXVHBHSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHWVVSBZOHCWRP-AKBFNDPKSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJRXLBLYWJOGR-KEEVEYDBSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEOMGJYDCNKDFX-BFPGVOCPSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHWMELZFHQJMY-BWCJJKRXSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZJGSXIELODRCZ-IXSOEHMWSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMAGIKQNVUGHAG-BFPGVOCPSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQJQJQQGSULXJD-BFPGVOCPSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCAXKMIRWIUAD-YQYZFQBZSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSNLKYJBPMGST-JBKWALOGSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@]1(C)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYEPRGSOCUNKPZ-DIHCNSPGSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYAMRUAMDALQG-YPEPVTSYSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJHDJDLGLAAFHR-CNKFITJPSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHZMGDRRFKAEAL-RMUJJQMASA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOKHTLVKFIIAW-UCYWEUSVSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGLTAWWBBIBGJ-YBXQHBQBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHVNJGKFVQWDDR-ONWTZPQZSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHFWKAPCXXLFJO-VEJDFCRYSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUYOZHRADYVDAT-NCXCDEAASA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFGOUQUYJDOIC-IRNLFZNXSA-N", "SMILES:C=O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABSCUKNQVQUIY-ZZHZLGHJSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZUWTVJOOENLH-VFOWSDJCSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVBOVQZYZBAOSV-LSEJGAGWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXCQNAGTRUJJJJ-KIXWVXSCSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@H](OC(=O)CCCc4cn(CCOCCOCCOCCNC(=O)CCCC[C@H]5SC[C@H]6C(=O)NC(=O)[C@@H]56)nn4)CC[C@H](C)[C@@]34O[C@H]4[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXYATYQRMPQSN-QUGAMOGWSA-N", "SMILES:COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4108453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJJMUHZMNPHFS-SZNDQCEHSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cn[nH]c2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYAOUAVFQZLJR-SZNDQCEHSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2[nH]ncc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHJDHLGNTVLFLF-QRQCRPRQSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2nn(C)cc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSZDEANHKLABKL-QRQCRPRQSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGCZPRJFNDULR-WINIVTDRSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3ccnc3)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCTUJOWJHKPPP-WINIVTDRSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3cccn3)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICCVYTFEYDXVIX-DWXRJYCRSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3ccnn3)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAHTYVFCUHCGKV-WINIVTDRSA-N", "SMILES:CCn1ncc2c1-c1ccnc(c1)[C@@H](N1CCC(c3cc(Cl)ccc3-n3ccnn3)=CC1=O)CCC[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCDQIAPQONDSS-GDJIYFAZSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3ccnn3)=CC2=O)c2cc(ccn2)-c2c(cnn2C2CC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDIVJKIFCPDJH-OLILMLBXSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3ccnn3)=CC2=O)c2cc(ccn2)-c2c(cnn2C2CCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPILZHXBQCQDIQ-DWXRJYCRSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3ccnn3)=CC2=O)c2cc(ccn2)-c2c(cnn2CC(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVNLRRSCQKIMO-NSYGIPOTSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3ccnn3)=CC2=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHVQGYXVCNMVPF-NSYGIPOTSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3cc(Cl)nn3)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNUKLSCTRKQAIX-GYCJOSAFSA-N", "SMILES:C[C@@H]1CCC[C@H](n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGILUKKMWWYGX-GYCJOSAFSA-N", "SMILES:C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3cc(Cl)nn3)=CC2=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOLBPJHTZXJFLH-BWKNWUBXSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CC3(C2)OCc2cc(N4CC5(CN(C)C5)C4)ccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOXZWCDDIKLXCE-AMIDTKPKSA-N", "SMILES:[2H]c1ccc2c(N3C[C@H](CN4CC5(C4)OCc4cc(N6CC(C)(N)C6)ccc45)O[C@H](C)C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEEBCOREBZDJSB-WGNJMZQMSA-N", "SMILES:[2H]c1ccc2c(N3C[C@H](CN4CC5(C4)OCc4cc(N6CC(N)C6)ccc45)O[C@H](C)C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAYGVNYXNZUJFW-LZZVCEBGSA-N", "SMILES:[2H]c1ccc2c(N3C[C@H](CN4CC5(C4)OCc4cc(N6CC7(CNCCO7)C6)ccc45)O[C@H](C)C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRLQMZILGUDIAP-KRJDLQJASA-N", "SMILES:[2H]c1ccc2c(N3C[C@H](CN4CC5(C4)OCc4cc(N6CC(C)(N)C6)ncc45)O[C@H](C)C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFYADJEFGNDEK-PVROUYRZSA-N", "SMILES:[2H]c1ccc2c(N3C[C@H](CN4CC5(C4)OCc4cc(N6C[C@H]7NCCO[C@@H]7C6)cnc45)O[C@H](C)C3)ccc(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWMWNTDSFRCHRX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1CCN(CC2CCN(Cc3ccccc3)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLZPOCYBXYWLNE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1CCN(C2CCN(Cc3ccccc3)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJOJVXORKVRDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1CCN(C2CCN(Cc3ccccc3)C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZCDMDZDHAJFI-BHWOMJMDSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC[C@H](N2CCC(NC(=O)Nc3ccc(Br)cc3)C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOYSNNOFAGJLMS-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c(C)c1N1CCC(NC(=O)Nc2ccc(Br)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUFTXBZQLSLZFB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1CCN(C2CCN(c3ncccn3)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYXKZAEXMWJRT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)NC2CCN(c3ccccc3F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOPBEUSMAIIMY-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1N1CCC(NC(=O)Nc2ccc(Br)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASUWNSGIEYSCMQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(N2CCC(NC(=O)Nc3ccc(Br)cc3)C2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNQCLLNZNTDNL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1CCN(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGJWMXOISJILN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1CCN(c2ccc(F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWXDBBMLZIYCA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(N2CCC(NC(=O)Nc3ccc(Br)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFNVTBXTXSVTDO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CN2CCC(NC(=O)Nc3ccc(Br)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRJXHFPQHQYVRK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1CCN(CC2CCNCC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRXSAOBBEYHYEE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1CCN(C2CCNCC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCUMYAKTAXMBJK-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CC(N2CCC(NC(=O)Nc3ccc(Br)cc3)C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUKACIQVQJCSR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)NC1CCN(c2cnn(-c3ccncc3)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZOTVYWZEBGMLZ-JHBMPWRESA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2-c1cc[n+](Cc2ccc(O[C@@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c(NC(=O)CCCn4cc(CNC(=O)CCCCCN5C(=O)C=CC5=O)nn4)c2)cc1)OCO3.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNLXZGFLVHKLTR-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WETSKVFLBSVMQA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMLMVRUSGZMES-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3)cc(-c3cccc(O)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWUGPHBAAIPLR-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3)cc(-c3ccc(O)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQIDESRJNZSAU-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3F)cc(-c3ccccc3O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBWAVTVMGODGB-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3cccc(F)c3)cc(-c3ccccc3O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCCZPRGZSMMALK-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccc(F)cc3)cc(-c3ccccc3O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWYBUXUSGQIHOV-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3F)cc(-c3cccc(O)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDMOINOBPYCJOE-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3cccc(F)c3)cc(-c3cccc(O)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVBZCJQKSNOJR-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccc(F)cc3)cc(-c3cccc(O)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBYZZOZKQWRKT-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3F)cc(-c3ccc(O)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCHQAADLMHRSEH-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3cccc(F)c3)cc(-c3ccc(O)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYDIWTZBTWLLB-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccc(F)cc3)cc(-c3ccc(O)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPSSYRZYGVDAA-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3C(F)(F)F)cc(-c3ccccc3O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJRYINCDYHSYHV-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3cccc(C(F)(F)F)c3)cc(-c3ccccc3O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPMRYPPPRWQBK-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccc(C(F)(F)F)cc3)cc(-c3ccccc3O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLNMVVRZGHEHG-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3C(F)(F)F)cc(-c3cccc(O)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWHAKAZVEIOXMZ-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3cccc(C(F)(F)F)c3)cc(-c3cccc(O)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUHHIDDTSMSVOT-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccc(C(F)(F)F)cc3)cc(-c3cccc(O)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAYJMLIVXULWSQ-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3C(F)(F)F)cc(-c3ccc(O)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYDTALLRIDSDR-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3cccc(C(F)(F)F)c3)cc(-c3ccc(O)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYWBMBIROCJPFJ-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(O)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBOVCNOGIOGQS-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3OC(F)(F)F)cc(-c3ccccc3O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPWAIEOZPDXKTF-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccccc3O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWBDUZZXFOHAU-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3OC(F)(F)F)cc(-c3cccc(O)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUDAYFIWVLNDNV-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3cccc(OC(F)(F)F)c3)cc(-c3cccc(O)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNSZLPHYKVWKDF-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccc(OC(F)(F)F)cc3)cc(-c3cccc(O)c3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYIGQULBARGQBG-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccccc3OC(F)(F)F)cc(-c3ccc(O)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBAMQPOKABXIQG-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3cccc(OC(F)(F)F)c3)cc(-c3ccc(O)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSZNLCBPFIWDJ-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CCc1c(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc(O)cc3)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXEKRIDRIFBJOR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2063787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOAQLYANOPOQFD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTHZAJCGUJOMAF-SDNWHVSQSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2NS(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNDDFWVJXOSFA-ZHACJKMWSA-N", "SMILES:COc1ccc(/C=C/c2cccc(NC(=O)c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDMRDBQTGWURS-MDZDMXLPSA-N", "SMILES:O=C(Nc1cccc(/C=C/c2ccc(F)cc2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSXLVDJCWUERAV-SDNWHVSQSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWIUALMLNQKMCL-JLHYYAGUSA-N", "SMILES:O=C(Nc1ccccc1/C=C/c1ccc(F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBAKBLZYYOLQCS-FMIVXFBMSA-N", "SMILES:CN(C)c1ccc(/C=C/c2ccccc2NC(=O)c2cccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHEXDCNCMSHLOQ-DHZHZOJOSA-N", "SMILES:O=C(Nc1ccccc1/C=C/c1ccc(F)cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFYBTANVJAAMV-VMPITWQZSA-N", "SMILES:O=C(Nc1ccccc1/C=C/c1ccc(F)cc1)c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHJRYAQDJZLSA-NTCAYCPXSA-N", "SMILES:CN(C)c1ccc(/C=C/c2ccccc2NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXCTBSQWRJOQQ-JLHYYAGUSA-N", "SMILES:CN(C)c1ccc(/C=C/c2ccccc2NC(=O)c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGPQATDQERCZCH-JLHYYAGUSA-N", "SMILES:O=C(Nc1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQJTKLSILUVRF-DHZHZOJOSA-N", "SMILES:O=C(Nc1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQFHLVBPZNQNHG-VMPITWQZSA-N", "SMILES:O=C(Nc1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1)c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHNJZUTVNTWWGR-BUHFOSPRSA-N", "SMILES:O=C(Nc1ccccc1/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIIQRJNXTHSTOO-VAWYXSNFSA-N", "SMILES:O=C(Nc1ccccc1/C=C/c1cccc([N+](=O)[O-])c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYPTCGOHMETLL-FMIVXFBMSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2NC(=O)c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRCWGLNRGAASAY-RMKNXTFCSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2NC(=O)c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVFTHPQUMJYCJ-RMKNXTFCSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2NC(=O)c2ccn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYJAFZKZQTALP-RMKNXTFCSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIIBMIUCJGTKJ-SDNWHVSQSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2NC(=O)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLZJDBDKRJJGR-RMKNXTFCSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2NC(=O)c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNTOUIPUKOMSJE-SDNWHVSQSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2NC(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJIDMVBAGDTCKB-SDNWHVSQSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2NC(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZQSNIXFIVEVET-XYOKQWHBSA-N", "SMILES:CCCCCc1ccc(NC(=O)C2CCN(C/C=C/c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHVVQOOZYRQFF-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2ccccc2)n1CCSCc1ccccc1"]}
{"name": "Hydroxyacylglutathione hydrolase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2261"], "id": "UniProtKB:Q16775", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSFLEBIQZMJQF-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(S(=O)(=O)N3CCN(CCCCc4cn(CCOCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)CC3)cc2)nc1C(=O)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGWZTWZGNYPECF-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNc1ncnc(OCc2cccc(-c3ccccc3)c2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZBPAHRHKUDXPC-QMOZSOIISA-N", "SMILES:CC(=O)NCCNc1nc(NCc2cn(CCNC(=O)CCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)nc(OCc2cccc(-c3ccccc3)c2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFHUXLCJFBTJK-OLWNVYNHSA-N", "SMILES:Cc1c(COc2ncnc(NCCNC(=O)CCc3cn(CCNC(=O)CCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nn3)n2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRTFIZOCYLZIHX-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCNc1ncnc(OCc2cccc(-c3ccccc3)c2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWPCGWNSVLFLZ-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ncnc(NCCNS(C)(=O)=O)n2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDXOXARJUHUKOQ-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ncnc(NCCS(N)(=O)=O)n2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIVFDYUEXIOPM-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNc1nc(Cl)nc(OCc2cccc(-c3ccccc3)c2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMGYIJIRUBAPJO-UHFFFAOYSA-N", "SMILES:COc1nc(NCCNC(C)=O)nc(OCc2cccc(-c3ccccc3)c2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPSKGGRSWVYBV-NRFANRHFSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]cn1)Nc1ncnc(OCc2cccc(-c3ccccc3)c2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEYGXFWNFDSKG-UNLWNTODSA-N", "SMILES:CC.Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CC[C@@H](N(C)S(C)(=O)=O)C4)C3)[nH]c12"]}
{"name": "Histone-lysine N-methyltransferase SETD2", "xref": ["CHEMBL.TARGET:CHEMBL3108647"], "id": "UniProtKB:Q9BYW2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHVWORJNXNUHPG-SQNIBIBYSA-N", "SMILES:CC(=O)N(C)[C@H]1CCN([C@H]2CCC[C@@H](NC(=O)c3cc4c(F)ccc(C)c4[nH]3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHVWORJNXNUHPG-FGTMMUONSA-N", "SMILES:CC(=O)N(C)[C@@H]1CCN([C@H]2CCC[C@@H](NC(=O)c3cc4c(F)ccc(C)c4[nH]3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUGIPBMLSZTHGV-CVEARBPZSA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CCN(S(C)(=O)=O)CC4)C3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMLPFXWTFXSER-CABCVRRESA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CCN(C)C(=O)C4)C3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQXMDCYTCZCGI-JKSUJKDBSA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](c4ccncc4)C3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEABPUKFLIDJEN-CABCVRRESA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CCOCC4)C3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVKIBLQXFILMA-IKGGRYGDSA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CC[C@H](N(C)S(C)(=O)=O)C4)C3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXMZPTHMVZPHBT-UHFFFAOYSA-N", "SMILES:Cc1cccnc1C(NC(=O)c1cc2cccc(C)c2[nH]1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVINCTWHMHHDDK-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRYMFGQJYWIRE-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)C1CCN(c2cc(F)cc(NC(=O)c3cc4c(F)ccc(C)c4[nH]3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCANTAQOMRAMSB-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)C1CCN(c2cccc(NC(=O)c3cc4c(F)ccc(C)c4[nH]3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDTPZVBPPICJQF-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)Nc3cc(F)cc(N4CCC(N(C)C)CC4)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMUKCDJRAOOBQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)Nc3cc(Cl)cc(N4CCC(N(C)C)CC4)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVHXNJGDPXXSIT-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)cc(N2CCC(N(C)C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIAQCRLFDZGOQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)Nc3cccc(N4CCC(N(C)C)CC4)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBXRCCXTOFWDKG-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)Nc3cccc(N4CCN(C)CC4)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYOJRUQOOVAGRU-UHFFFAOYSA-N", "SMILES:Cc1cccnc1C(NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIDFIJWFEVSKGM-UHFFFAOYSA-N", "SMILES:Cc1cccnc1C(NC(=O)c1cc2cc(F)cc(C)c2[nH]1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJVRHWCFCJATBK-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)Nc3cccc(N4CCOCC4)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUGFQSECICIPH-SHTZXODSSA-N", "SMILES:Cc1cccc2cc(C(=O)N[C@H]3CC[C@H](NC(=O)CCN)CC3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLAPMGRYQNUMDJ-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(O)cc2)cc2oc3cc(O)c(O)cc3c2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHECMRUBZFXERM-BUHFOSPRSA-N", "SMILES:O=C(/C=C/c1cccc2ccccc12)NC(Cn1cncn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBBOGPPOSZAOZ-ACCUITESSA-N", "SMILES:O=C(/C=C/c1ccc2ccccc2c1)NC(Cn1cncn1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGDAKQINNRGDQO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc(SCC(=O)c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQURLAXIVHJNZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc(SCC(=O)c3ccc(Br)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUWSEJLVTBGZJV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(Nc2cc(-c3ccccc3)nc(SCC(=O)c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APYMXPCWKMOFTR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(Nc2cc(-c3ccccc3)nc(SCC(=O)c3ccc(Br)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AELXTZHCYXOOKT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(SCC(=O)c3ccccc3)nc(Nc3ccc(S(N)(=O)=O)cc3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZNIWYTABAYRI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc(Nc3ccc(S(N)(=O)=O)cc3)c(C#N)c(-c3ccc(C)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRKBPPGUJITWCF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(SCC(=O)c3ccc(Br)cc3)nc(Nc3cccc(S(N)(=O)=O)c3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDIRTAKGXGZVFW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc(Nc3cccc(S(N)(=O)=O)c3)c(C#N)c(-c3ccc(C)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTMPOJLWTVNJU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2nc(SCC(=O)c3ccccc3)nc(Nc3ccc(S(N)(=O)=O)cc3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHXBLGYPELWYKD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2nc(SCC(=O)c3ccc(Br)cc3)nc(Nc3ccc(S(N)(=O)=O)cc3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARCWTHGUJWBEQN-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2nc(SCC(=O)c3ccccc3)nc(Nc3cccc(S(N)(=O)=O)c3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLLLWPCLIMSIH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2nc(SCC(=O)c3ccc(Br)cc3)nc(Nc3cccc(S(N)(=O)=O)c3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STBUOKWLXXNCFE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc(Nc3cccc(S(N)(=O)=O)c3)c(C#N)c(-c3cc(OC)ccc3OC)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEJWYQDHVCEHPX-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(SCC(=O)c2ccccc2)nc(Nc2ccc(S(N)(=O)=O)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINDGRWDPJTIBT-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(SCC(=O)c2ccc(Br)cc2)nc(Nc2ccc(S(N)(=O)=O)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXXZYRIJMSMRT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc(Nc3ccc(S(N)(=O)=O)cc3)c(C#N)c(C(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGRNDLJWVDLGN-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(SCC(=O)c2ccccc2)nc(Nc2cccc(S(N)(=O)=O)c2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPIHMGHHYBVGPC-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(SCC(=O)c2ccc(Br)cc2)nc(Nc2cccc(S(N)(=O)=O)c2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXVVBBOLJKPUIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc(Nc3cccc(S(N)(=O)=O)c3)c(C#N)c(C(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTHCCQRTNWVKA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc(Nc3ccc(S(N)(=O)=O)cc3)c(C#N)c(-c3cc(OC)ccc3OC)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYRDUNSCBJWIS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc(Nc3ccc(S(N)(=O)=O)cc3)cc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBRIBWQEWGZSR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc(Nc3cccc(S(N)(=O)=O)c3)cc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGAFLUZXUYXFBC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(SCC(=O)c3ccc(Br)cc3)nc(Nc3ccc(S(N)(=O)=O)cc3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFDDQALFVGVFO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(SCC(=O)c3ccccc3)nc(Nc3cccc(S(N)(=O)=O)c3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJZROCAFMYZDL-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)Nc2cccc(S(N)(=O)=O)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEJKPQHGHPRNP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2nc(C)c(C)nc2C)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXUPECBKZNEANA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2nc(C)c(C)nc2C)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWSCVKNBKGDGOO-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUKNYLXPFJODCA-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)Nc2ccccc2S(N)(=O)=O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELALJBVZFNKGL-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(NC(=O)Nc2cccc(S(N)(=O)=O)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIWZSKPICBSKT-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMNMDYFCZWVRRJ-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(NC(=O)Nc2ccccc2S(N)(=O)=O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEWISJYKUXJWQE-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIFJUYGHLCHESC-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLNSALOGDCSUGR-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)Oc2ccc(S(N)(=O)=O)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWWVHEWTQVPBQK-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLRMEXVRQHFWCA-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)Nc2ccc(C(=O)O)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHDBFTZZCCYHLP-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)Nc2cccc(C(=O)O)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSOAGNDTMUBAKV-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(NC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORAYKQHOKFKGQM-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(NC(=O)Nc2cccc(C(=O)O)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEDVURABTOSJNU-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(NC(=O)Nc2ccc(C(=O)O)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUNBMFWSQDORR-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(NC(=O)Nc2ccccc2C(=O)O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJFEBZETQVXDY-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)Nc2ccccc2C(=O)O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHCQXDZKHWNRSB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPUPLLZBHXWNJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPRFSYEDZZPIV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCN2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXEPTJRUPJBHAM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWHNDHVHSGMOL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDJXKDERJFSQZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CN(CCO)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXRFDHIBYSAXJK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CN(CC(C)(C)O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWFPNWRYAABMA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CN(CCN(C)C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQISSPQPNZAMJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVNTXFYJDTYIDW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBPZNOSHKRIJPT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISOLURFGPUUWQO-UHFFFAOYSA-N", "SMILES:Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUADHKDHFGWPOV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)nc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZAULLMVOUZRJ-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZTMGGAUXLQDLL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTBLHVSPOCPTRI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVMDEKLQDYYJU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(-c3ccnc(C(F)(F)F)c3)[nH]2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSGVLBTNFTTMV-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLBWUHAVYRBYOG-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)N(C)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLPBGLDJIWELO-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(NC(=O)Cc2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADBSEGTVFDHAFB-UHFFFAOYSA-N", "SMILES:O=C1CC2(CCOCC2)Oc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3CO)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQHDUIJWMRAPQO-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVYHDBBAWGWHEP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBKYOKLJIXJLU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPXHTXBMOXHGGH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCBPREGFQAAWRE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)n2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEWLGPXECGHIKV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cncc(C(F)(F)F)n2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WASYUHBPAZRREF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2nccc(C(F)(F)F)n2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCMYRYPRYHQHK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(C(F)(F)F)ncn2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRTINOCIDJSJPY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJIQUERQQCMBMD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOPCYJUBDAZPE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(OC(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UESSUFUXMZEIIP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPJBXDMUWLKDO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2CCNC(C(F)(F)F)C2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWNZFNJKEOOSIH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)N2CCCC(C(F)(F)F)C2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUEMOLZFJROKKF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(C(F)(F)F)s2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVYDXVKQBSNYML-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFROYMIRGMXUFQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(OCCO)nc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZWWOGBJFJFVRQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(OCCO)nc(OC(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHGBWSDDDZUSG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFIJMLUEJUSKTG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTIFCEMMTQQPGA-UHFFFAOYSA-N", "SMILES:COc1nnc(C(=O)Nc2ccc(C)c(-c3ccc4c(c3)OC3(CCOCC3)CC(=O)N4)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAMYAGWKTQLOCX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(C(F)F)cnn2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRHNDYABQUZDE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(OC3CC3)cnn2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDHBSMZUFBJAV-SFHVURJKSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDHBSMZUFBJAV-GOSISDBHSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLNHJHPJFKUJRV-NSHDSACASA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCNC[C@@H]2CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLNHJHPJFKUJRV-LLVKDONJSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCNC[C@H]2CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGWWHLAPJDJCKS-LBPRGKRZSA-N", "SMILES:CN1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](CCO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGWWHLAPJDJCKS-GFCCVEGCSA-N", "SMILES:CN1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](CCO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URRVQZIATPXFAS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)C(CCO)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URRVQZIATPXFAS-GOSISDBHSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICYLNMSMBLVLBJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCNC(CCO)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICYLNMSMBLVLBJ-LLVKDONJSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](CCO)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVCMAZWDXXBGK-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVCMAZWDXXBGK-GFCCVEGCSA-N", "SMILES:CN1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXOEDKYWHRXHY-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(-c2nnn(-c3ccc(CCN4CCc5cc(-n6ccnc6)ccc5C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEBMJDUYFJOCCF-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(-c2nnn(-c3ccc(CCN4CCc5ccc(-n6ccnc6)cc5C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUDGYJOURFAWRX-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(-c2nnn(-c3ccc(CCN4CCn5cncc5C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPVPHZAVNPALGM-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(-c2nnn(-c3ccc(CCN4CCc5cnccc5C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXKJSOCDLOSUDW-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(-c2nnn(-c3ccc(CCN4CCc5ccncc5C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POILDAQOHMNGEW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5cc(-n6ccnc6)ccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUWWKJTWPTXFS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4ccc(-n5ccnc5)cc4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENXIKQNOHHKPJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(Oc5cccnc5)ccc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZREBGUWYXWLE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OCCc5cccnc5)ccc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBYWYQCFTUDRA-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(-c2nnn(-c3ccc(CCN4CCc5cnccc5C4)cc3)n2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPVASHDPUJKPV-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(-c2nnn(-c3ccc(CCN4CCc5cnccc5C4)cc3)n2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDZMWUDZQHVIG-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(-c2nnn(-c3ccc(CCN4CCn5cncc5C4)cc3)n2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMLQPDGIGJKFQV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5cc(Br)ccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJGIQGNHDYQIKZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4ccc(-c5ccncc5)cc4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVXOJRXBGNHASI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4ccc(-c5cccnc5)cc4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZDLTGWRNLYQW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(Oc5ccncc5)ccc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJVTJANLLZWKY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OCc5ccncc5)ccc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBZSILJRRIYUAP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OCc5cccnc5)ccc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDYKJXQJLZOTSB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OCc5ccccc5)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIQOOYDNYCZXBM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OCc5cccnc5)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMBZYDOILAGOQ-HEHGFKMXSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYGRXNUKLPGXGG-OLFRAZCBSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKLNFNAAXWSFY-HEHGFKMXSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFXGMCOQYEOPF-GLCPWXLDSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEQFZSRNLOMEGR-ACEGBTHOSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(N)=O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC3=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3318147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRUSWBLOISBSSJ-ZJDFQAAZSA-N", "SMILES:CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(N)=O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC3=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXIRRBVKXDGYHE-CCQWGCFNSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBRFNDOAJUJERL-DKYXKWCLSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLPDWLIEZYVVET-RODBUEGRSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYOOMVQAYQVZKG-RODBUEGRSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDQYOVJAMBDCG-QKXWEHTDSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUWQZBODXNWIK-CIPWDXRLSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWQJOMJUQSWFOD-CIPWDXRLSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXDKCSFNHSMLW-JDYUVTIUSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDINIQIYASCIPG-JDYUVTIUSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSOALZDYNUHFL-HGDWIZLGSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULFDNSGFSKFPKA-JDYUVTIUSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHLUAYJYWIIGD-RDUUJDEOSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](C4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEZRBEYZZAERHP-SMJDGYGBSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](C4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](Cc4cccc(Cl)c4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMQHKPFFILEZIU-CIPWDXRLSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](CC4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQPVYZONPXDBY-SMJDGYGBSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](C4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTFIXVIFCWJSW-SMJDGYGBSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](C4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](Cc4ccc(Cl)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INRUWGYFDRFSHK-SMJDGYGBSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](C4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](CC4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFULWTVQGUSJZ-KDLBMBSWSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](C4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUFHIXNSGBICMS-LFIBNONCSA-N", "SMILES:Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)O2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSYVMKVZLMJDZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1COc1nn2c(=O)c(C)nnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVAOQQXVYMPVRD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn3c(=O)c(C)nnc3s2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHFVDJHIRGNEPO-YRNVUSSQSA-N", "SMILES:O=C1OC(c2cccc(Cl)c2Cl)=N/C1=C/c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYRORONHQWHQNN-KPKJPENVSA-N", "SMILES:O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIUIQWVKECWLCN-LFIBNONCSA-N", "SMILES:O=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBORAKUIWHKMFB-KPKJPENVSA-N", "SMILES:Cc1ccc(/C=C2/N=C(c3cccc(Cl)c3Cl)OC2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDRXBZIPSQRGIL-OQLLNIDSSA-N", "SMILES:Cc1ccc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXHFQPWTPVANQ-YRNVUSSQSA-N", "SMILES:O=C1OC(c2cccc(Cl)c2Cl)=N/C1=C/c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFMMVLMQJVGMQ-NTEUORMPSA-N", "SMILES:Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYRORONHQWHQNN-GHXNOFRVSA-N", "SMILES:O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\\c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDRXBZIPSQRGIL-DHDCSXOGSA-N", "SMILES:Cc1ccc(/C=C2\\N=C(c3ccc(C)c(C)c3)OC2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWNQHJUXLZOUQJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YINUUADSNKHBHI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Sc1ccc2n[nH]c(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXFWYSKRDAZEEN-UHFFFAOYSA-N", "SMILES:Cc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVJSYMYGSKESLF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOETYCRGZYHINY-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3ccccc3Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONDJIHGHEXNTAW-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3cccc(Cl)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMDYCZLBRZYSTF-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3ccc(Cl)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXNIOEKTQFXWKJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3ccccc3F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURNVDWBICVXER-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3cccc(F)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBHSXMSXUCFFJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3ccc(F)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDXUPXJBVTXAU-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3ccccc3C(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHCGQDRLUEKNW-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3cccc(C(F)(F)F)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEVAUWRCVUIGU-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3ccc(C(F)(F)F)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYTWBAHBRJBMJA-UHFFFAOYSA-N", "SMILES:COc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJANTOMLUUBBK-UHFFFAOYSA-N", "SMILES:CCOc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFULZVNQBHXFMN-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3cccc(OC(F)(F)F)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBWSNTCERLVXPT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATRPVZFYDKZHK-UHFFFAOYSA-N", "SMILES:CSc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONCCLHCFKNAFHF-UHFFFAOYSA-N", "SMILES:Cc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIEHUOGAQYQUNS-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODAMEZBCMGEGI-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJXCZBVMSJKMGS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Sc2ccc3n[nH]c(=O)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDESFULSWYTUNW-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3cccc(Cl)c3Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFACWOQJMTUDE-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3ccc(Cl)cc3Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBIDXYUMDMCON-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3ccc(Cl)c(Cl)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQKXHVTTKTSRG-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3cccc(F)c3F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRHNCWCCGYIBN-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3ccc(F)c(F)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDCWVLNNNBSOTB-UHFFFAOYSA-N", "SMILES:Cc1ccnc(Sc2ccc3n[nH]c(=O)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGWTVKFCDQGHX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQRZLEZILAUAJR-UHFFFAOYSA-N", "SMILES:Cc1cccc(Sc2ccc3n[nH]c(=O)n3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLHAKAQJEIGJHG-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc2ccc(Sc3cccc(C(F)(F)F)n3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMFQMHAUQZHION-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2ccc3n[nH]c(=O)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFXIURPDMKVGT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccc3n[nH]c(=O)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHGFJDPGZXTDW-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(C)c2ccc3n[nH]c(=O)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKZSTWAYNSUDID-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc3n[nH]c(=O)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPDSSUKBQPWEOV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C)c3n[nH]c(=O)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZPIEJODRGMFFE-OUUBHVDSSA-N", "SMILES:COc1ccc(Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1"]}
{"name": "Hypoxia-inducible factor 1-alpha", "xref": ["CHEMBL.TARGET:CHEMBL6046"], "id": "UniProtKB:Q61221", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJGQDYRNYTUFA-OUUBHVDSSA-N", "SMILES:COc1ccc(Cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYYCRYDWXHRMC-UJWQCDCRSA-N", "SMILES:COc1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHSZCFGHVQWDV-UJWQCDCRSA-N", "SMILES:COc1ccc(-c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXLSVJSKSUDUGW-IBEHDNSVSA-N", "SMILES:COc1ccc(C(C)(C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHUCFACMSZXAV-IBEHDNSVSA-N", "SMILES:OC[C@H]1O[C@@H](OCC2(c3ccc(O)cc3)CCC2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSGQUBESNMCCO-RKQHYHRCSA-N", "SMILES:OC[C@H]1O[C@@H](OCCc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMFGYVKUDCWRQ-UXXRCYHCSA-N", "SMILES:COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL510617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRIJUWUQTVDQE-RKQHYHRCSA-N", "SMILES:OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5089654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZJFZNJUIHFFE-UXXRCYHCSA-N", "SMILES:CC(C)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQOLIYEFVSSCL-UXXRCYHCSA-N", "SMILES:OC[C@H]1O[C@@H](OCCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL270766", "category": ["biolink:ChemicalEntity"], "name": "SERGLIFLOZIN A", "xref": ["InChIKey:HFLCZNNDZKKXCS-OUUBHVDSSA-N", "SMILES:COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUULOOKSQELJR-UJWQCDCRSA-N", "SMILES:OC[C@H]1O[C@@H](Oc2ccc(Cc3ccc(O)c(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUBRBDXXLWXNKR-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nccnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXKJJKTNOLFGK-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nccnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWPPENXFJCQKK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(F)c(-c3ccc4nccnc4c3)n2)nc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQCKGICMPDECTO-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nccnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXNXMBFQJHZWSO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nccnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQBQPNOWKSJBR-UHFFFAOYSA-N", "SMILES:Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2nccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZANJIMZRAQDG-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(C(C)C)CC5)cn4)ncc3F)cc2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMZYDDGZWQHSL-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(C)CC5)cn4)ncc3F)cc2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXAJVIUXPOHUTG-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3nc(Nc4ccc(CN5CCN(C(C)C)CC5)cn4)ncc3F)cc2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXENBMCFYWCMMY-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(C)c(C)nc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQSVIANYXKTUMS-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEIFYFMWJVRUHV-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5ncc(N(C)C)nc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPRAHSNJBLKQZ-UHFFFAOYSA-N", "SMILES:CN(C)c1cnc2ccc(-c3nc(Nc4ccc(C(=O)N5CCNCC5)cn4)ncc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBIOKGKBZUACK-UHFFFAOYSA-N", "SMILES:CN(C)c1cnc2ccc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQEQTMUEDFLDQN-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc5ncc(N(C)C)nc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIBSXYAHOPRON-UHFFFAOYSA-N", "SMILES:CN(C)c1cnc2ccc(-c3ccnc(Nc4ccc(N5CCNCC5)cn4)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNWSGVSQWRVOIZ-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(C(=O)N3CCNCC3)cn2)nc1-c1ccc2ncc(N(C)C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYGDDWKLNMOEIZ-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2ncc(N(C)C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDZYAZWBMVQUTC-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cnc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(C(C)C)CC5)cn4)ncc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUSDTHMMMIGPF-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5ncc(N(CC)CC)nc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMADKDGOQDQEW-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cnc2ccc(-c3nc(Nc4ccc(C(=O)N5CCNCC5)cn4)ncc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLMRYGLLGDWLC-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cnc2ccc(-c3nc(Nc4ccc(CN5CCN(C(C)C)CC5)cn4)ncc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOICOFQIQHEPE-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cnc2ccc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQBOBDSVGXIIF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cnc2ccc(-c3nc(Nc4ccc(N5CCN(C)CC5)cn4)ncc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNZMEFDCYCSOSI-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5ncc(N6CCOCC6)nc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHUITPYJTITMMF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(F)c(-c3ccc4ncc(N5CCOCC5)nc4c3)n2)nc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINMQNQKXGNWQN-UHFFFAOYSA-N", "SMILES:Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2ncc(N3CCOCC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKXRKKGSSNZKU-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc(F)c(-c4ccc5ncc(N6CCOCC6)nc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFTVJNDYDYVRA-GASCZTMLSA-N", "SMILES:CO[C@H]1CC[C@@H](Nc2cc(C)nc(-n3nc(C)cc3C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLFQGWLQZFUQTJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc(F)c2F)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNXPSYWMJCRMDJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(F)ccc2F)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSKGGZCJBHZET-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)c(Cl)c2)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAANKJBRZWMODN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(Cl)cc2F)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWOQPNHOXLUTJZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(Cl)ccc2F)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJKGYBOMYOKJJV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(F)ccc2Cl)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUODWQJJYZZWMD-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCTVTJSVXURAKH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C(F)(F)F)c(Cl)c2)nc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCKKQAOHOPXCM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2nc(N)cc(Nc3ccc(F)c(Cl)c3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLPXMBZNANAIT-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2nc(C)cc(Nc3cc(Cl)ccc3F)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEQIMYKBVXMIW-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2nc(C)cc(Nc3ccc(F)c(Cl)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJGZWTMMPFTMCP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(Cl)ccc2F)nc(-c2coc(C)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBUVGFVTXASMBB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(F)c(Cl)c2)nc(-c2coc(C)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXDCZSXBCBMFJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2cc(C)c(Nc3ccc(F)c(Cl)c3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLPEEHGGCRJKL-NYWHFVPLSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDZBUKLRTPHIJF-ZLZHCUFTSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYSLGYWRXBXHS-NQGNDLBJSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTQMEABEAXUDK-SOFVUGOOSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFRFMKSTJHXPN-LIZYCUELSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILQFKLAHXRZMIP-NLTKVRBFSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJULGUYGVWNJZ-NQGNDLBJSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDRNGJPVFXAAMU-FZXPNKAVSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXXPIHZQPZAKI-HPLYQBPVSA-N", "SMILES:C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPDGKOWRGFMSCX-NLTKVRBFSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDHVKKLISZXPV-YDHSSHFGSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)COCCOCCN)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBYXNWRTKTWZKY-QEETYVBOSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCN)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDXIVIMCXUGPK-WJSWYMBPSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)COCCOCCN)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIKKCVWAWRDIGT-BZSNNMDCSA-N", "SMILES:NCCOCCOCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSQGSLCHLEDRV-VBOOUTDYSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCN)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEQJEMKBWTLOH-JPEKXRIASA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)COCCOCCN)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYKYDCPWXSUZJT-HJOGWXRNSA-N", "SMILES:NCCOCCOCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEWMQFDSDWNIRS-UEOMBKFZSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMMYEKTDUYLTA-OPHJYBJGSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPQPMOHHJFVTII-OPHJYBJGSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJVIGPBHUMMVDZ-LHTDGSOCSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSRVHGHQODFNE-ARSAYLLESA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFVMVTJJMDDMAV-NYWHFVPLSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUEPYIVWCXXCPR-GLXJOHRYSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLIIOGPANDBOT-VLOHZBNCSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCC(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDCNXZCWUQIZQH-UGCKPNJOSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINBMQSUWVQOAU-JJRVKYEESA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRGMLMVCCRDNX-VLOHZBNCSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTAOHESMQKWEHT-CRUUWIKHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTEZMAPENBEBQK-WRRBQJLKSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C/C=C\\C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEXVTYTCRQDBA-JTNSDRKUSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFBHPJSVNBGJL-ALENORRLSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1Cc2cncn2C/C=C/C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBNICXPNMLMCH-JUHJQKASSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C/C=C/C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCJWOKHMZXDCO-STOPEUEJSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCNC/C=C/C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWROBACMIRCHNR-KXRJWDNWSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCN(C)C/C=C/C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSEYCJJNDKUXDB-IBQGDXEASA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C/C=C\\C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSOIDHSETFVUPV-IBQGDXEASA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C/C=C\\C[C@H](NC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSQPDJPAYDWML-YPKQDUGKSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C/C=C/C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENRJBDATNNHAM-VXDOKXEWSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C/C=C\\C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXVNSDXGZQXERO-NXDMJTDOSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2cccc3ccccc23)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIVCDBIBOGOXBU-NXDMJTDOSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLZPTRZNQQHLC-CUVWMZJTSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRQUBXFCBFENCK-ZOBDBRATSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPNSCKCBJMCSKJ-XNHKUAGSSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CC(=O)NC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGXCWMYOJILGFY-SVENNQHVSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKRWGTWQTMCAMO-AGVBWZICSA-N", "SMILES:C=CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC=C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUKLXNYAAMUPI-OVXAOBCASA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C/C=C\\C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGTBYLLVBXHJSP-ZOEZQVHQSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C/C=C\\CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNYWSHZCWMAGJQ-REGFRKHLSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGBIHMXIWWARQE-XSNXLXKGSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1Cc2cncn2C/C=C/C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXVNSDXGZQXERO-GPPXURECSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIVCDBIBOGOXBU-GPPXURECSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLZPTRZNQQHLC-AAQIKLIISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYAYSPQKUNTOV-AHBVAWNMSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)c(C3CCCC3)c2)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVUAFDQPMHIKF-AOMSCDDSSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cc(C3CCCC3)c(OCc3ccccc3)c(C3CCCC3)c2)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQKNQKHWWXIUEN-ZROPVQRLSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(OC3CCCC3)c(C3CCCC3)c2)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZWCELKWRNLKLT-SDTBHDBTSA-N", "SMILES:CCCOc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]2C/C=C\\C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N2)C(=O)O)cc1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKLNYQJVSKJHM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nc(NCCOCCOCCN)nc(NCC3CCCO3)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYXFNPJEPIHMSF-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2ccccc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZBDRULWWNTJCJ-VOTSOKGWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2cccc(F)c2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQOAMNKIADUJJF-VMPITWQZSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2ccc(F)cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPCSLRRIIDVQIF-BQYQJAHWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2ccccc2F)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIIVHSJXKRWRZ-VMPITWQZSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2ccc(C(F)(F)F)cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGPQCATRZYGPZ-VOTSOKGWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2cccc(C(F)(F)F)c2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTFMHYCMYPEVJW-BQYQJAHWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2ccccc2C(F)(F)F)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQSGSOCBGFYISP-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2ccc(C)cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZZVYDJBLMCNPW-BQYQJAHWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2cccc(C)c2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTAYIAVKTZIRRW-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2ccccc2C)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFBPIGCVRKNDDM-RMKNXTFCSA-N", "SMILES:COc1ccc(CCOC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRGOLYJSUQAQHN-BQYQJAHWSA-N", "SMILES:COc1cccc(CCOC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHPYZMEFBRERS-CMDGGOBGSA-N", "SMILES:COc1ccccc1CCOC(=O)/C=C/c1cc(OC)c(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNWZNWDZXFTCCH-AATRIKPKSA-N", "SMILES:CCCOC(=O)/C=C/c1cc(OC)c(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNUZJBVURDFMT-AATRIKPKSA-N", "SMILES:C#CCOC(=O)/C=C/c1cc(OC)c(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDYVPKRCTGNXJO-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCC2CCCCC2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJCFUSNBVSMDV-ZHACJKMWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCc2ccccc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNEGWOQZIIYNHP-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(=O)OCCc2ccccc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHYRYJDVVYLKAR-MDZDMXLPSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCc2ccccc2)cc(OC)c1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDBZHWPYXNRIIV-PKNBQFBNSA-N", "SMILES:COc1cc(/C=C/C(=O)CCc2ccccc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFCAXIWCHBWJZ-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(=O)CCc2ccccc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMVGIXODJNJMY-RMKNXTFCSA-N", "SMILES:COc1cc(/C=C/COCc2ccccc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGBJDKZVUSUVDI-YRNVUSSQSA-N", "SMILES:COc1cc(/C=C/COCCCc2ccccc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSPXAKACWHJQF-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/c2nc(Cc3ccccc3)no2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAKWHNKNFLNQQR-PKNBQFBNSA-N", "SMILES:COc1cc(/C=C/c2nc(CCc3ccccc3)no2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCJGSFNPRZGYOY-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCc2ccccc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXCRXDLJCRNKK-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)OCCc2ccccc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPCQOONMZQYYDO-RKVQIRNHSA-M", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c2ccc(O)cc2)CNC(=O)[C@H](CS(=O)(=O)[O-])NC(=O)/C=C/c2csc(n2)[C@H](Cc2ccc(O)cc2)NC(=O)C(=O)[C@H]([C@@H](C)CC)NC1=O.[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5082711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGRQUGTHVVVTE-UHFFFAOYSA-N", "SMILES:CCNC(=N)NC(=O)Nc1c(CC)cccc1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DABSOWXLJGXEPU-UHFFFAOYSA-N", "SMILES:CCNC(=N)NC(=O)Nc1c(CC)cc(C(=O)NCc2ccccc2)cc1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLDPQYFFGLCQF-UHFFFAOYSA-N", "SMILES:CCNC(=N)NC(=O)Nc1c(CC)cc(C(=O)NC(C)C)cc1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22150", "category": ["biolink:ChemicalEntity"], "name": "CHLORCYCLIZINE", "xref": ["InChIKey:WFNAKBGANONZEQ-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1"], "synonym": ["Chlorcyclizine", "Chlorcyclizine", "Clorciclizina", "Alergicide", "Perazyl", "Trihistan", "COMPD 47-282", "NSC-25246"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4525199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURBTYQRCRLUGF-FQEVSTJZSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2ccnc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYGXBUKYSOKJA-NRFANRHFSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2nc(C#N)cc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBUOSMBIYYJMH-FQEVSTJZSA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)Cn4nc(C#N)cc4C(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSFYBCKLLABCJ-FQEVSTJZSA-N", "SMILES:C[C@@]1(c2cccc(NC(=O)c3ccc(C#N)cn3)c2)Cn2nccc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYUKFMDCGZLQN-NRFANRHFSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2c(C#N)cnc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMKLPOGYVJHNSP-NRFANRHFSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2cc(C#N)nc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDOPEKODNLOZRJ-FQEVSTJZSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2c(C#N)cnc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMBXEBSSLRFPOM-FQEVSTJZSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)Cn2c(C#N)cnc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJARRYEPKQENB-FQEVSTJZSA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)Cn4c(C#N)cnc4C(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMWCDMOOTAVMSV-FQEVSTJZSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2nc(C#N)cc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXQACBKQPQKDBW-NRFANRHFSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(OC(F)F)cn3)ccc2F)Cn2nc(C#N)cc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBMPLUGJXSJPF-FQEVSTJZSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)Cn2nc(C#N)cc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXRHVPQEUUVSBF-FQEVSTJZSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)Cn2nc(C#N)cc2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYVWVOOPXJOFH-IBGZPJMESA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(F)c([C@]2(C)Cn3c(C#N)cnc3C(N)=N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLDWJVEVHEYKM-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)C2(CCCC2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEWEJKMMMXQTR-FVINQWEUSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@H](O)C2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMMACJZVKJFLR-SFTDATJTSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@](C)(O)C2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FATVHZHGJJYIJI-HZCBDIJESA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@](C)(O)CC2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGZDIWLMMWZIF-VXKWHMMOSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@](C)(C#N)C2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCKYJOBKGVNBOW-YHBQERECSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@](C)(C#N)CC2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXARNQRUUMJVFN-CWKPULSASA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@H](C(N)=O)C2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDUCKJFAEAZQCE-SAHAZLINSA-N", "SMILES:CNC(=O)[C@H]1CC[C@@]2(CNc3ncc(-c4ccc(N)c(C(=O)N(C)C)c4F)c(Cl)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZQHHAHIJAPECC-VXKWHMMOSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@](C)(C(N)=O)C2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIGROTXXZJZZAY-SAHAZLINSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@H](c4ncn[nH]4)C2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDGSURDWQAKFW-ZEQRLZLVSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@@]4(CCCNC4=O)C2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNOSQCCTRPINT-DQEYMECFSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@@]4(CCCCNC4=O)C2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYWVOKHWFMDJU-UHFFFAOYSA-N", "SMILES:CCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKRRLNALXNUQP-UHFFFAOYSA-N", "SMILES:CCc1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYUGGXXKVZSRV-UHFFFAOYSA-N", "SMILES:CCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRKEKVJQVXNEQ-UHFFFAOYSA-N", "SMILES:CCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTIWUIAAGUMGEC-UHFFFAOYSA-N", "SMILES:CCc1c(Cl)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGAUFASKKMUKJE-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CCCC2)CN3)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXGSDFHEOAQQBF-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(N)c(C(=O)N(C)C)c2F)cnc2c1C1(CC1)CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXWRMODVCNBNEA-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYTIYMREXUPYRJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(-c2cnc3[nH]ccc3c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTIKZBZIEKPQIH-UHFFFAOYSA-N", "SMILES:CCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)c(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVYXMUBCZZWFG-UHFFFAOYSA-N", "SMILES:CCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)c(CC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQXJZKFXDGQGT-UHFFFAOYSA-N", "SMILES:CCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)c(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPABMSKPBVBVGZ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CC2)CN3)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWRLRGAKVCPJBJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CCC2)CN3)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPWDUOLOTCVMSN-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)C2(CCC2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZQHHAHIJAPECC-FGZHOGPDSA-N", "SMILES:CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@@]2(CC[C@@](C)(C(N)=O)C2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZOPUDFFMJUEAI-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCC(NS(C)(=O)=O)C3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWBGGTKKECRUMT-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCC(NS(N)(=O)=O)C3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGYRSRRRZXAML-GQCTYLIASA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCCC(NS(C)(=O)=O)C3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHOXHELCXNTDLD-HWKANZROSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCCC(NS(N)(=O)=O)C3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXSYTUPCKDFHLM-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCC(NS(C)(=O)=O)CC3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULRLWKPTWVCAGP-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCC(NS(N)(=O)=O)CC3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDZOUYQYINDNQ-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWROIHQRPBVCG-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(N3CCN(S(N)(=O)=O)CC3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEUSZFXOCOJKEE-GQCTYLIASA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C3CCCN(S(C)(=O)=O)CC3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAKPURLWQYSLR-HWKANZROSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C3CCCN(S(N)(=O)=O)CC3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNHYWWXZSWZCL-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZADTVLGLXGRFU-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLTXECGYRNECJG-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOKSJAUYLWUFNO-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(C(N)=O)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBTUZOGSPFAQC-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(N)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXZZYPMLKSEPLC-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOJFNFNYYQTCAP-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(NS(N)(=O)=O)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJZHHPMCMBWTAD-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNDSAXZYBPYVKJ-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIYNDQYUHOPJX-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPSFPGPKSBTTCO-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNQSSDLGANDLC-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(N)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGLWIJOZQFNQC-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJSWYRHKOBHTBS-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(S(N)(=O)=O)CC3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCNUKHUJIZKPS-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5028072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPLOMDSEODCTNS-BNHYGAARSA-N", "SMILES:C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5028084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIQDLZGOKLXJAV-FKSUSPILSA-N", "SMILES:CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5028138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTWCWDJDGTGGU-UYXSQOIJSA-N", "SMILES:CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5027974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXLDMFCVJQNBHC-QCLAVDOMSA-N", "SMILES:CCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5029066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZIJQARFQJARY-ZRUFSTJUSA-N", "SMILES:CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5028265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLUOFDEWSSUSM-WHOHXGKFSA-N", "SMILES:CCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5028005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOJINIVTKXXQI-QNWHQSFQSA-N", "SMILES:CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKDPDFZMNYDLR-XZBKPIIZSA-N", "SMILES:CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5080975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYOICKCVBMUPS-ULAWRXDQSA-N", "SMILES:CCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKKBXHYYSHSAI-BZNPZCIMSA-N", "SMILES:CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZQIIVHWYFIPW-LMLFDSFASA-N", "SMILES:CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRNOSIJCJVCXKU-WRWGMCAJSA-N", "SMILES:CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBQCNYZEYQQTEE-YVECIDJPSA-N", "SMILES:CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5028105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOJINIVTKXXQI-RNJOBUHISA-N", "SMILES:CCCCCCC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314772", "category": ["biolink:ChemicalEntity"], "name": "DEOXYFUCONOJIRIMYCIN", "xref": ["InChIKey:VYOCYWDJTQRZLC-KCDKBNATSA-N", "SMILES:C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL406973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEBIHBLFRADNM-YUPRTTJUSA-N", "SMILES:OC[C@@H]1NC[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2177689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCCTFVPMAHPSF-JKUQZMGJSA-N", "SMILES:C[C@@]1(CO)NC[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBUCBOVGMOZEA-HXKJARSHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNXMWJHBJVIFPY-HXKJARSHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BROMIBFBDXSYHL-MLAUIRKVSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRPGWIOESOCCV-OQHKLMTKSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cc1ccc(CO/N=c2/ccn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFEXMPQTVDGLKE-GOFCFQCBSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.CCc1ccc(CO/N=c2/ccn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJIAVIVEAZDKB-HXKJARSHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDCUYRGKZOCIPB-HXKJARSHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOHBNQLQUWXUJT-HXKJARSHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERFSXLDAXXDKY-HXKJARSHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMOMWUVOLFKEF-MLAUIRKVSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWPBEBJSXFPJPL-LZWCGCTBSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(S(F)(F)(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRKXUUIVLOYXQB-ULVNVMOCSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.COC(=O)c1ccc(CO/N=c2/ccn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJZRMDIUNLESHX-HXKJARSHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZUFZTYGQVRGLI-JNTADVBHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXOMPQSUBIVGOJ-KDSDJCGMSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(C(=O)NCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPTAIWVAMWAIIS-TVPBGLRTSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(C(=O)NCCCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWJYTCRFTNGQBV-FYFDTMPBSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.CCOC(=O)CCNC(=O)c1ccc(CO/N=c2/ccn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYLNKORXCXMIQ-WXJQEXRRSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/OCc1ccc(C(=O)NCCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPGAOTGRYDDSNL-HQYLWQDDSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@H]2[C@H](O)[C@H](O)[C@]3(COP(=O)(O)CP(=O)(O)O)C[C@H]23)cc/c1=N/OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVJSRPGJCPJQA-SNEBIYJHSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3606064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTTXPVADCDYRBS-JXOAFFINSA-N", "SMILES:O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVOXTZLPLJUOKX-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQONNOYAHGRTDI-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2Cc1ccc(-c2cccc3ccccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLBEBJEURPMKW-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULRMIATZUCPNOZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2C(=O)CSC23CCN(C(=O)CCl)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHLAZUXCJLIAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=O)CSC23CCN(C(=O)CCl)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTMUXUDCRWBJK-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BECZFXLAINPVEW-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2Cc1ccc(Br)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMURQKKFWHHRJ-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2Cc1ccc(Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQODBXUPRRJDAB-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2Cc1ccc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYURUQAYICCKC-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2CCc1ccc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHCFGHECSEXGB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(CN3C(=O)CSC34CCN(C(=O)CCl)CC4)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEWPOYPUMQGNQM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(CN3C(=O)CSC34CCN(C(=O)CCl)CC4)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMHFXBVZQSBFQ-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPLWTUPZCOJRC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(CN3C(=O)CSC34CCN(C(=O)CCl)CC4)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYTOCXSCXRCXGM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc(CN3C(=O)CSC34CCN(C(=O)CCl)CC4)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQINUHORCITLSV-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2Cc1ccc(-c2ccc(-c3ccccc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPMRIUYWCISSLH-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC2(CC1)SCC(=O)N2Cc1ccc(-c2ccc3ccccc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOUYRXCMOACDH-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cnn(C(F)F)c2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLIRLGAYMDUJW-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccccc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIROHYIOBWWCMQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cnn(C)c2)nc1N1CCC2(CC1)NC(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJVVWXJBZMBCX-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cnn(C)c2)nc1N1C2CCC1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPSAEIZXTBZMML-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cnn(C)c2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSAHAYJPZNQPCS-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc(C)c(N3CCC4(CCNC4=O)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTRYMHRWJYJLMG-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc(C)c(N3CCC4(CCNC4=O)CC3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUQMOHIKRNATM-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc([N+](=O)[O-])cc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEFNNABEULOGN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc(C)c(N3CCC4(CCNC4=O)CC3)n2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBJJSKKNGSKROE-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C)c(N3CCC4(CCNC4=O)CC3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKFPSGVBCBXTGE-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(F)cc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COXLSGSEXNHIJW-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(C)(C)C)cc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQJXOCJIFAYFN-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDLQSIKBKNPKK-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc(C)c(N3CCC4(CCNC4=O)CC3)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFMCQDMISEREG-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(F)c(N)c2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMIGNKVPSGYGNX-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccncc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVGWTHNNFDQDT-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cnn(C(C)C)c2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPSAEIZXTBZMML-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])n1cc(Nc2ncc(C)c(N3CCC4(CCNC4=O)CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJEXZQRUDRVCJB-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSFWURMPJUTJKI-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCOCC3)c(F)c2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMOPMQJWNVHXAL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(C)c(N4CCC5(CCNC5=O)CC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXKYKRONJZSQTC-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCOC(C)C3)cc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCOMBRTKZIGSY-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOGCTAQTSUSOA-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3C4CCC3COC4)cc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZDDMJSVJIWUNG-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2nccs2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXWKLGGGHWENF-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCC4(CC3)OCCO4)cc2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSOMRMCQAWJLBX-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cccc([N+](=O)[O-])c2)nc1N1CCC2(CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1237", "category": ["biolink:ChemicalEntity"], "name": "LISINOPRIL ANHYDROUS", "xref": ["InChIKey:RLAWWYSOJDYHDC-BZSNNMDCSA-N", "SMILES:NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O"], "synonym": ["Lisinopril anhydrous"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL212710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXNGDSIPMBNTNL-HJOGWXRNSA-N", "SMILES:NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWBHCYRCVYEOPE-HJOGWXRNSA-N", "SMILES:CCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZUXIPDHISQFZ-FKBYEOEOSA-N", "SMILES:CCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLQTFUZRYRSBE-HBMCJLEFSA-N", "SMILES:Cc1ccc([C@H]2CC[C@@H](C(=O)O)N2C(=O)CN[C@@H](CCc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBBAZGZWTDSFJF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ncnc2sc(C)c(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1494771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLLVTZTKIDMKA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ncnc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPXVROZJDAUPPS-UHFFFAOYSA-N", "SMILES:Cc1sc2ncnc(Oc3ccccc3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFIREFGLBGURD-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ncnc3sc(C)c(C)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSOPQBPIEPQLBQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ncnc3sc(C)c(C)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCDXHHOOUGDDK-UHFFFAOYSA-N", "SMILES:Cc1sc2ncnc(Oc3ccccc3F)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDVJKYWQHATIJ-UHFFFAOYSA-N", "SMILES:Cc1sc2ncnc(Oc3cccc(F)c3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDIKGNYTJXJZNS-UHFFFAOYSA-N", "SMILES:Cc1sc2ncnc(Oc3ccc(F)cc3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVRJPLSUCEJHV-UHFFFAOYSA-N", "SMILES:Cc1sc2ncnc(Oc3ccccc3C(F)(F)F)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVCGABHZMKFBET-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Oc1ncnc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLTPNTVMWVJNLL-UHFFFAOYSA-N", "SMILES:Cc1csc2ncnc(Oc3ccccc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXXARWKUDZUOTQ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(Oc3ccccc3F)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQLZOVJSGIUGE-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Oc1ncnc2scc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGYFXKGCJGKPKH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc2c(Oc3ccccc3F)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMOSYHGBSXPRP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1sc2ncnc(Oc3ccccc3F)c2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQLYVZKPITYSFK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1sc2ncnc(Oc3ccccc3F)c2c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFFVMFLTTADAFR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1sc2ncnc(Oc3ccccc3OC(F)(F)F)c2c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNOJQHCKVSWTKW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1sc2ncnc(Oc3ccccc3OC(F)(F)F)c2c1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOKFRASIHFMNAG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNZOQPZURDRII-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2ccc3c(c2)ncn3-c2ccccc2)ccc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMXMWIGWFRKZLN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCOc1ccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOHSWCLTSSWQDR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCOc1cccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCQVFUXKLAALTE-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCOc1cccc(-c2nc3ccccc3[nH]2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTCBATPYJZDQAP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCOc1cccc(-c2nc3ccccc3[nH]2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIERYDZJRZQUEO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1CCC(c2cnccc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSPDKZFXRDWGE-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1CCN(c2cnccc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDUQHIRQCAIXKO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ccc(-c2cnccc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDSUIIRTVCTDM-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)C1CCN(c2cnccc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLXERFGGISSIO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)C1CCN(c2cnccc2-c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUCBJGFTGHAEU-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)C1CCN(c2cncnc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDCTNNNDVXEQY-UHFFFAOYSA-N", "SMILES:CNC(=O)C1CCN(c2cncnc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDSVXIJLJHURP-UHFFFAOYSA-N", "SMILES:CCNC(=O)C1CCN(c2cncnc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVFAFNVKEMBJLY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)C1CCN(c2cncnc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQZNQZQMHHONLF-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCN(c2cncnc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAWNRWWYQBQHTI-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)C1CCN(c2cncnc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUDZDWPRJJVLA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCN(c2cncnc2-c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWJXLCPBULRSV-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCN(c2cnccc2-c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXWXWNVGLHVWJF-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCN(c2cnccc2-n2cccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYSVNUHQXQZBQE-UHFFFAOYSA-N", "SMILES:Cc1cnn(-c2ccncc2N2CCC(C(=O)N(C)C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIMZCKABYWKBGH-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2ccncc2N2CCC(C(=O)N(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXDXJDBQTATJLA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSOCHGBCVQORG-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCN(c2cnccc2-n2cc(Br)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYBCNJDTCDXAV-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJDOXDIMWMEMOH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCN(c2cnccc2-n2cc(C3CC3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXQGUAHPSERIO-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2ccncc2N2CCC(C(=O)N(C)C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMTKZAHTDPRIFJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-n1ccc(C(=O)Nc3c(CC)cccc3CC)c1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFKCTLDDZSLLFR-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-n1ccc(C(=O)Nc3c(CC)cccc3CC)c1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2140523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKWVHPTFRQHMF-UHFFFAOYSA-N", "SMILES:COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTZCEIPVNLSLB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCc4ccc(NC(=O)CCCCCCNC(=O)CC56CC7CC(CC(C7)C5)C6)cc4)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQUQVXKHQIGLX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCOCCOCCNC(=O)CC45CC6CC(CC(C6)C4)C5)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIACOUUIBNRTRK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCCCCCCCNC(=O)CC45CC6CC(CC(C6)C4)C5)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJZDNECTVMILSV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCCCCCNC(=O)CC45CC6CC(CC(C6)C4)C5)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBIYPTIWKYAVNO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCCCNC(=O)CC45CC6CC(CC(C6)C4)C5)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWRQWCYMPGCFAR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCNC(=O)CC45CC6CC(CC(C6)C4)C5)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBTLEGXUUCCPNA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCc4ccc(NC(=O)CCCCCC(=O)NCC56CC7CC(CC(C7)C5)C6)cc4)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCLNCEAGZDHJED-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCc4ccc(NC(=O)CCCC(=O)NCC56CC7CC(CC(C7)C5)C6)cc4)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBGIOYTMWLCEM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCCCCC(=O)NCC45CC6CC(CC(C6)C4)C5)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHAUWMUUUFTKJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCCC(=O)NCC45CC6CC(CC(C6)C4)C5)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLSMOMYXQGUITH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCC45CC6CC(CC(C6)C4)C5)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFAXRQKFWQLCM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NC45CC6CC(CC(C6)C4)C5)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQENMMGRLQBVOC-ULDVOPSXSA-N", "SMILES:CN(C)c1ccc(/N=N/c2nc3ccc(OCCOCCOCCOCCOC45CC6CC(CC(C6)C4)C5)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDMXDYDXZHUJW-MRXNPFEDSA-N", "SMILES:CC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2c1[nH]c1cc(C#N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOULGTCSZJACLW-OAHLLOKOSA-N", "SMILES:CCNc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2c1[nH]c1cc(C#N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQKBSAOYFHQFD-QGZVFWFLSA-N", "SMILES:CC(C)(O)[C@H](F)CNC(=O)c1cnc2c([nH]c3cc(C#N)ccc32)c1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVOIROMKYILTR-UHFFFAOYSA-N", "SMILES:CC(C)Nc1c(C(=O)NCCC2CCNC2)cnc2c1[nH]c1cc(C#N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUVOSQBQFDUNCH-UHFFFAOYSA-N", "SMILES:CC(C)CCn1cc(-c2cnc3c([nH]c4cc(C#N)ccc43)c2NC(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMMCMYVAAGAINB-UHFFFAOYSA-N", "SMILES:CC(C)Nc1c(-c2cn(C3CCNCC3)nn2)cnc2c1[nH]c1cc(C#N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGRSEAPAGQKQBO-UHFFFAOYSA-N", "SMILES:COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJKKWWAIOGWNR-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ccc(Oc6ccccn6)nc54)CC3)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGSIEKQTSJHLC-UHFFFAOYSA-N", "SMILES:COc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(Cl)c(Cl)c4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXZLBYHXZOWOC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCAMNPIFUUMNF-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVLAHMNAIPTSSR-UHFFFAOYSA-N", "SMILES:Cc1cc(I)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCCHSWRJEGGMLV-AATRIKPKSA-N", "SMILES:COC(=O)/C=C/c1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIFTWWDTQQTTNZ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDVFCTDWDNBBGA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2nc(NC(=O)c3cncc(Br)c3)sc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYKAPGPXUWXSS-UHFFFAOYSA-N", "SMILES:Cc1cc(C#Cc2ccc(Cl)s2)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1"]}
{"name": "Adenosine receptor A2b", "xref": ["CHEMBL.TARGET:CHEMBL2237"], "id": "UniProtKB:Q60614", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGCJNWSEWOWGRS-DDDALXFXSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGOEBMHHXYBID-MOROJQBDSA-N", "SMILES:CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)c(I)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICWQHSRWZIPNB-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2cccc([N+](=O)[O-])c2)C1C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXZLBYHXZOWOC-WJULDGBESA-N", "SMILES:[3H]c1cncc(C(=O)Nc2nc(-c3cc(C)cc(C)c3)c(-c3ccncc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL302765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRNHKSLHHWUAB-UHFFFAOYSA-N", "SMILES:CCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRKCFFOSNYLRSM-SFHVURJKSA-N", "SMILES:O=C(c1ccccc1)C1CN(C(=O)N2N=CC[C@H]2c2cc(F)cc(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYWBUHNODYXAAH-KRWDZBQOSA-N", "SMILES:O=C(N1CC(Oc2ccccc2F)C1)N1N=CC[C@H]1c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSBYXYAOLKQGW-SFHVURJKSA-N", "SMILES:O=C(N1CC(Oc2ccccc2)C1)N1N=CC[C@H]1c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJSIXWBKNFOAQZ-SFHVURJKSA-N", "SMILES:O=C(N1CC(Sc2ccc(Br)cc2)C1)N1N=CC[C@H]1c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQIWDAQSUNSME-AGRHKRQWSA-N", "SMILES:C[C@H]1[C@@H](Oc2ccc(F)cc2)CN1C(=O)N1N=CC[C@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQXEBXTVDNFGS-SFHVURJKSA-N", "SMILES:O=C(N1CC(Oc2ccccc2)C1)N1N=CC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHIZIZVAACFYNM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEJYZYHDWSAAG-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNCUTNPRCFBPNE-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGRQTTVVIFASU-UHFFFAOYSA-N", "SMILES:Nc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)nn1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAEVPJLMBGHPCB-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Br)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHLHMSMGEDEYMU-UHFFFAOYSA-N", "SMILES:Nc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)nn1S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKZGSUMPGBRWJH-UHFFFAOYSA-N", "SMILES:Nc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)nn1S(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGMDCXGLBRQSM-UHFFFAOYSA-N", "SMILES:Nc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)nn1S(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPURGUMXNHTIC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNJFZXIYMTZLO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEELTZNGPIIGOC-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAXBZALXVGMIRN-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKUDBASPOOIDOC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(N)cc3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQSDINMFIJVMJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLOBDCJLKIWIHX-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(C)cc3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGOFWAIIWHHZPE-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(OC)cc3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZMFRFGVLXTEMP-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFBBUITVBPXLX-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQBNANYNWHOXID-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(N)cc3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYWZHIRPSIDKQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(N)cc3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRLNSUYNQXWKJ-HFTRVMKXSA-N", "SMILES:CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(C(F)F)cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKXZASYAUGDDCJ-KBAYOESNSA-N", "SMILES:COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(C)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3919892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAQUASYNZVUNQP-DJIMGWMZSA-N", "SMILES:CN1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O)cc13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5078388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJZWYOBPYDTML-PVAVHDDUSA-N", "SMILES:CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OC(F)(F)F)cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOIJVCEWHZPBJ-HFTRVMKXSA-N", "SMILES:CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OC(F)F)cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGAFXDXPDLWRKR-PVAVHDDUSA-N", "SMILES:CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(C(F)(F)F)cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDTQGQQSMOOSMP-AYBZRNKSSA-N", "SMILES:CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(C(C)(F)F)cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLNMGAGYFICEC-PVAVHDDUSA-N", "SMILES:CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(C(F)(F)C(F)(F)F)cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADPLAAPGYKOMIV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFPACOFYPKCOH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYKSTHOEYVRSEC-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(Cc2ccc(C(=O)NO)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHOCIVMLAZGKCO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CN(Cc2ccc(C(=O)NO)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXZLTXBSPYSBKB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccncc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQPCDAHPBGFJEA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGBCMJAQAKHEP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFVKFCCCOBGVHQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVZRSWFCKSOHK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccccc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSVAGRSGVQDPQQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOMISXRZUHCSH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIRZYWXRTLCARF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUGONRLLAWHKIA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFZURPJTJNICY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CN(Cc2ccc(C(=O)NO)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUVVNYCQISPDSZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccncc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWWYFKVBFUVIZ-SGWCAAJKSA-N", "SMILES:O=C(CCCCCCC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPAHYLNIDWFBPW-CQSZACIVSA-N", "SMILES:CC[C@H](Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPAHYLNIDWFBPW-AWEZNQCLSA-N", "SMILES:CC[C@@H](Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXNOFPSWMFFHY-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKNXRUCZXZSFTP-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCNC(=O)COCCNC(=O)OC(C)(C)C)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBOTVVOWOGWPS-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCC(=O)NCCNC(=O)COCCNC(=O)OC(C)(C)C)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBHNJOMMUKCEI-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOHGLZUUNOJRDW-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCCNC(=O)COCCOCCNC(=O)OC(C)(C)C)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLOJRYGSIFGCS-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)NCCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHWSIALCLVKKT-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)NCCNC(=O)COCCOCCNC(=O)OC(C)(C)C)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDBVNDBKBUGQZ-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCCNC(=O)COCCNC(=O)OC(C)(C)C)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMDBCCMRUNVOK-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCNC(=O)COCCOCCNC(=O)OC(C)(C)C)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAOXNZLZKSWJRO-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)NCCNC(=O)COCCNC(=O)OC(C)(C)C)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODGQMRHDRJJHZ-SDNWHVSQSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCNC(=O)CCCCCNC(=O)COc5ccc(/C=C/C6=[N+]7C(=Cc8ccc(-c9cccs9)n8[B-]7(F)F)C=C6)cc5)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGXFTNZJAMLNF-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCNC(=O)CCCCC[N+]5=C(/C=C/C=C/C=C6/N(C)c7ccc(S(=O)(=O)O)cc7C6(C)C)C(C)(C)c6cc(S(=O)(=O)[O-])ccc65)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNRJXJOVAUZEB-SDNWHVSQSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc5ccc(/C=C/C6=[N+]7C(=Cc8ccc(-c9cccs9)n8[B-]7(F)F)C=C6)cc5)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQNWFQGKRBBTQ-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCC[N+]5=C(/C=C/C=C/C=C6/N(C)c7ccc(S(=O)(=O)O)cc7C6(C)C)C(C)(C)c6cc(S(=O)(=O)[O-])ccc65)(CC3)CC4)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXFQTFYFUJVNO-LICLKQGHSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2n(CCCNC(=O)c2ccc(C(=O)NCCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITGZTYFRGZHAG-LICLKQGHSA-N", "SMILES:CCCn1c(=O)c2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2n(CCCNC(=O)c2ccc(C(=O)NCCNC(=O)CCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUIKOXSLXYWHKH-NKMABPTMSA-N", "SMILES:O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODSCYWXMGXOOZ-ZQJYZEHFSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTVVEOMSKFSMRQ-CKZSZTANSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCIHSCTNVXOMQ-XNTDXEJSSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)cc3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRPDTAHDJGSKCI-QGOAFFKASA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)cc3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZNFIPXMASIVMQ-UHFFFAOYSA-N", "SMILES:COc1cc(CN(c2cc(-c3cc(OC4CCOCC4)c4ncnc(C)c4c3)cnc2OC)S(=O)(=O)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLTLYKPFSSMNIF-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUADRWUKNVJLIR-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZXWOBCPWPGLP-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDHLOLGHGAIPN-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)C(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLFFWYQWIHDUEW-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(F)cc1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCJALIHEAZSCE-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(O)cc1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQGSDKDEQNFIL-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]cn1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDDYWBWTWAWQO-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccs1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJKDXLWILKHRTJ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXLPLFWMLAHST-UHFFFAOYSA-N", "SMILES:O=C(NCCCc1ccccc1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVPDPEVDQVJRBH-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CC2(COC2)C1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHOJGMTSRXENO-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccccc2)CC1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEJZUHQTRAKBDF-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQJRKTURVAEJRQ-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPWLFBIYOVYZQX-UHFFFAOYSA-N", "SMILES:NC(=O)CCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNUGHVHNCLHSJT-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQENDDGEEMEILC-UHFFFAOYSA-N", "SMILES:CCCCCCCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJIXGFLBPKTOO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc3c(c2)C(=O)c2ccc(Nc4ccc(F)cc4F)cc2CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMTVDEGEOIIWKV-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(C(=O)N3CCCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDAFLLXVUYIANN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQHGNOZNXKPFJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLGEDPPPFIBCC-UHFFFAOYSA-N", "SMILES:O=C(NC(CO)(CO)CO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGXSZNBHKCQIF-FGBQVMHASA-N", "SMILES:O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEBJXPKNLUNDMQ-UHFFFAOYSA-N", "SMILES:O=C(NCCOCCO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQDXPWIARDWEGD-UHFFFAOYSA-N", "SMILES:O=C(NCCNCCO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLLLZDMVNNKGD-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRUONFKLIDSVIU-AWEZNQCLSA-N", "SMILES:COC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWOHLYULIPIKF-UHFFFAOYSA-N", "SMILES:COC(=O)CCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPIGNXWOLFGBKL-UHFFFAOYSA-N", "SMILES:COC(=O)CCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUYLQRZSZGLMMM-LJAQVGFWSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTSHEDSPVREJI-VWLOTQADSA-N", "SMILES:COC(=O)CC[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGMDTSZDOLXDDS-VWLOTQADSA-N", "SMILES:COC(=O)[C@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYGUALFMNACZGI-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCNCC1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCXPEAUSNABAE-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDSAWOBTRQRFHO-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANLFUJMQWSESX-UHFFFAOYSA-N", "SMILES:O=C(O)CCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPZGEWSKZTVDS-NDEPHWFRSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXLMJKRHZDVRF-QHCPKHFHSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRSNVOLGSDHLC-DEOSSOPVSA-N", "SMILES:CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQFBVCVCQAHKA-VWLOTQADSA-N", "SMILES:COC(=O)[C@@H](N)CCCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSVIVLYZLZJTE-QFIPXVFZSA-N", "SMILES:COC(=O)[C@@H](N)CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEICNIAPCRXPKI-QHCPKHFHSA-N", "SMILES:COC(=O)[C@@H](N)CCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLWDUALROUIIHS-DEOSSOPVSA-N", "SMILES:N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESSEQZTFVQIBZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3N)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARDDNYPHNPQOZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(C(=O)NCCc3ccccc3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLKHBYGWNWBNDC-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(C(=O)NCCN3CCOCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIZIICEOMUXGE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(C(=O)NCCc3cnc[nH]3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGVQKZSXNKOEGW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc3c(c2)C(=O)c2ccc(Nc4ccccc4N)cc2CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQRJHQIJMPIGMI-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(C(=O)NCCO)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQHFINJAHXRBF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(C(=O)NCC(O)CO)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXAWACVEDYMNQN-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(C(=O)NC(CO)CO)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWLSMWKWZIXYJJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3N)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKVUVVSITQJXSJ-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3N)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEEHNIODOCKKPJ-VWLOTQADSA-N", "SMILES:COC(=O)CC[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3N)cc1CC2)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBAUTIBEYLLSFR-UHFFFAOYSA-N", "SMILES:COC(=O)CCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3N)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNSOFZKSMXKNRM-VWLOTQADSA-N", "SMILES:COC(=O)[C@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3N)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBYRMFNIDHAEAX-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(C(=O)NCCN3CCNCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTAQSPJVOKMQK-QHCPKHFHSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJOMJKSEUJYXAW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(C(=O)NCCC(=O)O)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYOYPFJRMYCJQD-VWLOTQADSA-N", "SMILES:COC(=O)[C@@H](N)CCCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3N)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSFFRKKXLFQWPN-DEOSSOPVSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(C(=O)NCCCC[C@H](N)C(=O)O)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVPWRPAPFEBHC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3N)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129018", "category": ["biolink:ChemicalEntity"], "name": "MW-150", "xref": ["InChIKey:CIIVUDIZZJLXCN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccncc3)c(-c3ccc4ccccc4c3)nn2)CC1"], "synonym": ["Mw-150", "MW 150", "MW150"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKULQTRXCPMGOH-GOSISDBHSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(OC[C@H](O)CO)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQAFQRVIFUNAKT-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGBMTNNEAWCSJZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc(N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREPVAUXOVTNGB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQXYTWAWZWTHH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc(N)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUVBEAIFLOBRN-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3c(c2)CCO3)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOECRCMTCZDILC-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3occc3c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVIBIVVELAQXPQ-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3c(c2)CCO3)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWUNXLQEKAPBL-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3occc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFESKHXGCITNHT-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3sccc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYWZKZPBPFDPP-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3ocnc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPPAJLKYIORDOV-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3occc3n2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFGOGKEYOHZKR-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3ncoc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STIKWXYSQBZFJB-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3ncsc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOLATORCLYYKKR-UHFFFAOYSA-N", "SMILES:Cn1cnc2ccc(-c3cc(N)nc(N)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTCGEUJEJJYNC-UHFFFAOYSA-N", "SMILES:Cn1cnc2ccc(-c3cc(N)nc(N)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPORDOIWOOPCV-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3nccn3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNSIQWSEYGIRS-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3ncnn3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWNWLSYZQYYSM-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccn3nccc3n2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDAOACVUVSPPAO-UHFFFAOYSA-N", "SMILES:Cc1onc2ccc(-c3cc(N)nc(N)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGNFRUMCDPFAG-UHFFFAOYSA-N", "SMILES:Nc1cc(C2=CC3OCCOC3C=C2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXAEPHIHJIDMD-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3occc(=O)c3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBBELRNKRXFCE-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3ncccc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AESBNYUOPVLZJY-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPVRZYHXMSGIN-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3occc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRISPNUBEOGQRR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3occc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUNUGURQIJSRJ-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3occc3c2)cc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFFXOUTPWQMTK-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccc3occc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJPAALSMUAZBSF-UHFFFAOYSA-N", "SMILES:COCCCNc1cc(-c2ccc3occc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTROUVPTDFENL-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3occc3c2)cc(NCCc2ccsc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOHGLNFWYFLSB-UHFFFAOYSA-N", "SMILES:CNCC(=O)Nc1cc(-c2ccc3occc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBIGEJCNXQYPN-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(-c3cc(N)nc(N)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPIWLWPHQREHY-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3oc(Cl)cc3c2)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAARUSQRQGITCF-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTTSIVMHWLTUFK-UHFFFAOYSA-N", "SMILES:CCCCn1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HINVECUKBZWJTC-UHFFFAOYSA-N", "SMILES:CCCCn1c(CC)nc2ccc(-c3cc(N)nc(N)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQINXSAAPBBCLN-UHFFFAOYSA-N", "SMILES:CCCCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCULOFHOCATNHB-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTHPUFVPBPNPD-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPYSMRPYCUVINY-UHFFFAOYSA-N", "SMILES:COCCCn1c(C)nc2ccc(-c3cc(N)nc(N)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSMODPSWXEJLH-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKBACCJVCIHQMK-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDRSWWQYGLOOM-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMMPFLQOCIGRW-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVRJDHSZIESJC-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHTJZFWEQYRYQE-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSUUCXGVOHOFM-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZRAWCBVDRNTDQ-UHFFFAOYSA-N", "SMILES:Cc1oc2ccc(-c3cc(N)nc(N)c3)cc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGXENIKUPHCAF-CYBMUJFWSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGXENIKUPHCAF-ZDUSSCGKSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@H](C)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPJTIYARGTANC-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCUMIOKJQCVBML-GFCCVEGCSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)Oc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCUMIOKJQCVBML-LBPRGKRZSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@H](C)Oc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUKAQLHORTKRT-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1cccc(Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCITBQBYLZFBK-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1cccc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POSGRZQCKOTBHE-LLVKDONJSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)Oc1cccc(Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2208303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERFEVZFDKAIPE-ICSRWYNCSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2208304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERFEVZFDKAIPE-CUVMAEJSSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHTFKWGWZOSSLT-FTJBHMTQSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHTFKWGWZOSSLT-CLJLJLNGSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPXCTIIUXCMDY-RRPNLBNLSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTBTEPSIBEBDX-FTJBHMTQSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1Br)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTBTEPSIBEBDX-CLJLJLNGSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1Br)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCJWUBFGQMXMR-VSGBNLITSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCJWUBFGQMXMR-IZLXSDGUSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVNYMAANDMBNJ-FTJBHMTQSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCMPJODVRWZXLL-LJQANCHMSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NONZLXFUBQFSBF-OXJNMPFZSA-N", "SMILES:C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NONZLXFUBQFSBF-OXQOHEQNSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHJLGRQIRHSGER-GGAORHGYSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHCKIFBNEHPVAG-PKTZIBPZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHCKIFBNEHPVAG-DHIUTWEWSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNIKKZZSGZRBEX-ANJVHQHFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDEKUXJFTPZLIL-FTJBHMTQSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHEJRAABOOBYET-LEWJYISDSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXZBNPEBGYQTN-UXHICEINSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"name": "Neuropeptide FF receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4523416"], "id": "UniProtKB:Q924H0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPYRNXJVNKJULS-FWGIIJIJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"name": "Prolactin-releasing peptide", "xref": ["CHEMBL.TARGET:CHEMBL4523266"], "id": "UniProtKB:P81277", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZORTMDPMZLEID-JHPUGHCGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZAGAMHLSCKAW-FIHPGCAYSA-N", "SMILES:CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBBDCZZCOWFBY-MJSCZTCXSA-N", "SMILES:CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCSVWIWFUOSSGV-KJOWIKPPSA-N", "SMILES:CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAVVASQPMQMZER-DUSRTOIOSA-N", "SMILES:Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDZBUUIBWIGKU-NAQJMGRXSA-N", "SMILES:CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)NCCc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNHKUDZZFZSJB-HLMSNRGBSA-N", "SMILES:Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYPAQFESXRNJZ-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVEUMOAVDZBVON-RUQMXQSSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNCXDBZMFJGEHV-JPVKUASSSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXLTZTRGAWBLIW-VGGLUEFWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJZFYKELDELPE-DAPVHDTESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIOSEINDAPDQJ-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2F)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLJWVFPJIFJQX-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGGCAZXHCNLUCG-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKDDKBZHDERCN-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNVFPWEZUMBSW-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKRGGTXRPCTES-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(C(F)(F)F)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNGIJCNKWGGIRE-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2C#N)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJDGDYSKDYEBE-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULTZMYDUVJVED-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITZTUWADDZCIAR-SARDKLJWSA-N", "SMILES:Cc1ccccc1C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWOACQCOJOTRCY-SARDKLJWSA-N", "SMILES:Cc1cccc(C[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNNHGFUSDYBMIO-SARDKLJWSA-N", "SMILES:Cc1ccc(C[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZKBHMPKOIKKF-CUZNLEPHSA-N", "SMILES:COc1ccccc1C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIDKLCCPGRPDFL-SARDKLJWSA-N", "SMILES:COc1cccc(C[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHMYZDTPLHHGN-SARDKLJWSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCMWXGHZOULIJV-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMQJKCQPSYSIE-BHEJXMHWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccn2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPCIEGTUOEQIM-BHEJXMHWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXNINFJXQFXDN-BHEJXMHWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQJHHRYGMXIPPZ-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPMWTPTHJZGRE-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZQHULIJRZDRDB-XBJFMILWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYORZNUKZSVHLR-XBJFMILWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIEBDUWPNDVKLL-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLXMUHGJZLQVLU-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWXSYIBVVEFFT-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBSERSANVQWMK-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2C(F)(F)F)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFQLGYQPDMXYOB-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFBPOZSYPZYLU-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(C(F)(F)F)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYHEUBCRKZKIA-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2C#N)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYKLXOQMYFGTQ-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZOXTYHYRLKVRU-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(C#N)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGESQMRQAOCJCA-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2F)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWULZQFBEQRNKU-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYHEFIEENRJLM-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXSTEOMZAJUDE-BHEJXMHWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccn2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORCQGHZTDJKZAC-BHEJXMHWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccnc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDMFCWOSBGCHV-BHEJXMHWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccncc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDRQAPNHBJQEQ-CUZNLEPHSA-N", "SMILES:COc1ccccc1C[C@@H]1NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRCGSVRZDDVNZ-SARDKLJWSA-N", "SMILES:COc1cccc(C[C@@H]2NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXASXKALOQVMQO-SARDKLJWSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBONHYCDVNGMW-CIRMSXBNSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)c([N+](=O)[O-])c2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMHQLLUBMJSSK-BHEJXMHWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(F)c2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXSIJFRCDMHANV-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLZMAOHGLYAPKC-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVXCUDTXQLSKN-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASWXAVIFMFKSQP-WLAJPBTHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRIOJFYDHVABKG-BHEJXMHWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGJZVJLJNHFMQY-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWAJDVYYQTJMT-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GISZXSGOPYUBSG-BHEJXMHWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEEUNEDWTAZPNP-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDDBFWQJGEBNI-CUZNLEPHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLATYRCRPHGNBF-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHUTPHLRWEMAP-SARDKLJWSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEBNSHWDLMCIR-JJDCJYGQSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPIEHRACOZOCR-MJNVZNKNSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRZKKJWOWFKEX-GYXDNPSWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWNLUMKVKGLHX-LEXUIDAJSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGEMMGWBVNANOF-KXPJEIABSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJOLPMKMYNJASM-LEXUIDAJSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQIIPBJSAESTH-LEXUIDAJSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULLGJWBOOIOLBR-JJDCJYGQSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLXYRNJXIPQLS-KFAMUQCISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGRXYQYINDLUGY-LEXUIDAJSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLDESWLHKPWRK-UDXVSVLKSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUBMWGPYYHABS-UDXVSVLKSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCUJJDGGZXBHG-CKDDSVJPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTSJRIRLHQPLRF-WBWUMMAUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXCUXGJIQPANJ-WFGKYMDESA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDKNPICIRWTIKQ-WBWUMMAUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOUIJYNTOGETQ-WBWUMMAUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WESCIQMPEZSZFX-WFGKYMDESA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSCHTBGIWQJRQO-KXPJEIABSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKIWHMYQRVZAU-UVHYMYKPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPJPEKWYFOGKEW-SHQZCWFUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIJKSKFMYRYUON-AWBRKJSUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYZTDZBSKUGIQ-AWBRKJSUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZAYPVEKRMKBT-JNRWAQIZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBRJYBMHDPXEW-FRIDQADUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODCRKMIDHTGAE-RMIMYVLFSA-N", "SMILES:CCN(c1cc(-c2ccc(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1837037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXHAZNJVVVBJIF-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKXUAADXAUNSRR-HTICZQJRSA-N", "SMILES:OC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKXUAADXAUNSRR-WBAXXEDZSA-N", "SMILES:O[C@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKXUAADXAUNSRR-ZTFGCOKTSA-N", "SMILES:O[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AINZWNRIKSJRRK-KFZAHXERSA-N", "SMILES:Cc1cccc2c1CC(O)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGIUENNJXNSNR-KKLGJNPISA-N", "SMILES:Cc1ccc2c(c1)CC(O)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDCXBLIOHUHHNV-KKLGJNPISA-N", "SMILES:Cc1ccc2c(c1)-n1c(nnc1[C@H]1CC[C@H](Oc3ccccn3)CC1)CC(O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBGRZEFEOOMVFN-WDSOQIARSA-N", "SMILES:Cc1cccc2c1-n1c(nnc1[C@H]1CC[C@H](Oc3ccccn3)CC1)C[C@@H](O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBGRZEFEOOMVFN-BHIYHBOVSA-N", "SMILES:Cc1cccc2c1-n1c(nnc1[C@H]1CC[C@H](Oc3ccccn3)CC1)C[C@H](O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLUOFWDDQWQPZ-FQEVSTJZSA-N", "SMILES:Cc1cccc2c1-n1c(nnc1C1CCN(c3ccccc3)CC1)C[C@@H](O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLUOFWDDQWQPZ-HXUWFJFHSA-N", "SMILES:Cc1cccc2c1-n1c(nnc1C1CCN(c3ccccc3)CC1)C[C@H](O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGKVRNBKCWSYNC-CMTYHBQSSA-N", "SMILES:OC1Cc2c(Cl)cccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBLLRCOZJMVOAE-HSQYWUDLSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c3nc4ccccc4s3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNKQPWXEHPYJAU-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc21)N(Cc1cccc(Cl)c1)c1ccc(-c2cn[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQTRFDLUODRJKC-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc21)N(Cc1cccc(Cl)c1)c1ccc(-c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFIKGDQQRLTFJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccnc1)N(Cc1cccc(Cl)c1)c1ccc(-c2cn[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQKYYKUPSYGXIW-UHFFFAOYSA-N", "SMILES:O=C(Cc1cncnc1)N(Cc1cccc(Cl)c1)c1ccc(-c2cn[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCKMJWOFMCSMEX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAOAMZOGXBMLFQ-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCCCCCN"]}
{"name": "Deoxyhypusine synthase", "xref": ["CHEMBL.TARGET:CHEMBL4415"], "id": "UniProtKB:P49366", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKRACGATVFIBE-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccc(I)cc2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKHYWQRIBYDBV-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2cccc(I)c2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKVIUDUVNSJZOD-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccc(Br)cc2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHUJQOPDPSJGIF-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2cccc(Br)c2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDYDRMHLPAPLNY-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccc(Cl)cc2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVGICCPIJYDIF-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2cccc(Cl)c2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSHAALKFMBRKR-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccc(F)cc2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCKPUQPQYJFKN-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2cccc(F)c2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXFUDMGBYNZEN-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccccc2F)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLXJVAMBNIQAME-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(N)c(Oc3ccccc3OC)c(OCCO)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCUCBJAIBPDUSH-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccc(C)cc2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRVTVSZSKHWSBE-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2cccc(C)c2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWWHAWLYKYRLIV-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(Cc2ccccc2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYZIOKIKWUSCOE-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccccc2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZORLABITIRVBT-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccc(I)cc2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQTPWOFHMLPFAK-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2cccc(I)c2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTXLCFBIYCONW-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccc(Br)cc2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSIOMCDXMIYZNN-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2cccc(Br)c2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQCFHBWSTVOVLA-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccc(Cl)cc2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIGKJYKSGTABZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2cccc(Cl)c2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSZQPNFSSNVFL-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccc(F)cc2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVKBNCOLWHNRBR-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccccc2F)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBBKVRMNTFQDHZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)c(Oc3ccccc3OC)c(Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXYUELRCAJWRK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(N)c(Oc3ccccc3OC)c(Cl)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPPPIACMMUTBG-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccc(C)cc2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVPYYONYFXUAM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2cccc(C)c2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDNKLZTNRQIGX-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(Cc2ccccc2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAALPFPZMKVYGK-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(N)nc(-c2ccccc2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090754", "category": ["biolink:ChemicalEntity"], "name": "SY-5609", "xref": ["InChIKey:JDJOUBVVSQDIRC-AWEZNQCLSA-N", "SMILES:CC1(C)CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)CN1"], "synonym": ["Sy 5609", "Sy-5609", "SY5609"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPRNVGKMHMUEF-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3CN(C)CC(=O)N3C)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209441", "category": ["biolink:ChemicalEntity"], "name": "SOFNOBRUTINIB", "xref": ["InChIKey:RQYDQAPLARKISN-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cn1"], "synonym": ["Sofnobrutinib", "Sofnobrutinib", "Sofnobrutinib", "AS-0871"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNEODWDFDXWOLU-HSZRJFAPSA-N", "SMILES:C[C@@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCUIKPUGNWBHF-UHFFFAOYSA-N", "SMILES:CC(C)OC1CN(C(=O)NCc2ccc(-c3ccnc(Nc4cnn(C)c4)n3)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUQSPJXUDQIVLK-UHFFFAOYSA-N", "SMILES:CC(C)OC1CN(C(=O)NCc2ccc(-c3ccnc(Nc4cnn(C)c4)n3)cc2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVLGSOGJZQQLR-UHFFFAOYSA-N", "SMILES:Cc1c(CNC(=O)N2CC(OC(C)C)C2)ccc(-c2ccnc(Nc3cnn(C)c3)n2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQIMCSCOQKRHU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1C(C)NC(=O)N1CC(OC(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWYTLKXLICABQ-UHFFFAOYSA-N", "SMILES:CC(C)OC1CN(C(=O)NC2CCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIOOQODOSHJLA-UHFFFAOYSA-N", "SMILES:CC(C)OC1CN(C(=O)NC2CCCCC3C=C(c4ccnc(Nc5cnn(C)c5)n4)C=CC32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYNHKNQQFCVJGQ-XMMPIXPASA-N", "SMILES:CC(C)OC1CN(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFMFPBUOZVABC-UHFFFAOYSA-N", "SMILES:CC(C)OC1C(C)N(C(=O)NC2CCCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYTHEXHGXNUONU-UHFFFAOYSA-N", "SMILES:CC(C)CC1(O)CN(C(=O)NC2CCCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASOTWJPFLYDQES-UHFFFAOYSA-N", "SMILES:CC(C)C1CCN(C(=O)NC2CCCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXYGMMURHGUHKD-JGKWMGOWSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)N3CC[C@@H](C(C)(C)C)C3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIZAKWUPGYKSU-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3cnc(C(C)(C)C)nc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXVBSIDRPTSOV-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3cnc(C(C)(C)C)s3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYEIKZZQEPGVSW-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3nnc(C(C)(C)C)s3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQLBEZLARAKITM-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3nnc(C(C)(C)C)n3C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDWCUZDAXLKFU-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3cn(C(C)(C)C)nn3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKPUZLXOHJPCQN-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3nnc(C(C)(C)C)o3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUENPJLKDXSHQQ-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3noc(C(C)(C)C)n3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJSVDEOHWCABIZ-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C(C)(C)C)no3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKPUZLXOHJPCQN-OAQYLSRUSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUENPJLKDXSHQQ-OAQYLSRUSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3noc(C(C)(C)C)n3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJSVDEOHWCABIZ-OAQYLSRUSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDWCUZDAXLKFU-JOCHJYFZSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3cn(C(C)(C)C)nn3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSANFPKPFUBFMG-OAQYLSRUSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CCNC[C@H]4NC(=O)c3cn(C(C)(C)C)nn3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUKNIJRZTUQBU-OAQYLSRUSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CNCC[C@H]4NC(=O)c3cn(C(C)(C)C)nn3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDNMYIXERDEFH-JOCHJYFZSA-N", "SMILES:CN1CC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)c2ccc(-c3ccnc(Nc4cnn(C)c4)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSHLFAGIBAPNW-JOCHJYFZSA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CN(CC(F)(F)F)CC[C@H]4NC(=O)c3cn(C(C)(C)C)nn3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXARGYHIWJRJZ-XMMPIXPASA-N", "SMILES:COCCN1CC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)c2ccc(-c3ccnc(Nc4cnn(C)c4)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083772", "category": ["biolink:ChemicalEntity"], "name": "BIIB-091", "xref": ["InChIKey:JSAQBOQCZJHWMA-XMMPIXPASA-N", "SMILES:Cn1cc(Nc2nccc(-c3ccc4c(c3)CN(C3COC3)CC[C@H]4NC(=O)c3cn(C(C)(C)C)nn3)n2)cn1"], "synonym": ["Biib-091", "Biib091"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBXNYTXHLBRME-JOCHJYFZSA-N", "SMILES:CN1CCc2cc(-c3ccnc(Nc4cnn(C)c4)n3)ccc2[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1"]}
{"name": "CD63 antigen", "xref": ["CHEMBL.TARGET:CHEMBL3713303"], "id": "UniProtKB:P08962", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTOAMCQQWXLGKV-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2(Cn3cncn3)COC(c3cc4ccc(Cl)cc4s3)=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDRXGGWSEWGELG-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2(Cn3cncn3)COC(c3cc4ccc(Cl)cc4s3)=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDJGFAEJDZABQ-JOCHJYFZSA-N", "SMILES:c1ccc([C@]2(CCNCc3scc4c3COC4)CCOC3(CCCC3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQRPUWVARQWGAT-JOCHJYFZSA-N", "SMILES:FC1(F)Cc2csc(CNCC[C@@]3(c4ccccn4)CCOC4(CCCC4)C3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFUSVPBQDRZKX-HSZRJFAPSA-N", "SMILES:FC1(F)CCc2csc(CNCC[C@@]3(c4ccccn4)CCOC4(CCCC4)C3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILILGGPBJCSIFA-NHCUHLMSSA-N", "SMILES:COc1ccsc1CNCC[C@@]1(c2ccccn2)CCO[C@]2(CCOC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILILGGPBJCSIFA-RTWAWAEBSA-N", "SMILES:COc1ccsc1CNCC[C@@]1(c2ccccn2)CCO[C@@]2(CCOC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNAVSUOMXGYIRE-ZMFCMNQTSA-N", "SMILES:Clc1cccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCOC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUCHNFGHUDYZGD-ZMFCMNQTSA-N", "SMILES:Fc1ccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCOC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOYZHHVWNDKPQ-ZMFCMNQTSA-N", "SMILES:c1ccc([C@]2(CCNCc3scc4c3COC4)CCOC3(CCOC3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWZJSZPLJQSIA-WTQRLHSKSA-N", "SMILES:FC1(F)CCc2c(csc2CNCC[C@@]2(c3ccccn3)CCOC3(CCOC3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPKLBALPSZKICW-FIWHBWSRSA-N", "SMILES:Clc1ccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCOC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTBSXKNJCNNQFE-DHIUTWEWSA-N", "SMILES:c1ccc([C@]2(CCNCc3scc4c3CCC4)CCO[C@]3(CCOC3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDBYXSKOJNEYQG-WTQRLHSKSA-N", "SMILES:Cc1cccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCOC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZDFWHQTVHQAQX-MIHMCVIASA-N", "SMILES:Cc1cc(C)cc(CNCC[C@@]2(c3ccccn3)CCOC3(CCOC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBKLHQHKKFTLB-DCWQJPKNSA-N", "SMILES:c1ccc([C@]2(CCNCc3ccc4ccccc4c3)CCOC3(CCOC3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGPZXJXMNLMEI-ZMFCMNQTSA-N", "SMILES:c1ccc([C@]2(CCNCC3CCCCC3)CCOC3(CCOC3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMGNJLAUHBTNLF-DHIUTWEWSA-N", "SMILES:Fc1ccc([C@]2(CCNCc3scc4c3CCC4)CCO[C@]3(CCOC3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDEAHPKUJXNLGH-FGZHOGPDSA-N", "SMILES:Fc1ccc([C@]2(CCNCc3cccc(Cl)c3)CCO[C@]3(CCOC3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWKQIRFWSXKXHI-DNQXCXABSA-N", "SMILES:Fc1ccc([C@]2(CCNCc3scc4c3CCCC4)CCO[C@]3(CCOC3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUOBGXWRKRCQN-MIHMCVIASA-N", "SMILES:Fc1ccc([C@]2(CCNCc3scc4c3CCC4)CCOC3(CCOC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJABXICBTCIMFX-VQCQRNETSA-N", "SMILES:Fc1ccc([C@]2(CCNCc3cccs3)CCOC3(CCOC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGQPFCPXEPWHAP-ZMFCMNQTSA-N", "SMILES:Cc1ccsc1CNCC[C@@]1(c2ccc(F)cc2)CCOC2(CCOC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWZEWKYWRNFNJ-WTQRLHSKSA-N", "SMILES:Fc1ccc([C@]2(CCNCc3scc4c3COC4)CCOC3(CCOC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXJTECCVFNTAN-ZMFCMNQTSA-N", "SMILES:Fc1ccc([C@]2(CCNCc3cncc(Cl)c3)CCOC3(CCOC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARKWMWNNFDKQEQ-HSZRJFAPSA-N", "SMILES:Fc1ccc([C@]2(CCNCc3scc4c3CCC4)CCOC3(CCOCC3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFLVQULIQDDSN-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQJFRBEIOAQNT-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXSLSJEOUOJBB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOUHNBOXJIELS-UHFFFAOYSA-N", "SMILES:c1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGHKNJZKCDAKF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDUUSQSMVRZHV-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OICKVPGRZUWXPB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMAPTHRNJHOVDP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXVWXYOCYXZGCZ-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZZMUIJVVAGHJA-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZBBCABYMCSGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWUTAYHWCWNFP-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCXPEPDTZGHNO-UHFFFAOYSA-N", "SMILES:c1csc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJUNPBBKTNPXAO-UHFFFAOYSA-N", "SMILES:c1coc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVPVCPBGAFXJA-UHFFFAOYSA-N", "SMILES:c1nc(N2CCOCC2)c2c(-c3ccoc3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSJSVHCOJILSCM-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2c[nH]c3ncnc(N4CCCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVELYDDHAUZMMJ-UHFFFAOYSA-N", "SMILES:OC1CCN(c2ncnc3[nH]cc(-c4cccc(Cl)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRFSYHNZNAAKZ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncnc3[nH]cc(-c4cccc(Cl)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQJDPSBBHHYXOK-UHFFFAOYSA-N", "SMILES:CC1(O)CCN(c2ncnc3[nH]cc(-c4cccc(Cl)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKDYHDTDSBKKV-UHFFFAOYSA-N", "SMILES:CNC1CCN(c2ncnc3[nH]cc(-c4cccc(Cl)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRVYPOFYQSRNH-UHFFFAOYSA-N", "SMILES:CC(=O)NC1CCN(c2ncnc3[nH]cc(-c4cccc(Cl)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGACVLPEELTUQG-UHFFFAOYSA-N", "SMILES:CN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBCNAMQWNEPEP-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2c[nH]c3ncnc(NCC4CC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKQLNNVJKSTDGB-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZIPVCYYDYBQOZ-UHFFFAOYSA-N", "SMILES:CN(CCO)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMKVQZVEVRANJ-UHFFFAOYSA-N", "SMILES:CCN(CCO)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMUOPBMRTBMZGB-UHFFFAOYSA-N", "SMILES:OCCCNc1ncnc2[nH]cc(-c3cccc(Cl)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOLWWBENMZSKJ-UHFFFAOYSA-N", "SMILES:CC(CO)CN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYGHHMMMYPPFQA-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2n[nH]c3ncnc(N4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHTWDJBVZQBRKP-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459008", "category": ["biolink:ChemicalEntity"], "name": "BUTYLPARABEN", "xref": ["InChIKey:QFOHBWFCKVYLES-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)c1ccc(O)cc1"], "synonym": ["Butyl parahydroxybenzoate", "Butylparaben", "Butyl hydroxybenzoate", "Butyl p-hydroxy benzoate", "Butyl p-hydroxybenzoate", "Butyl paraben", "Butylparaben", "FEMA NO. 2203", "NSC-13164"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL251254", "category": ["biolink:ChemicalEntity"], "name": "HYPEROSIDE", "xref": ["InChIKey:OVSQVDMCBVZWGM-DTGCRPNFSA-N", "SMILES:O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5080678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSSJIDFZJTWLZ-UHFFFAOYSA-N", "SMILES:C[S+]([O-])c1sc(Cl)c2c1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3183502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGKEVWFBOUAND-UHFFFAOYSA-N", "SMILES:Oc1ccc(Sc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJPKQSSFYHPYMH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cl)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZMEKHQIZSZOH-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPAOAXAAABIQKR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5082914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMGOWQHLJWQJN-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(NCc3nc4cc(F)c(NCCCCCCCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4[nH]3)nc(N3CCOCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHJWAMLODRXST-LIRRHRJNSA-N", "SMILES:C[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(OCc3cccc(F)c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHJWAMLODRXST-KUHUBIRLSA-N", "SMILES:C[C@@H]1C[C@@H](C(N)=O)N(Cc2ccc(OCc3cccc(F)c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUIJOPFKWJLMRD-WMZOPIPTSA-N", "SMILES:NC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQAIMOYHJBOUSX-WMZOPIPTSA-N", "SMILES:NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQAIMOYHJBOUSX-AEFFLSMTSA-N", "SMILES:NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQAIMOYHJBOUSX-FUHWJXTLSA-N", "SMILES:NC(=O)[C@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHXKQHSRZSQCNV-HKUYNNGSSA-N", "SMILES:Cc1cc(OCc2cccc(F)c2)ccc1CN1C[C@@H](F)C[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JULMJMZTVWFIQX-YJBOKZPZSA-N", "SMILES:NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JULMJMZTVWFIQX-QAPCUYQASA-N", "SMILES:NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUXCFUQZYKFDBS-YJBOKZPZSA-N", "SMILES:NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTXWTOJZQGKDP-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc(C(=O)NC(=N)N)c(N)nc2N2CCCCCC2)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRTYWTZNPXFRQK-UHFFFAOYSA-N", "SMILES:N=C(N)NC(=O)c1nc(-c2cnc(N)nc2)c(N2CCCCCC2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGYFQDKMRBURI-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc(C(=O)NC(=N)N)c(N)nc2N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NURGQGCOEFLLOU-IADYIPOJSA-N", "SMILES:CO/N=C(\\C(=O)N1CCN(c2ccc3c4c(cccc24)C(=O)N(CCN(C)C)C3=O)CC1)c1csc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRQNXQTMJUDBQ-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)Oc1ccccc1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74926", "category": ["biolink:ChemicalEntity"], "name": "PHENSERINE", "xref": ["InChIKey:PBHFNBQPZCRWQP-QUCCMNQESA-N", "SMILES:CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL129837", "category": ["biolink:ChemicalEntity"], "name": "4-ISOPROPYLPHENSERINE", "xref": ["InChIKey:NKJRRVBTMYRXRB-GGAORHGYSA-N", "SMILES:CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1081032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSMWANBXVVPETF-XCZPVHLTSA-N", "SMILES:CN1c2ccc(OC(=O)NCC3CCCCC3)cc2[C@]2(C)CCN(CCc3ccccc3)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL362444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTKNVLLWOLCOV-PYMCNQPYSA-N", "SMILES:CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCOC1N2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5090683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZHVLKHFYAVTB-PYMCNQPYSA-N", "SMILES:CCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCOC1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIYIAVWWIGXXBQ-QWAKEFERSA-N", "SMILES:CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCOC2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1081031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVYFUQBPJZPMS-BDYUSTAISA-N", "SMILES:CN1c2ccc(OC(=O)NC3CCCCC3)cc2[C@]2(C)CCN(CCc3ccccc3)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1512476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBPYTDZHCNJRBY-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYASXNGSXHIQKJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1ccccc1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHJZBOKOZOHETK-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Oc1ccccc1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJDYSQRUMRMPQC-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Oc1ccccc1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJTWDQILVMXKED-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)C(=O)Oc1ccccc1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJWNNCZUKQAOA-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1OC(=O)N(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWXNIPCCRHONEN-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1OC(=O)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUYMKYBDBAIQA-UHFFFAOYSA-N", "SMILES:CN(C(=O)Oc1ccccc1C(=O)NCCc1c[nH]c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLDSCWRJNBDQK-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1OC(=O)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWODWHGHVWSIC-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1OC(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQQSYVUWOFDHIV-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1OC(=O)N1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBJGXDJYDRIGGR-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1OC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAIHLJAYGYHXQB-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1OC(=O)N1CCSCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMEFTODUZOAEDS-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Oc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJUNWNPIDRMNQ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccccc1OC(=O)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHRJZCNFZAWJL-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)Oc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPCNEUGIQMAJPI-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)Oc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVBVBVWWJNRJG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJYVWFBJGAQXNJ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPIGBGHQIBPCH-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFUMORCVIQBUAQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWSSZVXRKSODH-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2299364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGLUQBJFCWTSP-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHGJQDLEDVMKLL-UHFFFAOYSA-N", "SMILES:COc1cc(CCNC(=O)Nc2ccc(Cl)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJYORIXDVZIGTB-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBUCSOBEYHPPY-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVVQPHOBLCATRX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXCHKKIAAFBOH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(CCNC(=O)Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMOBTPOOIVNICU-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWBUXPKVGGPSAB-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXXFDHGFTYTJP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLBYOCJWGWKFN-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(Br)c1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHKPDLNTFWNNJ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(Br)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMCUWSJHBAMJQK-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1F)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUSKGQWURVSHB-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(F)c1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMQUKDRKOGVTPK-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(F)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITUBGFFNXBXGLI-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1Cl)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPKIPROVSKBYAT-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(Cl)c1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1715149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKQWOBMVIXJPHC-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZPWWKGUCULETK-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1C(F)(F)F)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDXGOFSJODBRFM-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATXYMOVNGVBHT-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MERGDUFFWFLDNT-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(OC(F)(F)F)c1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUGCTTMCEVURLT-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZICQVPOYMSMEKA-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEDXATPZYFBFQH-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c(F)cccc1Cl)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGUHTUUEIFLFJ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c(F)cc(F)cc1F)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBLXAKNQNFBEDB-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBYPSSINFQPBIJ-UHFFFAOYSA-N", "SMILES:O/N=C(\\Nc1ccc(F)c(Cl)c1)c1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZPKPQLSRJDJRR-UHFFFAOYSA-N", "SMILES:O/N=C(\\Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWDQWPSFACHSI-UHFFFAOYSA-N", "SMILES:O/N=C(\\Nc1ccc(F)c(Br)c1)c1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OILRFSFBMHTFRA-UHFFFAOYSA-N", "SMILES:O/N=C(\\Nc1cccc(Br)c1)c1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHPORMCSRDVNM-UHFFFAOYSA-N", "SMILES:O/N=C(\\Nc1ccc(F)c(Cl)c1)c1cnc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIXAOFUSRBBKOS-UHFFFAOYSA-N", "SMILES:O/N=C(\\Nc1ccc(F)c(Cl)c1)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKWLMOJOAGADJF-UHFFFAOYSA-N", "SMILES:O/N=C(\\Nc1cccc(Br)c1)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDWQKVBIPDMHS-UHFFFAOYSA-N", "SMILES:Cc1ccc(/C(=N/O)Nc2cccc(Br)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHQAALQBGUZMNY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(/C(=N/O)Nc2cccc(Br)c2)s1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDMLICWPKOIDEC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(/C(=N/O)Nc2cccc(Br)c2)s1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZAWQDKZZYRIME-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)NCc2ccc(/C(=N/O)Nc3cccc(Br)c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEXOOHGCRLYWJS-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(/C(=N/O)Nc2cccc(Br)c2)s1)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNFPLHHTNFIKT-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)NCc2ccc(/C(=N/O)Nc3cccc(Br)c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQUICIIHACOCS-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(/C(=N/O)Nc2cccc(Br)c2)s1)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJJQYQMDMYORC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)NCc1ccc(/C(=N/O)Nc2cccc(Br)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJZOZBHFODVLOX-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(/C(=N/O)Nc2cccc(Br)c2)s1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDTSDVKHBVGAHS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)NCc2ccc(/C(=N/O)Nc3cccc(Br)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKJUZMCJNOVUQG-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(/C(=N/O)Nc2cccc(Br)c2)s1)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJGPXYWPIBEPHB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)NCc2csc(/C(=N/O)Nc3cccc(Br)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPLRDORLSYDLT-UHFFFAOYSA-N", "SMILES:O=C(NCc1csc(/C(=N/O)Nc2cccc(Br)c2)c1)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPKWNDIGIKBJH-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)NCc2csc(/C(=N/O)Nc3cccc(Br)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDQXEZZOPXYXAQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1csc(/C(=N/O)Nc2cccc(Br)c2)c1)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBMMCQRIBVYLY-UHFFFAOYSA-N", "SMILES:O=C(NCc1csc(/C(=N/O)Nc2cccc(Br)c2)c1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYLCEMCFOZIOT-UHFFFAOYSA-N", "SMILES:O=C(NCc1csc(/C(=N/O)Nc2cccc(Br)c2)c1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVDRAMHWROBCPQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1csc(/C(=N/O)Nc2cccc(Br)c2)c1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFCKWRZWHDYEJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1csc(/C(=N/O)Nc2cccc(Br)c2)c1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPOJBXKCGXWFV-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCN(C(C)C)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBMUGXVSJZWGW-QAQDUYKDSA-N", "SMILES:O=S(=O)(Nc1ccc(-c2nc(O[C@H]3CC[C@H](O)CC3)c3cn[nH]c3n2)cc1)c1cc(Cl)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKMBVWVIQHGQEM-OAHLLOKOSA-N", "SMILES:O=C(N[C@@H]1CCNC1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGILVONNASJJBC-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCDFLGVVGNVGJ-SFHVURJKSA-N", "SMILES:CC(C)N1CC[C@H](NC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEWXFHKJUNUDM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C2CC2)C1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTZEJHKXDQMGS-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CCO)C1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCDRQWMEQBGOG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CC2CC2)C1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPDNJNNNAMOOM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOKKQYRTVORAO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIQFPLICHGGIFM-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJWGFTVRAIZGR-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQIGGAOLXBWEBA-UHFFFAOYSA-N", "SMILES:CN(CCO)C(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRFOBRHUXXIHQ-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJBFGZDKVLBAX-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFRQUFJHKWHKIK-UHFFFAOYSA-N", "SMILES:CN1CC(NC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZRBSJZDMUBTSX-UHFFFAOYSA-N", "SMILES:CN1CCC(CNC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRGTVQWOVBNGK-UHFFFAOYSA-N", "SMILES:CCN1CCC(CNC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZYFOVJKKQKBEY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc[nH]1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRTBAKKQGMRVFR-UHFFFAOYSA-N", "SMILES:O=C(NCc1nn[nH]n1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFBATIKZERCDEU-UHFFFAOYSA-N", "SMILES:O=C(NCc1nncs1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMSSDJMQJGNNI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cocn1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZDRGLRZUDJIM-UHFFFAOYSA-N", "SMILES:Nc1nc(CNC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWRKWNOQFFAQLD-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncn[nH]1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHDESLMDPJXQC-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cc[nH]n1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWOBHUZLPZRSLK-UHFFFAOYSA-N", "SMILES:O=C(NCCn1cnnc1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYIKAHZTFTUSJO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ncc3c(N)n[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBPFXJMLANDAO-UHFFFAOYSA-N", "SMILES:CCOc1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3F)cc2)nc2[nH]nc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVQOIJZVHOKFNE-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OCCC(=O)N(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWBCRURJFFDOF-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OCCCN)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBUPCHFLQXUXJT-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OCC(F)(F)CN)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTKXAVLOSJXTNK-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OCC3(CN)COC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYACDGIMOLWRBV-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OCC(CO)CO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTUBRIYSDWLPQ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIKSGQZEVRFLB-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCC(=O)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHKQZFRXVLCAZ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCC(O)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSDGLCKPEAGEKW-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OCCCO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGUVIWFOUJFET-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(Oc3ccc(O)nc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQGHXCLMUKZGM-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(Oc3ccc(N)nc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEUPKJOZIACQY-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OCC3CN(C(C)C)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHVABRSDJFCWOJ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OCC3CNCCO3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGITBJHMGIOAT-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCCNC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWAEMQJJOOLFP-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCNCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFIJFMVDNQSLIM-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CC(C)(C)NC(C)(C)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFYIBBKRENLVGQ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CC(C)(C)N(C)C(C)(C)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGGNEMNJKLCCLN-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCNCC3(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHMMKRNBBGOOLF-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCNCC3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFYBSUHXWHOAN-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCN(CC(F)(F)F)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMBJZUWRYFAXPW-UHFFFAOYSA-N", "SMILES:CCN1CCC(Oc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc3[nH]nc(C)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMFAYLRGUNDRI-UHFFFAOYSA-N", "SMILES:CCN1CCCC(Oc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc3[nH]nc(C)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUQGZQADBBNITL-UHFFFAOYSA-N", "SMILES:COCCN1CCC(Oc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc3[nH]nc(C)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCUOPUYDCNYOE-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCN(C4CC4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBNNXCKHRKSGSU-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQAKQMPWEPLRDF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHISIRECMNUGC-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPEDNDFGNVYDSZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc[nH]n1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12"]}
{"name": "Serine/threonine-protein kinase Sgk1", "xref": ["CHEMBL.TARGET:CHEMBL3988610"], "id": "UniProtKB:Q9WVC6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHSQUDVWHPKAL-UHFFFAOYSA-N", "SMILES:CCCSc1nc(Sc2nccs2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMGFWDVHOLYJN-UHFFFAOYSA-N", "SMILES:C=CCSc1nc(Sc2nccs2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPBXPZHWLJAEQA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCC3CCCCC3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORWPAMLRFHZVKN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJPNZXZAWZJQR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccncc3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVLAFVQSGCKUOL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccoc3C(F)(F)F)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APIWHNODJXQXDU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3nc4ccccc4[nH]3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOJWLDSZVBUUFP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3c(C)noc3C)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSTABZRMZSRHTO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCCc3ccccc3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWOIYSVUCDACE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCC(=O)Nc3ccccc3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGSWPPCXIQBLX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCC(=O)NC(=O)Nc3ccccc3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMVLYUNNEMHXRY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3)nc(Sc3nnnn3C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMNXMOHYXQHEY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3)nc(Sc3nnnn3CCN(C)C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKBDPTXFCQDLCJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3)nc(Sc3nc(C)cs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUEVJFDYYRBRST-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3)nc(Nc3cccc(Cl)c3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQACLBBRGIGEI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3cccc(C(F)(F)F)c3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQCIEYAZOQCXRX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(C(F)(F)F)cc3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXGRYKGFUIPGKJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3cccc(C)c3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLXWCNABWFGGC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(C)cc3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQFSGTZNXVWBJU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3C)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHTKZZSSLHRZSP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(C(C)(C)C)cc3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZEHSMPLAYHMCP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(Cl)cc3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITEYFSBDYFNGHN-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nc(Sc3nccs3)c(C#N)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGEWGDSOPKRVBG-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CSc2nc(Sc3nccs3)c(C#N)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVUIRASAIRJIM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc4ccccc4c3)nc(Sc3nccs3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSQSPGROIHZGA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3cccc(C(F)(F)F)c3)nc(Sc3nnnn3C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEMAPPGDKORLJQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(C(F)(F)F)cc3)nc(Sc3nnnn3C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZPHQPTGZBOHB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(Cl)cc3)nc(Sc3nnnn3C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAODDEWCCAQYKJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nc(Sc3nnnn3C)c(C#N)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTFZJXDCONLEI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc4ccccc4c3)nc(Sc3nnnn3C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHPMOZSRLIZVTN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3cccc(C)c3)nc(Sc3nnnn3C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZXGYGPMTKTJOP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(C(C)(C)C)cc3)nc(Sc3nnnn3C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJYXXJWATXSKC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(C)cc3)nc(Sc3nnnn3C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMUPANJBQWOYAW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3cccc(C(F)(F)F)c3)nc(Sc3nnnn3CCN(C)C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACCBUOUJGNPCSS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(C(F)(F)F)cc3)nc(Sc3nnnn3CCN(C)C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWVCEWHJNIBKMQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(Cl)cc3)nc(Sc3nnnn3CCN(C)C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXLFEYDXGGWCS-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nc(Sc3nnnn3CCN(C)C)c(C#N)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLAXDJPKEZXJJM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc4ccccc4c3)nc(Sc3nnnn3CCN(C)C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQJDMOSIBVOHE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3cccc(C)c3)nc(Sc3nnnn3CCN(C)C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBIJGRHUNXDTM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(C)cc3)nc(Sc3nnnn3CCN(C)C)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSXYCQFZOWAIP-UHFFFAOYSA-N", "SMILES:C#CCSc1nc(Sc2nccs2)c(C#N)c(-c2ccc(C)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVADDHHFVAMHDS-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc(Sc3nccs3)c(C#N)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLGLSUFQDIKFU-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc(Sc3nccs3)c(C#N)c(-c3ccccc3C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBKMQGATVZMUTQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc(Sc3nccs3)c(C#N)c(-c3cccc(C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGMTMSGXVDYRD-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc(Sc3nccs3)c(C#N)c(-c3ccc(C)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFIROYQWYEDFM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCc3ccc(C)cc3)nc(Sc3nccs3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOWZLAWEPKZMR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc(Sc3nccs3)c(C#N)c(-c3ccc(Cl)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLLAIQCFJYKFD-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc(Sc3nccs3)c(C#N)c(-c3ccc(Br)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAALYPFFRFEPDU-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc(Sc3nccs3)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWRKFCQVMXUGP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCc3ccc(C)cc3)nc(Sc3nccs3)c2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIZKDKNIAMFREC-UHFFFAOYSA-N", "SMILES:C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHPVOWOEJUHCQM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(Sc3nnnn3C)nc(SCc3ccc(Cl)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTATIAFYCWPNJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(Sc3nnnn3C)cc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1"]}
{"name": "DCN1-like protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4295894"], "id": "UniProtKB:Q8IWE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DCN1-like protein 4", "xref": ["CHEMBL.TARGET:CHEMBL4295914"], "id": "UniProtKB:Q92564", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DCN1-like protein 5", "xref": ["CHEMBL.TARGET:CHEMBL4295937"], "id": "UniProtKB:Q9BTE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYDISBTKJCIEQ-MRXNPFEDSA-N", "SMILES:CC(=O)N[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYDISBTKJCIEQ-INIZCTEOSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRCCSOCQBOALEE-GOSISDBHSA-N", "SMILES:C#CCCC(=O)N[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSGCRLCBCNPVAG-GOSISDBHSA-N", "SMILES:[N-]=[N+]=NCCCCC(=O)N[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSGCRLCBCNPVAG-SFHVURJKSA-N", "SMILES:[N-]=[N+]=NCCCCC(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHVLFSGMSULGK-HXUWFJFHSA-N", "SMILES:[N-]=[N+]=Nc1ccc(C(=O)N[C@H](CCCCNC(=O)CCCc2ccc(I)cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHVLFSGMSULGK-FQEVSTJZSA-N", "SMILES:[N-]=[N+]=Nc1ccc(C(=O)N[C@@H](CCCCNC(=O)CCCc2ccc(I)cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDWANJSBHDMLJ-NRFANRHFSA-N", "SMILES:Cc1ccc(CCCC(=O)NCCCC[C@H](NC(=O)c2ccc(N=[N+]=[N-])cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVJARRSBSXTLE-FQEVSTJZSA-N", "SMILES:[N-]=[N+]=Nc1ccc(C(=O)N[C@@H](CCCCNC(=O)CCCc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUHBTGXGDITREN-FQEVSTJZSA-N", "SMILES:[N-]=[N+]=Nc1ccc(C(=O)N[C@@H](CCCCNC(=O)CCCc2ccc(F)cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUVARVAKAPUZQR-FQEVSTJZSA-N", "SMILES:[N-]=[N+]=Nc1ccc(C(=O)N[C@@H](CCCCNC(=O)CCCc2ccc(Cl)cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYIEIJLVKKLQP-FQEVSTJZSA-N", "SMILES:[N-]=[N+]=Nc1ccc(C(=O)N[C@@H](CCCCNC(=O)CCCc2ccc(Br)cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUXPEAYTUHFCGA-FQEVSTJZSA-N", "SMILES:[N-]=[N+]=Nc1ccc(C(=O)N[C@@H](CCCCNC(=O)CCCc2ccc(C(F)(F)F)cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHAZMEKOYAWVDW-IMMUGOHXSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCCCC[C@H](NC(=O)c2ccc(N=[N+]=[N-])cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSSQYIBOPFWIP-QFIPXVFZSA-N", "SMILES:C#Cc1ccc(C(=O)N[C@@H](CCCCNC(=O)CCCc2ccc(I)cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYUWWIAURWFPC-SKCDSABHSA-N", "SMILES:O=C(O)CN1CCN(CC(=O)O)CCN(C(CCC(=O)N[C@@H](CCCCNC(=O)CCCc2ccc(I)cc2)C(=O)O)C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEZSXDCSQLAHR-JOCHJYFZSA-N", "SMILES:O=C(CCCc1ccc(I)cc1)NCCCC[C@H](C(=O)O)n1cc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLWZCMMMUKCQS-INIZCTEOSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDIVPYPUQJSWBO-KRWDZBQOSA-N", "SMILES:COC(=O)[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPMXZSLIHIRWNX-NSHDSACASA-N", "SMILES:NC(=O)[C@H](CC(=O)O)NC(=O)CCCc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVFLJBSHVSTPLJ-LBPRGKRZSA-N", "SMILES:NC(=O)[C@H](CCC(=O)O)NC(=O)CCCc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEOCDMQSNMITJA-SSEXGKCCSA-N", "SMILES:O=C(CCCc1ccc(I)cc1)NCCCC[C@@H](NC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086057", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087277", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089315", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087925", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092357", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078260", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078027", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078119", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYPGEHCQOEDBY-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKUSUGFYRZVKW-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cnc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWUBIRPHWCHAFE-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXLOUMORQVBME-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLQMBSNJUUTEB-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2ccc3cnccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDCPXPCSFNJNGD-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2ccc3ccncc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTHGPIVWJXBLBZ-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2ccc3cnccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCLYPPRQZTIBB-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXOLQFKWRYZSF-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOCUUNQBCZHNKR-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQWSYQESDBZGK-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBXRYGSCZALTN-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4597954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRNFHJXEIFRTK-OUKQBFOZSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWYWFCVBDDHXMR-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQSXOWFTQFYTI-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFXDFXFTOFPLSX-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAOLANZJIDREED-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTPLJCHGCIWHT-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(F)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBRRUCHFMMREHL-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXFSODJRDWSLKC-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(Br)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPKKUUHHMPTPA-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWXREOLGKHQQP-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(O)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYEPQTDJQNZDPX-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc2oc(C(=O)NCc3ccc(C(=O)NNCCC)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSBZZIFUWVYQV-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBDWFGOZRAMHD-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSOHXUGUMCRLB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGYHQFHPEPHYRW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCNc1nn2c(=O)c3cc(Cl)ccc3nc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZAQOFYRVAMHTB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGWSGNZRIOHAJA-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c4ccccc4c(NCCCCCCC(=O)Nc4ccccc4N)nn3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFERCLJCXMSMKJ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCNc1nn2c(=O)c3ccccc3nc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBJTSYCWOPBOC-UHFFFAOYSA-N", "SMILES:O=C(CCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOVKWGOMUSPMLY-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHSACBEQNAECY-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGDAKTKAJAYYRG-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQTYKUWPAENQB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1nn2c(=O)c3cc(Cl)ccc3nc2c2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOPRTJIQQRZXCZ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPUWDBAPXOMBLU-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c4ccccc4c(NCCCCCCC(=O)NO)nn3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRODMJXAOPBPTI-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1nn2c(=O)c3ccccc3nc2c2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHCUTIKFUCAXGG-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCNc1nn2c(=O)c3cc(Cl)ccc3nc2c2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHZIKTKGIMISPY-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPYOCUPCYUHTG-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c4ccccc4c(NCCCCCCCC(=O)NO)nn3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVZPEXMXOYSXID-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCNc1nn2c(=O)c3ccccc3nc2c2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJDTRLNFBGACW-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXDHHICKEURBRU-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1NC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVSIZOIBIKQKL-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1NC(=S)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMWDUUFGBWCRE-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2cnccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAWUISDFUSKAV-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIYELJWVTWQMJ-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTVMUIVBRMGRN-SGWCAAJKSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)CCC/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXJEKSAMYBSSB-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)C(O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVPMFQBRUNLCJ-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)CCCC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHPNMQFVCWSCE-UHFFFAOYSA-N", "SMILES:COC1CCCc2sc(Nc3cccc(CN4CCN(C(=O)C5CCCC5)CC4)c3C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBKIBYMGQUHMO-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUALIIOYQYTDHG-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGYFGLCGFYZJH-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1NC(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXVWJRQYAAFHH-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRRPEUFUCCWDOP-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLCAIHWZKUQRP-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2cccnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBPMIDNSOPZPC-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2ccncc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADIGRMDOGARYJD-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2ncccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUKPVVODCPELK-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2nccnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNSWSHWBNPNHR-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMIUNFJBYQQBMM-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGIXBPWDKHKEFB-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQJJZIJNRYPBF-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQPNBDUXXTBPF-QUPMIFSKSA-N", "SMILES:CO/N=C1\\CCCc2sc(Nc3cccc(CN4CCN(C(=O)C5CCCC5)CC4)c3C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSBNNULIBZEPLY-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(C(=O)C3CCCC3)CC2)cc(Nc2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBQZCQXPXYPCG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C3CCCC3)CC2)cc1Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHWSXWCAHPVKSO-UHFFFAOYSA-N", "SMILES:O=C(C1CCCC1)N1CCN(Cc2cccc(Nc3nc4ccccc4s3)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWOOSELAEQLUAG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc3ccccc3s2)c(C)c1CN1CCN(C(=O)C2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFEQGDKFYFYIIY-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2nc3ccccc3s2)ccc(Cl)c1CN1CCN(C(=O)C2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJMURUKDMJETB-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cc(F)cc1Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATDUOZTWAARLJK-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cc(Cl)cc1Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJULTWNHWSAFM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEMKKJCNFFIONU-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2nc3ccccc3s2)cc(Cl)cc1OC1CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFSPUISXUYUCI-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2nc3c(s2)CCCC3)cc(Cl)cc1OC1CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGODHXWGKYDWLS-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2nc3c(s2)CCCC3=O)cc(Cl)cc1OC1CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZMZLHHVUIZBS-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2nc3c(s2)CCCC3O)cc(Cl)cc1OC1CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZMZLHHVUIZBS-MRXNPFEDSA-N", "SMILES:Cc1c(Nc2nc3c(s2)CCC[C@H]3O)cc(Cl)cc1OC1CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZMZLHHVUIZBS-INIZCTEOSA-N", "SMILES:Cc1c(Nc2nc3c(s2)CCC[C@@H]3O)cc(Cl)cc1OC1CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPCEIKHVSNXJC-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXYWTOKETJFPMA-UHFFFAOYSA-N", "SMILES:CCC(C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBJXSTZUNMSEQM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)NCC(=O)NCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5027578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPUDJXHGYZUZLT-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INVFFBYTRZEAOL-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRIAGBFXPHNKT-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(C)C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1461627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKMZFOYZVJQRT-HNNXBMFYSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTKGRUESNUAFG-UHFFFAOYSA-N", "SMILES:COC(=O)CCC(NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSAGRVGUYZPCMN-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWDXKDINWAFTB-UHFFFAOYSA-N", "SMILES:CCC(C)NC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBRUTADIYBICH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)NCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGWKSJDQKSXDR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPTLSWIUMTWZOS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAHACCBCOVQCEG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWJCXXBWSHIESM-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)CNC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAGSSCPAACYFJ-UHFFFAOYSA-N", "SMILES:COC(=O)CCCNC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUPRNJZZVNJLBK-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRJXYROFLQMPJY-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZUAKLFMZMOCV-UHFFFAOYSA-N", "SMILES:CCCCCCN(CCCCCC)C(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTOIRAEXSZORZ-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)Nc1cccc(S(N)(=O)=O)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCQVXQDPAAIHE-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(C)C)C(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODXMSWVMIFFZON-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRTVRBOFWARDD-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHTZYDVADRQME-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQPXDWAVHWVQGB-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTELDULEAOXXCR-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(C)C)NC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWXOTPXPEGBLFK-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1ccccc1)NC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRRLDXYCMAQCOM-UHFFFAOYSA-N", "SMILES:COC(=O)CC(NC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBUYQOTYBFHPIY-UHFFFAOYSA-N", "SMILES:COC(=O)C(CCSC)NC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNLEHYVCWETRD-UHFFFAOYSA-N", "SMILES:FC1CN(C2COC2)CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTURZXNKLURLJ-UHFFFAOYSA-N", "SMILES:FC(F)Cn1ncc(Nc2ncc3cc(Cl)c(C4CCN(C5COC5)CC4F)cc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTGQYBPJAAZHQV-UHFFFAOYSA-N", "SMILES:FC1CN(C2COC2)CCC1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHWGHMXATMWDPG-UHFFFAOYSA-N", "SMILES:Clc1cc2cnc(Nc3cnn(C4CC4)c3Cl)nc2cc1N1CCN(C2COC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYRFCAOJVUFSNI-UHFFFAOYSA-N", "SMILES:CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(C4CCN(C5COC5)CC4)cc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPFIBBBZVPOMK-UHFFFAOYSA-N", "SMILES:Clc1cc2cnc(Nc3cnn(C4CC4)c3Cl)nc2cc1C1CCN(C2COC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAONRTHJRPJWJO-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2ncc3cc(Cl)c(C4CCN(C5COC5)CC4)cc3n2)cnn1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILKCNWGFUCWULJ-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2ncc3ccc(C4CCN(C5COC5)CC4)cc3n2)cnn1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLRWZUEHFOBBR-UHFFFAOYSA-N", "SMILES:N#CC1(c2ccc3cnc(Nc4cnn(C5CCOCC5)c4Cl)nc3c2)CC12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDOPDTHBQSPMNW-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2ncc3ccc(C4(C#N)CC45CC5)cc3n2)cnn1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBGOHRGLARPVAO-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2ncc3ccc(C4(C#N)CC4)cc3n2)cnn1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUXHVVDZXBBRZ-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2ncc3ccc(-c4ccn[nH]4)cc3n2)cnn1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNQIERDNSZWJS-ZDUSSCGKSA-N", "SMILES:Cc1c(Nc2ncc3ccc(N4C(=O)OC[C@@H]4C)cc3n2)cnn1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSXQNNVERFAFF-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2ncc3cccc(C4CC4)c3n2)cnn1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQNOXULVJITYSD-UHFFFAOYSA-N", "SMILES:FC1CN(C2CCOC2)CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFJRUPKPPEOCI-UHFFFAOYSA-N", "SMILES:FC1CN(C2COCC2F)CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCYBYWFFRFKLHB-FYTJDIJESA-N", "SMILES:O[C@H]1COC[C@H]1N1CC[C@@H](c2cc3nc(Nc4cnn([C@@H]5CC5(F)F)c4Cl)ncc3cc2Cl)[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPGRQPPUFZDBW-UHFFFAOYSA-N", "SMILES:c1cc(C2CC2)c2nc(Nc3cnn(C4CCOCC4)c3)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKVFRKEOSUZOG-BHIFYINESA-N", "SMILES:Cc1c(Nc2ncc3cc(Cl)c(C4CCN([C@@H]5COC[C@@H]5O)CC4)cc3n2)cnn1[C@@H]1CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPCLGLVFKHJNHZ-OWRWGESLSA-N", "SMILES:F[C@@H]1CNCC[C@H]1c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl"]}
{"name": "Natriuretic peptides A", "xref": ["CHEMBL.TARGET:CHEMBL1293193"], "id": "UniProtKB:P01160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBPIVAQARQOML-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVLDVYPRKMGNN-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c3c2CCCC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEBRMXUKNTQCS-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3cc(OCC4CCOCC4)c(CO)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZVLFFVGKLNNL-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3cc(OCC4CCOCC4)c(C(=O)OC)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAMCSNFIUTDCW-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3cc(OCC4CCOCC4)c(C(=O)OCC4CCOCC4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEAJBHADGPXYTO-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)N(C2CCOCC2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNCXWEYKCYLULS-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3oc(C4CCOCC4)cc(=O)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJVTXLNMCMEBOU-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c3c2CCC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXZFPJPVCKQQH-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(F)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBPIVAQARQOML-SANMLTNESA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)C[C@@H](C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBPIVAQARQOML-AREMUKBSSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)C[C@H](C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGQXCINGJGXJC-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(CC2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVSJEBWIOKIDC-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCNCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCIMAPRFESVGNC-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCN(S(C)(=O)=O)CC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPFQWWHWNRIIA-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(c2c(C)noc2C)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMDEBOALXAQBY-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCN(C(=O)C4CCCC4)CC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQZPDAKMHIKJRD-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCN(S(=O)(=O)C4CCCC4)CC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZGFWVZFHANHGT-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C(C)C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVQCTRJKKYLEEQ-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2(C)CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJCSMKAFTVMDC-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGJZQHHEGLUTR-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRFTOZZQLJNGD-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUQJUXQLGORBFO-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCVFHNSXCIFNME-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPQPDCNPOOARB-UHFFFAOYSA-N", "SMILES:CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFZJXQXGNDOJHH-UHFFFAOYSA-N", "SMILES:CC(C)CN(C1CCc2ccc(F)cc21)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWYYVYZEPLHMGI-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1cc2ccccc2s1)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAEUPBZZZIXUHO-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCOCC2)ccc1N(CC(C)C)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTARCKLNXSKHS-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCNXVTQJZNWCSZ-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGMLYYLVYVLCBP-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLQNVHOZCJBTN-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(C2CCC2)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKUDLQYSJOTGQN-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKJTYNPJBEQJS-UHFFFAOYSA-N", "SMILES:CCc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDZXOPSBJJNFX-UHFFFAOYSA-N", "SMILES:O=C1CC(C2CCOCC2)Oc2ccc(S(=O)(=O)N3CCCC3c3ccccc3C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMXQWLFMWBLTD-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC2CCC2)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKIPCQQIQCDOB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYUBIUXHZBTYJM-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(C2CCC2)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDNEXXHTHGWJK-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLRASLIFQPCBTP-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC2CC2)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUAVWHNWIDGSM-UHFFFAOYSA-N", "SMILES:CCN1/C(=C/C2=C([O-])/C(=C/C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)C2=O)C(C)(C)c2c1ccc1ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBPQGXHDMRNGW-UHFFFAOYSA-N", "SMILES:CCN1/C(=C/C2=C(NCc3ccccn3)/C(=C/C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)C2=O)C(C)(C)c2c1ccc1ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFXMKNCGLRPUFK-UHFFFAOYSA-N", "SMILES:CCCCCCN1/C(=C/C2=C(NCc3ccccn3)/C(=C/C3=[N+](CCCCCC)c4ccc5ccccc5c4C3(C)C)C2=O)C(C)(C)c2c1ccc1ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPZINTNOEIIFAB-UHFFFAOYSA-M", "SMILES:CCN1/C(=C/C2=C(N(Cc3ccccn3)Cc3ccccn3)/C(=C/C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)C2=O)C(C)(C)c2c1ccc1ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODJPUDNLHZSZDB-UHFFFAOYSA-M", "SMILES:CCCCCCN1/C(=C/C2=C(N(Cc3ccccn3)Cc3ccccn3)/C(=C/C3=[N+](CCCCCC)c4ccc5ccccc5c4C3(C)C)C2=O)C(C)(C)c2c1ccc1ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMULUKHFNMJPF-FQEVSTJZSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXJRHJDXBVLRO-INIZCTEOSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXFHVGCTLQYSO-FQEVSTJZSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCC(O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSGJAUSSGPIZEE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STAXZUKVPCPDHS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDVXVQQURZDNPY-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)N3CCN(c4ccc(O)cc4)CC3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCCHLRHBQIANEW-UHFFFAOYSA-N", "SMILES:COc1cc(N)c(Cl)cc1C(=O)Nc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNZYMZYMPUIDOF-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)CCCc3ccc(-c4ccccc4)cc3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKBIHCZDFXHLC-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUODRPPTYLBGFM-CMDGGOBGSA-N", "SMILES:CC1(C)CC=C(c2ccccc2)c2cc(/C=C/c3ccc(C(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFDYHWRGAFIFQ-UKJATVOJSA-N", "SMILES:CCCCCCOC(=O)/C=C\\C=C/[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3/C(C=O)=C\\C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELSAWWCGQGPHD-REPOTADFSA-N", "SMILES:CCCCCCCOC(=O)/C=C\\C=C/[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3/C(C=O)=C\\C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPHQQNDMOGPHTB-UFYANWQUSA-N", "SMILES:CC1=CC(=O)[C@H]2/C(C=O)=C\\C[C@H]3[C@@H]([C@@H](C)/C=C\\C=C/C(=O)OC45CC6CC(CC(C6)C4)C5)CC[C@]3(C)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHJCSDGCGYAIKX-MHJCPZBXSA-N", "SMILES:CC1=CC(=O)[C@H]2/C(C=O)=C\\C[C@H]3[C@@H]([C@@H](C)/C=C/C(=O)OC45CC6CC(CC(C6)C4)C5)CC[C@]3(C)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPSLYKXVMBPPY-YJLNUXLPSA-N", "SMILES:CC1=CC(=O)[C@H]2/C(C=O)=C\\C[C@H]3[C@@H]([C@@H](C)/C=C\\C=C/C(=O)OCCOCCOC(=O)CC45CC6CC(CC(C6)C4)C5)CC[C@]3(C)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHIAKWRVZSAESN-IFTCCTFLSA-N", "SMILES:CC1=CC(=O)[C@H]2/C(C=O)=C\\C[C@H]3[C@@H]([C@@H](C)/C=C\\C=C/C(=O)OCCOCCOCCOC(=O)CC45CC6CC(CC(C6)C4)C5)CC[C@]3(C)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBLODTVOZXEVKD-HGRYNMEDSA-N", "SMILES:CC1=CC(=O)[C@H]2/C(C=O)=C\\C[C@H]3[C@@H]([C@@H](C)/C=C/C(=O)OCCOCCOCCOC(=O)CC45CC6CC(CC(C6)C4)C5)CC[C@]3(C)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPOWVRTODFYBX-WWNCYVGLSA-N", "SMILES:CC1=CC(=O)[C@H]2/C(C=O)=C\\C[C@H]3[C@@H]([C@@H](C)/C=C\\C=C/C(=O)OCCOCCOCCOCCOC(=O)CC45CC6CC(CC(C6)C4)C5)CC[C@]3(C)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXZOZLVWLIHPET-DKZCOYSZSA-N", "SMILES:CC1=CC(=O)[C@H]2/C(C=O)=C\\C[C@H]3[C@@H]([C@@H](C)/C=C/C(=O)OCCOCCOCCOCCOC(=O)CC45CC6CC(CC(C6)C4)C5)CC[C@]3(C)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNMPQSLAZUFIT-ZDZUEPJSSA-N", "SMILES:CC(C)=C/C=C\\[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3/C(C=O)=C\\C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5087797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBUVSFBCHVOPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)ncn2C2CCN(CCN(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEBRKLPVWPNPS-SANMLTNESA-N", "SMILES:Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)ncn2[C@H]2CCN(CCN(C)C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDQRUFOIILWCQL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KREVZJDVPQAAER-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBUQVVXVMAKZEI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(Br)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSOTOANBWUJKM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLVIMBTSWEKKO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKWOMHVPTCUCFO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKOBVLXZVSQKU-UHFFFAOYSA-N", "SMILES:Ic1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRDWXGBIQPUECA-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTDYADGDYXZHRN-UHFFFAOYSA-N", "SMILES:CCc1cccc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMKDPBCCJUCKA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSHCIVGCCUTNX-UHFFFAOYSA-N", "SMILES:CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZBMVXXCSVPZPB-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTTURQXQNKQGEA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFBPNELMQRYENV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(I)cc3)ncn2C2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMQBHIBMAZBSDY-UHFFFAOYSA-N", "SMILES:Oc1ccccc1Oc1nccc(-c2c(-c3ccc(I)cc3)ncn2C2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHMLCVIDPWSSM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1nccc(-c2c(-c3ccc(I)cc3)ncn2C2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKHBJHDAHHSNZ-UHFFFAOYSA-N", "SMILES:Ic1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc4c(c3)OCO4)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKFRKLPNMDIKP-FQEVSTJZSA-N", "SMILES:Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3[C@H]3CCNC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMVZWZADKRAGU-QFIPXVFZSA-N", "SMILES:Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3[C@H]3CCN(CCN)C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKFRKLPNMDIKP-HXUWFJFHSA-N", "SMILES:Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3[C@@H]3CCNC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMVZWZADKRAGU-JOCHJYFZSA-N", "SMILES:Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3[C@@H]3CCN(CCN)C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXDXDBRHDEGIE-UHFFFAOYSA-N", "SMILES:CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFLSFWYYKTMAK-UHFFFAOYSA-N", "SMILES:CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCN(CCN(C)C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULDFEUPLPPWJDA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)ncn2C2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDGTWXKBUNDFQ-NRFANRHFSA-N", "SMILES:CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3[C@H]3CCNC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSGLSOVCNXWOU-VWLOTQADSA-N", "SMILES:CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3[C@H]3CCN(CCN(C)C)C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSBSRGFJRSYQO-QFIPXVFZSA-N", "SMILES:Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)ncn2[C@H]2CCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSBSRGFJRSYQO-JOCHJYFZSA-N", "SMILES:Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)ncn2[C@@H]2CCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEBRKLPVWPNPS-AREMUKBSSA-N", "SMILES:Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)ncn2[C@@H]2CCN(CCN(C)C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL417255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLWMBRFRAMDOW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSAPELIHBBTDT-WOWOAPDMSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPVUMHJMSWHNG-PFQZNFRVSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(C(F)(F)F)c1)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTPNHGTTLWXPG-JNPKWWJQSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H]2OCCNC(=O)CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H]3CCCN3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQVFEOGYDIPWJH-WVBPCUAESA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H]2OCCNC(=O)CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUZJQWWMSFSQQO-PIWOXJGESA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H]2OCCNC(=O)CC[C@H](NC(=O)c3cccc(OCCN(C)C)c3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNAIEYIOWDLSDG-PIWOXJGESA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H]2OCCNC(=O)CC[C@H](NC(=O)c3cccc(OCC(C)C)c3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQLGBANVZOQDR-QPAFJHMNSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H]2OCCNC(=O)CC[C@H](NC(=O)c3cc(OCCN(C)C)cc(OCC(C)C)c3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHDKQFMGBYHBI-QPAFJHMNSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H]2OCCNC(=O)CC[C@H](NC(=O)c3cc(OCC(C)C)cc(OCC(C)C)c3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADASRLGYHVXZRO-DKLZTFJRSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H]2OCCNC(=O)CC[C@H](NC(=O)c3cc(OCCCC(=O)O)cc(OCCN(C)C)c3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSWRUCSWHFLYKP-YBHQZPAMSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H]2OCCNC(=O)CC[C@H](NC(=O)c3cc(OCCN(C)C)cc(-c4ccc(C(=O)O)cc4)c3)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWIHLCNBBCVPZ-GDRREVSNSA-N", "SMILES:COCCOCCOCCOCCOc1cc(OCCOCCOCCOCCOC)cc(C(=O)N[C@H]2CCC(=O)NCCO[C@@H]3CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)N3C(=O)[C@H]([C@@H](C)OP(=O)(O)O)NC(=O)[C@H](CO)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTPLXGVOTRFBKX-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ncc(C(=O)NCCCCCCC(=O)NO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYYOHHPUJWRFS-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMUSOQFDJSLDU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSQKXYNAYAFIG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)[nH]2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVGSGHLOZJHCBV-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWQBOHAJCMVISD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc(C(=O)NCCCCCC(=O)NO)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVSXVWVXMCZJI-MDZDMXLPSA-N", "SMILES:COc1cccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRIIAFNAXQSTDT-CSKARUKUSA-N", "SMILES:COc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYZFMDDTYKKSNC-CMDGGOBGSA-N", "SMILES:COc1cc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBKIGFJGCLTQB-VOTSOKGWSA-N", "SMILES:COc1ccc(-c2ncc(/C=C/C(=O)NO)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLURIJZBBHRHBR-QPJJXVBHSA-N", "SMILES:COc1ccc(-c2ncc(/C=C/C(=O)NO)s2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOYMTOKRMOPLE-SNAWJCMRSA-N", "SMILES:COc1cc(-c2ncc(/C=C/C(=O)NO)s2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOGSGLOVMYWDH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHURUPXDOHCYCM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1cnc(-c2ccc(OC(F)(F)F)cc2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOPYBYZSXWJUDR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc(C(=O)NCCCCC(=O)NO)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYOSSXPRPPALW-ZHACJKMWSA-N", "SMILES:Cc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYVOBVJIELUKNJ-ZHACJKMWSA-N", "SMILES:COc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFAXOUKCNXSBLM-DHZHZOJOSA-N", "SMILES:COc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSVNFRRFTRLZNG-BQYQJAHWSA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1cnc(-c2ccc3cc[nH]c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXOMUAUHJOSRTB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJGTOMAWYAOCO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBXDYKKXAEATN-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1cnc(-c2ccc3c(c2)OCCO3)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYNKXGFKJRICCE-ONEGZZNKSA-N", "SMILES:COc1cc(OC)cc(-c2ncc(/C=C/C(=O)NO)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVDHEBYODYANO-AATRIKPKSA-N", "SMILES:O=C(/C=C/c1cnc(-c2ccc(N3CCOCC3)cc2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEISEIBOINEHLD-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1c(Cl)cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUEFKAHLCBNPMM-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFWWXOKSUYPMC-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc(C(F)(F)F)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGMWKHGPZNNJR-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(C(C)C)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYKCTJDLYFUROT-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(Cl)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBOFTDCGWGIPEN-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc(Cl)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRXIISDUHNWSX-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(-c4ccccc4)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHRUUBOCOTEHA-UHFFFAOYSA-N", "SMILES:CCc1ccc(-n2cnn(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOIQPNPAAAKLFH-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1c(Cl)cc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTOCSUOSMHIHM-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNJIAXCBCLFQEQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2cnn(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGNSAATWNZSFAE-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C(F)(F)F)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGJXSULEWHHOT-UHFFFAOYSA-N", "SMILES:CCc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(CC)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBIJUSHPPNXUIM-UHFFFAOYSA-N", "SMILES:CCc1cc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc(CC)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFBCKUSPLSOEI-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(Br)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPRVOFIFGNSCI-UHFFFAOYSA-N", "SMILES:Cc1cc(Cc2cc(-c3ccc(Br)cc3)on2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVNULZXOFJDBNK-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3cccc(C(F)(F)F)c3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMVYBJXHHXSSH-UHFFFAOYSA-N", "SMILES:Cc1cc(CCn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOIHSUDJSRKMP-UHFFFAOYSA-N", "SMILES:Cc1cc(OCn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZDWOKPYEUFHIR-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)ccc1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZIFMZZMWFWABK-UHFFFAOYSA-N", "SMILES:Cc1cc(CCCn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMVOKDLKXGQJM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cnn(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOQFUUGMEGWYJM-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXMAYPGGKODTGP-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(Cl)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUWYVYMHAJFDG-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQPGYRHNQZVKEG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cnn(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFWLKZJNLNIABS-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1OC(F)(F)F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBIAPQMODPOASP-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQMPJGBCUTSBW-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1c(F)cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFRJTIMCBPCWPY-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1C(F)(F)F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWWODALQUYGABM-UHFFFAOYSA-N", "SMILES:Cc1cc(SCn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJLCDLVIADBFX-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)ccc1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCJBOZPDOSQHL-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1OC(F)(F)F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDURFPMCOBALGE-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1C(F)(F)F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKDIKFWNGAGSGJ-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQXKOINOVGJLTK-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1c(F)cc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQVZSHBWVQUNK-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIIHHUSVZHYUAP-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(F)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIZNZQIOQSYBC-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccccc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFKHUWKCVAFOHU-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVCDFQBGIFGUEG-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccc(S(C)(=O)=O)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AICXTPKDVHJHCO-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2ncn(-c3ccccc3C(F)(F)F)c2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXMYEEZJCBJUQK-XLIONFOSSA-N", "SMILES:COc1cc([C@H]2c3ccccc3C(=O)N3C=CN(C(C)=O)C[C@H]23)cc2c1OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5083312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDANOMWCBLGPHR-PLXFJCCSSA-N", "SMILES:COc1cc([C@H]2c3ccccc3C(=O)N3C[C@H](C(=O)c4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5078037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLVWEXQROXQSAD-WBWMCNGVSA-N", "SMILES:COc1cc([C@H]2c3ccccc3C(=O)N3C[C@H](Cc4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5094256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAJQATXXQQHVIW-DQEYMECFSA-N", "SMILES:COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)c2ccccc2)cc2c1OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5087079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHFJTGFKAYMMX-ZEQRLZLVSA-N", "SMILES:CC(=O)N1C[C@H](Cc2cc(O)c3c(c2)OCO3)N(C(=O)c2ccccc2)C[C@@H]1Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5089197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKOTIQEKORHBL-ORFWNXNQSA-N", "SMILES:COc1cc(C[C@H]2CN3C(=O)[C@@H]4[C@@H](c5ccccc5)c5c(cc6c(c5OC)OCO6)[C@@H]4[C@H]3CN2C(C)=O)cc2c1OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5079104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAOTFLIFONCQN-QGZVPWQWSA-N", "SMILES:COc1cc(C[C@H]2CN3C(=O)[C@]4(O)[C@@H](c5ccccc5)c5c(cc6c(c5OC)OCO6)[C@@H]4[C@H]3CN2C(C)=O)cc2c1OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4636390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTOITEGQWZFNRK-NCPBTPGXSA-N", "SMILES:COc1c2c(cc3c1[C@H](c1ccccc1)[C@H]1C(=O)N4C[C@H](Cc5ccccc5)N(C(C)=O)C[C@@H]4[C@@H]31)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4641108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPVOHQVKBZIFOZ-MPPANQFJSA-N", "SMILES:COc1c2c(cc3c1[C@H](c1ccccc1)[C@@]1(O)C(=O)N4C[C@H](Cc5ccccc5)N(C(C)=O)C[C@@H]4[C@@H]31)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5085998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCAMUIOJOQXVJF-CRAIPNDOSA-N", "SMILES:COc1cc([C@H]2c3ncccc3C(=O)N3C=CN(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQHWCEGBVLAGAR-APWZRJJASA-N", "SMILES:COc1cc([C@H]2c3ccncc3C(=O)N3C=CN(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRVQLIKOYPSDZ-PQNGQFLHSA-N", "SMILES:COc1cc([C@H]2c3ncccc3C(=O)N3C[C@H](C(=O)c4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMHBJDTZOCMJO-NIRIFSCTSA-N", "SMILES:COc1cc([C@H]2c3ncccc3C(=O)N3C[C@H](Cc4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBZFFXJETSYRQF-CLLDFNAGSA-N", "SMILES:COc1cc([C@H]2c3ccncc3C(=O)N3C[C@H](Cc4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRVISUPKSBBMR-ZEQRLZLVSA-N", "SMILES:COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)c2cccnc2)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVXWKDZLJERHC-PLXFJCCSSA-N", "SMILES:COc1cc([C@H]2c3ccccc3C(=O)N3C[C@H](C(=O)c4ccccc4)N(C(C)=O)C[C@H]23)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVXWKDZLJERHC-UMFSSWHCSA-N", "SMILES:COc1cc([C@H]2c3ccccc3C(=O)N3C[C@@H](C(=O)c4ccccc4)N(C(C)=O)C[C@H]23)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYUBUHISUWBOME-DQEYMECFSA-N", "SMILES:COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)c2ccccc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIFJQKCGFISZSC-FTRWYGJKSA-N", "SMILES:COC1=C[C@]2(C[C@H]3CN(C(C)=O)[C@@H](Cc4ccccc4)CN3C2=O)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZFQCYWITYPTOJ-OALUTQOASA-N", "SMILES:COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5084637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZQGDXTWEQIORD-QAPCUYQASA-N", "SMILES:COc1cc([C@H]2c3cccnc3C(=O)N3C=CN(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCQDCLBSRYRRO-LGVFNWMJSA-N", "SMILES:COc1cc([C@H]2c3cccnc3C(=O)N3C[C@H](C(=O)c4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCQDCLBSRYRRO-DPLHUUCSSA-N", "SMILES:COc1cc([C@H]2c3cccnc3C(=O)N3C[C@@H](C(=O)c4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHNLJTVDSEPFT-HOKHCIIBSA-N", "SMILES:COc1cc([C@H]2c3cccnc3C(=O)N3C[C@H](Cc4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INVAHXWVBPONKY-GOTSBHOMSA-N", "SMILES:COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)c2ccccn2)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNHBXIUXNVZFEN-APWZRJJASA-N", "SMILES:COc1cc([C@H]2c3cnccc3C(=O)N3C=CN(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQIXWAAUHTHBA-RQTOMXEWSA-N", "SMILES:COc1cc([C@H]2c3cnccc3C(=O)N3C[C@H](C(=O)c4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQIXWAAUHTHBA-SLSDLSHTSA-N", "SMILES:COc1cc([C@H]2c3cnccc3C(=O)N3C[C@@H](C(=O)c4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAAXQCAHTZSFCV-CLLDFNAGSA-N", "SMILES:COc1cc([C@H]2c3cnccc3C(=O)N3C[C@H](Cc4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKSZLGENIZSRU-ZEQRLZLVSA-N", "SMILES:COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)c2ccncc2)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIOXZDBQQSQDW-GXPRVEJISA-N", "SMILES:COc1cc(C[C@H]2CN3C(=O)/C(=C/c4ccc(O)cc4)[C@H](c4cc(OC)c5c(c4)OCO5)[C@H]3CN2C(C)=O)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYJRJPRFXWCDJW-MKKQBZRBSA-N", "SMILES:COc1cc([C@H]2/C(=C\\c3ccc(O)cc3)C(=O)N3C[C@H](Cc4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRSITHOPMKCCO-MKRYHERSSA-N", "SMILES:COc1cc(C[C@H]2CN(C(=O)/C=C/c3ccccc3)[C@@H](Cc3cc(OC)c4c(c3)OCO4)CN2C(C)=O)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMSMSANEQJFBF-VCMDODSVSA-N", "SMILES:CC(=O)N1C[C@H](Cc2ccccc2)N(C(=O)/C=C/c2ccccc2)C[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGIIYQJPAYJJDV-PALQICBKSA-N", "SMILES:COc1cc(/C=C2/C(=O)N3C[C@H](Cc4cc(OC)c5c(c4)OCO5)N(C(C)=O)C[C@@H]3[C@H]2c2cc(OC)c3c(c2)OCO3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNKDZGWTGSJSS-QJRJHIKYSA-N", "SMILES:COc1cc(/C=C2/C(=O)N3C[C@H](Cc4ccccc4)N(C(C)=O)C[C@@H]3[C@H]2c2cc(OC)c3c(c2)OCO3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUFACOOFEYQKDY-CJZHKSBQSA-N", "SMILES:COc1cc(/C=C/C(=O)N2C[C@H](Cc3cc(OC)c4c(c3)OCO4)N(C(C)=O)C[C@@H]2Cc2cc(OC)c3c(c2)OCO3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLUNTQUGKWTGZ-ZEQRLZLVSA-N", "SMILES:COc1cc(C[C@H]2CN(C(=O)c3ccccc3)[C@@H](Cc3cc(OC)c4c(c3)OCO4)CN2C(C)=O)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBYDUQRBHJYHU-UIOOFZCWSA-N", "SMILES:CC(=O)N1C[C@H](Cc2ccccc2)N(C(=O)c2ccccc2)C[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLALFABWNVGIS-HKRYAFHYSA-N", "SMILES:COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc2c1OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5089749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMBADSOVDPRXNV-LGVFNWMJSA-N", "SMILES:COc1cc([C@H]2c3ccccc3C(=O)N3C[C@H](C(=O)c4ccccc4)NC[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOPEPYTRAZEFR-PLXFJCCSSA-N", "SMILES:C=C(c1ccccc1)[C@H]1CN2C(=O)c3ccccc3[C@H](c3cc(OC)c4c(c3)OCO4)[C@H]2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQECFXZCKUFACM-FERBAXHVSA-N", "SMILES:COc1cc(C[C@H]2CN3C[C@@H]4[C@@H](c5ccccc5)c5c(cc6c(c5OC)OCO6)[C@@H]4[C@H]3CN2)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZYEKPSSYGCJU-MVZYNSITSA-N", "SMILES:COc1c2c(cc3c1[C@H](c1ccccc1)[C@H]1C(=O)N4C[C@H](Cc5ccccc5)NC[C@@H]4[C@@H]31)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMKQSRDIGBNCO-KNKQGSTJSA-N", "SMILES:COc1cc([C@H]2c3cccnc3C(=O)N3C[C@H](C(=O)c4ccccc4)NC[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMKQSRDIGBNCO-JQVVWYNYSA-N", "SMILES:COc1cc([C@H]2c3cccnc3C(=O)N3C[C@@H](C(=O)c4ccccc4)NC[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZYVERQODPIGD-LGVFNWMJSA-N", "SMILES:C=C(c1ccccc1)[C@H]1CN2C(=O)c3ncccc3[C@H](c3cc(OC)c4c(c3)OCO4)[C@H]2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBAYUINKCYTAM-VIZSFHNOSA-N", "SMILES:COc1cc([C@H]2c3cnccc3C(=O)N3C[C@H](C(=O)c4ccccc4)NC[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBAYUINKCYTAM-MZKRTTBSSA-N", "SMILES:COc1cc([C@H]2c3cnccc3C(=O)N3C[C@@H](C(=O)c4ccccc4)NC[C@H]23)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOWWAPPUHRKMJW-RQTOMXEWSA-N", "SMILES:C=C(c1ccccc1)[C@H]1CN2C(=O)c3ccncc3[C@H](c3cc(OC)c4c(c3)OCO4)[C@H]2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVQANRRSRFWTM-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccc(F)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBKFCZVJUQWPSK-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccc3c(c2)OCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNXFOVLLWEQOT-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQXIYDOPGLBKE-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSVZFWPNIDCBRR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQALNUCOQAIYDW-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(C#N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEDVKWPVQFWSK-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZQFSZMJTLCNNM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZINKADFUHQKSE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(N)nc(-c3ccccc3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPHWQIOSDEUON-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(C#N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBCTUMVJAWYEL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)nc(-c3ccccc3)c2C#N)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMMWHMFNHOBRC-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULYEIUZRXJOPV-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTLZBEXWKAFPMU-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHGCXADSYJYPC-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXZSEAMWCKILY-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBWJRNGMFSKHY-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccc(Cl)c2)nc(N)nc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPAHLMUPCSONJW-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZFMIKWKBQWFQA-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPQZTOBDMJAGFR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc(-c3ccccc3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBVXKKQIMJFGO-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccc(Cl)c2)nc(N)nc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWPVXXQGVNSOEC-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVRVLXRGSBCGS-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGNUGGJZMCHSD-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHDOXIDJMBFKO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKAWIEBCFSXXDA-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYYGXOMSXSAHD-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2ccccc2)c(C#N)c(-c2ccc3c(c2)OCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHHWYLVZKNMAQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)nc(-c3ccccc3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBXKIWJJWYXHO-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccc(Cl)c2)nc(N)nc1-c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXDJJICYXLCEH-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQFAKGQUMBHKS-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(F)cc2)nc(N)nc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCXBPHMYDCKEE-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORISOMNNFKRPV-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSWFMEAKMSUXBO-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFXPYGZBAWEIIF-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2cc(OC)cc(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNBRYEVLXCVDPZ-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPAJIVUBONCJIM-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVINJBXJYZZHN-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2ccccc2)c(C#N)c(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWCRWBCXMPOZKC-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(F)cc2)nc(N)nc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTSIFNHVYVBAC-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc(N)nc(-c2ccccc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRBHUGDRIPBTOO-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXTPAAODKNTIDX-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUQDHZQAFYVDMW-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAZRMYRDSOCPQZ-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLSYUWHFSYECO-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQGVKZMLCDMLO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZLBHLPVUJXAP-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTYPMBXTINWTBV-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVVMMATRINMHC-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZUDOEQNHSMNGI-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGDUYBLLFILHKU-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLCHBDXTFUCMBZ-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2cc(Cl)cc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIKHZQKRXROPN-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTRIYCSRMODYBT-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCUZLTIGCNKTAM-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMGRDIKEQFHCSA-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOPRFPXSXWIZHW-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZAJCKFJMOXCIC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUWBZZFXXGUADQ-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWOSHJXSMKNKU-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccsc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPOJVESOFVBVOZ-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccc(O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBMCJJTNUKCAN-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAGZLGHTEOKJBX-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSAWRPFVVGSCEC-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccccc2)c(C#N)c(-c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZJXHQDAEJEXQM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)nc(-c3ccc(OC)cc3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWBSQPZZQAERS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKSQMNCIJCXTN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLNLDJDXZFBRSF-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2ccccc2)c(C#N)c(-c2cc(Cl)cc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQFWRYVAFXRGNA-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTVUSCYBUSKJKC-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL369573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVUYDEPVVFJIAY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHWGZQVQROQEV-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSUVQKHSMDCHY-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(NC(=O)C2CCCC2)nc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUCBEYDRUCBCS-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL406788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXFRDQUOPPVHF-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZGWFMOPBCXLE-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQDPBVRIRZFYKQ-YHBQERECSA-N", "SMILES:O[C@H]1CC[C@H](Nc2ncc(-c3ccc4ccccc4c3)c(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNSOUDLGDVTFA-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)C2CCCC2)nc(-c2ccccc2)nc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFUAXNHEQYTAU-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTZGCTNEXDQSIT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQSKEQHAKMIFLM-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZUQAQCHCOUJTE-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXCOYHTBSPMTD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSORKHQIDYNCA-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTSMDVBQXYDAIT-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDLRKXHHGSHWMS-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSYOOWFQGGOHN-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2ccncc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCYJGGMCAOHOSO-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2cccnc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSZNWUIQMHGJEP-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2cncnc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHIGEFXYTBIKTL-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2ccco2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXOHQKRFCGFOOR-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2ccoc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPINWYTCVYONH-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2cccs2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUVXKIOULSZFH-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2ccsc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBIFYGNSTBXOFT-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2ccnc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMVACNQRVVCDSE-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2cc(F)nc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZKVOCAQUAZLI-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2cncc(C(F)(F)F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AASFDHYMBBBNPB-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2cncc(C#N)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQFSSIRFVMBOK-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2ccc(C#N)nc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUEBVJORTBLOKW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccco2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANBPWHFMDWQQML-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccs2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IONOEVVPOBTCRX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cncnc2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYRTWYMJYKBOL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccncc2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPXHSQJTDOBBLZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3ccccc3s2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUIABWYLSXTRQX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc3ccccc23)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCDOKFQRUXGNKD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc3cc[nH]c23)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXKYSUVOVKZKZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3cc[nH]c3c2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXHGWUAPJBCDV-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2cc(C)c(Nc3ccnc(Nc4ccc(C#N)cc4)n3)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCJGIRHVUGADTP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C)c(Nc3ccnc(Nc4ccc(C#N)cc4)n3)c(C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZUFFDJBFWTDPI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(C)c(Nc3ccnc(Nc4ccc(C#N)cc4)n3)c(C)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNKLDFUCPJYJZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(F)c2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYNSNZMNPFBJGM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(C(F)(F)F)c2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCGCPWMOODPXFB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(C)c(Nc3ccnc(Nc4ccc(C#N)cc4)n3)c(C)c2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGOCFCUOBEGAT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(F)nc(F)c2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBSVIKPCNNFEK-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cc(C)c(Nc3ccnc(Nc4ccc(C#N)cc4)n3)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALQLKOBMUNFHLU-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(C)c(Nc3ccnc(Nc4ccc(C#N)cc4)n3)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFBIIFIIBYRMF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(C#N)nc2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHABCLGHKRXFCG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(C(F)(F)F)nc2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUGSQDYYQRXMFV-UHFFFAOYSA-N", "SMILES:Br.Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(F)cc(-c2ccncc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYVPCEGVEMBBCZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccncc2)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHUCLCVSZGGWPM-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)NS(=O)(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STFTVBSCNQNRBW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3ccccc3[nH]2)cc1NS(=O)(=O)NC(=O)OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARUYGOIPZUSFBZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1NS(=O)(=O)NC(=O)OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZAWJQLBAMYCEE-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)NS(=O)(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQOZJWCNMPUST-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)NS(=O)(=O)Nc1cc(-c2cc3ccccc3[nH]2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQOASVVKXMVKRA-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)NS(=O)(=O)Nc1cc(-c2cc3cc(F)ccc3[nH]2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKGGPLHYSWLQPL-UHFFFAOYSA-N", "SMILES:CCCCCCCCOC(=O)NS(=O)(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMEJTIUQCWVECC-UHFFFAOYSA-N", "SMILES:CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(-c2cc3ccccc3[nH]2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOOMLGSWBSXKPK-UHFFFAOYSA-N", "SMILES:CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(-c2cc3cc(F)ccc3[nH]2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOOWYFBNDLFQKS-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMPOHKQMSSUREW-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTYWLIRSWBRCO-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMXRSNADPRSBK-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJBLJLIDRXSYLK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGQGLNSXKGFPEV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVMEKUFDYCDEQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1463660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARUAGQGCXPFUOS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZVNUGFSVSEWAP-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVVLBNHUDGFSRX-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKLCJWQNAFIEJP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKOCVYWQQREWMR-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAYHRPRKMCMBM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBNWHSUKZZAPS-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOJPMPISJRECC-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZFHDUZMBMCMO-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPZPCYIDAHBGW-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTRMLOMEBMZLF-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPOXVOQAFEFFO-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUARWNJOPGHOC-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)no3)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUXQFSYRCBSGNN-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMIUZAOKNILRU-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C3CCCCC3)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDWPKPYJLQHIGW-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEHDMQTILPVSW-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2cccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)c2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMDMJQWIZRYPX-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKIKJCWHZSXVED-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)c(F)c2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWFEEBNDGCREE-UHFFFAOYSA-N", "SMILES:CSc1cc(Nc2ncnc3c2OC(C)(C)C(=O)N3)ccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMCJUWMZVILNQ-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)c(C(F)(F)F)c2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLEVLHIWYWHFRF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncnc3c2OC(C)(C)C(=O)N3)ccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGZBDTYJIFVMCX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWVEZNCIIVZQH-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncnc3c2OC(C)(C)C(=O)N3)ccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREJWPGPNAQDPQ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQEIAIXWJHRRRI-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGAHMIBPFSFDY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(F)c2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUJQPFBKDKKXHX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2F)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVNWGIDWOQYDJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Nc3ncnc4c3OC(C)(C)C(=O)N4)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLPATUQBJYDVLH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C(F)(F)F)cc2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBCNTOGVNRFPN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(OC(F)(F)F)cc2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZLKOXKYRREEO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(Cl)cc2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWRDCEAGIMHGDA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc3ccccc3c2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKCNXUVDQCOAH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2cccnc2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXIGRQYWRMUBFO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)c(F)c2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFNIFDHHWXBYCS-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2c(F)c(F)c(F)c(F)c2F)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJAVDBDBSBBDKS-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYEIOSXTPZLYKG-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)ccc1Nc1ncnc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLJSDBUTQVJRV-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Nc2ncnc3c2OC(C)(C)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDIYECOMROZNBB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(N2CC(N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXJKRDYCPURGO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(N3CC(N4CCN(C(=O)c5ccco5)CC4)CC3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVHQVTQOAKUCIF-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(-c4ccccc4F)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVLTSHAUJYILM-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(-c4ccc(F)cc4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZOWHGZTJFOGNU-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(-c4ccc(F)nc4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMHUMQFYSYGSJQ-DIAVIDTQSA-N", "SMILES:O=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(N4CC[C@@H](F)C4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLHPYIWZTOMELJ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cccc(N3CC(N4CCN(C(=O)c5ccco5)CC4)CC3=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXPCWFLZGFRIA-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(C2CC(=O)N(c3cccc(-c4cccc(F)c4)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIJYWMMHPZZQW-DIAVIDTQSA-N", "SMILES:O=C(c1ccco1)N1CCN(C2CC(=O)N(c3cccc(N4CC[C@@H](F)C4)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGINUMDTUDZIM-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cccc(N2CC(N3CCN(c4ncccn4)CC3)CC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPIHFXDKLYEYQP-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cccc(N3CC(N4CCN(c5ncccn5)CC4)CC3=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBUXTXZKBVXWJE-UHFFFAOYSA-N", "SMILES:O=C1CC(N2CCN(c3ncccn3)CC2)CN1c1cccc(-c2ccc(F)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAADUUTZIXTYBE-UHFFFAOYSA-N", "SMILES:O=C1CC(N2CCN(c3ncccn3)CC2)CN1c1cccc(-c2cccnc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFLAACDFPXTRN-DIAVIDTQSA-N", "SMILES:O=C1CC(N2CCN(c3ncccn3)CC2)CN1c1cccc(N2CC[C@@H](F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFLAACDFPXTRN-DIMJTDRSSA-N", "SMILES:O=C1CC(N2CCN(c3ncccn3)CC2)CN1c1cccc(N2CC[C@H](F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHKPHZKJNZUSD-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(N2CC(N3CCN(c4ncccn4)CC3)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNVBQHWCUNWJO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(N3CC(N4CCN(c5ncccn5)CC4)CC3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUMDCGQJPQNNK-DIMJTDRSSA-N", "SMILES:O=C1CC(N2CCN(c3ncccn3)CC2)CN1c1ccc(N2CC[C@H](F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVLTSHAUJYILM-JOCHJYFZSA-N", "SMILES:O=C(c1ccco1)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4ccc(F)cc4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVLTSHAUJYILM-QFIPXVFZSA-N", "SMILES:O=C(c1ccco1)N1CCN([C@H]2CC(=O)N(c3ccc(-c4ccc(F)cc4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDIMVPELJZNRU-LJQANCHMSA-N", "SMILES:Cc1ccnc(F)c1-c1cccc(N2C[C@H](N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHJIKSQWCGDIP-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZMSLRKXOWQCL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(N)=O)nc3c2CCC(C)(C)O3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKZCMKOSAKVGY-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C2=Nc3ccc(Br)cc3NC(=O)C2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2068968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHPFWEDUGHFFTA-PNERCMSUSA-N", "SMILES:C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5069689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHMCFYZMSUSBK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3)nc3cnc(Nc4ccc(OC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVAOFMPVFXYQFT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cnc(Nc4ccc(OC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMGCDPLNGZVVCJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(Oc3ccccc3)nc3cnc(Nc4ccc(OC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLBXNZWWWRBRTL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHLXGYSDDYOMY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJONDZVYIBNTDX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3F)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXUOMYZUSKPSJL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3Cl)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUYZOBYELEVSC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCCC3)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHYQCWHORJHNG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCC3)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYKWSMXOXFMGN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C3CC3)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTUVUPPNYHVEF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C(C)(C)C)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTRBFTADHVIKJN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C(C)C)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUBVGVSLKBGFB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(CC)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPPXNCHKYRZCI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C)nc3cnc(Nc4ccc(OC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRHREEZCKYAMCG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCCC3)nc3cnc(Nc4cccc(OCCOC)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRSFWSTSXVQHQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCCC3)nc3cnc(Nc4cccc(N5CCN(C)CC5)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRALRETVHOBPON-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCCC3)nc3cnc(Nc4cccc(OCC(C)=O)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDDKPSMWCYITGL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCCC3)nc3cnc(Nc4cccc(C(C)=O)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJQDZMPHVLCCFS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGKHAKPSWVGNP-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2c(=O)cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWDOLCMBQDSMT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(OC)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPCBCRAIPSEPN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCCC3)nc3cnc(Nc4cccc(OCC(N)=O)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGXYARCEQWNBD-SDHSZQHLSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)cc3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNRPOAJATSFVLW-QRVBRYPASA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CCC(=O)O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVZHGSXTJTODF-AQNXPRMDSA-N", "SMILES:CNC(=O)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2ccccc2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNRDLHVEGVZPR-XAERSFSZSA-N", "SMILES:CNC(=O)/C=C/C(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2ccccc2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DATATLJPHUXZIH-NJYVYQBISA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2sccc2C#N)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMGQUFNHXWKFR-AQNXPRMDSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccon2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSVVCGAAJLSRP-ZLNRFVROSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)NC(=O)c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBSWUQZJULHKI-SMIHKQSGSA-N", "SMILES:COc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2ccccc2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUWXKXGZYPHOGW-VSKRKVRLSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc3cccnc3s2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEDWIMQXRUOBIF-SMIHKQSGSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CN2C(=O)c3ccccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGZDQLUXYUUJN-ZLNRFVROSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)Cn2sc3ccccc3c2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPNFRFJAXYABQW-PSWDXXOQSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUDKRPAIEWWPJT-SMIHKQSGSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ncn(-c3ccccc3)n2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKWHOLEMOJAES-FCEKVYKBSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2Oc2ccccc2C#N)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHVEWAJOJYGJX-SMIHKQSGSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccc(-n3ccnc3)n2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKVRTRXQLPJVDW-CYXNTTPDSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)C2(c3ccccc3)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJGMUYCIHEJOT-ZLNRFVROSA-N", "SMILES:Cc1cc(=O)[nH]c(SCC(=O)N2CCC[C@H]2C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@H](C(=O)N(C)C)NC2=O)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIYXBEWESNLNKO-ZLNRFVROSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTNPSRXQJCEBS-ZLNRFVROSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CSc2ccccc2C(=O)O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXDVYOKDPJHCIL-CYXNTTPDSA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccc(N3N=C(C(=O)O)CCC3=O)c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWUXPSJXKNUNMK-NJYVYQBISA-N", "SMILES:Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@H](C(=O)N(C)C)NC2=O)c(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJUJSIQYXSBJH-NJYVYQBISA-N", "SMILES:CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2sccc2NS(C)(=O)=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZXTZDELJQRFC-SDHSZQHLSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccccc3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENFEWXUJYIDRB-SMIHKQSGSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3cccc4nonc34)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JADPXRRVFLVLQD-SDHSZQHLSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc4nonc4c3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPKQCRNTSPMMMI-ZLNRFVROSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C#N)s3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPESAAPZKADZIE-SDHSZQHLSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3cccc(C(=O)O)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQUXPEZGFSJPFM-CYXNTTPDSA-N", "SMILES:COC(=O)c1ccc(-c2cccc3c2CSC[C@H](C(=O)N(C)C)NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)COC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNCVBTDEWWNOCO-CYXNTTPDSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(CC(=O)O)cc3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZVIVVGNNUAAA-NJYVYQBISA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)s3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCZPLVUPCCEOU-SDHSZQHLSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(-c4nnn[nH]4)cc3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEZZJARWAMZBLP-SDHSZQHLSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc([N+](=O)[O-])cc3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOFBTRBBYVTGY-CYXNTTPDSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNVFDEAMCBTNIH-PFBJBMPXSA-N", "SMILES:CC(=O)c1ccc(-c2cccc3c2CSC[C@H](C(=O)N(C)C)NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)COC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLECLGNJJVKOME-CYXNTTPDSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3cc(C)c(C(=O)O)c(C)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOJAQLGCTHYMMK-SMIHKQSGSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3cc(F)c(C(=O)O)c(F)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVJSDFBGUYPLOH-CYXNTTPDSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)c(C)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPYVFVOKPKLPHQ-SDHSZQHLSA-N", "SMILES:COc1cc(-c2cccc3c2CSC[C@H](C(=O)N(C)C)NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)COC3=O)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWZZTNGTKTVKIT-SDHSZQHLSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)c(F)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMPSBMDNMYFSG-SMIHKQSGSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIWVUCXHATYZQS-SDHSZQHLSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)c(C(F)(F)F)c3)c2CSC[C@H](C(=O)N(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCMSOZMAHLHBL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NC(=O)c2cnn3cccnc23)cc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBOMSCGLGXURH-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2cc(CN3Cc4ccncc4C3=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSDMYXFAZBFQK-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMGOIDPKQRWFDV-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDEKUQAFQHFZPW-UHFFFAOYSA-N", "SMILES:O=C(OCC(F)(F)F)c1cc(F)cc2cc(CNC(=O)c3cnn4cccnc34)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUYXLLJMMDQQG-SNVBAGLBSA-N", "SMILES:C[C@@H](OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMBDYXWMASWWCH-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc2cc(Cl)cc(-c3nn[nH]n3)c2o1)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCVONQFTQGXCW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc2cc(Cl)c3oc(=O)[nH]c(=O)c3c2o1)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHWMOHUYYVZQR-UHFFFAOYSA-N", "SMILES:COc1cc2sc(C(=O)CCC(=O)O)cc2c(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIMXARMEIZWAX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc2cc(Cl)cc(C(=O)O)c2o1)c1cncc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITYJDGPPMPQLSS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWKCGRQWBFXVOO-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(O)c(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BICDHWPHEXMVAT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIDJONSHBHOWSE-UHFFFAOYSA-N", "SMILES:Cn1c(CNC(=O)c2cnn3cccnc23)nc2c(C(=O)O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZKSSMUQCVHHEA-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cc(Cl)cc(C(=O)O)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHTSIWUTEYRKSI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2c(Cl)c(CNC(=O)c3cnn4cccnc34)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXJLSAVVQKZRIH-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVIDVBQYZOOIP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2cc(Cn3ccc4ccncc4c3=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPIWMFZKJYEJL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cc(CNC(=O)c3cnn4cccnc34)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDKNNMNHNNIMQ-DBRRFXAISA-N", "SMILES:NC1=NC2C(N=CN2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQFOSBPCMXVKY-JJZPZGAKSA-N", "SMILES:CN(C)C(=O)COC(=O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3C(=O)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGUKBYAGUXPWLB-RMDSEJHCSA-N", "SMILES:N[C@H]1C[C@@H](CO)[C@H](c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLVUYFQHZUHVGL-COFKYPDJSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3NC4=O)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPCFPNWRHOYHL-YQKLYGQBSA-N", "SMILES:CN(C)C(=O)COC(=O)c1cc(-c2ccc([C@H]3C[C@H]4C[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFTANOHZRSNBRQ-UIOOFZCWSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3(O)[C@H]4CC[C@H]3CNC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLVUYFQHZUHVGL-KWTBFXGESA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@H]3C[C@H]4C[C@@H]3NC4=O)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRMHZXLZVEJAR-RWPDHJIBSA-N", "SMILES:CC(=O)N1C[C@@H]2C[C@H]1C[C@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXJXLYRJAGOTQU-RMDSEJHCSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXJXLYRJAGOTQU-DFZDUAMZSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@H]3C[C@H]4C[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNOYVYCAPKAUIP-BHYWQNONSA-N", "SMILES:CCOC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(-c2cc(C(=O)OCC(=O)N(C)C)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGUKBYAGUXPWLB-DFZDUAMZSA-N", "SMILES:N[C@@H]1C[C@H](CO)[C@@H](c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMIJBZNOFVQKMV-DURWQBQJSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3C(=O)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFPXXORCCXQLQ-RNJDCESWSA-N", "SMILES:N[C@@H]1C[C@H](C(=O)O)[C@@H](c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVISRHKXWJRZIX-IIRCXYRXSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@@H]3C[C@H]4CN[C@@H]3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKKRMBVRKONHJZ-NRSKXHDUSA-N", "SMILES:CN(C)C(=O)COC(=O)c1cc(-c2ccc([C@@H]3C[C@@H]4C[C@H]3NC4=O)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBDMKBHEWQXLQ-OKKLLPQHSA-N", "SMILES:CS(=O)(=O)C1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMZKRBRULTTHZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CCNC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZSUCXQRPCPKM-ONDZYYNLSA-N", "SMILES:CCOC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMVFXGZVOLNCHO-VYCLJVNGSA-N", "SMILES:N[C@@H]1C[C@H](C(=O)O)C[C@H]1c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMVFXGZVOLNCHO-FDJWOJMMSA-N", "SMILES:N[C@H]1C[C@@H](C(=O)O)C[C@@H]1c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFPXXORCCXQLQ-DURWQBQJSA-N", "SMILES:N[C@H]1C[C@@H](C(=O)O)[C@H](c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMIJBZNOFVQKMV-RNJDCESWSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@H]3C[C@H]4C[C@@H]3C(=O)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRMHZXLZVEJAR-ONDZYYNLSA-N", "SMILES:CC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSHPNRDLABGEOD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBVFFMOJIYQFE-KJYTXNCISA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@@H]3CCN[C@@H]4C[C@@H]43)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVISRHKXWJRZIX-ROXWKXMQSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@H]3C[C@@H]4CN[C@H]3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPNGYHGHBKCPY-UHFFFAOYSA-N", "SMILES:CC1CNCCC1c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKNBJADEALZJU-UHFFFAOYSA-N", "SMILES:CC1CC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQDGCKGKQJSQK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C34CCNCC3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRJGGMBEMQMFPE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C34CCNCC3C4(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBVFFMOJIYQFE-BIYCFNCWSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@H]3CCN[C@@H]4C[C@H]34)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMIILTHLNJXYGX-ROXWKXMQSA-N", "SMILES:N[C@H]1C[C@@H](CO)C[C@@H]1c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMIILTHLNJXYGX-IIRCXYRXSA-N", "SMILES:N[C@@H]1C[C@H](CO)C[C@H]1c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWVVERQXZNCUTG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cc(C34CCN(CC3)CC4)ccc2Br)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFJYGRHGTWLHKA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CC4CCC3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJOGAAZKPQRKX-ATIYNZHBSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3=C[C@H]4CC[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDICBXOKCHRLGB-MQNCWCGJSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@@]3(O)C[C@H]4CC[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDICBXOKCHRLGB-VOKYQHOCSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@]3(O)C[C@H]4CC[C@@H]3CN4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPFXXNNDNHVSHS-GOTSBHOMSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3[C@H]4CC[C@H]3CNC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NILNYSGJQCHJBX-SVBPBHIXSA-N", "SMILES:COC1(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)[C@H]2CC[C@H]1CNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEIFKRCHCBVECG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CC4CCC(C3)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWWUZVPCPSEAK-LQJZCPKCSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3(O)[C@H]4CC[C@H]3CN(Cc3ccccc3)C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJONLPCKILUYKI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3=CC4CCC(C3)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPJLRNYVHLCSPD-SPEOLMPASA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@@]3(O)C[C@H]4CC[C@@H](C3)N4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXAMXNWIHBLBN-JIMJEQGWSA-N", "SMILES:Cc1nnc2c(NC3CCN(CC(C)(C)F)CC3)cc(C(=O)N3[C@@H]4c5ccccc5C[C@H]3C(=O)N[C@@H]4C(C)C)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRZNNUGTWNEAQO-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2C3Cc4ccccc4C2CNC3=O)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRZNNUGTWNEAQO-GJZGRUSLSA-N", "SMILES:COc1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVZFTSPUWVDNIF-GJZGRUSLSA-N", "SMILES:Cc1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)c[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNLKRBYUMMJKS-GJZGRUSLSA-N", "SMILES:Cn1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)cc(N)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSOPMDVEOLQTR-HOTGVXAUSA-N", "SMILES:CNc1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSMXSXKXZWENQ-HOTGVXAUSA-N", "SMILES:Cn1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRKCASUVRVKFNC-IRXDYDNUSA-N", "SMILES:COc1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)cc2c(C)n[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYBWRVBBIRKIQ-HOTGVXAUSA-N", "SMILES:Cc1nnc2c(N)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBYZHHIVMFYGJA-IRXDYDNUSA-N", "SMILES:CN1C[C@H]2c3ccccc3C[C@@H](C1=O)N2C(=O)c1cn(C)c(=O)c2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGKGUFUFRMVUKS-OALUTQOASA-N", "SMILES:Cn1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)c2c([nH]c3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNXBRGAPGZZQQQ-JMGHSTIFSA-N", "SMILES:C[C@H]1NC(=O)[C@@H]2Cc3ccccc3[C@H]1N2C(=O)c1cn(C)c(=O)c2[nH]c3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLAFYWGFSATOQ-BGWNEDDSSA-N", "SMILES:CC(C)[C@H]1NC(=O)[C@@H]2Cc3ccccc3[C@H]1N2C(=O)c1cn(C)c(=O)c2[nH]c3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADSUFZBNRIJHHG-DNKSNICWSA-N", "SMILES:C[C@H]1NC(=O)[C@@H]2Cc3ccccc3[C@H]1N2C(=O)c1cn(C)c(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNMUWJXNHYJGEP-GJZGRUSLSA-N", "SMILES:Cc1nnc2c(N)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHORYVPQYHQXHH-VXKWHMMOSA-N", "SMILES:Cc1nnc2c(NC3CCN(C)CC3)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFALEKLXZVKEKY-SFTDATJTSA-N", "SMILES:Cc1nnc2c(NC3CCN(C)CC3)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJDAPEOBMGLZBI-VXKWHMMOSA-N", "SMILES:Cc1nnc2c(NCCCN3CCCC3)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPBPHZMEOCLHP-ISJGIBHGSA-N", "SMILES:Cc1nnc2c(NCCCN3CCCC3)cc(C(=O)N3[C@@H]4c5ccccc5C[C@H]3C(=O)N[C@@H]4C(C)C)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMNMOVIEDRHEDO-ISJGIBHGSA-N", "SMILES:Cc1nnc2c(NCCCN3CCC(F)(F)CC3)cc(C(=O)N3[C@@H]4c5ccccc5C[C@H]3C(=O)N[C@@H]4C(C)C)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFNXIAXHDYYCH-ISJGIBHGSA-N", "SMILES:Cc1nnc2c(NC3CCN(CC(C)(F)F)CC3)cc(C(=O)N3[C@@H]4c5ccccc5C[C@H]3C(=O)N[C@@H]4C(C)C)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEZGFZETZHCNE-NVNXTCNLSA-N", "SMILES:CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFKQQXLECNVLOF-OKILXGFUSA-N", "SMILES:CN(C)C(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEAQLOYCHTEOK-OKILXGFUSA-N", "SMILES:Cn1ccc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHRBBMIUWSRQK-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCC(N)CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOTJZQMSLYWZGS-HOMQSWHASA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@H](O)CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIPXRWCSYVPASR-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc(C(N)=O)nc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSTBOHHHDSKXCI-MGCOHNPYSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@H](N)CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNXVKLBIXPQLNO-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSTBOHHHDSKXCI-AOOOYVTPSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTOOGMEPVBLJF-XYPYZODXSA-N", "SMILES:C[C@H]1CC[C@H](Nc2nc(Nc3ccc(C(N)=O)nc3)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGBMMYCFPSSHA-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(Nc3ncc(C(F)(F)F)c(NCC4CCNCC4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJLNUWWHLHCSRT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYCIOWTJQGFPM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUVJFVDBXUHWTQ-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(C(=O)c3ccc(Nc4ncc(C(F)(F)F)c(NCC5CCNCC5)n4)cn3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCSFKPLLCCMQM-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWWOWSDXQIZWHB-UHFFFAOYSA-N", "SMILES:CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCNCC4)CC3)c(OC)c2)nc1NC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLUQZHJYRGOQO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENAMFOTVUMSDW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPZATOLIHWYKR-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMUVTTAWPZGUOG-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCC(O)CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKMNVWCDUCOIDP-AULYBMBSSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@H](O)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKMNVWCDUCOIDP-BJHJDKERSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](O)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLOBMSYWWVZKE-HAQNSBGRSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@H](N)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLOBMSYWWVZKE-TXEJJXNPSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVMEYVYURPBQO-BETUJISGSA-N", "SMILES:CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSHKYVXNYQFFB-XBXGTLAGSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMRFBIYDLXEKE-OKILXGFUSA-N", "SMILES:N[C@H]1CC[C@@H](Nc2nc(Nc3ccc(NC(=O)C4CC4)cc3)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWBRXBULSRDSV-PHIMTYICSA-N", "SMILES:COc1cc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOTKLXSYRKYLER-TXEJJXNPSA-N", "SMILES:Cc1cc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMRTXLQZCLZOKS-BETUJISGSA-N", "SMILES:N[C@H]1CC[C@@H](Nc2nc(Nc3ccc4c(=O)[nH]ccc4c3)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDNSYBLAQJWMCI-GASCZTMLSA-N", "SMILES:N[C@H]1CC[C@@H](Nc2nc(Nc3ccc4c(=O)n(CCO)ccc4c3)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBZSRMYVQKOCFK-CALCHBBNSA-N", "SMILES:N[C@H]1CC[C@@H](Nc2nc(Nc3ccc4c(=O)n(CC5CC5)ccc4c3)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USEARZGMRUHRRW-TXEJJXNPSA-N", "SMILES:N[C@H]1CC[C@@H](Nc2nc(Nc3ccc4c(c3)CNC4=O)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGHRMAKDYMLGF-BETUJISGSA-N", "SMILES:CN1Cc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUVRHKEXMYJHA-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-c1nc(NCc2ncccc2O)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1529478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBDAEJRHUCSSPR-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIAQILFHHNFFE-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(NCc3cccs3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1394113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOWAIVUSZXVEK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1479741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSIXJUPVCCEAQP-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLPYRFQWRZWMC-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc(NCc3cccs3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAWADAPHCYKKBZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1nc(NCC2CCCCC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSLPKHQATHBXTP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1317494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJNVNKVHKFRVIP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSBPSFRUNATMDF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1nc(NCc2cnccn2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQBUXPXVLFMNFO-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1nc(NCc2ccccn2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSNWXNPFECSHNH-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1nc(NCCc2cccs2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBSXRGEPCVHDY-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2nc(NCc3ccccn3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJLUIULEWIQDP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2nc(NCc3ccccn3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBKRYFZISVPJT-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(NCc3ccccn3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLLRXVECNCYJY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(NCc3ccccn3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXHQVQKQUHRYAU-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-c1nc(NCc2ccccn2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJTGCONWTGQKGH-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1nc(NCc2ccccn2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIIFSCJCUQLESI-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccccc2-c2nc(NCc3ccccn3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHOHREHBEGUMHX-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1nc(NCc2ccccn2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUVZDPRERPATJ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccccc1-c1nc(NCc2ccccn2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLARDMBCMULRZ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-c1nc(NC(C)c2ccccn2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGVEPGQQNEMLV-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQFZVOONUHIJMR-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-c1nc(NCc2ccccn2)c2ncccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWPSINQLKKYKID-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-c1nc(NCc2ccccn2)c2cccnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGQEMIIURMZPE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1nc(NCc2ccccn2)c2cccnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEZMAUGHWKZDR-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-c1nc(NCc2ccccn2)c2c(ccn2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRWRXOFNJZJEE-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-c1nc(NCc2ccccn2)c2[nH]ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1378392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIEFAIOSYLQBJX-UHFFFAOYSA-N", "SMILES:Cn1nnnc1Sc1ncnc2scc(-c3cccc(S(C)(=O)=O)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUXDSWZYLRTQNC-YQANZGDRSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGCBAAYLFTIJU-CQSZACIVSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWWWKWUCDUISA-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c34)C1=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRUWGFZGQNPPD-UHFFFAOYSA-N", "SMILES:C=CCCn1cc(-c2cc(C(=O)N3CCOCC3)cc3c2ncn3C)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REBSCEKUSAWQBZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc(N)n3nc(-c4ccco4)nc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUFLURSSLHPRT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc(N)n3nc(-c4ccccn4)nc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYWBZGZWKOKDH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc(N)n3nc(-c4nccs4)nc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYSAGUGAFNVWHS-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2nc3c(-c4ccc(=O)n(C)c4)cnc(N)n3n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJDXFGQVZGHIH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3c(-c4ccc(=O)n(C)c4)cnc(N)n3n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRDZFYHMPCZFJ-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2nc3c(-c4ccc(=O)n(C)c4)cnc(N)n3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMNUBMDOSFREH-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2nc3c(-c4ccc(=O)n(C)c4)cnc(N)n3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBQCIJZFCKAMC-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc3c(-c4ccc(=O)n(C)c4)cnc(N)n3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXSKQBRFSNNMC-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1nc2c(-c3ccc(=O)n(C)c3)cnc(N)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQQNDZPIWTDSO-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc(N)nc2-c2ccco2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGQECSGIXPHGH-DKTOFBLQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJOHXTAFMGLGQQ-QQAORGPTSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDYMWLBPNDHXRS-JNBOWGCNSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBPBCDWRZZQNW-JLBMDJRRSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSNZYKEDOVVON-DVXWNLRTSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWXCIPTJRLETK-OADJZVBOSA-N", "SMILES:C[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cn2)[C@@H]2[C@@H](C)OC(=O)[C@@H]2C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKBZUWGRJYQDV-PCKNYGHKSA-N", "SMILES:C[C@H]1OC(=O)[C@@H]2CC(F)(F)[C@@H](C)[C@H](c3ccc(-c4cccc(F)c4)cn3)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLIQYZBUZWFDCY-PVRCLSPLSA-N", "SMILES:C[C@H]1OC(=O)[C@@H]2CC3(NC(=O)NC3=O)[C@@H](C)[C@H](c3ccc(-c4cccc(F)c4)cn3)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRYOEZXGNEQRI-FWYBQSBQSA-N", "SMILES:CC1=NO[C@@]2(C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@@H](c1ccc(-c3cccc(F)c3)cn1)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRPIXHLBIZPOEK-HCAPQHCESA-N", "SMILES:C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRDXXXIGJTZKI-KJQHQIRPSA-N", "SMILES:C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMYAZTMBKLCUCV-SBHUKJBYSA-N", "SMILES:CC[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(O)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYZZUHLFTHINHG-LPMNVVFPSA-N", "SMILES:Cc1cccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@]4(O)CC(F)(F)[C@H]3C)nc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPXDRZNKJEHEU-KJQHQIRPSA-N", "SMILES:C[C@H]1OC(=O)[C@]2(N)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGNIIXEGQNRQK-KJQHQIRPSA-N", "SMILES:C[C@H]1NC(=O)[C@]2(N)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGVWWWHJXWMBF-AJHDHPQASA-N", "SMILES:C[C@@H]1[C@@H](C)[C@@H]2CNC[C@@]23C(=O)O[C@H](C)[C@H]3[C@H]1/C=C/c1ccc(-c2ccccc2C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQLDSQMKYNOLSY-NMEDCDPJSA-N", "SMILES:C[C@@H]1[C@@H](C)[C@@H]2CN(C)C[C@@]23C(=O)O[C@H](C)[C@H]3[C@H]1/C=C/c1ccc(-c2ccccc2C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAFRFQOCCOJJAY-IDKUMADTSA-N", "SMILES:CCOC(=O)N1C[C@H]2[C@H](C)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@@H]3[C@@H](C)OC(=O)[C@@]32C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCVUIRWXVLSUPE-SXBLFBATSA-N", "SMILES:CNC(=O)N1C[C@H]2[C@H](C)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@@H]3[C@@H](C)OC(=O)[C@@]32C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAELFEWPCXTKFL-IDKUMADTSA-N", "SMILES:CCNC(=O)N1C[C@H]2[C@H](C)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@@H]3[C@@H](C)OC(=O)[C@@]32C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWJLLBPWLUINU-UHFFFAOYSA-N", "SMILES:CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(c3c2)-c2cn(nc2C(F)(F)F)CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVQOYBIBWBAHKH-UHFFFAOYSA-N", "SMILES:CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(c3c2)-c2cn(nc2C(F)(F)F)CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWOJRGRRNWQSOH-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSFHJBONZQKCR-UHFFFAOYSA-N", "SMILES:CN1Cc2nn(C)cc2-c2cnc3[nH]cc(c3c2)-c2cnn(c2)CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXVJSLNUZNAQHS-UHFFFAOYSA-N", "SMILES:CN1Cc2nn(C)cc2-c2cnc3[nH]cc(c3c2)-c2cnn(c2)CCCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPDDWGYJIGNTR-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ncc3cc2c1-c1cn(nc1C(F)(F)F)CCCC(=O)N(C)Cc1nn(C)c(C#N)c1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEAUISSAHDPODS-UHFFFAOYSA-N", "SMILES:COc1c2c(nn1C)CN(C(C)C)C(=O)CCCn1cc(c(C(F)(F)F)n1)-c1c[nH]c3ncc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVIRZIGSUYNQLP-UHFFFAOYSA-N", "SMILES:COc1c2c(nn1C)CN(C(C)C)C(=O)CCCn1cc(c(C(F)(F)F)n1)-c1c(C)[nH]c3ncc-2cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUQMBHQZRWIXEM-UHFFFAOYSA-N", "SMILES:CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]nc(c3c2)-c2cn(nc2C(F)(F)F)CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDAAXACYZBWYTQ-UHFFFAOYSA-N", "SMILES:CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(c3n2)-c2cn(nc2C(F)(F)F)CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJAPBRMDBKVVEM-UHFFFAOYSA-N", "SMILES:CN1Cc2nn(C)c(C#N)c2-c2cc3c(c[nH]c3nn2)-c2cn(nc2C(F)(F)F)CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCOAWBYMMFQLLG-HPFNVAMJSA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARMJOHSRMAQJD-JAFYTLJUSA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]1OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXFZTFPVCNIRJ-JGFXTCLBSA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBBUOMVOFHKUNL-SCONTCDCSA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](O)[C@H]1OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPHCZMKLZOKKV-RTKPUPKJSA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@@H]3O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYMTEZMYWSEJB-BQQTZKQXSA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@@H]3O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]3OS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](O)[C@H]1OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTAYRTOFKVNHSI-WWVMWJLHSA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@@H]3O[C@@H](C(=O)O)[C@@H](O[C@@H]4O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]4OS(=O)(=O)O)[C@H](O)[C@H]3OS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](O)[C@H]1OS(=O)(=O)O"]}
{"name": "C-C motif chemokine 7", "xref": ["CHEMBL.TARGET:CHEMBL3217391"], "id": "UniProtKB:P80098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROMZLOIIWBBLQF-JAFYTLJUSA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZUKQXVKRCSTI-AFZWUWRASA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLOQUXCLFGRHW-JCOSJTSTSA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@@H]3O[C@@H](C(=O)O)[C@@H](O[C@@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLAJRHCOGSPRB-LVEVGGMOSA-N", "SMILES:NCCOCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@@H]3O[C@@H](C(=O)O)[C@@H](O[C@@H]4O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBUZNMQCWNZGOV-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAGJVFSWKNHNE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCNc2nccc(-c3c(-c4ccccc4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVVCUBKDSASMOZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCNc2nccc(-c3c(-c4ccccc4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWRKCWOPVDYLH-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSYTEVCAWYYAK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2nccc(-c3c(-c4ccccc4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFPAMUZIRWPPKB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCNc2nccc(-c3c(-c4ccccc4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHEKKLAAPQPHPZ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBGBFUWDAKFSW-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZKPRJFGZDXFE-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVDXVNGRDBBHC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCNc2nccc(-c3c(-c4cccc(OC)c4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHDWAHCQKUXFX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(C)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAJMVGKWALBKMO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc4ccccc4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXCHNZCVKMKQZ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLAOTXFABEKLN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCNS(=O)(=O)c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBNIWXCRICZMB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXCDKWAUSFFTCC-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCNS(=O)(=O)c3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDDQSURBHYSLH-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2nccc(-c3c(-c4cccc(OC)c4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNBXNMYYSMTJZ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(C)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYNMCHVIOLYGI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCCNS(=O)(=O)c3ccc4ccccc4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHCWBXOMKEWOH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSMPHUUCLUMFT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEWMZSLBPULECY-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTKVNGJHSXXEQP-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYJBUHNTGURQT-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTDFQBJLVANOU-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCNc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRLQKSQBLOFNLZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNUESPLCMDNRV-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSFVQHHLZZEAPY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCNc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKTMBOPITJTLSW-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1nccc(-c2c(-c3ccc(O)cc3)nc3sccn23)n1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARNPINFHUMHSCO-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCNc2nccc(-c3c(-c4ccc(O)cc4)nc4sccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFTAGVVIUQANFH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCN(C)S3(=O)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVIOUFGAVRASMG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCN(Cc4ccccc4)S3(=O)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMWAPZMXZNHBPR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CC(C)(C)NS3(=O)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXNSRXKNPVDFN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCCN(C)S3(=O)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPBYHMBPTVCKA-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCNS3(=O)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMYRHTUJSGBXRF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCCNS3(=O)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWRBBJOOCODFQA-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCCN(C(=O)OC(C)(C)C)S3(=O)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOYUDKCKRWVNR-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPIXJUZFBUGAQ-UHFFFAOYSA-N", "SMILES:O=S1(=O)N(CCNc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)CCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMHXRQVMRBRMZ-UHFFFAOYSA-N", "SMILES:CC1(C)CN(CCNc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGTDYVHXKFGFRC-UHFFFAOYSA-N", "SMILES:CN1CCCN(CCNc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRGFBOPKUXCDZ-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCN1CCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPSOTASKNWJRT-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCCN1CCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCDZZJRQPSSNHD-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCN(CCNc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLGJWOWUNPXNSS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3ccc(C)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQGJTVUTXAMQR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3sccn3c2-c2ccnc(NCCNS(=O)(=O)c3cccc4ccccc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWUYSYBMZPOIDO-UHFFFAOYSA-N", "SMILES:N#CC(CCNCCc1ccccc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTNBQDJIBGONA-UHFFFAOYSA-N", "SMILES:N#CC(CCN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGIZYVFIPJBSBU-UHFFFAOYSA-N", "SMILES:N#CC(CCNCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNWEDVAMBIZAQ-UHFFFAOYSA-N", "SMILES:N#CC(CCNCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL346898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOCKYDZSPRJPT-UHFFFAOYSA-N", "SMILES:CN(C)CCC(C#N)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCNQTLANEBMAPM-UHFFFAOYSA-N", "SMILES:CN(C)CCC(C(=O)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL346331", "category": ["biolink:ChemicalEntity"], "name": "NORMETHADONE", "xref": ["InChIKey:WCJFBSYALHQBSK-UHFFFAOYSA-N", "SMILES:CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1"], "synonym": ["Normethadone", "Normethadone", "Normetadona", "Eucopon", "Isomethadone i", "Mepidon", "HOECHST 10582", "HOECHST-10582", "IDS-NN-007", "J5.915C", "NSC-19598"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5077104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRTUEHYBPGJDW-UHFFFAOYSA-N", "SMILES:N#CC(CCNCCCCC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCEDZTWELCPACO-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRAXIKDADSVQMU-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCN1CCc2ccc(C#N)cc2C1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYMOYRKEPVSSAG-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCNCCc1ccccc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSCLYSXBPPXRCJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCNCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBBXZOTHIPKRG-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCNCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJKSHVBEJFBNJR-UHFFFAOYSA-N", "SMILES:CCc1cccc(N2CCN(CCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHFQYAAKKMELH-UHFFFAOYSA-N", "SMILES:CCc1cccc(N2CCN(CCCCNCCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXLUAMSMIJONAJ-UHFFFAOYSA-N", "SMILES:CCc1cccc(N2CCN(CC(O)CCNCCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNGMNWXSRTYJA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCNCCCCN1CCc2ccc(C#N)cc2C1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJVZGFQTWRYQO-VWLOTQADSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CCC(C#N)(c2ccccc2)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASFIQZWALJTDCY-PMERELPUSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CCCCNCCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASFIQZWALJTDCY-UHFFFAOYSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN2CCCCNCCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWDNVLTBILVHN-UHFFFAOYSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN2CC(=O)N2CCC(c3ccccc3)(c3ccccc3)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXWTIUJXQLTFC-XZWHSSHBSA-N", "SMILES:CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@@H](OCCCCNCCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CN2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWWARCXHKBRSK-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=CCNCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXIPJCMKQNCCQK-UHFFFAOYSA-N", "SMILES:Oc1cccc(C(CCNCCCCN2CCN(c3ccccc3)CC2)c2cccc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJBZDUBBVKDOMN-UHFFFAOYSA-N", "SMILES:CCc1cccc(N2CCN(CCC(c3cccc(OC)c3)c3cccc(OC)c3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZHIOMXZZAVYQK-UHFFFAOYSA-N", "SMILES:CCc1cccc(N2CCN(CCC(c3cccc(O)c3)c3cccc(OC)c3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVVQJFPHWQITG-UHFFFAOYSA-N", "SMILES:CCc1cccc(N2CCN(CCC(c3cccc(O)c3)c3cccc(O)c3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWVCRLPWWEGRD-LBVTXTQZSA-N", "SMILES:CCOC(=O)/C=C1\\[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGXFLYQBFUCHR-BHOHKKBBSA-N", "SMILES:Oc1cccc([C@@]23CCC[C@@H]([C@H]2O)N(C/C=C/c2ccccc2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUTDAMBATXHKHN-RBQJHTGYSA-N", "SMILES:CCOC(=O)/C=C1\\[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCCCNC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFNVUZGWWDUWJI-VRDCJJRQSA-N", "SMILES:CCOC(=O)/C=C1\\[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CC1CC1CCNC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFNVUZGWWDUWJI-HDZLCOIDSA-N", "SMILES:CCOC(=O)/C=C1\\[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2C[C@H]1C[C@@H]1CCNC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFNVUZGWWDUWJI-ATJRSEPMSA-N", "SMILES:CCOC(=O)/C=C1\\[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2C[C@@H]1C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOALUBYHXLQXRI-KLJDGLGGSA-N", "SMILES:O=C(NCCCCN1CC[C@]2(c3cccc(O)c3)CCC[C@H]1[C@@H]2O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOALUBYHXLQXRI-WEWMWRJBSA-N", "SMILES:O=C(NCCCCN1CC[C@]2(c3cccc(O)c3)CCC[C@H]1[C@H]2O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNFFYWAFMNDNY-XIAQDFCPSA-N", "SMILES:CCOC(=O)/C=C1\\[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201294", "category": ["biolink:ChemicalEntity"], "name": "DIPHENOXYLATE", "xref": ["InChIKey:HYPPXZBJBPSRLK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1"], "synonym": ["Diphenoxylate", "Diphenoxylate", "Difenoxilato", "IDS-ND-016"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5094044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDNISCTQCOCTC-UHFFFAOYSA-N", "SMILES:CN(C)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYBFKIKMIMZJGI-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccccc2)(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZLAFLZRGLEFK-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(c2ccccc2)(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERQQXVWKFJWFS-QUJHGWJTSA-N", "SMILES:CCOC(=O)/C=C1\\[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLHPUJRNBPHLE-IHRRRGAJSA-N", "SMILES:Oc1cccc([C@]23CCC[C@H](NCC2)[C@@H]3O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLHPUJRNBPHLE-MJBXVCDLSA-N", "SMILES:Oc1cccc([C@]23CCC[C@H](NCC2)[C@H]3O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWBCLDZZBREDER-FLVLSHQESA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPESRSAERAYBLW-YRYLYKBFSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGCJQUJPEBQTJO-VFNNOXKTSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVUORZNVQVDES-PEQFHUMCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)/C=C/c1ccccc1Cl)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2289691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFFVINCQFWDHTA-KQPPXVQYSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGVNIJCMFFTFGQ-CEUCYRDJSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2289685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHZDMUCWAYRRHW-MRZGDXHCSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2289689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNWWZHYINOTXRH-HSSPRWGWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQQTQXAUPOOLH-VMSUTVGLSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNRRLACDIBMRGO-MPNRVQBSSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAOGCWKHIYGHD-DYLGSBMWSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTYSSXYZWDBGL-MCCLBDCCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOSBMNAYDXBLLW-KQPPXVQYSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAYNRSVXRSVFGO-CEUCYRDJSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYXSAJGHAKGMRM-MRZGDXHCSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXBNJJTIITAMV-HSSPRWGWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(F)cc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJZCZRFHBQFJGK-KQPPXVQYSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRERQGKNOHACNO-CEUCYRDJSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUBOQWDONYLFR-MRZGDXHCSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBIHGYLUJIPFN-HSSPRWGWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWAXPZCUFIKMTQ-FUVBFXSKSA-N", "SMILES:COc1cc(/C=C/C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL107251", "category": ["biolink:ChemicalEntity"], "name": "1400W", "xref": ["InChIKey:RODUKNYOEVZQPR-UHFFFAOYSA-N", "SMILES:CC(=N)NCc1cccc(CN)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5087421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLORPOXOKVMFDB-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(Cl)ccc3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVEQJKBTDGHKNH-UHFFFAOYSA-N", "SMILES:N#CCCN1CCC2CCN(c3ncnc4[nH]c5cc(Cl)ccc5c34)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHRIEGYBMPDSI-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3ccccc3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBCFWOPSOUYBZ-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(F)ccc3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLORPOXOKVMFDB-CQSZACIVSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(Cl)ccc3c12)[C@@H]1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLORPOXOKVMFDB-AWEZNQCLSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(Cl)ccc3c12)[C@H]1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFZYZOTSJFTLS-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(Br)ccc3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFZYZOTSJFTLS-CQSZACIVSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(Br)ccc3c12)[C@@H]1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFZYZOTSJFTLS-AWEZNQCLSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(Br)ccc3c12)[C@H]1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEHJYPHHCAASBM-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(I)ccc3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIPBLMGUSQVVII-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3ccc(Cl)cc3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBAAVSLZMXPPFJ-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3ccc(Br)cc3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPMRSQITGIATG-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3cccc(Cl)c3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNNNKOOCZSEHI-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(-c4ccccc4)ccc3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMQDGHOYOFMPCB-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(-c4ccco4)ccc3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDDLKYYYUMIHSP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1ncnc(N(C)C3CCCN(CCC#N)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGFSOGRDATBMJ-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(C#N)ccc3c12)C1CCCN(CCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWVFPWNSYBICQ-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2c(c1)[nH]c1ncnc(N(C)C3CCCN(CCC#N)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWVFPWNSYBICQ-INIZCTEOSA-N", "SMILES:C#Cc1ccc2c(c1)[nH]c1ncnc(N(C)[C@H]3CCCN(CCC#N)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCDBSWDDKSJURQ-UHFFFAOYSA-N", "SMILES:N#CCCN1CCC2CCN(c3ncnc4[nH]c5cc(F)ccc5c34)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUKJDSXJNFJCMP-UHFFFAOYSA-N", "SMILES:N#CCCN1CCC2CCN(c3ncnc4[nH]c5cc(Br)ccc5c34)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGSGQFAHYFBAGY-UHFFFAOYSA-N", "SMILES:N#CCCN1CCC2CCN(c3ncnc4[nH]c5cc(I)ccc5c34)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URBYWPRCCPYFPJ-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC43)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJLYZTYJSMPZHT-UHFFFAOYSA-N", "SMILES:Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCCNC(=O)C2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYFYUOBKSQTFF-UHFFFAOYSA-N", "SMILES:Brc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1NCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZOBRBJIJWWHH-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKQQLKFPBCSDP-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C1CC1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKEYNQACQWYICF-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHPBLCYPFBBOND-UHFFFAOYSA-N", "SMILES:Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMRIOJHLVFZPJQ-UHFFFAOYSA-N", "SMILES:Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCc2c[nH]cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDROKTFULACVDQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUFFLYGGNSKHRQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZHSZIDGUKBRK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEEWXIVVPABJAB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMYVADPKXVMAAT-UHFFFAOYSA-N", "SMILES:Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJLKNDKEHFXHG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(NC(=O)N4CCCC4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLOKHGQUCOEVIY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHDCONQUBRRDH-UHFFFAOYSA-N", "SMILES:c1cc(CN2CCOCC2)cc(Nc2ncc(C3CC3)c(NCCc3c[nH]cn3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMMILYKXNCVKOJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5076165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJQKEUUDXLTMOB-UHFFFAOYSA-N", "SMILES:Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCc2cnc[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKXAPJAJZRQNMB-UHFFFAOYSA-N", "SMILES:Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIGOWUZQQHANO-UHFFFAOYSA-N", "SMILES:c1cc(CN2CCOCC2)cc(Nc2nccc(NCCc3cnc[nH]3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWARBDRHHIUQAF-UHFFFAOYSA-N", "SMILES:Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCCCNC(=O)C2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJECJFJNVHNEPD-UHFFFAOYSA-N", "SMILES:Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCCc2cnc[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIJVLCXKSPDTFW-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCN(CCCc2noc3cc(F)ccc23)C1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGAZHMNNANZRL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)CC2CCN(CCCc3noc4cc(F)ccc34)C2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJIVVRGSAPJAB-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCN(CCCc2noc3cc(F)ccc23)C1)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIGNJJGSVYZRNL-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCN(CCCc2noc3cc(F)ccc23)C1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQLAYGIWUDXCY-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCN(CCCc2noc3cc(F)ccc23)C1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKJNAOFYRHUIC-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCN(CCCc2noc3cc(F)ccc23)C1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBOLMZIHCLEGC-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCN(CCCc2noc3cc(F)ccc23)C1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHOJSUXPQWHSGV-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCN(CCCc2noc3cc(F)ccc23)C1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIDBAGSIAXQHD-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCN(CCCc2noc3cc(F)ccc23)C1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UERGTNHPAUDQLE-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CCN(CCCc2noc3cc(F)ccc23)C1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVDJXDQBYVOLF-UHFFFAOYSA-N", "SMILES:Cc1cccc(S(=O)(=O)CC2CCN(CCCc3noc4cc(F)ccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHUEWKMPMINSU-YOEHRIQHSA-N", "SMILES:C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2)CN1CCCc1noc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPHJGSMNRMHHKG-ZFWWWQNUSA-N", "SMILES:C[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)CN1CCCc1noc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDJYJCCQWSDIIV-RDJZCZTQSA-N", "SMILES:C[C@H]1C[C@H](NS(=O)(=O)c2csc3ccccc23)CN1CCCc1noc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQPMBLYTIZGFII-YJBOKZPZSA-N", "SMILES:C[C@H]1C[C@H](NS(=O)(=O)c2cc3ccccc3s2)CN1CCCc1noc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBSOVNOVWIQDRP-YJBOKZPZSA-N", "SMILES:C[C@H]1C[C@H](NS(=O)(=O)c2cc3ccccc3o2)CN1CCCc1noc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSHPGFICACACL-KSSFIOAISA-N", "SMILES:C[C@H]1C[C@H](NS(=O)(=O)c2cc3ccc(F)cc3s2)CN1CCCc1noc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRRFUVZISYAJG-KSSFIOAISA-N", "SMILES:C[C@H]1C[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3s2)CN1CCCc1noc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJYORAVGPKORL-KSSFIOAISA-N", "SMILES:Cc1c(S(=O)(=O)N[C@H]2C[C@H](C)N(CCCc3noc4cc(F)ccc34)C2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLGKXVMBSLHNKH-UWJYYQICSA-N", "SMILES:C[C@H]1C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)CN1CCCc1noc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMQUTFMPAXQIBI-KKSFZXQISA-N", "SMILES:C[C@H]1C[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CN1CCCc1noc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYHRMKJZEMSNLX-OAHLLOKOSA-N", "SMILES:CN1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL860", "category": ["biolink:ChemicalEntity"], "name": "E-DOXEPIN", "xref": ["InChIKey:ODQWQRRAPPTVAG-GZTJUZNOSA-N", "SMILES:CN(C)CC/C=C1\\c2ccccc2COc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5088972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBXIICBAUENSO-UHFFFAOYSA-N", "SMILES:CCCN1CCN(C(=O)c2ccccc2Cl)C(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORNAFSLOXVSFBM-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccccc2Cl)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZBHVVXTTXJUSZ-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2ccccc2Cl)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMDMSUSNUEIQI-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1Cl)N1CCN(CCC(F)(F)F)C(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCJOYNWPJLMEA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)N1CCN(C(=O)Nc2ccccc2Cl)C(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMPXGEGQMCCWNN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(c3c(Nc4ccccc4C)c(=O)c3=O)CC2c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJIEXHVBIFHNI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(c3c(Nc4cccc5ncccc45)c(=O)c3=O)CC2c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMFTHKEJBIEAH-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2CCN(c3c(Nc4ccccc4C)c(=O)c3=O)CC2c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGLOFMPATPGING-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1c(N2CCN(C(=O)Nc3ccc(Cl)cc3)C(c3ccccc3)C2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFGXJPZAYHTFO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1c(N2CCN(C(=O)Nc3ccccc3Cl)C(c3ccccc3)C2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGAPARDPFBXRB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2CCN(c3c(Nc4ccccc4C)c(=O)c3=O)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCDMDLIDXWBYJH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1c(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSMVZAUCCRIFT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1c(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMVWTPRYQHDDV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTFKHOMNVENSD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)N2CCN(c3c(Nc4ccccc4C)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFFQXVADQDCKLF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1c(N2CCN(C(=O)Nc3ccccc3)CC2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZWTHDURBBKJK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1c(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMZGMQNXMWHQG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1c(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRNUPSBLFOTXCB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)N2CCN(c3c(Nc4ccccc4C)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQIYAOPWFSNDGL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1c(N2CCN(C(=O)NC3CCCCC3)CC2)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLOBBHKCQATWQN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)N2CCN(c3c(Nc4cccc5ncccc45)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDFDPKQHHZWBEU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)CC2c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPCYMRVLYIKGB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cn2nc(CC(=O)O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDPCONXMQGBNG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cc2nn(CC(=O)O)c(=O)c3ccccc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWIQSZQZHLCTM-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQYYHWHKPOOPM-UHFFFAOYSA-N", "SMILES:COc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBFYUERUHDXHMZ-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFSMQDIXCQWEPL-UHFFFAOYSA-N", "SMILES:CCOc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJNJARPEJYGMNO-UHFFFAOYSA-N", "SMILES:CCOc1cc2[nH]c(Cc3nn(CC(=O)N4CCOCC4)c(=O)c4ccccc34)nc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWTNNHPLJUYSNI-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC(F)F)cc3[nH]2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCUJJSURRGCKV-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWRHCSQKKZBEW-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nc(Cc2nc3cc(C(F)(F)F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUVOQFWQAMVOA-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nc(Cc2nc3cc(F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZDULENBVZJPOB-UHFFFAOYSA-N", "SMILES:CCn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQOYCWQXHLRIU-UHFFFAOYSA-N", "SMILES:O=C(Cc1nn(C2CCNC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABVFVDOETADVTL-UHFFFAOYSA-N", "SMILES:O=C(Cc1nn(C2CC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSKGHXCRQGOCU-UHFFFAOYSA-N", "SMILES:O=C(Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOMWVNVTYMNQQ-UHFFFAOYSA-N", "SMILES:CCOc1cc2cn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XANWYMVQFRIZRC-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBGQQCRXEBOHKL-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBLAHRLQSYUXDI-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYONIANMTRUMEL-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYONIANMTRUMEL-ZDUSSCGKSA-N", "SMILES:C[C@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYONIANMTRUMEL-CYBMUJFWSA-N", "SMILES:C[C@@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMYJFAKBJFCKDD-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNATDLRXKMBJO-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2nn(Cc3cn4cc(OCC5CC5)c(Cl)cc4n3)c3ccccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJBXOIDQGHQCF-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARWHYQZOINCMG-UHFFFAOYSA-N", "SMILES:COC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJAMLCJMNSVQOI-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(C(F)(F)F)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMFUQAVMFHEJFO-CYBMUJFWSA-N", "SMILES:C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQWIWGLWAXAFA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cc2cn(C)c3ccccc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZOCUYKWYVYJRM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cc2cn(CC(=O)O)c3ccccc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOJJCHPRCZHCK-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)Cc1nn(CC(=O)O)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPZOCTCEHOHLPK-UHFFFAOYSA-N", "SMILES:CCOc1cc2nn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)cc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCBKYZIVRCZIQF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)O)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPUPZWANCHOCX-UHFFFAOYSA-N", "SMILES:N#CC1CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)C(C2CC2)C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSKGPUBVVRXGL-FZKQIMNGSA-N", "SMILES:O=C1C[C@@H](c2ncco2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H](C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSKGPUBVVRXGL-UGSOOPFHSA-N", "SMILES:O=C1C[C@H](c2ncco2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@H](C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSKGPUBVVRXGL-SCLBCKFNSA-N", "SMILES:O=C1C[C@H](c2ncco2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H](C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSKGPUBVVRXGL-ACJLOTCBSA-N", "SMILES:O=C1C[C@@H](c2ncco2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@H](C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPUPZWANCHOCX-APPDUMDISA-N", "SMILES:N#C[C@@H]1CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@@H](C2CC2)C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPUPZWANCHOCX-DIFFPNOSSA-N", "SMILES:N#C[C@H]1CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@H](C2CC2)C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPUPZWANCHOCX-PIGZYNQJSA-N", "SMILES:N#C[C@H]1CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@@H](C2CC2)C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPUPZWANCHOCX-GTNSWQLSSA-N", "SMILES:N#C[C@@H]1CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@H](C2CC2)C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEQMPLGYCXMOS-GOEBONIOSA-N", "SMILES:C[C@H]1Cn2ncc(N3C[C@H](c4ccccc4)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEQMPLGYCXMOS-HOCLYGCPSA-N", "SMILES:C[C@H]1Cn2ncc(N3C[C@@H](c4ccccc4)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSKGPUBVVRXGL-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ncco2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEQMPLGYCXMOS-LBAUFKAWSA-N", "SMILES:C[C@H]1Cn2ncc(N3CC(c4ccccc4)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMUJRWCEFSNMM-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2N(c2cccc(C(F)(F)F)c2)C2c3[nH]c4ccccc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRUQUVUUKOFCOH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2N(c2ccc(F)cc2)C2c3[nH]c4ccccc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMNWHHFTHJHBSV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)C1N2c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLNDHUVKCOAFW-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1C(=O)N1CCc3c([nH]c4ccccc34)C1N2c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXDUNFLXMIDLX-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(c2cccc(F)c2)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJGCNEVHVPKNSC-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(C)cc34)C1N2c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBCYMAUFBIUQBL-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(C)ccc2N(c2cccc(F)c2)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAEKZDVOGRCTQW-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(Cl)cc34)C1N2c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACQVYHSWYYIBOX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cnn(CC)c3)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMCKPMWBJESJY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cnn(C)c3)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFBSMPPRGUGBQY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)nc3C)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYAPVAELRSSDV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBPKJUHDYXNMP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)CC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQIJMTSZDSRYIF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEBIQVPRYPGCDP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMZNIYGFXXPROV-YRNVUSSQSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)/C=C/C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJQMWVGCPIKBN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQAIVUQKMMBDV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)C#CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHOQUNYTDVRQHT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBNJYWNAFUZIRV-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCN(C)c1cc(OC)c(Nc2nccc(Nc3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUIFNRSXNCVOU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLPOFNLJZZVAX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)CC(=C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZGGDCZHEKHFRZ-UHFFFAOYSA-N", "SMILES:C=CCCN(C)CCN(C)c1cc(OC)c(Nc2nccc(Nc3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDUXVEZAWDQWNK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)CC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOWIWPGWAPOBJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWZFRGUEGWIAQH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)CC(=C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFKCLMDEPDCIBC-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCN(C)c1cc(OC)c(Nc2nccc(Nc3ccn(C)n3)n2)cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCGNZIPCOFTVLE-UHFFFAOYSA-N", "SMILES:C=CCC(=O)N(C)CCN(C)c1cc(OC)c(Nc2nccc(Nc3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKWUBSRHDSQYQT-UHFFFAOYSA-N", "SMILES:C=CCCN(C)CCN(C)c1cc(OC)c(Nc2nccc(Nc3ccn(C)n3)n2)cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBXBKBULHNSKQS-UHFFFAOYSA-N", "SMILES:COCCN(CCOC)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUFOKEKRNQSOSS-UHFFFAOYSA-N", "SMILES:OCCN(CCO)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGBPVMMFHBOWQT-UHFFFAOYSA-N", "SMILES:FC(F)c1nc2ccccc2n1-c1nc(N2CCNCC2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFTQLFMYQDWTPI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLXWNZGRYHHFCR-UHFFFAOYSA-N", "SMILES:OCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAPPIXLSHDYSCY-UHFFFAOYSA-N", "SMILES:O=C(NOCCOCCOCCOCCN(CCO)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEYIHWDGZYQDAJ-UHFFFAOYSA-N", "SMILES:O=C(NOCCOCCOCCOCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXQKJIKLTYEMA-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)CCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBFHFSQZZHQPIM-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBUJXSQNOORSEW-UHFFFAOYSA-N", "SMILES:NOCCOCCOCCOCCN(CCO)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVPUJRXUHDWHM-UHFFFAOYSA-N", "SMILES:NOCCOCCOCCOCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGDICWSMXXAKY-UHFFFAOYSA-N", "SMILES:CNCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUNQWRJOLMIGW-UHFFFAOYSA-N", "SMILES:NCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTTGBWQUOGWGMZ-UHFFFAOYSA-N", "SMILES:COCCN(CCO)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPXUFRGMPIQLIV-UHFFFAOYSA-N", "SMILES:CNC(=O)CCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPALXKOTYONGSD-UHFFFAOYSA-N", "SMILES:O=C(O)CCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTSXSUVIZMYWTK-UHFFFAOYSA-N", "SMILES:CNCCN(CCO)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQAZGSHVSAGDOJ-UHFFFAOYSA-N", "SMILES:O=C(NOCCO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEHGJWTYVZHIH-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCN(c2ccc(S(=O)(=O)Oc3cc(Cl)cc(Cl)c3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJDXDDNVZNFOK-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCN(c2ccc(S(=O)(=O)Oc3cc(Br)cc(Br)c3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHUMKRAZRUUCH-UHFFFAOYSA-N", "SMILES:COc1cc(OS(=O)(=O)c2ccc(N3CCN(CC(C)C)C3=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLFYUCWSTUKRW-UHFFFAOYSA-N", "SMILES:COc1cc(OS(=O)(=O)c2ccc(N3CCN(C(C)C)C3=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKCXOIMKALRMHH-UHFFFAOYSA-N", "SMILES:CCC(C)N1CCN(c2ccc(S(=O)(=O)Oc3cc(OC)c(OC)c(OC)c3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSBYUFDCGZIMR-NGJCXOISSA-N", "SMILES:O=C(N[C@H](CO)C(=O)O)[C@@H]1C[C@@H](O)CN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5094646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSBYUFDCGZIMR-JKUQZMGJSA-N", "SMILES:O=C(O)[C@H](CO)NC(=O)[C@H]1C[C@H](O)CN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5071221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSBYUFDCGZIMR-ZLUOBGJFSA-N", "SMILES:O=C(O)[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5091079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSBYUFDCGZIMR-KVQBGUIXSA-N", "SMILES:O=C(O)[C@@H](CO)NC(=O)[C@H]1C[C@H](O)CN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5081148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHNORYGWPYCAK-ROIDTVJZSA-N", "SMILES:C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)[C@H](O)CCC(C)C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHNORYGWPYCAK-NIRSYVJSSA-N", "SMILES:C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)[C@@H](O)CCC(C)C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLCEMXSNQNVPU-FKEYCNNUSA-N", "SMILES:C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLCEMXSNQNVPU-DJALMNHZSA-N", "SMILES:C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)[C@@H](O)CCC(C)(C)O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXVLBJMDGNVORY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(N3CCN(C4CCCC4)C3=O)nc2)cc1N1CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFPFOGNSMGTZRW-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRSWHQLXMLTGD-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYVGHQPVXQPGBM-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(C(=O)Nn2c(C)nnc2S)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUWWSBYWZJNGK-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMHKPZZZVAIOGY-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTFKQFREPDUXHK-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXHFAANVWSIZAL-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBIWGHBJXDMJBJ-ZCNNSNEGSA-N", "SMILES:CN1CCC[C@H]1COc1nc(N2C[C@H]3CC[C@@H](C2)N3)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYJMARHSXWNYIZ-IBGZPJMESA-N", "SMILES:CN1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c(F)c(-c4cc(O)cc5ccccc45)ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDHMHJZUKCQFSN-SFHVURJKSA-N", "SMILES:CN1CCC[C@H]1COc1nc(N2CCOCC2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKMGAJNNGSJEEA-SFHVURJKSA-N", "SMILES:CN1CCC[C@H]1COc1nc(N2CCNCC2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCYBVVNGDKJJAX-UHFFFAOYSA-N", "SMILES:CN(C)C1CN(c2nc(N3CC4CCC(C3)N4)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDCEYKQKRSCLT-KDURUIRLSA-N", "SMILES:Cn1ccnc1CCOc1nc(N2C[C@H]3CC[C@@H](C2)N3)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUSFGODZLOBKA-IIZPIQPGSA-N", "SMILES:Oc1cc(-c2ncc3c(N4C[C@H]5CC[C@@H](C4)N5)nc(OCCN4C[C@@H]5C[C@H]4CO5)nc3c2F)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQAQCUBXVDHROC-OYRHEFFESA-N", "SMILES:Oc1cc(-c2ncc3c(N4C[C@H]5CC[C@@H](C4)N5)nc(OCC45CCCN4CCC5)nc3c2F)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXLXXBNGGWBUJO-UHFFFAOYSA-N", "SMILES:Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCCN4CCC5)nc3c2F)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWPFUDCDOHRDC-CNCWQBBASA-N", "SMILES:Oc1cc(-c2ncc3c(N4C[C@H]5CC[C@@H](C4)N5)nc(OC[C@]45CCCN4C[C@@H](F)C5)nc3c2F)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWPFUDCDOHRDC-NSLMUOPJSA-N", "SMILES:Oc1cc(-c2ncc3c(N4C[C@H]5CC[C@@H](C4)N5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKKZANCCQJMMD-OYRHEFFESA-N", "SMILES:Fc1c(-c2cccc3cccc(F)c23)ncc2c(N3C[C@H]4CC[C@@H](C3)N4)nc(OCC34CCCN3CCC4)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKQXUSMRNQDHM-OYRHEFFESA-N", "SMILES:Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3C[C@H]4CC[C@@H](C3)N4)nc(OCC34CCCN3CCC4)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVILNMLIZTTSD-ZRZAMGCNSA-N", "SMILES:Cc1cccc2cccc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMGEKOCFLHABC-PSWAGMNNSA-N", "SMILES:CCc1cccc2cccc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSDRKOOUUZYYPU-SZPZYZBQSA-N", "SMILES:COc1cccc2cccc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCLKNFZNEWVYNN-PSWAGMNNSA-N", "SMILES:C#Cc1cccc2cccc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFKTTXMDCFWQV-SZPZYZBQSA-N", "SMILES:Fc1ccc2cccc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFBBMKGWRICFR-BGYRXZFFSA-N", "SMILES:Fc1ccc2cccc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTNYCXFMFVBHIY-SZPZYZBQSA-N", "SMILES:C#Cc1c(F)ccc2cccc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVDARLQVJBVTRW-BGYRXZFFSA-N", "SMILES:Oc1cc(-c2ncc3c(N4C[C@H]5CC[C@@H](C4)N5)nc(OCC45CCCN4CCC5)nc3c2F)c2c(Cl)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYPNKVDMZEUOJ-ZRZAMGCNSA-N", "SMILES:C#Cc1cccc2cc(O)cc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLLZBIBSFTLIN-INOGPEIASA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHHJNWWJDYSSRK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGOBQJRFKGTTRT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RENGKIUAKCVHSE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYUDKJSLNAZBNA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTKYZPVQMIYND-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXLTYAJJHQZIRQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPEUTPBFTONGJT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEATDKYRXVLKS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIAVKVHNMVRCY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRIFHMVCJJFME-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUAKBKLRWZWJO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XESDYSFEWULBLF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDUIGRFXWUQQGW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVUTWGFUKDIVND-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2C(=O)C(=O)c3cc(S(N)(=O)=O)ccc32)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYSSVQZTNMZMJM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORLMFHIOLHBMN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPUUKSCVVKNKJR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cc(C(F)(F)F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDWTEWVNFTBCP-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2C(=O)C(=O)c3cc(S(N)(=O)=O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SADIPNOMOKUZIU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGPALQOTAXAEA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKKMNPMGCPQHK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDWIPZFXMSDKLC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL543821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSHEPYQEOVTPR-UHFFFAOYSA-N", "SMILES:CC1CCN(CCOc2ccc(Cl)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL542873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJBGOPXYQIQSY-BTQNPOSSSA-N", "SMILES:CC1CCN([C@H](C)COc2ccc(Cl)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJBGOPXYQIQSY-ZOWNYOTGSA-N", "SMILES:CC1CCN([C@@H](C)COc2ccc(Cl)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWLJRBBGRFBCSP-UTONKHPSSA-N", "SMILES:C[C@@H]1CCCCN1CCOc1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWLJRBBGRFBCSP-YDALLXLXSA-N", "SMILES:C[C@H]1CCCCN1CCOc1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENSBJNISNLIDX-KAECKJJSSA-N", "SMILES:C[C@@H]1CCC[C@H](C)N1CCCOc1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXVTIXNPLMZHU-OEEJBDNKSA-N", "SMILES:C[C@@H]1CCC[C@H](C)N1CCOc1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPCREAVSOLBYLM-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCN2CCC(C)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWSHKNNERDNJS-PFEQFJNWSA-N", "SMILES:COc1ccc(OC[C@@H](C)N2CCC(C)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWSHKNNERDNJS-UQKRIMTDSA-N", "SMILES:COc1ccc(OC[C@H](C)N2CCC(C)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCAHELGPUURFTR-BTQNPOSSSA-N", "SMILES:COc1ccc(OCCN2CCCC[C@H]2C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCAHELGPUURFTR-ZOWNYOTGSA-N", "SMILES:COc1ccc(OCCN2CCCC[C@@H]2C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIBPKOZMQCEZOA-KBGJBQQCSA-N", "SMILES:COc1ccc(OCCCN2[C@H](C)CCC[C@@H]2C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEJANDJMCBZKHC-KAECKJJSSA-N", "SMILES:COc1ccc(OCCN2[C@H](C)CCC[C@@H]2C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUIZGSQOSXRET-UHFFFAOYSA-N", "SMILES:CC1(C)CCCC(C)(C)N1CCOc1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDDXKHZOQWUDU-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCN2C(C)(C)CCCC2(C)C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGYJOVAHWYDTO-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)OC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAESUMXHPCHJKQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccccc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDRJSDXCOYHQJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CC(CC4CCN(Cc6ccccc6)CC4)C5=O)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMNLZJCWNYAWCT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)C(=O)C(CC4CCN(Cc6ccccc6)CC4)C5)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTNULHHPYTZHP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4cccc5c4C(=O)C(CC4CCN(Cc6ccccc6)CC4)C5)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCLCSAXSXEBAP-PPOKSSTKSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)C/C(=C\\C4CCN(Cc6ccccc6)CC4)C5=O)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWIGRIXJBNFGX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4cccc(C(=O)CCC5CCN(Cc6ccccc6)CC5)c4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOZTXBNXXQOHSL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccccc4C(=O)CCC4CCN(Cc5ccccc5)CC4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUPTFPGPNPFKY-UHFFFAOYSA-N", "SMILES:O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPBDNTAOIMALLE-UHFFFAOYSA-N", "SMILES:O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZXHDQJXNLMQA-UHFFFAOYSA-N", "SMILES:O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCN(CCCCc3c[nH]c4ccc(Cl)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNPWOYOYCFQFX-UHFFFAOYSA-N", "SMILES:O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCN(CCCCc3c[nH]c4ccc(Br)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVSUZGCOSBSLP-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccccc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIUXWAMRUTVKNV-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccccc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNUYVYYTCAHCP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccccc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMPRFFQYOJCXIO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccccc6)CC5)cc4)CC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARRNKUHWBQIICE-UHFFFAOYSA-N", "SMILES:O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCN(CCCCc3c[nH]c4cc(Cl)c(Cl)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZXZHTHCUKKYDZ-UHFFFAOYSA-N", "SMILES:CCN1CCC(CCC(=O)c2ccc(N3CCN(CCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBPWCGWXVRXHC-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(CCC(=O)c2ccc(N3CCN(CCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYJNSRBXJSNHA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(CC6CC6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPIWAIWXHCPSLA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(CC6CCC6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRXWADNIFJJPL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(CC6CCCC6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJHZQAFBFGPSM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(CC6CCCCC6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKQEIXRJCOJFR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccoc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNOGSKQJMUOAC-UHFFFAOYSA-N", "SMILES:C=CCN1CCC(CCC(=O)c2ccc(N3CCN(CCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJOYNUWZWLPODQ-UHFFFAOYSA-N", "SMILES:C#CCN1CCC(CCC(=O)c2ccc(N3CCN(CCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTBDCCSIYWITRP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccccc6F)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYZOYMPAEFAHEV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cccc(F)c6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQEXEVZXOIIKPW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccc(F)cc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANNJRIDPXNQMG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cccc(Cl)c6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRSHIFKJSQKKJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cccc(Br)c6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMCSEHJSXYYCCE-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCC(CCC(=O)c3ccc(N4CCN(CCCCc5c[nH]c6ccc(C#N)cc56)CC4)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMOXYKMADBOSRC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cccc(C(F)(F)F)c6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKJHMRTGFNKIL-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(CCC(=O)c3ccc(N4CCN(CCCCc5c[nH]c6ccc(C#N)cc56)CC4)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIIEAHVFXVYNQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cccnc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJSLNYNYGJRYEB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccsc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCGBMMDCPCVDE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cc[nH]c6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXMLCBRBJTWJB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CN3CCN(c4ccc5c(c4)CC(CC4CCN(Cc6ccccc6)CC4)C5=O)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUHQCVJVHIHCA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc5c(c4)CC(CC4CCN(Cc6ccccc6)CC4)C5=O)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTIKMWHTDZQOG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(C4=CC5CC(CC6CCN(Cc7ccccc7)CC6)C(=O)C5C=C4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOYLLZSBNOOOC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccccc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWVMUBXMAXBGMQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccccc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTTQKNYYZLZSGX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccccc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXGNGPKRODBIHN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccoc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFDUUOOSOBWPL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccoc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQVEZZNTMRZAV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccoc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABQFUFPOOPQTI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cccnc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPMMDWKICAXXHN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cccnc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZDZFKPGNSHRDH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cccnc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJBCVCPNYGJCHV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccsc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNEKKMMAURRZKW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccsc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTULGPVETKENAF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6ccsc6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDFOAAQINHNAR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cc[nH]c6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDZPTRIBPZMLHA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cc[nH]c6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXJYGZVLMGHLF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(C(=O)CCC5CCN(Cc6cc[nH]c6)CC5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL542933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHMWGICKYTGSY-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMZXPVWZSUCWOA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(O)cc2)cc2cnc(N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMEBPFHEUOFDJD-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cc(OC)c3nc(N)ncc3c2)ccc(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFKROQGJBISIGH-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(OC)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPMHEFIOGIAGK-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(NC2CCN(C(C)=O)CC2)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWXNEJSUEHLTNE-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(NCCO)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJRNQUKDNTVAI-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N(C)CCO)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCSAZJFGJBQME-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(NCCCO)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICCUQPKNWSBNT-JTQLQIEISA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICCUQPKNWSBNT-SNVBAGLBSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N[C@H](C)CO)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQLMZZERLCNFU-JTQLQIEISA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(NC[C@H](C)O)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQLMZZERLCNFU-SNVBAGLBSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(NC[C@@H](C)O)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGLRKHUXRLUBD-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(NC(CO)CO)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYMDXRUKEZEIRT-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(NCCNC)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBPOYIQCXNWQH-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(NC2CCN(C)CC2)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZYDUAVAMKYBJL-UHFFFAOYSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(NCC2CCN(C)CC2)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTNXVVHACPIWSH-MRXNPFEDSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N[C@@H]2CCCN(C)C2)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTNXVVHACPIWSH-INIZCTEOSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N[C@H]2CCCN(C)C2)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSFLRHKSBTYIX-FVQHAEBGSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N[C@H]2C[C@H]3CC[C@@H](C2)N3)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSFLRHKSBTYIX-BJWYYQGGSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)N3)c2nc(N)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUZCJHXYOESCD-HNNXBMFYSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCCN(C)C)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXYVYULKAZLNBS-INIZCTEOSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCOCCN(C)C)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUZGLJHOFPPBEF-KRWDZBQOSA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCCCCN(C)C)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFKXOKSGISVTI-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCBMMKCQYHWNK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(Oc2cccc3cnc(Nc4cnn(C)c4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMCYTQGIPVWTRJ-UHFFFAOYSA-N", "SMILES:COc1cccc2cnc(Nc3cnn(C)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDXDEXBADKXIMV-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2ncc3cccc(CC4CCNCC4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWFMMCFOXZUIX-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(Cc2cccc3cnc(Nc4cnn(C)c4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNLXXVIZURMKY-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2ncc3cccc(NC4CCNCC4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYAXOPAVZLMPET-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(Nc2cccc3cnc(Nc4cnn(C)c4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNVJDFYURAVLOR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(O)cc2)cc2cnc(Nc3cnn(C)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTIMVOEBJJVFP-VIFPVBQESA-N", "SMILES:CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2[nH]c(N)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXDAPPRHFFSMC-UHFFFAOYSA-N", "SMILES:O=C(NCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1=Cc2ccccc2S1(=O)=O"]}
{"name": "Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL1795098"], "id": "UniProtKB:Q9GZU7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPUDGGJTBQLWBO-UHFFFAOYSA-N", "SMILES:O=C(C1=CC2=C(CCC2)S1(=O)=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOPHIWMZIIGDGK-UHFFFAOYSA-N", "SMILES:O=C(NCCOCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1=Cc2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCCVZHHPZSNLU-UHFFFAOYSA-N", "SMILES:O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQGGYNRNJTVTN-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NCc2cccnc2)nc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZIOKLXQPNWCJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1cnc(NCc2cccnc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUFWCLLJSUHQDF-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)c2cnc(NCc3cccnc3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWNZBAASKKTHKD-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)c2cnc(NCc3cccnc3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRPAGROPHFVERB-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)c2cnc(NCc3cncnc3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXWGCAHYHQFVJH-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)c2cnc(NCc3ccccc3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKMZYUDLRSXLF-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)c2cnc(NC3(c4ccccc4)CC3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJUWWGHSEBTYGS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOUQAHAFVBDVGU-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTXEVWHMGPGKZ-UHFFFAOYSA-N", "SMILES:N#CC1CCCN(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTXEVWHMGPGKZ-ZDUSSCGKSA-N", "SMILES:N#C[C@@H]1CCCN(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTXEVWHMGPGKZ-CYBMUJFWSA-N", "SMILES:N#C[C@H]1CCCN(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDVVTCRXXIJNN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)C1CCCN(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDVVTCRXXIJNN-OAHLLOKOSA-N", "SMILES:CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDVVTCRXXIJNN-HNNXBMFYSA-N", "SMILES:CS(=O)(=O)[C@H]1CCCN(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWBXUGFKIKCDU-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NCc2cccnc2)nc1)N1CCC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTZZODWFCJPTF-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWXHFLVHVRXGME-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NC2(c3cncnc3)CCC2)nc1)N1CCC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMEJEQWJOOWNFC-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NC2(c3cnccn3)CCC2)nc1)N1CCC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVTYOZMCPRMUTH-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NC2(c3cncnc3)COC2)nc1)N1CCC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWCEJKZARPREP-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NC2(c3cnccn3)COC2)nc1)N1CCC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJNRTFNIQNDYTE-UHFFFAOYSA-N", "SMILES:CC(C)(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIWZWCKDKPLKAL-UHFFFAOYSA-N", "SMILES:CC(C)(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJYUFUVCGMGEN-AWEZNQCLSA-N", "SMILES:C[C@H](Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJYUFUVCGMGEN-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEQDKIIEMKNMN-AWEZNQCLSA-N", "SMILES:C[C@H](Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEQDKIIEMKNMN-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUQXQHQMGCAIZ-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NCc2cncnc2)nc1)N1CCC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJCUPNXKDDEQO-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NC2(c3cnccn3)CCC2)nc1)N1CC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZCXKUHBDUQPR-UHFFFAOYSA-N", "SMILES:CC(C)(Nc1ncc(C(=O)N2CC3(CCOCC3)C2)cn1)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEQJIUQVLMMOLR-ZDUSSCGKSA-N", "SMILES:C[C@H](Nc1ncc(C(=O)N2CC3(CCOCC3)C2)cn1)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARJYXPVXVWLEU-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(NCc2cnccn2)nc1)N1CC2(CCOCC2)C1"]}
{"name": "Biotinidase", "xref": ["CHEMBL.TARGET:CHEMBL4802066"], "id": "UniProtKB:P43251", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXZHIQVJAQRGY-XMMPIXPASA-N", "SMILES:NC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXZHIQVJAQRGY-DEOSSOPVSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDUEIKITHMNSU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCC2C(=O)O)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJJHXZREQWBIF-VWLOTQADSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDQVRBTEKHDMN-TUSQITKMSA-N", "SMILES:NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXZHIQVJAQRGY-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQSMNZRJWXVNH-RPBOFIJWSA-N", "SMILES:COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFZKUBWJMBTHB-FTJBHMTQSA-N", "SMILES:CN(C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFZKUBWJMBTHB-UIOOFZCWSA-N", "SMILES:CN(C)[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILBAKYEAUUWIF-CGAIIQECSA-N", "SMILES:NC(=O)[C@@H]1CC(O)CN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMHNPQBHRSGIGZ-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBSJBEZUWZZXIZ-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMSOYXYBLZNHIF-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDLLWUKMJOVAK-GOSISDBHSA-N", "SMILES:C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEUEHDGAWVPSS-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4cc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJFGLKBIIUMIB-SANMLTNESA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJFGLKBIIUMIB-AREMUKBSSA-N", "SMILES:NC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKNHLWQMXOOWNO-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDSGZHKCQBRAEY-NLFFAJNJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)N4CCC[C@H]4C(N)=O)cc3)cc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNHZNUDWLUQQC-NRFANRHFSA-N", "SMILES:C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3)cc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXYZMNDIFPRCF-OALUTQOASA-N", "SMILES:C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOC[C@@H]4C)n3)cc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCEYPHCMQLDVQF-VMPREFPWSA-N", "SMILES:CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5C[C@@H]6OCCO[C@H]6C5)n4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQFTVSCKLJYHMJ-GSDHBNRESA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4C[C@@H]5OCCO[C@H]5C4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJLZNYSRNDYMAI-MBSDFSHPSA-N", "SMILES:C[C@H]1COCCN1c1ccnc(-c2ccc(NC(=O)Nc3ccc(C(=O)N4CCC[C@H]4C(N)=O)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVUFMEHLPKPZNR-NRFANRHFSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)c1cnc(Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFLGRXUIDZVHMZ-INIZCTEOSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(-c2nccc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMOZIGVHPNPVGU-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C1=NNC(c2ccc(Cl)cc2)C1"], "chembl_natural_product": true}
{"name": "Salicyl-AMP ligase / salicyl-S-ArCP synthetase", "xref": ["CHEMBL.TARGET:CHEMBL5662"], "id": "UniProtKB:P71716", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSOKDMOVPQBQS-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C1=NNC(c2ccc(Br)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAEFRYMHQFWPSE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CSc2nc(Nc3cc[nH]n3)c3cccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXMDCMWIXPCVSW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nn3cccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPXVLMFYCEEBU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(Nc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nn3cccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHJZWIJTIDFGM-UHFFFAOYSA-N", "SMILES:Cc1cccnc1Nc1nc(SCc2ccc(C(=O)Nc3ccccc3N)cc2)nn2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYEVRSQASWQZFH-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(Nc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nn3cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLJCHASPXRHNQ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CSc2nc(NC3CCNCC3)c3cccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOTVHOSEVBCCCT-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CSc2nc(N3CCOCC3)c3cccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADDRZHKVFIVRE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CSc2nc(NCc3ccc(C(F)(F)F)cc3)c3cccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKAGUYJCGKHORB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CSc2nc(NCc3ccc(F)cc3)c3cccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUYXHMHOCHYLSW-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nn3cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNKYZJDJXHWFGE-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nn3cccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFWQHKMMOPESFD-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nn3cccc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXVJZAAZNYWZAA-UHFFFAOYSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CSc2nc(Nc3cc[nH]n3)c3cccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJQLBLNLGDLIU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(SCc3ccc(C(=O)Nc4ccc(F)cc4N)cc3)nn3cccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZHMSLQLNHOPND-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(Nc2nc(SCc3ccc(C(=O)Nc4ccc(F)cc4N)cc3)nn3cccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLGVQAUPRYTLHM-UHFFFAOYSA-N", "SMILES:Cc1cccnc1Nc1nc(SCc2ccc(C(=O)Nc3ccc(F)cc3N)cc2)nn2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJTBGUDOQAOZIP-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(Nc2nc(SCc3ccc(C(=O)Nc4ccc(F)cc4N)cc3)nn3cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUPMEIHLWXXDX-UHFFFAOYSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CSc2nc(NC3CCNCC3)c3cccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQOQSZGWVFDPIS-UHFFFAOYSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CSc2nc(N3CCOCC3)c3cccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHXFPFILJOIWSE-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(SCc3ccc(C(=O)Nc4ccc(F)cc4N)cc3)nn3cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGROKNMQSZHVLB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(SCc3ccc(C(=O)Nc4ccc(F)cc4N)cc3)nn3cccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQAVYPSHLPBIAS-ZDUSSCGKSA-N", "SMILES:C[C@H]1c2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2N(Cc2c(F)cccc2Cl)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJJFUQKKZFVLH-GWVAEIQVSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(S)O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)(S)O[C@H]2[C@H]1O)O[C@@H]3n1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCAZIVXUUTADS-OWOJBTEDSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)c(-c3cc(/C=C/c4cc(O)cc(O)c4)ccc3O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMVHVUPCTYVQC-OWOJBTEDSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)cc2)oc2c(-c3cc(/C=C/c4cc(O)cc(O)c4)ccc3O)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIESUSPYDJKREF-XVLCALJBSA-N", "SMILES:O=C1c2c(cc(O)c(-c3cc(/C=C/c4cc(O)cc(O)c4)ccc3O)c2O)O[C@H](c2ccc(O)c(O)c2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZRSDZTYGODIQ-LPGNHZEISA-N", "SMILES:O=C1c2c(O)cc(O)c(-c3cc(/C=C/c4cc(O)cc(O)c4)ccc3O)c2O[C@H](c2ccc(O)cc2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSOZTXUZDIIIKW-OWOJBTEDSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(-c3cc(/C=C/c4cc(O)cc(O)c4)ccc3O)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSGBTNLDNVZJQT-UHFFFAOYSA-N", "SMILES:NCc1n[nH]c(=O)c2ccc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXPGXIFWDSNSZ-UHFFFAOYSA-N", "SMILES:NCc1n[nH]c(=O)c2ccc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARCEYDSRGYOIS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3c(=O)[nH]nc(CN)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMCPTHXQJRIIJO-UHFFFAOYSA-N", "SMILES:NCc1n[nH]c(=O)c2ccc(-c3cnsc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBGJBRWZTUAPA-UHFFFAOYSA-N", "SMILES:NCc1n[nH]c(=O)c2ccc(-c3cncs3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUDGQDMMFLDCAM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(=O)[nH]nc(CN)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZSWWKCRBNLVKS-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(=O)[nH]nc(CN)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIRHAFQRKGTUSH-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc3c(=O)[nH]nc(CN)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBBZLJWKQADHF-UHFFFAOYSA-N", "SMILES:CCCn1cc(-c2ccc3c(=O)[nH]nc(CN)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUQIYJXZVAOOGF-UHFFFAOYSA-N", "SMILES:NCc1n[nH]c(=O)c2ccc(-c3cnn(CCO)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZLWNTDFFZBDCR-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3c(=O)[nH]nc(CN)c3c2)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMYTIBHGICAAC-UHFFFAOYSA-N", "SMILES:NCc1nnc(O)c2ccc(-c3ccccn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCALHEYWVDHKAT-UHFFFAOYSA-N", "SMILES:NCc1n[nH]c(=O)c2ccc(-c3cccnn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLKSORSINFXCU-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTJDOUSNRGOFM-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJJGGPWWQFRHU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2c(-c3ccc4c(=O)[nH]nc(CN)c4c3)cnn2C)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUMAGWYIIMCIQ-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1cccc(Cl)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQQDTPXSJNQCO-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2c(-c3ccc4c(=O)[nH]nc(CN)c4c3)cnn2C)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTARMSLOBXCAC-UHFFFAOYSA-N", "SMILES:CCc1cccc(-c2c(-c3ccc4c(=O)[nH]nc(CN)c4c3)cnn2C)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURTURAULAGILZ-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1cccc(OC2CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAACRSYZQFEIAT-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1c(F)cccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNMMZTWHDXVNBY-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1cc(Cl)cc(OC2CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXAVSHRHTHQMAH-UHFFFAOYSA-N", "SMILES:Cc1cc(OC2CC2)c(C#N)c(-c2c(-c3ccc4c(=O)[nH]nc(CN)c4c3)cnn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDLTEJUJAIWHQ-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1c(F)ccc(OC2CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTVDEXBMMNFAQ-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1c(Cl)ccc(OC2CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZKIOORWZAXIBA-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWWHUGCYBIFCE-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1cc2ccccc2cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKVZAJFLCDWPU-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1ccc2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTXSYQRBOBLFV-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1sc2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTYWAYMKBEXES-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1c(F)cc2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCORFYODLSYUNB-UHFFFAOYSA-N", "SMILES:NCc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNNLIKSDUSVRR-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(Nc1nc(-c2ccccc2)nc2sccc12)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQFCQDRBVCSYKL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXLSQSTCCQBET-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWOFSMXQFDBWCC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPKJMIEGOIFBD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYAUALUCDPPBY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCJSMMXETIBJPN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1)c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBSGYPCHLEGLU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHHDMEKBIDBGPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULFKXIDSFBTSX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYQUUJZSZVRUJN-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCWUNNRZHETLS-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPGKNIAVLZFAV-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNSMHVGMXQWMGI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZFVWRKYSFEGP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILVHCVVAHRJFCP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTYTJHZUVWPPX-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccnc1)Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUUDHLALQIKIJ-KRWDZBQOSA-N", "SMILES:CO[C@H](C(=O)Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUUDHLALQIKIJ-QGZVFWFLSA-N", "SMILES:CO[C@@H](C(=O)Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONBNLRXQLLRTE-IBGZPJMESA-N", "SMILES:CC(C)O[C@H](C(=O)Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONBNLRXQLLRTE-LJQANCHMSA-N", "SMILES:CC(C)O[C@@H](C(=O)Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOENAZLLPOCDBA-FQEVSTJZSA-N", "SMILES:COc1ccc([C@H](OC(C)C)C(=O)Nc2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOENAZLLPOCDBA-HXUWFJFHSA-N", "SMILES:COc1ccc([C@@H](OC(C)C)C(=O)Nc2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXNASZAYANFLID-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(O)(Cc1ccccn1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTOAKVOIEPECCO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(CC(=O)Nc4ccc(C(C)C)cc4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDBYMVVKYRHKMX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(CC(=O)Nc4ccc(F)cc4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJOKMKBZEMLHIM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(CC(=O)Nc4cccc(F)c4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUCBHDPFPFCLN-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)n[nH]3)nc(Nc3ccc(CC(=O)NCc4cccc(F)c4)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIGMVBYRWDDFTO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCOCC3)nc(Nc3ccc(CC(=O)Nc4ccc(C(C)C)cc4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWIDOBFISHYDL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCOCC3)nc(Nc3ccc(CC(=O)Nc4ccc(C(C)(C)C)cc4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUMSQNWNSSISFC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCOCC3)nc(Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)nn4C)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUTQAGPRSJHPBK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(C)c3)nc(Nc3ccc(CC(=O)Nc4ccccc4F)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUXKUKAJNLBSKU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(C)c3)nc(Nc3ccc(CC(=O)Nc4ccc(C(C)C)cc4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTAWIKHUQRRKY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(C)c3)nc(Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)nn4C)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCGQLGQDLQSKO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(CCN4CCOCC4)c3)nc(Nc3ccc(CC(=O)Nc4cccc(F)c4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSITWMHEQJLYGY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(CCN4CCOCC4)c3)nc(Nc3ccc(CC(=O)Nc4ccc(C(C)C)cc4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLOBGRWHOOBIA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(CCN4CCOCC4)c3)nc(Nc3ccc(CC(=O)Nc4ccc(C)c(F)c4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQCNNMLWZWPCE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(CCN4CCOCC4)c3)nc(Nc3ccc(CC(=O)Nc4ccccc4F)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSUQBPKJYHLJM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(CCN4CCOCC4)c3)nc(Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)nn4C)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCJCKVFTUXUMC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(CCN(C)C)c3)nc(Nc3ccc(CC(=O)Nc4cccc(F)c4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQGBGQHUJGFFK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(CCN(C)C)c3)nc(Nc3ccc(CC(=O)Nc4ccc(C(C)C)cc4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTOBBGTNPDWEH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(CCN(C)C)c3)nc(Nc3ccc(CC(=O)Nc4ccccc4F)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJNSFQCRAJSSCV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(CC(=O)NC4CC4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZSRVLQHXAWQE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(CC(=O)NCc4cccc(F)c4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUKBYXMOKZZMBX-OAQYLSRUSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(CC(=O)N[C@H](C)c4ccccc4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUKBYXMOKZZMBX-NRFANRHFSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(CC(=O)N[C@@H](C)c4ccccc4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZMBAXXJQITCR-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)n[nH]3)nc(Nc3ccc(CC(=O)Nc4ccc(C(C)C)cc4)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCMKNCJHJMOPJQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(Nc3cc(C)n[nH]3)nc(Nc3ccc(CC(=O)NCc4ccc(OC)cc4)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVNIUNGHHUYZIZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(CCO)CC3)nc(Nc3ccc(CC(=O)NC4CC4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDPHUPZZIHXFMH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(CCO)CC3)nc(Nc3ccc(CC(=O)NCc4cccc(F)c4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDMNASVPMILEW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(CCN4CCOCC4)CC3)nc(Nc3ccc(CC(=O)NC4CC4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMMHWKHENABMY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(CCN4CCOCC4)CC3)nc(Nc3ccc(CC(=O)Nc4ccc(C(C)C)cc4)cc3)n2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLRYJNAMATEMF-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C5CC5)n[nH]4)cc(N4CCN(C)CC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNQLAFRTNANORB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(Nc3cc(C4CC4)n[nH]3)nc(Nc3ccc(CC(=O)NC4CC4)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNHKROVHVUXIGY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(Nc3cc(C4CC4)n[nH]3)nc(Nc3ccc(CC(=O)NCc4cccc(F)c4)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYBJADXNBDBUMM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C(C)(C)C)n[nH]4)cc(N4CCN(C)CC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBHLVKCNNGYBS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(Nc3cc(C(C)(C)C)n[nH]3)nc(Nc3ccc(CC(=O)NC4CC4)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRJAODNHPAHDC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(Nc3cc(C(C)(C)C)n[nH]3)nc(Nc3ccc(CC(=O)NCc4cccc(F)c4)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCNIKZOPYKSRX-UHFFFAOYSA-N", "SMILES:C/C(N)=N\\C(=N\\S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYDDJAYVZLVFN-UHFFFAOYSA-N", "SMILES:CS/C(N)=N\\C(=N\\S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQNAMZYKWUBHY-UHFFFAOYSA-N", "SMILES:CC(C)(C)/C(N)=N\\C(=N\\S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVSCELSGVFIXSR-UHFFFAOYSA-N", "SMILES:N/C(=N/C(=N/S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVSLPJGDPHDNB-UHFFFAOYSA-N", "SMILES:N/C(=N/C(=N/S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDXIPFCFKFDFV-UHFFFAOYSA-N", "SMILES:C/C(N)=N\\C(=N\\S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIFEBVPOYDGEO-UHFFFAOYSA-N", "SMILES:CS/C(N)=N\\C(=N\\S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQIPIDOGKWDPFV-UHFFFAOYSA-N", "SMILES:CC(C)(C)/C(N)=N/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCVQWTMTEZUFCQ-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKINZDOUKCFBKM-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRUOVZILIUOLZ-UHFFFAOYSA-N", "SMILES:C/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGASMXMRZMEMN-UHFFFAOYSA-N", "SMILES:CS/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRYVYJBYWHJEKD-UHFFFAOYSA-N", "SMILES:CC(C)(C)/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMGRXWQMDYXLFY-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRNYIQOWFBVSK-UHFFFAOYSA-N", "SMILES:C/C(N)=N/C(=N/S(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBIFOSYRVSJLF-UHFFFAOYSA-N", "SMILES:CS/C(N)=N/C(=N/S(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKZCOQNBWPXDGN-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFINZLQIZIOBLD-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRBHKAGXHAORGN-UHFFFAOYSA-N", "SMILES:C/C(N)=N/C(=N/S(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSDXWALQZSEXOQ-UHFFFAOYSA-N", "SMILES:CS/C(N)=N/C(=N/S(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPECFVRNMDHMNE-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSCCSKFFMGAJOL-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOBCRUUMMNHGQ-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)/N=C(/N=C(/C)N)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECTUDNUKAUWDL-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)/N=C(/N=C(\\N)SC)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKYBZPIZUWLTD-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)/N=C(/N=C(\\N)C(C)(C)C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDKYKPCSNXCJW-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)/N=C(/N=C(\\N)c1ccc(F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGKDPLJUXDUXSS-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)/N=C(/N=C(\\N)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCNIKZOPYKSRX-OAQYLSRUSA-N", "SMILES:C/C(N)=N\\C(=N\\S(=O)(=O)N1CCCCC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCNIKZOPYKSRX-NRFANRHFSA-N", "SMILES:C/C(N)=N\\C(=N\\S(=O)(=O)N1CCCCC1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGASMXMRZMEMN-HXUWFJFHSA-N", "SMILES:CS/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOBCRUUMMNHGQ-HXUWFJFHSA-N", "SMILES:CCN(CC)S(=O)(=O)/N=C(/N=C(/C)N)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJXGNDPBWMCNY-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNOXRJQVBSCEOQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)/C(N)=N/C(=N/S(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBZZHCSUTUENN-UHFFFAOYSA-N", "SMILES:CC(C)(C)/C(N)=N/C(=N/S(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFRMTCSQKMAMNE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMOYYRHLJSUOQD-UHFFFAOYSA-N", "SMILES:COc1cc(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBFZMYKJVWSVTO-UHFFFAOYSA-N", "SMILES:COc1cccc(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODSUTIFDWOCFCO-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMRXUCDOJIYNC-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTZCEVYUWJOAFR-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZWABVNOEPDQCX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWYWCAXDSZIEOJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGHGRDORYEWQN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCWJXKRCBZLEPZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNSSLIORWWCLI-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOHRLQKAQTCNT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPAXCRBQXCVMDW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBCXGGOPHGSSS-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQJHIXPVNVMZIZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cncn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTULZFVXGMNPDJ-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2c(n1)N(C(=O)Nc1cc(F)c(C#Cc3ccccn3)cn1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKIEOBSFJFDJW-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDLWXLDVHDDMAI-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQWJYCUSYLZSRV-UHFFFAOYSA-N", "SMILES:CC(C)CNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXGFOELAWWJSDR-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2c(n1)N(C(=O)Nc1cc(NC3CC3)c(C#Cc3ccccn3)cn1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXVXYNNPMYKHW-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2c(n1)N(C(=O)Nc1cc(NC3CCCC3)c(C#Cc3ccccn3)cn1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHSMQRJRPKBMP-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2c(n1)N(C(=O)Nc1cc(F)c(C#Cc3cccnc3)cn1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGKVIOIILGOMR-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDWQXFVMGXGNFN-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOXOFWURAFDFRN-SFHVURJKSA-N", "SMILES:COC[C@H](C)Nc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOXOFWURAFDFRN-GOSISDBHSA-N", "SMILES:COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COIQBHDDMAVQSA-UHFFFAOYSA-N", "SMILES:COc1cc(C#Cc2cnc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C=O)nc43)cc2OC(C)C)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUKMXVVRRPZLOW-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cnc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C=O)nc43)cc2OC(C)C)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCVWKEUSPWDNBC-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKXXDRNCBCZCML-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNLPWNMRUBMZBY-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESJGFOSPPNXOH-XUXNHVGISA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N2CCN(CC[C@H](NC(=O)C3(N)CCN(c4ncnc5[nH]ccc45)CC3)c3ccc(Cl)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGNFOQWXOLLQAR-JFKYFZFSSA-N", "SMILES:NC1(C(=O)N[C@@H](CCN2CCN(C(=O)CCOCCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFIABFYWYBPNIT-DCSFLTRMSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N2CCN(CC[C@H](NC(=O)C3(N)CCN(c4ncnc5[nH]ccc45)CC3)c3ccc(Cl)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQOKIZZBUCTAM-UJGAEZNTSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCC(=O)N4CCN(CC[C@H](NC(=O)C5(N)CCN(c6ncnc7[nH]ccc67)CC5)c5ccc(Cl)cc5)CC4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGFBRPBVCGVEFS-WUGFCBAUSA-N", "SMILES:CCCC[C@@H](NC(=O)CC(O)/C=C/CCSSCC/C=C/C(O)CC(=O)N[C@H](CCCC)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOFAVAKPSRMMSR-UQYBZBHTSA-N", "SMILES:CCCC[C@@H](NC(=O)CC(O)/C=C/CCSSCC/C=C/C(O)CC(=O)N[C@H](CCCC)C(=O)OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEPAEJPKONHKJ-BGPOSVGRSA-N", "SMILES:O=C(CC(O)/C=C/CCSSCC/C=C/C(O)CC(=O)Nc1ccccc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCAACOHPHTACA-MKICQXMISA-N", "SMILES:CC(C)(C)NC(=O)CC(O)/C=C/CCSSCC/C=C/C(O)CC(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQPNULSNGANTG-IJIVKGSJSA-N", "SMILES:O=C(O)CC(O)/C=C/CCSSCC/C=C/C(O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOTJPWIOCKAMRG-MKICQXMISA-N", "SMILES:CC(C)(C)OC(=O)CC(O)/C=C/CCSSCC/C=C/C(O)CC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDHHPIUUWFZPB-UHFFFAOYSA-N", "SMILES:Cl.Cn1cc(CN2CC3(CCN(c4ncc(C(=O)NO)cn4)C3)C2)c2ccc(C#N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXQHEFZTJMGFAP-QLJGRUAOSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCn2cc(CCCCCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)/C=C/CN3CCCCC3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKDRBGUUNVRHOA-KWFCUVDOSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](OC(=O)OCC3CN=C([N+](=O)[O-])N3C)CN2C(=O)[C@@H](NC(=O)COCCOCCn2cc(CCCCCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)/C=C/CN3CCCCC3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBIIZLEMNVANQ-CTNGQTDRSA-N", "SMILES:NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBIIZLEMNVANQ-FPOVZHCZSA-N", "SMILES:NCCCCN(C[C@@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SASWWPISKHTFAO-CTNGQTDRSA-N", "SMILES:NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SASWWPISKHTFAO-FPOVZHCZSA-N", "SMILES:NCCCCN(C[C@@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBMWKKIUXJSJQN-AEFFLSMTSA-N", "SMILES:CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBMWKKIUXJSJQN-WMZOPIPTSA-N", "SMILES:CN(C[C@@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXFBKUIHWNRJC-VNBKXDDUSA-N", "SMILES:NC/C=C\\CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXFBKUIHWNRJC-JBMYQSJSSA-N", "SMILES:NC/C=C/CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWTRQVADIKYVDE-NOZRDPDXSA-N", "SMILES:NCc1ccc(CN(C[C@H]2Cc3ncccc3CN2)[C@H]2CCCc3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQXFGKFHBXOZPI-CTNGQTDRSA-N", "SMILES:NC(=O)NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIGXLJRIHCPJY-VNBKXDDUSA-N", "SMILES:NC(=O)NC/C=C\\CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIGXLJRIHCPJY-JBMYQSJSSA-N", "SMILES:NC(=O)NC/C=C/CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPTZJBWZJLLMJ-GGAORHGYSA-N", "SMILES:CN(C)CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVNIZUDQMBOWDJ-NOZRDPDXSA-N", "SMILES:CCN(CC)CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHQDIVFVUGRKLD-RSXGOPAZSA-N", "SMILES:FC1(F)CCC(NCCCCN(C[C@H]2Cc3ncccc3CN2)[C@H]2CCCc3cccnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKSLFQSLKWAIH-SQHAQQRYSA-N", "SMILES:CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQLWCFKWYLMAM-SQHAQQRYSA-N", "SMILES:CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFZOYBEELAHRR-QPPBQGQZSA-N", "SMILES:c1cnc2c(c1)CN[C@@H](CN(CCCCNC1COC1)[C@H]1CCCc3cccnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STAHMXIYSLAGBJ-NOZRDPDXSA-N", "SMILES:c1cnc2c(c1)CN[C@@H](CN(CCCCN1CCOCC1)[C@H]1CCCc3cccnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOELGNYRXZQOPS-NOZRDPDXSA-N", "SMILES:c1cnc2c(c1)CN[C@@H](CN(CCCC1CCNCC1)[C@H]1CCCc3cccnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWOJVYGOJPOQL-RSXGOPAZSA-N", "SMILES:c1cnc2c(c1)CN[C@@H](CN(CCCCNC1CCOCC1)[C@H]1CCCc3cccnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUMCVQSAWPKMT-SFHVURJKSA-N", "SMILES:CCOP(=O)(Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(O[C@@H](C)COC)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUDYQMFVRHPIY-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)cn3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHZBGABHBYHHQJ-IBGZPJMESA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(O[C@@H](C)COC)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVWDHZCMNWLIMU-SFHVURJKSA-N", "SMILES:CCOP(=O)(Cn1ncc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(O[C@@H](C)COC)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFUKFIHYBUEGC-IBGZPJMESA-N", "SMILES:CCOP(=O)(Cc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(O[C@@H](C)COC)c2)cn1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIUJLWMACFCDS-WWWOGFAISA-N", "SMILES:CCO[P@](C)(=O)Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(O[C@@H](C)COC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPGVBYAUDGXTG-KRWDZBQOSA-N", "SMILES:COC[C@H](C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2ccn(CP(C)(C)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWWSLOOYSKNMT-SFHVURJKSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(O[C@@H](C)CO)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTLWJJNFELXUNX-FQEVSTJZSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(O[C@@H](CC)CO)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWZJRXIVGFARPX-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKNNOPOKYGFEEG-SFHVURJKSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(O[C@@H](C)CF)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJMSXUVFZPJEL-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(CF)CF)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJQPIXPCLPWGD-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)nc3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDJEVWUDVGMBQ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)nn3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUAEIAQXAHGBE-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3cnc(S(C)(=O)=O)nc3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLIXMJAMKJEBRI-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3cnc(S(C)(=O)=O)cn3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEHPGWPTWVVKN-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)CC)cc3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJAEWNPMXUIDG-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)C(C)C)cc3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYXUDZLRCFLSN-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)N4CCC4)cc3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPFGEPDLUGAUFH-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)nc3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBBCVFMVDQWBJP-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cn3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEDJLTFKZRNAKJ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)nc3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVEWIYHZAJIDCI-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)nn3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VERWMGZFDDCAOA-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3cnc(C(N)=O)cn3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAIFBYWHWYIIPX-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)NC)cn3)cc(OC(C)C)c2)n1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSIJWAGQDTNDW-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)cc(OC(C)C)c2)n1)OCC"]}
{"name": "Hexokinase-4", "xref": ["CHEMBL.TARGET:CHEMBL3112387"], "id": "UniProtKB:P52792", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBHXMLDVPTWSAS-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)cccc1-c1nnc(Nc2cccc(CNCCO)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUVJKPXAJVVXFT-ARLHGKGLSA-N", "SMILES:O=C(O)[C@H]1CCCCN1C(=O)C(CS)Cc1ccccc1"]}
{"name": "BlaVIM-1", "synonym": ["beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL1255155"], "id": "UniProtKB:Q8GDC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZRHFRKMXFRSE-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTWPGFIIPWCOH-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)CCS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYAJLJVYUJLPFQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1NC(=O)CCS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRVLNYHANVZVAS-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYNFENIWLXUEY-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRFKRRXVMLULKG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(NC(=O)CCS)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALGGUDKJDIAIOA-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBPAEUDVFCYFFZ-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTOTXQUSDHVOQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1NC(=O)CCS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMJQVWNXOWQSPB-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWCQRKCZDGTTE-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1cccc(S(=O)(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBIVBQSPMRLZRF-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXHFSCQWJQOSFO-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cccc(NC(=O)CCS)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLLPVQRQXNHQIA-UHFFFAOYSA-N", "SMILES:NCc1cccc(NC(=O)CCS)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDZXBQRRCDSGO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)CCS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPBMGLEWJWPAR-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUVFSYQGKZGTAA-UHFFFAOYSA-N", "SMILES:Nc1ccc(NC(=O)CCS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVHWNNYIOKDXKH-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)CCS)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCPLYVTRZCDCN-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(NC(=O)CCS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEPPAHWERVUPU-UHFFFAOYSA-N", "SMILES:NC(=O)NS(=O)(=O)c1ccc(NC(=O)CCS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYOHPPXCVUVCOX-UHFFFAOYSA-N", "SMILES:N=C(N)NS(=O)(=O)c1ccc(NC(=O)CCS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAQRYWNCMBHXCG-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKQCRLFJGJDQX-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccnc2c1CN(c1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSMOXWXNPSJEC-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cccc2c1CN(c1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCJIRZAEZFMSD-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nccc2c1CN(c1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIFOMSPYZPAVIT-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cncc2c1CN(c1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRVZUDJUKRUROZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1ncc2c1CN(c1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWEQJTSURXCZSD-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nccc2c1CN(c1cccc(C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMAJYTLCBGFYBV-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nccc2c1CN(c1ccc(C)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUDKNNCYJMCVPR-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHDHVURVNJFFH-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKEOHJKTOSJWSV-UHFFFAOYSA-N", "SMILES:O=C1c2ccnc(-c3ccc(F)cc3OC(F)(F)F)c2CN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVMAVQGRUXVAPD-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(N2Cc3c(ccnc3-c3ccc(F)cc3OCC(F)(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZGAQYMAUTRTP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(N2Cc3c(ccnc3-c3ccc(F)cc3OCC(F)(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYONZKUVXFHDI-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1ccc(N2Cc3c(ccnc3-c3ccc(F)cc3OCC(F)(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAZAPIKYVGRNCO-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(ccnc3-c3ccc(F)cc3OCC(F)(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQRPNTWETHFMLS-UHFFFAOYSA-N", "SMILES:CC(C)(O)COc1ccc(N2Cc3c(ccnc3-c3ccc(F)cc3OCC(F)(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMFGAWSFVDNTGM-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(NC(=O)c2cccc(-c3ccccc3OCC(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAPXPSWLDAVEG-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(NC(=O)c2ccnn(-c3ccccc3OCC(F)(F)F)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPXAJSVYUMOEP-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(NC(=O)c2ccnn(-c3ccc(F)cc3OCC(F)(F)F)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRFOBIJVVXGSTB-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(NC(=O)c2cccc(-c3ccccc3OCC(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCDCYNQCYZMKDD-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(NC(=O)c2cccc(-c3ccccc3OCC(F)(F)F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPQSPPGHXXOAC-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(NC(=O)c2cccn(-c3ccccc3OCC(F)(F)F)c2=O)cc1"]}
{"name": "Ceramide glucosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL6013"], "id": "UniProtKB:O88693", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110588", "category": ["biolink:ChemicalEntity"], "name": "ELIGLUSTAT", "xref": ["InChIKey:FJZZPCZKBUKGGU-AUSIDOKSSA-N", "SMILES:CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2"], "synonym": ["Eliglustat", "Eliglustat", "Eliglustat", "Eliglustat", "Eliglustat", "GENZ 99067", "GENZ-99067", "Eliglustat"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3459329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYIGUKYHSUVLOJ-UHFFFAOYSA-N", "SMILES:O=C(CCCNCc1ccc(Cl)c2cccnc12)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFGYVUUDVBBCL-LJQANCHMSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)CN(C[C@@H](O)COC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGOKMNESBQTRG-KRWDZBQOSA-N", "SMILES:Cc1cnn(C[C@H](C)NCc2cccc(OCc3ccccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVLOARCARGGYSW-UHFFFAOYSA-N", "SMILES:N#CC1(c2ccccc2)CCC(NCCc2nnc3ccccn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVEOZGZPAVUHBK-UHFFFAOYSA-N", "SMILES:Cc1cnc(NCc2ccccc2-n2ccnc2)nc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZCYVWXYHEXTL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)C1(CNCc2cccc3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVWRAFLGBYXIC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)C1(CNCc2ccc(Cl)c3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1181770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEQAMPXQRKYYQF-UHFFFAOYSA-N", "SMILES:CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODXNPITSUCBCC-LBPRGKRZSA-N", "SMILES:CN1CC[C@H](CNCc2ccc(Cl)c3cccnc23)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLDETFEMQHVSC-GFCCVEGCSA-N", "SMILES:O=C1C[C@H](CNCc2ccc(Cl)c3cccnc23)CN1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUJLVMFUJVXQG-GFCCVEGCSA-N", "SMILES:Clc1ccc(CNCC[C@@H]2CCOC2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQZXXYKMNWJALJ-LBPRGKRZSA-N", "SMILES:O=S1(=O)CCC[C@@H](CNCc2ccc(Cl)c3cccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHGRIXIUNQVDDZ-ZDUSSCGKSA-N", "SMILES:Clc1ccc(CNC[C@H]2CCn3ccnc3C2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTHKRTLCEIKEDM-UHFFFAOYSA-N", "SMILES:Clc1ccc(CNCCc2cccnc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQKURNMGBDGNK-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)CCNCc1ccc(Cl)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHBOBLSXLJVID-LBPRGKRZSA-N", "SMILES:O=S1(=O)CC[C@@H](CNCc2cccc3cccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMYKPSLMVJDZKJ-ZDUSSCGKSA-N", "SMILES:O=S1(=O)CCC[C@@H](CNCc2cccc3cccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBDPUDMFIFKQPS-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)C1(CNCc2ccc(Cl)c3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOCDVINDUHZPPN-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)CCNCc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOOGWFOGZFXFS-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)CCNCc1ccc(F)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCUCFZYHBWLLTG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)C1(CNCc2ccc(Br)c3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXZXJNJQZFMAE-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCC3CCCN(Cc4cccc(F)c4)C3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUHCABBCAHJPQR-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCC3CCCN(CCCC(F)F)C3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYVDJROSDCHIPC-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(F)c4)CC3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOLQZDAHCMXISM-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMSJPMKZTVCUMM-UHFFFAOYSA-N", "SMILES:CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEKGDDSQICBFDK-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCCCN(Cc3cccc(F)c3)C(C)C)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFBYGVYECDFTLS-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3cccc(CN(C)CCCC(F)F)c3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJRBYKZQSYWCM-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIDXMKKZYHFEM-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCC3CCCN(Cc4ccccc4)C3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4598256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWFBGTXYOJLQIW-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCC3CCN(Cc4ccccc4)CC3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNJDDJLRMICLQ-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCC3CCN(CCCC(F)F)CC3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXFJYPQDRBVIIL-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3ccc(CN(C)CCCC(F)F)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUXCCRUQLRWJNF-UHFFFAOYSA-N", "SMILES:CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJQCJJMXAPXRX-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBYHRTYKKZBKV-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C(F)F)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORAAUMJWAFSIM-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCC3CCCN(CCCO)C3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEMVOQOAOQXSRB-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCC3CCN(CCCO)CC3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEUJBVYGRJBEU-UHFFFAOYSA-N", "SMILES:CN(CCCO)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGNNZUSCIZLCCV-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc6[nH]ccc6c5)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCFIMHMAHSGSQ-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc(Oc6ccccn6)cc5Cl)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHBGHGSDVWWJRO-UHFFFAOYSA-N", "SMILES:N#CCN1CCC(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ccccn6)cc5Cl)cc4c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDCKSSRPYPAMC-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(CC#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXKBGOUPUCZAG-UHFFFAOYSA-N", "SMILES:CC1(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CCN(CC#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWQUPCKLWZWJNL-UHFFFAOYSA-N", "SMILES:CC1(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CCC(CC#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMPGCWKLHLHDP-QZBFGZBCSA-N", "SMILES:Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CC[C@@](N)(CC#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMPGCWKLHLHDP-HGBJFFEJSA-N", "SMILES:Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CC[C@](N)(CC#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCBLUYLPMZFLK-OOTKOPMESA-N", "SMILES:N#CC[C@]1(N)CC[C@@H](n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTVOJVSTJPPTQA-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(C(=O)CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZZBNLYBHUDSHF-DHLKQENFSA-N", "SMILES:Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(C(=O)CO)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYYPCSULGHPTA-OZXSUGGESA-N", "SMILES:COCC(=O)N1CC[C@H](n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)[C@@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDABNJSZKPTQLB-OZXSUGGESA-N", "SMILES:Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n([C@H]5CCN(C(=O)CO)C[C@@H]5F)c34)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBRZAPMVFXQDF-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1ccc(C=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DATXHLPRESKQJK-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOZLDYBGNJMMZ-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1ccc(C=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQYXSCBWPVORZ-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(N2CCCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQZMSLRYCONFG-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(C=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOQCMWBRBGSKQX-UHFFFAOYSA-N", "SMILES:Cc1cc(C=O)ccc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHEGLVHUQIEQEA-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)ccc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDANSDASCKBVKH-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1589630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AONHBESCCBXPAD-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFELXGCZCNQNEM-UHFFFAOYSA-N", "SMILES:Cc1cc(C=O)ccc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRLVJXGCODSRT-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1ccc(C=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYGMNZNDICVPO-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(N2CCOCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXSYGLGCBFMYGY-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1ccc(C=O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIBXTKNUDDQMR-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(C=O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUSKCSPDKZXLCB-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1ccc(C=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKBVQEWUQODUAA-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1ccc(C=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYBVBBWGSABASO-UHFFFAOYSA-N", "SMILES:Cc1cc(C=O)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHOJJIDGMVIEQB-UHFFFAOYSA-N", "SMILES:Cc1cc(C=O)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL164236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXRFQSNOROATLV-UHFFFAOYSA-N", "SMILES:O=Cc1ccc([N+](=O)[O-])cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5090017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLDKSNSJQOSBLD-HNNXBMFYSA-N", "SMILES:COc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)[C@@H](C)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHYXCTKKSFTXSV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3Cc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZSBBJCFHCTKE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2n(C)c(=O)n3Cc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCIJBBTTGKSQT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2[nH]c(=O)n3Cc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMHFDZUFYKYFMK-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1c(=O)cnc2c(-c3ccc(C)o3)nc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLQTROSRYZZFQ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)cnc3c(-c4ccc(C)o4)nc(N)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONIIWKRLZETBJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3Cc2ccco2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUMLPLQVEUPUTJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CC2CCCCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPABDQQUGWGFPI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CC2CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYVCRLAJNNEBJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWXSRYHPVUFTA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCCc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBKLSWBYDFURE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCCCc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDLLGGKJSXWQOF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccccc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZOLKXSFTMRASS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCC(c3ccccc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCSIZCSJRHPNW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCC2CCN(c3ccccc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMPNQVQGQZWUNC-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCn2c(=O)cnc3c(-c4ccc(C)o4)nc(N)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWNIBUJLPUDQQ-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPRYSHYEBNFCPG-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWJKPLCPIYQPRR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccccc3C(F)(F)F)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYMPCXVJKLMVHT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZODKWZBYWMPIF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPOSZVIQBIWSZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWEGKJSSGCYMGW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccccc3F)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCGOBJORSMCGB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3cccc(F)c3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYYPBQGUCEYAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(F)cc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWDHIJIPMMNOR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(OC(F)F)cc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALHSXGJSVIXLF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(Oc4ccccc4)cc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONAMVEAIHJHYNG-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INHFBANAGPCJPP-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYVGMZHSCNUIMN-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXGDJMDSIMSTR-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDZKMJPKHNFRAT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(F)cc3F)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYPHZGXGYQUTQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(F)cc3Cl)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGECMPYZQFGGQK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCN2CCN(c3ccc(OC(F)F)cc3F)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCQPYNZYCWMACM-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTRWGZWJUJBDK-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)CC2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWRASBCGIZFJEJ-UHFFFAOYSA-N", "SMILES:COc1cnc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTGWBZLGKWDCL-INIZCTEOSA-N", "SMILES:COc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)C[C@@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTGWBZLGKWDCL-MRXNPFEDSA-N", "SMILES:COc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)C[C@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIIXSUVDSDCMG-INIZCTEOSA-N", "SMILES:COc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)[C@@H](C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIIXSUVDSDCMG-MRXNPFEDSA-N", "SMILES:COc1ccc(N2CCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)[C@H](C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMVDCSTGBTKTQ-DLBZAZTESA-N", "SMILES:COc1ccc(N2C[C@H](C)N(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)C[C@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFOJJKMBOYICL-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CC3CCC(C2)N3CCn2c(=O)cnc3c(-c4ccc(C)o4)nc(N)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDROIWUHYEYDU-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCCN(CCn3c(=O)cnc4c(-c5ccc(C)o5)nc(N)nc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPAHDTULKAUPN-SYZXBLONSA-N", "SMILES:O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZEYLRNFGVPTTN-YGGPNUISSA-N", "SMILES:O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](CCC(=O)N1CCN(CC2CC2)CC1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXUHXWTNGBIBV-FNNZQJQASA-N", "SMILES:CCN1CCN(C(=O)C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPJXMQUDCBBRG-CRAXIPPQSA-N", "SMILES:CC(C)N1CCN(C(=O)C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVVDVLMPQTJBJ-YDSNZTKKSA-N", "SMILES:CCCCN1CCN(C(=O)C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGGTYDLTXKOFX-XMGLVOBQSA-N", "SMILES:O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](CC(=O)N1CCN(CCO)CC1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZCXVDADWAMAOV-OGZUKIFOSA-N", "SMILES:O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](CC(=O)N1CCN(CC2CC2)CC1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIZADITWMZMFLB-MJZVOSTQSA-N", "SMILES:O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSRJYMYJIKOOD-FQKQOIFNSA-N", "SMILES:O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJBRQSCKTZMVSH-OEGMZDAKSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)C[C@H](NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)C(=O)Nc3ccc(C(=O)O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGHSKOCOOVNLR-KRNDSPITSA-N", "SMILES:O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](CC(=O)N1CCSCC1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLPPFVQFCFEGZ-CHJAYFRMSA-N", "SMILES:CN1CCN(C(=O)CC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDGPCEOYAHYVAJ-ZIGLLSCRSA-N", "SMILES:CCN1CCN(C(=O)CC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCVLURNHVFZBFA-REHZOHHSSA-N", "SMILES:CC(C)N1CCN(C(=O)CC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNSTWGOOSHCEGF-XFHFFWBUSA-N", "SMILES:O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](CCC(=O)N1CCSCC1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPFPCJQNTAUVAB-DGOUCMFKSA-N", "SMILES:CC(=O)N1CCN(C(=O)C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOAXXKWHNWIOBB-DIPILFDCSA-N", "SMILES:O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](CC(=O)N1CCCN(CC2CC2)CC1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLRFHHXKMLDMEL-CHKMETFLSA-N", "SMILES:CCCCN1CCN(C(=O)CC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKORSJXXRHGTE-YTTGMZPUSA-N", "SMILES:Cc1nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(N2CCC(C)(C)CC2)c1-c1ccc(OCCc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LISBHANFFRGXOI-HKBQPEDESA-N", "SMILES:Cc1nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(N2CCC(C)(C)CC2)c1-c1ccc(OCCc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRAPYILUNPCGHP-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCC(=O)NO)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSDFCYKOKGWPD-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCCCC(=O)NO)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMOLUGCFDXSGQT-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCCCCC(=O)NO)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYYXLRFVCKTODM-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5cccc(C(=O)NO)c5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKYMWFAJXDAVHN-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccccc5C(=O)NO)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYGMHGFOLKYZEF-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(CC(=O)NO)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYPZLONUGJGMDS-IZZDOVSWSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(/C=C/C(=O)NO)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBMIEDHAMWNTC-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCCCC(=O)Nc5ccccc5N)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKRLQSISRFCMR-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(C(=O)Nc6ccccc6N)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWFSWVIRVHASZ-XNTDXEJSSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(/C=C/C(=O)Nc6ccccc6N)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXZLKVBYISWFW-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCC(=O)NO)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKTFTGIEHJSBLZ-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCCC(=O)NO)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWYFPRDRKWIVDM-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(C(=O)NO)cc5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUPLXFSJRZSPDY-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCC(=O)Nc5ccccc5N)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWCSFLMCDIUBHK-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCC(=O)Nc5ccccc5N)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWSPOVVBSQSGN-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCCC(=O)Nc5ccccc5N)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJKPFFGSLMKIAL-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5cccc(C(=O)Nc6ccccc6N)c5)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWCNKJQJTVKPP-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccccc5C(=O)Nc5ccccc5N)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFDWQIGVKTXQN-ZZXKWVIFSA-N", "SMILES:O=c1[nH]nc(/C=C/c2ccc(O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILWSQMPRLRVLKH-DUXPYHPUSA-N", "SMILES:O=c1[nH]nc(/C=C/c2ccc(O)c(O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHSUNWAPXINQU-GQCTYLIASA-N", "SMILES:C#CCNC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GATJTKNXQSUXLC-SNAWJCMRSA-N", "SMILES:C#CCNC/C=C/c1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAXNEBRMQBWTGI-SNAWJCMRSA-N", "SMILES:O=c1[nH]nc(/C=C/c2cccc([N+](=O)[O-])c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCDSOQUOUEWGJ-DUXPYHPUSA-N", "SMILES:O=c1[nH]nc(/C=C/c2ccc3c(c2)OCO3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYGFFSPTNNICOE-CMDGGOBGSA-N", "SMILES:C#CCn1nc(/C=C/c2ccccc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWNGHRZTSVOJY-BQYQJAHWSA-N", "SMILES:C#CCn1nc(/C=C/c2cccc(OC)c2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFKGQKWKUGEJCM-RMKNXTFCSA-N", "SMILES:C#CCn1nc(/C=C/c2ccc(OC)cc2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMSDTXDTADVXAZ-VOTSOKGWSA-N", "SMILES:C#CCn1nc(/C=C/c2cccc(O)c2)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQNNROQIYRCMC-VMPITWQZSA-N", "SMILES:C#CCNC(=O)/C=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTYUEOFKIDICE-QPJJXVBHSA-N", "SMILES:COc1ccc(/C=C/c2n[nH]c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRTYCOLKLXMKOC-SNAWJCMRSA-N", "SMILES:N#Cc1cccc(/C=C/c2n[nH]c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZPBOSUPVITZPO-ORPRRYDLSA-N", "SMILES:OC[C@H]1O[C@@H](OCCCCc2ccc(O)c(/C=N/O)n2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGLTTXYVHJFOO-IFAGIHSYSA-N", "SMILES:OC[C@H]1O[C@@H](OCCCc2ccc(O)c(/C=N/O)n2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSKZXNAZWMWYGQ-FDHFJHLKSA-N", "SMILES:OC[C@H]1O[C@@H](OCCCCc2cn(CCCc3ccc(O)c(/C=N/O)n3)nn2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMPZKJNKKACAD-WIOCLYCCSA-N", "SMILES:OC[C@H]1O[C@@H](OCCCCc2cn(CCCCc3ccc(O)c(/C=N/O)n3)nn2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELSIJXWEROXOE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+](COC[n+]2ccccc2/C=N/O)cc1.[Cl-].[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBWEUSJRNVITC-VFIMMFMKSA-N", "SMILES:OC[C@H]1O[C@@H](OCCCCc2cn(CCCCc3ccc(O)c(/C=N/O)n3)nn2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMPZKJNKKACAD-YYFUOQEFSA-N", "SMILES:OC[C@H]1O[C@H](OCCCCc2cn(CCCCc3ccc(O)c(/C=N/O)n3)nn2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUWCPMVVGFCLA-GLLLEQLPSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQEJOSANSSCJTB-NSZXSFTFSA-N", "SMILES:O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUXKBFIJGKYGNB-DPIUEXTMSA-N", "SMILES:O=C(CCc1ncc[nH]1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEZRFRNUHKQBO-VRLWAYGVSA-N", "SMILES:O=C(Cc1cn[nH]c1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBLTXGEZQHUJB-RWDOKKOTSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQEJOSANSSCJTB-RMTHQLOBSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRHCPPWGBUABG-IVFPCRHHSA-N", "SMILES:O=C(Cc1ncc[nH]1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUXWMTVOADUHS-GLLLEQLPSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBLTXGEZQHUJB-AWLXNZOLSA-N", "SMILES:O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRHCPPWGBUABG-OIUZVZFJSA-N", "SMILES:O=C(Cc1ncc[nH]1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUXWMTVOADUHS-WNKABWIMSA-N", "SMILES:O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBSBANJVSVOKR-VRLWAYGVSA-N", "SMILES:O=C(Cc1cc[nH]n1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARLXUWULUMAUCN-HFXSLSFNSA-N", "SMILES:O=C(CCc1cc[nH]n1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWLXTVCBCGRKS-HFXSLSFNSA-N", "SMILES:O=C(CCc1cnc[nH]1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAAGVINOSUIAQC-ZVSWXMMXSA-N", "SMILES:O=C(Cc1cnc[nH]1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARLXUWULUMAUCN-MFYLVTQTSA-N", "SMILES:O=C(CCc1cc[nH]n1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUXKBFIJGKYGNB-DNXKRFOBSA-N", "SMILES:O=C(CCc1ncc[nH]1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWWWDPCRSZRSV-HFXSLSFNSA-N", "SMILES:O=C(CCc1cn[nH]c1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUWCPMVVGFCLA-WNKABWIMSA-N", "SMILES:O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAAGVINOSUIAQC-VRLWAYGVSA-N", "SMILES:O=C(Cc1cnc[nH]1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBSBANJVSVOKR-ZVSWXMMXSA-N", "SMILES:O=C(Cc1cc[nH]n1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEZRFRNUHKQBO-ZVSWXMMXSA-N", "SMILES:O=C(Cc1cn[nH]c1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWLXTVCBCGRKS-MFYLVTQTSA-N", "SMILES:O=C(CCc1cnc[nH]1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWWWDPCRSZRSV-MFYLVTQTSA-N", "SMILES:O=C(CCc1cn[nH]c1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1186579", "category": ["biolink:ChemicalEntity"], "name": "METHYLNALTREXONE", "xref": ["InChIKey:JVLBPIPGETUEET-GAAHOAFPSA-O", "SMILES:C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5"], "synonym": ["Methylnaltrexone", "Methylnaltrexone", "Methylnaltrexone cation", "Methylnaltrexone ion", "MRZ-2663"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5077166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAGVEDGNRGWJO-LYYAMDBGSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAGVEDGNRGWJO-FYPRDNINSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWLRYIHXRPRUTH-BKTSAOQWSA-N", "SMILES:Cl.O=C(Cc1ccc[nH]1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWLRYIHXRPRUTH-NYOJXWEGSA-N", "SMILES:Cl.O=C(Cc1ccc[nH]1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPXIYNGOIKTSJ-CHKFEDFBSA-N", "SMILES:Cl.O=C(CCc1ccc[nH]1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPXIYNGOIKTSJ-NCFDXLCNSA-N", "SMILES:Cl.O=C(CCc1ccc[nH]1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFYSNBJEMOGYLQ-UQCSYHANSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFYSNBJEMOGYLQ-PDTFPAPYSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJSEZYVJSIPMT-NYOJXWEGSA-N", "SMILES:Cl.O=C(Cc1cc[nH]c1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJSEZYVJSIPMT-BKTSAOQWSA-N", "SMILES:Cl.O=C(Cc1cc[nH]c1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJANPWCQZDVEBL-CHKFEDFBSA-N", "SMILES:Cl.O=C(CCc1cc[nH]c1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJANPWCQZDVEBL-NCFDXLCNSA-N", "SMILES:Cl.O=C(CCc1cc[nH]c1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYFSXXHPRRURB-LYYAMDBGSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYFSXXHPRRURB-FYPRDNINSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQXNBRFGWNDKZ-BKTSAOQWSA-N", "SMILES:Cl.O=C(Cc1ccco1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQXNBRFGWNDKZ-NYOJXWEGSA-N", "SMILES:Cl.O=C(Cc1ccco1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUOBSOJCPUJLSG-CHKFEDFBSA-N", "SMILES:Cl.O=C(CCc1ccco1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUOBSOJCPUJLSG-NCFDXLCNSA-N", "SMILES:Cl.O=C(CCc1ccco1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBSVANNKUKFNOK-UQCSYHANSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBSVANNKUKFNOK-PDTFPAPYSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWZWTGMXLYNIT-BKTSAOQWSA-N", "SMILES:Cl.O=C(Cc1ccoc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWZWTGMXLYNIT-NYOJXWEGSA-N", "SMILES:Cl.O=C(Cc1ccoc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGRGKVSHSPEOI-CHKFEDFBSA-N", "SMILES:Cl.O=C(CCc1ccoc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGRGKVSHSPEOI-NCFDXLCNSA-N", "SMILES:Cl.O=C(CCc1ccoc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFOSYKDKSXYHX-LYYAMDBGSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFOSYKDKSXYHX-FYPRDNINSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDZNDGYIOSEQS-NYOJXWEGSA-N", "SMILES:Cl.O=C(Cc1cccs1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWVYEYVFQIXGKT-CHKFEDFBSA-N", "SMILES:Cl.O=C(CCc1cccs1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWVYEYVFQIXGKT-NCFDXLCNSA-N", "SMILES:Cl.O=C(CCc1cccs1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XACBDMWNRDDESN-UQCSYHANSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XACBDMWNRDDESN-PDTFPAPYSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYLUUXKEAXGKTQ-BKTSAOQWSA-N", "SMILES:Cl.O=C(Cc1ccsc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYLUUXKEAXGKTQ-NYOJXWEGSA-N", "SMILES:Cl.O=C(Cc1ccsc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLKDHJJZTXVCJ-CHKFEDFBSA-N", "SMILES:Cl.O=C(CCc1ccsc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLKDHJJZTXVCJ-NCFDXLCNSA-N", "SMILES:Cl.O=C(CCc1ccsc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRILLJZXUHFGBE-MRXNPFEDSA-N", "SMILES:CC(C)C[C@@H](N)COc1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRILLJZXUHFGBE-INIZCTEOSA-N", "SMILES:CC(C)C[C@H](N)COc1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSOULHYZJJKVGA-SFHVURJKSA-N", "SMILES:Cc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C#N)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKGQUBOYHDWACY-KRWDZBQOSA-N", "SMILES:COc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C#N)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZAOHCCGAGVZHV-INIZCTEOSA-N", "SMILES:CC(C)C[C@H](N)COc1ccc(-c2ccnc(C(F)(F)F)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJFBQMHGCCSHRP-SFHVURJKSA-N", "SMILES:CC(C)C[C@](C)(N)COc1ccc(-c2ccncc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFYLJMUQWYKNM-SFHVURJKSA-N", "SMILES:CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(F)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULGONQSWPGCYPW-IBGZPJMESA-N", "SMILES:Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLASSJMOZUBNPF-FQEVSTJZSA-N", "SMILES:Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKMRZAXLCSNZFP-FQEVSTJZSA-N", "SMILES:Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C#N)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZSSTHDQSTULI-QFIPXVFZSA-N", "SMILES:Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C3CC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZPCBCVMTALJQY-IBGZPJMESA-N", "SMILES:CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(C(F)F)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBWQVJCOYTGOR-FQEVSTJZSA-N", "SMILES:CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(C(F)F)c2)cc1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSITUXKTVTAKL-FQEVSTJZSA-N", "SMILES:CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(C(F)F)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUEONCDQDNXPAO-QFIPXVFZSA-N", "SMILES:CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(C(F)F)c2)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJNRYIZUGRFONS-SFHVURJKSA-N", "SMILES:Cc1cc(-c2ccnc(Cl)c2)cnc1OC[C@@](C)(N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRWQJAEZHTNFX-SFHVURJKSA-N", "SMILES:Cc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBMFKNLBDNBNH-IBGZPJMESA-N", "SMILES:Cc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C#N)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQJORGYEQHMAB-IBGZPJMESA-N", "SMILES:Cc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCHJRHXGHGSPDX-SFHVURJKSA-N", "SMILES:CC(C)C[C@](C)(N)COc1ncc(-c2ccnc(Cl)c2)cc1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNDCZOZTMJFJKQ-IBGZPJMESA-N", "SMILES:Cc1cc(-c2ccnc(C(F)F)c2)cnc1OC[C@@](C)(N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POSUBHCVLIQGIR-IBGZPJMESA-N", "SMILES:CC(C)C[C@](C)(N)COc1ncc(-c2ccnc(C(F)F)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBECKKYUEBWTKW-IBGZPJMESA-N", "SMILES:Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOKOGJZOVMLHI-SFHVURJKSA-N", "SMILES:Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(Cl)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKGLFXBOCVPLN-IBGZPJMESA-N", "SMILES:Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAHWFUWISRRLIM-SFHVURJKSA-N", "SMILES:CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(Cl)c2)nc1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWXJOFGASPGQX-SFHVURJKSA-N", "SMILES:CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(C(F)F)c2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089410", "category": ["biolink:ChemicalEntity"], "name": "PILAVAPADIN", "xref": ["InChIKey:RKAHOQATMSONTM-IBGZPJMESA-N", "SMILES:CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(C(F)F)c2)nc1C(F)F"], "synonym": ["Pilavapadin", "Pilavapadine", "Pilavapadina", "Lx9211", "AAK1-IN-1", "BMS-986176", "LX-9211"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCHBUYDFXKLTP-RDGPPVDQSA-N", "SMILES:CCS(=O)(=O)N[C@H]1CCCN(C(C)=O)[C@H]1CO[C@H]1CC[C@@H](C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMXASJNOXDGQS-MHORFTMASA-N", "SMILES:CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYMDPDRXJOEXIR-YRPNKDGESA-N", "SMILES:CC(=O)N1CCC[C@H](NS(=O)(=O)C(C)C)[C@@H]1CO[C@H]1CC[C@@H](C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGPHOCNBEFFTNM-YRPNKDGESA-N", "SMILES:CCCS(=O)(=O)N[C@H]1CCCN(C(C)=O)[C@H]1CO[C@H]1CC[C@@H](C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABNEMZFAGHVLK-UKMLZYKCSA-N", "SMILES:CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYJTZUGIUWJJIK-WOZUAGRISA-N", "SMILES:CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXIWAAZEKCXMJ-RDGPPVDQSA-N", "SMILES:CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTZWGSJNUWUJV-WOZUAGRISA-N", "SMILES:CCC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZYGSCCYQLHKJ-WOZUAGRISA-N", "SMILES:CCOC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSPLXQGOXYDRB-WOZUAGRISA-N", "SMILES:CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCHBUYDFXKLTP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NC1CCCN(C(C)=O)C1COC1CCC(C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOSMUHDSEBWHLG-IIIOAANCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDVHMHVEQPHSR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(C)c(=O)c1CN1CCc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGGDPSSPHEZSS-UHFFFAOYSA-N", "SMILES:CCc1cc(C)n(C)c(=O)c1CN1CCc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNDZQRZXDLKBY-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C3CC3)cc(C)n(C)c1=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARKSSIILHFSEEG-UHFFFAOYSA-N", "SMILES:COc1cc(C)n(C)c(=O)c1CN1CCc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQJBIVBQHWOWEA-UHFFFAOYSA-N", "SMILES:CSc1cc(C)n(C)c(=O)c1CN1CCc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITIZQLUZPJOSME-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCNc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZAFOCDCPBKSF-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKPSCQRIAUVSI-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2c(OC)cc(C)[nH]c2=O)C(=O)c2c(Cl)c(-c3c(C)noc3C)cc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGORJRFCJNAQJD-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2ccc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENXFADXISFZBK-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2c(OC)cc(C)[nH]c2=O)C(=O)c2c1ccc(-c1c(C)noc1C)c2Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKYMKAMOPAHADU-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(OC(C)C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBJZSZQPSZRLLI-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(C(C)C3CCOCC3)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFFMCEHASZDRJB-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(C(O)C3CCOCC3)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBPNJVZRYWICPU-UHFFFAOYSA-N", "SMILES:CCN(c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(OC)cc(C)[nH]c1=O)CCN2C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSHBBTPLAUIEOJ-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3ccc(N4CCOCC4)cc3)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMWVXBLZIKXOY-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3ccc(Cl)cc3F)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXKLJLVDSREJRE-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3ccc(CN4CCOCC4)cc3)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZHVFZFNLVEEFS-UHFFFAOYSA-N", "SMILES:CCc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTMWKTDHHNJLHJ-UHFFFAOYSA-N", "SMILES:COc1cc(C)n(C)c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYBLFGNXDBGXEE-UHFFFAOYSA-N", "SMILES:CSc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOCJCOWEKHFMY-UHFFFAOYSA-N", "SMILES:CSc1cc(C)n(C)c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFEBGFLWTGSFKG-UHFFFAOYSA-N", "SMILES:CSc1cc(C)n(C)c(=O)c1CN1CCNc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTSGMNYQSRAKGD-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHRPJQJOBDOJKU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENXNFNQQOSOIZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURCRNBCKBOXFH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMDKCHNRIDZCIK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCCNc5cccc(C6CCC(=O)NC6=O)c5)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXUGPKGNONGRJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCCOc5ccc(C6CCC(=O)NC6=O)cc5)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJYSNHTGSVIBV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCCOc5cccc(C6CCC(=O)NC6=O)c5)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYDUBODDYBCNZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NC5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTPOFCHJCWFAIM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEBZVDAHMXWJN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFUBQJFNCMAGS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCN5CC6CC5CN6c5ccc(C6CCC(=O)NC6=O)cc5)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHVTKVZITWROX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCN5CCC6(CC5)CCN(c5ccc(C7CCC(=O)NC7=O)cc5)CC6)cc4)nc4[nH]ccc34)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSRSTHPRYBNVDX-UHFFFAOYSA-N", "SMILES:c1ccc2oc(-c3csc(C4CCN(Cc5nc6cnccc6[nH]5)CC4)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGMDXYZGXYAPHU-SSDOTTSWSA-N", "SMILES:C[C@@H](NC(=O)c1nn(C)c2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C2)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GURDIWVEOBLMLO-MRVPVSSYSA-N", "SMILES:C[C@@H](NC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXBLTRHOVOBSG-SECBINFHSA-N", "SMILES:C[C@@H](NC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDVZJSAWSPFTIC-SNVBAGLBSA-N", "SMILES:C[C@@H](NC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)CC2)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWMLNEIWSAZOBQ-MRVPVSSYSA-N", "SMILES:C[C@@H](NC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)nc(F)c1)CC2)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZDDYSUULLKXDH-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2ncn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRSASFUVASNTNX-SNVBAGLBSA-N", "SMILES:CC[C@@H](C)NC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHPJVBVQKBIHK-MRVPVSSYSA-N", "SMILES:Cc1nc(C(=O)N[C@H](C)C(F)(F)F)c2n1CCN(C(=O)Nc1cc(F)c(F)c(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXRPVTUQVGIMAZ-MRVPVSSYSA-N", "SMILES:C[C@@H](NC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYDRJZKKQDYCNI-VHSXEESVSA-N", "SMILES:C[C@H]1Cn2cnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYDRJZKKQDYCNI-NXEZZACHSA-N", "SMILES:C[C@@H]1Cn2cnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPWRTVFLBVPGM-WDEREUQCSA-N", "SMILES:C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)Cc2c(C(=O)N[C@H](C)C(F)(F)F)ncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVCLQHLBEYLALP-DTWKUNHWSA-N", "SMILES:C[C@H]1Cn2cnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)nc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRMALCAFLUVWEO-NWDGAFQWSA-N", "SMILES:Cc1cc(NC(=O)N2Cc3c(C(=O)N[C@H](C)C(F)(F)F)ncn3C[C@@H]2C)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZIBIXCYSAMOHV-WDEREUQCSA-N", "SMILES:C[C@H]1Cn2cnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZIBIXCYSAMOHV-QWRGUYRKSA-N", "SMILES:C[C@H](NC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)C2)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXWKKLIJABSJL-WDEREUQCSA-N", "SMILES:C[C@H]1Cn2ncc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUHMIUVLRGJYCU-VHSXEESVSA-N", "SMILES:C[C@H]1Cn2ncc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTJKKDOFZOYSIG-DTWKUNHWSA-N", "SMILES:C[C@H]1Cn2ncc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)nc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMPOWPGCJJBTQ-VHSXEESVSA-N", "SMILES:C[C@H]1CN(C(=O)Nc2ccc(F)c(F)c2)Cc2c(C(=O)N[C@H](C)C(F)(F)F)ncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2448553", "category": ["biolink:ChemicalEntity"], "name": "HAINANOLIDE", "xref": ["InChIKey:QNJIIOHVULPMRL-ZIPZLQRMSA-N", "SMILES:Cc1cc(=O)cc2c3c1[C@@H]1O[C@H]4[C@@H]5OC(=O)[C@](CC2)([C@@H]4C)[C@H]3[C@@H]51"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4218735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARWMKZDWGIOCEU-AREMUKBSSA-N", "SMILES:CC(=O)N1c2ccc(C3=CCNCC3)cc2N(Cc2ccccc2CO)C[C@@H]1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZPMLZHTAAYDCQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(Cl)ccc4C)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLWNLXFNAQHOKA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1cccc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBWZWPNNCGYCMQ-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGBUMUCBJMTKA-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1NS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMWJEWVIDIZMI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)C(=Cc2ccncc2)c2nc3ccccc3o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONKYKPKVGEBBM-UHFFFAOYSA-N", "SMILES:Cc1nn(CCO)c(C)c1-c1c(C)c(-c2ccc(O)cc2)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDZKNKYYOCURE-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccc(O)cc4)C5=O)c3)cc2C(=O)N1c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYXGDZAWKQEEM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTRUSNKTGWLNLY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(Cl)ccc4C)n(-c4ccccc4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJIXYHURRRAKA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(Cl)ccc4C)n(-c4ccc(C)o4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMIKSNPPWBQJA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4)n(-c4ccccc4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPBJDXYLLYTKW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTXOITDPJCOZBB-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMFXBYXEFUFGU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4Cl)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQMQUKJGFYOHJZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccc(C)c4)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVCZLJVSCHTDM-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCN(C(C)=O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVLQNRCHSAODFM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNDPLHVUOUURQK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXRRBHAVCGYQIL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4C)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFJMRRSUYQEYBB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTWFAMRPAIUCHA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccc(Cl)c4)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBUGIHJEHOFGOX-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCN(C(C)=O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFHUIQMTUKQFZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4F)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXSBQUZSZVUJN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4F)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCGQGIOGAAFJH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)c(F)c4)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCXFMHNWGVXHY-UHFFFAOYSA-N", "SMILES:CSc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDCELJQYUUVLC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GARADWLRKRYUDK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(F)ccc4F)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLYDXOGWVQJBD-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQWNNUKTSPZBM-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GADMQTPISFEKAT-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNSAIGWVULNGN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)c(Cl)c4)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKSZQDMWWJVJRR-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)c(F)c4)n(Cc4ccco4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGSQZWVGGCGET-UHFFFAOYSA-N", "SMILES:COc1cc2cc[nH]c2cc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZCOIYTMCGNEC-UHFFFAOYSA-N", "SMILES:COc1cc2cn[nH]c2cc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMWELPPYPWWGO-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCN(C)CC3)n[nH]c2cc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQXOGNDAWCFNU-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQHZVYXUICCCKG-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCN(C)CC3)n[nH]c2cc1-c1cc(C)nc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFFOUDBTVHJYOG-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1cc(C)nc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNAPNPRDCFCSN-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWWBWZTNILPQF-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUAKDCFSTZULRD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc3[nH]nc(NC4CCN(C)CC4)c3cc2OC)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBEKIKINIZAJCH-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKOKJJLUNMJTBK-UHFFFAOYSA-N", "SMILES:Cc1nccc(-c2cc3[nH]nc(NC4CCN(C)CC4)c3cc2C2CC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZAOOSGKUBHZSY-ROUUACIJSA-N", "SMILES:Cc1nccc(-c2cc3[nH]nc(N[C@H]4CCNC[C@@H]4F)c3cc2C2CC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUSJRQVEHUHMRQ-PMACEKPBSA-N", "SMILES:Cc1cc(-c2cc3[nH]nc(N[C@H]4CCNC[C@@H]4F)c3cc2C2CC2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUSJRQVEHUHMRQ-WOJBJXKFSA-N", "SMILES:Cc1cc(-c2cc3[nH]nc(N[C@@H]4CCNC[C@H]4F)c3cc2C2CC2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFUJTRBVLTSQZ-NIZJOAOESA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3ccc(N4CC5CCC4CO5)c(F)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBQPUXUYYHTETQ-NIZJOAOESA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3cc(F)c(N4CC5CCC4CO5)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJUCQAWOGIMSE-PMACEKPBSA-N", "SMILES:O=C(C1CCN(CC(F)(F)F)CC1)N1Cc2cc(F)cnc2Nc2ccc(N3C[C@@H]4C[C@H]3CO4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPQQBZYSJKTOZ-BBLPBDBVSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cc(F)cnc3Nc3ccc(N4CC5CCC4CO5)cc32)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAQTJPWGFWVIQ-SRVRYNIDSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cc(S(C)(=O)=O)cnc3Nc3ccc(N4CC5CCC4CO5)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMTQUGOIFSTEJD-FAYYJSRZSA-N", "SMILES:Cc1cnc2c(c1)CN(C(=O)[C@H]1CC[C@H](OC(C)C)CC1)c1cc(N3CC4CCC3CO4)ccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWCWTOAPMNWRBE-ABKYZYHSSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cc(Cl)cnc3Nc3ccc(N4CC5CCC4CO5)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUHIEXZNDMQEL-ABKYZYHSSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cc(F)cnc3Nc3ccc(N4CC5CCC4CO5)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMDJNAPPGWIZBB-TYABSZSSSA-N", "SMILES:COC1C[C@H]2CC[C@@H](C1)N2c1ccc2c(c1)N(C(=O)C1CCN(CC(F)(F)F)CC1)Cc1cccnc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKBKRUDVASGLN-SAIGFBBZSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3ccc(N4CC5(CCCOC5)C4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMUWDCKNZVOFLM-QGQQZZQASA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3ccc(N4C[C@@H]5C[C@H]4CO5)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJAVGHSGEDSWLB-SRVRYNIDSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3ccc(N4CC5CCC4CO5)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJIUZWEHCMKKS-XYWHTSSQSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3ccc(N4CCOCC4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFGROHQRASPGIZ-BBLPBDBVSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3ccc(N4CC5CCC4CO5)cc32)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSTOLUBLPHCKFS-ROPIDPSMSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2c3cc(N4C[C@@H]5C[C@H]4CO5)ccc3Nc3ncccc3C2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPFQRUMTLFESI-MQGJPIDWSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cncnc3Nc3ccc(N4C[C@@H]5C[C@H]4CO5)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYNWTPXBLCTLR-VMXMFDLUSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3cnc(N4C[C@@H]5C[C@H]4CO5)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYIMZVTLRWABG-XUTJKUGGSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3cnn(CC4CCOCC4)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJQVHPDRBPSDB-NZQKXSOJSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cc(F)cnc3Nc3ccc(-c4cnn(C)c4)cc32)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRIBUWKFTGOOCP-XUTJKUGGSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3nccnc3Nc3ccc(C4CCOCC4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBPMVBPHRXSOQZ-MMALCEFLSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3cnc(C4COCCO4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUICWOOCJAYCCE-BEUBQONESA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3ccc(C4COCCO4)cc32)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBPQMAKDYFKOK-BEUBQONESA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cc(F)cnc3Nc3ccc(C4COCCO4)cc32)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCDIIOEHZUWLP-IRXMKASPSA-N", "SMILES:CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cccnc3Nc3cc(F)c(C4COCCO4)cc32)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGJIUUQQZUDAKL-UHFFFAOYSA-N", "SMILES:O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKLPYXIKZJWRBG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc([N+](=O)[O-])c2sc(N3CCN(CC4CCCCC4)CC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSAHBFJLXQQAMR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc([N+](=O)[O-])c2sc(N3CCN(CC4CCC(F)(F)CC4)CC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWFVMBXDGNNVFA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc([N+](=O)[O-])c2sc(N3CCN(CC4CCOCC4)CC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMGWMXNDMKIHQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc([N+](=O)[O-])c2sc(N3CCN(CC4CCCCC4)C4(CC4)C3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVHWCMDILGUWBA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc([N+](=O)[O-])c2sc(N3CCCN(CC4CCCCC4)CC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQXKPLJISRPJFN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc([N+](=O)[O-])c2sc(N3CCCN(CC4CCCC4)CC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLOOGGIEKCYSL-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCCN(c2nc(=O)c3cc(S(C)(=O)=O)cc([N+](=O)[O-])c3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEJDPSDNAIGHI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc([N+](=O)[O-])c2sc(N3CCN(S(=O)(=O)C4CC4)CC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGQNCDAKIPFMLZ-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)N1CCN(c2nc(=O)c3cc(S(C)(=O)=O)cc([N+](=O)[O-])c3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSSDMSQRHFDFA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCN(c2nc(=O)c3cc(S(C)(=O)=O)cc([N+](=O)[O-])c3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHRRQKGVFMUJA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc([N+](=O)[O-])c2sc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKNCBUBONVBNJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1nn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2cc(Oc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKBMRZDYCZPLFO-LJQANCHMSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1cc2n(c1)C(=O)N([C@H](CO)c1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUCOUAVFAOVIZ-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1nccc(N2CCN(C(CO)c3cccc(Cl)c3)C(=O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADQBZILFQAYYAA-DOTOQJQBSA-N", "SMILES:Cn1nccc1Nc1nccc(N2CC[C@H](C(=O)N[C@H](CO)c3cccc(Cl)c3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFLWJPNOQTXIR-JOCHJYFZSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1ccc2c(c1)CCN([C@H](CO)c1cccc(Cl)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIKYSAPYCYZJDM-OAQYLSRUSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1ccc2c(c1)CN([C@H](CO)c1cccc(Cl)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRDYUVOWZZVKK-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1N1Cc2cn(C(CO)c3cccc(Cl)c3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDCROCFUJGBCQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1N1Cc2nn(C(CO)c3cccc(Cl)c3)c(C)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAPCRLSYLOVVNK-HXUWFJFHSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1cc2n(c1)C(=O)N([C@H](CO)c1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKGFQPJXTFGLAA-QGZVFWFLSA-N", "SMILES:Cn1nccc1Nc1nccc(-c2cn3c(n2)CN([C@H](CO)c2cccc(Cl)c2)C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDBGVMBLOZVQW-GOSISDBHSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1cn2c(c1F)CN([C@H](CO)c1cccc(Cl)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXOKMSNYMXNIAX-GOSISDBHSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2cc3n(c2)C(=O)N([C@H](CO)c2cccc(Cl)c2)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXYDDQVPVDOULC-HXUWFJFHSA-N", "SMILES:O=C1N([C@H](CO)c2cccc(Cl)c2)Cc2cc(-c3nc(NC4CCOCC4)ncc3Cl)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYWNALRLVNLCOC-KPZWWZAWSA-N", "SMILES:C[C@@H](CO)Nc1ncc(Cl)c(-c2cc3n(c2)C(=O)N([C@H](CO)c2cccc(Cl)c2)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYWNALRLVNLCOC-KZULUSFZSA-N", "SMILES:C[C@H](CO)Nc1ncc(Cl)c(-c2cc3n(c2)C(=O)N([C@H](CO)c2cccc(Cl)c2)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEGIHBPFEABTHR-LJQANCHMSA-N", "SMILES:Cc1cnc(NC(C)C)nc1-c1cc2n(c1)C(=O)N([C@H](CO)c1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNDMXMRISXUJI-HXUWFJFHSA-N", "SMILES:CC(C)Nc1cc(-c2cc3n(c2)C(=O)N([C@H](CO)c2cccc(Cl)c2)C3)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESGGMWOOVVIGW-LJQANCHMSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1cc2n(c1)C(=O)N([C@H](CO)c1ccc(F)c(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUNIPVIHYXZNFE-LJQANCHMSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1cc2n(c1)C(=O)N([C@H](CO)c1ccc(Cl)c(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGHACSDYDMUKP-HXUWFJFHSA-N", "SMILES:COc1cc(F)cc([C@@H](CO)N2Cc3cc(-c4nc(Nc5ccnn5C)ncc4C)cn3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDBIEEUIFZLQEK-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1cc2n(c1)C(=O)N(Cc1ccc(F)c(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFSVLUYQLECMD-OAHLLOKOSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1cc2n(c1)C(=O)N([C@H](C)c1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKUJOYSMJRULC-HXUWFJFHSA-N", "SMILES:CNC[C@H](c1cccc(Cl)c1)N1Cc2cc(-c3nc(Nc4ccnn4C)ncc3C)cn2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAWSHCFBXIUKJY-LJQANCHMSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1cc2n(c1)C(=O)N([C@H](CN)c1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHUJOJNGLZJEAQ-INIZCTEOSA-N", "SMILES:C[C@@H](CN1CCC(N2C(=O)Cc3ccccc32)CC1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHNXWYXUNYSCRR-HNNXBMFYSA-N", "SMILES:C[C@@H](CN1CCC(n2c(=O)oc3ccccc32)CC1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKKBWVASRHMJPO-HNNXBMFYSA-N", "SMILES:C[C@@H](CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKNKYCWOAJATMJ-HNNXBMFYSA-N", "SMILES:C[C@@H](CN1CCC(c2n[nH]c3ccccc23)CC1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFKEOMGTUZOQS-INIZCTEOSA-N", "SMILES:C[C@@H](CN1CCC2(CC1)CC(=O)Nc1ccccc12)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTHKCSBZRGVPP-HNNXBMFYSA-N", "SMILES:C[C@@H](CN1CCC2(CC1)NC(=O)Nc1ccccc12)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNIGCQKMLQLPDE-HNNXBMFYSA-N", "SMILES:C[C@@H](CN1CCC2(CC1)OC(=O)Nc1ccccc12)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAYDLSNHEFBCSP-AWEZNQCLSA-N", "SMILES:C[C@@H](CN1CCC2(CC1)OC(=O)Nc1cc(F)ccc12)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICBTKLLNFBMSQ-AWEZNQCLSA-N", "SMILES:C[C@@H](CN1CCC2(CC1)OC(=O)Nc1ccncc12)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNUXKZOMDJPUQQ-AWEZNQCLSA-N", "SMILES:C[C@@H](CN1CCC2(CC1)OC(=O)Nc1cccnc12)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLCFHHJOCOKGIV-KKSFZXQISA-N", "SMILES:C[C@@H](CN1CCC2(CC1)OC(=O)NC[C@H]2c1cccc(F)c1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQWCKDTMDEETF-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)CCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYJQHLDEQRRRO-UHFFFAOYSA-N", "SMILES:O=c1ccccn1CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYNZQSCZWPDMW-HNNXBMFYSA-N", "SMILES:C[C@@H](CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)n1ccccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDNPWHCTGQTER-ZDUSSCGKSA-N", "SMILES:C[C@@H](C(=O)N1CCC(F)(F)C1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJNRPEOPDMWAJZ-MSOLQXFVSA-N", "SMILES:C[C@@H]1CN(C(=O)[C@H](C)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHBIHRRXGDKSD-AWEZNQCLSA-N", "SMILES:C[C@@H](C(=O)N1CCOCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGYALAQMWXBLEB-GJZGRUSLSA-N", "SMILES:C[C@H]1CN(C(=O)[C@H](C)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGYALAQMWXBLEB-CABCVRRESA-N", "SMILES:C[C@@H]1CN(C(=O)[C@H](C)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEKYUEZOXULJSB-HNNXBMFYSA-N", "SMILES:C[C@@H](C(=O)N1CCNC(C)(C)C1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHOJOWSNAJQLGJ-HOTGVXAUSA-N", "SMILES:CC[C@H]1CN(C(=O)[C@H](C)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRQUDOGWPZXZKY-CABCVRRESA-N", "SMILES:C[C@@H]1CNCCN1C(=O)[C@H](C)N1CCC(n2c(=O)[nH]c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPPVRZWNRKLJH-XHSDSOJGSA-N", "SMILES:C[C@@H]1CN(C(=O)[C@H](C)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPPVRZWNRKLJH-OAGGEKHMSA-N", "SMILES:C[C@@H]1CN(C(=O)[C@H](C)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C[C@@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFKXAYJUFUZBMA-INIZCTEOSA-N", "SMILES:C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRSFSNBYZMOIBU-URFMBUMFSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCC2(CCc4ccccc4C2)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRSFSNBYZMOIBU-RCXVBCEZSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@@]2(CCc4ccccc4C2)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRSFSNBYZMOIBU-ZDQHWEPJSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4ccccc4C2)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRFWNEBUKRLYDL-BVOGOJNSSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2C[C@@H](C)[C@H](c2c(F)c(N)cc(C)c2C(F)(F)F)C3)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZYVXVIHYEWRM-BVOGOJNSSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2C[C@@H](C)[C@H](c2nc(N)cc(C)c2C(F)(F)F)C3)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFHHSQNNGXFEMZ-SMAWTLEESA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2C[C@@H](C)[C@H](c2cc(O)cc4ccccc24)C3)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZRZEEUJBJSHEU-FUMNGEBKSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2C[C@@H](C)[C@H](c2c(C(F)(F)F)ccc(N)c2F)C3)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFYNXYQEJRILLB-NJMXUBAQSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3C[C@H](F)CN3C)nc3c2C[C@@H](C)[C@H](c2cc(O)cc4ccccc24)C3)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRRIEBSQCWUQBF-UNMCSNQZSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OCc3cn(C)cn3)nc3c2CC[C@H](c2cc(O)cc4ccccc24)C3)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1974529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPKIWAFGQFJCX-PCLIKHOPSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C)cc1C)c1ccc2c(c1)Nc1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFYMAMXFQGFEX-JFLMPSFJSA-N", "SMILES:C/C(=N\\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)Nc1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWMVTFXRKZGXMA-OEAKJJBVSA-N", "SMILES:C/C(=N\\NC(=O)c1ccccc1)c1ccc2c(c1)Nc1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDKRNFYQQFFOTN-UHFFFAOYSA-N", "SMILES:CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cnc(-c3ccccn3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUNVBUDHLMJURG-CYBMUJFWSA-N", "SMILES:Cc1nn([C@H](C)c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEMCRBLNKJMGP-LLVKDONJSA-N", "SMILES:C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3cnccn3)on2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYYCROZTNZWKDJ-CYBMUJFWSA-N", "SMILES:Cc1c(C(=O)Nc2cnn([C@H](C)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)noc1-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMTXUPFJHOIWKY-NSHDSACASA-N", "SMILES:C[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDPLLBDGSNYIY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cc(-c2ccccn2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWNDTMQCQCITD-GFCCVEGCSA-N", "SMILES:C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)no2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMOWUSPHXQKMAK-LLVKDONJSA-N", "SMILES:C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2nnc(-c3ccccn3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFWBKPEAQZWHV-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1nnc(-c2ccccn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFYKNNJLPPHKKE-LBPRGKRZSA-N", "SMILES:C[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTLPSCAQVIJST-GFCCVEGCSA-N", "SMILES:C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cn(-c3ccccn3)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTDYOXTXGBHEG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cc(-c2ccco2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNDMZZNOIOKKS-MKWZPUSRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCC#Cc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O"]}
{"name": "NAD kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4523411"], "id": "UniProtKB:Q8Y8D7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:169963"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQEPCCOATFPPEE-NKHQNCDQSA-N", "SMILES:NC[C@H]1O[C@@H](n2c(SCC(=O)NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGSYXPCXDPYUKS-MKWZPUSRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC#Cc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWAKFOKHOTDLO-UUOKFMHZSA-N", "SMILES:NC[C@H]1O[C@@H](n2c(Br)nc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOQCJKDKTNETGZ-XMMPIXPASA-N", "SMILES:Cn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOQCJKDKTNETGZ-DEOSSOPVSA-N", "SMILES:Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEHOGXMZJOOBLE-HHHXNRCGSA-N", "SMILES:COc1ccc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEHOGXMZJOOBLE-MHZLTWQESA-N", "SMILES:COc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBWCVPATVDDQB-HHHXNRCGSA-N", "SMILES:Cn1ccc2ccc(-c3cc(N[C@H](c4cccnc4)c4ccc(=O)[nH]c4)cc4nccnc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBWCVPATVDDQB-MHZLTWQESA-N", "SMILES:Cn1ccc2ccc(-c3cc(N[C@@H](c4cccnc4)c4ccc(=O)[nH]c4)cc4nccnc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBWCVPATVDDQB-UHFFFAOYSA-N", "SMILES:Cn1ccc2ccc(-c3cc(NC(c4cccnc4)c4ccc(=O)[nH]c4)cc4nccnc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBBUJUUODZDTIM-NDEPHWFRSA-N", "SMILES:COc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZUHOFZPDUAMNB-AREMUKBSSA-N", "SMILES:COc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZUHOFZPDUAMNB-SANMLTNESA-N", "SMILES:COc1ccc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZUHOFZPDUAMNB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMBDRWCPHIFSER-VWLOTQADSA-N", "SMILES:Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cncn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMBDRWCPHIFSER-RUZDIDTESA-N", "SMILES:Cn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cncn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXPRXHGHVQUIA-DEOSSOPVSA-N", "SMILES:Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2nccn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXPRXHGHVQUIA-XMMPIXPASA-N", "SMILES:Cn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2nccn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUGCOOPFHNAQML-SANMLTNESA-N", "SMILES:Cn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUGCOOPFHNAQML-AREMUKBSSA-N", "SMILES:Cn1cc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUANCCZVALMHE-RUZDIDTESA-N", "SMILES:CC(C)[C@@H](Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCKUPHLXKMMWRJ-JOCHJYFZSA-N", "SMILES:Cn1cc([C@@H](Nc2cc(-c3ccc4ocnc4c3)c3nccnc3c2)c2cnnn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCKUPHLXKMMWRJ-QFIPXVFZSA-N", "SMILES:Cn1cc([C@H](Nc2cc(-c3ccc4ocnc4c3)c3nccnc3c2)c2cnnn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUANCCZVALMHE-VWLOTQADSA-N", "SMILES:CC(C)[C@H](Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCMXELHNWKWJED-VWLOTQADSA-N", "SMILES:Cn1cc([C@@H](Nc2cc(-c3cnc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCMXELHNWKWJED-RUZDIDTESA-N", "SMILES:Cn1cc([C@H](Nc2cc(-c3cnc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUAJNDMESMVYOP-RUZDIDTESA-N", "SMILES:Cn1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUAJNDMESMVYOP-VWLOTQADSA-N", "SMILES:Cn1ccc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRCGBYNVBFVRTN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEJTDIMOQEDOI-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1cccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNQLFMVHSLKDA-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4=CCN(Cc5ccccc5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPIXBQZVTHSFRC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOVQDNYVQUHTJ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(Cc5csc(-c6ccccc6)n5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYCCKBFDVHSHR-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(Cc5nc(-c6ccccc6)c[nH]5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTYZYMTQXDXLK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQGNDGYLIQHKA-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKGDUSFGBNXRX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)n1)c1ncc(NC2(CO)CC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJJXAXKWCCZNU-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNKWSBRGMQHKIM-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ncc(N4C(=O)OCC4(C)C)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZXZAXIOLEMBP-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ncc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJXIJDIBJSLOX-SFHVURJKSA-N", "SMILES:C[C@H]1CCN(c2cccc(NC(=O)c3ncc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKUXPQSTSRIEPU-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZWHZKABUFFBU-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)N(c2cccc(NC(=O)c3ncc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDYTMIALYYHRE-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(CO)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFAIQBKFWRZSNW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC3(CO)CC3)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNZVRGQGLPFPGM-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(C(C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWRVITBYWWGEFW-OALUTQOASA-N", "SMILES:C[C@H]1CN(c2cccc(NC(=O)c3ncc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRFCKBCZQNLITF-ROUUACIJSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(N3C[C@@H]4C[C@H]3CO4)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKSQGJBQBCKGX-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cc(Cl)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYBHFDOUDLDBFO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBYIGAJFLGJTH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ncc(NC(O)C(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTGFSRBIZIEFSE-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASZFFNHIFTDRA-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cc(C#N)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGIWXYKXTUYZKU-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cc(C3CC3)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFQTVDWVLQNBRB-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(N3C(=O)OCC3(C)C)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBPKDROCHUIMX-SFHVURJKSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(N3CCO[C@H](CO)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXECHPRYIWNLFP-QGZVFWFLSA-N", "SMILES:Cc1cc(NC(=O)c2ncc(NS(C)(=O)=O)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJIAUVFHUZYDFI-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(-c3ncco3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRORRKQNFQOYKZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBIRWPIRXPCQK-UHFFFAOYSA-N", "SMILES:COC1CCN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGBEVOGAIUKJM-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFVZKHXMOGKQL-UHFFFAOYSA-N", "SMILES:CC1CN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNNLAQDOCSIHD-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQNTTNHZABRHH-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLJPBPPBFTBMK-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCC(F)(F)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZVUZZPFLCTVKP-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCOC(C)(C)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIXQNGPATWHAV-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCC(O)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFVZKHXMOGKQL-IBGZPJMESA-N", "SMILES:C[C@H]1CN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZDWINPQEICTJT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERGERBNVOSBQY-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3=O)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCPVFJIUGADAF-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)N(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHUSHIHROUCNKG-KDURUIRLSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3C[C@H]4C[C@H]4C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFVZKHXMOGKQL-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODYRRVKOAGXEW-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(C3=CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIHBMBUDKUBYIZ-IBGZPJMESA-N", "SMILES:C[C@H]1CCN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQLRKXQUJOKPL-UHFFFAOYSA-N", "SMILES:CC(O)(c1ccc(C(=O)Nc2cccc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQLRKXQUJOKPL-HSZRJFAPSA-N", "SMILES:C[C@@](O)(c1ccc(C(=O)Nc2cccc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQLRKXQUJOKPL-QHCPKHFHSA-N", "SMILES:C[C@](O)(c1ccc(C(=O)Nc2cccc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVZQYJJDOPRART-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXTAUJNARBEULM-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CC(F)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHAGQJMSHJQNGK-UHFFFAOYSA-N", "SMILES:COC1CN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZCAJFFLLJZRBX-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(C3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GASVFQIUVAOYIB-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NC(C)(CO)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPZFXVKBWJXSTH-UHFFFAOYSA-N", "SMILES:CC(CO)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIXDAMVDBPKVOT-UHFFFAOYSA-N", "SMILES:CC(CO)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCC(F)(F)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRAOJIHWMJHBJV-PMACEKPBSA-N", "SMILES:C[C@H]1CN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMVDTOWHCBGWAC-OALUTQOASA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3C[C@@H]4C[C@H]3CO4)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDUSSUFRURUPY-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cc(Cl)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVZQYJJDOPRART-HSZRJFAPSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@@](C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVZQYJJDOPRART-QHCPKHFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@](C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFZENXWNARLKY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUDMHQISOOEMJE-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cc(C#N)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMSKTOSIFHVDPI-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSVOUFCNPSNEW-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJTUKMZJTKIITC-UHFFFAOYSA-N", "SMILES:CC1(O)CN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)n3)c(N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZLTYPWFINTHM-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cc(C3CC3)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPHBDADSLZYQNH-UHFFFAOYSA-N", "SMILES:CC1(C)COC(=O)N1c1cccc(NC(=O)c2ccc(N3C(=O)OCC3(C)C)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQKTIIJEWMDOZ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJPCYSMIPHJBO-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CC4(COC4)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDSMDTDOYQKUCR-UHFFFAOYSA-N", "SMILES:CC(CO)(CO)Nc1ccc(C(=O)Nc2cccc(Br)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRUQIKJWHUIUJN-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(N4C(=O)OCC4(C)C)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACFYFFFFZJVJK-YDONVPIESA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(C)(O)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACFYFFFFZJVJK-IQGLISFBSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc([C@](C)(O)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACFYFFFFZJVJK-CJAUYULYSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc([C@@](C)(O)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGUSENLDQRBPK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)(O)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSGGGWWGIHZCHR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(NC(C)(C)CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDPJIUNOVVORV-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C3(C(F)(F)F)COC(C)(C)O3)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRMMCJZPJZNTL-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(O)(CO)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSRSFKRISAJXTK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(F)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPYULFNAXMTPQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(CO)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRMMCJZPJZNTL-XMMPIXPASA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@](O)(CO)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRMMCJZPJZNTL-DEOSSOPVSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@@](O)(CO)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGUSENLDQRBPK-DEOSSOPVSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@@](C)(O)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGUSENLDQRBPK-XMMPIXPASA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@](C)(O)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQVNPREVVLJLB-LJQANCHMSA-N", "SMILES:C[C@@H]1COCCN1c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCGUFGOBEQTDON-UHFFFAOYSA-N", "SMILES:CC1(C)OCC(c2ccc(C(=O)Nc3cccc(N4CCOCC4)n3)c(N3CCC4(CC3)CC4)n2)(C(F)(F)F)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBQBHZVCOAZMX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(N2CCOCC2)n1)c1ccc(C(O)(CO)C(F)(F)F)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BERIQXZPICWUTQ-SMFUYQKNSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(O)(CO)C(F)(F)F)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQVNPREVVLJLB-IBGZPJMESA-N", "SMILES:C[C@H]1COCCN1c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVRFQVAZUAJNF-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC(C)(CO)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTQVESIGLNNMO-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMIVWTZPDACZSN-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCOC(C(C)(C)O)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHCPZGJSYYLRRY-UXHICEINSA-N", "SMILES:C[C@@H]1CO[C@@H](C)CN1c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQILCZGGKAAWOK-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUNHWHOJJBHHO-IBGZPJMESA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCO[C@H](CO)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCHYIWGWFWGLHF-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCN(C4CC4)CC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIBQUKWJYTMRM-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCN(C4CCC4)CC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUROUWGGSDWFD-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCSUXMMGAONEJ-UHFFFAOYSA-N", "SMILES:COC(=O)C(F)(C(=O)OC)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRFYMACNWHHZNK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)(CO)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGOTUVGVEPCLOT-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)CO)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKUWNNANEPLFNH-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(F)(CO)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQXVMCRZZRTQJS-DUSLRRAJSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(F)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLTXGNOMBOVBTI-GOSISDBHSA-N", "SMILES:COC(=O)C(F)(C(=O)OC)c1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHCPZGJSYYLRRY-PMACEKPBSA-N", "SMILES:C[C@H]1CN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)[C@@H](C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDGAVMZAKDILP-HXUWFJFHSA-N", "SMILES:COCC(C)(C)Nc1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBQBHZVCOAZMX-XMMPIXPASA-N", "SMILES:O=C(Nc1cccc(N2CCOCC2)n1)c1ccc([C@](O)(CO)C(F)(F)F)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBQBHZVCOAZMX-DEOSSOPVSA-N", "SMILES:O=C(Nc1cccc(N2CCOCC2)n1)c1ccc([C@@](O)(CO)C(F)(F)F)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPLGCZKPZINBGC-UHFFFAOYSA-N", "SMILES:CC(C)C1CN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABOFYMPQFWCEZ-UHFFFAOYSA-N", "SMILES:CCC1CN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIGMKGXOBLISCA-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCOC(C(F)(F)F)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BERIQXZPICWUTQ-NSYGIPOTSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc([C@@](O)(CO)C(F)(F)F)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BERIQXZPICWUTQ-CRICUBBOSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc([C@](O)(CO)C(F)(F)F)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAVBDXRFJAYOHG-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(OCC(N)(CO)C(F)(F)F)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOBCHVBAIMAWES-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(OCCC(C)(C)N)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUKDMXLQAUIWEF-FQEVSTJZSA-N", "SMILES:CC(C)(CCO)Nc1ccc(C(=O)Nc2cccc(N3CCO[C@H](CO)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYYHLTXUMWMQH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC(C)(C)CCO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGVQGWYONLMOT-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(N3CC(O)CC3(C)C)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAMNRAHQXNOBSV-VQCQRNETSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(N4CC(O)CC4(C)C)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBJQZYFBVLXULG-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NC(C)(C)CCO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZGXPNCABQRYHB-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCC(O)CC3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVSZNKEGAXPHH-LJQANCHMSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCC[C@@H](O)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWDHCHUCJOMLM-ACVCQEAVSA-N", "SMILES:COCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCVRIADGAIOEE-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(C)(=O)=O)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCPPUOFULMOSG-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CC(O)CC3(C)C)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUVVAZFSORCPN-FQEVSTJZSA-N", "SMILES:CC1(C)COC(=O)N1c1ccc(C(=O)Nc2cccc(N3CC[C@H](O)C3(C)C)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZTGRBCVJWBMJJ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCC(O)C3(C)C)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQVWYPIPCAWQW-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NC(CO)(CO)CO)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCFMGHZRLCURQI-QGZVFWFLSA-N", "SMILES:CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDLVGLGTFOIFGC-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(N)(=O)=O)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZQOVFFRWWDTBN-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPSDNXXNMQIGIF-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(NCCO)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAOCZDWXGXMHCH-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCC[C@@H](O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVSZNKEGAXPHH-IBGZPJMESA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCC[C@H](O)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRXKULVNWXULX-UHFFFAOYSA-N", "SMILES:CC1(O)CCCN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRVOFYHTWSOKLB-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC(O)(CO)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGRNYEFOKSKNPE-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3(C)CO)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMYBHFOUCRWHNK-UHFFFAOYSA-N", "SMILES:CN(C(=O)OC(C)(C)C)C1CCCN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHLZHFLEIHRUQJ-UHFFFAOYSA-N", "SMILES:CNC1CCCN(c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUUBBVOVHSXNHL-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC(NC(=O)OC(C)(C)C)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGXRKXUHWUGPJS-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCOC(CN)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGXITWCGGBTNAJ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC(N)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJWWEFZLLYTQQ-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3cnc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPTSOALRCIQBGY-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(C)(=O)=O)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KADOQPNOGBUUSE-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(CS(C)(=O)=O)nc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYGHPZGWWHXPY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(CS(C)(=O)=O)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFYMGIQOJYGGBW-LJQANCHMSA-N", "SMILES:CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(N3CCC[C@@H](O)C3)n2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDYUHUTPQJQLJ-SMFUYQKNSA-N", "SMILES:O=C(Nc1cccc(N2CCC[C@@H](O)C2)n1)c1ccc(C(O)(CO)C(F)(F)F)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMNMSBJYYNWMT-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3cnc(NC(C)(C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSXQTKQYBEMQD-MRTLOADZSA-N", "SMILES:CC(c1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJGOICMRASFWBI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1N1CCC2(CC1)CC2)c1cccc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWUSSNVXDYKIMP-UHFFFAOYSA-N", "SMILES:CC(O)(c1ccc(NC(=O)c2cccc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPKQMPVPAGQLD-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2nc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)ccc2F)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNLCXWRQGGBQAZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2)c1cccc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYRQYPBFZLKKF-ZETCQYMHSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUCPKCPJIKWYEE-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(C(C)Sc3nncn3C)cc(N)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOVJKQTZTZBOBN-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYOOTUPLKWBDU-AWEZNQCLSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc3ccccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYOOTUPLKWBDU-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2cc3ccccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTKAYDPLPHEHG-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTKAYDPLPHEHG-AWEZNQCLSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLVQGNABQFPPX-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2cnc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICAOWOQPEQOHOJ-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2ccc3ccc(Cl)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FORKNCYJBFLKNQ-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2cnc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISDNPUWYAOOAGS-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2ccc3cccnc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHFKZNBHESXJHR-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2cc3ccncc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QERYJLDOITZYLY-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2ccc3ncccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJYVZPCPFAVLTH-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2ccc3c(n2)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJOSTRXLHSHAEA-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2cc3c(cn2)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVASHHCZDGHHL-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2cc3ccc(Cl)cc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNOTGHHHWRSTJ-HNNXBMFYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYIRKFGAXMNHEA-ZDUSSCGKSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEGGGNDOUWOFNM-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJALKKDAWIENQW-HNNXBMFYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTZQJNVHNPOLB-HNNXBMFYSA-N", "SMILES:CC(C)c1cccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEOGOOGZVLEECC-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKHHJLNAGMVSD-AWEZNQCLSA-N", "SMILES:CC(C)c1cccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQBNNWRZUBCTKL-LBPRGKRZSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXVCAYURAOZQO-AWEZNQCLSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNLAWQLPPHMHZ-AWEZNQCLSA-N", "SMILES:Cc1cnc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVXDFLDMKBTYMP-AWEZNQCLSA-N", "SMILES:CC(C)c1ccnc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGARJGPKCYCVDZ-LBPRGKRZSA-N", "SMILES:COc1cccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNMHCUFSRHYIS-LBPRGKRZSA-N", "SMILES:Cc1nc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVLEMGWKPHABU-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)c(Cl)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMDQIOMACWOQZ-LLVKDONJSA-N", "SMILES:C[C@@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMDQIOMACWOQZ-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAPSZMLICEUAC-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1ccc(F)c(NC(=O)c2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNSBJHWCYCCWGT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)Sc2nncn2C)cc1NC(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQNJNLCWWZWAS-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nnc[nH]1)c1cccc(NC(=O)c2cc3ccccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNBAJXAJNWRHJ-HNNXBMFYSA-N", "SMILES:C[C@H](Sc1nncn1C1CC1)c1cccc(NC(=O)c2cc3ccccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPYWRCQEUYVOBC-UHFFFAOYSA-N", "SMILES:CC(Sc1nccn1C)c1cccc(NC(=O)c2cc3ccccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTSSMOJLIJATO-UHFFFAOYSA-N", "SMILES:CC(Sc1nccn1C)c1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOPWCAXWDEVRF-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOPWCAXWDEVRF-SNVBAGLBSA-N", "SMILES:C[C@@H](Sc1nncn1C)c1ccnc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZDHHAKMWVOPE-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXJPYWZTSLTJJ-UHFFFAOYSA-N", "SMILES:CCOCC(Sc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEHWQVMZPOTMRM-UHFFFAOYSA-N", "SMILES:C=CCC(Sc1nncn1C)c1cccc(NC(=O)c2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAQHZUWFFBGXRB-UHFFFAOYSA-N", "SMILES:C=CCC(Sc1nncn1C)c1cccc(NC(=O)c2cc3ccccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMLBDMGESZRQPN-UHFFFAOYSA-N", "SMILES:CCC(Sc1nncn1C)c1cccc(NC(=O)c2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWILYWSLTSIIPE-UHFFFAOYSA-N", "SMILES:CCC(Sc1nncn1C)c1cccc(NC(=O)c2cc3ccccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNVQXNUSMYTDT-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(N2Cc3ccccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KACBQCHNWYCABK-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(N2Cc3ccc(Cl)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGVZGLYUYXZAW-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUZBINMAORTOY-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1ccnc(N2Cc3ccccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYOOTUPLKWBDU-CQSZACIVSA-N", "SMILES:C[C@@H](Sc1nncn1C)c1cccc(NC(=O)c2cc3ccccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJIKRDSGCGLTMY-JTQLQIEISA-N", "SMILES:Cc1nc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFCGNFSYKXKLF-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTZRJIJDSLJECD-LBPRGKRZSA-N", "SMILES:COc1c(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBXKPXDXZGMNFZ-AWEZNQCLSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(-c3ccn[nH]3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXYBUJIWQBFEIV-HNNXBMFYSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(-c3ccnn3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYFNTCXSBCBNGB-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(CCO)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZUUMODCSKKFAD-ZDUSSCGKSA-N", "SMILES:CNc1cccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHJCULSZIREOL-HNNXBMFYSA-N", "SMILES:Cc1cccc2nc(C(=O)Nc3cccc([C@H](C)Sc4nncn4C)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRKRUDDLXFCBH-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)ccc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJIILVPAIKFSC-LBPRGKRZSA-N", "SMILES:CC1=CC(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)=NC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMIBPBBJJFKGY-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLANVONRCPWSZ-LBPRGKRZSA-N", "SMILES:Cc1cnc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQRSRPFLBESTI-AWEZNQCLSA-N", "SMILES:Cc1cnc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSHHMHALDKPKN-AWEZNQCLSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AINFRUDSGCIIPZ-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(C)(C)O)c(Cl)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCIOQUIPRNXTN-AWEZNQCLSA-N", "SMILES:Cc1cc(C)nc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNRGDGJNXXBHU-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIHVMSQPIZRQMT-LBPRGKRZSA-N", "SMILES:CC(=O)Nc1ccnc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCQCQQVFIQCLH-LBPRGKRZSA-N", "SMILES:CNc1ccnc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFFAOJHHWBPQW-LBPRGKRZSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZNXZEGMIKLXJL-AWEZNQCLSA-N", "SMILES:COc1nc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFCDZYAHJMNZEE-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc3ccccc3c(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKDNALMEDWOOP-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YABGZGVNAGSHMF-LBPRGKRZSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRGBEUFIOCCTDD-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)cc(Cl)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVDELLVVOVTEQ-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C3CC3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYNOCBTDWUWSX-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(Cl)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBXQIXOJYKHSR-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)cc(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANDBJLRLQXRQRG-ZDUSSCGKSA-N", "SMILES:Cc1ncc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBKZNMQEORIOT-NSHDSACASA-N", "SMILES:COc1cc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWFHZSSTUDDEIF-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVANWEJQOKJHJE-NSHDSACASA-N", "SMILES:COc1cc(C(F)(F)F)cc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QINWUZNHNAVOCS-VIFPVBQESA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJNDCTYZJDIFO-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2ccnc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLTYLYWZQABRHF-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2ccnc(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHJSJMMOWNIOA-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cncc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYTLLTQUKRMFNX-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc3c(Cl)cccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQLLWYDGORXMB-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(OC(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLHZPWMHAQGMA-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(S(C)(=O)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSXOIHBMABFVGZ-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(C(C)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJUUNBVJRDIAM-LBPRGKRZSA-N", "SMILES:Cc1cncc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXLDKYRRTVVFL-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNCJSCOXNEUHA-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C3(O)COC3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGDFQWAVRPLYQN-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(C)(C)O)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEEVUMLZIWCBRC-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(NS(=O)(=O)CCO)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYJADIWLTKOONE-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc(CF)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBZCUCXAHXDNOI-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cccc3scnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBBDIITQZXIIR-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2ccc(CO)c(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJGHFVZZHQTZAQ-ZDUSSCGKSA-N", "SMILES:CCOc1cccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VULGZHCAUCCOEE-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2ccc(F)c(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBRGSQEYAKYFM-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2ccc(C#N)c(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STXZVRVYVCVCMD-ZDUSSCGKSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLFWUDARKICCN-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1ccc(OC(F)(F)F)c(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSBDFZEBZBCSD-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSBDFZEBZBCSD-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSBDFZEBZBCSD-SNVBAGLBSA-N", "SMILES:C[C@@H](Sc1nncn1C)c1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAPSZMLICEUAC-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccc(F)c(NC(=O)c2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMLRYNFRBQSJM-NSHDSACASA-N", "SMILES:Cc1cc(C(=O)Nc2cc([C@H](C)Sc3nncn3C)ccn2)nc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYAWKMDDOATPIN-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cc(C3CC3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHIHOZFEHSOAE-VIFPVBQESA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cc(Cl)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBCGOKDJRJOGCQ-VIFPVBQESA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2ccc(Cl)c(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYKQHZNSFPXBGH-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2ccc3cccc(F)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIVGQRBTYBRAX-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2ccc3c(n2)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCDGIQMURLVOC-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cc3c(cn2)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGPVFRDDKAVLX-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cccc(C(C)(C)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHQBOUNVLWDIDI-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cc(C(F)(F)F)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYUJFQWKSASKR-ZDUSSCGKSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc([C@H](C)Sc3nncn3C)ccn2)nc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGPYZCMGOUOSS-VIFPVBQESA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cc(C(F)(F)F)c(Cl)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPLDSWPCTGKUFN-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2noc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNCLHKEOWGVKX-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBYMISDIUVEWEM-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cccc(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHLQXFABGYBILM-QMMMGPOBSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2csc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAAPUTGPGCFTCK-VIFPVBQESA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cc(Br)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPXTKKNCLYKGL-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cc3c(C(F)(F)F)cccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBIINWCSZQXOM-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZUEPYKHNHSFE-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cccc(OC(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEZMQNPTCDRIOH-LBPRGKRZSA-N", "SMILES:CCc1cccc(C(=O)Nc2cc([C@H](C)Sc3nncn3C)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSXEMSRENNRGB-JTQLQIEISA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cccc(Cl)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCMVFSZLNYZQDT-JTQLQIEISA-N", "SMILES:COc1nc(C(=O)Nc2cc([C@H](C)Sc3nncn3C)ccn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGIVGXLIVHLOHT-WFASDCNBSA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(NC(=O)c2cc(N3CC[C@H](O)C3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYZIZFMFWUSBP-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cncc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZHVDRERXUYIQ-AWEZNQCLSA-N", "SMILES:Cc1c[nH]nc1S[C@@H](C)c1ccnc(NC(=O)c2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARLDWVZVEHNMCI-JTQLQIEISA-N", "SMILES:Cc1nc2cc([C@H](C)Sc3nncn3C)cc(NC(=O)c3cccc(C(F)(F)F)n3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWGLEDOBISMOIB-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cc(NC(=O)c2ccc3ccccc3n2)c2c(c1)C(C)(O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTFURVRMAQFVTG-HNNXBMFYSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCCC3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESKTDTZYFEGET-KBXCAEBGSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESKTDTZYFEGET-KSSFIOAISA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCLGIOUFQASCW-HNAYVOBHSA-N", "SMILES:CO[C@@H]1CCN(C(=O)c2ccnc(C(=O)Nc3cccc([C@H](C)Sc4nncn4C)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWPNGJTRJZDKJ-AWEZNQCLSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPQQXNRPAKYKK-INIZCTEOSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCCCC3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIWJGBCHJGEPR-HNNXBMFYSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC(O)CC3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIAOICCYHUTCIB-WMLDXEAASA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@@H](N)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIAOICCYHUTCIB-YOEHRIQHSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@H](N)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVPZMDKCWGJJW-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC(O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOOUXEJLCVFIHQ-HNAYVOBHSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC[C@@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOOUXEJLCVFIHQ-KXBFYZLASA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC[C@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFWBNFWZJNLPH-YZVOILCLSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@H](O)C[C@@H]3C)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFWBNFWZJNLPH-VCBZYWHSSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@H]3C)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFWBNFWZJNLPH-ZRGWGRIASA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@H](O)C[C@H]3C)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFWBNFWZJNLPH-DOXZYTNZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@@H]3C)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXRYCDQQHKZKSC-AGRHKRQWSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@H](O)[C@@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMCYZLBKKPKDHL-KGLIPLIRSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)NC[C@@H](C)O)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMCYZLBKKPKDHL-KBPBESRZSA-N", "SMILES:C[C@H](O)CNC(=O)c1ccnc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGQXJWWGVSPPF-FUKCDUGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC(S(C)(=O)=O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCYDGILMROAWBK-OXJNMPFZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@@H](N(C)C)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCYDGILMROAWBK-JXFKEZNVSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@H](N(C)C)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESKTDTZYFEGET-RDTXWAMCSA-N", "SMILES:C[C@@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSFAHOJJSYHHU-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(N2Cc3cc(Cl)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUSFMBAOJDLOX-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(N2Cc3ccc(C(C)(C)O)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGVZGLYUYXZAW-LBPRGKRZSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGVZGLYUYXZAW-GFCCVEGCSA-N", "SMILES:C[C@@H](Sc1nncn1C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCVXPHNVJSVMK-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(N2Cc3c(ccnc3Cl)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHEDVMQTSHMXJP-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1cc(F)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHEDVMQTSHMXJP-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cc(F)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHEDVMQTSHMXJP-LLVKDONJSA-N", "SMILES:C[C@@H](Sc1nncn1C)c1cc(F)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYMUYMXZLMQSZ-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccc(F)c(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTZQLJWAOOITP-NSHDSACASA-N", "SMILES:C[C@H](Sc1nncn1C)c1ccnc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTZQLJWAOOITP-LLVKDONJSA-N", "SMILES:C[C@@H](Sc1nncn1C)c1ccnc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFIOFRHKJMGFOR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)C(=O)N(c1cc(C(C)Sc3nncn3C)ccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHRPQRFYZHAHJ-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cc(NCCO)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVYNXBCWWDPRSG-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cc(N)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUEYUIOKLGZTPK-UHFFFAOYSA-N", "SMILES:CC(CO)Nc1cc(C(C)Sc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAMSFNXDOCOIHG-UEWDXFNNSA-N", "SMILES:CC(Sc1nncn1C)c1cc(NC[C@H](C)O)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSEVEUCBWUVMDH-UHFFFAOYSA-N", "SMILES:CCNc1cc(C(C)Sc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGYNWFGAZRPQEW-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cc(NC2CCOC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVVRZATRQMMGZ-UHFFFAOYSA-N", "SMILES:CNc1cc(C(C)Sc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTRRAWGMRTWEPY-UHFFFAOYSA-N", "SMILES:Cn1cnnc1SC(CCO)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUJCQYELNGDPC-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc3ccccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VROXAXIAENSXCM-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VROXAXIAENSXCM-LBPRGKRZSA-N", "SMILES:C[C@@H](Cc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJWZYMYQBCZHEE-LBPRGKRZSA-N", "SMILES:C[C@@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTVTYVVQYPUPO-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cccc(S(C)(=O)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNIFTQDOKIOECZ-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(C)(C)O)c(Cl)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRIJVSADVZZVAH-LLVKDONJSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2ccnc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDYQXNLCBLIAJ-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)CO)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJSASZWIHHDLR-LLVKDONJSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cncc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGOTCSPPUSINK-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C3(O)COC3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFTILDXTYWLQKY-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C3CC3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGLZBUMIXIAEP-GFCCVEGCSA-N", "SMILES:COc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUUBRUCCOPEOIF-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C3CC3)nc(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFTHOVZOJVZVGO-LLVKDONJSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZXKWROQQPFRET-CYBMUJFWSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQTCYZMFLJMMQW-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc3c(C(F)(F)F)cccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJCPVKVNILKKTL-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2ccn(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHSVVDSFISWJBW-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(S(C)(=O)=O)cc(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPICJTQHXZLEFH-HNNXBMFYSA-N", "SMILES:CCn1cnnc1C[C@H](C)c1cccc(NC(=O)c2cc(S(C)(=O)=O)cc(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMXDDSSNLVNRJ-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2ccnc(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQHDXJBFXIMOO-LLVKDONJSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(S(N)(=O)=O)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDAYJPAPLCPOH-GFCCVEGCSA-N", "SMILES:CNS(=O)(=O)c1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZSJBIYBVBOUGA-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cccc(CCO)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMOIXOCOKJECD-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2ccc(CO)c(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKTYMRSPUDUDR-ZTNFWEORSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(N[C@@H]3CC[C@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDBZGPIKISDJR-ATZDWAIDSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(O[C@@H]3CC[C@@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDBZGPIKISDJR-LZQZEXGQSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(O[C@H]3CC[C@@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDBZGPIKISDJR-AYOQOUSVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(O[C@@H]3CC[C@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKTYMRSPUDUDR-MOXGXCLJSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(N[C@H]3CC[C@@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUFNIPMUBUGTB-GMUIIQOCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc3cc(N4CCN(C)C(=O)C4)ccc3cn2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUFNIPMUBUGTB-FERBBOLQSA-N", "SMILES:C[C@@H](Cc1nncn1C)c1cccc(NC(=O)c2cc3cc(N4CCN(C)C(=O)C4)ccc3cn2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUJZMADKQQIZGN-FSRHSHDFSA-N", "SMILES:CC(=O)N1CCN(c2ccc3cnc(C(=O)Nc4cccc([C@H](C)Cc5nncn5C)c4)cc3c2)CC1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMFNEQLZPGYNNU-CQSZACIVSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc([C@H](C)Cc3nnc[nH]3)c2)nc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPDBPLAUQFPGS-LLVKDONJSA-N", "SMILES:Cc1conc1C[C@@H](C)c1cccc(NC(=O)c2ccnc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPDBPLAUQFPGS-NSHDSACASA-N", "SMILES:Cc1conc1C[C@H](C)c1cccc(NC(=O)c2ccnc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKQNNOSFJBTKAC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(C)Cc3nccn3C)c2)nc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFBXCYDFTXXHP-UHFFFAOYSA-N", "SMILES:Cc1ccnn1CC(C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCWYBXYEAFMRA-UHFFFAOYSA-N", "SMILES:Cc1ccn(CC(C)c2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWWARLZNLFKDH-UHFFFAOYSA-N", "SMILES:Cc1cnnn1CC(C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSCVTAVFVUHFK-UHFFFAOYSA-N", "SMILES:CC(Cn1[nH]cnc1=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUECHCMBDSQAOX-IBYPIGCZSA-N", "SMILES:CC(Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@H](O)C3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUECHCMBDSQAOX-KSSFIOAISA-N", "SMILES:C[C@@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@H](O)C3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFHBXQRTSFHMCM-GYCJOSAFSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@](C)(O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNKFNQKSYJVTOE-GUXCAODWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@@H]3C)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNKFNQKSYJVTOE-QINHECLXSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@H]3C)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJVLMDWWVMUDDP-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC(S(C)(=O)=O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJPOOYKBDIXYKB-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)NCC(C)(C)O)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVPXJFMOTZBBE-QGZVFWFLSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC(C)(O)CC3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUMSMNLKJVIESQ-NYRJJRHWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)NC3CCOC3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOKWFEOWLDFDOO-GYCJOSAFSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@](C)(N)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFKZHYHFXSGTQ-AKYVXKJQSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@@](C)(N)C3)ccn2)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTQHYDXVXIVHN-UJONTBEJSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC(O)C3(C)C)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWABAFVLSODUKM-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC(CO)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWKPGIFEFWKYFW-QGZVFWFLSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC4(COC4)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKVZNWRRTOXNBA-JNEVIBOXSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H]4[C@@H](O)[C@@H]4C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCWRXOITSPLLM-WNYOCNMUSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@H](O)[C@@H](F)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFNCEKJKJJCMQ-IAGOWNOFSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@H](C#N)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBLMVZXCEYXGDL-SMFUYQKNSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC4(CCO4)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFNCEKJKJJCMQ-SJORKVTESA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@@H](C#N)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVLSSXFDAINLL-UJONTBEJSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC(O)C(C)(C)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCWRXOITSPLLM-LXGCGDOSSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)[C@H](F)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJQWRDKSDJZNN-AAFJCEBUSA-N", "SMILES:CC(O)C1CN(C(=O)c2ccnc(C(=O)Nc3cccc([C@H](C)Cc4nncn4C)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCOXRPDZRFUMCN-MRXNPFEDSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCNCC3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKCTHPVUBLCOU-MJTSIZKDSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC(O)C(F)(F)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMSHIRYHBPSNX-OAHLLOKOSA-N", "SMILES:CNCCNC(=O)c1ccnc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXFBLINGNRXVKH-TZHYSIJRSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC(CO)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCWRXOITSPLLM-DJKXOVBDSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](F)[C@@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOAPHVMUQATCR-DNVCBOLYSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N[C@@H]3CCNC3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOAPHVMUQATCR-BEFAXECRSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N[C@H]3CCNC3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGBMWTKHANJZHA-OXQOHEQNSA-N", "SMILES:CN[C@@H]1CCN(C(=O)c2ccnc(C(=O)Nc3cccc([C@H](C)Cc4nncn4C)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGBMWTKHANJZHA-UZLBHIALSA-N", "SMILES:CN[C@H]1CCN(C(=O)c2ccnc(C(=O)Nc3cccc([C@H](C)Cc4nncn4C)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGDJJMDZGJXPL-LZJOCLMNSA-N", "SMILES:CCn1cnnc1C[C@@H](C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@H]3C)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZBNTUYZFWEFT-FZCLLLDFSA-N", "SMILES:CC(Cc1nccn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZBNTUYZFWEFT-UZLBHIALSA-N", "SMILES:C[C@H](Cc1nccn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@H](O)C3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPRNPDCQLMQUMN-LZJOCLMNSA-N", "SMILES:C[C@H](Cc1nccn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@H]3C)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFACQWFXERQQKI-BEFAXECRSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@H](O)C3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFVJTYKUDGWFW-BTQNPOSSSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBAXELSNHQTPCH-ZDUSSCGKSA-N", "SMILES:C[C@@H](Cc1nncn1C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGWBVNJQOZUSI-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(Br)cccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNORYTFXUMAIGU-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(ccnc3C3CC3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUUMUKJTZRCIR-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(ccnc3C3CCC3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDIZERJKZSIYIG-OAHLLOKOSA-N", "SMILES:CC(C)c1nccc2c1CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAJXJIWMFGNIGT-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C4CC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTVHXXXZXPRCS-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1ncco1)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPBLMWGXFXXMX-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nnc[nH]1)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGIQKAZXNQFVCQ-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1ncn(C)n1)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBDORBZUIMDFV-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1ncnn1C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGDQRVIEQNEKI-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C1CC1)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUGDFBXYXWCOEQ-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nnco1)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCARDRWLYFKTL-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nccn1C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCARDRWLYFKTL-UHFFFAOYSA-N", "SMILES:CC(Cc1nccn1C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYUPJQFQJKKTD-UHFFFAOYSA-N", "SMILES:Cc1conc1CC(C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRRGAYTQUJBBS-UHFFFAOYSA-N", "SMILES:CC(Cc1nocc1CO)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMIRANOMNJMBFI-ZDUSSCGKSA-N", "SMILES:Cc1c[nH]nc1C[C@H](C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCSUXBVWUMLPKN-UHFFFAOYSA-N", "SMILES:CC(Cc1n[nH]cc1CO)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCSUXBVWUMLPKN-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1n[nH]cc1CO)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPALOYEDCKAJO-UHFFFAOYSA-N", "SMILES:Cc1[nH]cnc1CC(C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPALOYEDCKAJO-CYBMUJFWSA-N", "SMILES:Cc1[nH]cnc1C[C@@H](C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFOFYPKUCDNTP-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C(=O)O)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELGXGSOLDVWMA-BEFAXECRSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C(=O)N4CC[C@H](O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSLWMFITFOWLS-NJPXWXDWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C(=O)N4C[C@@H](O)C[C@H]4C)cc3C(F)(F)F)C2=O)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOMOMQNPJVDRPT-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C(=O)N4CC(O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKOCHDZBKKAYHZ-VGSWGCGISA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C(=O)N4CC[C@H](O)C4)cc3C3CC3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTFXZQZKGZMEJA-MRXNPFEDSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C(=O)N4CC(O)C4)cc3C3CC3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBBQBDRXIOVNNX-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(-c4ccn[nH]4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPQBKALZTHBZAU-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(N2Cc3c(cccc3C(F)(F)F)C2=O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJRNTJYPBXINU-UHFFFAOYSA-N", "SMILES:CC(Cc1nncn1C)c1cc(F)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUKQYBJXMHNCO-HZPDHXFCSA-N", "SMILES:Cn1cnnc1[C@@H]1C[C@@H]1c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMQEGPWGMYKRR-HOTGVXAUSA-N", "SMILES:Cn1cnnc1[C@H]1CC[C@H]1c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMQEGPWGMYKRR-HZPDHXFCSA-N", "SMILES:Cn1cnnc1[C@@H]1CC[C@@H]1c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQQRBZISYOTWQJ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC(C)(C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMXNAHGGWIHSLM-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC(C)(C)c1cccc(NC(=O)c2ccnc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCTWCPTTQPQJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(C)C(F)(F)c3nncn3C)c2)nc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSSMAEABQURSLV-UHFFFAOYSA-N", "SMILES:CC(c1cccc(NC(=O)c2ccc(CO)c(C3CC3)n2)c1)C(F)(F)c1nncn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFWMSLAEXEOQK-XOBRGWDASA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc([C@H](C)[C@H](O)c3nncn3C)c2)nc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNUOLJCZIDXRV-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC(c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULBPJAXNBOIPF-UHFFFAOYSA-N", "SMILES:COC(Cc1nncn1C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKRBNVAOEKVEGT-UHFFFAOYSA-N", "SMILES:CCOC(Cc1nncn1C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFXOOXJWBIKBZ-DLBZAZTESA-N", "SMILES:Cn1cnnc1[C@H](O)[C@@H](O)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQVRIESWPBYISN-SGTLLEGYSA-N", "SMILES:C[C@@H](c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1)[C@H](F)c1nncn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWLTRFPUGHJDL-UHFFFAOYSA-N", "SMILES:CC(c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1)C(F)(F)c1nncn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZELONPUFYCSBLK-UHFFFAOYSA-N", "SMILES:Cn1cnnc1C(F)(F)C(C)(O)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTAMUFZWOJDMZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1C(F)(F)C(C)(F)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTAMUFZWOJDMZ-LJQANCHMSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTAMUFZWOJDMZ-IBGZPJMESA-N", "SMILES:Cn1cnnc1C(F)(F)[C@@](C)(F)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLRUHBCHHFPIY-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC(C)(O)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAOMMBGZAHNZBY-FQEVSTJZSA-N", "SMILES:Cn1cnnc1C[C@](C)(F)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAOMMBGZAHNZBY-HXUWFJFHSA-N", "SMILES:Cn1cnnc1C[C@@](C)(F)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLAMJQYLPDLKOX-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cccc4C(F)(F)F)C3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEBIVTJQIPRAIN-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC(C)(C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCABTCAGXMVFG-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cccc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJBKPYCOBCMMJB-LLVKDONJSA-N", "SMILES:C[C@H](Cc1nncn1C)c1ccnc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMNPUGLGAADZNG-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1ccnc(NC(=O)c2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJGCXURQSUGWTC-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1ccnc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJGCXURQSUGWTC-LBPRGKRZSA-N", "SMILES:C[C@@H](Cc1nncn1C)c1ccnc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJLBEITYZONHV-AWEZNQCLSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc3cc(OCC(=O)O)ccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUFHJPREWLJYMW-HNNXBMFYSA-N", "SMILES:CNC(=O)COc1ccc2cnc(C(=O)Nc3cccc([C@H](C)Sc4nncn4C)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUFHJPREWLJYMW-OAHLLOKOSA-N", "SMILES:CNC(=O)COc1ccc2cnc(C(=O)Nc3cccc([C@@H](C)Sc4nncn4C)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGIFCKPSLFEBG-INIZCTEOSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc3cc(OCc4ccn[nH]4)ccc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRGFRPTWICRQZ-AWEZNQCLSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc3ccc(OCC(=O)O)cc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAUXKRSNPQPEFT-AWEZNQCLSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2ccc3c(OCC(=O)O)cccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTCUYAHDTZYBSX-HNNXBMFYSA-N", "SMILES:CNC(=O)COc1cccc2nc(C(=O)Nc3cccc([C@H](C)Sc4nncn4C)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZKHRVFMXNEDU-NTISSMGPSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc3cc(OCC(=O)NCCN)ccc3cn2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWWARLZNLFKDH-GFCCVEGCSA-N", "SMILES:Cc1cnnn1C[C@@H](C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWWARLZNLFKDH-LBPRGKRZSA-N", "SMILES:Cc1cnnn1C[C@H](C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKGEYIDJJMNIG-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2n[nH]c3c2CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPLVNTUSEPVWAC-SNVBAGLBSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)n[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGZQFYRCCOVOY-SNVBAGLBSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2coc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOFISWECKKBOJ-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2ccn3nccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBFTVOIUDOUMA-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc3cccn3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSVPHMIHQQVNIN-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cn3ccnc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPVJWARGZHJROI-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc3c(C4CC4)cccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHUNAAQKVCXMRF-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(C)(C)O)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPMFUXKYPNCJG-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cccc(C(C)(C)C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFTILDXTYWLQKY-ZDUSSCGKSA-N", "SMILES:C[C@@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C3CC3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWAMANBLZESLI-ZGTCLIOFSA-N", "SMILES:CC1CCc2c1n[nH]c2C(=O)Nc1cccc([C@H](C)Cc2nncn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXVFDJXKBFLFQ-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cnn3cccnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZXKWROQQPFRET-ZDUSSCGKSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@@H](C)Cc3nncn3C)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAJWPIZZMNWIFZ-SNVBAGLBSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc(C(F)(F)F)c[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYUEQCKIBYFIO-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2[nH]nc3c2CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBBBJCLTAPIAF-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2ccnc3ccnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNLHVOHKBWFKD-CYBMUJFWSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc2ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDKOAFCSWCHISI-CYBMUJFWSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@H](C)Cc3nocc3C)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTHLGCZMRQAPGA-ZIAGYGMSSA-N", "SMILES:Cn1cnnc1[C@@H]1C[C@@H]1c1cccc(NC(=O)c2nc3c(C(F)(F)F)cccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDWMDCLLXPKMA-IAGOWNOFSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@H]3C[C@H]3c3nncn3C)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZWJJSHSMFFWJA-GFCCVEGCSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncs3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWQVSSPSTIEBOY-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3nc4c(C(F)(F)F)cccc4[nH]3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVFABHXOIBCAE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXOQVRBOSXEEN-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3ccnc(C(F)(F)F)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASEZZQIHEFSLBT-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJMWTZAVYRNICT-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDRGWFHSGQXRE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKMKXPJJRKABT-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(C4CC4)nc(C(F)(F)F)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWWGHTZTGEXSF-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFROKMFLHFAVAZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3[nH]nc4c3OCCC4)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKBTMWVOPCGNW-HXUWFJFHSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@@](C)(F)C(F)(F)c3nncn3C)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUYAWSYQUAWEF-LJQANCHMSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(NC(=O)c2nc3c(C(F)(F)F)cccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNPIBOVYXRQOZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(C(F)(F)c4nncn4C)CC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPSSITODRCNHCZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(C4CC4)nc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHBHUGNGHWFGZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(C(=O)Nc3cccc(C4(Cc5nncn5C)COC4)c3)cc(C3CC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLXYTHZWYIYGHX-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(NC2(C)COC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPOCWMXKCSTND-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(NC2COC2)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKOTKWMOQSINP-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(NC2CCC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PETREIHKGQFBDS-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(NC2COC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCEJFAGAEHSOAC-CQSZACIVSA-N", "SMILES:CC(C)Nc1cc([C@H](C)Cc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDBQUZLYLIWRD-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(OC2COC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDNHTUOZUGYCK-VFPJAPOESA-N", "SMILES:CC1OCC1Oc1cc([C@H](C)Cc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZZPXKPSDDZSJI-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(OCC(F)F)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDSANUIFFCIKKG-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(NCCO)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAOKVPTSVSNRB-CYBMUJFWSA-N", "SMILES:CCOc1cc([C@H](C)Cc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWHQUGBAHLPRP-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(OCCO)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXNCNCFSSXIITM-CYBMUJFWSA-N", "SMILES:CCNc1cc([C@H](C)Cc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCBSGGZZKSWKX-ZBFHGGJFSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(N[C@H]2CCOC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCBSGGZZKSWKX-GDBMZVCRSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(N[C@@H]2CCOC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIQIVZAWHXXRDX-GFCCVEGCSA-N", "SMILES:CNc1cc([C@H](C)Cc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUUZWIQJKIWBT-KGLIPLIRSA-N", "SMILES:C[C@H](O)CNc1cc([C@H](C)Cc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSZFIBSQJLZDT-KGLIPLIRSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(N[C@@H](C)CO)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSZFIBSQJLZDT-ZIAGYGMSSA-N", "SMILES:C[C@H](CO)Nc1cc([C@H](C)Cc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYUPJQFQJKKTD-ZDUSSCGKSA-N", "SMILES:Cc1conc1C[C@H](C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYUPJQFQJKKTD-CYBMUJFWSA-N", "SMILES:Cc1conc1C[C@@H](C)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDUNMAAQFZBCN-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nncs1)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXGNXTZDXUEHE-HUUCEWRRSA-N", "SMILES:Cn1cnnc1[C@@H]1C[C@@H]1c1cccc(N2Cc3c(ccnc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAESNDQFCAWUJV-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C4CC4)nc3C3CC3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBUKWKKBMKWFA-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(ccnc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUKBTTSHRVQAMZ-CQSZACIVSA-N", "SMILES:Cc1cc2c(c(C3CC3)n1)CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDAJLYBWRWRCN-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(ccnc3C(C)(C)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVBAIPCIHVTIN-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C(C)(C)O)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNEAQJGMFFJUTG-GESALYCCSA-N", "SMILES:C[C@@H]1[C@@H](c2nncn2C)[C@H]1c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCKXHOPJNMVQZ-WADWEFIESA-N", "SMILES:CNCc1ccc(C(=O)Nc2cccc([C@H]3[C@H](C)[C@H]3c3nncn3C)c2)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCNCRJTXQCPWIF-CQSZACIVSA-N", "SMILES:Cc1c[nH]nc1-c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEHKAUDFJSDAD-CQSZACIVSA-N", "SMILES:Cc1n[nH]c(C)c1-c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTOLRIULJWTFA-WBVHZDCISA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(N[C@H]4CCNC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKWCHSWMFMQGDV-APWZRJJASA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(N(C)[C@H]4CCNC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUNASBRAZXYLII-CQSZACIVSA-N", "SMILES:Cc1[nH]ncc1-c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXRYTHTVPALZRL-SJLPKXTDSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc([C@@H]4CCCNC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXRYTHTVPALZRL-AEFFLSMTSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc([C@H]4CCCNC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOLDICIJUPLRPA-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(-n4cccn4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZXSELDQFWDHHK-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1-c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHRSYQCKSHKDH-UHFFFAOYSA-N", "SMILES:CN1CC2CCC(C1)N2c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLMPVFGZXQIHNM-UHFFFAOYSA-N", "SMILES:CN1CC2CCC1CN2c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFMMENQHTYTOEP-UHFFFAOYSA-N", "SMILES:CN1C2CCC1CN(c1cc3c(c(C(F)(F)F)c1)CN(c1cccc(C4(Cc5nncn5C)COC4)c1)C3=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQYGAQCKSLVDC-SFHVURJKSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQYGAQCKSLVDC-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(C)CCN1c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTVTNBEIXBHEA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHJNFHLONHZBZ-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CO)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFNRZMWYGETMQ-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4CC(O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKZYFIGDJAGNFB-UZLBHIALSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4CC[C@H](O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKYQKEPZOSULON-DURYTUKUSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4C[C@@H](O)[C@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZDRGWUQGIQZIK-MRXNPFEDSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4CCC(F)(F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQNMUSGUHKKKT-MRXNPFEDSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4CC(C)(O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXYTNFOUYFZOW-QUGAMOGWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4CC[C@](C)(O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVFYKBSJLTWLFD-APWZRJJASA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4CC[C@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVFYKBSJLTWLFD-VQIMIIECSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4CC[C@@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLIYWFASMOQMIL-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4CC(F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZQCZKYZWSBJFU-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4CC(F)(F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXWFOFGFIDGMDO-HLIPFELVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc([C@@H](C)N4CC[C@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXWFOFGFIDGMDO-UWVAXJGDSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc([C@H](C)N4CC[C@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXSMZPPTOPEMJO-HZPDHXFCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc([C@@H](C)N4CC(O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXSMZPPTOPEMJO-CVEARBPZSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc([C@H](C)N4CC(O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYOATAIQYDHDM-QRWLVFNGSA-N", "SMILES:Cc1conc1C[C@@H](C)c1cccc(N2Cc3c(cc(C(=O)N4CC[C@H](O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRUJQHTYOBJTR-HZPDHXFCSA-N", "SMILES:Cn1cnnc1[C@@H]1C[C@@H]1c1cccc(N2Cc3c(cc(C#N)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWQAUUFWYQQGQL-DFQSSKMNSA-N", "SMILES:Cn1cnnc1[C@@H]1C[C@@H]1c1cccc(N2Cc3c(cc(CN4CC[C@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNOGNBVSBCWNRU-IBGZPJMESA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@H](F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRPCPBSEHDYLJ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC(F)(F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDFLNXCZSMHYCQ-PXNSSMCTSA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDFLNXCZSMHYCQ-XLIONFOSSA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNAYBKLCWMXSEO-ZRZAMGCNSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5C[C@@H](F)[C@@H](F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUSJHNZYUARQLO-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC(F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYHVXJRHAPFFKL-PQLKOCLTSA-N", "SMILES:CC(c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O)N1CC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBUUHMXJAKKQK-JGHKVMFLSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4CC(O)C(F)(F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKYQKEPZOSULON-IEKZBVHVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(CN4C[C@@H](F)[C@@H](O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUKRHMYCQYHGJ-QGZVFWFLSA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUKRHMYCQYHGJ-KRWDZBQOSA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTENVJOTUMYNBS-SFHVURJKSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@@H](C#N)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTENVJOTUMYNBS-GOSISDBHSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@H](C#N)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPFZCGSXLDQLLT-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC(C#N)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGGHDWYFUJUNG-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC(C)(F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWUFFPHLXHPOKI-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC(C)(C#N)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJVSFHLVAUVJB-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCC5=O)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJPKPOJQPUHCT-DEOSSOPVSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC=C[C@@H]5O)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQUMICMMMIJYSD-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC(C(=O)O)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEHRUACAQJFYOV-KDURUIRLSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5C[C@H]6C[C@H]6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYPUOVBCGXWLU-UHFFFAOYSA-N", "SMILES:CC(c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC(S(C)(=O)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTKPTKAOGWAROK-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOCC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICLNWJVHDRPQT-FQEVSTJZSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC[C@H](F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSSCATUPXQJFEW-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCC56COC6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRJZNPJDSRTDU-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCS(=O)(=O)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXSWWLRNITBAV-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC(C)(F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSWDSVYMSBXPKK-KWCCSABGSA-N", "SMILES:CC(O)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBGYTOAOWNJNE-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CO)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCPUBIJUPXLUAD-BXKMTCNYSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(C(=O)N4CC[C@H](O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWCMVVYCTMNWAB-XMMPIXPASA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(C(=O)N4CC(C(F)F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBUJKHYOGDQGE-XMMPIXPASA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(-c4cncc(F)c4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZBDDXTURZWQH-XMMPIXPASA-N", "SMILES:CN1CCN(c2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@@](C)(F)C(F)(F)c4nncn4C)c2)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IONICYIOWXWRLK-HSZRJFAPSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(N4CCNCC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSLPTCCCQMTGGM-PUAOIOHZSA-N", "SMILES:C[C@@H]1CN(C)CCN1c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSLPTCCCQMTGGM-IVCQMTBJSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWNQSSYIIKMUHO-LJLLCPEMSA-N", "SMILES:CN1CC2CCC(C1)N2c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBLOPBEPWCVSD-BLXYSHDZSA-N", "SMILES:CC(O)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYSWFGYCJNCCS-BXKMTCNYSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4CC[C@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXOONLXUOSJKMZ-HSZRJFAPSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4CCC(F)(F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYSWFGYCJNCCS-XDHUDOTRSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@@](C)(F)c1cccc(N2Cc3c(cc(CN4CC[C@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYSWFGYCJNCCS-MZNJEOGPSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4CC[C@@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOCKLJSJVITMT-HSZRJFAPSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4CC(F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVVUOSDYAZVBHJ-XMMPIXPASA-N", "SMILES:COC1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@@](C)(F)C(F)(F)c4nncn4C)c2)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYLRDIUVLSCVBU-XMMPIXPASA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4CC(C(F)F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDSSUWRIMDGIND-PUAOIOHZSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4CC[C@H](C#N)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDSSUWRIMDGIND-IVCQMTBJSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4CC[C@@H](C#N)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMMGLQBOABJZID-XMMPIXPASA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4CC(C#N)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJXSHBZXQJJFO-UQBPGWFLSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4CC[C@H](S(C)(=O)=O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJXSHBZXQJJFO-KBMIEXCESA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4CC[C@@H](S(C)(=O)=O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSCMCYFXUSPVQC-HYGPGOAJSA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSCMCYFXUSPVQC-NNSISHGFSA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXDTLGVSADJHC-ZFGGDYGUSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(N2Cc3c(cc(CN4C[C@@H](F)[C@@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNCMBTVLMVMQO-SFHVURJKSA-N", "SMILES:Cn1cnnc1C(F)(F)C1(c2cccc(N3Cc4c(cc(CN5CC[C@H](F)C5)cc4C(F)(F)F)C3=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKZDBORSFSTWKP-RZSJKOKISA-N", "SMILES:CC1C=NN=C1C[C@@H](C)c1cccc(N2Cc3c(cc(CN4CC[C@@H](O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLMNMJLIKTMJD-BRZGIBKSSA-N", "SMILES:CC1C=NN=C1C[C@@H](C)c1cccc(N2Cc3c(cc(C(=O)N4C[C@@H](O)C[C@H]4C)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHKFYWMPRYUPBN-RZOYMLOVSA-N", "SMILES:C[C@H](CC1=NN=CC1C(F)(F)F)c1cccc(N2Cc3c(cc(C(=O)N4CC[C@H](O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRESNYHUUVIZMN-NBUPCJOWSA-N", "SMILES:CC(c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@H]3C[C@H]3c3nncn3C)c1)C2=O)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWLTRFPUGHJDL-LBPRGKRZSA-N", "SMILES:C[C@@H](c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1)C(F)(F)c1nncn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNYILIVIAGVJEO-FQEVSTJZSA-N", "SMILES:CCOc1cc(N2Cc3c(cc(CN4CC[C@H](F)C4)cc3C(F)(F)F)C2=O)cc(C2(Cc3nncn3C)COC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUEMOVRNJBRDOW-JOCHJYFZSA-N", "SMILES:CCOc1cc(NC(=O)c2cc(C)nc(C3CC3)n2)cc([C@@](C)(F)C(F)(F)c2nncn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQOQTYOPQCRRS-CWSKOGRWSA-N", "SMILES:Cn1cnnc1C[C@]1(c2cccc(N3Cc4c(cccc4C(F)(F)F)C3=O)c2)C[C@H](CO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNUOLJCZIDXRV-QGZVFWFLSA-N", "SMILES:Cn1cnnc1C[C@H](c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNUOLJCZIDXRV-KRWDZBQOSA-N", "SMILES:Cn1cnnc1C[C@@H](c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMUGXZINYAPHTN-GMUIIQOCSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc3cc(N4CCNCC4)ccc3cn2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQVRIESWPBYISN-UHFFFAOYSA-N", "SMILES:CC(c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1)C(F)c1nncn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQVRIESWPBYISN-KPZWWZAWSA-N", "SMILES:C[C@@H](c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1)[C@@H](F)c1nncn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMMNEDWNTSHMOI-SFHVURJKSA-N", "SMILES:Cn1cnnc1CC(C)(C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@H](O)C3)cc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXTZZXCVHTYQJ-UHFFFAOYSA-N", "SMILES:CC(Cc1nncn1C)c1cc(C2CCC2)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJHXROPLGBHAQ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC(C)(C)c1cccc(N2Cc3c(cc(C4CC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNRHRAMEIFAOO-PXNSSMCTSA-N", "SMILES:Cn1cnnc1[C@H](F)[C@@](C)(F)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNRHRAMEIFAOO-YLJYHZDGSA-N", "SMILES:Cn1cnnc1[C@@H](F)[C@](C)(F)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNRHRAMEIFAOO-FXAWDEMLSA-N", "SMILES:Cn1cnnc1[C@H](F)[C@](C)(F)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNRHRAMEIFAOO-XLIONFOSSA-N", "SMILES:Cn1cnnc1[C@@H](F)[C@@](C)(F)c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLJWYBSJBJZDL-NZQKXSOJSA-N", "SMILES:Cn1cnnc1[C@H](F)[C@](C)(F)c1cccc(N2Cc3c(cc(C4CC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLJWYBSJBJZDL-OFNKIYASSA-N", "SMILES:Cn1cnnc1[C@@H](F)[C@@](C)(F)c1cccc(N2Cc3c(cc(C4CC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLJWYBSJBJZDL-REWPJTCUSA-N", "SMILES:Cn1cnnc1[C@H](F)[C@@](C)(F)c1cccc(N2Cc3c(cc(C4CC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLJWYBSJBJZDL-NFBKMPQASA-N", "SMILES:Cn1cnnc1[C@@H](F)[C@](C)(F)c1cccc(N2Cc3c(cc(C4CC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJGXBVRHQXZXEI-KDOFPFPSSA-N", "SMILES:C[C@H](Cc1nocc1C(F)(F)F)c1cccc(N2Cc3c(cc(C(=O)N4CC[C@H](O)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHRZYUGQHQNGMZ-PBHICJAKSA-N", "SMILES:C[C@H](Cc1nocc1C(F)(F)F)c1cccc(N2Cc3c(cc(C(=O)N4CC[C@H](F)C4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IORILWSMLJHCPB-MHECFPHRSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@H]6C[C@H]65)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IORILWSMLJHCPB-KOSHJBKYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@@H]6C[C@@H]65)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQWWMSBILMYSDV-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRBXYOGJCSWTR-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC6C(C5)C6(F)F)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPQIJUHPLNNMKM-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC(F)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRMWPFLMIAGVPK-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCC6CC65)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQGCTKULAPBROG-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC6CC6(C)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLZMALNDJYFRD-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3csc(C(F)(F)F)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWDYFLRIWAMHRS-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3nc(C4CC4)cs3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOUZWRAVZLHRS-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3csc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUAFWRBBTPWQPE-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3nc(C(F)(F)F)cs3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIUYFCEWHZPSZ-NRFANRHFSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CC[C@H](F)C4)cc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMVTXPBVBJBAQ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CCC5CC54)cc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNJOUJNNISQKW-OYRHEFFESA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4C[C@H]5C[C@H]5C4)cc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARMEFNCQHNBGL-SZPZYZBQSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4C[C@@H]5[C@H](C4)C5(F)F)cc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGOQPECDYWQKAC-UHFFFAOYSA-N", "SMILES:Cc1conc1CC1(c2cccc(NC(=O)c3cc(CN4CCC5(CC5)C4)cc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLIQCXMLDSVKO-HXUWFJFHSA-N", "SMILES:Cc1conc1CC1(c2cccc(NC(=O)c3cc(CN4CCO[C@H](C)C4)cc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFULZICDWCTKA-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(OC(F)F)cc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLYZCJMCWPNGZ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZGIWNMLPDERM-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CCC4)nc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRXVJCDBHOTSQ-NRFANRHFSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CC[C@H](O)C4)nc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQAAXWNWSLMLT-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(Cn4ccnn4)nc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNPIESZTRKLYCY-QFIPXVFZSA-N", "SMILES:Cc1conc1CC1(c2cccc(NC(=O)c3cc(CN4CC[C@H](O)C4)nc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAAISWOTAFZQRT-UHFFFAOYSA-N", "SMILES:Cc1conc1CC1(c2cccc(NC(=O)c3cc(CN4CCC5(CC5)C4)nc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRBJBLHHFYFBE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nocc4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APYVQGZOZQBOIC-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4[nH]ncc4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZVBSWOGXMXJHP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C(C)(C)Cc3nncn3C)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPCEGZYLTYRNC-BXKMTCNYSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(NC(=O)c2cc(CN3CC[C@H](F)C3)nc(C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPMVPAKIQPMFRD-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(OC5CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDZOQHGMTRUIGB-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(OC5CNC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPVJYIUPCTVQW-AVRWGWEMSA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3([C@H](F)c4nncn4C)COC3)c1)C2=O)N1CCC2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPVJYIUPCTVQW-IQGLISFBSA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3([C@H](F)c4nncn4C)COC3)c1)C2=O)N1CCC2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYMATQPBPVJLJA-LJAQVGFWSA-N", "SMILES:Cn1cnnc1C[C@@]1(c2cccc(N3Cc4c(cc(CN5CCC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYMATQPBPVJLJA-GDLZYMKVSA-N", "SMILES:Cn1cnnc1C[C@]1(c2cccc(N3Cc4c(cc(CN5CCC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFSFKMSVJVZLIY-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3=C(c4nncn4C)CCC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXMQSDNIOKDJHW-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CCC5(CC5)C4)cc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHGVASGPZWRKJ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDRRIHYTAPMNIV-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC(CCF)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPLVWGYLBMNSG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(-c3c(-c4nncn4C)cnn3C)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXLEBHEYJBAAK-UHFFFAOYSA-N", "SMILES:Cn1cnnc1-c1cnn(C)c1-c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOITOULPQTHNQ-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(-c4c(-c5nncn5C)cnn4C)c2)C3=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTYALBUCQQVWSZ-HDICACEKSA-N", "SMILES:C[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(-c4c(-c5nncn5C)cnn4C)c2)C3=O)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZBFUYHFLHNDY-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)CC(F)(F)C3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXQDMFSCXXAVHQ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cccc4C(F)(F)F)C3=O)c2)CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXFXBMJCRUWYJD-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCC(F)(F)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGGPRTJGSSZYIU-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CC5CCCO5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDLQHVLKQFGBK-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CC5CNCCC5=O)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIQAQCBLCAMXNP-UHFFFAOYSA-N", "SMILES:CN1CCC(=O)C(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANQKDALPILIYNX-KBMIEXCESA-N", "SMILES:CN1CC[C@@H](O)[C@H](Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANQKDALPILIYNX-CLOONOSVSA-N", "SMILES:CN1CC[C@H](O)[C@H](Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRYZSYVBJQHPB-QHCPKHFHSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@]3(Cc4nncn4C)CCOC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRYZSYVBJQHPB-HSZRJFAPSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@@]3(Cc4nncn4C)CCOC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYOPHHZICZXLS-UHFFFAOYSA-N", "SMILES:Cc1conc1CC1(c2cccc(N3Cc4c(cc(CN5CCC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYONMNHZJVNBLM-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC(F)C5(C)C)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPSBOZKMGOQGQU-UHFFFAOYSA-N", "SMILES:CC(c1cc2c(c(C3CC3)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHKUZLNXTDOWDE-UHFFFAOYSA-N", "SMILES:CC(O)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNJOUNBRKXHOI-KKXNLOMOSA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC2CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNJOUNBRKXHOI-QHGAOEGBSA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC2CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIMRZNITKQOTRS-UHFFFAOYSA-N", "SMILES:CC(c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRARAFFPHWNLBX-KRWDZBQOSA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC(C)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRARAFFPHWNLBX-QGZVFWFLSA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC(C)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTMSMXTILOCGL-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C(F)(F)C(=O)O)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYFZGVFGFLHPO-CPJSRVTESA-N", "SMILES:CC[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYFZGVFGFLHPO-NBGIEHNGSA-N", "SMILES:CC[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSGWRSYQZSXBQ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C(F)(F)CO)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCHHRCFEXLMDB-YZUZCNPQSA-N", "SMILES:CN(c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O)[C@@H]1CNC[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCHHRCFEXLMDB-ZFGGDYGUSA-N", "SMILES:CN(c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O)[C@H]1CNC[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCHHRCFEXLMDB-AWRGLXIESA-N", "SMILES:CN(c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O)[C@H]1CNC[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCHHRCFEXLMDB-PQNGQFLHSA-N", "SMILES:CN(c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O)[C@@H]1CNC[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPPQIRQNKDMCB-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC(F)CC5)cc4C4CC4)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYERXNJAVFMVLJ-IBGZPJMESA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CCC(C)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYERXNJAVFMVLJ-LJQANCHMSA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CCC(C)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJGIAYUIHKLLZ-QFIPXVFZSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@H](F)C5)cc4C4CC4)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZDJTVBWVDKYOK-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5C6CCC5CC6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGMZKFQCQZRIHA-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5C6CCCC5CC6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMFXPYVMYPMNG-MUSUJDOFSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5[C@@H]6CC[C@H]5C[C@H](F)C6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEEUPUQNIMMZCO-FQEVSTJZSA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEEUPUQNIMMZCO-HXUWFJFHSA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWMJFUBMMTZRLT-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C5=CN6CCC5CC6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBWKITWOHZSSGW-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C5CN6CCC5CC6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IITODBUYVOVZNZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CCOC5=O)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPMYUKCDSHLRY-XHNVNVPESA-N", "SMILES:CN1C[C@@H]2C[C@H]1CN2c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPMYUKCDSHLRY-MPCDZSKCSA-N", "SMILES:CN1C[C@H]2C[C@@H]1CN2c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVHOVINLRBTKK-LJLLCPEMSA-N", "SMILES:CN1C2CCC1CN(c1cc3c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c4nncn4C)c1)C3=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWSZYKIGMHGJD-LJLLCPEMSA-N", "SMILES:CN1CC2CCC1CN2c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSIJAXHCLDROTC-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CCOCC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEAHRLMYKLBEIB-ZPHNUYGRSA-N", "SMILES:CN1CC2CC(C1)N2c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKXSZPGXHBUQG-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C5CC5)nc4C4CC4)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXBHDXRTCRSNL-SFTDATJTSA-N", "SMILES:CN1C[C@@H]2C[C@H]1CN2c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRJFJSBXAFNFHP-LPHOPBHVSA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(C(F)(F)c4nncn4C)COC3)c1)C2=O)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRJFJSBXAFNFHP-APWZRJJASA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(C(F)(F)c4nncn4C)COC3)c1)C2=O)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXZBTICLDJYBU-UHFFFAOYSA-N", "SMILES:CN1CC2CC(C1)N2c1cc(C(=O)Nc2cccc(C3(C(F)(F)c4nncn4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XILRRXOMHKJQEF-UHFFFAOYSA-N", "SMILES:CN1CC2CCC(C1)N2c1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIAAQGHQMQYZEB-IBGZPJMESA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CC[C@H](F)C4)nc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPVJYIUPCTVQW-BVZFJXPGSA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3([C@@H](F)c4nncn4C)COC3)c1)C2=O)N1CCC2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPVJYIUPCTVQW-CJAUYULYSA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3([C@@H](F)c4nncn4C)COC3)c1)C2=O)N1CCC2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCWAJXKWUAZCX-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(ccc(F)c4C4CC4)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBLZKESSQFKEFE-FQEVSTJZSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@H](F)C5)nc4C4CC4)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYVQEBBIIYJQP-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCC5)nc4C4CC4)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKMPJWMOVYTJH-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C(O)C(F)(F)F)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBECKOGLOGWBRZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C(N5CCCC5)C(F)(F)F)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPLPDJFWBEJFS-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CCNC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKPJJGRLTHQXFB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CC12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFZXXMQLOPNSZ-UHFFFAOYSA-N", "SMILES:CC(c1cc2c(c(C3CC3)n1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFSLGAXYQLPOD-UHFFFAOYSA-N", "SMILES:CC(c1cc2c(c(C3CC3)n1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CCC2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJGSKDDUKWXSS-UHFFFAOYSA-N", "SMILES:CC(c1cc2c(c(C3CC3)n1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWAXMXBIJVUJLG-UHFFFAOYSA-N", "SMILES:CC(c1cc2c(c(C3CC3)n1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFIBLQLMRYYPQ-UHFFFAOYSA-N", "SMILES:CC1C(C(F)(F)F)CCN1Cc1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOLSLSGEWEOKE-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CCCCC4)nc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VASGFORVIPTHKO-OAQYLSRUSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CCN6CCC[C@@H]6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VASGFORVIPTHKO-NRFANRHFSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CCN6CCC[C@H]6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUHYMMTLPOSBK-IBGZPJMESA-N", "SMILES:C[C@@H](c1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)n1)N1CCC2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUHYMMTLPOSBK-LJQANCHMSA-N", "SMILES:C[C@H](c1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)n1)N1CCC2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JULSWJJCASCAMC-UHFFFAOYSA-N", "SMILES:CC(c1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)n1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZAZYPHUBNHRY-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CC(C(F)F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIYKUXBSODTFQP-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(OC(F)F)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHDLTKWZRBDAA-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)n2nccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBQINWNFNLCCF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)n2nc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUGLMIYUBAPSI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)n2nc(C(F)(F)F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRSOESLZGIYOIU-UHFFFAOYSA-N", "SMILES:Cc1cnn2c(C(=O)Nc3cccc(C4(Cc5nncn5C)COC4)c3)cc(C(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUXDENXZSISTQH-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CC(C(F)(F)F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJQJBRBNDGYMZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CCC(C(F)F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHURNWNTOIRLP-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CC6(C5)CC(F)(F)C6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKJKCWCKEKBXDN-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CC6(CCC6(F)F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZWOWXFWFJSUFS-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(C4CC4)nc4ccnn34)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZQYDNCJYTYED-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3ccnc4ccnn34)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEOUXOJYOPQFJN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)n2ncc(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBYDLCMFZRFDX-UHFFFAOYSA-N", "SMILES:CC1CN(c2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKJHEIZEGUHFCT-UHFFFAOYSA-N", "SMILES:CC1CN(c2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKJNITRPTSNEPG-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CC(C(F)F)C5)nc4C4CC4)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEBHWCYCOJUIJ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(N4CC(C(F)F)C4)nc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLRSQUXALIZHJ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C5CCC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFMXOIIRGJBAY-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C5=CCOC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRXOCEBOSNKFKI-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C5CCOC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOOKMYKSNYYVIP-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C5=CCCOC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMEWXPMTUNGUNR-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C5CCCOC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOENFVKQZHPQKF-UHFFFAOYSA-N", "SMILES:CC1=C(c2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCEPIGJYDKRAHN-OAHLLOKOSA-N", "SMILES:Cn1cnnc1C[C@H](c1cccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBOQGODUNGSTPH-XMMPIXPASA-N", "SMILES:Cn1cnnc1[C@@H](F)C1(c2cccc(N3Cc4c(cc(CN5CCC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCALIQCCBLERRK-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC6CC5CO6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHIAOYMKYQOOPG-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC(C)(F)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDVWRVPFEQMLCA-LOSJGSFVSA-N", "SMILES:CO[C@@H]1CCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICLNWJVHDRPQT-HXUWFJFHSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC[C@@H](F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTCOAFTLLLIMT-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPOBVWQRWFERDI-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILWQGUNLXJWMQ-ZEQRLZLVSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@H](F)[C@@H](F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILWQGUNLXJWMQ-DNQXCXABSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@@H](F)[C@H](F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRHJEJIHMVYRIC-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCCC(F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEFUICNIKZWDQ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC(C#N)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXUDKAGUXYCAKX-UHFFFAOYSA-N", "SMILES:CCOC1CCCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYUDPYIJWJUCGA-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC(C(F)F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVZTVJWFJPGDW-IQGLISFBSA-N", "SMILES:C[C@@H]1CCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIRUTNKLRCHLO-UHFFFAOYSA-N", "SMILES:COC1CCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYAFVOQCRUAPY-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC(F)(F)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILWQGUNLXJWMQ-RPWUZVMVSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@@H](F)[C@@H](F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMZXICHECOWMP-UHFFFAOYSA-N", "SMILES:CC1CCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXUZFGLOYFGII-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC6(CC6)C(F)(F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCKWHDBZVCIPGA-UHFFFAOYSA-N", "SMILES:COC1CCCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWRLTUVGVBDOC-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCc6ccncc6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVZTVJWFJPGDW-CJAUYULYSA-N", "SMILES:C[C@@H]1CCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVZTVJWFJPGDW-AVRWGWEMSA-N", "SMILES:C[C@H]1CCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCENOEOJZZPFQZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC6CC(C5)C6(F)F)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEHJLHLFBHVRSS-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC6(CC5)CC6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULEXVBQKHUVRRV-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC(C)(C#N)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQIPFFWQOQDGY-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC(C(F)F)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDMLLQINFHOIQ-FQEVSTJZSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@@H](CO)C(F)(F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDMLLQINFHOIQ-HXUWFJFHSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@H](CO)C(F)(F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSOHJOKZYZCEIZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCc6cccnc6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVWJJFOHAVIFU-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC6CC6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWRPLKYLVIZODK-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC(F)(F)C(O)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYEAEBMEXAZSBC-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCc6cnccc6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVHJIIKXCMQVMV-UHFFFAOYSA-N", "SMILES:Cc1nc2c(o1)CCN(Cc1cc3c(c(C(F)(F)F)c1)CN(c1cccc(C4(Cc5nncn5C)COC4)c1)C3=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFAOMLFGPPFAFE-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCc6ccccc6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDJCJIDHRGQSZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCc6c5cnn6C)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIAZKFLNZPDRCZ-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)CCCN2Cc1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMOSHBWRGLCMX-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5Cc6cccc(F)c6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGYNHQCIXJFKR-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5Cc6ccccc6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJVOYSDDMUOOS-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5Cc6ccc(F)cc6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOYDBEZSUBJBDU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(Cc1cc3c(c(C(F)(F)F)c1)CN(c1cccc(C4(Cc5nncn5C)COC4)c1)C3=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIQWIFGCRPXGG-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5Cc6cccc(Cl)c6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZSBFYXRBHJTJW-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5Cc6cccc(C#N)c6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWKLMQTVOVYWTN-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5Cc6ccc(Cl)cc6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIQMAURZRNCHAL-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5Cc6cccnc6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQVYCUUBSVELR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(Cc1cc3c(c(C(F)(F)F)c1)CN(c1cccc(C4(Cc5nncn5C)COC4)c1)C3=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWZAFJNFWJXFA-DEOSSOPVSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@H](c6ccccc6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWZAFJNFWJXFA-XMMPIXPASA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@@H](c6ccccc6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINWJCLJWVLZEZ-SFHVURJKSA-N", "SMILES:C[C@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINWJCLJWVLZEZ-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEPAAKYKLPFQDT-KDURUIRLSA-N", "SMILES:C[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGONRZCFMMMQG-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC(C)(C)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPVYNUUOVDZDKD-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSRABAUFDCUJX-QFIPXVFZSA-N", "SMILES:COC[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZHKBPKMBVZLGU-MRXNPFEDSA-N", "SMILES:C[C@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZHKBPKMBVZLGU-INIZCTEOSA-N", "SMILES:C[C@@H](c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJRXJMUOUTORY-GOSISDBHSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3([C@H](F)c4nncn4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJRXJMUOUTORY-SFHVURJKSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3([C@@H](F)c4nncn4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFFLVSSOYRBZPJ-XMMPIXPASA-N", "SMILES:Cn1cnnc1[C@@H](F)C1(c2cccc(N3Cc4c(cc(CN5CCC(F)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFFLVSSOYRBZPJ-DEOSSOPVSA-N", "SMILES:Cn1cnnc1[C@H](F)C1(c2cccc(N3Cc4c(cc(CN5CCC(F)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUKWMQCHXCWAS-VGMBQNGWSA-N", "SMILES:Cn1cnnc1[C@@H](F)C1(c2cccc(N3Cc4c(cc(CN5C6CCCC5CC6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUKWMQCHXCWAS-NSOLWDIASA-N", "SMILES:Cn1cnnc1[C@H](F)C1(c2cccc(N3Cc4c(cc(CN5C6CCCC5CC6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBOMVIGQJTGCP-AOJNWGRGSA-N", "SMILES:Cn1cnnc1[C@@H](F)C1(c2cccc(N3Cc4c(cc(CN5[C@H]6CC[C@H]5CC(F)C6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBOMVIGQJTGCP-MCEYFSPLSA-N", "SMILES:Cn1cnnc1[C@H](F)C1(c2cccc(N3Cc4c(cc(CN5[C@H]6CC[C@H]5CC(F)C6)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIJKNZWIUXYRA-HSZRJFAPSA-N", "SMILES:Cn1cnnc1[C@@H](F)C1(c2cccc(N3Cc4c(cc(CN5CCCC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIJKNZWIUXYRA-QHCPKHFHSA-N", "SMILES:Cn1cnnc1[C@H](F)C1(c2cccc(N3Cc4c(cc(CN5CCCC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEKATYRYKSDKR-XMMPIXPASA-N", "SMILES:Cn1cnnc1[C@@H](F)C1(c2cccc(N3Cc4c(cc(CN5CCCCC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEKATYRYKSDKR-DEOSSOPVSA-N", "SMILES:Cn1cnnc1[C@H](F)C1(c2cccc(N3Cc4c(cc(CN5CCCCC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYOOSOTIZNNGW-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(C(F)(F)c4nncn4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFJEVDEOUETDL-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(C3CC3)n1)CN(c1cccc(C3(C(F)(F)c4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRJFJSBXAFNFHP-CVMIBEPCSA-N", "SMILES:CC(c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(C(F)(F)c4nncn4C)COC3)c1)C2=O)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYOPVYYQWZETC-UHFFFAOYSA-N", "SMILES:CC(c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(C(F)(F)c4nncn4C)COC3)c1)C2=O)N1CC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBEOTIXCDBTRQU-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(C2CC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOOIPFLZUNXFJ-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(N2Cc3c(cccc3C(F)(F)F)C2=O)nc(C2(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVCBWYMJFTVHB-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(-c2cncs2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNTPUAYWCHQWJV-CYBMUJFWSA-N", "SMILES:Cc1c[nH]nc1-c1cc([C@H](C)Cc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWPJLGCERLOTTP-CYBMUJFWSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(-c2cn[nH]c2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNSHQIFUTUYDDJ-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(C2=CCOCC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIUVQMDFIXKHA-OAHLLOKOSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(C2CCOCC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYBNSINWFNHMKK-GICMACPYSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(C2CCOC2)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKDYZIONZSAEY-CQSZACIVSA-N", "SMILES:CCCOc1cc([C@H](C)Cc2nncn2C)cc(N2Cc3c(cccc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBFZJJOWJNAPE-XYJCDUHRSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cc(NC2CCC2O)nc(N2Cc3c(cccc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPVXUZUWHUOAFL-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)c2cc(C)nc(C3CC3)n2)cc(C2(Cc3nncn3C)COC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQOOVRJCPYZPTN-NQIIRXRSSA-N", "SMILES:CCOc1cc(N2Cc3c(cc([C@@H](C)N4CC[C@H](F)C4)cc3C(F)(F)F)C2=O)cc(C2(Cc3nncn3C)COC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQOOVRJCPYZPTN-RXVVDRJESA-N", "SMILES:CCOc1cc(N2Cc3c(cc([C@H](C)N4CC[C@H](F)C4)cc3C(F)(F)F)C2=O)cc(C2(Cc3nncn3C)COC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFRKBDZMDQMSY-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(C3CC3)n1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWPJSWJSLGWZRB-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCC(F)(F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCTIHPFAPPRFOE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)CCC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEHAWGWZUQWST-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHSOCXTOVIHHN-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(ccnc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJFIMSXCBXQOI-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(C(O)c5ccccc5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTFMCBFPNNNULK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(C3CC3)cc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPZKNHQLJDICDD-INIZCTEOSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CC[C@H](F)C4)nc(C(F)(F)F)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEVLYOWXMGQSAM-UHFFFAOYSA-N", "SMILES:Cn1cnnc1OC1(c2cccc(N3Cc4c(cc(CN5CCC(F)CC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDYZPZIQVUBFQ-UHFFFAOYSA-N", "SMILES:CC(c1nncn1C)C1(c2cccc(N3Cc4c(cc(CN5CCC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXIPPEDWUYYONT-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CN(Cc1cc3c(c(C(F)(F)F)c1)CN(c1cccc(C4(Cc5nncn5C)COC4)c1)C3=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCPUTMOSJWHOM-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC6(CCC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIJYINOKYZPCLG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C(F)F)COC3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZMJCJHTCMKMO-UHFFFAOYSA-N", "SMILES:CCn1cnnc1CC1(c2cccc(NC(=O)c3cc(C)nc(C4CC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZUPSADIWNIOPK-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCc6cc(C#N)ccc6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWHPTYQMPDXOK-QHCPKHFHSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCO[C@H](C(F)(F)F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSZVQGWNOYMKR-IBVKSMDESA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@@H]6OCC[C@@H]6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWONZQHLYXVND-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCc6ncccc6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNUSLMLYUQMFEE-NRFANRHFSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCO[C@H](CO)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGPOAUAJZPCTA-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC6(CCOC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXLJYPWFGJOCNS-IZZNHLLZSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CC[C@@H]6NCCO[C@@H]6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMXYGXMBJJOHAV-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC(CF)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEYRFRHAGALYOC-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC(CC(F)(F)F)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMRJUCIWJZSBQP-UHFFFAOYSA-N", "SMILES:CC(C)C1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)COC4)c2)C3=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSWXRXRJIMEIB-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCN6C(=O)CCC6C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGHPZATDAYWLZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC(CCO)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOTROONLWNITCK-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC(C6CC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVHXLNAZYHKCRM-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOC(C6CCC6)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTKAYDPLPHEHG-CQSZACIVSA-N", "SMILES:C[C@@H](Sc1nncn1C)c1cccc(NC(=O)c2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTYHHEVZGCRJNY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVTCUEVVRGASKR-GOSISDBHSA-N", "SMILES:CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCWMHQYEJWHSA-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTURLVXNWJHWFO-GFOWMXPYSA-N", "SMILES:CC(CO)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHISSWMAUGQMC-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXUWRMUGSSMQCZ-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSAOWUKNHMVFTJ-OAQYLSRUSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC3(C)COC3)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVWKUDPICKKWAA-VQCQRNETSA-N", "SMILES:CCC(CO)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRVIUSKBOVSDF-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGXLSVYAUYEIS-OAQYLSRUSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)(C)C4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFAYKZWOGRZGMG-OAQYLSRUSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)(C#N)C4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKEVKHCVZISCRT-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CC(C#N)C4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKBTIZDVVUNMC-HXUWFJFHSA-N", "SMILES:CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDRVCQEZCTCNE-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVGQGVIPUWPLSW-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)C(C)(C)C)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYOVHUCEUQWELU-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)C4(C)COC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVWNUNXMISXCNU-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)C4COC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOULIWPGEXKVLC-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)C(C)(C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LENDCRAWIIWGOQ-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)CC(C)(C)O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUOTQBGFLLRQA-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHYPPNWVTXZCX-OAQYLSRUSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC[C@@H](O)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHYPPNWVTXZCX-NRFANRHFSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC[C@H](O)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSWACWQDLMAJF-UHFFFAOYSA-N", "SMILES:CC1(O)CCN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C4(C)CC4)cc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNRQKQQUXFGGL-FQEVSTJZSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCC[C@H](O)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKCTBHUEAFUGI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(NC3(CO)COC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQIUYZXYUWVMHC-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC(F)(F)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJNLKZARHWPPSV-OAQYLSRUSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC[C@@H](CO)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJNLKZARHWPPSV-NRFANRHFSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC[C@H](CO)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMIYYNCDDAIJKD-UHFFFAOYSA-N", "SMILES:CC1(O)CCN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C4(C)CC4)cc3N3CCC4(CC3)CC4)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJBWUZCLYOYXLS-MHZLTWQESA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC[C@](C)(O)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJBWUZCLYOYXLS-HHHXNRCGSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC[C@@](C)(O)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWKNQIAJTJYTIS-OAQYLSRUSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCO[C@@H](CO)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWKNQIAJTJYTIS-NRFANRHFSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCO[C@H](CO)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLRFKMZJNQBZPT-UHFFFAOYSA-N", "SMILES:CC1(F)CCN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C4(C)CC4)cc3N3CCC4(CC3)CC4)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIIRQVOYUMPJEI-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCCC(F)(F)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USAIDNZCCJRWSQ-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCc5cc(Cl)ccc54)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUNPUDMIREXKZ-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CC(F)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBUXBRAYFOWMR-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCCCC4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORAXYFJRXCSRH-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CC(F)(F)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIAUQPGYRZSPPY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAXHXJLDZLWKA-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC5(CC5)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGMYTIGKQPJGBB-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC(C#N)CC4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVAOWMYYBMYJDX-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCCC(C#N)C4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMVKMHAIZWBPEL-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC(F)CC4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILWBXPHMMMCFIY-HXUWFJFHSA-N", "SMILES:CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(N3CCC[C@@H](O)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUDYTZQXKPBFSJ-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEJJAIZMKVMSG-UHFFFAOYSA-N", "SMILES:CC1(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(C)(C)O)n3)c(N3CCC4(CC3)CC4)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUIYVAKUQROEIA-FQEVSTJZSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCO[C@H](CO)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOBWJUOQYCOSY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cccc(C3CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLNQJKAGHGUGM-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQGIVWUNUIQNN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNRPWEOMBHUPJO-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTIIUBMRXSDKW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZWBEKPBQMIQLJ-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(N4CCC(F)(F)CC4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFSVXEPZAVNYIO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBCTBARAWLXAP-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC4(C)COC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAFWESFTSCEBKO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDNJXFKKYFFLEK-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDVOBOFKSYGFJM-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C4(C)CC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAKVZJUTYKWHCL-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(CS(C)(=O)=O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURNBMYDDCVCBD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(CS(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YONPQQPOQNTCJC-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)nc(C(C)(C)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBZMBZJNQJDFV-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC3(C)COC3)cc2N2CCC3(CC2)CC3)nc(C(C)(C)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBAJVJVXKGALP-OAQYLSRUSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2N2CCC3(CC2)CC3)nc(N2CCC[C@@H](O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZEJUVSBLKDLBQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OCCC(F)(F)F)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNGPMXFHMQPQFY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXZGOXUNFIEET-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(C2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOULCMNPGFCCTR-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSUAVKUBNKYEAQ-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGARSKNIRIFIOR-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(N4CCNS4(=O)=O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZLVMIPQQBNJI-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)N(C)C)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STBZTWVOTGMRHQ-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(N4CCS4(=O)=O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFCIMBVGHMARGJ-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C(F)F)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNUIKSXDVIDCIF-HXUWFJFHSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C)cc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXQMAXCYCKEZEB-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C4CCC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPNSJMVECICKIE-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C4COC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBZZRRIUAKECLL-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3COC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDCFCQNVQWCCI-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDCFCQNVQWCCI-IBGZPJMESA-N", "SMILES:C[C@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBBMYVUTGKTIQ-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CCC(F)(F)F)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTZHXOMMPMKTRC-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C4(F)CC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDWBPBJQULZRBL-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQWBYVJMAUDSU-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPMJIZSASZKOES-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPMJIZSASZKOES-FQEVSTJZSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKIFKWIBGGNKIY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(N2CCOCC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCECLUGRBCRYMT-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBRYXJVVIAPQEF-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGTQJNPDOLZPKQ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3CCC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHYRJLLEZPDTSS-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CC3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGMBCINEDXTUSR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COEZYKXDIWAHPT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(N2CCC(F)(F)CC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOYZIUBBFMCAK-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZDHRQXDDZUTTC-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJXOGOYJBBOEHE-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3CCC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHUTQVFRSIFRF-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CC3CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQIDGPFOILBIN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3COC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEWMESHBLQAGLO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXJUNBYNPCRCFH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPBEUFGGWJKLS-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CCF)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSZBPNNEUJSIB-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CF)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWYHZRTVRDLJTJ-LJQANCHMSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRKOXLKYUXJLI-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CF)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLNELXKKVTIOF-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CC(F)(F)F)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQMHCGZXJLUEU-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CC(F)F)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGEBQFPUGXKIDH-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C(F)(F)F)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUNRMRQJDNDAZ-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CC(C)(C)O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZFPSQRYSGCSIO-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLCHARVXSYGWMI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(N2CCC(F)(F)CC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMWRXRZKHPCNHR-QGZVFWFLSA-N", "SMILES:C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CC(F)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMWRXRZKHPCNHR-KRWDZBQOSA-N", "SMILES:C[C@@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CC(F)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABIJYBKZGVHHY-QGZVFWFLSA-N", "SMILES:C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CC(F)(F)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABIJYBKZGVHHY-KRWDZBQOSA-N", "SMILES:C[C@@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CC(F)(F)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFSJKVLRNFFCNR-GOSISDBHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFSJKVLRNFFCNR-SFHVURJKSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HICYSEQMCDSKPJ-FQEVSTJZSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HICYSEQMCDSKPJ-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCLGKJIZQOWDKZ-IBGZPJMESA-N", "SMILES:C[C@@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCC(F)(F)CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCLGKJIZQOWDKZ-LJQANCHMSA-N", "SMILES:C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCC(F)(F)CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUICGRAXWPYPH-NHCUHLMSSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUICGRAXWPYPH-RTWAWAEBSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUNBLSXDYPXYAV-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUNBLSXDYPXYAV-FQEVSTJZSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBKCTUGAXEDAY-WOJBJXKFSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)[C@H](C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBKCTUGAXEDAY-UXHICEINSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)[C@@H](C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBKCTUGAXEDAY-VQTJNVASSA-N", "SMILES:C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCO[C@@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBKCTUGAXEDAY-PMACEKPBSA-N", "SMILES:C[C@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)[C@@H](C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZFTOMBISLBKH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3(CO)CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOXYPZNSJSMZFU-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C4(CO)CC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKRPIJYLBXNVCM-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3(CO)CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEARGJMCIAVOSL-LRFXEURWSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc([S@](=N)(=O)C4CC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEARGJMCIAVOSL-TVKFYGHBSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc([S@@](=N)(=O)C4CC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYLVSBXCMIMBG-SHUBACIRSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc([S@](=N)(=O)C(C)(C)C)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYLVSBXCMIMBG-XQUOZVEWSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc([S@@](=N)(=O)C(C)(C)C)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCTWDFMNCMZAMM-STQSFFJQSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc([S@](C)(=N)=O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCTWDFMNCMZAMM-JTYJAPAGSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc([S@@](C)(=N)=O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIWLYLQCQPMGC-UHFFFAOYSA-N", "SMILES:CC1(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(OCC4CC4)n3)c(N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCTUPBONINYFST-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OC(F)F)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYZOEPYXDVJNQ-UHFFFAOYSA-N", "SMILES:CC(C)(O)COc1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKMPHOYVMKFOY-UHFFFAOYSA-N", "SMILES:CC(Oc1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIRCYYBXUUJBNM-UHFFFAOYSA-N", "SMILES:CC1(COc2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFDAIZZFZOSRT-UHFFFAOYSA-N", "SMILES:CN1CC(COc2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMJQFXVJAONNV-UHFFFAOYSA-N", "SMILES:CC(O)COc1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHYTLGIXNHXNJ-UHFFFAOYSA-N", "SMILES:CC(C)(O)CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMJJCDFKOPYHL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OCCC(O)C(F)(F)F)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWQWEPRDYQSZBL-UHFFFAOYSA-N", "SMILES:CC(O)CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUQIUGJBENDTFK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OCC(O)C(F)(F)F)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKIJUSLONWOFHN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OCCC(F)F)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTSEQCYNKZNBN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(OCCC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIDLAXLTFGZST-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(OCC(O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWQJXIBXLRSOU-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(OCC(C)(C)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXDMSNPCWSIOP-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(OCCCC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFLGNPBGWBPBA-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cc(C3CC3)cc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTZZKXZUVOBOR-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2cc(C(F)(F)F)cc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTTISVFGROJHJZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc1N1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRUJWVBBZRCTH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc1N1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWDDROJPLXKEW-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(C2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDTCCTNCOOIRCK-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2nc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)ccc2F)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHKENFTWLESFW-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cc(C#N)cc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDHVKUFVNDUFT-UHFFFAOYSA-N", "SMILES:CC(C)(C)S(=N)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIOCGPYWPCBUBN-PSXMRANNSA-N", "SMILES:N=[S@](=O)(c1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(N2CCC3(CC2)CC3)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIOCGPYWPCBUBN-BHVANESWSA-N", "SMILES:N=[S@@](=O)(c1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(N2CCC3(CC2)CC3)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEIFXYGUJVPEQD-PSXMRANNSA-N", "SMILES:Cc1cc(NC(=O)c2ccc([S@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEIFXYGUJVPEQD-BHVANESWSA-N", "SMILES:Cc1cc(NC(=O)c2ccc([S@@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFHQGOVFYUYML-XQUOZVEWSA-N", "SMILES:Cc1cc(NC(=O)c2ccc([S@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFHQGOVFYUYML-SHUBACIRSA-N", "SMILES:Cc1cc(NC(=O)c2ccc([S@@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMZGTNJWRNTBC-KXQOOQHDSA-N", "SMILES:Cc1cc(NC(=O)c2ccc([S@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMZGTNJWRNTBC-LHEWISCISA-N", "SMILES:Cc1cc(NC(=O)c2ccc([S@@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVKGTFFCBKRBT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OCCC(F)(F)F)n1)c1ccc(S(=O)(=O)C2CNC2)cc1N1CCC2(CC1)CC2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLMJPKDJXLIAAW-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)OCCO2)N1Cc2ccc(C(O)c3ccccc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHMWEAETFHRMB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)OCCO2)N1Cc2cnc(C(O)c3ccccc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZUFETMRVADYPX-UHFFFAOYSA-N", "SMILES:CNCC(c1ccccc1)c1cc2c(cn1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMVRGTZHBPTOP-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)OCCO2)N1Cc2cnc(C(O)c3cccc(N4CCNCC4)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVSWLHAVWUMIB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)OCCO2)N1Cc2cnc(C(O)c3cccc(Cl)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMFISZQNTWHYRL-UHFFFAOYSA-N", "SMILES:CNCCC(c1ccccc1)c1cc2c(cn1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIRZOPQYQZBRHB-UHFFFAOYSA-N", "SMILES:NC(c1ccccc1)c1cc2c(cn1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHZHCDAWNULLW-UHFFFAOYSA-N", "SMILES:CNC(c1ccccc1)c1cc2c(cn1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPXTVIJSRFXYPB-UHFFFAOYSA-N", "SMILES:CNCC(c1ccccc1)c1cc2c(cn1)CN(S(=O)(=O)c1ccc(-n3cccn3)c(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNNRGGXYPOISGF-UHFFFAOYSA-N", "SMILES:CNCCC(c1ccccc1)c1cc2c(cn1)CN(S(=O)(=O)c1ccc(-n3cccn3)c(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTHCVDDCJEEIG-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-n2cccn2)c(F)c1)N1Cc2cnc(C(O)c3cccc(N4CCNCC4)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRDWXPXKWRFCNX-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3ccccc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPRAAEALKBLQJN-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-n2nccc2F)cc1)N1Cc2cnc(C(O)c3ccccc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWRXEKODKVXVDY-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)N2Cc3cnc(C(O)c4ccccc4)cc3C2)ccc1-n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDOVQFFGGWIMV-UHFFFAOYSA-N", "SMILES:O=S(=O)(C1CCC(n2cccn2)CC1)N1Cc2cnc(C(O)c3ccccc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVVKHDIFLWBBC-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc(N4CCNCC4)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKKCXBDBJNFTLB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(O)c3cc4c(cn3)CN(S(=O)(=O)c3ccc(-c5ncco5)cc3)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEVTSQPBFZEOI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)c(F)c1)N1Cc2cnc(C(O)c3cccc(N4CCNCC4)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXQKVUUPTDYYPQ-UHFFFAOYSA-N", "SMILES:Cc1c(C(O)c2ccccc2)ncc2c1CN(S(=O)(=O)c1ccc(-c3ncco3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHPDIVIPZDRGE-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cc(C(O)c3ccccc3)nnc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPQCAKKOQHOQQY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc4c3CNC4)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMUGSGCYJLRJB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)c(F)c1)N1Cc2cnc(C(O)c3ccccc3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPNUHOLVDLYMX-UHFFFAOYSA-N", "SMILES:CC(c1cccc(N2CCNCC2)c1)c1cc2c(cn1)CN(S(=O)(=O)c1ccc(-c3ncco3)c(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMBCFWBQOLFDN-UHFFFAOYSA-N", "SMILES:COc1cccc(C(O)c2ncc3c(n2)CN(S(=O)(=O)c2ccc(-c4ncco4)c(F)c2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKMRWHWNIOQBT-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)c(F)c1)N1Cc2cnc(C(O)c3cccc(N4CCNCC4)c3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRNUGSQMPELMW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(O)c3ncc4c(n3)CN(S(=O)(=O)c3ccc(-c5ncco5)c(F)c3)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRFFLMBRSUNIEE-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)C3CCCC3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INEROTLNURLMRH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)C3CCCCC3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKBEWQUBKSYIY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(C2=NCCO2)cc1)N1Cc2cnc(C(O)c3ccccc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNAGSYZQXNTVKY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(O)c2cc3c(cn2)CN(S(=O)(=O)c2ccc(-c4ncco4)cc2)C3)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZXIVPMTQLKHV-UHFFFAOYSA-N", "SMILES:CC1CN(c2cccc(C(O)c3ncc4c(n3)CN(S(=O)(=O)c3ccc(-c5ncco5)cc3)C4)c2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFZRHFMTBYQLC-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc(N4CCN5CCCC5C4)c3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIALZSNXHFCHT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(C#N)c3cc4c(cn3)CN(S(=O)(=O)c3ccc(-c5ncco5)cc3)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODPPAZZSQPVYIZ-UHFFFAOYSA-N", "SMILES:CNC(=O)C(c1cccc(OC)c1)c1ncc2c(n1)CN(S(=O)(=O)c1ccc(-c3ncco3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEOQERSEIJCNOJ-UHFFFAOYSA-N", "SMILES:CNCc1ccc2cccc(C(O)c3ncc4c(n3)CN(S(=O)(=O)c3ccc(-c5ncco5)c(F)c3)C4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFIHCYRTZONWLJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)c(F)c1)N1Cc2cnc(C(O)c3cccc4c3OCCNC4)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEQOAIHWKHFNQV-UHFFFAOYSA-N", "SMILES:CC1c2cnc(C(O)c3cccc(N4CCN(C)CC4)c3)cc2CN1S(=O)(=O)c1ccc(-c2ncco2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNADIEBZGBNTRN-UHFFFAOYSA-N", "SMILES:CC1c2cc(C(O)c3cccc(N4CCN(C)CC4)c3)ncc2CN1S(=O)(=O)c1ccc(-c2ncco2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGRRBOYWBKZBS-UHFFFAOYSA-N", "SMILES:CN1CC2CN(c3cccc(C(O)c4cc5c(cn4)CN(S(=O)(=O)c4ccc(-c6ncco6)c(F)c4)C5)c3)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTCNAVCWYFEGTP-UHFFFAOYSA-N", "SMILES:CN1CC(Oc2cccc(C(O)c3cc4c(cn3)CN(S(=O)(=O)c3ccc(-c5ncco5)c(F)c3)C4)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUICRBYJUBZZGB-UHFFFAOYSA-N", "SMILES:CN1CC2=C(C1)CN(c1cccc(C(O)c3cc4c(cn3)CN(S(=O)(=O)c3ccc(-c5ncco5)cc3)C4)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDOKVEOBDWUFLS-MHZLTWQESA-N", "SMILES:CN(C)C1CN(c2cccc([C@H](O)c3cc4c(cn3)CN(S(=O)(=O)c3ccc(-c5ncco5)cc3)C4)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCFBMLAVABXJV-UHFFFAOYSA-N", "SMILES:COC(c1cccc(N2CC(N(C)C)C2)c1)c1cc2c(cn1)CN(S(=O)(=O)c1ccc(-c3ncco3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGESTSMOGJMOCD-UHFFFAOYSA-N", "SMILES:COC(c1cccc(OC2CCN(C)CC2)c1)c1cc2c(cn1)CN(S(=O)(=O)c1ccc(-c3ncco3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPDNEMLZOBZWHA-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cc(C(O)c3ccccc3)[n+]([O-])cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEDMLEKBBNGZFT-UHFFFAOYSA-N", "SMILES:Cc1nc(C(O)c2cccc(N3CCN(C)CC3)c2)nc2c1CN(S(=O)(=O)c1ccc(-c3ncco3)c(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXNCGRYAYUSDQQ-UHFFFAOYSA-N", "SMILES:CN1CC2(C1)CN(c1cccc(C(O)c3cc4c(cn3)CN(S(=O)(=O)c3ccc(-c5ncco5)cc3)C4)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLXKJBFSNRMOLN-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc(N4CC5NCCOC5C4)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANAYJVUGJZQRW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(O)c2cc3c(cn2)CN(S(=O)(=O)c2ccc(-c4ncco4)s2)C3)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBFLDGZCGFUJFI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc(N4CC5CCNC5C4)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYIXBVZAAPZCBF-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc(N4CC5CC(C4)N5)c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQYDBINXNWGZKP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(O)c3ncc4c(n3)CN(S(=O)(=O)c3ccc(-c5ncco5)cc3)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJAJFWXBTWEGS-UHFFFAOYSA-N", "SMILES:CN1CC2CN(c3cccc(C(O)c4cc5c(cn4)CN(S(=O)(=O)c4ccc(-c6ncco6)cc4)C5)c3)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNAJMNDXNSLLCA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccccc2C(O)c2cc3c(cn2)CN(S(=O)(=O)c2ccc(-c4ncco4)cc2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTZKEUCOIQBJLJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(O)c2cc3c(cn2)CN(S(=O)(=O)c2ccc(NC(=O)C4CC4)cc2)C3)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISXOIARJYGWTOR-UHFFFAOYSA-N", "SMILES:COc1nc(C(O)c2cccc(N3CCN(C)CC3)c2)nc2c1CN(S(=O)(=O)c1ccc(-c3ncco3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEALKQLLXPPJR-UHFFFAOYSA-N", "SMILES:CN1CC2(C1)CN(c1cccc(C(O)c3cc4c(cn3)CN(S(=O)(=O)c3ccc5ccccc5c3)C4)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRFBSGTFIZYDJ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(S(=O)(=O)N3Cc4cnc(C(O)c5cccc(N6CC7(CN(C)C7)C6)c5)cc4C3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOIONRWKOGDQOG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc2c(NC3CCCc4ccccc43)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLYJISDUHFXOHK-GOCONZMPSA-N", "SMILES:C[C@@H]1CC[C@@]23C[C@H](O)C(=O)[C@@]2(O)[C@]1(C)[C@H](OC(=O)CCl)C[C@@H](C1=CCn2c(=O)n(-c4ccccc4)c(=O)n2C1)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGYTKQAWYPQNZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)C3(C)COC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUPYXTXZCNCGBL-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYPQLTZOGMJMEQ-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRWEAVAQRPUGK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cccc(C3CC3)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEVQKMQWDIVBH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGMLXWRUJAOTMW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cccc3cccnc23)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKLAPDANAQHHM-UHFFFAOYSA-N", "SMILES:Cc1ccnc2c(NC(=O)c3ccc(S(C)(=O)=O)cc3N3CCC4(CC3)CC4)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPKZOEAAKUNYNU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCCC3)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKUVZDYODEQPK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cccc3ccoc23)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIJJHPQOPBKCQS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cccc3ccsc23)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBDNDEAWINOSJQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXIYOJOPKDMTC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYMXBRZSJQDIA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOSXHQBBQKMFR-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEZISJVYORTNT-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C3(C)COC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXMPDKSBKIXPLR-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C3(O)COC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWPVSATXUVJCST-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)NC3(C)COC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBKNPDOXIRDFU-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)NC3(C)COC3)cc2N2CCC3(CC2)CC3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LABGFQRMEPJIET-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cccc(NC(=O)c2ccc(NS(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQJOZGZAKDAGK-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cccc(NC(=O)c2ccc(NS(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZGYQJDGUVDYIK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTXVREBJNKVDEJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJSZXIAADYCRL-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)C3CC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URZUVZBIHCLSJB-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJGTCGSPASDKT-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKXMJMLZIWRMGV-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHVADXDLNLWWSV-HXUWFJFHSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJXDLNQYWVVEY-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)c2F)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYUMZNCMAWTKBQ-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cc(F)cc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWPCECZIAGFXNI-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)ccc2F)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEODXRMBXQJHV-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)cc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMISDZBMEULERS-IBGZPJMESA-N", "SMILES:C[C@@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMISDZBMEULERS-LJQANCHMSA-N", "SMILES:C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZTVYKTSZTUME-UHFFFAOYSA-N", "SMILES:CC(C)(O)COc1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZCUEFPOINZFMG-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOHVOXJXRSFRK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)CO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFYDJEUTCHTOAE-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NCCO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHXMMZKUIJPRC-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWXNZUCHIXMRU-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC3COC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXDHJJMUSPGFR-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVMVVCJWJCWRE-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC3(C)CC3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHDHSACQHFZGX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTIOQYNIFJDDGO-SANMLTNESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@@](C)(O)CO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTIOQYNIFJDDGO-AREMUKBSSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@](C)(O)CO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBPBEKQMLSHRU-UHFFFAOYSA-N", "SMILES:Cn1ccnc1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWUFTFFSCKDZDO-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTZUTTXCIXTGPP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)c(N3CCC4(CC3)CC4)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEMJNAKOBGGCGT-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3ncco3)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXUSMVPIHKMUIY-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFUMHHYPPMJEV-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NCCO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICBAFJWUYGNUML-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(=O)NCCO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOGKOOYBFSTMC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQAQDAKVBHSRL-UHFFFAOYSA-N", "SMILES:CN(CCO)C(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDRIJIDVVODCW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(=O)NC(C)(C)CO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJVOFZCUHAQOC-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLPFWHRZUHBXTB-DIPNUNPCSA-N", "SMILES:N=[S@](=O)(c1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLPFWHRZUHBXTB-QNGWXLTQSA-N", "SMILES:N=[S@@](=O)(c1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPVSZKEWCFOBJ-MGBGTMOVSA-N", "SMILES:C[S@@](=N)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPVSZKEWCFOBJ-XIFFEERXSA-N", "SMILES:C[S@](=N)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOBLGIZDMBVNME-QNGWXLTQSA-N", "SMILES:CC(C)(C)[S@@](=N)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOBLGIZDMBVNME-DIPNUNPCSA-N", "SMILES:CC(C)(C)[S@](=N)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZGTLAPVRJDIY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXKRMSSYMKBKV-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQRISDFXJONNU-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(NC(C)(C)CO)cnc2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONIGLGNZUBQAS-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYEYKZQICGFPCS-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC(C(F)(F)F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUEYDTKCBUSIGR-UHFFFAOYSA-N", "SMILES:CCC1CCN(c2nc(NC(C)(C)CO)cnc2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYXHLZUXGWXQRN-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(c2nc(NC(C)(C)CO)cnc2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCVYHMRCROVGI-UHFFFAOYSA-N", "SMILES:CC(C)C1CCN(c2nc(NC(C)(C)CO)cnc2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYAHOXALKQEKFQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC(C(C)(C)C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHHUKFAPIKGFL-UHFFFAOYSA-N", "SMILES:CCC(C)C1CCN(c2nc(NC(C)(C)CO)cnc2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIMJYXJRFCYZRS-UHFFFAOYSA-N", "SMILES:CCCC1CCN(c2nc(NC(C)(C)CO)cnc2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPZNXSPLHLTGFA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC(C3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKIPGJTNAROBG-UHFFFAOYSA-N", "SMILES:COCC1CCN(c2nc(NC(C)(C)CO)cnc2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJGFLUCKGERSH-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CC3(CCC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYCJFGITBDQSFL-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CC3(CCCCC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWEIGMKLULHIFI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CCOCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHXWNDCRHLFPI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIDQDYZAMJHEDA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC(F)(F)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORGLNGDHYGCON-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CCCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJKOUNAYGALBAZ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUKWDDJEQHFLG-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(S(=O)(=O)C(C)(C)C(F)(F)F)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXHAEBQPRZBJB-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(S(=O)(=O)C(C)(C)C)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRAXVSWHWRAQU-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(S(=O)(=O)C3(C)CCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLGZLHZALQSGCO-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cc(F)cc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFXKXRDGMHFBI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWJADFEVBSWOV-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGIHTGGSNINAOD-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(N3CCOCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYSXHOAFKAWGZ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIRZJEPILBAUSB-FQEVSTJZSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(S(=O)(=O)[C@H]3CCC(F)(F)C3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIRZJEPILBAUSB-HXUWFJFHSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(S(=O)(=O)[C@@H]3CCC(F)(F)C3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUFJHWRZHFMRRY-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJDSURZDVOVCO-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYIDECPHNVBKMW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ncc(NC2(CO)CC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUIKSAVKHKMBED-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC3(CO)CC3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXWZWUHLSAATN-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1cnc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOUTKVAGBQDGC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVKQCKMCQELFX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTXPVVQWJMGFI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2-c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILPFGTJHUBJILV-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc(NC(C)(C)CO)cnc2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKOSPQUESHTQG-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2nc(NC(C)(C)CO)cnc2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYOODNHGCAAHQ-HSZRJFAPSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc([C@@](C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYOODNHGCAAHQ-QHCPKHFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc([C@](C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDOZSYVBGSSAP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NC(C)(CO)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSUNOLGULPTMQN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(NS(=O)(=O)CCO)cc(N4CCC5(CC4)CC5)c23)cc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJSCLHGWFWPPML-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(C)nc3cc(NS(=O)(=O)CCO)cc(N4CCC5(CC4)CC5)c23)cc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVRGPWJBXWVNN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(S(C)(=O)=O)cc(N4CCC5(CC4)CC5)c23)cc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYXIDYIFHPKQX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncnc3cccc(N4CCC5(CC4)CC5)c23)cc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPBFJLFESEPNX-RRHRGVEJSA-N", "SMILES:Cc1cc(Nc2ncnc3cc([S@](=N)(=O)C4CC4)cc(N4CCC5(CC4)CC5)c23)cc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPBFJLFESEPNX-FAIXQHPJSA-N", "SMILES:Cc1cc(Nc2ncnc3cc([S@@](=N)(=O)C4CC4)cc(N4CCC5(CC4)CC5)c23)cc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRJSMJJLMOQCPT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(NS(=O)(=O)CCO)cc(N4CCC5(CC4)CC5)c23)cc(OCCC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJPYKAIEXJIICW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2ncnc3cc(NS(=O)(=O)CCO)cc(N4CCC5(CC4)CC5)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEDLGLJSGNQAGB-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCO)Nc1cc(N2CCC3(CC2)CC3)c2c(Nc3cccc(OCCC(F)(F)F)c3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVFRMANDRDBPV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(NS(=O)(=O)CCO)cc(N4CCC5(CC4)CC5)c23)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIFSUIRKHQCFGY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(NS(=O)(=O)CCO)cc(N4CCC5(CC4)CC5)c23)cc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSAKRWSMDSGLSZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(NS(=O)(=O)CCO)cc(N4CCC5(CC4)CC5)c23)nc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAPHBFYYAUUFST-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ncnc3cc(NS(=O)(=O)CCO)cc(N4CCC5(CC4)CC5)c23)cc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGRDGCOCYFJZKE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nncc3cc(NS(=O)(=O)CCO)cc(N4CCC5(CC4)CC5)c23)cc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STKWZWAIOPIIQM-ZCIWVVNKSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEFKQDVHARYJMO-WJKQRCEYSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C(C)C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABWICUCWWQGPMT-XQZLXVFMSA-N", "SMILES:CCn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(NC)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIVGSUWTTIXXGF-VJUOEERUSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCC(F)(F)CC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSANZLJSAQBTMB-LNNXQNCSSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVOLJXGITGLGNG-XQZLXVFMSA-N", "SMILES:CCNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIXGVMKUHVKGID-XQZLXVFMSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccccn5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUOQYHYFHBUMIB-XQZLXVFMSA-N", "SMILES:CCNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cn(C)cn5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDECWAXDIYOBDH-LALUYCJQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cnn(C)c5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULXUXJDDHMJRSZ-LALUYCJQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBXLWISZBWELN-XNWPKKHHSA-N", "SMILES:Nc1ccnc2cc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQRQFILPJBFOD-RKCFAAOBSA-N", "SMILES:Nc1cc(C2CC2)nc2cc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEPOZFJIJCXOLS-PXOHRUDZSA-N", "SMILES:Nc1cc(N)c2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMWNBKRKLVGYCB-VXSYHOTISA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCN(C)C5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHGOOLWBTBPORO-ITBLURSFSA-N", "SMILES:CCc1cc(N)c2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSWPJPJGDIEQNJ-RCCFBDPRSA-N", "SMILES:Cc1cc(N)c2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)C[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYOFHQAYYVSQRU-ABYLEIOUSA-N", "SMILES:Nc1nc2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVXGNTZYNSJEA-ZCIWVVNKSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(CC5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQSJSBYVAKWRU-WJKQRCEYSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCN(C)CC5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLCLAICZDCVEL-IULIOSHDSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)nc(N)nc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPTWLYCKKBTKGQ-LNNXQNCSSA-N", "SMILES:Cc1cc(N)c2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRXVBCEXCJJSV-LALUYCJQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cn(C)cn5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJYPCQUPPXWKE-CXEBNRJLSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CC5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVPWMOGBKCLNKT-QZNHQXDQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)C[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUOYVUIAMGFNRH-LALUYCJQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5=CCNC5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCHZOTXCLWRNTF-VJUOEERUSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLWSIQHUCSUOHY-XQZLXVFMSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPVMVYKPZIPBCR-WJKQRCEYSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5=CCN(C)CC5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQAXJVBGIYHEKZ-LALUYCJQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(CC5CC5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYKICPAUVKJFKV-LALUYCJQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccnn5C)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVSYULUHFMNFS-GCQDIAHQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C(F)(F)F)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCHGZXSHHGBVRF-ZCIWVVNKSA-N", "SMILES:CNc1ccc2ccc(CC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTVZHJCIJRCVCK-XQZLXVFMSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cccnc5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYPZLZLPAXHPC-CJXUKZFBSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)nccc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKURGPLKALAOMX-ZCIWVVNKSA-N", "SMILES:CN(C)c1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJICMHRPAOFCRY-WJKQRCEYSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cc(F)cc(F)c5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSBRQRLAIMVFQM-TWSMVNEUSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGYDWGDOUSDHOL-GCQDIAHQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Cl)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLUQVZVYDAYLMT-GCQDIAHQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJZIAKWWSACXQB-LZLYRXPVSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)C[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVGKYJBSHYMPI-LZLYRXPVSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Cl)c5c(N)ncnc54)C[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVECJDIQTYYRJO-IJJBFERESA-N", "SMILES:Nc1ccc2ccc(CC[C@H]3C[C@@H](n4cc([C@H]5CCOC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUYPRXDEARMMOQ-PWHSHALESA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3C[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)C[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTPSZKPQBZORGY-MZTRBVECSA-N", "SMILES:CNc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(C)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YONOTRKVJDBWHH-OZPQRRJYSA-N", "SMILES:CNc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(CO)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVECJDIQTYYRJO-UICVDILASA-N", "SMILES:Nc1ccc2ccc(CC[C@H]3C[C@@H](n4cc([C@@H]5CCOC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGCKJGGGLKPVIF-CYDBCKOSSA-N", "SMILES:CCNc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEIAAXUQNYQPKB-VCSRXXJTSA-N", "SMILES:CNc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMQHTJLOCAVBE-VCSRXXJTSA-N", "SMILES:CNc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(C5CCOCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSIYUYVHXBWCGF-CYDBCKOSSA-N", "SMILES:CNc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(C5CCCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTPUIAVTKUOKJR-MWJRIHONSA-N", "SMILES:Nc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIXHAGOBURZQHG-SYMSJMEQSA-N", "SMILES:CCCc1cn([C@@H]2C[C@H](CCc3ccc4ccc(N)nc4c3)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKZUIQJKPZIIZ-BTECGJQVSA-N", "SMILES:Cn1cc(-c2cn([C@@H]3C[C@H](CCc4ccc5ccc(N)nc5c4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNSWNMQWUYUILS-MZTRBVECSA-N", "SMILES:CNc1ccc2cc(CC[C@H]3C[C@@H](n4cc(C)c5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYHKVIBKSUYBN-WGQQHEPDSA-N", "SMILES:CCNc1ccc2ccc(OC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUCKQSKMMSTBF-PTGPVQHPSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H](CCc2ccc3ccc(N4CCCC4)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPFBMASCYPSJBO-CIVUBGFFSA-N", "SMILES:CNc1ccc2cc(OC[C@H]3O[C@@H](n4cc(C)c5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOFBJGYTQPUWCA-HAXDFEGKSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Cl)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTZBLICNMGFRD-AEVYOOLXSA-N", "SMILES:Nc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZELHXQLVZPLPQ-FGSUIDRYSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCCC4)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVSRPFQYGNVRI-HAXDFEGKSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBCNABVOCLART-UMCMBGNQSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCCC4)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKAVPUJCEULUIW-AEVYOOLXSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOBUAHFIFWJQLJ-UMCMBGNQSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCOCC4)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAAMFRLMPUTKHA-WGQQHEPDSA-N", "SMILES:CN(C)c1ccc2ccc(OC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNDASAFAJIVHM-WVSUBDOOSA-N", "SMILES:Nc1ccc2ccc(OC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGAYMXIRZRHHM-STCFGPAYSA-N", "SMILES:CCNc1ccc2ccc(OC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPVDWMKUGIWPI-NZILNVENSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](COc2ccc3ccc(N4CCCC4)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNZPVIHFRFFIF-DAQNBYSMSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3ccc(N4CCCC4)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJPCPAYCWBDDE-XVPDYNCKSA-N", "SMILES:CNc1ccc2cc(F)c(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBTWXKKSTPWHOF-ZDXOVATRSA-N", "SMILES:CCNc1ccc2ccc(CC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKDWWYHNKYEKTE-MQYXYMALSA-N", "SMILES:CN(C)c1ccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHODQCZASLZLJ-MQYXYMALSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3ccc(NCCO)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDQLFAEDZMFED-DFXFOWLGSA-N", "SMILES:Nc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(Br)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUXIJPDDMVJPCU-SKRQURTPSA-N", "SMILES:CNc1ccc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHQIHXCZWZCNR-ZECSIRQKSA-N", "SMILES:CC(C)Nc1ccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCIMJPVVXRTMHU-MPYVGDORSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3ccc(NCc4ccccc4)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJQBGQZFPWEGG-SKRQURTPSA-N", "SMILES:CNc1ccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWLNQHCIWKVJHG-WTMJQUOKSA-N", "SMILES:Nc1ccc2ccc(OC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQZYIFYRCWVICH-GVXRKXQCSA-N", "SMILES:Nc1ccc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBFXROFEOCTGQ-GVXRKXQCSA-N", "SMILES:Nc1ccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTNLPCXTLVTAKT-KCITZHQASA-N", "SMILES:Nc1ccc2ccc(CO[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOPOVHZAUJHHD-ZYWWQZICSA-N", "SMILES:Nc1ccc2ccc(OC[C@H]3O[C@@H](n4ccc5c(NCCc6ccccc6)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMXQSIAXDAVST-CNDUHNDJSA-N", "SMILES:CNc1ccc2ccc(OC[C@@H]3C[C@@H](O)[C@H](n4cc(C5CCCC5)c5c(N)ncnc54)O3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYOCSVWXFFIJP-PXOHRUDZSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(CC5CC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRCYPIFXNPTQQ-VGSCBBJJSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C6CCC6)n5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALMGJMBSVIRAB-WJKQRCEYSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C6COC6)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVZLUCGJHLBIJG-PCEGQDSGSA-N", "SMILES:CCc1cc(N)c2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWWSIRCSOACHD-LALUYCJQSA-N", "SMILES:CCCC(=O)c1cn([C@@H]2O[C@H](COc3ccc4ccc(NC)nc4c3)[C@@H](O)[C@@H]2F)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCICBNJZIPJSJF-XQZLXVFMSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cc(C)n(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJPQZEPFUQDCST-WJKQRCEYSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(N6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNVQANHOIQVVRL-XQEONZBOSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ncco5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVULNZOSBJJNKR-PBMSBOGISA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc([C@H]5CCCO5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVULNZOSBJJNKR-WYXMULISSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc([C@@H]5CCCO5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTLCBYTUJRMPFZ-BOFKSZNZSA-N", "SMILES:CCc1cc(N(C)C)c2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLJYHPFZFVSOQ-PDYFWAJUSA-N", "SMILES:CCc1cc(N(C)C2CC2)c2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTSFWWKDWHDPI-JDCTXFJWSA-N", "SMILES:CCc1cc(N(C)CC2CC2)c2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKNAOWBEDIWAH-PDYFWAJUSA-N", "SMILES:CCc1cc(N2CCOCC2)c2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQAURCOIDGAEQ-NPJGLXLGSA-N", "SMILES:Nc1ncnc2c1c([C@H]1CCCO1)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTAQIRHVFZJDP-VGSCBBJJSA-N", "SMILES:CCc1cc(NCCOC)c2ncc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNQLTXKTQVLFOX-UPRLRBBYSA-N", "SMILES:CCc1cc(N(C)CC2CC2)c2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)C[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIARTWJLKZEQSP-RBZQAINGSA-N", "SMILES:CCc1cc(N(C)C2CC2)c2ccc(OC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)C[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAVIVRAWSNCBSJ-WJKQRCEYSA-N", "SMILES:CN(CCO)c1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRYVPRICMJALN-CXEBNRJLSA-N", "SMILES:Nc1ncnc2c1c(CO)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOYMDIJTQZREAD-WMTXJRDZSA-N", "SMILES:Cn1ccc(-c2cn([C@H]3C[C@H](O)[C@@H](COc4ccc5ccc(N6CCC6)nc5c4)O3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPDWLBGIDHKTET-QKNQBKEWSA-N", "SMILES:Nc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](COc2ccc3ccc(N4CCC4)nc3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHBJNCYPVRRNG-UWQCJCJPSA-N", "SMILES:CN(CCS(C)(=O)=O)c1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWXFDPBZPSZLHU-BOFKSZNZSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(C6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBRPOOFYAUMGR-IECBHUPTSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3C[C@H](COc4ccc5ccc(N6CCC6)nc5c4)[C@@H](O)C3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZOAMCQDKNSBQI-QZNHQXDQSA-N", "SMILES:Nc1ncnc2c1c(-n1cccn1)cn2[C@H]1C[C@H](O)[C@@H](COc2ccc3ccc(N4CCC4)nc3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTWDXARIYQBLES-WJKQRCEYSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(N6CC(O)C6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWZSQWVVCBYTM-CXEBNRJLSA-N", "SMILES:CCc1nc2cc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIKVCCPJNPODBC-ITBLURSFSA-N", "SMILES:CNc1nc2cc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTMVJANLZCQEW-INGGGZDUSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc(C(=O)N5CCNCC5)c(N)c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKBUMCNHNUELOM-TWSMVNEUSA-N", "SMILES:CNc1nc2cc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDAZKZWGWOKUBP-CXEBNRJLSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5sc(N6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCXRIDGZFNETR-MIZPHKNDSA-N", "SMILES:Nc1ncnc2c1c(-n1ccc(C(F)(F)F)n1)cn2[C@H]1C[C@H](O)[C@@H](COc2ccc3ccc(N4CCC4)nc3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMKOHBLIWAKQFU-WMTXJRDZSA-N", "SMILES:Cn1ccc(-c2cn([C@H]3C[C@H](O)[C@@H](COc4ccc5ccc(NC6CC6)nc5c4)O3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRYRJCXQJJQGW-QKNQBKEWSA-N", "SMILES:Nc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](COc2ccc3ccc(NC4CC4)nc3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNCSBHOMXSQCA-WJKQRCEYSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(N6CC(N)C6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUVHEKDGAXGWES-WMTXJRDZSA-N", "SMILES:Cn1ccc(-c2cn([C@H]3C[C@H](O)[C@@H](COc4ccc5ccc(N6CC(N)C6)nc5c4)O3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUJBZOCFMIOOJ-UWQCJCJPSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(NC6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQDXGWPFGVYEA-QKNQBKEWSA-N", "SMILES:Nc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](COc2ccc3ccc(N4CC(N)C4)nc3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZJKZCXCWTWMRQ-LOCCHRAXSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H](COc2ccc3ccc(NC4CCC4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXCCVKWYGQEAQI-WJKQRCEYSA-N", "SMILES:Cc1ccn(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(N6CC(N)C6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LROKUTZNPCSZIS-WJKQRCEYSA-N", "SMILES:Cc1ccn(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(N6CC(O)C6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLYFJJRSGGJLKG-RKCFAAOBSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H](COc2ccc3ccc(N4CC(N)C4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYFFYGSAWAOBD-XQZLXVFMSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ncc(N6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPXOPHGGAFETEJ-HJNVTSSZSA-N", "SMILES:CNc1ccc2sc(CC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUUAZBXPCUOGH-LNNXQNCSSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](CCC4CCNCC4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIOCPQHURYKZAG-UMPJEAMMSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H](CCC2CCNCC2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGFHENPHGYFRCF-IULIOSHDSA-N", "SMILES:CNc1ccc2sc(CC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHVWOZROKVCGT-JBRSBNLGSA-N", "SMILES:Cn1ccc(-c2cn([C@H]3C[C@H](O)[C@@H](CCc4ccc5ccc(N6CCC6)nc5c4)O3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWVFVRACFNJPQZ-TWSMVNEUSA-N", "SMILES:CNc1nc2cc(CC[C@H]3O[C@@H](n4cc(-n5cccn5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANHDMLPQURLKC-WJKQRCEYSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(NC6CNC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWHQEODZVXCGLE-YBYABJTHSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(N[C@H]6C[C@H](N)C6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVIQADCHPXESGR-TUNNFDKTSA-N", "SMILES:Nc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](CCc2ccc3ccc(N4CCC4)nc3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHIAGQXJTIGFLN-PCEGQDSGSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](CCc4ccc5cnc(N6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTFRZDXPKCXPKQ-GSXZSNAISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5cnc(NC6C7CC6C7)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGZQWHXOPRBAM-NZGLATFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5cnc(N[C@H]6C[C@@H](N)C6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQDNYQLBLUREAX-IFZRMHHFSA-N", "SMILES:CN(c1ncc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQUMERETQBILG-ZXFVZMFRSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H](COc2ccc3cnc(N[C@H]4C[C@@H](N)C4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAYFPQLLQRSKB-BKSPAHHJSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3C[C@H](CCc4ccc5ccc(N6CCC6)nc5c4)[C@@H](O)C3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAFPSHMNCHKDJ-BBNRHVKASA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5cnc(NC6CC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWONDAXSARRCQK-ITBLURSFSA-N", "SMILES:CNc1nc2cc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMFVPMXHELBSIA-MZKRTTBSSA-N", "SMILES:CCNc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(-n5cccn5)c5c(N)ncnc54)C[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXHAZNQLFORMX-ROKPMTFOSA-N", "SMILES:Nc1ncnc2c1c(-n1cccn1)cn2[C@@H]1C[C@H](CCc2cc3nc(N4CCC4)ccc3cc2F)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQYOZDIZHKUJR-OLIRRTGVSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3C[C@H](CCc4ccc5ccc(N6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFUYNDVFLHMNSM-UWQCJCJPSA-N", "SMILES:Nc1ncnc2c1c(C1CCCC1)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQCEQVAMXMSNZ-HTCVQUQYSA-N", "SMILES:CC1(C)COC(c2cn([C@@H]3O[C@H](COc4ccc5ccc(N6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJURGGZCPNMULV-XQZLXVFMSA-N", "SMILES:CN(C)Cc1cn([C@@H]2O[C@H](COc3ccc4ccc(N5CCC5)nc4c3)[C@@H](O)[C@@H]2F)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPRSCMQTDEZGL-WJKQRCEYSA-N", "SMILES:Nc1ncnc2c1c(-c1cnccn1)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKGOODIBJXZNH-PVFWEKFRSA-N", "SMILES:CN(C)C(=O)c1cn([C@@H]2O[C@H](COc3ccc4ccc(N5CCC5)nc4c3)[C@@H](O)[C@@H]2F)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVQANWPRLPWBI-PFPNGXIJSA-N", "SMILES:COCCN(C)C(=O)c1cn([C@@H]2O[C@H](COc3ccc4ccc(N5CCC5)nc4c3)[C@@H](O)[C@@H]2F)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSBIECDHODWHO-WJKQRCEYSA-N", "SMILES:Cc1ccn(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(N6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKNBHUNFMJTGK-PVFWEKFRSA-N", "SMILES:Nc1ncnc2c1c(-c1ncco1)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HROBTSPMTYYLKD-MXKZQLQBSA-N", "SMILES:Nc1ncnc2c1c(-n1ccc(C(F)(F)F)n1)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYVEGPTAFTCAO-OAEAKRNZSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C(O)C5CC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZIVZOMXUPDAH-CXEBNRJLSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cc[nH]n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPAIYWAULVIGY-FGSUIDRYSA-N", "SMILES:C=CCc1cn([C@@H]2O[C@H](COc3ccc4ccc(NC)nc4c3)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDUQWMLACTYBL-WJKQRCEYSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cccc(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPARKLXJHVYPT-GCQDIAHQSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(F)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBSYSARQUCLON-WJKQRCEYSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccc(C)cn5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLTFGQFHFVEFTL-IFZRMHHFSA-N", "SMILES:CCc1cc(NC)c2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFZVWQXBGJSMQ-WJKQRCEYSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cn(C(C)C)cn5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHBGXDWIVZWUNL-TWSMVNEUSA-N", "SMILES:CCNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Cl)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTCLDNGTQXWAJI-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-n1cccn1)cn2C1CC(COc2ccc3ccc(NC4CCC4)nc3c2)C(O)C1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLFSAXYAJVDYMR-HAXDFEGKSA-N", "SMILES:Cc1cn([C@@H]2O[C@H](COc3ccc4ccc(N)nc4c3)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZXCVJMHBRIQH-PXOHRUDZSA-N", "SMILES:Cc1cn([C@@H]2O[C@H](COc3ccc4ccc(NCC5CC5)nc4c3)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMEJIBLCAYZALI-CIVUBGFFSA-N", "SMILES:CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWGKKFWZYVGJL-SSYAZSBWSA-N", "SMILES:Cn1ccnc1-c1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWXAJYTMNGYFG-XNWPKKHHSA-N", "SMILES:CN(C)Cc1cccc(OC[C@H]2O[C@@H](n3cc(Br)c4c(N)ncnc43)[C@@H](F)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXCAOWMLVLPML-HSGBFHSBSA-N", "SMILES:Cc1cc2c(N)ncnc2n1[C@@H]1C[C@H](COc2ccc3ccc(N)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGTXQLQMLVEFJ-SKRQURTPSA-N", "SMILES:Cc1cc2c(N)ncnc2n1[C@@H]1C[C@H](CCc2ccc3nc(N)ccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRIRLRVXTRGZKV-CKLFDVLTSA-N", "SMILES:Cc1cc2c(NCCc3ccccc3)ncnc2n1[C@@H]1C[C@H](CCc2ccc3ccc(N)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQDDFJJWCOHIKJ-SKRQURTPSA-N", "SMILES:Cc1cc2c(N)ncnc2n1[C@@H]1C[C@H](CCc2ccc3ccc(N)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDWQJAMQBBGRDO-IAECCPNBSA-N", "SMILES:Cc1cn([C@@H]2C[C@H](CCc3ccc4ccc(N)nc4c3)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDLVCCRUYFRJLR-OXQGGJHDSA-N", "SMILES:CNc1ccc2cnc(OC[C@H]3O[C@@H](n4cc(Br)c5c(N)ncnc54)[C@H](O)[C@@H]3O)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNDASAFAJIVHM-OYRIPWCXSA-N", "SMILES:Nc1ccc2ccc(OC[C@H]3O[C@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNYMBIFKUUKKH-WLWJZTKJSA-N", "SMILES:Cc1cn2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXJCRDBLWRQJKP-UMWDTMKUSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3c(OCC4CC4)ccnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMSWDOKPMTFIY-AUTMPROSSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3c(OCc4ccccc4)ccnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTLPIRRBOVTEQJ-XKDXWZMYSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3[nH]cnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGAOESAKLLFFR-CCOBIDFTSA-N", "SMILES:O[C@@H]1[C@@H](CCc2ccc3[nH]ncc3c2)C[C@@H](n2ccc3c(NCCc4ccccc4)ncnc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHCPMWMAFSTVPI-NLIITUHUSA-N", "SMILES:Nc1ccc2cc(OC[C@H]3C[C@@H](n4ccc5c(NCCc6ccccc6)ncnc54)[C@H](O)[C@@H]3O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZLADFOYKUVMG-PIKADFDJSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3[nH]ccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKHAZKHLUAFKO-QYHDQYMBSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3[nH]c(=O)[nH]c3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJOELPKXRGLMJ-HSGBFHSBSA-N", "SMILES:CN(C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)c1ccc2ccc(N)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAAMUKWCLOMHO-DXEWXGHRSA-N", "SMILES:NC(=O)Nc1cccc(CC[C@H]2C[C@@H](n3ccc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPAAJMGDJDXINR-OBZTUIKSSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2cccc(NC(=O)C3CC3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUYQKBAEWBJYSJ-CEYYOHNYSA-N", "SMILES:Nc1ccc2cc(CC[C@H]3C[C@@H](n4ccc5c(NCCc6ccccc6)ncnc54)[C@H](O)[C@@H]3O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNLQPIFEJZTIMN-LIRZEXBASA-N", "SMILES:CNC(=O)Nc1cccc(CC[C@H]2C[C@@H](n3ccc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJEFERWMXXJTCO-KORVSZGISA-N", "SMILES:Nc1cc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWTSHCNMZOIUEQ-PIKADFDJSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3cc[nH]c3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEDOKJXZUMPTN-ZECSIRQKSA-N", "SMILES:CCCNc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3ccc(N)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUBLUXUXPWEHM-XKDXWZMYSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3cn[nH]c3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWAGNGFMEFXDOQ-XFHKCVFHSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3scnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUIYJVMSFQZMGU-XKDXWZMYSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3[nH]ncc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYHBICOAICVVEQ-NOOVBMIQSA-N", "SMILES:Nc1ccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJINZRJMJSHPSZ-WTMJQUOKSA-N", "SMILES:Nc1ccc2ccc(NC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYUJSQPWBJEHR-NOOVBMIQSA-N", "SMILES:Nc1cccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOJAHUXMGQGQRV-QZQBRAAYSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3cc(C#Cc4ccccc4)cnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNWDUAMBWOOTOA-YWSWHFDRSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2cccc(=O)[nH]2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFITZPAHQARGSO-XZDPQHSOSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2cccnc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKPRXYOLNDFEW-SRMUXQRQSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccccn2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPDDIGFUMUGCW-SKRQURTPSA-N", "SMILES:Cc1nc(N)c2ccn([C@@H]3C[C@H](CCc4ccc5ccc(N)nc5c4)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASCYGERTCOYYRX-ZECSIRQKSA-N", "SMILES:CCCNc1ccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBUPSNKTFALHE-MHBOXNGFSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3ccc(Nc4ccccc4)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTIZUXUCTWCIZ-CJODITQLSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2cnc3cccnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEZBYFCOJDLRHS-CJODITQLSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3cncnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVRZJIDZCMPAW-LIRZEXBASA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3cccnc3n2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFDEHPBAPBNRN-SKRQURTPSA-N", "SMILES:CNc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3ccc(N)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKDPWGUKDUVGT-CJODITQLSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3nccnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWZIDPJXUYRID-OBZTUIKSSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3ccncc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUEIOZOSEXCRNL-DAQNBYSMSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3ccc(NCC4CC4)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINDTHWOOIIELL-OBZTUIKSSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3cccnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHTFKIWYIRKJRV-CEYYOHNYSA-N", "SMILES:Nc1ccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(NCCc6ccccc6)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVESJWXMBKLUBS-PSAKCFHXSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3cc(Br)cnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTJOCWGZZCRNY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOYYRWIODIPBKP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3c(N)cccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVGFFJMDHJFVIT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJRFZSVVCIFKU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3cc(C)ccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDLILPUSNCEQGL-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(NC3=NC(c4ccccc4Cl)C(C(=O)Nc4cc(C(=O)O)ccn4)=C(C)N3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCDQZFNEZDQYQG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(C)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEKOVMOUOXRRNT-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC3=NC(c4ccccc4Cl)C(C(=O)Nc4cc(C(=O)O)ccn4)=C(C)N3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMHCNOUDQQYMDI-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3c(F)cccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKAOSMFESFMJD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3cc(Cl)ccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFORELICOOVIV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3cccc(F)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQBFPWYZYZZVCY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3c(Cl)cccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAQHXPQEXFINRM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3cc(N)ccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZHSHMWVSZDUJC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3cc(F)ccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PITRWFOGIYLGLH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(Cl)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPTZTLTUXNLMI-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3cccc(C)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MISAKDFTIZDOGF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3cccc(C(F)(F)F)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGRKXWRTJJICV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3cccc(Cl)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNWMOGRRQNJGU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3c(C)cccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTJOCWGZZCRNY-NRFANRHFSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)[C@H](c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTJOCWGZZCRNY-OAQYLSRUSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)[C@@H](c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXHYGJQQWXATB-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(NC3=NC(c4ccccc4Cl)C(C(=O)Nc4cc(C(=O)O)ccn4)=C(C)N3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZMQPAJGAZXYDI-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3cccc([N+](=O)[O-])c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVGFFJMDHJFVIT-FQEVSTJZSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)[C@H](c2ccccc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVGFFJMDHJFVIT-HXUWFJFHSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)[C@@H](c2ccccc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYISQYADBTEBR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C(=O)O)cn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USCUWYVBZFCGQW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)O)cc1NC(=O)C1=C(C)NC(Nc2nc3ccc(F)cc3o2)=NC1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKMAVONCQPSAL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccc2C)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGIZJOXPIVDUFD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccc2Cl)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPABERPSCITYIA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccc2F)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTJFJYSHYKOGX-QFIPXVFZSA-N", "SMILES:COC(=O)c1ccnc(NC(=O)C2=C(C)NC(Nc3nc4ccc(F)cc4o3)=N[C@H]2c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTJFJYSHYKOGX-JOCHJYFZSA-N", "SMILES:COC(=O)c1ccnc(NC(=O)C2=C(C)NC(Nc3nc4ccc(F)cc4o3)=N[C@@H]2c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQSXTSLLBANAD-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)C1=C(C)NC(Nc2nc3ccc(F)cc3o2)=NC1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTDQUTKSLPHSTG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cn(C)cn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZOEMBISYKQMZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2nn[nH]n2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIECFHPAKWVPGG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C(N)=O)cn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXAMDSONMRSDGP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(CO)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHOLQTZOCEMCP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(N)=O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSPXXCYURNISI-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C#N)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYAAHYKXVMKPA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C#N)cn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOTMIEKKSYFQMU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(-c3nn[nH]n3)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPKXWUDXKZFMG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(CO)cn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVWLJDLSWPURZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSCDNKHORDISMT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILNGMPHJYGRKBF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(F)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUONSJTXSNHQQV-UHFFFAOYSA-N", "SMILES:COc1ccc(C2N=C(Nc3nc4ccc(F)cc4o3)NC(C)=C2C(=O)Nc2cc(C(=O)O)ccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHVSWHDLBNALW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(Cl)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVUDOVCCSKKBDZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2cccc(F)c2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZPGHKFSYIZMA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2cccc(Cl)c2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMMSBOCVHJRSA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASJUJGKPHSFXGN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2cccc(C(F)(F)F)c2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGADBFKWCDXRK-UHFFFAOYSA-N", "SMILES:COc1cccc(C2N=C(Nc3nc4ccc(F)cc4o3)NC(C)=C2C(=O)Nc2cc(C(=O)O)ccn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUONSJTXSNHQQV-QFIPXVFZSA-N", "SMILES:COc1ccc([C@@H]2N=C(Nc3nc4ccc(F)cc4o3)NC(C)=C2C(=O)Nc2cc(C(=O)O)ccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUONSJTXSNHQQV-JOCHJYFZSA-N", "SMILES:COc1ccc([C@H]2N=C(Nc3nc4ccc(F)cc4o3)NC(C)=C2C(=O)Nc2cc(C(=O)O)ccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMMSBOCVHJRSA-QFIPXVFZSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)[C@H](c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMMSBOCVHJRSA-JOCHJYFZSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)[C@@H](c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRRVKNOFBAJZFP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(N3CCCC3)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCJQZITXSHYXKK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(N3CCCCC3)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHLYCZPYQNEOIM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(N3CCOCC3)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DREZDBNKRFLSRM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(-n3cccn3)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMGCHBMHNAGUPM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(C(F)(F)F)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLHBTROWKSWOLL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(Br)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOLPTKFMWJAAN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2cccc([N+](=O)[O-])c2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRKXQSZNWDSBOA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2cccc(N)c2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRMOVMJNREKBC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(-c3ccccc3)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWCVMOJCGHGOI-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(C#N)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCYWXEFDWKOBHZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2N=C(Nc3nc4ccc(F)cc4o3)NC(C)=C2C(=O)Nc2cc(C(=O)O)ccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWJXBFZCVCIBQX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFLWZLSCXJHEM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(-c3ccc(C)nc3)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCGICHLRHOBJZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(-c3ccc(C(F)(F)F)nc3)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOMMOKDDGLBNX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(-c3cnc(C)nc3)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYHOAZMGAJCZJL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(C(=O)O)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APZXVKYJHNVQAZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2cc(C(=O)O)ccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQZRJRDOZDDJD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(-n3ccnc3)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCVHBTQRAKSBDE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Br)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYZHRHEDKBWGR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2cccc(C(N)=O)c2)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSNSNDDOFXVXSA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2cccc(C(F)(F)F)c2)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKUMHSPZSVAFDN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2cccc(S(N)(=O)=O)c2)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBHDSUSGZJOGE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRHEBFMPAPHOP-UHFFFAOYSA-N", "SMILES:COc1ccc(C2N=C(Nc3nc4cccc(N)c4o3)NC(C)=C2C(=O)Nc2cc(C(=O)O)ccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKASPASNEFPXKJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRDZZIDQNPGSMQ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccccc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTJLSJPIOOTQQU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBHDSUSGZJOGE-OAQYLSRUSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)[C@@H](c2ccc(C)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBHDSUSGZJOGE-NRFANRHFSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)[C@H](c2ccc(C)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRHEBFMPAPHOP-OAQYLSRUSA-N", "SMILES:COc1ccc([C@H]2N=C(Nc3nc4cccc(N)c4o3)NC(C)=C2C(=O)Nc2cc(C(=O)O)ccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRHEBFMPAPHOP-NRFANRHFSA-N", "SMILES:COc1ccc([C@@H]2N=C(Nc3nc4cccc(N)c4o3)NC(C)=C2C(=O)Nc2cc(C(=O)O)ccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXGYYUMCYRVRHX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(-c3nn[nH]n3)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQRBHVFODMWVIK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(N(C)C)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMFZUZJKTQEPGY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(N(C)C)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQAWTXSHOMUPCE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccnc(NC(=O)C2=C(C)NC(Nc3nc4cccc(N)c4o3)=NC2c2ccc(C)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCUXBJHWFZWDBM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(B(O)O)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DACRBUJDKSNXOT-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC3=NC(c4ccccc4Cl)C(C(=O)Nc4nnc(-c5cccnc5)s4)=C(C)N3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHJNQWDRMHPDG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(-c3cccnc3)s2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(Cl)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVLQJOBLHXWXBT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(-c3cccnc3)s2)C(c2ccccc2Cl)N=C(Nc2nc3cc(C)ccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDUPMXVKMBTMLH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(-c3cccnc3)s2)C(c2ccccc2Cl)N=C(Nc2nc3cc(F)ccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJGVBIILBPZRV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(-c3cccnc3)s2)C(c2ccccc2Cl)N=C(Nc2nc3cc(Cl)ccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GANIETUNTBXBLS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(-c3cccnc3)s2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXIKSLOIAPNLAO-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(-c3cccnc3)s2)C(c2ccccc2Cl)N=C(Nc2nc3cc(N)ccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSHHDCODVDCHZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ncccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPVWVPHMKCNFT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2ncc(-c3ccccc3)o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDBRVJLCGATJN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cnccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLOYUYDOVPKGNY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ncccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRISCQWNVXZSC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cnccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYVDTYKROFRHLV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cccnc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRGARWRZMRCAAW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cccnc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNCMAYWCUJRBJA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3c(o2)CCCC3)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWBHPSVFDBPGT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(Cc3ccccc3)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSEBRZOFBRSDKU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2c(C)nn(C)c2C)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBAYQSHJIJTSSP-UHFFFAOYSA-N", "SMILES:CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)cc4o3)=NC2c2ccc(C)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOJCLKQDVIQQMZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2c(C)nn(C)c2C)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBMLAOLZPFDWCB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(Cc3ccccc3)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTJLSJPIOOTQQU-NRFANRHFSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)[C@H](c2ccc(C)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTJLSJPIOOTQQU-OAQYLSRUSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)[C@@H](c2ccc(C)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVVZPSODZRENI-UHFFFAOYSA-N", "SMILES:CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4cccc(N)c4o3)=NC2c2ccc(C)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINVWDFGTMOUCT-UHFFFAOYSA-N", "SMILES:CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4cccc(N)c4o3)=NC2c2ccc(F)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOBMDSKIWTRNX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(F)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYGGNAJVPTNEY-UHFFFAOYSA-N", "SMILES:CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4cccc(N)c4o3)=NC2c2ccc(Cl)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMSNSLUKFTKOD-UHFFFAOYSA-N", "SMILES:CCn1cc(C(C)NC(=O)C2=C(C)NC(Nc3nc4cccc(N)c4o3)=NC2c2ccc(C)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYGRVFSNUCLUOR-UHFFFAOYSA-N", "SMILES:CCn1cc(C(C)NC(=O)C2=C(C)NC(Nc3nc4cccc(N)c4o3)=NC2c2ccc(Cl)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBESMNQCHAPWSK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(Cl)cc2Cl)N=C(Nc2nc3cccc(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQNCWSYOIYYFD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2C)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYXWIOZZAOICJH-UHFFFAOYSA-N", "SMILES:CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=NC2c2ccc(C)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPSGQKPZSLFNCS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)c(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFDXYHODIQVHQH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(Cl)cc2Cl)N=C(Nc2nc3ccc(F)c(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBROKLWZITMLD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)c(C(=O)O)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXPQIIMWJRORO-UHFFFAOYSA-N", "SMILES:CCn1nc(C)c(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=NC2c2ccc(C)cc2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMLHZWYARFHBC-UHFFFAOYSA-N", "SMILES:CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=NC2c2ccc(Cl)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKEVXQAGQICIKO-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(CC(F)(F)F)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)c(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCTXMGQEHLHJJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C(C)(C)C)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccc(F)c(N)c3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQQRDNBRMRPFH-UHFFFAOYSA-N", "SMILES:CCn1ncc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=NC2c2ccc(C)cc2Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYXWIOZZAOICJH-JOCHJYFZSA-N", "SMILES:CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=N[C@@H]2c2ccc(C)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYXWIOZZAOICJH-QFIPXVFZSA-N", "SMILES:CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=N[C@H]2c2ccc(C)cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSFSLQRQOMHCQ-UHFFFAOYSA-N", "SMILES:CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=NC2c2ccccc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIOUXCACRNQLEW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYEBBVZYECEJPF-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXNSBSFWSKZAW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWLOJPVNUURASB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2Cl)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHRXHPDNOBPDJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cccc(C(=O)O)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPYKBLSOHKALEJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C(=O)O)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXHZLTZIOXCTSR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cccc(CO)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMHFRHVCSXQOM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)N2CCOCC2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOFJFSFQLFVBIS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALHOXUFIGYIJC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cccnc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVNDGCKSCDFYGN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(Br)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKQKSVZADCHEG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(N(C)C)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRGUKUGDNIFSLA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(Cl)cn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVWSZHCPFBCMP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3sc(C)nc3c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJSSLNWRWLHYTK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2CO)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTQSFFWGPPQBL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2F)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQWWLRHZDUFRIM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cccc(F)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXVIMPMRWEEPG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2C(=O)O)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFGBVHXCDRABFL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(CO)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILUIYRPNUQMWCZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2O)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMWGDIMDTWLJRZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(O)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEATYEDNDDEZOE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEUDVCCMRNCGMG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C(=O)O)nc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVBXXYGLLMIBDH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(CO)nc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANBHCFGPRGAKEU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWRCPPGEITZZEW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(C(F)(F)F)s2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSEFWZKYONQFCH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nnc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMAFYGQFZUPJGB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(CN)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKDWURTSGRLFS-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1ccc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKQNTGRTHZHZEP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cccc(CN)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVQNHVPXGQWSV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAIHXGUIBHXWGO-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(C)s2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKBSNWEPKITDE-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1nnc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUAOOUGRFOIPL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cccc(-c3nnn[nH]3)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LECXWMXZZKCFAV-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1cccc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTYFFVCMPJVQC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cccc(C(N)=O)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCWJOJTNJDFLK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cccc(-c3cn[nH]c3)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOMQTAPOLRVUNB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(-c3cn[nH]c3)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNVJLGLKMYYCX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(-c3cccnc3)s2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COXPNHLVDNFSII-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C(N)=O)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMMABAYADZTYCZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMBJGSIPJAVEP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(CN3CCOCC3)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLIXOJDGLQVLB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(-n3cccn3)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSFJTESIPBPDSK-UHFFFAOYSA-N", "SMILES:COC(=O)c1nnc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPEOIKSUXLEXKL-UHFFFAOYSA-N", "SMILES:COC(=O)c1csc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMQWCZBXCYPOL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(-c3ccncc3)s2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNMMBITUZVTCB-UHFFFAOYSA-N", "SMILES:COC(=O)c1cncc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGCXVVHVWZESA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C#N)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVZFLNMFBRBFJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(N3CCNCC3)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RODZMWXFGSVOHF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(-n3cncn3)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSFNRQRXYYNBSJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(-c3nnc[nH]3)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRIQFLAIUMPOZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ncc(CO)s2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMZNQVSNBLMMB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKKNATLQMBGJDU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cccc(C(=O)O)n2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGPGUXHWOBZRO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccnc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNUKWFZDXASFD-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJNYOBGKKERSM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nc(CO)cs2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEWAHXMKAVVPA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ncc(C(=O)O)s2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQGHGKMHZLIZLZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nc(C(=O)O)cs2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABVPRLNKELUNHS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cccc(CCO)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTQMHQQHIGQUSQ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cncc(C(=O)O)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCQFVEPSPSOBAA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccnc(C(=O)O)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJYXVFSYQNPQAO-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDMXDSYMVGCPIA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGPGUXHWOBZRO-QFIPXVFZSA-N", "SMILES:COC(=O)c1ccnc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=N[C@H]2c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMZNQVSNBLMMB-NRFANRHFSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)[C@H](c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMZNQVSNBLMMB-OAQYLSRUSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)[C@@H](c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVGFBFYQNSXOA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccc2F)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMIOOYFYJMSSR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(CO)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVHUWVHRIVODMS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(N)=O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWMVALVNZGJXHY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccnc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMMFXMBFEIZQJX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLGNOYNDCFFRER-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=NC1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQAAGYHJGRVNBI-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2ccc(F)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVXAIVQZPBDIW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2ccccc2O)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRPVWVJOKCTBS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2ccccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXWDNITOIDGDK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cccnc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSUBLANFNMBIBS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=NC1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUZFBPPKIPLCCH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CNC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFPIYEUZHUUASN-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(CNC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLAPBFYLCOCBOH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2ccc(C(=O)O)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDODKKHSWGGIA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cccc(C(=O)O)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEOGZWXOINQWDU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cccc(CO)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRITNDGESRQPJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2ccc(CO)cc2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFPXEVGXVVDSK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2ccccc2CO)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQKGRBLUZXVPQU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cncn2C)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSTSAHVFDYZBJC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2nccn2C)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWBBFAAIRMTVAB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cncs2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEMCTFTVJXVEJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cn(C)cn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAGKQSVXXSPNG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2nc3ccccc3n2C)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEMCTFTVJXVEJ-NRFANRHFSA-N", "SMILES:CC1=C(C(=O)NCc2cn(C)cn2)[C@H](c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHBBZBRRGVWEU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCN(C)C)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYOSCKWUAMQPCV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWPKHCBQCTTDT-UHFFFAOYSA-N", "SMILES:COP(=O)(OC)C1=C(C)NC(Nc2nc3ccccc3o2)=NC1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEGWKVZURHZNN-UHFFFAOYSA-N", "SMILES:CC1=C(S(C)(=O)=O)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOKQAFBWYEAFA-JVWAILMASA-N", "SMILES:O/N=C1\\CCCC2=C1C(c1ccccc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAOMLADTQFZJSQ-UHFFFAOYSA-N", "SMILES:O=C1NCCC2=C1C(c1ccccc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLNUHRVGNGLTIN-UHFFFAOYSA-N", "SMILES:O=C(Nc1nncs1)C1=C(C(F)(F)F)NC(Nc2nc3ccccc3o2)=NC1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENKHHRMXNTORW-UHFFFAOYSA-N", "SMILES:COCC1=C(C(=O)Nc2nncs2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFHTZXGXLCXMMZ-UHFFFAOYSA-N", "SMILES:CC(C)CC1=C(C(=O)Nc2nncs2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIYFTDPQVPOORO-UHFFFAOYSA-N", "SMILES:O=C(Nc1nncs1)C1=C(c2cnccn2)NC(Nc2nc3ccccc3o2)=NC1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHVFUHTVZPJESB-UHFFFAOYSA-N", "SMILES:CC(C)C1=C(C(=O)Nc2nncs2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFPDPXMFIFAMA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJOSQCTBQHIIF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C2(CCCC2)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBHCOJPBNMRJIK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLYIQGFHDGUIJS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2n[nH]cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDUFURUQOWARHL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2ccncc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRUQUHIJQKAINI-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2ncccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGVCHQDBTVXFY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2ncccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDATSPCWGADMX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2c(Br)cnn2C)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTXNIZYDRDRYAT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C2(CCOC2)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXBBBHIOQCAIA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2ccc(Cl)cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLGGUAGSFSYKK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2cccnc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBVXHZOYYKTOD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2ccccc2C(F)(F)F)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRAIJWEWMAHHK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENICAVYVHZDOV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2nn(C)cc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYBRFGAKCXGOTE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2N=C(Nc3nc4ccccc4o3)NC(C)=C2C(=O)Nc2nncs2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGFINVTYKJBONN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2ccccc2C)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSZPEFKQSUOFEB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2n[nH]cc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAKBBNOTGMEAAU-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(C2N=C(Nc3nc4ccccc4o3)NC(C)=C2C(=O)Nc2nncs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANQQQIDNPLRLQZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C(c2cc(Cl)ccc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVKXYOMVLCLIAC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nncs2)C2(CCSCC2)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOUKCDQIJJOKNZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVURJIICXQRFF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWGKUNUCYUREM-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1C(Nc2nc3ccccc3o2)=NC(c2ccccc2Cl)C(C(=O)Nc2cc(C(=O)O)ccn2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFPVIOYERZRFSN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYAZCEPYBWRWEF-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)O)CC2=C1C(c1ccccc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPCZHPMHSFPEJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC2c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLJDSVFVOMWTH-UHFFFAOYSA-N", "SMILES:CNC(=O)C1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC2c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTTSGYSVDBVDGF-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)NCCO)CC2=C1C(c1ccccc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBTAMIBSNFPFOP-UHFFFAOYSA-N", "SMILES:COCCNC(=O)C1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC2c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEDPMJLAIYZGIG-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)Nc2nncs2)CC2=C1C(c1ccccc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKYOUHDLRGIALP-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)N2CCNCC2)CC2=C1C(c1ccccc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXJULPQYSVERSQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)C1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC2c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLVDIJRVCDSTPB-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)C1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC2c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPMXAUDSAYVFOR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNIAYXUJCSWQRS-NWVSJNKTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEQXACAEGGPLJ-ZESCQCPNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYZOUIJJKZBMFX-PRZLOVSESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVHVRGDXLSIEGE-LKNGSPAHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POXYYUCJPKWULA-UXDGKVKASA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADDVLGUGQIQSK-MLLHWJJZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFQTDZOCZPPCB-MPBAHQQLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEIAOIUXPYGIF-DRFPSUHWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRJNFJTUXZVAHI-MVRGSUCHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCTZKXFEIKKURA-OYQPPJIOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZLJWYNPALXEA-YRCNBONMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C"]}
{"name": "G-protein coupled receptor 15", "xref": ["CHEMBL.TARGET:CHEMBL4523866"], "id": "UniProtKB:P49685", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysophosphatidic acid receptor 4", "xref": ["CHEMBL.TARGET:CHEMBL5968"], "id": "UniProtKB:Q99677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1550921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQBNDSMQUYESIY-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCC1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1347128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDNVTCDQGOVLPM-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1394660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABBAGSWCAZEQSA-UHFFFAOYSA-N", "SMILES:CC1(C)N=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNKQEUBUVUTNJ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)CC2=C1C1(CCCCC1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1392282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPQQSNHDLDFLL-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1521189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSVUZCYBPFVTKE-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1513361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBUYAIXSCJZNI-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)CC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1396106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTZCYPFONIAPW-UHFFFAOYSA-N", "SMILES:O=C1CCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1551791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTDGEOKLORROMI-HHPDBAQJSA-N", "SMILES:O=C1CCCC2=C1[C@@]1(CCC(c3ccccc3)C1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1473243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HULJMBBIVDHUSK-UHFFFAOYSA-N", "SMILES:CC1CCC2(C1)N=C(Nc1nc3ccccc3o1)NC1=C2C(=O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1550991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIJHBIEYHZQLF-UHFFFAOYSA-N", "SMILES:O=C1CCC2=C1C(c1ccccc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1550982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSAYTXZACWKODG-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccccc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1393992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOFPKNOWAZVTNF-UHFFFAOYSA-N", "SMILES:CCC1CCC2(C1)N=C(Nc1nc3ccccc3o1)NC1=C2C(=O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1592497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGFWCVMRBGZKI-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3cc(Cl)ccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1437889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQRFIAFNAYWPY-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCSC1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1398279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYBIUNPUXNFLKU-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCSCC1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1314062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQHVIMEDIPXDG-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCCOC1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3392441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFAPXCHZDSSEA-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCS(=O)(=O)C1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1593913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCGNFYVCXLTUEU-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3cc(-c4ccccc4)ccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1550983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYMVEHVNNYORLV-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(NC3=NC4(CCCC4)C4=C(CCCC4=O)N3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1433356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWKSQYQIHRCBC-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3cc(Br)ccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1472453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROBCWOKJNCDQED-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NC3=NC4(CCCC4)C4=C(CCCC4=O)N3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1732151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRTDJVOIANPFTP-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3cc4ccccc4cc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVAMOESLIVIBCJ-UHFFFAOYSA-N", "SMILES:Cn1c(NC2=NC3(CCCC3)C3=C(CCCC3=O)N2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1393957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARMRUJDIRJHPL-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCOCC1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1703536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADFEPNTECAWMP-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1cccc(Cl)c1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1708689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHLFDIUEZWOLJQ-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(Cl)cc1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1729947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPDWKLZTGQEFDM-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccccc1C(F)(F)F)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1699815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGQMIHWPNDPNKR-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1cccc(C(F)(F)F)c1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUFDFCYCGQYQBF-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccccc1Br)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1701047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSZHPCKHKEJEW-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1cccc(F)c1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTHIFOVBFAEADB-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1N=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1704390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWAXLBNDWNYVIC-UHFFFAOYSA-N", "SMILES:COc1cccc(C2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1717883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHWSBGPCYQPTAC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDBVGRBBPWZED-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1716978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPDUVHKFVDQJI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1715948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVMKQXBPBCYOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1721263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKJZPSERFJRIS-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1cccnc1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1719286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWRCGMAAWGAEJX-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccncc1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1703825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDQGUZIADZLMN-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(F)cc1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1721704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFKVTASOYCYME-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccccc1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1723282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHDPYQQNPMCPSZ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1701190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJDHTVQFKUSSAY-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccncc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJZUOHBEGSIMD-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ncccc1C(F)(F)F)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGQZAWTVZJLTC-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1cnccc1C(F)(F)F)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCYSYRNVSZAQPL-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1c(Cl)cccc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJIFZAIKLWURJV-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1cccnc1Cl)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEYPDARGNKBIBL-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1cccnc1Br)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEYWPMRWCRGEE-UHFFFAOYSA-N", "SMILES:Cn1ncc(Cl)c1C1N=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNJILHUFHKAKO-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C1N=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDVGCCJEFPTTRT-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccccc1I)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAWXFFMFCHABBA-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ncccc1Br)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAQKTRLQSBTELM-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccncc1Br)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXSYCYOYHOIYQF-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1n[nH]cc1Br)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLLUTHHLDJDASL-UHFFFAOYSA-N", "SMILES:Cn1cc(Br)c(C2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOERFXLQSMWFTE-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccn[nH]1)N=C(Nc1nc3ccccc3o1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMEYXMOOUGGZHO-UHFFFAOYSA-N", "SMILES:Cc1cc(C2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2144212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBGGGFENULXFO-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1n[nH]cc1Cl)NC(Nc1nc3ccccc3o1)=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSUUMZBAOOUHDX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2Br)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEJCBLGVJCIGGQ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSNSMUNFHXDDGW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGVVNXAXWVOJY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCRQUMPEDABRD-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=NC1c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACLGRRHRBSYMY-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFUPJRZHNBTLR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)n2ccc3ccccc32)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCALPRNOKSQJEJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)N(C)c2ccccc2C)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQKIEFOUVGIQRY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccon2)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3968931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCIUIPKNQZQPPE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nccs2)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCMFGGVYPUTXNT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NC2CCCCC2)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNOCEQIKWOYCPO-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEEOBEGYCQWSRN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)N(C)C)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCDATKPKXUQHJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2Br)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSUMSKYCJIHXSB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccon2)C2(CCCC2)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRNNDDXZPXXDDT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nc3ccccc3s2)C2(CCCC2)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALNMLYBUTBDRRL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nc3ccccc3o2)C2(CCCC2)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYWPNZSBIAKOL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccon2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCIIVGRCDTKQJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nc3ccccc3s2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXSRRNBLWSIULY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2noc3ccccc23)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQKNXNJWQAGRAC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NC(=N)SC(=N)c2ccccc2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIBCAIEECKOAE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NC2CC2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJYIEDZBEIDLQF-UHFFFAOYSA-N", "SMILES:CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=NC1c1nn(C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJGMPJNIZDZFW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NC2CCCC2)C(c2n[nH]cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBUFDUDNVJYEB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nc3ccccc3s2)C(c2n[nH]cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGNALRIMZDFTHX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2nnc(-c3ccccc3)s2)C(c2n[nH]cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTPSZPTMOZKQQ-UHFFFAOYSA-N", "SMILES:CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=NC1c1n[nH]cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOTGMAUFBZFHHR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NC2CC2)C(c2n[nH]cc2Cl)N=C(Nc2nc3ccccc3o2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDAJZQXTFDCUGQ-UHFFFAOYSA-N", "SMILES:CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=NC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1705947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBNAUVCKNMWHN-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3n1Cc1ccccc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQLGOGKDQKQAX-QYXZOKGRSA-N", "SMILES:C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C=C[C@]3(C)[C@H]1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5091540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBRNKWMVKROLNN-VRBUCKFRSA-N", "SMILES:C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C(Br)=C[C@]3(C)[C@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDCXOKCJYHVAW-BGZMIMFDSA-N", "SMILES:C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C(C#N)=C[C@]3(C)[C@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRZTUNAGSUOOCU-AGNJHWRGSA-N", "SMILES:C=C1C[C@@]2(C[C@H](C)[C@H]3CC=C(C)C(=O)[C@@H]3O2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDYYNFSHQIDTM-DGFVYPATSA-N", "SMILES:C=C1C[C@@]2(C[C@H](C)[C@H]3CC=C(CO)C(=O)[C@@H]3O2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKECUUNGCZXKIV-RPMKOLLGSA-N", "SMILES:C=C1C[C@@]2(C[C@H](C)[C@H]3CC=C(CO)[C@@H](O)[C@@H]3O2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSBLPNQLFVMEGE-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(NC(C)(C)CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJMLSKOGXCCNG-MRXNPFEDSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N[C@H](C)CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJMLSKOGXCCNG-INIZCTEOSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N[C@@H](C)CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAAAJOAGRJJCFB-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(NCCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGQOOIIBYMRFM-MRXNPFEDSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(NC[C@@H](C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGQOOIIBYMRFM-INIZCTEOSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(NC[C@H](C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSSDNZIYSFPFH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC3(C)COC3)cc2N2CCC3(CC2)CC3)nc(OCCC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNADHUFFTBOEEP-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC3(C)COC3)cc2N2CCC3(CC2)CC3)nc(NC(C)(C)CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZOYRSQKQQVQQO-UHFFFAOYSA-N", "SMILES:CC1(NS(=O)(=O)c2ccc(C(=O)Nc3ccnc(C(C)(C)O)n3)c(N3CCC4(CC3)CC4)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMKVCNRHUPELX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC3(C)COC3)cc2N2CCC3(CC2)CC3)nc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOQGLNVPXBUCK-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2nccc(NC(=O)c3ccc(S(=O)(=O)NC4(C)COC4)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKBHZGLYSDQIJZ-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC3(C)COC3)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIRIHHJZSDATMZ-UHFFFAOYSA-N", "SMILES:CC1(NS(=O)(=O)c2ccc(C(=O)Nc3ccnc(N4CCC(F)(F)CC4)c3)c(N3CCC4(CC3)CC4)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYOHPXUWGZKJLH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC3(C)COC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJNVQDXNLUTQX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMEZHMAUPVJCLI-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(c2nccc(NC(=O)c3ccc(S(C)(=O)=O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUDPXYCILQQGPZ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKANPPMADPXNT-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084301", "category": ["biolink:ChemicalEntity"], "name": "AMG-650", "xref": ["InChIKey:KBDGEJDIHZDPHN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"], "synonym": ["Amg 650", "Amg-650", "Sovilnesib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCRYQGHHMGOJZ-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCRYQGHHMGOJZ-IBGZPJMESA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKIPIBLLIUQIIU-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CF)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXZSAKKKNNOQA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CF)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCQGLVASJYZJOU-GOSISDBHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CF)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVBEKFEGVZCDX-GOSISDBHSA-N", "SMILES:C[C@@H]1CN(c2nccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJZJSRRHKZRQA-GOSISDBHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZHGKKBARSAKU-LJQANCHMSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C)nc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZQIJVGEMUOLR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C)nc(N3CCC(F)(F)CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWARQJPFUPDNSF-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCCO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFPATHBVRINKAD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(N3CCOCS3(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGHMHANNFHUIA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3CCCC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRGXBESXEJUBAU-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3CCC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCWDSTRLGSNMHI-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3COC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEICCDCNIRJJI-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3CCC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFVDBFFUHVUFAV-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZWVEBVYGIHZBH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBEIMVWVKBGNAR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVNSWNZZYIBDRF-UHFFFAOYSA-N", "SMILES:COCCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C)nc(N3CCC(F)(F)CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUQDRLUCJZVJF-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CC3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJVBHABDZPNCEE-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CC3(O)COC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBVQFDNCRLKRJX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WABXBBIVLYFIEY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLHNCPABZNIBS-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDKZFBOJIAEWCT-UXHICEINSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDKZFBOJIAEWCT-WOJBJXKFSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAHRXNBHVAZFBW-RTBURBONSA-N", "SMILES:C[C@@H]1CN(c2nccc(NC(=O)c3ccc(NS(=O)(=O)[C@H](C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTSIFXUOSRFSY-IBGZPJMESA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTSIFXUOSRFSY-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQDSETDVVGILOS-SFHVURJKSA-N", "SMILES:C[C@@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2ccnc(N3CCC(F)(F)CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQDSETDVVGILOS-GOSISDBHSA-N", "SMILES:C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2ccnc(N3CCC(F)(F)CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQTYRJWJKHTTFQ-WOJBJXKFSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C[C@@H](C)O)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQTYRJWJKHTTFQ-VQTJNVASSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C[C@H](C)O)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNRLHQLDQUSNF-QGZVFWFLSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C[C@@H](C)O)cc2N2CCC3(CC2)CC3)nc(OCCC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNRLHQLDQUSNF-KRWDZBQOSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C[C@H](C)O)cc2N2CCC3(CC2)CC3)nc(OCCC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLJMXCTMOQMSW-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)cc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSVHAGOAKHPZRL-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3([C@@H](C)O)CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSVHAGOAKHPZRL-FQEVSTJZSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3([C@H](C)O)CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWIBIYZBPVIPKQ-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C[C@@H](C)O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWIBIYZBPVIPKQ-IBGZPJMESA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C[C@H](C)O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOLVECCMSLJDFR-RBUKOAKNSA-N", "SMILES:C[C@H](O)CS(=O)(=O)Nc1ccc(C(=O)Nc2ccnc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOLVECCMSLJDFR-RTBURBONSA-N", "SMILES:C[C@@H]1CN(c2nccc(NC(=O)c3ccc(NS(=O)(=O)C[C@@H](C)O)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXZDYVMGORDTL-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cc(Cl)c(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZURWNXAOCAIEB-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cc(C)c(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEARACQFCPCJBZ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2cc(C)nc(N3CCC(F)(F)CC3)n2)c(N2CCC3(CC2)CC3)cc1NS(=O)(=O)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSWWPTVTRJTXQS-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBKLZOBBABHOKD-UHFFFAOYSA-N", "SMILES:CCc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZCUKKGSZVKNC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C2CC2)nc(N2CCC(F)(F)CC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWIGTJOZUBAJI-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2nc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)cc(C(C)(C)O)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMWZITIAHMMQMC-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNCBYWLWUKCHU-GOSISDBHSA-N", "SMILES:Cc1cc(NC(=O)c2cc(F)c(NS(=O)(=O)[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNCBYWLWUKCHU-SFHVURJKSA-N", "SMILES:Cc1cc(NC(=O)c2cc(F)c(NS(=O)(=O)[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILPBBDPCAHDSQ-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(c2nccc(NC(=O)c3cc(F)c(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKXFFLWDIIWNGY-GOSISDBHSA-N", "SMILES:Cc1cc(NC(=O)c2cc(F)c(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTYFGUBWREPPF-QGZVFWFLSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C[C@@H](C)O)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTYFGUBWREPPF-KRWDZBQOSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C[C@H](C)O)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVBEKFEGVZCDX-SFHVURJKSA-N", "SMILES:C[C@H]1CN(c2nccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUFLHFFUBAZXAG-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANLFVLKIKLXBK-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDIWNBRQLACCO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCGFGYMTCMTBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(N2CC(F)C2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVRODSRQKPBMO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(N2CC(F)(F)C2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHGWUMHNUMHBO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC3(COC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXGNFNVLMSIMJ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC23COC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMFOPZJEEZLZEA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(OC(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOXIHUWUMQZZOX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALZCTWKWKFMZGT-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(C#N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYJJTINHFCFSQC-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(C(C)(C)O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVSXXLTYCVHDSB-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(C)(O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRUUZKFPKANSK-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(O)(C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKVXUZERIZJBJ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC3(CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUMZBMRYFUZIZ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(O)(C(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIMIRAPPPBIOG-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNLEOURALQEGE-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC(O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXSUAKCYWUNOI-SFHVURJKSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC([C@H](C)O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPCIQUZGAVWNBA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAFKJKGJQUGAQ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3COC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKNPFPWGSFEEY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYMOBLCWSWQIA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTKOYESBXHMJKY-RUZDIDTESA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC[C@@](C)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFHNZQSZUHTIT-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC3CC32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEVGRWBDKDNBKC-KDURUIRLSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2C[C@H]3C[C@H]3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRLPECNZLDJFAD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMHGNLQHYFTAY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVLPLDIXSBMPP-IHZSNKTASA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC3C[C@]3(O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUSTZSPXWUSCPV-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(C#N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRCZHFCCABHTRV-FQEVSTJZSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC[C@@H](C#N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRCZHFCCABHTRV-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC[C@H](C#N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSICABMOWZWUCD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZMKLALZHYRIBJ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVUWHRUVJAJKO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(C)(O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGSKJQIPZNXSJR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCCC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQKGSFGBQDSNA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CCC3)CC2)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTCLZZLRDUVOHV-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC(C)(C)CC2)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTCKCQWECOFYPB-NZVRHLSZSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC3C[C@]3(O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWDWQZYBTVWSC-PMACEKPBSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CC[C@H]3C[C@H]3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTHRIZNNDNROL-KNQAVFIVSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC[C@@H]3C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKANPPMADPXNT-IBGZPJMESA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLVBPISSJPSDCS-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCOC(C)(C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXTLGAASSKMLCJ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCOC3(CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXLJKIMFZVWEP-BGYRXZFFSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2[C@H](C)COC[C@@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXLJKIMFZVWEP-PMACEKPBSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2[C@@H](C)COC[C@@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXLJKIMFZVWEP-WOJBJXKFSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2[C@H](C)COC[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQIWFYBBFPOEW-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFARSZKBZGPJGR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(C)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPEUQLCJGRZBPE-FQEVSTJZSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC[C@H](O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPEUQLCJGRZBPE-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC[C@@H](O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXJXPJFOGAOHC-AREMUKBSSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC[C@@](C)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCYCCKZLBEOHD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(N2CCC(F)CC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPKCIUEVMPGBZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(N2CCC(F)(F)CC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVHKUYODJVMAHY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2c(F)cc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVZXBXFDLHSJGU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(OCCC(F)(F)F)c1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEHDRQNUPGEQRY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)cc(OCCC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEGPLOHPWMJWPX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(OCCC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYEDEDCFUHVPJI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(N2CCC(F)(F)CC2)c1F)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIUAJLKLGKJOR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)c(F)c(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYVNRYNDGBHRFK-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)ccn2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHZLGIXHMWRJAC-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)cc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSGOXUNFGOEGFC-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cc(F)c(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPVHEQUKDFVDO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3(CO)CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGURFGBYZQBRX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3(CO)CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOYCRCDJRGDOQX-IBGZPJMESA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H]3CCOC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOYCRCDJRGDOQX-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H]3CCOC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIWCWUBCGMBAY-NRFANRHFSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H]3CCOC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIWCWUBCGMBAY-OAQYLSRUSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H]3CCOC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIXPZIIDVWUOIW-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMFKXOWBHQLINN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNPKHOENXUHSI-QGZVFWFLSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNPKHOENXUHSI-KRWDZBQOSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQJURLVBWZQKF-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CC3CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEMPDAUDKDYKGQ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(OC(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQWEBKGBWOFHQ-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(O[C@@H]2CCOC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNSPQFPPQLTXJW-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZAVFYIJWWSDGM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C)nc(N3CCC(F)CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDJYASINCOFLJ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOCPDRQFDLVMT-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARVGFBUYXPLBL-IBGZPJMESA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARVGFBUYXPLBL-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDFCLYJWGVKRSI-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)C(C)(C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMRCRNORAPBOZ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)C3COC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZLJMVXSXLDMO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nc(N3CCC(F)(F)CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYVJOOXGGNDLNN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDOLGVCRCZIIHV-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)CC(C)(C)O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZJIMKRXSLKGEG-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKDKSHHKWAYFH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)C(C)(C)C)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHNDTCEMFYKIH-DHIUTWEWSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3COC[C@H]3O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHNDTCEMFYKIH-GOTSBHOMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)[C@H]3COC[C@@H]3O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNBBRVPKWYGXLK-DNQXCXABSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCC[C@H]3O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKDWWJCTPFISI-FQEVSTJZSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@H](CO)CF)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKDWWJCTPFISI-HXUWFJFHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)[C@@H](CO)CF)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYXXKHRZQYDHL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(N2CCC(F)(F)CC2)c1)c1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQIUFYFVRUYDE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(OCCC(F)(F)F)n1)c1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKHOIXOEJSGVFB-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCO)cc2N2CCC3(CC2)CC3)nc(OCCC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUXBEJIIUWPKSN-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZESFWMXGWCYIW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(N2CCC(F)(F)CC2)n1)c1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSKKYGJVKRMMLY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCO)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWLJVEWNPZPHPW-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWLJVEWNPZPHPW-IBGZPJMESA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZMXAJPCCRCLB-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCC(C)(C)O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBYFYJAOIFMFOK-KXQOOQHDSA-N", "SMILES:Cc1cc(NC(=O)c2ccc([S@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBYFYJAOIFMFOK-LHEWISCISA-N", "SMILES:Cc1cc(NC(=O)c2ccc([S@@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRXBGCWPMOBKQ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=N)(=O)C3COC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRWFXFAFGSRKDD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(C)(=N)=O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXXNOCVCAJYOK-DIPNUNPCSA-N", "SMILES:CC[S@@](=N)(=O)c1ccc(C(=O)Nc2cc(C)nc(N3CCC(F)(F)CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXXNOCVCAJYOK-QNGWXLTQSA-N", "SMILES:CC[S@](=N)(=O)c1ccc(C(=O)Nc2cc(C)nc(N3CCC(F)(F)CC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNELBOGMUQPMAM-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=N)(=O)C(C)C)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJWQBZQFKFLHOX-UHFFFAOYSA-N", "SMILES:N=S(=O)(c1ccc(C(=O)Nc2ccnc(N3CCC(F)(F)CC3)c2)c(N2CCC3(CC2)CC3)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYCJYGGYXNVBI-ZQPBCWQSSA-N", "SMILES:Cc1cc(NC(=O)c2ccc([S@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYCJYGGYXNVBI-JGEXTMCWSA-N", "SMILES:Cc1cc(NC(=O)c2ccc([S@@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSDGLACTDMLSX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJXYKYFGAQHALG-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(C(N)=O)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHOUJQGFABPOM-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)C3CNC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXNLBCHONRPEBL-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(S(=O)(=O)C3CN(C)C3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKAYFPBDKZDVDF-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(C3CCN(c4nccs4)CC3)c3cc(CNc4nnc(N)s4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWXKBJNSMNURS-UHFFFAOYSA-N", "SMILES:CC1CN(S(C)(=O)=O)CCC1n1cc(-c2cccc(C(N)=S)c2)c2ccc(N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTSCPOQDBDRCP-UHFFFAOYSA-N", "SMILES:CC1CC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(N)cc32)CCN1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHPGVNRWXBRSAN-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(C3CCOCC3)c3cc(CNc4cc[nH]n4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSFCVZFETMUKOQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CC2CCC1CC2n1cc(-c2cccc(C(N)=S)c2)c2ccc(N)cc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWNWDBORPKOCW-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(C3CCN(c4nccs4)CC3)c3cc(CNC(=O)c4c[nH]c5ncccc45)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPXHBEMIUMXWGJ-UHFFFAOYSA-N", "SMILES:Cl.NC(=S)c1cccc(-c2cn(C3CCN(c4nccs4)CC3)c3cc(CNC(=O)C4CNC4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQMOAPULHOWYCF-UHFFFAOYSA-N", "SMILES:CC1CC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(CNc4nnc(N)s4)cc32)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVVRBMOQKMWJG-UHFFFAOYSA-N", "SMILES:Cl.NC(=S)c1cccc(-c2cn(C3CCC(F)(F)CC3)c3cc(CNC(=O)C4CNC4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGDWJWUYKDOPGI-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnc([N+](=O)[O-])c2NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCOCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWPJADZSCLCEET-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnc(NCc3ccc4c(-c5cccc(C(N)=S)c5)cn(C5CCOCC5)c4c3)c2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPKHNZHVPHJQF-UHFFFAOYSA-N", "SMILES:CCN1CC(C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(c5nccs5)CC4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEQVWKADSCOJQQ-UHFFFAOYSA-N", "SMILES:Cl.NC(=S)c1cccc(-c2cn(C3CCOCC3)c3cc(CNc4nnc(N)[nH]4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZLCUDXPUWTQQ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(CNc4nnc(N)s4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQDQYBPOUQLBPN-UHFFFAOYSA-N", "SMILES:Cl.NC(=S)c1cccc(-c2cn(C3CCN(c4nccs4)CC3)c3cc(CNc4nnc(N)s4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTYCQQRYXRSCT-FGECWFTNSA-N", "SMILES:NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)CCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)CC3)c3cc(CNC(=O)c4c[nH]c5ccccc45)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRCCNHZCTCRGPZ-UHFFFAOYSA-N", "SMILES:COCCC(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCN(S(C)(=O)=O)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYFWTGZAOZUDER-UHFFFAOYSA-N", "SMILES:CC1CN(S(C)(=O)=O)CCC1n1cc(-c2cccc(C(N)=S)c2)c2ccc(CNc3nnc(N)s3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYRVTUBXBEXQX-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(CNC(=O)C4CNC4)cc32)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEUEFWRXWYYNB-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(CNC(=O)C4CN(C)C4)cc32)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJJJUQSAODKTI-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(N)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYFYEDBCVIEBGS-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(N4CCCC4=O)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMDBDJGGBSCON-JLHXZSQLSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSVCDSJWTOEBDD-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCC(n3cc(-c4cccc(C(N)=S)c4)c4ccc(CNc5nnc(N)s5)cc43)CC2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKYYAIUJCSNNHB-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(CNC(=O)C4CCN4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQPPRSOTSYBDL-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(CNC(=O)C4CCCN4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYGYFROXISTKB-UHFFFAOYSA-N", "SMILES:CCCOC1CCNC1C(=O)NCc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCN(S(=O)(=O)C(C)C)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSNXEDSHDUESAW-UHFFFAOYSA-N", "SMILES:CCCOC1CNC(C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(=O)(=O)C(C)C)CC4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPAMMKUZNHEYRT-UHFFFAOYSA-N", "SMILES:COCCN1CC(C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(C)(=O)=O)CC4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHFQHDJOYRTPR-UHFFFAOYSA-N", "SMILES:CC1CN(S(C)(=O)=O)CCC1n1cc(-c2cccc(C(N)=S)c2)c2ccc(CNC(=O)C3CN(C)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXKOVPRAJHSOIW-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCC(n3cc(-c4cccc(C(N)=S)c4)c4ccc(CNc5nnc(N)s5)cc43)CC2)n(C)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVISPOHXEDAWNC-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCN(S(=O)(=O)C(C)C)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHRYSVISLCPPIK-HCGADUKBSA-N", "SMILES:CS(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(NC(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSUXEYOEAYECPO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQPIRBGMTZPGC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(NC(=O)CCCCCNC(=O)c4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRINSBOFLYBYPO-CNACKESASA-N", "SMILES:CS(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABYBPNQEYYHKDH-UHFFFAOYSA-N", "SMILES:Cl.NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CNc4nnc(N)s4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPLVPVJPJSIEJ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)n3)c3ccc(CNc4nnc(N)s4)cc32)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOAILJYGNVRSSG-UHFFFAOYSA-N", "SMILES:Cl.NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CNC(=O)C4CNC4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UALBAQHLQDEEOH-PLCBFGMASA-N", "SMILES:NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQACFCHVSXQNN-UHFFFAOYSA-N", "SMILES:Cl.Cl.NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CNC(=O)C4CNCCN4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCVHZSZZNBLKBV-ZFLVPXINSA-N", "SMILES:CS(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENRHQFJKNRYMD-UHFFFAOYSA-N", "SMILES:CCCCCCN1CC(C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(C)(=O)=O)CC4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPNKOEZFIZLSMZ-ZWHLOQRUSA-N", "SMILES:Cl.NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CNC(=O)[C@@H]4C[C@H](F)CN4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMCWCBBYYHFCD-WCRWPNQISA-N", "SMILES:Cl.NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CNC(=O)[C@@H]4C[C@H](O)CN4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQSMBXQNHYBIH-PCGCYPFDSA-N", "SMILES:C[C@@H]1CN[C@H](C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPQCHIWQHIOPQS-UHFFFAOYSA-N", "SMILES:CN1CC(C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJUPDFDSIGGCNG-UHFFFAOYSA-N", "SMILES:COCCC(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCC(F)(F)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPLUNNRQNYFVLU-UHFFFAOYSA-N", "SMILES:CNC(=O)NCc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXGNPPCPMWQISU-UHFFFAOYSA-N", "SMILES:CCCCCCN1CC(C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QURBICBGERATMM-UHFFFAOYSA-N", "SMILES:Cl.NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CNC(=O)NCC4CCN4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHBNKJGGSSRVEX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCC(F)(F)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWQUCROTUFQGLX-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(C3CCC(F)(F)CC3)c3cc(NC(=O)CCCCCNC(=O)c4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDQKQCWRQIVDBA-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CNC(=O)C4CNC4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLRZJZMIPHMQRA-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCCCCCCCC(=O)Nc3ccc4c(-c5cccc(C(N)=S)c5)cn(C5CCC(F)(F)CC5)c4c3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYBRMHCPJWBJBG-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(C3CCC(F)(F)CC3)c3c(Cl)c(N)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SABNFPYXMDADHD-UHFFFAOYSA-N", "SMILES:CN1CC(C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFSUIIGALUZLRS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(CNC(=O)Cc4c[nH]cn4)c(Cl)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQHATWVWGDHPT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDDACYQEUDEPQ-UHFFFAOYSA-N", "SMILES:COCCC(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(CC(CF)CF)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNXJOYPYACROJ-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc2c(-c3cccc(C(N)=S)c3)cn(CC(CF)CF)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSNSUEFVVSNSGC-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(CC(CF)CF)c3cc(NC(=O)Cc4nccs4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDHMDVUMATRPE-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(CC(CF)CF)c3cc(NC(=O)CCc4nccs4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGOBXNHIOMWGQL-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]cc(-c3cccc(C(N)=S)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNQUKWAABRYBF-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc([N+](=O)[O-])cc2O)n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1"]}
{"name": "ADP-ribosylation factor 6", "xref": ["CHEMBL.TARGET:CHEMBL5987"], "id": "UniProtKB:P62330", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLGPLQMUTBPOBK-DEOSSOPVSA-N", "SMILES:NCCCC[C@H](N)C(=O)Oc1cc([N+](=O)[O-])ccc1-c1cc(=O)[nH]c2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWUGFBGXPBKZJD-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2O)n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZXBKZIJUZJBDE-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Cl)cc2O)n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDWBWAXOEDXOSV-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2O)n2nc(C(F)(F)F)c(C3CCCCC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCFQRXIYSDCPGT-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Cl)cc2O)n2nc(C(F)(F)F)c(C3CCCCC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFFMFAWPUBIIBP-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Cl)cc2O)n2nc(CN3CCOCC3)c(-c3ccc(Cl)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYIGSWIWOQUJS-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2O)n2nc(C3CC3)c(-c3ccc(Cl)c(Cl)c3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQFDLWDOCUNJB-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Cl)cc2O)n2nc(C3CC3)c(-c3ccc(Cl)c(Cl)c3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPHBEZKZKLOEY-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Cl)cc2O)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMZPYOXZOTMCT-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc([N+](=O)[O-])cc2O)n2nc(C3CC3)c(-c3ccc(Cl)c(Cl)c3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXZISFDQZXQED-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2O)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBSRFBKEXWPBJM-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2O)n2nc(C(F)(F)F)c(-c3ccc(Cl)c(Cl)c3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPVZPHUJFOXRMN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)c(Cl)c4)c(C(F)(F)F)nn23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYIHBRYLAOFJSD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRNJWRAFSNZZAM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)cc4)c(Cc4ccccc4)nn23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMBRPJLNQIBSFM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)c(Cl)c4)c(C4CC4)nn23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSUFSAYPQUVBFO-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(C(F)(F)F)cc2O)n2nc(C(F)(F)F)c(-c3ccc(Cl)c(Cl)c3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYOMOADEXCNBAO-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(C(F)(F)F)cc2O)n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQOFLANCDMYLKF-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(C(F)(F)F)cc2O)n2nc(C3CC3)c(-c3ccc(Cl)c(Cl)c3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGFEUOWSNBQEE-DEOSSOPVSA-N", "SMILES:NCCCC[C@H](N)C(=O)Oc1ccccc1-c1cc(=O)[nH]c2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQVZFODJNBJNV-KRWDZBQOSA-N", "SMILES:NCCCC[C@H](N)C(=O)Oc1cc(Cl)ccc1-c1cc(=O)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQUGKIJNVNWMTM-SFHVURJKSA-N", "SMILES:N#Cc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)c(Cl)c4)c(C(F)(F)F)nn23)c(OC(=O)[C@@H](N)CCCCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQODWUMTAYHGW-NRFANRHFSA-N", "SMILES:N#Cc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)c(Cl)c4)c(C4CC4)nn23)c(OC(=O)[C@@H](N)CCCCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBHMLNROKCHBH-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(F)cc2O)n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDXZHIIAOFMPC-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(F)cc2O)n2nc(C3CC3)c(-c3ccc(Cl)c(Cl)c3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSLTUQCQDWONH-KRWDZBQOSA-N", "SMILES:NCCCC[C@H](N)C(=O)Oc1ccccc1-c1cc(=O)[nH]c2c(-c3ccc(Cl)c(Cl)c3)c(C(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOXDOSROYETAQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(=O)[nH]c3c(C4CCCCC4)c(C(F)(F)F)nn23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVUBHFWONYXNDO-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(F)cc2O)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBUQXVIYKGWGLH-VWLOTQADSA-N", "SMILES:N#Cc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)cc4)c(Cc4ccccc4)nn23)c(OC(=O)[C@@H](N)CCCCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPYNOLAHBILVTC-DEOSSOPVSA-N", "SMILES:NCCCC[C@H](N)C(=O)Oc1cc(F)ccc1-c1cc(=O)[nH]c2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEBAFIPTPSAAOM-UHFFFAOYSA-L", "SMILES:O=c1cc(-c2ccc(F)cc2OP(=O)([O-])[O-])n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVOHWIPRBKZCC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)cc4)c(Cc4ccccc4)nn23)c(OP(=O)(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWGXIMBXEYCCJR-UHFFFAOYSA-L", "SMILES:Cc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)cc4)c(Cc4ccccc4)nn23)c(OP(=O)([O-])[O-])c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLBGHJRSTIRFTP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c[nH]c3c(-c4ccc(Cl)cc4)c(Cc4ccccc4)nn3c2=O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBLIVZTSWOOKK-UHFFFAOYSA-L", "SMILES:O=c1c(-c2ccc(F)cc2OP(=O)([O-])[O-])c[nH]c2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMDIVNYWHXNOQ-UHFFFAOYSA-L", "SMILES:Cc1ccc(-c2c[nH]c3c(-c4ccc(Cl)cc4)c(Cc4ccccc4)nn3c2=O)c(OP(=O)([O-])[O-])c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUYDSJQAUFNHN-NTISSMGPSA-N", "SMILES:C[C@H](N)C(=O)Oc1cc([N+](=O)[O-])ccc1-c1cc(=O)[nH]c2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWRKJRILDZARRV-KARKAFJISA-N", "SMILES:CCN(CC)CCCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDPGWQLJVVRKJT-UHFFFAOYSA-L", "SMILES:CC[N+](C)(CC)CCCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(OCCCCCC[N+](C)(CC)CC)cc2)cc1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXCKEMPNQWUPM-UHFFFAOYSA-L", "SMILES:C[N+]1(CCCCCCOc2ccc(C(=C3C4CC5CC(C4)CC3C5)c3ccc(OCCCCCC[N+]4(C)CCCCCC4)cc3)cc2)CCCCCC1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPBCLBNPFGRVRW-KARKAFJISA-N", "SMILES:Clc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(OCCCCCCN3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1597711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZATJMMZPGVDUOM-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFKQAVDSBWRIZ-UNJBJSHXSA-M", "SMILES:C[N+]1(CCCCCCOc2ccc(C(=C3C4CC5CC(C4)CC3C5)c3ccc(Cl)cc3)cc2)CCCC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHPKGTOVRRQXOX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(OCCCCCCN(CC)CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUMRPMLPLBNQCZ-UHFFFAOYSA-N", "SMILES:c1cc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(OCCCCCCN3CCCC3)cc2)ccc1OCCCCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOAJOIPRASUSAX-UHFFFAOYSA-L", "SMILES:C[N+]1(CCCCCCOc2ccc(C(=C3C4CC5CC(C4)CC3C5)c3ccc(OCCCCCC[N+]4(C)CCCC4)cc3)cc2)CCCC1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHOJDQUDSZAIQY-UHFFFAOYSA-N", "SMILES:c1cc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(OCCCCCCN3CCCCC3)cc2)ccc1OCCCCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQNTKSKRBBIBY-UHFFFAOYSA-L", "SMILES:C[N+]1(CCCCCCOc2ccc(C(=C3C4CC5CC(C4)CC3C5)c3ccc(OCCCCCC[N+]4(C)CCCCC4)cc3)cc2)CCCCC1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTFVLDPVZPRAM-UHFFFAOYSA-N", "SMILES:c1cc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(OCCCCCCN3CCCCCC3)cc2)ccc1OCCCCCCN1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJTFDUPWBXXTBO-YXSTWSFQSA-N", "SMILES:CCCNC(=O)[C@H](CC(=O)N[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O)NC(=O)CCl"]}
{"name": "Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase", "xref": ["CHEMBL.TARGET:CHEMBL4523429"], "id": "UniProtKB:Q96IV0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCBBYIACFLQVNZ-DRYJMCQGSA-N", "SMILES:C=CC(=O)N[C@@H](CC(=O)N[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O)C(=O)NCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSSKAAQUZRHKY-GYXCGWDCSA-N", "SMILES:C=CS(=O)(=O)N[C@@H](CC(=O)N[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O)C(=O)NCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKQGHGMJGEMRA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(-c2cccs2)[nH]n1)c1ccccc1C(F)(F)F"]}
{"name": "Ubiquitin-conjugating enzyme E2 K", "xref": ["CHEMBL.TARGET:CHEMBL4105835"], "id": "UniProtKB:P61086", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWHTERDHPQEKP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(-c2cccs2)[nH]n1)c1ccccc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVLVXYPFKZAMP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(-c2cccs2)[nH]n1)c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZHQTZAFEPUWPD-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTFGUYQUFEYPS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(-c2ccccc2O)[nH]n1)c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHIMYJNBJNVJX-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc(CNC(=O)c2ccccc2OC(F)F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWSRIWWOSYPKL-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1nc(CNC(=O)c2ccccc2OC(F)F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHZHSFKDMZKXKP-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1nc(CNC(=O)c2cccc3c2OC(F)(F)O3)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVLRLTDXXRWENM-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc(CNC(=O)c2cc(C#N)ccc2OC(F)F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGKFZCWJVTLRV-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3F)ccc12"]}
{"name": "Chloride anion exchanger", "xref": ["CHEMBL.TARGET:CHEMBL4523503"], "id": "UniProtKB:Q9WVC8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POIPWHYIHJJYAK-UHFFFAOYSA-N", "SMILES:Cc1cccc(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4556219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSISFIMDLNAQG-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(Cl)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHJGDCGBDTTHP-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(Br)c3)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1491046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMMVVHBPGVDCQA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4535284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGHOPKGQKLTEJ-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAJPNMPXRUEVRM-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cc(Cl)cc(Cl)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRPOXEWPNXKWBH-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(C(C)(C)C)cc3)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5083994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQUPLLQJGAIJDY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2C)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2178460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATYKOYUMSKHQE-UHFFFAOYSA-N", "SMILES:Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5080956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHQVXNVVAMONAO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJQVMJSGMOLKBL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQRCSWVLMXTJE-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUPMGPVTVZOGW-UHFFFAOYSA-N", "SMILES:O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUPPBCXHUNYFH-UHFFFAOYSA-N", "SMILES:O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPISQNHPQEYSG-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXLQCYMBRBFZAY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1325838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDUIEOODYUGZHS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFPWNZHVLCEPGS-UHFFFAOYSA-N", "SMILES:O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCOPFAJOEAJOPV-UHFFFAOYSA-N", "SMILES:O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCRNQQVHXCYRD-UHFFFAOYSA-N", "SMILES:O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1330567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHRWVZHWHNPRQN-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOWAQXPHBGQJA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLFRXMSWJDYIK-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKQCTIAGYJTWDP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEJHRUXILOZEIO-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCNMWQRXWNJEL-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZATNOERSHQSC-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1553475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZNTQKZNXDQGI-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGJXGGHXMCVABW-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJIOEWUDKVCQA-UHFFFAOYSA-N", "SMILES:O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOINCDIHZNXRHB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONGSOUZMQTNRA-UHFFFAOYSA-N", "SMILES:O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXVXNIHWINSHOT-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc([N+](=O)[O-])c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSHMSRIOYOKOP-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(C(F)(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWNIAFAWIMPGK-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(C4CC4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJYXNVPAKOMKK-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXSBKGVUREKKC-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3I)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWNBFPDTSJKGB-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cc(C(F)(F)F)ccc3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWSCOTQTZBAQLB-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(I)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMYNIVCULCIJA-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMCHWQMFFVUES-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHWCCEJWBSIQAP-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBZQXMHDTIKMQT-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OC3CCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFFKLIVOCUSTH-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCC3CCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEAROQBCSSSFBI-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCC3CCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWKATMHVWXXEAC-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(C(F)(F)F)o3)ccc12"]}
{"name": "Chloride anion exchanger", "xref": ["CHEMBL.TARGET:CHEMBL4523223"], "id": "UniProtKB:P40879", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEQWWMWMLLFKLT-OAHLLOKOSA-N", "SMILES:O=C(O)Cc1csc2cc(O[C@@H]3CCc4ncccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXYPCSJFHUSFS-INIZCTEOSA-N", "SMILES:Cc1ccc2c(n1)CC[C@@H]2Oc1cc(Cl)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXYPCSJFHUSFS-MRXNPFEDSA-N", "SMILES:Cc1ccc2c(n1)CC[C@H]2Oc1cc(Cl)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKIOHESALCKCRZ-LBPRGKRZSA-N", "SMILES:O=C(O)Cc1csc2c(Cl)c(O[C@H]3CCc4nc(Cl)ccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKIOHESALCKCRZ-GFCCVEGCSA-N", "SMILES:O=C(O)Cc1csc2c(Cl)c(O[C@@H]3CCc4nc(Cl)ccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMIRKOKMBTOOV-LBPRGKRZSA-N", "SMILES:O=C(O)Cc1csc2c(Cl)c(O[C@H]3CCc4nc(C(F)(F)F)ccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMIRKOKMBTOOV-GFCCVEGCSA-N", "SMILES:O=C(O)Cc1csc2c(Cl)c(O[C@@H]3CCc4nc(C(F)(F)F)ccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDPSHZQLAAEDF-NSHDSACASA-N", "SMILES:O=C(O)Cc1csc2c(F)c(O[C@H]3COc4nc(C(F)(F)F)ccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDPSHZQLAAEDF-LLVKDONJSA-N", "SMILES:O=C(O)Cc1csc2c(F)c(O[C@@H]3COc4nc(C(F)(F)F)ccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFUJXCLNTNRZMS-ZDUSSCGKSA-N", "SMILES:O=C(O)Cc1csc2cc(O[C@H]3COc4ncccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFUJXCLNTNRZMS-CYBMUJFWSA-N", "SMILES:O=C(O)Cc1csc2cc(O[C@@H]3COc4ncccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFLKSMDGMHNGQC-LBPRGKRZSA-N", "SMILES:O=C(O)Cc1csc2c(Cl)c(O[C@H]3COc4ncccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFLKSMDGMHNGQC-GFCCVEGCSA-N", "SMILES:O=C(O)Cc1csc2c(Cl)c(O[C@@H]3COc4ncccc43)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUKGSAWHRHTBV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(n1)CCC2Oc1cc(Cl)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLUZVVRUGJAAHE-HNNXBMFYSA-N", "SMILES:NC(=O)c1ccc2c(n1)CC[C@@H]2Oc1cc(Cl)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLUZVVRUGJAAHE-OAHLLOKOSA-N", "SMILES:NC(=O)c1ccc2c(n1)CC[C@H]2Oc1cc(Cl)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUSWAPQBWHGWLI-UHFFFAOYSA-N", "SMILES:C#CCOc1cccc(Nc2ncnc3ccc(NC(=O)CCl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUCFIGVCALQJJI-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ncnc3ccc(NC(=O)CCl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKRFYUHWTVWQEK-UHFFFAOYSA-N", "SMILES:C#CCOc1cccc(NC(=O)c2cccc(NC(=O)CCl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOZRNVDQIQZGI-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(O)C(=O)N3Cc4cn(S(=O)(=O)c5cnc6c(c5)OCCO6)cc4C3)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVLPNKMXJADITG-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc2[nH]ncc12)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNMTUBBLHORSK-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1ccc2c(c1)NCCO2)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVMFNALXFYHPD-IBGZPJMESA-N", "SMILES:O=C([C@@H](O)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMEHIOXFYHTSEF-NRFANRHFSA-N", "SMILES:COc1cccc([C@H](O)C(=O)N2Cc3cn(S(=O)(=O)c4ccc5c(c4)OCCO5)nc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYAFTMBEVHHMC-QFIPXVFZSA-N", "SMILES:O=C([C@@H](O)c1ccc2c(c1)NCCO2)N1Cc2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKFHSPXHFVKEO-NRFANRHFSA-N", "SMILES:O=C([C@@H](O)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRUFASQCDEYDI-FQEVSTJZSA-N", "SMILES:O=C([C@@H](O)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1cc(F)c3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUPXBLLRLZDSE-UHFFFAOYSA-N", "SMILES:O=C(C(c1ccccc1)N1CCCC1=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMUFLVAKZSKEA-UHFFFAOYSA-N", "SMILES:CCc1nc(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFAWEQLYCSQFR-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C)(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOQITCJXKHKEX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2cnc4c(c2)OCCO4)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQZIKJYKMORYPX-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPIPJBCEJYINS-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc(Cl)n1)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYIFACPXDKGPL-UHFFFAOYSA-N", "SMILES:COc1cccc(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2cnc4c(c2)OCCO4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCFWBZTVFCUBIZ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3cnc5c(c3)OCCO5)C4)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHAPJLUJUJSIDQ-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc2cccnc12)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYBSQPQBKFXUAP-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTNYZAYBIHAIO-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc2ncccc12)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEABEBZOCUAAFN-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3cnc5c(c3)OCCO5)C4)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLLOOJUXDLXDR-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBBPKHWZGNIOT-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OC(F)(F)C(F)(F)O5)C4)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPFVGMPBJDRHG-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1ccnc(N2CCOCC2)c1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIIUMJRNZDKEKJ-UHFFFAOYSA-N", "SMILES:Cc1noc2cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3cnc5c(c3)OCCO5)C4)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEBHQIDPMJHJBS-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1noc2ccccc12)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYIJLJIEJNWIDA-UHFFFAOYSA-N", "SMILES:Cn1nc(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQLJCBJJFPZNCC-UHFFFAOYSA-N", "SMILES:Cn1c(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2cnc4c(c2)OCCO4)C3)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZKFAGOMNOCXLJ-QFIPXVFZSA-N", "SMILES:O=C([C@@H](O)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNADGVRBBVVRE-NRFANRHFSA-N", "SMILES:O=C([C@@H](O)c1ccccc1)N1Cc2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLQCOESTYYOAIX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOIRVTXXTZAXHO-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1ccc2c(c1)CCO2)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPKBPUVDZIBND-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccc(OC)c(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSQBZHSEKFHACX-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCTYIDDFVGUSE-UHFFFAOYSA-N", "SMILES:CCc1cccc(C(CNC)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBNOHJJFTNMJSN-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPMUKOZKWUEPN-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(OC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEHUKSHTPBRILR-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROAKJZLCJIGPBH-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKIQCCXRZBHXOD-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHZXXMYCUMDEE-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(C)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZHRDFWAYQJCRO-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOPPQZNCPDZGL-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(F)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNWNAJGTNYOAFQ-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBHLSXMOPMFQEZ-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWXKQXUYGSMPTF-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOAOGCDLJINVPP-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccc(OC2CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQYMRAHCPRRPFW-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccc(F)c(Cl)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKTVNCSXSXBDKA-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)c(F)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHYQDLQJLLFHF-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(C)c(F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVYCNXUWMQZEBN-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(C)c(OC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YALAKOUPXCQPNG-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)c(C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONOCECWYHIMQG-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(C)c(OC)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXUFDRBSRRXMPH-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(C)c(F)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCAVFQIOMAZNU-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1csc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXKVMALWQEULX-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccc(C)c(OC2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXHCNQKUYPBCR-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc2nsnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQUWWVHIAJFQDD-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc2ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABUGGDCSLSIYLC-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccc(C)c2nsnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGXFCXPZSTYXBP-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccn2cc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWCKQLOLYKTRP-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc2sc(C(=O)N(C)C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOEAKZBIXISRAB-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc2nc(C)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZQKDRHFCXBRC-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)c(F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYHLNHDLALHEHR-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc2oc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLAXDXJLDFFAO-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccc(F)c2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLAAYUIHOAKFV-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(F)c(F)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUUXITWSLZIKSQ-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(F)c(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWAIKXNUAFQBZ-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(OC)cc2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZHJLJTOIYCEM-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(F)c(F)c(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKQRPCRLIZVQTF-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(F)c(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMVLPXBZSLZMG-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(OC)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUCGBMHVGLDDSA-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYKTPHWMDCFTP-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTVBLVLLUCLNJP-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFWULPMTFHNSCP-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1Cc2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1)c1cc(C)c(F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJLSZNRRDHSUBL-OAQYLSRUSA-N", "SMILES:CNC[C@@H](C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJLSZNRRDHSUBL-NRFANRHFSA-N", "SMILES:CNC[C@H](C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCDHOXXUCPMNOX-UHFFFAOYSA-N", "SMILES:CNCC(F)(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJSZWODFRWWJI-UHFFFAOYSA-N", "SMILES:CNCCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGUXSNSABCTDV-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGRCWBZXCOQCC-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(C)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYMANJVCHPKHJC-UHFFFAOYSA-N", "SMILES:CNCCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKQCVWBSTGBKKE-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)C1CCCC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEZPZYKGQYZRL-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQZJBRMQSLMRX-UHFFFAOYSA-N", "SMILES:CN1Cc2cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRYSAKDSJODMNL-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZQLDNCIUZWGO-UHFFFAOYSA-N", "SMILES:CN1CC(OC(C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBFUYHLSAZMNBM-UHFFFAOYSA-N", "SMILES:CN1Cc2c(F)ccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPOQAMHFWOIUBB-UHFFFAOYSA-N", "SMILES:CN1CCc2cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARASMCGMXABJOL-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc2c1CN(C1COC1)C2)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGOZZZVTCCRFNI-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXZJVZPFHVSIV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(O)C(=S)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQOZRGIDUKNVLR-UHFFFAOYSA-N", "SMILES:CN1CC2=C(C1)CN(c1cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATXQLCNGOQXUIV-UHFFFAOYSA-N", "SMILES:CN(C)CC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYHQDAKJMIFWGU-UHFFFAOYSA-N", "SMILES:CN1CC2CN(c3cccc(C(O)C(=O)N4CC5=C(C4)CN(S(=O)(=O)c4ccc6c(c4)OCCO6)C5)c3)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCAMPXFBAPVKDL-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc2c1CN(C1CC1)C2)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLWHSFFYGXOESL-UHFFFAOYSA-N", "SMILES:O=C(C(OC1CNC1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOYCEPBXUUUZTO-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1Cc2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDUWZCIJLSJAON-UHFFFAOYSA-N", "SMILES:O=C(C(c1cccc(Cl)c1)C1CCCN1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGIXWDGSOGSHU-UHFFFAOYSA-N", "SMILES:CNCCOC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(F)c(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVEGMVFUAFIOCP-UHFFFAOYSA-N", "SMILES:O=C(N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)C1(c2ccccc2)CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBGVCBYHQUFKO-UHFFFAOYSA-N", "SMILES:NCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHREKLBYWNXHF-UHFFFAOYSA-N", "SMILES:NC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNXRCSKFXOQAR-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccc2c(c1)NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFWUNLVNIBTCLQ-QHCPKHFHSA-N", "SMILES:O=C([C@@H](O)c1cccc2c1CNC2)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKNNNQFRMBGHPT-UHFFFAOYSA-N", "SMILES:CN1CCc2c(cccc2C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWOULBUGRDKIL-UHFFFAOYSA-N", "SMILES:CNCC(C(=O)N1Cc2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1)c1cccc2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOSHCVZPTKPCAB-UHFFFAOYSA-N", "SMILES:CN1CC(Oc2cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVXYAHNCBFGCI-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1C(CN(C)C)C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFHGIHCGABRTK-UHFFFAOYSA-N", "SMILES:O=C(C(CN1CC(F)C1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMNIHOPVFBBOSU-UHFFFAOYSA-N", "SMILES:O=C(C(CN1CCCC1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSJNSBPVBZZONK-UHFFFAOYSA-N", "SMILES:O=C(C(CN1CCOCC1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNVBYQMIMISEL-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMWQSFOIVDKXLG-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVITVQPOHPKAEK-UHFFFAOYSA-N", "SMILES:O=C(C(CNC1COC1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSADQZRXQHNIKX-UHFFFAOYSA-N", "SMILES:O=C(C(CN1CCC1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZOHUAJHWOJHQW-UHFFFAOYSA-N", "SMILES:O=C(C(CN1CC(O)C1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXATSKGEKQXIF-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(CN3CCC3)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPJOPWGDZZTHH-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2cnc4c(c2)OCCO4)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFAFZNPNOYUZLX-UHFFFAOYSA-N", "SMILES:COCCOC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDHOKDYROVORD-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1n[nH]c2ccccc12)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHLSZJGDXQXETN-FQEVSTJZSA-N", "SMILES:O=C([C@@H](O)c1ccccc1)N1Cc2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTAHUGLHLCZGMI-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc2c1CCO2)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYWJVFGYNIBNMZ-UHFFFAOYSA-N", "SMILES:CN1CCOc2ccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTECYUWNOIWUTQ-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc2oc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCPXZHZFXBLIF-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3cc(F)c5c(c3)OCCO5)C4)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUHWGHAYAQELQ-UHFFFAOYSA-N", "SMILES:Cc1noc2cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PITYMVKPSQSQBM-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1noc2ccccc12)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHYPCDYDFKEGJ-UHFFFAOYSA-N", "SMILES:Cn1cc(C2CC2)c(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2cnc4c(c2)OCCO4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPHZJSCUNTSIR-UHFFFAOYSA-N", "SMILES:Cn1nc(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2cnc4c(c2)OCCO4)C3)cc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUQIQXKAGOVMQ-UHFFFAOYSA-N", "SMILES:Cn1nc(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2cnc4c(c2)OCCO4)C3)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXBMDOKZQEGQC-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccn2ccnc12)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIRGRUQDHAWLTB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(F)cc2)c(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2cnc4c(c2)OCCO4)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTAXDIYQUPUDPL-UHFFFAOYSA-N", "SMILES:CC(O)(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJKEOWOAVAGSD-UHFFFAOYSA-N", "SMILES:CC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCFWBZTVFCUBIZ-NZLXMSDQSA-N", "SMILES:[2H]C1([2H])Oc2cc(S(=O)(=O)N3CC4=C(CN(C(=O)C(O)c5cccc6oc(C)nc56)C4)C3)cnc2OC1([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLLOOJUXDLXDR-OSEHSPPNSA-N", "SMILES:[2H]C1([2H])Oc2ccc(S(=O)(=O)N3CC4=C(CN(C(=O)C(O)c5cccc6oc(C)nc56)C4)C3)cc2OC1([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKXLFKZPXBBIA-UHFFFAOYSA-N", "SMILES:O=C(C(OC1CN(CCO)C1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTXUPRPVOYVRHU-UHFFFAOYSA-N", "SMILES:O=C(C(OCC1(F)CNC1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXBCXSMZVJAPIE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGVJRBZWUZELX-UHFFFAOYSA-N", "SMILES:NC(=O)NCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVXDZRDFQXNWTF-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHOUUSBRZRWHB-UHFFFAOYSA-N", "SMILES:CC(C)OC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERHTHWFDFFJLT-UHFFFAOYSA-N", "SMILES:COC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVRBEJXERQKGKP-UHFFFAOYSA-N", "SMILES:O=C(N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOYOBUPPFNNIL-UHFFFAOYSA-N", "SMILES:O=C(C(c1ccccc1)C1CC1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXDWKQBYJZRMT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GELMKCOGEWFOBZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5nccnc5c3)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYDIVKJVPMUORM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)N(C)CCO5)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCXQEDAHCDGFC-UHFFFAOYSA-N", "SMILES:COCCN(C)c1cccc(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4scnc4c2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHBNMASKQDXMV-UHFFFAOYSA-N", "SMILES:Cc1nc2c(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5ccoc5c3)C4)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKFHSPXHFVKEO-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZIDWUTKGGLDC-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCIBXLDCOTWJEH-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc(N2CCOCC2)c1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQHLNDQYSTVKA-UHFFFAOYSA-N", "SMILES:CN1CC2CN(c3cccc(C(O)C(=O)N4CC5=C(C4)CN(S(=O)(=O)c4ccc6c(c4)OCCO6)C5)c3)CC2(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOZQSBFLKJZIEP-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc(N2CCNC(C(F)F)C2)c1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHEHNSGEFNPLGJ-UHFFFAOYSA-N", "SMILES:CC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMPCKGHJCXPSV-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc(N2CCNCC2)c1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMJNBMBANFUDM-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc(N2CCN(C3CC3)CC2)c1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOYXCOOTIYQCEY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5ccoc5c3)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMFMQRWAPUWRG-UHFFFAOYSA-N", "SMILES:COC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2)c1cccc2oc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFXKDCIKDAFDDT-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc(N2CCC3(CC2)COC3)c1)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMWEGIJOCDVOJ-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc2c1OCC2)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSHGCTDBQHPIOU-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cc(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBCYJABWTZBQRG-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(F)c(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNQDGMKPCOUZTA-UHFFFAOYSA-N", "SMILES:O=C(C(CNCC1CCCC1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLDXEWIIYEAGA-UHFFFAOYSA-N", "SMILES:O=C(C(O)c1cccc(N2CC3CNCC(C2)C3(F)F)c1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCGLGZRRMHMAO-UHFFFAOYSA-N", "SMILES:O=C(C(CNCC1CCC1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSMDHCSKKSRUEO-UHFFFAOYSA-N", "SMILES:O=C(C(CNCC1CCOCC1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKOMGKPQHRMHFK-UHFFFAOYSA-N", "SMILES:CCNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZAHRVFWRHWROB-FEAGIOCNSA-N", "SMILES:N=S(=O)(c1ccc2c(c1)OCCO2)N1CC2=C(CN(C(=O)[C@@H](O)c3ccccc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVYPTYHDYYQTK-UHFFFAOYSA-N", "SMILES:CC(C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTHJBTKEZNNKQV-NRFANRHFSA-N", "SMILES:O=C([C@@H](O)c1ccccc1)N1CCC2(CC1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNZXWTZKUYANSI-IBGZPJMESA-N", "SMILES:O=C([C@@H](O)c1ccccc1)N1CC2(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTCQQIFGMHZATC-UHFFFAOYSA-N", "SMILES:Cc1ncc(C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLZQZIBXLCIBMY-YWZLYKJASA-N", "SMILES:O=C([C@@H](O)c1ccccc1)N1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDBOYNCDOOAEQC-UHFFFAOYSA-N", "SMILES:O=C(C(CO)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFFYEPYCVDOGE-IBGZPJMESA-N", "SMILES:O=C([C@@H](CO)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGXROAYMXVVXLF-QGZVFWFLSA-N", "SMILES:O=C([C@H](CO)c1ccccn1)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUUJEYISOBOCF-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSBMTRCOQIONJX-MUTAZJQDSA-N", "SMILES:Cl.[2H]C([2H])([2H])Oc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVSZYOWWAPAPY-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYWDSCBDZSUDRG-ZKIONQSNSA-N", "SMILES:Cl.[2H]C1([2H])Oc2ccc(Nc3nc(-c4c(C)nc5ccccn45)cs3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFIISXWYULLXDE-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(Br)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMXOIJZZLNHXRE-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(Cn2cc(Br)c(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWNNGHKSOSHMT-UHFFFAOYSA-N", "SMILES:O=C(CCC1CCC1)N1CCC(O)(Cn2cc(Br)c(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVHMMPJFYPETJ-UHFFFAOYSA-N", "SMILES:O=C(CCC1CCCC1)N1CCC(O)(Cn2cc(Br)c(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STDCHGDXYKQYRN-UHFFFAOYSA-N", "SMILES:CC(Cc1ccccc1)C(=O)N1CCC(O)(Cn2cc(Br)c(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTGHWBBTFLLGND-RUZDIDTESA-N", "SMILES:CC(=O)Nc1cccc(-c2cn(CC3(O)CCN(C(=O)C[C@@H](C)c4ccccc4)CC3)c(=O)cc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHVZTHYJBPLZEY-XMMPIXPASA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3cccc(C(N)=O)c3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSRPEGLUEZMVTK-HSZRJFAPSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccco3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUXYCVLIJZDCC-HSZRJFAPSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccnn3C)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAISSCKFZSXFRS-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccccc3)c(Cl)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZARRPZPQRHKJ-JOCHJYFZSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccccc3)c(N(C)C)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZMLUJJQZJONP-HSZRJFAPSA-N", "SMILES:C=C(C)c1cc(=O)n(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFDYWLXUHHNNOT-JOCHJYFZSA-N", "SMILES:CCOC(=O)c1cn(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCVJLTYHFMUJL-UHFFFAOYSA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3(C)CCc4ccccc4C3)CC2)c(=O)cc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFLWMLRVIMMVHZ-UHFFFAOYSA-N", "SMILES:CC(CC1CCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N3CCCCC3)c(-c3ccccc3)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMBBGTNHFCLGPB-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3cccc4cnn(C)c34)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKMVNAZUALJON-HXUWFJFHSA-N", "SMILES:COc1ccccc1-c1cc(=O)n(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCWTLKDWKZSKW-HXUWFJFHSA-N", "SMILES:Cc1nc(-c2ccccc2)cc(=O)n1CC1(O)CCN(C(=O)C[C@@H](C)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQESYHGFVAMQNE-XMMPIXPASA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2nc(-c3ccccc3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVFKHUXJFQPRG-JOCHJYFZSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3cccc4ccccc34)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKNJULZZXUWEME-OAQYLSRUSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3cccc(C4OCCO4)c3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMXLTIZAZLIIAY-GOSISDBHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccsc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMSALYBEMGDOM-UHFFFAOYSA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3(C)CCCC3)CC2)c(=O)cc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQTYGHKLIVHPCU-UHFFFAOYSA-N", "SMILES:CCC1(C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4F)cc3=O)CC2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKEGLLAPBKGVPJ-UHFFFAOYSA-N", "SMILES:CC(C)C(CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDACLIPDYCPEEQ-GOSISDBHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccco3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOOIZEFXRVLMLU-OAQYLSRUSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2ccc(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPQBTKXIBVSPQB-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(C3=CCCCC3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZUVVMJMXZOTPU-GOSISDBHSA-N", "SMILES:C=C(C)c1cc(=O)n(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMUHOCPZHRLANC-LJQANCHMSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3OC(F)(F)F)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJENQSPNTIHZHA-AGSMGJQJSA-N", "SMILES:C[C@H](Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)C2(O)Cn1cnc(-c2ccccc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCKXWZXXYZBIA-LJQANCHMSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGAMKPBIMCJSG-LJQANCHMSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cc2cnc(-c3ccccc3)[nH]c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DATHJLQNPJUDST-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)cc(=O)n1CC1(O)CCN(C(=O)CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUSVVQVNCSMIEB-LJQANCHMSA-N", "SMILES:CC(C)CNc1cc(=O)n(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYWCUGKNNQOOSO-RUZDIDTESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N3CCCCC3)c(-c3ccccc3)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQJRYFSKNWFBFH-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2ncc(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFCXWPCJOQDFE-XMMPIXPASA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c(=O)cc1-c1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZXPRHRJIHPOB-LJQANCHMSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQHTWBVKLPSOA-UHFFFAOYSA-N", "SMILES:CCC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTWMAVBTWMDFNS-NHCUHLMSSA-N", "SMILES:O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBKSZVJLHMPHY-UHFFFAOYSA-N", "SMILES:CC1(C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4F)cc3=O)CC2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYHRJSOXJVPTQI-JGKWMGOWSA-N", "SMILES:CCC(n1cnc(-c2ccccc2)cc1=O)C1(O)CCN(C(=O)[C@H](C)CC2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOOCMJJNMBHZPK-UHFFFAOYSA-N", "SMILES:O=C(C(O)CC1CCCCC1)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJYHEUDTQPFTEL-OAQYLSRUSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C=O)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFECLNBFAPXMMT-HSZRJFAPSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(CN(C)C)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHKZVYQZUCNWAQ-VQCQRNETSA-N", "SMILES:CC(n1cnc(-c2ccccc2)cc1=O)C1(O)CCN(C(=O)C[C@@H](C)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYDBCDBHZDWJBS-HXUWFJFHSA-N", "SMILES:O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUGLKYEJBCOSY-UHFFFAOYSA-N", "SMILES:O=C(C(F)Cc1ccccc1)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOOKMHTXFVMKRS-IHKRANBOSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKACINHWXHNIGE-QYWNIODHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCJPZBLCPLNHBU-XMMPIXPASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3cccc(CN)c3)c(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTAGEGKAVMCNK-IHKRANBOSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C(C)(C)C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXYUFKVCWCHRO-LJQANCHMSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(Oc3ccc(F)cc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBCASUPFDRGEP-HSZRJFAPSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(N3CCCC3=O)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIQDUCSNGZIMY-UHFFFAOYSA-N", "SMILES:C=C1CCC(C)(C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4F)cc3=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYFKJWFLUMDXLX-UHFFFAOYSA-N", "SMILES:CC(CC1CCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRAOQBZUOLLHD-UHFFFAOYSA-N", "SMILES:CC(CC1CCCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFAHLLQEWJXKHF-UHFFFAOYSA-N", "SMILES:CC(C)(CC1CCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPMCNHUWGQQBJL-AGSMGJQJSA-N", "SMILES:C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)C2(O)Cn1cnc(-c2ccccc2F)cc1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLMODRIKTKGWRD-IHKRANBOSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)CC1(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKYVMTTUCHGRFH-XMMPIXPASA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N3CCC(O)CC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNMZDJEACWVJP-XMMPIXPASA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N3CCCC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMOBEVPRZAKSU-AREMUKBSSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N3CCC4(CC3)OCCO4)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPRXNGQKGGOGF-RUZDIDTESA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)NC3CCCCC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTZBOEOITDXOFE-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(=O)c2c[nH]nc2C2CCCCC2)CCC1(O)Cn1cnc(-c2ccccc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWEMKWIPZIEFCS-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(=O)CCc2ccccc2)CCC1(O)Cn1cnc(-c2ccccc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGVUYCSNYSGCK-UHFFFAOYSA-N", "SMILES:CC(C)CC1(C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4F)cc3=O)C(C)(C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNCSKRMLMXFYGI-UHFFFAOYSA-N", "SMILES:CC(C)(CC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C(C)(C)C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFIZGAJUSNHOJ-SANMLTNESA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)C[C@@H](c3ccccc3)C(F)F)CC2)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPKCVIQPWQXJB-UHFFFAOYSA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3(c4cccs4)CC3)CC2)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHHZFHUJFHYLY-HSGLFRJESA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKPYJQXUPUMRHI-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3CO)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCHNFOMZBMKCDI-XMMPIXPASA-N", "SMILES:CCN(CC)C(=O)c1cn(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBFLCYRZFKIERV-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C(C)(C)C1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOXQSUKPKDNKR-XMMPIXPASA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N3CCOCC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNOIDHKJJUDTI-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(=O)CCC2CCCCC2)CCC1(O)Cn1cnc(-c2ccccc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CONHFSLKXAWCCQ-UHFFFAOYSA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)CCC3CCC3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEUYPRDDXGHTR-UHFFFAOYSA-N", "SMILES:CCCCC(CC)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C(C)C)c(-c3ccccc3)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPVIQFAESFSAQ-UHFFFAOYSA-N", "SMILES:CC1(C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4F)cc3=O)C(C)(C)C2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOZPMFQOWTLLH-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(F)cc1)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHWYZJPNKPMBQF-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(=O)CCC2CC2)CCC1(O)Cn1cnc(-c2ccccc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WETSVYOKPNDPIV-UHFFFAOYSA-N", "SMILES:CCC(C)(C)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C(C)C)c(-c3ccccc3)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOFKTUMHSAQUOR-HXUWFJFHSA-N", "SMILES:CC(=O)Nc1ccccc1-c1cc(=O)n(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDUGXKFMCFPBP-RUZDIDTESA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccc(CN)cc3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNISCJPTVMTNFA-XMMPIXPASA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC2)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQCYHNINZHRRP-RUZDIDTESA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N3CCCCC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHTFZUHGTFXRPB-XMMPIXPASA-N", "SMILES:COc1ccccc1-c1cc(=O)n(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)cc1C(=O)N(C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPNWFLVENLNYIO-HSZRJFAPSA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c(=O)cc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNQYGFQMEHODTO-XMMPIXPASA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccccn3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXTDHTGHJUSIAU-UHFFFAOYSA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)CCC3CCCCC3)CC2)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSUHZQVFNUMPRV-HHHXNRCGSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLOJJTUSLGWBIT-XMMPIXPASA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWZDLLRYGQFQE-JOCHJYFZSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOAGDSFECJZRPO-RUZDIDTESA-N", "SMILES:Cc1ccc(-c2cc(=O)n(CC3(O)CCN(C(=O)C[C@@H](C)c4ccccc4)CC3)cc2C(=O)N(C)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZJNRTRPQDVBRD-JOCHJYFZSA-N", "SMILES:CON(C)C(=O)c1cn(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWNOIWMYUORDB-RUZDIDTESA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccccc3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZXILBZOXKURII-XMMPIXPASA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3cccnc3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGGLFGKCPOHXCX-RUZDIDTESA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3cccc(CN)c3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUJKZJYMJQXAQ-XMMPIXPASA-N", "SMILES:CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INBOFXODFCGVCP-RUZDIDTESA-N", "SMILES:Cc1cccc(-c2cc(=O)n(CC3(O)CCN(C(=O)C[C@@H](C)c4ccccc4)CC3)cc2C(=O)N(C)C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKZBRPBIASGKPY-HSZRJFAPSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3cncnc3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXALFGQEFJIKMM-HSZRJFAPSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)NCC3CC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQYTZTZHCIGIZ-HHHXNRCGSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)Cc3ccccc3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWUHZLBBUUNMH-RUZDIDTESA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccccc3C#N)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIXNDMSCYYXFHT-AREMUKBSSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)c3ccccc3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWVNROMJYVGPF-VQCQRNETSA-N", "SMILES:CC(n1cnc(-c2ccccc2)cc1=O)C1(O)CCN(C(=O)[C@H](C)Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXAYCXUMEQVMJL-HSZRJFAPSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3cnn(C)c3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNEBZWGBLIVBRP-JOCHJYFZSA-N", "SMILES:C=CC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAPPELWQRDSXSV-OAQYLSRUSA-N", "SMILES:Cc1cn(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZDMKSNLVPBHNX-GOSISDBHSA-N", "SMILES:Cc1c(-c2cc(=O)n(CC3(O)CCN(C(=O)C[C@@H](C)c4ccccc4)CC3)cn2)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXWVEEAZDFYQAW-OIFTYBNWSA-N", "SMILES:O=C(CCC1CCCCC1)N1C[C@H]2CC[C@@H](C1)C2(O)Cn1cnc(-c2ccccc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYTTWDMSGNBGB-OAQYLSRUSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C#N)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFBONSPDICCUIS-JOCHJYFZSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)NCCO)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACKONZHQDLRWJA-RPBOFIJWSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N3CCC[C@@H]3C)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCORBAWGGUJBM-RUZDIDTESA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N3CCC(CO)CC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMHASOWHQQWADJ-UHFFFAOYSA-N", "SMILES:CCC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGCNNAMRMGVQGL-VWRCBCJMSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHHZFHUJFHYLY-QCBOHVIISA-N", "SMILES:CC(C)N(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFENDYQCVYETLP-JIYROHSKSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFENDYQCVYETLP-HEIROHQZSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUXXIIWAXSWUHW-QCBOHVIISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCCC3)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCKRBLQTXSFTRS-QCBOHVIISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCKRBLQTXSFTRS-GZGVDWRWSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSDHUQXYIZHIL-UHFFFAOYSA-N", "SMILES:CC(OC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQFPJHDGPQQHH-IHKRANBOSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)ccc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWLFCAJFCMCLIQ-BPADPFCFSA-N", "SMILES:C[C@H](CC1CCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRHKJTZTXWULA-CUXXENAFSA-N", "SMILES:C[C@H](CC1CC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZFKMOKZJQNTDZ-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3cncnc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNOOTJXBDIXPRC-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccnn3C)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWJQUMPHGRAXLI-YDONVPIESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3cn[nH]c3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXXCWMYMCIZSO-YDONVPIESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccn[nH]3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBWBUBZYPFNYGF-PHSANKKPSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnccc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIBZEXJJBIILW-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccsc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCLNCSANLEGLM-IYOGPWPASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ncco3)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWWIOIOPWJSGPF-QYWNIODHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3CO)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGNCMNCYABXHAQ-QYWNIODHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3cccc(CO)c3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJIJURTMONUBH-QYWNIODHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccc(CO)cc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFVKDKXQRETEI-QYWNIODHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccc(CN)cc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELIOLHDKQYBOZ-QYWNIODHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3CN)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYBCTUBGJXZZCE-UHFFFAOYSA-N", "SMILES:CC(CC(C)(C)C)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBNAVOLYFGPCIK-UHFFFAOYSA-N", "SMILES:CC(CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMMDYDVVTMEUJU-HFLPEKOISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(Cl)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFRNPXCXIPKFIY-VWRCBCJMSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(N(C)C)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKGJERKUDFRVOB-DKHGMYDOSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)[C@H](COCc3ccccc3)CC3CCCCC3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYTMHHDMXTZORB-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCLCRDVIHOZLRB-QYWNIODHSA-N", "SMILES:CC[C@@H](C)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZFIGRXZJBVYMD-HJZHLRNFSA-N", "SMILES:C[C@H](CC1CC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMOAJHVLJGAHJV-UHFFFAOYSA-N", "SMILES:CC(Cn1cccn1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KURCFCBGQHCEHG-SUYFMZKJSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3CO)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFOBBIDJTVSUCV-ZOYWYXQUSA-N", "SMILES:CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](CO)CC3CCCCC3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFOBBIDJTVSUCV-UKJJDJLKSA-N", "SMILES:CN(C)C(=O)c1cn(C[C@@]2(O)CCN(C(=O)[C@H](CO)CC3CCCCC3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKKREGKIJYHSPR-CPPKSAKYSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccccn3)c(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITJEOXKDLOEIN-IYOGPWPASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccsc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTHZTTOFJIMWDQ-SUYFMZKJSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3cccc(CO)c3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAODQUVRMLROZ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C(O)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXRRJFNXFTPNV-UHFFFAOYSA-N", "SMILES:CC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASYAJHDPOQMUKW-QYWNIODHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3cccc(CN)c3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVDXKRJCURTCMH-OOOSNSGVSA-N", "SMILES:COC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMDYWJUKJZGHZ-SUYFMZKJSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3CN)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUVLJUDNSYSWEB-SUYFMZKJSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccc(CO)cc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMNZJTGCFAYDSQ-UHFFFAOYSA-N", "SMILES:CC(CN1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNFHVKLLEQLHDP-UTONBFNKSA-N", "SMILES:CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](CCO)CC3CCCCC3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNFHVKLLEQLHDP-NYFMKLKXSA-N", "SMILES:CN(C)C(=O)c1cn(C[C@@]2(O)CCN(C(=O)[C@H](CCO)CC3CCCCC3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SURQKOABNLFGKI-YUDQIZAISA-N", "SMILES:CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](CO)CC3CCC3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SURQKOABNLFGKI-JHOBJCJYSA-N", "SMILES:CN(C)C(=O)c1cn(C[C@@]2(O)CCN(C(=O)[C@H](CO)CC3CCC3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCKUDGWLLGKES-HSGLFRJESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N3CCOCC3)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKWVVXCFBGOEW-IERCKHOLSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2cn(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC3(C)C)c(=O)cc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCISEVHWEATWCP-NAVQMUAQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N3CCN(C)CC3)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODZLEAHZFMHHTG-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNLGKTXSNHCRSZ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)CCC(F)(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPSORFIXTXMPAY-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)CCC3CCOC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFZCYUMYGWCPN-KDZLRESVSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHWLAPVKLPUAV-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3CC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJRZSHWRTPLALA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3(C)CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLWMZKWOHTTEI-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3CCC(F)C3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIPAALXXEVJVLQ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3(CC(F)F)CC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOKJCMGBSGMTJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C34CCC(CC3)C4)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBNKQXLHVBDSB-DVRVPOOOSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C[C@@H](c3ccccc3)C(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBNKQXLHVBDSB-RVLHTLCESA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C[C@H](c3ccccc3)C(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNJWQYJXGWWKDW-UHFFFAOYSA-N", "SMILES:CCOCCC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVVZFDORCHYKRJ-VOTTXDMFSA-N", "SMILES:C[C@@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTBAGGDIGVQNF-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)CCc3ccc(F)cc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVVZFDORCHYKRJ-HSGLFRJESA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTXGOAJIDJKPZ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3(C)CCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJCXRLFRKVRYFB-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3cc[nH]n3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNCTZIXWRHFQSM-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3n[nH]c4ccccc34)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXUQTXHAHNTKPF-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZDOUIEPTZXOM-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3c[nH]c4ccccc34)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGLZHTNHILTWDR-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C34CC(C3)C4)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZZCVDFNAPRQB-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3ncoc3-c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQQYGHHOZXDOX-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3ncoc3C3CC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKJRPHCLIQLNJF-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)COC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMHSVSRVGMWIFC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3CC34CC4)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKWDJOGTDGPLAW-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3CCC(C(F)(F)F)C3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRALSKYHODGRH-UHFFFAOYSA-N", "SMILES:CC(C)CC(C)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZVUBCEXUKFFW-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3cccn3Cc3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPOGKKUCUPHNF-UHFFFAOYSA-N", "SMILES:CC(OC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXLISGVDDDBZAI-SXMXNQBWSA-N", "SMILES:CC1(C)CN(C(=O)[C@H](CO)CC2CCC2)CCC1(O)Cn1cnc(-c2ccccc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDGNGVUMRVPJQG-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)COC3CCC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJPIFELIPPKJAQ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3CCC(F)(F)C3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNODZHZJKMAGPL-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C(O)Cc3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZKNIPMPHSLYPW-WXTAPIANSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBBBFXVOYRUBY-APYJYERMSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFGRWSMUZQIOT-XKWLHOGNSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCCCC3)c(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDGACQFTTUPQF-AREMUKBSSA-N", "SMILES:CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)C(CC(F)(F)F)CC(F)(F)F)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRYFQWUGZYREMF-RSKOIFRYSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNC[C@H]3CO)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXRRJFNXFTPNV-GZGVDWRWSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIQOVNJMQOLQO-YHZWMNSLSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXRRJFNXFTPNV-QCBOHVIISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIQOVNJMQOLQO-CXNHSUMOSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKPGXTAAYRECMH-AZAGJHQNSA-N", "SMILES:C[C@@H]1CN(C(=O)c2cn(C[C@]3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC3(C)C)c(=O)cc2-c2ccccc2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKDBLILJKLZII-JIYROHSKSA-N", "SMILES:C[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHVYVAPVLZMMU-QCBOHVIISA-N", "SMILES:C[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYVBLUHJNUZOO-PIIWDFAUSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONDJHYLYNTCQJ-YKGWIAGDSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCGXAOBCQGOIF-MUUNZHRXSA-N", "SMILES:CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)C(CC(F)(F)F)CC(F)(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWKXLLZCJBZVFY-WJOKGBTCSA-N", "SMILES:O=C(c1cn(C[C@]2(O)CCN(C(=O)C(CC(F)(F)F)CC(F)(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIFOXZNWDAGECW-ACSYHNTCSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(C3CC3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVQWAWAWOOQTN-JPZYQRIQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(C3CC3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXYOZQRIFBEKEN-APYJYERMSA-N", "SMILES:C[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDLKARFMOXADLR-WHLCRQNOSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXDVPIIPAZIGS-PBUKZNKTSA-N", "SMILES:C[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJKTDCBJGXOOQ-IIMAJNMQSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRHMMADNMJKZFE-PBUKZNKTSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGZFRIPDJHGII-SXZDHJFLSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJVSRQIFDLGDM-CGDLVVIGSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCC(O)CC3)c(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKOJJVQWRLGIV-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C3CC(C(F)(F)F)C3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFSGXNOFOIMRV-ACSYHNTCSA-N", "SMILES:C[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(C3CC3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWMYUJFHXPWJCQ-JPZYQRIQSA-N", "SMILES:C[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(C3CC3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKJAZSDAKURUEC-JPZYQRIQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(C3CC3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVAGKSJENCXFAE-GJBXTBEHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(C3CC3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDYPERPCQKFOFV-QCBOHVIISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWCJVATVCYHKW-PRAQEBQASA-N", "SMILES:C[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXWFPXSHURPNT-OAQYLSRUSA-N", "SMILES:C[C@H](CC1CCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMARSXVIDDWELK-NAVQMUAQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWIAEHNUJSMBE-SMQAERNASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)C2(CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWIORHAAEFGDBO-CXNHSUMOSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCOCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTCKZEOQLZMYOD-KWXDVARASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCN(C)CC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELNUIZXDNMOQK-BPADPFCFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)O)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEIMORMLIFIFDW-QYWNIODHSA-N", "SMILES:COc1cc(=O)n(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)cc1C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFDTEINBWVJDO-UHFFFAOYSA-N", "SMILES:CC(CC(F)F)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSCCLAQWCAFAEQ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)C(C)(C)CC(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCQCJWRUCKUPX-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3nc(C(F)(F)F)cs3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTHSMRRRZSJCD-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3csc(C(F)(F)F)n3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYDLGSOPLCBGU-RBTNQOKQSA-N", "SMILES:CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](CO)CC(F)(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQHOTFNAHHDGAG-YUDQIZAISA-N", "SMILES:O=C(c1cn(C[C@]2(O)CCN(C(=O)[C@H](CO)CC(F)(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJJOHFLGPVYNL-YUDQIZAISA-N", "SMILES:O=C(c1cn(C[C@]2(O)CCN(C(=O)[C@H](CO)CC(F)(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGWKLCUZRKLRL-YKGWIAGDSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCOCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAHOMPVQTBYNSV-SLGOVJDISA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCN(C)CC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVZHIFFUVLAST-QCBOHVIISA-N", "SMILES:CCOC(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGAGIMXDBGNWPN-JIYROHSKSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)O)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPRNOQRAKKDEJ-QUFSWRCJSA-N", "SMILES:O=C([C@@H]1CCNC[C@H]1c1ccccc1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVVJJVVPABXOS-HOYKHHGWSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRDJADFXTPFQQV-MZNJEOGPSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CC[C@@](O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZILJTCLSSJOPO-MZNJEOGPSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CC[C@@](O)(Cn2cnc(-c3cccc(F)c3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHQCKWPJQJVKP-NIYFSFCBSA-N", "SMILES:C[C@H](CC(C)(F)F)C(=O)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLHPSVPNWHRWMD-FJGWTWLBSA-N", "SMILES:O=C(C1CNCC1c1ccccc1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKOAXMUDNRTRSI-ZBGHLPLLSA-N", "SMILES:O=C(C1CCNC1c1ccccc1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRUORNHNYFGHQ-PLEWWHCXSA-N", "SMILES:C[C@H](CC1CCC1)C(=O)N1CCC(O)(Cn2ccncc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGCKKFDHOSQAW-IHKRANBOSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccccc3)ncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCYPTCUWWPHEL-PHSANKKPSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccncc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZOMVNLYYFCUCI-PLEWWHCXSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTZLKNQMYOIMD-HFLPEKOISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBTUGXDQOISTQ-QYWNIODHSA-N", "SMILES:Cc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)[C@H](C)CC2CCCCC2)CC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCVRCYJYGVFILF-IWPPFLRJSA-N", "SMILES:CC(=O)N1CCN(CC2(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC23CCCC3)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFKWRGDCBGQSMB-NHYGQJMQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccccc3)c(N=S(C)(C)=O)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFRABRQGODDNEK-DDAUYOFQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CCN(c3ccccc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJPPFRXIGVKPU-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2Cc3ccccc3C2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUMNMTXBEYWVLG-DMDVIOLWSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3cccnc3)ncc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZASKUOFSOQURMI-VWRCBCJMSA-N", "SMILES:COc1ccc2ccn(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOOIQRVXAFVRI-RBFZIWAESA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2Cc3ncccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADVLUCPOUAYXLR-IWPPFLRJSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2C(=O)COCC23CC3)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVSFGTLMXIXRAW-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)N3CCC(C(F)(F)F)C3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUYWRHRMBXNNQI-IFIVVKAWSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(S(C)(=O)=O)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXILFVVJORNDOK-UVDDSOTQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(N=S(C)(C)=O)c(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJFAYVCAMMKYCG-JGHKVMFLSA-N", "SMILES:CNc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYEFOVGPJPBWHX-UHFFFAOYSA-N", "SMILES:CC(CC1CCCCC1)C(=O)N1CCC(O)(CN2C(=O)c3ccccc3C2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZEOCLKGDJZSCM-PEJQNEDZSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CC(CO)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGLNNVHGAGTGA-DMDVIOLWSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N3CCNCC3)ncc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOJUTBUOPMZKPV-YMQLSTQVSA-N", "SMILES:O=C1Cn2ccnc2CN1CC1(O)CCN(C(=O)N2CCNC[C@H]2c2ccccc2)CC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYHQJWWDSXFLR-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CC2(O)CCN(C(=O)NCc3ccccc3)CC23CCCC3)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYGLNXKZZGOCBO-NHYGQJMQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(N=S(C)(C)=O)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLKAAJOLACHGP-VGOKPJQXSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CCN(S(C)(=O)=O)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSBAEGPHNKMFD-MRONQVKCSA-N", "SMILES:CN(C)C(=O)C1CN(C[C@]2(O)CCN(C(=O)[C@H](CO)CC3CCCCC3)CC2(C)C)C(=O)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLMJWPPCNNJNF-OEPVSBQMSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-n3cccn3)ncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFZLVRVTOBLBOF-ADRQNKRLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3cc(C(F)(F)F)ccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJKLSKQCLJFHR-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2Cc3ncccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAFIMYZUMBXXQL-FPPRHVDESA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2CC(C3CC3)OCC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQXJZUGWKCYJJS-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)N(C)Cc3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVMNJVZTGSCPY-LSLLVVCHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc([S+](C)[O-])c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDQRHHTBFDUIN-CKAQCJTGSA-N", "SMILES:CSc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFLBFJJZYLKYKJ-JGHKVMFLSA-N", "SMILES:CSc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQXAMDLWUXFAF-ABSJTJJKSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CC(Cc3ccccc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVZSMJEHHCSSE-ZCQJSQKNSA-N", "SMILES:CCCn1c(=O)n(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKDPEPJBECMJPR-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)ncc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOALONAATLYMTL-BWDMCYIDSA-N", "SMILES:O=C1COCCN1CC1(O)CCN(C(=O)N2CCNC[C@H]2c2ccccc2)CC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZIHROWZTYWJJ-PHSANKKPSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2CCN(c3ccccc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIBXSCOSHWROF-HKLSIYAESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(S(C)(=N)=O)c(Cl)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJVYYCMLBAPDBR-TUHVGIAZSA-N", "SMILES:CC(=O)N1CCN(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSBAEGPHNKMFD-DPBCKWEASA-N", "SMILES:CN(C)C(=O)C1CN(C[C@@]2(O)CCN(C(=O)[C@H](CO)CC3CCCCC3)CC2(C)C)C(=O)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUGMTYDXFKMSX-YDONVPIESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccn[nH]3)ncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMKGEHYRHSALS-DMDVIOLWSA-N", "SMILES:Cc1cccc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZXKYWJKVWVDDL-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2Cc3cccnc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDUZDFLFJJRCY-YCQNMSHMSA-N", "SMILES:C[C@@H]1CN(CC2(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC23CCCC3)C(=O)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNXQIEGWWKNDRV-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)N(C)C)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFHNCRDRHYNUOZ-IFIVVKAWSA-N", "SMILES:CSc1cn(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKFOUULLOZRRY-YDONVPIESA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3nc(N4CCNCC4)ncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZZIEWLKBYDRIR-HFLPEKOISA-N", "SMILES:CSc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUMYCCMITCZDHZ-JRSXUWQBSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2C[C@H](c3ccccc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNMSUKBWGNAMH-IKJXHCRLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2CCOCC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSAFIRHPPSSGEY-YDONVPIESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)O)ncc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEULQMBKJZTSHO-BWDMCYIDSA-N", "SMILES:O=C1COCCN1CC1(O)CCN(C(=O)N2CCOC[C@H]2c2ccccc2)CC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDEBIHWUOOUCAT-UHFFFAOYSA-N", "SMILES:O=C1CN(c2ccccc2)CCN1CC1(O)CCN(C(=O)Cc2ccccc2)CC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYULTDUGFJZRIS-WCYIPYRPSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc([S+](C)[O-])c(Cl)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGZNPMYFKGUOO-LYYPKXFYSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CCN(C(=O)OCc3ccccc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUTZJZDOGGZNH-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(CN2CCN(c3ccccc3F)CC2=O)CC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXJKIHARHHEFH-QYWNIODHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-n3cc4ccccc4n3)ncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGCVOUOPKQGFRZ-ACVCQEAVSA-N", "SMILES:CCn1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYWSEKHDBZGLEC-IMHYJWESSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2C(=O)CC2c2ccccc2)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLYJVUTERSNAN-CHQVSRGASA-N", "SMILES:Cc1nccn(CC2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJAZYARMRXAQJP-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)NCc3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AERYJZYJUOLLOE-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(S(C)(=O)=O)c(Cl)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYARNVXIFUGCMJ-ADRQNKRLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3nc(N=S(C)(C)=O)ncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCZVMBIAKQEVBM-FOEZPWHWSA-N", "SMILES:CSc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSXDBRDXTYCJF-PHSANKKPSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CCNCC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKUIUIKBXMSHO-PHSANKKPSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CCOCC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPANPHOPLJVQQD-ICCFGIFFSA-N", "SMILES:COC(=O)c1cn(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCBYDXNWVQVDU-TUHVGIAZSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2CCN(C3CCC(C)(C)CC3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANPGXNFXNIYUNL-OEPVSBQMSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2CCN(C(=O)c3ccccc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARXBHBAIIMSZIN-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(N=S(C)(C)=O)c(Cl)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCDVLYPVQSKOK-UHFFFAOYSA-N", "SMILES:CC(CC1CCCCC1)C(=O)N1CCC(O)(CN2CC3(CCCCC3)CC2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTNKBWTSZHULO-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccccn3)ncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCUOKNOJLCAMA-QYWNIODHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-n3ncc4ccccc43)ncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFVDOONKUFBGE-QMRFKDRMSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3sccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKSKVFHYJZCOCP-ZGGTZUKQSA-N", "SMILES:CCC1CCN(CC2(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC23CCCC3)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPSWWIWUPXDTTJ-CHQVSRGASA-N", "SMILES:Cc1cn(CC2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)c(=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHJYKJIUFLIPDS-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXDUIAOCNEENE-ICCFGIFFSA-N", "SMILES:CSc1cn(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLUJTXOJNDBHMX-ICCFGIFFSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3nc(N4CCN(C)CC4)ncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXNJJYVULEBEN-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3[nH]ccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNZSZPNACNYHNZ-DMDVIOLWSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CCN(C(=O)OC(C)(C)C)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVOMGPPXFEJJB-URZATXOXSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CC(Cc3ccccc3)CC2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVUVYLCGCNMUNT-QFADGXAASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(Br)ncc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWFRRKPYNKGTJ-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(N2CCN(CC3(O)CCN(C(=O)NCc4ccccc4)CC34CCCC4)C(=O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZHRCQUROWIKPK-OMCITGBRSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(S(C)(=N)=O)c(-c3ccccc3)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYBXVRKUQSDHT-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(=O)CCC2CCCCC2)CCC1(O)CN1CC(Cc2ccccc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVPVOAMTUPZIN-YDONVPIESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C3CC3)ncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXUIUVZONKBVMH-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccncc3)ncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSTZFVZYKCSNKC-BPNWFJGMSA-N", "SMILES:COc1ccc2ccn(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQZJQKBWSFIJOY-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2ccccc2)CCN1CC1(O)CCN(C(=O)NCc2ccccc2)CC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDNSUPLHLPVFM-OVCWQMANSA-N", "SMILES:CC1CC(=O)N(CC2(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC23CCCC3)CC(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOBFKPWCOEWRR-BWDMCYIDSA-N", "SMILES:O=C(N1CCC(O)(Cn2ccncc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSLVYZFDJZGSH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPHKKTXSFQMKRG-YDONVPIESA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3nc(N4CCOCC4)ncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INDPWOXRNARTIK-HFLPEKOISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2C(=O)COc3c(N)cccc32)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVCCIREXASRFD-DNSVSACFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2C[C@@H](c3ccccc3)CC2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDMSAOBHKTRJG-VGOKPJQXSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2CCN(C)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZQQCTDIPVGUIX-ACVCQEAVSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cc(N=S(C)(C)=O)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZHRFXLIUZVVBK-BPADPFCFSA-N", "SMILES:COc1cc2ncn(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHGTMCSFXEVSE-LIXIDFRTSA-N", "SMILES:Cc1cn(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC2(C)C)c(=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFOWRORFIMNFW-QFADGXAASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(Cl)ncc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDITIRVVPCYPH-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3sccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNSEJUGYPDFQE-HFLPEKOISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3c(F)cccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHPRSBHMGZHRO-QOBPCVTDSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c3ccccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBXYJSUZWMSXOC-QYWNIODHSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3ccc(F)cc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEEMEKAPIDAUMM-RBFZIWAESA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2Cc3cnccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVSXOXIMPIDNM-ZGGTZUKQSA-N", "SMILES:COCC1CCN(CC2(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC23CCCC3)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSYZWNXNZMLCI-BWDMCYIDSA-N", "SMILES:O=C(N1CCC(O)(Cn2ccncc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZUCCKKSBLKESJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)N(C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVCACSMHYNDFS-TUZFZXNJSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(S(C)(=N)=O)c(Cl)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOLBKZWHWEHDH-JGHKVMFLSA-N", "SMILES:COc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVOMGPPXFEJJB-UHFFFAOYSA-N", "SMILES:CC(CC1CCCCC1)C(=O)N1CCC(O)(CN2CC(Cc3ccccc3)CC2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFKEQGMHROFEU-HFLPEKOISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2C(=O)C(=O)c3ccccc32)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYSEXAHXYWKSP-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(N3CCCC3=O)ncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKKHRWMNORRBNR-IHKRANBOSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNLNEBSSMSJLFE-FKSKYRLFSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2CCN(c3ccccn3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCRKQWFJPXEOEU-ILWLJGKSSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(S(C)(=N)=O)c(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJHUEGGIOZJMI-QFADGXAASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2nc3ccccn3c2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVCCIREXASRFD-OWWYDEOISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2C[C@H](c3ccccc3)CC2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIRURBCLDOHPJN-IKJXHCRLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccncc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSBFNGNCGMASB-IHKRANBOSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2Cc3ccccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDUZDFLFJJRCY-TZGCNFNXSA-N", "SMILES:CC1CN(CC2(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC23CCCC3)C(=O)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOAPJSPAISDOO-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)N(C)C3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYLKAVZYYCQMO-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXILFVVJORNDOK-JPZYQRIQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(N=S(C)(C)=O)c(-c3ccccc3F)cc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSIGBSCJMHXDCQ-ADRQNKRLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3nc(N(C)C)ncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVECLDAIQLVQDA-UHFFFAOYSA-N", "SMILES:CC(CC1CCCCC1)C(=O)N1CCC(O)(CN2CC(Cc3ccccc3)CC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVYZSGTDGVLJF-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2C(=O)COc3cccnc32)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGJTNWIWCPEOL-DMDVIOLWSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccncc3)ncc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQAXUAWTDUFGAK-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3cccnc3)ncc2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJDOGKZRWVXVNE-ADRQNKRLSA-N", "SMILES:COc1ccc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEOBYLFCDJFEQ-JGHKVMFLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCDFYKIYTWREAW-ADRQNKRLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3ccc(F)cc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNYIHSPCMTVTC-XESZBRCGSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUALRKISEZBLPJ-IHKRANBOSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXENTMODMCTXPH-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3occc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVIDUBSLXUUSW-VWRCBCJMSA-N", "SMILES:COc1ccc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRPFRXFYHKAHFP-SMFUYQKNSA-N", "SMILES:COc1cc2ccn(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMGFHAICYWZLF-RBFZIWAESA-N", "SMILES:CCn1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEVOARAYKQOBMN-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3sccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVLGKJXXBOPPD-HFLPEKOISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3ccc(Cl)cc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGBMMHURFIKOU-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3ccsc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDMBTHESCMDDS-IYOGPWPASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c3ccccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORPLWVZALZASZ-HJZHLRNFSA-N", "SMILES:COc1cc2ccn(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZAJHRJPACLWTO-JGHKVMFLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3ccc(Cl)cc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWCZOPPMPOCKX-JGHKVMFLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3ccc(F)cc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKMFFUCBMRIML-HNNQXCQYSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3cc(F)c(Cl)cc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDQCOQLEYBBANJ-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3nccnc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHAVZGJODFWLH-OJQMSQGESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3cc(F)c(F)cc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZXJIBCTWERMI-ACVCQEAVSA-N", "SMILES:CCn1cc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABWYQQKHDMILJE-HFLPEKOISA-N", "SMILES:Cc1nc2cnccc2c(=O)n1CC1(O)CCN(C(=O)[C@H](C)CC2CCCCC2)CC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDRIMSFMJRXEOF-HFLPEKOISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3ccc(F)cc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVYHHXJTMLONU-OJQMSQGESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3cc(F)c(Cl)cc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRACPEFHQOVCHA-JGHKVMFLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3cc(F)ccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANHPWTHKZJWFMA-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3ccncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQDPGZGPKIWGIS-ACVCQEAVSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2ccc3ncncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOUQEBWUILHPA-RBFZIWAESA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3ncncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHTPCJVYPZEFQU-FOEZPWHWSA-N", "SMILES:CSc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBRDCLMBKUHMX-CKAQCJTGSA-N", "SMILES:CSc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYPZSMARSKDFC-BPNWFJGMSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3nc(N4CCOCC4)ncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOKGULIWHWIPKJ-YDONVPIESA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3nc(N4CCN(C)CC4)ncc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAYDIUQICFKRTG-GMMLNUAGSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc3ccc(F)cc3c2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMRSTPIYUZQLKA-GMMLNUAGSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc3cc(F)c(F)cc3c2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKAPBTKHGGMZAA-GMMLNUAGSA-N", "SMILES:O=C(N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCIIGBQAHJZMMX-YCIOTGQKSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc3c(cnn3Cc3ccccc3)c2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRNFVCNJJZSQRN-ICCFGIFFSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3c(cnn3Cc3ccccc3)c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZFPYWTNMFPNL-GMMLNUAGSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc3ccc(F)cc3c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSXPSGZYWGYEKS-GMMLNUAGSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc3cc(F)c(F)cc3c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRZDOSTELBVHV-GMMLNUAGSA-N", "SMILES:O=C(N1CCC(O)(Cn2ccc3ccncc3c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVUEALHSRUMPQ-YCIOTGQKSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc3c(cnn3Cc3ccccc3)c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWWITNJFFYAQS-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3cn(C)nc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLRTJNYFXFXLZ-ICCFGIFFSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2c(=O)c3cncnc3n2C)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSNPKROAJCSUSY-YMQLSTQVSA-N", "SMILES:Cn1c2ncncc2c(=O)n1CC1(O)CCN(C(=O)N2CCNC[C@H]2c2ccccc2)CC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTDNDFFPAJFIO-WNEYBHKTSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccccc3)c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZVSISPQTBIUIZ-YDONVPIESA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccccc3)c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTSTOPZTHFKTM-BSXJZHEVSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc3c(cnn3-c3ccccc3)c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPCZTBIVWCFHTF-YMQLSTQVSA-N", "SMILES:Cn1cc2ncn(CC3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)c(=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVNNHARNCAZDIT-QMRFKDRMSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3c(cnn3C)c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIREVCEOOPECU-JGHKVMFLSA-N", "SMILES:C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3c(cnn3C3CC3)c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOFYVBNABTZKGU-YMQLSTQVSA-N", "SMILES:Cn1ncc2c(=O)n(CC3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXXORFVPJTKIX-CTLOQAHHSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc3c(cnn3C3CC3)c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBEWXLCPICSCFG-PWUYWRBVSA-N", "SMILES:CSc1ncc2c(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXEQQQQLCJHALB-RBJSKKJNSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2ccc3ncncc3c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKYRPZGGWOMES-YCIOTGQKSA-N", "SMILES:CSc1cn(CC2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXURHXQPCBAXSD-RTDBYYFPSA-N", "SMILES:C[S+]([O-])c1cn(CC2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENLVIKFBSZBNB-YCIOTGQKSA-N", "SMILES:CS(=O)(=O)c1cn(CC2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZXVJGXDFHEJA-MIGPJLALSA-N", "SMILES:CS(=N)(=O)c1cn(CC2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDIAFNDZBOGGK-MIGPJLALSA-N", "SMILES:CS(=N)(=O)c1cn(CC2(O)CCN(C(=O)N3CCOC[C@H]3c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEILMIJJZOQXDX-LUWJBUJKSA-N", "SMILES:CS(C)(=O)=Nc1cn(CC2(O)CCN(C(=O)N3CCOC[C@H]3c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJCETILKKLQIH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1CCC(O)(Cn2ccc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNUPZIODIRMOG-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFHOKOZNDKFXSM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAFNCKRBCXUPW-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(=O)NCc2ccccc2)CCC1(O)Cn1cnc(-c2ccccc2F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTKDVIRXZDMYOS-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKOZTQRALBBJU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccn1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYQNTQWYNJJFW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1CCC(O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JURKHXSEHJAEPW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQPCBAPDDZQTEV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1CCC(O)(Cn2cnc(-c3cccnc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJLJFYVXMVVFGT-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1CCC(O)(Cn2cnc(-c3ccncc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFAWLZFVMUZSC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1CCC(O)(Cn2cnc(N3CCCC3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIYBPRYDTSHWOO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1CCC(O)(Cn2cnc(N3CCOCC3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIXVXLSWKQOWQM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(=O)n(CC3(O)CCN(C(=O)NCc4ccccc4)CC34CCCC4)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRTVCFLSQGKCV-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cc(=O)n(CC2(O)CCN(C(=O)NCc3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YULRMJMDONYLRC-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCCC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCLIUCIULSXIK-TUHVGIAZSA-N", "SMILES:C[C@@H]1CNCCN1C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UICAGZWDOAZIEM-UHFFFAOYSA-N", "SMILES:CC(C)C1CNCCN1C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTUPUFLPBOEJNS-UHFFFAOYSA-N", "SMILES:O=C(N1CC2CC2C1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTJOAKBZHOLMB-DLFZDVPBSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXVRXUWGQXRMG-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXVRXUWGQXRMG-DLFZDVPBSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOC[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOTPZXBJRXKSBO-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKYUDWVNCOHVLA-AREMUKBSSA-N", "SMILES:O=C(NCc1cccs1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWKRINHFGQJAH-GDLZYMKVSA-N", "SMILES:N#Cc1ccc(CNC(=O)N2CC[C@@](O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNKJAFNWHPORS-MUUNZHRXSA-N", "SMILES:O=C(NCc1cccc(F)c1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNXVPVGDNAIQGF-GDLZYMKVSA-N", "SMILES:O=C(NCc1ccc2c(c1)OCO2)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNIQUOHQSOUCQ-HHHXNRCGSA-N", "SMILES:O=C(NCc1noc(C2CC2)n1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIMWOFYXAJAEA-AREMUKBSSA-N", "SMILES:O=C(NCc1ccco1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPHYFKFBJEGPJ-NBGIEHNGSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFMPFSBIBBZIPZ-XMMPIXPASA-N", "SMILES:O=C(N1CC(C(F)(F)F)C1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTXREXJUVGYYFW-RBJSKKJNSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(C3CC3)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXBYCLKKNSYJAG-PWUYWRBVSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(N3CCCC3)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIUDEAGCNCKPFC-ABYGYWHVSA-N", "SMILES:Cn1nccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCOC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDYPFRDTIOZXDS-ABYGYWHVSA-N", "SMILES:Cn1cc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCOC[C@H]4c4ccccc4)CC34CCCC4)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWIPDXPNPKEJBH-WXVAWEFUSA-N", "SMILES:CN(C)c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCOC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHWBWUTSHGSQV-GBAXHLBXSA-N", "SMILES:O=C(N1CCC(C(F)(F)F)C1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLWVZLDIIACIBK-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKPCBGFFNBYHKL-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOCC1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCPZTQNBJZGVRM-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOCC1C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCSOJIDRXJWEN-UHFFFAOYSA-N", "SMILES:COCC1COCCN1C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVVSNZMGYXBQCP-UHFFFAOYSA-N", "SMILES:CN(Cc1ccoc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGKVMNFLIUKFQ-UHFFFAOYSA-N", "SMILES:CC1CCCN1C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTOWMFUHCABOPA-UHFFFAOYSA-N", "SMILES:CN(C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APSZGYPTRPMABU-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOCC1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSQKXKWCUVPKJP-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCC12CCOC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBDSHFUFXBVMB-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(C2CC2)C1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWSGBRPOCCKXNF-UHFFFAOYSA-N", "SMILES:CN(Cc1ccns1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOOSHCMBKJXOBQ-UHFFFAOYSA-N", "SMILES:CN(CC1CC(F)C1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRDJSFKYYPRCSY-UHFFFAOYSA-N", "SMILES:CC1(C)CCCN1C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCCNYHNFSQISJ-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(C(F)F)CC1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZKRLLKPYGLGOE-UHFFFAOYSA-N", "SMILES:CN(Cc1ccco1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQHOBJQQVVXSW-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOC2CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVLRVNSTLFGKLD-UHFFFAOYSA-N", "SMILES:CN(Cc1cccnc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJMFOVXZPCLSDC-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCCC1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPMXQGYGRXWRX-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(n2cccc2)C1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZIAICNDEWWIOP-UHFFFAOYSA-N", "SMILES:CC(C1CC1)N(C)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCUJVFJDXCZPFA-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOCC1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHAGRRNQMSHTA-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCCC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEGHOPASHKIVIS-UHFFFAOYSA-N", "SMILES:O=C(N1CCCC2(CC2)C1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCHVMJOXRCSMAG-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(C#N)c1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKUEELMPNLZGF-UHFFFAOYSA-N", "SMILES:O=C(N1CC(C2CC2)C1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUCFQCUTTYAEQA-UHFFFAOYSA-N", "SMILES:O=C(N1CCOC(F)(F)C1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLWMVURHQCZIJE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1F)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBDZRSPFXGJNAQ-UHFFFAOYSA-N", "SMILES:CC(NC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIWUHTMGQNDOJL-UHFFFAOYSA-N", "SMILES:CC1(CNC(=O)N2CCC(O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQNNCAQTMXQBPZ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CNC(=O)N2CCC(O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOWAXLKXDXGLCA-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(CNC(=O)N2CCC(O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFAFNGHSWDNIF-UHFFFAOYSA-N", "SMILES:O=C(NCC1=CCCOC1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGKWDMTPDLIHZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)COC2)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTJUAUFEBJYCB-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOCC12CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQLZYSUJPMQXSW-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(C(F)F)C1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKFVBZREXTWCSQ-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOCC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGQECQCSDVZBV-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCCC1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPTTYTGGUMNZPI-ZZDYIDRTSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCC[C@H]1c1ccon1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKFJOWVEUWLXHB-UHFKCPIBSA-N", "SMILES:CN(C)C(=O)[C@@H]1CCCN1C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKDJDKYYYTTCF-YJJLJQPASA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCC[C@H]1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKFOZPSGMGIPL-YMQLSTQVSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCC[C@H]1c1ncn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXGAMNKPXDSTFN-UHFKCPIBSA-N", "SMILES:Cc1nc([C@@H]2CCCN2C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOCNNMOJNCGFU-PAMMARIWSA-N", "SMILES:CC(C)c1coc([C@@H]2CCCN2C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GREJQRKDEWDODX-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CNCCN1C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFXPDBXXRQENSQ-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CNCCN2C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKDOUIBZLMOJRA-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CNCCN2C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVFMBUTZZMEBV-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPZYAYLYAUWPGP-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFQZBOGXDDBQAR-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGBHFOZPXLUHD-UHFFFAOYSA-N", "SMILES:COCC1CNCCN1C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTJOAKBZHOLMB-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAIVXFEKRZZPS-RYCFQHDISA-N", "SMILES:CC(=O)N1CCN(C(=O)N2CC[C@@](O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXHAVRRFEKUGEZ-LMUZMDBKSA-N", "SMILES:O=C(N1CCC(O)(Cn2ncc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONQKCUDWLUMARG-GMCHKSTQSA-N", "SMILES:CN1CCN(C(=O)N2CC[C@@](O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPOHFLNMVLRGFM-NBGIEHNGSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJJRAFVCMOHWTJ-QPQHGXMVSA-N", "SMILES:CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)N3CCOC[C@H]3c3ccccc3)CC2(C)C)c(=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPVIMFCIUPHVAE-ABYGYWHVSA-N", "SMILES:Cn1nccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCOC[C@H]3c3ccc(F)cc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXDYLIKWKRNNFA-ABYGYWHVSA-N", "SMILES:Cn1cc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCOC[C@H]4c4ccc(F)cc4)CC34CCCC4)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFCNCYUIEZNLJD-FREGXXQWSA-N", "SMILES:CC1(C)CN(C(=O)N2CCOC[C@H]2c2ccccc2)CC[C@@]1(O)Cn1ccc(-c2ccccc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYLNHQEZQYCQM-GMCHKSTQSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2ccc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFQUCLAUJJRDR-FREGXXQWSA-N", "SMILES:CC1(C)CN(C(=O)N2CCNC[C@H]2c2ccccc2)CC[C@@]1(O)Cn1ccc(-c2ccccc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEMSQRQAQKKJN-ABYGYWHVSA-N", "SMILES:Cn1nccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFNSIIZJPZWEA-PWUYWRBVSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(N3CCCC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYJPJRPTLKYQY-ABYGYWHVSA-N", "SMILES:Cn1cc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USYCSZOWOYNZTK-RBJSKKJNSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(C3CC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMYSYRSXXBQJH-QVWWMRLHSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZUIZQTGSTKHM-LEAFIULHSA-N", "SMILES:O=C(N[C@H](c1ccccc1)C(F)(F)F)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOPCHILKMMGPB-DEOSSOPVSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)CC1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNVRTXCUPMVIY-MLAKCTNMSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAKGNOVAIFUQD-DEOSSOPVSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)CC1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFZYQVKRJBSERP-MLAKCTNMSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAXURKYCZMBYJL-SSEXGKCCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCCN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTNDRPWYMUJHIP-BKMJKUGQSA-N", "SMILES:Cc1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGLWZGPQXIXDSV-MUUNZHRXSA-N", "SMILES:O=C(NCc1cccc(F)c1F)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVQJNBHCJJIGA-MUUNZHRXSA-N", "SMILES:O=C(NCc1c(F)cccc1F)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYFROISUPRDTH-MUUNZHRXSA-N", "SMILES:O=C(NCc1ccc(F)cc1F)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOWARVCEMHMHG-MUUNZHRXSA-N", "SMILES:O=C(NCc1ccc(F)c(F)c1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBPKVMALEMNWMT-PKMDPOOCSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGWWGYWYARIQO-PKMDPOOCSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMHZFWRVRXAPRY-RUZDIDTESA-N", "SMILES:O=C(NCC1CC(F)(F)C1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNVXIEYJYRDCTQ-JOCHJYFZSA-N", "SMILES:O=C(NC(C(F)(F)F)C(F)(F)F)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVEFGKDNWGWBSX-GGXMVOPNSA-N", "SMILES:O=C(N[C@H](c1ccccc1)C(F)(F)F)N1CC[C@@](O)(Cn2ccc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJXLBWPUCMYASC-ABYGYWHVSA-N", "SMILES:CC1(C)CN(C(=O)N2CCOC[C@H]2c2ccccc2)CC[C@@]1(O)Cn1cnc(-c2ccccc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSRYNISMJFGQRL-RUZDIDTESA-N", "SMILES:O=C(NCC1(F)CC1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGHLZAAKXDUMIS-AREMUKBSSA-N", "SMILES:O=C(NCC1(F)CCC1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRELSIHIKGAYKM-AREMUKBSSA-N", "SMILES:CN(CC1CC1)C(=O)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYKEBNHVQZYDC-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTBMRXZGBSZJA-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3cccc(F)c3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKHFNQIDNUBBY-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccc(F)cc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPUIQHFKLYRTI-QVWWMRLHSA-N", "SMILES:COc1ccccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYRZESPILMLLFP-RYCFQHDISA-N", "SMILES:CN(C)c1ccc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPXYMAZOCCMNF-HFZDXXHNSA-N", "SMILES:CNc1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIWDFNQECFABMO-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZAYFFQNMYDGOK-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCOCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPAXQIKZCDMCI-ABYGYWHVSA-N", "SMILES:CC1(C)CN(C(=O)N2CCNC[C@H]2c2ccccc2)CC[C@@]1(O)Cn1cnc(-c2ccccc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFQHYUXCSJVGV-GMCHKSTQSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCN(CC(F)(F)F)C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRAPETDUJQCFQS-HFZDXXHNSA-N", "SMILES:COc1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULGUICHCBSZBT-LMUZMDBKSA-N", "SMILES:O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCOCC2)C1)N1CCOC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFHXAJTNKQWGE-BKMJKUGQSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2ccc(Cl)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFQPEUSVHBHRR-ABYGYWHVSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2ccc(C3CC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGQQPLFDTIKTOV-FREGXXQWSA-N", "SMILES:Cn1nccc1-c1ccn(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHZHAIQKTRGWQI-FREGXXQWSA-N", "SMILES:Cn1cc(-c2ccn(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)c(=O)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDLGFIPIOGKSY-FREGXXQWSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2ccc(N3CCCC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSRGKIXGLATGC-MLAKCTNMSA-N", "SMILES:O=C(N1CCC(O)(Cn2cc(F)c(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBRSCBZUUQMAFU-BSXJZHEVSA-N", "SMILES:O=C(N1CCC(O)(Cn2ccc(-c3ccccc3)c(F)c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEGKDJGLEZUCOZ-SLJLDQLWSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCSCC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGPVWXNXGLVEMK-FIPACNHXSA-N", "SMILES:N=S1(=O)CCN(C(=O)N2CC[C@@](O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)C(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUDMKGHATITQTL-SLJLDQLWSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCS(=O)(=O)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXULKFIRHAGDI-SLJLDQLWSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZQZFUNAEVFRPV-SNSSHHSLSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVVLOGYIDXQRV-GMCHKSTQSA-N", "SMILES:COc1cccc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVYVKBNDOSWBKV-GMCHKSTQSA-N", "SMILES:COc1ccc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTFYUQQXUPFDM-GMCHKSTQSA-N", "SMILES:Cc1ccccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEAKMQOWXSILN-GMCHKSTQSA-N", "SMILES:Cc1cccc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNPGSECSFMGKFR-GMCHKSTQSA-N", "SMILES:Cc1ccc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJVDDOXPAEGDX-PWUYWRBVSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3cccs3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTXCGZOHTADUHA-ABYGYWHVSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccsc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZJMUBREPLIIU-QABMSTFYSA-N", "SMILES:COc1ccc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVOPIAMMIRJXLB-QPQHGXMVSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccc4c(c3)CCO4)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVSKCWRNHZQLQ-RYCFQHDISA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccc4c(c3)COC4)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPUISMKFWJKHX-SETSBSEESA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(N3CCCCC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSJPXMLJKZMIY-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccc(Cl)cc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNQBCJFYBMBOCX-BFGHFXMOSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccc(OC4CC4)cc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSRMHJBOKPSDOP-PWUYWRBVSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(N3CCC(F)(F)CC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKUEJLBSWNIDO-AMOMTVJWSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(N3CC4CC4C3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVFZRPKOSCTED-QPQHGXMVSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccc4c(c3)OCC4)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNIJWWOEHAQXNX-SUYBVONHSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3OC(F)(F)F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUQJNCXMXBLGEM-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMOADQRGDNZWIG-QVWWMRLHSA-N", "SMILES:COc1ccccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3cccc(F)c3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLXUXGFDJDDTOF-WXVAWEFUSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(N3CC(F)(F)C3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHOFHJBQLGLCCW-HOINCLMKSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKHFSJAJVTXAGN-NEKDWFFYSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(N3CCC(F)(F)C3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYOVPIXJLGVHDY-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3C(F)(F)F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLJKBKFBAMWES-SETSBSEESA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(N3CCC(F)CC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZXDAEWPXQVGNF-PWUYWRBVSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNHDQTUTDXVJR-PWUYWRBVSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(N3CCCC(F)(F)C3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPPFESLWXSOND-XYFQYJLHSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3OC(F)F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZAZMHAEDNTDW-ZBWWXOROSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3OC3CC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYTHNWUBQXRZAU-QVWWMRLHSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3C(F)F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXWUWRWQSKDTK-SUYBVONHSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYYIBPJFGLUNU-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXFPTCCHRNEMRR-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJBEEHVRFPCFB-SLJLDQLWSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENGVIADTNDKRY-ABYGYWHVSA-N", "SMILES:Cn1ccc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKARXLKXVKENF-SUYBVONHSA-N", "SMILES:O=C1CN(C(=O)N2CC[C@@](O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2ccccc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBLKWVUJQOOVSQ-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPDNOSWARBIRGC-GMCHKSTQSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2ccc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQRBUYDVTUKLPC-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3cccc(F)c3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POICTTGYTDVWLU-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3cccc(F)c3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIMMMMVEOSJSW-RBJSKKJNSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(C3CC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYBIMVVHPOCAIA-RBJSKKJNSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(C3CC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISNRNUCXJVUDMF-SLJLDQLWSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YREPWTLQMVUUDR-SLJLDQLWSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEDANZKJKKCIT-XYFQYJLHSA-N", "SMILES:COc1cccc(F)c1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRGMZMQKVEGGV-QVWWMRLHSA-N", "SMILES:Cc1cccc(F)c1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFTYCIYIJMOOC-QVWWMRLHSA-N", "SMILES:COc1c(F)cccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXRZNIMXKQRHA-QVWWMRLHSA-N", "SMILES:COc1ccc(F)cc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAILOIBGRQFGA-SUYBVONHSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3cccc(F)c3F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIIRMPWNSOAID-GMCHKSTQSA-N", "SMILES:Cc1cccc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCNC[C@H]4c4cc(F)ccc4F)CC34CCCC4)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKMHIZQRFTZAME-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMYUAEPKFNEFJS-QVWWMRLHSA-N", "SMILES:COc1ccccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3cc(F)ccc3F)CC23CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLMNXFHLSVZOCQ-RQRPKJDZSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(N3CC4CC4C3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMMGYCTRFCPMW-XDFJSJKPSA-N", "SMILES:C[C@@]1(c2ccccc2)CNCCN1C(=O)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDQXRUTZLPJMC-GMCHKSTQSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2ccc(-c3ccccc3F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPMHYDJGVUYNW-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTBLBLKQMCPUPU-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCSC[C@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATKNZZMWBFING-JTSJOTPCSA-N", "SMILES:O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCS(=O)(=O)C[C@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGMZSKBXKXKCQ-ZTHWJXPNSA-N", "SMILES:N=S1(=O)CCN(C(=O)N2CC[C@@](O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2cc(F)ccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUYPEWSYXZZSSU-ZSHICZCASA-N", "SMILES:N[C@H]1CCN(C(=O)N2CC[C@@](O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUYPEWSYXZZSSU-OBNYREETSA-N", "SMILES:N[C@@H]1CCN(C(=O)N2CC[C@@](O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083170", "category": ["biolink:ChemicalEntity"], "name": "INAXAPLIN", "xref": ["InChIKey:CTXLPYZCBOVVQK-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"], "synonym": ["Vx-147", "VX-147", "VX147", "Inaxaplin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHTXOAUVHFTLP-KRWDZBQOSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAWRGWPULAFBNW-INIZCTEOSA-N", "SMILES:O=C1C[C@H](NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFVZNNJGSSGKS-MCEAHNFKSA-N", "SMILES:CC1C[C@H](NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXLPYZCBOVVQK-OXJNMPFZSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)N[C@H]1C(=O)NC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHTXOAUVHFTLP-QGZVFWFLSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)N[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSXDPNXCAPXYNA-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXLPYZCBOVVQK-OXQOHEQNSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)N[C@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAWRGWPULAFBNW-MRXNPFEDSA-N", "SMILES:O=C1C[C@@H](NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEAZMFKHTBYOFZ-KRWDZBQOSA-N", "SMILES:O=C(CCc1c(-c2ccc(OC(F)F)cc2)[nH]c2c(F)cc(F)cc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHIFIDWVHTOFW-UTKZUKDTSA-N", "SMILES:Cc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKXTUYUIPYXUEP-SFHVURJKSA-N", "SMILES:Cc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CCC(=O)N[C@H]2CCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKXTUYUIPYXUEP-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CCC(=O)N[C@@H]2CCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAESTKVBSLOHJM-KRWDZBQOSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(F)cc(F)cc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNBUPPVNGVGPNL-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXJZBHERFIZKB-KRWDZBQOSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(Br)cc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYGUADZIWEYTL-UTKZUKDTSA-N", "SMILES:Cc1cc(F)c2[nH]c(-c3ccc(F)cc3)c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQKTGOFSPPBCP-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(Cl)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPJLZBPIRWANM-SFHVURJKSA-N", "SMILES:Cc1cc(F)c2[nH]c(-c3ccc(F)cc3)c(CCC(=O)N[C@H]3CCNC3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUQQHJZRQGYQD-KRWDZBQOSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(Cl)cc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUQQHJZRQGYQD-QGZVFWFLSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(Cl)cc12)N[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVYBXDBBCXVAE-KRWDZBQOSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(Cl)cc(F)cc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLSQICBMNOFHL-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(Cl)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCNMWUYPJHYAC-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(Cl)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATWLLUECXTICE-UTKZUKDTSA-N", "SMILES:Cc1cc(F)cc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKWOAIVYLEIQU-SFHVURJKSA-N", "SMILES:Cc1cc(F)cc2c(CCC(=O)N[C@H]3CCNC3=O)c(-c3ccc(F)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXENNTAEOGGJLZ-IERDGZPVSA-N", "SMILES:COc1cc(F)cc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHANLPBHIVQPKB-KRWDZBQOSA-N", "SMILES:COc1cc(F)cc2c(CCC(=O)N[C@H]3CCNC3=O)c(-c3ccc(F)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOUKGCFYJSFPGH-IBGZPJMESA-N", "SMILES:Cc1ccc2[nH]c(-c3ccc(Br)cc3)c(CCC(=O)N[C@H]3CCNC3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVUHSZQZLOLGJS-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWGHTMHWUKCPK-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQZQMMGXABQOL-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHBTAZNEXDNMN-SFHVURJKSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHBTAZNEXDNMN-UHFFFAOYSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NC1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHBTAZNEXDNMN-GOSISDBHSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSELNYTZBKEQRN-UHFFFAOYSA-N", "SMILES:CN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIFMHGORNKEFCA-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJJFDCHQCGHHDO-SFHVURJKSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JICYERSNZJDUID-VWLOTQADSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(OCc3ccccc3)cc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNDZKNMSENTEGP-INIZCTEOSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)c(F)ccc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTHIOMTXSKPRN-QRWLVFNGSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)c(F)ccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQNWJESWGDGIEY-QRWLVFNGSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(F)c(F)ccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFHXOZYAIKUHOI-KRWDZBQOSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(F)cccc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXINXYFZBLGCE-GCJKJVERSA-N", "SMILES:C=Cc1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFRSIUAHRSDXLA-XXBNENTESA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(C3CC3)cccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCGENGMXYYFEW-DZHRLERZSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(C3CCOC3)cccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLCAVNRTRKYHLS-GCJKJVERSA-N", "SMILES:CC(C)(O)c1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZVLAPCEHFHPL-XXBNENTESA-N", "SMILES:C=C(C)c1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIDGSBCOLAYODF-XXBNENTESA-N", "SMILES:CC(C)c1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVJSYXSOPRKRO-UTKZUKDTSA-N", "SMILES:Cc1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUGSXYYDVNNEB-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKJBFDYHRNRDN-UTKZUKDTSA-N", "SMILES:Cc1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKBLSBQXIZWNBG-KRWDZBQOSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(Cl)cccc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPKZOZGWPYBGEP-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(Cl)cccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNDQARQPQPAMGV-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(Cl)cccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBBSMTYNZFPQFR-KRWDZBQOSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cccc12)N[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNNHROBQXNMZEM-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKFMUJQZIIHBZ-VLIAUNLRSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)c(F)c(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIETZPUPOIFVKR-VLIAUNLRSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(F)c(F)c(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVCLVDILBVRMY-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2cc(F)c(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRQXHGNPLPWTRA-UTKZUKDTSA-N", "SMILES:Cc1c(F)ccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUIUDQGEWHYNC-UTKZUKDTSA-N", "SMILES:Cc1c(F)ccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAJOBEPPPQVRQO-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2cc(F)cc(F)c12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRPZFZCPHXQZNT-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNYZYDUBGMRAFP-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXLPYZCBOVVQK-MSPAXOQBSA-N", "SMILES:[2H]C([2H])(C(=O)N[C@@H]1C(=O)NC[C@H]1O)C([2H])([2H])c1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXLPYZCBOVVQK-PTQVSDHKSA-N", "SMILES:[2H]C(C(=O)N[C@@H]1C(=O)NC[C@H]1O)C([2H])c1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYINBTJUTHARFV-PPJBHMPFSA-N", "SMILES:C[C@@H](Cc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)C(=O)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNUIRHNFJMWRLI-QAPCUYQASA-N", "SMILES:O=C1NC[C@@H](O)[C@@H]1NC(=O)C(F)(F)Cc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRQAWUYYYUBJU-IERDGZPVSA-N", "SMILES:Cc1c(F)c(F)cc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZJZTEUFRPMFHH-IERDGZPVSA-N", "SMILES:Cc1c(F)c(F)cc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXDFYFGVUMKEM-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(C(F)F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANBNTRMWCWBMRD-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(C(F)(F)F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXLOSKKHPBAPW-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(OC(F)F)cc2)[nH]c2c(F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTXWSCWGVDURT-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2cccc(F)c2)[nH]c2c(F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMCHJOGAGOLDC-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2cc(F)cc(F)c2)[nH]c2c(F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXBGQWDJOYEUDD-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)c(F)c2)[nH]c2c(F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMQHBVVHXWMNKA-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(OC(F)F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGZYMASRJYIVAD-QRWLVFNGSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(OC(F)F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZPHHIPMVTBJD-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(C(F)(F)F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDAJNJUXJJPHI-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2cc(F)ccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSORDUZRPHZQJF-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(C(F)(F)F)cccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKARTLDYTQXNDZ-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(C(F)(F)F)cccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNOIUIQMZMLOH-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccc(Cl)cc2)[nH]c2c(Cl)cccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXURLGJJHPQLW-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2cccc(F)c12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPVIQAJHCAJYSI-NQIIRXRSSA-N", "SMILES:N#Cc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZSQPWGCOWFRR-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(OC(F)F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLTJKCYYVVFWOH-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBHLJHHSIVQCFK-NQIIRXRSSA-N", "SMILES:Cc1cc(F)ccc1-c1[nH]c2ccccc2c1CCC(=O)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIAVCXVDFYCSF-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(Cl)c(F)c2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXWHCIZSPDJLW-NQIIRXRSSA-N", "SMILES:Cc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCGIODZCQAJGO-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRNGRVSGODYLX-NQIIRXRSSA-N", "SMILES:Cc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVJHULOGABHXHK-NQIIRXRSSA-N", "SMILES:Cc1cc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJLRHIQOOCFQG-NQIIRXRSSA-N", "SMILES:Cc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMKLJVIOPGOQQ-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2cc(F)cc(F)c2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKVMPJJXVNXRSS-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILLFOPYOPFEFK-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)c(F)c2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZAKGRPHOXGJHS-QAPCUYQASA-N", "SMILES:O=C(CSc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URYKRFDFZYMIOH-XLIONFOSSA-N", "SMILES:O=C(CCc1c(-c2ccc(C(F)F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLIKQBLXGXNNM-UZLBHIALSA-N", "SMILES:O=C(CCc1c(-c2ccccc2)[nH]c2c(C(F)(F)F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNYZYDUBGMRAFP-YLJYHZDGSA-N", "SMILES:O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRCVWDGYMSOAB-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRBKAGGCYBZLSP-GOSISDBHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTBKOVWSXOCOV-GOSISDBHSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC3COC3)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJUKOQLYDIEFQA-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC3(C)COC3)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYZRRNVYDMMRP-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC3(CO)COC3)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLHBBMLTADMEC-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC3(C)COC3)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQUZJQHGMYONJO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC3(CO)COC3)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDDYFMWLAYMHG-LJQANCHMSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMLXYZRKAAXOD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ncc(NC(C)(C)CO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVQELRTBASDQH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cnc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATIYCOFZLJOAI-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSITXPVNCBINM-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cnc(S(=O)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTQOZOQWBPGCCP-KXQOOQHDSA-N", "SMILES:Cc1cc(NC(=O)c2cnc([S@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTQOZOQWBPGCCP-LHEWISCISA-N", "SMILES:Cc1cc(NC(=O)c2cnc([S@@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYFUCSOOYVWSB-KXQOOQHDSA-N", "SMILES:Cc1cc(NC(=O)c2ncc([S@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYFUCSOOYVWSB-LHEWISCISA-N", "SMILES:Cc1cc(NC(=O)c2ncc([S@@](=N)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFBXPEOPCYDCDL-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ncc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGFPIUGSIPMEU-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cnc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPISVMTFCMOAY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cnc(NS(=O)(=O)CCO)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKUIFAUTUHXEU-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ncc(S(=O)(=O)C3CC3)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYJUWCOYKESOC-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cc(NCCO)ncc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFGLTFBQXIZADG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2)c1ccnc(N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPYCXWHJKLMBR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ncc(NS(=O)(=O)CCO)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYVXYHUUPGHJX-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)Oc1ccccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVKDOYXTSRZRL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(C2=CCCCC2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWMNLPBGOMHTG-UHFFFAOYSA-N", "SMILES:C=Cc1cc(C(=O)NC2c3ccc(C)cc3Oc3cc(C)ccc32)c(=O)[nH]c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKWBAYPWRIXGG-UHFFFAOYSA-N", "SMILES:O=C(NC1c2ccccc2Oc2ccc(C3CC3)cc21)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUWQUCGRTZMDQ-UHFFFAOYSA-N", "SMILES:CCCc1cc(C(=O)NC2c3ccc(Cl)cc3Oc3cc(Cl)ccc32)c(=O)[nH]c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZELOPZASDLHZHF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVHYOYYFUGIDPA-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)NC2c3ccc(C)cc3Oc3cc(C)ccc32)c(=O)[nH]c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOBDETZVFYFXQU-UHFFFAOYSA-N", "SMILES:O=C(NC1c2ccccc2Oc2cc(CC(F)(F)F)ccc21)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHETWTGEHYYFRL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(NC(=O)c2cc(C)c(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFYSQZTVWTQKY-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccc(-c2cccnc2)cc1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEDATINUJABWMR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(Cl)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWOKOAKNHLWIH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cccc(Cl)c1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWBWGPGKQSMCFP-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccc2c(c1)CCCC2)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWYTVIKAZRKEB-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cccc(C)c1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNZIEIKTMKBQKP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWLBAWVPPLEGS-UHFFFAOYSA-N", "SMILES:O=C(NC1c2ccc(Cl)cc2Oc2cc(Cl)ccc21)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCLOTWMZJDPAK-UHFFFAOYSA-N", "SMILES:O=C(NC1c2ccc(Cl)cc2Oc2cccc(Cl)c21)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQOMWRWWEWMXTP-UHFFFAOYSA-N", "SMILES:O=C(NC1c2ccccc2Oc2cc(Cl)ccc21)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUPWKQSZHNEKIW-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1ccccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGAPUMSFFGKXEN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)Oc1ccccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIEGVOWMVCLYDT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(-c2ccncc2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUYCLLHYWQMGD-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(N2CCOCC2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFMANOGPCLVRAW-UHFFFAOYSA-N", "SMILES:C=CCc1cc(C(=O)NC2c3ccc(C)cc3Oc3cc(C)ccc32)c(=O)[nH]c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVVTULZCLIZPR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(N2CCCCC2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YERIARHUESQPSL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(N2CCN(C)CC2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZOLTIPRKHVSS-UHFFFAOYSA-N", "SMILES:CCCc1cc(C(=O)NC2c3ccc(C)cc3Oc3cc(C)ccc32)c(=O)[nH]c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWSMCXCAFUQTPJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(Cc2ccccc2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTMJRNMCADLZMA-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(-c2ccccn2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIMDJCHPMXKTST-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(CCc2ccccc2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHYFFPCETBOAMZ-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKWAOSGCCMMMI-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(-c2ncccn2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFSUZNKRZBHKX-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Sc1cc(C)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKIRXDVCYFNAV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(-c2cncnc2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRILGXFYCJVVNE-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(-c2cnccn2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVBQNBRZGIFATQ-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccc2c(c1)COC2)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXODSZMGMWYKFT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Sc1cc(C)ccc1C2NC(=O)c1cc(-c2ccncc2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIACAYYOSCIGLN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(C2CCOCC2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFWRXMJYUUZGQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(C2CCCCC2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXCRSWUWOIBRAJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(OC2CCOCC2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVNHVQGCGGGBW-UHFFFAOYSA-N", "SMILES:CCC1CC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYIMLOCUKOKSTE-UHFFFAOYSA-N", "SMILES:CSc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCCCAVFEWQPBDN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(CC2CCCCC2)NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZNDRPVEAKPLDN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDSIPWBINHQLSY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Sc1cc(OC)ccc1C2NC(=O)c1ccc(C(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKJKYQVMRTLHV-UHFFFAOYSA-N", "SMILES:CCCC1CC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAOJXTPOZDPGFZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFPMKHFZQHZKO-UHFFFAOYSA-N", "SMILES:O=C(NC1c2ccccc2-c2ccc(C(F)(F)F)cc21)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIVCCKIQSMKHLF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cnccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTJUBHTQXOBCV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Sc1cc(OC)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTGNDOLAKKVOT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Oc1cnccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBVSVDPYAHDGS-UHFFFAOYSA-N", "SMILES:CCc1sc2cc(C)ccc2c1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDITYYLNSXWKH-UHFFFAOYSA-N", "SMILES:CCCc1cc(CCC)cc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVNGKFUEZUYFX-UHFFFAOYSA-N", "SMILES:Nc1cccc2c(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAPDLRXYGHWDBJ-UHFFFAOYSA-N", "SMILES:CCCc1sc2cc(C)ccc2c1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXRZXMWACSSJS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Sc1cc(C)ccc1C2NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEPKBEBNBCHWPO-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Sc1cc(C)ccc1C2NC(=O)c1cc(-c2ccccn2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMUBOPPPZPPIT-UHFFFAOYSA-N", "SMILES:CCC1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNEUYQMCOKTEGP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGFGLMBRAQADP-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOYEOBUCZKNEP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDXKDJYVRYAQO-UHFFFAOYSA-N", "SMILES:O=C(NC1c2ccc(F)cc2-c2cc(F)ccc21)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBASOWMUPXZCPX-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccccc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMSODZGSCQSFY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)-c1cc(C)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZFCVZXFAZSFO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-c1cc(OC)ccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWEZFDXXWNXSEZ-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccc(CC(F)(F)F)cc1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWTDVXDCKPVWGQ-UHFFFAOYSA-N", "SMILES:O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFSXUNNMOLPST-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZQOBYNTLOYUQH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNRRLVZUSMTQE-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHYJZGIMXZIMK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIGHTWDVIJFVJI-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUGMQRFYGSWIRS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUMKFSNWRWPXGE-UHFFFAOYSA-N", "SMILES:C=Cc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBITEFNBBXPNN-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEVCEUCAXWFHD-UHFFFAOYSA-N", "SMILES:O=C(NC1c2ccccc2-c2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJUFRJIQCPUEB-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccc(O)cc1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDZAXFHGMAABO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZJFMJNAKGPJO-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccccc1Cl)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWEKPMCICZMNTG-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZMYRQQLFQPHQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDOTTMNNWBGCT-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWHSEGKOORPND-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLNAHFZSJOAKMA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYWLQEYVOTUGRY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(C2=CCN(C)CC2)c(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHPDFBAXLNUZGD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Sc1ccccc1C2NC(=O)c1ccc(C(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZFVIXWXIOQGDW-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)OCCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMVPKFUTPDKTAQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1ccncc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRWDKDXTZVNKQI-UHFFFAOYSA-N", "SMILES:Cc1cnc2c(c1)Oc1ccccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSDLZZOHKECTC-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)OC1CCCCC1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKNFVNLHGJIIN-UHFFFAOYSA-N", "SMILES:CCCC1Cc2cc(C)ccc2C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKEXEQBSJZTFOW-UHFFFAOYSA-N", "SMILES:CCC1Cc2cc(C)ccc2C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMKVKAJSEJNBQH-UHFFFAOYSA-N", "SMILES:CCC1Cc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWZNLTDRZBBUOK-SWLSCSKDSA-N", "SMILES:CC[C@@H]1Oc2cc(C)ccc2[C@H]1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUILKLZAYOANHV-HOCLYGCPSA-N", "SMILES:CCC[C@@H]1Oc2ccc(C)cc2[C@@H]1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXIVFQRUOLGERM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Sc1cnccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQKYMLYIAHXESR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)Sc1cccnc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYBDJVWRPZAKN-UHFFFAOYSA-N", "SMILES:COC1Cc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOEKOYKAAJOXJK-UHFFFAOYSA-N", "SMILES:CCC1CCc2cc(OC)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMKRTCVAYXIHA-BLLLJJGKSA-N", "SMILES:CCC[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2cc(C)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMUJGNFBFALVDE-UHFFFAOYSA-N", "SMILES:CCC1Oc2ccc(C)cc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNRWDDYLZWKWJU-UHFFFAOYSA-N", "SMILES:CCCC1CCc2cc(OC)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWRWGBGEQWHCY-UHFFFAOYSA-N", "SMILES:Nc1cccc2c1CCCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJHLQXDRCDFKR-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCc2c(O)cccc21)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHNVFGFDSRABI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c(O)cccc12)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNVVQDTSHXRAH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(C)CCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQJFPAODGNUHF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cnc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGVVJOZTDKIPAA-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(c2ncccc2C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWAHIBWEGOCBLX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJLDZIIDSRUBJ-UHFFFAOYSA-N", "SMILES:CCC1CCN(c2ncccc2C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOECQFVEQMUNTF-UHFFFAOYSA-N", "SMILES:CCCC1CCN(c2ncccc2C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJETYECJBZAHNQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccnc1N1CCC2(CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCICTDGSTBIAJN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCC(F)CC2)c1)c1cccnc1N1CCC2(CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEFLXKLJUXBZRY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCC(F)(F)CC2)c1)c1cccnc1N1CCC2(CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYAMAWXDLPLVOM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCC(F)(F)CC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYXOZBFKSIPFP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCC(F)CC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIHCEGEFXBSCB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccnc2N2CCC(C)(C)CC2)cc1S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSIABRFFIGITR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)cc1S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVHZEZIUFZKRL-UHFFFAOYSA-N", "SMILES:CC(C)NS(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTULOJLYNJFBJX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQHSJPNNQDUCS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)cc1S(=O)(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTGVJAKXOHYDD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQPGQCFWFJTMHR-UHFFFAOYSA-N", "SMILES:CCC1CCN(c2ncccc2C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJTXCYGUHZLELR-UHFFFAOYSA-N", "SMILES:CCC1(C)CCN(c2ncccc2C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JURDFLDBJFFZHB-UHFFFAOYSA-N", "SMILES:CCCC1CCN(c2ncccc2C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWZJEZFDANTQLK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccnc1N1CCC2(CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZBBXGWADFSJJD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccnc1N1CCC2(CC1)CC(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMAUMVWAPCOKA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)cc1S(=O)(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUJJWILWZLRKN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1F)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPRWBSXIAHRPV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)CC2CC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRJGDGVYMIBQDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQSRPBAQPVKEW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDPWLNLNVCGFPF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKCWVUSZBMZTK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)NC2CCC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJZIIYTWDTWOE-UHFFFAOYSA-N", "SMILES:CN(C1CCC1)S(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBABNUGTAGNNQW-UHFFFAOYSA-N", "SMILES:CC1(NS(=O)(=O)c2cccc(NC(=O)c3cccnc3N3CCC4(CC3)CC4)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTHUBRNVHVAOR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)NC2CCCCC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSXAJMVZBPMNEH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CC(F)(F)C2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPBOBIRBSFTGU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURJWXBQFAWZIA-UHFFFAOYSA-N", "SMILES:CC1(NS(=O)(=O)c2cccc(NC(=O)c3cccnc3N3CCC4(CC3)CC4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYVKXXLOFDYJEV-UHFFFAOYSA-N", "SMILES:CC(C)(CF)NS(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFDZZHXFJYGCAG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)NC2CC(F)(F)C2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPBBQDCOOMOFL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZSQRCYVHTUIO-HXUWFJFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC[C@@H](O)C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQYZMILGDZGJU-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)c(N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMJFPICQRAZGZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCC(F)(F)C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIVKBQACHFQTHB-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCC3(C)C)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZSQRCYVHTUIO-FQEVSTJZSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC[C@H](O)C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFFNKZRDMEPMA-BGYRXZFFSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3C[C@H]4C[C@H]4C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFSRXWDTHVYEB-XXBNENTESA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC[C@@H]4C[C@@H]43)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCOKUSKPMMOKC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAXICNUUAWHAP-NHCUHLMSSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H]3CO4)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHFXVPPNAKUVQZ-BWKNWUBXSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC[C@H]4CC[C@@H]3O4)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFURQUIQMSXAKK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCC3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXKUXCDXXHDFB-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC(C#N)C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHAOGUCCFOZPLN-UHFFFAOYSA-N", "SMILES:COC1CN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)c(N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIPZFOHMQDDYJO-UHFFFAOYSA-N", "SMILES:CC1(O)CN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)c(N3CCC4(CC3)CC4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZWLHXZKHRFLKJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC(O)(C(F)(F)F)C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPBLJKQPBDNJQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC(S(C)(=O)=O)C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHGMMQBMBCVYMU-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3CCC3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYVKEVKIKTMPR-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3CC(F)(F)C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDQMPJXWVVDEU-DHIUTWEWSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N[C@@H]3CCC[C@H]3O)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDQMPJXWVVDEU-XZOQPEGZSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N[C@H]3CCC[C@H]3O)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDRNEZVYGRXZJJ-VXKWHMMOSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N[C@H]3COC[C@@H]3O)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKBZNKJSCPWVPG-HXUWFJFHSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N[C@@H]3CCOC3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMESZNPASUXQFN-RTWAWAEBSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N[C@@H]3CC[C@H](O)C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMESZNPASUXQFN-SFTDATJTSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N[C@H]3CC[C@H](O)C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZJSIGIKWDOPQ-DHIUTWEWSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N[C@@H]3CCOC[C@H]3O)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFBUWXHAINRYLJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3COC3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTBCMVSGBFQAAK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3(C)COC3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNJDTRGLLQUHA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3(CO)COC3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXAHZOUKVQSQAC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3(CO)CCC3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCCIURGCNTULNL-BGYRXZFFSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N[C@H]3C[C@@H](O)C3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUCAEAGGQLHNOB-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NCCCO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCIUVWDIBVCIK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NCc3ccccc3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRJRCWFCNFCJA-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMHVDPHHWRTNOB-UHFFFAOYSA-N", "SMILES:COCCNc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOAHQQJHVTYFLM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NCCCO)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBNDEOXENZROX-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNHVAVTHUVSNY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NC2(CO)CC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLROXGCZOWVPHI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NC2(CO)CCC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJWRBNMICGRBZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NC2(CO)COC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDZIRLIORKWQHY-UHFFFAOYSA-N", "SMILES:CC(C)(CCO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOEBQZXZENBHIZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NCC2(O)CC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAGOGOEIFFMPY-IBGZPJMESA-N", "SMILES:C[C@@H](CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAGOGOEIFFMPY-LJQANCHMSA-N", "SMILES:C[C@H](CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSGNVPCWHTYCZ-LJQANCHMSA-N", "SMILES:C[C@@H](O)CNc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSGNVPCWHTYCZ-IBGZPJMESA-N", "SMILES:C[C@H](O)CNc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXSAHNFCYFWKGJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NC2COC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBOECHABUPTSC-DNQXCXABSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(N[C@@H]2CC[C@H]2O)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSLZBUDTPJEEDQ-OAQYLSRUSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(N[C@@H]2CCOC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSLZBUDTPJEEDQ-NRFANRHFSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(N[C@H]2CCOC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAXSTRBEBOXIHN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NCC2(O)CCC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHLXCOZVEGHVOY-UHFFFAOYSA-N", "SMILES:CC(C)(O)C(C)(C)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSCNLMYYLSAROU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NC2(CCO)CC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOEOXSXJHPOICN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(N2CC(CO)C2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRFNSBRHGGWZEF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(N2CC(O)C2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIBHAVABRKIMJ-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEZCPOEFGGMOS-UHFFFAOYSA-N", "SMILES:CCNc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXKXNFZMGIWHV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NCCO)nc1N1CCC2(CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBYRKSRXANMAT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NC2(CO)CC2)nc1N1CCC2(CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HESVBUGODHEWHT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(N2CCC2)nc1N1CCC2(CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAJXNDHGNWDTAQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(N2CCOCC2)nc1N1CCC2(CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKXSQABCXKIQEL-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CCO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNQWSDRKXBQPBB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(OC2COC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJJORCTUGBMWTN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANBPKZWGQQXCW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCARIWRQYXZUIN-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3(C)CCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODYZURHDVDBREA-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C(C)(C)C)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMVQCJQCVTUFA-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C(C)(C)C(F)(F)F)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYKLCEUVWIAMTI-UHFFFAOYSA-N", "SMILES:CC(C)CS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQDLDIAUXLRSD-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATARLYQAWJJOQ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFKFUIQVIOXADJ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQDQPQACQSVMN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1S(=O)(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHHGJCKQVLORFB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CCC3)CC2)cc1S(=O)(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBODAZDVAIHWHZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC3(CO)CC3)nc2N2CCC3(CC2)CC3)cc1S(=O)(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJORTIERVCWJD-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3(CO)CC3)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDBBSVSDMGMTNL-UHFFFAOYSA-N", "SMILES:CC1(NS(=O)(=O)c2cccc(NC(=O)c3ccc(NC4(CO)CC4)nc3N3CCC4(CC3)CC4)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGWZOEHQFJJEAC-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3(C)CCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZMJRGANADFRK-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJAZQYULVDSTA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(NC2(CO)CC2)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTBBMUFCCPHPF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1S(=O)(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCFJVSYTNEVLP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGMWONVQNGZRFP-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLKPHUROIMFPK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWJJWIXXKCOHJP-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1S(=O)(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLEHGLLJRPXQCR-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cc(F)cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGIOHDJSWRFHRB-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOPGJKRXCQYMHQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJAGBRUFCBPTJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cc(Br)cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSXXTYRWXZEFY-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNIFZKVKNPLYHF-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNTGKFSUBQKRMF-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVJNBPCGAXHDKY-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPLPIPUCLKOTLO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1N1CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQOPGWWZSPXTIT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWLTQPCPXEXGC-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)ccc2F)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPQFPFRHMKVTN-LJQANCHMSA-N", "SMILES:C[C@@H]1CN(c2cc(F)cc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBUUIRNEPADRA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NC(CO)CO)nc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLFRPKGVTBUFJW-UHFFFAOYSA-N", "SMILES:CC1(NS(=O)(=O)c2cccc(NC(=O)c3ccc(NC(CO)CO)nc3N3CCC4(CC3)CC4)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKIRCKTZQNVIA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(CO)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPAWYVVTALSHOG-UHFFFAOYSA-N", "SMILES:CC(CO)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZUAHXMHOXTQQE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(CO)CO)nc2N2CCC3(CC2)CC3)cc1S(=O)(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWVBGNXDMSCGR-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(CO)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCUTMVHEIDXDW-UHFFFAOYSA-N", "SMILES:CC(CO)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYSLUAMPGEBDO-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQCWMVGHRQCWNN-UHFFFAOYSA-N", "SMILES:CC(O)(Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(N2CCC3(CC2)CC3)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPHXETIHWLTHIC-UHFFFAOYSA-N", "SMILES:CC(O)(Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYFMIMCJXIZMD-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(O)O)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXXBGRAJTQQZLH-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZVITDBMMDPEIH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1-c1ncco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOBLYTVCHNUXKK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1-c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBQRBSXYPGKGPL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTRDFHPUZHMON-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1-c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSXAPUYJJUKEW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1-c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQVVYCDFEBJMMZ-UHFFFAOYSA-N", "SMILES:Cc1coc(-c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMDDADZUPRRHFU-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHJZJVAEAODGEB-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGOPQJMZUZBGI-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHASVSYBXIZBOW-UHFFFAOYSA-N", "SMILES:Cn1ccnc1-c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKLBQLBEFFLJM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDHCLCFJWIJPV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUSOORKIYFJRW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COGZYADJXMWWAD-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2cc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)ccc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNFKRDPSIWHQX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc(-c2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKQYXJSDURCCS-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc(-c2ccoc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAYBGUJCFCHHW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRRHXPHUKMXGS-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWKMCBSGZMEYRO-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(CS(C)(=O)=O)nc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGVDYCTNAKDRT-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccncc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHVXSIMFWCVKEP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccncc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSLTIFKTMAJRS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccncc1N1CCC2(CC1)CC2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDMJTSXNNNMOH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccncc2N2CCC3(CC2)CC3)cc1S(=O)(=O)N1CCCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCMTDBFIUELHU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)c(S(=O)(=O)N2CCCC(F)(F)C2)c1)c1ccncc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMUHQPQXPOAFDN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC(F)(F)C2)c1)c1ccncc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVFRQNROLARURO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(S(=O)(=O)N2CCCC(F)(F)C2)c1)c1ccncc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEIGYJBELUCZPJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCC(F)(F)CC2)c1)c1ccncc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZUQEBGBISPDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCCC(F)(F)C2)c1)c1ccncc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1505003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZJGTLJERDOEQV-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1"]}
{"name": "Sulfhydryl oxidase 1", "xref": ["CHEMBL.TARGET:CHEMBL4523117"], "id": "UniProtKB:O00391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFDWLQROYYDPM-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATXHIJBSVRRQNF-UHFFFAOYSA-N", "SMILES:CCc1cc(N)c2ccc(OCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIHEWZKHHTTFR-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGOCXNHIILJKD-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCOC)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKWVYZQBRIKDX-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-c4cn(C5CCCC5)c5c(N)ncnc45)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBHNQOOMATRPD-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(Cl)c5c(N)ncnc54)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAMNTHXBYCILDT-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(CC5CC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHZYPKWTCPOYBQ-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(CCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFQJNQIMROBVAZ-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4c(C)cc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPZJJSVEYKLWMN-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNSMIXHZQZKXIM-UHFFFAOYSA-N", "SMILES:CCNc1ccc2ccc(OCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUDASBCCYGEHY-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTBYHUNPYHCSPF-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRNODJWGSOHNU-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(NCCN(C)C)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWCDYJKRWBIRME-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(C2CCC2)nc2cc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KABDGSHSKGXYMJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(N2CCNCC2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTLTXFWEGNXYHL-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(CCc4ccc5ccc(N6CCC6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGYPBJZTLRUCSX-UHFFFAOYSA-N", "SMILES:CCNc1ccc2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLOZWGRXWJXLGC-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CCOCC2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDOQUJXACXCNX-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(CCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJINURAZZCEQD-JOCHJYFZSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc([C@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJINURAZZCEQD-QFIPXVFZSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXFRQUITNWGIK-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCOC)c2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKYVCDDPAXHHE-UHFFFAOYSA-N", "SMILES:CCc1cc(N(C)CCOC)c2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYBMXXSCOQLGY-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CCNCC2)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSEWWRMKUOCLKZ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(C1CCCO1)cn2-c1cncc(CCc2ccc3ccc(N4CCC4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNPSENHSUHUQAK-UHFFFAOYSA-N", "SMILES:CCNc1ccc2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYYSEPOCTXMJJ-UHFFFAOYSA-N", "SMILES:CCc1cc(NC)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMAGOPYSSXERG-UHFFFAOYSA-N", "SMILES:CCc1cc(N(C)C2CC2)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPNBAREIIWDGT-UHFFFAOYSA-N", "SMILES:CCc1cc(N(C)CC2CC2)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKMXMTPDJCIDPF-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCOC)c2ncc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNODSVXHVZCKSE-DEOSSOPVSA-N", "SMILES:Nc1ncnc2c1c([C@@H]1CCCO1)cn2-c1cncc(COc2ccc3ccc(N4CCC4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRAOSBRGCXMORB-UHFFFAOYSA-N", "SMILES:COCCn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CCC6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTODHCPNODZQJI-UHFFFAOYSA-N", "SMILES:CCc1cc(N(C)CCN(C)C)c2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMCRKBJNMBBCS-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCN(C)C)c2c(F)cc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYMNZJRRZDRGE-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(-c5ccc(C)o5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZGGOHKAGTANZ-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(-c5ccc(CNCCS(C)(=O)=O)o5)c5c(N)ncnc54)c3)cc2n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWIIREOFJZJGJV-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3nnc(-n4cc(Cl)c5c(N)ncnc54)s3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIERSVJQEGSVFW-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CCOCC6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWITMIYHJYMLM-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(C[S+]([O-])c4ccc5ccc(N6CCC6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLQSJPUUCLBDN-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(C5CCC(F)(F)CC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCXXBAJAYAMAN-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(CO)cc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSCBJLILFITEKB-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCOC)c2ccc(OCc3cncc(-c4c[nH]c5c(N)ncnc45)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJEATMPYKZLDHR-UHFFFAOYSA-N", "SMILES:CCc1nc(N)c2ccn(-c3cncc(COc4ccc5ccc(NC)nc5c4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTQHXMZPWGUJJ-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHYBCSMFDJLAJA-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(CO)cc(-c4c[nH]c5c(N)ncnc45)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZUBBBUHVLEJDI-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(N)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZWLEZITFFOZGZ-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(-n4cc(Cl)c5c(N)ncnc54)cnc3NC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTHNLIMARKGTNQ-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCN(C)C)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFCVIQBXJCXLU-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(C)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBATKCDODVAOR-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3nc(-n4ccc5c(N)ncnc54)cs3)cc2n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFADFZWDGZRDFS-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(C(N)=O)cc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJERMHCPUYLUJL-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(COc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQMBJOIFCUKSTM-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-c4c(C)[nH]c5c(N)ncnc45)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XREAUDBRPOIBBY-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ccn2-c1cncc(COc2ccc3ccc(N4CCCC4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQSZNZYQZFMEE-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(CCN(C)C)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIRIFJLILVLIAR-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(-n4cc(Cl)c5c(N)ncnc54)cnc3N)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGTVOVAFDKBLGK-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cccc(-n4cc(CCN(C)C)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIZCZIRNLHRAX-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(C5CCN(C)CC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQPUMSNAGYDHC-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(CO)cc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZCIDBCHRWUPK-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(-c5ccnn5C)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHSFGJDCHXWQY-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3nc(-n4cc(Cl)c5c(N)ncnc54)cs3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFXYIAURJHTNC-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc2ccc(OCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAWUXVIFHOACF-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(Cl)cn2-c1cncc(COc2ccc3ccc(N4CCCC4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIPSSIUYJCBMGS-UHFFFAOYSA-N", "SMILES:Cc1cc(NCCN(C)C)c2ccc(OCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBLCUWTGKXYPW-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cccc(-n4cc(Br)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBMOSCRPIZEELM-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4ccc5c(C)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXNONFWBMSEDD-UHFFFAOYSA-N", "SMILES:CCc1cc(N)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFLGTLPLYHWIS-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(Cl)cn2-c1cncc(COc2ccc3ccc(N4CCC4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCLLJOJMWJEKD-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-c4c[nH]c5c(N)ncnc45)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPXXLJFCFMXWPL-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZRNSSBFLDPZKX-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(CCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQXVNRWUPEOEJ-UHFFFAOYSA-N", "SMILES:CCc1cc(N)c2ccc(OCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMPUNYUTNUCFTA-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2ccc(OCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKUKXFAGRAJGJO-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ccn2-c1csc(COc2ccc3ccc(N4CCCC4)nc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAZEYAYMLPUNQ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(Cl)cn2-c1cncc(COc2ccc3ccc(NCC4CC4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZODTOFPCSWPLK-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4ccc5c(N)nc(N)nc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPFZJDZLRUXPRL-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(C5CCCC5)c5cncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAFPBPSZRFSIS-UHFFFAOYSA-N", "SMILES:CCNc1ccc2ccc(OCc3cccc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBKOYNPJXZTLL-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2ccc(OCc3cccc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGGAZLJLBNKFA-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2ccc(OCc3cccc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSACVVSFQDOBLX-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(Cl)cn2-c1cccc(COc2ccc3ccc(NCC4CC4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSGMAXZVJKEZCU-UHFFFAOYSA-N", "SMILES:CCc1ncc(-n2cc(Cl)c3c(N)ncnc32)cc1COc1ccc2ccc(NC)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFKHDHVAIOAIEN-UHFFFAOYSA-N", "SMILES:CNc1ccc2cc(CCc3cccc(-n4cc(Cl)c5c(N)ncnc54)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJRTWLANOHCWDL-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cccc(-c4c[nH]c5c(N)ncnc45)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UADZMUKUUKCSKN-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(CNc3cccc(-n4cc(Br)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWTKGGYKSMRESV-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cccc(-n4cc(C5CC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HINCXKPXAGLVTI-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(Br)cc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPYPHTHNRGIJOB-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(F)cc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORVYWLXKBFQKG-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cccc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFWHBYFBVMYYDN-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cccc(-n4cc(CC5CC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWNQONNDJFRSNM-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(-n4cc(Cl)c5c(N)ncnc54)ccc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZVJFQCITKMFKY-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(O)cc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVRAQYNBQGZQG-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(OC)cc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIYKFWSYLTAGK-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cccc(-n4cc(Cl)c5c(N)ncnc54)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUUKKOMBNNQMHH-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3ccnc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDDUXAJAJSCSBZ-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cccc(-n4cc(C5CCCC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCXGDXDGUDZLW-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cccc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBAKJFFGXQJAD-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCN(C)C)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVAZUMTWLJXLHI-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(N)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINKXBIZCVHLTO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(N)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMZFSALPAUPCKK-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(C1CCCC1)cn2-c1cncc(COc2ccc3ccc(N4CCC4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIZYSBMDZGIPHF-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1cn(-c2cncc(COc3ccc4ccc(NC)nc4c3)c2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJINURAZZCEQD-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(C5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCGLNUOZIWOOQ-UHFFFAOYSA-N", "SMILES:Cc1cc(NCCN(C)CCCc2ccccc2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHISLEJQPXQUTD-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(N2CCC2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYKOQGKZHMQLJI-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(N)c2ccc(OCc3cncc(-c4c[nH]c5c(N)ncnc45)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGXUPCDIGAJPU-UHFFFAOYSA-N", "SMILES:Cc1cc(NCCN(C)CCCCc2ccccc2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFRBNEMCXFQJPI-UHFFFAOYSA-N", "SMILES:Cc1cc(NCCN(C)CCCCCc2ccccc2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCIJPQWGHJDJGD-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)c2ccc(OCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEAPQFSBWVZEPA-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CCN(C)CC2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHIWBAQCEKDZDE-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CCCC2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTSBYWEAFQCPV-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(CCc4ccc5ccc(N)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYBOVHMAPNSKTA-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(CCc3cncc(-n4cc(F)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNWYCRJUQDTTBH-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CCC(F)(F)CC2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGAGXNBFXHTCJY-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cc(C#N)cc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQGNWSRGBCVPH-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(C(C)C5CC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMAFGMURQMISC-UHFFFAOYSA-N", "SMILES:CCc1cc(NC)c2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWFFUNJVTLONBV-LJQANCHMSA-N", "SMILES:C[C@@H]1CCN1c1ccc2ccc(OCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWFFUNJVTLONBV-IBGZPJMESA-N", "SMILES:C[C@H]1CCN1c1ccc2ccc(OCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXBGZYJDNRWCPJ-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCCN(C)C)c2ccc(CCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFALSAOZMPRVJQ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(N)c2ccc(CCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFWYUKBDIESMU-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(N)c2ccc(CCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTGQDCNOESYZRH-UHFFFAOYSA-N", "SMILES:CCCc1cc(N)c2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPSBFNGMXLOWBT-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCOC)c2ncc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHMIBNLQVZJHS-HHHXNRCGSA-N", "SMILES:CCc1cc(NCCOC)c2ccc(OCc3cncc(-n4cc([C@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKSNNHCANUUEIO-HSZRJFAPSA-N", "SMILES:CCNc1ccc2ccc(OCc3cncc(-n4cc([C@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAQCRKQFQBEIS-JOCHJYFZSA-N", "SMILES:CCNc1ccc2ccc(CCc3cncc(-n4cc([C@H]5CCCO5)c5c(N)ncnc54)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAQCRKQFQBEIS-QFIPXVFZSA-N", "SMILES:CCNc1ccc2ccc(CCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHMIBNLQVZJHS-MHZLTWQESA-N", "SMILES:CCc1cc(NCCOC)c2ccc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWGFDMDUSPFOQ-MUUNZHRXSA-N", "SMILES:CCc1cc(N2CCOCC2)c2ccc(OCc3cncc(-n4cc([C@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWGFDMDUSPFOQ-NDEPHWFRSA-N", "SMILES:CCc1cc(N2CCOCC2)c2ccc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNODSVXHVZCKSE-XMMPIXPASA-N", "SMILES:Nc1ncnc2c1c([C@H]1CCCO1)cn2-c1cncc(COc2ccc3ccc(N4CCC4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKSNNHCANUUEIO-QHCPKHFHSA-N", "SMILES:CCNc1ccc2ccc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTIEXVGOWXZJC-UHFFFAOYSA-N", "SMILES:CCc1cc(N(C)C)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBOZBAICMRCQS-MUUNZHRXSA-N", "SMILES:CCc1cc(N2CCNCC2)c2ccc(OCc3cncc(-n4cc([C@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBOZBAICMRCQS-NDEPHWFRSA-N", "SMILES:CCc1cc(N2CCNCC2)c2ccc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTRDWZAIPZCELG-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CCOCC2)c2ncc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRXFKBRRASZNPA-RUZDIDTESA-N", "SMILES:CCc1cc(NCCOC)c2ncc(OCc3cncc(-n4cc([C@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRXFKBRRASZNPA-VWLOTQADSA-N", "SMILES:CCc1cc(NCCOC)c2ncc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLWDDXHKJKFVDO-UHFFFAOYSA-N", "SMILES:CCc1cc(NC)c2ccc(OCc3cncc(-n4cc(-c5ccn(CCOC)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTGIDHNONGHJIO-XMMPIXPASA-N", "SMILES:CCNc1ccc2ccc(CCc3cncc(-n4cc([C@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTGIDHNONGHJIO-DEOSSOPVSA-N", "SMILES:CCNc1ccc2ccc(CCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDNQXFVJUWOLP-GDLZYMKVSA-N", "SMILES:CCc1cc(NCCN(C)C)c2ccc(CCc3cncc(-n4cc([C@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDNQXFVJUWOLP-LJAQVGFWSA-N", "SMILES:CCc1cc(NCCN(C)C)c2ccc(CCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLQYLIGLHZYHNM-JOCHJYFZSA-N", "SMILES:Nc1ncnc2c1c([C@H]1CCCO1)cn2-c1cncc(COc2ccc3ccc(N4CCC4)nc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLQYLIGLHZYHNM-QFIPXVFZSA-N", "SMILES:Nc1ncnc2c1c([C@@H]1CCCO1)cn2-c1cncc(COc2ccc3ccc(N4CCC4)nc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVVLSFBFGURIN-DEOSSOPVSA-N", "SMILES:CCc1cc(OC)c2ccc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOHZWUXMQHJOF-AREMUKBSSA-N", "SMILES:CCc1cc(NCCOC)c2c(F)cc(OCc3cncc(-n4cc([C@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOHZWUXMQHJOF-SANMLTNESA-N", "SMILES:CCc1cc(NCCOC)c2c(F)cc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNJNYYZEUWVSR-SANMLTNESA-N", "SMILES:CCc1cc(NC(C)=O)c2ccc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVFITJZNBKSDEM-QHCPKHFHSA-N", "SMILES:Nc1cc(OCc2cncc(-n3cc([C@@H]4CCCO4)c4c(N)ncnc43)c2)ccc1C(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYLWXFBRUPUMCB-NDEPHWFRSA-N", "SMILES:CCc1cc(N(C)C2CC2)c2ccc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEESZGASANQVJE-VWLOTQADSA-N", "SMILES:CCc1cc(C)c2ccc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHARXRRWIJJDNO-UHFFFAOYSA-N", "SMILES:CN(CCO)c1ccc2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FONMLCSKUKTWFE-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCCN(C)C)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJYAYLKFSPOHAE-UHFFFAOYSA-N", "SMILES:C[S+]([O-])c1cn(-c2cncc(COc3ccc4ccc(N5CCC5)nc4c3)c2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSXHTVXODLFSEJ-SANMLTNESA-N", "SMILES:CCc1cc(N(C)C2CC2)c2ccc(OCc3cncc(-n4cc([C@@H]5CCCO5)c5c(N)ncnc54)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVGLLIWOQNUKE-UHFFFAOYSA-N", "SMILES:CN(CCS(C)(=O)=O)c1ccc2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWQLQMUIHWXRG-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc(C(=O)N5CCNCC5)c(N)c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOPAQONKMHHBZ-UHFFFAOYSA-N", "SMILES:CCc1ccc2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGYGZKLHLFLNQ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(CO)cn2-c1cncc(COc2ccc3ccc(N4CCC4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXHORJPSPLSFF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cn(-c2cncc(COc3ccc4ccc(N5CCC5)nc4c3)c2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COAKIRKUUOAILC-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc(C(=O)NC5CCOCC5)c(N)c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZDVDJUAHRWFGW-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(C6CCOCC6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALZQXWJRNGZQP-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c(-c3cncc(COc4ccc5ccc(N6CCC6)nc5c4)c3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHUBPWRQYCIBT-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CC(F)C6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQTQHKWLNDLEIK-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CC(O)C6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGDRHBIDGCBVOZ-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CC7(CCC7)C6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRNMYLYYQKIFC-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CCC(F)(F)CC6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARNZQTLITYZMDT-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc(CN5CCC(CO)CC5)c(N)c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NURDCSHRXGLAJI-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CC7(COC7)C6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXZYEUZJUAEDIC-UHFFFAOYSA-N", "SMILES:CC(=O)NC1CN(c2ccc3ccc(OCc4cncc(-n5cc(-c6ccn(C)n6)c6c(N)ncnc65)c4)cc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSRXAZKMVWKYJK-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CC7(CC7)C6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOKCBNHIFLLPDL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3ccc(OCc4cncc(-n5cc(-c6ccn(C)n6)c6c(N)ncnc65)c4)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEYQOQRYLIXYFK-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CC(CO)(CO)C6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZZAXLICTPDTQM-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4cc(F)c5ccc(N6CCC6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNTQRBYDHNFTOF-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc(CN5CCOCC5)c(N)c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDYJDVAFCKGHRY-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CC(F)(F)C6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNQKIXZGPPOWLK-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CC(N)C6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPBCTYGHWWLOD-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CC(=O)C6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKWHEPPIMFDIGL-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(-c3cncc(CSc4ccc5ccc(N6CCC6)nc5c4)c3)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZPJJNUPLIAKR-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cccc(-n4ccc5c(N)ncnc54)c3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQEQVLMVVLPCJY-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCOC)c2c(F)cc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSBBYCWUYSUML-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCOC)c2c(F)cc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEWVTOGUUTWXLQ-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCN(C)C)c2c(F)cc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFRBZPXSFXZWJH-UHFFFAOYSA-N", "SMILES:CCc1cc(NCCOC)c2c(F)cc(OCc3cncc(-n4cc(COC)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQOVUSOIJWEKA-UHFFFAOYSA-N", "SMILES:CCc1cc(N(C)C)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQVRSYKGPNTKP-UHFFFAOYSA-N", "SMILES:CNc1cc(CCCN2CCOCC2)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHPKEBDSYOBPL-UHFFFAOYSA-N", "SMILES:CNc1ccc2ccc(OCc3cncc(-n4cc(-c5ncco5)c5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMYFODRCTJVBOL-UHFFFAOYSA-N", "SMILES:COCc1cn(-c2cncc(COc3ccc4ccc(N5CCC5)nc4c3)c2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCVCKYWMDNAGF-UHFFFAOYSA-N", "SMILES:CC(=O)c1cn(-c2cncc(COc3ccc4ccc(N5CCC5)nc4c3)c2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOBRSDKLXWBNLY-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cn(-c3cncc(COc4ccc5ccc(N6CCC6)nc5c4)c3)c3ncnc(N)c23)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CULISYIPQNNVJF-UHFFFAOYSA-N", "SMILES:Nc1ccc2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEOFIOMENVMPNF-HAQNSBGRSA-N", "SMILES:NC(=O)CNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONKQWEKXLJXNFX-IILDZGFYSA-N", "SMILES:O=C1NCCC1NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDOZBPAEQOJZFP-RRNIMWOJSA-N", "SMILES:NCC(O)CNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJAPNVPTVLIRPX-HDJSIYSDSA-N", "SMILES:NCCCNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVHSZQDNMJWGE-STZBCSTISA-N", "SMILES:O=C(NC1CC(O)C1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSCDLLAVIRZWGG-SHTZXODSSA-N", "SMILES:O=C(NC1(CO)CCC1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRJOGZOMMZLXSF-FDTIFPJHSA-N", "SMILES:CN1CCC(NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFRMEMDKFFZHT-JOCQHMNTSA-N", "SMILES:O=C(NC(CO)CO)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEVQOQOJKPDTLT-RCWADLFESA-N", "SMILES:CNC(=O)C(C)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULGIUVYLTABSOP-JOCQHMNTSA-N", "SMILES:CC(C)(NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDEIJBKHWZFPNZ-RCWADLFESA-N", "SMILES:CC(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONVYWKZPPGFGOA-YDRRXPLNSA-N", "SMILES:CC(CO)CNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDFHFXHZQDIBDG-LDBIXWDDSA-N", "SMILES:C[C@H](O)[C@@H](CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWKUDSSRCGPUOL-HDJSIYSDSA-N", "SMILES:Cc1cc(NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDNFBOWPLBXOMY-CKEIUWERSA-N", "SMILES:O=C(N[C@@H]1CCOC1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFBIVETWMCIKSX-FDTIFPJHSA-N", "SMILES:O=C1NCCCC1NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALNAFWGKUZBHT-IILDZGFYSA-N", "SMILES:O=C1CCC(NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDEIJBKHWZFPNZ-UBHSHLNASA-N", "SMILES:C[C@@H](CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVPDTMIAKQIBT-RAIGVLPGSA-N", "SMILES:C[C@@H](NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXQQHRLGHDCRT-HDJSIYSDSA-N", "SMILES:CC(C)(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYRCFQLSIHZSG-LCFGVNGGSA-N", "SMILES:NC(=O)C(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFPAQZNDGCUTIR-HAQNSBGRSA-N", "SMILES:O=C(NCC(F)(F)F)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCCLDQALDOGAX-SHTZXODSSA-N", "SMILES:O=C(NCCn1cncn1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INSFUTQCQWQAOX-HDJSIYSDSA-N", "SMILES:CS(=O)(=O)CCNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONKQWEKXLJXNFX-SNUQEOBHSA-N", "SMILES:O=C1NCC[C@H]1NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKGRBJRVBANPGT-JOCQHMNTSA-N", "SMILES:O=C(NCCO)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMIGGNRKJNZBN-HDJSIYSDSA-N", "SMILES:O=C(NC1(CO)CC1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNIWUYZWNOCLQV-SHTZXODSSA-N", "SMILES:Cn1cnc(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQWLJBAEXQLAM-JOCQHMNTSA-N", "SMILES:CN(CC(N)=O)C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVVVNBNTEOYUJI-SHTZXODSSA-N", "SMILES:O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N(CCO)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJXVJNLYDLPKW-SHTZXODSSA-N", "SMILES:COCC1(NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGZQIPGBAFNIJ-JOCQHMNTSA-N", "SMILES:NC(=O)C1(NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFTFQCHLUWIFIT-SHTZXODSSA-N", "SMILES:CN(C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C1(CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQNXJXQRBQPUFC-SHTZXODSSA-N", "SMILES:O=C(NC1(CCO)CC1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTMGGBLIBZSJC-SHTZXODSSA-N", "SMILES:CN(C)C(=O)CN(C)C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLBKJAEEOZHQQ-QEJZJMRPSA-N", "SMILES:C[C@H](NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVPDTMIAKQIBT-ORBXIRMBSA-N", "SMILES:CC(NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPUPXRQFUMGHW-SHTZXODSSA-N", "SMILES:Cn1ccc(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOFUQYPZBWALW-HDJSIYSDSA-N", "SMILES:CC1(O)CN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXUPXWUAFMTOBM-QBIRGWOPSA-N", "SMILES:CC(NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)c1ccn(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUSJGYVJHIICSF-RRNIMWOJSA-N", "SMILES:O=C(NC(CO)CF)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKNIXUSMBEPHF-HDJSIYSDSA-N", "SMILES:CN(CCO)C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYDGUCZNLDDOH-HDJSIYSDSA-N", "SMILES:O=C(NCc1ccn[nH]1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCQLKWMVGSFGP-UBHSHLNASA-N", "SMILES:C[C@H](O)CNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGROCLUOFOJEG-UHFFFAOYSA-N", "SMILES:O=C(OC1CN(C(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXRXENPQDCIJJ-HDJSIYSDSA-N", "SMILES:O=C(NCCCO)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIANFOFBZWAIOB-FDTIFPJHSA-N", "SMILES:O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCOC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJDZCINUKGIVPW-SHTZXODSSA-N", "SMILES:CCN(CCO)C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXPTVLZOACKNL-SHTZXODSSA-N", "SMILES:O=C(NCCOCCO)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBHWZMHUUPZGLY-QBIRGWOPSA-N", "SMILES:CC(O)CN(CCO)C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRSZJTNWOMQVCE-ZQIUZPCESA-N", "SMILES:O=C1CC[C@H](NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHBBRMRCGDZVLM-BPLDGKMQSA-N", "SMILES:C[C@H](CO)N(C)C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYRCFQLSIHZSG-PRXAMGSTSA-N", "SMILES:NC(=O)[C@H](CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHZJISAECMTTK-IIDMSEBBSA-N", "SMILES:O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCC[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRXZBIMQUOJCST-PJIJBLCYSA-N", "SMILES:NC(=O)[C@H]1CCCN1C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONKQWEKXLJXNFX-LXIYXOSZSA-N", "SMILES:O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXQTPQUAUDWME-PRXAMGSTSA-N", "SMILES:O=C(N[C@@H](CO)C(F)(F)F)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXQTPQUAUDWME-PSTGCABASA-N", "SMILES:O=C(N[C@H](CO)C(F)(F)F)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTHXJPLCKPVAA-PRXAMGSTSA-N", "SMILES:O=C1C[C@H](NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTHXJPLCKPVAA-PSTGCABASA-N", "SMILES:O=C1C[C@@H](NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCQLKWMVGSFGP-RCWADLFESA-N", "SMILES:CC(O)CNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSAYASZUGBTXNW-SHTZXODSSA-N", "SMILES:O=C(NCc1cnoc1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETRCLWLOLEMNN-XYPYZODXSA-N", "SMILES:NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGLGJTUIBDEPBM-JOCQHMNTSA-N", "SMILES:O=C(NCc1nnco1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQUHUKQJEQNRAG-HDJSIYSDSA-N", "SMILES:Cc1nnc(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVSYCSAICZFPOQ-HDJSIYSDSA-N", "SMILES:Cc1noc(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCQLKWMVGSFGP-MRVWCRGKSA-N", "SMILES:C[C@@H](O)CNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVWAOUCWDVWMW-PRXAMGSTSA-N", "SMILES:O=C(NC[C@H](O)C(F)(F)F)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVWAOUCWDVWMW-PSTGCABASA-N", "SMILES:O=C(NC[C@@H](O)C(F)(F)F)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUVJKBVILLACPS-BIPCEHGGSA-N", "SMILES:O=C(N[C@H]1CC[C@H]1O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZAFNVSIZLBLS-HDJSIYSDSA-N", "SMILES:O=C(NCC1(O)CC1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQUIIKEEXIONO-FEBSWUBLSA-N", "SMILES:O=C(N[C@H]1CCC[C@@H]1O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKXISBSWSVPBTM-HDJSIYSDSA-N", "SMILES:O=C(NCC1(O)COC1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMKZLQIPSSCMJ-HDJSIYSDSA-N", "SMILES:CC(CO)(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWMTJHERQUHKB-LXIYXOSZSA-N", "SMILES:O=C1OCC[C@@H]1NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBCDZYCOMHXNS-WJKUNYMBSA-N", "SMILES:CC(C#N)(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHPKQGABHHHVGC-IIDMSEBBSA-N", "SMILES:O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCC[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHBBRMRCGDZVLM-YDRRXPLNSA-N", "SMILES:CC(CO)N(C)C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIHMZTOKUXDAOU-DAKYUXDSSA-N", "SMILES:O=C(NC1(CO)CCOC1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOOOXNDGNMTRW-CKEIUWERSA-N", "SMILES:O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CC[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBZBFZNBLRDFQG-KDMJMNFUSA-N", "SMILES:C#CC(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMZFJIBJCJRDFY-BEIIYIPTSA-N", "SMILES:CC1(NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBEWYQFRLHZTQQ-HDJSIYSDSA-N", "SMILES:Cn1ncc(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHCCKXNYMYVGX-LEWLWEGZSA-N", "SMILES:O=C(NC(CO)C1CC1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJPMADCYFVWSU-RRNIMWOJSA-N", "SMILES:N#CC(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUQKVGHFPMDHOP-HDJSIYSDSA-N", "SMILES:O=C(NC1(CO)CC(F)(F)C1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMHDYGSHBWBINF-KDMJMNFUSA-N", "SMILES:CCC(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMHDYGSHBWBINF-ZQIUZPCESA-N", "SMILES:CC[C@@H](CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOOOXNDGNMTRW-ZQIUZPCESA-N", "SMILES:O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CC[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOKHZSJOGXCJD-GQZBANDASA-N", "SMILES:C[C@]1(NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFSLEKYEZFJSCZ-DAKYUXDSSA-N", "SMILES:CC1(CO)CCN1C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPSIIGGXBHHAW-MPGHIAIKSA-N", "SMILES:O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCOC[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYRCFQLSIHZSG-PSTGCABASA-N", "SMILES:NC(=O)[C@@H](CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKXLKMZQPDSAV-HDJSIYSDSA-N", "SMILES:O=C(NC(CO)(CO)CO)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCRMZGCTUIIHD-WEGSKQERSA-N", "SMILES:O=C1NC[C@@H](O)[C@@H]1NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCPNFIBOSFYHT-PRXAMGSTSA-N", "SMILES:O=C(N[C@@H](CO)C(F)F)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKGRBJRVBANPGT-BETUJISGSA-N", "SMILES:O=C(NCCO)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWYAFJYUKEDAQ-TXEJJXNPSA-N", "SMILES:O=C(NCC(F)F)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSCDLLAVIRZWGG-GASCZTMLSA-N", "SMILES:O=C(NC1(CO)CCC1)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMKZLQIPSSCMJ-OKILXGFUSA-N", "SMILES:CC(CO)(CO)NC(=O)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXQQHRLGHDCRT-OKILXGFUSA-N", "SMILES:CC(C)(CO)NC(=O)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFPAQZNDGCUTIR-TXEJJXNPSA-N", "SMILES:O=C(NCC(F)(F)F)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMJOQYOQJMJOH-CALCHBBNSA-N", "SMILES:Cc1ccn(CCNC(=O)[C@H]2C[C@@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDEIJBKHWZFPNZ-FPMFFAJLSA-N", "SMILES:C[C@@H](CO)NC(=O)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKXLKMZQPDSAV-OKILXGFUSA-N", "SMILES:O=C(NC(CO)(CO)CO)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCPNFIBOSFYHT-JKDFXYPNSA-N", "SMILES:O=C(N[C@@H](CO)C(F)F)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETRCLWLOLEMNN-UHFFFAOYSA-N", "SMILES:NC(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHAOWNOBTYBPZ-UHFFFAOYSA-N", "SMILES:O=C(NCCO)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(C(F)(F)F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJKOZAPKZUWBCX-UHFFFAOYSA-N", "SMILES:NC(=O)CNC(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(C(F)(F)F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVKOGVRQDBHKNF-UHFFFAOYSA-N", "SMILES:CC1(C(=O)NC2(CO)CC2)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLXYNLLTCKKEW-UHFFFAOYSA-N", "SMILES:Cn1cnc(CNC(=O)C2(C)CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGIFBMYIRDCQP-UHFFFAOYSA-N", "SMILES:CC1(C(=O)NCCO)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWDVUPWLFXRLTK-GTZBEXRYSA-N", "SMILES:CC1(C(=O)N[C@H]2CCNC2=O)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOLDMISWKAGSM-UHFFFAOYSA-N", "SMILES:O=C(NC1(CO)CC1)C1(F)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOODYBWLLHJMX-UHFFFAOYSA-N", "SMILES:Cn1cnc(CNC(=O)C2(F)CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVZGHZYDCUYYQB-NNUKFRKNSA-N", "SMILES:O=C(CN[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)NCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURLQMPKMOQYEV-NNUKFRKNSA-N", "SMILES:CNC(=O)CN[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCSVBYRSZPMGI-RBOXIYTFSA-N", "SMILES:C[C@@H](CO)NC(=O)N[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQVFIXWIESHQMO-UHFFFAOYSA-N", "SMILES:O=C(NCCO)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYSNRTKSNFKSFS-SAZUREKKSA-N", "SMILES:O=C(NC(CO)(CO)CO)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYOBDGALJTOLJ-NNUKFRKNSA-N", "SMILES:O=C(NCCO)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHPHCZZLXXBRPG-YEORSEQZSA-N", "SMILES:O=C(NCC(F)F)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVXSANJMTVJTHE-SAZUREKKSA-N", "SMILES:CC(C)(CO)NC(=O)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXKVTUXDWFTMPT-SAZUREKKSA-N", "SMILES:O=C(NCc1cnco1)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUSJBMMBBNGFI-AXAPSJFSSA-N", "SMILES:C[C@H](CO)NC(=O)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJKBXJEKFEEKP-YEORSEQZSA-N", "SMILES:NC(=O)CNC(=O)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUSJBMMBBNGFI-SEXOOFBPSA-N", "SMILES:CC(CO)NC(=O)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUSJBMMBBNGFI-RBOXIYTFSA-N", "SMILES:C[C@@H](CO)NC(=O)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNLZPWJCRNINM-YGUOUDRMSA-N", "SMILES:O=C(NC1CC1)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXNANBAMTBVJMC-CDHAZOANSA-N", "SMILES:O=C(N[C@@H]1CCNC1=O)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMGBFDQYVJIIB-QUTHESELSA-N", "SMILES:COCC(C)NC(=O)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVWWOSTKXQOAY-AULYBMBSSA-N", "SMILES:CNC(=O)NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFXFXHTZZXZSW-UHFFFAOYSA-N", "SMILES:NC(=O)CNCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXDSGYFUHKGNKE-HLIUYOAVSA-N", "SMILES:C[C@H](NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGIZXQGAHKANM-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CNCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZMORBPPDHERPH-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRRRVNZYGKTFH-UHFFFAOYSA-N", "SMILES:NC(=O)C(CO)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFXFXHTZZXZSW-AULYBMBSSA-N", "SMILES:NC(=O)CNC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYWPKRNNBIVFHP-MQMHXKEQSA-N", "SMILES:CNC(=O)CNC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFXFXHTZZXZSW-BJHJDKERSA-N", "SMILES:NC(=O)CNC[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFQJMMDLMALOC-MQMHXKEQSA-N", "SMILES:O=C(CNC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)NCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTBZEQXCVGVCC-CTYIDZIISA-N", "SMILES:O=C(CNC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNHDVSNQDPDCEA-CTYIDZIISA-N", "SMILES:CON(C)C(=O)CNC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJLVUOWOXOVJND-UHFFFAOYSA-N", "SMILES:O=C(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NC1(CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPHWKJWQVGTPI-UHFFFAOYSA-N", "SMILES:NC(=O)CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JADLZELIYRZHMM-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTONQJWVYJZFD-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)F)N1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDBRYBEDWYRCU-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2cc(OCc3ccc(C(F)(F)F)nc3C)cc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTLWVOKYXYIQQG-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1COc1cc(C)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYUGLYUHWFFAS-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1csc2cc(OCc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGBVTAWYVCAYAY-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2cc(OCc3ccc(Cl)cc3Cl)cc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUVZUSGYJRTAKF-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2ccc(Cl)cc2Cl)cc2scc(CC(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHPCGPFGNXFFQB-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2cc(C)c3c(CC(=O)O)csc3c2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQUOISDYOUKCH-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1csc2cc(OCc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSXZXZPQDUWZMP-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1csc2cc(OCc3ccc(C)nc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZLDPVJSXLTKP-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc3c(CC(=O)O)csc3c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRWASOZDYYMAFQ-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2cc(OCc3cc(C)nn3C)cc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNMQJXGAWIKGFG-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2cc(OCc3cc(C(F)(F)F)nn3C)cc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTMHPEZDLJKKEO-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cc(C(F)(F)F)nn2C)cc2scc(CC(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPFBFOGCKZFKV-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2cc(OCc3ccc(C)nc3C)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARRIZGIJXJGZRJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2cc(Cl)c3c(CC(=O)O)csc3c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHITKDKQQNYNN-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2cc(OCc3ccc(C(F)(F)F)nc3C)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXAAPJMGWLXOIL-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1COc1cc(Cl)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AILCBJSMGPDTGK-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1csc2cc(OCc3cc(C(F)(F)F)nn3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLFNEWNNNTXBKJ-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1COc1ccc2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCNTXKBOKNMKI-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2cc(OCc3cc(C(F)(F)F)nn3C)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTXMQLTCJZSJE-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1COc1cc(Cl)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBQPJUIIJLJLHY-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2c(C)c(OCc3ccc(C(F)(F)F)nc3C)cc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKKHPNYZPCOJF-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1COc1cc(C)c2c(CC(=O)O)csc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJVPKLXQXOGSJJ-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2cc(OCc3cc(C)nn3C)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUUWRFLMCCUZEX-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2cc(Cl)c3c(CC(=O)O)csc3c2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUIPIJAZLVUZMZ-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2c(Cl)c(OCc3cc(C(F)(F)F)nn3C)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWKEFBZSBMMCZ-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1COc1cc(Cl)c2c(CC(=O)O)csc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMHUWNDVCBLROJ-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2c(Cl)c(OCc3ccc(C(F)(F)F)nc3C)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTXWBGNKYQLPE-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1COc1cc(Cl)c2c(CC(=O)O)csc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRHCQUDCGFBIMI-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2cc(C(F)(F)F)c3c(CC(=O)O)csc3c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCZMWHDNTONIAU-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1COc1cc(C(F)(F)F)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYLPBYNUUSBGKB-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2c(F)c(OCc3cc(C(F)(F)F)nn3C)cc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEQVWBCKVDGCD-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cc(C(F)(F)F)nn2C)c(F)c2scc(CC(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCMOHYLQIHNWLV-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2c(F)c(OCc3ccc(C(F)(F)F)nc3C)cc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYIRGAOXFCACDW-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1COc1cc(C)c2c(CC(=O)O)csc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWKDGXOPWATKB-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2c(F)c(OCc3cc(C(F)(F)F)nn3C)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIATEVHZRUFAG-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1COc1cc(Cl)c2c(CC(=O)O)csc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDHHCSLPHBGSU-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2c(F)c(OCc3ccc(C(F)(F)F)nc3C)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WONJBKJGEDFJMO-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1COc1cc(Cl)c2c(CC(=O)O)csc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSJNBMHKIJWFP-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1coc2c(Cl)c(OCc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFOHXESIVSCGFY-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1coc2c(C)c(OCc3ccc(C)nc3C)cc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFRWRJGSTBQQHW-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2cc(C)c3c(CC(=O)O)coc3c2C)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NODXZMWISQGJKZ-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1coc2c(C)c(OCc3ccc(Cl)cc3Cl)cc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTKEOBVODWZQG-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccc(Cl)cc2Cl)cc(C)c2c(CC(=O)O)coc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXCGMCLLTVVSA-UHFFFAOYSA-N", "SMILES:O=C(O)CC1CSc2cc(OCc3ccc(Cl)cc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYEPKHXLPAABJM-UHFFFAOYSA-N", "SMILES:O=C(O)CC1CS(=O)(=O)c2cc(OCc3ccc(Cl)cc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKPBJBOGKXJIKA-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNC(=O)Cc1csc2cc(OCc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNWSMINMMDJKM-UHFFFAOYSA-N", "SMILES:COC(=O)C(CO)NC(=O)Cc1csc2cc(OCc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKPVJDUMISHPN-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)Cc1csc2cc(OCc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZEGMDXRKKXCJT-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc2cc(OCc3ccc(Cl)cc3Cl)ccc12)NC(CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDUYOGBFRFVCLD-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1csc2cc(SCc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUNZNIMZIBWAX-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1csc2cc(S(=O)(=O)Cc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYIKDTRKXKWOEW-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1csc2cc([S+]([O-])Cc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCZWCURLKSLKB-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1COc1ccc2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCABOQHXRWPDKH-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ncc1COc1ccc2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGCXSZVTDOKPG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NC(=O)Cc1csc2cc(OCc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMDDFQQZRLMQIK-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ncc1COc1cc(C)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNLRIFPNRXTNEH-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2ccc3c(CC(=O)O)csc3c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNPIIULHCGXMY-QPJJXVBHSA-N", "SMILES:Cc1ccc(/C=C/c2ccc3c(CC(=O)O)csc3c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGHJMPPHOEREF-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1coc2cc(OCc3ccc(Cl)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULVXPSMZNPOBD-CYBMUJFWSA-N", "SMILES:CC(=O)NCC[C@@H]1COc2cc(OCc3ccc(Cl)cc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRLGEDLOCFAUGR-CYBMUJFWSA-N", "SMILES:CCC(=O)NCC[C@@H]1COc2cc(OCc3ccc(Cl)cc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJCPXMPVDSNURB-LLVKDONJSA-N", "SMILES:O=C(O)C[C@@H]1COc2cc(OCc3ccc(Cl)cc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJCPXMPVDSNURB-NSHDSACASA-N", "SMILES:O=C(O)C[C@H]1COc2cc(OCc3ccc(Cl)cc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RISXXEDTYOXFNR-UHFFFAOYSA-N", "SMILES:O=C(O)C1(CO)COc2cc(OCc3ccc(Cl)cc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCKILJRFFAXDF-UHFFFAOYSA-N", "SMILES:COCC1(C(=O)O)COc2cc(OCc3ccc(Cl)cc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQYBJCSUWJCOSD-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2cc(C)c3c(c2C)OCC3CC(=O)O)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATKLYHFOJERDE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2ccc(Cl)cc2Cl)c(C)c2c1C(CC(=O)O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVEDKECZVBPZBG-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2cc(OCc3cc(C(F)(F)F)nn3C)cc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJJNBHKINWOECV-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1COc1cc(F)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLCHDOAHQYLMH-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc2cc(OCc3ccc(C(F)(F)F)nc3C)cc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOAKAWDSJHNYSJ-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1COc1cc(F)c2c(CC(=O)O)csc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPYXOSQDLVZFY-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1c(C)sc2cc(OCc3cc(C(F)(F)F)nn3C)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAKEXBKQZEKLD-UHFFFAOYSA-N", "SMILES:Cc1sc2cc(OCc3cc(C(F)(F)F)nn3C)cc(Cl)c2c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONVNWNOTTYJOCP-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1c(C)sc2cc(OCc3ccc(C(F)(F)F)nc3C)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOMHSCTGZKVIP-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1COc1cc(Cl)c2c(CC(=O)O)c(C)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MORREBHTSWDEJQ-JVPBZIDWSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2ccccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCAQAKGMWVJCM-YSSFQJQWSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2ccccc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQTZPQXPDPKJF-ASVWTAOFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(OCC(=O)OC(C)(C)C)c2)NC(=O)C(F)(F)c2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKEJRHNKJVBASB-ASVWTAOFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(OCC(=O)OC(C)(C)C)c2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBJSDCIUZBXBO-ASVWTAOFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(OCC(=O)OC(C)(C)C)cc2)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEJCCGEPAUKRA-ASVWTAOFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(OCC(=O)OC(C)(C)C)cc2)NC(=O)C(F)(F)c2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFNHRWVOZQUGKE-BKHJTQGXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(OCC(=O)OC(C)(C)C)cc2)NC(=O)c2ccccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAXZDXPCPGOHF-ASVWTAOFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(OCC(=O)OC(C)(C)C)cc2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGEVHAGIIIWCNC-QKDODKLFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccccc2C#N)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCPVZBQKNVCOHO-GSDHBNRESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccccc2C#N)NC(=O)c2ccccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWJGIRBDDVCIX-SDHOMARFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccnc2)NC(=O)C(F)(F)c2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCDSDTVEIBZGGE-SDHOMARFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccnc2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUCOKWDTIHTAJA-SDHOMARFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFUNMVOREZXJTE-TUSQITKMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2ccc(Cl)s2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROYYERGGUKMMV-QKDODKLFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNFUCDKBUASTEE-GSDHBNRESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)C(F)(F)c2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQJURJAJADARGT-GSDHBNRESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZXFHCRWEPYIDX-SDHOMARFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)c2ccccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRMSQQXLVXDJAM-GSDHBNRESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBTXVTYUAFLAY-OYDLWJJNSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)c2ccc(Cl)s2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISYRKVYPXBLHL-MYKRZTLLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)CCc2cccnc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLANVGNTKPNMIW-GSDHBNRESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccccc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVZAMBTNKGBGN-MRFFXTKBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2cc(Cl)ccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFODPFPHCLVDMJ-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUDJMCPVARJNHB-SSKFGXFMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C2(c3cccc(Cl)c3)CC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVARGUKDSPVNN-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTDIENUOCLKLPR-RXYZOABWSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)Cc2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAILZHAXIWTIJY-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHKFXDTYTXAPL-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJWQYLHFOLKHD-RXYZOABWSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)Cc2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGQHNCLDUOSGD-PZFCBYJZSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)c2ccccc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQNGTBQELPXJOW-IGNZVWTISA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2ccc(Cl)s2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPYKSXKGDSUCW-IGNZVWTISA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYGNEVGARGFCW-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2ccc(Cl)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJRSYDRJNIPOFC-MRFFXTKBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2ccc(Cl)c(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHPMZBAXDTQIK-SSKFGXFMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGHEXAMBSZQRY-ACRUOGEOSA-N", "SMILES:COC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@H](C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYADGXVGFVFJNV-ACRUOGEOSA-N", "SMILES:COC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@H](C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMJSZJKRHEJED-VABKMULXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUXMVFDFAIQUCK-FKBYEOEOSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)c2ccccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHSPAWZSYODIRC-VABKMULXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHLCXGOXMHIOK-YYWHXJBOSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)c2ccc(Cl)s2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBLGLZQYFGRJS-VABKMULXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)C(F)(F)c2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSLCVNVNYYJQQ-QKDODKLFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](COCc2ccccc2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQKZQAVJGNQJF-GSDHBNRESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](COCc2ccccc2)NC(=O)c2ccccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUSYSOMVOLTYMZ-HVCNVCAESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOQMJIYXKLVIRA-HVCNVCAESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVMAMCBTMUEHG-PMVMPFDFSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cnccn1)c1ccccc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYOUKAQLCWEUOT-HQOSDTAYSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(C)C1)c1ccccc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCZWOIYJCECCF-PMVMPFDFSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cnccn1)c1ccccc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNDJEOZEOSYCMD-HJOGWXRNSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccn1)c1ccccc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMKKIYIXAVRLO-VABKMULXSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cncnc1)c1ccccc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAJRZQUOKUBPFX-XWGVYQGASA-N", "SMILES:COc1cccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cnccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHXHAIGPZFZSZ-FIXSFTCYSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cnccn1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGGQRCQDDIWIK-HJOGWXRNSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cncnc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLHUXDMQYMEHRG-GSDHBNRESA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(C)CC1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGGQRCQDDIWIK-VXNXHJTFSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cncnc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHXHAIGPZFZSZ-ZDXQCDESSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cnccn1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGBXZMQIZALXLS-SDHOMARFSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccn1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGSWRQLEAVOJO-FIXSFTCYSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cnccn1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGUVGROZBGTJQ-DTXPUJKBSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc2ccccc2c1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUPTLYALHHFGS-HVCNVCAESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMULEQMQYZSOH-DTXPUJKBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBMFCHGUZGHFTJ-DTXPUJKBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(CNC(=O)OC(C)(C)C)c(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZYOMBINFIUMGD-GOBOWQCMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNRVGMXEZNHCP-NSGJQZOKSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cccc(OCC(=O)OC(C)(C)C)n2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNIMPQSEQKJNAT-ASVWTAOFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSTYJPUGIXCMY-BKHJTQGXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCJKINHATQXJSE-NSGJQZOKSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccn(CC(=O)OC(C)(C)C)c(=O)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKMVTZOZFROBP-ASVWTAOFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APQKNJUXUCZYNS-NSGJQZOKSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(=O)n(CC(=O)OC(C)(C)C)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPIKGRFAWYVEB-LENAEUCASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)COc2ccc(OCC(=O)OC(C)(C)C)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNTDVVLNONBUSF-GOBOWQCMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMNBCRBAFKPHIO-GOBOWQCMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBFVCOKJNZWOFZ-SDHOMARFSA-N", "SMILES:COc1cccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPZZCICLIXGEG-GNKBHMEESA-N", "SMILES:COc1cccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ncccc2C)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLMKWUPKCXFLPE-GSDHBNRESA-N", "SMILES:COc1cccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cnccc2C)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUDKLTGUGFQLBM-GSDHBNRESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2ccccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGMKKYUTZBAOE-SGNDLWITSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccccn1)c1ccccc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVMAMCBTMUEHG-PUHATCMVSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cnccn1)c1ccccc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UALMMXWQGXQWQU-VJBWXMMDSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cncnc1)c1ccccc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFEWJIJIGDRAMX-SKTSAMEXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2ccc(OCC(=O)NCC(=O)OC(C)(C)C)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOLYSLPIWCUEFR-SKTSAMEXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2cccc(OCC(=O)NCC(=O)OC(C)(C)C)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLXOPQNJVYWHN-MYKRZTLLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(OCC(=O)O)cc2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIZKCKEEWABNX-URORMMCBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(OCC(=O)O)cc2)NC(=O)c2ccccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSHDXYFKXZWNM-MYKRZTLLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(OCC(=O)O)cc2)NC(=O)C(F)(F)c2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCGBPRSTPDYAA-MYKRZTLLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(OCC(=O)O)cc2)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTHDMLXAMWQKSS-MYKRZTLLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(OCC(=O)O)c2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPZOIWLBKDPEE-MYKRZTLLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(OCC(=O)O)c2)NC(=O)C(F)(F)c2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPOJPMUXFFXFMV-BVSLBCMMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYBVNCLCPWDPH-BVSLBCMMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFGZZJJMMOIQHG-JCVJZEPNSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(CN)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRRMQFILQBHERI-JCVJZEPNSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(CN)c(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPUCNQRBGHKLA-XAYCWMISSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)Cc2ccc(CN)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQSRTLXEDWLXNT-YGPDHOBYSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cccc(OCC(=O)O)n2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRAJURFLRLNNCB-MYKRZTLLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(OCC(=O)O)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIJARDLHVGNBIA-URORMMCBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(OCC(=O)O)cn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQQFXPOIDONQCD-YGPDHOBYSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccn(CC(=O)O)c(=O)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLXWLVSQZENNK-MYKRZTLLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cccc(OCC(=O)O)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFCUUBHITGYYAV-YGPDHOBYSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(=O)n(CC(=O)O)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FERVPEPQONMXFV-NSGJQZOKSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)COc2ccc(OCC(=O)O)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKXNSPRORYUFAP-ZXRKZBAXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2cccc(OCC(=O)O)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIROMVZTGZZTIJ-ZXRKZBAXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2ccc(OCC(=O)O)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLQYQCAGFWHRIA-GGJONWOFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2ccc(CN)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFYKWNKOAPWIRR-LNMSQIGESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)Cc2ccc(CN)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UISKEBRGZZYOGA-NSGJQZOKSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccc(OCC(=O)NCC(=O)O)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQKDLHHGSRDPQY-NSGJQZOKSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cccc(OCC(=O)NCC(=O)O)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMLABAWUVIOEH-NAYUSWPISA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2ccc(OCC(=O)NCC(=O)O)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFJVSRAWXGDARW-NAYUSWPISA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2cccc(OCC(=O)NCC(=O)O)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJEHTDOHASQJCJ-UFYCRDLUSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYLGNUOQSUQQG-FHWLQOOXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)c2ccccn2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVCGZJNJDNGNAJ-UFYCRDLUSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQZDGMGWJKWCAB-WBAXXEDZSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)c2ccc(Cl)s2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXIMJFLTPDXSIG-UFYCRDLUSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)C(F)(F)c2ccccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQKCHUASJNKDA-FMYROPPKSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)CNC(=O)c2ccccn2)C(=O)N[C@H](C(=O)CC(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWPQHNYVPSBTG-MYKRZTLLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)Cc2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJSTSWVNJTCBF-KCHLEUMXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(c3cccc(Cl)c3)CC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBCMOBXTQBAIX-TUSQITKMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)c2ccc(Br)s2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBPPALORJOQPNE-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2cccc(F)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNWLPLKZHQCFJ-RTFZILSDSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C2(c3cccc(Cl)c3)CCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHBIYLKSFOPQJ-MRFFXTKBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVVPAQHXIJJPOG-MRFFXTKBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2cccc(Cl)c2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPXYVFDNUAXAO-SSKFGXFMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C2(c3cccc(Cl)c3)OCCO2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWPMUJWFDZHQGW-NWVWQQAFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C2(c3ccc(Cl)cc3)CCCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRKZMGROBRYMTM-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2ccccc2OC(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RACOBVRCPRLAMQ-SSKFGXFMSA-N", "SMILES:CCOc1ccccc1C(F)(F)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKYAOGLMTDTJKX-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2ccccc2C(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWBDGHIIMBMLIR-DPSWKAHMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C2(c3c(F)cccc3Cl)CCCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGEPLAASWCZHEL-NWVWQQAFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C2(c3ccccc3F)CCCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAZNBKWWZJKDCL-HIFIKRPYSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(O)(c2cccc(Cl)c2)C(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICNSIMHFGRLXKD-HIFIKRPYSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZGJTZNEXGRHI-VZAFDWCOSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(O)(c2ccc(Cl)c(Cl)c2)C(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNBJHAUSCIXQV-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2OC(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKHNYBZAUEVRS-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLDBVRRSYAYLK-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2C(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOBZLOCDOSIEAM-IRCPABKASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(c2ccc(Cl)cc2)C(C)C)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSQJEDGOSMQVAV-USVIUORUSA-N", "SMILES:CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLXUGUXYROVMFN-MBBCLFQUSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(c2ccc(Cl)cc2)C2CC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOBZLOCDOSIEAM-NSXWQBIQSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQATQKNKNVRRN-IGKWTDBASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIRDSZAGXOMJSN-NDXORKPFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZPDTSNHRJCGT-JHVJFLLYSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2cccc(OC)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBPHFBGVZVUXDJ-JHVJFLLYSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2cccc(C#N)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNBSSZXDCUBEHO-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2cccc(OC(F)(F)F)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTXYJJPRXQXMN-SSKFGXFMSA-N", "SMILES:CCOc1cccc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c2ccc(OC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTTFPKZJWOCLEN-JHVJFLLYSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c2ccccc2OC)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKXAGSMBUAJBFC-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZBBEWWHXPFRC-SYLGYHELSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C(c2cccc(C(F)(F)F)c2)C(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEQZZLIHAVKFLT-GKCIPKSASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2OC(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDWAFSMLYWARSH-JQFCIGGWSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C2(C(F)(F)F)CCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTNCTZJKDCVET-SNRMKQJTSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C2(C(F)(F)F)CCCCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGDSVRVWWKDPV-WBAXXEDZSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C2(C(F)(F)F)CCCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDWSSGCLGMUOHT-JEQOYQROSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDWSSGCLGMUOHT-VUHWMDJISA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJZOXXFZPIUTJ-FHWLQOOXSA-N", "SMILES:COC[C@H](NC(=O)C1(C(F)(F)F)CCCC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGIHTNCABABDY-FHWLQOOXSA-N", "SMILES:COC[C@H](NC(=O)C1(F)CCCC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLFFGXWRWONBHZ-SDHOMARFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPWUTAZSMCGHZ-GSDHBNRESA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXZJZUINRYOKOL-DTXPUJKBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBHOXKYCIJWHT-DTXPUJKBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSOHDKCTJLUICO-CUPIEXAXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSOHDKCTJLUICO-HWFRFQLBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSUFMLPVGVLFBK-DTXPUJKBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)NC(=O)c2cccc(C(F)(F)F)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITUNJHCHKQDDSR-KCHLEUMXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)NC(=O)C2(C(F)(F)F)CCCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCVWWSUUGKGBEM-LFCSJMILSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)NC(=O)C(c2cccc(C(F)(F)F)c2)C(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWPYCCYXULVURZ-UFYCRDLUSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](COC(F)(F)F)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXPGIWQFGJTBR-UFYCRDLUSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](COC(F)(F)F)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGHMMXMOMJEDF-ACRUOGEOSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CC#N)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNKSWKROTXOGKH-ACRUOGEOSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CC#N)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOJCMRDSQICSDI-BKHJTQGXSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(OCC(=O)OC(C)(C)C)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYXCDYOHLHLLG-FKBYEOEOSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCCN)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQHWGOXQEIBKOU-RGRVRPFLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCCCN)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFQGXAIRUFKMD-RGRVRPFLSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCCCN)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQSHBDJSJZEWPW-JCVJZEPNSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFJFUMPLBLCUEQ-JCVJZEPNSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVGGONASBLQRGK-JCVJZEPNSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)C(F)(F)c2ccccc2C(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZMCZQRMHWKRW-OYYGHALTSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)C2(c3ccc(Cl)cc3)CCCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGCNJQQEKOQJBK-ZBNLYPIWSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)c2ccc(Cl)s2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRDQUEQWBZZIDK-IUQRHOJWSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRDQUEQWBZZIDK-AXPARRDRSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDGUOOJEKUMNI-JIAFFKSGSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)C(c2ccc(Cl)cc2)C2CCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKZOBKASXRYXOS-JCVJZEPNSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)c2cccc(C(F)(F)F)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVYAOAKZJYIZOR-NAGNLMCHSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)C2(C(F)(F)F)CCCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEPOVOWGATPQP-NPJOGGKASA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)C(c2cccc(C(F)(F)F)c2)C(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKHCYKNXVOWODC-UFYCRDLUSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)C(F)(F)c2ccc(Cl)c(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUCBSJLIIHKHNG-UFYCRDLUSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROCDWGUTVOQZKN-UFYCRDLUSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)C(F)(F)c2cccc(F)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYMWHGPIBSRKGN-IHPCNDPISA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)C(F)(F)c2ccccc2OC(F)(F)F)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXOCFQQIUCOFDL-BVSLBCMMSA-N", "SMILES:CCOc1ccccc1C(F)(F)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFQXXAZKZBSKLR-FKBYEOEOSA-N", "SMILES:CCc1ccccc1C(F)(F)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZRZJBJXKAMOOZ-HJOGWXRNSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)C2(c3ccc(Cl)cc3)CCCC2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVHHDFJJLGOFC-JBACZVJFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)C(F)(F)c2ccccc2OC)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSPNNOSGULNNF-ACRUOGEOSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CO)NC(=O)C(F)(F)c2ccccc2C#N)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRHGKXKDOOPPN-JBACZVJFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFAYKGKTMSQCM-JBACZVJFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIZQXSHOZYLIDH-BVSLBCMMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYIZJCBZTULSE-BVSLBCMMSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILANCSUCHJPTQ-OPXMRZJTSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)c1ccc(Cl)s1)c1ccc(OCC(=O)O)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXGDZOCMLVPJOW-URORMMCBSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(OCC(=O)O)cc1)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTKPMIMAVRWHMV-KCHLEUMXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCCCNC(=O)c2ccccn2)NC(=O)C(F)(F)c2ccc(Cl)c(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUSZVNMTOLCTOX-URORMMCBSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCCCNC(=O)c2cnccn2)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJPABZZZWCLJV-QKDODKLFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCCCNC(=O)c2cncnc2)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCBREUVIWIRSHX-KCHLEUMXSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCCCNC(=O)c2ccccn2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPFOBMMOQMXSG-QKDODKLFSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](CCCNC(=O)c2ccccn2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAWLGDJDPBRRQ-CPCREDONSA-N", "SMILES:COc1ccc([C@H](NC(=O)[C@H](Cc2ccc(CNC(=O)c3ccccn3)cc2)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSNVIKBMFGCLE-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1cc(OP(=O)(O)O)cc(-c2c(OP(=O)(O)O)cc(OP(=O)(O)O)cc2OP(=O)(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REBFLNOBYPJKFK-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1cc(OP(=O)(O)O)c(-c2cc(OP(=O)(O)O)c(OP(=O)(O)O)cc2OP(=O)(O)O)cc1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJTGIQJLTGTMQT-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1cc(-c2cc(OP(=O)(O)O)c(OP(=O)(O)O)c(OP(=O)(O)O)c2)cc(OP(=O)(O)O)c1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMXQMGWIPASSN-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1cc(F)c(-c2cc(OP(=O)(O)O)c(OP(=O)(O)O)cc2F)cc1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZGMBGXCYAMCB-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1cc(OP(=O)(O)O)c(OP(=O)(O)O)cc1OCCOc1cc(OP(=O)(O)O)c(OP(=O)(O)O)cc1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPFCGZLFXVXBG-CNWJWELYSA-N", "SMILES:O=P(O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1756", "category": ["biolink:ChemicalEntity"], "name": "ESTRAMUSTINE PHOSPHATE", "xref": ["InChIKey:ADFOJJHRTBFFOF-RBRWEJTLSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O"], "synonym": ["Estramustine phosphate", "Estramustine 17-(dihydrogen phosphate)", "Estramustine phosphate", "Ls 299", "Ls-299", "NSC-89199", "Estracyt"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL5092487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQLGGKEKRUTOS-UHFFFAOYSA-N", "SMILES:O=P(O)(O)Oc1ccc(OCCOc2ccc(OP(=O)(O)O)c(OP(=O)(O)O)c2)cc1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZXXUUDYMHBSG-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2337806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZPGNRLOKVZJY-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1sccc1OCc1ccc(Cl)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFYVAHJWGJYAT-QLCNXWICSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O)OC(=O)CCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARNFXCXELGQKU-UHFFFAOYSA-N", "SMILES:CC(C(C)N1CC(=O)NC(=O)C1)N1CCNC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARNFXCXELGQKU-DTWKUNHWSA-N", "SMILES:C[C@H]([C@H](C)N1CCNC(=O)C1)N1CC(=O)NC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMPWRBZLUVWIO-LCQMPJFHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTHIQFTTFCXGJ-VTGDPKQBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDBUOJUCHMDGB-FECDPLHUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMJIWNBWPNKOJD-DZCXQCEKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHEPTDQYIRPUFG-LCQMPJFHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQWSHWVEZYKKG-LCQMPJFHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBCKPYRHSODOTQ-FECDPLHUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBZNZJNYVPWQPU-TYNFAKEDSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCn2cc(nn2)COc2cc(cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c2)OCc2cn(nn2)CCSSCCOC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSRVWCBORZIYDW-TYNFAKEDSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)OCCOCCn2cc(nn2)COc2cc(cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c2)OCc2cn(nn2)CCOCCOC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNVJMHHAXCPZHF-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIIXZPWFDKPNKW-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNZRENACMJYNG-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(C(=O)Nc3c(F)c(F)c(-c4ccccc4)c(F)c3F)c(O)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBLNACULOGDXAT-UHFFFAOYSA-N", "SMILES:Cc1ccn2nc(O)c(C(=O)Nc3c(F)c(F)c(-c4ccccc4)c(F)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQTNXUWOGRYXAE-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1c(O)nn2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVDZLMVPCLOVRD-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1c(O)nn2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRQBOHPNQRCPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(N2CCOCC2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUNBTZCNWXVQIB-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2cccs2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWVSXLCVNGVGDR-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2cccnc2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFXLQVLIXWGTI-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2ccnc(C(F)(F)F)c2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLXCOSBURZVRRI-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2ccc(F)cc2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMAWCHYKHAQTSI-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2cccc(F)c2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJVPAYBLNAXNJR-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2ccc(C(F)(F)F)cc2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVSXCZYHJCLULO-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2cccc(C(F)(F)F)c2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQFBKBYHVHKJA-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2cccc(O)c2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFOVDDXICBDOS-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(F)c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c1F)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOUXQJXFYIHZAV-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2c(F)c(F)c(NC(=O)c3c(O)nn4ccccc34)c(F)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKJFAVPFVZTZGV-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(-c2c(F)c(F)c(NC(=O)c3c(O)nn4ccccc34)c(F)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADIARAUFGUAAD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(Cc4ccccc4Cl)CC2)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLLOSUHNZXKTP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(Cc4ccc(Cl)cc4Cl)CC2)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWWONSUPBIMMRY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(Cc4ccc(Cl)cc4)CC2)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKQFKUSZTHEQKW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(Cc4ccc(C(F)(F)F)cc4)CC2)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSMVYPIKQHUGDJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(Cc4ccc(C#N)cc4)CC2)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPDSMFEKWHMBR-HXUWFJFHSA-N", "SMILES:C[C@H](c1ccc(C#N)cc1)N1CCC2(CC1)OCCc1cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGGIUCGEJCQJDD-OAQYLSRUSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@H](C)c4ccc(C#N)cc4)CC2)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYOUSXXNFBRNE-HXUWFJFHSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@H](C)c4ccc(C(F)(F)F)cc4)CC2)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNBSLHDCMXLMG-GOSISDBHSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@H](C)c4cnc(C(F)(F)F)nc4)CC2)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNMTIDQAMASPV-RBUKOAKNSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@H](C)c4cnc(C(F)(F)F)nc4)CC2)O[C@@H](C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRILRODAQGTMBA-HXUWFJFHSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@H](C)c4ccc(C#N)cc4)CC2)OCC3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILXLMNLDODDHOQ-ZWKOTPCHSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@H](C)c4cnc(C(F)(F)F)nc4)CC2)O[C@@H](C)C3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNUKNKHSFUCCA-UHFFFAOYSA-N", "SMILES:Clc1ccc(CN2CCC3(CC2)OCCc2ccsc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKENYQUPCBEFPI-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc23)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCAKAWHWPZPONC-HTPDUPNNSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCNC(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYYLBRNKCHQFK-WELVUVILSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCNC(=O)CCCCCCCn2c(=S)[nH]c3ccccc3c2=O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHIUXEXQVDGAFD-XXEZFYNFSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCNC(=O)c2ccc(N3CCN(C(=O)CCCn4c(=S)[nH]c5ccccc5c4=O)CC3)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGDEAFDAONGHS-CLOQWIPESA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCNC(=O)c2ccc(N3CCN(C(=O)CCCCCCCn4c(=S)[nH]c5ccccc5c4=O)CC3)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZEBVSZDNUJETP-HFVQNJLVSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCNC(=O)CCc2nc3cc(OC)ccc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXZSAGFWUZGSA-IBOCXZHFSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCNC(=O)CCc2nc3ccc(OC)cc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARNTHMXUOQDQU-XVJUZEHKSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCNC(=O)CCc2nc3cc(OC)ccc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRROHFNBXFFLG-MBYNOQGMSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCCNC(=O)CCc2nc3ccc(OC)cc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQJAAMFRZYIEQD-LKSPLNBLSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCCCNC(=O)CCc2nc3cc(OC)ccc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHCVBOXKQRVDP-BAATXBEPSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOKWXMEYJCARW-HFVQNJLVSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKZVBTPPXXQRKO-IBOCXZHFSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSBLCJRMGSWBZ-XVJUZEHKSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYROWLBSDZLXGM-MBYNOQGMSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKZMKQRCDKPPU-XNMGZVBDSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCN)cc1)c1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBAAISUPDBJYDO-UHFFFAOYSA-N", "SMILES:CC1=C(C)C(=O)C(C(C)(C)CC(=O)O)=C(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDYTHJQERRYCR-UHFFFAOYSA-N", "SMILES:CC1=C(C(C)(C)CC(=O)O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKKSHBDPWFKKBF-UHFFFAOYSA-N", "SMILES:CC(C)(CC(=O)O)C1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL152868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYLYDATVANZFF-UHFFFAOYSA-N", "SMILES:CC1=C(CCC(=O)O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRGDDNIKFJKGLD-UHFFFAOYSA-N", "SMILES:O=C(O)CCC1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGDXMHWTLOSIL-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXURESZXLUAKBA-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLQBZDFZSVJKMK-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRQKJVNJBNRRK-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNPRRYVCAJIOR-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(Cl)cc1)Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPKXXLNQYTWPQT-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDMGURQVLGNMEN-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRJKUOYNCACDLU-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHFDLHSWZFVSR-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHSYIIZWGKAVBS-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLRKOHKKDBTAY-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQHPYCGCNGNPU-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCAXGDDSLVDMAT-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)CC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIZHVMQOGRRGOZ-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)CC1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNOYFTXEHUXHIL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHBOHDGOHENCO-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMZPMJIHDQGACL-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKVMNVFVEGLSBA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN(Cc3ccccc3)CC(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBOYPHXQOIFSHZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN(Cc3ccccc3)CC3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPWJHTMOWATEBN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN(Cc3ccccc3)CC3CCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGVLCHGASNWNBQ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NCCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFXWTXUDYOTLQ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCNc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGVBLBBAPMDDH-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccccc1)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKGARHVXHNXHQM-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFYIHLOAVOCDU-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMNWQWOGFLPGY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN(Cc3ccccc3)CC3CC3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOBGQCVFGJEWCI-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1c(Cl)cc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGRHBMXPNXXGBY-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1ccc(NC(=O)NCc2ccc(S(=O)(=O)CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPLLLZLPASGUJH-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJOQPAWRWMKSPB-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1ccc(NCCc2ccc(S(=O)(=O)CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYXEXMIYBSFMQ-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJWUSQWMYOPKCW-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLJMFYWHEGUBNB-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZWYZZNQVUAAO-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCJKFMKCLURICR-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1Cl)CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCLUUAWPOCXIAA-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1)CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUNIWOBNCZNPJ-UHFFFAOYSA-N", "SMILES:CCCN(Cc1c(Cl)cc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1Cl)CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXPGUMMAZLBLK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ncc(CCNc2ncnc3ccccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRWLMJGCYQGYBC-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)s3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOLWWHPGCZIES-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSAPSJDZCNDHC-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4ccccc4)s3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCZMIFVJLNKAJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMTUUMTBJOKEW-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPFVXUAUOJMMB-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADWEEJGFUTQGB-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVRFFAXYBXOLT-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVURJNXZMDCUCD-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIPMVVIBKQVFHF-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRHGLWQBMHVRRM-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(Nc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPDHLLJHKURRW-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDRPJYJFQRQZDU-UHFFFAOYSA-N", "SMILES:CCOc1cc2c(NCCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)ncnc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDMTMSVJDRRTN-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMPPODCXXBGWET-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YICDYXUSGXQKLK-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDUGMLVLKUSBZ-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCBHWYCVRSEFM-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBRUKZHVDWECM-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cc(Cl)ccc4OC)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZAPMAGSEHVBQI-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4OC)cc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCIJDABQSMRMU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3cc(F)c(F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFHAUCMQKSIQI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CCNc2ncnc3cc(F)c(F)cc23)cc1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGJLZJKRXHJPL-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCCOCCOCCOCCNC(=O)C4CCN(Cc5ccc(OCCCN6CCCCC6)cc5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQIOISZPFVUFG-YFKPBYRVSA-N", "SMILES:C[C@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1433079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWUDCQQAISVQOP-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHDREUSFAZYGFO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRWCGDPKMVQCK-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXYQFPOJJXYNK-UHFFFAOYSA-N", "SMILES:NCCOCCOCCOCCNC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFMUBYLGZFTQM-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CCCC(O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc3)C2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCABBSGDIBKFRJ-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CCC(O)(CNc3ccc(CN4CCC(C)(C)CC4)cc3)CC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUEBEIXDCFSDPS-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CCC(O)(CNc3ccc(CN4CCC(C)(C)CC4)cn3)CC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYWRSYQNAIHTSQ-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CCC(O)(CNc3ccc(CN4CCC(C)(C)CC4)nc3)CC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTLDMCHZRAFXCB-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(NCC3(O)CCN(c4cc(NCc5ccccc5)ncn4)CC3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPMULMRBSZTEGN-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(C(=O)NC3CCN(c4cc(NCc5ccccc5)ncn4)CC3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJEWLHZZXYDBNT-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(N3CCOC4(CCN(c5cc(NCc6ccccc6)ncn5)CC4)C3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPKIAXMFJWAHQ-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(N3CC(=O)NC4(CCN(c5cc(NCc6ccccc6)ncn5)CC4)C3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMOMNPRYHLVUTG-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(N3CC(=O)NC4(CCN(c5cc(NCc6ccccc6)ncn5)CC4)C3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZJZYBWYKPHFG-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CCC3(CC2)CN(c2ccc(CN4CCC(C)(C)CC4)cc2)CC(=O)N3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJYDWVTUEGVWPA-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CC3(CN(c4ccc(CN5CCC(C)(C)CC5)cc4)CC(=O)N3)C2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLLBTAATPZHSC-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CCC3(CC2)CN(c2ccc(CN4CCC(C)(C)CC4)cc2)C(=O)N3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXCWPPRGHCUNI-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CCC3(CC2)CN(c2ccc(CN4CCC(C)(C)CC4)cc2)CC(=O)N3C)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHBXKKUEFVTMG-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(N2CCC3(CC2)CN(c2ccc(CN4CCC(C)(C)CC4)cc2)CC(=O)N3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJOBOVGEKZTYKP-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cc(N2CCC3(CC2)CN(c2ccc(CN4CCC(C)(C)CC4)cc2)CC(=O)N3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWZHWNOKTFSSGE-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(N3CC(=O)NC4(CCN(c5cc(NC6CC6)ncn5)CC4)C3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJJFIFKPWWSNGM-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(N3CC(=O)NC4(CCN(c5ncnc6[nH]ccc56)CC4)C3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIIPLBAYSZUVEO-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(N3CC(=O)NC4(CCN(c5ccnc6[nH]ccc56)CC4)C3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFCRIUPWCMVQHW-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc(N3CC(=O)NC4(CCN(c5nc(Cl)nc6[nH]ccc56)CC4)C3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYWOVBUGFWWSJR-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CCC3(CC2)CN(c2cc(F)c(CN4CCC(C)(C)CC4)cc2F)CC(=O)N3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFMKIJDUIQGGII-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CCC3(CC2)CN(c2ccc(CN4CCC(C)(C)CC4)cc2F)CC(=O)N3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZMNTMLBDUPPA-UHFFFAOYSA-N", "SMILES:CNc1cc(N2CCC3(CC2)CN(c2ccc(CN4CCC(C)(C)CC4)c(F)c2)CC(=O)N3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFLBNAROMBKKJF-MRAWALMUSA-N", "SMILES:COC(=O)C1=COC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL134519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMZUEKZENQUJY-SSDOTTSWSA-N", "SMILES:COc1cc(C[C@@H](C)N)c(OC)cc1I"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5072247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRZCWUQUBSIPF-ZZTFNPIZSA-N", "SMILES:CC[C@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5089613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQUEZKRWSZMBS-ZZTFNPIZSA-N", "SMILES:C=C[C@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL292521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRZCWUQUBSIPF-XZNUVMSOSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5092588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEZWOHSKTQSNFY-KARKAFJISA-N", "SMILES:Cc1c(C(=O)NCCc2cccc(/N=N\\c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGGPATNDQAXUGV-KARKAFJISA-N", "SMILES:Cc1c(C(=O)NCCc2ccc(/N=N\\c3ccccc3)cc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJOISIRZWRDCQB-YHZPTAEISA-N", "SMILES:Cc1c(C(=O)NCCCc2ccccc2/N=N\\c2ccccc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVDXISNWBGIAEN-YHZPTAEISA-N", "SMILES:Cc1c(C(=O)NCCCc2cccc(/N=N\\c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRMNFWPFZNWYOF-YHZPTAEISA-N", "SMILES:Cc1c(C(=O)NCCCc2ccc(/N=N\\c3ccccc3)cc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIUBWSIGSHNCP-QNEJGDQOSA-N", "SMILES:Cc1c(C(=O)NCc2ccccc2/N=N/c2ccccc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQEGRKYLYQKVAS-ULIFNZDWSA-N", "SMILES:Cc1c(C(=O)NCCc2ccccc2/N=N/c2ccccc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEZWOHSKTQSNFY-ULIFNZDWSA-N", "SMILES:Cc1c(C(=O)NCCc2cccc(/N=N/c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJOISIRZWRDCQB-JEIPZWNWSA-N", "SMILES:Cc1c(C(=O)NCCCc2ccccc2/N=N/c2ccccc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVDXISNWBGIAEN-JEIPZWNWSA-N", "SMILES:Cc1c(C(=O)NCCCc2cccc(/N=N/c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLXCDDXHZGXKFR-NVQSTNCTSA-N", "SMILES:Cc1c(C(=O)Nc2cccc(/N=N/c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSLDQWWKFGBIAS-KTMFPKCZSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(/N=N\\c3ccccc3)cc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIUBWSIGSHNCP-MVJHLKBCSA-N", "SMILES:Cc1c(C(=O)NCc2ccccc2/N=N\\c2ccccc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUELVICGGFDKTP-MVJHLKBCSA-N", "SMILES:Cc1c(C(=O)NCc2cccc(/N=N\\c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMJJQNIXCOMJGY-MVJHLKBCSA-N", "SMILES:Cc1c(C(=O)NCc2ccc(/N=N\\c3ccccc3)cc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQEGRKYLYQKVAS-KARKAFJISA-N", "SMILES:Cc1c(C(=O)NCCc2ccccc2/N=N\\c2ccccc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYGZZSAFWLNMY-NVQSTNCTSA-N", "SMILES:Cc1c(C(=O)Nc2ccccc2/N=N/c2ccccc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYGZZSAFWLNMY-KTMFPKCZSA-N", "SMILES:Cc1c(C(=O)Nc2ccccc2/N=N\\c2ccccc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLXCDDXHZGXKFR-KTMFPKCZSA-N", "SMILES:Cc1c(C(=O)Nc2cccc(/N=N\\c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUELVICGGFDKTP-QNEJGDQOSA-N", "SMILES:Cc1c(C(=O)NCc2cccc(/N=N/c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMJJQNIXCOMJGY-QNEJGDQOSA-N", "SMILES:Cc1c(C(=O)NCc2ccc(/N=N/c3ccccc3)cc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGGPATNDQAXUGV-ULIFNZDWSA-N", "SMILES:Cc1c(C(=O)NCCc2ccc(/N=N/c3ccccc3)cc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRMNFWPFZNWYOF-JEIPZWNWSA-N", "SMILES:Cc1c(C(=O)NCCCc2ccc(/N=N/c3ccccc3)cc2)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXGNRZUGRHMVGM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUUNXJMHBFNPRI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMTGYYNXZLMMIC-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMWQXXSZXBWBCU-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQLRKIYVVKDRJ-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNPVKHIXQEXMC-UHFFFAOYSA-N", "SMILES:CCN(OC)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQPEAPWNBGNFG-UHFFFAOYSA-N", "SMILES:CON(C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWGASIROSNQQK-UHFFFAOYSA-N", "SMILES:CONC(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAITRSZSZIZQT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C(=O)N3CCCO3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSREVLALNONGY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C(=O)N3CCCCO3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITDSZDNNHJKPGA-UHFFFAOYSA-N", "SMILES:CCON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYTDDPZEBXACEJ-UHFFFAOYSA-N", "SMILES:CC(C)ON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLGFCURKTWRXHA-UHFFFAOYSA-N", "SMILES:CCCON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSGLBBHTPMRHO-UHFFFAOYSA-N", "SMILES:CN(OCCO)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDGIFWHJCACRQE-UHFFFAOYSA-N", "SMILES:CN(OC1CCC1)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBAVDZXCZVFGQN-UHFFFAOYSA-N", "SMILES:CN(OC1COC1)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMDVDXYBVMTDY-UHFFFAOYSA-N", "SMILES:CN1CC(ON(C)C(=O)c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMYKLWMXAXPNQ-UHFFFAOYSA-N", "SMILES:CN(OC1CCOC1)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRPDXAYOJDMJFN-UHFFFAOYSA-N", "SMILES:CN(OC1CCCOC1)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPOHQSMAYDFMOP-ZYHUDNBSSA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(Cl)c1)C(=O)N(C)O[C@@H](CO)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJNUVVURQBJAG-ZYHUDNBSSA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N(C)O[C@@H](CO)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUMKMCZBLUXPGA-TZMCWYRMSA-N", "SMILES:Cc1cc(NC(=O)N2Cc3c(nn4c3C(=O)N(C)O[C@@H](CO)C4)C[C@H]2C)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZLBJAQGTXFCQ-BXUZGUMPSA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(C#N)c1)C(=O)N(C)O[C@@H](CO)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKLPHYVPAGGKQZ-LLVKDONJSA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(C#N)c1)C(=O)N(C)OCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHZYHAVMNODWNV-OCCSQVGLSA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(Cl)c1)C(=O)N(C)O[C@@H](CN(C)C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEIAJPNBZMCHX-KZULUSFZSA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(C#N)c1)C(=O)N(C)O[C@@H](C(=O)N(C)CC(F)F)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMBSROMXXIPQJK-IUODEOHRSA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(C#N)c1)C(=O)N(C)O[C@@H](COCC(F)F)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQSQEBFCCYEFD-RISCZKNCSA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(C#N)c1)C(=O)N(C)O[C@@H](CF)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHSDUHGSNPHSZ-UHFFFAOYSA-N", "SMILES:CN1OC(CO)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHSDUHGSNPHSZ-LLVKDONJSA-N", "SMILES:CN1O[C@@H](CO)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHSDUHGSNPHSZ-NSHDSACASA-N", "SMILES:CN1O[C@H](CO)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMAVCPDTRDJXEL-JTQLQIEISA-N", "SMILES:CON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)[C@@H](C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMAVCPDTRDJXEL-SNVBAGLBSA-N", "SMILES:CON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)[C@H](C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPOHQSMAYDFMOP-PWSUYJOCSA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(Cl)c1)C(=O)N(C)O[C@H](CO)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPOHQSMAYDFMOP-JQWIXIFHSA-N", "SMILES:C[C@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(Cl)c1)C(=O)N(C)O[C@H](CO)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPOHQSMAYDFMOP-CMPLNLGQSA-N", "SMILES:C[C@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(Cl)c1)C(=O)N(C)O[C@@H](CO)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFHOTCCTGEROZ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOBPVPXEKCTQFH-JTQLQIEISA-N", "SMILES:C[C@H]1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1ccc(F)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPSNOYFTMRELT-RVQHOWKTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@H](C)C(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVUIIJFSLMOYEN-CQZGHZGPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCKABMQZKLYET-CARCOOMDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQVZYXQCWCLAM-XPNFMICQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPFWXIBLKRIJQT-UCDPABSNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHAJYWBCVOVFNV-UMCBKXFVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)C(C)C)CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIMKJHIKCYAUFT-OTPHUNNASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTZUGADQZLMVNO-PPELRANPSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKHULCLEUPJABS-LOIVHZOFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](C)CC)CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXSXXPLAJFTHNP-FZSSPLNMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXRPNSVQPQPQEZ-CERUHMIASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFVJCPPNMOSTBP-LOIVHZOFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYZUTFIXLHNDV-XCYLOSMWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSKKBUFBQGOCG-OTXMWOFZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHXGDXCMDQELJJ-FTWOASMQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCCC/C=C/CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODYJVJUBKYVOU-FIBWVYCGSA-N", "SMILES:CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccc(CNC(=O)c3cnn(-c4ccccc4)c3N)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCCKGDYQJAXBC-VQSVVBPOSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NC3CCCN(C(=O)C4CC4)C3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXFEXDVLZHKHO-YYMSGCCCSA-N", "SMILES:Nc1c(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NC3CCCN(C4COC4)C3)cc2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBCKVJQCJVMEN-XIJSCUBXSA-N", "SMILES:CS(=O)(=O)N1CCCC(NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccc(CNC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTSZCILMYLHHC-IFVGDZTKSA-N", "SMILES:CC(NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)NC2CCCN(S(C)(=O)=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTSZCILMYLHHC-WVQMWBIHSA-N", "SMILES:CC(NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTSZCILMYLHHC-TXJOQVMLSA-N", "SMILES:CC(NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHLXFWYKIVZLDA-SANMLTNESA-N", "SMILES:CCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568183", "category": ["biolink:ChemicalEntity"], "name": "SR-301", "xref": ["InChIKey:JINDDPNTLQVRRX-ACEFPKFPSA-N", "SMILES:CS(=O)(=O)N1CCCC(NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccc(CNc3ncnc4c3nnn4-c3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CULJRLFFBRSDOM-JFINJBMXSA-N", "SMILES:CS(=O)(=O)N1CCCC(NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccc(CNc3ncnc4c3cnn4-c3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEMAJSTGUDUQZ-BHOIILBASA-N", "SMILES:CC(NC(=O)c1cnc2ccccn12)c1ccc(C(=O)N[C@H](CCC2CCCCC2)C(=O)NC2CCCN(S(C)(=O)=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUYKAMJRIAPDD-YNMFNDETSA-N", "SMILES:Cn1ncc(C(=O)NCc2ccc(C(=O)N[C@@H](CCC3CCCCC3)C(=O)NC3CCCN(S(C)(=O)=O)C3)cc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCIIHRALMXYKU-WISNAQHKSA-N", "SMILES:CC(NC(=O)c1cnn(C)c1N)c1ccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)NC2CCCN(S(C)(=O)=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077961", "category": ["biolink:ChemicalEntity"], "name": "MILREBRUTINIB", "xref": ["InChIKey:LJODJUIHONTDMR-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(C3=CCN(C4COC4)CC3)[nH]c2n1"], "synonym": ["Docirbrutinib", "Milrebrutinib", "Milrebrutinib", "Milrebrutinib", "Docirbrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMDOZUOBAVPHAR-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(-c3ccccc3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMJBKINVMDEDX-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWUBYBSKWWPCAM-UHFFFAOYSA-N", "SMILES:Cc1cc2c(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)nc(N)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKYCGTAINHHWEB-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(-c3cccnc3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCQWGHQRRKFOSK-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(-c3ccncc3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPWJBMKECLBAGU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC=C(c2cc3c(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)nc(N)nc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURVPEAYOPCPRO-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(C3=CCNCC3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJWQZVUYCOFTOB-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(C3=CCCCC3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJBREDEMVGORP-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N1CC=C(c2cc3c(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)nc(N)nc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJKMVJSOHIGIKI-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)N2CC=C(c3cc4c(-c5cccc(-n6ccc7cc(C8CC8)cc(F)c7c6=O)c5CO)nc(N)nc4[nH]3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLELJKANOPBAHU-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(C3=CCN(C(=O)CN4CCOCC4)CC3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFFPCNJXSDCYII-REQIQPEASA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3cc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)ccc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWIUDSZQDVZITQ-OCIVTJSKSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@@]2(C)CCC(c3ccc(Cl)cc3)=C(CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(N[C@H](CCN6CCOCC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)C2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWIUDSZQDVZITQ-QFNMACOTSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@]2(C)CCC(c3ccc(Cl)cc3)=C(CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(N[C@H](CCN6CCOCC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)C2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESYCLLAYBBSPF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTSEOQKLGLHPF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CCOCC3)cc1n2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXLZXVRZRJJOGR-IYBDPMFKSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYGFPBKKGYQLRD-IYBDPMFKSA-N", "SMILES:Cc1nocc1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUXILONWUDAQO-IYBDPMFKSA-N", "SMILES:Cc1oncc1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NECHYCHMXDDUGS-IYBDPMFKSA-N", "SMILES:Cc1n[nH]c(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBCNLLQYBSFLV-IYBDPMFKSA-N", "SMILES:Cc1nnn(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHQMLILXQSMAFE-IYBDPMFKSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc3n(CC3CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPFZDQAMRYSUKM-KDURUIRLSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc3n(Cc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVBUSGJLIGBEJU-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(C)(C)O)ccc3n(Cc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMHHQADTDWUSX-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n(Cc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPTAOBVCBZIKKT-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n(CC3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVDQRLLMNXPXEE-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n(C(c3ccccc3)c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHVPYFGFCBBJH-HKBQPEDESA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n([C@@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHVPYFGFCBBJH-WJOKGBTCSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POIDZKZBMFKFLB-WJOKGBTCSA-N", "SMILES:Cc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n([C@H](c3ccc(F)cc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZAPXWCSDTYFNB-SSEXGKCCSA-N", "SMILES:Cc1noc(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJDJRWBCNPRKRW-IFADSCNNSA-N", "SMILES:C=CC1=C(C)C(=O)N/C1=C\\c1[nH]c(Cc2[nH]c(/C=C3\\NC(=O)C(C)=C3C=C)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPXCRDLTDWWSW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cc(F)ccc4F)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500027", "category": ["biolink:ChemicalEntity"], "name": "SECALONIC ACID A", "xref": ["InChIKey:DRYDKQOPVBDZMQ-ZKHWAINJSA-N", "SMILES:COC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@@H](C)[C@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1=C(O)C[C@@H](C)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5077538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUOXKUHQDKAZQD-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2cc3c(n2)CCCC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDODFNEXITXEL-UHFFFAOYSA-N", "SMILES:O=C1CCCc2nn(C(=O)C3CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWEFOVWAUUWLMN-UHFFFAOYSA-N", "SMILES:O=C1CCCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAPHMLVVBFSHML-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2ncc3c2CCCC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWQFNIZGCHAIR-UHFFFAOYSA-N", "SMILES:O=C1CCCc2c1cnn2C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVEBTYDUTXLPGE-UHFFFAOYSA-N", "SMILES:O=C1CCCc2c1cnn2CC(=O)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URHIIXMAHWXCMY-UHFFFAOYSA-N", "SMILES:O=C1c2cn(C(=O)C3CC3)nc2CCC1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZXPWELBBILSME-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)n1cc2c(n1)CCC(Br)(Br)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOJQPVMLGKIFKM-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2cc3c(n2)CCC(Br)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZEAZTKVSUWTTG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2cc3c(n2)CCC(Br)(Br)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSZNHCHYWCBAA-UHFFFAOYSA-N", "SMILES:O=C1c2cnn(C(=O)C3CC3)c2CCC1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWZVNQOIERPJBR-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)n1ncc2c1CCC(Br)(Br)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUDVAMAKIOHISR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)n1ncc2c1CCC(Br)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIOCBZOGRLYJE-CYBMUJFWSA-N", "SMILES:COc1ccccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKXIFKFURVTPEE-QGZVFWFLSA-N", "SMILES:COc1cc(N(C)CCN(C)C)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVHGKNVNBUOQLH-MRXNPFEDSA-N", "SMILES:COc1cc(N2CCCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQOCLNOUPUFOLP-QGZVFWFLSA-N", "SMILES:COc1cc(N2CCCCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCPNXBCZRTSCL-GOSISDBHSA-N", "SMILES:COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYKHVOASFQYMI-MRXNPFEDSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPQJDKQHHQJDE-HXUWFJFHSA-N", "SMILES:COc1cc(N2CCC(N3CCOCC3)CC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHGLJCCPVZFSLY-MRXNPFEDSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N3CCC[C@@H](N)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKHGSBQGVFHPJ-MRXNPFEDSA-N", "SMILES:COc1cc(N2CCNCC2)ccc1NC(=O)c1cnn2ccc(N3CCC[C@@H](N)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPYUNASOLYOJCC-QGZVFWFLSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn2ccc(N3CCC[C@@H](N)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXNRGWZOIAITOU-QGZVFWFLSA-N", "SMILES:COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1NC(=O)c1cnn2ccc(N3CCC[C@@H](N)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFMPBPMIIRXQQ-QGZVFWFLSA-N", "SMILES:CCOc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPSGUFUHICSGX-GOSISDBHSA-N", "SMILES:CC(C)Oc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBOYBOOTEIVALK-MRXNPFEDSA-N", "SMILES:CSc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGOHFUYEJBQHIS-QGZVFWFLSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFEHZEMFKMMTIO-QGZVFWFLSA-N", "SMILES:Cc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUNCUIZEBAAGC-OAHLLOKOSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZXXNNSAPQBQHT-OAHLLOKOSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1F)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGXWBCXAWPIRK-OAHLLOKOSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1Cl)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZFUYGMPZLYIRM-OAHLLOKOSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1Br)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCOPBSHXQIZPPW-UNTBIKODSA-N", "SMILES:N#Cc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGRGBGFWFTEBE-XFULWGLBSA-N", "SMILES:Cl.NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXAYHHVILRBZIR-MRXNPFEDSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKZAUJQBWYEEJY-CQSZACIVSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNHRTLAITYGHT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(NC3CNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLDSCTXVNGSVBV-QGZVFWFLSA-N", "SMILES:CN(c1ccn2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)c2n1)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQCAKUAELADLJK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(NC3CCNCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWRGSNABEXHYGJ-MRXNPFEDSA-N", "SMILES:CN1CCC[C@@H](Nc2ccn3ncc(C(=O)Nc4ccc(N5CCOCC5)cc4C(F)(F)F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKRGSCFMNWWFEJ-NRFANRHFSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@H]3CN4CCC3CC4)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUNCUIZEBAAGC-HNNXBMFYSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@H]3CCCNC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZQTNNBPLIBAB-QPLCGJKRSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1cccc(OCCN(C)C)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGBLCSIQEVUSML-DQSJHHFOSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1cccc(OCCN(CC)CC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHYJIFZJCQEHU-DQSJHHFOSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1cccc(OCCN2CCCC2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHSOROBGHILJA-ZIADKAODSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1cccc(OCCN2CCCCC2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZWCFGJKBIYNJ-RQZHXJHFSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1cccc(OCCCN(C)C)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLICQBGLPVSNTG-ZIADKAODSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1cccc(OCCCN(CC)CC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAQRGDLVCVBLMB-ZIADKAODSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1cccc(OCCCN2CCCC2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZFUFDLWPBMLNG-FLWNBWAVSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1cccc(OCCCN2CCCCC2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKOLPKFZWFUQIY-QPLCGJKRSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1cccc(OCCN(C)C)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMCSDNWATVEDW-DQSJHHFOSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1cccc(OCCN(CC)CC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOZLAGPVUIHDI-DQSJHHFOSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1cccc(OCCN2CCCC2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNCNPSJQWIDSU-ZIADKAODSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1cccc(OCCN2CCCCC2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNFDNZRMNDQMU-RQZHXJHFSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1cccc(OCCCN(C)C)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZXIKSCKHPVCRK-ZIADKAODSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1cccc(OCCCN(CC)CC)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWQBCHHBBRETBU-ZIADKAODSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1cccc(OCCCN2CCCC2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYXXLYZSKNCPMN-FLWNBWAVSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1cccc(OCCCN2CCCCC2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNONXYDRRUWHAM-UHFFFAOYSA-O", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFDFDSWFJMYGX-UHFFFAOYSA-N", "SMILES:CC1(C)C(/C=C/C=C/C=C2\\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPGJMXWRRRSSK-UHFFFAOYSA-N", "SMILES:CC1(C)C(/C=C/C=C/C=C2\\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJNOPYCGURZNHU-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWXFJRYSAIKEBN-UHFFFAOYSA-N", "SMILES:NCCCCCCCCNC(=O)/N=C(\\N)NCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPJUSDGMGTAAB-UHFFFAOYSA-N", "SMILES:C=C(/N=C(\\C)NCCCc1nnc(N)s1)NCCCCCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMFCZAMEBGGRSY-JWZFBPJHSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSFAZIAACSDDW-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRPPJKCBOCDFCE-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTZZVOWEZGCKD-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJWNPRMPVLCACK-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGXIHCQPTVHLD-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJGFOCHMELDHHX-UHFFFAOYSA-O", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFVWKCMLJZPNQW-UHFFFAOYSA-O", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDHFZEZAJWAERC-UHFFFAOYSA-O", "SMILES:Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGYLSAAFQPMMU-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3cc3=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCGRAGBALWTBK-UHFFFAOYSA-N", "SMILES:O=c1cc1-c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMUYJHJORYPSD-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTRXSMRJGNVBE-UHFFFAOYSA-N", "SMILES:C#CCOC(=O)CCCCc1cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVHLEMKWLRISG-UHFFFAOYSA-N", "SMILES:O=c1cc1-c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPIIOMAQPXXPM-UHFFFAOYSA-N", "SMILES:O=c1cc1-c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQOYNOWFLKYRSY-UHFFFAOYSA-N", "SMILES:O=c1cc1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJHPAZKJWJMHN-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2ccc(F)cc2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPIGURTMXBESJ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2ccc(Cl)cc2Cl)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQHPLNXXFUCDBD-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccs2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVRVGSLEOKGLN-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)c2ccc(F)cc2)c(C(=O)O)c(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRTVMGQKKBYDEO-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCVHISIZLQGMKJ-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)c2cccs2)c(C(=O)O)c(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNIARINJEHJFAN-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OCC=C(C)C)c1)C(=O)N(C(C)c1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMXUVSGFCAGQS-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OCC=C(C)C)c1)C(=O)N(C(C)c1cccc(C(F)(F)F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYKYLCIDFAPRQI-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OCC=C(C)C)c1)C(=O)N(Cc1cccc(C(F)(F)F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHJQUAKOWKSEH-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OCC=C(C)C)c1)C(=O)N(Cc1cccc(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAALOFQAISIZHH-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OCC=C(C)C)c1)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCPCLPJMNHYNF-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2ccccc2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLWBMVPOHZUCJ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2ccc[nH]2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCRJGMPEFDQALE-UHFFFAOYSA-N", "SMILES:CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2[nH]c3ccccc3c2C(C[N+](=O)[O-])c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQUTJGZWCWWQV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2cccs2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOQFHIDDWOEMQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2ccsc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENMAPSHAVXTAX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2ccoc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUQPEYXFKLSMD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2ccco2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBLZNFDNHCELIN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2cscn2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKMPCWUJLHNMEU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2nccs2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQDXSZHVPCELKU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2cncs2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMIQMRRLMQFOM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2cc3ccccc3o2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPFBRTKQYWGAFL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2cc3ccccc3s2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIMSOHICNAFOJN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2cc[nH]c2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGNBVWJDYRFJDF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2ccn[nH]2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPLKOJBYMIJME-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2cn[nH]c2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXUFUBWYBAWEF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])CC(c1ccccc1)c1c(-c2cc3ccccc3[nH]2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIMVJLEVLGRCE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccc2C(F)(F)F)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOHQFUBIWCDWOG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(F)cc2C(F)(F)F)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFYHSPKUSJWJNY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQHVEMHBDGILIE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWGQEQGXBNGIRS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3CCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQCXURNZJAFEH-AREMUKBSSA-N", "SMILES:CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3CCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQCXURNZJAFEH-SANMLTNESA-N", "SMILES:CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3CCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSYMDUREDPDQX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccc2OC(F)(F)F)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYTPFYCHQCBPMT-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccc2OC)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFFMHCXIJHLSM-UHFFFAOYSA-N", "SMILES:CCc1ccccc1Cc1cc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGJKWNZWOOGIMZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccc2Br)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGBTARECAIYNG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccc2Cl)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJTXLIBXUQVLKA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccc2C)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWUMZNRZQYNMC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccc2)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKHYHRUQFSMIS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2cccc(C(F)(F)F)c2)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOVUCHNVVJJKB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(C(F)(F)F)cc2)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQJNXIYQVZXEY-ZWKOTPCHSA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ncc(OCCF)nc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCRFLTOHIUBPBI-RBUKOAKNSA-N", "SMILES:COCCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFHTVUWPJXLOW-VQTJNVASSA-N", "SMILES:Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKENLPZVPNVYQW-DLBZAZTESA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ncc(OCC(F)(F)F)nc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNQDQUYJFDVLS-RBUKOAKNSA-N", "SMILES:Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFUDQUXHDFJQT-RBUKOAKNSA-N", "SMILES:Cc1cc(C#N)cnc1C(=O)Nc1cc([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHTZVIDMVHFLLF-ZWKOTPCHSA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ncc(C#N)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIIPGZITGHTPU-ZWKOTPCHSA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ncc(C#N)cc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJQNRYLSRMQDA-ZWKOTPCHSA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ncc(OC(F)F)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKAFGKWERJHKK-DLBZAZTESA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBBWFNMHDUTRH-DLBZAZTESA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNLNFTQJIYFRSH-DLBZAZTESA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ncc(C(F)(F)F)cc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQALVJHHCENTE-JKSUJKDBSA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ncc(C(F)(F)F)nc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILEZCIMECSOYKF-QLMRCLNASA-N", "SMILES:CC[C@@H](C(=O)OCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C)[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJBCHJOJTIVKFE-DBWYGZSJSA-N", "SMILES:CC[C@@H](C(=O)OCCOCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C)[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUOSJXYLRSZRR-QLMRCLNASA-N", "SMILES:CC[C@@H](C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C)[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWYHNHXZQCFVTC-MVTSGULPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQFWNFLOYRPGC-QUNVVSSUSA-N", "SMILES:C=C1C(=O)O[C@@H]2/C=C(\\C)[C@@H](O)C/C=C(\\C)C[C@@H](OC(=O)/C(=C\\C)COC(C)=O)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQAWDKQOLJURMN-DUROQTLYSA-N", "SMILES:C=C1C(=O)O[C@@H]2/C=C(\\C)CC/C=C(\\C)C[C@@H](OC(=O)/C(=C\\C)CO)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL521162", "category": ["biolink:ChemicalEntity"], "name": "DEACETYLEUPASERRIN", "xref": ["InChIKey:JZJVLLYTTWUPBF-CKHXMIEZSA-N", "SMILES:C=C1C(=O)O[C@@H]2/C=C(\\C)C[C@H](O)/C=C(\\C)C[C@@H](OC(=O)/C(=C\\C)CO)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5079023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSDRJQBPKZSPG-BEOZCQINSA-N", "SMILES:C=C1C(=O)O[C@@H]2/C=C(\\C)CC/C=C(\\CC(=O)O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQRZANUHUNAHR-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGALGSSHPNBDBE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCCBDBBWCRUQP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHJBEIHMXXZCW-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWIRTMBHZPAEV-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccc(C)cc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYECUPHNKNUHIN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2c[nH]c3ncc(-c4cccc(C#N)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDCBKAMTBOVBEO-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(OC)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHXHRXYVHKOTHP-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEYYTWZEEGCSJQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cnc3[nH]cc(-c4cncnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWSRXNAKBWVSW-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZHRICWZECSYJT-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZRVQGICHAZQHW-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZLKRUVAUEQFU-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc([N+](=O)[O-])c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUYTRQRQFFKFH-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZZNRAHJDTKAL-MRXNPFEDSA-N", "SMILES:CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJSBPAZKQYZPAE-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJSBPAZKQYZPAE-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMGXAJVWWFLCY-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMGXAJVWWFLCY-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZZNRAHJDTKAL-INIZCTEOSA-N", "SMILES:CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFHCXNQPYQRFI-QGZVFWFLSA-N", "SMILES:CC(C)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFHCXNQPYQRFI-KRWDZBQOSA-N", "SMILES:CC(C)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGBARZZIIDDAZ-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGBARZZIIDDAZ-INIZCTEOSA-N", "SMILES:C[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVSOTHSTUMFCM-REMYHPOOSA-N", "SMILES:C/C=C/CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVSOTHSTUMFCM-IDOMTICXSA-N", "SMILES:C/C=C/CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URLKBSWMVHJNHY-GOSISDBHSA-N", "SMILES:CC(C)=CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URLKBSWMVHJNHY-SFHVURJKSA-N", "SMILES:CC(C)=CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJFLQGUKMCVUMZ-MRXNPFEDSA-N", "SMILES:CC(C)C(=O)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJFLQGUKMCVUMZ-INIZCTEOSA-N", "SMILES:CC(C)C(=O)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTBPCWKZJLWHI-OAHLLOKOSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTBPCWKZJLWHI-HNNXBMFYSA-N", "SMILES:CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZPGKAQAVZXIX-MRXNPFEDSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZPGKAQAVZXIX-INIZCTEOSA-N", "SMILES:CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLWYFXIKIPVWHJ-QGZVFWFLSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLWYFXIKIPVWHJ-KRWDZBQOSA-N", "SMILES:CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIZSRVUVVGWCN-MRXNPFEDSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIZSRVUVVGWCN-INIZCTEOSA-N", "SMILES:CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USANDOAEVNQHRL-GOSISDBHSA-N", "SMILES:CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USANDOAEVNQHRL-SFHVURJKSA-N", "SMILES:CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTLXFAELPEGKX-GOSISDBHSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTLXFAELPEGKX-SFHVURJKSA-N", "SMILES:CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNNIAGURKGWAO-LJQANCHMSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNNIAGURKGWAO-IBGZPJMESA-N", "SMILES:CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEFEZRIUOWLMH-QGZVFWFLSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEFEZRIUOWLMH-KRWDZBQOSA-N", "SMILES:CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDHFDLLWZBOLO-OAHLLOKOSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDHFDLLWZBOLO-HNNXBMFYSA-N", "SMILES:CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYCVFUGCROLXMH-QGZVFWFLSA-N", "SMILES:CCC(=O)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYCVFUGCROLXMH-KRWDZBQOSA-N", "SMILES:CCC(=O)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@@H]1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWPUFVVEGJNEV-GOSISDBHSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWPUFVVEGJNEV-SFHVURJKSA-N", "SMILES:CC[C@H]1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWKTSCVLQCETR-VMTMEKHOSA-N", "SMILES:C=C1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@@]2(C)[C@@H]1C/C=C1/C(O)OC[C@H]1O[Si](CC)(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZNXXJDPKHIIEM-WJHBIUKOSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C(/COC(C)=O)[C@@H](COC(C)=O)O[Si](C)(C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJVYMUQUMHCHD-NLCSFQSBSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C(/COC(C)=O)[C@@H](COC(C)=O)O[Si](C)(C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZPKOFCOGHTFJ-IAISGKSGSA-N", "SMILES:C=C1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@@]2(C)[C@@H]1C/C=C(/CO)[C@@H](CO)O[Si](CC)(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBZTERMOLKNQG-DYVNKKAOSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(O)OC[C@H]1O[Si](C)(C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYJLEJSXCXJOMG-GMBWFVAASA-N", "SMILES:C=C1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@@]2(C)[C@@H]1C/C=C(/C=O)[C@@H](COC(C)=O)O[Si](C)(C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPUQFUDTRFZDQ-XAGNKJTJSA-N", "SMILES:C=C1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O[Si](CC)(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUPLLATCGWWNP-MWOZDUBJSA-N", "SMILES:CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJPRZPOIXMISSI-PDXWSVEKSA-N", "SMILES:CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKUQNPULUQDCMS-XFQWPLCWSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFZRMRUMBKVJQ-JDGSVOMQSA-N", "SMILES:CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZEKPERUEWEVSS-QOEXFKEZSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAGZHNHHXCZDH-XUTHUYCTSA-N", "SMILES:CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2cc(C)c(O)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGLIXDWRFHOIHI-XUTHUYCTSA-N", "SMILES:CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2cc(C)c(O)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZGFKMMELMVQQF-VDYROPKHSA-N", "SMILES:CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2cc(C)c(O)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXIMWGIJSAJOAU-VDYROPKHSA-N", "SMILES:CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2cc(C)c(O)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJEUERNNQHNSKG-CCKFTAQKSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPERDMXQKOFCQT-JMBSJVKXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL281594", "category": ["biolink:ChemicalEntity"], "name": "VANOXERINE", "xref": ["InChIKey:NAUWTFJOPJWYOT-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1"], "synonym": ["Vanoxerine", "Vanoxerina", "Vanoxerine", "GBR 12909", "GBR-12909"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZALHHVHVSYGWSU-WHFYOBHJSA-N", "SMILES:CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECZRRKXBHFWJV-XZCBWCRCSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)CCCCC[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULBSNXJOUAKAW-NPBADNRJSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C/C=C\\CC[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOGGOSVXGDATF-QCCYXRBGSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)CCCCCC[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSEGZCMVINWVOO-OUKXEPDSSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)CC/C=C/CC[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSEGZCMVINWVOO-WXTHAFNCSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)CC/C=C\\CC[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIZIOOIAYAYAT-KSZOWJIZSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)OCCCC[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGZAJFOMLZZJG-YGOOPTNBSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)OC/C=C/C[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGZAJFOMLZZJG-KURZDVRXSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)OC/C=C\\C[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIZIOOIAYAYAT-GGESVUCPSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@H](C)OCCCC[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGZAJFOMLZZJG-BUGYKXCZSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@H](C)OC/C=C/C[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGZAJFOMLZZJG-YUFQOSBYSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@H](C)OC/C=C\\C[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGMEUVQMISROQ-FPDJOHNTSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)(C)OCCCC[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTHIGXAFROGAR-CTTVLEHMSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)(C)OC/C=C\\C[C@@H]([C@H](O)CNc2ccc(C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYZVMORDWKALHW-MPJDBJFZSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)(C)OCCCC[C@@H]([C@H](O)CNc2ccc(CC(=O)O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSSIDGWPXKPAPN-JTSDAKNZSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)(C)OC/C=C\\C[C@@H]([C@H](O)CNc2ccc(CC(=O)O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYGIFGIMDHXOZ-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(OCC(=O)NCCCOCCOCCOCCCNC(=O)COc4ccc(-c5cc(C(F)(F)F)c6c(N)c(C(=O)Nc7ccc(F)cc7)sc6n5)cc4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCOHICFQSDMIFA-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(OCC(=O)NCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZFWIBLELTEAS-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(OCC(=O)NCCCOCCOCCOCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOJOGCBXJWNLQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPIQYGBVMFOQNU-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(OCC(=O)NCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAMKNIGHNZRGJK-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(OCC(=O)NCCCOCCOCCOCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDYHQHRWIHCHDC-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(OCC(=O)NCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYYLZIEGHMVHI-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(OCC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJKNPIHDXOYEKP-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(OCC(=O)NCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBYOSCKWRUOEZ-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(OCC(=O)NCCOCCOCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFQNQPMGAHQTL-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(N(C)c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOJUGDRCVJUBPN-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRDZYPGUYLQDHG-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1Cc1ccc(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCNKBUTFBWCRS-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCCURFGKZJMHU-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTPCIHKNYGCNQV-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1Cc1ccc(OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAKYTXYAGBFERQ-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEEKXOGEUVTDDR-JOCHJYFZSA-N", "SMILES:CCOc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](CC)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZWZBLTWUJCMSR-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC(C)C)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHGSPHRICZCTB-RUZDIDTESA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC3CCCC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHLUXFFYVNFYEN-OAHLLOKOSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKIJBHBGDDEGH-MRXNPFEDSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1N(C)c1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVLFJXYETXJBN-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(Cc4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIWZPLTJFWCLG-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCc4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTKGBRUVUGNNDZ-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(CC(=O)NCc4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFWNIHAHFERFC-IRCUZVAFSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(C)c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHRBCXAUBZDLIY-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cccc(-c4nc5c(C(N)=O)cccc5[nH]4)c3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOYNHNUMNLTJK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJRSRHAWEMYUSP-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZBGMQJCOAGOAZ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZDJBJCDAUEKQB-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(OC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYOEJXXOISPJX-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEBSNRLAVKCSV-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPXPHSTLAJPSK-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPAWIBUDSFBBFI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBRFFMMIQNWEV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWAKJKCVAYLAME-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOAVAABHFXLULI-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIOPGPLZVQXDP-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGJFZJFROCKIOO-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFYSWGPLALYPY-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGXMUWPMYMGDZ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRRYOAYUQRHPGL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINWBCGQSAZMGF-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1501198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEYFCLMEVATXCA-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIXYTDRUAOYHDW-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVGKWFLDSGQFQ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1358317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQXKCCKBHZXPI-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZHZVOBZZNWAFB-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGHYNDCDORYHON-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3nccc(C#N)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOSQLLQRPNBFQS-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ncc(Br)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJMEMICGLQMGX-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3nccc(Cl)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPTXILPEPSAYFP-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3cnc(C#N)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVNLAQKHOHQTMB-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3cnc(C#N)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDKOIUPXXCKCJ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3cnc(C#N)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZABUHCOUTMKPGC-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3cnc(Cl)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZUDQCYVBJSODI-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGWDVWIZDPGCFG-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSKDODVTPLNVBZ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOLUVANADLONF-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLRDMRXCXBJGDL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(OC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEOQKKZUWWMTJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCANUEBDFNBUDW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVEIDYMCCJERQO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKNIZGHFBGOOFQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHIMIGQVSUHBN-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADUZPUBVSIMFQU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNXIJSEWOBTKX-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOYIGOHIUMPXRG-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDVDMPPVRJAHER-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRFRKMJIIPABAF-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSNDJYDJTIEUPX-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYGKPYKLGLHDHB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHJBSXLZRKKXJS-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVAIUUXXNISRK-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXYPFYAYZHGEC-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3Cc2ccccc2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAMPXCVWNHZDN-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3Cc2cccc(F)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGFXPFKYIUQPP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)ncn2Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHUJQRVFWZQQE-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2ccc3c(c2)ncn3Cc2cccc(F)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYNGTIHYKLWGF-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(cnn2Cc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBOZPAZZRCIEN-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2ccc3c(cnn3Cc3cccc(F)c3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRSWMILBFNCKZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(ccn2Cc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOIAUTHANNJTPY-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBXRSNIUUJOGQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(CNC(=O)c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVQEDHOKLQQAY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXAORZGRGUERN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NONHTXRHOREFAH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(NS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2c(ccn2Cc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZOPJRATKZKNS-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1C(F)(F)F)c1ccc2c(ccn2Cc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKJBJFFRPWGESY-UHFFFAOYSA-N", "SMILES:CSCc1ccc(CNC(=O)c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKIWPKRSVMKBA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITJOSAAZGKMSOI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCDOANRIHKKFHY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZFLPZOJKGYSH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJAYXGRULEEQH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3[nH]ccc3c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTALJZKGMWQYHH-UHFFFAOYSA-N", "SMILES:CC(c1cccc(F)c1)n1ccc2cc(C(=O)NCc3ccc(CS(C)(=O)=O)cc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHIVINZFCKUKLX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(ccn3C(=O)c3cccc(F)c3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGNSMAVUQZRFP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(ccn3S(=O)(=O)c3cccc(F)c3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHUBZKOKSPABBB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPZDRPAVHKAOFN-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZKUWWXZBPLCH-UHFFFAOYSA-N", "SMILES:CCn1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJOJQWFVZWXLMT-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYCAEUGQRYNEKK-UHFFFAOYSA-N", "SMILES:CC(C)Cn1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRYQLOEVCPEIV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2c(ccn2CC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCJVWLPNQNWSH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2c(ccn2CC(C(F)(F)F)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOQJTPYSYFSHB-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)n1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQAXEAKXGRYJA-UHFFFAOYSA-N", "SMILES:COCCn1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQDFOLVXFVQLW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2c(ccn2CC2COC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCRJHWXPJEYGR-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGKFMWOCFKOCR-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cn1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USVZBJGUCQFZLP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2c(ccn2S(=O)(=O)c2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFKAORAIOHHVSN-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc2n1Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEOGRXZNHYDQY-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc2n1S(=O)(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUPWIBZGGFVBCU-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2ccc3c(n2)[nH]c2ccncc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARAVLRTWBASVPT-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cc3[nH]c4ccncc4c3cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDFSWMMBBXMHZ-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cnc3c(c2)[nH]c2ccncc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBIRDPBZVUKDOX-UHFFFAOYSA-N", "SMILES:Fc1ncccc1-c1ccc2c(n1)[nH]c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEZLVHJCRYLRC-UHFFFAOYSA-N", "SMILES:Fc1ncccc1-c1cc2[nH]c3ccncc3c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHATIIPPJXNIK-UHFFFAOYSA-N", "SMILES:Fc1ncccc1-c1cnc2c(c1)[nH]c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPPBTMLJURSUQU-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2ccc3c(n2)[nH]c2cccnc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMISARFXQADPDX-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cc3[nH]c4cnccc4c3cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKKJWNYETZRMA-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cnc3c(c2)[nH]c2ncccc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBHTJOTOLPEJK-UHFFFAOYSA-N", "SMILES:Fc1ncccc1-c1ccc2c(n1)[nH]c1cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVDOTKDOIKAKK-UHFFFAOYSA-N", "SMILES:Fc1ncccc1-c1ccc2c(n1)[nH]c1cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPSQAPCJHLZFPT-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2ccc3c(c2)[nH]c2ccncc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGSYTWVTYRURB-UHFFFAOYSA-N", "SMILES:Fc1ncccc1-c1ccc2c(c1)[nH]c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZEZSALLNCVUHE-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2nc3[nH]c4ccncc4c3s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYSHUOMEMCKYCI-OAHLLOKOSA-N", "SMILES:O=C1c2ccccc2C(=O)c2cc(OC[C@H](O)Cn3cnc4ccccc43)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1452338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPOVMZLCXNDCU-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc(-c2ccccc2)nc2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDRCNVTNZMZAI-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYPUHVRVVLWMA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(NCc3ccc(Cl)c(Cl)c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFQYAASIUHLEDX-FQEVSTJZSA-N", "SMILES:Cc1c(O[C@H](C(=O)O)c2ccccc2)ccc2c1oc(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFANJJFRHIHHE-UHFFFAOYSA-N", "SMILES:O=C(c1cc(=O)[nH]c2ccccc12)N1CCc2[nH]c3ccccc3c2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5078362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWWUNJGSUEYJK-PYSDWBMZSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCNC[C@@H](C(=O)N2CCN(c3ncnc4c3[C@H](C)C[C@H]4O)CC2)c2ccc(Cl)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMLFGZYEQAMKRK-SCQVZNLVSA-N", "SMILES:C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c4ccc(Cl)cc4)CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWWUNJGSUEYJK-VYTHLTJUSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCNC[C@@H](C(=O)N2CCN(c3ncnc4c3[C@H](C)C[C@H]4O)CC2)c2ccc(Cl)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZKRBIRXPPITK-MQSABZPESA-N", "SMILES:C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)N(C)C4=O)C5=O)c4ccc(Cl)cc4)CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYNKRKRUZOVBP-QBFSEMIESA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXDDGFPJOLDSN-OWBHPGMISA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(C(=O)Nc2ccccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDGNKYCCGVLES-OWBHPGMISA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(C(=O)Nc2ccccc2Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNTZIVFMQTYTG-QBFSEMIESA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(C(=O)Nc2c(F)cccc2F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIFCHHDRNCDKHV-QBFSEMIESA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(C(=O)Nc2c(F)cccc2Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJLNJARTWBJCRG-QBFSEMIESA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(C(=O)Nc2c(Cl)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKESXSDMTWNWSO-LUAWRHEFSA-N", "SMILES:COc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)Nc1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUBQTWDSITBDX-LUAWRHEFSA-N", "SMILES:COc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)Nc1c(F)cccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVOQSLJUSJNPDB-BENRWUELSA-N", "SMILES:CCOc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)Nc1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBUGASVOVNMRC-BENRWUELSA-N", "SMILES:CCOc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)Nc1c(F)cccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLLDMMUKZBEJMW-BENRWUELSA-N", "SMILES:CCOc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)Nc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIDNHWHAWYEYKL-JMZICWNOSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACBNYNTXZICHR-JMZICWNOSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOGOSKVKPVYJH-JMZICWNOSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPZNJJMGOHWLOX-JMZICWNOSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(Cl)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLTHKTHENWGQEJ-JMZICWNOSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(Cl)cccc2Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBFUQHTVLPTWOP-JMZICWNOSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(Br)cccc2Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOPZOTGJAKAEOD-OWBHPGMISA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(C(=O)Nc2ccccc2F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVWPCROIBVLMRH-VBKFSLOCSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(C(=O)Nc2cccc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTFRRAHCPRZUSN-LGMDPLHJSA-N", "SMILES:COc1cccc(NC(=O)c2cc(F)c(NC(=O)/C(C#N)=C(/C)O)cc2OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUUJBCXSXQDYMP-KAMYIIQDSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COAIZNPAUAJIAS-QINSGFPZSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(=O)Nc2c(F)cccc2F)c(OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWKIUDJCFOJKY-NTMALXAHSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTAMOYZCZPHBKO-LUAWRHEFSA-N", "SMILES:COc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)Nc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPMSUQAZHIDSF-BENRWUELSA-N", "SMILES:CCOc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)Nc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPYUSOGOTSIEDV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)N4CCOCC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKZCDCYFSCYIA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)N4CCOCC4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYADGZOWAYAPAA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)NCC4CCOCC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPCXXRAAIICRX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(Br)c(OCC(=O)NC4CCN(C)CC4)c(Br)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMVPZOSDYROOR-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)NC4CCN(C)CC4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZIZEHNJORUWAE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)N4CCN(C)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHVGSWTVMUHATF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4cc(OC)c(OC)c(OC)c4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNSHYMHNJOOIV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4cc(OC)c(OC)c(OC)c4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUSRNXXSKRNNJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4nc5ccccc5[nH]4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIKZPPDNHPYRY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJVIYZLMFRJRP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVRABNFDZBFAT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4ccc(N5CCN(C)CC5)cc4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCLXOGHQKYSPJZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4cccc(N5CCN(C)CC5)c4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOTSSGVIFOLJFQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(Br)c(OCC(=O)Nc4ccc(N5CCN(C)CC5)cc4)c(Br)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYIWXVFBNDDNJK-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4ccc(N5CCN(C)CC5)cc4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPJQQANSAIPON-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4cccc(N5CCN(C)CC5)c4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABMPIXUXOCQMJL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4ccccc4N4CCN(C)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAXNHBLSINXCLN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4ccc(N5CCOCC5)cc4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVUXKTDKQYJITC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4cccc(N5CCOCC5)c4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVHXHKNPFTWCHB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(Br)c(OCC(=O)Nc4ccc(N5CCOCC5)cc4)c(Br)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRSMGKPKKNUJLD-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4ccc(N5CCOCC5)cc4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZZWYJNKDCBAY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4cccc(N5CCOCC5)c4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFLKKRAIXOHMF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4ccc(N5CCCCC5)cc4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNZWCZDVKDMSG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(Br)c(OCC(=O)Nc4ccc(N5CCCCC5)cc4)c(Br)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKMCDBLRUJGPW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4ccc(N5CCCCC5)cc4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMMZJXYEUCJLTQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4ccc(N5CCCC5)cc4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBAPDGVGJNBOPU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4ccc(N5CCOCC5)c(F)c4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJUTDVXLVNGTD-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4ccc(N5CCOCC5)c(F)c4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMKRGLNKIYRJI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4ccc(N5CCN(C)CC5)c(F)c4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSFBPFSZOQCOT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4ccc(N5CCN(C)CC5)c(F)c4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWCUBDJHDWTFV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4ccc(N5CCN(C)CC5)c(Cl)c4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKTGIRORJONHNL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4ccc(N5CCN(C)CC5)c(Cl)c4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFQRDPTVGQYLX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(Br)c(OCC(=O)Nc4ccc(N5CCOCC5)c(Cl)c4)c(Br)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTMDTLHYLRMIY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4ccc(N5CCOCC5)c(Cl)c4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFYNVOUNUJKXQE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCC(=O)Nc4ccc(N5CCOCC5)c(Cl)c4)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPVGFMNPXBRZDB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)COc3ccc(-c4nc5cc(F)ccc5c(=O)[nH]4)cc3)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBYLALPRKJRBS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)[nH]c(-c3ccc(OCC(=O)Nc4ccc(N5CCN(C)CC5)c(Cl)c4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKDLGJYJBBOAHB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)COc3ccc(-c4nc5cc(Cl)ccc5c(=O)[nH]4)cc3)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUCSJVYYQQDHK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)COc3ccc(-c4nc5ccc(Cl)cc5c(=O)[nH]4)cc3)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQUYXDNGWRSVGP-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(OCC(=O)Nc4ccc(N5CCN(C)CC5)c(Cl)c4)cc3)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFYUSIMGVHJRFW-XEZODYMFSA-N", "SMILES:N=C(N)N[C@H]1CC[C@H](CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc2ccc(OCCCCS)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQHDBBOTIYOYLF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENWKQHIOIEAII-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVCJPDYCCNDLJ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1COC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYOMPPOEBPYPT-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)N1CCOCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPDALRKJRELDR-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)N1CCCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTCBNPULJWGSML-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3662226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSBYUWHBUZLDDL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C(c3ccccc3)c3ccccc3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGMRZRHSRQQFG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXSUVSBDUZCGLP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3ccccc3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCDGFNMFBCJAB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKLFTDOPHVNBBI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNYOQCRJJMAOZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKHDDBRKQAIROO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SREGSGWKZFYIDY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWAURGCHFYCYPQ-UHFFFAOYSA-N", "SMILES:CC(C)(c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOAHIZWCZOILH-OAHLLOKOSA-N", "SMILES:C[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOAHIZWCZOILH-HNNXBMFYSA-N", "SMILES:C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWHIOZLJRYWMC-XKAFMRQESA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccc(cc2)OC/C=C/COc2ccc(cc2)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZILEFXTOWOQD-XKAFMRQESA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)OC/C=C/COc2ccc(cc2)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQQBAGWGZGDSP-XKAFMRQESA-N", "SMILES:CC(=O)N[C@H]1Cc2cccc(c2)OC/C=C/COc2ccc(cc2)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVNAPSOFKJDBJ-XKAFMRQESA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)OC/C=C/COc2cccc(c2)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAQMDKRBUIPZGX-KQDJBJGBSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2cccc(c2)OC/C=C\\COc2cccc(c2)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLCWJSWQNYBAQE-XKAFMRQESA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2cccc(c2)OC/C=C/COc2ccc(cc2)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSKEQRAMVWQBB-XKAFMRQESA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccc(cc2)OC/C=C/COc2cccc(c2)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHIBTMMMWWTHTQ-XKAFMRQESA-N", "SMILES:CC(=O)N[C@H]1Cc2cccc(c2)OC/C=C/COc2cccc(c2)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GASXZKAGQYGRIY-BFGQYTERSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRXXULLKGLUTDC-ZBLUHYOBSA-N", "SMILES:C=CCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(=O)N[C@@H](Cc2ccc(OCC=C)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHZQVQEHHCRSK-ZBLUHYOBSA-N", "SMILES:C=CCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(=O)N[C@@H](Cc2cccc(OCC=C)c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BONKRSIPIQDBOH-ZBLUHYOBSA-N", "SMILES:C=CCOc1ccc(C[C@H](NC(=O)[C@H](Cc2cccc(OCC=C)c2)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSMUYJVHVQEZJB-ZBLUHYOBSA-N", "SMILES:C=CCOc1cccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(=O)N[C@@H](Cc2cccc(OCC=C)c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBWGBIRZJQJNIK-ZBLUHYOBSA-N", "SMILES:C=CCOc1ccc(C[C@H](NC(C)=O)C(=O)N[C@@H](Cc2ccc(OCC=C)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKRWQDPTKEOMH-ZBLUHYOBSA-N", "SMILES:C=CCOc1ccc(C[C@H](NC(C)=O)C(=O)N[C@@H](Cc2cccc(OCC=C)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYOVVWDVJZQZNO-ZBLUHYOBSA-N", "SMILES:C=CCOc1ccc(C[C@H](NC(=O)[C@H](Cc2cccc(OCC=C)c2)NC(C)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQFRXMYUQHLBAX-ZBLUHYOBSA-N", "SMILES:C=CCOc1cccc(C[C@H](NC(C)=O)C(=O)N[C@@H](Cc2cccc(OCC=C)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSEHGYKYTPIANE-FQLXRVMXSA-N", "SMILES:O=C(NCc1ccc(F)cc1)N1C[C@H](c2ccccc2)N2C(=O)OC(c3ccccc3)(c3ccccc3)[C@H]2C1"]}
{"name": "Neuropeptide S receptor", "xref": ["CHEMBL.TARGET:CHEMBL5497"], "id": "UniProtKB:Q8BZP8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSIVAGLKFFNJAG-UHFFFAOYSA-N", "SMILES:N=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCOVERZAXMBJJ-UHFFFAOYSA-N", "SMILES:N=C(NCc1ccccc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXHPZIGJKUBQD-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDVHRSGXUCLGA-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2)(c2ccccc2)C2CN(C(=S)NCc3ccccc3)CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZUSBFCKVCTNEP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC3(CCCCC3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXPOTRKRPHBQE-XZWHSSHBSA-N", "SMILES:O=C(NCc1ccc(F)cc1)N1C[C@H](Cc2ccccc2)N2C(=O)OC(c3ccccc3)(c3ccccc3)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLOKSXKTMLJQAA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1(c2ccccc2C)OC(=O)N2CCN(C(=O)NCc3ccc(F)cc3)CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INQSKTYNZRMBEB-NLERVIMMSA-N", "SMILES:CCC(C)[C@H]1CN(C(=O)NCc2ccc(F)cc2)C[C@H]2N1C(=O)OC2(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSHOAAPQBAALR-CLJLJLNGSA-N", "SMILES:CC(C)[C@H]1CN(C(=O)NCc2ccc(F)cc2)C[C@H]2N1C(=O)OC2(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVEAAWPWYUNAHZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(c3ccc(C)cc3)OC(=O)N3CCN(C(=O)NCc4ccc(F)cc4)CC32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGFIDMXTTWQTGS-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGSYAIYFYUIUEA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccc(F)cc3)(c3ccc(F)cc3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFZDWHROHBVMMQ-YADARESESA-N", "SMILES:C[C@H]1CN(C(=O)NCc2ccc(F)cc2)C[C@H]2N1C(=O)OC2(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFRQIPRTNYHJHP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1"]}
{"name": "Neuropeptide S receptor", "xref": ["CHEMBL.TARGET:CHEMBL5162"], "id": "UniProtKB:Q6W5P4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSIEPNWFYPGLK-KZHWKFAQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1C)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQZMWQUPQOTURD-IIGMLCGFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIUAOGNUTRDHMM-LWYXPJSDSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDRLNWQCYOJTC-FRDCHLOISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUUSFVRBANQUFS-UWYSRRSDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUZPGYINIIYVQJ-UWYSRRSDSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPZAONWNSIVPKB-IKHRJUQUSA-N", "SMILES:CCC(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKAZGYIFKZVQES-PUDBXAEWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNKKTXOAXLTNGL-AJJRQXSTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGGHWDMCCUUGOG-ISOZDLAKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQODAFIADMIKMM-HZUWFINWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSDXGCRAQBOAM-KYICLNLWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESKAMMRUISUNH-KYABCANWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIYLLMRKIXYFDD-BVNNVNILSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSWOUBMECZHEIK-BVNNVNILSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1628690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYCRDPLPKGSME-AWEZNQCLSA-N", "SMILES:C[C@H](N/C(=N/C#N)Nc1cccc2ncccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPQIEDRTXLBES-HNNXBMFYSA-N", "SMILES:O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1sc(-c2ncccn2)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPQIEDRTXLBES-OAHLLOKOSA-N", "SMILES:O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1sc(-c2ncccn2)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYBCCWNSOWQCCF-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCCCC1)c1cn(CCO)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLLGHUYWWIUQZ-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1Cl)NC1COc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZDXUPOKGWEQE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZWAGTUJSFJEL-UHFFFAOYSA-N", "SMILES:O=C(NCC1(O)CCC(F)(F)CC1)c1cc(-c2ncc(F)cn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5498461", "category": ["biolink:ChemicalEntity"], "name": "E133"}
{"id": "CHEMBL.COMPOUND:CHEMBL5088541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPPUCDCZRFXKD-UHFFFAOYSA-N", "SMILES:COc1cc(CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIAUOFBPIZNSLU-UHFFFAOYSA-N", "SMILES:COc1cccc(CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFPUTJZUAQYFR-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVWLKHFEAAHNIO-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(CCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPYQOCREQEZQX-UHFFFAOYSA-N", "SMILES:COc1cccc(CCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWLKJVPQVBZOR-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(O)cccc1CCCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTLZVAZBOEBJY-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(O)cccc1CCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHRPEZRIYKIIFR-UHFFFAOYSA-N", "SMILES:Oc1cccc(CCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXDDKQXHQWPKJR-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(CCCCCCCCNc2c3c(nc4ccc(OC)cc24)CCCC3)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUNLVMXZSXJHV-UHFFFAOYSA-N", "SMILES:COc1cc(CCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQOQTVQIUOOKP-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(O)cccc1CCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVWIWZWCXBMOJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(O)cccc1CCCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWOVBPBKUPCUET-UHFFFAOYSA-N", "SMILES:Oc1cccc(CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSIYTVBWWROBPT-KRWDZBQOSA-N", "SMILES:C[C@@]1(c2cccc(NC(=O)c3ccc(Br)cn3)c2)CCSC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3653401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXUKTXRJOFQHLP-ZWKOTPCHSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3653404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MONBOQDZSLNZSN-DLBZAZTESA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ncc(Br)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3653403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSZDQDUDHWUQCJ-ZWKOTPCHSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ncc(C#N)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3653405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKUHRBKUHLJDI-RBUKOAKNSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDZDVNVGBBGHLD-RBUKOAKNSA-N", "SMILES:Cc1nc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRSOCCYHCESGJ-RBUKOAKNSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ncc(C#N)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGBNYYCTJVZIKG-RBUKOAKNSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ncc(C#N)cc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGKJKZFNUCFCQA-VQTJNVASSA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPXAOWJBUFQFX-VQTJNVASSA-N", "SMILES:Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZXJCCRJQZNHV-RBUKOAKNSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ncc(OC(F)F)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFRZWTUDQUJIOZ-ZWKOTPCHSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3653341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HALWMQVNBCAXRZ-KRWDZBQOSA-N", "SMILES:C[C@@]1(c2cccc(NC(=O)c3ccc(Br)cn3)c2)COCC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3653393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWWAZUFXKKZKCD-UHFFFAOYSA-N", "SMILES:CC1(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)COCC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNDEESWZOXXLA-ROUUACIJSA-N", "SMILES:C[C@]1(C(F)(F)F)OC[C@@](C)(c2cccc(NC(=O)c3ccc(Br)cn3)c2)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3653399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNDEESWZOXXLA-ZWKOTPCHSA-N", "SMILES:C[C@@]1(c2cccc(NC(=O)c3ccc(Br)cn3)c2)CO[C@@](C)(C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVRRSLQNYJZXJI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)CCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1587999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZLYZQUYIQGGOQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCC(=O)CCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5081410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFHNLIBCDSPTA-ODPSWQPZSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXRFYGHQMVCGG-PECUCFMDSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZVCGWLUOIURC-HSPIWKBPSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVWKAZWAKYPEFG-FUMMPRLDSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSBAAQZGIIKLRQ-YUPYSCENSA-N", "SMILES:C[C@H](N)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHFLGRXDMPWCU-AOALLVCUSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(OS(=O)(=O)O)cc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZXDJCHURZNMKE-JROJWFROSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSSC[C@H]2NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCALPUXMJFFAV-PRJNJZJZSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVHNTGPBGVBFQ-QVSSDPGQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJYMBMDTVAYQHZ-HVKKXNSXSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccc(OS(=O)(=O)O)cc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKYCGXHQIHCIJ-JFJPMHKVSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDNPRHGKNWOFG-DGGHJAQHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJGNBOJTZSJFK-MBQKEYIPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWUGWDUNIAZWII-WSGRRRFBSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIKMSOHWSGWCNX-VAYQAVKTSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCALPUXMJFFAV-RPBSULSISA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNKOYSHMDJWCQ-LQJZCPKCSA-N", "SMILES:CCN(CC)C(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVGIFHDCHFYUMA-YTCPBCGMSA-N", "SMILES:O=C1CCc2cccc(c2)OCCCC[C@@H](C(=O)NCc2ccccc2F)NC(=O)[C@H](CC(=O)N2CCC[C@@H]2C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVGIFHDCHFYUMA-AWCRTANDSA-N", "SMILES:O=C1CCc2cccc(c2)OCCCC[C@@H](C(=O)NCc2ccccc2F)NC(=O)[C@H](CC(=O)N2CCC[C@H]2C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASAXYLHILDRECZ-XFCANUNOSA-N", "SMILES:O=C1CCc2cccc(c2)OCCCC[C@@H](C(=O)NCc2ccccc2F)NC(=O)[C@H](CCN2CCC[C@@H]2c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWJCQSNKTVANX-VMPREFPWSA-N", "SMILES:O=C1CCc2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)NCc2ccccc2F)NC(=O)[C@H](CC(=O)N2CCCC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCKNOFAWSWHKKX-SHTZXODSSA-N", "SMILES:CC(C)C#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFBQHGPTKWOJB-SHTZXODSSA-N", "SMILES:CC(C)(C)C#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGFYZNPAXTVLTD-WKILWMFISA-N", "SMILES:CC(C)CC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZXRTUPPMIMREQ-WKILWMFISA-N", "SMILES:CCCCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOCLICXONLUKQ-SHTZXODSSA-N", "SMILES:NC(=O)c1cc(C#CCCCCl)ccc1N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGQKZSDHDTPML-QAQDUYKDSA-N", "SMILES:CC(C)CCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTNLQYZYIQIQA-SHTZXODSSA-N", "SMILES:NC(=O)c1cc(C#CC2CC2)ccc1N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENZZXCEHAQVMN-QAQDUYKDSA-N", "SMILES:NC(=O)c1cc(C#CC2CCCC2)ccc1N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URKRFARZBBXIFH-IYARVYRRSA-N", "SMILES:NC(=O)c1cc(C#CC2CCCCC2)ccc1N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOURQJQEDNHMDC-SHTZXODSSA-N", "SMILES:CN(C)CC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGDXIHGWTVBMX-WGSAOQKQSA-N", "SMILES:CC(C)c1ccc(-c2ccc(N[C@H]3CC[C@H](O)CC3)c(C(N)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGGBKQMSJMIEI-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCCO)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRMSBPCLRHCDH-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCCOC)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLAUAKODCXATA-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCCOCC)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXSAKUTEXYLSF-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCCCO)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXGKTHADWHRIHG-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCCCOC)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZCBEWUCBROKB-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCCCOCC)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOIDAKDKAGHEPT-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCCNC(C)=O)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWIRMCWPUWXGU-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCOC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKROLWYZPIYMB-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCC2CCOC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJFULKFBQKGIX-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCOCC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJJCUGMMHLTMI-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCC2CCOCC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQYUBOYQBUKCDJ-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCN(C(C)=O)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQMLQYAJFFHHA-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCNCC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQVMFMUEJDWAK-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCC2CCNCC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYIUJNFZJITOG-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCCNC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCPRWRPQWDCQQI-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCN(C(=O)C3CC3)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKQFVJDNGORJO-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCN(C(=O)CC3CC3)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGXJPVWUUNMSD-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCN(C(=O)CN(C)C)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAEKBIRAHWVBAW-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCN(C(=O)CN3CCOCC3)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVLWSTPDNMGOIW-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCN(C(=O)CCN3CCOCC3)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFHJDLSNREQBD-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCC2CCN(C(C)=O)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCUVZJENIEQDZ-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NCC2CCN(C(=O)C3CC3)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQBTXNXMNNYCPX-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1ccc(NC2CCCN(C(C)=O)C2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTXJAFDKUQWOX-MCHASIABSA-N", "SMILES:CCOC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRVGXZDCVDZJBZ-QAQDUYKDSA-N", "SMILES:CCN(CC)CC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGHKGTKTGHKCJZ-YDCNECLWSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)NCc1ccc(OC)cc1)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUIAPTLRPSBZSI-WENIUAECSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENLRNYWZYSOHR-WENIUAECSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYJYPPWXRFNFMI-ZWQJGPAJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNMYJRDJOOFOF-KBEZBFTESA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFUCEZAYRIPMK-ZWQJGPAJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOHWYBJZKMENI-BOQOAPEPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGNUMXOEHBAMX-GAQBOOIPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEAZNRBTCVFFMC-VQIWEWKSSA-N", "SMILES:CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPRPIFBTYRYBRJ-UFTMZEDQSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJSZJZFTXZJZNG-GJFSDDNBSA-N", "SMILES:CCCCCCCCCCCCCCCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXRPKSILDICOY-ZMBIFBSDSA-N", "SMILES:CCCCCCCCCCCCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFQLZEUIPINRSE-VQIWEWKSSA-N", "SMILES:CCCCCCCCCCCCCCCCSCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYCBVUEWPILNY-UFTMZEDQSA-N", "SMILES:C#CCCCCCCCCCCCCCCCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJWUMNCPGFOJB-GJFSDDNBSA-N", "SMILES:C#CCCCCCCCCCCCCCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNGSYJECABJHR-ZMBIFBSDSA-N", "SMILES:C#CCCCCCCCCCCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPPVLKSAWGEPS-HZPIKELBSA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCCCCCCCCCCCCCCCC#C[Si](C)(C)C.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJLNQNZHVPHART-UFTMZEDQSA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCCOCCCCCCCCCCCCC#C[Si](C)(C)C.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKVFJXADMTUTR-GJFSDDNBSA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCCOCCCCCCCCCCCCCC#CC(F)(F)F.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABNHYFNEPLHVLN-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DASJLYSANZOJQC-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccccc1"]}
{"name": "Heme oxygenase 2", "xref": ["CHEMBL.TARGET:CHEMBL3348"], "id": "UniProtKB:P23711", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGLLUDQHKDVKME-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccnc1)C(c1ccccc1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KISGXLQGERLHKY-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFERZRHMRZTXQD-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOOJGNOHZXCBLG-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccc(OCc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVNVUGQAFYOBFB-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccnc1)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL70611", "category": ["biolink:ChemicalEntity"], "name": "AZALANSTAT", "xref": ["InChIKey:VYNIUBZKEWJOJP-UNMCSNQZSA-N", "SMILES:Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1"], "synonym": ["Azalanstat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJIXKBNNYAEGKH-FPOVZHCZSA-N", "SMILES:FC(F)(F)c1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1188481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHVAAZDEQVTTO-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Cn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRAWFXXOZVYZRX-UHFFFAOYSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)Cn1ccnc1"]}
{"name": "Heme oxygenase 1", "xref": ["CHEMBL.TARGET:CHEMBL5035"], "id": "UniProtKB:P06762", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNSAAFNQBTXMB-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccnc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSNSVNJIJYZIEC-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccnc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOWBJVNVFQUMAE-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccnc1)Nc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSRNULYVXWKHJI-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccnc1)Nc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFWHSUXFISBEG-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccnc1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GECNASNDCPHIDY-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccnc1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFCHECYLDGFIPH-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)Cn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPXXOUMXJIIVBN-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccnc1)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKIISUDIQHZHT-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccnc1)C(c1ccccc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGXXZFFQCGIKBW-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccnc1)C(c1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXKZACDXBKFTIE-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCCn1ccnc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBNOCFGNATNER-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(CCCn1ccnc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBXCCIITCLBSA-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)N(CCCn1ccnc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFRKIBHYHVPPO-QFIPXVFZSA-N", "SMILES:O=C(CCCSC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPIKEBAJICFPE-KRWDZBQOSA-N", "SMILES:O=C(CCCSC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUURLUFIOIIBI-SFHVURJKSA-N", "SMILES:O=C(CCCSC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCCXLZXHDNUTA-SMMWJOPVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)CSCC(=O)NCCCC(C(=O)NCCOCCOCCOCCNC(=O)CCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXEMCNHTTFLYEA-ZRQFLJNXSA-N", "SMILES:CC(C)C[C@@H](CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)S(=O)(=O)CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRBRTZBDYLSRKG-HMJDXFCWSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)S(=O)(=O)CCN)C(C)C)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHBHNCZZOBEGL-SUEXZACNSA-N", "SMILES:CC(C)C[C@@H](CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)S(=O)(=O)CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMOCEFSULFUIQQ-WHKBIWEFSA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)S(=O)(=O)CCN)C(C)C)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBCQAUGCTPSTSK-LKYPCBHESA-N", "SMILES:CC(C)C[C@@H](CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)S(=O)(=O)CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFPSXAICOUFIM-MZQZLTFESA-N", "SMILES:CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)S(=O)(=O)CCN)C(C)C)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHUKVQYGADHSI-VSYWINOHSA-N", "SMILES:CC(C)C[C@@H](CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)S(=O)(=O)CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRHVURLJIUGPFX-VSYWINOHSA-N", "SMILES:CC(C)C[C@@H](CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)S(=O)(=O)CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXNKBMPNEPKMTQ-QVQKUNCASA-N", "SMILES:CC(C)C[C@@H](CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)S(=O)(=O)CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWXOMYINZDUGN-JNLNXYSYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](Nc5ncnc6[nH]cc(C(=O)c7ccc(Oc8ccccc8)cc7Cl)c56)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIDOUZNZPXVKV-BJUSXVRCSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCNC(=O)N[C@H]4CC[C@@H](Nc5ncnc6[nH]cc(C(=O)c7ccc(Oc8ccccc8)cc7Cl)c56)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTJIDAVQUKNWMS-YAUGJHQHSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCNC(=O)N[C@H]4CC[C@@H](Nc5ncnc6[nH]cc(C(=O)c7ccc(Oc8ccccc8)cc7Cl)c56)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIAOFDRZXBDDRR-HYKUANOISA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](Nc5ncnc6[nH]cc(C(=O)c7ccc(Oc8ccccc8)cc7Cl)c56)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZZCPDVZWIZJE-IYBDPMFKSA-N", "SMILES:N[C@H]1CC[C@@H](Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFCZHOGJFHOEX-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSFCZQSJQXFJDS-MAUKXSAKSA-N", "SMILES:O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CO)OC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZSKXPDZKWNIF-ZMZOSUEXSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](Nc5ncnc6[nH]cc(C(=O)c7ccc(Oc8ccccc8)cc7Cl)c56)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQKJTMVUALADJ-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12)NCCOCCOCCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QISGKNKLDDLEMZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCPUTVJMYTZJI-UHFFFAOYSA-N", "SMILES:CCNC(=O)CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMRCFSIETKZCON-HDICACEKSA-N", "SMILES:CCNC(=O)N[C@H]1CC[C@@H](Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNGVZKNBHLZMMG-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12)NCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNXARYSBTUJHY-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVICRPGKKOLGDE-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12)NCCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVBNVWQRLLLMHI-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12)NCCOCCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBKLIVPNYGQQG-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMAQUYGNXCKZFP-VQHVLOKHSA-N", "SMILES:CCc1c(C(=O)Nc2cc(/C=C/C(=O)NO)ccc2OC)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVNJIZWSYAIOO-JXMROGBWSA-N", "SMILES:COc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVPNUWHMBPXOU-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCCCCCCCC(=O)NO)c2c1C(=O)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVORXNGLOKKWIC-CMDGGOBGSA-N", "SMILES:CCc1c(C(=O)Nc2cccc(/C=C/C(=O)NO)c2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZECKTZTLWIBPJ-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)Nc2cccc(CCC(=O)NO)c2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5069833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXAGNKFGIRXLSP-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)Nc2cccc(CCC(=O)Nc3ccccc3N)c2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHRZKNHRGHPRLU-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)Nc2cccc(CCC(=O)OC)c2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRZVZUSZCFVSS-SOFGYWHQSA-N", "SMILES:CCc1c(C(=O)Nc2cc(/C=C/C(=O)NO)ccc2O)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJGEYOLHRADBC-FMIVXFBMSA-N", "SMILES:CCc1c(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(/C=C/C(=O)NO)c3)ccc2OC)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQXRFBPIUIEDL-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCCCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c2c(c(C)n1C)C(=O)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMMUPAPSVDSQOM-UHFFFAOYSA-N", "SMILES:Cn1cccc1C(=O)Nc1cccc(CCC(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHODAWVJTVENH-UHFFFAOYSA-N", "SMILES:Cc1c2c(c(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OCCCCCCCC(=O)NO)n1C)CCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUFXFRVJKPKBR-DTQAZKPQSA-N", "SMILES:O=C(C1=C(O)/C(=C/c2ccc(C(F)(F)F)cc2)CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFFUUQJYACYQAC-JQIJEIRASA-N", "SMILES:COc1ccc(/C=C2\\CCCC(C(=O)c3ccccc3)=C2O)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104744", "category": ["biolink:ChemicalEntity"], "name": "NORGESTOMET", "xref": ["InChIKey:IWSXBCZCPVUWHT-VIFKTUCRSA-N", "SMILES:CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](C)C[C@@]21C"], "synonym": ["Norgestomet", "Norgestomet", "SC-21009", "Norgestomet"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5077912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSXBCZCPVUWHT-GFNZRIEASA-N", "SMILES:CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](C)C[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5087583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGYOIFSDRONLHJ-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSBSBHMOGBXFD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)CC2)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWHSSXFMHOQGS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)CCN2c1ccc(C(=O)NO)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCMRWJOERMNVPK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)CCCN2c1ccc(C(=O)NO)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVMARDIUMZOEHX-BJMVGYQFSA-N", "SMILES:O=C(/C=C/c1ccc(CN2CCc3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc32)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNXUQJGOJWQGL-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(N4CCN(C(=O)C5CCN(c6ccc(NC(=O)c7cnc(Oc8ccccc8)nc7)cc6)CC5)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUILKUWMNHXPIN-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(N4CCN(C(=O)C5CCN(c6ccc(NC(=O)c7cnc(Oc8ccccc8)nc7)cc6)CC5)CC4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEYOBVMPDRKTNR-BUHFOSPRSA-N", "SMILES:Oc1ccc(/N=N/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPTZWQFHBVOLO-CCEZHUSRSA-N", "SMILES:O=C(O)c1ccc(/N=N/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDKCHBQWVTFBN-BUHFOSPRSA-N", "SMILES:Oc1cccc(/N=N/c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTUJFGXQAJEIJ-CCEZHUSRSA-N", "SMILES:Nc1cccc(/N=N/c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGZUKHALNSQAG-BUHFOSPRSA-N", "SMILES:c1ccc(/N=N/c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLSLKMQAWSXWOL-CCEZHUSRSA-N", "SMILES:Cc1cnccc1/N=N/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVFNQVNZCUQHH-CCEZHUSRSA-N", "SMILES:Clc1cc(/N=N/c2ccccc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYAHOVOJWDVHJ-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGTJOAXLNZFALH-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJPPOIFEILEWEW-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUFXFGEEHUSRS-UHFFFAOYSA-N", "SMILES:CCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWBWLYTOBXVLV-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNEPJJIFRIXPKZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UASVVPMMWLZVOY-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWXTNRHUCRUNM-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)cc1OC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWWHMPIRPAWCKH-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWIIYPDAXPYSGR-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)cc1OC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMZWYLOARVASY-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(C#N)=Cc1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTMLTKXDFQPGE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)o1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUJWJHEAQXWSY-KRWDZBQOSA-N", "SMILES:O=C1CNC(=O)[C@H](Cc2ccc(OCCCN3CCCCC3)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUJWJHEAQXWSY-QGZVFWFLSA-N", "SMILES:O=C1CNC(=O)[C@@H](Cc2ccc(OCCCN3CCCCC3)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYNFVLATOLAJT-YJBOKZPZSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCN3CCCCC3)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZTUJGCANKVFKG-PMACEKPBSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCN3CCCCC3)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYOWOYYVKHQRTE-ZEQRLZLVSA-N", "SMILES:O=C1N[C@@H](Cc2ccc(OCCCN3CCCCC3)cc2)C(=O)N[C@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDBXATVSNHARP-SFHVURJKSA-N", "SMILES:c1cc(OCCCN2CCCCC2)ccc1C[C@H]1CNCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNSYMPTZMDKHS-DQEYMECFSA-N", "SMILES:c1ccc(C[C@H]2CN[C@@H](Cc3ccc(OCCCN4CCCCC4)cc3)CN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGWSENZBWLTMH-RGEXLXHISA-N", "SMILES:CC(=O)N1CC(=O)N/C(=C\\c2ccc(OCCCN3CCCCC3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNDCSISQGBEMS-LGMDPLHJSA-N", "SMILES:O=C1CNC(=O)/C(=C/c2ccc(OCCCN3CCCCC3)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYIXLPRBKFHGL-KVOJEJHXSA-N", "SMILES:O=c1[nH]/c(=C\\c2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]/c1=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUYNXVKDVJCSA-RXSCDKOLSA-N", "SMILES:CC(=O)N1C(=O)/C(=C/c2ccc(OCCCN3CCCCC3)cc2)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBMKCHPSURRFP-PMKMQUDQSA-N", "SMILES:O=C1N[C@@H](Cc2ccccc2)C(=O)N/C1=C\\c1ccc(OCCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDRSNHNNGTWEET-UHFFFAOYSA-N", "SMILES:O=C1CN(Cc2ccc(OCCCN3CCCCC3)cc2)C(=O)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQGZMGPSDPSXNB-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2ccc(OCCCN3CCCCC3)cc2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSILUQKBLXUIE-UHFFFAOYSA-N", "SMILES:O=C1CN(Cc2ccc(OCCCN3CCCCC3)cc2)CCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJOLGSZIJVOGGK-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2ccc(OCCCN3CCCCC3)cc2)CCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNIRITULTPTAQW-KNQAVFIVSA-N", "SMILES:CN1C[C@H]2CCN(c3ccc(-c4ccc(-n5ncccc5=O)cc4)cc3)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGQWRCAZEPAXRA-GZTJUZNOSA-N", "SMILES:Cc1cc(Nc2ccc(C(=O)/C=C/c3ccc4ccccc4c3)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIKNCSGXNBOYRG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccccn1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYVFGKBYWIILST-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)C(=O)NCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGAHWXMEJUQTLE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(C)=O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFPVIVRAUAKGL-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCN1CCOCC1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMAYTCMMKJYIAM-PHKAQXKASA-N", "SMILES:CC[C@H]1C[C@H]2C[N@]3CCc4c([nH]c5ccc(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5081055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHBLVVCPDXRRZ-NTEUORMPSA-N", "SMILES:O=C1Nc2cc(Br)ccc2/C1=C\\c1cc2c([nH]1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIQMIUMLKNCJI-MOSHPQCFSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHAYDUTAOOKNT-NDENLUEZSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)C1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGWZVEDIACAIPJ-UYRXBGFRSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)C1CCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBRHIYXYPBAJI-VXIUPONVSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)[C@@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDNVCNQLISZLF-XLXASQRYSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)[C@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDNVCNQLISZLF-OVCORXIESA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKFFTVAKILRBN-STZFKDTASA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXKLNDHIYUSFDD-STZFKDTASA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXSIJUQHVYUEW-MOSHPQCFSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AACDACVOLOCWHA-BKUYFWCQSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CNC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKPUDRSKVJXHU-MOSHPQCFSA-N", "SMILES:CCN(CC)CC(=O)Nc1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUWAJWLBEWZKJI-JWGURIENSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTYWJCQJKWAGR-JWGURIENSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQHJYGBMLQWJCD-QNGOZBTKSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLGQMGJYFTYAFE-QNGOZBTKSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWKYLXJPAUWFKO-JCMHNJIXSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CCNC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYHDHBVJGRHNSB-ZHZULCJRSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CCNC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WITREMUKDRSQSQ-ZHZULCJRSA-N", "SMILES:CCCNCCC(=O)Nc1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBDXBRAHQITIQT-UYRXBGFRSA-N", "SMILES:CCNCCC(=O)Nc1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKUAEQKZDBQLE-UYRXBGFRSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1NC(=O)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVUAUWRLNGSTD-QNGOZBTKSA-N", "SMILES:CCN(CC)CCC(=O)Nc1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFILCAPWAQDHAA-ZHZULCJRSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPWNHXUIUNHVJS-PDGQHHTCSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(F)(F)F)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWAYWQFHTCNYIE-QNGOZBTKSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)c4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQRWDZDWQLURQ-QNGOZBTKSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJQBCCBRIRDBD-QNGOZBTKSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSKFYCCEHFZAH-XVSJJFNZSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"name": "C5a anaphylatoxin chemotactic receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5746"], "id": "UniProtKB:P30993", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDOOBNYHWWUCRX-ZNLDZGKTSA-N", "SMILES:CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBGVAVOPKRZUPY-CFFNIIHUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJEWAUHKNFUYAI-TUSWLNAQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDJTYBMZDFFZQK-NKYAFPQCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJODUMIIQGIOJD-CSLZCNNUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFOTYIPKDCXHV-NKYAFPQCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFQZDJHODZEQQI-CSLZCNNUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJPZLMTMOJRNE-AMIMNYOESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOUJJFLKINMWCU-RGLNHWONSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRROZNKYJOKDQA-JRHISNECSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIKIAULSMKDPQZ-JRPWWCNASA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTXAEFBBMKNZQD-QOBDIHAISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEAOFINUIBSJJP-IPQAMJNRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTXAEFBBMKNZQD-FGTNARQOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJRJFQXQDZRLDE-POPBBVCPSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKZFTPQIDXAEU-MGFKLGSVSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVKCIDZQKLTNIQ-KCMJHYQFSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWNMAFCGUIGVDU-HZMLVDQPSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQJVKTYKBZEWOM-OSHDFYASSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOVUFMRYFBYQY-QOBDIHAISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHLPNHYIFLRMF-KYPMOYBNSA-N", "SMILES:CC[C@H](C)C1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](N)Cc2ccccc2)CC#CCSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(N)=O)[C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUYKISBYMLBEI-OPTWNZHXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCCCn2nncc2COC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEETUXJGCJUHRG-ZBTLJGQLSA-N", "SMILES:C=C1/C=C/COC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQDJLXINTHKQGT-SVPADUAOSA-N", "SMILES:CC(C)C[C@H](CC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)C[C@@H](C)C(=O)C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOZIAQAWRKCGR-FWEHEUNISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2CCCCC2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMFCWAIRCQBHAK-ZJZGAYNASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGABNRWYPQEKH-ZJZGAYNASA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCCCn2nncc2COC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNZCAAPOFHZUQT-ZJZGAYNASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2CC2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHYVNFSNNXSWDI-DZUOILHNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHDMNUZMWRTIAO-ORYMTKCHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRCXDWJSJMWDJS-ORYMTKCHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDRJZYVHCSJKMR-CQJMVLFOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccnc2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWXKBJJUABXBSX-QORCZRPOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccs2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANKMINOYSYMKD-YDPTYEFTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMTLIKTUPVVWCX-KRCBVYEFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIAMSZGDOVWFLM-YRCZKMHPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCCCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQDJBDGHLQEVOV-AWCRTANDSA-N", "SMILES:CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](COCc1cnnn1CCCCC(=O)NCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFLIGJESFWQCS-MSRGAWBBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COQYYLDYHHWMJF-IVTMSITQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CC[C@@H](O)[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXAWOZVUYLVGTA-ORYMTKCHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCOC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQLGGLFMKUJFKW-MEROQGEASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYFVLOSPZHNAY-AWCRTANDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)NC(C)(C)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRZXNJNYHNOEE-ZYADHFCISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIONRSZYKYFCB-FYYOVZQQSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGMMRPFLGPZDN-ABVVNCBOSA-N", "SMILES:NC(=O)[C@@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNEBTFUUTKNCQR-CUPIEXAXSA-N", "SMILES:NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZZJTNMJYFNHHY-ORYMTKCHSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZLBIKFZUGNGW-ORYMTKCHSA-N", "SMILES:NC(=O)[C@H](CC1CC1)NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBYMTHRPQMFQSZ-LJWNLINESA-N", "SMILES:NC(=O)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RABGLHABEKDZSY-DZUOILHNSA-N", "SMILES:NC(=O)CC[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHFREDVVKLKNIS-YDPTYEFTSA-N", "SMILES:CC(C)C[C@@H](C(N)=O)N(C)C(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZLRPBMBWXKNG-PYHODHCZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZLRPBMBWXKNG-KMDFBNFPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSMAXDXRRXYNRF-XDIGFQIYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPKDFKCNQOERN-ZTTXAYQISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSMAXDXRRXYNRF-LUKCZKMGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPKDFKCNQOERN-UZYORVLWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@H](CCC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIGBPJNDOLLOPE-LJWNLINESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLAEZFQQZIONY-DZUOILHNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZPSSGVBAYIIHL-KRCBVYEFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJVYUVMSJVVZKO-KRCBVYEFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNGQLOCHRZMIA-ORYMTKCHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCMVJHTYGLNEH-YRCZKMHPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCCCCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZFYCJRXTNXQBS-BBACVFHCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCCCCCCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPNMUPFYDXMJB-MBEDZMRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H]1CSCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQYABHGLFQNZOW-ZLESDFJESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H]1CCCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFYFAPRFKYRDB-ZXYZSCNASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H]1Cc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXQVMZOPNHOBG-FKWFRFQNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H]1Cn2nncc2CCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBIQXFMRZUUKD-RYTSNQFKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H]1CCn2nncc2CCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHTYHUBKEFWIHB-ZDUGHIHNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYOTZBDUPICLBG-MAVCTHMOSA-N", "SMILES:CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCCn2nncc2COC[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWIVWAWBQFJKH-QLBHTZGESA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CCCn2nncc2COC[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFICBPNNVFUMG-VMTJQXTBSA-N", "SMILES:CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCCn2nncc2COC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKQOWLZHFWPKEP-POLCJZOUSA-N", "SMILES:CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC2=NCN=C2)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)CCCn2nncc2COC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(C)N2CCC[C@H]2C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQZRCQYJWMBVBF-QZDYKYJSSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCCn2nncc2COC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(C)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLJUVLPLGISKE-YFVDCHTDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2cnnn2CC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNBHTMGDVLPSOT-HSTUYHSTSA-N", "SMILES:O=S(=O)(Oc1ccc(/C=N/N=c2\\scc(-c3ccccc3)n2-c2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWAGFVQOCVNQC-UHFFFAOYSA-N", "SMILES:FC(F)(F)COc1ccc(-c2nnc(Nc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUXHSNNOGRDOA-YPXOUNKKSA-N", "SMILES:COC(=O)/C=C1\\S/C(=N\\N=C\\c2ccc(OCC(F)(F)F)cc2)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAEWOJHOKCYLGM-FLMSMKGQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2370701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGZFDJDNESMZSG-FLMSMKGQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGGGBDZCHUIORK-RMIXPHLWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c(F)cc(F)c(F)c1F)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSZQYFREVILXOX-DUJSLOSMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cc(F)c(F)c(F)c1F)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQBPARTJGBJNI-FRSCJGFNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWDPRRWWNQUPMB-FRSCJGFNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDGHKGCGPJTIU-FRSCJGFNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c(F)cc(F)cc1F)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCXPWPSQYLDQY-BTNSXGMBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1F)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBWVJDMCVBKRJ-FRSCJGFNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cc(F)c(F)cc1F)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZNUGRKUUICIU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHVCPVLWHYRRB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJXWCHFDLKESE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMFIQVCDYMZGGJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJCUBXHYWZGKM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UREXBPDPETWRMQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHABCJXOSXQZQQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nccs2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVBHTKYXOTZGB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ncco2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIPPPSLDTGZNBA-UHFFFAOYSA-N", "SMILES:Cc1ccc2sc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)c5ccccc5Cl)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOVFQHKNJMRWHF-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHTNNQRHUDAUOC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2Oc3ccccc3S2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAEOIHLLZSXAET-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(-c3ccccc3)cs2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDIBDOYWCBZQY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSAMTSGAURNPRG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUPLWKYDLQBGBO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)c5ccccc5Cl)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQVCCZPGTXLTKM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)c5ccccc5Cl)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOJHRYUGLRASX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNACTARLSPGGEQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cc2ccc(Cl)cc2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEJGVJHMIJCKAU-AMGIVPHBSA-N", "SMILES:C=C1[C@@H]2CCC[C@@]1(COC(=O)c1ccccc1-c1cccc(NC(C)=O)c1)CN(CC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHMPYQXKUJFOG-AMGIVPHBSA-N", "SMILES:C=C1[C@@H]2CCC[C@@]1(COC(=O)c1ccccc1-c1ccc(NC(C)=O)cc1)CN(CC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2296158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTANAWLDBYGFU-JSIWIKNZSA-N", "SMILES:CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5075587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFGICQXIAFSVAI-YKSBVNFPSA-N", "SMILES:C=C1[C@@H]2CCC[C@@]1(COC(=O)c1ccccc1-c1cccnc1)CN(CC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYRLPFFBCSYRE-YKSBVNFPSA-N", "SMILES:C=C1[C@@H]2CCC[C@@]1(COC(=O)c1ccccc1-c1ccncc1)CN(CC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVRSNKJONSXPDR-PXRVZFPISA-N", "SMILES:C=C1[C@@H]2CCC[C@@]1(COC(=O)c1ccccc1N1C(=O)CC(C)C1=O)CN(CC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNYIDDKTEYNPSM-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(OCc2cccc(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYVFDEFXTXVVAF-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sccc2c2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRNITWOICYYQGQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2c(=O)[nH]c3sccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTRFYNWHOXUPE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)[nH]c3sccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKASVOXYBOMEHH-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(=O)[nH]c3sccc3c2c1"]}
{"name": "Protein mono-ADP-ribosyltransferase PARP14", "xref": ["CHEMBL.TARGET:CHEMBL2176777"], "id": "UniProtKB:Q460N5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQIYFADDZCXPMK-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sccc2c2cc(OCc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOCXMXACLICDU-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sccc2c2cc(OCc3cccc(Br)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQJVOLSLAFIXSV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sccc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBECJEBESMQTDO-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMVQHFCXSBAHPD-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGALFFANYWVGLG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(nc1C)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYXVYACIJANSL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(nc1C)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCLIKHPRVEFSD-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCPHKIBADQZWSO-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMIOIFLYAGWRAZ-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2cc3c(nc2C)[nH]c2c(C4CC4)cccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUIJYNFEAQTSHI-UHFFFAOYSA-N", "SMILES:CCc1nnc(-c2cc3c(nc2C)[nH]c2c(C4CC4)cccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXZOFZXQIETTG-UHFFFAOYSA-N", "SMILES:CCc1nnc(-c2cc3c(nc2C)[nH]c2c(C4CC4)cccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFJREZCKIANGM-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZKPNEZKGRFGOJ-UHFFFAOYSA-N", "SMILES:CCCc1nnc(-c2cc3c(nc2C)[nH]c2c(C4CC4)cccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAAKGPRIVJHBKP-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(CC(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXOOMWSWLIGVOJ-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(C)C(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKGXBZSDIBBEB-UHFFFAOYSA-N", "SMILES:Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHKJZDQIGUOAK-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(NC(=O)CCc2ccccc2)C(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIEODOYVCMKNJZ-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(CC(=O)NCc2ccccc2)C(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHZKSLPIUQGPAT-KOSHJBKYSA-N", "SMILES:Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc([C@@H](CC(=O)N[C@H](C)c2ccccc2)C(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYMHXUYRZSBLQ-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC2)c2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKXJKUVKGJEDN-UHFFFAOYSA-N", "SMILES:CCC1CCCN1c1nc(C)nc2[nH]c3c(C4CC4)cccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSJZZGFTBGBHFN-ZDUSSCGKSA-N", "SMILES:Cc1nc(N2CCC[C@H]2CO)c2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSJZZGFTBGBHFN-CYBMUJFWSA-N", "SMILES:Cc1nc(N2CCC[C@@H]2CO)c2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXRNJXGMFGBBP-MOPGFXCFSA-N", "SMILES:Cc1nc(N2C[C@H](c3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLTNLSHVMKDQCW-QUCCMNQESA-N", "SMILES:Cc1nc(N2C[C@H](Cc3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQHFOQYLXZHKL-DCFHFQCYSA-N", "SMILES:Cc1nc(N2C[C@](CO)(Cc3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIXJNJDUOXZNSC-PPHZAIPVSA-N", "SMILES:Cc1nc(N2C[C@@](Cc3ccccc3)(C(N)=O)C[C@H]2CO)c2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXCCFZKYCZDCMZ-JKSUJKDBSA-N", "SMILES:CC[C@@H]1C[C@H](c2ccc(C(=O)O)[nH]2)CN1c1nc(C)nc2[nH]c3c(C4CC4)cccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJNBFHBPLOKOV-GJZGRUSLSA-N", "SMILES:Cc1nc(N2C[C@@H](c3ccc(C(=O)O)[nH]3)C[C@H]2CO)c2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITIWIMNLXCFDP-GJZGRUSLSA-N", "SMILES:Cc1nc(N2C[C@@H](c3ccc(C(N)=O)[nH]3)C[C@H]2CO)c2c(n1)[nH]c1c(C3CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCGNLQSOSJFLKR-UHFFFAOYSA-N", "SMILES:Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDLCEBCEYWLLCV-ZVBGSRNCSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(/N=C/c3ccccc3O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXRLEZPGACZDIB-UHFFFAOYSA-N", "SMILES:O=C1C2CC=CCC2C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMLKYTWMIRVTA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWQXFRWKUSTNOD-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQVJRKBTAURET-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(Br)cc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJBDFDDLSBFRT-UHFFFAOYSA-N", "SMILES:Cc1cccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISXXIYXBGHFTHD-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccccc3F)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMOFHURPTUBCJ-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3c(F)cccc3Cl)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDVSNXZBIRVHPO-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccccc3Cl)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVMITXSLZCOEW-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3cc4c(cc3Cl)OCO4)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHDXOIVOMGVLFO-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccccc3Br)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNKNPRZSIOKALU-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3cccc(Br)c3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLZYBFJGVRDRL-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(F)cc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPSQCEZKVPLMMY-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(Cl)cc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVKLERKKJXUPIK-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccccc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCHEQXRYSBMNE-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWJCLBOTLNDCS-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMBLEOCBOQJYFN-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNNSPKXDBSYGQM-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSQGJLMQFIKUGT-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTOEGPGZRRZHI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBFMPTFHJCSBTC-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccc4c(c3)OCO4)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVEHIHJENABCKF-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2ccc(OCc3ccncc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKFHNPECDMZIC-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccc2cc(Nc3ccnc(Cl)c3C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBFXJYEPAHLFL-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCUHYCIGBCKRTB-UHFFFAOYSA-N", "SMILES:N#Cc1c(Nc2ccc3[nH]c(=O)cc(N4CCCCC4)c3c2)ccnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEISTIQVVVHKQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(=O)[nH]c3ccc(Nc4ccnc(Cl)c4C#N)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPISPCMULBBREF-UHFFFAOYSA-N", "SMILES:N#Cc1c(Nc2ccc3[nH]c(=O)cc(N4CCOCC4)c3c2)ccnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDOMHVYWCBCKFI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(=O)[nH]c3ccc(Nc4ccnc(Cl)c4C#N)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTXWNXINXRBIU-UHFFFAOYSA-N", "SMILES:CCNc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRBJUWKSOGCWDO-UHFFFAOYSA-N", "SMILES:CCNc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCBDLTYNJFADK-UHFFFAOYSA-N", "SMILES:CCCNc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVIVKBSITZDLRH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(NCCF)c2cc(Nc3cc(C(=O)O)nc(Cl)c3C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHXEQCKPQBDTG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(NCC2CC2)c2cc(Nc3cc(C(=O)O)nc(Cl)c3C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFHDWACYRWCLF-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)Nc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFHDWACYRWCLF-SNVBAGLBSA-N", "SMILES:CNC(=O)[C@@H](C)Nc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFHDWACYRWCLF-JTQLQIEISA-N", "SMILES:CNC(=O)[C@H](C)Nc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXWICABUSJTLMQ-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Nc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFQFCTJGGHXAIT-UHFFFAOYSA-N", "SMILES:CNC(=O)CNc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADZTVPDTJJNJV-UHFFFAOYSA-N", "SMILES:CNC(=O)C(C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUZWZBJQFESGS-UHFFFAOYSA-N", "SMILES:CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOZHKUFKFQTMSG-UHFFFAOYSA-N", "SMILES:Cc1nnc(C(C)Nc2cc(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVURUTRVJUHFJI-UHFFFAOYSA-N", "SMILES:CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncn(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWNGZWURJFQPT-UHFFFAOYSA-N", "SMILES:CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWNGZWURJFQPT-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFQLFIVAHTACB-UHFFFAOYSA-N", "SMILES:CC(Nc1cc(=O)n(CC2CC2)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDNPPPHHDQJDAV-UHFFFAOYSA-N", "SMILES:CC(Nc1cc(=O)n(CC2CCC2)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJBWTCQZVWJDR-UHFFFAOYSA-N", "SMILES:Cc1cnc(C(C)Nc2cc(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHLDBZWADXDVDT-UHFFFAOYSA-N", "SMILES:CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBNNNFJPKGPQA-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(NC(C)(C)c2ncccn2)c2cc(Nc3ccnc(Cl)c3C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSEPTCJLWMVQFB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(NC(C)(C)c2ncc(C3CC3)cn2)c2cc(Nc3ccnc(Cl)c3C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAIZRHXQMNGPHM-UHFFFAOYSA-N", "SMILES:OCc1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTFSIBMQZESTC-UHFFFAOYSA-N", "SMILES:CCCCc1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STBXVMPQYWHXKI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPOKLJVPYLJWGT-UHFFFAOYSA-N", "SMILES:OCCc1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FERWLPKYXZHRKQ-UHFFFAOYSA-N", "SMILES:OCCCc1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIUAZTOXJULCPI-UHFFFAOYSA-N", "SMILES:OCCCCc1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRPFHXLEWDMOC-UHFFFAOYSA-N", "SMILES:CC(O)c1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAPGVNYXOYHCU-UHFFFAOYSA-N", "SMILES:CCC(O)c1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIIEJSEIOPKGL-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUKYDBZWZFCDMX-UHFFFAOYSA-N", "SMILES:CCC(C)(O)c1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKSRXNGZOJBLIW-UHFFFAOYSA-N", "SMILES:CC(C)CC(C)(O)c1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCQVJFBGCFNOBE-UHFFFAOYSA-N", "SMILES:O/N=C(\\Nc1ccc(F)c(Br)c1)c1nonc1NCCn1cc(C2(O)CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOXSTPPEXOYIT-UHFFFAOYSA-N", "SMILES:OCCOCc1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFOHWOBWFTUGD-UHFFFAOYSA-N", "SMILES:CC(OCCO)c1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHIGQXGQGYGCKG-UHFFFAOYSA-N", "SMILES:CC(C)(OCCO)c1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KESODISIYIYWQQ-UHFFFAOYSA-N", "SMILES:CCOc1cc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)cc(OCC)c1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXVDKQQPALQET-UHFFFAOYSA-N", "SMILES:O/N=C(\\Nc1ccc(F)c(Br)c1)c1nonc1NCCn1cc(-c2cccc(O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEDJAODAMNCQE-FRXJQCMVSA-N", "SMILES:C[C@]1([C@H](O)C[C@H]2c3c(F)cccc3-c3cncn32)CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROIVWMQNZZDMT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=S)NCc2cnc3scc(C#CC4CC4)n23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BULOKVUWCOMRHU-UHFFFAOYSA-N", "SMILES:Cc1cc(NCc2ccc(F)cc2)c2cc(OCCCN3CCCC3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTGXVWZKNFNNT-UHFFFAOYSA-N", "SMILES:CN(C)CCc1cn(CCF)c2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJYLPCOHTVELW-UHFFFAOYSA-N", "SMILES:CCn1cc(CCN(C)C)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJZDXFWNBMUPH-UHFFFAOYSA-N", "SMILES:CN(C)CCc1cn(CC2CC2)c2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPANRDIQVPPKGG-UHFFFAOYSA-N", "SMILES:CCN(C)CCc1cn(C)c2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTKIVOWQPDGMZ-UHFFFAOYSA-N", "SMILES:CC(C)N(C)CCc1cn(C)c2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMBLNQNUYVRJF-UHFFFAOYSA-N", "SMILES:CN(CCc1cn(C)c2cccc(O)c12)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVXKDRBZBOJVGG-JAUXOLPYSA-N", "SMILES:Cc1cc2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2cc1N(C)C(=O)[C@H](C)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVXKDRBZBOJVGG-WHEFHEQHSA-N", "SMILES:Cc1cc2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2cc1N(C)C(=O)[C@@H](C)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJGZDTXKQRIOFX-MJBQAUCRSA-N", "SMILES:C[C@@H](C(=O)N(C)c1ccc2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2c1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCSRGGUNMAVLI-QKFKETGDSA-N", "SMILES:CN(C(=O)C(F)(F)C1CCOCC1)c1ccc2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQWZPLSKUZGYJN-IRRNSTBUSA-N", "SMILES:CCc1cc2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2cc1N(C)C(=O)[C@H](C)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWXHTQHHPZLBPI-IPKGXFCISA-N", "SMILES:C[C@H](C(=O)N(C)c1cc(F)c2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2c1)N1CCOCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEGWEOKQAPJCD-JBEBIEQOSA-N", "SMILES:Cc1cc2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2cc1N(C)C(=O)CN1CCOCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQIBOKWDFMIEJM-NYOFJVTHSA-N", "SMILES:C[C@@H](C(=O)N(C)c1cc(O)c2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJXJVYHWTNXNHX-SKHRDNQBSA-N", "SMILES:Cc1c(N(C)C(=O)[C@H](C)N2CCOCC2)cc2nc(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)[nH]c2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTZWYZDFORBCV-OSZRXVRWSA-N", "SMILES:Cc1cc2[nH]c(-c3n[nH]c4c3C[C@@H]3C(F)(F)[C@]3(C)C4)nc2cc1N(C)C(=O)[C@H](C)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJDMGQEYJFXFN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)N(C)c3ccccc3C)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBJHIBFARBKTMT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2cc(C)c(O)c(C)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKVIRWBFKJDSY-UHFFFAOYSA-N", "SMILES:Cc1cc(O)ccc1-c1ccc(C(=O)N(C)c2ccccc2C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPHZSYOQPNGSS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccc(O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIYJSDLQYLLSE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccc(O)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYAQMWZIBBHTI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccc(O)cc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOQMJOXSCLFTK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccc(O)c(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHYEJCADXZUTA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccc(O)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDOALYGNBGOKS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2cc(F)c(O)c(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLDWYDHYBOHCX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEBDKSYNJJVZSO-VIFPVBQESA-N", "SMILES:Cc1cn([C@@H](C)CC#N)c(=O)c2cc(Cn3nc(C(F)F)cc3Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLFCZVVFPNDHIW-UHFFFAOYSA-N", "SMILES:Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(C(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNAMCLMCBLNOL-NFQMXDRXSA-N", "SMILES:Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Oc1ccc2c(c1)OC[C@H]2CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYBFLAZLZLAGT-NFQMXDRXSA-N", "SMILES:COCCCS(=O)(=O)c1cc(C)c(-c2ccc(F)c3c2CC[C@H]3Oc2ccc3c(c2)OC[C@H]3CC(=O)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236549", "category": ["biolink:ChemicalEntity"], "name": "JNJ-39758979", "xref": ["InChIKey:COOGVHJHSCBOQT-MRVPVSSYSA-N", "SMILES:CC(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1"], "synonym": ["Jnj 39758979", "Jnj-39758979", "JNJ-39758979, (-)-", "JNJ39758979"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSNJGYMDDSYJHS-ZCFIWIBFSA-N", "SMILES:CN[C@@H]1CCN(c2cc(C(F)(F)F)nc(N)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZMIWVZGYMKUDV-WFGJKAKNSA-N", "SMILES:[2H]C([2H])([2H])C1(C([2H])([2H])[2H])Cn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c2CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRMGHITRSOINN-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(c2nccc(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C[C@H](C)C1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOGVAVHOLLLAZ-UHFFFAOYSA-N", "SMILES:COc1cnccc1Nc1nc(-c2nn(Cc3c(F)cc(OCCO)cc3F)c3ccccc23)ncc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYNPCEUBSGNIIR-WWPVKYPJSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccn([C@H](CC2CCCCC2)C(=O)N[C@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NC2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTGORSKTHIBLJT-HHXXRNITSA-N", "SMILES:O=C(/C=C/c1ccccc1)N[C@H](CC1CCCCC1)C(=O)N[C@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVRHQFXQFSBQK-QPTUXGOLSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccn([C@H](CC2CC2)C(=O)N[C@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPJDKCMFIPBAW-KVIMGBSASA-M", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWLAIMXRBDUMH-BRWVUGGUSA-N", "SMILES:CSCC[C@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVWMBFPIAQRHK-FGZHOGPDSA-N", "SMILES:CCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPKJGHVHQWJOOT-QKNQBKEWSA-N", "SMILES:O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRBVFBQANEDDM-FBBABVLZSA-N", "SMILES:O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVERBUNNCOKGNZ-AWEZNQCLSA-N", "SMILES:Cc1ccc(N)cc1C(=O)N[C@@H](C)c1cccc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5171214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGPYBLOBHQLIET-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLGQULYJADVGW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)NC(C)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSLGKGTZSFLOH-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)C2CCN(Cc3cccc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCOIHTXXFBCGND-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3cc4nc(=O)c(-c5c(Cl)c(OC)cc(OC)c5Cl)c(O)n4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAQCFZJMCCTCK-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(NCc3ccc(N4CCOCC4)cc3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIBCKZBCWCSOZ-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(NCc3ccccc3N3CCOCC3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIPDDILQGPCCKI-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(NCc3ccccc3-n3ccnc3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPNNIMIMOQMCG-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(NCc3cn[nH]c3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGXQXIOHFLFFRH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(CCc2cc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)n[nH]2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCEOGRIPTKTUOV-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4cc(F)c(N5CCN(C)CC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDUPSBANJZEIW-IYBDPMFKSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4cc(F)c(N5C[C@@H](C)O[C@@H](C)C5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHYRHQXTHUGBJV-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4cc(F)c(N5CCOCC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZSRHQZWOITQR-CALCHBBNSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUNDEPCHRSSRHC-CALCHBBNSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCGPJPIPKDWAT-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYJMVCWYBMPHTD-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFYNOFFYMQHBAL-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(CN5CCC(N6CCNCC6)CC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHUZEULHHBDND-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(CN5CCC(N6CCN(C)CC6)CC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTIMSGNOBJVAE-HDICACEKSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(CN5C[C@@H](C)N[C@@H](C)C5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFWCZFZSQLLMZ-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(CN5CCN(C)CC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYMIOSAGFUFSMC-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRLCMSJRWBXEIO-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(C(=O)NC5CCOCC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQCLOXLEVFZMAT-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(C(=O)NCCN5CCOCC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKDTJAGVPINNR-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2ccc3nc(-c4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRADXZLYXUWGK-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(C(=O)N5CCN(C)CC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHRHKGJHFUFBP-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(C(=O)N5CCOCC5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKQWBIBGYRHIPV-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(-c5cnn(CCN6CCOCC6)c5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACLICQSXLCKBZ-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(-c5ccc(N6CCOCC6)nc5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBWBRLHRGYCPG-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(-c5ccc(C(=O)N6CCOCC6)cc5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOPGLVUDBLCPTB-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(-c5cccc(CN6CCOCC6)c5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYOWYIEYBIMAM-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccc(-c5ccc(N6CCOCC6)cc5)cc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAMHYLRQXHJKEU-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSIMHBIGEXRRJS-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4cccnc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRUOSBHWZUWNW-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(-c3nc4ccncc4[nH]3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVVCRLMPWOMJX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(CCc2cc(-c3nc4ccc(CN5CCN(C)CC5)cc4[nH]3)n[nH]2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189584", "category": ["biolink:ChemicalEntity"], "name": "PD-173074", "xref": ["InChIKey:DXCUKNQANPLTEJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5186648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCUVJTVUUVQKFK-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZYNJKDGRBRKG-SANMLTNESA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(C(=O)Nc3ccccc3N)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKMTTRRFWJCCL-SANMLTNESA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(NC(=O)CCCCCCC(=O)NO)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXVJYUDHNXUFIO-NWMLYGLHSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1ccc(/C=C/C(=O)NO)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNIICUXUOAFIAD-QHCPKHFHSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCC(=O)Nc1ccccc1N)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRVJWSWSCCVNAB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Cc2ccccc2)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJRWHAZXYGFMKD-UHFFFAOYSA-N", "SMILES:CC(C)CN1CC(c2ccc(Cl)cc2Cl)Oc2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTAOBQLOVJBJL-HNNXBMFYSA-N", "SMILES:O=C(O)c1ccc2c(c1)N(CC1CCC1)C[C@H](c1ccc(Cl)cc1Cl)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXRDIJLTBHLLJ-QHCPKHFHSA-N", "SMILES:O=C(O)c1ccc2c(c1)N(CC1CCC1)C[C@@]1(CCc3cc(Cl)ccc31)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEKXNQLQQLOBSI-AREMUKBSSA-N", "SMILES:O=C(NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)N(CC1CCC1)C[C@H](c1ccc(Cl)cc1Cl)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWGEQPNKKSGAL-SANMLTNESA-N", "SMILES:O=C1NS(=O)(=O)CCOCCCCCCN2C[C@@]3(CCc4cc(Cl)ccc43)COc3ccc1cc32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZTQDMVOAQSKQI-UAAUIGCTSA-N", "SMILES:O=C1NS(=O)(=O)CC/C=C/C[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650225", "category": ["biolink:ChemicalEntity"], "name": "MURIZATOCLAX", "xref": ["InChIKey:BJTFTQIBRVBSBH-VCQPVEJUSA-N", "SMILES:CO[C@]1(CN2CCN3CCCC[C@@H]3C2)/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"], "synonym": ["Murizatoclax", "Murizatoclax", "AMG 397", "AMG-397", "Murizatoclax"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVHGDSYSVYSJJ-VSDRMCFSSA-N", "SMILES:C[C@@H]1[C@@H](C)CCC[C@H](C2OCC(N(C)C)CO2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGXYTWLEUYKAL-JGALEJMMSA-N", "SMILES:CO[C@@]1(CC(=O)N(C)C)/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHFIIDHSWYJHA-NXHLMBQGSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C/[C@@](O)(CC(=O)N(C)C)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASENUOYUEJGGDX-XBECOECFSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C/[C@H](OCC(=O)O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYGCYZABAELJU-MQLKBQKUSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C/[C@H](OCCN2CCOCC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNATWTSFOSDXBZ-CQYHMPFISA-N", "SMILES:C[C@@H]1CCCC[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVJUQVROJMZJB-MQTRKTCISA-N", "SMILES:C[C@@H]1CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRSBISSEYLZZBN-ZYVWNYNNSA-N", "SMILES:C[C@@H]1[C@@H](C)C/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZVVBMLGOHPTPZ-ZHYCUCQBSA-N", "SMILES:CC[C@@H]1CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446378", "category": ["biolink:ChemicalEntity"], "name": "TAPOTOCLAX", "xref": ["InChIKey:JQNINBDKGLWYMU-GEAQBIRJSA-N", "SMILES:CO[C@H]1/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"], "synonym": ["Tapotoclax", "Amg 176", "Mcl-1 inhibitor amg 176", "Mcl-1 inhibitor amg-176", "Tapotoclax", "AMG 176", "AMG-176", "AMG176", "Tapotoclax"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSAYHBZFNXDOIJ-JOCHJYFZSA-N", "SMILES:Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)[C@H](C)CN(c2cn(C)c4ccc(C(=O)O)cc24)C3=O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMMADTDLICKLMQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cccc2c(CCCOc3cccc4c3CCCC4)c(C(=O)O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZVNHFKWDLAJN-UHFFFAOYSA-N", "SMILES:Cc1cc(CSCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYPPNJBUXJRMO-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAEQVLKERWAZNV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2nc3sccn3c2-c2ccnc(NCCCNS(=O)(=O)c3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMGTXUXACYHKH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2nc3sccn3c2-c2ccnc(NCCCNS(=O)(=O)c3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZPEAOQTDYVEG-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc2nc3ccccc3n12)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDWGKCXMGPQXJD-UHFFFAOYSA-N", "SMILES:NC1=NC(c2ccc(F)cc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWLVEDOYHPXDL-UHFFFAOYSA-N", "SMILES:COc1cc2c(Br)cc3c(c2cc1OC)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJVIMRYVJNTLM-UHFFFAOYSA-N", "SMILES:CCC1(c2ccc(COc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445978", "category": ["biolink:ChemicalEntity"], "name": "PECTOLINARIN", "xref": ["InChIKey:DUXQKCCELUKXOE-CBBZIXHGSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL395990", "category": ["biolink:ChemicalEntity"], "name": "RHOIFOLIN", "xref": ["InChIKey:RPMNUQRUHXIGHK-PYXJVEIZSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "synonym": ["Apigenin-7-Neohesperidoside"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL611029", "category": ["biolink:ChemicalEntity"], "name": "HERBACETIN", "xref": ["InChIKey:ZDOTZEDNGNPOEW-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL464274", "category": ["biolink:ChemicalEntity"], "name": "DEHYDROHIRSUTANONOL", "xref": ["InChIKey:VWHYFMQKJYFLCC-DUXPYHPUSA-N", "SMILES:O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3115681", "category": ["biolink:ChemicalEntity"], "name": "NARAZACICLIB", "xref": ["InChIKey:VADOZMZXXRBXNY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1"], "synonym": ["Narazaciclib", "Narazaciclib", "Narazaciclib", "Narazaciclib", "On-123300", "On123300"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWHDFGMXHATNR-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cc3ccccc3cc2N(C)c2nc(Nc3cnn(C4CCNCC4)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJORJQJUACCUBV-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2cnn(C3CCNCC3)c2)nc2c1N(C)C(=O)c1ccccc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHENCDSAYZNXRO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)ccc1C(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCMHJDURJOAFBQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cnn(C4CCNCC4)c3)nc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSGXCKWTWLSXTD-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3ccc4c(c3)NC(=O)CC4)nc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1643963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIFCIAYQABTKPW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRISAGOXBZQSI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(Nc2nc(Nc3cnn(C4CCNCC4)c3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBLCPBDVMUSESZ-WDEREUQCSA-N", "SMILES:C[C@H]1CNC(=O)c2cnn3cc(cnc23)N[C@H](C)c2cc(F)cc(c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMUZVZSTTXCLPB-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCN(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUYOYKXEXENTQ-ZDUSSCGKSA-N", "SMILES:CC1(C)C(=O)N([C@H]2CCc3c(O)cccc32)c2nc(S(C)(=O)=O)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQOZTZPJMJBMT-UHFFFAOYSA-N", "SMILES:COCCN1CCN(CCn2ccc(Nc3ncc4c(n3)C(C)Cc3nn(C)c(-c5ccccc5)c3-4)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZQXHXBFDAHQW-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN(C)C)ccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVTJOOUVDDUTJP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONJMNOASLKCPIX-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN4CCCCC4)ccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMJCRLYIHGODHL-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2cnc3cc(Cl)c(Nc4cc(C5CC5)[nH]n4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYKQTHTQTXEMN-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRMLUQEIHPLLY-UHFFFAOYSA-N", "SMILES:CCc1nc(C2CCCC2)n2nc(-c3ccc[nH]3)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUMFNUTUEARROF-UHFFFAOYSA-N", "SMILES:Nc1ncsc1C#Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497318", "category": ["biolink:ChemicalEntity"], "name": "CANNABIGEROL", "xref": ["InChIKey:QXACEHWTBCFNSA-SFQUDFHCSA-N", "SMILES:CCCCCc1cc(O)c(C/C=C(\\C)CCC=C(C)C)c(O)c1"], "synonym": ["Cannabigerol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL74415", "category": ["biolink:ChemicalEntity"], "name": "CANNABINOL", "xref": ["InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2"], "synonym": ["Cannabinol", "Cannabinol", "NSC-134455"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4170268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVTKBAIRFMXQQF-UHFFFAOYSA-N", "SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5171161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTMRZHYTZMJKX-RTBURBONSA-N", "SMILES:CCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"]}
{"name": "Inhibin alpha chain", "xref": ["CHEMBL.TARGET:CHEMBL5169109"], "id": "UniProtKB:P05111", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZSAXDKFXTSGL-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C(N)=O)ccc2n1CCCCn1/c(=N/C(=O)c2cc(C)nn2CC)[nH]c2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFDLKSEZWEFGL-NXNOSIDBSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2O[C@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCBNSCSPXMEBK-UUOQASLPSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2O[C@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRILCFTWUCUKJR-FLQQXUEZSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2O[C@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXMFTWFFKBFIN-PQVAUCAQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1O[C@H]2COP(=O)(O)O[C@H]3[C@@H](O)[C@@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5206214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRAPEBCUYSHAFV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1C)OC1C(CC(=O)O)=CC=CC1C2=O"]}
{"name": "Stimulator of interferon genes protein", "xref": ["CHEMBL.TARGET:CHEMBL5169097"], "id": "UniProtKB:F1M391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUDPJLXKKHPAB-UHFFFAOYSA-N", "SMILES:Cc1c(O)cc2c(=O)c3cccc(CC(=O)O)c3oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZNJBQHSUXYER-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cc2c(=O)c3cccc(CC(=O)O)c3oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBPXWYDDDGRPQV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c3cc(Br)cc(CC(=O)O)c3oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVGTQHWWAYAQR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(C)c(C)ccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCWTCXNJPYOGC-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(C)c1C)N1C(=O)CC3=CC=CC(C2=O)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGQIQJOYUKHHQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)c3cccc(CC(=O)O)c3[nH]c2c(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEGMPAQEVYHHHI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXJYHHOVIHSBO-HXUWFJFHSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C(N)=O)ccc2n1C[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOUZMINIBQVEY-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\[nH]c2cc(C=O)cc(OCCCN3CCOCC3)c2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBYAWPJNMFAKDJ-UHFFFAOYSA-N", "SMILES:O=C1C2CSC3(C(=O)c4ccccc4C3=O)N2C(=O)C2CSC3(C(=O)c4ccccc4C3=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1479227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHOCPVFXVFBLNN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ccccc12)c1cc2c(cc1Br)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTGBXYUCAVUQC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGQIXGHVJACFD-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2cc3c(cc2Br)OCO3)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIYMZJZAJBMLIL-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2cc(F)c(F)cc2Br)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVNCLJAYLLNFBG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1N1CCOCC1)c1cc2c(cc1Br)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUVDCCYSJEGQQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVGWJZGQFSRBG-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBIKQXOZLBLMKI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMVOHFICEFYHMK-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZDIKVQFMCLBE-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRVODPEKJGMQY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZULKQKLXQZPCZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(I)cc1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPRZTOJVSRDJN-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPFZWQUBLFNQIW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBFJFJGLAFDPHP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCVCUKSCYBOHGE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWGAKIGNXGAAQR-PKSDNKBDSA-N", "SMILES:CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@@H](CC)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL303336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLDCBJPLHBPJET-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYJPHBPGOHKHLW-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CC[Si]3(CCCc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTNBHZDGDVWLOZ-OVRIQYAISA-N", "SMILES:Cc1ccc([C@@H]2[C@H]3C=C(C=O)[C@@H](c4ccc(C)cc4)[C@H]([N+](=O)[O-])[C@@H]3C[C@]23C(=O)N(C)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTNBHZDGDVWLOZ-CBJQHUQPSA-N", "SMILES:Cc1ccc([C@@H]2[C@H]3C=C(C=O)[C@@H](c4ccc(C)cc4)[C@H]([N+](=O)[O-])[C@@H]3C[C@@]23C(=O)N(C)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUCHLRCLVDMCC-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(C)(C)c2cc3c(cc21)CCC1(CCc2cc(C(=O)O)ccc2O1)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQNINBDKGLWYMU-NUJWFBGISA-N", "SMILES:CO[C@H]1/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUZLIMFGHKWCDE-JATRMUIPSA-N", "SMILES:C#CCCCC(=O)OC(C)(C)C1CCC2(CO2)C(OC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRCAZLUXFADXPC-BEFAXECRSA-N", "SMILES:COc1ccc(Cn2nnc3c2[C@]2(CC[C@H]3OC(=O)NC(C)C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRCAZLUXFADXPC-KXBFYZLASA-N", "SMILES:COc1ccc(Cn2nnc3c2[C@]2(CC[C@@H]3OC(=O)NC(C)C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUSSDKSHVCPHQ-SQXJPETJSA-N", "SMILES:CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)CC(=O)N2CCCC[C@H]2C(=O)N[C@@H](C(N)=O)C(=O)N2CC[C@@H](C2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCC(N)=O)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZZLZKHZPMELC-SESXWZJBSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZRZKAPXEZHQNM-LKDNPKTDSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADZRAFJABQDJT-HURDRPMESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHZFEBZMBHOQIK-WHFCDURNSA-N", "SMILES:CC(O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nnc([C@@H](N)CO)s1)C(=O)O"]}
{"name": "V-type immunoglobulin domain-containing suppressor of T-cell activation", "xref": ["CHEMBL.TARGET:CHEMBL4523457"], "id": "UniProtKB:Q9H7M9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBSLRRWTGBLAON-TURZUDJPSA-N", "SMILES:O=C(CCCCCCC(=O)N/N=C/c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKTXZBJZADGNSE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CC(=O)N(CCO)C(=O)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKIYZUDBOQUME-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2sc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENSNLXOZNTKSB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)CSC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDRNIOSRBCEFQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(cccc13)C(=O)N(Cc1ccc(C(=O)NO)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CANWDEIXRLUGKE-UHFFFAOYSA-N", "SMILES:CCCC1=C(Nc2ccc(C(=O)NO)cc2)C2N=CC=CC2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HODUVHDQSKKCDF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccc(-c2cc(C(=O)NCCc3cc(C(=O)NO)no3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPHHUWFMYISDF-UHFFFAOYSA-N", "SMILES:Cc1nc(N)nc(COC(=O)c2cccc(-c3cc(C(F)(F)F)on3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBYXNBJLPQOHM-UHFFFAOYSA-N", "SMILES:O=S(=O)(N1CCN(C2COC2)CC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZLMQMSSNANJH-UHFFFAOYSA-N", "SMILES:O=S(=O)(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIUOABSWQSUEGK-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccn2)nc(NCCc2ccccc2)c1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL90430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVSDODCADLIIN-UHFFFAOYSA-N", "SMILES:NCCC(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXSMOJVKBJLAW-UHFFFAOYSA-N", "SMILES:CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)C(N)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFDRGRIBSABAD-UHFFFAOYSA-N", "SMILES:CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)CC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKKRATYQJWGNE-UHFFFAOYSA-N", "SMILES:CC(C)CC(C(=O)NO)C(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRAINPLMZGHVDY-XJHGEDELSA-N", "SMILES:CC1=C[C@H]2[C@@]3(O)[C@H](C)C[C@]4(OC(=O)Cc5cccc6ccccc56)[C@H]([C@@H]3C=C(CO)C[C@]2(O)C1=O)C4(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNKFFCBZYFGCQN-VWUOOIFGSA-N", "SMILES:O=C(/C=C/c1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL400345", "category": ["biolink:ChemicalEntity"], "name": "COLUMBAMINE", "xref": ["InChIKey:YYFOFDHQVIODOQ-UHFFFAOYSA-O", "SMILES:COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL251055", "category": ["biolink:ChemicalEntity"], "name": "JATRORRHIZINE", "xref": ["InChIKey:MXTLAHSTUOXGQF-UHFFFAOYSA-O", "SMILES:COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3401107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQNUHCFWUDZRO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3cccc(C(F)(F)F)c3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAOHZVCVDBIQAP-CYBMUJFWSA-N", "SMILES:N[C@@H]1COCC12CCN(c1cnc3c(Sc4cccc(Cl)c4Cl)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMILDZMKNHARY-UHFFFAOYSA-N", "SMILES:NCC1CCN(c2ncc(-c3cccc(Cl)c3Cl)cc2CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQXRTDDTNFDAEB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)nc1COc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIURVDLGHFQIU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2ccc(OC)cc2)nc1COc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJAQYCPIRRSEA-VFNLIZJFSA-N", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)c3c(O)c4c(c(O)c3C(=O)CC2C1(C)C)C[C@H](C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDMHJFKPACPKA-VWLOTQADSA-N", "SMILES:CCCCCCCCCCCC(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5208593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGYSDWIZCHBOH-QUGAMOGWSA-N", "SMILES:CCCCCCCCCC[C@@H](C)C(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5194477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZUPEDPADUBWHX-QSYMJUOESA-N", "SMILES:C/C(=C\\[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5208420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMLOLMOZTQCQJF-LZYBPNLTSA-N", "SMILES:O=C(O)c1ccccc1-c1ccc(/C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMKFRACKIHNRN-BSYVCWPDSA-N", "SMILES:O=C1/C(=N/Nc2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3186656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBVNTTZIOTWDSV-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDSTASCLPLIBL-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVRVPIXWXOKQO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBSJGXOQHYGEI-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARNJIILWEVFCOO-CSKARUKUSA-N", "SMILES:COc1ccc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHZLAMPOISSTL-WYMLVPIESA-N", "SMILES:COc1cc(/C=C/C(=O)N(CCC2CCN(Cc3ccccc3)CC2)CC(=O)Nc2c(C)cccc2Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKJKOIRYVRHGO-UKTHLTGXSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CN(CCC3CCN(Cc4ccccc4)CC3)C(=O)/C=C/c3ccc(O)c(OC)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIMNCRAYKQYYMB-HKOYGPOVSA-N", "SMILES:COc1ccc2nc3c(c(NCCCCCCCCN(CC(=O)Nc4ccc5ccccc5c4)C(=O)/C=C/c4ccc(O)c(OC)c4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPGARZVRARJGGJ-AWNIVKPZSA-N", "SMILES:O=C(/C=C/CCc1ccc2c(c1)OCO2)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLQZBOBNOHGGPT-FYWRMAATSA-N", "SMILES:COc1ccc(/C=C/C(O)NCCCNc2c3c(nc4ccccc24)CCCC3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQSTWRTKNOMPM-BMRADRMJSA-N", "SMILES:COC(=O)/C=C/c1ccc(OCCCCCN2CCN(CC(=O)Nc3c4c(nc5ccccc35)CCCC4)CC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAELRVBKGQGVOE-WYMLVPIESA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCN(C)Cc2cccc(OC(=O)N(C)C)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRWMCJXGMSTNHF-XUTLUUPISA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCc3ccccc3C2)ccc1OCCCCN(CNCc1ccccc1)CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMRPJQXUWKRSHI-FBMGVBCBSA-N", "SMILES:O=C(NCc1ccccc1)C(c1cnc2ccccc2c1)N(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWPXURUZFNABBT-FBMGVBCBSA-N", "SMILES:O=C(NCc1ccccc1)C(c1cc2ccccc2nc1Cl)N(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOHMZAYWHCYGT-IQRXXKDYSA-N", "SMILES:O=C(CCCCC1CCSS1)O[C@H]1C[C@H]2O[C@H](OC(=O)NCc3ccccc3)C[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRHJMUPVIFJFGU-NFQYUROUSA-N", "SMILES:COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3O[C@H](OC(=O)Nc4ccccc4)C[C@H]3O2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNVSPQRAHMQWTK-MKGMRVHHSA-N", "SMILES:CCCCNC(=O)O[C@@H]1C[C@H]2O[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)C[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFGPZUQMRQWSU-FFDCSCEMSA-N", "SMILES:CCCCNC(=O)O[C@@H]1C[C@H]2O[C@@H](OC(=O)CCCCC3CCSS3)C[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGFCAQRAGTWLF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)[O-].O=C(/C=C/c1cc(O)c(O)c(O)c1)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBBQRIPKVMMHGC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)[O-].O=C(/C=C/c1ccc(O)c(O)c1)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTFWJUWTBOXCY-UHFFFAOYSA-O", "SMILES:C[N+](C)(C)CCNC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQOQNLXJDCXHD-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/c2nnc(-c3ccc(C(F)(F)F)cc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDXNOXGBBUGQSX-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/c2nnc(-c3ccc(OC(F)(F)F)cc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYOKZRSSHWDBAN-BXTVWIJMSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2cc[n+](Cc3cccc(F)c3)cc2)cc1OC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNZQLOSWVNPEP-AAGWESIMSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2cc[n+](Cc3ccc(F)cc3)cc2)cc1OC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAMAVNRUUVIENK-JXMROGBWSA-N", "SMILES:C=CCc1ccc(OC(=O)/C=C/c2ccc(O)c(O)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIGLWODWHQAVBK-PKNBQFBNSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSUEBMMIJWARK-CSKARUKUSA-N", "SMILES:COc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1940390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMNIDBFNHVRBD-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)OCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5181119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGPGXGLJMONNT-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cnc2c(c1)c(Cc1ccc(F)cc1)cn2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFEOQOBYMAUEQW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Cc2ccccc2)c2cccnc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOWNNPKBATYOEX-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMSMAWTXXVTQGG-SECBINFHSA-N", "SMILES:COc1ccc(Cl)c([C@@H](C)n2cnc3ccc(Br)cc32)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCMSHPEVDOMQA-VGOFRKELSA-N", "SMILES:COc1ccc(Cl)c([C@@H](C)n2cnc3ccc(-c4ccccc4[C@H]4CCCCN4)cc32)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJWHCNGSBCZMI-HUUCEWRRSA-N", "SMILES:C[C@H](c1c(Cl)ccc(C2CC2)c1Cl)n1cnc2cnc(-c3ccccc3[C@@H](C)C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGBVZMMGEFPKJB-SECBINFHSA-N", "SMILES:C[C@H](c1c(Cl)ccc(C2CC2)c1Cl)n1cnc2cnc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJWHCNGSBCZMI-YSSOQSIOSA-N", "SMILES:CC(C(=O)O)c1ccccc1-c1cc2c(cn1)ncn2[C@H](C)c1c(Cl)ccc(C2CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQCYJWETPLOAT-YHLDCJFRSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CCCCN)C(N)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUIGRHSJSVNEQY-HRZXLNMMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCOCCOCCC(=O)NCOCCOCCC(=O)NC(CCCCNC(=O)CCOCCOCNC(=O)CCOCCOCNC(=O)CNC(=O)CNC(=O)CNCCCn1cc(-c2cccc(-n3nc(-c4ccc(Cl)cc4)c4c(N)ncnc43)c2)nn1)C(=O)N[C@@H](CCC(=O)O)C(=O)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBRNKEMUALCIHZ-FGHXTESNSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)CCCCCCCC(=O)N1CCN(C2N=CN=C3NC=CC32)CC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNZIIAXRCLRJR-SQIMYGGZSA-N", "SMILES:C[C@@H](NC(=O)CCCCCNC(=O)c1ccc(-c2ccnc(N)n2)[se]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN(C)c1ccc2c(-c3ccc(C(=O)[O-])cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZFKVXKMXOQLDY-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCC(NC(=O)CCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)c1ccc(-c2ccnc(N)n2)[se]1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMNASNCVJBROK-UHFFFAOYSA-N", "SMILES:CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)C(=O)CN(CC(=O)OCOC(C)=O)C(=O)CN(CC(=O)OCOC(C)=O)C(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBURXUVXTSPYQH-UHFFFAOYSA-N", "SMILES:C#CCCCCNC(=O)CCCCCn1nc(N)c2cc(-c3c(-c4ccccc4)nn4ccccc34)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGIUVZZRMNTCW-ROWIMLMOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)C(N)CCCCn1cc(CCCCNC(=O)CCCCCn2nc(N)c3cc(-c4c(-c5ccccc5)nn5ccccc45)nnc32)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKZPXDNPVSTLC-RMMWAGDVSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJVXYAATASWDDD-MDMMGAIVSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFDYQYPQNIBMER-JYIPIEKWSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMPDCWPJYMOPN-HEZDBXPZSA-N", "SMILES:Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYKWVONBHBLSF-CIYMDCJZSA-N", "SMILES:CCC(C)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(C)=O)C(=O)N[C@H](Cc1ccc(NC(=O)CCCCCn2cc(-c3ccc(-n4nc(-c5ccc(Cl)cc5)c5c(N)ncnc54)cc3)nn2)cc1)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJVEWCPMAVUMM-UHFFFAOYSA-N", "SMILES:C#CCCC(=O)N1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPUIUXOSKVBJQD-PPRXXUIKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(P(=O)(O)O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)N2CCN(c3cc(Nc4cc(C5CC5)[nH]n4)nc(C)n3)CC2)nn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTRVQNSMOJXCM-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)CCSCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)C(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOQRDOJMKQYQRN-UHFFFAOYSA-N", "SMILES:O=C(CCS)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1"]}
{"name": "Mitogen-activated protein kinase 7", "xref": ["CHEMBL.TARGET:CHEMBL5169206"], "id": "UniProtKB:Q9WVS8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZCAOGIEGXMBZ-UHFFFAOYSA-N", "SMILES:CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGZJEWJXAGHOP-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2ccc3nc(N)oc3c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYZKOYPUHEFPY-UHFFFAOYSA-N", "SMILES:COc1cc2ncn(-c3cc(-c4cccc(C(F)(F)F)c4)c(C(N)=O)s3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFTVGHRWHLBOH-TZFCGUKBSA-N", "SMILES:C[C@H](CC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O)c1cncs1)NC(=O)c1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATYWMOJLKTXCL-IOWSJCHKSA-N", "SMILES:C[C@@]12CN(Cc3cccc(C#N)c3)C[C@@](C)(C1)c1c(-c3ccc4ccccc4c3)ccc(=O)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHTASHQCOAXTTF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1oc2ccccc2c1CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYJBYPNDWNZAH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBBZJHLFUPKHJD-CQSZACIVSA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDBHYEWJIDFLOA-QGZVFWFLSA-N", "SMILES:O=C(O)C[C@@H]1COc2cc(OCc3ccc4nc(-c5ccc(C(F)(F)F)cc5)cn4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNAMCLMCBLNOL-DCFHFQCYSA-N", "SMILES:Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CC[C@@H]2Oc1ccc2c(c1)OC[C@@H]2CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQANQPBUSXASMN-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC)cc4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWIJJYSOXZQGQL-UHFFFAOYSA-N", "SMILES:Cn1nc(COCc2ccccc2F)c2c1CCN(Cc1ccc(COc3ccc(CCC(=O)O)cc3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCBVSUBUXNYHDC-UHFFFAOYSA-N", "SMILES:CC1(C)C2CCC1(C)C(NCc1ccc(COc3ccc(CCC(=O)O)cc3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOTOSAGBNXXRRE-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKNLUPGNCXUNGB-GTKRZRNESA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVNIPWOIOANKD-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFIVDLKCOEUTJ-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFIVDLKCOEUTJ-LETRWZBTSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSJHTDQVEXWUPB-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSJHTDQVEXWUPB-LETRWZBTSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTGXQTGEBSPMFE-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTGXQTGEBSPMFE-LETRWZBTSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQJFCLCDTHFVNB-LETRWZBTSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZJNZJJMESWONI-JPYDVTDNSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccc(O)c(Br)c1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQJFCLCDTHFVNB-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOHYLPUZPVSBC-LETRWZBTSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOHYLPUZPVSBC-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPQFQLVDGOJHH-LETRWZBTSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPQFQLVDGOJHH-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXOWANNFRKHDF-JPYDVTDNSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccc(O)c(Br)c1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQHBEOWMFPIIDR-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOKNYDHONCYNU-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOKNYDHONCYNU-LETRWZBTSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUBGJSZOGNNBEQ-LETRWZBTSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUBGJSZOGNNBEQ-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL47009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISEYJGQFXSTPMQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(CP(=O)(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZASEPMMGWJWOV-YUMQZZPRSA-N", "SMILES:NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUAIXCVBDDVIPJ-KNDINEGYSA-N", "SMILES:CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCc3cn(CCCNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc4cccc(Cl)c4)nn3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUKQDBVJHBLZJI-RNANNXKZSA-N", "SMILES:CN1/C(=C/C=C2/C=C(/C=C/C3=[N+](CCCCCC(=O)NCc4cn(CCCNC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](Cc5ccccc5)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc5cccc(Cl)c5)nn4)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CCC2)C(C)(C)c2cc(S(=O)(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGXPFRBKSFILT-NVXWUHKLSA-N", "SMILES:CCCCCN1C[C@@H]2[C@@H](C1)OCc1c(-c3ccccc3)nnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGBCMQYDJZLBR-IEBWSBKVSA-N", "SMILES:Fc1ccccc1-c1nnn2c1CO[C@@H]1CN(Cc3ccccc3)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDWTQIZHUWYLB-IEBWSBKVSA-N", "SMILES:Fc1cccc(-c2nnn3c2CO[C@@H]2CN(Cc4ccccc4)C[C@H]23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGBCMQYDJZLBR-HKUYNNGSSA-N", "SMILES:Fc1ccccc1-c1nnn2c1CO[C@H]1CN(Cc3ccccc3)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDWTQIZHUWYLB-HKUYNNGSSA-N", "SMILES:Fc1cccc(-c2nnn3c2CO[C@H]2CN(Cc4ccccc4)C[C@@H]23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNAQNXQYZLMIPH-SJLPKXTDSA-N", "SMILES:Fc1ccc(CN2C[C@@H]3[C@@H](C2)OCc2c(-c4ccccn4)nnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNAQNXQYZLMIPH-WMZOPIPTSA-N", "SMILES:Fc1ccc(CN2C[C@@H]3OCc4c(-c5ccccn5)nnn4[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUCWPXLHAVYLD-SJLPKXTDSA-N", "SMILES:Fc1ccc(CN2C[C@@H]3[C@@H](C2)OCc2c(-c4cccnc4)nnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLUPRMVFMCSQMB-SJLPKXTDSA-N", "SMILES:Fc1ccc(CN2C[C@@H]3[C@@H](C2)OCc2c(-c4ccncc4F)nnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESYIYOUBGXVMI-NVXWUHKLSA-N", "SMILES:Fc1ccc(CN2C[C@@H]3[C@@H](C2)OCc2c(-c4ncccc4F)nnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBQGPFZOQCYGRT-SJLPKXTDSA-N", "SMILES:Fc1ccc(CN2C[C@@H]3[C@@H](C2)OCc2c(-c4ccc(F)cn4)nnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOMRXYICBJJCT-SJLPKXTDSA-N", "SMILES:Fc1ccc(CN2C[C@@H]3[C@@H](C2)OCc2c(C4CCOCC4)nnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIDIKARLEUHSPK-IEBWSBKVSA-N", "SMILES:CN1CCC(c2nnn3c2CO[C@@H]2CN(Cc4ccc(F)cc4)C[C@H]23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSGNQCRZJJWHT-SJLPKXTDSA-N", "SMILES:Fc1ccccc1-c1nnn2c1CO[C@@H]1CN(Cc3cccnc3)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORMYYLYGYPTTO-NVXWUHKLSA-N", "SMILES:Fc1ccccc1-c1nnn2c1CO[C@@H]1CN(Cc3ccc(C(F)(F)F)nc3)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXPKDVTVWXDDK-SJLPKXTDSA-N", "SMILES:COc1ccc(CN2C[C@@H]3[C@@H](C2)OCc2c(-c4ccccc4F)nnn23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXPKDVTVWXDDK-WMZOPIPTSA-N", "SMILES:COc1ccc(CN2C[C@@H]3OCc4c(-c5ccccc5F)nnn4[C@H]3C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNKARQSBYMDAFE-SJLPKXTDSA-N", "SMILES:COc1ccc(CN2C[C@@H]3[C@@H](C2)OCc2c(-c4cccc(F)c4)nnn23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDGYETAZOZBDHE-NVXWUHKLSA-N", "SMILES:Fc1ccccc1-c1nnn2c1CO[C@@H]1CN(C3CCOCC3)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDGYETAZOZBDHE-RDJZCZTQSA-N", "SMILES:Fc1ccccc1-c1nnn2c1CO[C@H]1CN(C3CCOCC3)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHLJXXYXMXBPCH-HOCLYGCPSA-N", "SMILES:Fc1ccc(-c2nnn3c2CO[C@H]2CN(C4CCOCC4)C[C@@H]23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNPZSRQQTYVNX-SJLPKXTDSA-N", "SMILES:Fc1ccccc1-c1nnn2c1CO[C@@H]1CN(CC3CCOCC3)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNPZSRQQTYVNX-WMZOPIPTSA-N", "SMILES:Fc1ccccc1-c1nnn2c1CO[C@H]1CN(CC3CCOCC3)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRGNXKQUJMNME-SJLPKXTDSA-N", "SMILES:Clc1ccc(-c2nnn3c2CO[C@@H]2CN(CC4CCOCC4)C[C@H]23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXSBEWUZWQANBY-IEBWSBKVSA-N", "SMILES:Fc1ccc(-c2nnn3c2CO[C@@H]2CN(CCC4CCOCC4)C[C@H]23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBGSTZUHDQZOBG-RDJZCZTQSA-N", "SMILES:Fc1ccc(-c2nnn3c2CO[C@H]2CN(C4CCOCC4)C[C@@H]23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDWTQIZHUWYLB-MJGOQNOKSA-N", "SMILES:Fc1cccc(-c2nnn3c2CO[C@H]2CN(Cc4ccccc4)C[C@H]23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGBCMQYDJZLBR-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1nnn2c1COC1CN(Cc3ccccc3)CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDWTQIZHUWYLB-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2nnn3c2COC2CN(Cc4ccccc4)CC23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTHXFBVYRBBEJ-RDJZCZTQSA-N", "SMILES:FC(F)(F)c1ccc(-c2nnn3c2CO[C@H]2CN(C4CCOCC4)C[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVCGAUADRZZLFE-RDJZCZTQSA-N", "SMILES:FC(F)(F)c1ccc(-c2nnn3c2CO[C@H]2CN(C4CCOCC4)C[C@@H]23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYUAIFZPLIHUST-UHFFFAOYSA-M", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CCCc1cc2c(cc1-3)OCO2.CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTDRGLUOYWWQB-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OC(=O)c1ccc(F)nc1)CCc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQLLKVLLLAJPD-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OC(=O)c1ccccc1)CCc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCNHZILZWHLTKC-UHFFFAOYSA-M", "SMILES:COCCCCC(=O)Oc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGNOGOYAWRGGAD-UHFFFAOYSA-N", "SMILES:COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXKGSZFIDLVIFQ-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)-c1cc3ccc(O)c(O)c3c[n+]1CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520014", "category": ["biolink:ChemicalEntity"], "name": "DEHYDROCURVULARIN", "xref": ["InChIKey:AVIRMQMUBGNCKS-RWCYGVJQSA-N", "SMILES:C[C@H]1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1"], "chembl_natural_product": true}
{"name": "Gem-associated protein 4", "xref": ["CHEMBL.TARGET:CHEMBL5169137"], "id": "UniProtKB:P57678", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCZIMUMAPGQEBH-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCCNCC2CCc3[nH]c4ccc(F)cc4c3C2)c2ccc(F)cc2)cc1"]}
{"name": "Vacuolar protein sorting-associated protein 4B", "xref": ["CHEMBL.TARGET:CHEMBL2311229"], "id": "UniProtKB:O75351", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJPUMGWNNKTDP-DMBZOWHKSA-N", "SMILES:[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Sc2ncc(COc3cc(F)c(C#CCOC(=O)NC4CCN(C)CC4)cc3F)n2-c2cccnc2)C1([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOCXUWXNFYXKC-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCCNC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXCCODWEPMLLB-GFCCVEGCSA-N", "SMILES:C[C@@H]1CNCCN1c1nc(Nc2cc(C(C)(C)C)[nH]n2)c2cccc(F)c2n1"]}
{"name": "Spastin", "xref": ["CHEMBL.TARGET:CHEMBL5169173"], "id": "UniProtKB:Q8I0P1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1624459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAIMUUJJAJBPCL-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1"]}
{"name": "Eukaryotic translation initiation factor 4 gamma 2", "xref": ["CHEMBL.TARGET:CHEMBL5169160"], "id": "UniProtKB:Q62448", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPABSCSMTWXIFP-CYBMUJFWSA-N", "SMILES:C[C@@H]1CNCCN1c1nc(Nc2cc(C(C)(C)C)[nH]n2)c2ccccc2n1"]}
{"name": "Spastin", "xref": ["CHEMBL.TARGET:CHEMBL5169203"], "id": "UniProtKB:Q9UBP0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNOLTAKAPDKZRY-AWEZNQCLSA-N", "SMILES:CC(C)[C@@H]1CN(c2nc(Nc3cc(C(C)(C)C)[nH]n3)c3cc[nH]c3n2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMWOVSZRFTRPV-LLVKDONJSA-N", "SMILES:CC(=O)NC[C@@H](C)Oc1ccc2ncc(-c3cc4ccc(O)cc4o3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYAWUKJQKIZFY-VFLRZCOOSA-N", "SMILES:CC(=O)C1CCCCc2cc(O)cc(O)c2C(=O)O[C@@H](C)C/C=C\\C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZEMZJWMSGEZPK-UHFFFAOYSA-N", "SMILES:COc1cc2[nH]ncc2cc1Nc1ccnc2[nH]c(S(=O)(=O)c3ccc(C)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXFMIUPGZFSPK-UHFFFAOYSA-N", "SMILES:COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2[nH]cc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHVQJWCQJWHQOK-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(Cl)cc1Nc1ncnc2[nH]c3c(c12)CC(C(=O)NC1CC1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTOQFKLQNHKULZ-UHFFFAOYSA-N", "SMILES:Nc1cccc2c1cnn2-c1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGWEKLFSKGXQA-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTZKRRFKIKIADV-UHFFFAOYSA-N", "SMILES:CN1CCC(C(=O)Nc2ncc(-c3ccccc3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLIORPUQKOJRDE-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(F)ccc1Nc1ncnc2cc(C(=O)NCCCN(C)C)n(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415324", "category": ["biolink:ChemicalEntity"], "name": "TRANILAST", "xref": ["InChIKey:NZHGWWWHIYHZNX-CSKARUKUSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC"], "synonym": ["Tranilast", "Tranilast", "Tranilast", "Rizaben", "Tranilast", "MK-341", "NSC-758970", "Tranilast"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5183721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZSWKDFGUWVJJ-SFTDATJTSA-N", "SMILES:CCOc1nc(N)c2nc(-c3cncc(F)c3)n(Cc3ccc(CN4C[C@@H]5C[C@H]4CN5C)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJUCCOLHSAZPO-GOTSBHOMSA-N", "SMILES:CCOc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc(CN4C[C@@H]5C[C@H]4CN5C)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFYDRYRLOHSBD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc3cc(O)ccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKGGVGQAVODNJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccnc3c(C(N)=O)cnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWJHLOIRLLAAK-UHFFFAOYSA-N", "SMILES:CNCc1ccc(C(=O)Nc2nc(N3CCN(C4CCCC4)CC3)c3ncn(CCCN4CCCC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJBOCUIFVQHBW-YOEHRIQHSA-N", "SMILES:C[C@H]1CN(c2ccc(C#N)c3nccnc23)C[C@@H]1C(=O)NC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDIGEVODPAZVFS-FZKQIMNGSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)C[C@H](C(=O)NC2CCN(C)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STWJRRQLEOCSIF-LJWPGGNMSA-N", "SMILES:COC12CNCC1CN(c1ccc3c(c1)CN1[C@H](C)CN(c4ccc(C#N)c5ncccc45)C[C@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUHSBGRCNJJIK-RDGATRHJSA-N", "SMILES:Cc1cc(N2CCOC3(CN(C[C@H]4CN(c5ccc(C#N)c6ncccc56)C[C@@H](C)O4)C3)C2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBHELMHVHQEEY-UHFFFAOYSA-N", "SMILES:CCN(C)CC(=O)NC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSXUXCWTDUVSZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTSHTQSPIKHBMM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccccc2)ccn1)c1[nH]ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRTDCIJKOJDFER-UHFFFAOYSA-N", "SMILES:O=C(O)c1n[nH]c(-n2cnnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGTCMCVJBJKSBL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2n[nH]c(-n3cnnc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCQPLARUWCECQR-PBHICJAKSA-N", "SMILES:Cc1nc(N2C[C@@H](CC(=O)Nc3ccncc3)C[C@H]2C(=O)O)c2oc3ccccc3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQEFAQYDQCAKMD-UHFFFAOYSA-N", "SMILES:COc1cccc2oc(-c3c(C#N)[nH]c4c(-c5ccccc5)c(C(F)(F)F)nn4c3=O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZRKOEFDAMONOT-UHFFFAOYSA-N", "SMILES:Cc1[nH]n2c(-c3ccccc3)c(C#N)nc2c(=O)c1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOXVKQTERWXMC-UHFFFAOYSA-N", "SMILES:COc1cc2c(-n3ccnc3)ccnc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESLDVJZELIGBW-QYIWAXTFSA-N", "SMILES:CC[C@@H]1CC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](CC)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWIYOHZPAVWXFX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTXXMIAUEKKFFT-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1ccc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUDVPOTLPCPCL-XNTDXEJSSA-N", "SMILES:CCC/C=C/C(=O)Nc1cc(Nc2ncc(-c3cc4ccccc4n3C)c(C)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USYANSSQIAFFBL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC(N)=S)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQKCXWJRSFBJP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC(N)=S)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEKCJRYZGASLN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(SCCCN4CCOCC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMBGVRPDJXORI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(SCC(=O)N4CCOCC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGTJZAKCIVQOPI-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2ncnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMAIPGTFTXFPX-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2ncnc3[nH]ccc23)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTTWFQUHUQLZGF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(n2nc(-c3ccc4ccccc4c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSCIFOFCMWXSU-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(F)cc2)c2c(Nc3ccc(F)c(Cl)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPPPPQDZNFKKED-UHFFFAOYSA-N", "SMILES:CC1=NNC2=NC(=O)NC(c3ccccc3Br)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGEFZXVCNJQCQK-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2c1C(c1ccccc1Br)c1c(ncn(N)c1=N)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYPNZAVBHDSPIT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3nc(-n4[nH]c(C)cc4=O)[nH]c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSKFQACJLAHKS-UHFFFAOYSA-N", "SMILES:Fc1cccc(COc2ccc(Nc3ncnc4sc5c(c34)CCCC5)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLUCJAQPYRMANV-UHFFFAOYSA-N", "SMILES:CC#CC1=Nc2cc(Nc3nccc(-c4cn(C)c5ccccc45)n3)ccc2C(C)(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVTUSGVAKLYHHB-UHFFFAOYSA-N", "SMILES:Cc1c(-c2nocc2C(=O)SC#N)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOOPPRLRYRXMSW-CMDGGOBGSA-N", "SMILES:O=C(O)c1cccc(/C=C/c2ccc(Oc3cnoc3-c3ccccc3Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXMZRXETGDLAD-BQYQJAHWSA-N", "SMILES:O=C(O)c1cccc(/C=C/c2ccc(Oc3cnoc3-c3cccc(Cl)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIQQQFUGTZHBFJ-BQYQJAHWSA-N", "SMILES:O=C(O)c1cccc(/C=C/c2ccc(Oc3cnoc3-c3cccc([N+](=O)[O-])c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLNZLORMRCVCA-SNAWJCMRSA-N", "SMILES:O=C(O)c1cccc(/C=C/c2ccc(Oc3cnoc3-c3ccc(Cl)c(Cl)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFVLUPZYGKOOF-UHFFFAOYSA-N", "SMILES:COc1onc(-c2ccc(O)cc2)c1-c1oc2ccccc2c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQUANRMBXHXCY-DJKKODMXSA-N", "SMILES:O=C(N/N=C/c1coc2ccccc2c1=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2382219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPNXIZGWOXDRMD-UHFFFAOYSA-N", "SMILES:C=CCn1c(C)nc2ccc(Nc3nc(N4CCN(C)CC4)nc4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYZIHREDNYUQC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccccc3O)nc(N)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMMUNGKBIHKTG-UHFFFAOYSA-N", "SMILES:COCc1nc2ccc3occc3c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTWRQYQTOUEAK-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(C)C(=O)O/N=C(\\N)c3ccc(OC)c(OC)c3)ccc2c1"]}
{"name": "Cytochrome c oxidase subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL1250404"], "id": "UniProtKB:O78750", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9940"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTYUDVOWOWVZSA-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(C)C(=O)O/N=C(\\N)c3ccc(Cl)cc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPYPTEAAFNYLBL-JVWAILMASA-N", "SMILES:Cc1ccc(/C=N/NC(=O)CNc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGGUQTYDIRZGO-OZPDOQDOSA-N", "SMILES:C=C(/C=C\\C)/C(CSc1nnc(-c2cc(-c3ccc(OC)cc3)nc3ccccc23)n1-c1ccccc1)=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNNKFJCDZISDC-UQQQWYQISA-N", "SMILES:CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\\c1cn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGWGMHMKRQONI-XYOKQWHBSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cc(-n3cc(CN4C(=O)C(=O)c5ccccc54)nn3)ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYHKPJJFJZAKC-OYKKKHCWSA-N", "SMILES:C/C(=N/Nc1ccc(C(=O)O)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFTVUQLBMKWHJN-ZRDIBKRKSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPFFKDISJSYJPK-UCQKPKSFSA-N", "SMILES:CC1=C(CC(=O)Sc2ccccc2)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4202777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGLNUHZGXXOQI-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJHSGFRVFAUWGV-UHFFFAOYSA-N", "SMILES:CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CCC(=C(F)CN)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUKWZMALCNEIIF-FOWTUZBSSA-N", "SMILES:CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC/C(=C(\\F)CN)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACMIJDVJWLMBCX-UHFFFAOYSA-N", "SMILES:CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC4CCNC4C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLGMVKDCPVVQJQ-UHFFFAOYSA-N", "SMILES:CCC(CN)=C1CN(c2nc(Oc3cnc(C)nc3)nc3[nH]c4c(NC)cc(F)cc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PERDLRSXOLOKKO-UHFFFAOYSA-N", "SMILES:CCCC(CN)=C1CN(c2nc(Oc3cnc(C)nc3)nc3[nH]c4c(NC)cc(F)cc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJXHJWNJSROCQ-UHFFFAOYSA-N", "SMILES:C=CCC(CN)=C1CN(c2nc(Oc3cnc(C)nc3)nc3[nH]c4c(NC)cc(F)cc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPKWEBQBHXJATH-UHFFFAOYSA-N", "SMILES:CCC(CN)=C1CN(c2nc(Oc3cnc(C4CC4)nc3)nc3[nH]c4c(NC)cc(F)cc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUOFTHKMGQZTCU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(OCCCCCCC(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQNFNAVAXBXPLV-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(OCCCC(=O)NO)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEAGAORBIBVWFW-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(OCc4ccc(C(=O)NO)cc4)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWESWSXTEMTXOL-OUKQBFOZSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(O/C=C/c4ccc(CC(=O)NO)cc4)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVSBNNNQURJPMU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)CC(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXUOJZKROYWPPV-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)CCCC(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICNXQGIQKLFLOX-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)CCCCC(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOPVYENWJZJIIK-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)CCCCCC(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGICGPIICUVLIA-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)CCCCCCC(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJDJSFFTJNNUFB-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)c4ccc(C(=O)Nc5ccccc5N)cc4)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVUXINMOHSPWBH-OUKQBFOZSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)/C=C/C(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGMPVMOPMMAPD-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)CCC(=O)NO)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUQZVZEFFVLGM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)CCCC(=O)NO)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTQIUYZKFIUIV-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)CCCCC(=O)NO)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBFRACIBROUAEV-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)CCCCCC(=O)NO)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSSHYRGSWURQPK-CMDGGOBGSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NC(=O)/C=C/C(=O)NO)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZQWFCVURBGBJM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NCC(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQOLCZKNOHSFNL-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(NCCC(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMUVACFBUHHDG-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(C#CCCC(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXQSXNIYYZXAOV-JLHYYAGUSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(/C=C/C(=O)Nc4ccccc4N)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMBWNRPIMMTKAO-RMKNXTFCSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc(/C=C/C(=O)NO)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZEMDWPKLKAUOH-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNNVYJLAAHMSN-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)c(=O)c(C(=O)O)cn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHFUBRYLIUUTM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHFXTGCETZSJS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)O)cn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWXTGIXDQMCJG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSZWWYLGGKSFME-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(Oc3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWANCHTYHZMSOF-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc2c(c1)c(=O)c(C(=O)O)cn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUVAJJWGHEAHQ-UKTHLTGXSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)c(=O)c(C(=O)O)cn2Cc1ccc(F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKWPOLWPSMLJOG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQQSEJGPLMJGJG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3cccc(Cl)c3Cl)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWJAEQQTJOFLY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMEAOCJJCRVBNW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3cccc4ccccc34)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPFWDBHDUVHQPB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc4ccccc4c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMOKRMKAPAPNR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc4c(c3)OCO4)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTNNOXTCVMRCZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(OCCCCc3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMOTTZYLZXXRZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXJREYBOUNOYFU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(Oc4ccccc4)cc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPDODRAFFXTFR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVHURORZXWXWCJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(C(C)=O)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXYPHDTLSMUCL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGZBIBSJRTZWJF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Oc3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550937", "category": ["biolink:ChemicalEntity"], "name": "BETA-THUJAPLICINOL", "xref": ["InChIKey:HVGNSPLLPQWYGC-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(O)c(=O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5184868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWUEXFXTPRVHL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCCCCc3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJBTXAJOXJXYPR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc4c(c3)OCO4)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWJCVFJVHKNPH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc4ccccc4c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFYRRCYIDSQGP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3cccc4ccccc34)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPIMBEHFAZBCTI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUMNFZZOIXLIH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3cccc(Cl)c3Cl)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBGCTACPZANUBW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTTBPBLMZZIQRQ-RVDMUPIBSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(/C=C/C(=O)c3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJXNQCSLBYVNOT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(=O)NCCNC3=CC(=O)c4cc[nH]c4C3=O)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDAKLCVNBJVDEK-UHFFFAOYSA-N", "SMILES:CC1=C(NC2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKYVKJVQXJPSV-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2c1ccc1c2c(=O)oc2c3ccccc3ccc12"]}
{"name": "Arylsulfatase A", "xref": ["CHEMBL.TARGET:CHEMBL2193"], "id": "UniProtKB:P15289", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDXLXMWVSKJDH-IAGOWNOFSA-N", "SMILES:CCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURJBXYTSFIOOT-LSDHHAIUSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CC)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5190596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRXESQKGXYDOL-DLBZAZTESA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKUWGCTBUVNJQ-RBUKOAKNSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCCC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXSSPKCKKQQUFQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2c([nH]c3ccccc32)c(C(C(=O)NC(C)(C)C)N(Cc2ccc(CC)cc2)C(=O)c2ccccc2)n1"]}
{"name": "Trypanothione reductase", "xref": ["CHEMBL.TARGET:CHEMBL2176840"], "id": "UniProtKB:P39050", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5661"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNYATWUFHGDHT-UHFFFAOYSA-N", "SMILES:C=C(C1c2[nH]c3ccccc3c2CCN1C(=O)OC(C)(C)C)N(CC(=O)NC(C)(C)C)Cc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMEMOEKJTJMMJN-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCN(C(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHFWXQNWPRKNA-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCN(C(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)N(C)C3=O)C4=O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOOBZTFFJGMTCR-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCNCC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOFQSGYTSSUYDZ-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCC(N3CCNCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKODSCPRYMAXPY-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCN(CC(=O)NCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYAVALFZAUHAMN-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCC(N3CCN(C(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLQXJOQUTRXAJD-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCN(CC(=O)NCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYJVKQWMFAWEA-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCN(CC(=O)NCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTTFKCVPGPPVQB-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCN(C(=O)CCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPWASJPVHGPZEW-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCN(C(=O)CCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGXQMCYUUXRFR-UHFFFAOYSA-M", "SMILES:O=C(NNC(=S)[S-])c1ccccc1O.[K+]"]}
{"name": "Neural cell adhesion molecule L1", "xref": ["CHEMBL.TARGET:CHEMBL5169129"], "id": "UniProtKB:P32004", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWENGIVYZOIJBC-YXKWSERDSA-N", "SMILES:C[C@H]1CCN(c2ncnc3[nH]ncc23)C[C@@H]1NC(=O)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXJMJTJCAPKAMR-OKZBNKHCSA-N", "SMILES:O=C(N[C@H]1CN(c2ncnc3[nH]ncc23)CC[C@@H]1C(F)(F)F)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDZQGIMHUMFCLI-UHFFFAOYSA-N", "SMILES:O=C(CNc1cc(Cl)ccc1F)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXMXLKDIBLSPB-UHFFFAOYSA-N", "SMILES:O=C(CNc1cc(Cl)cc(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOPGKAAZRJTLHA-UHFFFAOYSA-N", "SMILES:O=C(CNc1cc(Cl)cc(C(F)(F)F)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXMXLKDIBLSPB-CQSZACIVSA-N", "SMILES:O=C(CNc1cc(Cl)cc(Cl)c1)N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTGSPWFNBNZLCR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNXRLBCUOZCBH-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2cccc(C3CCCN(c4ncnc5[nH]ccc45)C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOZWASMHVDPHC-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2cccc(C3CCCN(c4ncnc5[nH]ccc45)C3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJVALJRNIUGCB-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccccc1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYSCTMTXSWARQ-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccccc1C(F)(F)F)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTYERGYQXEEST-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc(C(F)(F)F)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDEAIGDMZCAOHL-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(C(F)(F)F)cc1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXZTIMJYXBMOI-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NCC(=O)NC2CCCN(c3ncnc4[nH]ccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYDKNDIAQJYPB-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NCC(=O)NC2CCCN(c3ncnc4[nH]ccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJUBZIKABFQKS-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc(S(=O)(=O)C(F)(F)F)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBFCWDOGHBBDM-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc(OC(F)(F)F)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLULUQCLLVSNT-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc(F)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSNKQVUYDXOGY-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHEHNJAWYZYXOW-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc(Cl)c1F)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKQSAVTFCYGDP-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(F)c(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMPBBSODIOVBN-UHFFFAOYSA-N", "SMILES:O=C(CNc1cc(F)cc(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAHKVPYOYRTYDM-IEBWSBKVSA-N", "SMILES:CN(C(=O)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1)[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEHTPBLCIHVIB-CYBMUJFWSA-N", "SMILES:O=C(CNc1cc(Cl)cc(Cl)c1)N[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNTRFANEWJADFS-CYBMUJFWSA-N", "SMILES:O=C1Cc2c(ncnc2N2CCC[C@@H](NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFHCFGUYUVQAI-CYBMUJFWSA-N", "SMILES:Nc1cc(N2CCC[C@@H](NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZCWMXUFVZVPIN-CYBMUJFWSA-N", "SMILES:Nc1nccc(N2CCC[C@@H](NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQFWBYQYLFWQW-GFCCVEGCSA-N", "SMILES:Nc1ncnc(N2CCC[C@@H](NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXAOWRFSTMLZBO-CRAIPNDOSA-N", "SMILES:O=C(N[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1)[C@H](Nc1cc(Cl)cc(Cl)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEINNJXILOGEE-IUODEOHRSA-N", "SMILES:C[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHIAXWFZMXILHF-CRAIPNDOSA-N", "SMILES:CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWQIOVCXHLEAP-VQIMIIECSA-N", "SMILES:O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1cc(Cl)cc(Cl)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHIYEPCHUEILV-VQIMIIECSA-N", "SMILES:CC(C)[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYZCYYOKEZYPOM-QAPCUYQASA-N", "SMILES:CC(C)(O)[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXAKVJOQTXLHGI-VQIMIIECSA-N", "SMILES:O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1cc(Cl)cc(Cl)c1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUHUFVVODTZOQ-CRAIPNDOSA-N", "SMILES:O=C(N[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCAHMDAWGVHSL-CRAIPNDOSA-N", "SMILES:O=C(N[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1)[C@H](Nc1cc(Cl)cc(C(F)(F)F)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETOLISJTPMUFM-VQIMIIECSA-N", "SMILES:O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNVEELQPXGAPX-VQIMIIECSA-N", "SMILES:O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1cc(Cl)cc(C(F)(F)F)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJVHUROLCQSIID-QTJFZDIUSA-N", "SMILES:O=C([C@H](Nc1cc(F)cc(Cl)c1)C1CC1)N1CC[C@@H]2CCN(c3ncnc4[nH]ncc34)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COXQUJPRGLQAKZ-PYUWXLGESA-N", "SMILES:O=C1C(Nc2cc(F)cc(Cl)c2)CCCN1[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COXQUJPRGLQAKZ-SJLPKXTDSA-N", "SMILES:O=C1[C@H](Nc2cc(F)cc(Cl)c2)CCCN1[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFFFDBXSPYQKHU-SJLPKXTDSA-N", "SMILES:O=C1[C@H](Nc2cc(Cl)cc(Cl)c2)CCCN1[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMOUAJPAHZYKMS-CXAGYDPISA-N", "SMILES:O=C1[C@H](Nc2cc(F)c(F)c(Cl)c2)CCCN1[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLVOLTIXBKSOMQ-CXAGYDPISA-N", "SMILES:O=C1[C@H](Nc2cc(Cl)c(F)c(Cl)c2)CCCN1[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVBRVYHGBQUXHR-IEBWSBKVSA-N", "SMILES:O=C1[C@H](Nc2cc(F)cc(Cl)c2)CCCN1[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRUNZDYVOMDUSG-ZGCQUILYSA-N", "SMILES:N#Cc1cccc(/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLYYTWOMORTAI-YUWJMLATSA-N", "SMILES:N#Cc1ccccc1/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNXADBAIQDIPQK-ZGXZGNMSSA-N", "SMILES:N#Cc1ccc(/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEMKBIDVNKYNQW-QMBVYZDCSA-N", "SMILES:NC(=O)c1cccc(CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQPKGCCERACSLG-KSHOWADASA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2csc3ccccc23)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWRJNKBJQKWSY-KSHOWADASA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2cc3ccccc3s2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBGJFKCZPZPEX-ZFHKKGHBSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCc2cccc3ccccc23)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKXXBQGUAYYTQE-XCPBYIKRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2cccc3ccccc23)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRCIXKGOGZDLY-GMDRLUGNSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc3cnccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISQGTLCZLBIAR-XCPBYIKRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc3ccccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJLDHXMZGSRNQI-UESMQBDISA-N", "SMILES:NC(=O)c1cccc(/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWKJDXNZBBQNIK-YLRUEWHGSA-N", "SMILES:NC(=O)c1ccc(/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKJLIHVFKBEDJP-LJVFUBDHSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C/C=C/c2ccccc2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZYCFSXWTOHUTK-HHSBQVITSA-N", "SMILES:Cc1ccccc1/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBJJPLMZGZTJT-YUWJMLATSA-N", "SMILES:Cc1cccc(/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXBXSHXYNZSPSI-BOIOWYNFSA-N", "SMILES:Cc1ccc(/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHXQVBQMTOWEID-FUFFUZGLSA-N", "SMILES:COc1ccccc1/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACMHQJWWFYUSFD-LLFKUDEWSA-N", "SMILES:COc1cccc(/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOCGSYGSDRJFA-BOIOWYNFSA-N", "SMILES:COc1ccc(/C=C/CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFNSTODFKCZOGQ-VGEUQUDGSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C/C=C/c2ccccc2F)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOJPLBBVLLYCGI-YIWRBZKQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C/C=C/c2cccc(F)c2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFBYDOMKLGSPH-SUIOFXLQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C/C=C/c2ccc(F)cc2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRKZRYRSJFBUIK-VGEUQUDGSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C/C=C/c2ccccc2Cl)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNAYAKXYBJMIQM-YIWRBZKQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C/C=C/c2cccc(Cl)c2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHPBRZDEVDMOD-SUIOFXLQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C/C=C/c2ccc(Cl)cc2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUEAMDIZXVHJHE-VGEUQUDGSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C/C=C/c2ccccc2Br)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTUYFLCLIQJFJ-YIWRBZKQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C/C=C/c2cccc(Br)c2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYACIUPFNMXCKW-SUIOFXLQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C/C=C/c2ccc(Br)cc2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKRSQXOYWWCWLU-XVZIYINBSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC=Cc2ccc([N+](=O)[O-])cc2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGPPOUPJDHVVPD-UQEZQTQMSA-N", "SMILES:N#Cc1ccc(CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEJNYOPRYLVGMR-GMDRLUGNSA-N", "SMILES:N#Cc1ccc(CCCN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCAVLPZYBHFZTH-GMDRLUGNSA-N", "SMILES:N#Cc1cccc(C#CCN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDCPNWAHHGDUGL-GMDRLUGNSA-N", "SMILES:N#Cc1ccc(C#CCN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSETVFOQAVXGIV-NMNPZVDOSA-N", "SMILES:NC(=O)c1cccc(CCCN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEJWBPUEVSLOS-UCNCLGDOSA-N", "SMILES:N#Cc1ccc(/C=C/CN(CCC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXPZIEJEOMCNMA-CFWPDUDRSA-N", "SMILES:N#Cc1ccc(/C=C/CN(CC[C@H](N)C(N)=O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONZNMGPYDMERS-ACOLSOJQSA-N", "SMILES:N#Cc1ccc(/C=C/CN(CCCN)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFMWHMZZWKEJB-FEIMRTCESA-N", "SMILES:N#Cc1ccc(/C=C/CNC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLAUTIPAOSIACQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(NC(=O)C2=C(C)NC(Nc3nc4ccccc4o3)=NC2c2ccccc2Cl)c1"]}
{"name": "Galactokinase", "xref": ["CHEMBL.TARGET:CHEMBL5169202"], "id": "UniProtKB:Q9R0N0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHVOENYWQLMIOM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccc(-c4ccccc4)c3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHXIUMFQBBESDS-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2nc(Oc3ccc(-c4ccccc4)cc3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUPAQJNOSUNBA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)c1ccccc1Sc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRSGRURBNYCMBJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)c1ccccc1Oc1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLTWPRUQABYKNH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccs1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBAJRZDDUFBRKF-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJRORXVTZHFWNQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Sc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STAKSFJZXAFALR-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(Sc2ccc([N+](=O)[O-])cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOMBAJCFYTNKK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2sc(NC(=O)c3ccccc3Sc3ccc(C(F)(F)F)cc3)nc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCRGBCOERUHZLY-ZROIWOOFSA-N", "SMILES:N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)s1)c1nc2cc(Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1458891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQKQSJCEVWZCU-ZSOIEALJSA-N", "SMILES:Cc1ccc(C2=NC(=O)/C(=C/c3cc(O)c(O)c(Br)c3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506247", "category": ["biolink:ChemicalEntity"], "name": "TANNIC ACID", "xref": ["InChIKey:LRBQNJMCXXYXIU-PPKXGCFTSA-N", "SMILES:O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1"], "synonym": ["Tannic acid", "E181", "Tannic acid", "Tannic acid", "Tannic acid", "Asian holly oak nutgall", "Gallotannic acid", "Gallotannin", "Tannic acid", "Tannic acid, unspecified", "Tannicum acidum", "FEMA NO. 3042", "NSC-656273", "NSC-758670", "Tannic acid component of depinar", "Tannic acid component of oc-108"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL4550503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMFMCDJLBJWACL-UHFFFAOYSA-N", "SMILES:CCc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJYUUHMNCHCQM-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1nc(SC(=O)CCCC)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJVMTQCCFOORA-UHFFFAOYSA-N", "SMILES:CCCCC1C(C(=O)OCC)C(c2ccccc2)CCN1C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRBLDIIVXBCDGF-UHFFFAOYSA-N", "SMILES:CCCCC1C(C(=O)N(C)OC)C(c2ccccc2)CCN1C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZPYAXVNDHJAAK-JZTLMNBPSA-N", "SMILES:O=C1/C(=C\\c2ccc([N+](=O)[O-])cc2)CN(CC(=O)c2ccc(F)cc2)C/C1=C/c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBBMSRBLRWKFA-VMTNTFKOSA-N", "SMILES:COc1ccc(C(=O)CN2C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)/C(=C\\c3ccc([N+](=O)[O-])cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379110", "category": ["biolink:ChemicalEntity"], "name": "PANDURATIN A", "xref": ["InChIKey:LYDZCXVWCFJAKQ-ZFGGDYGUSA-N", "SMILES:COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4458555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCLPPOXJQRYKX-AIVCMVMSSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJQYBCUFGZTQSR-IAGONARPSA-N", "SMILES:N=C(N)N/N=C/c1ccc(/C=N/NC(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUFAKLCPMNIBZ-QESAQDPVSA-N", "SMILES:C[C@H](NCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGVIHXNMJUQJB-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2ccccc2)c2ccccn2)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL308048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLYSIXRHPOKIQ-VMPITWQZSA-N", "SMILES:N#C/C(=C\\c1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDCSGURJIPTEA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3ccccc23)c([N+](=O)[O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1187898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVKTLIEOIDYQI-UHFFFAOYSA-N", "SMILES:CCN1/C(=C/C=C/c2oc3ccc4ccccc4c3[n+]2CC)Oc2ccc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOKBMBIEYGOKE-UFYCRDLUSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVEAIJTXNTWBCP-PXQJOHHUSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1487183", "category": ["biolink:ChemicalEntity"], "name": "ALEXIDINE HYDROCHLORIDE", "xref": ["InChIKey:JEPAQYCCAYFOBU-UHFFFAOYSA-N", "SMILES:CCCCC(CC)CN=C(N)N=C(N)NCCCCCCNC(N)=NC(N)=NCC(CC)CCCC.Cl"], "synonym": ["Alexidine dihydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908325", "category": ["biolink:ChemicalEntity"], "name": "SELAMECTIN", "xref": ["InChIKey:AFJYYKSVHJGXSN-XHKIUTQPSA-N", "SMILES:CO[C@H]1C[C@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\\C=C\\[C@@H]2C)[C@]43O)O[C@@H](C)[C@@H]1O"], "synonym": ["Selamectin", "Selamectin", "Selamectine", "Selamectina", "Revolution", "UK-124,114", "UK-124114", "Chanhold", "Evicto", "Selamectin component of stronghold", "Selamectin component of stronghold plus", "Stronghold", "Selamectin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1980535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYRDHEJRPVSJFM-VSWVFQEASA-N", "SMILES:CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)[C@](C)(O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL586053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLUMGCEKCTYNV-UHFFFAOYSA-N", "SMILES:COC(=O)c1[nH]c2ccc(Cl)cc2c1C(=O)c1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVKWXPBUMQZFCW-UHFFFAOYSA-L", "SMILES:O.O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACZKMKGNTMOPBD-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(S(=O)(=O)O)cc1Cc1cc(S(=O)(=O)O)c(O)c(Cc2cc(S(=O)(=O)O)c(O)cc2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQXHOGHHIMAOC-RBUKOAKNSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc([Si](C)(C)CCCC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXDNFWWIQWANPZ-LEWJYISDSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc([Si](C)(C)CCCCCC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUHLRFIHZNYKG-HZPDHXFCSA-N", "SMILES:CC[Si](C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBYGIAIRAKLQEV-QZTJIDSGSA-N", "SMILES:CCCC[Si](C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBSHKVNYSLCFBI-WOJBJXKFSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OELTXQMOASFHAO-UHFFFAOYSA-N", "SMILES:CCCC[Si](C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVUPNIJJKZOKIO-UHFFFAOYSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYIFJZOXQWHIQ-QZTJIDSGSA-N", "SMILES:CCCC[Si](C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXFHTGCTQJDRTF-WOJBJXKFSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQQLOULHKYQJV-UHFFFAOYSA-N", "SMILES:CCCC[Si](C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(CO)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZODIZVZXTYVST-UHFFFAOYSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(CO)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMOGEWRHMQUTPA-ZCNNSNEGSA-N", "SMILES:CCCC[Si](C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWDCFKORUHOXRS-BDTNDASRSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRJCQXRCFOADAJ-ZCNNSNEGSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVKOKUHUNGCPJK-UHFFFAOYSA-N", "SMILES:CCCC[Si](C)(C)c1cc(O)c(C2CCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPULEGGSRCNANN-UHFFFAOYSA-N", "SMILES:CCCC[Si](C)(C)c1cc(O)c(C2CCCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YERIEBFGKZEVPD-UHFFFAOYSA-N", "SMILES:CCCC[Si](C)(C)c1cc(O)c(C2CCCCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUOLDJDFLFOZNY-UHFFFAOYSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c(C2CCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNHXVCKBHICDJS-UHFFFAOYSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c(C2CCCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNYMIQLQIMJRR-UHFFFAOYSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c(C2CCCCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKVNYGJWBHBRPZ-UHFFFAOYSA-N", "SMILES:CCCC[Si](C)(C)c1cc(O)c(C2CCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVQUUCKBACSNX-UHFFFAOYSA-N", "SMILES:CCCC[Si](C)(C)c1cc(O)c(C2CCCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFNMENLPUKQPC-UHFFFAOYSA-N", "SMILES:CCCC[Si](C)(C)c1cc(O)c(C2CCCCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQGHNYFHVMUGZ-UHFFFAOYSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c(C2CCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJYJICCZUPCRO-UHFFFAOYSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c(C2CCCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFQZWMZRIKAOK-UHFFFAOYSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c(C2CCCCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQTJXOXWFRJRQG-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCXNSBBWIPADM-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3[nH]cc(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYLVHWYOATZTN-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)c3ncsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOINOWNEDMPILQ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)c3nc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXOJRVRCVBDSPF-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)c3nn[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTMEBMTKUWPCV-UHFFFAOYSA-N", "SMILES:CNC1(C)CCN(c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNMMWRRXIHTGP-UHFFFAOYSA-N", "SMILES:CN(C)C1(C)CCN(c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFFHCLCKLEIMT-UHFFFAOYSA-N", "SMILES:NC1(C(F)(F)F)CCN(c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVGFIKPJGMFUBA-UHFFFAOYSA-N", "SMILES:CC1(CN)CCN(c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSIQJCVMJNUAPN-CYBMUJFWSA-N", "SMILES:N[C@@H]1CCCC12CCN(c1nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSIQJCVMJNUAPN-ZDUSSCGKSA-N", "SMILES:N[C@H]1CCCC12CCN(c1nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAYIDYABNRBZIY-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3[nH]nc(Br)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBCOXOBOMNUAAO-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3[nH]nc(-c4ccccc4)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPJPHANUWPWPW-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3[nH]nc(-c4ccccc4Cl)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUNGUHBTUFJLAZ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3[nH]nc(-c4cccc(Cl)c4)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIHUNSFBVYLIJD-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3[nH]nc(-c4ccccc4C(F)(F)F)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIVXAADKAZOCSE-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3[nH]nc(-c4ccncc4Cl)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXHDIDAJRLHBX-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3[nH]nc(-c4ccnc(Cl)c4Cl)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRHLJAXSOUSCJ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3[nH]nc(-c4cccnc4C(F)(F)F)c3c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMADCPJVPLUGQO-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLKDUTBYZJONNW-UHFFFAOYSA-N", "SMILES:CNc1nccc(-c2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKZKUGUQZMUCJC-CQSZACIVSA-N", "SMILES:N[C@@H]1CCCC12CCN(c1cnc3c(-c4cccc(Cl)c4Cl)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKKESBUGBWVRF-CYBMUJFWSA-N", "SMILES:N[C@@H]1COCC12CCN(c1cnc3c(-c4cccc(Cl)c4Cl)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNONCNSCKGVMAR-BBATYDOGSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3cnc4c(-c5cccc(Cl)c5Cl)n[nH]c4n3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNUSABOZHDKQTJ-KPZWWZAWSA-N", "SMILES:CCNc1nccc(-c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHXPUBAPLIIDL-BBATYDOGSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3nc4[nH]nc(-c5cccc(Cl)c5Cl)c4nc3CO)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJXABHATSMIPN-ORAYPTAESA-N", "SMILES:CCCNc1nccc(-c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)c(CO)nc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGAOJDKDTHZJNB-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCC(C)(N)CC2)cc(=O)n1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYUIJDCKOPRFJO-HXPMCKFVSA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)cc(=O)n1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBJGNWDHYZZEL-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cc(=O)n(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXEIHIYWFMBXKX-ORAYPTAESA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)cc(=O)n1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVRFNJXJIDOTRL-ORAYPTAESA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)cc(=O)n1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJOYLLGLLBWSP-ORAYPTAESA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)cc(=O)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHKHKMXWPFOHFR-APPDUMDISA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c(Cl)c(=O)n1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMNOPIDKXIGZRL-KPZWWZAWSA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c(CO)c(=O)n1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVIYIHKXWCQBNH-KPZWWZAWSA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c(C#N)c(=O)n1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDCZOUNJAXKTRB-APPDUMDISA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c(C(N)=O)c(=O)n1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXRXVJQHMVRDX-APPDUMDISA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c(C(F)(F)F)c(=O)n1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVDJPUVLCKJATA-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPPLCUYUCVJBTH-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c(C3CCC(NC(C)=O)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMZZSJLZWCJEU-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c(C3CCNCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZHSZLCNRSFFOM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCCC2)ccc1-c1ccnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYHSDKCDJZHNOM-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDSZDRUCZASOJD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)nc23)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3663760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVYPGDWOQOPMK-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c(C3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBWQPLLCGUWXEE-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCCC2)ccc1-c1ccnc2[nH]c(C3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLYHKPNATCXTDU-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N5CCCCC5)CC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUUCUGRZFSMNOH-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N(C)C)CC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNWQPICFCPORII-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N5CCCC5)CC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKPECRVCCCIST-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CN1CCC(c2cc3c(-c4ccc(=O)n(C)c4)ccnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFARWUGWOGTLO-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3ccnc4[nH]c(C5CCN(CC(=O)N(C)C)CC5)cc34)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZYXKHYMQBGPC-KOMQPUFPSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c([C@H]3CC[C@H](NC(C)=O)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJOXYSKOPZNFZ-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c(C3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMEHQENZWKFMDN-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCCC2)ccc1-c1ccnc2[nH]c(C3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAZOWNKGXUELJ-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c(C3CCN(C(C)=O)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEWWUOIYXXDOPI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCCC2)ccc1-c1ccnc2[nH]c(C3CCN(C(C)=O)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3663770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYGCBFRVFDUTBD-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c(C3CCN(C)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOXVBNJFVJAKI-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c(C3CCN(CCO)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZIQIRCTEKPOEZ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCCC2)ccc1-c1ccnc2[nH]c(C3CCN(CCO)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHMXORQKQKBZRE-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)C)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBQNFXHVWPICG-UHFFFAOYSA-N", "SMILES:COc1cc(=O)n(C)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)C)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLPVEOYWBLMNA-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N(C)C)CC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMDZMWWESGNOQH-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N(C)C)CC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRDRCYJXTWAPJ-UHFFFAOYSA-N", "SMILES:COCCn1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N(C)C)CC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJPTLHLUCIQRE-UHFFFAOYSA-N", "SMILES:CSCCn1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N(C)C)CC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHLSLEPMSDUFCE-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CN1CCC(c2cc3c(-c4ccc(=O)n(C5CCOCC5)c4)ccnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMAIFDSGMXPVOC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CN1CCC(c2cc3c(-c4ccc(=O)n(CC5CCOCC5)c4)ccnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZCQCWDUCWGPI-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CN1CCC(c2cc3c(-c4ccc(=O)n(CCC5CCOCC5)c4)ccnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLAUSUYIWERBZ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CN1CCC(c2cc3c(-c4ccc(=O)n(C5CCC5)c4)ccnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFGMQQCDSOIRGH-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2ccnc3[nH]c(C4CCN(CC(=O)N(C)C)CC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEAHEWUERAEEM-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccnc3[nH]c(C4CCN(CC(=O)N(C)C)CC4)cc23)cnc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZXWMFLENSULBI-UHFFFAOYSA-N", "SMILES:CNC(=O)CN1CCC(c2cc3c(-c4ccc(=O)n(C(C)C)c4)ccnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDJMWQPLSCHDKJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccnc3[nH]c(C4CCN(Cc5cccs5)CC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGIRJZRHAGBLY-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccnc3[nH]c(C4CCN(CC(F)F)CC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUYYBCIBSAKEX-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(-c4ccc(=O)n(C(C)C)c4)ccnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWRPEBKULCXVPH-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccnc3[nH]c(C4CCNCC4)cc23)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWGDXGIKDSEBGF-JDGBCZCZSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)O)ccc1OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUAUWPVMCPSATJ-JDGBCZCZSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMXZNOBQSXIKAD-DKIMLUQUSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVKLKFCNSQFCX-MQGJPIDWSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)c(OC)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCPDUVZKKMYAI-ZMVGRULKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRBABAIJRXKHS-IMNFJDCFSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOKIFQCAPGRNU-PFCIVCCVSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXHMLZUEZVWXML-ZFIFVKQDSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJKVNYGEWQGHG-PVUOONDNSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYUUBOSZSVARW-CHXHCODASA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62381", "category": ["biolink:ChemicalEntity"], "name": "SODIUM BUTYRATE", "xref": ["InChIKey:MFBOGIVSZKQAPD-UHFFFAOYSA-M", "SMILES:CCCC(=O)[O-].[Na+]"], "synonym": ["Butyric acid sodium salt", "Butyric acid, sodium salt", "Sodium butyrate", "NSC-174280"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5202398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABNUOZCNOIJSCV-FMIVXFBMSA-N", "SMILES:COc1ccc(C/C(=C\\NO)C(=O)NCCSC(C)=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEYLEUCEPGDMG-ORSGUKHISA-N", "SMILES:CC[C@]1(C)NC(=O)[C@H](CCCCCC(=O)[C@@H](C)O)NC(=O)[C@H]2CC(C)CN2C(=O)[C@H](Cc2ccccc2)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL474318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOLDMJAFJDQSE-RYFAJOAYSA-N", "SMILES:C[C@@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL472574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQURZRWZWZDDKH-XLSSLVJHSA-N", "SMILES:CC[C@]1(C)NC(=O)[C@H](CCCCCC(=O)[C@@H](C)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL451873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDHPWFSAGIUMHT-HMZHQOCUSA-N", "SMILES:C[C@@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTOPZCOUZQXWSK-RLQIRPRCSA-N", "SMILES:C[C@@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](n2ccc3ccccc32)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZGFFROESMZMH-OHKQVTTLSA-N", "SMILES:CC[C@]1(C)NC(=O)[C@H](CCCCCC(=O)[C@@H](C)O)NC(=O)[C@H]2CC(C)(C)CN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOLDMJAFJDQSE-JKLQHZFJSA-N", "SMILES:C[C@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL489280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQRGLKUISWQUNH-VPSDZCSPSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H](CCCCCC(=O)[C@H](C)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOGWSZZDRMXBO-NKIORRDJSA-N", "SMILES:C[C@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(C2CCCCC2)(C2CCCCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFXAXJBSTZPSF-LPXUDWAYSA-N", "SMILES:Cc1c[nH]c([C@@H]2NC(=O)[C@H](CCCCCC(=O)[C@H](C)O)NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANCIXSROFZVFM-KPKJPENVSA-N", "SMILES:CC(C)CCc1c(OCCOc2cccc(/C=C/C(=O)NO)c2)ccc2c1OC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCEGWSHXYKRAFC-MDWZMJQESA-N", "SMILES:CC(C)CCc1c(OCCCOc2cccc(/C=C/C(=O)NO)c2)ccc2c1OC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYUMPFUIXGFMAH-AWNIVKPZSA-N", "SMILES:CC(C)CCc1c(OCCOc2ccc(/C=C/C(=O)NO)cc2)ccc2c1OC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLZZHYUUVQYDU-PHEQNACWSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccc(C(=O)/C=C/c2ccc(/C=C/C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTAXUVNUGCXGDB-LICLKQGHSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(CN4C(=O)c5ccccc5C4=O)cc3)cc2)cc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXUALMCVABIFZ-GOSISDBHSA-N", "SMILES:CCc1cccc(CC)c1-n1c(-c2ccn(C)n2)nc(=O)c(C(=O)N2CC[C@@H](c3ncc(Cl)cc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFQKSCSHSGAGO-SFHVURJKSA-N", "SMILES:COc1cccc(OC)c1-n1c(COC2CC2)nc(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLFHTIKIYLZDM-IBGZPJMESA-N", "SMILES:COc1cccc(OC)c1-n1c(COC2CCC2)nc(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZPPQVNWQRGIE-SFHVURJKSA-N", "SMILES:COc1cccc(OC)c1-n1c(CCCC(F)(F)F)nc(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSGXJSIXZLMEI-FQEVSTJZSA-N", "SMILES:COc1cccc(OC)c1-n1c(C2CCCC2)nc(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXCTAQPHSQHRI-INIZCTEOSA-N", "SMILES:CCOCc1nc(=O)c(C(=O)N2CC[C@H](c3ccccc3F)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQZEEMZOHTLDE-UHFFFAOYSA-N", "SMILES:CCOCc1nc(=O)c(C(=O)N2CCC(c3ccc(F)cc3F)C2)c(O)n1-c1c(OC)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGFVYRLURYNSF-SFHVURJKSA-N", "SMILES:COc1cccc(OC)c1-n1c(-c2ccc(F)cc2)nc(=O)c(C(=O)N2CC[C@H](c3ccccc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTNQHLWFAFMMF-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-n1c(-c2ccc(C)nc2)nc(=O)c(C(=O)N2CCC(c3ccc(F)cc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBYSDWJHIHUOV-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-n1c(-c2ccc(C)cn2)nc(=O)c(C(=O)N2CCC(c3ccc(F)cc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUKHSBMSXSWOPH-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-n1c(-c2csc(C)n2)nc(=O)c(C(=O)N2CCC(c3ccc(F)cc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOSLQCIEROPBOY-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-n1c(-c2cnn(C)c2)nc(=O)c(C(=O)N2CCC(c3ccc(F)cc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVCBVRPPZOQBQ-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-n1c(-c2ccn(C)n2)nc(=O)c(C(=O)N2CCC(c3ccc(F)cc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIBSPHIVDWNSTQ-INIZCTEOSA-N", "SMILES:COc1cccc(OC)c1-n1c(-c2ccn(C)n2)nc(=O)c(C(=O)N2CC[C@H](c3ccccc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVLFASAPIUBMI-FQEVSTJZSA-N", "SMILES:CCc1cccc(CC)c1-n1c(-c2ccn(C)n2)nc(=O)c(C(=O)N2CC[C@H](c3ccccc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYSCZIGHCEIEX-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(-c2ccn(C)n2)nc(=O)c(C(=O)N2CCC(c3c(F)cccc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFZBDWZHOVVKE-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1-n1c(-c2ccn(C)n2)nc(=O)c(C(=O)N2CCC(c3ncccc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJBOAPUPRQLMW-GOSISDBHSA-N", "SMILES:CCc1cccc(CC)c1-n1c(-c2ccn(C)n2)nc(=O)c(C(=O)N2CC[C@@H](c3ncc(F)cc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVRLKIMFQKGHF-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1cccc(NC(=O)CCCCCCC(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCOYLRLGWKAPNS-ZGTCLIOFSA-N", "SMILES:C#CC(C)N(C)[C@H](C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCGBOWDFUSOLSM-TVBZACQLSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGYJNMISLXVOC-DOUCWQNDSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJOWEWYFBXWZDQ-VEVSLNEMSA-N", "SMILES:CCOC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKJNQPAXADRCRT-VEVSLNEMSA-N", "SMILES:CCNC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJCHSLVJQBHCF-JOBLOWERSA-N", "SMILES:CCCS(=O)(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CABMIWJXGLNJDA-BZRPJOEJSA-N", "SMILES:CCNS(=O)(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKCLHBPLVDIOB-VCXUAKCGSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDZHODCNPLGQA-KRZVFRPQSA-N", "SMILES:CCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLHUKGBXCMXMBB-BPAPBCFSSA-N", "SMILES:CCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZXXBCANQMIJH-JAZUPRQQSA-N", "SMILES:CC(C)C(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJSWYYLOAXWJN-JAZUPRQQSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFHZTARGDASGGV-XTFSICLTSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C6CCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFKNYMVUPHIFC-RUHLEZEJSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C6CCCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQOFVJHLXILNC-IIWHFUOISA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOAZVEFXFKOCEE-IIWHFUOISA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)c6ccc(F)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZRSGZHBCZSOL-ZFWQMRESSA-N", "SMILES:COc1ccc(C(=O)O[C@@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@H](C(C)C)CC[C@]6(C(=O)NCC(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKCLHBPLVDIOB-WYNSFBPCSA-N", "SMILES:CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQHICDEGOTCEU-FTFAESRQSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)N[C@@H](C)C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPJPPRBRQOJQS-BPAPBCFSSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYHBJPTKYGXJI-VCXUAKCGSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)OCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBHLFYKSYTBTG-VCXUAKCGSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(NC(=O)OCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APIHQWPMELKMEY-VCXUAKCGSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(NC(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYEREZCHUUNXJH-BPAPBCFSSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)NCC(=O)NS(C)(=O)=O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROEUBNPUSDHXHN-KRZVFRPQSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)=O)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRXAAXKTOGRFX-AYUIUTMKSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H]([C@@H](C)CO)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARACQNQCSMTAJ-NTJBJDAQSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H]([C@@H](C)C(=O)O)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIHRNMHGTWXOCV-CZOVCNAUSA-N", "SMILES:CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(=O)CO)CC[C@]5(C(=O)NCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"name": "Multidrug resistance protein HmrM", "xref": ["CHEMBL.TARGET:CHEMBL5169226"], "id": "UniProtKB:P45272", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:71421"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2261341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPTUBGNXOOYLY-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCSCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORPQDUWRNXLKT-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCSCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLPGTLDAKXDNNX-UHFFFAOYSA-N", "SMILES:CS/C(=N\\C#N)NCCSCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQXJWALOWPPOB-UHFFFAOYSA-N", "SMILES:NCCSCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBAWWLWUWIBFH-UHFFFAOYSA-N", "SMILES:N=C(N)NCCSCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZAMVBDOCNPET-UHFFFAOYSA-N", "SMILES:Fc1cccc(CSCCNc2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATCNFJVWIOKTC-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCOCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJPVFFVHVLSJY-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVUVOMFOXKFMRL-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMAMRWWZIGVVSZ-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCCCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJGWHQDEHLQXNO-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCCCCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPAMPNPGIMMESH-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCSCCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDKYUZFHGRHIL-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCSCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGZPXSYLNKZHSO-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCSCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZIDMOMJLUOPK-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCSCc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBKGEWSSWNMDNB-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCSCc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCKMXKMMEDJSGC-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCSCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTRLGXLECDBPKN-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCSCc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKTXDJNCXWZRSX-UHFFFAOYSA-N", "SMILES:CN/C(=N\\C#N)NCCSCc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNGRAPYYTJTLKV-UHFFFAOYSA-N", "SMILES:Cc1[nH]cnc1CSCCNc1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLMVLKWZYEKFP-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NS(C)(=O)=O)cccc2n1-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWMZZGMISUOPQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFIPMVYSOXKTBG-XVNBXDOJSA-N", "SMILES:C/C=C/C(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYNZTBHYRXPMV-WUKNDPDISA-N", "SMILES:Cc1cc2c(NC(=O)/C=C/c3ccccc3)cccc2n1-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVGNTOSAZOOIY-SAPNQHFASA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2cccc3c2cc(C)n3-c2nc3c(c(NCc4cccc(O)c4)n2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILMXGBUULNYQP-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)c3ccco3)cccc2n1-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCTYZZIZOGLKHF-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)c3cccs3)cccc2n1-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTJSZYOYIBCII-UHFFFAOYSA-N", "SMILES:Cc1cc2c(NC(=O)c3cscn3)cccc2n1-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASKCMXFGYPXBCJ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=N)NO)cccc2n1-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEPPYQDBDPXEV-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPQZMYTEYYVDE-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=N)N)cccc2n1-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWRCQDSGOIIKC-UHFFFAOYSA-N", "SMILES:CONC(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPSZXBWNMDIFMX-UHFFFAOYSA-N", "SMILES:CCONC(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHXFQYZWPYGTI-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJOGUDQJHLEQG-UHFFFAOYSA-N", "SMILES:CONC(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZUNRWZLOLLLCQ-UHFFFAOYSA-N", "SMILES:CCONC(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMYYLJYVUDQMH-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWGSVSXYQSXEOA-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3cccc(N)c3)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDHFSLWWYBVSLN-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCDFXVWDGHHCSI-UHFFFAOYSA-N", "SMILES:CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBIPPXGZZKZFBA-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGDQNJZBOQYYEC-UHFFFAOYSA-N", "SMILES:CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWIWPIZDMVODQN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGOCGLJLLJAOE-UHFFFAOYSA-N", "SMILES:CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQCUMLGXGWVKC-UHFFFAOYSA-N", "SMILES:CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFYLCZASISOAF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXWVQLEWURXBU-UHFFFAOYSA-N", "SMILES:CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRGNCTJAIGFXBV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)Nc1cc(Cl)nc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCNMIMGAFGWWRD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Oc2cc(NC(=O)Nc3cc(Cl)nc(Cl)c3)cc(Oc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCJGOKURIDWFC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)c1)Nc1cc(Cl)nc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOBCXVGUHFSAP-UHFFFAOYSA-N", "SMILES:CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLZBHJGZPHUQKG-UHFFFAOYSA-N", "SMILES:CCC(CC)CNC1CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXJMHYVIDULUSR-UHFFFAOYSA-N", "SMILES:CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZUZKTZDLVSAQ-UHFFFAOYSA-N", "SMILES:CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJOIUYDCUXRVIH-UHFFFAOYSA-N", "SMILES:CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LALKFDPWTHUMTO-UHFFFAOYSA-N", "SMILES:CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBVCRSMYSMJNQG-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBKNETMCLLPBDY-UHFFFAOYSA-N", "SMILES:CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC4CCCCC4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNJPAGNUZNVNX-UHFFFAOYSA-N", "SMILES:CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCN(C)CC4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDPRHARAOXFNY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc(Oc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTFDLAQWSLOTQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(CC4CCCCC4)CC3)cc(Oc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMNJDQGVCQCDL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDTHDKTURGXKJG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJJCSLFOCPJET-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)c4ccc5ccccc5c4)CC3)cc(Oc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKIRTBZHSZSQET-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC2CCOCC2)nc1Oc1ccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQWIJXYSCRSEOB-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4C(F)(F)F)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJIMFSJCDQTCK-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(Nc5cnn(C)c5)ncc4Cl)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHVYJLPWRAFAS-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cnn(C)c2)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZGBMYUPODVJB-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Sc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKPIGLQHWUMAAZ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Nc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJWIPBFDUHILD-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Sc4nc(NC5CCOCC5)ncc4C(F)(F)F)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYENRVJMVUOECY-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(N3CCC(NC(=O)Nc4ccc(Oc5nc(NC6CCOCC6)ncc5Cl)cc4)CC3)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPQSMJZNDZJHTO-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)c3ccc(NC(=O)c4ccnc(NC5CCOCC5)n4)cc3C(F)(F)F)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTOJTSFWPUGSPH-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4ccnc(NC5CCOCC5)n4)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQJVHXJALKHCII-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULMCGUZQRZFPLF-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSVRBMOJKPAIJX-NKYRPOHVSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEHPEMPIIGZAPY-DNSZXJMNSA-N", "SMILES:CC(C)c1ccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRMKDTDKEQJZDZ-DNSZXJMNSA-N", "SMILES:CC(C)(C)c1ccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEISKGISMSAOAX-PAXAQNQPSA-N", "SMILES:N#Cc1ccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPONHBIIXAVKPD-DACRQWOZSA-N", "SMILES:NC(=O)c1ccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXQAUQBUSRNHS-PAXAQNQPSA-N", "SMILES:COc1cccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHAAKPNCJJAATO-NKYRPOHVSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQMWXSNQCJESQ-NKYRPOHVSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFZLXYTXUUROTO-NKYRPOHVSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGSAKZOGCLVFS-NKYRPOHVSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFRLXNXMJLTBAD-MDIPFLTBSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHTCNHAIILQSSL-FUWISXPPSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCOKIQQQVGBQN-FUWISXPPSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDGDDVMMVDRIF-FUWISXPPSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWYCVIZROVDXGH-FUWISXPPSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOIMBUAYNDJPGJ-CPIJZORTSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKIPCRYYDMZJF-LVNUPDNPSA-N", "SMILES:CC(C)(C)c1ccc(O[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXIXAVMJHWVWHC-NKYRPOHVSA-N", "SMILES:COc1cccc(O[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENBOXOEVOUMJD-CPIJZORTSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRYRWFBJHQBFA-WHRBDNGYSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFEKBPHSPFQBDC-CPIJZORTSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBVKOURJLIITC-CPIJZORTSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMRRFAISKIFMJ-SLHDEKGNSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXGEBRJMNHODI-CVNFAVJWSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(C(C)(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTDGLSRULFVAFC-FUWISXPPSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVIKZWXKFIGZQJ-SLHDEKGNSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSMZHDDHVZCIH-IADDZVCRSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDVVGWMFXLSEQE-SLHDEKGNSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCCYMQVQIXGMM-SLHDEKGNSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYAYADHVKSFZEM-XMHGGMMESA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)cc3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLLYCZSQPJHZMW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn(Cc3ccc(C(=O)NO)cc3)c(=O)c(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPCBBHHBAYNBTO-UHFFFAOYSA-N", "SMILES:CCCn1cc(-c2cnc(N)nc2)nc(N2CCOCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSACYDKVAQRIQI-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn(CCCCCC(=O)NO)c(=O)c(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWWHZSNGMHNCV-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn(CCCCCCC(=O)NO)c(=O)c(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARNWAZWTNBJSJI-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn(CCCCCCCC(=O)NO)c(=O)c(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUYRHXGIDVEOCB-UHFFFAOYSA-N", "SMILES:CNc1ncc(-c2cn(Cc3ccc(C(=O)NO)cc3)c(=O)c(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJNWYPWEPZLANP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(-c3cccc(O)c3)nc(N3CCOCC3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBKPOXZZHXUGF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYOAJFOCKTNGJ-UHFFFAOYSA-N", "SMILES:CCCn1cc(-c2cnc(N)nc2)cc(N2CCOCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXQPFENVZRMURL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(-c3cccc(CO)c3)nc(N3CCOCC3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UANLCARJKRRJAU-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc(N3CCOCC3)c(=O)n(Cc3ccc(C(=O)NO)cc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETXOKKCFRDLEV-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc(N3CCOCC3)c(=O)n(Cc3ccc(C(=O)NO)cc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCZXHFNQOPJRW-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cn(Cc3ccc(C(=O)NO)cc3)c(=O)c(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJVRGQFSJUOWAP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cn(Cc3ccc(C(=O)NO)cc3)c(=O)c(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMAMKVSMBUGRMK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(-c3cccnc3)nc(N3CCOCC3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYLXTVJZZVPHP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(-c3cncnc3)nc(N3CCOCC3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWHQJYZVJIBPR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(-c3ccc(O)cc3)nc(N3CCOCC3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQNKAZAFPUMQB-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn(Cc3cccc(C(=O)NO)c3)c(=O)c(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHNHBRQXIDUQS-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(-c3ccc(CO)cc3)nc(N3CCOCC3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQDZIGKVDVXPRN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cn(Cc3ccc(C(=O)NO)cc3)c(=O)c(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQYUOVFSBDSKPL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(-c3cn[nH]c3)nc(N3CCOCC3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFAQEXBTNKGHA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(-c3ccoc3)nc(N3CCOCC3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEHRVVKNIWQOPL-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cn(Cc2ccc(C(=O)NO)cc2)c(=O)c(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEBRXUHRKHXRC-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn(Cc3ccc(C(=O)NO)cc3)c(=O)c(N3CCCCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDHMZBFTOAIGH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(-c3cnc(N)nc3)cn(Cc3ccc(C(=O)NO)cc3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCMJFHSWNXRNMK-UHFFFAOYSA-N", "SMILES:COC1CCN(c2nc(-c3cnc(N)nc3)cn(Cc3ccc(C(=O)NO)cc3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRUBHLGNOGYUOE-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn(Cc3ccc(C(=O)NO)cc3)c(=O)c(Nc3ccccc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVEVZABJQGHBJA-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2cc3ccc(Oc4cnc(-c5nc(-c6ccc(C(F)(F)F)cc6)no5)cn4)cc3n2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNLPEJABPNUDH-UHFFFAOYSA-N", "SMILES:CCCN1CCN(C(=O)c2cc3ccc(Oc4cnc(-c5nc(-c6ccc(C(F)(F)F)cc6)no5)cn4)cc3n2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLPNTZKDGSGIK-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(CCc3ccccc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZFGXXZKOOXSDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)c3cc4ccc(Oc5cnc(-c6nc(-c7ccc(C(F)(F)F)cc7)no6)cn5)cc4n3C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPHPLIDZLIBGH-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWZYGWEPRTZEA-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZKGDLHNPNNYSM-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLNKTPLLYNWLQT-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFADWXBTLHNRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(C(=O)c3cc4ccc(Oc5cnc(-c6nc(-c7ccc(C(F)(F)F)cc7)no6)cn5)cc4n3C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULTOBJVBGWBBJU-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COKWXQBCDDVOQX-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIIWUFACZDNNBA-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)c(F)c3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACZSZIAQWYCMQL-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(C(=O)c3cc4ccc(Oc5cnc(-c6nc(-c7ccc(C(F)(F)F)cc7)no6)cn5)cc4n3C)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVHCIACLHILORV-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc2[nH]1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTJDMFGKADKYJX-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COEBUTIWSGFPNW-UHFFFAOYSA-N", "SMILES:CCCn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWVQSYNCQPUXLL-UHFFFAOYSA-N", "SMILES:COCCn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFPFNBUYEOKMBV-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)n1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJYPCHOXLONBA-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccccc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAGASQKXXGRLMZ-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDQELXDNKHASW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cnc(Oc4ccc5cc(C(=O)N6CCN(Cc7ccc(OCC(F)(F)F)cc7)CC6)n(C)c5c4)cn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFHQLBLKJPTDO-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(Br)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOSSDUUSXHMXNP-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(Cl)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZLNHGRDBJUZFB-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(F)cc5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFGFREPWMHVLOR-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5cccc(F)c5)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGDOWJDFTZDLGB-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccccc5F)no4)cn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAZMJZXQCZEPG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2noc(-c3cnc(Oc4ccc5cc(C(=O)N6CCN(Cc7ccc(OCC(F)(F)F)cc7)CC6)n(C)c5c4)cn3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZYSEMZGTWWEDL-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1noc(-c2cnc(Oc3ccc4cc(C(=O)N5CCN(Cc6ccc(OCC(F)(F)F)cc6)CC5)n(C)c4c3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVPUTQITOHDIOV-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(Oc2cc3nc(NC(=O)C4CC4)sc3cc2F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTBBNONIGEIKH-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cc(Oc2cc3nc(NC(=O)C4CC4)sc3cc2F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYHVZKHDHBBGE-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cc(Oc2cc3nc(NC(=O)C4CCOC4)sc3cc2F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHEYLJSYWNFAEK-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)Nc2nc3cc(Oc4ccc(F)c(NC(=O)Cc5cccc(OC(F)(F)F)c5)c4)c(F)cc3s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTRNSRSBPFARD-UHFFFAOYSA-N", "SMILES:O=C1CCC(C(=O)Nc2nc3cc(Oc4ccc(F)c(NC(=O)Cc5cccc(OC(F)(F)F)c5)c4)c(F)cc3s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIZWHQGYHCRLLE-UHFFFAOYSA-N", "SMILES:O=C1CCC(C(=O)Nc2nc3cc(Oc4ccc(F)c(NC(=O)Cc5cccc(OC(F)(F)F)c5)c4)c(F)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJICRJBVQBLHH-UHFFFAOYSA-N", "SMILES:CC1(C)CC1C(=O)Nc1nc2cc(Oc3ccc(F)c(NC(=O)Cc4cccc(OC(F)(F)F)c4)c3)c(F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYKIXZZYWGJXLL-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cc(Oc2cc3nc(NC(=O)C4CC4F)sc3cc2F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSAXWOQWBHGSP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N(C)CCN(C)C)cc3OC)nc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIWSGCWGBIMXOQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDEVOPSVXPUMKY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMOQBNFIGMIPG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIXONEWFVDHKPC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)nc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIGPEQNRULEJRG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULNNERBLIPYAK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSKWWCQBRBURBB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPENZQXYETWNTQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDYRZMRFDFIBX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)nc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSBUIPXEPFHKDP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3cnn(C)c3)nc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRSQRSCRFXKOHV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccn(C)n3)nc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZEODIUBAOWITL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCOCC4)cc3OC)nc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHKYEWAWXLORFR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMBFLJHJRTAJF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)ncc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVULRMAVBIKLQU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPYDRUGHLBCON-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(CCO)CC4)cc3)ncc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBUUKRNSQJBDL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(Nc3ccc(CN4CCC(CO)CC4)cc3)ncc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFWYGXUQZBYSW-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRBINVLWFQEUIS-UHFFFAOYSA-N", "SMILES:C#Cc1nc(C(=O)NCCCCCCC(=O)NO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAKCYHAHFMDCRW-VURMDHGXSA-N", "SMILES:C#Cc1nc(/C=C\\CCCCCC(=O)NO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXHDCXFXXBRDV-ONEGZZNKSA-N", "SMILES:C#Cc1nc(/C=C/C(=O)NO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJCGMBWXZHLNNO-OWOJBTEDSA-N", "SMILES:O=C(/C=C/c1csc(Br)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAKCYHAHFMDCRW-SOFGYWHQSA-N", "SMILES:C#Cc1nc(/C=C/CCCCCC(=O)NO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXGMOTURBJIGL-GGWOSOGESA-N", "SMILES:C#Cc1nc(/C=C/C=C/C(=O)NO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOICKYRNDPNQC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1csc(Br)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLRUIAIHXAKVSH-XQRVVYSFSA-N", "SMILES:O=C(CCCCC/C=C\\c1csc(Br)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLRUIAIHXAKVSH-GQCTYLIASA-N", "SMILES:O=C(CCCCC/C=C/c1csc(Br)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYHAVTYWOVUBNO-ZPUQHVIOSA-N", "SMILES:O=C(/C=C/C=C/c1csc(Br)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDMOHVPCOOXSF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)c1cc(O)c(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJRYGOORZESBE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(F)(F)F)cc1)c1cc(O)c(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBSJUJWRQTSIL-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)cc(Cl)c1)c1cc(O)c(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAVFFKIPZTMTI-UHFFFAOYSA-N", "SMILES:O=C(c1cc(F)cc(F)c1)c1cc(O)c(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHVIBVZISWKHAF-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)cc(F)c1)c1cc(O)c(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOITWYYPJBHODL-QGZVFWFLSA-N", "SMILES:CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NC(C)(C)CO)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNOXVOVPZRCAI-MRXNPFEDSA-N", "SMILES:CCOc1cccnc1O[C@@H]1CCCN(c2ncc(C(=O)NC(C)(C)CO)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQHIDECQDHTFCG-UHFFFAOYSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC(C)(C)CO)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNKRIPGDXQUEM-UHFFFAOYSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC3(CO)CCOC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760665", "category": ["biolink:ChemicalEntity"], "name": "PF-06865571", "xref": ["InChIKey:UKBQFBRPXKGJPY-INIZCTEOSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CCOC3)cn2)c1"], "synonym": ["Pf-06865571"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBQFBRPXKGJPY-MRXNPFEDSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CCOC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUKOHNBYXZBFY-UHFFFAOYSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC3CCCOC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALIBJJURNGMJO-UHFFFAOYSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC3CCOCC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVMSJOECUPLAC-UHFFFAOYSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC3CCS(=O)(=O)C3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQZTLDLGGPWGQ-UHFFFAOYSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC3CC(=O)N(C)C3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVFYAPTMWNIKT-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cnc(-c2cncc(Oc3ncccc3OCC)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUPJGMACABRHF-UHFFFAOYSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC(C)(C)CS(C)(=O)=O)cn2)c1"]}
{"name": "Diacylglycerol O-acyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL4295847"], "id": "UniProtKB:Q5FVP8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDVOZBCJUVAIMF-OAQYLSRUSA-N", "SMILES:CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCc3cccc(C(=O)O)c3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSWWESEOMUGJH-CRFLUJQRSA-N", "SMILES:COc1cc(-n2cc(-c3ccc4nc(N)nc(NCCCCCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)c4c3)nn2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWULRQWLALOGFO-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cc(-c3ccc4nc(N)nc(N)c4c3)nn2)cc(OC)c1OC"]}
{"name": "E3 ubiquitin-protein ligase RNF168", "xref": ["CHEMBL.TARGET:CHEMBL5169175"], "id": "UniProtKB:Q8IYW5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCXDVFYZEXPJAD-NPUFCJHKSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKAIPIVTMNXHQV-HMUQULLPSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSIAMNIQCIJTC-ZCZXGNTBSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Oc2ccc(O)cc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRXHNICEPCCDT-XUDIUTBUSA-N", "SMILES:COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DONGPEXMSOFTPK-ZCZXGNTBSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSCHCMMUQLECCN-OXSFGYTBSA-N", "SMILES:COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSMJDGKPWBACKY-NWLLECBPSA-N", "SMILES:Cc1ccc(-c2ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(N)=O)C(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOAXYMNAFGXFKB-NWLLECBPSA-N", "SMILES:Cc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANGLXSBMSDVNQ-ZCZXGNTBSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIJRWTNHXPMWIL-RJCZZMSDSA-N", "SMILES:COc1ccc(-c2ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(N)=O)C(C)C)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLAWWRZMHUKYRL-SCHPXODMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMWRWIHOTJXQGD-SCHPXODMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWBQNSAFLJRMBB-IPWKZHGTSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEACRAFRKBEKGO-BSBUPZNOSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2cc(O)ccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZVYODQWZHPCIL-ZSHCWERISA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYXSOIVJSOTBD-ZSHCWERISA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRMOGATAQDVKQ-NWLLECBPSA-N", "SMILES:COc1ccc(C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNMMDMVQVCVRIY-HMUQULLPSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPUIQEIUUXQUKF-HMUQULLPSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNKAGWBZRUACOG-DJNRTCRZSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccncc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNSJPZLRLNSIR-YXRLROBKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMVTHSVZXNLJT-BOEYDHSVSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGJUWFXTJCXCI-RSIHAFCISA-N", "SMILES:C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZVUTWIGFSFAU-FYWFTIDTSA-N", "SMILES:C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQXTILQMHJCSL-ZHKPKNKHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKDZYHYHXLKTO-LMEGGTDHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBVIXBNBZXJUGH-WIGVITIUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MERSKJOGNKRFGK-KUYFRHPFSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2oc3c(OC)c(O)ccc3c2C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)NCCCCC(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2oc3c(OC)c(OC)ccc3c2C)C(C)C)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFWDKYFOFQLEF-DCTDXWPDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGDVUCGFSISQPU-AKDUAXEXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALDNDBTBGYRSH-GVTWMBFFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCCCC(=O)NCCCC[C@H](NC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOEACZBFPUWFFY-HYEHDCCPSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCCCCn4cc(CCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc5ccc(-c6ccccc6C(F)(F)F)cc5)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc5ccc(N)cc5)NC(=O)CN5CCNCC5)C5CCCCC5)C(N)=O)nn4)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFGXQAYICRLKBC-DNSPUKRQSA-N", "SMILES:CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCCCCn4cc(CCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc5ccc(-c6ccccc6C(F)(F)F)cc5)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc5ccc(N)cc5)NC(=O)CN5CCNCC5)C5CCCCC5)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc5ccc(-c6ccccc6C(F)(F)F)cc5)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc5ccc(N)cc5)NC(=O)CN5CCNCC5)C5CCCCC5)C(N)=O)nn4)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGXQFKYXJTVQG-XNUYRIJISA-O", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCc1cn(CCCCCCNC(=O)c2ccc(-c3c4ccc(=[N+](C)C)cc-4oc4cc(N(C)C)ccc34)c(C(=O)O)c2)nn1)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKWKZEDLLLDLPC-BFDFMPPASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCc1cn(CCCCCC(=O)O)nn1)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJPJFQPOLCIQW-VLWXWMHTSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NCCCCCC(=O)Oc4ccc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(C)C)cc4OC)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YREZZSNAITUJPZ-UQIXBXJYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)NCCOCCNC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c4ccc(O)c(OC)c4)C(C)C)C(=O)OCC)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKJGQKRRULDFCI-UHFFFAOYSA-N", "SMILES:O=C(O)C1=CC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UADPGHINQMWEAG-CSKARUKUSA-N", "SMILES:O=C(O)/C=C1\\CCCc2ccccc2C1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5201182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZYZMPKGPEHRF-BQYQJAHWSA-N", "SMILES:O=C(O)/C=C1\\CCCc2c(Br)cccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCPGLVNWROVRRR-VQHVLOKHSA-N", "SMILES:O=C(O)/C=C1\\CCCc2cc(Br)ccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTAMAYUCMQUSJV-RMKNXTFCSA-N", "SMILES:O=C(O)/C=C1\\CCCc2ccc(Br)cc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMCKVWGKONABQA-VQHVLOKHSA-N", "SMILES:O=C(O)/C=C1\\CCCc2cc(Cl)ccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGMMUKXOWYESQU-DHZHZOJOSA-N", "SMILES:Cc1ccc2c(c1)CCC/C(=C\\C(=O)O)C2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHGSIGUNOSQTJ-VQHVLOKHSA-N", "SMILES:O=C(O)/C=C1\\CCCc2cc(F)ccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQANGNJMVMEEBP-VQHVLOKHSA-N", "SMILES:O=C(O)/C=C1\\CCCc2cc(I)ccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIIHWKYBVQTEDC-WYMLVPIESA-N", "SMILES:O=C(O)/C=C1\\CCCc2c(-c3ccccc3)cccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUTNFGZHQLFKOZ-FOWTUZBSSA-N", "SMILES:O=C(O)/C=C1\\CCCc2cc(-c3ccccc3)ccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTPDWBYWFZZRLH-FOWTUZBSSA-N", "SMILES:O=C(O)/C=C1\\CCCc2ccc(-c3ccccc3)cc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEQQGNUZWFTKQE-MIFVOYFBSA-N", "SMILES:O=C(O)/C=C1\\CCCc2c(/C=C/c3ccccc3)cccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMIRVJNLLMKNFX-BFHPBESDSA-N", "SMILES:O=C(O)/C=C1\\CCCc2cc(/C=C/c3ccccc3)ccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXBXDVALLBIBY-CYZWUHAYSA-N", "SMILES:O=C(O)/C=C1\\CCCc2c(/C=C/c3c(Cl)cccc3Cl)cccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAUAVDJCRIKNSY-SAPNQHFASA-N", "SMILES:O=C(O)/C=C1\\CCCc2c(CCc3ccccc3)cccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16687", "category": ["biolink:ChemicalEntity"], "name": "CGS-15943", "xref": ["InChIKey:MSJODEOZODDVGW-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5186013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPLAHBKWSNADG-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(Br)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACQAFBNLMBTBY-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(Cl)cc2c2nc(-c3ncco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGNZMYSKIBCKI-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(O)cc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRFVRQTMSLWOK-UHFFFAOYSA-N", "SMILES:CCN1CCc2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWUOBVYVIZFSU-OZIGZCJVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSOBPZYHHFLALA-DIFMCXABSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOPFCHOEDZOJH-FYOHGXGVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQFRHCVYPCZKN-WUFJHLHWSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUJTXHMPXRYRKV-HYLJGVCTSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGHJQGFZUBABMW-LZSNUBKUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHJDWFVYKHFCFC-HYLJGVCTSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTGKEAIWNYGRR-AXEWLHQSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLVNKXXDSRLAY-ZHQHOMBHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CSSCCOC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMVXQFGEAIVASF-NQKQSBNWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CSSCCOC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)NCC(=O)N[C@@H](CSSCCOC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C1c3nc4ccccc4cc3NC1C2=O)C(=O)NC(=O)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYZWAMATWJPAV-HLPHZTGUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC(=O)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(N)=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNPCXDHJOPZRF-LIRXVMHASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOVQNXRQXIPSSH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKBUSRPVKQXBON-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJAILQGBYOWRZ-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1F)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSESKYOKQSXMFJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDKOJWPLMOJKIU-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQWLEPVSMBVRS-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1C(F)(F)F)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBOCJJKBIHPDJL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIQEYYBFBGNOZ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGKRRKHAZHXEC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccc(C(=O)NO)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZYYASDRQOVDAK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccc(C(=O)NO)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFHRPRUPRPMND-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)CN(Cc1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNMWQTWYLWJEN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOZBUHUOLALVBS-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRVDCOBJGNUNNX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)CN(Cc1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEULZAPKCPGNFD-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)CN(Cc1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGXHGQIMMAKJH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXKZGDNGWXGSQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWCLIIDYSGNTQD-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRMXRSPDEBHVSW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKTNTTZMSUXXMF-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVGBSNRZVJGQFL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C6CCOCC6)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNIGFMNUHDZKX-UHFFFAOYSA-N", "SMILES:O=C1NCCCCn2cc(cn2)-c2cnc3ccc(cc3c2)CCn2nc(ccc2=O)-c2ccc1c(C(F)(F)F)c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBPDRAICTWUKC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(Cn4nc(-c5ccccc5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVXCWPUJGEGGL-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccccc2)nn1Cc1ccc2ncc(N3CCOCC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJAKCDJSNJMCGU-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccccc2)nn1CCc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIOMTVOYHNMYTL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5ccccc5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDZWCYHESLJBK-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccccc2)nn1CCc1ccc2ncc(N3CCOCC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFZXZPGIUKZFK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(-c3ccc(=O)n(CCc4ccc5ncccc5c4)n3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLWZIEQHIWTQOI-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccc(N3CCOCC3)cc2)nn1CCc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLIHZAGMRYGPAD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5ccccc5F)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYKTGAZCPSKBZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc(F)c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDOZTXIOMQUSH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5ccc(F)cc5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYCAVVQVWOOTGI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc(Br)c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDNEFIREQEMIK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc(Cl)c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMIXFQVFLBSAKA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc(C#N)c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLULHEURWZPEMA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc([N+](=O)[O-])c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKCXDIYFSANRA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc(C(F)(F)F)c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHKFJBJXUFZGNK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc(N)c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNPJTXNEHMFLK-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAPNCLKLCSLOGS-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJRVUAQXQZEXQA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc(OC(F)(F)F)c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLGHBVKZJSYIEL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPAWKGYNCCRTN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODXCLHWCKABXDQ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5ccc(C(=O)O)cc5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZGQGBFKMPQJKF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQQRNNVMLIYQAD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5ccc(F)c(F)c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLYONPOQLPNCMA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKDLMGCYOHYJQL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5ccc(C(=O)O)c(C(F)(F)F)c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUMBDXILECDMAC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLCDQTCPBRMEPQ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccc(CCn4nc(-c5cc(F)c(F)c(F)c5)ccc4=O)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPAYIOWXZXMYAY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(N5CCN(C)CC5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYCPSNZXMJWAGL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(N5CCC(N6CCOCC6)CC5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRAWEXXMKOSKG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(N5CCC(N6CCN(C)CC6)CC5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZPOTQMUTAFOJT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(N5CCC(N6CCCC6)CC5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZAJKFYDPRILPN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(N5CC6CNCC6C5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDBVTWASSDLDCE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(NCCN5CCOCC5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NULBWEXDJCDLOD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(NCCN5CCCCC5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZAMZDPMPBCGQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cn[nH]c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYVYYYFZQHUPY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(C6CCNCC6)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGNFHLYCVKCPR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(CCO)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOFHAUMRSYQCSV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(CCOC)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTIVTZESXYYSZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCc3ccc4ncc(-c5cnn(CCN6CCOCC6)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHFFKLIQPPSHSV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CCOc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVGRHNDEIFUSS-MDZDMXLPSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(/C=C/c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGLIFFAKDVMFLE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(NC(=O)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSZAAFCFVNQLJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(=O)n(CC(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSAATDNGUQMRLJ-UHFFFAOYSA-N", "SMILES:O=C1NCCCCCn2cc(cn2)-c2cnc3ccc(cc3c2)CCn2nc(ccc2=O)-c2ccc1c(C(F)(F)F)c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMGAHUGGLEVAR-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3nc(-c4cnn(C)c4)cnc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRGZHSLCMSKID-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)cnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDKMUAXCBDODJH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGZFYTZDGTEOZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVGWOKKNFJXBH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(NC)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDSHPMWZALCDN-UHFFFAOYSA-N", "SMILES:CCOc1nn2c(-c3cncc(C(=O)NC)c3)cnc2cc1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBACXGSAIWIMHV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OC(C)C)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUAMECUKAAOVCU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(Oc4ccccc4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXSRREBMGHQKDS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OCc4ccccc4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRKAXDIDQXFEFR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OCCN(C)C)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCIUMOGDVOFIZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CN(C(C)=O)C4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOZBLWHKQFUBI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCN(C)C4=O)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJLUKMKPWLQLP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCOCC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWGQPNZUSKGQY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4COC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWQREKFRLSPQU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCOC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWQREKFRLSPQU-QGZVFWFLSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(O[C@@H]4CCOC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWQREKFRLSPQU-KRWDZBQOSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(O[C@H]4CCOC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNMAPUNKOCMYMH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCOC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIWWARHIDNFXAZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(F)c(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSDPLBJLHJTJP-FQEVSTJZSA-N", "SMILES:CNC(=O)c1cc(C)cc(-c2cnc3cc(-c4cnn(C(C)C)c4)c(O[C@H]4CCOC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXJNJORIXUBRE-INIZCTEOSA-N", "SMILES:CNC(=O)c1cc(C)c(F)c(-c2cnc3cc(-c4cnn(C)c4)c(O[C@H]4CCOC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDZEHDPNRWKLG-AWEZNQCLSA-N", "SMILES:CNC(=O)c1cc(-c2cnc3cc(-c4cnn(C)c4)c(O[C@H]4CCOC4)nn23)c(F)c(C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZHANKJSPAJGFW-AWEZNQCLSA-N", "SMILES:CNC(=O)c1cc(F)c(F)c(-c2cnc3cc(-c4cnn(C)c4)c(O[C@H]4CCOC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYQDOAWXLMOOHX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2cnn3cc(-c4cnn(C)c4)c(OC4CCOC4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKGIGFZDVPVNO-SFHVURJKSA-N", "SMILES:CNC(=O)c1cncc(-c2cnn3cc(-c4cnn(C(C)C)c4)c(O[C@H]4CCOC4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCVQDAVSKDENJO-SFHVURJKSA-N", "SMILES:CCNC(=O)c1cncc(-c2cnn3cc(-c4cnn(CC)c4)c(O[C@H]4CCOC4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKGIGFZDVPVNO-NGGDXUQASA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1cncc(-c2cnn3cc(-c4cnn(C(C)C)c4)c(O[C@H]4CCOC4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJBIMKIGAOMPJ-JBKGLDERSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1cncc(-c2cnn3cc(-c4ccn(C(C)C)n4)c(N[C@H]4CCOC4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YESZSKJQWACRAK-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQSFEMNKVEYFO-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cn(C)nc1Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVYNNCQMJKHHT-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC(C)(C)C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCRUNZWLCXEFH-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)Nc4ccccc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYQKRVHIDDENA-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)Nc4cccc(F)c4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGILQAHGHCBXOW-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)Nc4ccc(C)cc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSQYQJIDRIRYAK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cn(C)nc2Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICYUVEQFEPNPJV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)Nc4ccc(OC(F)F)cc4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOJBBRMPWWCPLT-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJXOSDNGNBDSS-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCCCC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJYLHXHNLABNBK-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4C5CC6CC(C5)CC4C6)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOQIILNVAHBGEE-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPBVHZKZSLNJG-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZLZUSFYTPVJRX-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCOCC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPXCQDDMDSOFU-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCC(F)(F)CC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSKHZBREDNBOU-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOHLKJHKLMMAEV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYYWWMRIDSREBC-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3OC)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOOEVOLBXMYJD-UHFFFAOYSA-N", "SMILES:COCCOc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBDKUSHIGBFGFJ-UHFFFAOYSA-N", "SMILES:COCCCOc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQYMPVCXDWPGK-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)ccnc2cc1OCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCJSZNTVTVXGA-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)ccnc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHIYEIPLJESCW-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRQTJMZEYORSP-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBFTWFZESHABV-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGZASRPZTFYHQC-UHFFFAOYSA-N", "SMILES:Ic1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPPGATZPDHZTJJ-UHFFFAOYSA-N", "SMILES:Brc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLCQIVFRJHHRF-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(I)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBPAPLFTKSEHF-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJLIUAVUBZXSF-MUJYYYPQSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c([C@@H]4C[C@@H]5CCC[C@@H](C5)C4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSWIXKACWYNELE-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQSKBZQCVNFXRV-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIVRUYOVNLXIQA-UHFFFAOYSA-N", "SMILES:FC(F)(F)CCC(CCC(F)(F)F)c1nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVBINUGVSWCTQ-JOCQHMNTSA-N", "SMILES:FC(F)(F)[C@H]1CC[C@H](c2nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMPDXFZIOXNJQW-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYNRBWNXNMPXNT-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJVRSIGHHSDSJ-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3nc(C4CCCCC4)[nH]c23)cc1Cl"], "synonym": ["LUF-6000"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIAWUMXIIRHASR-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLCJNPFHCIGKND-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCC=CCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFOIGWFHOKUEU-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCCCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVFNLCCFVPDRJ-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCCCCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXWBRRDKLYQLR-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCCCCCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSOKIBTPZERLH-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCCCCCCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULLJQDINRCHFF-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4C5CC4C5)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBPCMWLTVPQQP-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C45CCC(CC4)C5)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUSBPBSSXUJDMH-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C45CCCC(CCC4)C5)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNUMYWVLOLSFPD-QKDCVEJESA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c([C@@H]4CC[C@@H]5C[C@@H]5CC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNGABZDEXDDOLQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CC5C=CC4CC5)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUANTWWGZTNSH-IXBARVDASA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c([C@H]4CC[C@@H]5O[C@@H]5CC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUANTWWGZTNSH-VVTJPZINSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3[nH]c([C@@H]4CC[C@@H]5O[C@@H]5CC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEIRZVFTKICSLI-UHFFFAOYSA-N", "SMILES:O=C1CCCC(c2nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZMTQRKDGYKBL-UHFFFAOYSA-N", "SMILES:OC1CCCC(c2nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCMJNHLOORCQRN-DTQAZKPQSA-N", "SMILES:COC(=O)/C=C/c1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJPMCVJQNGSQSI-UHFFFAOYSA-N", "SMILES:Clc1ccc(C#Cc2ccc(Nc3nc4ccccc4c4[nH]c(C5CCCCC5)nc34)cc2)s1"]}
{"name": "Cytochrome P450 1A2", "xref": ["CHEMBL.TARGET:CHEMBL1671611"], "id": "UniProtKB:P00186", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1671897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHDSRMIDIQABTP-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKPEYHRIVQTCU-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2ccc(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLOLVFLAXFXKBU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5181189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAIIHGBBKNEMU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRIKKSSTVCDDDZ-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABAWQRCDXXOMF-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1F)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIFMANNOUHDCIV-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(OC(F)(F)F)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMICHMMDVJZKAV-MRXNPFEDSA-N", "SMILES:CCCS(=O)(=O)Nc1ccccc1C(=O)N[C@H](CC)c1ccc(OC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1081188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTAJHKSGYJSZBR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDFJSGKJFCDGKU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(=O)Nc2ncccc2O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1892258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDVSPAPZJWTXIR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUBOFYHGYNUDL-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1ccccc1OC(C)C)c1ccc(Cl)cc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCRZYADKQRHHSF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRGCVHPINYBIOC-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)c1ccccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCRZYADKQRHHSF-KTXUZGJCSA-N", "SMILES:COc1ccc(O[11CH3])c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYVBWMKTLYIKQI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3oc(=O)n(CC(=O)N(C)c4ccccc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYRKMNHUANBOW-KVTPGWOSSA-N", "SMILES:CC(=O)N(Cc1ccccc1OC[18F])c1cnccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHZBNHMEIOBPAE-JVVVGQRLSA-N", "SMILES:CC(=O)N(Cc1ccccc1O[11CH3])c1cnccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPPIMCAXMRGADQ-FNNGWQQSSA-N", "SMILES:CN(C(=O)Cn1c(=O)oc2ccc(-c3ccc(OCC[18F])cc3)cc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJOUJPAYGMDLI-JVVVGQRLSA-N", "SMILES:CN(C(=O)Cn1c(=O)oc2ccc(-c3cccc([N+](=O)[O-])c3)cc21)c1ccccc1O[11CH3]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAYRZKKNXOKHBG-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Cc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDXBKFJWMSMHBS-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Cc1c(-c2ccc(OC)cc2)nc2ccc(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNNHNEARVBYQCH-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Cc1c(-c2ccc(OCC(=O)O)cc2)nc2c(Cl)cc(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHAJQVIKPJWKL-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Cc1c(-c2ccc(OC)cc2)nc2c(Cl)cc(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432608", "category": ["biolink:ChemicalEntity"], "name": "ALPDEM", "xref": ["InChIKey:QYVWBXJKZUCSNI-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5194870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USCOGLDCUXHISP-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NCC(=O)O)cccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451770", "category": ["biolink:ChemicalEntity"], "name": "DPA-714 F-18", "xref": ["InChIKey:FLZZFWBNYJNHMY-VNRZBHCFSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc(OCC[18F])cc2)nn2c(C)cc(C)nc12"], "synonym": ["18f-dpa-714", "Dpa-714 f-18", "[18f]dpa-714", "(18F)DPA-714", "BAY85-8102", "BAY858102", "J3.034.965B"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOSURUAYCENHU-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cn1c(=O)n2c(C)c(-c3ccccc3)nc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXPGZURVLRWNBR-UHFFFAOYSA-N", "SMILES:Oc1nc2ccccc2c2nc(-c3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQACJACSCGKFBO-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cn1c(=O)n2cc(-c3ccccc3)nc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGXXWAPSCJIHE-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cn1c(=O)n2cc(-c3ccc(OC)c(OC)c3)nc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPAQILXZCAOTK-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Cn1c(=O)n2cc(-c3ccccc3)nc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXHPZLOQKVBQFU-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Cn1c(=O)n2nc(-c3ccccc3)nc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEENFQFREXVVSG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1538928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWYWWRBZDDFMO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2237641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSWYOBXOAKHEL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2237643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLVKCFGDFIGZLL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2237646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYVUEKAZFHMRAV-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2237648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQVWTHTCHSHMY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUPIRLCXNXPTKX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHUFQQVWLUZBB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWZPYIYJKLYIHC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKFLEDCNJFJMQT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(c3cccs3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZYZAVDMUOOBN-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cccs3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKPZGJATNUUKM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEXBXMJXXABDQF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVLHSOPDSTNGI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKTLMQICPPERPB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZJHEIVVDMVFN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYNUJUUPDFSJEX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cccs3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXLXUJULQEMHY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cccs3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTFVAXOMFNDDQF-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPCOXOOFWCXPK-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOCHWMLSHMATRP-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJDIUNMMGRAIA-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJHPMKAERBOCJC-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGAKHPDMOCLCI-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(C)=O)C(c3ccc(OS(N)(=O)=O)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAJVBQRSVSECJK-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(F)cc2)CC1c1cccc(OS(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INVLGYOOKHRPFI-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZZXDWFHPKMZGZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMLXNSGACNELZ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSMZAYYRDXLQK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBCSOIUSUZMPCS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C2CC(c3ccc(F)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEILXRPGGJRYAC-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3ccc(F)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYUVOEHGWQAMIB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNLZQRULWJZIQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLPUZAVOIIKMGY-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYRYSOBBZZXIJN-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBJBJRRBRAYISF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C2CC(c3ccc(Br)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSNORRGQWDFAU-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3ccc(Br)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYCCXFIFQCPLTO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(C(F)(F)F)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRVMVOLVNUZNS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C2CC(c3ccc(C(F)(F)F)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIDWITYDSYYDC-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3ccc(C(F)(F)F)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJVYPXXVVCPGD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cccs3)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCRUWABZZUSVRQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C2CC(c3cccs3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWKHNJGFYAHCZ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQHECMQIIWOBZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2noc(-c3ccc(S(N)(=O)=O)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXGOVWRLJZUVOX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAIFPIXHYCSKB-UHFFFAOYSA-N", "SMILES:COc1cc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEOMLDSNRYJVEH-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSXDQLJVWGNMIO-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(SC(C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCQSTLLWVHPPY-SZXQPVLSSA-N", "SMILES:CC(=O)/C(=N\\Nc1ccc(S(N)(=O)=O)cc1)Sc1nc2ccccc2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVARBFAMAYFCMT-XAYXJRQQSA-N", "SMILES:COc1ccc2nc(S/C(=N/Nc3ccc(S(N)(=O)=O)cc3)C(C)=O)n(-c3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1369708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXNKQWYBLXKGFU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N=C2C(=O)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYAFQWXPHNYXPC-VKAVYKQESA-N", "SMILES:CN1C(=O)/C(=N\\c2ccc(S(N)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTHVSISLGLDTRL-SDXDJHTJSA-N", "SMILES:CCN1C(=O)/C(=N\\c2ccc(S(N)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWWMPRKPMINKAY-MNDPQUGUSA-N", "SMILES:C=CCN1C(=O)/C(=N\\c2ccc(S(N)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCPRNHSCXNWBP-ATJXCDBQSA-N", "SMILES:NS(=O)(=O)c1ccc(/N=C2\\C(=O)N(Cc3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQIZRLRULPMKZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C2\\C(=O)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTNNORMRVRBNIN-JXAWBTAJSA-N", "SMILES:CN1C(=O)/C(=N\\Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTOQSNOEVAGNK-CYVLTUHYSA-N", "SMILES:CCN1C(=O)/C(=N\\Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBBIJEWZRWYHLH-SILNSSARSA-N", "SMILES:C=CCN1C(=O)/C(=N\\Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMDJXWUHVVBRP-GFMRDNFCSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C2\\C(=O)N(Cc3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJXZARVUXLPDMV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NCC(=O)N/N=C2\\C(=O)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTAHEYMYOLAPD-PGMHBOJBSA-N", "SMILES:CN1C(=O)/C(=N\\NC(=O)CNc2ccc(S(N)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDUYSMYOIJRUIZ-XLNRJJMWSA-N", "SMILES:CCN1C(=O)/C(=N\\NC(=O)CNc2ccc(S(N)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFVBQUWGAZJJX-NKFKGCMQSA-N", "SMILES:C=CCN1C(=O)/C(=N\\NC(=O)CNc2ccc(S(N)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQTLMFWXGTZGQE-QYQHSDTDSA-N", "SMILES:NS(=O)(=O)c1ccc(NCC(=O)N/N=C2\\C(=O)N(Cc3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTHIYOVHKHROV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJHHHUZLXKWODD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CONIZRUGVBAIAU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWEKELOXTNQNRM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCVFBQQKPZLRDN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccccc2C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZZXVQKRAXQCBO-GIJQJNRQSA-N", "SMILES:C/C(=N\\O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSKIEIEFNHCMV-AFUMVMLFSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(N2C(=O)C3CC=CCC3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZXSVWUJVLYDR-AFUMVMLFSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCIZPZPYNDHLB-CVKSISIWSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(N2C(=O)c3ccc(C)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLPWREJAGHLTIE-MUFRIFMGSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(N2C(=O)c3ccc(C(C)(C)C)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZTQCBJBOCONEN-KKMKTNMSSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSQJCWAEAFSMR-VYVUJPJFSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLUWGZWLBVJQJL-VYVUJPJFSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSALRUWGXXLTSG-LGJNPRDNSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLFEXOZFSHRMW-INRUPRTJSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(N2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAFXVHWGUZVBJT-LJQANCHMSA-N", "SMILES:CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHIKVQPZJHTKQS-HSZRJFAPSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)[C@@H](CSc2ccccc2)NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PERIWNAQIDGYRM-OAHLLOKOSA-N", "SMILES:CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNBQWUUSAFOOS-OAHLLOKOSA-N", "SMILES:CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYWOOQEZIIEIV-FQNRMIAFSA-N", "SMILES:CCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJUEDOYWGORPH-RUZDIDTESA-N", "SMILES:NS(=O)(=O)c1cccc(CCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTQWBVGMCVAMQ-FQNRMIAFSA-N", "SMILES:CCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDCYFAEHPXXHM-FQEVSTJZSA-N", "SMILES:CC(C)(C)OC(=O)C[C@H](Cc1ccccc1)C(=O)CCC(=O)NCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYIOPWFDRWAGAH-XTEPFMGCSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)C[C@H](Cc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMYDGYHHYDTHJ-TWBYEDGTSA-N", "SMILES:CCC(C)[C@@H](CC(=O)[C@H](N)Cc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWAPQGDUHGMNIZ-UHFFFAOYSA-N", "SMILES:COc1cc(S(N)(=O)=O)ccc1-c1nc(-c2cccc(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGCOHICXHZUBW-VSGBNLITSA-N", "SMILES:CC(C)[C@@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRAABMTZMWMWSD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNEYTOQJBQJNOQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHTDZQLORQKFFG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRGXANRYPQYSJU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nc(C3CC3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSCSHXGNULYXMZ-LJQANCHMSA-N", "SMILES:CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETYPSPOMZTKEB-HXUWFJFHSA-N", "SMILES:CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVLMKLOCHDRKSV-LJQANCHMSA-N", "SMILES:CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYXBPBAZRXRJE-CBHNQEKLSA-N", "SMILES:CCC(C)[C@@H](CC(=O)[C@H](CC(=O)OCc1ccccc1)Cc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAUODWXBHXXCQ-YDXUMQLFSA-N", "SMILES:CCC(C)[C@@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUEHTJDQDKYQSH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)C3CC=CCC3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXINKFNHTZSELL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3nccnc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNSTVJZXPLDIU-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)N(NC(=O)c1ccc(S(N)(=O)=O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYEQUFYKCSNCSN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)C(=O)N(NC(=O)c1ccc(S(N)(=O)=O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOAPUWCQKFOKO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nc(-c3cccnc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAGBTMZRQXMQCH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2nc(-c3cccnc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDTRTZWFPWBMOS-CLCOLTQESA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C2\\C(=O)N(C(=O)c3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJVNQAMXKGXUSL-LICLKQGHSA-N", "SMILES:C/C(=N\\O)c1ccc(N2C(=O)C3CC=CCC3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDTPYTQTNPTXLT-LICLKQGHSA-N", "SMILES:C/C(=N\\O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTPYTIVZWLZIL-WOJGMQOQSA-N", "SMILES:C/C(=N\\O)c1ccc(N2C(=O)c3ccc(C)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQIGHHMHQPNLTN-CIAFOILYSA-N", "SMILES:C/C(=N\\O)c1ccc(N2C(=O)c3ccc(C(C)(C)C)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBENEAGMLQZUCA-UFWORHAWSA-N", "SMILES:C/C(=N\\O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSKURZFBSRLEO-AERZKKPOSA-N", "SMILES:C/C(=N\\O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCMLGWGNCCRASA-AERZKKPOSA-N", "SMILES:C/C(=N\\O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAVDSMAZQWNJM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZISBSVOWWSSQFO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKGSEOGCJUDPKK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTZWZEBPGVEQHG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVESTLMSLRITRG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3cccc4cccc(c34)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRHNYWISLSVCP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWAQJYJKUFFEPZ-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-n3cc(-c4ccc(Cl)cc4)nn3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEYJSXSPCJPMOA-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(F)cc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTEXTXISPSGJGM-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccccc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPOASFPAYLZKT-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(F)c(Cl)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IISVBECEDQMGKL-WEVVVXLNSA-N", "SMILES:O=C(O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMHLNIJHJPIPKG-UXBLZVDNSA-N", "SMILES:COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHJSLVOPVIKAN-GFXGDVFHSA-N", "SMILES:C/C(=N\\O)c1ccc(N2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNZNQPIMWJASR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJWFIIRYHFDMLT-SLMZUGIISA-N", "SMILES:COc1ccc(C(=O)N2C(=O)/C(=N\\NC(=O)CNc3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDKHACMPMBUCL-PGRDOPGGSA-N", "SMILES:CC(C)[C@@H](CC(=O)[C@@H](C)CC(=O)OCc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNYSPGLDGPDIU-RMKNXTFCSA-N", "SMILES:O=C(O)CN1C(=O)S/C(=C/c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRSKITNPPDAUKH-UXBLZVDNSA-N", "SMILES:Cc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXDBEXHBCCCONV-WEVVVXLNSA-N", "SMILES:O=C(O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXSZFJZFHSKAG-WEVVVXLNSA-N", "SMILES:O=C(O)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYISOQXSDQHERI-UXBLZVDNSA-N", "SMILES:COc1cccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDODWFPDZYSKIA-UHFFFAOYSA-N", "SMILES:[SeH]c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFQUBYKYUXKNR-UHFFFAOYSA-N", "SMILES:COc1ccccc1[SeH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFLZHIFSSPRTHB-UHFFFAOYSA-N", "SMILES:COc1cccc([SeH])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDBBZWYJXGYNI-UHFFFAOYSA-N", "SMILES:COc1ccc([SeH])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMXPRXKGKFJNY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1[SeH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUPVJXUFKMXARC-UHFFFAOYSA-N", "SMILES:Cc1ccc([SeH])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSCBUCMYQTSHQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1[SeH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJJYODJNZMMAY-UHFFFAOYSA-N", "SMILES:[SeH]c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMNEWGUEIWVGE-UHFFFAOYSA-N", "SMILES:Fc1ccc([SeH])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXLCJXKOHANMK-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FONDQFJKIULAHB-UHFFFAOYSA-N", "SMILES:CCSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSOMKXSIVVIVPQ-UHFFFAOYSA-N", "SMILES:N#CCSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMUYWDZIIQJMA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCc3ccccc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVALRJNVXUNTQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCc3ccc(Br)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUYFAVZJFJPPQY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYOHNOWKLBJKQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYBGFRMBDDUJBQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFTWHRYJGDZBH-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQEFYEUNVFDIII-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1504978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHTBDJMRXLCQNE-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(SCCN2CCCCC2)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2297151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJBBUZYWTXUBEY-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCSc1nc2ccccc2c(=O)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOFILYJXBTPPQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCC(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWTUAITMMICDY-UHFFFAOYSA-N", "SMILES:NC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRMQALIKUKOPIW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCC(=O)Nc3ccc(F)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXGYDAEKDOFPV-MDZDMXLPSA-N", "SMILES:NS(=O)(=O)c1cccc(N/C=C/C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNDGWRDBIEZRJ-CMDGGOBGSA-N", "SMILES:NS(=O)(=O)c1cccc(N/C=C/C(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPIFZCNDELXVOF-CMDGGOBGSA-N", "SMILES:NS(=O)(=O)c1cccc(N/C=C/C(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTKHYDQGCGNAT-MDZDMXLPSA-N", "SMILES:Cc1ccc(C(=O)/C=C/Nc2cccc(S(N)(=O)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMWZZZNJPIGOGE-MDZDMXLPSA-N", "SMILES:COc1ccc(C(=O)/C=C/Nc2cccc(S(N)(=O)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLNSNXWIZOYTBT-CMDGGOBGSA-N", "SMILES:NS(=O)(=O)c1cccc(N/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNZLOBIWWOPMA-ZHACJKMWSA-N", "SMILES:NS(=O)(=O)c1cccc(N/C=C/C(=O)c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJAUMHGOQJPXBU-VOTSOKGWSA-N", "SMILES:NS(=O)(=O)c1cccc(N/C=C/C(=O)c2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVANFFKUMNJMFK-VOTSOKGWSA-N", "SMILES:NS(=O)(=O)c1cccc(N/C=C/C(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYZWBKWFKVNDK-ZHACJKMWSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAUEJKKIQTCJJ-MDZDMXLPSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRBTYTIOTKXEIR-MDZDMXLPSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1582269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBRGTNOAPZBPH-MDZDMXLPSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLZLDBMTUCMZLC-ZHACJKMWSA-N", "SMILES:Cc1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBJEFYSKMWAOC-ZHACJKMWSA-N", "SMILES:COc1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLWPNZEITZEBS-BQYQJAHWSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBBHQVRKSPPLX-BQYQJAHWSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C/C(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOSYWKMFSSCRBJ-CXUHLZMHSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLSDZVJYZZHMGD-UDWIEESQSA-N", "SMILES:CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(S(N)(=O)=O)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSSPWKZTGOTAH-CXUHLZMHSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUWUYDGHWFONNM-CXUHLZMHSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRWLNTADTJCVRS-RQZCQDPDSA-N", "SMILES:COc1cc(/C=N/NC(=O)c2ccc(S(N)(=O)=O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSOUXIIJZKOEJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYBKJJQZFONFM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCC(=O)c3ccc(Br)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVTXQFMNJUSTO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHAHDUJHAPKDGH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDFPLFIABTYNSX-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDTTXXDVNDPJD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCC(=O)Nc3ccccc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFDVNPUOGCNTKU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARNUOBFNWJKPHJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVUZLXVQTQRKFZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIDKHYSMCDAHF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTHWUFOCBPXVFK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIOGNZULRALPD-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXNJJQJMUQISOF-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUUWBGNPXJEUKC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2c(SCC(=O)NCc3ccc(F)cc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMCHOYKMLMEEJL-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXPLOWGURAOUPJ-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOYJWBOEURENBY-MDZDMXLPSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZJBVAQVFHTCAD-VAWYXSNFSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSHOIFJKIQSFU-UHFFFAOYSA-N", "SMILES:COc1cc([SeH])cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYMAKNDVYGWPAQ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3ccc(N)cc3)=NN2C(N)=S)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFKUKYQJSNEFAE-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3ccc(Br)cc3)=NN2C(N)=S)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHSOBKRBLSPERS-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3ccc(C)cc3)=NN2C(N)=S)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEMRSHYRUGCKNE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(N)cc3)=NN2C(N)=S)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHJNHIKNSZYEFA-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3ccc(O)cc3)=NN2C(N)=S)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORVIDXMQQVQAS-RUDMXATFSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(N)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQYAKZDBZTTSS-RUDMXATFSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSPIHNUGEOGEEL-JXMROGBWSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL471438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKPHRSWFCYOYQF-YCRREMRBSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCXVCOTEQNLRI-VZUCSPMQSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDMAAGFWYQMJD-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C1=NNC(c2ccccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYFKLLLGYJGBZ-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C1=NNC(c2cccc(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXUGSHBLOSJZGX-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C1=NNC(c2ccc(F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJEDZTZEINIBSU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)O)c(C(=O)O)c2-c2ccccc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPMUGXIICCTPJZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)Cl)c(C(=O)Cl)c2-c2ccccc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTLQGGDVQNIJG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(N)=O)c(C(N)=O)c2-c2ccccc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJJHGXYWFLYNU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C#N)c(C#N)c2-c2ccccc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFMXQBWCHXBRJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(-c2ccc(C)c(C)c2)c(-c2ccccc2)c1C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUBRPDNJVSLJRP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)[nH][nH]c(=O)c3c2-c2ccccc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXLUHJCUDAZKM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(N)nnc(N)c3c2-c2ccccc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FATFLLVQSOTVAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(c2-c2ccccc2)C(=O)OC3=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJFMHTHIHYOFGD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(c2-c2ccccc2)C(=O)NC3=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHRHAMVXXZGIB-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2nn(-c3ccc(C)c(C)c3)c(-c3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOGBCDNWAHDILI-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)OCCOC(=O)C1=C(C)N(CCCCO)C(=S)NC1c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQNIMTNTRJLZON-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)C1=C(C)NC(=S)N(CC(O)CCl)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTAJWJXCJPVMBR-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)OCCOC(=O)C1=C(C)NC(=S)NC1c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHNPRGYLDOPCY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NC(=S)NC(C)=C2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYQSMOEYIEVEN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQZKASAOOKCZKL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGPFJTIFNVWCCG-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCDHSHBAYGMMFU-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGMRGYHIPZWWJU-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(C)NC(=S)NC1c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTYCWDQBPUJMJM-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBBZAGIHQLINE-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(C)N(CC(C)O)C(=S)NC1c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPCBZXZXDHRSKA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N(CC(C)O)C(=S)NC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBRODHADHEOQA-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(C)N(CC(C)O)C(=S)NC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLHWCZCFZRJED-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)C1=C(C)N(CC(C)O)C(=S)NC1c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHWDXPSKBRLJJX-UHFFFAOYSA-N", "SMILES:CCC(O)CN1C(=S)NC(c2ccccc2)C(C(C)=O)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIYQTUWFSRDKNL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N(CC(O)CC)C(=S)NC1c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPBPUYZTOEXKO-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(C)N(CCCCO)C(=S)NC1c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQGXNXMZHMNGP-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(C)N(CCCCO)C(=S)NC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOLFYQFOZOPHQZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NC(=S)N(CCCCO)C(C)=C2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLYVOBTZOWWPJJ-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)OCCOC(=O)C1=C(C)N(CCCCO)C(=S)NC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPYKYEANAOKPGZ-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGOFDHQRQMQMLF-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHIJDEHPTXACID-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOLHLJVARXSJO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C#N)=C(N)n3c(=O)c4ccccc4c(=O)n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVIFZOVPSIRJAX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2C(C#N)=C(N)n3c(=O)c4ccccc4c(=O)n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUUQVGJDUIPELL-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYFTXYVUAWNJH-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccccc1)n1c(=O)c3ccccc3c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHWJVFZJZHZOZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2C3=C(CCCC3=O)n3c(=O)c4ccccc4c(=O)n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYGFKZUEUOUAEE-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)n1c(=O)c3ccccc3c(=O)n1C2c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUWAHNOVHPROW-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)n1c(=O)c3ccccc3c(=O)n1C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIQTZAYGWIMGY-UHFFFAOYSA-M", "SMILES:C=Cc1ccc(C[n+]2ccn(Cc3ccccc3)c2C)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYCHEZKVUQMRX-UHFFFAOYSA-N", "SMILES:Cc1n(Cc2ccccc2)cc[n+]1CCc1ccc(O)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNDIGDIBKDGJC-UHFFFAOYSA-M", "SMILES:Cc1n(Cc2ccccc2)cc[n+]1CN1C(=O)c2ccccc2C1=O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBILZLVKNSUBR-UHFFFAOYSA-M", "SMILES:COc1cc(OC)c(C[n+]2ccn(Cc3ccccc3)c2C)c(OC)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKFAMYXHNARCBE-UHFFFAOYSA-M", "SMILES:Cc1n(Cc2ccccc2)cc[n+]1CCO.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRBTDAPIFQJSJ-UHFFFAOYSA-M", "SMILES:C=Cc1ccc(C[n+]2ccn(CCCCCCCCCC)c2C)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPOLAKAVCLGKO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1cc[n+](CCc2ccc(O)cc2)c1C.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOCXRUDOFUTNQC-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCn1cc[n+](CN2C(=O)c3ccccc3C2=O)c1C.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCCUOMQAEKRODN-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCn1cc[n+](Cc2c(OC)cc(OC)cc2OC)c1C.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZNDYGVRMTESW-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCn1cc[n+](CCO)c1C.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBGXZLCYVOPKV-UHFFFAOYSA-M", "SMILES:C=Cc1ccc(C[n+]2cn(Cc3c(C)c(C)cc(C)c3C)c3ccccc32)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYMKMKTNLRVML-UHFFFAOYSA-M", "SMILES:Cc1cc(C)c(C)c(C[n+]2cn(Cc3cccc(C#N)c3)c3ccccc32)c1C.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMSQCMMMPKMCF-HGSJOUDDSA-N", "SMILES:O=C1[C@@H]2[C@H](C(=O)N1c1nc(-c3ccc(Br)cc3)cs1)[C@@H]1C=C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFZQGNZNOLKTL-ZPCRYNMYSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPKUYHLYPKKJX-YZWHCQAXSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2ccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4C3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVGNVTHVQLYDAG-HFWAKRHWSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYIFFKSGBVEUTN-IQWACHLCSA-N", "SMILES:Cc1cccc(/C=C/C(=O)c2ccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4C3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRQEGPJNBPVHP-VUASXRTNSA-N", "SMILES:Cc1ccccc1/C=C/C(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXNRONSFWTMDL-YYBNVSHVSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXIADAGRXBJTPY-ZRUQSULASA-N", "SMILES:O=C(/C=C/c1cccc(Cl)c1)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYULXWMEGXTXSL-RVSZZEMNSA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDYOKOZUOFBIG-YYBNVSHVSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZTWZVDZFHMSV-ZRUQSULASA-N", "SMILES:O=C(/C=C/c1cccc(Br)c1)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBRQJSXDSFSJZ-RVSZZEMNSA-N", "SMILES:O=C(/C=C/c1ccccc1Br)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKJSYMMXXELTE-XMLDZNDQSA-N", "SMILES:O=C(/C=C/c1ccco1)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PETRJICRTJMLFG-XMLDZNDQSA-N", "SMILES:O=C(/C=C/c1cccs1)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAXWYKIIXJFBNI-KVGPRDHISA-N", "SMILES:O=C(/C=C/c1ccncc1)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNRAOPHWRLAPV-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CN2CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUIMDMDIRQCKV-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CN2CCOCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKMDHAUGGJHNHD-UHFFFAOYSA-N", "SMILES:CN1CCN(CN2C(=O)C(=O)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOENGJDIXPVWDI-UHFFFAOYSA-N", "SMILES:O=C1C(C(Nc2ccccc2)c2ccccc2)CCCC1C(Nc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWIIKIKGNASWOQ-UHFFFAOYSA-N", "SMILES:O=C1C(C(Nc2ccccc2)c2ccccc2[N+](=O)[O-])CCCC1C(Nc1ccccc1)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHUMAPTZQVFJO-UHFFFAOYSA-N", "SMILES:O=C1C(C(Nc2ccccc2)c2c(Cl)cccc2Cl)CCCC1C(Nc1ccccc1)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKZKDBHVVBSHPI-UHFFFAOYSA-N", "SMILES:O=C1C(C(Nc2ccccc2)c2ccc3ccccc3c2)CCCC1C(Nc1ccccc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXWCQRXNSLHPM-UHFFFAOYSA-N", "SMILES:O=C1C(C(Nc2ccccc2)c2ccc([N+](=O)[O-])cc2)CCCC1C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITYLIHBJQIGSFJ-PKOBYXMFSA-N", "SMILES:O=C1CCCC[C@@H]1[C@H](Nc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYDEHXPYJDRRM-VQIMIIECSA-N", "SMILES:O=C1CCCC[C@H]1[C@H](Nc1ccccc1)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYDEHXPYJDRRM-QFBILLFUSA-N", "SMILES:O=C1CCCC[C@@H]1[C@H](Nc1ccccc1)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVTUHLGFKFJWQM-LIRRHRJNSA-N", "SMILES:O=C1CCCC[C@@H]1[C@H](Nc1ccccc1)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVTUHLGFKFJWQM-AUUYWEPGSA-N", "SMILES:O=C1CCCC[C@H]1[C@@H](Nc1ccccc1)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYVJCSLQFBCEGR-UHFFFAOYSA-M", "SMILES:Cc1cc(C)c(C[n+]2cn(CCCN3C(=O)c4ccccc4C3=O)c3ccccc32)c(C)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWQPYJXLVFRLIF-UHFFFAOYSA-M", "SMILES:Cc1c(C)c(C)c(C[n+]2cn(Cc3cccc(C#N)c3)c3ccccc32)c(C)c1C.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUQRILVJPSRDLK-UHFFFAOYSA-N", "SMILES:Brc1ccc(NN=C2C(c3ccccc3)=NN=C2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMVSMBFEZXDBU-OCOZRVBESA-N", "SMILES:Cn1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKNBJMPNYLCFHA-OCEACIFDSA-N", "SMILES:CCn1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATJDNSDDQNOGD-QVIHXGFCSA-N", "SMILES:Brc1ccc(/N=N/c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMCNHPLMJLGGZ-QNEJGDQOSA-N", "SMILES:Cc1ccc(C)c(-n2nc(-c3ccccc3)c(/N=N/c3ccc(Br)cc3)c2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTFNAWIGYBZEX-QNEJGDQOSA-N", "SMILES:Cc1ccc(-n2nc(-c3ccccc3)c(/N=N/c3ccc(Br)cc3)c2-c2ccccc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXKLODJQWDRPHQ-NVQSTNCTSA-N", "SMILES:Brc1ccc(/N=N/c2c(-c3ccccc3)nn(-c3ccc(Br)cc3)c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPLRHBVOHUIFID-QVIHXGFCSA-N", "SMILES:O=[N+]([O-])c1ccccc1-n1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCOXNHQOGDABA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)n2[nH]c(=O)c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMBIDJYHISXNSU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)n2[nH]c(=O)c3c(F)cccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKJOPXXXYXNMR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)n2[nH]c(=O)c3cc(F)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHFYYEJDRXOQFB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)n2[nH]c(=O)c3c([N+](=O)[O-])cccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZSFXBQJSWJTK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)n2[nH]c(=O)c3cc([N+](=O)[O-])ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZPQUXUZTPEXGX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)n2[nH]c(=O)c3ccc(C(=O)O)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIXSTVGKKMIUBM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)n2[nH]c(=O)c3c(Br)c(Br)c(Br)c(Br)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYSJQZBWJLACDV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)n2[nH]c(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFZVQNQUAVBRPE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2NC(=O)c3cccc4cccc(c34)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYTFGIGMTBUUQF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2NC(=O)C3CCCCC3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORVCVMNTNZCNOK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2NC(=O)C3CC=CCC3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCNNRCNHSDCBOM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)n2[nH]c(=O)c3cc4c(=O)[nH]n(C(=O)c5ccc(S(N)(=O)=O)cc5)c(=O)c4cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVRNYVQQADIJR-JWGURIENSA-N", "SMILES:O=C1/C(=C\\c2ccc(O)c(CN3CCN(c4ccccc4)CC3)c2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUOZTIPXLPYHCG-JLPGSUDCSA-N", "SMILES:O=C1/C(=C\\c2ccc(O)c(CN3CCN(Cc4ccccc4)CC3)c2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFKJKLXJPRZJE-QNGOZBTKSA-N", "SMILES:O=C1/C(=C\\c2ccc(O)c(CN3CCN(c4ccccc4F)CC3)c2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSQHYATISCLAV-QNGOZBTKSA-N", "SMILES:O=C1/C(=C\\c2ccc(O)c(CN3CCN(c4ccc(F)cc4)CC3)c2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZYMBAJALOOUCM-JWGURIENSA-N", "SMILES:COc1ccccc1N1CCN(Cc2cc(/C=C3/Cc4ccccc4C3=O)ccc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYDYQRLHNMDRJE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1cc(O)c(O)c(Br)c1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL228910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYHDNQXPJKICE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1c(Br)c(O)c(O)c(Br)c1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5199602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCOSISPBLBDKQD-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccc(S(N)(=O)=O)cc2)nc2cc(S(N)(=O)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZBPCVPOPGJNCI-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccc(S(N)(=O)=O)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUDQFMZIMOTRLS-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccccn2)nc2cc(S(N)(=O)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSLZFAOQYIGJL-HXUWFJFHSA-N", "SMILES:CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKBWJOFBPSCCIS-UHFFFAOYSA-N", "SMILES:O=S1(=O)CC=Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGDXEZRUXLQTSE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)C=CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPJIOQROYSMZJM-UHFFFAOYSA-N", "SMILES:O=S1(=O)CC=Cc2ccc(-c3ccc(F)cc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEAWFAXANHOVPV-UHFFFAOYSA-N", "SMILES:O=S1(=O)CC=Cc2cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWCOAHRCCPFMBJ-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)C=CCS(=O)(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWFHQFQVQIXUKD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXXJZVWLYGJXOP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYAMADYYIZTRHJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWABLTCENMSAGE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQBCMKZBQOLKG-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKNVLOSELMEIT-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(S(N)(=O)=O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFNOTYMUDSZOW-GUDRVLHUSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYXABCXDLDDYMW-PGRGYFNBSA-N", "SMILES:C[C@@H]1O[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITPERIFNPZNMR-JRROOKDNSA-N", "SMILES:COC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@]1(O)S(=O)(=O)Nc1ccccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYBTRSSIVHHFN-UHFFFAOYSA-N", "SMILES:N=C(N)NS(=O)(=O)c1ccc(Nc2ccc(Nc3cccc(NC(=O)CCCl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYNJKXMVWYNPT-UHFFFAOYSA-N", "SMILES:C=CCNC(=S)Nc1cccc(Nc2ccc(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJNSHBARAMYBH-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5)ccc4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCVROOBNYZLDFN-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncc(-c3cnn(C4CCNCC4)c3)cn2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZVEUDKERINQO-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(CC3CN(c4ncc(OCC5CCNCC5)cn4)CCO3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNIMPVBSDCJTNY-UHFFFAOYSA-N", "SMILES:CC1C(=O)NN=C(Cc2ccc(F)c(C(=O)C3CC(=O)N(C4CCC4)C(C)C3)c2)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMADNUCXSKBZJT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACWRURAYMKLZIZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSRBHUCUZZEAS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(=O)[nH]n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBFOUTOUCBLYAU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3nn(-c4ccc(Cl)cc4)cc(C)c3=O)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSBHQJCBIHRNR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N3N=C(c4ccc(F)cc4)CCC3=O)n(C)c(=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFIXWKILRINCJD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2nnc(Cl)c3ccccc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQIVPDKBAHQPEF-LQKURTRISA-N", "SMILES:CN(C)c1ccc(/C=N/NC(=O)Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYHFRMRSLOWLL-UHFFFAOYSA-N", "SMILES:O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSGZUJVIIAYEIN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEPHVBQJDPPGQN-SDNWHVSQSA-N", "SMILES:O=C(/C=C/c1ccc(CCCCCCc2n[nH]c(=O)c3cc(F)ccc23)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHLQQRVPAWTHQV-UHFFFAOYSA-N", "SMILES:COC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFVXQCINKFONB-UHFFFAOYSA-N", "SMILES:COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTWHJULZPHHSLX-UHFFFAOYSA-N", "SMILES:COC1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UANLZMJREXBLIQ-UHFFFAOYSA-N", "SMILES:COC1CC(NC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHKWSTVRMZDWNZ-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2c3ccccc3nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGKHVXOCYJFODS-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKHQKYAIADDSU-PKNBQFBNSA-N", "SMILES:O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDEITYPNYDGDSZ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc2nnc(-c3cc(-c4cnn(C5CCN(CCO)CC5)c4)cnc3N)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMVANVETJQCDL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1ccc2nnc(-c3ccncc3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CALHFGIWWFKYIK-UHFFFAOYSA-N", "SMILES:S=C(NNc1nn2cnnc2c2ccccc12)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLAAQEGFJMWGAQ-UHFFFAOYSA-N", "SMILES:O=C(NNc1nn2cnnc2c2ccccc12)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDAVEIUYOBDQD-UHFFFAOYSA-N", "SMILES:O=C(NNc1nn2cnnc2c2ccccc12)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284447", "category": ["biolink:ChemicalEntity"], "name": "SUTIDIAZINE", "xref": ["InChIKey:HKPQFVAUXAZCDY-OAHLLOKOSA-N", "SMILES:Cc1nc(Nc2ncc(N3CCN(C)[C@H](C)C3)c(Nc3cc(C)n(C)n3)n2)cc(C2CC2)c1F"], "synonym": ["Sutidiazine", "Sutidiazine", "Sutidiazina", "Mmv-253", "Zy-19489", "MMV253", "ZY19489"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKRCTZCBMKVHCK-RTOKGZNSSA-N", "SMILES:COc1ccc(NC(=O)N2CCCCN3[C@H](CN(C)C)[C@H](c4ccc(C#Cc5ccccc5)cc4)[C@@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058833", "category": ["biolink:ChemicalEntity"], "name": "GANAPLACIDE", "xref": ["InChIKey:BUPRVECGWBHCQV-UHFFFAOYSA-N", "SMILES:CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n2CCN1C(=O)CN"], "synonym": ["Ganaplacide", "Ganaplacida", "Ganaplacide", "Kaf156", "GNF 156", "GNF-156", "KAF 156", "KAF-156", "KAF156"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICXMQAHOBLCOFO-MQYSCIAUSA-N", "SMILES:C=C[C@@]1(C)CC[C@H]2C(C=C[C@H]3[C@H](CO)CC(=O)C[C@]23C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2373416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABEFPCRGBOFMDC-XYGDRSAOSA-N", "SMILES:C/C1=C\\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5209111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBNNNXGNLUSDK-ZJINASCKSA-N", "SMILES:C[C@@H]1CC=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@@]1(C)[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5203145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLGDFSBCUIFXDS-MIVADNKTSA-N", "SMILES:C=C1C2=CC[C@@H](C)[C@]1(C)CC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5182952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTBSUBYHIWUOSH-KQAVADFOSA-N", "SMILES:C[C@@H]1CC=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@@]1(C)[C@@]2(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5180736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHAWWDDTQXGUMU-BNLMANDVSA-N", "SMILES:C/C1=C\\CC[C@@H]2O[C@H]2C(=O)C2=CC[C@@H](C)[C@@](C)(C[C@@H]1O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNUNSIBVLOFFKG-AQGIFOHRSA-N", "SMILES:C[C@@H]1[C@@H](O)C=C2C(=O)[C@H]3O[C@@]3(C)CCC[C@H]3O[C@@]3(C)C[C@]1(C)[C@@]2(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUMDVIDVZJEJOH-FCVDMMQZSA-N", "SMILES:C=C1C2=CC[C@@H](C)[C@@]1(C)CC/C(C)=C/CC[C@H]1O[C@@H]1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOQOKYIPJPDKP-LQAIXYHKSA-N", "SMILES:CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(CO)CC4=C(C(=O)O)CC[C@H]4[C@]4(C)C[C@@H]4[C@H]3[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5194876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVAZJBOQPDZZAZ-JOSQFXLQSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@]2(C)Oc3cc(C)oc(=O)c3C[C@@H]2[C@@]2(C)C=CC(=O)C(C)(C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5178243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPWZGPBWXQYPSN-HGIHGATESA-N", "SMILES:CC(C)(O)[C@H]1OC2CC[C@@]3(C)[C@@](O)(CC[C@H]4C[C@]5(OCNc6ccccc65)C(=O)[C@@]43C)C2=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5177685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZADURMHLAAAV-KWJMJWPUSA-N", "SMILES:CC1(C)Oc2c(nc3c4c2C(=O)CC[C@]4(C)[C@@]2(C)c4[nH]c5ccccc5c4C[C@@H]2C3)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5192811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKJCLWNIOFTRBB-RPYMSGKASA-N", "SMILES:COC(=O)[C@@]12C(=O)[C@](C)(O)C(=O)[C@@H](C(C)=C1C)C1[C@]2(C)C[C@@H]2OC(=O)[C@]13CC[C@H](OC(C)=O)C(C)(C)[C@@H]23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5192066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFADFPJLWIVNS-OIYRLCAMSA-N", "SMILES:COC(=O)[C@@]12C(=O)[C@@](C)(O)[C@]1(C)C(C)=C[C@H]1[C@]34CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@H](C[C@@]12C)OC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5181794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCLHWXMMWGXNNX-HJTPSZCXSA-N", "SMILES:COC(=O)[C@]12[C@](C)(C(=O)[C@@]1(C)O)C(C)=C[C@H]1[C@]34CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@H](C[C@@]12C)OC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4083094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXSSGUJRSBRDD-YPMHNXCESA-N", "SMILES:C=CC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4116419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWGLSOLCHTTHP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4117175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLLQSOROVXWYRC-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFBKRAWAGNCMP-DEOSSOPVSA-N", "SMILES:Cn1c2c(cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c1=O)-c1cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c1C[C@H](O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3352876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXMNRJCRDHRBQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBLOIDJWKXDON-BELIEFIBSA-N", "SMILES:CC(C)[C@H]1Cc2cc(F)ccc2S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDOWJUPBHLXIH-GOEBONIOSA-N", "SMILES:C[C@H]1c2cccc(-c3cnn(C)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTKPERCIOSBVNI-DZGCQCFKSA-N", "SMILES:C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYXGUZDGIAJZJN-DOTOQJQBSA-N", "SMILES:CCn1cc(-c2cccc3c2C[C@H](CO)N(C(=O)Cc2c(Cl)cccc2Cl)[C@H]3C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQHLJRFATXYPS-MAUKXSAKSA-N", "SMILES:C[C@H]1c2cccc(-c3cnn(C4CC4)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYDFMYIIATRPY-DOTOQJQBSA-N", "SMILES:C[C@H]1c2cccc(-c3cnn(C4COC4)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWDIICDIOIJDNV-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncccc5c4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPVQJIWQOAKGR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4ncccc4c3)cc2)n(-c2ccc3ncccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQLPYKLAJLXMV-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQLDULIEUKHCJI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4cccnc4c3)cc2)n(-c2ccc3ncccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIXANSQHENONFN-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncncc5c4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZSXRPCZRQJQFY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4ncncc4c3)cc2)n(-c2ccc3ncccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFCQSNTRJJDCY-JXMROGBWSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNGVMERLTTVLQP-UKPAFZAXSA-N", "SMILES:CN1CCN(C(C)(C)/C=C(\\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWDQRDLDOJCJH-ICFXLVBESA-N", "SMILES:CN(C)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOLQFDTXCZDBI-YWXUCKCNSA-N", "SMILES:CC(C)(N)/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFRDFRBBMJVMK-UMSHPIDHSA-N", "SMILES:CC1(/C=C(\\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCGPRKNSMUGCDI-IAERKFLBSA-N", "SMILES:CC(C)(/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114766", "category": ["biolink:ChemicalEntity"], "name": "ATUZABRUTINIB", "xref": ["InChIKey:KZMQPYCXSAGLTB-ZWUNQBBJSA-N", "SMILES:CC(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1"], "synonym": ["Atuzabrutinib", "PRN-473", "PRN473", "SAR-444727", "SAR444727", "Atuzabrutinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HILYOOWWARCXQC-UMSHPIDHSA-N", "SMILES:N#C/C(=C\\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWODFMKTYXDDTQ-SZLZGVTBSA-N", "SMILES:CC(C)/C=C(\\C#N)C(=O)N[C@@H](C)Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWODFMKTYXDDTQ-AUUUKSDWSA-N", "SMILES:CC(C)/C=C(\\C#N)C(=O)N[C@H](C)Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVKXBKYPQSOGFU-LDADJPATSA-N", "SMILES:CC(C)/C=C(\\C#N)C(=O)N1CCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWLUHOLQXKEKBV-VXLYETTFSA-N", "SMILES:CC(C)/C=C(\\C#N)C(=O)N1CC(Cn2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXEUQEMBQKIUER-ACSPXDACSA-N", "SMILES:CC(C)/C=C(\\C#N)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESYWHDYQFWATR-QRRJMBGHSA-N", "SMILES:CC(C)/C=C(/C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESYWHDYQFWATR-DTBYZMGXSA-N", "SMILES:CC(C)/C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEUQAIWVYRNFIH-ZUCHBTRJSA-N", "SMILES:C[C@@H]1CN(C(C)(C)/C=C(\\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXEUQEMBQKIUER-UMSHPIDHSA-N", "SMILES:CC(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYLMVBZZOSOHLD-OEZHIIBRSA-N", "SMILES:CC(C)(/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLRCXYMHHEMSN-QRRJMBGHSA-N", "SMILES:N#C/C(=C/C1CC1)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDLULCUHFGKSRR-RMWKRFJVSA-N", "SMILES:CC(C)(C)/C=C(/C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDJHMBKQEPOZBR-GDLUXTLDSA-N", "SMILES:CC(C)(N)/C=C(/C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZIQNLGMMJGSQU-MUGAAPJKSA-N", "SMILES:CC(C)(/C=C(/C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXITWGZZVLXPJ-OEZHIIBRSA-N", "SMILES:CC(C)(/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGXVGVKVFFHVGS-YHBLIXGUSA-N", "SMILES:CN1CCN(C(C)(C)/C=C(\\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIIHGHCCCVHHLX-QEQIRTOISA-N", "SMILES:CC(C)(/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCNC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQFLKPQSHYTFGH-UKPAFZAXSA-N", "SMILES:COC(=O)N1CCN(C(C)(C)/C=C(\\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLPIYCASFDJXFO-FLXPQLCOSA-N", "SMILES:CC(=O)N1CCN(C(C)(C)/C=C(\\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIWYNDTGRBYQF-XFQLKDJXSA-N", "SMILES:C[C@@H]1CN(C(C)(C)/C=C(\\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)C[C@H](C)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIYAGZIDNIWGFF-KTTQDFBCSA-N", "SMILES:COCCN1CCN(C(C)(C)/C=C(\\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFFREMLXLZNHE-GRBCXPRBSA-N", "SMILES:CC(C)(/C=C(\\C#N)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370753", "category": ["biolink:ChemicalEntity"], "name": "OPIPRAMOL", "xref": ["InChIKey:YNZFUWZUGRBMHL-UHFFFAOYSA-N", "SMILES:OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1"], "synonym": ["Opipramol", "Opipramol", "Opipramol", "Opipramol", "Opipramol", "Opipramol dura", "NSC-169867"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5201189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPNWQIDNWGAEB-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cc[nH]n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLCVDQHLYHBAHR-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSTIRJHBTZBFIS-UHFFFAOYSA-N", "SMILES:OB1c2sccc2C=NN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQCGOVKSYFGMTG-AUEPDCJTSA-N", "SMILES:CCS(=O)(=O)N1N=Cc2ccc(Oc3ccc(C(F)(F)F)cc3/C=N/O)cc2B1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHGTVLYXFAOIG-LSFURLLWSA-N", "SMILES:CS(=O)(=O)N1N=Cc2ccc(Oc3ccc(C(F)(F)F)cc3/C=N/O)cc2B1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXNGLXWGDVNKQP-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1nc(-c2cccnc2)cs1)c1ccc(OCB2C=Cc3ccccc3N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKFYQLQUQJGLMV-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(B2C=CC=CN2)cc1)Nc1cc(C2CC2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXDUCEZSXPKKPH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3c(c2)B(O)OC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIUFOQRGPOVIHK-UHFFFAOYSA-N", "SMILES:CC(C)OCCOc1ncc(Oc2ccc3c(c2)B(O)OC3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEDWBQZCRESJL-DEDYPNTBSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)c2ccccc2Oc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDLGRHJAGOPII-UHFFFAOYSA-N", "SMILES:On1ncc2cc(CCc3nn[nH]n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLGKYJIOWULMN-QMOZSOIISA-N", "SMILES:O=C(O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQIFHLBPBLRRM-QPJJXVBHSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNJBYGFPRLQHH-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGRAIAQIAUZAQ-UHFFFAOYSA-N", "SMILES:Cn1ncnc2c(=O)n(C)c(=O)nc1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2018623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDLFZAHWZYRLO-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(N(C)C)nc(NCc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSFJLRNXNPXRS-UHFFFAOYSA-N", "SMILES:c1ccc(CCNc2nc(N3CCCCC3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZNZJKNJGSOWPM-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1nc2ccccc2nc1C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNKUFRCBOLPKJ-UHFFFAOYSA-N", "SMILES:Fc1ccc2nc(OCCN3CCCC3)c(C#Cc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCYSKNELCOPKJ-UHFFFAOYSA-N", "SMILES:O=C(CN1C2=NCCN2c2ccccc21)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVBBXLSCRWJFHQ-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2219842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKRSYEPBQPFNRB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Oc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5190932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMIBUKVMZYTELT-QRVIBDJDSA-N", "SMILES:Cc1cc(Cl)ccc1/N=C\\c1ccc(F)c(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBJNKIGKWHXRGD-DHZHZOJOSA-N", "SMILES:COc1cccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWARRBNHGPIIKB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPFLMJBXADQZST-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLKZPOGIRAFRH-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c2ccccc2c2nc3nonc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4598380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJCFZKBYJYTCH-FTJBHMTQSA-N", "SMILES:O=C(Nc1ccc(O[C@H]2CCNC2)c(-c2ccc(F)cc2)c1)c1ccc(O[C@@H]2CCNC2)c(-c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVKBYFCJQSPBOI-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5173483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALWZHAOGGMSYPG-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2nc3cc(F)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AABFWJDLCCDJJN-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(-c4cccc5ccccc45)nccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPILVGKCQHGLG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGAZLNHJYDOWLG-QWRGUYRKSA-N", "SMILES:COc1c(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(=O)c4c(O)cc5c(c6c(cc(O)c(c1=O)c62)OCO5)c43"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5184078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWUCHWXKYDPQE-YSYXNDDBSA-N", "SMILES:CC1=C(N2CCC(C3CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYEGYOCBCGKMJZ-KKSFZXQISA-N", "SMILES:CC1=C(N2CCC3(CCN([C@@H](C)[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZUIDBPFSMRNIK-HXUWFJFHSA-N", "SMILES:Cc1c([C@H](O)CN2CCC3(CC2)CCN(C2=C(F)C(=O)OC2)CC3)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTHWHVWPCCJFIS-UHFFFAOYSA-N", "SMILES:CC(C)CNC1=C(Cl)C(=O)OC1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKGPTCTZBCYBG-UHFFFAOYSA-N", "SMILES:C#CCOC1OC(=O)C(Cl)=C1N(CC(C)C)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCXSPYUKSCKHU-UHFFFAOYSA-N", "SMILES:NCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCNC(=O)C3)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLYYVFXMGAFHAI-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCF)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGNAIOOAINEET-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)nn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXVBAKBDKMEJNJ-NDEPHWFRSA-N", "SMILES:CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLLYXXXOJUNCV-UHFFFAOYSA-L", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCKRRHRHLONWIP-SANMLTNESA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL435402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMZTKAZJUWXCB-KQYNXXCUSA-N", "SMILES:CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLXYQBAVUMCRTE-YGRSRNGWSA-N", "SMILES:[3H]C([3H])C([3H])([3H])CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMVSRSFSAAYCY-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJZETNQEFBEII-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYXRGWXSMMTXFJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPVNRZKUSRCPHU-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZEFVMGFILSDOW-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUPHTCREDOBCB-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEAIYOEQJYJOG-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUOYSAAIQMEWCB-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRTXVPCMZIRCX-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXWUDLJQLLEBPX-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTTXCTTXQLCPNH-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCC(=O)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEYAOAXHGORBRY-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCC(=O)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLNTCDWZVFSBY-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCCC(=O)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMMTIZGCZXGDF-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFUHCUJICCLEK-SRTKAIALSA-N", "SMILES:COP(=O)(O)O[C@@H]1[C@@H](NC(=O)c2ccc(C)cc2)[C@@H](O)[C@@H](CO)O[C@H]1SC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDAWZVIHHBVHNS-QWPXSNKBSA-N", "SMILES:CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OP(=O)(O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKUZEDXGDACXNS-UHFFFAOYSA-N", "SMILES:CN(C)CCc1ccc2nc3c4ccccc4n(CCN(C)C)c3cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOXPVNACWPVATF-UHFFFAOYSA-N", "SMILES:c1cc2nc3c(cc2cc1CCCN1CCCC1)[nH]c1ccc(CCCN2CCCC2)cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2260298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENNTGMAZAZSJZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc2ccccc2c2[nH]c3c4cc([N+](=O)[O-])ccc4ccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1187140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFEIUMFDMLPLHS-UHFFFAOYSA-O", "SMILES:CN(C)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYEIRPIIHGYZAD-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc3c([nH]c4c5ccccc5nc(NCCCN(C)C)c34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDEUZHXVKFARAU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(ccc3c2[nH]c2c4ccccc4nc(NCCCN(C)C)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATGWFARLHAZDB-UHFFFAOYSA-O", "SMILES:C[n+]1c2ccccc2c(NCC(N)=O)c2oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOZUGFKUBWPYAC-UHFFFAOYSA-O", "SMILES:C[n+]1c2ccccc2c(NCC(=O)CNC(=O)CN)c2oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNWYDIZVZXTKCI-SFHVURJKSA-O", "SMILES:C[n+]1c2ccccc2c(NCC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)c2oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOGSTPPFGJXADK-QFIPXVFZSA-O", "SMILES:C[n+]1c2ccccc2c(NCC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)c2oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRLATRJXRHNJOE-IBGZPJMESA-O", "SMILES:C[n+]1c2ccccc2c(NCC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)c2oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCONLZCFNMHAPT-IBGZPJMESA-O", "SMILES:C[n+]1c2ccccc2c(NCC(=O)CNC(=O)[C@@H](N)CCCCN)c2oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXJWCTOVXFBMSN-SFHVURJKSA-O", "SMILES:C[n+]1c2ccccc2c(NCC(=O)[C@@H](N)CCCCNC(=O)CN)c2oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNUQEJNSHMMBRZ-FQEVSTJZSA-O", "SMILES:C[n+]1c2ccccc2c(NCC(=O)[C@@H](N)Cc2ccccc2)c2oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKDXSLWLKSZELD-KRWDZBQOSA-O", "SMILES:C[n+]1c2ccccc2c(NCC(=O)[C@@H](N)Cc2cnc[nH]2)c2oc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMJSYMGTTYKTD-RDYGGXDKSA-N", "SMILES:CC(=O)N1N=C(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKZBNRBGLSUQX-YPZLOKHQSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccn(-c4ccc(Cl)cc4)n3)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOVXPCGFUIXNNU-WNPREPMYSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=C(C=O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZZMPJXVPDYGL-FFHPPBJFSA-N", "SMILES:C[C@]12CC[C@H](OC(=O)C3CC3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=C(C=O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMGHKRONYKIFAY-XTRSVXKLSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)c2ccccn2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGCICGKKZGWBI-IOTHWIAFSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CULDJZYKJLBKTD-FQEVSTJZSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)c1N(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUYJCXUHALSHPN-FQEVSTJZSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)c1N(C)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGXWTWURQHYGC-NRFANRHFSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)c1N(CC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVQZRCATVCBPA-QFIPXVFZSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)c1N(c1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCFNGXXTLZYSDV-NRFANRHFSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)c1N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGXWTWURQHYGC-OAQYLSRUSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c(O)c1N(CC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQJRGFZMQKIQZ-UHFFFAOYSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)c(O)c1N(CC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTHXBGKOCBEBDD-UHFFFAOYSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CCC(c3ccccc3F)C2)c(O)c1N(CC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUQMOECMEDEDNO-UHFFFAOYSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CCC(c3ccc(Cl)cn3)C2)c(O)c1N(CC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGMUISOOSRJCSC-UHFFFAOYSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CCC(c3ncc(Cl)cc3F)C2)c(O)c1N(CC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFQHJHOGBFOPRW-UHFFFAOYSA-N", "SMILES:CCCCc1nc(O)c(C(=O)N2CCC(c3ncc(F)cc3F)C2)c(O)c1N(CC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLKGZJXHGWNRP-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)c1c(CC2CC2)nc(O)c(C(=O)N2CCC(c3ncc(F)cc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPUBRQORIWZCMI-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)c1c(-c2cccc(C)c2)nc(O)c(C(=O)N2CCC(c3ncc(F)cc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRYVYZHEAMSLAW-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)c1c(-c2ccn(C)n2)nc(O)c(C(=O)N2CCC(c3ncc(F)cc3F)C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYTRYTZFJVVZAF-UHFFFAOYSA-N", "SMILES:NC1Cc2ccccc2N(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQTJGZYAFKMABR-UHFFFAOYSA-N", "SMILES:NNc1nnc(Cl)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRGNBTVTHPFJM-UHFFFAOYSA-N", "SMILES:NNc1cccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAHWCROWFXOMDG-MSXFZWOLSA-N", "SMILES:CC(C)=CCc1cc(/C=C2\\OC(=O)C(c3cc(CC=C(C)C)c(O)cc3O)=C2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5170907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDYHAWYVIBCDT-OYKKKHCWSA-N", "SMILES:CC(C)=CCc1cc(/C=C2\\OC(=O)C(c3ccc(O)c(CC=C(C)C)c3)=C2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5172960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLFRKNXWOGKJJ-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCCC12CCN(C13CC4CC(CC(C4)C1)C3)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXHTWSAZICHZOJ-UHFFFAOYSA-N", "SMILES:O=C1N(C23CC4CC(CC(C4)C2)C3)CCC12CCCN2CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLKLSNQUTIOFTB-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCCCC2)CCC12CCCN2CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIZGOKDUONESA-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCCCC2)CCC12CCCN2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWSFXANNESMNLG-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCCCC2)CCC12CCCN2CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBKSMXSUVFOSX-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCCCC2)CCC12CCCN2Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVMJEOFHCAGLTF-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCCCC2)CCC12CCCN2Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMDELJQHCENIG-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCCCC2)CCC12CCCN2Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKOVYVMIDSZKK-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCCCC2)CCC12CCCN2Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTVBOYUIMMFGV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCCC23CCN(C2CCCCC2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZIXKHVFMLMEBG-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCCCC2)CCC12CCCN2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMUMVXHCBXGEKL-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCCC2)CCC12CCCN2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSOBDQHHIJERPG-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCCCCC2)CCC12CCCN2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTDYESVXLKCLX-UHFFFAOYSA-N", "SMILES:O=C1N(C2CCOCC2)CCC12CCCN2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLNAJHWPAMVMR-RSBROLRWSA-N", "SMILES:O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCCN2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPBIWQJQASYPA-UHFFFAOYSA-N", "SMILES:O=C1N(c2ccccc2Cl)CCC12CCCN2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYICFQFUTOHKAU-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(-c2ccc(CN3CCCC34CCN(C3CCCCC3)C4=O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRACTJNWALOQM-QSVWIEALSA-N", "SMILES:O=C1N(C2CCCCC2)CCC12C[C@@H](O)CN2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRACTJNWALOQM-QUCCMNQESA-N", "SMILES:O=C1N(C2CCCCC2)CC[C@]12C[C@@H](O)CN2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHXQQRCALBVBC-ZFWWWQNUSA-N", "SMILES:CCN1C[C@@H](O)C[C@]12CCN(C1CCCCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFLQJWSAVRVOAN-KCWPFWIISA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQVNVBLFPXQFEG-PXNSSMCTSA-N", "SMILES:O=C1N(C2CCCCC2)CC[C@]12C[C@H](F)CN2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUROINPGBJKQH-CUNXSJBXSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(CN3C[C@@H](F)C[C@]34CCN(C3CCCCC3)C4=O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEIQKKDDRJNTDS-LBAQZLPGSA-N", "SMILES:CC1(O)CN(Cc2ccc(Cl)cc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWOSZNYWJZBQJ-AEFFLSMTSA-N", "SMILES:O=C1N(C2CCCCC2)CC[C@]12C[C@@H](O)CN2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWYZUFIWDBMSF-MJGOQNOKSA-N", "SMILES:O=C1N(C2CCCCC2)CC[C@]12C[C@@H](O)CN2CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVGFVCWRYFXGM-QUCCMNQESA-N", "SMILES:O=C1N(C2CCCCC2)CC[C@]12C[C@@H](O)CN2CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQZVHDRJRCOJG-MDFYDDKXSA-N", "SMILES:CC(C1CCCCC1)N1C[C@H](O)C[C@]12CCN(C1CCCCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZADRWDRZZMSJGR-VNTLTUIWSA-N", "SMILES:CC(C1CCC1)N1C[C@H](O)C[C@]12CCN(C1CCCCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYOYBUKTDFRPO-LLJXTTFASA-N", "SMILES:CC(C1CC1)N1C[C@H](O)C[C@]12CCN(C1CCCCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QERRLWXEWSSHST-RSXGOPAZSA-N", "SMILES:N#Cc1ccc(-c2ccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYFADOZOPNVKM-BVAGGSTKSA-N", "SMILES:N#Cc1ccc(-c2ccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURHEBCFCJWTNG-BVAGGSTKSA-N", "SMILES:N#Cc1cccc(-c2ccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONDFPMZDUEEPA-RDGATRHJSA-N", "SMILES:O=C1N(C2CCCCC2)CC[C@]12C[C@@H](O)CN2Cc1ccc(-c2ccc(F)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBPDGHDLZZGMSQ-NOZRDPDXSA-N", "SMILES:O=C1N(C2CCCCC2)CC[C@]12C[C@@H](O)CN2Cc1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLDMPYXNGNYHQ-BVAGGSTKSA-N", "SMILES:N#Cc1ccnc(-c2ccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBMLYAQPMHOADJ-RSXGOPAZSA-N", "SMILES:N#Cc1cncc(-c2ccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOYJYFXUPBBKL-YWEHKCAJSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2ccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPKCOCVSZVUCJ-AMGIVPHBSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)c(F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMCSSVPQDRJAY-ZBLYBZFDSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHCJHBCCHFTXFX-BTYSJIOQSA-N", "SMILES:CC(C)NC(=O)c1ccc(-c2ccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJEOQOFMQRUKFW-YWEHKCAJSA-N", "SMILES:CCNC(=O)c1ccc(-c2cccc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZAXHDAKRRCDZ-DFHRPNOPSA-N", "SMILES:CCNC(=O)c1ccc(-c2cc(CN3C[C@H](O)C[C@]34CCN(C3CCCCC3)C4=O)ccc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDKYDQMMLSTRD-UHFFFAOYSA-N", "SMILES:O=C1N(C23CC4CC(CC(C4)C2)C3)CCC12CCCN2Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRACTJNWALOQM-AZUAARDMSA-N", "SMILES:O=C1N(C2CCCCC2)CC[C@@]12C[C@H](O)CN2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRCWEICXMGION-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLGVAOSWKFVQJH-UHFFFAOYSA-N", "SMILES:O=C1OC2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEJIREUKMAPHHU-WRUMOOJNSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOKTWSWWFSZCM-CQSZACIVSA-N", "SMILES:CC(C)CN1CCC[C@@H]1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVUTUSXMQLXVAE-GUGPMROZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRARYABZGJHTRV-QKIITFELSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@](C)(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCRMPKKNCYTAAU-RPNSJRBHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@](C)(NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)O)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYHHQWPEGPFBW-IAVNFUQZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)CN)CSC/C=C\\CSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSOTCAUEZKCMR-JNDLGXLNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CN)CSC/C=C\\CSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTPRUYZLOETSJ-TWJOJJKGSA-N", "SMILES:COC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cc1cc2cc(Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXVSHQBEMJQNCX-UHFFFAOYSA-N", "SMILES:CCc1ccc(OCc2nnc(SC3CCCC3=O)n2C(C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVCYMJQSIAKJTE-MCCSDKBOSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)CCNC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQODFISLVFELAO-IXWNKEKESA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CS/C=C/CCSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)NCCC(=O)N[C@@H](C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUMXVXKFXZHDQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NC(=O)c2ccc[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIJWVRAGUILXFR-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(Nc2ccc(C(=O)O)cc2)c2c(=O)[nH]ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANISOPLQDSXPI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(-c2c(F)cccc2F)nc1Nc1ccc(CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWWMYAPYXYIJF-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Cc2ccc(Nc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFYNJLYKBBVUBR-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)nc(Nc3ccc(CC(=O)N4CCOCC4)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRJOXBSULSBNJU-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)nc(Nc3ccc(CC(=O)N4CCN(CC(F)F)CC4)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLMBEXJVJAWLIX-UHFFFAOYSA-N", "SMILES:CCNC(=O)Cc1ccc(Nc2nc(-c3c(F)cccc3F)nc3c2C(=O)NC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDOBSVBMUCTXKO-UHFFFAOYSA-N", "SMILES:CCNC(=O)C(C)(O)c1ccc(Nc2nc(-c3c(F)cccc3F)nc3c2C(=O)NC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLXXWNWVARCDMA-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)nc(Nc3ccc(C4CCNC4=O)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOMAPNJTWLGJDI-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)nc(Nc3ccc(C4CCCNC4=O)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNEHNWQLUIOPIY-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3c(F)cccc3F)nc3c2C(=O)NC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDBXBFGDCXCBAX-UHFFFAOYSA-N", "SMILES:CCNC(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMKDBZSWCAEANI-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEMLAJCOGNIHCJ-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIYWMLDORJQIMA-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(C(=O)N4CCCC4)cn3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZVSYSRODCTRH-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(N4CCOCC4)cn3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDFURBNMPAMJT-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(N4CCOCC4=O)cn3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKWMCUZWIEQHE-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(N4CCC(O)CC4)cn3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTOZFPJBOXLHFW-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(N4CCC(F)(F)CC4)cn3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTKWAGKBLDFOE-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(C(=O)N4CCOCC4)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQULQVGPLLDCQB-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)NC3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQHUJZVVLFBDLU-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(Nc2cc(-c3c(F)cccc3C#N)nc3c2C(=O)NC3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHSNGORAXNFMW-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(F)c1-c1cc(Nc2ccc(N3CCOCC3)cn2)c2c(n1)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEOSMOXXYGCQLD-UHFFFAOYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(C(=O)N4CCCC4)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIRGEZVLHMAHMJ-HNNXBMFYSA-N", "SMILES:O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc(C(=O)N4CC[C@H](O)C4)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENWMYDRHJTEPC-FSJBWODESA-N", "SMILES:Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMBTUYVRUUMMIA-SSDVNMTOSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMDNFGDSZVRGU-VIZOYTHASA-N", "SMILES:O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFVKPPWNEHMWOF-FBHDLOMBSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)OC(C(=O)N/N=C\\c1ccc(O)cc1O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCKZOBDZEKPXED-MYKKPKGFSA-N", "SMILES:CCOc1cc(/C=N\\NC(=O)C2COc3ccc(C(C)(C)C)cc3O2)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXSSZKRXGPRYBB-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Br)cc1CN1CCN(C(=O)C2COc3ccccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWMCBRMMSYMAEW-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)C2COc3ccccc3O2)CC1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZCAMSUEMBIPA-UHFFFAOYSA-N", "SMILES:O=C(C1COc2ccccc2O1)N1CCN(Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKAKTSTYDINARL-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDHRBELJKIEBNE-UHFFFAOYSA-N", "SMILES:O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1343907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWVGZOKRMVKPY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBBXNQFENZZCEG-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZLVGEPILZQZCE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2ccccc2c1)NCC1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3191785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXXCSADSBHOBJ-SSDVNMTOSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)C3COc4ccccc4O3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSWAUOLMMAJYBP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPBVUMWZASNQT-UHFFFAOYSA-N", "SMILES:Cc1cc2occ(CC(=O)NCC3COc4ccccc4O3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBRBIHZXUHPAW-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2[nH]ccc2c1)NCC1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CALOIORLZPQHQM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2ncccc2c1)NCC1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUKDZJLQHTCMK-UHFFFAOYSA-N", "SMILES:CCc1ccc(CC(=O)NCC2COc3ccccc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBWBGRPIBUDPEK-UHFFFAOYSA-N", "SMILES:Cc1cc(O)ccc1CC(=O)NCC1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFLNEIVYXNYHQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)NCC1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQISKIXXNULAI-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(-c2ccccc2)cc1)NCC1COc2ccccc2O1"]}
{"name": "Aurora kinase A-A", "xref": ["CHEMBL.TARGET:CHEMBL5169182"], "id": "UniProtKB:Q91820", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8355"]}
{"name": "Aurora kinase B-B", "xref": ["CHEMBL.TARGET:CHEMBL3638361"], "id": "UniProtKB:Q6GPL3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:8355"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOQUVLJOFUKMGN-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ncccn2)cn1)c1cc(F)c(-c2ccc(F)c(OC(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMVNRUIGOXROO-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2cccnn2)cn1)c1cc(F)c(-c2ccc(F)c(OC(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKXOBOEJFTCKO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(Cl)c(C)c2)ccc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSTUIKKMUOIOD-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1ccc(-c2ccc(Cl)c(C)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJGSVPBSQSJIEE-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2cccc(C(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOPREVPLYQFHHZ-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2ccc(F)c(C(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKVPVLKPHPIKOM-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2cc(OC)cc(C(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPFLYJAQNHZHN-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2cccc(OCC(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NULIIDPESNDISC-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ncccn2)cn1)c1cc(Cl)c(-c2ccc(F)c(OC(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOABYMBLTSLHBH-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ncccn2)cn1)c1cc(F)c(-c2cccc(C(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJACUHDDIFTNU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(F)c2)c(Cl)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKPHMXALYXDSIQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(F)c2)c(F)cc1-n1c(=O)ncc2cc(S(=O)(=O)Nc3ccon3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJERABJXLUPTTP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(Cl)c(C#N)c2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHEBJWGMBDJOND-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(Cl)c(C)c2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTRCOQJTXRHNGC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(Cl)c(C)c2)ccc1N(C(C)=O)c1ccc(S(=O)(=O)Nc2ccon2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFJJUJBDSFKUPD-UHFFFAOYSA-N", "SMILES:COC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2cccc(C(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBQUOABWGSJKLF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(C(F)(F)F)c2)c(Cl)cc1N(C(N)=O)c1ccc(S(=O)(=O)Nc2ccon2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLIJXJNARHWBK-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cc1)c1ccc(-c2ccc(Cl)c(C)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBAQBLXKXIFLAI-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2ccc(C(F)(F)F)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHOWXVBOSLJPQY-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2cc(F)c(F)c(F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDVMRDIRSAKNT-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2ccc(Cl)c(C#N)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXKOAFZMDPOIEO-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2ccnc(C(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMUYSVIHVLSLP-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2cc(OC)nc(C(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHEZYLNMOXZJHY-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2ccc(F)c(OCC(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLDBSCWZMGMQE-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(F)c(-c2ccc(F)c(OC(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIEXOKNBGMYINU-UHFFFAOYSA-N", "SMILES:CNC(=O)N(c1ccc(S(=O)(=O)Nc2ncccn2)cn1)c1cc(F)c(-c2ccc(F)c(C(F)(F)F)c2)cc1OC"]}
{"name": "Serine/arginine-rich splicing factor 6", "xref": ["CHEMBL.TARGET:CHEMBL5169149"], "id": "UniProtKB:Q13247", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJCGSPAPOTTSF-VURMDHGXSA-N", "SMILES:CCOC(=O)c1c(/C(C#N)=C\\N)c2ccc(Cl)c(Cl)c2n1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5202010", "category": ["biolink:ChemicalEntity"], "name": "ROGOCEKIB", "xref": ["InChIKey:OENNTZBJPRRGFL-SNVBAGLBSA-N", "SMILES:COc1ncnn2ccc(-c3cnc4nc(C)n(Cc5nnc([C@@H](C)F)o5)c4c3)c12"], "synonym": ["Rogocekib", "Rogocekib", "Rogocekib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLJWQWRTLHKGO-UHFFFAOYSA-N", "SMILES:O=C(Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)CC2)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4283751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRHRWVRWLAIBGN-POHAHGRESA-N", "SMILES:N=C1NC(=O)/C(=C/c2ccc3c(c2)CCO3)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZCPNRVICXFZJR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURLRACCOCGFDB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccccn2)CC1)c1ccc(-c2ccncc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKWEBMGDALHPN-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1-c1cccc(S(=O)(=O)F)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLIMXLDTJFWHR-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(-c3ccncc3)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAPARGBKJNWVFK-UHFFFAOYSA-N", "SMILES:C.O=c1oc2cc(O)ccc2c2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJTBUWMKUOLMNM-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c2c1[nH]c1ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CILGVAIRQUNMLT-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3[nH]ncc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDQWTUXLYQBNLU-XKPGHWPRSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWPQFPLQGDVXNM-GIYDNNGJSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccc(C(=O)N4CCCC4)cc3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXDIYXXVBXYGK-VVVONTASSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVESVMLUNJTASI-GIYDNNGJSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELJJOHYBVTTPS-VVVONTASSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCOCC4)c3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOLDIOOXUGVOE-BBNYVJOESA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccc(F)c(C(=O)N4CCCC4)c3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCZBKGQUWJLMF-BBNYVJOESA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cc(F)cc(C(=O)N4CCCC4)c3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHVSHQBAWJTOD-BBNYVJOESA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cc(C(=O)N4CCCC4)ccc3F)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQDYXFPLPPDAJ-YYHRSGEDSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCC(F)C4)c3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPRGESKHQMKMRQ-SPLQCWDRSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccnc(N4CCCC4)c3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVFFEFVWSBXLCW-SPLQCWDRSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccnc(N4CCOCC4)c3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGZKMFWQFIANG-VVVONTASSA-N", "SMILES:CN1CCN(c2cc(Nc3nc(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)c4sccc4n3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJACHIZYYDZQX-BBNYVJOESA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cc(F)cc(N4CCOCC4)c3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMOOTBVBYYUDX-UGCQDJOBSA-N", "SMILES:CN1CCN(c2cc(F)cc(Nc3nc(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)c4sccc4n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRSYGQRFJKOPGN-BBNYVJOESA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccc(F)c(N4CCOCC4)c3)nc3ccsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWYIYXIOCVWBW-UGCQDJOBSA-N", "SMILES:CN1CCN(c2cc(Nc3nc(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)c4sccc4n3)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHJXGEMYQQDYJP-DLBZAZTESA-N", "SMILES:NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2cccc(C(=O)N3CCCC3)c2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMIYIRGDAKWGP-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1Nc1nc(Nc2cccc(C(=O)N3CCCC3)c2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOPANRFDKHOEH-KIQAUYDNSA-N", "SMILES:O=C(c1cccc(Nc2nc(NC3C[C@@H]4CC[C@H]3C4)c3sccc3n2)c1)N1CCC(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAAUYODXIXNOFM-VVVONTASSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc3ccoc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBYFTEQMYYKIPS-VVVONTASSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc3[nH]ccc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUIZRTXUQKGOF-QMKUDKLTSA-N", "SMILES:Cc1c[nH]c2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSVFTOQMKSWRO-SPLQCWDRSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc3[nH]ncc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFNZYWCVCBCDC-VVVONTASSA-N", "SMILES:Cc1n[nH]c2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVNWBLDSZDKZJZ-VVVONTASSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc3cc[nH]c23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKLYAPLYRFRIQ-QMKUDKLTSA-N", "SMILES:Cn1ccc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHCUAEWHJYFSGN-VVVONTASSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc3ccn(C(F)F)c23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKAXLPVXSGFNEG-SPLQCWDRSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc3cn[nH]c23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHPANHXKAHWPJ-VVVONTASSA-N", "SMILES:Cn1ncc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDIOLDNCDNEHAU-IDCJVQTKSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc3ncsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJZRQCYAFOWJY-IDCJVQTKSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc3[nH]cnc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTPIGNHVGDJGTP-YHFSLCLQSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)nc3ccccc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYUEFXHKFQGQP-BBNYVJOESA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cc(F)cc(N4CCOCC4)c3)nc3ccoc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVZKFNVUCWHHX-BBNYVJOESA-N", "SMILES:Cc1n[nH]c2nc(Nc3cc(F)cc(N4CCOCC4)c3)nc(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLRDCRGPRORVPE-BBNYVJOESA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cc(F)cc(N4CCOCC4)c3)nc3ccn(C(F)F)c23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJEYJRMDRWSNJQ-XLQHLMKVSA-N", "SMILES:NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cc(F)cc(N4CCOCC4)c3)nc3ncsc23)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQHJJFTLQLBFU-UGCQDJOBSA-N", "SMILES:CC(C)n1ncc2ccc(Nc3nc(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)c4c(ccn4C)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCAMIKPVHNEXFM-YHFSLCLQSA-N", "SMILES:CC(C)n1ccc2nc(Nc3ccc4cnn(C(C)C)c4c3)nc(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCFUOBOKAOMGPA-BBNYVJOESA-N", "SMILES:CC(C)n1ncc2ccc(Nc3nc(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)c4c(ccn4C(F)F)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMFSVNFPUPGCA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(S(=O)(=O)N2CCC(O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGNRDBUPFZGAX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBCCWMMFQETQM-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQRCZYRSLGHKN-UHFFFAOYSA-N", "SMILES:CNc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXBSAEFWOYMIHW-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHVGTHOGGILHCQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Nc2ccc(F)c(C(F)F)c2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPILVOWTLIFFD-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSXUNXOLVCFSM-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NC(=O)c2ccc(N)c(S(N)(=O)=O)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMBCYPMZGZXRBD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc(N)c(S(N)(=O)=O)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBAHYCVZGMFKFO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc(S(N)(=O)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLCJNRRDMJQHSR-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c(S(N)(=O)=O)cc1C(=O)Nc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYUMOCUVNYJPOQ-UHFFFAOYSA-N", "SMILES:Nc1cc(F)c(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGLELFFSYXAND-UHFFFAOYSA-N", "SMILES:Nc1cc(Cl)c(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXBOKCJXDXIZPJ-UHFFFAOYSA-N", "SMILES:Nc1cc(Br)c(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKXRVXWIFEIMK-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLDAGAZBMNMBQL-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USRWLCMXAWUTJD-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URLYJGMFWIWHQP-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPCLLAOTNUZCM-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cc(S(N)(=O)=O)c(N)cc2C)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNAPAJVDXMJSL-UHFFFAOYSA-N", "SMILES:OCC12CC3CC(C1)C(c1ccc(O)cc1)C(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUQKBOYWWCPCX-UHFFFAOYSA-N", "SMILES:O=C1CC2(CCC(c3ccc(O)cc3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGJPRBLNZEFEU-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2CCC3(CC2)CC(O)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIKAHDKEZWAJKT-UHFFFAOYSA-N", "SMILES:CC1CCC(C(=O)NCC#N)CN1N(C)c1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGBDAPCOXYEMV-UHFFFAOYSA-N", "SMILES:CC1CCC(C(=O)NCC(F)(F)F)CN1N(C)c1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSDNEXABROUHAK-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCCC(C(=O)NCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZUWAQFDDIFRW-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCCC(C(=O)NCC(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTLWSYPNJYAHU-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCCC(C(=O)NCC(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRCXKYPWMKWLY-UHFFFAOYSA-N", "SMILES:COCNC(=O)C1CCCN(N(C)c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXYBMFSIFBATAC-UHFFFAOYSA-N", "SMILES:CN(CC(F)(F)F)C(=O)C1CCCN(N(C)c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXKEUOWZWLSTP-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCCC(C(=O)N2CC(O)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBZBAWGQJMDLU-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCCC(N2CCCC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSYOIRNMSTXJRY-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCCC(C(=O)NCCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASDOQNWFDCJJU-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCCN(C(=O)CC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJAZQFYFIVPIPW-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)NCC(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKNRUSAGBVEOGD-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)NCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSMDVOPFKVGLOM-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCCC(C)(C(=O)NCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYJDCJUSBGCTK-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCC(C)(C(=O)NCC(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJWCKUNYEHKJFS-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)NCC#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKPPVHTMFAZBI-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)NCC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJAZQFYFIVPIPW-SECBINFHSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CC[C@@H](C(=O)NCC(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJAZQFYFIVPIPW-VIFPVBQESA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CC[C@H](C(=O)NCC(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSDNEXABROUHAK-LLVKDONJSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCC[C@@H](C(=O)NCC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZUWAQFDDIFRW-SNVBAGLBSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1"]}
{"name": "Dual specificity protein kinase CLK4", "xref": ["CHEMBL.TARGET:CHEMBL1075283"], "id": "UniProtKB:O35493", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1604618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROCFOIBAEVAOLQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WROAXSSJZFFCSV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]cnc2c1)c1csc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPLCQGRPDWUMMR-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc(-c3ccc(O)c(O)c3)cc2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNGVPQNGWKDPSU-CSKARUKUSA-N", "SMILES:CCCCS(=O)(=O)Oc1ccc(/C=C/C(=O)OCC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTDRENBPJNKXAZ-CSKARUKUSA-N", "SMILES:CCCCS(=O)(=O)Oc1ccc(/C=C/C(=O)OCCC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSROQQJXXXPRKU-PKNBQFBNSA-N", "SMILES:CCCCOC(=O)/C=C/c1ccc(OS(=O)(=O)CCCC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSHNBIMVOFLUCV-ONNFQVAWSA-N", "SMILES:COC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTQIEZPPUOXDZ-VZUCSPMQSA-N", "SMILES:CCCOC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVPFVABZXDGQP-WUXMJOGZSA-N", "SMILES:CCCCOC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCJVOCLBEOUZTH-VZUCSPMQSA-N", "SMILES:COc1cc(/C=C/C(=O)OCC(C)C)ccc1OS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLAXHJLBTJYGOS-ZRDIBKRKSA-N", "SMILES:CCCCS(=O)(=O)Oc1ccc(/C=C/C(=O)Nc2ccccc2I)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTOPOSQNKIQUIU-UKTHLTGXSA-N", "SMILES:CCCCS(=O)(=O)Oc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNSEUOBSDQXAA-GXDHUFHOSA-N", "SMILES:CCCCS(=O)(=O)Oc1ccc(/C=C/C(=O)Nc2ccc(CC)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGXDZLOCCYNSM-NTUHNPAUSA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPMDJSQKJUNAI-QLKAYGNNSA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2ccc(I)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEYVPPVMCLJOGX-UTCJRWHESA-N", "SMILES:O=C1NC(=S)/C(=C/c2ccc(O)c(O)c2O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSRXTHWZVFGCJR-CXEQAMIMSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C/c5ccc(Br)cc5)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQXWRMQBGVMLB-ZJZGQBIDSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C/CC(C)CCC=C(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYXXKLMOVNWLGY-NRFANRHFSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(C(=O)CSC4=NCCS4)c(O)c(C)c(O)c3[C@@]2(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQOUINXDUSWSQ-UHFFFAOYSA-N", "SMILES:CC(C)=CCCC(C)CCNC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZINFHFSSBRJM-UHFFFAOYSA-N", "SMILES:CC(C)CCCC(C)CCOc1ccc(C2SCC(=O)N2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUGHBBQIHLPTFO-LTGZKZEYSA-N", "SMILES:CC(C)=CCC/C(C)=C/COc1ccc(C2SCC(=O)N2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFHRULAMKNDHKU-UHFFFAOYSA-N", "SMILES:CC1(C)C2CC=C(COc3ccc(C4SCC(=O)N4Cc4ccccc4)cc3)C1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHIAUWRSFXRKD-UHFFFAOYSA-N", "SMILES:CC1(C)C2CC=C(CCOc3ccc(C4SCC(=O)N4Cc4ccccc4)cc3)C1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJADHMPVYBAQOW-XADRRFQNSA-N", "SMILES:CC1=CC[C@@H](CCOc2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELFCHSTRNARKJ-XCEVRIASSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSQNUIYEZJOJC-ZOWDERHGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)c2ccc(-n3[se]c4ccccc4c3=O)cc2)C(=O)N[C@@H](CCN)C(=N)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NURPYXNAWPDGIS-VPAQTAIASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)Cc2ccc(-n3[se]c4ccccc4c3=O)cc2)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVHLGFFOPPFNQ-AGSWFYFVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CCc2ccc(-n3[se]c4ccccc4c3=O)cc2)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFBMRMRQVGQFBV-PKIHPVACSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CCc2ccc(-n3[se]c4ccccc4c3=O)cc2)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLMJFEMZWAEQQR-XOLUTNMGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CCc2ccc(-n3[se]c4ccccc4c3=O)cc2)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHERELHRQKRTGQ-OHDPMZIGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CCCn2[se]c3ccccc3c2=O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOMPJILWCZDAOR-IQPXMTETSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CCCCCn2[se]c3ccccc3c2=O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUIDOEFZEVXJJX-ODBBSRCISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)NCCNC(=O)Cc1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLVIKHOYUNKOHC-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1ccc(C2[Se]c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLCMHXUZYKKRA-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWYWFOHKDTUNTL-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOQAETKABKGWPJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCn1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYBIEOWLDKAKN-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCn1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKBYIWGVODPSLG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOAAUCBISZHYHH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2[nH]ncc2c2c1ncc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHHBALCFCBWCOT-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc2[nH]nc(I)c2c2c1ncc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLPQUGATOLTHDS-UHFFFAOYSA-N", "SMILES:C=Cc1n[nH]c2cc([N+](=O)[O-])c3ncc4ccccc4c3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMYAOMAUASOEV-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2[nH]ncc2c2c1ncc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXBWNYCFMIDFJM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc2[nH]ncc2c2c1ncc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCDWCRJNQILOBE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2[nH]ncc2c2c1ncc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDMYQKEGXRPSV-CPJXHTSBSA-N", "SMILES:CC[C@H](C)[C@@H](CCC(=O)NC)NC(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)[C@H](CCC(C)C)NCc1cnn(C)c1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXIMNHMNZSPQMI-DIPNUNPCSA-N", "SMILES:CNC(=O)[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NCc1ccc(-n2ccnc2)c(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNUWUHQJIGDSL-PGUFJCEWSA-N", "SMILES:CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(-n2ccnc2)c(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESNJOQCJLQZSK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBJKUTXUUVCHY-ZHACJKMWSA-N", "SMILES:O=C(O)c1cc(-c2ccc(/C=C/c3ccccc3)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOERNUYYYHTDDC-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCO)nn2)c(N)n1"]}
{"name": "Pyruvate decarboxylase", "xref": ["CHEMBL.TARGET:CHEMBL5169220"], "id": "UniProtKB:P06672", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:264203"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3559521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYZWZMXDQIZLB-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCOP(=O)(O)OP(=O)(O)O)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHXHSRODYCSMLO-UHFFFAOYSA-N", "SMILES:CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)NCCN1CCCCC1)OCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYRQGAFDGVLLU-UHFFFAOYSA-N", "SMILES:CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)N1CCN(C)CC1)OCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JALYMAFCKPDVEY-UHFFFAOYSA-N", "SMILES:CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)N1CCCCC1)OCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZRNNQMLIEBDY-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3cccc(S(=O)(=O)F)c3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMKFSIAKEAAADR-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)F)cc3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMEHELNLDXUWDI-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3cccc(OS(=O)(=O)F)c3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXTORBAODRINLP-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3ccc(OS(=O)(=O)F)cc3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGIAPQSZBAVKFO-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3cccc(N=C=S)c3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAPGQLHPZUITA-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3ccc(N=C=S)cc3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXVMBLCYHBPNS-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3cccc(S(=O)(=O)F)c3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDROORXQLOXQKW-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)F)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBQKUPHJMQEDF-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3cccc(OS(=O)(=O)F)c3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPUFYACHWMMHHC-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3ccc(OS(=O)(=O)F)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFCIKCVGRJBFS-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3cccc(N=C=S)c3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJQQDPYIWZQJP-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3ccc(N=C=S)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BINZQDMZAMRQON-YBFXNURJSA-N", "SMILES:CCN(CC)Cc1ccc(/C=C2\\Cc3cc(OC)c(OC)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BINZQDMZAMRQON-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(C=C2Cc3cc(OC)c(OC)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCUUMOLNVMESBD-CPNJWEJPSA-N", "SMILES:CCN(CC)Cc1ccc(/C=C2\\Cc3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCUUMOLNVMESBD-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(C=C2Cc3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWXHDBGQZGVNI-XDHOZWIPSA-N", "SMILES:CCN(CC)Cc1ccc(/C=C2\\Cc3cc(OC)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWXHDBGQZGVNI-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(C=C2Cc3cc(OC)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWXHDBGQZGVNI-UNOMPAQXSA-N", "SMILES:CCN(CC)Cc1ccc(/C=C2/Cc3cc(OC)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBLJTJFHVLUBG-XDHOZWIPSA-N", "SMILES:CCN(CC)Cc1ccc(/C=C2\\Cc3ccc(OC)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBLJTJFHVLUBG-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(C=C2Cc3ccc(OC)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYLITWWKMUTZLB-WCWDXBQESA-N", "SMILES:N#Cc1ccc(/N=N/c2ccc(O)c(-c3ccccc3)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQKJISVPPLHAB-OCOZRVBESA-N", "SMILES:COc1ccc(/N=N/c2ccc(C#N)c(C#N)c2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJZYTCIWCPKKF-WCWDXBQESA-N", "SMILES:N#Cc1ccc(/N=N/c2cc(-c3ccccc3)ccc2O)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQVKUIRVGKTKH-FMQUCBEESA-N", "SMILES:COc1cc(S)c(/N=N/c2ccc(C#N)c(C#N)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXGLAOEBLDSCR-FMQUCBEESA-N", "SMILES:COc1cc(S)c(/N=N/c2cccc(C#N)c2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPUOTHHSQXGFP-OCEACIFDSA-N", "SMILES:CC(=O)Oc1ccc(-c2ccccc2)cc1/N=N/c1ccc(C#N)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFFGAKIUNZWTM-UHFFFAOYSA-N", "SMILES:Cc1c(CCOCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGVUXUFLCQOPD-UHFFFAOYSA-N", "SMILES:Cc1c(CCOCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSZXIHQTTAVFLD-UHFFFAOYSA-N", "SMILES:Cc1c(CCOCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMYDSKKAKYONI-UHFFFAOYSA-N", "SMILES:Cc1c(CCOCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSVFPNEGUVNHH-UHFFFAOYSA-N", "SMILES:Cc1c(CCOCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGNCTIUFLBYWPS-UHFFFAOYSA-N", "SMILES:Cc1c(CCOCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCHBVJNUPTSRW-UHFFFAOYSA-N", "SMILES:Cc1c(CCSCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIMMWAFZQUYXRR-UHFFFAOYSA-N", "SMILES:Cc1c(CCSCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNTXMGSZKPVYTF-UHFFFAOYSA-N", "SMILES:Cc1c(CCSCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSXSICJBHJXJF-UHFFFAOYSA-N", "SMILES:Cc1c(CCSCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYGUELQJYCRDJ-UHFFFAOYSA-N", "SMILES:Cc1c(CCSCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIKQSURGJCEDC-UHFFFAOYSA-N", "SMILES:Cc1c(CCSCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISBMADSLCINRLW-UHFFFAOYSA-N", "SMILES:Cc1c(CC[S+]([O-])CCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKVTAALRDHDQM-UHFFFAOYSA-N", "SMILES:Cc1c(CC[S+]([O-])CCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSRGPIMIYZHLG-UHFFFAOYSA-N", "SMILES:Cc1c(CC[S+]([O-])CCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVRWUOUSDVERHE-UHFFFAOYSA-N", "SMILES:Cc1c(CC[S+]([O-])CCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCNHWEFRUBPYEX-UHFFFAOYSA-N", "SMILES:Cc1c(CC[S+]([O-])CCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSFFGBNDHUOAX-UHFFFAOYSA-N", "SMILES:Cc1c(CC[S+]([O-])CCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTNNJITFQNSKJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)NCCc4ccccc4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGQQEXUVPMTGT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)NCc4ccccc4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFARWXNEDQDWDX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)Nc4ccccc4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHZMBXKUAGSAB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)NCCOc4ccccc4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOVNENPPORSALZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CCC(Oc5ccccc5)CC4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJUCBFRDYQROMU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXQOOLVKCVIDSD-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHGHIJJNDVYRQW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Nc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHSGEERCVXSMSS-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(Nc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUAYMHMIDIKRCH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(Nc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOTMJRUPFXOSKE-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCCC(Nc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRKXNQCUYRVJR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Nc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWKPPMZQJQCLGW-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(Nc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFYKWZTCLWDED-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CCCN(c2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGJAZFMPWHHNI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(O)(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHBTYLZUMLEPKN-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNc1ncnc2[nH]cc(C(=O)N3CC(Oc4ccccc4)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVGYPJVIDGSKCA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccc(F)cc5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKPSBUKROISTPO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5cccc(F)c5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDDDPOOLGYLCN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5cccc(C)c5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEHPOHXRIDOYAC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5cccc(Cl)c5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHGQRBSHGVSPE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5cccc(C(F)(F)F)c5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPISEMZYVFJGOY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5cccc6ccccc56)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEDEQAGAOVIPS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccc6ccccc6c5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCRIWNDZPOPKMC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccn5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQYGEVNRDAOPRJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(OCc5ccccc5)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAHGZRANGUGIQR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(OC(C)C)C4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQEBIGKQTDKAHR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(C)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFPCHNLPOFPHF-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(C)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBBFVRQHNUWIGY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXHUWCGYPWIER-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHXZLRQLKQLAOT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)cc4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWTUBJWWGBYCRE-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)cc4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBVGQVTELBVGU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(C)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUIPDOMCWNPVJM-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(C)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXGYUYDHVULPU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRRETCEYMWFQN-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZVDKWZYPDXJV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)cc4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCDUUCGXYYTEAO-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)cc4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLRUAFWOKUSYQM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C6CC6)cc5)c(F)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTVUDBGKTXFCIE-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccc(C6CC6)cc5)c(F)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLZFQUIEECNEMP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccccc5)c(F)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGMXYVAPMJPNR-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)c5ccccc5)c(F)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMFIHUKUPEOMT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)Nc5ccccc5)c(F)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKXPKDZVQDKVHW-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CC=C(c2c[nH]c3ncnc(-c4ccc(CNC(=O)Nc5ccccc5)c(F)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSHIORGRZXPVSN-IAGOWNOFSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cn(CC(F)(F)F)nc2[C@@H]2CCC(Cl)(Cl)C[C@H]2C(=O)NC2(C#N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXGFNZJITASTDZ-DNQXCXABSA-N", "SMILES:N#CC1(NC(=O)[C@@H]2CCCC[C@H]2c2nn(CC3CC3)cc2-c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTVYUWXXPWHDE-KAYWLYCHSA-N", "SMILES:COc1cccc(-n2cc(-c3ccc(N4CCS(=O)(=O)CC4)cc3)c([C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGVXFSORZOPTL-CLJLJLNGSA-N", "SMILES:N#CC1(NC(=O)[C@@H]2CCCC[C@H]2c2nn(-c3ccc(F)cc3)cc2-c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBWFYUHMCHTQJT-JWQCQUIFSA-N", "SMILES:N#CC1(NC(=O)[C@@H]2CCCC[C@H]2c2oc(-c3ccc(F)cc3)nc2-c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDCVAAWZNLXJK-JWQCQUIFSA-N", "SMILES:N#CC1(NC(=O)[C@@H]2CCCC[C@H]2c2nc(-c3ccc(F)cc3)sc2-c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHZPCXKJZUXDIW-WOJBJXKFSA-N", "SMILES:N#CC1(NC(=O)[C@@H]2CC(F)(F)CC[C@H]2c2nn(CC(F)(F)F)cc2-c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXHYIMLURINNH-NHCUHLMSSA-N", "SMILES:N#CC1(NC(=O)[C@@H]2CCCC[C@H]2c2nn(CC(F)(F)F)cc2-c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYOVIUKVQHWHC-WOJBJXKFSA-N", "SMILES:CS(=O)(=O)N1CC(c2ccc(-c3cn(CC(F)(F)F)nc3[C@@H]3CCC(F)(F)C[C@H]3C(=O)NC3(C#N)CC3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSSYIXQTVWQIAR-QZTJIDSGSA-N", "SMILES:N#CC1(NC(=O)[C@@H]2CC(F)(F)CC[C@H]2c2nn(CC(F)(F)F)cc2-c2ccc(-c3ncco3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKOVKIIXUZOBQZ-WOJBJXKFSA-N", "SMILES:N#CC1(NC(=O)[C@@H]2CC(Cl)(Cl)CC[C@H]2c2nn(CC(F)(F)F)cc2-c2ccc(C(=O)N3CCOCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXXRVYJTZXHGQ-WOJBJXKFSA-N", "SMILES:N#CC1(NC(=O)[C@@H]2CC(Cl)(Cl)CC[C@H]2c2nn(CC(F)(F)F)cc2-c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLCINBRBKLLTK-JWQCQUIFSA-N", "SMILES:N#CC1(NC(=O)[C@@H]2CC(F)(F)CC[C@H]2c2nn(-c3ccc(F)cc3)cc2-c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPQAFMPCMVIARX-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBPGGPLSRCXIM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDBAGSYNQOBNDU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(-c3cc(OC(F)(F)F)ccc3-n3ccnc3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNLJJLZIVCGFI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)ccc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDOKDADFOBKIL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBFRTZUKAUTAA-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)ccc1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQAAAODLPLVLBB-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)ccc1OC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVGWGWHJPJFWAO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(-c3cc(OC(F)(F)F)ccc3-c3cn[nH]c3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSHDCPRMVAQULX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(-c3cc(Cl)ccc3-c3ccnn3C)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOSZOBCGZUABOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(-c3cc(Cl)ccc3-c3cn[nH]c3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBIHULYVOZYOM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(-c3cc(OC(F)(F)F)ccc3-n3cccn3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXMFLYVFIITMSH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(-c3cc(OC(F)(F)F)ccc3-c3ccnn3C)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUGTQOTBXXYQP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(-c3cc(OC(F)(F)F)ccc3-n3cncn3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVORJSIGHIQJK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cc(Cl)ccc3-n3cncn3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPEFNSWYQLGBQW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cc(Cl)cc(F)c3-n3cncn3)n2)c(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMDDWPLXXFBDG-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(-c2noc(-c3cc(Cl)ccc3-n3cncn3)n2)c(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTOASTSIZJGUOZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2noc(-c3cc(Cl)ccc3-n3cncn3)n2)cc(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWXQMMNNONAQSQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc(-c3cc(Cl)ccc3-n3cncn3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZJVSVIUHWKQW-UHFFFAOYSA-N", "SMILES:COc1cc(OCC(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)ccc1OC1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJHSEIYEXVXCPJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2cc(F)cnc2OC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGSXQOOSQVSOA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cc(Cl)c(F)cc3-n3cncn3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRSYJGAHTJBKIN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cc(Cl)ccc3-n3cncn3)n2)c(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALOOAJRLWUXJH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc(-c3cc(OC(F)(F)F)ccc3-n3cncn3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPUXKCLONETJM-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(N(C)C)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEZKJFDRQXFTI-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(N3CCCC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTXHHRPNVQPIM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(N3CCCC3)[nH]c2=O)ncc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWRZSFKINYFKS-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(N3CCCCC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZDXFVDMRJXON-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(N3CCOCC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFNRLIYZGAJIKI-UHFFFAOYSA-N", "SMILES:CNc1ncc(-c2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(C)n2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCGYPEYBFBDXSF-UHFFFAOYSA-N", "SMILES:CCNc1ncc(-c2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(C)n2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTWNQGXKDRADED-UHFFFAOYSA-N", "SMILES:CCNc1ncc(-c2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UREZAFQRYNPCHA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIRQRDSFAAUTAY-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(NC3CC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJIISUKTLKCLK-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(NC3CCCC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDZWVCKAOGYGL-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(NC3CCOCC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWOUVMBSQUOLY-UHFFFAOYSA-N", "SMILES:CCNc1ncc(-c2ccc(Oc3ccnc(-c4ccc(C)nc4)c3)c(C)n2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKMTJKMGZTJPH-UHFFFAOYSA-N", "SMILES:CCNc1ncc(-c2ccc(Oc3ccnc(-n4cnc(C)c4)c3)c(C)n2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UECQTNRFEUFIHT-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cc(Oc3ccc(-c4cnc(NC(C)C)[nH]c4=O)nc3C)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWFZWUKPLWQBJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(-c3cnc(NC(C)C)[nH]c3=O)nc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLXSCMSXYRMQH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Oc2ccc(-c3cnc(NC(C)C)[nH]c3=O)nc2C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095202", "category": ["biolink:ChemicalEntity"], "name": "VIMSELTINIB", "xref": ["InChIKey:TVGAHWWPABTBCX-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"], "synonym": ["Dcc-3014", "Vimseltinib", "DCC-3014", "DP-6865", "Vimseltinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJIRIQBCHHNGDO-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(NC3CC3)n(C)c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOCLVVBZUKTGHF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMVAYCDDPIHBDR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)nc3)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYTINAIANCXBTN-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)Cc2ccc(F)cc2)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXAMVJNNDJRGFG-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)NC(=O)Cc2ccc(F)cc2)ncc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBJIFLFRWUBPO-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)CC2CCCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCPIMEOPSFOWKB-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)C2CCCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZWYWQCAVGQIH-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)C2CCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USQDNKJTXHBZRC-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)C2CCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOKAKSETFBBEQ-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)C2(C)CC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLCQKJYTVNVCY-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)C(C)(C)C)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFPZTVJHCRSKV-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)C(C)C)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVUWWVPVSPFNT-UHFFFAOYSA-N", "SMILES:CCC(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URZFDLKDKFIRGI-UHFFFAOYSA-N", "SMILES:CCc1nc(NC(=O)NC(=O)C(C)(C)C)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIAEVSQQPXMCV-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)CC2CCOCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPWJPNLAGHYOY-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)C2CCOCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIQLUWGXRPQJFF-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)C2(C)CCOCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRXMWPXDQLCFW-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)NC(=O)C2CCOC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYPXGGXWYCGJCN-UHFFFAOYSA-N", "SMILES:COC1(C(=O)NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGLUQQCIZIEJHF-UHFFFAOYSA-N", "SMILES:COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYGJMWGBWWOMN-UHFFFAOYSA-N", "SMILES:COCC(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXFPRAKEYSDMS-UHFFFAOYSA-N", "SMILES:COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3ccc(C)nc3)c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CANPTKDXQQAVKO-UHFFFAOYSA-N", "SMILES:COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3ccnc(C)c3)c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGHJSVPEMJVPKE-UHFFFAOYSA-N", "SMILES:COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnc(C)s3)c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVSEKHVPXXJRI-UHFFFAOYSA-N", "SMILES:COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cc(C)no3)c2)c(C)n1"]}
{"name": "Amine oxidase [copper-containing] 2", "xref": ["CHEMBL.TARGET:CHEMBL4112"], "id": "UniProtKB:O75106", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKYYQNSBMPNWOO-UHFFFAOYSA-N", "SMILES:NCC(=CF)COc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QECALCOIXVDTFH-UHFFFAOYSA-N", "SMILES:NCC(=CF)COc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QECALCOIXVDTFH-RMKNXTFCSA-N", "SMILES:NC/C(=C\\F)COc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFEFFQHUAZJIGH-UXBLZVDNSA-N", "SMILES:Cc1ccccc1OC/C(=C/F)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERSIUPHHFRESY-UHFFFAOYSA-N", "SMILES:Cl.NCC(=CF)C1Cc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERSIUPHHFRESY-GLPDOFEKSA-N", "SMILES:Cl.NC/C(=C/F)[C@@H]1Cc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERSIUPHHFRESY-RSJNHROISA-N", "SMILES:Cl.NC/C(=C/F)[C@H]1Cc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERSIUPHHFRESY-XBYABQMDSA-N", "SMILES:Cl.NC/C(=C\\F)[C@@H]1Cc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERSIUPHHFRESY-CGQRBHBASA-N", "SMILES:Cl.NC/C(=C\\F)[C@H]1Cc2ccccc2O1"]}
{"name": "Amine oxidase [copper-containing] 3", "xref": ["CHEMBL.TARGET:CHEMBL4592"], "id": "UniProtKB:O08590", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWAJIMIRTUNLO-ROUUACIJSA-N", "SMILES:O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZGFDLNZKJPSSW-OALUTQOASA-N", "SMILES:O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLEDRQFKXCYFCJ-ROUUACIJSA-N", "SMILES:O[C@H]1CCCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYRDXIRETGUZOD-OALUTQOASA-N", "SMILES:O[C@H]1CCCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJALCZAMMRJQJB-ROUUACIJSA-N", "SMILES:O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJRTKRTEYIVLK-OALUTQOASA-N", "SMILES:O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUWJJGIGSQSMW-IRXDYDNUSA-N", "SMILES:O[C@H]1CCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POXGMEPFJHVKBM-ROUUACIJSA-N", "SMILES:O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWKIEGJVVWLOP-IRXDYDNUSA-N", "SMILES:O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHIOSFPYGFYMPM-ROUUACIJSA-N", "SMILES:O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPBALIZVGIHBF-IRXDYDNUSA-N", "SMILES:O[C@H]1CCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPTWQVDNSGMES-ROUUACIJSA-N", "SMILES:O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBEWUXLAMZQTOS-IRXDYDNUSA-N", "SMILES:O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(I)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHEZCABNBHDWEU-ROUUACIJSA-N", "SMILES:O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(I)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2314209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMWRWKXPXXZAS-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)[nH]c3cc(Cl)ccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHOUNMVUKATSK-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)O)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBVRAPNGVATLLV-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc(C(=O)O)c4cc(Cl)ccc43)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOKSFLGDGPESGV-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4cc(Cl)ccc4c3C(=O)O)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWMRIMTNGCERF-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXHNTASNPDUFSU-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBNNXPFAABZVFQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCN4CCOCC4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMUMIQGNKAABEB-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLLQWTVLHQMTP-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccco4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTAOKZPUNLPFN-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccn(C)n4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODZXAOFSAXVKV-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4cccnc4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFQCLBMQDHWPQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4cccnc4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHJJUWPFTJRQBD-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccncc4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFHHUFGFWHXSJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccncc4)c([N+](=O)[O-])c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTXZMMLBRDDBP-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCRVZSFELPGVDC-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEZTVEBPLZYGQT-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])c(NCCc4ccco4)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNJZFOOBQMIPB-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])c(NCc4ccn(C)n4)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEOFRJWZCOVOW-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYLLTCUSKJQRPN-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])c(NCCc4cccnc4)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQQYJBQVLMERIB-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])c(NCc4ccncc4)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBWBGFPDGLWAW-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])c(NCCc4ccncc4)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBHXVOCZBPADE-PMERELPUSA-N", "SMILES:Cc1c(-c2c(-c3ccc(F)o3)sc3ncnc(O[C@@H](Cc4ccccc4OCc4ccnn4CC(F)(F)F)C(=O)O)c23)ccc(OCCN2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267014", "category": ["biolink:ChemicalEntity"], "name": "L-745870", "xref": ["InChIKey:OGJGQVFWEPNYSB-UHFFFAOYSA-N", "SMILES:Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMGZAICAOYEAF-UHFFFAOYSA-N", "SMILES:CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABOBMBIQQPJTMJ-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWPYQLTNYBQBG-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.c1ccc(N2CCN(CCCn3ccc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQYZWWNFYPIWGY-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.c1ccc(N2CCN(CCCn3cnc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPDOTGNALJETL-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.c1ccc(N2CCN(CCCc3nc4ccccc4[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZRZYCBHQXKPT-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.c1ccc(N2CCN(CCCc3nc4ccccc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJNUHGQZODESIZ-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.c1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMXXNVVMDOOFQP-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.c1ccc(N2CCN(CCCN3CCCc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEBVZIFHEKEUKP-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGHPWNSRGQYOQ-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIOFLKLJBKURNS-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVLINCMBQOVMI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(CCCN2C(=O)CCc3ccccc32)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURIFAMWYUXKNB-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCN(CCCN3C(=O)CCc4ccccc43)CC2)c1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEKRIZLXBVWBIL-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CCCN3C(=O)CCc4ccccc43)CC2)cc1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJZREKHKPWPSJH-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN2C(=O)CCc3ccccc32)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQMDUZOTERVWTI-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCN3C(=O)CCc4ccccc43)CC2)c1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWVLRKDFHCPGKC-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCN3C(=O)CCc4ccccc43)CC2)cc1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVFOXDJOLOAAO-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKYWZJSPKJHTND-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFOLWJGPOSZDG-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTMZCLGDDPXSLJ-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSFXLKTCODPAP-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXSXPYWVKXZBO-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJULAMCAJKNIW-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1N1CCN(CCCN2C(=O)CCc3ccccc32)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBLQWGDDRIRBTR-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWIYYLHESHZSB-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFVHIVWQXOUUIE-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCWRGXPYLBVSPB-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPAHJQLPXLOCOP-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)O.O=C1CCc2ccccc2N1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEFYJHCPILXFKJ-FQEVSTJZSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccnc2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RINFEVYWSYRNHT-DEOSSOPVSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cncc3ccccc23)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZOGAABBRAAQQF-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCN1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183847", "category": ["biolink:ChemicalEntity"], "name": "ENSITRELVIR", "xref": ["InChIKey:QMPBBNUOBOFBFS-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)[nH]/c(=N\\c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1"], "synonym": ["Ensitrelvir", "Ensitrelvir", "S-217622", "S-217622", "Ensitrelvir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XREZIAMDGRLMGZ-UHFFFAOYSA-N", "SMILES:O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTUDPUXXBGYRD-SFHVURJKSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCN1Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIZAKYWLGBGKKY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLOKSLGZKWIQI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccs1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIZAKYWLGBGKKY-QGZVFWFLSA-N", "SMILES:O=C(NCc1ccco1)[C@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIZAKYWLGBGKKY-KRWDZBQOSA-N", "SMILES:O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLOKSLGZKWIQI-KRWDZBQOSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJUIGGAFQMBOTQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCN1Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJUIGGAFQMBOTQ-SFHVURJKSA-N", "SMILES:O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCN1Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXZAFCZOMISJH-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPFAUGYEWVKESQ-AQRCPPRCSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1518596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAZPKSKUOOWBMI-UHFFFAOYSA-N", "SMILES:CC1CN=C(Nc2ccc(F)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDXRVULQUCTVRI-UHFFFAOYSA-N", "SMILES:CC1CN=C(Nc2ccc(O)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENWMLIILWNSTP-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC2=NCC(C)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDAUNALVBAQISY-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC2=NCC(C)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1567307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRSEPBFXYHLIO-UHFFFAOYSA-N", "SMILES:COc1ccc(NC2=NCC(C)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1596890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRFZECBQOVYTMH-UHFFFAOYSA-N", "SMILES:CC1CN=C(Nc2ccc(N(C)C)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1998455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACQCQBZFCWXOT-UHFFFAOYSA-N", "SMILES:CC1CN=C(Nc2cccc(F)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAICHRCMCQSSEP-UHFFFAOYSA-N", "SMILES:CC1CN=C(Nc2cccc(O)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1544692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYWXYROQFVDKA-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NC2=NCC(C)S2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAORFBXSARWMHX-UHFFFAOYSA-N", "SMILES:CC1CN=C(Nc2ccccc2F)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1984729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBGXRCEDPWMPG-UHFFFAOYSA-N", "SMILES:CC1CN=C(Nc2ccc(F)cc2F)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1600521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQURMDYWWNVZAF-UHFFFAOYSA-N", "SMILES:CC1CN=C(Nc2ccccc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGWKEAOZLLKQT-UHFFFAOYSA-N", "SMILES:CC1SC(Nc2ccc(F)cc2)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1874543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABBIJUYBGHHPFV-UHFFFAOYSA-N", "SMILES:O=C1CSC(Nc2ccc(F)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAPMOBQCVRLARI-UHFFFAOYSA-N", "SMILES:ICC1CN=C(Nc2ccccc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSURQIDBPNDRGH-UHFFFAOYSA-N", "SMILES:Clc1ccc(NC2=NCC(CI)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2001121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUESOELOZGCFPS-UHFFFAOYSA-N", "SMILES:CC1(C)CN=C(Nc2ccc(F)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVBYLYTSRSMAM-UHFFFAOYSA-N", "SMILES:Nc1ccc(NC2=NCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1421075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNRDYOXKIWFNPP-UHFFFAOYSA-N", "SMILES:c1ccc(NC2=NCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1333076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXBHTSCSNCJFDH-UHFFFAOYSA-N", "SMILES:CC1CN=C(Nc2cccc3ccccc23)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHUXJTBOEVJJIA-UHFFFAOYSA-N", "SMILES:CC1CSC(Nc2cccc3ccccc23)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMTVFKPVCGRXJF-UHFFFAOYSA-N", "SMILES:Clc1ccc(NC2=NCCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1625095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMNZMYUHMBOMN-UHFFFAOYSA-N", "SMILES:c1ccc(NC2=NCCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1732433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZMKEDMYYJQGRD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUWOLDNYOTRBO-UHFFFAOYSA-N", "SMILES:c1cc2c(s1)CCNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFMHJJPZRDRFGU-UHFFFAOYSA-N", "SMILES:c1cncc(C2NCCc3sccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXOJOFWZSFANH-UHFFFAOYSA-N", "SMILES:c1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIPDLZNNHFNKM-UHFFFAOYSA-N", "SMILES:c1ccc(C2NCCc3occc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHLMHBOAXFQGHL-UHFFFAOYSA-N", "SMILES:c1ccc(C2NCCc3[nH]ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUWRVYJXNABPR-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1427920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIPRTQNWIXZVKX-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGYGEGIMPYZYNT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMLCOYOOMFHHT-UHFFFAOYSA-N", "SMILES:Brc1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1874284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDQQAQKBAQLLE-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRZKBCXVFASGK-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZCMETAKLJEQBV-UHFFFAOYSA-N", "SMILES:Nc1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBGHOGCQJXADM-UHFFFAOYSA-N", "SMILES:OCc1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIVMJSKELKHKK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2NCCc3sccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGRXQLNFXCZMO-UHFFFAOYSA-N", "SMILES:Clc1cccc(C2NCCc3sccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKRBOOLABEXKU-UHFFFAOYSA-N", "SMILES:Oc1cccc(C2NCCc3sccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGAFBFIDMKVPQW-UHFFFAOYSA-N", "SMILES:Nc1cccc(C2NCCc3sccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PINBQFFGXAFUKA-UHFFFAOYSA-N", "SMILES:COc1cccc(C2NCCc3sccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRRQAZEUFCHHW-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C2NCCc3sccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXQJQTYOUPDOFY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(C2NCCc3sccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTMQBCBKHKAVDG-UHFFFAOYSA-N", "SMILES:Fc1ccccc1C1NCCc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSMFWDLYRJQFQ-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C1NCCc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXCIGRIUPYHDIQ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C1NCCc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQIKLXUNNSOINC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1C1NCCc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XODXRYYDGZJSCS-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1C1NCCc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOHCFGUKWDQVGK-UHFFFAOYSA-N", "SMILES:Brc1cccc2c1CCNC2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJAZZYOCOXNSIX-UHFFFAOYSA-N", "SMILES:Nc1cccc2c1CCNC2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUQFAQOSUIREV-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCNC2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOMLKXVQFNZPD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCC2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGEALMXPYCYLNO-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL21484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFZUYODRIULLG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXAFGNQOGEQLF-UFYCRDLUSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUQBDKJHGPFTTD-BKMJKUGQSA-N", "SMILES:CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)CNCc1ccc(OC)cc1OC)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWEUUVZMTLGMMV-IZZNHLLZSA-N", "SMILES:CCCCNCC(=O)N[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYQXJJDLFVHPA-LDVJMBRRSA-N", "SMILES:CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H]1NC[C@@H]1c1ccccc1)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVSAVHSOSLVLN-CFHHOXAGSA-N", "SMILES:CNC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@@H](C/C=C/c1ccccc1)NC(=O)CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMPSRIGANDKPDV-FDOABKJOSA-N", "SMILES:CNC(=O)C1c2ccccc2CN1C(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)CNCCOc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAWXZDXVOYLII-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CC2CC1CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHNFJNSQZZUNW-MAEOIBBWSA-N", "SMILES:O=C(CNCc1cc2ccccc2[nH]1)N[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDEONVCPWYDGHQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccccc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQJRWNAFMCXIW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccc(F)cc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZXSLHRLYRBBW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccc(Cl)cc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTKVLJQJDWIIT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccc(Br)cc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUWFCOATFJDOY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYMQSHNTGPRFH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSGDXTWOYBDNP-UHFFFAOYSA-N", "SMILES:COc1cc([N+](=O)[O-])ccc1CN(CCc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc(-c2cssc2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZBGRORDASXWIU-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLKHBMWSIKCZJQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCSRQYZULOBDX-UHFFFAOYSA-N", "SMILES:CSc1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBZUGMJVVHFGY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(CCc2ccccc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXKNLZFRRKFQCC-UHFFFAOYSA-N", "SMILES:N#CCCN(CCc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc(-c2cssc2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVYSRGAVMIHLR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNCc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZURSWNFBVOBU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNCc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOWJTOQJWFHJI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3423268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAFHFMSHSNKQDR-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKSMWLWYNATSCV-UHFFFAOYSA-N", "SMILES:COc1cc([N+](=O)[O-])ccc1CNCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3423262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIQHQYIPAYBKR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZCPALNCOZRZIG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBMILSSQMNPKL-UHFFFAOYSA-N", "SMILES:CSc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXZRQQMOCBAJCN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNCc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAQRASNRSBSXMM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNCc2csc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHZYPAKMFWHKV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJKCTXIMVDZAI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc3ccccc23)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMSGRMUQJXTESS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2csc3ccccc23)C(=O)c2ccc(-c3cssc3=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDEJVUKTKMVUBJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2cccc(NC(=O)Nc3cccc(Cl)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYESUYBSBCMNKE-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2cccc(NC(=O)Nc3cccc(Br)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUHSKVAAJQBPOD-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Nc2cccc(Oc3ccc(N)nc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMETUXLDLRIILZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBIZZUTJPXTGU-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2cccc(NC(=O)Nc3ccc(F)cc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNMKUMYTAAVAIH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cccc(Oc3ccc(N)nc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOBQZUKPDFBMS-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2cccc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMFMUHRWFDMHW-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUKOUSWGVIAHB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cccc(Oc3ccc(N)nc3)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPVWPUVBNHZNNF-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2cccc(NC(=O)Nc3ccc(F)c(Cl)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARKPOVPJBDBDH-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGPUXJGLSFASE-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(NC(=O)Nc3cccc(F)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEMQURDAHXQBQP-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYYNZLNHBMLTMA-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(NC(=O)Nc3cccc(Br)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDVXBDWRFZQHC-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Nc2ccc(Oc3ccc(N)nc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKESJQKZAXZFNJ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Nc2ccc(Oc3ccc(N)nc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBIXOXMOHXFUFZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRXSDCPEHPXFS-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMEMSSLPBBCSSA-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPSCXABZACPBGX-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYXHGWKOBXERBM-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPHQLKSQOWUHF-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICUJOKRWFPPQZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Oc2cnc3[nH]ccc3c2)c1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDUSCDKFOYSIAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cccc(Oc3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUMKVQAQIUEKL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cnc3[nH]ccc3c2)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLEHUCSSUVESEA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cnc3[nH]ccc3c2)cc1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYHRDHJLWVOHT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2cnc3[nH]ccc3c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATMRGOCUJXZRA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2ccc(Oc3cnc4[nH]ccc4c3)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTHPLLPZAHALG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTGTGROCWZBIG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBJNLPZKCOIBEG-UHFFFAOYSA-N", "SMILES:Nc1ncc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBNGKHARUCGJF-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGLQPUXVDEWAT-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2cccc(NC(=O)Nc3ccccc3F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFACLXCJIGARU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Oc2cnc3[nH]ccc3c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVBKVTBEUQINDN-LMGJUQTBSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCC1CCN(CC(=O)Nc2ccc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTHGVXWBMQNWSU-CXZWWHDOSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1CC(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHPNKAPWXFVQKQ-AEEVCGNZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNLCOXMRYDCPP-MUGJNUQGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRCMNWQMINJPCR-HNNXBMFYSA-N", "SMILES:O=C(O)[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWHMGPSQUGNOO-MLCQCVOFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDTUOMYVRLEOV-VKOGCVSHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WONMZRKDYXHZOT-UEOMBKFZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZXXJLXJQWTGY-WFXMLNOXSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALBCHDABRGPJKY-MUGJNUQGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANUXINVPZCWBPX-LUVWLHFXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSAHFRSRYYEUGN-FKBYEOEOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGNESNLXGMXAS-FHWLQOOXSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBUJECMHOFRFE-SYWGBEHUSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVIHOOYUWMZLD-TUFLPTIASA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVKBMPRUARQTFL-DSYPUSFNSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLSANMEIOOOBL-PGUFJCEWSA-N", "SMILES:CC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCc3cn(CC(=O)N4CCc5nc(NC(=O)[C@@H]6CCN(C#N)C6)sc5C4)nn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXYPFJKDQWPKY-XMMPIXPASA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(CCCCc1cn(CC(=O)N3CCc4nc(NC(=O)[C@@H]5CCN(C#N)C5)sc4C3)nn1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEZGBFVTPLTOK-HSZRJFAPSA-N", "SMILES:N#CN1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C(=O)Cn2cc(CCCNC(=O)c4ccc(-c5c6ccc(=N)cc-6oc6cc(N)ccc56)c(C(=O)O)c4)nn2)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYGNFAHZNIARF-HWYGMYFGSA-N", "SMILES:CN1C(=O)CC(C(=O)N2CCc3nc(NC(=O)[C@H]4CCN(C#N)C4)sc3C2)[C@@H]1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBPGFHSKRZDCX-LBPRGKRZSA-N", "SMILES:N#CN1CC[C@H](C(=O)Nc2nc3c(s2)CN(C(=O)CCCCBr)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPRHBDOVXAECX-AWEZNQCLSA-N", "SMILES:N#CN1CC[C@H](C(=O)Nc2nc3c(s2)CN(C(=O)Cc2ccncc2)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONIHSXKWNFYNNS-JTQLQIEISA-N", "SMILES:N#CN1CC[C@H](C(=O)Nc2ncc(N3CCOCC3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVLBUVOIYMNXIP-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc(C(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCITOVVEMWCKN-UHFFFAOYSA-N", "SMILES:CCC(C)c1ccc(NC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPBGTMNQXRWNH-UHFFFAOYSA-N", "SMILES:O=c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPAGATCVJBDCOS-RENATIMJSA-N", "SMILES:C/C=C1/CN2CC[C@@H]1c1[nH]c3ccccc3c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUPJAMOHYJWOKK-UHFFFAOYSA-N", "SMILES:COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCN2CCCC2)c2csc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDDHDBBOJNZKY-KNHMUNHZSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCNC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKVZPBVWPFDBBQ-LBBUGJAGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZNPEATKLIUKY-SFHKMCQHSA-N", "SMILES:CCCC(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC)C(C)C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5185846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXZCVQUADGCJB-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCCNc3ccc(C)cn3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJBZJTWRSWRULM-UHFFFAOYSA-N", "SMILES:Cn1c(CNC(=O)CCCOc2cccc3ccccc23)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCVHPRFEYATTB-CAPFRKAQSA-N", "SMILES:COc1cc(C(=O)N(CCC2CCCN2C)C/C(C)=C/c2ccccc2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEAORJQJPILMSX-UHFFFAOYSA-N", "SMILES:Cn1c(CNC(=O)CCCOc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMODAEOTDDMZKL-UHFFFAOYSA-N", "SMILES:Cn1c(CNC(=O)CCCOc2ccccc2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQTCPYOFCBPDIX-UHFFFAOYSA-N", "SMILES:Cn1c(CNC(=O)CCCCOc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKKBKNJKGMVLR-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2ccccc2c(=O)n1C)C(=O)CCCOc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDCNUBKMIADEJ-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2ccccc2c(=O)n1C)C(=O)CCCOc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQIQYZIXCJFTH-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2ccccc2c(=O)n1C)C(=O)CCCOc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFUTAKPZYOMDM-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCNc3ccc(C)cn3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QONVAYXHZABMBX-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCNc3ccccn3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVRCZUAHYHKTNY-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCNc3ccc(C)cc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYQNXRBLZHOKS-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCNc3cccc(C)c3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUZNZTDOFBCNAH-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCNC3CCCCC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFHZJZNYBQRCJ-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCN3CCN(C(=O)OCc4ccccc4)CC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPUXLUBQXBLBE-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCN3CCN(C(=O)CC4CCCCC4)CC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNPJFQRZWPBKJ-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCN3CCN(C(=O)CC(C)(C)C)CC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQCFNVEAQEDTL-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCN3CCN(C(=O)C(C)(C)C)CC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEMKZFQFBBTBK-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(CCNc2nn3c(=O)cc(CC)nc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVWHRGXKKLCOF-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCN3CCN(C(=O)OC(C)(C)C)CC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDCWCSFXQAKSC-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCCN3CCN(C(=O)OC(C)(C)C)CC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUYRBVWTTFJCFX-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCCN3CCC(C(=O)NC(C)(C)C)CC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINCBYHOPGCJSS-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(NCCCN(C)Cc3ccccc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMXHIVKIUHZFM-YKWNPASPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]2OC3(O[C@H]21)C([N+](=O)[O-])=CC([N+](=O)[O-])C=C3[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBCQKIVVIBTLQ-UHFFFAOYSA-M", "SMILES:O=C1CC(=O)N(c2cccc(-c3noc(=S)[n-]3)c2)c2ccc3ccccc3c2N1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYWFBVCAIAEAAX-UHFFFAOYSA-M", "SMILES:Cc1ccc2ccc3c(c2c1)NC(=O)CC(=O)N3c1cccc(-c2noc(=S)[n-]2)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORUIERVVPUDNFZ-UHFFFAOYSA-M", "SMILES:Cc1ccc2c3c(ccc2c1)N(c1cccc(-c2noc(=S)[n-]2)c1)C(=O)CC(=O)N3.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUGVPLOHTDOKJN-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.O=C1CC(=O)N(c2cccc(-c3noc(=S)[nH]3)c2)c2cc(Br)c3ccccc3c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJRYRNMKBKIBRI-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.Cc1ccc2c(Br)cc3c(c2c1)NC(=O)CC(=O)N3c1cccc(-c2noc(=S)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSWUMFHCNRCJQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.[N-]=[N+]=NCc1ccc2c3c(ccc2c1)N(c1cccc(-c2noc(=S)[nH]2)c1)C(=O)CC(=O)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISAPQLHIZPXYPB-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.O=C1CC(=O)N(c2cccc(-c3noc(=S)[nH]3)c2)c2cc(-c3ccccc3)c3ccccc3c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHYEBJQOZHJGJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.CCc1cc2c(c3ccccc13)NC(=O)CC(=O)N2c1cccc(-c2noc(=S)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCMCFJHNKGQAJA-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.Cc1cc(-c2noc(=S)[nH]2)cc(N2C(=O)CC(=O)Nc3c2ccc2ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOYXDCSCMRFMTQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.O=C1CC(=O)N(c2cc(-c3noc(=S)[nH]3)ccn2)c2ccc3ccccc3c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFJILUBRMXQOY-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.O=C1CC(=O)N(c2cncc(-c3noc(=S)[nH]3)c2)c2ccc3ccccc3c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKQIUDYZPMMBH-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.O=C1CC(=O)N(c2ccnc(-c3noc(=S)[nH]3)c2)c2ccc3ccccc3c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJQQXNLJXLERQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.O=C1CC(=O)N(c2cccc(-c3noc(=S)[nH]3)n2)c2ccc3ccccc3c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKYMVQPXXTZHSF-UHFFFAOYSA-N", "SMILES:O=C1CN=C(c2cccc(Br)c2)c2oc3ccccc3c2N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1532400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNKIJKRXKPQCC-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5182367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGCZCCOTJQHOLG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CNC(=O)c3ccc(F)cc3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLWZAFLGWIHDQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CNC(=O)c3ccc(Cl)cc3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBUWHLMHLJGEC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)NCc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZSPHGXFNDQNQQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPSOQDQPXSCNJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CNC(=O)c3ccc(F)cn3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZRXYZHUCBGNI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CNC(=O)c3ccc(F)nc3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTNGCABTNBXQS-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nc1CNC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCGRTINHAXTSGM-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nc1CNC(=O)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBPMYURRQJNGT-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nc1CNC(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYBNAGGLFLKME-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2cc(C(F)(F)F)c(CNC(=O)c3ccc(F)cc3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHPPXRZVKDOUPD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)cc3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDIHGXULUFVQH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)Cc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBAVEYJQEYBXOK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZZKYGKRMKAHK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)cn3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUMXUWXQSGSEJW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)nc3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVBGGFZESTJOD-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NC(=O)Cc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMPTGXGLBKCIM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)c(F)c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOKDBIUQATRHZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOWLQHZRGULJPS-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASZVFZPSYLRIT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)nc3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZYRVQIUOVJZBA-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTCHPQZRNWWNO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1)Nc1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMNMLROOGKPMCT-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1)Nc1ccc(F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKPJMWMFZSSCLJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)cc3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHWPKRPDSYTFNT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)cn3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLIJXOOIHRSQRB-JHJMLUEUSA-N", "SMILES:CC(O)c1cc(C(=O)N[C@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJABORXYWINGBT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1OCc1cn(CCNC(=O)C(CC(C)C)C(=O)NO)nn1"]}
{"name": "Collagenase ColH", "xref": ["CHEMBL.TARGET:CHEMBL4630869"], "id": "UniProtKB:Q46085", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1498"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYCBBBOWFXFHX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1OCc1cn(CCNC(=O)C(Cc2ccccc2)C(=O)NO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJBCYCWPLLYLPI-UHFFFAOYSA-N", "SMILES:O=C(O)CN(CC1c2ccccc2C=Cc2ccccc21)C(=O)NS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHYCREODMJPRFJ-UHFFFAOYSA-N", "SMILES:O=P(O)(O)c1nc2cc(Cl)c(Cl)cc2nc1P(=O)(O)O"]}
{"name": "Collagenase ColG", "xref": ["CHEMBL.TARGET:CHEMBL2268009"], "id": "UniProtKB:Q9X721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1498"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYHQFNAFQQBTC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nc(P(=O)(O)O)c(P(=O)(O)O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYERCXGGLKEADN-UHFFFAOYSA-N", "SMILES:O=P(O)(O)c1nc2ccc(-c3ccc(Cl)cc3)cc2nc1P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFXTEOZLBAELL-UHFFFAOYSA-N", "SMILES:CC(NC(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nnc(S)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEDGZRSPXUHWAW-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)CSC(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBJOQROPHCHERE-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)CS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODWJBBHPWLDMX-UHFFFAOYSA-L", "SMILES:CC(=O)c1ccc(NC(=O)CP(=O)([O-])[O-])cc1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLSKRTVTNIYCQV-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N2C(=O)CC(S)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWOIKYWYBNUXJC-UHFFFAOYSA-N", "SMILES:O=P(O)(O)c1nc2ccccc2nc1P(=O)(O)O"]}
{"name": "Collagenase ColQ1", "xref": ["CHEMBL.TARGET:CHEMBL5169213"], "id": "UniProtKB:B9J3S4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:361100"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRTUXZZAAFFWQX-UHFFFAOYSA-N", "SMILES:O=P(O)(O)c1nc2ccc(Cl)cc2nc1P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZPBBWWIDJKDB-UHFFFAOYSA-N", "SMILES:O=P(O)(O)c1nc2ccc(Br)cc2nc1P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSOXIIYRFNFIF-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(P(=O)(O)O)c(P(=O)(O)O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQPCRKIOKLRLRS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(OCc2cn(CCNC(=O)C(CC(C)C)C(=O)NO)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRXUSYRPWOOEW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCc2cn(CCNC(=O)C(CC(C)C)C(=O)NO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNJPHIYXJCMFI-UHFFFAOYSA-N", "SMILES:CC(C)CC(C(=O)NO)C(=O)NCCn1cc(COc2ccccc2F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJJWKNWXGRHJKE-UHFFFAOYSA-N", "SMILES:CC(C)CC(C(=O)NO)C(=O)NCCn1cc(COc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJLLLVQXVTHNY-UHFFFAOYSA-N", "SMILES:CC(C)CC(C(=O)NO)C(=O)NCCn1cc(CSc2ccccc2)nn1"]}
{"name": "Collagenase ColA", "xref": ["CHEMBL.TARGET:CHEMBL5169235"], "id": "UniProtKB:Q81BJ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226900"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUUCPJJDWEFCT-WWCFBHCMSA-N", "SMILES:C=C1/C(=C\\C=C(/CCCCCC(C)(C)O)c2cccc(CCCCCC(C)(C)O)c2)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXCFKOQLQAHBM-UHLYCMHWSA-N", "SMILES:C=C1/C(=C\\C=C\\c2cc(CCCCCC(C)(C)O)cc(CCCCCC(C)(C)O)c2)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213510", "category": ["biolink:ChemicalEntity"], "name": "PURFALCAMINE", "xref": ["InChIKey:KRCOMOOXOZSNAJ-AFARHQOCSA-N", "SMILES:N[C@H]1CC[C@H](Nc2nc(Nc3ccc(C(=O)N4CCCCC4)cc3)c3ncn(-c4cccc(F)c4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361708", "category": ["biolink:ChemicalEntity"], "name": "HYMENIALDISINE", "xref": ["InChIKey:ATBAETXFFCOZOY-DAXSKMNVSA-N", "SMILES:NC1=NC(=O)/C(=C2\\CCNC(=O)c3[nH]c(Br)cc32)N1"], "chembl_natural_product": true}
{"name": "Glycogen synthase kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL1781857"], "id": "UniProtKB:O77344", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPRSCHYTOJQFOV-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)c3ccc(C#N)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLXOBIMRFZEAE-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2c1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALNKZWZEELZRCE-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2ccc(Nc3nccc(-c4cc5ccccc5s4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPSRVFVQHUHDF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDLGIXSVKJOCG-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(Nc3nccc(-c4cc5ccccc5s4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXBRUAGZGVJWMM-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2ccc(Nc3nccc(-c4cc5ccccc5s4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONPDRWBMBBCBS-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCNC(=O)c2ccc(Nc3nccc(-c4cc5ccccc5s4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTDCEXITIQANM-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOCC1)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAVZKLARICYVSU-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWDBQBWLFNEOR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCCNC(=O)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPGYGXQLNJRQI-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOFKWJNMOAZTGW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nccc(-c3cc4ccccc4o3)n2)cc1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJOVJFBYVQOKKC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nccc(-c3ccc(Cl)c(Cl)c3)n2)cc1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDUTYIAVPOEOP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJUBLPCSJOYSF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nccc(-c3ccc(Cl)s3)n2)cc1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRSMZGOLUUNPT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2nccc(-c3ccc(COCC(F)(F)F)s3)n2)cc1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOAHIIPLVJOVHF-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)nc1-c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBRVCSXICWTJQC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(F)c(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVVJTDCOSRWTDU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(Cl)c(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAJVOVKXKLCPS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(Br)c(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUSXYTHXOGZIGI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(Nc3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)ncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPXHXHFVGHCCQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)nc1-c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKUPGRFEZHAPU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(Cl)c(-c3ccc(Cl)s3)n2)cc1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCGZLWCVWFYUTA-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOCC1)c1ccc(Nc2ncc(Cl)c(-c3ccc(Cl)s3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAOFNUOYZQPSPU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(Nc3ccc(C(=O)NCCCN4CCOCC4)cc3)ncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INEHYEUUIKCMDP-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMFRHPAXAUXKFK-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCTZGUDTLHFOU-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2nccc(-c3cc4ccccc4s3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRCKUQOKTZCIB-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Nc1nccc(-c2cc3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNWKNYGTGYXRO-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPOLFUDTFNOBFH-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nccc(-c3cc4ccccc4s3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFLJFVFWMXKAM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nccc(-c2cc3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDFEHZSEKJMTK-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nccc(-c3cc4ccccc4s3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFKXXDAYMBHOIX-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGKSNHUSKUVYHG-HCOONLMZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVFOOTMEXJIPIT-ZQZJLAJUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccccc2CSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPVZJDKFVQDGO-ZQZJLAJUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQLJCSENLHOPW-ZQZJLAJUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWUXCBIVLGSGOO-INFFCAIZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSSCC[C@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRKTERPLFQBDK-QVKFSNMJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2ccccc2CSCC[C@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQXFLRWJYDSTM-QVKFSNMJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2cccc(c2)CSCC[C@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSJMOWWRDXBJNA-QVKFSNMJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2ccc(cc2)CSCC[C@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZOXHHUQYQUKJB-KHKKPXNASA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPGSBWOMGALGM-WPTGWSDQSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSCc3ccccc3CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLFWMRTIVNJFP-WPTGWSDQSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSCc3cccc(c3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHQWWPLQKXGDH-WPTGWSDQSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSCc3ccc(cc3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTLWMHGSUOSHU-KHKKPXNASA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSc3c(F)c(F)c(c(F)c3F)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJERQRDKWIWHPW-RJVDFBNNSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSCCCSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HICQRDPLMADMBD-RJVDFBNNSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWAHHUIDLURNT-KHKKPXNASA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSC3=C(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNUQGRIALHGKEH-DYYKIGPLSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CS/C(C(=O)O)=C(/C(N)=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFHMXVIVJCDFY-KHKKPXNASA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(nn3)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRTHPANNFOMYJE-LPRGXNBOSA-N", "SMILES:C#CCCCCN1C(=O)C2=C(SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC3=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELCPNBKVBHNSN-FKYWRXLASA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSC/C(=N/OCC(=O)NCCOCCOCCOCCN=[N+]=[N-])CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXIBEMYOGWJEQC-HSTSIONXSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBTHAPYEEKFPSX-GFOHKEJPSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCOCCC(=O)O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXXYYAQEUNASC-MNUZRXMESA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCNC(=O)c3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKFOTUQRDIPQX-VKZYZYTJSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCNC(=O)OCC3C4CCc5nnn(CC(=O)N6CCCC[C@H]6C6(O)CN(C(=O)c7ccc(F)c(F)c7Nc7ccc(I)cc7F)C6)c5CCC43)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLNYXZHILRCGF-ALGWQCERSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APAIPJOPPUMQFD-UPVGRXCASA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLMVHMLMBIPZSW-XARWYCAGSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANDNDRFMFBRFD-INQXRFQDSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOUZVQWUHDUHCU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)OCc1cc(C)cc(COC(=O)Cn3cc(CCCCC(=O)Nc4nnc(S(N)(=O)=O)s4)nn3)c1OCc1ccc([N+](=O)[O-])cc1)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSPJEQBXIFKPD-FIMWSPJOSA-N", "SMILES:CNC(=O)N1N=C(c2ccc(N3CCN(C(=O)CCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)c2cc(OC)c(OC)cc2C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNQICXVXBBWBT-AEFFLSMTSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(C(=O)C2(C#N)CC2)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLEBCUSYSCBWKF-BZNIZROVSA-N", "SMILES:Cc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc(O[C@H]3CCOC3)c(O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKFFOOWORPUAJB-NVXWUHKLSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OC[C@H]1CN(C(=O)C2(C#N)CC2)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQBGXKOHLPMRQ-HIFRSBDPSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(C(N)=O)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAJMYKWDPRRDBI-AEFFLSMTSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(C(=O)C(C)(C)C)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMWPVQJXWQMKDA-QAPCUYQASA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(C(=O)C2COC2)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRYSMJZFNKLIF-WBVHZDCISA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(C(=O)OC2COC2)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWOJWNZJHSSQKH-QRQLOZEOSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXFHCYMGDZPICZ-AEFFLSMTSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(C(=O)c2ccnn2C)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNUGLHSNTDARIR-XLIONFOSSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(C(=O)c2cccnc2)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWUQGBVBMYWMBD-ZBFHGGJFSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(C)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONNIRFRDOTBOC-AEFFLSMTSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(C(C)C)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWSSGBFYYSLTH-ZBFHGGJFSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(CC(F)(F)F)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQSDCYBDQWGIF-WBVHZDCISA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(CC#N)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNBUCNKDMDMDFM-AEFFLSMTSA-N", "SMILES:COCCN1CCN2c3cc4c(N[C@H](C)c5cccc(C(F)F)c5F)nc(C)nc4cc3OCC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLPOLEHZPGJMOX-APWZRJJASA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(CC2COC2)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJIBGHIKCZGQE-AEFFLSMTSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN(c2ccnn2C)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYIZCRXODFSAX-NEWSRXKRSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OCC[C@H]1CN([C@H]2CCOC2)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQUGSNVIXYSKO-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c2oc3ccc(O)c(CN4CCC(F)CC4)c3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCLAVDQVXLANOP-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c2oc3ccc4c(c3c12)CN(C1CCCC1)CO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORWCEYAEWEEFV-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c2oc3ccc(O)c(CN4CCCCC4)c3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLJPQJPRIKHVOH-JTQLQIEISA-N", "SMILES:O=c1oc2cc(O)ccc2c2oc3ccc(O)c(CN4CC[C@H](F)C4)c3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYBDRAPWQBKOQO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)oc(=O)c1c2oc2ccc(O)c(CN3CCC(F)(F)CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRTOWLASFBNWJZ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c2oc3ccc4c(c3c12)CN(CC1CC1)CO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLMBQRBNPDCSS-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5206688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXUVGXTMKQYGZ-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFXPEBKEOLHEC-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFYVRAFMFBVHU-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFLMLAXCRIRQR-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(I)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWOAJWBDJIQDET-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKAQPZTYGFHYEX-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(NC(=O)Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL182746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGXOGPDBICRQF-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZLSUSRCCASLEX-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3cccs3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYYWKPCKCMFPD-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(F)s3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBLQELSTKFOIEW-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Br)s3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWULQLJZBBUPTO-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(I)s3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMIXZGJLWLQPME-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(Cn3c(C(=O)NC4CCN(C(C)C)CC4)cc4ccccc43)no2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITWDAFRKXUOIHI-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(-c2cc(Cn3c(C(=O)NC4CCN(C(C)C)CC4)cc4ccccc43)no2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQVCTSCVQLKIK-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLILOJMZFYFNN-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3cccnc3n2CC(=O)Nc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCTIETKJPBPXKY-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cccn2CC(=O)Nc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFZEONRZIUFGI-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2nc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKRAKQLRZOXQY-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3cccnc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRXAERHFVZMFRN-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2c3ccccc3nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRCBYLXCSNUGHJ-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cccn2Cc2cc(-c3ccc(Cl)s3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJDHVGZJKUARO-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2ccnn2Cc2cc(-c3ccc(Cl)s3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOLLDMJZUGNBM-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACYZUFAPVKBRZ-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQLTJJCIYSDCZ-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2nn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHPHBZMJYKGME-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2ccn(CC(=O)Nc3ccc(Cl)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYGCGNVDNXWNN-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPAWFCZBTMSZFU-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYNZHAWUVBMKBU-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)c3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMGDUXTYSDBGSY-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLGHKYQBCFBNA-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2ccn(Cc3cc(-c4ccc(Cl)s4)on3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSGEFSNRWNBAR-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2ccn(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNGWUFWIUWBOEK-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQZSJCBUMSLJKI-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2ccn(CC(=O)Nc3ccc(Cl)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQDDXDXVYQIHM-NAGRZYTCSA-N", "SMILES:Cc1cn([C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c2nc(N)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPLNPHARZAHER-XPWFQUROSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(I)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFGDEFIQBGBXIP-NAGRZYTCSA-N", "SMILES:Cc1cn([C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@H]3[C@H]2O)O[C@H]4n2cnc3c(=O)[nH]c(N)nc32)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVLAIQZWTIQXOL-FRZFILDFSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(C6CC6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGNISUNIWETND-LAMCKDNKSA-N", "SMILES:C#Cc1cn([C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@H]3[C@H]2O)O[C@H]4n2cnc3c(=O)[nH]c(N)nc32)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRXKRVXXOYRXIG-JIUDXVAXSA-N", "SMILES:CCCC#Cc1cn([C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@H]3[C@H]2O)O[C@H]4n2cnc3c(=O)[nH]c(N)nc32)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIPVHNFXGBUQO-RTZOWOBBSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6ccccc6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJLIAVJISSGMFR-ZNIDUGPUSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6ccc7ccccc7c6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPEYFLORMNSXDC-ZNIDUGPUSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6cccc7ccccc67)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDJOEADYGJCKQO-VVKUOYIHSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6ccc7c8c(cccc68)CC7)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWLIWSKMFJDEAA-NJVYLJTFSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6cc7ccccc7c7ccccc67)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCQPNZLZFAINN-YHOFCQOESA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6ccc(-c7ccccc7)cc6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFAYSQUXBCIDJM-NXVDNDCWSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBFLURMMWIAUJW-DANBCEJISA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6ccc(COc7cccc8ccccc78)cc6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVEYHVPOSVKJOI-INLCHHDGSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6ccco6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCRTYZRDKHDQX-KRSQEUQLSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6cccs6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AECKZQJFRQNFMA-DWVGVLABSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6cc7ccccc7o6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZELURKTJPNOEZ-CGZJSAOLSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6cc7ccccc7s6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCSILUXBZPSGBQ-ZLUZWUJJSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6cccc7c6oc6ccccc67)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRXVNBCEANCGW-RVTALPFISA-N", "SMILES:Nc1nc2c(c(-c3ccccc3)cn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6ccccc6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVVQHCDXSDCCL-XPWFQUROSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(I)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYXDZAPYYVTZPR-RTZOWOBBSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6ccccc6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETMLNCKWQOXLW-LAMCKDNKSA-N", "SMILES:Nc1ncnc2c1c(I)cn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]2[C@H]1O)O[C@H]3n1cc(I)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKICKMBMVUYJV-NJVYLJTFSA-N", "SMILES:Nc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]2[C@H]1O)O[C@H]3n1cc(-c2ccccc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVZQUMSQEGOYMX-UHFFFAOYSA-N", "SMILES:O=C1C(P(=O)(O)O)CCCN1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328944", "category": ["biolink:ChemicalEntity"], "name": "PHOSPHONOACETOHYDROXAMATE", "xref": ["InChIKey:LDKRAXXVBWHMRH-UHFFFAOYSA-N", "SMILES:O=C(CP(=O)(O)O)NO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5193347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJMQJOPXICRHCL-UHFFFAOYSA-N", "SMILES:O=C1C(P(=O)(O)O)CCN1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWBGDOPBYWJKZ-UHFFFAOYSA-N", "SMILES:O=C1C(P(=O)(O)O)CC(O)N1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBLYPMICKYZTP-UCORVYFPSA-N", "SMILES:C[C@]1(P(=O)(O)O)C[C@H](O)N(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBDHBSEJZUWDG-FSRHSHDFSA-M", "SMILES:C[n+]1ccc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cc2)cc1.[Cl-]"]}
{"name": "Calmodulin-like protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5169127"], "id": "UniProtKB:P27482", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHNGSMNQLSNODL-CQSZACIVSA-N", "SMILES:O=C1O[C@@H](CO)CN1c1ccc(-c2cccc(CO)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCRXPMBDQIKHD-GFCCVEGCSA-N", "SMILES:O=C1O[C@@H](CO)CN1c1ccc(-c2ccncc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMAUBLKVKZMTEM-FFXKMJQXSA-N", "SMILES:Cl.Cl.NCc1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236395", "category": ["biolink:ChemicalEntity"], "name": "TREHALOSE", "xref": ["InChIKey:HDTRYLNUVZCQOY-LIZSDCNHSA-N", "SMILES:OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Trehalose", ".alpha.,.alpha.-trehalose", "Cabaletta", "Mushroom sugar", "Mycose", "Trehalose", "NSC-2093", "Trehalose"], "chembl_natural_product": true}
{"name": "Trehalose-binding lipoprotein LpqY", "xref": ["CHEMBL.TARGET:CHEMBL5169230"], "id": "UniProtKB:P9WGU9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2097959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVPIXCUHSLXOOR-UHFFFAOYSA-N", "SMILES:Nc1cccnc1Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLPNJNFXYKHRL-KHPPLWFESA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)Nc1ccc(C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGABDRPNKQCGJ-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWMUXVWUHUNMI-QXMHVHEDSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMZUROGBNBCCPT-UHFFFAOYSA-N", "SMILES:Clc1cc2[nH]ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STVHMYNPQCLUNJ-UHFFFAOYSA-N", "SMILES:Brc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPEAZVAMEMXQHF-UHFFFAOYSA-N", "SMILES:N#CCc1c[nH]c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDOAIDRNPWUQBB-UHFFFAOYSA-N", "SMILES:N#CCc1c[nH]c2cc(Cl)c(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPIYPKMKTJJQST-UHFFFAOYSA-N", "SMILES:N#CCc1n[nH]c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHIVCKQKQCHPQ-UHFFFAOYSA-N", "SMILES:N#CCc1c[nH]c2cc(Br)c(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIFGJTPUCFFUJO-UHFFFAOYSA-N", "SMILES:N#CCc1n[nH]c2cc(Br)c(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAGVHGZPQSWXCE-UHFFFAOYSA-N", "SMILES:N#CCc1n[nH]c2cc(Cl)c(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCQQTBGANYHKI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nnc(Nc3ccc(Cl)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBNNOXAZLNXHIK-VNZHBOEZSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H]2NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N4CCC[C@H]4C(=O)NCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N3)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C(C)C)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJQRFXNTNLAISS-PTANJAINSA-N", "SMILES:CCCC[C@@H]1N[C@@H](CO)C(=O)NCC(=O)N[C@H]2CSSC[C@@H]3NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)CN)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)[C@H]([C@@H](C)O)NC3=O)C(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)N[C@@H](CCCC)C(=O)NC2=O)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOKCZWBEALCFGW-SALBZOQXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZAUAWNTRGYXBC-AJKZQGAHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL344760", "category": ["biolink:ChemicalEntity"], "name": "AMINOTHIAZOLE", "xref": ["InChIKey:RAIPHJJURHTUIC-UHFFFAOYSA-N", "SMILES:Nc1nccs1"], "synonym": ["Aminothiazole", "Aminothiazol", "Aminotiazol", "2-aminothiazole", "NSC-1900", "RP 2921", "RP-2921"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLUMBXGKFNNAS-UHFFFAOYSA-N", "SMILES:Nc1nnc(C2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1311331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTEUXHSAYOSFGQ-UHFFFAOYSA-N", "SMILES:Nc1nnc(C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1620353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHFUVBWCMLLKOZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLDUALXSYSMFB-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHCLXWELPFVFQ-UHFFFAOYSA-N", "SMILES:Nc1ncc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIBIQFJKUZZLLX-UHFFFAOYSA-N", "SMILES:Brc1cnc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJPZHYAYNAUKKA-UHFFFAOYSA-N", "SMILES:Cc1cnc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYTAWOGKXVXUBH-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2csc(Br)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYIFXLNIMPSKI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBIOWPDDZPIDP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(Br)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USFPNUKDRWXQAZ-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1ncc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOWHFUKXRPXFAQ-UHFFFAOYSA-N", "SMILES:COC(=O)C(=O)Nc1ncc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMSQZHBSTZZNGI-UHFFFAOYSA-N", "SMILES:Cc1nc(Br)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHDRDZMTEOIWSX-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVZKBCLSODNUDS-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPYDLLSSUPBFA-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc(Nc2cccc3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTBHWXNEMGNDC-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMRQKJSZGTJPN-UHFFFAOYSA-N", "SMILES:COC(=O)CC(=O)Nc1ncc(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURXRLNBHHPQCM-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NC(=O)CC(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLEYVGWAORGTIT-UHFFFAOYSA-N", "SMILES:Clc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBBZYVPKBIILN-UHFFFAOYSA-N", "SMILES:Cc1nc(CCl)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARJMJQRFEJVSTC-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1ccccc1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHXGYHPAVQQKDU-UHFFFAOYSA-N", "SMILES:NCCc1cn(Cc2cscn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBCRVIBTFHJLM-UHFFFAOYSA-N", "SMILES:Brc1nncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHFZEWZLCNRIRX-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1csc(Br)n1"]}
{"name": "14 kDa phosphohistidine phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL5169200"], "id": "UniProtKB:Q9NRX4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLGJLTSNMKQDSU-OZMHHCNCSA-O", "SMILES:NC(=O)c1ccc(N)[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1"]}
{"name": "6-phosphogluconate dehydrogenase, decarboxylating", "xref": ["CHEMBL.TARGET:CHEMBL5169141"], "id": "UniProtKB:P85968", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Glucose-6-phosphate 1-dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL5169110"], "id": "UniProtKB:P05370", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1324108", "category": ["biolink:ChemicalEntity"], "name": "6-AMINONICOTINAMIDE", "xref": ["InChIKey:ZLWYEPMDOUQDBW-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(N)nc1"], "chembl_natural_product": true}
{"name": "6-phosphogluconate dehydrogenase, decarboxylating", "xref": ["CHEMBL.TARGET:CHEMBL3404"], "id": "UniProtKB:P52209", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBJSCXURQDKLAR-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)OCOC(=O)c1ccc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLYZCAHFCYWOPR-UHFFFAOYSA-N", "SMILES:CCOC(=O)OCOC(=O)c1ccc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSDZUDHFUHSOV-UHFFFAOYSA-N", "SMILES:CC(OC(=O)OC1CCCCC1)OC(=O)c1ccc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFSARUWIKNAVTP-UHFFFAOYSA-N", "SMILES:CC(=O)OCOC(=O)c1ccc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULXIIBXGTRZOLR-UHFFFAOYSA-N", "SMILES:CCCC(=O)OCOC(=O)c1ccc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWXZEBSFPFTLX-UHFFFAOYSA-N", "SMILES:CCOC(=O)OC(C)OC(=O)c1ccc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCCLVCFBMRRKTR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIOEEGYVSPURR-UHFFFAOYSA-N", "SMILES:CC(C)(CO)c1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDRCSSHYOOAFFX-XLKPIIEESA-N", "SMILES:CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2C[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLUAWXQORJEMBD-YUMQZZPRSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL37752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIRNIBZTBBIHT-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2COCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRNAMGPYWFJMKJ-UHFFFAOYSA-N", "SMILES:Cc1oncc1NS(=O)(=O)c1ccc(F)c2ncc(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACCPLGNUKZAQJH-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)c1ccc(F)c2ncc(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQICFFGSDVNDQF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(F)c2ncc(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACCCHYEXHOPHW-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccccc1)c1ccc(F)c2ncc(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRPKOGHYBAVMW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(O)c2ncccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5200010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXVOISDYHKVFV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1cccc(Nc2nccc(Nc3ccc4[nH]ccc4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFVIDVQGTCQHKW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1cccc(Nc2nccc(Nc3ccc4cc[nH]c4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSDMRBWOSSAGLZ-UHFFFAOYSA-N", "SMILES:Cn1cc2ccc(Nc3ccnc(Nc4cccc(NC(=O)Nc5ccccc5)c4)n3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMIUEHYKGMAHV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2)c(-n2cccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPNOEAFWYTTEB-UHFFFAOYSA-N", "SMILES:CCn1c2ccccc2c2cc(CNC)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5188270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XANTUXCZEHFYSH-UHFFFAOYSA-N", "SMILES:CNCc1ccc2c(c1)c1ccccc1n2CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJFTEUXEMKNJL-UHFFFAOYSA-N", "SMILES:CN1CCC(N(C)Cc2cc(I)cc(I)c2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZUZDXSTWPMHFT-UHFFFAOYSA-N", "SMILES:CCN(CC)C1CCN(Cc2cc(C#CCNc3ccccc3)cc(I)c2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEBJATZOIHUGAU-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2c(C(=O)O)c(O)c(I)c(-n3cccc3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZUPWJVRWIVWEF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ncc(Cl)c(C(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1899934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXIJCAVZGBGUKM-UHFFFAOYSA-N", "SMILES:Cn1ncc(Br)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHZOIRIYYCZOEC-UHFFFAOYSA-N", "SMILES:COCn1nc(Br)nc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWFATJHHQXGCH-UHFFFAOYSA-N", "SMILES:COCn1nc(Br)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZXIXHKDJNBJQ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDANSQFEDVGJL-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(Cl)c1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZFPJJNNYJIWOL-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)n1nccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHAMWMKUYVFDJH-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(C(F)(F)F)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBPORVLOAPWZHK-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(C(=O)O)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1305072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXIFNAQYKUAOF-UHFFFAOYSA-N", "SMILES:Cc1nn(CC(=O)O)c(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBEKEFWBLFBSGQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)nc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWLHIOCWSARHW-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARIRGBBCOCBGU-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCYTQLXAIDJNF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKUOJWMEPATCW-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPMQEQMDPDITR-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)CC1c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXEWZVXIZVMFPT-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)CC1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDHDNKLRGIBVCU-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)CC1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHWSJQKXXZXRW-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)CC1c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPJBCZKXROZGU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C2CC(c3ccc(-c4ccccc4)cc3)=NN2C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUMLHPGTDXZDGY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(-c4ccccc4)cc3)=NN2C(C)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AACVKVMUDUPMQI-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)CC1c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXOTUGVPFHXUME-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)CC1c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVNBOQLTIAVWEN-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(C)cc2)CC1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILNYSOFQITFJL-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])CC1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSGWXOUQFWSGX-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(Br)cc2)CC1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSXGIIINPUXEHX-UHFFFAOYSA-N", "SMILES:COc1cc(C2=NN(C(C)=O)C(c3ccc(-c4ccccc4)cc3)C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLZQVIMZLHSRKM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(C)=O)C(c3ccc(-c4ccccc4)cc3)C2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMXSBYXJSPQEW-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C2=NN(C(C)=O)C(c3ccc(-c4ccccc4)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJBAGHKNSFEOS-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc3c(c2)OCO3)CC1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIQOIWQUKHBIG-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2cccc3ccccc23)CC1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMACFTQBTNAOOJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc3ccccc3c2)CC1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVYJCDRPPCFEQ-LXKDNNOJSA-N", "SMILES:C[C@@H]1CCCC[C@@H]1n1c(-c2ccc(/C=C(\\C#N)C(=O)N(C)C)o2)nc2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPABJHHKKJIDGX-JOCHJYFZSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGWSQGUVJUGIPF-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFTCTICPJPOVAI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)c1cc(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)c(C)c2cc(C#N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXVYCFLMSJUAJE-UHFFFAOYSA-N", "SMILES:Cc1c(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)cc(N(C)C(=O)CCl)c2ccc(C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NONZSDPDKFMLSC-RXFWQSSRSA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)CCl)c1ccc(-n2cccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOCNIZCHQOMFL-RXFWQSSRSA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)C(Cl)Cl)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFVRUVTYOGSOAR-GUOSAUPISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C/C=C(\\F)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXSYRAHYTOZOPD-DQKXXYJSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C/C=C(\\F)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDJGOHQYSBTRO-GUOSAUPISA-N", "SMILES:CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C/C=C(\\F)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPOKHPMWBDEANH-MFMYLMPHSA-N", "SMILES:CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C/C=C(\\F)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRQWLWZTKLOPSQ-ICXILOJFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C/C=C(\\F)[C@@H](N)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJVAKTSNKRZVJI-XRELOVPQSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)C/C=C(\\F)[C@@H](N)Cc2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBMRTYYSRNFCPC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2nc3ccccc3c3cc4ccccn4c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMBHDPFHGJHRK-UHFFFAOYSA-N", "SMILES:Cc1cccn2c1cc1c3ccccc3nc(-c3cc4ccccc4[nH]3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZEPGLZKKFWZKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccc3c3cc4c(C)cccn4c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPOCINZUGNPJOT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccc3c3cc4ccc(Br)cn4c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1592888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVHOQAKMCMIIM-FQEVSTJZSA-N", "SMILES:Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@@H](CN1CCOCC1)CO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5191451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJWCCGFDLGWEPL-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc2c(c1)OCO2)c1cc2c(F)cc(F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMPGAUFPGVOHG-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]c2c(Cl)ccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWTDPAOFEJHBAD-SADSOMEESA-L", "SMILES:O=c1ccn([C@@H]2O[C@H](COCc3cn(C(c4ccc(F)cc4)P(=O)([O-])[O-])nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUYWAJJBZATCPR-TWFWRPKGSA-L", "SMILES:O=c1ccn([C@@H]2O[C@H](COCc3cn(C(c4ccc(F)c(Oc5ccccc5)c4)P(=O)([O-])[O-])nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYIYTWNVOUBDEZ-CYLGQCRDSA-L", "SMILES:O=c1ccn([C@@H]2O[C@H](COCc3cn(C(c4cccc(OC5CCCC5)c4)P(=O)([O-])[O-])nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRTCELJMLQIFHV-TWFWRPKGSA-L", "SMILES:O=c1ccn([C@@H]2O[C@H](COCc3cn(C(c4cccc(Oc5ccccc5)c4)P(=O)([O-])[O-])nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIXZDUINLFVTF-SADSOMEESA-L", "SMILES:O=c1ccn([C@@H]2O[C@H](COCc3cn(C(c4cccc(OC(F)(F)C(F)F)c4)P(=O)([O-])[O-])nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLMMNKDCCSHASQ-IBWNSAFHSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](Cn3cc(C(O)c4cccc(Oc5ccccc5)c4)nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4117853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBAJBCBDTRWMDH-GHRYLNIYSA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@H](c3cccc(Oc4ccccc4)c3)P(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1"]}
{"name": "CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL3596074"], "id": "UniProtKB:Q11201", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACDBIJKZXKGOFW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(C(=O)Nc3cnn(C4CCC4)c3)cs2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTMBRMHZRXXHS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(C(=O)Nc3cnn(C4CCC4)c3)c2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZWAJULKPFHAGA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nccc(C(=O)Nc3cnn(C4CCC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXXASKVFUUZJT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(C(=O)Nc3cnn(C4CCC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHMXWJWNZSMEC-IYBDPMFKSA-N", "SMILES:Cc1cnc(N2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)c1cccc(-c2cnn(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACPZEELFGRNYMY-OKILXGFUSA-N", "SMILES:C[C@@H]1CN(c2cc(NC(=O)c3cccc(-c4cnn(C)c4)n3)c(C(F)(F)F)cn2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTCIOWVELAJLF-UHFFFAOYSA-N", "SMILES:COC1CN(c2cc(NC(=O)c3cccc(-c4cnn(C)c4)n3)c(C(F)(F)F)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDQWWZCYXKWWON-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(C(=O)Nc3cc(N4CC(O)C4)ncc3C(F)(F)F)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKWHAZRUFATPE-DIFFPNOSSA-N", "SMILES:C[C@@H]1[C@@H](O)CN1c1cc(NC(=O)c2cccc(-c3cnn(C)c3)n2)c(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGBWKVTGDJMAI-KZULUSFZSA-N", "SMILES:C[C@@H]1[C@H](O)CCN1c1cc(NC(=O)c2cccc(-c3cnn(C)c3)n2)c(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJKUINEFTUSOV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(C(=O)Nc3cc(N4CC5(C(C)(C)O)CC4C5)ncc3C(F)(F)F)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRUGRNBEPWHFW-OAHLLOKOSA-N", "SMILES:Cn1cc(-c2cccc(C(=O)Nc3cc(N4CC[C@@H](C(C)(C)O)C4)ncc3C(F)(F)F)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYLNQMEAHCYTE-HNNXBMFYSA-N", "SMILES:C[C@H]1CN(c2cc(NC(=O)c3cccc(-c4cnn(C)c4)n3)c(C(F)(F)F)cn2)CCN1C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPSNQHGCEYRORJ-MRXNPFEDSA-N", "SMILES:Cc1nc(NC(=O)c2cccc(-c3cnn(C)c3)n2)cc(N2CC[C@@H](C(C)(C)O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNRCXZCFCYFZQN-OAHLLOKOSA-N", "SMILES:Cn1cc(-c2cccc(C(=O)Nc3cc(N4CC[C@@H](C(C)(C)O)C4)cnc3C(F)(F)F)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFHHFNYSUNIIMQ-QGZVFWFLSA-N", "SMILES:CC(C)(O)[C@@H]1CCN(c2cnc(C(F)(F)F)c(NC(=O)c3cccc(-c4cnn(C5CCC5)c4)n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONZFJXAFBPQUIU-MRXNPFEDSA-N", "SMILES:CCn1cc(-c2cccc(C(=O)Nc3cc(N4CC[C@@H](C(C)(C)O)C4)cnc3C(F)(F)F)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIDUHXOZVXHEI-GOSISDBHSA-N", "SMILES:CC(C)(O)[C@@H]1CCN(c2cnc(C(F)(F)F)c(NC(=O)c3cccc(-c4cnn(CC5CC5)c4)n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDHCLVFMADHPEQ-QGZVFWFLSA-N", "SMILES:CC(C)(O)[C@@H]1CCN(c2cnc(C(F)(F)F)c(NC(=O)c3cccc(-c4cnn(CC5(C(F)(F)F)CC5)c4)n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFKKWZVCSJUTOA-OAHLLOKOSA-N", "SMILES:CC(C)(O)[C@@H]1CCN(c2cnc(C(F)(F)F)c(NC(=O)c3cccc(-c4cnn(CC(F)(F)F)c4)n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCABRSGOYONOEJ-MDZDMXLPSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSDDAHHKDAWMQ-VAWYXSNFSA-N", "SMILES:C/C(=C\\[N+](=O)[O-])c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCCIFBDWORXQRM-ZHACJKMWSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOKGFBCWSFFLL-ZHACJKMWSA-N", "SMILES:O=[N+]([O-])/C=C/c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSKJBKQUGIFRGF-ZHACJKMWSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(OCc2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBMDILDMJAPDU-MDZDMXLPSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(OCc2ccccc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5196367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISFTPLXGNSVDF-MDZDMXLPSA-N", "SMILES:COc1ccc(COc2cccc(/C=C/[N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPZNYFVGAACKOW-CMDGGOBGSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(OCc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIFBSCSDNJMVTE-CMDGGOBGSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(OCc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTSVDLHGHLHNGL-VOTSOKGWSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGNWKDGSQDJBSA-MDZDMXLPSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDDLDNOJJFVOSD-BQYQJAHWSA-N", "SMILES:CCCCOc1cccc(/C=C/[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTHNMIVZEJWQMV-RMKNXTFCSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(OCc2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHQIZIUGSVBDM-VQHVLOKHSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(OCc2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHFXBOCIVKPDT-CMDGGOBGSA-N", "SMILES:CCOC(=O)c1ccc(COc2cccc(/C=C/[N+](=O)[O-])c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRXXDBOJPXMLN-CMDGGOBGSA-N", "SMILES:CCCOC(=O)c1ccc(COc2cccc(/C=C/[N+](=O)[O-])c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUNGJAPMAWGRB-MDZDMXLPSA-N", "SMILES:CCCCOC(=O)c1ccc(COc2cccc(/C=C/[N+](=O)[O-])c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVSUKZPJMSSNJ-VQHVLOKHSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(Oc2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKFMFNDRXJZJBV-VMPITWQZSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(Oc2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCSBTFSMATOQR-GQCTYLIASA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(Oc2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKECEPHCYVFFOW-VQHVLOKHSA-N", "SMILES:O=C(Nc1ccccn1)c1cccc(/C=C/[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVUIBJPWGTRGS-VQHVLOKHSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(Nc2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWVIDUFVZVAJDO-SOFGYWHQSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(Nc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLJPSJNRQYOGQ-VMPITWQZSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(Nc2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHYLNXKQZCIXND-CSKARUKUSA-N", "SMILES:CN(C)c1ccc(/C=C/[N+](=O)[O-])cc1Nc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMWTNUZGRPLNU-VQHVLOKHSA-N", "SMILES:O=[N+]([O-])/C=C/c1cccc(-c2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXXGBQLQQBKIJO-UHFFFAOYSA-N", "SMILES:O=C(CS)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1993867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLVKRCGYGJZXFK-UHFFFAOYSA-N", "SMILES:O=C(CS)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWEROQPLZVORDW-UHFFFAOYSA-N", "SMILES:O=C(CS)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWPXOOPPHUNGN-UHFFFAOYSA-N", "SMILES:O=C(CS)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRMJASBUKNCAPI-UHFFFAOYSA-N", "SMILES:O=C(CS)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBOSLXNNWWFEN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIAYBYJXZBQDD-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CS)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLDODKDSYUJVAK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVCBNLRTZSKJW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFYBAJFPOCOWJR-UHFFFAOYSA-N", "SMILES:O=C(CS)Nc1ccc(CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCGYRTZHNNMNK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STBUGZUCMIZKQE-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)c(C)c1NC(=O)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1405259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTANEZCZKUQCM-UHFFFAOYSA-N", "SMILES:NC(=O)SCC(=O)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJXIBAQYWKHJTD-UHFFFAOYSA-N", "SMILES:NC(=O)SCC(=O)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUXDOWGVBEMAB-UHFFFAOYSA-N", "SMILES:NC(=O)SCC(=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1330520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIDTKZUDKHDGA-UHFFFAOYSA-N", "SMILES:NC(=O)SCC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGANTMJTUBRJGJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CSC(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMFKAPYZBVUXHC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSC(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUCSOIGADMBWPJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSC(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279786", "category": ["biolink:ChemicalEntity"], "name": "BATIMASTAT", "xref": ["InChIKey:XFILPEOLDIKJHX-QYZOEREBSA-N", "SMILES:CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO"], "synonym": ["Batimastat", "Batimastat", "BB-94", "BB94", "Batimastat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANAUZAZPUGQDNM-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)[nH]c(CSc3ncccn3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYAVGZOEYLNVKI-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc2c(=O)[nH]c(CSc3ncccn3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLILESBBKKTIC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2nc(CSc3ncccn3)[nH]c(=O)c2c1"]}
{"name": "Protein mono-ADP-ribosyltransferase PARP4", "xref": ["CHEMBL.TARGET:CHEMBL6142"], "id": "UniProtKB:Q9UKK3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMJTVGZJZKICB-UHFFFAOYSA-N", "SMILES:Cc1cc(I)cc2c(=O)[nH]c(CSc3ncccn3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJWMVNXWLHJSN-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc2c(=O)[nH]c(CSc3ccc(C(=O)O)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSRNPRNJYLDFIC-UHFFFAOYSA-N", "SMILES:Cc1cc(I)cc2c(=O)[nH]c(CSc3ccc(C(=O)O)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXOUXWROPRZGO-UHFFFAOYSA-N", "SMILES:CC#Cc1cc(C)c2nc(CSc3ncccn3)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPOQOSJMDTZFOR-LBPRGKRZSA-N", "SMILES:N#CN1CC[C@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICEKJWVSDFOADH-AWEZNQCLSA-N", "SMILES:C#Cc1ccc(-c2cnc(NC(=O)[C@H]3CCN(C#N)C3)s2)cc1"]}
{"name": "Glutamine amidotransferase-like class 1 domain-containing protein 3, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5169114"], "id": "UniProtKB:P0DPI2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTPRCINSCCSMDO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXPROXOSQAADD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXWVSBPZKIOAKM-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BURCUJYAYFUDGS-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZGZADRFKHDVHC-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBRYOPJFNWOYIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CCCN2CCC(O)(c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNWZTYGZWGVAGX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)CCCN2CCC(O)(c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVQDKTZPRPEQHB-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYMYKSQYENQHMB-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJABKUPOSGJZEF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CCCN2CCC(O)(c3ccc(Br)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL59213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTNFBDLVWOHKM-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(O)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82519", "category": ["biolink:ChemicalEntity"], "name": "PRIMAPERONE", "xref": ["InChIKey:LUKOGYUKYPZBFP-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCCCC1)c1ccc(F)cc1"], "synonym": ["Primaperone", "Primaperona"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTKWZVTJXGKIH-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOAIEYYEDSORG-UHFFFAOYSA-N", "SMILES:CC(=O)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFAKKXXBFDZOI-UHFFFAOYSA-N", "SMILES:CC1CC(C)CN(CCCC(=O)c2ccc(C(C)(C)C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIHPRCBTJDZTL-UHFFFAOYSA-N", "SMILES:Fc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFRIGIOEPKUGIU-UHFFFAOYSA-N", "SMILES:CC1CC(C)CN(CCCOc2ccc(F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRDPVUWSFRGMI-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRQHQQCLDBHAID-VJHPJELWSA-E", "SMILES:CCCCCCCCO[C@H]1O[C@@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]4OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]3OS(=O)(=O)[O-])[C@@H]2OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIMLGCBRZXFYKF-VJHPJELWSA-E", "SMILES:CCCCCCCCO[C@H]1O[C@@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]4OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]3OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]2OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZDPKYGZZABUOE-FSLKYBNLSA-N", "SMILES:CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZDPKYGZZABUOE-CDGRTYJPSA-N", "SMILES:CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWHVHOHFMSBJIG-CABCVRRESA-N", "SMILES:CCOC(=O)[C@H](Cc1c(O)cc(C)c2c(O)c3c(cc12)[C@@H](O)CCC3=O)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWHVHOHFMSBJIG-GJZGRUSLSA-N", "SMILES:CCOC(=O)[C@@H](Cc1c(O)cc(C)c2c(O)c3c(cc12)[C@@H](O)CCC3=O)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5202358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWDKMPKPDWUPNA-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)c1ccccc1-n1c(=O)[nH]c2ccccc2c1=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5171905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDUJLKUKCIWBBG-LBXVMSDZSA-N", "SMILES:CCOC(=O)[C@]1(Cc2ccccc2)OC(=O)C(O)C1c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQQBQNOATCLNST-JYPDZDFGSA-N", "SMILES:CC(C)=CCc1cc(C[C@@]2(CC=C(C)C)OC(=O)C(O)C2c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYQAMKORCXLVBT-ZHAMERGFSA-N", "SMILES:CC(C)=CCc1cc(C[C@@]2(C(=O)O)OC(=O)C(OC(C)(C)[C@@H](O)Cc3cc(C[C@@]4(C(=O)O)OC(=O)C(O)=C4c4ccc(O)cc4)ccc3O)=C2c2ccc(O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAORIHXSHCJBDC-LOOAYGQTSA-N", "SMILES:C[C@H]1CN2C(=O)[C@]34Cc5c([nH]c6c7c(ccc56)OC(C)(C)CC7=O)C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)N4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMBHHACIBLLTO-ZETCQYMHSA-N", "SMILES:COc1cc2c(c(O)c1CO)C(=O)OC[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5207978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUHPJCXENHMHHQ-ZOYAPWFGSA-N", "SMILES:CC(=O)C[C@@]1(O)C(=O)C2=C3O[C@H](C)C(C)(C)[C@]3(O)C(=O)c3c(C)cc(O)c(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUHPJCXENHMHHQ-QUKVIPBPSA-N", "SMILES:CC(=O)C[C@]1(O)C(=O)C2=C3O[C@H](C)C(C)(C)[C@]3(O)C(=O)c3c(C)cc(O)c(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTILUGQMUZBHBH-GZDNXMLJSA-N", "SMILES:COC(=O)[C@@]1(C(=O)C(C)=O)C(C)=C(C)C=C2[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5198825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFAUXFPXVJESNQ-UKWKPLJPSA-N", "SMILES:CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@]1(C)C[C@H]2C3=C4[C@@H](C=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]31C)[C@H](C(=O)O)[C@H]2C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFAUXFPXVJESNQ-ZBGAJJCASA-N", "SMILES:CC(C)[C@@H](C)/C=C\\[C@@H](C)[C@@]1(C)C[C@H]2C3=C4[C@@H](C=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]31C)[C@H](C(=O)O)[C@H]2C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNEJSHNDABUZNY-UJNHCCGESA-N", "SMILES:CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC([C@@H](O)c4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKVQMFONHHNMZ-HUESYALOSA-N", "SMILES:Cc1c(S(C)(=O)=O)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802151", "category": ["biolink:ChemicalEntity"], "name": "PELCITOCLAX", "xref": ["InChIKey:QIOCQCYXBYUYLH-YACUFSJGSA-N", "SMILES:Cc1c(S(C)(=O)=O)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(C(=O)OCCCP(=O)(O)O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C(C)C"], "synonym": ["Pelcitoclax", "Apg-1252", "Pelcitoclax", "APG1252"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYPSLHCWSPLIO-UMSFTDKQSA-N", "SMILES:N#Cc1ccc(CN2Cc3c(cc(Br)c(OCc4ccc(-c5ccccc5)cc4)c3Br)C[C@H]2C(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYOOEVFJWLBLKF-HOTGVXAUSA-N", "SMILES:CCN(CC)C[C@@H](O)CNc1ccc(NC[C@H]2CO2)c2c1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXJULKGMXJVGI-XIFFEERXSA-N", "SMILES:O=C(c1cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n2c1CCCC2)N(c1ccccc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3701382", "category": ["biolink:ChemicalEntity"], "name": "VOB-560", "xref": ["InChIKey:VNNWQLOUMFCVJD-XIFFEERXSA-N", "SMILES:Cc1c(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C"], "synonym": ["Vob-560", "Vob560", "S-65487", "S65487"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGMIIUUZOKFLS-INIZCTEOSA-N", "SMILES:CCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXGXKMDAAOWHLR-MRXNPFEDSA-N", "SMILES:CCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBDJEBKHQXECK-IBGZPJMESA-N", "SMILES:CCCCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXALYBYKXYUIQ-AWEZNQCLSA-N", "SMILES:CCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWADXHYJAZPAX-OAHLLOKOSA-N", "SMILES:CCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYARCJMQMAFMTG-KRWDZBQOSA-N", "SMILES:CCCCn1nc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPWYYZDLRQBMA-AWEZNQCLSA-N", "SMILES:CCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)C)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPONYQLKCUMSK-CQSZACIVSA-N", "SMILES:CCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZNMVWRFLDSIK-SFHVURJKSA-N", "SMILES:CCCCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLPUCIBZGBWJW-HNNXBMFYSA-N", "SMILES:CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)C)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDZHLYBDQFZWCJ-OAHLLOKOSA-N", "SMILES:CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCVWHCZZMRYGLH-IBGZPJMESA-N", "SMILES:CCCCCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJXRRZPANCDKRI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCO)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXEBJDZBJLDKFQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCO)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTYSUGIUDFZKOL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCOCCO)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SODSUQBLVLJWOK-UHFFFAOYSA-N", "SMILES:CNC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPIQPMBTAMCKCV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)N(C)C)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYUAPGFCPSXGDT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCc3cccnc3)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTLYWHETNSNMZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGOORSWZZXLTQD-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFIZOZFFIDQLGK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJDAJDMXOTKLL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3O)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJIBWCCRRCRNJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccc(O)cc3)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBAHZCEEIGILM-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIKEOXRYGZUBQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVJNVFFXFHFQRV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSWXCMOGRCEGQE-PEFDPPPMSA-N", "SMILES:C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=C(F)F)CC[C@@]3(O)[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRCHVYDBCZJHIT-WUHBCXKYSA-N", "SMILES:Oc1ccc2c3c1O[C@H]1C(=C(F)F)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXYLVJHFJKDHRM-NSCUHMNNSA-N", "SMILES:COc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFTZKGMDDZMJI-QHCPKHFHSA-N", "SMILES:CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5188231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBWVZGKOJYNSAN-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(C(=O)Nc3ccc(CC(=O)Nc4ccc(NC(=O)C5CC5)nc4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXPIMSXZFISNU-BYASVTKKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2cccc(OCCCOCC(=O)N3CCN(c4cc(Nc5ncc(C(=O)Nc6c(C)cccc6Cl)s5)nc(C)n4)CC3)c2)cs1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVDGQVSHRVZMV-VVTOKWPGSA-N", "SMILES:[N-]=[N+]=NCCCCCCCCN1[C@@H]2[C@@H](CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]21"]}
{"name": "Alpha-L-iduronidase", "xref": ["CHEMBL.TARGET:CHEMBL5169131"], "id": "UniProtKB:P35475", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKXYKNLAPKFAH-QTLMPOPVSA-N", "SMILES:[N-]=[N+]=NCCCCCCCCN1[C@@H]2[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAAPZIFCQQQKX-UHFFFAOYSA-N", "SMILES:CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAAPZIFCQQQKX-MUUNZHRXSA-N", "SMILES:CC1=C(c2cccc(O)c2)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGMBSNOWSMURK-MHZLTWQESA-N", "SMILES:CC1=C(c2cccc(O)c2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIFNNQKPDNXNTJ-MHZLTWQESA-N", "SMILES:CC1=C(c2ccc(F)cc2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVXLTGRHKNTTMZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(COc2ccc(C3CN(C(=O)c4cc(OCCO)ccn4)C3)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMOMYFZWGUZCHB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2ccc(N3CCNCC3)nc2)cc(C(=O)NCc2c(CC)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHJLMVBYELJCLC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(Br)c3c(c2C)OC(C)(C2CCC(N(C)C)CC2)O3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSDRNUPMYCFXGM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(Cl)c3c(c2C)OC(C)(C2CCC(N(C)C)CC2)O3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBQYYXDCPRZITN-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(C)CC3)cc2)cc(C(=O)NCc2c3c(c(C)[nH]c2=O)CCCC3)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZAYCVHJDOWSNY-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C(=O)NCc2c3c(c(C)[nH]c2=O)CCCC3)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3909511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRDQQHUKUIKFHT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMYDGZPZCSJMJS-QGZVFWFLSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1cccc2c1cc(C)n2[C@H](C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWAEAQGDHLXKV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cnn(-c3ccccc3)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXHNAHCLYNHLKP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(C)n(-c3cccc(N4CCOCC4)c3)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQVVWAFDMSKJI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(C)n(-c3cccc(N4CCCCC4)c3)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAGRCJKPUFIOP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1nn(C(C)c2ccccc2)c(C)c1C(=O)NCc1c(C)cc(C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRNALVBPNPCDM-UUWRZZSWSA-N", "SMILES:CCN1CCN(c2ccc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c4c3O[C@](C)(CN3CCOCC3)O4)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZGMFRKSDLXXKV-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(N)ccc3c(N(C)CCCN(C)c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1999446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMYHMGBFVARON-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1C1OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWBVMVLKSBTKF-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1nc(-c2c[nH]c3ccccc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYGMEDLQFUDRB-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)c2ccccc12)Nc1ncccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBKHHQCWPKMAPD-OUKQBFOZSA-N", "SMILES:O=C1N=C(N2CCCCC2)S/C1=C1/C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACWYDLGURAYJKI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cn1)c1[nH]ncc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMQTQKDSJIHLY-UHFFFAOYSA-N", "SMILES:COCC(=O)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUFQQVSCNCLUFL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CO)CC4)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJLXHVTYLQEHAM-YOFIQYCBSA-N", "SMILES:O=C(N[C@@H]1CCCC[C@@H]1C(=O)O)C1C=NN2C(O)=CC(c3ccccc3)=NC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231160", "category": ["biolink:ChemicalEntity"], "name": "MEMOQUIN", "xref": ["InChIKey:VPXVPJQOPRBXPO-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)Cc2ccccc2OC)=CC1=O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZGXSZYVAXOGJ-FBMGVBCBSA-N", "SMILES:CCN(CCCCOc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1OC)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592752", "category": ["biolink:ChemicalEntity"], "name": "MARITUPIRDINE", "xref": ["InChIKey:IBUHDDLETPJVGP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1"], "synonym": ["Maritupirdine", "Maritupirdine", "Maritupirdina", "AVN-101", "AVN-101 FREE BASE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWOPIJFNGNHCIL-UHFFFAOYSA-N", "SMILES:C=C(Cc1ccccc1Cl)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPYBCQHBOPOGK-UHFFFAOYSA-N", "SMILES:NC1=NC(c2ccc(F)cc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHBPRCBDKOCSK-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVERBUNNCOKGNZ-CQSZACIVSA-N", "SMILES:Cc1ccc(N)cc1C(=O)N[C@H](C)c1cccc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5077800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCUCLKWBHWYCEZ-MRXNPFEDSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPUADOXTPMTON-MRXNPFEDSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGALISXJEIZOHZ-FKSKYRLFSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(C(=O)NCC3CCO3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXWDWBHDSNJNP-DVECYGJZSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN3CC[C@H](O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXWDWBHDSNJNP-NTKDMRAZSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN3CC[C@@H](O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZRRCGQQCZGHEA-AUSIDOKSSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@@H]3CCOC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZRRCGQQCZGHEA-XXBNENTESA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CCOC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQBBSZKREYGYRQ-CJFMBICVSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC[C@H]3CCCO3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVFCZXMGASAGI-OAHLLOKOSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(C(=O)O)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFQSYTCHYSNACR-MRXNPFEDSA-N", "SMILES:COC(=O)c1ccc(-c2cccc([C@@H](C)NC(=O)c3cc(NC4CNC4)ccc3C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVYCVBUHQMNRZ-FMGIXGHUSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC3CCC(O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOTUFJPCITWJHW-QGZVFWFLSA-N", "SMILES:CC(=O)NCc1ccc(-c2cccc([C@@H](C)NC(=O)c3cc(NC4CNC4)ccc3C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFWQGKLIEDRSFG-YDONVPIESA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC3CCNC3=O)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVYCVBUHQMNRZ-QNIAMRLHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@@H]3CC[C@H](O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVYCVBUHQMNRZ-OPJGWUQDSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@@H]3CC[C@@H](O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVYCVBUHQMNRZ-RZTXVSJASA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CC[C@@H](O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVYCVBUHQMNRZ-WPWBMXPQSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CC[C@H](O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSFEVIQKXHKSE-QGZVFWFLSA-N", "SMILES:Cc1ccc(N(C)C2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSVZTQWKOOLMW-MRXNPFEDSA-N", "SMILES:Cc1ccc(N(C)C2CNC2)cc1C(=O)N[C@H](C)c1nccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTDZHTFBLCBKHG-GOSISDBHSA-N", "SMILES:Cc1ccc(NC2CCNCC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSXTJOTPOFHOD-LJQANCHMSA-N", "SMILES:Cc1ccc(NC2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXFKLPOAIIFGF-GOSISDBHSA-N", "SMILES:Cc1ccc(NC(=O)C2CCNCC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAXSCGPKPFZCKX-GOSISDBHSA-N", "SMILES:CCCCC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJFETCLZITVFG-MRXNPFEDSA-N", "SMILES:C=CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBDGNTYRQIIGV-CQSZACIVSA-N", "SMILES:Cc1ccc(NC(=O)NC(N)=O)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZKAAMIIYHIWQM-GOSISDBHSA-N", "SMILES:Cc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWWWRIKRGFOFG-GOSISDBHSA-N", "SMILES:CCCCNC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMZHCJVSWBFGZ-UHFFFAOYSA-N", "SMILES:Nc1cc(C(=O)Nc2cccc3ccccc23)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLRRMRWAUVOLNY-CQSZACIVSA-N", "SMILES:Cc1cc(N)ccc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQQBSYXOCHDCF-MRXNPFEDSA-N", "SMILES:Cc1ccc(N(C)C)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYXPEQSSPMCKE-OAHLLOKOSA-N", "SMILES:Cc1cc(NS(C)(=O)=O)ccc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFPSKKEWQQCPW-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBVNPGFLGTFGQ-CYBMUJFWSA-N", "SMILES:C[C@@H](NC(=O)c1ccccc1Cl)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVQXWEVAZLWHSL-CYBMUJFWSA-N", "SMILES:Cc1ccsc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLKNRAMNVBQDLU-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1Cl)N(C)Cc1cc(O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSYBQNONNHRRHN-CYBMUJFWSA-N", "SMILES:Cc1ccccc1[C@@H](C)N(C)Cc1cc(O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INQBSWTWTZQUKW-MRXNPFEDSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLYFTCFUSIWJTL-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKQKRKDBQBKZJK-MRXNPFEDSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHRVFZVHTPPDPA-MRXNPFEDSA-N", "SMILES:Cc1ccc(O)cc1CN(C)[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XADAWGUAPGUBOK-MRXNPFEDSA-N", "SMILES:Cc1cc(O)ccc1CN(C)[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHXKRBOGEMMRIP-CQSZACIVSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPTIUNIIOQTAIK-OAHLLOKOSA-N", "SMILES:COc1cc(O)ccc1CN(C)[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDCCGGIBUYGMIS-MRXNPFEDSA-N", "SMILES:Cc1ccc(N)cc1CN(C)[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTKMDZKABQMHI-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJTWGMHOQKGBDO-GOSISDBHSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQRGVYYHRJBSOR-LJQANCHMSA-N", "SMILES:CC(=O)Nc1cccc(CNC(=O)C2CCN([C@H](C)c3cccc4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMIABLSMKGWQKD-GOSISDBHSA-N", "SMILES:COc1cc(CNC(=O)C2CCN([C@H](C)c3cccc4ccccc34)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMLHDTHHBGXPOE-GOSISDBHSA-N", "SMILES:CC(=O)Nc1cc(F)cc(CNC(=O)C2CCN([C@H](C)c3cccc4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBYCYRKKJABQD-LJQANCHMSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCC2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYHAFDTVTFIRDG-OAQYLSRUSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2cccc(NC(=O)CN(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGUPRCIMMSRGE-HSZRJFAPSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2cccc(NC(=O)N3CCN(C)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQDVXCWTNYLOEE-HXUWFJFHSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2cc(F)cc(NC(=O)CN(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGUISYSWQQIAHK-JOCHJYFZSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2cc(F)cc(NC(=O)N3CCN(C)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLFSXFVGSNSUSC-FGUOTCRGSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVUJYZOJXEOJT-UBBOFEIVSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C(=O)NCCOCCOCCOCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGKGKMMEZQJLZ-KUHHYWQOSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C(=O)NCCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDOLWAZQPDHSE-VBLANHJESA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(CNC(=O)CCCCOCCCCOCCCCOc5cc(-c6scnc6C)ccc5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5Cc6ccccc6C5=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJXOZINZBWONV-OREMWAAOSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C(=O)NCCOCCOCCOCCOc5cc(-c6scnc6C)ccc5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5Cc6ccccc6C5=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMSXAAVBHMNSD-KVUAUASYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(CNC(=O)CCCCOCCOCCOCCOc5cc(-c6scnc6C)ccc5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5Cc6ccccc6C5=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXHSEQWGIQPAF-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1-c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL320007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTYWSXJWHDMBM-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUAKOOBLOIHYIA-UHFFFAOYSA-N", "SMILES:Cc1cc([N+](=O)[O-])ccc1-n1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJKBMBPPLNOFMB-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBUVKSCWGSYGZ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1-c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1729965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFRCTDKVBCHTRU-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFWBIRUGUBYWQD-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXSNHHLIVJTORF-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCSc1nnc(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAORJRSXHFCAQC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCCSc1nnc(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRKQERNKJOMALL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCc4ccc(C(F)(F)F)cc4)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUGLQFAOIBQKS-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCc4cccc(C(F)(F)F)c4)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJFJIZGDMDDMN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCc4ccccc4C(F)(F)F)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2169921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDVDLEPVLVTECB-XAGPSQNTSA-N", "SMILES:N[C@@H]1C[C@H]1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5029010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRMVYTYDOLCRU-DLBZAZTESA-N", "SMILES:Cn1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297641", "category": ["biolink:ChemicalEntity"], "name": "SECLIDEMSTAT", "xref": ["InChIKey:MVSQDUZRRVBYLA-HYARGMPZSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1cc(Cl)ccc1O"], "synonym": ["Seclidemstat", "Seclidemstat", "Sp-2577", "SP-2577", "SP2577", "Seclidemstat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781751", "category": ["biolink:ChemicalEntity"], "name": "IADADEMSTAT", "xref": ["InChIKey:ALHBJBCQLJZYON-ZQDZILKHSA-N", "SMILES:N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC1"], "synonym": ["Iadademstat", "ORY-1001", "RG-6016"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUMZXEVHBYNITP-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)C(C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXWLMGBGVFHOC-UHFFFAOYSA-N", "SMILES:COc1cc(Br)c(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOXYYSWDFMJDKY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NS(=O)(=O)c2ccc(Br)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIRTFRWSBERPI-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cn(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIRQYEZIEMPGCU-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cn(-c2ccccc2-c2nc(-c3ccc4ccccc4c3)c(-c3ccccc3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAIBURXAPRUOHH-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cn(-c2ccccc2-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDKFVUMBOURBP-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCCNC(=O)c4ccccc4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLOCTWQVRMKBP-FWRNGJKFSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NCCCNCCCCNC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJUCATLSLKCIIQ-FHCMORQDSA-N", "SMILES:O=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)NCCCNCCCCNC(=O)CCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNCYQXACGFLAU-FHCMORQDSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)NCCCNCCCCNC(=O)CCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFDVWJCSCYDRMZ-DZPBDQTJSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C\\c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5188909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULPPFCRBINTBS-AWEZNQCLSA-N", "SMILES:CC(C)n1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(N3CCCC[C@H]3CCO)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFVQLFPRQYJTR-ZDUSSCGKSA-N", "SMILES:CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(N3CCCC[C@H]3CCO)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDJBGURZVALLMD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(N(C(=O)NCc3ccccc3)C3CCC(Nc4ccc(C#N)cn4)CC3)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBFRPRCYZAVISU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(S(=O)(=O)N3CCC(Nc4ccc(C#N)cn4)CC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNKXYDCPHHUMKG-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1ccc(-c2cnn(C)c2)cc1)C1CCC(Nc2ccc(C#N)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMZQQYEYPDOBI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(N(C(=O)NCc3ccccc3)C3CCC(Nc4ccc(C#N)cn4)CC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNSLPOQKMCPOO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC2CCC(N(C(=O)NCc3ccccc3)c3ccccc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIVUNFCAOZJSD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC2CCC(N(C(=O)NCc3ccccc3)c3ccc(-c4cccnc4)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZULSMIQPZXUJHT-UHFFFAOYSA-N", "SMILES:Cn1cccc(-c2ccc(N(C(=O)NCc3ccccc3)C3CCC(Nc4ccc(C#N)cn4)CC3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXGJBJPUFDWAH-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccc(N(C(=O)NCc3ccccc3)C3CCC(Nc4ccc(C#N)cn4)CC3)cc2)cccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGRNWVRDQTYLG-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2ccc(N(C(=O)NCc3ccccc3)C3CCC(Nc4ccc(C#N)cn4)CC3)cc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHIQLDKYIXLGLF-UHFFFAOYSA-N", "SMILES:C=CCn1nnc2ccc3sccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCQLBIYRQJFBS-WAYWQWQTSA-N", "SMILES:CCCn1cc(/C=C\\c2cccs2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCQLBIYRQJFBS-AATRIKPKSA-N", "SMILES:CCCn1cc(/C=C/c2cccs2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUNDWZFMWMFKI-FPLPWBNLSA-N", "SMILES:C(=C\\c1cccs1)\\c1cn(CCc2cc3ccccc3[nH]2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPANNQWCOLJDD-UHFFFAOYSA-N", "SMILES:CCCn1nnc2ccc3sccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNRYPWZSSJFUSS-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-n2nnc3ccc4sccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANSKUVPWRJJSBJ-WAYWQWQTSA-N", "SMILES:OCCCCn1cc(/C=C\\c2cccs2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFAZZUSWJWRJN-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)OCO5)n[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJXOGHWHKUVGT-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)CCO5)n[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNQXPDPRYQVRN-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)OCCO5)n[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBUMDLHZUCXAHU-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)OC(F)(F)O5)n[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZUFUBXNQMEQQR-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4cc5ccccc5s4)n[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYYECWUMLHCSJ-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccccc6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXDRKVFQQJUBOG-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNZXRKXNRIVBK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)c3ccc(NC4CCN(C)CC4)cc3)[nH]n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPWTZVCPCJUAN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQOCHMOSHWIEJW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJAYJCWJMWXAAS-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CO)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOBJJIMRWDUPN-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCSCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNOWCVBXLPGOQS-UHFFFAOYSA-N", "SMILES:CCOP(=O)(Cc1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCIRVDZUKUQQI-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPUPDXVNYHQMCP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(CC(=O)Nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLYCEWCQGDKGOQ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(CC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBCLDFTVJJLSN-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(SCCCN3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCZOCPIFYYZNQN-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(C(=O)O)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWUCPRKGOSWFGM-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(C(=O)O)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJFQWGACDENKJ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CN3CCC(C(=O)O)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNLHHEYNJZSKEV-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(C(=O)NCCO)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJWGTFAFWYSPJ-UHFFFAOYSA-N", "SMILES:CCC(C)C(CO)NC(=O)C1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPNTJNJAGAFKP-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCCNC(=O)C1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCDSOQNVCXEQMV-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCCNC(=O)C1CCN(CC(=O)Nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZRZVMJEUFPZAD-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(C(=O)NCCCCCC(=O)NO)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGPOAKMWUTOIJ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(C(=O)NCCCCCC(=O)NO)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEGBJPJIOOWZNM-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CN3CCC(C(=O)NCCCCCC(=O)NO)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKCTRMWSADTMA-VNQANMTISA-N", "SMILES:CC(c1ccc(N2C[C@@H]3C[C@H]2CN3C)cc1)c1ccc2c(c1)Nc1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGOASQDXJCGBMC-VXKWHMMOSA-N", "SMILES:C=C(c1ccc(N2C[C@@H]3C[C@H]2CN3C)cc1)c1ccc2c(c1)Nc1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTVLXMSWIPFTJD-UHFFFAOYSA-N", "SMILES:C=C(c1ccc(NC(C)=O)cc1)c1ccc2c(c1)Nc1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMQLQPFTNZSIFP-QFIPXVFZSA-N", "SMILES:C=C(c1ccc(N2CC[C@H](N(C)C)C2)cc1)c1ccc2c(c1)Nc1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKILCIXCGXREKT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(Cl)c(Cl)cc1-n1c(O)nnc1Sc1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRKKPODWRPGMCB-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)NCCOCCOCCOCCO)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)c(C(F)(F)F)c4)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDSSBXRLQRJDR-GBIUOOPFSA-N", "SMILES:COCCN(CCOCCOCCOCCOCCOCCOCc1cccc(C(=O)Nc2sc3c(c2C(=O)N/N=C/c2ccc(Cl)c(C(F)(F)F)c2)CCC(C)(C)C3)c1)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWKQMPZADWQTF-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(sc3nc(-c4cccc(COCCOCCOCCOCCOCCOCCO)c4)oc(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBNHWGFOOPNCO-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(sc(NC(=O)c3cccc(COCCOCCOCCOCCOCCOCCO)c3)c2C(=O)Nc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRIYJHNSTVENDH-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2c(NC(=O)c3cccc(COCCOCCOCCOCCOCCOCCO)c3)sc3c2CCC(C)(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRVMQIKBOPERBN-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)c2c(NC(=O)c3cccc(COCCOCCOCCOCCOCCOCCO)c3)sc3c2CCC(C)(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMNNSBDNBNJFGP-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(sc(NC(=O)c3cccc(COCCOCCOCCOCCOCCOCCO)c3)c2C(=O)Nc2ccc(Cc3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXWNCPDSHTGLT-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCc2ccc(NC(=O)c3c(NC(=O)c4cccc(OCCOCCOCCOCCOCCOCCO)c4)sc4c3CCC(C)(C)C4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSNQJRPBQAUAH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCc2ccc(NC(=O)c3c(NC(=O)c4cccc(COCCOCCOCCOCCOCCOCCO)c4)sc4c3CCC(C)(C)C4)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDYWXFKJSMHOSD-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(sc(NC(=O)c3cccc(OCCOCCOCCOCCOCCOCCO)c3)c2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVOGGYYZERSRJF-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCc2ccc(NC(=O)c3c(NC(=O)c4cccc(OCCOCCOCCOCCOCCOCCOCC(=O)O)c4)sc4c3CCC(C)(C)C4)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNFHXSWRAKOXJK-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2c(NC(=O)c3cccc(OCCOCCOCCOCCOCCOCCOCC(=O)O)c3)sc3c2CCC(C)(C)C3)ccc1CCc1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBIUOFKDJBTIDZ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2c(NC(=O)c3cccc(OCCOCCOCCOCCOCCOCCOCC(=O)O)c3)sc3c2CCC(C)(C)C3)ccc1CCc1ccc(-c2ncco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKROUVERONNTH-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc(CCc3ccc(NC(=O)c4c(NC(=O)c5cccc(COCCOCCOCCOCCOCCOCCOCC(=O)O)c5)sc5c4CCC(C)(C)C5)cc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTGOGSJLZDWLKA-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc(CCc3ccc(NC(=O)c4c(NC(=O)c5cccc(CSCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)c5)sc5c4CCC(C)(C)C5)cc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXYLBMANCROSK-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc(CCc3ccc(NC(=O)c4c(NC(=O)c5cccc(COCCOCCOCCOCC(=O)O)c5)sc5c4CCC(C)(C)C5)cc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPSNSXDTQQDDJ-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc(CCc3ccc(NC(=O)c4c(NC(=O)c5cccc(CN(C)CCOCCOCCOCCC(=O)O)c5)sc5c4CCC(C)(C)C5)cc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLYDKBZSKNRECE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(CSc3nc4ccccc4s3)no2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBLRBJZPGZHVPP-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2nc(CSc3nc4ccccc4s3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVUJIGLZPUJGJ-UHFFFAOYSA-N", "SMILES:Cc1cn(S(=O)(=O)c2cccc(F)c2)c2cccc(N3CCNCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQZNGNJDGGCFT-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1cc(C(F)F)c2cc(N3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMWZFIAJUHURJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1F)n1cc(C(F)F)c2cc(N3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHFQTNPQFWVGAZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2cc(N3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBPBBIBVCUJBLU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1Br)n1cc(C(F)F)c2cc(N3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DONXZZSVJOYXQL-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(F)c1)n1cc(C(F)F)c2cc(N3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDRIIZKOJAMPE-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)n1cc(C(F)F)c2cc(N3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHWKTGZGQBBYAT-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Br)c1)n1cc(C(F)F)c2cc(N3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVJZQXHWLXMBP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(N4CCNCC4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZYOKQFZXTNGJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(N4CCNCC4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRQWLJHRVXADS-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Cl)cc1)n1cc(C(F)F)c2cc(N3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWHEFPEYWVSNH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1cc(C(F)F)c2c(N3CCNCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKEKDZVSYAMAJX-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1F)n1cc(C(F)F)c2c(N3CCNCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYMHZVFJIDWDD-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1Cl)n1cc(C(F)F)c2c(N3CCNCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHZUOXKOCAANR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1Br)n1cc(C(F)F)c2c(N3CCNCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTBPXACWUMGOC-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(F)c1)n1cc(C(F)F)c2c(N3CCNCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPIRCKBPZWEJGK-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)n1cc(C(F)F)c2c(N3CCNCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKUZOBQCLSBKE-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(C(F)F)c3c(N4CCNCC4)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEHXECNKXFLQMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C(F)F)c3c(N4CCNCC4)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGMOXJFDQAORNK-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1sc2cccnc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKLLHZWAVCQOPB-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1sc2ccncc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGIRHHWTSFRPL-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1sc2cnccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQFZBJABKKYABO-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2ccc3c(=O)[nH]nc(CN)c3c2)c1-c1sc2ncccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPGXGLQPVLSMV-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2cnc3c(=O)[nH]nc(CN)c3c2)c1-c1sc2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSLYNZZAYJMFT-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2cc(Cl)c3c(=O)[nH]nc(CN)c3c2)c1-c1sc2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBCMPRDJGRLTC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2-c2sc3ccccc3c2C#N)cc2c(CN)n[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSTICELGAGSITL-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2cc(C(F)F)c3c(=O)[nH]nc(CN)c3c2)c1-c1sc2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLZRUVNQWKQPGX-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2cc(O)c3c(=O)[nH]nc(CN)c3c2)c1-c1sc2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITQEGZWQYEIGT-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2cnn(C)c2-c2sc3ccccc3c2C#N)cc2c(CN)n[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQALKKMHCBOQHR-UHFFFAOYSA-N", "SMILES:COCc1cc(-c2cnn(C)c2-c2sc3ccccc3c2C#N)cc2c(CN)n[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXOUGZIIVASWRH-OAQYLSRUSA-N", "SMILES:Cn1ncc(-c2cc([C@H]3CCCO3)c3c(=O)[nH]nc(CN)c3c2)c1-c1sc2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXOUGZIIVASWRH-NRFANRHFSA-N", "SMILES:Cn1ncc(-c2cc([C@@H]3CCCO3)c3c(=O)[nH]nc(CN)c3c2)c1-c1sc2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKNSISVRNYUYFR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(NC3CCN(C)CC3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXKLQCBNYIIJY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(C1)CN(c1nc(NC3CCN(C)CC3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDTVFQSDPVHQD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(NC4CCN(C)CC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSMJIBTHPJBNM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(NC4CCN(C)CC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULCFAELNYOLQRB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC2(C1)CN(c1nc(NC3CCN(C)CC3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFKJBYBITQHAID-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(OC4CCN(C)CC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUYANVKPYZDXKI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(OC4CCN(CC)CC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZAVRVYOZQFLCS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(SC4CCN(CC)CC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFZKRNALHGQDON-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(N(C)C4CCN(CC)CC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEJULSHQAMEKHI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(OCC4CCN(C)CC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSHKRDOHMZJFHJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(OCCN(C)C)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRVYSGDOCNRLAC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(OCCCN(C)C)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKGDPDSBPTFQH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(OC4(CN(C)C)CCC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVGTCOGPRKXNZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(OCCCN4CCCCC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUHLKLKTXZSASX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(OCCCN4CCOCC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVUPOYMEYDPKN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CCN(c3nc(OC4CCOCC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSKSHFLFKMUWNM-LPYMAVHISA-N", "SMILES:O=C(N/N=C/c1ccc(O)cc1)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKLDBZGCNTWFJM-YDZHTSKRSA-N", "SMILES:O=C(N/N=C/c1ccc(F)cc1)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBCKWGVZGJBNEH-YDZHTSKRSA-N", "SMILES:O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STJUOXLNLDTWBR-OEAKJJBVSA-N", "SMILES:COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSXFHLPQQQFLU-OVVQPSECSA-N", "SMILES:O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULSLKKCKIXSGB-YDZHTSKRSA-N", "SMILES:O=C(N/N=C/c1cccc(F)c1)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEKKHIAWIWITI-YDZHTSKRSA-N", "SMILES:O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUCGQBSMMXJCL-LPYMAVHISA-N", "SMILES:O=C(N/N=C/c1cccc(O)c1)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKZATNXHOEFOZ-YDZHTSKRSA-N", "SMILES:O=C(N/N=C/c1ccccc1F)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJQKBTVIBTOLP-YDZHTSKRSA-N", "SMILES:O=C(N/N=C/c1ccccc1Cl)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMVBMUIVSMMSH-LPYMAVHISA-N", "SMILES:O=C(N/N=C/c1ccccc1O)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQBKWYZZOSUFDL-OEAKJJBVSA-N", "SMILES:COc1ccccc1/C=N/NC(=O)c1ccc(CN2CCC(CO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCNZMHUJZKEPX-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1cc2cc(Cl)ccc2n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVHSGKFLTVBGOL-UHFFFAOYSA-N", "SMILES:O=C(c1cc2cc(Cl)ccc2n1Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBAUABWXAYXASI-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEYNAFSYLAYPQJ-UHFFFAOYSA-N", "SMILES:O=C(c1nn(Cc2ccc(F)cc2)c2ccccc12)N1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWXPSNTZOGYSJ-JVMLLWQNSA-N", "SMILES:O=C1c2cc(Cl)c3c4c(Oc5ccc(OCc6cn(CCCN7C[C@H](O)[C@@H](O)[C@H](O)[C@H]7CO)nn6)cc5)cc5c6c(cc(Oc7ccc(OCc8cn(CCCN9C[C@H](O)[C@@H](O)[C@H](O)[C@H]9CO)nn8)cc7)c(c7c(Oc8ccc(OCc9cn(CCCN%10C[C@H](O)[C@@H](O)[C@H](O)[C@H]%10CO)nn9)cc8)cc(c2c37)C(=O)N1Cc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)c64)C(=O)N(Cc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZMHGROQIAGSI-GGHJCZBGSA-N", "SMILES:O=C1c2cc(Oc3ccc(OCc4cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn4)cc3)c3c4c(Oc5ccc(OCc6cn(CCCN7C[C@H](O)[C@@H](O)[C@H](O)[C@H]7CO)nn6)cc5)cc5c6c(cc(Oc7ccc(OCc8cn(CCCN9C[C@H](O)[C@@H](O)[C@H](O)[C@H]9CO)nn8)cc7)c(c7c(Oc8ccc(OCc9cn(CCCN%10C[C@H](O)[C@@H](O)[C@H](O)[C@H]%10CO)nn9)cc8)cc(c2c37)C(=O)N1Cc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)c64)C(=O)N(Cc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)C5=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIAJYAVQSHCRSC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWRODCEXGTXTI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNADWUMFBAZAV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEENZKVABJXATI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRUDXQGFFRXHRA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1-c1csc(NC(=S)Nc2ccc(C(=O)O)c(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCIHZVBOOSCUDS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHAOCOJXZBKVJT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYBTKRQTBMSAC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1csc(NC(=S)Nc2ccc(C(=O)O)c(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMHKGYWWOEMDT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc(F)cc3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNSFUJDVVODLHY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3cccc(F)c3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KISAOZKFSGYFJL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccccc3F)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBPVXTMFMUXJSS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWJLLJSMCLUZPE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMXNCLMQFGHSQL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQXFCSCNEMXIHY-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCMRMPDYNBCNT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc(O)cc3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXPPABNMBTSAC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3cccc(O)c3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQWNORGLWLXNT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMGJTKURMLRNL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLCBCMPYJRNAFB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOZAHLQWZKFDRF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVFUQAFCNNICJZ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPELOICYMSBTLW-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLGGNXNBQXBMLG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYRBDBFOPPDCOI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc(F)cc3F)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBXLDIIYLBJRNW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLMYRBQANNKQMD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2csc(NC(=S)Nc3ccc(C(=O)O)c(O)c3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTCHPFXJYNSVKO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc([N+](=O)[O-])c(F)c3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCOWECDNKVFKB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc([N+](=O)[O-])cc3F)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULONPVTYWMUOS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc(F)c(S(=O)(=O)NC4CCCC4)c3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURGSWUQMLWAPX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc(F)c(S(=O)(=O)NCc4ccccc4)c3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CINODQKJJCPQDL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)NCc4ccccc4)c3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLJUVQIMYECNA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKFGCHXMTWVQE-HHXOVNKUSA-N", "SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)CC(SC[C@H](N)C(=O)N[C@H]3CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC3=O)C2=O)C(C)C)cc1)C(C)C)C(C)C"]}
{"name": "Kita-kyushu lung cancer antigen 1", "xref": ["CHEMBL.TARGET:CHEMBL5169155"], "id": "UniProtKB:Q5H943", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUJNGGYFNZUNB-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2024114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHUZHTHIEMXLRA-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBDVBWPZLPSRE-UHFFFAOYSA-N", "SMILES:C(#Cc1ncnc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2357789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEFDQCSIVBIYFQ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ncnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLUETSUNFSDTO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNELVCPSUUYWIF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc(N)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMYIAFWTRZFZGK-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nc(N)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYHTXQWTMFGCED-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOERVEQMLLHMCN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(N)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUSJWWGUDQVSKR-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc(N)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVZOSMQWSORQON-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2N)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHWBBCWZZNNRJC-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(F)cc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYMGCCAOLNYOQ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(F)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDOJBYFGBQKAOF-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2F)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRXVXXAETUCPW-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLSAHBDOOINLML-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccoc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDYQZCHNJVRETF-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccs2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMEGQEWPMXDRMO-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDIROSBRBKJBMH-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cc(Br)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXYQBMXCGAFAR-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(N)nc(-c3ccco3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFHWREWMZPGWCN-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZATDWZVFWZZXSN-UHFFFAOYSA-N", "SMILES:[O-][S+](c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJZYDPRMWYWYCG-KPVNRNJOSA-N", "SMILES:COc1ccccc1N1CCN(CCN(C(=O)c2ccc([18F])cc2)c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDHNIVPPBTXIA-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCN(C(=O)N2CCCCC2)c2cccc(F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAHZEMGEIKCMR-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCN(C(=O)N2CCCCC2)c2cccc(Br)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXCVVYUSUGUSMW-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGGCRGAETLNAJC-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIGPAXROBLPQJS-QGZVFWFLSA-N", "SMILES:COc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGOZTDLAUVOPMF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1O)-c1cccc3c1C(C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL423361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSYXUBWRYIWXJK-UHFFFAOYSA-N", "SMILES:O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDINHVYVESYLKG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN/C(=N\\C#N)c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQDTTRYUMUINH-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQYRBWJVVBVMOS-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWCWNEWLVWIYOH-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWPDPWIDNDELZ-JVVVGQRLSA-N", "SMILES:CC1(C(=O)N(CCN2CCN(c3ccccc3O[11CH3])CC2)c2ccccn2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDUDKPOIYPKKNF-KPVNRNJOSA-N", "SMILES:COc1ccccc1N1CCN(CC(C)N(c2ccccn2)[11C](=O)C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAVWMUCGPXXJV-XMMPIXPASA-N", "SMILES:COc1ccccc1N1CCN(CC[C@@H](C(=O)N2CCCCCC2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDINHVYVESYLKG-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1ccccc1N1CCN(CCCN/C(=N\\C#N)c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTUXRKNJYPMCG-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(F)c2c1CC(N(C1CCC1)C1CCC1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADELHWYAKAZUCR-FNNGWQQSSA-N", "SMILES:COc1ccccc1N1CCN(CCN(C(=O)c2ccc([18F])cc2)c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQGLPDFQLBNUGU-NAROYLCKSA-N", "SMILES:COc1ccccc1N1CCN(CCN(c2ccccn2)C(=O)[C@H]2CC[C@H](C[18F])CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSEPKSLFXGYPIU-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNLZOHZVWITLA-UHFFFAOYSA-N", "SMILES:CCCN(CCCSC)C1CCc2cccc(O)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXZKLAYAVMIIP-QFIPXVFZSA-N", "SMILES:CCCN(CCCCC1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2cccc(OC)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBWOJKTTGVTKR-OAHLLOKOSA-N", "SMILES:CCCN(CCC)[C@@H]1CCc2cccc(SC)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQQOTJFLOZAJMY-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCc2ccc3c(c2)oc(=O)n3C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL322275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGCUFOXBUYJGBX-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCCC2CCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LABFIALYPYPGFW-RQCQXWEWSA-N", "SMILES:[11CH3]Sc1cccc(C(=O)NC[C@H]2CCCN2CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZFPYZCVYTCQZ-MIGPCILRSA-N", "SMILES:O=C(NCCN1CCN(C2CCCc3ccccc32)CC1)c1ccc([18F])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMQODYDAUKKEN-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMQODYDAUKKEN-FNNGWQQSSA-N", "SMILES:COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc([18F])cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWKVQMVFJFMGC-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCN(c2cccc(C(F)(F)F)n2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAAXKNFGOFTGLP-GJQNQZCXSA-N", "SMILES:Cc1cnc(CNCC2(F)CCN(C(=O)c3ccc([18F])c(Cl)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFABTUBWNFTBH-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCNC(=O)C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRHXEMIZSJREY-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCNC(=O)C2CC3CCC2CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBWOJKTTGVTKR-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C1CCc2cccc(SC)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTWYQZHXTZWIK-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCn2ccnc2SC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBEBZYYQDJWIQE-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCN(C)C(=O)c2cnc(SC)n2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGCUFOXBUYJGBX-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1cccc2c1CCCC2CCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNYUUKCLYBVFN-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CC(O)COc2cccc3c2SCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEERKEFZZKDAPM-RIIFNPPHSA-N", "SMILES:COc1ccccc1N1CCN(CCn2cc(COCC(COc3ccc([Si]([18F])(C(C)(C)C)C(C)(C)C)cc3)OCc3cn(CCN4CCN(c5ccccc5OC)CC4)nn3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL356304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LABFIALYPYPGFW-IBGZPJMESA-N", "SMILES:CSc1cccc(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTEYGWXMYSXCRZ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QILKJZOYDVAGPZ-UHFFFAOYSA-N", "SMILES:CNc1nc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKPWOPNZKYPRPZ-JVVVGQRLSA-N", "SMILES:Cc1ccc(N2CCN([11CH3])CC2)c2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c12"]}
{"name": "5-hydroxytryptamine receptor 1B", "xref": ["CHEMBL.TARGET:CHEMBL5169098"], "id": "UniProtKB:O08892", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267932", "category": ["biolink:ChemicalEntity"], "name": "MESPIPERONE", "xref": ["InChIKey:QHJLPOSPWKZACG-UHFFFAOYSA-N", "SMILES:CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O"], "synonym": ["3-n-methylspiperone", "N-methylspiroperidol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLMFUBCMJSPRPY-YJJYDOSJSA-N", "SMILES:CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(c(Br)n4C)CC2N(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULBDFHXTQOMTQU-UHFFFAOYSA-N", "SMILES:COc1cc(Br)c(OC)c(CCNCc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZKNIMVJLFSTAT-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)cc(CCNCc2cccc(F)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKWTWUAZVXSIH-AWDFDDCISA-N", "SMILES:COc1c(Br)cc([18F])cc1CCNCc1cccc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGUWSRPJAMYBSB-SQZVAGKESA-N", "SMILES:COc1c(Br)cc([18F])cc1CCNCc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83894", "category": ["biolink:ChemicalEntity"], "name": "FANANSERIN", "xref": ["InChIKey:VGIGHGMPMUCLIQ-UHFFFAOYSA-N", "SMILES:O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1"], "synonym": ["Fananserin", "Fananserine", "Fananserina", "RP 62203", "RP-62203", "RP62203", "Fananserin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUFOFEZQRVLOLI-GJQNQZCXSA-N", "SMILES:COc1cc(Br)c(OCC[18F])cc1CCNCc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCZWMEKPKDNGAF-GJQNQZCXSA-N", "SMILES:COc1cc(CCNCc2ccccc2OC)c(OCC[18F])cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62919", "category": ["biolink:ChemicalEntity"], "name": "ALTANSERIN", "xref": ["InChIKey:SMYALUSCZJXWHG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1"], "synonym": ["Altanserin", "Altanserine", "Altanserina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105437", "category": ["biolink:ChemicalEntity"], "name": "SETOPERONE", "xref": ["InChIKey:RBGAHDDQSRBDOG-UHFFFAOYSA-N", "SMILES:Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2"], "synonym": ["Setoperone", "Setoperona", "R 52,245", "R-52245", "Setoperone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCFZUTYIUYQTPW-JOCHJYFZSA-N", "SMILES:COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUXGNJVVBGJEFB-BJUDXGSMSA-N", "SMILES:COc1cc(CCNCc2ccccc2O[11CH3])c(OC)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL144362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHXVZNYMJMMPEI-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMTAGMQCGJQQQP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1619948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZLABYDOCWQBQ-WOJBJXKFSA-N", "SMILES:COc1cccc(CCc2ccccc2OCC[C@@H]2C[C@@H](O)CN2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUWWBCURPMEQS-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2ccc(N)cc2)CCN(CCCOc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFUOLNAKPBFDIJ-UHFFFAOYSA-N", "SMILES:COc1cc(CCNCc2ccccc2OC)c(OC)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLFNEXKFXVVHK-HTKOBJQYSA-N", "SMILES:Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1COC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRGUHTMHEWSHTH-BJUDXGSMSA-N", "SMILES:[11CH3]N1CCc2nc3ccnn3c(N3CCC3)c2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1628670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOSKJKGKWRIMGV-DGCLKSJQSA-N", "SMILES:c1cc2c3c(c1)[C@H]1CCC[C@H]1N3CCNC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2110670", "category": ["biolink:ChemicalEntity"], "name": "VABICASERIN", "xref": ["InChIKey:NPTIPEQJIDTVKR-STQMWFEESA-N", "SMILES:c1cc2c3c(c1)[C@H]1CCC[C@H]1CN3CCNC2"], "synonym": ["Vabicaserin", "Vabicaserine", "Vabicaserina", "Vabicaserin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL494948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFPUYOAZKKYGQE-CHWSQXEVSA-N", "SMILES:C[C@H](Cc1cccc(F)c1)Oc1nc(N2CCNC[C@H]2C)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDOTRBSNDBFMN-BJUDXGSMSA-N", "SMILES:[11CH3]N1CCC(COC(=O)c2cc(Cl)c(N)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMNHBXQOOVQJL-BJUDXGSMSA-N", "SMILES:[11CH3]OCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVJEDOZGDZJQY-BJUDXGSMSA-N", "SMILES:[11CH3]N1CCN(c2cccc3cc(S(=O)(=O)c4cccc(F)c4)cnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOVHTLBNUOVCD-AWDFDDCISA-N", "SMILES:CN(C)CCOc1cccc2c1ccn2S(=O)(=O)c1ccc([18F])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHHVOGKEGPADC-KRWDZBQOSA-N", "SMILES:CC1CCN(CCC[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYAZUZKVBQQTG-SFHVURJKSA-N", "SMILES:CC1CCN(CCC[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQECOCALHCNFGT-FQEVSTJZSA-N", "SMILES:COc1ccccc1N1CCN(CCC[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXSHRVWFLXSVKK-NRFANRHFSA-N", "SMILES:COc1ccccc1N1CCN(CCC[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRSVJAYRMKMIRY-NRFANRHFSA-N", "SMILES:O=S(=O)(c1ccccc1F)N1CCC[C@@H]1CCCN1CCN(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZZTTWOAOHULY-QFIPXVFZSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1CCCN1CCN(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPDEEFEYYFJKT-IBGZPJMESA-N", "SMILES:O=S(=O)(c1ccccc1F)N1CCC[C@@H]1CCCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEPZPDORMLOOK-DPJQDDQZSA-N", "SMILES:CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(OCC[18F])c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVWSZXKFYZQFF-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CCCCC3C(=O)Nc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KATJSKRLVCHNNS-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCC3C(=O)Nc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTOSQYZCKOQEH-UHFFFAOYSA-N", "SMILES:CC1(CCCCN2CCN(c3cccc(OCCF)c3)CC2)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCXQYWELOUODL-UHFFFAOYSA-N", "SMILES:CCC1(CCCCN2CCN(c3cccc(OCCF)c3)CC2)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BETVPTZOBIULKH-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(CCCCN3CCc4sccc4C3)CCCc3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCJBEGQDJAGGU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c([N+](=O)[O-])ccn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSIPVCJWLGMEF-UHFFFAOYSA-N", "SMILES:CCn1cncc1-c1c[nH]c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL95121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLHHCITDFZZSE-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTVCCRNJOGKGA-QFIPXVFZSA-N", "SMILES:CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1628565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWHICIUSVVNGX-MRXNPFEDSA-N", "SMILES:CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1"], "synonym": ["LY-344864"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHVBDVYBDSPPU-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYDEUCPMLCHGS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJIHHLJBCQRBS-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZZQXCUPAJFVBN-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2ccc(F)c3ccccc23)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPKAQHBCKHPSSV-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCC(c3ncc[nH]3)CC2)n[nH]c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFMOPKLRQAOMEL-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(NC(=O)CN(C)C)n[nH]c3c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPGDTNNYHWPLIB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(NC(=O)CN(C)C)n[nH]c3c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWAHLKXBBYGEW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(NC(=O)CN4CCCC4)n[nH]c3c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYGLIPNJRSHMFG-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)Nc1n[nH]c2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTTYYCAUZAPRNY-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(NC(=O)CN4CCCC4)n[nH]c3c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXYRQQOKODFMOD-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCOc1ccc(-c2nnc(-c3ccccc3)s2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPITKZRBKREJG-UHFFFAOYSA-N", "SMILES:O=C(CCCCOc1cccc(-c2nnc(-c3ccccc3)s2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYJFZKTFYNIJP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCOc1cccc(-c2nnc(-c3ccccc3)s2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKEDSYBCCUZHHP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCOc1cccc(-c2nnc(-c3ccccc3)s2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTPYRVFUVRMYHV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCOc1cccc(-c2nnc(-c3ccccc3Cl)s2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFKDKMTOCUTNO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C(=O)O)c2)cc1C(=O)O)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEWUPJRWHKPAA-RQJABVFESA-N", "SMILES:O=S(=O)(O)CCn1cc(COC[C@@H]2O[C@H](Cn3cc(CS(=O)(=O)O)nn3)[C@@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUJCRTNPHIFQHD-UNHSIIPNSA-N", "SMILES:Cc1cn([C@H]2C[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOLIXMFSQLULOY-PZYMIOSESA-N", "SMILES:Cc1cn([C@H]2C[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPCMSUEMFHZFI-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(C(=O)c2cccc(C(=O)N3CCC(C(=O)O)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIGCUWHNXAZAJZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)N2CCC(C(=O)O)CC2)cc(C(=O)N2CCC(C(=O)O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNVJYCFYDUZGD-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2cccc(-n3cc(CO)nn3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTPSISALMIWYPQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(-c2cccc(-n3cc(C(=O)O)nn3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTXKCJBHOPMNO-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)Cc1cn(-c2cccc(-n3cc(CS(=O)(=O)O)nn3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXHMHOMEELOFAT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-n2cc(CO)nn2)cc(-n2cc(CO)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZDLGTJABKCMDI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-n2cc(C(=O)O)nn2)cc(-n2cc(C(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUFABGICFKBVNB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-n2cc(CS(=O)(=O)O)nn2)cc(-n2cc(CS(=O)(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQUAKORMLHPSLZ-XVFCMESISA-N", "SMILES:Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)O)c(=O)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5202348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAKQUALPHAPRM-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)N3CCC(NC4=CC(=O)c5ccccc5C4=O)CC3)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDPYGUNQBRRAE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1CNc1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMEMXQPAMKMVJY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1CNc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUYDYSIZNGYTJY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1CNc1cc(C(F)(F)F)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXBJEPXIKNALH-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NCc2ccccc2[N+](=O)[O-])c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBWBIFCXKBEJAW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1CNc1cc(Br)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRFZANUEVQUVID-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJWCKAUHQRSHF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2cccc(Br)c2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWKMYCQSTYOSPG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHQKXBGEEIHQPK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJARQQHPXKPULK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTNIQXFONVAPB-UHFFFAOYSA-N", "SMILES:Nc1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYBXLNRVHQMALZ-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXKZRXFXQGJIN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(CNc3cc(C(F)(F)F)cc4[nH]ncc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRIJLSSABIPXPM-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCCAGXPMHDFDHU-SECBINFHSA-N", "SMILES:FC(F)(F)c1cc(NC[C@H]2CCCN2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCKDKAZGRUCFA-SNVBAGLBSA-N", "SMILES:FC(F)(F)c1cc(NC[C@H]2CCCCN2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCKDKAZGRUCFA-JTQLQIEISA-N", "SMILES:FC(F)(F)c1cc(NC[C@@H]2CCCCN2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIACIKPTWMNVKD-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCC2CNC2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQHXRVCQGZKTN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEEQWZJTQYWXKQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGNTEVGALHBAH-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c([N+](=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCQMJKYERFZPB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c([N+](=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKBRTPKERWBHMQ-UHFFFAOYSA-N", "SMILES:O=[N+](O)c1c(Cl)cccc1CNc1cc(C(F)(F)F)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZULJFMCJATZMI-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Cl)cc1CNc1cc(C(F)(F)F)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPQREHADFGAFOK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(Cl)ccc1CNc1cc(C(F)(F)F)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKBQUFQHLUAIJ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(Br)c(F)cc1CNc1cc(C(F)(F)F)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBUZXNXPWNTOKY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(OCc2ccccc2)ccc1CNc1cc(C(F)(F)F)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHZMXHGDYWKVFD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(CNc2cc(Br)cc3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAACLNKBFOTDTC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTFIZQHUZSJAA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(O)cc1CNc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIYZEWTTZKUBG-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2cc(Br)cc3[nH]ncc23)c([N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQCADLWNIILIHV-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NCc2ccccc2[N+](=O)[O-])c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFVZLNHSMBKMSZ-XKQJLSEDSA-N", "SMILES:O[C@@H]1c2ccnn2CC[C@H]1[C@H]1c2ccccc2-c2cncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCVPGBEQXZGBX-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1ccc(-c2c[nH]c3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVJCRIIDMDBAQC-AWEZNQCLSA-N", "SMILES:O[C@H](c1cc(Cl)cc2cncn12)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPJBWNIQKHGLAU-GDALHKLBSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@@H]([C@@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5196458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFIXYPYYQIEBD-YVHKIUQHSA-N", "SMILES:CCCCCC/C=C\\CCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@@H]([C@@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL172155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQDXIFVWVZVML-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5198980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXNIOQMIRVNIT-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBULXTPGPIWFHA-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCc1ccccc1)C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOHQCOIBQCEEGL-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANKPCFFLUNJJN-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCc1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHKNNOXELVUGC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXDSKBHNBRCBID-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYWJSSAZZBMOU-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGNEWKQZOHPQG-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccc(C)cc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQRVZITEJCKGJ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccccc1F)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOZPISMNSLEFMM-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJUFOQCHHPXQRR-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1ccc(F)cc1F)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNCWJXXWGCIBCY-UHFFFAOYSA-N", "SMILES:CCC(=O)N(C1CCN(CCc2ccccc2)CC1)C(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRRJRDVBHZDIE-UHFFFAOYSA-N", "SMILES:CCCC(=O)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRSYPDLBVOONCG-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWYKBWLGVWNFE-UHFFFAOYSA-N", "SMILES:O=C(C1CCCCC1)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJGGUOATOUZIG-UHFFFAOYSA-N", "SMILES:O=C(C1CCCC1)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRMCBOEBNBVTB-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCEOYFCRTFQYLI-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXWJGVWCSPDTD-UHFFFAOYSA-N", "SMILES:CCCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGGEYAEKFSEMP-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLTSRXXFKBIVDH-UHFFFAOYSA-N", "SMILES:COCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKNPKFPQCSRMQU-UHFFFAOYSA-N", "SMILES:CCCC(=O)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFNBRURSYGJOHJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGFNEEXJTRPKKG-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCNWHHIHBEBLG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPMOWDCRLDYFP-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKZBXSDEBBKES-UHFFFAOYSA-N", "SMILES:O=C(C1CCCCC1)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQTPSBHCFPDSGS-UHFFFAOYSA-N", "SMILES:O=C(C1CCCC1)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFKRBGQAUZUIHW-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXHAOESPARTMAL-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N(Cc1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBBQILLVJFEDGF-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERJLTWDEISIDN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WADXPQMUTSVGAD-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N(Cc1ccccc1F)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGHIBWGTCUJLRC-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N(Cc1ccc(F)cc1F)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZSLGOLLSXTNGY-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQCVMYAEFTEFN-AFAVFJNCSA-N", "SMILES:C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL316632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHYKVKNPWDQSL-KNXBSLHKSA-N", "SMILES:C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL94350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHYKVKNPWDQSL-XGRCMKMKSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL50112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELCSESNNDZLFM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHIDSSXNRVGMDP-UHFFFAOYSA-N", "SMILES:O=C1COC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCCZDXNQUVNFGP-UWVJOHFNSA-N", "SMILES:Cc1c(Cl)ccc2cc(/C=C3\\NC(=O)N(C(C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNGEJRHHJULAD-AJQTZOPKSA-N", "SMILES:CC(C)(C)Oc1cc(C(=O)CC(N)=O)ccc1C1=N[C@@H](c2ccc(C(=O)O)cc2)[C@@H](c2c[nH]c3ccc(Cl)cc23)N1C(=O)N1CCNC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTUGZABONLMPG-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2c(-c3ccn(S(=O)(=O)c4ccccc4)c3)[nH]c3ccccc23)cc(O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEWKWVZJRMLIGI-RLNDGVKBSA-N", "SMILES:C=C[C@]1(C)C[C@@H](O)[C@]2(C)[C@H](C)CC[C@]3(C/C(=C\\c4ccc(C(=O)NC5CCCCC5)cc4)C(=O)[C@H]32)[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL305513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWYUFVNJZUSCSM-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5190145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEHFZSFMQOPEH-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)nn1)Nc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRIURQDOHAMKN-SNVBAGLBSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAFJBBPYSFMKHP-GFCCVEGCSA-N", "SMILES:CCn1cc(-c2cnn3ccc(N[C@H](C)c4cc(F)ccc4F)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAURBBXNZVQFLW-SNVBAGLBSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(C(F)F)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYPNXYPWUYRRH-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(CCC#N)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFMSEVITEUIVHU-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPXVWAAVVWLAPA-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(S(C)(=O)=O)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGFVCFPJMKZZER-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(C4CC4)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJDSYGGHAOVYDZ-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(C4CCC4)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBWFWNLZZIYSK-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(C4CCCC4)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKGVSMIITVYNO-JBZHPUCOSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(C4CCOC4)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMLNFZDWCDBUBQ-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(C4CCOCC4)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVKDSBCDBUHDM-CYBMUJFWSA-N", "SMILES:COCCn1cc(-c2cnn3ccc(N[C@H](C)c4cc(F)ccc4F)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDRQLCNXUVPVDD-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(CC(C)(C)O)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKTWUIBVJRJIRW-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ccn2ncc(-c3cnn(C4COC4)c3)c2n1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJSHUJYEWSVGG-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)O)oc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQDIVXZWPJXIL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(C(=O)CCC(=O)O)=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVXTYAQXKRUFGB-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C(=O)CCC(=O)O)[nH]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYFGQSMXODLFM-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(CCC(=O)O)OC)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZUXJPFGKNUMJY-UHFFFAOYSA-N", "SMILES:COc1cc2cc(CCCC(=O)O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGRQAYGYDCXLH-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(O)CCC(=O)O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XECHWWMOCIBIGX-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCCC(=O)O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOHWPKFBIQXIAS-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)NCC(=O)O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAORCGLMULRBHG-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)NCCC(=O)O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJYSJXCAFCSPC-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)SCC(=O)O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNQZAYQVSIZLLI-UHFFFAOYSA-N", "SMILES:COc1cc2cc(NC(=O)CC(=O)O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOAZWQFSIWYJG-UHFFFAOYSA-N", "SMILES:COc1cc2cc(-c3cc(C(=O)O)[nH]n3)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHULMTIOVFIHPZ-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C3=NOC(C(=O)O)C3)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHLGOPRWZLMEE-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)N(O)C(C)C)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPKJAHPGKUFBI-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)N(C)O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZECAWXDASEKFB-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)N(O)Cc3ccccc3)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOVKTURAVCFQAI-UHFFFAOYSA-N", "SMILES:CONC(=O)CCC(=O)c1cc2cc(OC)c(OC)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKVHMDPUMSJRW-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)NOCc3ccccc3)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKOOOYYFSBDMEE-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)N(C)OC)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVAAQFMVCBCFX-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)ONC(C)C)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFMZFPKFQFKJN-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)ONC(C)(C)C)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSWRYPMTAWMNU-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)ONC3CCCCC3)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVFESMCXICVBV-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)ONCc3ccccc3)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTQHWCWWQYLTHK-UHFFFAOYSA-N", "SMILES:COc1cc2sc(C(=O)CC(C)(C)C(=O)O)cc2c(F)c1OCCCOc1c(OC)cc2sc(C(=O)CC(C)(C)C(=O)O)cc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGZHYLDDJOVDMW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(CN3CCCCC3)nc3scc(C(=O)O)n23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNEUERRAUAGHGO-UHFFFAOYSA-N", "SMILES:CCC(=O)NNC(=O)c1csc2ncc(-c3ccc(C)cc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCVSCAUEKBQAE-UHFFFAOYSA-N", "SMILES:CC(=O)NNC(=O)c1csc2ncc(-c3ccc(Br)cc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSIRVCGEZTUEOG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(CN3CCOCC3)nc3scc(C(=O)NN)n23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADWBIWIWVFJDMV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(CN3CCOCC3)nc3scc(C(=O)NN)n23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZRYLZHQIMGPZ-UHFFFAOYSA-N", "SMILES:NNC(=O)c1csc2nc(CN3CCOCC3)c(-c3ccc(Br)cc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1628029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBNWZKPVRGBBX-ZBVAKXHMSA-N", "SMILES:CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBDNWNLHQUHKB-PUHDZGQXSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccc2c(c1)COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEQZALMUWNYOD-RECUOTGHSA-N", "SMILES:CCOC(=O)C1(C(C)=O)Cc2ccc([C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]43C)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL132530", "category": ["biolink:ChemicalEntity"], "name": "FORMESTANE", "xref": ["InChIKey:OSVMTWJCGUFAOD-KZQROQTASA-N", "SMILES:C[C@]12CCC(=O)C(O)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "synonym": ["Formestane", "Formestane", "Formestane", "Formestano", "4-oh-androstene-3,17-dione", "CGP 32349", "CGP-32349", "NSC-282175", "Lentaron"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3349548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJFZXLQZUJKMRI-RGJWXQDMSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C[C@@H](Sc1ccc(N)cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"name": "Aromatase", "xref": ["CHEMBL.TARGET:CHEMBL3859"], "id": "UniProtKB:P22443", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWJUZQACDHODTE-UHFFFAOYSA-N", "SMILES:OCC1(c2onc(-c3ccc(O)cc3)c2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRDHOHXRPHWRL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3cc(O)ccc3o2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL9298", "category": ["biolink:ChemicalEntity"], "name": "FADROZOLE", "xref": ["InChIKey:CLPFFLWZZBQMAO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2CCCc3cncn32)cc1"], "synonym": ["Fadrozole", "Fadrozol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEVRSKYAFKJBL-DKKFBQAASA-N", "SMILES:C[C@]12CC[C@]3(C)c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSVKVWHYFBIFJ-LOPBJPMSSA-N", "SMILES:CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1C(c1cc3c(cc1Br)OCO3)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLUGVTJBNRSIKH-UQZPWQSVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H]1OC(=O)C[C@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJKNMHBBHTHNC-BZWGMARWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL30645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFHBEUCMTNNMQJ-YUNKPMOVSA-N", "SMILES:C=CCc1cc2c(cc1O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C"], "chembl_natural_product": true}
{"name": "Immunity-related GTPase family M protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5169158"], "id": "UniProtKB:Q60766", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Immunity-related GTPase family M protein", "xref": ["CHEMBL.TARGET:CHEMBL5169093"], "id": "UniProtKB:A1A4Y4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPMMMRKHRUQAAY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(C#N)cc5)CC4)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNHSBVZTQFKEF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(F)c5ccc(F)cc5)CC4)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYVYGXMFQSTKH-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDYCJGYGAYDIM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(C#N)cc5)CC4)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPXCBKYWWZZGT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGJLUCJLNJXKG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGHJHFJDOKLEU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIWBJVPMSYDST-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFSPOXBSRLZDO-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(OC)cc5)CC4)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJXMSWGFOSLNON-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGGFDWTZNSBPY-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(N4CCCC4)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUMYTKZYNNGHLL-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(-n4cccn4)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUKDJVQRQSRGMQ-PCULNXKLSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cn(-c5ccc(Cl)cc5)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVVMJQMCWXDIFD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ncnc3ccsc23)c(F)c1)c1nnn(-c2ccc(Cl)cc2)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZISGDYRMAXEPZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nnn(-c5ccc(F)cc5)c4C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZLYBOOUTVSFY-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(SC#N)cc2)nnn1-c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3234764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHCXYIYTCETLS-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEYVIOLSUDNCU-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN)nnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIRAONOHNMWJKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1c(Cl)cc2c(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)ncnc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZIIPHPCANRDN-RVMCJEEFSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc2ccc(cc2)OCCSC[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPUZJNBVVNXZTE-APVMBBOASA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)Cc2ccc(cc2)OCCSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVLGYVZLAZJIX-IHGYGDGGSA-N", "SMILES:CC1CCN(C[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@@H](CNCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDTVUDDUQZJDB-KQBMMHAASA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCCS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYBSBQRYYOXPH-NDEPHWFRSA-N", "SMILES:CN1CCC(=O)NCCSCCS(=O)(=O)CCN(Cc2ccc(C#N)cc2)CC(=O)N[C@@H](Cc2cc3ccc(Cl)cc3[nH]2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOBENSCBRZVSP-NRFSWKIWSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc([C@H](N)CO)no1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIINLXGWSVXPIL-CSKARUKUSA-N", "SMILES:CN(C)c1n/c(=N\\Cc2ccco2)ss1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOABWYTGIGCFB-LSDHQDQOSA-N", "SMILES:CCN(c1ccccc1)c1n/c(=N\\Cc2ccc(-c3ccccc3)o2)ss1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1322633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJOQQHVEVIMNS-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(Nc3nc(O)cc(CSc4nnc(C)s4)n3)nc(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWQLSIBNGFNHPL-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Br)cc3F)c(C)s2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOWPHORIZEDLE-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Nc2c(-c3ccncc3)[nH]c3ccc(Cl)cc23)cc(OC)c1"]}
{"name": "V-set and immunoglobulin domain-containing protein 8", "xref": ["CHEMBL.TARGET:CHEMBL5169113"], "id": "UniProtKB:P0DPA2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTKPRTUDYRHCNA-SVDPJWKOSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)C1(C(=O)N[C@@H](CC(N)=O)c2nc([C@H](N)CO)no2)CCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFFRTGIUJUFLGJ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCc1cccc(-c2nc3ccc(-c4ccccc4)c(C)c3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIAJXBVCANDIRN-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBILVISNRAVIPV-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(=O)NCCCCCCN3CCc4ccccc4C3)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTAPKDHJFYJWDL-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(=O)N3CCCC3)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTNKYLZCROSXPM-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(=O)N3CCC3)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBNUHALRRHSEI-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVLNEXCLWEPBN-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOAIGPIPAOVKX-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(C(=O)N4CCCCC4)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVQGIYWSGZIFT-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(C(=O)NCCC(C)C)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJGDBYQVHKTKOH-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(C(=O)Nc4ccccc4)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLHDMDOLPFCFIS-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXKRDEGPUVHRJG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOZZNBVFIYZVML-UHFFFAOYSA-N", "SMILES:CCCN1CCN(C(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPGYNYVHUHIKE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOVNJHSFSFVEG-KGVSQERTSA-N", "SMILES:O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPRSSRSFRNVQAA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQZNPBBKHJWOJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1)N1CCN(Cc2cccc(OC(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGYXLUNFZFTLRV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHCVOXNPQHJPV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1)N1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHPCYGJFBKVFG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJWYKGRNDFWLJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(C(=O)c3ccc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYYFYFMYOLBDG-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(CN2CCN(C(=O)c3ccc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKQPABEUKOSHS-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C(=O)c3ccc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOSKVAZJAHNTK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CN2CCN(C(=O)c3ccc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHMSMTUDFJNLKZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CN2CCN(C(=O)c3ccc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)nc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCSWIYYQKJFRG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1)N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXLRDUWCUJQSGC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1)N1CCN(Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQPXRHJHNSYKB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1)N1CCN(Cc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCZEAOFTKUBET-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1)N1CCN(Cc2ccc(Br)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGFBHRLMXSUREZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1)N1CCN(Cc2ccc(Br)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBNAWMKZWMTFG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHWWEZQPMMZLFE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNNKAVJDKVEGJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(F)cc3)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMTJWWUDDTWQOT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SENCLODWUCPPCY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(Br)cc3)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWIWEWFHOSMOPA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)cn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVHKJJDIMCXDB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAMNPWQUSIAASY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3ccc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)cn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYQBAQVQFBLEW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQXNJEANVPWFMW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)co2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWSASKIHHYBCBK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEWPIBGYQJBRA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDCPMVSCPGUAD-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cn1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCIPVXNTJWZJG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cn1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XODFMRAMKZURSS-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)ccn1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJQIPEBIYSNPRE-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKBMWCUWNGTJNR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)s1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGLFSNZWRYADFC-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBPIBGNBHHGLEB-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVPPKZCHNVLJC-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLMUWPSPDSKZJC-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYAZUVAPGBAUDQ-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKVCNFBVVCBHG-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)-c1c([nH]c3ccc(C#Cc4ccncc4)cc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARRTHAKOFJRJD-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)-c1c([nH]c3ccc(-c4ccc(F)cc4)cc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJFCVWLQATZEIU-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)-c1c([nH]c3ccc(-c4ccc(F)cc4)cc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBOAVBWIZVICB-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)-c1c([nH]c3ccc(-c4ccc(F)cc4)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRNOPRTQOXULA-UHFFFAOYSA-N", "SMILES:CC(C)C(O)C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJFILSXIUASBKQ-UHFFFAOYSA-N", "SMILES:CC(C)C(O)C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYAFJLRLMLTUOD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3[nH]c4c(c3c2)-c2nc(N)ncc2CC4)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSZCMFUNDAQHU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3[nH]c4c(c3c2)-c2nc(N)ncc2CCC4)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVGXKKGABQCPAD-UHFFFAOYSA-N", "SMILES:Cn1cncc1C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRWVBDQMDDXQN-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)-c1c([nH]c3ccc(C#CC4CC4)cc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSQDEUYZIWULK-UHFFFAOYSA-N", "SMILES:CN(C)CC#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DORZPJWJOBMQKC-UHFFFAOYSA-N", "SMILES:CN(C)CC#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEOKTZLKOGDIBJ-UHFFFAOYSA-N", "SMILES:COC(C)(C)c1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKWXNMWBYFXVMR-UHFFFAOYSA-N", "SMILES:CC(O)c1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQQOBFQDOYBUQK-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)-c1c([nH]c3ccc(CCO)cc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLIAYYLDNAERTP-UHFFFAOYSA-N", "SMILES:CC(C)(CO)c1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NREDXJZFHGHADH-UHFFFAOYSA-N", "SMILES:CC(C)(O)Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSGGSMODQNOVOP-UHFFFAOYSA-N", "SMILES:CCC(C)(O)c1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UURQNWXEVMJFBX-UHFFFAOYSA-N", "SMILES:CCC(O)(CC)c1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPQLOIBNJAOMDO-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)-c1c([nH]c3ccc(C#CC4CC4)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPATYMTVHBVJAQ-UHFFFAOYSA-N", "SMILES:CN(C)CC#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZQYGBLRIKROZ-PCLIKHOPSA-N", "SMILES:Cc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INFDJALQBVLUOK-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)-c1c([nH]c3ccc(C#Cc4ccncc4)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWCBPZQPTVVVHF-UHFFFAOYSA-N", "SMILES:CC(C)(NS(C)(=O)=O)c1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGQMICHNOAJAA-UHFFFAOYSA-N", "SMILES:Cn1cncc1C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVFOAKTTGQHLJ-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)-c1c([nH]c3ccc(C4CC4)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDDRBMLTVYICJA-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)-c1c([nH]c3ccc(C#Cc4ccncc4)cc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWAHPPYGDFMJFS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(CNCC(C)N(CC)CCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSOBPHXKKHPWMU-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKHWZCRCSEFMQ-CQSZACIVSA-N", "SMILES:O=C(N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPIVZXBWXQEDN-CQSZACIVSA-N", "SMILES:O=C(N[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYAWYBQJGAVBA-CQSZACIVSA-N", "SMILES:O=C(N[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXFXRUIMSUVKGI-CQSZACIVSA-N", "SMILES:O=C(N[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJQFIAYQGLOHFA-OAHLLOKOSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)C4CC4)C3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMAKWDAYIZVBCK-CQSZACIVSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)C4CC4)C3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDFVOFHYPDDQV-CQSZACIVSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)C4CC4)C3)n[nH]2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJVHNZZWKZCER-GFCCVEGCSA-N", "SMILES:O=C(N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJOCCFJGNOEHKE-CQSZACIVSA-N", "SMILES:O=C(N[C@@H]1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSCPDLILXGDRHD-LLVKDONJSA-N", "SMILES:O=C(N[C@@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKMNAONVCKTISR-CQSZACIVSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)Nc3ccccc3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVCSJODPFMCNH-CQSZACIVSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPEPZYXZTFFTAN-OAHLLOKOSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)NCc3ccccc3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOQJWBZGORHSL-GFCCVEGCSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)NCc3ccco3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLHIABIGFGBWOM-CQSZACIVSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=S)Nc3ccccc3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWTCXRFPZGVVGP-OAHLLOKOSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUCRCTGAUCRYTC-GFCCVEGCSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)N3CCOCC3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDYWCSBUABFPPK-GFCCVEGCSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)N3CCSCC3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHNXXFIGQGEWNW-CQSZACIVSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)NC3CCCCC3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLLHJMCCTWKKTC-CYBMUJFWSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)NC3CCCC3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYWAYIFAZBIOG-GFCCVEGCSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)N3CCCC3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSMPEBHTSITSG-LLVKDONJSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKZPKDQLTYTRM-LLVKDONJSA-N", "SMILES:C#CCNC(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFJISDIFTSFLGM-SNVBAGLBSA-N", "SMILES:CCNC(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJSHQXWRKXDBE-CQSZACIVSA-N", "SMILES:O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRRDRGRRMIDGS-CQSZACIVSA-N", "SMILES:C#CCNC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SATZYNJPGNRULO-CYBMUJFWSA-N", "SMILES:CCNC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHEVBAQSQCCPJW-CYBMUJFWSA-N", "SMILES:CN(C)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHAQOWVCDMMMFH-OAHLLOKOSA-N", "SMILES:CCN(CC)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJRUKQXDRIHOS-OAHLLOKOSA-N", "SMILES:CC(C)N(C)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZNITZBQPXEMCA-OAHLLOKOSA-N", "SMILES:CN(C)CCNC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVPXQREVLZXHZ-QGZVFWFLSA-N", "SMILES:CN(CCNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XURPZCBWXJMJGU-CQSZACIVSA-N", "SMILES:CN(C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYBINHZDIFXKV-OAHLLOKOSA-N", "SMILES:CCN(C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZILFDCCFPBIMO-OAHLLOKOSA-N", "SMILES:CN(C(=O)NC1CC1)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENLHCYSNQJOBT-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1"]}
{"name": "DNA polymerase theta", "xref": ["CHEMBL.TARGET:CHEMBL6025"], "id": "UniProtKB:O75417", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDIZVCLMDGXOMK-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nc2c(c1C(F)(F)F)CCCC2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKTADXRWQOQPPL-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nc2c(c1C(F)(F)F)CS(=O)(=O)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJYMFWZWFSBXFB-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nc2c(c1C(F)(F)F)CCC2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRDAJCDJEHKPSL-UHFFFAOYSA-N", "SMILES:Cc1c2c(nn1CC(=O)N(C)c1ccccc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGLFHHUQMHMFW-UHFFFAOYSA-N", "SMILES:CC1CCc2nn(CC(=O)N(C)c3ccccc3)c(C(F)(F)F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCDNKWOGSPQGW-UHFFFAOYSA-N", "SMILES:CC1Cc2nn(CC(=O)N(C)c3ccccc3)c(C(F)(F)F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVLHIPALZBBIQT-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nc2c(c1C(F)(F)F)C(C)(C)CC2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDFDSJQEMLLMP-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nc2c(c1C(F)(F)F)CC(C)(C)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDGLSBMBABYNBF-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nc2c(c1C(F)(F)F)CCC2(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XALMTZHXZDHUQF-UHFFFAOYSA-N", "SMILES:CN(C(=S)Cn1nc2c(c1C(F)(F)F)CCC2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXAMZDAXRDSKRW-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJZTEUCYTYWAY-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccccc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPPAYVPIDJCRIG-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc(Cl)cc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COGNDFMIALODCQ-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc(C2CC2)cc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCIJOSJVCUQMX-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ncc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYINBTDTANUWPJ-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1c(C(F)(F)F)cc(C(F)(F)F)cc1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHNJGXBWZRDHF-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZOUQDCHUGKSI-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFHCXSKKBLNRB-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKCDSSOZSYYJW-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKCDSSOZSYYJW-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])N(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAVHWUOBZBJNRQ-UHFFFAOYSA-N", "SMILES:N#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBPRRDKVNQRHZ-UHFFFAOYSA-N", "SMILES:C#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTCGSMADLUHJV-UHFFFAOYSA-N", "SMILES:CC(=O)NCC#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIABWFZOQITRU-UHFFFAOYSA-N", "SMILES:O=C(NCC#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUBJQCOTLYDUAU-UHFFFAOYSA-N", "SMILES:O=C(NCC#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSWONFYWQQRYIS-UHFFFAOYSA-N", "SMILES:Cc1nnc(C(=O)NCC#CCN(C(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWDIUCBHKQPJNL-UHFFFAOYSA-N", "SMILES:Cn1cncc1C#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDLMLJWGPEBHA-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)N(CC#Cc1ccccn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNGUAPSDHCJLI-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)N(CC#Cc1cccnc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIZFEDMSJMKBIB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)N(CC#Cc1cccc(=O)[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFYDKGTGRCYJJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)N(CC#Cc1ncccn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSRPWBBDHKGCX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)N(CC#Cc1cccnn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INENMUFQXXEJFH-UHFFFAOYSA-N", "SMILES:Cn1cnc(C#CCN(C(=O)Cc2ncc(C(F)(F)F)cc2C(F)(F)F)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXMTWFYZDBZJF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ncc(C(F)(F)F)cc1C(F)(F)F)N(CC#Cc1cnn(C2CNC2)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYRHFMYYZPAIDB-UHFFFAOYSA-N", "SMILES:CC(C(N)=O)n1cc(C#CCN(C(=O)Cc2ncc(C(F)(F)F)cc2C(F)(F)F)c2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXXZMBZFKVQQJN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cn1cc(C#CCN(C(=O)Cc2ncc(C(F)(F)F)cc2C(F)(F)F)c2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSMVUTVLSYSNJ-UHFFFAOYSA-N", "SMILES:Cn1nc(N)cc1C#CCN(C(=O)Cc1ncc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDIPVNFUWAQCMG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ncc(C(F)(F)F)cc1C(F)(F)F)N(CC#Cc1ccc(C2CCNC2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYSOFBQLPMQEU-UHFFFAOYSA-N", "SMILES:COc1ccc(C#CCN(C(=O)Cc2ncc(C(F)(F)F)cc2C(F)(F)F)c2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGCEOBHDIKMOW-UHFFFAOYSA-N", "SMILES:COc1ncc(C#CCN(C(=O)Cc2ncc(C(F)(F)F)cc2C(F)(F)F)c2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILKBRFLTBJBHJJ-UHFFFAOYSA-N", "SMILES:Nc1ncc(C#CCN(C(=O)Cc2ncc(C(F)(F)F)cc2C(F)(F)F)c2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPIGYKNEVAEXKM-UHFFFAOYSA-N", "SMILES:Nc1cnc(C#CCN(C(=O)Cc2ncc(C(F)(F)F)cc2C(F)(F)F)c2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHFFKHVGAKIDNO-UHFFFAOYSA-N", "SMILES:Nc1ccc(C#CCN(C(=O)Cc2ncc(C(F)(F)F)cc2C(F)(F)F)c2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSRSGNJGYXKOAC-UHFFFAOYSA-N", "SMILES:CCn1cc(Nc2ncc3ccn(-c4ccc(OC)cc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHYZZHZFRQDMNW-UHFFFAOYSA-N", "SMILES:CCn1cc(Nc2ncc3cnn(-c4ccc(OC)cc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNNYZIXGCNFMEP-UHFFFAOYSA-N", "SMILES:CCn1cc(Nc2ncc3c(C)nn(-c4ccc(OC)cc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKHWUKCTVZPIOU-UHFFFAOYSA-N", "SMILES:CCn1cc(Nc2ncc3c(C)nn(-c4ccc(C#N)cc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFLWIIWVUALNFK-UHFFFAOYSA-N", "SMILES:CCn1cc(Nc2ncc3c(C)nn(-c4ccc5ncccc5c4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZAIUWQZYNQPRR-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(C4CCNCC4)c3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBOGRZKSLGTJG-UHFFFAOYSA-N", "SMILES:Clc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(C4CCNCC4)c3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJDMEVRUNCZJN-UHFFFAOYSA-N", "SMILES:Brc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(C4CCNCC4)c3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESJXTQPHICETO-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(C4CCNCC4)c3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPVZNOMOFDYFHZ-SHTZXODSSA-N", "SMILES:COCCNC(=O)[C@H]1C[C@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXXRLGYRSUOAR-JKSUJKDBSA-N", "SMILES:COCCNC(=O)[C@H]1CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXXRLGYRSUOAR-CVEARBPZSA-N", "SMILES:COCCNC(=O)[C@@H]1CC[C@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXXRLGYRSUOAR-HOTGVXAUSA-N", "SMILES:COCCNC(=O)[C@H]1CC[C@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXXRLGYRSUOAR-HZPDHXFCSA-N", "SMILES:COCCNC(=O)[C@@H]1CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOPGMSWMRUESSB-HZPDHXFCSA-N", "SMILES:COCCC(=O)N[C@@H]1CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVVZFQJAAIFCX-WOVMCDHWSA-N", "SMILES:COCCNC(=O)[C@H]1CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVVZFQJAAIFCX-JCNLHEQBSA-N", "SMILES:COCCNC(=O)[C@H]1CC[C@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUUYRPYIBKKRRI-HUUCEWRRSA-N", "SMILES:COCc1noc([C@@H]2CC[C@@H](Nc3ncc4c(Br)nn(-c5ccc6ncccc6c5)c4n3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAEKFAHNWPAWRK-HUUCEWRRSA-N", "SMILES:Brc1nn(-c2ccc3ncccc3c2)c2nc(N[C@@H]3CC[C@@H](c4ncc[nH]4)C3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDNMCJGFKIMJP-UKRRQHHQSA-N", "SMILES:CNS(=O)(=O)[C@@H]1CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOORGTAEHQTNBQ-HZPDHXFCSA-N", "SMILES:COCCS(=O)(=O)N[C@@H]1CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLARJVWOEFSGDJ-CYBMUJFWSA-N", "SMILES:CS(=O)(=O)N1CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKOAXHQDKOTOAK-ZIAGYGMSSA-N", "SMILES:CNC(=O)[C@@H]1CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHSMQOOGNEJQV-JLCFBVMHSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc5ncccc5c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIYBZYGHQFKNSV-JLCFBVMHSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)o5)cc4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASGMFNBUXDJWJJ-JLCFBVMHSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)cc4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWVBLIPMSCJZTO-IQMFZBJNSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5cnc(C)s5)cc4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTTBCYYRKQAWBU-IQMFZBJNSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5ncc(C)s5)cc4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWONKIZDBRZSMH-MCMMXHMISA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)cc4F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEPTSMFTAGCEQ-VERVWZFWSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(F)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URDSPGFWWLEKBJ-QKFKETGDSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(CO)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYMNYVTTBCOHI-OYLFLEFRSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(CCO)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEJGCZOMUHQLON-JCQPUDPBSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(S(C)(=O)=O)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRQRHWXMUCKTI-OYLFLEFRSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(CS(C)(=O)=O)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSWRRAICGUIZHV-PUAOIOHZSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(CCS(C)(=O)=O)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPSOQLCGIGKMT-OYLFLEFRSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(CNS(C)(=O)=O)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYLFBBHVQXOAKZ-OYLFLEFRSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(CCN)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZXMJNNWMMPTPT-WGDIFIGCSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(CCN(C)C)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGOLUAWPKSADL-QKFKETGDSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(C#N)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFAZKKZRIOFNKG-OYLFLEFRSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(CC#N)c4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQHBSOKKLDILZ-PUAOIOHZSA-N", "SMILES:CNC(=O)[C@]1(C)CC[C@@H](Nc2ncc3c(Br)nn(-c4ccc(-c5nnc(C)s5)c(CCC#N)c4)c3n2)C1"]}
{"name": "Cyclin-dependent kinase-like 4", "xref": ["CHEMBL.TARGET:CHEMBL4523326"], "id": "UniProtKB:Q5MAI5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSFGCMJKYHQRQQ-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNXQWZAMUMUEX-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWYGJWQCPQFQS-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGWOAVOASXXIH-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOLGUWNZPMDNR-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICPFGTHYOUKTHB-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSMYBISXRLILA-UHFFFAOYSA-N", "SMILES:CN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFFYLRAOVQQZOQ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGKWPRXQRCWKRE-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIBQQIGYPVCDSZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMPRRTXLBJHTKM-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKAARFSWBSORKE-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVPYJSSYGACUSE-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ncc(C(=O)NCCN(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2141887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUGBSGLHRJSSP-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPCZMCBKNDKLK-UHFFFAOYSA-N", "SMILES:N#CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQRSOXWOSCNGR-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYUODJKGLZQFI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(CCc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWPKKKDWKQTSH-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGXUYZADSXMCRA-UHFFFAOYSA-N", "SMILES:C#CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNCIWNGCMAKKEO-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGVJMITKNOVTP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRRKRVPHDPZFRL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(Cc1ccccc1)Cc1cn(Cc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHHANVFFZKSSTL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(CCc1cn(Cc2ccccc2)nn1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLPPRDDOZREKL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(Cc1ccccc1)Cc1cn(Cc2ccncc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPBENYBEKUTRG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(Cc1ccccc1)Cc1cn(Cc2ccc(Cl)c(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUFGUQQFYCNHW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(Cc1ccccc1)Cc1cn(Cc2cn3cccnc3n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMKNMMBASCLFQI-UHFFFAOYSA-N", "SMILES:Cc1nc(Cn2cc(CN(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)nn2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLXSFXMARKPVQQ-UHFFFAOYSA-N", "SMILES:O=C1NCC(Cn2cc(CN(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)nn2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNRZTXCSUROSS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(Cc1ccccc1)Cc1cn(Cc2ccccc2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212948", "category": ["biolink:ChemicalEntity"], "name": "DAMNACANTHAL", "xref": ["InChIKey:IPDMWUNUULAXLU-UHFFFAOYSA-N", "SMILES:COc1c(C=O)c(O)cc2c1C(=O)c1ccccc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5209373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGBAEXPBQHBSV-UHFFFAOYSA-N", "SMILES:Cc1c2cc[nH]c(=O)c2c(C)c2c1[nH]c1ccc(OC(=O)c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356433", "category": ["biolink:ChemicalEntity"], "name": "LX-7101", "xref": ["InChIKey:PWPNYABQEOGNNC-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12"], "synonym": ["Lx-7101", "LX-7101", "LX7101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAFZDRJQBAXCDT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1c(Cl)n(CC#Cc2cccc(O)c2)c(=O)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHHECINHPECJV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC(=O)Nc2c(Cl)n(CC#Cc3ccc(O)cc3)c(=O)n(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQLOOCNHALQDQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC(=O)Nc2c(Cl)n(CC#Cc3ccc4c(c3)CCC(=O)N4)c(=O)n(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSRNJYTNQHJIO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCC(=O)Nc2c(Cl)n(CC#Cc3ccc(O)c(Cn4ccccc4=O)c3)c(=O)n(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPNYONUEQYJRV-UHFFFAOYSA-N", "SMILES:COc1ccc(C#CCn2c(Cl)c(NC(=O)CCc3ccc(C)cc3)c(=O)n(C)c2=O)cc1Cn1cccc(OC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDOKDNDKHXYHZ-UHFFFAOYSA-N", "SMILES:COc1cccn(Cc2cc(C#CCn3c(Cl)c(NC(=O)CCc4ccc(C)cc4)c(=O)n(C)c3=O)ccc2O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQLCNOQWGSELY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(S(C)(=O)=O)n2C)n(CC#Cc2cccc(O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPCZTDKAJLINE-SOFGYWHQSA-N", "SMILES:COc1nccnc1NSc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWHDEWIRPFYPEB-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLBLRZRJQYFTA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCCCCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYQOOBXTZRTTLU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCCCCCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKLRFRPPUKNLFC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCCCCCCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGOMDKIQRWVQTK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCCCCCCCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZSLVYCGVAKCK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(Cc5ccc(NC(=O)CCCCCCC(=O)NO)cc5)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTYUAFQIQYXAKJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(c5ncc(C(=O)NO)cn5)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHJETVEXXFHTH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)CCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJNYFHKEXRKTF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)CCCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYLLAKYWMVLMY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)CCCCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIRORUAGZMWOAR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)CCCCCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCURVOWIYBEJN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(NC(=O)CCCCCCC(=O)NO)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIGYCDMFMLUEK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(NC(=O)CCCCCC(=O)NO)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSFGDQXMIGORY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc(NCCCCC(=O)NO)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXZZYZIMFKWDBI-UHFFFAOYSA-N", "SMILES:C=C(CCCCCNc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBYSRVZIARRRO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc(NCCCCCCC(=O)NO)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXTCHKIXFNWLQJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc(NCCCCCCCC(=O)NO)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTOOGKEYKXSNK-XMMPIXPASA-N", "SMILES:CC[C@@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(c5ncc(C(=O)NO)cn5)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRXOGKDTOZIRP-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(N3CCN(CCCCCCCCC(=O)NO)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMARLJMFOCZJZ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(N3CCN(c4ncc(C(=O)NO)cn4)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALNIDQATFQWSC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZARWWFLESYISHZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCCCCC(=O)NO)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKPCSPXPMAWCPG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(Cc5ccc(C(=O)NO)cc5)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNZSQAILWSXLZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(Cc5ccc(C(=O)NO)o5)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVJHVWBGQFZMDU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc(NC(=O)CCCC(=O)NO)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDFLFJPHUDSRBY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc(NC(=O)CCCCC(=O)NO)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZEGFVSITXOBKO-SSEXGKCCSA-N", "SMILES:CC[C@@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCCCCC(=O)NO)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSFKBQGSFSOSM-JOCHJYFZSA-N", "SMILES:CC[C@@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHJAGCFBPKQPDU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSGJIUAIYDKFPC-DABHTEOTSA-N", "SMILES:OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXISTOYAZFSXTN-OBJCFNGXSA-N", "SMILES:N#Cc1ccc(S[C@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182222", "category": ["biolink:ChemicalEntity"], "name": "SELVIGALTIN", "xref": ["InChIKey:FNCLKJPMEFPXOR-QFACEVIFSA-N", "SMILES:OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O"], "synonym": ["Selvigaltin", "Selvigaltine", "Selvigaltina", "Gb1211", "GB-1211", "GB1211", "Selvigaltin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCTDTDIGWKYFBU-ZWUHGNBASA-N", "SMILES:CCCCSC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cccc(F)c4)nn3)[C@H]2O)[C@H](O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLNRSUAORHNLOW-AQMNXNADSA-N", "SMILES:C[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cccc(F)c4)nn3)[C@H]2O)[C@H](O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOAIBUSJDFUFDE-KHSAKVFQSA-N", "SMILES:CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZKZJAACJKGHX-RQSWOZRGSA-N", "SMILES:COc1cccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVXTRRKWGDVAN-RQSWOZRGSA-N", "SMILES:Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOAIBUSJDFUFDE-WHCFWRGISA-N", "SMILES:CC(=O)Nc1ccc(S[C@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)cc1"]}
{"name": "Galectin-1", "xref": ["CHEMBL.TARGET:CHEMBL4523183"], "id": "UniProtKB:P11762", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXISEANZJOYOLZ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2c(O)nn3ccccc23)ccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAABWDSRAWCVBC-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccccc2)c(C)cc1NC(=O)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPSKAMFHCMMIG-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccccc2)ccc1NC(=O)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JABKJLQKEVJGOT-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2c(O)nn3ccccc23)c(C(C)C)cc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLAPQJIQMWVQKM-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccccc2)c(C(C)C)cc1NC(=O)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYQYTMVYURVVHQ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2c(O)nn3ccccc23)c(OC(C)C)cc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTXUXZJRPXUMO-UHFFFAOYSA-N", "SMILES:CCC(C)Oc1cc(Oc2ccccc2)c(C)cc1NC(=O)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGVKHMSVKUQKCN-UHFFFAOYSA-N", "SMILES:CCC(CC)Oc1cc(Oc2ccccc2)c(C)cc1NC(=O)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVBJYRYOMDDMO-UHFFFAOYSA-N", "SMILES:CCCC(C)Oc1cc(Oc2ccccc2)c(C)cc1NC(=O)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUCMILCWJLWCF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(ccn2-c2ccccc2)c1)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDYMEMVGARPOC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)nnn2-c1ccccc1)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENHFEQJXCAGCJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Sc2ccncc2)c(C)cc1NC(=O)c1c(O)nn2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBISIGCTJJXOY-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2c(O)nn3ccccc23)c(C(C)C)cc1Oc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUIIKFVYLTYJA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2c(O)nn3ccccc23)c(C(C)C)cc1Oc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKEVNHGVRXQWRJ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(C#N)cc3cn[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGDXZJBGCQOZLE-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(C#N)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUEDGAAZRJTKOK-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(Cl)cc3c(C(C)C)n[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKRZYUNDJIOAPW-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(C#N)cc3c(C(C)C)n[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZZUNCXKCLNTHB-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(-c3ccccc3)n[nH]c2c(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVTLWADEYARHQD-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(Cl)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDMOOGGSAAZHAT-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nccc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOWIESEBCJGBI-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(CN)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKSSZSSHEYBEPE-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(CNCc3ccccc3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETNTKCUALKWED-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(CNCc3cccnc3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEEPNOPDXUGEBT-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(CNCC3CCN(C)CC3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LABUOQVBWAXPSG-UHFFFAOYSA-N", "SMILES:Cn1nc(NC(=O)CNc2ccccc2)c2cc(Nc3ccccc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYBPJNFBBWLYQS-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLOYXGAZLBJFMU-UHFFFAOYSA-N", "SMILES:Cn1nc(NC(=O)c2ccccc2)c2cc(Nc3ccccc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXOSYNDAOHAYJW-UHFFFAOYSA-N", "SMILES:Cn1nc(NC(=O)Nc2ccccc2)c2ccnc(NC3CCCCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSJQHPSSYYSCPO-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c(=O)c2[nH]c(C3CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL122622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHKDLYFKPBXER-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKEAVOKZERZNPJ-LKSINWNRSA-N", "SMILES:CC[C@@H]1CN2C(=O)N(C)C3N=C(c4ccccc4)NC3C2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXGKPHHQDOPMEW-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)n(CC3CC3)c(=O)c3c2nc2cc(OC)ccn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXAWAIYNEJHEJJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(CCCCCCCCNC(=O)CC67CC8CC(CC(C8)C6)C7)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAEPJTNPQNBKFI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(CCOCCOCCNC(=O)CC67CC8CC(CC(C8)C6)C7)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRIZPKSGZTUPC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(CCCCCCNC(=O)CC67CC8CC(CC(C8)C6)C7)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFGWXRRDUURBNN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(CCCCCCCCCCNC(=O)CC67CC8CC(CC(C8)C6)C7)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNQBRNWRXOUUPQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(CCCCCCCCCCCCNC(=O)CC67CC8CC(CC(C8)C6)C7)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWZQWGOUQCGYPO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(CCCCCCCCCCCCCCNC(=O)CC67CC8CC(CC(C8)C6)C7)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBJVWVMAZRVJBI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCCCCCCCCCCCNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(N)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOOCPBLZCOVDIQ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCCCCCCCCCCCNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(C)=O)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQXEVQGLSPXRS-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(CCCCCCCCCCCCNC(=O)CC67CC8CC(CC(C8)C6)C7)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSRYZGUADWFRFX-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCCCCCCCCCCCNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C(C)C)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSALARRZCZNDM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCCCCCCCCCCCNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C4CC4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDLIDHYVQOXIS-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CCCCCCCCCCCCNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C(C)(C)C)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGFJMFVVYIJPT-UHFFFAOYSA-N", "SMILES:C#CCN(CCCCCCCCCCCCN1CCN(c2ccc(Nc3ncc4c(C)cc(=O)n(-c5cccc(NC(=O)C6CC6)c5)c4n3)c(OC)c2)CC1)C(=O)CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMAMAJIUFGBUCB-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCN4CCN(c5ccccc5Cl)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGVWGBFLSMRALL-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCOc2cc3c4c(nccc4c2)-c2ccccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFGUHAZBPFLKM-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQSBXBXSCSARIH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCN4CCN(c5ccccc5F)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHWJUOYQHDEQD-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCN4CCN(c5ccccc5)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRXSMCHDVCNGCJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCN(c5ccccc5Cl)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTFTGXWVUFBSE-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCOc2cc3c4c(nccc4c2)-c2ccccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEDNWJZAPHNGGJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWRCLKVKZRBZJA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCN(c5ccccc5F)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIUUTLUKCRPAX-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCN(c5ccccc5)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBCCSIJAUTPNR-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCCN4CCN(c5ccccc5Cl)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLMWOMKRUCODBI-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCOc2cc3c4c(nccc4c2)-c2ccccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACMUWEPQJZXNBW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMLRYAOQDOORLC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCCN4CCN(c5ccccc5F)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCELJLPFHIXIAU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCCN4CCN(c5ccccc5)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1917529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIFJSIDSHVJPGC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(O)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVRHQFXQFSBQK-XWGVYQGASA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVRHQFXQFSBQK-GXBCDIMNSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccn(C(CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRXRTNWAJNBEF-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(F)cc4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMCWQXGRNJJTRS-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2ccc3ncc4nc(C)n(-c5ccc(F)cc5)c4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLFWEYDFWIIRI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc3ncc4nc(C)n(-c5ccc(F)cc5)c4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAQGTBDURFAHOJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2ccc3ncc4nc(C)n(-c5ccc(F)cc5)c4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXKLBHOPXDGYOK-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(O)cc4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQZJVOZBJXXOIS-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(N)cc4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTKYFNVFXBQFLF-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(N)nc4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRZJWDKMFQMSHP-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc(N)nc4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYVINBBELWEZDW-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc(N5CCOCC5)nc4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIUQGEQZQMVVEV-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc5[nH]ccc5c4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCBAMRLYXORPZ-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIEOBOBDKBKWFH-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNJYUHUXRYSOSQ-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc5ccccc5c4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKSAJTWJYHTQB-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJNGOTGGHJKMLA-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1CC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRGDZWMDGXZPS-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHGBQENCMLNFDY-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEITDZFTWWPRV-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJSSCHPUSPPZEI-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C)nc3cnc4ccc(-c5cnc6[nH]ccc6c5)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGZQEUGRRIQARD-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYQSXBVQOKJMY-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIGWXXNOVEAKK-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRDNXTRKLOCKPG-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWRHUAQAKYKWGX-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(CC#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCAPRQLXOINLF-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(C(C)(C)C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLGGOMJKNXZFK-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3cc(F)c(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(C(C)(C)C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDUUUKXVZOZLSS-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(C(C)(C)C#N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBGJBHLOOHMDO-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSXXBVEPLHKET-INIZCTEOSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSXXBVEPLHKET-MRXNPFEDSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHWYKCLGMJMUPA-HNNXBMFYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1[C@@H](C)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHWYKCLGMJMUPA-OAHLLOKOSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1[C@H](C)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVNGZKQLPTVURN-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(Cl)cc4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBDILWXCGRGTSO-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(C#N)cc4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOTNIAWLDREZPQ-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(C(F)(F)F)cc4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGPPHABKCXUNM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3ncc4nc(C)n(-c5ccc(F)cc5)c4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQNEYRWYZWPEN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3ncc4nc(C)n(-c5ccc(F)cc5)c4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJUBCORVUHEBMP-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnn(C)c4)cc3c2n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCNANRVHOSQOHX-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRGETUCKZEDSQ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2ncc3nc(C)n(-c4ccc(F)cc4)c3c2c1"]}
{"name": "Serine/threonine-protein kinase mTOR", "xref": ["CHEMBL.TARGET:CHEMBL1075134"], "id": "UniProtKB:P42346", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZAUDQVIPYULKJ-INIZCTEOSA-N", "SMILES:Cc1cccc(N(C)C(=O)[C@@H]2CCC(=O)N2c2cc(C(F)(F)F)cc(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMDHAMZFMNMTF-ROUUACIJSA-N", "SMILES:Cc1cccc(N(C)C(=O)[C@@H]2[C@@H](O)CCN2c2nc(C)cc(C(F)(F)F)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMDHAMZFMNMTF-MSOLQXFVSA-N", "SMILES:Cc1cccc(N(C)C(=O)[C@@H]2[C@H](O)CCN2c2nc(C)cc(C(F)(F)F)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAQDVYGMYVIYHD-QAPCUYQASA-N", "SMILES:Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H](O)CN2c2nc(C)cc(C(F)(F)F)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAQDVYGMYVIYHD-YJBOKZPZSA-N", "SMILES:Cc1cccc(N(C)C(=O)[C@@H]2C[C@H](O)CN2c2nc(C)cc(C(F)(F)F)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIXXBOOOTXYVCU-LPHOPBHVSA-N", "SMILES:CCN(C(=O)[C@@H]1C[C@H](O)CN1c1nc(C)cc(C(F)(F)F)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHGQUTFYDJOQBD-KRWDZBQOSA-N", "SMILES:CCN(C(=O)[C@H](CO)Nc1nc(C)cc(C(F)(F)F)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGDQFOMHMCGNZ-IBGZPJMESA-N", "SMILES:CCN(C(=O)[C@@H]1COCCN1c1nc(C)cc(C(F)(F)F)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFVOJXPAMNVMSM-FQEVSTJZSA-N", "SMILES:Cc1cccc(N(C(=O)[C@@H]2CCCN2c2nc(C)cc(C(F)(F)F)c2C#N)C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDIFRIQWDLSJQO-FQEVSTJZSA-N", "SMILES:CCN(C(=O)[C@@H]1CCCN1c1nc(C)cc(C)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOICNUXFQJXOQ-CQSZACIVSA-N", "SMILES:CCN(C(=O)[C@@H](C)Nc1nc(C)cc(C(F)(F)F)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOICNUXFQJXOQ-AWEZNQCLSA-N", "SMILES:CCN(C(=O)[C@H](C)Nc1nc(C)cc(C(F)(F)F)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSQPPSWFYDOUHV-KRWDZBQOSA-N", "SMILES:CCN(C(=O)[C@H](C)Nc1nc(C)cc(C(C)C)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUTVUHGMXCMPT-INIZCTEOSA-N", "SMILES:CCN(C(=O)[C@H](C)Nc1nc(C)cc(C)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYDHDRVUYDUAB-UHFFFAOYSA-N", "SMILES:CCN(C(=O)CNc1nc(C)cc(C)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFYYUSLKAOHDY-UHFFFAOYSA-N", "SMILES:CCN(C(=O)COc1cc(C(C)C)cc(C)n1)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDVRMRWVXYTJOV-UHFFFAOYSA-N", "SMILES:CCN(C(=O)COc1cc(C(F)(F)F)cc(C)n1)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDDLCISELFFRX-UHFFFAOYSA-N", "SMILES:CCN(C(=O)COc1cc(C)cc(C)n1)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFTSRQPYUSQTEG-UHFFFAOYSA-N", "SMILES:CCN(C(=O)COc1nc(C)c(Br)c(C(F)(F)F)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWOTTNKSIOXPC-UHFFFAOYSA-N", "SMILES:CCN(C(=O)COc1nc(C)c(Br)c(C)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTCLMZETDOJKC-UHFFFAOYSA-N", "SMILES:CCN(C(=O)COc1nc(C)c(Cl)c(C)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDRXLKVHBATRD-UHFFFAOYSA-N", "SMILES:CCN(C(=O)COc1nc(C)cc(C(F)(F)F)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIWXLKUWBMBFF-UHFFFAOYSA-N", "SMILES:CCN(C(=O)COc1nc(C)cc(C)c1C#N)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMAHYDVJLKORJN-HNNXBMFYSA-N", "SMILES:Cc1cccc(N(C)C(=O)[C@@H]2COC(=O)N2c2cc(C(F)(F)F)cc(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDJDIWUMJAZSU-HNNXBMFYSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(C)c2ccc(F)c(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMDMDVKPZLGIF-AWEZNQCLSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(C)c2ccc(F)c(C)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUSRTMBOVPYMQ-AWEZNQCLSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(C)c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDUVXJWCPZXDK-AWEZNQCLSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTICKPCDMXRDQN-HNNXBMFYSA-N", "SMILES:CCN(C(=O)[C@@H]1COC(=O)N1c1cc(C(F)(F)F)cc(C)n1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDMCSXBNQZMIK-INIZCTEOSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(c2ccc(F)c(Cl)c2)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWYXHQWGHFVDE-AWEZNQCLSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(C)c2cc(Cl)ccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUUIDXNHWIDIAR-AWEZNQCLSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(C)c2cc(Cl)c(F)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVYYPOQUOHSGF-ZDUSSCGKSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(C)c2cccc(Cl)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBQOCTGQXWQTCR-LBPRGKRZSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJTZETFVVSZYKC-GJZGRUSLSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)[C@@H](O)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCUYZRJBSZFZMR-HOTGVXAUSA-N", "SMILES:CCN(C(=O)[C@@H]1C[C@H](O)C(=O)N1c1cc(C(F)(F)F)cc(C)n1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOQPOQPDJNYRT-PBHICJAKSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)C[C@@H](O)[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPAXTQFKCMXTQX-ULQDDVLXSA-N", "SMILES:CCN(C(=O)[C@@H]1[C@H](O)[C@H](O)C(=O)N1c1cc(C(F)(F)F)cc(C)n1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJOABOMFPGRED-JYJNAYRXSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)[C@@H](O)[C@@H](O)[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZCNJWUKKGARR-HKUYNNGSSA-N", "SMILES:Cc1cccc(N(C)C(=O)[C@@H]2C[C@H](O)CN2c2nc(C)cc(C)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFCYMKAWXZBHF-YOEHRIQHSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](O)C[C@H]2C(=O)N(C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJCFEQHTVHYJCF-YOEHRIQHSA-N", "SMILES:Cc1cccc(N(C)C(=O)[C@@H]2C[C@H](O)CN2c2nccc(C(F)(F)F)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWMVPKKLGXJKDN-HQROJGGPSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N[C@@H](C)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1"]}
{"name": "PA-I galactophilic lectin", "xref": ["CHEMBL.TARGET:CHEMBL3351196"], "id": "UniProtKB:Q05097", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJRJBNDSPWJJC-FJCGINHCSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXZRNAXNPBSYGO-GJUDKZCESA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVAGTYPODGVJG-PZRMXXKTSA-N", "SMILES:CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL157265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBHRQDFSNCLOZ-YBXAARCKSA-N", "SMILES:O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5174651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVOXDUVLUIEFFZ-MWNXZECDSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1)C(=O)N[C@@H](C)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUORFDZHLBJEF-DHNUKCHLSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEJEHSVGIFBNH-ZRABRCQWSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVWGAOSSSTXJF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(OCCNCC2COc3ccccc3O2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEDZLCBOQTLOU-UHFFFAOYSA-N", "SMILES:CC(C)CS(=O)(=O)Nc1ccc(OCCNCC2COc3ccccc3O2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDRSXISLBNGOBW-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NC(CCOc1ccc(S(N)(=O)=O)cc1)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGMHRGRBDFTOT-UHFFFAOYSA-N", "SMILES:COc1cc(S(N)(=O)=O)ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAAJQZRMLUJAGE-UHFFFAOYSA-N", "SMILES:COc1cc(S(N)(=O)=O)cc(OC)c1OCCC(N=[N+]=[N-])C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHVPEVBTYVRTHA-UHFFFAOYSA-N", "SMILES:NC(CCOc1ccc(S(N)(=O)=O)cc1)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOIYEFLKONFTEX-UHFFFAOYSA-N", "SMILES:COc1cc(S(N)(=O)=O)ccc1OCCC(N)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUMNOCQXRVXQHH-UHFFFAOYSA-N", "SMILES:COc1cc(S(N)(=O)=O)cc(OC)c1OCCC(N)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIDRCLLZRECGD-UHFFFAOYSA-N", "SMILES:Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHKFOIHIUYFSOF-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3182065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBGGBHCJSAEIAS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPARBNSRQJBEM-HNNXBMFYSA-N", "SMILES:Cc1c[nH]c2ncnc(N3CCN(C(=O)Nc4cccc(OC(=O)N(C)C)c4)[C@@H](C)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363160", "category": ["biolink:ChemicalEntity"], "name": "PHA-680632", "xref": ["InChIKey:OBWNXGOQPLDDPS-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDEXUOWTGYUVGA-LJQANCHMSA-N", "SMILES:Cn1cc(-c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c3c2C=NNC4=O)cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5202859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIBQDIDFPAQGOU-SFHVURJKSA-N", "SMILES:CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3C(N)=O)C2=O)COc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLCYOXEAFXEGB-UHFFFAOYSA-N", "SMILES:N#CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTAJCOXVSKAQF-UHFFFAOYSA-N", "SMILES:Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPWMQRABBPYMQE-QFIPXVFZSA-N", "SMILES:C[C@@]1(c2cccc(Nc3ccccc3)c2Cl)CC(=O)N(C2CCOCC2)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMWXTFXZNJCTMY-DEOSSOPVSA-N", "SMILES:C[C@@]1(c2cccc(Nc3ccc(C4CC4)nc3)c2Cl)CC(=O)N(C2CCOCC2)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQARCCHBBGTDO-LCAJTWGOSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(Nc4ccc(C5CC5)nc4)c3Cl)CC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZADINCVKIRSK-NPALWHDTSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(Nc4cnc(C5CC5)nc4)c3Cl)CC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTGKSSWCQBJHD-QHCPKHFHSA-N", "SMILES:C[C@@]1(c2cccc(NC(=O)c3ccccc3)c2Cl)CC(=O)N(C2CCOCC2)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWSRDDSRQUJMAJ-LCAJTWGOSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(NC(=O)c4cccc(C#N)c4)c3Cl)CC2=O)CCO1"]}
{"name": "Plasmepsin IX", "xref": ["CHEMBL.TARGET:CHEMBL5169236"], "id": "UniProtKB:Q8ILG2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYPPVCQHGJUBC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3cccnc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBCIEAZGJGQSMW-CYBMUJFWSA-N", "SMILES:CN1CC[C@@H](Oc2ccc(Cl)c(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQSSCHGAVXKWEO-LLVKDONJSA-N", "SMILES:CN1CC[C@@H](Oc2ccc(Cl)c(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXIYHNFNCGXLAU-LLVKDONJSA-N", "SMILES:CN1CC[C@@H](Oc2ccc(F)c(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBQGMLKSFKIZCL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc2c(o1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHKYOOXSZSUBY-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc2c(o1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNADZOBJRIJMMY-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTVJTHJMSXSOF-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccccc3Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCRMOPHTXUQPI-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccccc3C(F)(F)F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NURDOUVZPRUCAA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccccc3[N+](=O)[O-])nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNGKHBBAJGPLK-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRUDAMGJHGTLQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDBHOFNPFSGTHC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3cccc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJNSWLKJIBGDS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3cccc(Cl)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIHGOAUKKNRSX-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3cccc([N+](=O)[O-])c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTUMCJQRWSZEK-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cccc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWWXJAYIOMXCS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3cccc(OCCN4CCOCC4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUIVTNYASTRKE-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2cccc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNKCYNLMFSTBN-OAHLLOKOSA-N", "SMILES:CN1CC[C@@H](Oc2cccc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNKCYNLMFSTBN-HNNXBMFYSA-N", "SMILES:CN1CC[C@H](Oc2cccc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVLPJPRKCMYJJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJDFEYQOPCCPM-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccc(F)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSIVCDGLAAOUAM-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccc(Cl)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTHATHBCAKAOT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGMGZPWPSRGQK-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccc(C(F)(F)F)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZOWZDLVIQFCE-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3cccc(F)c3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXQRTXQIQZBIL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBDURMVZGGTLJZ-GFCCVEGCSA-N", "SMILES:CN1CC[C@@H](Oc2cccc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUQIPORIBBAPU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccc(F)cc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVZCZFKYRSPMK-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDDFGYBGHTCLL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3c(F)cccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYRLGCLXQYXDH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccc(F)cc3Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNLZWNIAWAHAQ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccc(Cl)cc3Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFGUWGSCGQDGDD-CYBMUJFWSA-N", "SMILES:CN1CC[C@@H](Oc2ccc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIBJFIDFKAFGNP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3cc(Cl)ccc3Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFZDDJJIRNPDBQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALIZAPIGQLRSQ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3c(Cl)cccc3Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURZXFQAWRDWRP-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1-c1nc2c(o1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCREPMZKCXQTO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMZOAYWNFCDQJ-CYBMUJFWSA-N", "SMILES:CN1CC[C@@H](Oc2ccc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMMKBWDECTUSIH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIBCPBJXLGIMZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQRQDEDFXYGNOQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUCSWSUCXQVFKZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVDTYRLCFVKQKB-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACPJJVHISNUTA-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDUTUOXVMUBFB-CQSZACIVSA-N", "SMILES:COc1cc(O[C@@H]2CCN(C)C2)cc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPMVXJUVSNDLNH-CYBMUJFWSA-N", "SMILES:CN1CC[C@@H](Oc2ccc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVBJLPUHFLOKL-CQSZACIVSA-N", "SMILES:CN1CC[C@@H](Oc2cc(Cl)cc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRQUMBZZOHFLTD-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2cc(Cl)cc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZZBJAGHKGAZQA-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2cc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)ccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACJXLKDSGSLBH-UHFFFAOYSA-N", "SMILES:COc1c(Cl)ccc(Cl)c1-c1nc2c(o1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUWFKQXNGPFMMJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSHSYYYWJBIGDA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3c(F)ccc(F)c3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTOHKZLPKRICNR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHSOUBXHXGUPLL-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2[nH]c(-c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRXYBOGBSHDBZ-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(-c2nc3c([nH]2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIKZSONMJWSUKS-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cccc(-c2nc3c([nH]2)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWNINJNMOFYJAM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)c1nc(-c3cccc(OCCN(C)C)c3)[nH]c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMHFJWKVKIDPN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3cccc(C(F)(F)F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERUDKGKCGMYEB-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3c(F)cccc3Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOFGFGGMBOXGJ-CYBMUJFWSA-N", "SMILES:CN1CC[C@@H](Oc2cc(-c3nc4c(o3)C(=O)c3ccccc3C4=O)ccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMZLYEUYRGMXRX-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWSJEJNUEKEJIE-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3c(F)ccc(F)c3Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXANKCGDSVKBV-HXUWFJFHSA-N", "SMILES:C#CCCC1(CCN2CC[C@@H](Oc3cccc(-c4nc5c(o4)C(=O)c4ccccc4C5=O)c3)C2)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJLQLWIKDCFNOO-HXUWFJFHSA-N", "SMILES:C#CCCC1(CCN2CC[C@@H](Oc3cccc(-c4nc5c([nH]4)C(=O)c4ccccc4C5=O)c3)C2)N=N1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 36", "xref": ["CHEMBL.TARGET:CHEMBL4630861"], "id": "UniProtKB:Q9P275", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMYQQADDUUDCCA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2oc(-c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKDBRMSTLWBZNH-UHFFFAOYSA-N", "SMILES:O=C(CC1CCN(c2ccc(C(=O)O)cc2)CC1)NC12CC3CC(F)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVVQOZPJEHXDMH-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(NC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPYJBHGRSATKF-UHFFFAOYSA-N", "SMILES:CC12CC3CC(NC(=O)NC4CCN(C(=O)C5CCOCC5)CC4)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQKQYYXJYKFIRK-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(NC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHWAEYJHJCBCRR-UHFFFAOYSA-N", "SMILES:CC12CC3CC(NC(=O)NC4CCN(C(=O)C5CC5)CC4)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKHBHIGPXHUDH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)NC23CC4CC(Cl)(CC(C2)c2ccccc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEJRWVMRCLIOX-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(NC(=O)NC23CC4CC(Cl)(CC(C2)c2ccccc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZXSDMYEPKMPLZ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)C2CCOCC2)CC1)NC12CC3CC(Cl)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXLDQFDGMGLBD-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(NC(=O)NC23CC4CC(Cl)(CC(C2)c2ccccc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COGLLXLBHYGLCB-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)C2CC2)CC1)NC12CC3CC(Cl)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRCVVXGTSHEFM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)C(F)(F)F)CC1)NC12CC3CC(Cl)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHFWYHDLWCPIQQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)C2(F)CC2)CC1)NC12CC3CC(Cl)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDJULYMXYLTJX-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)NC23CC4CC(F)(CC(C2)c2ccccc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWYWWKULOGYMU-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)C2CCOCC2)CC1)NC12CC3CC(F)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFYTHLRVDDRAT-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)C2CC2)CC1)NC12CC3CC(F)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNAGCXNQPBEVOZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)NC23CC4CC(O)(CC(C2)c2ccccc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZXSEMJVRVIAB-UHFFFAOYSA-N", "SMILES:COC12CC3CC(NC(=O)NC4CCN(C(C)=O)CC4)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFEQITVWRPLSPF-VAAKKRCDSA-N", "SMILES:[2H]C12CC3CC(NC(=O)NC4CCN(C(=O)C5CCOCC5)CC4)(CC(C1)c1ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBCPLDCWAUBOEX-UHFFFAOYSA-N", "SMILES:C#CCCC1(CCC(=O)N2CCC(NC(=O)NC34CC5CC(Cl)(CC(C3)c3ccccc35)C4)CC2)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUZLGCVFNSELGL-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c(F)cccc2Cl)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BATAOFZEDHPRTM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2c(=O)c3ccccc3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSZVEOFLABNFB-UHFFFAOYSA-N", "SMILES:CC1CC(=O)c2cc(Br)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOANRQDXNNXOLW-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(O)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5185745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUADXEJBHCKVBN-UHFFFAOYSA-N", "SMILES:Nc1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL553944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUIMBZIZZFSQEE-UHFFFAOYSA-N", "SMILES:CC(=O)c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5178125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVBXKTXLJTDRI-UHFFFAOYSA-N", "SMILES:Brc1ccccc1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1320567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCCVGZLBZVNLV-UHFFFAOYSA-N", "SMILES:CC1CC(=O)NN=C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHUNORYEVIGHF-ZRDIBKRKSA-N", "SMILES:CCC(/C=C1\\CCn2c1nc(=O)c1c(Cl)cccc12)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQQMGQIBANBVES-ACCUITESSA-N", "SMILES:CCC(/C=C1\\CCn2c1nc(=O)c1ccccc12)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRNRPLFSBRYMGJ-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c(F)cccc2Cl)Nc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBQDJLEOQRRNZ-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)Nc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDOSALGMKWHBOU-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2F)Nc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXLHCJHVONYIBN-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2Cl)Nc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDFFMEAQARQRHC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1NC(=O)c2c(Cl)cccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBDBCXGMLSMARG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2NC(=O)c3c(Cl)cccc3N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOJLXLQBFZYPGY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2NC(=O)c3c(Cl)cccc3N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOAHWBYHCGADZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NC(=O)c3c(Cl)cccc3N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3594130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXRIGFWUUMZHO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1NC(=O)c2ccccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZDEYSWTGQBOV-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cccc(C(F)(F)F)c2)Nc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXAKPOHVSEBCL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLIXVTFPFCEKOT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIMCDERYWHODGC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C2NC(=O)c3c(Cl)cccc3N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSIKXIGGISTLO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQRNXAWCBAQDHZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2NC(=O)c3c(Cl)cccc3N2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKLYBCNMVQMCRF-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1C1NC(=O)c2c(Cl)cccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUSWAZZSVWPQLH-QGMBQPNBSA-N", "SMILES:NC(=O)c1ccccc1/N=C/c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKDHMQXHUHKDOU-FBCYGCLPSA-N", "SMILES:NC(=O)c1c(Cl)cccc1/N=C/c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNWYBCIUTUUBEJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc3cccc(Cl)c3c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXLAOCDPGHPKEH-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc3cccc(Cl)c3c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCIOAQQYLFMFI-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C(=O)NC(c1ccccc1C)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFFYBFPJTFEUAE-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2NC(=O)c3c(F)cccc3N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNYPUZRUBKOAA-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2NC(=O)c3c(C)cccc3N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXWIXTCIXZCREB-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2NC(=O)c3c(Br)cccc3N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBEIESRUJRZGEU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1NC(=O)c2c(Br)cccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGULOBUFVMMEN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2c(=O)c3c(Cl)cccc3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOZTZKZWKBPPMA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(Cl)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUPMYPDARLGBOB-CMDGGOBGSA-N", "SMILES:CN(C)/C=C1\\CCn2c1nc(=O)c1c(Cl)cccc12"]}
{"name": "Bromodomain and WD repeat-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3351192"], "id": "UniProtKB:Q9NSI6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PH-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL2176773"], "id": "UniProtKB:Q8WWQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDDDSHYKJNGLJR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYAMRCBIAVXBKX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXQRZAOAWULBR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVHYBVGOVCNNMW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cnc3ccccc3n2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNAAMLGAFDUNQV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccc3ccccc3c2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUNENWEELWCCB-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BATUDIXWIVLCDO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLAYPRKFYIIDGO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIGCLVQHJVMPLU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNZLZGNQMHRSII-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBIYYEUAOMGNDZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBGJSJDROREJU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKKFQIZRIXXCKF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCPPHSPLZDLHN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRCYDVZOQZPAFA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNFOVQDPAYDMRU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSYNZDTPFDLMD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cccc3ccccc23)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMSMCKQSUZIPQE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cnccn2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPBVHDWBCFNHZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZIJGIYOBAUGS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSKMKYBCDHPZNT-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXWKXQZRHWNGBE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIZDMSCORNMTE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccc(CN2CCN(C)CC2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYGTFJXWYSZTG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBXLPYGUADJDCF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZCUSBLUOIJEHQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOZIMGXFJMOFN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNWJEBMWYYLSM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(Cc2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGOBYKILBWTIHP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEYARZAXMEPIK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQWIBUELWVJQD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFSENZPSNGYLC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XALVTIYGKVJOPP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOZRYWHCMOUHT-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZRYGPBGVHVDX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMDDBQWPEKRAJB-WUXMJOGZSA-N", "SMILES:C/C=C/C(=O)Oc1c(OC)cc(C(=O)N2C=C(C(=O)OCC)C(c3ccccc3)C(C(=O)OCC)=C2)cc1OC"]}
{"name": "NAD-dependent protein deacetylase sirtuin-3", "xref": ["CHEMBL.TARGET:CHEMBL5169177"], "id": "UniProtKB:Q8R104", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJAWCLYVQLEZJN-AXHNFQJDSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)NN(C[C@@H]3CCNC3=O)C(=O)[C@H](F)Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMUHUYPUWGKJR-IWEFOYFVSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMUHUYPUWGKJR-ULFGMLNVSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@@H](F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMUHUYPUWGKJR-PUECVXPYSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)[C@H](F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJAWCLYVQLEZJN-AZOIQLNYSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)NN(C[C@H]3CCNC3=O)C(=O)[C@H](F)Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMUHUYPUWGKJR-PZPSRYQVSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)[C@@H](F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHTIOEZRKRNJIB-KSSFIOAISA-N", "SMILES:CC(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(F)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPNANOBQKNIDB-XERREHJYSA-N", "SMILES:C#CCOc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)NN(C[C@@H]3CCNC3=O)C(=O)[C@H](F)Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXSBHQMBIJZCD-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNDSRVYUVOVZSS-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUPDSQQYKDYAGG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1CCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEBWXYAKSUHXRJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1CCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZOQSONUCUVTNE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIJXPAQBXCMOQM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKTNRYFLMYWXLM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVAITNWGSDKNM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEFWOFCETUSMFZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1coc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYMDWISISCNQW-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRILYKUMENWWJU-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJXJSJQGXMKHH-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBAAHHAGMWJRRK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYKZHHAAMTVKK-UHFFFAOYSA-N", "SMILES:Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4ccc(CN)cc4)c3C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCQGKXGOOUPLT-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(Cn2ccccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYULPDCERPNQTD-UHFFFAOYSA-N", "SMILES:NCc1ccc(CNC(=O)c2cnn(Cc3csc(-c4ccccc4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJLQUVYLPKVEH-UHFFFAOYSA-N", "SMILES:Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(CN)cc4)cn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUFBWXBYBJEPK-UHFFFAOYSA-N", "SMILES:NCc1ccc(CNC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTLECFLQCXJHV-UHFFFAOYSA-N", "SMILES:Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)cn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZVKHRPLCZJAME-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRBKVOPXVZLIFE-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJUUELMJGFYSL-UHFFFAOYSA-N", "SMILES:O=C(NCc1c(F)cccc1F)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFSHRVHJLSVHCM-UHFFFAOYSA-N", "SMILES:O=C(NCc1c(F)cccc1Cl)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQPLNSENSHCDV-UHFFFAOYSA-N", "SMILES:O=C(NCc1c(F)cccc1C(F)(F)F)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHCXPPYSSYMDE-UHFFFAOYSA-N", "SMILES:O=C(NCc1c(Cl)cccc1Cl)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUQIQAIANBTCPD-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMNRQAZXUPNFIU-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(CNC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIYDGHWVVUCTNS-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQBUDXWZPVMPO-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2CN(C)C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLCDWARNPOODOL-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(OC)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMUPFLKDHHROJU-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N(C)C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLOZDGNLCLQAJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C2CC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFAWWGDJBCGIDJ-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVACIVBKATZGQV-UHFFFAOYSA-N", "SMILES:CCc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2COC)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VINCIPMQXBXBTO-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(OC(C)C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJVITEJNDAKYPL-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(Cl)ccc(OC)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXOTFDBWDBJRN-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(C#N)ccc(OC)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTZDNHYVJSOOU-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWSRBFJMHHDCE-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOCSKLGONWNPHT-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNMCPFLYVYHGI-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJJZIGZXRDDHP-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cnccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULAOQOFMZICMAA-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccnc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFHJYIVYYFDCA-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ccc(C)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQPAMQKPZNORS-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCADOIWPLIAFRR-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLNDLGFFZSXDD-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIRRSDWJJGTSDW-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(C)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKTSEYYIYFHXQV-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOFRUOYORMGKX-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1sccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSCQCAZZHSOOR-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nc(OC)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVHOERMFFOQEE-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBWYBIVLDSOSM-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOVVYIYYDQZJE-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(Cl)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFELVQQHZHAYGB-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nc(C)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KORWPMHMESLCMI-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKXIESKLZBKHM-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUIQZUSRWDPBSM-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSHUXJONDGHEDC-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)c(C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIPLMKRGZCNHM-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(C)c(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQVECXMJHKKDM-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095248", "category": ["biolink:ChemicalEntity"], "name": "SEBETRALSTAT", "xref": ["InChIKey:KGMPDQIYDKKXRD-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F"], "synonym": ["Sebetralstat", "Sebetralstat", "KVD-900", "KVD900", "Sebetralstat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNKYDAPTBPTMQ-UHFFFAOYSA-N", "SMILES:CCOc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2COC)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMVIHQOCPCVOO-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC(C)C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDZSJQRHYIUDG-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSVFYGAPZUHAM-UHFFFAOYSA-N", "SMILES:COc1ccnc(CNC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTBXDIJVDKJRR-UHFFFAOYSA-N", "SMILES:COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPPAAYTTSVIEX-UHFFFAOYSA-N", "SMILES:COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C2CC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFWJVBLYPSQCQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(C(=N)N)cc2)c(C)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVNTVHVERKVOD-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXWVKIBFYOVNCI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODCYNNCBBPSJJK-UHFFFAOYSA-N", "SMILES:Nc1cccc2cc(CNC(=O)c3cnn(Cc4ccc(Cn5ccccc5=O)cc4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSGPDAETTYDCI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1F)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQQKGYCCKAQNES-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1Cl)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZKEFRDIMUDSF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYUVWJJVGWNZFH-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GINLXBCPSORJBF-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(Cl)c1)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUCQISWVZGBDKX-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMRBTDLVLXQZEH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBQQTPZFBFYTEQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYWNMRPOYLXAAW-XHDKGZGWSA-N", "SMILES:C[C@@H]1O[C@H](NC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOYEGAGEDKPEN-NEPJANSGSA-N", "SMILES:C[C@@H]1O[C@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQUOLDSQCHBDN-OOQSSMQOSA-N", "SMILES:Cc1ccc(C(=O)N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWVJHPFSZOVESD-UTOPMDEDSA-N", "SMILES:COc1ccc(C(=O)N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWGUOCXWIROKHI-XNRPTCFGSA-N", "SMILES:C[C@@H]1O[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYKORCFDSFAMND-XNRPTCFGSA-N", "SMILES:C[C@@H]1O[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJXGNAMMHTUCI-XNRPTCFGSA-N", "SMILES:C[C@@H]1O[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWUZWMURWRZQX-OOQSSMQOSA-N", "SMILES:Cc1cccc(C(=O)N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRIUGARMXQWFO-QFFBLRJASA-N", "SMILES:C[C@@H]1O[C@H](NC(=O)c2cccc(-c3ccccc3)c2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLBXFHFFDLYHD-JVEFNUALSA-N", "SMILES:CC(=O)N[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWGUEJFVRGUTSD-PLAGJLMLSA-N", "SMILES:CC(C)C(=O)N[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKPBKDIGSQFSD-MSLKPCOTSA-N", "SMILES:C[C@@H]1O[C@H](NC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBZQPHHSGKVETC-UCLIPSOQSA-N", "SMILES:C[C@@H]1O[C@H](NC(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRIGWRRZMMGYFM-NEPJANSGSA-N", "SMILES:C[C@@H]1O[C@H](NC(=O)c2ccco2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYWNMRPOYLXAAW-HTUCIKCGSA-N", "SMILES:C[C@@H]1O[C@@H](NC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEMLXCHILHHQI-VSYPEIIYSA-N", "SMILES:C[C@@H]1O[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLRKPRHEQEDHE-VEFXURFASA-N", "SMILES:C[C@@H]1O[C@@H](NS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXOFZLBJKHLLEW-BTXBGFNFSA-N", "SMILES:Cc1ccc(NC(=S)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLABTDQLXPZYFL-CWTILBNLSA-N", "SMILES:COc1ccc(NC(=S)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYDPOAAZBDTSQ-INBRJWNWSA-N", "SMILES:C[C@@H]1O[C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIESQGPBNFLXMN-JZLHEVAFSA-N", "SMILES:CCc1ccc(NC(=S)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZNVHROJPYJAM-INBRJWNWSA-N", "SMILES:C[C@@H]1O[C@H](CNC(=S)Nc2ccc(F)cc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZGCJCMOBCMKK-KGJVWPDLSA-N", "SMILES:C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4574479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFGYFWBFFHPCDP-OZNCUSTMSA-N", "SMILES:Cc1cc(S(=O)(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRIRYERYALMTGC-CNYIRLTGSA-N", "SMILES:C[C@@H]1O[C@H](CNS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYTUPPARVNPRZ-JLDUMIBSSA-N", "SMILES:CO[C@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWBBVXNZYXXDX-BNDIWNMDSA-N", "SMILES:CO[C@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUQLARNZLTQBV-UHFFFAOYSA-N", "SMILES:Cc1c(OCC(F)(F)F)ccnc1CSc1nc2ccc(O)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQBNTYNRDNARK-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3678128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMSSJHJPGMEJW-UNMCSNQZSA-N", "SMILES:Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRPJSHKMZHWJBE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDWYUAHXLFZWBU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFEBALYYDASKIV-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHACFSFXKCYBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFZZOFWNFNPCTR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKMDRKRDEJNITB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKPYIJHVCRZNMX-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWUUVVUXKTOAW-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRUISWZUWQWLJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEJOGKKTNUSDE-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRQPGICIGLQHJP-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNLDXSACNANEG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nc(-c3ccccc3)cn2c1)c1cc([N+](=O)[O-])ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSIQFITHSRNIR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZYUDWPQWJPCQ-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)oc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKBNZFZFOSTFD-UHFFFAOYSA-N", "SMILES:CCc1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXPHKLYYLDGHDG-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4cc(C(F)(F)F)ccc4Cl)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMOMHQUHNNXHP-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4cc(C#N)ccc4Cl)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2447934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDLRFRHDGPXCC-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMCWSZIRUWEBS-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])s4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSFQSJTWNYRSZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4F)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJSIVXYQIGFUCG-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBYPRHRZISAFEZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4I)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTPIFZMGCWPML-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2oc(-c3ccc(CC)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWXFYWHSDHOWQC-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4Cl)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWWQNVTTSHHGH-UHFFFAOYSA-N", "SMILES:Brc1cnc2nn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWHRIJYPBNUZLZ-UHFFFAOYSA-N", "SMILES:OCc1c(Cl)nc2sccn12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5183219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHXNMLFJZTSAS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)cnc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGJDDWOXVGDTSP-UHFFFAOYSA-N", "SMILES:Clc1ncnc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVAAOZUPLEYBH-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3187395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZBQVZFITSVHAW-UHFFFAOYSA-N", "SMILES:Clc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GORWCQUHVRKSTN-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(Br)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFHICWNEBCMNN-UHFFFAOYSA-N", "SMILES:Nc1ccc2nn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUZQHUVRBPILAX-UHFFFAOYSA-N", "SMILES:Clc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FONNZZMIJPHSJP-UHFFFAOYSA-N", "SMILES:Brc1cnc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL247365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMKDUJVLNZANRN-UHFFFAOYSA-N", "SMILES:Brc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQKXBFYFPFAKD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1n[nH]c2cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDXXTXMVMAQRX-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(Br)ccc12)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWSPOGFRQSUCA-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(Br)ccc12)C(F)(F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWBZOQXCBOMKW-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(Br)ccc12)C(F)(F)Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSXCTRGQFUHWLE-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVEFQEQVSXFMCV-UHFFFAOYSA-N", "SMILES:Cc1ncsc1CCOc1ccc(-c2ccn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEDYEUJOPLMES-UHFFFAOYSA-N", "SMILES:Cc1ncsc1CCOc1ccc(-c2ccn[nH]2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZXAGSIBFCEYCO-UHFFFAOYSA-N", "SMILES:Cc1ncsc1CCOc1cnc(-c2ccn[nH]2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFKAUWQVHEBQR-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFYHXIMMJUORB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBNGQRXTZDHLAJ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYEWOYOKNRNSLW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNMDJLPDDZBNK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJQFEPLHURHHC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(O)cc(COc2ccc(-c3ccn[nH]3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UECNDNPLSBOMTF-GFCCVEGCSA-N", "SMILES:CS(=O)(=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UECNDNPLSBOMTF-LBPRGKRZSA-N", "SMILES:CS(=O)(=O)N1CCC[C@H](COc2ccc(-c3ccn[nH]3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYCCWOMXNFAYQP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKKCKSCFYIGCE-CYBMUJFWSA-N", "SMILES:CC(=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKKCKSCFYIGCE-ZDUSSCGKSA-N", "SMILES:CC(=O)N1CCC[C@H](COc2ccc(-c3ccn[nH]3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNQGSUOEYQIORN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSANYLYYQMSXQA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(Oc2ccc(-c3ccn[nH]3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGXFGYZGXIXTCT-CYBMUJFWSA-N", "SMILES:CC(=O)N1CCC[C@@H](Oc2ccc(-c3ccn[nH]3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGXFGYZGXIXTCT-ZDUSSCGKSA-N", "SMILES:CC(=O)N1CCC[C@H](Oc2ccc(-c3ccn[nH]3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOQDYPCTGWSRE-OKILXGFUSA-N", "SMILES:CC(=O)N[C@H]1CC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOQDYPCTGWSRE-HDJSIYSDSA-N", "SMILES:CC(=O)N[C@H]1CC[C@H](COc2ccc(-c3ccn[nH]3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNIIYJYUNDTORU-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFOWKNJWFEKCK-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWAKURISNTVLU-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVGCTSKJDQPBNN-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWODASSATVFMKC-ZDUSSCGKSA-N", "SMILES:CN(C)S(=O)(=O)N1CCC[C@H](COc2ccc(-c3ccn[nH]3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQYKIJQWCBWAP-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=S)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNQAJXVBBSGBHE-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=S)Nc1ccc2c(c1)CCN2CCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDMFLZHZJGGNT-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=S)Nc1ccc2c(c1)CCN2Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUMBIZSINIZKFR-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=S)Nc1ccc2c(c1)CCN2Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IROGSYKGEJSSQJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=S)Nc1ccc2c(c1)CCN2CCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTICWTQVCACDPY-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=N)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAMNZJYASCYSJJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=S)Nc1ccc2c(c1)CCN2Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMCOZKPSGFKLHX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPKIQACLHOSWIL-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQSITHVQNDMCJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCc3cc(NC(=S)NCc4ccccc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYOCVTIDJWHZRE-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCc3cc(NC(=S)Nc4ccccc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUZAEKCDHRNCBE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=S)Nc2ccc3c(c2)CCN3Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRKZXRSIVTSOS-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=S)Nc1ccc2c(c1)CCN2Cc1ccc(N=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSUNZGRBBQCVRF-UHFFFAOYSA-N", "SMILES:COCOc1ccc(CN2CCc3cc(NC(=S)NCC(C)(C)C)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNUPRIIDHQKCY-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=S)Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKNXNMGZTRFZKP-UHFFFAOYSA-M", "SMILES:[Cl-].c1ccc(CCCn2c3ccccc3c3ccn4c[n+](-c5ccccc5)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQNVRTBVXIVBOS-UHFFFAOYSA-M", "SMILES:FC(F)(F)c1ccc(-[n+]2cc3c4c(ccn3c2)c2ccccc2n4Cc2ccccc2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODXZMRHRHFICH-UHFFFAOYSA-M", "SMILES:Fc1c(F)c(F)c(Cn2c3ccccc3c3ccn4c[n+](-c5ccc(C(F)(F)F)cc5)cc4c32)c(F)c1F.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJKGXXCPRAHCI-UHFFFAOYSA-M", "SMILES:FC(F)(F)c1ccc(-[n+]2cc3c4c(ccn3c2)c2ccccc2n4CCCc2ccccc2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWXXLOAICDPWRD-UHFFFAOYSA-M", "SMILES:CN(C)c1ccc(-[n+]2cc3c4c(ccn3c2)c2ccccc2n4C)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITIPCTOLDIFSPS-UHFFFAOYSA-M", "SMILES:Clc1ccc(-[n+]2cc3c4c(ccn3c2)c2ccccc2n4CCCc2ccccc2)c(Cl)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKHNYRVOLIVRDY-UHFFFAOYSA-M", "SMILES:COc1ccc(-[n+]2cc3c4c(ccn3c2)c2ccccc2n4CCCc2ccccc2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKRWZCLZXURNH-UHFFFAOYSA-N", "SMILES:Cc1cc2occ(CO)c2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADUCVDLTRLLQG-UHFFFAOYSA-N", "SMILES:COc1cc2c(CO)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGZMFNYNROAAA-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPLDAVCTCFBIG-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN(C)C)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWABPLQHKYQYRF-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1coc2cc(C)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWBMXGKEPIGTQ-UHFFFAOYSA-N", "SMILES:CCCN(CCC)Cc1coc2cc(C)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVWSMQNIMCYFV-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)Cc1coc2cc(C)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJUVJRRDOLQNQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN3CCCC3)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTCUNSRPKLIBNP-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN3CCOCC3)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKFZOADLONYBRE-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN3CCN(C)CC3)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BERMQIDHCQYDAV-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2coc3cc(C)c(OC)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHDWBDSIYFEJLC-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN3CCN(c4cnccn4)CC3)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMIWNODZNYGNPT-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN3CCN(C(C)=O)CC3)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHHFAQRGRXBAO-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN3CCNCC3)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SADMXYKFKHHHJB-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN3CCCN(C)CC3)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMEZCPNDWFZXOI-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN3CCN(Cc4coc5cc(C)c(OC)cc45)CC3)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPJEEFUSXMHGS-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN3CCCN(Cc4coc5cc(C)c(OC)cc45)CC3)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGAAQLGWYOOQLQ-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(CN3CCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOZSEDRQNGIJNB-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(CN3CCN(C)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHZUBSTSFBIMJ-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(CN3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLTKVXCQFQAZMS-UHFFFAOYSA-N", "SMILES:COc1cc2c(C=O)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQJWPSSXHDIBW-UHFFFAOYSA-N", "SMILES:COc1cc2c(CN3CCN(C(=O)OC(C)(C)C)CC3)coc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUAMEOACIFKMNA-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3ccccc3)c(CN3CCN(C)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCLARYYBGKCHN-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJMROJSTKPRDLD-JXMROGBWSA-N", "SMILES:CN(C(=O)/C=C/c1ccc(Cl)cc1)c1cccc(OCCF)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFPBRHMGNSMCT-DHZHZOJOSA-N", "SMILES:COc1cccc(N(C)C(=O)/C=C/c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJBSPWYPAEZAI-DHZHZOJOSA-N", "SMILES:CN(C(=O)/C=C/c1ccc(Cl)cc1)c1cccc(OCCCF)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URIWSSKQIYOZQG-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWCGOGOCMMKSGZ-UHFFFAOYSA-N", "SMILES:CN1CCC(Cc2nc3ccc(Nc4ncc(Cl)c(Nc5ccccc5S(=O)(=O)N(C)C)n4)cn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCAZFNIPYQQLO-UHFFFAOYSA-N", "SMILES:CN1CC2CN(C(=O)c3ccc(Nc4ncc(Cl)c(Nc5ccccc5S(=O)(=O)N(C)C)n4)cc3)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOHBLGZTCRKSSH-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(C(=O)N4CC5CN(C)CC5C4)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKUDGDJJFZQWFU-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(C(=O)N4CC5CC4CN5C)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGZLDUSPOTIBQ-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYLYHCRWRNGQH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC2CN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5-c5n[nH]c(C)n5)n4)cc3)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCKPBBFNBGVGKA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4n[nH]c(C)n4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULQARXJYIVPIBO-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(N4CCC(N(C)C)CC4)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDAVQIMXVMAON-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(N4CCn5nccc5C4)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTUCFINHNIYNB-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMDJJVHQPIRTN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2-c2n[nH]c(C)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJQXRCCZOLTHBP-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc4c(c3)CN(C)CC4)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJQXZSJBGHTRBG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4n[nH]c(C)n4)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADSBXZMGZWMAQD-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc4c(c3)C(=O)N(C3CC3)C4)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQPGAPPQJPVJL-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc4c(c3)CN(C3CC3)C4=O)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJTVPQLMBWIFKC-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(CN4CCN(C)CC4)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMFFWCXWKPFJA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(C(=O)NC4CC4)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEZJUNLLHMMEGW-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(C(=O)NC4CC4)nc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCSWLYBONRPXNG-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(C(=O)NC4CCCC4)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXPTZARAJOSGE-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(N(C)C4CCN(C)CC4)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSCHGQGAFXOWDX-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(OC4CCN(C)CC4)cc3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBDINRQPARJYDF-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(OC4CCN(C)CC4)c(F)c3)ncc2Cl)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBULNWVYGZWDG-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2Cl)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHNKCYMTHULJMY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4nc(C)n(C)n4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTZMTHGIMAXGIG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4nc(C)n(C)n4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIHOVQIGAGEJQ-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccccc2Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)ncc2Cl)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWUOPFNXXWCDM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4ncn(C)n4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCBDHMFIMQPTQC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4ncn(C(C)C)n4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOASNKWBQVQHC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4nnn(C)n4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJMAAYLPVXEEHH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4nnnn4C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMLMBQXLNEPAT-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2Nc2nc(Nc3ccc(OC4CCN(C)CC4)cc3)ncc2Cl)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTHHSMQEASWBAY-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccccc2Nc2nc(Nc3ccc(OC4CCN(C)CC4)cc3)ncc2Cl)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQEUZZVQJKJJDG-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4nnnn4C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAHJROMRBNGDOS-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4nnn(C)n4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFHVXCYTHLFJBN-UHFFFAOYSA-N", "SMILES:CN1CCC(N(C)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4ncn(C)n4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSQGRCQGILIQP-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4ncn(C)n4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPFLMEJRYUCLQM-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccccc2Nc2nc(Nc3ccc(CN4CCN(C)CC4)cc3)ncc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWHRCMCNLYHGV-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccccc2Nc2nc(Nc3ccc(N(C)C4CCN(C)CC4)cc3)ncc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBZXIWJRQLOWPC-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3ccc(N4CCN(C(=O)C5CCN(c6ccc(NC(=O)c7cnc(Oc8ccccc8)nc7)cc6)CC5)CC4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3650200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFJGCDCPYTEKF-UHFFFAOYSA-N", "SMILES:Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)N4CCOCC4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWOEWUWHFLSPN-UHFFFAOYSA-N", "SMILES:Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)N4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRNMALHFNHEWOB-UHFFFAOYSA-N", "SMILES:Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHDIKFHLMWTTE-ZPOGELFWSA-N", "SMILES:COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)CC[C@@H](O)C(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5197965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVJZTPHJCIMWTR-JYOAFUTRSA-N", "SMILES:COC/C(C=O)=C\\CCC1=CC(c2cc(O)ccc2O)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5200956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZBWVDBROYJOW-LICLKQGHSA-N", "SMILES:CCOC1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CCC=C(C)C)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5180809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPZURWPKEZGETF-NZVBXONLSA-N", "SMILES:O=C1C[C@]23CC[C@H](O)[C@]2(COC3=O)c2c(O)ccc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5204848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHCXKAIPOIWJR-LWJBKALKSA-N", "SMILES:COC1(c2cc(O)ccc2O)C=C(CC[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)O3)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5191384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKMFUNZEYOXNH-UHSBDWNESA-N", "SMILES:C/C(=C/CC/C(C)=C/CC[C@]1(C(=O)O)CC(=O)c2cc(O)ccc2O1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZUHLHZZSDZKQ-KHOBFWCSSA-N", "SMILES:C/C(=C\\CC/C(C)=C/CCCC1(O)Oc2ccc(O)cc2C1=O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5179776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMYUEIQQGJWFO-GPHFOOKYSA-N", "SMILES:C/C(=C/CC/C(C)=C/CC/C(=C/C(=O)c1cc(O)ccc1O)C(=O)O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5177548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFPPFNPDFTJSI-AFJBDXARSA-N", "SMILES:C/C(=C\\CC/C(C)=C/C/C=C(/CC(=O)c1cc(O)ccc1O)C(=O)O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5197207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLYASGIHCSKRD-GWAWULANSA-N", "SMILES:CC(C)=CCC/C(C)=C/CCC1=C[C@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@]2(CC/C=C(\\C)CCC=C(C)C)CC(=O)c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5189985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVROITPOWNOLCH-XTQWKZIOSA-N", "SMILES:CC(C)=CCC/C(C)=C/CCC1=C[C@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@@]2(CCC=C(C)C)CC(=O)c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5202074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNJDEOIGYUNBO-XTQWKZIOSA-N", "SMILES:CC(C)=CCCC1=C[C@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@@]2(CC/C=C(\\C)CCC=C(C)C)CC(=O)c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5173192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLYASGIHCSKRD-WOFFDLBWSA-N", "SMILES:CC(C)=CCC/C(C)=C/CCC1=C[C@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@@]2(CC/C=C(\\C)CCC=C(C)C)CC(=O)c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5208407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLYASGIHCSKRD-STSUMCCMSA-N", "SMILES:CC(C)=CCC/C(C)=C/CCC1=C[C@@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@]2(CC/C=C(\\C)CCC=C(C)C)CC(=O)c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5173849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJOMZNSCFYRJG-AOQGIACQSA-N", "SMILES:CO[C@H]1OC(=O)[C@@]2(CC(=O)c3cc(O)ccc3O)C[C@@H]3[C@@H](C/C=C(\\CC(=O)c4cc(O)ccc4O)C(=O)O)C(C=O)=CO[C@@H]3[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZVNIDAQSYTQT-VHHDTZGQSA-N", "SMILES:CO[C@H]1OC(=O)[C@@]2(CC(=O)c3cc(O)ccc3O)C[C@@H]3[C@@H](CCC4=C[C@@H](c5cc(O)ccc5O)OC4=O)C(C=O)=CO[C@@H]3[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZVNIDAQSYTQT-YLGUEYSWSA-N", "SMILES:CO[C@H]1OC(=O)[C@@]2(CC(=O)c3cc(O)ccc3O)C[C@@H]3[C@@H](CCC4=C[C@H](c5cc(O)ccc5O)OC4=O)C(C=O)=CO[C@@H]3[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJOMZNSCFYRJG-TTXSWUFKSA-N", "SMILES:CO[C@@H]1OC(=O)[C@]2(CC(=O)c3cc(O)ccc3O)C[C@H]3[C@H](C/C=C(\\CC(=O)c4cc(O)ccc4O)C(=O)O)C(C=O)=CO[C@H]3[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIERVQFIXYRVKY-YMQFFYSRSA-N", "SMILES:C[C@@H]1Cc2c3c(c(Cl)c(O)c2C(=O)O1)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)C(=O)C(Cl)(Cl)C[C@]2(C)[C@@H]1C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5207225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSYDWPHSVDPCZ-RIFOTZJASA-N", "SMILES:CC(=O)O[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)C=C[C@]2(C)[C@@H]1C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5183150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKDELKJNZLSFY-WQVXKCIISA-N", "SMILES:CO[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]1C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5194590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUCIXBSTGWHAFD-KGWQHKOWSA-N", "SMILES:C=C1[C@@]23C(=O)O[C@H](C)[C@@]2(O)C(=O)O[C@]1(C)[C@@H](O)C1=C2CO[C@H]4CC(=O)OC(C)(C)[C@@]24CC[C@@]13C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5184817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEFHLQEFDWSRN-LTUMHGGBSA-N", "SMILES:C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)C[C@@]2(C)[C@@]2(C(=O)OC)C(=O)[C@](C)(O)C(=O)[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4217364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSZATFSVLYIRU-UHFFFAOYSA-N", "SMILES:CCCc1nn(C)c2c(=O)[nH]c(-c3cc(CC4CC(C(=O)NO)C4)ccc3OCC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUKGCTNFPZAWGC-UHFFFAOYSA-N", "SMILES:CCCc1nn(C)c2c(=O)[nH]c(-c3cc(Cc4ccc(C(=O)Nc5ccccc5N)cc4)ccc3OCC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWLURVWZRQXQEM-LIRRHRJNSA-N", "SMILES:C[C@H]1CN(Cc2ccc(C(=O)NO)cc2)C[C@@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIDRENRJOMKEQ-XSKGNTKESA-N", "SMILES:C[C@H]1CN(Cc2ccc(/C=C/C(=O)NO)cc2)C[C@@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INDDKWKJTWMRQK-SFHVURJKSA-N", "SMILES:C[C@@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Cc2ccc(C(=O)Nc3ccccc3N)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQQARPCGCBPUTK-DHZHZOJOSA-N", "SMILES:O=C(CCCCNC(=S)Nc1ccc(/C=C/C(=O)c2cccnc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487253", "category": ["biolink:ChemicalEntity"], "name": "BENDAMUSTINE", "xref": ["InChIKey:YTKUWDBFDASYHO-UHFFFAOYSA-N", "SMILES:Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21"], "synonym": ["Bendamustine", "Bendamustine", "Bendamustina", "Bendamustine", "Bendamustine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5178922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOSUULXFKWELRP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCN1CC(c2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2)N=N1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTCKGIEOKUCSQ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)cc(-c3nc(Nc4ccc(CNC(=O)CCCCCCC(=O)NO)cc4)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZDHPMIXKKYTJG-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1cn(-c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXCKSONTDMMTH-ZVHZXABRSA-N", "SMILES:O=C(NO)c1ccc(/C=N/NC(=O)c2cc(N3CCOCC3)nc(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABKYAMSVHWBFGO-DHRITJCHSA-N", "SMILES:O=C(NO)c1ccc(/C=N/NC(=O)c2cc(N3CCOCC3)nc(-c3cccc4[nH]ncc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPSZINYTUEUMR-UGKGYDQZSA-N", "SMILES:CC(=O)SCCCCCCOc1ccc2c(c1)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKWJRRUQTLTSJR-NFBKMPQASA-N", "SMILES:CC(=O)SCCCCCCCOc1ccc2c(c1)N(C)[C@H](C(C)C)C(=O)N[C@@H](CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSOIKNMFKWXSR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)c1cccc2cc3ccccc3nc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMQRIGIYJRFAKV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCOc1ccc(-c2nc3ccccc3c3cc(-c4ccccc4)nn23)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXPKXZJAUAFUFI-OIRWKNFCSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)CC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZISCYMEUSGBU-HEEDHUMYSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRAVLPXLPCQONL-LSLKUGRBSA-N", "SMILES:C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCC4CN(CC(=O)NO)N=N4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZVXZMNIAKNHY-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2cn(CCCCCCC(=O)NO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWQXSCZLUBYBG-PUMKAZRDSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C(C)/C=C/C(=O)NO)C[C@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLEDBIQBAUIWNJ-UHFFFAOYSA-N", "SMILES:CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFUIUDLVMJYGT-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(Nc3ncc(C(=O)Nc4ccccc4N)s3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOYDGOBFRZQHEU-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(Nc3ncc(C(=O)Nc4ccc(F)cc4N)s3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSJAPRQBZTRFP-UHFFFAOYSA-N", "SMILES:O=C(CCn1cc(CCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRZUCVYASYLSC-GDQHPZEDSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)NCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIQKCDDNRAGIIC-SFHVURJKSA-N", "SMILES:COc1ccc(CC(=O)N[C@@H](CCC(=O)O)C(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWLTUKVQKRCAJD-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVQBQDPVQFHRY-SFHVURJKSA-N", "SMILES:COc1ccc(CNC(=O)[C@H](CCC(=O)O)NC(=O)Cc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJOSZATCBCBDR-DFKUFRTHSA-N", "SMILES:NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O"]}
{"name": "D(1A) dopamine receptor", "xref": ["CHEMBL.TARGET:CHEMBL5067"], "id": "UniProtKB:P50130", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL141743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTBOOSJKGKNIKI-UHFFFAOYSA-N", "SMILES:COC1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL138809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZAEVQHACUOGI-UHFFFAOYSA-N", "SMILES:COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQVOKKPXXIWBKQ-UHFFFAOYSA-N", "SMILES:N#CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL71838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDLSEQDYARNKTL-QHCPKHFHSA-N", "SMILES:CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(OC)cc2)CC1"], "synonym": ["PNU-109291"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIIFAVQFMLODBU-UHFFFAOYSA-N", "SMILES:CC1=Cc2c(C=O)c(O)c(Cc3c(O)c(C=O)c4c(c3O)COC(C)=C4)c(O)c2CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBOWPFBUKZUNIU-UHFFFAOYSA-N", "SMILES:COC1(C)Cc2c(C=O)c(O)c(Cc3c(O)c(C=O)c4c(c3O)COC(C)(OC)C4)c(O)c2CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZLHWBUPGEQTG-UHFFFAOYSA-N", "SMILES:COC1(C)Cc2c(C=O)c(O)c(Cc3c(O)c(C=O)c4c(c3O)COC(C)=C4)c(O)c2CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJZLRIWNYWKCG-CMKUNUBPSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1cc[n+](Cc3ccc(F)cc3)cc1)OC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQJWIMJHPBXTF-GTNSWQLSSA-N", "SMILES:CCCCCCC[C@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@@H](O)O1"], "chembl_natural_product": true}
{"name": "DNA topoisomerase 2", "xref": ["CHEMBL.TARGET:CHEMBL2671"], "id": "UniProtKB:P15348", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7227"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLISQBFTMHVICF-CAPFRKAQSA-N", "SMILES:CCCNCC(O)CC/N=C1\\COCc2c1ccc(OC)c2OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGGFUBMUOVFZEF-LDRVEFRDSA-N", "SMILES:Cc1cs/c(=N\\C2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVURAZQUIBWRHZ-XPQZIERPSA-N", "SMILES:COC(=O)N[C@@H](CCSC)C(=O)Oc1ccc(NC2=NC3C(=O)c4ccccc4C(=O)C3S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHHDTZVJUSGAT-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CCC(=O)N2CCN(Cc3cccc(-c4ccc(Cl)cc4)c3)CC2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRNTXTIRONJKOT-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2cccc(Br)c2)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYLIYOOERYQTB-WJOKGBTCSA-N", "SMILES:Cc1c(-c2c(-c3ccco3)sc3ncnc(O[C@H](Cc4ccccc4OCc4ccnn4CC(F)(F)F)C(=O)O)c23)ccc(OCCN2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXLHUPGETZEDBZ-NVMPUMLXSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C\\c3cn(Cc4ccc(-c5ccccc5)cc4)c4ccccc34)c(=O)n2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJEJCBPKPWKMSC-UHFFFAOYSA-N", "SMILES:O=C(O)C1C2CC(Sc3ccccc3[N+](=O)[O-])C(Cl)C2c2cc(Cl)cc3c2N1CC1CC=CC31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4166520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIRRIJMEIKMFL-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)c(COc2ccc(B(O)O)c(C=O)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMIVVWPEKAPWSX-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)ccc1B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBAFNTUPZRZFCQ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)c(COc2ccc(B(O)O)cc2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZZYPOVNNFUHN-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)n(C)c23)c(COc2ccc(B(O)O)c(C=O)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXAYYSHEARRBLR-UHFFFAOYSA-N", "SMILES:CCc1nn(C)c(CC)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWPSRSNOGHURLY-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc4c(Sc5ccc(Br)cc5)ccc(c34)C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBFWRMJKQRAPW-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2ccccc2c1)NCCN1C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUBPQNCZGZYROB-YXYNCGDBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSCc3cccc(n3)CSC[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N2)C(C)C)CSCc2cccc(n2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXVLSHVPWINPTL-JHFUDWIZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNSLHVFMWEJNG-IIRFRQLJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMJEDBFVRXZMB-XJNYGLDSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIBXPJKSRTXHRD-YCCQXPPISA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSCc3cccc(n3)CSC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N2)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGOBPDCFDGNDDW-AJHSFQDFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSC/C=C/CSC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSC/C=C/CSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C(C)C)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXNLWACGYXHHBQ-NGXYGVMFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]2CSC/C=C/CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N2)[C@@H](C)O)[C@@H](C)O)CSC/C=C/CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYCKNHGQZINEF-MZWHPDAPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CO)CSC/C=C/CSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CSC/C=C/CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC2=O)[C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWKJZYAARXGSRZ-IXZCPJKLSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N1)[C@@H](C)O)C(=O)N[C@H]1CSCC(=O)CSC[C@H](C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHZJQPIFLFTFS-YNMFZMQDSA-N", "SMILES:CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CN)CSCC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CSCC(=O)CSC[C@@H](C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC2=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXDBMLKDZLRSP-GFXCSZQDSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)CSCC(=O)CSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CSCC(=O)CSC[C@@H](C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC2=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZZUSCYXNBGTB-UHFFFAOYSA-N", "SMILES:c1cc2nc3c(cc2cc1CCCN1CCCCC1)[nH]c1ccc(CCCN2CCCCC2)cc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFHDUKKZIHAGM-UHFFFAOYSA-N", "SMILES:OCCNc1c2ccccc2nc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHILEKSMJQXOW-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1c2ccccc2nc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUEOQJVHSJPTPO-UHFFFAOYSA-N", "SMILES:OCCCNc1c2ccccc2nc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBANEDOFRZCTHP-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCN3CCOCC3)c3[nH]c4ccccc4c3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPICVONULMNKIM-UHFFFAOYSA-N", "SMILES:CCCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSLUVRSONLNMJW-UHFFFAOYSA-N", "SMILES:O=C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C2CCCCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODZCSPDZVDCSD-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYSPBJARTFATSL-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(C5CCCCC5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUWGDCSRVBALCD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)cc1)c1nc2ccccc2n(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEIDTMNTWXSCKC-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc3ccc(NC(=O)Nc4ccccc4)cc3[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWSJYULSEMTQHO-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc3ccc(NC(=O)c4ccccc4C(=O)O)cc3[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCOGKWCGAQMDW-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDYZYOBGLCIGD-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSIMVIIYZWWTSU-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(NC(=O)c2ccc(NC(=O)Cn3c(=O)c4nncn4c4ccccc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZRIJAGEJSHIQM-BJMVGYQFSA-N", "SMILES:O=C(Cn1c(=O)c(/C=C/c2ccncc2)nc2ccccc21)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAMGZMVGONQFCP-VMPITWQZSA-N", "SMILES:O=C(Cn1c(=O)c(/C=C/c2ccncc2)nc2ccccc21)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRGLRCQOQDVMSQ-MDZDMXLPSA-N", "SMILES:O=c1[nH]c2ccccc2nc1/C=C/c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKUZPPLSIAFQNK-CMDGGOBGSA-N", "SMILES:O=c1[nH]c2ccccc2nc1/C=C/c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDWMCYHLUVDDX-MDZDMXLPSA-N", "SMILES:Cn1c(=O)c(/C=C/c2ccccn2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABBRXDCHEYVCBL-CCEZHUSRSA-N", "SMILES:O=c1c(/C=C/c2ccccc2Cl)nc2ccccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNOLFDTWCHLWKX-XBXARRHUSA-N", "SMILES:NNC(=O)/C=C1/Nc2ccc(Br)cc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPVRJVWBRXKZBB-UHFFFAOYSA-N", "SMILES:COC(=O)CCc1nc2ccc(Br)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVYDNPRDDGSIV-UHFFFAOYSA-N", "SMILES:COC(=O)CCc1nc2ccc(Cl)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYZNQCNJYPBIKM-SRZZPIQSSA-N", "SMILES:Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWKAKPLVUTIMU-BUVRLJJBSA-N", "SMILES:Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nc2ccccc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGSCZPFYZGNCLI-PCLIKHOPSA-N", "SMILES:Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1nc2ccccc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWFIJSYEOLUGL-MFKUBSTISA-N", "SMILES:Cc1nn(-c2ccccc2)c(N2CCNCC2)c1/C=N/Nc1nc2ccccc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFECJSAJCVJBKE-WGOQTCKBSA-N", "SMILES:CC(=O)N1CCN(c2c(/C=N/Nc3nc4ccccc4nc3O)c(C)nn2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVINHQDOKZMCM-PCLIKHOPSA-N", "SMILES:Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1/C=N/Nc1nc2ccccc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWNUJJQXWCKCJX-LPYMAVHISA-N", "SMILES:Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nc2ccccc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUXRCDIARSCJM-UHFFFAOYSA-N", "SMILES:CCC1C(=O)Nc2ccc(-c3c(C)noc3C)cc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDEMQSSQCBQNLU-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(Cc1ccccc1)NC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBBYNNDBSJXSO-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCOCCOCCOCCn3cc(CC4C(=O)N(C)c5ccc(-c6c(C)noc6C)cc5N4c4ccccc4)nn3)nn1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCGDPBRLICPPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINHQLFBBDHSEJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTSVNZKUVGQOHS-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(CN3CCCCC3)ccc2n2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLYVTQGSZRQZLA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYAWPCDVXKFLSF-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(=O)c(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHAHALIPDPMMT-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLPHMRCKHFBJB-QWHCGFSZSA-N", "SMILES:C[C@H]1C[C@@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(cccc3[nH]c1=O)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2204239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWOYIOLMBQSTQS-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRLHBRNPUQTHC-KGENOOAVSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(C(=O)/C=C3/Nc4ccccc4NC3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODPURYLKWZUWQX-SXSSDGSKSA-N", "SMILES:O=C(/C=C/c1ccccc1)/C=C1/Nc2ccccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBLOKNMHQGBVGY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2SCC(=O)N2c2ccc3nc(Cc4ccc(O)cc4)c(=O)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSBYVJZWQLUTE-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2ccc(N3C(=O)CSC3c3ccc([N+](=O)[O-])cc3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXLWQSFFHWRJR-RIYZIHGNSA-N", "SMILES:O=c1[nH]c2ccccc2nc1N/N=C/c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHXPFXZJNUHBB-LICLKQGHSA-N", "SMILES:COc1cccc(/C=N/Nc2nc3ccccc3[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOAUPYVFYLBKV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n2c(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXZIOLLXUZZEJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n2c(-c3ccc(O)cc3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFDKVPXBFOSSBP-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n2c(-c3ccc(Cl)c(Cl)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYBYLKJYSNGINI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJDUDCUMOMMGK-LQKURTRISA-N", "SMILES:Cc1nc2ccccc2n(CC(=O)N/N=C/c2ccc(OCCn3cc(CN4CCOCC4)nn3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSKLYKFUOLRIM-STBIYBPSSA-N", "SMILES:Cc1nc2ccccc2n(CC(=O)N/N=C/c2ccc(OCCn3cc(CN4CCCCC4)nn3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDJAKCHTFJOJRE-LQKURTRISA-N", "SMILES:Cc1nc2ccccc2n(CC(=O)N/N=C/c2ccc(OCCn3cc(CN4CCCC4)nn3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZBKZGKKICTSPN-WKULSOCRSA-N", "SMILES:Cc1ccc(-n2cc(COc3ccc(/C=N/NC(=O)Cn4c(=O)c(C)nc5ccccc54)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOBORVHHDCBXLX-ZETCQYMHSA-N", "SMILES:N[C@@H](CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXBQQXZKMXOMM-UHFFFAOYSA-N", "SMILES:O=C(Nn1c(=O)c(=O)[nH]c2cc(C#CCO)ccc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLOVXFKSVLEKEA-UHFFFAOYSA-N", "SMILES:O=C(Nn1c(=O)c(=O)[nH]c2cc(C#Cc3ccccc3)ccc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKOVZZCGOMMIB-UHFFFAOYSA-N", "SMILES:O=C(Nn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(F)cc21)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZSBXDRTJNDPDR-FNORWQNLSA-N", "SMILES:O=C(O)c1ccccc1/C=C/c1ccc2[nH]c(=O)c(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTBPBLWWNOSID-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)O)cc1-c1ccc2[nH]c(=O)c(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHASCXJSQPTGKE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIJYDEOKXVCADS-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(-c3cccc(P(=O)(O)O)c3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHAVESJYADTSX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWVYHQHGLFDEO-UHFFFAOYSA-N", "SMILES:O=C(Nn1c(=O)c(=O)[nH]c2cc(C#CCCO)ccc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBSWOCDXVMRBEZ-LURJTMIESA-N", "SMILES:N[C@@H](Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL303516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHGWDAICBXUJDU-SNVBAGLBSA-N", "SMILES:O=C1Nc2cc(Cl)c(Cl)cc2N2CCNC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2049188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYLUZYLNSDJGQ-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2049190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVULWVDEDTPQX-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBLIJNULMVZBHH-WPWMEQJKSA-N", "SMILES:C/C(=N\\NC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1729417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTIWRPLQBVEMR-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c4cccn4c4c(C)ccnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1455045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMWSWALKGNCXCX-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c4cccn4c4cccnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMMWLYIBYTWLKQ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)C4CCCN4c4c(C)ccnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1916542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXRUVICIPTZRAL-UHFFFAOYSA-N", "SMILES:COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILRMRAZASPTXGW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQECILSOQQFMKP-UHFFFAOYSA-N", "SMILES:COc1ccc2ncc(=O)n(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYJKOWWSKTWAJA-RTWAWAEBSA-N", "SMILES:N#Cc1ccc2ccc(=O)n(CCN3CC[C@H](NCc4cc5c(cn4)OCCO5)[C@H](F)C3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL300087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLISVVOJYGYVMO-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFJUJJILDYKPD-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL50664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIAKNXEOWANQC-UHFFFAOYSA-N", "SMILES:C=C(C)OC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFHAIPYYVCCNSN-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1c2cc(Cl)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQFLZVFABDPNQ-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)N1c2cc(Cl)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJJFXHBYLVVKU-UHFFFAOYSA-N", "SMILES:C=C(C)OC(=O)N1c2cc(Cl)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOXAGEOJXOMYDR-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1c2cc(F)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNZNCDSVUJHFTL-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)N1c2cc(F)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCAQXIDWUIAYQY-UHFFFAOYSA-N", "SMILES:C=C(C)OC(=O)N1c2cc(F)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLISVVOJYGYVMO-MRXNPFEDSA-N", "SMILES:CCOC(=O)N1c2ccccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGNXTIFGIVEEQ-UHFFFAOYSA-N", "SMILES:O=C1CN(S(=O)(=O)c2c(Cl)cccc2Cl)c2cc(Cl)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBHEWUBSURLSU-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1S(=O)(=O)N1c2cc(F)ccc2NC(=O)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCFZSKBUGYPEQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKSTHOPZSIIER-UHFFFAOYSA-N", "SMILES:COC(=O)c1sc(Cl)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRSZGOBGIUNPM-UHFFFAOYSA-N", "SMILES:COC(=O)c1sc(I)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDLZRNCWDUXPK-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CC(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHILTJQKWSSOCV-SNVBAGLBSA-N", "SMILES:CC(C)COC(=O)N1c2ccccc2NC(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHUZTODPZZIXFV-OAHLLOKOSA-N", "SMILES:CC(C)COC(=O)N1c2ccccc2NC(=O)[C@H]1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXRILQXCURKRN-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2ccccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJDYYGRHCAYGS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOLHVCSINJJDM-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)N1CC(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUFWNBDTQDFTG-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(CCCC2Nc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc3NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEEPDCSUWZPGPP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCCC2Nc3ccc(C(=O)N4CCN(c5ccncc5)CC4)cc3NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCUIQQQOTMTBBN-KEBDBYFISA-N", "SMILES:COc1cccc(/C=N/NC(=O)Cn2c(=O)c(C)nc3ccccc32)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHUUGPRNMGESG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(Cc2ccc(C(=N)N)cc2)nc2cc(C3(C(=O)N4CCCC4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSAPBALCKYTRRE-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(Cc2ccc(C(=N)N)cc2)nc2cc(C3(C(=O)N4CCCC4C(=O)NCC(=O)O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXSYQODCNXHQNQ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(Cc2ccc(C(=N)N)cc2)nc2cc(C3(N(C(=O)CC(=O)O)C4CCCC4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOCBYOXSDKPPM-KDURUIRLSA-N", "SMILES:C[C@@H]1CCC[C@H](C)N1CCCCCn1c(=O)c(-c2cc(C(=N)N)ccc2O)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRGWBDOBCLUSE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccc(NCc4ccc(Cl)c(C(F)(F)F)c4)cc3n(CCNC(C)=O)c2=O)cc1"]}
{"name": "Acyl-CoA desaturase 1", "xref": ["CHEMBL.TARGET:CHEMBL5424"], "id": "UniProtKB:P07308", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQHWNBHBBWOHU-UHFFFAOYSA-N", "SMILES:Nc1ccc([N+](=O)[O-])cc1-c1nc2ccccc2n(Cc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFSSTKPLMNAJTF-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYBGIDROCYPOE-WEAQAMGWSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"name": "Sentrin-specific protease 6", "xref": ["CHEMBL.TARGET:CHEMBL1741215"], "id": "UniProtKB:Q9GZR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJTJKHSWQFZEGO-ZFESHMOZSA-N", "SMILES:O=C(O)CN(NC(=O)c1ccc(CNC(=O)c2cccc(C(=O)O)c2)cc1)C(=O)[C@H]1O[C@@H]1C(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGOSLBFCVUXMO-RGULYWFUSA-N", "SMILES:O=C(O)c1cccc(C(=O)NCc2ccc(C(=O)NNC(=O)[C@H]3O[C@@H]3C(=O)C(Cc3cccc4ccccc34)Cc3cccc4ccccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUTBTFSMOGGFBI-CONSDPRKSA-N", "SMILES:CC(C)C[C@H](NC(=O)Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)COC(=O)c1c2ccccc2cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFGVQLJUXSRVEG-HVMBLDELSA-N", "SMILES:Cc1cc(-c2ccc(/N=N/c3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(C)c2)ccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)O)ccc12"]}
{"name": "Sentrin-specific protease 7", "xref": ["CHEMBL.TARGET:CHEMBL1741213"], "id": "UniProtKB:Q9BQF6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUZXVBKPTUGTE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCC(=O)Nc2nonc2NC(=O)COc2ccc(Cl)c(C)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPQBWSSTKLRKQ-NTCAYCPXSA-N", "SMILES:O=C(/C=C/C1C(=O)OC2CC(OC(=O)c3ccc(-c4ccccc4)cc3)CC21)COc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GANKRGDTCKPDCH-IBGZPJMESA-N", "SMILES:C=CC(C)(C)c1cc2cc3c(c(CC=C(C)C)c2oc1=O)O[C@H](C(C)(C)O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSGGKRYEGBNMH-MRXNPFEDSA-N", "SMILES:C=CC(C)(C)c1cc2cc(C[C@@H](O)C(C)(C)O)c(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIYFSEDSEURCQW-HOTGVXAUSA-N", "SMILES:C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@H](C(C)(C)O)[C@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSHLMLPFDNHBHO-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc2ccc(=O)oc2c(CC=C(C)C)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5182080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJEGRVOAHOTCSV-CYBMUJFWSA-N", "SMILES:CO[C@H](Cc1cc2ccc(=O)oc2cc1O)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459826", "category": ["biolink:ChemicalEntity"], "name": "PEUCEDANONE", "xref": ["InChIKey:HCVVJUMQCNQCCT-UHFFFAOYSA-N", "SMILES:CC(C)(O)C(=O)Cc1cc2ccc(=O)oc2cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5203645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFPYWYBZNZWIPO-JTQLQIEISA-N", "SMILES:CC(=O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCIKFBCHHZDDJ-NSHDSACASA-N", "SMILES:C=C(CO)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVOEEZUDJJYRJ-JTQLQIEISA-N", "SMILES:C=C(C)[C@@H]1Cc2c(cc3oc(=O)ccc3c2O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5196422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLXOGGOMAGDQS-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2cc3cc(O)c(=O)oc3cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZOSUXYWTWNLU-UHFFFAOYSA-N", "SMILES:COc1cc2cc3c(cc2oc1=O)OC(C)(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLXYBYCLCBXBFK-OLZOCXBDSA-N", "SMILES:CC1(C)Oc2cc3oc(=O)ccc3cc2[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5171038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXVPTMGJOSGPK-UHFFFAOYSA-N", "SMILES:C=CC(C)(C)c1cc2cc(CC(=O)C(C)C)c(OC)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDALDDEUJUKGR-GOSISDBHSA-N", "SMILES:C=CC(C)(C)c1cc2cc(C[C@@H](OC)C(C)(C)O)c(OC)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLLVBYIVUJGRBA-LJQANCHMSA-N", "SMILES:C=CC(C)(C)c1cc2cc(C[C@@H](OCC)C(C)(C)O)c(OC)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEPYYVMIJBDNIM-UHFFFAOYSA-N", "SMILES:C=CC(C)(C)c1cc2cc(CC=C(C)C)c(O)cc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5196120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCYTGAJOJILCW-UHFFFAOYSA-N", "SMILES:C=CC(C)(C)c1cc2cc(CC=C(C)C)c(OC)cc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5176647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXKLTOSYPHQBR-UHFFFAOYSA-N", "SMILES:C=CC(C)(C)c1cc2c(O)c(CC=C(C)C)c(OC)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCIDUFESHWRBT-UHFFFAOYSA-N", "SMILES:C=CC(C)(C)c1cc2cc(CC=O)c(OC)cc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5198713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMWGHNQNZLYMJE-CQSZACIVSA-N", "SMILES:COc1cc2oc(=O)ccc2cc1C[C@@H](O)C(C)(C)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5174139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJKLRKFULSVNGY-CQSZACIVSA-N", "SMILES:COc1cc2oc(=O)ccc2cc1C[C@@H](OC)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5208477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNMUKKBIVJARHV-UHFFFAOYSA-N", "SMILES:COc1cc2oc(=O)ccc2cc1CC(=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5171832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBMUHRAGPPVOU-UHFFFAOYSA-N", "SMILES:COc1cc2oc(CO)cc(=O)c2c(O)c1CCC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINNRRFMPMUVOS-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)cc2oc(CO)cc(=O)c2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWGMCDJJMQCPN-UHFFFAOYSA-N", "SMILES:COc1cc2oc(CO)cc(=O)c2c(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UABLDTOUVQSAPV-UHFFFAOYSA-N", "SMILES:COc1cc2oc(CO)cc(=O)c2c(OC)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGXSNKRPDTQDW-UHFFFAOYSA-N", "SMILES:COc1c2c(cc3oc(CO)cc(=O)c13)OC(C)(C)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520866", "category": ["biolink:ChemicalEntity"], "name": "ORIENTIN", "xref": ["InChIKey:PLAPMLGJVGLZOV-VPRICQMDSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5190594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQNPIZUNNJKAH-MDZDMXLPSA-N", "SMILES:CC(C)=CCc1cc(/C=C/C(=O)O)cc(CC=C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAWZDTNXLSGCEK-DRMQKGJZSA-N", "SMILES:O=C(O)[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5173618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVPTOKDRKDYEW-HOIFWPIMSA-N", "SMILES:COc1cc(OC)c([C@@H]2CC[C@H]3C[C@@H](c4cc(OC)c(OC)cc4OC)Oc4cc(OC)c(O)c2c43)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRXBFYQOXOEZKN-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(O)c1C)Oc1c(C=O)c(O)cc(C)c1C(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRFWJSCLROXBBW-FUHHSGJXSA-N", "SMILES:CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL480082", "category": ["biolink:ChemicalEntity"], "name": "NIGRANOIC ACID", "xref": ["InChIKey:NJFOSFIPGRXARF-BRTULJEKSA-N", "SMILES:C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5178336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RISFNZXKDLHMHX-SOWSEWNGSA-N", "SMILES:C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)/C(=C(\\C)CC/C=C(/C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZSYVLCOGCXLL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cc(F)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBHLNBRHPAWLO-CMDGGOBGSA-N", "SMILES:COC(=O)/C=C/c1c(-c2cccs2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBHLNBRHPAWLO-HJWRWDBZSA-N", "SMILES:COC(=O)/C=C\\c1c(-c2cccs2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROHCQEVKECHSIS-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc(O)cc2)N1c1nc2ccc(Cl)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGQJVWDXRTUID-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc(F)cc2)N1c1nc2c(Cl)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSMGJFLBOSKFLN-UHFFFAOYSA-N", "SMILES:C=CCOCc1cn(C2CCON2C(=O)OCc2ccccc2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFPDBFXNIMOEX-UHFFFAOYSA-N", "SMILES:C#CCOCc1cn(C2CCON2C(=O)OCc2ccccc2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNHIYQLYIYVHQ-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)N1OCCC1n1cc(COCc2ccccc2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSNAEDJVONIQIM-JMFMGIQESA-N", "SMILES:Cl.O=C(O)C1CCCN(CCO/N=C(\\Cc2ccc(F)cc2)c2ccc(F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQNWSPUETZHQIX-XVNBXDOJSA-N", "SMILES:O=C(O)C1CCCN(CC/C=C/c2ccccc2-c2ccc(Cl)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQNWSPUETZHQIX-OPQSBORISA-N", "SMILES:O=C(O)[C@@H]1CCCN(CC/C=C/c2ccccc2-c2ccc(Cl)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HILHMDZVYKTQEG-JEMGFOFNSA-N", "SMILES:O=C(O)[C@@H]1CCCN(CC=C=Cc2ccccc2-c2ccccc2-c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCLDZNLJGPPWPE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCCN(CCCCN2CC3C4(c5ccccc5)CC2CC3(c2ccccc2)C4)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJDXGSQRTZVALJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCCN(CCCN2CC3C4(c5ccccc5)CCCC3(c3ccccc3)CC2C4)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLDUZLDZBVOAS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(OCCN2CCCC(C(=O)O)C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13817", "category": ["biolink:ChemicalEntity"], "name": "IBUTAMOREN", "xref": ["InChIKey:UMUPQWIGCOZEOY-JOCHJYFZSA-N", "SMILES:CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12"], "synonym": ["Ibutamoren", "Ibutamoreno", "Ibutamoren", "L-163,191"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSESQHONPXURFP-SANMLTNESA-N", "SMILES:CN1CCC(S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPNNMLJETJRRNS-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4nc5c(nc4c3P(C)(C)=O)CCCC5)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYWMSDFJAFEBDF-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N(C)CCS(C)(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTZOHGJOAQTKGJ-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(CCSC)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFCRMLIPZXPGDA-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(CCS(C)(=O)=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDYNBSXVINRQH-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1Cc1cc3c(Cl)cccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSMZZVRFWEEAV-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1Cc1cc3c(Br)cccc3nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOHLTWPTYNTYRD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCN4CCOCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOVBBVMDHIRCTG-LJQANCHMSA-N", "SMILES:O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5207241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKARWKGWOMMVSY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(C(=O)O)c(CNC(=O)c3cccc(OC)c3)c3ccc(C)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJCFZUDCWFOMDV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(C(=O)O)c(CNCc3ccc(O)c(OC)c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWHGWUKAYKMNAR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(C(=O)O)c(CNCc3cccc(O)c3)c3ccc(C(C)C)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZRITVEAAUSSZ-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCc2c(C(=O)O)n(Cc3ccc(F)cc3)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXXQPGWECWUPTQ-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCc2c(C(=O)O)n(Cc3ccccc3)c3cc(C(C)C)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OODFEAMHDLUOPR-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCc2c(C(=O)O)n(Cc3ccc(C)cc3)c3cc(C(C)C)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMZILGPZYBGFZ-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCc2c(C(=O)O)n(Cc3ccccc3F)c3cc(C(C)C)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZONOPHTLTWRR-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCc2c(C(=O)O)n(Cc3ccc(O)cc3)c3cc(C(C)C)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYMJQHGDTZNBA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+](CCC[n+]2ccc(/C=N/O)c(F)c2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDWIPWXVKWPBK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+](CCC[n+]2cc(F)c(/C=N/O)c(F)c2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHRBYITYJDDNOW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+](CCCC[n+]2ccc(/C=N/O)c(F)c2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDKSMBJFKVKBPP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+](CCCC[n+]2cc(F)c(/C=N/O)c(F)c2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHMNLGMWXYBRI-SEPHDYHBSA-N", "SMILES:NC(=O)c1cc[n+](C/C=C/C[n+]2ccc(/C=N/O)c(F)c2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDCWPRIOGSXASO-SEPHDYHBSA-N", "SMILES:NC(=O)c1cc[n+](C/C=C/C[n+]2cc(F)c(/C=N/O)c(F)c2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKLPXXRDXZMIV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTICJZKVUSLRW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+](CCCC[n+]2ccc(/C=N/O)cc2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWPKVJHGHLJKW-SEPHDYHBSA-N", "SMILES:NC(=O)c1cc[n+](C/C=C/C[n+]2ccc(/C=N/O)cc2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTVALPBGSAUYNR-UHFFFAOYSA-N", "SMILES:O/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1.[Cl-].[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCZVDZDCGNPJFY-SEPHDYHBSA-N", "SMILES:NC(=O)c1cc[n+](C/C=C/C[n+]2ccc(/C=N/O)c(Cl)c2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLLUEBIABZXRY-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2[nH]c(-c3ccccc3O)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHGLXNUIRLXTQE-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCc2ccccc2Cl)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJIHFFGGSNWLTI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEFFNUPUIAUIKG-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc(SCc2ccccc2Cl)[nH]c(=O)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODIXPHGVOBSEK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGXXBBGEOZNWNX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQHBNRYBGPWBT-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(OC(F)(F)F)cc2)nc(SCc2ccccc2Cl)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFJRDYJDMYTOX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISKANWLGZQZMED-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTZQZHLCXIYIF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNLTTNCVCIYHO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPEYXNFNQNVEQZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXDOJSKIEHEGEV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUCKHINIBILGX-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNHKQPGDJHOKV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)ccc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUQBOXYVKLMBP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIFLVTDUWJIEKY-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFXVCFYPHWYBER-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc3c(c2)OCCO3)nc(SCc2ccccc2Cl)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JERSOQRUJKBMNT-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc3c(c2)OCO3)nc(SCc2ccccc2Cl)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLDAPQDWXHDFR-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGCOQHXZYQMPTQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJKBAQAMFKZIF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOZGSXFRXEISO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)cc(O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVIILJGMRCXFZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3Cl)[nH]c(=O)c2C#N)cc(Cl)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKNNOLYRAGGZJW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCc3ccccc3Cl)n(C)c(=O)c2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIGCIGEJSFJCH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCc3ccccc3Cl)ncc2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPIAIWGVTUCYEU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCCc3ccccc3Cl)[nH]c(=O)c2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJLAFCNAJCFHT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(NCc3ccccc3)[nH]c(=O)c2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOWDHZENZTEKV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3C)[nH]c(=O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGAYHRXPMBLGJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3cccc(C)c3)[nH]c(=O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJIXSSFAZBHTQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccc(C)cc3)[nH]c(=O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFTHPLHGPRNEEF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3[N+](=O)[O-])[nH]c(=O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLINZKYNCZARRR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3C(F)(F)F)[nH]c(=O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSYJQUJCQHGOQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3ccccc3F)[nH]c(=O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSNNUCOKEBTVIM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3cccc(C)c3C)[nH]c(=O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMIKCTHCOHTGOQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCc3cc(C)cc(C)c3)[nH]c(=O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTVTSICPINUNG-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAYDPVLRDOPLGY-JWQCQUIFSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)N2CCC(N3C(=O)[C@H](c4ccccc4)[C@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQDGHPGHRDLMBC-KAYWLYCHSA-N", "SMILES:O=C(NO)c1ccc(CC(=O)N2CCC(N3C(=O)[C@H](c4ccccc4)[C@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSEMMBSLRMCHPX-CLJLJLNGSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)N2CCC(N3C(=O)[C@H](c4ccccc4)[C@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTKXNQZFUSLQQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CC(=O)N2CCC(N3CC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIQOBESGHNMNPM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)N2CCC(N3CC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNGWSDOSGXOCJL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(COC(=O)N2CCC(N3CC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCNQZOITVJFXQI-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2CC(=O)N2C2CCN(C(=O)NCc3ccc(C(=O)NO)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUZUWQSKIBQGSL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)N2CCC(N3C(=O)CC3c3cccc(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHMHACPDEGBJGG-IFNJAHOJSA-N", "SMILES:O=C(NO)c1ccc(/C=C/C(=O)N2CCC(N3C(=O)[C@H](c4ccccc4)[C@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNGMIVOAUXTAC-IFNJAHOJSA-N", "SMILES:O=C(/C=C/c1ccc(C(=O)N2CCC(N3C(=O)[C@H](c4ccccc4)[C@H]3c3ccccc3)CC2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCGMKBKNBWLBEO-VSGBNLITSA-N", "SMILES:O=C(CCc1ccc(C(=O)N2CCC(N3C(=O)[C@H](c4ccccc4)[C@H]3c3ccccc3)CC2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDTUXZVHSVICAW-VSGBNLITSA-N", "SMILES:O=C(NO)c1ccc(CCC(=O)N2CCC(N3C(=O)[C@H](c4ccccc4)[C@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYWMGSYGRMCVGA-KAYWLYCHSA-N", "SMILES:O=C(Cc1ccc(NC(=O)N2CCC(N3C(=O)[C@H](c4ccccc4)[C@H]3c3ccccc3)CC2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHQRHWJMFXACTB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccccc1NCCC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIHDIBSXLPWAV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NCCC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADQRSUBEYREJMT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NCCC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXJAZDQYJAZAT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccccc1NCCC(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJXOSPKNBZQEB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NCCC(=O)c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWNOQILXJWPSS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJYDTXFJFARKQI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNCCC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBBLYPUWQFMMR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NNCCC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKIVUCMTLVWPO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NNCCC(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRZAKMJZKOOAW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NNCCC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBXWXSOYJFFYSM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NNCCC(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNRCZXYTUPUPAF-OBGWFSINSA-N", "SMILES:NS(=O)(=O)c1ccc(NCC/C(=N\\O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRRMPHRICLNCLF-JZJYNLBNSA-N", "SMILES:NS(=O)(=O)c1ccc(NCC/C(=N/CCO)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPIDZFDYVFISK-QGYPPCSXSA-N", "SMILES:COc1cccc(OC)c1NC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFVQAVCSSYLARF-KGGJIYNHSA-N", "SMILES:COc1ccccc1NC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSHZPASQZITIC-UHFFFAOYSA-N", "SMILES:COc1cc2cc(Oc3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)c(C)nc2cc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLWMWXPAIGNKLB-UHFFFAOYSA-N", "SMILES:COc1cc2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c(C)nc2cc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUXTDKSYCKXFK-UHFFFAOYSA-N", "SMILES:COc1cc2cc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)c(C)nc2cc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLPLBYYWGUQPW-UHFFFAOYSA-N", "SMILES:COc1cc2cc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)c(C)nc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYWNCKLZETWRBX-PFONDFGASA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(CC(=O)Oc2cc(/C=C\\c3cc(OC)c(OC)c(OC)c3)ccc2OC)cc1)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLDRYNTEQUKFN-UGSOOPFHSA-N", "SMILES:O=C(Nc1nc2ccc(-c3cn([C@@H]4CN[C@H](C(=O)Nc5ccc(Cl)cc5Cl)C4)nn3)nc2s1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGJWNZFGYFENB-YWZLYKJASA-N", "SMILES:O=C(Nc1n[nH]c2cc(-c3cn([C@@H]4CN[C@H](C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)C4)nn3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFZSHPZKXBMCK-BBRMVZONSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cn([C@@H]3CN[C@H](C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2130955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XISMXQJXDBDZSJ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(C(F)(F)F)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYNOGBKNFIHKLE-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(/N=C/NO)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXADXBIGLLOFX-UHFFFAOYSA-N", "SMILES:O/N=C/Nc1ccc(N2CCOCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468043", "category": ["biolink:ChemicalEntity"], "name": "RUBIARBONONE C", "xref": ["InChIKey:NKSVARYCVTXDAJ-DMDMSIRMSA-N", "SMILES:CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]4O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL16782", "category": ["biolink:ChemicalEntity"], "name": "7-METHOXYFLAVONE", "xref": ["InChIKey:QKNDCRMJDZLFEG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)cc(-c3ccccc3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5185001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPYZYBMSBDDCD-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCOCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSBZAQRXXIXQF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Cl)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWMYPJVJYVLPIC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NC3CCNCC3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHSSDQKCNSMAU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(N3CCNCC3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBHDHTHZJWBSNP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NC3CCNC3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIWKSPUXGEQAW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Nc3ccccc3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSMMSVQLDJVETH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccccc3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXHSLJBVPFPJV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccccc3F)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPRRMPEEHYYNP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccccc3Cl)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBAVYNAZOYZQRG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccccc3Br)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNUWZKCIGDXYNR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3cccc(F)c3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQUZSQDCDHROJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3cccc(Cl)c3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVVCXMUKCHTGDU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3cccc(Br)c3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKWGPSDOQLVKK-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBOTPDRPIQGEY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEPSLPRCCPTTH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Br)cc3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJHAMZUWDONFQH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMPLIZHPZASFA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)c(F)c3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJHSMKLVWAZXOI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3c(F)cc(F)cc3F)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMALZNKTKQBEIZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(C#N)cc3)nc3[nH]ncc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVMGBNKFOGMBIX-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(Nc3cc(C)[nH]n3)c3cn[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHJSKDRCUMVWKF-UHFFFAOYSA-N", "SMILES:COc1c(Nc2cc(C)[nH]n2)nc(Sc2ccc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3F)cc2F)nc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZEJJGYHINKYFY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3c2cnn3C2CCNCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXQGIWYGDOFOS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3c2cnn3C2CCOCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCAGUHGYJKFNH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3c2cnn3CC(C)(C)O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKESSZDKVHMCPB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3c2cnn3CC(F)(F)F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSMPCGLZPLFNGJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3c2cnn3-c2ccc(F)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJLIBSPYFKTRO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3c2cnn3C2CCCCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZNTTUVDTYGFM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3c2cnn3C)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUNPTFJPZHEJF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3c2cnn3C(C)C)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPYJNDCKRXOAKV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCNCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDFJBAMCRJJGMV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3CC(C)(C)O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWQJHAODUHOLQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCCCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXHAUQUQIMFCLS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOPNRGVOHMXWRX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C(C)C)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSUMVKQLNMBTEM-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCOCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INEFUANWAXXSHD-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3cnn(C4CCOCC4)c3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXWFDAIPNTEBE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCOCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCSUKMCVLPVBA-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(-c4ccccc4)[nH]n3)c3cnn(C4CCOCC4)c3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBLDIXIXUPMKS-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cc(Nc3nc(NCc4ccc(F)cc4F)nc4c3cnn4C3CCOCC3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJYCXSZIMNWBJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3n[nH]c4ccccc34)c3cnn(C4CCOCC4)c3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBECBNDKUCTBRN-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3n[nH]c4ccc(Cl)cc34)c3cnn(C4CCOCC4)c3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXGZWQGLLPXFL-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCOCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMVIDGHKYXJSP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(Cc3ccccc3)nc(NC3CCNCC3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBUDRABUNBYJKG-WWAWLHJKSA-N", "SMILES:COc1ccc2c(c1)/C(=C\\c1ccc3c(/C=C/c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJFWXEIDXJHPGZ-DHZHZOJOSA-N", "SMILES:CC(=O)Nc1nccc(-c2ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCUSTLTHCEPIZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2cc3c(=O)[nH]c(=O)nc-3n(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOOCQQOCBSNIP-MOPGFXCFSA-N", "SMILES:CC(C)C(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5179715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOOCQQOCBSNIP-RTBURBONSA-N", "SMILES:CC(C)C(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5179728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOOCQQOCBSNIP-RBUKOAKNSA-N", "SMILES:CC(C)C(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5191036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOOCQQOCBSNIP-OALUTQOASA-N", "SMILES:CC(C)C(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5193479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNADCLXGDKXCND-UXHICEINSA-N", "SMILES:COc1c(C(=O)C(C)C)c2c(c3c1[C@@H](C(C)C)C1=C(O3)C(C)(C)C(=O)C(C)(C)C1=O)[C@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNADCLXGDKXCND-WOJBJXKFSA-N", "SMILES:COc1c(C(=O)C(C)C)c2c(c3c1[C@@H](C(C)C)C1=C(O3)C(C)(C)C(=O)C(C)(C)C1=O)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQPMWFBOGXIFA-UHFFFAOYSA-N", "SMILES:CC(C)C1C2=C(Oc3c1c(O)cc1c3C(C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQPMWFBOGXIFA-RBUKOAKNSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(O)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQPMWFBOGXIFA-MOPGFXCFSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3cc(O)c4c(c31)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]4C(C)C)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQPMWFBOGXIFA-RTBURBONSA-N", "SMILES:CC(C)[C@H]1C2=C(Oc3c1c(O)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQPMWFBOGXIFA-OALUTQOASA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(O)cc1c3[C@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKUAMVJQXNNCNT-LEWJYISDSA-N", "SMILES:CCOc1cc2c(c3c1[C@H](C(C)C)C1=C(O3)C(C)(C)C(=O)C(C)(C)C1=O)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVINRIYQVPLOFZ-FCHUYYIVSA-N", "SMILES:CC(C)Oc1cc2c(c3c1[C@H](C(C)C)C1=C(O3)C(C)(C)C(=O)C(C)(C)C1=O)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCALNXZKXDODAB-XZOQPEGZSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCC1CC1)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRFLJIXWDBKHGM-BJKOFHAPSA-N", "SMILES:CC(C)CCOc1cc2c(c3c1[C@H](C(C)C)C1=C(O3)C(C)(C)C(=O)C(C)(C)C1=O)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHJPJKVWDLXLZ-IZZNHLLZSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCc1ccccc1)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUQFPPVYYOSAE-RRPNLBNLSA-N", "SMILES:Cc1ccc(COc2cc3c(c4c2[C@H](C(C)C)C2=C(O4)C(C)(C)C(=O)C(C)(C)C2=O)[C@@H](C(C)C)C2=C(O3)C(C)(C)C(=O)C(C)(C)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHJUQWWPVQBSCW-RRPNLBNLSA-N", "SMILES:COc1ccc(COc2cc3c(c4c2[C@H](C(C)C)C2=C(O4)C(C)(C)C(=O)C(C)(C)C2=O)[C@@H](C(C)C)C2=C(O3)C(C)(C)C(=O)C(C)(C)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMJCOVGCYKJNX-WUFINQPMSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCCCc1ccccc1)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSGUUCDKNVQARU-RRPNLBNLSA-N", "SMILES:CCOC(CCCOc1cc2c(c3c1[C@H](C(C)C)C1=C(O3)C(C)(C)C(=O)C(C)(C)C1=O)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDYIVOHBDCGAAE-BJKOFHAPSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCCC1OCCO1)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SREMELUQXGETRW-XZOQPEGZSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCCN(C)C)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDFAASNEZCKSDI-BJKOFHAPSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCCCN(C)C)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMWGCFJEPNZJA-XZOQPEGZSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCC(=O)N(C)C)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBPXBKPIHDEHE-DYCCLRLQSA-N", "SMILES:CC(COc1cc2c(c3c1[C@H](C(C)C)C1=C(O3)C(C)(C)C(=O)C(C)(C)C1=O)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRQZSQHVQJVKH-LOSJGSFVSA-N", "SMILES:CCN(CC)CCOc1cc2c(c3c1[C@H](C(C)C)C1=C(O3)C(C)(C)C(=O)C(C)(C)C1=O)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRXPDOFFPQIVJM-IZZNHLLZSA-N", "SMILES:CCN(CC)CCCOc1cc2c(c3c1[C@H](C(C)C)C1=C(O3)C(C)(C)C(=O)C(C)(C)C1=O)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNHCOSEVUCOPW-LOSJGSFVSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCCN1CCCC1)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEODMGXZFMNHOT-IZZNHLLZSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCCCN1CCCC1)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCWEENHPLZDRD-LOSJGSFVSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCCN1CCOCC1)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPSXSDVBHYUEL-IZZNHLLZSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCCCN1CCOCC1)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSYXSHUJLCXNQ-RRPNLBNLSA-N", "SMILES:CC(C)[C@@H]1C2=C(Oc3c1c(OCCCN1CCN(C)CC1)cc1c3[C@@H](C(C)C)C3=C(O1)C(C)(C)C(=O)C(C)(C)C3=O)C(C)(C)C(=O)C(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGGGEMZOONSLOS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccccc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKIMWYWKGNRES-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(C)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COQNRGOKCACFOT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccccc3C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZRZSPPJAZFEJG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cccc(C)c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAVVLOXOOREGMY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUMVAOIWJPWJSS-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CN2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVLGGZJSFOSPJ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)CN2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITGIPXSLLIGBE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBLQFJYEPBZZCB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDYXGTLNSBQSQJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)CN2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAHROOCMJVPGHD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccccn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSNFHFPWUWEQG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(C)cn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNOSLPRLCKBIIH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cc(C)ccn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNLKTDCLBGJNQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cnccn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXSBPUHYZOSXTM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)NC3CCCCC3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTUIVHQNILWEHS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3nccs3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDLLWPWVSMIZGM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc4ncccc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQARKMLRVUXFU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc4nccnc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXIFBGBRCPLDG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cccc4ccccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQXUCVGHAOMQS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc4[nH]ccc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPZDMZWJLITNIG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3nc4ccccc4[nH]3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBRWGIPWCNEDW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3nc4ccccc4s3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJRKKLZXGMRJW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccccc3)CC2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNVNSDXYKUBFL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILJNGRUWDDWLI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQNAXRNYIBFFD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)NC3CCCCC3)CC2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNULSSDGQLTZCV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(N4CCN(C(C)=O)CC4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFRFPWFNEJVXIQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(N4CCN(C(C)=O)CC4)cc3)CC2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOGKPVKQKLTLU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(Cc4ccccc4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZZKYISFJDITPS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(Cc4ccccc4)cc3)CC2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVWVTVHEPKCFG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccccc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQMRSVZHWEJET-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C(=O)NCc3ccccc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTANRCRTDODBTO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHJAACZDWDHBFF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAEFPHCODYUVQH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3cnccn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBGCLXIHXJKXGT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc4ncccc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDIDCRGGDDOOPO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C(=O)NC3CCCCC3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTRBNPCWVIJVQA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(C)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOOCKHMHPHZHOU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDWDKRBHVSULHG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccccc3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORLZQSCDLRCNG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccc(F)cc3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUHJOPVHRDFSQM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccc(C(C)C)cc3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWVMGWUKBKNPAO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCCC(C(=O)NC3CCCCC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMANHPUIRKCPFL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(=CC(=O)Nc3ccccc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTKLVEFOMRACRU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(=CC(=O)Nc3ccc(F)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGZPFMIVALUYRH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(=CC(=O)Nc3ccc(Cl)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXFJOWEFWFHPY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(=CC(=O)Nc3ccc(C(C)C)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBGPOMYPGXXNLZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDNNXAYOYSHPF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXUWDDYPJUVINL-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZOSIAHFXMZGX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(=CC(=O)NC3CCCCC3)CC2)s1"]}
{"name": "Hexosaminidase D", "xref": ["CHEMBL.TARGET:CHEMBL5169180"], "id": "UniProtKB:Q8WVB3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHMXNAEXVRWTQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)CCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJWOVIQRJNQJI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)CCCCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLRGBUCUIJYPP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(CCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVYDZXSZKLYSRY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(CC(=O)NCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXBWDTDSMDBAQK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)CCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZXSDSVDQKWSGO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(CC(=O)NCCNc5cccc6c5C(=O)N(C5CCC(=O)N(C)C5=O)C6=O)CC4)cc3OC)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEWLUKGFOHQPN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(CC(=O)NCCNc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)ncc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1989043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMKHRICOLBXIP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTZPXHKJLWIAKG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c(C(=O)Nc4c(Cl)cccc4Cl)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPWKYIZLQQUOF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4ccccc4)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKZVMJSCGSEBO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4ccccc4Cl)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWCRIIOBDJWMPP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4ncccc4Cl)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUUCDNZACXXJSO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZIQCVGMKXLJK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(F)cccc4C(F)(F)F)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXCJIBPKAKACH-IYBDPMFKSA-N", "SMILES:C[C@@H]1CCC[C@H](C)N1C(=O)c1sc(Nc2ccc(N3CCN(C)CC3)cc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQBMFAFMTZCQTB-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc(N3CCN(C)CC3)cc2)sc1C(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQXIMAIEMUSYSB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)sc1C(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHURJYFLDPMEB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UISRWLSAXIOCND-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJYOUQQFZPJEG-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(N)c(C(=O)c3c(Cl)cccc3Cl)s2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWXSDWMRKCGRC-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C)CC2)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUWXPMFEDYRLTM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWYHKDMZXSHNLA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQMDXHWHDMGPCC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEWCQUEOJJYLF-UHFFFAOYSA-N", "SMILES:CN1CCN(S(=O)(=O)c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFISFVOOKCYLW-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHMJTCJXGOQGEX-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C)CC2)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIZPFVWZYLEGII-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C)CC2)ncc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTDHONKZUZNMOZ-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C)CC2)cnc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZPVUKVIGLCUPG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(C(=O)c2sc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZXLBVKAYSONS-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCOCC2)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWQNXXRFGMYDMQ-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCNCC2)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDSZVYUHWYXCW-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C)CC2C)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJWJQKHEVLEIH-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C)C(C(C)C)C2)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDAMDXDSPIYMI-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCC(O)CC2)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUDIJJINHPGKN-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCC3(CCN(C)CC3)CC2)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYAGXIPGJZUJN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1"]}
{"name": "DNA oxidative demethylase ALKBH2", "xref": ["CHEMBL.TARGET:CHEMBL5169164"], "id": "UniProtKB:Q6NS38", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEUBEDRAYJAPKX-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Cc1ccc(-n2nc(C(=O)O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTBURGKMCKOJC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)n(-c2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXFMNDLNSNRMQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)n(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTCHIELEZCCFJK-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-n2nc(C(=O)O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZXLGZKLBHDOI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)n(-c2cccc(Br)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWPLBQLRJHWYFZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2nc(C(=O)O)cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUEPANWAFHYPSJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)n(-c2ccc(Br)c(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXQYYLBIPYXCZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2nc(C(=O)O)cc2O)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGLREQGJEHMVDG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)n(-c2ccc(CS(=O)(=O)N3CCCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMYXXQWWSANLJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQBRWLPOYHHFPI-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(C(=O)O)cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPYEILFRIBEQM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)O)cc2O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGDETVTUNMWRU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)O)cc2O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVCPTUGCUSCNU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)O)cc2O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSPUPKNTFDLNP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)n(-c2ccc(CS(=O)(=O)NCc3ccc(F)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKVKLMMNFXFKN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)n(-c2ccc(CS(=O)(=O)NCc3cccc(F)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFQTLKEXJJRFE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)n(-c2ccc(CS(=O)(=O)NCc3ccccc3F)cc2)n1"]}
{"name": "Nucleic acid dioxygenase ALKBH1", "xref": ["CHEMBL.TARGET:CHEMBL5169151"], "id": "UniProtKB:Q13686", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPUXCMVAGNJWQF-JUTYNXCLSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHRVMILORCISLR-KGLAKQQASA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANCTGKADFWAPI-BUCZBDGVSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFFXYHWRWQDWTC-OUEBGFFASA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCUAHFZTUEWPH-BDMVNMLNSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQIQYVZFVAXVIP-FRMLODSESA-N", "SMILES:O=C(O)c1ccc(C(=O)NCc2ccccc2C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZZDYHXGWVKJAU-NMUBOVIUSA-N", "SMILES:O=C(O)c1cccc(C(=O)NCc2ccccc2C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZFMVBBSYMTNPH-QYNZQUMISA-N", "SMILES:CC(=O)NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOZHGLZXYRRBSQ-XAOABQRYSA-N", "SMILES:CC(=O)N(Cc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMMQFXZSPQQES-JUTYNXCLSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)Oc1ccccc1)CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQYBUPZZENVLPV-KGLAKQQASA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)Oc1ccccc1)CCc1ccccc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZOIPLRHDZPXJN-BUCZBDGVSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)Oc1ccccc1)CCc1ccccc1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMRICMVKAELDF-IADSKUHDSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)Cc1ccccc1)CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRIYNATORIAMB-FBRNXRPFSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)Cc1ccccc1)CCc1ccccc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QINJPLQYASORTC-AOKSPJGYSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)Cc1ccccc1)CCc1ccccc1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZZUSZXVFFTXLP-KIQDDBAESA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)Cc1ccccc1)CCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGJMEYQPEXTUEG-BVONYCCWSA-N", "SMILES:CN1CCN(C(=O)NCc2ccccc2C(=O)N[C@H](/C=C/S(=O)(=O)Cc2ccccc2)CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJDZPYLBGRDRV-AWXSUDRSSA-N", "SMILES:CNC(=O)Cc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMMDSLKGWOLPQ-FRMLODSESA-N", "SMILES:O=C(Cc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMHOTNEFPKARV-BDMVNMLNSA-N", "SMILES:O=C(Cc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)Nc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMYXORYWYRQAI-MUXFTLNZSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFYKPAFJBDXBL-GBTKGROXSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTGWAIDAXALQQ-QNBFMKIVSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFPRNVKEYWUQQU-UGYRVVAPSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C(\\F)S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBPSDVGKSFNGZ-MUXFTLNZSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc1ccccc1)CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZIKVHMTAITDNL-GBTKGROXSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc1ccccc1)CCc1ccccc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWYJRWYYCOVST-QNBFMKIVSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Oc1ccccc1)CCc1ccccc1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDGHGJWNHFEINE-PYRNPVBESA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc1ccccc1)CCc1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMKITDIXINCANQ-BFGIPYBGSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc1ccccc1)CCc1ccccc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKFSSUKTFPXPH-CLCCEFQUSA-N", "SMILES:O=C(NCc1ccccc1C(=O)N[C@H](/C=C(\\F)S(=O)(=O)Cc1ccccc1)CCc1ccccc1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGXXWKCQJYWTB-SIKLNZKXSA-N", "SMILES:O=C1[C@@H]2Cc3cc(O)c(O)cc3[C@@H](c3ccc(F)cc3)N2C(=O)N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGXXWKCQJYWTB-KNQAVFIVSA-N", "SMILES:O=C1[C@H]2Cc3cc(O)c(O)cc3[C@H](c3ccc(F)cc3)N2C(=O)N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHQQVOCLOEDEU-GHTZIAJQSA-N", "SMILES:O=C1[C@@H]2Cc3cc(O)c(O)cc3[C@@H](c3ccc(F)cc3)N2C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHQQVOCLOEDEU-NQIIRXRSSA-N", "SMILES:O=C1[C@H]2Cc3cc(O)c(O)cc3[C@H](c3ccc(F)cc3)N2C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMSMAYYGCMYOPA-SIKLNZKXSA-N", "SMILES:O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccc(F)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMSMAYYGCMYOPA-UGKGYDQZSA-N", "SMILES:O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(O)c(O)cc2[C@H](c2ccc(F)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUMXIOIXUWTSA-QHCPKHFHSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNMAHTYIVGTSJW-DEOSSOPVSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(C)cc1)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTPQLMKGNUUQCC-QHCPKHFHSA-N", "SMILES:COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCLKDGMKGQLPX-QHCPKHFHSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNSSQWDQAAEJR-QHCPKHFHSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVCVVNJRDXBEH-NRFANRHFSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)c(O)c1)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKYPMSPVXJQZIK-QHCPKHFHSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(N)cc1)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQOAYZKXOJQHQ-TURUBQNYSA-N", "SMILES:O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQOAYZKXOJQHQ-SNCRXCSTSA-N", "SMILES:O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEWFNWYUUICDJ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)c2N2CC(CN)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGOHDXJRSVZVBK-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cncc(-c3nc4c(F)cc(F)cc4[nH]3)c2N2CC(CN)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDYFGLZWIUQYJS-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4c(Cl)cccc4[nH]3)c2N2CC(CN)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGGPZAVXBQNMJ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2CC(CN)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDZZGBIMECPPGD-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4c(C#N)cccc4[nH]3)c2N2CC(CN)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKMMRIGTODZNO-UHFFFAOYSA-N", "SMILES:NCC1CN(c2c(-c3nc4c(F)cc(F)cc4[nH]3)cncc2-c2ccccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HASJYMBVXCMILU-UHFFFAOYSA-N", "SMILES:NCC1CN(c2c(-c3ccc(F)cc3)cncc2-c2nc3c(F)cc(F)cc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYHJKTDZAPCJBO-UHFFFAOYSA-N", "SMILES:NCC1CN(c2c(-c3cccc(F)c3)cncc2-c2nc3c(F)cc(F)cc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUKIROIQXTDQV-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4c(F)cc(F)cc4[nH]3)c2N2CC(CN)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAVQAJDVYVEQBI-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4c(F)c(F)ccc4[nH]3)c2N2CC(CN)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBSBMKSSZRFDW-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]c(-c3cncc(-c4cc(C)cc(F)c4)c3N3CC(CN)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUYKYNLBOTYHIY-UHFFFAOYSA-N", "SMILES:NCC1CN(c2c(-c3cccc(Cl)c3)cncc2-c2nc3c(F)cc(F)cc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGHCNUQPYLXIMZ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2cncc(-c3nc4c(F)cc(F)cc4[nH]3)c2N2CC(CN)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEACCEDRWDFZPO-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4c(F)cc(F)cc4[nH]3)c2N2CC(C)(CN)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHKAJFXRJFJXMO-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4c(F)cc(F)cc4[nH]3)c2N2CC(C(C)N)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTOKGWLBRRKBQL-UHFFFAOYSA-N", "SMILES:CC(N)C1CN(c2c(-c3cc(F)cc(C#N)c3)cncc2-c2nc3c(F)cc(F)cc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLJXCYHPZAREL-UHFFFAOYSA-N", "SMILES:CC(N)C1CN(c2c(-c3cc(F)cc(C(F)(F)F)c3)cncc2-c2nc3c(F)cc(F)cc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNMLMQTWIYXOB-UHFFFAOYSA-N", "SMILES:CC(N)C1CN(c2c(-c3cc(F)cc(Cl)c3)cncc2-c2nc3c(F)cc(F)cc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEDJAVRFLNHXMV-UHFFFAOYSA-N", "SMILES:CC(N)C1CN(c2c(-c3cc(F)cc(C(F)(F)F)c3)cncc2-c2nc3c(F)ccc(F)c3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEKSFTWITUWNKO-INIZCTEOSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4c(F)cc(F)cc4[nH]3)c2N2CC[C@H](N)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLKUTDOBPKJLJ-INIZCTEOSA-N", "SMILES:Cc1cc(F)cc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2CC[C@H](N)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNURDJSPJNPJSP-HNNXBMFYSA-N", "SMILES:N[C@H]1CCN(c2c(-c3cc(F)cc(Cl)c3)cncc2-c2nc3c(F)cccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNRAATFNBCBMPO-INIZCTEOSA-N", "SMILES:N#Cc1cc(F)cc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2CC[C@H](N)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRKHMONMSFYSC-INIZCTEOSA-N", "SMILES:N#Cc1cccc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2CC[C@H](N)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSPNXWNNUPHDTD-HNNXBMFYSA-N", "SMILES:N#Cc1cc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2CC[C@H](N)C2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZSJKDFFOVAOI-AWEZNQCLSA-N", "SMILES:N#Cc1cccc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2CC[C@H](N)C2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGUWQKPQCKJMS-HNNXBMFYSA-N", "SMILES:N#Cc1ccc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2CC[C@H](N)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCVPVMMHVQGPZ-SFHVURJKSA-N", "SMILES:Cc1cccc2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANOLJWIMSTRFL-INIZCTEOSA-N", "SMILES:N#Cc1cc(F)cc(-c2cncc(-c3nc4c(Cl)cccc4[nH]3)c2N2CC[C@H](N)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJNUFHFWKHCQNO-KRWDZBQOSA-N", "SMILES:Cc1ccc(F)c2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEYXVRHHVPPZDZ-SFHVURJKSA-N", "SMILES:Cc1cc(F)cc2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJHUIUKWIDBNZ-KRWDZBQOSA-N", "SMILES:Cc1c(F)ccc2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIVSEUVGQLHMOY-IBGZPJMESA-N", "SMILES:Cc1cccc2c1nc(-c1cncc(-c3cc(F)cc(C#N)c3)c1N1CC[C@H](N)C1)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPEQWZQNDQOWBU-IBGZPJMESA-N", "SMILES:Cc1cccc2nc(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)n(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKREBASWIVRFR-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2c(-c3cccc(C#N)c3)cncc2-c2nc3c(F)cccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFFAVAOEXEXDY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2CCC(N)(CO)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBGLYUOYPTFNI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2CCC(N)(C(F)(F)F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKREBASWIVRFR-DEOSSOPVSA-N", "SMILES:C[C@]1(N)CCN(c2c(-c3cccc(C#N)c3)cncc2-c2nc3c(F)cccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHFCAIOODMINV-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2CC(N)C(C(F)(F)F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLWDHUBPSHBMFQ-TZIWHRDSSA-N", "SMILES:CO[C@@H]1CN(c2c(-c3cccc(C#N)c3)cncc2-c2nc3c(F)cccc3[nH]2)C[C@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLWDHUBPSHBMFQ-CTNGQTDRSA-N", "SMILES:CO[C@H]1CN(c2c(-c3cccc(C#N)c3)cncc2-c2nc3c(F)cccc3[nH]2)C[C@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJMMEOSKTMMFRC-UYAOXDASSA-N", "SMILES:N#Cc1cccc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2C[C@@H](N)[C@H](O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBNMUAMVUMUFII-RTBURBONSA-N", "SMILES:N#Cc1cccc(-c2cncc(-c3nc4c(F)cccc4[nH]3)c2N2C[C@@H](N)[C@H](F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGALRRMBKHPFW-MHZLTWQESA-N", "SMILES:CNC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNBDSZCUXAFFG-LJAQVGFWSA-N", "SMILES:COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(NC(=O)NC(C)C)CC3)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJBTVKDUCCWKY-LJAQVGFWSA-N", "SMILES:COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(NC(=O)NC(C)(C)C)CC3)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGONTYBKIBJCCD-HKBQPEDESA-N", "SMILES:COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTDLBRMZRXZBM-NDEPHWFRSA-N", "SMILES:COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWVAPIQWRDSZTL-NDEPHWFRSA-N", "SMILES:COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZAIIPXTKASNQ-NDEPHWFRSA-N", "SMILES:COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCN(C(=O)C(C)(C)C)CC3)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNNWDFRSVZFSAT-HKBQPEDESA-N", "SMILES:COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCN(C(=O)C4CCCCC4)CC3)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXBFNJFQTVSRP-LJAQVGFWSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3cccc(CO)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEFPGKFCGQRFNV-LJAQVGFWSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(CO)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAHHZFAADGSYIF-LJAQVGFWSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(F)c(CO)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLCVDCDDCIBQS-LJAQVGFWSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(CO)c(F)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JASIWQPRQIUEHP-LJAQVGFWSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3cccc(CN)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDYOFCOCNOBNA-LJAQVGFWSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(CN)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFMRSUSVFPNDAU-NDEPHWFRSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3cccc(C(=N)N)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUMYGZUFLLTBN-NDEPHWFRSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(C(=N)N)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZAUWGVJQTZWAS-PMERELPUSA-N", "SMILES:COCc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(NC(=O)NC(C)(C)C)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCSYLNUUGDPMGI-YTTGMZPUSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(COC(C)(C)C)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTNZVPFRMKRODX-LJAQVGFWSA-N", "SMILES:Cc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(NC(=O)NC(C)(C)C)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYPDENBYSZZKK-LJAQVGFWSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3cc(F)c(CO)c(F)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSAOEYRJCDJPA-HKBQPEDESA-N", "SMILES:CC(C)Oc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(NC(=O)NC(C)(C)C)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXABLFYTPFRHJI-NDEPHWFRSA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGNLIKAXIRMNP-SANMLTNESA-N", "SMILES:CC(C)(C)NC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(N)nc3)c2)CC1"]}
{"name": "Prothrombin", "xref": ["CHEMBL.TARGET:CHEMBL4471"], "id": "UniProtKB:P00735", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOAWPYSTZJWRK-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVNESMTNLXHLQ-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWPVSNHKACEKW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDKSSOLKIUTSX-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1cnc(NCc2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMLSCDHUEHLYOU-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVWVZGYARCSOW-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYBYRHHEZONZJB-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGCLFPDCUINPZ-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQJXOSSQNWUTCS-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXAGWZSAKFQHQ-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDAYDYBLGKQZIT-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZOWFMXPDRVQD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC(=O)c2cc3cc(OC)ccc3s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSJAPOMLSBONGS-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3cccc4c3OC(F)(F)O4)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHWPFWYAQOXJO-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3cc(C)cc(F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUAZWCXHCMTZQU-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3cc(F)cc(F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZLPLSKPSWTRY-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3ccccc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBPYLQIQFZSFB-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3ccccc3Cl)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYZJHTVEGSPKNL-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3cc(F)ccc3F)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJSTHXWGDCWIE-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3ccc(F)cc3OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEONRZCTDBNSAL-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3cc(F)ccc3OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUECMGQBBGJJJV-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3ccccc3OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDJNPXMUVORVAS-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3cccc(OC)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMFTIKTLIRUSC-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3cc(C)ccc3OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPPJUXAZXCILEU-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3cc(Cl)cnc3OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHOLSFLTLHTCLX-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3ccc(Cl)cc3OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQDUGBZZWYNSK-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3ccc(C)cc3OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKVGKVBNKSTPMF-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3ccc(Br)cc3OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSUIEURJQQKYFF-UHFFFAOYSA-N", "SMILES:CCCOc1ccccc1C(=O)NC(=O)c1cc2cc(OC)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZQMTZCSULTPV-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1C(=O)NC(=O)c1cc2cc(OC)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUDGWPLGHSSYDP-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3ccccc3OC(F)(F)F)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGEWBHASCYHHKW-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3cccc(F)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQLKBWUOUBOKRE-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NC(=O)c3cc(Cl)ccc3OC)cc2c1"]}
{"name": "Dual specificity protein kinase CLK2", "xref": ["CHEMBL.TARGET:CHEMBL1075281"], "id": "UniProtKB:O35491", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNBGXFKXNXXHEZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4cn[nH]c4)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYIDARLAQQHPP-UHFFFAOYSA-N", "SMILES:CC1N=CC(c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLWYCOJREJRWLJ-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)Cc3cc(F)cc(F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBOQBZOZDRXCQ-BVRKHOPBSA-N", "SMILES:CNCC[C@@](O)(c1cccc2ccccc12)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTGHVZZHIDYGBB-ZQWAWDFXSA-N", "SMILES:CNCC[C@@](O)(c1cccc2ccccc12)[C@H](c1ccccc1)c1ccc(-c2ccc(Cl)cc2)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTPXIISPOLXRL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cn(-c3ccc(OCCCC(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDVCDHNBOJUNKO-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cn(-c3ccc(OCCCCC(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDKDBWKZDAKINH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cn(-c3ccc(OCCCCCC(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIHSPCPMTQXROQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cn(-c3ccc(OCCCCCCC(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFKPULXMQSKGAS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cn(-c3ccc(OCCCCCCCC(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDRXCXNISQMPH-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(COc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPPGXRJXMXVNLN-MDWZMJQESA-N", "SMILES:NC(=O)/C=C/c1ccc(COc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOOFJTDYIBCYJZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(OCCCC(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWOJDFFSCPHNG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(OCCCCC(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDUZDYVDMAAGB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(OCCCCCC(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJYAGUSEEGQLCW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(OCCCCCCC(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUJOBGUORBHLA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(OCCCCCCCC(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMOFMHLKVOAXBU-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(COc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGLUNPVTCZSDP-MDWZMJQESA-N", "SMILES:NC(=O)/C=C/c1ccc(COc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVPYBTYCSMGVJF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCN(C)c3ncc(C(=O)NO)cn3)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCDRECFEYCRYIZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(F)c(-c2nc3cc(C)ccc3n2CC2CCCNC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHHRLBCVCBDBN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(F)c(-c2nc3cc(C)ccc3n2CC2CCCN(C(=O)OC)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIDZKOPDDHQZDL-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCCC(Cn2c(-c3c(F)cc(C(=O)NC)cc3F)nc3cc(C)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWIVCUPYGZJQHQ-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCC(Cn2c(Cc3ccc(Cl)cc3)nc3cc(C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNFOCBIYILAWQH-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(Cn2c(Cc3ccc(Cl)cc3)nc3cc(C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVQKXCUNPPJQB-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCC(Cn2c(Cc3ccc(C(F)(F)F)cc3)nc3cc(C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATQUAIJVNLHVFG-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(Cn2c(Cc3ccc(C(F)(F)F)cc3)nc3cc(C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOFZMDAUCITIP-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCC(Cn2c(Cc3ccccc3)nc3cc(C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKEABCFSCRFRJE-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(Cn2c(Cc3ccccc3)nc3cc(C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAIMMABYHGQRRG-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCC(Cn2c(Cc3ccc(OC)cc3)nc3cc(C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKEWMYOELJUHNN-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(Cn2c(Cc3ccc(OC)cc3)nc3cc(C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKCCFSQHWFKTN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2CC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCCWRFGRCCDWJF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(Cc1ccc(C(F)(F)F)cc1)n2CC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQZBRIXVQIBLQ-UHFFFAOYSA-N", "SMILES:CN1CC(CO)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEEPDOLNLMOXHV-UHFFFAOYSA-N", "SMILES:CN1CCn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IASARPXIYPGZKZ-UHFFFAOYSA-N", "SMILES:CN1CCCn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMWBVWZUZMLHF-UHFFFAOYSA-N", "SMILES:CN1CCCCn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZTZZUXJDLDAX-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2c3c(nn2CCC1CO)CCN(C(=O)Nc1ccc(F)c(Cl)c1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBLZFMVHIUXMT-UHFFFAOYSA-N", "SMILES:CN1CCC(CO)n2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDYXXOEZGNVOX-UHFFFAOYSA-N", "SMILES:CN1CC(O)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXKGGZGHOULPV-UHFFFAOYSA-N", "SMILES:COC1CN(C)C(=O)c2c3c(nn2C1)CCN(C(=O)Nc1ccc(F)c(Cl)c1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKREISWIDTCBN-UHFFFAOYSA-N", "SMILES:CN1CC(OCC(F)F)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTJUBLRWFKWEAP-UHFFFAOYSA-N", "SMILES:CN1CC(N(C)C)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWABYJSEGYDOJV-UHFFFAOYSA-N", "SMILES:CNC1CN(C)C(=O)c2c3c(nn2C1)CCN(C(=O)Nc1ccc(F)c(Cl)c1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDOIBAULGVKXNM-UHFFFAOYSA-N", "SMILES:CN1CC(N)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNISIAJSTIHRSS-UHFFFAOYSA-N", "SMILES:CC(=O)NC1CN(C)C(=O)c2c3c(nn2C1)CCN(C(=O)Nc1ccc(F)c(Cl)c1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPUKWADPQKXQJ-UHFFFAOYSA-N", "SMILES:CC1CN(C)C(=O)c2c3c(nn2C1)CCN(C(=O)Nc1ccc(F)c(Cl)c1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVWHZYJVNODNFQ-UHFFFAOYSA-N", "SMILES:CN1CC(C(F)F)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSZVYOPIQIQKML-UHFFFAOYSA-N", "SMILES:CN1CC(F)(F)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGKLSBGWWETBH-UHFFFAOYSA-N", "SMILES:CN1CC(F)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKVGNSIAARSCKF-UHFFFAOYSA-N", "SMILES:CN1CC(F)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(Br)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTBZRCYUPWDNB-UHFFFAOYSA-N", "SMILES:CN1CC(F)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccnc(Br)c1F)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGHHYQRTIHXXHI-UHFFFAOYSA-N", "SMILES:CN1CC(F)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(C#N)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVIJWCPOWPTBEM-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)N2CCc3nn4c(c3C2)C(=O)N(C)CC(F)C4)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZRHZUPCQLUXRM-UHFFFAOYSA-N", "SMILES:CN1CC(F)Cn2nc3c(c2C1=O)CN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXAJFWHWOWREF-DGCLKSJQSA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(C#N)c1)C(=O)N(C)C[C@@H](F)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXAJFWHWOWREF-YPMHNXCESA-N", "SMILES:C[C@@H]1Cc2nn3c(c2CN1C(=O)Nc1ccc(F)c(C#N)c1)C(=O)N(C)C[C@H](F)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLEVCNALXMECJZ-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFAUOYIPDOQJFB-UHFFFAOYSA-N", "SMILES:CC1(C)COc2cc(F)ccc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRAZMSMUXWGJS-UHFFFAOYSA-N", "SMILES:CC1(C)COc2cc(F)c(F)cc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAGDCBXJGTFJK-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccc(C#N)cc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYAPQHNKJKOMKG-UHFFFAOYSA-N", "SMILES:CCOc1cc(C#N)cc2c1OCC(C)(C)C2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKAFEZABUWOAIC-UHFFFAOYSA-N", "SMILES:CC1(C)COc2cc3ccccc3cc2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQABTXZCLIPFNV-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccc3ccccc3c2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBDEVWSMYAGST-UHFFFAOYSA-N", "SMILES:CC1(C)COc2c(ccc3cccnc23)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZPZEWXJIKIIG-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJWJAOVMUCCTF-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C(=O)C(C)(C)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHDYBKNTTRNOQO-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccc(F)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVAINWFAHSMAI-UHFFFAOYSA-N", "SMILES:CC1(C)COc2cc3ccccc3cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGYANKWTKNHVMN-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccc3ccccc3c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAVAZIAKAFMICI-UHFFFAOYSA-N", "SMILES:CC1(C)COc2c(ccc3cccnc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCIDPMRVCVTIH-UHFFFAOYSA-N", "SMILES:CC1(C)COc2c(OC(F)(F)F)cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSQQDIZPIJJJO-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccccc2C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPPDSUTCQQITA-UHFFFAOYSA-N", "SMILES:COc1cccc2c1OCC(C)(C)C2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEBQLQPWCPCWDX-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(N)C(C)(C)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBONZYMOGEYNY-UHFFFAOYSA-N", "SMILES:CC1(C)COc2cc3ccccc3cc2C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJKVLUXUJBCXHB-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccc3ccccc3c2C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRVIZPVROUMLH-UHFFFAOYSA-N", "SMILES:C#CCNC1c2ccccc2OCC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEJLTGOPKTYNEC-UHFFFAOYSA-N", "SMILES:O=C1CC(OCCCCCSC(=S)N2CCCCC2)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKXCBOJEDCYMM-YKKXUYLKSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVCIVPTQWVWDV-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBCVAKRCHUMEFS-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAKOYDKYEVQJJY-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFXJSUCAXYTNU-MFDNGWNGSA-N", "SMILES:COc1ccccc1CN(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPORHAUKMJYTMM-IWWWZYECSA-N", "SMILES:COc1ccc(CN(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFRAKLSIJBICO-MXGQMUSSSA-N", "SMILES:CCOc1ccc(CN(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRZTFANDJENBX-MFDNGWNGSA-N", "SMILES:COc1ccc(CN(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN=[N+]=[N-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDZQAGTDUYWNC-IWWWZYECSA-N", "SMILES:COc1ccc(CN(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN=[N+]=[N-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGLWOYLPVHWDZ-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNDPORHXKXPJY-YKKXUYLKSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INEYUCMIFHLFKH-MFDNGWNGSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZOIOBKZYAWOV-GTKRZRNESA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSGWCSGMXAVYRT-YUMQZZPRSA-N", "SMILES:CC(C)C[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTMOPJXDYJIXLF-GTKRZRNESA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTUTOMJUWFHHH-NRFANRHFSA-N", "SMILES:O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)NC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJJFUQKKZFVLH-ZILBRCNQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(S)O[C@@H]3[C@H](O)[C@@H](COP(=O)(S)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVBVVKAQBTDQW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCOC)c2n1CCCNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDJKTFMWGKPHJT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(N2C=CNC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGKYJATVFXZKN-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPOYOFRJLJEMT-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(NC(=O)CN)ccc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTPYNGZECPSZIA-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(NC(C)=O)ccc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXQPUVHSPHCKZ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)sc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXMDSPUINUNUPJ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)sc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUAPMIJPKPOHSV-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2sc(C(N)=O)cc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSBLZPMDRDWBNZ-BQYQJAHWSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)sc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBXSLZYODXAFNV-MDZDMXLPSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)sc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHVBQMAILUMJB-BQYQJAHWSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)sc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC3COC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWANFTQPOLDVNM-BQYQJAHWSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)sc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCC3CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZNRCNMTHDRETM-DORXLWPQSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)sc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(O[C@H]3CCOC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSMZQRRMPUGHI-WHRKIXHSSA-N", "SMILES:[2H]c1cc(NC(=O)OCC)c(N)c(F)c1NCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTJDJRDSKNQFBM-UHFFFAOYSA-N", "SMILES:Nc1c(F)c(NCc2ncc(C(F)(F)F)cc2F)c(F)c(F)c1NC(=O)OC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABYIXDBMGLFCSO-UHFFFAOYSA-N", "SMILES:Nc1c(NC(=O)OC2CC2)ccc(NCc2ccc(C(F)(F)F)cc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTUKHNOWLHZDN-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1cc(F)c(NCc2ccc(C(F)(F)F)cc2)c(F)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDSCEOIUDLLDC-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc2[nH]c(-c3ccc(OC)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVDDMUCFJWZERA-LPTQZCDUSA-N", "SMILES:COc1ccc2c(c1)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)[C@@H](C(C)C)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSMZQRRMPUGHI-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)c(F)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRNEUNPCZGLCZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQGIJKWKPUTMR-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)Nc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAESUTGFTUPQNN-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGKLCSUYRIBDAI-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(F)cc(F)c1)Nc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXLISWDCITVDSS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2c1)OC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBGIOBXGULIKF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFFMKIVQZIKTCG-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVQJOVLOASRUMC-BBBIZMJLSA-N", "SMILES:COc1ccc2c(c1)[C@@H](NC(C)=O)[C@H](C)[C@@H](c1ccccc1)N2C(=O)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBLMUWIMFGMOL-IUPBHXKESA-N", "SMILES:CC[C@H]1Nc2ccc(OC)cc2[C@@H](NS(C)(=O)=O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCJIHABHLUPJA-RZDWPUGNSA-N", "SMILES:COc1ccc2c(c1)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)[C@@H](c1ccccc1)N2C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXIDJDNEIJENI-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1cc(F)c2c(c1N)S(=O)(=O)CC(c1ccccc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAZHCBVWOTYMP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2cc3ccccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDATVWQNKUJWIS-ZEWGMFERSA-N", "SMILES:COc1ccc2c(c1)[C@@H](NC(C)=O)[C@H](C)[C@@H](c1ccccc1)N2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGMYAHJROPECLZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)nc2)c(F)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLKBHHWVJKEWSK-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1C(C(=O)c2cc(Cl)ccc2Cl)C(c2ccccc2)N(C(=O)c2ccccc2)C1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLKBHHWVJKEWSK-QORCZRPOSA-N", "SMILES:CC(C)(C)[C@H]1[C@H](C(=O)c2cc(Cl)ccc2Cl)[C@H](c2ccccc2)N(C(=O)c2ccccc2)[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBFLUQJARJJHB-QORCZRPOSA-N", "SMILES:CC(C)(C)[C@H]1[C@H](C(=O)c2cc(Cl)ccc2Cl)[C@H](c2ccccc2)N(C(=O)C2CCCCC2)[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBDMWRHCNZJBW-FWEHEUNISA-N", "SMILES:COc1ccc(Cl)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)C2CCCCC2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILVHWAYOTZNMME-ZIUUJSQJSA-N", "SMILES:COc1ccc(C(C)(C)C)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)[C@@H]2CCCCO2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFQXGHBPRXWJD-NRQMHRBESA-N", "SMILES:COc1ncc(C2CCC2)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)[C@@H]2CCCCO2)[C@H]1Cc1cc(C2CCC2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGKRNQLQMTJNT-XLIKFSOKSA-N", "SMILES:Cc1ccccc1N[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)[C@@H]2CCCCO2)[C@H]1c1ccccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQLZDJOURMBLCT-KRCBVYEFSA-N", "SMILES:COc1ccc(C(C)C)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)C2CCCCC2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMJGXPBCAAHON-KRCBVYEFSA-N", "SMILES:COc1ccc(C(C)(C)C)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)C2CCCCC2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPRKNWJDUFJKIX-HHPCUSBKSA-N", "SMILES:COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)C2CCCCC2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLGZVQZESREATL-APHUYILGSA-N", "SMILES:COc1ccc(C23CC4CC42C3)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)C2CCCCC2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWLJDGSUGYPGN-LJWNLINESA-N", "SMILES:COc1ncc(C(C)(C)C)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)C2CCCCC2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLEVENQGVHXBLD-QORCZRPOSA-N", "SMILES:COc1ncc(C(F)(F)F)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)C2CCCCC2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJQRLQCIEBGLPR-DZUOILHNSA-N", "SMILES:COc1ncc(C2CCC2)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)C2CCCCC2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFBVURXFGOKBC-WJCXGNHWSA-N", "SMILES:COc1ccc(C(C)(C)C)cc1CN[C@H]1[C@H](C(C)(C)C)[C@@H](C(=O)O)N(C(=O)[C@@H]2CCCCO2)[C@H]1Cc1cc(C(F)(F)F)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKDPMJVZPJSSDS-IRGGMKSGSA-N", "SMILES:CC(C)c1ccccc1[C@H]1[C@@H](Nc2cccnc2N(C)C)[C@H](C(C)(C)C)[C@@H](C(=O)O)N1C(=O)[C@@H]1CCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCZMVDGRCQBGPQ-UHFFFAOYSA-N", "SMILES:C#CCN(CCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCN(C)c1cc(OC)c(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMBWVDGSVDKJC-UHFFFAOYSA-N", "SMILES:C#CCN(CCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCN(C)c1cc(OC)c(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKIAQVQAMMVHRV-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(CNCCc2c[nH]c3ccccc23)c(F)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWLYQKTWAMWCIV-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1C1=CCC(NCc2ccc(OCC(=O)NO)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJKKLAQQSQQGN-UDWIEESQSA-N", "SMILES:O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTFSIFWVZCKRAW-AYBMZKGYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cncc(C(F)(F)F)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGNHJHJOUWSMLX-DPECVYEBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C(F)(F)F)nc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOJMUBAEFHUBQZ-ZMLRHELBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVOHMOQVRXXOEQ-ICIPKDGVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1C(F)(F)F)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFKYTJJEZYGCTK-ZMLRHELBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc[n+]([O-])c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDARXQUSKBKAK-ZFJYVBOXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZXVSOBSSVOBLD-ICIPKDGVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1Br)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBZBUOFLIZFSG-DSFZQYGSSA-N", "SMILES:Cc1ccncc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYTVKFVSWIZAJA-ICIPKDGVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1S)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVJSKAUUFXBDOB-RTWAWAEBSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO"], "chembl_natural_product": true}
{"name": "Lysocardiolipin acyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL5169167"], "id": "UniProtKB:Q6UWP7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASGMMYNTJUENK-IFMGJYJNSA-M", "SMILES:O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)OCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC(O)CO)N1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUIQUQYVCFQBQ-UHFFFAOYSA-N", "SMILES:COc1cc2ccc(N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMARWSLXCQYNC-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C)c(N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQEJBRWZESBFDK-UHFFFAOYSA-N", "SMILES:CCc1cc2cc(OC)c(OCCCN3CCCC3)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQJMMQMUYDLNC-UHFFFAOYSA-N", "SMILES:COc1cc2cc3c(nc2cc1OCCCN1CCCC1)NCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKABCGHZIDEUNT-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C)c(NCc3ccccc3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHYRXLJGNSPRGA-UHFFFAOYSA-N", "SMILES:COc1cc2c(N)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQHWZRUQMETCZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCC3)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBNDMCFHWUOREA-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCCC3)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYMMKKJPARSNU-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC(=O)O)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSFFEZXVVGRNQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC(N)=O)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVQLCZLVYAJRL-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCCC(=O)O)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJXNYIVGMQXAMD-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCCC(N)=O)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDKARMJRFVQCIS-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCCN)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNZKWRSWQWERQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCCNC(C)=O)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTSAKZPLLRYFX-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CC(C(=O)O)C3)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEWGJVCAKGXAA-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CC(C(N)=O)C3)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATENUHBFGBAHLE-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CC4(CCN4)C3)ccnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCZGBRPOQMWWRA-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc2ccccc2n1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJHCPONPWOJWKR-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc2ccccc2c1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJSGPZOAORNJM-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1cc2ccccc2o1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAUQUDLQMVCUDE-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)CCCNC(=O)c2ccc3ccccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOGNMQAKCQXTH-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)CCCNC(=O)c2ccc3ccccc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHCDGYQTXVZSOO-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)CCCNC(=O)c2cc3ccccc3o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJHZRLIPHWOFEC-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccco1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRCLKUNSDLBUKP-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)CCCNC(=O)c2ccco2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFODDKYXQQXIW-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASBFKGREGBKFKP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYOIFILRWBOCG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2Cl)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZNJDFQCVFGCIY-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2cccc(Cl)c2)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUJROGGOMXCFU-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2cccc(Cl)c2F)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDRGMQBOQWNPL-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccc(Br)cc2)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPQCQHHHXHQWPB-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccc(F)c(F)c2)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDUWVKRPBPEZLT-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2cccc3ccccc23)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGKDUSOXYLVPO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccc(F)cc2F)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDSNKVYOHMZTO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2cc(F)ccc2F)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNKKMHBYYHGSO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2c(F)cccc2F)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXLTIGHXWIJRY-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Oc2ccccc2)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRCESJOOUMFSY-UHFFFAOYSA-N", "SMILES:Cc1cccc(OC(C)c2cc(C)cc3c(=O)nc(N4CCOCC4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDFNWPUFKVITO-UHFFFAOYSA-N", "SMILES:COc1cccc(OC(C)c2cc(C)cc3c(=O)nc(N4CCOCC4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBMBYBRDSROGR-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Oc2ccccc2C)c2oc(N3CCOCC3)nc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCXIJAYLCUSHC-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2)c2oc(N3CCOCC3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFKCGBMUZVVLI-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC(c3cc(-c4ccccc4)[nH]n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCWZTDBABTVENH-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SACMWQXEALUQNE-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXJRNSSFQSUUFC-UHFFFAOYSA-N", "SMILES:Brc1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYWPLSGJYYMFDL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CN2CCC(n3cc(Cc4ccc(Br)cc4)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWSOZDLNDCOUIX-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCC(n3cc(Cc4ccc(Br)cc4)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFFULVCSYALHCN-UHFFFAOYSA-N", "SMILES:Nc1ccc(CN2CCC(n3cc(Cc4ccc(Br)cc4)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXUADJHBRODCJR-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPIAZBZBOPFVIH-UHFFFAOYSA-N", "SMILES:COCCn1c(C(=O)NCC(O)c2ccccc2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSBKCNOCGMNGG-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMLMXGIKGMFOC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)nc(SCC(=O)N1CCOC1=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYFIPSDNWBOCV-UHFFFAOYSA-N", "SMILES:O=C1NCCN1C(=O)C(Cc1ccccc1)Sc1nc2cc(Cl)ccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSVJWWQPIDGOX-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(SC(Cc1ccccc1)C(=O)N1CCNC1=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUAVDHDGCGFLRX-UHFFFAOYSA-N", "SMILES:O=C1OCCN1C(=O)C(Cc1ccccc1)Sc1nc2cc(Cl)ccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDZLEDWUIPLIL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(SC(Cc1ccccc1)C(=O)N1CCOC1=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHIAEYQUVFTGR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)nc(SC(Cc1ccccc1)C(=O)N1CCOC1=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFDHJDYHFVGFEN-UHFFFAOYSA-N", "SMILES:O=C1OCCN1C(=O)C(Cc1ccco1)Sc1nc2cc(Cl)ccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTFBYKYODXVAK-UHFFFAOYSA-N", "SMILES:O=C1OCCN1C(=O)C(Cc1ccco1)Sc1nc2ccc(Cl)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQRRSUMFACPNKT-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(SC(Cc3ccco3)C(=O)N3CCOC3=O)n(Cc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJJFYKOJDAFEF-UHFFFAOYSA-N", "SMILES:O=C1OCCN1C(=O)C(Cc1ccco1)Sc1nc2ccc(O)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQXKERHGLSPYPQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1)N1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCAVMMSYLEWKB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Cl)nc(SCC(=O)N1CCOC1=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQAHEQFYRSWTNQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Cl)c(O)cc2n1Cc1ccccc1)N1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKBJVGPLGOBPLT-UHFFFAOYSA-N", "SMILES:O=C1OCCN1C(=O)C(Cc1ccco1)Sc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXFELONCIFRJD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Cl)nc(SC(Cc1ccco1)C(=O)N1CCOC1=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GORSVQYEWPOYEY-UHFFFAOYSA-N", "SMILES:O=C1OCCN1C(=O)C(Cc1ccco1)Sc1nc2cc(Cl)c(O)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPVRNNEAOBWGJ-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYXNQSQNJIKGP-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCVWICUBZDORS-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCNMJLRKWYKBBZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEZRNSQBXOWDMI-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPFZSNLWOSMIW-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLWFBXQPNMBWJJ-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJHOOBOWOGYAJ-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHFPWTGFGYZHEC-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNEURSCKWYCFQX-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBDDFAGBJKUSTL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(NCCCNC(=O)Nc3ccc(F)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHDVYYMZFVABP-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(N3CCN(C(=O)Nc4ccccc4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYQCPFUZIYKJS-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULVGZBQVRJAIQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(N3CCN(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCQTCRZIKMCPD-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKWSFNDEMWBYOK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(N3CCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SETUZDZATNQNPE-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(N3CCN(C(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFODDWMFNMVPV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCN(c2cc(-c3cn(-c4ccccc4)nc3-c3cccc(O)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYVICTWHFCUYNP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)N1CCN(c2cc(-c3cn(-c4ccccc4)nc3-c3cccc(O)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWYMADLURCSIU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2cc(-c3cn(-c4ccccc4)nc3-c3cccc(O)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYTYPQIAQRSIDG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc(-c3cn(-c4ccccc4)nc3-c3cccc(O)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJAJDOWMQVDEOT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cc(-c3cn(-c4ccccc4)nc3-c3cccc(O)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAOJPWQOBWFKLR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2cc(-c3cn(-c4ccccc4)nc3-c3cccc(O)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLOIQHNUARDSR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCNCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBYXAIWQPQYQN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C(=O)c2c(-c3ccc(OC)cc3)nc(NC(=O)CN3CCc4cc(OC)c(OC)cc4C3)n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNABKXZKYMQGRR-UHFFFAOYSA-N", "SMILES:CNCC#Cc1cc(C)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHLCKRYTZYOGZ-UHFFFAOYSA-N", "SMILES:CNCCCc1cc(C)cc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGCIQPLIAZGRO-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(CCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGJRTCMKOXFHS-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C#CCN2CCN(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKIQNSRANOUEL-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(CCCN2CCN(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWAXYJVGMJZMLB-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C#CCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXKFDZMVGIZFJ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(CCCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJUWVNWEQOIPOJ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C#CCN2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUPTLRCBSMECG-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(CCCN2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKLMOHQZBDLIM-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C#CCN2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDAAAGCJFIIKZ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1934449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJMXKFSOKLFYRC-CKNDUULBSA-N", "SMILES:CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5190623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJZEIHVOAVBPG-TZCHNKEBSA-N", "SMILES:C#CCOCC(=C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)/C(CO)=C\\[C@H]2OC(=O)C(=C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZWORNNTXVSPMN-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)nc2)n1"]}
{"name": "Utrophin", "xref": ["CHEMBL.TARGET:CHEMBL5169217"], "id": "UniProtKB:E9Q6R7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFHRPBGJQAVLB-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(-c2ccc(C(F)F)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZXUFNGWSJTGC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(-c3ccccc3)nc(C(=O)NN)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKXQSALRREISY-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(-c2ccc(N)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWKAAOLAUCGEA-UHFFFAOYSA-N", "SMILES:COCCNc1ccc(-c2cc(-c3ccccc3)nc(C(=O)NN)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVROYAJTQDFPJR-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYPQIXJFFZEIJL-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(O)cc2)cc(-c2ccc(C(F)(F)F)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUXQWDJFIVYZSR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(-c3ccc(C(F)(F)F)nc3)nc(C(=O)NN)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRXNMRXHVGACF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(C(F)(F)F)nc3)nc(C(=O)NN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWMWYYAFNVPADO-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(OC(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNKRGRHUCUWHEI-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVMYOZKNDYIANM-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(Cl)cc2)cc(-c2ccc(C(F)(F)F)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDISERVJAYKQH-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJKXPUONKIYRX-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2ccc(O)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTPDPABQXUEFN-UHFFFAOYSA-N", "SMILES:COCCNc1ccc(-c2cc(-c3cccc(F)c3)nc(C(=O)NN)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOBNACPWPRYQDX-UHFFFAOYSA-N", "SMILES:COCCNc1ccc(-c2cc(-c3cc(F)ccc3F)nc(C(=O)NN)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHLKFAUNYYTYHE-UHFFFAOYSA-N", "SMILES:COCCNc1ccc(-c2cc(-c3cccc(OC(F)F)c3)nc(C(=O)NN)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCZEBFHZLYNHI-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEULTOGEXFWTLK-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2ccsc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALVKXZYHRJIDJN-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2cc[nH]c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOBBXXSMMVFOD-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2cc3ccccc3o2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVGNPQRHFFUQEE-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2cc3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTIERBIDKCAGT-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C3CC3)nc2)cc(-c2ccc(C(F)(F)F)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTZJIQIPGASFJ-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(N)nc2)cc(-c2ccc(C(F)(F)F)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYKIBTYDUWLET-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2cncc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUERXQWRYKJCCJ-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(-c2ccnc(N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHTHXEQWPTZLEQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(C(F)(F)F)nc3)nc(C(=O)NN)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLLLDMSNDUFCT-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(NCc2ccc(O)cc2)cc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXEVCAORNQVPSO-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2CCN(c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOWMFWXLKBXJF-UHFFFAOYSA-N", "SMILES:COC1CCN(c2cc(-c3ccccc3)nc(C(=O)NN)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZXTUSBFUMMCA-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2CCC(c3ccccc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJDUFGPTKPSBV-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2CC3CSCC3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIXQKZYDYJLOA-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2Cc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLSHYPXQHBAPC-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2CCc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLQYGSVCZUDDAK-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2Cc3cccnc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSCXDVUIFGGJK-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2CCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXCJQKXGDIQENV-UHFFFAOYSA-N", "SMILES:CC1Cc2ccccc2CN1c1cc(-c2ccccc2)nc(C(=O)NN)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMNXUHUDBKIRJ-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2CCc3cccnc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQZYMPOEKMKEO-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2CCc3ccncc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKCVBUVJXOUTH-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2CCc3cnccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOKDSNABVGDIV-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccccc2)cc(N2CCc3ccccc3CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIAPZUMGJMVXLT-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(N2Cc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQLVYUECKNLAR-UHFFFAOYSA-N", "SMILES:COCCNc1ccc(-c2cc(N3Cc4ccccc4C3)nc(C(=O)NN)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNJHUGINGAGSK-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(O)cc2)cc(N2Cc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEPJXWVVCJKDQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N3Cc4ccccc4C3)nc(C(=O)NN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXTCRIROBOBAGT-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2cccc(O)c2)cc(N2Cc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGEGFFNOHFBLGB-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc3ccccc3c2)cc(N2Cc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBMBUNMWVODONI-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc3ccncc3c2)cc(N2Cc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NADOKXPEOBZOFV-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc3cccnc3c2)cc(N2Cc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDEIUNXNJKIEDW-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc3[nH]ccc3c2)cc(N2Cc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCUWRHIHVTALL-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)cc(N2CCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXOXGOUIRUOKHS-UHFFFAOYSA-N", "SMILES:COCCNc1ccc(-c2cc(N3CCc4ccccc4C3)nc(C(=O)NN)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORSACWCZVRGGO-UHFFFAOYSA-N", "SMILES:NNC(=O)c1nc(-c2ccc(O)cc2)cc(N2CCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXMMDIWPWVEDPY-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(OCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDCQFFFNLKLGO-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(OC(=O)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSQJSAEHSCRQN-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(NCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBKPJUNZWQSJOF-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(OCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBNHQJVJLARADC-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOQDFANLUZZNB-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHQKIFHCFWSTI-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(NC(=O)c3ccccc3Nc3cccc(Cl)c3C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHOOFXWDECJQKQ-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(N2CCN(C(C)C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLXWHZGWLYAHN-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc(NC(=O)c3ccccc3Nc3cccc(Cl)c3C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHYPDBACSVDIFR-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(c2ccc(NC(=O)c3ccccc3Nc3cccc(Cl)c3C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXCKYOBVRSDKMW-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLDEFJRLPAKGP-UHFFFAOYSA-N", "SMILES:COCC(=O)Oc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBVLLBVHAWLNMR-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYLTZDTVJJMFKT-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWENYPXTGVGEGG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Nc3cccc(Cl)c3C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYNHIJGYCRJLN-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKYMIZSTCGMVHJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1nc(C)c(C(=O)Nc2ccc3ccccc3n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVSFVFIMDDDELE-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-n1nc(C)c(C(=O)Nc2ccc3ccccc3n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOJRFVRPOFEOI-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2C(C)C)c(C)c1C(=O)Nc1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZCMXBNEWZRNEL-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2F)c(C)c1C(=O)Nc1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROGQMBKYAHEBV-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2Cl)c(C)c1C(=O)Nc1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOZBAHUMDUOUGE-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2Br)c(C)c1C(=O)Nc1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKPZTWHOZOAOS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(-n2nc(C)c(C(=O)Nc3ccc4ccccc4n3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBRQZMOLZDXEAJ-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2cc(Cl)ccc2Cl)c(C)c1C(=O)Nc1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKFSDIYMRLZEP-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2c(F)cccc2Br)c(C)c1C(=O)Nc1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3276007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFHVCODMDZNZEA-PCUGXKRQSA-N", "SMILES:O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"name": "UDP-galactopyranose mutase", "xref": ["CHEMBL.TARGET:CHEMBL5169233"], "id": "UniProtKB:Q48485", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:573"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPDGPVCCWBXOHQ-KXKDPZRNSA-N", "SMILES:O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNAJLIBARJZOEN-KXKDPZRNSA-N", "SMILES:O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccc(F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOCIUCKQELNRGS-KXKDPZRNSA-N", "SMILES:O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMOLMKZVRCMZHQ-KXKDPZRNSA-N", "SMILES:O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPQYFPFLKCJQN-KXKDPZRNSA-N", "SMILES:O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccc(I)cc1)C(=O)O"]}
{"name": "UDP-galactopyranose mutase", "xref": ["CHEMBL.TARGET:CHEMBL4450"], "id": "UniProtKB:P9WIQ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUQLEOOOWJRETO-MRXNPFEDSA-N", "SMILES:C[C@]1(CN2Cc3nc(-c4ccc(F)cc4)sc3C2)CN=C(N)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBSDZSVXFHUEOG-SFHVURJKSA-N", "SMILES:C[C@]1(CN2Cc3nc(-c4ccc(F)cc4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202666", "category": ["biolink:ChemicalEntity"], "name": "DM-6705", "xref": ["InChIKey:YDAIKJSLITWSBP-JOCHJYFZSA-N", "SMILES:C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)CN=C(N)O1"], "synonym": ["Dm-6705"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYRKZDETMXFKE-QORCZRPOSA-N", "SMILES:CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBAQTKMASRCMG-FFYZIMEISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)OC(C)(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRWJNPTXOHWGQ-FFXRMZKPSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESFUGFVZGOZJQ-FFYZIMEISA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DABXPLMLZXRFGM-HVURCESRSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUPUNARRGILGQ-MYGLTJDJSA-N", "SMILES:CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCBQUIHQGWUEV-MYGLTJDJSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELXTSKXIOIWNE-BFDHNVDPSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOLHIZQTIKNGP-PQSFEVJCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1cccc(Cl)c1)[C@@H](C)OC(C)(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUTDHWCISXZICV-LFBFJMOVSA-N", "SMILES:CC(C)[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIENCHBZNNMNKG-QOTRURMSSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAQZTNGABLBVAD-CMOCDZPBSA-N", "SMILES:CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDHMWDRJYQKNDV-CMOCDZPBSA-N", "SMILES:C=C(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGDKXMQLBDRAE-CMOCDZPBSA-N", "SMILES:CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQSOJMQUQKMKRZ-SQOUVECCSA-N", "SMILES:CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccco1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTFGRDXCFYARD-CMOCDZPBSA-N", "SMILES:CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZNNFIVZKAFSM-STFWXSJUSA-N", "SMILES:CC(C)[C@](C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGMVCDNJVFZRF-UFYCRDLUSA-N", "SMILES:CC(C)(C)C[C@H](NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFAKCHGRFSJTJ-VABKMULXSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1(NC(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZJDRMCNXLXFAH-CMOCDZPBSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIFXLOFHLLUBS-YDWJEQILSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPJDKCMFIPBAW-LJEYKDQBSA-M", "SMILES:CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHYGYHBVKWREW-CMOCDZPBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOAWOVDMMGJUQG-QORCZRPOSA-N", "SMILES:CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTIXBVOWNFOPEM-UHFFFAOYSA-N", "SMILES:c1cc2c(cn1)Oc1ccc3cc1N2CCCCNCCCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBRDJCVMLCISF-UHFFFAOYSA-N", "SMILES:c1cc2c(cn1)Oc1ccc3cc1N2CCCCNCCOCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBWDBYLOIJUON-UHFFFAOYSA-N", "SMILES:CN1CCCCN2c3ccncc3Oc3ccc(cc32)OCCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIKQPRJPUOQFOZ-UHFFFAOYSA-N", "SMILES:c1cc2c(cn1)Oc1ccc3cc1N2CCOCCNCCCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWQBZJQMAGPBQ-UHFFFAOYSA-N", "SMILES:c1cc2c(cn1)Oc1ccc3cc1N2CCCCCNCCCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHFAGYDSLOTWQD-UHFFFAOYSA-N", "SMILES:c1cc2c(cn1)Oc1ccc3cc1N2CCCCCNCCOCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNXNNVHPARBBS-UHFFFAOYSA-N", "SMILES:c1cc2c(cn1)Oc1ccc3cc1N2CCCCNCCCCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBMMPMXIKUYJHJ-UHFFFAOYSA-N", "SMILES:c1cc2c(cn1)Oc1ccc3cc1N2CCOCCNCCCCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQVLTAFLRLYCM-UHFFFAOYSA-N", "SMILES:c1cc2c(cn1)Oc1ccc3cc1N2CCOCCNCCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUGDQFMAHYTENJ-UHFFFAOYSA-N", "SMILES:c1cc2c(cn1)Oc1ccc3cc1N2CCCNCCOCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBFHRFBVLAAAI-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCCN(C)C(=O)c2cnc(CC(=O)c3ccc(OC)cc3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCCKPXAWGIUKEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)N(C)CCCOc3cccc(OC)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEXCASURBOWUBQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)N(C)CCCOc3ccc(OC)c(OC)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEOTPVKJIFUJO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)N(C)CCCOc3ccc([N+](=O)[O-])cc3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUXXPTABOIXEMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)N(C)CCCOc3ccc(C(F)(F)F)cc3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEQXHKNKEORMGO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)N(C)CCCOc3c(F)c(F)c(F)c(F)c3F)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXIOHUDJFOISAV-UHFFFAOYSA-N", "SMILES:CN(CCCOc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(CC(=O)c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNUQUBOFJPVQT-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Cc2ncc(C(=O)N(C)CCCOc3ccc([N+](=O)[O-])cc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRNTAGWOJVGBL-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Cc2ncc(C(=O)N(C)CCCOc3ccc([N+](=O)[O-])cc3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLUABFMKPMTHL-UHFFFAOYSA-N", "SMILES:CN(CCCOc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(CC(=O)c2ccc3c(c2)OCO3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIATZZGPDRBDZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)N(C)CCCOc3ccc([N+](=O)[O-])cc3)cn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTAEXLOOHICDN-UHFFFAOYSA-N", "SMILES:CN(CCCOc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(CC(=O)c2cccs2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUFSEXREKKJTN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)NCc3ccc(OC)c(OC)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORAHSLZARVMGAX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHJUQLRFUJEME-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDMMSOGPFQLQX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)Nc3ccncc3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUEIMIQGMDJTQI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cc2ncc(C(=O)NCc3cccs3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWTDIKXTYPSWOW-UHFFFAOYSA-N", "SMILES:c1ccc(CNCCCCCNc2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMAUGEPOORLEGX-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)C(C(=O)Nc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNHRBYVQWXKJO-UHFFFAOYSA-N", "SMILES:CN(C(=O)C1CN(S(=O)(=O)c2ccc(N)cc2)CCN1C(=O)c1cc(O)c(O)c(O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVNHTMVNCVGEM-UHFFFAOYSA-N", "SMILES:CN(C(=O)C1CN(S(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)c1cc(O)c(O)c(O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBRDGWFDBGXWDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)C2CN(S(=O)(=O)c3ccc(N)cc3)CCN2C(=O)c2cc(O)c(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSXWZYRKATMTP-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)C(C(=O)NCc3ccco3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PROCLCZZFLLLMZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)C(C(=O)NCc3ccc(-c4ccccc4)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMXRIOUDLUGPJO-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUCCCHVTIWQDLS-UHFFFAOYSA-N", "SMILES:CN(C(=O)C1CN(C(=O)c2cc(O)c(O)c(O)c2)CCN1S(=O)(=O)c1ccc(N)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSJHOBUXVOJFOB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)C2CN(C(=O)c3cc(O)c(O)c(O)c3)CCN2S(=O)(=O)c2ccc(N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLZDLGBTSQPDPX-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2C(=O)NCc2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBJKRPZKOXGWHD-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2C(=O)NCc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTDDBCUSUVYCP-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2C(=O)NCc2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODUQXDUJJCLHRZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)C3CN(C(=O)c4cc(O)c(O)c(O)c4)CCN3S(=O)(=O)c3ccc(N)cc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULPRIITYRITGZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVJPPRBYHKMKQN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)C(C(=O)Nc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIYWMWWSGIVBB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)C2CN(S(=O)(=O)c3ccc(C#N)cc3)CCN2C(=O)c2cc(O)c(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOKJNVLFTQPPJU-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)C(C(=O)NCc3cccs3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVWLYKAIGIEPE-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)C(C(=O)NCc3ccc(-c4ccccc4)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOYDXVELGNENN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)C(C(=O)NCc3ccco3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFSIYTRGEOCQFD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)C(C(=O)NCc3ccc4ccccc4c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKNVYAPUMCWRU-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NC(=O)CNCCCCCCCCCCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFAVTRSCMQOEDC-OPYALOGVSA-N", "SMILES:C=C1C(=O)OC2C[C@@]3(C)CCC=C(CN4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOOMZKACJCRDD-KGRUJLHOSA-N", "SMILES:C=C1C(=O)OC2C[C@@]3(C)CCC=C(COC(=O)CC4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWLMZMBNXJKMX-CHMXZITNSA-N", "SMILES:C=C1C(=O)OC2C[C@@]3(C)CCC=C(COC(=O)CCC4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAAPDJWGKNKYCK-VWERMSHESA-N", "SMILES:C=C1C(=O)OC2C[C@@]3(C)CCC=C(COC(=O)CCCC4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGRAXBLUOPOPT-VGGYOFDRSA-N", "SMILES:C=C1C(=O)OC2C[C@@]3(C)CCC=C(COC(=O)CC4CCCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)C4)C3=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZRYBQOFUMYXNI-HDRCEPDYSA-N", "SMILES:C=C1C(=O)OC2C[C@@]3(C)CCC=C(COC(=O)C4CN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)C4)C3=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWPXFAWWMKVDE-TWDLTGNASA-N", "SMILES:C=C1C(=O)OC2C[C@@]3(C)CCC=C(COC(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)C3=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDIVCFTWRUSPU-SHEKFCCPSA-N", "SMILES:C=C1C(=O)OC2C[C@@]3(C)CCC=C(COC(=O)CCNC(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)C3=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWVOLGLSLLIKP-HDRCEPDYSA-N", "SMILES:C=C1C(=O)OC2C[C@@]3(C)CCC=C(COC(=O)CCN(C)C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)C3=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSJCSKGJXSCVOK-DALFMPALSA-N", "SMILES:C=C1C(=O)OC2C[C@@]3(C)CCC=C(COC(=O)COCCOCCNC(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)C3=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXDBXDJUCWCPPK-IROMEWDXSA-N", "SMILES:C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CN4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPVDEYEWFMRAG-QKLXZVGWSA-N", "SMILES:C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CNCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEDNLNJDSWXPFY-KJWDQOKMSA-N", "SMILES:C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CNCCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMRTUNMPWICIJZ-IHIAKBFJSA-N", "SMILES:C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CNCCCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKZRPWEFVVUIK-BGVLZMLFSA-N", "SMILES:C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CNCCCCCCCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLPOCHCCDQQVAW-KJWDQOKMSA-N", "SMILES:C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CN(C)CC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTELQLKFQHNTDW-IHIAKBFJSA-N", "SMILES:C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CN(C)CCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAFRCWZJRDTPO-QHJHHLAQSA-N", "SMILES:C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CN(C)CCCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTWFIKLRXYTIAV-QKLXZVGWSA-N", "SMILES:C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CNOCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXDQTAACPKWJY-BGVLZMLFSA-N", "SMILES:C[C@H]1CCC[C@]2(C)CC3OC(=O)C(CNCCOCCOCCOCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)C3C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CACQFFWWQAWTOE-ZDRANEGGSA-N", "SMILES:C[C@]12CCC=C(CO)C1=CC1C(C2)OC(=O)C1CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBHQMWJBOCEEM-ICJUCTAASA-N", "SMILES:C[C@]12CCC=C(CO)C1=CC1C(C2)OC(=O)C1CNCCOCCOCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXBGPGYCQVUIJ-ICJUCTAASA-N", "SMILES:C[C@]12CCC=C(C=O)C1=CC1C(C2)OC(=O)C1CNCCOCCOCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMNNXVUSJVXEKP-QGVSNHLOSA-N", "SMILES:C[C@]12CCC=C(CO)C1=CC1C(C2)OC(=O)C1CNCCCCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHECBCWIVGBBEG-OKCWMKPZSA-N", "SMILES:COC1=CC(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)/C1=C(O)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"name": "Receptor-interacting serine/threonine-protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL4296021"], "id": "UniProtKB:P58801", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LADHVPDZLWOPJP-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCC(c5ccccc5)CC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJMCYVQDQFFFDK-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]nc(C(=O)N4CCC(c5ccccc5)CC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSFNWHDTQTUWGT-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4cccc(C#N)c4)cc3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRPWXHDUSTTBB-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4cc(F)cc(C#N)c4)cc3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSIGOVKCQFVLPU-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4ccc(C#N)cc4)cc3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTYNWVTQSTGQF-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4cccc(C#N)c4)c(F)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLSMPCSGDZSNAG-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4cccc(F)c4)c(F)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXMKYLXAFZKNZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(Oc3c(C(F)(F)F)ccn(Cc4n[nH]c(=O)n4C)c3=O)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POSXYKPTWLVFLI-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4ccc(F)c(C#N)c4)c(F)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIDSHPEQVNADV-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4cc(F)cc(C#N)c4)c(F)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGMWWQTPFHAEV-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4ccc(C#N)cc4)c(F)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNVNYMCYVBZUMX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ccc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c(=O)n3C)c2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTVVJVDBXVBZIQ-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4cccc(C#N)c4)c(F)c3F)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBVNTAGVSTGSU-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c(=O)n3C)c2=O)ccc1-c1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWLVXHXXLUJHW-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c(=O)n3C)c2=O)ccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXMYLTYRXWQBS-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(Oc3c(C(F)(F)F)ccn(Cc4n[nH]c(=O)n4C)c3=O)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOXOSXWOPPRWEW-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c(=O)n3C)c2=O)ccc1-c1ccc(F)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXLTBVOTGVTPN-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c(=O)n3C)c2=O)ccc1-c1cc(F)cc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWXICLDSZPABZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c(=O)n3C)c2=O)ccc1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDCBWZAARFDCJZ-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4cccc(C#N)c4)cc3F)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDHDUZFCGBITR-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4ccc(F)c(C#N)c4)cc3F)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXBKOZJIXWIAO-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4cc(F)cc(C#N)c4)cc3F)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOPQUAUKFMQYLR-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4ccc(C#N)cc4)cc3F)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMXFKVUUVQABSA-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4cccc(C#N)c4)cc3Cl)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBFOPZRQKLZFY-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4ccc(F)c(C#N)c4)cc3Cl)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSPBQHOUFCEVCQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(C#N)c2)ccc1Oc1c(C(F)(F)F)ccn(Cc2n[nH]c(=O)n2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWUZGZMAXACSY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(F)c2)ccc1Oc1c(C(F)(F)F)ccn(Cc2n[nH]c(=O)n2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHMIXCGXWQLJP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(F)c(C#N)c2)ccc1Oc1c(C(F)(F)F)ccn(Cc2n[nH]c(=O)n2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVZFCTSHGGGVCZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(F)cc(C#N)c2)ccc1Oc1c(C(F)(F)F)ccn(Cc2n[nH]c(=O)n2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUWIXWOCNMPBO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)ccc1Oc1c(C(F)(F)F)ccn(Cc2n[nH]c(=O)n2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKQGFTHZOBDJEM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(F)cc2)ccc1Oc1c(C(F)(F)F)ccn(Cc2n[nH]c(=O)n2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPZLWTXGIFNOO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(C#N)c2)ccc1Oc1c(C(F)(F)F)ccn(Cc2n[nH]c(=O)n2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKORUMBBCYBDG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(F)c(C#N)c2)ccc1Oc1c(C(F)(F)F)ccn(Cc2n[nH]c(=O)n2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXRKUJTEMXATE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(F)cc(C#N)c2)ccc1Oc1c(C(F)(F)F)ccn(Cc2n[nH]c(=O)n2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYINOONKBBPKO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(C#N)cc2)ccc1Oc1c(C(F)(F)F)ccn(Cc2n[nH]c(=O)n2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXNWVBXHJQNLAX-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3c(F)cc(-c4cccc(C#N)c4)cc3F)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZSIUORPQRRYHO-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3c(F)cc(-c4cccc(F)c4)cc3F)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSYHEIIYLKSJS-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3c(F)cc(-c4ccc(F)c(C#N)c4)cc3F)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBPRNFBYWFTTK-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3c(F)cc(-c4cc(F)cc(C#N)c4)cc3F)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTMPKHKCMJNVHW-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3c(F)cc(-c4ccc(C#N)cc4)cc3F)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONDMDXBVBJABH-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(C#N)cc(-c4cccc(C#N)c4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQRHKPJSOQSOH-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(C#N)cc(-c4cccc(F)c4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXDFOKNYPFMIS-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(C#N)cc(Oc3c(C(F)(F)F)ccn(Cc4n[nH]c(=O)n4C)c3=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXCGDUAPNYPIN-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(C#N)cc(-c4ccc(F)c(C#N)c4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVYVRNOXWLUNY-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(C#N)cc(-c4cc(F)cc(C#N)c4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVYTVORXVXXNT-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(C#N)cc(-c4ccc(C#N)cc4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHBNDXDPYSNWPS-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(C#N)cc(-c4ccc(F)cc4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQUHNJCHJGDHQN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C#N)cc(Oc3c(C(F)(F)F)ccn(Cc4n[nH]c(=O)n4C)c3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBINXKCSNAPGX-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4cc(F)cc(C#N)c4)cc3Cl)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJGBUBWKDGGJR-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3ccc(-c4ccc(C#N)cc4)cc3Cl)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXOKFICRLZQNX-JXMROGBWSA-N", "SMILES:COc1ccc(N(C)c2cc(C#N)nc3ccccc23)cc1/C=C/C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDYZZJZYCUHGLX-DHZHZOJOSA-N", "SMILES:COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1/C=C/C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPHEUCEVKWVAC-VQHVLOKHSA-N", "SMILES:C=C(c1ccc(OC)c(/C=C/C(=O)NO)c1)c1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JABMGIWPHDQZBN-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1[nH]cnc1-c1nc2ccccc2[nH]1"]}
{"name": "Nibrin", "xref": ["CHEMBL.TARGET:CHEMBL5169101"], "id": "UniProtKB:O60934", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Structural maintenance of chromosomes protein 1A", "xref": ["CHEMBL.TARGET:CHEMBL4105747"], "id": "UniProtKB:Q14683", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCIMSHBSPOUWPR-HHBXBFRZSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)OCCOC(=O)CCC(=O)OCc3cn(C)c4c3C(=O)C(OC)=CC4=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJVSXOHZZEEAH-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)NC1Cc2ccccc2C1)c1ccc(Cl)cc1)NCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYAXDMJQDRLURS-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)CC(CC(=O)NC1Cc2ccccc2C1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKLUKXXCBGOUIL-UHFFFAOYSA-N", "SMILES:CCNCCNC(=O)CC(CC(=O)NC1Cc2ccccc2C1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNAKBEZDCORQHS-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)NC1Cc2ccccc2C1)c1ccc(Cl)cc1)NCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWXMJZPBVUSHNC-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)NC1Cc2ccccc2C1)c1ccccc1)NCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGBPMFPEZHKVNQ-UHFFFAOYSA-N", "SMILES:O=C(CC(CC(=O)NC1Cc2ccccc2C1)c1ccccc1)NCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVNJTYNOBDFXSZ-UHFFFAOYSA-N", "SMILES:CCNCCNC(=O)CC(CC(=O)NC1Cc2ccccc2C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIFWMQQYSSLOC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)CC(CC(=O)NC1Cc2ccccc2C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGJNVHUDZHEIPV-UHFFFAOYSA-N", "SMILES:CCN(C(=O)CC(CC(=O)NCCN1CCCCC1)c1ccc(Cl)cc1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZLCDCIVPHFRJV-UHFFFAOYSA-N", "SMILES:CCN(C(=O)CC(CC(=O)NCCN1CCCC1)c1ccc(Cl)cc1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAZZMYMLMHOJQE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(CC(=O)NCCN2CCCCC2)CC(=O)NC2Cc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWUBPHCJBBPPJB-UHFFFAOYSA-N", "SMILES:CN(C(=O)CC(CC(=O)NCCN1CCCC1)c1ccccc1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WONYRGSEGSCFBO-UHFFFAOYSA-N", "SMILES:CN(C(=O)CC(CC(=O)NCCN1CCCC1)c1ccc(Cl)cc1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASIJYXOXQIINFF-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)CC(CC(=O)N(C)C1Cc2ccccc2C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXCQWGMNAYVIQM-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)CC(CC(=O)NC1Cc2ccccc2C1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZNGTNWTHTKOF-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)CC(CC(=O)N(CC)C1Cc2ccccc2C1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYKXZLSJHPXQOT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)CC(CC(=O)N(C)C1Cc2ccccc2C1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXXLNEHWUXTKCM-UHFFFAOYSA-N", "SMILES:CCNCCNC(=O)CC(CC(=O)N(CC)C1Cc2ccccc2C1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQAZJPTQKQPCL-UHFFFAOYSA-N", "SMILES:CCNCCNC(=O)CC(CC(=O)N(CC)C1Cc2ccccc2C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENPCGGWUGKNMP-UHFFFAOYSA-N", "SMILES:CCN(C(=O)CC(CC(=O)NCCN1CCCC1)c1ccccc1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWGRRDZWNSOEA-UHFFFAOYSA-N", "SMILES:CCN(C(=O)CC(CC(=O)NCCN1CCCCC1)c1ccccc1)C1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBZQFUNLCALWDY-PNHWDRBUSA-N", "SMILES:Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5191141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPMJBXPNZMNQD-WHCYFCLHSA-N", "SMILES:[2H]c1c([2H])c([2H])c([C@@H]2C[C@@H](N3CCN(C([2H])([2H])[2H])C(C)(C)C3)c3cc(Cl)ccc32)c([2H])c1[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBCSWIXKXHSYBN-LSQWYULJSA-N", "SMILES:[2H]c1c([2H])c([2H])c([C@@H]2C[C@@H](N3CCNC(C)(C)C3)c3cc(Cl)ccc32)c([2H])c1[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUYKHRHYCJESLX-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccn4ncnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(CC)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLNDQNMJQAFLDQ-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccn4ncnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXLLALWXCFPNHL-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4ncnn4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CC(COC)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCYQDTKMLMBXIY-UHFFFAOYSA-N", "SMILES:CCOC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6ncnn6c5P(C)(C)=O)n4)cc3CC)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOHDCELDUOPRKU-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3P(C)(C)=O)OCO4)n2)c(OC)cc1N1CCC(N2CC(N(C)C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDJPUKBXFAGOG-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CC(N(C)C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDDSIYYEHDUAV-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQRDFGLNAOZTSA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CC(N(C)C)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMFPCFLSCIWUQO-UHFFFAOYSA-N", "SMILES:CCOC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6nccnc6c5P(C)(C)=O)n4)cc3C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVLFSSZNAIKYCD-UHFFFAOYSA-N", "SMILES:COCC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6c(c5P(C)(C)=O)OCCO6)n4)cc3C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFRPHAMKKKEOMZ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CC(N(C)C)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3c(c2P(C)(C)=O)OCCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMWUVEWQONIXQF-UHFFFAOYSA-N", "SMILES:CCOC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6c(c5P(C)(C)=O)OCCO6)n4)cc3C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBHWSOJNQJWVFM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3c(c2P(C)(C)=O)OCCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQNXQAVZPFPPE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCCOCC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3c(c2P(C)(C)=O)OCCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCVBLVARKIADQN-HSZRJFAPSA-N", "SMILES:CCO[C@@H]1CCN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6c(c5P(C)(C)=O)OCCO6)n4)cc3C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTHAAZWDGBTJIN-QHCPKHFHSA-N", "SMILES:COc1cc(N2CCC(N3CC[C@H](N(C)C)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3c(c2P(C)(C)=O)OCCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USQUWNWHXKEUFO-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3P(C)(C)=O)OCCO4)n2)c(OC)cc1N1CCC(N2CC(N(C)C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHLMQOCQLLXCPJ-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3P(C)(C)=O)OCCO4)n2)c(OC)cc1N1CCC(N2CC(CC#N)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UONDVVKSMJBXOP-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3P(C)(C)=O)OCCO4)n2)c(OC)cc1N1CCC(N2CC(COC)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJXGJHSKZFSRB-UHFFFAOYSA-N", "SMILES:CCN(C)C1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6c(c5P(C)(C)=O)OCCO6)n4)cc3C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMJAVWRNQEMKZ-STZQEDGTSA-N", "SMILES:CCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1"]}
{"name": "Cytochrome P450 2D1", "xref": ["CHEMBL.TARGET:CHEMBL2475"], "id": "UniProtKB:P10633", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTANRUFOCYNLP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cn(-c3ccc(C4CCCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCLLGDACURYDE-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N(C)Cc2ccc(C(=O)NO)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLCXDZMASQQXBW-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPSRCVPTFZHINR-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc(Cl)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFGXIYGANOBZCW-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc(Cl)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JETWSCYERNYRJF-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc(Cl)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXXUJIMVCLZDDR-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc(C(C)C)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTBVFJIRCRCHZ-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc(C(C)C)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKSMNNKTNAHKA-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc(C(C)C)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPONZJPUPHUQE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXLFSKFCTLKMBJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N(C)Cc2ccc(C(=O)O)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYGANQZOGPUYJF-UHFFFAOYSA-N", "SMILES:Oc1ccc2cc(C(c3ccc(Cl)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSXLAQTZVKYHU-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(c3ccc(Cl)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMPROVDWRGYYRE-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc2cc(C(c3ccc(Cl)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSKQUAVZGEZOT-UHFFFAOYSA-N", "SMILES:Oc1ccc2oc(C(c3ccc(Cl)cc3)n3cncn3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAIPYXHIWCOBQR-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(C(c3ccc(Cl)cc3)n3cncn3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPVWNWWPDBWOAB-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc2oc(C(c3ccc(Cl)cc3)n3cncn3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQMCKUOOASJZKQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(c2cc3cc(Cl)ccc3o2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHKSWDKEBBQSG-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(C(c3ccc(Cl)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKLTDQQIVMQHB-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc2cc(C(c3ccc(Cl)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTKTVOYJMRILO-UHFFFAOYSA-N", "SMILES:CC#CCOc1ccc2cc(C(c3ccc(Cl)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYVFWLVOCMHQJ-UHFFFAOYSA-N", "SMILES:Oc1ccc2cc(C(c3ccc(F)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL198291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIGKCDATUYCETC-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(c3ccc(F)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBSSJHHQANJSAJ-UHFFFAOYSA-N", "SMILES:CC#CCOc1ccc2cc(C(c3ccc(F)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBJZHEYYTQHDEG-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc2cc(C(c3ccc(F)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSMNDKZZWPLBT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(c2cc3ccc(O)cc3o2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMZMMJSVSGYOU-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(c3ccc(C#N)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZRCOBTYSEEQW-UHFFFAOYSA-N", "SMILES:CC#CCOc1ccc2cc(C(c3ccc(C#N)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPEJCSUYWBPALH-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc2cc(C(c3ccc(C#N)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZGAHAQWKVTWEF-RAPVPNNWSA-N", "SMILES:CCC#CCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEEDOEWKYCESCS-UHFFFAOYSA-N", "SMILES:CCC#CCOc1cc(Cn2ccnc2)c2oc3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNDPSUZZFIZSR-UHFFFAOYSA-N", "SMILES:CCC#CCOc1cc(Cn2ccnc2)c2c(=O)c3ccccc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQXMRCJLBFYIDH-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc2c(=O)c3ccc(Cn4ccnc4)cc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBSEBKNUZAPNT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVGXOKWCDIKZOF-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL96745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXDNLOYHAJESK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2ccc3ccc(Br)cc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECOEBMXUCFJPY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C)c3cc(F)ccc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMGNZUXURGVSP-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOAOBXLWOLIEQK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)ccc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOUHPCKNNCZCKJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C)c3ccc(F)cc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XACBCOMHVYXIRY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C)c3ccc(Cl)cc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBXXYAFTDZJBQ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C)c3ccc(Br)cc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQJXPZAUYHFOF-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(F)ccc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGVSDGHNOTTRV-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(Cl)ccc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPOGBVDYAMBEKC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(Br)ccc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVURPAJUKWGEBE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(F)cc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLJDTPHSRUGUPY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(Cl)cc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTIZPNXHBYIGNT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(Br)cc32)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHUGNQZKJGFHW-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)c2sc3cc(Cl)ccc3c2C)ccc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPGSJXNDFFMTJ-VQVMIVEFSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccc([C@]2(C)O[C@H]3CO[C@@H]4N3[C@H]2O[C@@]4(C)c2cccc(NC(=O)OC(C)(C)C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVRKAFDLIHFNFY-KMACTHOASA-N", "SMILES:C[C@@]1(c2cccc(NC(=O)c3ccccc3)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@@]3(C)c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVRKAFDLIHFNFY-HVRVSHBKSA-N", "SMILES:C[C@]1(c2cccc(NC(=O)c3ccccc3)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENNQVRJCWPIOY-VYKSXFOXSA-N", "SMILES:COc1ccccc1C(=O)Nc1cccc([C@]2(C)O[C@@H]3N4[C@H](CO[C@H]42)O[C@@]3(C)c2cccc(NC(=O)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZATPHLNBHNFW-VYKSXFOXSA-N", "SMILES:COc1cccc(C(=O)Nc2cccc([C@]3(C)O[C@@H]4N5[C@H](CO[C@H]53)O[C@@]4(C)c3cccc(NC(=O)c4ccccc4)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJBXBJHGHOTWGH-SIJDRCJTSA-N", "SMILES:COc1cccc(C(=O)Nc2cccc([C@@]3(C)O[C@H]4CO[C@@H]5N4[C@H]3O[C@]5(C)c3cccc(NC(=O)c4ccccc4OC)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCRJEMJYJAJRBB-SIJDRCJTSA-N", "SMILES:COc1cccc(C(=O)Nc2cccc([C@@]3(C)O[C@H]4CO[C@@H]5N4[C@H]3O[C@]5(C)c3cccc(NC(=O)c4cccc(OC)c4)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIISIGHKHRJRNN-PAVKKKSZSA-N", "SMILES:CN(C)c1ccccc1C(=O)Nc1cccc([C@@]2(C)O[C@H]3CO[C@@H]4N3[C@H]2O[C@]4(C)c2cccc(NC(=O)c3ccccc3N(C)C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGLXQYSUNAPXDT-PAVKKKSZSA-N", "SMILES:CN(C)c1cccc(C(=O)Nc2cccc([C@@]3(C)O[C@H]4CO[C@@H]5N4[C@H]3O[C@]5(C)c3cccc(NC(=O)c4cccc(N(C)C)c4)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADACZQFMOTWXLI-PAVKKKSZSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2cccc([C@@]3(C)O[C@H]4CO[C@@H]5N4[C@H]3O[C@]5(C)c3cccc(NC(=O)c4ccc(N(C)C)cc4)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOBFJAGHGMUMY-LJEIBCANSA-N", "SMILES:C[C@@]1(c2cccc(NC(=O)c3ccccn3)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@@]3(C)c1cccc(NC(=O)c2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCTCPNHMOPKFIC-LJEIBCANSA-N", "SMILES:C[C@@]1(c2cccc(NC(=O)c3cccnc3)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@@]3(C)c1cccc(NC(=O)c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOBFJAGHGMUMY-NBUBIBOFSA-N", "SMILES:C[C@]1(c2cccc(NC(=O)c3ccccn3)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1cccc(NC(=O)c2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCTCPNHMOPKFIC-NBUBIBOFSA-N", "SMILES:C[C@]1(c2cccc(NC(=O)c3cccnc3)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1cccc(NC(=O)c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELBLERTZGHUSW-NBUBIBOFSA-N", "SMILES:C[C@]1(c2cccc(NC(=O)c3ccncc3)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1cccc(NC(=O)c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFZLJAZLPOVTE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(C3(C)OC4COC5N4C3OC5(C)c3cccc(NC(=O)c4ccc(OC)cc4)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFZLJAZLPOVTE-VNCSWJDHSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc([C@@]3(C)O[C@@H]4CO[C@H]5N4[C@@H]3O[C@]5(C)c3cccc(NC(=O)c4ccc(OC)cc4)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFZLJAZLPOVTE-WMUVQLMLSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc([C@]3(C)O[C@H]4CO[C@@H]5N4[C@H]3O[C@@]5(C)c3cccc(NC(=O)c4ccc(OC)cc4)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFZLJAZLPOVTE-FEIGQPKUSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc([C@]3(C)O[C@@H]4CO[C@H]5N4[C@@H]3O[C@@]5(C)c3cccc(NC(=O)c4ccc(OC)cc4)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFZLJAZLPOVTE-SIJDRCJTSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc([C@@]3(C)O[C@H]4CO[C@@H]5N4[C@H]3O[C@]5(C)c3cccc(NC(=O)c4ccc(OC)cc4)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFLTVBXTXMLIM-LSBAASHUSA-N", "SMILES:CN(C)c1cccc([C@]2(C)O[C@H]3CO[C@@H]4N3[C@H]2O[C@@]4(C)c2cccc(N(C)C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDSDDUBGGLTLG-NRQMHRBESA-N", "SMILES:C[C@@]1(c2cccc(NS(=O)(=O)c3ccccc3)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1ccc(NS(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELBLERTZGHUSW-LJEIBCANSA-N", "SMILES:C[C@@]1(c2cccc(NC(=O)c3ccncc3)c2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@@]3(C)c1cccc(NC(=O)c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUQSFBFZRKOOX-KOUJMVCDSA-N", "SMILES:CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHMGCCSDDIDVLY-QQPKDZIPSA-N", "SMILES:CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(N)=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVGZALICBDNOH-HLNPNVFCSA-N", "SMILES:CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCFZTYMNYHLOJ-YVPXXBPTSA-N", "SMILES:CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCC1CC1)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBRWOPZWNUZRH-PUFBLQPOSA-N", "SMILES:CCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCQZBSSSLAPTK-YVPXXBPTSA-N", "SMILES:CCCCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSBNQSWJQGVJAD-SQHJXKMMSA-N", "SMILES:CCCCCCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJPUBJFSKWSUAL-LQCCLCBXSA-N", "SMILES:CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCc1ccccc1)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZMLTHPXYFURIW-XLAORIBOSA-N", "SMILES:CC(C)(C)NC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHXMVFLANNBLT-XLAORIBOSA-N", "SMILES:CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCBBFALKQONMK-XLAORIBOSA-N", "SMILES:CC(C)(C)NC(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSRZGWFJYPUNG-RZCQQDKOSA-N", "SMILES:CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJHSMQIHXBJEEW-VVWMOPMMSA-N", "SMILES:CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(N)=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKUKUFCYAVZWHM-RZCQQDKOSA-N", "SMILES:CC(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOXUIMVWSZAIA-KOUJMVCDSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHVPCDBFSBZMM-RCTKEMKKSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCQPCDXJPVNAD-PMAMDCHESA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYKABYZZJOKNL-AIVCMVMSSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXKXQGLHLVAFBV-RZCQQDKOSA-N", "SMILES:CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBSRABGMMNOIZ-GOSISDBHSA-N", "SMILES:C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASTHGGSHYYCYEL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nnnc2SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKPPECAMJDRQNC-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c2c(N3CCOCC3)nc(Cl)nc21)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPAJJLRYLWOSZ-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c2c(N3CCOCC3)nc(Cl)nc21)Nc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEHCJXXXQGBSHB-RWPZCVJISA-N", "SMILES:Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULOOZIZLBNRNAM-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c2c(N3CCOCC3)nc(Cl)nc21)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEGXYQLDVWSIOY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccn(C(Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OCC4CC4)c3)n2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYAWKKGMWPGMOB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)F)cc3)n2)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHRRVGZBEGCGDS-NJNXFGOHSA-N", "SMILES:O=C(NOC1CCCCO1)c1ccc(/C=C(\\CNC2CCCCC2)COc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNWSABIUCCXNY-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCGVFZGCFVHRD-UHFFFAOYSA-N", "SMILES:CCCCc1nc2cc(-c3ccccc3)c(C=O)nc2n1CCCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSCAJOENTXFBE-XHPQRKPJSA-N", "SMILES:O=C(NO)c1ccc(/C=C(/CNC2CCN(Cc3ccccc3)C2)COc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZAGALBJGOBJN-OYKKKHCWSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(N(CC)CC)cc3OC)c(=O)n2C1c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYYKYHFODSMQI-KGENOOAVSA-N", "SMILES:CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUIZPZRGJFFIQB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(COc2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHVBMYVHVSEJH-OAHLLOKOSA-N", "SMILES:OCCN(CCO)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMKDCIGAAMXLK-WXVAWEFUSA-N", "SMILES:CCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLUARZXTCHTGG-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Oc1ccc2c(c1)CNC(C(C)C)C(=O)N2CCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSGCXWQMHMOKK-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCOC(Cc2c(-c3c(C)cc(C(=O)NC)cc3C)nc3cc(C)ccn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHJIZLMOCIYWJF-HNNXBMFYSA-N", "SMILES:CNC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2C[C@@H]2CCCN(C(=O)OC)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095224", "category": ["biolink:ChemicalEntity"], "name": "ELIAPIXANT", "xref": ["InChIKey:GTQPEQGDLVSFJO-CXAGYDPISA-N", "SMILES:Cc1cnc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1"], "synonym": ["Eliapixant", "BAY 1817080", "BAY-1817080", "BAY1817080", "Eliapixant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGPYPXWPRCPIKD-UFWIKHIGSA-N", "SMILES:C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)/C=C/c2ccc(N(C)C)cc2)/C=C/C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMSWPDDAFOWTAT-QZQOTICOSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(F)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODLOHKIUGOPNNF-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(-c2cc(-c3ccc(O)c(C(=O)O)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQRLIKEMUPGKV-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(-c2cn(-c3ccc(O)c(C(=O)O)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOQSJCSYHLIDK-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(-c2cc(-c3ccc(O)c(C(=O)O)c3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPROVOMVRBWTCJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWGWDHBZHIWHJ-QZQOTICOSA-N", "SMILES:NC(=O)c1cc(/N=N/c2ccc(C(=O)NCCC(=O)O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJRRPERYCXAMEJ-FMQUCBEESA-N", "SMILES:O=C(NCCc1nnn[nH]1)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKAYUZZAMZYMC-XMXXDQCKSA-M", "SMILES:NCCNC(=O)c1cc(/N=N/c2ccc(C(=O)NCCC(=O)[O-])cc2)ccc1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMHMAHPIBKQLY-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECFLAIKLDGRCL-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(-c2noc(-c3ccc(O)c(C(=O)O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZSSGLYCYUNED-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc2c(c1)CCN(c1ccc(O)c(C(=O)O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYJMKAJMYIJWSW-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(CNc2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZCOKKOQWFNPAR-UHFFFAOYSA-N", "SMILES:Cl.O=C(O)CCNC(=O)c1ccc(NCc2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCKJYTBIDPIBPQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(COc2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSAWWSZUJHWQIT-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQZKNSVJQYFPK-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(NC(=O)c2ccc(O)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZCZIWDYCOPDAL-UHFFFAOYSA-N", "SMILES:CN(c1ccc(C(=O)NCCC(=O)O)cc1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPFHMBQSXMBDAB-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)c1ccc(C#Cc2ccc(O)c(C(=O)O)c2)cc1"]}
{"name": "Nucleoside diphosphate kinase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4488"], "id": "UniProtKB:O00746", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutaryl-CoA dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3817721"], "id": "UniProtKB:Q92947", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSXCOJDFYVRBV-FMIVXFBMSA-N", "SMILES:O=C(/C=C/c1ccc(CNc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEUNHAVYMJWHSU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3cc(C)nc4noc(N)c34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGGXHXCKFGYPP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c2c(N)onc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOLIAKRUDBRHR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cc(C)nc4noc(N)c34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMMSWAVBHIDEJK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cc(C)nc4noc(N)c34)cc2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTULTLKBWLLMHQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3cc(C)nc4noc(N)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFMKKLSPZAETL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CC(=O)Nc2ccc(-c3cc(C)nc4noc(N)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIKQSIMLJLSGLU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(NC(=O)Nc2ccc(-c3cc(C)nc4noc(N)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFROOFZYKCPBEL-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTODPUBLZHNPT-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Nc2ccc3c(c2)B(O)OC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHUDHIUTQRFWGW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYSIIFSLAYZHCY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(NCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAOZUINXYWQWRJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)B(O)OC3)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAVJYVVZIJTAHT-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYVRWWCUPYAFTR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(OCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKBPHYZHFUQTD-UHFFFAOYSA-N", "SMILES:Cc1cccc(COc2cccc(C(=O)Nc3ccc4c(c3)B(O)OC4)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODCPOBUKHMASE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1ccccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBTWLUWDUBDCRK-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2cccc(C(=O)Nc3ccc4c(c3)B(O)OC4)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRJPUHDVYUXPIH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(COc2cccc(C(=O)Nc3ccc4c(c3)B(O)OC4)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNKXESCXNRMLN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(OCc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQDKMTBBGDKJGI-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOZBGJDNPDODL-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc3c(c2)B(O)OC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFTFQMVMEFJZFR-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2c(c1)B(O)OC2)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMJWEGBQCHSGF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIGMKDRMAMJVPX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYNUWUQUFFYKJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSAPXSVIUBZDOQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRASWWYHMGCYRQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1ccc(OCc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIXWFPLMOOFTMA-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc2c(c1)B(O)OC2)c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNNBCPUVFMKPF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JELFHMNDZWDROS-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRIDDIQVJKNUMX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(B(O)O)c1)c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLGDMYWBWLWNZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(B(O)O)cc1)c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUIINUJREDBKAK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(OCc2c(Cl)cccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYMZSYOPXHKMOA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRFWJVFKLLXHC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNc2ccc3c(c2)B(O)OC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSZDDGRASVGCMJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2[nH]c3ncnc(-c4ccccc4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWZGSUWIJGCMQ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZJIFYMUDPMWAG-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWXVIWADWPZSNR-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OCC(O)CO)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSAIARSTQBDRKY-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccncc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQICCUMZJDLRSD-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWEJVYFFPBXKMV-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(S(=O)(=O)NCC(O)CO)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDPKLEDOEQEAHA-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3[nH]c4ncc(-c5ccc(C(=O)NCC(O)CO)cc5)cc4c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256289", "category": ["biolink:ChemicalEntity"], "name": "SODIUM OXAMATE", "xref": ["InChIKey:RQVZIJIQDCGIKI-UHFFFAOYSA-M", "SMILES:NC(=O)C(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYIQDCNUYJYRJ-UHFFFAOYSA-N", "SMILES:O=c1cc2c(nn1CC1CCN(C3=NS(=O)(=O)c4ccccc43)CC1)CCC2"]}
{"name": "L-lactate dehydrogenase B chain", "xref": ["CHEMBL.TARGET:CHEMBL5169119"], "id": "UniProtKB:P16125", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXHISTVMLJLECY-UHFFFAOYSA-N", "SMILES:O=c1cc2c(=O)oc3cc(O)c(O)oc3c2c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRNOJVEJDDFMM-OKQIABBQSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGRFPNFAUQSEC-FPVRZSRMSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)CCCCC(=O)NCCSCCCO[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c3ccc(-c4ccccc4)cc3)O2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMCXTAXWOBGKN-GMPVQRATSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZJONZJBQHRUPO-OKQIABBQSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(C3CCCCC3)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(C5CCCCC5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQMHMGCGDOHDAQ-ICWZBPETSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5cccs5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNNWUFLCKOXQH-WBAFFACMSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccsc3)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccsc5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHJNNMBDQINJG-DVLFULGSSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3cccs3)s2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5cccs5)s4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWTWUDNQOTYVPY-OKQIABBQSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3Cl)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5Cl)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMEYJBWGHNSAAP-KJSNUYNSSA-J", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](NS(=O)(=O)[O-])[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGVKHBLQSZHFU-FKTQTVOXSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCC[S+]([O-])CCNC(=O)c2ccc(C(=O)NCC[S+]([O-])CCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVBWYTCRMDAGDB-OKQIABBQSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCc2cn(CCNC(=O)c3ccc(C(=O)NCCn4cc(CO[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c6ccc(-c7ccccc7)cc6)O5)nn4)cc3)nn2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDYYUZXSYHPXBN-BFLPWBQISA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCOCCOCCOCCOCCNC(=O)c2ccc(C(=O)NCCOCCOCCOCCOCCOCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYXGIKFGIRENI-PJXSCNBCSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNCc2ccc(CNCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHWEJGBCQKEEK-DUDVEJIISA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCC(=O)Nc2ccc(NC(=O)CCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUVAYLONLNXMTR-OKQIABBQSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)c(Br)c2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWIGOTPUYMEGJF-OKQIABBQSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)c2cccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)c2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTCHPOUZKIBZBJ-SVCIEFFQSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(-c3ccc(C(=O)NCCSCCCO[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c5ccc(-c6ccccc6)cc5)O4)cc3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECCYAPOSXRJGB-OYSOQTKKSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)c(OCCOCCOCCOCCOCCOCCN)c2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHQONQKUWJGYIC-AEVBLGDQSA-J", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](NS(=O)(=O)[O-])[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)c(OCCOCCOCCOCCOCCOCCN)c2)(C(=O)[O-])C[C@@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJAYZVKIUHTXOJ-BZUHYQSSSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(-c5ccccc5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHJZTYZXNJXAO-OKQIABBQSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)c2ccc(C(=O)NCCSCCCO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(C5CCCCC5)cc4)O3)cc2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSQZUAGPUAUFN-BZFYTOTASA-M", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@@](OCCCSCCNC(=O)c2ccccc2)(C(=O)[O-])C[C@@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUGQIQRWIPXVNF-MFCLGRDDSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)O[C@](C(=O)[O-])(n2cc(CCCCNC(=O)c3ccc(C(=O)NCCCCc4cn([C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c6ccc(-c7ccccc7)cc6)O5)nn4)cc3)nn2)C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOWCUCXGYVJUHU-UHFFFAOYSA-N", "SMILES:O=C(NC1CN(Cc2cnn(Cc3ccc(Cl)cc3)c2)C1)c1cn(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVKMHGESLELKH-UHFFFAOYSA-N", "SMILES:O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAOPGXPEHQTEFO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(S(=O)(=O)CCNC(=O)CC45CC6CC(CC(C6)C4)C5)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGVXLNIQWKWBGW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(S(=O)(=O)CCNC(=O)NC45CC6CC(CC(C6)C4)C5)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPRIWHDFWDSJRZ-YFNKSVMNSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCS(=O)(=O)N1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPEJQSJLFWHFSH-AREMUKBSSA-N", "SMILES:CC(C)(C)OC(=O)NC(=NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXRGSAFJHMCQW-DMTNHVFBSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCOCCS(=O)(=O)N1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOUQEGFOQWIVLV-YFNKSVMNSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCN1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQGUGUZVPIOBL-DMTNHVFBSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCCCN1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBYDVADYPHHMSY-FPNNDXFKSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCN(CCS(=O)(=O)N2CCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXDZOYLPNAIDOC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC(=O)NCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUCPHGSAFOJAU-TWRBBEJXSA-N", "SMILES:NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1)CP(=O)(O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVQMCGGWATESY-FCHUYYIVSA-N", "SMILES:NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHGLPDURIUEELR-UHFFFAOYSA-N", "SMILES:CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSMXPGSVWPWCG-AQNXPRMDSA-N", "SMILES:CNC(=O)[C@@H](CC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUDGBCTJVXBCM-KRWDZBQOSA-N", "SMILES:CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHRDWHFKKUYAX-RGBJRUIASA-N", "SMILES:C=CC[C@H](C(=O)NO)C(CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSTVUAZFACDLH-GOSISDBHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXSRFUZSLTDFX-ARFHVFGLSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2107228", "category": ["biolink:ChemicalEntity"], "name": "SOLIMASTAT", "xref": ["InChIKey:WORSVFBVUCBRIP-VNQPRFMTSA-N", "SMILES:CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C"], "synonym": ["Solimastat", "BB-3644"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFUITADOEPNRML-IRXDYDNUSA-N", "SMILES:CN1C(=O)N(C[C@H](C(=O)NO)[C@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBYRXCFAHCMHAA-UHFFFAOYSA-N", "SMILES:O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBHKZKKEGAPOP-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)c1ccc(-c2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRDFDDOMVFUNV-UHFFFAOYSA-N", "SMILES:O=C(O)CS(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL100570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCWXNOSFWYLTA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(CN3C(C(=O)NO)CCS3(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL40143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHFBHZWJNGWRC-INIZCTEOSA-N", "SMILES:CC1(C)NC(=O)N(C[C@@H](COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEXXMLIERNFQB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CO3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL50228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZHVJWSFHBPMB-OKZBNKHCSA-N", "SMILES:CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXHODHUQXSZDN-AABGKKOBSA-N", "SMILES:CNC(=O)[C@@H]1CCCNCCCCO[C@H](C(=O)NO)[C@@H](CCCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXAGDPXECXQWBC-IBGZPJMESA-N", "SMILES:O=C(C[C@@H](CSc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5177819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKVXJRTWUNPBJP-VWLOTQADSA-N", "SMILES:CC(C)ON([C@@H](CCNC(=O)OCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTMLCSYAKDMZTR-UHFFFAOYSA-N", "SMILES:NC(=O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPWKGYKWPYSDL-UHFFFAOYSA-N", "SMILES:CCNC(=O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNSXKATXVIZKSB-UHFFFAOYSA-N", "SMILES:O=C(CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHFBHZWJNGWRC-MRXNPFEDSA-N", "SMILES:CC1(C)NC(=O)N(C[C@H](COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKSDDQPRLWOEC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMPGOJWLISPFK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZMOMFOLNBXHF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMXAXPCBRVZOGA-UHFFFAOYSA-N", "SMILES:O=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(-c4ccc(-c5ccccc5)cc4)nn3)cc2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSGRRNCQDDQBC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTCQKJMDFJEBFM-UHFFFAOYSA-N", "SMILES:O=C(NO)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2cn(-c3ccc(-c4ccccc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWAAHKOPIVFIC-UHFFFAOYSA-N", "SMILES:CC(C)N(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCNCC4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3291011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXPSOYEDIWMFG-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOOXCDZBKQVHQE-UHFFFAOYSA-N", "SMILES:O=C(NCCCCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFWWAUHSADNLDY-UHFFFAOYSA-N", "SMILES:O=C(NCCCCC(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPVLDNDKDIFLCV-UHFFFAOYSA-N", "SMILES:NCCCCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316997", "category": ["biolink:ChemicalEntity"], "name": "(CYCLOPENTYLAMINO)CARBONYLPHOSPHONIC ACID", "xref": ["InChIKey:CYCCYWRSDZSMIF-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97057", "category": ["biolink:ChemicalEntity"], "name": "(DIETHYLAMINO)CARBONYLPHOSPHONIC ACID", "xref": ["InChIKey:DCJBWQGCBUBISK-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHCXISPZIHYKQD-UHFFFAOYSA-N", "SMILES:NC1CCCCC1NC(=O)P(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2170080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXKZRJAIWEVPD-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBFNHNDQZJMJU-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLKISSURPVEJPE-RYUDHWBXSA-N", "SMILES:C=C[C@@H]1OC(Cc2ccccc2)=N[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1199579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVISBJGEPWTLRT-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL95763", "category": ["biolink:ChemicalEntity"], "name": "(CYCLOBUTYLAMINO)CARBONYLPHOSPHONIC ACID", "xref": ["InChIKey:UILNVWQPBYOCJX-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMIAXILIKVOPKK-UHFFFAOYSA-N", "SMILES:O=C(NO)C1c2ccc(O)cc2CCN1S(=O)(=O)c1cc(Cl)ccc1Cl"]}
{"name": "Matrix metalloproteinase-26", "xref": ["CHEMBL.TARGET:CHEMBL4707"], "id": "UniProtKB:Q9NRE1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGICPKKIUBLFER-VQTJNVASSA-N", "SMILES:NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJALRCNJXEVAZ-UHFFFAOYSA-N", "SMILES:CC(C)CC(C(=O)NC(c1noc(Sc2ccccc2)n1)C(C)(C)C)C(O)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDDDAEIHJFNBGK-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c(O)c(C(=O)NCc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSYJYYNUSOPAQ-SNVBAGLBSA-N", "SMILES:C[C@H](C(=O)NCc1ccccc1)N1C(=O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGUNWCNGGGHVCW-SECBINFHSA-N", "SMILES:C[C@H](C(=O)NCc1ccccc1F)N1C(=O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201510", "category": ["biolink:ChemicalEntity"], "name": "FIPRAVIRIMAT", "xref": ["InChIKey:YFSNREBZTKMFEB-DHGHKPCRSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(NCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "synonym": ["Fipravirimat", "Fipravirimat", "Fipravirimat", "Fipravirimat", "GSK-3640254", "GSK-3640254A", "GSK3640254", "GSK3640254A", "Fipravirimat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXWDHIJTXVFHJ-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2ccccc2OCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSIDJCLEDYJCM-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2ccccc2OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKBHHYWALDCAA-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2ccccc2SC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFUHSBKFTPNPCY-UHFFFAOYSA-N", "SMILES:C[S+]([O-])c1ccc(-c2ccccc2OCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSFMMZHDVQVAW-UHFFFAOYSA-N", "SMILES:CCS(=N)(=O)c1ccc(-c2ccccc2OCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCSBOASGFYJGGT-UHFFFAOYSA-N", "SMILES:CS(=N)(=O)c1ccc(-c2ccccc2OCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDUWNDRABVIGLB-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2ccc(OC(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POSCIJROZUJFSU-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2cccc(OC(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNZMYICAIWYVGX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2ccccc2OCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQCNVPVPOZIAEQ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(-c2ccccc2OCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIRAIWFLRPDSQA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccccc2OCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPROUDMBDHWZMU-UHFFFAOYSA-N", "SMILES:CN=S(C)(=O)c1ccc(-c2ccccc2OCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVHIQYGIJSRTAN-XVBNZNTOSA-N", "SMILES:CN(C)CCCNC(=O)c1ccc(/C=C2\\CCn3c2nc2cc(N4CCN(CCCCCCCC(=O)NO)CC4)c(F)cc2c3=O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQFHBBRZXUCHG-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(O)c(F)c4)cc3c2n1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZRXPBXKMRFISU-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(O)cc4)cc3c2n1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXCNPSZXNNMWRU-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(O)c(Cl)c4)cc3c2n1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVOJSZQLURNUJS-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(O)c(C#N)c4)cc3c2n1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUONLPBLWOBDJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3ncc4nc(C)n(C5CCN(C)CC5)c4c3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCNFMIGYCHWHHY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3ncc4nc(C)n(C5CCN(C)CC5)c4c3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVFMICYNFCTGSU-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(O)cc4F)cc3c2n1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOPODVSSIYWYHT-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4ccc(O)cc4Cl)cc3c2n1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZMSYPAXPQEWBM-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(F)c(O)c(F)c4)cc3c2n1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDJZMLRWCHLSGK-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc3c2n1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEESDVDVWGRNFE-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3c2n1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJYWTGKRBKCHI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3ncc4nc(C)n(C5CCN(C)CC5)c4c3c2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGSUWARZOVMST-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3c2n1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEGRGXPXAYBGQ-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3c2n1C1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEGRGXPXAYBGQ-MRXNPFEDSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3c2n1[C@@H]1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEGRGXPXAYBGQ-INIZCTEOSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3c2n1[C@H]1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKVDGHORAFFDCH-IYARVYRRSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3c2n1[C@H]1CC[C@H](N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHUIFOWXDUSGE-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3c2n1C1CCN(CN(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKAYFAFUDUCUJH-WKILWMFISA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3c2n1[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYYJXVQJCSGHTK-CZIWCDLHSA-N", "SMILES:Cc1nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3c2n1[C@H]1CC[C@H](CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDUVSWFUPRTGG-OXOGCWQMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCXANHYYBVTET-FJLKTBADSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKWAAKJKOZNBH-YZXGFTLRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPOZEFXTIZAHE-YZXGFTLRSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFAADNZNCCMJZ-BFHRVAIGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENIABFEGRBVAB-OXOGCWQMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCIQMSLDYBLSJK-OLXGPMJOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDVSLRYKLDACE-OXOGCWQMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMMRTJBOGUWCEQ-HDCKLXEVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZCLBSHELXLOEC-OXOGCWQMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUZNSIOTQRUFS-FJLKTBADSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJIGFAYANZPPE-FJLKTBADSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMXINFGCMNYAM-HDCKLXEVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOTNRKRWIJONOQ-KCOHYBNESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQCURLISPCDJS-LIGGVUPLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZYGKRYWCXSGQB-HHWSKMPFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVKPECIBXICILG-KCOHYBNESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCKMVCHFXQTBIR-YZXGFTLRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUFAOAULIVUIZ-KCOHYBNESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJISDHXQJWDBI-YZXGFTLRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUMNRPNLIQHEKU-PSSZCNAGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)N1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)Cc2ccccc21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBSNSTVLVSWQKN-PVDKAXNUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLIPCIRUJCLOEE-VKNVRLGUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWYEWIGVFGCNX-PTSJDXNDSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJSDLVPUPEHLL-WRAUWQERSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JESVEDAOUMZINK-VYDIVQSQSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPFXLWLMFXKTK-VGKXWBEXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFFPRXEDCKDGF-DCPZBWSHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGJSILAVLVMDR-WRWYXSBISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTRFWSIBLJYXFJ-ROUUACIJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1F)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRYHKPRASFIXKE-OALUTQOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFHRWSWQAFMCCE-HKUYNNGSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHVABHAYZPJUPB-GJZGRUSLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(C)C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HADODNIAGURARL-RLCCDNCMSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZUWEWVSFPMAS-ROUUACIJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRAUNQDBTKBZLT-HOTGVXAUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cl)ccc1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXXXAPFVFBGPCW-STQMWFEESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)c1cc(Cl)ccc1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHQTUUPNVDYAJW-OALUTQOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(Cl)ccc1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIULCYHGQJJBH-GOTSBHOMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc(Cl)ccc1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLUSHMKVPNQOH-ROUUACIJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMCUWXXGDNPEI-WMZOPIPTSA-N", "SMILES:Cc1cncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOFNVVPUCIWHD-FPOVZHCZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKMTZUICRESFP-HOTGVXAUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(Cl)ccc1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNIBPBLIUNGER-ROUUACIJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFHQKFRCKDZQNV-ROUUACIJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYCFBRSYNPWMPP-OALUTQOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXFPNVKXNASKV-ICSRJNTNSA-N", "SMILES:COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NULQBKAXJRXMGQ-ICSRJNTNSA-N", "SMILES:COc1ccc(F)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETRCXWCTHVDOB-OALUTQOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1F)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYSVYLKZYAPFV-ROUUACIJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1F)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPAETLOXBYGQA-OALUTQOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1F)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGPNVSJYFZRPN-OALUTQOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1F)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYGKAYEAQATFI-HOTGVXAUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZZWWOTFVTENW-OALUTQOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDYFIJWKPLZKI-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3CCOCC3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZDZSHUEDMMOH-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3CCOCC3)ccc2C(=O)c2c1oc1cc(C#Cc3cncc(OCC4CC4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZMQMMLPZNCPU-UHFFFAOYSA-N", "SMILES:CC1(COc2ccnc(C#Cc3ccc4c5c(oc4c3)C(C)(C)c3cc(OCCN4CCOCC4)ccc3C5=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYCEJNOEXGZEZ-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3CCOCC3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CCC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQOKVHRJKLLEM-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3CCOCC3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCCC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQFPMVKAMVDQNA-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3CCOCC3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC(F)(F)F)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXXVELGHXKSST-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3CCOCC3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4(CO)CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFQMFOPNXOZJB-UHFFFAOYSA-N", "SMILES:COCCOc1ccnc(C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(OCCN3CCOCC3)ccc2C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSYBNVFNSNIMP-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3CCOCC3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(C(=O)NC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHJMMAFUNGKSLA-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3C4CCC3COC4)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJFDUIVXIFHGSE-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3CCCOCC3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWFZNZTTHKFPM-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3CC4(COC4)C3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTJHBCKEZSYXTG-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(OCCN3CCNC(=O)C3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPVOGAITWLZNLK-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)N(CCOc2ccc3c(c2)C(C)(C)c2oc4cc(C#Cc5cc(OCC6CC6)ccn5)ccc4c2C3=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMPTEZPBQOOSS-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(N3CCOCC3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOORTUZRHZKYIF-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(N3CC4(COC4)C3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFBBWKXKGHYAHY-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(N3CCNC(=O)C3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWIKXJNZAJWKF-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(NS(C)(=O)=O)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFOHHTZHDHDNPM-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(NS(C)(=O)=O)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC(F)(F)F)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTPBRKTCUTGBZ-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(NS(C)(=O)=O)ccc2C(=O)c2c1oc1cc(C#Cc3cc(C(=O)NC4CC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCPQXPQIFCVHE-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1ccnc(C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(NS(C)(=O)=O)ccc2C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGOHGQJHJXBGW-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC(C)(C)C)cc(C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(NS(C)(=O)=O)ccc2C4=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGUOEMOYOJLRIK-UHFFFAOYSA-N", "SMILES:Cc1cnc(C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(NS(C)(=O)=O)ccc2C4=O)cc1C(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYNQXKHYYDAGJQ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC(C)(C)C)ccnc1C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACQCZAUTIOAKZ-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)NC(C)(C)C)cc(C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(NS(C)(=O)=O)ccc2C4=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCBBVKTBTZXBX-UHFFFAOYSA-N", "SMILES:CCCc1cc(C(=O)NC(C)(C)C)cc(C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(NS(C)(=O)=O)ccc2C4=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSWLSCPOLAJGJH-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1cc(C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(NS(C)(=O)=O)ccc2C4=O)nc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJTXQVLFZPHAOU-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1cc(Cl)nc(C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(NS(C)(=O)=O)ccc2C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRFDOJZJWLQZJB-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1cc(C#N)nc(C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(NS(C)(=O)=O)ccc2C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGPIBWMECOGVNE-MQTGOYKESA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYJNFZHRIUROTH-MQTGOYKESA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOBVBYDJFSMLOT-XLZYXGENSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1888176", "category": ["biolink:ChemicalEntity"], "name": "TROSPIUM", "xref": ["InChIKey:OYYDSUSKLWTMMQ-JKHIJQBDSA-N", "SMILES:O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1"], "synonym": ["Trospium", "Trospium", "Trospium cation", "Trospium ion"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5201360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHWBJXOKAFHZAI-UHFFFAOYSA-N", "SMILES:CN(C)CCC=C1c2ccccc2CC(O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1195210", "category": ["biolink:ChemicalEntity"], "name": "ALEXIDINE", "xref": ["InChIKey:LFVVNPBBFUSSHL-UHFFFAOYSA-N", "SMILES:CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC"], "synonym": ["Alexidine", "Alexidina", "Bisguadine", "COMPOUND 904", "STERWIN 904", "WIN 21,904", "WIN-21904", "Alexidine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL790", "category": ["biolink:ChemicalEntity"], "name": "CHLORHEXIDINE", "xref": ["InChIKey:GHXZTYHSJHQHIJ-UHFFFAOYSA-N", "SMILES:N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1"], "synonym": ["Chlorhexidine", "Chlorhexidine", "Chlorhexidine", "Clorhexidina", "Chlorhexidine", "Avagard", "Chlorhexadine", "Chlorhexidine", "Dentisept", "Merfen-incolore", "Chlorhexidine"], "chembl_natural_product": true, "chembl_availability_type": "over the counter"}
{"id": "CHEMBL.COMPOUND:CHEMBL5174395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGXZGJKNUNLHK-LFIBNONCSA-N", "SMILES:CNCC/C=C1\\c2ccccc2CC(O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333826", "category": ["biolink:ChemicalEntity"], "name": "DEQUALINIUM", "xref": ["InChIKey:PCSWXVJAIHCTMO-UHFFFAOYSA-P", "SMILES:Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21"], "synonym": ["Dequalinium", "Dequalinium cation"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1094966", "category": ["biolink:ChemicalEntity"], "name": "PIRBUTEROL", "xref": ["InChIKey:VQDBNKDJNJQRDG-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)c1ccc(O)c(CO)n1"], "synonym": ["Pirbuterol", "Pirbuterol", "Pirbuterol", "ARA-211"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1180496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYEBKOFMWAMBFV-UHFFFAOYSA-O", "SMILES:CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1617007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVKVDDALQQZUGC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKVLPHXLBKZSF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOXLGJXZOCELTF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWZYFLQTZNSFGL-SOFGYWHQSA-N", "SMILES:Cc1ccc(NC(=O)/C=C/c2cccc(-c3cnc4[nH]ccc4c3)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRKRVOIJEZNXMD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCKGEPZYYKAEX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCSLNTQIOHQKAS-UHFFFAOYSA-N", "SMILES:O=C(CCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKTDBSMLYXJBHS-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPDETQJTDKFRY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYPYPPJMFHXISJ-UHFFFAOYSA-N", "SMILES:O=C(CCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEOXLPFSJJQMJ-UHFFFAOYSA-N", "SMILES:O=C(CCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTHZCKVCMMTCRJ-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)CCc3cccc(-c4cnc5[nH]ccc5c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYORNDNFTFMXSS-UHFFFAOYSA-N", "SMILES:O=C(CCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1ccc(OCCO)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJIDSDYDUZUTLL-UHFFFAOYSA-N", "SMILES:O=C(CCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1ccc(NCCN2CCOCC2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIEYRTKHMAJVMI-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578881", "category": ["biolink:ChemicalEntity"], "name": "SEL-120", "xref": ["InChIKey:GQXLWUCQESKBSC-UHFFFAOYSA-N", "SMILES:Cc1c(Br)c(Br)c2c3c1nc(N1CCNCC1)n3CCC2.Cl"], "synonym": ["Sel-120", "Sel120", "SE-120-34A", "SEL-120", "SEL120", "SEL120-34A"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMOLXHFMLLMQGV-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCCc2cccc(-c3cnc4[nH]ccc4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZUEVZYWZETOI-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)c1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEINGKLGBPVDKF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)NCCc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGQGTPAYEJSFMJ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZVJZUNKZBGKM-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFWPCSDJFISLSV-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)NCCc2cccc(-c3cnc4[nH]ccc4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJPWYIRJTZHAI-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTRFGYRCZQUTBK-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1cc(C(F)(F)F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTOTGIWQYCBMY-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1cccc(C(F)(F)F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNKFUCVZQQALFR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)NCCc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATIMUPHAVTYDME-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NCCc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOPJLFUHAVNOAS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDEMURRBPBVFGE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CNc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPNRVFOFEAVYQD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)COc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDUQCTCXFZIOLA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2cccc(-c3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URERNPUOVOAZAR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cc(-c3cnc4[nH]ccc4c3)ccc2Cl)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMCGAICYJEBRX-SOFGYWHQSA-N", "SMILES:Cc1ccc(NC(=O)/C=C/c2cccc(-c3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMXDKIYBRAUGFG-QPJJXVBHSA-N", "SMILES:Cc1ccc(NC(=O)/C=C/c2cc(-c3cnc4[nH]ccc4c3)ccc2F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDKLZUGIVHDSBA-QPJJXVBHSA-N", "SMILES:Cc1ccc(NC(=O)/C=C/c2cc(-c3cnc4[nH]ccc4c3)ccc2Cl)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEULRQMZTGJVOJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]cc(Cl)c4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPRZFSFMWLGTMY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]cc(Br)c4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMZXOWIYNQLBZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]cc(I)c4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQZXBFILOCUANI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]ncc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZCKDMMLWFQKO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cccc(-c3cnc4[nH]ccc4n3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNCSRSQCTNWMRI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cccc(Oc3cnc4[nH]ccc4c3)c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFBOJFLAAOBTDL-UHFFFAOYSA-N", "SMILES:O=C(CCc1cccc(-c2cnc3[nH]ccc3c2)c1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYCJILVRZEEQY-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)CCc2cccc(-c3cnc4[nH]ccc4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGMRBKNFUGWGID-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMCKQIXYCUICJ-LMXVXWCUSA-N", "SMILES:Cc1cn(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](NC(=O)c6ccncc6)CC[C@]5(C)[C@H]4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQTBLQBOBNNBKG-PQFRROSMSA-N", "SMILES:C[C@]12CC[C@H](NC(=O)c3ccncc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDQERITJWSRCX-HKSHTPPISA-N", "SMILES:C[C@]12CC[C@H](NC(=O)c3ccnnc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXULXBUICMCOKS-PRRVXOGTSA-N", "SMILES:COc1cncc(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](NC(=O)c6ccnnc6)CC[C@]5(C)[C@H]4CC[C@]23C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWXOATJERWOEPV-LWHNIQRHSA-N", "SMILES:Cc1cncc(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](NC(=O)c6ccnnc6)CC[C@]5(C)[C@H]4CC[C@]23C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXODPWIKNOEWIM-LMXVXWCUSA-N", "SMILES:Cc1cn(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](NC(=O)c6cccnc6)CC[C@]5(C)[C@H]4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLPIBXCLWOSHB-YPZLOKHQSA-N", "SMILES:C[C@]12CC[C@H](NC(=O)c3ccncc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnc3)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXULIBVDAQXMX-BNCSLUSBSA-N", "SMILES:C[C@]12CC[C@H](NC(=O)c3ccnnc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnn3)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGGLDJAEDVCHGN-YPZLOKHQSA-N", "SMILES:Cc1cn(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](NC(=O)c6ccnnc6)CC[C@]5(C)[C@H]4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNETZLOYJXWUGZ-JJAANBCZSA-N", "SMILES:C[C@]12CC[C@H](NC(=O)c3ccnnc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnc3)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUYIULJWMUPBSX-UHFFFAOYSA-N", "SMILES:CNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFUQGVGQVLYSU-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NNCC)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSQNJXFQKRJOS-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NNCC)cc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSRQSPRXYPDGGO-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CNc2cccc3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGLYSKKNULXQB-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CNC(=O)Nc2cccc3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRUASYWRNKBHK-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(NC(=O)Nc2cccc3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXTCNBJGZKHXQT-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(Cn2ccc3cc(C(=O)c4ccc(OC)cc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMKQBWBMFNHWCC-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNUESYWCKCMEX-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(Cn2nnnc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFBUPPMGQDWQW-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3Sc3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APBRAGFELHFECV-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(Cn2c3ccccc3c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LALMVGCKSLDDQQ-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3Cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDZZGLURFJQOQE-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRZSMMDQXGEGA-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHUUJWLMKPLLG-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3nc(C)nc(C)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMBRCPAADNUBFL-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccc(C)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXLEUCXTBRTSO-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccc(F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVRMAYXPVDKOS-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3CC(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRMRRJHOOJCCFB-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1csc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHOWFTHEIHFLSR-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(Cn2c3ccccc3c3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQDXRVQFUAWGO-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(Cn2c3ccccc3c3cnccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKGOFLVEVUSUIH-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3Sc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUWHAZNTLZWRS-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(Cn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIEOKDIWSWZOQL-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3Oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDXHHGXXWKNKOD-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccc(C(F)(F)F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFRDJSZUBDABK-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(CN2c3ccccc3CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZBTUUGHMVQMEI-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(Cn2c3c(c4ccccc42)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFHRCLAKZBDRHN-INIZCTEOSA-N", "SMILES:CC(C)(NC(=O)O[C@H]1CN2CCC1CC2)c1csc(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYEDZYNMNDDBEN-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKORDFKJDTWPBN-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEYNTZEYJBSIE-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAVTPLMJJNDQJ-QGZVFWFLSA-N", "SMILES:Cc1ccc(-c2nc(C(C)(C)NC(=O)O[C@@H]3CN4CCC3CC4)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHWZWAKNDDJGMR-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(C(F)(F)F)cc2)n1"]}
{"name": "Protein N-lysine methyltransferase METTL21A", "xref": ["CHEMBL.TARGET:CHEMBL3588741"], "id": "UniProtKB:Q8WXB1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-lysine N-methyltransferase 2D", "xref": ["CHEMBL.TARGET:CHEMBL2189114"], "id": "UniProtKB:O14686", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-lysine N-methyltransferase 2C", "xref": ["CHEMBL.TARGET:CHEMBL2189113"], "id": "UniProtKB:Q8NEZ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-lysine N-methyltransferase 2B", "xref": ["CHEMBL.TARGET:CHEMBL2189112"], "id": "UniProtKB:Q9UMN6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-lysine N-methyltransferase SETD1B", "xref": ["CHEMBL.TARGET:CHEMBL4105837"], "id": "UniProtKB:Q9UPS6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-lysine N-methyltransferase SMYD3", "xref": ["CHEMBL.TARGET:CHEMBL2321643"], "id": "UniProtKB:Q9H7B4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-lysine N-methyltransferase SUV39H2", "xref": ["CHEMBL.TARGET:CHEMBL1795177"], "id": "UniProtKB:Q9H5I1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZZFMPHREKDPSY-LAUBAEHRSA-N", "SMILES:CC(C)OC(=O)[C@@H](Cn1cncn1)NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXBJLXHCMPTESY-PGRDOPGGSA-N", "SMILES:CC(C)NC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKHZKXGHBNXWOD-NVHKAFQKSA-N", "SMILES:COc1ccc2cc([C@H](C)C(=O)NC(Cn3cncn3)C(=O)c3ccccc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCOUIWSHUBHFFU-YCNTUTBLSA-N", "SMILES:COc1ccc(C(=O)C2=C3OC(C)(C)[C@@H](CC=C(C)C)C[C@@]34C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C2=O)C4=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYUYDYYDXPHTQU-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBLIZEIXBKDACF-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(C(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYEZOYJRIMAXMA-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(C(C)(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGKAXITBMNERI-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(CCN(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQIUGGXEPXXJY-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(CCCN(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFHGIXPLWBJRF-UHFFFAOYSA-N", "SMILES:CCOCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXPVMNJFZMAIML-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(CC4CCCO4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQXTKHIQIUABO-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(C4CCCCC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKXXYVPWUSZAM-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(CC4CCCCC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTMZCRUEMQFRJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(C4CCN(C)CC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKANPVDHWNNOIX-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(CCN(C(C)C)C(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVMJSGWUSMSUOD-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N2CCN(CCC(=O)Nc3nc4c(C)cccc4s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKQICQOKDDYTSK-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(c4ccccn4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXJUIUQOLDKNX-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(c4ccncc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAIDCXAXNMMWJI-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(c4ncccn4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFAYRBTODBBSH-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(Cc4ccccc4F)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEEWNRZJJWZGPB-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(Cc4cc(F)ccc4F)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFHVPNSGFKWKDJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYOPOVUCRKBUKY-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(NC(=O)CCN3CCN(Cc4cccc5ccccc45)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXNBPJBIFWNNOJ-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMCHHLIXQNKLTG-UHFFFAOYSA-N", "SMILES:CCCCCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZYWSXAIWGJPTD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DADBALWTMMVAKC-MDZDMXLPSA-N", "SMILES:CC1(NCC(=O)NCc2ccc(/C=C/C(=O)NO)cc2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJJLAWVMRURPRM-SDNWHVSQSA-N", "SMILES:CC1(NCc2ccc(C(=O)NCc3ccc(/C=C/C(=O)NO)cc3)cc2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOMOMVINVDARY-UHFFFAOYSA-N", "SMILES:CC1(NCCCCC(=O)NO)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYHZBRZIVCBSMC-MDZDMXLPSA-N", "SMILES:CC1(NCc2ccc(/C=C/C(=O)NO)cc2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JURGGVUGGOBNIX-UHFFFAOYSA-N", "SMILES:CC1(NCc2cccc(C(=O)NO)c2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWBTWYNFIGFIC-UHFFFAOYSA-N", "SMILES:CC1(NCc2ccc(C(=O)NO)cc2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APBRCMWEQMUMHX-JXMROGBWSA-N", "SMILES:CC1(NCC(=O)Nc2ccc(/C=C/C(=O)NO)cc2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQDXCHQGEHUKDL-NTEUORMPSA-N", "SMILES:CC1(NCc2ccc(C(=O)Nc3ccc(/C=C/C(=O)NO)cc3)cc2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRHOQVGLESTFNC-UHFFFAOYSA-N", "SMILES:CC1(NCc2ccc(C(=O)Nc3ccccc3N)cc2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBCHHZHONQIODT-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYHKAGSZXACMA-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYIUBHFVJCNNHX-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTCPCHOXMDPGOX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQFOHRUYPXZIG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHLAUFTEMOZFW-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)C1)C2c1ccc(OCC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKQLLRQPSFAPI-UHFFFAOYSA-N", "SMILES:CCc1ccccc1COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLVJZYQJLKXCDP-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXGWLGIUSZEHS-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTMQBNSDCXATQZ-UHFFFAOYSA-N", "SMILES:C#Cc1ccccc1COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILKRGFKOTHKFFT-OHUGHZGNSA-N", "SMILES:C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)NCC)cc2)c2cccc(OC)c2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPBHAAYNPPRRA-XXBNENTESA-N", "SMILES:CN1CC[C@@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFERSTZGBUFRJT-ZKRIHRHSSA-N", "SMILES:Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.N.N.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZWUFGTUXRBVNC-UHFFFAOYSA-N", "SMILES:COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFOSUSKGYPPAMT-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZPBCWVOHRBRPY-UHFFFAOYSA-N", "SMILES:COc1cc(CCNC2COc3ccccc32)c(OC)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCSKHPOCQXHCZ-UHFFFAOYSA-N", "SMILES:COc1cc(CCNC2CCOc3ccccc32)c(OC)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWEDZTZAXHMZIL-UHFFFAOYSA-N", "SMILES:COc1cc(CCNCc2ccccc2O)c(OC)cc1C#N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5170895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBJWOIWLBRLGKZ-UHFFFAOYSA-N", "SMILES:COc1cc(CCNCc2ccccc2OC)c(OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAYYSFNKTHOOBZ-UHFFFAOYSA-N", "SMILES:COc1cc(CCNCc2ccccc2F)c(OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFFGJOIVRPVLGJ-UHFFFAOYSA-N", "SMILES:COc1cc(CCNCc2cccc3c2OCO3)c(OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTWSFJCMCLECPU-UHFFFAOYSA-N", "SMILES:COc1cc(CCNCc2cccc(O)c2)c(OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVSMNAHTYILSO-UHFFFAOYSA-N", "SMILES:COc1cc(CCNC2COc3ccccc32)c(OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTUFHOKUFOQRDF-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZYUWBHJQPYBK-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1cc[nH]n1)N1Cc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNCMBWDONILNBE-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1n[nH]c2c1CCC2)N1Cc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFBNRNRJZPZLU-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEBMHCMWFKUFMQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(Cl)cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRZFMIOMDPCEKY-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2ccc(C#Cc3ccccc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNRWAFNZNOEGGS-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2ccc(C#Cc3cccnc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTFJFSGVIVLQOB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(C#Cc3cccnc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTKRDVGWBDNWDV-UHFFFAOYSA-N", "SMILES:Nc1ccc(C#Cc2cc(F)c3c(c2)C(=O)N(C(C(=O)Nc2nccs2)c2ncn4c2CCC4)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVOVNRNBMZTWHO-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2ccc(C#Cc3ccc(CN4CCCCC4)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTJDDZPMJOPDOY-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(C#Cc3ccc(CN4CCCCC4)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUZGSAUMCIVDB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2ccc(C#Cc3ccc(CN4CCC(O)CC4)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTRZCCMLFPUDEZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(C#Cc3ccc(CN4CCC(O)CC4)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFAJABPVZGNPOS-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(C#Cc3ccc(CN4CCC(CO)CC4)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUARJAODGRSLP-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(cc(C#Cc3ccc(CN4CCC(CO)CC4)cc3)cc2C(F)(F)F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACAARKVFRVCUMK-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(cc(C#Cc3ccc(CN4CCC(CO)CC4)cc3)cc2C(F)F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAARYUGOCWIQON-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(C(C(=O)Nc3nccs3)N3Cc4c(cc(C#Cc5ccc(CN6CCC(CO)CC6)cc5)cc4C(F)F)C3=O)ncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBJAEJWIJXPDTI-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(-c3cc(F)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5CCC6)nc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSCHXEOUISWEEW-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(-c3cc(Cl)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5CCC6)nc4c3Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STKVRLFVUMSYGE-OJQMSQGESA-N", "SMILES:CCN1CCN(c2ccc(-c3cc(Cl)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINSHXJSQFGWCQ-COBFLCELSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(Cl)cc(-c3ccc(N4CCN(C5CC5)CC4)cc3)c(Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKMGCTJBEBJYHO-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(Cl)cc(-c3ccc(N4CCOCC4)cc3)c(Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GETZDLDQXLFTNH-SIHBAMTISA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(Cl)cc(-c3ccc(N4CCOCC4)cc3)c(Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCFIHWKOFXWCE-FOEZPWHWSA-N", "SMILES:Cc1c(-c2ccc(N3CCOCC3)cc2)cc(C(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3C[C@@H](F)C4)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZSXMSPYXHBGKW-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(N3CCOCC3)cc2)cc(C(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC43CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSGFJXBDPQPNT-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(F)cc(C#Cc3ccc(CN4CCC(O)CC4)cc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIMNEHHOQCWBNT-UHFFFAOYSA-N", "SMILES:Cc1c(C#Cc2ccc(CN3CCC(CO)CC3)cc2)cc(C(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC4)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCQKFFIRIFVIZ-UHFFFAOYSA-N", "SMILES:Cc1c(C#Cc2ccc(CN3CCC(CO)CC3)cc2)cc(C(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC43CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQVOTINPRYDAO-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLKQPFCNEFCUMC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(N)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCADMWMQCHZJOA-CYBMUJFWSA-N", "SMILES:N[C@H](CCc1ccccc1)C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUSBBGMYHLSLW-ZIAGYGMSSA-N", "SMILES:O=C([C@H]1C[C@@H](c2ccccc2)CN1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNYTLGFUDHERQ-QZTJIDSGSA-N", "SMILES:O=C([C@H]1C[C@@H](c2ccccc2)CN1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWYWEPCVUPBBK-GIBKCMNESA-N", "SMILES:O=C1CCC(c2ccc([C@H]3CN[C@@H](C(=O)N4Cc5ccccc5C4)C3)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSRPCTNRBPRPAK-SJLPKXTDSA-N", "SMILES:O=C([C@H]1C[C@@H](c2ccc(Cl)cc2)CN1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBYTDUBXFMPGL-SJLPKXTDSA-N", "SMILES:O=C([C@H]1C[C@@H](c2cccc(Cl)c2)CN1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCRTPMGIHWFKT-RTBURBONSA-N", "SMILES:N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)CN2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMGRNQJJFZONV-RTBURBONSA-N", "SMILES:O=C([C@H]1C[C@@H](c2ccccc2)CN1)N1CCN(c2nccc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHDJLJDTWRZTJ-IEBWSBKVSA-N", "SMILES:N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@@H](c3cccc(Cl)c3)CN2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNUWCFQVRYQGA-IEBWSBKVSA-N", "SMILES:O=C([C@H]1C[C@@H](c2cccc(Cl)c2)CN1)N1CCN(c2nccc3ccsc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEESVUFHIWOBTA-LLVKDONJSA-N", "SMILES:CN(C)C(=O)[C@H](N)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTOHDDXGFCAEE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCOc1ccc(C(C)=O)c(O)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWGGQVMOOZYRGD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(c1ccc(C=O)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZTKRGSHRFWZIG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(c1cc(F)cc(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAINUECTMBLRLL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(c1ccc(F)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVFWYVSLSZOWQM-PFGZVUEHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPJLTMRKPOKQS-HHHXJYICSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQUATQFBQPHBE-UZSMMHNOSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CANOIEBHYSFNQZ-LPYCEROCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLADDZTQVLRQL-SRIROSDUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSUYZMJIBUYTC-SRIROSDUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQHWXGQOXZQZFF-HJIXFAFUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2=CCC(F)(F)CC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQUBCGAUPRDIGJ-NLOFDQBHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVKNXUOXYUBDJ-RPFZUVJRSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSIDPXKKAROEG-LQDLNRBUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMQOPFZYDZWBIH-XPWOFPJCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYEVNMABVRGAKT-AWKWKOCVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)SCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGPKDDVYDWPIQK-HGSYXIADSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC(C)(C)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPMQRMWDWCLRB-KKIRDPFHSA-N", "SMILES:COC(=O)[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPEGMZWYPCFVRN-JIFLLTKXSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPGUETYCTUNHI-YRLLTAODSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@](C)(C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEMJDBYGXIHYBK-VCDMFGLTSA-N", "SMILES:CCCCCSC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"name": "Appetite-regulating hormone", "xref": ["CHEMBL.TARGET:CHEMBL1921664"], "id": "UniProtKB:Q9UBU3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXIEOVFWXPEIO-RXONAPBBSA-N", "SMILES:CCCCCCSC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRLEHSQYIDFOB-TWMOVOSLSA-N", "SMILES:CCCCCCCSC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJRCXGHCPCPVQL-ZKYLREPOSA-N", "SMILES:CCCCCCCCSC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZNYDXUZSMWXNF-MAXOQOPMSA-N", "SMILES:CCCCCCCCCSC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMFCYWNOCWSBC-QUHOFJIWSA-N", "SMILES:CCCCCCCCCCSC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGCOMKWNQBEEQO-NUJRNOJUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCCCCc1ccccc1)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZJRYHGYXUZDF-NUJRNOJUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCCCOCc1ccccc1)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBZIOLBGKVPSB-IYIYPNBDSA-N", "SMILES:CCCCCC(C)CSC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLPUVDYWWHNQL-WQNJHDECSA-N", "SMILES:CC(C)CCCC(C)CSC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXMKSKEFRCAQQ-WQNJHDECSA-N", "SMILES:CCCCCCC(C)CSC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKDKYIHGQKHHM-RJKLHVOGSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"name": "Appetite-regulating hormone", "xref": ["CHEMBL.TARGET:CHEMBL5169189"], "id": "UniProtKB:Q9BDJ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCVVCABILAXTR-DZGCQCFKSA-N", "SMILES:COCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N(C)C(C)C)C3)[nH]n2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVJCKKRUKYOZQC-NWDGAFQWSA-N", "SMILES:CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVJCKKRUKYOZQC-NEPJUHHUSA-N", "SMILES:CC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTODDFPIWZQNDC-JKSUJKDBSA-N", "SMILES:CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(NC(=O)Cc4ccccc4)n[nH]3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTODDFPIWZQNDC-CVEARBPZSA-N", "SMILES:CC1(NC(=O)O[C@H]2CC[C@@H](c3cc(NC(=O)Cc4ccccc4)n[nH]3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPJXVBCBPIVKZ-QWHCGFSZSA-N", "SMILES:Cc1ncc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDMTAFKVSYHRC-JKSUJKDBSA-N", "SMILES:CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccccc3)n[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPCSXJZJDSYHW-NWDGAFQWSA-N", "SMILES:CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3ccnc4ncsc34)n[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLKQEANBUUJYHI-GOEBONIOSA-N", "SMILES:CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccccc3S(C)(=O)=O)n[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFXBJZCDBBMRSA-LSDHHAIUSA-N", "SMILES:COc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPQNSPVZNHDHX-UONOGXRCSA-N", "SMILES:Cc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4CCC4(C)C)C3)[nH]n2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISHSOFVJNNNVCJ-LSDHHAIUSA-N", "SMILES:Cc1cc(CC(=O)Nc2cc([C@H]3CCC[C@@H](OC(=O)NC4(C)CC4)CC3)[nH]n2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUZJJKQCAWHVAO-DERLLTFYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H]2CC3(C2)C[C@H](N2CCC(c4cnc(N5C6CCC5CN(c5cc(-c7ccccc7O)nnc5N)C6)nc4)CC2)C3)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXUZQLPIXZYFU-HXDJGGAESA-N", "SMILES:Cc1ncsc1-c1ccc(C2(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3CC4(C3)C[C@H](N3CCC(c5cnc(N6C7CCC6CN(c6cc(-c8ccccc8O)nnc6N)C7)nc5)CC3)C4)C(C)(C)C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEBYRUSJJKOQV-UJZQFIGNSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H]2CC3(C2)C[C@H](N2CCN(c4cnc(N5C6CCC5CN(c5cc(-c7ccccc7O)nnc5N)C6)nc4)CC2)C3)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAAGVFKOTMTQQG-MJACFWPESA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H]2CC3(CC[C@H](N4CCC(c5cnc(N6C7CCC6CN(c6cc(-c8ccccc8O)nnc6N)C7)nc5)CC4)CC3)C2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARAYAAURWWXPNH-WEVLVNODSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(c2cc(OCCN3CCC(c4cnc(N5C6CCC5CN(c5cc(-c7ccccc7O)nnc5N)C6)nc4)CC3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPWBQUYUAVGXOX-LTYCCJPWSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(c2cc(OCCCCN3CCC(c4cnc(N5C6CCC5CN(c5cc(-c7ccccc7O)nnc5N)C6)nc4)CC3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSFDQRFSHVTNM-JOCHJYFZSA-N", "SMILES:CCOC(=O)c1[nH]c2nc1-c1ccc(NC(=O)OC)cc1NC(=O)C(C)(C)CCC[C@@H]2c1ccc(-c2cc(F)ccc2OC(F)F)c[n+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGAFIEKLHAVOLZ-JOCHJYFZSA-N", "SMILES:CCOC(=O)c1[nH]c2nc1-c1ccc(NC(=O)OC)cc1NC(=O)C(C)(C)CCC[C@@H]2c1ccc(-c2cccc(Cl)c2F)c[n+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHANMCEQQHHAZ-XMMPIXPASA-N", "SMILES:COC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CCC[C@H](c1ccc(-c3cc(F)ccc3-n3cc(C(F)(F)F)cn3)c[n+]1[O-])c1nc-2c(C(=O)OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSGYBAAOVIWEQW-VEIFNGETSA-N", "SMILES:COC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CCC[C@H](c1ccc(-c3cc(F)ccc3OC(F)F)c[n+]1[O-])c1nc-2c(C(=O)O)[nH]1.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIHBKCWOAZHGI-HSZRJFAPSA-N", "SMILES:COC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CCC[C@H](c1ccc(-c3cc(F)ccc3-n3cc(C(F)(F)F)cn3)c[n+]1[O-])c1nc-2c(C(=O)O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDPHCVXCNKRWHQ-HXUWFJFHSA-N", "SMILES:COC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CCC[C@H](c1ccc(-c3cccc(Cl)c3F)c[n+]1[O-])c1nc-2c(C(=O)O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPMBSZUSDZRKJO-GOSISDBHSA-N", "SMILES:C[C@@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)CC(F)(F)C3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJOKETZTARBFPO-OSPHWJPCSA-N", "SMILES:C[C@@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3([C@@H](F)c4nncn4C)COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPFKFUBXIWSDL-LJAQVGFWSA-N", "SMILES:CC(C)[C@@H]1CN(C)CCN1Cc1cc2c(c(C(F)(F)F)c1)CN(c1cc(C3(Cc4nncn4C)COC3)cc(OC3CCCC3)n1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNELVOQWIAZVEZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cc(C3CC3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHFSZCGFDFVQF-UHFFFAOYSA-N", "SMILES:CCNc1cc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)cc(C2(Cc3nncn3C)CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBKIADQDXADPGR-UHFFFAOYSA-N", "SMILES:CCNc1cc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)cc(C2(Cc3nncn3C)CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPGUSCHJPBLYHX-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc2c(c1)NC(=O)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGKQWTDGYMKJSW-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc2oc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHMZZOLTHXZAU-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)nc2)nc1Nc1ccc2oc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEJLNUAEUPASMM-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPVCRYVHLVYPM-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHYLXFXKSYLIKT-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOEWEBRVZCXJLP-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(F)c(C(F)(F)F)c2)nc1Nc1ccc2oc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRHQLSAMGVMPZ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUWKGIFUJCSXAR-UHFFFAOYSA-N", "SMILES:COc1cc(CF)cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBSESZNXRQSJN-UHFFFAOYSA-N", "SMILES:COc1cc(C)cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBVOAQAKUPGHR-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNKOKUNFRCIYFW-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594441", "category": ["biolink:ChemicalEntity"], "name": "IFIDANCITINIB", "xref": ["InChIKey:OYFMQDVLFYKOPZ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F"], "synonym": ["Ifidancitinib", "Ati-50002", "Ati-502", "Ifidancitinib", "A-301", "ATI-502", "ATI50002"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSFFAYDLGJLXAU-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFQALMZTRPBUMF-QJNOEOSXSA-N", "SMILES:NC(=O)c1cccc([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O2)c1"]}
{"name": "NAD kinase", "xref": ["CHEMBL.TARGET:CHEMBL6177"], "id": "UniProtKB:O95544", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGRWPFOTXXMNB-XPWFQUROSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL560315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSOOCRRNBOFFJ-INFSMZHSSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSSC[C@H]2O[C@@H](n3c(Br)nc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFYBTAPNKJBFG-MHARETSRSA-N", "SMILES:Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CSSC[C@H]2O[C@@H](n3c(Br)nc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQDFAESAWVFGRX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZSOZPWBMKFIO-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLDOAIHQBYYJCF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BETHYGDDYXTKKV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccn1)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBOMNJBGPXUABG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCPUGOZDXOSSQ-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(NC(=O)c2noc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFVFBXTUFOBKBU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)c2noc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLLQIKRGKQKDV-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSFFKZRZNVSIY-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2noc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZMUAPXMNXWVOV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2noc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRQXQHULRURAR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLZWDPXOEVVKCT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDWCYQUXKSZIJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNJBAUBRUCUYNQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ccccc2c1)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVPVVCXXMTVOMH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccccc2)c1)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEYOHDTZHCNBN-UHFFFAOYSA-N", "SMILES:CCn1c2ccccc2c2cc(NC(=O)c3noc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLKUBVHSXXFKOB-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)c2noc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBKGICFMSLAEGI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)c1noc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKYEYDLXOOGLI-UHFFFAOYSA-N", "SMILES:O=C1CCCc2cc(NC(=O)c3noc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZOHHUOCEUMDKK-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NC(=O)c2noc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIVETCICWRHCP-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)c2noc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCQEDLNVOGCBZ-BUVRLJJBSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccccc4)CC3c3ccccc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBGHYJLVUIGOO-ZVHZXABRSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccccc4)CC3c3ccccc3Cl)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTOASWGWURGURO-ZVHZXABRSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccccc4)CC3c3ccc(C(F)(F)F)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYHQWVNUYSHGSV-ZVHZXABRSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccccc4)CC3c3ccc(F)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKNSRMBCTPCUPP-WYMPLXKRSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccccc4)CC3c3ccc(F)cc3F)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZTVZAKQUZNLU-MFKUBSTISA-N", "SMILES:Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)COc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTPZHEMUSATIFE-WYMPLXKRSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccccc4)CC3c3ccc(Cl)c(Cl)c3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJXVWSHPAFIAU-ZVHZXABRSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccccc4)CC3c3ccc(Br)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGDQEORMIPPRP-ZVHZXABRSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccc(F)cc4)CC3c3ccccc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUNZNGVBFJIKV-ZMOGYAJESA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccc(F)cc4)CC3c3ccccc3Cl)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXAPDKXGXJJUQC-WSDLNYQXSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccc(F)cc4)CC3c3ccco3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRNQTAXFNJUQTP-ZMOGYAJESA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccc(F)cc4)CC3c3ccc(C(F)(F)F)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOLHRAFKOJVOHK-ZMOGYAJESA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccc(F)cc4)CC3c3ccc(F)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYDUABKHMDYLH-BHGWPJFGSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccc(F)cc4)CC3c3ccc(F)cc3F)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWHYKDWFJPIARJ-AFUMVMLFSA-N", "SMILES:Cc1ccc(C2CC(c3ccc(F)cc3)=NN2C(=O)COc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTVNAEHYBVIKTD-BHGWPJFGSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccc(F)cc4)CC3c3ccc(Cl)c(Cl)c3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZERPFJICOIUMF-LSHDLFTRSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccc(F)cc4F)CC3c3ccco3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHMSLZMRYYKFP-BHGWPJFGSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCC(=O)N3N=C(c4ccc(F)cc4F)CC3c3ccc(F)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVJZOFSLJQBMFT-BRJLIKDPSA-N", "SMILES:Cc1ccc(C2CC(c3ccc(F)cc3F)=NN2C(=O)COc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STSAGNKPXWLIGB-JXMROGBWSA-N", "SMILES:O=C(/C=N/O)NCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGNQUXUQPLZMAX-JXMROGBWSA-N", "SMILES:CCN(CC)CCNC(=O)/C=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXUUSWWZIUKVHH-RMKNXTFCSA-N", "SMILES:CN(C)CCCNC(=O)/C=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQJFVSEUKMIDY-XVNBXDOJSA-N", "SMILES:NCCNC(=O)/C=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3194316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMGKZZYRXXCAIQ-VMPITWQZSA-N", "SMILES:CN(C)CCNC(=O)/C=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UADGLAYGNGNWAB-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CCNC(=O)/C=N/O.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXGPWWSWNAKATK-ONNFQVAWSA-N", "SMILES:O=C(/C=N/O)NCc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSEUPUDHEBLWJY-HWKANZROSA-N", "SMILES:CC(=O)/C(C)=N/O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5208968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJQIFICJWTBCT-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(-c3ccccc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDXPAUYMQCRDB-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSJPJGJDTDPYOI-UHFFFAOYSA-N", "SMILES:CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEQAIAJPIFRCV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJPYVLJMZNIFJA-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccccc2)c(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVTQLQZXOAQHCI-UHFFFAOYSA-N", "SMILES:Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C)nn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INSWHCMHHLQICL-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICYGUXCBUCWIE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc3c2c(C)nn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIWOTDLUSQQTL-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccc(F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTHETQENNXPDR-UHFFFAOYSA-N", "SMILES:CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C)nn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPZBHRGJNJEWIV-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUUWGPAOSACCET-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C3CCCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOOKGPJWBLMAS-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccco3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHFVAGAOXBUUBZ-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccc(Cl)s3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYKYPFNZXPZMKT-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C(F)(F)F)nn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPSMVWDXWZVNTD-UHFFFAOYSA-N", "SMILES:CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C(F)(F)F)nn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQMWGSPGDIEQDS-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)c2c(-c3ccccc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDGRRKMOCNKALO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(OC)c3)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFMVYNHHXCCPR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSLUPSTMXPYTO-UHFFFAOYSA-N", "SMILES:CCCOc1cc(NC(=O)NNc2cc(-c3ccc(OC)cc3)c3cnn(C)c3n2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWEXABYPVSSZCF-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(NC(=O)NNc2cc(-c3ccc(OC)cc3)c3cnn(C)c3n2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMFZSAQGIFJHIY-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NNc2cc(-c3ccccc3)c3cnn(C)c3n2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQJQKYLKEADJLB-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOGLJAMOZBRULJ-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXCURLSMIISBW-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDRIYLPOWYDSM-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(OCCF)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IETDICSENKYBNF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NNC(=O)Nc3cc(Br)nc(Br)c3)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STEHEMHSOBIXGI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRUZKSIFYXMKR-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)cc(Cl)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHICCJKXQBAMBU-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(F)cc(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBWGEAJPWHIMO-CSKARUKUSA-N", "SMILES:Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)N/C=C/c3cccnc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQDLCOPLFWMUFG-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJCFVNDNPLBSN-UHFFFAOYSA-N", "SMILES:Nc1nc(N)nc(NCCCCN2CCN(c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPKFKZAYBVENB-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCNc2nc(N)nc(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPOMVVVPOMELJ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)nc(NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYHRGCVTQARPC-UHFFFAOYSA-N", "SMILES:Nc1nc(N)nc(NCCCCCN2CCN(c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWZAQKYTKIEATF-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCNc2nc(N)nc(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVSYTNDELGUJS-UHFFFAOYSA-N", "SMILES:Nc1nc(N)nc(NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URACJDWODSYSKR-UHFFFAOYSA-N", "SMILES:Nc1nc(N)nc(NCCCCCCN2CCN(c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKSIEBMEPDEFX-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCCNc2nc(N)nc(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZRJIKQGMGQNFB-UHFFFAOYSA-N", "SMILES:Nc1nc(N)nc(NCCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSQASKSKBUBLK-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2c[nH]c3ccccc23)nc(NCCN2CCN(c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIFFFWPXBIDEFZ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCCCN2CCN(c3ccccc3)CC2)nc(NCCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJKOXINDLTROG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCNc2nc(N)nc(NCCc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFPTZPCTBFZTJN-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc(NCCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDYCLIYIAFRGQ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2c[nH]c3ccccc23)nc(N2CCN(c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYTFDTBLSZRMME-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(c2nc(N)nc(NCCc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMXCBWFCHIVUJL-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2c[nH]c3ccccc23)nc(N2CCN(c3cccc(Cl)c3Cl)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMAWOZHLUHECK-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCNc2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDBSZTUUSMSCP-UHFFFAOYSA-N", "SMILES:COc1ccccc1NCCNc1nc(N)nc(NCCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXAKUVFURTEQJ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCNc2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNPKKTJJUINFAT-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCCNc1nc(N)nc(NCCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZKYOPQXMSHAV-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCOc2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSQQPDOYVQCNJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNc1nc(N)nc(NCCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOAXAKJUBSMZJB-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQHOGPLXAXSQAJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTQUEREFMHYHS-UHFFFAOYSA-N", "SMILES:CNCCOc1ccc(N2Nc3cc(O)ccc3-c3c2c2ccc(O)cc2oc3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STFRZHCGJHWKDR-UHFFFAOYSA-N", "SMILES:CNCCOc1ccc(N2Nc3c(c(=O)oc4cc(O)ccc34)-c3ccc(O)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISSMRYZIKZMPG-UHFFFAOYSA-N", "SMILES:Cc1cc(N2Nc3cc(O)ccc3-c3c2c2ccc(O)cc2oc3=O)ccc1OCCN1CCC=C(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQAEJHFGLDXRT-UHFFFAOYSA-N", "SMILES:Cc1cc(N2Nc3c(c(=O)oc4cc(O)ccc34)-c3ccc(O)cc32)ccc1OCCN1CCC=C(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIOYCAFYGHCOY-UHFFFAOYSA-N", "SMILES:O=C(COCN1CCCCC1)CN1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFJRZVYBTLZGSR-UHFFFAOYSA-N", "SMILES:O=C(COCN1CCCCC1)CN1Nc2c(c(=O)oc3cc(O)ccc23)-c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQNZYYSEZBIEF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)CNc2c(-c3ccc(O)cc3)c(=O)oc3cc(O)ccc23)ccc1OCCN1CCC=C(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYCXXPIENKXMHJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2c(C(=O)c3ccc(OCCN4CC(C(=O)O)=CCC4=O)cc3)c3ccc(O)cc3[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTLYEBGPROJEG-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2c(C(=O)c3ccc(OCCN4CC(C(=O)O)=CCC4=O)cc3)c3ccc(O)cc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PATAFNKRVMWVGP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2c(C(=O)c3ccc(OCCNS(=O)(=O)O)cc3)c3ccc(O)cc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLYZYLKQDKMAOV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCN2C=Cc3ccccc3C2)cc1)c1c(-c2ccc(O)cc2)oc(=O)c2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMGCXWKUIFYIG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCN2C(=O)CCC2=O)cc1)c1c(-c2ccc(O)cc2)oc(=O)c2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWMRBSFBFQITCE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)C2=C(c3ccc(O)cc3)COc3cc(O)ccc32)ccc1OCCN1C=Cc2cccnc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJPMCJKEKZQPGD-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)C2=C(c3ccc(O)cc3)COc3cc(O)ccc32)ccc1OCCN1Cc2cccnc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIKAQBJCHZVUSN-UHFFFAOYSA-N", "SMILES:CC(CN1CCCC2CCCNC21)OCC(=O)N1Nc2cc(O)ccc2C2COc3cc(O)ccc3C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHRADSGLDMDNB-UHFFFAOYSA-N", "SMILES:CC(CN1CCCC2CCCNC21)OCC(=O)N1NC2c3ccc(O)cc3OCC2c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAPZOACBBPGKH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)c(OCc3ccccc3)c(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHURFAUBUZGYNE-CDJWAVJASA-N", "SMILES:C=C1c2[nH]c3ccc(OC)cc3c2C2[C@@H](CC)C1CCN2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL459209", "category": ["biolink:ChemicalEntity"], "name": "UNDULIFOLINE", "xref": ["InChIKey:ITRBOGBMPGNZBO-AJRGADBESA-N", "SMILES:COC(=O)[C@]12COCC[C@@H]3[C@H](c4c1[nH]c1ccccc41)N(C)CC[C@@H]32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL508920", "category": ["biolink:ChemicalEntity"], "name": "TUBOTAIWINE", "xref": ["InChIKey:RLAKWLFUMAABBE-STJTYLQHSA-N", "SMILES:CC[C@H]1[C@@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5191307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKSIYFJGCTTET-BPUQSSDRSA-N", "SMILES:C/C=C1\\CN2CC[C@@H]1[C@](CO)(C(=O)OC)c1[nH]c3ccccc3c1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5199544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBLUYASSOGHQQA-RBUKOAKNSA-N", "SMILES:O=C1NCCc2c[nH]c3ccc4c(c23)[C@H]1[C@@H](c1ccc2c(c1)OCO2)O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL285671", "category": ["biolink:ChemicalEntity"], "name": "APPARICINE", "xref": ["InChIKey:LCVACABZTLIWCE-CRAFIKPXSA-N", "SMILES:C=C1c2[nH]c3ccccc3c2CN2CC[C@H]1/C(=C\\C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5175146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRVZLLGJDUVDH-FKLLLFIRSA-N", "SMILES:C1=C\\CCc2cc3c(o2)[C@@H]2N4CCCC/C=C\\[C@H]4C[C@@]24CN(CCCC/1)CC[C@@H]34"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5180448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJZAQZWSSSART-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3ccc(CCCc4ccccc4)cc3)ccc2c(=O)n1CC1CCC(c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWNKPSNZXWVRRI-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-c2cc(CCC(=O)O)c3c(=O)n(CC4CCCO4)c(N)nc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILAQEIPIKWBRQC-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)c3c(=O)n(CC4CCC(c5ccccc5)O4)c(N)nc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJBZTCPVQPNGD-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3ccc(CCCc4ccccc4)cc3)cc(CCC(=O)O)c2c(=O)n1CC1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKXHCLGSLQRLP-UHFFFAOYSA-N", "SMILES:NC(=O)NCCSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOLPNGSLHSUNBF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccccc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1186853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMSPDCFSXJZNL-UHFFFAOYSA-N", "SMILES:CCNCc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYMQLACGAYNBRX-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(CC(Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEAVJKJURZRSJV-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(CC(Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOFYZEYIRXKTQI-UHFFFAOYSA-N", "SMILES:CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFWXFDMKRSYRD-UHFFFAOYSA-N", "SMILES:CCCN(CCOC)c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJYDNLEBFBXAU-CIAFOILYSA-N", "SMILES:Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)/N=C/c1cnn2ccc(C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRQXJRZUAPKDJ-WGOQTCKBSA-N", "SMILES:CNCCCN(C)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)/N=C/c1cnn2ccc(C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPKNIHFNOVSFKY-DHIUTWEWSA-N", "SMILES:CC(C)N1C[C@H]2C[C@@H]1CN2c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVOJYOIAXOTIM-WDZFZDKYSA-N", "SMILES:NC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPYUSFFCJNZJC-DHDCSXOGSA-N", "SMILES:NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3ccccn3)c[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMNSDQGHJLYTB-BKUYFWCQSA-N", "SMILES:CN(C)CCNC(=O)c1cccc(-c2c[nH]c(/C=C3\\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRPJZMIFBAXAKX-UNOMPAQXSA-N", "SMILES:C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)C2CCNCC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZNCQKCYPSGTBS-UHFFFAOYSA-N", "SMILES:O=C(O)COCCOc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPHBCIKYYUQAFI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2c(Oc3cc(C4=CCC(C(F)(F)F)CC4)ncn3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPIPDBAWBHXGR-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2c(F)cccc2F)oc2ccc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IALXIRPKVRUJQO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cc3cccnc3c(-c3ccc4nonc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWVBOPKUSVZZPJ-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219046", "category": ["biolink:ChemicalEntity"], "name": "PSI-697", "xref": ["InChIKey:DIEPFYNZGUUVHD-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCCC3"], "synonym": ["Psi-697"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5180024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLAPWYQTJUGNEX-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(O)c(C2(c3ccc(Cl)cc3)CC2)nc2c3c(ccc12)CCC(C(F)(F)F)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGPTXKJCXPTFR-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2cccc(C(=O)O)c2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBFMZFPZCWMRU-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2cncc(C(=O)O)c2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNUJRJCEJXKUFP-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2c(C)ncc(C(=O)O)c2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGAAWXTGFRHCE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2C(=O)N(c3ccccc3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLZDXNPMOQHWFC-UHFFFAOYSA-N", "SMILES:CC(C)CN(Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFGVQJFBQJWZAW-RTWAWAEBSA-N", "SMILES:C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGMUDAKKGSLGLA-UXHICEINSA-N", "SMILES:C[C@@H]1CN(Cc2ccccc2)c2cnccc2[C@H](C)N1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJJNQHURZGTUEE-UHFFFAOYSA-N", "SMILES:O=C(NC1=CC=CC1)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDLJDOSGSKRRNU-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLNUWXTOODCFJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(C2CC2)o1)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJQBOLRFHSCAN-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHUHVTCQTUDPIJ-RNHBAAACSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBICFNBLMNOMNL-KHPPLWFESA-N", "SMILES:O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1/C=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRGGIVFZAJPIC-FPLPWBNLSA-N", "SMILES:O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1/C=C\\c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMYTUICYFADRB-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCN2CCOCC2)nn1-c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWFINBJFLNTGT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCOc2cc(C)n(-c3ccc(F)c(F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGBIHGKWPVSHSO-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2c(CO)cnc3c(C4CC4)cc(C#N)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBRHUHHQIYMSH-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2c3c(nc4ccc(C#N)cc24)CCN(C(C)=O)C3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBLUZNHTPDUIL-UHFFFAOYSA-N", "SMILES:Cc1cc2ccccc2n1CCNC(=O)c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBGNCCIBYXJAS-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAVZGJJQFJSMW-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPTLCDDKYURPTM-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2CCC(c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYSOGMUPDEQEM-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)ccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080228", "category": ["biolink:ChemicalEntity"], "name": "MEVROMETOSTAT", "xref": ["InChIKey:RXCVUHMIWHRLDF-HXUWFJFHSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@H](OC)C3COC3)c(Cl)c2C1=O"], "synonym": ["Mevrometostat", "Mevrometostat", "Mevrometostat", "Mevrometostat", "Pf-06821497", "PF-06821497", "Mevrometostat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPMOLOIDUBZFG-UHFFFAOYSA-N", "SMILES:CCCCOCCOc1nc(-c2ccc(C(=O)O)cc2)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMHKCNXXRQYRF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUCMLAGMPMOAKS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccc(S(C)(=O)=O)cc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLKIVUEHCVGSH-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccncc3C#N)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2382416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBGGIHNBOONNF-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOJMEDTXDAYSNZ-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPLSJVAMFMAOKU-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFLNEUFONDNPKF-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHSJVMXTEFKMQK-UHFFFAOYSA-N", "SMILES:CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCHPNLBLXJZGQW-UHFFFAOYSA-N", "SMILES:COc1cc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)ccc1-n1cnnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHTDEOJRSYUVPD-UHFFFAOYSA-N", "SMILES:COc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFWVLDKBWIXLX-VIFPVBQESA-N", "SMILES:COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVGMKPHBBLTBB-UHFFFAOYSA-N", "SMILES:CCc1cnc(N2CCC(n3ncc4ccc(-c5ccc(S(C)(=O)=O)cc5F)nc43)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJTUKFVFXWZPAK-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)N1CCC(n2ncc3ccc(-c4cc(F)c(S(C)(=O)=O)cc4F)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736283", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCWHIJFMMDYME-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(S(=O)(=O)O)cc2/C1=N/Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABVSYWGFUNXYAC-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2/C1=N/Nc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRVIZSKPPJCNT-SXGWCWSVSA-N", "SMILES:COC(=O)c1cc(NC2=NC(=O)/C(=C/c3ccc(C)cc3)S2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL526644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUGFLOKHGAUBLN-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(C(=O)O)cc2/C1=N/Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQLTUWTUANKXRS-OXKGMMJMSA-N", "SMILES:C=C/C(=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](O)/C(C(=O)O)=C(\\C)C(=O)O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYLKGLMBLAAGSC-CEQIKUNHSA-O", "SMILES:NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)O)[C@@H]3SC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZFXNLYYNNGWHS-GCKAQTDUSA-N", "SMILES:COc1cc([C@H]2Oc3cc4c(cc3[C@@H]2CO)NC(=O)[C@@]4(O)CC#N)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVZCLGQITBYVPH-UHFFFAOYSA-N", "SMILES:CC1(NCc2cn(CCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNDAAJYKADAYEJ-RTCTTWQYSA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)cnc1-c1ccc(OCCOCCOCCCOCCCOCCCOCCCOCCOCCNCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGWHSOHVKXCBQ-OAUUNBKOSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVRPIUMNLJGHB-DNKMKMOXSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZFPAKRUFRMERV-UGTWVAMRSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCCN1C[C@H](O)C[C@H]1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBSGLLSXZXUODL-ILPDCFDSSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCCNCC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSEMZXGWAQPWGZ-SBBHPGSYSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CCCN5CCOCC5)[C@H](C(=C)C)CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL42485", "category": ["biolink:ChemicalEntity"], "name": "DUP-697", "xref": ["InChIKey:AJFTZWGGHJXZOB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463273", "category": ["biolink:ChemicalEntity"], "name": "TELOCINOBUFAGIN", "xref": ["InChIKey:PBSOJKPTQWWJJD-ZBDZJSKLSA-N", "SMILES:C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL390983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLICIITZJTYKAQ-DIOULYMOSA-N", "SMILES:COc1c(N2CC[C@@H](C3(N)CC3)C2)ccc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXVQPFDXRYITI-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(CCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCN(C2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEJDKYLMUXYNLX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(F)c3)nc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUWMMEBOVLTYRR-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)cnc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYAWFSOGKJRLPC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)nc3)nc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOPZVIHARQDEU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(COc2cnc(Nc3cnc(N4CCC(N5CCN(C)CC5)CC4)nc3)nc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBCDCIJJXHHPTB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCNC4CCN(C)CC4)c3)nc2)c1F.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCPIYNGRJGPLEP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCN4CCNCC4)c3)nc2)c1F.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594428", "category": ["biolink:ChemicalEntity"], "name": "ASP-5878", "xref": ["InChIKey:VDZZYOJYLLNBTD-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCO)c3)nc2)c1F"], "synonym": ["Asp 5878", "Asp-5878", "Asp5878", "ASP-5878", "ASP5878"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREKRBYIVGEOTH-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(CCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTDZQQLWAXTHOZ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(CCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCC(N(C)C2CCN(C)CC2)CC1.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYBLMCUTGSQYDI-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKAWHBEDZZJIA-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPINAZPEONSQU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(C)c3)nc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUPSFVFBRAVOH-UHFFFAOYSA-N", "SMILES:CCOc1cc(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAFCPJBLADLACE-LCDGHNAASA-N", "SMILES:CCNC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIJDTTVUNSTPX-LUJOEAJASA-N", "SMILES:C[C@]12CC[C@H](NS(N)(=O)=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYEKMZUPNDJTAG-VTBMCCKRSA-N", "SMILES:C[C@]12CC[C@H](NS(N)(=O)=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272195", "category": ["biolink:ChemicalEntity"], "name": "EPIANDROSTERONE", "xref": ["InChIKey:QGXBDMJGAMFCBF-LUJOEAJASA-N", "SMILES:C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5202473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NULUEYPOJZTTTR-ZEBDFXRSSA-N", "SMILES:CO[C@H]1O[C@H](CS(=O)(=O)CCNC(=N)N)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVWBHINTPXQCH-SPFKKGSWSA-N", "SMILES:CO[C@H]1O[C@H](CS(=O)(=O)CCCNC(=N)N)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZICGGRAFKAKY-SPFKKGSWSA-N", "SMILES:CO[C@H]1O[C@H](CS(=O)(=O)CCCN)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDZWEUALIHNILC-SPFKKGSWSA-N", "SMILES:CO[C@H]1O[C@H](CSCCCN)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWLCEKFESZIAK-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKZOSXRWXOYNF-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(-c2cccnc2)n1-c1ccc(Br)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1521758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEBVJYWOFMIHFC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVADJFHSOSTEW-NXVVXOECSA-N", "SMILES:O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(C(Cc2ccccc2)C(=O)O)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5207151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHJLLZOAWUZLP-MFOYZWKCSA-N", "SMILES:COc1cc(/C=C2\\C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USWCHVCZOGGQQA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Nc2ncc3c(n2)CCCCC3=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVRQHTZNIMPPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFYIORXYSWPMNF-BFEUJOSTSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)[C@H](O)/C=C(\\C)[C@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFUNUARJVEHHB-BVIITUTESA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)[C@@H](O)/C=C(\\C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGJXAAUINCICB-KWKKBUOYSA-N", "SMILES:CC(=O)O[C@@H]1[C@H](C)[C@@H](C=C(C)C)C(=O)C[C@@H](OC(=O)c2cccnc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRHZYZQQBGOKEN-WSECGAEZSA-N", "SMILES:CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\\C)[C@H](O)CC(=O)C(C)(C)[C@@H](O)/C=C(\\C)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5191645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDZFDKVXEAOLQA-ZDNADVHESA-N", "SMILES:CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\\C)[C@H](O)CC(=O)C(C)(C)C/C=C(\\C)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5194754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXHMUROLBIZPHN-WQRPIHSESA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@H](O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXHMUROLBIZPHN-SYGXNLMZSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@H](O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSIMFTSEZQESDU-GIMAAPTKSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@@H](O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHPFLGFCKKCWKG-KURHSNMDSA-N", "SMILES:CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5199863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQQCQBUCYXATM-SOWOALGBSA-N", "SMILES:CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(CO)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQQCQBUCYXATM-WQEKMULTSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(CO)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQMNRFMSYQWGTG-ZXSWEZCSSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3cccc(O)c3)[C@@H]2/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNAZKGMSAWTJGA-YSKRICPISA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)[C@@H](O)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATMMZLIQOKUNK-QUOFPCSNSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)[C@H](O)[C@H]2O[C@@]3(C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3/C=C/1C)[C@@H](OC(C)=O)[C@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5176822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GITCJXFZRWGKLJ-GWXNUTEUSA-N", "SMILES:CC(=O)O[C@@H]1CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUWVRZMROPFRS-UCOYIGIGSA-N", "SMILES:CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\\C)[C@H](O)CC(=O)C(C)(C)/C=C/[C@@H](C)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5205096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZKCYZNAORCYGO-HEGMYTHOSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]12OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4544708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLAYVOSMBSWSF-QWRFVLAXSA-N", "SMILES:CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5174123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTEIMVRBDJBZAX-JAWKVFOISA-N", "SMILES:CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2cccnc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL499921", "category": ["biolink:ChemicalEntity"], "name": "EUPHORNIN", "xref": ["InChIKey:BRVXVMOWTHQKHC-LKCWGRRXSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5182576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJQDPIQTVDYRV-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2cnc(N)c(C(=O)NC3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUCLKLPCRFKTBY-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1nc(-c2ccc(CN(C)C)cc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZEOLEFTUYVGMY-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1nc(-c2ccc(CN(C)C)cc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIWVXBEEZJDGY-UHFFFAOYSA-N", "SMILES:CC(O)CNC(=O)c1nc(-c2ccc(CN(C)C)cc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUXGMUZVQIJON-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2cnc(N)c(C(=O)NCC(O)C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTMBVWXWVZJFAJ-QGZVFWFLSA-N", "SMILES:CN(C)Cc1ccc(-c2cnc(N)c(C(=O)NC[C@@](C)(O)C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNHPXTPQVIUCAC-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2cnc(N)c(C(=O)NC3CCCC3O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTHQNXLOKCRSOT-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2cnc(N)c(C(=O)NC3CCC(O)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDKWWAEPQBWLW-LJQANCHMSA-N", "SMILES:CCN(CC)Cc1ccc(-c2cnc(N)c(C(=O)NC[C@@](C)(O)C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYHGVBMTMXDQH-LJQANCHMSA-N", "SMILES:C[C@@](O)(CNC(=O)c1nc(-c2ccc(CN3CCCC3)cc2)cnc1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRLXXVCKJUSENY-LJQANCHMSA-N", "SMILES:C[C@@](O)(CNC(=O)c1nc(-c2ccc(CN3CCOCC3)cc2)cnc1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTJJKLEFLYIHU-LJQANCHMSA-N", "SMILES:C[C@@](O)(CNC(=O)c1nc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)cnc1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNVVQKUMHODWHU-LJQANCHMSA-N", "SMILES:C[C@@](O)(CNC(=O)c1nc(-c2ccc(CN3CCNCC3)cc2)cnc1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTDTVKAZAIEIJ-JOCHJYFZSA-N", "SMILES:CC(C)N1CCN(Cc2ccc(-c3cnc(N)c(C(=O)NC[C@@](C)(O)C(F)(F)F)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNXUJZYTJDUDTP-MEMLXQNLSA-N", "SMILES:CC(C)N1CCN(Cc2ccc(-c3cnc(N)c(C(=O)N[C@H]4CC[C@H](O)CC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAKNPZKWHXRAQQ-AFARHQOCSA-N", "SMILES:CCN(CC)C1CCN(Cc2ccc(-c3cnc(N)c(C(=O)N[C@H]4CC[C@H](O)CC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMRYXKUDCHBAFT-AFARHQOCSA-N", "SMILES:Nc1ncc(-c2ccc(CN3CCC(N4CCCC4)CC3)cc2)nc1C(=O)N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBUFPDRWWKMQF-AFARHQOCSA-N", "SMILES:Nc1ncc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)nc1C(=O)N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTHNZLGFTPGGDY-XUTJKUGGSA-N", "SMILES:Nc1ncc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2Cl)nc1C(=O)N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIAFBSYIBSNIRN-ANXHRGMGSA-N", "SMILES:C[C@]1(O)CC[C@H](NC(=O)c2nc(-c3ccc(CN4CCC(N5CCOCC5)CC4)cc3Cl)cnc2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGIHWPKCOSNDD-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2Cl)nc1C(=O)NC12CCC(O)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFOGHZBPCJINN-UHFFFAOYSA-N", "SMILES:CN1C(=O)NC(c2ccc(C(F)(F)F)cc2)C2=C1c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRBNAIBRVAFIK-UHFFFAOYSA-N", "SMILES:CN1C(=O)NC(c2ccc(O)cc2)C2=C1c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLCQTXQTAUFFL-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)N(C)C2=C(C(=O)c3ccccc32)C1c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHAFJBGNRLAPH-UHFFFAOYSA-N", "SMILES:CN1C(=O)N(CCN2CCNCC2)C(c2ccc(C(F)(F)F)cc2)C2=C1c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYXAMXMWNGLQI-UHFFFAOYSA-N", "SMILES:CN1CCN(CCN2C(=O)N(C)C3=C(C(=O)c4ccccc43)C2c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODSQRFXJDNSJGR-UHFFFAOYSA-N", "SMILES:CN1C(=O)N(N(C)CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)C(c2ccc(C(F)(F)F)cc2)C2=C1c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMIDEEYAYKZTEU-UHFFFAOYSA-N", "SMILES:CN1C(=O)N(CCN(CCO)CCO)C(c2ccc(C(F)(F)F)cc2)C2=C1c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANMNOXQEFIEGQ-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(C2NC(=O)N(C)C3=C2C(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBRBBTGMXJEEFP-UHFFFAOYSA-N", "SMILES:CN1C(=O)NC(c2ccc(OCCN3CCNCC3)cc2)C2=C1c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWVEMASATVTSS-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccc(C3NC(=O)N(C)C4=C3C(=O)c3ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHDHRDAKCPYZAP-UHFFFAOYSA-N", "SMILES:CN(CCOc1ccc(C2NC(=O)N(C)C3=C2C(=O)c2ccccc23)cc1)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFSKMWCRZCMIV-UHFFFAOYSA-N", "SMILES:CN1C(=O)NC(c2ccc(OCCN(CCO)CCO)cc2)C2=C1c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBRDCZCINPWRN-UHFFFAOYSA-N", "SMILES:CN1C(=O)NC(c2ccc(OCCN3CCN(CC(F)(F)F)CC3)cc2)C2=C1c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCSIDMONQSCSL-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(C2C3=C(c4ccccc4C3=O)N(C)C(=O)N2CC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPBDFOURLLNRT-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccc(C3C4=C(c5ccccc5C4=O)N(C)C(=O)N3CC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOQZUMAOUZUNT-UHFFFAOYSA-N", "SMILES:CN1C(=O)N(CC(F)(F)F)C(c2ccc(OCCN3CCN(CC(F)(F)F)CC3)cc2)C2=C1c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFXKPOFBKPYJJU-UHFFFAOYSA-N", "SMILES:Br.Fc1ccc2c(c1)c(-c1nc(-c3c[nH]c4ncccc34)cs1)cn2CCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIGFJDHEPWDAK-LLVKDONJSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)Nc1ccccc1"]}
{"name": "Neurolysin, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5169134"], "id": "UniProtKB:P42676", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXGLUGFBGVPTR-JTQLQIEISA-N", "SMILES:COc1ccccc1NC(=O)[C@@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXGLUGFBGVPTR-SNVBAGLBSA-N", "SMILES:COc1ccccc1NC(=O)[C@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFBWPWVPMWKSLC-LBPRGKRZSA-N", "SMILES:COc1cccc(NC(=O)[C@@H](N)Cc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFBWPWVPMWKSLC-GFCCVEGCSA-N", "SMILES:COc1cccc(NC(=O)[C@H](N)Cc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJJUPQIUCLBNC-LBPRGKRZSA-N", "SMILES:COc1ccc(NC(=O)[C@@H](N)Cc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJJUPQIUCLBNC-GFCCVEGCSA-N", "SMILES:COc1ccc(NC(=O)[C@H](N)Cc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJOCPKXJYCFLK-ZDUSSCGKSA-N", "SMILES:COc1cc(NC(=O)[C@@H](N)Cc2c[nH]cn2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNOLYLMLQUAGSP-NSHDSACASA-N", "SMILES:COc1cc(NC(=O)[C@@H](N)Cc2c[nH]cn2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUFVYRIKPOCJP-JTQLQIEISA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUFVYRIKPOCJP-SNVBAGLBSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDQYKQUWUZGFCB-NSHDSACASA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDQYKQUWUZGFCB-LLVKDONJSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTAGBYBQCHNGO-NSHDSACASA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTAGBYBQCHNGO-LLVKDONJSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARRVODGSUAKAMF-NSHDSACASA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARRVODGSUAKAMF-LLVKDONJSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDIQOWTLZHTAS-NSHDSACASA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDIQOWTLZHTAS-LLVKDONJSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEDXABNSKUZIJS-NSHDSACASA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYXRTMMGQYIOO-JTQLQIEISA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1c(F)cc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXUZAKBJQJAGSE-NSHDSACASA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKHYTKZRCLQXCI-JTQLQIEISA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc(C(F)(F)F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJUFJNLKKAIPQH-YVNNLAQVSA-N", "SMILES:CC(C)=CCc1cc(/C=C2\\OC(=O)C(c3cc4c(cc3O)OC(C)(C)C(O)C4)=C2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVHVIONQKSRSKA-YVNNLAQVSA-N", "SMILES:CC(C)=CCc1cc(C2=C(O)/C(=C/c3ccc4c(c3)CC(O)C(C)(C)O4)OC2=O)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMGCEGCHYKWEP-ZBKNUEDVSA-N", "SMILES:CC1(C)Oc2ccc(/C=C3\\OC(=O)C(c4cc5c(cc4O)OC(C)(C)C(O)C5)=C3O)cc2CC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTAVDUQKZJFATE-ZBKNUEDVSA-N", "SMILES:CC(C)(O)C(O)Cc1cc(/C=C2\\OC(=O)C(c3cc4c(cc3O)OC(C)(C)C(O)C4)=C2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHXVUPZBXVFUBY-YVNNLAQVSA-N", "SMILES:CC(C)=CCc1cc(C2=C(O)/C(=C/c3ccc(O)c(CC(O)C(C)(C)O)c3)OC2=O)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCYKFFNKVBZALI-FMCGGJTJSA-N", "SMILES:CC(C)=CCc1cc(C2=C(O)/C(=C/c3ccc(O)c(CCC(C)(C)O)c3)OC2=O)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTKTVODEIJFSFS-YDTWBZJWSA-N", "SMILES:CC(C)=CCc1cc(C2=C(O)/C(=C/c3ccc4c(c3)C[C@H](C(C)(C)O)O4)OC2=O)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROQJRRVIPWFLJW-GRSHGNNSSA-N", "SMILES:CC(C)=CCc1cc(/C=C2\\OC(=O)C(c3ccc(O)cc3O)=C2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5189793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDYFAZFMGEORI-FMCGGJTJSA-N", "SMILES:CC(C)=CCc1cc(/C=C2\\OC(=O)C(c3cc4c(cc3O)OC(C)(C)CC4)=C2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5186663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFBXUCEFZEFBA-ZBKNUEDVSA-N", "SMILES:CC(C)(O)C1Cc2cc(/C=C3\\OC(=O)C(c4cc5c(cc4O)OC(C)(C)C(O)C5)=C3O)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEVDINUTSONMTP-FMCGGJTJSA-N", "SMILES:CC(C)=CCc1cc(/C=C2\\OC(=O)C(c3cc(CCC(C)(C)O)c(O)cc3O)=C2O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5198006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAENTWBIFQKLIO-OVZZCMBNSA-N", "SMILES:CC(=O)O[C@H]1[C@H](OC(=O)C[C@](C)(O)CC(=O)O)C[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC(=O)C(C)(C)O)[C@@]1(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLOQWHPLYUPMRI-UTXPPSJWSA-N", "SMILES:COC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(C(=O)C[C@H]2C(C)(C)[C@H]1OC(C)=O)[C@]1(C)CC[C@H]([C@H](C)CCC(=O)C(C)(C)O)[C@@]1(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMNPYAPBWFYUTL-UMEXKTIJSA-N", "SMILES:CC(=O)O[C@H]1[C@H](OC(=O)C[C@](C)(O)CC(=O)O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC(=O)C(C)(C)O)[C@@]1(C)[C@H](O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPWAQSYSDCQSKY-OQSIWNGOSA-N", "SMILES:C/C(=C\\CC/C=C(\\C)CC/C=C(\\C)CC[C@H](O)C(C)(C)O)CC/C=C(\\C)CC[C@H](O)C(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5193607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCKZLUVIJMANP-INNIYDRTSA-N", "SMILES:COC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1OC(C)=O)[C@]1(C)CC[C@H]([C@H](C)CCC(=O)C(C)(C)O)[C@@]1(C)[C@H](O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWOEMBXZXGDBQ-LLSCCSQYSA-N", "SMILES:CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5188969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZAQBPFDHYWLGZ-UHFFFAOYSA-N", "SMILES:CC1CCCCN1CCCOc1cc2c3c(nccc3c1)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUWQPPDEVQRNNY-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCN4CCCCC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPJYIRAQOAJDZ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCCCC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSYOPCOOJYZQHT-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCN4CCN(CCO)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLZKNWEYCJMJK-UHFFFAOYSA-N", "SMILES:CC1CCCCN1CCCCOc1cc2c3c(nccc3c1)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTCXSJUUSGIYON-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCN4CCN(CCO)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIWWPZKJWVJFQR-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2cc3c4c(nccc4c2)-c2ccccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIBUWWIMUNKMDX-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2cc3c4c(nccc4c2)-c2ccccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GATFYHVVSKIMAF-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCN(CCO)CC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUSYJAGJTSJECQ-UHFFFAOYSA-N", "SMILES:CC1CCCCN1CCOc1cc2c3c(nccc3c1)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHDNWGYICAQWLV-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCCOc2cc3c4c(nccc4c2)-c2ccccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSMDIFSZWIBJES-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCN4CCCCC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKCWLVSRCZEZGF-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCOCC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUAOFNAKUHMGEN-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCCN4CCOCC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVZNAGOIKGNGJW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nccc3cc(OCCN4CCOCC4)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPOHTPVCKISQL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C3CCCNC43)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPPOYASQJVNOB-JTQLQIEISA-N", "SMILES:O=C(Nc1cccc2c(=O)[nH]ccc12)[C@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYZTIMDNVDWKI-UHFFFAOYSA-N", "SMILES:Cc1cc(NCCc2ccc(O)cc2)c2nncn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQNRYQMRIGYPGK-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HETSSARHFAGODR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(O)c3ccccc3n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1552719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRIKILRRJCIWNB-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(SCc3nc(-c4ccc(C)cc4)no3)nnc2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQYCOUBRJEYBC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(N2CCC3(CC2)CN(CCO)c2cc(F)cc(F)c23)nc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUPFZKALLNBBV-CALCHBBNSA-N", "SMILES:C[C@@H]1CN(c2cc(F)c3c(c2)N(C)C(=O)C32CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUXIZKXJOGYQP-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJZWZIXSGNFWQQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXAEYSGFKRDQM-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZULMLUOFTPMKQZ-WPMUBMLPSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CCn2cc(nn2)-c2cc(C(=O)O)cc(c2)-c2cn(nn2)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFZVQKXNNJGHQX-AQRCPPRCSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CCn2cc(nn2)CCCc2cn(nn2)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1408855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNDVFGAJLBLXDW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)c1ccc2nccnc2c1"]}
{"name": "Poly [ADP-ribose] polymerase 2", "xref": ["CHEMBL.TARGET:CHEMBL2794"], "id": "UniProtKB:O88554", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXCGEJJQFHPPA-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4Cc5ccccc5NC4=O)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STWRRCLLHUNQOS-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4Cc5ccccc5N(c5ccc(F)c(C#N)c5)C4=O)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMIRKZGQCVLNBO-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(-c4ccc(F)cc4)c3c2)c1F)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSFMSVIZAIBADX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(N)nn2C(=O)NC(C)C)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKHVLWAQGEZTM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAZOFMNXDONAU-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2OCc2ccc(Cl)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTXZNFZCCPBQIR-PXNMLYILSA-N", "SMILES:COc1ccc(Cl)cc1CN1C(=O)/C(=C/c2ccc(S(N)(=O)=O)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFRGNUJPJMKEU-PXNMLYILSA-N", "SMILES:COc1ccc(Cl)c(CN2C(=O)/C(=C/c3ccc(S(N)(=O)=O)cc3)SC2=S)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGLUBLRDAVNPM-DHDCSXOGSA-N", "SMILES:NS(=O)(=O)c1ccc(/C=C2\\SC(=S)N(Cc3cccc(Cl)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTPCUOHDFAYCL-YBEGLDIGSA-N", "SMILES:COc1ccccc1CN1C(=O)/C(=C/c2ccc(S(N)(=O)=O)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQJTWTDGVMTNMU-ODLFYWEKSA-N", "SMILES:CCCCOc1ccc(Cl)cc1CN1C(=O)/C(=C/c2ccc(S(N)(=O)=O)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVEPGCZIBQXPJW-SCWSEQNSSA-N", "SMILES:C=C1CC[C@@H](C(=C)C)[C@H](c2c(O)cc(CCCCC)cc2O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARYCMKPCDNHQCL-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5205867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHREBKXJWXHKG-LHSJRXKWSA-N", "SMILES:CC(=O)N1c2ccc(-c3cc[nH]n3)cc2[C@H](Nc2ccc(C#N)cc2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZDYFRDRHRZGF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCN4CCCC4)c(C)c3)nc2c1"]}
{"name": "Interleukin-1 beta", "xref": ["CHEMBL.TARGET:CHEMBL5069361"], "id": "UniProtKB:P10749", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYIZKVHYXNHDW-UHFFFAOYSA-N", "SMILES:CCNC(=O)C1=CC2C(c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cc(F)cc3C)=CN(C)C(=O)C2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJARSYKQDZEOI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCN(CCN(C)C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFHHVVOFYYDOV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1-c1nnc(-c2cnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cn23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTMPBSYSHUREQ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4nnc(-c5ccccc5C(=O)O)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLGHZXUFFSFTE-CTRAKOQMSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4nnc(-c5ccccc5C(=O)NCCCCCC(=O)N[C@H](C(=O)N5C[C@@H](O)C[C@@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACMMTSCGBPIHNT-RMNSFAHDSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4nnc(-c5ccccc5C(=O)NCCCCCCC(=O)N[C@H](C(=O)N5C[C@@H](O)C[C@@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJKUKMRNPBJXGS-LTEFSYCBSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4nnc(-c5ccccc5C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMJVUOZDQYSKM-MVMLHFPUSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4nnc(-c5ccccc5C(=O)NCCOCC(=O)N[C@H](C(=O)N5C[C@@H](O)C[C@@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBUXYCVZCMFGCQ-YFXVFWABSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4nnc(-c5ccccc5C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](O)C[C@@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUEUAHUKDHOCBD-AKSPTVPUSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4nnc(-c5ccccc5C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFRXCPKWODAGCF-NRBWFSCNSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4nnc(-c5ccccc5C(=O)NCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](O)C[C@@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGFZDPGRXCJPI-AMGANHMWSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4nnc(-c5ccccc5C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](O)C[C@@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGQPGDYNKHCHT-COSSTIFPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNQSSEWCIYJJFO-NEIWDIIBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCOCCOCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQUQTRKAUALHW-GLWWFCSCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYVASACIAXUCTA-RYGWZTPLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULFMADOYPSNKC-LQKSKDIESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQXMCYXRJTVBT-FISPUHNDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCCCCC(=O)NCCOCCOCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXMEYINUFZQNZ-INKCOVAQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOPAIIHEQAZRE-BQYQJAHWSA-N", "SMILES:NN1C(=O)/C(=C2\\C(=O)Nc3ccc(Br)cc32)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDHBRWUAQYRCT-CMDGGOBGSA-N", "SMILES:CN1C(=O)/C(=C2/SC(=S)N(N)C2=O)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMKGJQRCDYAOI-MKICQXMISA-N", "SMILES:COc1cc(/C=C/C(=O)OCCOCCNC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)ccc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAAOTLYNBYSXOU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(CSCCCCCNC(=N)NCCCc2ccc[nH]2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAJYGNYMOANPNU-UHFFFAOYSA-N", "SMILES:C=C1CC2(OC1=O)C(=O)N(CCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBXCZYZUHIUPN-ZTZVIYADSA-N", "SMILES:COC(=O)CCCCCCC/C=C/C(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C=C1C(=O)OC[C@@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNFNNUKCQHJNEE-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCc2nc(N3CCOCC3)ncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12799", "category": ["biolink:ChemicalEntity"], "name": "POMIFERIN A", "xref": ["InChIKey:WSKGRAGZAQRSED-SLFFLAALSA-N", "SMILES:CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL465423", "category": ["biolink:ChemicalEntity"], "name": "DEACETYLGEDUNIN", "xref": ["InChIKey:HCEYJYMNIQHPPK-DXTZDJJUSA-N", "SMILES:CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]3(C)[C@H](O)C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5184899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTSHHWTIGVSCR-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(Cl)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYRGKTXMOCZAM-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAEUBMFMUAKEDD-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC1CN(c2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c3nonc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZIMTQREOIHLKW-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(N2CCOCC2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQHCJTGNNMFSKP-BWTSREIZSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSZDYBUVOMWPBK-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(N2CC3CCC(C2)O3)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHOJKSYIADPGG-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(NC2CC(F)(F)C2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEYSDDKCZXJMGX-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBSZEVXDLBGRNJ-FGZHOGPDSA-N", "SMILES:CN(C)[C@@H]1CCCC[C@H]1N(C)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPDNLXVQPDAUDO-UHFFFAOYSA-N", "SMILES:CSc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYYIXUIGNZRAZ-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORGPNYYBJNDME-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2nsnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUAJYGHYRNYQB-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n[se]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQBLYDCGKJXQMO-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc3ccc(C(=O)c4ccccc4)c-3cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWHRVBXXCAZNDE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(C(=O)c3ccccc3)cc(C(=O)c3ccccc3)c-2cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXDZTPJJLZSDRV-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)c2ccc3ccc(C(=O)O)ccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHVJYFGVPIWAT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)c-2cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYMIGUUUODRJDC-UHFFFAOYSA-N", "SMILES:c1cc2ccc(CN3CCCCC3)ccc-2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZOGZGPAMDPCN-UHFFFAOYSA-N", "SMILES:COCC(=O)Nc1cc2cccccc-2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOZZBOATVCCRZ-UAPYVXQJSA-N", "SMILES:COC(=O)N1CCN([C@H]2CC[C@H](Nc3nc(Nc4cnn(C)c4)nc4ccc(C)nc34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFENAOLGJWVSCK-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nc(NC3(C)CC3)c3nc(CC#N)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBTJPMATJNNXNI-SAABIXHNSA-N", "SMILES:COC(=O)N1CCN([C@H]2CC[C@H](Nc3nc(Nc4cnn(C)c4)nc4ccn(C)c(=O)c34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGLZLKIEOLRRSD-UAPYVXQJSA-N", "SMILES:COC(=O)N1CCN([C@H]2CC[C@H](Nc3nc(Nc4cnn(C)c4)nc4ccn(CC#N)c(=O)c34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWPAUYJHMYTBP-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIAGZIFHIUIDFP-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIDQVHAUJXUJDV-UHFFFAOYSA-N", "SMILES:CN1CC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRHMEKQSBYHXGX-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRIKPOYKWFZULJ-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)N1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYHJTOBGCFKNN-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQPSGZYLYTMQG-ZBFHGGJFSA-N", "SMILES:CN1CC[C@H](n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQPSGZYLYTMQG-HOCLYGCPSA-N", "SMILES:CN1CC[C@H](n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)[C@@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRNWAQIPCYHMU-HOCLYGCPSA-N", "SMILES:C[C@H]1C[C@@H](n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRNWAQIPCYHMU-ZBFHGGJFSA-N", "SMILES:C[C@@H]1C[C@@H](n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYTSDVXPTOGNPV-QRTARXTBSA-N", "SMILES:CN1C[C@@H]2C[C@H]1C[C@@H]2n1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYTSDVXPTOGNPV-UNEWFSDZSA-N", "SMILES:CN1C[C@H]2C[C@@H]1C[C@@H]2n1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRFWKBWFXMXLPG-UHFFFAOYSA-N", "SMILES:CN1CC2(CC(n3cc(Nc4nc(NC5(C)CC5)c5c(=O)n(C)ccc5n4)cn3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTWXYOQORJJPQH-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc2nc(Nc3cnn(C4CCN(C)CC4)c3)nc(NC3(C)CC3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVYJELIEHCKTGR-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C5CC5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBKXXINBKRPTA-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C(F)F)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHVMKCWQHYDLSH-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(CC(F)F)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQXBTRKLRVCCRH-OAHLLOKOSA-N", "SMILES:C[C@@H](F)Cn1ccc2nc(Nc3cnn(C4CCN(C)CC4)c3)nc(NC3(C)CC3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQXBTRKLRVCCRH-HNNXBMFYSA-N", "SMILES:C[C@H](F)Cn1ccc2nc(Nc3cnn(C4CCN(C)CC4)c3)nc(NC3(C)CC3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQQCIQHLUQXTK-OAHLLOKOSA-N", "SMILES:C[C@H](CF)n1ccc2nc(Nc3cnn(C4CCN(C)CC4)c3)nc(NC3(C)CC3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQQCIQHLUQXTK-HNNXBMFYSA-N", "SMILES:C[C@@H](CF)n1ccc2nc(Nc3cnn(C4CCN(C)CC4)c3)nc(NC3(C)CC3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQTUBYTBBXGML-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(-c5cncnc5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNLJSSFJNRETSW-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(-c5cnn[nH]5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTKHDKXJSSGJP-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(-c5cn(C)nn5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISYEFAUMKOLOZ-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(-c5nnc[nH]5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHQUBOLROEDKO-UNEWFSDZSA-N", "SMILES:CN1C[C@H]2C[C@@H]1C[C@@H]2n1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(CC(F)F)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTGSDNUYBBJPQX-UHFFFAOYSA-N", "SMILES:CN1CC2(CC(n3cc(Nc4nc(NC5(C)CC5)c5c(=O)n(CC(F)F)ccc5n4)cn3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNDQPPUVJDHID-MGTHKWJCSA-N", "SMILES:C[C@H](F)Cn1ccc2nc(Nc3cnn([C@H]4C[C@H]5C[C@@H]4CN5C)c3)nc(NC3(C)CC3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZCLPNYLGLGFBB-HNNXBMFYSA-N", "SMILES:C[C@H](F)Cn1ccc2nc(Nc3cnn(C4CC5(C4)CN(C)C5)c3)nc(NC3(C)CC3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDOKPJBZNRNCM-UHFFFAOYSA-N", "SMILES:CN1CC2(CC(n3cc(Nc4nc(NC5(C)CC5)c5c(=O)n(-c6cn(C)nn6)ccc5n4)cn3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUUDKHVTNEDSF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4cc(CNc5ccccc5)n(C5CCCC5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHKPECHSBXGIQF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc3cc(CNc4cccc(OC)c4)n(C4CCCC4)c3n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZEUFBOMHQXBNV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc3cc(CNc4cccc(C)c4)n(C4CCCC4)c3n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWIEWCTZPUFCY-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)c1ccc(Nc2ncc3cc(CNc4ccccc4)n(C4CCCC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUVCNQRNWQXSDG-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc2cc(CNc3ccccc3)n(C3CCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQRKGAZIQZVFL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2cc(CNc3ccccc3)n(C3CCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USPLEMNMVQJOPD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc3cc(CNc4c(C)cccc4C)n(C4CCCC4)c3n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMCLZLUHJZCWCW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLLULBRBYCTHR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNABMHWGXWQSLP-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFNATBSTZPICEW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(-c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCLJKNLYEQNEIN-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(-c3ccc(O)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFATVKLJAFSIEV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(-c3cccc(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWJMFXPQCQUOLN-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(-c3ccc(OC)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNBZNNPGBFGFNI-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(-c3cccc(OC)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTPSFEHNWMFDHW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBKQEJXLNOLMCY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(Oc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKQBCSHKMAYKNR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(O)c2C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMWPRLORZMFEAU-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2onc(O)c2C(=O)Nc2cccc(-c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFFROCKPXQEEH-DHZHZOJOSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(CNc3ccccc3)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSNMAFGMOIYXIQ-JXMROGBWSA-N", "SMILES:Fc1ccccc1NCc1coc(/C=C/c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLDKDRBFRIRBR-RMKNXTFCSA-N", "SMILES:Fc1cccc(NCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTGHMBQDOQFCW-XCVCLJGOSA-N", "SMILES:Fc1ccc(NCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCNXENEFGFCKG-JXMROGBWSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(CNc3ccccc3Cl)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEASCNMPAUREFQ-RMKNXTFCSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(CNc3cccc(Cl)c3)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGJVDDXUNCEQZ-XCVCLJGOSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(CNc3ccc(Cl)cc3)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHOQUVWQBVOKEJ-JXMROGBWSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(CNc3ccccc3Br)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSDICXGXOLSBP-RMKNXTFCSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(CNc3cccc(Br)c3)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIOZIHCKXDQTLW-XCVCLJGOSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(CNc3ccc(Br)cc3)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEPXWQYPHRMSJL-DHZHZOJOSA-N", "SMILES:Cc1ccccc1NCc1coc(/C=C/c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKROJPFLFDBOF-JXMROGBWSA-N", "SMILES:Cc1cccc(NCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJQWOFFGNHVFHG-IZZDOVSWSA-N", "SMILES:Cc1ccc(NCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRVAAWPXOPHXBC-DHZHZOJOSA-N", "SMILES:COc1ccccc1NCc1coc(/C=C/c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHBAKAMXKOEGOS-NYYWCZLTSA-N", "SMILES:COc1ccc(NCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAGTSKIHAFZGZ-MDWZMJQESA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(Cn3ccc4cc(-c5ccccc5)ccc43)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUCSRRMOMZORD-KPKJPENVSA-N", "SMILES:Fc1ccccc1-c1ccc2c(ccn2Cc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYSQTOMDEHOONI-IZZDOVSWSA-N", "SMILES:Fc1cccc(-c2ccc3c(ccn3Cc3coc(/C=C/c4ccc(C(F)(F)F)cc4)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCSMJDYMUQMQHV-KGVSQERTSA-N", "SMILES:Fc1ccc(-c2ccc3c(ccn3Cc3coc(/C=C/c4ccc(C(F)(F)F)cc4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEAOSTRCYQQZDY-KPKJPENVSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(Cn3ccc4cc(-c5ccccc5Cl)ccc43)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXCTYPYGAYAMDH-IZZDOVSWSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(Cn3ccc4cc(-c5cccc(Cl)c5)ccc43)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRPRGOADNBAMIA-KGVSQERTSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(Cn3ccc4cc(-c5ccc(Cl)cc5)ccc43)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFFJOYPDJLFBBC-KPKJPENVSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(Cn3ccc4cc(-c5ccccc5Br)ccc43)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZPBNCXXDWVJL-IZZDOVSWSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(Cn3ccc4cc(-c5cccc(Br)c5)ccc43)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMWGOALWIQVCJ-KGVSQERTSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2nc(Cn3ccc4cc(-c5ccc(Br)cc5)ccc43)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARCTBDGAQJPSD-MDWZMJQESA-N", "SMILES:Cc1ccccc1-c1ccc2c(ccn2Cc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYZONNTWFHSPK-KPKJPENVSA-N", "SMILES:Cc1cccc(-c2ccc3c(ccn3Cc3coc(/C=C/c4ccc(C(F)(F)F)cc4)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIIKLMJLYXDANE-AWNIVKPZSA-N", "SMILES:Cc1ccc(-c2ccc3c(ccn3Cc3coc(/C=C/c4ccc(C(F)(F)F)cc4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZFAWGXVMQIPZ-MDWZMJQESA-N", "SMILES:COc1ccccc1-c1ccc2c(ccn2Cc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYWQBRKNKWGFU-KPKJPENVSA-N", "SMILES:COc1cccc(-c2ccc3c(ccn3Cc3coc(/C=C/c4ccc(C(F)(F)F)cc4)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMQTYWCMGSOLK-YIXHJXPBSA-N", "SMILES:COc1ccc(-c2ccc3c(ccn3Cc3coc(/C=C/c4ccc(C(F)(F)F)cc4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKIZSHLVPXZAG-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-c2ccccc2)cc1)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGJRZZQZSNHLN-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKQPTQHEUIDJV-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(F)ccc1[N+](=O)[O-])NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZPCAYSLMBKLO-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDVLVZVHRZRAM-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1C(F)(F)F)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVAIPRSGJQDIC-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc(C)c1OCC(=O)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQTWXRMDHUUQG-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cc2ccccc2)cc1)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXCXYERTOFOPQT-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(CCc2ccccc2)cc1)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWIIBXDVVYQCP-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWJWMJSYPDQVAD-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLQZKUKATZVAQ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-c2ccccc2)cc1)NCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIPUHFMEXYWVPD-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFMKGNKNBKYFSY-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(F)ccc1[N+](=O)[O-])NCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBLNVKTYUBMWMT-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc([N+](=O)[O-])cc1)NCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVPDBXVSZHOTFR-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1C(F)(F)F)NCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICWISHUNHXKOMC-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc(C)c1OCC(=O)NCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HURQPHROLGROAJ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cc2ccccc2)cc1)NCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRWJEVUHKGNJHE-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(CCc2ccccc2)cc1)NCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQWLATYSYQROLX-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJIIKPBRJPXZMA-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYHKHZROFSQOS-UHFFFAOYSA-N", "SMILES:c1c(CN2CCCCCC2)c(-c2cc3ccc4c(c3cn2)OCO4)cc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZQKKBHRPQCGSA-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHGHMFGBCMNAIY-UHFFFAOYSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)C1(CCOCC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKPDWFCATRKUBL-UHFFFAOYSA-N", "SMILES:Cc1cc2nccnc2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTHNHKCWJYWJMT-UHFFFAOYSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCIOTONDDRFEAE-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPJCWYAIWRHLD-UHFFFAOYSA-N", "SMILES:CCN1C(=O)CN(C2CCOCC2)c2nc(Nc3cn4ncnc4cc3C)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOIKTWRDHPKHIO-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCYIXVCVCPRDJ-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMZSYAJNRGXIO-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCC(OCC(F)F)CC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJSYEADMWUGBE-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCOCC1)C(=O)N2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNXWYCTZHCGSBJ-UHFFFAOYSA-N", "SMILES:CCN1C(=O)C2(CCOCC2)c2nc(Nc3cn4ncnc4cc3C)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKLBMFTVXPRXDX-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWHABRTYTDTRMY-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)C(C)(C)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCAXYSFQVRHORG-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])N1C(=O)C2(CCOCC2)c2nc(Nc3cn4ncnc4cc3C)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBOAHALWBGVEJ-IQDHUJFCSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C/C(=C\\c1ccccc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBOAHALWBGVEJ-FOGVGNAISA-N", "SMILES:O[C@H](CN1[C@@H]2CC[C@H]1C/C(=C/c1ccccc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBOAHALWBGVEJ-OICSWZIXSA-N", "SMILES:O[C@H](CN1[C@@H]2CC[C@H]1C/C(=C\\c1ccccc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBOAHALWBGVEJ-TZQBRXFOSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C/C(=C/c1ccccc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKIFANVEMXIBS-LGNPHWTCSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C/C(=C\\c1ccc(F)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKIFANVEMXIBS-KWRBWPEDSA-N", "SMILES:O[C@H](CN1[C@@H]2CC[C@H]1C/C(=C/c1ccc(F)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKIFANVEMXIBS-IRGFDVRSSA-N", "SMILES:O[C@H](CN1[C@@H]2CC[C@H]1C/C(=C\\c1ccc(F)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKIFANVEMXIBS-BKUUIBJRSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C/C(=C/c1ccc(F)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOFCYGYTNTVAK-LGNPHWTCSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C/C(=C\\c1ccc(Cl)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOFCYGYTNTVAK-KWRBWPEDSA-N", "SMILES:O[C@H](CN1[C@@H]2CC[C@H]1C/C(=C/c1ccc(Cl)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOFCYGYTNTVAK-IRGFDVRSSA-N", "SMILES:O[C@H](CN1[C@@H]2CC[C@H]1C/C(=C\\c1ccc(Cl)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOFCYGYTNTVAK-BKUUIBJRSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C/C(=C/c1ccc(Cl)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOHGGNVLXAIIFN-LGNPHWTCSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C/C(=C\\c1ccccc1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOHGGNVLXAIIFN-BKUUIBJRSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C/C(=C/c1ccccc1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWCEAQXZGTROM-SGUYPJSFSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C/C(=C\\c1ccc(F)cc1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWCEAQXZGTROM-UXXMESMYSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C/C(=C/c1ccc(F)cc1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISPCYIDMOQVLW-UVUJQTEASA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C[C@H](Cc1ccccc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISPCYIDMOQVLW-FVTFTPSCSA-N", "SMILES:O[C@H](CN1[C@@H]2CC[C@H]1C[C@@H](Cc1ccccc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISPCYIDMOQVLW-FKVLARQCSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C[C@@H](Cc1ccccc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISPCYIDMOQVLW-PSWRPDDJSA-N", "SMILES:O[C@H](CN1[C@@H]2CC[C@H]1C[C@H](Cc1ccccc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQMGWVHHXRWKF-MVWVFHAYSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C[C@H](Cc1ccc(F)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQMGWVHHXRWKF-XYEHWOGUSA-N", "SMILES:O[C@H](CN1[C@@H]2CC[C@H]1C[C@@H](Cc1ccc(F)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQMGWVHHXRWKF-XGARDCMYSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C[C@@H](Cc1ccc(F)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQMGWVHHXRWKF-HLRQEUIKSA-N", "SMILES:O[C@H](CN1[C@@H]2CC[C@H]1C[C@H](Cc1ccc(F)cc1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFIVTCWEUXIBV-MVWVFHAYSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C[C@H](Cc1ccccc1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFIVTCWEUXIBV-XGARDCMYSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C[C@@H](Cc1ccccc1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJHQVKMJDLRRC-ZIPUMODLSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C[C@H](Cc1ccc(F)cc1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJHQVKMJDLRRC-AEMJNJESSA-N", "SMILES:O[C@@H](CN1[C@@H]2CC[C@H]1C[C@@H](Cc1ccc(F)cc1)C2)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462894", "category": ["biolink:ChemicalEntity"], "name": "GENIPOSIDE", "xref": ["InChIKey:IBFYXTRXDNAPMM-BVTMAQQCSA-N", "SMILES:COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL460031", "category": ["biolink:ChemicalEntity"], "name": "GENIPOSIDIC ACID", "xref": ["InChIKey:ZJDOESGVOWAULF-OGJQONSISA-N", "SMILES:O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5190315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJVJSIBMTMIANL-VEXIPRMPSA-N", "SMILES:COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC1OC12CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5182322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZKVWQKMDGGDSV-ZGZNTOLTSA-N", "SMILES:COC(=O)C1=COC(O)[C@@H]2C(CO)=CC[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5174840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZMBIDOHHHULAB-STFQFMMHSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWOTZNOCLYNXLK-XLLFRRRKSA-N", "SMILES:CCC(=O)OCC1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](COC(=O)CC)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]3OC(=O)CC)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCVWMVSEMUOROB-FWEHOHBESA-N", "SMILES:CCCC(=O)OCC1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](COC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]3OC(=O)CCC)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFEHNAGHZZIPIM-DSJARIJYSA-N", "SMILES:CC(C)CC(=O)OCC1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](COC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@H]3OC(=O)CC(C)C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGWCMMWZBMKKO-VVGUWLOASA-N", "SMILES:CC(C)(C)C(=O)OCC1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3OC(=O)C(C)(C)C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLJWIVYTSOGSA-HNVBAWDGSA-N", "SMILES:CCNC(=O)OCC1=CC[C@@H]2C(C(=O)OC)=COC(OC(=O)NCC)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGPSVBLKINOJH-KQSHLBLPSA-N", "SMILES:COC(=O)C1=COC(OC(=O)NC(C)C)[C@@H]2C(COC(=O)NC(C)C)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQXALUBVIOARBJ-KQSHLBLPSA-N", "SMILES:COC(=O)C1=COC(OC(=O)NC(C)(C)C)[C@@H]2C(COC(=O)NC(C)(C)C)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDTHTUFPKRONBE-KQSHLBLPSA-N", "SMILES:COC(=O)C1=COC(OC(=O)NCCCCl)[C@@H]2C(COC(=O)NCCCCl)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQQNSDQWKHIEQ-FLSDUMPPSA-N", "SMILES:COC(=O)C1=COC(OC(=O)Nc2ccccc2Br)[C@@H]2C(COC(=O)Nc3ccccc3Br)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLYMGMSHYVBEU-CKALXEAQSA-N", "SMILES:COC(=O)C1=COC(OC(=O)NC2CCCCC2)[C@@H]2C(COC(=O)NC3CCCCC3)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZIHZHNCHHFIIC-HDOOXHBUSA-N", "SMILES:COC(=O)C1=COC(OC(=O)Nc2ccc(C)cc2)[C@@H]2C(COC(=O)Nc3ccc(C)cc3)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPVVAQRQMUEQSJ-HDOOXHBUSA-N", "SMILES:COC(=O)C1=COC(OC(=O)Nc2cccc(C)c2)[C@@H]2C(COC(=O)Nc3cccc(C)c3)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFRBMOVSSAUXOX-HDOOXHBUSA-N", "SMILES:COC(=O)C1=COC(OC(=O)Nc2ccc(OC)cc2)[C@@H]2C(COC(=O)Nc3ccc(OC)cc3)=CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEOOAYJMBVNHFW-NAVWFSHISA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)SCc3ccccc3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMAOPTTXQNYKCU-CMNBXATDSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Sc3cccs3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLSZMBWLQEIQB-RVLABJBRSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Sc3ncc[nH]3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGLDKVXEXDWYTH-RVLABJBRSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)SC3=NCCS3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCWUNTZFOAFFW-VVGUWLOASA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Sc3ccncc3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XILIDYYSNIOQEI-NAVWFSHISA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Oc3cccc(C#N)c3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGNFBPYUUAHHMT-VVGUWLOASA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Oc3ccncc3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKYJBLETNZDCF-XCORTZNKSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Oc3cncc4ccccc34)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUNXPHIXCJOOC-QSGYYAINSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)On3cccn3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZMDICXBVXIJL-RYOJAMIISA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nn3cccc3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPMHFENUIVQXDF-YIXPDJLGSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nn3ncc4ccccc43)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRGTVTKQKKMZRG-RVLABJBRSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nc3ncco3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHORPYABBFUYQT-CZDNGCRJSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nc3ccccc3-c3ccccc3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADKPNTVGHBWHV-FGAMQBJCSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nc3cccc4[nH]ccc34)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQBNFNTVJPEWSV-QSGYYAINSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)NCCC#N)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDMFQGHVBQENED-ATIJACQUSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nc3ccc(Br)c4ccccc34)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOFFBCBROLAMW-JIFVCJRDSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nc3ccc(C(=O)O)cc3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AESRBFZORGALSH-PLEJFHHTSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nc3cccc(F)c3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMRMVDOEMJPSPY-NAVWFSHISA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nc3ccc(C#N)cc3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYHZGPSUGSWOFT-PLEJFHHTSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)NCc3ccncc3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNJMBIIDZEYBY-STFQFMMHSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nc3nn[nH]n3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQBASCKMKXBGOM-XCORTZNKSA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nc3cncc4ccccc34)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSJXMVOLGCTKMS-MZNHOADISA-N", "SMILES:CC(=O)OCC1=CC[C@@H]2C(C(=O)Nc3ccc(C(=O)NCC(=O)O)cc3)=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJBGZJAGZSMJI-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1ccc(Cn2c(=S)[nH]c3ccsc3c2=O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLPIYBKBHMZCJI-DOTOQJQBSA-N", "SMILES:CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBUVDDPUURMFOX-SAABIXHNSA-N", "SMILES:C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297488", "category": ["biolink:ChemicalEntity"], "name": "CT-7001", "xref": ["InChIKey:YCVGLKWJKIKVBI-MJGOQNOKSA-N", "SMILES:CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12"], "synonym": ["Samuraciclib", "Ct-7001", "Ct7001", "Samuraciclib", "CT-7001", "CT7001", "ICEC-0942", "ICEC0942"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXVSBSNCYBNFT-OMCISZLKSA-N", "SMILES:CN(C)/C=C/CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cc5ccccc5[nH]4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPNQPJQHHEZSX-NWQVDFPHSA-N", "SMILES:CN(C)/C=C/CC(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOBGSLHYZGBMER-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCOCCOCCNC(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQCYQXBCOTDAQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCCCCCNC(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYBFZZVFZDITO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCOCCC(=O)NCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNVHWIFTYIGTMQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGXCHVXCUMEKET-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOFBJYOJZUEKE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXMYXYXPHSRBPH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFBEIAQWKBNSQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYWXAMJQYWVAE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCCCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQACFXEDGTPFK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCCCCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARQSLYQQYNWOY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCC(=O)NCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHQAHCPJPPRAZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCCC(=O)NCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNFSYNINHXEOV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCCCC(=O)NCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITWCZRRVOFHFQP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCCCCC(=O)NCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWKKMOMWTNYCDX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCCCCCCC(=O)NCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICEVNRKUNAGWBT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C(=S)SCCCCCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQQTJAEIVJFIC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C(=S)SCCCCCCCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEOFQWSPTYRFA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCC(=O)Nc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJVFOYABCGOCG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(CCCCC(=O)Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2OC)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNCLNCFOGMZULV-MRXNPFEDSA-N", "SMILES:CN1CCN(c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZDBUWPPVZCIKN-HXUWFJFHSA-N", "SMILES:Fc1ccc(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOUPVYQTKKURFZ-HXUWFJFHSA-N", "SMILES:Cc1ccc(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCUPDYPACKRPU-QGZVFWFLSA-N", "SMILES:Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4cn[nH]c4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVUIQOVZOSFQW-QGZVFWFLSA-N", "SMILES:Cn1cc(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVTJCZDMWVSVCF-QGZVFWFLSA-N", "SMILES:Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4cnn(C(F)F)c4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNFLNRPIIXRTO-HXUWFJFHSA-N", "SMILES:Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4cnn(C5COC5)c4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXVCLKXUKQGHEV-GOSISDBHSA-N", "SMILES:FCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(-c3cn[nH]c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUDXUDKFJOVZTH-QGZVFWFLSA-N", "SMILES:Fc1ccc(OCC(F)F)c([C@H]2CCCN2c2ccn3ncc(-c4cn[nH]c4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCHNGQQCCVPJH-QGZVFWFLSA-N", "SMILES:Fc1ccc(OCC(F)(F)F)c([C@H]2CCCN2c2ccn3ncc(-c4cn[nH]c4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARPTDQIBWRNNB-UHFFFAOYSA-N", "SMILES:CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)cc1NC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMWHVTDZNIVNIE-IVGNLCKYSA-N", "SMILES:O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONQBYLNYTIHEBE-WCFRLSLOSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCC(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKYMJBZDMYOADP-YLZPNBJSSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCS(=O)(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEIYISFOWXNDHI-RNYQJTIOSA-N", "SMILES:Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCCC(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWGWAASIOJSFB-UFJWZKLXSA-N", "SMILES:Cl.O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\OCC(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVMLKMIELQBRT-WCFRLSLOSA-N", "SMILES:Cl.O=C1Nc2ccc(Cl)cc2/C1=C1/Nc2ccccc2/C1=N\\OCC(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMXULIMZWYAQJ-WCFRLSLOSA-N", "SMILES:Cl.O=C1Nc2ccc(Br)cc2/C1=C1/Nc2ccccc2/C1=N\\OCC(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHNHRXOFNBMQL-WCFRLSLOSA-N", "SMILES:Cl.O=C1Nc2ccc(I)cc2/C1=C1/Nc2ccccc2/C1=N\\OCC(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWQOCFMQURTRFV-XUAPAYBYSA-N", "SMILES:COc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\\OCC(=O)N1CCNCC1)C(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORCTZCRRKNIFON-YEUVAOSHSA-N", "SMILES:Cl.O=C1Nc2ccc(OC(F)(F)F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCC(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZMVCYZYLZODS-RNYQJTIOSA-N", "SMILES:Cl.O=C(CO/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccccc2/1)NC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJSLVRQQYIOKO-XUAPAYBYSA-N", "SMILES:Cl.NC1CCN(C(=O)CO/N=C2C(=C3/C(=O)Nc4ccccc43)/Nc3ccccc3/2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGZMQGFDBCQMGY-GMNPBYEVSA-N", "SMILES:CN1CCN(C(=O)CO/N=C2C(=C3/C(=O)Nc4ccccc43)/Nc3ccccc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLYQMHLCRMZNGB-WCYAJEHWSA-N", "SMILES:CN1CCC(NC(=O)CO/N=C2C(=C3/C(=O)Nc4ccccc43)/Nc3ccccc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZBMYQXCUCSISJ-MJDDTXSZSA-N", "SMILES:Cl.O=C(CO/N=C1C(=C2/C(=O)Nc3ccc(F)cc32)/Nc2ccccc2/1)NC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOOLAFOXNFTUHX-RNYQJTIOSA-N", "SMILES:Cl.NC1CCN(C(=O)CO/N=C2C(=C3/C(=O)Nc4ccc(F)cc43)/Nc3ccccc3/2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHMYCOXSTNNVHC-XUAPAYBYSA-N", "SMILES:CN1CCN(C(=O)CO/N=C2C(=C3/C(=O)Nc4ccc(F)cc43)/Nc3ccccc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSBSCROZNGYFP-IWTCCTBESA-N", "SMILES:CN1CCC(NC(=O)CO/N=C2C(=C3/C(=O)Nc4ccc(F)cc43)/Nc3ccccc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSOSAFZBAHWXFX-MJDDTXSZSA-N", "SMILES:Cl.O=C(CO/N=C1C(=C2/C(=O)Nc3ccc(Cl)cc32)/Nc2ccccc2/1)NC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXGGKVBEBWDGZ-RNYQJTIOSA-N", "SMILES:Cl.NC1CCN(C(=O)CO/N=C2C(=C3/C(=O)Nc4ccc(Cl)cc43)/Nc3ccccc3/2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBYYJBVFCNCFE-XUAPAYBYSA-N", "SMILES:CN1CCN(C(=O)CO/N=C2C(=C3/C(=O)Nc4ccc(Cl)cc43)/Nc3ccccc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEERAYQLLHSNSK-IWTCCTBESA-N", "SMILES:CN1CCC(NC(=O)CO/N=C2C(=C3/C(=O)Nc4ccc(Cl)cc43)/Nc3ccccc3/2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOUUDISTGUOAQ-MNEBBRPYSA-N", "SMILES:Cl.O=C(CO/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccccc2/1)N[C@@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDJYCVCVOTXQQE-DZKCPLNDSA-N", "SMILES:CN1CC[C@H](NC(=O)CO/N=C2C(=C3/C(=O)Nc4ccccc43)/Nc3ccccc3/2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOUUDISTGUOAQ-BNWSBJSHSA-N", "SMILES:Cl.O=C(CO/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccccc2/1)N[C@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOTFICPMXGAEPW-YLZPNBJSSA-N", "SMILES:Cl.O=C(CO/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccccc2/1)NC1CNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDJYCVCVOTXQQE-PMWMLURESA-N", "SMILES:CN1CC[C@@H](NC(=O)CO/N=C2C(=C3/C(=O)Nc4ccccc43)/Nc3ccccc3/2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYGUCKIEDYTJAL-UFJWZKLXSA-N", "SMILES:CN1CC(NC(=O)CO/N=C2C(=C3/C(=O)Nc4ccccc43)/Nc3ccccc3/2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFPIZVFKSJHPB-NHLUDNGBSA-N", "SMILES:Cl.O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\OCS(=O)(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJUFXZITHUUOS-XUAPAYBYSA-N", "SMILES:Cl.O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\OCCC(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEMROMBXOBJJU-BIOOAKQFSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJVMBFACBLCAA-RDJZCZTQSA-N", "SMILES:CC(C)(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486986", "category": ["biolink:ChemicalEntity"], "name": "POMOLIC ACID", "xref": ["InChIKey:ZZTYPLSBNNGEIS-OPAXANQDSA-N", "SMILES:C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL239075", "category": ["biolink:ChemicalEntity"], "name": "EUSCAPHIC ACID", "xref": ["InChIKey:OXVUXGFZHDKYLS-QUFHAEKXSA-N", "SMILES:C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5207388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVZSZBQAZPKNI-IEGIENCHSA-N", "SMILES:C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL485459", "category": ["biolink:ChemicalEntity"], "name": "TRIPTOCALLIC ACID A", "xref": ["InChIKey:IWVWTVWLRSUYNC-BDQDAIHRSA-N", "SMILES:C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@@H](O)C[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL399873", "category": ["biolink:ChemicalEntity"], "name": "UVAOL", "xref": ["InChIKey:XUARCIYIVXVTAE-ZAPOICBTSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5182295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VULLSLYDWNGNKZ-VVEUJWIUSA-N", "SMILES:C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL239077", "category": ["biolink:ChemicalEntity"], "name": "TOMENTIC ACID", "xref": ["InChIKey:OXVUXGFZHDKYLS-BLIWDXROSA-N", "SMILES:C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5178227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJTCIHDRDLBAGL-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(OCC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNDELCPTPJKGL-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(OCC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGNGDGWDOFCPT-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(OCC2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEHBIQLFBDRLMB-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(OCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXUTHMJYRUHJT-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(OCc2cncs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AELPJNFNRYUNNH-UHFFFAOYSA-N", "SMILES:COc1cc(OCC2CCCCC2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTTIANLXFZUBAM-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc3ccccc23)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNSSWNYHHMOXCR-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2ccccc2F)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSOUNQHPJFJTGF-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(OCC2CCCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLOWWMKTNSPEAY-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(OCC2CCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBKKGOVCGYZDCH-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(OCc2cccc(Br)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUATYPASZRYFMP-UHFFFAOYSA-N", "SMILES:COc1ccccc1COc1ccc(C(N)=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCAWJIMDNGAMRA-UHFFFAOYSA-N", "SMILES:O=c1[nH][nH]c(=O)c2cc(OCC3CCCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMPACVVSQUMHL-UHFFFAOYSA-N", "SMILES:O=c1[nH][nH]c(=O)c2cc(OCC3CCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPKIJXVHHDLCZ-UHFFFAOYSA-N", "SMILES:O=c1[nH][nH]c(=O)c2cc(OCC3CCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURJTWHWLCVJAK-UHFFFAOYSA-N", "SMILES:O=c1[nH][nH]c(=O)c2cc(OCC3CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHSGGNATXZXDTA-UHFFFAOYSA-N", "SMILES:O=c1[nH][nH]c(=O)c2cc(OCc3cccc(Br)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJJIICZAOJXOEJ-UHFFFAOYSA-N", "SMILES:O=c1[nH][nH]c(=O)c2cc(OCc3ccccc3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFKWWUGSOVDNFF-UHFFFAOYSA-N", "SMILES:O=c1[nH][nH]c(=O)c2cc(OCc3ccsc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCVIUNLASFRSY-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(Br)c2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRECINGNBPANGK-UHFFFAOYSA-N", "SMILES:CC#Cc1ccc2c(=O)[nH]c(CSc3ncccn3)nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095043", "category": ["biolink:ChemicalEntity"], "name": "ATAMPARIB", "xref": ["InChIKey:UQZCQKXJAXKZQH-LBPRGKRZSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"], "synonym": ["Atamparib", "Atamparib", "Rbn 2397", "Rbn-2397", "RBN-2397", "RBN2397", "Atamparib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZDEFKPZSLQRF-MQMHXKEQSA-N", "SMILES:O=c1[nH]c(CS[C@H]2CC[C@H](O)CC2)nc2cc(OCC3CC3)cc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1438938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZRCQWLPMXFGHE-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWBWMHNRNWQRA-AWEZNQCLSA-N", "SMILES:Cc1cccc(C(=O)N[C@H](C(N)=O)C(=O)c2ccc3c(=O)[nH][nH]c(=O)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOKDBZPQLCUKAX-UHFFFAOYSA-N", "SMILES:N.O=C(O)c1cc(-c2ccc(CNCc3ccccc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTWVZQNSIVDPO-UHFFFAOYSA-N", "SMILES:N.O=C(O)c1cc(-c2ccc(CNCc3ccc([N+](=O)[O-])cc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGGSJNUKNSYVTC-UHFFFAOYSA-N", "SMILES:N.O=C(O)c1cc(-c2ccc(CNCc3ccc(O)cc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCOLDOJVFXBKW-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCc2ccc(-c3ccc(O)c(C(=O)O)c3)o2)cc1.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZEHUXBUKNEBEO-UHFFFAOYSA-N", "SMILES:N.O=C(O)c1cc(-c2ccc(CNCc3cccnc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIFCSESNLGYYPP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(CN3CCCCC3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYEKBFDCMORSFM-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHXINROGSSELN-UHFFFAOYSA-N", "SMILES:N.O=C(O)c1cc(-c2ccc(CNc3ccc(Br)cc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFSGOSUWBFFDMS-UHFFFAOYSA-N", "SMILES:N.O=C(O)c1cc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBLNPPNIIAMDSB-UHFFFAOYSA-N", "SMILES:C#CCCCC(=O)Nc1ccc(C(=O)c2ccc(NCc3ccc(-c4ccc(O)c(C(=O)O)c4)o3)cc2)cc1.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAERRSOCYPNKIO-UHFFFAOYSA-N", "SMILES:C#CCNCc1ccc(-c2ccc(O)c(C(=O)O)c2)o1.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHIULJMKCWQDF-UHFFFAOYSA-N", "SMILES:N.N.O=C(O)c1cc(-c2ccc(CN(Cc3ccccc3)Cc3ccc(-c4ccc(O)c(C(=O)O)c4)o3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDGWQHTCISIHH-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1)Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWLBYTCTLVBDCO-UHFFFAOYSA-N", "SMILES:CCN(CC)CC.O=C(O)c1cc(-c2ccc(CN(Cc3ccccc3)Cc3ccco3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKFVNRCHVCBLC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2cccnc12)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANAQCVXUMUTPJY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RODXMULJGHZYKD-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(NC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOOUBWKFXDCRA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVRVKAMGYYHFJO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMQSJAXTECVSJT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXANDIUMTJKCEI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAVGSHVHWKPCPP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVRTMBMCWYGAL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKOPGLTYQDISY-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(C(=O)c4cc5cccc(C(N)=O)c5o4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPMMBHUCJJIJV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(NC(=O)C3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRILHBXTQQAQD-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2CCN(CC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQTVRZZEJIEHGP-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDKHHYDZUATHI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(CO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNBIWOOGIBMRBD-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Br)c(F)c2)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLQUXIMIFKTJV-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Br)c(Br)c2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWNOJJMKTZQJJR-UHFFFAOYSA-N", "SMILES:Brc1cccc(-c2ncc(OCC3CCNCC3)nc2-c2cccc(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWLAWQZTAUCRPM-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXDXLUPCZFJKO-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTHXQUMIYFVOHA-UHFFFAOYSA-N", "SMILES:NC1CCC(COc2cnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWIRQOZGXGOPMI-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2ncc(OCC3CCNC3)nc2-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USJCTMANOKLICO-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGZKIOPJGFQDSR-QGSWMBNESA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCOBSIIMJFMODM-VHEBQXMUSA-N", "SMILES:COc1ccccc1/N=N/C(=O)COc1ccc(Cl)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCADUBNQOZHYJY-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWWFWTYSQYGSDN-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDGOMLARDHIJNO-UHFFFAOYSA-N", "SMILES:Cc1ccsc1C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCDOVJCDZMFTR-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKOIUORCFUIOJD-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLPLQBNAPZRIGQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIUJBRSRDOAHQK-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCIXYMRGHKXHNQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYIVBURJZMIGMV-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBUKCGFBCBZBH-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJIXUMSLUBBKOO-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYJIAIEFRYAAG-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQYJCHKHMSEOH-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(C(F)(F)F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHFZBYJHHDACS-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(I)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQXVFUSGQJDJJE-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)c(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSUGANNKVLAKDZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKJKMVQNZNFCHQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(Br)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGBZPLYHWJQBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(Cl)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUMUAWNKJBCBMU-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(Cl)ccc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYSURQGTUFVYBM-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(Cl)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJDKFWRHGDPQTH-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(Cl)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXHOVMOLRFUCA-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNEAFIMABTZHBF-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(Br)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMSBYHMWAIYJGY-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(I)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVCBZZLSDFLDM-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(F)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRAMQKWCSJHHNU-UHFFFAOYSA-N", "SMILES:O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(F)ccc1I"]}
{"name": "Anoctamin-2", "xref": ["CHEMBL.TARGET:CHEMBL4105767"], "id": "UniProtKB:Q9NQ90", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMYXEVWODSLAX-IHHJHRHRSA-N", "SMILES:N=C1N[C@H](O)C2C3OC4(O)OC(C(O)C2(N1)C4O)C3(O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1458880", "category": ["biolink:ChemicalEntity"], "name": "CADMIUM DICHLORIDE"}
{"id": "CHEMBL.COMPOUND:CHEMBL1232432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFDMPHIONBOKZ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCQFLMFZIICRT-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCNCC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZEBWNUWNIQDCX-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUWXKUJTDDLQP-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CCc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLMZFKJTDDDQH-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CCCc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVCMETJEVAIXSI-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4cccc5ccccc45)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQFERXHHSHKOB-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKDCWZQOYSBNAE-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccc(-c5ccccc5)cc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGVXQYQAOSCBG-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCN(C(=O)c4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTWBRPVKJXEBR-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESZCCPLVFYBMF-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccccc4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXSQTUAKUSHIBV-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NCC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBPGIZBVJIBSO-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NCCCNc3ccccc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATSDCVSNMRNCF-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)C)nc(NCCNc3cccc4ccccc34)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMXYXMQFGWCTDH-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNYGHETYMLXJTD-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDCYLLEDSGQEA-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWXYEQITSXVFDV-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN(C)Cc3ccccc3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGVZOPDYOPZAB-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCNc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(OC)c(OC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBPRBNRVPWGYDA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(OC)c(OC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIZBQXXOLNPHSO-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN3CCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKAXHFHMJFPVDU-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN3CCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKYMUOQDBRVKO-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN3CCOCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTROCWLWUVDATG-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCN3CCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDITTSJGFSWMG-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NC3CCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGAMTOZPBKKHP-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N(C)CCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLMKFAVBRRFUGX-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCCN(C)C)nc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMGDAFUDDXYEO-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCCNc3cccc4ccccc34)nc(NCCCN(C)C)nc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPLHASLIOXVGS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVDLEXWAPYWDT-LJQANCHMSA-N", "SMILES:Cc1ccc(-c2ncc(OC[C@@H]3CCNC3)cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMEUHPWGPJFKLD-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc(N(C)C3CCCC3)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJZMJJJDAJFPJX-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)c2ccn(C(C)C)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJCPQWZBLRFOMD-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccncc2)nc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGVTYHNKQRPTBZ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)c(CNC(=O)c2cc(-c3ccncc3)nc3c2cnn3C(C)C)c(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSDIDGKZEPMSHC-FRQYIUQJSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)CC3)nc2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGEIYKAMTWPMSB-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3c2C(C)CN3C2CCOCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIBOHIVIFEGAI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc3c(c(-c4ccc(N5CCNCC5)cc4)c2)OC(C)(C)C3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUADPKQHLDXMLK-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(NC(C)C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCTUWQVALLDHR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSTSCQAGPZORCN-BGXSWWFZSA-N", "SMILES:[2H]C([2H])(NC(=O)c1c(C)n([C@H](C)C2CCC(OC)CC2)c2ccccc12)c1c(SC)cc(C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUSFWLSUSLFIZ-IWFQWQQFSA-N", "SMILES:[2H]C([2H])([2H])Sc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(OC)CC2)c2ccc(-c3cnn(C)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLCNJEUBBWHSAA-COLOXBMXSA-N", "SMILES:CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2c(c1C)O[C@@](C)([C@H]1CC[C@H](N(C)C)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCUBOIQTKFYDJW-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)c(CNC(=O)c2cc(Cl)c3c(c2C)OC(C)(C2CCC(N4CC(OC5CC5)C4)CC2)O3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBITZLMCDYBANM-JAGNJQOISA-N", "SMILES:CSc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)c3c(c(C)c2C1=O)O[C@@](C)([C@H]1CC[C@H](N(C)C)CC1)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCXFQOXVZKGYFG-LVGPLGPFSA-N", "SMILES:Cc1cc(C)c(CN2CCc3c(Br)c4c(c(C)c3C2=O)OC(C)([C@H]2CC[C@H](N(C)C)CC2)O4)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMKRZLAAOHUFQC-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(=O)[nH]c(C)c3[nH]ccc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFPSFENQCNMITC-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCOCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPDHFZWEDPGHA-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CN1CCn2ccc3cc(-c4c(C)noc4C)c(Cl)c(c32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFXVVMNRMYZZOJ-GQCTYLIASA-N", "SMILES:CCN(c1cc(Cl)cc2c1C/C=C/CCc1cc(C)[nH]c(=O)c1CNC2=O)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMEHYYSZFIACDD-FNORWQNLSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)CNC(=O)c1cc(Cl)cc3c1c(cn3C(C)C)/C=C/CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMAFAVDEQFGQCC-GQCTYLIASA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)CNC(=O)c1cc(-c3ccc(N4CCNCC4)nc3)cc3c1c(cn3C(C)C)C/C=C/CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCDDMQLPMMUTOY-NZDXKKTCSA-N", "SMILES:C/C=C(/c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JICRWEWBJPMGQL-WGSAOQKQSA-N", "SMILES:Cc1cc(=O)c(CNC(=O)c2cc(Cl)cc(O[C@H]3CC[C@H](N(C)C)CC3)c2C)c(C)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONGLVKUUEUYJSJ-BXWFABGCSA-N", "SMILES:C[C@H](C(=O)NC1COC1)c1cnc(NC[C@H]2CC[C@H](Nc3ccc4ccnc(Cl)c4n3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCKTSGGYXUQDN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCOCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)c3c(cnn3C(C)C)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLXWIHGQLIKJAP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1c(C)cc(C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBBVNPNLRARJIJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1nn(Cc2ccc(-c3ccccc3)cc2)c(C)c1C(=O)NCc1c(C)cc(C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHAQDAXXYJDDMW-MEMLXQNLSA-N", "SMILES:CCN(c1cc(Cl)cc(C(=O)NCc2c[nH]c(C)cc2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGPHEVRVQIAFDI-MEMLXQNLSA-N", "SMILES:CCN(c1cc(Br)cc(C(=O)NCc2c[nH]c(C)cc2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPWDEZQGCGOTLX-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(Cl)cc(C)c[n+]2[O-])c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVECETZAGYRDPF-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1CNN2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRKMWHZEQVMBY-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)n(C)c(=O)c1CN(C)C(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1CNN2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4597193", "category": ["biolink:ChemicalEntity"], "name": "VALEMETOSTAT", "xref": ["InChIKey:SSDRNUPMYCFXGM-UYPAYLBCSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(Cl)c3c(c2C)O[C@@](C)([C@H]2CC[C@H](N(C)C)CC2)O3)c(=O)[nH]1"], "synonym": ["Valemetostat", "Valemetostat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHJLMVBYELJCLC-UYPAYLBCSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(Br)c3c(c2C)O[C@@](C)([C@H]2CC[C@H](N(C)C)CC2)O3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGABIBYFHYMJLY-SFWBYWLOSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)CNC(=O)c1cc(Cl)cc(O[C@H]3CC[C@H](N)CC3)c1C/C=C/CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGABIBYFHYMJLY-QBLYMPTFSA-N", "SMILES:Cc1cc2c(c(=O)[nH]1)CNC(=O)c1cc(Cl)cc(O[C@H]3CC[C@H](N)CC3)c1C/C=C\\CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAYHRYAVXZWUIJ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(OCCOC)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQFINGFCBFHOPE-WXUXXXNLSA-N", "SMILES:CCN(c1cc(C#CCN2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)CCOC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYWTCVDQLRSRJ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(C#CC2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYXHNVDPHJGIC-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)C(N2CCOCC2)CC3)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMJXKCWHMTACI-HXUWFJFHSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c([C@H](C)CC)ncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCKVJJBMDCADSJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(N3CCN(C)CC3)nc2)c2ccc(C(=O)NCc3c(OC(C)C)cc(C)[nH]c3=O)c(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMXPJGSPYKKKO-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)cc2)cc2c1ccc(=O)n2C(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFAJKFVMQUEPQ-UHFFFAOYSA-N", "SMILES:CCC(C)n1cc(C)c2c(C(=O)NCC3=C(O)NN(CC)C3C)cc(-c3ccc(N4CCNCC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQDSSXUQHUNJLJ-UHFFFAOYSA-N", "SMILES:CCC(C)n1cc(C)c2c(C(=O)NCc3c(O)nn(CC)c3C)cc(-c3ccc(N4CCNCC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMZHMYWXZCWMOM-UHFFFAOYSA-N", "SMILES:C=CCC1(S(=O)(=O)n2nc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPGCNDYXBLQTHL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2ccc(C(C)c3ccccc3)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVKHXUWVSLZMMY-GOSISDBHSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)c3ccccc3)c3ccccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVVKUBXTOUPLCI-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C)C(C(F)(F)F)C2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCZYCXICUWIDC-HZCBDIJESA-N", "SMILES:CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(CC)[C@H]1CC[C@H](N2CC(OC)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLFCUKAPURTRAC-UHFFFAOYSA-N", "SMILES:COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKZJIMGHZBSAN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNIVRZVCVETGS-UHFFFAOYSA-N", "SMILES:C=C(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ccn12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLZIUVJFHIONDO-UHFFFAOYSA-N", "SMILES:CCN(c1cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)nc2c(-c3ccnc(NC)c3)cnn12)C1CCN(CC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRGSPQEIRTLEG-UHFFFAOYSA-N", "SMILES:CCN(c1cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)nc2c(-c3ccnc(N(C)C)c3)cnn12)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDQFRHVZVMAXPN-OGESRWMOSA-N", "SMILES:CCN(c1cc(-c2cnc(N3CCN(C)CC3)nc2)cc2c(NCc3c(C)cc(C)[nH]c3=O)nccc12)[C@H]1CC[C@H](N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTYGYPWGEYATDR-UEOVJWFCSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(C)CC3)nc2)cc2c(NCc3c(C)cc(C)[nH]c3=O)nccc12)[C@H]1CC[C@H](N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEIRRVXKZLWHJ-MISYRCLQSA-N", "SMILES:COC1CN([C@H]2CC[C@H]([C@@H](C)c3scc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c3C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGTKUHSJKOLBGH-CEMLEFRQSA-N", "SMILES:COC1CN([C@H]2CC[C@H]([C@@H](C)c3sc4c(c3C)C(=O)N(Cc3c(C)cc(C)[nH]c3=O)CCC4)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORWWAYMVGOJGG-DIVCQZSQSA-N", "SMILES:CCN(c1cc(O[C@H]2C[C@H](N3CCCCC3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRNNZRRQXGVLG-SOAUALDESA-N", "SMILES:CCN(c1cc(O[C@H]2C[C@H](N3CCCCC3)C2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGRXFCVHBOVSL-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c3c(c(C)[nH]c2=O)CCCC3)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXMRSWKFIOOTI-UHFFFAOYSA-N", "SMILES:C=CCC1(S(=O)(=O)n2ccc3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVBVSKMULHRPLN-UHFFFAOYSA-N", "SMILES:C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVDOHGHDNKZICQ-UHFFFAOYSA-N", "SMILES:C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRIHFEABRBYNSB-UHFFFAOYSA-N", "SMILES:C=CCC1(S(=O)(=O)N2CCc3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCJIFRFYZKPCJ-UHFFFAOYSA-N", "SMILES:C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXEUEGIKIYTDQR-RQNOJGIXSA-N", "SMILES:CCN(c1cc(Cl)cc(C(=O)NCc2c(CCN(C)C)cc3n(c2=O)NCC3)c1C)[C@H]1CC[C@H](N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTHUCSCSGYHAX-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(=O)[nH]c(C)c3cccc(F)c23)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYGRYVZMCQDEP-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCC2C(=O)NC(C)c3cccc(F)c32)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGZLPUGMUJCBD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N(CC)c2cc(-c3ccc(CN4CCOCC4)cc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXMJPSJCAXTTPP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N(CC)c2cc(-c3ccc(CN4CCCCC4)cc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIJPKJHTAKSJV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNXCUUQQZLJSCT-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRMULHWFRKNQV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEXSIZXYLPOYGS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2ccc(Oc3ccccc3)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBUHKIAUSWYNS-UHFFFAOYSA-N", "SMILES:CNc1ncc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(-c3c(C)cnn3C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYLKECUUWNWIX-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c3c(c(C)[nH]c2=O)CCCCC3)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOYRKKNBGTZTKG-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c3c(c(C)[nH]c2=O)CCCCCC3)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWROWLFZQZJJAH-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(C)CC3)cc2)cc(C(=O)NCc2c3c(c(C)[nH]c2=O)CCCC3)c1C)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDSWQEAIASOXHE-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(N3CCN(C)CC3)cc2)cc(C(=O)NCc2c3c(c(C)[nH]c2=O)CCCC3)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGKBYYZTWMBRCE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cnn(C(C)C)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWFSKXACXRROO-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(Cl)cc(NC3CCN(Cc4ccccc4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INQOWGGAXUMWPU-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(N3CCCN(C)CC3)cc(NC3CCN(C)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJHUUXSURINUPD-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(N3CCCN(C)CC3)cc(NC3CCN(C)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNCQVAKBJSWKH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NC3CCN(C)CC3)cc(N3CCCN(C)CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYIFGCLZHRFMU-UHFFFAOYSA-N", "SMILES:COc1cccc2c(NC3CCN(C)CC3)cc(N3CCCN(C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGSKVZWGBWPBTF-UHFFFAOYSA-N", "SMILES:NCCc1ccc(S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXXHFHDMQRQIR-PVBBERPISA-N", "SMILES:CC(C)=CCC/C(C)=C/CC[C@]1(C)C=Cc2c(C=O)c(O)c(C)c(O)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189568", "category": ["biolink:ChemicalEntity"], "name": "BULOXIBUTID", "xref": ["InChIKey:XTEOJPUYZWEXFI-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1"], "synonym": ["Buloxibutid", "C 21", "Compound 21", "T2 agonist compound 21", "C-21", "C21", "M-24"]}
{"name": "Angiotensin type II receptor", "synonym": ["Type-2 angiotensin II receptor"], "xref": ["CHEMBL.TARGET:CHEMBL1163122"], "id": "UniProtKB:Q2XUH7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL288174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RINPELQWLUGERM-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCJVWMIJVNZDT-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGLJVNHUUQDKJ-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CCC)nc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFEDDILOHSOJLA-UHFFFAOYSA-N", "SMILES:CCCc1nc(-c2ccc(Cn3c(CC)nc4c(C)cc(C)nc43)cc2)c(S(=O)(=O)NC(=O)OCCCC(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTSRAKHOVONHDU-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPTZRWAUXTYJD-UHFFFAOYSA-N", "SMILES:CCOC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQRMOWOLSKYOQP-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CCC)nc1-c1ccc(Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMTPJPRHGWVSLP-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKXAVJTPQOZET-UHFFFAOYSA-N", "SMILES:COC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSBNOUVFEOGJRD-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CCC)nc1-c1ccc(Cn2ccnc2C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHCZNRIAHSPXEX-UHFFFAOYSA-N", "SMILES:CCCc1nc(-c2ccc(Cn3ccnc3C(C)(C)C)cc2)c(S(=O)(=O)NC(=O)OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIOPLWZBEHBZCZ-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWYKUJDHGUYSL-UHFFFAOYSA-N", "SMILES:COC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNDGXWYNAHMYMG-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CCC)nc1-c1ccc(Cn2ccnc2C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNRWRBMIQGBIN-UHFFFAOYSA-N", "SMILES:CCCc1nc(-c2ccc(Cn3ccnc3C(C)C)cc2)c(S(=O)(=O)NC(=O)OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYMVVYXLDZWNY-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELPYMNIHDSYFN-UHFFFAOYSA-N", "SMILES:COC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMPSDSVTSVDNL-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CCC)nc1-c1ccc(Cn2ccnc2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJDOIUGFGPUWNK-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJXLXZFYKGARW-UHFFFAOYSA-N", "SMILES:COC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBKSRAKVBCLWTK-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CCC)nc1-c1ccc(Cn2ccnc2-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMKJECORNGYGU-UHFFFAOYSA-N", "SMILES:CCCc1nc(-c2ccc(Cn3ccnc3-c3nccs3)cc2)c(S(=O)(=O)NC(=O)OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDUUKDPMYPLMD-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cc2ncco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRFNQVGQZHLQD-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2nc(CC(C)C)sc2S(=O)(=O)NC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTPPXKUWVLDJKC-UHFFFAOYSA-N", "SMILES:CCCc1nc(-c2ccc(Cn3c(CC)nc4c(C)cc(C)nc43)cc2)c(S(=O)(=O)NC(=O)OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYJVOCHVLEDGB-UHFFFAOYSA-N", "SMILES:COC(=O)NS(=O)(=O)c1sc(CC(C)C)nc1-c1ccc(Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBSZPJAXOAALN-AANHSJDZSA-N", "SMILES:C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKISXNRYVNDSQA-FBDJJGPPSA-N", "SMILES:C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-])C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMNMDGWZJUCORD-HWNUUSAMSA-N", "SMILES:C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-])C(=O)N[C@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYJRWYKYGMKPI-NPYKDBGNSA-N", "SMILES:CCCCCCCCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-])C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEDBZYOMKRUINI-OCBRUXQYSA-N", "SMILES:CCCCCCCCCCCCCCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-])C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEEXUMNFYKNMES-IBGZPJMESA-N", "SMILES:COc1ccc(CCc2nc3cc(C4(C)COC4)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACNKOHZTUKLFY-KRWDZBQOSA-N", "SMILES:CNC(=O)c1ccc2c(c1)nc(CCc1ccc(OC)c(Cl)c1)n2C[C@H](C)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLXSGMJFAVRPH-SFHVURJKSA-N", "SMILES:COc1ccc(CCc2nc3cc(CC#N)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKNOIBWEFKXARI-KRWDZBQOSA-N", "SMILES:COc1ccc(CCc2nc3cc(NS(C)(=O)=O)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFBTVPLGXHSAAK-KRWDZBQOSA-N", "SMILES:COc1ccc(CCc2nc3cc(NC(C)=O)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOYCJNNGFLCSGN-KRWDZBQOSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)nc(CCc1ccc(OC)c(Cl)c1)n2C[C@H](C)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDOBDFZBZQIPB-SFHVURJKSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4cnn(C)n4)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGKSORJOFTYZIB-IBGZPJMESA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4cnn(C)c4)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLWJEOLOFGQII-KRWDZBQOSA-N", "SMILES:COc1ccc(CCc2nc3cc(C(C)=O)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGLMNYHGLWIQDK-KRWDZBQOSA-N", "SMILES:COc1ccc(CCc2nc3cc(S(C)(=O)=O)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCBRAVWUAMYMQN-HZCBDIJESA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBGOCCFUONRBJ-MEMLXQNLSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](O)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJAAPGUWAJWTOO-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C2CCC(F)(F)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBZAWMWXVNBJH-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C2CCN(S(C)(=O)=O)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMUSJJREDZHGY-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C2CCN(C(C)=O)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPLSCKIRMQZNKB-WGSAOQKQSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2C[C@H](O)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGFYZHUREBLNPQ-MEMLXQNLSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](C(F)(F)F)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZMMEWXWUUTTGE-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C2CC(C)(C)OC(C)(C)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUCIRHSWFLFKZ-BZKVGYQJSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc(C1CC1c1ccccc1)n2[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVHXHKYABARWDN-MEMLXQNLSA-N", "SMILES:COc1ccc2c(Cc3nc4cc(-c5c(C)noc5C)ccc4n3[C@H]3CC[C@H](O)CC3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCTFYSPPQVQDML-OWHZGTRUSA-N", "SMILES:COc1ccc(N2C(=O)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCTFYSPPQVQDML-DZRGJMJISA-N", "SMILES:COc1ccc(N2C(=O)C[C@@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONTKJJHFOWPHNJ-QHCPKHFHSA-N", "SMILES:CC(=O)Oc1ccc(CC[C@H](CCCCc2ccccc2)OC(C)=O)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEHZGAVHRKMPDA-RHEQMUENSA-N", "SMILES:COc1ccc(/C=C/C=C/C(=O)/C=C/c2ccc(OC)c(O)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRXRDSTWPUJTLT-CUYOJZMFSA-N", "SMILES:CCN([C@H]1CC[C@H](C(=O)O)CC1)S(=O)(=O)c1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLXYKSFKLCOMJD-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSXKQACZAPGIKC-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIEPTUGUTAVBAH-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(Cc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWSXSVHXNCNJW-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)NCC(=O)O)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGIZHJAUWSDASO-UHFFFAOYSA-N", "SMILES:CC(C)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBZTYLCRVLUHEX-UHFFFAOYSA-N", "SMILES:CCCC(CCC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQQRGNRIDMVRX-UHFFFAOYSA-N", "SMILES:CN(C(=O)CCC(=O)O)C1CCN(Cc2cccc(C(=O)Nc3[nH]c4ccccc4c3C(=O)Nc3ccc(CCCc4ccc(C(=O)O)cc4)cc3)c2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFSSYJVRXLYVMY-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1)C1CCN(C(=O)CCC(=O)O)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKCHOKMUUCUGKJ-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)NCCOCCOCCOCCO)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUWWAFLFVDUCT-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)NCCOCCOCCOCCC(=O)O)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRXUZCQHSQXBAD-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKFDKTLQAONPMK-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CN1C(=O)NC2NC(=O)NC21)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULTIWZUXAHPKII-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)S(=O)(=O)NC(=O)OCC(=O)O)Cc1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"name": "Sodium-dependent phosphate transport protein 2B", "xref": ["CHEMBL.TARGET:CHEMBL5169199"], "id": "UniProtKB:Q9JJ09", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQUUBACOBMUSHP-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(CCc4ccc(C(=O)O)cc4)cc2)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWAPYIWCHFGKQD-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(NC(=O)c2cccc(CSCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTMDZDHMHYPNM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2ccc3oc4ccc(NC(=O)c5cc(OC)c(OC)c(OC)c5)cc4c(=O)c3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVEWTBWUDLJBPL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc3oc4ccc(NC(=O)c5ccc(OC)c(OC)c5)cc4c(=O)c3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENKWOCCUUVARF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)Nc2ccc3oc4ccc(NC(=O)c5cc(OC)cc(OC)c5)cc4c(=O)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMRKPWLMRMDPP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc3oc4ccc(NC(=O)c5ccc(OC)cc5)cc4c(=O)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYYIFAADHLOUIA-FNCQTZNRSA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2ccc3oc4ccc(NC(=O)/C=C/c5cc(OC)c(OC)c(OC)c5)cc4c(=O)c3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFQVIBWXCSKDQ-BGPOSVGRSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccc3oc4ccc(NC(=O)/C=C/c5ccc(OC)c(OC)c5)cc4c(=O)c3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKDSSKWRBOFMW-ZEELXFFVSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccc3oc4ccc(NC(=O)/C=C/c5ccc(OC)cc5)cc4c(=O)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMDVHMCONINJOX-JYFOCSDGSA-N", "SMILES:COc1ccccc1/C=C/C(=O)Nc1ccc2oc3ccc(NC(=O)/C=C/c4ccccc4OC)cc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDUTWRHKIMMLF-JLHYYAGUSA-N", "SMILES:COc1ccccc1/C=C/C(=O)Nc1ccc2oc3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RACXSBIZJIRMRE-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSALZXQGQSKYLR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc3ccc(NC(=O)c4cc(O)c(O)c(O)c4)cc3c(=O)c2c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCVKHODBYZNKIC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc3ccc(NC(=O)c4ccc(O)c(O)c4)cc3c(=O)c2c1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAEFASKVDNUDOZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc3ccc(NC(=O)c4cc(O)cc(O)c4)cc3c(=O)c2c1)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APWYOGLTCAOHCP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc3ccc(NC(=O)c4ccc(O)cc4)cc3c(=O)c2c1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYMMOPXQGXILG-FACPPWRESA-N", "SMILES:O=C(/C=C/c1cc(O)c(O)c(O)c1)Nc1ccc2oc3ccc(NC(=O)/C=C/c4cc(O)c(O)c(O)c4)cc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEOCMUOFLKRHLG-HMMKTVFPSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2oc3ccc(NC(=O)/C=C/c4ccc(O)c(O)c4)cc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYVCWFZYLLWSX-NJDSBKIZSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1ccc2oc3ccc(NC(=O)/C=C/c4cc(O)ccc4O)cc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMUPLHYGNOSQEX-IAGONARPSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)Nc1ccc2oc3ccc(NC(=O)/C=C/c4ccc(O)cc4)cc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHAAWLNRVAUGBO-KAVGSWPWSA-N", "SMILES:O=C(/C=C/c1ccccc1O)Nc1ccc2oc3ccc(NC(=O)/C=C/c4ccccc4O)cc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEUXPZFZDHVHY-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1cc(O)c(O)c(O)c1)Nc1ccc2oc3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNXDODAFHUANQ-UXBLZVDNSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2oc3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVNXOTXETFOQFQ-BJMVGYQFSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1ccc2oc3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFWJRMFIYVCAA-FMIVXFBMSA-N", "SMILES:O=C(/C=C/c1ccccc1O)Nc1ccc2oc3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYMYSTLLHVVWLH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc3ccccc3c(=O)c2c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POSRTDRSGVPENK-UHFFFAOYSA-N", "SMILES:COCCN1CCn2nc(Nc3cc(-c4ccnc(N5CCn6c(cc7c6CC(C)(C)C7)C5=O)c4CO)cn(C)c3=O)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCTHZVUJRUQEGV-UHFFFAOYSA-N", "SMILES:CN1CCn2nc(Nc3cc(-c4ccnc(N5CCn6c(cc7c6CCCC7)C5=O)c4CO)nn4ccnc34)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTKKIUMPXCVBTG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3ccnc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cn(C)c2=O)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHPUYPJPYZUNAH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc(-c3ccnc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cn(C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEIEFCDHKXATA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(Nc2ccncn2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BACWTDCVYNWWBX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLRZBLZJXDMWHV-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDENQIQQYWYTPO-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCCC1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5197089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARJAJEUXWXSIOM-OAQYLSRUSA-N", "SMILES:CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(Cc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEJJOVEBJZESS-DYESRHJHSA-N", "SMILES:O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(N[C@H]3CCC[C@H](CO)O3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPFOHKVTBKUHDJ-HKUYNNGSSA-N", "SMILES:Nc1nccn2c([C@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OCCO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4111143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDVHOMWUQVWPQ-GGAORHGYSA-N", "SMILES:COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CN(C(=O)c4ccncc4)CC(=O)N3C2)n2ccnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUGGURDVSTRHP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c2[nH]c3cc(C(C)(C)O)ccc3c2c1-c1cccc(-n2c(=O)[nH]c3c(F)cccc3c2=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVDAMMWKXCEZBD-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N1CC=C(c2cc3c(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4CO)ncnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4109377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSSZEKYSAMGQJC-NOZRDPDXSA-N", "SMILES:Nc1nccn2c([C@@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUMYMFIVGBQOX-UPVQGACJSA-N", "SMILES:Nc1nccn2c([C@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OCc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRYUDIOHJUQEO-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)c(OC)cc23)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAKOVCJVMZQQAH-XMGIQNEDSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)c2cn(CCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBULNLATGWQHT-MRDFRBPYSA-N", "SMILES:Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)NC[C@@H](N)C(=O)N3)oc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCJIJHAQWMWXOH-UNODROBMSA-N", "SMILES:Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CC[C@@H](N)C(=O)N3)oc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSIEYIWNQCZPL-COVYWNAQSA-N", "SMILES:Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CC[C@@H](N)C(=O)C3)sc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFAZQNRZYGJMDK-RUCTVCJSSA-N", "SMILES:Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CC[C@@H](N2CCCC2)C(=O)N3)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAGOPMBJSMEUQB-FAZXCSNRSA-N", "SMILES:Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)NC[C@@H](N2C[C@@H](C)O[C@@H](C)C2)C(=O)N3)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEDPPJNRGPJAFG-DHZHZOJOSA-N", "SMILES:Cc1oc2c(N)cccc2c1CN(C)C(=O)/C=C/c1cnc2c(c1)CCC(N1CCCC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLATMLVMSFZBN-INMHGKMJSA-N", "SMILES:CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@@H]1CO)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5205408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOMSHSMJCWQFH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(NC(=O)CCC(=O)NCCc2cn(CCNS(=O)(=O)c3cccc(C(=O)O)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGTSDVCJTPNDSF-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(CNC(=O)CCCC(=O)Nc2cccc(C(N)=O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVFOQFGGSQKKLQ-QFIPXVFZSA-N", "SMILES:Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CCCCNC(=O)CCC(=O)Nc1cccc(C(N)=O)c1)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQFJYPJKKMNMX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMOXYDXLQIUWHL-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Oc2cccc(C(N)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSKKQSYDDVIHKE-INIZCTEOSA-N", "SMILES:CNC(=O)[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)NC(=O)c1ccc2c(c1)CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHFMMPLQVIZDPX-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)[nH]c(CSc3ncccn3)nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIJZTKTCJJVSA-UHFFFAOYSA-N", "SMILES:CC#Cc1ccc2c(=O)[nH]c(CSc3ccc(C(=O)O)cc3)nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMLPZZNKHOYHQP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(F)cc2sc(Nc3ccc(C(C)NC)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLLRLQDBLULRDX-UHFFFAOYSA-N", "SMILES:CC(O)c1ccc(Nc2nc3c(C(N)=O)cc(F)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHKHQZIJWLVAA-UHFFFAOYSA-N", "SMILES:CC(N)c1ccc(Nc2nc3c(C(N)=O)cc(F)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZNKSJOSXHEVOQ-UHFFFAOYSA-N", "SMILES:CC(c1ccc(Nc2nc3c(C(N)=O)cc(F)cc3s2)cc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUSWWKGTWIFTNE-UHFFFAOYSA-N", "SMILES:c1ccc(C(OC2CCN(CCCOc3ccc4nncn4n3)CC2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVKWYXYHZIWKHL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(NCc2ccncc2)nc2sc3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJWDMCKSJWQSU-UHFFFAOYSA-N", "SMILES:c1ccc(C(OC2CCN(CCCCNc3ccc4nncn4n3)CC2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXQVQMRDGUVMOA-UHFFFAOYSA-N", "SMILES:CN1CCC(CNc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZDTVOCBHYWUNM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CSC2CCNCC2)nc2cc(NC3CCCC3)cc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRNIXWEXIRUMI-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC(SCc2nc3cc(NC4CCCC4)cc(F)c3c(=O)[nH]2)CC1)NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLMCMRWSQKTOEX-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)[nH]c(CSc3ccncc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSFGFBLRIXHPSO-HAQNSBGRSA-N", "SMILES:Cc1cccc2c(=O)[nH]c(CS[C@H]3CC[C@H](O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUFUAFGCANGLMI-HNNXBMFYSA-N", "SMILES:Cc1cccc(C(=O)N[C@@H](CNC(=O)c2ccc3c(=O)[nH][nH]c(=O)c3c2)C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCSCKDPDCHBDX-INIZCTEOSA-N", "SMILES:CNC(=O)[C@H](CNC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1)NC(=O)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZSBFOFRLRTTM-INIZCTEOSA-N", "SMILES:NC(=O)[C@H](CNC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1)NC(=O)COc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUMGZLKNWSKVAS-SFHVURJKSA-N", "SMILES:NC(=O)c1ccc(OCCC(=O)NC[C@H](NC(=O)CCCc2nc(-c3ccncc3)no2)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WODHZHULQIXHMX-NRFANRHFSA-N", "SMILES:CCCNC(=O)[C@H](CNC(=O)CCOc1ccc(C(N)=O)cc1)NC(=O)CCCc1nc(-c2ccncc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCJGNBVVMDYKM-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)CNC(=O)c1[nH]c(Br)c(Br)c1-2"], "chembl_natural_product": true}
{"name": "Protein mono-ADP-ribosyltransferase PARP16", "xref": ["CHEMBL.TARGET:CHEMBL4105981"], "id": "UniProtKB:Q8N5Y8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMXVPIDJYQHLS-HZMBPMFUSA-N", "SMILES:O=C1NC[C@@H](c2ccccn2)[C@@H](O)c2cc(Cl)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSDGGEOTFRHCLS-GJZGRUSLSA-N", "SMILES:O=C1NC[C@@H](c2ccccc2)[C@@H](O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDPDVNYCIOHPGF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSAAOALYCZSFU-UHFFFAOYSA-N", "SMILES:COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIPWUAOKHPWXQM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2[nH]c(C)c(Cc3c(Cl)cccc3Cl)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHODSEBRMSIFPD-INHLPVAQSA-N", "SMILES:C=C(C)[C@]1(O)CC[C@@]2(C)C3=Cc4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](O)C[C@@H]2[C@@]12CCC(=O)OC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5179576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQVNMKZMKBKOF-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(O)c(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL274056", "category": ["biolink:ChemicalEntity"], "name": "NAPHTHAZALIN", "xref": ["InChIKey:RQNVIKXOOKXAJQ-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)c2c(O)ccc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5179592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWGFPHWJRMEFMO-UHFFFAOYSA-N", "SMILES:O=C1C=C(Cl)C(=O)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVHXUWPFOZVLBX-UHFFFAOYSA-N", "SMILES:CC1=C(Br)C(=O)c2ccccc2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5182750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBNIYMUAWUNOC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c(O)c(CCl)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASNPMKUZYKCRQR-YESIWOAJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMYTUDHTGNNWHO-UHFFFAOYSA-N", "SMILES:COc1cc(CN)cc(OC)c1-c1ncn(C)c1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAILKWZTQNDNZ-UHFFFAOYSA-N", "SMILES:COc1cc(CN)ccc1-c1ncn(C)c1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDIASFAQDJQIPM-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccc(CN)cc2)c1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNXZGNNUAWVYEX-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccc(CN)cc2Cl)c1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNEMVSDCWLRRNB-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccc(CN)cc2F)c1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFVXKKKUNEGOP-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccc(CN)cc2C(F)(F)F)c1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJDFUDACZUSPL-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)ccc1-c1ncn(C)c1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHJRDPHXHIQEA-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRJZBXWWKKLDX-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNAWOSDGDUQEP-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNKMMQAIJNQGDK-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPYDNHCJSHYUMH-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOBCNOTJYWOJO-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEAUKUVCYPZUEQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c(-c3c(C)cc(CN)cc3C)ncn2C)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLBPNLXFYAARQM-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLTYIKCTQRSJMU-UHFFFAOYSA-N", "SMILES:Cc1cc(CO)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDUWTNSBKPOWRR-UHFFFAOYSA-N", "SMILES:Cc1cc(N)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMJALVOJSQILD-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)OC(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJZJVPQEPURVRX-UHFFFAOYSA-N", "SMILES:CCNCc1cc(C)c(-c2ncn(C)c2-c2ccc(C#N)c3ccccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKPTXEMQIDLSIH-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC2CC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCDJMPWHSRTIDC-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZUUZPCWRMUPQD-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCCC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPVAGKRNVEZAM-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCCCC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPWZWOTQVVPME-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCOCC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDYNIONTJOMGL-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJINNRDSQREGF-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSECZFMCHQKPGJ-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCNCC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YELBNEVEPNGEGQ-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCC(N)CC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXDCCAJVLLJET-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCC(O)C2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSWIHRGLUZKGK-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCC(N(C)C)C2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJYPDIQHMOYFL-UHFFFAOYSA-N", "SMILES:Cc1cc(CNCCN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGYZJUSQCVTRI-XRSNPYSUSA-N", "SMILES:C=C1CC[C@@H]2OC(=O)C(C)=C2[C@@H]2[C@@H]1[C@@]13O[C@@]1([C@@H](Cl)[C@@H](C)[C@H]3OC(C)=O)[C@@H](O)[C@@]2(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUMOWJMSFUBMAJ-XTDZAQGWSA-N", "SMILES:C=C1CC[C@]2(O)OC(=O)C(C)=C2[C@@H]2[C@@H]1[C@@]13O[C@@]1(C[C@@H](C)[C@H]3O)[C@H]1O[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCQNEBOQXQNGA-IYRWRCLLSA-N", "SMILES:Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEKYAPNGIDSKCE-PIJZSZHWSA-N", "SMILES:Nc1sc(-c2ccc(C(=O)NCCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRYIHJSTPTCCL-LJJXTENRSA-N", "SMILES:Nc1sc(-c2ccc(C(=O)NCCCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLILVUNGQIPRM-VKKZGUSMSA-N", "SMILES:Nc1sc(-c2ccc(C(=O)NCCCCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZZCWGAKTNXRMW-PIJZSZHWSA-N", "SMILES:Nc1sc(-c2ccc(C(=O)NCC#Cc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZPPPGPNDIAAP-LJJXTENRSA-N", "SMILES:Nc1sc(-c2ccc(C(=O)NCCC#Cc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMKNPNDGKGECTI-VKKZGUSMSA-N", "SMILES:Nc1sc(-c2ccc(C(=O)NCCCC#Cc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBTYNJANUCODBD-LJJXTENRSA-N", "SMILES:Nc1sc(-c2ccc(C(=O)NCCc3ccc(CCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLIMHIKUYCHLCJ-VAXJMDPPSA-N", "SMILES:Nc1sc(-c2ccc(-c3cn(CCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQBQUGNAHLERP-FYAOQCJLSA-N", "SMILES:Nc1sc(-c2ccc(-c3cn(CCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCJAMDTYPKYTDZ-GYNPLWBUSA-N", "SMILES:Nc1sc(-c2ccc(-c3cn(CCCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIILQYRYXOUJFU-YPJCPFORSA-N", "SMILES:Nc1sc(CCC(=O)NCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDGRIBXDXGNZNA-OKEKRWOHSA-N", "SMILES:Nc1sc(CCC(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNLUIKJYTCLSEQ-KRORINPRSA-N", "SMILES:Nc1sc(CCC(=O)NCCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICDPIRBWMXWASN-RKCWLVDCSA-N", "SMILES:O=C(NCCCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZCAXPJGVJMCS-TXJANDSUSA-N", "SMILES:O=C(NCCCCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPXCOHABRQRBS-WBMMKZCBSA-N", "SMILES:O=C(NCCCCCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMNEORRSOTQPT-RKCWLVDCSA-N", "SMILES:O=C(NCC#Cc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIVVWYXSJRSMQW-TXJANDSUSA-N", "SMILES:O=C(NCCC#Cc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGULUKAMEPRONF-WBMMKZCBSA-N", "SMILES:O=C(NCCCC#Cc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWAXALSSRHHKAS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCCn2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBUVNAWOVHRYCB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(CCCC(=O)Nc3ccc(-c4ccccc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPMUFPTFYPICX-UHFFFAOYSA-N", "SMILES:O=C(CCCn1cc(-c2ccc(C(F)(F)F)cc2)nn1)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZNNUAAJOBQLFL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)CCCn2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSJFYJWSXJZNN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2cn(CCCC(=S)Nc3ccc(-c4ccccc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUXZATVQMFSUCM-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFSKEZBSHWRIC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cc(Cl)c(Nc3ccccc3C(=O)O)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRJQRQAJTHQELK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1c(Cl)cc(-c2cc(O)cc(O)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNZPZDSMBVGPU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1c(Cl)cc(-c2ccncc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAWWFKWADRRHME-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)c(Nc3ccccc3C(=O)O)c(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFXAVIGEKORJKM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1c(Cl)cc(-c2ccn[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUSGUCGFPABAIK-UHFFFAOYSA-N", "SMILES:Cc1n[nH]cc1-c1cc(Cl)c(Nc2ccccc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCENODSHXUWMEL-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDVPRRBRNGAQH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1c(Cl)cc(-c2cnoc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDZHLHDETXMBR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1c(Cl)cc(-c2nnn[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERURVSUGNCFNS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1c(Cl)cc(-c2c[nH]nn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKABGPCQGKSYEG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1c(Cl)cc(N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDWBVKHUGDTIFQ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(F)c(Nc2ccccc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJWYXRXJBWXGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)noc2C)cc(C)c1Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VREJVRXHHSMIIH-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2c(C)noc2C)cc(CC)c1Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNWRFMEXRIOLZ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(O)c(Nc2ccccc2C(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTAQRTMMUZQNIC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)noc2C)cc(Cl)c1Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHSEVKWACLINB-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLTNUWQRJYACJU-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c(Nc2cccc(F)c2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAEGYSVEDHGZAJ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2c(Cl)cc(-c3c(C)noc3C)cc2Cl)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDSXMLGYCZZPCL-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c(Nc2cc(F)c(F)cc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEHVNSYVAMCDF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c(Nc2ccc(F)cc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPIEQMTIOSISJ-GTNSWQLSSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2cc(F)cc(F)c2)N1c1nc(N)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZGTQAPVXTQEQ-WFASDCNBSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2N2CCOCC2)N1c1nc(N)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGWJKOHHULBIQ-LIRRHRJNSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N1c1nc(N)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZMGEJXWSGJGS-KSSFIOAISA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N1c1ccnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQKULBMIFDAQEY-KXBFYZLASA-N", "SMILES:Cc1cc(N2[C@@H](C)CC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWBQCCHKQWDFU-GUYCJALGSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N1c1cc(Cl)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPPMDQSUFZVHKV-GUYCJALGSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N1c1nc(F)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRDNYDZZWFCDCO-FNZWTVRRSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(C#Cc4ccccc4)c3c(=O)n2-c2ccccc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUYFVITBVCSPL-IDISGSTGSA-N", "SMILES:Cc1ccc(C#Cc2cccc3nc([C@@H]4CC[C@H](C)N4c4nc(N)nc(N)c4C#N)n(-c4ccccc4)c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRPNXPAMTPBWAW-IDISGSTGSA-N", "SMILES:Cc1cccc(C#Cc2cccc3nc([C@@H]4CC[C@H](C)N4c4nc(N)nc(N)c4C#N)n(-c4ccccc4)c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROEKGLDNKOZQRM-IDISGSTGSA-N", "SMILES:Cc1ccccc1C#Cc1cccc2nc([C@@H]3CC[C@H](C)N3c3nc(N)nc(N)c3C#N)n(-c3ccccc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYFMCJPZZVNIHV-DCFHFQCYSA-N", "SMILES:COc1ccc(C#Cc2cccc3nc([C@@H]4CC[C@H](C)N4c4nc(N)nc(N)c4C#N)n(-c4ccccc4)c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBOYAOWIXRMUDJ-UUOWRZLLSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(C#Cc4ccsc4)c3c(=O)n2-c2ccccc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVJRGFTKKIUOS-AOMKIAJQSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(-c4cncnc4)c3c(=O)n2-c2ccccc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZFNWQYKICNTF-BVZFJXPGSA-N", "SMILES:COc1ccc(-c2cccc3nc([C@@H]4CC[C@H](C)N4c4nc(N)nc(N)c4C#N)n(-c4ccccc4)c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHIOAJKVBNXOHE-ZEWGMFERSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1[C@H](c2nc3cccc(Cl)c3c(=O)n2-c2cc(F)cc(F)c2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJIUUXSDNXTBD-ZEWGMFERSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1[C@H](c2nc3cccc(F)c3c(=O)n2-c2cc(F)cc(F)c2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIRLUESUCSTIOG-SJCJKPOMSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(F)c3c(=O)n2-c2cccnc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGCKGJNZWDYHS-SGTLLEGYSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3ccc(F)cc3c(=O)n2-c2cccnc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJFNSJUIDBLAI-SGTLLEGYSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3ccc(Cl)cc3c(=O)n2-c2cccnc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZUYDUHPWHQZAW-SGTLLEGYSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cc(F)ccc3c(=O)n2-c2cccnc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBOGDZUMBWACCS-SJCJKPOMSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3c(F)cccc3c(=O)n2-c2cccnc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQIOGDLSRWGPA-GUYCJALGSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N1c1nc(N)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJOLDUKDYUYQFP-SJCJKPOMSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccc(F)c2)N1c1nc(N)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYABNJQSBCTYRV-LRDDRELGSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccnc2)N1c1nc(N)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIASIBZKVCTJTC-VOJFVSQTSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2cc(F)cc(F)c2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVLOQSZSRRWMX-LRDDRELGSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2N2CCOCC2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYMBELQCLYYOMM-UGSOOPFHSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQRWHVJYJLGBG-DCFHFQCYSA-N", "SMILES:COc1cccc(C#Cc2cccc3nc([C@@H]4CC[C@H](C)N4c4nc(N)nc(N)c4C#N)n(-c4ccccc4)c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWOQDXRJENHHBO-DFBJGRDBSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(C#Cc4ccccn4)c3c(=O)n2-c2ccccc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTCSRSHOHWSCEV-SBUREZEXSA-N", "SMILES:COc1ccc(-c2cccc3nc([C@@H]4CC[C@H](C)N4c4nc(N)nc(N)c4C#N)n(-c4ccccc4)c(=O)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJIGUHZNODBSAP-BTYIYWSLSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(-c4cnn(C(F)F)c4)c3c(=O)n2-c2ccccc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAGDRMSKAAAPPV-FYSMJZIKSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(-c4cnn(C5CC5)c4)c3c(=O)n2-c2cccc(F)c2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLBLLQIIJUTCFP-HJPURHCSSA-N", "SMILES:COc1cncc(-c2cccc3nc([C@@H]4CC[C@H](C)N4c4nc(N)nc(N)c4C#N)n(-c4cccnc4)c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNNZOBOKJVTKHD-HJPURHCSSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(-c4cnn(C5CC5)c4)c3c(=O)n2-c2cccnc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYUVWMDABGNEH-WVFSVQOHSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1[C@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccc(F)c2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUEZCIIABAXAPV-GKCIPKSASA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1[C@H](c2nc3cccc(F)c3c(=O)n2-c2cccnc2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPDHBLSVBTZFA-JVPBZIDWSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1[C@H](c2nc3cccc(Cl)c3c(=O)n2N2CCOCC2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVKTZKGIMYEOD-SGTLLEGYSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccc(F)c2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALAECWNQSIPAM-SJCJKPOMSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccnc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLGDGKWUNBYKRD-FYSMJZIKSA-N", "SMILES:COc1cncc(-c2cccc3nc([C@@H]4CC[C@H](C)N4c4nc(N)nc(N)c4C#N)n(-c4cccc(F)c4)c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDIBVRUOCPNFT-GTNSWQLSSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3c(F)cc(F)cc3c(=O)n2-c2cccnc2)N1c1nc(N)nc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQASRZOCERRGBL-ZWXJPIIXSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5183252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPUAJWQZPHSID-CMHKWSRRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNBAZKOESMUGEL-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMKDNYIAXGCHEA-UHFFFAOYSA-N", "SMILES:Cc1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBAPXTZIUQEPCC-UHFFFAOYSA-N", "SMILES:CC(C)c1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQKPRJGVXDOJZ-UHFFFAOYSA-N", "SMILES:CC(C)Cc1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHDXHDDZQSOCH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOIYSWNEUWLFOW-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2nc(Cl)nc3scc(C4CCCCC4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIVUWNLPJKZWSS-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4Cl)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQQCZZTFNFGNX-UHFFFAOYSA-N", "SMILES:Nc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGBLTMRTAWJCK-UHFFFAOYSA-N", "SMILES:Oc1cccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSALYJNXBBPMPD-UHFFFAOYSA-N", "SMILES:Clc1nc(NCc2ccccc2)c2c(-c3ccccc3)csc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSWJEQVEJFPOY-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKEBZLVNTHVLOX-UHFFFAOYSA-N", "SMILES:COc1sc2nc(Cl)nc(NCc3ccc(O)cc3)c2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZSTEKUVRBHLT-UHFFFAOYSA-N", "SMILES:O=C1Sc2nc(Cl)nc(NCc3ccc(O)cc3)c2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYCYPFXJJYMRU-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2ccc(O)cc2)c2c(CC(C)C)csc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228281", "category": ["biolink:ChemicalEntity"], "name": "NORSTICTIC ACID", "xref": ["InChIKey:IEVVSJFLBYOUCJ-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)C(O)OC3=O"], "chembl_natural_product": true}
{"name": "Mediator of RNA polymerase II transcription subunit 25", "xref": ["CHEMBL.TARGET:CHEMBL5169169"], "id": "UniProtKB:Q71SY5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1330792", "category": ["biolink:ChemicalEntity"], "name": "ACETARSONE", "xref": ["InChIKey:ODFJOVXVLFUVNQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc([As](=O)(O)O)ccc1O"], "synonym": ["Acetarsol", "Acetarsol", "Acetarsol", "Acetarsone", "NSC-13160", "Gynoplix", "S.v.c."], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL1321154", "category": ["biolink:ChemicalEntity"], "name": "ROXARSONE", "xref": ["InChIKey:XMVJITFPVVRMHC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL173530", "category": ["biolink:ChemicalEntity"], "name": "STICTIC ACID", "xref": ["InChIKey:SKCUFZLDTAYNBZ-UHFFFAOYSA-N", "SMILES:COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVQXJZQHWNCES-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)N1CCN(Cc2ccc(C(=O)NO)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYZGPGZJNOPQLB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSCFEBBGAGVJI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMNWYGDIXMZNK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESYDOZDDMFQMJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXOOZPHQPAOTFP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUDJFSRXZHYHCF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEAFLBCTBFKBID-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cccc(NC(=O)c3cc4c(F)ccc(C)c4[nH]3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKJRMMWEXPPEW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cc(F)cc(NC(=O)c3cc4c(F)ccc(C)c4[nH]3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095235", "category": ["biolink:ChemicalEntity"], "name": "EZM-0414", "xref": ["InChIKey:PGNLXEBQMQHFNK-SJORKVTESA-N", "SMILES:CC(=O)N1CCN([C@H]2CCC[C@@H](NC(=O)c3cc4c(F)ccc(C)c4[nH]3)C2)CC1"], "synonym": ["Ezm-0414", "EZM0414"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNLXEBQMQHFNK-IAGOWNOFSA-N", "SMILES:CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3cc4c(F)ccc(C)c4[nH]3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYSOGWLYOSWGNI-IKGGRYGDSA-N", "SMILES:Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CCN5C(=O)CC[C@H]5C4)C3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMQZZTFEYYPYNC-RQXXJAGISA-N", "SMILES:CC(=O)N1CC[C@H]2CN([C@H]3CCC[C@@H](NC(=O)c4cc5c(F)ccc(C)c5[nH]4)C3)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRNTLIUNYBKBX-CTOYSFNJSA-N", "SMILES:CC(=O)N1CC[C@H]2[C@@H]1CCN2[C@H]1CCC[C@@H](NC(=O)c2cc3c(F)ccc(C)c3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYKFVSBYABUDG-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(O)c2ccccc2N(Cc2ccc(OC)c(F)c2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMLAKCQPVLJILH-QBHOUYDASA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N(C)CCOCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTIHTBHQFSVFQR-CDRRMRQFSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCN(c3ncc(OC4CCN(C(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIOSKCAZMSXVDU-SXECXHFISA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N[C@H]1C[C@H](N(C)C(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVKODNYNUQMGI-XLTVJXRZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCN(CCN(C)C(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWWDJISMVUAMC-MHZLTWQESA-N", "SMILES:Cc1ccc(C(=O)NCCOCCN(C)C(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)cc1N1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SROJWJRBLSFCNH-UMSFTDKQSA-N", "SMILES:Cc1ccc(C(=O)N2CCC(Oc3cnc(N4CCN(C(=O)C[C@@H]5N=C(c6ccc(Cl)cc6)c6c(sc(C)c6C)-n6c(C)nnc65)CC4)nc3)CC2)cc1N1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJWCCCTCPQZKP-QKDODKLFSA-N", "SMILES:Cc1ccc(C(=O)N(C)[C@H]2C[C@H](NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)C2)cc1N1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEADOWZPCMXEHP-LJAQVGFWSA-N", "SMILES:Cc1ccc(C(=O)N(C)CCN2CCN(C(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)cc1N1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOCKDWUKPGTODR-MKGGYCTOSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVPANLPFEQTDRV-CRMBFIAWSA-N", "SMILES:COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/C(C)=O)CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYRVBSMJHGVSG-WUWDKVDWSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVLYQRMHIMNPP-ZYARABBUSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPRNVYMQVIGRF-SDQZRDCKSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBMOLNYYBXAOK-ZYARABBUSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKYSOLDOQXOCO-IEDMVEOCSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRYGNORBOZCGEL-CHUVPVKVSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZOKURYSINYME-QBMNZAROSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKUKDCQXEDELQE-NSFAQDIFSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPLVLZLUWOAOTK-KCDGJHONSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(Cl)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNJLPUNKRNXONY-SCRDCRAPSA-N", "SMILES:O[C@H]1[C@@H](O)CO[C@@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVKHQXTSJJJBY-SCRDCRAPSA-N", "SMILES:O[C@H]1[C@@H](O)CO[C@@H]1Cn1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHTYMXPBACJJH-SCRDCRAPSA-N", "SMILES:O[C@H]1[C@@H](O)CO[C@@H]1Cn1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOYBAYINDLDHP-MUUNZHRXSA-N", "SMILES:Cc1nnn(C)c1-c1cnc2c3ccc(S(C)(=O)=O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOYBAYINDLDHP-MLBVKCQFSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(S(C)(=O)=O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYEMZOQUDZXPFM-SSEXGKCCSA-N", "SMILES:Cc1nnn(C)c1-c1cnc2c3ccc(C(C)C)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRCUFWYMSUHXSB-SSEXGKCCSA-N", "SMILES:COC(C)(C)c1ccc2c3ncc(-c4c(C)nnn4C)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLTWUQWCIITFCB-WYSCSQHCSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3c(OC)cc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJWBITUOGFUHE-GNUZTRDVSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3c(F)cc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYOOOLZFBKNGEJ-MLBVKCQFSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)c(F)c3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUZJDDUVBAUNK-GNUZTRDVSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3cc(Cl)c(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWRRLINMFXHEBN-MLBVKCQFSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)c(Cl)c3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKXKBIQGMOJMX-SCBLGKRXSA-N", "SMILES:Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(O)C(F)(F)F)c(F)c3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIPXOWRIGWYKQR-SSEXGKCCSA-N", "SMILES:COc1cc2c3ncc(-c4c(C)nnn4C)cc3n([C@H](c3ccccc3)C3CCOCC3)c2cc1C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGERZPVQIRYWRK-GNUZTRDVSA-N", "SMILES:[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWUQKJXJXAEMF-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(NS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMMJVDSMRGOUOA-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKRZBTWBZLWMQ-OCCSQVGLSA-N", "SMILES:COc1ccc(CNC(=O)[C@@H]2CCC[C@H](Nc3ccc([N+](=O)[O-])c4nonc34)C2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUOYDBIQUHSIP-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(c2ccc(-c3n[nH]c4ccc(N5CCCCC5)nc34)cn2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNUDAPQWPZBKLD-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5CCCCC5)cc34)cn2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVBMVXZGAUWXIR-GICMACPYSA-N", "SMILES:CC1CCCCN1c1ncc2[nH]nc(-c3ccc(N4CCN[C@H](C)C4)nc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPVPPZYJPYKDT-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5CCCCC5)nc34)cn2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJCVCOCSWGHLMV-OAGGEKHMSA-N", "SMILES:C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CCC[C@@H]5C)nc34)cn2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVRVRYBQFKTMV-KFWWJZLASA-N", "SMILES:C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)COC[C@@H]5C)nc34)cn2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOGFVCZWYLGCM-KFWWJZLASA-N", "SMILES:C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CNC[C@@H]5C)nc34)cn2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRCZGTZEWEMCZ-KURKYZTESA-N", "SMILES:CC(C)C(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN[C@H](C)C5)nc4)c3n2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCDXXXPORYWJAK-ZACQAIPSSA-N", "SMILES:COCC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN[C@H](C)C5)nc4)c3n2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYJMMHOMKOPEY-ZACQAIPSSA-N", "SMILES:C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CN(C(=O)N(C)C)C[C@@H]5C)nc34)cn2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOAXRKYXUKTLEM-QRVBRYPASA-N", "SMILES:C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CN(C(=O)N6CCCC6)C[C@@H]5C)nc34)cn2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIAKJNRDKPGTQR-OAGGEKHMSA-N", "SMILES:COC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN[C@H](C)C5)nc4)c3n2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCRFDJCAWSIKY-ZACQAIPSSA-N", "SMILES:CCOC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN[C@H](C)C5)nc4)c3n2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCHRCCHASZMVAB-IYBDPMFKSA-N", "SMILES:COC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN(C)CC5)nc4)c3n2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXZJXVJPISUKMR-IYBDPMFKSA-N", "SMILES:COC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN(C)CC5)c(F)c4)c3n2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXDCACLUETVZNL-CALCHBBNSA-N", "SMILES:COC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN(C)CC5)cc4)c3n2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHRPUHKLPCOKF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(N3CCCC3=O)c2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIEVBHRUPLMWFP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cccc(-c2cn(C)c(=O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMYMWXJBPLXESU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(-c2cn(C)c(=O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOFJMULWAVDMV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(OCCOCCOCCOCCOc2ccc(NS(=O)(=O)CC)cc2-c2cn(C)c(=O)c3ccccc23)c(-c2cn(C)c(=O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJZSKDMERAPEK-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)NC3CCN(C(=O)COCCOCCOCC(=O)N4CCC(NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c7)n6)cc5F)CC4)CC3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJRGAPMTDBXIK-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)NC3CCN(C(=O)COCCOCC(=O)N4CCC(NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c7)n6)cc5F)CC4)CC3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHWRJBEKUEFFO-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)NC3CCN(C(=O)CCOCCOCCOCCOCCC(=O)N4CCC(NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c7)n6)cc5F)CC4)CC3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYMRIROHVATMC-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)NC3CCN(C(=O)CCOCCOCCOCCOCCOCCC(=O)N4CCC(NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c7)n6)cc5F)CC4)CC3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPQKUYBPPCXREN-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)NC3CCNCC3)c(F)c2)nc1Nc1cc(NS(=O)(=O)C(C)(C)C)cc(C(=O)NCCOCCOCCOCCC(=O)N2CCC(NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCQOSCDABPVAFB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMAKXXYICWYYJD-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccc(Br)cc3Br)n2C)cc1"]}
{"name": "ATP-sensitive inward rectifier potassium channel 10", "xref": ["CHEMBL.TARGET:CHEMBL2146348"], "id": "UniProtKB:P78508", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAIUFEFEURININ-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(S(=O)(=O)N(C)C#C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HINAEAODDLRXIW-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(OCc2ccc(S(=O)(=O)N(C)C#C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPGLMQVEAWGCU-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Oc2ncnc3ccc(OCc4ccc(S(=O)(=O)N(C)C#C)cc4)cc23)c1"]}
{"name": "Catalase", "xref": ["CHEMBL.TARGET:CHEMBL3627594"], "id": "UniProtKB:P04040", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHLHPSNEOTFKI-CYBMUJFWSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(-c4cc(Br)ccc4O)nn3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMANNQPDHAOCLO-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(CC(F)(F)c4ccc(Cl)cc4)nn3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIZQHEZHAPCDDC-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(-c4ccc(CO)c(F)c4)nn3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQURWLAYMJNDEE-CYBMUJFWSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(-c4ccc(Cl)cc4O)nn3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLSPLYLMPFPER-AEFFLSMTSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(C[C@H](O)c4ccc(Br)cc4)nn3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBEGVMNSVMEDMR-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(-c4ccc(Br)cc4)nn3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNKRRXBJSYKNL-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(CCc4ccccc4)nn3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBRRRPHPSDQNO-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(-c4ccc(OC)cc4)nn3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBLJFZFLNNVOR-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(-c4ccc(C(=O)OC)cc4)nn3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGJMHKMYSDYOFP-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3cn(CC(F)(F)c4ccccc4)nn3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFUGWMODLTYDTQ-DNQXCXABSA-N", "SMILES:C=CC(=O)Nc1cc(C(=O)NCc2cn([C@@H]3CCCC[C@H]3OC)nn2)cc(-c2n[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZIURJVSFLDPSJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(=O)NCc2cn(-c3ccccc3C)nn2)cc(-c2n[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUQXOANBMSQOD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(=O)NCc2cn(C3CCC3)nn2)cc(-c2n[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDSOXJBZJPXVKF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(=O)NCc2cn(CCOC)nn2)cc(-c2n[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYAUDYQQGOREP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(=O)NCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc(-c2n[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442016", "category": ["biolink:ChemicalEntity"], "name": "ADAROTENE", "xref": ["InChIKey:QAWBIEIZDDIEMW-FPYGCLRLSA-N", "SMILES:O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1"]}
{"name": "Pup--protein ligase", "xref": ["CHEMBL.TARGET:CHEMBL5169231"], "id": "UniProtKB:P9WNU7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHBXSSINPQZRJH-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1Sc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLNTEMWXTXCEG-UHFFFAOYSA-N", "SMILES:Oc1ccccc1Sc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLRLHWRNDDCTSI-UHFFFAOYSA-N", "SMILES:Oc1ccccc1Sc1cc(Cl)cc(Cl)c1Cl"]}
{"name": "Pup--protein ligase", "xref": ["CHEMBL.TARGET:CHEMBL5169238"], "id": "UniProtKB:Q8NQE1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:196627"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110734", "category": ["biolink:ChemicalEntity"], "name": "SEPANTRONIUM", "xref": ["InChIKey:OTSOOHRUMBRSHZ-UHFFFAOYSA-N", "SMILES:COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O"], "synonym": ["Sepantronium cation", "Sepantronium ion"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHYYBFHPMONCA-UHFFFAOYSA-N", "SMILES:N#CC1CCN(c2cc3cc(NC(=O)C4CC4c4cncnc4)ncc3cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPMWFVVJZPJBY-UHFFFAOYSA-N", "SMILES:CCC1C(C(=O)Nc2cc3cc(N4CCN(C5(C)COCC5F)CC4)c(C)cc3cn2)C1c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUXNSYIMLJYFEN-UHFFFAOYSA-N", "SMILES:CCOC1CC1C(=O)Nc1cc2cc(N3CCN(C4(C)COCC4O)CC3)c(Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSHUMBAMHULABR-UHFFFAOYSA-N", "SMILES:CC1(N2CCN(c3cc4cc(NC(=O)C5CC5c5cccs5)ncc4cc3Cl)CC2)COCC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZAQFTCOOZXHMO-UHFFFAOYSA-N", "SMILES:CC1(C2CCOC2)CC1C(=O)Nc1cc2cc(N3CCN(C4(C)COCC4O)CC3)c(Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIKKMMVZORNGHJ-UHFFFAOYSA-N", "SMILES:Cn1ncc(C2CC2C(=O)Nc2cc3cc(N4CCN(C5(C)COCC5O)CC4)c(Cl)cc3cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLODPHAEVZFMME-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2ccc3c(c2)n(-c2ccc(F)cc2)c(=O)n3-c2cccc(OC(F)F)c2)CS(=O)(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPAFQBOWPGDDB-UHFFFAOYSA-N", "SMILES:CC(n1c(=O)n(-c2cc(OC(F)F)ccc2F)c2ccc(C(=O)NC3(C)CS(=O)(=O)C3)cc21)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAVSBRSWFSSQI-UHFFFAOYSA-N", "SMILES:CC(n1c(=O)n(-c2cc(OC(F)F)ccc2F)c2ccc(C(=O)NC3(C)CCS(=O)(=O)CC3)cc21)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUXXQUIBPYSACA-UHFFFAOYSA-N", "SMILES:CC(n1c(=O)n(-c2cccc(OC(F)F)c2)c2ccc(C(=O)NC3(C)CCS(=O)(=O)CC3)cc21)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXAWPFILFEOKM-UHFFFAOYSA-N", "SMILES:CC(n1c(=O)n(-c2cc(OC(F)(F)F)ccc2F)c2cc(F)c(C(=O)NC3(C)CCS(=O)(=O)CC3)cc21)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLPMTQENLFOTG-UHFFFAOYSA-N", "SMILES:CC(n1c(=O)n(-c2cc(OCC(F)F)ccc2F)c2cc(F)c(C(=O)NC3(C)CCS(=O)(=O)CC3)cc21)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOCITXUZOXOHLH-WMLDXEAASA-N", "SMILES:C[C@@H](C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCC(F)(F)[C@@H](c2cc[n+]([O-])cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTVTUDAXHBJAB-LBPRGKRZSA-N", "SMILES:NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc5ccc(F)cc5s4)n3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKIKGQZGGGLNPU-LBPRGKRZSA-N", "SMILES:NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(Cl)ccc5o4)n3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMWAUREFQUJOV-LBPRGKRZSA-N", "SMILES:NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4ccc5oc(F)cc5c4)n3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXLPITFISDKGCL-LBPRGKRZSA-N", "SMILES:NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5s4)n3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJZFLVZBZCNKDO-LBPRGKRZSA-N", "SMILES:NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(F)ccc5o4)n3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCRVYTLDPBCCDQ-QMMMGPOBSA-N", "SMILES:NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc(Cl)c(Cl)s4)n3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEAZVKBIGSBZFD-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1C1=C(c2ccc(C=C3CN(CCC(F)F)C3)cc2)c2ccc(C(=O)O)cc2CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIEKUHNAASOQJB-UHFFFAOYSA-N", "SMILES:Cc1cc(C2CC2)ccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOQDOBHDRRYMQO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)CCCC(c1ccc(C(F)(F)F)cc1Cl)=C2c1ccc(C=C2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDUPLHUDIMWTQE-UHFFFAOYSA-N", "SMILES:Cl.O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1cc(F)c(C=C2CN(CCCF)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYCOIGHLLKSAJP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)CCCC(c1cc(C(F)(F)F)ccc1C(F)(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRVQZENLMAIFEI-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(C=C2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQJMQVMEPBABFR-SJORKVTESA-N", "SMILES:CCN1C(=O)N[C@@H](CCC(F)(F)F)CCOCCOc2nc(cc3ccnn23)-c2cc(ncc2OC)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNHVYRQJPGZAU-MSOLQXFVSA-N", "SMILES:CCN1C(=O)N[C@@H](CCC(C)(F)F)CCOCCOc2nc(cc3ccnn23)-c2cc(ncc2OC)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAULSDDAUYFKCE-MSOLQXFVSA-N", "SMILES:CCN1C(=O)N[C@@H](CCC(C)(F)F)COCCCOc2nc(cc3ccnn23)-c2cc(ncc2OC)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUARDLVSUBRLFK-MJGOQNOKSA-N", "SMILES:CCN1C(=O)N[C@@H](CCC(C)(F)F)CCOCCOc2nc(cc3ccnn23)-c2ccnc(c2)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYGDDUFFDBXRQV-YLJYHZDGSA-N", "SMILES:CCN1C(=O)N[C@@H](c2cnc(C)s2)CCCCCOc2nc(cn3ccnc23)-c2cc(ncc2OC)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZKCBXJFSVPJLC-VQTJNVASSA-N", "SMILES:CCN1C(=O)N[C@@H](C)CCCC2(CCOCC2)COc2nc(cn3ccnc23)-c2cc(ncc2OC)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVIXDAVPLFLHA-YUVYPMEWSA-N", "SMILES:CO[C@@]12Cc3ccc(cc3)O[C@H]3[C@H]([C@H]4C(=O)[C@](C[C@@H](O)[C@]4(C)C=O)(C1)C(=O)N2)[C@@H](C(C)=O)[C@]1(C)C[C@H](C)C[C@H](C)[C@@H]31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5192236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHCXNUQJBVIFV-LRKWJJKNSA-N", "SMILES:CO[C@@H]1/C2=C3\\O[C@@H](C)[C@@]4(C)C=C(C)[C@@H]5[C@H]([C@H](Oc6ccc(cc6)C[C@]1(O)NC2=O)[C@@H]1[C@@H](C)C[C@@H](C)C[C@]15C)[C@@H]34"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5209090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKNUYDNDOZDIP-IAEWNIKISA-N", "SMILES:CO[C@@H]1C2Cc3ccc(cc3)O[C@H]3[C@@H]4[C@H]5C(=O)[C@@]1(C[C@@H](O)[C@@]5(C)C=C(C)[C@H]4[C@]1(C)C[C@H](C)C[C@H](C)[C@@H]31)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKNUYDNDOZDIP-DJDDDMAGSA-N", "SMILES:CO[C@@H]1C2Cc3ccc(cc3)O[C@H]3[C@@H]4[C@H]5C(=O)[C@@]1(C[C@H](O)[C@@]5(C)C=C(C)[C@H]4[C@]1(C)C[C@H](C)C[C@H](C)[C@@H]31)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHBJSPVIFBBRI-XYXWALGWSA-N", "SMILES:CC1=C[C@@]2(C)[C@@H]3C(=O)[C@@]4(C[C@@H]2O)C(=O)NC(Cc2ccc(cc2)O[C@H]2[C@H]3[C@@H]1[C@]1(C)C[C@H](C)C[C@H](C)[C@@H]21)[C@H]4O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHWUVEFQIICMCY-LWZBBKNSSA-N", "SMILES:C=C[C@@]1(C)C=C(C)[C@@H]2[C@@H]3[C@@H](Oc4ccc(cc4)C[C@@]4(O)C/C(=C(/O)[C@H]31)C(=O)N4)[C@@H]1[C@@H](C)C[C@@H](C)C[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSQZKIQSQHZVQS-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAPPHVJLWSRLAC-VBMKUXCYSA-N", "SMILES:C=C[C@@]1(C)C=C(C)[C@@H]2[C@@H]3[C@H](Oc4ccc(cc4)C[C@@H]4C(=O)NC(=O)[C@@H]4C(=O)[C@H]31)[C@@H]1[C@@H](C)C[C@@H](C)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4582937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRNAIIYYOQQKN-QYYRPYCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1160555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBYTJKDDLUPCV-KQYNXXCUSA-N", "SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNRDWAOABGWGP-KQYNXXCUSA-N", "SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXCDDWASROAJA-QYYRPYCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXSCITZYHDRLLP-XNIJJKJLSA-N", "SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUDCFZWGUJXPV-LSCFUAHRSA-N", "SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKQZGVPRPNNNDW-WOUKDFQISA-N", "SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c2ncn2ccnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1199042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCQWKKZWHQFOAH-IOSLPCCCSA-N", "SMILES:CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDLJTALPLRVDBD-IDTAVKCVSA-N", "SMILES:CCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFWMSMHRYHEPNX-JXOAFFINSA-N", "SMILES:O=c1[nH]c2cncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKHQWZAMYRWXGA-UHTZMRCNSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5177316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKEQMDLYPNVQGH-WGQQHEPDSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBROSWEMLTASJ-BQOYKFDPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPAALSYPIKXSU-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVBRSICZXDPSG-UHFFFAOYSA-N", "SMILES:COC(=O)COc1ccc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2Cl)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTICMYBBXHRMC-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZGVUGDKIXTIMM-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCc3nnn[nH]3)cc2O)c1Oc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPNPAAEUMNCFQ-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCc3nnn[nH]3)cc2O)c1Oc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZRDTCZIUORZHI-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPHMYLWORTECS-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCC(=O)O)cc2O)c1Oc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJPTALWSWYXAT-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXLMBZGNQUFKP-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJKRMSSHZMBFC-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCCC(=O)O)cc2O)c1Oc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNBQQXTRZIVQI-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCCCC(=O)O)cc2O)c1Oc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKAHQWXNYWRKGW-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccc(OCC(N)=O)cc2O)c1Oc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZOQMAMAUKCJAS-UHFFFAOYSA-N", "SMILES:Cc1c(Oc2ccc(Cl)cc2Cl)c(-c2ccc(OCC(=O)O)cc2O)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMIULVBLTXUGDE-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOGXZMMKDZGQY-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cc2c([nH]c3ccccc32)c(CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHTKEWSTFBVAFG-WHCFWRGISA-N", "SMILES:OC[C@H]1O[C@@H](n2nncc2-c2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTWLOWZRCWIXHF-WHCFWRGISA-N", "SMILES:OC[C@H]1O[C@@H](n2nncc2-c2cccc(Cl)c2)[C@H](O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJDBMNRBJWMZIZ-OBJCFNGXSA-N", "SMILES:OC[C@H]1O[C@@H](c2nncn2-c2cccc(Cl)c2)[C@H](O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPJTWJTSPYRGS-OBJCFNGXSA-N", "SMILES:OC[C@H]1O[C@@H](c2ncnn2-c2cccc(Cl)c2)[C@H](O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYFMJAPJIUXRA-WHCFWRGISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPKXMWKJPQSSLU-WIXLDOGYSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)n(-c2cccc(Cl)c2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SREQODHFJAFKPS-WHCFWRGISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)cc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQLNSGIQUYFMI-WHCFWRGISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)n(-c2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVMHUPZOHKZLPZ-WHCFWRGISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFXWKVASMNKLV-WHCFWRGISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOMLWKPZCQCPS-YDXQKAQTSA-N", "SMILES:COc1ccc(Cl)cc1-n1nc(C)nc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJJRZCWJAUIUNZ-YDXQKAQTSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPRHMKQUQKTGTI-WHCFWRGISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVVGNSLOWJHGCL-WHCFWRGISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBZWBMTWYDLHBX-WHCFWRGISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYZEYHYWHBAKR-WHCFWRGISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Br)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAWRNSVRMDMFLI-CDJZJNNCSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccc(Cl)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZXDKATMCDEBO-CDJZJNNCSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccc(Br)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYBPKCZBLFMASG-WHCFWRGISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(Cl)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNCXEEAEYSCLPA-RSFKBIFASA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c5ccccc5c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTWCQIKBJJULGY-WIXLDOGYSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccc(Cl)c(F)c4F)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVVKRADBWKMYOO-WIXLDOGYSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccc(Br)c(F)c4F)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXNHVLKQBGHQG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBISGFJIKYHGHR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)O)(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVAFLUKPBXKGFH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)O)(c2ccc(C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZFZVGUXQHXMTJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)O)(c2ccc(OC)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUIAAZGBOSEKO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)O)(c2ccc(N(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFJLWMNMJKMBL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)O)(c2ccc(OCC)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNDASRTFWLHQT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)O)(c2cccc(OCC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLXRXJBUKYUPA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccccc2)(c2nnn[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHQJQYLUKZBAW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccc(OC)cc2)(c2nnn[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZFXPVJBOKQCM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2ccc(OCC)cc2)(c2nnn[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOBOJXXQSPCML-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cccc(OCC)c2)(c2nnn[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGASBUGRMSJZTB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)NS(=O)(=O)c2ccccc2)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBZMYFGMPYTMC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKKLMUIYDGAYET-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc(F)cc2)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGGCKVYLNBFUII-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc(C)cc2)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKGCXBGLHBYHAT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc(OC)cc2)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGRVXVCTGZUSZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)NS(=O)(=O)CC)(c2ccccc2)CC1"]}
{"name": "Lysine-specific demethylase 2B", "xref": ["CHEMBL.TARGET:CHEMBL3779760"], "id": "UniProtKB:Q8NHM5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CXXC-type zinc finger protein 4", "xref": ["CHEMBL.TARGET:CHEMBL5169197"], "id": "UniProtKB:Q9H2H0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "F-box/LRR-repeat protein 19", "xref": ["CHEMBL.TARGET:CHEMBL5169165"], "id": "UniProtKB:Q6PCT2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CXXC-type zinc finger protein 5", "xref": ["CHEMBL.TARGET:CHEMBL5169170"], "id": "UniProtKB:Q7LFL8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFZODBXJSGOJQT-ARNRTBJWSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVQGKTDIDWJTNO-NUWZUGDKSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CNC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHCQEZGDPAWMK-JZUXPKGKSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(C)cc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGTBNUZNLABPCZ-WKZIBFJNSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJVUEZFBMGOKD-WKZIBFJNSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(Cl)cc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMCNKPLWPXJAR-WKZIBFJNSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(Br)cc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDKHMUMLLKYJBQ-SBJGAUOOSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(OC(C)C)cc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCWYGGAOOCPOKS-CPWGOLPVSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(Oc2ccc(F)cc2)cc1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLWYLXIFKFKRH-XSIWJGCBSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSMOGDAZBSQCHI-XSIWJGCBSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1cccc(Br)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLBEKAHNNPGCB-QEALHERHSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1cccc(-c2ccccc2)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUXWOEWIHRYUOT-QEALHERHSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1cccc(Oc2ccccc2)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPGGBEUKNGZFNM-UFHZIQQQSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc2c(c1)OCO2)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQZBKRQITYMJC-WCTVRXQSSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1cc2ccccc2o1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPKHASLHLIIMW-CYFZQZRSSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1cc2ccc(Br)cc2o1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKKXYMBPFGEDQ-WTNLZWJLSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1cc2cc(Br)ccc2o1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRJQPPIKIXGBIV-WTNLZWJLSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1cc2cc([N+](=O)[O-])ccc2o1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KISRPAQNBCBGNG-USDCPBCJSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1cnc(-c2ccccc2)o1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTLKBNLVSOFCR-QFDQERAOSA-N", "SMILES:CC(C)[C@H](NC(=O)CNC(=O)/C=C/c1cccc(-c2ccccc2)c1)C(=O)N[C@H](CCC(=O)OC1CCCC1)C(=O)OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIIQKLSWPSBHRZ-QFDQERAOSA-N", "SMILES:CC(C)[C@H](NC(=O)CNC(=O)/C=C/c1cccc(Oc2ccccc2)c1)C(=O)N[C@H](CCC(=O)OC1CCCC1)C(=O)OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWTWIDDDLYFII-FOMSFIPTSA-N", "SMILES:CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)/C=C/c1ccc(OC(=O)CC23CC4CC(CC(C4)C2)C3)c(OC)c1)C(C)C)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGYNBFZZADWFA-IRZWJBRBSA-N", "SMILES:COc1cc(/C=C/C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OC2CCCC2)C(=O)OC2CCCC2)C(C)C)ccc1OC(=O)CC12CC3CC(CC(C3)C1)C2"]}
{"name": "Nucleotide-binding oligomerization domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5169176"], "id": "UniProtKB:Q8K3Z0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSOQXXWZTUDTEL-UIQRTBJFSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H](O)[C@@H](CO)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHJZXDWIODMAQP-UHFFFAOYSA-N", "SMILES:C=CCNC(=O)C(Cc1ccccc1)NC(=O)C(c1cc(Br)ccc1OC)N1CCOCCOCCNC(=O)CC(C)(C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGVNOAYQGECND-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1C(C(=O)NC(Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12)N1CCOCCOCCNC(=O)CC(C)(C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABIUDQOQYNQEKP-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1C(C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1)N1CCOCCOCCNC(=O)CC(C)(C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTADIKRUSNRSEU-BEFAXECRSA-N", "SMILES:CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cccc(-c2ccc3nccn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLTFOCDCBJJRPK-QAPCUYQASA-N", "SMILES:CCN(C(=O)NC[C@H]1COCC(=O)N1)[C@H](C)c1cccc(-c2cn3ccnc3c(OC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZTZJYICKBFPW-NYRJJRHWSA-N", "SMILES:CCN(C(=O)NC(Cn1nccn1)C(F)(F)F)[C@H](C)c1cccc(-c2cn3ccnc3c(OC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOHAKGBEAUBDLP-KRWDZBQOSA-N", "SMILES:CCN(C(=O)NC1(C(F)(F)F)CCC1)[C@@H](c1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYWJQUWZIMPQR-WIYYLYMNSA-N", "SMILES:CCN(C(=O)N[C@@H]1CCCN(CC#N)C1)[C@H](C)c1cccc(-c2cn3ccnc3c(OC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFODNMSNJKVNLT-IKQMYLSPSA-N", "SMILES:CC[C@@H](NC(=O)N(CC)[C@H](C)c1cccc(-c2cn3ccnc3c(OC)n2)c1)C1CC(F)(F)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAPWMOBTPHCLBU-CVRLYYSRSA-N", "SMILES:CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)C(C)c1ccnc(-c2cn3ccnc3c(OC)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMFYWPVOKVIDT-SZBOGAFOSA-N", "SMILES:CCN(C(=O)N[C@@H](C1CCCC(F)(F)C1)C(F)(F)F)[C@H](C)c1cccc(-c2cn3ccnc3c(OC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRYKUIFRBALAJ-MJTSIZKDSA-N", "SMILES:CC[C@H](CC(F)(F)F)NC(=O)N(CC)C(c1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1)C(C)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCRYSHHYUHKRSO-KUHUBIRLSA-N", "SMILES:CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cccc(-c2cc(OC)c3ncc(Cl)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLXVMMFUHZFPQE-FPOVZHCZSA-N", "SMILES:CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)[C@@H](c1cc(-c2cc(OC)c3ncn(C)c3c2)c(OC)cn1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDIFRVDOSYDEZ-ZENAZSQFSA-N", "SMILES:CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)C(c1cc(-c2cc(OC)c3nccn3n2)c(OC)cn1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBXEGSPKUHVQU-ACJLOTCBSA-N", "SMILES:CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULVKXIPNGXNHJQ-DYVFJYSZSA-N", "SMILES:CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cc(-c2cn3ccnc3c(OC)n2)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELCWIHYSVOYMQ-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(Nc3cc4c(F)n(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSRQNNDOHLXRFS-UHFFFAOYSA-N", "SMILES:CCn1cc2cc(Nc3nc(=O)n(Cc4ncn(C)n4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKSHIALIHAZOKJ-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(CC(F)F)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFGHJKHJFCUEV-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(Cl)c(F)cc3F)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWVUDSABWSDFK-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)c(F)c3)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORSPHJORSJQNK-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(NC3=CC4CCOC4C=C3Cl)n(Cc3cc(F)c(F)c(F)c3)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFRZOFHSXMOTAM-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(Cl)c(F)c(Cl)c3)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSBJTEAOFRKHIW-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)c(F)c3F)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITIREIVURMFPKX-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cccc4ccccc34)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRGARHLRSSYTCB-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)c(F)c3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIAUEGRDSIECQN-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(Nc3nc(=O)n(Cc4cc5ccsc5[nH]c4=O)c(=O)n3Cc3cc(F)c(F)c(F)c3)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIFIZZEWIBTMR-UHFFFAOYSA-N", "SMILES:Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)c(F)c3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSRZUZBVBZKEKS-UHFFFAOYSA-N", "SMILES:Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(C#N)c(F)cc3C)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMQBQICRPJDOGW-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(Nc3nc(=O)n(-c4cncc5c4COC5)c(=O)n3Cc3cc(Cl)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDQAUBWJYWYCIF-UHFFFAOYSA-N", "SMILES:Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHJXUMSKNCQEOZ-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(Nc3nc(=O)n(-c4cncc(C(F)(F)F)c4)c(=O)n3Cc3cc(F)c(F)c(F)c3)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKXIQAVTDLTQE-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(Nc3nc(=O)n(Cc4cc(Cl)ccn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXVNJCXWGHHEMG-UHFFFAOYSA-N", "SMILES:CCNC(=O)Cn1c(=O)nc(Nc2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZWZZUFWVJVEO-UHFFFAOYSA-N", "SMILES:Cc1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HINZNLWGIFHPEI-BEFAXECRSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVTPBHZOUZEZIV-GIVPXCGWSA-N", "SMILES:CC[C@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVTPBHZOUZEZIV-NRSPTQNISA-N", "SMILES:CC[C@@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUXBHAQMOOORH-HJNYFJLDSA-N", "SMILES:CC(C)[C@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUXBHAQMOOORH-FCEUIQTBSA-N", "SMILES:CC(C)[C@@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBIQSVMSPEZDP-HJNYFJLDSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBIQSVMSPEZDP-FCEUIQTBSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRXGPDDNSKSQO-NHTMILBNSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOPYKZQVGYOJO-FGUUHEIUSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOPYKZQVGYOJO-CMYDWJSCSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRKMRKOAIRANV-YBEMNCNDSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRKMRKOAIRANV-MNCIPDHPSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUIGLFJCJDVFW-GPXOXTDOSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUNIDQZQNDLTI-YHBQJITHSA-N", "SMILES:C[C@@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUUOVSLHZXGIKO-BXWFABGCSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYTJDBYJYAWQKF-MPGHIAIKSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRLRBSKQJIUTG-MPGHIAIKSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHQWDODKNPHAO-SNRMKQJTSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)CO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MELIXBXRMPEWIP-ZWOKBUDYSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2c3c(ccc2[nH]1)CCO3)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDZYLKQOXGNEL-MPGHIAIKSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVRDUMBTEAQCDF-ZWOKBUDYSA-N", "SMILES:CCOc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIPVFDYMOVSYQI-UVFQYZLESA-N", "SMILES:COc1cc(Cl)cc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMBMJWVGROMTF-QOKNQOGYSA-N", "SMILES:COc1cc(Cl)cc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKWFNMSLXSBKM-ROQCDXFCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](C#N)CCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1186487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZNZHCNPLOAIX-UHFFFAOYSA-N", "SMILES:CCC(/C=C1\\Sc2ccc(OC)cc2N1CCO)=C\\c1sc2ccc(OC)cc2[n+]1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWRLROSVVBGPPA-UHFFFAOYSA-N", "SMILES:CCNC1=NC(c2ccc(F)cc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKVSDJASFARSBG-UHFFFAOYSA-N", "SMILES:CC(c1nc2c(C(N)=O)cccc2[nH]1)N1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNNWTFDOQOLII-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1)n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONBOEFXSDWJOX-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCN(C(=O)Nc2ccnc3ccccc23)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRQHUXPKLSLAGY-SANMLTNESA-N", "SMILES:O=C(CCNC(=O)c1ccc(CO)cc1)N[C@@H](Cc1cnnn1CCc1ccccc1)C(=O)NCc1cn(CCP(=O)(O)O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RISWGAMSPMILST-UHFFFAOYSA-N", "SMILES:C#CCSc1nc2nc(C)cc(Nc3cc(-c4ccccc4)[nH]n3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUKPDRMBOVCZCO-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)NCCO[N+](=O)[O-])cc(-c2ccc(S(N)(=O)=O)cc2)n1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279898", "category": ["biolink:ChemicalEntity"], "name": "ENPROFYLLINE", "xref": ["InChIKey:SIQPXVQCUCHWDI-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c(=O)c2nc[nH]c21"], "synonym": ["Enprofylline", "Enprofilina", "D 4028", "D-4028", "Enprofylline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL260331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWQRFKXNBVPGA-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc5c(c4)OCO5)nn3C)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWSOBQUMUYEQU-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNc1nc(N)c2nc(-c3ccco3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKZQUSYQWOCDQS-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPAQPYZCAVWTII-UHFFFAOYSA-N", "SMILES:S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRHUKOHIJREPRH-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N3CCCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBMNYBUCPCOZEE-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Oc2cccc(-c3cc(-c4ccccc4)nc(N)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBAFZDZRHJJRN-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N3CCOCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVULIIPYBZWKD-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccc(O)cc2)nc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVSMGXRSLWUDV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3c(=O)n(-c4ccc([N+](=O)[O-])cc4)nc3c(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMHGBZUFQHAIL-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPZDWHKDTFMQIK-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2c(nc(-c3cccc(OCCCCl)c3)n2C)n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMPIOXJKIDBIK-UHFFFAOYSA-N", "SMILES:C#CCn1c(-c2cccc(OCCCCl)c2)nc2c1c(=O)n(CCC)c(=O)n2CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEDVMAROBAPHIL-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2c(nc(-c3ccc(OCCCCl)cc3)n2C)n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3291301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZVZANTMXWQKF-UHFFFAOYSA-N", "SMILES:C#CCn1c(Br)nc2c(N)nc(C#CCCCCCC)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDHRMQBZHBARB-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNc1nc(N)c2nc(-c3ccccc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMSGYLASRAPFN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCCCC4)c3)nc(N)n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2377239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPCWHWIGICQCW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDURZCNQMMOMOT-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(Cl)c2)cn2c(=O)n(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOECXBOQVLMSRD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn3c(=O)n(Cc4ccccc4)nc3c(N)n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3618470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAXVCRABQNDHDB-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2c(nc(CCCc3ccccc3)n2CC)n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3618475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGXCBFLLACDHJB-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2c(nc(COc3ccccc3)n2C)n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPULEWRJINBTHO-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2c(nc(COc3ccc(Br)cc3)n2C)n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGKUAPXWUSTOD-UHFFFAOYSA-N", "SMILES:CCCn1c(Oc2ccc(F)c(F)c2)nc2nc(C3CCCC3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMYCBNUDQBLQGI-UHFFFAOYSA-N", "SMILES:CCCn1c(Oc2cccc(OC)c2)nc2nc(C3CCCC3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIJBSDWAEYSXRC-UHFFFAOYSA-N", "SMILES:CCCn1c(Oc2cccc(C(F)(F)F)c2)nc2nc(C3CCCC3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQLXHUEHZSOCW-UHFFFAOYSA-N", "SMILES:CCCn1c(Oc2cccnc2C)nc2nc(C3CCCC3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBALQZFPNYGFN-UHFFFAOYSA-N", "SMILES:CCCn1c(OC2CCOC2)nc2nc(C3CCCC3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYOVLXLEHMWCR-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2cccc(OC)c2)nc2nc(C3CCCC3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUJLIIYZTCMIGQ-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=O)c(C(=O)Nc3cccc(O)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEUVIGFWWXQIW-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccco2)nc2sc(Cc3cccnc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCWNMXKDPVGZGX-LBPRGKRZSA-N", "SMILES:OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFGADMHJBQHFPU-LBPRGKRZSA-N", "SMILES:OC[C@@H]1CCCN1c1ncnc2sc(Nc3cccc(Br)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHYQMCDBOOZTIT-UHFFFAOYSA-N", "SMILES:CC1=C(C)C2C(=O)NC(NC(=O)c3ccccc3)=NC2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2377109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGURUQQTVSHGEJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cc1cc2c(N)nc(-c3ccc(C)o3)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2377110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJRPHGICROETI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2377111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHPOFYQCVJROB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4F)sc3n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2377090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFGCCBQFGTIJE-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIUGYYNSDFVJFJ-BQYQJAHWSA-N", "SMILES:Cn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUIFAKZQWNPAII-MDZDMXLPSA-N", "SMILES:CCn1c(=O)c2c(nc(/C=C/c3cccc(C(F)(F)F)c3)n2C)n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBQIYWBAQBESW-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2c(nc(COc3ccc(OC)cc3)n2C)n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBWZWSVAQBRFRS-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccco2)nc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLLUUCPOQJOUJM-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN(CCN3CCCC3)CC2)nc2sc(-c3ccco3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUWULVTAWEVHA-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN(c3ccccc3)CC2)nc2sc(-c3ccco3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCNWRYIFSYUHCI-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2CCN(C3CCCN(Cc4ccccc4)C3)CC2)nc2sc(-c3ccco3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3317574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXNZRRSDCMNJDB-UHFFFAOYSA-N", "SMILES:Nc1nc(CCCc2ccccc2)nc2cn(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMQVTVAGCUWGH-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAXPGPCHHLIKHY-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc2cn(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWPOEONGDSYEDB-QAQDUYKDSA-N", "SMILES:Oc1ccc(-c2cnc(N[C@H]3CC[C@H](O)CC3)nc2-c2ccccc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GETPIVHQEHJVIK-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CNCCO)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULEFBGMSKLBBKF-UHFFFAOYSA-N", "SMILES:CCN1CCCC(Nc2cc(C)nc(NC(=N)Nc3ccc(Cl)c(Cl)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFFXOJOBSFGXNB-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCNCCO)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWKRYJSHNVYBR-ZNWNOEGYSA-N", "SMILES:O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]2[C@H]1CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWXVKWYITIOGQY-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBDRHLIVOYEGP-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N(CCO)Cc3ccccc3)nc3c2cnn3-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKLEJFDIFUWAN-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(NCCCO)nc3c2cnn3-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3114160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYLWRVXTMMKXNA-UHFFFAOYSA-N", "SMILES:CC(C)n1cc2c(Cl)nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTNZNIINPDYNCZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2)nc2nn(C(C)(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYCMRYEOUXQND-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(C)nc3cn(-c4ccccc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABCEMYYUZWPKX-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZLIMXLZLGHSQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccn2cc(-c3ccccc3)nc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKHLCPMWPHNFR-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nccn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEDLTEINBRKAJS-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFDXEBQTCRYVFW-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUNAVIWFCXQWCJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFHPYCPHWRVLNT-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccco2)nc2c(NC(=O)C(c3ccccc3)c3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPAXWANUONHMP-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc(CC(=O)Nc3ncnc4c3nc(-c3ccco3)n4C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKUMHHBMXWILBS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2cc(NC(C)=O)nc(-c3cc(OC)ccc3OC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXUFIKUZGVRKIL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OC)c(OC)c3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHCKUUYYUDSJU-UHFFFAOYSA-N", "SMILES:CCc1ccc(COC(=O)c2cnc(NC)n3nc(-c4ccco4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATKLAXIQZSKPC-UHFFFAOYSA-N", "SMILES:CNc1ncc(C(=O)NCc2ccc(C(F)(F)F)cc2)c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHLKXFPBCIRJTL-UHFFFAOYSA-N", "SMILES:N=c1nc(N)c2c(C(F)(F)F)cc(-c3ccccc3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVVOWKKUORGGR-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCAZRINOKNFCW-UHFFFAOYSA-N", "SMILES:CCn1c(-c2ccco2)nc2c(N)cc(NCCc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWEDRMZNLRTNEM-UHFFFAOYSA-N", "SMILES:CCn1c(-c2ccco2)nc2c(N)cc(OCCc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVAMXXSOZXMUOF-UHFFFAOYSA-N", "SMILES:CCn1c(Br)nc2c(NCCc3ccccc3)cc(N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCFLIUQAHUFFOG-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Cc2nc(-c3ccccc3)nn2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPLDXFLVKZHMD-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Cc2nc(-c3ccco3)nn2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAOPXCMAXSVSMC-UHFFFAOYSA-N", "SMILES:C#Cc1c(N)nc2c(c1-c1ccc3c(c1)OCO3)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHZEYYOVXBBBO-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(N2CCCC2)nc2nccc(-c3ccc(Cl)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUMFDJQEPHVBC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2c(CC(=O)NC3CCCC3)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMFIRWORTIXIRD-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccccc2)nc2cn(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWGGVNTARNMKJ-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5nccs5)nc43)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJKSXILGDKVDBO-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1ccc2oc(-c3ccco3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPKXAQKALAXCW-UHFFFAOYSA-N", "SMILES:Nc1ccc2oc(-c3ccco3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTYVAKNEYLJAPT-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2c(C)c(C(=O)N3CCC(O)CC3)sc2n(CCC(F)(F)F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDRQWSHSHLNIKV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBXODHZSOMLIX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEBDASJNSDOZKP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTHYPITPRRLLH-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZTQLJTYRDRDJZ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccc(O)cc2)nc(Nc2nc(-c3ccc(F)cc3)cs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIOZSWXTSYAXRC-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJRKOSVHCNMAII-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(C)(O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQXQZUVCBUGLO-UHFFFAOYSA-N", "SMILES:CCN(CC)C1CCC(C)(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIIBSIMWHVDFED-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFKXIEKMGLBNSH-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTSKXMDUGTVOC-UHFFFAOYSA-N", "SMILES:COc1cnc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEAPJZVOEQSFCZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXHNPHXVUPZBD-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWJQIYQJKMCSP-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTYUKYLDBALLID-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSQKVZJOPPKAN-UHFFFAOYSA-N", "SMILES:CC(=O)COc1cc(C)cc2cc(-c3ccc(C)cc3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWTYMLXTGLAHMG-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)c(NC(=O)c3ccccc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1777843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPFCIXQOFVAHQ-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(-c3ccccc3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1777844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZYDUIAIVPQMQY-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(-c3ccc(OC)cc3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1417172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUCPZDZHLAJZAX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4526845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHVNBOHWALFNHB-UHFFFAOYSA-N", "SMILES:O=c1oc2c(O)cccc2cc1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWPBUSPLCUAICQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(-c3ccc(C)cc3)c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUUOKZGVLJVWKP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARLXKSRRREKCI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2-c2ccc(C)cc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3741543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKSHSWUKATBJD-BYZAXBFFSA-N", "SMILES:CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFHKTWHFWORIBL-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccco2)c2oc(-c3ccco3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSUBSFUTPHFLEX-UHFFFAOYSA-N", "SMILES:CCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5176292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQRBKNAKDYQRNE-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)n2nc(-c3ccccc3Cl)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCYRZPCRNQHRMY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2Cl)cn1C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSNMDNLMSFBOG-UHFFFAOYSA-N", "SMILES:Cc1c(C)c(C)c(Cn2c[n+](Cc3cc(=O)oc4cc(O)ccc34)c3ccccc32)c(C)c1C.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCDGMIKGRRXAX-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2c[n+](CCCCn3c[n+](Cc4cc(=O)oc5cc(O)ccc45)c4ccccc43)c3ccccc32)c2ccc(O)cc2o1.[Cl-].[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPXYTACUQJHCQ-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2c[n+](CCCCCn3c[n+](Cc4cc(=O)oc5cc(O)ccc45)c4ccccc43)c3ccccc32)c2ccc(O)cc2o1.[Cl-].[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKMJWKASTUJHB-UHFFFAOYSA-N", "SMILES:O=c1cc(C[n+]2cn(Cc3ccc4ccccc4c3)c3ccccc32)c2ccc(O)cc2o1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVITEKVAIIQFF-UHFFFAOYSA-N", "SMILES:O=c1cc(C[n+]2cn(Cc3ccc4ccccc4c3)c3ccccc32)c2ccc(O)c(O)c2o1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457077", "category": ["biolink:ChemicalEntity"], "name": "SALVIANOLIC ACID A", "xref": ["InChIKey:YMGFTDKNIWPMGF-UCPJVGPRSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O"], "synonym": ["Dan phenolic acid a", "Salvianolic acid a"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5177774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFEWNUSXLMSJMY-MFCRVAKGSA-N", "SMILES:C[C@H]([C@@H](O)[C@H](O)[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5183695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEMVTYJKSAHEG-MHAFPVRBSA-K", "SMILES:C[C@H](CC[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)[O-])[C@H]4C[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])C[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5209548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHMCXJIVCUHHK-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJJOGUHWFGENF-QFIPXVFZSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)c2cc(OC3(C(=O)OCC)CCC3)n(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWKSKVKTSCNFR-ZCYQVOJMSA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NCC(F)F)n(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBRGTYHHYDBEL-AHWVRZQESA-N", "SMILES:CCOC(=O)N1CCN(C(=O)[C@H](CCNS(=O)(=O)C(F)(F)F)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3652616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFSRINASKPLEY-VWLOTQADSA-N", "SMILES:Cc1ccc2c(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)cc(C(=O)NCC(=O)N3CCN(C(=O)OCCC(F)(F)F)CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPAPVILXKDUTCP-ZHACJKMWSA-N", "SMILES:Cc1[nH]c(-c2ccccc2)c(/C=C/C(=O)O)c1C(=O)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLUUSKSADPGDH-QHCPKHFHSA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)nc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDWUBTNYJQSCJQ-YADHBBJMSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC[C@@H]3COC)nc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTCYSPTLFEVPH-QHCPKHFHSA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUANPMBUHXDBFU-XMRDPMTESA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](CP2(=O)OCc3cccc(C)c3O2)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYUNGCCJAEVGH-GOSISDBHSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)[C@@H](CCC(=O)O)NC(=O)c2cc(Cl)cc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOVNGFZIMIUBIS-KRWDZBQOSA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2csc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTUEJMNNHZZPE-QHCPKHFHSA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](Cc2ccc(P(=O)(O)O)cc2)NC(=O)c2csc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUBIBXNGHBWWMD-NRFANRHFSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccc(P(=O)(O)O)cc2)NC(=O)c2csc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUJIGXLRPWZPG-VXKWHMMOSA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)sc2N2CC[C@H](OC)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYDTCMVZYXYDG-NRFANRHFSA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2nc(-c3ccccc3)sc2N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQKTXILWSWWJPP-NRFANRHFSA-N", "SMILES:CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2nc(-c3ccccc3)sc2N(C)CCCC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAOFQQHOTNXEON-ATDUKWRYSA-N", "SMILES:CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3CC[C@H](O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVPZZHAMJJBJY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(C#N)c(N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCNKCEIZBPALAQ-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1cc(C#N)c(N(C(=O)C2CCNCC2)S(=O)(=O)CCc2ccccc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUJGVEFQIGEKKA-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1cc(C#N)c(N(C(=O)C2CCNCC2)S(=O)(=O)Cc2cccc(F)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMOSACQMZBZDT-UHFFFAOYSA-M", "SMILES:Cc1c(N)cccc1Nc1cc(S(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBUBQGVQFORLJ-UHFFFAOYSA-M", "SMILES:Cc1cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2c(c1N)C(=O)c1ccccc1C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1671994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNCUXDSJPRQNU-UHFFFAOYSA-M", "SMILES:Cc1cc(C)cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRNZSFVTHWIMHE-UHFFFAOYSA-N", "SMILES:CC1c2cc(Oc3ccccc3)ccc2N=C(N)N1CCCC(=O)N(Cc1cnn(C)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANGXZIGMAIVISG-UHFFFAOYSA-N", "SMILES:Cn1cc(CN(C(=O)CCCN2C(N)=Nc3ccc(Oc4ccccc4)cc3C2CC2CCCCC2)C2CCCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKQTETZDVGXBV-UHFFFAOYSA-N", "SMILES:COC(=N)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEVMOFRKALLJA-UHFFFAOYSA-N", "SMILES:COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4)c3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBELDPMWYXDLNY-UHFFFAOYSA-N", "SMILES:COC(=N)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXNDDPYDWYKHX-PWSUYJOCSA-N", "SMILES:O=c1c2ccccc2nc2n1CC[C@@H]2[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIWCEXVSFHVQKB-UHFFFAOYSA-N", "SMILES:CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQKIDJVVDJFWLH-UHFFFAOYSA-N", "SMILES:CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSNBBSQPTGOIQF-UHFFFAOYSA-N", "SMILES:CC1(c2ccc(Cl)cc2)NC(=O)c2cc(Br)cc(Br)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUFVQENZSGHOHZ-VULFUBBASA-N", "SMILES:Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCZIAQMXYHQML-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1ccc2nc(-c3cc4ccccc4[nH]3)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSKOIFBYCWOXAL-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(Nc3cc(Cl)ccc3-c3ccnn32)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNUIIZKUJRIDR-UHFFFAOYSA-N", "SMILES:CC1(c2ccc(Cl)cc2)Nc2cc(Cl)ccc2-c2ccnn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJBWMPUXHQBNHR-DJKKODMXSA-N", "SMILES:Cn1c(N/N=C/c2cccc(Cl)c2Cl)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZTPGOLWZWLKBI-RQZCQDPDSA-N", "SMILES:Cn1c(N/N=C/c2ccc(O)cc2O)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZXQWOTYFRAWSY-VAWYXSNFSA-N", "SMILES:COc1cc2c(Nc3ccc(C(=O)/C=C/c4nc(C)c(C)nc4C)cc3)ncnc2c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTKQMUZFSKBUEA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2cccc(I)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSAIFNUVIABSEW-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2cccc(Br)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1568688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEKFVDHYGGXEL-UHFFFAOYSA-N", "SMILES:Oc1nc(SCc2cccc(Cl)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGOGFWQPPIWMO-XNUSDGTGSA-N", "SMILES:Cn1c(N/N=C(\\C=C\\c2cccc(Cl)c2)c2ccccc2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMNWJNNDLRAAGW-UHFFFAOYSA-N", "SMILES:NNC(=O)CN1C(=O)c2ccccc2NC1c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUQQLRXQSHPIF-XBXARRHUSA-N", "SMILES:COc1cc(/C=C/c2nc3cc(Cl)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJLGRJAYJZLONT-UHFFFAOYSA-N", "SMILES:Nc1ncc2ccc3ccncc3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTMYPIWEXZOFDM-UHFFFAOYSA-N", "SMILES:Nc1ncc2cc3cnccc3cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL355821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUFQLZTXIWKION-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CN1CCCC1=N2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1186527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIICVSCAKJMMDJ-UHFFFAOYSA-N", "SMILES:OC1CCN2Cc3ccccc3N=C12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5191163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVMLZHBDCBNQN-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1C(C1CN=Cc3[nH]c4ccccc4c31)CC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDVKNXEMRWWNI-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1C(c1cncc3[nH]c4ccccc4c13)CC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1864065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIVYZXRQHWCKF-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1CCC2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4210192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVVTWNMXEHROIA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CCCO)nc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5184601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRRXPOCAMIMYPW-UHFFFAOYSA-N", "SMILES:O=C(O)C1=Nc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODPBEOCHSYLAAK-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CN1Cc3cc(OCCCN4CCCCC4)ccc3N=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOTUSHGWTWEAM-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCN1Cc3cc(OCCCN4CCCCC4)ccc3N=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVDQRHZTBDTQBI-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCCN1Cc3cc(OCCCN4CCCCC4)ccc3N=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHVZYWOSAKGOJG-UHFFFAOYSA-N", "SMILES:c1cc2c(cc1OCCCN1CCCCC1)CN1CCCCC1=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJALVWNRLTXILY-UHFFFAOYSA-N", "SMILES:c1cc2c(cc1OCCCN1CCCCC1)CN1CCCCCC1=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHZBCNBXKITSRK-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)n(-c3ccccc3Br)c(=S)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPDRBBYEINKAK-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CCCCCCC(=O)NO)ccc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIANAUPKJGDVRP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Br)c(Nc4ccc5cn[nH]c5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSPBDWFZHKYBM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cccc(-c2nc3n(c2-c2ccnc(Nc4ccc(N5CCOCC5)cc4)n2)CCS3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFPNFAIDTHYHMR-XNTDXEJSSA-N", "SMILES:CCc1nnc2c(Nc3ccc(C(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)cc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLGUAKOUOZAAG-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(COc3cccc(F)c3)cc2)c2c(n1)[nH]c1ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWMCJDUSSENHT-UHFFFAOYSA-N", "SMILES:CCc1ccc(Cn2cc(-c3cc(-c4ccc(Br)cc4)nc(N)n3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDPMGJUGLYACC-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Cn2cc(-c3cc(-c4ccc(Br)cc4)nc(N)n3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTBLGRHKLBXAEK-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Br)cc2)cc(-c2cn(Cc3cccc(Cl)c3)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMZISWVBRKVMOJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN(C)C)NCN=C2Nc1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULBQMUKTJCSOZ-XNTDXEJSSA-N", "SMILES:CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)cc3)c2cc1NC(=O)/C=C/c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJYPJXJBKSHGY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Oc1cccc(NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)c1)=NCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJTPQEIPJLKMKX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Sc1cccc(NC(=S)Nc3ccc(Br)c(C(F)(F)F)c3)c1)=NCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORCTIWVCPEZSB-XBXARRHUSA-N", "SMILES:COc1ccc(CCOc2ccc(C(=O)/C=C/c3ccc(O)c(O)c3)cc2OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1397260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQOQENZZLBSFKO-POPPZSFYSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\\CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5193983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIQSIJCPXGLFQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2ccc(OC)c(OC)c2O)c(N)c(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLAOWFFKWRNHB-UHFFFAOYSA-N", "SMILES:O=C1CC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNQDGOOXRLOBDR-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2nnc(C)n2-c2ccc(C(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONIHSXKWNFYNNS-UHFFFAOYSA-N", "SMILES:N#CN1CCC(C(=O)Nc2ncc(N3CCOCC3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQBSDVXCDQHXJS-UHFFFAOYSA-N", "SMILES:C#CCCn1cc(-c2cccc3c2ccn3C(=O)C2CCCN2C#N)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHFKIWURWHQHE-UHFFFAOYSA-N", "SMILES:N#CN1CCCC1C(=O)n1ccc2c(-c3cn[nH]c3C(F)(F)F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPQRFPHLZZPCCH-LTGZKZEYSA-N", "SMILES:CC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372764", "category": ["biolink:ChemicalEntity"], "name": "PERIFOSINE", "xref": ["InChIKey:SZFPYBIJACMNJV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1"], "synonym": ["Perifosine", "Perifosina", "Perifosine", "Perifosine", "AEZS-104", "KRX-0401", "NSC-639966"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5197286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLQDXDHEZJXAN-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccc([N+](=O)[O-])cc2)CNCC1Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQNHUALWFENLG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCc2ccccc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORUIEMTFHZCJJ-UHFFFAOYSA-N", "SMILES:CCCOc1cc(Oc2ccccc2)ccc1COc1c(Cl)cc(C2NC(=O)NC(C)=C2C(=O)OCC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUTSLTZISBFEOJ-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(NC(=O)N3CCOC(C(=O)Nc4ccc(C#N)c(Cl)c4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHVEGQHOKDZEN-SNVBAGLBSA-N", "SMILES:C[C@@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRQHCNCFSKMLTA-OAQYLSRUSA-N", "SMILES:O=S(=O)(c1ccccc1OC(F)(F)F)N1Cc2ccccc2COC[C@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCOZQIHZZQJIS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CCO2)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJWPYDAKXNGHM-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)N1CCOc2cccc(Nc3ccccc3F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXBJJXPLDXDIL-INIZCTEOSA-N", "SMILES:Cc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAOACRGOLGSFDD-INIZCTEOSA-N", "SMILES:Cc1ncc(C(=O)Nc2cn3ccnc3c(CN3CCN(c4noc(C(C)(C)C)n4)[C@@H](C)C3)c2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAASAKPBNZZQB-UHFFFAOYSA-N", "SMILES:CC(C)CN(Cc1ccc(-c2cccc(S(C)(=O)=O)c2)s1)S(=O)(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3598141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUEKRLSPXAQNCP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFSLBRKMIIGRRO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1coc(C2c3[nH]c4ccccc4c3C(c3cc([N+](=O)[O-])co3)c3[nH]c4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPSUJGZXJJSOR-UHFFFAOYSA-N", "SMILES:c1cncc(C2c3[nH]c4ccccc4c3C(c3cccnc3)c3[nH]c4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBABGVEYUMHNU-LJQANCHMSA-N", "SMILES:CC#CC(=O)N1CCC[C@H]1n1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWSKESWDIFAFK-MUKMJDFVSA-N", "SMILES:C=CC(=O)N1CCC([C@@H]2CCNC3C(C(N)=O)C(c4ccc(Oc5ccccc5)cc4)=NN32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIFCFQDXHMUPGP-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCEWMWAJAOMTBE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc3c(n2)N(C)CN(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1921986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVVNQKCSKSHKT-OAHLLOKOSA-N", "SMILES:Cc1c(CN2CCN(C(=O)[C@@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4084907", "category": ["biolink:ChemicalEntity"], "name": "BIMIRALISIB", "xref": ["InChIKey:ADGGYDAFIHSYFI-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1"], "synonym": ["Bimiralisib", "Bimiralisib", "Pqr309", "NC-B5", "NCB5", "PI3K-IN-2", "PQR-309", "PQR309", "Bimiralisib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPZSLSWQVQLJD-UHFFFAOYSA-N", "SMILES:COc1c(OCCCCCC(=O)NO)ccc2c1N=C(NC(=O)c1ccccc1)N1CCN=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZXOONCOOUUMBC-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCN(C)c3ncc(C(=O)NO)cn3)c3nc(N)nc(C)c3c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QISBFEKHFJGYOB-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCCC(=O)NO)c3nc(N)nc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALYIKFVWRDRAP-CIAFOILYSA-N", "SMILES:O=C(NO)c1ccc(/C=N/NC(=O)c2ccnc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZWWJVBXNJUROC-PZPBRRGHSA-N", "SMILES:CC1(C)[C@@H](OC(=O)c2ccccc2C(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCHLJHIZYCJIRV-UHFFFAOYSA-N", "SMILES:CCn1c(CNc2ccc(C(=N)N)cc2F)nc2cc(C(=O)N(CCC(=O)O)c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTENLGUOGPNQJN-UHFFFAOYSA-N", "SMILES:CCn1c(CNc2ccc(C(=N)N)cc2F)nc2cc(C(=O)N(CCC(=O)O)c3ccccc3C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAVOSXMRECUDQH-UHFFFAOYSA-N", "SMILES:CCn1c(CNc2ccc(C(=N)N)cc2F)nc2cc(C(=O)N(CCC(=O)O)c3cccc(OC)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPSNCXSWJKHOLW-UHFFFAOYSA-N", "SMILES:CCn1c(CNc2ccc(C(=N)N)cc2F)nc2cc(C(=O)N(CCC(=O)O)c3cccc(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWSZWQUPJQUBF-UHFFFAOYSA-N", "SMILES:CCn1c(CNc2ccc(C(=N)N)cc2F)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNAVWTDHTHRKFC-UHFFFAOYSA-N", "SMILES:CCn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccc3F)ccc21"]}
{"name": "Coagulation factor X", "xref": ["CHEMBL.TARGET:CHEMBL5169103"], "id": "UniProtKB:O88947", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASOOXFMUHHOUOF-JTQIOGRKSA-N", "SMILES:CC(=N)N1CCC(Oc2ccc3c(c2)C(=O)NS(=O)(=O)N3C/C=C/c2cccc(C(=N)N)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEUHUMKNZYJASW-UHFFFAOYSA-N", "SMILES:CC(=N)N1CCC(Oc2ccc3c(c2)C(=O)NS(=O)(=O)N3CC(=O)Nc2cccc(C(=N)N)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20240", "category": ["biolink:ChemicalEntity"], "name": "YM-60828", "xref": ["InChIKey:NPBKHEMDWREFJJ-UHFFFAOYSA-N", "SMILES:CC(=N)N1CCC(Oc2ccc(N(Cc3ccc4ccc(C(=N)N)cc4c3)S(=O)(=O)CC(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKOXXIZJSVHLKU-UHFFFAOYSA-N", "SMILES:CC(=N)N(C)c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL168946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPJYKPVEZLUPC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDNNQWBDYFHHSY-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(Cl)c(-c2cc(N)cc(C(=O)O)c2)n(CC(=O)NCc2ccc(C(=N)N)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKHZSUUAAYJFJX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)ccc1O)c1cc2cc(Cl)cc(Br)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYFJTCMGWLBLPG-UHFFFAOYSA-N", "SMILES:O=C1CNC(=O)C(Cc2c[nH]cn2)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL129841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCPLITQNIFLYQB-XLPZGREQSA-N", "SMILES:CNc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZJPSRVAZOKSZ-UHFFFAOYSA-N", "SMILES:CNc1ncnc2c1ncn2CCC(COP(=O)(O)O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNKXGOOONVKRHI-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2CCC(COP(=O)(O)O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL320924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDQIDHFIWVGBNJ-UHFFFAOYSA-N", "SMILES:CNc1ncnc2c1ncn2CC(COP(=O)(O)O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCUIIHBWNOHIM-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2CC(COP(=O)(O)O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSMYJUNXWBCYLI-UHFFFAOYSA-N", "SMILES:CCC(=O)c1n[nH]c2ccc(-c3ccccc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVBSGFYSYKBMIG-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc3ccncc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALCJHEHAIODSCG-UHFFFAOYSA-N", "SMILES:c1cc(NC2CCCNC2)c2ccncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTJHXOPWIGBYGG-KRWDZBQOSA-N", "SMILES:Nc1ccc(-c2cc(N[C@H]3CCCCNC3)c3ccncc3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNKRNQWEDZCFZ-ZDUSSCGKSA-N", "SMILES:c1cc2cc(O[C@H]3CCNC3)ccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWAMYTWSGMGLHQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cncc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVZVAORORKNHF-KRWDZBQOSA-N", "SMILES:c1cc2cc(-c3cncc4ccc(O[C@H]5CCNC5)cc34)cnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGQOLRWLPQPKLV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccnc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGPJTWFNIVZVBE-VQTJNVASSA-N", "SMILES:Cc1cc(-c2cc(C(F)(F)F)ccc2O[C@H]2C[C@@]2(CN)c2ccc(F)cc2F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGQLQUJVSPTQNZ-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc2[nH]c(=O)cc(C(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKZRAAHCZTDQA-PSIUFMSWSA-N", "SMILES:Cc1[nH]nc2[nH]c(=O)cc(C3C[C@H]4C[C@@H]3C[C@@H]4CC#N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHIJCVCCKVZBHE-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQZTVBGPAZGVHT-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1-c1cncc(-c2ccc(C(N)=O)c(OC(C)C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMVVAHZLDYMIPY-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2cccc(CN)c2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTPAEYFNPBMTQF-WHEKYOLUSA-N", "SMILES:O=C(O)/C=C1/OC(=O)N2CCC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOHDHMNXATIDC-MSIOFZDNSA-N", "SMILES:CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2OCC(F)(F)F)cc1)C(=O)/C=C1/OC(=O)N2CCC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOFLKIRLUFZCHR-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZALPKMIIYFLAP-UHFFFAOYSA-N", "SMILES:OCCCc1ccc(OCc2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4649188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAYKWAQYWCIDKM-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(OCc2ccccc2)cc1)Nc1nc(C(F)(F)F)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOQDJCUHPQCRG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(=O)n(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSHVVXWYKDTTQ-UHFFFAOYSA-N", "SMILES:COCC(COC)n1c(-c2cc(C)c(=O)n(C)c2)nc2cc(N3CCOCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKTUSCZNSARQMH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(=O)n(Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONKZEWAZPHILC-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)n2cc[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWLSDMWWFVXHR-PTNGSMBKSA-N", "SMILES:O=C1NC(Nc2ccccc2)=N/C1=C\\c1ccc2c(c1)OCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEXMGAAHJOEIB-PDGQHHTCSA-N", "SMILES:O=C1NC(Nc2ccc(N3CCCCC3)cc2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYHKEGKDOOZETF-UVTDQMKNSA-N", "SMILES:O=C1NC(Nc2ccccc2)=N/C1=C\\c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGKOSKZCLZXDJI-PTNGSMBKSA-N", "SMILES:O=C1NC(Nc2ccccc2)=N/C1=C\\c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNVNTCGESXSFD-VBKFSLOCSA-N", "SMILES:O=C1NC(Nc2ccccc2)=N/C1=C\\c1ccc2c(c1)CCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOIDNQUVCIRHX-WQLSENKSSA-N", "SMILES:O=C1NC(Nc2ccccc2)=N/C1=C\\c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSEOLUNNBOQVET-PTNGSMBKSA-N", "SMILES:COc1ccc(/C=C2\\N=C(Nc3ccccc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTRPXSAPSNQEEK-LCYFTJDESA-N", "SMILES:COc1ccc(/C=C2\\N=C(Nc3ccccc3)NC2=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHRKMTLVKUCRFN-PTNGSMBKSA-N", "SMILES:COc1cccc(/C=C2\\N=C(Nc3ccccc3)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUXDJIVNVOOKFQ-LCYFTJDESA-N", "SMILES:COc1cc(/C=C2\\N=C(Nc3ccccc3)NC2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFOKBIHGJCPFDD-UVTDQMKNSA-N", "SMILES:O=C1NC(Nc2ccccc2)=N/C1=C\\c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGPHHJBZEGSUNE-AAMUNQNUSA-N", "SMILES:[2H]C1([2H])Oc2ccc(/C=C3\\N=C(Nc4ccccc4)NC3=O)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEKHAAGMBNNNBX-WJDWOHSUSA-N", "SMILES:C/C(=C1/N=C(Nc2ccccc2)NC1=O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXMBELSQFPSMO-UHFFFAOYSA-N", "SMILES:O=C1NC(Nc2ccccc2)=NC1Cc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YASSUQGNEXYLNC-DHDCSXOGSA-N", "SMILES:O=C1N=C(Nc2ccccc2)S/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXMXIHBLICGPMG-UITAMQMPSA-N", "SMILES:CCSC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRABMMXJICHILK-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccc3c(c2)OCO3)nc1N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1803069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQGLPYHETIJRBX-ZROIWOOFSA-N", "SMILES:CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYIOAOFYWZXKEX-POHAHGRESA-N", "SMILES:CCCNC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWXBOBKZVIVOW-XFFZJAGNSA-N", "SMILES:CCCNC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKVROFXUORCBNY-LCYFTJDESA-N", "SMILES:CCCNC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WETOEUBIZDVKBC-WJDWOHSUSA-N", "SMILES:CCCNC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZMFVJNZGKELJC-POHAHGRESA-N", "SMILES:CCSC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JANQPHRPUAYQTA-POHAHGRESA-N", "SMILES:CCCSC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXIAMCZUNQBRTJ-XFFZJAGNSA-N", "SMILES:CCCSC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYMGORXOQPTTO-CLTKARDFSA-N", "SMILES:NC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAYXGFSGXGZZCZ-ZROIWOOFSA-N", "SMILES:CN(C1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWFKLSBHHHHTF-YWEYNIOJSA-N", "SMILES:CNC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXSEYUOXKGIMM-XFFZJAGNSA-N", "SMILES:O=C1NC(N2CCCC2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEKFXUFACKZUCV-WQLSENKSSA-N", "SMILES:O=C1NC(N2CCCCC2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHUALHRRYFDDKC-XFFZJAGNSA-N", "SMILES:O=C1NC(N2CCOCC2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIEPXFZAJZPNFG-UITAMQMPSA-N", "SMILES:CCNC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGGNWMQODZFHNG-GHXNOFRVSA-N", "SMILES:O=C1NC(NC2CCNCC2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCTMVDQWYGRUJK-XFFZJAGNSA-N", "SMILES:O=C1NC(Nc2ccccn2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZULRTVXPNQNP-QPEQYQDCSA-N", "SMILES:O=C1NC(Nc2ccc(F)cc2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRXQWLCJHMDEDM-MLPAPPSSSA-N", "SMILES:O=C1NC(Nc2cccc(F)c2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKNIGLLNHUTMPO-XGICHPGQSA-N", "SMILES:O=C1NC(Nc2ccc(O)c(F)c2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGNMDTYOWQXQC-QPEQYQDCSA-N", "SMILES:O=C1NC(Nc2ccc(O)cc2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGUVGLVHRPLWRS-ZSOIEALJSA-N", "SMILES:COc1ccc(NC2=N/C(=C\\c3ccc4c(c3)OCO4)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1803084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITOTZLBIDAOTGK-ZSOIEALJSA-N", "SMILES:Cc1ccc(NC2=N/C(=C\\c3ccc4c(c3)OCO4)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAKDCYWBXLUPQD-NVNXTCNLSA-N", "SMILES:Cc1ccc(NC2=N/C(=C\\c3ccc4c(c3)OCO4)C(=O)N2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWQLICNQHCLBLQ-NVNXTCNLSA-N", "SMILES:Cc1ccc(NC2=N/C(=C\\c3ccc4c(c3)OCO4)C(=O)N2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEULNCNLILYLK-NVNXTCNLSA-N", "SMILES:Cc1ccc(C)c(NC2=N/C(=C\\c3ccc4c(c3)OCO4)C(=O)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBWVVJQRRKWYQA-UYRXBGFRSA-N", "SMILES:CCCCCCc1ccc(NC2=N/C(=C\\c3ccc4c(c3)OCO4)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRVRSEHLJQHGFO-AQTBWJFISA-N", "SMILES:COc1cc(/C=C2\\N=C(Nc3ccc(N4CCN(C)CC4)cc3)NC2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHFZBEVYEKAPDN-UNOMPAQXSA-N", "SMILES:O=C1NC(Nc2ccc(-c3ccccc3)cc2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYDNJFYIGFQFE-ATVHPVEESA-N", "SMILES:O=C1NC(N2CCC(N3CCCCC3)CC2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBPHXFEWBJMNT-AQTBWJFISA-N", "SMILES:COc1cc(/C=C2\\N=C(Nc3ccc(N4CCCCC4)cc3)NC2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBFOGRDEYAYPMV-BOPFTXTBSA-N", "SMILES:O=C1NC(Nc2ccc(N3CCNCC3)cc2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBEJWIXOAHFCCE-AQTBWJFISA-N", "SMILES:O=C1NC(Nc2ccc(N3CCNCC3)cc2)=N/C1=C\\c1ccc2c(c1)OC=CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMMKVTXEDIDGGS-ATVHPVEESA-N", "SMILES:COc1cc(/C=C2\\N=C(Nc3ccc(N4CCNCC4)cc3)NC2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKXDWZBWZQHPCO-PDGQHHTCSA-N", "SMILES:CN1CCN(c2ccc(NC3=N/C(=C\\c4ccc5c(c4)OCO5)C(=O)N3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJFIKRCFDAMOMY-RGEXLXHISA-N", "SMILES:CN1CCN(c2ccc(NC3=N/C(=C\\C4=COc5ccccc5O4)C(=O)N3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLOKDFAILZNLKF-AQTBWJFISA-N", "SMILES:O=C1NC(N2CCN(c3ccc(F)cc3)CC2)=N/C1=C\\c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFLXYSRIPKXGOQ-YWEYNIOJSA-N", "SMILES:CSC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNEMOONNXBNRSX-PDGQHHTCSA-N", "SMILES:CCCCCOc1ccc(NC2=N/C(=C\\c3ccc4c(c3)OCO4)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQUUIDMAVBHSKQ-UNOMPAQXSA-N", "SMILES:O=C1NC(Nc2ccc(Oc3ccccc3)cc2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"name": "Dual specificity protein kinase CLK3", "xref": ["CHEMBL.TARGET:CHEMBL1075282"], "id": "UniProtKB:O35492", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHPZTPMRAYMVRE-LGMDPLHJSA-N", "SMILES:CCCCOc1ccc(/C=C2\\N=C(Nc3ccccc3)NC2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBNKEANYJCQEQI-KAMYIIQDSA-N", "SMILES:O=C1NC(Nc2ccccc2)=N/C1=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIELUZOJBTTXGH-UVTDQMKNSA-N", "SMILES:O=C1NC(Nc2ccccc2)=N/C1=C\\c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZJOXIRSPITLIG-RGEXLXHISA-N", "SMILES:CCCCCCc1ccc(NC2=N/C(=C\\c3ccc(O)c(OC)c3)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTAPGQZXANKFJY-JTQLQIEISA-N", "SMILES:O=C(O)CC[C@H](NC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZKACDRKIHSSEU-UHFFFAOYSA-N", "SMILES:CCCCc1nc(Cl)c(COC(=O)CCC(=O)Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc2O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUENKHCFEPYXQJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc(Cl)c(COC(=O)CCC(=O)Oc2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc2O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIAQSYRYNLMLK-UHFFFAOYSA-N", "SMILES:Cl.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CN3CCCC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDXCVOSTAICNR-UHFFFAOYSA-N", "SMILES:Cl.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CN3CCOCC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGXDFHCOUUYMQG-UHFFFAOYSA-N", "SMILES:Cl.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CN3CCSCC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRIAXBXIFGJSJO-UHFFFAOYSA-N", "SMILES:COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPZJRCXPCGZJCY-UQBKYUINSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATBBTRECYJTEP-XYFUKPFPSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVZGUKSMLSUDCG-PYGAOQJHSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVNIRYKOOCEIKH-DEUJINQISA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQDZGVKQZOSOP-YVIAKKBSSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXFANJXIXZVQF-OZBXUNDUSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOFYKQRPLIWTL-POWYGARRSA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPPUMPUWHRNDMW-UJLGHMMASA-N", "SMILES:C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDQXVLDMHVDKTN-XMUXIZPSSA-N", "SMILES:NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFCZQOQWOKJMP-QDRJTDBGSA-N", "SMILES:NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJSRWAACLOYAQ-JFQCQQJMSA-N", "SMILES:NC(=O)CNC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYTZPYCAZLSMRX-LUKCZKMGSA-N", "SMILES:NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVGCGXJRNVTFP-LYXINOJLSA-N", "SMILES:N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNCXEIEPLRPCR-DZUOILHNSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMFJIMTIXQDHF-KRCBVYEFSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCJBMLSOAIPBH-ORYMTKCHSA-N", "SMILES:CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNPFTWIZSKVYAK-OITLVIEGSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUELGZQCDVYIIV-QVKLTZRHSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWPDVLMKCHLLPS-CCKFTAQKSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVAHGMTRWGMTB-JBXUNAHCSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5178409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFXDJATKPXTFF-GQFFIINBSA-N", "SMILES:CC[C@@H]1CN2CC[C@]3(O)c4c(cccc4OC)NC3[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTGAFPCFDZVZGB-LUIGENPXSA-N", "SMILES:CCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOFBDNYRDJOCK-CYZUTBKYSA-N", "SMILES:CCCCCCCCC(N)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPMZJUWJIEYBH-DUQWPARQSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVBGVSFZIBQZKG-DUQWPARQSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1927270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFIVOHFTMYGLC-JZVHMONDSA-N", "SMILES:NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFHXQWPLYDZTA-HLSTZTJOSA-N", "SMILES:CCNC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGOBWUVBBDSDY-PTPGRJQPSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](c2ccccc2)NC(=O)[C@H](c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVFKLUAKDVBSKD-LNAXGRFASA-N", "SMILES:Cc1ccccc1[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHZLZLDHCCQNJ-LNAXGRFASA-N", "SMILES:Cc1cccc([C@@H]2NC(=O)[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](c3ccccc3)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNGUHWBCIUDRW-LNAXGRFASA-N", "SMILES:Cc1ccc([C@@H]2NC(=O)[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](c3ccccc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTCYLNIYOGDBRA-LNAXGRFASA-N", "SMILES:Cc1ccccc1[C@@H]1NC(=O)[C@H](c2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CCCCNC(=O)C[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPUGUUOFLQDLKX-LNAXGRFASA-N", "SMILES:Cc1cccc([C@@H]2NC(=O)[C@H](c3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)CCCCNC(=O)C[C@@H](C(N)=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNGGDWBEYATES-LNAXGRFASA-N", "SMILES:Cc1ccc([C@@H]2NC(=O)[C@H](c3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)CCCCNC(=O)C[C@@H](C(N)=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMBFONOWDRHJW-BVGQSLNGSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5209004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYQFQPLBIBLJE-NKQYGYANSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBRCSEVKVDPXJO-IUCALIBESA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYLFTMZRDHRIF-WUXKFAKNSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKAKFHGIXCCTGS-CRNKYVSFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJWLOSBQHTHCK-HBMCJLEFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLABQYMRILRFD-ZCNNSNEGSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1355638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WASWOPUPHSYARB-BDTNDASRSA-N", "SMILES:CN(CC(=O)O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZZXPICHPMPDR-NWDGAFQWSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIAKHZXVLBNZLW-NFGXINMFSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXGJDILSMMVXLA-FSSWDIPSSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNNLHOZYSHQGCR-VJBWXMMDSA-N", "SMILES:CN(CCC(=O)O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=N)N"]}
{"name": "Mu-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL3041"], "id": "UniProtKB:P79350", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZJWWQFOGQPRY-GCXHJFECSA-N", "SMILES:O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5182362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUDCPUMJPNZRR-OWYCYUENSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUJYBVQBRVTFJ-LIIDCPKUSA-N", "SMILES:C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVDKFKCFKUUJB-OWYCYUENSA-N", "SMILES:C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTBLKAZGCWAXOX-AGOPTVSRSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZJWWQFOGQPRY-IBHPWDLASA-N", "SMILES:O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5170333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZJWWQFOGQPRY-GOGZTAQTSA-N", "SMILES:O=C1N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5208209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZJWWQFOGQPRY-GKIKGMKOSA-N", "SMILES:O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5186247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZJWWQFOGQPRY-VZNYXHRGSA-N", "SMILES:O=C1N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5186887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAFSLIGIDICZRF-UTFYOTOKSA-N", "SMILES:COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(CO)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZJWWQFOGQPRY-RRGQHJHPSA-N", "SMILES:O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL499595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUDCPUMJPNZRR-UYGLSEIWSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUJYBVQBRVTFJ-UQMGHXSLSA-N", "SMILES:C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVDKFKCFKUUJB-QQJYNPJZSA-N", "SMILES:C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTBLKAZGCWAXOX-KDXIVRHGSA-N", "SMILES:C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHVQTLHHZZTMJ-GWNIIIPKSA-N", "SMILES:CC[C@@H]1CN2CC[C@@]34OCCO[C@@]3(Nc3ccc(F)c(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFXDJATKPXTFF-LIMHOZKTSA-N", "SMILES:CC[C@@H]1CN2CC[C@]3(O)c4c(cccc4OC)N[C@@H]3[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKMVCOVCNPWGTO-CMWCKQEVSA-N", "SMILES:CC[C@@H]1CN2CC[C@]3(O)c4c(ccc(F)c4OC)N[C@@H]3[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPFVFWZGNRKYFG-ZWLNRFIDSA-N", "SMILES:CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381583", "category": ["biolink:ChemicalEntity"], "name": "22-THIOCYANATOSALVINORIN A", "xref": ["InChIKey:AZPUAKGNQXURGA-ZWLNRFIDSA-N", "SMILES:COC(=O)[C@@H]1C[C@H](OC(=O)CSC#N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGAIAZHLPAWOB-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCN5CCCC5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYDIXCPNMJMEZ-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTRIQLYUAFVSC-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSFGOMGNQLGMTJ-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCC(C)(C)CC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFRULBMAGCYDD-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCC3(CC3)CC1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXQWMSFNNLRSH-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(N1CC3CCC(C1)O3)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFHDPEUUMQGLHK-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(N1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQISTKIKFSYORL-CYBMUJFWSA-N", "SMILES:Cc1ncc(-c2cc(NC[C@@H](C)c3cccc4c(-c5noc(=O)[nH]5)ccnc34)ncn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACJFCWSLCJDMC-HNNXBMFYSA-N", "SMILES:Cc1ncc(-c2cc(NC[C@H](C)c3cccc4c(C5=NCCN5)ccnc34)ncn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBQVUYKRPMMEY-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEEWMPGIDIHTDI-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3cc(-c4ncnc5cc(N6CCOCC6)ccc45)c(F)cc3Cl)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNETUVMFOUXHNZ-UHFFFAOYSA-N", "SMILES:CCc1ncc(S(=O)(=O)Nc2cc(-c3ccc4ncc5c(c4c3)C3(CCC3)C(=O)N5C)cnc2OCCCN(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEEIJHAKEWVFES-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cc1NS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFWYEEVFJPICCQ-LMMKCTJWSA-N", "SMILES:C[C@@H]1CN(c2cc(O[C@H]3CC[C@@H](Nc4ncccn4)CC3)c3nccnc3c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKUUWPBNODQBF-FZNQNYSPSA-N", "SMILES:O=c1[nH]c(N[C@H]2CC[C@@H](Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDFQFCRUNLBZKM-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBAVJCPTDOUIT-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)nc(N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEHFLKQODURKT-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTCKATZPLYUCW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIQDGVXNWJAUNO-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKTMMORAVFTJMW-LJQANCHMSA-N", "SMILES:NC(=O)c1cccc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKTMMORAVFTJMW-IBGZPJMESA-N", "SMILES:NC(=O)c1cccc2cn(-c3ccc([C@]4(F)CCCNC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVUZHWNFFVLLQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHYRUWAZWACFJL-HNNXBMFYSA-N", "SMILES:C[C@H]1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccn2)CCN1C(=O)C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYKUOCEYSQCNG-UHFFFAOYSA-N", "SMILES:CCOC(=O)NCCCOc1cc(F)cc(OC)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAAWSPMLCMFRMK-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIFACLMKNBBLM-FQEVSTJZSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)OC[C@@H]3CN(C)CCN43)nc2n1-c1ccc(C(C)(C)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYPYSQXHFNENF-RTWAWAEBSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)OC[C@@H]3C[C@@H](N(C)C)CN43)nc2n1-c1ccc(C(C)(C)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFVDDKJEZSPBZ-ZRZAMGCNSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4C[C@H]5CN(CC6CC6)C[C@H]5C4)cc3)nc2n1-c1ccc(C(C)(C)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCVVNCJKWVXSQ-BGYRXZFFSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4C[C@H]5CN(C)C[C@H]5C4)cc3)nc2n1-c1ccc(C(C)(C)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENAKPQKNQSLHJ-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)CCN(c1ccc(Nc3ncc4cc(C5CC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUZBDPEQYFLBF-BWMKHVPASA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n5n(c4n3)-c3cccc(n3)[C@@](C)(O)CCC/C=C\\C5)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHODWFOTZNCKRP-XQRVVYSFSA-N", "SMILES:CN1CC2CN(c3ccc(Nc4ncc5c(=O)n6n(c5n4)-c4cccc(n4)C(C)(O)CCC/C=C\\C6)cc3)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHNQTSIKGHVBH-ANULTFPQSA-N", "SMILES:CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5197302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSGQGNQWBLYHPE-CFUSNLFHSA-N", "SMILES:C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5192080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VITDUFOVEYKVST-WMLRVYEPSA-N", "SMILES:CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H]([C@@H](C)C[C@]12C)[C@H]1CCC(=O)C=C1C[C@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPVXUVRRPAUIQ-GOSISDBHSA-N", "SMILES:CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(C)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPONBLYNQFHCLA-QGZVFWFLSA-N", "SMILES:CN1C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@@]1(C)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSJITESRNGQNSL-KRWDZBQOSA-N", "SMILES:CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJORAMIZFOODM-RWANSRKNSA-N", "SMILES:Cc1c(N2C(=O)C3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1288321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZXBEIHRSWLQHT-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)CCCc2c1[nH]c1cc(Cl)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRLFPURXVGRESW-LLVKDONJSA-N", "SMILES:O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](C(F)(F)F)N3CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1367504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSVURNLFBWCHH-UHFFFAOYSA-N", "SMILES:Cc1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULBPQWIGZUGPHU-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1"], "synonym": ["LGD-2226"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTNLJGXVPIZND-CABZTGNLSA-N", "SMILES:Cc1c(N2CC[C@H](O)[C@@H]2C)ccc(C#N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXYYUPBCKQHBM-HZMBPMFUSA-N", "SMILES:Cc1c(N2CC[C@](C)(O)[C@@H]2C)ccc(C#N)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQBTMVNFWIQQC-RYUDHWBXSA-N", "SMILES:CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDQOWOXOPKOJU-UHFFFAOYSA-N", "SMILES:Cc1c(C(C)(C)C(O)C(F)(F)F)ccc(C#N)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPRIQIQXZRSMBO-UHFFFAOYSA-N", "SMILES:Cc1c(C(C)(O)C(F)(F)F)ccc(C#N)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUBZQPZCKXOXRO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(O)(c2cocn2)C(F)(F)F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL125663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJMFOTCDISOHDX-MRXNPFEDSA-N", "SMILES:C[C@@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSZCFAPSDTELY-GOSISDBHSA-N", "SMILES:C[C@@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(I)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL511130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVXVTLGIDOACBJ-GOSISDBHSA-N", "SMILES:CC(=O)Nc1ccc(OC[C@@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGVJMBLXIUVRD-GOSISDBHSA-N", "SMILES:C[C@@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL48159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSWNDMHSBZXKX-SNVBAGLBSA-N", "SMILES:C[C@@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBLEKKYWFJKBP-WVKPZMKKSA-N", "SMILES:CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(C(=O)Nc5ccccc5C(F)(F)F)CC[C@H]4[C@@H]3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDZSNUSVHSSQI-JTQLQIEISA-N", "SMILES:C=C[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZPPQFARTYXRKU-UHFFFAOYSA-N", "SMILES:CCC1CCNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21"], "synonym": ["LGD-121071"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYRAMLWMYTUZOC-UHFFFAOYSA-N", "SMILES:CC1c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N(CC(F)(F)F)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAZWTOSVBYMAV-UHFFFAOYSA-N", "SMILES:CCc1c(C)c2c3c(C(F)(F)F)cc(=O)[nH]c3ccc2n1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXGOGXEWUCLFI-UHFFFAOYSA-N", "SMILES:CCc1c(C)c2c3c(Cl)cc(=O)[nH]c3ccc2n1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXSKRDFNTBCWQQ-UHFFFAOYSA-N", "SMILES:CC(C)N1CC(C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRZFRLQNHKDCY-UHFFFAOYSA-N", "SMILES:CC(C)(CO)C1Nc2ccc([N+](=O)[O-])cc2C2C=CCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPZEMAXCUIMQQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc2c1OCC(=O)NC2C(=O)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USVVDHAIRZSKRE-UHFFFAOYSA-N", "SMILES:O=C1COc2c(Cl)cc(Cl)cc2C(C(=O)Nc2ccc(C(F)(F)F)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYXQFJDQDXLTHH-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(c4ccc(C(C)(C)C)cc4OCC)=NC(c4ccc(Cl)cc4)C3c3ccc(Cl)cc3)CC2=O)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTUKQKTXYTWPD-UHFFFAOYSA-N", "SMILES:N#Cc1c2c(c3nncn3c1NCc1ccco1)CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQBUBGQBZCBSB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2nncn2c1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPEJVECSXSDQBF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CC=C(c2cnc(NCC3Cc4cc(F)ccc4O3)n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZPBBFNYERAEOH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CC=C(c2cnc(NCC3Cc4cc(F)ccc4O3)n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSMZSMZYMPZXHQ-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2cnc(NCC3Cc4cc(F)ccc4O3)n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCRMRSBJHAPOQV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC=C(c2cnc(NCC3Cc4cc(F)ccc4O3)n3cnnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFZDSVXHNRVJV-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQECZDLCJWLHIF-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2cnc(NCC3Cc4cc(F)ccc4O3)c3cncnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPYFHCXTNEVBS-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERCYUXHKUHKGH-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2cnc(NCC3Cc4cc(F)ccc4O3)c3nncn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDYGLRJTSMPXDG-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)n2cc(C#N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSZYOFXLRJGTGC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(NCC3Cc4cc(F)ccc4O3)n3cc(C#N)nc23)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLVPYYDXFXKDQC-KBMKNGFXSA-N", "SMILES:[2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1c(F)ccc2c1CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWTSSRABGHQCLL-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2c(F)ccc3c2CCO3)sc1-c1ccnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFSFPATWOKGHB-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1sc(NCc2c(F)ccc3c2CCO3)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRBFSPXSSUIMQI-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2cccc3c2OCO3)sc1-c1ccn(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067682", "category": ["biolink:ChemicalEntity"], "name": "POCIREDIR", "xref": ["InChIKey:JQBUTSBIFNKJMW-CYBMUJFWSA-N", "SMILES:Cc1ncccc1-c1cc2c(n3cnnc13)NCc1c(F)ccc3c1[C@H](CO3)CO2"], "synonym": ["Pociredir", "Pociredir", "Pociredir", "Pociredir", "FTX-6058", "Pociredir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDORQAZNJOIXPJ-KXULKXHNSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)/C=C/c1ccc(-c2ccccc2)cc1)P(=O)(OCC)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVJNSVNICWODC-DEWJTGPOSA-N", "SMILES:CN(C)[C@@H]1CN(C2CCc3cccc(F)c32)C[C@H]1c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAWMNFFOVCNWGF-OIBXWCBGSA-N", "SMILES:CN(C)[C@H]1CN([C@H]2CCc3cccc(F)c32)C[C@@H]1c1cn(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOBDFFCDGTMLE-GNFFXYLRSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COc2ccc(OCCNC(=O)CCc3ccc(-c4cnc(NCc5c(F)ccc6c5CCO6)n5cnnc45)c(N)n3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4596515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKLJSLPSPDIEF-UHFFFAOYSA-N", "SMILES:NC1CC1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802155", "category": ["biolink:ChemicalEntity"], "name": "VAFIDEMSTAT", "xref": ["InChIKey:XBBRLCXCBCZIOI-DLBZAZTESA-N", "SMILES:Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1"], "synonym": ["Vafidemstat", "Vafidemstat", "ORY-2001"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUFWOZKUTQFKDJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(c1cc(OC)c(OC)cc1O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL608561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQCGANOTXJOPB-UHFFFAOYSA-N", "SMILES:CCCC(=O)NC(c1ccc(N(CC)CC)cc1)c1cc(Cl)c2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZUYWSXCXDSBU-GENPEDOBSA-N", "SMILES:CC1(C)C(N[C@@H]2C[C@H]2c2ccccc2)CCC1N[C@@H]1C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKYYBHEDPZXOA-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)NC2CC2c2cc(F)cc(F)c2OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMBVOXVYRKHBG-KMARCDCTSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)N[C@@H](CCCCN(C)[C@@H]2C[C@H]2c2ccccc2)C(=O)NC2(C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)CCCCC2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGZONGAQHTVNAE-UHFFFAOYSA-N", "SMILES:N#Cc1c(Nc2cccc(C(F)(F)F)c2)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNKFFCBZYFGCQN-ARBMFGAVSA-N", "SMILES:O=C(/C=C/c1ccc(O)c2c1[C@H](C(=O)OC(Cc1ccc(O)c(O)c1)C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1917176", "category": ["biolink:ChemicalEntity"], "name": "DEHYDROCORYDALINE", "xref": ["InChIKey:RFKQJTRWODZPHF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(C)c3ccc(OC)c(OC)c3c[n+]1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513373", "category": ["biolink:ChemicalEntity"], "name": "ISOGERMAFURENOLIDE", "xref": ["InChIKey:IEOHWPUTLCTSCQ-KCQAQPDRSA-N", "SMILES:C=C[C@]1(C)C[C@@H]2OC(=O)C(C)=C2C[C@H]1C(=C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5204771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCFBPOHRCMWLV-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2CCCN3Cc2ccc(OC3CCNCC3)cc2)cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYJGYSDZWHDQV-UHFFFAOYSA-N", "SMILES:COCc1cccc(NC(=O)c2cc3ccccc3n2C)c1COc1ccc(OCC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNQEOKFQDZVOC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CCSC(=S)N2CCN(C)CC2)c2cc(OC)c(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVKZAFEAVEIAS-JLHYYAGUSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=S)SCC(=O)Nc2ccc(C(=O)/C=C/c3ccccc3F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNZBTOXJQFMTHW-BOYDWSSTSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCNUDCKHDONDSL-WNPYTAHWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWUNAYRNISPLQE-MYDTUXCISA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccc(F)c3)n2)cc1"]}
{"name": "Probable JmjC domain-containing histone demethylation protein 2C", "xref": ["CHEMBL.TARGET:CHEMBL3792271"], "id": "UniProtKB:Q15652", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHBBJMYKSTGHD-MYDTUXCISA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccccc3)n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5173150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRGFGTAEGFDNMG-QEGGNFSNSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccc(C(C)(C)C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVKIUGNQLIXRE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)c(=O)c2c(O)c(O)cc(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXODHAJHHGWJV-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCc1cc2ccccc2[te]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVZDCFVPSXAAF-LLVKDONJSA-N", "SMILES:Cc1cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)O)c2c3c(c(=O)oc2c1)CCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5199483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSYJKVLAIVFBBK-UHFFFAOYSA-N", "SMILES:CCCCCCN(C)CCn1cc(-c2cc(C(=O)O)ccn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFLSMZLRSPALU-MRVPVSSYSA-N", "SMILES:O=C(O)[C@H](O)Cc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5196038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFQXQCEEPCZMO-KATYHMCLSA-N", "SMILES:O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL70927", "category": ["biolink:ChemicalEntity"], "name": "DEFERIPRONE", "xref": ["InChIKey:TZXKOCQBRNJULO-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1C"], "synonym": ["Deferiprone", "Deferiprone", "Deferiprone", "Deferiprone", "Deferiprone", "Deferiprone", "Deferiprona", "Deferiprone", "Deferipron", "Deferiprone", "APO-066", "APO-66", "CP-20", "CP20", "DN-180-01-AF", "DN-18001AF", "L-1", "L1", "NSC-758880", "PL-1", "PL1", "Deferiprone lipomed", "Ferriprox", "Deferiprone"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Ubiquitin-like modifier-activating enzyme 1", "xref": ["CHEMBL.TARGET:CHEMBL5169143"], "id": "UniProtKB:Q02053", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ubiquitin-like modifier-activating enzyme 6", "xref": ["CHEMBL.TARGET:CHEMBL2321622"], "id": "UniProtKB:A0AVT1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTRUHFXPVXWRD-QTQZEZTPSA-N", "SMILES:CCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCOPIZAOPFHPW-JSJNYSNDSA-N", "SMILES:COC(=O)N1CCC2(CC1)C[C@H](Nc1ncnc3c1nnn3[C@@H]1C[C@@H](COS(N)(=O)=O)[C@@H](O)C1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487992", "category": ["biolink:ChemicalEntity"], "name": "GARTANIN", "xref": ["InChIKey:OJXQLGQIDIPMTE-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)ccc(O)c3c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1257094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVDXNJRUNJMYOZ-DHXVBOOMSA-N", "SMILES:CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYTGWTBNDXWMMB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1ccccc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHAVEYUXRBIMLA-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092562", "category": ["biolink:ChemicalEntity"], "name": "PF-05180999", "xref": ["InChIKey:CLGCHUKGBICQTE-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12"], "synonym": ["Pf-05180999", "PF-05180999", "PF-999"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHYTJCPYRCAPM-UHFFFAOYSA-N", "SMILES:COc1ccc2nnc3c(C)nc(-c4ccccc4Cl)n3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLPYEMGHGDRRZ-MRVPVSSYSA-N", "SMILES:Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CN(Cc2nccs2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPXPXOAFQCNBS-UHFFFAOYSA-N", "SMILES:CC(Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F"]}
{"name": "High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A", "xref": ["CHEMBL.TARGET:CHEMBL5169102"], "id": "UniProtKB:O70628", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBBCZBKJYNXHGT-GFCCVEGCSA-N", "SMILES:COc1ccc(NC(=O)[C@@H](C)Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFHKAINNARPGCX-BHGWPJFGSA-N", "SMILES:Oc1ccc2ccccc2c1/C=N/Nc1ncnc2sc3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98123", "category": ["biolink:ChemicalEntity"], "name": "PAPAVERINE HYDROCHLORIDE", "xref": ["InChIKey:UOTMYNBWXDUBNX-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl"], "synonym": ["Papaverine hydrochloride", "Papaverine hydrochloride", "Artegodan", "Cardoverina", "Papaverine hcl", "Papaverine hydrochloride", "Papaverini hydrochloridum", "Vasorin", "NSC-35443", "Papaver hcl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVNAMIDGSTWFMV-AATRIKPKSA-N", "SMILES:Cc1ncc(C)n2nc(/C=C/c3nc(N4CCCC4)cc(N4CCOCC4)n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPQCSQZCQOLVGE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEHHKYKXPHTLE-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGARVLMWRSOJOY-VCHYOVAHSA-N", "SMILES:O=Cc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDEIFUOYHWEWSS-DJKKODMXSA-N", "SMILES:O=C(O)c1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYFREBYKGTFIF-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAIGVNOGWJFSOX-JLHYYAGUSA-N", "SMILES:C/C(=C\\c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPFQEXFZDPQKM-ZRDIBKRKSA-N", "SMILES:C/C(=C\\c1ccc2ccccc2c1F)C(=O)Nc1ccc(F)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJZZDJSPAKQASB-ZRDIBKRKSA-N", "SMILES:C/C(=C\\c1ccc2ccccc2c1Cl)C(=O)Nc1ccc(F)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDNZUVQHYASSI-ZRDIBKRKSA-N", "SMILES:C/C(=C\\c1ccc2ccccc2c1Br)C(=O)Nc1ccc(F)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLULNGXBPOKKGQ-VCHYOVAHSA-N", "SMILES:Cc1ccc(/C=C2\\COc3cc4ccccc4cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVAXFCRBPSLXDO-CLJLJLNGSA-N", "SMILES:Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3CN2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5171775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGIZQZXRULEPS-AREMUKBSSA-N", "SMILES:CCCCc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJYCWKFQUNLAE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMJPCNIHZOTEN-IYUQQWMQSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OCCOCCOCCOc2ccc(-c3ccc(-c4nc5ccc(F)cc5c(C(=O)O)c4C)cc3)c(F)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHLNCYIDZIDTD-UHFFFAOYSA-M", "SMILES:CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCDDYGYIGPEKL-JQOQJDEVSA-N", "SMILES:Cc1cn(-c2ccc3n(c2=O)CCN([C@@H](C)[C@@H]2CC[C@H](c4cc(F)c(Cl)cc4C(F)(F)F)O2)C3=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIYNYEGNVUSOIR-HNNXBMFYSA-N", "SMILES:COc1nc(-c2cc(C)c(N[C@@H](C)c3cc(F)cc(F)c3)nn2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWXWBOLYIDMHCI-AWEZNQCLSA-N", "SMILES:COc1nc(-c2cc(C)c(N[C@@H](C)c3cc(F)c(F)c(F)c3)nn2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJYAOMAAVBZQG-MRXNPFEDSA-N", "SMILES:COc1nc(C2=NOC[C@H](c3cc4ccccc4o3)N2)ccc1-n1cnc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIAPXRXOKLTTDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C(=O)Nc3ccc(O)cc3)c(N)[nH]c(=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVYWXSMFWAGFQ-UHFFFAOYSA-N", "SMILES:CCc1cc(NCc2nc3ccccc3o2)c(O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTDHSVQLRCNIKE-UHFFFAOYSA-N", "SMILES:CCc1cc(NCc2cc3ccccc3o2)c(O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLPUMCTPXMGKZ-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2cc3c(cc2[nH]c1=O)nc(NC(=O)c1ccc(-c2ccncc2)cc1)n3CCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETDHXJOUQHGEJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXHPQMLXSJDQF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c[nH]c3ncc(NC(=O)c4cccs4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVCBYBGVBOVFV-HZCBDIJESA-N", "SMILES:CN1CCN([C@H]2CC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMVDIGHUQAXWIE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRFRSKDYIFHZQL-UHFFFAOYSA-N", "SMILES:N#CSCc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHGFMUCHFXXMO-REZTVBANSA-N", "SMILES:Clc1ccc(/C=N/c2ccc3cn[nH]c3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USIJOWDRRISYGX-FNORWQNLSA-N", "SMILES:Cc1ncc(/C=C/c2ccc(CN3CCCCC3)c(O)c2)c(CO)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEMRSZTUJBXUKD-VQHVLOKHSA-N", "SMILES:Cc1ncc(/C=C/c2ccc(CN3CCCCC3)c(O)c2)c2c1OC(C)(C)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBYWCCDSKRGPR-DUXPYHPUSA-N", "SMILES:Cc1ncc(/C=C/c2ccc(CN3CCOCC3)c(O)c2)c(CO)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKCJRVELMKAKZ-MDZDMXLPSA-N", "SMILES:CCn1c2ccccc2c2cc(/C=C/c3ccc(NC(=S)NCCN4CCCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDIVCNMGVREFO-AQKVLALTSA-N", "SMILES:CCN(CC)C[C@@H](O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJLEIVEYFLNDY-AATRIKPKSA-N", "SMILES:COc1cc(/C=C/c2cc(=O)oc3c2ccc2oc(-c4cc(OC)cc(OC)c4)cc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZIRUSXNIUVQH-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/c2cc(=O)oc3c2ccc2oc(-c4ccccc4)cc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVFJYZVSHWUWHU-VOTSOKGWSA-N", "SMILES:COc1cc(/C=C/c2cc(=O)oc3c2ccc2oc(-c4cccc(F)c4)cc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOAIZGZMMBMDR-ONEGZZNKSA-N", "SMILES:COc1cc(/C=C/c2cc(=O)oc3c2ccc2oc(-c4ccc(F)cc4)cc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPHKMHMVYFIODG-VOTSOKGWSA-N", "SMILES:COc1cc(/C=C/c2cc(=O)oc3c2ccc2oc(-c4cccc(Cl)c4)cc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNGYBCRWZUKJD-ONEGZZNKSA-N", "SMILES:COc1cc(/C=C/c2cc(=O)oc3c2ccc2oc(-c4ccc(Cl)cc4)cc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMOIBRASIVKPQO-RMKNXTFCSA-N", "SMILES:COc1cc(/C=C/c2cc(=O)oc3c2ccc2oc(-c4ccc(C)cc4)cc23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMIRHMROLJATG-SNAWJCMRSA-N", "SMILES:COc1ccc(-c2cc3c(ccc4c(/C=C/c5cc(OC)cc(OC)c5)cc(=O)oc43)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3758997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDCGILVWMDWEN-REZTVBANSA-N", "SMILES:NS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYVUPNFIKTCOO-REZTVBANSA-N", "SMILES:NS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYWTEVOUXCCBY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NCc2cccc(Cl)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYAGYICQGCBGC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NCc2cccc(Br)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVEBLHAMIVVHJT-AWQFTUOYSA-N", "SMILES:COc1cc(/C=N/NC(=O)c2cn(Cc3ccc(O)c(OC)c3)nn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMUMULXIOUCIP-MDZDMXLPSA-N", "SMILES:COc1cc(/C=C/S(=O)(=O)c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPDWRHQAQQPZOW-UMIFVPQPSA-N", "SMILES:O=S(=O)(F)/C=C/C=C/c1ccc(/C=C/S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGZOKKVFSBSMI-ZHACJKMWSA-N", "SMILES:O=S(=O)(F)/C=C/c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRRCHLMIBZPKG-BQYQJAHWSA-N", "SMILES:O=S(=O)(F)/C=C/c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3606084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMNHOTMTKIKUFQ-UHFFFAOYSA-N", "SMILES:C=C(CCCCCCCCCCCCCCCC)S(=O)(=O)CCC[N+](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTWKEUPSPLHYDX-JRRWEWNMSA-N", "SMILES:COc1ccccc1/C=C/C=C(\\Br)S(=O)(=O)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVTRQFBBHIVBDZ-SRQAWUINSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@H](CO)[C@@H](OC(=O)CCC(=O)O)[C@@H]1OC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJLKKEIUZTVIAT-GSRZTJPPSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@H](CO)[C@@H](OC(=O)CCC(=O)O)[C@@H]1OC(=O)CCCCCC/C=C\\C/C=C\\CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUAYRSVJUHPLJI-YNMOARNQSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@H](CO)[C@@H](OC(=O)CCC(=O)O)[C@@H]1OC(=O)CCCCCC/C=C\\CCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQHFTBKQJSLHK-IGUCJQIZSA-N", "SMILES:CCCCC/C=C\\C/C=C\\CCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@H](CO)[C@@H](OC(=O)CCC(=O)O)[C@@H]1OC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILJAYYTXBFCTGR-RJVZBCKZSA-N", "SMILES:CCCCCCCCC/C=C\\CCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@H](CO)[C@@H](OC(=O)CCC(=O)O)[C@@H]1OC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQHCKRTHGRGJZ-YGIVDECYSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OC2CCCCC2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTAZIULAJQVKG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cnc(/N=C(\\N)Nc3ccc(F)cc3)nc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYWJEGNZBNUDY-UHFFFAOYSA-N", "SMILES:COc1ccc(N/C(N)=N/c2ncc(C(=O)c3ccccc3O)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSNGZIIPWPARP-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1ncc(C(=O)c2cc(Cl)ccc2O)cn1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOHZIIPBYAMJX-KHBMLBSESA-N", "SMILES:COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5172206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDVRHHOAPRWINL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(c1ccc(F)cc1Cl)S(=O)(=O)c1ccccc1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZNVYMJDMZUID-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(c1ccc(F)cc1Cl)S(=O)(=O)N1CCCCC1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKOCGZKQDVGLN-YXWAVELNSA-N", "SMILES:CCOC(=O)C1=CC2(CCC1S(=O)(=O)C1CCc3cc(F)cc(Cl)c31)O[C@@H](CO)[C@H](CO)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJVZLKFQUPMIS-ICDZXHCJSA-N", "SMILES:CC(C)Nc1ccc(N2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSNLZFUTQTTNA-XKMOZVKWSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)CC2c4c(F)cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4O[C@@H](c4cnc(C5CC5)s4)N32)[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOWKSDDWCJSRKZ-GORDUTHDSA-N", "SMILES:C/C=C/Oc1cc(C=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL572528", "category": ["biolink:ChemicalEntity"], "name": "CIBACRON BLUE", "xref": ["InChIKey:YKCWQPZFAFZLBI-UHFFFAOYSA-N", "SMILES:Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(=O)(=O)O)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5199902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDRAXNQYNHACIM-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)c1ccccc1Nc1nc(Cl)nc(Nc2ccccc2S(=O)(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZQISQSLZYITJV-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)c1cccc(Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)O)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBBKYDLIADLOS-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL489407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFDOJCBPILYMQ-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(F)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFWPKHQERWMGGF-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLINICWGMCKYDM-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]c3cc(Cl)ccc3c12)C1CCCN(C(=O)CC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNTPEBISELXNCP-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(-c2ccc3[nH]nc(C(=O)NCC4CCOCC4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKWQTJIWSLWELA-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(-c2ccc3cnc(C(=O)NCC4CCOCC4)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHIIYAOZGAXOQ-FMQZQXMHSA-N", "SMILES:Nc1nccc(CNC(=O)c2ccc3c(c2)/C(=C/Cc2cccc(C(=O)O)c2)C(=O)N3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL342402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUAXIWPMWPAZMA-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1cc(Cl)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOWLHQEABZKNA-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYECYVRAAJOEPA-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C2=C(c3cccc(NC(=O)CF)c3)C(=O)NC2=O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513752", "category": ["biolink:ChemicalEntity"], "name": "KADSURANIN", "xref": ["InChIKey:RTZKSTLPRTWFEV-QWHCGFSZSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@@H](C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL402435", "category": ["biolink:ChemicalEntity"], "name": "WUWEIZISU B", "xref": ["InChIKey:RTZKSTLPRTWFEV-OLZOCXBDSA-N", "SMILES:COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5170269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYBFQAZKJGJLL-NUGSKGIGSA-N", "SMILES:FC(F)(F)c1ccc(/C=N/Nc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHHNMNHSWWSNP-UHFFFAOYSA-N", "SMILES:CCn1sc(=O)n(CC)c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKYRTUMHSXJDAP-UHFFFAOYSA-N", "SMILES:CCn1sc(=O)n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXSFPVDRLQTCI-UHFFFAOYSA-N", "SMILES:CCn1c(=O)sn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITIQXYTIHHGHR-UHFFFAOYSA-N", "SMILES:Cn1sc(=O)n(-c2cccc3ccccc23)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATALNCQFFCOMZ-GSBKWXDOSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OC)c([C@@H]4O[C@H](C(=O)N[C@H](C)C(F)(F)F)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239559", "category": ["biolink:ChemicalEntity"], "name": "ISOORIENTIN", "xref": ["InChIKey:ODBRNZZJSYPIDI-VJXVFPJBSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISZBDXVOHPRMW-WVZXCZDFSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OC)c([C@@H]4O[C@H](C(=O)NCc5ccccc5)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBKQHCVOJSXQST-XPNLVJAHSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OC)c([C@@H]4O[C@H](C(=O)NC5CCCC5)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTPGDEWPMPMBPQ-NNQVWQPBSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OC)c([C@@H]4O[C@H](C(=O)NC5CCCCC5)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZPDMUMOBGPGO-IUJPGNIVSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OC)c([C@@H]4O[C@H](C(=O)NC(C)C)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATALNCQFFCOMZ-BZHDNRFDSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(OC)c([C@@H]4O[C@H](C(=O)N[C@@H](C)C(F)(F)F)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGURANUBCAQSPK-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(c3cc(NCCC(=O)O)c4c5c(onc35)-c3ccccc3C4=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNMBRYWMDGTKS-UHFFFAOYSA-N", "SMILES:O=C(O)CCNc1cc(N2CCN(c3ccc(F)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQPSIVGIIYPJPA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3cc(NCCP(=O)(O)O)c4c5c(onc35)-c3ccccc3C4=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTWXRYVPUOYGK-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2onc3c(N4CCN(c5ccc(O)cc5)CC4)cc(NCCP(=O)(O)O)c1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIDBTSDAWASQET-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3c(c(N)c2c1)C1CC=CC(C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLCAXIWRKMYGKL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOUVYFYJHLRSU-GQCTYLIASA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC(c3ncccn3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPOBZBQMRDBEA-UHFFFAOYSA-N", "SMILES:COc1cc2oc(C(=O)Nc3cccc(CN(C)Cc4ccccc4)c3)cc(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZDSNSHJIAEDG-MLGMXDONSA-N", "SMILES:O=c1cc(/N=N/N=P(CCP(=N/N=N/c2cc(=O)oc3ccccc23)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZUQHHIRFLQES-UHFFFAOYSA-N", "SMILES:O=C(N/N=C/Nc1c2c(nc3ccccc13)CCCC2)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKALXOHKHKGSNF-UHFFFAOYSA-N", "SMILES:C#CCOc1cccc(-c2cc(-c3ccc(OCCN4CCOCC4)cc3)nc(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1186627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHFFBQAOSCEDBC-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ncc(CCN(C)CCCc3ccccc3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPUSTKHUHNRCG-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLURUBKZBPUHR-CRWFKFHVSA-N", "SMILES:CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)C3C1)OCO5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPSMOGYAVYUWKI-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(NCCCNCC34CC5CC(CC(C5)C3)C4)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATQVALKDAUZBW-XPMKZLBQSA-N", "SMILES:O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL510512", "category": ["biolink:ChemicalEntity"], "name": "TELLIMAGRANDIN II", "xref": ["InChIKey:JCGHAEBIBSEQAD-WZASNERQSA-N", "SMILES:O=C(OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4455506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDFAANVTJYONPP-DHZHZOJOSA-N", "SMILES:CCN(CC)Cc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBAQYCCUYZMJY-MXYUXXKOSA-N", "SMILES:CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@H](C1)[C@@H]23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5183681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPCORUUMIMEHZ-VWPHRZHLSA-N", "SMILES:CC1=C[C@H]2c3cc4cc(-c5cc(O)cc(O)c5)oc4cc3O[C@@]3(c4ccc(O)cc4O)OC4C=C(O)C=CC4[C@H](C1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBHRKLIWOBSYIG-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)OCCCOC(=O)c2ccccn2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHIZWWLUDBQEIU-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc3n(c(=O)c2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2271411", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROACTINIDIOLIDE", "xref": ["InChIKey:IMKHDCBNRDRUEB-UHFFFAOYSA-N", "SMILES:CC1(C)CCCC2(C)OC(=O)C=C12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL582490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMQOFNXZTWAIHR-UHFFFAOYSA-M", "SMILES:[Br-].c1ccc(C[n+]2ccc(-c3nc4ccccc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGDPXHLVFCOIZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cc1cn(-c2ccccc2)nn1)(Cc1cn(-c2ccccc2)nn1)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOFGEUSKPLUCX-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(-c3cnc(N)s3)c(-c3cnc(N)s3)nc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFILMRUEANZHW-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3[nH]c(=O)ccc3c2)c1"]}
{"name": "Protein patched homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL5169150"], "id": "UniProtKB:Q13635", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485465", "category": ["biolink:ChemicalEntity"], "name": "PANICEIN A HYDROQUINONE", "xref": ["InChIKey:FFAKJAIQHPBXPV-MKMNVTDBSA-N", "SMILES:COc1cc(C)c(CC/C(C)=C/Cc2cc(O)ccc2O)c(C)c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5206776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHQPNPOZCUISSC-FQSNAZRASA-N", "SMILES:C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=S)CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACRECDQBBJPIN-MNPCWGQDSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCNC(=S)CCC(=O)O)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMXLEKMQSYAHKM-NELCAIQGSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=S)CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKPIRSISUYTWMY-PKWQURSZSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=S)CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPTGRRGWKDUYIA-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXQOQJFJMKGJJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(CCCCNC(=S)NCCC(=O)O)C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMPSCDQHMYODPT-UHFFFAOYSA-N", "SMILES:CC(=O)NC(CCCCNC(=S)NCCC(=O)O)C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVEAVGBUWLPXGW-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVPPLYLNGIEZIN-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCCC(NC(=O)OCc1ccccc1)C(=O)NC1CCSc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPLHZDTZCQEORG-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COADFPRWMMWDHQ-KEOOTSPTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=S)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKGNKQJDJRAOGD-FCCDFKFJSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=S)NCCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBFEGHTOGCSPE-VABKMULXSA-N", "SMILES:N=C(N)NCCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPJOFDZHACSMW-ACRUOGEOSA-N", "SMILES:N=C(N)NCCCC[C@@H]1NC(=O)CCCCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSUMIWMLQNGBO-FHWLQOOXSA-N", "SMILES:N=C(N)NCCCC[C@@H]1NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDCYMCXEILTZNY-BZSNNMDCSA-N", "SMILES:N=C(N)NCCCC[C@@H]1NC(=O)CCNC(=O)CCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NULNFGBKRITQER-UIOOFZCWSA-N", "SMILES:O=C(O)CCNC(=S)NCCCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVIOEZHAWIHZMK-NSOVKSMOSA-N", "SMILES:O=C(O)CCNC(=S)NCCCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOPWPOFWMYZJZ-PRIAQAIDSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5192844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFVZYLIKDQVRH-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2[nH]c(SSc3nc4c([nH]3)c(=O)n(CC)c(=O)n4CC)nc2n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTXIKMZQXJEGK-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(SSc3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)nc2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPDOXSSJZUJOC-UHFFFAOYSA-N", "SMILES:CCn1c(=O)n(CCc2ccc(OC)cc2)c(=O)c2[nH]c(SSc3nc4c([nH]3)c(=O)n(CCc3ccc(OC)cc3)c(=O)n4CC)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDHODRLZCEKNU-UHFFFAOYSA-N", "SMILES:CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(SSc3nc4c([nH]3)c(=O)n(CC(C)C)c(=O)n4CC)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYPZCRKECPUOD-UHFFFAOYSA-N", "SMILES:CCn1c(=O)n(CC2CCOCC2)c(=O)c2[nH]c(SSc3nc4c([nH]3)c(=O)n(CC3CCOCC3)c(=O)n4CC)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZQHOVMGMUVGDB-UHFFFAOYSA-N", "SMILES:CCn1c(=O)n(CCc2ccccc2)c(=O)c2[nH]c(SSc3nc4c([nH]3)c(=O)n(CCc3ccccc3)c(=O)n4CC)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYHWWIVTHAKUBY-YFSOFUOOSA-N", "SMILES:CC(=O)N[C@H]1CCCCNC(=O)CNC(=O)CCCCCCC(=O)NC(=O)NCCCC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLWIZWKHROFPY-UNOMPAQXSA-N", "SMILES:CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\\c1ccc(-c2ccc(C(=O)O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUDOJONHRJASAX-NTEUORMPSA-N", "SMILES:N#C/C(=C\\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDNJWGXJRSZRCB-SFQUDFHCSA-N", "SMILES:CNC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMVEXVOZGXYHZ-UHFFFAOYSA-N", "SMILES:O=C(NCCn1c2ccccc2c2ccccc21)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWBIKPKFYMEMIF-BGXHMTITSA-N", "SMILES:C=CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC=C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC"]}
{"name": "Actin-binding protein WASF3", "xref": ["CHEMBL.TARGET:CHEMBL5169205"], "id": "UniProtKB:Q9UPY6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWLSMDHYWRLTCN-SKPFUASMSA-N", "SMILES:C=CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCOTCJUXKLWCS-UHFFFAOYSA-N", "SMILES:CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1nc(N)n2nc(-c3ccco3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJWZPYAJTCEKDL-CQSZACIVSA-N", "SMILES:COC[C@H]1CCCN1c1cc(Nc2ccccn2)nc(-n2cccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411329", "category": ["biolink:ChemicalEntity"], "name": "(R,S)-MEFLOQUINE", "xref": ["InChIKey:XEEQGYMUWCZPDN-SWLSCSKDSA-N", "SMILES:O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL174628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMVEYXYKWDARP-CYBMUJFWSA-N", "SMILES:Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVCSYONXDMZKL-DEOSSOPVSA-N", "SMILES:CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL155596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQHSYAQISCFWOK-ZDUSSCGKSA-N", "SMILES:CCCN(CCC)[C@H]1CCc2c(ccc(O)c2O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL132575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGHBHDLSXHOSY-WUKNDPDISA-N", "SMILES:CCCN(CCC)C1CCC2=C(CCC/C2=N\\O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQTLRHZZRMRHMI-FQEVSTJZSA-N", "SMILES:CCCN(CCN1CCN(c2ccc(-c3ccccn3)nc2)CC1)[C@H]1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVVTSUQLCQHJC-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc(Oc2nccc3occc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODCDZCSGNUYOR-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMFOKUQUOYIOR-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYLEAVUTRZUPU-XSFVSMFZSA-N", "SMILES:C/C(=N\\NC(=O)c1cc(-c2ccccc2)on1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXHFPJDCIRHQDM-FYJGNVAPSA-N", "SMILES:COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3)on2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZBFDKZEZLRXSZ-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(-c3nc4ccc(F)cc4s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADYQEJMDLBPTFX-UHFFFAOYSA-N", "SMILES:CNCc1cc(=O)oc2c(O)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYUTNCKIOLMAJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBDWTBISUBYOMI-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWGFJJVIYRZMN-SFHVURJKSA-N", "SMILES:CCCN(CCN1CCN(c2ccnc3c(O)cccc23)CC1)[C@H]1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZWBFTXUIUAEI-DEOSSOPVSA-N", "SMILES:CCCN(CCN1CCN(c2ccc3c(c2)[nH]c2ccccc23)CC1)[C@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOIYBZJKYETNG-PBWTXFEYSA-N", "SMILES:COc1ccc(CCc2cc(=O)c3c(o2)[C@H]2O[C@H]2[C@@H](O)[C@H]3OC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBGMAUVTEQSLDG-PBWTXFEYSA-N", "SMILES:COc1ccc(CCc2cc(=O)c3c(o2)[C@H]2O[C@H]2[C@@H](O)[C@H]3OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYKBTIJEWTPHQ-HCACAHHJSA-N", "SMILES:O=c1cc(CCc2ccccc2)oc2c1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2Oc1cc2oc(CCc3ccccc3)cc(=O)c2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCJSOQUSIZEQB-AXMAENODSA-N", "SMILES:COc1ccc(CCc2cc(=O)c3c(o2)[C@@H](Oc2cc(O)cc4c(=O)cc(CCc5ccccc5)oc24)[C@H](O)[C@H](O)[C@H]3O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUXXEOAYHQLPX-ZCUZWMQKSA-N", "SMILES:COc1ccc(CCc2cc(=O)c3cc(O)c(O[C@@H]4c5oc(CCc6ccccc6)cc(=O)c5[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARCLLWUQDJXHSC-WSKLTFMVSA-N", "SMILES:O=C(CCc1ccccc1)O[C@@H]1c2oc(CCc3ccccc3)cc(=O)c2[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSFOGZGIBIQRPU-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(N)=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJVOEOJQLKSJU-QURBUZHQSA-N", "SMILES:CC(O)C(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL409153", "category": ["biolink:ChemicalEntity"], "name": "ISAVUCONAZOLE", "xref": ["InChIKey:DDFOUSQFMYRUQK-RCDICMHDSA-N", "SMILES:C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F"], "synonym": ["Isavuconazole", "Isavuconazole", "Isavuconazole", "Isavuconazol", "Isavuconazole", "Isavuconazole", "BAL-4815", "Cresemba"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457547", "category": ["biolink:ChemicalEntity"], "name": "MICAFUNGIN", "xref": ["InChIKey:PIEUQSKUWLMALL-YABMTYFHSA-N", "SMILES:CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1"], "synonym": ["Micafungin", "Micafungin", "Micafungin", "Micafungine", "Micafungina", "Micafungin", "Micafungin", "Micafungin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL561057", "category": ["biolink:ChemicalEntity"], "name": "SQ109", "xref": ["InChIKey:JFIBVDBTCDTBRH-REZTVBANSA-N", "SMILES:CC(C)=CCC/C(C)=C/CNCCNC1C2CC3CC(C2)CC1C3"], "synonym": ["Sq-109", "Sq109", "NSC-722041", "SQ109"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL163972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIXNWJHCSFYZBN-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5181771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HURIEUGXSXGTBM-QFQIFDGDSA-N", "SMILES:CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL172", "category": ["biolink:ChemicalEntity"], "name": "(S,R)-MEFLOQUINE", "xref": ["InChIKey:XEEQGYMUWCZPDN-DOMZBBRYSA-N", "SMILES:O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1377", "category": ["biolink:ChemicalEntity"], "name": "PROGUANIL", "xref": ["InChIKey:SSOLNOMRVKKSON-UHFFFAOYSA-N", "SMILES:CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1"], "synonym": ["Proguanil", "Proguanil", "Proguanil", "Chlorguanide", "Chloroguanide", "Proguanil"], "chembl_prodrug": true, "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1275655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVJMLYUFVDMUHP-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4757380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTNJQNQLEGKTGD-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5185360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBZVMNVUEXEASC-UHFFFAOYSA-N", "SMILES:Oc1cccc2c1C1=Cc3ccccc3C1=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNQSLBAGTCEQAK-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5Br)cccc4o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKOEKGPZZLHEU-GTFTZLNPSA-N", "SMILES:COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(-c2c3nc(c(-c4ccc(-c5c(C(=O)OC)c(C)nc(C)c5C(=O)OC)cc4)c4ccc([nH]4)c(-c4ccc(-c5c(C(=O)OC)c(C)nc(C)c5C(=O)OC)cc4)c4nc(c(-c5ccc(-c6c(C(=O)OC)c(C)nc(C)c6C(=O)OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZSASCBZXRCVQS-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQMAKWGYQLJJIA-CUOOPAIESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL128000", "category": ["biolink:ChemicalEntity"], "name": "BUTEIN", "xref": ["InChIKey:AYMYWHCQALZEGT-ORCRQEGFSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5208925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYIWLBHKRZKKJ-UHFFFAOYSA-N", "SMILES:O=C(N1CCCC1)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSFGZLHJMXZTG-UHFFFAOYSA-N", "SMILES:O=C(N1CCCC1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGAHPALPMLZWKR-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCC1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRLCHBHOHWMMRA-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQPBGFHDGKSUKL-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCCC1)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRQNZYLUVYAHBZ-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICDFAJKFDRNCMF-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWBZUDAMHHZRMD-UHFFFAOYSA-N", "SMILES:O=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGFIAQUDEDEXGA-UHFFFAOYSA-N", "SMILES:O=C(N1CCCC1c1ccccc1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVWWYOWSJCPFAM-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(c2cccc(Cl)c2)C1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSQSWUBIMQRVHG-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(c2ccncc2)C1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMGXNFIJMLHZMK-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(c2cccnc2)C1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFLSOOWDYTXTN-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(c2ccccn2)C1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSRXENEYIXSMN-UHFFFAOYSA-N", "SMILES:O=C(N1CCCC(c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAPXILDELBXIF-UHFFFAOYSA-N", "SMILES:O=C(N1CCC(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRCWEICXMGION-MRXNPFEDSA-N", "SMILES:O=C(N1CC[C@@H](c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRCWEICXMGION-INIZCTEOSA-N", "SMILES:O=C(N1CC[C@H](c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLYMYTOHAQEAEM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBZYZZRZXODGDD-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGHZLJNOPXYDNQ-UHFFFAOYSA-N", "SMILES:O=C(N1CC2Cc3ccccc3C2C1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJYOGHBDGQAUID-UHFFFAOYSA-N", "SMILES:O=C(N1CC2CCc3ccccc3C2C1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLGVAOSWKFVQJH-NRFANRHFSA-N", "SMILES:O=C1O[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOBKYFDOWFQBI-FQEVSTJZSA-N", "SMILES:O=C1O[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)c2ccncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVCHCRWONANAMN-FQEVSTJZSA-N", "SMILES:O=C1O[C@]2(CCN(C(=O)C3(c4ccccn4)CC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUGPAPTGFVPQL-FQEVSTJZSA-N", "SMILES:O=C1O[C@]2(CCN(C(=O)C3(c4cccnc4)CC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYIAYXMANDNDOT-FQEVSTJZSA-N", "SMILES:O=C1O[C@]2(CCN(C(=O)C3(c4ccncc4)CC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BASWBJUTEYKRON-SANMLTNESA-N", "SMILES:O=C1O[C@]2(CCN(C(=O)C3(c4ccc(-c5ccccc5)nc4)CC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHCZEZJOIARBI-NDEPHWFRSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(C3(C(=O)N4CC[C@@]5(C4)OC(=O)c4ccccc45)CC3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAIGJUZIFQYNEX-LJAQVGFWSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2ccc(C3(C(=O)N4CC[C@@]5(C4)OC(=O)c4ccccc45)CC3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUVFSZTVJYXEY-NDEPHWFRSA-N", "SMILES:CNC(=O)c1cccc(-c2ccc(C3(C(=O)N4CC[C@@]5(C4)OC(=O)c4ccccc45)CC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZAFRVJHPOFGU-SANMLTNESA-N", "SMILES:O=C1O[C@]2(CCN(C(=O)C3(c4ccc(-c5ccncc5)cc4)CC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCOBCCRDVVLRR-SANMLTNESA-N", "SMILES:O=C1O[C@]2(CCN(C(=O)C3(c4ccc(-c5ccccn5)cc4)CC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEMMTMEZCAYRR-SANMLTNESA-N", "SMILES:O=C1O[C@]2(CCN(C(=O)C3(c4ccc(-c5cccnc5)cc4)CC3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABUOMJBILYMLL-NDEPHWFRSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(C3(C(=O)N4CC[C@@]5(C4)OC(=O)c4ccccc45)CC3)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFJDKIXEIPHMV-LJAQVGFWSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2ccc(C3(C(=O)N4CC[C@@]5(C4)OC(=O)c4ccccc45)CC3)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQCDIWFPIDPQU-NDEPHWFRSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc(C3(C(=O)N4CC[C@@]5(C4)OC(=O)c4ccccc45)CC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDWOLIFPVUSXBW-LJAQVGFWSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2ccc(C3(C(=O)N4CC[C@@]5(C4)OC(=O)c4ccccc45)CC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTQRHWULYJKCI-UHFFFAOYSA-N", "SMILES:C1CCc2nnc(C34CC5CC(CC(C5)C3)C4)n2CC1"], "synonym": ["MERCK-544"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNOQQLUFSIPLF-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CC(=O)N2CCN(C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOESNAGBEJURCI-WMZOPIPTSA-N", "SMILES:Oc1cccc([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4302506", "category": ["biolink:ChemicalEntity"], "name": "ORM-13070", "xref": ["InChIKey:VGIYMYGMVXPMKV-KRWDZBQOSA-N", "SMILES:COCc1cccnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGZUXYWIPVHDBC-GJZGRUSLSA-N", "SMILES:O=C1CCCN1[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEDSUIDZYIEKS-KBPBESRZSA-N", "SMILES:O=C1CCC(=O)N1[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUKVWXAKAVGEQB-KBPBESRZSA-N", "SMILES:O=C1OCCN1[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPDJNAUOBHVKA-STQMWFEESA-N", "SMILES:O=C1COC(=O)N1[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQFYCZYMJZIIK-KBPBESRZSA-N", "SMILES:O=C1NCCN1[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJUDDUPAGIBKHN-STQMWFEESA-N", "SMILES:O=C1CNC(=O)N1[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEZPQGQCIGDIAA-HOTGVXAUSA-N", "SMILES:O=c1[nH]c2ccccc2n1[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSRZHADMPSMXTQ-IRXDYDNUSA-N", "SMILES:c1ccc2c(c1)OC[C@H](CN1CCC[C@H](n3cnc4ccccc43)C1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPUSZMOUVMRWSP-FGRDXJNISA-N", "SMILES:CC1CN([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COQSLVGZWNDCBU-FGRDXJNISA-N", "SMILES:CC1CNC(=O)N1[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDWMLCZMMGHSMH-NFBCFJMWSA-N", "SMILES:O=C1NC(c2ccccc2)CN1[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVTPLLBGYJJPKY-GJZGRUSLSA-N", "SMILES:CC1(C)CN([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNJWQWFUYFOLA-IRXDYDNUSA-N", "SMILES:CN(C)C(=O)CN1CCN([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVVKVUNXGAGIY-YVZMLIKISA-N", "SMILES:CC1CN([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNGROOSSXSQBZ-KBPBESRZSA-N", "SMILES:CC1(C)OC(=O)N([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQQVICPVGHLWDF-GAOSQQNJSA-N", "SMILES:O=C1OC(c2ccccc2)C(=O)N1[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPUJETVEGUJEN-KBPBESRZSA-N", "SMILES:CC1(C)NC(=O)N([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXDYOQJSMMNRY-KBPBESRZSA-N", "SMILES:CCN1C(=O)C(=O)N([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNPQFZYWMHKTRN-IRXDYDNUSA-N", "SMILES:O=C1C(=O)N([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C(=O)N1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLHBLWLFUFFDZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVQHYHDYFTPDV-UHFFFAOYSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)C=Cc1cnn(CC=Cc2ccccc2)c1"]}
{"name": "ADP-ribose glycohydrolase MACROD2", "xref": ["CHEMBL.TARGET:CHEMBL4295630"], "id": "UniProtKB:A1Z1Q3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL315736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NITHMFXIRVGRJD-GDNBJRDFSA-N", "SMILES:O=C1N=C(O)S/C1=C\\c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQFKWSDXNSVRG-YBEGLDIGSA-N", "SMILES:Cc1ccc(COc2ccc(/C=C3\\SC(O)=NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTOZTHYDCUXSC-DHDCSXOGSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVQCYARIPRMQX-XKZIYDEJSA-N", "SMILES:N#Cc1ccccc1-c1ccc(COc2ccc(/C=C3\\SC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDRWCDDIVRJHHC-RVDMUPIBSA-N", "SMILES:CC(C)(C)/C=C(\\C#N)C(=O)Nc1cccc(-c2nn(C(C)(C)C)c3nc[nH]c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XABDAUOPIIYQAE-CXUHLZMHSA-N", "SMILES:CCCC/C=C(\\C#N)C(=O)Nc1cccc(-c2nn(C(C)(C)C)c3nc[nH]c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNADUYKIZNBZPG-WOJGMQOQSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccc(C(=O)O)cc3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLKQLNCKFMMQM-LDADJPATSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccccc3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGVBKCLUKZSLL-LICLKQGHSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3cccc([N+](=O)[O-])c3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZJPYRHGBKHLH-FRKPEAEDSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTGTKXKXLKTIN-GZTJUZNOSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCGNDPHLULGEKJ-GZTJUZNOSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccccc3Br)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFOGXCUURVRFW-GZTJUZNOSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACHAMGMXPUFMW-GZTJUZNOSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccccc3O)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUBNKJOUBYYSQ-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(Nc3n[nH]c4nc[nH]c(=O)c34)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHTGVBHFXMNIHN-GZTJUZNOSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHDJLIPWFMISSC-GZTJUZNOSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccccc3[N+](=O)[O-])c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMCGLMBLTWHQI-LICLKQGHSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLAVWPOKHZKUCQ-LICLKQGHSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3cccc(Cl)c3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTSGZDNKJSPGW-GZTJUZNOSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZDUFBAHRRGFMI-LICLKQGHSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/c3cccc(C(F)(F)F)c3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIHBNKZXQWXIL-LDADJPATSA-N", "SMILES:COc1ccc(/C=C(\\C#N)C(=O)Nc2cccc(-c3nn(C(C)(C)C)c4nc[nH]c(=O)c34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAMXBYWFCGHTBS-OYZPYISSSA-N", "SMILES:CC(C)(C)n1nc(-c2cccc(NC(=O)/C(C#N)=C/C=C/c3ccccc3)c2)c2c(=O)[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYBNYUBXXJJDY-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFEGHARUVSNNLM-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)c2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNUNYGVRTPYDPR-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXLBKELAFYEFJQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccccn2)ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQFADDSRKNKCN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2nccs2)ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVCFVYNHXZUIHF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cnn(C)c2)ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRILTBPXABLZND-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cnccn2)ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALVBUBUDQWYSAB-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(F)cn2)ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPASQXJAEKUDFC-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(C(F)(F)F)nc2)ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJDMFZHKQTSNL-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYSULKGKEMJNMW-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1NC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQMZFXJEDJGQX-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CC(C)C)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZXINACFCROKRD-UHFFFAOYSA-N", "SMILES:COCCN(C(=O)Nc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFZVYARBPCOHDE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCO)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBZZEQHOUFOPJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCN(C)C)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQCUASGSQNFTOJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN(C(=O)Nc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMZMBLSQXBAJOX-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCN1CCSCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYFUPOHRLLKDU-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCN1CCS(=O)(=O)CC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGRAWJGOJTZXAM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCN1CC[S+]([O-])CC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGWBYYNDRYQWFI-HXUWFJFHSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCN1CCOC[C@H]1C)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGWBYYNDRYQWFI-FQEVSTJZSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCN1CCOC[C@@H]1C)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFLOUDICUDWEN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCN1CCOCC1=O)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZQVUDQHINSSN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CC(=O)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJFYMFHKBZQSI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCN1CCCCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONRZKLUQQSCER-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCN1CCCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBQWBSJKQCRRFQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(CCN1CCCC1=O)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTKGACWPTXUXTM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(F)cn2)ccc1N(CCN1CCCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCOAJDGTXHUYAN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(F)cn2)ccc1N(CCN1CCCC1=O)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZCQTPWKWZVSS-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1N(CCN1CCCC1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIMILRVGHNLWBF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1N(CCN1CCCC1=O)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJCDRDAPROFJK-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)nc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AILQJRPKMBKQQX-UHFFFAOYSA-N", "SMILES:Cn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAGMWRFFNRBFB-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYWOEIGEJNXNQ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccccc3C)cc(C(=O)Nc3ccc4c(c3)c(S(N)(=O)=O)cn4C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEUJAPFDFXKDNQ-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccccc4C)nc4ccc(OC)cc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJEFISVRCYRSMS-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4cc(Cl)cc(Cl)c4)nc4ccc(OC)cc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBXQWBLOQCOXEZ-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccc(OC)cc4OC)nc4ccc(OC)cc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLBDSPGXKSXSQ-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHPOSNFPLLINNF-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)nc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHAABAXXWWTNCM-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(Cl)nc(Br)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTFKSJGHUQOYOQ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc4c(c3)c(S(N)(=O)=O)cn4C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJRIYSKKHPVPQ-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccccc4)nc4ccc(OC)cc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZGIOFAHFVDOH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)c(S(N)(=O)=O)cn4C)c3ccccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIOLBSANTGEQEV-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccc(OC)c(OC)c4)nc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRFQTSPMDQIAJ-UHFFFAOYSA-N", "SMILES:Cn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXOCRQAITAKLJO-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccccc3OC)cc(C(=O)Nc3ccc4c(c3)c(S(N)(=O)=O)cn4C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZJMHEQYISDBQG-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(-c4ccccc4OC)nc4ccc(OC)cc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGVHTLPPMCXPGA-UHFFFAOYSA-N", "SMILES:Cn1cc(S(N)(=O)=O)c2cc(NC(=O)c3ccnc(Br)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWSHQUMWYZRXAY-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3ccncc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPQPYKVLRGMPMK-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3ccnc(Br)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVOBYGZZJBTECM-UHFFFAOYSA-N", "SMILES:Cn1cc(S(N)(=O)=O)c2cc(NC(=O)c3ccnc(Cl)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBXYXPXFOBLLH-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3ccnc(Cl)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTSYVWTYWOYBM-UHFFFAOYSA-N", "SMILES:Cn1cc(S(N)(=O)=O)c2cc(NC(=O)c3ccnc(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMISEVHEGZOIBD-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3ccnc(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZSFWFTBWCREC-UHFFFAOYSA-N", "SMILES:Cn1cc(S(N)(=O)=O)c2cc(NC(=O)c3cc(Cl)nc(Br)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRFBJXYMDMPKH-UHFFFAOYSA-N", "SMILES:CCn1cc(S(N)(=O)=O)c2cc(NC(=O)c3ccnc(N)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTOQMWLUEPHDQE-UHFFFAOYSA-N", "SMILES:Cn1cc(S(N)(=O)=O)c2cc(NC(=O)c3ccnc(N)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVSNHLPXCFSIJ-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2cc(CC=C)c3oc(SCc4nnc(-c5ccccc5Br)o4)nc3c2)c2oc(SCc3nnc(-c4ccccc4Br)o3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRZJNFQPBOVHPK-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2cc(CC=C)c3oc(SCc4nnc(-c5ccccc5C)o4)nc3c2)c2oc(SCc3nnc(-c4ccccc4C)o3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNUEZVZJZFOSF-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2cc(CC=C)c3oc(SCc4nnc(-c5cccc(C)c5)o4)nc3c2)c2oc(SCc3nnc(-c4cccc(C)c4)o3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNSBIABVATPTG-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2cc(CC=C)c3oc(SCc4nnc(-c5cccc(OC)c5)o4)nc3c2)c2oc(SCc3nnc(-c4cccc(OC)c4)o3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRJQMPOYIDRSNF-UHFFFAOYSA-N", "SMILES:C=CCc1cc(CSc2nnc(-c3cccc(OC)c3)o2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTNOGKVAQHYKH-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2cc(CC=C)c3oc(SCc4nnc(-c5ccc(Cl)cc5)o4)nc3c2)c2oc(SCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHMATGOZPTKHP-UHFFFAOYSA-N", "SMILES:C=CCc1cc(CSc2nnc(-c3ccccc3)o2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGTIFKSTMKCPOA-UHFFFAOYSA-N", "SMILES:C=CCc1cc(CSc2nnc(-c3cccc(F)c3)o2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYFKFSMQAMGUIY-UHFFFAOYSA-N", "SMILES:C=CCc1cc(CSc2nnc(-c3ccccc3Cl)o2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOFABSHFQRPHOI-UHFFFAOYSA-N", "SMILES:C=CCc1cc(CSc2nnc(-c3ccccc3C)o2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRNLLOPLXRJDO-UHFFFAOYSA-N", "SMILES:C=CCc1cc(CSc2nnc(-c3cccc(C)c3)o2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTQRMELYLZATFY-UHFFFAOYSA-N", "SMILES:C=CCc1cc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWDKBAKCDLVGL-UHFFFAOYSA-N", "SMILES:C=CCc1cc(CSc2nnc(-c3cccnc3)o2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJEMBZBFLCJJAW-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc2nc3ccccc3n12)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSKRTMLMIXJJM-BZLUTGLESA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@H](/C(F)=N/[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C"]}
{"name": "Dipeptidyl peptidase 3", "xref": ["CHEMBL.TARGET:CHEMBL4520"], "id": "UniProtKB:Q9NY33", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUELQRPPOPFHFU-QOEPZTAMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](N)C(C)(C)C)/C(F)=C/[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDQAVTLDFMIDRL-JSADRACTSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@H](/C(F)=C/[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMWHUSFYMFQBJ-FUSPQCTPSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H](N)C(C)(C)C)/C(F)=C/[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISHOMJGAOPXCEF-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c2c(cc(O)c3c4c(O)cccc4c(=O)c32)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5193133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKATXVLQJQTSA-UHFFFAOYSA-N", "SMILES:CC1C(=O)c2cc(O)c3c(c2C(O)C1O)C(=O)c1cccc(O)c1-3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5193958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTKOIQBMLNOGIV-IIZANFQQSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVYXNLKUDAJRP-HLYNNXGTSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)[C@H](O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEBUFLSHFFZKSW-WQRHYEAKSA-N", "SMILES:COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\\c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGQOTSXEIFBQMX-NDENLUEZSA-N", "SMILES:COC(=O)C1=C(C)N(c2cccc(OC(C)C)c2)C(=O)/C1=C\\c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEBUFLSHFFZKSW-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNACGQUHGSGII-PDGQHHTCSA-N", "SMILES:COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\\c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCRVDBLDIKBCS-VBKFSLOCSA-N", "SMILES:COC(=O)C1=C(C)N(c2ccccc2OC)C(=O)/C1=C\\c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDIJJHPJRWQYGV-ATVHPVEESA-N", "SMILES:COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\\c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWWDDLBTPFODY-WQRHYEAKSA-N", "SMILES:COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\\c1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKJCISQFASCOT-WQRHYEAKSA-N", "SMILES:COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\\c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBOBCBQXAOGOG-UNOMPAQXSA-N", "SMILES:CCOC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\\c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEBUFLSHFFZKSW-WOJGMQOQSA-N", "SMILES:COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHWAHPTWLWKHZ-WQRHYEAKSA-N", "SMILES:COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\\c1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQMFPPFQXEEBF-YVLHZVERSA-N", "SMILES:COC(=O)C1=C(C)N(c2cccc(O)c2)C(=O)/C1=C\\c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALTRNRFZLBLKEX-WQRHYEAKSA-N", "SMILES:CNC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\\c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFYZZSASBSVBIR-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(NCc2ccc(OC(F)(F)F)cc2)Nc2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUOMWFVTJHAQSE-UHFFFAOYSA-N", "SMILES:CC(NC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UATXWXYUICAZSH-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(NCc2ccc(OC(F)(F)F)cc2)Nc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SASSXVSEMFJJPY-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC2=NS(=O)(=O)c3cc(Cl)ccc3N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXYVEPKKQKLXEY-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(NC2CCCC2)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCBMOYJISQNSHB-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC2=NS(=O)(=O)c3cc(Cl)ccc3N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFAPVCWLWJEDAQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC2=NS(=O)(=O)c3ccc(Cl)cc3N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1345058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OECUWHDVQIITIS-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2c(NCc3ccco3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBRUEXLILLNUFR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(NCc1ccco1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTHSNKTNFUNPZ-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1ccco1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHOQZNOPUNQORK-UHFFFAOYSA-N", "SMILES:CCCc1ccc2c(c1)nc(NCc1ccco1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXIRUVCCODBOX-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2c(c1)nc(NCc1ccco1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKSITSBWGQUFKC-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2c(NCc3ccco3)nc3cc(C4CC4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSBLTGXDCTMIL-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1ccco1)n2Cc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PALNGWWASYGRMM-UHFFFAOYSA-N", "SMILES:CCc1ccc(Cn2c(NCc3ccco3)nc3cc(CC)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLNCXUTHZKNPJ-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1ccco1)n2Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTWZBUAYQIMRJJ-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1ccco1)n2Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIMLTJKTWJKZGR-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1ccco1)n2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOISTZYDQRXJSP-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1ccco1)n2Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLYAWLIDVONCMZ-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1ccco1)n2Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLRBXKROQRZCC-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCC1CCCO1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIKCEVUAHKQHI-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCC1CCOC1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBAWGDTSJJWTJ-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1cccs1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYDNADDNIWBSU-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1ccccn1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGBREMPNWNDRHM-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCCc1ccco1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNAJCXJDFXWREI-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCCN1CCOCC1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSHOMZLKSKKLBW-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCCc1ccncc1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJLOQLRRSDLQG-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCCN1CCCCC1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDDQKHAZLFHMO-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1ccc(C)o1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXLNEJXMVOLNP-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)nc(NCc1ccc(Cl)o1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTSECOLKFLUSD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)c(O)c(O)c1-c1c(C(=O)O)cc(O)c(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5197578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPCRUAYPJDJGN-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1C(=O)NCCNc1ccc(S(=O)(=O)N(C)C)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWBVJUBRQRAFV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1C(=O)NCCCNc1ccc(S(=O)(=O)N(C)C)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGMYWPDVHKULE-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1C(=O)NCCCCNc1ccc(S(=O)(=O)N(C)C)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL163316", "category": ["biolink:ChemicalEntity"], "name": "3-O-METHYLQUERCETIN", "xref": ["InChIKey:WEPBGSIAWZTEJR-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFBWZAGFLVKAGR-WBVHZDCISA-N", "SMILES:CNC(=O)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)C(C)C"]}
{"name": "Actin, cytoplasmic 1", "xref": ["CHEMBL.TARGET:CHEMBL5169138"], "id": "UniProtKB:P60710", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Heat shock cognate 71 kDa protein", "xref": ["CHEMBL.TARGET:CHEMBL5169139"], "id": "UniProtKB:P63017", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Mitogen-activated protein kinase kinase kinase 11", "xref": ["CHEMBL.TARGET:CHEMBL2434817"], "id": "UniProtKB:Q80XI6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2010507", "category": ["biolink:ChemicalEntity"], "name": "METHOXYPHENAMINE", "xref": ["InChIKey:OEHAYUOVELTAPG-UHFFFAOYSA-N", "SMILES:CNC(C)Cc1ccccc1OC"], "synonym": ["Methoxyphenamine", "Methoxyphenamine", "Metoxifenamina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93268", "category": ["biolink:ChemicalEntity"], "name": "SODIUM NITRITE", "xref": ["InChIKey:LPXPTNMVRIOKMN-UHFFFAOYSA-M", "SMILES:O=N[O-].[Na+]"], "synonym": ["Sodium nitrite", "E250", "Sodium nitrite", "Sodium nitrite", "Natrii nitris", "Natrum nitrosum", "Nitrous acid soda", "Nitrous acid, sodium salt", "Sodium nitrite", "INS NO.250", "INS-250", "NSC-77391", "Sodium nitrite", "Sodium nitrite component of nithiodote"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1760", "category": ["biolink:ChemicalEntity"], "name": "TERBUTALINE", "xref": ["InChIKey:XWTYSIMOBUGWOL-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)c1cc(O)cc(O)c1"], "synonym": ["Terbutaline", "Terbutaline", "Terbutaline", "Terbutalina", "Terbutaline", "Asthmasian", "Terbutalin", "Terbutaline"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5172549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWIPOSPPIUUEC-XALYGZPNSA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)NCCc6ccc(O)cc6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLLBWNKVJUZVQT-RSAXXLAASA-N", "SMILES:Cl.N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMVIONPUKHVJBQ-UHFFFAOYSA-N", "SMILES:Cc1cc(OC(=O)c2ccc(NC(=N)N)cc2)no1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSPAQJJGAABPRL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWYBOVRJKFYLKP-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)NCC(=O)O)cc2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSVAZZUVKTDED-RSAXXLAASA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](CC(N)=O)C(=O)O)cc2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIHTKADQXTASI-NTISSMGPSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYKRJZJAWSVLC-INIZCTEOSA-N", "SMILES:Cc1cc(NC(=N)N)ccc1C(=O)Oc1ccc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJQYQBMVLBYEG-HNNXBMFYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHWITOQXWOOYIJ-HNNXBMFYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBADOYMMQHZSAY-LYKKTTPLSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc3c(c2)OC(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZUTMLAAWVCCV-LRDDRELGSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc3c(c2)OC[C@@H]3CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYBFNKYMNSUKQ-UQKRIMTDSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2cccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFPPQWVXGPJAA-RSAXXLAASA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2cccc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)c2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBHXIGARNMCAY-UQKRIMTDSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQMAUMDMPEQBA-HXUWFJFHSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2cccc(C3=NO[C@](CC(=O)O)(C(=O)O)C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQMAUMDMPEQBA-FQEVSTJZSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2cccc(C3=NO[C@@](CC(=O)O)(C(=O)O)C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUIZWORATNERHR-INIZCTEOSA-N", "SMILES:Cc1cc(C(=O)Oc2ccc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)ccc1NC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSJSESJVCUOSQX-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)[nH]c2cc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVUPNUYPCRNJSF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(C(=O)OC)c(C)[nH]c3c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOYZDKYHYCQEW-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2cc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)ccc2c1C(=O)N1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDVNXUSLFWQHQJ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2cc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)ccc2c1C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBOIYRRBODYKCS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(C(=O)N4CCC(C)CC4)c(C)[nH]c3c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRESBMASWDVINZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(C(=O)N4CCC(O)CC4)c(C)[nH]c3c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQJLJKFROUEMTA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(C(=O)N(C)C)c(C)[nH]c3c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMLGIJIWYREQR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cccc(NC(=O)c2ccc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDVFVWOXQKFGJC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cccc(NC(=O)Cc2ccsc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXLPVCVJJQWQFC-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Nc2cccc(CNS(C)(=O)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRWDDRGVGTVQW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cccc(NC(=O)c2csc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFTIBWFVEQKHMS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIDVBGZPINRJV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cc2ccsc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIFYCWVVBPOISN-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)c1ccc2[nH]ccc2c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICINBHXDRZBKQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cc2ccsc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNJVFPPKOVYNHY-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOOLKNUNYOYNJP-UHFFFAOYSA-N", "SMILES:O=C(O)CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2csc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNFXIWHOZYYRM-UHFFFAOYSA-N", "SMILES:O=C(O)CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYYHFIWSRZPRQ-UHFFFAOYSA-N", "SMILES:CNc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCXHKVNLDXAINZ-UHFFFAOYSA-N", "SMILES:O=C(O)CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cnc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKVVDVRWBVBGM-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)c(-c1ccc(C(=O)O)cc1)nn2C(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTZAGCRUDYUGB-UHFFFAOYSA-N", "SMILES:COc1ccc2nccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DULGLCBMRZPQLZ-IVHCLJLKSA-O", "SMILES:NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@@H]2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DULGLCBMRZPQLZ-OJPPRWTASA-O", "SMILES:NC(=O)c1ccc[n+]([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DULGLCBMRZPQLZ-OZCXFSBSSA-O", "SMILES:NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMUWBUCVSKHLE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1nc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNRUPVONTWZCGL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNAMYOYQYRYFQY-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAGTVKUPJXOMV-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCNILGOVBBRMBK-SDBHATRESA-N", "SMILES:Nc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL408564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYKLTFFLMMUEN-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHRMFAGIBQWDR-LSHDLFTRSA-N", "SMILES:COc1cc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485745", "category": ["biolink:ChemicalEntity"], "name": "GW434756X", "xref": ["InChIKey:BUAIGJRXIAKFCN-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nn3ccccc3c2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOZDQVLZCXNJPY-UHFFFAOYSA-N", "SMILES:Nc1nsc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1417210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPOVUXVIZRYAC-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)nc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFIHLVMXKWFPC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc2nonc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSADRJQHSLAUGY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ccccc2n1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCAJYTWQQSMPO-UHFFFAOYSA-N", "SMILES:Nc1ccc2nnc(-c3ccccc3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXONVEYCDHPQSB-UHFFFAOYSA-N", "SMILES:NC(=O)c1ncoc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBYZNBKQWHDNC-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2cc(C(=O)NCc3ccco3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1573515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRWBHKXIXMTWJN-UHFFFAOYSA-N", "SMILES:O=c1cc(NCc2ccccc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL47633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAHSBDYBOBAAQ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)ns1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CITCTUNIFJOTHI-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nccnc2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5204663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFGZKCYBINPOTA-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXISDVIVHXPSKW-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cc(-c2ccccc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337319", "category": ["biolink:ChemicalEntity"], "name": "BENZOGUANAMINE", "xref": ["InChIKey:GZVHEAJQGPRDLQ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSZVIZTUWVCFL-UHFFFAOYSA-N", "SMILES:Nc1nsc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWUQSWQCVCFCJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDVINSIUHWSPX-UHFFFAOYSA-N", "SMILES:Nc1nncc(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL143703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMIXRXCYIIUDY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2235239", "category": ["biolink:ChemicalEntity"], "name": "Moslosooflavone", "xref": ["InChIKey:IHLSBQVBFDTNTC-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL402227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPDJGLOROGNHJD-NSHDSACASA-N", "SMILES:O=C1C[C@@H](c2ccccc2)Oc2cc(O)c(O)c(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1625188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNPRQBVQOJZMMA-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDKXUNMTVUXBRG-WJDWOHSUSA-N", "SMILES:Cc1onc(-c2ccccc2)c1/C=C1\\C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBEVZPUMIZVBQU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)NCCNc2nccc(C(F)(F)F)n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQJNYLFGPXANH-BKXCAEITSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJWQPTVFADMRO-KMRXNPHXSA-N", "SMILES:C[C@H](OP(=O)(O)O)[C@H](NC(=O)c1ccc2c(c1)nc(CCCCc1ccccc1)n2CCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYIWPWKDWXVTLE-ZJJKFVCFSA-N", "SMILES:CC(=O)N1C[C@H](O/N=C/CCc2ccccc2)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZRRDOYGGTDJO-KZELWVORSA-N", "SMILES:CC(=O)N1C[C@H](OCCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZLGHTUEKVZIMB-UFSHPFNLSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCc1cn(Cc2ccc(Oc3ccccc3)cc2F)nn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLKEAGJBNAJKB-DZPCQTFRSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn(CCCCCCCCc2ccccc2)nn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJBWPRLFOMJCY-GUJGKPLJSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](CCCCCCCCc2ccccc2)C(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H]([C@@H](C)OP(=O)(O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOJHDQJJPIVEC-MNDPQUGUSA-N", "SMILES:CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRTMJXOVPWKHSS-BKMJKUGQSA-N", "SMILES:N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2c(-c4ccc5ccccc5c4)ccc(=O)n2C3)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4467651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDBXGNIGYVOBI-VKAVYKQESA-N", "SMILES:CC1=C/C(=N/OC(=O)c2ccccc2C)C(C)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORIFCQKRWMWFOX-HCTBILRNSA-N", "SMILES:CC1=C/C(=N/OC(=O)c2ccc(CNC(=O)CCc3cn(CCCCCCOCCOCCNC(=O)CC45CC6CC(CC(C6)C4)C5)nn3)cc2C)C(C)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXHVNSZFNOCDQ-IUSJNPHJSA-N", "SMILES:CC1=C/C(=N/OC(=O)c2ccc(CNC(=O)CCc3cn(CCCCCCOCCOCCNC(=O)[C@H](C)CCC45CC6CC(CC(C6)C4)C5)nn3)cc2C)C(C)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVSWRRPJGDCTOZ-DKLXNKCPSA-N", "SMILES:CCCCCCCCCC1=CO[C@]2(C[C@H](C(=O)O)[C@@](CC(=O)O)(C(=O)OCCCC)O2)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5175115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLCHKHILFZNKF-UAOJZALGSA-N", "SMILES:CCCCCCCCCC1=CO[C@]2(C[C@H](C(=O)O)[C@@](CC(=O)O)(C(=O)O)O2)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5177415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNNIRQUVOWRGO-UHFFFAOYSA-M", "SMILES:COc1c2c(cc3c1C(CC(=O)c1ccccn1)[N+](C)(C)CC3)OCO2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJTVOBMGAUNFW-NQJUDSLISA-N", "SMILES:O=C(NC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJTVOBMGAUNFW-IIGFPRLYSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJTVOBMGAUNFW-AQVMEVBTSA-N", "SMILES:O=C(N[C@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGFTUHBZDQTYRM-NSOVKSMOSA-N", "SMILES:COC(=O)c1ccc(COc2cccc([C@@H](NC(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGFTUHBZDQTYRM-WUFINQPMSA-N", "SMILES:COC(=O)c1ccc(COc2cccc([C@H](NC(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGFTUHBZDQTYRM-MBMZGMDYSA-N", "SMILES:COC(=O)c1ccc(COc2cccc(C(NC(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORYRYRJJIMZEH-SVBPBHIXSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)O)cc2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXBDADZTVDBXRW-SVBPBHIXSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2cccc(C(=O)O)c2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOCNCZXBZXZKGJ-DQEYMECFSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)O)o2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTNIAUNMQCBDL-UPVQGACJSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2nc(C(=O)O)co2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRCKEOKVUMIUNN-ZCYQVOJMSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2csc(C(=O)O)c2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQLQSABCPFKDLM-UPVQGACJSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2nc(C(=O)O)cs2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEAWITYNOXRHRJ-DQEYMECFSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2cc(C(=O)O)co2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXACROVNCYAZSZ-DQEYMECFSA-N", "SMILES:Cn1nc(COc2cccc([C@@H](NC(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTLYDZNIMLBFLB-DQEYMECFSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2cnc(C(=O)O)cn2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHQXMNYLIOWRJ-UIOOFZCWSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)O)nc2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRIWXZWQNGVSHL-SVBPBHIXSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)O)c(F)c2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLMNOQSTPQDEF-SVBPBHIXSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)O)cc2F)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXWJQENINOLQRP-NSOVKSMOSA-N", "SMILES:COc1cc(C(=O)O)ccc1COc1cccc([C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLBCUOLUVNSSP-CJPRTRIKSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OC[C@H]2CC[C@H](C(=O)O)CC2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUUBKRWEOPRKFC-JDRLYAORSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)o2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSIONULMMKTSJ-UZGNFBRWSA-N", "SMILES:Cn1nc(C(=O)OCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1COc1cccc([C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTMUSTVNAHXQQF-XFKJAIHHSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2nc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)co2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUWNRRAIDXLPKG-IIGFPRLYSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2cccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANLKDACTIRKTE-HITUISKBSA-N", "SMILES:COc1cc(C(=O)OCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1COc1cccc([C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOKODMLZOKTKP-DQEYMECFSA-N", "SMILES:Cn1nc(C(=O)O)cc1COc1cccc([C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAXUZKBMSNSUBP-ZDUSSCGKSA-N", "SMILES:O=c1ccc2c([C@@H](O)CNCCCCO)ccc(O)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290141", "category": ["biolink:ChemicalEntity"], "name": "BRANAPLAM", "xref": ["InChIKey:STWTUEAWRAIWJG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1"], "synonym": ["Branaplam", "Branaplam", "Nvs-sm1", "LMI-070", "LMI070", "NVP-LMI070-NX", "Branaplam"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBBRWUUNXGXNH-UHFFFAOYSA-N", "SMILES:CC1(C)CC(Oc2ccc(-c3ccc(-c4ccnc(O)c4)cc3O)nn2)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBGKCCTJNYZMA-UHFFFAOYSA-N", "SMILES:CCN1CCC(c2cc(C)c3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APXTULSKNLWAOS-UHFFFAOYSA-N", "SMILES:CCN1CCC(c2cc3c(F)cc(-c4cc(C)c5nc(C)cn5n4)cc3nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL183937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYFQAHYWIYNES-PFKOEMKTSA-N", "SMILES:Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBWASQILIWPZMG-WLNBBENOSA-N", "SMILES:OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OC4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2414617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQWNUPFPUXHKAQ-OSKXVONFSA-N", "SMILES:OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(-c4ccc(F)nc4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDRXGFQVGOQKS-AFDCHOCNSA-N", "SMILES:CCOc1ccc(Cc2cc([C@H]3O[C@@H](SC)[C@H](O)[C@@H](O)[C@@H]3O)ccc2Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5182632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRAPPBHMSJGTEO-OMZCGLGVSA-N", "SMILES:COc1ccc(Cc2cc([C@H]3O[C@@H](SC)[C@H](O)[C@@H](O)[C@@H]3O)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBARDSTXONTFS-MNDUUMEHSA-N", "SMILES:Cc1cc(OCCCNCCC(N)=O)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRVUXRGMYXKVHJ-XDXGNBCUSA-N", "SMILES:CC(=O)NNC[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWTHDCJZFZZRRO-RPPGHHEOSA-N", "SMILES:O/N=C/[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCBKYPOMIXGNU-ANKMGDBHSA-N", "SMILES:CO/N=C/[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVWUWKGTKFSEW-YPLKKZFVSA-N", "SMILES:O=C(N/N=C/[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXRSOMZPLVDMH-PRDVQWLOSA-N", "SMILES:CONC[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDYOKVCLBJZKG-PRDVQWLOSA-N", "SMILES:COC(=O)NNC[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGIBKXRQBDEKY-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2cccnc21)N1CCN(c2ccccc2-c2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJJPIDLVBKROHU-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2cccnc21)N1CCN(c2ncccc2-c2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKDMTJWHCXJHY-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2cccnc21)N1CCN(c2nnccc2-c2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHJMMJVSLOVSN-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2cccnc21)N1CCN(c2ncsc2-c2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNKCPHWBRAKKNP-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2cccnc21)N1CCN(c2cccnc2-c2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZVUUKBPVPDQO-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnc2cccnc21)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZJAXJXLVRTOE-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZJAXJXLVRTOE-HNNXBMFYSA-N", "SMILES:C[C@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXOCJQGAWLLMQP-MRXNPFEDSA-N", "SMILES:CC[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTUWPSNEZJLVDO-OAHLLOKOSA-N", "SMILES:Cc1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVQHSLWAWYYPCD-MRXNPFEDSA-N", "SMILES:CCc1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEMATWPFDYPDGS-QGZVFWFLSA-N", "SMILES:CC(C)c1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYCIVVXGRDGDMY-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(c2sc(C3CC3)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZIMMMZJZDSBL-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(c2sc(CO)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWEYPYDCLNMMCX-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(c2sc(C3COC3)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRBJYVXACGXMC-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(c2sc(CN(C)C)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3978935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDZWWNBSQEKTQ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFXGXPXGJFERZ-OAHLLOKOSA-N", "SMILES:COc1ccc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACUNCNAGINCQW-CQSZACIVSA-N", "SMILES:COc1ccc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWKHWVAFXYSMV-CYBMUJFWSA-N", "SMILES:COc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJUPTBJVOMJCO-CQSZACIVSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHHCRXKWPFNLU-CYBMUJFWSA-N", "SMILES:Cc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIWTCCTICJGQD-OAHLLOKOSA-N", "SMILES:CCCc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYQRCZRHRQEMDZ-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2cnc(OCCN(C)C)nc2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYHBCLVDDXPZFW-OAHLLOKOSA-N", "SMILES:COCCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLVSYMSHMPDLDC-OAHLLOKOSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cnc4ccccc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGFAGJTSJALSV-OAHLLOKOSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3ccc4cccnc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKXDGMZWBPPROG-OAHLLOKOSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3ccc4cnccc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHCHSHBZTNEQGO-CQSZACIVSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3ncc4cccnc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMAFLQUUCFSCKQ-OAHLLOKOSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)CN3C(=O)Cc4ccccc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMVSBLODQFXGED-CQSZACIVSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3c(=O)oc4ccccc43)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYIPMMMMYIYKNH-CYBMUJFWSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cccn3)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQCZTRSSXULOZ-CQSZACIVSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3nccc3C)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNWYUHTYYMOKEC-CQSZACIVSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3ccc(C)n3)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJXUXNMBYAVBNZ-OAHLLOKOSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3nc(C)cc3C)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCYGASZSBZTJJB-GFCCVEGCSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3nc(C)nc3C)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPYPBJJEIJUBY-GFCCVEGCSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKKTUGMIMJTHL-LLVKDONJSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cnc(C(F)(F)F)n3)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGSLLVSTSRSKW-GFCCVEGCSA-N", "SMILES:CCOc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cc(Cl)cn3)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGJXZQGVNJUBB-LLVKDONJSA-N", "SMILES:COc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3nc(C)nc3C)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVSKYZTMULUBO-CYBMUJFWSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(OC(C)C)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYHRPCZNDBJPKM-CYBMUJFWSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(OC4CCC4)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXPGZIREDSCQL-LLVKDONJSA-N", "SMILES:Cc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3nc(C)nc3C)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZNYLAAYGQFRQK-GFCCVEGCSA-N", "SMILES:CCc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3nc(C)nc3C)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMSGXKNNBJYJW-CYBMUJFWSA-N", "SMILES:CCCc1ncc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3nc(C)nc3C)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBVWHCXAKEDFM-GFCCVEGCSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C4CC4)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLHIASGSJBGLL-CYBMUJFWSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(C)(C)C)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGPUYUYHRIAAX-CQSZACIVSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(N4CCCC4)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICSXEIGDNSDUPH-GFCCVEGCSA-N", "SMILES:COc1ccc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3nc(C)nc3C)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLQWYXVHVHGANW-CYBMUJFWSA-N", "SMILES:CCOc1ccc(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3nc(C)nc3C)[C@H](C)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKBGGWOJWTTBQ-LLVKDONJSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3ccc(C(F)(F)F)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHOBSIPZJJYRP-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2sc(Br)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JENUMEXEVAAAJX-SNVBAGLBSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQUSIVDWLMQKD-UHFFFAOYSA-N", "SMILES:Cn1c(CN2CCN(c3ccccc3NC(=O)c3ccco3)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POXNPPFEWKTPBX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1N1CCN(C(=O)Cn2cnc3cccnc32)CC1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGYITSXSLGGZTJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1N1CCN(C(=O)Cn2cnc3cccnc32)CC1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMGCLSFRNOFOR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncccc1N1CCN(C(=O)Cn2cnc3cccnc32)CC1)c1cccc(Cl)c1"]}
{"name": "C-X-C chemokine receptor type 3", "xref": ["CHEMBL.TARGET:CHEMBL5200"], "id": "UniProtKB:O88410", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "C-X-C chemokine receptor type 5", "xref": ["CHEMBL.TARGET:CHEMBL1075315"], "id": "UniProtKB:P32302", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL40254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFUVGRQBNMTRO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccccc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXWMMUZUQHEUGR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYYPEWAGGYYYPD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N)cc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEZWQOJTHNHFCJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N(C)C)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUTGUOGUAWKQNY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N(C)C)cc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXZDWNOOGBAAQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccn2cc(-c3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OASATYCZTVFPMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(NCCCN4CCOCC4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADLEZWSDYWOHB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(NCCCN4CCOCC4)cc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTSWOFWRWXVGBP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(NCCN4CCOCC4)cc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPMYOBLKXBYRR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(NCCCN4CCCC4)cc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZANUCFNRYJQCM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(NCCCn4ccnc4)cc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPISMDGZKQTGNI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCNCC4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMNJPJXUGZCBE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCNCC4)cc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSIADNCEKEGEZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCNCC4)cc3n2)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYHDYFYSKXIRP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C5CCCC5)CC4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBOZMVKKSBMOK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C5CCCC5)CC4)cc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTJQPKNHIODBY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C5CCCC5)CC4)cc3n2)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCTXTGHIUSDGRP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C5CCCC5)CC4)cc3n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSOVBWUBBGMCAZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C(C)C)CC4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIQKQMIPZIGLSU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C(C)C)CC4)cc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSWTAJLBRTEOO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C(=O)C5CCCC5)CC4)cc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJSKFITMVNYKH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C(=O)C5CCCC5)CC4)cc3n2)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUHYNOMCKJNQX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C(=O)C5CCCC5)CC4)cc3n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCQSQPJDMWQFG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C(=O)c5ccccc5)CC4)cc3n2)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWMKOMXCSVXDG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C(=O)c5ccc(F)cc5)CC4)cc3n2)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZVNETVIQMOJHU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)c(OCCCN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAISOQWERLVTR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)c(OCCCN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTIWHGTZOGUJDM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCNCC4)cc3n2)c(OCCCN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNAOUDHYGDCBQL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCNCC4)cc3n2)c(OCCCN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODJFSFVLOSCBU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C5CCCC5)CC4)cc3n2)c(OCCCN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVJDKFXIKYIFN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccc(N4CCN(C5CCCC5)CC4)cc3n2)c(OCCCN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHJHOIOZOVUQT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(N4CCN(C5CCCC5)CC4)ccn3c2NC2CCCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHNBDYVBHBLEW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(N4CCN(C5CCCC5)CC4)ccn3c2NCc2ccccc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCUHHLRTYPPVLV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(N4CCN(C5CCCC5)CC4)ccn3c2CN2CCOCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJOEPDAOOKSDR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(N4CCN(C5CCCC5)CC4)ccn3c2CN2CCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGIPKMSDRLUKHM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(N4CCN(C5CCCC5)CC4)ccn3c2CN2CCCC2)c(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDXYNXZYMLETKP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(N4CCN(C5CCCC5)CC4)ccn3c2CN2CCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMPSBXPZQTZDBB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(N4CCN(C(C)C)CC4)ccn3c2CN2CCOCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDACGIWUTIGQPS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(N4CCN(C(C)C)CC4)ccn3c2CN2CCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEASEXLHFVEZPV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(N4CCN(C(=O)C5CCCC5)CC4)ccn3c2CN2CCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NICJGIQLCSNIEP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccn3c2N)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMWJLAXMADJFX-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNLHWSFQQOHAB-OAHLLOKOSA-N", "SMILES:Cc1ccc(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYXEDQPNCNOKN-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYEIUZNQACCUFA-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQETWNSPPDJJEM-GFCCVEGCSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUHNDVNLBFLPEP-LLVKDONJSA-N", "SMILES:Cc1nnc(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCBWGNVFXNKDSZ-OAHLLOKOSA-N", "SMILES:Cc1nn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)cc1CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNIFZOCKSHTJHV-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1ccc(C(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSTJHRDIPINCJV-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2c1CCN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3985006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOFIXNFEMVOEC-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1c(=O)[nH]c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSJFBRAJAMDSBJ-GICMACPYSA-N", "SMILES:COC1CCN(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLQPMLTUPLZPTH-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)CN1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDOLKXWWPFVDTC-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cc(C2CCN(C)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZGLMUSYBMJBA-OXQOHEQNSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)CN1C(=O)OC[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSLFCCQXGPWFZ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3n2C)CCN1C(=O)Cn1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPARPLJOCSXQOF-MRXNPFEDSA-N", "SMILES:COCCn1c(-c2nc(C(F)(F)F)sc2N2CCN(C(=O)Cn3cccn3)[C@H](C)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPLFXLDZSNCPH-LLVKDONJSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4c(F)cccc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVSQNBQDYIPMCX-CYBMUJFWSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4cccc(C)c4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSIWMXKSXXVOQY-LLVKDONJSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4c(C(F)(F)F)cccc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGKGFDQVXICKG-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3cc(Cl)ccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHYXXPXLEAQCEO-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQJDCGVYFWPJEV-CQSZACIVSA-N", "SMILES:COc1cc2nc(-c3nc(C(F)(F)F)sc3N3CCN(C(=O)Cn4cnc5cccnc54)[C@H](C)C3)[nH]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRUVZBDFYNULNQ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccc(CO)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJHWXFTZYDAOIA-OAHLLOKOSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(C5CCOCC5)cc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLSDQBKJIONGY-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3cc(OCCO)ccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXSJVEPSPDNXAP-CYBMUJFWSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(OC5COC5)cc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSKEPYLVQXZET-GFCCVEGCSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYUBRILLHMIAQ-GFCCVEGCSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(-c5noc(C)n5)cc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOHNTRTGVOMDH-CYBMUJFWSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(-n5cncn5)cc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVWBATJWOASXRW-MRXNPFEDSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(C5CCN(C)CC5)cc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWKXSFZNTWSCC-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CCN1C(=O)Cn1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZNCFNOCOZMAS-OAHLLOKOSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(N5CCOCC5)cc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3976317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNCHVTQEAKBTIL-OAHLLOKOSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(C5CCNCC5)cc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKVNPZBCHHFZPL-CYBMUJFWSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(OC5CNC5)cc4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUMLFHVOQQAUKN-SNVBAGLBSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(O)c(F)c4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTJPKSYZVYFIEX-GFCCVEGCSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(C(C)(C)O)c(F)c4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZAGAEQMJDXULY-CQSZACIVSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(N5CCOCC5)c(F)c4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONUOMGBOIHWKV-CQSZACIVSA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4cc(N5CCOCC5)cc(F)c4[nH]3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCWJGVVNQGGDX-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)c(F)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099695", "category": ["biolink:ChemicalEntity"], "name": "OSILODROSTAT", "xref": ["InChIKey:USUZGMWDZDXMDG-CYBMUJFWSA-N", "SMILES:N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1"], "synonym": ["Osilodrostat", "Osilodrostat", "Lci-699", "Lci699", "Osilodrostat", "LCI-699-NX", "LCI699-NX", "Osilodrostat"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5196053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDORZDUKJUVVTR-YBLQJDFOSA-N", "SMILES:O=C(Nc1ccccc1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQNZFGCLVJEDP-HRWHDRTOSA-N", "SMILES:CN(C(=O)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNHAKBGQSAPJY-HRWHDRTOSA-N", "SMILES:Cc1ccccc1NC(=O)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBWJIMHUKAZBP-HRWHDRTOSA-N", "SMILES:Cc1cccc(NC(=O)[C@]23ON=C(c4cccnc4)[C@H]2[C@@H]2CC[C@H]3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQGVRORJQFHEJ-HRWHDRTOSA-N", "SMILES:Cc1ccc(NC(=O)[C@]23ON=C(c4cccnc4)[C@H]2[C@@H]2CC[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJYSBZODNNKOE-HRWHDRTOSA-N", "SMILES:N#Cc1cccc(NC(=O)[C@]23ON=C(c4cccnc4)[C@H]2[C@@H]2CC[C@H]3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLOCCONYLUVLW-HRWHDRTOSA-N", "SMILES:N#Cc1ccc(NC(=O)[C@]23ON=C(c4cccnc4)[C@H]2[C@@H]2CC[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMEHOLHTABFZJF-SWQHDHIYSA-N", "SMILES:COc1ccccc1NC(=O)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQPCVPDRHAFGOC-SWQHDHIYSA-N", "SMILES:COc1cccc(NC(=O)[C@]23ON=C(c4cccnc4)[C@H]2[C@@H]2CC[C@H]3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOXXHIRKEFPSRQ-SWQHDHIYSA-N", "SMILES:COc1ccc(NC(=O)[C@]23ON=C(c4cccnc4)[C@H]2[C@@H]2CC[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPCNDHJBQJHHT-CIEYIMOZSA-N", "SMILES:O=C(Nc1ccccc1F)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKHXXKPOGVWEB-CIEYIMOZSA-N", "SMILES:O=C(Nc1cccc(F)c1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYVKPWZUEPYJFV-CIEYIMOZSA-N", "SMILES:O=C(Nc1ccc(F)cc1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDZHBUVHLWPPU-CIEYIMOZSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTDQICSADFPUBS-CIEYIMOZSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKUQLNAMXAZHGG-VIJAYCRASA-N", "SMILES:O=C(Nc1cccc(Cl)c1Cl)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEVWTWDSRCPEIL-CIEYIMOZSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWDBLPEXYHMSG-CIEYIMOZSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCGOKLUEIHSPME-CIEYIMOZSA-N", "SMILES:Nc1ccccc1NC(=O)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAFIJYSVIAGRY-YBLQJDFOSA-N", "SMILES:Cc1ccncc1NC(=O)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKSPVHSJQFXNH-LHNNODEJSA-N", "SMILES:O=C(Nc1cccc(F)n1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNFSUSXMQQHKTB-BFPDHSSHSA-N", "SMILES:O=C(Nc1ncccn1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCLPDOIXMCVHZ-ISWKXVRNSA-N", "SMILES:O=C(Nc1nc2ccccc2[nH]1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFITLVIBDVAHP-KMZKHPOUSA-N", "SMILES:O=C(Nc1ccc2cc[nH]c2c1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRCWZMGKIMWEH-KMZKHPOUSA-N", "SMILES:O=C(Nc1ccc2[nH]ccc2c1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCILOTQUBUJVEZ-CLUUVZMGSA-N", "SMILES:O=C(Nc1cnc2[nH]ccc2c1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHYMBULABJHQT-OKNMBPCOSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)[C@]12ON=C(c3cccnc3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITXKVBNCRMALQA-FTKGLCEHSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)[C@]12ON=C(c3cncc(Br)c3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LITMCUYQKURFCJ-GXCVBTPRSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)[C@]12ON=C(c3cncc(-c4ccoc4)c3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWBIKBUEUFPSL-GXCVBTPRSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)[C@]12ON=C(c3cncc(-c4ccsc4)c3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFPXFNCDSULPOK-MNAYGOKHSA-N", "SMILES:N#Cc1cccc(-c2cncc(C3=NO[C@]4(C(=O)Nc5ccc6[nH]ncc6c5)[C@H]5CC[C@H](C5)[C@H]34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKSHQRPRYKWGU-MNAYGOKHSA-N", "SMILES:N#Cc1ccc(-c2cncc(C3=NO[C@]4(C(=O)Nc5ccc6[nH]ncc6c5)[C@H]5CC[C@H](C5)[C@H]34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLZVQAWPHNFIN-VVAOOJQESA-N", "SMILES:COc1cccc(-c2cncc(C3=NO[C@]4(C(=O)Nc5ccc6[nH]ncc6c5)[C@H]5CC[C@H](C5)[C@H]34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPLLQCDVBRMQC-CDOHHPMZSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)[C@]12ON=C(c3cncc(-c4cccc(F)c4)c3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNZADJMEJGXZJX-CDOHHPMZSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)[C@]12ON=C(c3cncc(-c4ccc(F)cc4)c3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTNQQSWZGOKXTN-CDOHHPMZSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)[C@]12ON=C(c3cncc(-c4cccc(C(F)(F)F)c4)c3)[C@H]1[C@@H]1CC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL287677", "category": ["biolink:ChemicalEntity"], "name": "DEXFADROSTAT", "xref": ["InChIKey:CLPFFLWZZBQMAO-CQSZACIVSA-N", "SMILES:N#Cc1ccc([C@H]2CCCc3cncn32)cc1"], "synonym": ["Dexfadrostat", "Dexfadrostat", "Dexfadrostat", "Fadrozole, (r)-", "R-fadrozole"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31215", "category": ["biolink:ChemicalEntity"], "name": "S-FADROZOLE", "xref": ["InChIKey:CLPFFLWZZBQMAO-AWEZNQCLSA-N", "SMILES:N#Cc1ccc([C@@H]2CCCc3cncn32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHXGASCCALSAJ-PRIMNGNOSA-N", "SMILES:CCCCC#Cc1nc(N)c2nc(-c3cccs3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVNFJUKQLUXMAI-UQKJNECSSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAAUNWMCDXUIJW-CMDCUOFXSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZMQQCYMZLEDK-FNJHLGSQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBJSALHBLNBJLL-DWKFSFQHSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNQNRKFVOXEAS-GCZANAOGSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRLFTBNSQKUBS-OKNJDGFMSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKYXEVNWJRJXGK-WORWOLNNSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQCNFJINBOEFR-ZYCYQRPVSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPSYHVYAXDOAF-SLSRAAKCSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKRBRCIJWLUXIM-PRWHUYHMSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUNABGHMEOZDGN-DPIPGNFYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLOZQTWKPBKWFP-DAHHNKMNSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTHNMHAUYICORS-KTKZVXAJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5174875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMYMGDKGSBDGMC-UFFVCSGVSA-N", "SMILES:O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1cccnc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYBIMSPDCMSCK-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)CC(C(=O)N(C)Cc1cc(C(=O)O)c(C)o1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFOSACYCLBYVKP-UHFFFAOYSA-N", "SMILES:Cc1oc(CN(C)C(=O)CCc2nc(C3CC3)no2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRKQDZPZOUPNW-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3c(c2)CCCC(=O)N3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCFTUVQGAKKDZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1c[nH]c(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1894580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNKZNDDUSKIPF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHGAMFJXLBMRS-YOBLAHPSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMHYRFPBRUZUHO-BDEWENLHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQKVKYLBNOPEL-BDEWENLHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRVFAUCCQHZMRS-BDEWENLHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJIWCSXQZTPKM-MPAYVIJZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDDFUNEDXKVFM-MPAYVIJZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFEKGSUYFURXSR-MPAYVIJZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXUWZBNZLHNRK-DMYQYOQPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBWAKBRUJUZANA-DMYQYOQPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXASABXXQAZHN-DMYQYOQPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGFIVFAHJARVCU-XHFWXOQVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRQMBNHPCUDXNE-XHFWXOQVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIDHQMNNMLWHN-XHFWXOQVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGUDCZFROGMQD-KAQYDFQUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBADFIRMBLEICH-OQVGSLNPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZRXYYUFJICHR-PTZOYWKSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COC)NC(=O)[C@H](COC)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](COC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)OC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWVFWAOBXHFIOD-BRLXHWNCSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CC)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRALFQLGJKZGBF-ZAGFFSAWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXRMYXIFMHONZ-HUKDYVGWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUAVYAQRUPYHA-YQIYYRDPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTDFYGSSDDMNHI-UHFFFAOYSA-N", "SMILES:CC[S+]([O-])c1nc(-c2cccc(OCc3ccccc3)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVPALYZWSZQBEZ-CYBMUJFWSA-N", "SMILES:Cc1ccc2nc(C(=O)NC[C@@H](F)CO)cc(Nc3ccccc3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWXXJHSSXIMSX-GFCCVEGCSA-N", "SMILES:O=C(NC[C@@H](F)CO)c1cc(Nc2ccccc2F)c2cc(Br)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMABVVAZGPGOC-GFCCVEGCSA-N", "SMILES:O=C(NC[C@@H](F)CO)c1cc(Nc2ccccc2F)c2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTOVJWIULULGGI-GFCCVEGCSA-N", "SMILES:CO[C@@H](CO)CNC(=O)c1cc(Nc2cccc(F)c2F)c2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKDAZICAFJLMQY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYFWECAPDBJKQW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2cccc(OS(N)(=O)=O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMHDFLXMHWFAX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSJVKGJRGTXORL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)N(C)c3ccccc3C)o2)ccc1OS(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJUENWKJAGUPA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)c(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJKAYNTYSBMZBO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRGJCGBRYIDNM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKNGHQIIVCADB-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSBFOIKRCUCYNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIAPMXCJSTWBHY-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTYAHGINEOSLMX-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQFQGJGPXIXKI-UHFFFAOYSA-N", "SMILES:Cc1cccnc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTSFEBLPAVVYOA-UHFFFAOYSA-N", "SMILES:Cc1ccncc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQRQCWTDLFDFT-UHFFFAOYSA-N", "SMILES:Cc1ncccc1N(C)C(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQWXQPKRKVVEA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1nnc(-c2ccc(OS(N)(=O)=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGSIRYHWPNHOS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1coc(-c2ccc(OS(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFOIBULGTCOPNO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1csc(-c2ccc(OS(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUJGLRPBLOBEX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1cnc(-c2ccc(OS(N)(=O)=O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEFUQEYGXTTXJH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2cccc(O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPBAMOJSSTUAOO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1ccc(-c2ccccc2O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPWNEPMYANAZIO-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1N(C)C(=O)c1ccc(-c2ccc(O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIIRVJGIVROMCZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1N(C)C(=O)c1ccc(-c2ccc(O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDSGXVBXCJPWEO-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1N(C)C(=O)c1ccc(-c2ccc(O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMSXKJVULVZSSZ-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1N(C)C(=O)c1ccc(-c2ccc(O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEUYJSNWQVWUMR-UHFFFAOYSA-N", "SMILES:Cc1cccnc1N(C)C(=O)c1ccc(-c2ccc(O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHMMIOXUKLKJX-UHFFFAOYSA-N", "SMILES:Cc1ccncc1N(C)C(=O)c1ccc(-c2ccc(O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQITUVMFZOMWQL-UHFFFAOYSA-N", "SMILES:Cc1ncccc1N(C)C(=O)c1ccc(-c2ccc(O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXURFDLQZCTFJP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1nnc(-c2ccc(O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFLPVPNPHDTGEB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1coc(-c2ccc(O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQCZVACSHKSREX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1csc(-c2ccc(O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHYNPCCNPFLSI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)C(=O)c1cnc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633460", "category": ["biolink:ChemicalEntity"], "name": "PF-06282999", "xref": ["InChIKey:ICYNYWFGIDGBRD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O"], "synonym": ["Pf-06282999"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5200638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMNQNGTVFNOHLD-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=S)n(Cc2ccc(F)cc2)c2nc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUBUGDAWEWYIEQ-UHFFFAOYSA-N", "SMILES:CC(C)NCc1ccccc1Cn1c(=S)[nH]c(=O)c2[nH]cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOVWUUZYWGSGRC-UHFFFAOYSA-N", "SMILES:CC(C)NCc1ccccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRHSKPBSBCCJO-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=S)n(Cc2ccccc2CN2CCC2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFCVOLWLNXXQFY-UHFFFAOYSA-N", "SMILES:NCc1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JABFRGYJMKKWKF-UHFFFAOYSA-N", "SMILES:NC(c1ccccc1)c1ccccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBSZQFHHPQENT-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNCc1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZYBHRFKMUJCPS-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODCCOQDROIBJO-UHFFFAOYSA-N", "SMILES:CNCc1c(Cl)cccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPRADQCCKFPXEP-UHFFFAOYSA-N", "SMILES:CNCc1ccc(Cl)cc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKLBACGOUFKKR-UHFFFAOYSA-N", "SMILES:CNCc1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQDMKOHXUMLRM-SECBINFHSA-N", "SMILES:CN[C@H](C)c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095218", "category": ["biolink:ChemicalEntity"], "name": "MITIPERSTAT", "xref": ["InChIKey:BHKKSKOHRFHHIN-MRVPVSSYSA-N", "SMILES:C[C@@H](N)c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"], "synonym": ["Mitiperstat", "Mitiperstat", "Mitiperstat", "Azd 4831", "Mitiperstat", "AZD-4831", "AZD4831"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHKKSKOHRFHHIN-QMMMGPOBSA-N", "SMILES:C[C@H](N)c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTRVBMWPOQGJP-SSDOTTSWSA-N", "SMILES:C[C@@H](N)c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]cnc21"]}
{"name": "Erythropoietin", "xref": ["CHEMBL.TARGET:CHEMBL5837"], "id": "UniProtKB:P01588", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUSMLQPUMADOKR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2[nH]ncc12)N1CCN(c2ncccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEIOBQBMFLAYTP-UHFFFAOYSA-N", "SMILES:Cc1cccnc1N1CCN(C(=O)Nc2cccc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSJMDJATBVAFP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2[nH]ncc12)N1CCN(c2ncccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDLAURDCWYGCS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2[nH]ncc12)N1CCN(c2ncccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUQPXHYTFOINJF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2[nH]ncc12)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFGFOWQXXPQDAM-UHFFFAOYSA-N", "SMILES:COc1cccnc1N1CCN(C(=O)Nc2cccc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURVFAOMSGCINR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)Nc2cccc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUHZHROFYGGTNI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2[nH]ncc12)N1CCN(c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMZNBNFFIUQEKS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2[nH]ncc12)N1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAGNGLEHOXOCG-UHFFFAOYSA-N", "SMILES:Cc1cccnc1CN1CCN(C(=O)Nc2cccc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYRGLRKOHJTCU-UHFFFAOYSA-N", "SMILES:Cc1cccnc1N1CCN(C(=O)Nc2ccc3[nH]ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIGQIHNBLCHRY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)N1CCN(c2ncccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZPJMIRSTZZAPF-UHFFFAOYSA-N", "SMILES:Cc1cccnc1N1CCN(C(=O)Nc2ccc3cn[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKKAKSKUFKDOND-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCN(c2ncccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOHWDOYBTQYCSO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)N1CCN(c2ncccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNUWTLVBOXWBRQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)N1CCN(c2ncccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDKCHNJWPWDORA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXMJUUPRSXHJKC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKWPMCUKVXADPQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)N1CCN(c2ccc(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLNZCFJTPHITKY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJSHCCODMHNMT-UHFFFAOYSA-N", "SMILES:COc1cccnc1N1CCN(C(=O)Nc2ccc3[nH]ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUCWYXVDAVMLSI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)Nc2ccc3[nH]ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYFFFMAROBOJD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)N1CCN(c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NARUQZSDOFFOCH-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(C(=O)Nc2ccc3[nH]ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWKPVZBGIQUFFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)N1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNISXBMUWIJZHC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCN(c2ncccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNONVTYXWHLTIO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCN(c2ncccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVYDATVHXLQDFS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTJAQJJVLNGJAL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDHVRKLICPIOOQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCN(c2ccc(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWWYNZXCPPKGAY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBEDJLMXQLVFFX-UHFFFAOYSA-N", "SMILES:COc1cccnc1N1CCN(C(=O)Nc2ccc3cn[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXFOYGYCSLCILH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)Nc2ccc3cn[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLFWHPIMLGNPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCN(c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBOJVQZHZQPAE-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(C(=O)Nc2ccc3cn[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAOSUQOBHSXLDD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGNGUOQMWUSJTN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCNCC1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSHIYIOTKUUFE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCCN(c2ccc(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACMVWFIWHUKLFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)N1CCCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHOSTEAQPWQPQB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)N1CCCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGAGRXFWASGQD-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(NC(=O)N3CCN(c4ccc(Cl)cn4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJNAWYLWFUAAIH-UHFFFAOYSA-N", "SMILES:Cn1ncc2ccc(NC(=O)N3CCN(c4ccc(Cl)cn4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFAMEFKPPVKAPH-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(NC(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDMNFNBDGNROD-UHFFFAOYSA-N", "SMILES:Cn1ncc2ccc(NC(=O)N3CCC(c4cccc(Cl)c4Cl)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZXHXWUPUOJKN-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cn3c(C(=O)N(C)c4ccccc4)cn(C)c3=O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCHZVKTEHUKCF-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cn3c(C(=O)N(C)c4ccccn4)cn(C)c3=O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEAGHFCJQERFF-UHFFFAOYSA-N", "SMILES:Cc1cc2ncc(Cn3c(C(=O)N(C)c4ccccc4)cn(C)c3=O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYRACSKBFXOOO-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cn3c(C(=O)N(C)c4ccccc4)nn(C)c3=O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMIYYUBFUEGEM-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cn3c(C(=O)N(C)c4ccccn4)nn(C)c3=O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNIQXOMVHKJNW-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cn3c(C(=O)N(C)c4ccccc4)cccc3=O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQDMXIRVYAGFSP-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cn3c(C(=O)N(C)c4ccccc4)nccc3=O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHZDHZUNFCOZFX-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cn3c(C(=O)N(C)c4ccccc4)coc3=O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZNRVIOTBAGDB-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cn3c(C(=O)N(C)c4ccccc4)noc3=O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWNZUVOUWQGFJW-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cn3nncc3C(=O)N(C)c3ccccc3)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPDSTVJCBICCM-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(Cn3nccc3C(=O)N(C)c3ncccc3F)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBIHGGHDUFLKT-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2c(ccc3[n+]2C(OC)C[Se]3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUCLIKLMKDOFAE-PELIQRIMSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCC(F)(F)c2cnc(-c3ccc(C(C(=O)NO)c4ccccc4F)cc3)nc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIGJBGCHCAMMB-DGTRGAFGSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(F)(F)c2cnc(-c3ccc(C(C(=O)NO)c4ccccc4F)cc3)nc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCYVFIZSHJPMGM-BZWIJWRHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(F)(F)c2cnc(-c3ccc(C(C(=O)NO)c4ccccc4F)cc3)nc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCYVFIZSHJPMGM-CFCRNHAGSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(F)(F)c2cnc(-c3ccc(C(C(=O)NO)c4ccccc4F)cc3)nc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVXIMZTYRLPDR-UYNIEJFQSA-N", "SMILES:CCCN(CCCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QONCFSQPRCINOK-WIIHZIRBSA-N", "SMILES:CCCN(CCCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDZFZJFGKYVBZ-KLSSUPLUSA-N", "SMILES:CCCN(CCCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDZFZJFGKYVBZ-RBILXPFJSA-N", "SMILES:CCCN(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTOHOIPTYJIUCH-KPOBHBOGSA-N", "SMILES:O=C1C[C@H](O)[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@]2(O)C=CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIFBXASHNTXOY-UHFFFAOYSA-N", "SMILES:O=C(CCl)NCc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCVXXMAXSBQRK-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBDOTUJQFEEHA-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)NCc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZMZJPWPJZQKIY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2ncsc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEHQFNWNDQADL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC1c1c(-c2ccncc2)n[nH]c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJOFBZOWIDWSW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cnc2onc(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKUDVFDTMCYHD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1nc2c(s1)COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDQAOULAVFHKBX-DBMPWETRSA-N", "SMILES:COc1cc(C2Oc3ccc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3OC2CO)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL465980", "category": ["biolink:ChemicalEntity"], "name": "ONONIN", "xref": ["InChIKey:MGJLSBDCWOSMHL-MIUGBVLSSA-N", "SMILES:COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5197405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUZAZVPNGPARBQ-AVWBDOJWSA-N", "SMILES:C[C@H](N)C(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUZAZVPNGPARBQ-KEPMVKOISA-N", "SMILES:C[C@@H](N)C(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVDRNCWGZKTBQT-AYGWYOGXSA-N", "SMILES:C[C@H](N)C(=O)N(C)C[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQBHFRGNKZXKZ-JUFZMCDQSA-N", "SMILES:CC(C)[C@H](N)C(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQBHFRGNKZXKZ-UUIJZJDISA-N", "SMILES:CC(C)[C@@H](N)C(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCFQQFYOYIGCB-HOTUBEGUSA-N", "SMILES:NCC(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCRTGVYKNEDCJ-WFGGJUAMSA-N", "SMILES:CC(C)C[C@H](N)C(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAAXPLPGKGINLR-JUFZMCDQSA-N", "SMILES:CSCC[C@H](N)C(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHKBXQHNWCHBR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2CC1CN2c1nc(NC)nc(Nc2cc[nH]n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJVDVBBEFQKJW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CNc2nc(NC)nc(Nc3cc(C(C)(C)C)[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYGFCKQWFCORZ-UHFFFAOYSA-N", "SMILES:CNc1nc(NCc2cccc(NC(=O)CCl)c2)nc(Nc2cc(C(C)(C)C)[nH]n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWMKTLXXRJCGU-UHFFFAOYSA-N", "SMILES:CNc1nc(NCC(NC(=O)CCl)c2ccccc2)nc(Nc2cc(C(C)(C)C)[nH]n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZGQQTVXLAGEN-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc3cn[nH]c3c2)nc(N2CC3CC2CN3C(=O)CCl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSSEVWBRCVTPB-UHFFFAOYSA-N", "SMILES:CNc1nc(NC(c2ccccc2)c2cccc(S(C)(=O)=O)c2)nc(N2CCN(C(=O)CCl)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUQLWDHNYFUPP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CSc1ccc(-c2ccccn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVWPOIUAPXDLMB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAUBXPJKRZBEGW-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOVPBBLWISEDY-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C(=O)NCC(c2ccccc2)N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTHZXYDOJRTPR-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBPPZQRZXRVHDR-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(c3nnnn3Cc3ccncc3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REBZZEDLLSTDTN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(S(=O)(=O)C(Cl)(Cl)Br)ccc1NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQAYQUUQIUXJPB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(S(=O)(=O)C(Cl)(Cl)Br)ccc1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UITALFSITOICNF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(S(=O)(=O)C(Cl)(Cl)Br)ccc1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQVOELIXKRNOAE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(S(=O)(=O)C(Cl)(Cl)Br)ccc1NCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTFCXHSBXYTQC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(S(=O)(=O)C(Cl)(Cl)Br)ccc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AELCINSCMGFISI-UHFFFAOYSA-N", "SMILES:NC1CC1c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5174314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJJVUYQBWQCRG-UHFFFAOYSA-N", "SMILES:CN(CCN(C)C1CC1c1ccccc1)C(=O)Oc1ccc(CONC(=O)CCCCCCC(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIIDYPWKIJECP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2ccc(C3CC3N(C)CCN(C)C(=O)Oc3ccc(CONC(=O)CCCCCCC(=O)Nc4ccccc4)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIIDYPWKIJECP-ZESVVUHVSA-N", "SMILES:CNC(=O)c1cccc(-c2ccc([C@@H]3C[C@H]3N(C)CCN(C)C(=O)Oc3ccc(CONC(=O)CCCCCCC(=O)Nc4ccccc4)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIIDYPWKIJECP-RGULYWFUSA-N", "SMILES:CNC(=O)c1cccc(-c2ccc([C@H]3C[C@@H]3N(C)CCN(C)C(=O)Oc3ccc(CONC(=O)CCCCCCC(=O)Nc4ccccc4)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHGWSSDCGQVTTI-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1C1(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)CC1c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJHKGBZHSCYIO-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1C1(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)CC1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKNVJIANAZPOOC-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC2(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)c2cc(C)ccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFUQPQYCCMPQF-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC2(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)c2cc(C)ccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFQBJQIHQMYWTB-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1C1(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)CC1c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYIZSZVJNIHVCJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1C1(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)CC1c1cccc(OC(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYQKSWXZBCERT-NXVVXOECSA-N", "SMILES:CCCCCCCCCCCCCCNC(=O)/C=C\\C(=O)OC"]}
{"name": "Palmitoyltransferase ZDHHC20", "xref": ["CHEMBL.TARGET:CHEMBL5169156"], "id": "UniProtKB:Q5W0Z9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMLJKLGCUYHAIP-VXPUYCOJSA-N", "SMILES:CCCCCCCCCCCCCCNC(=O)/C=C\\C(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYVLWDQJWWEWCL-PFONDFGASA-N", "SMILES:CCCCCCCCCCCCCCNC(=O)/C=C\\C(=O)OCc1cn(CCOCCOCCOCCO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPRAYRYQQAXQPE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC(Br)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIIUZCPEMOKUSJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(CC#N)CCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBLNSVZHOZOZQX-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZNXFIPUPFDGB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(CC#N)CCOCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVIGNGPOZZVVTQ-PFONDFGASA-N", "SMILES:CCCCCCCCCCCCCCN(CC#N)C(=O)/C=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRRFCYATWORWMO-MSUUIHNZSA-N", "SMILES:C#CCOC(=O)/C=C\\C(=O)NCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHLZCERGMUGXQL-PFONDFGASA-N", "SMILES:CCCCCCCCCCCCCCNC(=O)/C=C\\C(=O)OCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPSZSMLWXYKVIO-JADADZOQSA-N", "SMILES:CCCCCCCCCCCCCCNC(=O)/C=C\\C(=O)OCc1cn(CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)nn1"]}
{"name": "Palmitoyltransferase ZDHHC2", "xref": ["CHEMBL.TARGET:CHEMBL5169204"], "id": "UniProtKB:Q9UIJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRRFCYATWORWMO-WUKNDPDISA-N", "SMILES:C#CCOC(=O)/C=C/C(=O)NCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBDQAXWAGIMNM-UHFFFAOYSA-N", "SMILES:C#CCN(CCCCCCCCCCCCCC)C(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWLWGEWTGVCELL-IAVHNDNQSA-N", "SMILES:COc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@H](N)C3)cc2nc(-c3cc4ccc([C@@H](C)NC(=O)CCC(=O)NS(=O)(=O)c5ccccc5)nc4n3CC3CC3)c(C)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPOIXJXKOVEMMK-SGURQHNMSA-N", "SMILES:COc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@H](N)C3)cc2nc(-c3cc4ccc([C@@H](C)NC(=O)CCC(=O)O)nc4n3CC3CC3)c(C)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLFRTKXSXYRMCR-NQLGDYOOSA-N", "SMILES:COc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@H](N)C3)cc2nc(-c3cc4ccc([C@@H](C)NC(=O)N5CCO[C@@H](C)C5)nc4n3CC3CC3)c(C)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVQFHRHFJDUQB-WUYKWKHLSA-N", "SMILES:COc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@H](N)C3)cc2nc(-c3cc4ccc([C@@H](C)NC(=O)N(C)Cc5cccnc5)nc4n3CC3CC3)c(C)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSECFSPSIZWXKX-SGURQHNMSA-N", "SMILES:COc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@H](N)C3)cc2nc(-c3cc4ccc([C@@H](C)N5CCOC5=O)nc4n3CC3CC3)c(C)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYPOFBCPZVCFFN-RBZQAINGSA-N", "SMILES:COc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@H](N)C3)cc2nc(-c3cc4ccc(N5CCNCCS5(=O)=O)nc4n3CC3CC3)c(C)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZYMQXHKHINOCE-UHFFFAOYSA-N", "SMILES:Cc1c(F)ccc2c(Nc3ccnc(Nc4ccc(N5CCN(C)CC5)cc4)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKYCVQWMFRIMD-UHFFFAOYSA-N", "SMILES:Cc1c(F)ccc2c(Nc3ccnc(Nc4ccc(N5CCNCC5)cc4)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXJVDSUAKISRHY-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3ccnc(Nc4cc(CN5CCNCC5)ccc4F)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QECKUDVHPFTDIB-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3ccnc(Nc4cccc(CN5CCN(C)CC5)c4)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQRQSWJIOMAPJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3ccnc(Nc4ccc(CC5CCNCC5)cc4)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKDGVBLGDMHMJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3ccnc(Nc4cc(F)cc(CN5CCNCC5)c4)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHXGEMVDNDKPE-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc2c(Nc3ccnc(Nc4ccc(N5CCN(C)CC5)cc4)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMUHENDPLCNLHR-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3ccnc(Nc4ccc(N5CCNCC5)c(F)c4)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAHORYBVMDGSEL-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3nc(Nc4cc(CN5CCNCC5)ccc4F)ncc3F)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEWIEHDHZEZSW-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCNUKNAEEMORHW-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3ccnc(Nc4cccc(N5CCOCC5)c4)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKKWVDSWHRDLB-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3ccnc(Nc4ccc(N5CCOCC5)c(Cl)c4)n3)cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQPNCWENITYQI-UHFFFAOYSA-N", "SMILES:N#CC1CCCC1n1cc(C(N)=O)c(Nc2ccc3c(c2)C=CB(O)O3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQOKNSIYLYPMLN-UHFFFAOYSA-N", "SMILES:N#CC1CCCC1n1cc(C(N)=O)c(Nc2ccc3c(c2)COB3O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHPMQCBOHOBTTH-UHFFFAOYSA-N", "SMILES:N#CC1CCOCC1n1cc(C(N)=O)c(Nc2cc(F)c3c(c2)COB3O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCDAKHWMORDIRU-UHFFFAOYSA-N", "SMILES:N#CC1CCOCC1n1cc(C(N)=O)c(Nc2ccc3c(c2)C(Cl)=CB(O)O3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRDWLDXWPGUQLN-UHFFFAOYSA-N", "SMILES:N#CC1CCOCC1n1cc(C(N)=O)c(Nc2cc(Cl)c3c(c2)COB3O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNKIEYOXMKANPE-UHFFFAOYSA-N", "SMILES:N#CC1CCOCC1n1cc(C(N)=O)c(Nc2ccc3c(c2)C2CC2B(O)O3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTEZNZYVGRHERZ-HAZSLVOZSA-N", "SMILES:C=C1[C@@H](OC(C)=O)CC[C@]23C=C(C=O)[C@@H](OC(C)=O)C[C@@]2(C)[C@H](C)CC[C@@]13C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHBOWKLLNKVKN-ZOWXZIJZSA-N", "SMILES:O=c1[nH]c(=O)c2nc(-c3c[nH]c4ccccc34)c(=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5197877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYWZRASVOLJLOW-HAALKUMUSA-N", "SMILES:CC(C)[C@]1(C)CC(=O)N([C@H](c2ccccc2)c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRNZLSXTCLBQMU-NSJVFKKDSA-N", "SMILES:CC(C)C[C@H](c1ccc(C(F)(F)F)c(C(=O)N2Cc3nccnc3C2)c1)N1C(=N)N[C@](CC2CC2)(c2ccccc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRULKACKCWLXKD-XZOQPEGZSA-N", "SMILES:CCC[C@H](c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1)N1C(=N)NC(CC)(CC)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZSBXNGCZIMPB-NHCUHLMSSA-N", "SMILES:CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@@H]4CCOc5ccccc54)cc32)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWUWCOIOZJWDO-LEWJYISDSA-N", "SMILES:CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@H]4CCS(=O)(=O)c5ccccc54)cc32)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDJSVJRZFOZMC-FCHUYYIVSA-N", "SMILES:CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@H]4CCCOc5ccccc54)cc32)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTDXKZXNMWATA-HYBUGGRVSA-N", "SMILES:CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@@H]4c5ccccc5OC4(C)C)cc32)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZSSSHEMYULPX-FCHUYYIVSA-N", "SMILES:CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@H]4CC(C)(C)Oc5ccccc54)cc32)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCCOBZJEKDWVBK-GFOWMXPYSA-N", "SMILES:CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC4CC(=O)Oc5ccccc54)cc32)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDWMDLEIXAHBS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZPJYIIJUFGDEH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYCASJGOJJSHLV-GUYCJALGSA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@H]2CCC[C@@H]2C)C(=O)C32CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCPNXUEDQNSTP-RDTXWAMCSA-N", "SMILES:C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPNUGHHPDHVMX-SFGWALBWSA-N", "SMILES:C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(S(=O)(=O)N[C@@H]4CCCN(C)C4)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLLFLJDJZNJSTE-LBPRGKRZSA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H](C)C2CC2)C(=O)C32CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEZMGVGCNGXKJ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(c2cc(F)ccc2Cl)C(=O)C32CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYUSNWXKXUGGH-OXQOHEQNSA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@]2(C)O)C(=O)C32CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKQOBHZKBDHWQI-HUUCEWRRSA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYUSNWXKXUGGH-VTIXCXEBSA-N", "SMILES:[2H]C([2H])([2H])NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@]2(C)O)C(=O)C32CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKQOBHZKBDHWQI-BZEFIUHZSA-N", "SMILES:[2H]C([2H])([2H])NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBXAEBBIROPOO-IAGOWNOFSA-N", "SMILES:Cn1cc(S(=O)(=O)N2CCC(Nc3ncc4c(n3)N([C@@H]3CCC[C@@H](O)C3)C(=O)C43CC3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAASOIULJHHJRF-DKYHJMRNSA-N", "SMILES:CCCCC[C@@H]1OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C1=O"], "chembl_natural_product": true}
{"name": "Ryanodine receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4745"], "id": "UniProtKB:E9Q401", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXUKHSWOAFAFM-CXYTZJNRSA-N", "SMILES:CCCCC[C@@H]1OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEZMNQKQYLPKDA-CRLGVJNESA-N", "SMILES:CCCCC[C@@H]1OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)NC(=O)[C@H](CCCCC)OC(=O)[C@@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGQCGBVIXRFQO-JEYZWYLSSA-N", "SMILES:CCCCC[C@@H]1OC(=O)[C@@H](C)NC(=O)[C@H](CCCCC)OC(=O)[C@@H](C)NC(=O)[C@H](CCCCC)OC(=O)[C@@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHZSGRTYJGYQC-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXWPGWPDCEIEN-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(N)=O)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQQNRTZHSBDRO-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2csc(C(N)=O)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVFGSUKCYYMXMW-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)NC)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBDKKZVJCTHOR-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)NCC)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYFENIVPHTHGN-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBGUPPRTZADHC-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMLGOAFWNQMRIC-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBGUPPRTZADHC-KEDDFYHOSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3C([2H])([2H])CCC3([2H])[2H])cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZZCUPWZTNLANM-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3C4CCC3CC4)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRBMJDIGONTMK-SIDYLUQLSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3[C@H](C#N)C[C@@H]4C[C@@H]43)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USCJNFHZPVWTEF-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCSC3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGWVZLZTMOBRGM-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)nc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUJZUWWBMPOEDQ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)c(F)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAJANKWKLSNMM-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)NC2CCC(C(=O)N3CCCC3)CC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTQVSOCQDWZJD-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFGCLBLIUJSPT-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMUWUEFLGNSCHX-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGJIWNYJCUQBB-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc3c(c2)CNC3=O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOJWRBGUIZSFPS-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYNSYSZNIZZWLG-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2cccc3c2C(=O)NC3)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVMLRIBLIYHKV-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc3c(c2)CN(C2CC2)C3=O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHRITBKBVLPGPU-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMCCQSJMQZTKNW-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(NCC3CCOCC3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHVYCKTQCDGNM-MPTDGOKMSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(NC[C@@H]3COCCO3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHVYCKTQCDGNM-ZNCSYKOHSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(NC[C@H]3COCCO3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCLKOGMRYVLEF-SHKVTDPKSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)Nc2ccc(NC[C@H]3COCCO3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSAKVQOMGJPOBP-ZNCSYKOHSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(C(=O)Nc2ccc(NC[C@H]3COCCO3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNVKFHIWFDRVNY-UHFFFAOYSA-N", "SMILES:Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUOXNQGHBFJAES-ZGFBMJKBSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTKQNSREVFDFLI-ZGFBMJKBSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1cccc(F)c1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHUCANNVWPKKSW-ZGFBMJKBSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1F)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVCWUTTZVMJNQ-MIRJVGOZSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRECJRUTBHIJFH-ZGFBMJKBSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKAOARSPWSCJAH-ZGFBMJKBSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTXNBRDYYKNDQ-ZGFBMJKBSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFIBVHZJASLGSX-VEYUFSJPSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSORWUMDPWZMJ-ZZXKWVIFSA-N", "SMILES:CCCSC(=O)/C=C/c1cc(O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AREKLEPKFWPMCX-GQCTYLIASA-N", "SMILES:CCCSC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRRIYZJUSNMZMP-PJPYAQQDSA-N", "SMILES:N=C1N[C@H]2[C@H](CO)NC(=N)N3CCC(O)(O)[C@]23N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5192925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJJNNPHQAQLII-VEABSNGSSA-N", "SMILES:N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](OC(=O)c4ccc(F)cc4Cl)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JASALYCADJWQID-VEABSNGSSA-N", "SMILES:N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](OC(=O)c4ccccc4C(F)(F)F)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIGHRURPFWHXDQ-VEABSNGSSA-N", "SMILES:N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](NC(=O)c4ccccc4C(F)(F)F)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYQBMTXAQVNHCL-NDPIOBCDSA-N", "SMILES:N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](NC(=O)C4(C(F)(F)F)CCC4)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJFOYUXGSRSAK-VEABSNGSSA-N", "SMILES:N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](NC(=O)c4ccc(C(F)(F)F)cc4C(F)(F)F)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGOSMYISLXZHL-VEABSNGSSA-N", "SMILES:N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](NC(=O)c4cc(C(F)(F)F)ccc4C(F)(F)F)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQXXVCXFDRFOAC-NUXNZHGMSA-N", "SMILES:N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](NC(=O)c4cccc5c4CCC5)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPILDXMDFYYGB-SWDXJLKVSA-N", "SMILES:CC1(C)COc2c(C(=O)N[C@H]3CN4C(=N)N[C@@H](CO)[C@@H]5NC(=N)N[C@@]54C3(O)O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYMGGEYPNDYSSU-HFJPGXAFSA-N", "SMILES:CC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23NC(=N)N[C@@H]13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5208767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXQODVAZRZCUHG-OFYUCFFLSA-N", "SMILES:N=C1N[C@H]2[C@H](C(=O)O)NC(=N)N3C[C@H](OC(=O)c4ccccc4)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOOKSEJVGUTPAS-UPDUFCCMSA-N", "SMILES:N=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)NC(=N)N3C[C@H](OC(=O)c4cc(C(F)(F)F)ccc4C(F)(F)F)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKGOZLLTJRWPA-OFYUCFFLSA-N", "SMILES:N=C1N[C@H]2[C@H](C(=O)O)NC(=N)N3C[C@H](NC(=O)c4cccc(C(F)(F)F)c4)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMTNSLNLSJAZQW-UPDUFCCMSA-N", "SMILES:N=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)NC(=N)N3C[C@H](NC(=O)c4cc(C(F)(F)F)ccc4C(F)(F)F)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBQLYVTGCPHDR-UPDUFCCMSA-N", "SMILES:N=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)NC(=N)N3C[C@H](NC(=O)c4ccccc4C(F)(F)F)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGVCVURGYFVEP-UPDUFCCMSA-N", "SMILES:N=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)NC(=N)N3C[C@H](NC(=O)c4cccc(C(F)(F)F)c4)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMWVSIVYGNFFJ-UPDUFCCMSA-N", "SMILES:N=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)NC(=N)N3C[C@H](NC(=O)c4ccc(C(F)(F)F)cc4)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYWINVHBDLFQB-FEHLYQECSA-N", "SMILES:N=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)NC(=N)N3C[C@H](NC(=O)c4cccc5c4CCC5)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZAUCXKCFJDDRB-YZQOHXRLSA-N", "SMILES:N=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)NC(=N)N3C[C@H](NC(=O)c4cccc5c4CCCC5)C(O)(O)[C@]23N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVHULALUEWCDKJ-GKEROPHJSA-N", "SMILES:CC1(C)CCOc2c(C(=O)N[C@H]3CN4C(=N)N[C@@H](CN5C(=O)CCC5=O)[C@@H]5NC(=N)N[C@@]54C3(O)O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYIDVGBHOFGXRR-AJYHCQFMSA-N", "SMILES:CC1(C)CCOc2c(C(=O)N[C@H]3CN4C(=N)N[C@@H](CN5C(=O)CNC5=O)[C@@H]5NC(=N)N[C@@]54C3(O)O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBVOMUGCJJLCL-LHXNNTKVSA-N", "SMILES:CN1CC(=O)N(C[C@@H]2NC(=N)N3C[C@H](NC(=O)c4cccc5c4OCCC5(C)C)C(O)(O)[C@@]34NC(=N)N[C@@H]24)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501134", "category": ["biolink:ChemicalEntity"], "name": "SAXITOXIN", "xref": ["InChIKey:RPQXVSUAYFXFJA-HGRQIUPRSA-N", "SMILES:N=C1N[C@H]2[C@H](COC(N)=O)NC(=N)N3CCC(O)(O)[C@]23N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5209116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYLVRHCVANSLN-VPHXOMNUSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3NC(=O)C2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MICSEBMQDDZSJK-GUYCJALGSA-N", "SMILES:C=CN1C(=O)[C@@H]2CN(C(=O)CCOC[C@H](C)Nc3cn[nH]c(=O)c3C(F)(F)F)CCN2c2ncc(C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBSGWPUVFQRELF-LMAJKFRPSA-N", "SMILES:[2H]C([2H])([2H])N1C(=O)C2CN(C(=O)CCOC[C@H](C)Oc3cn[nH]c(=O)c3C(F)(F)F)CCN2c2ncc(C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVDTDPKQSCYAJ-UHFFFAOYSA-N", "SMILES:CC(COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3NC2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMLTTKUOMGTOC-DZGCQCFKSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(Cl)cc3OCC[C@@H]2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWDPJRUFYUWBA-YOEHRIQHSA-N", "SMILES:CN1C(=O)[C@@H]2CN(C(=O)CCOC[C@@H]3CCN3c3cn[nH]c(=O)c3C(F)(F)F)CCN2c2ncc(C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOFCOPHVUTXSRB-HKALDPMFSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3N(C)C(=O)C2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MICSEBMQDDZSJK-SUMWQHHRSA-N", "SMILES:C=CN1C(=O)[C@H]2CN(C(=O)CCOC[C@H](C)Nc3cn[nH]c(=O)c3C(F)(F)F)CCN2c2ncc(C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUGQKUMQTHMSSC-CFMCSPIPSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3NCCC2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIRFUJAKIMLEFY-JSGCOSHPSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@@H]2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGTYNOOBXPDJNC-QWHCGFSZSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(Cl)c(C(F)(F)F)c3OCC[C@@H]2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWDPJRUFYUWBA-WMLDXEAASA-N", "SMILES:CN1C(=O)[C@H]2CN(C(=O)CCOC[C@@H]3CCN3c3cn[nH]c(=O)c3C(F)(F)F)CCN2c2ncc(C(F)(F)F)cc21"]}
{"name": "Venus kinase receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5169215"], "id": "UniProtKB:D5JEH1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6183"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZNTWOVDIXCHHS-CABCVRRESA-N", "SMILES:Cc1cccc(Nc2nc(N[C@H]3CCCC[C@H]3N)ncc2C(N)=O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL515757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXCDJBVXOKGRQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(NCCN)ncc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL586996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGLMNZWQZATBE-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(Nc3ccnc(Nc4cccc(CN5CCOCC5)c4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL453707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UISYHKUAFRQWRK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULRLUFVKXIRNZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQXYQNMPSACKT-UHFFFAOYSA-N", "SMILES:NCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZRFNYHUQSRPCO-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cnc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUKIUUBOQNSCAH-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cnc(-c3ccc(O)cc3)cc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL66077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGJICLLGFIVHNE-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2[nH]c(-c3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJLPDJZYNSSQJO-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2c(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cc4)n3)cnn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZJXIHAAUBRSY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYQKSXNHEVANMM-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(F)c(C(=O)n2nc(Nc3ccc(C(=O)NC)cc3)nc2N)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHISUJEQWHKOI-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCc1ccc(F)c(C(=O)n2nc(Nc3ccc(C(=O)NC)cc3)nc2N)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPNWHUCQWCCBM-ONEGZZNKSA-N", "SMILES:C/C=C/C(=O)NCCc1ccc(F)c(C(=O)n2nc(Nc3ccc(C(=O)NC)cc3)nc2N)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKVVCFCTMZGEW-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCc1cc(F)c(C(=O)n2nc(Nc3ccc(C(=O)NC)cc3)nc2N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTGAALZDCDLBSU-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCOc1ccc(F)c(C(=O)n2nc(Nc3ccc(C(=O)NC)cc3)nc2N)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL321336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHQWXOILCCTOX-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cccc([N+](=O)[O-])c1"]}
{"name": "Transcriptional activator Myb", "xref": ["CHEMBL.TARGET:CHEMBL5169115"], "id": "UniProtKB:P10242", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASRNVZBHIVOPA-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFQPQIGILBZPM-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEIRRIYMVIIAQK-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cccc(S(F)(F)(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CISUNEDRLUOYCJ-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1ccc(S(F)(F)(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUOMMBWBQNBPY-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTMOVDKRYMJNHN-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJWOJCWFIRKDRZ-UHFFFAOYSA-N", "SMILES:CSc1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWGVEDLBIPFGB-UHFFFAOYSA-N", "SMILES:CCOc1c(OC)cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJIJEHBWVAUTG-UHFFFAOYSA-N", "SMILES:CCCOc1c(OC)cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XROQSPRUVSWIFG-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(OC)c1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYALBNZTFRWKJ-UHFFFAOYSA-N", "SMILES:CCCCOc1c(OC)cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOSDQHCJIMFLOV-UHFFFAOYSA-N", "SMILES:C=CCOc1c(OC)cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZIYMFFXZNGZRQ-UHFFFAOYSA-N", "SMILES:C#CCOc1c(OC)cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1276569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJXZJYOTMYIOZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWWIDJXXXPMDR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFWQQQGBNHKOSG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLMITPOQSHPPMM-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNAREHCEAQOQEC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJMQALOATOUFRV-UHFFFAOYSA-N", "SMILES:CSc1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXCYLZAOKAPGPF-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXHGDGRUSQPSFC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWZRRTXLHYEEN-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)c(Br)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPODNVFUMKOJKU-UHFFFAOYSA-N", "SMILES:CCOc1c(I)cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAJUUYKASQFAHS-UHFFFAOYSA-N", "SMILES:CCOc1c(Br)cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJKMVXBYJRMIEM-UHFFFAOYSA-N", "SMILES:CCCCCOc1c(OC)cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539947", "category": ["biolink:ChemicalEntity"], "name": "TYRPHOSTIN AG 879", "xref": ["InChIKey:XRZYELWZLNAXGE-KPKJPENVSA-N", "SMILES:CC(C)(C)c1cc(/C=C(\\C#N)C(N)=S)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVEGTKGHXUUTRR-BETUJISGSA-N", "SMILES:COc1ccc(-c2ccc3nsc(N4C[C@@H](C)O[C@@H](C)C4)c3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOCNIFWVFFJCFT-NSHDSACASA-N", "SMILES:CCCc1cnc(NC(=O)[C@@H](C)c2ccc(NC(C)=O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280074", "category": ["biolink:ChemicalEntity"], "name": "OLOMOUCINE", "xref": ["InChIKey:GTVPOLSIJWJJNY-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5169987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRKZHYSJZOUICG-UHFFFAOYSA-N", "SMILES:Fc1ccc(N2CCCCC2)c(NC(=S)c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJFDRZSXTNLFKT-LCOVJITISA-N", "SMILES:CC1=C(C)C2NC(=O)C(CN3C(=S)N([C@@H](C)c4ccccc4)C(=O)C3C3CC3)C=C2C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSGRZENCFIIHNV-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12"]}
{"name": "Mitogen-activated protein kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL5169219"], "id": "UniProtKB:O42781", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:4754"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONPTLGCLPUHKH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRDJIUFBPXBMLJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c(OC(C)C)snc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1358485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUGSLZCFNSTKBN-UHFFFAOYSA-N", "SMILES:CCN(CC)CC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2037200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBPLKOPSFDBOX-CJLVFECKSA-N", "SMILES:CN1CCCN(C(=O)c2cccc(-c3ccc(/C=C4/C(=O)Nc5ccc(Cl)cc54)o3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL393525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTHCAAFKVUWAFI-DJKKODMXSA-N", "SMILES:Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVNFXCESCXMBC-UHFFFAOYSA-N", "SMILES:CC(=O)/N=c1/[nH]c(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL327127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQFYVPVJZEOFS-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(CO)c3)nc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2093753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCAMQADQTSRNRU-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccs1)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHSCARHMNIQUDB-FMQUCBEESA-N", "SMILES:NC(=S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cccc(Cl)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANUAIBBBDSEVKN-UHFFFAOYSA-N", "SMILES:Nc1cc(N)c(N)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNCIRRXQQTXEL-UHFFFAOYSA-N", "SMILES:CC(C)c1[nH]n(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)nc(=O)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266487", "category": ["biolink:ChemicalEntity"], "name": "RO-316233", "xref": ["InChIKey:DQYBRTASHMYDJG-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12"], "synonym": ["Ro-31-6233"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4556306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSEGDVOYFLNBPZ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMHZCCZYPHJVMS-UHFFFAOYSA-N", "SMILES:Cc1nc2c(NCc3cccc(S(C)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTAJIONBVMKLA-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTGQJWSRIFIEFM-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)c1cc(-c2c(C)nc3c(NCc4ccnc(CC)c4)cc(Cl)nn23)ccc1OO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXZPGHZMGIPOHB-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIAORGFMNXPOV-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HODWICYIOIDOJA-INIZCTEOSA-N", "SMILES:COc1ccccc1-c1cnc2ccc(N3CC[C@H](N(C)C(=O)C(C)(C)C)C3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWSKRFXEGDDKJ-INIZCTEOSA-N", "SMILES:COc1ccccc1-c1cnc2ccc(N3CC[C@H](N(C)C(=O)C(C)C)C3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBIQZUJJSVQHL-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQPXEKITRIKQTD-DEOSSOPVSA-N", "SMILES:Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)CCCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481949", "category": ["biolink:ChemicalEntity"], "name": "ZAPNOMETINIB", "xref": ["InChIKey:XCNBGWKQXRQKSA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl"], "synonym": ["Zapnometinib", "Atr 002", "Atr-002", "Zapnometinib", "ATR-002", "ATR002", "PD-0184264", "Zapnometinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2143507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFSKEXQRNDSSAN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(C)C(=O)Nc2ncc(C(C)C)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMEJTSRAQUFNOP-TURZUDJPSA-N", "SMILES:Ic1cccc(/C=N/Nc2nc(N3CCOCC3)nc(N(c3ccccc3)c3ccccc3)n2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL68409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDJPHSNZGRVPCK-NSCUHMNNSA-N", "SMILES:COC(=O)c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRBQNXUTCVFCO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDKQIDQSWKBHJ-RMKNXTFCSA-N", "SMILES:O=C(O)c1ccc(/C=C/c2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGLEAWUJDYKCF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKUYRRDRPIYIT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPIGXBQPAXXYLU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cn[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQSIJYWHJXLYDF-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2onc(-c3c(Cl)cccc3C(F)(F)F)c2COc2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDFATUNMJYTOGA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2onc(-c3c(Cl)cccc3C(F)(F)F)c2COc2ccc(C(=O)O)cc2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFPRYDHONCEPC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(SCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDKQIDQSWKBHJ-TWGQIWQCSA-N", "SMILES:O=C(O)c1ccc(/C=C\\c2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQYDIXGOMHKCKO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLJOOYIWDJCHA-UHFFFAOYSA-N", "SMILES:CN(Cc1c(-c2c(Cl)cccc2C(F)(F)F)noc1-c1cc[nH]c1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDMGBFIENCDMJS-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKGBPIGPMZZXRO-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTHQHAZITISKDC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVMTWKPGUFPPSP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOSNQENAXBJBDT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFMAHPACZKESQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSCRZNOYFKDGA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)cc(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPBAKYKWDPVPBO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(CN(C2CC2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGGXLVAMCCVAX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)c(Cl)c(F)c(Cl)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYQVLPHPXKRBBH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)cc(F)c(Cl)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQGMZZFRDVBPCD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)c(F)c(Cl)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYEWQOQZANKATO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFIFBCTMZGYCP-SKPFHBQLSA-N", "SMILES:CCC[C@H](C)COc1ccc([C@H](Cn2cc(C(=O)NC)nn2)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIYQTETWNXSHTR-GRZKKUKKSA-N", "SMILES:CCCC(C)COc1ccc([C@H](Cc2nc(C)no2)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOHQDKHZLVTLBJ-SBUREZEXSA-N", "SMILES:Cc1noc(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVJJCGGGDADXNK-SBUREZEXSA-N", "SMILES:Cc1nnc(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWOFQEAXWDXEGF-SBUREZEXSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cc1c[nH]nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPOXGHTXGWTPAQ-UUOWRZLLSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cc1cnn(C)n1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSTXCZUQBKRMN-MBSDFSHPSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cncn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFWOJVPZYQKWBO-MBSDFSHPSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1ccnn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIJNEEAZACWPNP-LZJVKYBRSA-N", "SMILES:CCCC(C)COc1ccc([C@H](Cn2ccnn2)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUXGMDLDGPRJH-CYFREDJKSA-N", "SMILES:Cc1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXCUDAXWJKHDFN-BVZFJXPGSA-N", "SMILES:Cc1nnn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXFQJSPBRYODM-DFBJGRDBSA-N", "SMILES:CCc1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PATXGIDJFPHMTR-FNZWTVRRSA-N", "SMILES:CCCc1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSJMTLABQYVJHJ-FNZWTVRRSA-N", "SMILES:CC(C)c1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXKBJUHVWVPIC-CPJSRVTESA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cc(C(C)(C)C)nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSXFNPKZHGOVPP-IADCTJSHSA-N", "SMILES:CCCCCCc1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMRINSCLOIBZBD-DFBJGRDBSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cc(C2CC2)nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFIYLICWPGYQHY-DWACAAAGSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cc(C2CCCCC2)nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFZQQDVGAXUQC-DWACAAAGSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cc(-c2ccccc2)nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNRTXPYEAFMRL-UUOWRZLLSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cc(CO)nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZAHHSBXPYJOTA-DFBJGRDBSA-N", "SMILES:COCc1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNYJXVFPFCWMAB-SIBVEZHUSA-N", "SMILES:CC(=O)OCc1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEVVUPMKXFUAFJ-UUOWRZLLSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cc(CN)nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWAICBIPKQVSQB-DFBJGRDBSA-N", "SMILES:CNCc1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRRVVFOUCKIRC-FNZWTVRRSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cc(CN(C)C)nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPGSHJJVSZCMRX-CYFREDJKSA-N", "SMILES:CCOc1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJCAXHJUMIDYLL-UUOWRZLLSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cc(C=O)nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCDPBZIKHUEABQ-BVZFJXPGSA-N", "SMILES:CC(=O)c1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCGKORVLRAISSE-CYFREDJKSA-N", "SMILES:CCOC(=O)c1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZYDCZLQQDIMX-JTSKRJEESA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cc(C(N)=O)nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGIJHYOQHFUWJH-MBSDFSHPSA-N", "SMILES:CNC(=O)c1cn(C[C@H](NC(=O)[C@@H](C)c2ccccc2)c2ccc(OCC3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJEFTVYPNMDZPG-CYFREDJKSA-N", "SMILES:C[C@H](C(=O)N[C@@H](Cn1cc(C(=O)N(C)C)nn1)c1ccc(OCC2CCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFKYLVWNOYDKGA-RLSLOFABSA-N", "SMILES:CCC[C@H](C)COc1ccc([C@H](Cn2cc(CO)nn2)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3403780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSJEYDKDNQYJW-RBENRJQXSA-N", "SMILES:CCCC(C)COc1ccc([C@H](CN)NC(=O)[C@@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFLJRMBLLRDHD-DEOSSOPVSA-N", "SMILES:C#CCNC(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccc3scnc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LECIOQVPQIKZAF-MHZLTWQESA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)Nc2ccc(N)cc2)c1)c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYYPSIHAUQXVSZ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBMJKXCYKUNTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPXAANIQSJWJB-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRAWFUODCVZXBE-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVJQSDLIPDBXQR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTCUVWNFYUDDX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPPBNDVJQJBEX-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSOFMEPTQQFQCC-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc([N+](=O)[O-])cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRSUDKNEORGSKJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDOQRYPYDPPNO-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYALRLGHNLJNMK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSBBKUEHNYDMJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFJSYBNXRDAES-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc(B(O)O)cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJHUFSJHUDXTK-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc(OCc4ccccc4)cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPXMOZZBQOZNB-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc(N4CCOCC4)cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLOIPCBLJYBYJP-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc(N4CCNCC4)cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFVPMPLYZAFFCS-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSUHQAIHROWQFB-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWTFYWHQPDJQLY-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUHXAJXFXCXEC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOLAAWVXVKATMU-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc(CN4CCN(C(=O)C5CC5)CC4)cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZGBPDLRLBQFEG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTBPBWJIVQWNSL-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc(CN4CCN(CCO)CC4)cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKHQGHNLFBLWLG-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc(CN4CCn5c(nnc5C(F)(F)F)C4)cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDMLVCNTHBRSV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKMCRDQIOYJJY-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc(CN4CCC(F)(F)CC4)cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMSAXUQLJUIFH-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc(CN4CCCC(F)(F)C4)cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOXJGCVNEDRYOD-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORXLIHVWCSCXBW-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFPAORNCWKWOE-UHFFFAOYSA-N", "SMILES:NC1CCCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VONMSJQAKXAFNE-UHFFFAOYSA-N", "SMILES:NC1CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFUYRRCRZRGPO-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTFGEDYXQPLIQX-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC1CCCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYKOIMZZEJVBFT-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC1CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOPYVMSQOJAFI-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3ccc(CN4CCN(c5ncccn5)CC4)cc3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUDAZVAENEODK-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(Cc3ccc(-c4[nH]c5cc(F)cc6c5c4CCNC6=O)cc3)CC2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPWHFMBBFUWVCM-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDYMBTDGAUXHIW-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCNHSVEEBADPV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYYJINHNTHKHSC-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3cccc(CN4CCN(C(=O)C5CC5)CC4)c3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVUNRPXMOZYDEJ-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(-c3cccc(CN4CCn5c(nnc5C(F)(F)F)C4)c3)[nH]c3cc(F)cc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSDRARXQBTGGF-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCYGXJZYXBDDZ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTIFGFJMHEGPX-UHFFFAOYSA-N", "SMILES:NC1CCCN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXYFOFBZPBUFN-UHFFFAOYSA-N", "SMILES:NC1CCN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWEMEDCQMXEHEV-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)OC(C)(C)C)CCN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNASDZPEIBLMLZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC1CCCN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVJASGBTMIIPW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC1CCN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGHZCVLJOTFIJ-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)CCN1C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQDNIBUCYXPDZ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPWZMEXSTNQKPH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLBCQRYDFNHSB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSAACBAYCKNIA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNQMMWCCJWFIBS-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(C(=O)N2CCOCC2)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHMJKHMMSGAJDV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(C(=O)NC2CCCCC2)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSKGVAIVXSQZFE-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(C(=O)NC2CCCCCC2)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTBZRKJGXCYVGL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(C(=O)NC2CCCCCCC2)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJEUHZFBWSIGCR-UHFFFAOYSA-N", "SMILES:O=C(CCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEYTYOOJRWZYPQ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINLVYRUBHWYKM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(C(=O)NC3C4CC5CC(C4)CC3C5)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFUFBXLRJCPLT-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1ccc(Cn2cc(C(=O)NC3C4CC5CC(C4)CC3C5)c3ccccc32)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWISWOLPVMBVAL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1c(C(=O)NC2C3CC4CC(C3)CC2C4)cc2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLACARWBNZHXPZ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1c(C(=O)NC2C3CC4CC(C3)CC2C4)cc2cc(Cl)ccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQPCCRDYCZYIBD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)cc(C(=O)NC1C3CC4CC(C3)CC1C4)n2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFZAXPQDFTGRJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1c(C(=O)NC2C3CC4CC(C3)CC2C4)cc2ccc(Br)cc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJSDBOFFPQBAC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1c(C(=O)NC2C3CC4CC(C3)CC2C4)nc2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJKNOBWYTIDZFS-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUWSMHYSNXQSGO-UHFFFAOYSA-N", "SMILES:O=C(NC1C2CC3CC(C2)CC1C3)c1cn(CCCCCCS)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIQSFUARUSBCR-UHFFFAOYSA-N", "SMILES:O=C(NC1C2CC3CC(C2)CC1C3)c1cn(CCCCCCCS)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYLHCIVVKAGVFH-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3cccc(NC(=O)Cc4ccccc4Br)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZIZZJRGVGTFIZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQOYTKAIRLFTTF-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3cccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXJHDIJHMDGIW-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3cccc(NC(=O)Cc4ccc5c(c4)OCO5)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEFZXDFBHWIZGH-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3cccc(NC(=O)Cc4cccc(Cl)c4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSNJBWVXABYLZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3cccc(NC(=O)Cc4cccc(C(F)(F)F)c4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUIOMEOACYYVAP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXIMOFPJOQQJR-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCLLHENMFADLOB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTPLBUCUUFLXRD-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Br)Nc1cccc(-c2nc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEZROHHBEUIFJC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVTRXXDQJPKOTE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Cl)Nc1cccc(-c2nc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWWIYXJHMPRSM-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(Br)c1)Nc1cccc(-c2nc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHYXQPKVQRROIY-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2c(c1)OCO2)Nc1cccc(-c2nc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZQJMBHLGZSIX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Br)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRELUQADXZDMOV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKKGAKWGDAOIX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Cl)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHPKQUGRNNRTF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGFNDXQYGPDIDW-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2c(c1)OCO2)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPRSEWRZAJVJK-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(Cl)c1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLZCXSYCBYCXRM-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)Nc2cc(C)cc(-c3nc4cc(Cl)ccc4o3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEWETGPACPBIE-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSXMFHOQFQSKG-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENLRVZOGLOLOC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cccc(-c2nc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLIAAVQEQQWAPV-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBIFTJSRKVTSQ-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNAQNUFNOJUFU-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cccc(-c2nc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWKQDVHPPJXAHK-UHFFFAOYSA-N", "SMILES:COc1ccccc1CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJZDEHOTGHZFR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMERPGYXCPRDKN-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGRNWVSQKCHDU-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVVFJIUJNGDJFV-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWVOWGZNVKKKN-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLPDIZONSOLHNB-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKMOVXANPSFTC-UHFFFAOYSA-N", "SMILES:COc1ccccc1CC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOJYXMYJCLNDQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSXWPFOFUBULW-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMPDYKFLEXHZEZ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTDQYLZZMJRMEF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQSWWIWSLRLJEW-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBZMHJDVXWYUFY-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccs1)Nc1ccc(-c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYZCFJJSUDPOG-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(CC(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYBMXHJHVFDJCO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIRFIRTJXTTJT-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGWJZXEDNHKQS-AATRIKPKSA-N", "SMILES:O=C(O)/C=C/C(=O)NNC(=O)c1cnccc1Nc1cc(Cl)c(Nc2ccccc2[N+](=O)[O-])c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIJIAAXHNOJKMP-VOTSOKGWSA-N", "SMILES:Cc1c(Nc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O)cc(Cl)c(Nc2ccccc2[N+](=O)[O-])c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQFTVWCICJGMS-VOTSOKGWSA-N", "SMILES:O=C(O)/C=C/C(=O)NNC(=O)c1cnccc1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KANZFCDYSFKPFW-CMDGGOBGSA-N", "SMILES:CCOC(=O)/C=C/C(=O)NNC(=O)c1cnccc1Nc1cc(Cl)c(Nc2ccccc2[N+](=O)[O-])c(Cl)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGYDQBPBFCFPP-IBGZPJMESA-N", "SMILES:Cc1nc([C@H](CNC2CCC2)NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)sc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCGYPAUBMXRDJQ-OAHLLOKOSA-N", "SMILES:NC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)c(F)c2)[nH]1)c1ncc(CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGUFSUZRVPWQZ-MRXNPFEDSA-N", "SMILES:Cc1ccc(-c2ccc(C(=O)N[C@H](CN)c3ncc(CO)s3)[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZESHJBVXSZFHI-OAHLLOKOSA-N", "SMILES:Cc1nc([C@@H](CN)NC(=O)c2ccc(-c3ccc(F)c(F)c3)[nH]2)sc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOUIZRAPWQCSE-HNNXBMFYSA-N", "SMILES:Cc1nc([C@H](CN)NC(=O)c2ccc(-c3ccc(Cl)c(F)c3)[nH]2)sc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXKVUMFJJEHMH-AWEZNQCLSA-N", "SMILES:NC[C@H](NC(=O)c1ccc(-c2cc(F)c(Cl)c(F)c2)[nH]1)c1ncc(CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMWAMYWJWGYZEG-HNNXBMFYSA-N", "SMILES:NC[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)[nH]1)c1nc(CO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILBXEUAJZPBIW-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2ccc(C(F)(F)F)cn2)[nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKTZOOMGVTZBGC-AWEZNQCLSA-N", "SMILES:NC[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1nc(CO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDDQFKMUJIWWFR-CQSZACIVSA-N", "SMILES:Cc1cc(-c2ccc(C(F)(F)F)cn2)[nH]c1C(=O)N[C@H](CN)c1nc(CO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YADMFLNYSFTBEU-UHFFFAOYSA-N", "SMILES:Cc1sc(C(CO)NC(=O)c2[nH]c(-c3ccc4c(c3)OCO4)cc2CN)nc1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHZJNYCPWSQVKR-UHFFFAOYSA-N", "SMILES:NCc1cc(-c2ccc3c(c2)OCO3)[nH]c1C(=O)NC(CO)c1nc(S)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWZYTAPMCRIBZ-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccc3c(c2)OCO3)[nH]c1C(=O)NCc1nc(S)c(CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQBHTMKZRMQJH-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMVBKPRIPTDQQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFAWUGNNKWJJOU-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYYPWQXGNKUDD-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYOSGTAOCVADAY-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2cc(C)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRAZCFZNCBREA-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPMVMBQADLENPO-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2cccc(OP(=O)(O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPRAMQBRQOODHW-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2cccc(F)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRBAKDKCBMOLDC-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2cc(F)cc(F)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGXPKENGJLCDRE-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJVUTHFABRAQK-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHRZVBXMNDQKQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2cccc(O)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLFQLNKVJENRB-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2cccc(OC)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZYFDADMQHUIES-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2c(O)cccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGYBQYWOVGDTP-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(C(=O)Nc2cccc(Cl)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSOGMRXQFVIMQK-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CNc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXVMOOSDRHTOI-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CNc2cc(C)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZRKKYIQJGZHD-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CCNc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQTWWBVFQSGJEM-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CNc2cccc(F)c2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASZGKBGFKZHSI-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2ccc(F)c(F)c2)c2cc(-c3nc(CN4CCN(CCO)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJSGHVIXMMZGGE-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2ccccc2)c2cc(-c3nc(CN4CCN(CCO)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTIQYEUSJHKBGN-FQEVSTJZSA-N", "SMILES:CCn1cc(NC(=O)OCc2cccc(Cl)c2Cl)c2cc(-c3nc(CN4CCC[C@H]4CO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWAWVSPPYJMUDQ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2cc(Cl)cc(Cl)c2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMIRKNHZAPAFEZ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2ccc(F)c(F)c2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJBXHDVXWKLFO-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2cccc(Cl)c2Cl)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHUQZLQACVULKM-GOSISDBHSA-N", "SMILES:CCn1cc(NC(=O)O[C@H](C)c2ccccc2Cl)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPDJDPHEBSSJC-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2ccc3c(c2)OCO3)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWALIAXQDGLQNJ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2cc(Cl)cc(Cl)c2)c2cc(-c3nc(CN4CCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXQUMKWNXQNAM-HXUWFJFHSA-N", "SMILES:CCn1cc(NC(=O)O[C@H](C)c2ccc(C)cc2)c2cc(-c3nc(CN4CCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTVZBBDNQWJASD-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2ccc(F)c(F)c2)c2cc(-c3nc(CN4CCCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFIFJCSEIYWNL-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2cc(Cl)cc(Cl)c2)c2cc(-c3nc(CN4CCC(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQYNZJFFAXKIM-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2cc(Cl)cc(Cl)c2)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSMLYYSUVWYXDZ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)OCc2ccccc2)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVCXEJGJCMMHT-LJQANCHMSA-N", "SMILES:CCn1cc(NC(=O)O[C@H](C)c2ccccc2Cl)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGUMQMXZXXRGY-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccccc2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAXIPEVUSDTOLP-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTJPENPDMKVLQ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccccc2)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISEQFIBPFVVYMF-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(-c3nc(CN4CCN(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYWUPLYVJJVWIB-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccccc2)c2cc(-c3nc(CN4CCC(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNZSMDCUPSYNR-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(-c3nc(CN4CCC(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZABTNKNXRQLI-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2cc(-c3nc(CN4CCC(C)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZJWRPJJZOHFGT-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLLLULIXEPKCDW-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(OC)c(Cl)c2)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYIBSZHBTNFZPQ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(-c3nc(CN4CCN(CCO)CC4)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFGUCAUYPNXMNU-QFIPXVFZSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccccc2)c2cc(-c3nc(CN4CCC[C@H]4CO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGHEJFSWSTRTH-QFIPXVFZSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(-c3nc(CN4CCC[C@H]4CO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRXIJAZPBMXWPT-NRFANRHFSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(OC)c(Cl)c2)c2cc(-c3nc(CN4CCC[C@H]4CO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSERBMOWEPPECM-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2cc(-c3nc(CN(CCO)CCO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRQIPXYZCQXAH-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)NCc2ccc(OC)c(Cl)c2)c2cc(-c3nc(CN(CCO)CCO)cs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFDWHHUUUMRLK-UVTDQMKNSA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)NC2=O)cc1C#C[Si](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZXLTUTILAGIU-RGEXLXHISA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)NC2=O)cc1C#C[Si](C)(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJFBLDLNIQFERR-MOHJPFBDSA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)NC2=O)cc1C#C[Si](C)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKMFCQXTDNKDES-IADYIPOJSA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)NC2=O)cc1C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRMRDVMDXPMVMP-SILNSSARSA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)NC2=O)cc1C#C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFXGQWYMAPLRNO-VBKFSLOCSA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)NC2=O)cc1C#C[Si](C)(C)[Si](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHOOUVRIWLCAEI-LGMDPLHJSA-N", "SMILES:CC[Si](C#Cc1cc(/C=C2\\SC(=S)NC2=O)ccc1OC)(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMDMSKOHJKXCFH-VBKFSLOCSA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)NC2=O)cc1C#C[Si](C)(C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKUGLSUKBANEN-MOSHPQCFSA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)NC2=O)cc1C#C[Si](C(C)C)(C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLHXTUCOFJOMCR-POHAHGRESA-N", "SMILES:CCOc1cc(/C=C2\\SC(=S)NC2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMKZOSESQVNAA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHYDNPBESMLDTF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGBKQYWTWJTWQN-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1F)Nc1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFUOHDUVWPJTIF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1F)Nc1ccn(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGXHJXCBVCTDK-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccn(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZFXKNWGSBUBO-CQSZACIVSA-N", "SMILES:C[C@@H](C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZFXKNWGSBUBO-AWEZNQCLSA-N", "SMILES:C[C@H](C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTVWAJIFXAOEX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNWHFJTPNZDHE-QGZVFWFLSA-N", "SMILES:CC[C@@H](C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKSPJPXWGMPCK-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNMRNGCCQURBSY-UHFFFAOYSA-N", "SMILES:CC1(C)CC1(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTHRPAUWMGWLEQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccccc2)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUHUITFYDWPDMH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccccc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYCIUDILOBGQMN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXZPQVXRXXCIS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2ccncc2)n1)C1(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTVKKBLQZTIHL-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLDNUYTWSCBFW-UHFFFAOYSA-N", "SMILES:COc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWXYIILXDSVAFJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2ccncn2)n1)C1(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNBLZFQMHUNAG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBQCAFIVMPZNI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2ccc(F)nc2)n1)C1(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCFJBQXRKJQAKI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2ncns2)n1)C1(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVVGJUNHTXTGR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHVLYQPOUMEORO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMXQGMWSIPYGR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1(C(=O)Nc2ccn(-c3cncc(F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAQTKIWDJPYPW-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1C1(C(=O)Nc2ccn(-c3cncc(F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWADIHXXSUTCSA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUIADLQEUOOQW-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(C(=O)Nc3ccn(-c4cncc(F)c4)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMQJBAKQDBNBY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C2(C(=O)Nc3ccn(-c4cncc(F)c4)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVXNTIPFFSDSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIJAGVVUINZQIV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYPRBAVEWVOKQH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(C(=O)Nc3ccn(-c4cncc(F)c4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORIHHKUEFAUFT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2(C(=O)Nc3ccn(-c4cncc(F)c4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRAPSBFDPCDWGT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2c(F)cccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYKUWFIKQOOPI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2cccc(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBTHJRJSPHYWQU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2cc(F)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLSWUJMLWKBEZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccncc2)cs1)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVGPTZAAUCTJS-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1F)Nc1nc(-c2ccnc(F)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1569357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSBIKBRHAGHHC-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)C1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTMNZNHZKMLCFF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1F)Nc1cnn(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITTUMHLWRANNNK-UHFFFAOYSA-N", "SMILES:CN(C)C(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTYLTKYBNGOBJ-UHFFFAOYSA-N", "SMILES:Nc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccn1"]}
{"name": "Very long chain fatty acid elongase 7", "xref": ["CHEMBL.TARGET:CHEMBL5169094"], "id": "UniProtKB:A1L3X0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOHIRBRYDXPAMZ-YHBROIRLSA-N", "SMILES:O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL165790", "category": ["biolink:ChemicalEntity"], "name": "IPRIFLAVONE", "xref": ["InChIKey:SFBODOKJTYAUCM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1"], "synonym": ["Ipriflavone", "Ipriflavone", "Ipriflavona", "7-isopropoxyisoflavone", "Osten", "Ostivone", "NSC-755888"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL482581", "category": ["biolink:ChemicalEntity"], "name": "ESCULIN", "xref": ["InChIKey:XHCADAYNFIFUHF-TVKJYDDYSA-N", "SMILES:O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL8747", "category": ["biolink:ChemicalEntity"], "name": "REV-5901", "xref": ["InChIKey:JRLOEMCOOZSCQP-UHFFFAOYSA-N", "SMILES:CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1"], "synonym": ["REV-901"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5205127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCRZMWXUVZZDM-ISYDNLPHSA-N", "SMILES:CC(C)(C)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJIMBEIWORBBOQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWMYNNIXCXDPLN-UHFFFAOYSA-N", "SMILES:OCc1ccc(OCc2ccc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKCQRGAPBDVIZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARMNDXIOAHJMF-UHFFFAOYSA-N", "SMILES:OCc1cccc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJTITQLHFRUEQF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVSKPXDTFLBRV-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(O)cc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGKZTNKQVGZMH-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTMOYXHRFDECNL-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGUZTWXBHOBQK-UHFFFAOYSA-N", "SMILES:CCC(C)Oc1cccc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSLXVCOWXYOCJ-UHFFFAOYSA-N", "SMILES:OCc1cc(O)cc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBDSCBZDTZHXHG-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVBVGWILMIBBX-UHFFFAOYSA-N", "SMILES:CCC(C)COc1cccc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEFRHXXDVWPIIU-UHFFFAOYSA-N", "SMILES:CCCCCOc1cccc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNJZADJXPQFKOE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2ccc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZKXAZWSFCTSTG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)cc(OCc2ccc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNVDXQDILPJIG-NXOLIXFESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5176777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJPLTYXLDOXWCG-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFLWQQILOOFSLC-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJSUYWRDMPXGDV-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLIVLEQYIROAQM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTOZXIOBQJXFLG-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKTWJHONXFKUJM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSYLJMXLXOALSO-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1Cc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFBMAPZTSIWVMP-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1Cc1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXWMELCKZLSSC-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BODJBGDFPPKEJW-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nnc(-c3ncnc4[nH]ccc34)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALAVORBXDHYIMC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nnc(-c3ncnc4[nH]ccc34)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMAKJAWJXBXBR-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1CCc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZVWMTNWHOLNBS-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ncnc3[nH]ccc23)nnn1CCCc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLMANFTWLNAKC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3cccc(O)c3)cnc2N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLLLMFWYGCMDDN-YMEAHLQLSA-N", "SMILES:C[C@@H]1CCCN1Cc1ccc(-c2cnc(N)c3c2CCN(C2CCC(C)(O)CC2)C3=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSOXYHHFXDNEU-IDYZSHNDSA-N", "SMILES:CC1CCC(N2CCc3c(-c4ccc(CN5CCC[C@H]5C)c(F)c4)cnc(N)c3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIGLCSOIUAUGES-PBPGXSGUSA-N", "SMILES:C[C@@H]1CCCN1Cc1ccc(-c2cnc(N)c3c2CCN(C2CCC(O)CC2)C3=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUACWTBEXKUOOV-FGEFDJCDSA-N", "SMILES:C[C@@H]1CCCN1Cc1ccc(-c2cnc(N)c3c2CCN(C2CCC(C)(O)CC2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCQZDADSCVUOD-QGZVFWFLSA-N", "SMILES:C[C@@H]1CCCN1Cc1ccc(-c2cnc(N)c3c2CCN(C2CCCCC2)C3=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPRFLHHDQOLCJS-GSVIPDFHSA-N", "SMILES:CC1CCC(N2CCc3c(-c4ccc(CN5CCC[C@H]5C)cc4)cnc(N)c3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVCGHNKICTUFJ-MDMXATFFSA-N", "SMILES:C[C@@H]1CCCN1Cc1ccc(-c2cnc(N)c3c2CCN(C2CCC(O)CC2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMMLJZCTRMSMMI-GOSISDBHSA-N", "SMILES:C[C@@H]1CCCN1Cc1ccc(-c2cnc(N)c3c2CCN(C2CCCCC2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGNJQNQCKFAFD-MRXNPFEDSA-N", "SMILES:C[C@@H]1CCCN1Cc1ccc(-c2cnc(N)c3c2CN(C2CCCCC2)C3=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUAQDQOVNQEOAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(N)c3c2CCN(C2CCCCC2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMIOTOCLTHRZTC-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cnc(N)c3c2CCN(C2CCCCC2)C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIUMBIWMXBUHDW-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cnc(N)c3c2CCN(C2CCCCC2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMYXIDFXOAJPL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc(N)c3c2CCN(C2CCCCC2)C3=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRIVDECCESIDAQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2cnc(N)c3c2CCN(C2CCCCC2)C3=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZYYJEYQNNJBMD-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCCC3)c2)c2c1C(=O)N(C1CCCCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLCGNSTBZOGIQ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3COC3)c2)c2c1C(=O)N(C1CCCCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDYMCSKANXEKMK-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(CC3CCCNC3)c2)c2c1C(=O)N(C1CCCCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMQASFZVQEKHR-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(CC3CCNCC3)c2)c2c1C(=O)N(C1CCCCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYOZULVMVWDFQ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCCNC3)c2)c2c1C(=O)N(C1CCCCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUGKWSLUPDXHDO-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)c2c1C(=O)N(C1CCCCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJSYQJFCHPTVCI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(n2cc(-c3cnc(N)c4c3CCN(C3CCCCC3)C4=O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJRCHNXNYNADRQ-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(-c3cnc(N)c4c3CCN(C3CCCCC3)C4=O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNCBGNHYCLQCSA-UHFFFAOYSA-N", "SMILES:CC1(O)CCC(N2CCc3c(-c4cnn(C5CCNCC5)c4)cnc(N)c3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNLCMQIUFLQBS-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)c2c1C(=O)N(C1C3CC4CC(C3)CC1C4)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFVXBJUPYVFQRG-UHFFFAOYSA-N", "SMILES:CN1CCc2c(-c3cnn(C4CCNCC4)c3)cnc(N)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRSWMLKHCENGN-UHFFFAOYSA-N", "SMILES:CC(C)N1CCc2c(-c3cnn(C4CCNCC4)c3)cnc(N)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZZVPFINNIFIF-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)c2c1C(=O)N(C1CCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRKWSDOLROTYLX-KQUPGTECSA-N", "SMILES:C[C@@H]1CCCN1Cc1ccc(-c2cnc(N)c(C(=O)N[C@H]3CC[C@](C)(O)CC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COAPRSZXUXRWHA-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cnc(N)c2c1CCN(C1CCCCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVCHETWFSHFZKO-IBGZPJMESA-N", "SMILES:Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVCHETWFSHFZKO-LJQANCHMSA-N", "SMILES:Fc1ccc(Cl)c(-c2ccc(NC[C@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORLOFDPLORONC-SFHVURJKSA-N", "SMILES:Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCTKPIIYTLCURX-NRFANRHFSA-N", "SMILES:c1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVDAQRWAWRQOW-IBGZPJMESA-N", "SMILES:Fc1ccccc1-c1ccc(NC[C@@H]2CC23CCN(CC2CCOCC2)CC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZRWXWJXUJZNCY-FQEVSTJZSA-N", "SMILES:Fc1cccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPRZCYUUMZMHO-FQEVSTJZSA-N", "SMILES:Fc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBCCRRRODXGDA-SFHVURJKSA-N", "SMILES:Fc1ccc(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMYNVCNISSHTN-KRWDZBQOSA-N", "SMILES:Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMYNVCNISSHTN-AZIOYXGJSA-N", "SMILES:[2H]C([2H])(C1CCOCC1)N1CCC2(CC1)C[C@H]2CNc1ccc(-c2cc(F)cc(F)c2F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQZKTVUTROSHLA-QFIPXVFZSA-N", "SMILES:Cn1cc2cc(-c3ccc(NC[C@@H]4CC45CCN(CC4CCOCC4)CC5)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJBOKSMUUIGCK-QFIPXVFZSA-N", "SMILES:CC(=O)Nc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKHOTMVHFYJIAH-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cl)c(-c2ccc(NCC3CC4(CCN(CC5CCOCC5)CC4)C3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADMPICHNNHZPIC-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cl)c(-c2ccc(NC3CC4(C3)CN(CC3CCOCC3)C4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVCHETWFSHFZKO-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cl)c(-c2ccc(NCC3CC34CCN(CC3CCCCC3)CC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMRBCNORJDLCW-IBGZPJMESA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYYZTCFGRCEBL-IBGZPJMESA-N", "SMILES:CC1(C)C(=N)N[C@](C)(c2nc(NC(=O)c3ccc(C#N)cn3)ccc2F)CS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJPZDFVKYYYNV-OALUTQOASA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJPZDFVKYYYNV-RBUKOAKNSA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)[C@](C)(CF)C(=N)N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJXPRAOJWHLBN-OALUTQOASA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJXPRAOJWHLBN-RBUKOAKNSA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNWNOQLLBKOHTC-OALUTQOASA-N", "SMILES:C[C@]1(CF)C(=N)N[C@](C)(c2nc(NC(=O)c3ccc(C#N)cn3)ccc2F)CS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNWNOQLLBKOHTC-RBUKOAKNSA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ccc(C#N)cn3)ccc2F)CS(=O)(=O)[C@](C)(CF)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTJCZTUJQZPFNJ-OALUTQOASA-N", "SMILES:C[C@@]1(c2nc(NC(=O)c3ccc(C#N)cn3)ccc2F)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTJCZTUJQZPFNJ-RBUKOAKNSA-N", "SMILES:C[C@@]1(C(F)F)C(=N)N[C@](C)(c2nc(NC(=O)c3ccc(C#N)cn3)ccc2F)CS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVXNEFHLKIHME-PMACEKPBSA-N", "SMILES:Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVXNEFHLKIHME-VQTJNVASSA-N", "SMILES:Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)[C@](C)(CF)C(=N)N2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBMTMOXRFICLO-PMACEKPBSA-N", "SMILES:Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBMTMOXRFICLO-VQTJNVASSA-N", "SMILES:Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUUCJSZUWVXLT-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(OS(=O)(=O)O)cc5)oc34)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCSZYZCEEFKDOE-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(OS(=O)(=O)O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRIBXKAMPDYRW-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(OS(=O)(=O)O)cc5)oc34)c2)oc2cc(OS(=O)(=O)O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPBHAAYNPPRRA-AUSIDOKSSA-N", "SMILES:CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRPLNQJNRBRNY-WYYADCIBSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXFNBIPWUYEIM-WXFUMESZSA-N", "SMILES:CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13"]}
{"name": "Mas-related G-protein coupled receptor member B2", "xref": ["CHEMBL.TARGET:CHEMBL5169153"], "id": "UniProtKB:Q3KNA1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGHRRVFKSLEJT-WVBUVRCRSA-N", "SMILES:COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKZBREHTLLHYNB-VQCQRNETSA-N", "SMILES:COc1ccc2ncc(F)c(C(O)CCN3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMRGAIDONMILDD-JOCHJYFZSA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYJNWLSAZAWII-WYAMSBGYSA-N", "SMILES:COc1ccc2ncc(F)c(/C=C/CN3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYJNWLSAZAWII-YYMZATOTSA-N", "SMILES:COc1ccc2ncc(F)c(/C=C\\CN3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVTFDVCDEYDKOF-JOCHJYFZSA-N", "SMILES:COc1ccc2ncc(F)c(C#CCN3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMRGAIDONMILDD-QFIPXVFZSA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZMUPVDZMXQAH-JOCHJYFZSA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)[C@@H](C(=O)O)C3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCTXSIYQDRJNHM-JOCHJYFZSA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(N)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOHJSWALDXOKIW-HSZRJFAPSA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(=O)NC(=O)CC(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXNBSZOVPKMSP-HSZRJFAPSA-N", "SMILES:COC(=O)[C@H]1CN(CCSc2cccs2)CCN1CCCc1c(F)cnc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXNBSZOVPKMSP-QHCPKHFHSA-N", "SMILES:COC(=O)[C@@H]1CN(CCSc2cccs2)CCN1CCCc1c(F)cnc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWSHCMNGNALZOS-AREMUKBSSA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(CCCc4ccccc4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUWCOMLTLLKMO-AWQUAADZSA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(C/C=C/c4ccccc4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFLXJGFQBSXPV-XMMPIXPASA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(Cc4ccccc4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNAUIRAHNMVVSZ-RUZDIDTESA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(CCc4ccccc4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSJGLPVZTDCYHQ-HHHXNRCGSA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(CCCCc4ccccc4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRPJXYQDVWQARU-OAQYLSRUSA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(C(=O)CSc4cccs4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCLJXUSOVKEJPY-XMMPIXPASA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(C(=O)CSc4ccccc4)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSZBMPRNHMAKY-VJZHMDQISA-N", "SMILES:COc1ccc2ncc(F)c(CCCN3CCN(C/C=C/c4cc(F)ccc4F)C[C@@H]3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHSHYKMYJNPZIF-YGQHCPHOSA-N", "SMILES:CC(C)=CC[C@@H](OC(=O)CCC[C@H]1[C@@H]2CCCN3CCC[C@H](CN1Cc1ccccc1Br)[C@H]23)C1=CC(=O)c2c(O)ccc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMAQJGNSLPYBKH-QLBJFCOMSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c1N[C@H](c1ccccc1)[C@@H]1Cc3ccccc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARZIWKOXGCIOHD-CRXYYGHGSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1Cc3ccccc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJYDGIHEFJCQPC-QLBJFCOMSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1Cc3ccccc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPVKXJPOPRDGNQ-NQHRYMMQSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c1N[C@H](c1ccc(F)cc1F)[C@@H]1Cc3ccccc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSAAOUAXHERGP-QLBJFCOMSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1Cc3ccccc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INRAISUNIVYTST-NQHRYMMQSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1Cc3ccccc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXECSPOYXUNZLS-DNRSQYFGSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c1N[C@H](c1ccccc1OC)[C@@H]1Cc3ccccc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOMFMZBAETZSLE-LGPLSSKUSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c1N[C@H](c1cccc(OC)c1)[C@@H]1Cc3ccccc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGUNXZXXQDWPS-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c3c(c(-c4ccccc4)nc12)Cc1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLWCEGBNNNEFZ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c3c(c(-c4ccc(F)cc4)nc12)Cc1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAWJBBJITLHUFB-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c3c(c(-c4cccc(OC)c4)nc12)Cc1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRFINFJJFNTXKU-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c3c(c(-c4ccc5ccccc5c4)nc12)C(=O)c1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSAQJBZCOGOKJG-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c3c(c(-c4cccc5ccccc45)nc12)C(=O)c1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDXLXDLXJZGAK-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c3c(c(-c4ccc(F)cc4)nc12)C(=O)c1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMINDSYLVLEAJ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c3c(c(-c4ccc(F)cc4F)nc12)C(=O)c1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQMLBPNODJKWFW-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2c3c(c(-c4ccc([N+](=O)[O-])cc4)nc12)C(=O)c1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKWIFYLTVBJDD-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nnc(-c3ccccc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMRKZTRRBCSTDD-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(-c3c[nH]c4ccccc34)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLHHLUMDQDZDV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFUONJWGAJUDC-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBOINMDJWGGAHF-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVUXVYGFQYSNB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZVHADBOZDFZGE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSDOBICTXBYJRN-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDIMHHEPQMLCL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWDZDJNVUFTTE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APIPFXZYOMIJQG-UHFFFAOYSA-N", "SMILES:O=c1c2cccc(O)c2oc2cccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5192793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LECSSHUYKZKQDD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)cc(-c3ccc(OC)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTTAVDAEVCLLLX-UHFFFAOYSA-N", "SMILES:CCc1ccc(C2=C(O)C(=O)C(c3ccc(CC)cc3)=C(O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSLMQLVFYXGOW-UYAOXDASSA-N", "SMILES:COc1cccc2c1C(=O)C1=C(C2=O)c2c(O)cc(CO)cc2[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5191293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEKFXZQIOKLMMA-IOKAECDZSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CCC4[C@@H](C2)N(CC2CC2)CC[C@@]341"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFYEKYVNYUULA-GOUPZVJSSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CC=C4[C@@H](C2)N(CC2CC2)CC[C@]431"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGJPRXHBFMPLD-KMMHDYCCSA-N", "SMILES:CN(C(=O)/C=C/c1ccoc1)[C@@H]1CCC2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGZNFKCKBWPCU-HEOWUMRYSA-N", "SMILES:CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267495", "category": ["biolink:ChemicalEntity"], "name": "NALFURAFINE", "xref": ["InChIKey:XGZZHZMWIXFATA-UEZBDDGYSA-N", "SMILES:CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"], "synonym": ["Nalfurafine", "Nalfurafine", "Nalfurafina", "Nalfurafine", "Nalfurafine", "MT-9938"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5181937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDAZOGZAFZJKU-VJDACXOJSA-N", "SMILES:CN(C(=O)/C=C/c1ccoc1)[C@@H]1CCC2[C@H]3Cc4ccc(O)c5c4[C@@]2(CN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDHGHAQWQSSPB-SJSMWEHQSA-N", "SMILES:CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVTRKFVDAVLBQZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(O)CN(C)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDHVUCQJMQPDI-FPTDNZKUSA-N", "SMILES:CC[C@H](C)[C@H](NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDHVUCQJMQPDI-RCDICMHDSA-N", "SMILES:CC[C@H](C)[C@@H](NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIRVLZMBCYJZSY-AWEZNQCLSA-N", "SMILES:COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CN[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLDWHMGTXNHQU-INIZCTEOSA-N", "SMILES:COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CN(C(C)=O)[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEXHIKACNJITSS-AWEZNQCLSA-N", "SMILES:COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CN[C@@H](CS(=O)(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNVMFFYCCXTAU-INIZCTEOSA-N", "SMILES:COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CN[C@@H](CCSC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSJASBYSXYSQFE-INIZCTEOSA-N", "SMILES:COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CNC(=N)NCCC[C@H](N[N+](=O)[O-])C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBIYMZKDFZCPB-INIZCTEOSA-N", "SMILES:COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CN1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSBTTNUNYDBEU-KRWDZBQOSA-N", "SMILES:COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CN[C@@H](Cc1c[nH]cn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJXPAFUFNWABLT-QFIPXVFZSA-N", "SMILES:COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXPTHLYVNFHMV-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN(C)CC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLLUUKUFXGMDU-FYSMJZIKSA-N", "SMILES:CCOC(=O)[C@@H](NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLLUUKUFXGMDU-UPCLLVRISA-N", "SMILES:CCOC(=O)[C@H](NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDWOAJAWFKQRU-INIZCTEOSA-N", "SMILES:CCOC(=O)[C@H](CS)NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFXJBASANHUCQJ-SFHVURJKSA-N", "SMILES:CCOC(=O)[C@H](CS)N(CC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANRIJKSHBWARM-INIZCTEOSA-N", "SMILES:CCOC(=O)[C@H](CS(=O)(=O)O)NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGUAWKSHWPOECC-SFHVURJKSA-N", "SMILES:CCOC(=O)[C@H](CCSC)NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCAXFAMRXPWOQG-SFHVURJKSA-N", "SMILES:CCOC(=O)[C@H](CCCNC(=N)NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC)N[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUMVIVDTGQWDNG-SFHVURJKSA-N", "SMILES:CCOC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSMZDSKHXZIRMO-IBGZPJMESA-N", "SMILES:CCOC(=O)[C@H](Cc1c[nH]cn1)NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OESLVPZARHNUSJ-DEOSSOPVSA-N", "SMILES:CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUASABZOFHVKPN-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)N(C)c2cccc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWAXEEBSTWFJEU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N(C)c2cccc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMGRPVSNOOTPE-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2cccc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIDQVIXFFODAGI-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2c(C)ccc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWYZJAXNKVNHOZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)N(C)c2c(C)ccc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQCFGKZXZPCTC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2cccc(NC(=O)c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFWUBSRJLRTEK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2cccc(N(C)C(=O)c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHIOMMKSMSRLY-UHFFFAOYSA-N", "SMILES:Nc1cccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQCWHHHQWVAGC-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUIZRDJCBVPASY-UHFFFAOYSA-N", "SMILES:CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDRXXGMJEJFONZ-UHFFFAOYSA-N", "SMILES:NC(=S)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWAEFSEWWHXPN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(C(=O)OCCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHAPRJBOWKJZEK-UHFFFAOYSA-N", "SMILES:NC(=S)c1ccc(C(=O)OCCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSKNVLLQXLXOI-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(C(=O)OC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCCIZYTFHFNAC-UHFFFAOYSA-N", "SMILES:NC(=S)c1ccc(C(=O)OC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDSHDUROJZOKV-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWUYNOAVKINCT-UHFFFAOYSA-N", "SMILES:NC(=S)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDRNTIORVNLELJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSWYKZXSSNJEA-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(N(C)C)ccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTVFZRPRTQTPHI-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYBCDBQKWMDOQ-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSAAHBYBUISFJ-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(N(C)C)ccc2O)ccc1=O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKAGYWXAZQBUBA-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(N(C)C)ccc2O)ccc1=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCPQLVPLPQULB-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(OC)ccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNJAZXJXBGGURX-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(NC(C)=O)ccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACIBBJLXURJPAB-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(NC(C)=O)ccc2O)ccc1=O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBABNAZNFADJE-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cccc(N(C)C)c2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXELBJDVMANNOW-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccc(N(C)C)cc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHASXVAJNFBHEH-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCCCn1nc(-c2cc(N(C)C)ccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQPOBVRESNKBA-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCCCn1nc(-c2cc(NC(C)=O)ccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVTRWMRIHNGCQV-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCOc1ccc(-c2cc(N(C)C)ccc2O)nn1)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEFJBHGOFPCICQ-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCOc1ccc(-c2cc(N(C)C)ccc2O)nn1)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQELSKUXFFZROG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCCCn1nc(-c2ccccc2O)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWLLINBIKWHDY-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccccc2O)nn1CCCCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXUAUIAIYMIAGO-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccccc2O)nn1CCCCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILKRSPVUNILDL-UHFFFAOYSA-N", "SMILES:CN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSOXEICFNSPLB-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPMIKKBUBBPJC-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN(C)CCCCCCn1nc(-c2ccccc2O)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFWUDFIMMOFWOG-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTMCMBCNPPCAIO-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYWRDOWMLTFLX-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMLCVZRADGYCEC-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJJIUFAHMNFCQS-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACKYZRJPNUWLOT-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXOFXKOTPVEAI-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccccc2O)ccc1=O)Cc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYKFSSMXCDMSPK-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2ccccc2O)nn1CCCCCCN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKHSJMSGUFIOAO-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCOc1ccc(-c2ccccc2O)nn1)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNGJGCPBURZSD-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCOc1ccc(-c2ccccc2O)nn1)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWYVHUMZUHLENS-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(OC)ccc2O)ccc1=O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVLIUJFMGCZFF-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(OC)ccc2O)ccc1=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUODPXIRRTZBLM-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(NC(C)=O)ccc2O)ccc1=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALVKYMISBIMZGR-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(C)ccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKJXUNPCVAXNBW-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(C)ccc2O)ccc1=O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBWKDFWXIROZHB-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(C)ccc2O)ccc1=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQUOKADRYYQILG-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(Br)ccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTDUYUODYHXPAH-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(Br)ccc2O)ccc1=O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKXNYQBOXWUOKK-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(Br)ccc2O)ccc1=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZLCHMFDQPITP-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(Cl)ccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCZWSISYLFDON-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(Cl)ccc2O)ccc1=O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHQOWWZVAISNE-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(Cl)ccc2O)ccc1=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRYEPFIDRQUCV-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(F)ccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFMTXWDGXQHQEP-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(F)ccc2O)ccc1=O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYUZSVKGJTWLP-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc(F)ccc2O)ccc1=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHCLZVRKIONRHI-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc([N+](=O)[O-])ccc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTCTVVIGOYJSW-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc([N+](=O)[O-])ccc2O)ccc1=O)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXQHNBQBRMVCB-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2cc([N+](=O)[O-])ccc2O)ccc1=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIGHUNZKVOYJC-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccc(OC)cc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDGWAGIYLWJMS-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCn1nc(-c2ccc(F)cc2O)ccc1=O)Cc1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNDVASWIHEXCL-AWEZNQCLSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4C)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFENWGFHJZHHEX-IWCCXLCRSA-N", "SMILES:C[C@@H]1CC[C@@]2(C)C3=C(CC[C@@H]2[C@@]1(C)C[C@H](O)C1=CC(=O)OC1O)OC1(CC3)C(=O)CC[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3O)[C@H](C)CC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMCLYIETVESCZ-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(OC(=O)Cc2c[nH]c3ccccc23)ccc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVIYMUIXPOPBKQ-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(OC(=O)Cc2c(C)[nH]c3ccccc23)ccc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEULDLDFUVYMEZ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C)c(CC(=O)Oc3ccc4ccc(=O)oc4c3CC=C(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPBVTPYDSPQAM-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CC(=O)Oc3ccc4ccc(=O)oc4c3CC=C(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBTGXNKWIKMEMG-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(OC(=O)Cc2c[nH]c3ccc(Br)cc23)ccc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWRZUIFBRYCSBY-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(OC(=O)Cc2c[nH]c3ccc(C)cc23)ccc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWLBUFUMTNLQPE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CC(=O)Oc3ccc4ccc(=O)oc4c3CC=C(C)C)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDIGSXQRNJVKBQ-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(OC(=O)Cc2c[nH]c3cc(Cl)ccc23)ccc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFREFOVXHTHOG-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(OC(=O)NCCc2c[nH]c3ccccc23)ccc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJABYABDGPGCOW-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(OC(=O)NCCc2c(C)[nH]c3ccccc23)ccc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPGQLDOAIUPWFW-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)Oc3ccc4ccc(=O)oc4c3CC=C(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMBURGREAJOGRF-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(OC(=O)NCCc2c[nH]c3ccc(Cl)cc23)ccc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICBDEHOPZWIBE-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(OC(=O)NCCc2c[nH]c3ccc(C)cc23)ccc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNIHTMJEFTERK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CC(C)NC(=O)Oc3ccc4ccc(=O)oc4c3CC=C(C)C)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWBUMGZRUKQFIN-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(c(Br)cc3cc(-c4ccccc4)c(=O)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIYPPCYTFVATFX-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc2cc(Br)c3c(c2oc1=O)CCC(C)(C)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLSXERTSYTSHW-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3cc(Br)c4c(c3oc2=O)CCC(C)(C)O4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGNSJZZVWBGMS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(Br)c4c(c3oc2=O)CCC(C)(C)O4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBBQGHXPOWPQL-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(c(Br)cc3cc(-c4ccc(F)cc4)c(=O)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKDQHMOPWMZDGB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3cc(Br)c4c(c3oc2=O)CCC(C)(C)O4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMBZHNKLWSHPA-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(c(Br)cc3cc(-c4ccc(C(F)(F)F)cc4)c(=O)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLPFHALBVILQPK-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(c(Br)cc3cc(-c4cccc(C(F)(F)F)c4)c(=O)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGPOHJUEJVVBDL-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(c(Br)cc3cc(-c4ccc(OC(F)(F)F)cc4)c(=O)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVQMZVRLBDVCF-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ccnc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXVYKWKQSGVIF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFADPAKTJDMCEC-UHFFFAOYSA-N", "SMILES:CCc1nc(C(N)=O)c(Cc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYARCINDRAOWII-TVOCXUCUSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CC[C@@]4(O)[C@@H](C2)N(S(=O)(=O)c2ccccc2)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4116482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVNBYORCXATCAJ-ZFEMXKDYSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CC[C@@]4(O)[C@@H](C2)N(S(=O)(=O)c2ccccc2N(C)C)CC[C@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZLDZUYPRWTIZ-CEXAHVDPSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CC=C4[C@@H](C2)N(S(=O)(=O)c2ccccc2)CC[C@]431"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBETVHLFGXAETJ-NSCYIRBMSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CC=C4[C@@H](C2)N(S(=O)(=O)c2ccccc2N(C)C)CC[C@]431"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTWAODTAKMZMG-XADNFDQUSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CC[C@H]4[C@@H](C2)N(S(=O)(=O)c2ccccc2)CC[C@@]341"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRJOGQLVJXHXEW-QHVAUOSFSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CC[C@H]4[C@@H](C2)N(S(=O)(=O)c2ccccc2N(C)C)CC[C@@]341"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOXPABZRJKHXQP-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(-c3ccnc(Nc4cnn(C)c4)n3)cc2C)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUXWCAUASIOYJB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC(F)(F)F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGPYJNCVAAQAAM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(C(C)(C)C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSLCPJRBIGWFN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(C2CCC2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMASIJQDYFZKAT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC2CCC2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXZBWUUJPEPKD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC2CNC2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRPUEUIXPDQKI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC2CN(C)C2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIRNEHIHFTFFD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC2CN(O)C2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEDGLTQKYJZTIB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC2CC(F)(F)C2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZLQSWLVYGUIKM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC2CCOC2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKAIXFVQPGJHM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC(C)C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYMUXLPXUHYGV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC(C)(C)C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIAAOQCJFDDOP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC2(C)CC2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGSGYSFBSIVIGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN1CCN(CC(C)(C)C#N)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNRSLKRGIPPDCX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C4CN(C)C4)c3)n2)ccc1CN1CCN(CC(C)C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEOCVCRTNLETJA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(CCO)c3)n2)ccc1CN1CCN(CC(C)C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYMDYCDZAGVLOG-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCN(Cc2ccc(-c3ccnc(Nc4cnn(CCO)c4)n3)cc2Cl)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKSZVSTSRQELU-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCN(Cc2ccc(-c3ccnc(Nc4cnn(CCO)c4)n3)cc2C(F)(F)F)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFIXNAQCUHGCOB-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN1CCN(Cc2ccc(-c3ccnc(Nc4cnn(CCO)c4)n3)cc2C(F)(F)F)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKFVZMWVDXKFIX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(CCO)c3)n2)ccc1CN1CCN(CC(C)(C)C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFNHWZJHEKXXQV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc(Nc3cnn(C4CN(C)C4)c3)n2)ccc1CN1CCN(CC(C)(C)C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGMUAZLYPDCYCE-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)CCOc1cncnc1-c1ccc(CN2CCN(CC(C)(C)C)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLLXUWLKVLGRMI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cncnc1-c1ccc(CN2CCN(CC(C)(C)C)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDKIYKERBDZEJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cnccc1-c1ccc(CN2CCN(CC(C)(C)C)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCPWAVJOMBSAIN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cnccc1-c1ccc(CN2CCN(CC(C)C)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIZFLVMYYCAMD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cnccc1-c1ccc(CN2CCN(CC3CCC3)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEDVTPXSTREZFI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cnccc1-c1ccc(CN2CCN(CCC)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQQYBUSHGNDBS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cnccc1-c1ccc(CN2CCN(C(C)C)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMIOWJADTBYGFC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cnccc1-c1ccc(CN2CCN(CC)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWWIKWZCLCUKPO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cnccc1-c1ccc(CN2CCN(C)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHRWUWFCLQRJTK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cncnc1-c1ccc(CN2CCN(CC3(C)CC3)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYOZWHIPVNJVRU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cncnc1-c1ccc(CN2CCN(CC(C)C)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVJZPUJKQLYQI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cncnc1-c1ccc(CN2CCN(CC3CCC3)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEIMAPPZPZOTHN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cncnc1-c1ccc(CN2CCN(CC(F)(F)F)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBXOJERMQKUIMM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cncnc1-c1ccc(CN2CCN(CC(C)(C)C)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSVCNGGOLKRCD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cncnc1-c1ccc(CN2CCN(CC(C)(C)C)CC2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKWZBVMDZBSKA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cncnc1-c1ccc(CN2CCN(C3CCOC3)CC2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVWWTYXHRFDJA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1c(-c2ccc(CN3CCN(CC(C)C)CC3=O)c(C)c2)ccnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYLDYXQKAISMX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1c(N)ncnc1-c1ccc(CN2CCN(CC(C)C)CC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHIOVDAYAQOIGI-UHFFFAOYSA-N", "SMILES:Cn1cc(C#Cc2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUJJRGBBVBVPE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Nc2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJZNNHOFUMRAFZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(-c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXFFIXHXVECSY-UHFFFAOYSA-N", "SMILES:CC(O)(c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccn1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POYOIQVFIQTDPH-UHFFFAOYSA-N", "SMILES:CC(C)(O)C1CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDCMHHLSCTNMM-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQONALBXKCWFCX-UHFFFAOYSA-N", "SMILES:FC1(F)CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZAIAWNRVIIHY-UHFFFAOYSA-N", "SMILES:N#CC1CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPUJNAFDKDSWAS-UHFFFAOYSA-N", "SMILES:CC1(C#N)CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NICUEYGKVWUHJD-UHFFFAOYSA-N", "SMILES:OC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEBFDSQUZKGAEU-UHFFFAOYSA-N", "SMILES:FC1(F)CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNAMMQHNTKAVPW-UHFFFAOYSA-N", "SMILES:OC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNFVBSCNPFXLOV-UHFFFAOYSA-N", "SMILES:OC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)CCC(O)(C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHOBYLGOPIZNQ-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BONQSAAWAZVOPD-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTGJTMPXRNRJDH-UHFFFAOYSA-N", "SMILES:FC1(F)Oc2ccc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPSMMQOXBGYIGI-UHFFFAOYSA-N", "SMILES:N#CC1CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZZCUPLLIWQJSO-UHFFFAOYSA-N", "SMILES:OC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccc2F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGSLKRRIBYCTD-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENSSRBZZIISAU-UHFFFAOYSA-N", "SMILES:OCCN1CCN(c2ccc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIGEIPLUNXHRI-UHFFFAOYSA-N", "SMILES:c1cc(Oc2cn(C3CC3)nc2C2CCOCC2)cc(Nc2ccn3ncnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLSOFWNLXMJUHH-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXLNTCBRRSHQO-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)O)c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIJDCSSCKRINT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2c(c1)C(N(C)C(=O)Cc1ccccc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCIAEVFRWNKFU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2c(c1)C(N(C)C(=O)CCc1ccccc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFMYCCJMEOAUMO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2c(c1)C(N(C)C(=O)Nc1ccccc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMTDZDZRPANYIK-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(C)C1CCCc2ccc(NS(=O)(=O)c3cc(-c4cccc(C(=O)N(C)C)c4)ccc3OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYBSSFQICDINMK-UHFFFAOYSA-N", "SMILES:COc1ccccc1CC(=O)N(C)C1CCCc2ccc(NS(=O)(=O)c3cc(-c4cccc(C(=O)N(C)C)c4)ccc3OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUBQSRXATQWTBD-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONYJYAZEWRESR-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRKVEMBABPOWOC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2c(c1)C(N(C)C(=O)Cc1cccc(O)c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVOJRINYVSUDX-UHFFFAOYSA-N", "SMILES:CCOc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWAZIIFDSSFJE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2c(c1)C(N(C)C(=O)Cc1cccc(N(C)C)c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHHICAZTSKBJV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2c(c1)C(N(C)C(=O)Cc1cccc(F)c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWTFCQUYQYCEOJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2c(c1)C(N(C)C(=O)Cc1cccnc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXNSEEZSSPOGPN-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)OC2CCCc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCVSGMGPAHFBT-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)NC2CCCc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSUFQYDPVJKPPD-UHFFFAOYSA-N", "SMILES:CCN(C(=O)Cc1cccc(OC)c1)C1CCCc2ccc(NS(=O)(=O)c3cc(-c4cccc(C(=O)N(C)C)c4)ccc3OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKFALOLZLFXNV-UHFFFAOYSA-N", "SMILES:CCCN(C(=O)Cc1cccc(OC)c1)C1CCCc2ccc(NS(=O)(=O)c3cc(-c4cccc(C(=O)N(C)C)c4)ccc3OC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AALQUECXBILQKO-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)C2CCc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAUUZIRLIWCWEF-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N(C)c2cccc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRWURRXGCPDCNE-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N(C)c2cccc3c2CC(NS(=O)(=O)c2cc(-c4cccc(C(=O)N(C)C)c4)ccc2OC)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONYJYAZEWRESR-YTTGMZPUSA-N", "SMILES:COc1cccc(CC(=O)N(C)[C@H]2CCCc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONYJYAZEWRESR-JGCGQSQUSA-N", "SMILES:COc1cccc(CC(=O)N(C)[C@@H]2CCCc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL438925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNHNCAUVYOTPM-IIIOAANCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC(=O)N3)CSSC[C@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413434", "category": ["biolink:ChemicalEntity"], "name": "OREXIN B", "xref": ["InChIKey:OHOWSYIKESXDMN-WMQZXSDYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLABFLKPWCVSRA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2c(c1)C(N(C)C(=O)C1CCCCC1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXWBRGZMMQAYIG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2c(c1)C(N(C)C(=O)c1ccccc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INSNGTFXDDOTII-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N(CC2CC2)C2CCCc3ccc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZDHPRVHOKZUFU-CQDYWJOASA-N", "SMILES:Cc1oc(=O)c2c(c1C)O[C@@]1(C)[C@H](O)[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYYWHYKFTWHHO-GLULNVKHSA-N", "SMILES:Cc1oc(=O)c2c(c1C)O[C@@]1(C)[C@H](O)[C@H](O)[C@H]3[C@@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]43CO)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNWDFGSANXBRM-GDAUPJJKSA-N", "SMILES:Cc1oc(=O)c2c(c1C)O[C@@]1(C)[C@H](O)[C@H](O)[C@H]3[C@@](C)(CC[C@H]4C(C)(C)[C@@]5(O)CC[C@@]43CO5)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIFPGGMJDWMJH-UHFFFAOYSA-N", "SMILES:c1ccc(/N=N/Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGLNQXMMFSBMRV-UHFFFAOYSA-N", "SMILES:Brc1ccc(/N=N/Nc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYQQLTVBTOYPFO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(/N=N/Nc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWHADDRSYYTDOA-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(/N=N/Nc2ccc(C(C)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEAFJMXOYIXBAV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n2c1C=[N+]1[N+](=C3C=CC=C(NCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)N3[B-]1(F)F)[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWSGUVGRRBAPDE-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCNC2=CC=CC3=[N+]4[N+](=Cc5c(C)cc(C)n5[B-]4(F)F)[B-](F)(F)N23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDVHLCWWMDXNA-UHFFFAOYSA-N", "SMILES:CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C3C=CC=C(NCCCCN4CCN(c5ccccc5OC)CC4)N3[B-](F)(F)[N+]1=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZBZRVLCAAQXCD-UHFFFAOYSA-N", "SMILES:CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C3C=CC=C(NCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)N3[B-](F)(F)[N+]1=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKMYWRRXARHJG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCNC2=CC=CC3=[N+]4[N+](=Cc5cc6ccccc6n5[B-]4(F)F)[B-](F)(F)N23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJXCDLCLGEZHH-WUXMJOGZSA-N", "SMILES:CCC(C)/C=C(\\C)c1cc2c(cn1)C(=O)C1=C(N)C(=O)C(OC)=CC1=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTMOEJRXVCSJJ-IZZDOVSWSA-N", "SMILES:CCC(C)/C=C(\\C)c1cc2c(cn1)C(=O)c1c(cc(OC)c(O)c1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUOEFHLXREGMT-VGOFMYFVSA-N", "SMILES:CCC(C)/C=C(\\C)C1=Cc2cc3c(c(O)c2CO1)C(=O)C(O)(CC(C)=O)C(OC)=C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5188473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVONKRQIJUZYGN-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)OCCN1CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLHJOCZKNCXMZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)OCCC1CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIWUPSODBJMBOO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVJZDSJRAQLKQP-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(OCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKJALQUHAMQNR-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKRRAJNCVOMQD-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWMKSYGAMJOHCB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)O)cc1OCCC1CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVDMEPVFBETQM-UHFFFAOYSA-N", "SMILES:Cc1cc(CC(=O)O)cc(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUEGDUVTXZWBMT-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(Cl)c(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDWIBHREUDPME-UHFFFAOYSA-N", "SMILES:CCc1ccc(CC(=O)O)cc1OCCC1CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACXVPJWIBMHZAF-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAEJZXHOBNXVEB-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCCC(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHUMXNKSMKHJGJ-ZATIRFRLSA-N", "SMILES:COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFKXUGZADXKGDM-UHFFFAOYSA-N", "SMILES:CC1(C)CC(NC(=O)C(=O)Nc2ccc(F)nc2)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3889746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZOEYFNUDMUIX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4115154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LARFZNXVNANWFD-MRXNPFEDSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LARFZNXVNANWFD-INIZCTEOSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@H](O)C2)c(-c2cncnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRUKIMUBXEUMU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cncnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPGHMEFZZNASRS-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)cc4)c2)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXESFODGKCURFV-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)cc4)c2)CCOC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMJDHEIETPXLSN-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)cc4)c2)CCSC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJSJMWTWURDRK-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)cc4)c2)CCN(S(C)(=O)=O)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWIMUKTRAZYDY-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)cc4)c2)CCN(C2CC2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJNOCHWIJWWHKM-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)cc4)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHCQIEZWVTZYDU-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)c(C(F)(F)F)c4)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLJILDNBSGWGP-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4cccc(C(F)(F)F)c4)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNLIRGGKGJPDJ-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(Cc4ccccc4)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZIKOAQRCBKOJI-SAIGFBBZSA-N", "SMILES:CCN([C@H]1CC[C@H](C(=O)O)CC1)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)c(C(F)(F)F)c4)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKVNLKVBNRPIG-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)c(C(F)(F)F)c4)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSQITVEHKZTRC-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(sc(NC(=O)c3cccc(OCCOCCOCCOCCOCCOCCO)c3)c2C(=O)c2cnn(-c3ccc(Cl)c(C(F)(F)F)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPNUABZHEVYZEW-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)NC(C)(C)C(=O)NCCN(C)C)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)c(C(F)(F)F)c4)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIKQSIJKVZVDY-AVHSHDBASA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)N(C)C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cnn(-c4ccc(Cl)c(C(F)(F)F)c4)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRGXDTXRRBRWOH-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJOSQMHEFQOPG-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDNSXVKEIRLBG-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXYHSMMHZXUAT-UHFFFAOYSA-N", "SMILES:CCCCCOC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPGOUKRVZRGTDB-UHFFFAOYSA-N", "SMILES:CCCCCCOC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEIWWOUZAVLAM-UHFFFAOYSA-N", "SMILES:CCCCCCCCOC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLRSKUVSVDEEQ-UHFFFAOYSA-N", "SMILES:CC(CO)OC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQSFYLORJNENFQ-UHFFFAOYSA-N", "SMILES:CC(O)COC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFKWNUXFSZHLG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(C(=O)OCCCCc3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQIJHXJGQADGDY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(C(=O)OCCOCCO)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSXSSAXKALKXRF-UHFFFAOYSA-N", "SMILES:CCCCCCCOC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWJVJGSCIVXURC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(C(=O)OCCO)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCZUFCLWGYEFY-UHFFFAOYSA-N", "SMILES:COCCOC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERHAZVFWYDZTM-UHFFFAOYSA-N", "SMILES:CCOCCOC(=O)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBHCVZUNHZUPZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(C(=O)OCCOc3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMWNWIBOOYESP-NJBDSQKTSA-N", "SMILES:C[C@H]1O[C@H](CC(=O)O)Cc2c1c(O)c1c3c(c4n(c23)[C@@H]([C@@H](C)O)CC4)C=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5170888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UABXYBZOZRLKEK-XNGWIOIMSA-N", "SMILES:C[C@H]1O[C@]2(C)CC(=O)O[C@]2(C)c2c1c(O)c1c3c(c4n(c23)[C@@H]([C@@H](C)O)CC4)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMVZLVPYLMSGAY-ZAZJYDDPSA-N", "SMILES:COC(=O)C[C@H]1Cc2c(c(O)c3c4c(c5n(c24)[C@H]([C@@H](C)O)CC5)C=CC3=O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCIPLYCMVXSIDW-BFVZDQMLSA-N", "SMILES:C[C@@H]1OC(CC(=O)O)=Cc2c1c(O)c1c3c(c4n(c23)[C@H]([C@@H](C)O)CC4)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCIPLYCMVXSIDW-RULNRJAQSA-N", "SMILES:C[C@H]1OC(CC(=O)O)=Cc2c1c(O)c1c3c(c4n(c23)[C@H]([C@@H](C)O)CC4)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKQNMOKOZIAQO-DKZXUEBISA-N", "SMILES:C[C@@H]1O[C@@H](CC(=O)O)C(=O)c2c1c(O)c1c3c(c4n(c23)[C@H]([C@@H](C)O)CC4)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDYNSDOODQSYRY-LNLATYFQSA-N", "SMILES:C[C@@H](O)[C@@H]1CCc2c3c4c(c(O)c(O)c(C[C@@H](O)CC(=O)O)c4n21)C(=O)C=C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFVJBQLVXOIJJL-BIAAXOCRSA-N", "SMILES:C[C@H]1Oc2c(O)c3c4c(c5n(c4c2C[C@H](CC(=O)O)O1)[C@H]([C@@H](C)O)CC5)C=CC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPTOIXXDPJQPST-UHFFFAOYSA-N", "SMILES:CCCCn1cc(COc2ccccc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMFRATIVZVUATC-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(COc2ccccc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGUYIAZKKCFHL-UHFFFAOYSA-N", "SMILES:CCC(C)n1cc(COc2ccccc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPULRGMDVGQRO-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(COc2ccccc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAETZYOEFZLRJT-UHFFFAOYSA-N", "SMILES:CC(C)CCn1cc(COc2ccccc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRGLJQKGNUURTD-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Cn1cc(COc2ccccc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROIUVZZDNGXMOC-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cn2cc(COc3ccccc3C=O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOQRQLUTNMWCOM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1cc(COc2ccccc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQZDVGDKJQZLFF-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cc(COc3ccccc3C=O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBRLJXULYLFGF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1cc(COc2ccccc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUUJWHAVPABDR-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2cc(COc3ccccc3C=O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHVVYOUGMDYEJM-UHFFFAOYSA-N", "SMILES:CCCCn1cc(COc2cc(F)ccc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADPJKHKGONRXHC-UHFFFAOYSA-N", "SMILES:CCn1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUMDMBWTDILSDZ-UHFFFAOYSA-N", "SMILES:CCCn1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPXKUOQQWJHMB-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXCQIDZHWCFNAY-UHFFFAOYSA-N", "SMILES:CCCCn1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKHPAGRKGDXRHY-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPQLZXPZOHCJQ-UHFFFAOYSA-N", "SMILES:CCC(C)n1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSNPSASIOLFEV-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOURHVRWCIANBK-UHFFFAOYSA-N", "SMILES:CC(C)CCn1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCCARNRPSZONMX-UHFFFAOYSA-N", "SMILES:O=Cc1cc(F)ccc1OCc1cn(Cc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFJXOUDDNVLNSK-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Cn1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKMQILAOPKDOZ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cn2cc(COc3ccc(F)cc3C=O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVCFTNJCJWGRGQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKGEFAYEZMOJC-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cc(COc3ccc(F)cc3C=O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDOPRWRPEWHZLT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1cc(COc2ccc(F)cc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSVOSDXIFDFTB-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2cc(COc3ccc(F)cc3C=O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWFRYVMUAHRKX-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1cc(COc2cc(F)ccc2C=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHUUEYLYYLTGI-DNBQFIKMSA-N", "SMILES:C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1C/C=C(\\C)[C@@H]1CCc2c(O)c(CC3C(=O)C(C(C)=O)=C(O)C(C)(C)C3O)c(O)c(C(=O)CCC)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHUUEYLYYLTGI-ZNALYMAFSA-N", "SMILES:C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1C/C=C(\\C)[C@H]1CCc2c(O)c(CC3C(=O)C(C(C)=O)=C(O)C(C)(C)C3O)c(O)c(C(=O)CCC)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTJLMHFYGQTZGR-HQLDPRPMSA-N", "SMILES:NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBZZLVULBBBER-REVREAKRSA-N", "SMILES:NCCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc2ccccc2c1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMSBJUGTJUGWQX-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPQFXRDUUVUMM-FQSKIORSSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMLIVTUMOXJTD-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPQFXRDUUVUMM-WPUOIDIFSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSMVMKSVHUBNI-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NC(C)(C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPRPLRGMSHRRW-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NC(c1nc3c(C(N)=O)cccc3[nH]1)C(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHEWPSFLMCUPRO-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRJJQVKZCGPSG-STFFIMJZSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEYBDYWUSNRBP-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NCc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHRRVLYZDXFERR-UHFFFAOYSA-N", "SMILES:O=C1NCCc2[nH]c(-c3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYIYLJLPAAZRRT-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccncc2)cc2c1CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVODROMIHSQWCT-UHFFFAOYSA-N", "SMILES:CCn1c(-c2ccncc2)cc2c1CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUMWRYOMDFANOB-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2ccncc2)cc2c1CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKIIGVLQHTSFA-UHFFFAOYSA-N", "SMILES:CC(C)n1c(-c2ccncc2)cc2c1CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFINZKGSCYRMI-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1cc(-c1ccncc1)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUDZBMASYXMNS-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1cc(-c1ccncc1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRRPSTKWKIHULC-UHFFFAOYSA-N", "SMILES:CCn1c(-c2ccncc2)cc2c1CCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXCVVFIKRKVMKZ-UHFFFAOYSA-N", "SMILES:CCCN1CCc2c(cc(-c3ccncc3)n2CC)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGHBHCWTWHPLR-UHFFFAOYSA-N", "SMILES:c1cc(-c2cc3c([nH]2)CCNC3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQYKIBPUNQVZRF-UHFFFAOYSA-N", "SMILES:O=C1CCCc2[nH]c(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRXTWQXVRAIPAQ-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccccc2)Cc2[nH]c(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRALIGHGSMNTAO-IRQHXVELSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2cc3ccccc3[nH]2)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC1=O)C(C)C"]}
{"name": "Carbon storage regulator", "xref": ["CHEMBL.TARGET:CHEMBL5169227"], "id": "UniProtKB:P69913", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWRXNYCEDGJGX-SKPPGDDKSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H]1Cc2cn(nn2)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFFQZAPVHTZJMA-SKPPGDDKSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H]1Cn2cc(nn2)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKHYHOEYGXTCP-SLJYAKFTSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H]1Cc2cn(nn2)CC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYIVNKJVMSGSX-SKPPGDDKSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H]1Cc2cnnn2C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTPHQEDCKZKBKZ-SLJYAKFTSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H]1Cc2cnnn2CC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWRYJXBJGNFEIZ-SLJYAKFTSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H]1CCn2nncc2C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC1=O)C(C)C"]}
{"name": "Ribosomal RNA small subunit methyltransferase A", "xref": ["CHEMBL.TARGET:CHEMBL5169241"], "id": "UniProtKB:Q9I5U5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCQOVEJEDIQVFU-VMPITWQZSA-N", "SMILES:COc1cccc(/C=C/C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGKBJJFAMYVOO-VMPITWQZSA-N", "SMILES:COc1cccc(/C=C/C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCOIUMSTPXKEOX-XVNBXDOJSA-N", "SMILES:COc1ccc(/C=C/C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTPMBQQPVBHOBP-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccccc3F)cc(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWPSSAFWEBQGJT-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3cccc(F)c3)cc(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJGIKHOHEWYHFZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIGNBUHMFGNNH-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3ccc(O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDJYTJVBZKXCM-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccccc3C(F)(F)F)cc(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVIJHKXSQHYLEN-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTFNPSXRYPTGK-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccccc3OC(F)(F)F)cc(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFSNMSKMXUKMC-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3cccc(OC(F)(F)F)c3)cc(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNTTVSAOUXQWSB-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccccc3OC(F)(F)F)cc(-c3ccc(O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNHOBSZFTGCBLO-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc(O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRSZMILOMUPIBJ-UHFFFAOYSA-N", "SMILES:CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QICGQVSBLJCONR-UHFFFAOYSA-N", "SMILES:CNc1nc(NCc2ccccc2Cl)cc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZMAQAUPZLREN-UHFFFAOYSA-N", "SMILES:CNc1nc(NC2CCCCC2)cc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKPSGOIHHALKDG-UHFFFAOYSA-N", "SMILES:CNc1nc(Oc2ccccc2)cc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDFNWVULHDPTB-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Nc1cc(C)nc2c(-c3ccccn3)cnn12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBWQGRTRBNLNN-UHFFFAOYSA-N", "SMILES:Cc1cc(NCc2ccc(F)cc2)n2ncc(-c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLJLCJWRSXODQ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(C)c2ccc(F)cc2)n2ncc(-c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWKUDFZUARGPI-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(C)(C)c2ccc(F)cc2)n2ncc(-c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSBJNCXHRLWFJ-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCCC2c2ccccc2)n2ncc(-c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGGNEDPCSSLGDD-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCCC2c2cccnc2)n2ncc(-c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGDJVSURAKMIPU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIWRGGBJTVUXNK-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccccn2)nc(NC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCEFCHMRVURBBT-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCC(c3ccccc3)C2)n2ncc(-c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSQRWTZUUURCRC-UHFFFAOYSA-N", "SMILES:NC(Cc1cnc[nH]1)c1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNNZQIZIFWBSKE-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3nc(C(N)CCOCc4ccccc4)[nH]c(=O)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGAZEBDOLGIFH-UHFFFAOYSA-N", "SMILES:O=C(Cc1nn(CC2CCC2)c(=O)c2ccccc12)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBMAGHYRALAOF-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKJKZCGDQUUPW-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNLAJCOXCELDJ-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NADDXTNWNPDOCX-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVRCBWAGWCMWTE-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJCYJMBYTDXDSW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLBMCWFPSKSTC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFLCICMDSUJAHL-UHFFFAOYSA-N", "SMILES:Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(S(=O)O)c4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQQXYRJOPVOQW-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1ccccc1O)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMPXLZQPRTIQF-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cc(Br)cc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVGHOMAZSLBPG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSRBZKRTLHORFU-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cc(Br)ccc1Br)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KACOTWUGEBJOFP-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cccnc1Cl)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJBFVDSVLOMDGU-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1ccc(O)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XACRCBUKWINJRV-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1871252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUBXSOWVUXXVFX-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cccc(O)c1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBBBWEPMETWDGH-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3084839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQGXMDLWJNGQH-JCNLHEQBSA-N", "SMILES:N[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSQNTGGWLBUZMI-XGAFWQRZSA-N", "SMILES:NCCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXVPEORISOBQZ-SAIGFBBZSA-N", "SMILES:NCCCNCCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPUUVOATUZVRNA-HNKWHGCMSA-N", "SMILES:NCCCNCCCCNCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENVZXUPTOFKRC-JCNLHEQBSA-N", "SMILES:NC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBARWKMXQSXULQ-XUTJKUGGSA-N", "SMILES:NCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJULNXNBQMSHF-HCGLCNNCSA-N", "SMILES:NCCCNCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTVILUUAQWQWBK-IYARVYRRSA-N", "SMILES:N[C@H]1CC[C@H](Nc2nc(NCc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5205172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPCIRKHMJHAPC-HZCBDIJESA-N", "SMILES:NCCCCNC(=O)c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQCNFTQXQFIITD-SOAUALDESA-N", "SMILES:NCCCNCCCCNC(=O)c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVPJJAMHJWQHGT-JKSUJKDBSA-N", "SMILES:CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@]1(C)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJGYMFEBBKKTC-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2C(NCCCCCCC(=O)CCCCNc2c3c(nc4ccccc24)CCCC3)c2ccc(Cl)cc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPCMRKWPQQSKI-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLPXCJPBUMYCP-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJFYGYPBECTLQO-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3F)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCAMFFPZVDHSGD-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3C)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZMUSMCVWAACD-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3Cl)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUWQPNHZDNMMHC-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(F)cc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRHFZLKDYGSKEE-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(C)cc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEYMZJIOHNGHB-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEIAPSAIFSAPPV-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3cccc(F)c3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHNGBRCFNASFD-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3cccc(C)c3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHRQWXCIOHBMQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3cccc(Cl)c3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IESMKCWECFHKKA-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)N(Cc2csc(COc3ccc(C)cc3)n2)CC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTTXWBUVYPSYHT-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3c(F)cccc3F)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWOJFRWOUTCQM-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3cccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQGLBPAEBYHRS-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccco3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QICNTESRXJVEQX-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1csc(COc2ccc(C)cc2)n1)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATNPYSBURNDFQN-UHFFFAOYSA-N", "SMILES:CCCC(=O)N(Cc1csc(COc2ccc(C)cc2)n1)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYACICUBZYQKMK-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)N(Cc1csc(COc2ccc(C)cc2)n1)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVRWCXKYWKDSL-UHFFFAOYSA-N", "SMILES:CCC(=O)N(Cc1csc(COc2ccc(C)cc2)n1)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYVYIBATAZISJ-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFRZJOXEZTXXPW-UHFFFAOYSA-N", "SMILES:CC(C)CN(Cc1csc(COc2ccc(F)cc2)n1)C(=O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAGHNGJPSARTCJ-UHFFFAOYSA-N", "SMILES:CC(C)CN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFGQFLPREQEYOZ-UHFFFAOYSA-N", "SMILES:CC(C)CN(Cc1csc(COc2ccc(C(F)(F)F)cc2)n1)C(=O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKIAEPFFBQSCIH-UHFFFAOYSA-N", "SMILES:CC(C)CN(Cc1csc(COc2ccc(F)cc2)n1)C(=O)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQYKZRYZWXLOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)C(=O)N(Cc2csc(COc3ccc(F)cc3)n2)CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPDOHBKRBPDYKX-UHFFFAOYSA-N", "SMILES:CC(C)CN(Cc1csc(COc2ccc(F)cc2)n1)C(=O)S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHATVVBDDVLDX-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)S(=O)(=O)c3cccnc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYECQOQIMGLCIT-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYSDOLEKKWHOC-UHFFFAOYSA-N", "SMILES:CCOc1cc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKHKCXYWWGKQE-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOMPVMKKWKDRG-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFAJQDZKLHAKGN-UHFFFAOYSA-N", "SMILES:Nc1nc2c(c(=O)[nH]1)C(c1cccc(OC(F)(F)F)c1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZSWNIZHAJEHX-UHFFFAOYSA-N", "SMILES:Nc1nc2c(c(=O)[nH]1)C(c1cccc(Br)c1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DILYCRRGQJGBEA-UHFFFAOYSA-N", "SMILES:Nc1nc2c(c(=O)[nH]1)C(c1ccc(F)c(F)c1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOBGAWTHVZINQ-UHFFFAOYSA-N", "SMILES:Nc1nc2c(c(=O)[nH]1)C(c1cccc(Cl)c1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTRHDVONJDJOQA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGCLHMBHHUNRK-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBDDQWALLRHOQW-UHFFFAOYSA-N", "SMILES:C=CCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQSCWIIVMZNZQX-UHFFFAOYSA-N", "SMILES:CCCCc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKAVZWBDFFCEU-UHFFFAOYSA-N", "SMILES:CCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KILQZHPYQKRZGV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIGTPLNDBBILW-UHFFFAOYSA-N", "SMILES:CCCc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIPYBMTXLJAGMX-UHFFFAOYSA-N", "SMILES:CCCOc1cc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZXLNSGQGWXGJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJWBPXDMATQHV-UHFFFAOYSA-N", "SMILES:CCc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSWTWUTSKSXOV-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJMMJYSWRLTGOD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKDAGVCTZPOAA-JOMNFKBKSA-N", "SMILES:CCCC1N(C(=O)c2cnccc2C(F)(F)F)CCCC1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYWUVWOQKUYLJK-MYVCOICNSA-N", "SMILES:C=CCOc1nccc(C(F)(F)F)c1C(=O)N1CCC[C@@](Oc2csc(C(F)(F)F)c2)(C(=O)N2CCN(c3ccccc3OCCO)CC2)[C@H]1CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CETNYWGGMLYJIH-NSJVFKKDSA-N", "SMILES:CCC[C@H]1N(C(=O)c2cnccc2C)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTVCTYXKBMNNEV-NEEKEDPPSA-N", "SMILES:CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDAHPHPLYNIVNI-NSJVFKKDSA-N", "SMILES:CCC[C@H]1N(C(=O)c2cc(F)ccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIJVFXTUILITAS-ZUKKLESISA-N", "SMILES:CCC[C@H]1N(C(=O)c2c(F)cccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYROPHDCLDVMMH-NEEKEDPPSA-N", "SMILES:CCC[C@H]1N(C(=O)c2c(C(F)(F)F)ccc[n+]2[O-])CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJZSDCJQXKYUSL-NJHZRGNWSA-N", "SMILES:CCC[C@H]1N(C(=O)c2c(C(F)(F)F)ccnc2O)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJRIAIJRBLHUCI-SYBRLPANSA-N", "SMILES:CCC[C@H]1N(C(=O)c2c(C(F)(F)F)ccnc2OCCO)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTNFGWSYUQRQW-UYHPJTEGSA-N", "SMILES:CCC[C@H]1N(C(=O)c2c(C(F)(F)F)ccnc2OCCN(C)C)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOYIUCWUXXYBZ-NYFMKLKXSA-N", "SMILES:CCC[C@H]1N(C(=O)c2c(C(F)(F)F)ccnc2OCC(=O)O)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXUDLNPXFDVQEO-VIZCGCQYSA-N", "SMILES:CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXLUICLLJNYGQS-HLADLETHSA-N", "SMILES:CCC[C@H]1N(C(=O)c2c(C(F)(F)F)ccnc2O)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXWZEKDNBWCLMD-NYFMKLKXSA-N", "SMILES:CCC[C@H]1N(C(=O)c2c(C(F)(F)F)ccnc2O)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCCC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWDQINWGQVJDA-YIZRAAEISA-N", "SMILES:CCCC[C@@]1(CO)NC[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUUYIUNMVCBKPD-MJBXVCDLSA-N", "SMILES:CCCCCCCCC[C@@]1(CO)NC[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOGBPTSLHJLKOL-HBNTYKKESA-N", "SMILES:OC[C@]1(c2ccccc2)NC[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJKOKJAWVSURB-QJPTWQEYSA-N", "SMILES:COc1ccc([C@@]2(CO)NC[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCCTFVPMAHPSF-NGJCXOISSA-N", "SMILES:C[C@]1(CO)NC[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWDQINWGQVJDA-HRDYMLBCSA-N", "SMILES:CCCC[C@]1(CO)NC[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUUYIUNMVCBKPD-HZSPNIEDSA-N", "SMILES:CCCCCCCCC[C@]1(CO)NC[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOGBPTSLHJLKOL-VWYCJHECSA-N", "SMILES:OC[C@@]1(c2ccccc2)NC[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJKOKJAWVSURB-WOPDTQHZSA-N", "SMILES:COc1ccc([C@]2(CO)NC[C@@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLYKPOZRXVJSZ-RJZKCCMJSA-N", "SMILES:OC[C@]1(c2c(F)c(F)c(F)c(F)c2F)NC[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOMIFPYWRTSMA-HBNTYKKESA-N", "SMILES:OC[C@]1(c2cccc(F)c2)NC[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOXPJWNJJAFEN-HBNTYKKESA-N", "SMILES:OC[C@]1(c2ccc(F)cc2)NC[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWBLWUSUABOFPL-HBNTYKKESA-N", "SMILES:OC[C@]1(c2ccc(O)cc2)NC[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUIYGFLHCAIEJT-QJPTWQEYSA-N", "SMILES:Cc1ccc([C@@]2(CO)NC[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGFCZZNEXHQIZ-QJPTWQEYSA-N", "SMILES:COc1cccc([C@@]2(CO)NC[C@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSDLTWUJJDJQM-ZWKOPEQDSA-N", "SMILES:COc1ccc([C@@]2(CO)NC[C@H](O)[C@H]2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLYKPOZRXVJSZ-GHSQNWPZSA-N", "SMILES:OC[C@@]1(c2c(F)c(F)c(F)c(F)c2F)NC[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOMIFPYWRTSMA-VWYCJHECSA-N", "SMILES:OC[C@@]1(c2cccc(F)c2)NC[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOXPJWNJJAFEN-VWYCJHECSA-N", "SMILES:OC[C@@]1(c2ccc(F)cc2)NC[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWBLWUSUABOFPL-VWYCJHECSA-N", "SMILES:OC[C@@]1(c2ccc(O)cc2)NC[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUIYGFLHCAIEJT-WOPDTQHZSA-N", "SMILES:Cc1ccc([C@]2(CO)NC[C@@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGFCZZNEXHQIZ-WOPDTQHZSA-N", "SMILES:COc1cccc([C@]2(CO)NC[C@@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSDLTWUJJDJQM-ICCXJUOJSA-N", "SMILES:COc1ccc([C@]2(CO)NC[C@@H](O)[C@@H]2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHDNEMWDXHBSL-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(CCN(C)C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMZTSPODIBJBF-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(CC(=O)N(C)C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUDSBMXDFJITK-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CC(N(C)C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQRGLHKBMMCLMN-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCC(N(C)C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLAVJGUUBZDGD-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXQZYXVGHSNHX-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)nn2)C2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXDAWYJEMGTVJX-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ncc(F)cc2F)C2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRBYUGWNODNQNQ-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCCF)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHKZUYBSKLUYKA-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCPZGSLTHYYAJZ-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYTJQRZKLRNALS-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCCCF)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDLAVURJSELLX-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCCC(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNRRVXRUYJKRDC-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSABLVMLIYTTE-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCCCCF)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRGNEYRUGWIWBR-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCCCC(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXDTNDATCLJJR-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCCCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHZQEPUBCZALHA-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(C)(C)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJOQXPQAWQBCK-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OC(F)(F)C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGNKQKFTNLRIP-UHFFFAOYSA-N", "SMILES:CC(C)OCc1ccc(CNC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIBDBXPQMXWPL-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(CCC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTIYKFZALMMSIV-UHFFFAOYSA-N", "SMILES:CC(C)CCc1ccc(CNC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPKNVRHTKXVSV-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(CNC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCUKHCVLPLTPSB-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc3c(c2)CC(C)(C)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJSRQYEJNNJLZ-UHFFFAOYSA-N", "SMILES:CC(C)C1Cc2cc(CNC(=O)N(Cc3ccc(F)cn3)C3CCN(C)CC3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTIDWILXIEUPR-UHFFFAOYSA-N", "SMILES:CC(C)c1cc2cc(CNC(=O)N(Cc3ccc(F)cn3)C3CCN(C)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UITDBVOQAAFIIU-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc3c(c2)CCC(C)(C)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEDKDVYRYOESM-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc3c(c2)C=CC(C)(C)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTWKYXMIQHETEV-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(F)(F)F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBDQTSXMBHDFHP-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(F)(F)F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METOVENWIXBOJI-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(F)(F)F)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVAMFCZEYPZSW-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cn2)C(=O)NCc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAPQQYQERZCOIC-UHFFFAOYSA-N", "SMILES:O=C(O)CNS(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVGDFUTTWNAYMD-UHFFFAOYSA-N", "SMILES:O=C(O)CCNS(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKPOAWOQXFKOA-UHFFFAOYSA-N", "SMILES:O=C(O)CCCNS(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSBODUPEIWERR-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCNS(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRGLDHFMGSAGG-JTQLQIEISA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)N[C@@H](CO)C(=O)O)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTERDQPAPZBVNO-NSHDSACASA-N", "SMILES:COC[C@H](NS(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONKGDIAVYIUIF-UHFFFAOYSA-N", "SMILES:CSCCC(NS(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQNRTCNXMVTJL-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)CNS(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODQXYMGQOTJON-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APZGIAKOKFDDCJ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNS(=O)(=O)c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COKUEECTCYPUSI-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)N1CCCC(C(=O)O)C1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZMUVGYYAVFHP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)N1CCC(C(=O)O)CC1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWQZQOYBMBRIAX-MHTVFEQDSA-N", "SMILES:O=C(O)C[C@H](NC(=O)C1CCCN(S(=O)(=O)c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEXQBYGKYFTFIN-INSVYWFGSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)C1CCCN(S(=O)(=O)c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUICJQQAUHLELI-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)N1CCNCC1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSAQUUNBXCJABL-HNNXBMFYSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIGWNHYMRJFCQ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)CC2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHLNZSMOIJZLQ-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CC(=O)N1CCN(S(=O)(=O)c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCLGNHXUGAFUMG-UHFFFAOYSA-M", "SMILES:O=C1c2ccccc2C(=O)c2c(O)cc(S(=O)(=O)[O-])cc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDZIOFSFGZEJQF-UHFFFAOYSA-M", "SMILES:O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])c(O)cc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHSGXDRYAOIDW-UHFFFAOYSA-M", "SMILES:O=C([O-])c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XARRCYVPCCGREF-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNC(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAVOAKBENZCWLQ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFYYXJPKLKCMJ-UHFFFAOYSA-N", "SMILES:O=C(O)CC(Nc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXQXULCJAATEQI-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3184279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCZERPQGJTIQP-UHFFFAOYSA-M", "SMILES:O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWVYQLMVIRQGV-INIZCTEOSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNKCMXYCFQKDO-UHFFFAOYSA-M", "SMILES:Nc1c(S(=O)(=O)[O-])cc2c(c1O)C(=O)c1ccccc1C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEOHDXYRFUIMTD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLWPXCZJFSAXSP-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJUERXXPOJKCC-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1cc2c(cc1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUZOBYQYCRZEJK-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(CNc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBXRICZHFIOQR-UHFFFAOYSA-N", "SMILES:O=C(O)CC(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNJQQVUXNATBD-UHFFFAOYSA-N", "SMILES:O=C(O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJGDJAJWMMMYSV-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCCC(C(=O)O)C3)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITERQQOMXMMVOC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCN(C(=O)CC(O)(C(=O)O)C(=O)O)CC3)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNTJFASFUKYXFU-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBXHJUNRCOQBQ-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCC3CCCN(Cc4ccccc4)C3)cc2oc1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFLLXKDUHOLIJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZZTBSPLOGDOG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEUZPONROHUFH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCYFRROASYTNC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGOSDKWAUIMRS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3cc(Cl)ccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWUMKHBORIBNI-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYGLLUQUDSJIA-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccccc3C)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPQTFAFTQASMG-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccccc3OC)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWQHCSSMKKBWPH-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUCGCFVNPZYGSR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDRPGHFYDGTZDE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUAPFMXYSAOVDA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSLLMMBKNFMBL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZUJKKLMIJGDX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIDMFHVHDPNICD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKYNZUEZOEFPI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVZXSGNFTQZCCI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c3cc(Cl)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARZIOUNGWUNIKG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c3cc(Cl)ccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULCZDMQCWOIQB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZKCUEVNKXRXGN-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEIRCDKFVPMUIK-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(Cl)cc3Cl)cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRSQMCVHVVJGGW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSPYEFIWCWUBB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XARJHSGRYOPRLA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXFBRCJVMLSGFL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSAKJRDBSKYBB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUAUEFWGIITBX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3cc(Cl)ccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSDJVLCPSFWWLX-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccccc3)cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZINIZADJDODMS-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccccc3OC)cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTMUVGPKDLPTRR-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJPUOORVPJTSE-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(Cl)cc3Cl)cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSFLXGICBZUTM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APUFNRAMLCSAKF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)CSc2nc3cnc4ccccc4c3[nH]2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNZEVXFMRNEPY-UHFFFAOYSA-N", "SMILES:COc1cccc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXSDLUXZZGBMY-UHFFFAOYSA-N", "SMILES:CCN(C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21)S(=O)(=O)c1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMUAFBVXLPWIN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2cc(Cl)c(F)cc2c1Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIUDPFVAHVIADU-MDWZMJQESA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Cn2cc(/C=C/C(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMALLAYTYBPIW-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1sc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSTDKMMJNWMGTP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(Nc2ccnc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDCYUTYBXNNNV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJNDVFBPCAHZQU-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNCc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUYNWXQYZUGELG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNCc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMDZCGSWWDTUMR-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(C(=O)NO)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMFCCCECUVGJJ-VOTSOKGWSA-N", "SMILES:O=C(/C=C/C1CCN(CCc2ccccc2)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULPMTANVOCUWOD-AATRIKPKSA-N", "SMILES:O=C(/C=C/C1CCN(CCc2c[nH]c3ccccc23)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRFTXZNZUQKTSF-CMDGGOBGSA-N", "SMILES:O=C(/C=C/C1CCN(Cc2cccc3ccccc23)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZDBEVIQFLLLRU-SNAWJCMRSA-N", "SMILES:O=C(/C=C/C1CCN(Cc2cccc(Cl)c2)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNGOZVZZWPXUPI-VOTSOKGWSA-N", "SMILES:O=C(/C=C/C1CCN(Cc2ccccc2)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOEYREWWKWALTQ-AATRIKPKSA-N", "SMILES:O=C(/C=C/C1CCN(Cc2csc3ccccc23)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPYVWCZEYVBQGX-VOTSOKGWSA-N", "SMILES:Cn1cc(CN2CCC(/C=C/C(=O)NO)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIJUVYDKUWFPZ-ZZXKWVIFSA-N", "SMILES:O=C(/C=C/C1CCN(Cc2ccc(Cl)cc2)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBDRWGUXVAFFB-DHZHZOJOSA-N", "SMILES:O=C(/C=C/C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVUMGHCSRPQCG-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1nncc1CO)c1cc(-c2ccccc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1407865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBVLBSCOSTTAV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2Cl)NC(=O)N1CCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPUCIPUSGMUFN-IVVRXHCNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMSOGHROOVVPEF-YCRURPBISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRPKCPSNWDWPM-WNYXTRFZSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBZGXPVCMLDGZ-RAUGMACMSA-N", "SMILES:CC(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVPHYLGGPUFPEQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncnc(-c4cccnc4Nc4c(Cl)c(OC)cc(OC)c4Cl)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPGRMRIBWAFOOC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(C4CCN(C(C)C)CC4)c3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCRQWMDRNTZLT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(C4CCNCC4)c3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGLIKRYKHLMUBP-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3cc(-c4cccnc4Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLFFNBYRJZHMRQ-CALCHBBNSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOZIDBQIYRSKJX-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cccc(Nc3ncnc(-c4cccnc4Nc4c(Cl)c(OC)cc(OC)c4Cl)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGVVQQTVSMBOE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(N)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUQQXBHNNBVBU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(NCCN(C)C)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUKVHHXGYUDNB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccccc3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGFQHLWYWJVFDH-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1ncnc(-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AERNXUFRWJPKGR-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ncnc(-c3cccnc3Nc3c(Cl)c(OC)cc(OC)c3Cl)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSSCCISGNEPIV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(N(C)C)cc3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBBVTHWEXMNFM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(N4CCOCC4)cc3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFMUTDOMVUDHX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(N4CCOCC4)nc3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQMDAULJCUIOV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNIOWBWPMQECHE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(N4CCC(O)CC4)cc3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNTZUQOJVAETBB-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncnc(-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFMBQSSYLMYRO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1ncnc(-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFHHQONMYFKTEC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(N4CCOCC4)nc3OC)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVPNQMHPNXSPG-CALCHBBNSA-N", "SMILES:COc1cc(N2C[C@@H](C)N[C@@H](C)C2)ccc1Nc1ncnc(-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIMAXORBAESDU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(C4CCOCC4)c3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLRQFRHMLTKDY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(CCCN(C)C)c3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYCPNBASOLHNV-UHFFFAOYSA-N", "SMILES:C=CCn1cc(Nc2ncnc(-c3cccnc3Nc3c(Cl)c(OC)cc(OC)c3Cl)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXWCNGJWJAULSZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(C)c3)n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL535832", "category": ["biolink:ChemicalEntity"], "name": "SEROTONIN HYDROCHLORIDE", "xref": ["InChIKey:MDIGAZPGKJFIAH-UHFFFAOYSA-N", "SMILES:Cl.NCCc1c[nH]c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBSSJQPICTZRIW-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPFGUAHENJTYLI-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVXWKUHLWPQAJS-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIPQTMJOXLAUGV-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DASNTQFTSUTRBD-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1NCCc2c1[nH]c1ccc(O)cc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHFKUXRZGXUUES-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWBGYXADLNZPFD-UHFFFAOYSA-N", "SMILES:Cl.Oc1cccc(C2NCCc3c2[nH]c2ccc(O)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWCGPNNAIQXQPY-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc(C2NCCc3c2[nH]c2ccc(O)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBPCQIHGUTISZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2NCCc3c2[nH]c2ccc(O)cc32)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQGSYAVRQPBQS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2NCCc3c2[nH]c2ccc(O)cc32)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOHXROQJUYQAE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NCCc3c2[nH]c2ccc(O)cc32)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIPKODONRXMHM-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(Br)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVBGTEYBJPDZHX-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3c1cc(F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCSAFXVIHCZREE-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUYOJAQBYBXSDU-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3c1cc(Br)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTMHJQDZUKZLW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(O)cc32)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDIWPLUTOPNPJ-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBGMRJPKPLLSR-UHFFFAOYSA-N", "SMILES:Cl.Cn1ccnc1C1NCCc2c1[nH]c1ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSLYQNKUHCHSKN-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]c3c(c2c1)CCNC3c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVDOKIFUQMRXTB-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZBAGXQFYPCHV-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVCUITYGHCEFI-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHMAUFLZFCXNT-UHFFFAOYSA-N", "SMILES:CCC1NCCc2c1[nH]c1ccc(O)cc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGFDKKHMVZHFL-UHFFFAOYSA-N", "SMILES:Clc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJRUEYHPVXOLI-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTZBIXNEMCGPQM-UHFFFAOYSA-N", "SMILES:Fc1ccccc1C1NCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJLTNMUBMTVFB-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZTKLVZDFSUICK-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQHDZIFDFUZRT-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKAXCAHAHFRBGF-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSQODDGDGBLMEQ-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFPODYYPFCUAK-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1NCCc2c1[nH]c1ccc(Cl)cc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBDRQBAZICRDT-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1NCCc2c1[nH]c1ccc(F)cc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTYJHNSTXGCFP-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccccc1C1NCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGITZBVMXYVLDI-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccccc1C1NCCc2c1[nH]c1ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKWIYMHTUZOBQ-UHFFFAOYSA-N", "SMILES:Cl.Oc1cccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGUNJJWFUZPRB-UHFFFAOYSA-N", "SMILES:Cl.Oc1cccc(C2NCCc3c2[nH]c2ccc(F)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4742882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOZXHFMUDIUESR-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPMAXHABWKVUGO-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDABBDWOQSOAF-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGNCWOWDNFZUSI-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2NCCc3c2[nH]c2ccc(F)cc32)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAHQIOTMBQKKQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMGBBJUUQZBNL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PITOHRLWVQMZNB-UHFFFAOYSA-N", "SMILES:Cl.Fc1ncccc1C1NCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNKDMQGEPZNHH-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMGDLPALUOJRZ-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3c1ccncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTOLIKLMRZKDQV-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZERYISUKXJKKQ-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJURHLPKVXLRJS-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1C1NCCc2c1[nH]c1ccc(Cl)cc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXMDGMCTIQKLSP-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1C1NCCc2c1[nH]c1ccc(F)cc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSMTYWOSTUNGOO-UHFFFAOYSA-N", "SMILES:Clc1ccc2[nH]c3c(c2c1)CCNC3c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DROOMADYIINWAC-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFKYTYFNNSAHCH-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRFQGKQMMNGOGD-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIAWCQYTJUIAOU-UHFFFAOYSA-N", "SMILES:Cc1cc(C2NCCc3c2[nH]c2ccc(Cl)cc32)sc1Br.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNOMOFUTFGBVBQ-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPXPBFECIUESP-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIKIUQFVURNGRX-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYEDVOSIHSQPHW-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDCKVCGQSWXCM-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C3NCCc4c3[nH]c3ccc(Cl)cc43)ccc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJDQAWHCXBYNGC-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C3NCCc4c3[nH]c3ccc(F)cc43)ccc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTGINFZLSSFDX-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHHJLULUIPSCF-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4764937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQCBJXVMBNWMI-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEQYATYCMOJBPU-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDIIUWCSUWEHEI-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVEKXUPRKHKMOR-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMHIMCIOGMDYCD-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYUBDGKQXUYAU-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVUTUVAGZTMMQ-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYNVHURKCLFIO-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYFDLRIZSAOFH-UHFFFAOYSA-N", "SMILES:CCC1NCCc2c1[nH]c1ccc(Cl)cc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAJNKVNATLBRKJ-UHFFFAOYSA-N", "SMILES:CCC1NCCc2c1[nH]c1ccc(F)cc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIXRFWDXENVAEU-UHFFFAOYSA-N", "SMILES:CCCC1NCCc2c1[nH]c1ccc(Cl)cc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZYLPQHKKKITC-UHFFFAOYSA-N", "SMILES:Cl.Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMALRJOFZALGHA-UHFFFAOYSA-N", "SMILES:Cl.Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJLQFGNTXHWIX-UHFFFAOYSA-N", "SMILES:Cl.Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PONFZHXXQYSOSP-UHFFFAOYSA-N", "SMILES:Cl.Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMSWUFXEOYHMY-UHFFFAOYSA-N", "SMILES:Cl.Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKIWBMSBZTJST-UHFFFAOYSA-N", "SMILES:Cl.Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWRTTIMIXKSQW-UHFFFAOYSA-N", "SMILES:Cl.Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZRDMGOVWJYKF-UHFFFAOYSA-N", "SMILES:Cl.Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCJDODJHTIRWNJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZUPBDVDHKDGQH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POCNIPUWZPJPSF-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLYZWFUXWXJGP-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIOAPCYEDLAAN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAUNESXVOQEWDK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOPQIDSZYUUOR-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSLIKMFSUZUUDA-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBIUFAJESDMWSQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXYJMCLXSJHKBZ-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc(O)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTXAWYQFJIVQKG-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHMZWORIRREHNY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHOEIHANZIFDG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMURDBFJORVTBY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYYKSFBZFHETDB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXAAVYCOSHGOW-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2[nH]c3c(c2c1)CCNC3c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGUCJNCHLKWWEP-UHFFFAOYSA-N", "SMILES:Cl.Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKBNSYYGXHYPC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNSQBJKTMUPGEO-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGWJEYWRNJMLSZ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCCCC3)c3c(OC)ccc(OC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1595621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWFIHGWHMXSTAO-UHFFFAOYSA-N", "SMILES:C=CCn1c(S)nnc1CSc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIWHUUDPXQKENJ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCN(Cc4ccccc4)CC3)c3c(OC)cc(OC)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHFPWDDJHAZZKV-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(OCCN3CCCC3)c3cc(OC)cc(OC)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDNBDZNGSCZLM-UHFFFAOYSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)CCC(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMUJFWDEDCLCI-UHFFFAOYSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)NCC(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDTJZJHYWQHGDX-KRWDZBQOSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDTJZJHYWQHGDX-QGZVFWFLSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOWASOBSDEANU-SFHVURJKSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@@H](CCc3ccccc3)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAPVGJRUDCCSOS-IBGZPJMESA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@@H](CCCc3ccccc3)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWAZOIAUTVXDSR-SFHVURJKSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@@H](COCc3ccccc3)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKEWZBQQSOVOQF-NRFANRHFSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFYBFIZXJZGEV-NRFANRHFSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVRMSVKZHMBQU-IBGZPJMESA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJRZSTWLUZQBN-AWEZNQCLSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCJVKHSFRHZPE-LBPRGKRZSA-N", "SMILES:NC(=O)CC[C@H](NC(=O)Nc1ccc(Oc2nc(N)nc3[nH]ccc23)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVSALMDOLIQQGE-NSHDSACASA-N", "SMILES:NC(=O)C[C@H](NC(=O)Nc1ccc(Oc2nc(N)nc3[nH]ccc23)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPEMLIMSVBCELK-KRWDZBQOSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@@H](CC(=O)c3ccccc3)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOWASOBSDEANU-GOSISDBHSA-N", "SMILES:Nc1nc(Oc2ccc(NC(=O)N[C@H](CCc3ccccc3)C(=O)O)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGSXBKTNNCUFJ-PFAYAGKDSA-N", "SMILES:[2H]C([2H])(c1c[nH]c2cccc(F)c12)[C@H]1CCCN1C([2H])([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVPAPIVKCKOBKH-RPFVSKAASA-N", "SMILES:[2H]C([2H])(c1c[nH]c2cccc(OC)c12)[C@H]1CCCN1C([2H])([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGSXBKTNNCUFJ-KMKPOHAJSA-N", "SMILES:[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c[nH]c2cccc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTCECGWXGSQEV-YFIIOVPSSA-N", "SMILES:[2H]C([2H])(c1c[nH]c2cccc(F)c12)[C@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRKPZYRLSWABB-PFAYAGKDSA-N", "SMILES:[2H]C([2H])(c1c[nH]c2cccc(O)c12)[C@H]1CCCN1C([2H])([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRKPZYRLSWABB-KMKPOHAJSA-N", "SMILES:[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c[nH]c2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRKPZYRLSWABB-LLVKDONJSA-N", "SMILES:CN1CCC[C@@H]1Cc1c[nH]c2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFAYAZDVYXQFR-SNVBAGLBSA-N", "SMILES:Oc1cccc2[nH]cc(C[C@H]3CCCN3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFAYAZDVYXQFR-KHQCYXSFSA-N", "SMILES:[2H]C([2H])(c1c[nH]c2cccc(O)c12)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQTZZHAWEBFBAW-CAGSJYCBSA-N", "SMILES:[2H]C([2H])([2H])N1CCC[C@H]1Cc1c[nH]c2cccc(OCc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZGWPGLDBLBQW-UHFFFAOYSA-N", "SMILES:COCCN1CCN(C(=O)CNC2CC2c2cc(F)cc(F)c2OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNADZPAUJAZRMG-UHFFFAOYSA-N", "SMILES:COCCN1CCN(C(=O)CNC2CC2c2cc(F)cc(F)c2OCCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQIACLLNMXQKR-UHFFFAOYSA-N", "SMILES:COCCN1CCN(C(=O)CNC2CC2c2cc(F)cc(F)c2OCCc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPPWGSBQZKTSB-UHFFFAOYSA-N", "SMILES:COCCN1CCN(C(=O)CNC2CC2c2cc(F)cc(F)c2OCc2cccnc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUKOUNPQLPXRHS-UHFFFAOYSA-N", "SMILES:COCCN1CCN(C(=O)CNC2CC2c2cc(F)cc(F)c2OCc2ccnc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCGLELEWKFDJQ-UHFFFAOYSA-N", "SMILES:COCCN1CCN(C(=O)CNC2CC2c2cc(F)cc(F)c2OCc2cc[nH]n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSHIDCKRCXBVJN-UHFFFAOYSA-N", "SMILES:COCCN1CCN(C(=O)CNC2CC2c2cc(F)cc(F)c2OCc2cnn(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULODKRMXMSYDJ-UHFFFAOYSA-N", "SMILES:COCCN1CCN(C(=O)CNC2CC2c2cc(F)cc(F)c2OCc2cscn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXIKZPTYVJRLOH-UHFFFAOYSA-N", "SMILES:O=C(CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F)N1CCC2(CCCN2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOUYVKAMPAJOPE-UHFFFAOYSA-N", "SMILES:O=C(CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F)N1CCC2(CCNC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGXARAYNFDGCT-UHFFFAOYSA-N", "SMILES:O=C(CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F)N1CCC(N2CC3CCC(C2)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXXPWFEBKLPLI-UHFFFAOYSA-N", "SMILES:O=C(CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F)N1CCC(N2CC3CCC(C2)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOUYVKAMPAJOPE-NQIIRXRSSA-N", "SMILES:O=C(CN[C@H]1C[C@@H]1c1cc(F)cc(F)c1OCc1cccnc1F)N1CCC2(CCNC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOUYVKAMPAJOPE-GHTZIAJQSA-N", "SMILES:O=C(CN[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1cccnc1F)N1CCC2(CCNC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBJBCMWIKGTAQV-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c2nc1-c1nnc(o1)C(O)(C(F)(F)F)CCCCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWARPJOYKCFJR-VXJOIVPMSA-N", "SMILES:C[C@H]1CCCCC[C@](O)(C(F)(F)F)c2nnc(o2)-c2nc(c(C(F)(F)F)cc2N)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTOZCUICKNRFG-CQSZACIVSA-N", "SMILES:Nc1cc(C(F)(F)F)c2nc1-c1nnc(o1)[C@@](O)(C(F)(F)F)CCCCCCS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEAGNIFHCPBRKJ-ANRSDYALSA-N", "SMILES:Nc1cc(C(F)(F)F)c2nc1-c1nnc(o1)[C@@](O)(C(F)(F)F)CCCCC[C@H](CO)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWARPJOYKCFJR-CHAFFKDUSA-N", "SMILES:[2H]C1CC[C@@H](C)Oc2nc(c(N)cc2C(F)(F)F)-c2nnc(o2)[C@@](O)(C(F)(F)F)CC1[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGCFFRXWSDGNKE-MRXNPFEDSA-N", "SMILES:CC1(C)CCCC[C@](O)(C(F)(F)F)c2nnc(o2)-c2nc(c(C(F)(F)F)cc2N)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDCPBHIEYXMJR-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1ccn2nccc2c1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOPVIHSBNYDBS-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1)c1ccncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMXDCWYGLMVRBR-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1ccc2ncoc2c1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNSUJQJYBMBJCE-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1ccc2ncoc2c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIJXMJNEANVKAD-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1ccc2ncoc2c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKFJSNVNVRGJCK-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1ccc2ncsc2c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDWKZODYYGZDJG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)C1CCN(c2cncnc2-c2ccc(CNC(=O)c3cn(C(C)(C)C)nn3)c(C)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRTXPBQLYHTFDA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CC1CCN(c2cncnc2-c2ccc(CNC(=O)c3noc(C(C)(C)C)n3)c(C)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQICSHSXBPCTDL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)C1CCCN(c2cnccc2-c2ccc(CNC(=O)c3noc(C(C)(C)C)n3)c(C)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGWFDFJMHYAOU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2cncnc2-c2ccc(CNC(=O)c3cn(C(C)(C)C)nn3)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIHABHUTPXJMNE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2cncnc2-c2ccc(CNC(=O)c3nnn(C(C)(C)C)n3)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUSZISABOHBTFU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2cnccc2-c2ccc(CNC(=O)c3noc(C(C)(C)C)n3)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSZOUHEJNHWSD-UHFFFAOYSA-N", "SMILES:CC(C)(O)CN1CCN(c2cc3nc(Nc4cnn(C5CC5)c4Cl)ncc3cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMISSXBMOMOBN-UHFFFAOYSA-N", "SMILES:CC1(O)CCN(c2cc3nc(Nc4cnn(C5CC5)c4Cl)ncc3cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOOSSGSPRCOJC-UHFFFAOYSA-N", "SMILES:Clc1cc2cnc(Nc3cnn(C45CC(C4)C5)c3Cl)nc2cc1N1CCC2(CCCO2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPCUNIBDWNYAQP-UHFFFAOYSA-N", "SMILES:CC1NN=CC1Nc1ncc2cc(Cl)c(N3CCC(C)(O)C(C)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQMFZQDSFTYJC-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cn1cc(Nc2ncc3cc(Cl)c(N4CCC(C5(C)COC5)CC4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUKDTRAVUCCULC-GFCCVEGCSA-N", "SMILES:Cc1c(Nc2ncc3cc(Cl)c(N4C(=O)OC[C@H]4C)cc3n2)cnn1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANFHWVKNWZUGL-UHFFFAOYSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKNYARPABMEABB-UHFFFAOYSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(=O)n(CC3CC3)c3nc(-c4c(O)cccc4F)c(F)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBMLTPYQIMMAFA-UHFFFAOYSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(=O)n(C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFCCPIPXITTGB-UHFFFAOYSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(OCC3CCCN3C)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWYHOUATIAHQN-UHFFFAOYSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(OCC3CCCN3C)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWYLFPJRBWHHFO-UHFFFAOYSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(OCC3CCCN3C)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLUQNZOSUXAFBM-UHFFFAOYSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(OCCN(C)C)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGXJIMWHDYMFO-UHFFFAOYSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(OC3CCN(C)CC3)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEDSJAJXPIXCG-UHFFFAOYSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(OCCN3CCOCC3)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFCCPIPXITTGB-FQEVSTJZSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(OC[C@@H]3CCCN3C)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNICLRMSPLIHIW-UHFFFAOYSA-N", "SMILES:C=Cc1ncc2n1CCN(c1nc(OC3CCCN(C)C3)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSUMAIZBYPPJM-WHUIICBVSA-N", "SMILES:O=C1C[C@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)c(Cl)c2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBZXAPYAMBRPR-WHUIICBVSA-N", "SMILES:O=C1C[C@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)c(C(F)(F)F)c2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUBBFNQDAVWSFT-CWQZNGJJSA-N", "SMILES:O=C1C[C@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJXRTLFZLXTGAR-WHUIICBVSA-N", "SMILES:O=C1C[C@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYGMWFKGSHCJD-CYQMCQFNSA-N", "SMILES:O=C1C[C@H](C(=O)NC(c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(F)c(Cl)c2F)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVNDRVPPZFQJLX-HJULIUOESA-N", "SMILES:O=C1C[C@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(F)c(C(F)(F)F)n2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604", "category": ["biolink:ChemicalEntity"], "name": "CUPRIC SULFATE", "synonym": ["Copper sulfate", "E519", "Cupric sulfate", "Cupric sulfate pentahydrate", "Copper (as cupric sulfate)", "Copper (as sulfate)", "Copper sulfate pentahydrate", "Copper sulfate, anhydrous", "Copper(ii) sulfate, anhydrous", "Copper(ii) tetraoxosulfate", "Cupric sulfate anhydrous", "Cupric sulfate pentahydrate", "Cupric sulfate, anhydrous", "Cupric sulfate,anhydrous", "Cupric sulphate", "Cupric sulphate anhydrous", "Cupric sulphate pentahydrate", "Cupric sulphate, anhydrous", "Cuprum sulphuricum", "NSC-57630", "Caustic powder", "Cupric sulfate", "Cupric sulfate component of multrys", "Cupric sulfate component of tralement"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5181160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJVCVZOHOGRRBI-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc(OC(C)C(F)(F)F)c3c(Nc4c(F)cccc4Cl)nn(C)c3c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYMSPRNXRQCCN-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc(OC(C)C(F)(F)F)c3c(Nc4c(F)cccc4Cl)nn(C)c3c2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYMSPRNXRQCCN-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c3c(Nc4c(F)cccc4Cl)nn(C)c3c2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNSMYXNZFUKRX-NSHDSACASA-N", "SMILES:CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c3c(Nc4c(C)ccnc4Cl)nn(C)c3c2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDVBRSZGMHNFZ-LBPRGKRZSA-N", "SMILES:Cc1ccnc(Cl)c1Nc1nn(C)c2c(F)c(-c3cn(C)c(C(C)(C)O)n3)cc(O[C@@H](C)C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEAYBZJKBAGZHG-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c3c(Nc4c(F)cccc4Cl)noc3c2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPKQTQHGAWZQEL-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBWOYZALOXLQQU-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4cccc(OC)c4)c(C)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIQZKITRZKTAT-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)cc4)c(C)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMCRZNLISMOPNW-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4cncc(OC)c4)c(C)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGPWLSDGMPBJU-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4ccnc(OC)c4)c(C)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGVVAPPHFFRLH-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4ccncc4)c(C)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZBQEOOGVHEDRW-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2ccncc2)[nH]c2ccc(C3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAGSPINYGPNPCN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZDGZZFKEYIZAS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGAQCUFGPSJCB-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2ccnc(C(F)(F)F)c2)[nH]c2ccc(C3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAXCUEOPBFVRKE-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2ccnc(C3CC3)c2)[nH]c2ccc(C3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQLFJCHASSSAH-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2ccnc(CO)c2)[nH]c2ccc(C3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFYNIYROSTAMV-UHFFFAOYSA-N", "SMILES:Cc1cnccc1-c1[nH]c2ccc(C3CCNCC3)cc2c1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXBSSFPPJPYPW-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2ccncc2CO)[nH]c2ccc(C3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVPBNOTYMSIKC-UHFFFAOYSA-N", "SMILES:Cc1nccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPDNWFVSOMYGJA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSXCQWXAFRASGU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBRKVPBKOLUWIL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(C)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXASVEDHEJYYKS-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C)c(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTNVPCHDVLSIT-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTNVRKIVDPRDJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUCOQCQFEYHVOI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULSQEFCIVQHAV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cc(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLTQYNWFZDDEKQ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCSMIPVBBBTQIR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2[nH]c3ccc(C4CCNCC4)c(F)c3c2C(C)C)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFBSGNLSOOTPMO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2[nH]c3cc(F)c(C4CCNCC4)cc3c2C(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFETVRWREHOYTD-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccnc(C)c2)[nH]c2cc(F)c(C3CCNCC3)c(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUEBYNSBHCJAKZ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccnc(C)c2)[nH]c2c(F)cc(C3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPIPJCBHPFVOGC-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCNCC3)c(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYTJDXWOLBKZIK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2[nH]c3cc(C)c(C4CCNCC4)cc3c2C(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBQBZQRVBJBSX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2[nH]c3cc(C(F)(F)F)c(C4CCNCC4)cc3c2C(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAJAIAJOABIGQ-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)nc4)c(C)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVDTAALQWYENW-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4cccc(OC)n4)c(C)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AILWZTCYOJLQDP-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4cccnc4)c(C)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSSWWNSJXWTGO-IRJFHVNHSA-N", "SMILES:Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ncc(CC(=O)NC5COC5)cn4)CC3)nc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFWVPTUESOISW-RUCARUNLSA-N", "SMILES:Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ncc(C(F)(F)C(=O)NC5COC5)cn4)CC3)nc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJUIOXKEPURYIM-FCDKUWBWSA-N", "SMILES:Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ncc(C(C#N)C(=O)NC5COC5)cn4)CC3)nc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFTSDMFLFYYJPE-FCDKUWBWSA-N", "SMILES:Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ncc(C(CO)C(=O)NC5COC5)cn4)CC3)nc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOARQGOVIZFIQY-YHMAVIRVSA-N", "SMILES:Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ncc(C(O)C(=O)NC5COC5)cn4)CC3)nc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCQGRQQADNVBHG-XGAFWQRZSA-N", "SMILES:Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ccc(CC(=O)NC5COC5)cn4)CC3)nc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNMLXOCEESPQEN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAWUXDLSVYTGKR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2F)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPKQVNYLIHPTF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(F)c2)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQDFTMALVFUKPX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(F)cc2)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZKFUWJNFLWCU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2Cl)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYYRPKYOZAUURH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(Cl)c2)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEOFITJJAZXSJM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(Cl)cc2)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHYGTQIQMGZGS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C)c(Oc2cc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSFDIVGDFSADF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(C)c(Oc3cc(N)nc(Nc4ccc(C#N)cc4)n3)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCUOXTUKASZBV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C)c(Oc3cc(N)nc(Nc4ccc(C#N)cc4)n3)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INBFPAUOBIGKQE-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(C)c(Oc2cc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADDXJXWOASCKE-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(C)c(Oc3cc(N)nc(Nc4ccc(C#N)cc4)n3)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAOBOAVWQJVCLW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)c(Oc3cc(N)nc(Nc4ccc(C#N)cc4)n3)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIDLQZVMUCCJOG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2C#N)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVBOAZNKGRXPSP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(C#N)c2)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBUBOVDIVJKNAL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEPSHANNXGSSH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)c(F)c2)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSWVFYSEROLCJN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)c(C#N)c2)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBPIMCXKQFCRMT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)ccc1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVZUWPRZQZIKRO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2F)ccc1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVAXBVLRFUSPMV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(F)c2)ccc1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMGHRVBBWDMWDN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(F)cc2)ccc1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCIOUSQUIGEHLM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2C#N)ccc1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJNZNAVQZVYTO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(C#N)c2)ccc1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJZMHNXYNHRAF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)ccc1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUBZYVUBVRQGM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)c(F)c2)ccc1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYGZOFAPNFOOB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)c(C#N)c2)ccc1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLSNPLVYIWBNS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(C#N)cc2)ccc1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTOQIRLVVZPWHY-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2cc(N)nc(Nc3ccc(C#N)cc3)n2)ccc1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFFTZPNOLSQOLH-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2cc(N)nc(Nc3ccc(C#N)cc3)n2)ccc1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXWACMKUYEVOD-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWADOHUAAOANSI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(C(C)(C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIJIIPYEAFOKPQ-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(C(C)(C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDVIQBOCLFPLRT-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(C(C)(C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWPFSIZJHUVRGK-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccccc1)c1cccc(NS(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRMOOXYPFMYKO-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEANNMUKXBLFPH-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQUBXJBFLQZXKR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(N(Cc2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIKDGINMOYKRNL-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N(Cc2ccccc2)c2ccc(NS(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPBKKOPWLZRWHJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGIZSGFRPAZOGE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(N(C(=O)c2ccccc2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOXPTDTALDXPN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(c1)OCC(=O)N2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROEPZBMDDYZAQO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(c1)OC(c1ccccc1)C(=O)N2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPRLNYNIMTUMNA-UHFFFAOYSA-N", "SMILES:CC1Oc2cc(NS(C)(=O)=O)ccc2N(c2ccc(F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTPJYSHKGSUFOC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(c1)OC1(CC1)C(=O)N2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCADXBBKQPBAP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(c1)OC1(CCC1)C(=O)N2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPZPTJCDAZMPKJ-UHFFFAOYSA-N", "SMILES:CC1(C)CN(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZYWXLERLDQNN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2nc(N)n(C(=O)Nc3ccc(-c4cc(OCc5ccccc5)cc(C(=O)O)c4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBHYXGMXVZWIKR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2nc(N)n(C(=O)Nc3ccc(-c4ccc(OCc5ccccc5)c(C(=O)O)c4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLUZOPHLVZQOEI-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccc(-c2cc(OCc3ccccc3)cc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNBCUUTUMNJGS-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccc(-c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCAFEORTLPEFE-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccc(-c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUTNJONNFDPYEW-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccc(-c2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIMKTSYKCAAPM-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccc(-c2ccnc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XECBFIUOZGLOED-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccc(-c2cncc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTQJUBSIIMGIR-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccc(-c2cncc(C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZGWJCGSYKZORJ-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccc(-c2cccc(C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZCTYREODBPFV-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccc(-c2nc(C(=O)O)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUZEYWEXPZHOG-MRXNPFEDSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc31)N[C@@H](C1CC1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZFCBGYSFGUNU-UHFFFAOYSA-N", "SMILES:CCC1CCOc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUZEYWEXPZHOG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc31)NC(C1CC1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQTQTNBOKMCWAJ-LLVKDONJSA-N", "SMILES:C[C@@H]1CCOc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQTQTNBOKMCWAJ-NSHDSACASA-N", "SMILES:C[C@H]1CCOc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUZEYWEXPZHOG-INIZCTEOSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc31)N[C@H](C1CC1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKPHKEBKWFZNHM-RYUDHWBXSA-N", "SMILES:C[C@H]1C[C@H](C)Oc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPADEHLCGUTNFC-UHFFFAOYSA-N", "SMILES:CC1Nc2c(c(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)OCC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPRJDQUHIKJKEF-UHFFFAOYSA-N", "SMILES:CC1Nc2c(c(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)OCC12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXNRYJTYFEIAB-IBGZPJMESA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAVLXLCJTOLPIR-UHFFFAOYSA-N", "SMILES:CCNc1c(C)c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMPTDYFGCJTDB-UHFFFAOYSA-N", "SMILES:N#Cc1c(Nc2ccc3[nH]c(=O)c4c(c3c2)NCCC4)ccnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXNRYJTYFEIAB-LJQANCHMSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc31)N[C@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQDCNZJTMIVISO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc31)NC(C(F)F)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACFBZCXKVSFRE-UHFFFAOYSA-N", "SMILES:CC(C)C1CCOc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GISKHXZSGACLCD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc31)NC(C1CCC1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQSPFQGFGSVTTC-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc31)NCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URBCFCHCJQINQC-NSHDSACASA-N", "SMILES:C[C@H]1COCc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECAYGOIQMGZQS-JTQLQIEISA-N", "SMILES:C[C@H]1COC(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCOBDJHXJUVKDY-UHFFFAOYSA-N", "SMILES:CC1COc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAWKLVJDUIOOTD-UHFFFAOYSA-N", "SMILES:CC1CCc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBTZFUBOYQFGT-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUUEXPGOQNCJE-VCIADJTKSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCRUPQNJIBWXBZ-FGJFIXQTSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CC(=O)NCC#CCN2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISFRQTFMQNZOJO-CYUWIZFFSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCC(=O)NCC#CCN2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVCEYIICUOCKC-XKXZFCBOSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCCC(=O)NCC#CCN2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXQTTVWGUVASK-KQKAFOQPSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCCCC(=O)NCC#CCN2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPZXQYEMGJRTL-UOWLFLJMSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCCCCCC(=O)NCC#CCN2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYCFCSSDOTXNM-GWJPWHDNSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)/C=C/C(=O)NCC#CCN2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQCLQUEAWSSHO-VXBHPOKISA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)/C=C/C(=O)N2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVILDGDDHHLSGF-CYUWIZFFSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)C2(C(=O)NCC#CCN3CCN(CC#Cc4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQBVRALQOTAKM-VCIADJTKSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)C2(C(=O)N3CCN(CC#Cc4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNTYMXLWIFLNK-GSYKJPBBSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)NCC#CCN2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSGEEWGJSYGNE-JTZYHPENSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYZQYSDHRCIRT-ZJUQMPHVSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)NCC#CCN3CCN(CC#Cc4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCABTPQVQUMNRP-VDPPVSKHSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)N3CCN(CC#Cc4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJBJKUHJYCNMD-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCOCCNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDUPETHSNLCFNB-HHHFUCLFSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C(=O)CCCCCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2cc(C)no2)C(C)C)c2ccc(-c3scnc3C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDUPETHSNLCFNB-XVLQSPLHSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C(=O)CCCCCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](c2cc(C)no2)C(C)C)c2ccc(-c3scnc3C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOXAJUYXNFGURN-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCOCCNc2ccc3c(c2)C(=O)N(C2CCC(=O)N(C)C2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGHFIWNYWFTLIJ-HTRMHDHBSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFLGZKQGWZVON-KCHLEUMXSA-N", "SMILES:N=C(N)NCC1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CCC(=O)Nc2cccc(-c3cnco3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXOUXWWKTWFKCQ-BBACVFHCSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NCCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEHVMMQDNQHWED-IKIDTFQCSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCC[C@H]1[C@@H](O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NCCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYZMTHVWCJUGC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2ccc(-c3c[nH]nc3-c3ccncc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCVMXZDTSCVME-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3c[nH]nc3-c3ccncc3)cc2)ccc(S(N)(=O)=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTZZUELNWARHHF-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(N)(=O)=O)cc1-c1ccc(-c2c[nH]nc2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSWVYHFTVIMFIX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2ccc(-c3c[nH]nc3-c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGARPIDHOFUNT-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYFQJXSTRIPAOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(N)(=O)=O)cc1-c1ccc(-c2c(-c3ccncc3)n[nH]c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDIMOBIUHONWRZ-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2ccc(S(N)(=O)=O)c(C)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNJVXCNPCBDCRT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c(C)c2-c2ccc(-c3ccc(S(N)(=O)=O)c(C)c3C)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXJROUNDJLRHV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c(C)c2-c2ccc(-c3ccc(S(N)(=O)=O)c(C)c3C)cc2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZVCVAXFWVCKGO-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccnc(N3CCOCC3)c2)c1-c1ccc(-c2ccc(S(N)(=O)=O)c(C)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWOAMPJEASGND-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(-c3c[nH]nc3-c3ccnc(N4CCOCC4)c3)cc2)ccc(S(N)(=O)=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZIYQCFTIACOFU-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMFTTOLZFXYOB-UHFFFAOYSA-N", "SMILES:Cc1cc(S(N)(=O)=O)cc(-c2ccc(-c3c(-c4ccncc4)n[nH]c3C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGECWGQWQVBMPM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c(C)c2-c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPAWSFKXOLPTPM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]cc2-c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJLHWROJXCIDE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2ccc(-c3c(-c4ccncc4)n[nH]c3C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJOKPCNVMCTCD-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccnc(N3CCOCC3)c2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXPQVTUKVQLXBK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2ccc(-c3c[nH]nc3-c3ccnc(N4CCOCC4)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLKSJWPFLMPHCZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c(C)c2-c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUQYHRCIONRYIW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]cc2-c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDLOPPAIKYGOGS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c(C)c2-c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGWMFTZBMNPELG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]cc2-c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWXZDCRTGGFFN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSADSSMZPDBSA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(S(N)(=O)=O)c2)ccc1-c1c(-c2ccncc2)n[nH]c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHAWERSRDFGFT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNLRYKODDKSIL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYJZLHNLQROYAG-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDUTXMPNQGZAQ-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJJNUBHBTLEDHZ-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2c[nH]nc2-c2ccncc2)ccc1-c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWRYNBRCWCJRD-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXNVMSTYUKSGM-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMMSZCZSOKUHOX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGZBFJWFSOJKDU-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCHYVKZUQDUIR-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1cc(F)c(-c2cccc(S(N)(=O)=O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRXZEAZXVNKPBH-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFMLEOTUGGRUNG-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXUQSDQVZKMKJJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)cc(C)c1-c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UURKAWJUJKCQFN-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWAOLQIWVBZQLW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c(C)c2-c2ccc(-c3cccc(S(N)(=O)=O)c3)c(C3CC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEVGXZNIRSQQAE-KRWDZBQOSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(Cc1cc[nH]n1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAYZGGHMUMJEQB-SFHVURJKSA-N", "SMILES:NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAZDFUQGUJOVLR-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(CCC(N)=O)C(=O)CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFDKLEKNOWSPFG-KRWDZBQOSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(Cc1c[nH]cn1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUJHQSHWRKZNKS-ZVAWYAOSSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(CC1CCCNC1=O)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRFTKVQMJBDFI-DJNXLDHESA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(CC1CCNC1=O)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDQMDCLDZNPIX-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(CCC(N)=O)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIUSQYHRHFTRT-SFHVURJKSA-N", "SMILES:NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSRVQKJWVNPGQ-PKOBYXMFSA-N", "SMILES:NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1)C(=O)[C@@H](F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSRVQKJWVNPGQ-HKUYNNGSSA-N", "SMILES:NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1)C(=O)[C@H](F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCLMUQPEFGEEP-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAFLFCJAOKBHAW-RDJZCZTQSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAFLFCJAOKBHAW-WBVHZDCISA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBHFYNKGPHTHJ-AWEZNQCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2cnccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZLHDWMUPSOCT-SFHVURJKSA-N", "SMILES:NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBIAYIJPUBZDIZ-AWEZNQCLSA-N", "SMILES:Cc1cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)NN(CCC(N)=O)C(=O)CCl)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTICDXGHZUTUJO-UHFFFAOYSA-N", "SMILES:Cc1nc(COc2cccnn2)sc1-c1csc(-c2cc(F)c3[nH]nnc3c2)n1"]}
{"name": "Bisphosphoglycerate mutase", "xref": ["CHEMBL.TARGET:CHEMBL5169112"], "id": "UniProtKB:P07738", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLMWSAXEVXLHD-UHFFFAOYSA-N", "SMILES:Cc1cnc(OCc2nc(C)c(-c3cccc(-c4cc(F)c5nn[nH]c5c4F)n3)s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULUGESPJIZQSJ-UHFFFAOYSA-N", "SMILES:Cc1nc(COCC(C)(C)O)sc1-c1cccc(-c2cc(F)c3nn[nH]c3c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEWBODJQASUDNH-UHFFFAOYSA-N", "SMILES:Cc1nc(COc2ncccn2)sc1-c1csc(-c2cc(F)c(O)c(F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQJQNYQNOJODBF-UHFFFAOYSA-N", "SMILES:Cc1nc(COc2ncccn2)sc1-c1cccc(-c2ccc(-c3noc(=O)[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOAMTMWSCZXCB-UHFFFAOYSA-N", "SMILES:COC(=O)NCc1nc(C)c(-c2csc(-c3cc(F)c4[nH]nnc4c3F)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXJIGVSRMLIKP-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(C)c2c(NCc3ccccc3)nncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NITRYQLITNTCTJ-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccccc2)c2cnnc(NCc3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGCMNQAPWXRRM-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccccc2)c2cnnc(N3CCOCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMECWJGCTQNYAG-UHFFFAOYSA-N", "SMILES:CC(C)c1c2cnnc(NCc3ccccc3)c2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYBKMYRXKUZSF-UHFFFAOYSA-N", "SMILES:Cn1nc2c(NCc3ccccc3)nncc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVPKGPGDAYFPG-UHFFFAOYSA-N", "SMILES:Cn1nc2c(N3CCOCC3)nncc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSPRURQRZURLJ-DVRVPOOOSA-N", "SMILES:Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cnc(OCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXYKBJSGCEYSL-AYTRYJACSA-N", "SMILES:Cc1ncc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cnc(OCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXLJWRSHVGHZOJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C(C)C)cccc3C(C)C)c3nc(-c4cc(O)cc5ccccc45)c(Cl)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMXJKTZZNXKQDL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDPDJAWHWVZIV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(N)cccc4F)c(Cl)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVEKXRMWESNOSE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(F)ccc(F)c4O)c(Cl)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDYGOJVDYLBRAE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccc(Cl)c4Cl)c(Cl)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGOCTGCGXRJDQF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(Cl)ccc5c4OCO5)c(Cl)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXSHQSVUICWYDD-MSOLQXFVSA-N", "SMILES:Cc1nc(NC(=O)C(C)C)sc1C(=O)NC[C@H](C(=O)N[C@@H]1C(=O)N2CCCN2Cc2ccccc21)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRBVYOSRVABBQS-BEFAXECRSA-N", "SMILES:Cc1nc(NC(=O)C(C)C)sc1C(=O)NC[C@@H](C)C(=O)N[C@@H]1C(=O)N2CCCN2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURXADLXPPJQQW-ZHRRBRCNSA-N", "SMILES:CC(C)C(=O)Nc1cc(NC(=O)C[C@@H](C)C(=O)N[C@@H]2C(=O)N3CCCN3Cc3ccccc32)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYKMFPSOYVZXGA-OFVILXPXSA-N", "SMILES:CC(C)C(=O)Nc1cc(NC(=O)C[C@H](C(=O)N[C@@H]2C(=O)N3CCCN3Cc3ccccc32)C2CCC2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDEZTEVFGLFHFD-KDOFPFPSSA-N", "SMILES:CC(C)C(=O)Nc1nc(Cl)c(NC(=O)C[C@@H](C)C(=O)N[C@@H]2C(=O)N3CCCN3Cc3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABCXEHSEVZQEED-SZNDQCEHSA-N", "SMILES:C[C@H](CC(=O)Nc1cc(C(=O)NCC(F)F)nn1C)C(=O)N[C@@H]1C(=O)N2CCCN2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYJPKCQEUFZMQC-POQFIVKRSA-N", "SMILES:COc1ccc2c(c1-c1cc(F)c(O)c(NCC(C)C)c1)CCN(C(C)c1ccc(C(C)C)cc1)[C@@H]2C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEOUFSBPBRXHCU-GFOWMXPYSA-N", "SMILES:COc1ccc2c(c1-c1cc(C)c(O)c(F)c1)CCN(C(C)c1ccc(C(C)C)cc1)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJHCMWASDDRJES-UHFFFAOYSA-N", "SMILES:COCC1Cc2c(ccc(OC)c2-c2ccc(O)c(C)c2)CN1Cc1ccc(C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEOYBKKSWUSBR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2ccccc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5194954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFHTYIOTDUYKY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(=O)c2cccc(F)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVDFNWHKSGYEGY-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1c[nH]c2c(F)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXQWOPXWYYXSO-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1c[nH]c2cc(N(C)C)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXXWULRXBDECGA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1c[nH]c2ccc(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDZRJWPLRUTIV-UHFFFAOYSA-N", "SMILES:O=c1c(S(=O)(=O)c2ccccc2)c[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPCFAQSWZIPDRS-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc2c(=O)c(S(=O)(=O)c3ccccc3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFYMPVNBKMYBEX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(=O)c2cccc(C(=O)OCC)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFSWCWNNDCXNX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c[nH]c2c(C(=O)OCC)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECKJRUALBXWFS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c[nH]c2ccc(N(C)C)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILNJBIQQAIIMEY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc2ccccc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5190869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOQMVWHXOYKAQM-UHFFFAOYSA-N", "SMILES:O=C(O)c1c[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSIBGVUMFOSJPD-CFDPKNGZSA-N", "SMILES:CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CC[N@@](C2)[C@@H]13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5202868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAUCDOKTMDOIPF-MXCFBCNJSA-N", "SMILES:CC[C@H]1C[C@@H]2CC3c4[nH]c5ccc(O)cc5c4CCN(C2)[C@H]31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5207655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCINYOPLVAFQAJ-GOVYDOAXSA-N", "SMILES:CCOc1ccc2[nH]c3c(c2c1)CCN1C[C@@H]2C[C@H](CC)[C@H]1[C@H]3C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGDZLXYMYYGBPG-BAGFXWCHSA-N", "SMILES:CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(C#N)cc5c4CCN(C2)[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRLCVRYKAFDXKU-YGOSVGOTSA-N", "SMILES:CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@H]13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5201219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGQJDWIMJPUFD-AHMDFLBRSA-N", "SMILES:CC[C@H]1C[C@@H]2C[C@H]3c4c(c5ccccc5n4C)CCN(C2)[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZIPIZQXYGKJCX-MKKLKVPQSA-N", "SMILES:CC[C@H]1C[C@@H]2C[C@H]3c4c(c5cc(OC)ccc5n4C)CCN(C2)[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJKPXFJUAJWME-JTWBLITDSA-N", "SMILES:CC[C@H]1C[C@@H]2C[C@H]3c4c(c5cc(O)ccc5n4C)CCN(C2)[C@@H]13.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFFOSJJSWQGUJG-SLGAXEFGSA-N", "SMILES:CC[C@H]1C[C@@H]2C[C@H]3c4c(c5cc(C#N)ccc5n4C)CCN(C2)[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULSMSLMIAUKMH-ZEVBXJOLSA-N", "SMILES:CCc1ccc2c(c1)c1c(n2C)[C@@H]2C[C@H]3C[C@H](CC)[C@@H]2N(CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGGCDZHRXCXRK-YOIREGSWSA-N", "SMILES:CC[C@H]1C[C@@H]2C[C@H]3c4c(c5cc(O)ccc5n4CC)CCN(C2)[C@@H]13.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIUZJPQISPNITN-NXXNRAFRSA-N", "SMILES:CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(OC)c(Br)c5c4CCN(C2)[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZANWHYBACCOM-WSCWJOSJSA-N", "SMILES:CC(C)(O)CNC[C@@H]1[C@@H]2C[C@@H]2CN1c1ncc(Cn2cc(NC(=O)c3cncc(-c4c(C(F)F)ccc(Cl)c4F)n3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKVGTSODHDMSCC-UHFFFAOYSA-N", "SMILES:CN(CC1CCCN1c1ncc(Cn2cc(NC(=O)c3cncc(-c4c(C(F)F)ccc(Cl)c4F)n3)cn2)cn1)CC1(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZXKBBPFAOQBPA-VQTJNVASSA-N", "SMILES:O=C(Nc1cnn(Cc2cnc(N3CCC[C@H]3CN3CC[C@@H](O)C3)nc2)c1)c1cncc(-c2c(C(F)F)ccc(Cl)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRBMPPGWRBAPAC-WIVCMICYSA-N", "SMILES:C[C@H](CO)NC[C@@H]1[C@@H]2C[C@@H]2CN1c1ncc(Cn2cc(NC(=O)c3cncc(-c4c(C(F)F)ccc(Cl)c4F)n3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTDMCPWTWDFEH-JGZNSJETSA-N", "SMILES:CC1(O)CCN(C[C@@H]2CCCN2c2ncc(Cn3cc(NC(=O)c4cncc(-c5c(C(F)F)ccc(Cl)c5F)n4)cn3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBKBASFVQMBKM-WSCWJOSJSA-N", "SMILES:CC1(O)CN(C[C@@H]2[C@@H]3C[C@@H]3CN2c2ncc(Cn3cc(NC(=O)c4cncc(-c5c(C(F)F)ccc(Cl)c5F)n4)cn3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCQVMEZJUYKXQS-QFYYESIMSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nc3ccccc3[nH]2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYYBPOBBZQPQM-MGPLVRAMSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2c2nc3ccccc3[nH]2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWADSLRJZHARC-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccccc3)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSDBEUQHEKRXRM-MGPLVRAMSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2c2nc3cc(Cl)ccc3[nH]2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIHVZUJKJMKXIT-LKFCYVNXSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2c2nc3cc(Cl)cnc3[nH]2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFVJSMSDYJBDR-RMLUDKJBSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2c2nc3nc(Cl)ccc3[nH]2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPCOMZUFDSQYDC-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Cl)cc3)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBXLWBHLRKESD-ZBEGNZNMSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Cl)cc3F)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEQKQUWWXQCLHI-GUYCJALGSA-N", "SMILES:COc1ccc(-c2nnc(N[C@@H]3C(=O)NC[C@H]3c3c(F)cc(OC)cc3F)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZUBSJPMWAWOJ-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(OC(F)(F)F)cc3)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBHVHJQPGHZAH-HOCLYGCPSA-N", "SMILES:COc1ccc([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Cl)cc3)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLXXDFFURYRHA-HOTGVXAUSA-N", "SMILES:COc1ccc([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Cl)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQXYNRFYAKLFH-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2noc(-c3ccc(Cl)cc3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTWLQIUWOKGNLV-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nc(-c3ccc(Cl)cc3)no2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOEUPAGSWHQKAA-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Cl)cc3)s2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSQAFHDNXKNONB-UGSOOPFHSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2ncc(-c3ccc(Cl)cc3)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSRNQXXNCQBFOK-DJJJIMSYSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2cc(-c3ccc(Cl)cc3)on2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBQIOUGPINNZBH-DJJJIMSYSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2cc(-c3ccc(Cl)cc3)no2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBGOFGITDNESDT-UHFFFAOYSA-N", "SMILES:O=C(NC1CN2CCC1CC2)c1cc2cc(Cl)cc(-c3ccccc3OCCF)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXWQDFNNOLBVAK-UHFFFAOYSA-N", "SMILES:CCCCOc1ccccc1-c1cccc2cc(C(=O)NC3CN4CCC3CC4)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLULQHXOQUZJLL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cnccc2n1)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCTCLAYBQAOZJL-UHFFFAOYSA-N", "SMILES:CCCOc1ccccc1-c1cccc2cc(C(=O)NC3CN4CCC3CC4)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVANEXPBWDHVOM-CALCHBBNSA-N", "SMILES:CC(C)Oc1ccc(C#N)cc1-c1cc(Cl)cc2cc(C(=O)N[C@H]3C[C@@H](O)C3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULGBDVGBFRPXRT-LSDHHAIUSA-N", "SMILES:N#Cc1ccc(Cl)c(-c2cccc3cc(C(=O)N[C@H]4CC[C@@H](O)C4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIIWFDOFEHUZBO-MJZPDBNDSA-N", "SMILES:O=c1ccc2ncc(F)c3c2n1CC3C[C@H]1OC[C@H](NCc2ccc3c(c2)OCCO3)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGQBAIMBSYHIS-QZFOBCSGSA-N", "SMILES:O=c1ccc2ccc(F)c3c2n1CC3C[C@H]1OC[C@H](NCc2ccc3c(c2)OCCO3)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNQJYZBAZZOXJZ-QNOHLQOMSA-N", "SMILES:O=c1ccc2ncc(F)c3c2n1CC3C[C@H]1OC[C@H](NCc2cc3c(cn2)OCCC3)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKVHDDZQOIVFJG-LRQVYLBJSA-N", "SMILES:O=c1ccc2ccc(F)c3c2n1CC3C[C@H]1OC[C@H](NCc2cc3c(cn2)OCCC3)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGVXAOOUMDQJAR-CATHIWNASA-N", "SMILES:O=c1ccc2ccc(F)c3c2n1CC3C[C@H]1OC[C@H](NCc2cc3c(nn2)OCCS3)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTODKLZFABOOOA-CWJUMGKGSA-N", "SMILES:O=C1COc2ccc(CN[C@H]3CO[C@H](CC4Cn5c(=O)ccc6ncc(F)c4c65)OC3)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQAFIJPUNMKZDL-OKIHYQJDSA-N", "SMILES:O=C1COc2ccc(CN[C@H]3CO[C@H](CC4Cn5c(=O)ccc6ccc(F)c4c65)OC3)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSOXFNMLZYNTB-CWJUMGKGSA-N", "SMILES:O=C1CSc2ccc(CN[C@H]3CO[C@H](CC4Cn5c(=O)ccc6ncc(F)c4c65)OC3)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNNSKVJGGYSCCZ-JTZHVSCKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBHWZBZPVLEITA-DMQSKOQASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBJXFPXAYGBVKY-RBUQYJTASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHEHKBQEVGFEPF-QISHOAFXSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXBLXIVLFXAAK-AVUQFRJPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJFUPPGIOEABR-XWCQLPRDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXGVQXKSRMYFX-OLZBSDMXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2cc(F)c(F)c(F)c2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNYBKACMUGGKAI-AVUQFRJPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBVWNJQSHTDAC-VCYVZEEGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cscn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRUVEINTVHQQG-XJPVBFIYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[C@H](COC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPXHISISQQVTLC-BIUOMKJDSA-N", "SMILES:C=CCO[C@H]1CCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)NC(=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXJGPXJMFGPOC-DFFBEYLDSA-N", "SMILES:C=CCO[C@H]1CCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)NC(=O)[C@H](CC3CCC3)NC(=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXUBHHHIXIUVDV-XXUUABCDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URKCYIFGMNUIQJ-QLQUPYGOSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC2CCC2)NC(=O)[C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRPHBGJGYPUWOH-UPWGGSGZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXFQPEIROZRXJI-BGZAKGOYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWBPBCHANQNQSJ-AGQUMJSNSA-N", "SMILES:CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDYMWZBMXNESN-NFTWJGKGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCC#N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKKEAGFUCCIRE-UKHJDZQCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@@H]2[C@@H](C)CCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVUKEMUENPMIK-CCWBTXDNSA-N", "SMILES:CCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](OCC(=O)O)CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHURFFPWLSDAK-SZHSNNHUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H]2C[C@H](OCC(=O)O)CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPVMRHSEVHBAHF-MLNVAFRMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2C[C@H](OCC(=O)O)CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLOERICBKFCLT-IJNPNXFYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQVWTNATRRZII-FOKOACOQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@@H](c3ccccc3)CCN2CC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNJJOEPJCLFCOY-JPAHCMANSA-N", "SMILES:C=CC[C@H]1CCN2CC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMILEDVLYQQFCU-DZKKRDKRSA-N", "SMILES:CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@@H](c3ccccc3)CCN2CC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBSSHIKVSNTGE-VSUBAPHHSA-N", "SMILES:C=CC[C@H]1CCN2CC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCCC)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQPIXFEFKTHCE-XUWBOYEDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@H](c3ccccc3)CCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN=[N+]=[N-])NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFOVXAUJTBRTIG-UTUCMRGLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@H](c3ccccc3)CCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEWEDGJMHIKGE-GAXNGBBSSA-N", "SMILES:CC(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@@H](c3ccccc3)CCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYHIDLVPAGVHHF-OKILXGFUSA-N", "SMILES:COc1ccc(-c2cn([C@H]3CC[C@@H](N)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZVEZJHKLNZAH-IYBDPMFKSA-N", "SMILES:COc1ccc(-c2cn([C@H]3CC[C@@H](NC(C)=O)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOFQZZWVEXBQQB-IYBDPMFKSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](n2cc(-c3ccc(OC)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVIFZUFDJXXPOE-CALCHBBNSA-N", "SMILES:CCCC(=O)N[C@H]1CC[C@@H](n2cc(-c3ccc(OC)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSDICEFIBKSLRG-CALCHBBNSA-N", "SMILES:COc1ccc(-c2cn([C@H]3CC[C@@H](NC(=O)C(C)(C)C)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFISQKIDZYCMCN-BGYRXZFFSA-N", "SMILES:COc1ccc(-c2cn([C@H]3CC[C@@H](NC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVMLEMNBWSNSC-VHRNVKJDSA-N", "SMILES:COc1ccc(-c2cn([C@H]3CC[C@@H](NC(=O)C(C)Cl)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTWVZWHRYDPHL-CALCHBBNSA-N", "SMILES:C=CCN[C@H]1CC[C@@H](n2cc(-c3ccc(OC)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOIBREKTSIJEFY-OKILXGFUSA-N", "SMILES:COc1ccc(-c2cn([C@H]3CC[C@@H](NS(=O)(=O)C(F)(F)F)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGTJWRHQKRUAPW-IYBDPMFKSA-N", "SMILES:COc1ccc(-c2cn([C@H]3CC[C@@H](NCC#N)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMVHKZFLUNUQOH-BGYRXZFFSA-N", "SMILES:COc1ccc(-c2cn([C@H]3CC[C@@H](NCc4cccc(OC(F)(F)F)c4)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZFGSSIGBONSOW-OYRHEFFESA-N", "SMILES:COc1ccc(-c2cn([C@H]3CC[C@@H](NCc4ccccc4)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFBPJDUPJOSDN-BETUJISGSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(O)cc1)cn2[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTLOUJULONJFMR-OKILXGFUSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(F)cc1)cn2[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNIFBCOXLALLK-OKILXGFUSA-N", "SMILES:Nc1ncnc2c1c(-c1cccc(F)c1)cn2[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDGUMUTEDAAAO-TXEJJXNPSA-N", "SMILES:Nc1ccc(-c2cn([C@H]3CC[C@@H](N)CC3)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPFXUGQUULNZPF-BETUJISGSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3c(c1)OCO3)cn2[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDMQWCYTRZDFQN-OKILXGFUSA-N", "SMILES:Nc1ncnc2c1c(-c1cccc(Cl)c1)cn2[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVPWOWNCVJYDQ-OKILXGFUSA-N", "SMILES:Nc1ncnc2c1c(-c1ccccc1)cn2[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNFCMGBNRFGQAB-GASCZTMLSA-N", "SMILES:Cc1ccc(-c2cn([C@H]3CC[C@@H](N)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJAOBFDYXAEUOP-GASCZTMLSA-N", "SMILES:Cc1cccc(-c2cn([C@H]3CC[C@@H](N)CC3)c3ncnc(N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDHLLXZVWHZEOH-OKILXGFUSA-N", "SMILES:Cc1ccccc1-c1cn([C@H]2CC[C@@H](N)CC2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBSTCDZKUSVOY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccncc3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKYHEJWWIBREA-BETUJISGSA-N", "SMILES:Cc1ccc(-c2cn([C@H]3CC[C@@H](N)CC3)c3ncnc(N)c23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPHHGQKYHIHLS-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2cc(-c3ccc(Cl)c(Cl)c3)sc2C(=O)O)cc1"]}
{"name": "Energy-coupling factor transporter transmembrane protein EcfT", "xref": ["CHEMBL.TARGET:CHEMBL5169211"], "id": "UniProtKB:A0A510WMC0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1582"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGQAQWYLQMTGPE-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPPLGJICEUKDID-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOBKQRYHDXDWPQ-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSQJZRZMNNKABQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOHAKZSMYYMRD-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUJITBFNYCRYFM-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYYRZQICJKXFW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccn1)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJDWOBTUIMLORJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEOYXTWCYDQUSP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDVVRBAAQKVASM-UHFFFAOYSA-N", "SMILES:CN(C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRLSXOMQUZLUSH-UHFFFAOYSA-N", "SMILES:CCN(C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOATEPFHJWOLZ-UHFFFAOYSA-N", "SMILES:CCCCN(C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUAVZHMGVWFGI-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGGTLRCGUPNOY-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAPSIKBBVMYKNM-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSAXUMBGMINTST-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWOBYGNDHRRQNU-UHFFFAOYSA-N", "SMILES:O=C(O)c1sc(-c2ccc(Cl)c(Cl)c2)cc1NC(=O)N(Cc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3706647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASEGFHJTKLPSGA-UHFFFAOYSA-N", "SMILES:O=C(O)c1sc(-c2ccc(Cl)c(Cl)c2)cc1NC(=O)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTLUODHJYALFCV-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIYJYERWZFMHOP-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Nc1cc(-c2cc(Cl)ccc2Cl)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEMYWGCWAHZGH-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Nc1cc(-c2ccc(Cl)c(C(F)(F)F)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXUXYEPEOVIAPZ-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMDKLDFBCDQOFZ-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Nc1cc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VASQWRWBOYDDAC-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDUYNDMSQPRRBK-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Br)cc2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPRNAXVGCKFZCU-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMFIMKMXDIPTKO-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Oc3ccccc3)cc2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBYJPVQILDNFY-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Nc1c(-c2ccc(Cl)c(Cl)c2)csc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFUMGURSGKKGNN-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Nc1scc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBFXIYWYCQLCT-UHFFFAOYSA-N", "SMILES:CCCCCCNc1c(-c2ccc(Cl)c(Cl)c2)csc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZXJRQJGWUSBG-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Nc1c(C(=O)O)cccc1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKGKOGXWALZVDZ-UHFFFAOYSA-N", "SMILES:CCCCN(C(=O)Nc1c(-c2cc(Cl)ccc2Cl)csc1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSMKJGMQUATKA-UHFFFAOYSA-N", "SMILES:CCCCN(C(=O)Nc1c(-c2ccc(Oc3ccccc3)cc2)csc1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URXPMJOIEGWCKF-UHFFFAOYSA-N", "SMILES:O=C(Sc1nncs1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXDSBLAFFOUPTJ-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDLPUFRZOTZBI-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2cccc3[nH]ccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOLUTQVYFADSS-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2ccc3[nH]ccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLYZJOMQIAZCF-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2ccc3cc[nH]c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIHLPCBXKMIEDG-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2cccc3cc[nH]c23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTCHAVBKCVHQH-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2cc3ccccc3n2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLXKYZJZGKCIP-UHFFFAOYSA-N", "SMILES:CSc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYIUKWUUXPIGPN-UHFFFAOYSA-N", "SMILES:COc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSISSHDAZOWJY-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSWEKKCANWZDG-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)n1C(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKEUTYNAGMHFPC-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2cc3ccccc3o2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBBMCAXHKLWKAB-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2ccc(Br)o2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4855437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQKKRYLSJORGF-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2ccc(-c3ccccc3)o2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBKCBYWSUOLQKC-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2ccc(C#Cc3ccccc3)o2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZEPNXZTEBTIET-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2ccc(-c3ccccc3)[nH]2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAKSIAKFNDBWPL-UHFFFAOYSA-N", "SMILES:Cc1nnc(SC(=O)c2ccc3ccccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNFJWTCLKULUSB-UHFFFAOYSA-N", "SMILES:O=C(Sc1ncccn1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGGWSKNVQDVLA-UHFFFAOYSA-N", "SMILES:Cc1ccnc(SC(=O)c2cc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVWPRGRPGGACU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SC(=O)c2cc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBLPIBQVEVGXEC-UHFFFAOYSA-N", "SMILES:O=C(Sc1ncccn1)c1ccc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSFOOZWBMNWOTK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SC(=O)c2ccc(C#Cc3ccccc3)o2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLAKGGNEFPAGDQ-UHFFFAOYSA-N", "SMILES:O=C(Sc1ncccn1)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHGPGIQPWAONQ-UHFFFAOYSA-N", "SMILES:O=C(Sc1ncccn1)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAROBJLFOHZQI-UHFFFAOYSA-N", "SMILES:O=C(Sc1ncccn1)c1ccc(-c2ccc(Br)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEKXORRZBWQMCT-UHFFFAOYSA-N", "SMILES:O=C(Sc1ncccn1)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGXNJCBIWEVBB-LBPRGKRZSA-N", "SMILES:COc1ccc2cc([C@H](C)C(=O)Sc3ncccn3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKAJWKZWHHWTI-UHFFFAOYSA-N", "SMILES:O=C(Sc1nc2ccccc2s1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKWZOZDJIADAD-UHFFFAOYSA-N", "SMILES:O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZQFKMHJCKWDJN-UHFFFAOYSA-N", "SMILES:O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccc(Br)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPAROKKEELGGEB-UHFFFAOYSA-N", "SMILES:O=C(Sc1nc2ccccc2s1)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFZDFJKGAIOGC-UHFFFAOYSA-N", "SMILES:O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IONDHPFUSSUCRQ-UHFFFAOYSA-N", "SMILES:O=C(Sc1nc2ccccc2s1)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSZJNSICHFHMA-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGTDTRRECQYDFW-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAXLXKIAKIUDT-UHFFFAOYSA-N", "SMILES:Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPJIXTYHIAVGY-UHFFFAOYSA-N", "SMILES:O=C(NCCN1C(=O)C=CC1=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFNPYZGKHGERJ-UHFFFAOYSA-N", "SMILES:CC(O)CSc1nc(NCc2ccc(-n3cccn3)cc2)c2n[nH]c(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKVACARDGYEMU-VWLOTQADSA-N", "SMILES:Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKVAJBRQGBRHIK-ZHZULCJRSA-N", "SMILES:CCO/N=C1/c2ccccc2-c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTSNWQWXMSVHDR-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(cc1C#N)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKOWDIBLCDZJHF-NCELDCMTSA-N", "SMILES:N#Cc1nc2c(nc1C#N)-c1ccccc1/C2=N\\OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLOXSIKLUAMDGU-RCCKNPSSSA-N", "SMILES:C=CCO/N=C1\\c2ccccc2-c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQOAIJZQPUZEF-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)c(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXASBLCGPKVNJK-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCCNCC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTROMTAIDJZSLK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCCNCC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCURGSCLBDTMKT-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(N3CCCNCC3)cc2)oc2c(OC3CCCCC3)c(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYCNCUOBVIUQK-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCCNCC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLHYEJJMEGMATE-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCCC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFAUUVPQUZGST-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCOCC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZERHHZGNZEZIG-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCC(O)CC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBAHAZDNKLZSP-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCN(CCO)CC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCJMQSDEUZNHG-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N(CCO)CCO)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXBVJVBBNQUPFG-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCN(C)CC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUMIQUXPTHNLCR-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCN(C=O)CC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYFOTADFASOER-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCN(C(C)C)CC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCIYKBTWWFFKSP-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(-c3cc(=O)c4c(O)cc(O)c(Oc5c(C)n[nH]c5C)c4o3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIAYVSFZDGKOHI-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCN(CCO)CC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYDXDQDVASKZKZ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCN(C(=O)c5ccco5)CC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWOJNLRTJFWRQ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCN(c5ccccn5)CC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBHOZZXDUXCWRA-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCN(c5ccccc5)CC4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3580669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVWXFGRLNHCKNV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXPZKBYVPEULR-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFRBITWIOXMNQ-CQSZACIVSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXONWTYLDXUYAT-CYBMUJFWSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(F)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBPSQIDFQPUKG-CYBMUJFWSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(F)c3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AILFXWXHESIMPD-GFCCVEGCSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(F)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRVSFZKYQCETAH-OAHLLOKOSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJPKXMJSUPWNPX-CQSZACIVSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUPUYLLHTGZRRB-OAHLLOKOSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CCC(c3ccncc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZCZWMCVWVMSHB-MDZRGWNJSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CC[C@H](c3ccncc3)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZCZWMCVWVMSHB-FRQCXROJSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CC[C@@H](c3ccncc3)C[C@@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZCZWMCVWVMSHB-FCEWJHQRSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CC[C@H](c3ccncc3)C[C@@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZCZWMCVWVMSHB-GPMSIDNRSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CC[C@@H](c3ccncc3)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNOBOSIDWEVKC-JFIYKMOQSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)[C@H]2CC[C@H](c3ccncc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNOBOSIDWEVKC-NUJGCVRESA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)[C@H]2CC[C@@H](c3ccncc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMILURVWXSNJDE-IIZJSDIPSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)[C@H]2CC[C@H](c3ccncc3)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMILURVWXSNJDE-VXIWKAIFSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)[C@@H]2CC[C@@H](c3ccncc3)C[C@@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSIIZGBYLJBMN-OAHLLOKOSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CCN(c3ccncc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRQNQAIGKLBJFV-CQSZACIVSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CCN(c3ccncc3)C(=O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLYKEFWBHJQJPK-CQSZACIVSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CCN(c3ccncc3F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTESKQIPCVPXGS-CQSZACIVSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CCC(c3ccncc3F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGMAWGMZUXNCB-ZIAGYGMSSA-N", "SMILES:COc1ccc(F)c([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMENJZSFYJIYDH-ZIAGYGMSSA-N", "SMILES:COc1ccc(Cl)c([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBIGUIIBZSJSRE-ZIAGYGMSSA-N", "SMILES:COc1cc(F)cc([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGRFHIHEGACPLB-ZIAGYGMSSA-N", "SMILES:COc1cc([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNKTKFDGSSTCB-ZIAGYGMSSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUPOVKMYASDGY-HUUCEWRRSA-N", "SMILES:C[C@@H]1CN(c2ccncc2F)CCN1C(=O)N[C@H](C)c1cccc2nccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFGBSSJYGEUTQ-HUUCEWRRSA-N", "SMILES:C[C@@H]1CN(c2ccncc2F)CCN1C(=O)N[C@H](C)c1cccn2nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMOHQDAAGKYBKL-HUUCEWRRSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CCN(c3ccnc(F)c3)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNXARFFDNGUHF-HUUCEWRRSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CCN(c3ccncn3)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPXFTLGPVQJKN-HUUCEWRRSA-N", "SMILES:COc1cccc([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPJFFOUIYXUQC-ASTDGNLGSA-M", "SMILES:CC[N+](C)(C)CCOc1ccc(/C=C/c2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALTCHFUOYJHLAE-CALJPSDSSA-M", "SMILES:CC[N+](C)(CC)CCOc1ccc(/C=C/c2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257065", "category": ["biolink:ChemicalEntity"], "name": "STILONIUM IODIDE", "xref": ["InChIKey:RDTKUZXIHMTSJO-UEIGIMKUSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccccc2)cc1.[I-]"], "synonym": ["Stilonium iodide", "Iodure de stilonium", "Ioduro de estilonio", "M.G. 624", "MG-624", "Elvetil", "Stilonium iodide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALDQYAEGKTKSL-RRABGKBLSA-M", "SMILES:C[N+](C)(C)CCOc1ccc(/C=C/c2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJNJFYPKGUVPF-IERUDJENSA-M", "SMILES:C[N+](C)(CCOc1ccc(/C=C/c2ccccc2)cc1)C1CCCCC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOMVPNICAUUHMI-ZAGWXBKKSA-M", "SMILES:C[N+](CCOc1ccc(/C=C/c2ccccc2)cc1)(C1CCCCC1)C1CCCCC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAYONKYSJFJACM-GEEYTBSJSA-M", "SMILES:CC[N+](CC)(CCOc1ccc(/C=C/c2ccccc2)cc1)Cc1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVXRNIMLJFXSN-LTRPLHCISA-M", "SMILES:CC[N+](CCOc1ccc(/C=C/c2ccccc2)cc1)(Cc1ccccc1)Cc1ccccc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMCBNONVRIBTD-HRNDJLQDSA-M", "SMILES:C[N+](C)(CCOc1ccc(/C=C/c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCUKAGJWTVKND-UHDJGPCESA-M", "SMILES:C(=C/c1ccc(OCC[N+]23CCC(CC2)CC3)cc1)\\c1ccccc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRAWALNDVAFCJ-HRNDJLQDSA-M", "SMILES:C[N+]1(CCOc2ccc(/C=C/c3ccccc3)cc2)CCC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWXUOTSNAAEFIE-RRABGKBLSA-M", "SMILES:C[N+]1(CCOc2ccc(/C=C/c3ccccc3)cc2)CCCC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSZXGVWNMHYAK-ASTDGNLGSA-M", "SMILES:C[N+]1(CCOc2ccc(/C=C/c3ccccc3)cc2)CCCCC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBKSBGLUXMRSM-USRGLUTNSA-M", "SMILES:C[N+]1(CCOc2ccc(/C=C/c3ccccc3)cc2)CCOCC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFHLCSHBCIALQM-RRABGKBLSA-M", "SMILES:C(=C/c1ccc(OCC[n+]2ccccc2)cc1)\\c1ccccc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKGZARDRJYXEY-HRNDJLQDSA-M", "SMILES:C[N+]1(C)CC(Oc2ccc(/C=C/c3ccccc3)cc2)C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPBXVOBUWSAOS-HRNDJLQDSA-M", "SMILES:C[N+]1(C)CCC(Oc2ccc(/C=C/c3ccccc3)cc2)C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPBXVOBUWSAOS-ZKFIQTTMSA-M", "SMILES:C[N+]1(C)CC[C@H](Oc2ccc(/C=C/c3ccccc3)cc2)C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPBXVOBUWSAOS-BXZGFBCESA-M", "SMILES:C[N+]1(C)CC[C@@H](Oc2ccc(/C=C/c3ccccc3)cc2)C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEPFBBOIOUSHP-YEXHEYCPSA-M", "SMILES:CC[N+]1(C)CC[C@@H](Oc2ccc(/C=C/c3ccccc3)cc2)C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKZVTQDRLGKJKW-WOVYGAQSSA-M", "SMILES:CC[N+]1(CC)CC[C@@H](Oc2ccc(/C=C/c3ccccc3)cc2)C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREZKXBSCDYIDS-ASTDGNLGSA-M", "SMILES:C[N+]1(C)CCCC(Oc2ccc(/C=C/c3ccccc3)cc2)C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZSIDBQMKNPWAK-HRNDJLQDSA-M", "SMILES:C[N+]1(C)CCC(Oc2ccc(/C=C/c3ccccc3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBJZXRBCXKJCP-USRGLUTNSA-M", "SMILES:C[N+]12CCC(CC1)C(Oc1ccc(/C=C/c3ccccc3)cc1)C2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXIROMSFPNTIA-QCTSMGTKSA-M", "SMILES:C[N+]1(C)CCC[C@H]1COc1ccc(/C=C/c2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXIROMSFPNTIA-YFTZVAJPSA-M", "SMILES:C[N+]1(C)CCC[C@@H]1COc1ccc(/C=C/c2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAOTPVLMHRNED-OKULQAPRSA-M", "SMILES:CC[N+](C)(CC)[C@@H]1C[C@H]1Oc1ccc(/C=C/c2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAOTPVLMHRNED-NHIHCTNCSA-M", "SMILES:CC[N+](C)(CC)[C@H]1C[C@H]1Oc1ccc(/C=C/c2ccccc2)cc1.[I-]"]}
{"name": "Neuronal acetylcholine receptor subunit alpha-7", "xref": ["CHEMBL.TARGET:CHEMBL5169123"], "id": "UniProtKB:P22770", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"name": "tRNA (cytosine(38)-C(5))-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4523124"], "id": "UniProtKB:O14717", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOGVCAFRBSBRE-WFMPWKQPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISVTSUBJCPLSV-TWBCTODHSA-N", "SMILES:CN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1614837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAMUFACDOHMHSZ-OPYVMVOTSA-N", "SMILES:CCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGMXGYJIHZKLAI-UOYPZJKHSA-N", "SMILES:CC(C)N(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKZVKHOUCHFMBQ-YRGUDCOPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)CC2CC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXORYHXJIXGHG-URQYDQELSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)CC2CCC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUQFKNXHGDZDPF-BPAMBQHCSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)CC2CCCC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZKUBYNEGZOBO-UOYPZJKHSA-N", "SMILES:C=CCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGVUWJWRVIDOL-UOYPZJKHSA-N", "SMILES:C#CCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEZMSVVCQAGCSK-YRGUDCOPSA-N", "SMILES:CC#CCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACRZBOXAKRENTK-URQYDQELSA-N", "SMILES:CCC#CCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDRZUAEVMIGMZ-YRGUDCOPSA-N", "SMILES:C#CCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBFNHDPBAPBPTG-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQVSANGHXAVVSI-UQEZQTQMSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCc2ccccc2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUPIKZKLVSUKAU-FWMLXHAGSA-N", "SMILES:C#CC(C)N(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWQCJNFPRKGFDP-YRGUDCOPSA-N", "SMILES:C#CC(C)(C)N(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"name": "RNA cytosine C(5)-methyltransferase NSUN2", "xref": ["CHEMBL.TARGET:CHEMBL4739683"], "id": "UniProtKB:Q08J23", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "tRNA (cytosine(72)-C(5))-methyltransferase NSUN6", "xref": ["CHEMBL.TARGET:CHEMBL5169179"], "id": "UniProtKB:Q8TEA1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLLHILOPOQXRW-RKDXNWHRSA-N", "SMILES:N[C@@H]1C[C@@H]1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLLHILOPOQXRW-BDAKNGLRSA-N", "SMILES:N[C@H]1C[C@@H]1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDSGSRYSSNECI-HZGVNTEJSA-N", "SMILES:N[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDSGSRYSSNECI-MUWHJKNJSA-N", "SMILES:N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTCCXGUWMATUKA-HTRCEHHLSA-N", "SMILES:N[C@@H]1C[C@@H]1c1ccc(Br)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTCCXGUWMATUKA-SVRRBLITSA-N", "SMILES:N[C@H]1C[C@@H]1c1ccc(Br)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECUOTQOACDIOO-VXNVDRBHSA-N", "SMILES:N[C@@H]1C[C@@H]1c1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECUOTQOACDIOO-APPZFPTMSA-N", "SMILES:N[C@H]1C[C@@H]1c1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHFOSBMFYSVUSK-VXNVDRBHSA-N", "SMILES:N[C@@H]1C[C@@H]1c1ccc(Br)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHFOSBMFYSVUSK-APPZFPTMSA-N", "SMILES:N[C@H]1C[C@@H]1c1ccc(Br)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHCTZRIAMYAFMU-IYSWYEEDSA-N", "SMILES:N[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHCTZRIAMYAFMU-VDTYLAMSSA-N", "SMILES:N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUWSJVKVPNXAI-MLUIRONXSA-N", "SMILES:N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUWSJVKVPNXAI-ANLVUFKYSA-N", "SMILES:N[C@H]1C[C@@H]1c1cc(F)c(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEESSMHTAMEHGS-SVGQVSJJSA-N", "SMILES:N[C@@H]1C[C@@H]1c1cc(F)c(Br)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEESSMHTAMEHGS-XRGYYRRGSA-N", "SMILES:N[C@H]1C[C@@H]1c1cc(F)c(Br)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSUYPANSGZQON-MLUIRONXSA-N", "SMILES:N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSUYPANSGZQON-ANLVUFKYSA-N", "SMILES:N[C@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTHUNDRPMGKZPH-GMSGAONNSA-N", "SMILES:Cc1cc(Br)c(F)cc1[C@H]1C[C@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTHUNDRPMGKZPH-XCBNKYQSSA-N", "SMILES:Cc1cc(Br)c(F)cc1[C@H]1C[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRCWZYUCTJPWDL-GXTWGEPZSA-N", "SMILES:N[C@@H]1C[C@@H]1c1c(F)cc(Br)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRCWZYUCTJPWDL-JSGCOSHPSA-N", "SMILES:N[C@H]1C[C@@H]1c1c(F)cc(Br)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOFMQVJOFSLSH-VXNVDRBHSA-N", "SMILES:N[C@@H]1C[C@@H]1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOFMQVJOFSLSH-APPZFPTMSA-N", "SMILES:N[C@H]1C[C@@H]1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCSCAZEVIMQGV-VXNVDRBHSA-N", "SMILES:N[C@@H]1C[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCSCAZEVIMQGV-APPZFPTMSA-N", "SMILES:N[C@H]1C[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBAFNPTXZHEJKJ-GXTWGEPZSA-N", "SMILES:N[C@@H]1C[C@@H]1c1c(F)cccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBAFNPTXZHEJKJ-JSGCOSHPSA-N", "SMILES:N[C@H]1C[C@@H]1c1c(F)cccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURZVOFQNXOSDX-WCQYABFASA-N", "SMILES:N[C@@H]1C[C@@H]1c1c(OCc2ccccc2)ccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURZVOFQNXOSDX-AAEUAGOBSA-N", "SMILES:N[C@H]1C[C@@H]1c1c(OCc2ccccc2)ccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMWXKHXXPFGGO-SMDDNHRTSA-N", "SMILES:N[C@@H]1C[C@@H]1c1c(F)ccc(F)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMWXKHXXPFGGO-FZMZJTMJSA-N", "SMILES:N[C@H]1C[C@@H]1c1c(F)ccc(F)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFIWTIGSKKEYJB-ZIAGYGMSSA-N", "SMILES:N[C@@H]1C[C@@H]1c1ccccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFIWTIGSKKEYJB-KGLIPLIRSA-N", "SMILES:N[C@H]1C[C@@H]1c1ccccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTASVBUYVBQSH-VXNVDRBHSA-N", "SMILES:COc1ccc([C@H]2C[C@H]2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTASVBUYVBQSH-APPZFPTMSA-N", "SMILES:COc1ccc([C@H]2C[C@@H]2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDPOLWCVTWFBR-PSASIEDQSA-N", "SMILES:CCOc1ccc([C@H]2C[C@H]2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDPOLWCVTWFBR-SCZZXKLOSA-N", "SMILES:CCOc1ccc([C@H]2C[C@@H]2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQZURPQWHVABK-MUWHJKNJSA-N", "SMILES:N[C@H]1C[C@@H]1c1ccc(C(F)(F)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAEUDNDNDVWIAI-MLUIRONXSA-N", "SMILES:N[C@@H]1C[C@@H]1c1cc(F)c(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAEUDNDNDVWIAI-ANLVUFKYSA-N", "SMILES:N[C@H]1C[C@@H]1c1cc(F)c(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAAJOLVNKDABOE-CZUORRHYSA-N", "SMILES:COc1cccc(-c2cc(F)c([C@H]3C[C@H]3N)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAAJOLVNKDABOE-CJNGLKHVSA-N", "SMILES:COc1cccc(-c2cc(F)c([C@H]3C[C@@H]3N)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWNKUUCRZQVTHP-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFCXPGVHRBRGCL-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRCHHOBUKCWDEV-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKOTYLIRWRFADJ-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKADGSKSFBAGRU-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGWUMADKGYJTJD-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROQQXMSADWNTHG-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBQPLWOCHOTEZ-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRCKLGRKPLKLF-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(Cc3nnc(Cc4cc(Cl)cc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGQSCHSKCCJEJ-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(Cc3nnc(Cc4cccc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDZZSYBRKFPWJN-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBYFPGWORQRTN-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRMZYZYVRKSGFD-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYTBRIRSAAUYTD-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXGWXMNHVMSTO-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNFOTRBMKLHQAQ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMDSJLOXOXMHN-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAIZXCXOWVPIB-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUUYYGBYRVBMCY-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOCQTKJNMPPTJU-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYGJAUWVCVBHP-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTGLFQLCRVCJCI-UHFFFAOYSA-N", "SMILES:NCCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBUYKQPPGSFJT-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVEJCJVWRORYPM-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGBRZLZIMYQONO-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMBCXHABJNEBE-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRYEKCADGLSOA-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVYOKPXOCBBJJW-UHFFFAOYSA-N", "SMILES:Fc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXHRFTUOOARPQ-UHFFFAOYSA-N", "SMILES:Brc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEDOGMWTTGSNIB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPJQABBBCQFHE-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXOFADKRDXDBGM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBHHYXZZVWUQOJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSNGENSKDWUNV-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTJYGUEEBOGIQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDLQIWBRSYXSBW-UHFFFAOYSA-N", "SMILES:c1ccc(COc2cccc(Cc3nnc(CCc4c[nH]c5ccccc45)n3CCCc3c[nH]cn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDQCXYLWMPOTMJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVOYAUVXMOTJN-UHFFFAOYSA-N", "SMILES:Cn1cc(CCc2nnc(Cc3ccc(Cl)c(Cl)c3)n2CCCc2c[nH]cn2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRRZWWOOMULOIA-UHFFFAOYSA-N", "SMILES:Cn1cc(CCc2nnc(Cc3cccc(C(F)(F)F)c3)n2CCCc2c[nH]cn2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUTZBIFVIDRGL-UHFFFAOYSA-N", "SMILES:c1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQFROSWZZEHKA-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSIKZVSFFLQCJ-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMHKCNROBSSABU-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNWKRTWKYDLFJC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGBJJMDFDQDAV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGKCHTOQENPZFF-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRNJHPQOHAYYJI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVNUDPGBHZKGD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKILUYGGNRRSKR-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYNFPVIKWHESNR-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UROWFMUIRALGKF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTCSWRJANFZJO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMDUPTCQDDHGDE-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYZDNKBSAADONB-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(Cc3c[nH]c4ccc(OC)cc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVCJEBUNBCBTI-UHFFFAOYSA-N", "SMILES:NCCCCCn1c(CCc2c[nH]c3ccccc23)nnc1Cc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOMCSQYBKQMEQJ-UHFFFAOYSA-N", "SMILES:c1ccc2c(CCc3nncn3CCCc3c[nH]cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTQVUYDROYEQLB-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKLWWPNAIGNREY-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(Cc3nnc(CCc4c[nH]c5ccccc45)n3CCCc3c[nH]cn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKRMLRJYNNXEFD-UHFFFAOYSA-N", "SMILES:OCCCCCCCCc1ccc(CN2CCCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQQAIWQGVYCKZ-UHFFFAOYSA-N", "SMILES:OCCCCCCCCc1ccc(CN2CCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLUCKGKUWMPODT-UHFFFAOYSA-N", "SMILES:OCCCCCCCCc1ccc(CN2CCCCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPIHZFXHCABWRY-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRCEAHDEAHTSC-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)Cc1ccc(CCCCCCCCO)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGMIWYHOEFYTQH-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(CCCCCCCCO)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCHBVUAMMRINO-UHFFFAOYSA-N", "SMILES:OCCCCCCCCc1ccc(CN2CCOCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMQVEHDXVCRVTP-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CCc2ccccc2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTDOBCNSKKVHR-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CCc2ccccc2)c2c(Br)cc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTFUDRWQOPLJNB-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROACAUYKHASZRM-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWPISCWRAKMVOE-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Br)cc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKXXSAUARGEYGP-UHFFFAOYSA-N", "SMILES:CCN1C(=O)C(=O)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVTWNZSJRMZQB-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CC2(c3ccccc3)CC2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKLRQNWWNEHHA-UHFFFAOYSA-N", "SMILES:CC(C)(C)CCN1C(=O)C(=O)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJDVHKWUCBDPJD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)C(=O)N2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZILBMLXFAYAL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)C(=O)N2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OELLQFQLMACXSS-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc2c(c1)N(CCc1ccccc1)C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3128205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XICVNIWRISOITG-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CCc2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXIYLGSCLJDKL-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2c1N(CCc1ccccc1)C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKQMKFZMROWIG-UHFFFAOYSA-N", "SMILES:C#CCOc1cc2ccccc2cc1C(=O)NC1=CC(=O)C2OC2C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPASHFSROBWQRH-UHFFFAOYSA-N", "SMILES:O=C1C=C(CCc2ccccc2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKFXGNQMFHGLSE-UHFFFAOYSA-N", "SMILES:O=C1C(F)c2cc(F)ccc2N1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLAORFFLGCNJKY-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)c2cc(F)ccc2N1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRCKQOIMLJTBS-RVDMUPIBSA-N", "SMILES:O=C1/C(=C/Cl)c2cc(F)ccc2N1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYMKXPCMJSKOFB-UHFFFAOYSA-N", "SMILES:O=C1N(CCc2ccccc2)c2ccc(F)cc2C1(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYURUVQXJTWRLS-QEJKBDCMSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCN4C5CCC4[C@@H](C(=O)OC)[C@@H](c4ccc(Cl)c(Cl)c4)C5)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299233", "category": ["biolink:ChemicalEntity"], "name": "TALOPRAM", "xref": ["InChIKey:LJBBMCNHIUJBDU-UHFFFAOYSA-N", "SMILES:CNCCCC1(c2ccccc2)OC(C)(C)c2ccccc21"], "synonym": ["Talopram"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5188712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWUWTQZQBGCDE-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCc4cccc(C(CCNC)Oc5ccccc5OC)c4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPQOVOZBHWXNBF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCNCCCC4(c5ccccc5)OC(C)(C)c5ccccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGKVLVGEBIVEV-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCc4ccc5c(c4)C(C)(C)OC5(CCCNC)c4ccccc4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1485038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMMOWGVGZDURKF-UHFFFAOYSA-N", "SMILES:Cc1nnc(Nc2ccc(S(N)(=O)=O)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1160031", "category": ["biolink:ChemicalEntity"], "name": "REACTIVE BLUE 2", "xref": ["InChIKey:JQYMGXZJTCOARG-UHFFFAOYSA-N", "SMILES:Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)O)c4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2313213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZGVGGXZKPYHH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSOSEKWKIWPKBK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRCVCVJPVIGDRB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXWOVZQHWJJJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFSGMLQROGKMX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1561438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWSDRZKXRSNLFO-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYMFQIQJIZWMH-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPOUJZWZCROKKO-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSKWWLMUCPUAW-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNXKGJSGMZXLZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWHALYHZNAWMA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nnc(-c3cccc(S(N)(=O)=O)c3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSMGEZYEAHASW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(Cl)c(S(N)(=O)=O)c3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNUWRKPBUOECD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJMQOVFETYTCRE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(O)c(S(N)(=O)=O)c3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNNYYPAUIOQLL-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNYXTTSUEQRAKZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEDQIKUUQNOAK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOLSJQMDEXQCNH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITQAVBNFIDRIBE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)NC(C)(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWYBWYBJIFJRII-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCQFBPAIBTCRJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1556897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBLKPRKOUYFGEH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLOUQDZQNSMSCP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1513693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZLIDEBYPOWTHS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSAPCKHRYGYPV-UHFFFAOYSA-N", "SMILES:Cc1cc(S(N)(=O)=O)ccc1Nc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXIIRFNUAXVKKP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHUCMMLUXWXBN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1-c1nnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOLXCXJVCNMSMN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1-c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQWQWPWGDTUOAH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1-c1nnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXSNZJNGATUEIG-UHFFFAOYSA-N", "SMILES:CCc1nnc(-c2cc(-c3nnc(Nc4ccc(S(N)(=O)=O)cc4)c4ccccc34)ccc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1475918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJLHECNMROSJNS-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLPTBOZIPMDEF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNZGBWIMFWGJK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDAWMQZSOPLPRB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPIJHRHNNQNDN-NKWVEPMBSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H](C=O)O[C@@H](C=O)COP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXABVXVKWHMFF-UHFFFAOYSA-N", "SMILES:CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N(CC)C1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBCNEWYNDSFTEJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(ccn2-c2cc3ccccc3c3cc4cc(C#N)ccc4n23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKVUUBCMBTVQQJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2nn3c(=O)c(F)c(C)nc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPDKQGXYDLCRII-UHFFFAOYSA-N", "SMILES:CCCC(Oc1cccc(C)c1)c1n[nH]c(=S)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYFJEZZMXGJZFM-ASPHORIHSA-N", "SMILES:CCCSc1nc(N/N=C/c2cccc(O)c2)c2nnn([C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCPOHOGMLPVMKM-AOALLVCUSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUVGEYBNLLGGBG-MVPSLEAZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKNCIZNJFJOGY-MVPSLEAZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(OS(=O)(=O)O)cc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTGORSKTHIBLJT-FIVJMQNTSA-N", "SMILES:O=C(/C=C/c1ccccc1)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDBWWEGDLCFCTD-VNEMRZQUSA-N", "SMILES:Cc1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/C(=O)OCc2ccccc2)C[C@@H]2CCNC2=O)C(C)C)no1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5208720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBHFZISLRFUPL-JBACZVJFSA-N", "SMILES:Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUBKCPHJCHQJTP-BQFCYCMXSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHRSRKMOLSGMR-KBKYZLAFSA-N", "SMILES:CC(=O)N[C@@H](CCc1nc2ccccc2s1)C(=O)N[C@@H](CN)C(=O)NCC(=O)NC/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWNPWYHREODZKW-SRPIJEGYSA-N", "SMILES:CC(=O)N[C@@H](CCc1ccc(O)cc1)C(=O)N[C@@H](CN)C(=O)NCC(=O)NC/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RETMDRSAJYWULY-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKKQSDGDCNBMFN-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWHUYBHCJSYTIT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRURDZTUAFNNG-SOLYNIJKSA-N", "SMILES:COC(=O)[C@@]1(N)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWLYFZWVLXQME-MRXNPFEDSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5183800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQQKYFEUUGRAR-HKUYNNGSSA-N", "SMILES:O=S1(=Nc2cc(Cl)c3c(Nc4ccc(F)cc4O[C@H]4COC[C@@H]4O)ncnc3c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXLMYYFWLSMCP-AEFFLSMTSA-N", "SMILES:COc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRWDDDSGEGTXIY-KSJUYSEISA-N", "SMILES:COc1cc(N=S(C)(=O)C(C)(C)C)cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCZBBDJOVZICW-UXHICEINSA-N", "SMILES:CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)cc(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCKSDSPCHDSAHA-RTWAWAEBSA-N", "SMILES:CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCCC3)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUDKTFUCCPOVGR-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIVZVCNGBMCBAA-UHFFFAOYSA-N", "SMILES:O=C1NCc2cc(Nc3cc(NC(=O)C4CC4)ncn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLMJVWYYRFNEP-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)cc(NCC3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMZDBZVXUKZOT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(CNc2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)cc3[nH]nc(N)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKBIMZUEOUDERI-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)cc(OCC3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQNSWUDBARUFL-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(C#N)ccc1Nc1ncnc2ccn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIIXSKLGSBCTAH-UHFFFAOYSA-N", "SMILES:Cn1ccc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSLNKDCNHNOGHL-CYBMUJFWSA-N", "SMILES:Cn1ccc2ncnc(Nc3ccc(F)cc3O[C@@H]3CCCOC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPLXSNGJYAHSH-UHFFFAOYSA-N", "SMILES:Cn1ccc2ncnc(Nc3ccc(F)cc3OC3CCCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXZLWAAQYGMLJX-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc2ncnc(N3CCc4cc(F)ccc43)c2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQZSFPVUKCRKO-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(F)ccc1Nc1ncnc2cc(C(=O)NCC3CCNCC3)n(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGHGVHKZQAQLD-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)CCN2c1ncnc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFZKILBVWKIDP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUVIEDJGNUFDDH-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCN3CCNCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQBGLUWBCLXFG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCC3CCNCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSWSCZOVNFBCZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1nc2c(N3CC(C)(C)c4ccccc43)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNIDEGZWPEOCF-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1nc2c(N3CCc4ccccc43)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVOPBCDBRHMPF-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYFVVHXJLAKHJY-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQKUBPWGXDRNCR-UHFFFAOYSA-N", "SMILES:CC1(C)CN(c2ncnc3sc(C(=O)NCC4CCNCC4)nc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUIPTFXIKGMGA-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(Cl)ccc43)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZGNBCVBQTPNR-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2ncnc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLRCBLFDBXAEH-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2ccncn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVARHXDLQROMIB-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(-c3sc(=O)n(C)c3C)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVILNNBJJOHBFN-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccnc(Nc3ccccc3OC(F)F)n2)sc(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3698955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGARKJLNFHDAI-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKMYKZYXPMRFNN-UHFFFAOYSA-N", "SMILES:Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUUMGNHANZHLX-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERFUBLNJBCLJR-UHFFFAOYSA-N", "SMILES:COc1ncc(C)cc1Nc1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZDVLYHZGVGWFH-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2ncnc3[nH]ccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDVHWQDQBHJEN-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncc1)c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUHWURRJXDZRD-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncc1F)c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVBYHNIUPOXDX-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSUAKYNPKYPLY-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccon1)c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLGFQDAIXIWDPE-UHFFFAOYSA-N", "SMILES:CN(Cc1ccon1)Cc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAIVJNWMBNKZHE-UHFFFAOYSA-N", "SMILES:Cc1ncc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDIADSAZCFCCT-LLVKDONJSA-N", "SMILES:C[C@H](CN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYEAAIMUSQBHPL-MLENZQCQSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBCAVOCJJAQHHT-FGUOTCRGSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCc6ccc(-c7scnc7C)cc6)C(C)(C)C)CC5)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAZGKRZKLXRGK-MPSDIPLZSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OCCOCCOCCOc2ccc(-c3ccc(-c4nc5ccc(F)cc5c(C(=O)O)c4C)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIEGJNXDHULIKM-GPPJZCFZSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4300553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOORWDADMZRRB-UHFFFAOYSA-N", "SMILES:CN(CCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])Cc1ccc(COC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279597", "category": ["biolink:ChemicalEntity"], "name": "ALANINE", "xref": ["InChIKey:QNAYBMKLOCPYGJ-REOHCLBHSA-N", "SMILES:C[C@H](N)C(=O)O"], "synonym": ["E639", "Alanine", "Alanina", "L-alanine", "Alanine", "(2s)-2-aminopropanoic acid", "Alanine", "L-2-aminopropanoic acid", "NSC-206315", "Alanine", "Alanine", "L-alanine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL43068", "category": ["biolink:ChemicalEntity"], "name": "VALINE", "xref": ["InChIKey:KZSNJWFQEVHDMF-BYPYZUCNSA-N", "SMILES:CC(C)[C@H](N)C(=O)O"], "synonym": ["Valine", "Valina", "L-valine", "Valine", "Valine", "NSC-76038", "Valine", "L-valine", "Valine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL214344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBDOGIZEEBHJSE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)n1-c1ccc(O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28457", "category": ["biolink:ChemicalEntity"], "name": "ALKANNIN", "xref": ["InChIKey:NEZONWMXZKDMKF-JTQLQIEISA-N", "SMILES:CC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O"], "synonym": ["E103"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1414", "category": ["biolink:ChemicalEntity"], "name": "SYRINGIC ACID", "xref": ["InChIKey:JMSVCTWVEWCHDZ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGHPVQBOFUCPDO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWAVZWRNVFVIU-CPLZMPMBSA-N", "SMILES:[2H]C([2H])(c1cc(F)cc(F)c1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPCXFWYJJZAOO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(O)(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRVQSNEKTZLSB-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)n[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPVMRJDRNRNKU-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3cccc4c3OCCO4)c3nsnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUSUEDHOOJCQAP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2cccc(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBGYGVWRKECFJ-ARQDHWQXSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2002224", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBVIIULFXJEGF-SXGWCWSVSA-N", "SMILES:O=C(O)CC1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3I)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBGLKHXECHGPC-UHFFFAOYSA-N", "SMILES:O=C1C=C(C(CSC(=S)NN2CCOSS2)SC(=S)NN2CCOSS2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LABKIXIZKCQJOX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(SC2=NS(=O)(=O)c3ccccc32)cc1"]}
{"name": "Pyruvate kinase", "xref": ["CHEMBL.TARGET:CHEMBL5149"], "id": "UniProtKB:Q27686", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5665"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQFCTZXVAPVCS-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2ccccc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL16171", "category": ["biolink:ChemicalEntity"], "name": "WOGONIN", "xref": ["InChIKey:XLTFNNCXVBYBSX-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL138649", "category": ["biolink:ChemicalEntity"], "name": "6-HYDROXYFLAVONE", "xref": ["InChIKey:GPZYYYGYCRFPBU-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2ccc(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1084625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWYEWDDQWYJLU-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBDJXWMQASRPTJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIIWSGQVQYXRRT-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N(c3ccccc3)c3ccccc3)cc2)cc1)N(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZDTDKCLZHWOI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(C(=S)SCc2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGHGURIVRPDJB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(c2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBKKEZLIABHSGY-DOYQYKRZSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)c(O)c3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5169764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGZBVQZPPNEBQV-UHFFFAOYSA-N", "SMILES:CCc1nnc(SCc2ccccc2F)c2cc3sc(C)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1479103", "category": ["biolink:ChemicalEntity"], "name": "HAEMATOXYLIN", "xref": ["InChIKey:WZUVPPKBWHMQCE-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5203556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBRNZIJWLUIGK-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2ccsc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKLFRILAJNBRX-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2cc3ccccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIAGDXXTUNUQL-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3ccccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADFLGRDZYJADK-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3ccccc3n2Cc2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJOQSQDQTSWJNI-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3ccccc3n2Cc2ccccn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZPQKDJUWLAFEQ-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3ccccc3n2C(C)c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNDJEMNBXPEPX-UHFFFAOYSA-N", "SMILES:COCCn1c(-c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNDUWASCOUGRRM-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3ccccc3n2CC2CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSINVQNKKHGZED-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cccc2[nH]c(-c3[nH]c(C)c(C(C)=O)c3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTDFPCKCTWZEFE-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3c(N4CCN(C)CC4)cccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRNIFZKRBODHFR-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2[nH]c(-c3[nH]c(C)c(C(C)=O)c3C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AESBJGGTJKBCMI-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVYLIQZHBRTVDT-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N(C)CCN(C)C)ccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVQXSSHOVYIEY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCN(c2ccc3[nH]c(-c4[nH]c(C)c(C(C)=O)c4C)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRTJJGXKIHLHDI-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCCCC4)ccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOYPWOOZYQRFDL-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZBHPJSHSGJCD-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(OC4CCN(C)CC4)ccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAWMIFDIYQUOOQ-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCC(CO)CC4)ccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMYJYWTUHHDHCA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2[nH]c(-c3[nH]c(C)c(C(C)=O)c3C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBQQRHYTBKBFHD-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(NC(=O)C4CC4)ccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGXAVAZJHZFRHI-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(-c4ccnn4C)ccc3[nH]2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTJPOLUXGGHBLW-UHFFFAOYSA-N", "SMILES:CCc1c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPJMIXXCMACLR-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZXHHFBRYAIRD-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJOPSONEJPSZDM-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQRHOBAJRUFMDD-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWHIEFHJMQOKMA-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFFKSTBARQUBOL-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRAZLDKRAYCTLI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)[nH]c(C)c2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHHKVMTYOCVDU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2c(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)[nH]c(C)c2C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEOJLEMCDFKAEJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFXTAQGBLCEMS-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZWRHWRSQPDPS-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKKRCRGSWYVDB-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNVGYTVGTDDCPS-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOCZCKPWBKJIS-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2c(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)[nH]c(C)c2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPGRHCKXXGPSR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2c(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)[nH]c(C)c2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBRPIEQREHDGOQ-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFZXTPUJQYTEE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)[nH]c(C)c2C(C)=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDQTGAYROBTIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)[nH]c(C)c2C(C)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMKLEUVTZMZQC-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZLJXAXDOBRSNK-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UINHRMQJPAKZLE-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2ccc3c4ccccc4n(C)c3c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNXZAZFUGHICR-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2cnc3ccccc3c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPKKLHNDGALPD-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2ccc3cc[nH]c3c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMNEUHMSHMGMO-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3ccccc3s2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJHPDNIXLJORE-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3c([nH]2)=CCC(Nc2ccnc(Cl)n2)C=3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGZFOAPATVAFLN-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUZUUVINZRDUNO-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448359", "category": ["biolink:ChemicalEntity"], "name": "4,8-DIHYDROXY-1-TETRALONE", "xref": ["InChIKey:ZXYYTDCENDYKBR-UHFFFAOYSA-N", "SMILES:O=C1CCC(O)c2cccc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5202625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVAQJFUUCNXQE-UHFFFAOYSA-N", "SMILES:O=C1CC(O)C(O)c2c(O)cccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5190764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPQGKRRFSZVPZ-UHFFFAOYSA-N", "SMILES:O=C1CCC(O)c2c(O)cccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5203969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWBNROLKURQIA-UHFFFAOYSA-N", "SMILES:COC1CC(=O)c2c(O)ccc(O)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGPJCTUZODOJY-AWEZNQCLSA-N", "SMILES:CC1(C)C=Cc2cc3c(cc2O1)C[C@H](c1ccc(O)c(O)c1)CC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRHETAREHGGMI-HNNXBMFYSA-N", "SMILES:COc1ccc([C@@H]2CC(=O)c3cc4c(cc3C2)OC(C)(C)C=C4)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXQUSZJARNVHB-HNNXBMFYSA-N", "SMILES:CC1(C)C=Cc2cc3c(cc2O1)C[C@H](c1ccc(O)cc1)CC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHIDDAEMKDZBD-JRZJBTRGSA-N", "SMILES:C=C(C)C1Cc2cc3c(cc2C1)C(=O)C[C@@H](c1ccc(O)c(O)c1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXZZFNHTUJLXGK-XYOKQWHBSA-N", "SMILES:COc1ccc2c(c1)CC/C(=C\\c1cc(C(F)(F)F)ccc1C(F)(F)F)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKFHJXUOCOYOF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCC(Cc1ccc(O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJUAOJJUEQQCNW-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc3c(c2)C(=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGTDBZGNCWHCCL-UHFFFAOYSA-N", "SMILES:O=C1CCCc2ccc(OCc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZFBSGGOVFDAO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(COc2ccc3c(c2)C(=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACRPCLSZAVYTO-FMIVXFBMSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/c1cccnc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQFBDSHKSYOQLV-FMIVXFBMSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/c1ccc[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJXCTZRQMTASX-MDWZMJQESA-N", "SMILES:O=C1/C(=C/c2cccc(Br)c2)CCc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGYOAGWOOIIIMA-KPKJPENVSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CCc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLUBOHGJNPWDGC-UHFFFAOYSA-N", "SMILES:O=C1CCCc2ccc(OCc3ccc(Cl)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUVXBPVTGLXVTR-FMIVXFBMSA-N", "SMILES:O=C1/C(=C/c2cccc(O)c2)CCc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLIIYWYPTKLMOZ-ZRDIBKRKSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)CCc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAXVFROPBVPRDH-UXBLZVDNSA-N", "SMILES:Nc1ncc(/C=C2\\CCc3c(O)cccc3C2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICKPDMECGKBOP-JLHYYAGUSA-N", "SMILES:COc1ccc(/C=C2\\CCc3c(O)cccc3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQFRYMDADEDKF-RVDMUPIBSA-N", "SMILES:CCC1C/C(=C\\c2cc(OC)c(OC)c(OC)c2Br)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVCKFMEGAGPOX-UKTHLTGXSA-N", "SMILES:COc1ccc(/C=C2\\CCc3cc([N+](=O)[O-])ccc3C2=O)c(Cl)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNQGNBUWFEIQD-XYOKQWHBSA-N", "SMILES:COc1cc(/C=C2\\CCc3cc([N+](=O)[O-])ccc3C2=O)c(Br)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL308480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVJCLYJXOVMSI-UHFFFAOYSA-N", "SMILES:O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL155486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWEAUXJVFDVRAU-UHFFFAOYSA-N", "SMILES:O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHLOYAJKIBCBH-UHFFFAOYSA-N", "SMILES:C[SH](=O)(NC#N)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFGDXEJQGRTMOP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NC1(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTHILYLVSTHNK-UHFFFAOYSA-N", "SMILES:COC1CN(CCNc2nc3c(F)c(F)cc(/C(=N/O)Nc4cccc(Br)c4)c3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMDAOLIDAANPD-UHFFFAOYSA-N", "SMILES:O/N=C(/CCC1CCCCC1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQJNNDGKPYTFNR-CZIWCDLHSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAJLGNVKIEQKY-ZACQAIPSSA-N", "SMILES:C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWKMGSCQQQPBU-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINKWGLXVLWLIU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(S(=O)(=O)NC2CCCc3cnccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDWXPLDIKCCKW-UHFFFAOYSA-N", "SMILES:OC(CC1c2cc(F)ncc2-c2cncn21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXDSCNDPIPBYOA-JSGCOSHPSA-N", "SMILES:O[C@@H](C[C@H]1c2sccc2-c2cncn21)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSQQWDUUFGXQKN-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2cncn21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSORNINUVZBRF-UHFFFAOYSA-N", "SMILES:OC1CCC(C(F)(F)CC2c3c(F)cccc3-c3cncn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LENQKUHPJFNPOC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(F)c(NC(=O)NCC3c4ccccc4-c4cncn43)cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXLPCQZDOXNMLN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)NCC2c3ccccc3-c3cncn32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULKBZIDWGHWLH-HKUYNNGSSA-N", "SMILES:O[C@@H](C[C@H]1c2ccccc2-c2cncn21)c1cc2ccoc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJGQDAMZVUNFBQ-VWLOTQADSA-N", "SMILES:Cn1cc(-c2ccc(N3CCC([C@H]4c5c(F)cccc5-c5cncn54)CC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQMSNSABYCZIX-OAQYLSRUSA-N", "SMILES:C[C@@]12CCCCC1=C(O)C(=O)c1cc3c(cc12)C(=O)C1=C(C3=O)S(=O)(=O)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVQHTONLJJWGN-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCOCCOCCNCCNc4nonc4/C(=N/O)Nc4cccc(Br)c4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXQJDKQBDHYAT-QRQLOZEOSA-N", "SMILES:C[C@@H](C(=O)Nc1ccc(C#N)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJSUJABXWXVZPT-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCOc1ccccc1-c1c[nH]cn1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEKXYUKFDVTFM-YUNFYPSHSA-N", "SMILES:CC1=CCC[C@@H](C)[C@]1(C)C[C@]1(C)[C@@H](O)CC[C@]2(C)[C@@]3(C)CC[C@]4(C)c5c(C(O)C(=O)O)ccc(O)c5C[C@H]4[C@]3(C)CC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WROOOUNLLZRDGF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2nc(C(=O)NO)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJPZOCQYVSTEC-VMPITWQZSA-N", "SMILES:COc1ccc2cc(C(=O)Oc3cccc(/C=C/C(=O)NO)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSFJWFPAULATEH-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(-c3cccc(OCCCC(=O)NO)c3)nc(N3CCOCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WODPQZOZWZAOTM-SFHVURJKSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3ccccc13)CC2)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKDWFTFCSKLONE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMACHESOCZBEQI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccn3ccnc3c2)ccn1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLRORAILGFTQMT-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1Nc1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROEAKEYECDRZLY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-n2cnc3ccccc32)ccn1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNGWLTUFDCZBU-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2ccnc(NC(=O)C3CC3)c2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYHIVRBEMVQKRA-SECBINFHSA-N", "SMILES:C[C@@H]1CNC(=O)c2cc(-c3ccnc(NC(=O)C4CC4)c3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLUOMAUWZUAIG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cc(-c3nncn3-c3ccccc3Cl)ccc2cn1)C1CC1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVXVMNKRUXMBF-HNNXBMFYSA-N", "SMILES:CC(C)[C@@H]1CNC(=O)c2cc(-c3ccnc(NC(=O)C4CC4)c3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPPJHRLKDUHHR-INIZCTEOSA-N", "SMILES:Cc1cnc(NC(=O)C2CC2)cc1-c1cc2n(n1)[C@H](C(C)C)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTIXSYWLFRECZ-NSHDSACASA-N", "SMILES:CC(C)[C@@H]1CNC(=O)c2cc(N3CCOCC3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYPSSQPWVAKPSS-PWSUYJOCSA-N", "SMILES:CC(C)[C@@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQKZPIYTTZRKQX-SKDRFNHKSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)[C@H](C1CC1)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFRNGGRQEQZAIO-MFKMUULPSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)[C@H](C1CCC1)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCVYPEQEJGHVSX-APPZFPTMSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)[C@H](C(F)(F)F)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWHIVKSONBCOTG-PWSUYJOCSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)[C@H](C(C)(C)C)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVVAIWKHCWYGF-RISCZKNCSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)[C@H](C1CCCC1)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXOYLUIUXHDFDO-KOLCDFICSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)[C@H](C(C)(C)O)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHZFEATLNKZSI-VXNVDRBHSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)C[C@H](C(F)(F)F)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYGXECMOMXYHE-BFVZDQMLSA-N", "SMILES:C[C@@H]1NC(=O)c2cc(N3CCOC[C@H]3C)nn2[C@@H]1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERJPQRUISMFBU-HPEXNQPKSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)[C@H](C1CC1)[C@H](C1CC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMOXVKWJNSPHR-QMTHXVAHSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)[C@H](C1CC1)C(C)(C)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBNDYMTZTMTFOX-QMTHXVAHSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)[C@H](C1CC1)C1(CC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBRZKIUSVUXJP-OUAUKWLOSA-N", "SMILES:C[C@@H]1COCCN1c1cc2n(n1)[C@@H]1CCC[C@@H]1NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZDXZPWVGCQPBG-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)OCCc1sc(-c3ncnn3-c3ccc(F)cc3F)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUEQJJPDWJRBAN-UHFFFAOYSA-N", "SMILES:CC1COc2cc(C(N)=O)ccc2-c2nc(-c3ncnn3-c3ccc(F)cc3F)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDOOVEMEWGTJTD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4ccc(OC)cc4n3C)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL153206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGDCJUNSPFHRTH-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3ncnc(Nc4cccc(Br)c4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJJIOLMGNHHTC-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2ncnc3c2[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL423224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRKNNUUCCNFPI-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2[nH]cnc3nc4ccccc4c2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQYFKGTEDNHPE-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2ncnc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL309276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZFPVQIMSWHDCR-UHFFFAOYSA-N", "SMILES:O=C(O)CCC1C(S)=Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGQCGRYAAEEEL-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(CCC(=O)O)c(SSc3[nH]c4c(C)cccc4c3CCC(=O)O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXQRBDSSCCBIV-UHFFFAOYSA-N", "SMILES:O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2)[nH]c2ccccc12)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEGQFCRLWUZSR-UHFFFAOYSA-N", "SMILES:Cc1cc2c(F)c(Oc3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYHLVHIGVKOAR-UHFFFAOYSA-N", "SMILES:Cc1cc2c(F)c(Oc3ccnc(Nc4ccc(S(N)(=O)=O)cc4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHJJPOTONVTDQ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(F)c(Oc3cc(Nc4ccc(S(N)(=O)=O)cc4)ncn3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKJDJFNKZBMTF-UHFFFAOYSA-N", "SMILES:Cc1cc2c(F)c(Oc3cc(Nc4cc(CS(C)(=O)=O)ccc4C)ncn3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFMKRLBSRYSRDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(N)(=O)=O)cc1Nc1cc(Oc2ccc3[nH]c(C)cc3c2F)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLGMPUZBUSUDS-UHFFFAOYSA-N", "SMILES:Cc1cc2c(F)c(Oc3cc(Nc4cccc(CS(C)(=O)=O)c4)ncn3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVCHBYJMASMQP-UHFFFAOYSA-N", "SMILES:Cc1cc2c(F)c(Oc3cc(Nc4ccc(CS(C)(=O)=O)cc4)ncn3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRVKDIQWQEXCZ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(F)c(Oc3cc(Nc4cccc([N+](=O)[O-])c4)ncn3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNZSENQYZRHLCL-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(Oc3ccc4[nH]c(C)cc4c3F)ncn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL327518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLQJKCZVIUEDN-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3cncc(-c4ccsc4)c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL327721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOYABXHBTZQMB-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCn2cc(-c3cncc(-c4ccsc4)c3)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVPXHGQLZVIJF-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL318835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJOOREQEKGMGLH-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL317438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGASLBEEIHLKK-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL318263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMGHCIGLDWGQP-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVXFKDUGJBZCH-UHFFFAOYSA-N", "SMILES:O=C(OCCN1CCCCC1)c1cc2ccccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTVJYLRPRHFQC-ATJXCDBQSA-N", "SMILES:O=C1/C(=N\\c2ccc(Cl)cc2)c2ccccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDLOGOBRIOAHX-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(NC(=O)c2ccc(OCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc2cc(Br)ccc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLMXWBSEQIDLJG-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccccc2)nc1C(=O)Nc1cnccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIFPQVYIKJCFI-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccccc2F)nc1C(=O)Nc1cnccc1N1CCC(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQUABYHYNDHLO-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnc(N)c(C(=O)Nc2cnccc2N2CCC(C(=O)O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUJSRJRCZOMQBH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc(N)c(C(=O)Nc3cnccc3N3CCC(C(=O)O)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIATSFXNVOVFE-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(F)c(-c2cnc(N)c(C(=O)Nc3cnccc3N3CCCC(C(=O)O)C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRJDHVRCNAUAOH-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cnc3[nH]cc(-c4ccc(F)cc4)c3c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZRVXIVKDKMTQJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cnc3[nH]cc(-c4ccc(F)c(F)c4)c3c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611368", "category": ["biolink:ChemicalEntity"], "name": "LICOCOUMARONE", "xref": ["InChIKey:CNPMAFLUEHEXRE-UHFFFAOYSA-N", "SMILES:COc1c(CC=C(C)C)c(O)cc2oc(-c3ccc(O)cc3O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4542402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVSYHNNZOKQFD-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUGHHCYTWBLDT-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2c(Br)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWCTWLTGFCRPQ-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2c(I)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPSQWZYBKOSWAY-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)[nH]c2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQZOQCNUCCPVTE-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)[nH]c2c(I)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBYDGWHLEKHRAJ-UHFFFAOYSA-N", "SMILES:N#Cc1c(C2CCCC2)[nH]c2c(I)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDRAETFVRBBLOB-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBOUTVQTMMUARP-UHFFFAOYSA-N", "SMILES:O=c1ccccc2[nH]c3c(Cl)cccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGXKRVAEXSLXCJ-UHFFFAOYSA-N", "SMILES:O=C1CCCc2[nH]c3c(Cl)cccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDRBMDZINCDDR-UHFFFAOYSA-N", "SMILES:O=c1c2c(ccc3nc(-c4cccnc4)sc32)ncn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSMTZKTACZBPA-UHFFFAOYSA-N", "SMILES:O=c1c2c(ccc3nc(-c4cnccn4)sc32)ncn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKITQOBTXEXSY-UHFFFAOYSA-N", "SMILES:O=c1c2c(ccc3nc(-c4cccnc4)sc32)ncn1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZQZELTOHAHNW-GJQNQZCXSA-N", "SMILES:CN(Cc1ccc(C(=O)NO)cc1[18F])CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWLURVWZRQXQEM-AUUYWEPGSA-N", "SMILES:C[C@@H]1CN(Cc2ccc(C(=O)NO)cc2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBBGPWFKFVWGM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCCOc4ccccc4C(N)=O)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWMRRNGWSITSQ-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c(=O)[nH]ccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQDKRHPMGMXTD-OAHLLOKOSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc([C@@H]4CCCNC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCTVJMPYKWHEFD-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1nc2ccc(-c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)cc2[nH]1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWOQSNTZUUFGW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(COc2ccc(-c3ccc(-c4nc5c(C(=O)O)cc(C)cc5[nH]4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTXVXYKICRFJQO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RASNXSKKZKQLSV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(-c4cncc(CN5CCCC5)c4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKYAYUOCMORAK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4ccc(NC(=O)C5CC5)cc4F)cc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVFQYHZKQOEQT-UQMYLEDRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1O[C@@H](CN(CCI)CCC[C@H](N)C(=O)O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALBPVVFHRWZNEG-SDPXSBNPSA-N", "SMILES:N=C(N)NCCCN(CCCN)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVNLNYAEXQZIR-MJFSBKNWSA-N", "SMILES:N=C(N)NCCCCN(CCCN)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDMCCWMSVOANNB-OWCBBSPXSA-N", "SMILES:N=C(N)NCCCCCN(CCCN)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUJVBSQHYBLFQ-YRFFXBIPSA-N", "SMILES:NCCCN(CCCNc1ccccn1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITRCMIWRZBDID-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXOHSDXUQEUSF-GCRRMORUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1O[C@@H](C[C@H](N)CC[C@H](N)C(=O)O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3623770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSKMIMMIUZSPKF-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUKTBDSGOFHSH-XQUTYLFXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1O[C@@H](CSCC[C@H](N)C(=O)O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5201124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJFZSFILXMRKRL-VGIVHPTCSA-N", "SMILES:CNc1ncnc2c1ncn2[C@H]1O[C@@H](CN(CCI)CCC[C@H](N)C(=O)O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIULHULFPSIBAK-PVYXKRRNSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@H]1O[C@@H](CSCC[C@H](N)C(=O)O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCKJUKAQJINMK-SZBRSHHCSA-N", "SMILES:CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cc(Br)c3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTWYAYAFLGUEQ-HGNGLJKMSA-N", "SMILES:N#Cc1cn([C@H]2O[C@@H](CSCC[C@H](N)C(=O)O)[C@H](O)[C@@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVLGMREYUFLPQ-UHFFFAOYSA-N", "SMILES:CNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4cnc5c(c4)ncn5C)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYIUYTWUXIBOEY-UHFFFAOYSA-N", "SMILES:CNc1ccnc(Nc2ccc3sc(Cl)c(-c4cc(-c5c(C)ncn(C)c5=O)cnc4Cl)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1312860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMCVPHRDALQWTJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)c2c(Cl)cccc2Cl)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXZODJIBRQLSPO-UHFFFAOYSA-N", "SMILES:Nc1ncnc2ccc(N(CC#CC(O)c3nccn3CCO)c3c(Cl)cccc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPNDBLSLLPFVIV-UHFFFAOYSA-N", "SMILES:NC(=O)CNC(=O)Nc1ccc2ccn(-c3ccccc3Cl)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XODILVIVLXYGDT-GWQXNCQPSA-N", "SMILES:CN(CCCNC(=O)CNC(=O)Nc1ccc2sc(Cl)c(-c3cccnc3)c2c1)[C@@H]1CCCC(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRRJWSSDCTLTQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc3nc(C)cc(N)c3c2)nc(Nc2ccc3nc(C)cc(N)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYHKKPKXUTKDC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CC(=O)c2ncn(CC(=O)NCCn3ccc4c(N)ncnc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXRGFPHDRFQODR-HZLPDVBGSA-N", "SMILES:CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXFOLMYKSYSZQS-JMYAXFFQSA-N", "SMILES:CC(C)N(C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5194696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEJILRRXJVSBCM-PVYXKRRNSA-N", "SMILES:CNc1ncnc2c1ncn2[C@H]1O[C@@H](CSCC[C@H](N)C(=O)O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHIEOZUONPPQY-FSTIDGNVSA-N", "SMILES:COc1cc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3644617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKSYRSOVZNFOY-HMDXBLRFSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1O[C@@H](CN(CCNCCc2ccc(Cl)cc2)CC[C@H](N)C(=O)O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFDAVSSCZOJXSE-QJCJJTNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1O[C@@H](CSCC[C@H](N)C(=O)NCc2cc(-c3ccccc3)[nH]n2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZXJMARBCQWCOD-UHFFFAOYSA-N", "SMILES:CCC(CC)n1ncc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFQFVKGDIAXUAG-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(C)CC3)cc2)c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCAJBRLLRJQVTF-NTCAYCPXSA-N", "SMILES:CCN(c1cc(/C=C/c2ccc(CN3CCN(C)CC3)cc2)cc(C(=O)NCc2c3c(c(C)[nH]c2=O)CCCC3)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGHJBSCCRITPR-LJQANCHMSA-N", "SMILES:CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKCJIJODNQOCG-GOSISDBHSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSKHRBPBXLZMQ-PMVMPFDFSA-N", "SMILES:CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@@H](C)[C@H]2CC[C@H](N3CC(OC4CC4)C3)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3914083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFVQQKTVZOCBDT-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISVTSUBJCPLSV-PVYXKRRNSA-N", "SMILES:CN(CC[C@H](N)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOSIAXSQPPVAG-UHFFFAOYSA-N", "SMILES:CCC(CC)n1ncc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDLMTCDMNCZYBH-HXUWFJFHSA-N", "SMILES:CO[C@@H](c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C)cc(C)[nH]c1=O)CC2)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKFXDWGQXGXSH-OXUWNYNTSA-N", "SMILES:CCNC(=O)NCCCSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWOOWAHTEXIWBO-QDEPRCCBSA-N", "SMILES:Nc1ncnc2c1ccn2[C@H]1O[C@@H]([C@H](O)c2ccccc2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSMLQTUDJVICQ-WEZQJLTASA-N", "SMILES:Nc1nc2cc(CC[C@@H]3C[C@H](n4ccc5c(N)ncnc54)[C@@H](O)[C@H]3O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBBALYUYLMRYJQ-RNCIANSQSA-N", "SMILES:Nc1cccc(CCC[C@@H]2C[C@H](n3ccc4c(N)ncnc43)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZBULYAKSCNNPA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRPLAOXTIXKDEC-UQMYLEDRSA-N", "SMILES:CCCN(CC[C@H](N)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYXRZDCUJHGULY-ACQZPUNLSA-N", "SMILES:CN(C)CCCN(CC[C@H](N)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDFJXRJYAZANFF-VBHAUSMQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCNCc2cccc(-c3ccc(Cl)cc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIPIGVDBQNOVRQ-AJMRDRLISA-N", "SMILES:CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C[C@H](CC[C@H](N)C(=O)O)CNC(=N)N)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCYWLXMJRCJNE-QDEPRCCBSA-N", "SMILES:Nc1ncnc2c1ccn2[C@H]1O[C@@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZVPALXYUWTKB-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKBTZJRYAPJAQ-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2)(c2ccccn2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROAHVXYYLCNTEY-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccn2)(c2ccccn2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTZUCXNHOJAVMA-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOYWYHUHIBRQJS-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2)(c2cccs2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJRKXPZVZTUGCH-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2)(c2cscn2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOYMCXYHZZXSM-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccsc2)(c2ccccn2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUUGDZFUQSSCMC-UHFFFAOYSA-N", "SMILES:O=C1OC(c2cccs2)(c2cccs2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSBHTFMIZULEW-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2)(c2ccccc2O)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVLLCBRZYCZYMN-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccsc2)(c2ccccc2O)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTZGXLYPKKVWFB-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccsc2)(c2ccccc2F)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHNGEDKMVUGEAD-UHFFFAOYSA-N", "SMILES:Nc1cccc(C2(c3ccsc3)CC(O)=C(Sc3ccccc3Cl)C(=O)O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUVMPUZOMMZIIF-UHFFFAOYSA-N", "SMILES:Nc1cccc(C2(c3ccccc3)CC(O)=C(Sc3ccccc3Cl)C(=O)O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOYPKTWTIPJEIK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(C2(c3ccsc3)CC(O)=C(Sc3ccccc3Cl)C(=O)O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVVJAHAHCKUGOY-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccsc2)(c2cccc(NCC(F)(F)F)c2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPBCHTHNMVCMPG-HHHXNRCGSA-N", "SMILES:O=C1O[C@@](c2ccsc2)(c2cccc(Nc3ccc(F)cc3)c2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPBCHTHNMVCMPG-MHZLTWQESA-N", "SMILES:O=C1O[C@](c2ccsc2)(c2cccc(Nc3ccc(F)cc3)c2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKHLAQGCZXLJEZ-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccsc2)(c2cccc(Nc3ccc(F)cn3)c2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGGVZLMILAHJIQ-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccsc2)(c2cccc(Nc3ccc(F)cc3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNJPZDROPSTADZ-MGBGTMOVSA-N", "SMILES:O=C1N[C@](c2cccc(Nc3ccc(F)cc3)n2)(c2cccc(Nc3ccc(F)c(F)c3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNJPZDROPSTADZ-XIFFEERXSA-N", "SMILES:O=C1N[C@@](c2cccc(Nc3ccc(F)cc3)n2)(c2cccc(Nc3ccc(F)c(F)c3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZBODLLOYFPXDM-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cccc(Nc3ccc(F)c(F)c3)n2)(c2cccc(NC3CCCCC3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQAJBRWEKKALSW-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cccc(Nc3ccc(F)c(F)c3)n2)(c2cccc(NC3CCOCC3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MREKVQUMZPMFFT-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccsc2)(c2cccc(Nc3ccc(F)c(F)c3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPQZHPKRRVQMS-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cccc(NCCC3CC3)n2)(c2cccc(Nc3ccc(F)c(F)c3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIRIXDHTSWQIN-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cccc(NCc3ccc(F)cc3)n2)(c2cccc(Nc3ccc(F)c(F)c3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTRNEGLUGPGEU-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cccc(Nc3ccc(F)c(F)c3)n2)(c2cccc(Oc3ccccc3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZKRTDRCRAGQS-UHFFFAOYSA-N", "SMILES:O=C1NC(c2cccc(Nc3ccc(F)c(F)c3)n2)(c2cccc(Oc3cccc4ncccc34)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTRGQJCPTZPBM-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccc(N3CCOCC3)cc2)(c2cccc(Nc3ccc(F)cc3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACLGRUHBHYSZNM-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccc(N3CCOCC3)cc2)(c2cccc(Oc3ccc(F)cc3)n2)CC(O)=C1Sc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTLPSCUZQRKXJR-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(Cc2ccc(C(=O)NO)cc2)C[C@H](C)N1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZIHPTWVQZXAO-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Nc1ncc2ncn(-c3ccc(C#N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIZDABECURRFX-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1-n1cnc2cnc(Nc3ccc(C#N)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOBOMCZZCHPHBU-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2cc[nH]c2c1)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZSOVXBQHUJBD-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccc2ccccc2c1=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFWOBCXGNINIKI-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2ccccc2c1)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHPZNTVPRDLQF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CC(=O)Nc2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXDOISEJBSGAZ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(OC(F)F)cc1)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTSFDQNVCCAZLL-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVEXYILKGMDZTJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEHBUXMJKRBQON-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Br)cc1)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDHDMIADUBTJX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLFLVONTTDCYQV-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2cccc(B(O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJSHZYBRPGRBSH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CC(=O)Nc2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCSCODYKSYWGTQ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)Nc2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLAWBWHTCIUPM-UHFFFAOYSA-N", "SMILES:CCCc1ccc(CC(=O)Nc2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMQUKIPEUCNQQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)Nc2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZYMUOQAAKHJF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CC(=O)Nc2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTXSEOHBMQFDBM-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODUNKCMTRULAK-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc2ccccc2[nH]1)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEKWOXFEORMBCF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2cc[nH]c2c1)NCc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLTBPCPUTOWVDJ-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc2cc[nH]c2c1)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKKENPLAPXKFL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nsc(=O)[nH]2)cc1"]}
{"name": "Triosephosphate isomerase, glycosomal", "xref": ["CHEMBL.TARGET:CHEMBL5834"], "id": "UniProtKB:P52270", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5693"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGFEQGWJVCBOX-BWZMWZRISA-N", "SMILES:O=C(/C=C/C=C/c1ccco1)/C=C/C=C/c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHPCJOGNMKBHW-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2[nH]1)Nc1ncc([N+](=O)[O-])s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNHRNFODJOFRU-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)CCCSc1nc2ccccc2s1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3990589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTPFWVHDVOKBSN-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc4nc(-c5ccc(N)cc5)sc4c3)sc2c1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRUGIFDPFFCIV-UHFFFAOYSA-N", "SMILES:O=C1C(=Cc2ccc([N+](=O)[O-])o2)C(=O)N(Cc2ccccc2)[SH](=O)(O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJGGYMWCALORIZ-UHFFFAOYSA-N", "SMILES:[O-][NH+]1c2ccc(O)cc2[NH+]([O-])c2cc(Cl)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCKUHKUWOSMSDA-UHFFFAOYSA-M", "SMILES:COc1ccc(-c2c/c(=[S+]/CC(C)=O)ss2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRYGTVHMKZFXOZ-UHFFFAOYSA-N", "SMILES:OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCZKGSPGDOPDAI-UHFFFAOYSA-N", "SMILES:CSCCC(NC(=O)C1CCC(C)CC1)C(=O)Nc1ccncc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5181562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPLADCLSRWYLI-ZOFYMTOZSA-N", "SMILES:O=C1/C(=C/C=C/c2ccco2)CCC/C1=C\\C=C\\c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJAKABLHMRVJAG-DYQZOYDYSA-N", "SMILES:CCOC(=O)/C=C/C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)c1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKCLQGNEPSWOPX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)COC(=O)C(CC(C)C)N2C(=O)C(Cl)=C(Cl)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARNUDELAPAGENV-UHFFFAOYSA-N", "SMILES:CC(C)CC(NC(=O)c1ccc(-c2ccccc2)o1)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEPKKQPYUTYBTB-UHFFFAOYSA-N", "SMILES:O=C1C(Br)=C(Oc2ccc3ccccc3c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUHQMEWXORXUME-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(OC2=CC(=O)c3ccncc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJHACLGIFXRCDA-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)C(C)C)c(C(F)(F)F)[n+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLYMVCZLAAFIO-UHFFFAOYSA-N", "SMILES:c1ccc(-c2sc(C3(N4CCCC4)CCCCC3)cc2-c2ccc3cc[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPHNIRWIUPFXPK-UHFFFAOYSA-N", "SMILES:CN1CCN(CCn2ccc3cc(-c4ncc(C5(N6CCCC6)CCCCC5)s4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXOICZBJEITWLQ-UHFFFAOYSA-N", "SMILES:COc1cc(NCc2ccc3nc(N)ncc3c2C)cc(OC)c1OC"]}
{"name": "Bifunctional dihydrofolate reductase-thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL1163130"], "id": "UniProtKB:Q27793", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5693"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFOMNHYLVNNAPI-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cc2ccc(Oc3ccccc3)cc2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPICDXCDOPBKBN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196", "category": ["biolink:ChemicalEntity"], "name": "ASCORBIC ACID", "xref": ["InChIKey:CIWBSHSKHKDKBQ-JLAZNSOCSA-N", "SMILES:O=C1O[C@H]([C@@H](O)CO)C(O)=C1O"], "synonym": ["Ascorbic acid", "Ascorbic acid (vit c)", "Ascorbic acid", "E300", "Ascorbic acid", "Ascorbic acid", "Acide ascorbique", "Acido ascorbico", "Ascorbic acid", "3-keto-l-gulofuranolactone", "Acidum ascorbicum", "Ascoltin", "Ascorbate", "Ascorbic acid", "Ascorbic acid, l-", "Ascorbicum acidum", "L-ascorbate", "L-ascorbic acid", "Vitamin c (as ascorbic acid)", "E-300", "FEMA NO. 2109", "INS NO.300", "INS-300", "NSC-218455", "NSC-33832", "Ascor", "Ascorbic acid component of moviprep", "Ascorbic acid component of plenvu", "Ascorbic acid component of vitaped", "Ascorbicap", "Ascur", "Bassett's", "Haliborange", "Redoxon", "Redoxon c", "Redoxon chew-c", "Redoxon slow release", "Top c", "Vital life"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5183545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKMRTLFALKPRH-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=S)N(CC(O)COc2ccc(CC(N)=O)cc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOZRJREUJLVBM-YBFXNURJSA-N", "SMILES:C/C(=N\\NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSAGPRLVSMRHGK-JZJYNLBNSA-N", "SMILES:Cc1cs/c(=N\\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWTNESRLLFPTOB-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2c(O)c3ccccc3oc2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQQGGLLQBAHPR-UHFFFAOYSA-N", "SMILES:CCc1nc2cc([N+](=O)[O-])ccc2n1S(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCWQYWBTRDIIL-UHFFFAOYSA-N", "SMILES:CCNC1NN=C(Cn2c(Cc3ccc(F)cc3)nc3ccccc3c2=O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXVGJWTIMTXOL-UHFFFAOYSA-N", "SMILES:O=C(Cc1nnn[nH]1)Cn1nc(-c2ccccc2O)nc1-c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLYJQGAXQNACE-UHFFFAOYSA-N", "SMILES:NNC(=O)c1ccc(C(=O)Cn2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGIGQDMDHXLNRL-UHFFFAOYSA-N", "SMILES:Nn1c(-c2ccc(Br)cc2)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFLQDGYVVOVEZ-UHFFFAOYSA-N", "SMILES:Cc1ncc([N+](=O)[O-])n1Cc1cn(Cc2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDDVWZWJRKMCC-RZLJTWSYSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)Nc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])cc2)CC(O)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCCNGQZCZGPBDM-UHFFFAOYSA-N", "SMILES:CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWYZAYGZXELNS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUNOPKPOTYUVTL-UHFFFAOYSA-N", "SMILES:S=P(Nc1ccc(CCc2ccc(NP(=S)(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QESLUAQYSARTNW-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(Cl)c(Cl)cc2n1CC(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFLXOWMUMKZBLK-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(Cl)c(Cl)cc2n1Cc1nnc(S)n1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQUTYBLKNCJVOP-CLCOLTQESA-N", "SMILES:Oc1ccc(C2Oc3cc(O)cc(O)c3/C(=N/C(=S)Nc3ccccc3)C2O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRIDBTBBLFCNKP-WKGZRXTISA-N", "SMILES:COc1ccc(-c2c/c(=N\\C(=S)Nc3cccc([N+](=O)[O-])c3)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRDRHVSMQJNNPQ-GXIAHGADSA-N", "SMILES:COc1ccc(-c2c/c(=N\\C(=O)Oc3ccccc3)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHWEHOSQYNGOL-LURJTMIESA-N", "SMILES:C[C@H](O)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLNYOHSLSEDKX-GFCCVEGCSA-N", "SMILES:COc1ccc2cc([C@@H](C)c3nc4cc(Cl)ccc4[nH]3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKXBBZEIBURQO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXFYKHCQHPMFZ-UHFFFAOYSA-N", "SMILES:CC(C)(O)CC(=O)NCCc1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVOPMIJWESGYMJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(-c4cc(-c5ccc(Br)cc5)c(C#N)c(=N)[nH]4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCOVFXVCWRMHFE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)c1ccc(C(F)(F)F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSVZSXZWIFNMH-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKJBEWLFAYGPT-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1csc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYRFZTFZPZDGIF-PQMHYQBVSA-N", "SMILES:COc1ccc(/C=C\\C(=O)c2ccc(Br)c3cc(-c4ccc(F)cc4)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICROQBNUKGSVGS-BASWHVEKSA-N", "SMILES:O=C(/C=C\\c1ccc(OC(F)(F)F)cc1)c1ccc(Br)c2cc(-c3ccc(F)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFQVWAVVNKSCBU-UHFFFAOYSA-N", "SMILES:O=C(CCCCn1cc(-c2ccc3ncnc(Nc4ccccc4F)c3c2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4117373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXMVENNOZUEFQY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCN2c1nc(C)nc2c(Cc3ccccc3)cn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4116552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKTWBJEXJWFHY-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)c2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINWQMFPLYPJMF-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)c2nc(N)nc3c(Cc4ccccc4)c[nH]c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUKGISJTJAKGC-UHFFFAOYSA-N", "SMILES:S=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEJPGSKHUMMNJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c4ccccc34)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBVXNKJQHZUWBV-VOTSOKGWSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(/C=C/C(=O)NO)c3)c2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJVAIGFWJQMAMO-UHFFFAOYSA-N", "SMILES:CCOCCSc1nc(-c2ccccc2Cl)nn1CCOCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEAJZXYTONYTDH-RGVLZGJSSA-N", "SMILES:O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1782692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTSFVUSBPOJKD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1"], "synonym": ["NSCD-753448/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNRSVIIRRAFASZ-YFPVXSAQSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CNCC(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJIOJZJLGDREW-UKKRHICBSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CSCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBYMBRPNYRBIZ-RGGOSWGQSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWPPQFVKMZDEAS-XEPUHICDSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVXXVOFCAHBAT-HJKWLTBHSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZJXFKNJBHJCQ-UKKRHICBSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CNCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLLXEDALUPILCC-ZMQIOLJVSA-N", "SMILES:NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)CN1CCCCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNFAZVETQRDTE-SLFMBYJQSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBHJTRJFKDJUNR-HJKWLTBHSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CSCCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJTJWLGZCHZLJG-WUHRBBMRSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CSCCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYMDHNAUKQPEJ-WUHRBBMRSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CNCCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPRLLXWENDHHFB-NNWMAJRVSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGACBUPWCSUAZ-CAFPUMNPSA-N", "SMILES:Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1SCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2001850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAUDJQYHKZQPEU-YRZWDFBDSA-N", "SMILES:Nc1ncn(C2C[C@H](O)[C@@H](CO)O2)c(=O)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5209447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYWUJDOOBEYST-FRWVVBMCSA-N", "SMILES:COc1ccc(CCNC(=O)[C@@H](N)CC[C@@H](C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHYSNFCYFOANJ-OHMZXBTNSA-N", "SMILES:COc1ccc(CCNC(=O)[C@@H](N)CC[C@H](CNCc2ccccc2)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STCPLUGIGNOCFJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)CCCCNC(=N)N)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWPQBVHUNXYSR-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)CCCCCNC(=N)N)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMMXDRXZNDYBB-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)CCCCCCNC(=N)N)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOYPQGIDJDMIO-UHFFFAOYSA-N", "SMILES:CNC(=N)NCCCCC(=O)Nc1ccc2cc(C(=O)OC)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOTWQHYNCAWDG-UHFFFAOYSA-N", "SMILES:CNC(=N)NCCCCCC(=O)Nc1ccc2cc(C(=O)OC)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPSRZVIPTYVIV-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)CCCCNC(=N)N(C)C)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNGBWAKYRUOPD-UHFFFAOYSA-N", "SMILES:CNC(=N)NCCCCC(=O)Nc1ccc2cc(C(=O)O)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWHDYHTQSMABU-UHFFFAOYSA-N", "SMILES:CN(C)C(=N)NCCCCC(=O)Nc1ccc2cc(C(=O)O)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRJDUYEIFZXGM-UHFFFAOYSA-N", "SMILES:O=C(CCCCNC1=NCCN1)Nc1ccc2cc(C(=O)O)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGRFDJFHSZEAII-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=N)N)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZUVQWKMLZQGEY-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)N)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHOISSVWGJZFC-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)N)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCVJKNZRMRWIF-UHFFFAOYSA-N", "SMILES:CNC(=N)NCCCNC(=O)Nc1ccc2cc(C(=O)OC)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWTUNLXZWMSBAZ-UHFFFAOYSA-N", "SMILES:CNC(=N)NCCCCNC(=O)Nc1ccc2cc(C(=O)OC)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBCNQNCMUHBBEH-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCCNC(=O)Nc1ccc2cc(C(=O)O)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXVNVOUCCZPEA-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1ccnc1)Nc1ccc2cc(C(=O)O)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSCWVWWSUCGFF-AWEZNQCLSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)[C@@H](N)CCCNC(=N)N)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXSNTRMMVKZHK-NRFANRHFSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)Nc3ccc(OC)cc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIWVJBJPYHPOMC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cc(C(=O)O)cc(O)c2c1)Nc1ccc2cc(C(=O)O)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJPQENHVEQGHGP-UMCMBGNQSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=N)NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUWUXQSTBMRGEC-PTGPVQHPSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBOFQOGNZXZZPE-HUBRGWSESA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDKIXXYOHVHBD-VBHAUSMQSA-N", "SMILES:COC(=O)c1cc(O)c2ccc(NC(=O)NCCCCCCNC(=N)NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZLKEWKXXDOJMT-ZYWWQZICSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCCCNC(=N)NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOKJKWHZRTVQQ-HUBRGWSESA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMXKZVDCWGJXLG-VBHAUSMQSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCCC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIRWTZMMGLPFI-HMZLUZKYSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC/C=C/[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFKEPWMEQBLKI-XCPQSEKJSA-O", "SMILES:C[S+](CC[C@@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2017977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZJMDDNGUIYDW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNIZLUCMYNPQFL-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(N3CCS(=O)(=O)CC3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMNJRUHRPRIOQT-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(N3CCCCC3=O)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVMGHKVRIVQHK-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(N3CCN(c4ccccc4)C3=O)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISOZCNIBAGADHL-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(N3CCCC3=O)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDYBUACKYNEFHT-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC3=O)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCRVUMRJWROVQZ-VIFPVBQESA-N", "SMILES:C[C@H]1COC(=O)N1c1nc(-c2cnc(N)nc2C(F)(F)F)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWBMLJHHHONAMV-VIFPVBQESA-N", "SMILES:Nc1ncc(-c2cc(N3CCOCC3)nc(N3C(=O)OC[C@@H]3CO)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWBMLJHHHONAMV-SECBINFHSA-N", "SMILES:Nc1ncc(-c2cc(N3CCOCC3)nc(N3C(=O)OC[C@H]3CO)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWKKLVKWBYBYKI-SECBINFHSA-N", "SMILES:Nc1ncc(-c2cc(N3CCOCC3)nc(N3C[C@H](CO)OC3=O)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLZVCLAEDYKXPN-KRWDZBQOSA-N", "SMILES:C[C@]1(CO)COC(=O)N1c1nc(-c2cnc(N)nc2C(F)(F)F)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZKPRZGOZINHQ-CABZTGNLSA-N", "SMILES:C[C@@H]1OC(=O)N(c2nc(-c3cnc(N)nc3C(F)(F)F)cc(N3CCOCC3)n2)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZKPRZGOZINHQ-SKDRFNHKSA-N", "SMILES:C[C@H]1OC(=O)N(c2nc(-c3cnc(N)nc3C(F)(F)F)cc(N3CCOCC3)n2)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKOXIGTBKSZKN-CABZTGNLSA-N", "SMILES:C[C@H](O)[C@@H]1COC(=O)N1c1nc(-c2cnc(N)nc2C(F)(F)F)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPIKMMDBFJECAI-NWDGAFQWSA-N", "SMILES:Nc1ncc(-c2cc(N3CCOCC3)nc(N3C(=O)O[C@@H]4COC[C@@H]43)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJDYIDNXVGOGC-MFKMUULPSA-N", "SMILES:C[C@H]1OC(=O)N(c2nc(-c3cnc(N)nc3C(F)(F)F)cc(N3CCOCC3)n2)[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPJYAXKFQRBVOU-JOYOIKCWSA-N", "SMILES:C[C@H]1[C@@H](CO)OC(=O)N1c1nc(-c2cnc(N)nc2C(F)(F)F)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPJYAXKFQRBVOU-CABZTGNLSA-N", "SMILES:C[C@H]1[C@H](CO)OC(=O)N1c1nc(-c2cnc(N)nc2C(F)(F)F)cc(N2CCOCC2)n1"]}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform", "xref": ["CHEMBL.TARGET:CHEMBL5169092"], "id": "UniProtKB:A0A0G2K344", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYIZPPLCBSHXDH-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWKLHCNLHRHFMM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OCCN2c1cc(-c2cnc(N)nc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKMCCIFWUAKGRD-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQLXWBKHCYYSY-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC(c4ccccc4)C3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISSFKZTKHNKSV-UHFFFAOYSA-N", "SMILES:CNC(=O)N(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEUTVUGITJRHGR-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(NC(CO)Cc3ccccc3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCEYGOFNIRKGDZ-GFCCVEGCSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC[C@H]3CO)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAXGOTAGIFYOFF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(N)ncc1-c1cc(N2CCOC(CCO)C2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZOOJTPCLONHIL-UHFFFAOYSA-N", "SMILES:CNC(=O)N(CCO)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHRMXTJWGFFLSO-JTQLQIEISA-N", "SMILES:C[C@H]1COC(=O)N1c1nc(-c2cnc(N)cc2C(F)(F)F)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNXWURGDGPJBCM-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2cc(N3CCNC3=O)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFXOFYWNLCGEL-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc(N3CCOC3=O)nc(N3CCOCC3)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQVECHOBPSHIL-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc(N3CCCOC3=O)nc(N3CCOCC3)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWKKLVKWBYBYKI-VIFPVBQESA-N", "SMILES:Nc1ncc(-c2cc(N3CCOCC3)nc(N3C[C@@H](CO)OC3=O)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMMNSAMDSYRNEF-LBPRGKRZSA-N", "SMILES:CC1(C)OC(=O)N(c2nc(-c3cnc(N)nc3C(F)(F)F)cc(N3CCOCC3)n2)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSAIIBFWKMPEV-CJNGLKHVSA-N", "SMILES:C[C@H]1OC(=O)N(c2nc(-c3cnc(N)nc3C(F)(F)F)cc(N3CCOCC3)n2)[C@H]1CN1CC[S+]([O-])CC1"]}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform", "xref": ["CHEMBL.TARGET:CHEMBL3608198"], "id": "UniProtKB:Q9Z1L0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQPTXOWRRGLRBP-ARFHVFGLSA-N", "SMILES:CCCCC[C@H](CC(=O)OC)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4110540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BABQKRHMVVUNBI-MJGOQNOKSA-N", "SMILES:COc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C(=O)C3(c4ccc(Cl)cn4)CC3)C2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVTJPALETWZNEA-MJGOQNOKSA-N", "SMILES:COc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C(=O)C3(c4ccc(Cl)cn4)CNC3)C2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNODLMCUTYBRZ-QAPCUYQASA-N", "SMILES:N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(c3ncc(Br)cc3F)CNC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYWKWPOEWEKJN-ZRDIBKRKSA-N", "SMILES:NS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYSXNUYBLRZDFY-ACCUITESSA-N", "SMILES:CNS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQDNPCVZCNUQZ-ACCUITESSA-N", "SMILES:CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLLKOBXORMYRT-WYMLVPIESA-N", "SMILES:CN(C)C(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIAUAKCFSNYUQF-FYWRMAATSA-N", "SMILES:CC(C)(C)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWQJQVMOJMEHD-WYMLVPIESA-N", "SMILES:CN(C)S(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRSCUEUJYYKHLG-ZRDIBKRKSA-N", "SMILES:N#Cc1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLIAHZHSNMERV-ZRDIBKRKSA-N", "SMILES:O=C1C(NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-c2ccccc2C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUNQQPSQOQKYDT-WYMLVPIESA-N", "SMILES:CN(c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHAXHIIUCATPBX-ACCUITESSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWKZNGPZDIFTD-WYMLVPIESA-N", "SMILES:CC(C)Oc1ccccc1-c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHNGWVZUUYBPTF-CYBMUJFWSA-N", "SMILES:Cc1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTMLXSAEKOYYRI-CQSZACIVSA-N", "SMILES:CC(C)c1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYRMPJWEDYIOOQ-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(CC(=O)N2CCc3ccc(F)cc32)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSUPDLHHECKZJL-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(CC(=O)N2CCc3ccc(Cl)cc32)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRALMRJMHWZEOC-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(CC(=O)N2CCc3ccc(Br)cc32)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQRABNHDCTXBE-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(CC(=O)N2CCc3ccc(C(F)(F)F)cc32)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTMPEYVVEBGYEB-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(CC(=O)N2CCc3ccc(S(C)(=O)=O)cc32)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKEAJFPUDNSYIF-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(CC(=O)N2CCc3ccccc32)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVNXFZNGOQHVTR-LLVKDONJSA-N", "SMILES:C[C@@H]1CN(CC(=O)N2CCc3ccc(N)cc32)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZBQNKRRWVSFT-GFCCVEGCSA-N", "SMILES:COc1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIUNSWTUDREESN-SNVBAGLBSA-N", "SMILES:C[C@@H]1CN(CC(=O)N2CCc3cnc(Cl)cc32)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSDGHNGKNMUGI-UHFFFAOYSA-N", "SMILES:CCN1C(=O)COc2c(CN3CCN(C(C)=O)CC3)cc(Nc3ncc(F)c(-c4ccc(F)cc4OC)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOQDKZVKXILLW-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTVVTMKEGCJEF-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CC3)OCCc3sccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHOTGNJINNDPM-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2nn3c(-c4ccc(Br)cc4)nnc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOUZIJGZYHACFI-UHFFFAOYSA-N", "SMILES:CCSc1ncc(CN2CCN(c3nc4ccccc4o3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJPECUVCWNWGO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGXRJHOPJHTVBF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEUHVIBYISOOQP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(Br)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFIRFXBVUTVJNE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(C#N)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBYQQTKGIKPJMS-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCMBHXDCPOJLI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(C(F)(F)F)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZBDQBBFCXWBLF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(OC(F)(F)F)cc3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYMXOTYYFFJAP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccccc3F)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDBGMZIKYSYVGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRZKZMHISIDZRI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3cc(F)ccc3F)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGLWIYSEXNMHG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3c(F)cccc3F)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTSXLVVPIRSPT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)c(F)c3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOBOGMXNCKYMNQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3cc(F)cc(F)c3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRULLSLEIPRJJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3cc(F)c(F)c(F)c3)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBQGRIQISVWQP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(N3CCOCC3)nc3ccc(Cl)cc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAOOCPZTQGMXMH-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXOVDEACMYYQHV-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPXLXQSVSUOVSY-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3ccccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGVTCMWUBCMBV-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(-c4ccccc4)[nH]n3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNJAVZIZBWIZTF-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(-c4ccccc4)[nH]n3)c3ccccc3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGXNETUTGXURX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3ccc(F)cc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWZDFEOYWLWTIZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3cc(F)ccc3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCZDLZOHFINHD-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3ccc(Cl)cc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHLVPGEZNIDLB-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLFDVZVRVKUFIZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Br)ccc3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJKGFYRVSFJJNJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NCc3ccc(F)cc3F)nc(Nc3cc(C)[nH]n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCGIANUYCKTCGE-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NCc3ccc(F)cc3F)nc(Nc3cc(C4CC4)[nH]n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICJBABMBKPJFJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3ccc(C(F)(F)F)cc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUGFYXKIGLRJD-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3cc(F)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWSLBJUSMBYHR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3cc(Cl)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFPIUULZGWTPY-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3ccc(Cl)cc3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBXVPDNYANXIV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3cc(Br)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAGXOLJDVNAQOI-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3ccc(Br)cc3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHIYNKWKQQREL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3cc(C)[nH]n3)nc(NCc3ccc(F)cc3F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMJCVZONIXLKV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(NCc3ccc(F)cc3F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAJXKFFOWDVTPP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3cc(C(F)(F)F)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLSIYVCTRLSRIK-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3ccc(C(F)(F)F)cc3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPANHMGWPXVBQI-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc3nnnn3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1397270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDEMVNYMYPJJIM-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLKNRAMNVBQDLU-LLVKDONJSA-N", "SMILES:C[C@H](c1ccccc1Cl)N(C)Cc1cc(O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMIABLSMKGWQKD-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)C2CCN(C(C)c3cccc4ccccc34)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGPYBLOBHQLIET-OAHLLOKOSA-N", "SMILES:CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14193", "category": ["biolink:ChemicalEntity"], "name": "4-HYDROXYBENZALDEHYDE", "xref": ["InChIKey:RGHHSNMVTDWUBI-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105734", "category": ["biolink:ChemicalEntity"], "name": "SEPANTRONIUM BROMIDE", "xref": ["InChIKey:QBIYUDDJPRGKNJ-UHFFFAOYSA-M", "SMILES:COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]"], "synonym": ["Sepantronium bromide", "Bromure de sepantronium", "Bromuro de sepantronio", "Sepantronium bromide", "Sepantronium bromide", "YM 155", "YM-155", "YM155", "Sepantronium bromide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1473252", "category": ["biolink:ChemicalEntity"], "name": "SODIUM TANSHINONE IIA SULFONATE", "xref": ["InChIKey:AZEZEAABTDXEHR-UHFFFAOYSA-M", "SMILES:Cc1c(S(=O)(=O)[O-])oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C.[Na+]"], "synonym": ["Sodium tanshinone iia sulfonate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUYXKPSHTCCWFE-UHFFFAOYSA-N", "SMILES:CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)C1n1cc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTQFRDGNKBLKK-UHFFFAOYSA-N", "SMILES:CN(Cc1cn(C2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1)C1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHGPNJALICILL-UHFFFAOYSA-N", "SMILES:CN(Cc1cn(C2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1)C1=C(Br)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHJQYHRLPMKHU-OSYMLPPYSA-N", "SMILES:O=C1c2c(O)cccc2[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5080185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIJIAKBBNLGTOY-DIYXLRBJSA-N", "SMILES:COC(=O)/C=C/CNC(=O)CNC(=O)[C@H](CN)NC(=O)[C@H](CCc1nc2ccccc2s1)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCIPMPQWZUZBLU-ZFRRBFPSSA-N", "SMILES:COC(=O)/C=C/CNC(=O)CNC(=O)[C@H](CN)NC(=O)[C@H](CCc1ccc(O)cc1)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHLIVYTSIQCOG-IECKCJDVSA-N", "SMILES:COC(=O)/C=C/C(=O)NNC(=O)CCc1ccccc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMLPSFLSHMUFI-WXWBBQJKSA-N", "SMILES:COC(=O)/C=C/C(=O)NNC(=O)CCc1ccc(NC(C)=O)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUFIPTNMBHCXFA-QGZVFWFLSA-N", "SMILES:C#CC(=O)NNC(=O)CCc1ccccc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWSRKWBUUKRBC-MRXNPFEDSA-N", "SMILES:C[C@@H](NC(=O)c1ccccc1CCC(=O)NNC(=O)CCl)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVZXRROWRFCKB-QGZVFWFLSA-N", "SMILES:C[C@@H](NC(=O)c1ccccc1CCC(=O)NNC(=O)CC#N)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHIRSXUNWJSRA-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYDOTJMKOMWDQU-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1ncccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWLXOHUMYJGZPC-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESULOSOTMRSOO-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2[se]c3ccccc3c2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXWUQYDBHXZGPS-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1cc(Cl)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAADVORYRRJSIG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1-n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPQTBRRQFIZLY-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1-n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZMKOYAKHMOPIL-GIGACSBGSA-N", "SMILES:C#CC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXCENLBBWQJML-MRUBZEKTSA-N", "SMILES:CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJOOPPJNXSQMMK-BMBPZZTMSA-N", "SMILES:CCCC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBIWELOVLSUPFE-GITLDSMSSA-N", "SMILES:CCCC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMQTHGFOAZOLH-GKXKVECMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUOJCIYWLMPKQE-LGGPRVQUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSZEJLOKWOQSW-VRXHGMAYSA-N", "SMILES:CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKZJZVJWYAHDMG-VRXHGMAYSA-N", "SMILES:O=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNQEXRMUZGFQO-VFPJVFCJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKKFKJQPLZBRND-NZXZSNJESA-N", "SMILES:C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTTNEDBRSCCYES-MEFUKOJESA-N", "SMILES:CC(C)[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYJTOCZMVPNTQ-GIVYGNDYSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYZMCWTOMILGT-IMUPHZQISA-N", "SMILES:O=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHWMAUKLNIYZJN-UQHJYHGZSA-N", "SMILES:C=CC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYZPPQBOIPEAD-UQHJYHGZSA-N", "SMILES:C#CC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBVRPPSNBXMIA-XSAZPJIKSA-N", "SMILES:CCC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFGSIZXQCLBEKC-IRHFHBJPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNFUNQBJZWWNMC-WQCSGOKRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)/C=C/c1ccccc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSIVDNLIQZZKPL-YGIXKJNTSA-N", "SMILES:Cc1ccc(/C=C/C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCNC2=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWJCZGYCUTEHH-SMRBLEIJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)/C=C/c1ccc(C(C)C)cc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGHUUUXHGJESI-MFZWHCTPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)/C=C/c1ccc(-c2ccccc2)cc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHROBBMJKBDDC-SXDMNLNLSA-N", "SMILES:COc1ccc(/C=C/C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCNC2=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKECJEAQTQKSRK-FMMSGZDDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)/C=C/c1ccc(N(C)C)cc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKBRIEKSIQXIPD-HKUGMYLTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)/C=C/c1ccc(F)cc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBXUPHRIXXLIAL-CKDLJBISSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)/C=C/c1ccccc1F)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSFWLBHHPMJDFU-OJKQOYALSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)/C=C/c1cccc(F)c1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URHSEOJAMBLCGD-QDNNMPSSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INHGRHVOLGOQKS-OHCFRWENSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLZXUAMAOFTAO-LCXINAFSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDHAYFASZYZQZ-CMOCDZPBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDQBRRBXBLENGL-LJWNLINESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOFBLJETYWAIL-CMOCDZPBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLZXYDNCPITFHC-JPLJXNOCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUDRGNWMZOUFJ-LEAZDLGRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccoc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIMRDPJKJZRCMN-ZULIPRJHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHBYWSODFQWDT-TUFLPTIASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKBTEMLFSRRKK-VMXMFDLUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccnc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDWHSJXGPQHPEA-QIJZPMMNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHYRADFIGICBNN-QESAQDPVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNCLHXCOXHQMDH-QESAQDPVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOLYTGQLLOECLD-QESAQDPVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCQVHYRSFBBCDG-TUFLPTIASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C1CCOCC1)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQXLJFUOMCISEQ-SILNSSARSA-N", "SMILES:Cc1ccc(C/N=C2\\NC(=O)/C(=C3\\CCNC(=O)c4[nH]c5ccccc5c43)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAEQJFJYLBGTKS-PEZBUJJGSA-N", "SMILES:Cc1ccc(C/N=C2\\NC(=O)/C(=C3\\CCNC(=O)c4[nH]ccc43)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRHZBPCLAOKXAR-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2ccccc2OCCC)C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFZKHHVLIAEZLC-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCC#C)C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEIPYIRNESXHIP-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2O)C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAFKTIMQHXKIU-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2N)C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDADZWUJHWHEGT-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCBXAMNXDCGEP-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLMNDROHBGXSG-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cccc3c2OCO3)C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIGDMNCHIUADJ-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2ccco2)C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCGZUVEYSCTAK-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1CN(CCc1ccc(S(=O)(=O)NCC(C)(C)C)cc1)C(=O)Cc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNFSSRVCLQXAQ-UHFFFAOYSA-N", "SMILES:C#CCN(C)S(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVYOPZKUUYJUHO-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1CN(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Cc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGDNPZOKUAOWJP-UHFFFAOYSA-N", "SMILES:C#CCS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDANDDYFURDEGF-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2ccsc2)Cc2cc(Cl)ccc2OCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEYBDDPNWZRKM-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)CCCc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDFYDRCZPJLAKJ-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULZWNXTXGXYBT-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)Cc2csc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTOTSJPVAAYQL-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)c2csc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDDOZDERLRZIJ-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHISVJBPRAGMPI-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVFANIFHICLKY-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWIFJGKAWZQZHS-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAGLSFYLATULEK-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)c2csc3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMZOLQYQRVKBH-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1CN(CCc1ccc(S(=O)(=O)N2CCC2)cc1)C(=O)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHJLQWMZRCXKO-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1CN(CCc1ccc(S(=O)(=O)N2CCC2)cc1)C(=O)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSNNKAIWCROBB-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cccc3c2OCO3)C(=O)Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUNPDDGSCYSUFB-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cccc3c2OCO3)C(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJDBDYWAGDSOL-UHFFFAOYSA-N", "SMILES:C#CCS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)c2csc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFPYRFRNYALLHS-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)Cc2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHURPJUJPGHVIU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1coc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIUQMBBBBOOFLV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC3CC4(C3)CN(S(C)(=O)=O)C4)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDPCSRKNNUMHW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC3CC4(CCN(CC(N)=O)C4)C3)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCRHKHACTHUMMV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC3CC4(C3)CN(Cc3n[nH]c(=O)n3C)C4)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXWODWMYKXULHQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSELAJZJEJEUBJ-PTNGSMBKSA-N", "SMILES:COc1cccc(-c2cc(F)c(NC(=O)/C(C#N)=C(/C)O)cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEBZNLHHHZXNNQ-ATVHPVEESA-N", "SMILES:COc1cccc(-c2ccc(NC(=O)/C(C#N)=C(/C)O)cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGMTKJNNUFCIB-VBKFSLOCSA-N", "SMILES:CCOc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPBMKIVJYJXQB-LGMDPLHJSA-N", "SMILES:CCCOc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBPCQEWHQAHGNA-LGMDPLHJSA-N", "SMILES:C=CCOc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWXDVNSGSYYWDX-LGMDPLHJSA-N", "SMILES:COc1cccc(-c2cc(F)c(NC(=O)/C(C#N)=C(/C)O)cc2OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQYTAVYGRCXNG-JXAWBTAJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGAQFKPUIHLBQ-CYVLTUHYSA-N", "SMILES:CCCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRWMKBLRLWKPX-RGEXLXHISA-N", "SMILES:CCC(CC)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHNYEGAFGLSKZ-JXAWBTAJSA-N", "SMILES:COc1cccc(-c2cc(F)c(NC(=O)/C(C#N)=C(/C)O)cc2OCC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHNSCOQAHSTDNG-JXAWBTAJSA-N", "SMILES:C=C(C)COc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTWGMZJWAAZIC-PGMHBOJBSA-N", "SMILES:COc1cccc(-c2cc(F)c(NC(=O)/C(C#N)=C(/C)O)cc2OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJVSPRYGJULCJ-HKWRFOASSA-N", "SMILES:COc1cccc(-c2cc(F)c(NC(=O)/C(C#N)=C(/C)O)cc2OCc2ccccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVHFDKKWIRIAMI-JXAWBTAJSA-N", "SMILES:COc1cccc(-c2cc(F)c(NC(=O)/C(C#N)=C(/C)O)cc2OCc2c(F)cccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKHWTATVIMJFQ-VKAVYKQESA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXDBJMRNDREOPE-JXAWBTAJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTIMMGOANZBSS-SSZFMOIBSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJNQNWVMKAXFD-SDXDJHTJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBZIDOQSMDBJOR-SSZFMOIBSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSPROYBIHUBGZ-LGMDPLHJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVYDMXQWOSKZDI-LGMDPLHJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUTKJEHKEGTBQK-QINSGFPZSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGVAVHQNQMCIU-ATVHPVEESA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULTURBZVQVRYCQ-QINSGFPZSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccnc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIIFYNJOLAWHNY-QINSGFPZSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc(F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFRCUCDYIPUKS-VKAVYKQESA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(F)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGZOWCNUXAZAT-SSZFMOIBSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGISOUUIINCEGD-LGMDPLHJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODZRGSRNOQYQSQ-LGMDPLHJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOAXKYJAIZRSV-VKAVYKQESA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(Cl)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLRGOBAWIVOWFW-JXAWBTAJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cc(Cl)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFXRJLLAJRGFLY-LGMDPLHJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBYKAWZCIIUWHK-LGMDPLHJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLCUXMQBLVMLRZ-LGMDPLHJSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQAVYVVTOPUWOV-PGMHBOJBSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTZCOZFWLFPLMG-PGMHBOJBSA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGROJONMNMZJKX-VKAVYKQESA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTLNLRCPPGPFDK-VBKFSLOCSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(-c2cccc(C(F)(F)F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSXYTUOYPQUSP-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC3=C(C2)C(=O)N(Cc2ccc(C(=O)Nc4ccccc4N)cc2)C2=NCCN23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDSSOKYOCNSCO-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)N1C(=O)C2=C(CCN(Cc3ccc(C(=O)Nc4ccccc4N)cc3)C2)N2CCN=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTDMOFKCMOQEX-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC3=C(C2)C(=O)N(Cc2cccc(F)c2)C2=NCCN23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNIGAMLXDXHPKR-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC3=C(C2)C(=O)N(Cc2cccnc2)C2=NCCN23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYAYVCCDVPVGG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2C(=O)C3=C(CCN(Cc4ccccc4)C3)N3CCN=C23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAQQFMFEWFDVTG-ZRDIBKRKSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2C(=O)C3=C(CCN(C(=O)/C=C/c4ccc(Cl)cc4F)C3)N3CCN=C23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGFHPIUMAKUOSR-OUKQBFOZSA-N", "SMILES:Cc1ccc(/C=C/C(=O)N2CCC3=C(C2)C(=O)N(Cc2ccc(C(=O)Nc4ccccc4N)cc2)C2=NCCN23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUSDVPDBGQNJJM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1C(=O)C2=C(CCN(Cc3ccc(C(=O)Nc4ccccc4N)cc3)C2)N2CCN=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYSTMMUZUGAAW-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN1C(=O)C2=C(CCN(Cc3ccc(C(=O)Nc4ccccc4N)cc3)C2)N2CCN=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVWWYPVETHVKJF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2C(=O)C3=C(CCN(Cc4ccc(C(=O)Nc5ccccc5N)cc4)C3)N3CCN=C23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWARMXJIVFVEI-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2C(=O)C(CCCc3ccccc3)=C(O)N3CCN=C23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDNMWMDUGGGSO-UHFFFAOYSA-N", "SMILES:NC1=C(CCCc2ccccc2)C(=O)N(Cc2ccc(C(=O)Nc3ccccc3N)cc2)C2=NCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMPKFJHQFXYAE-UHFFFAOYSA-N", "SMILES:NC1=C(CCNC(=O)c2ccccc2)C(=O)N(Cc2ccc(C(=O)Nc3ccccc3N)cc2)C2=NCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUPMTHLUJKJIO-UHFFFAOYSA-N", "SMILES:NC1=C(CCCc2ccccc2)C(=O)N(Cc2ccc(C(=O)Nc3ccc(F)cc3N)cc2)C2=NCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXLQPJAGXHHDMC-VMQDGMSWSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCOCCOCC(=O)N[C@H]1CSCC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWPIBWNEIANCT-BZHUYTBPSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DALOQLUHPYVDBY-ZADNOSPYSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)CN)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@H]2CSCc3cccc(n3)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C2=O)[C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXDEDJWALIREE-XROANPEMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H]1CSCc2cccc(n2)CSC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSCc3cccc(n3)CSC[C@@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CCC[C@H]3C(=O)N2)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZVRFIYIHJDHAP-XTHXRYATSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CSCc3cccc(n3)CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(N)=O)C(=O)N2)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXDEDJWALIREE-XSMODHBWSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H]1CSCc2cccc(n2)CSC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSCc3cccc(n3)CSC[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CCC[C@H]3C(=O)N2)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRAUWIWJXKBLKT-WJXIWVOVSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CSCC(=O)CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(N)=O)C(=O)N2)CSCC(=O)CSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJIXDVQZFYYXNE-QWDQECCDSA-N", "SMILES:CSCC[C@H](N)C(=O)N[C@H]1CSCC(=O)CSC[C@@H](C(=O)N[C@H]2CSCC(=O)CSC[C@@H](C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C2=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMAIHBFXTGTIIF-LCTUNNTLSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)CN)CSCc2cccc(n2)CSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NETKNOOZGNOFIP-LCTUNNTLSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)CN)CSCc2cccc(n2)CSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXNLDHOMBNHQLT-INDSUJOGSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCc2cccc(n2)CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNGWULRGLYHNTE-INDSUJOGSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCc2cccc(n2)CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKWWKZPGXBTTQB-IPTDFQASSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CN)CSCc2cccc(n2)CSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLNXIPQRAINUTR-YGBGOROFSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCc2cccc(n2)CSC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHUASSRRNVGIET-NNRVURHBSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCc2cccc(n2)CSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRJJOIGTIMVXTI-HLNWOGFUSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCC(=O)CSC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCZYLBFJKIQNB-HLNWOGFUSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCC(=O)CSC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSQXKHCZCXSLI-VOYJGBGOSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCC(=O)CSC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIGMBPQXPNECHU-VOYJGBGOSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCC(=O)CSC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOAZFYPTTNESLA-WLLRZNNESA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDGKQSDVDYEDD-WLLRZNNESA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCC(=O)CSC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEMPEVVCTMZFEK-RTXJLACASA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)CN)CSCC(=O)CSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSRXQKQUBCSKBL-JUEKKKGUSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCOCCOCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEYFESDOCVUCNG-LCRLSUSQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSCJAFNZTZCELV-JHOOBHPWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CSCc2cccc(n2)CSC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSCc2cccc(n2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARTZTMPKPBTEE-PNFSPHSGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cccc(n3)CSC[C@H](NC(=O)[C@@H](N)Cc3c[nH]cn3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYMNOHSWSJTHE-BQPYSTBTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CSCc2cccc(n2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CSCc3cccc(n3)CSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC2=O)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLULLQIKPBBVHD-XIRZHKPASA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H]2CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C2=O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAXWCTVQRNGDRW-QNEXPHIMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CSCC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H]2CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC2=O)[C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)N[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPRMNLJUJBDMJ-MDKUUQCZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOWCFPMSEGDWJC-VTGDPKQBSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZTLEGVFCGIFRH-MDKUUQCZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDULLZLPKIFOF-MDKUUQCZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHCBWVUQBHPPE-DZCXQCEKSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMNAYVPFDPTUMC-VTGDPKQBSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFPYNBUHTPDWDW-MYFVKIJRSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUSQZFGDDMFEG-AMBSUKFJSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTTYNOYKHUQWMN-PVEGFDORSA-N", "SMILES:CC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCc2cccc(n2)CSC[C@H](NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNIZYCKZMOXEJ-RKNQSKIKSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSCc2cccc(n2)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METYKGYVFSESFD-PTQLHCGHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSCc2cccc(n2)CSC[C@@H](C(=O)O)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRXIUIDCCDLXLS-MNUSCXAMSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSGNBASYVMMIP-MNUSCXAMSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTAJAFLXCQARU-OUFUABJNSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H]2CCCN2)CSCC(=O)CSC[C@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKNZKHVHKEAIK-OKFTZIRFSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H]2CCCN2)CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIBAUMAHVNYSFI-LEZLZINTSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSCC(=O)CSC[C@@H](C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYWKOPKAOVRLBU-LCRLSUSQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)NCC(N)=O"]}
{"name": "Kallikrein 1-related peptidase b5", "xref": ["CHEMBL.TARGET:CHEMBL5169118"], "id": "UniProtKB:P15945", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Kallikrein-7", "xref": ["CHEMBL.TARGET:CHEMBL4295910"], "id": "UniProtKB:Q91VE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNCHLPMJSHBPHC-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)c(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJFCQUNIFGFYCR-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1ccccc1O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSADTVGKUNTNCI-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cccc(O)c1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPAXQJYDJZNAFF-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1ccc(O)cc1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJAJOVQFKNMCSF-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVIWYGIKNJZKP-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL69234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFZSRRRZNXSMF-WUKNDPDISA-N", "SMILES:Cc1nc(/N=N/c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(COP(=O)(O)O)c(C=O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5205239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYJDDJVVVMHYEH-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cccnc1Cl)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRQGABLIRBSJX-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cccc2cccnc12)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHCYLDWEYOHEV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOIMROWLLXYOH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIZZQHVKWDXRU-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBTFQHXBNQOCMQ-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1c(Br)ccc(C(F)(F)F)c1Br)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQMLRZIEVRNSP-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRSSUKLTTSNFBQ-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWGQUCEWJMMLN-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGCLFLOPHUTOJE-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBUICWZUTUKGCZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQKFSJQXALUJCS-UHFFFAOYSA-N", "SMILES:O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOACLEDRUIIESO-BQYQJAHWSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c4nccc(/C=C/c5ccccc5)c4c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQZGMKZIRZEYSL-BQYQJAHWSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(/C=C/c6ccccc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3986372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRPACLXIUKWJB-BQYQJAHWSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(/C=C/c6ccccc6)c5c4c3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUSBNCAAKVRRW-AATRIKPKSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(/C=C/c6cccc(F)c6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYIZRGVAWWBDA-ZZXKWVIFSA-N", "SMILES:COc1ccc(/C=C/c2ccnc3[nH]c4ccc(-c5ccc(N6CCN(C)CC6)cc5)cc4c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXZCEXBHMIHFDB-BQYQJAHWSA-N", "SMILES:COc1ccccc1/C=C/c1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKALTBIXIXBAF-VOTSOKGWSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(/C=C/c6ccccc6C(F)(F)F)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWWPVUMSDZFRU-GORDUTHDSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(/C=C/c6ccc(F)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDWXZZIZKQCZCZ-GORDUTHDSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(/C=C/c6ccc(C(F)(F)F)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNOWQVIKVUFSEK-VOTSOKGWSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(/C=C/c6ccccc6F)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3977662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPAXZJTXFXRGW-VOTSOKGWSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(/C=C/c6ccccc6Cl)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHRMBEHWPUZHLK-BQYQJAHWSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(/C=C/c6ccccc6NS(C)(=O)=O)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGVCZIXLVQIEAZ-LSDHQDQOSA-N", "SMILES:C/C(=C\\c1ccccc1)c1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPSVNVTMVKKFJ-FEZSWGLMSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(/C(=C/c6ccccc6)c6ccccc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLJDNLPCBISRM-OAHLVZFQSA-N", "SMILES:CC/C=C(\\c1ccccc1)c1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZXKIGKKWQUTFL-LSDHQDQOSA-N", "SMILES:COc1ccccc1/C=C(\\C)c1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3967225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDVWRWILSZWNP-XUTLUUPISA-N", "SMILES:C/C(=C\\c1ccccc1C(F)(F)F)c1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIRBRGQMPPSTCS-RCCKNPSSSA-N", "SMILES:CC(C)[Si](/C=C/c1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12)(C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQQEJBCJAGIIZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(Cl)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGMUABGJGHKPSH-VOTSOKGWSA-N", "SMILES:CN1CCC(N2CCN(c3ccc(-c4ccc5[nH]c6nccc(/C=C/c7ccccc7C(F)(F)F)c6c5c4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWGIZRMZIDZDGJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(C#Cc6ccccc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWIADMVUWVTNBI-UHFFFAOYSA-N", "SMILES:COc1ccccc1C#Cc1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQZCNQRRJBJKBL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(C#Cc6ccccc6C(F)(F)F)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFDZACVYLRGMS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(C#Cc6ccc(F)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPINGLWQRJSMX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(C#Cc6ccccc6F)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWBAFSLGFMFSLI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(C#Cc6ccccc6Cl)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXUVZJOLJGULH-UHFFFAOYSA-N", "SMILES:C[N+]1(C)CCN(c2ccc(-c3ccc4[nH]c5nccc(C#Cc6ccccc6C(F)(F)F)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3967080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGJAFFIVRBHLV-UHFFFAOYSA-N", "SMILES:CC(C)[Si](C#Cc1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12)(C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYXRSLJLMFWDJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(Nc6cccc([N+](=O)[O-])c6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWMRYWSIYWPFBY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(Nc6ccccc6[N+](=O)[O-])c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJYKAVBJUDSLL-UHFFFAOYSA-N", "SMILES:CN1CCC(N2CCN(c3ccc(-c4ccc5[nH]c6nccc(Nc7ccccc7[N+](=O)[O-])c6c5c4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KODBLYGFRKCPBS-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YECHHPQMVZSFCN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(-c7ccccc7)cc6F)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWYFQCLCJZFBY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6cccc(-c7ccccc7)c6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSCWFQTVXDLKTI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(-c7ccccc7)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYISIMMRQMQISP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(-c7cccc8ccccc78)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOVOSFIEKBZYDH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(-c7ccc(F)cc7)nc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKEWZLQRXXVJJD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(Cc7ccccc7)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRFIIWYYBNROF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(N6CCN(Cc7ccccc7)CC6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3912968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPRYFBLLSBIUNB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(N6CCC(Cc7ccccc7)CC6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDTVALVKGKOLC-UHFFFAOYSA-N", "SMILES:CN1CCC(N2CCN(c3ccc(-c4ccc5[nH]c6nccc(-c7ccc(Cc8ccccc8)cc7)c6c5c4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCABFTYLXOIPID-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(Cc7ccccc7)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINNPWUWJAFATL-UHFFFAOYSA-N", "SMILES:C#CCN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(Cc7ccccc7)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXLKLYQJLKPPT-UHFFFAOYSA-O", "SMILES:C[N+]1(CC(=O)O)CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(Cc7ccccc7)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLGKUFLUAAWGDC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(C(O)c7ccccc7)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSPNECZNBHJNW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(C(=O)c7ccccc7)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVNKSOITCBCIN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(Oc7ccccc7)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBHQPXXUWKLHMV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccc(-c3ccnc4[nH]c5ccc(-c6ccc(N7CCN(C)CC7)cc6)cc5c34)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOWOHEPLDDZSCT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc3[nH]c4ccc(-c5ccc(N6CCN(C)CC6)cc5)cc4c23)c(OC)cc1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPPWDDNCGUAMGE-UHFFFAOYSA-N", "SMILES:COc1cc(C(O)c2ccccc2)c(OC)cc1-c1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUXIIHQTPQRTM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2ccccc2)c(O)cc1-c1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHADXKVVSTNRO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc3[nH]c4ccc(-c5ccc(N6CCN(C)CC6)cc5)cc4c23)c(OC)cc1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JODUQBSPTQNAJZ-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2ccccc2)c(O)cc1-c1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQXNGIWVUFJDFZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(Cc7ccccc7)c(C(F)(F)F)c6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBWVWJOSBMUPU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(Cc7ccccc7)cc6C(F)(F)F)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDVYHMRAJKGHT-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2ccc(-c3ccnc4[nH]c5ccc(-c6ccc(N7CCN(C)CC7)cc6)cc5c34)cc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORZSEQDYHXSNSS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(OCc7ccccc7)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYTWENIMWJOMFQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(COc7cccc(C(F)(F)F)c7)cc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZCOFOPFQGBHY-ZHACJKMWSA-N", "SMILES:C(=C/c1ccnc2[nH]c3ccccc3c12)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1825138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEIFNKAUNYNJU-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBELTEOVTJQLIX-BQYQJAHWSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3ccc4[nH]c5nccc(/C=C/c6ccccc6)c5c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWCDZDSEFWPQC-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCN(c3ccc(-c4ccc5[nH]c6nccc(-c7ccc(Cc8ccccc8)cc7)c6c5c4)cc3)CC2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETGECVEVXOBDQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc3[nH]c4ccc(-c5ccc(N6CCN(C)CC6)cc5)cc4c23)cc(OC)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBOHADCRSTJAO-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAHSFHOHRNWRNW-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3ccccc3F)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDLYFQASCEPFJ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXYZNYWBHWOAET-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSMIKJFQXVXGX-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CC=C(c3cnc(C(=O)NCC(=O)O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHQCGTRUWZKEAG-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RASOZFHCFUMEEF-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBIFGVINBFLOZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)N2CC=C(c3cnc(C(=O)NCC(=O)O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKMQFEBTOQBTLR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)N2CC=C(c3cnc(C(=O)NCC(=O)O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKIBFQBTIUMLSC-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3ccccc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNQGEQBLJNOEW-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3cccnc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIBYWJCKWURIE-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3cccs3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALORIGXRWHGZRN-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYXWJAJIFRJOAM-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUGBWLNYKDAOOT-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTBSQVGHCYOJN-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAQGZTRSKFJAAT-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZYHOSGNVGVML-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGQNZZUXYCAEHP-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSHGLCACIWIQM-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWDPEBVVIGUEX-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJFIXMLUUKJSS-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(Cc3ccc(Cl)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFJLOFKORNUNM-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(Cc3ccc(Cl)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOOJLNXKDJMSMX-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJOBHFDYRXLYBV-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2=CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXAKMAAZJJHCB-XMTFNYHQSA-N", "SMILES:CCCCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMGUPFDAVSAED-OPRDCNLKSA-N", "SMILES:CCCCN1C[C@H](CO)[C@@H](O)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMOGEIHEVCZMA-ZYUZMQFOSA-N", "SMILES:CCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMSPEQOEFDFBDC-GWOFURMSSA-N", "SMILES:CCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCDSIQDIBIMCV-DDHJBXDOSA-N", "SMILES:CCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYXGHBDCJJNMV-FDYHWXHSSA-N", "SMILES:CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNPXCOTCYRPEY-AAVRWANBSA-N", "SMILES:CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRHAMJXOJCJAO-KBUPBQIOSA-N", "SMILES:CCCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFHPRXXBOYYMCJ-KLHDSHLOSA-N", "SMILES:CCCCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDKLZDILUXXVQV-QBPKDAKJSA-N", "SMILES:CCCCCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGACFOJZAZEING-BRSBDYLESA-N", "SMILES:CCCCCCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAUJNJKIHJSYDO-BYNSBNAKSA-N", "SMILES:CCCCCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKVHGYTSPUHNA-LPEHRKFASA-N", "SMILES:O[C@@H]1[C@@H](O)CN[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INZOIBIOQAJDOV-BTFIMFBOSA-N", "SMILES:OC[C@H]1N[C@H](CCCCCCCC2CCc3ccccc3C2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL110830", "category": ["biolink:ChemicalEntity"], "name": "DIDEOXYIMINOXYLITOL", "xref": ["InChIKey:RMCNETIHECSPMZ-SCDXWVJYSA-N", "SMILES:O[C@H]1[C@H](O)CNC[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5189151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYPOMDXOXCTJU-LHBNMAMBSA-N", "SMILES:CCCCCCCCCC1NC[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAJZSYMTLQYDO-VWYCJHECSA-N", "SMILES:CCCCCCO[C@H]1CNC[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCQAYZKXOHTZMA-QKWXXBCPSA-N", "SMILES:Cl.O[C@H]1[C@H](CCCc2ccccc2)NC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCQAYZKXOHTZMA-NLPVPVDASA-N", "SMILES:Cl.O[C@H]1[C@H](O)CN[C@@H]1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3751947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEBIHBLFRADNM-VPENINKCSA-N", "SMILES:OC[C@@H]1NC[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5199608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTRRFXCFLIXEI-OAINAWNSSA-N", "SMILES:Cl.O[C@@H]1[C@@H](O)CN[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXPFAEQGPKIXCM-OAINAWNSSA-N", "SMILES:Cl.O[C@@H]1[C@@H](O)CN[C@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUFELKCICVYEW-PBDVDRNWSA-N", "SMILES:Cc1ccc([C@@H]2NC[C@H](O)[C@H]2O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNWLMXMXWWBPBH-MLZPLGHASA-N", "SMILES:Cl.O[C@@H]1[C@@H](O)CN[C@H]1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXPFAEQGPKIXCM-RIHXGJNQSA-N", "SMILES:Cl.O[C@H]1[C@H](O)CN[C@@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUFELKCICVYEW-NQHCQCOHSA-N", "SMILES:Cc1ccc([C@H]2NC[C@@H](O)[C@@H]2O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNWLMXMXWWBPBH-IFKKJYDISA-N", "SMILES:Cl.O[C@H]1[C@H](O)CN[C@@H]1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVKRFZCPICHXHG-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccccc2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUGSRVRSKMNQK-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccccc2Cl)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLFPLRGFSFBGW-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cccc(Cl)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBHZHGRWMMFRK-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccc(Cl)cc2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKKDDLNCLHLJTF-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccccc2Br)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBFSFIGTBHLEBO-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cccc(Br)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJNYCSBEADHKC-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccc(Br)cc2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRPIRVXZBWCGNP-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccccc2F)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNTOLFXTXCCTNN-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cccc(F)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPFZHSNPQXYUPZ-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccc(F)cc2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZMRJEOICJOYBX-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccccc2C(F)(F)F)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXGDZBCJSMFBPB-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cccc(C(F)(F)F)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXUAGZYKSBYRK-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccc(C(F)(F)F)cc2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXDAPOCVEZSGLL-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(C#N)c1nc(SC(C)C)[nH]c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEUTWIFVGFLACT-UHFFFAOYSA-N", "SMILES:COc1cccc(C(C#N)c2nc(SC(C)C)[nH]c(=O)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTGCDSXNYDKPLZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C#N)c2nc(SC(C)C)[nH]c(=O)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILVFWCVCLOGND-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(C#N)c1nc(SC(C)C)[nH]c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIKLKIOTOHWKDU-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(C#N)c2nc(SC(C)C)[nH]c(=O)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYWROWVUYCTUIN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C#N)c2nc(SC(C)C)[nH]c(=O)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJYWSVRYOFDROM-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccc(C(C)C)cc2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNFHEBORPNRLTI-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cccc3c2OCO3)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGDGECYHFFCPW-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2c(F)cccc2F)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPEYQNQGSJIYIA-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cc(F)cc(F)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APNUZCIJOYGEAN-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2c(Cl)cccc2Cl)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZAKZPXHIHUAEA-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cc(Cl)cc(Cl)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAEHBCGBBOPQIS-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1C(C#N)c1nc(SC(C)C)[nH]c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJXZUMBHVMSQL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(C#N)c2nc(SC(C)C)[nH]c(=O)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNANUIZTCHNCO-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2c(F)cccc2Cl)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFLHVUKBBULCL-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cc(F)cc(Cl)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGBGXMFSSXZVFZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(C#N)c2nc(SC(C)C)[nH]c(=O)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSNHBSJAARBXKK-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cc(Cl)cc(C(F)(F)F)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSPFERFUWZEDJ-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZAVQWGXGWAQT-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(C(C#N)c2nc(SC(C)C)[nH]c(=O)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBCRUZQWDOAYMA-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccc(F)c(C#N)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASHKUEYELFJAAG-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccccn2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYYUOYOQGFEIBM-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cccnc2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFOYKQPCGEDNI-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2cccnc2Cl)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNGYLQNVRHQTA-UHFFFAOYSA-N", "SMILES:Cc1c(C(C#N)c2ccc(Cl)nc2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1997422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYEJLAPAHGAIEO-OPEKNORGSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3191468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBYZJBUYFAWAF-OPEKNORGSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOCBQYUOFCWRQ-CCVNUDIWSA-N", "SMILES:O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTZWLEQDHMEVFG-RWPZCVJISA-N", "SMILES:Cc1ccc(-c2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZDSGPRRWGGPQW-OPEKNORGSA-N", "SMILES:Cc1cc(-c2ccc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUVWGSZCNPXIOJ-NGYBGAFCSA-N", "SMILES:Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYTNHSXZOSSYJN-CNHKJKLMSA-N", "SMILES:Cc1cc(-c2ccc(/C=N/NC(=O)Cn3nnnc3N)o2)c([N+](=O)[O-])cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOEJXYIQBFBWOS-WSDLNYQXSA-N", "SMILES:O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQBYNPMGJUPKT-SRZZPIQSSA-N", "SMILES:O=C(N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKVSLPHHAKGHBI-DHRITJCHSA-N", "SMILES:Cc1cc(-c2ccc(/C=N/NC(=O)C(NC(=O)Cc3ccco3)C(C)C)o2)cc([N+](=O)[O-])c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCQQRJWMILJZIH-LICLKQGHSA-N", "SMILES:C=CCNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIJUUDMSMYTRLR-YDZHTSKRSA-N", "SMILES:Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=S)NCc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBUVKGUABINJT-ZVHZXABRSA-N", "SMILES:Cc1c(NC(=S)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1992382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXBHVMNLTVALLC-VGOFMYFVSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1994837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZTASKRPWMAJOD-VGOFMYFVSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAAQQGFFRHANNZ-VIZOYTHASA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBFDUEHBZPUKMB-VIZOYTHASA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENMRPZCTPXANV-SRZZPIQSSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(/C=N/NC(=S)Nc3ccc(Cl)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHVGPWKCTUJCEH-BHGWPJFGSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(/C=N/NC(=S)Nc3cccc(C(F)(F)F)c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYZXMONCABDMT-FRKPEAEDSA-N", "SMILES:COc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(N)=S)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVGDFOBROJVGJ-GIDUJCDVSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCURYSQJGREHOP-FRKPEAEDSA-N", "SMILES:N#Cc1cc(-c2ccc(/C=N/NC(N)=S)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCNYUKPPQGNMZ-LZYBPNLTSA-N", "SMILES:COc1ccc(-c2ccc(/C=N/NC(N)=S)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1990036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPPSSQLRMZVJFH-OMCISZLKSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIPATJIGZGRNFA-VGOFMYFVSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccncc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCVXWMNMYUZKE-GIDUJCDVSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(F)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPRNBMHOLQBNSR-VCHYOVAHSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2cccc3ccccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAWWYRDWUGJLBZ-VCHYOVAHSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc3ccccc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZRTVFIPPLCSL-GIJQJNRQSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc3cccnc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGMNUGZBUPHID-GIJQJNRQSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2cnc3ccccc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBXQTXDIZFVHDT-OQLLNIDSSA-N", "SMILES:NC(=S)N/N=C/c1ccc(Cc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYEGXKYSNJHGJJ-FRKPEAEDSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(/C=N/NC(N)=S)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOFGZGVYCFBPQV-VIZOYTHASA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1965444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPAAZKBGLEFFX-RIYZIHGNSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTBGTWLYFLQQZ-OMCISZLKSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMSGRSEYWWBNI-FRKPEAEDSA-N", "SMILES:Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(N)=S)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYIXDWVMGJFRGR-GIDUJCDVSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)c(O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMAGOQZMNBRPOU-OMCISZLKSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCALQYOEHVUZLN-OMCISZLKSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2cccc(C(=O)O)c2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHQLXTMPSYSNTB-OMCISZLKSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVWAWSPWVCDCIL-OMCISZLKSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGUUVBDAVRWET-GIDUJCDVSA-N", "SMILES:NC(=S)N/N=C/c1cc(-c2ccc(C(=O)O)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXNBSYADRMCVPG-VIZOYTHASA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFVWKCJKTFQHMY-RQZCQDPDSA-N", "SMILES:NC(=S)N/N=C/c1cccc(-c2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFAQWFUMABMGG-RQZCQDPDSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQADKMXSTHQOPG-YSURURNPSA-N", "SMILES:O=C(O)c1cc(-c2ccc(/C=N/Nc3nc4nonc4nc3Nc3ccc(Br)cc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBDJSRJWABHDDB-ZDLGFXPLSA-N", "SMILES:O=C(O)c1cc(-c2ccc(/C=C3\\NC(=O)N(Cc4ccccc4F)C3=O)o2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOAWSGVWLPDFX-XWGVYQGASA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccn(C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBWMYPKAPIYTJQ-VMBFOHBNSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3ccc(OC(F)(F)F)cc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKMXUANGCYJLV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC1CC1)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVLBUWFLECOVCQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC1CC1)CC(CC1CCN(Cc3ccccc3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPISIRFHSRJHQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC1CCCC1)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQOYPLAIDVTSDH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC1CCCC1)CC(CC1CCN(Cc3ccccc3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIJSDIXJWZNNI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC(C)C)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJIDCNXSKQHHHT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC(C)C)CC(CC1CCN(Cc3ccccc3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQWRPNYOMCCISX-CXUHLZMHSA-N", "SMILES:COc1cc2c(cc1OC1CCCC1)C(=O)/C(=C/c1cccnc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRQDRGRCKHRJK-CXUHLZMHSA-N", "SMILES:COc1cc2c(cc1OC1CCCC1)C/C(=C\\c1cccnc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBWXPSEZIYZDG-MHWRWJLKSA-N", "SMILES:COc1cc2c(cc1OC1CCCC1)C(=O)/C(=C/c1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHYANBVMPINCHN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC1CC1)C(=O)C(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTKKOYLKHHHMJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC1CCCC1)C(=O)C(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJUFHNWEKCJQFQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC1CCCC1)CC(Cc1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCEXEXLUPAXXNC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCC(C)C)CC(Cc1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOZQPRFSKFDNEM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC1CCCC1)C(=O)C(Cc1ccccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHXPYCBRMLZCDN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCCN1CCCC1)C(=O)C(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIFLUKKUGOFSQK-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKJZSCXTPVDYEV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCCN1CCCCC1)C(=O)C(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWASZTUNZDMFL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OCCN1CCCCC1)C(=O)C(Cc1cccnc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQMMOGOZYHZYRO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC1CCCC1)C(=O)C(Cc1cccnc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFRLXQGMZPMLA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2ccc(OC)cc2)oc1C"]}
{"name": "Programmed cell death protein 4", "xref": ["CHEMBL.TARGET:CHEMBL1781868"], "id": "UniProtKB:Q53EL6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXCMSTGPRZRAMW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2ccc(C)cc2)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFBUVIPHIDIOPW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2ccc(Cl)cc2)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBVDJAFDNBQCL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2ccc(Br)cc2)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVGQYITPUWMOH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHMBILIIONVKC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2ccc(OC)cc2)oc1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLOEOCGCFXFSG-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C(=O)OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAOMADZGHMCYKV-GFCCVEGCSA-N", "SMILES:COC(=O)[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHWRUJAUYLKEGG-GFCCVEGCSA-N", "SMILES:COC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2147751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIHPJNQKVPGOCY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2ccccc2)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVYPGPQFHCYTB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2ccc(OC)c(OC)c2)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKFSGQGCGGILOE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTKYTBWZTZPHF-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccccc2)nc1CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZPNWWYXZSYJO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(CCl)c(C)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWEJNAPEPLYACX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(CCl)c(C)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSAFEPFUPOBJFZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(CCl)c(C)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZZOBOWGDDNXRM-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccc(Cl)cc2)nc1CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNFIIPOWDZZLJ-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccc(OCc3ccccc3)cc2)nc1CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRFLLNBOLECJN-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccc([N+](=O)[O-])cc2)nc1CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVYQZNMTIBJBC-JOCHJYFZSA-N", "SMILES:COC(=O)[C@@H](C(C)C)N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLIMGUQOPGOXFA-HSZRJFAPSA-N", "SMILES:COC(=O)[C@@H](C(C)C)N(Cc1nc(-c2ccc(OC)cc2)oc1C)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQHQEZHWHOOTP-XMMPIXPASA-N", "SMILES:COC(=O)[C@@H](C(C)C)N(Cc1nc(-c2ccc(OC)c(OC)c2)oc1C)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMBFDWGHGARRKH-XMMPIXPASA-N", "SMILES:COC(=O)[C@@H](C(C)C)N(Cc1nc(-c2cc(OC)c(OC)c(OC)c2)oc1C)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMXOXSBLAGCVTA-JOCHJYFZSA-N", "SMILES:COC(=O)[C@@H](C(C)C)N(Cc1nc(-c2ccc(Cl)cc2)oc1C)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFOOPXOIUVEKDU-GDLZYMKVSA-N", "SMILES:COC(=O)[C@@H](C(C)C)N(Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1C)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTJQPVMDTRHQFF-JOCHJYFZSA-N", "SMILES:COC(=O)[C@@H](C(C)C)N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1C)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZWYAKLBLNQNEG-JOCHJYFZSA-N", "SMILES:COC(=O)[C@@H](C(C)C)N(Cc1nc(-c2ccc(Cl)cc2)oc1C)S(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUWBKHBFHQONM-HSZRJFAPSA-N", "SMILES:COC(=O)[C@@H](C(C)C)N(Cc1nc(-c2ccc(OC)cc2)oc1C)S(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNNRGVHKSYBLGC-XMMPIXPASA-N", "SMILES:COC(=O)[C@@H](C(C)C)N(Cc1nc(-c2ccc(OC)c(OC)c2)oc1C)S(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHHSGJTMYQGHC-OAQYLSRUSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)oc2C)[C@@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHZDEGEYWCQTB-JOCHJYFZSA-N", "SMILES:COc1ccc(-c2nc(CN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c3ccc(OC)cc3)c(C)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LISGMYOALBWRLR-HSZRJFAPSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)[C@@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZABEZHANOPHJ-HSZRJFAPSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)oc2C)[C@@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABMSPVUDEUETDI-OAQYLSRUSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)oc2C)[C@@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDFRGPMOLDDQBI-MUUNZHRXSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(OCc4ccccc4)cc3)oc2C)[C@@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDYILWEVYAYDC-OAQYLSRUSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)oc2C)[C@@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGTGJYRQPSDARM-OAQYLSRUSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)oc2C)[C@@H](C(=O)O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVWNZCKCPADQR-JOCHJYFZSA-N", "SMILES:COc1ccc(-c2nc(CN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKRYNMBGONJIU-HSZRJFAPSA-N", "SMILES:COc1ccc(-c2nc(CN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGROTBJHWGHJV-OAQYLSRUSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)oc2C)[C@@H](C(=O)NO)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWZBNGGMONJMO-JOCHJYFZSA-N", "SMILES:COc1ccc(-c2nc(CN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c3ccc(OC)cc3)c(C)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPYCNRCBWMKKE-HSZRJFAPSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)[C@@H](C(=O)NO)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVRDUZQSXGTTSY-HSZRJFAPSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)oc2C)[C@@H](C(=O)NO)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CETQDVWYQQVKEU-UHFFFAOYSA-N", "SMILES:Cc1c(N)cncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C(C)C)CC4)ncc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFKMPSAJAXBBL-UHFFFAOYSA-N", "SMILES:Cc1c(N)cncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C(C)C)CC4)ncc2c(N)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKFZMTSRRQSGEY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3nc(-c4c(N)c5ccsc5[nH]c4=O)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVLFEWNYZXVCHO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3nc(-c4c(N)c5sccc5[nH]c4=O)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWCVGHXDHVKGAQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKCVIEAEQWBROQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n1)CN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMJPEYLVIWZSKT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n1)CN(C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCALPMNDTLQRTH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Br)c(Nc3ccccc3P(C)(C)=O)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXCLJAYBOJECIX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(F)(F)F)c(Nc3ccccc3P(C)(C)=O)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIDJCGDDHITGX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN(C)C3)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYYJSPXAHPDSQ-DEXQXJORSA-N", "SMILES:C[C@H]1CC(=O)c2ccc(Nc3cc4c([C@](C)(N)C5CC5)cnc(OC5CC5)c4cn3)cc2C12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEPQNFYKJAJJX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(Cl)c(N3CC(CO)c4ccccc43)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOUPIVNJBTLLM-MLPAPPSSSA-N", "SMILES:Cc1ccncc1-c1cc2cc(NC(=O)C=C3CC(C#N)C3)ncc2c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNUQSMJDUPVMCV-NZVBXONLSA-N", "SMILES:C[C@H]1COC(=O)N1c1cc(N)c2nnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKDYGARMELOJMC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4cccc(F)c4)c3)n2)cc2c1CCN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGABYPLXBWLABT-MRXNPFEDSA-N", "SMILES:Cn1cc(Nc2ncc(C3=CCC[C@@H](NC(=O)c4ccccc4)C3)nc2C(N)=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJAFMBDPAKRHJ-UHFFFAOYSA-N", "SMILES:CC(CO)CNC(=O)c1c[nH]c2ncc(-c3ccc(C4CCOCC4)c(CN(C)C)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPEBGDVLSIQPRN-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccc2nnc(NC(=O)C3CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGQEXUWUBQQTP-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cc(N)c2nnc(NC(=O)C3CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRMRMICQRLBKQN-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSUUZWUFKJLGF-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cc(N)c2cnc(NC(=O)C3CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGBSEGIUDLKAR-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMLKKSXFARWLM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2cc(NC(=O)C3CC3)ncc2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXMJRJYFRKDBBP-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOMTQMYUKPQBG-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-n1cc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUMIRSFNLPBJK-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(NCc3ccc(N4CCN(C)CC4)cc3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHVWRKGAOXQDA-UHFFFAOYSA-N", "SMILES:Cc1cc(CNCCO)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYGUDLQPXJIGIR-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZKIKAJPAIEHC-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1ccc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCNOIBHFLJSKIV-UHFFFAOYSA-N", "SMILES:CCc1c(Cl)[nH]c2nc(C(=O)N(C)C)c(N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVVVYXYIKNZEV-UHFFFAOYSA-N", "SMILES:CCc1c(C)[nH]c2nc(C(=O)N(C)C)c(N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXIOKCFOFABKQ-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(N)c(C(=O)N(C)C)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBRYERBCGOMNV-AVJYQCBHSA-N", "SMILES:Cc1c(CC#N)ccnc1-c1cccc(-c2cnc3c(c2Cl)C2(CC[C@@](C)(C(N)=O)C2)CN3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQWNZMEPQAVGZ-SVBPBHIXSA-N", "SMILES:Cc1c(CC#N)ccnc1-c1cc(N)cc(-c2cnc3c(c2Cl)[C@]2(CC[C@](C)(C#N)C2)CN3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFRIYGXJIZPPJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOCC1)Nc1ccc(Oc2ccnc3[nH]cc(C(F)(F)F)c23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIVPOEPNFMZRLH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEVBWPJNIFJCM-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc5c(c4)CNCC5)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAOZYBUEQYWJLR-GUCAGZRVSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc5c(c4)CN([C@H]4CC[C@](C)(O)CC4)CC5)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYTSWERMKSCHJV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC(N(C)C)C5)cc4)c3c2)cc(C)c1N1CCN(C2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSOTUXYDRENNF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(O)C5CCN(C)C5)cc4)c3c2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLUEVLXUNEOCS-KDYSTLNUSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C[C@H](C)O)cc4)c3c2)cc2c1N1CCN(C)C[C@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQWHDQVBKWCXHM-UHFFFAOYSA-N", "SMILES:COCCN(C)C(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGDTZFMUPNTMET-QHCPKHFHSA-N", "SMILES:Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C[C@H](C)O)cc4)c3n2)cc2c1CCN(CCN1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFYAPYOPNQVMOJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(C#N)c(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLAZOTSEYGDCSN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncnc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPBLMLGPKXKCHA-BKUYFWCQSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(F)c(-c4cnc5c(c4C)NCCO5)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJATNVPKUEJBO-QNGOZBTKSA-N", "SMILES:CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\\C(=O)Nc3ccc(-c4c(F)cccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQLMUWQNXPATGV-KQWNVCNZSA-N", "SMILES:C/C(Nc1ccc(N2CCOCC2)cn1)=C1/C(=O)Nc2cnc(-c3cnccc3C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWZWDKHYUREIF-OAHLLOKOSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CN)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOYAGYCUGBXRJM-ZDUSSCGKSA-N", "SMILES:CNCc1nc(C2(C)CC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3C)n1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAOSPHRCFBQHLA-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1cc(Br)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAASKYORHFWXIY-HNNXBMFYSA-N", "SMILES:Cc1cc(C)c2c(c1)/C(=N/Nc1ccc(C(=O)N3CCC[C@@H]3C)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCFABHKBPWVNPW-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(NC(=O)c3n[nH]c4ccccc34)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGAYJAVKGGEFO-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGZHFHJGRRASB-MRXNPFEDSA-N", "SMILES:CCCC[C@@H](CC)CNC(=O)c1ccc(N/N=C2\\C(=O)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCQZXASVNYNLW-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2nnc(C)n2c(=O)c1CC(=O)Nc1ncc(Cc2ccccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJNWUKRWOQERPQ-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)O)c4)c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARIUNSYARKSUAQ-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2ccnc(Cl)c2)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYSMKZMGBISPX-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2cccnc2)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISSGLCFSAVMBW-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2ccncn2)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELFLRFPUQAHBD-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2ccnc(Cl)c2)cc1Nc1nccc(-c2cn(CCCO)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXCLWFXPSGRATM-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2ccncc2OC)cc1Nc1nccc(-c2cn(CCCO)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHJFMZZBAABTI-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2ccncn2)cc1Nc1nccc(-c2cn(CCCO)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCBFSRQOANRJLL-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2cnccn2)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOAFSSMPYWBDR-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2ncccn2)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEHQNVFXABRSAI-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2ccncn2)cc1Nc1nc(-c2cn(C)c3ccccc23)c2cccnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWTOVZQZCNMAGB-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2ccncc2)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDANLPONAOSDC-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2ccncc2OC)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYDMNIKAMFEVQV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(Nc3nccc(-c4cn(C)c5ccccc45)n3)c(OC)cc2N(C)CCN(C)C)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFAZKJWIROMCEC-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2nccn2C)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWMAJBYMLHNJRL-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)c2nccn2C)cc1Nc1nc(-c2cn(C)c3ccccc23)c2cccnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFYWXBSNMOKOK-JVVVGQRLSA-N", "SMILES:Cc1ccc2nc(-c3ccc(N[11CH3])cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOPVJYUCSQVMJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(N(C)C)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDWAILCLZWRIP-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2ccc3cc(-c4nc5ccccc5s4)c(=N)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1314043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPYYACQUPIKLE-UHFFFAOYSA-N", "SMILES:CC[n+]1c(/C=C/C=C/c2ccc(N(C)C)cc2)sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVXQJYXODFZTBR-KAVGSWPWSA-N", "SMILES:CN(C)c1ccc(/C=C/C2=CC(/C=C/c3ccc(N(C)C)cc3)=[O+][B-](F)(F)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVUZPAULHWGSI-UHFFFAOYSA-M", "SMILES:COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)cc3)ccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDMMNQLFBKFXQB-UHFFFAOYSA-M", "SMILES:COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)cc3)ccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXINOKZMVQXGS-UHFFFAOYSA-M", "SMILES:COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)c4ccccc34)ccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVDZWHAOKTDLF-UHFFFAOYSA-M", "SMILES:COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPBSQPFNJARHJ-UHFFFAOYSA-M", "SMILES:CCO[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)c2ccccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOWSNYIKVXUJA-UHFFFAOYSA-M", "SMILES:CCCN(CCC)c1ccc(/C=C/c2cc[n+](OCC)c3ccccc23)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMSDKQTHSEFJL-UHFFFAOYSA-M", "SMILES:C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXVASZSUFMGKK-UHFFFAOYSA-M", "SMILES:COCCOCCn1c2ccc(F)cc2c2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRLMXPLSCQLHRQ-UHFFFAOYSA-M", "SMILES:CCCCN(CCCC)c1ccc2cc(/C=C/c3cc[n+](C)c4ccccc34)ccc2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNBYFNVRGXISEG-UHFFFAOYSA-M", "SMILES:CCCCN(CCCC)c1ccc2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCNOOROLGCVDKV-GVYCEHEKSA-M", "SMILES:CCCCN(CCCC)c1ccc2cc(/C=C/c3c[n+](C)cc4ccccc34)ccc2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWDRYDBOAMQSO-AOEKMSOUSA-N", "SMILES:CCN(CC)c1ccc(/C=C/C2=CC(/C=C/c3ccc(N(C)C)cc3)=[O+][B-](F)(F)O2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUKZTIXCKBIDR-UTLPMFLDSA-N", "SMILES:CCN(CC)c1ccc(/C=C/C2=CC(/C=C/c3ccc(N(CC)CC)nc3)=[O+][B-](F)(F)O2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCVALACAXIWLV-KAVGSWPWSA-N", "SMILES:CN(C)c1ccc(/C=C/C2=CC(/C=C/c3ccc(N(C)C)cc3)=[O+][B-]3(OC(=O)C(=O)O3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDFFGVTUEQJYQK-WXUKJITCSA-N", "SMILES:Cc1c(/C=C/C2=CC(/C=C/c3cnn(-c4ccccc4)c3C)=[O+][B-](F)(F)O2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPKAWACIDJFJR-HNMVIIMASA-N", "SMILES:COc1cc(/C=C/C(=O)/C(Cc2cn(CCCCCCNC(=O)CCNC(=O)CCNC(=O)CO[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6CC[C@H]([C@@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)nn2)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMTBMZPGJSRNCT-RAMXQMIISA-N", "SMILES:CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3ccc(-c4ccc([125I])cc4)s3)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFARWNGBCHXSTB-GGWOSOGESA-N", "SMILES:CN(C)c1ccc(/C=C/C=C/C=C(C#N)C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSSJKPZEUTVBQV-KQQUZDAGSA-N", "SMILES:CN(C)c1ccc(/C=C/C=C/C=C2C(=O)OC(C)(C)OC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCNWRRMGOKWBV-KQQUZDAGSA-N", "SMILES:CN(C)c1ccc(/C=C/C=C/C=C2C(=O)CC(C)(C)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2364601", "category": ["biolink:ChemicalEntity"], "name": "AFTOBETIN", "xref": ["InChIKey:NRZNTGUFHSJBTD-HKOYGPOVSA-N", "SMILES:COCCOCCOCCOC(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1"], "synonym": ["Aftobetin", "Aftobetine", "Aftobetina", "Aftobetin", "11", "ANCA-11", "ANCA11", "Compound 11", "Aftobetin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGTAZLSEZRTJEO-HAVVHWLPSA-N", "SMILES:COCCOCCOCCOC(=O)/C(C#N)=C/c1ccc2cc(N3CCOCC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCGTMUWVWWXNJ-HKOYGPOVSA-N", "SMILES:COCCOCCOCCOC(=O)/C(C#N)=C/c1ccc2cc(N3CCN(C)CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKEDBKRKICTQNA-ZZXKWVIFSA-N", "SMILES:CN(C)c1ncc(/C=C/c2nc3cc(OCCF)ccc3[se]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTCGGXYCURDHC-CSQNWSIHSA-N", "SMILES:CCN1/C(=C/C=C2\\CCCC(/C=C(/C#N)C(=O)C(C)(C)C)=C2Cl)C(C)(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUICGFIMDGFKFH-FDCSDAKWSA-N", "SMILES:COC(=O)/C(C#N)=C/C=C/C=C/c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAAOEKKXMBNJTE-KQQUZDAGSA-N", "SMILES:COC(=O)C(=C/C=C/C=C/c1ccc(N(C)C)cc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXIQKORNCWQJH-KQQUZDAGSA-N", "SMILES:CN1C(=O)C(=C/C=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVMYJVGEUOSIIR-ZUVMSYQZSA-N", "SMILES:CN(CCO)c1ccc2cc(/C=C/C=C/C=C(C#N)C#N)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYULKRDSAGUMRU-KVIFQJCKSA-N", "SMILES:CC[C@H]1C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5175772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGVUMBTEYCYRW-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c(c1)-c1c(-c3ccc(O)cc3)c(=O)oc3c1c-2c(O)c1cccc(O)c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPBRDVGHXDRHON-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c(c1)-c1c(-c3c[nH]c4ccccc34)c(=O)oc3c1c-2c(O)c1cccc(O)c13"]}
{"name": "Protease LasA", "xref": ["CHEMBL.TARGET:CHEMBL5169224"], "id": "UniProtKB:P14789", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465360", "category": ["biolink:ChemicalEntity"], "name": "ISOVITEXIN", "xref": ["InChIKey:MYXNWGACZJSMBT-VJXVFPJBSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5179604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZROGCCBNZBKLEL-GROANERISA-N", "SMILES:C[C@H]1O[C@@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"name": "Sortase A", "synonym": ["Sortase"], "xref": ["CHEMBL.TARGET:CHEMBL4523939"], "id": "UniProtKB:Q8CM62", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1309"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGUCUVFOIWWQJ-UBTQYQGQSA-N", "SMILES:C[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5186372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITHQYDRZAVJHB-LDRDMMFQSA-N", "SMILES:CC[C@H](CCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL603717", "category": ["biolink:ChemicalEntity"], "name": "RAFFINOSE", "xref": ["InChIKey:MUPFEKGTMRGPLJ-ZQSKZDJDSA-N", "SMILES:OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"name": "Lectin A", "xref": ["CHEMBL.TARGET:CHEMBL5169234"], "id": "UniProtKB:Q7N561", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:243265"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067641", "category": ["biolink:ChemicalEntity"], "name": "GALACTOSE", "xref": ["InChIKey:GZCGUPFRVQAUEE-KCDKBNATSA-N", "SMILES:O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO"], "synonym": ["Galactose", "D-galactose", "D-galactose", "Galactose", "Galactose"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5181737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJLSHOYHCYZMG-PPCFQUJOSA-N", "SMILES:O=C(O)/C=C(\\C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGAVRUPUSWDSSV-UVLCOCDESA-N", "SMILES:O=C(Cn1cc(CO)nn1)Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTPJJZURVZIAID-CWVYHPPDSA-N", "SMILES:OC[C@H]1O[C@@H](Sc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHMJIYXPCFZDY-GECSAQOPSA-N", "SMILES:OC[C@H]1O[C@@H](OCc2cn([C@H]3[C@H](O)[C@@H](O)[C@H](n4cc(-c5ccc(-c6cn([C@@H]7O[C@H](CO)[C@@H](n8cc(CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)nn8)[C@H](O)[C@H]7O)nn6)cc5)nn4)O[C@@H]3CO)nn2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUGUQSYCLGIJI-LDLUGTALSA-N", "SMILES:COc1ccc(/C=N/NC(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDHJXYKPYVJIX-WJTALUEHSA-N", "SMILES:O=C(N/N=C/c1ccc(Oc2ccc(/C=N/NC(=O)c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)cc2)cc1)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEZJDVYDSZTRFS-YBXAARCKSA-N", "SMILES:OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGULDTQQEDQGRU-OPJDULIESA-N", "SMILES:O[C@H]1[C@@H](O)[C@@H](C2CO2)O[C@@H](Oc2ccccc2)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVVTXUTPMAVGI-BKWQARTDSA-N", "SMILES:OC[C@H]1O[C@@H](OCCCc2cn(CCn3cc([C@@H]4O[C@H](CO)[C@@H](n5cc([C@@H]6O[C@H](CO)[C@@H](n7cc(CCCO[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)nn7)[C@H](O)[C@H]6O)nn5)[C@H](O)[C@H]4O)nn3)nn2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDJVODUXIZSKO-LYPAKNIXSA-N", "SMILES:OC[C@H]1O[C@@H](OCc2cn([C@H]3[C@H](O)[C@@H](O)[C@H](c4cn([C@H]5[C@H](O)[C@@H](O)[C@H](n6cc([C@@H]7O[C@H](CO)[C@@H](n8cc(CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)nn8)[C@H](O)[C@H]7O)nn6)O[C@@H]5CO)nn4)O[C@@H]3CO)nn2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHFOPICMJLPBDI-DAGKTCNCSA-N", "SMILES:CO[C@H]1O[C@H](CNC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3590172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGBPVTVQRZPOK-NJURLYQPSA-N", "SMILES:CO[C@H]1O[C@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOXNRHEAAYSSF-UJMIPNDGSA-N", "SMILES:COc1ccc(/C=C/C(=O)NC[C@H]2O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUWMDLRKEQUSPZ-CQOGJGKDSA-N", "SMILES:C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLORPYFUUWZNP-NPLZYVICSA-N", "SMILES:C[C@@H]1O[C@H](CNC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QROABCURGVOZGA-ZTSYIJMHSA-N", "SMILES:COc1ccc(/C=C/C(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSQKCWABXTTJT-NJVJYBDUSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTSDWMJWKJCAA-JGLNRKDHSA-N", "SMILES:CNC(=O)c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBYJBZXTMNPQY-FNIAAEIWSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC)cc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LECOXVSYFKTZFV-AGRFSFNASA-N", "SMILES:CNC(=O)c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPNXCPWXQQMNFG-WCZGSDDISA-N", "SMILES:CNC(=O)c1cc(C(=O)NC)cc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZDHHZMMBYAYEG-JGLNRKDHSA-N", "SMILES:CNC(=O)c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULLSFLLJXVBTBT-FNIAAEIWSA-N", "SMILES:CNC(=O)c1cc(C(=O)NC)cc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDNBFQISXGJBB-AGRFSFNASA-N", "SMILES:O=c1[nH]ccc2ccc(-c3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLOJDODAQVYDNX-KOVVAJLHSA-N", "SMILES:Cc1cc(-c2ccc3cc[nH]c(=O)c3c2)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKICYSMWLVXKN-RYIFMDQWSA-N", "SMILES:Cc1cc(-c2ccc3ccn(C(=O)Nc4cccnc4)c(=O)c3c2)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQSOYBEPVGKFY-BDCZXCATSA-N", "SMILES:Cc1cc(-c2ccc3ccn(CC(=O)Nc4cccnc4)c(=O)c3c2)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFYVXKJBWUVUCP-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1cccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C(F)(F)F)c43)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPBFNRFRJLBCIQ-ZETCQYMHSA-N", "SMILES:C[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQKZNNGOSPTCG-ZBEGNZNMSA-N", "SMILES:C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNXSUBYHKSATAO-HZMBPMFUSA-N", "SMILES:Cc1c(N2CC[C@](C)(O)[C@@H]2C)ccc(C#N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUEODVPKPRQETQ-UHFFFAOYSA-N", "SMILES:Cc1c(N2C3CCC2CC(C)(O)C3)ccc(C#N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALFKWQLCWAXJO-RNSKTZJQSA-N", "SMILES:Cc1c(/N=C2\\O[C@@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZJEPYCJHLWQR-TUKIKUTGSA-N", "SMILES:CO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC[C@H](O)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMJQRRLCJXPOK-QWHCGFSZSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc(C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOANLOTNWGJSK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccccc2O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARJGHPDXAXFKDW-SMDDNHRTSA-N", "SMILES:N#Cc1ccc(O[C@@H]2CCCC[C@H]2C#N)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLQETBWRAYXMF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVUYXVVBNOJLA-SFHVURJKSA-N", "SMILES:CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHTVWMURIXVGY-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)N(C)c1ccc(C#N)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENRRRXHFQYXDW-DGCLKSJQSA-N", "SMILES:N#Cc1ccc([C@H]2CCCC[C@H]2O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNDBEERQWNGTKH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Sc1ccc(C#N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDLKGOROWUPNJC-BTJCDENPSA-N", "SMILES:CN1C(=O)C(F)=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)/C(=C/c5cncnc5)C[C@H]4[C@@H]3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFBFCDLZAKZWOX-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3cc(O)ccc31)CCc1ncccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSUXNERJJMTAQJ-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)CCCC2c3cc(Cl)c(Cl)cc3NC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYQHMZXSLJFLB-RCDICMHDSA-N", "SMILES:Cc1c(N[C@@H](c2ccc(-c3ccc(C#N)cc3)o2)[C@H](C)O)ccc(C#N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXFSVKGROITHRY-GXTWGEPZSA-N", "SMILES:Cc1c(N[C@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRZFRLQNHKDCY-ZOWXZIJZSA-N", "SMILES:CC(C)(CO)[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNYAUBNZRZVNLX-KBPBESRZSA-N", "SMILES:CN(C)[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5209205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCGHQZCKDIQDC-FQEVSTJZSA-N", "SMILES:C[C@](O)(CCOc1ccc(F)cc1)C(=O)N1CCc2c(C#N)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHMFVPOVQMEIHB-CORIIIEPSA-N", "SMILES:CC[C@H]1[C@@H]2[C@@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL246006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGYBVFWQUATCG-UHFFFAOYSA-N", "SMILES:N#CCC(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIHXMZSDDJEHM-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1CCCS(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTAFLVWAAKRDT-UHFFFAOYSA-N", "SMILES:CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCHUMQEYZWODS-UHFFFAOYSA-N", "SMILES:CC(O)(C[S+]([O-])c1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL124881", "category": ["biolink:ChemicalEntity"], "name": "(S)-BICALUTAMIDE", "xref": ["InChIKey:LKJPYSCBVHEWIU-QGZVFWFLSA-N", "SMILES:C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVHMQXDGTUBFP-PWSUYJOCSA-N", "SMILES:Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBCJWHRIRXQFTH-RIEVBORMSA-N", "SMILES:CCCCc1ccc(OC(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])c5ccccc45)C(=O)N32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL362566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXSVQMWAXGFRT-JCGIZDLHSA-N", "SMILES:N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](CN4C(=O)Oc4ccc(F)cc4)N3C2=O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNKJFYQVAIRFI-BBAXIROVSA-N", "SMILES:C[C@@]12O[C@@](C)(C[C@H]1O)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDZSAEWHMMVCMW-WOUAJJJCSA-N", "SMILES:CC(C)N1C[C@@]2(C)O[C@](C)(C1)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGVUHSKYFFPBH-JFACMUCHSA-N", "SMILES:CNC(=O)[C@]12C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]1[C@H]1C[C@H](F)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYNANJUKEMCYEQ-HIGHGGLBSA-N", "SMILES:CCS(=O)(=O)N[C@@H]1C[C@@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPDDOUUFBOTOI-KRWDZBQOSA-N", "SMILES:N#Cc1ccc(N2C(=O)N[C@@](CO)(c3ccccc3)C2=O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMIJXKCBFMBER-KRWDZBQOSA-N", "SMILES:C[C@@]1(c2ccc(O)cc2)NC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZKSWZIVJNOUGU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(O)cc2F)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCJCOHUOJPPBI-UHFFFAOYSA-N", "SMILES:CCCN(CC(F)(F)F)c1cc(Br)c(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1946811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUZDOKGVYDKRFQ-AWEZNQCLSA-N", "SMILES:CC1(C)CN(CCC#N)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSWCJYNBPJKERW-AWEZNQCLSA-N", "SMILES:CC1(C)CN(CCC#N)C(=O)[C@@H]1Oc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNLGHCNSWROZDU-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1-c1cnc(Cl)c(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMASABXCFFRHW-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccc(C(=O)NCC(C)(C)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCUHRUDZAOKECU-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Oc1ccc(C(=O)NC(C)(C)C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZRUBPUOTYXWMT-BUXKBTBVSA-N", "SMILES:CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(Cl)c3)[C@H]2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOXBSUGDNAEGP-YPMHNXCESA-N", "SMILES:N#Cc1ccc(C2=NO[C@H]3CCCC[C@@H]23)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTZSNQXSDYHCRV-QWHCGFSZSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFHSVOTUGCGOQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRNNJVNMXOZEQC-UHFFFAOYSA-N", "SMILES:c1ccc(-c2csc(N3CCOCC3)n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3323483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFGZKYLWGZFFS-UHFFFAOYSA-N", "SMILES:Brc1ncn(-c2csc(N3CCOCC3)n2)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRMZYSEZBCBEC-RTBURBONSA-N", "SMILES:Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297675", "category": ["biolink:ChemicalEntity"], "name": "RALANITEN ACETATE", "xref": ["InChIKey:HGHVYYKTOXUQNT-CLJLJLNGSA-N", "SMILES:CC(=O)OC[C@H](COc1ccc(C(C)(C)c2ccc(OC[C@@H](CCl)OC(C)=O)cc2)cc1)OC(C)=O"], "synonym": ["Epi-506", "Ralaniten acetate", "Ralaniten acetate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZNKAJSQAZCFDF-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1OC(C)C)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMUFJTOKGJIRSK-UHFFFAOYSA-N", "SMILES:CC(C)C(NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHCWVQKBPNOHM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3ccc(Cl)c(Cl)c3)nc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYCVTGYOUGRSO-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCC(=O)NCCOCCOC(=O)CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLYHFJLXGPKGR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(C)C(=O)c2nc(-c3ccccc3Cl)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLASWLQCMKZAT-UHFFFAOYSA-N", "SMILES:CN(C)CCc1nnc2cc(-c3ccccc3)c3cc(Cl)ccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295830", "category": ["biolink:ChemicalEntity"], "name": "CYCLOLEUCINE", "xref": ["InChIKey:NILQLFBWTXNUOE-UHFFFAOYSA-N", "SMILES:NC1(C(=O)O)CCCC1"], "chembl_natural_product": true}
{"name": "S-adenosylmethionine synthase isoform type-1", "xref": ["CHEMBL.TARGET:CHEMBL5169142"], "id": "UniProtKB:Q00266", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCGNFRZXSKJPS-UHFFFAOYSA-N", "SMILES:CCNc1ccc2nn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZBGYURRYVMFH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(=O)n(-c3ccc4ncsc4c3)nc3ccc(OCC(F)F)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFPQFGPFWWUPQ-UHFFFAOYSA-N", "SMILES:CCNc1ccc2nn(-c3ccc4nc(C)n(C)c4c3)c(=O)c(-c3ccc(C(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXMVUQIXWYZNQ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3ccc(NCC(F)(F)F)nc3N(c3ccc(-c4ncn[nH]4)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJCKNJUWZRWSTP-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3cnc(NCC(F)(F)F)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDFDZOLTQQOMOH-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3cnc(OCC(F)F)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMZVSXXQNKSCRU-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(C3=CC4N=C(CCN5CCC(O)C5)N(C)C4C=C3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZYORRGEIBTHU-UHFFFAOYSA-N", "SMILES:Cn1cnc2ccc(-c3cc4cnc(NCC(F)(F)F)nc4n(-c4ccc(OC(F)F)cc4)c3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMMRCJGCUYDFOL-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc(OC)cc3C)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOAANOOOWBAPIM-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4ncn(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEFNKPMWIKSEHD-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cccn4)c3)n2C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRAUOOOVMNCNV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4ccccc4=O)c3)n2C)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZDOJFUMUDUMPX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8659", "category": ["biolink:ChemicalEntity"], "name": "OLEIC ACID", "xref": ["InChIKey:ZQPPMHVWECSIRJ-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)O"], "synonym": ["Oleic acid", "9-octadecenoic acid, (z)-", "9z-octadecenoic acid", "Oleate", "Oleic acid", "Osteum", "Priolene 6936", "Vopcolene 27", "Wecoline oo", "18:1(N-9)", "FEMA NO. 2815", "NSC-9856", "Oleic acid component of endocine", "Oleic acid"], "chembl_natural_product": true}
{"name": "Nuclear receptor subfamily 4 group A member 2", "xref": ["CHEMBL.TARGET:CHEMBL3879839"], "id": "UniProtKB:Q06219", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Nuclear receptor subfamily 4 group A member 2", "xref": ["CHEMBL.TARGET:CHEMBL4523278"], "id": "UniProtKB:Q07917", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL555013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTGFBZJLDLWQG-UHFFFAOYSA-N", "SMILES:Clc1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVIPMRWCFOHBG-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJBQVSPSMKSMY-LNJQULHASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(C(=O)O)c1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINIWVRIYBSIJI-CCMSRGMGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNVKCWYFHKYCK-YKXYCFIWSA-N", "SMILES:CCCCC(CC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQDYMHHPZSOVKG-OQSIPPEMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(C)(C(=O)O)c1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGBJZRGGAURSZ-WLYOZFRJSA-N", "SMILES:CC(=O)SC(CC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPLHZDTZCQEORG-FQEVSTJZSA-N", "SMILES:O=C(O)CCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWIQVUWUPJBNO-DQEYMECFSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=S)NCCC(=O)O)C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWUYUIIQAPSDU-SVBPBHIXSA-N", "SMILES:CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPUTISOSMLNPW-SVBPBHIXSA-N", "SMILES:O=C(NC1CCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=S)NCCc1nnn[nH]1)NS(=O)(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGHUTRIUIYOPNT-NSOVKSMOSA-N", "SMILES:CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=S)CCCC(=O)O)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXODWQPYCGCPY-SVBPBHIXSA-N", "SMILES:O=C(NC1CCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=S)NCCc1noc(=O)[nH]1)NS(=O)(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXBJZKPPDQVWMC-SVBPBHIXSA-N", "SMILES:O=C(NC1CCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=S)NCCc1noc(=S)[nH]1)NS(=O)(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTDYXZXIAITGX-VMPREFPWSA-N", "SMILES:O=C(NC1CCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=S)NCCc1cc(O)on1)NS(=O)(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXEYBSPTUFFVNQ-LHWGYSBPSA-N", "SMILES:CC(C)C(OC(=O)C(C)(C)C)n1nnnc1CCCNC(=S)NCCCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTORWNWKELZKSC-LDADJPATSA-N", "SMILES:Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPHTUDKLPIZIG-LDADJPATSA-N", "SMILES:Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXHWDNGXJNOOV-LDADJPATSA-N", "SMILES:Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDEIECVRXWSBDL-NTEUORMPSA-N", "SMILES:N#C/C(=C\\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKUIFYOZECGECY-CXUHLZMHSA-N", "SMILES:N#C/C(=C\\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWFPNBFBCPCHJW-LDADJPATSA-N", "SMILES:Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGLQCBTBVACQT-UIOOFZCWSA-N", "SMILES:O=C(NC1CCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=S)NCc1nnn[nH]1)NS(=O)(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJUIMNSDMYDDW-AFROCPABSA-N", "SMILES:CC(=O)N[C@H]1CCCCNC(=O)CCCCCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LISZMMMZXQCFIY-FKBYEOEOSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCIQWYMPJOCCTF-UFYCRDLUSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CCCCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPVZTDPTTFCXQQ-BZSNNMDCSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYQWKYLFPZSRX-WMEOFMBSSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCYHYVNYRUUOL-NSOVKSMOSA-N", "SMILES:O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKUAKLZOIABHJ-UHFFFAOYSA-N", "SMILES:NNC(=O)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRMBRQWBOICYRP-UHFFFAOYSA-N", "SMILES:NNC(=O)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1383671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYEQKMAVRYRMBL-UHFFFAOYSA-N", "SMILES:Nc1cnccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWWSWJQMFNZDV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccncc1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYRLXUTLYBVHH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSMABFRQESMONQ-SFHVURJKSA-N", "SMILES:CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSWDRAGEBOUER-UHFFFAOYSA-N", "SMILES:CNc1cnccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSPSQDURYMIDD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(-c2ccc[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXKVATSZRALAIN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(-c2cc(NC(=O)c3ccc(O)cc3)ccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1398529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDBVSOZTVKXUES-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYKBXXGHEMXSBB-UHFFFAOYSA-N", "SMILES:O=C(NCCCc1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1601133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZYAPZLINAHET-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5169996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVXKCSZMLMPBW-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nc(-c2ccccc2O)n(-c2ccccc2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5178246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUCUUVFSUCLCC-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPUZCLYIUAGHQX-ZAFBDEJNSA-N", "SMILES:CC(C)(C)OC(=O)C[C@@H]1CCN(C(c2ccc(-c3ccncc3)cc2)c2cc3c(cc2O)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGWRXWLVTSXYQR-UHFFFAOYSA-M", "SMILES:CN(C)c1ccc(/C=C/c2cc[n+](Cc3ccc(F)cc3)cc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNFRPGQBKCOMN-UHFFFAOYSA-M", "SMILES:CCCCCC[n+]1ccccc1C=Cc1ccc(N(C)C)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKGOBFPQRRZPLE-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2N=C(C(=O)c3ccccc3)SC23SCC(=O)N3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCNXCIMCIREETH-VURCRSAKSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCn1cc(C(=O)O)nn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKVPMRFUZKTEA-FPTHCTBMSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHQSNHGGSKSHQ-DEBXOOHRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNFUCJMHJYHIN-QCEMKRCNSA-N", "SMILES:CN(C)C[C@H]1[C@H]2CC[C@](c3ccccc3)(C2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4302131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPUKLBDTNMMBMC-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[N+](C)(C)C)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFMVADNCOGWME-UHFFFAOYSA-N", "SMILES:CCN(CCN(C)C)C(=O)CNCc1cc(C(N)=O)ccn1"]}
{"name": "Lysine-specific demethylase 5D", "xref": ["CHEMBL.TARGET:CHEMBL5169191"], "id": "UniProtKB:Q9BY66", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRIWJFVDBQRHIK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccnc(N3CCC(O)CC3)n2)cc1NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSSUNCVMLHLMAZ-DZGCQCFKSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccnc(N3CC[C@@H](O)[C@@H](F)C3)n2)cc1NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJKNRVJKHOCCCG-DLBZAZTESA-N", "SMILES:CNc1ncc(C(C)C)c2cc(Nc3ccnc(N4CC[C@@H](O)[C@@H](F)C4)n3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHTSOOOZJCGDLW-VGSWGCGISA-N", "SMILES:CNc1ncc(C(C)C)c2cc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCVDBJNKZKCFPQ-DVECYGJZSA-N", "SMILES:CC(C)c1cnc(N2CCC2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEQIDIGIGWGLR-YNSGVOSJSA-N", "SMILES:CC(C)c1cnc(N2CC[C@H]2C)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEQIDIGIGWGLR-ZCPGDWHISA-N", "SMILES:CC(C)c1cnc(N2CC[C@@H]2C)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDHOLSNSRKAHB-RGNVDHMSSA-N", "SMILES:CC(C)c1nnc(N2CC[C@H]2C)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHSHWNISJKUHSM-YNSGVOSJSA-N", "SMILES:CC(C)c1ncc(N2CC[C@H]2C)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREDDTPLOBGIFI-DVECYGJZSA-N", "SMILES:CC(C)c1cnc(N2CC(O)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJOROGDGEGQERG-YSHIBNCASA-N", "SMILES:CC(C)c1cnc(N2C[C@H](O)[C@H]2C)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZFYULSUWJNSF-YSHIBNCASA-N", "SMILES:CC(C)c1ncc(N2C[C@H](O)[C@H]2C)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTXXLCLNJBCPL-DDKZFYNRSA-N", "SMILES:CC(C)c1ccc(N2C[C@H](O)[C@H]2C)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHDUFXIMWSSFT-NLFFAJNJSA-N", "SMILES:COC1CN(c2ncc(C(C)C)c3cc(Nc4ccnc(N5CC[C@@H](O)[C@@](C)(F)C5)n4)ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJAYAQWPSVFJF-RLWLMLJZSA-N", "SMILES:COCC1CN(c2ncc(C(C)C)c3cc(Nc4ccnc(N5CC[C@@H](O)[C@@](C)(F)C5)n4)ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URIYZCBXTNEXJL-IBVKSMDESA-N", "SMILES:CNC(=O)C1CN(c2ncc(C(C)C)c3cc(Nc4ccnc(N5CC[C@@H](O)[C@@](C)(F)C5)n4)ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEALQIKOQDNNI-ZBLYBZFDSA-N", "SMILES:CC(C)c1cnc(N2CC(C(=O)N(C)C)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBRHRZPPQDIMOA-RLWLMLJZSA-N", "SMILES:CC(C)c1cnc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBTXTRWBTMBPLO-INNPVCQVSA-N", "SMILES:CC(C)c1cnc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFHIIRYLQNMSCR-KCWPFWIISA-N", "SMILES:CC(C)c1ccc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTRKEAYXURHJJ-FHHPKGJMSA-N", "SMILES:CC(C)c1ccc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEYPTUROGFRRAO-OSHKRJKKSA-N", "SMILES:CC[C@]1(F)CN(c2nccc(Nc3cc4c(C(C)C)ccc(N5C[C@H](CS(C)(=O)=O)[C@H]5C)c4cn3)n2)CC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDURQNGJJQWXCB-ADDBBOADSA-N", "SMILES:CC(C)c1ccc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(N4CC[C@@](C)(O)[C@@H](F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095169", "category": ["biolink:ChemicalEntity"], "name": "TIGOZERTINIB", "xref": ["InChIKey:LIMFPAAAIVQRRD-BCGVJQADSA-N", "SMILES:CO[C@@H]1CCN(c2nccc(Nc3cc4c(C(C)C)ccc(N5C[C@H](CS(C)(=O)=O)[C@H]5C)c4cn3)n2)C[C@@H]1F"], "synonym": ["Tigozertinib", "Tigozertinib", "Tigozertinib", "Blu-945", "Tigozertinib", "BLU-945", "BLU945", "EO2401", "Tigozertinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXCAPCKBQKXXCL-JJMBJGOUSA-N", "SMILES:CO[C@@H]1[C@H](O)CN(c2nccc(Nc3cc4c(C(C)C)ccc(N5C[C@H](CS(C)(=O)=O)[C@H]5C)c4cn3)n2)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLNCRKEDUWBJS-NLFFAJNJSA-N", "SMILES:CC(C)c1cnc(N2CCCC2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOHNZGASXYBKDI-NLFFAJNJSA-N", "SMILES:CC(C)c1cnc(N2CC(C#N)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAPLUNCFNGEPL-ZLOXQWCVSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nnn(C)n5)c(C)nc4N3)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAPLUNCFNGEPL-JCQPUDPBSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@]3(CCc4cc(-c5nnn(C)n5)c(C)nc4N3)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYRXEAVMQZSPK-ZLOXQWCVSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nnn(C)n5)c(C)nc4N3)C2)nc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYRXEAVMQZSPK-NPMABZOXSA-N", "SMILES:COc1cc([C@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nnn(C)n5)c(C)nc4N3)C2)nc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPKUZQXLQKEKKU-MQNRADLISA-N", "SMILES:Cc1nc2c(cc1-c1ncccn1)CC[C@@]1(CCN(C(=O)[C@@H](C)c3ccc(OC(F)F)nc3)C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PARGFYLSRQUWHR-BZQUYTCOSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFRNFYONJRGRW-BZQUYTCOSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTUMDUYTOPWBW-RZNFBWOTSA-N", "SMILES:Cc1nc2c(cc1-c1ncccn1)CC[C@@]1(CCN(C(=O)C(C)c3ccc(Cl)cc3Cl)C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJKQCLMJRNCNE-CCKNNCGLSA-N", "SMILES:Cc1nc2c(cc1-c1ncccn1)CC[C@@]1(CCN(C(=O)C(C)c3cc(OC(F)F)ncc3Cl)C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPLWSGGNMOIHSS-CRYYWNKWSA-N", "SMILES:COc1cc(OC)cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5cnn(C)c5)c(C)nc4N3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQAPHLJHDKXIMR-RZNFBWOTSA-N", "SMILES:Cc1nc2c(cc1-c1cnn(C)c1)CC[C@@]1(CCN(C(=O)C(C)c3ccc(OC(F)F)nc3)C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLNRTRWAOOWGU-JWIGPWBQSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc6ccccn6n5)c(C)nc4N3)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZUGUSUFWZXCJ-SHZVTRLKSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc(C(F)F)n(C)n5)c(C)nc4N3)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDFRGIBBFMHRS-OLKYXYMISA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(O[C@@H]5CO[C@H]6[C@@H]5OC[C@@H]6O)n4)cc3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDFRGIBBFMHRS-MOUTVQLLSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(O[C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O)n4)cc3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSEVUFDNBHHQMG-UDCKCYQBSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)n2)ccc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUFMEHAQXLWBMX-MUIFIZLQSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDROAFVYMEAJS-OQUNMALSSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)n2)ccc1N1CCC2(CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEIRLJCOUCXJB-OLQDDANTSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)n2)ccc1N1C[C@H]2C[C@@H]1CN2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXJZKDHDEKITDX-WRRICFGBSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)n2)ccc1N1C[C@@H]2C[C@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFXLLZDACGNOA-VURPSTOHSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)n2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPCVIFVPSGHXET-LUGTWXOSSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)n2)ccc1N1CCC(N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFDDLITXPIGMJ-OHUMZHCVSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)n2)ccc1N1CCN(CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUKPMIIZNGISMX-JETMSAPDSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)n2)ccc1N1CCC(N(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGIZGLPYTTWZCW-UGESXGAOSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDFRGIBBFMHRS-UEQSERJNSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(O[C@H]5CO[C@H]6[C@@H]5OC[C@H]6O)n4)cc3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXJXRACSRJBKS-OHUMZHCVSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMBYRFUERXNWPD-LUGTWXOSSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OCC)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJLVRCEERISBL-WMMXXEOUSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(C)C)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVHNRJGOWAWHX-ZHODDXKCSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@@H]4F)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVHNRJGOWAWHX-JCXROGDPSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4F)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXDDTUVDXDRFAO-NRSPTQNISA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OCC4(F)F)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGEXLYVTDJOXRE-OQUNMALSSA-N", "SMILES:C#CCCN(C)CCN(C)c1ccc(Nc2ncc(Cl)c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC)n2)cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BETDGMHNHGHORO-MRXNPFEDSA-N", "SMILES:Cn1nncc1-c1cnn([C@H](CCOC(F)F)c2ccc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZDKUHZJPGPZIX-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc(-c2cnc(C(CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRJWNRPDBZGIOP-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc(-c2cnn(C(CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEZIPJPABXSKCS-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc(-c2cnn(C(CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEZIPJPABXSKCS-VWLOTQADSA-N", "SMILES:COC(=O)Nc1ccc(-c2cnn([C@@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEZIPJPABXSKCS-RUZDIDTESA-N", "SMILES:COC(=O)Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGWUJLNQWXJMJR-UHFFFAOYSA-N", "SMILES:Cc1nc(N)ccc1-c1cnn(C(CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLULMRFSPWMPT-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnn(C(CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZXBCQTDGQCBH-UHFFFAOYSA-N", "SMILES:[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1C(CC1CC1)n1cc(-c2c(F)cncc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDBRBOWRYPFBIN-UHFFFAOYSA-N", "SMILES:[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1C(CC1CC1)n1cc(-c2cncs2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVFYRSDTZFJORD-UHFFFAOYSA-N", "SMILES:Cc1ncsc1-c1cnn(C(CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOBSIYHBZREAR-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cnn(C(CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQYPMNRUPQZQQR-OAQYLSRUSA-N", "SMILES:Cn1cncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEPSOPOFJCIMBO-HXUWFJFHSA-N", "SMILES:Cn1nncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPWVZPJRCXDJRH-HSZRJFAPSA-N", "SMILES:Cn1nncc1-c1cnn([C@H](Cc2ccc(F)cc2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSRNSKYACTYPW-QGZVFWFLSA-N", "SMILES:COCC[C@H](c1ccc(-c2c(-n3cnnn3)ccc(Cl)c2F)c[n+]1[O-])n1cc(-c2cnnn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOJZKVIQCGHBL-MRXNPFEDSA-N", "SMILES:Cn1nncc1-c1cnn([C@H](CCOC(F)F)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPGXEVSIVSVKO-HSZRJFAPSA-N", "SMILES:Cn1nncc1-c1cnn([C@H](Cc2ccc(F)cc2)c2ccc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STWDKGKUMOJUEH-QGZVFWFLSA-N", "SMILES:COCC[C@H](c1ccc(-c2c(-n3cc(Cl)nn3)ccc(Cl)c2F)c[n+]1[O-])n1cc(-c2cnnn2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXKMMESSJCOTLH-MRXNPFEDSA-N", "SMILES:Cn1nncc1-c1cnn([C@H](CCOC(F)F)c2ccc(-c3c(-n4cc(C(F)(F)F)nn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFVQDKCVSFYLCD-OAQYLSRUSA-N", "SMILES:Cn1nncc1-c1cnn([C@H](Cn2cc(F)cn2)c2ccc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAUFWQIZXCIBQZ-HXUWFJFHSA-N", "SMILES:Cn1nncc1-c1cnn([C@H](Cc2ccn(C(F)F)n2)c2ccc(-c3c(-n4cc(C(F)(F)F)nn4)ccc(Cl)c3F)c[n+]2[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNIWMQNLTZJPN-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(O)cc1)c1ccccc1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVISKWQKYCYAT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1ccccc1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHELWWLNKWASPL-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(O)cc1)c1ccccc1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYNQZRCXJKPMEE-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)NCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPHSZKZHWVGIJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)NCc2ccc(O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLGFESPNRWMHU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCc2ccc(O)cc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPEULULKSLSHFQ-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ncccc1C(=O)NCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOKXCFWUNPULH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(O)cc1)c1ccccc1Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXSLXGZJHNONI-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)NCc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZSKFPIJDRHBV-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)NCc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFCQCDDHOAFLSM-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)NCc1ccc(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFJMWOFBBOSCY-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)NCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMIOBWXOZRZMH-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)NCc1cccc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMHVXCCTVLZNH-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccccc1C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUVQSNGVGHZLSN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cccc(Cl)c2C)c(C(=O)NCc2ccc(O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADVKIJUDVHXOT-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccc(F)cc1C(=O)NCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZYDDEOSLGTSDZ-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1ccc(F)cc1C(=O)NCc1ccc(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2031936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXQIAHZLFTVJU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL530543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABOVRDBEJDIBMZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXRIZGKBXONEK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Br)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHJHIGMQGMXJK-HFRSVINSSA-N", "SMILES:COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C(ONC(=O)CCCCCCC(=O)Nc5ccccc5)C(C#N)=C(OCc5ccc(OC(=O)C(C)SCCCSC(C)C(=O)Oc6ccc7c(c6)OC6=C(/C=C/C8=[N+](CCCc9cn(CCOCCOCCNC(=O)CCCC[C@H]%10SC[C@H]%11NC(=O)N[C@H]%11%10)nn9)c9ccc%10ccccc%10c9C8(C)C)CCCC6=C7)cc5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDUQMRGLDFGEB-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAHBYZNEUEUEX-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CF)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGHJRUXMXGLXDX-NHKHRBQYSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](Cn2ccnn2)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBACYIOZLSYPCB-IARZGTGTSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CS(C)(=O)=O)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXURSEAOWXYYRV-ZLBDCPSSSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](OC(c2cc(Cl)cc(Cl)c2)C(C)(C)O)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJIBJGWKIOLKH-AWCRTANDSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@@H](CC(C)(C)O)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAZUKJBXOAPHS-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CN)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZDDUDHQGVLAJ-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CNC(=O)C(F)(F)F)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRNOXYWVULEEE-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cccc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVUBPLNOKTUSEP-CQYDQKQQSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1C(C)CC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAOLNJBEURGMD-ZURQMKNRSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CC[C@H](OC(CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDPQDQMPNUDEP-NXCFDTQHSA-N", "SMILES:O=C(O)c1ccc(CN2CCC[C@H](O[C@H](CO)c3cc(Cl)cc(Cl)c3)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHIMICVVOCQNM-NXCFDTQHSA-N", "SMILES:Nc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDAZSABTBDSQT-IARZGTGTSA-N", "SMILES:NCCc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMVYEYOZSRUNRV-VJGNERBWSA-N", "SMILES:COC(=O)Nc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYRQRERPCUCPOU-NXCFDTQHSA-N", "SMILES:Cc1nc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSOFDNCUHHHDAD-WEWMWRJBSA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC[C@H](O[C@H](CO)c4cc(Cl)cc(Cl)c4)[C@@H]3c3ccccc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCIJNAYQXKYIW-HFGZMBHNSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](OC(c2cc(Cl)cc(Cl)c2)C(C)O)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZSQCEFNMPKUFW-NHKHRBQYSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CN(C)C)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCDLCMBRTHUAIW-IARZGTGTSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CNS(C)(=O)=O)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTDCMTILTZTYAN-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNFSEODUAQYABZ-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXHHWDWGDGHYRC-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSKRGNSCBLHCK-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLMIRVJQVIHTAV-NXCFDTQHSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKORDAWMTLHVGK-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2ccccc2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQMEKOMCAVWTO-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMOPBJCIGVFALY-IARZGTGTSA-N", "SMILES:COc1cccc([C@@H](CO)O[C@H]2CCCN(Cc3ccc(C(=O)O)cc3C)[C@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMZCVDSNDHOCGO-VJGNERBWSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(F)cc(F)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDTHZKGBTHTWCM-GSLIJJQTSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2ccnc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZLTSAHYFRENL-ZEVJAHDQSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@H](O[C@H](CO)c2cc(Cl)nc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJUVDKGVMMSPNZ-AHWVRZQESA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1C(=O)CC[C@H](OCc2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQMWJTVNWVDSSB-IUAQSZDVSA-N", "SMILES:Cc1cc(C(=O)O)ccc1CN1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAIGHYFFSFGPY-IARZGTGTSA-N", "SMILES:COC(=O)c1ccc(CN2CCC[C@H](O[C@H](CO)c3cc(Cl)cc(Cl)c3)[C@@H]2c2ccccc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNIHLGMMTXLIKN-IARZGTGTSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(CN2CCC[C@H](O[C@H](CO)c3cc(Cl)cc(Cl)c3)[C@@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOQJTMWFIOFDZ-NHKHRBQYSA-N", "SMILES:O=C(O)c1ccc(CN2CCC[C@H](O[C@H](CO)c3cc(Cl)cc(Cl)c3)[C@@H]2c2ccccc2)c(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBVDAZWVTVADSO-WEWMWRJBSA-N", "SMILES:OC[C@@H](O[C@H]1CCCN(Cc2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHPKPYSXJZVMKV-CQYDQKQQSA-N", "SMILES:Cc1cc(C(=O)O)ccc1C(C)N1CCC[C@H](O[C@H](CO)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFMMTFQNSFHJT-LTFOVQEUSA-N", "SMILES:O=C(O)C12CC(CN3CCC[C@H](O[C@H](CO)c4cc(Cl)cc(Cl)c4)[C@@H]3c3ccccc3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPJIDTVHPDPQX-UHFFFAOYSA-N", "SMILES:Cc1cc(O)ccc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFFSYXUNFMLWAI-UHFFFAOYSA-N", "SMILES:Cc1c(O)cccc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZMDHRTURUZPDL-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBWZVVPCJMAFMN-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJUHDVNMFMXHT-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c(-n2c(N)c(C(N)=O)c3nc4ccccc4nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWZHVRVGKBHCEF-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)n(-c2cccc3[nH]ncc23)c2nc3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHVBSBGMXIFINH-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]ncc2c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNFPLSUBIEKQI-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(Cl)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTPGKBMQBCWBG-UHFFFAOYSA-N", "SMILES:Cc1c(O)ccc(Cl)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLCWIADKMKGBA-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)n(-c2c(Cl)ccc(O)c2Cl)c2nc3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHDXVZQTZHJWAW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(N)n(-c2cc(O)ccc2C)c2nc3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDDLRIMQHLRGU-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(N)n(-c2cc(O)ccc2C)c2nc3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQCTGYFWIXDAU-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1-n1c(N)c(C(=O)NCCO)c2nc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIHQVXMSNGWMZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1cc(C(N)=O)c2nc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACIJFONVNGZIMF-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(Cl)c(C(N)=O)c2nc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMFMOAKXYXMROJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLATZMUQLEESJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2cc3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQVALLCHUNTQGJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(Br)c3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCCADQSMGTNJK-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3ccc(Br)cc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWAHTTZGWQUAI-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(Br)ccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZBOZXNEKFYHQT-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(Br)cccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNOAFCBGYPJYHV-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(C#N)c3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIJZSUZISVPME-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(-c4ccnn4C)c3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYLSYSWIXYFDKL-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(C4=CCCC4)c3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDLLZJPLZASLJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(C#N)ccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFFXGYXWWYRCJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(-c4ccnn4C)ccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMXADXPRMLUMH-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(C4=CCCC4)ccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLSWHNAPCPOQD-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(C#N)cccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIDPMHNFZTOHO-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(-c4ccnn4C)cccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCSWWJXFFDHMR-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(C4=CCCC4)cccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYFWWOEHHCUJO-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C3CC3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRXKAWIPSNRQS-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(-c3ncc(F)cc3F)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFWZNDGAJNQKA-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(-c3nccs3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLIHXNMTGWVGE-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSYYFVSGWPACL-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWKYFSHDVCZRG-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZIXIMCOOKWYKX-UHFFFAOYSA-N", "SMILES:Cc1cnc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYJZCBTMCZRNS-UHFFFAOYSA-N", "SMILES:Cc1cnc2c(n1)c(C(N)=O)c(N)n2-c1c(C)ccc(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCDMISXSDBVBY-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C(C)(C)O)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKGXPIQMSCNIPK-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(N3CCOCC3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULDZGHWDQNMQNE-UHFFFAOYSA-N", "SMILES:Cc1cnc2c(c1)c(C(N)=O)c(N)n2-c1c(C)ccc(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILXVHUCIJXHLFY-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(C3CC3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEYFYHAQSNSXRD-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199076", "category": ["biolink:ChemicalEntity"], "name": "LUNRESERTIB", "xref": ["InChIKey:ARBRHWRTXPWZGN-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C"], "synonym": ["Lunresertib", "Lunresertib", "Lunresertib", "Lunresertib", "Rp 6306", "Rp-6306", "RP-6306", "RP6306", "Lunresertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBZWKPGPTCBYOS-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOc1ccc(NC(=O)c2ccc(CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C3CC3)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIWZYPNBTSXEET-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(NCC(=O)NCCCOc4ccc(NC(=O)c5ccc(CN(C(=O)c6ccc7c(c6)OCC(=O)N7)C6CC6)cc5)nc4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZGEDUWAQFVAV-UHFFFAOYSA-N", "SMILES:O=C1COc2cc(C(=O)N(Cc3ccc(C(=O)Nc4ccncn4)cc3)C3CC3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKZWIZBLUWIFIU-MNMFQCECSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)CO)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKMUNIWGEDHADR-MNMFQCECSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)C=O)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWUYBPPEGTWYTB-MOFBGKAJSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)[C@H](O)c4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFMMVTGKMIPXLM-GLYUIJDASA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)[C@H](O)c4ccc(C)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUMTDZQWZNRBJ-GLYUIJDASA-N", "SMILES:COc1ccc([C@@H](O)[C@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFPTZBVXRYZQD-GLYUIJDASA-N", "SMILES:COc1cccc([C@@H](O)[C@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTRWFSPCWSJST-MOFBGKAJSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)[C@H](O)c4ccc(C(F)(F)F)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOCFFXKMHZRIIW-QCHNSQRHSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)[C@H](O)c4ccc(C(C)C)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJASJVXDYNIOZ-MOFBGKAJSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)[C@H](O)c4ccc(Cl)c(Cl)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYLCDWZMBZEQT-PFQPMKHESA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)C(=O)c4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDBSGOACMICOL-DTKTUBKVSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)C(=O)c4ccc(C)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXAUUMMWQQIIR-DTKTUBKVSA-N", "SMILES:COc1ccc(C(=O)[C@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGJTVXIRNIAKP-DTKTUBKVSA-N", "SMILES:COc1cccc(C(=O)[C@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJMKGMFJEWMXQR-PFQPMKHESA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)C(=O)c4ccc(C(F)(F)F)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTMSNZQMZOKPH-OXLSSNPSSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)C(=O)c4ccc(C(C)C)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQELMVSXQAHBQJ-TURLPOKTSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)C(=O)c4cc(C)cc(C)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIGWVZJLXNMIJ-LEKWGUGTSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)C(=O)c4ccc6ccccc6c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGBAGBZGRFOKT-ZBNRJEFASA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)C(=O)c4ccc(-c6ccccc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"name": "Indolethylamine N-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2131"], "id": "UniProtKB:O95050", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URNMLEUXJIBQEI-JSHGGYKJSA-N", "SMILES:CCCCCCN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(C(N)=O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZMLACBMMNXOV-RCWIFLETSA-N", "SMILES:CCCCCCN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(C(N)=O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIGXDTIBFTWEBM-VUIPDPFBSA-N", "SMILES:CCCCCCN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)CSCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(C(N)=O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQWJBMIMMDZXQY-TUOIPTGWSA-N", "SMILES:CCCCCCN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWEIFFVJCUDAGX-WLOHKPCYSA-N", "SMILES:CCCCCCN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(C(N)=O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCTSFISGPVDOHQ-BKANQJANSA-N", "SMILES:CCCCCCN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(C(N)=O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGVGWAIXJGROB-JYFHCDHNSA-N", "SMILES:NCc1nccn1[C@H]1C[C@H](c2nc3ccccc3n2Cc2ccccc2)N(C(=O)c2cnc3[nH]ccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQWYPCUWSCNSW-RPLLCQBOSA-N", "SMILES:Cc1ccc2c(c1)nc([C@H]1C[C@H](n3ccnc3CN)CN1C(=O)c1cnc3[nH]ccc3c1)n2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRMSFVCDJOZKRF-LITSAYRRSA-N", "SMILES:Cc1ccc2c(c1)cc([C@H]1C[C@H](n3ccnc3CN)CN1C(=O)c1cnc3[nH]ccc3c1)n2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJMIMBZGIMDSPE-BHDXBOSCSA-N", "SMILES:Cc1ccc2c(c1)cc([C@H]1C[C@H](n3nc(C)cc3CN)CN1C(=O)c1cnc3[nH]c(C)cc3c1)n2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1736726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGGOMPYVCZGKII-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUKDSWMYLASNP-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNVVLEOEWMATCW-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSJZMQBSJLNCBR-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3cc(Cl)c(Cl)cc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFKVQBHVUHPPZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3cc(N)ccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABBSGFODBZCZGU-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(Sc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cncs3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGMWNRMJABUMDS-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3[nH]1)n2Cc1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOGIICTCSCBAE-HNNXBMFYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3cc(NC(=O)CC[C@H](N)C(=O)O)ccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNRNNBTDHTLSY-AWEZNQCLSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3cc(NC(=O)C[C@H](N)C(=O)O)ccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFWYNCLHHYDIR-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3[nH]1)n2Cc1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDPACDRPJONFF-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3ccccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRLVHYAVVYHJV-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3ccccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLUWCNQLKSIYKQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(C2CC2)c2nc(Cc3nc4ccccc4[nH]3)n(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRJSCQHFVZPKAE-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3ccccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAKSTNSJDXPOSE-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3cc(N4CCOCC4)ccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPOXIARAGAMSY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3ccc(N)cc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQQGCBNTUKQEBJ-INIZCTEOSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3cc(NC(=O)CC[C@H](N)C(=O)O)ccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSSNSHFUCPKNBY-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(C2CC2)c2nc(Cc3nc4cc(N5CCOCC5)ccc4[nH]3)n(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVASULWOVJHINL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2nc(Cc3nc4c(c(=O)[nH]c(=O)n4C4CC4)n3Cc3ccccc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLFAVWDNJHBPGF-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(C2CC2)c2nc(Cc3nc4ccc(F)cc4[nH]3)n(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUSLJPUNSKZHGO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2nc(Cc3nc4c(c(=O)[nH]c(=O)n4C4CC4)n3Cc3ccccc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSQYZANLRAXHZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(Cc3nc4c(c(=O)[nH]c(=O)n4C4CC4)n3Cc3ccccc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNHHLSZYXLYIJJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(C2CC2)c2nc(Cc3nc4ccc(O)cc4[nH]3)n(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCYRVIPPZIRSG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(C2CC2)c2nc(Cc3nc4ccc(OCCO)cc4[nH]3)n(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKITUBGXJSKLQY-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3cc4c(cc3[nH]1)OCO4)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYALZIDUQZQWAO-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(C2CC2)c2nc(Cc3nc4cc5c(cc4[nH]3)OCO5)n(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPLGNDECHMRIY-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3cc4c(cc3[nH]1)OCO4)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBRZMJWEEGYHOQ-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3cc(O)ccc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPISMKNBAXDQEB-UHFFFAOYSA-N", "SMILES:CCOc1ccc2[nH]c(Cc3nc4c(c(=O)[nH]c(=O)n4CC)n3Cc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHOPMDUASIFMQM-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3cc(N(C)C)c(F)cc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCAYBYDMBYIYAE-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1nc3cc(N4CCOCC4)c(F)cc3[nH]1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLWNJVDYOPZRMG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3[nH]1)n2Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFWMZFRRHKPQLS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3[nH]c(Cc4nc5c(c(=O)[nH]c(=O)n5C)n4Cc4ccccc4)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HURDGGGKSYBXNL-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSBCOEJEPFUKAF-UHFFFAOYSA-N", "SMILES:CCC(C)Nc1nccc(-c2cnc3sc(C)cn3c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYYYGBFSCAAIX-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2nc(NC(C)C)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLGFOQIJXOCBRW-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2nc(SC(C)C)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYICQAQSHOIWPK-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2nc(OC(C)C)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSJLGZGYOJINH-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2nc(OC3CCOC3)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVMFONOWNHDBJA-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2nc(OC3CC(F)(F)C3(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVJNMGRFHZVRL-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAMIYVRZXOGEQP-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3ccccc3F)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQISJHZSWESRI-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3ncccc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UABCSGOCEKOZQA-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3cnccc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMAWCVLMGQPNPF-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3ccncc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVVPWFXDUAXBN-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3cccnc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCDHBTYMAAFGN-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3ccc(C)nc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODWZXYLGKZIFN-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3cc(C)cnc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDJGCIOZDHXOR-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)ccnc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFTVPMDTTWOSI-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(Cl)ccnc3C)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABAKNPESMQWLN-QMMMGPOBSA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(Cl)ccnc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFIMKABUWVTOA-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)ccnc3C(F)F)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXRAROJUWYMHQM-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(Cl)ccnc3OC)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDITWEWAMZUDAY-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)ccnc3F)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGXLDIJPBNUBM-QMMMGPOBSA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cncc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HURVWBMKBFRRLF-QMMMGPOBSA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cnc(OC)c3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDDXTWTVIJUYBO-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cnc(OC)c3C#N)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUSGWASWNBFBGW-LBPRGKRZSA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)cnc(OC)c3C)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJYNLQXYLQBCRQ-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)cnc(OC)c3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZIDGFQLFUTSIF-NSHDSACASA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3cc(OC)ncc3C)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKQHICFTDECHM-VIFPVBQESA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3ccnc(OC)c3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGAXKMNKVIUWQA-JTQLQIEISA-N", "SMILES:CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)cc(OC)nc3Cl)cc2F)c1=O"]}
{"name": "Dihydroorotate dehydrogenase (quinone), mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2991"], "id": "UniProtKB:O35435", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Dihydroorotate dehydrogenase (quinone), mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2383"], "id": "UniProtKB:Q63707", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUVXTINZATZEB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cc(F)ccc2N2CCOCC2)cc1OCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQRPCMAJHVDPX-XVNBXDOJSA-N", "SMILES:COc1ccc(CNC(=O)c2cc(F)ccc2N2CCOCC2)cc1/C=C/C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DASFUHPVLAUFCK-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cc(C(=O)Nc3ccccc3N)ccc2N2CCOCC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDQNEMKKDKLCX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CCNC(C)=O)cn2C(=O)OCc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBRRWCZJGFFJC-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(COC(=O)n3cc(CCNC(C)=O)c4cc(OC)ccc43)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBUHUJNHILRCAK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CCNC(C)=O)cn2C(=O)OCc1cc(OC)c(OC)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJPOWRPZSWEQQN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CCNC(C)=O)cn2Cc1cc(OC)c(OC)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHDZFJQQXROKLC-UHFFFAOYSA-N", "SMILES:Nc1nnc2c([nH]c3ccccc32)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKXZFBBRPQIVHB-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDAWPVIWTVUTCC-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHRKRGDHMCCDEO-LLVKDONJSA-N", "SMILES:CC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZPFJROBBBOMNQ-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2nccc3c2[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYXVFOTRARSQS-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAPUNRGTJROBEI-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(-c2nccc3c2[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJDAUNCFNFQWMR-UHFFFAOYSA-N", "SMILES:Brc1cccc(-c2nccc3c2[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJFUWCMQHQBDOP-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVZVACBLLODTA-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2nccc3c2[nH]c2ccccc23)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYFLUMKFAHWAFW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2nccc3c2[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOZZGBIIZKNDHV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2nccc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJYCFNXVHJGQDO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2nccc3c2[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBRDPUNQWUSDBT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOMIHJWUVGIJN-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1c(-c3ccncc3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VINZHXJVOFAMRY-UHFFFAOYSA-N", "SMILES:c1csc(-c2nccc3c2[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTBKGSJEGKJBG-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1c(-c3c[nH]cn3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMMILKJVKSZFFG-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1c(-c3cnn[nH]3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOHXZRIXRLZSBI-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nccc3c2[nH]c2ccccc23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUVXGRKRJJWCN-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2nccc3c2[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDYGKKJOKWUJN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2nccc3c2[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKVBMCGMZWQHQ-UHFFFAOYSA-N", "SMILES:c1cncc(-c2nccc3c2[nH]c2ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGQXRBMHCBBNQ-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1c(-c3ccoc3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSHKOWTGJMCFA-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1c(-c3ccsc3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPWZZBPFRFZBX-HXUWFJFHSA-N", "SMILES:COC(=O)NCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3699637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHELVELDNLQVJI-HXUWFJFHSA-N", "SMILES:COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJEKYSDBNIJZII-LJQANCHMSA-N", "SMILES:COCCCn1nc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFDUZHSVPNCEPO-GOSISDBHSA-N", "SMILES:COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCFHBROWDHEFM-GOSISDBHSA-N", "SMILES:COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAWDDTXQRGJVFI-GOSISDBHSA-N", "SMILES:COC(=O)NCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCYVCWZTHVYHSH-LJQANCHMSA-N", "SMILES:COC(=O)NCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBKFMVACPRLCKD-GOSISDBHSA-N", "SMILES:COC(=O)NCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2c(C)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUGETCFXYSPQB-DNVCBOLYSA-N", "SMILES:COC(=O)NCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUGETCFXYSPQB-HNAYVOBHSA-N", "SMILES:COC(=O)NCCCn1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXZOTGJSKGMAP-RHSMWYFYSA-N", "SMILES:COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHNECZGRKOOCF-RHSMWYFYSA-N", "SMILES:COC(=O)NCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2nccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRTDDIZIUSADLD-MAUKXSAKSA-N", "SMILES:COC(=O)NCCCn1nc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSAUOOQLSGAVDH-YYZIUVEKSA-N", "SMILES:COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1"], "synonym": ["Ro-66-1132"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JICNFBRDDIQTTB-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc(Cl)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOLKWXDSAJQQF-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc(F)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGKZRGWHHGMVMX-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc(C(=O)OC)cc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZMSEOKECLMOH-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccc(Cl)c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRUJIZMMVVPGC-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMMMHVOGZENGO-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3Cl)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTEYVTBPHIBGAG-WYMJOSIYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3OC)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGDHYRLQOHUCE-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLHTUGRWLRRIHA-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)cc2Cl)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNYHERHTXJTGR-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)cc2F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYAQNCKMTYCMOB-SKBVVQJISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)cc2[N+](=O)[O-])[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTRIABPXFPWKK-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQKJNHXWGNEFA-WYMJOSIYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)cc2OC)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOYJKWRALBCSKJ-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)c(Cl)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNBQVADZSQKTID-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)c(C#N)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVHWBHRPLVBGIB-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)c(F)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPCNEOYKPFYWDR-SKBVVQJISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)c([N+](=O)[O-])c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHVLLFYTOTWBMK-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)c(C)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENUFZKWQXXAKU-WYMJOSIYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)c(OC)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQSVOBGYEMZGPT-KJYTXNCISA-N", "SMILES:CCOc1cc(CN[C@H]2CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]2NC(C)=O)ccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKZCVVOCVRKDS-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2c(F)cc(-c3ccccc3)cc2F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPISTRJMLWTBH-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2cc(F)c(-c3ccccc3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCASRNKVAUXRE-PPJWLVRDSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)c(F)c2F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLDPGLYNKPLMSH-WMTXJRDZSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccs3)cc2Cl)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKZCCKBDZWOPGI-BGWNEDDSSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccs3)cc2[N+](=O)[O-])[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PESDAOOWDYTRAU-WMTXJRDZSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccs3)cc2C(F)(F)F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNECDPRSSICWGT-JBRSBNLGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccs3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQWUSSTTYLLFR-QQKQFIJSSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccs3)cc2OC)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZILWINTBSFXNQ-BFLUCZKCSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2c(C)cc(-c3cccs3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVSIRMHVUHRRDQ-WMTXJRDZSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2c(F)cc(-c3cccs3)cc2F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOAMEXPISFPNAS-BFLUCZKCSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2cc(C)c(-c3cccs3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKBCHZKIYQXLR-JBRSBNLGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccs3)c(C#N)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIRLZAJNHVWTI-WMTXJRDZSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccs3)c(Cl)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBODECNZYYNPIT-RBZQAINGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccsc3)cc2Cl)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEAGQZNIGIPLEK-QPTUXGOLSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccsc3)cc2[N+](=O)[O-])[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVZYEDEVIMYPB-RBZQAINGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccsc3)cc2C(F)(F)F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AICZKAYPDOZHJO-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccsc3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIKVGXQUXGICDM-ICDZXHCJSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccsc3)cc2OC)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUSMEFOATAFQQR-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2c(C)cc(-c3ccsc3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYCGZJTVPJNNAA-RBZQAINGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2c(F)cc(-c3ccsc3)cc2F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXHJVTYRXKKLKV-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2cc(C)c(-c3ccsc3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETJLTQVOPDKSJ-QPTUXGOLSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccsc3)cc2O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSSHSTHDECURII-RBZQAINGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccsc3)cc2F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCPBCKJEDRRRN-WMTXJRDZSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccs3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNARTNMADDQGU-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1ccc(CNCC2(N3CCCC3)COC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOYWDOOHWPQCU-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3nc(N)sc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPAQZHNOIVKBNH-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(CNCC2(N3CCCC3)COC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEITYUGSTZMVQI-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]cc(CNCC3(N4CCCC4)COC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLMVCQYIAGOODR-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(CNCC3(N4CCCC4)COC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRPDAQDNPNJEY-UHFFFAOYSA-N", "SMILES:Fc1cccc2c(CNCC3(N4CCCC4)COC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFDTICXPFUHIZ-UHFFFAOYSA-N", "SMILES:Fc1cccc2[nH]cc(CNCC3(N4CCCC4)COC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRKDQLSLVPGFPV-UHFFFAOYSA-N", "SMILES:c1cc2c(cc1CNCC1(N3CCCC3)COC1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPKDBBPDHXKJN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNCC2(N3CCCC3)COC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJMKYOQELUEKZ-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc(CNCC3(N4CCCC4)COC3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZJZLIMCKISFIG-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(CNCC3(N4CCCC4)COC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTKNDPNELJLRD-UHFFFAOYSA-N", "SMILES:c1cc2cc(CNCC3(N4CCCC4)COC3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKNRIYWNXONFY-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(CNCC3(N4CCCC4)COC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHZQSHREXRVMR-UHFFFAOYSA-N", "SMILES:COc1ccc2ncc(CNCC3(N4CCCC4)COC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZJQMFGKCSMEW-UHFFFAOYSA-N", "SMILES:FC(F)(F)Sc1ccc(CNCC2(N3CCCC3)COC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQSHAMREPZDSDT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(CNCC3(N4CCCC4)COC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAKCEAXCSWHTFO-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(CNCC3(N4CCC(F)C4)COC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNHPSRLXONDBGQ-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]cc(CNCC3(N4CCC(F)C4)COC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGKCDFWGEUZWSU-UHFFFAOYSA-N", "SMILES:FC1CCN(C2(CNCc3ccc(-c4ccccc4)o3)COC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPMLHLWMBCUDX-UHFFFAOYSA-N", "SMILES:Cc1cccc2[nH]cc(CNCC3(N4CCCC4)COC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNHHSDFQBXNIS-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]cc(CNCC3(N4CCCC4)COC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEOKPPOMOBQAJD-UHFFFAOYSA-N", "SMILES:c1ccc2c(CNCC3(N4CCCC4)COC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQSLRLIGYGZSB-UHFFFAOYSA-N", "SMILES:COc1cccc2c(CNCC3(N4CCCC4)COC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMQDWDIYBSIPSN-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(CNCC3(N4CCCC4)COC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTIGYAAMUOQOV-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]cc(CNCC3(N4CCC(F)C4)COC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDUVUKDKWKZVTH-UHFFFAOYSA-N", "SMILES:FC1CCN(C2(CNCc3c[nH]c4ccccc34)COC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXQMHSPLHUJEI-UHFFFAOYSA-N", "SMILES:FC1CCN(C2(CNCc3ccc(-c4ccccc4Cl)o3)COC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXFCRKGABNLSP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Cl)c(-c2ccc(CNCC3(N4CCCC4)COC3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCODDMGMDWRTN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(CNCC3(N4CCCC4)COC3)o2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKQASTYHNMZLH-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccc(CNCC3(N4CCCC4)COC3)o2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGDOWNFPWFXXAL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLNQHOMCWQMHMR-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMEQKFIVHPDALB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POISYAXGHAPNIL-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)c2ccc(C)c(C#Cc3cnc4cccnn34)c2)cc(N2CCN(CCO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWWZTJSLKUQJHC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQCMXFGNJGXFMP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cn(C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHDZAXUXHRQPA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGQVUMXCKBWTN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCYAXWZWFYGGTL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOALPIDEXVYQI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSKADPJHPCAFPT-UHFFFAOYSA-N", "SMILES:CCc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAFDYPYNFTNOB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-n3cnc(C(C)C)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOCSXQQAZHQLI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-n3cnc(C4CC4)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNKLGYLNFISRHP-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGVXVFAKARKMJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXRORPYFPYESF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-n3cnc4ccccc43)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQDGZEKQTNAPOH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-n3cnc(-c4ccccc4)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFRDYSKYNNXDIN-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFHPGPMLKODKU-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cccc(C#Cc4cnc5cccnn45)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLSHHVBRKJTLC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWIFYYZTBNJIMG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-n2ccnc2)cc(C(F)(F)F)c1)c1cccc(C#Cc2cnc3cccnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMRBVWVCTYQNMD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-n3cnc(C4CC4)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZAKXGSLNWKGD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-n2cnc(C3CC3)c2)cc(C(F)(F)F)c1)c1cccc(C#Cc2cnc3cccnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMEQXULLLIXQFQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUREFLANVLNAL-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFCXHKVQAMSFE-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHAMXUPBCOJLJI-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1nnc(Cc2c[nH]c3ccccc23)nc1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJRYMIUVRQYON-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPXPUSSJSBZPFG-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMHAGMZICFKMQQ-UHFFFAOYSA-N", "SMILES:CC(C)c1nnc(Cc2c[nH]c3ccccc23)nc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWHCDIGZVURMK-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccc(C(=O)OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYZMVWLTKUASBR-UHFFFAOYSA-N", "SMILES:c1csc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPELUFOZCAMNRI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(Cc3c[nH]c4ccc(F)cc34)nc2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULKZPGDZLIWCZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(Cc3n[nH]c4ccccc34)nc2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFZVTMXLMZUKO-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(Cc3nnc(-c4ccccc4)c(-c4ccccc4)n3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPWBLHSLYDRHQV-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4ccncc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARHJDZPKXMNNL-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4cnccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVDAAARHDKFXFG-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4ncccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDCXVXQSRMWJY-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3cnc4ccccn34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBMSVWOFAMFTG-UHFFFAOYSA-N", "SMILES:CCCCCc1nnc(-c2ccccc2)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSLFAZITUVLFZ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(CCc3cccnc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIBGTNHYRGCTK-UHFFFAOYSA-N", "SMILES:Cc1cc(Cc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLPXVRBDGXNFQC-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(NCc3cccnc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTILPNCNWFZDY-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccccc1-c1cnc(Cc2c[nH]c3ccccc23)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLJYSDGHIMMOPV-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnnc(Cc3c[nH]c4ccccc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOBXHUMUARGBDG-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnc(Cc3c[nH]c4ccccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMYVGLDMJBMFW-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2cccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFCAUXDEFWSHNV-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2cccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUAZISAZKTHGD-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUHVPDLGVKCLC-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQRSXDSMHBXSLZ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBKAVVLISAXGDQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCUCOOOKZBTXKD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJABOFVWHXGCT-UHFFFAOYSA-N", "SMILES:CC(=O)OCc1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIZRIQRYAPEIPO-UHFFFAOYSA-N", "SMILES:CC(=O)OCc1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVKZLFOACOWAOD-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKKSQDUGCJNKEN-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPCLZGWTIDPOBZ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccc(CN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGBKJLWLVCHTCR-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccc(CN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICUZIJAGBRPKF-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCJYHVQGGWQUJO-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCSDDIFUPUDNO-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBXREVIIPHAEFI-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYCGPVCHBXNNAW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRRXFSMYRXBSM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCBNOILCEWFLFJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKYRZOMLQRMQNK-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DREVNKVYPWYDHU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXARYBHJGXWEGB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGHTBRDQIHDIB-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIOQAGIUQUONF-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVHICOALSFDFKB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFNYMYRIRFYEA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUINWQMYYQZHLB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJNPEWPLABWFD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTEYWRVSXRCWMR-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4cnccc34)nc2-c2cnccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUHFKQVCAMWDIC-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(Cc3c[nH]c4cnccc34)nnc2-c2cnccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHWYGWCSKLMEGM-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4cnccc34)nc2-c2ccnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBNGSNFAIBFBJ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(Cc3c[nH]c4cnccc34)nnc2-c2ccnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHRBPHHIVYZHX-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(Cc3c[nH]c4cnccc34)nc2-c2ccc(CN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTOYTMFBHJQEN-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(Cc3c[nH]c4cnccc34)nnc2-c2ccc(CN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJHJDRSJJNJTQN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2nc(Cc3c[nH]c4cnccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTTJLJIJSNTLFJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2nnc(Cc3c[nH]c4cnccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBEBEGWUCRMPRX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2nc(Cc3c[nH]c4cnccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTRXITXEFEXKF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2nnc(Cc3c[nH]c4cnccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEWURMLBSGFAEE-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1ccc(-c2nc(Cc3c[nH]c4cnccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAVVBWSSUTCIT-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1ccc(-c2nnc(Cc3c[nH]c4cnccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVJKKBMFORTSKA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2nc(Cc3c[nH]c4ccncc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJZAGUOSMKMQO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2nnc(Cc3c[nH]c4ccncc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBUNPKEWVTETN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWVHOZYKPENFD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROCCFOYKKFLWPK-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQCPGWNSUEACM-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHUKQYOITYFHZ-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3nnc(Cc4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUWGYHHGNBIXGX-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBZUHXFMIFGEJ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNC(=O)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMQLDYJSJCZAL-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3nnc(Cc4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWHXDQVFJCANR-UHFFFAOYSA-N", "SMILES:NC(=O)CNC(=O)c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFOGYMSVKADZJP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2nc(Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLUXWMAGQWCCLR-VBIXTJAZSA-N", "SMILES:COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)OC(OC(=O)[C@H](N)C(C)C)C(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHOYNFHXYHARKQ-TVBSMLCFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(N)=O)C(=O)NCC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHIKJGTYMJUDGE-BTRGJUCVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)C(=O)NCC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURTYWRBJHWUDZ-WDMGAOPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)C(=O)NCC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZDLFKRCIBCMH-HNMGLUSTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)C(=O)NCC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRLLCDNKOSPGK-BTRGJUCVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)C(=O)NCC(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRPJZSEFDCNJC-VSGBNLITSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHDFSAXUNSCJZ-WDMGAOPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)C(=O)NCC(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUXEGWWVRSBEO-TVBSMLCFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(N)=O)C(=O)NCC(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJNDEYNPBZPOL-HNMGLUSTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)C(=O)NCC(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDVNMKDOPNNFQ-TZBUZGIYSA-O", "SMILES:CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1)C(N)=O)C(=O)NCC(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOPSAQRKGSBOD-ATXGXBFXSA-O", "SMILES:CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCNC(=O)CCCCC[N+]1=C(/C=C/C=C/C=C2\\N(C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21)C(N)=O)C(=O)NCC(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHUAHFVZMNTCU-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYMZHTZFBOJSY-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAUUCBCNLQOICJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKPUEXCQARNWGD-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRJVBTKGXGSSHD-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKCZBZBWURZDEM-UHFFFAOYSA-N", "SMILES:CCCN(CCC)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMCRBJMFJZSTH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cccc(NC(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNBRMLHCJBFFR-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDSCJDCHYKVMHL-UHFFFAOYSA-N", "SMILES:CCCN(CCC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAYWEWGGWSDWQY-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cccc(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQLEHINJSAHAP-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZQYLOVOGNHZCO-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYBHSOQKSQRCZ-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VINBNLJQGNXIFH-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUAVVJVUZIVRMU-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRRLLIQZQWJAIY-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZLWHPODUZRQFY-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGKTJHGBHPXNO-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKDXQYLENYGCE-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCVMKBNQDIONB-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(I)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKCRKMFYMCFKV-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKZQEQYLPNJGF-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEAPGUVEUAEOFJ-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(OC(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWQMYDGVEKAUFK-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGRISWDEGDVXOW-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(C(=O)Nc2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRDRWYZOFZDRSA-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBOIUKGAUMAIL-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMKPOYZZISVJJU-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1ccc(Br)c(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBUNHYRWANHPP-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cc(Br)cc(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNNBYDEVDUCRR-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DONFLBPXEFLPQL-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPDRTLJVRYSGHG-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1ccc(C)c(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRFKZZKBOMGITD-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cc(C)cc(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTLXUGJQIDIJF-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTOVWOCMZRMLU-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEBAZZYKHKZMOD-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cc(NC(=O)c2ccc(F)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXQJWRPPQGWZNM-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cc(F)cc(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHGYVQRDLZESO-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cc(Cl)cc(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRXAZMFXOIUPOP-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cc(C#N)cc(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUALUQRNPAZLGV-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cc(NC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIECMURPZWIJPK-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cc(NC(=O)c2ccc(F)cc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDWVWKDAWBGPDN-UHFFFAOYSA-O", "SMILES:CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL224392", "category": ["biolink:ChemicalEntity"], "name": "THIOFLAVIN T", "xref": ["InChIKey:JADVWWSKYZXRGX-UHFFFAOYSA-M", "SMILES:Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C.[Cl-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5173582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWXAEBWTZFPHAP-OJFNHCPVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOYOUMDNRYWILK-ZOGPMHITSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDMPYQLUAWJDV-CJEFFJQMSA-N", "SMILES:CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDPCSZJIQTMDD-IEOZYHAZSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUCMBRWTIGPIKH-ZAOLANORSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRVUYLOYGWBKJC-ZXSGVSCISA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFYJVLMRZSZOY-UHFFFAOYSA-N", "SMILES:Cc1cccnc1Nc1nc(-c2ccc(OC3CC4(C3)CN(C3CC3)C4)cn2)ns1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZUVEGAODGIGG-UHFFFAOYSA-N", "SMILES:Cc1cccnc1Nc1nc(-c2ccc(OC3CCN(C4CC4)CC3)cn2)ns1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDIIINCGJYCSI-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2nsc(Nc3ncccc3N(C)C)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOIIUQYBQWFTTJ-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)c1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKCJHLWKMWRKBM-LBPRGKRZSA-N", "SMILES:Cc1c(C(N)=O)oc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5s4)n3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTULPMHYGMMBHH-QMMMGPOBSA-N", "SMILES:Cc1c(C(N)=O)oc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)s4)n3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHEWGFMWWBERPN-LBPRGKRZSA-N", "SMILES:Cc1oc2ncn(Cc3nnn(C[C@H](O)c4cc5ccc(F)cc5s4)n3)c(=O)c2c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXDPFFKXKJQMBY-LBPRGKRZSA-N", "SMILES:Cc1oc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5s4)n3)c(=O)c2c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNZGMOZJDBNRKF-LBPRGKRZSA-N", "SMILES:Cc1c(C(N)=O)oc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(Cl)ccc5o4)n3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPJMGIPUWRMURN-LBPRGKRZSA-N", "SMILES:Cc1oc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(Cl)ccc5o4)n3)c(=O)c2c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKBDMXLHPVFBS-QHCPKHFHSA-N", "SMILES:Nc1c(C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)cnn1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKMEEDDRJBVMR-DEOSSOPVSA-N", "SMILES:Cc1ccc(Cn2ncc(C(=O)N3CCC[C@@]4(C3)OC(=O)Nc3ccc(Cl)c(F)c34)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZJMYPKPSPANNT-QHCPKHFHSA-N", "SMILES:Nc1c(C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)cnn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZLSYOLVXGJPQ-LUTIACGYSA-N", "SMILES:CCC(C1CCOCC1)n1ncc(C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIIUCAYVYGGQGS-OZBJMMHXSA-N", "SMILES:Nc1c(C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)cnn1C(C(F)(F)F)C1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGMKEAIOTTZUKO-BIAFCPFJSA-N", "SMILES:CCC(c1ccccc1)n1ncc(C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDVFOUJUARLQJK-QFMRLBMFSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@@]4(CCC(=O)N4C)CC3)cc2cc1C(=O)Nc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCLRYKVPNGGTRV-IYARVYRRSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](N(C)C(C)=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVNKPUWTRJPHR-CKQQTVSASA-N", "SMILES:COc1cc2nn([C@H]3CC[C@@]4(CC3)CC(=O)N(C)C4)cc2cc1C(=O)Nc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJNAZJEJGPYLH-KBAYOESNSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKRCXWXNDQEWLF-HZCBDIJESA-N", "SMILES:CO[C@H]1C[C@H](Oc2cc3nn(C4CCC5(CC4)CN(C(C)=O)C5)cc3cc2C(=O)Nc2cnc3cccnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MORVKJKAMSLZFH-VAMGGRTRSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](N(C)C(=O)N4CC[C@@H](O)C4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAMWINOYCFVBTD-MPLMQSIWSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRWWKJURUZOFS-XOGKYOQESA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRWWKJURUZOFS-VMWYBRDSSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUCIHNDYLLOPM-IHYUACSLSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@H]1CC[C@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRTDFVAGCBNIPJ-OOBICMDTSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](CO)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAMWINOYCFVBTD-OOBICMDTSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNHLWUNKPACLB-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCN(C)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMMYUOTNSORRO-UHFFFAOYSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCN(C)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOQIJPHCNFJJTO-UHFFFAOYSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERJTVXHERVFCQ-UHFFFAOYSA-N", "SMILES:Cc1cc2nnccc2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZAAHLAQZPHBG-UHFFFAOYSA-N", "SMILES:Cc1cc2ncncc2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPVUNETUEQQLTD-UHFFFAOYSA-N", "SMILES:Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWUSAMFKHBZSJS-UHFFFAOYSA-N", "SMILES:Cc1cc2nnccc2cc1Nc1ncc2c(n1)n(C1CCN(C)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHQYJOFNJZOTQM-UHFFFAOYSA-N", "SMILES:Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C1CCN(C)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUAYUJMPGUYFPI-UHFFFAOYSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCNCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFQDJSERMBSAM-OAHLLOKOSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CCN(C)C1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWGQRICHVVQIJ-INIZCTEOSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@H]1CCN(CCO)C1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYGQNXHUOOXVEM-KRWDZBQOSA-N", "SMILES:COCCN1CC[C@H](n2c(=O)n(C)c3cnc(Nc4cc5cccnc5cc4C)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOEXHRDRWNBICP-INIZCTEOSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@H]1CCN(C3COC3)C1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRERCWQPCPCMRM-RDTXWAMCSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CN(C)C[C@H]1F)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRERCWQPCPCMRM-KBXCAEBGSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CN(C)C[C@@H]1F)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGGSMHLKWIQAF-CZUORRHYSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CNC[C@H]1F)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGGSMHLKWIQAF-XJKSGUPXSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CNC[C@@H]1F)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFQDJSERMBSAM-HNNXBMFYSA-N", "SMILES:Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@H]1CCN(C)C1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEPCEKHFXSYBU-QJPTWQEYSA-N", "SMILES:CC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2"]}
{"name": "Protein phosphatase 1 regulatory subunit 12A", "xref": ["CHEMBL.TARGET:CHEMBL5169148"], "id": "UniProtKB:Q10728", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSMVNDISWEOQE-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1csc(C#C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWHYWEHRTWXUFV-UHFFFAOYSA-N", "SMILES:C#Cc1nc(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQHSNGAYMGQOBE-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1csc(C#Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZBXXOVQHAJGU-KRWDZBQOSA-N", "SMILES:C=CCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFSNSGHYILFQBP-INIZCTEOSA-N", "SMILES:CCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZXQMPPNXAWPW-SFHVURJKSA-N", "SMILES:CCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPOSZPFSZXKXGA-IBGZPJMESA-N", "SMILES:CCCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGZICUTHUVFMY-FQEVSTJZSA-N", "SMILES:CCCCCCOc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCFHNBUIJJAWDA-KRWDZBQOSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(OC)c(OC(C)C)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFZVKIKTBRTOH-IBYPIGCZSA-N", "SMILES:CCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUAGSDVLZCNRF-FUBQLUNQSA-N", "SMILES:CCCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVIQARDKDWUEK-FZCLLLDFSA-N", "SMILES:CCCCC(C)Oc1cc2c3c(c1OC)-c1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTWSKFVLXHLNQ-SFHVURJKSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(OC)c(OCC3CC3)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKDPWYWVIJDAM-FQEVSTJZSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(OC)c(OC3CCCCC3)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKDELNCCMATRB-NRFANRHFSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccc(Br)cc3)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQTVQOIRXFVOPO-NRFANRHFSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccccc3)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228082", "category": ["biolink:ChemicalEntity"], "name": "GLAUCINE", "xref": ["InChIKey:RUZIUYOSRDWYQF-HNNXBMFYSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3581244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOBIUMDGKNIQPA-INIZCTEOSA-N", "SMILES:CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTIFULQDPSJMJ-SFHVURJKSA-N", "SMILES:CCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3580670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHQLARXYURPMMU-IBGZPJMESA-N", "SMILES:CCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWZZTZUXCTVBT-FQEVSTJZSA-N", "SMILES:CCCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTJRXEBAFHPXDV-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1OCCF)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWLLSYNTUNFXOD-KRWDZBQOSA-N", "SMILES:COc1cc2c(cc1OC(C)C)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUJZPFSOCBKTR-IBYPIGCZSA-N", "SMILES:CCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLYKMPWESPGEQV-FUBQLUNQSA-N", "SMILES:CCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWXMHVJMFNQKBH-FZCLLLDFSA-N", "SMILES:CCCCC(C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITKXTKLSSVWHN-SFHVURJKSA-N", "SMILES:COc1cc2c(cc1OCC1CC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSWJDGFCIJRHS-FQEVSTJZSA-N", "SMILES:COc1cc2c(cc1OC1CCCCC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMOKSIWTONGRSL-KRWDZBQOSA-N", "SMILES:C=CCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTMHCAFEUMSIV-NRFANRHFSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXLPSYHSQXWFAK-NRFANRHFSA-N", "SMILES:COc1cc2c(cc1OCc1ccc(Br)cc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLGQGVFCWNHQOS-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(OC)c(OCCF)cc3c1[C@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQDKYJBFAREBIO-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(C(=O)OCCO[N+](=O)[O-])CCCN1S(=O)(=O)c1cccc2cncc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMTKQTBKNSUWRT-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(C(=O)OCCCO[N+](=O)[O-])CCCN1S(=O)(=O)c1cccc2cncc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZARZTVDSAHZYSP-HNNXBMFYSA-N", "SMILES:C[C@H]1CN(C(=O)OCCCCO[N+](=O)[O-])CCCN1S(=O)(=O)c1cccc2cncc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUMVBSIBURICOB-INIZCTEOSA-N", "SMILES:C[C@H]1CN(C(=O)OCCCCCO[N+](=O)[O-])CCCN1S(=O)(=O)c1cccc2cncc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRFXEQOQGZVMK-DLOJSMANSA-N", "SMILES:C[C@H]1CN(C(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])CCCN1S(=O)(=O)c1cccc2cncc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWJPEYUHWFWQON-RSAXXLAASA-N", "SMILES:C[C@H]1CN(C(=O)OCCCCO[N+](=O)[O-])CCCN1S(=O)(=O)c1cccc2cncc(F)c12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWULHVRXGNSEJ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C2CC2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDELEWVDOLMGPI-UHFFFAOYSA-N", "SMILES:CN1CC(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLRZRNVZLZEHEN-UHFFFAOYSA-N", "SMILES:CC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUSHLUFHADCANU-UHFFFAOYSA-N", "SMILES:CCC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMHMEFKERQOTPM-UHFFFAOYSA-N", "SMILES:CCCC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKOVBJPNKDQULA-UHFFFAOYSA-N", "SMILES:CC(C)C1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWJYYPSNMJATA-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(CC2CC2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWNYUNNYPOWOMW-UHFFFAOYSA-N", "SMILES:CC(C)CC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBKPDOBQAFXAGB-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2ccccc2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPCHRHKTTYRGAU-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2ccc(F)cc2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTOWPNFHOQGQNY-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2cccc(F)c2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBAABBXJFAOESM-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2cccc(Cl)c2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPSRBYCXQVKDB-UHFFFAOYSA-N", "SMILES:COc1cccc(C2C(=O)N(C)c3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc3N2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEDJLAQNIVVBW-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2cccc(C(F)(F)F)c2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUASVPFDCAWAIQ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2ccccc2F)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKWVVGIBUYRIL-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2ccccc2Cl)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEIAKDAIDQPRK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCNNYPLFDGVCU-UHFFFAOYSA-N", "SMILES:CCc1ccccc1C1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJPACQAMNWGMF-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOHZOWJISISYNP-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2ccccc2C(F)(F)F)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJBOPAMRUUOWMU-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2ccccc2Br)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIAAMIVUSUMABB-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1C1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NILIZWLZZUWQHE-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1C1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOEJZUUVEWCSEG-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2c(F)cccc2F)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCPFOTUAFAHQFE-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2cccs2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WETSQKZVPSQMOO-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(CC2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFGHNWJFGRLFNN-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(CCC2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCAXZEGVUAEBQW-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(CCCC2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGRZEABKQKJHU-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(CCCCC2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTBLIXZCZMNDY-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C)C(c2c(F)cccc2F)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFFTWORKWNCKI-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2c(F)cccc2F)N(C)c2nc(Nc3ccc(S(=O)(=O)N(C)C)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDAPOGJFHOPNZ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(c2c(F)cccc2F)N(C)c2nc(Nc3ccc(S(=O)(=O)NCC4CC4)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUNJOPJEJKUJHG-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C)C(c2ccccc2C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMFAXNIAIWIPQ-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C)C(c2ccccc2C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBFNOGHUPVLGI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)N(C)C)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXILDBZBJDQVSD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NC4CC4)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETIGJJLCPNAGG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NCC4CC4)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBHIHCUUXGCLIN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1C(=O)N(C)c2cnc(Nc3ccc(C(C)(C)C#N)cc3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMPDQYHVWLSKD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1C(=O)N(C)c2cnc(Nc3ccc(C4(C#N)CC4)cc3)nc2N1C"]}
{"name": "Serine/threonine-protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL5169099"], "id": "UniProtKB:O54748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXPJKRDDFUBCNV-FAMNKWDFSA-N", "SMILES:O[C@H]1CCCC[N+]23C[C@@H]4C=C5CC/C=C\\CCCCN6CC[C@@H]4[C@](CC[C@H]12)(C6)[C@H]53"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXPJKRDDFUBCNV-VGOXNRICSA-N", "SMILES:O[C@@H]1CCCC[N+]23C[C@@H]4C=C5CC/C=C\\CCCCN6CC[C@@H]4[C@](CC[C@H]12)(C6)[C@H]53"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYZOOUJAWUDAP-WCBMZHEXSA-N", "SMILES:COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(N)=O)=NO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5180215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAFYRYIJAJPCTK-GOEBONIOSA-N", "SMILES:COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCc1cnc[nH]1)=NO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458691", "category": ["biolink:ChemicalEntity"], "name": "APLYSINAMISINE II", "xref": ["InChIKey:GCYSDIFCRYTRFB-XJKSGUPXSA-N", "SMILES:COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCCCNC(=N)N)=NO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5184002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBCAZWEMFVRHE-FUHWJXTLSA-N", "SMILES:COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCc1cc(Br)c(O)c(Br)c1)=NO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5191097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKNRYKRVFBEUOU-CHATWSTOSA-N", "SMILES:COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCc1cc(Br)c(OCCC(C(=O)[O-])[N+](C)(C)C)c(Br)c1)=NO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOAHKXJTMBQLI-VFCFBJKWSA-N", "SMILES:COc1ccc(C/C(=N\\O)C(=O)NCCc2cc(Br)c(OCCCN(C)C)c(Br)c2)cc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL465039", "category": ["biolink:ChemicalEntity"], "name": "PURPUREAMINE I", "xref": ["InChIKey:QNWJAZMBGXECMI-TURZUDJPSA-N", "SMILES:CNCCCOc1c(Br)cc(CCNC(=O)/C(Cc2ccc(OC)c(Br)c2)=N/O)cc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5183798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGUXLHCNCEFRX-OSGPJOMKSA-N", "SMILES:COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(C[C@H](N)C(=O)O)cc1Br)=NO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5206414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORVDGQLPPAFRS-SKUTZOOXSA-N", "SMILES:Br.COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CCN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITSJCBANBRVPC-RYYXGZFZSA-N", "SMILES:COc1c(Br)cc(C/C(=N\\O)C(=O)NCCc2nc(N)[nH]c2C(O)(Cc2cc(Br)c(OC)c(Br)c2)C(=O)NCCc2cnc(N)[nH]2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL516703", "category": ["biolink:ChemicalEntity"], "name": "WITHANONE", "xref": ["InChIKey:FAZIYUIDUNHZRG-PCTWTJKKSA-N", "SMILES:CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4101719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLKIWJNLTMGQET-UHFFFAOYSA-N", "SMILES:OCCCc1nc(-c2ccc(F)cc2)c(-c2ccnc3[nH]c(-c4ccccc4)cc23)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBRPXRJBHDKKT-UHFFFAOYSA-N", "SMILES:OCCc1nc(-c2ccc(F)cc2)c(-c2ccnc3[nH]c(-c4ccccc4)cc23)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVBXNSDEQMCSMK-UHFFFAOYSA-N", "SMILES:OCCCCc1nc(-c2ccc(F)cc2)c(-c2ccnc3[nH]c(-c4ccccc4)cc23)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTJMDKKUIMADW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(CCCO)nc3-c3ccc(F)cc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVFPBLJZZDHSS-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(CCCO)nc3-c3ccc(F)cc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJBUNIMGITKPH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)cc(N2CCN(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVXVVBRYZHAWFN-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZJHBAPOKJZFW-RUZDIDTESA-N", "SMILES:CCC(=O)N1CCC[C@@H](N2CC(c3cccc(F)c3Cl)=C(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLWGBZNXIVAKC-OGLKEZPNSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@@H](N2C(=O)N(c3ccccc3Cl)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWCBRVQDHYFJEF-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2cncc3ccccc23)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFBFTXEDGUXNL-DEOSSOPVSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccc(F)cc5)n([C@H]5CCN(S(=O)(=O)C6CC6)C5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNRDSAPTFJHPFA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccc(F)cc5)n(C5CCN(C(=O)CO)CC5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVPVOPFRVKZHG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(OCCCC)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJOOUOTNBYQHW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(OC4CCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYSKXRAGBGLELB-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZABBRQASQVBFDE-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIRTKLJXKZCNC-UHFFFAOYSA-N", "SMILES:CCC1CCN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4558528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPNTXOKOIHPCLI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Oc3ccc4c(c3)C(=O)N(Cc3ccccc3)c3cc(F)ccc3N4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJABCMLNSSTCHS-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Oc3ccc(N4CCNCC4)cc3)ccc2Nc2ccc(F)cc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMWLAFRSNCXDX-UHFFFAOYSA-N", "SMILES:O=C1c2cc(-c3ccc(N4CCNCC4)cc3)ccc2Nc2ccc(F)cc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKFCUHMOEKHJLB-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2Nc2ccc(F)cc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJCQYLIQBFEHH-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)ccc2Nc2ccccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMRRNKPYCBBKDT-XQESHEEFSA-N", "SMILES:CC(=O)N[C@H]1CC[C@H](n2c(=O)c(-c3ccccc3Cl)cc3ccc(Nc4ccc(N5CCN(C)CC5)c(C)c4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLFYHIWNJVNRR-XQESHEEFSA-N", "SMILES:CCC(=O)N[C@H]1CC[C@H](n2c(=O)c(-c3ccccc3Cl)cc3ccc(Nc4ccc(N5CCN(C)CC5)c(C)c4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSADFXZBXNTHOQ-IYARVYRRSA-N", "SMILES:Cn1cc(-c2cc(C(=O)/N=c3\\[nH]c4ccccc4n3[C@H]3CC[C@H](O)CC3)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDJAPMETZJFMI-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]c(-c5ccccc5)cc34)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSQDBUBGHLWBSE-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2ccc(F)cc2)c(-c2ccnc3[nH]c(-c4ccccc4)cc23)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1328065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMNCZKFTUQNJT-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTUCHARDQHTEK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(O)c(-c2nc(NCc3cccnc3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPISIZFSGAZROV-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRXROXSPQRVKGS-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(CCO)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKMIHRTMINQDO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(N)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCYOPZGXQUMCPD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(O)c(-c2nc(NCc3cccnc3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDODJLGZFKWWCO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(O)c(-c2nc(NCc3cnccn3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDRVSRIKUIYXKQ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2CN1C(c1nc(=O)c2ccccc2[nH]1)c1cc(F)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRSCCESMUDSCTN-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWRVRDCBFYLYFU-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEDIAVUISYTDCR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(O)c(-c2nc(NCc3ncccn3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJYIJTTUEFWIID-ZPGRZCPFSA-N", "SMILES:COc1ccc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)CN2CC(=O)N(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)C(=O)N(C)c3ccc(OC)cc3)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGDYDLLLKOBJEX-BCRBLDSWSA-N", "SMILES:COc1ccc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)CN2CCN(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)C(=O)N(C)c3ccc(OC)cc3)C(=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZOMGAAUPUXSS-HBQBBNSBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXYFCOEFFGFII-KLCMIFLUSA-N", "SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDDEKMDCMZGPE-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C(Cc2ccc(Cl)cc2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBPNCTSVGPLUFN-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C(Cc2ccc(F)cc2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZUYDDWRTYYYCT-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C(Cc2ccc(C(F)(F)F)cc2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLWRTBWHLGBLL-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C(Cc2cccc(Br)c2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOSRUUNCVVKGD-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQIOPTWXJJRSDP-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C(Cc2cc(C(F)(F)F)ccc2Cl)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZCVODMJTVTAHG-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C(Cc2c(F)cccc2C(F)(F)F)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAZMJAQYTDMDDL-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(CCNc2ccccc2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPJHMNTUDMUJS-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(CCNc2ccc(F)cc2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUZZRWGCWOLCQH-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(CCNc2ccc(Cl)c(Cl)c2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGCJUIWFYRCLFU-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(CCNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPNZLLTOMDMNC-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(CCNc2ccc(C(=O)c3ccccc3)cc2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBTSHMQXMKZZES-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(CCNc2ccc(-c3cccs3)cc2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCIKUPOMTXHTDO-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(CCNc2cccc(Cc3ccccc3)c2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFPIMPYEYUJNGI-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCCCC2)c(NCCC2COC3(C=CC(=O)C=C3)N(C)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UINTVEZGASXCJW-MFKUBSTISA-N", "SMILES:CN1C(=O)C(C/C=N/n2c3ccccc3c3ccccc32)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLFRTQCBIEWFA-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(CCNc2cc(F)cc(C(F)(F)F)c2)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTHTZTIMQNXHQB-UHFFFAOYSA-N", "SMILES:CC(C)[Si](OCCC1COC2(C=CC(=O)C=C2)N(C)C1=O)(C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFPQOJSUMNAKK-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDPRWWKVWJCEQV-JTHRFTPNSA-N", "SMILES:CN1C(=O)C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC12C=CC(=NNc1ccccc1)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QURGADFJOXHFCG-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC12C=CC(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUSBKQWPVKTBHB-UHFFFAOYSA-N", "SMILES:O=C1C=CC2(C=C1)OCC(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEGXLWHPYDRNN-UHFFFAOYSA-N", "SMILES:O=C1C=CC2(C=C1)OCC(Cc1cn(-c3cccc(Cc4ccccc4)c3)nn1)C(=O)N2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUKIJOMOVGMWEG-VWLOTQADSA-N", "SMILES:O=C1COc2c([C@@H](O)CNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTJIRVZJJGFTK-UHFFFAOYSA-N", "SMILES:CCN(C(=O)CO)C1CN(/C(=N\\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJJDLHGZUOMQP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPVIMKGAARTVTE-BTYMCAMKSA-N", "SMILES:CN1CCCCC1CCO/N=C1C(=C2/C(=O)Nc3ccccc32)/Cc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXSXPOIEBEDOM-YRZTTZRYSA-N", "SMILES:CN1CCCCC1CCO/N=C1C(=C2/C(=O)Nc3ccc(F)cc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QURZLHALIUSWDR-POIIKYJHSA-N", "SMILES:CN(C)CCCO/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCCSDHCAAWFKG-KZUJFRSNSA-N", "SMILES:CN1CCCC1CCO/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STYZRNSOORYOAO-GRXPJKNZSA-N", "SMILES:CN1CCC(O/N=C2C(=C3/C(=O)Nc4ccccc43)/Nc3ccccc3/2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXBIAOYDLBLCFX-WKVCDGSWSA-N", "SMILES:CN1CCCCC1CCO/N=C1C(=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVWXQMAGGZBEY-YRZTTZRYSA-N", "SMILES:CN1CCCCC1CCO/N=C1C(=C2/C(=O)Nc3cc(Cl)ccc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLLPCSWBAPKAM-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4nonc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVUKYBUUPSOMY-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4nsnc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZZWZUMFMDJBS-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3cnc4nsnc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAZFNIRSNDUNZ-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3ccc4n[se]nc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVBTKAYZUMLGK-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3cnc4n[se]nc4c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHJKUFBWNLTPY-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(-c3ccccc3Cl)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCVOWFADYHOEQH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(-c3cccc(Cl)c3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCILRFAXHUFLY-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPYXKDPWWXNFOA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(-c3ccccc3Br)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTMYJVLJUAGPQF-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(-c3cccc(Br)c3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBKDOPILSRPGE-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZZWSKGUZXOABY-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(-c3ccccc3C(F)(F)F)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWDTVZVBIXHPU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMVQAJVCZLQOGS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPSMKPPHXFXJED-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc(-c3cccc(OC(F)(F)F)c3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVGKZTVITVIJSO-UHFFFAOYSA-N", "SMILES:OC1c2ccccc2-c2nc(-c3ccccc3C(F)(F)F)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTUDFFYBLSJPSP-UHFFFAOYSA-N", "SMILES:OC1c2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKYNKPJNGGPVIY-UHFFFAOYSA-N", "SMILES:OC1c2ccccc2-c2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZCCXJAFTYMVFR-UHFFFAOYSA-N", "SMILES:OC1c2ccccc2-c2nc(-c3ccccc3OC(F)(F)F)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWRLOMCSEQWEHG-UHFFFAOYSA-N", "SMILES:OC1c2ccccc2-c2nc(-c3cccc(OC(F)(F)F)c3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJEDFHMWCLSBPF-UHFFFAOYSA-N", "SMILES:OC1c2ccccc2-c2nc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPZFIBPBMHMRF-UHFFFAOYSA-N", "SMILES:OC1c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIACQYRJVZOTIK-UHFFFAOYSA-N", "SMILES:CC(C)CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPFNDWVXUASQLC-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGEBFGUELPJZFO-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJWCJUMROQNKZ-UHFFFAOYSA-N", "SMILES:Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAZPGTOMBDJACQ-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXYOAABUMJNIO-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CC2CC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIJDJYVMJOKPR-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C2CCCC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBRDMWVKOYCPN-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CC2CCCCC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHWPTQYCZVDCK-UHFFFAOYSA-N", "SMILES:CC(C)(O)Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPTWYOLSQNVOZ-UHFFFAOYSA-N", "SMILES:C=CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLPDPONKNKCDC-UHFFFAOYSA-N", "SMILES:CC(C)=CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJMFEIOLJPAEW-UHFFFAOYSA-N", "SMILES:C#CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODGXALMKIXEGRR-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccccc2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDXBFAJDZXXPG-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccccc2F)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOEVGVRNLWZRMY-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccccc2Cl)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRUYMAILFLBGB-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2cccc(F)c2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNHDYZYATCEWMB-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2cccc(Cl)c2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196854", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDFWVVVUTZKFY-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccc(Cl)cc2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZGSOLJGDAITGB-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccc(Br)cc2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULDOZNVJKBHRDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(C#N)c3cc(NC(=O)c4cc(=O)[nH]cn4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABWYGBNUWFPWLM-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(C#N)c3cc(NC(=O)c4cc(=O)[nH]cn4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLZDYRFFXLMRX-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C#N)c2cc(-c3nccc(O)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVVUZHFIFWMGO-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(C#N)c2cc(-c3nccc(O)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKOLLMFRLRYSC-UHFFFAOYSA-N", "SMILES:CC(C)CCn1cc(C#N)c2cc(-c3nccc(O)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWGYJKQVDCXJY-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CC2CC2)c2ccc(-c3nccc(O)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCDHGYPAMODFAC-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C2CCCC2)c2ccc(-c3nccc(O)n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUFAPKOCRZYSHH-CVTBAMPXSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPVXYQTOBDQKA-UFNOZGALSA-N", "SMILES:COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJYZGDHIJJFPQ-QXQWIYNLSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)OCC(=O)NCCO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIBXLFAPHKHSEG-SKHUFZRLSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)OCC(=O)N(C)CCO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVDJQZPCLMEKX-NWMAJJNISA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)OCC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYVYLQHCBRASM-TZUUTBPDSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)OCCNC(=O)OC(C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWFDELSWBZHRS-WRAFONGMSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)OCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKAUXQOCXUYJDK-JCOMTLJESA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)OCCN3CCNC(=O)C3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVEMJPVXKIHTCQ-RYQRMMBRSA-N", "SMILES:CNC(=O)CNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2298952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMSAJSJGGFAPBJ-GPOJBZKASA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(N)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLWGRPQDSPCFNH-UFNOZGALSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)NCCBr)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQRMKGPLCGCSPY-NWMAJJNISA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)NCC(N)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZBYZCRISCNXPS-NWMAJJNISA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFGOCPHTDJDQJM-XHVSEXIISA-N", "SMILES:CNC(=O)CNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHESCYSMOWVJNB-XHVSEXIISA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)NCCC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVCRLYEWUZZRH-QXQWIYNLSA-N", "SMILES:CNC(=O)CCNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYEWLVQWUVDKKH-SKHUFZRLSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)NCC(=O)N(C)CCO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYRBJDKQKXITJG-RSDXPSSRSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)NCC(=O)NCC(O)CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBXVVWYVIOJDL-UHFFFAOYSA-M", "SMILES:Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.c1cc2cccc3c4cc5n[n+]6c7ccccc7n7cccc7c6cc5cc4c(c1)c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWAMPIWKRFVLD-UHFFFAOYSA-M", "SMILES:Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1cc2c3cccn3c3cc(Cl)ccc3[n+]2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBHZXSSTNHGJJ-UHFFFAOYSA-M", "SMILES:CCc1cc2c3cccn3c3cc(Cl)ccc3[n+]2nc1CC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTSKXALZKWWTFN-UHFFFAOYSA-M", "SMILES:CCc1cc2c3ccc(Br)n3c3cc(Cl)ccc3[n+]2nc1CC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAEYPVAXNWCGNP-UHFFFAOYSA-M", "SMILES:Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1cc2c(cc1C)[n+]1ncccc1c1ccc(Br)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTAGPQXIQYRSP-UHFFFAOYSA-M", "SMILES:Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1cc2c(cc1C)[n+]1nc(C)c(C)cc1c1ccc(Br)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNRBISIIIDKLPV-UHFFFAOYSA-M", "SMILES:Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1cc2c3cccn3c3cc(Cl)c(Cl)cc3[n+]2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPCKZJLDZHFRIV-UHFFFAOYSA-N", "SMILES:O=C(NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHJVIMROKPCEQY-UHFFFAOYSA-N", "SMILES:O=C(NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)OCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQJKJZYHBFAKO-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(C(=O)Nc2sccc2C(=O)NC(=O)OCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIQXKXGRLEXPE-UHFFFAOYSA-N", "SMILES:O=C(NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)OCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKCODLXVAGRWAT-UHFFFAOYSA-N", "SMILES:O=C(NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)OC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFUXNHFQUDRADP-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCUGAXIEMUIWCX-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKNQVYEXSQGHB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2sccc2C(=O)NC(=O)OCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZKRZBWPFXVGA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2sccc2C(=O)NC(=O)OCC2CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFNGCVVYMRFIJ-KBPBESRZSA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFIBMZDBWSGDW-GJZGRUSLSA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTAAEFJIYIRDIV-STQMWFEESA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRSWCTVFBWHKE-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMQQUZBDIHUQV-OALUTQOASA-N", "SMILES:O=CN1[C@H](C(=O)Oc2ccccc2)Cc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASRHCLBACQOIHY-ROUUACIJSA-N", "SMILES:O=CN1[C@H](C(=O)Oc2ccccc2F)Cc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGEFABNOSYKHMX-ROUUACIJSA-N", "SMILES:O=CN1[C@H](C(=O)Oc2ccccc2Cl)Cc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCQYRQHZLIKDE-ROUUACIJSA-N", "SMILES:O=CN1[C@H](C(=O)Oc2ccccc2Br)Cc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHYQBWGBTQAYNU-RERZGLEZSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(CCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIFTIGEWSMNLK-RKROREJRSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(CCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCQTFNRVRZVSG-MLPLAHBKSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(CCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUDNLDRTOYHAK-SWGHGFEUSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(CCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMQKEDHPTQZDSM-IPVUVHESSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(CCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCDWJQMEWFYKEZ-AXHXVYJZSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(CCCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLCJPIAJDUZOIY-HRCVVWNVSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(CCCCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCCWYQDFQTRHY-ZKGBFYIRSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(CCCCNC(=O)COc5cccc6c5C(=O)C(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORZPRLVKUMTOJ-XGDNGBMYSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOOMURPCSMHOP-BONSOQDYSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)CCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBBVTLHCZOFSY-IFDNYZKCSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)CCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWJPCFAVATLSZ-RERZGLEZSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)CCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJKCEEDXZGWAIW-RKROREJRSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)CCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXAUUAVSPYBRSD-IFDNYZKCSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)CNc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JESXHWUBMBVYMW-MLPLAHBKSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)CCCCNc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXEHPWUOZLISND-SWGHGFEUSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)CCCCCNc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPUPJUELCIYFX-IPVUVHESSA-N", "SMILES:CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)CCCCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATNNUKBJZFOVTK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)C2CCNCC2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULAGQOZAHCFBV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUAXFGRKBANKEN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)C2CCC2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMIEOYLTOQFPM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)C2CC2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKZVPBZUTXOMBK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARWXKUZCPIYPT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONHMGLJYLMXMKR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2cccc(F)c2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDZPOQDVXLXDEY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSJOHNMQZIXKDH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJDGSYGIRPJKA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)Nc2c(F)cc(F)cc2F)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWJKHVUDMATBD-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)Nc2ccc(NC(=O)Nc3nc4ccc(O)cc4s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJZDPPPJTZRJK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2cccc(O)c2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRANCYCBOLXFK-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2ccc(NC(=O)Nc3nc4ccc(O)cc4s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYAOBJWIKKKPMG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOKRCIGUPSXJKK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNOPAFXBMHAAV-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc(NC(=O)Nc2nc3ccc(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEFUFKXGAMLMTP-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(NC(=O)Nc3nc4ccc(O)cc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMEHUCXLRATIIB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)NCc2ccccc2)cc1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPCXDDJDMAZHHQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(NC(=O)Nc2nc3ccc(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUYPFUNGEZREPN-QGZVFWFLSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)Cn1cncn1)c1ccc2c(c1)OCCO2"]}
{"name": "Squalene epoxidase ERG1", "xref": ["CHEMBL.TARGET:CHEMBL1897"], "id": "UniProtKB:Q92206", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCYYUPQAOFTNFI-FPOVZHCZSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cccc2c1OCCO2)C(=O)N[C@@H](Cn1cncn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL626", "category": ["biolink:ChemicalEntity"], "name": "NAFTIFINE", "xref": ["InChIKey:OZGNYLLQHRPOBR-DHZHZOJOSA-N", "SMILES:CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12"], "synonym": ["Naftifine", "Naftifine", "Naftifine", "Naftifina", "Naftifine", "Naft-500", "Naftifine", "AW-105-843"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5171574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDOJMVSSARNUMH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CN(Cc3ccc(F)cc3F)CCS2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSHTYPFKXPVRE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORVDGQLPPAFRS-HVDONWHASA-N", "SMILES:Br.COc1ccc2c3c1OC1C[C@@H](O)C=C[C@@]31CCN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXWXCRWPZKSWSM-KUAHQZFASA-N", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)N5CC6CCN(CC6)C5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOFPJAHUQDSDR-PZPGJONLSA-N", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)N5CC6CCN(CC6)C5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYYWAOQUXNJOCV-HMPDDEAPSA-N", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)N6CC7CCN(CC7)C6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCLYNEWGWJXQPD-RLSCRFODSA-M", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)N3CC[N+]4(C)CCC3CC4)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVUYCLUJAIFZTJ-KOSNOMINSA-M", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)N5CC6CC[N+](C)(CC6)C5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWXKIMJPUYBPC-RGDILMDASA-M", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)N5CC6CC[N+](C)(CC6)C5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDYMHUYJSPWVBT-QTAZUUMESA-M", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)N3CC4CC[N+](C)(CC4)C3)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOAJBNBEJIVJEK-BSJOLTGKSA-M", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@H]5[C@H](C(C)=O)CC[C@]5(C(=O)N5CC6CC[N+](C)(CC6)C5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWEINMWXBYUOFR-KRQJHKQLSA-M", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C[C@H]4[C@@H]5C[C@@](C)(C(=O)N6CC7CC[N+](C)(CC7)C6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHHSSHCBRVYGJX-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYHGBMBMORPOPL-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCC(=O)NCc3cccc(COc4nc(N)nc5[nH]cnc45)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL339133", "category": ["biolink:ChemicalEntity"], "name": "LOMEGUATRIB", "xref": ["InChIKey:JUJPKFNFCWJBCX-UHFFFAOYSA-N", "SMILES:Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1"], "synonym": ["Lomeguatrib", "O6-(4-bromothenyl)guanine", "Patrin-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUHOVAHJTCSLRW-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCC(=O)NCc3cccc(COc4nc(N)nc5[nH]cnc45)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUGYDSCMCOIQL-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCOCCOCC(=O)NCc3cccc(COc4nc(N)nc5[nH]cnc45)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICYJWBLGLGCISW-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCCCn3cnc4c(OCc5ccccc5)nc(N)nc43)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QREXIIMFKILAKI-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCCn3cnc4c(OCc5ccccc5)nc(N)nc43)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANCPKSTYVAEJTQ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCOCCOCCn3cnc4c(OCc5ccccc5)nc(N)nc43)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGFGOWQBJKFPX-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCCCn3cnc4c(=O)[nH]c(N)nc43)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWCUJRODWUZTD-AOOOYVTPSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3ccc4nnc(Cl)n4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWHJAHLJFNFTGF-AOOOYVTPSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3ccnc(C(F)(F)F)n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBRGJAXYMELKT-BETUJISGSA-N", "SMILES:FC(F)(F)c1cccc(N[C@H]2CC[C@@H](Nc3ccnc(C(F)(F)F)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBFPZRXGCGENDT-GASCZTMLSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3cnc4ccccc4c3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWNFVJCFWMMZKY-OKILXGFUSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3ccc4cnccc4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXDMBBUYJWYOR-PHIMTYICSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3ncnc4sccc34)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOXRTAZAXWFLF-PHIMTYICSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3ccc4ncc(Cl)n4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXBFUMHNUDIKD-PHIMTYICSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3ccc4nncn4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEMGSIWMEYAJDW-AOOOYVTPSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3ccc4nnc(Br)n4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMKXJHWPZHQJQM-PHIMTYICSA-N", "SMILES:CSc1nnc2ccc(N[C@H]3CC[C@@H](Nc4ccnc(C(F)(F)F)n4)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCDMDNDLPZEMHV-TXEJJXNPSA-N", "SMILES:Cc1nnc2ccc(N[C@H]3CC[C@@H](Nc4ccnc(C(F)(F)F)n4)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJYBEFVCKYCMX-BETUJISGSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3ccc4nnc(C5CC5)n4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRABNCFURZYYIL-AOOOYVTPSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3ccc4nnc(C(F)(F)F)n4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAHZIFKWPUBHKG-AOOOYVTPSA-N", "SMILES:Nc1nnc2ccc(N[C@H]3CC[C@@H](Nc4ccnc(C(F)(F)F)n4)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWCGXJHPSJHSO-PHIMTYICSA-N", "SMILES:CN(c1ccc2nnc(Cl)n2n1)[C@H]1CC[C@@H](Nc2ccnc(C(F)(F)F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZWOPQIXJGYIGY-PHIMTYICSA-N", "SMILES:CN(c1ccnc(C(F)(F)F)n1)[C@H]1CC[C@@H](Nc2ccc3nnc(Cl)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKBAARUZJYCCK-AOOOYVTPSA-N", "SMILES:FC(F)(F)c1nccc(O[C@H]2CC[C@@H](Nc3ccc4nnc(Cl)n4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNKQZRQYTNBKMA-AOOOYVTPSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Oc3ccc4nnc(Cl)n4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGWCNZTUNKIIC-CALCHBBNSA-N", "SMILES:FC(F)(F)c1nccc(N[C@]23CC[C@](Nc4ccc5nnc(Cl)n5n4)(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDFATZDGUFFTP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nccc(N2CCC(CNc3ccc4nnc(Cl)n4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRJGIZJIIAGMLN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nccc(NCC2CCN(c3ccc4nnc(Cl)n4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWSJZDYIIOVNKU-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nccc(NC2CCN(c3ccc4nnc(Cl)n4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPTXJHYYTZLCG-BDAKNGLRSA-N", "SMILES:FC(F)(F)c1nccc(N[C@@H]2CC[C@H](Nc3ccc4nnc(Cl)n4n3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFALUDHCZKCURV-DTORHVGOSA-N", "SMILES:FC(F)(F)c1nccc(N[C@H]2C[C@@H](CNc3ccc4nnc(Cl)n4n3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNWYALOANYJAU-DTORHVGOSA-N", "SMILES:FC(F)(F)c1nccc(NC[C@H]2C[C@@H](Nc3ccc4nnc(Cl)n4n3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORQIWBVNONWPCN-PHIMTYICSA-N", "SMILES:Clc1nnc2ccc(N[C@H]3CC[C@@H](Nc4ccncn4)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPSXHAMJLQVIM-BETUJISGSA-N", "SMILES:FC(F)(F)c1cccc(N[C@H]2CC[C@@H](Nc3ccc4nnc(Cl)n4n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHIDRDWPQHCCM-PHIMTYICSA-N", "SMILES:COc1ncc(N[C@H]2CC[C@@H](Nc3ccc4nnc(Cl)n4n3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBUFTMNIGZDAG-PHIMTYICSA-N", "SMILES:FC(F)(F)c1cc(N[C@H]2CC[C@@H](Nc3ccc4nnc(Cl)n4n3)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQLYBTLOWYZEAG-UHFFFAOYSA-N", "SMILES:O=C(CNC1CC1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCCVBPPOOJZNS-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(Cl)cc1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVAPSGDEGXCRKI-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZUCJQAXWLRQW-UHFFFAOYSA-N", "SMILES:CCCNCC(=O)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCDPAYDRQBECA-UHFFFAOYSA-N", "SMILES:CCCCNCC(=O)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKHUUXDVIJVNZ-UHFFFAOYSA-N", "SMILES:CC(C)CNCC(=O)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHTXBMCDOARTQ-UHFFFAOYSA-N", "SMILES:O=C(CNC1CCCC1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWYJLAERONWML-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccccc1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWFPTOYMMYDJE-UHFFFAOYSA-N", "SMILES:COc1cccc(NCC(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(OC(F)(F)F)cc5)c4)no3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVBGPENLPOKABU-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(F)cc1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDOLTIGLRJBOP-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc(F)c1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYFQQWTSJMREK-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc(Cl)c1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOXUKECVDLFPIN-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(Br)cc1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHIIREMWPSHFRW-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc(F)c(F)c1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWBTYCXDYUNXIG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NCC(=O)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAZQLEDPCKBBFF-UHFFFAOYSA-N", "SMILES:Cc1cccc(NCC(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(OC(F)(F)F)cc5)c4)no3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMNTQGBWHRJPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCC(=O)Nc2ccc(-c3nc(-c4ccnc(Nc5ccc(OC(F)(F)F)cc5)c4)no3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFSPTCJOLBERPO-UHFFFAOYSA-N", "SMILES:O=C(CNCc1ccccc1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRMFKGRCSHRTJ-UHFFFAOYSA-N", "SMILES:O=C(CNCc1ccc(F)cc1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPTWFNDAAZWKO-UHFFFAOYSA-N", "SMILES:O=C(CNCc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUEZPWKOKPGZIV-UHFFFAOYSA-N", "SMILES:O=C(CNCc1cccc(F)c1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGFXKQPKBAVOW-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPDWMVMMXPSCNT-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQBLLZQOYYRSQ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPIGGPBGBVLAI-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWMNBSFUTUGMW-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWICCMDGCWIRR-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)Nc2ccccc2N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEFGAYDJCLDHQH-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)Nc2ccccc2N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRDOAZAXZZNAM-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)Nc2ccccc2N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHDWHDDODMVFM-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1Cc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJXIHVUJXWDALZ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1C12CC(CC(=O)Nc3ccccc3N)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKCJIWIZWSBRBA-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSFBTXFGJBGOLZ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKJVOQAEXQOUNA-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTAMGIWDCVLZAA-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKKNBZYECOLGO-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc2c(c1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGLCCFCTLCHUMF-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccccc3)cc2C1=Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTGSTAOKPHFTO-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc2c(c1)C(=Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXBOUHXKXCIPZ-ZQGJOIPISA-N", "SMILES:COc1ccc(Cc2cc3c(c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKIVDOSBYFYLU-SJSRKZJXSA-N", "SMILES:COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2C)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZQCRKNHJVTEBD-IFPLKCGESA-N", "SMILES:COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2F)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOBZXBFTKWEMJ-IFPLKCGESA-N", "SMILES:COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYWOPQSTGZVGOE-IFPLKCGESA-N", "SMILES:COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Br)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APGNBALCJRLEHA-KQDNOMNESA-N", "SMILES:COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)CCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGCWEWWVJMJRO-KQDNOMNESA-N", "SMILES:COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLIOZNHSFRBJY-SQKWCZRTSA-N", "SMILES:COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)CCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCYAKJOPMWCBU-SQKWCZRTSA-N", "SMILES:COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEUOMEGOBLAVOZ-UVPIGPOJSA-N", "SMILES:OC[C@H]1O[C@@H](c2cc(Cc3ccccc3)c(Cl)c3c2CCO3)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHWOCVUYZATWPC-KQDNOMNESA-N", "SMILES:Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTPYVQCNPFDMQI-SQKWCZRTSA-N", "SMILES:CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCIYUZFBWXOOKH-YVTYUBGGSA-N", "SMILES:CCCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVXJLRDBQFYLKE-YVTYUBGGSA-N", "SMILES:CC(C)c1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703921", "category": ["biolink:ChemicalEntity"], "name": "ENAVOGLIFLOZIN", "xref": ["InChIKey:KORCWPOBTZTAFI-YVTYUBGGSA-N", "SMILES:OC[C@H]1O[C@@H](c2cc(Cc3ccc(C4CC4)cc3)c(Cl)c3c2CCO3)[C@H](O)[C@@H](O)[C@@H]1O"], "synonym": ["Enavogliflozin", "Dwp16001", "Enavogliflozin", "DWP-16001", "ODP-9401", "ODP9401"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3654929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNVQOAZSNCRND-TXKDOCKMSA-N", "SMILES:OC[C@H]1O[C@@H](c2cc(Cc3ccc(C4CCCC4)cc3)c(Cl)c3c2CCO3)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNQLNDBYNDXAI-SQKWCZRTSA-N", "SMILES:CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3654892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTSAECWAEOLBGK-YVTYUBGGSA-N", "SMILES:CCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3703920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBWNAHPSILECEK-SQKWCZRTSA-N", "SMILES:C=Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JANOHAAHODFMQZ-RMKNXTFCSA-N", "SMILES:COc1cc2ccn(C/C=C/C(=O)Nc3ccccc3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYRMXHYDGZOQY-RMKNXTFCSA-N", "SMILES:COc1cc2ccn(C/C=C/C(=O)NCc3ccccc3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSDUBPHPZLGSB-RMKNXTFCSA-N", "SMILES:COc1cc2ccn(C/C=C/C(=O)NCCc3ccccc3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLXBPDLHPZMCS-YRNVUSSQSA-N", "SMILES:COc1cc2ccn(C/C=C/C(=O)NCCCc3ccccc3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZSZEDRWVBDRP-VOTSOKGWSA-N", "SMILES:CCCCNC(=O)/C=C/Cn1ccc2cc(OC)c(OC)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLDBMIBYBKUNPK-AATRIKPKSA-N", "SMILES:COc1cc2ccn(C/C=C/C(=O)NCCC(C)C)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYDDTLLBGAOIV-RMKNXTFCSA-N", "SMILES:COc1cc2ccn(C/C=C/C(=O)NC3CCCCC3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYSOQQQHUHRHC-UHFFFAOYSA-N", "SMILES:CC(C)CCNC(=O)Cn1ccc2ccc(Br)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBXXGYUJLDSIH-UHFFFAOYSA-N", "SMILES:O=C(CCn1ccccc1=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZQMLTKBWRSHHE-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCCCC(=O)NO)nc(NC3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIHAWFCPBDLPLR-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCCCCC(=O)NO)nc(NC3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXJFGYPFUEOCZ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCCCC(=O)NO)nc(NC3CCN(C(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOBAMCAMCSCFMK-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCCCCC(=O)NO)nc(NC3CCN(C(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHMEFBKSLGDIS-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(CCCCCC(=O)NO)CC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDSPSLJTTWLHQY-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCCCCC(=O)NO)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEYIEDVOXUHFM-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(CCCCCC(=O)NO)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRZGMVJAYULHIP-OUKQBFOZSA-N", "SMILES:COc1cc2nc(N3CCN(Cc4ccc(/C=C/C(=O)NO)cc4)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBTAYKPEYLOHDQ-OKUILHSMSA-N", "SMILES:C/C(=C\\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\\C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5175223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGXMRPQEVNSUFI-QGMBQPNBSA-N", "SMILES:CCCOc1ccc2c(c1)CCC(C)(CC/C=C(\\C)CCC(=O)OCC)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVPFIRSZVWEOG-ZVBGSRNCSA-N", "SMILES:CCCOc1ccc2c(c1)CCC(C)(CC/C=C(\\C)CCC(=O)Nc1ccccc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODAFZLAWFTYICK-ZVBGSRNCSA-N", "SMILES:CCOC(=O)CC/C(C)=C/CCC1(C)CCc2cc(OCc3ccccc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWFHUNLXQNBIL-YSURURNPSA-N", "SMILES:C/C(=C\\CCC1(C)CCc2cc(OCc3ccccc3)ccc2O1)CCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVDPHDZSMTFBQ-CUXIYPKESA-N", "SMILES:CCCOc1ccc2c(c1)CCC(C)(CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)C(=O)OCC)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDYJWLPQHZUEW-DSQNIEJZSA-N", "SMILES:CCCOc1ccc2c(c1)CCC(C)(CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)C(=O)Nc1ccccc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UERIJGWQSVFKMR-HGEIODPWSA-N", "SMILES:CCCOc1ccc2c(c1)CCC(C)(CC/C=C(\\C)CC/C=C(\\C)C(=O)OCC)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBWTXNDMWLIVES-BMNRKXRESA-N", "SMILES:C/C(=C\\CCC1(C)CCc2cc(OCc3ccccc3)ccc2O1)CC/C=C(\\C)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTFNSVNBUJDBU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3cccc(B(O)O)c3)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKKBYQIJFSNNDR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[nH]c3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFYYQJKMHDWMA-FNORWQNLSA-N", "SMILES:Cc1cc(/C=C/c2c(C)c3ccc(N)cc3n(C)c2=O)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXQSOZCBSHQAQ-VOTSOKGWSA-N", "SMILES:COc1cc2c(C)c(/C=C/c3cc(C)c(O)c(C)c3)c(=O)n(C)c2cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKRLMNCUPHCTF-BQYQJAHWSA-N", "SMILES:Cc1n[nH]c(C)c1/C=C/c1c(C)c2ccc(N)cc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDMZGDHIZTTGX-VOTSOKGWSA-N", "SMILES:COc1cc2c(C)c(/C=C/c3c(C)n[nH]c3C)c(=O)n(C)c2cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVQNQCIWCRXMX-UHFFFAOYSA-N", "SMILES:Cc1cc(CCc2c(C)c3ccc(N)cc3n(C)c2=O)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPQMULDMLQATTK-UHFFFAOYSA-N", "SMILES:COc1cc2c(C)c(CCc3cc(C)c(O)c(C)c3)c(=O)n(C)c2cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSSZFVTDFAACX-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1CCc1c(C)c2ccc(N)cc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPYFARPOKAQHI-FNORWQNLSA-N", "SMILES:Cc1cc(/C=C/c2c(C)c3ccc(O)cc3n(C)c2=O)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQRRAURAHRWBW-UHFFFAOYSA-N", "SMILES:Cc1cc(CCc2c(C)c3ccc(O)cc3n(C)c2=O)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNAXOXVMRWBOSY-YDLVXVFUSA-N", "SMILES:CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRFAVQCUBSYAIS-FRNUORRXSA-N", "SMILES:O=C(N[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHPZSCSFNDIFCZ-IFJBLKETSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJCPWHQOXLNSHQ-MMAVNDQVSA-N", "SMILES:O=C(CCc1ccccc1)N[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRFAVQCUBSYAIS-WUCHXUMNSA-N", "SMILES:O=C(N[C@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHPZSCSFNDIFCZ-NCPANSIKSA-N", "SMILES:O=C(Cc1ccccc1)N[C@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJCPWHQOXLNSHQ-ONAGSAGBSA-N", "SMILES:O=C(CCc1ccccc1)N[C@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZDFNXWWDYUQI-IFJBLKETSA-N", "SMILES:CN(C(=O)c1ccccc1)[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCDPGHGVBKHDSF-MMAVNDQVSA-N", "SMILES:CN(C(=O)Cc1ccccc1)[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHLUCGJGEKUBEX-LPOYZYTQSA-N", "SMILES:CN(C(=O)CCc1ccccc1)[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43184", "category": ["biolink:ChemicalEntity"], "name": "AMINACRINE", "xref": ["InChIKey:XJGFWWJLMVZSIG-UHFFFAOYSA-N", "SMILES:Nc1c2ccccc2nc2ccccc12"], "synonym": ["Aminoacridine", "Aminoacridine", "Aminoacridine", "Aminoacridina", "9-aminoacridine", "NSC-13000"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL298398", "category": ["biolink:ChemicalEntity"], "name": "ANTHRAFLAVICACID", "xref": ["InChIKey:APAJFZPFBHMFQR-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL55761", "category": ["biolink:ChemicalEntity"], "name": "ANTHRARUFIN", "xref": ["InChIKey:JPICKYUTICNNNJ-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(O)c2C(=O)c2cccc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL124440", "category": ["biolink:ChemicalEntity"], "name": "ANTHRONE", "xref": ["InChIKey:RJGDLRCDCYRQOQ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2Cc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL179617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLVUAAESHIVAZ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2cnccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2180144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPXINCHFOLVVSG-UHFFFAOYSA-N", "SMILES:Clc1c2ccccc2nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMLKCXXMHXJSE-UHFFFAOYSA-N", "SMILES:COC1=CC2Sc3ccc(Cl)cc3NC2C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLYLULIVKWRKE-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)NC1C=CC=CC1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322655", "category": ["biolink:ChemicalEntity"], "name": "CINNABARINIC ACID", "xref": ["InChIKey:FSBKJYLVDRVPTK-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)O)c2nc3c(C(=O)O)cccc3oc-2cc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL89626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRMDXTVKVHKWEK-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1N)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL86771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMQNRKSAWNXBT-UHFFFAOYSA-N", "SMILES:Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEFJMRLDXHSXEP-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(ccc4ccccc43)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRMYMMIJXLMBB-UHFFFAOYSA-N", "SMILES:OC1c2ccccc2Oc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4740697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXBUYALKJGBACG-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2Sc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5203113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARVYLKNIVAHDY-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1ccc1c(=O)c3ccccc3[nH]c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL17594", "category": ["biolink:ChemicalEntity"], "name": "QUINIZARIN", "xref": ["InChIKey:GUEIZVNYDFNHJU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5173101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUPVWHAWBGRHV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)C(=O)C1=C(C2)C(=O)CC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486760", "category": ["biolink:ChemicalEntity"], "name": "XANTHENE", "xref": ["InChIKey:GJCOSYZMQJWQCA-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Cc1ccccc1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4303547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZCNASHHHSKTGP-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZIQMIAREGGHFQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)C1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBODBJMAVPEPIF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHHPAIPLLVZZFS-UHFFFAOYSA-N", "SMILES:CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFQXWQTCMHWQI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJEOTHSAASZFKG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2cccc(Nc3ccccc3)c2)ccn1)C1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQUPCVRAPXQKR-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cccc(-c2ccnc(NC(=O)C3CCOC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPWKGOTTNWZJM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2ccnc(NC(=O)C3CCOC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBBWYYNHDAMAU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2ccnc(NC(=O)C3CCOC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYWVQWQBQZFIC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPRZUWYPXHLIPW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGDCYXAMTWRRD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(C)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNDSJPDAZUCQB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCN(C)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONCLOFYUTKIUIE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccc(F)cc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEAKSVDSAHEHPK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2cccc(F)c2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVKXVJIVVNQSPK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccccc2F)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKPJKAAGFZRLBJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccc(OC)cc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMXAMDVQZWTORW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccn(C)n2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGAKRFOZYPAZKV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(NC2CCOCC2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJZOKJDRVXPLAM-UHFFFAOYSA-N", "SMILES:NC(=O)CNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUGCUTKZAGWRQX-UHFFFAOYSA-N", "SMILES:O=C(NCC1OCCO1)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSWZFDZKGMKLM-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNKQYVFZLPBNI-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHAAFSSESZUGE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccc(F)cc2)cc(-c2cc(NC(=O)C3CCOCC3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLSQEJUYKLXLJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Nc2ccc(F)cc2)cc(-c2cc(NC(=O)C3CCOCC3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQSYHGIQJMSSF-UHFFFAOYSA-N", "SMILES:O=C(CO)Nc1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDAJVZNANJQUOT-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZWTWRHTPWUIF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPBWJYDLTCMFGG-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCLKICSVWGPXTL-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APODBSSKQRJPHY-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cc(Nc3ccccc3)cc(-c3ccnc(NC(=O)C4CCOCC4)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEISXBXYVVKDDA-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEFHHSKKIGJEIM-UHFFFAOYSA-N", "SMILES:c1ccc(C2=NC(c3ccccc3)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOWIBKTZDWHKN-UHFFFAOYSA-N", "SMILES:CN1c2ccc(Cl)cc2C(c2ccccc2)=NC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJUCFNYZGHTSN-UHFFFAOYSA-N", "SMILES:CN1c2ccc(Cl)cc2C(c2ccccc2)=NC1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKVVDYBQBDUPJK-UHFFFAOYSA-N", "SMILES:CN1c2ccc(Cl)cc2C(c2ccccc2)=NC1c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTMROVIXUHQFDL-UHFFFAOYSA-N", "SMILES:Brc1ccc(C2=NC(c3ccc(Br)cc3)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTOWZZLSAOMVNT-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(C2N=C(c3ccccc3)c3cc(Cl)ccc3N2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRRBXGSNHRUKCR-UHFFFAOYSA-N", "SMILES:Fc1ccccc1C1=NC(c2ccco2)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPFJRDWFSPZFQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2N=C(c3ccccc3)c3ccccc3N2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVZJBSVIOIQXES-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cccc(F)c2c1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADZKHDKMWRSJX-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)Nc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1703831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSOOITRATZAWMN-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHTXVOZTSTVUID-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCNQKMHHZNPJGL-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMTOIYDAAGLNOG-UHFFFAOYSA-N", "SMILES:CCNC(=O)Cn1sc2cc(F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWYGPXZAFHCYIH-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNZYPBOZKMGBM-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEBVAUSHDQINRQ-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJUPKBEYMLIAQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)Cn1sc2cc(F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKBALTXXKFZZQJ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2sc3cc(F)ccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCQWBQTYIHPKFS-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cn2sc3cc(F)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNHZLRIQZGEWAC-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cn2sc3cc(F)ccc3c2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSWGSHVFIJOMJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)Cn2sc3cc(F)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCOKSTXMZWWQE-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWWZSDXXYRDBDT-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCAITOMIOKBOGD-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1532997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQRIPHXCTXOQC-UHFFFAOYSA-N", "SMILES:O=c1[nH]sc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNAYWZHLSNURMD-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Cn1sc2cc(F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKJKRUDZYEREI-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1sc2cc(F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHOCOQCEODTIF-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCKNRKTYFTRRF-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(F)ccc2c1=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILRVWLNMGUFCNJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)n1sc2cc(F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFGDOVUEQTCBH-UHFFFAOYSA-N", "SMILES:CC(=O)NCn1sc2cc(F)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFGYZOGYBLHAQA-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(F)cc2sn1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1709906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCAUOKFPSQKCAA-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKRQQYWUYPSGG-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2ccc(F)cc2c1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQWFPLHHDJUBH-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2c(F)cccc2c1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRGWIGRBPZQBIY-UHFFFAOYSA-N", "SMILES:COc1cccc2sn(CC(=O)Nc3ccccc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXXYGZELYPSTJ-UHFFFAOYSA-N", "SMILES:COc1ccc2sn(CC(=O)Nc3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXYRYZBQYGSDDJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)n(CC(=O)Nc3ccccc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVGRQLQPFCNPP-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cccc(C(F)(F)F)c2c1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESGVCRNTSNGEG-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2ccc(C(F)(F)F)cc2c1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUZABZFJTUKQHD-UHFFFAOYSA-N", "SMILES:O=C(Cn1sc2cc(C(F)(F)F)ccc2c1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRJNUVURXPOJZ-UHFFFAOYSA-N", "SMILES:Nc1cccc2sn(CC(=O)Nc3ccccc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWBKBUYAXKUMU-UHFFFAOYSA-N", "SMILES:Nc1ccc2sn(CC(=O)Nc3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWUQOKKZLORGIB-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(=O)n(CC(=O)Nc3ccccc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGQDOEQQAVXZIJ-UHFFFAOYSA-N", "SMILES:Nc1cccc2c(=O)n(CC(=O)Nc3ccccc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCOBQUKCPDSHPB-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEIMODXPKPYLDQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVUEKVUGINUJP-UHFFFAOYSA-N", "SMILES:CNC1CCN(C(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTCQMOKELTTDL-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAIEVYTIKHMGW-IBGZPJMESA-N", "SMILES:O=C(N[C@H]1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAIEVYTIKHMGW-LJQANCHMSA-N", "SMILES:O=C(N[C@@H]1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWAWLXYDFVEIE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(N3CCCC3c3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSRGKDNWGDDLR-UHFFFAOYSA-N", "SMILES:Fc1cccc(CNc2nc(Nc3ccccc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCBBAOLLHZXNON-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(F)c1)c1nc(Nc2ccccc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSIUGHGANJVKIH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQLITBBCCUBMU-UHFFFAOYSA-N", "SMILES:CC(C)OCc1ccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPGWPCOOPQLDW-UHFFFAOYSA-N", "SMILES:O=C1COCCN1c1ccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUCLYWZGDIFPS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOBGDCABFDGXDZ-UHFFFAOYSA-N", "SMILES:Fc1cccc(CNc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFJOOXWQNJNLZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPGSZBSLWDMOLE-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPRFCBRQFAWQC-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXMGOZHXSCMHN-UHFFFAOYSA-N", "SMILES:CCOCc1ccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTLRNXYOSDCPE-UHFFFAOYSA-N", "SMILES:OCc1ccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTRPEQEIVBTBB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVMRYWOMXRVZON-UHFFFAOYSA-N", "SMILES:Fc1cccc(CNc2nc(Nc3cccc(N4CCOCC4)c3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDDLFXJALTIIN-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLLSNWGVTKKPDG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWXALPIXSHYFAD-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHYAAGRKMMEUPJ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUXDQSBCWCKMN-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHZGDAJOAQDREU-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FATJNAGDTXXWKN-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGOXLFRPCFJRC-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWQEFFHNJGXRV-UHFFFAOYSA-N", "SMILES:CN1CCCN(C(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCUUGHYOKVYDFF-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1)N1CCCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYVVULXRKMKDHV-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJSADLDBZLJLPN-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFFJMAIDFUBQRQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKIYRWGIDCUTHE-MRXNPFEDSA-N", "SMILES:C[C@@H]1CCCN(C(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKIYRWGIDCUTHE-INIZCTEOSA-N", "SMILES:C[C@H]1CCCN(C(=O)c2cccc(Nc3ncc(Cl)c(NCc4cccc(F)c4)n3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQKGFYZTFZFQK-LJQANCHMSA-N", "SMILES:O=C(N[C@@H]1CCCNC1)c1cccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQKGFYZTFZFQK-IBGZPJMESA-N", "SMILES:O=C(N[C@H]1CCCNC1)c1cccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQKGFYZTFZFQK-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFONCXPZRIAORQ-LJQANCHMSA-N", "SMILES:O=C(N[C@@H]1CCCNC1)c1cccc(Nc2ncc(C(F)(F)F)c(NCc3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFONCXPZRIAORQ-IBGZPJMESA-N", "SMILES:O=C(N[C@H]1CCCNC1)c1cccc(Nc2ncc(C(F)(F)F)c(NCc3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFONCXPZRIAORQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(C(F)(F)F)c(NCc3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXBONSXTWWSBOJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3ccccc3F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWQFMLCNXHPSCG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXXUTKIEEMAKQM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBWJKKKOWMCVFJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3ccc(F)cc3F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRGDQWSHDHHER-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3cc(F)ccc3F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZGXDZMMBYQTII-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3c(F)cccc3F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXSUGHKCGBAIDE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3ccc(F)c(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYAREZCEVCGBNC-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3cc(F)cc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGXJGXDKILQHF-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(NCc3cc(F)c(F)c(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYLKVOEIIDIEJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(N3CCCC3c3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUJYABBQAPZNMJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(N3CCCC3c3cc(F)cc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTCUYRJTBHWHY-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Cl)c(N3CCCC3c3cc(F)c(F)c(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSQRZGVVGWNFAP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(F)c(NCc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZNWDIDIGMFBN-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc(Br)c(NCc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPBJXAAAPIUOJP-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cccc(C(=O)NC3CCCNC3)c2)nc1NCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZFWCDSKSCNQNO-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2ncc([N+](=O)[O-])c(NCc3cccc(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDVKUAJJKGAMY-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2nc(NCc3cccc(F)c3)c3sccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIWQXHJVSAOSKA-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2nc(NCc3cccc(F)c3)c3ccsc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLPUSRLEJCJRAL-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(NCc3cccc(F)c3)nc(Nc3cccc(C(=O)NC4CCCNC4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQHFFNWSEUNKEA-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2nc(NCc3cccc(F)c3)c3cc[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHGANYIVZZRQAA-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCNC1)c1cccc(Nc2nc(NCc3cccc(F)c3)c3[nH]ccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZMJJGJCOWLNQ-HEVIKAOCSA-N", "SMILES:O=C1C=C(c2ccc(O)cc2)[C@]2(O1)O[C@]1(OC(=O)C=C1c1ccc(O)cc1)C(c1ccc(O)cc1)=C2c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5191921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBSBPUSOKOQRLK-HEVIKAOCSA-N", "SMILES:O=C1C=C(c2cc(Br)c(O)c(Br)c2)[C@]2(O1)O[C@]1(OC(=O)C=C1c1cc(Br)c(O)c(Br)c1)C(c1cc(Br)c(O)c(Br)c1)=C2c1cc(Br)c(O)c(Br)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5192113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTCUZJULQDLKM-HEVIKAOCSA-N", "SMILES:O=C1C=C(c2cc(Br)c(O)c(Br)c2)[C@]2(O1)O[C@]1(OC(=O)C=C1c1cc(Br)c(O)c(Br)c1)C(c1ccc(O)c(Br)c1)=C2c1ccc(O)c(Br)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5198884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKUCTMIWRAYOTN-HEVIKAOCSA-N", "SMILES:O=C1C=C(c2ccc(O)cc2)[C@]2(O1)O[C@]1(OC(=O)C=C1c1ccc(O)c(Br)c1)C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKCNGDBOISZQI-HEVIKAOCSA-N", "SMILES:O=C1C=C(c2ccc(O)cc2)[C@]2(O1)O[C@]1(OC(=O)C=C1c1ccc(O)cc1)C(c1ccc(O)c(Br)c1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFJWAFKZTXBKC-HEVIKAOCSA-N", "SMILES:O=C1C=C(c2cc(Br)c(O)c(Br)c2)[C@]2(O1)O[C@]1(OC(=O)C=C1c1ccc(O)cc1)C(c1ccc(O)c(Br)c1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKZJSKDYFRMEQD-HEVIKAOCSA-N", "SMILES:O=C1C=C(c2cc(Br)c(O)c(Br)c2)[C@]2(O1)O[C@]1(OC(=O)C=C1c1cc(Br)c(O)c(Br)c1)C(c1ccc(O)c(Br)c1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWHZBOUBCKDAO-HEVIKAOCSA-N", "SMILES:O=C1C=C(c2ccc(O)c(Br)c2)[C@]2(O1)O[C@]1(OC(=O)C=C1c1ccc(O)c(Br)c1)C(c1ccc(O)c(Br)c1)=C2c1ccc(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZMJJGJCOWLNQ-AQOUDTPCSA-N", "SMILES:O=C1C=C(c2ccc(O)cc2)[C@]2(O1)O[C@@]1(OC(=O)C=C1c1ccc(O)cc1)C(c1ccc(O)cc1)=C2c1ccc(O)cc1"], "chembl_natural_product": true}
{"name": "Alpha-synuclein", "xref": ["CHEMBL.TARGET:CHEMBL5169100"], "id": "UniProtKB:O55042", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVRVABPNVHYXRT-BQWXUCBYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWXMWFCYVZNBY-ZRZAMGCNSA-N", "SMILES:C[C@@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXXACWCGCOROBD-NRFANRHFSA-N", "SMILES:C[C@H]1CN(Cc2ccc(-c3cccnc3N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSRJNPUCQNDPRR-PTLVVNQVSA-N", "SMILES:C[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccc(F)cc4)CC3)cc2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXFKSEBZTOEPSP-SSPYTLHUSA-N", "SMILES:Cc1cc(CN2CCN[C@@H](C)C2)ccc1N(C)C(=O)[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJHNTJDKWVLGHO-WATLYSKOSA-N", "SMILES:Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)cc3)CC2)ccc1CN1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTJJPPAQCSUVSS-YDHSSHFGSA-N", "SMILES:C[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccc(F)cc4)CC3)cc2Cl)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZRXOYNBQPXSS-LSNLESRRSA-N", "SMILES:Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)cc3)CC2)ccc1CN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGXQGOFLAXSAJQ-CVJWPJSTSA-N", "SMILES:CC[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccc(F)cc4)CC3)cc2C)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVYLBRKKSWSEE-SKPFHBQLSA-N", "SMILES:Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)cn3)CC2)ccc1CN1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBINNMRINZALX-KJOQGJGQSA-N", "SMILES:CC[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccnc(C#N)c4)CC3)cc2C)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVUPJBVKKACQB-KJOQGJGQSA-N", "SMILES:Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CO)c3)CC2)ccc1CN1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPDFHVBUYJCXID-WATLYSKOSA-N", "SMILES:Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)c(CO)c3)CC2)ccc1CN1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOYGTZVNGBHQOX-DPPGTGKWSA-N", "SMILES:Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cc(CO)ccc3C)CC2)ccc1CN1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APUHSFRBOLQWNH-WATLYSKOSA-N", "SMILES:Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(Cl)c(CO)c3)CC2)ccc1CN1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXQUICNSDSXOG-RMDSEJHCSA-N", "SMILES:CCOCc1cccc(N[C@H]2CC[C@H](C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)c(C)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XACOFZQZNDCQBY-DPPGTGKWSA-N", "SMILES:Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CCO)c3)CC2)ccc1CN1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJSQLBBIUNNJAB-AGJHTDJMSA-N", "SMILES:Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CC(C)(C)O)c3)CC2)ccc1CN1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNZQIZYYDGBZSR-MIUCGUHXSA-N", "SMILES:Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CC(=O)NC(C)C)c3)CC2)ccc1CN1CCN[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBGPYDVGHRUWRI-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(C#CS(N)(=O)=O)c1"]}
{"name": "Coronin-1A", "xref": ["CHEMBL.TARGET:CHEMBL5169128"], "id": "UniProtKB:P31146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDSLLPAGXXPBA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)nc(N)c1nc(CC(C)C)n(CC(C)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGORXRZAOFDNFH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)nc(N)c1nc(CC3CC3)n(CC(C)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWVGWUPXNPCQRM-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2c(N)nc3ccccc3c2n1CC(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEKSPIRUDHIGU-UHFFFAOYSA-N", "SMILES:CC(O)Cn1c(CC2CC2)nc2c(N)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFCGUSOZWDSLY-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHSKTOKADIHOU-UHFFFAOYSA-N", "SMILES:NCc1ccc(Cn2c(CC3CC3)nc3c(N)nc4ccccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLDNOUHDDANJBL-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)nc(N)c1nc(CC(C)C)n(Cc3ccc(CN)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMCCECEBUFEKI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)nc(N)c1nc(CC3CC3)n(Cc3ccc(CN)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIBNGABJNFFAI-HTRCEHHLSA-N", "SMILES:N#C[C@H]1C[C@H]1c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYKGKLKIQVGOS-MRXNPFEDSA-N", "SMILES:CCN(Cc1ccc(C(=O)N2CCC[C@@H]2C#N)s1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMGDUIAVSFGGH-PSASIEDQSA-N", "SMILES:N#C[C@H]1C[C@H]1c1c(Cl)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSTVGXQHSJGDS-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc2c(=O)n(CCC#N)ccc2s1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCCZJCOIRVYXNF-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc2c(=O)n(CCC#N)ccn2n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXBRTSDDJMGJR-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc2c(=O)n(CCC#N)cc(F)n2n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBOOUALJMWGCA-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc2cc(C)n(CCC#N)c(=O)c2s1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMAHJSVBFSLTPC-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc2c(=O)n(CCC#N)cc(C)n2n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZPZLBPJFAJOPA-UHFFFAOYSA-N", "SMILES:Cc1cn(CCC#N)c(=O)c2cc(Cn3nc(C(F)(F)F)cc3Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOJWLOJPFCINOY-DHDCSXOGSA-N", "SMILES:NC1=NC(=O)/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMZMFQSCRVRMSU-YWEYNIOJSA-N", "SMILES:NC1=NC(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1416796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXWMVHIKQNFFL-YVMONPNESA-N", "SMILES:NC1=NC(=O)/C(=C/c2cccc(F)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSEMSLCACOUIRO-SXGWCWSVSA-N", "SMILES:COc1ccc(/C=C2\\SC(N)=NC2=O)cc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQJUMHWNSXXKJ-GXDHUFHOSA-N", "SMILES:NC1=NC(=O)/C(=C\\c2ccc(Oc3ccccc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKGGZXYDWORFB-NTEUORMPSA-N", "SMILES:NC1=NC(=O)/C(=C\\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZXJWDIYIURXNY-ZROIWOOFSA-N", "SMILES:NC1=NC(=O)/C(=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPSUIFLMGOCKPM-YBEGLDIGSA-N", "SMILES:CCOc1cc(/C=C2\\SC(N)=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTLLQWPIMUEHA-PXNMLYILSA-N", "SMILES:CCOc1cc(/C=C2\\SC(N)=NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOJGFFPJUXLMI-GHXNOFRVSA-N", "SMILES:COC(=O)c1cc(/C=C2\\SC(NC(C)=O)=NC2=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAIHVYMCLRIOV-POHAHGRESA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)NC2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHRWHQSKSNJTBR-VQHVLOKHSA-N", "SMILES:Cc1c(Cl)ccc2c1NC(=O)/C2=C1/SC(N)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHTPEJPIBOUTEX-UHFFFAOYSA-N", "SMILES:NCC1CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSEKOUCHDKFTQZ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(-c3ccc(C#N)cc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJAYZEDPSKBFNU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncc(N3CCC(C)(N)CC3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKPGZAXDWOJZBH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(-c3cccc(F)c3F)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIBLTRYNBYYKB-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCC(O)CC2)cnc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDUZNOIXIZAJD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXGNCKYCWSYMP-UHFFFAOYSA-N", "SMILES:CC1(O)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVHGLWVVDJGBM-UHFFFAOYSA-N", "SMILES:NCC1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHXYBBWMZBKLLM-UHFFFAOYSA-N", "SMILES:NCCC1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSEROHOEMZNGLU-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCNCC2)cnc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWYZVUKLCBUJFC-UHFFFAOYSA-N", "SMILES:CN(CCN)c1cnc(-c2cccc(Cl)c2Cl)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBUGKPLRNYLQPI-UHFFFAOYSA-N", "SMILES:CNC1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMCBQFZOKXEMG-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCC(N)CC2)cnc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEHHHNQWYHYAZ-QMMMGPOBSA-N", "SMILES:Nc1nc(N2CC[C@H](N)C2)cnc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHMMOJLAHFKBH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(Cl)c3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZXWATFDWVSOGN-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3ccc(Cl)cc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNIMWWORHHZSV-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFGWNHSGNTYMMG-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3ccccc3F)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIBMPBKGTGARFM-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3ccccc3Br)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSEHOEBXBRQWEZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Sc1ncc(N2CCC(C)(N)CC2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTWQHDKZSKDATE-UHFFFAOYSA-N", "SMILES:COc1ccccc1Sc1ncc(N2CCC(C)(N)CC2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXCFZQRLROSRX-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3ccccc3C(F)(F)F)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCENDXXXUQGIRT-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(SCc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAAGFTOSIKKRAK-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(SCc3ccccc3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVXNNCUCIGNYBG-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc4ccccc34)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVZMZXDVSZIKT-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3ccc4ccccc4c3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHWLAOORWXMBP-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(SC3CCCCC3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUPFUYPXLMTMT-KPZWWZAWSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3nc4[nH]nc(-c5ccnc(NC6CC6)c5Cl)c4c(=O)n3C)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHZIDHAIVAHMD-SMDDNHRTSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3nc(N)c(Sc4cccnc4C(F)(F)F)c(=O)n3C)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZFMMKNXNCUEMU-GXDHUFHOSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUUYLALYOVRWNR-UHFFFAOYSA-N", "SMILES:C=CCSc1nc2nc(C)cc(Nc3ccc4c(C)cc(=O)oc4c3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPGJMZGLFTZMCT-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc(C2CC(=O)c3c(O)cc(OC(=O)N(CC)CC)cc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNWDCQYJQCVXHS-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(C2CC(=O)c3c(O)cc(OC(=O)N(C)CC)cc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODMAPYZVYSQENJ-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)Oc1ccc(C2CC(=O)c3c(O)cc(OC(=O)N(C)OC)cc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYJZTOYKJAHJFE-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNAXFXDUDLZDQ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(OC(=O)N3CCOCC3)cc2)Oc2cc(OC(=O)N3CCOCC3)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIWADZQTBYOIFS-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(OC(=O)N3CCCC3)cc2)Oc2cc(OC(=O)N3CCCC3)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBHZJCYTFRRLBA-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(-c2coc3cc(OC(=O)N(C)CC)cc(O)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCLHCZYIIDGCQA-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)Oc1ccc(-c2coc3cc(OC(=O)N(C)OC)cc(O)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVEYRABGVSOBBY-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Oc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIGQDHXPZZVVIP-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(C2CC(=O)c3c(OC(=O)N(C)CC)cc(OC(=O)N(C)CC)cc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICEXDQILSSZUKG-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(-c2coc3cc(OC(=O)N(C)CC)cc(OC(=O)N(C)CC)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMAUNNHWYUDVKV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1nc(COc2ccc(CCCCn3ccnn3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGWUGQFHDRPHIO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1nc(COc2ccc(CCCCn3ccnn3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFJIEVANFXJFD-LEVDAJMHSA-N", "SMILES:CC/C=C\\C/C=C\\CCC(=O)O[C@@]12[C@H](OC(=O)[C@@H](C)CC)[C@@H](C)[C@@]3(O)[C@@H](C(=O)C(CO)=C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4560295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYNUZZXUSLTSQM-UHFFFAOYSA-N", "SMILES:COc1nsc2c1C(=O)c1c(O)cccc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4530872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITRKIWBJVJRAM-UHFFFAOYSA-N", "SMILES:O=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPOJBBDCSJWSW-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCN(Cc3ccccc3C(F)(F)F)C(=O)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJXHOYVJEHPJED-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3c(cnn3Cc3ccccc3C(F)(F)F)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRRRLIXSJSDSS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3ncn(Cc4ccccc4C(F)(F)F)c3C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIOJZZZIXOUEJ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3c(ncnc3Oc3ccccc3C(F)(F)F)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZYUOGSCSKBPLV-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3c(ncnc3Oc3ccccc3Cl)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKWXXSCGFKKITJ-UHFFFAOYSA-N", "SMILES:CCc1ccccc1Oc1ncnc2c1CCN(C1=C(Cl)C(=O)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMWAITNJZLJFHO-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3c(ncnc3Oc3c(F)cccc3C(F)(F)F)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCZQLQZPYCOVIK-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3c(ncnc3Oc3ccc(F)cc3C(F)(F)F)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWHBAHCYJCLAH-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3c(ncnc3Oc3ccc(Cl)cc3C(F)(F)F)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUZVRYQHEQHYFA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)ccc1Oc1ncnc2c1CCN(C1=C(Cl)C(=O)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEQSISLDHFVWBL-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3c(ncnc3Oc3ccc(F)cc3Cl)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPJHLQYAEGONTJ-UHFFFAOYSA-N", "SMILES:C#Cc1cc(F)ccc1Oc1ncnc2c1CCN(C1=C(Cl)C(=O)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLDQVCZCCBVAJ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3c(ncnc3Oc3ccc(F)cc3CC(F)(F)F)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTRJPHGIBGDBL-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3c(ncnc3Oc3ccc(F)cc3C3CC3)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPATUHNUTTZBBN-UHFFFAOYSA-N", "SMILES:Cc1nc2c(c(Oc3ccc(F)cc3C(F)(F)F)n1)CCN(C1=C(Cl)C(=O)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHURSKBCYNPSTA-UHFFFAOYSA-N", "SMILES:CCc1nc2c(c(Oc3ccc(F)cc3C(F)(F)F)n1)CCN(C1=C(Cl)C(=O)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPDTBWBSJYOIF-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(N2CCc3c(nc(C4CC4)nc3Oc3ccc(F)cc3C(F)(F)F)C2)=C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANOQCJEBRGYPS-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(Nc2ncc3ccc(=O)n(C(C)C)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOWMGFHACPEJCJ-KRWDZBQOSA-N", "SMILES:COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUVUAJAFLBHLV-SFHVURJKSA-N", "SMILES:COc1ccc(CN2CCC[C@H](OCc3cccc(F)c3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVZGHUHVSUPCAA-INIZCTEOSA-N", "SMILES:COc1ccc(CN2CCC[C@H](OCc3ccc(F)c(F)c3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICPGMOKBHQFRK-SFHVURJKSA-N", "SMILES:COc1ccc(CN2CCC[C@H](OCc3ccc(F)c(C)c3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICPGMOKBHQFRK-GOSISDBHSA-N", "SMILES:COc1ccc(CN2CCC[C@@H](OCc3ccc(F)c(C)c3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGDPBRUTRCRWFD-IBGZPJMESA-N", "SMILES:COc1ccc(CN2CCC[C@H](OCc3ccc(C)cc3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOHLOYKENOCAJW-IBGZPJMESA-N", "SMILES:COc1ccc(CN2CCC[C@H](OCc3ccccc3C)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMKLTJRVTOAKBR-SFHVURJKSA-N", "SMILES:COc1ccc(CN2CCC[C@H](OCc3cccc(C)n3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUPTUEPITWFDIS-IBGZPJMESA-N", "SMILES:Fc1cccc(CO[C@H]2CCCN(Cc3cn4ccccc4n3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDQUPBFUFYPDR-KRWDZBQOSA-N", "SMILES:Fc1ccc(CO[C@H]2CCCN(Cc3cn4ccccc4n3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRNCCCAMDWHOK-IBGZPJMESA-N", "SMILES:Cc1cc(CO[C@H]2CCCN(Cc3cn4ccccc4n3)C2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUVCBUBBFJYMBE-FQEVSTJZSA-N", "SMILES:Cc1ccccc1CO[C@H]1CCCN(Cc2cn3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIVTHZDRRRWRB-IBGZPJMESA-N", "SMILES:FC(F)(F)Oc1cccc(CO[C@H]2CCCN(Cc3cn4ccccc4n3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSAONUTGOPTOF-SFHVURJKSA-N", "SMILES:Fc1cccc(CO[C@H]2CCCN(Cc3ncn4ccccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSKYGLYKZWIIPN-INIZCTEOSA-N", "SMILES:Fc1ccc(CO[C@H]2CCCN(Cc3ncn4ccccc34)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSHKTSOSHCZGR-SFHVURJKSA-N", "SMILES:Cc1cc(CO[C@H]2CCCN(Cc3ncn4ccccc34)C2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSVBMZEXVBOKL-FQEVSTJZSA-N", "SMILES:Cc1cccc(CO[C@H]2CCCN(Cc3cc4ccc(Cl)cc4[nH]3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGGUAJNIXSHON-SFHVURJKSA-N", "SMILES:Cc1ccc(CO[C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZBZJPCFRFDCX-NRFANRHFSA-N", "SMILES:Cc1ccc(CO[C@H]2CCCN(Cc3ccc(C#N)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFIUGGMRSVGNHY-FQEVSTJZSA-N", "SMILES:Cc1ccc(CN2CCC[C@H](OCc3ccc(F)c(C)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGZGKKEXFETAO-UHFFFAOYSA-N", "SMILES:Fc1cccc(COC2CCN(Cc3cn4ccccc4n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGJYTQPOMPWSQ-UHFFFAOYSA-N", "SMILES:Fc1ccc(COC2CCN(Cc3cn4ccccc4n3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCBKRGDPGXQWHV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(COC2CCN(Cc3cn4ccccc4n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGAULWTOQJMMN-UHFFFAOYSA-N", "SMILES:Fc1cc(COC2CCN(Cc3cn4ccccc4n3)CC2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUMBSOUAZGHFML-UHFFFAOYSA-N", "SMILES:Fc1cc(COC2CCN(Cc3ncc4ccccn34)CC2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPIRBSAJDVEMX-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(COC2CCN(Cc3ncc4ccccn34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDBUQOCOAGNPB-UHFFFAOYSA-N", "SMILES:Fc1ccc(COC2CCN(Cc3ncc4ccccn34)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSCQSUWEFAICMJ-UHFFFAOYSA-N", "SMILES:Fc1cccc(COC2CCN(Cc3ncn4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGSLTDGENGQJF-UHFFFAOYSA-N", "SMILES:Cc1nc(CN2CCC(OCc3cccc(C(F)(F)F)c3)CC2)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYOVLIQCWOMBGM-UHFFFAOYSA-N", "SMILES:Cc1nc(CN2CCC(OCc3ccc(Cl)c(F)c3)CC2)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHQZOZDZUGUJC-UHFFFAOYSA-N", "SMILES:Cc1nc(CN2CCC(OCc3ccc(F)c(F)c3)CC2)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGIHILWHEUNSHI-UHFFFAOYSA-N", "SMILES:Fc1cc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFPRVZQGLGSZKO-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMWYMABDXNLKFE-UHFFFAOYSA-N", "SMILES:Fc1ccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLHWQBSZFONAR-UHFFFAOYSA-N", "SMILES:Cn1cnc2cc(CN3CCC(OCc4cccc(C(F)(F)F)c4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNJKVOPEIQLTOA-UHFFFAOYSA-N", "SMILES:Cn1cnc2cc(CN3CCC(OCc4ccc(F)c(F)c4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDXXZJLQCWTWNI-UHFFFAOYSA-N", "SMILES:Fc1ccc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNNBFYNDLVVGH-UHFFFAOYSA-N", "SMILES:Fc1cc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWIJXNRUNDGWHS-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTCBVXFDQGRSDA-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(CN3CCC(OCc4ccc(F)c(F)c4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJJVXHVUGIXFK-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(CN3CCC(OCc4ccc(Cl)c(F)c4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHUVGUKPFGRNQ-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(CN3CCC(OCc4cccc(C(F)(F)F)c4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXJPFHGKCBUSS-UHFFFAOYSA-N", "SMILES:Fc1cc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLWHRXREOAJGY-UHFFFAOYSA-N", "SMILES:Fc1ccc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYVZHLRDFXTFC-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXHYXFTYHKKMBV-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1NC(=O)CN1CCC(OCc2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQUFNTHIVYHWCM-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1NC(=O)CN1CCC(OCc2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXSHWRWEVGDSGN-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1NC(=O)CN1CCC(OCc2ccc(Cl)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMDOBTILJRLEOG-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)CN2CCC(OCc3ccc(F)c(F)c3)CC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZTCJLAUHGFMIF-IBGZPJMESA-N", "SMILES:FC(F)(F)Oc1cccc(CO[C@H]2CCCN(Cc3ncc4ccccn34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVIVNYCLBJXFCC-SFHVURJKSA-N", "SMILES:Cc1ccccc1CO[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVORZZWUTRKVFA-IBGZPJMESA-N", "SMILES:COc1ccc(CO[C@H]2CCCN(Cc3cccc(C)c3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTXSRHRIHFJJHY-SFHVURJKSA-N", "SMILES:Fc1cccc(CO[C@H]2CCCN(Cc3ccc(Cl)cc3F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWYXYTMAVRWJEU-UHFFFAOYSA-N", "SMILES:Cn1cnc2cc(CN3CCC(OCc4ccc(Cl)c(F)c4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLPZBFOUCUVOY-SFHVURJKSA-N", "SMILES:Fc1cccc(CO[C@H]2CCCN(c3ccc(Cl)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQFAHGOYBMWSP-SFHVURJKSA-N", "SMILES:Cc1cc(CO[C@H]2CCCN(c3ccc(Cl)cc3)C2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLMHCXOABOKQI-UHFFFAOYSA-N", "SMILES:CCCCCCCc1cc(=O)c2cc(OC)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZUDJUDKEKRKKL-UHFFFAOYSA-N", "SMILES:CCCCCCCc1cc(=O)c2cc(F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKRBUCFXWCSEI-UHFFFAOYSA-N", "SMILES:CCCCCCCc1cc(=O)c2cc(C(C)(C)C)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWRYEBIUSXZEDO-WJOKGBTCSA-N", "SMILES:COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXQMGEVGHJPGDH-BHTPUMDESA-N", "SMILES:COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CO)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBIQVZXTUBILW-HKWZHHDHSA-N", "SMILES:COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQSDHNDIKTEJD-XLAQBFAFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEOOLDLJXYEALJ-UHFFFAOYSA-N", "SMILES:CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFQFKFKWKWIEW-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMODZIUQQKLRO-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHDSFBYPKPJCU-ATXDNFKHSA-N", "SMILES:CCCCCc1cccc(OC)c1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)NC/C=C(\\Cl)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHDSFBYPKPJCU-YDIAHMPBSA-N", "SMILES:CCCCCc1cccc(OC)c1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)NC/C=C(/Cl)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXVHFMULICVHY-FDDLUDOBSA-N", "SMILES:CCCCCc1cccc(OC)c1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)NC/C=C(\\Cl)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXVHFMULICVHY-LUODYMKXSA-N", "SMILES:CCCCCc1cccc(OC)c1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)NC/C=C(/Cl)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCTXXVLJZQBQP-MITZVXJMSA-N", "SMILES:CCCCCc1cccc(OC)c1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)NC/C=C(\\Cl)C(=O)OC)[C@@H](C)CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5198742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCTXXVLJZQBQP-WNFKXCOPSA-N", "SMILES:CCCCCc1cccc(OC)c1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)NC/C=C(/Cl)C(=O)OC)[C@@H](C)CC"], "chembl_natural_product": true}
{"name": "Sialidase-2", "xref": ["CHEMBL.TARGET:CHEMBL3200"], "id": "UniProtKB:Q9Y3R4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLOYDWMIOMMPCV-NCJYIMSCSA-N", "SMILES:[N-]=[N+]=NCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O"]}
{"name": "Sialidase-1", "xref": ["CHEMBL.TARGET:CHEMBL2726"], "id": "UniProtKB:Q99519", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sialidase-4", "xref": ["CHEMBL.TARGET:CHEMBL4174"], "id": "UniProtKB:Q8WWR8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGFMAMZJCDOSQ-HFTJKPBSSA-N", "SMILES:CCCCC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDBZBDBFJBQOS-NCJYIMSCSA-N", "SMILES:[N-]=[N+]=NCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CN=[N+]=[N-])OC(C(=O)O)=C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOBCLUJEPFNFNV-NRFQWKTPSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)Cn2cc(CCO)nn2)OC(C(=O)O)=C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVQLAGHMGMPSS-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJNANMGIAFOWHF-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(CCCN2CCN(c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLXXFOMEUTAEL-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCN3CCN(c4ncccc4C#N)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMUCTWAVRKDCJA-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN2CCN(c3ncccc3C#N)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOOKBSINOPLQS-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN2CCN(C(=O)c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKARFTYXCIJDS-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCN(CCCN2CCN(c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOCOYMYTCFJGMV-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCN3CCN(C(=O)c4ccccc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMJEVKDYIICJQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCN(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMJMAIPPNDZPFH-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCN2CCN(C(=O)c3ccccn3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDUMZFBUNOKXMQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccn1)N1CCN(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKODNYJFALMYIC-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCN2CCN(c3ncccc3C#N)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSQVRCEVBDIDO-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDFSBKOWQSCWPJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCN2CCN(C(=O)c3nn(C)c4ccccc34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPALBYLTRZDOII-UHFFFAOYSA-N", "SMILES:Cn1nc(C(=O)N2CCN(CCN3CCN(c4cccc(Cl)c4Cl)CC3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRBIMACSDAOMGX-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)c2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLAEFHZBRUVDC-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYUUBBTIYYNJQ-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPZUJWHJYTWEE-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(OCCCCN3CCN(C(=O)c4ccccn4)CC3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHNGYYGFQBDIS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ncccc3cc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUCOYUJMKYDNIZ-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2ccccc2n1)N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQUPRWGMQYINPZ-VZRYQZALSA-N", "SMILES:Cc1cc(O)cc(C)c1CC(N)C(=O)NC(C)C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWPAKFHAYCXAX-UHFFFAOYSA-N", "SMILES:O=C(O)CC1CCC2(CC1)CCC(c1ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKTPNXWLDUSRAW-UHFFFAOYSA-N", "SMILES:O=C(O)CC1CCC2(CC1)CCC(c1ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOFGTUXJGBWWCZ-UHFFFAOYSA-N", "SMILES:O=C(O)CC1CCC2(CC1)CCN(c1ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUTLXSJPJBJARC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2CCC3(CC2)CC(C(=O)O)C3)cc1)c1nnc(Nc2ccc(F)c(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUOQXGJJZVFPTI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCC3(CC2)CC(C(=O)O)C3)nc1)c1nnc(Nc2ccc(F)c(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHMNMXGMDBYOP-UHFFFAOYSA-N", "SMILES:O=C(O)CC1CCC2(CC1)CCC(NC(=O)c1nnc(Nc3ccc(F)c(F)c3)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPNZNFLFCTLFN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWRFIUJXJEXQK-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCVRHYNREMZRDT-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2cc(O)c(O)c(CO)c2)oc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZEONOGFXYTZGT-WEVVVXLNSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFCSAPFHAXMSF-UXBLZVDNSA-N", "SMILES:Cc1cc(NC(=O)c2cccc(NC(=O)/C=C/CN(C)C)c2)ccc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGSTZPBQKGLOJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFRXAAWSVLQGDR-FNORWQNLSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(=O)/C=C/CN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYMQRVJYZKVBE-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(=O)NCCCCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1)C(=O)CNC(=O)C1COc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHKVJMUPCKDKOP-QGZVFWFLSA-N", "SMILES:N#CCc1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccnc(N[C@@H]3CCN(C(=O)C4CC4)C3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATSSYNKRCFJAY-UHFFFAOYSA-N", "SMILES:CSc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRXUFERDKQBCLY-UHFFFAOYSA-N", "SMILES:O=C(CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPQFXORGMUHXNL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)Nc2ccc(Nc3cc(-c4c(C)nc(SC)n4C)ccn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGICVDGDWJJCIH-HNNXBMFYSA-N", "SMILES:NC(=O)N1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFRLDZGQEZCCJZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cnc(Sc2nnc(O)n2-c2ccc3c(c2)OCCO3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWZDJYSVBMQJT-UHFFFAOYSA-N", "SMILES:COCCNc1nnc(Sc2ncc([N+](=O)[O-])s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBNIKGLJQLAUBP-BVZDOOJKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTUBAXJNDJURIY-DEGFCSBOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431525", "category": ["biolink:ChemicalEntity"], "name": "BETUNOLIC ACID", "xref": ["InChIKey:SLJTWDNVZKIDAU-SVAFSPIFSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5185215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWTACGWTTZICOC-KUWYHPFGSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)N6CCNCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODYZKWZGTUWKT-WVRTZRCQSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHWOBJLYGHLCFO-WVRTZRCQSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)NC(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCBLTWNSIBERN-JTRCCZFSSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)NCCO)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWSYSKDQWQIXIA-KTQFYHDFSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)N6CCCCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPARSHRXHULRI-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCQDVZYXINPDT-UHFFFAOYSA-N", "SMILES:Cn1ccc2ccc(C(=O)N3CCC4(CC3)CCN(Cc3ccccc3)C4=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZLYLUDDONQYEY-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1ccccc1F)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVAVSVJDWISIE-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1cc(F)ccc1F)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYIETLOZOCUQV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc[nH]c2c1)N1CCC2(CC1)CCN(Cc1cc(F)ccc1F)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATBYSZORSKSPZ-UHFFFAOYSA-N", "SMILES:Cn1ccc2ccc(C(=O)N3CCC4(CC3)CCN(Cc3cc(F)ccc3F)C4=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVTDBSHZWRTJGV-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)N=CN(Cc1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDKVOXNYAGXNO-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(C=NN(Cc3ccccc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STJULRYSHHELNZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYLCTBFFZMCLNT-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1cccc(Cl)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZCFROKYFSHBF-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEYIKSXXBBQSM-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(CC1CCCCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLQSIDLXGYROA-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(CC1CCCC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNGZHWTHOUIIC-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSAWSNZUJPQOD-UHFFFAOYSA-N", "SMILES:O=C1N(Cc2ccccc2)CCC12CCN(c1ncccn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYLCLILVRFCQFH-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNJLTGROWTVLE-UHFFFAOYSA-N", "SMILES:O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHSAWHKFIJMMMT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHIKBVGBGMGWSZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc[nH]c2c1)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVQLDCIRSCHSLQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1cccc(F)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZQBNLVBQJGBBP-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1ccc(F)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWFSKVWCYZXMJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1c(F)cccc1F)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXITYUDEEUBNLZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CC1)CCN(Cc1cc(F)cc(F)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSYDANYADIWBT-UHFFFAOYSA-N", "SMILES:O=C1NCCOc2cc(F)ccc2CN2CCOc3cn4ncc1c4nc32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVAVXRPBSNVGC-UHFFFAOYSA-N", "SMILES:O=C1NCCOc2cc(F)ccc2CN2CCCOC3=Cn4ncc1c4NC32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZOZXZULMJSKFW-NSHDSACASA-N", "SMILES:C[C@H]1COc2cn3ncc4c3nc2N1Cc1ccc(F)cc1OCCNC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFXJGJRTQNGJC-NSHDSACASA-N", "SMILES:C[C@H]1CN2Cc3ccc(F)cc3OCCNC(=O)c3cnn4cc(c2nc34)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFXJGJRTQNGJC-LLVKDONJSA-N", "SMILES:C[C@@H]1CN2Cc3ccc(F)cc3OCCNC(=O)c3cnn4cc(c2nc34)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZOZXZULMJSKFW-LLVKDONJSA-N", "SMILES:C[C@@H]1COc2cn3ncc4c3nc2N1Cc1ccc(F)cc1OCCNC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVZHMKRPZRVEDD-UHFFFAOYSA-N", "SMILES:CC1(C)COc2cc(F)ccc2CN2CCOc3cn4ncc(c4nc32)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIJVFYUUAELBN-GFCCVEGCSA-N", "SMILES:C[C@@H]1COc2cn3ncc4c3nc2N1Cc1ccc(F)cc1OCC(C)(C)NC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSWCAJJDBEWNU-UHFFFAOYSA-N", "SMILES:CC1(C)COc2cc(F)ccc2CN2CCCOC3=Cn4ncc(c4NC32)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRSOLZCLWVUTL-NEPJUHHUSA-N", "SMILES:C[C@@H]1COc2cn3ncc4c3nc2N1Cc1ccc(F)cc1O[C@@H](C)CNC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRSOLZCLWVUTL-VXGBXAGGSA-N", "SMILES:C[C@@H]1CNC(=O)c2cnn3cc4c(nc23)N(Cc2ccc(F)cc2O1)[C@H](C)CO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYNYNVLWBANPG-OLZOCXBDSA-N", "SMILES:C[C@@H]1COc2cn3ncc4c3nc2N1Cc1ccccc1O[C@@H](C)CNC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNFHULLZCYEMOL-NEPJUHHUSA-N", "SMILES:C[C@@H]1COc2cn3ncc4c3nc2N1Cc1ccc(Cl)cc1O[C@@H](C)CNC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KADUACHHWZCSKV-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(F)cc2OCCNC(=O)c2cnn3cc(F)c1nc23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELJPPAJWMCQEP-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(F)cc2OCC(C)(C)NC(=O)c2cnn3cc(F)c1nc23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAOCRUUELSAOE-NUJGCVRESA-N", "SMILES:COc1ccc2ccc(=O)n(CCN[C@@H]3CC[C@@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAOCRUUELSAOE-XYJFISCASA-N", "SMILES:COc1ccc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAOCRUUELSAOE-JFIYKMOQSA-N", "SMILES:COc1ccc2ccc(=O)n(CCN[C@@H]3CC[C@@H]4[C@@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAOCRUUELSAOE-BQFCYCMXSA-N", "SMILES:COc1ccc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIRZGVLRPNLDU-VHFSOBRXSA-N", "SMILES:COc1cnc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVUVYQWGQSXVRH-QRTARXTBSA-N", "SMILES:COc1ccc2ncc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLNBLYAHAMTCBA-QRTARXTBSA-N", "SMILES:COc1cnc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWDCVIJLQIDCBY-ULQDDVLXSA-N", "SMILES:COc1ccc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CS4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCLOYSRLPFAHY-IEZWGBDMSA-N", "SMILES:N#Cc1cnc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CS4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXXERXLOKOADL-KNBMTAEXSA-N", "SMILES:O=C1COc2ccc(N3C(=O)O[C@H]4C[C@@H](NCCCn5c(=O)cnc6ccc(F)cc65)CC[C@@H]43)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFTMKXPVVROZLB-IPJJNNNSSA-N", "SMILES:N#Cc1ccc2ccc(=O)n(CCCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYTHLOPWMHLKKF-RDJZCZTQSA-N", "SMILES:COc1ccc2ccc(=O)n(CCN3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYTHLOPWMHLKKF-WBVHZDCISA-N", "SMILES:COc1ccc2ccc(=O)n(CCN3CC[C@@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRKAALUQSDOJX-MDKPJZGXSA-N", "SMILES:COc1ccc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAJNPQQEWNOQM-BXWFABGCSA-N", "SMILES:COc1cc2c(ccc(=O)n2CCN[C@H]2CC[C@H]3[C@H](C2)OC(=O)N3c2ccc3c(n2)NC(=O)CO3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQIINMWGIOXADX-CUWPLCDZSA-N", "SMILES:N#Cc1ccc2c(ccc(=O)n2CCN[C@H]2CC[C@H]3[C@H](C2)OC(=O)N3c2ccc3c(n2)NC(=O)CO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGYVHQJSPFQCJ-LNLFQRSKSA-N", "SMILES:COc1ccc2ccc(=O)n(CCCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNWGHNNOTRTXOM-WFXMLNOXSA-N", "SMILES:N#Cc1ccc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYEDXRXIOADMKF-GPCJMOEFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJCFYRWIGIUNI-KQFASMHKSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYSLTFUCVTLKC-KMMJXFMGSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUKZWONRCAQCTA-PYISVRNKSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWPVZVACCVTLLE-PYISVRNKSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPWSEYCGYZOHT-VPZKMCAASA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIXDEQIKTJSBSA-VPZKMCAASA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLGMOBLDKFAEO-STMSITDASA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVMLPDUAGUTOC-MOXRTSAFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULUGQONDYDNKY-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cn1cc(-c2ccc(-c3cncc4ccccc34)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYGXNURPHQSPG-MUUNZHRXSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C4(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNXAQINDCOHGS-CBINBANVSA-N", "SMILES:Nc1nc(N[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBYHLPRZRMTJO-FLVSMNSFSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FONRCZUZCHXWBD-VGOFMYFVSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1409113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSYBDNXNOJIKML-UHFFFAOYSA-N", "SMILES:CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQCIOOSELPMBB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3656841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWQVQSXLXAXOPJ-NJDAHSKKSA-N", "SMILES:COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJKTXWSMMWPNTP-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3ccc(-c4csc5c(=O)cc(N6CCOCC6)oc45)cc3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZPYSAHDRSBARR-QPJJXVBHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIIVYFLTOXDAOV-PXAZEXFGSA-N", "SMILES:CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H](O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL334881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMOIDYHHPHGHBT-MEDUHNTESA-N", "SMILES:CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(Sc4ccccc4Cl)oc23)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCKWQKDFLCMFNR-OYKVQYDMSA-N", "SMILES:CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(C3CCCC[C@H]3CCO)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199065", "category": ["biolink:ChemicalEntity"], "name": "ISTISOCICLIB", "xref": ["InChIKey:VYKCLMALANGCDF-STQMWFEESA-N", "SMILES:CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1"], "synonym": ["Istisociclib", "Istisociclib", "Istisociclib", "Kb-0742", "KB-00130742", "KB-0742", "KB-130742", "KB0742", "UB-18422", "Istisociclib"]}
{"name": "Cyclin-dependent kinase 5", "xref": ["CHEMBL.TARGET:CHEMBL5169144"], "id": "UniProtKB:Q02399", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDLXPJQFNVTNL-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWWVFYHSSOWZMF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC2CCCCC2)C(c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJNYBYSTCRPAO-LXBQGUBHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464946", "category": ["biolink:ChemicalEntity"], "name": "ANTILLATOXIN", "xref": ["InChIKey:WNMROEVYEZDXEL-OITYILOZSA-N", "SMILES:C=C1CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)NCC(=O)O[C@@H](/C(C)=C/C(C)=C/C(C)(C)C)[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5194372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLXAYOXMPQUZEL-UHFFFAOYSA-N", "SMILES:CC1COCCN1c1nc(-c2c[nH]c3ccccc23)nc2c1CN(S(=O)(=O)C(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWGDYKCKTOIGEY-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(-c2cc(Oc3ccccc3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIAIIUDTNVHPK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2cc(-c3cc(F)cc(F)c3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSLECSJSRKRPV-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CN(C)CCCC(=O)NO)c(F)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQCNIGSFMZAAF-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CN(C)CCCCC(=O)NO)c(F)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSRIYMGPCMRJBW-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CNCCCCCC(=O)NO)c(F)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUCRNNAFMQPIED-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CNCCCCCCC(=O)NO)c(F)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOXAXIWAGSLHBX-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN(C)CCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQJPZYUBQRKOO-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN(C)CCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSEOSYUQEQHFPO-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWHRMDIXMQBLHY-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWYLSZIOPQVTMX-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CNCCCCCC(=O)NO)c(OCc3cccc(C#N)c3)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSWGNOJFLALFM-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CNCCCCCCC(=O)NO)c(OCc3cccc(C#N)c3)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSHFHBWUJFKAED-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CNCCCCCC(=O)NO)c(F)c2)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUCMWBVKVBFBU-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CNCCCCCCC(=O)NO)c(F)c2)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHOQKZAIDITCS-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccc4c(c3)OCCO4)c2C)cc(OC)c1CNCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIJORMUROXRUCH-UHFFFAOYSA-N", "SMILES:COC1=CC(OCc2cccc(-c3ccc4c(c3)OCCO4)c2C)=CC(OC)C1CNCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNEDQAWTOMOVLK-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CNCCC(=O)NO)c(F)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQCCVGNLDJDQFM-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CNCCC(=O)NO)c(OCc3cccc(C#N)c3)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEKWZFVXOLQEJH-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CN(C)CCCC(=O)NO)c(OCc3cccc(C#N)c3)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVIVDEKKHMYZGF-UHFFFAOYSA-N", "SMILES:Cc1c(COc2ccc(CN(C)CCCCC(=O)NO)c(OCc3cccc(C#N)c3)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFFGUGWWBZZWNO-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CC3CCN(c4ncnc5cc(OC)c(OC)cc45)C3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKDBVFUGMDQFGQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5ccc(Cl)cc5)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEIPMDKQHMZMTE-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5ccccc5O)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITEOZYPWUUMVMI-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCc5ccccc5C4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPHZYZUENEXFU-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(Cc4cnc5ccccc5n4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNOROJGCNCXGL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cccc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVHMLPIQFOBSEP-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5ccccc5)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDQQYHJJGUOOIV-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5ccccc5OC)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMRRGHPKRKHGL-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5cccc(Cl)c5)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFBAQLBLLIFNB-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5cccc(C(F)(F)F)c5)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMUOGNLGRYKDL-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5ccc(O)cc5)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJDBRWCAOUNJV-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5cccc(Cl)c5Cl)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAFLNVHJDUAFEQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUABZNQUXURVFF-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5ccccn5)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLNXDUBKAUVCSG-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CN4CCN(c5ncccn5)CC4)C3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSCCUTDBKDKZDN-UHFFFAOYSA-N", "SMILES:C1=CC2N=CC(CN3CCN(c4cccc5cn[nH]c45)CC3)=NC2C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXICUZJFSXLALO-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cccc(N3CCN(Cc4ccc5ccccc5n4)CC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLFKAHBQKICHZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cccc(N3CCN(Cc4cnc5ccccc5n4)CC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRSWVRGKPFTBH-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)CC(N1CCN(C)CC1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXJKWYKORAOIFE-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2C(=O)COC23C=CC(=O)C=C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAXZYFCMHHCIBX-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)n2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJYURYWSGJNWRR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3nnc(CCCCC(=O)NO)o3)cc3c2[nH]c2ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUSRMXKKWPTTH-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDIQPSDECZDFN-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUXUCTKVMICEJZ-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBSJHGWZDXJNNU-LBPRGKRZSA-N", "SMILES:N[C@H]1CCCN(c2nc(Nc3cccc(Cl)c3)nc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBSJHGWZDXJNNU-GFCCVEGCSA-N", "SMILES:N[C@@H]1CCCN(c2nc(Nc3cccc(Cl)c3)nc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLQQZSGCYBOSS-BETUJISGSA-N", "SMILES:N[C@H]1CC[C@@H](Nc2nc(Nc3cccc(Cl)c3)nc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLQQZSGCYBOSS-JOCQHMNTSA-N", "SMILES:N[C@H]1CC[C@H](Nc2nc(Nc3cccc(Cl)c3)nc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSJQROISOSHTBB-UHFFFAOYSA-N", "SMILES:COc1nc(NCCc2c[nH]c3ccccc23)nc(Nc2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297467", "category": ["biolink:ChemicalEntity"], "name": "PADNARSERTIB", "xref": ["InChIKey:MRFOPLWJZULAQD-SWGQDTFXSA-N", "SMILES:Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(-c4ccc(F)cc4)c3o2)cn1"], "synonym": ["Padnarsertib", "Padnarsertib", "Padnarsertib", "Kpt 9274", "Kpt-9274", "Padnarsertib", "Pak4-in-1", "KPT-9274"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACIGHNYQFSSHFC-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIPZWEDYQISNOU-UHFFFAOYSA-N", "SMILES:OCC(O)CNc1nc(Nc2ccccc2)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSGJYNUXQQBIZ-UHFFFAOYSA-N", "SMILES:OCCNc1nc(Nc2ccccc2)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZPQRXPYRYBISU-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nc(N3CCOCC3)c3cc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMOBZCFGZGJOG-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nc(N3CCNCC3)c3cc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUCUYUCKWCSCV-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVGFEQISEKDJGM-UHFFFAOYSA-N", "SMILES:NCC1CCCN(c2nc(Nc3cccc(Cl)c3)nc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJKXPTXIXJNQIM-UHFFFAOYSA-N", "SMILES:COCCNc1nc2ccc(C#CC3(O)CCCCC3)cc2n1-c1ncnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKPWTCGLMXCSJV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)C(=O)CC1(CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUYPTJYSVBXGS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCARAHSFOQWJP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRMSLRNSBLMRCT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPNHAFJRMFKIY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTSDVMIJUJBRJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)CC2NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUYPQWLQOXNZBY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)SC1(CCOCC1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFBQEDIXSODTLT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSMRBBKXSFUJFX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOCC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCUIXPHFINGXHS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)NC1(CCOCC1)NS2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMYHNYGECYDBFK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N(O)C1(CCOCC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDZHCWSYKPZRP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)NC1(CCOCC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCXPEPAUFPZLRZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc2c(c1)OC1(CCOCC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIYOZQBJDPYUIA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCSCC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIWNZBMTVWCQLJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCNCC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKBSCUVDSYARJP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCS(=O)(=O)CC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHOCRWSAZSRBN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCCOC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTVKHPVPLKIIA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(CCOC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLCKJMOFQLTACK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)OC1(COC1)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL126079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMBWREPUVVBILR-GHTZIAJQSA-N", "SMILES:O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5190113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCVCLIJNKVROW-CTNGQTDRSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQCEOVSTCMASU-CTNGQTDRSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQTQZIQILCLLDB-IERDGZPVSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJONSYFOVDKINV-UTKZUKDTSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5179721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIDKGAVZHWYFI-ASSNKEHSSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1c(F)c(O)c(O)c(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQENYJJVFTVMML-CTNGQTDRSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHUSIPYYYGNTQD-KNQAVFIVSA-N", "SMILES:Cc1c(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@H]2c2cc(O)c(O)c(O)c2)ccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPMIWQZEVFNGCT-NQIIRXRSSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBPCGUNXGPYKKV-CTNGQTDRSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGHQWZVWXGEAT-CTNGQTDRSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)cc1F)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFXHOFFEEPQHSY-IERDGZPVSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1F)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIHYCFUEGQYDSC-SZNDQCEHSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1F)c1cc(O)c(O)c(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFJVUAHAIGMSJ-UTKZUKDTSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)cc1F)c1cc(O)c(O)c(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJAOACOCIDFJJC-GCJKJVERSA-N", "SMILES:Cc1c([C@@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYRTDPKMSDGFC-UTKZUKDTSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRGYLZQOFUEQLO-NQIIRXRSSA-N", "SMILES:O=C(O[C@@H]1Cc2ccccc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AERRQWVEIKSWPF-NQIIRXRSSA-N", "SMILES:O=C(O[C@@H]1Cc2c(O)cccc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIOEYZEWSYXGQ-MGPUTAFESA-N", "SMILES:O=C(O[C@@H]1Cc2ccccc2C[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJHAAZDURGGSC-CTNGQTDRSA-N", "SMILES:COc1c(O)cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@H]2c2cc(O)c(O)c(O)c2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUWDJQZPQKPAA-CTNGQTDRSA-N", "SMILES:COc1c(O)cc([C@@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5169932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCFXSZDDQIPZIB-YBEGLDIGSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C\\c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQHCEEIJRIFWQB-YBEGLDIGSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C\\c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APZISZYJCCWFPT-BOPFTXTBSA-N", "SMILES:COc1ccc(/C=N\\NC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXUDTCTDAGEHY-YVLHZVERSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C\\c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNKLXCANDYHLS-YVLHZVERSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C\\c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFAOHZNOSWFED-YVLHZVERSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C\\c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULBNSKKTDUCEC-NVMNQCDNSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C\\c2cccc(Cl)c2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCMWUQIUORSDHO-NVMNQCDNSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C\\c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHKDGLGFTAHYTQ-NVMNQCDNSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C\\c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPLGXIYIOKOFAS-PDGQHHTCSA-N", "SMILES:C/C(=N/NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCOCDJLIFAVGC-WQRHYEAKSA-N", "SMILES:C/C(=N/NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REKIODKOQCJODO-ODLFYWEKSA-N", "SMILES:C/C(=N/NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEWMUHPVXSHMZ-ODLFYWEKSA-N", "SMILES:C/C(=N/NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLFYXKIWOJCHF-ODLFYWEKSA-N", "SMILES:C/C(=N/NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEBNBNJHKCTJBR-JMIUGGIZSA-N", "SMILES:C/C(=N/NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGIQHUJMPASCZ-WQRHYEAKSA-N", "SMILES:C/C(=N/NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAAVFIUWWDCBOY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)NN=C(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIRPNACOHREJBM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C2/C(=O)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLYDERXUBNSSSP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C2/C(=O)Nc3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIIORGUXSENFJ-HEHNFIMWSA-N", "SMILES:C=CCN1C(=O)/C(=N/NC(=O)Nc2ccc(S(C)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNAZHGNCQVAQQ-OQKWZONESA-N", "SMILES:C=CCN1C(=O)/C(=N/NC(=O)Nc2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJQFIMBGJBMGNP-HEHNFIMWSA-N", "SMILES:C#CCN1C(=O)/C(=N/NC(=O)Nc2ccc(S(C)(=O)=O)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJDSQKEAOVATR-OQKWZONESA-N", "SMILES:C#CCN1C(=O)/C(=N/NC(=O)Nc2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQCCECWXORCAL-WJDWOHSUSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)N/N=C\\c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVAHFKRLGMYLRC-YVLHZVERSA-N", "SMILES:COc1cc(/C=N\\NC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZRGBLQSVPQDG-UHFFFAOYSA-N", "SMILES:O=C1Nc2cc(Cl)ccc2/C1=N\\NC(=O)c1c(O)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQPLVJIEOJFAE-UHFFFAOYSA-N", "SMILES:CN(C)C(=N)NCCS(=O)(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5192047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWADQIEAQTMON-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(NC(=O)C#Cc2ccccc2)cc1CNC(=O)c1ccc(-c2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUGDZZXOUKSJY-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C#Cc2ccccc2)cc1CNC(=O)c1ccc(N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTRKMUHRJJERKK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJDDZEHHBDDDSU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)cc(CC)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOSGZLTZSCDSU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)cc(C3CC3)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFSGFVQORZFIN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZBRDQHSFANGJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFRBQBDELJFSTK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OCC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANBTPJXZDWCDL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC(C)C)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKPSHIUYADZRMC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZGCOXWEMWFFH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4ccc(C5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPANFAZWDTAJD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4ccc(N(C)CCN(C)C)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIFVBRFONSARI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4ccccc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAQWADYTCVHNNZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4cnn(C)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJJDVHINLNCBC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4cnn(CCOC)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLWKPGFWTXLPQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4cnn(CCO)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGFDCXJJWGWFM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4cnn(C5CCN(C)CC5)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOWCVPFOPDCWRU-XVNBXDOJSA-N", "SMILES:C/C=C/C(=O)Nc1cccc(Cn2c(=O)ccc3cnc(Nc4ccccc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSVBFGDIGZJJY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Cn2c(=O)ccc3cnc(Nc4ccccc4OC)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLBRIGJMXYFOK-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRUHHEOIABNVGE-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(NS(=O)(=O)c3ccc4ncsc4c3)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNAMIHVSPWGLAX-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(NS(=O)(=O)c3cc(F)cc(F)c3F)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRBRRKSNFUGAP-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(NS(=O)(=O)CCCc3ccccc3)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROWDZCFZCZQWTQ-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(NC(=O)CCCc3ccccc3)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCCZLDSNOJPFRK-UHFFFAOYSA-N", "SMILES:CCC(C)(C)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJQPONQVWJZQKP-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATXAPTXWFAFONY-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXHNDHWFYISEE-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTOXYMUBSLYMT-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(NS(=O)(=O)c3ccc(N)cc3)ccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTFADOAPUZYTK-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFWWQHYYPZHSV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEEKZZXTAGFTNI-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc2N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWVPELJABOFBH-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(S(=O)(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLYWKRREIDSNCV-UHFFFAOYSA-N", "SMILES:COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CN(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDJSRMSZJNJFC-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2[nH]c(=O)n(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWXXUSLTICNDAY-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2[nH]c(=O)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YADPXZXRUNAGEN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTBBZNNLYWUCX-NTEUORMPSA-N", "SMILES:CC/C(=N\\N=C(\\N)S)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKPBBJJLUBSAV-VZUCSPMQSA-N", "SMILES:NC(=S)N/N=C/c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMVGKAWQTXZISA-UUILKARUSA-N", "SMILES:N/C(S)=N/N=C/c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOUDFBGIMTWDEF-WUXMJOGZSA-N", "SMILES:C/C(=N\\NC(N)=S)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYQLQVFJXFMJD-WLRTZDKTSA-N", "SMILES:C/C(=N\\N=C(\\N)S)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXZVONSOWGFJC-IZZDOVSWSA-N", "SMILES:C/C(=N\\NC(N)=S)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSFGISBKYIAEAI-KPKJPENVSA-N", "SMILES:COc1cccc(/C(C)=N/N=C(/N)S)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQZWQBDFKXQEG-FMIVXFBMSA-N", "SMILES:CC/C(=N\\NC(N)=S)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKISLULTIRJOZ-UKTHLTGXSA-N", "SMILES:CC/C(=N\\N=C(\\N)S)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJHYZVLIJGURQS-AQRCPPRCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJIFCEKRNNRBMK-CEIPDFQMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](CCSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUWMQVRIRHDOH-JDQHVGNYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHDPTUIKMSTOI-AODXPARNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSSCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXBFFBVMKDRQKI-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(Cl)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXFAJJHXVQBGRK-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(OC)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYNDFPZFVBSKEP-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(OCCOC)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDMXYPPWFJAKG-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(N(C)C)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXAFSYXDNOTPHO-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQXDEBHIPISOT-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAOMWMXCAUOKMV-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYSGYGHBPXRIN-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2C(=O)Nc2ccc(Oc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAFCEMVSFWTDTF-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2C(=O)Nc2ccc(Oc3ccc(C(=O)O)cn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCYBHPNSLOMEAD-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2C(=O)Nc2ccc(OCc3ccc(C(=O)O)cn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUYKHTGXUSQSJP-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)NS(C)(=O)=O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPSNCWUCGSBGKX-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)NS(=O)(=O)NC)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSUYGMMOBQOMZ-NZLVZKABSA-N", "SMILES:CCN([C@H]1CC[C@H](C(=O)O)CC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)NS(=O)(=O)NC)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAMFPEKDJVOEJW-GGEMBVPQSA-N", "SMILES:CCN([C@H]1CC[C@H](C(=O)O)CC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUINWSGIYLNEDN-XNTYCKKASA-N", "SMILES:CCN([C@H]1CC[C@H](C(=O)NS(=O)(=O)NC)CC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFSMBFUQHZWJY-FTDVSRLBSA-N", "SMILES:CCN([C@H]1CC[C@H](C(=O)NCCOCCOCCOCCO)CC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2C(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKIBEZKVFMRRKQ-UHFFFAOYSA-N", "SMILES:CCC(CC)N(CCN(C)C(=O)CCC(=O)O)Cc1cccc(C(=O)Nc2[nH]c3c(c2C(=O)Nc2ccc(CCc4ccc(C(=O)O)cc4)cc2)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKSGYDVOZDGUJN-CYBMUJFWSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDPKTJQZZDXGQX-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc(C#N)cc4)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFTHVUNVJPTVDI-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc(C#N)c(Cl)c4)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBCJFIPZKHXYMH-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc(C#N)c(F)c4)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEITPYWHCOTGH-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc(F)c(C#N)c4)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZAQJGODKWJXTA-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4cnc5ccccc5c4)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKKZCDHRTSBFJC-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc5ncccc5c4)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMKGCWWBLIIGIL-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc5ccccc5c4)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKARZLFOGJFNX-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc5scnc5c4)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJORAUKABUCAG-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4cc(C(C)(C)C)no4)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEKRZYOLHWYJC-STQMWFEESA-N", "SMILES:C=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWGLCAOXFXZTIW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLPUEEMFKWXMLH-CQSZACIVSA-N", "SMILES:C=C(C)C(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLVSLSXENNLJE-GFCCVEGCSA-N", "SMILES:C=C(F)C(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXPJZVZBEOYHAJ-GFCCVEGCSA-N", "SMILES:C=C(C(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)[C@H](C)C1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVXVZHSZWMMNIS-CYBMUJFWSA-N", "SMILES:C#CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KODHVQPSTKBSHG-MRXNPFEDSA-N", "SMILES:C=C(F)C(=O)N1CCN(C(=O)Oc2cc3c(Nc4cnc5ccccc5c4)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVJKRQLWXPDDA-STQMWFEESA-N", "SMILES:C=C(F)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTAPQNGVRKNPQ-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCN(C(=O)Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLANHMFXPXFNQR-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(C3=NCCCN3)cc2)cc1NC(=O)Nc1ccc(C2=NCCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1982584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMWYACTRNTCIE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTBUHZVIHZHRV-UHFFFAOYSA-N", "SMILES:O=C(C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWYUNPTVJZEDL-NRFANRHFSA-N", "SMILES:Cc1ccc(Cc2c(C)nc3c(C(=O)N4CCN(c5ccc(C)cc5)[C@@H](C)C4)cnn3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQHMTJZDXSOMNW-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(C(=O)c3cnn4c(C)c(Cc5ccccc5Cl)c(C)nc34)CC2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWMRUZCWNNNCJM-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2c(C)nc3c(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cnn3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKNPGQIBFSDMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2c(C)nc3c(C(=O)N4CCN(c5ccc(F)cc5)CC4)cnn3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAJUXJSXCLUTNU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(=O)cc(-c3nnn[nH]3)oc2c1)c1ccc(OCCCCc2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5176353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWPPFLTQZJXMM-BQAIUKQQSA-N", "SMILES:Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2c(O)c(-c3ccccc3)c[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOFDXGCYTXROH-BDQAORGHSA-N", "SMILES:Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2c(O)c3ccccc3[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGZWUOCZNASIL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3cc(F)ccc3O)C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTVDTWRIZNVEW-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3cc(F)ccc3O)C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKVLBBZOVBQIBD-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIDGXWIZPIIJMM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBHBJXVRDZEDW-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAYLPPWYIAZQJX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYQYLTBQKBAUCQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4c(c3)CCN(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORMQZLGUBHAQE-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4c(c3)CCN(C(C(=O)Nc3nccs3)c3cccc(F)c3)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOTGNSORWJPRGT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)CC4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKSYIHZOSLKUBK-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3cccc(F)c3)CC4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DABOWPJSHYZQFR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4c(=O)n(C(C(=O)Nc5nccs5)c5ccccc5)ccc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSABGRXKXBBOA-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4c(=O)n(C(C(=O)Nc5nccs5)c5ccccc5)ccc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYIOUIJGNDIOP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4ccn(C(C(=O)Nc5nccs5)c5ccccc5)c(=O)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJYLZOUVLGJIC-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4ccn(C(C(=O)Nc5nccs5)c5ccccc5)c(=O)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCSLPZUGRSYKA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4c(=O)n(C(C(=O)Nc5nccs5)c5ccccc5)cnc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCGLUWNVKAXQS-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4c(=O)n(C(C(=O)Nc5nccs5)c5ccccc5)cnc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQUCWWKJWPZAY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4ncn(C(C(=O)Nc5nccs5)c5ccccc5)c(=O)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTXOSXUTKMPEBO-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4ncn(C(C(=O)Nc5nccs5)c5ccccc5)c(=O)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVARPLRXXXQBS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4c(=O)n(C(C(=O)Nc5nccs5)c5ccccc5)ncc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFYMVGXUJLQFBT-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4c(=O)n(C(C(=O)Nc5nccs5)c5ccccc5)ncc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBUQRGKCNCPQMW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc4cnn(C(C(=O)Nc5nccs5)c5ccccc5)c(=O)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YESWYRQQFYYGHC-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4cnn(C(C(=O)Nc5nccs5)c5ccccc5)c(=O)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSPHAGHHFITRZ-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4ncn(C(C(=O)Nc5nccs5)c5ccccc5)c(=O)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLYDTRFIOUUDD-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3cnc4ncn(C(C(=O)Nc5nccs5)c5ccccc5)c(=O)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJWAUDUBWDXJD-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3cc(F)c4ncn(C(C(=O)Nc5nccs5)c5ccccc5)c(=O)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGPHZUBZOTRTG-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3ccc4ncn(C(C(=O)Nc5nccs5)c5ccccc5)c(=O)c4c3F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXMFDEWHJXKKLG-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(-c3cc4c(=O)n(C(C(=O)Nc5nccs5)c5ccccc5)cnc4cc3F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMUTDNBXNPVRS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-n2nc(-c3ccc(C(F)(F)F)cc3O)nc2-c2ccccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1831286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHJXYTKJNPPAHC-UHFFFAOYSA-N", "SMILES:CCC(c1ccc(O)c(OC)c1)c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYPFYLGAJMCPY-UHFFFAOYSA-N", "SMILES:CCC(c1ccc(O)c(OC)c1)c1ccc(OC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266564", "category": ["biolink:ChemicalEntity"], "name": "TILIROSIDE", "xref": ["InChIKey:DVGGLGXQSFURLP-VWMSDXGPSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5189554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWZCXKSHBXOLC-ZHBIAMHWSA-N", "SMILES:O=C1CCC[C@H]2[C@@H]3CCCN[C@H]3[C@H](CCCN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWZCXKSHBXOLC-KYPGYVLWSA-N", "SMILES:O=C1CCC[C@H]2[C@H]3CCCN[C@@H]3[C@@H](CCCN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPNBFFORZNLHX-RWPZCVJISA-N", "SMILES:COc1ccc(/C=N/n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLICSIWZUFEAMK-HNNXBMFYSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2nc(Cc3ccccc3)n(C)n2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNIYOQTNDEGSF-INIZCTEOSA-N", "SMILES:CCn1nc(C(=O)N[C@H]2COc3ccccc3N(C)C2=S)nc1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFXHOJCKJGXNG-INIZCTEOSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2nc(Cc3ccccc3)n(CCF)n2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZVKWDKNNWOLTP-HNNXBMFYSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2nc(Cc3ccccc3)n(CC(F)(F)F)n2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWULYOXEBVCWFW-SFHVURJKSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2nc(Cc3ccccc3)n(C3CCC3)n2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZNGKXOVSNBLNZ-ZVAWYAOSSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2nc(Cc3ccccc3)n(C3CCOC3)n2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVARPKLPZMHFHM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCOCC(Cc4cccc5[nH]ncc45)C3)CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJFBHTPXHIYRGU-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCOCC(Cc4cccc5[nH]ncc45)C3)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYFMLONWKDSAB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCOCC(Cc4cccc5[nH]ncc45)C3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJJXNXKQNDITO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(C(=O)N(C)CC(=O)Nc3cccc4[nH]ncc34)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVXXMLYPUUEOX-MRXNPFEDSA-N", "SMILES:COc1ccc(C2(C(=O)N(C)[C@H](C)C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWOKGWVMFHYAN-HSZRJFAPSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGAGJKQQRBFEC-JOCHJYFZSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUJAHQWJJQENP-VGOFRKELSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKNCQXHKZNFDX-HTAPYJJXSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@@H](O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKNCQXHKZNFDX-VGOFRKELSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWZAAFMUYDNGED-OAQYLSRUSA-N", "SMILES:COc1ccc(C2(C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1"]}
{"name": "Histone acetyltransferase KAT7", "xref": ["CHEMBL.TARGET:CHEMBL3774299"], "id": "UniProtKB:O95251", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone acetyltransferase KAT6B", "xref": ["CHEMBL.TARGET:CHEMBL3774300"], "id": "UniProtKB:Q8WYB5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRMUOGUIBQRQC-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CC5CC(C4)O5)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFIMOSAIRTWFQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1C2CC1CN(c1ccc(Nc3nccc(-c4ccc(C(=O)NCC#N)cc4)n3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYLDQHPLHUIQDZ-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CC5OCCOC5C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCOZTZVZABCZPR-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDAPAOOBNSDEJC-UHFFFAOYSA-N", "SMILES:Cc1nc2c(s1)CN(c1ccc(Nc3nccc(-c4ccc(C(=O)NCC#N)cc4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSQWEHGZBQDBOU-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4Cc5c[nH]nc5C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWKQJEFAEHWZOM-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(-n4cncn4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXUGUQZBKGXJRN-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(-n4cccn4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLNAZBYXWKEOFH-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC5(CCCO5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKDYBGNDVWYPB-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC5(CC4)COC(=O)C5)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCCTVKBEMOMJMI-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CC5COCC5C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCJJKQNSYLWIKI-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC5(CCOC5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSICBYSCIKCEJ-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGEUDBLZSFKHNV-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(C5COC5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCYIJFIRVPYHPF-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(N5CC6CC(C5)O6)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJOQGTDSHRNBPK-UHFFFAOYSA-N", "SMILES:CC(=O)N1C2CC1CN(C1CCN(c3ccc(Nc4nccc(-c5ccc(C(=O)NCC#N)cc5)n4)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFUZZGUULWEEMA-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(N5CC6OCCOC6C5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLABPUOFFOHBG-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(N5CCC6(CCCO6)CC5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGGBMGINFFHJOO-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(N5CCC6(CCC(=O)O6)CC5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHYGCIUZUYLHGP-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(n5cncn5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSZGTXFEWOOQY-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(n5cccn5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPGULIZAFUFTB-UHFFFAOYSA-N", "SMILES:Cc1nnc(C2CCN(c3ccc(Nc4nccc(-c5ccc(C(=O)NCC#N)cc5)n4)cc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSRGYNITUBKSL-UHFFFAOYSA-N", "SMILES:Cc1nnc(C2CCN(c3ccc(Nc4nccc(-c5ccc(C(=O)NCC#N)cc5)n4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTNBLBEAJCSNG-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2)nc1-c1ccc(C(=O)NCC#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEVUGBBRYUOSTM-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWUERASKIACOC-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3)ncc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKGLPOBFCOFWMI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBIDGUSHCKLRN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CNC3)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWFEOXHBSXFLL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CCNC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAEFTIDFPBRZML-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CC2)CNC3)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095068", "category": ["biolink:ChemicalEntity"], "name": "IRUPLINALKIB", "xref": ["InChIKey:ZPCCNHQDFZCULN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"], "synonym": ["Iruplinalkib", "Iruplinalkib", "Iruplinalkib", "Iruplinalkib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVDMLWGETVVQNO-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCC3(CC2)CCN(C)CC3)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQQGMXBOLHOQA-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)CCN(c1ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)c(OC(F)F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVSKFZVAMESTL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CCN(C)CC3)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVLOWINKVPGUAP-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CCN(C)CC3)CC2)c(Cl)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQEYPEQDMUAORO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMMMWHUJBXJBE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(F)cc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHAGRZZFMNDTP-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2c(F)cccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKPLJYENARVMF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=S)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWKJDLYXNPPNX-BIPOYDDWSA-N", "SMILES:CC1(C)S[C@@H]2/C(=C\\C(=O)c3ccccc3)C(=O)N2[C@H]1C(=O)OC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJKIMULNISSIC-KXHINRMLSA-N", "SMILES:CC1(C)S[C@@H]2/C(=C\\C(=O)c3ccc(F)cc3)C(=O)N2[C@H]1C(=O)OC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGIFBCLZZXFDTP-NPFAENDCSA-N", "SMILES:CC1(C)S[C@@H]2/C(=C\\C(=O)OCc3ccccc3)C(=O)N2[C@H]1C(=O)OC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMDTWOPQATSPF-YFYZUCNKSA-N", "SMILES:CC1(C)S[C@@H]2/C(=C\\C(=O)OC(c3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)OC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAAWGAYOECUKNZ-FJEFLNRXSA-N", "SMILES:CCOC(=O)/C=C1/C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)OC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCPAWPZOBSBBTG-WAZLINBUSA-N", "SMILES:CC1(C)S[C@@H]2C/C(=C\\C(=O)c3ccccc3)C(=O)N2[C@H]1C(=O)OC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXUXNKHHYIXGN-MPEHWXSUSA-N", "SMILES:COC(=O)/C=C1\\C[C@H]2SC(C)(C)[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSFABQPPZYCGG-AMZZYFJHSA-N", "SMILES:CCOC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@H](CC(=O)OCC)NC(=O)OCc1ccccc1)C(C)C)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL318779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWLAIMXRBDUMH-ULQDDVLXSA-N", "SMILES:CSCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL132586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVWMBFPIAQRHK-UHFFFAOYSA-N", "SMILES:CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXVEBPEZMSPHB-PKHIMPSTSA-N", "SMILES:CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIKAXXIWJHWLY-ZIIYPAMZSA-N", "SMILES:CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUGNWRCWQLUXHX-ACWXGELRSA-N", "SMILES:COc1cc(C)c2c(=O)cc(C[C@@H](C)O)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3221936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWMQHECFXSVZGN-KMKOMSMNSA-N", "SMILES:O=C(O)/C(S)=C/c1c[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL302004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURCDOXDAHPNRQ-ZJKZPDEISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"], "synonym": ["L-68458"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPQRFPHLZZPCCH-PGMHBOJBSA-N", "SMILES:CC(=O)O/N=C1\\C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRLXHKDQSQMWSH-ZTUNSOAWSA-N", "SMILES:COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPMKIHUGVGQTG-VFFZMTJFSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N.CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N.O=S(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1410015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUWDSDKJBMFLHE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2130730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHGISMANBKLQL-UHFFFAOYSA-N", "SMILES:CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSQGNCUYAMAHD-XMPNZTCHSA-N", "SMILES:CC(C)(C)C1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRWSZZJLZRKHHD-RPABVHLTSA-N", "SMILES:C=C[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5185780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEMKXLKXBFHADY-UHFFFAOYSA-N", "SMILES:Nc1ccc(N2CCOCC2)cc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGDGKKHMKQQQBC-UHFFFAOYSA-N", "SMILES:Nc1ccc(N2CCOCC2)cc1N1CCSCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQVIRZRGHKMRKJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(N2CCOCC2)cc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYGBBCDXUVZGA-ZDUSSCGKSA-N", "SMILES:Nc1ccc(N2CCOCC2)cc1N1CCC[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDDVDADVCXVVNW-UHFFFAOYSA-N", "SMILES:Nc1ccc(N2CCOCC2)cc1N1CCC2(CC1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGVISIPNPSTDGA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(c2cc(N3CCOCC3)ccc2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEFAJYFQOVDXLW-UHFFFAOYSA-N", "SMILES:Nc1ccc(N2CCSCC2)cc1N1CCSCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJCAZMZODTZKD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(c2ccc(N)c(N3CCC(C(=O)OCC)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEJFFFJUVXSVCT-UHFFFAOYSA-N", "SMILES:Nc1ccc(N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCULGDRYGSSHE-UHFFFAOYSA-N", "SMILES:Nc1ccc(N2CCSCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRGYNFNFYVAQPD-SDCUFHLNSA-N", "SMILES:CC(=O)NC(CCCCN)C(=O)NCCCCCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYOETRHRJHBTG-IKXKSZOYSA-N", "SMILES:CC(=O)NC(CCCCNC(=O)c1cccc(I)c1)C(=O)NCCCCCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYOETRHRJHBTG-XQWKJPDZSA-N", "SMILES:CC(=O)NC(CCCCNC(=O)c1cccc([127I])c1)C(=O)NCCCCCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQVRIJCSRWPQV-CCDJVQBGSA-N", "SMILES:CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1[nH]c2ccccc2c1Cl)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHPIMHFFFCMLQJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc3c(ccc(=O)n3CCN3CCCCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWYUXKTNWTJAT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc3c(ccc(=O)n3CC(=O)N3CCCCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFLKWVDEZWQCI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3c(ccc(=O)n3CCN3CCCCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUQMLDKRXLNRBM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3nc(OCCN4CCCCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKCBPFAWJFUHP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3nc(OCC(=O)N4CCCCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPUKFGJDDGPJD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3nc(OCC(=O)N4CCOCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMNYHRDZECODIV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3nc(OCC(=O)N4CCNCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQEGAUOKYWANEV-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)COc2ccc3cc(Oc4ccc(C#N)cc4)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMRIIVBFHZNKQZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3nc(OCC(=O)N4CCNC(=O)C4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTPNGOFASSNQA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3nc(OCC(=O)NCC(N)=O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCKALDCBMUXOY-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2cc(Oc3ccccn3)ccc2n1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJXYHRAOHYWWBW-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2cc(Oc3ccccn3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CARGOCFGMJOVLC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)COc2ccc3cc(Oc4ccccn4)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZESOMREVWMTCC-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)COc2ccc3cc(Oc4ccccn4)ccc3n2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHMRDGIIUKRPOO-UHFFFAOYSA-N", "SMILES:NC(=O)CNC(=O)COc1ccc2cc(Oc3ccccn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVDBXVXLPDXCZ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTTVPKPPGWGFST-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFVLMHLYJWYJP-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)COc2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDQGLKQCLVCHT-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)COc2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZEQTXGNCCKNKH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUNDOFRNYJIMMV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(COc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFZWUFFIAFNGA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REGLDXIVBNZLDY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCBGQASRGPDLU-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYDLIVNXOKESA-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc3cc(Oc4ccccn4)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATJHIFTVCAMGM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(F)cn3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNLQAUECWCBNY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSKAASYIVOPYMH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJUUAPCYEULXLY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3cccc(C(F)(F)F)n3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGASFLWLHULJGT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3cc(C(F)(F)F)ccn3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXZNXQOXMODEI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(OC(F)(F)F)cn3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXGKEDVVNKUKU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3cnc(C(F)(F)F)cn3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKNJBPJHWTTRY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ncc(C(F)(F)F)cn3)ccc2n1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRECESGKKOPFJT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCNC(C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJVYQCIXUQIREB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(CC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3965189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATOXHDFJPTCPW-UHFFFAOYSA-N", "SMILES:O=C(NC1CCOC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHHALVLOZQTWNJ-MRXNPFEDSA-N", "SMILES:O=C(N[C@@H]1CCOC1=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPYPXUVYDPRBB-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSNYWHWFBAPIII-OKILXGFUSA-N", "SMILES:O=C(N[C@H]1C[C@@H](O)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAHWYYIYLGDODQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CC(F)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXIAWXRFUMXMQT-UHFFFAOYSA-N", "SMILES:O=C(NC1CC(F)(F)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCCAYEFCNRAEQR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLOYGTFAWSHKJJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJPWYPFQPIGEAJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYCSIKBESLTOLI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)C1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCKYXMWUDMBNX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWLFRXVPNVBXGR-AWEZNQCLSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWLFRXVPNVBXGR-CQSZACIVSA-N", "SMILES:O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYGVMSRTANHJY-UHFFFAOYSA-N", "SMILES:C#CCN(C)C1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RELIUPLDFYVMJL-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQFMJZLSYXPUQF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3c(c2)oc(=O)n3Cc2ccc(F)cc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXUOFRKFDZEFBX-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc3c(c2)oc(=O)n3Cc2ccc(F)cc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXWKIQKRWPEKC-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc3c(c2)oc(=O)n3Cc2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQPWNKJFQIKLQB-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3cnc4[nH]ccc4c3)ccc2n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZUBKMZRXDFNDX-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3ccc4[nH]ccc4c3)ccc2n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYOWOGLUOUXIO-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3cnc4[nH]ccc4n3)ccc2n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYENPVXXXRSUPX-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3ccc4ncnn4c3)ccc2n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTLDJYYZLLTDQ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3ccn4ncnc4c3)ccc2n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNIKYRMZJPFUKA-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3ccnc4[nH]ncc34)ccc2n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMYYVJBYRJKNN-UHFFFAOYSA-N", "SMILES:Nc1ncnn2c(-c3ccc4c(c3)oc(=O)n4Cc3ccc(F)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBAFYKZQAVHNOQ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3c[nH]c4ncccc34)ccc2n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMUMGQAWLYBMJ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3cnc4[nH]ccc4c3)ccc2n1Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMZFJQKLRDLACF-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3cnc4[nH]ccc4c3)ccc2n1Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYICZQVATWBBIH-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3cnc4[nH]ccc4c3)ccc2n1Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMZHDKUHAWNPGJ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3cnc4[nH]ccc4c3)ccc2n1Cc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPORMEWLUPMZMK-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(-c3cnc4[nH]ccc4c3)ccc2n1Cc1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRHILHIKLGEWOH-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)oc3cc(-c4cnc5[nH]ccc5c4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBCJSFILAJRPH-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(=O)oc3cc(-c4cnc5[nH]ccc5c4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLLZUPDDLALOI-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c(=O)oc3cc(-c4cnc5[nH]ccc5c4)ccc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPYOQANXDWHFOZ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)oc3cc(-c4ccc5[nH]ccc5c4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPAARIUQBUFOQT-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)oc3cc(-c4cnc5[nH]ccc5n4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQVOVBDKINFKY-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)oc3cc(-c4ccnc5[nH]ccc45)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZYSTAHKNUFTM-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)oc3cc(-c4ccc5c(c4)CCN5)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQPJNIVBHMKJZ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)oc3cc(-c4cccnc4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFUAJNXFLLGMG-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)oc3cc(-c4cncnc4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVWAFHBHGOQNH-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)oc3cc(-c4ccc(N)nc4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVDNTWXIIKNMHY-KTEQGTNPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCC(=O)O)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC2=O"]}
{"name": "Piezo-type mechanosensitive ion channel component 1", "xref": ["CHEMBL.TARGET:CHEMBL5169186"], "id": "UniProtKB:Q92508", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNXBSYSQXSXPT-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1"]}
{"name": "Piezo-type mechanosensitive ion channel component 1", "xref": ["CHEMBL.TARGET:CHEMBL5169095"], "id": "UniProtKB:E2JF22", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMNACSEESRUAK-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2ccccc2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXDCRSXNEOKXDE-UHFFFAOYSA-N", "SMILES:Cc1oc(-c2cccs2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82970", "category": ["biolink:ChemicalEntity"], "name": "SALICYLANILIDE", "xref": ["InChIKey:WKEDVNSFRWHDNR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccccc1O"], "synonym": ["Salicylanilide", "Salicylanilide", "NSC-14881", "Salinidol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5201508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZSJOBKRSVRODF-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)ccc1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1255778", "category": ["biolink:ChemicalEntity"], "name": "BENSERAZIDE HYDROCHLORIDE", "xref": ["InChIKey:ULFCBIUXQQYDEI-UHFFFAOYSA-N", "SMILES:Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANBMLFTKYYCTD-VTBWFHPJSA-N", "SMILES:Cc1ccccc1CC1OC(=O)c2cc(N3CC[C@@H](O)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSYNERMVWCRCGM-NNJIEVJOSA-N", "SMILES:O=C1OC(Cc2ccc(F)cc2)c2ccc(N3CC[C@@H](O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGVMICYRSNYFK-NNJIEVJOSA-N", "SMILES:O=C1OC(Cc2ccc(C(F)(F)F)cc2)c2ccc(N3CC[C@@H](O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HENNGELNWNFLLQ-NYRJJRHWSA-N", "SMILES:Cc1c(F)cccc1CC1OC(=O)c2cc(N3CC[C@@H](O)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNJTHIJYSBYSK-VTBWFHPJSA-N", "SMILES:Cc1cc(F)ccc1CC1OC(=O)c2cc(N3CC[C@@H](O)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPAFWDHCZWXIL-YJJYDOSJSA-N", "SMILES:O=C1OC(Cc2ccc(F)c(F)c2)c2ccc(N3CC[C@@H](O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRZIYEYLOLUPKE-NNJIEVJOSA-N", "SMILES:O=C1OC(Cc2ccc(Cl)cc2)c2ccc(N3CC[C@@H](O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGMACDNGNBGJM-NNJIEVJOSA-N", "SMILES:O=C1OC(Cc2cccc(F)c2)c2ccc(N3CC[C@@H](O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAIBLZKAIOPSHM-IKJXHCRLSA-N", "SMILES:O=C1OC(Cc2ccc(OC(F)(F)F)cc2)c2ccc(N3CC[C@@H](O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGVMICYRSNYFK-BUSXIPJBSA-N", "SMILES:O=C1OC(Cc2ccc(C(F)(F)F)cc2)c2ccc(N3CC[C@H](O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGTDKOQEALYXPR-NYRJJRHWSA-N", "SMILES:Cc1ccc(CC2OC(=O)c3cc(N4CC[C@@H](O)C4)ccc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWDIUHBIIMOIGU-VTBWFHPJSA-N", "SMILES:Cc1ccc(F)cc1CC1OC(=O)c2cc(N3CC[C@@H](O)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHPRBNEIQZLLA-NYRJJRHWSA-N", "SMILES:Cc1cc(OC(F)(F)F)ccc1CC1OC(=O)c2cc(N3CC[C@@H](O)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPAFWDHCZWXIL-FVRDMJKUSA-N", "SMILES:O=C1OC(Cc2ccc(F)c(F)c2)c2ccc(N3CC[C@H](O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGEGMPUQDCGMBB-NNJIEVJOSA-N", "SMILES:O=C1OC(Cc2cc(F)cc(F)c2)c2ccc(N3CC[C@@H](O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUTDHZYYTZKKEI-IKJXHCRLSA-N", "SMILES:O=C1OC(Cc2cc(F)ccc2F)c2ccc(N3CC[C@@H](O)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFKVPHJCTQRMDU-YJJYDOSJSA-N", "SMILES:NC(=O)[C@@H]1CCN(c2ccc3c(c2)C(=O)OC3Cc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFKVPHJCTQRMDU-FVRDMJKUSA-N", "SMILES:NC(=O)[C@H]1CCN(c2ccc3c(c2)C(=O)OC3Cc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFVAAYKNUXYBQ-GKOGFXNCSA-N", "SMILES:NC(=O)[C@@H]1CCN(c2ccc3c(c2)C(=O)OC3Cc2ccc(F)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFVAAYKNUXYBQ-RSXQAXDFSA-N", "SMILES:NC(=O)[C@H]1CCN(c2ccc3c(c2)C(=O)OC3Cc2ccc(F)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORVIURVSAMEOB-MJTSIZKDSA-N", "SMILES:CO[C@@H]1CCN(c2ccc3c(c2)C(=O)OC3Cc2ccc(F)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSNUABOKGSEUCD-QRIPLOBPSA-N", "SMILES:COc1ccc(CC2OC(=O)c3cc(N4CC[C@@H](O)C4)ccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFBMGWIQRMOAP-OQHSHRKDSA-N", "SMILES:CC(=O)N[C@@H]1CCN(c2ccc3c(c2)C(=O)OC3Cc2ccc(F)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQWXLIWWUHHIJ-QMRFKDRMSA-N", "SMILES:CC(=O)N[C@@H]1CCN(c2ccc3c(c2)C(=O)OC3Cc2ccc(F)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJNOZVIDSTPHW-YTJLLHSVSA-N", "SMILES:COC(=O)[C@H]1CCN(c2ccc3c(c2)C(=O)OC3Cc2ccc(F)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGOXIFSMAQQPS-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1)c1scnc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQYRTPRXYJMAX-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1)c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWIPSZJJOUPAR-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYLUVZXSCQBFOJ-AZGAKELHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLXNMMXQQSGOCI-JYFHCDHNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGABDKZKZANIFB-AZGAKELHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXWITBGBVJXCLI-IZZNHLLZSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(O)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCIBAQZEALBAN-AZGAKELHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJMPAJOXVZJKB-AHKZPQOWSA-N", "SMILES:COc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGVUPKAJANWBHS-WIOPSUGQSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)c(O)c(O)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEPOKQUTCCGJJF-LOSJGSFVSA-N", "SMILES:COc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWEJQYMGCBURAZ-AZGAKELHSA-N", "SMILES:COc1cc(O)c(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBBVHHKTCVARC-AZGAKELHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1O)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQJJBSGSCDCXAC-JYFHCDHNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSEYYBFEOWLEHH-AZGAKELHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1O)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRINBDRQOUWOD-IZZNHLLZSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(O)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBYPHHJFXTYPO-AZGAKELHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1O)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQOIIAUTYCAKBE-AHKZPQOWSA-N", "SMILES:COc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNZKPQRPYBXGNS-WIOPSUGQSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)c(O)c(O)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKLHRHMCHAPFW-LOSJGSFVSA-N", "SMILES:COc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQPEABXMVAIAN-AZGAKELHSA-N", "SMILES:COc1cc(O)c(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQURVQJQHPUEPV-AZGAKELHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1O)S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVTLNOGILISOFW-JYFHCDHNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACMUDLDSUPPVGF-AZGAKELHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1O)S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUYRLUJCQDDJKL-IZZNHLLZSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(O)c1)S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCUVIHWBGJMLCJ-AZGAKELHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1O)S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDRCEUHEZPWFNE-AHKZPQOWSA-N", "SMILES:COc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(F)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIORBAIZWRLKK-LOSJGSFVSA-N", "SMILES:COc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(F)cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSPPAVSUTLYGPE-AZGAKELHSA-N", "SMILES:COc1cc(O)c(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKZMXURVNDHPJ-UHFFFAOYSA-N", "SMILES:O=C(CCNCCc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHWRISYBKMXSGJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C=C2C(=O)C=CC2=O)cc(C)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1091317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLTVHDFTPZGNO-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNOIISWSHOWBRB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQMOCCNICWGCHS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)N1CCCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZKQHNSSCRPHI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Cl)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHNSUZRNPPIPW-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)c2cccc(N3CCCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFLXTKKNVLRES-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(N3CC(CNC4CCOCC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXZYNHGVTXUZKN-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(N3CC(O)(CNC4CCOCC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYLPHVXEHZIPS-UHFFFAOYSA-N", "SMILES:COC1(CNC2CCOCC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDMNBAZVNXYLN-UHFFFAOYSA-N", "SMILES:COC1(CN(C)C2CCOCC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRKVGZJJBYRTA-UHFFFAOYSA-N", "SMILES:COC(=O)C1(CNC2CCOCC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWJAQOAGHDLCN-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(N3CC(CNC4CCOCC4)(C(=O)O)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZLTKHKFOYSAP-UHGJSFDGSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(N3CC(CN[C@H]4CC[C@@H](C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZLTKHKFOYSAP-JKIUYZKVSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(N3CC(CN[C@H]4CC[C@H](C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXBNWIFVISZVNZ-UHGJSFDGSA-N", "SMILES:COC1(CN[C@H]2CC[C@@H](C(=O)O)CC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXBNWIFVISZVNZ-JKIUYZKVSA-N", "SMILES:COC1(CN[C@H]2CC[C@H](C(=O)O)CC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAOGFYSXDYNYSX-XYWHTSSQSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(N3CC(F)(CN[C@H]4CC[C@H](C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGVQZUOYJYUAE-ZFMMCZPJSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(N3CC(F)(CN[C@H]4CC[C@@](C)(C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGVQZUOYJYUAE-LWRMHNEGSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(N3CC(F)(CN[C@H]4CC[C@](C)(C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPOFZVFXCGGNK-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(N3CC(F)(CNC45CCC(C(=O)O)(CC4)CC5)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVDOOJPUMCADJO-IRJFHVNHSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(N3CC(F)(CN[C@H]4C[C@H](C(=O)O)C4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXVZUYPQSMFHJ-RODCLFSISA-N", "SMILES:CC[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@@]12CO[C@@H]([C@H](n3ccc(=O)[nH]c3=O)O1)[C@@H]2O"]}
{"name": "Phospho-N-acetylmuramoyl-pentapeptide-transferase", "xref": ["CHEMBL.TARGET:CHEMBL1770035"], "id": "UniProtKB:P0C1R8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQDJQYUACSIQL-ULOMPZFWSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2ccccc2)[C@@]23CO[C@@H]([C@H](n4ccc(=O)[nH]c4=O)O2)[C@@H]3O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRXKVYWCKBPJQK-RODCLFSISA-N", "SMILES:C#C[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@@]12CO[C@@H]([C@H](n3ccc(=O)[nH]c3=O)O1)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOBXKGJAAUCNDS-UHAWNKIKSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2ccccc2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMPJDHGJNDQVLQ-LNBGRKRMSA-N", "SMILES:C#C[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRFCSXRMLSSQDG-YWKFVXPGSA-N", "SMILES:NC[C@H]1O[C@@H](OC[C@@]23CO[C@@H]([C@H](n4ccc(=O)[nH]c4=O)O2)[C@@H]3O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIOPSMXXVLJLY-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDJXIHKAJFZPG-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXHDTNXIXSPGGD-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXURJKZJRZFXMN-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNBDRIOXKWWCY-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHVWKHRZHWQZFP-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKCYWTJMVGOTRD-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUXMHMIXFOLLIH-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFOUFZLASNVFQ-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXBPYNLGCHHCAT-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZYXDFXRWCDJIZ-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSWJENGNAPRTN-QGMBQPNBSA-N", "SMILES:Nc1nonc1C(=O)N/N=C1\\c2ccccc2-c2nc3nonc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFSSAKVWCKFRHE-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nc3nonc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCIDDGTJILXKX-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2cccc(OC)c2)nc2cc3nc(-c4cccc(OC)c4)n(CCC)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKAFXNGFXPGQIG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4ccnc(Cl)c4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCPUCWVMRBQJLW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4cccc(Cl)c4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLFBJGERQILPV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4ccccc4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQDTYWXMRWCEU-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NC4CC4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIGCQCAUAFMZHK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3cc(N)c(C(=O)NC4CC4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKIOUIBTZSAOT-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCC4CC4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJOAFWNSFAWGV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NC4CCOCC4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSOSYLYYAHPPY-HNNXBMFYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)N[C@H](CO)Cc4ccccc4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSZBACUSMREEJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCCn4cc(CO)nn4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUMZHZANOYKXNE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4ccccc4O)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAYFWUPRLPNVHC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4ccccc4O)s3)c(Cl)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRYWPGDDFDRBPM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4cccc(O)c4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSUGKHWYRFPBHG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4cccc(O)c4)s3)c(Cl)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQZFCZAYARDQIK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4ccccc4N)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLGZOWVGNXABBW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4ccccc4N)s3)c(Cl)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZHQRUPXPKDOD-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4cccc(N)c4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFNHVLSKHGTGM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4cccc(N)c4)s3)c(Cl)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXMQMOAEGLRHE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4cccc(N)c4)s3)ccc(F)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBYKVYDELTMBK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(-c3ccc(C(=O)NCc4ccc(N)cc4)s3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3421968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVXTMKTGDARKR-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMCHYGXXYBDCD-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(NC3CCCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYOZPLFVFYJSSE-WPUBFDFZSA-N", "SMILES:O=C(c1ccc(-c2ccc(-c3nc4cc(O[C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O)[nH]c4cc3F)cc2)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWBHKJDRRTZCK-WPUBFDFZSA-N", "SMILES:O=S1(=Nc2ccc(-c3ccc(-c4nc5cc(O[C@@H]6CO[C@H]7[C@@H]6OC[C@H]7O)[nH]c5cc4F)cc3)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYDCDSWKSCKMW-UHFFFAOYSA-N", "SMILES:N#CC1=C(O)C2C(c3ccc(-c4ccccc4O)cc3)=CSC2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJVPMRBYOUZFX-UHFFFAOYSA-N", "SMILES:O=C1NC2SC(Cl)=C(c3ccc4c(c3O)CCCC4)C2C(O)=C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTMCDQWKWCBXGM-AWEZNQCLSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGLMHKPIKLMDO-HNNXBMFYSA-N", "SMILES:COc1ccc(CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGCYGXVYQLNHU-HNNXBMFYSA-N", "SMILES:Cc1ccc(CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBKWHWMPBCWFIA-AWEZNQCLSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWBXTBMTRYKUCD-SFHVURJKSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYDCVNZYIOEBTJ-SFHVURJKSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSTKBZUZEJDDPA-AWEZNQCLSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVUVZMDLZJDDY-AWEZNQCLSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIUGACGJWCJJME-AWEZNQCLSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBWUXRKCPILHV-AWEZNQCLSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSDVATYIUWDCW-AWEZNQCLSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZVDHOJRKOXLF-AWEZNQCLSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVUGLNOPRZQEY-AWEZNQCLSA-N", "SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQYYLUWOYDBKPV-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C=C(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXMRAUUBVWCCGO-ZHACJKMWSA-N", "SMILES:CN(C)CCN(C(=O)/C=C/c1c[nH]c2ccccc12)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTIXPRZEJAFAS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=S)SCCN(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTMBNUGLPSXIQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=S)SCCN2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DITFLYXLIQETNM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=S)SCC(=O)N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHSKEKHPIDAJAY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)SCC(=S)N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRGYSJZOYOGMN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)SCC(=S)N2CCS(=O)(=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTNNZRHEZXJZCQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)SCC(=S)N2CCN(CCO)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNVKZYLQZYULJV-UHFFFAOYSA-N", "SMILES:CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIGQFMEPHTOIB-UHFFFAOYSA-N", "SMILES:C[Si](C)(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXBZMKOPNEAML-UHFFFAOYSA-N", "SMILES:CC[Si](CC)(CC)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHEDEVPRZXMGKU-UHFFFAOYSA-N", "SMILES:CCC[Si](CCC)(CCC)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXKAKRVCIDNQA-UHFFFAOYSA-N", "SMILES:OC(c1ccc([Si](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXZWTVJONJUMMI-UHFFFAOYSA-N", "SMILES:C=C[Si](C)(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULUFHBNVVKMYSI-UHFFFAOYSA-N", "SMILES:C=CC[Si](C)(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFIFXRLCCPAKNX-UHFFFAOYSA-N", "SMILES:CCCC[Si](C)(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQDIVDMHKRLIRW-UHFFFAOYSA-N", "SMILES:CC(C)(C)[Si](C)(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQDKQVVLCMCRDB-UHFFFAOYSA-N", "SMILES:C[Si](C)(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCWDCCUXDJMNMM-UHFFFAOYSA-N", "SMILES:C[Si](C)(c1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDBFZNWFWMGJD-UHFFFAOYSA-N", "SMILES:C[Si](C)(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXLCVLOGCQYDQ-UHFFFAOYSA-N", "SMILES:C[Si](C)(C)[Si](C)(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWKWXCDGBCZSA-UHFFFAOYSA-N", "SMILES:CC[Si](C)(CC)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHYBMDOXHHUKTA-UHFFFAOYSA-N", "SMILES:C[Si](C)(CCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLYCWINNCSIANB-UHFFFAOYSA-N", "SMILES:CC(O)[Si](C)(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLLYRSQGRCDFQ-UHFFFAOYSA-N", "SMILES:C[Si](C)(CCCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSSFATWHTCJONS-UHFFFAOYSA-N", "SMILES:C[Si](O)(c1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRSXZSLYYYSLY-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(C)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVOBSANQKOLBKN-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXUOXHCKMAXJN-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CCC)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFQPQGHMJGFSIN-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CCCC)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYHEHMHTGTXDI-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(C(C)C)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENNXHANYHUVBN-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(C3CC3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHMYBFUXOZYGAN-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(C3CCC3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCQTHPDFFDSOI-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(C3CCCC3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMIBTFYAFHPDQN-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2cnc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSKZTPNIMYJTDN-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC(C)C)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRABJIYRVPNLRD-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(C(C)(C)C)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVBWUBLQXSFBU-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(C3CCCCC3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDEYNJDHNDMHTI-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(C34CC5CC(CC(C5)C3)C4)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXUCOIGIMLDJOJ-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHZMPHRNRCKQEF-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWKTTWLFXOLPM-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(-c3nccs3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZEMXWFOJLMIBZ-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKIBYRAMKDYMO-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1cc(F)c(Cn2c(C(C)(C)C)nc3ccccc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSNYZHRJLGURI-UHFFFAOYSA-N", "SMILES:CCCc1ccc(S(=O)(=O)NC(=O)OCCCC(F)(F)F)c(-c2cc(F)c(Cn3c(C(C)(C)C)nc4ccccc43)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNOXIVCXLZZNA-UHFFFAOYSA-N", "SMILES:CCCc1ccc(S(=O)(=O)NC(=O)OCCCC(F)(F)F)c(-c2ccc(Cn3c(C(C)(C)C)nc4ccccc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPXWSJSOMPRKEQ-UHFFFAOYSA-N", "SMILES:CCCc1ccc(S(=O)(=O)NC(=O)OCCC(F)(F)C(F)(F)F)c(-c2ccc(Cn3c(C(C)(C)C)nc4ccccc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSANIPLACRYCO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZBSFTDJDLHACY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXBUFVNUNBIKE-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZDZYBRPQIZKAC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZSKXGGVXHHMU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOBLXKWOGVJGO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZMOKHJRMSOJQV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQARGTVFGVLOFV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMKYYVRVBLUEY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNVXUJEYJDIJS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCN(CCCN4CCOCC4)c4ccccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTHNPWRWHKXUMA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXXUCVMJXTWLKE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCCCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIHZPTQRLOCQDO-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGOOYOFDSPJDBT-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZQQHUSSHYZPS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARNWMFHCDWZGI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDAVRHDWJMTMLJ-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUUXNMGQWZSDO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNAIMJIAWHORGP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLXWUFMIJCQAD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FONSYKVQZMLQHR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccc(Cl)cc32)cc1)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGMPSQDDYQCPP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5028970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQHBCDRUCUFIPW-QHCPKHFHSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJHFTASKDWISV-QFIPXVFZSA-N", "SMILES:COc1cccc(F)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMJYOLLEFQSSI-VWLOTQADSA-N", "SMILES:CCc1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXBLRKJCYSRWFG-QHCPKHFHSA-N", "SMILES:CC(F)(F)c1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPWVMXWDCGRQR-VWLOTQADSA-N", "SMILES:O=C(C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2ccccc2C2CC2)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGUEUKJCZDABQ-QFIPXVFZSA-N", "SMILES:O=C(C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTAAQDMPXACZQG-NRFANRHFSA-N", "SMILES:O=C(C[C@H](CCN1CCOCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPPVOCTQFFBFS-IDISGSTGSA-N", "SMILES:O=C(C[C@H](CCN1CCCC[C@H]1C(F)(F)F)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTDZVKHLMLJBV-NRFANRHFSA-N", "SMILES:O=C(C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUPMLNPDMCSAMD-QHCPKHFHSA-N", "SMILES:CN(CC[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUPVZSMPRGEENS-QFIPXVFZSA-N", "SMILES:CC(C)CN(C)CC[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQMUYMDEBSJZPT-GOSISDBHSA-N", "SMILES:O=C(C[C@H](CN1CC(F)(F)C1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIOARZJYFLJKBV-QHCPKHFHSA-N", "SMILES:O=C(C[C@H](CCc1ccc(F)cc1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLXHNZFGVXVQK-NRFANRHFSA-N", "SMILES:Cc1cnn(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(C3CCCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKUNACEAHBTMG-KRWDZBQOSA-N", "SMILES:O=C(C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)Nc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEULUOOKZZIGIY-VWLOTQADSA-N", "SMILES:Cc1cccc(C)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRNKIVPOLKWQTQ-VWLOTQADSA-N", "SMILES:CCc1cc(F)ccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTYLIABVYBAMP-QFIPXVFZSA-N", "SMILES:CCOc1cc(F)c(-c2cc(C(=O)N[C@@H](CCN3CCCCC3)CC(=O)NC3CCC3)nn2C2CCCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMCBQUKTFKFPMN-QHCPKHFHSA-N", "SMILES:COc1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPRPHTVPUQEJKK-QHCPKHFHSA-N", "SMILES:CSc1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOMGLINDBSKHF-QHCPKHFHSA-N", "SMILES:CS(=O)(=O)c1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELLQIPQHMKOFY-VWLOTQADSA-N", "SMILES:CC(C)c1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJQCOHOMZZPYHE-VWLOTQADSA-N", "SMILES:C#Cc1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEPGAIJIJCMWKW-QFIPXVFZSA-N", "SMILES:O=C(C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2ccccc2OC(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPKPKKWYMYVIH-QFIPXVFZSA-N", "SMILES:O=C(C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2ccccc2Cl)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBMUQBBLXZDHH-NRFANRHFSA-N", "SMILES:O=C(C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2cccs2)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYIFTPPPAZOYTE-FQEVSTJZSA-N", "SMILES:O=C(C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2ccsc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVAPEESCNCJAHE-RZMWZJFBSA-N", "SMILES:O=C(C[C@H](CCN1CC2CCC1CC2)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPWZUBREIBTPHZ-NRFANRHFSA-N", "SMILES:O=C(C[C@H](CCN1CC2(COC2)C1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUAHLCPCSXNWCB-IBGZPJMESA-N", "SMILES:CN(C)CC[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOUOJHCTTULLPZ-FQEVSTJZSA-N", "SMILES:O=C(C[C@H](CCNC(=O)C1COC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXPEKAVEYHVJE-FQEVSTJZSA-N", "SMILES:O=C(C[C@@H](CN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLGIKAGXDSSRQ-IBGZPJMESA-N", "SMILES:O=C(C[C@@H](CN1CCC(F)(F)C1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWODEYLUMOIASA-QFIPXVFZSA-N", "SMILES:CN(C[C@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMXCUURNIEOQV-XMMPIXPASA-N", "SMILES:O=C(C[C@@H](NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)C(=O)NC1CCCCC1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVDJTORAATPIS-SANMLTNESA-N", "SMILES:CN(C(=O)[C@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYNNWZKNWDNDBW-HSZRJFAPSA-N", "SMILES:O=C(C[C@@H](NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)C(=O)NC1CCOCC1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUOCTHVSIIULV-QFIPXVFZSA-N", "SMILES:Cc1cc(C)n(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(C3CCCC3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBOZXECLQNJBKD-UHFFFAOYSA-N", "SMILES:CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1"], "chembl_natural_product": true}
{"name": "Pteridine reductase, putative", "xref": ["CHEMBL.TARGET:CHEMBL5228"], "id": "UniProtKB:Q581W1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:185431"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKCFUFHREWUXJJ-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(C(=O)c2ccc(N(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2178602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFXCDKAYLSVCHK-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(C(=O)c2ccc(N(CCO)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMKXBYYGJWCTTQ-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCN(C(=O)c2ccc(NCc3cnc4nc(N)nc(N)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLFZOQWYGJORW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCCN1C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTZWZUHDCONCKN-UHFFFAOYSA-N", "SMILES:CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBRAYUCAAUXJJ-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGQMPGXSJKTERW-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(C(=O)c2ccc(N(Cc3ccccc3)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSVXHZUMXANBHW-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(C(=O)c2ccc(SCc3cnc4nc(N)nc(N)c4n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRKEQBTIYLTPA-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(C(=O)c2ccc(N(CCCO)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQLDZGLJAMJTPQ-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(C(=O)Cc2ccc(NCc3cnc4nc(N)nc(N)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBPRUPXHZYYIT-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(C(=O)c2cccc(NCc3cnc4nc(N)nc(N)c4n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVHFSGMRVQZGMC-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYXRTNAMJDXRJ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(C(=O)NCc3ccccc3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIGBPBDYCDOJG-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(C(=O)NCc3cccc(C(F)(F)F)c3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHGIVIFLYVOBQX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(C(=O)c2ccc(N(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDVLSYFJVONRJ-UHFFFAOYSA-N", "SMILES:CCCOC(=O)C1CCN(C(=O)c2ccc(N(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMNKJAVCUDBBQL-UHFFFAOYSA-N", "SMILES:CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZUHYAFUFAOCJF-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(CNc3ccc(C(=O)c4ccccc4)cc3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URXOGQMRRPHSHR-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(CNc3ccc(C(=O)NCCc4ccccc4)cc3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSWCKTNARSLDLQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIUIAKIEYVIHIL-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETPLDVKGKXAKN-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2nc(CNCc3ccc(Oc4ccccc4)cc3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMTVROBCGUEED-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIIGLUKLZVOCMA-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXBVSBOHLCNVAP-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCN(C(=O)Cc2ccc(N(CCCO)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQMXOYQALOJNY-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCN1C(=O)Cc1ccc(N(CCCO)Cc2cnc3nc(N)nc(N)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEPDQIIFCBFHRJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(C(=O)c2ccc(N(CC)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASBJYAZYFSRQAB-UHFFFAOYSA-N", "SMILES:CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBAQLSSSQKPYLE-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc(CN(Cc3ccccc3)Cc3cnc4nc(N)nc(N)c4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCIFVXOLXOGHA-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc(CN(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)cc1"]}
{"name": "Dihydrofolate reductase-thymidylate synthase", "synonym": ["Bifunctional dihydrofolate reductase-thymidylate synthase"], "xref": ["CHEMBL.TARGET:CHEMBL5229"], "id": "UniProtKB:Q582G3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:185431"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSTCSVVVYCMKAR-SFQUDFHCSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(CC23CCC(c4ccc(N(C)C)cc4)(CC2)CC3)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGXBYHEMGZUGW-LFIBNONCSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(CC23CCC(c4ccc(N5CCC5)cc4)(CC2)CC3)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLSNSTQTEFIYRX-SFQUDFHCSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(CC23CCC(c4ccc(N5CCCC5)cc4)(CC2)CC3)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJBWJJTRLJXPY-XNTDXEJSSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(CC23CCC(c4ccc(N5CCOCC5)cc4)(CC2)CC3)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXGFQBKOECKEBC-LFIBNONCSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(CC23CCC(c4ccc(OC)cc4)(CC2)CC3)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KREDIGMOKHWQAG-LICLKQGHSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(CC23CCC(c4ccc(C5CC5)cc4)(CC2)CC3)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRJSAMVCBYPDEJ-VAWYXSNFSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(CC23CCC(c4nc(C)no4)(CC2)CC3)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAOLQSWRDPEPEY-JLHYYAGUSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(CC23CCC(c4nc(C5CC5)no4)(CC2)CC3)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJCAPSFAXHVTB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCCCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWKIZCTJVNUGN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCCCC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRSAEAUOUBYFC-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCCCC3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOGLRQCMUERGU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1coc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HESOEIFBFGIYEQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCCCC3)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWORKZYJOYGDD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(-c2cccc(N(CC34CCC(c5cnc(OC)o5)(CC3)CC4)C(=O)C3CCCCC3)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXAXLLXBJPQFP-UHFFFAOYSA-N", "SMILES:O=C(C1CCCCC1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZMLNRVSTUBLHZ-UHFFFAOYSA-N", "SMILES:O=C(C1CCC(F)(F)CC1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUTWRPJPBIBXQX-UHFFFAOYSA-N", "SMILES:CN1CCC(C(=O)N(CC23CCC(c4nc(C5CC5)no4)(CC2)CC3)c2cccc(-c3nc(C4CC4)no3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARAGAGXUWLVCPT-UHFFFAOYSA-N", "SMILES:O=C(C1CCS(=O)(=O)CC1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXSAHXZYHFEFQ-UHFFFAOYSA-N", "SMILES:O=C(C1CCOCC1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTBPTRJTATCBB-UHFFFAOYSA-N", "SMILES:O=C(C1CC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBCDUZMEWHIYNA-UHFFFAOYSA-N", "SMILES:O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1)C12CC(F)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQHUMCVYLJQAPZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWDADSUZQXCTH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWUKXRBHHAXLU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5nnc(C6CC6)o5)c4)(CC2)CC3)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZAAIKZDZIQENI-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZJGEUAGPSTRV-UHFFFAOYSA-N", "SMILES:CCOc1ncc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYINNISTIKTCGH-UHFFFAOYSA-N", "SMILES:CCOc1ncc(-c2cccc(N(CC34CCC(c5noc(C(F)F)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXXHKIXKQSCOSO-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(N5CCC(O)CC5)c4)(CC2)CC3)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCXEPWMFOKGSQ-BVLBHDCQSA-N", "SMILES:CCOc1ncc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)[C@H]3C[C@@](C)(O)C3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZCVYGFJKBCMH-WYNLMZEZSA-N", "SMILES:CCOc1ncc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)[C@H]3C[C@](O)(C(F)(F)F)C3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYKBYRIJFGEXHC-BYXIYGGRSA-N", "SMILES:CC(C)(O)c1ccc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)F)n5)(CC3)CC4)C(=O)[C@H]3C[C@@](C)(O)C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEMZJBZKICOPPC-RNMMDBENSA-N", "SMILES:CC(C)(O)c1ccc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)F)n5)(CC3)CC4)C(=O)[C@H]3C[C@](O)(C(F)(F)F)C3)c2)cc1"]}
{"name": "RNA-binding protein FXR2", "xref": ["CHEMBL.TARGET:CHEMBL5169136"], "id": "UniProtKB:P51116", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUDDEGUTWQAPPJ-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)c1cn2c(nc3ccccc32)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXIFYNGLZONIFC-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1cn2c(nc3ccccc32)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZHVNJTYPWAFA-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCC(F)F)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZANAMUPGFPPGQ-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cn2c(nc3ccccc32)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWJRZYAMVMHVLR-UHFFFAOYSA-N", "SMILES:CC(O)CNC(=O)c1cn2c(nc3ccccc32)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPLJWMKGKODGLF-UHFFFAOYSA-N", "SMILES:CC(CO)NC(=O)c1cn2c(nc3ccccc32)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URHVWVKNDKNOHD-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCCCO)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNOHMCPIYQQNG-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)Nc2ccccc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOQHXWKDEDJFJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cn3c(nc4ccccc43)c(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSISOPJJVBDBY-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2cn3c(nc4ccccc43)c(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIKGYBQWYKWUAW-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)Nc2ccc(Cl)cc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFRBRQJCFTZRKA-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)Nc2ccccn2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYNLOSWJZOQHDR-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2ccccc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDZDPMVJQKADFA-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2cccc(Cl)c2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHIATACMHNLOEM-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJGRLSPECOLGF-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2ccco2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGSYUOJQRJTJOT-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2cccc3cccnc23)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBGFABBLQXFDT-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCCc2cccc(Cl)c2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXNXIWADJCZKB-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2cn3c(nc4ccccc43)c(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKLTAFCGBYRBA-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCCc2ccc(O)cc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIMLSBSFZOAVBJ-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCCc2ccc3c(c2)OCO3)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWISIRXEPKXITJ-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCCc2ccccn2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEFRSWUZNIXOL-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)Nc2cccnc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRGTSADNQMEHM-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2cccnc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHBCVCCWMOUKI-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCc2ccncc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBUZZJOISNZDJ-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCCc2cccnc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KANSMJOWONNNKU-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)NCCc2ccncc2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRWJZCORCAMKGM-UHFFFAOYSA-N", "SMILES:Cl.Cl.Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYUWDBLTIXSKFM-KCHLEUMXSA-N", "SMILES:CC(=O)N[C@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@@H](C(=O)NCC(F)(F)F)NC(=O)[C@H](CCc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBPUBDMQBHNLF-AWCRTANDSA-N", "SMILES:O=C(NCC(F)(F)F)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHVWUQNZLCAIFO-GSDHBNRESA-N", "SMILES:O=C(NCC(F)(F)F)[C@@H]1CCCCOc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTDQJRCKWZLSS-SDHOMARFSA-N", "SMILES:O=C(NCC(F)(F)F)[C@@H]1COCCOc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVDQMJKIHWTMK-GSDHBNRESA-N", "SMILES:O=C(NCC(F)F)[C@@H]1CCCCOc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCQIHDORLVVRW-AWCRTANDSA-N", "SMILES:O=C(NCC1CC1)[C@@H]1CCCCOc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNVFDRPLFAKMK-DTXPUJKBSA-N", "SMILES:Cn1cc(CNC(=O)[C@@H]2CCCCOc3cccc(c3)C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBQKSGCGXCPPX-DTXPUJKBSA-N", "SMILES:O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRYMKGGHZKBXNG-AWCRTANDSA-N", "SMILES:O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](COc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYFFCMCTBRPUQM-DTXPUJKBSA-N", "SMILES:O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCc2ccc(F)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRHSOMJWRXEON-KCHLEUMXSA-N", "SMILES:O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCC(F)(F)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAYQAUAODZVWHY-UIOOFZCWSA-N", "SMILES:CC1(C)Cc2cccc(c2)OCCCC[C@@H](C(=O)NC2CCCC2)NC(=O)[C@H](CCN2CCOCC2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLMGXUADQANIFT-UIOOFZCWSA-N", "SMILES:O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(c2)CC2(COC2)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYWIDYNJYKDKY-KCHLEUMXSA-N", "SMILES:O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(c2)C[C@H](N2CCC2)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOIDLOIBZFWDO-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDDTIMFUUMXBL-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFJJLKNNRUJJV-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3cncnc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGBTCNWROHMLM-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cc(C(F)(F)F)ccc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBIVTMVOOBJEQV-UHFFFAOYSA-N", "SMILES:COc1cc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVHJVMJPGCWUDY-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVCZYPOMZHLRBQ-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3cccc(C(F)(F)F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJZKEUQRHKANL-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccc(C#N)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJMHMSNJHCAZMI-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccc(C(F)(F)F)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIRVYNOHTBFSEF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZWAZRLTDGONGX-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3cccc(OC)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKDQFOTMCZYQX-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccc(OC)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDEORNGCCVYCFX-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3cnc(OC)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCSXISDLOQNVNM-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3cnc(OC)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYGESWGTOIWDM-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccoc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNPQYHPCORNOFB-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2ccnc(-c3ccccc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RROGCGMHOWNSLD-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3ccccc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGKGQUMXVRJABH-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFVSRSGIHSMFF-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3ccc(OC)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMFQRGDWGQYTJQ-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2nc(-c3ccccc3)cs2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBIIJNUNSLZONO-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2nsc(-c3ccccc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPSEZFHNFVJFP-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2ncc(-c3ccccc3)s2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMOIYPXUZLQBU-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cnc(-c3ccccc3)s2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNGDUOUXBBOESX-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2nnc(-c3ccccc3)s2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOYITBVGFBTNC-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFCEHWKFQBBPB-UHFFFAOYSA-N", "SMILES:CCc1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAKUDHEKTZLOG-UHFFFAOYSA-N", "SMILES:CCCc1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUXSEDNCPGYTG-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(C(C)C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXMKAKDMDYGUJL-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(C3CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSXGCCUVMDANZ-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(C3CCSCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIJXQXSKKBTTEU-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(C3CCC(F)(F)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKRBHOISTRJBRB-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(N3CCCCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3719215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUGGZJLOVWOLEY-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(N3CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LASKSKRPEGVYCU-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(N3CCN(C)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUMSOAPDYDVSCJ-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(N3CCOCC3=O)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3714821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOPBIADLNYYSCZ-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2coc(N3CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYDXGRXUZGMNIU-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(N3CCOCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYRQNQKYYNJIL-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(N3CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLOBWWBBWDMGKK-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2ccnc(N3CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLFJSYFEVMJTBF-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(N3CCCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNOFBYJQBWEOA-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(N3CC4CCC(C3)O4)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDAEAYKWSPUJX-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2nc(N3CCOCC3)sc2C(F)(F)F)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WILKSHHHRGQDLY-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3ccc(C(C)(C)O)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQNNHOIJNFGLP-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3ccc(C(=O)O)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZZRYVPKNPQCIT-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3ccc(C(N)=O)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPISVVPOYSSYDY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHKOHGGOXTFGR-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3cccc(C(=O)N(C)C)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3718360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFCCZFCZIXBOIU-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3ccc(C(=O)N4CCCC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUTZSHQACHTQI-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3715516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUHROPMDFWDFRD-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKSIRPBTMHCNAP-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)c(C(=O)c2ccc(Br)cc2)n2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWVOXRBNSLZKQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBWMEYNOVOXLA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)c2c(N)c(C(N)=O)c3ccccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORCDRDYWPJRKDA-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(N)c(C(=O)c2ccc(F)cc2)n2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDJNKZROMRFXAK-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)c2c(N)c(C(N)=O)c3ccccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230597", "category": ["biolink:ChemicalEntity"], "name": "GSK-586581A", "xref": ["InChIKey:WGNQUKSMRNUEGI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)cc(C(N)=O)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSZUAGOFAGOBFJ-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccc(C(F)(F)F)cc2)c(=O)oc2cc(OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWAFLHGWFHHIQ-SAABIXHNSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3c(C#N)c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBDPBLSYCPOHV-KOMQPUFPSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3c(Cl)c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTGECUAYINVQK-SAABIXHNSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYOWDVRTOXVUFK-KOMQPUFPSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3c(C(F)(F)F)c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKXQQQRGZKXEK-KOMQPUFPSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3c([N+](=O)[O-])c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEPVWUQMPAGVEX-JCNLHEQBSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3c(C(=O)OC)c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFHSVKAOKGMIJG-JCNLHEQBSA-N", "SMILES:CNC(=O)c1c[nH]c2c(C(=O)N[C@H]3CC[C@H](OCCOC)CC3)cc(-n3ccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSUCSFOUEJWINM-SAABIXHNSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3c(C(=O)N(C)C)c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHQNDGDNTWUDP-KOMQPUFPSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3c(C(N)=O)c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEEMIOXCMWBNOH-SAABIXHNSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3c(CO)c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKPFQTZKBOJHX-CPONINCNSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3c(C(C)O)c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJOOHRDOZNVFFG-UAPYVXQJSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3cnc(C)c3)cc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVXHVBSXUACEGG-IYARVYRRSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cn[nH]c3)cc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISSQLXAYCGYKHE-JCNLHEQBSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3cncn3)cc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTDNAHBMNKSCH-SHTZXODSSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[nH]3)cc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWNZKVWSYAYVEH-QAQDUYKDSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)cc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQULAARMNGEPQ-MEMLXQNLSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3ccccc3)cc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKHJASQUYGYSZ-MXVIHJGJSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cccnc3)cc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLFTGSNVAQKOA-HDJSIYSDSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)nc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCFRPHKZQVEFJ-SHTZXODSSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2nc(-c3cncs3)cc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HICGGWXCFJIXDR-JCNLHEQBSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3cn[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUBEQJJJJLROH-IUJVBWKQSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)C2=CC(c3cncs3)=CC3NC(=O)NC23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKVDPAQLSFMJRS-WKILWMFISA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)cc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNRVUUNFXQFNV-QAQDUYKDSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)cc3c2ccn3C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGGGRVZEOJMGMP-QAQDUYKDSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)cc3[nH]cc(C#N)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFDWROROCBUNJ-HDJSIYSDSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)c(F)c3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUVJFMVGYBBDKN-HDJSIYSDSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)nc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SACZJKLECHVYGF-JOCQHMNTSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2nc(-c3cncs3)nc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKPFMOGBPQGPGP-SHTZXODSSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)nc3c2ccn3C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILCHEDRZSULZJJ-WKILWMFISA-N", "SMILES:CCn1ccc2c(C(=O)N[C@H]3CC[C@H](OCCOC)CC3)cc(-c3cncs3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRHNZOFCLPOVAK-QAQDUYKDSA-N", "SMILES:COCCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)cc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQCAYMDRPPADKW-JCNLHEQBSA-N", "SMILES:COCCO[C@H]1CC[C@H](CNC(=O)c2cc(-c3cncs3)cc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBMLOZKPMUPDMZ-UHFFFAOYSA-N", "SMILES:COCCOC12CCC(NC(=O)c3cc(-c4cncs4)cc4[nH]ccc34)(CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMGKDNWNDGNPP-GJZGRUSLSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3cncs3)cc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIBWCAURLDZRGB-HDJSIYSDSA-N", "SMILES:COCCO[C@H]1C[C@H](NC(=O)c2cc(-c3cncs3)cc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXKJBJKBKUXAU-JOCQHMNTSA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1cc(-c2cncs2)cc2[nH]ccc12"]}
{"name": "ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL3425388"], "id": "UniProtKB:P56528", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1", "xref": ["CHEMBL.TARGET:CHEMBL5169163"], "id": "UniProtKB:Q64244", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYUSEDTFNUHSK-UHFFFAOYSA-N", "SMILES:CCCc1nn(C2CCC(F)(F)CC2)c2ccc(C(=O)O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSMWXZHQVTDRU-UHFFFAOYSA-N", "SMILES:Cn1cc2c3cc(C(=O)O)ccc3n(-c3ccc(C(F)(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDJXXKZYCUTJC-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2cn(C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDQKDAKAFXTENK-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2nccnc2Nc2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAZUPSFRSHFTGV-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBEXKSHQMHIUFP-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBEXKSHQMHIUFP-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRTVIQQMJRQLZ-UHFFFAOYSA-N", "SMILES:Cc1nccnc1-c1nn2c(=O)cc(-c3ccc(C4CCCCC4)cc3)[nH]c2c1C(=O)N1CC(CF)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOUGXIZAHWLQEM-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)C2CCNCC2)cnn1-c1ccc(OC(F)(F)F)cc1"]}
{"name": "Serine protease inhibitor A3N", "xref": ["CHEMBL.TARGET:CHEMBL5169184"], "id": "UniProtKB:Q91WP6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOPAOSASCVPWOX-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(CN(C)C(C)Cc3ccccn3)c(C)c2c1.O=C(O)CC(O)(CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUQFAKPITJAIAL-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)c2ccc[nH]2)cnn1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPVCLPRMEPSCKW-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)c2ccc[nH]2)cnn1-c1ccc(F)cc1F"]}
{"name": "Major prion protein", "xref": ["CHEMBL.TARGET:CHEMBL3698"], "id": "UniProtKB:P04925", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGODHYWQAXDKTG-FZNQNYSPSA-N", "SMILES:C[C@H]1CC[C@@H](NC(=O)c2cc3cccnc3n(CCCCF)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRANXCAUYRGNO-LMTLIKQPSA-N", "SMILES:C[C@H]1CC[C@@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRANXCAUYRGNO-VVOJOOEHSA-N", "SMILES:C[C@H]1CC[C@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZUTBHXIWDQQV-LMTLIKQPSA-N", "SMILES:C[C@H]1CC[C@@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3cccc(F)c3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZUTBHXIWDQQV-VVOJOOEHSA-N", "SMILES:C[C@H]1CC[C@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3cccc(F)c3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWKNNVSPNNEUQY-UEDWGHLCSA-N", "SMILES:C[C@H]1CC[C@@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3ccccc3F)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFVJPUISFOQVMX-RHNCMZPLSA-N", "SMILES:C[C@H]1CC[C@@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(CCCF)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFVJPUISFOQVMX-RZDIXWSQSA-N", "SMILES:C[C@H]1CC[C@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(CCCF)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTSDTJJBUHNCS-UWUNEBHHSA-N", "SMILES:C[C@H]1CC[C@@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(CCCCF)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTSDTJJBUHNCS-RUCARUNLSA-N", "SMILES:C[C@H]1CC[C@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(CCCCF)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGMGQXEJNAACZ-UHFFFAOYSA-N", "SMILES:CC1CCC(NC(=O)c2cc3cc(Br)cnc3n(CCCCF)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQDZSZKZKROAOU-UHFFFAOYSA-N", "SMILES:CC1CCC(NC(=O)c2cc3cc(Br)cnc3n(Cc3ccc(F)cc3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITQFEKVCHACAD-OTVXOJSOSA-N", "SMILES:C[C@H]1CC[C@@H](NC(=O)c2cc3cccnc3n(CCCF)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITQFEKVCHACAD-CTYIDZIISA-N", "SMILES:C[C@H]1CC[C@H](NC(=O)c2cc3cccnc3n(CCCF)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPXXJAKLXHNWIT-FZNQNYSPSA-N", "SMILES:C[C@H]1CC[C@@H](NC(=O)c2cc3cccnc3n(CCOCCF)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPXXJAKLXHNWIT-KOMQPUFPSA-N", "SMILES:C[C@H]1CC[C@H](NC(=O)c2cc3cccnc3n(CCOCCF)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOKIWDRENIKBBH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc2cccnc2n(CCCCF)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLXDVVAGNXDIJA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1cc2cccnc2n(CCCCF)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSATRIVFBVSGH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)c1cc2cccnc2n(CCCCF)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLVHFQOOVHCMT-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cccnc2n(CCCCF)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJHGMEVMQSBNIZ-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWFNNCZCICPFZ-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cccnc2n(CCOCCF)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTSJYGUDTAUNHY-GYXHWFHASA-N", "SMILES:Cc1s/c(=N\\C(=O)C2C(C)(C)C2(C)C)n(CCCC[18F])c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVWCSRFVZWMYRD-FMLNDMEQSA-N", "SMILES:COc1cccc2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)cn(CCOCCC[18F])c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1081610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVHVAVIXCVGPY-JVVVGQRLSA-N", "SMILES:CCCCOc1c(O[11CH3])ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHLLTWSYWBSEOC-FLYJJABRSA-N", "SMILES:[2H]C([2H])([18F])C([2H])([2H])C([2H])([2H])OC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(OC)C2)c(OC[C@H]2C[C@@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBEGDHOSWUSCJT-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCCC1)N1C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHRLCQUYVVCIE-UHFFFAOYSA-N", "SMILES:CC(NC(=O)N1C(=O)c2ccccc2S1(=O)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVAQEKOYPDHKAI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1F)N1C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRZVRDYXFMQLNR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNC(=O)N1C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REOVDRBXAOLCDP-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)N1C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUCAKADRDVCUDM-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)N2C(=O)c3ccccc3S2(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKXFNATZPXXXAC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATJDZKUBZKZWLW-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(CNC(=O)N2C(=O)c3ccccc3S2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXASWTOXGYYPEN-RYLHAJFVSA-N", "SMILES:CNCC(=O)N[C@@H]1[C@H](O)[C@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)NCCN)[C@H](C2)O3)O[C@H](C)[C@H]1O.NC(CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKUOGOCWAZEYDB-CPNJWEJPSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL192966", "category": ["biolink:ChemicalEntity"], "name": "FEXARAMINE", "xref": ["InChIKey:VLQTUNDJHLEFEQ-KGENOOAVSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5173282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZALKFXMLPCAQHP-NBVRZTHBSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3C)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQUOZAVCIAOKX-GHRIWEEISA-N", "SMILES:COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3F)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFQUGQAIFHLFAU-GHRIWEEISA-N", "SMILES:COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3Cl)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKCYSOIGJXGKH-GHRIWEEISA-N", "SMILES:COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3C#N)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJJUZKZAOCETD-XSFVSMFZSA-N", "SMILES:CCOC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLRUJFMKLVPOIJ-XSFVSMFZSA-N", "SMILES:CC(C)OC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWLPBBCBMGKJPR-GZTJUZNOSA-N", "SMILES:CCOC(=O)/C=C/c1cc(F)cc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSQFOJALZICZBW-GZTJUZNOSA-N", "SMILES:CC(C)OC(=O)/C=C/c1cc(F)cc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQOHBMZRSOTNX-LDADJPATSA-N", "SMILES:COC(=O)/C=C/c1cc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZZLCBCUYIWFJG-CPNJWEJPSA-N", "SMILES:CCOC(=O)/C=C/c1cc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIDNDIDTEBUEPU-CPNJWEJPSA-N", "SMILES:CC(C)OC(=O)/C=C/c1cc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXVRIZQJHVFCA-XDJHFCHBSA-N", "SMILES:COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQXJHUSXPLDHS-CAPFRKAQSA-N", "SMILES:CCOC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWGZODPWWIQKIS-CAPFRKAQSA-N", "SMILES:CC(C)OC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODTMRHXWEVIDLD-WOJGMQOQSA-N", "SMILES:COC(=O)/C=C/c1ccc(F)c(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGNUPBCULLLNW-XDHOZWIPSA-N", "SMILES:CCOC(=O)/C=C/c1ccc(F)c(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGXILAZJOMGKFV-UDWIEESQSA-N", "SMILES:CN(C)c1ccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc(/C=C/C(=O)OC4CC4)c3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJTTYKHATNTQRZ-LDADJPATSA-N", "SMILES:CN(C)c1ccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc(/C=C/C(=O)OCF)c3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSPAAPFKIEUGH-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(-c3ccc(C)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXZAVUGDTXCGLW-MHWRWJLKSA-N", "SMILES:COC(=O)/C=C/c1cc(F)cc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1565119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQPTOITOZXLBE-QXROXWLYSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVKWDEFHOMJOQR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMANWKZQGPHPN-UBHUSUJASA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)OCCCCCn3cc(CCN)c4ccccc43)CC[C@]3(C)[C@H](C[C@H]4OC(=O)C[C@@H](O)[C@]5(C)[C@@H]4[C@@]3(C)CC[C@H]5C(=C)C)[C@@H]12"]}
{"name": "Rab proteins geranylgeranyltransferase component A 1", "xref": ["CHEMBL.TARGET:CHEMBL5169124"], "id": "UniProtKB:P24386", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUGMDQKVDVGOQ-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUPFZSXLRZEBDW-UHFFFAOYSA-N", "SMILES:Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONITDZDOWUETL-UHFFFAOYSA-N", "SMILES:Fc1cc(Cl)ccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFYVEUUYEDUNLC-UHFFFAOYSA-N", "SMILES:Fc1ccc(N2CCN(Cc3cc(C(F)(F)F)cn4c(CC5CC5)nnc34)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBSALDEUVKOGG-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2c(cnn2CC2CC2)c1C(F)(F)F)N1CCN(c2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYPBLFWWKTTZTR-UHFFFAOYSA-N", "SMILES:Fc1ccccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBAUFRJUDRSAF-LLMOLCOVSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCC(=O)NCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H]4CSCCC(=O)N5CN6CN(C5)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc5cccc7ccccc57)NC(=O)[C@@H]5CCCN5C4=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@H](C(N)=O)CSCCC6=O)nn3)C(N)=O)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)NC([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTEQGRQRLWDRRP-LQLJQPJSSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](CNC(=O)CCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)N[C@H]4CSCCC(=O)N5CN6CN(C5)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc5cccc7ccccc57)NC(=O)[C@@H]5CCCN5C4=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@H](C(N)=O)CSCCC6=O)nn3)C(N)=O)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)NC([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTLNVSRQLUUNCK-UOVMZEQOSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC1=O)C(=O)CCSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCCNC(=O)CCc1cn(CCOCCOCCOCCOCCOCCC(=O)N[C@H]3CSCCC(=O)N4CN5CN(C4)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc4cccc6ccccc46)NC(=O)[C@@H]4CCCN4C3=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](C(N)=O)CSCCC5=O)nn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKQHGYSQDCAMA-LOQPARPLSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCCNC(=O)CCc3cn(CCOCCOCCOCCOCCOCCC(=O)N[C@H]4CSCCC(=O)N5CN6CN(C5)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc5cccc7ccccc57)NC(=O)[C@@H]5CCCN5C4=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@H](C(N)=O)CSCCC6=O)nn3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)C(=O)CCSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSHLYRKVAIQTQB-QPMFCGJUSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCCNC(=O)CCc3cn(CCOCCOCCOCCOCCOCCC(=O)N[C@H]4CSCCC(=O)N5CN6CN(C5)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc5cccc7ccccc57)NC(=O)[C@@H]5CCCN5C4=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@H](C(N)=O)CSCCC6=O)nn3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)C(=O)CCSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSNUQRGVHJZFC-RANFTAKUSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](CNC(=O)CCc3cn(CC(=O)N[C@H]4CSCCC(=O)N5CN6CN(C5)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc5cccc7ccccc57)NC(=O)[C@@H]5CCCN5C4=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@H](C(N)=O)CSCCC6=O)nn3)C(N)=O)NC1=O)C(=O)CCSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWZCXKHRLBIBY-OZQITTQJSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC1=O)C(=O)CCSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCCNC(=O)CCc1cn(CCOCCOCCOCCOCCOCCC(=O)N[C@H]3CSCCC(=O)N4CN5CN(C4)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]4CCCN4C3=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](C(N)=O)CSCCC5=O)nn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWBNDYWMPMCQQ-IJSIWUGASA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC1=O)C(=O)CCSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCCNC(=O)CCc1cn(CCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H]3NC(=O)[C@H](Cc4cccc5ccccc45)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(C)=O)CSCCC(=O)N4CN5CN(C4)C(=O)CCSC[C@H](NC3=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](C(N)=O)CSCCC5=O)nn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYDZPXNVHXJHBG-UHFFFAOYSA-N", "SMILES:Cl.NOCc1ccccc1"]}
{"name": "Alanine--glyoxylate aminotransferase", "xref": ["CHEMBL.TARGET:CHEMBL5169121"], "id": "UniProtKB:P21549", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSOKLAPGVHYYPY-UHFFFAOYSA-N", "SMILES:Cl.NOCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGAZMVOQCQJIG-UHFFFAOYSA-N", "SMILES:COc1cccc(CON)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHEZQYZJFCIQQA-UHFFFAOYSA-N", "SMILES:COc1ccc(CON)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPGPSYLXKUYNEB-UHFFFAOYSA-N", "SMILES:Cl.NOCc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNDOVGYWWHJBB-UHFFFAOYSA-N", "SMILES:Cl.NOCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIFDVZZLHVXUHV-UHFFFAOYSA-N", "SMILES:Cl.NOCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNNRJZCIGYOOW-UHFFFAOYSA-N", "SMILES:Cl.NOCc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBWBUEQJIPSFEX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CON)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSBWIXKKLSGJFJ-UHFFFAOYSA-N", "SMILES:Cl.NOCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGQEAKPJRVVHY-UHFFFAOYSA-N", "SMILES:Cl.NCOc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKFBBPLZRDGFU-UHFFFAOYSA-N", "SMILES:NOCc1cccc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNNKXOBZWSWOTA-UHFFFAOYSA-N", "SMILES:NOCc1cccc(N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOAUXHJPCALCEF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(CON)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIOKUIVETKFPBQ-UHFFFAOYSA-N", "SMILES:NOCc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYGWKXBLNVWIP-UHFFFAOYSA-N", "SMILES:NOCc1cccc(-c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGMZRSJRFHHSW-UHFFFAOYSA-N", "SMILES:NOCc1cccc(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMXCGSFDRVZKL-UHFFFAOYSA-N", "SMILES:NOCc1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLFSJUWNGPMKH-UHFFFAOYSA-N", "SMILES:NOCc1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMUDNULUYKBGM-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(CON)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WINMLZWYPTWRES-ILXRZTDVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSXCZWZQIYCSO-DNUNIWOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZGIJQWFIUBKB-VZVHPENPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYGKQTMULZFMLM-VZVHPENPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDJAILYVFVKDFA-DNZIZEQUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFWQIPNOMDXPJ-FYQPLNBISA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWHBSKDVGKARU-BHSUFKTOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCOc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNUEFGGCSNMHU-XWINOZFQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCOc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBYNWRKJSAGRFG-SBFWRKJZSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCOc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPHQKYQWQLYSDS-DNZIZEQUSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCOc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXYVFLSKRTUFAE-VZVHPENPSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)COc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYJAZIKQEIQCOG-VZVHPENPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCOc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLJOJDZTQMFQG-SBFWRKJZSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCOc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNIKFLYSPBYGSY-VZVHPENPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCOc1cccc(O)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIDCKWXDZHBBDY-XBJMDHIQSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCOc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYPBOWQWFVVJD-AXJZPPOTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCOc1ccccc1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELONQVCEFPRGM-DNZIZEQUSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCOc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHYCZFIGZSESIE-SBFWRKJZSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCOc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOYLLCQBCBXHF-GIQJJWITSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)COc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYLPALWYNDFHN-TXKDVJNZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUGLBWIDGRJLB-XAUNCYBDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBRZDDOAVYLJY-OFGRGEMESA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC[C@@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLMZUVREWIOLY-HYJFEMIMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBXSBMCHIRXXKX-LXZJYRNTSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUHLLUJTZMKMH-XBZUYWNMSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPZIFKCURPXCJ-HZEGPAAWSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CNCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLTMYYQEAJDPSU-GBAJDQEWSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CNC(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKYXMZTDFKYBR-ANZJIFDASA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCNCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRHLZJHLVAMAH-SWUCNREESA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCNC(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZGVKQMRVQDPK-GBAJDQEWSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCNCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWAJSJPXWWVLF-SWUCNREESA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCN(C)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COMBCDCRFAXRAT-QDXQZTBOSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NCC[C@@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZILOINZZGFDOLE-AMNZSHNSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCN[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQHQMRKUBNIKT-PMPSAXMXSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFWHTLSVKCBXCS-ANZJIFDASA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC(=O)NC(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWGJMWHSNQUWKR-GFCCVEGCSA-N", "SMILES:COc1cc2cnnc(N[C@H](C)c3ccccc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOFPCYTTPOYRD-CQSZACIVSA-N", "SMILES:COc1cc2cnnc(N[C@H](C)c3cccc4ccccc34)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBDBWRMOHLKOZ-LLVKDONJSA-N", "SMILES:COc1cc2cnnc(N[C@H](C)c3cccc(C(F)(F)F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDYNQLMIBCGYNX-CYBMUJFWSA-N", "SMILES:COc1cc2cnnc(N[C@H](C)c3ccccc3C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZGCUSRTDSOYLS-GFCCVEGCSA-N", "SMILES:COc1cc2cnnc(N[C@H](C)c3cccc(C(F)(F)F)c3C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGASTYGBBQOMO-OAHLLOKOSA-N", "SMILES:CNCc1ccccc1-c1csc([C@@H](C)Nc2nncc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHTFECZVBNGIPH-MRXNPFEDSA-N", "SMILES:CNCc1ccccc1-c1csc([C@@H](C)Nc2nnc(C)c3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBSWOCYZRTIPB-CYBMUJFWSA-N", "SMILES:Cc1c([C@@H](C)Nc2nnc(C)c3ccc(N(C)C)cc23)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSKXOIIHARCLW-OAHLLOKOSA-N", "SMILES:Cc1c([C@@H](C)Nc2nnc(C)c3ccc(N4CCNCC4)cc23)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXBYORCBPMNPL-OAHLLOKOSA-N", "SMILES:Cc1c([C@@H](C)Nc2nnc(C)c3ccc(C4CCNCC4)cc23)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCHCXFHSLLVRGA-OAHLLOKOSA-N", "SMILES:Cc1c([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C)C(=O)C4)cc23)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXWSVASPJVKAPC-CQSZACIVSA-N", "SMILES:Cc1c([C@@H](C)Nc2nnc(C(F)(F)F)c3ccc(N4CCNCC4)cc23)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMGVXVDCZLOVLV-OAHLLOKOSA-N", "SMILES:COc1nnc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(N3CCNCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WERDBPJZHBUOBK-MRXNPFEDSA-N", "SMILES:Cc1c([C@@H](C)Nc2nnc(N(C)C)c3ccc(N4CCNCC4)cc23)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZBHPSUWLVVZOB-CQSZACIVSA-N", "SMILES:Cc1c([C@@H](C)Nc2n[nH]c(=O)c3ccc(N4CCNCC4)cc23)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVOIJMLGMBLWCM-OAHLLOKOSA-N", "SMILES:Cc1c([C@@H](C)Nc2nn(C)c(=O)c3ccc(N4CCNCC4)cc23)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJPGJXQUOQMWSL-CQSZACIVSA-N", "SMILES:Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CCNCC4)cc23)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKWFDZPCFOPRML-CQSZACIVSA-N", "SMILES:Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJYZPKAGJRUOU-GFCCVEGCSA-N", "SMILES:Cc1nnc(N[C@H](C)c2cccc(C(F)(F)F)c2F)c2cc(N3CCOCC3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLJMRAGLYTMGG-CYBMUJFWSA-N", "SMILES:Cc1nnc(N[C@H](C)c2cccc(C(F)(F)F)n2)c2cc(N3CCOCC3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBQYGYBRSJLUIO-GFCCVEGCSA-N", "SMILES:Cc1nnc(N[C@H](C)c2cc(N)cc(C(F)(F)F)n2)c2cc(N3CCOCC3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVSYAGHUCOXLY-CQSZACIVSA-N", "SMILES:Cc1ncccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMUCKKOQQOPAH-GFCCVEGCSA-N", "SMILES:Cc1nn(C)cc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRLGRVNVGBZJTE-LLVKDONJSA-N", "SMILES:Cc1nnc(N[C@H](C)c2cn(C)nc2C(F)(F)F)c2cc(N3CCOCC3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWUJTSVDIXXNS-CQSZACIVSA-N", "SMILES:Cc1c(Br)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192659", "category": ["biolink:ChemicalEntity"], "name": "MRTX-0902", "xref": ["InChIKey:ILPWEAHQRAWJIU-OAHLLOKOSA-N", "SMILES:Cc1c(C#N)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12"], "synonym": ["Mrtx-0902", "Mrtx0902"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIEKGDZPZNXAAB-OAHLLOKOSA-N", "SMILES:Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)cccc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OESPAJDWDOVVTN-CQSZACIVSA-N", "SMILES:Cc1nnc(N[C@H](C)c2cccc(C#N)c2)c2cc(N3CCOCC3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSJUVOHWRQBOE-OAHLLOKOSA-N", "SMILES:Cc1c(C#N)cccc1[C@@H](C)Nc1nnc(C)c2cc(F)c(N3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXMCSCGVGFZND-OAHLLOKOSA-N", "SMILES:Cc1c(C#N)cccc1[C@@H](C)Nc1nnc(C)c2cc(Cl)c(N3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHDMXAHPBARLX-MRXNPFEDSA-N", "SMILES:Cc1c(C#N)cccc1[C@@H](C)Nc1nnc(C)c2cc(C#N)c(N3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBGCTZZRWSNPA-OAHLLOKOSA-N", "SMILES:Cc1c(C#N)cccc1[C@@H](C)Nc1nnc(C)c2cc(C(F)(F)F)c(N3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUSQYYGPLOUGJB-GFCCVEGCSA-N", "SMILES:COc1cc2c(C)nnc(N[C@H](C)c3cccc(C(F)(F)F)c3C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBOURNZVJVAEB-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2cc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZYSHDIGSARJBF-UHFFFAOYSA-N", "SMILES:c1cc2oc(NC3CCCC3)nc2cc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPEPXRQLELCQIB-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nc3cc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIJXRYUPAEHMG-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CNc2nc3cc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJGOLMLTQZUCGG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc3cc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMBAVLSZKEABX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CNc2nc3cc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBXKPXMMUWJRI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNc2nc3cc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGKSSMNLGCNESD-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(CNc2nc3cc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMWVYGOTMBHYAF-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(CNc2nc3cc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLDHIIWXUBHNJN-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2nc(-c3ccc4oc(N)nc4c3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACOIBGGQHXTAG-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2nc(-c3ccc4oc(N)nc4c3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPYNJLWLFKFID-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2nc(-c3ccc4oc(N)nc4c3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPZGWHPROWFKH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(c2nc(-c3ccc4oc(N)nc4c3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMWSLIINLHIOW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4oc(N)nc4c3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLLCGGVEKGQRC-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUPWYVDHSGXHL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOSZNUDVEVETLL-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4nc(N)sc4c3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWFJZZJMMMVMP-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(-c3nc(N4CCOCC4)nc(N4CCC(C(F)(F)F)CC4)n3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGDVAQBSNIUMPI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2nc(-c3ccc4nc(N)sc4c3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSQGSGJTZNGRW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNc2nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOQNSAZUXOBMAX-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZZPBNVCBOOKN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2cc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVUUGIKTNWLNMN-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKSKNBGONZSNR-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2o1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKRYJBSPALOIN-UHFFFAOYSA-N", "SMILES:CN(C)c1nc2cc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQZHOMYCJCNENI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CNc2nc3cc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXQEEOXTNCAQC-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc2cc(-c3nc(N4CCNCC4)nc(N4CCOCC4)n3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGFRLHMUNXNOJU-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nc(NC4CCOCC4)nc(N4CCOCC4)n3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKUDJWVKYMADV-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nc(NC4CCC(C(F)(F)F)CC4)nc(N4CCOCC4)n3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJOVTSOEGPSDI-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nc(Nc4cccc(C(F)(F)F)c4)nc(N4CCOCC4)n3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKLDAFLDOWXEFH-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cn(CCCc2cn(CCCCCn3c(C)c(Br)cc(C(=O)NC4CCCCCC4)c3=O)nn2)c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKYDUKDWTNBMQD-UHFFFAOYSA-N", "SMILES:Cc1nc(OCCCCCn2cc(CCCn3cc(Br)c(C)c(NC(=O)C4CCCCCC4)c3=O)nn2)c(C(=O)NC2CCCCCC2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDBKRHSAVZSSQ-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cn(Cc2cn(CCCn3c(C)c(Br)cc(C(=O)NC4CCCCCC4)c3=O)nn2)c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVYCEOKSLCHODE-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cn(CCCc2cn(CCCn3c(C)c(Br)cc(C(=O)NC4CCCCCC4)c3=O)nn2)c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEVNGCKYUTVARZ-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cn(Cc2cn(CCCCCn3c(C)c(Br)cc(C(=O)NC4CCCCCC4)c3=O)nn2)c(=O)c1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCCMYBKAZCDQGX-LZYBPNLTSA-N", "SMILES:COc1cc(-c2n[nH]c3ccc(/C=C(\\C#N)C(=O)NC(C)(C)CO)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBACTZXZNFJQGT-KPKJPENVSA-N", "SMILES:N#C/C(=C\\c1cccc(-c2ncnc3[nH]ccc23)c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHRLFCUDVVEOCQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2ccc3ncncc32)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZXKZNWMHCMPD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cl)nc1-n1ccc2ncncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPVLMCYPWKNBD-UHFFFAOYSA-N", "SMILES:Clc1ccnc(-n2ccc3ncncc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCPRBGMFLEHRJ-UHFFFAOYSA-N", "SMILES:Clc1ncc(Cl)c(-c2c[nH]c3ncncc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZVKJKCCHKCFTH-UHFFFAOYSA-N", "SMILES:Clc1ncc(Cl)c(-n2ccc3ncncc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STWMVHZNUMMHCC-UHFFFAOYSA-N", "SMILES:Clc1ncc(Cl)c(-c2c[nH]c3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKHXCTJHIZNFNF-UHFFFAOYSA-N", "SMILES:c1cnc2ccn(-c3ccncn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMKPULAJOBZLIC-UHFFFAOYSA-N", "SMILES:c1cnc(-n2ccc3ncccc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZXTXGSIDXPGI-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(-n2ccc3ncccc32)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSYJNMAHHYADQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(-n2ccc3ncccc32)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNVVUPSBGLECA-UHFFFAOYSA-N", "SMILES:Clc1ccnc(-n2ccc3ncccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNQQIXFVOPSLF-UHFFFAOYSA-N", "SMILES:Cc1cnc(Cl)nc1-n1ccc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHIRVRUVHSLFM-UHFFFAOYSA-N", "SMILES:Fc1cnc(Cl)nc1-n1ccc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRQHJPVCCCFBP-UHFFFAOYSA-N", "SMILES:Clc1nccc(-n2ccc3ncccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSKGKWDTOGCJAL-UHFFFAOYSA-N", "SMILES:CSc1ncc(Cl)c(-n2ccc3ncccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJLFEDYDAWUGY-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(Cl)c(-n2ccc3ncccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDJEJUMGXEYFM-UHFFFAOYSA-N", "SMILES:Clc1cnc(Br)nc1-n1ccc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRGJDDDUYMQMC-UHFFFAOYSA-N", "SMILES:Fc1ncc(Cl)c(-n2ccc3ncccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDOFWSIEUCNLCP-UHFFFAOYSA-N", "SMILES:Clc1cncnc1-n1ccc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBGCWMXCIHNWOI-UHFFFAOYSA-N", "SMILES:Clc1ncc(Cl)c(-n2ccc3ncccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSZVVLDJLHIOHV-UHFFFAOYSA-N", "SMILES:Clc1ncc(Br)c(-n2ccc3ncncc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIPNCGOFBSEGZ-UHFFFAOYSA-N", "SMILES:c1cc(-n2ccc3cnccc32)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZNATOWAPNYBM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)c1sc(=S)n2c1[nH]c(=O)c1cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNNPAFDYRLETBW-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(N)(=O)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3986031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPNCQXMOMKSOR-UHFFFAOYSA-N", "SMILES:COCCNS(=O)(=O)c1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFDKHTUJTYFRFG-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCC(=O)O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBASOQVZUDOLDO-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCCS(=O)(=O)O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCMWNZEQUNHDX-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCCP(=O)(O)O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWJSKDLFYUFZLF-ZGMNTDJNSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWJSKDLFYUFZLF-TZSPXAHUSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@@H](c2cccc(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWJSKDLFYUFZLF-FYIGHOIKSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYHTNOHKPVFNR-QFIPXVFZSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCOCCN)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYDODGFZAGSCV-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZINBWWCZGRBRS-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)C(O)C(O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCOGGRDTJHDYTB-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)C(O)C(O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXPHYRSXOCUEY-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCNC(=O)C(O)C(O)NCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZXKISAMAIKCHU-JLTGMVMASA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCNC(=O)C(O)C(O)NCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRHAUEWLDCMDAJ-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)C(O)C(O)NCCOCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFILQZMXPDPFY-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCNC(=O)C(O)C(O)NCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZINBWWCZGRBRS-BUVKJZGLSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)C(O)C(O)NCCOCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZINBWWCZGRBRS-VHPPFZBMSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@@H](c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(O)C(O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZATJZWHZOUID-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)c3ccc(C(=O)NCCOCCOCCOCCNS(=O)(=O)c4cccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)c4)cc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3908998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNIFQOPNUJPDY-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)c3ccc(C(=O)NCCOCCOCCOCCNS(=O)(=O)c4ccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)cc4)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFMICNRYYAEKQ-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZDBZWJIQUUFBJ-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZESMUYYMRRNLE-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKBRZFUUFGQJK-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJSMGSWWUKIIO-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGLEALKBGCSAC-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZELWSNMQBCKLQN-MVRBIKRMSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)NCCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZUDFYJYAGEEMC-ZYBCLOSLSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)Nc3ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c4cccc([C@@H]5CN(C)Cc6c(Cl)cc(Cl)cc65)c4)cc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3304485", "category": ["biolink:ChemicalEntity"], "name": "TENAPANOR", "xref": ["InChIKey:DNHPDWGIXIMXSA-CXNSMIOJSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"], "synonym": ["Tenapanor", "Tenapanor", "Khk7791", "Tenapanor", "AZD-1722", "KHK-7791", "Tenapanor component of rdx-013", "Tenapanor component of rdx013", "Tenapanor"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5202068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWBSVPMYCBVAF-COCZKOEFSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOEUFIGPLAGCMD-COCZKOEFSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFMICNRYYAEKQ-CXNSMIOJSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"]}
{"name": "Sodium/hydrogen exchanger 3", "xref": ["CHEMBL.TARGET:CHEMBL3879842"], "id": "UniProtKB:P26433", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHIXKUDRYQFGKB-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)c3ccc(C(=O)NCCOCCOCCNS(=O)(=O)c4cccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)c4)cc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGXRRRNBUEJRN-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCNC(=O)c3ccc(C(=O)NCCOCCOCCNS(=O)(=O)c4ccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)cc4)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGLYPVFGKAWJET-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)Nc3ccc(NC(=O)NCCOCCOCCOCCNS(=O)(=O)c4cccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)c4)cc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZUDFYJYAGEEMC-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)Nc3ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c4cccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)c4)cc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNHPDWGIXIMXSA-UHFFFAOYSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5205574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJTANWCXDGQBBZ-QGZVFWFLSA-N", "SMILES:COCCCOc1cc(CN(C(=O)[C@@H]2CCCNC2)C2CC2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXMKCWJEXYMJQU-MRXNPFEDSA-N", "SMILES:COCCCOc1cc(CN(C(=O)[C@@H]2CCNC2)C2CC2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZBIKFBHOIUTGI-LJQANCHMSA-N", "SMILES:COCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIYFKIWUMFKGU-LJQANCHMSA-N", "SMILES:COCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3699636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKWFPHRFQPVMA-JOCHJYFZSA-N", "SMILES:COCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTFAWOGDENVOCF-HXUWFJFHSA-N", "SMILES:COCCCn1ccc2ccc(CN(C(=O)[C@H]3CNCCO3)C3CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQAXCBONYOUCY-HXUWFJFHSA-N", "SMILES:COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2c(C)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZSAXEDJYZPWBQ-OAQYLSRUSA-N", "SMILES:COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2cc(C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPWYLXUUEWIMPI-OAQYLSRUSA-N", "SMILES:COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHDTGKXHAZDKM-HXUWFJFHSA-N", "SMILES:COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2cccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHELVELDNLQVJI-UHFFFAOYSA-N", "SMILES:COCCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYDHVKNCKPEON-UHFFFAOYSA-N", "SMILES:COCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHUYJZKQBPLPDK-UHFFFAOYSA-N", "SMILES:COCCCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXRBQNWADWXMHL-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPWZZBPFRFZBX-UHFFFAOYSA-N", "SMILES:COC(=O)NCCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDMLWLLMFAABT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(Oc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHXWHSTPGNHKE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(NC(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTHRDWMJSRGSFF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(OC(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHPSDEHZZIGCHB-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(NC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJYRMTULDMAGC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(OCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEGFQOMNZVNANA-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(NCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBHVYCHJAJAOO-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(Nc3c4c(cc5c3CCC5)CCC4)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIINVMYOGPUTN-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(Nc3c4c(cc5c3CCC5)CCC4)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CANAEJUQBGZTLR-UHFFFAOYSA-N", "SMILES:O=c1cc[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIVLCYWKTPDPQZ-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)n2nc(Nc3c4c(cc5c3CCC5)CCC4)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDJPZVCAJVBGHZ-UHFFFAOYSA-N", "SMILES:COCCc1cc(=O)n2nc(Nc3c4c(cc5c3CCC5)CCC4)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBZWSSMQKISXSU-UHFFFAOYSA-N", "SMILES:O=c1cc(Cc2ccccc2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJWPOKJMSCWKL-UHFFFAOYSA-N", "SMILES:O=c1cc(CCc2ccccc2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXHQYBCLILEJJ-UHFFFAOYSA-N", "SMILES:O=c1cc(C2CCOCC2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSTGGGHUZGMPSY-UHFFFAOYSA-N", "SMILES:CN1CCCC(c2cc(=O)n3nc(Nc4c5c(cc6c4CCC6)CCC5)nc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCHRJUHUDIEMOK-UHFFFAOYSA-N", "SMILES:O=c1cc(CC2CCCCC2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGYSPQPVVOVKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cc(=O)n3nc(Nc4c5c(cc6c4CCC6)CCC5)nc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWHIQPWISHPQD-UHFFFAOYSA-N", "SMILES:O=c1cc(Cc2cccc(Cl)c2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZLZUBFINZIXHM-UHFFFAOYSA-N", "SMILES:O=c1cc(Cc2ccc(Cl)cc2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEXQNSTCQVXBK-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cc2cc(=O)n3nc(Nc4c5c(cc6c4CCC6)CCC5)nc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQJMXWCQNCVAHW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cc2cc(=O)n3nc(Nc4c5c(cc6c4CCC6)CCC5)nc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSFNAEJDADBITE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cc1cc(=O)n2nc(Nc3c4c(cc5c3CCC5)CCC4)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQKOGWMCAAXGOC-UHFFFAOYSA-N", "SMILES:O=c1cc(Cc2ccccc2F)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYYWBOXFIGVBQ-UHFFFAOYSA-N", "SMILES:O=c1cc(Cc2ccccn2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFRTWWGYQXQSA-UHFFFAOYSA-N", "SMILES:O=c1cc(Cc2cccnc2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGPYSDOYCNMAE-UHFFFAOYSA-N", "SMILES:O=c1cc(Cc2ccncc2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLMDCIKHLRHHE-UHFFFAOYSA-N", "SMILES:O=c1cc(Cc2ncccn2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJOUFMFNHGBSV-UHFFFAOYSA-N", "SMILES:O=c1cc(CC2CCOC2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLJGJZZZQSGQZ-UHFFFAOYSA-N", "SMILES:O=c1cc(CC2CCCCO2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPNMAHOHZTYDSQ-UHFFFAOYSA-N", "SMILES:O=c1cc(CC2CCOCC2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEBFONCXLBPKIO-UHFFFAOYSA-N", "SMILES:O=c1cc(CN2CCOCC2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSJAAIDBQRPZFS-UHFFFAOYSA-N", "SMILES:O=c1cc(CC2CNCCO2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOQBZWSLUVHQK-UHFFFAOYSA-N", "SMILES:CN1CCOC(Cc2cc(=O)n3nc(Nc4c5c(cc6c4CCC6)CCC5)nc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJGHOSOBPANHLH-UHFFFAOYSA-N", "SMILES:O=c1cc(CC2COCCN2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYXHJTHUQLVHJV-UHFFFAOYSA-N", "SMILES:CN1CCOCC1Cc1cc(=O)n2nc(Nc3c4c(cc5c3CCC5)CCC4)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTEVTOQOCBWGJB-UHFFFAOYSA-N", "SMILES:Cn1nccc1Cc1cc(=O)n2nc(Nc3c4c(cc5c3CCC5)CCC4)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUQQUUGWBVDFD-UHFFFAOYSA-N", "SMILES:Cn1ccc(Cc2cc(=O)n3nc(Nc4c5c(cc6c4CCC6)CCC5)nc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZPZMWGKQJMOFN-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2cc(=O)n3nc(Nc4c5c(cc6c4CCC6)CCC5)nc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAULZBAEXQAKAP-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cc2cc(=O)n3nc(Nc4c5c(cc6c4CCC6)CCC5)nc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXYTUOPATVEKS-UHFFFAOYSA-N", "SMILES:Cn1cncc1Cc1cc(=O)n2nc(Nc3c4c(cc5c3CCC5)CCC4)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGYMXQCNCCGVRG-UHFFFAOYSA-N", "SMILES:Cc1cc(=S)n2nc(Nc3c4c(cc5c3CCC5)CCC4)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHTLYBBOAZYXBF-UHFFFAOYSA-N", "SMILES:S=c1cc(Cc2ccccn2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDJJCVMHTGJPTQ-UHFFFAOYSA-N", "SMILES:S=c1cc(CC2CCCCO2)[nH]c2nc(Nc3c4c(cc5c3CCC5)CCC4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSFOHURNLGAWDN-ASDNTLDASA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)CCCCN=[N+]=[N-])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTKSWMFFJBQWFS-TYRONVCZSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIIRZWHVKGILK-MVSMKXQYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDHIMBFYJQDFIZ-YZLYSIFOSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFXDXRYRQNEOG-OCBWNBCYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQDGUIPILLCWMN-QTQZEZTPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccc3ccccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGFBEKPJZQJQDD-VGKBRBPRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKQDYIGEWTUDG-WVSUBDOOSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYHYLYNZOHWCCP-NVQRDWNXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3cccnc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGQXYMIMVTUJPT-BGIGGGFGSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3nc(Cl)ccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKEHMZYMDBKRAN-WGQQHEPDSA-N", "SMILES:CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCYSBUBGPYWMH-WTGUMLROSA-N", "SMILES:Nc1ncnn2c([C@@H]3O[C@H](CNS(=O)(=O)c4ccc5ccccc5c4)[C@@H](O)[C@H]3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STIPETWZTMTJFW-WZOSIZDNSA-N", "SMILES:C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2COC3CCC(CC3)c3ccccc3/C=C/OC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHKAUACERUFWPY-UHFFFAOYSA-N", "SMILES:CC1CC(NS(=O)(=O)N(C)C)C2COC3CCC(CC3)c3cccc(c3)OCCOC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVFXYDZOGYLDMS-UHFFFAOYSA-N", "SMILES:CC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3cccc(n3)OCCOC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHGPLEXQYXUKIC-UHFFFAOYSA-N", "SMILES:CC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3cccc(n3)OCCCOC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQKQGEGFPCILBI-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc1C1CCC(CC1)OCC1C(NS(C)(=O)=O)CC(C)N1C(=O)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDQPITWFVUJKR-UHFFFAOYSA-N", "SMILES:CC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3nc(c(F)cc3F)OCCOC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGKXBIQGAKBERA-VFXINDROSA-N", "SMILES:CC(=O)OCC(=O)O[C@@H]1C[C@]2(C(C)C)O[C@@]1(C)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVGYEYLWRMVZCM-XBHLXOTJSA-N", "SMILES:CC(C)=CC(=O)OCC(=O)O[C@@H]1C[C@]2(C(C)C)O[C@@]1(C)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDYXRJAOHCVHG-BEHXIQGFSA-N", "SMILES:CCCCCC(=O)OCC(=O)O[C@@H]1C[C@]2(C(C)C)O[C@@]1(C)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNAGJCFRSDLBJK-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGWKBMWFSPEHE-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSQXKEVSUSRVLZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRYHJDQILXUAK-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccncc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGPSRSLXKNFYDP-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3cccnc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIFKHVYNXCOOCC-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccn3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYUQIJOPGDCEJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3cncs3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USLOZSPSQDARAB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3nccs3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVQOZDJQUXFRSG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccoc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHUCWWLORPYDRA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccco3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMHFLAKRXCSHJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2N=C(c3ccc(NC(=O)OC(C)(C)C)cc3)CC2c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFLPRMTGXUIEP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)CC2c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXIHWXFBSFJSX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccc(C#N)cc3)C(c3ccco3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGRBIWXBKBXLQB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)C(c3ccco3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKCGLMKPRZXTOP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccc(C(F)(F)F)cc3)C(c3ccco3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBXOWMAUDRFFZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccco3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQCSYBMTVJTOHW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)C(c3ccco3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJOIFOSANPRCTO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccc(F)cc3)C(c3ccco3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBAYIVFKLCLXLI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)CC2c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHQHSQJFMGAJJL-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3cccnc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHAHOHHCKQOGPL-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWCWONWFSWXBCW-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBYRVPKAWRQRZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1)OC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJUMKZIPNGXHIF-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQQCCBQHEIZHIS-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSQFLGUMHGGJIA-UHFFFAOYSA-N", "SMILES:C#CCCOC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUTVAUZEJTJBK-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTFMQOHDOGBRLL-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUEZXPXGAIMTGO-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEELNQPSAYNFQC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIEQFODPRMXSOR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUAIJQFKCPQNQN-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZBFLTSXINHWEF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHMLWFYJUQYHRB-UHFFFAOYSA-N", "SMILES:CC1C(c2ccc(NC(=O)OC(C)(C)C)cc2)=NN(C(=O)c2ccc(Br)cc2)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGEHSDZIGZIGQT-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXZDUQMLSMNEE-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOOBWYAYDWCYRQ-UHFFFAOYSA-N", "SMILES:CC1C(c2ccc(N3CCOC3=O)cc2)=NN(C(=O)c2ccc(Br)cc2)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRVKHMUIVRFXHN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTAMQZUTLKGNCM-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFUFTNXUXSJNMO-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Oc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWGYZBAOHPFGU-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKMCQNELDTDGP-DICFDUPASA-N", "SMILES:[2H]C([2H])N1CCC(c2c[nH]c3cccc(O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKMCQNELDTDGP-GBIJOAKOSA-N", "SMILES:[2H]C1([2H])CC(c2c[nH]c3cccc(O)c23)C([2H])([2H])N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTHTTCLMDWCHR-MKQHWYKPSA-N", "SMILES:[2H]C1([2H])CC(c2c[nH]c3cccc(OCc4ccccc4)c23)C([2H])([2H])N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFYDIQKQRVDWLJ-UHFFFAOYSA-N", "SMILES:NC1CCCN(S(=O)(=O)c2cccc3cnccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPOHKNPOBZVTBK-UHFFFAOYSA-N", "SMILES:O=S(=O)(NC1CCNC1)c1cccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBYSUCGTBALOK-UHFFFAOYSA-N", "SMILES:C/N=C(/NC)NC1CCN(c2cc(OC)cc(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHTYQKRMCZUXLU-UHFFFAOYSA-N", "SMILES:NCc1ccc(N2CCNC(=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSILSEAASITEGZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(NC(=N)N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIIUQZUCWLAPV-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N=C(N)N)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRXINWLOORFIP-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNBLIFSAGIHMCH-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(CCCN)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWAWNDFTMJUGN-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(CCNC)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSMRYQUEJCTMHR-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUXHDCRDIQMRI-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(C3CCNCC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKRNSHTQFTFGJ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(C3CCCNC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRCWGRKDKHUUPE-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(C3CCCCN3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFINUMULOOXXTQ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(C3COCCN3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFEBBBYAUQRYMD-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(C3CCNC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQIFWUJYXHOZDA-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(C3(NC(C)=O)CCNC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDTZZRKZXZJYGD-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(C3CCN(C(C)=O)C3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBXPNGJKZPEPH-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(C3CCCN3C(C)=O)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOEDUMNCIACHAF-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(CN3CCOCC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWHYBFBVUSCTHI-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(CN3CCNCC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPWOLTJLFQXSCV-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(NC3CCNCC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYCAHFXOGWMTBZ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(CN3CCC(N)CC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFVNJOVCMRJDBU-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(CN3CCN(C(C)=O)CC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGIZTMPAAINKGM-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2csc(CN3C(=O)CNC3=O)n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMSEJIJWHLYPG-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(C3(N)CCCC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQUKWHNKWEJJD-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(-c2csc(-c3cc[nH]n3)n2)c2c1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYUOGOVRVEDSL-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(-c3cnc[nH]3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWUAUINBVTULOI-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2csc(N3CCNCC3)n2)c1CCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIQSGTMYVPXYRT-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2csc(N3CCNCC3)n2)c1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEVXGFVVUGZYTO-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(-c2csc(N3CCNCC3)n2)c1CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRDOIKMHSZXEOA-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(-c2csc(N3CCNCC3)n2)c2c1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKJSTOKCVFHFV-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(-c2csc(N3CCNCC3)n2)c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEELNGOGFBEYCH-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(-c2csc(N3CCNCC3)n2)c2c1C(=O)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCVACUMTAXEALK-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(-c2csc(NC(=N)N)n2)c2c1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJITSMHAYLRJA-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(-c2csc(NC(=N)N)n2)c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUFEOMHJBVZED-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCN(CC4CCN(CC)CC4)CC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPCBFLUKPVPEM-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCN(Cc4cn(CC(N)=O)nn4)CC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYSDHKMDVDJLFP-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCN(Cc4n[nH]cc4C)CC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFKAQXFFLXWNI-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCN(Cc4c[nH]c5ncncc45)CC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHFWHOLLQLOJG-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCN(Cc4conc4COC)CC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPPSZYHZYMTRC-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCN(Cc4ccnn4CC(C)C)CC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMLXMNVJOHDFQA-UHFFFAOYSA-N", "SMILES:Cc1c[nH]nc1CN1CCN(c2nc(-c3[nH]c(C)c4c3CCCC4=O)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXRWEJRUSEIFH-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(-c2csc(N3CCN(Cc4c[nH]c5ncncc45)CC3)n2)c2c1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORCADTGGNQVNLB-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NC3(c4ncccc4F)CC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQUVJKAYLBTXRD-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NC3(Cc4ccccc4Br)CC3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGZJHFUJKNWRTF-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NCCc3ccno3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDKJRAHBQMDLJJ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NCCc3cc4ccccc4[nH]3)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXNLBIYDIOVKCT-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NCC(F)(F)F)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLGWGNNAEUPERK-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NCC(C)(C)CC)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHIMJWVFLBIRF-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NCCCCO)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDCRBOTMLRQJJ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NCC(N)=O)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKCLYWKGAEBFY-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NCCC(F)(F)F)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHGZRFBKZRICMV-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NC(CO)CO)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQUDHDFGPBAHX-UHFFFAOYSA-N", "SMILES:CCc1c(-c2csc(N3CCNCC3C(=O)NCC(C)(C)C)n2)[nH]c(C)c1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNMURILOSNNJI-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2cnc3cc(-c4nnc(N)s4)ccc32)ccc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDHJZZMIAKRLP-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2cnc3cc(-c4nnc(N)s4)ccc32)ccc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSBVDHCZOVMNDV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ncc3cc(-c4nnc(N)s4)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOUAWQZDVTXNL-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nnc(-c3ccc4[nH]cnc4c3)[nH]2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDDQHTFJWSCMIB-UHFFFAOYSA-N", "SMILES:COc1cccc(CSc2nnc(-c3ccc4[nH]cnc4c3)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZICJRRIMZCEE-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cn2cnc3cc(-c4nnc(N)s4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTNQJWFZNICLJL-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3c(c2)ncn3Cc2ccc(Cl)c(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJHKAGGRAPVBKR-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3c(c2)ncn3Cc2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMESNLGRPUNHNQ-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3c(c2)ncn3Cc2ccc(C(F)(F)F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHFOSNNXNKJXOL-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3c(c2)ncn3Cc2ccc3c(c2)OCO3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLBWSRGSGCWEV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cnc3cc(-c4nnc(N)s4)ccc32)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPNDSGOSXKLDFG-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3c(c2)ncn3Cc2ccc(F)c(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNONANCMNJODEV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnc3cc(-c4nnc(N)s4)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKFGLGCGSWELQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnc3cc(-c4nnc(N)s4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPEFMWKITUBULV-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cnc3cc(-c4nnc(N)s4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVUKRZZLKCUEMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnc3ccc(-c4nnc(N)s4)cc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQXMGLQANXZRP-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVRZABZGDKROM-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3[nH]ncc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVVWJSWBJJLLI-UHFFFAOYSA-N", "SMILES:S=c1nc(-c2ccc3[nH]cnc3c2)[nH][nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSPXJVZHWCWSI-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3[nH]cnc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDWHJRCGUXBRE-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2cnc3cc(-c4nnc(N)s4)ccc32)ccc1OCCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNUSZUYTMHKCPM-UHFFFAOYSA-N", "SMILES:O=c1ccccn1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL52209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUKDWRYJPHUXQR-UHFFFAOYSA-N", "SMILES:Cn1cccc(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEYIMQVTPXPUHA-UHFFFAOYSA-N", "SMILES:O=c1ccocc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1368601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBIKXOBLZWFKM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(O)c2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5183220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBBKYQYNPNMAT-UHFFFAOYSA-N", "SMILES:S=c1[nH]cn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTWDYIRAELZONQ-UHFFFAOYSA-N", "SMILES:Cc1cncn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGIUHSACJDLPZ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cnc3ccc(-c4nnc(N)s4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMIRVPDVGTKKF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnc3ccc(-c4nnc(N)s4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGERNEAKTYGLDS-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3ncn(Cc4ccc(F)c(F)c4)c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFWXLTYNJZODEK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cnc3ccc(-c4nnc(N)s4)cc32)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHIWXYBHYCZQJ-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3ncn(Cc4ccc5c(c4)OCO5)c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJRGNCFMMXWWNW-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3ncn(Cc4ccc(C(F)(F)F)cc4)c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYSXIBAKIWUDN-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3ncn(Cc4ccc(F)cc4)c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMMNGQGTXXBMM-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccc3ncn(Cc4ccc(Cl)c(F)c4)c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRVWVORZRTINM-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cn2cnc3ccc(-c4nnc(N)s4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFLWBXKVOIYRMM-UHFFFAOYSA-N", "SMILES:Cl.O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)c(F)c1Cl)=C2c1ccc(CC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGPDWLTBIWJPX-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1C1=C(c2ccc(CC3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSMHOHCZVRCTFJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)CCCC(c1cccc(Cl)c1C(F)(F)F)=C2c1ccc(CC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRCFUUIZFJWUJD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)CCCC(c1cccc(F)c1C(F)(F)F)=C2c1ccc(CC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFKSAXHKWQPSA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)CCCC(c1cccc(F)c1C(F)(F)F)=C2c1ccc(CC2CN(CCC(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITUUGITXWRHLV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)CCCC(CC1CCC1)=C2c1ccc(CC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APIGQOKYEQLSCD-FKJUYZFESA-N", "SMILES:COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CCl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTVDGZJQUNYXFZ-DKOBCWBOSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COC(=O)c3c(Cl)cccc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBPESUHQMIXLB-JUPXILGHSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIFNKWYGVFDQL-JUPXILGHSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDYGSYXMBOALLW-WHITWSHZSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NC3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMXDKZMUPIRHM-FKJUYZFESA-N", "SMILES:COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCSCOAGMDRJISW-ZUFXTUFISA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)N(C(=O)c3cc4c(OC(F)F)cccc4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARSQROBXWSNPS-UGDFAFBOSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJVUYXPEGURHW-XNPNQNQESA-N", "SMILES:CCC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEWJHDRFOAFFA-KOUJMVCDSA-N", "SMILES:CC(C)C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQDQTRKZQGBQQ-KOUJMVCDSA-N", "SMILES:CC(C)(C)C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDAXXCNMBNTMAB-KKFDQILXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMWRORKEBNNKIS-ZAOLANORSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUUWWTXOJILAMU-UHFFFAOYSA-N", "SMILES:CNc1ncnc2c(C)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEMFNUUOUPBSW-UHFFFAOYSA-N", "SMILES:CNc1ncnc2c(-c3ccccc3)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHXYFPEQCXJJJ-UHFFFAOYSA-N", "SMILES:O=c1cc(C2CC2)[nH]c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCKLNPJUZKFGN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(C2CC2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQAYFKKCNSOZKM-IOSLPCCCSA-N", "SMILES:CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"name": "YTH domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5169187"], "id": "UniProtKB:Q96MU7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKOMXBHMKXXTNW-UHFFFAOYSA-N", "SMILES:CNc1ncnc2[nH]cnc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5179548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDLXXJSRHDATN-UHFFFAOYSA-N", "SMILES:CNc1ncnc2c1ncn2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5170722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSKXLJNKAAXSOE-UHFFFAOYSA-N", "SMILES:CNc1ncnc2c1ncn2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTRMXAARLMLINT-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc2c(NC3CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVWLHFPQGGIAW-UHFFFAOYSA-N", "SMILES:CNc1ncnc2c(Br)[nH]nc12"]}
{"name": "YTH domain-containing family protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5169192"], "id": "UniProtKB:Q9BYJ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "YTH domain-containing family protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5169172"], "id": "UniProtKB:Q7Z739", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKPKSMNOKIFLSN-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)CC(C)C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFLGJZHPDAVXQK-RMKNXTFCSA-N", "SMILES:CNc1nc(C(=O)/C=C/c2ccc(OC)cc2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPPIAVCIUZNQCQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPUAIYIBNDBLI-GNADVCDUSA-N", "SMILES:O=S(=O)(c1ccc(NO)cc1)N(CCOc1ccc2ccccc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JULPVHUTVYBFPK-UHFFFAOYSA-N", "SMILES:Nc1nc2c(ncn2CCN(CCOc2ccc3ccccc3c2)S(=O)(=O)c2ccc(NO)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQCPTJRGSFBDQG-UHFFFAOYSA-N", "SMILES:Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOEUONWWGNITKW-ZSEKCTLFSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)NC1=Cc2[nH]c(Cc3c[nH]c4ccccc34)nc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL306226", "category": ["biolink:ChemicalEntity"], "name": "BENZIMIDAZOLE", "xref": ["InChIKey:HYZJCKYKOHLVJF-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]cnc2c1"], "synonym": ["Benzimidazole", "1h-benzimidazole", "1h-benzo[d]imidazole", "1h-benzoimidazole", "Benzimidazole", "NSC-759"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5178832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUZUNPTZMZOOH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGOSRARLFXYDY-IZGKVKGLSA-N", "SMILES:[O-][S+](NC[C@@H]1CC2O[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)C2O1)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFDNQBXBQOLZDB-KMRXKNKCSA-N", "SMILES:CCC(C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)CC(CCS(C)(=O)=O)C(=O)O)NC[C@@H](N)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXHUEOHJKDONO-BFXVURAASA-N", "SMILES:CCC(C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)CC(CCS(C)(=O)=O)C(=O)OC)NC[C@@H](N)CS"]}
{"name": "GTPase HRas", "xref": ["CHEMBL.TARGET:CHEMBL5169120"], "id": "UniProtKB:P20171", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSALRPOEWOZUAX-KNRWROLGSA-N", "SMILES:CSCC[C@H](CC(=O)[C@H](/C=C\\[C@@H](/C=C/[C@@H](N)CS)C(C)C)Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCODKTVUIEGHO-WOJBJXKFSA-N", "SMILES:COC(=O)[C@H](CCSC)CC(=O)c1cc(CNC[C@@H](N)CS)ccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL351706", "category": ["biolink:ChemicalEntity"], "name": "BMS-214662", "xref": ["InChIKey:OLCWFLWEHWLBTO-HSZRJFAPSA-N", "SMILES:N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1"], "synonym": ["Bms 214662", "Bms-214662"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5201184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZIHCZWEDIUHT-YFJUXBJCSA-N", "SMILES:CC(C)(C)C(=O)N[C@H]1CC[C@@H]2Oc3ccc(-c4cncc(F)c4)cc3C3(CSC(N)=N3)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHZHWZAKWGFQNL-DEOSSOPVSA-N", "SMILES:CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OARRHUQTFTUEOS-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRSCTPKEGYARM-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1c2ccc(=O)cc-2oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBQWSHGCMDNMD-UHFFFAOYSA-N", "SMILES:CCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1178601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRGRFIJPNWJGGI-UHFFFAOYSA-O", "SMILES:C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1178613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDYHLSKVOYFPU-FSJBWODESA-O", "SMILES:CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHKDCUXFKNNMT-ODCIPOBUSA-O", "SMILES:CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCSQKSSLYYSHOM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDBACOKTSIEAAJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELZXWMCYLASJE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUDYCPVBHZBAM-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2CCN(C(N)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTDXKJDPVHBNFM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN(C(=O)CCN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1)c1cn(C)c(=O)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIGWBRVHUPATTH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)N2CCN(CCC(=O)N(Cc3ccccc3F)c3cn(C)c(=O)n(C)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFTFHGFCTBHESE-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)N2CCN(CCC(=O)N(Cc3ccccc3Cl)c3cn(C)c(=O)n(C)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEVWZDLLSSCYLV-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)N2CCN(CCC(=O)N(Cc3ccccc3C(F)(F)F)c3cn(C)c(=O)n(C)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMOQZDCIVMBQX-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)N2CCN(CCC(=O)N(Cc3cccc(C(F)(F)F)c3)c3cn(C)c(=O)n(C)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKFKUSHWUCWDP-HYARGMPZSA-N", "SMILES:O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3nc4ccccc4c(=O)n3-c3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTFJGDBBWXQQCN-UHFFFAOYSA-N", "SMILES:CCC(SC1=Nc2ccccc2C2=NC(C(C)CC)C(=O)N12)C(=O)Nc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPVIWWOVQLNSNQ-UHFFFAOYSA-N", "SMILES:CCC(SC1=Nc2ccccc2C2=NC(C(C)CC)C(=O)N12)C(=O)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRWQNPVXLFYFQ-UHFFFAOYSA-N", "SMILES:CCC(SC1=Nc2ccccc2C2=NC(C(C)C)C(=O)N12)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGXVGCPYIKTJV-UHFFFAOYSA-N", "SMILES:CCC(SC1=Nc2ccccc2C2=NC(C(C)C)C(=O)N12)C(=O)N1CCC2C=CC=CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVJOCQFXIDWBN-UHFFFAOYSA-N", "SMILES:CCC(SC1=Nc2ccccc2C2=NC(CC(C)C)C(=O)N12)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKVFURMNSVKXFK-UHFFFAOYSA-N", "SMILES:CCC(SC1=Nc2ccccc2C2=NC(CC(C)C)C(=O)N12)C(=O)N1CCC2C=CC=CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSXNEFJVZFDGBV-UHFFFAOYSA-N", "SMILES:Cc1cc(C=O)ccc1-c1c2cc(F)c(=O)cc-2oc2cc(O)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYJIAHORHOZJHY-UHFFFAOYSA-N", "SMILES:CCCc1c(C)c2cc3c(C)coc3cc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4099822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGUVFJYVNRVPX-UHFFFAOYSA-N", "SMILES:CCCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXJJMJBXWVJLTL-UHFFFAOYSA-N", "SMILES:Cc1oc2cc3oc(=O)c(C)c(C)c3cc2c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4061563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPTOZJLCWXEGKK-UHFFFAOYSA-N", "SMILES:COC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4083412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKYDEELLDNWAII-AWNIVKPZSA-N", "SMILES:C/C(=N\\O)c1cc2cc(Br)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQFYFNAGNBUGFC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCn2cncn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHLODYGHLUYMDJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(C#N)cc3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCKLYFDWWYCLS-UHFFFAOYSA-N", "SMILES:OCCOc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVGDUQVQWLHVEA-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc4c(=O)ccoc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLUPPCTVKHDVIQ-GASCZTMLSA-N", "SMILES:COc1ncc(-c2cc(-c3ncc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUKGFHHTSUKORV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFDAQNSWGDXBKO-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOLINZYKOLXAC-RBSFLKMASA-N", "SMILES:NC(=O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@H](N5CCOCC5)CC4)c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3361255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSMULWAVKYFPSS-FPCVCCKLSA-N", "SMILES:NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@H](N5CCOCC5)CC4)c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGFZDGFJYXGLAW-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCCCC2)CC3)=C1c1cn2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133342", "category": ["biolink:ChemicalEntity"], "name": "(S)-ROSCOVITINE", "xref": ["InChIKey:BTIHMVBBUGXLCJ-HNNXBMFYSA-N", "SMILES:CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5200578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSFYCTPGOPYGHQ-LJQANCHMSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C(F)(F)F)c1[C@]2(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWRPDHVGMHLSZ-GFCCVEGCSA-N", "SMILES:Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL257834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJQUKUIDCUNAAB-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN1CCC(NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLMJDPXFWRYMLU-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Cc1cccc3[nH]nc-2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOSKATHMXWSZTQ-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSNFUUAMLPYFI-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(O)(Cc1cccc(-c2cccc3oc4ccccc4c23)c1)P(=O)(O)O"]}
{"name": "Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)", "xref": ["CHEMBL.TARGET:CHEMBL4295580"], "id": "UniProtKB:P60472", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOMAHTTWTVBFL-AMPMPRDPSA-N", "SMILES:C[C@]12CC34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL181529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRBBFOWSPXHYQT-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)on2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBLYNSLBGFYKG-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(OCC(=O)O)c(OC)c3)on2)ccc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWBDTJMCLMQEW-QHKWOANTSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(Cc3ccccc3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOCIDQIFWYHLB-QHKWOANTSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3ccccc3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJZQXHVGEHXCJZ-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3ccc([N+](=O)[O-])cc3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUDDNOCVDUSLP-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3ccc(Cl)nn3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIHVFOJVUXCPMF-OIGXVCCLSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3ccc(C)cc3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUBFIKFAGMXBZ-YDWXAUTNSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3ccc(C(C)C)cc3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFBTZOAEBAETTQ-KBXRYBNXSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(C)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXSXWPXKQDHDW-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(CCO)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPVPSYKTHKIHEW-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3cc(Cl)cc(Cl)c3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4239680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSBFCYHGQFBGJ-GVYCEHEKSA-N", "SMILES:C[n+]1c2c(c(N)c3ccccc31)C(=O)/C(=C/c1ccccc1)CC2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQZWOSBAKWDSHL-JHGYPSGKSA-N", "SMILES:C[n+]1c2c(c(N)c3ccccc31)C(=O)/C(=C/c1cccc(F)c1)CC2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4248516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDIBVYGJNSKTD-JHGYPSGKSA-N", "SMILES:C[n+]1c2c(c(N)c3ccccc31)C(=O)/C(=C/c1cccc(Cl)c1)CC2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOLWKNAWWLTNRG-JHGYPSGKSA-O", "SMILES:C[n+]1c2c(c(N)c3ccccc31)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)CC2.I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4237231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPQLPWKZIDHAO-CALJPSDSSA-N", "SMILES:C[n+]1c2c(c(N)c3ccccc31)C(=O)/C(=C/c1cccs1)CC2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCYAENBYIJKXJM-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC(NCCN3CCCC(c4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLPATPCDYFEAO-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCC(CCc2ccccc2)C1)NC1CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATTPPZPYBCAQMG-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCCCNC4CCN(Cc5ccccc5)CC4)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNMSWDGKXGFSW-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCN4CCN(Cc5cccc6c5ccn6Cc5ccccc5)CC4)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRGRGPUOWLHRM-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2ccc3c(N4CCN(CCCCNc5c6c(nc7ccccc57)CCCC6)CC4)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVJWHVGEUVPHDJ-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCNc2c3c(nc4ccccc24)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXHVHPSKKVYDJ-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCCCCNc2c3c(nc4ccccc24)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZVYQPSADQZGR-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCNCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASTJFFNPRWWKNZ-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCCCCNCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZMAIQSMCRYSPZ-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCCCCCNc2c3c(nc4ccccc24)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVDNHBGJIZQKK-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWMMAHKLLHLGN-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCNC2CCN(Cc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEIOHOKVCIYRSS-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCNC2CCN(Cc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIPYCXYRGMQKHP-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCCNC2CCN(Cc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIOIVBRPECJGDP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccn(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVHXYHBMDPWME-HFLPBZFISA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC(C(=O)C(F)(F)F)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDVQJPRFNQTHN-OTKIHZFJSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL21156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDWQCSOSCCWIP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc2c3ccc(F)cc3c3c(=O)[nH]ccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGXPRDVSWGDODG-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Oc2cc(C)cc(O)c2O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL487020", "category": ["biolink:ChemicalEntity"], "name": "CYPERIN", "xref": ["InChIKey:KXXZLMLLYMPYJE-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5204172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYMGZRYMHNWFU-RHBKKXGBSA-N", "SMILES:COC(=O)[C@@]12Oc3ccc(Oc4cccc5c4C(=O)C4=C(O)C[C@H](C)[C@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(=O)C1=C(O)C[C@H](C)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYDKQOPVBDZMQ-XIBZLVKHSA-N", "SMILES:COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(=O)C1=C(O)C[C@H](C)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5207648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJONMPUUAMZPSQ-XIBZLVKHSA-N", "SMILES:COC(=O)[C@@]12Oc3c(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@H](O)[C@]4(C(=O)OC)O5)ccc(O)c3C(=O)C1=C(O)C[C@H](C)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3740350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYDKQOPVBDZMQ-OCHURCMPSA-N", "SMILES:COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(=O)C1=C(O)C[C@H](C)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5200447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMJXRXSEUMGMU-UHFFFAOYSA-N", "SMILES:Cc1[nH]cnc1-c1nccc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKUFUAEVQPEBU-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBUVDDPUURMFOX-MAEOIBBWSA-N", "SMILES:C[C@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IALDYVNFZAPNJV-UHFFFAOYSA-N", "SMILES:COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207503", "category": ["biolink:ChemicalEntity"], "name": "MOBINITINIB", "xref": ["InChIKey:AKJBLKUZXRMECW-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cnc2[nH]1"], "synonym": ["Mobinitinib", "Mobinitinib", "Mobinitinib", "Ep-0042", "Ep0042", "Mobinitinib", "CCT-241736", "CCT241736"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VONSOGLDGDAOBP-WJDWOHSUSA-N", "SMILES:CCN(CC)CCN1Cc2[nH]c(/C=C3\\C(=O)Nc4ccc(I)cc43)c(C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKTNIBQDODXGKX-WJDWOHSUSA-N", "SMILES:CCN(CC)CCN1Cc2[nH]c(/C=C3\\C(=O)Nc4ccc(Br)cc43)c(C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLAPIUVWEXPJFW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)/C(=N\\Nc1nnc3n1N=C(c1ccccc1)CS3)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHQYIDAMCPBPBQ-UHFFFAOYSA-N", "SMILES:N#CC1=C(c2ccccc2)Nc2c(c(-c3cccs3)nn2-c2ccccc2)C12C(=O)Nc1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBZVBNCZHKLZFZ-UHFFFAOYSA-N", "SMILES:N#CC1=C(c2ccccc2)Nc2c(c(-c3cccs3)nn2-c2ccccc2)C12C(=O)Nc1ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYQZNBUXHKGDN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)/C(=N/NC(=O)c1cc3ccccc3[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNJAABLKBXTJG-WSDLNYQXSA-N", "SMILES:CCCn1cc(/C=N/N=C2\\C(=O)Nc3ccc(C)cc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVNQWVMAKTTAG-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cc2cc(Br)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWQXKMJEAHJBX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)/C(=N/NC(=O)c1cc3cc(Br)ccc3o1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJASVBFROATSSH-CRWKAAGYSA-N", "SMILES:O=C(/C=C1\\C(=O)Nc2ccccc21)/C=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3091673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNTZQGZVGAPGQ-JMIUGGIZSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc3c(c1)/C(=C/c1cnc[nH]1)C(=O)N3)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMYYYVPFVHRQOC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Cn4cc(C)nc4CC)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXZIFANRLBZCMF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Cn4cc(C)nc4CC)cc3)ncc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4243975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOHVYEQRIMLENE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCC(=O)N4CCCC4C(=O)OC)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMCOZPHXLROTBV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2CC(n3nc(-c4ccc(C(=O)Nc5ccccn5)cc4)c4c(N)ncnc43)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGNQYUEILDOGP-UHFFFAOYSA-N", "SMILES:Nc1cccc(Cn2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEXLIXXTIOXXEP-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cn2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQCYEPKMQCSTJ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2Cc1cccc(NC(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYIVPRSFFISEB-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)nc1)nn2C1CCCN(C(=O)CCl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSURZKWYYKTGLY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Nc4ccc(F)c(F)c4)c4ncn(CC5CC5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUUQJJCUTUBKKD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Nc4ccc(F)c(F)c4)c4ncn(CC5CC5)c4n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANUFNSMCYNDJKN-SFHVURJKSA-N", "SMILES:C=C(Cl)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDRWREDOMOKDQY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(N2C(=O)OCc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPVSNDNVFALQU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(N2C(=O)OC(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGHVTHJFWBMPFA-URORMMCBSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LATPLYQWHGFDBR-SAPNQHFASA-N", "SMILES:CCN(CC)c1ccc(/C=C/c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYXHNHBKWZQGLB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12"]}
{"name": "Translocator protein", "xref": ["CHEMBL.TARGET:CHEMBL2419"], "id": "UniProtKB:P30535", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYCOJWAFKTRII-UHFFFAOYSA-N", "SMILES:CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL300762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXPMBHGLFPGGNH-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDKWLNDHXMXTP-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286346", "category": ["biolink:ChemicalEntity"], "name": "RO-54864", "xref": ["InChIKey:PUMYFTJOWAJIKF-UHFFFAOYSA-N", "SMILES:CN1C(=O)CN=C(c2ccc(Cl)cc2)c2cc(Cl)ccc21"], "synonym": ["Ro-5-4864"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5172740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTXUJCZFZSISJ-RRPNLBNLSA-N", "SMILES:CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHMATVSBVUMZAE-LOSJGSFVSA-N", "SMILES:CC(C)C[C@H](NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDYNTWOCTIWVBG-WUFINQPMSA-N", "SMILES:CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEKCBTQHDTUHRJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL357979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJOAXDOAYZVOY-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL355944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXAFWBHDYGONMZ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL346196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBGWHCFPQBQYNU-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYANTZRSJRLJO-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUYPRCNYZAMAT-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNPBHQRYKUZEON-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)C(N)=O)c2c(OCn3cnnn3)cccn2c1Cc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL120502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRFVHHUOOWUINA-UHFFFAOYSA-N", "SMILES:CCc1c(Cc2ccccc2)c2ccc(OCCCC(=O)O)cn2c1C(=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMIAIWKGIQHOO-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)C(N)=O)c2c(OCC(O)CC)cccn2c1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRHONCNLACEKH-UHFFFAOYSA-N", "SMILES:CCc1c(CC(N)=O)c2c(OCC(=O)O)cccn2c1Cc1cccc2ccccc12"]}
{"name": "Phospholipase A2, membrane associated", "xref": ["CHEMBL.TARGET:CHEMBL5761"], "id": "UniProtKB:P31482", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Group IIC secretory phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL5169135"], "id": "UniProtKB:P48076", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Group IIE secretory phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL4201"], "id": "UniProtKB:Q9QUL3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Phospholipase A2 group V", "xref": ["CHEMBL.TARGET:CHEMBL4167"], "id": "UniProtKB:P97391", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL4378"], "id": "UniProtKB:Q9Z0Y2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Group 10 secretory phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL4200"], "id": "UniProtKB:Q9QXX3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3760062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTLWFVLVEGLKGF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(s1)-c1cc(F)cc(Cl)c1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHHJPCBHQHLLN-UHFFFAOYSA-N", "SMILES:CCCc1sc2ncnc(SCC(=O)O)c2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEVLMTSZUBIPOS-UHFFFAOYSA-N", "SMILES:Cc1sc2ncnc(SCC(=O)O)c2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGIRQUECFHUEY-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQKSCOFSVUGTM-UHFFFAOYSA-N", "SMILES:Cc1cccc(OCC(=O)Nc2ccc(Cc3ccc(NC(=O)COc4cccc(C)c4)c(C(=O)O)c3)cc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDLASALUJLTGJV-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1c[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBQPIOMWNLUQT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1ccc2nn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTIWMILIMNOTEP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1ccc2nccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRWOBALGXVDABF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOTYWWZYLNCGX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVFXHCLMGYJAQI-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1c(Cl)ccc(-n2ccnn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDCYFIQLCKETSU-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OCC)c(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKJTJXATJVJKP-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFDQKOCFYKMKAW-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYAYXFOQGUVDH-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTNAXURTKMSESJ-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEUCMBGGOKUTK-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OCC=C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWPVPKGMHTZCQF-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OCC2COC(C)(C)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQGJTBZONBVLGT-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUMGEENUXQEBJR-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSGJBWAZUCRJEE-UHFFFAOYSA-N", "SMILES:C#CCN(c1ccc(NC(=O)OC)cc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHRFUJSNVTXNR-UHFFFAOYSA-N", "SMILES:C#CCN(c1ccc(NC(=O)OC)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTLAYLPAOAHPR-UHFFFAOYSA-N", "SMILES:C#CCN(c1ccc(NC(=O)OC)cc1)c1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBAJAWUSHYQBJO-UHFFFAOYSA-N", "SMILES:C#CCN(c1ccc(NC(=O)OC)cc1)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPDRPXTERHDSE-UHFFFAOYSA-N", "SMILES:C#CCN(c1ccc(NC(=O)OC)cc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLPBXGZCIXQEW-UHFFFAOYSA-N", "SMILES:C#CCN(c1ccc(NC(=O)OC)cc1)c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUMFPWGBLSRFMB-UHFFFAOYSA-N", "SMILES:C#CCN(c1ccc(Br)cc1)c1ccc(NC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAIEKCSUTZWRB-UHFFFAOYSA-N", "SMILES:C#CCN(c1ccc(C)cc1)c1ccc(NC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGHKUHVUXRDOCO-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1cccc(NC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGWOKUDVIGYFQ-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(F)c(NC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSMQWCHTANMSQP-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKUQNGJLUWBZOK-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPNXRMODENAADK-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNCQQGUQVPWGD-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULJIBNKJVZGBU-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMDVANROSRNSQR-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHDIWPIHDHPEV-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBDVALJJUTCPM-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKZEHKKJIEDIF-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCRITPQWVPNAD-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC)c(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUBJZRAVCPBRH-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1cc(C)c(NC(=O)OC)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVIGDJVGXOHATQ-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1c(C)cc(NC(=O)OC)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABAAEFJLKOQEAB-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(F)cc1)c1ccccc1NC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBUGUOQUMLNGNN-BNNSEFEDSA-N", "SMILES:O[C@]12CCCCCC[C@@H]3CCN4CCC[C@](O)(CCCCCC[C@@H]5CCN(CCC1)[C@H]2O5)[C@@H]4O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5194499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTXDUXACYMXPD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATZDQFMULXBFB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCAKBASGLWLWPO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc(C(=O)NCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPVUSWCQRFACNA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc(C(=O)NCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHDXVQJEEHRETI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc(C(=O)NCCOCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZUCPBYLOKUIE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGLQUOVJRNPQL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3ccc(C(=O)NCc4ccc(CNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZJUOFSNOKPRHG-BQGOKDIQSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQDFWAQIJZIMB-UOHLUGTHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACMVOJXLOLDHDX-XTVHMVLRSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)c2ccc(-c3ccc(N4CCN(C)C(NC(=O)c5c[nH]c(=O)cc5C(F)(F)F)C4)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAANVDJLUGLPQA-OEFLFKSQSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOILXXMNXUOXLA-HOPMZIQWSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFCLTULBYCCZBG-LTJJNQLXSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNZESNEBSQKSE-BQGOKDIQSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLJFUHLGRAYID-MXPJCAPISA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKFHYMDHAHJSX-UOHLUGTHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYZWCPLYVFKHH-PNWJTEEHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)Cc2ccc(CNC(=O)c3ccc(-c4ccc(N5CCN(C)CC5)c(NC(=O)c5c[nH]c(=O)cc5C(F)(F)F)c4)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNIJLXCNROLXFF-PYDFUJFNSA-N", "SMILES:COc1cc(C(=O)NCCOCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGUFFFFIJCCRTF-FDVGVURUSA-N", "SMILES:COc1cc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGGHHLIITFMNSV-CYFXLULWSA-N", "SMILES:COc1cc(C(=O)NCc2ccc(CNC(=O)c3ccc(-c4ccc(N5CCN(C)CC5)c(NC(=O)c5c[nH]c(=O)cc5C(F)(F)F)c4)cc3)cc2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZEIIDRXHZLNCH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3c(n2)CCC3)cc1CNC(=O)Cc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXWVYVXJBYTQQT-TZEXNLEWSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUOHKJIOVPXKOP-AWWHSMTCSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDNZZSMPSRDFMJ-SHTJZPIOSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXFCQJLEDTBMY-JSKJCRAUSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOc2cc(-c3cn4c(n3)CCC4)ccc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKMAVVUNCRRQL-LGIBPJQYSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYWMROBTBIDEK-JVPKQGNTSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUEHDGXRMAWGBL-NSONYEDRSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYUHRKLITDJEHB-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)Nc2c(C)cccc2C)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEHOIIGXTMKVRG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQINULODWGEVBB-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)N(c3c(C)cccc3Cl)Cc3cnc(Nc4ccc(C5CCN(C)CC5)cc4OC)nc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBCMHWUFWQFPLV-VVOJOOEHSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWAUHSYJGDGRB-BFZJZIARSA-N", "SMILES:COc1ccccc1Nc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPANRCQNPHMMEF-OQIWPSSASA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4ccccn4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVQIBSBMWRMNS-OQIWPSSASA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4nc(C)ccc4F)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNBRNSGPNCARD-SGNKCFNYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4ncccc4F)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQTNVISLBLAEJQ-SGNKCFNYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4ncccc4Cl)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCJXODVUXPOGA-CYWCHRQTSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4ncccc4C)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFDLZPVEEQEQIU-OQIWPSSASA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4ncccc4OC)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPYPSRDGJWPJCB-VVOJOOEHSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4nc(C)ccc4OC)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWJXHFSDLKCNIG-WEHONNDLSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C(F)(F)F)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPTBMDXMZIQSLW-WEHONNDLSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C(F)F)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVDALFWFYZMJSN-CIEDQVTBSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(OC)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMARPCWPSMUIF-RXAXNXDRSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cc(C)cc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICXGYKGSIBXHE-GINKYGFXSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGBWFHSHJPDQX-DTKOGYIOSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5207281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPIVDYCRNVUSIY-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)/N=C(\\N)NCCCc1nnc(N)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWKIWSVEPQMPP-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)/N=C(\\N)NCCCc1cnc(N)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRFCQISFQDFZNQ-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)/N=C(\\N)Nc1ccc(-c2sc(N)nc2C)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHFQHAGSURLMS-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)/N=C(\\N)Nc1cccc(-c2sc(N)nc2C)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLSRTVQCOHVCTN-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)/N=C(\\N)NCC1CCc2nc(N)sc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATIGWXDOZQAKL-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)/N=C(\\N)NCCCc1nnc(N)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEUIALJQMNBZOT-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)/N=C(\\N)NCCCc1nnc(N)o1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYISACLCJAQEKX-UHFFFAOYSA-N", "SMILES:Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDHWXHKALUQOAP-UHFFFAOYSA-N", "SMILES:NCCCCCCCCNC(=O)/N=C(\\N)NCCCc1nnc(N)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOAYYEBHXUOGLH-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWWNGBIVGCWNQ-UHFFFAOYSA-N", "SMILES:Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGZFQTUDVGZKGM-UHFFFAOYSA-N", "SMILES:Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEOHHJMBZWYLOK-UHFFFAOYSA-N", "SMILES:CC(CNC(=O)/N=C(\\N)NCCCc1nnc(N)s1)C1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKQRSYXCMBPAAM-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHVSQMVJWYLHBP-UHFFFAOYSA-N", "SMILES:Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZJRMFZFBZAIL-UHFFFAOYSA-N", "SMILES:Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQNCPAZRLLSTTQ-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWFNIJVULNJEZ-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBGDRNYNMOZZEL-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBIXIVYHPDZLQI-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIIQRCZDVTAPE-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYYZQOBCGJFPK-CURYUGHLSA-N", "SMILES:C[C@@H](NC(=O)/N=C(\\N)NCCCc1c[nH]cn1)c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYVFZXIDAULKH-NVJADKKVSA-N", "SMILES:C[C@@H](NC(=O)/N=C(\\N)NCCCc1ncn[nH]1)c1ccccc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPOWERYUAHMBNR-UHFFFAOYSA-N", "SMILES:CC(NC(=O)/N=C(\\N)NCCCc1nnc(N)s1)c1cccc(F)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSLRCNVNYUERND-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(C)CNC(=O)/N=C(\\N)NCCCc2nnc(N)s2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDFLIMPCLPMKOW-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(C)CNC(=O)/N=C(\\N)NCCCc2nnc(N)o2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDDLWVPLCUTER-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(C)CNC(=O)/N=C(\\N)NCCCc2cnc(N)s2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMHKVKMURLVQH-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(C)CNC(=O)/N=C(\\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLSVRGWJGSWAPP-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(C)CNC(=O)/N=C(\\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQOJHMSMEMHFFD-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(C)CNC(=O)/N=C(\\N)NCC2CCc3nc(N)sc3C2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMUCLANWKRJBIV-UHFFFAOYSA-N", "SMILES:CC(CCCc1ccccc1)CNC(=O)/N=C(\\N)NCCCc1nnc(N)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANHYVDDWVKRSF-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LENZIGGBMYFPCQ-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEOPVCICUSQEFS-UHFFFAOYSA-N", "SMILES:CC(CCCc1ccccc1)CNC(=O)/N=C(\\N)NCC1CCc2nc(N)sc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELOJSXVQMABAD-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYJHSHOVQOBFW-UHFFFAOYSA-N", "SMILES:Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\\N)Nc2cccc(-c3sc(N)nc3C)c2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWJGSJNOFIWGGP-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)NCCCCCCNC(=O)/N=C(\\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIFSBDWACLTBKB-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)NCCCCCCCCNC(=O)/N=C(\\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQZTUEBEBYMUAM-YQFADDPSSA-N", "SMILES:C[C@@H](NC(=O)/N=C(\\N)NCCCc1nnc(N)s1)c1ccccc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKQDZZIFFXVYBH-XJCLVHIMSA-N", "SMILES:C[C@@H](NC(=O)/N=C(\\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKSDFMBRUJQIOF-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQLZLXLLKJJTQX-YSSFQJQWSA-N", "SMILES:N#Cc1c(N)ncnc1N1[C@H](c2nc3cccc(Cl)c3c(=O)n2N2CCOCC2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEWWFVHHRBDZGN-UGSOOPFHSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccnc2)N1c1ncnc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPBXXMPSOABTC-GUYCJALGSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2N2CCOCC2)N1c1ncnc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFSVJNRVGPFTJE-KRWDZBQOSA-N", "SMILES:Nc1nc(N2CC3(CC3)C[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEUUYBTVBTYNN-IBGZPJMESA-N", "SMILES:N#Cc1c(N)ncnc1N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXOGSNYKZTYGR-KRWDZBQOSA-N", "SMILES:C=C1C[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N(c2nc(N)nc3[nH]cnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGXXDLLUCVXCFE-FQEVSTJZSA-N", "SMILES:C=C1C[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N(c2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OARZOYMHLSLOOL-SFHVURJKSA-N", "SMILES:C=C1C[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N(c2ncnc3[nH]cnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQXUEEWYLMXZLY-IBGZPJMESA-N", "SMILES:C=C1C[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N(c2ncnc(N)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBKGOZSEEWQXLD-APWZRJJASA-N", "SMILES:C=CCO[C@@H]1C[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N(c2nc(N)nc3[nH]cnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYRBTBVWSPIAB-UTKZUKDTSA-N", "SMILES:C=CCO[C@@H]1C[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N(c2ncnc(N)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRROFSQOUZLHEI-HNNXBMFYSA-N", "SMILES:Nc1nc(N2CC(F)(F)C[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTDJOUMUGFQFTJ-KRWDZBQOSA-N", "SMILES:N#Cc1c(N)ncnc1N1CC(F)(F)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXPYSDMEYVJDW-SSKFGXFMSA-N", "SMILES:N#Cc1c(N)ncnc1N1[C@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUANUANWNLHHLZ-RXYZOABWSA-N", "SMILES:N#Cc1c(N)ncnc1N1[C@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccc(F)c2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMRAIAYLDLLOC-RWGOJESNSA-N", "SMILES:N#Cc1c(N)ncnc1N1[C@H](c2nc3cccc(Cl)c3c(=O)n2-c2cc(F)cc(F)c2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWTDMTXJGBVTSM-JHVJFLLYSA-N", "SMILES:N#Cc1c(N)ncnc1N1[C@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccnc2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXULSEQWTUDHCL-RWGOJESNSA-N", "SMILES:N#Cc1c(N)ncnc1N1[C@H](c2nc3cccc(F)c3c(=O)n2-c2cc(F)cc(F)c2)C[C@@H]2CCCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBZGELIJZQGBGD-LIRRHRJNSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)N1c1ncnc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWZGSTGYDFNVFE-DJJJIMSYSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccc(F)c2)N1c1ncnc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJBWMFFJQNBOLJ-XOBRGWDASA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccc(F)c2)N1c1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZGOYCOZCCRPI-UGSOOPFHSA-N", "SMILES:C[C@H]1CC[C@@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccc(F)c2)N1c1ncnc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSIWAQKLAWXDGD-ZPZFBZIMSA-N", "SMILES:CN1CCN(CC(=O)Nc2ccccc2/N=N/c2ccccc2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSIWAQKLAWXDGD-RKFQPGFBSA-N", "SMILES:CN1CCN(CC(=O)Nc2ccccc2/N=N\\c2ccccc2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBDSHCUSXQATPO-BGBJRWHRSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5186063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFXWVIYYVBKIA-CULIEIDSSA-N", "SMILES:O=C1Nc2ccc(C(=O)N3CCCCC3)cc2/C1=C1/Nc2ccccc2/C1=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEVQVQMNFISGX-BAXAEGEVSA-N", "SMILES:COC(=O)c1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\\O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUBUEVQMMYUGL-WAVHTBQISA-N", "SMILES:O=C1Nc2ccc(C(=O)O)cc2/C1=C1/Nc2ccccc2/C1=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTWDKLJCDHHRX-FQJRYBMTSA-N", "SMILES:O=C1Nc2c(Br)cccc2/C1=C1/Nc2ccccc2/C1=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXNABRCKCRBSO-YCCAXDBOSA-N", "SMILES:CC(=O)O/N=C1C(=C2/C(=O)Nc3c(Br)cccc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIEDBGFYGHINFT-LCLDVOFVSA-N", "SMILES:COc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\\OCC(O)CO)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTMUEVXTIJYQT-IFCOVLIBSA-N", "SMILES:COC(=O)c1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\\OCCN1CCNCC1)C(=O)N2.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAICELSJYGDXQQ-KTMFPKCZSA-N", "SMILES:Cc1cn(C2CC(n3cc(COCCOCCOCCN4C(=O)/C(=C5\\Nc6ccccc6C5=O)c5ccccc54)nn3)C(CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBWCTYAUCXLYDX-KARKAFJISA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(-n4cc(COCCOCCOCCN5C(=O)/C(=C6\\Nc7ccccc7C6=O)c6ccccc65)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTXKDCYBOSTRS-UHFFFAOYSA-N", "SMILES:C=Cc1cc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHOLTXQYJPLCCC-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCCc1ccc2ncn(-c3ccnc(N)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUWOWZKZBCFXKY-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCc1ccc2ncn(-c3ccnc(N)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGPYGPWCDCGIE-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCc1ccc2ncn(-c3ccnc(N)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIISCIKLQPAHCU-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC#Cc1ccc2ncn(-c3ccnc(N)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNOVSIBVQFUCY-UHFFFAOYSA-N", "SMILES:CCc1ccc2ncn(-c3ccnc(N)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCBJSUBJMYDGO-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2ncn(-c3ccnc(N)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBPKCQZKCVXEGO-UHFFFAOYSA-N", "SMILES:C=Cc1ccnc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMJNYAWGXNEHT-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSKLLKWKOHJINB-UHFFFAOYSA-N", "SMILES:C#Cc1cc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHFTLUKVYAYDY-UHFFFAOYSA-N", "SMILES:C#Cc1cncc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVJRQBXFOYQYMK-UHFFFAOYSA-N", "SMILES:C#Cc1ccnc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZVRVYIDSPIFBT-UHFFFAOYSA-N", "SMILES:C=Cc1ccnc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGGGFMSJFAYSV-UHFFFAOYSA-N", "SMILES:C#Cc1ccnc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEXDAMRRPRYVPR-UHFFFAOYSA-N", "SMILES:C=Cc1nccc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNLGVAACMXTAJX-UHFFFAOYSA-N", "SMILES:C#Cc1nccc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGHZNZTZTWDXHT-UHFFFAOYSA-N", "SMILES:C#Cc1cc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLRLQJHBWIZNC-UHFFFAOYSA-N", "SMILES:C#Cc1cncc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJTPLBKTGIOSGB-UHFFFAOYSA-N", "SMILES:C=Cc1ccc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBZLCKFKUJOGL-UHFFFAOYSA-N", "SMILES:C#Cc1ncc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRIHGRFITDOZEC-UHFFFAOYSA-N", "SMILES:C#Cc1cnc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNXNUEWCCVCNSH-UHFFFAOYSA-N", "SMILES:Cc1ccnc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIZLABGKZWVAW-UHFFFAOYSA-N", "SMILES:COCCOc1cnc(N)nc1-c1c[nH]c2ccc(C#CC(C)(C)O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTYOOYHLZDMOH-YDALLXLXSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQXXOBNVVACHIB-UNMCSNQZSA-N", "SMILES:CCc1cccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFAPDUQLUWIMPW-LBPRGKRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)Cc1ccccc1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARHEIAXMNRIFP-HNNXBMFYSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDMJKJTZNVTNEL-INIZCTEOSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)Cc2ccccc2)B(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SALMIPDLGBALHF-KRWDZBQOSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)Cc2ccccc2)B(O)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIEVZOTYTPVHCW-KRWDZBQOSA-N", "SMILES:Cc1ccc(C[C@H](NC(=O)Cc2ccccc2)B(O)O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEDQKOMUWCDED-HNNXBMFYSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H](Cc1ccc(Cl)cc1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIEVZOTYTPVHCW-QGZVFWFLSA-N", "SMILES:Cc1ccc(C[C@@H](NC(=O)Cc2ccccc2)B(O)O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHOGNGAVFOEGS-KRWDZBQOSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H](Cc1cc2ccccc2o1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRRMRPLIEUPSEG-KRWDZBQOSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H](Cc1coc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCFJOFENRKDPM-INIZCTEOSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H](Cc1c(Cl)oc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOTOTAFWXOQROJ-KRWDZBQOSA-N", "SMILES:Cc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVRYKEGBEKKPBZ-INIZCTEOSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H](Cc1coc2c(Cl)cccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXVUZQMQYSSKNB-INIZCTEOSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H](Cc1coc2c(F)cccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGCIPUFCNTHLB-KRWDZBQOSA-N", "SMILES:COc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPDUCVZVLCCQM-KRWDZBQOSA-N", "SMILES:Cc1c(Cl)ccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVIDCSSIOTZCLS-CJNGLKHVSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H](C[C@@H]1COc2c(Cl)cccc21)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVIDCSSIOTZCLS-BBRMVZONSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H](C[C@H]1COc2c(Cl)cccc21)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVPODHDCQQIQT-WBVHZDCISA-N", "SMILES:Cc1cccc2c1OC[C@H]2C[C@H](NC(=O)Cc1ccccc1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFIDSVYHTYZIG-HNNXBMFYSA-N", "SMILES:O=C(Cc1cnccn1)N[C@@H](Cc1coc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVSVLKJLLAPSRC-AWEZNQCLSA-N", "SMILES:O=C(Cc1ncccn1)N[C@@H](Cc1coc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKQWMHKXJMGVFF-INIZCTEOSA-N", "SMILES:O=C(Cc1cccnc1)N[C@@H](Cc1coc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQQPIJPKQSVNL-AWEZNQCLSA-N", "SMILES:O=C(Cn1cccn1)N[C@@H](Cc1coc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMGFVJIIPTKRB-INIZCTEOSA-N", "SMILES:O=C(Cc1ccncc1)N[C@@H](Cc1coc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUFCYKQDHPIFQ-SFHVURJKSA-N", "SMILES:N#Cc1ccccc1CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWRFMDRJZZNMLU-QAPCUYQASA-N", "SMILES:N#Cc1ccccc1CC(=O)N[C@@H](C[C@@H]1COc2ccccc21)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANAHQGZCJNNCQJ-PBHICJAKSA-N", "SMILES:N#Cc1ccccc1CC(=O)N[C@@H](C[C@@H]1COc2c(Cl)cccc21)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMJTQBLTOORGH-AEFFLSMTSA-N", "SMILES:Cc1cccc2c1OC[C@H]2C[C@H](NC(=O)Cc1ccccc1C#N)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHUQDXLHUWKSRR-LBPRGKRZSA-N", "SMILES:CC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKOQFOAPAPXPT-LBPRGKRZSA-N", "SMILES:COCC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQERLKUHEUIJOF-ZDUSSCGKSA-N", "SMILES:COCCC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXRZDEGVEPTORD-KGLIPLIRSA-N", "SMILES:O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXRZDEGVEPTORD-KBPBESRZSA-N", "SMILES:O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDJLONKZFUKOX-HZMBPMFUSA-N", "SMILES:O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDJLONKZFUKOX-YGRLFVJLSA-N", "SMILES:O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQDLTYXNINJON-YUDUHTQSSA-N", "SMILES:O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@H]1C[C@@H]2CC[C@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQDLTYXNINJON-OYNZBZHQSA-N", "SMILES:O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@@H]1C[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQDLTYXNINJON-ZCDTZLGTSA-N", "SMILES:O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@@H]1C[C@@H]2CC[C@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQDLTYXNINJON-XTBFLFJDSA-N", "SMILES:O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@H]1C[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRQLJUTKHZFPT-VWNXMTODSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRQLJUTKHZFPT-ISKFKSNPSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDLEPGBOVJBLS-DGPALRBDSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccccc2)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKEGUZOMPQPJEE-SYVJQLTCSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKFRLXHEIUAYBJ-DGPALRBDSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C2CCCCC2)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKWMEWDMAYZSN-LADGPHEKSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](C)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKWMEWDMAYZSN-ISKFKSNPSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](C)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMRCIIZGJWUFPB-IAPPQJPRSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCCC)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUOMUAWXDFZQT-VPUSJEBWSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C(C)(C)C)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWODYWAYZWZMP-NOZRDPDXSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLIGFZBOUZXBPW-VEEOACQBSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C)cc2)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJURNNBMSYICGH-XMMPIXPASA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OCC(C)(C)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBNCIVJPQSDPX-RSXGOPAZSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CC)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEUOSETWFXYBRV-VPUSJEBWSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCC)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRHDWKLYSYYYCK-VTIYRKAUSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBAEHJGQNWXEY-KNQAVFIVSA-N", "SMILES:CCCCCCCOc1ccccc1CCC(=O)NC[C@@H](C)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFLRXAUDSFNRW-SANMLTNESA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NCCCOP(=O)(O)OC[C@H](NC(C)=O)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXKNHLUVATLDE-VPUSJEBWSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHGUBWXTPCWXQJ-CTUGRKDQSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(OC)OC[C@H](NC(C)=O)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWADKHSHHOHDF-AOYPEHQESA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](NC(C)=O)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKICUYOVLIQQT-DLNIMUOOSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](NC(C)=O)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKICUYOVLIQQT-OKEQGEBHSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@H](C)[C@H](NC(C)=O)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWADKHSHHOHDF-RSXGOPAZSA-N", "SMILES:CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJWHINCSLZQYTB-SNAWJCMRSA-N", "SMILES:C/C=C/[S+]([O-])SC1SC(O)C(C)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXVZFRBSCNEKPQ-UHFFFAOYSA-N", "SMILES:CNCCc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL450522", "category": ["biolink:ChemicalEntity"], "name": "SOTETSUFLAVONE", "xref": ["InChIKey:OIFVLHZEBAXHPM-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1-c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O"], "synonym": ["7'-O-Methylamentoflavone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5205786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNVDXIGCSDEEN-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)O)cc1-c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCAVDRSGOUZCSD-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)O)cc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHQOBFYGHBBCBV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUDGAOWBOOEYAV-ZROIWOOFSA-N", "SMILES:O=C1N/C(=N\\c2nnc(-c3ccccc3Cl)s2)S/C1=C\\c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKCFDZWLZBPSQ-ZSOIEALJSA-N", "SMILES:O=C1N/C(=N\\c2nnc(-c3cccc(F)c3)s2)S/C1=C\\c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDRYRBUWQDJOS-UHFFFAOYSA-N", "SMILES:CCNC(=O)Cn1cnc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)n1"]}
{"name": "NS5", "xref": ["CHEMBL.TARGET:CHEMBL4523952"], "id": "UniProtKB:A0A143MHK7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:64320"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUWWNGMUPSKDC-MHZLTWQESA-N", "SMILES:O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cc(-c2ccccc2)c(=O)n2c1sc1ccc(OC3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNNQEGFWWHUDOZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2cccc3ccccc23)n[nH]1)C1=CNc2ccccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDFACCHDJCBFS-QFIPXVFZSA-N", "SMILES:O=C1N=C(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)N=C2CCN(Cc3ccccc3)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSLFELNQZRKOJA-YRKGHMEHSA-N", "SMILES:C[C@@]1(O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTDFAUZEBYQPMA-GAJNKVMBSA-N", "SMILES:C[C@@]1(O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCZSHICNESTART-ZOQUXTDFSA-N", "SMILES:CO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(N)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373691", "category": ["biolink:ChemicalEntity"], "name": "PSI-6130-TP", "xref": ["InChIKey:LXSPLIVXMSDIQS-VPCXQMTMSA-N", "SMILES:C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(N)nc1=O"], "synonym": ["Psi-6130-tp"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWOUDNQUDFGPI-NVQRDWNXSA-N", "SMILES:Nc1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMJXLQEZZOCBN-INIZCTEOSA-N", "SMILES:C[C@H]1CN(c2cc(F)c(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4116915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYARBFPEJRKODC-LNRXMEIDSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(C)C)CCCCNC(=O)[C@@H](c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTJOIPPVAWDZSV-MHZLTWQESA-N", "SMILES:CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCIPILGGOSCOMC-MHZLTWQESA-N", "SMILES:CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)NC(c2ccccc2)c2ccccc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGLREAITVXTJOM-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)NCCCN)cc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVIIFQWVNDENNM-UHFFFAOYSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)N(C)c2cc(C(=O)Oc3ccccc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGMSQLTELEUSP-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cc(Cn2ccn(C)c2=O)cc(C(=O)NCc2cc(Cl)cc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTAKNRDGAVVAF-WQLQHLIKSA-N", "SMILES:Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3)ccc2N2CCN(C)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHKMUIDNRIFDED-NSVAZKTRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFSEFCZCINXAA-OHSXHVKISA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTJXIKUZAXHKN-NSVAZKTRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1cccc(CNC(=N)N)c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQDKYLDRCOECM-NSVAZKTRSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1CNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCKJZVKOIVGPHZ-UNCTUWKVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHDGGZQLGNMKG-KLJDGLGGSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHGVYZIHLIULCP-HPUNYJORSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJVHOUNSZYRAG-NLJOTIRTSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWAEIBXQANIDD-UNCTUWKVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVXBIICKRWTCF-UNCTUWKVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVNQWUTRVIFOI-UNCTUWKVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCN)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYRRUQAPRWPBSO-UHZKZQFESA-N", "SMILES:CC1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CCCCNC(CCCNC(=N)N)c2cn1nn2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBRKNBDCHMICJR-JXGOAHEWSA-N", "SMILES:CC(C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)n1cc(C(CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFCSKQJELLZOL-AZWWYLJXSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC/C=C/CNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJBLMMPANHNRF-KHLMYIKTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUOQPACNYWWUOF-XNRQVXKYSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCN(CCCNC(N)N)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGINMFQYFMCTE-AHVUEUQHSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NN(CCCNC(=N)N)CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOSNPKYKQJPYEO-FDISYFBBSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVTBWFFNDLKECP-FWEHEUNISA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CCCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc2ccc(C(=N)N)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNGXRZICCRJQM-LJWNLINESA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CCCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCc2ccc(C(=N)N)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGSLLGVPCEFCD-MLCQCVOFSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIDQPXHYYLZKGN-QKUYTOGTSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CCCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc2ccc(C(=N)N)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OELWYKHUGZGEGR-NXIBUDQUSA-N", "SMILES:CC(C)(C)[C@@H]1NC(=O)[C@H](CCCNC(N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCNC(=O)CCN2CCN(CCC(=O)NCCCC[C@@H](C(=O)NCc3ccc(C(=N)N)cc3)NC1=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFNWZWMKTGEVSO-CEKHALKXSA-N", "SMILES:CC(C)(C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCNC(=O)Cc2ccc(cc2)CNC(=O)CCCC(=O)NCCCC[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFFXEHFGDIXZLB-MVLCJGSFSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKOMVARPTYRSU-WFFGTWMSSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCc2ccc(C(=N)N)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRIPLOYMYWENR-UHFFFAOYSA-M", "SMILES:CSc1oc(-c2ccc(Cl)cc2Cl)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1617688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXIDBHKWPOTQRS-UHFFFAOYSA-N", "SMILES:CCN1CCS/C1=C\\C=C\\C1=[N+](CC)CCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHOHLMWFQOZLU-HQSWAJDZSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLFCOBHUJBVBM-UNCTUWKVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCONC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDXTFLGGDWHLA-UNCTUWKVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCCONC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCONC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XECIJEYEUTVTRR-DDRXXTSWSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKNFFVLIBJPPM-IRGGMKSGSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKNFFVLIBJPPM-YLSALNBJSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGJOUVUKWGWJG-IRGGMKSGSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEGKRBLAWWELQM-ICSRJNTNSA-N", "SMILES:CC(C)[C@H](NC(=O)CCCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUUPIXTWGWWQGK-AZUAARDMSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)CCCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWPCXTNDGTURLE-MHGIMSBQSA-N", "SMILES:N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)cc3NC(=N)N)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c(NC(=N)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCNHRISMJPPGNI-CIRFHOKZSA-N", "SMILES:N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)cc3NC(=N)N)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDMLDIYZDMGFF-USTZCAOPSA-N", "SMILES:N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)cc3)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMFYIUOGBXZQI-KPWCQOOUSA-N", "SMILES:N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)cn3)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAROEKCQOFRZTJ-OSZJIOELSA-N", "SMILES:N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)c4ccccc34)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c(NC(=N)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVRHIDIJLSSUHQ-YUVXSKOASA-N", "SMILES:N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)c4ccccc34)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXPGDDRGDRKKV-MNHALERFSA-N", "SMILES:N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)c4ccccc34)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL506022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMXMBXOZUEHDV-UARRHKHWSA-N", "SMILES:N=C(N)Nc1ccc(N[C@H]2C[C@@H](NC(=N)N)[C@H](Oc3ccc(NC(=N)N)cc3)C[C@@H]2Oc2ccc(NC(=N)N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDJSXUKKBKOHG-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(OCCCOc2ccc(NC(=N)N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKWMNVAUTZRAU-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(OC2CCCC(Oc3ccc(NC(=N)N)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1963286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRVDGPQNQCBCKO-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(Oc2cccc(Oc3ccc(NC(=N)N)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLNYAQQDALBMP-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(OCCCOc2ccc(NC(=N)N)cc2NC(=N)N)c(NC(=N)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRGRFSTRGEZGV-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(OC2CCCC(Oc3ccc(NC(=N)N)cc3NC(=N)N)C2)c(NC(=N)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYAWIQJMJIZONJ-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(Oc2cccc(Oc3ccc(NC(=N)N)cc3NC(=N)N)c2)c(NC(=N)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJOHOGLTJALQRG-USTZCAOPSA-N", "SMILES:N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccc(C(=N)N)cc2)C[C@@H]1Oc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQFOZYINFGLCLH-MHGIMSBQSA-N", "SMILES:N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccc(C(=N)N)cc2Cl)C[C@@H]1Oc1ccc(C(=N)N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPUEZJYHNDADA-FGYAAKKASA-N", "SMILES:Cc1cc(O[C@H]2C[C@@H](Oc3ccc(C(=N)N)c(C)c3)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)ccc1C(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXPOFCIDFYMRLW-KPWCQOOUSA-N", "SMILES:N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccc(C(=N)N)cn2)C[C@@H]1Oc1ccc(C(=N)N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPTPTIZJFDBODF-MNHALERFSA-N", "SMILES:N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccc(C(=N)N)c3ccccc23)C[C@@H]1Oc1ccc(C(=N)N)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDMCTNFIWHFCPS-MHGIMSBQSA-N", "SMILES:N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccc(C(=N)N)cc2C(=N)N)C[C@@H]1Oc1ccc(C(=N)N)cc1C(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFSXUHKGYUUYKN-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(OC2CCCC(Oc3ccc(C(=N)N)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL35241", "category": ["biolink:ChemicalEntity"], "name": "DIMINAZENE", "xref": ["InChIKey:XNYZHCFCZNMTFY-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1"], "synonym": ["Diminazene", "Diminazeno", "4,4'-(diazoamino)benzamidine", "Diminazen"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL48199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYDBEAPGXZEHX-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(Oc2cccc(Oc3ccc(C(=N)N)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZIJPLTRJOVDN-DJKKODMXSA-N", "SMILES:N=C(N)N/N=C/c1ccccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1191168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJEQEZWXYYTFQK-JRGWAENISA-N", "SMILES:C/C(=N\\NC(=N)N)c1cc(N)cc(/C(C)=N/NC(=N)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1644915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROHYSSYNQCICAA-AGGYBRLQSA-N", "SMILES:C/C(=N\\NC(=N)N)c1cc(NC(=O)CCCNC(=N)N)cc(/C(C)=N/NC(=N)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIGPVNCTFBGFHP-OCHFTUDZSA-N", "SMILES:N=C(N)N/N=C/c1ccc(Oc2ccc(Oc3ccc(/C=N/NC(=N)N)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTCPORDVFQNBQN-BKHCZYBLSA-N", "SMILES:N=C(N)N/N=C/c1ccc(N2CCN(c3ccc(/C=N/NC(=N)N)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHGVQVZNJEUMV-IHXWQEJPSA-N", "SMILES:C/C(=N\\NC(=N)N)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(/C(C)=N/NC(=N)N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPGJZSOHLTRMR-CIOBDNPFSA-N", "SMILES:C/C(=N\\NC(=N)N)c1ccc(OCCCOc2ccc(/C(C)=N/NC(=N)N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBIMVKURLLAICU-DWGHPKEWSA-N", "SMILES:N=C(N)N/N=C/c1cccc(OCCCOc2cccc(/C=N/NC(=N)N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRNTRPTSUMYAD-UHFFFAOYSA-N", "SMILES:CC(=O)NCC1CCN(Cc2cc(Oc3ccc(N4CCN(CC(=O)O)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKNCNAEPRSZSL-UHFFFAOYSA-N", "SMILES:CC(=O)NCC1CCN(Cc2cc(Oc3ccc(N4CCN(CCC(=O)O)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQLFGFBRYFKBBJ-UHFFFAOYSA-N", "SMILES:CC(=O)NCC1CCN(Cc2cc(Oc3ccc(N4CCN(CCS(C)(=O)=O)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVBYLQLXFJUNC-UHFFFAOYSA-N", "SMILES:CC(=O)NCC1CCN(Cc2cc(Oc3ccc(N4CCN(CCO)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHGOUJUCYUYWRN-UHFFFAOYSA-N", "SMILES:CNC(=O)NCC1CCN(Cc2cc(Oc3ccc(N4CCN(CCC(=O)O)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOOCFNGOLFXEKM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cnc(Oc3cc(CN4CCC(CC(=O)O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPZVVBHTMJSSW-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2cnc(Oc3cc(CN4CCC(CC(=O)O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXRKDSECTVFOM-UHFFFAOYSA-N", "SMILES:O=C(O)CC1CCN(Cc2cc(Oc3cnc(N4CCNCC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZEJIKZNBHEXCM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc(Oc3cc(CN4CCC(CC(=O)O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMYVCZSMOIFAS-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2ncc(Oc3cc(CN4CCC(CC(=O)O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWGLSGYZGTXKW-UHFFFAOYSA-N", "SMILES:O=C(O)CC1CCN(Cc2cc(Oc3cnc(N4CCN5CCC4C5)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZPXARBHSNBMCW-UHFFFAOYSA-N", "SMILES:CC(CC1CCN(Cc2cc(Oc3cnc(N4CCN(C)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPSOUBNBXTISO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCCN1CCN(c2ncc(Oc3cc(CN4CCC(CC(=O)O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUVTTYFXRWVEJU-HXUWFJFHSA-N", "SMILES:C[C@@H](O)CN1CCN(c2ncc(Oc3cc(CN4CCC(CC(=O)O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKGLRKBFXECOM-UHFFFAOYSA-N", "SMILES:O=C(O)CC1CCN(Cc2cc(Oc3cnc(N4CCN(CCO)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIZGFRSKRZZKAK-UHFFFAOYSA-N", "SMILES:CC(=O)NCC1CCN(Cc2cc(Oc3cnc(N4CCN(CCC(=O)O)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXVJENOKGAJKU-UHFFFAOYSA-N", "SMILES:CC(=O)NCC1CCN(Cc2cc(Oc3cnc(N4CCN(CCC(C)C(=O)O)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTCQGNRVMEMDD-UHFFFAOYSA-N", "SMILES:COC(=O)NCC1CCN(Cc2cc(Oc3cnc(N4CCN(CCC(=O)O)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFDPYGNASDMELU-SDHOMARFSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(N=C(N)N)cc1)C(=O)NCc1ccc(C(=N)N)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STWIQLJAZUCKRU-SDHOMARFSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(N=C(N)N)cc1)C(=O)NCc1ccc(C(=N)N)c(F)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYFZTDZJLMLSBP-SDHOMARFSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(N=C(N)N)cc1)C(=O)NCc1ccc(C(=N)N)cc1F)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIHKEDRWBNIMO-SDHOMARFSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(N=C(N)N)cc1)C(=O)NCc1ccc(/C(N)=N/O)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRSVXIFOXDFBKT-VXKWHMMOSA-N", "SMILES:CC(C)[C@H](NS(=O)(=O)Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMTOUHLEUVLGSR-UHFFFAOYSA-N", "SMILES:COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUFSIDDYWPGJO-UHFFFAOYSA-N", "SMILES:COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWRKPQVLGBTCG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL166031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKNAGLMNQADBQE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFZKKWKESWUFY-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)NC5CC5)CC4)c(Cl)c3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHUBFWCCMLLCJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(C(Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLBJPZSROAGMF-SIYOEGHHSA-N", "SMILES:COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACCULLWIBRVLMN-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNSBOKWWDZNCG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CCCN2CCN(c3ccc(F)cc3F)CC2)nc2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYNZDGGVRBTFE-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CCN(CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTKNCUXYGRLOI-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ccccc34)CC2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DROQVECQSRMSSA-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3cccnc34)CC2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSZCBLUQDHMLKX-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ncccc34)CC2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXGAIYNRGPZSR-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCC5)CC2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLBJIYDIZMEDJE-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)COCC5)CC2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWNPCEBPFPRRNK-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOQRBLKAJQZWAI-UHFFFAOYSA-N", "SMILES:CCc1cc2ccc(CN3CCN(c4ncc(C)n4C)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKWUYAPKMXCMHF-UHFFFAOYSA-N", "SMILES:CCc1cc2ccc(CN3CCN(c4ccc(F)cc4F)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUKIDVZIRKKXTQ-UHFFFAOYSA-N", "SMILES:CCc1cc2ccc(CN3CCN(c4ccc(C(=O)NC)cc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVDWUAJZMYDKN-UHFFFAOYSA-N", "SMILES:CCc1cc2ccc(CN3CCN(c4cnc(C(=O)NC)cn4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWBMCSAZFPFMU-UHFFFAOYSA-N", "SMILES:CCc1cc2ccc(CN3CCN(c4cnc(C(=O)NC)nc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCIDVQGNYSTLC-UHFFFAOYSA-N", "SMILES:CCc1cc2ccc(CN3CCN(c4ccc(C(=O)NC)nn4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIZJAXIHJZKRG-UHFFFAOYSA-N", "SMILES:CCc1cc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWBAAJGNNHHVBK-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095220", "category": ["biolink:ChemicalEntity"], "name": "SARUPARIB", "xref": ["InChIKey:WQAVGRAETZEADU-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O"], "synonym": ["Saruparib", "Saruparib", "Saruparib", "Azd 5305", "Azd-5305", "Saruparib", "AZD5305", "Saruparib"]}
{"name": "Protein mono-ADP-ribosyltransferase PARP9", "xref": ["CHEMBL.TARGET:CHEMBL4295895"], "id": "UniProtKB:Q8IXQ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHGRQAFMGAZNTK-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZMRRZYIBUPSV-VMPITWQZSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)/C=C/c1ccc(C(=O)NO)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIJHNOWTLZLFTF-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C2(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)NC(=O)NC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMIPBHQKFOFQW-NSYGIPOTSA-N", "SMILES:Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1"], "chembl_natural_product": true}
{"name": "Disintegrin and metalloproteinase domain-containing protein 17", "xref": ["CHEMBL.TARGET:CHEMBL3332"], "id": "UniProtKB:O77636", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHVMTHKJUAOZJP-DKKDMOBXSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)C(CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCFRFDOOYLALP-CYBMUJFWSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C2CCOCC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEIFNYQECUEXDQ-VJANTYMQSA-N", "SMILES:CON(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184618", "category": ["biolink:ChemicalEntity"], "name": "FRAMYCETIN", "xref": ["InChIKey:PGBHMTALBVVCIT-VCIWKGPPSA-N", "SMILES:NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O"], "synonym": ["Framycetin", "Framycetin", "Framycetine", "Framicetina", "Neomycin b", "Actilin", "Antibiotic 10676", "Dekamycin iii", "Enterfram", "Fradiomycin b", "Framidal", "Framycetin", "Framycin", "Framygen", "Francetin", "ANTIBIOTIQUE EF 185", "Neomycin b"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5180162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRAVOBZISQEAN-PGRDOPGGSA-N", "SMILES:CCN(CCCC[C@@H](C[C@@H](OC)c1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OODDZQQDDOVCFD-SCLBCKFNSA-N", "SMILES:C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1"], "chembl_natural_product": true}
{"name": "Adenosine deaminase", "xref": ["CHEMBL.TARGET:CHEMBL3206"], "id": "UniProtKB:P03958", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTUBKDOPRIRSX-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDPMHKACNCOZJL-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVUZTCBOJDHAAL-UHFFFAOYSA-N", "SMILES:CN(CC1CC1)C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJJUSQDRCXPJIG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2cccc(-c3cccc(C(=O)N(CC4CC4)CC4CC4)c3F)c2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POXZWUFGBAMZNF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2cccc(-c3cccc(C(=O)N4CCCCC4)c3F)c2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYPAKWDDIPWBD-HXUWFJFHSA-N", "SMILES:CCC[C@@H]1CCCCN1C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYPAKWDDIPWBD-FQEVSTJZSA-N", "SMILES:CCC[C@H]1CCCCN1C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFYDNYFCUYJOA-UHFFFAOYSA-N", "SMILES:CCCC1COCCN1C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYLZVZGTDOOUTC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2cccc(-c3cccc(C(=O)N4CCCC5(CCCC5)C4)c3F)c2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNOQXOCLOKUMBJ-WBVHZDCISA-N", "SMILES:CN(C)C(=O)[C@H]1CCC[C@@H](c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFMAODZLDUERIC-QUCCMNQESA-N", "SMILES:O=C(O)c1cnn(-c2cccc([C@@H]3CCC[C@H](C(=O)N4CCCCC4)C3)c2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQZIUZHYGGIBI-UHFFFAOYSA-N", "SMILES:CCCC1CCCCN1C(=O)C1CCCC(c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBPMQISVQNVGD-UHFFFAOYSA-N", "SMILES:CCCCC1CCCN1C(=O)C1CCCC(c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBPMQISVQNVGD-AKIFATBCSA-N", "SMILES:CCCC[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGAKMUMIFCPJLV-UHFFFAOYSA-N", "SMILES:CCCC1CCCCN1C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3c3cccnc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSWIDSDLNMOACS-UHFFFAOYSA-N", "SMILES:CCCC1CCCCN1C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3c3ccccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQXPANGTBDFMC-UHFFFAOYSA-N", "SMILES:CCCC1CCCCN1C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3c3cccnn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZESJVQYWCZXRPG-UHFFFAOYSA-N", "SMILES:CCCC1CCCCN1C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3c3cn(C)nn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZESJVQYWCZXRPG-AFESJLNVSA-N", "SMILES:CCC[C@@H]1CCCCN1C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3[C@H]3C[C@@H]3c3cn(C)nn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXRJIBWLOPQGM-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1"]}
{"name": "Alkaline phosphatase, placental type", "xref": ["CHEMBL.TARGET:CHEMBL4458"], "id": "UniProtKB:P05187", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKUFZFKCAIBESU-OAQYLSRUSA-N", "SMILES:COc1c(Cl)cc(-c2cccc(C[C@@H](NC(=O)c3cc(-c4ccc(C)o4)[nH]n3)C(=O)O)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUPGQQQDAHDFGU-LJAQVGFWSA-N", "SMILES:NC(=O)CC[C@@H](C(=O)Nc1cccc(Oc2ccccc2)c1)n1cc(CNC(=O)c2ccc3ncn(CC(=O)c4ccc(O)c(O)c4)c3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUPGQQQDAHDFGU-GDLZYMKVSA-N", "SMILES:NC(=O)CC[C@H](C(=O)Nc1cccc(Oc2ccccc2)c1)n1cc(CNC(=O)c2ccc3ncn(CC(=O)c4ccc(O)c(O)c4)c3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYBACNHYCEJOT-NDEPHWFRSA-N", "SMILES:Cc1cc(-c2cnccn2)ccc1NC(=O)[C@H](CCC(N)=O)n1cc(CNC(=O)c2ccc3ncn(CC(=O)c4ccc(O)c(O)c4)c3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYBACNHYCEJOT-MUUNZHRXSA-N", "SMILES:Cc1cc(-c2cnccn2)ccc1NC(=O)[C@@H](CCC(N)=O)n1cc(CNC(=O)c2ccc3ncn(CC(=O)c4ccc(O)c(O)c4)c3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXZXUAMQBTYEQ-JZTSUELASA-N", "SMILES:C[C@@H]1CCC[C@H](C)N1CCC(=O)N[C@@H](CCC(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)C(=O)NCCCSCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOFHWWBCLNSSQZ-CUTDWWQESA-N", "SMILES:C[C@@H]1CCC[C@H](C)N1CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(N)=O)C(=O)NCCCSCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCENIHRVOACZSU-QHCPKHFHSA-N", "SMILES:CC(C)(C)OC(=O)n1c(-c2ccccc2C[C@H](NC(=O)c2cnc3ccccn3c2=O)C(=O)O)cc2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCENIHRVOACZSU-HSZRJFAPSA-N", "SMILES:CC(C)(C)OC(=O)n1c(-c2ccccc2C[C@@H](NC(=O)c2cnc3ccccn3c2=O)C(=O)O)cc2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEBOKPGUIDSHM-NRFANRHFSA-N", "SMILES:Cc1ccc(NC(=O)NCC#Cc2ccc(C[C@H](NC(=O)c3nn(C)c(C)c3Br)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEBOKPGUIDSHM-OAQYLSRUSA-N", "SMILES:Cc1ccc(NC(=O)NCC#Cc2ccc(C[C@@H](NC(=O)c3nn(C)c(C)c3Br)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZGXXHMULEDBI-AKRCKQFNSA-N", "SMILES:Cc1ccc2c(c1)NC(=O)C2CC(=O)N[C@@H](Cc1ccc(-c2ccc(Cl)cc2C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCGDRHDYSINHI-FHZUCYEKSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(-c2ccc(Cl)cc2C(F)(F)F)cc1)NC(=O)CC1C(=O)Nc2cc(C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKUFZFKCAIBESU-NRFANRHFSA-N", "SMILES:COc1c(Cl)cc(-c2cccc(C[C@H](NC(=O)c3cc(-c4ccc(C)o4)[nH]n3)C(=O)O)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHXCZCPMDZSQR-RBZQAINGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc3ccccc3c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPIBLPFNVFQEZ-RBZQAINGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2cccc3ccccc23)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVWMNATZLANHT-RBZQAINGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Br)c3ccccc23)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGGWIQSXBXJCO-BHDDXSALSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc3cc[nH]c3c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTZBMWOKSAEHFN-FRXPANAUSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc4ccccc4c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSJCRIDLCLQZKM-FRXPANAUSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccc4ccccc34)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVUJSBAPOGGOU-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc4[nH]ccc4c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJYVMGXGGJZZRH-KJYTXNCISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc4occc4c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGIHODHYJOCGTG-ZRRKCSAHSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc4ccsc4c3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMGYYHRDSUBFFR-ZRRKCSAHSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccs3)c3ccccc23)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWBAHSZYRXHHNG-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccsc3)c3ccccc23)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTXCHSEGWLZKU-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc3c(c2)Cc2ccccc2-3)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDRZAKHURJZGR-HNPKZYAISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc3c(c2)c2ccccc2n3CC)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMPXRVZCUSNSAW-HDYLNDSGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc3oc4ccccc4c3c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHDCHXBXBBXLH-PPJWLVRDSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc3sc4ccccc4c3c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHBLOPMWJOCKL-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2c3ccccc3cc3ccccc23)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNXXHRRIIASFMJ-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Sc3ccccc3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEFNNWSXXWATRW-KTXUZGJCSA-N", "SMILES:CC(C)Cc1ccc(C([11CH3])C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOCOYIPJQMGTN-BJUDXGSMSA-N", "SMILES:COC(=O)C([11CH3])c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAWWYLUQZOLWBT-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJJUQLZQNYHJX-MIGPCILRSA-N", "SMILES:Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)Nc3ccc([18F])cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUHLJNQTSZQWBE-SJPDSGJFSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c([18F])c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYERBHSCSOLBFI-BJUDXGSMSA-N", "SMILES:CS(=O)(=O)c1ccc(-n2c(-c3ccc(O[11CH3])c(F)c3)cnc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUIMZWHJUVXRFX-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYUROFZGQHJJX-LRFGSCOBSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc3ccccc3c2-c2ccc([18F])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZJQGNCSTQAWON-BJUDXGSMSA-N", "SMILES:[11CH3]S(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDUSBLGGASDIN-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1ccc(-c2cnc(Cl)n2-c2ccc(S(N)(=O)=O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGJVDSEBQVHRX-LRFGSCOBSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCc3ccc([18F])cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBAICMYWONZOSZ-KTXUZGJCSA-N", "SMILES:COc1ccc(-c2nc(O[11CH3])nn2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEGHAAVDAFSSE-BJUDXGSMSA-N", "SMILES:COc1ccc(-n2nc(OCC(F)(F)F)nc2-c2ccc(O[11CH3])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGAGIRZLRLUOU-DZKQDAASSA-N", "SMILES:[2H]C([2H])([18F])Oc1nc(-c2ccc(OC)cc2)n(-c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL305060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTVXNOVVMAMQNU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccsc2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBPHWBIGQTLTF-BJUDXGSMSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc(O[11CH3])nc(NCc3cccs3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2068805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVHVAVIXCVGPY-UHFFFAOYSA-N", "SMILES:CCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3409318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXZFAZROTLMFTB-UHFFFAOYSA-N", "SMILES:CCOCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFKADOYLMDGNMO-UHFFFAOYSA-N", "SMILES:CCCc1c(C)sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4117628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNWNAOVZUFEIL-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=O)C23CC4CC(CC(O)(C4)C2)C3)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZLKOACVSPNER-BOGPEQETSA-N", "SMILES:C#CCN([11CH3])[C@H](C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBWUKXWSNXXLOG-SQZVAGKESA-N", "SMILES:N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)o[11c]1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMNCLANJWZZOG-HUYCHCPVSA-N", "SMILES:COCC1CN(c2noc3cc(OCCCC(F)(F)F)ccc23)[11C](=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBXCMFBJUZVBJS-ZTBCQRABSA-N", "SMILES:Cc1ccc(-c2ccc3cc(OC[C@H](O)C[18F])ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHXTXRZADPVWNK-AWDFDDCISA-N", "SMILES:OCc1ccc(-c2noc(-c3ccc(OCC[18F])c(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJLDXKYVYZQADI-GJQNQZCXSA-N", "SMILES:OCCOCc1ccc(-c2noc(-c3ccc(OCC[18F])c(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDIJXZRZPRIWQQ-LRFGSCOBSA-N", "SMILES:OCC(O)c1ccc(-c2noc(-c3ccc(OCC[18F])c(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGQKJRQXCSGORT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ccc(-c2nc(-c3ccc(CN(C)CCC(=O)O)c(F)c3)no2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSEXFQSYEZSXJE-XNHRRBRJSA-N", "SMILES:COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc([123I])c(OC)cc3OC)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAMYCWXBZHSENN-KWCOIAHCSA-N", "SMILES:Cc1nn(C)c2nc(NNC(=O)C(C)c3cc(Cl)nc(O[11CH3])c3)cc(C(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULCYNKNDJVWBS-RBISCYFJSA-N", "SMILES:C[C@@H]1Cn2c(nnc2-c2cc(O[11CH3])ccn2)CN1C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKGUMQBQFCLSZ-NDJNCYDBSA-N", "SMILES:C[C@H]1Cc2c(nnn2-c2ncccn2)CN1C(=O)c1ccnc(C(F)(F)F)c1[18F]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHSRMSFDASMAE-SFIIULIVSA-N", "SMILES:COc1ccc(CC(=O)NC(N/C(=N/C#N)Nc2cccc3ncccc23)C(C)(C)C)cc1O[11CH3]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEMSIVBBUBXMZ-FXKBKNDVSA-N", "SMILES:[11CH3]N1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCWZOBFKJDCHY-RJTRXXBVSA-N", "SMILES:O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCC(=O)N1CC[18F]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSQAAMUNCFYTG-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1ccc(Cl)c(C(=O)NCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPGVLATDPLSAG-AWDFDDCISA-N", "SMILES:N#C/N=C(/NCc1ccc([18F])cc1)Nc1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRGSOKOVRDWNW-SQZVAGKESA-N", "SMILES:CCOC(=O)c1cc(C#N)c(N2CC(N[11C](=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQPRBEOPAONJTD-JVVVGQRLSA-N", "SMILES:CCOc1cc2ccc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN([11CH3])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPPIQKPNBIUKY-BJUDXGSMSA-N", "SMILES:[11CH3]N1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVNMMNCGRUJQPK-GJQNQZCXSA-N", "SMILES:O=C(c1ccc([18F])cc1)N(Cc1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSAIDXNOFNJTBF-GKTGUEEDSA-N", "SMILES:Oc1cccc(Nc2nc(-c3ccc([18F])cc3F)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYFZYEUZYNSCHX-LRFGSCOBSA-N", "SMILES:CCCCNc1ncc(-c2cccc([18F])n2)c(NC2CCC(O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPSBUIWVLQEKQ-KVTPGWOSSA-N", "SMILES:O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc([18F])nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGSJTRKFMSQMR-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1ccc(Cc2ccncc2)nc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYFXGAQIMSPCY-BJUDXGSMSA-N", "SMILES:[11CH3]n1cc(Cc2ccc(OCF)c(-c3cccc(Cl)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLBPIKWQKSPNY-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1ccc(Cc2cn[nH]c2)nc1-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLDVMKSXURTJL-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1ccc(Cc2ccncc2)nc1-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVJCUZCRPIMVLB-KXMUYVCJSA-N", "SMILES:CC(C)OCCn1c2cc[nH]c2c(=O)[nH][11c]1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBUZOGABRDGBR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXOXHBHJMDUAJR-WDUCEZRYSA-N", "SMILES:CC(=O)N[C@H]1CO[C@H]2CC[C@@H](B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPESMECSPSOZCA-ZLUOBGJFSA-N", "SMILES:N[C@H]1CO[C@H]2CC[C@@H](B(O)O)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPESMECSPSOZCA-NGJCXOISSA-N", "SMILES:N[C@@H]1CO[C@@H]2CC[C@@H](B(O)O)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCYRNOOKYIUAIQ-BWBBJGPYSA-N", "SMILES:C[C@H]1O[C@H]2CC[C@@H](B(O)O)N2C(=O)[C@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDSCRXMWRYZJKF-NSHDSACASA-N", "SMILES:O=C(NCC(=O)N1CCC[C@H]1B(O)O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1243126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYJOKMDLJXDDNB-QAETUUGQSA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNMDFARAFJSEZ-ZDUSSCGKSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDHOCZMPAGFXIP-JZXCFKRMSA-N", "SMILES:CC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=C/C(=N\\OCC(=O)N[C@H](C(=O)O)C(C)O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5209277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUWAVRAWKGFIAX-PASQJINRSA-N", "SMILES:CC(O)[C@H](NC(=O)CO/N=C1\\C=C2CC[C@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(C)O)[C@@]2(C)CC1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5172935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKULYGKWNYMZML-REBOFDGXSA-N", "SMILES:C[C@@]12CC[C@H]3[C@H](CCC4=C/C(=N\\OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)CC[C@]43C)[C@@H]1CC[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5184719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIFWGEHGIHHYJQ-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2ccc(OCC(=O)NC(CCSC)C(=O)O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJDWZINYOUKNJF-UHFFFAOYSA-N", "SMILES:Cc1c(OCC(=O)NC(CSCc2ccccc2)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5171320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZBDNQFYNGKIER-UHFFFAOYSA-N", "SMILES:CCCCCCc1c(C)c2ccc(OCC(=O)NC(Cc3ccccc3)C(=O)O)cc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5171780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDWFPOZICRATHJ-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NC(CSCc3ccccc3)C(=O)O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL311909", "category": ["biolink:ChemicalEntity"], "name": "CHICAGO SKY BLUE", "xref": ["InChIKey:OHMJKMNGYYWCHB-HVMBLDELSA-N", "SMILES:COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMPFVLMNCPYQB-MQXQNARFSA-N", "SMILES:C=C(CO)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOQSZICWRNPAMF-IUGYEWCASA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1087753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYZHONUJBNDJH-UXEVJXGNSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(/C=N/O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL359080", "category": ["biolink:ChemicalEntity"], "name": "BETULIN DIACETATE", "xref": ["InChIKey:MIROITGPMGDCGI-MQXQNARFSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5180658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVVDLOPGBAPFO-NXCFDTQHSA-N", "SMILES:O=Cc1cccc([C@@H]([C@H](Nc2ccccn2)c2ccccc2)[C@@H](O)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIWCKBWFYUCBAI-LVFDAWRISA-N", "SMILES:O[C@H](c1ccc([C@@H](O)[C@@H](c2ccccn2)[C@H](Nc2ccccn2)c2ccccc2)cc1)[C@@H](c1ccccn1)[C@H](Nc1ccccn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKHKZFQEKXKEEG-ZNZIZOMTSA-N", "SMILES:COc1ccc([C@H](O)[C@H](c2ccccn2)[C@@H](Nc2ccccn2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL422042", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROBETULIN", "xref": ["InChIKey:JZZMDHQYBFQRMW-ROUWMTJPSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5196098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHPUTYEGYRSMD-CKSIWDTGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTMVSVQIYRTKIW-PVJUYUROSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)NC(CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVLEAIBFYBMTD-PEFJUNQQSA-N", "SMILES:CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)C(=O)C(=O)NC1CC1.Cl"]}
{"name": "Subtilisin-like protease 1", "xref": ["CHEMBL.TARGET:CHEMBL2052035"], "id": "UniProtKB:O61142", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHVQOKCNZZZQQ-NXHIVTLCSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC(C)C(=O)C(=O)NCCC(=O)O)[C@@H](C)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RENPDYVOYXZYRP-SDXCNODLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CCC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHRYSGPPLGRGH-BTXSVYSASA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)B(O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUXMXDTFQHFDE-QPNXVFALSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)B(O)O)[C@@H](C)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDRUDVAWOPXUQK-AFCVYNCWSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]1CCOB1O)[C@@H](C)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQIQXNAAUDYREJ-BHDSKKPTSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)B(O)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFMMJZMQRGSBSO-UVBJJODRSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)B(O)O)C(C)C)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPLHMNEXLZOCF-FOXYBHETSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)C(F)(F)C(=O)NCC(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGOQBYAZBTQQB-CVYVPXSGSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)C(F)(F)C(=O)NCC(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUYLBDGWVJEFLX-SYWGBEHUSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)C(F)(F)C(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKYPFZGPQNMGU-UGSOOPFHSA-N", "SMILES:CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)C(F)(F)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL537778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDLICVFRRZMPR-UHFFFAOYSA-N", "SMILES:Brc1ccc(Nc2nc3ccccc3nc2Nc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIMVWICFWQVDJM-UHFFFAOYSA-N", "SMILES:Clc1cc(Nc2nc3ccccc3nc2Nc2ccc(Br)c(Cl)c2)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNUZCIIEZWXTNE-UHFFFAOYSA-N", "SMILES:Nc1cc2nc(Nc3ccc(Br)cc3)c(Nc3ccc(Br)cc3)nc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRKZUJQDLZOUDU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cc2nc(Nc3ccc(Br)cc3)c(Nc3ccc(Br)cc3)nc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUPQNGNZYZDZOI-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2Oc3c(c(O)cc4c3C3c5c(O)cc(O)c(O)c5OC(c5ccc(O)c(O)c5)(O4)C3O)CC2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3325857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIHGBLWCWSAVQN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(C)c3cc(NC(=O)c4cc5ccccc5[nH]4)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOZHVMLGXNKLRR-UHFFFAOYSA-N", "SMILES:CCc1cccc(NC(=O)c2ccc3c(=O)n4nc(Nc5cc(C)ccc5C)sc4nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPSFTEIQDLIXMW-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(C)cc1NC(=O)Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1478102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCTAMHGECGPHLM-UHFFFAOYSA-N", "SMILES:CSc1ccc(CCNC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1873576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNFDASCPIUGCNQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDFVVDKWAWOSJ-QXUSSCGESA-N", "SMILES:N=C(N)NCCC[C@H]1CNC(=N)N1CCN(CCN1C[C@H](CCCNC(=N)N)N(CCCC2CCCCC2)C1=N)CCN1C[C@H](CCCNC(=N)N)N(CCc2cccc(Br)c2)C1=N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INQUULPXCZAKMS-XKZIYDEJSA-N", "SMILES:COc1ccc2[nH]cc(/C=C3\\C(=O)Nc4ccc(NC(=O)CCN5CCCCC5)cc43)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILUKRINUNLAVMH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C)ccc1Nc1nc(Nc2cc(OC)ncc2C)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWWARUCRYUKFB-UHFFFAOYSA-N", "SMILES:CCCOc1c2cccc1Cc1cc(C(=O)P(=O)(O)O)cc(c1O)Cc1cccc(c1OCCC)Cc1cccc(c1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJJMLCSNHLVQI-UHFFFAOYSA-N", "SMILES:CCCOc1c2cccc1Cc1cc(C(=O)P(=O)(O)O)cc(c1O)Cc1cccc(c1OCCC)Cc1cc(C(=O)P(=O)(O)O)cc(c1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNMAGZNSICFGF-UHFFFAOYSA-N", "SMILES:CCCCOc1c2cccc1Cc1cc(C(=O)P(=O)(O)O)cc(c1O)Cc1cccc(c1OCCCC)Cc1cc(C(=O)P(=O)(O)O)cc(c1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJHAXLHKYOVJBX-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1c2cccc1Cc1cc(C(=O)P(=O)(O)O)cc(c1O)Cc1cccc(c1OCCCCCCCC)Cc1cc(C(=O)P(=O)(O)O)cc(c1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBFTIOYMAEXQE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCOc1c2cccc1Cc1cc(C(=O)P(=O)(O)O)cc(c1O)Cc1cccc(c1OCCCCCCCCCCCC)Cc1cc(C(=O)P(=O)(O)O)cc(c1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMOYLKSFNWJNY-UHFFFAOYSA-N", "SMILES:CCCOc1c2cccc1Cc1cc(C(O)(P(=O)(O)O)P(=O)(O)O)cc(c1O)Cc1cccc(c1OCCC)Cc1cc(C(=O)P(=O)(O)O)cc(c1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYDJHPQTXVJJZ-UHFFFAOYSA-N", "SMILES:O=C1OCc2cc(-c3ccc(-c4ccc(CO)cc4)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKLIUAJVINKBS-WDZFZDKYSA-N", "SMILES:Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\\c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGQZEUVWZDNPV-JYRVWZFOSA-N", "SMILES:Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\\c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBFSRPVNRRLLEV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQUHNRZOIBFSHS-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1"]}
{"name": "Perforin-1", "xref": ["CHEMBL.TARGET:CHEMBL5169116"], "id": "UniProtKB:P10820", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWRCQEUBIJVFBD-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMQJMPPHSFJMIF-UHFFFAOYSA-N", "SMILES:O=C1NCCc2ccc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBARSIUPMNRNMU-UHFFFAOYSA-N", "SMILES:O=C1NCCc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSIVIDZKCPRXPR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(c1ccc(-c3cncc(NS(=O)(=O)c4ccc(F)cc4F)c3)s1)N(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIAQRTAXQYZHBE-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5ccccc5[N+](=O)[O-])c4)s3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNVYWLKGWAELS-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(=O)N1CCN(CC(OCc2ccc3ccccc3c2)c2ccc(Cl)cc2Cl)CC1)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSOBGTYXYGHUTD-UHFFFAOYSA-N", "SMILES:c1cncc(C2Nc3ccccc3-n3cccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZLSHLEYQRERE-UHFFFAOYSA-N", "SMILES:O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEXQNYTGYAPCC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCCN1CCN(C2c3ccccc3CCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSJKMZUYBUAUMK-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOJZWEYALATGKI-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPBSBUQDPNMEBC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSGDKMXBAQRYNT-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRHEXWLYWNUKQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXDZMARCXAPFR-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)N2CCN(CCCCn3cnc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCSPIKNYHXQPMW-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXYCZKNNSUEEPF-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc3ccccc3n2CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUPOIGLNKBNHX-UHFFFAOYSA-N", "SMILES:Cc1cc2ncn(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUUSHQRTAFZCNA-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)N2CCN(CCCCn3ncc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMEYOGSVYGAUDM-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)N2CCN(CCCCn3ccc4ncccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAFGNCPYKJTXPQ-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)N2CCN(CCCCn3ccc4cnccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODXHFBIMXXMRJ-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)N2CCN(CCCCn3ccc4ccncc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNJABDVXVKITQ-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)N2CCN(CCCCn3ccc4cccnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXHOGFCETRARGE-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)N2CCN(CCCCn3nnc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMHLQJPFNQJKMD-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)N2CCN(CCCCn3ccc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSNEKLVYFLMEK-UHFFFAOYSA-N", "SMILES:Cc1nnnn1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQWXBVOQMYQBBP-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnnn2CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJXIZLNMVMVGB-UHFFFAOYSA-N", "SMILES:Cc1nccn1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYMNKTIRTOFOOO-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1ccn2CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLADANKPXRAMOP-UHFFFAOYSA-N", "SMILES:Cc1ccc2ccn(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVCFWIFRFFNLQ-UHFFFAOYSA-N", "SMILES:Cc1cccc2ccn(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWEOJJABOJFGLF-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMNKUUCLACXPF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(ccn2CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPSKKNWRAVRARK-UHFFFAOYSA-N", "SMILES:Fc1cccc2c1ccn2CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPJVKYCLAAALW-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(ccn2CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAYQUTOIGFPXDE-UHFFFAOYSA-N", "SMILES:Fc1ccc2ccn(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIFCPCVOEQVWIL-UHFFFAOYSA-N", "SMILES:Fc1cc2ccn(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHULMXPFERJCQP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCN(CCCn3c(=O)[nH]c4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKACMSTPBMOET-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWNZZFDOQUPFDM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODKRLIWKWBEBG-MDZDMXLPSA-N", "SMILES:O=c1[nH]c2ccccc2n1C/C=C/CN1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMRZRKQKIZLRQY-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)N2CCN(CCCCn3cncn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSIEECFZBTGLB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(ccn2CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLSIEQLHMGACNA-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C1(O)c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4289287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYRKBYNCPSQQT-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAWSUQYKWFRFK-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRVJBVOJDYBIN-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CCCCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVDIYQGOTSDQGD-UHFFFAOYSA-N", "SMILES:O=C1N(CCCN2C(=O)C(O)(c3c[nH]c4ccccc34)c3ccccc32)c2ccccc2C1(O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZQQYVVJJKQPW-UHFFFAOYSA-N", "SMILES:O=C1N(CCCCN2C(=O)C(O)(c3c[nH]c4ccccc34)c3ccccc32)c2ccccc2C1(O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMBVCRHQFUEMEM-UHFFFAOYSA-N", "SMILES:O=C1N(CCCCCN2C(=O)C(O)(c3c[nH]c4ccccc34)c3ccccc32)c2ccccc2C1(O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUVNNXVPUPQALO-UHFFFAOYSA-N", "SMILES:O=C1N(CCCCCCN2C(=O)C(O)(c3c[nH]c4ccccc34)c3ccccc32)c2ccccc2C1(O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGZASTZVRJBQN-UHFFFAOYSA-N", "SMILES:O=C1N(CCCCCCCN2C(=O)C(O)(c3c[nH]c4ccccc34)c3ccccc32)c2ccccc2C1(O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORISQLHMKNZBT-UHFFFAOYSA-N", "SMILES:O=C1CSc2cc(OCc3ccccc3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHPMADAWGDPPY-UHFFFAOYSA-N", "SMILES:O=C1CSc2cc(OCc3ccc(Cl)cc3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEAPEVPOKKKURT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(COc2ccc3c(c2)SCC(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMFOWRGUQUSXAN-UHFFFAOYSA-N", "SMILES:O=C1CSc2cc(OCC3CCCCC3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZQCNZRRSOGPOD-UHFFFAOYSA-N", "SMILES:O=C1CSc2cc(OCCCc3ccccc3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRSTIHEDHFFHE-UHFFFAOYSA-N", "SMILES:O=C1CSc2cc(OCCc3ccccc3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIGFABKNFWHKE-UHFFFAOYSA-N", "SMILES:O=C1CSc2cc(OCc3ccc(Br)cc3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYIQFWPSSDARF-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2c(c1)SCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJRKJMSYGXBCNU-UHFFFAOYSA-N", "SMILES:O=C1CSc2cc(O)ccc2N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL103879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITGVVWIRFDIBZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)SCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNEFLZKWUITLFC-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc3c(c2)SCC(=O)N3)cc1"]}
{"name": "D-amino-acid oxidase", "xref": ["CHEMBL.TARGET:CHEMBL6172"], "id": "UniProtKB:P00371", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMQKESQZFQMFW-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOMPCIUKVGZKBN-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTJBUNPOFWPMH-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYWXWNSDMWBIN-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKDRHBXDSJIFI-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ncc(Oc3ccccc3)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMGBVAZFLNTGC-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(Oc3ccccc3)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMJTYLDKILAIKM-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(OC3CCCC3)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRDCMCGXAMAUNZ-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(OC3CCC3)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKABTGLLFMGRGR-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(OC(C)C)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDJRRCPOLBBDDS-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(CC(C)C)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHCVNGUYVVBMS-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(CC(C)C)cc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHXXCXGXGFFAB-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCNC(=O)c1sc2nccc3c2c1NC(=O)N3c1cnc(CC(C)C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHOKFOHRQUSPMF-NLWGTHIKSA-N", "SMILES:C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3c2c1NC(=O)N3[C@@H]1CN=C(CC(C)C)C=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098771", "category": ["biolink:ChemicalEntity"], "name": "UAB-30", "xref": ["InChIKey:PPGNMFUMZSAZCW-VOYUZAMQSA-N", "SMILES:CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\\CCCc2ccccc21"], "synonym": ["(9z)-uab-30", "Retinoid 9cuab30", "Uab-30", "Uab30", "9-CIS-UAB30", "9CUAB30", "UAB-30"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5200645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFPIKPIXJYHWHZ-JALBNXGMSA-N", "SMILES:CCCC1=C(CCC(C)C)/C(=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZQCOJFLDQABP-JFSMNYEXSA-N", "SMILES:CCCCC1=C(CCC(C)C)/C(=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDOYFQDHIMGBQ-NUXCVKLASA-N", "SMILES:CCC(C)C1=C(CCC(C)C)/C(=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJCTSSRCWXFCW-XGDCXREESA-N", "SMILES:CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\\CCCC(CCC(C)C)=C1CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMMNCBKNCOUSD-VNEVVWSASA-N", "SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)CC(SCCC(=O)NC(Cc3cn(CCOCCOCCNCCCCCCOc4cc(OCCCc5c(C)n[nH]c5C)cc(C(=O)O)c4)nn3)C(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C2=O)C(C)C)cc1)C(C)C"]}
{"name": "Transthyretin", "xref": ["CHEMBL.TARGET:CHEMBL5169111"], "id": "UniProtKB:P07309", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQUSLCDBIVPGER-AORLGBQOSA-N", "SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCCN2C(=O)CC(SCCC(=O)NC(Cc3cn(CCOCCOCCNCCCCCCOc4cc(OCCCc5c(C)n[nH]c5C)cc(C(=O)O)c4)nn3)C(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C2=O)C(C)C)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZBNEFITGEELT-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1CCCOc1cc(OCCCCCCNCCOCCOCCN=[N+]=[N-])cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAPGYEXCZBOFIX-POHNHZBWSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CCCCCCNC(=O)CCCCC(=O)NCCN(CCC(=O)NCCNC(=O)CCCCC(=O)NCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)CCC(=O)NCCNC(=O)CCCCC(=O)NCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)CC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBSXGTAKKSWFMS-NMHHKOEOSA-N", "SMILES:OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](n3cc(COC[C@@H](OCc4cn([C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)nn4)[C@@H](O)[C@H](O)[C@@H](COCc4cn([C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)nn4)OCc4cn([C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)nn4)nn3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCBYDGJQUDIDX-USVZOUMTSA-N", "SMILES:OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](n3cc(COC[C@@H](OCc4cn([C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)nn4)[C@@H](OCc4cn([C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)nn4)[C@H](OCc4cn([C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)nn4)[C@@H](COCc4ccccc4)OCc4ccccc4)nn3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O"]}
{"name": "Galectin-1", "xref": ["CHEMBL.TARGET:CHEMBL4105904"], "id": "UniProtKB:P16045", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNDJHIRTVJHQB-OIADKPKDSA-N", "SMILES:O=C(CBr)N[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O"]}
{"name": "Non-reducing end beta-L-arabinofuranosidase", "xref": ["CHEMBL.TARGET:CHEMBL5169216"], "id": "UniProtKB:E8MGH8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:565042"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNDJHIRTVJHQB-DOAVWBMOSA-N", "SMILES:O=C(CBr)N[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPNLMYXPHMKRQ-OIADKPKDSA-N", "SMILES:O=C(CCl)N[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPNLMYXPHMKRQ-DOAVWBMOSA-N", "SMILES:O=C(CCl)N[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXGMKOFTPHNYIH-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(ccnc3-c3ccccc3OCC(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKCYMKSWQGDKBG-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(-c3ccccc3OCC(F)F)n1)CN(c1ccc(C(C)(C)O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVZVKMDHMFFJO-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(cc(C(F)F)nc3-c3ccccc3OCC(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKUWUGHPGADOEB-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(cc(C(C)(C)F)nc3-c3ccccc3OCC(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCCYKMQBBRQCSJ-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(cc(C4CCCCC4)nc3-c3ccccc3OCC(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVAZUVUTWEAJN-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(cc(C(C)(C)O)nc3-c3ccccc3OCC(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQRSMNJTRDLDP-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2c(c(-c3ccccc3OCC(F)F)n1)CN(c1ccc(C(C)(C)O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJAZVGFZTDXJBX-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(cc(C4CCOCC4)nc3-c3ccccc3OCC(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYCCOVROHWUQBG-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(cc(C4CCCOC4)nc3-c3ccccc3OCC(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZAIHIRNHQQLS-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(cc(C4(C)COC4)nc3-c3ccccc3OCC(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPRHECZJLPOIQ-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(ccnc3-c3ccccc3OCC(F)(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYXSUMCMWLQTPN-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(-c3ccccc3OCC(F)(F)F)n1)CN(c1ccc(C(C)(C)O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGOWQKCDBZTCD-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N2Cc3c(cc(C4(C)COC4)nc3-c3ccccc3OCC(F)(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAYXPOVVNWSHEE-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc(OC(F)F)nc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKGAPIJDXHPECB-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc(C(C)(C)O)nc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBZXJBCNDEVRT-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4cnc5cn[nH]c5c4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJULBGPNAODEGM-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc5[nH]ncc5n4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIXPYBLRWJFETC-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc5cn[nH]c5n4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCMEFFRRGTNSY-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc5cc[nH]c5n4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGIUGREGZOJMG-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc5oc(=O)[nH]c5c4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRUQIRGVTCDGBO-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc5nc(C(F)(F)F)[nH]c5n4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPVROYUXYYJJC-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4cc5c(cn4)NC(=O)CC5)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWLFXINNNSDCN-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4cc5cccc(C(=O)NC)c5cn4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBYKLGSLRTFEJ-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)c5nccn45)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKFRXLDDGHRAM-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCn4c(cnc4C(=O)NC)C3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYZXOAIEYXKOIA-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCc4nc(C(=O)NC)ccc4C3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUSEXNQXFAVSQ-FNORWQNLSA-N", "SMILES:CCc1cc2ncc(CN3CCc4cc(/C=C/C(=O)NC)ccc4C3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDLSZSGNSLBEQ-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CC4CN(c5ccc(C(=O)NC)nc5)CC4C3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUNVSSQIAWYGLS-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CC4CCC(C3)N4c3ccc(C(=O)NC)nc3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJMJSUDCBTVDD-ROUUACIJSA-N", "SMILES:CCc1cc2ncc(CN3C[C@@H]4C[C@H]3CN4c3ccc(C(=O)NC)nc3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJVUEIXGZRLJU-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CC4(CCN(c5ccc(C(=O)NC)nc5)CC4)C3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWTWKRHBLDCXHT-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CC4(C3)CN(c3ccc(C(=O)NC)nc3)C4)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBJRTNJBCUCSST-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCC(Nc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEEMANFJIXWISV-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CC(Nc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWJIPVZWQPNFLC-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCC(Nc4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBJRTNJBCUCSST-QGZVFWFLSA-N", "SMILES:CCc1cc2ncc(CN3CC[C@@H](Nc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBJRTNJBCUCSST-KRWDZBQOSA-N", "SMILES:CCc1cc2ncc(CN3CC[C@H](Nc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AESWZAYAYLDGPG-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc(C(N)C(F)(F)F)nc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCYOEAWXNGQEB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCOCC3)nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZKENWWCGIHDV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCCCC3)nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQSZVECJMJELSV-HHHXNRCGSA-N", "SMILES:Cc1ccc(CCCCN2C(=O)N[C@H](Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHWZWQFXHETJU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc4ncccc34)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNYUUZOQHNEKB-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188381", "category": ["biolink:ChemicalEntity"], "name": "GW806742X", "xref": ["InChIKey:SNRUTMWCDZHKKM-UHFFFAOYSA-N", "SMILES:CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPTQWMQTXBVAHT-UHFFFAOYSA-N", "SMILES:CN(c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQLWMSXWRKLECS-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(Oc2cc3sc(NC(=O)C4CC4)nc3cc2F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPXNUBPJQJLML-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1nn(Cc2cc(F)ccc2F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFICOVJVZBOYSM-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(Br)c1)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRZDZNBZAWMIKO-PYUWXLGESA-N", "SMILES:Cc1[nH]c(CC2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFFBLXVJFWLLK-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Nc2cccc(-c3c[nH]c4ncc(-c5ccccc5)cc34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDIMLDKKJUQINI-IBGZPJMESA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2nc(Cc3ccccc3)n[nH]2)COc2ccc(C#CC3CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQTPMHCXBYRWFQ-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL247228", "category": ["biolink:ChemicalEntity"], "name": "GW770249X", "xref": ["InChIKey:KNDPXYAMINMLED-UHFFFAOYSA-N", "SMILES:Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQXFTYOCFPQGX-UHFFFAOYSA-N", "SMILES:O=C(c1cnn(Cc2ccccc2)c1)N1CCOc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIKGAEMMNQTUGL-SNVBAGLBSA-N", "SMILES:CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUKIJYKPRXYBQP-OPAMFIHVSA-N", "SMILES:COc1ccc2c(c1)C1=CN(C(=O)CO)[C@H](c3ccc(OC)c(F)c3)[C@@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRPUVGBRNDNAS-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)c1ccc(C#N)n1C)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHSPFJYDJOPFA-UHFFFAOYSA-N", "SMILES:O=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPYLAXKVRSOGEI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(CC(=O)Cc4ccccc4)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAXMYKSWGIJKU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(-c3cnc(C)c(CC(=O)OC4CCCCC4)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUAZLWHOOTXVCE-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(c1)OC(O)(c1ccc(OCc3ccccc3)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXFYROJRZJPKTQ-IRXDYDNUSA-N", "SMILES:COc1cc2c(cn1)N(C)C(=O)[C@@H](NC(=O)c1nc3n(n1)[C@H](c1ccccc1)CC3)CC2"]}
{"name": "RalA-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5169159"], "id": "UniProtKB:Q62172", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZGVVBNUINXTEH-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OCCCC(=O)O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKSLCIKUHWNNBM-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1ccc(OCc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOFFMIAQODQII-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1ccc(OCc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWRVCFHYPDTXHH-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OCc2cccc(OCC(=O)O)c2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHMMCHCSRBDZPC-UHFFFAOYSA-N", "SMILES:CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPXAQZXDMKXKR-LEWJYISDSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2)[C@H](c2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPXFDAZRIHONL-LEWJYISDSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2cccc(Cl)c2)[C@H](c2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJRFLFBDLMXREP-VQTJNVASSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2Cl)[C@H](c2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDPNKIRGEZASMY-RRPNLBNLSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2-c2ccccc2)[C@H](c2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYIFDELJUHBZSW-CLSOAGJSSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCCCC2)[C@H](c2ccc(F)cc2F)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEWSCJRJKWDXHN-KZDWWKKTSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCOCC2)[C@H](c2ccc(F)cc2F)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTENXMBRDZIXJS-LOSJGSFVSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCC(C(=O)O)CC2)[C@H](c2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKIZSDFXBLJTBY-CLSOAGJSSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCC(C(N)=O)CC2)[C@H](c2ccc(F)cc2F)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUJCMPTFXDTQC-IZZNHLLZSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCC(CC(=O)O)CC2)[C@H](c2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHAPLUWTHUHQRD-IZZNHLLZSA-N", "SMILES:Cc1ccc(Cn2ccnc2NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)c(N2CCC(C(=O)O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZBKWZZGSYEBEF-LOSJGSFVSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccc(C(F)(F)F)cc2N2CCC(C(=O)O)CC2)[C@H](c2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOMXKLYJPHPCQ-XZOQPEGZSA-N", "SMILES:CC(C)(C)N1C[C@@H](C(=O)Nc2nc3ccccc3n2Cc2ccccc2)[C@H](c2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFJLWZSHKPVZGX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(N3CCN(c4cc(Cl)ccc4C)CC3)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMCUQWBFJYNLQS-UHFFFAOYSA-N", "SMILES:Fc1cc2c(cc1Cl)Nc1ncnc3ccc(cc13)OCCOCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZZIPZXUDZPAP-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOc1c(Cl)cccc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGPYPYFNRVZVRY-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOc1cc(Cl)ccc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNNPUBNZYAROC-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOc1cccc(Cl)c1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUQWYJACINWNEL-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOc1cc(F)c(Cl)cc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COAYBDMLAMVFJQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCCCCCOc1c(Cl)cccc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNNZUJDJRBFCC-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCCCCCOc1cc(Cl)ccc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTWXNJUDCABXGZ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOCCOc1c(Cl)cccc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSJYIPKIVLHEK-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOc1cc(ccc1Cl)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCLXMIGHABMROA-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOc1cc(Cl)cc(c1)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIAGGOHGBXOGNK-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOc1ccc(Cl)c(c1)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFOVHTBAXFHJMK-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cc(Cl)c(F)cc3O)c2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFPWKBEHKHVHE-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOc1ccccc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVIVLIXTGJACE-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOc1ccc(Cl)cc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDFMRWBALNHWAC-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCCCCCOc1ccccc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPDRJPVYNVHBQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCCCCCOc1ccc(Cl)cc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEWQJSJTANJINR-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCCCCCOc1cccc(Cl)c1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBIAOFSWATWTTA-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCCCCCOc1cc(F)c(Cl)cc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWRNJLCKNKEQNF-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOCCOc1ccccc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNHCTNZGMTQTA-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOCCOc1cc(Cl)ccc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPYKRPJXSJBBEP-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOCCOc1ccc(Cl)cc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IORKAYFARHABIF-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOCCOc1cccc(Cl)c1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPMIGMHXZFMMPF-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOCCOc1cc(F)c(Cl)cc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUFKFLLCQBKCT-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc3c2cc1OCCOCCOc1cccc(c1)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQBYZOTCIQTGW-HXUWFJFHSA-N", "SMILES:Cc1cc2cc(n1)-c1cnn(C)c1OCCC[C@@H](C)CN1/C(=N/C2=O)Nc2ccc(CN3CCN(C)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1197091", "category": ["biolink:ChemicalEntity"], "name": "HALOFUGINONE", "xref": ["InChIKey:LVASCWIMLIKXLA-UHFFFAOYSA-N", "SMILES:O=C(CC1NCCCC1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O"], "synonym": ["Halofuginone", "Halofuginone", "Halofuginona", "Halofuginone", "Halofuginon", "Halofuginone", "Ht-100", "HT-100"], "chembl_natural_product": true}
{"name": "Proline--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL5169225"], "id": "UniProtKB:P16659", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Proline--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL5169239"], "id": "UniProtKB:Q8XEY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:90370"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKBZBJGKDDIOHU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2CC2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIIOSMRGAPFDSI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2CC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBAXEIDKTUUHRA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2CC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKDQADLBJLSII-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXDYYGHAZUOEDU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNMAYXBWRXGBMF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIPDOGAIIQRGL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGVZAVHAKWMKI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFOBRQQLREXAV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIRWKFUVJBOSGF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYFIASSCTBLGCG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXYVCRBEHASOTP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMJVAFQMNKPLV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGQOLYMQYEWNC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDILTPAGJKVAM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOVOYXZIUBHOG-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Cn2nc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLRHBIAYPNDXJV-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFFMFQOJUSMLU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cc(C)cc(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTWWGKQSKDAYIV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cc(F)cc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHNFSSRMDBWFF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYFTSVEOBYSQW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2cc(F)c(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGBPTKFBBMVBQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDBNXFMLHFVUHI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(=O)O)nn1Cc1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMWFSFKIKDJHB-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLAFCNLDOZGNR-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTFLZVSCOJGXCT-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRISLFCHNBWQC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZDWIPQMXYPSN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(=O)O)nn1Cc1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECPVHFKPLMABI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(=O)O)nn1Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKKBKHEIKVUHK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(=O)O)nn1Cc1ccc(F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HESJMVAYIHIMAX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=O)c2ccco2)n(Cc2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJZVVRXEWXYJG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=O)c2cccs2)n(Cc2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBQOSWGOXVILK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDVQQYXWNRGLM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQXCCUVLDCYTBH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXGJSQXGFRRSA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)n(Cc2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYIEERDZUWNPX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(N)=O)nn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHWHZGAQVZOCE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(CC(=O)O)nn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEADHQIAAUNLKY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFLGPTXSIRAQK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGXJZCDFFBDSJJ-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCGANXSUHYMPGJ-WYMLVPIESA-N", "SMILES:C=CCNC(=S)/N=c1/sc2ccccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBSONPVFIVRBFO-UDWIEESQSA-N", "SMILES:COc1ccc(/C=N/NC(=O)C2CC2c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJUJYOIYOJEPL-HYARGMPZSA-N", "SMILES:COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMHMGFGCLBSAY-SFHVURJKSA-N", "SMILES:C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@H](C(C)(C)OC(C)=O)C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5175850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVIGCWWQYCPYPW-HOCLYGCPSA-N", "SMILES:OC[C@@H]1Cc2ccc(Cl)cc2[C@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHNHVSWGQSLZHA-RDJZCZTQSA-N", "SMILES:COC[C@@H]1Cc2ccc(Cl)cc2[C@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPDXXPXOFNXDB-LRDDRELGSA-N", "SMILES:OC[C@@H]1Cc2cc(Cl)c(Cl)cc2[C@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQFJWSBCJJTOKO-HOCLYGCPSA-N", "SMILES:OC[C@@H]1Cc2cc(Cl)ccc2[C@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZLMCNNTTGDCQF-LRDDRELGSA-N", "SMILES:OC[C@@H]1Cc2cc(Cl)c(F)cc2[C@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRMHFOCZUMPFJ-LRDDRELGSA-N", "SMILES:OC[C@@H]1Cc2c(Cl)cccc2[C@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZQQVMNJYYMVNU-RDJZCZTQSA-N", "SMILES:Cc1ccc2c(c1)C[C@@H](CO)N[C@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICDHQHUINMQCV-RDJZCZTQSA-N", "SMILES:Cc1ccc2c(c1)[C@H](c1ccccc1)N[C@H](CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHTWJDVMTVNMU-SWLSCSKDSA-N", "SMILES:OC[C@@H]1Cc2ccc(Cl)cc2[C@H](c2ccccn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPVOPCAYJJDFAA-ZFWWWQNUSA-N", "SMILES:OC[C@@H]1Cc2ccc(Cl)cc2[C@H](c2cccnc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVCQBJLUFMDDEH-RDJZCZTQSA-N", "SMILES:Cc1ccc([C@@H]2N[C@H](CO)Cc3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNUHEMJKAJPFO-BLLLJJGKSA-N", "SMILES:OC[C@@H]1Cc2cc(Cl)ccc2[C@H](c2ccccc2Cl)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTPJZDNDCKXXSJ-HOCLYGCPSA-N", "SMILES:OC[C@@H]1Cc2ccc(Cl)cc2[C@H](c2cccc(Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKPNVLQWPJGTBI-HOCLYGCPSA-N", "SMILES:OC[C@@H]1Cc2ccc(Cl)cc2[C@H](c2cccc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBWPIGSPJAYMX-YOEHRIQHSA-N", "SMILES:Cc1cc([C@@H]2N[C@H](CO)Cc3ccc(Cl)cc32)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXNCIKGFMMUIC-HOCLYGCPSA-N", "SMILES:OC[C@@H]1Cc2ccc(Cl)cc2[C@H](c2cc(F)cc(Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDYWVRNXBUCEH-HOCLYGCPSA-N", "SMILES:OC[C@@H]1Cc2ccc(Cl)cc2[C@H](c2cc(Cl)cc(Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNQOKUJGQHFQQC-HOCLYGCPSA-N", "SMILES:OC[C@@H]1Cc2ccc(Cl)cc2[C@H](c2cc(F)cc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMATIHLNDUMEG-HOCLYGCPSA-N", "SMILES:OC[C@@H]1Cc2cc(Cl)ccc2[C@H](c2cc(F)cc(Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEWHKFJGQQIEMD-WFASDCNBSA-N", "SMILES:OC[C@@H]1Cc2cc(Cl)ncc2[C@H](c2cc(F)cc(Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPSQDXDOHCGPU-ZFWWWQNUSA-N", "SMILES:OC[C@@H]1Cc2cc(Cl)cnc2[C@H](c2cc(F)cc(Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOCQJHUNCIRIPU-NVXWUHKLSA-N", "SMILES:N#Cc1ccc2c(c1)C[C@H](CO)N[C@@H]2c1cc(F)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVIGVFMZVILLQL-RDJZCZTQSA-N", "SMILES:N#Cc1ccc2c(c1)[C@H](c1cc(F)cc(Cl)c1)N[C@H](CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOCXMVHYNSFKMQ-RDJZCZTQSA-N", "SMILES:N#Cc1cc(F)cc([C@@H]2N[C@H](CO)Cc3cc(Cl)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOCQJHUNCIRIPU-RDJZCZTQSA-N", "SMILES:N#Cc1ccc2c(c1)C[C@@H](CO)N[C@H]2c1cc(F)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYOHMQINGIYDN-MXPGEODHSA-N", "SMILES:C[C@@H](C(=O)Nc1ccc(OC2CCN(C(=O)CCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYZSGBRIBHIEJU-XJCJAJRASA-N", "SMILES:C[C@@H](C(=O)Nc1ccc(OC2CCN(C(=O)CCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)N(C)C3=O)C4=O)CC2)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1"]}
{"name": "Type-1 angiotensin II receptor", "xref": ["CHEMBL.TARGET:CHEMBL3948"], "id": "UniProtKB:P34976", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMQVADGYRHDLZ-UHFFFAOYSA-N", "SMILES:CCCCc1nc(-c2ccccc2Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APUHMFHZEQXENQ-UHFFFAOYSA-N", "SMILES:CCCCc1nn(-c2ccccc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNTNVLAGAPSQSE-ZDUSSCGKSA-N", "SMILES:C[C@@H](c1oc2ccc(F)cc2c(=O)c1-c1cccc(F)c1)n1nc(-c2ccc(OC(F)F)c(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLIJXOOIHRSQRB-UHFFFAOYSA-N", "SMILES:CC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(C(C)O)[nH]n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4303155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXWYSCJSQVBQM-UHFFFAOYSA-N", "SMILES:CC1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFPYXRQGAYUNP-MXWPUIPCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJGYJPZYSQTACG-OKILXGFUSA-N", "SMILES:C[C@@H]1CN(c2ncc(F)c(Nc3ccc(NC(=O)c4cccc(Br)n4)cc3)n2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYIYYGXSDQMMQ-NUMDGUEPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZNKNKELHDTFR-UHFFFAOYSA-N", "SMILES:O=C(O)CC(C(=O)O)N1C(=O)SC(C2C(=O)Nc3ccc(Br)cc32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZILGMVUCXJAIFQ-KHPPLWFESA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXTJETQFYHZHNB-GASCZTMLSA-N", "SMILES:CNC(=O)COc1cc2cc(Nc3nc(N4C[C@H](C)C[C@H](C)C4)ncc3Cl)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQSHEMQKLUMPQB-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCN1C(=O)C(CCCCNC(=O)CCl)Oc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWFHYPAEXELKV-UHFFFAOYSA-N", "SMILES:O=C(CCl)NCCCCn1c(=O)[nH]c2ccc(Nc3ccc([N+](=O)[O-])cc3Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRZNMRSHUJOED-RBUKOAKNSA-N", "SMILES:Cc1ncccc1[C@H]1C[C@@H](c2cccc3nc(N)ccc23)Nc2c(F)cnn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWUMLVLLIWGQJ-UYEDPJPISA-N", "SMILES:CN1C(=O)CCc2cc3cc(c21)OCCOC[C@H]1CN(C(=O)CCC(=O)NCCCOCCOCCOc2cccc4c2C(=O)N(C2CCC(=O)NC2=O)C4=O)CCN1c1ncc(Cl)c(n1)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1721570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKDOZPQOEFYIRU-UHFFFAOYSA-N", "SMILES:Nc1ncnc(Nc2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGWVUCHNOJRMHP-OAHLLOKOSA-N", "SMILES:CN1CCN2c3nc(F)c(Cl)c(n3)Nc3cc4c(c(c3)OCCOC[C@H]2C1)N(C)C(=O)CC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMQYEDOPHKJCNL-KXVMHFFKSA-N", "SMILES:CCCn1c(=O)c(-c2ccc(C(=O)NCc3cccnc3)cc2)nc2ccc(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDFXQQVQADXKG-LIZTTWSOSA-N", "SMILES:CCCn1c(=O)c(-c2ccc(C(=O)NCc3cccnc3)cc2)nc2ccc(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJZDBCOWWJHEE-LPLKMGJNSA-N", "SMILES:CCCn1c(=O)c(-c2ccc(C(=O)NCc3cccnc3)cc2)nc2ccc(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBCAYKIMDWJZJD-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c(-c2ccc(C(=O)NCc3cccnc3)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYHZHMRYNRDNRX-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1ccc(-c2ccc(CNC(C)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASVOZNRTMBUBO-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(-c2ccc(CNC(C)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWOJZVLZASVBIJ-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(-c2ccc(CNC(C)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVKCLHGYDELFR-UHFFFAOYSA-N", "SMILES:CCCCCNNC(=O)c1ccc(-c2ccc(CNC(C)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRNNDPMTJKBTF-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVSZQHAMBUUAOG-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1ccc(CNC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFWUEMVXRQJAR-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NCc2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDJOGKDUEGBNPC-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(N2CCN(C)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAOGWCTZUZTXLI-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NCc2ccc(CNC(C)=O)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTRFQWDUARDPAI-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1cnc(NCc2cccc3ccccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDAMDJOJXKOHBK-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1cnc(NCCc2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTLAOALSJUULQM-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1cnc(NCc2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUWUSYPBTCEGGZ-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1cnc(NCc2ccc(CNC(C)=O)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAEKVVCEBJELGT-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(N2CCN(Cc3c[nH]c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZYGJCCLIZGBV-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1cnc(N2CCN(Cc3c[nH]c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNEXZSPQDZODIW-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1cnc(N2CCN(Cc3cn(C)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFURNFAEMKSLIT-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1cnc(N2CCN(CCc3c[nH]c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGKQFOSCVOFYNT-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1cnc(N2CCN(CCc3cn(C)c4ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWOGOTJVNBDGIG-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cnc(NCc2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIDQJUBOPKKJC-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NCc2cccc3ccccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRTXQKXAJTLJX-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NCc2ccccc2Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEZFUGAHSAFPT-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NCc2ccc(Cl)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFFUICWESENQM-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMGYYKOEOSUCFG-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1cccc(NCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOSUTIJKDOCIO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3cc(C(=O)NO)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQWATQOPNCOEQ-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NCCc2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSJMMVQCECRSTH-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1ccc(C)c(NCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZADVEIGDKAMHR-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCCCC(=O)NO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXLOTLIPAHCJB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCCCCC(=O)NO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKDUGVKWEQCWQY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCCCCCC(=O)NO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTFYCCPOFSWSRS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMZHRSNGXXMYQZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFDFAGWBLMYBX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCCCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJSCYQVOWYZMS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCCCCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVXZTXINLAKEHW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTHRBLRSHNEQKN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPCBIFWQMMSJO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGLOQFMJUZFTJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMVLDDIBAIRUIH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCCCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVBFVHTDQMQLA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCCCCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXXXHCKGRNFLJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCOc5ccc(C(=O)NO)cc5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXDKQASVFHPYLG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCOc5ccc(C(=O)NO)cc5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURTYFIQUYZYMN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCOc5ccc(C(=O)NO)cc5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQENQGTVHFJEKT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCCCOc5ccc(C(=O)NO)cc5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSJSBIYCNYSJNH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCC(=O)Nc5ccc(C(=O)NO)cc5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFYGBVJAWPTPMZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCc5ccc(C(=O)NO)cc5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJYHXQPUQKNPV-FMIVXFBMSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(Cc5ccc(/C=C/C(=O)NO)cc5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVGUJQCUVQDHDC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUROCKLLRJURKA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCC(=O)NO)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJLOOBOKQCVLB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(Cc5ccc(C(=O)NO)cc5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYFBDPCQCPPYCV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(Cc5cccc(C(=O)NO)c5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTSVXLBQIWWXQY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(Cc5ccc(CC(=O)NO)cc5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1189949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBNARIQGVGSGH-UHFFFAOYSA-N", "SMILES:Clc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVQNXPWVWEELS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWSTYBGZORTIM-UHFFFAOYSA-N", "SMILES:CN1CCN(S(=O)(=O)c2cccc(Nc3nc(NCc4ccccc4)c4ccccc4n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJAKYXONRWOPSL-UHFFFAOYSA-N", "SMILES:CN1CCN(S(=O)(=O)c2cccc(Nc3nc(NCc4cccs4)c4ccccc4n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAOKUGZNHCLKK-UHFFFAOYSA-N", "SMILES:CN1CCN(S(=O)(=O)c2ccc(Nc3nc(NCc4ccccc4)c4ccccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLTKPGNALFRHCU-UHFFFAOYSA-N", "SMILES:CCCNc1nc(Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEYYUVYSMXDKHY-UHFFFAOYSA-N", "SMILES:CCCNc1nc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWKCTYPQOUZHCI-UHFFFAOYSA-N", "SMILES:CC(C)CNc1nc(Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFNRLMVUNUUQAT-UHFFFAOYSA-N", "SMILES:CC(C)CNc1nc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMCLHOMPCYHNN-UHFFFAOYSA-N", "SMILES:CCCNc1nc(Nc2cccc(S(N)(=O)=O)c2)nc2cc(OC)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAYUEGULAYROL-UHFFFAOYSA-N", "SMILES:COc1cc2nc(Nc3cccc(S(N)(=O)=O)c3)nc(NCC(C)C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBXISXZVHFMSR-UHFFFAOYSA-N", "SMILES:COc1cc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(NCC(C)C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXACYLNZIIZPQO-UHFFFAOYSA-N", "SMILES:CN1CCN(S(=O)(=O)c2cccc(Nc3nc(NCc4ccccc4)c4ncn(C)c4n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWMPYHZHRRHQCM-UHFFFAOYSA-N", "SMILES:CN1CCN(S(=O)(=O)c2ccc(Nc3nc(NCc4ccccc4)c4ncn(C)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPCKSONNTVOBZ-UHFFFAOYSA-N", "SMILES:CCCNc1nc(Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc2c1ncn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAXMIQWSZPOXIZ-UHFFFAOYSA-N", "SMILES:CCCNc1nc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nc2c1ncn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIBPDLWNVDJIU-UHFFFAOYSA-N", "SMILES:CC(C)CNc1nc(Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc2c1ncn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUUNPPQPOCCYAM-UHFFFAOYSA-N", "SMILES:CC(C)CNc1nc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nc2c1ncn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHRMLZQDPCVBGF-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(NCc3ccccc3)nc(Nc3cccc(S(N)(=O)=O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBRIFCUXEALQKK-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(NCc3ccccc3)nc(Nc3ccc(S(N)(=O)=O)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJGBHIEZLISAO-UHFFFAOYSA-N", "SMILES:CN1CCN(S(=O)(=O)c2cccc(Nc3nc(NCc4ccccc4)c4nc[nH]c4n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKKWLVQLOHFVBO-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPGVHNBYTQEAID-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(Nc2nc(Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUVMKSGUXKXMK-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc(Nc2cccc(S(N)(=O)=O)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRASJZICJTURZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc(Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZMOAKJQDZKOGR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(Nc2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZSTXDSQFCUKA-UHFFFAOYSA-N", "SMILES:COc1cc2nc(Nc3cccc(S(N)(=O)=O)c3)nc(NC3CCN(C(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZKZGKJXYVAGN-UHFFFAOYSA-N", "SMILES:COc1cc2nc(Nc3cccc(S(N)(=O)=O)c3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBQYKHWDIBULA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(Nc2nc(NC3CCN(Cc4ccccc4)CC3)c3nc[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJWBZIJNMDTGQ-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ncco5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUSYSFGFIKJASG-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5n[nH]c(=O)o5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNOOSHKLQNSLU-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5cnco5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFLXUOIESJEBLX-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ncon5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHBQKCPEHTLTC-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5cncs5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRZQVLONYBEDE-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccsc5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHQZXARVXIRHCO-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccsc5Cl)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLZBGGATSIYAMM-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5cccs5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOMVBCKKNFGLOX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(CN3CCC(O)(Cn4cnc5c(-c6ccc(CN)cc6)n(C)nc5c4=O)CC3)c(Cl)c2)s1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXAWPLWWIBCIH-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccc[nH]5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFLZIZRXOKUOC-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-n5ccnc5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAJUGOAODAROLC-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-n5cccn5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGKFIJRYBCGPW-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1cc(-c2ccc(CN3CCC(O)(Cn4cnc5c(-c6ccc(CN)cc6)n(C)nc5c4=O)CC3)c(Cl)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUWLWVICWNDMQ-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccncc5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIBYYAYEGBJTJ-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccoc5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGLZNARGHUEDP-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGEBLHUNLRLQNV-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccc(C(=O)O)o5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTWZOCVFGKDEK-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(C5CCCO5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNNZPDQGBPTKOG-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(C5=CCCC5)cc4Cl)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4803149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQZDRXXVFOYWHG-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CN2CCC(O)(Cn3cnc4c(-c5ccc(CN)cc5)n(C)nc4c3=O)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAQFWJNUJKNYBM-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2c3ncn(CC4(O)CCN(Cc5ccc(-c6ccco6)cc5Cl)CC4)c(=O)c3nn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWOKZQKHJQQUNO-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2c3ncn(CC4(O)CCN(Cc5ccc(-c6ccco6)cc5Cl)CC4)c(=O)c3nn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTRBLOMIXBXWIB-UHFFFAOYSA-N", "SMILES:CCNCc1ccc(-c2c3ncn(CC4(O)CCN(Cc5ccc(-c6ccco6)cc5Cl)CC4)c(=O)c3nn2C)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVCPJMEMLODPJ-UHFFFAOYSA-N", "SMILES:CC(C)NCc1ccc(-c2c3ncn(CC4(O)CCN(Cc5ccc(-c6ccco6)cc5Cl)CC4)c(=O)c3nn2C)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITXXXBBVXAOXIF-UHFFFAOYSA-N", "SMILES:CCCNCc1ccc(-c2c3ncn(CC4(O)CCN(Cc5ccc(-c6ccco6)cc5Cl)CC4)c(=O)c3nn2C)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZELZQSMSKQGKIQ-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(CNC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAEGWEJGOPMFAP-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(CNCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHGKKCUCAXDBNG-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(C2(N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBSWPCOVWWWQAK-UHFFFAOYSA-N", "SMILES:Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(CNC=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWTARQGLOSORDJ-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(-c2c3ncn(CC4(O)CCN(Cc5ccc(-c6ccco6)cc5Cl)CC4)c(=O)c3nn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTNYSKMVYUEHC-UHFFFAOYSA-N", "SMILES:Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(CNC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDRHOKOETKYWJJ-UHFFFAOYSA-N", "SMILES:Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(CNS(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJPCBXAWJTVIU-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(C(=N)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCQXAXWSRYGURJ-UHFFFAOYSA-N", "SMILES:Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZAIOGLCGVXQEW-UHFFFAOYSA-N", "SMILES:Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHILVBDWNLNJSG-UHFFFAOYSA-N", "SMILES:Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSMRDQGARXWNY-UHFFFAOYSA-N", "SMILES:Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKCOCXIMEGOSOO-UHFFFAOYSA-N", "SMILES:Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNGANZFIRAHJO-UHFFFAOYSA-N", "SMILES:Cn1nc2c(=O)n(CC3(O)CCN(Cc4ccc(-c5ccco5)cc4Cl)CC3)cnc2c1-c1ccc(C(F)(F)F)cc1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 11", "xref": ["CHEMBL.TARGET:CHEMBL4630820"], "id": "UniProtKB:P51784", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKYDKLGPWRPMZ-LBPRGKRZSA-N", "SMILES:CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(O[C@@H](C)C(N)=O)cc1OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLCVYWUNXXAHGY-JTQLQIEISA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCCn1cc(-c3ncnn3CC(F)(F)F)nc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACNNPZTQXJOLZ-NSHDSACASA-N", "SMILES:CC(C)n1nc(N)nc1-c1cn2c(n1)-c1ccc(O[C@@H](C)C(N)=O)cc1OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGZRZHHSSNYBSI-JTQLQIEISA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCCn1cc(-c3nc(CO)nn3CC(F)(F)F)nc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIAWLRACCPXWPK-INIZCTEOSA-N", "SMILES:CC(C)n1nc(N)nc1-c1cn2c(n1)-c1ccc(N3CCC[C@H]3C(N)=O)cc1OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJWDPFORJGTEAM-AWEZNQCLSA-N", "SMILES:CC1(C)C(=O)NC(=O)N1c1cn2c(n1)-c1ccc(N3CCC[C@H]3C(N)=O)cc1OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEHXDMYLSWDOT-GJZGRUSLSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3CC[C@H](O)C3=O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZOMSOPPNZVIIX-HOTGVXAUSA-N", "SMILES:CO[C@H]1CCN(c2cn3c(n2)-c2ccc(N4CCC[C@H]4C(N)=O)cc2OCC3)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTAIOQLUUIDHAQ-AWEZNQCLSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3CCOC3=O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGUSAXQVGWETO-HNNXBMFYSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3CCCOC3=O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTMMMNQXSLVJY-HNNXBMFYSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3CCOCC3=O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTXLCLLIAGABDC-INIZCTEOSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3CCCOCC3=O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJMJZJAJYZGTH-INIZCTEOSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3CCOCCC3=O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJGWPIPICFFKB-INIZCTEOSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3CCn4nccc4C3=O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUODYWGISXWRR-DOMZBBRYSA-N", "SMILES:C[C@@H]1COC(=O)N1c1cn2c(n1)-c1ccc(N3CCC[C@H]3C(N)=O)cc1OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTTVIUQQDMGRU-WFASDCNBSA-N", "SMILES:C[C@H]1CN(c2cn3c(n2)-c2ccc(N4CCC[C@H]4C(N)=O)cc2OCC3)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTTVIUQQDMGRU-DOMZBBRYSA-N", "SMILES:C[C@@H]1CN(c2cn3c(n2)-c2ccc(N4CCC[C@H]4C(N)=O)cc2OCC3)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLVCERILQPIBJR-ZBFHGGJFSA-N", "SMILES:COC[C@@H]1COC(=O)N1c1cn2c(n1)-c1ccc(N3CCC[C@H]3C(N)=O)cc1OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGFCEIOJGMOJB-IRXDYDNUSA-N", "SMILES:CC(C)[C@@H]1COC(=O)N1c1cn2c(n1)-c1ccc(N3CCC[C@H]3C(N)=O)cc1OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDAHNLPUDPLEZ-ZFWWWQNUSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)(F)F)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAXEWUVZAHJHG-HOCLYGCPSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3C(=O)CC[C@H]3C(F)(F)F)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDIERLBAMPDRL-KBPBESRZSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMQRFYZJVQBPOW-HIFRSBDPSA-N", "SMILES:NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3CF)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMYLBMXJKDZJF-INWMFGNUSA-N", "SMILES:NC(=O)[C@@H]1[C@H](F)CCN1c1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)(F)F)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STBVKUZLGZLWDF-KMFMINBZSA-N", "SMILES:CO[C@@H]1CCN(c2ccc3c(c2)OCCn2cc(N4C(=O)OC[C@H]4C(F)(F)F)nc2-3)[C@@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKCDFTFYFCPSMS-ZFWWWQNUSA-N", "SMILES:NC(=O)[C@@H]1COCCN1c1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)(F)F)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWMHIYOUGNZIO-ZANVPECISA-N", "SMILES:C[C@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)(F)F)nc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFIWRMSGZOGOIP-JSGCOSHPSA-N", "SMILES:CC[C@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)(F)F)nc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOBYMPJYDLLHC-HOCLYGCPSA-N", "SMILES:CC(C)[C@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)(F)F)nc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZDUMFRYZCPIIG-HOCLYGCPSA-N", "SMILES:NC(=O)[C@@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)(F)F)nc1-2)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOPYFTWXEBQKMU-RDJZCZTQSA-N", "SMILES:NC(=O)[C@@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)(F)F)nc1-2)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUSWHXYYRGYCHG-BBRMVZONSA-N", "SMILES:NC(=O)[C@@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTBCYFVRARNAY-DYVFJYSZSA-N", "SMILES:NC(=O)[C@@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3CF)nc1-2)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHSKSJFGOLQNQO-CABZTGNLSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMFMHNWLVDMGHT-INIZCTEOSA-N", "SMILES:O=C1c2cc(Br)c(Cl)cc2C[C@H]2c3ccccc3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNBGIJVWMDWTHC-YRPNKDGESA-N", "SMILES:CC(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVGEUOSRRTZCI-QYOOZWMWSA-N", "SMILES:CC(=O)Nc1cccc(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSXJUUUKXUXFY-XARGGIHNSA-N", "SMILES:COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHSUXXDLHROMO-AANQFLQQSA-N", "SMILES:CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARYZNEKPRLHTGP-DALQMPMDSA-N", "SMILES:COC(=O)C1CCC(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQGFHNMYQILCBU-WOZUAGRISA-N", "SMILES:Cc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)CC#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLNGBZYYQSJTNL-WOZUAGRISA-N", "SMILES:Cc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)Cn2cnnn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNEBYUITDMGYTI-NDBXHCKUSA-N", "SMILES:Cc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCN(S(C)(=O)=O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEPXWDCXYAYQPU-NDBXHCKUSA-N", "SMILES:Cc1csc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCN(S(C)(=O)=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLLOZIYSQGWSLE-KIHHCIJBSA-N", "SMILES:Cc1ccsc1[C@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)NC(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKPYJKZNAPVSV-BJESRGMDSA-N", "SMILES:Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVQBPRGWTISAPS-KGSLCBSSSA-N", "SMILES:Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccsc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZNVXQZJVHWBAJ-KGSLCBSSSA-N", "SMILES:Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4240742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKTSRDCWOLYNCZ-LRSLUSHPSA-N", "SMILES:Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cscn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZADGVCEHBLIRV-WEMPKCCASA-N", "SMILES:Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C(F)(F)F)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWINSTWELUZATL-KIHHCIJBSA-N", "SMILES:COCc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XADGEXPZZCPUIH-XUJYPJAKSA-N", "SMILES:Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)N3CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1)CCN(C(=O)C(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNHYOHQPDHUOP-QYOOZWMWSA-N", "SMILES:CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccsc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QETUKYDWZIRTEI-ILVMPNSOSA-N", "SMILES:CC(=O)N[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYILJVNTYJYEU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(NC(=O)COCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTJNYVXLFRBJGN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(NC(=O)COCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIMQZVJWQNYTNN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(NC(=O)CCOCCOCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRZPEATCWEQJO-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(NC(=O)CCOCCOCCOCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYDLBMZXZRXKND-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(NC(=O)CCOCCOCCOCCOCCNC(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLCLMHMOFLVSV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(NC(=O)CCCCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWSWTFCHCVJBEB-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(NC(=O)CCOCCOCCOCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccc2n1Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATDHSREQSFFRV-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(NC(=O)CCOCCOCCOCCOCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccc2n1Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFOPMODUYSQGP-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(NC(=O)CCOCCOCCOCCOCCNC(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccc2n1Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDHVDIXYSXIRN-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(NC(=O)CCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccc2n1Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYVCBMQCHHPSW-QWFCFKBJSA-N", "SMILES:CC(C)[C@H]1CO[C@]23CCN(Cc4ccccc4)C[C@H]2CCC(=O)N13"]}
{"name": "Type II NADH:quinone oxidoreductase Ndh", "xref": ["CHEMBL.TARGET:CHEMBL5169228"], "id": "UniProtKB:P95160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBHJBBTUJVMCK-YFVAEKQCSA-N", "SMILES:COc1ccc(CN2CC[C@]34OC[C@H](C(C)C)N3C(=O)CC[C@@H]4C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODUYWULJYRWPSN-YVWKXTFCSA-N", "SMILES:CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(Cl)cc4)C[C@H]2CCC(=O)N13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAMPCWHQTAFLOF-QWFCFKBJSA-N", "SMILES:CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(C(F)(F)F)cc4)C[C@H]2CCC(=O)N13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NELFXUPMACHOGC-YVWKXTFCSA-N", "SMILES:CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(OC(F)(F)F)cc4)C[C@H]2CCC(=O)N13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCSXGXGTCGKOK-GPMSIDNRSA-N", "SMILES:CC(C)[C@H]1CO[C@]23CCN(Cc4ccc(C(F)(F)F)nc4)C[C@H]2CCC(=O)N13"]}
{"name": "Type II NADH:quinone oxidoreductase NdhA", "xref": ["CHEMBL.TARGET:CHEMBL5169229"], "id": "UniProtKB:P95200", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNKKRQUWDRVKP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c3c([nH]c(=O)c2C#N)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIIMAMXNWMBZCD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c3c([nH]c(=O)c2C#N)C(C)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKMCZMGTPIYWKD-UHFFFAOYSA-N", "SMILES:CCC1CCCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAHEAGCVRTHMX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c3c([nH]c(=O)c2C#N)C(C(C)C)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLRUDRIVZIRRV-UHFFFAOYSA-N", "SMILES:CCCC1CCCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFSBJMHRTLAHLX-UHFFFAOYSA-N", "SMILES:CCOC1CCCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJVYOOXLXMRFHA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c3c([nH]c(=O)c2C#N)C(CC(C)C)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNBKZQZFLHKEDL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c3c([nH]c(=O)c2C#N)C(CC(F)(F)F)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMBIWIUHTQCZPM-UHFFFAOYSA-N", "SMILES:CCCCC1CCCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTDVIXHZDRNCRY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c3c([nH]c(=O)c2C#N)C(C)CCN3)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMOZDQXPPSSRC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c3c([nH]c(=O)c2C#N)C(C)NCC3)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBIVNJVPIOCNDX-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MARNYLSSCKMPCE-UHFFFAOYSA-N", "SMILES:CCCC1CCCc2c(-c3ccc(C)cc3)nc(=O)[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSAGHGYXMZCOFK-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C#N)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVBKZIHLESQCKV-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ccncc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVJWTNKSZKZIBD-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)nc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHYSHIHQZVOKKG-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ccc(CC)cn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZBNIWXLJAMCNX-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1cc(CC)no1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLXCLMHVBLSAIB-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ncc(CC)s1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHWIQBEBZYWKK-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(c2c(C#N)c(=O)[nH]c3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGLTLJODIEFIQ-UHFFFAOYSA-N", "SMILES:CCc1ccnc2c(N3CCC(C)(C)CC3)c(C#N)c(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEWVYJCVXLBGH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C#N)c(=O)[nH]c3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRXVUZJPEPMGHQ-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC(C)(C)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOPGTHEWXSYED-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFHTYDWWVCEANZ-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC(C#N)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVOZYMPVGIVNJX-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CC1)CC2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATERTBWAPNVZNL-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CC2)C(F)(F)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUSDNDGZAFFTFR-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CC1)CC2(F)F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRSVUDHALCGGM-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CCC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACBOKLVNCGZMC-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CC1)COC2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHKLBBBBIRJBE-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CCCC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNEYOZNYUDRJGI-UHFFFAOYSA-N", "SMILES:CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CCOC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVUOEVCKUGISBU-UHFFFAOYSA-N", "SMILES:CCCC1CN(CC(=O)N2CCc3ccccc32)Cc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1"]}
{"name": "High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A", "xref": ["CHEMBL.TARGET:CHEMBL3638358"], "id": "UniProtKB:Q8QZV1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHWCBTXYNBHLO-HNNXBMFYSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)C(F)(F)S(=O)(=O)F)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBKURSLDNAKNLU-INIZCTEOSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)CCl)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKMXPBKFPGZLQI-INIZCTEOSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)CBr)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQABYHMQIZTQLO-KRWDZBQOSA-N", "SMILES:C#CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2cccs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABLWKKWGOKHDC-REZHCTFOSA-N", "SMILES:[2H][C@](C(=O)N[C@@H](C)c1ccc(F)cc1)(c1cccnc1)N(C(=O)C(C)=O)c1ccc2c(c1)oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXGIYKRRPGCLFV-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXKOLGQSWIVHC-UHFFFAOYSA-N", "SMILES:Cl.O=C1C=C(Nc2ccccc2N2CCNCC2)C2=NS(=O)(=O)c3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKMFSRZOWBLST-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cccc2c1C(=O)C(Nc1ccccc1)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTGORSKTHIBLJT-OFUOTVDYSA-N", "SMILES:O=C(/C=C/c1ccccc1)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCNC1=O)C(=O)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDOYISRKBCACH-UHFFFAOYSA-N", "SMILES:CC1=NC2C(=O)C(Nc3ccc(C)cc3)=CC(=O)C2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJUSHPRWLJPSE-MRDSBFLISA-N", "SMILES:COC(=O)/C=C/C(=O)NNC(=O)/C=C/c1ccccc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJTYFRXZEQXMIA-FKIZINRSSA-N", "SMILES:C[C@@H](c1cn(-c2ccc(Cl)cc2F)nn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQXRHYUUVNHBAA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3=CCN(C(=O)C4CC4(F)F)C3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMPVOWKKSXZPH-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3=CCN(C(=O)C4(F)CC4)C3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQOYUNGZSQNMP-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3=CCC(NC(=O)C4CC4(F)F)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAWRDQWSJYLKZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3=CCC(NC(=O)C4CC4)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOWAAWFHZDQRRS-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3=CCN(C(=O)C4CC4)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKDWSJGLLIFBM-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC(NC(=O)C4CC4(F)F)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPAZYJJBCFIHMM-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC(NC(=O)C4(F)CC4)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEDMOQUVDLNINX-HOTGVXAUSA-N", "SMILES:O=C(Nc1nc2cccc([C@H]3CCC4(CCN(C(=O)[C@@H]5CC5(F)F)CC4)C3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEDMOQUVDLNINX-CVEARBPZSA-N", "SMILES:O=C(Nc1nc2cccc([C@@H]3CCC4(CCN(C(=O)[C@@H]5CC5(F)F)CC4)C3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKYMLHPKZYWKI-KBPBESRZSA-N", "SMILES:O=C(Nc1nc2cccc([C@H]3CCC4(C3)CN(C(=O)[C@@H]3CC3(F)F)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKYMLHPKZYWKI-KGLIPLIRSA-N", "SMILES:O=C(Nc1nc2cccc([C@@H]3CCC4(C3)CN(C(=O)[C@@H]3CC3(F)F)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQOYUNGZSQNMP-KBPBESRZSA-N", "SMILES:O=C(Nc1nc2cccc(C3=CC[C@H](NC(=O)[C@@H]4CC4(F)F)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQOYUNGZSQNMP-KGLIPLIRSA-N", "SMILES:O=C(Nc1nc2cccc(C3=CC[C@@H](NC(=O)[C@@H]4CC4(F)F)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQOYUNGZSQNMP-ZIAGYGMSSA-N", "SMILES:O=C(Nc1nc2cccc(C3=CC[C@@H](NC(=O)[C@H]4CC4(F)F)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQOYUNGZSQNMP-UONOGXRCSA-N", "SMILES:O=C(Nc1nc2cccc(C3=CC[C@H](NC(=O)[C@H]4CC4(F)F)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKDWSJGLLIFBM-KWCYVHTRSA-N", "SMILES:O=C(Nc1nc2cccc([C@H]3CC[C@@H](NC(=O)[C@H]4CC4(F)F)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKDWSJGLLIFBM-YUTCNCBUSA-N", "SMILES:O=C(Nc1nc2cccc([C@H]3CC[C@@H](NC(=O)[C@@H]4CC4(F)F)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKDWSJGLLIFBM-MRVWCRGKSA-N", "SMILES:O=C(Nc1nc2cccc([C@H]3CC[C@H](NC(=O)[C@H]4CC4(F)F)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKDWSJGLLIFBM-UBHSHLNASA-N", "SMILES:O=C(Nc1nc2cccc([C@H]3CC[C@H](NC(=O)[C@@H]4CC4(F)F)CC3)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBRBLXZHXVFSPN-KRWDZBQOSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)[C@@H]3CC3(F)F)CC4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLBRDUTBJVBQN-DRCDNIGYSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)[C@@H]3CC3(F)F)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLBRDUTBJVBQN-RPYGNYITSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)[C@H]3CC3(F)F)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWPVTYWIZWDOF-UHFFFAOYSA-N", "SMILES:N#CCC(=O)N1CCC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZUPGSOTNUPIIH-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)CC(F)(F)F)CC4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDKAMXSFCIYIH-UHFFFAOYSA-N", "SMILES:N#CCC(=O)N1CCC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFYLYUZYTTWHMK-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CCN(C(=O)CC(F)(F)F)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZCKEAERAZUAW-UHFFFAOYSA-N", "SMILES:N#CCC(=O)N1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPWAFLAKBGKNY-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)CC(F)(F)F)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUHWHPRPDJDQE-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)C3CC3(F)F)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUHWHPRPDJDQE-OAHLLOKOSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)[C@H]3CC3(F)F)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUHWHPRPDJDQE-HNNXBMFYSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)[C@@H]3CC3(F)F)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQYLALYCIXZGJX-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)C3(F)CC3)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMQNBYVKJXQSLH-UHFFFAOYSA-N", "SMILES:N#CC1(C(=O)N2CC3(CCC(c4cccc5nc(NC(=O)C6CC6)nn45)CC3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHNDJUYEDBRJRX-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)CC(F)F)C4)n2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPBHPWFZPIPDGP-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)C(=O)N1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNOKYCJESLRKP-UHFFFAOYSA-N", "SMILES:N#CCN1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYLAAWAFUMTKJ-UHFFFAOYSA-N", "SMILES:N#CCCN1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGJIKURQDMMQZ-YUDQIZAISA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERCEIGOROJLAY-RBQQCVMASA-N", "SMILES:C[C@H](NC(=O)C(c1cnccn1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POPWPHIGQFWRDK-IHOKFDBFSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C2CCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJXPUSRCRCOWEQ-QDLLFRBVSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2cccs2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGJIKURQDMMQZ-IHOKFDBFSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWSAFKJOGMCKZ-QDLLFRBVSA-N", "SMILES:C[C@H](NC(=O)C(c1cnccn1)N(C(=O)c1c[nH]cn1)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFVOOMGEUDYSTE-RBQQCVMASA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccno1)c1ccc(C2CCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXFUFQTNVWHME-XYXHBKGXSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-n2cccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZTKCADKVFEBSP-RBQQCVMASA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVUXRRMNMASTR-UHFFFAOYSA-N", "SMILES:O=C(NCCCc1ccccc1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWPFRNAKGQTGOK-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1ccccc1)c1ccccc1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSGFTPGMRLXJV-RBQQCVMASA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccn2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUMZUXZKZLXSW-LWAJAQLZSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc([Si](C)(C)C)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODDDBMSKPRAAE-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXLNXQQCDCGFLH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIRLSXXITHQIMD-RBQQCVMASA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccno1)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNOUKGOBWQZPOV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUSQHGCLSCLBK-QDLLFRBVSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccco2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHRVKARLOVBRJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMEKWEAKEKVEHF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CC2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHYGWZUSDXIHQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLZURSBQLFFPCE-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C(c1cnccn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWIYZOIKWPXEB-RBQQCVMASA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1cnco1)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMIBWJNRQASNC-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDFBTZVUPSJIJ-QASNXKAYSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(N2CCCCC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BROLJTKQRJMMHO-LWAJAQLZSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKLYROLISOJUEM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLIAUWAYLJLCJT-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGOVLTVDNDLBEO-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C(c2cccnc2)N(C(=O)c2ccco2)c2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOVOWGAZPCBIJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)Nc2ccc(F)cc2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWXQKBXORVZIJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCn2nnc3ccccc32)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFFQDEHJIFFRBV-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPFAPGKAYCRHKV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCc2ccccc2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVUDAPUVFJLICX-LWAJAQLZSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(OC(C)(C)C)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUUHHCBBPQRRQS-ACXKHFGCSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(Cc2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAQLWBLTMZOOO-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/c2ccc(OCCCCCCC(=O)NO)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTVXHVQJYHEFL-OYDLWJJNSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)C3(C(F)(F)F)CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJWLVLOGHATRZ-NWVWQQAFSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)c3c(C(F)(F)F)cccc3C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVFMRMSQBLLRFB-HRNNMHKYSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)c3c(C)cc(C)nc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSIDWWRICRQTA-NYVOZVTQSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)C(C)(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQNMIBIMRDZGLC-NYVOZVTQSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)C(C)(C)C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNUOOXQKGWPVRL-YYWHXJBOSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)C(C)(C)C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBHNHGTZQNIEF-VJBMBRPKSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)C3(C)OCCCO3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSRIXUCOJKCCJJ-TUSQITKMSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHAHSNXJBQCKEG-NWVWQQAFSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)c3c(Cl)cccc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFYSTXWNQVFKTC-IGKWTDBASA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)c3ccccn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIRIGTQPZIKIAF-IGKWTDBASA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBIOTHYZUQBSL-OYDLWJJNSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOSDANWQBTXOLM-OPXMRZJTSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)c3c(C(F)(F)F)cc(C)nc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNFGOKUCIAOPPF-TUSQITKMSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)c3c(C)nc(C)nc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALFXGDWJKEEGP-OYDLWJJNSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)c3c(C)nn(C)c3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEPKTDPAERLPET-IHPCNDPISA-N", "SMILES:CC(=O)OCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKJFKJKSOABDF-IGKWTDBASA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COC(=O)c3c(C(F)(F)F)cc(C)nc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHORQMDGKYJLY-JBACZVJFSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHGOOXRIHBVNFX-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)NCCc1ccc(Cl)c(Cl)c1)NCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INHOWQYDZYOWPH-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=O)CCNC(=O)c1cc(-c2ccc(F)cc2F)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALEZXAZWKJNFPF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc3ccccc3c2)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81721", "category": ["biolink:ChemicalEntity"], "name": "TRIIODOPHENOL", "xref": ["InChIKey:VAPDZNUFNKUROY-UHFFFAOYSA-N", "SMILES:Oc1c(I)cc(I)cc1I"], "synonym": ["2,4,6-Triiodo-Phenol(Tip)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLGFOYVTXJFJP-PZKKRVAUSA-N", "SMILES:CCCCN(CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHFPEICFUVWJIS-WPDLWGESSA-M", "SMILES:O=C([O-])c1cc(/N=N/c2cccc([N+](=O)[O-])c2)ccc1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYZHQOYMVODGQV-FOCLMDBBSA-N", "SMILES:O=C(O)c1cc(/N=N/c2cccc([N+](=O)[O-])c2)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIJHYGQRKUSXIP-WZTVWXICSA-N", "SMILES:CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)c1cc(-c2ccc(F)cc2F)cc(I)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNYXNZQHBMANU-UHFFFAOYSA-N", "SMILES:C=Cc1cc2oc(-c3ccc(O)c(F)c3)nc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMACYDZFBMGOR-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1ccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OASIGFOZMTYWOR-SAABIXHNSA-N", "SMILES:CCCCNc1ncc(C(=O)NC2CCN(CCF)CC2)c(N[C@H]2CC[C@H](O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOWRWJFANSWOCN-UAPYVXQJSA-N", "SMILES:CCCCNc1ncc(C(=O)NC2CCN(CCCF)CC2)c(N[C@H]2CC[C@H](O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVQYTNHIHIIOCN-KESTWPANSA-N", "SMILES:CCCCNc1ncc(C(=O)NC2CCN(CC3CC3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOWRWJFANSWOCN-URMQAUSWSA-N", "SMILES:CCCCNc1ncc(C(=O)NC2CCN(CCC[18F])CC2)c(N[C@H]2CC[C@H](O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPMLKUVOVSVMID-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2cccc(NC(=O)c3c(F)ccc(O)c3CN3C(=O)c4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSPSPBKQQQAFJU-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2cccc(NC(=O)c3c(F)ccc(O)c3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEOPDLSNUIJOSR-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2cccc(NC(=O)c3cc(O)ccc3F)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEDETIDNJUQIZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3-c3cccc(NC(=O)c4c(F)ccc(O)c4CN4C(=O)c5ccccc5C4=O)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSSDWRDTZUAIT-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2ccn3ncc(C(=O)Nc4cnn(C)c4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKYZOUCTWDUOZ-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)Nc4cnn(C)c4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVQCXZLBLLNPCB-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)NC4CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKCMKVSZGZVPIF-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)NC4CCC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBSOMKJTNWRJBO-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)NC4COC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBLFBUFUDRICQ-KSSFIOAISA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CCOC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKONQDZYNDBPBD-SUMWQHHRSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CNC(=O)C4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFVVDMVICDHIG-KNBMTAEXSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CC[C@H](C(=O)O)CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZDEQHQWPPABS-YSSFQJQWSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CC[C@H](N)CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSFIASCXZWSQM-KGLIPLIRSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H](C)CO)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCCILOGVJUOQQ-XOBRGWDASA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@@H](CO)C4CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTOKFSQYVFDRK-KKXDTOCCSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4C[C@H](O)C4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJAFXPJUBHYAHR-GDIGMMSISA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@@H]4CC[C@@H](O)C4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBADQPVOAILYHQ-YSSFQJQWSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CC[C@H](O)CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGFFIKTUXPKKAT-OLTRKWAKSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CC[C@](C)(O)CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGFFIKTUXPKKAT-QINQMWDZSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CC[C@@](C)(O)CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XANZNPICXVINSW-LBPRGKRZSA-N", "SMILES:COc1cc(-c2ccn3nc(N)c(C(=O)NC4CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXENGEDOMHZTNY-NSHDSACASA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMYKBETUHPQRLG-ZDUSSCGKSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(C3CC3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRKWMFIXRYQLSD-AWEZNQCLSA-N", "SMILES:CC(C)c1cc(-c2ccn3nc(N)c(C(=O)NC4CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISPEWWJGFBTMD-NSHDSACASA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(C(F)(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJXDVWJTIOHBGS-NSHDSACASA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(OC(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUHXTSZPVFFXOL-NSHDSACASA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(OC(F)(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRPOLHEDYFDBC-LBPRGKRZSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(S(C)(=O)=O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSLSYHQEXCFTLS-ZDUSSCGKSA-N", "SMILES:CCS(=O)(=O)c1cc(-c2ccn3nc(N)c(C(=O)NC4CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUJCKTDPKHDKIU-ZDUSSCGKSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(S(=O)(=O)C3CC3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCVPRCJMVAWOBT-AWEZNQCLSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(S(=O)(=O)C3CCC3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGRQFHRGTVOPPV-AWEZNQCLSA-N", "SMILES:CC(C)S(=O)(=O)c1cc(-c2ccn3nc(N)c(C(=O)NC4CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEFYBXDEPQQEM-LBPRGKRZSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2ccn3nc(N)c(C(=O)NC4CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLBUOCDMKFOGO-LBPRGKRZSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYZJEDZJBWGLFY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)NC4CC4)c3n2)cc2c1C(=O)N(CC1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGZIRYFUXUEIQ-UHFFFAOYSA-N", "SMILES:CCN1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCQMDAUPXZWSBO-IBGZPJMESA-N", "SMILES:Cc1cc(-c2ccn3nc(N)c(C(=O)NC4CC4)c3n2)cc2c1C(=O)N([C@@H](C1CC1)C(F)(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMDCSCOBIXDWRO-IBGZPJMESA-N", "SMILES:CS(=O)(=O)Nc1cc(-c2ccn3nc(N)c(C(=O)NC4CC4)c3n2)cc2c1C(=O)N([C@@H](C1CC1)C(F)(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVSVSACTSIIEOY-JTQLQIEISA-N", "SMILES:C[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKKGUQHKALIMOX-INIZCTEOSA-N", "SMILES:CC[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKMKYCZTOXYGQP-IBGZPJMESA-N", "SMILES:CC(C)[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWROBCBHWLXJPJ-GTNSWQLSSA-N", "SMILES:C[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@@H](CO)C5CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGUJYVWXLUTIA-ADHMFCJJSA-N", "SMILES:C[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@H]5CC[C@@](C)(O)CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYMNPBPRBGNRS-ZBEGNZNMSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2ccn3nc(N)c(C(=O)N[C@@H](CO)C4CC4)c3n2)cc2c1C(=O)N([C@@H](C)C(F)(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZZVAGVGORHTO-VAZLSXMYSA-N", "SMILES:CNS(=O)(=O)c1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CC[C@](C)(O)CC4)c3n2)cc2c1C(=O)N([C@@H](C)C(F)(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHNJQVIBXSHRY-QFYYESIMSA-N", "SMILES:C[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@@H](CO)C5CC5)c4n3)cc(Cl)c2C1=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJCNPACYZHXMD-BUXKBTBVSA-N", "SMILES:C[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@@H](CO)C5CC5)c4n3)cc(C3CC3)c2C1=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZQMQCKFXBUAPA-BONVTDFDSA-N", "SMILES:C[C@H](N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@@H](CO)C5CC5)c4n3)cc(OC(F)F)c2C1=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDSKZQKRFOXKP-RBZFPXEDSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@@H](CO)C5CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGFZOXHCPIFTF-WLNXWIOISA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@H]5CC[C@](C)(O)CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGSPCVJTIYJJKQ-BMEKPBSDSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@H]5CC[C@](O)(C(F)(F)F)CC5)c4n3)cc(NS(C)(=O)=O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOENGAAEMPUVMU-SGTLLEGYSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@@H](CO)C5CC5)c4n3)cc(OC(F)(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTQVEFWTQUXFU-SGTLLEGYSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@@H](CO)C5CC5)c4n3)cc(OC(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULSIRXENHFWFG-BMEKPBSDSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@H]5CC[C@@](C)(O)CC5)c4n3)cc(OC(F)(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMVIVLVCKGULO-JWPZTYLUSA-N", "SMILES:C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)N[C@H]5CC[C@@](C)(O)CC5)c4n3)cc(OC(F)F)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLUYWUYIFDQKX-YGVSIWEKSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCN(C)CC2)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4598338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCRMEZBXWRMEQ-JSGUNGOHSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMTIJVSUXSYPRE-OAMSZMPYSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C2CCN(C)CC2)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4596647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTDXHJIDZCYDHI-UOIWUHIWSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRSWSAIRZXKLJ-HKRYSNRMSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKHIFPADFILZDQ-KJXAQDMKSA-N", "SMILES:COc1ccc2c(c1)[C@H]1[C@H](CCN1CCc1ccc(Cl)cc1)[C@H]1CCCN21"]}
{"name": "Eukaryotic translation initiation factor 4E-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5169161"], "id": "UniProtKB:Q62622", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJMADWAPLKRSFA-UHFFFAOYSA-N", "SMILES:O=C(O)C=Cc1ccc(-c2ccc(OCC(=O)NO)c(C34CC5CC(CC(C5)C3)C4)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJPEZHKJKJZHS-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(-c2ccc(C=CC(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAWBIEIZDDIEMW-UHFFFAOYSA-N", "SMILES:O=C(O)C=Cc1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXAENYIJDOHQI-HNAYVOBHSA-N", "SMILES:COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNMBCXPZDPUJT-AWEZNQCLSA-N", "SMILES:CCCCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNMBCXPZDPUJT-CQSZACIVSA-N", "SMILES:CCCCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZHAININDSLSH-MRXNPFEDSA-N", "SMILES:CCCCCCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIMCZMJTNGFZNC-UHFFFAOYSA-N", "SMILES:CNCc1cc2c(cc1-c1cc3ccc4c(c3cn1)OCO4)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJFGQRZFBYWBC-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cc2c(cc1-c1cc3ccc4c(c3cn1)OCO4)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBIUOFPWZSBMU-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPAUTSWUJUYGK-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUXYXUSWMVGGNN-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPIJLAFOWEBHZ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(-n2ccc3ccccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEMWMGUQXCHQTF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(-n2ccc3ccccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYSBFHPZOPASG-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(-n2cnc3ccccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMRXEPLLMHUMV-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(-n2cnc3ccccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICVDIGNVDJKDQ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTXZVZQHQAJQE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOHODJPJVIVEGD-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMRLCSWVZHWSMO-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4nc(Oc5cccc6c5C(=O)CC6)c5cc[nH]c5n4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDYKSFWBBIAWCM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2ccc(C)c3c2C(=O)CC3)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYQHVQIMYFXEC-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc3[nH]ccc23)c2c1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAUNMYAWNHHHI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Oc4cccc5c4C(=O)CC5)c4cc[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATZQEUDGNTVPR-UHFFFAOYSA-N", "SMILES:O=C1CCc2cccc(Oc3nc(Nc4ccc(N5CCOCC5)cc4)nc4[nH]ccc34)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKNFGBNZBZFQT-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPUTZINQPKHSH-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2ccsc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSFGGNZZOGUHTQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Oc4cccc5c4C(=O)CC5)c4sccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAGNFAQJQYTVIG-UHFFFAOYSA-N", "SMILES:O=C1CCc2cccc(Oc3nc(Nc4ccc(N5CCOCC5)cc4)nc4ccsc34)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUGDSHIONJOJDU-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCDUVFEFPNMQB-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSDWTGPWUTSNB-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAREYAJUMHKBI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFJQRXCNZVCNH-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTVODBYHFYPCFQ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDUHUPEXRWKQG-CALCHBBNSA-N", "SMILES:COc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGYJAIPLWRHQQE-ROUUACIJSA-N", "SMILES:COc1cc(N2C[C@@H]3C[C@H]2CO3)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQPJMMSBMYBLJO-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CCNCC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGSMIQRGJAWNI-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVIVSXLWDKRRO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Oc4cccc5c4C(=O)CC5)c4cc[nH]c4n3)c(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMADCPJGBSNNOL-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCRJGHZTCTCIO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Oc4cccc5c4C(=O)CC5)c4cc[nH]c4n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJPACRYQMPZOD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Oc4cccc5c4C(=O)CC5)c4cc[nH]c4n3)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSCRIGOGNPMQG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Oc4cccc5c4C(=O)CC5)c4cc[nH]c4n3)cc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMDXBHJUTQVFIL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Oc3cccc4c3C(=O)CC4)c3cc[nH]c3n2)ccc1N1CCN(CC2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSLRHEPMZIRWMU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Oc3cccc4c3C(=O)CC4)c3cc[nH]c3n2)ccc1N1CCN(C2COC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWMXSPQXIYUFRB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Oc3cccc4c3C(=O)CC4)c3cc[nH]c3n2)ccc1OCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVYHHOJUOOLZNI-UHFFFAOYSA-N", "SMILES:COc1nc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cccc3c2C(=O)CC3)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAGSMAPQQLAPL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(Oc3cccc4c3C(=O)CC4)c3cc[nH]c3n2)n(C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJGXVWSYYHYGKU-UHFFFAOYSA-N", "SMILES:O=C1NCc2cc(Nc3nc(Oc4cccc5c4C(=O)CC5)c4cc[nH]c4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMWCTJAZQHXKE-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2cccs2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIVAKWMCQQNDFE-UHFFFAOYSA-N", "SMILES:O=C(CCCc1c[nH]c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGSCPWKARMEOF-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(C(=O)c2cccs2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKIPASJKWCVTFK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZSROCMUQSJQPW-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWYOIGHFWHTUSQ-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2ccccc2F)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLVFXCHPBARRKF-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2cccc(F)c2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQDQMVYNAJOIME-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZKJVLLIRISHV-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2ccsc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKPLVQBVORUOW-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)n2cc(CCCC(=O)NCCCn3ccnc3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCRABDXSROXJEG-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2cccnc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEELAMLOQIINGU-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRSSJKRLSFSRFF-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOBZZCBOKCBVSR-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NCCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVFEGASNCFGKB-UHFFFAOYSA-N", "SMILES:CN(CCCn1ccnc1)C(=O)CCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLSCFBDLYHAFL-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1ccnc1)NCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWKYOVWNQCTNZ-NRFANRHFSA-N", "SMILES:N[C@@H](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOCSDFESMHYTJ-UHFFFAOYSA-N", "SMILES:O=C(CCCC1C(=O)Nc2ccccc21)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFBIZSMJCJMHW-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cc2ccccc2n1S(=O)(=O)c1ccccc1)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOORKGCWBUHSES-UHFFFAOYSA-N", "SMILES:O=C(CCCc1nn(S(=O)(=O)c2ccccc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNIGYJHDBZQDY-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHJNWRIHJNLVCU-UHFFFAOYSA-N", "SMILES:Cn1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCYAUPUVGMRMAG-UHFFFAOYSA-N", "SMILES:CCn1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHGBSPXLHKRYMO-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1S(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHPCVDUIJYVHFR-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2cccc3ccccc23)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVZKPVVGTMSRPM-UHFFFAOYSA-N", "SMILES:O=C(Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXNYPCQSTGGOQB-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CREZZSPVZFQBQD-UHFFFAOYSA-N", "SMILES:O=C(CCCn1ccnc1)NCCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLPURPJWHATRH-UHFFFAOYSA-N", "SMILES:NC(=O)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZGRUWYPHQOBK-UHFFFAOYSA-N", "SMILES:NCCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYMUXDNQPGHRR-SFHVURJKSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYMUXDNQPGHRR-GOSISDBHSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWKYOVWNQCTNZ-OAQYLSRUSA-N", "SMILES:N[C@H](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCHKJJTACQLOX-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(-c2ccccc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQAXJQAJVZVMSI-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIVPEFSLBMFED-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(C(=O)c2ccc(F)cc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEXBBDKFQFTODL-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2cc(CCCC(=O)NCCCn3ccnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHBIWFOFPPYJJQ-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2cccc3nsnc23)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXPOGIZEVBHWAB-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12)NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBUMXMWQIZADFE-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1ccnc1)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOOISGWZWSELEX-UHFFFAOYSA-N", "SMILES:O=C(CCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)NCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMRWCWXSRPVHI-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEOVWJYINDYNSM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQUSFAUAYSEREK-WKILWMFISA-N", "SMILES:COc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJGGDQDRCNRLH-UHFFFAOYSA-M", "SMILES:CC(C)CC(NCC(O)CC(=O)[O-])c1nnnn1CCCC(=O)N1CCc2ccccc2C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWGEYDEKGZDRT-UHFFFAOYSA-M", "SMILES:CC(C)(C)CC(NCC(O)CC(=O)[O-])c1nnnn1CCCC(=O)N1CCc2ccccc2C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPOLCSLDPCFJZ-UHFFFAOYSA-M", "SMILES:O=C([O-])CC(O)CNC(c1ccccc1)c1nnnn1CCCC(=O)N1CCc2ccccc2C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWGEYDEKGZDRT-TVEITMRYSA-M", "SMILES:CC(C)(C)C[C@@H](NCC(O)CC(=O)[O-])c1nnnn1CCCC(=O)N1CCc2ccccc2C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPOLCSLDPCFJZ-NWGKKINUSA-M", "SMILES:O=C([O-])CC(O)CN[C@H](c1ccccc1)c1nnnn1CCCC(=O)N1CCc2ccccc2C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPOLCSLDPCFJZ-BNRSUNCTSA-M", "SMILES:O=C([O-])CC(O)CN[C@@H](c1ccccc1)c1nnnn1CCCC(=O)N1CCc2ccccc2C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIWSDJSFSZLHKL-KJIPLLCSSA-M", "SMILES:O=C([O-])CC(O)CN[C@@H](c1cccs1)c1nnnn1CCCC(=O)N1CCc2ccccc2C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIWSDJSFSZLHKL-HDNPKDEKSA-M", "SMILES:O=C([O-])CC(O)CN[C@H](c1cccs1)c1nnnn1CCCC(=O)N1CCc2ccccc2C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDBMMMMECNUNH-NEXUVNJBSA-M", "SMILES:O=C([O-])CC(O)CN[C@@H](c1cccs1)c1nnnn1CCCC(=O)NCc1ccccc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKBGRGZVJOBIGB-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)CN(C(=O)CCCn1nnnc1C(CC(C)(C)C)NCC(O)CC(=O)[O-])CC2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYENTQLOVQHZSM-UHFFFAOYSA-M", "SMILES:CC(C)CC(c1nnnn1CCCC(=O)N1CCc2ccccc2C1)N(Cc1ccccc1)CC(O)CC(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPPEVVHNHBVMS-UHFFFAOYSA-M", "SMILES:CC(C)CC(c1nnnn1CCCC(=O)N1CCc2ccccc2C1)N(Cc1ccc(F)cc1)CC(O)CC(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKUTLNBXAGQOE-UHFFFAOYSA-M", "SMILES:CC(C)(C)CC(c1nnnn1CCCC(=O)N1CCc2ccccc2C1)N(Cc1ccccc1)CC(O)CC(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRQRTFWNGVLOO-UHFFFAOYSA-M", "SMILES:CC(C)(C)CC(c1nnnn1CCCC(=O)N1CCc2ccccc2C1)N(Cc1ccc(F)cc1)CC(O)CC(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKUTLNBXAGQOE-MRCSROGZSA-M", "SMILES:CC(C)(C)C[C@H](c1nnnn1CCCC(=O)N1CCc2ccccc2C1)N(Cc1ccccc1)CC(O)CC(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437105", "category": ["biolink:ChemicalEntity"], "name": "VRT-18858", "xref": ["InChIKey:CUVNEENHHCPUBW-SZMVWBNQSA-N", "SMILES:O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12"], "synonym": ["Vrt-18858", "RU-38384", "RU38384", "VRT18858"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802237", "category": ["biolink:ChemicalEntity"], "name": "VRT 043198", "xref": ["InChIKey:SOZONDBMOYWSRW-QANKJYHBSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CC(=O)O"], "synonym": ["Vrt 043198"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMZZTDGCZKZPG-UHFFFAOYSA-N", "SMILES:CC(CO)(CO)NCc1cc(Cl)c(Oc2ncnc3c(-c4ccc5c(c4)OCCO5)cccc23)cc1OCc1cncc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZJMSWYANTMGC-XVOCEWIJSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUWAIBYOOHQJEL-MRAWFPONSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC(C)C)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCANDZAEAZGGNT-CKMXMFDLSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(I)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDRFBQDVJOILS-BGCLTTEDSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(OC)c4)nc(I)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJBHTDNKZRHMMV-BGCLTTEDSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OC)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXUMVOXGLOSYAM-SASJIJFGSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXVFQNYDVJCUGZ-CIHAWVRQSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSNRNEQWNOXCPH-CIZVZKTGSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4cccs4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICOFRMVEIYFPN-CIZVZKTGSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccsc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOIUDJAEULCBB-CIZVZKTGSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccco4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTFZXOHMUAZHNR-CIHAWVRQSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMIQQJEFFPRAQ-XVOCEWIJSA-N", "SMILES:CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JARNTEKDRUWDJN-XVOCEWIJSA-N", "SMILES:CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFDNKNJVNSDBZ-CIHAWVRQSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Br)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DILMSJYJOSOLCR-DYRGRVSNSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(I)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQOMIVWTXTFCQ-QSNYBYPBSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSPTRHMWVZXTN-LFDFRMOKSA-N", "SMILES:COc1cc(CCNc2nc(OCC(C)C)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPMZHWMGJXXMQ-MRAWFPONSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC4CC4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBUDWDJHOPLKCB-ZFDFLGGNSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCC(C)C)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGAZYZEEDTONE-USNPWTNRSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCCc3ccccc3)nc(I)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHVZGOCXMKSHJQ-YUBGWGQWSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITDYAYIQUNQKD-ILNAYAQNSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccccc4Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCKMERGILGRME-ZVWUKZRXSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGKIGSBMUAARS-MBIQTBDCSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMBGAMTXFPUEJ-CIHAWVRQSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHGVRGQVKDETK-XVOCEWIJSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(OC)c4)nc(C#Cc4ccc(Br)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXZWWKSQYWINGU-VGGQNZTHSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCCC4CCCCC4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZSQMQYONJQWBJ-QSNYBYPBSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(O)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKUQCRIBBKPCU-QSNYBYPBSA-N", "SMILES:CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(O)c4)nc(C#Cc4ccc(Br)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAXRIXBTYHKKBD-JIGPFOKVSA-N", "SMILES:CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIPMEZSONUFCJL-UHFFFAOYSA-M", "SMILES:[Br-].c1ccc(CCOCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPWLCPBICCODE-UHFFFAOYSA-M", "SMILES:[Br-].c1ccc([P+](CCCCCCOCCc2ccc3c(c2)OCO3)(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSERQSKFLSKTGE-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cc(C#CCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c3c(Cl)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAHPBHJWRHEGQZ-SZXQPVLSSA-N", "SMILES:CC1(C)Oc2ccc(/C(Cn3ccnc3)=N/OC(=O)c3ccc4ccccc4c3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVYHKALNDFDMTA-VFCFBJKWSA-N", "SMILES:CC1(C)Oc2ccc(/C(Cn3ccnc3)=N/OC(=O)c3ccc4ccccc4c3Br)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXAOZJCHMPKKY-SGWCAAJKSA-N", "SMILES:CC1(C)Oc2ccc(/C(Cn3ccnc3)=N/OC(=O)c3ccc4cc(Br)ccc4c3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MICYWKOHJADGPN-OZZGSAJNSA-N", "SMILES:CC1(C)Oc2ccc(/C(Cn3ccnc3)=N/OC(=O)/C=C/c3ccc(Cl)cc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTBWPFRJCFIGKT-XAYXJRQQSA-N", "SMILES:CC1(C)Oc2ccc(/C(Cn3ccnc3)=N/OC(=O)Cc3cccc4ccccc34)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3692689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RESDVUQVZOJNSO-CQSZACIVSA-N", "SMILES:C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYVBWPURLLAQJZ-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccccn3)cccc2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGMIMCTLFNTNS-UHFFFAOYSA-N", "SMILES:CCc1ccc(O)c2c1C(COC(C)=O)Cc1c(-c3ccccn3)cccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPDGMULGJOKKO-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccccn3)cccc2-c2c(O)ccc(C(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWNQJURMBECGK-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccccn3)cccc2-c2c(O)ccc(C3CCCCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXKLMISSDGJRLF-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccccn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKPVZKGWNVPKR-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccccn3)cccc2-c2c(O)ccc(-c3ccc(C#N)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFYXHVAXJERPA-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccccn3)cccc2-c2c(O)ccc(Cc3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQLRCPQUYDNRB-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccccn3)ccc(Cl)c2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXUVWBUCJJAKCF-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccccn3)cc(C)cc2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWYTUUHCYNIMFD-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(ccc(C)c2-c2ccccn2)-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBUZREFYHIBZOL-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ncccc3C)cccc2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZJQFWNIXDYHX-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc(C)ccn3)cccc2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBSYNSBVIUEZEP-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc(-c4ccccc4)ccn3)cccc2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXHXYCKSNIBVLF-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(F)cn3)cccc2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSCHPIOCNGXGQ-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(Cl)cn3)cccc2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKNNNHAOMQEAH-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(Br)cn3)cccc2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKUVFVLPECWSJN-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(cccc2-c2nccc3ccccc23)-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGPDFGILCIGLC-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc4ccccc4cn3)cccc2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSRLESBKLWXKC-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc4ccccc4n3)cccc2-c2c(O)ccc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRWVTBJAYUAFO-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc(-c4ccccc4)ccn3)cccc2-c2c(O)ccc(C3CCCCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVORPRGGJIITEP-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc(-c4ccccc4)ccn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECVEYOPFCRZII-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc(C)ccn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJSKAGXVLXHCR-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc(Cl)ccn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPPZBLRXINJDNR-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc(C#N)ccn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGRVOXOSYUYFGX-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc(C=O)ccn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFYAFWXHZBAFK-UHFFFAOYSA-N", "SMILES:CCNc1ccnc(-c2cccc3c2CC(COC(C)=O)c2c(-c4ccc(Br)cc4)ccc(O)c2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFYQCDAMOAONNR-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc(N4CCCC4)ccn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSCATXEZZHUBR-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3cc(N4CCOCC4)ccn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRRPTVIGGXWWAK-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(C)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRCUBGDUZZZYTJ-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(F)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUQHHZLDQFEPBI-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(Cl)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFKWXNGHNKROP-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(Br)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIIXLBNACOIFNU-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(C#N)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLAYBOLXIYGAU-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(C=O)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWDSTSPBNAEEP-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(S(C)(=O)=O)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEQPJEVEOQQEES-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(C(C)=O)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAVJURZPPGLDNV-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(N(C)C)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKGROCOPOYFJKZ-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(-c4ccccc4)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYDGYYQVRQHTD-UHFFFAOYSA-N", "SMILES:CC(=O)OCC1Cc2c(-c3ccc(NCc4ccccc4)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QREMQPVDTOTTLU-UHFFFAOYSA-N", "SMILES:OCC1Cc2c(-c3cc(-c4ccccc4)ccn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRDCAMECXSHES-UHFFFAOYSA-N", "SMILES:O=Cc1ccnc(-c2cccc3c2CC(CO)c2c(-c4ccc(Br)cc4)ccc(O)c2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRWGJVAQMSZHE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cccc3c2CC(CO)c2c(-c4ccc(Br)cc4)ccc(O)c2-3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWUISZRKVFYSNP-UHFFFAOYSA-N", "SMILES:OCC1Cc2c(-c3ccc(F)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZYHNMMELNHKU-UHFFFAOYSA-N", "SMILES:OCC1Cc2c(-c3ccc(Cl)cn3)cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUPSGOFCMVWCKS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cccc3c2CC(CO)c2c(-c4ccc(Br)cc4)ccc(O)c2-3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSRJOIIPUNWUFN-UHFFFAOYSA-N", "SMILES:CCNc1ccc(-c2cccc3c2CC(CO)c2c(-c4ccc(Br)cc4)ccc(O)c2-3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJKNMUHPYXMPH-SFHVURJKSA-N", "SMILES:C[C@@]1(c2cc(-c3ccc(Cl)cn3)ccc2F)CCC2(CC2)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPMCVCKXYZPIV-FNFWKMNBSA-N", "SMILES:C[C@@]1(c2cc(-c3ccc(Cl)cn3)ccc2F)C[C@@H]2C[C@@H]2C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYPTULRVNAIRKK-RXUIWSPKSA-N", "SMILES:CC1CC[C@@](CF)(c2cc(-c3cc4c(cn3)OC(F)(F)O4)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRTDQHRBEPSWIG-OALUTQOASA-N", "SMILES:COc1cnc(-c2ccc(F)c([C@]3(C)CC[C@@](C)(C#N)C(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSSAERXLSTURK-RBUKOAKNSA-N", "SMILES:COc1cnc(-c2ccc(F)c([C@]3(CF)CC[C@@](C)(C#N)C(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSSAERXLSTURK-RTBURBONSA-N", "SMILES:COc1cnc(-c2ccc(F)c([C@]3(CF)CC[C@](C)(C#N)C(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHEPVCCSFBQOHU-OALUTQOASA-N", "SMILES:COc1cnc(-c2ccc(F)c([C@]3(C(F)F)CC[C@@](C)(C#N)C(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEDEEMQWBFCGI-NHCUHLMSSA-N", "SMILES:CN(C)C(=O)[C@]1(C)CC[C@@](CF)(c2cc(-c3ccc(F)cn3)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWWOHBLDOWLPGV-WOJBJXKFSA-N", "SMILES:CN(C)S(=O)(=O)[C@]1(C)CC[C@@](CF)(c2cc(-c3ccc(F)cn3)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKJOCGWQQJYDSM-RBUKOAKNSA-N", "SMILES:COc1cnc(-c2ccc(F)c([C@]3(C)CC[C@@](C)(S(C)(=O)=O)C(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYDSMNLCZHWED-QZTJIDSGSA-N", "SMILES:C[C@@]1(S(C)(=O)=O)CC[C@@](CF)(c2nc(-c3cnc(OCF)cn3)ccc2F)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BURDKPAOMXRSRM-ZWKOTPCHSA-N", "SMILES:C[C@@]1(c2cc(-c3cc4c(cn3)OC(F)(F)O4)ccc2F)CC[C@@](C)(S(=O)(=O)C(F)(F)F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKSXKNZPILRPT-PMACEKPBSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CC[C@@](CF)(S(C)(=O)=O)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBDXTUOLTFFSGJ-CWFSZBLJSA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@](C)(S(C)(=O)=O)C[C@@H]3F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZVIVSINWJIMMG-JKSUJKDBSA-N", "SMILES:C[C@@]1(c2nc(-c3ccc(F)cn3)cs2)CC[C@@](C)(S(C)(=O)=O)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWQHBVSXSFUITK-INIZCTEOSA-N", "SMILES:C[C@@]1(c2cc(-c3cnc(OCF)cn3)ccc2F)CCC(F)(F)C(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVKBSWTWYVPIX-MRXNPFEDSA-N", "SMILES:NC1=N[C@](CF)(c2cc(-c3cnc(OCF)cn3)ccc2F)CCC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWZWOMPLEBTAGQ-VMPITWQZSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(NC3CCN(C(=O)/C=C/CN(C)C)CC3)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSXMGOKPQHHNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCXFBAVJAPHCTG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNCCSXUMNALGKS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZATZMKDSRSJODQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPGPPDAKFCUXOF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJZRVTHUECQQTM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3cc4ccccc4cc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOLATEJXXTXCRC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)OCc2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNRTYJUAIYHTF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXQLPBHQZPVYQX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(-c3ccc(F)cc3)c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVBLELKWSSFMN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(-c3cccnc3)c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJURBXZLFARTFO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(-c3ccc(F)nc3)c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBLYISXCENKRLF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cccc(C(=O)Nc3ccc(C)c(C(=O)Nc4cnc(Nc5cccc(N)c5)nc4)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTYLSIHFRAWQO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(-c3ccco3)c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRXCLHVAIIGTOJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3cc(Br)ccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOKYFSPHYRIEJZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3cc(O)ccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVYGRCYEKDRGH-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3ccc(C)c(C(=O)Nc4cnc(Nc5cccc(N)c5)nc4)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVHUGWYTNUUGPJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHEHIBFXKDMDHV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc3ncccc23)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKYXXNDMNIKFT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5cnccc5c4)ccc3C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBTQYTBFFKJOSI-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5cnccc5c4)ccc3C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLONRANGHBAJIS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Nc2cccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5ccc6cnccc6c5)ccc4C)cn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBJZNNMOLQLJD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(NC3CCN(C(=O)CF)CC3)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKZDYGBWDHRMX-MDZDMXLPSA-N", "SMILES:COc1ccc(/C=C/c2cc(OC)cc(OCCCCCCCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDWLYXUHHCRID-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(COc2cccc(-c3nc4ccccc4s3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTTGPBZQHVWCOV-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(COc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASIQJGISCBDLW-ONEGZZNKSA-N", "SMILES:COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OCC(=O)O)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVYCAHOYFZZTL-ONEGZZNKSA-N", "SMILES:COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OCC(=O)O)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXZFCBTVFNOJR-AATRIKPKSA-N", "SMILES:CCOc1ccc(/C=C/c2cc(OCC)cc(OCc3ccc(OCC(=O)O)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXMWUMBQVZCLHK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(OCc3ccc(OCC(=O)O)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUNWHCZQVGYSJO-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(-c3cccc(OCCCCCCCC(=O)O)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPUMWGCDRJLYGW-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3cccc(OCc4ccc(OCC(=O)O)c(F)c4)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKMNGIDEPKJFPC-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc(-c3cccc(OCc4ccc(OCC(=O)O)c(F)c4)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMVENYAPKTICH-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(COc2cccc(-c3ccc4cc(OCC5CC5)ccc4c3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STZHOOOMYCDMPJ-SNAWJCMRSA-N", "SMILES:COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OCC(=O)O)c(C)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYSVQRIFFGPEM-SNAWJCMRSA-N", "SMILES:COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OC(C)C(=O)O)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYQMBJUDQHKOFS-AATRIKPKSA-N", "SMILES:COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OC(C)(C)C(=O)O)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRZCHGAVZFFJZ-LZCJLJQNSA-N", "SMILES:O=C(O)COc1ccc(COc2cc(/C=C/c3ccc(OCC4CC4)cc3)cc(OCC3CC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSBNXBNLHNAOEG-XMHGGMMESA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccccn3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDBKADMHALBYIF-DEDYPNTBSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3cccnc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXKOKMVKICMSU-XSFVSMFZSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccncc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMVCSCMUQUCKBT-RCCKNPSSSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYIWOEJXQVTDQP-PXLXIMEGSA-N", "SMILES:Cc1ccccc1/C=C1\\CCCN(Cc2ccc(C(=O)Nc3ccc(F)cc3N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBLTUXDDXJNHZ-PXLXIMEGSA-N", "SMILES:Cc1cccc(/C=C2\\CCCN(Cc3ccc(C(=O)Nc4ccc(F)cc4N)cc3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPGCKLMPBSXLNA-PXLXIMEGSA-N", "SMILES:Cc1ccc(/C=C2\\CCCN(Cc3ccc(C(=O)Nc4ccc(F)cc4N)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQGSHPBZVVYXRQ-RCCKNPSSSA-N", "SMILES:COc1ccc(/C=C2\\CCCN(Cc3ccc(C(=O)Nc4ccc(F)cc4N)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVBICUYRPZVOR-XSFVSMFZSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccccc3Cl)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GISSJMDURPYDIZ-DEDYPNTBSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3cccc(Cl)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRWGBIUSBNQKJ-XSFVSMFZSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccc(Cl)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARXRHXYOFUPAEA-XSFVSMFZSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccc(Br)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFADPVYQYHIKEA-XSFVSMFZSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccc(F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZBFMPOSLSNNH-QGOAFFKASA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccco3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIUIDJSYYHFQTI-KOEQRZSOSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccc4ccccc4c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIRHBZPDOKODLK-LTGZKZEYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccc(Cl)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXNHVQYSZKJAU-LTGZKZEYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccccc3Cl)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAQDSSIDTDOWPD-RCCKNPSSSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3cccc(Cl)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJJWJYGVPBLXEI-XSFVSMFZSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQRSPQNTMCIAK-XSFVSMFZSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccc(Cl)c(F)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJHTGQDBHOUKD-OQKWZONESA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBUJRTVDQYEPKP-CAPFRKAQSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccccn3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHGIWQRVMFMSR-RCCKNPSSSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3cccnc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWKDUMXJKGCKY-LTGZKZEYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccncc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRAPNRYHLHGHAP-XDJHFCHBSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccco3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTHCNWGNNQPNQS-LGUFXXKBSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\\c3ccc4ccccc4c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORJSWDCBLFIPA-XSFVSMFZSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CC/C(=C\\c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCCXRDGUHAHQJ-QGOAFFKASA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CN2CC/C(=C\\c3ccccn3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVDAAFDDFFKASQ-XDJHFCHBSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CN2CC/C(=C\\c3ccccn3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGLENKBAGNYGZ-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2sc(C3CCN3)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFTCMSQTEOCRBN-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2sc(C3CCCN3)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMXXTMFNQQZVTB-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2sc(C3CCCCN3)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVBCSSRPQUKKW-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2sc(C3CNCCN3)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCPRDRGAAQQDB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(-c2cc(Cl)cc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c(-c2ccnc(N)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNNKHBCZMWGHG-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2sc(C3COCCN3)nc2-c2cc(Cl)cc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNWRWISEOKRCC-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2sc(C3CCN(C4CC4)CC3)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLSHYSDUYUUQRQ-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2sc(C3CCCNC3)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQCVSCOLOVRLEJ-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2sc(C3COCCN3)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEZWQTPIFLCMQJ-UHFFFAOYSA-N", "SMILES:NCCCc1nc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c(-c2ccnc(N)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTXWTYCPNBXZFU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nccc(-c2sc(CCCN)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANXHJHRCVVESE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nccc(-c2sc(C3CCN(C4CC4)CC3)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMADVIUNDUQTN-UHFFFAOYSA-N", "SMILES:CCC(C)S(=O)(=O)Nc1cccc(-c2nc(C3CCNCC3)sc2-c2ccnc(N)n2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCAHZIIOLWWMSS-UHFFFAOYSA-N", "SMILES:CCN(C)S(=O)(=O)Nc1cccc(-c2nc(C(C)(C)C)sc2-c2ccnc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1997924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVUWQDLBEOZVOU-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3sccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785363", "category": ["biolink:ChemicalEntity"], "name": "INOBRODIB", "xref": ["InChIKey:SKDNDJWEBPQKCS-CLHVYKLBSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"], "synonym": ["Inobrodib", "Ccs 1477", "Ccs1477", "Inobrodib", "CCS-1477", "CCS1477", "Inobrodib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4171749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCPJEOKKJODBRQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C(=O)Nc1cc(C(=O)O)cc(-c3cnn(C)c3)c1F)cn2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQCYEERDINJMKD-UHFFFAOYSA-N", "SMILES:COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(C(=O)O)cc(-c4cnn(C)c4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRFDOXZJQREJOD-UHFFFAOYSA-N", "SMILES:COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(F)cc(-c4cnn(C)c4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCRXRKPZWPTGN-UHFFFAOYSA-N", "SMILES:COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(Cl)cc(-c4cnn(C)c4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOZZDBKGOKGEAB-UHFFFAOYSA-N", "SMILES:COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(C=O)cc(-c4cnn(C)c4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFOSEOLXWOXFQF-UHFFFAOYSA-N", "SMILES:COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(CO)cc(-c4cnn(C)c4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSSRXAUNKQKKE-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPVIZVDRHDFYSG-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(C)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFGPNFSDIZKATC-UHFFFAOYSA-N", "SMILES:CCc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(CO)cc(-c4cnn(C)c4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTZLPGDOZJIRL-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(N)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNVGZNTWMDXJQD-UHFFFAOYSA-N", "SMILES:CNc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(CO)cc(-c4cnn(C)c4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFVVMPCITILTOG-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(CN)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNAJEZGNJGDKTA-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OC(=O)C(C)(C)C)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNFUESBCRZTRFK-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZLXONVRPZAOA-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C4CC4)c3)c2F)c2cc(N)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFAFUDHDLESQO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C4CC4)c3)c2F)c2cc(O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMURGYUDULFAPH-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C4CC4)c3)c2F)c2cc(OC(=O)N(C)C)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDKRMQHCPCDYHE-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(C(C)O)cc(-c3cnn(C4CC4)c3)c2F)c2cc(N)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMXMVXGGBDUDQ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(C(C)O)cc(-c3cnn(C4CC4)c3)c2F)c2cc(O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWDFQURJNVFZTL-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(C(C)O)cc(-c3cnn(C4CC4)c3)c2F)c2cc(OC(=O)N(C)C)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKCORLIQMAQULG-UHFFFAOYSA-N", "SMILES:COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(C(C)O)cc(-c4cnn(C5CC5)c4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQJAFWODWNJNT-UHFFFAOYSA-N", "SMILES:COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(C(F)(F)F)cc(-c4cnn(C)c4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZLXUIZQINKLW-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NC(=O)c2cc(C(C)=O)n3ccc(OC)cc23)c(F)c(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKZIVGZZZRYHE-UHFFFAOYSA-N", "SMILES:COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(C(N)=O)cc(-c4cnn(C)c4)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXHXVHMTAGHRQ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCc3ccccc3)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBTJSQMTRVRKCB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CABQJTQJOLLISG-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMSNYCJLVOGHF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(CO)cc(NC(=O)c3cc(C(=O)C(C)(C)C)n4ccc(O)cc34)c2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASGSOJLMSIHBLV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(CO)cc(NC(=O)c3cc(C(=O)C4CC4)n4ccc(O)cc34)c2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTPALPJOPINIFI-VWLOTQADSA-N", "SMILES:Cc1cc(Cl)ccc1-c1ccc(C(=O)N[C@H]2CCc3c(C)ccc(N4CCN(C)CC4)c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBFDJVXVNXOHG-QHCPKHFHSA-N", "SMILES:Cc1ccc(N2CCN(C)CC2)c2c1CC[C@H](NC(=O)c1ccc(-c3ccccc3)cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOVWMSOCORMAAK-DEOSSOPVSA-N", "SMILES:Cc1cc(Cl)ccc1-c1cncc(C(=O)N[C@H]2CCc3c(C)ccc(N4CCN(C)CC4)c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXKVRISRVFDQKW-NRFANRHFSA-N", "SMILES:Cc1cc(Cl)ccc1-c1ccc(C(=O)N[C@H]2CCc3c(C)ccc(N4CCN(C)CC4)c3C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVVJFOSJXGFBN-QFIPXVFZSA-N", "SMILES:Cc1ccc(N2CCN(C)CC2)c2c1CC[C@H](NC(=O)N1CCN(c3ccc(F)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMRETDBROLHGL-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(Cc2ccn3ncnc(Nc4cc(O)cc(Br)c4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJVZSVEIGCFJP-GOSISDBHSA-N", "SMILES:CC[C@@](C)(O)C#Cc1cc2c(ccn2-c2cc(OC)nc(N)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHDDNFHODNKNQV-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(Nc2ncnc3[nH]ccc23)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPQLLPZRSBLUDF-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2ncnc3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPQFTGVOPCGONK-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2ncnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGQSIQORKRCOJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMKPWJBLIPNVLE-UHFFFAOYSA-N", "SMILES:c1nc(Nc2ccc(N3CCOCC3)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUOHWQWRILRCE-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPKLSFWUMADFA-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCNc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXJWYVCXZGEIO-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCNc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCLXVHJHHBULCV-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2ncnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICGJQCQIXJNTE-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Nc1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGOCWHGJUHMMD-UHFFFAOYSA-N", "SMILES:c1cc(Nc2ncnc3[nH]ccc23)c2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPOUKBQXPAWWKE-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYJAZXQJDXXAP-UHFFFAOYSA-N", "SMILES:c1cc(Nc2ncnc3[nH]ccc23)cc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKACRNXVWJWBX-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJHHJFCJDPLIQB-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIHDZQXFAZNODD-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJPXMUVUSHTLL-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXWFJIPORGVTM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBWRRCYSQGONG-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWRSKMSFZCQDMQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSWGVOQPUBSRF-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEAJCIZAHBQJU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDYNACMDWPBSRV-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUJBGVKSHTSSL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVKLCVZDPFHEZ-UHFFFAOYSA-N", "SMILES:Brc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKPENJDYZTBCO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKIINXZAKTAGE-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKVBNLXSZQPJF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDWYTBSFRSWAD-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLELDAYNXWKZOK-UHFFFAOYSA-N", "SMILES:Clc1cccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZQAPZKCGJAQA-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEWTQJQTFHQIK-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZNMMAEOYALKY-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDXFOBVPURMZAV-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGXTZHDPGSZDDZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZIBNHPQKQIBG-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHCUPCBYUFBEPI-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNSEKRFFILAEC-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3cccc(Cl)c3)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZYSZBTZWUNKT-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACNUJPGGPOBHSD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Sc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCUMFHFQTMVQLW-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSVSRJBZRJBGOQ-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGPMDVLGJQXOK-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSHWDZDOUYFLET-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)c1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOEJFMVJOIMDQV-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(COc3ccc(Nc4ncnc5[nH]ccc45)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCFWUCDYIZRIS-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Cn1cc(COc2ccc(Nc3ncnc4[nH]ccc34)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZGXOEFJHGGLCP-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cn2cc(COc3ccc(Nc4ncnc5[nH]ccc45)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOGHWSUXKEXRT-UHFFFAOYSA-N", "SMILES:c1ccc(CCn2cc(COc3ccc(Nc4ncnc5[nH]ccc45)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEDYXUZRXHYGLM-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(COc3ccc(Nc4ncnc5[nH]ccc45)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGAMDGKDCQFNH-UHFFFAOYSA-N", "SMILES:c1cncc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)c1"]}
{"name": "Tau tubulin kinase 1", "synonym": ["non-specific serine/threonine protein kinase"], "xref": ["CHEMBL.TARGET:CHEMBL5169214"], "id": "UniProtKB:D3ZAU7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBOQLCCSQWADU-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEMLAZBOLUGFV-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(O)c(O)c1)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJSJKVMKZYLGQP-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(O)c(O)c1)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXWMNSFSMGOMK-FNORWQNLSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSEQYLSUFMRSBT-SOFGYWHQSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccc4cnccc34)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILCUXGDQBPOPPZ-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNZSQDRWLNDLPZ-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXRXHVSBIRUIFS-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2ccc(-c3cnc4[nH]ccc4c3)cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFWIXZOWNBPBO-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2ccc(-c3cnc4[nH]ccc4c3)cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLOISNMRLZTPF-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCEPFMIKOGOVFB-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZNHHZOCBHSXLD-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJXUVWCTBPSKH-UHFFFAOYSA-N", "SMILES:O=Cc1cccc(CN2CCOc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHMQWVWCAAWDHF-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAWFXQCXSUCZCT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCOc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKOAPZXIQKHBLG-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGPMAUPJQUIYHR-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCOc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGWNRZWFWSPCS-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4cnc(N)c(C#N)c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLHGKJANPEAJT-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4c[nH]c5ncccc45)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZTUUIYEETUXSM-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGKPCSKYHERKV-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCOc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCOWMGIRZNMAS-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCOc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKEYFTJVUGHNAB-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3ccc(-c4cnc5[nH]ccc5c4)cc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGVJYDWVKUQTH-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMIMNCBKHDLORO-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CC(C)(C)Oc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMBAKXVQUAJPQM-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(CN2CCOc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJCMNRWXAZMCQC-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCCc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXZZOVVRMZHAF-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCOc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFNKQITDPHWKS-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKAPVKSDBKDBIR-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2Cc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKIWHCPAQTKAP-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDMJVWGSQCIOB-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4ccc(N)nc4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOAAZGZSJGQIOL-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1cc(C(F)(F)F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOEKHQVCKJALKH-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXWVZHIJYXFFQO-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4cnc(N)c(/C(N)=N/O)c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMGBYDQWLORWEL-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCOc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSXBAXHREOSAEN-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1ccc(CN2CCOc3cc(-c4cnc5[nH]ccc5c4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVVCEWAMWWAQO-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4[nH]ccc4c3)cc2OCCN1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYJOEFLXEJAUQR-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4cccnc4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNXRGAHUVSMYNB-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4cnc5[nH]ncc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLVGTSZDWYUGJU-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4cnc5ccnn5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQHKEKXIQCRRH-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCOc3cc(-c4ccn5nc(N)nc5c4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBQNFRHHLPLEM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ccc3[nH]c(=O)n(-c4ccncc4)c3c2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPRDGGZFQZUBY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUAPPQVLLLHKH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOBSHNWEIVNQO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIRFBBTOYEUSA-UHFFFAOYSA-N", "SMILES:N#Cc1cccc([N+](=O)[O-])c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHEUVDKDHIRXRP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3[nH]nc(-c4ccncc4)c3c2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFDSRLQUAJBGW-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYZVVCACZVMRL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFBFGKCNDVUJU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJXSBZAABPCMF-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONJKRTJRHHBFLC-UHFFFAOYSA-N", "SMILES:CN(c1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccc(C#N)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUPJCWNSCWJMH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3[nH]nc(-c4ccncc4)c3c2)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHOIKJZIFODTH-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKCOAYOWHQGDN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRCQLLLAOVLQY-UHFFFAOYSA-N", "SMILES:COc1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKGQIGGDMBIJK-UHFFFAOYSA-N", "SMILES:COc1ccc(C#N)c(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNFNWQINVNKQO-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJMMKVJUKYWCO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBPTBDGIJASMQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYWVIKESINVSC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#N)c(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUYGWVQWBPTID-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(F)cc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIAFALATELDBMK-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(F)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWRKJFGPBEJKX-UHFFFAOYSA-N", "SMILES:N#Cc1c(F)cccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSWQRFLPHJKKP-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)ccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPYOBNMSTMNJEI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c3ccc(Nc4ccccc4C#N)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRFXHAGPOFBYHE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c3ccc(Nc4ccc(C#N)cc4C#N)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YILNWNTWLAQENW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c3ccc(Nc4ccccc4C#N)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTRFDOFMNXDTHX-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CNc2ccc3[nH]nc(-c4ccncc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUJLINLOXUEFK-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1CNc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZYKCCAZNWJOIQ-AWEZNQCLSA-N", "SMILES:C[C@H](Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNIDKZITNHENF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCZJCJOIUJKBF-OAQYLSRUSA-N", "SMILES:N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHEOROSMGIWJSB-XMMPIXPASA-N", "SMILES:N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBGUHBSUBUYSQ-OAQYLSRUSA-N", "SMILES:COc1cc(-c2n[nH]c3ccc(N[C@@H]4CCCc5cc(C#N)ccc54)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTBZYYASIWGXBA-HXUWFJFHSA-N", "SMILES:Cn1cc(-c2n[nH]c3ccc(N[C@@H]4CCCc5cc(C#N)ccc54)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNPYGJVEWBPON-JOCHJYFZSA-N", "SMILES:Cc1cc(-c2n[nH]c3ccc(N[C@@H]4CCCc5cc(C#N)ccc54)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSMRMOJSDQSDN-HSZRJFAPSA-N", "SMILES:Cc1cc(-c2n[nH]c3ccc(N[C@@H]4CCCc5cc(C#N)ccc54)cc23)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGKLZGDJGQVGI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(Nc3ccc4[nH]nc(-c5ccncc5)c4c3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCZJCJOIUJKBF-NRFANRHFSA-N", "SMILES:N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNPYGJVEWBPON-QFIPXVFZSA-N", "SMILES:Cc1cc(-c2n[nH]c3ccc(N[C@H]4CCCc5cc(C#N)ccc54)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSMRMOJSDQSDN-QHCPKHFHSA-N", "SMILES:Cc1cc(-c2n[nH]c3ccc(N[C@H]4CCCc5cc(C#N)ccc54)cc23)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHEOROSMGIWJSB-DEOSSOPVSA-N", "SMILES:N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXCQCAVLRAQIE-LJQANCHMSA-N", "SMILES:N#Cc1ccc2c(c1)OCC[C@H]2Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCXAERUVDFGQF-HXUWFJFHSA-N", "SMILES:Cc1cc(-c2n[nH]c3ccc(N[C@@H]4CCOc5cc(C#N)ccc54)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQWHDRZTQUHTK-OAQYLSRUSA-N", "SMILES:Cc1cc(-c2n[nH]c3ccc(N[C@@H]4CCOc5cc(C#N)ccc54)cc23)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHNIGFKEVUZXAI-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)OCCC2Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXCQCAVLRAQIE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)OCCC2Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSRXOADFBGFEDH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)CCC2Nc1ccc2[nH]nc(-c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTMQGKWANOLONK-HXUWFJFHSA-N", "SMILES:N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc2c(-c3ccncc3)n[nH]c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKHVSDQNMUSJBV-HXUWFJFHSA-N", "SMILES:N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc2c(-c3ccncc3)n[nH]c2cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWTQXEAIRBISCL-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc(C(=O)O)cn2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUNRPRGEFEHAB-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2ncc(C(=O)O)cn2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVAAHPVKYDPXKJ-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1ccc(-c2ncc(C(=O)O)cn2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTOBJEZKUDLRAI-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNASDEOZKMHGGC-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATIVVUSDXINRMQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDLCRWMTXDSMU-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJUMMRFMYFXDL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFISHUYVAKAFJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc(-c3ncc(C(=O)O)cn3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGUIZJCTXCEOO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(COc2ccc(-c3ncc(C(=O)O)cn3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKKCWYRSPAQHRB-UHFFFAOYSA-N", "SMILES:COCOc1ccc(-c2ncc(C(=O)O)cn2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEUJEWJEKHOVJK-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPJXUGHNGCBCR-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOTYACWGEBXYPQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSGIGZDSYXISOW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2nccc(C(=O)O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZLZEASJARYVND-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2nccc(C(=O)O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZNVNZEGWNOKM-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1ccc(-c2nccc(C(=O)O)n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFTUTUEMUXAHE-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(C(=O)O)n2)ccc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQNIFGCWPZXASY-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(C(=O)O)n2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYSHGJLVODKDOI-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(C(=O)O)n2)ccc1OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVGBYCIZJGVNF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(C(=O)O)n2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHIUPGQIQGDDF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2nccc(C(=O)O)n2)ccc1OCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTXGCPSPQLRYGL-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc(-c3nccc(C(=O)O)n3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQUQCWGXBGLDW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(COc2ccc(-c3nccc(C(=O)O)n3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJXVRNULAGYQQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc3c(=O)[nH][nH]c3n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCGNBOGQZBWIQF-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2ncc3c(=O)[nH][nH]c3n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULVRWGNRWFLOG-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1ccc(-c2ncc3c(=O)[nH][nH]c3n2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDYQVIELSOMJA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc3c(=O)[nH][nH]c3n2)ccc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCYCFNTBPIVQM-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc3c(=O)[nH][nH]c3n2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UABMZLIEFNCTHU-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc3c(=O)[nH][nH]c3n2)ccc1OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDEJZMWVYVFERO-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc3c(=O)[nH][nH]c3n2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRIKQOGVJRGHGL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ncc3c(=O)[nH][nH]c3n2)ccc1OCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUBQJNNFJHIQGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc(-c3ncc4c(=O)[nH][nH]c4n3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PITMCNIFQKISMI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(COc2ccc(-c3ncc4c(=O)[nH][nH]c4n3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUMZEKQBKQJKY-BLLLJJGKSA-N", "SMILES:CC(=O)N1c2ccccc2[C@H](Nc2ccc(C#N)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAMFAXCJAKLGBD-XHDPSFHLSA-N", "SMILES:CC(=O)N1c2ccccc2[C@H](Nc2cnc(C#N)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCAKSZRDYBGFIC-SWLSCSKDSA-N", "SMILES:CC(=O)N1c2ccccc2[C@H](Nc2cnc(C)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISCULVOOQTYXQY-MEDUHNTESA-N", "SMILES:CC(=O)N1c2ccc(F)cc2[C@H](Nc2ccc(C#N)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRFFGLXEJJPVPQ-ZUZCIYMTSA-N", "SMILES:CC(=O)N1c2ccc(F)cc2[C@H](Nc2cnc(C#N)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HETKEKNVKWLHLJ-XHDPSFHLSA-N", "SMILES:CC(=O)N1c2ccc(F)cc2[C@H](Nc2cnc(C)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWAREJQWKNGTQ-YVEFUNNKSA-N", "SMILES:CC(=O)N1c2ccc(C#N)cc2[C@H](Nc2ccc(C#N)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQQIUNLTUJQKB-MEDUHNTESA-N", "SMILES:CC(=O)N1c2ccc(C#N)cc2[C@H](Nc2cnc(C#N)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKPZCBUPTIUHKZ-APPDUMDISA-N", "SMILES:CC(=O)N1c2ccc(C(N)=O)cc2[C@H](Nc2cccc(Cl)c2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARPOIMNRYOLMEZ-ZUZCIYMTSA-N", "SMILES:CC(=O)N1c2ccc(C(N)=O)cc2[C@H](Nc2ccc(Cl)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNJBTSIDNJHHQH-BLLLJJGKSA-N", "SMILES:CC(=O)N1c2ccc(C(N)=O)cc2[C@H](Nc2ccc(C)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQAONYRSEKZYSC-YVEFUNNKSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@H](Nc1ccc(Cl)cn1)C[C@H](C)N2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQIILLCMQDMGGP-SCLBCKFNSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@H](Nc1ccc(C#N)cn1)C[C@H](C)N2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAPFGOHCMUOKM-KBXCAEBGSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@H](Nc1ccc(C)cn1)C[C@H](C)N2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWXTMICZUNAFW-YVEFUNNKSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@H](Nc1ccc(F)cn1)C[C@H](C)N2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCRVSYZFLWTCPM-YVEFUNNKSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@H](Nc1cnc(C#N)cn1)C[C@H](C)N2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUPJXFZVMIIGSN-MEDUHNTESA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@H](Nc1ncc(Cl)cn1)C[C@H](C)N2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBYFXZNSOENGW-LKFCYVNXSA-N", "SMILES:CC(=O)N1c2ccc(C(N)=O)cc2[C@H](Nc2ncc(Cl)cn2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STFZCQCCFVPNQE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCDBGBTYJSIEQO-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTKAKKZKSHDLJF-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIXAPQSGHLMLCC-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCC(CCNC(=O)c3ccc4c(c3)[nH]c3c(NC(=O)C5CC5)nccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLAWNFGPZNOOW-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUMRRAKDBINKBA-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2cccc(F)c2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJHPQSJOKTSPI-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVTDQJDUEXMZIB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCC(NC(=O)c3ccc4c(c3)[nH]c3c(NC(=O)C5CC5)nccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRDAKFGCDGSOC-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHVABVRILQXEP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc(F)c2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMAJFWTWVSYOSY-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMLGVRMIEOPIKS-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYQMZBYEDHPIB-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGOGFCJCLFWXST-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONTXBBDJPXKKSL-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIIAROAGWDWACP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HANRHTWEKYINMG-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTJUQBZJRDWMR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCC(CNC(=O)c3ccc4c(c3)[nH]c3c(NC(=O)C5CC5)nccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XURPJONKVFTNBY-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2cccc(F)c2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVTVHLKNQDYED-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFIEOPINFOSKQ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFMJLIEBCLUCP-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBIZNJOYZSQTP-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYTZJCFQCQNLJ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFZHZGCHBASLLU-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSKZIEAWHDKUDG-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZEYJFPVSODSOC-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRPRXONJFCMJPC-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZRFQPCPFFBOTO-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJQBUQKSKXOTF-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCDHLZQZFDFFHL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRNVMWUTDSCIE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUTWKWPFHHTMA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1ncc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJOMZYNYHOFGM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1cnc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNZGLGVAMVOINS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1cnc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIKADXJBBMAHM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSGKCBJKVYQMFL-UHFFFAOYSA-N", "SMILES:CC1Cc2ccc(C(=O)O)cc2Oc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAYKPBKUNIHCDW-UHFFFAOYSA-N", "SMILES:CC1=Cc2ccc(C(=O)O)cc2Oc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBESGANVRPQFJB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1C(F)=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKDXARDYSRNCKT-UHFFFAOYSA-N", "SMILES:CC1=Cc2nc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc2Oc2cc(C(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHIBAOXFSHQOQW-UHFFFAOYSA-N", "SMILES:CC1Cc2nc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc2Oc2cc(C(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLCKGOOCCIMGCT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1C=C2F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZJOXLSYULKNLW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1C1(CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLOOGHLKSNNEK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3C4CCC3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACQLAZWSLWBDRC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNXUKKVJHAQDQR-UHFFFAOYSA-M", "SMILES:COc1cc(C(=O)[O-])ccc1CSc1ccncc1N(C)c1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFQCYGPPRZHSKX-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Nc2cnccc2SCc2ccccc2C(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGSYZCDYFTIKT-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2SCCCC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJHWWWQAIRKKV-UHFFFAOYSA-M", "SMILES:CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBSZCBPKZXWLN-UHFFFAOYSA-M", "SMILES:CN(c1cnccc1SCCCCCCC(=O)[O-])c1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RENVDGGNVJAGJP-UHFFFAOYSA-M", "SMILES:CN(c1cnccc1SCCCCCC(=O)[O-])c1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGHJLVGRGPRGIO-UHFFFAOYSA-M", "SMILES:CN(c1cnccc1SCCCCC(=O)[O-])c1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRUEXZDXZNFKG-UHFFFAOYSA-M", "SMILES:CN(c1cnccc1SCCCC(=O)[O-])c1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWALINRAGGOCBA-UHFFFAOYSA-M", "SMILES:CN(c1cnccc1SC(C)(C)C(=O)[O-])c1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUWTGGOSBFUOV-UHFFFAOYSA-M", "SMILES:CN(c1cnccc1SCc1cccc(C(=O)[O-])c1)c1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYGCJXYFVYSWNH-UHFFFAOYSA-M", "SMILES:CN(c1cnccc1SCc1ccccc1C(=O)[O-])c1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZSDFFVQINARFR-UHFFFAOYSA-M", "SMILES:CN(c1cnccc1SCc1ccc(C(=O)[O-])cc1)c1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTEHNMJHLKYSNH-UHFFFAOYSA-M", "SMILES:CN(c1cnccc1SCc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKOTVFAEUHAHQH-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Nc2cnccc2SCCCCCCC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLVPBJCZZIDJND-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Nc2cnccc2SCCCCCC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWLJXNDHBUZMGC-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Nc2cnccc2SCCCCC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCWCHNXIXUOXCT-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Nc2cnccc2SCCCC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZFNHEHWPQQUBF-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Nc2cnccc2SCc2cccc(C(=O)[O-])c2)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUQSXVQEHKRJEC-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Nc2cnccc2SCc2ccc(C(=O)[O-])cc2)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPQITVITDOSPA-UHFFFAOYSA-M", "SMILES:COc1cc(C(=O)[O-])ccc1CSc1ccncc1Nc1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAWOYOIUNDPMCR-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Nc2cnccc2SCc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIZIUJQJYVWIS-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Nc2cnccc2Sc2cccc([N+](=O)[O-])c2CC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTDDDGAXQSOFQ-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Nc2cnccc2Sc2ccc(Br)cc2CC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBZXFAFPNXJUQD-UHFFFAOYSA-M", "SMILES:COc1ccc(Sc2ccncc2Nc2ccc(C#N)c3ccccc23)c(CC(=O)[O-])c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZJIWGNQDYMACZ-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2SCC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXQDVSNLXCMPEM-UHFFFAOYSA-M", "SMILES:CC(C)(Sc1ccncc1Oc1ccc(C#N)c2ccccc12)C(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBSRUSLVXRVWBY-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2SCCCCC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQESUDQYWVSEJC-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2SCCCCCC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELOYNXMAZERAA-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2SCCCCCCC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTPTZDYJOZHCN-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2SCc2cccc(C(=O)[O-])c2)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSSFTAWSNPAAF-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2SCc2ccccc2C(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQODUPLVOXHLSI-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2SCc2ccc(C(=O)[O-])cc2)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUDBBCVNBEAHO-UHFFFAOYSA-M", "SMILES:COc1cc(C(=O)[O-])ccc1CSc1ccncc1Oc1ccc(C#N)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDWUDMJWVXBVSA-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2SCc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHQCNHXAEYOUAV-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2Sc2cccc([N+](=O)[O-])c2CC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLVJGBMSHXKSK-UHFFFAOYSA-M", "SMILES:N#Cc1ccc(Oc2cnccc2Sc2ccc(Br)cc2CC(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLDEGGLLMWOCT-UHFFFAOYSA-M", "SMILES:COc1ccc(Sc2ccncc2Oc2ccc(C#N)c3ccccc23)c(CC(=O)[O-])c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILFNWSJLIMQPEZ-LPYMAVHISA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccccc4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJPGQNPXKYSPK-YDZHTSKRSA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccc(C)cc4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPLJYXNKQQLAL-YDZHTSKRSA-N", "SMILES:COc1cccc(-c2csc(N/N=C/c3ccc4cc(OC)ccc4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUIWJYVVIQQFDT-YDZHTSKRSA-N", "SMILES:COc1ccc(-c2csc(N/N=C/c3ccc4cc(OC)ccc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPKMPVPSYEMBR-FSJBWODESA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4cccc(Cl)c4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBUQZHOHZXHLRK-FSJBWODESA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccc(Cl)cc4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNCHCTVVRHOBF-FSJBWODESA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4cccc(F)c4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTRWDPAHUGFKU-FSJBWODESA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccc(F)cc4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEHNFDWQMVUIO-ZMOGYAJESA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccc(C#N)cc4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCYOHUSDDWIAOC-WSDLNYQXSA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGOGSXOBKCLTC-WSDLNYQXSA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEQNIKMWHCSSB-YDZHTSKRSA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccc(S(C)(=O)=O)cc4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZAWBGBMNXOCJ-OGLMXYFKSA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNDBUKNNKMKML-CVKSISIWSA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccc5ccccc5c4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWBKGSFOVBVIG-BHGWPJFGSA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYJVNLEIXVZNI-ZMOGYAJESA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4cc5ccccc5o4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFETWOOBXACGFF-RGVLZGJSSA-N", "SMILES:CCOC(=O)Cc1csc(N/N=C/c2ccc3cc(OC)ccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNWPOZAIYENJI-VCHYOVAHSA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(C)c(C)s3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQFMWCOAWNUQH-RGVLZGJSSA-N", "SMILES:CCOC(=O)c1sc(N/N=C/c2ccc3cc(OC)ccc3c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBOPEKHWPNPCC-OEAKJJBVSA-N", "SMILES:COc1ccc2cc(/C=N/Nc3nc(-c4ccccc4)c(C)s3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLYBVTBKZUZJKE-LZYBPNLTSA-N", "SMILES:COc1ccc2cc(/C=N/NC3=NC(=O)CS3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUJNAHTGOZZMM-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cccc(NC(=O)CCCCCCC(=O)NO)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZQSYKHLPBHLSR-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1ccc(NC(=O)CCCCCCC(=O)NO)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFPFHKFYMNRQP-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(NC(=O)CCCCCCCCC(=O)NO)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMBYLRCFCVVDR-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(NC(=O)CCCCCCCC(=O)NO)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWIRZQYHZOIRPQ-FMIVXFBMSA-N", "SMILES:C#CCN(C)CCCOc1cc(NCc2ccc(/C=C/C(=O)NO)cc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYADYVATCLWADC-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(NCc2ccc(C(=O)NO)cc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCESJGHIRHHUMV-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(NC(=O)CCCCCCC(=O)NO)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWUDHPNWSNKHLF-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(NC(=O)CCCCCCC(=O)NO)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVSQJNPLWLKDU-PUKDPEDVSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZXNYLQMXMVADP-LMMPKFLZSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZRQODWRFVEDA-ZDCXKQOISA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCINVWKWAQOQC-LMMPKFLZSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVSQJNPLWLKDU-KUZLDLFVSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGHHQGDTOZNED-FGYKNJOZSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](C(=O)NC(C(C)C)P(=O)(Oc2ccccc2)Oc2ccccc2)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFFWJHWXICNHP-QNEOUMEDSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](OC(=O)CN)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZZSWERHZZHFCP-ZIHGTHEHSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](OC(=O)CCN)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCICBJIENGPST-MLUDQSQXSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@H](n2nnc(O)c2O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMKGCGFIYUQEH-ZZMDVGKSSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)O)nn2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJXZRVRLGIUGZ-LUEXPKKASA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](n2cc(CO)nn2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQQXDIWTBGIHBK-ZZMDVGKSSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](n2nncc2C(C)(C)O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQQXDIWTBGIHBK-LAEJRCJQSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@H](n2nncc2C(C)(C)O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCICBJIENGPST-JZSVDVDLSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](n2nnc(O)c2O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJXZRVRLGIUGZ-GGYSDRBRSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@H](n2cc(CO)nn2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQJFIPDCBJGJJO-UXEZOGPHSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](n2cc(C(N)=O)nn2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMIWVKCNBCTMKL-DDMOSAHQSA-N", "SMILES:CC(C)C(NC(=O)[C@@H]1C[C@@H](n2nncc2C(N)=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVHMDDSGTOTKLZ-UIOOFZCWSA-N", "SMILES:CC=C(C#N)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPSYWTLRXOGYIZ-SVBPBHIXSA-N", "SMILES:CCC=C(C#N)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNZPBTTVMCIORV-NSOVKSMOSA-N", "SMILES:CC(C)C=C(C#N)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CROGWWKTKKFIJR-NSOVKSMOSA-N", "SMILES:CN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)C(C#N)=CC4CC4)[C@@H](CC#N)C3)n1)CCN(c1cccc3cccc(Cl)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMJDNEMDMYIUFH-NSOVKSMOSA-N", "SMILES:CN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)C(C#N)=CC(C)(C)C)[C@@H](CC#N)C3)n1)CCN(c1cccc3cccc(Cl)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHPOPNXFDATJY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUUVOVMIQBOJCT-VOTSOKGWSA-N", "SMILES:O=C(O)/C=C/c1ccc(CN2CCC(NC(=O)c3cnc(-n4cccn4)nc3O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDVQKPOBMXVLT-UHFFFAOYSA-N", "SMILES:O=C(CCCNC(=O)c1cnc(-n2cccn2)nc1O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAWGXSLETXRCB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIXBSGFENSGHR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYPKBIHDUNXHP-QPJJXVBHSA-N", "SMILES:O=C(O)/C=C/c1ccc(OCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYHUUVBPZKYNX-QPJJXVBHSA-N", "SMILES:O=C(/C=C/c1ccc(OCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNOSKJUURVEYIX-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccc(OCCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGKLVOVIXQTJD-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnc(N2CCC(NC(=O)c3cnc(-n4cccn4)nc3O)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUODKBVPECNVGQ-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1ccc(CN2CCC(NC(=O)c3cnc(-n4cccn4)nc3O)CC2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXBFFCPFJFYHFX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cnc(N2CCC(NC(=O)c3cnc(-n4cccn4)nc3O)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZGOASWKLPXNEB-UHFFFAOYSA-N", "SMILES:COC(=O)CCCNC(=O)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHPFGHDJYZSQCF-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCNC(=O)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHFKCGSVDYBYJQ-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCCNC(=O)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMYFOWDYUWVRMJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCNC(=O)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJRDWOLVSYNLK-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCNC(=O)c1cnc(-n2cccn2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCRYOJSVYISWHD-UHFFFAOYSA-N", "SMILES:O=C(CCCCNC(=O)c1cnc(-n2cccn2)nc1O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWQYPLHCCNGBI-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)c1cnc(-n2cccn2)nc1O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYAHMCWMZPFMU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1cnc(-n2cccn2)nc1O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UISKHARMZHURDZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(OCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTUVZWRQGKXEP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(OCCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQWLSEOOJUOEDG-VMPITWQZSA-N", "SMILES:COC(=O)/C=C/c1ccc(OCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPTBDSJQSCAWEF-RMKNXTFCSA-N", "SMILES:COC(=O)/C=C/c1ccc(OCCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOZMPVHFZVGVGD-VMPITWQZSA-N", "SMILES:O=C(O)/C=C/c1ccc(OCCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIAQTRVFSJXBV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(OCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTOGBYKLSKFBF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(OCCCNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWOWKNEDLCWHV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWXSNSFPUAFSC-BQYQJAHWSA-N", "SMILES:COC(=O)/C=C/c1ccc(CN2CCC(NC(=O)c3cnc(-n4cccn4)nc3O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUWDXRWXKJPOY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(N2CCC(NC(=O)c3cnc(-n4cccn4)nc3O)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBNGSMCRNMTMY-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2cnc(-n3cccn3)nc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMLWEGVNXSCIQ-QGTPRVQTSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@H]2C[C@@H](N3CCCC3)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMLWEGVNXSCIQ-FHLIZLRMSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@H]2C[C@@H]1[C@@H](N1CCCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVVMBWSNIMBCCY-MAZHCROVSA-N", "SMILES:CN(C)[C@@H]1C[C@@H]2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVVMBWSNIMBCCY-UHOFOFEASA-N", "SMILES:CN(C)[C@H]1C[C@H]2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHMCKUPBHRIIT-ZMYBRWDISA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@H]2CC[C@@H](N3CCCC3)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHMCKUPBHRIIT-ZOCIIQOWSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@@H]2CC[C@H](N3CCCC3)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZZNXBVTPKFMS-PTXATLKXSA-N", "SMILES:CN(C)[C@@H]1CCC2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJUAKZYKCANOOZ-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5196638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZIOWPRBHSDET-QNSVNVJESA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN2CC[C@@H](N3CCCC3)C1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL128444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCCBWMZKJQGLS-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMLWEGVNXSCIQ-ZCDVPAHGSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC2CC1[C@H](N1CCCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMLWEGVNXSCIQ-GMXGEUMGSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC2CC1[C@@H](N1CCCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHMCKUPBHRIIT-PJOPYLDSSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC2CC[C@@H](N3CCCC3)C1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRYGRSTXJOCLP-QNVXDBMFSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1)CCCC2)c1cccc(CN2CCC(O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRZJAJNACODCON-CDLBOOTPSA-N", "SMILES:CN1CCCN(Cc2cccc(C(=O)Nc3sc4c(c3C(=O)N/N=C/c3ccc(Cl)c(C(F)(F)F)c3)CCN(C3CC3)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHBKYHHNXDTBFA-KZEIVMGFSA-N", "SMILES:CN(C)C1CCN(Cc2cccc(C(=O)Nc3sc4c(c3C(=O)N/N=C/c3ccc(Cl)c(C(F)(F)F)c3)CCN(C3CC3)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLDXOLIQWAPHL-KPRPFPDJSA-N", "SMILES:CN(C)CCN1CCN(Cc2cccc(C(=O)Nc3sc4c(c3C(=O)N/N=C/c3ccc(Cl)c(C(F)(F)F)c3)CCN(C3CC3)C4)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIYCPUHTJALKNS-KPRPFPDJSA-N", "SMILES:CCN(CC)CCCN(C)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N/N=C/c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2CC2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFKXSWDCWCFOB-JOXMEQDKSA-N", "SMILES:CCN(CC)CCCN(C)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N/N=C/c2ccc(Cl)c(C(F)(F)F)c2)CCC(C)(O)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRMYUPSXYZQSC-SAEPALGJSA-N", "SMILES:CC1(C)CCc2c(sc(NC(=O)c3cccc(OCCOCCOCCO)c3)c2C(=O)N/N=C/c2ccc(Cl)c(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONPKUDTHOYQAP-VQWGYEAZSA-N", "SMILES:CC1(C)CCc2c(sc(NC(=O)c3cccc(OCCOCCOCCOCCC(=O)O)c3)c2C(=O)N/N=C/c2ccc(Cl)c(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQVSGLKVJCCGCR-WSBIKYRQSA-N", "SMILES:CCN(CC)CCOCCOCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N/N=C/c2ccc(Cl)c(C(F)(F)F)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFEHZQIVTWERSL-YNPASXIJSA-N", "SMILES:CCN(CC)CCOCCOCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N/N=C/c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2CC2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRWARUPZCQBCB-YTSGMCHZSA-N", "SMILES:CCN(CC)C[C@@H](O)COCCOCCOCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N/N=C/c2ccc(Cl)c(C(F)(F)F)c2)CCC(C)(C)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPWZMJECOCJPU-YTSGMCHZSA-N", "SMILES:CC1(C)CCc2c(sc(NC(=O)c3cccc(OCCOCCOCCOC[C@H](O)CN(CCO)CCO)c3)c2C(=O)N/N=C/c2ccc(Cl)c(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203854", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174816", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197757", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185683", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWLQOVHDALHTOO-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXPXTIKDUKRMJQ-UHFFFAOYSA-N", "SMILES:CCNc1nc(Cl)nc2c1ncn2Cc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKCJGZNWZGUOO-UHFFFAOYSA-N", "SMILES:CCCNc1nc(Cl)nc2c1ncn2Cc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTSVDUQIDLMZLA-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(Cl)nc2c1ncn2Cc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1259018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOALABETOECQQ-WOJBJXKFSA-N", "SMILES:CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEWXNIGTMQNQE-IAGOWNOFSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCBr)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAPOEGVVBKMYML-QZTJIDSGSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCBr)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1259057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPRBOLWMKWUJJ-RTBURBONSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPFDTCRHIJSCEB-WOJBJXKFSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCBr)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMIOVZVSFDTBY-RTBURBONSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCC#N)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKMKNDIXGCZXCH-WOJBJXKFSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCC#N)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLWWSGXQRBKRT-QZTJIDSGSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCN=[N+]=[N-])CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACRVANKCOLGOH-RTBURBONSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCN=[N+]=[N-])CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIVYRMVELAOBQR-RTBURBONSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCN=C=S)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSGYMGDHJOUNEF-WOJBJXKFSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCN=C=S)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZRJXHOWGEEOE-FGZHOGPDSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCN4CCOCC4)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWTVFDEUBYVLE-DHIUTWEWSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCN4CCOCC4)CCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1259076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSXKNESDVLECTJ-VAMGGRTRSA-N", "SMILES:CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUGPBSYVIMUQIH-BRWVUGGUSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCBr)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLINLKANHGTGEM-KZNAEPCWSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCBr)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1259091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVNIVQCBPNSMZ-GUDVDZBRSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGVCSPKIMVTIT-VAMGGRTRSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUGCVZTQITSJP-KZNAEPCWSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCC#N)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYPZAGXVYUXPL-GUDVDZBRSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCC#N)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWZDPODCYWMBR-VAMGGRTRSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCC#N)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZQFDXVSJAHPK-KZNAEPCWSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCN=[N+]=[N-])CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJVQPXXEXGMIMN-GUDVDZBRSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCN=C=S)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAJJFOSDNIFFDH-YPAWHYETSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCN4CCOCC4)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJPVHQIRQEGQM-WXFUMESZSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCN4CCOCC4)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLINLKANHGTGEM-RCCFBDPRSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCBr)CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1259092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVNIVQCBPNSMZ-IPMKNSEASA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGVCSPKIMVTIT-XUVXKRRUSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYPZAGXVYUXPL-IPMKNSEASA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCC#N)CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWZDPODCYWMBR-XUVXKRRUSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCC#N)CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZQFDXVSJAHPK-RCCFBDPRSA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCN=[N+]=[N-])CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZPBQPQHFQIOFI-IPMKNSEASA-N", "SMILES:CC1(C)Oc2cc(C3(CCCCCN=[N+]=[N-])CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSFZOJDZJGPEN-HSZRJFAPSA-N", "SMILES:Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)[C@H](CC(=O)O)CO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBRNRWNSGONDTM-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOUZJDKWUGCEE-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMQDHLEVLBENQ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDNNHVSKYNMZBE-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(C)C)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCJRVAYEVZUCA-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC2CCCCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFJLXCICKRBGA-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC2CC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNMANIUVAWFMGY-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC2CCCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSCVFKPFUNUVRS-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2ccccc2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPLCSMTMSGOTK-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC2CCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXZMJYRHZCINAL-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCC2CCCCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPAORIXJDXFOD-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTTIPDVWMDEKFB-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCc2ccccc2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWHLPUSXCOXXOX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZXLNPTUHILCA-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISFUVRZKQPVJMG-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(OCc2cccc(-c3cccc(OCC4CC4)c3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYIPBRZNQMXQGE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWKBYMOZGAVIDO-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJUJKWUPWKPPX-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(OCc2cccc(-c3ccc(OCC4CC4)cc3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBAPSUYQIQRIZ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3cccc(COc4ccc(OCC(=O)O)c(F)c4)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYIQWKCVIUYYRH-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3cccc(COc4ccc(OCC(=O)O)c(F)c4)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIFBZWXTONJMSG-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(OCc2cccc(-c3ccc4cc(OCC5CC5)ccc4c3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPLKIJUQZDDKU-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(OCc2cccc(-c3ccc4ncoc4c3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXHFHNMRTHBCDJ-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(OCc2cccc(-c3ccc4ccoc4c3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVQBNMPXOIMOQX-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(OCc2cccc(-c3ccc4ccsc4c3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOYZSWONWLIZBD-QGZVFWFLSA-N", "SMILES:Cc1sc(N(CC2CC2)[C@H](C)c2ccc(-c3cc(Cl)ccc3-c3nc(=O)o[nH]3)cc2)nc1C(=O)NS(=O)(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPAAKXRJGBDAO-MRXNPFEDSA-N", "SMILES:Cc1sc(N(CC2CC2)[C@H](C)c2ccc(-c3cc(Cl)ccc3-c3nc(=O)o[nH]3)cc2)nc1C(=O)NS(=O)(=O)C1(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJYGXBUCRKUVSG-OAHLLOKOSA-N", "SMILES:Cc1sc(N(CC2CC2)[C@H](C)c2ccc(-c3cc(Cl)ccc3-c3nc(=O)o[nH]3)cc2)nc1C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPSZZEIWORIIPB-OAHLLOKOSA-N", "SMILES:CCS(=O)(=O)NC(=O)c1nc(N(CC2CC2)[C@H](C)c2ccc(-c3cc(Cl)ccc3-c3nc(=O)o[nH]3)cc2)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOYOFOGFSQJCL-CQSZACIVSA-N", "SMILES:Cc1sc(N(CC2CC2)[C@H](C)c2ccc(-c3cc(Cl)ccc3-c3nc(=O)o[nH]3)cc2)nc1C(=O)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENFPCRYBSINAJ-CYBMUJFWSA-N", "SMILES:Cc1sc(N(CC2CC2)[C@H](C)c2ccc(-c3cc(Cl)ccc3-c3nc(=O)o[nH]3)cc2)nc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCHBPYZXNYCJA-QGZVFWFLSA-N", "SMILES:Cc1ccc(-c2nc(=O)o[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc(C(=O)NS(=O)(=O)C4CC4)c(C)s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDXWCBSYBVUJP-GOSISDBHSA-N", "SMILES:CCc1sc(N(CC2CC2)[C@H](C)c2ccc(-c3cc(C)ccc3-c3nc(=O)o[nH]3)cc2)nc1C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHLGMWDZVHPDW-LJQANCHMSA-N", "SMILES:CCCc1sc(N(CC2CC2)[C@H](C)c2ccc(-c3cc(C)ccc3-c3nc(=O)o[nH]3)cc2)nc1C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQXFVAAMZUPSAF-LJQANCHMSA-N", "SMILES:Cc1ccc(-c2nc(=O)o[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc(C(=O)NS(=O)(=O)C4CC4)c(C(C)C)s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXOPKVPHIJCALP-HXUWFJFHSA-N", "SMILES:Cc1ccc(-c2nc(=O)o[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc(C(=O)NS(=O)(=O)C4CC4)c(CC(C)C)s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHRHVIXKJLNMSR-LJQANCHMSA-N", "SMILES:Cc1ccc(-c2nc(=O)o[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc(C(=O)NS(=O)(=O)C4CC4)c(C4CCC4)s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGLCYYIHLNVRG-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2nc(=O)o[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc(C(=O)NS(=O)(=O)C4CC4)c(C4CC4)s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURDVNVKASCGNM-HWYAHNCWSA-N", "SMILES:Cc1ccc(-c2nc(=O)o[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc(C(=O)NS(=O)(=O)C4CC4)c(C4CCOC4)s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQPNLAOFSVCOPM-LJQANCHMSA-N", "SMILES:COCCc1sc(N(CC2CC2)[C@H](C)c2ccc(-c3cc(C)ccc3-c3nc(=O)o[nH]3)cc2)nc1C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLYITJSCGFFBN-HXUWFJFHSA-N", "SMILES:Cc1ccc(-c2nc(=O)o[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc(C(=O)NS(=O)(=O)C4CC4)c(-c4ccncc4)s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPRJUSTOHXZIB-HXUWFJFHSA-N", "SMILES:Cc1ccc(-c2nc(=O)o[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc(C(=O)NS(=O)(=O)C4CC4)c(-c4cccnc4)s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJBJEJACKHEGGX-OAQYLSRUSA-N", "SMILES:COc1cccc(-c2sc(N(CC3CC3)[C@H](C)c3ccc(-c4cc(C)ccc4-c4nc(=O)o[nH]4)cc3)nc2C(=O)NS(=O)(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHTOPMDSLVEIPQ-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2nc(=O)s[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc(C(=O)NS(=O)(=O)C4CC4)c(C4CC4)s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVAVOERFUWHBNV-LJQANCHMSA-N", "SMILES:CONC(=O)c1ccc(C)cc1-c1ccc([C@@H](C)N(CC2CC2)c2nc(C(=O)NS(=O)(=O)C3CC3)c(C3CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZPOSHWJXQWRM-LJQANCHMSA-N", "SMILES:CNC(=O)c1ccc(C)cc1-c1ccc([C@@H](C)N(CC2CC2)c2nc(C(=O)NS(=O)(=O)C3CC3)c(C3CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCGQWURGEVXVMK-QGZVFWFLSA-N", "SMILES:CONC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)N(CC2CC2)c2nc(C(=O)NS(=O)(=O)C3CC3)c(C3CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGAYQWWZZYJXKF-QGZVFWFLSA-N", "SMILES:CNC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)N(CC2CC2)c2nc(C(=O)NS(=O)(=O)C3CC3)c(C3CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNAAQPBCOGXBRH-MRXNPFEDSA-N", "SMILES:C[C@H](c1ccc(-c2cc(Cl)ccc2C(N)=O)cc1)N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(C2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKNZBBCHQBNCF-GOSISDBHSA-N", "SMILES:CCONC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)N(CC2CC2)c2nc(C(=O)NS(=O)(=O)C3CC3)c(C3CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLNOMHYGSVFJE-MRXNPFEDSA-N", "SMILES:C[C@H](c1ccc(-c2cc(Cl)ccc2-c2nc(=O)o[nH]2)cc1)N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(C2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEHGSKPZMFKIGY-MRXNPFEDSA-N", "SMILES:C[C@H](c1ccc(-c2cc(Cl)ccc2C(=O)O)cc1)N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(C2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBRAPXHVCHAISR-GOSISDBHSA-N", "SMILES:CCNC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)N(CC2CC2)c2nc(C(=O)NS(=O)(=O)C3CC3)c(C3CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFOSCCFKIGQSEZ-JOCHJYFZSA-N", "SMILES:CCCCCCNC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)N(CC2CC2)c2nc(C(=O)NS(=O)(=O)C3CC3)c(C3CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYQKUCNLSQDGY-SSEXGKCCSA-N", "SMILES:C[C@H](c1ccc(-c2cc(Cl)ccc2C(=O)NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1)N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(C2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWIBHKJSPHMGG-AFLCPGBUSA-N", "SMILES:C[C@H](c1ccc(-c2cc(Cl)ccc2C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCOCCOCCOCCOCCN=[N+]=[N-])cc1)N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(C2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGZLGGNFMCMMO-VZUYHUTRSA-N", "SMILES:CCNC(=O)CCC(=O)N1Cc2ccccc2-c2nnn(CCOCCOCCOCCOCCOCCOCCNC(=O)c3ccc(Cl)cc3-c3ccc([C@@H](C)N(CC4CC4)c4nc(C(=O)NS(=O)(=O)C5CC5)c(C5CC5)s4)cc3)c2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDWTWJBKZIIMLK-KEFKFKIMSA-N", "SMILES:C[C@H](c1ccc(-c2cc(Cl)ccc2C(=O)NCCOCCOCCOCCOCCOCCOCCn2nnc3c2-c2ccccc2N(C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]4NC(=O)N[C@@H]42)Cc2ccccc2-3)cc1)N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(C2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYZHKSOXJPOEB-YBWOAVOSSA-N", "SMILES:C[C@H](c1ccc(-c2cc(Cl)ccc2C(=O)NCCOCCOCCOCCOCCOCCOCCn2nnc3c2-c2ccccc2N(C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)c2ccc(C(=O)[O-])c(-c4c5ccc(=[N+](C)C)cc-5oc5cc(N(C)C)ccc45)c2)Cc2ccccc2-3)cc1)N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(C2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSEZOFUXSMKMMW-JSSVEZLUSA-N", "SMILES:C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)CCC(=O)OCCOCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEAYXVZYEKYZLP-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNBKFZAGDAFWGO-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYDFIRCOQWIJF-UHFFFAOYSA-N", "SMILES:CCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEGAFTGQEYRMNA-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNATFBMLCPZRV-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJTZCQXBXCWNX-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVZFZXQJFFOPA-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCYMBAGJXBTOGB-UHFFFAOYSA-M", "SMILES:CC(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)[O-])C4)cc3)nn2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMISKDLMYADPKN-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(C(C)(C)C)cc4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSVQKOKEDVFVCV-UHFFFAOYSA-M", "SMILES:CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)[O-])C4)cc3)nn2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXVDRVYHVVIJDC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFAOLCVBOCNNPG-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)cc4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLFQNRFEKLUBS-UHFFFAOYSA-M", "SMILES:CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)[O-])C4)cc3)nn2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDIMUDFJGTHHF-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(C#N)c4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVVBCRCOWGXMBD-UHFFFAOYSA-M", "SMILES:CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)[O-])C4)cc3)nn2)cc1C#N.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMHICRYGYVMDJG-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBVMFLNCQAPZFA-UHFFFAOYSA-M", "SMILES:CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)[O-])C4)cc3)nn2)cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGOJMQKNSRAJO-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(C(F)(F)F)c4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEQYOLZTLGVXCN-UHFFFAOYSA-M", "SMILES:CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)[O-])C4)cc3)nn2)cc1C(F)(F)F.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWUFCNIGWPRUMJ-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(-c3cn(-c4ccc(C(C)(C)C)cc4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPMLGWISKFZPR-UHFFFAOYSA-M", "SMILES:CC(C)(C)c1ccc(-n2cc(-c3ccc(CN4CC(C(=O)[O-])C4)cc3)nn2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYWVGALKMSARL-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(-c3cn(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSFYNZSVPCTDR-UHFFFAOYSA-M", "SMILES:CC(C)Oc1ccc(-n2cc(-c3ccc(CN4CC(C(=O)[O-])C4)cc3)nn2)cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCCQERTXCJYDNO-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccc(Br)cc4)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTKJGBWCFGHWAK-UHFFFAOYSA-M", "SMILES:CCc1ccc(C2CC(c3ccc(CN4CC(C(=O)[O-])C4)cc3)=NO2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFVOEWZRCDTWNR-UHFFFAOYSA-M", "SMILES:CCCc1ccc(C2CC(c3ccc(CN4CC(C(=O)[O-])C4)cc3)=NO2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBGDTPWBADAKB-UHFFFAOYSA-M", "SMILES:CC(C)(C)c1ccc(C2CC(c3ccc(CN4CC(C(=O)[O-])C4)cc3)=NO2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDVOIQWGINNDV-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(C#N)c4)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAAJMSRKSPKQBQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLRXGZLKPHWMIQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)OC)C4)cc3)=NO2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWHIPLZRPRJDIY-UHFFFAOYSA-M", "SMILES:CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)[O-])C4)cc3)=NO2)cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLPDJGFJVDYIC-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(Cl)c4)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIDJHEDYGGYGFI-UHFFFAOYSA-M", "SMILES:CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)[O-])C4)cc3)=NO2)cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAEJZIRJDWIANV-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(C(F)(F)F)c4)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGDSVJCKZKRYBF-UHFFFAOYSA-M", "SMILES:CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)[O-])C4)cc3)=NO2)cc1C(F)(F)F.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWUKKCYKRLZBDN-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUIICPOWGSGSEE-UHFFFAOYSA-M", "SMILES:O=C([O-])C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPORJXUOCPWXIH-UHFFFAOYSA-M", "SMILES:CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CCC(C(=O)[O-])C4)cc3)nn2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXUHCFVRCLLEBB-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(Cl)c4)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJWJZIPCEAQHPX-UHFFFAOYSA-M", "SMILES:CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)[O-])C4)cc3)=NO2)cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXQZKAGCJJXDZ-UHFFFAOYSA-M", "SMILES:CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)[O-])CC4)cc3)=NO2)cc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXORWPYPSXABBI-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQDTEDXUHQISP-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(C(C)(C)C)cc4)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHYKKIAHMGSVQF-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccccc4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLNYPYVWWIUECF-UHFFFAOYSA-M", "SMILES:O=C([O-])C1CN(Cc2ccc(-n3cc(-c4ccccc4)nn3)cc2)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJALHDMRBMVBO-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(-n3cc(-c4ccc(Cl)cc4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWXDSIENBRWML-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(Br)cc4)nn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUBNPLXYCEYNF-UHFFFAOYSA-M", "SMILES:O=C([O-])C1CN(Cc2ccc(-n3cc(-c4ccc(Br)cc4)nn3)cc2)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYOYTJONKZBHGM-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQHRDXNTCGJJMD-UHFFFAOYSA-N", "SMILES:COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccccc4)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQUXAUWZVIRDKB-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccccc4)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OASBDMWLADFAQY-UHFFFAOYSA-N", "SMILES:CCc1ccc(C2CC(c3ccc(CN4CC(C(=O)OC)C4)cc3)=NO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSOTOYAUDAJHH-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(Cc2ccc(-n3cc(-c4ccc(C(C)(C)C)cc4)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPZMMWDVXJUAOV-UHFFFAOYSA-M", "SMILES:CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CCC(C(=O)[O-])CC4)cc3)nn2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELTTYCDBDMDJR-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCO)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVADFOLQKVWUEP-GOSISDBHSA-N", "SMILES:O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYATUYCRVVMUIO-UHFFFAOYSA-N", "SMILES:COCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAOOPZFOWVYFTB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIZFQGWQWCVHJZ-UHFFFAOYSA-N", "SMILES:CN1CCN(S(=O)(=O)c2ccc(-c3ccnc4[nH]ccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMZPINLTGLXRU-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCN1CCCCC1)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKZDFJQJAJGNRH-UHFFFAOYSA-N", "SMILES:CN(CCO)S(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IONJGLRMLNKQBY-UHFFFAOYSA-N", "SMILES:CC(=O)OCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFDUNPSOWZSVMT-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDENKAQRYIQHNB-SFHVURJKSA-N", "SMILES:O=S(=O)(N[C@H](CO)Cc1ccccc1)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDENKAQRYIQHNB-GOSISDBHSA-N", "SMILES:O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAVVBNYUOQVLD-KRWDZBQOSA-N", "SMILES:O=S(=O)(N[C@H](CO)Cc1ccc(O)cc1)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAVVBNYUOQVLD-QGZVFWFLSA-N", "SMILES:O=S(=O)(N[C@@H](CO)Cc1ccc(O)cc1)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVADFOLQKVWUEP-SFHVURJKSA-N", "SMILES:O=S(=O)(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGHPRNGEDIGQN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPHVXVMXQQZEKA-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCN1CCOCC1)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKBKVOIUPMMUHO-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBIUFGUNMWHRF-UHFFFAOYSA-N", "SMILES:O=C(O)CCSc1nc2ncccc2n1Cc1ccc(C2CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPZVSKBSWHUHU-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc2cnccc2n1Cc1ccc(C2CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKHXJKYGFGXZSS-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1nc2ncccc2n1Cc1ccc(Br)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXLDKOFFZDBZLY-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1nc2cnccc2n1Cc1ccc(Br)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUFOHCHVTUDFNH-UHFFFAOYSA-N", "SMILES:CC(Oc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGENAEFVCCKFFK-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGGALCZLOFABG-UHFFFAOYSA-N", "SMILES:O=C(O)CCOc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHOBWBSMNFECBL-UHFFFAOYSA-N", "SMILES:O=C(O)C1(Oc2nc3ncccc3n2-c2ccc(C3CC3)c3ccccc23)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKWZWUUWZMUNAN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cccc(OC(C)=O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PISZURKEVBXQNK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cccc(OCC(=O)OCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UESKGTSLDNVZTD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSAOEAQCNWNBE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cccc(OC(C)(C)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPJUNGSMJWIICZ-KTKRTIGZSA-N", "SMILES:CCCCCC/C=C\\CCCCCCCc1cccc(OCC(=O)OCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZAMYALIFSBPS-QXMHVHEDSA-N", "SMILES:CCCCCC/C=C\\CCCCCCCc1cccc(OC(C)(C)C(=O)OCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDTUIUGMDAGPP-FPLPWBNLSA-N", "SMILES:CCCCCC/C=C\\CCCCCCCc1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIMPQGIVIDVYGC-KTKRTIGZSA-N", "SMILES:CCCCCC/C=C\\CCCCCCCc1cccc(OC(C)(C)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL30915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDSGPNKWBGVCV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cccc(OC)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCPCQTFJJJQCGQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1ccc(C(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46403", "category": ["biolink:ChemicalEntity"], "name": "STEARIC ACID", "xref": ["InChIKey:QIQXTHQIDYTFRH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)O"], "synonym": ["E570", "Stearic acid", "Purified stearic acid", "Stearic acid", "Stearic acid 50", "Stearic acid 70", "Adeka sa 300", "Barolub fta", "Century 1210", "Dervacid 3155", "Edenor htict-n", "Fatty acids, hydrogenated tallow", "Hydrofol acid 150", "Hydrogenated tallow acid", "Hydrogenated tallow acid, beef", "Hydrogenated tallow acids", "Hydrogenated tallow fatty acids", "Hyfac 410", "Hyfac 420", "Hyfac 421", "Hyfac 422", "Hystrene 7018", "Kolliwax s fine", "N-octadecanoic acid", "Neo-fat 18-57", "Neo-fat 18-58", "Palmitostearic acid", "Prifac 5905", "Pristerene 4910", "Pristerene 4916", "Pristerene 4981", "Pristerine 4989", "Purified stearic acid", "Stearate", "Sterene 460", "Sterene 60b", "Sterene 60r", "Tallow acid, hydrogenated", "Tallow fatty acids, hydrogenated", "Tallow, acids, hydrogenated", "Tallow, hydrogenated fatty acids", "FEMA NO. 3035", "NSC-25956", "NSC-261168"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5173082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGBHYXZLPCUJI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1ccc(C(=O)O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHHJCVKNPPRKL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cccc(OC(C)(C)C(=O)OCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATWNZBAOHHIADR-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)c(CCOc2ccc(CN(CC(=O)O)C(=O)Oc3ccccc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQIYGYDPRBEUAZ-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(SCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFIIXHNINPVADF-BKMDBHAQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDFMLJUIAXUPK-LQTGAOIKSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPQZVBPBSXLQJU-MFCZVQBRSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFTCPJRBKNSDMB-NXINGILCSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFCKRFRDFRGHNU-XTAOWZOESA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYCHVAQTAKLIC-CWACUWPGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOTBULYREJMRQG-LTVPXMSISA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKJPJJMIRNIRY-ZJLYPEPDSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLOWKKIPQKBJLT-ZJLYPEPDSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWKFCDEABBNAK-JSXOOGAKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNHKFPIEMJFENE-PSHLATPDSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYCHVAQTAKLIC-AFPATDHQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYCHVAQTAKLIC-IEGROCTHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTHPSNEJUPLEQ-FFWNTYGYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTHPSNEJUPLEQ-LFYCCYJNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTHPSNEJUPLEQ-YQUUYLAGSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOBMGTPCGVDGEO-DNJMOYGGSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)COCCOCCOCCOCCOCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDFEYOVAILVDZ-DFMIAAMVSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)NCCCCC(=O)NCCCCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAJXCOOOHQEYIJ-DWUWLRCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUIKWXUSTWSKSH-CWACUWPGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHZIAJWURHRTFV-YYQNIRDASA-N", "SMILES:CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGODRTBAUSIWQH-RQIWQQLSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGOEQIXHJVLJI-YYQNIRDASA-N", "SMILES:CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKUDCBPRJRFFR-MOHSKWOISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBRXBMWNCSTOCJ-RBLRGALTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOIHHOAOSEJKI-CWACUWPGSA-N", "SMILES:CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRWHVOXBKNTRP-GURUMXMVSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@H](C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHQAFYSWFOSCIM-RBLRGALTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAAPOXZEBGVKOD-CWACUWPGSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDPYOUYRQGSPLE-KUVKOWMYSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCCIDRCTVDXCLQ-ACEXOZOHSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXBRXRMMIUKLOR-HIXGFQDXSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYKRGPAKJPACX-JSXOOGAKSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGHNUWUJDKODLA-DDFWIJSPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGZOKVXIMSGGR-DDFWIJSPSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXHYIVLSLCRDB-FGYJWODXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTHPSNEJUPLEQ-HUNCKMCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZHLYDIIFHCEM-CWACUWPGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXJSHGTLSAEAI-CFHSFYIRSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJKSKHPYACAGN-ZVIIWVDQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)NCCCCC(=O)NCCCCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYJRNWFIRYVNPG-XYTNTKGWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cn(C)c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTOVKOJZHFDYFE-DFNXKAHBSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCCCCC(=O)NCCCCC(=O)NCCCCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLNUEYHTRRWEB-UHFFFAOYSA-N", "SMILES:COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHARHHFJZCWJOD-UHFFFAOYSA-N", "SMILES:COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCC(OC)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPUVQISHJVXTC-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(=O)c2ccsc2NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALQDGYVZZVYOGY-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHSAGNIXIDZUQJ-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCOCC1)Nc1n[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMZZYWXGOGWFK-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SODDJOOZEVURLA-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCN(c2ccccc2)CC1)Nc1n[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRVJOYKYWBNCNN-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(N4CCCCC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAPKYBVMPJHUOI-UHFFFAOYSA-N", "SMILES:COc1cc2nc3c(c(N4CCOCC4)c2cc1OC)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAIVPEBVZWQHCI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2c3c(nc4ccc([N+](=O)[O-])cc24)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOCITIVLDEXBN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc3c(c(Nc4[nH]nc5ncccc45)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELNVWZDMSBUAV-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2c3c(nc4ccc([N+](=O)[O-])cc24)CCCC3)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKQWGSCAYEALR-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(NCCO)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHKMYOWNYNDGJT-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(NCCN4CCOCC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHAGFQQXUBFFNL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2nc3c(c(N4CCCCC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENMCQOIGJKWQC-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc2ncccc2c1NC(=O)Cn1nc2ncccc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1)Nc1[nH]nc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSEVMSVAXAZESV-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccccc2)CC1)Nc1n[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOKSOGOBDVDSS-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCCC1)Nc1n[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRBPSWQZOHNNRA-UHFFFAOYSA-N", "SMILES:CN1CCN(CCC(=O)Nc2n[nH]c3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZFSSACAFOYKN-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(N4CCOCC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COXUDBLORLPKBL-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(N4CCN(C)CC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTKIALXGDMRVEJ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc3c(c(N4CCOCC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAAXYLLOLXDGK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc3c(c(N4CCCCC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUHJJQVDONAZDM-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(Nc4[nH]nc5ncccc45)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFOEEWMQWJFGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(NCCCl)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXSXRQVSCGYBK-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(NCCN4CCCCC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBSRIKWLHNRNMA-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(NCCN4CCN(C)CC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWHDNJUCQNGPQG-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(NCCN4CCN(Cc5ccccc5)CC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGIBRHXFGQHKKA-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(c(N4CCN(c5c6c(nc7ccc(C)cc57)CCCC6)CC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODICAYAMQUQPSL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2nc3c(c(N4CCOCC4)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYJGARZINSSEOU-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCN3CCOCC3)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRYPYDPKSZGNS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUMAXLRGBKFQP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(Cl)nc(Oc3ccc([N+](=O)[O-])cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOIMPAZRZOEHDI-STZFKDTASA-N", "SMILES:CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=N\\Nc1ccc(Br)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1479456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNQHRWPKJSNGPN-ALCCZGGFSA-N", "SMILES:NC(=O)CN1C(=O)C(O)(CC(=O)/C=C\\c2ccc3c(c2)OCO3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVKCJZJQUOLGN-UHFFFAOYSA-N", "SMILES:O=C(CC1C(=O)NCCN1C(=O)CCl)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWJGLIJTRUXIZ-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNNLYUYNDNJOFO-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1ccc(C(=O)NO)cc1)Cc1cc(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORRALXXDFMZZIR-UHFFFAOYSA-N", "SMILES:CC(C)CN(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUKCKPJZSKUEPW-UHFFFAOYSA-N", "SMILES:COCCN(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWPTNPNDDDGGL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(C2CCCC2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSMPRINJCSYQS-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc2c(c1)CCN(S(=O)(=O)c1cc(F)c(F)c(F)c1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROQOAJYHTWWMSE-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1ccc(C(=O)NO)cn1)S(=O)(=O)c1cc(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECUOKFKAABNGR-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1ccc(CC(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETAQQWYUSODQX-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NO)ccc1CN(C(C)C)S(=O)(=O)c1cc(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTCZOFQMGHMJRU-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccc(O)cc2)o1)NCCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVZSYNYRHWMLJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTZNUVSKVRYCJ-UHFFFAOYSA-N", "SMILES:Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVYKWSMAQYLXOQ-GOSISDBHSA-N", "SMILES:CCOC[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJVWIZCJQXORSJ-DHLYAETASA-N", "SMILES:CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZXLJTCMHQXVJW-UTMJBIBJSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DASHUKGLLYFZSN-TXINUMBWSA-N", "SMILES:CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKZOFLGCSPMBPS-YAQNKXQCSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGUDJRLYHSLQDK-JNJOEZQJSA-N", "SMILES:CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCOCCOCCn1cc(CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]23C=Cc2cc([N+](=O)[O-])ccc2O3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]23CCc2cc([N+](=O)[O-])ccc2O3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKBSPJLGLPLAW-LPHOTGGXSA-N", "SMILES:CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCOCCOCCn1cc(CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]23C=Cc2cc([N+](=O)[O-])ccc2O3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]23CCc2cc([N+](=O)[O-])ccc2O3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHIMYGNCUXLNRB-ZDCRTTOTSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCc1ccccc1)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METAKUVFAGUKGU-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2nc3ccc(Br)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVJKKHVSDACSH-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Cl)cc2)nc2ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFNVZYJIQMZNX-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Br)cc2)nc2ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHTKUUZZZLGMJS-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccncc2)nc2ccccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPYOCBVCWHCXFU-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Br)cc2)nc2ccc(Br)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5021347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHHDPBPMHUGJCU-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Br)cc2)nc2ccc(Cl)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYHSQJDXUQKEU-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Br)cc2)nc2ccc(F)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMSPEWICLLTFZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(Br)cc3)[n+]([O-])n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQNAOIKTNTEGP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2nc(-c3ccc(Br)cc3)[n+]([O-])n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQROUWDBZLODA-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Br)cc2)nc2ccc(C(F)(F)F)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NITPQHYXQREJIT-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Br)cc2)nc2cc(Br)ccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQISVBCXYHRRPX-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJONMBCBVRZOY-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Br)cc2)nc2cc(F)ccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCRWCOWRNWOOJ-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Br)cc2)nc2c(Br)cccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVHJGGSAUVMAIZ-UHFFFAOYSA-N", "SMILES:[O-][n+]1c(-c2ccc(Br)cc2)nc2cccc(Br)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDVEQLTYXRWJV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2nc3ccc(Br)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDJXGOVNDHFNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccc(Br)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBOVHXUHZRLSK-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc3ccc(Br)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBAAGPPMCVKTFM-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccc(Br)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWIMHUHGTFSTQE-UHFFFAOYSA-N", "SMILES:Brc1cccc(-c2nc3ccc(Br)cn3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYLOVUFSCWBPU-UHFFFAOYSA-N", "SMILES:Brc1ccc2nc(-c3ccccc3Br)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKRMULLNYGWSR-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2nc3cccc(Br)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLSQJIRQQYNWTM-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2nc3cc(Br)ccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNHYXGVMDQBFBD-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2nc3c(Br)cccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXVEWXFYBAEAO-UHFFFAOYSA-N", "SMILES:Fc1ccc2nc(-c3ccc(Br)cc3)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYRFVVXPQXINM-UHFFFAOYSA-N", "SMILES:Clc1ccc2nc(-c3ccc(Br)cc3)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVMAFHOUFGMTQD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2nc(-c3ccc(Br)cc3)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPGVUPFRGTVIQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CSc1nc2ccc(OCCCOc3ccnc(N)n3)cc2c(=O)n1Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMGQQWNQWHMPHG-MHZLTWQESA-N", "SMILES:N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KANFMBTVUGVXPD-DYVQZXGMSA-N", "SMILES:N/C(=N\\C(=O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRERDFYLXHUYLV-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAQWEXKJGTBEV-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Cc1c2ccccc2cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMLBGTJNMNSLGB-CPNJWEJPSA-N", "SMILES:C=CS(=O)(=O)Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CCC(=O)OCC)C3=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXYUIOFYEXFNSM-PTHRTHQKSA-N", "SMILES:C=CS(=O)(=O)NCCNC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTVINXSHVXFAL-SVQBMZPRSA-N", "SMILES:C=CS(=O)(=O)CCc1cn(CCOCCOCCOCCNC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMQHGANCZSSDP-LQJRMDTASA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(CCCCn2cc(CNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC3C(=O)c4ccccc4C(=O)C3Cl)nn2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGQKCZANPRJDI-SZUGLEHISA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(C(=O)NCCCCCC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)CC)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYIIZGWHPUZNMS-KXGOTKQISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYMDYLAWBYOWGN-UHFFFAOYSA-N", "SMILES:Cn1ccc2ccc(O)c(C(=O)OCC(F)(F)F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWQVZDCDBWSSU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(O)ccc2ccn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPIJPGMALQQDD-UHFFFAOYSA-N", "SMILES:Cc1cc2ccn(C)c2c(C(=O)OCC(F)(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJLOGWFCHNICP-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(CCCO)cc(O)c(C(=O)OCC(F)(F)F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIGQJKRFNQIFIL-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CCCO)c(O)c(C(=O)OCC(F)(F)F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNLCSOKMGDMTG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CO)cn(C)c2c1C(=O)NCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKAQNWWZYPRCEE-UHFFFAOYSA-N", "SMILES:COc1ccc2ccn(C)c2c1C(=O)OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOJPDYUXPORJL-UHFFFAOYSA-N", "SMILES:CCCC(C)n1ccc2ccc(-c3c(C)noc3C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLNCPSNENGUCN-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2ccn(Cc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDNJRXWZPVPKM-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2ccn(Cc3ccccn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXMBKZASUROHNU-UHFFFAOYSA-N", "SMILES:CCC(C)n1ccc2ccc(C3=CN(C)C(=O)C4NC=CC34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGOKHQRTVGTIHQ-UHFFFAOYSA-N", "SMILES:CCCC(C)n1ccc2ccc(C3=CNC(=O)C4NC=CC34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUEYEQJAHGGLJE-UHFFFAOYSA-N", "SMILES:O=C1NC=C(c2ccc3ccn(Cc4ccccc4)c3c2)C2C=CNC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUOOUGYYRIFMA-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2ccc3ccc(C4=CNC(=O)C5NC=CC45)cc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYNNFIHARLZJD-UHFFFAOYSA-N", "SMILES:O=C1NC=C(c2ccc3ccn(Cc4ccc(F)cc4)c3c2)C2C=CNC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGQEZDKWCZKLG-UHFFFAOYSA-N", "SMILES:O=C1NC=C(c2ccc3ccn(Cc4cc(F)cc(F)c4)c3c2)C2C=CNC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXIURJHLSYGYRA-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1ccc2ccc(C3=CN(C)C(=O)C4NC=CC34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUUNUTOBMVHUHT-UHFFFAOYSA-N", "SMILES:CN1C=C(c2ccc3ccn(Cc4ccccn4)c3c2)C2C=CNC2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBLSQALVPSLLIU-UHFFFAOYSA-N", "SMILES:Cc1cn(Cc2ccccc2)c2cc(C3=CN(C)C(=O)C4NC=CC34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INVMSIYSQVZGTK-UHFFFAOYSA-N", "SMILES:Cc1cn(Cc2cc(F)cc(F)c2)c2cc(C3=CN(C)C(=O)C4NC=CC34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXYOPGGFSMXOX-GOSISDBHSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](C(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRQBURFCFZDLJ-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYFZASJDBSWLW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3cc(-c4n[nH]c(=S)o4)ccc3[nH]2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNVAVIXHRVMILI-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2ccc3[nH]c(-c4ccc(Oc5ccccc5)cc4)nc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQWKDGPNMCMIN-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccc(OCc3ccccc3)cc2)nc2cc(-c3n[nH]c(=S)o3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTDEUANMBEOQX-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2ccc3[nH]c(Cc4ccc(OCc5ccccc5)cc4)nc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAWZUUOFRBKLTQ-UHFFFAOYSA-N", "SMILES:CC(c1ccc(Oc2ccccc2)cc1)c1nc2cc(-c3n[nH]c(=S)o3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKRVLCFGVHAAH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2n[nH]c(=S)o2)ccc1F)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVMGJMEWXAJOG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2n[nH]c(=S)o2)c1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUDWZXMLMKPNN-SOFGYWHQSA-N", "SMILES:CC(=O)N(O)C/C=C/c1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHDDTRVTHIJATC-SKNLQIEOSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(C)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUGDLQNHMJHQU-FLVZEYGMSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGGKGPBEVRNGQ-FLVZEYGMSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(F)cc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTKXWXIDHKYUPT-FLVZEYGMSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cccc(Cl)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWRDPQIFCOENHX-BENAGCMUSA-N", "SMILES:[N-]=[N+]=Nc1ccc(CNc2nc(C#Cc3ccc(F)c(F)c3)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJWIVXWEDFMUKC-VTZCBGDCSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4ccc(F)c(F)c4)nc(C#Cc4cccc(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJWIVXWEDFMUKC-YJJXXQEKSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(C#Cc4cccc(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJWIVXWEDFMUKC-OUIHGNDWSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@@H]4c4ccc(F)c(F)c4)nc(C#Cc4cccc(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPHYMOJMRXOMN-WIWLRPHFSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3cnc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLLLJJYBWLGHW-RETBCAHYSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOVCEBXLMYNOAK-RETBCAHYSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(N=[N+]=[N-])cc4)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDQNVPICCYTLX-AZIAKEARSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(-n5cc(-c6ccc(F)c(F)c6)nn5)c4)nc(C#Cc4ccc(F)cc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZUGZULLHYRSTF-UEIGIEMISA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(-n5cc(-c6ccc(F)c(F)c6)nn5)c4)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZYYVVWRBBGCU-AZIAKEARSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(-n5cc(-c6ccc(F)c(F)c6)nn5)c4)nc(C#Cc4cc(F)cc(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWUKACHMESFYTN-SULNUPQQSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(-n5cc(-c6ccc(F)c(F)c6)nn5)c4)nc(C#Cc4ccc(F)cc4F)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLOAHLCSBWJQS-FOAJDBNHSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(-n5cc(-c6ccc(F)c(F)c6)nn5)c4)nc(C#Cc4cc(F)c(F)c(F)c4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZRWWDDRPUPKKA-AZIAKEARSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(-n5cc(-c6ccc(F)c(F)c6)nn5)c4)nc(C#Cc4ccc(C(F)(F)F)cc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLAHZAHALVQKF-IDGBQWIPSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDWVNNYXONUCC-SESLHZFHSA-N", "SMILES:CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(C(=O)NC)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHKHNQYCDYUIU-IDGBQWIPSA-N", "SMILES:CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(C(=O)OC)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDEGKXOLHYGXRE-IMRXQVFVSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2089342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRDCKIVPOWNFM-QSJAHPCTSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3ccc(F)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1434729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJXGQILHAUCCV-HNSFDTNUSA-N", "SMILES:CNC(=O)[C@@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5190336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEUICBIGFDONQO-UHFFFAOYSA-N", "SMILES:Fc1ccc(C#CC2=NC3=NC=NC3C(NCc3cccc(Cl)c3)=N2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPGVOUSHGNBBN-UHFFFAOYSA-N", "SMILES:Clc1cccc(CNC2=NC(C#Cc3ccc(Cl)s3)=NC3=NC=NC32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSRLRLLPWILXLA-UHFFFAOYSA-N", "SMILES:Clc1ccc(C#CC2=NC3=NC=NC3C(NCCc3ccccc3)=N2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBEWFHZTMBWRGZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCNC2=NC(C#Cc3ccc(Cl)s3)=NC3=NC=NC32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPFMHAAXLGXWPP-UHFFFAOYSA-N", "SMILES:COc1cc(CCNC2=NC(C#Cc3ccc(Cl)s3)=NC3=NC=NC32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNUQRJLCGQOND-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC2=NC(I)=NC3=NC=CC32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHIKGFLBDPVZFT-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC2=NC(C#Cc3ccc(Cl)s3)=NC3=NC=CC32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQOPKHFOQKBEZ-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(NCCc3ccccc3)nc(C#Cc3ccc(Cl)s3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDPDPBOLOJQDL-CIHOBBNESA-N", "SMILES:C=C(OCC)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGIESUIHAXUKG-CIHOBBNESA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC)cc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSSEVPFGYVOQG-CIHOBBNESA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)cc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWKLDPCWUUNTL-WNQRMCIFSA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1ccc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFKBZHLNXOYDHB-SESLHZFHSA-N", "SMILES:CCCOC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXLKODNUWORSE-SESLHZFHSA-N", "SMILES:CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(C(=O)OC(C)C)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRJLQWNWPJFCU-XNNBUEOLSA-N", "SMILES:CCCCOC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUSLNKPDMVLBNM-YSDALADHSA-N", "SMILES:CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(C(=O)OCCC(C)C)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQRLRSPSRAABY-DXTWCIHJSA-N", "SMILES:CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(C(=O)OCCC3CCCCC3)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGQOZMBQCSXXBL-VTOGDGFCSA-N", "SMILES:CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(C(=O)Oc3ccccc3)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZIKZOYYELKBGE-DXTWCIHJSA-N", "SMILES:CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(C(=O)OCCc3ccccc3)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXVZGJIJDLNINF-HRKXUHDCSA-N", "SMILES:CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(C(=O)OCCCc3ccccc3)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOXIPFXPBCNFCC-MCSCLANISA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JARNTEKDRUWDJN-SPXZTQBISA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQJIGACPRKRHW-XQHPTCSASA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1ccc3c(NC4CC4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQIGBZXAPSSLID-SSRPITISSA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1ccc3c(NCC4CC4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZDGGXNORFAFM-YOLPVHPBSA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1ccc3c(NCCc4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWPBDKPSOOVMU-GGLHRAIPSA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1ccc3c(NCCCc4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXUCQCUMAULOM-BICLTWJVSA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1ccc3c(NCCCc4ccccc4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZVATYFYSPOLW-VPYFRMBSSA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1ccc3c(NCCCc4ccc(OC)c(O)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMDSSWFRCKHSD-BJAJKIPMSA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1ccc3c(NCCCc4ccc(OC)c(O)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMIQQJEFFPRAQ-SPXZTQBISA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPHNZYDMRWKISV-DSQFPLEVSA-N", "SMILES:COC(=O)[C@@]12CCCC3([C@H](OCCO)OC1)[C@H]2CC[C@H]1[C@@H](C)c2ccoc2C[C@@H]13"]}
{"name": "Serine/threonine-protein kinase SIK1", "xref": ["CHEMBL.TARGET:CHEMBL5169157"], "id": "UniProtKB:Q60670", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIAUQKDEICZOC-HPWKBGANSA-N", "SMILES:COC(=O)[C@@]12CCCC3([C@H](OCCOCCO)OC1)[C@H]2CC[C@H]1[C@@H](C)c2ccoc2C[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHLIFSHMZZQKEH-OICBDDKUSA-N", "SMILES:COC(=O)[C@@]12CCCC3([C@H](OCCOCCOCCOCCO)OC1)[C@H]2CC[C@H]1[C@@H](C)c2ccoc2C[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRSVEVWHGGAPK-QHCPKHFHSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXQGECJXSNLDT-PMERELPUSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCOCCOCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGSAJJKBJPAIG-SANMLTNESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1ccccn1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZNDCCJYAZWSSI-SANMLTNESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1cccnc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTUOFIZGMJCRPO-SANMLTNESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1ccncc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTQHPBRGVRWFNB-DEOSSOPVSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1nccn1C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDXGNUQQXISOJG-DEOSSOPVSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1cncn1C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGXSONGNSUYSL-DEOSSOPVSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1cn(C)cn1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXIOLHZJJQPKPW-DGYJJALDSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXDXFASTYRNAT-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSAKJUORXHALE-MHZLTWQESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKDXALUTGNNKE-DEOSSOPVSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFKBVIBMZZWYQU-DEOSSOPVSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOHPYAGFYPLZOF-VWLOTQADSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)CC(C)C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERSRTGAVPDGJC-DEOSSOPVSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)C(C)C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVYAZDCPAMETC-QHCPKHFHSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)CC)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQIOZZYNXRYZGT-QHCPKHFHSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHBDSFXEBBZEY-MHZLTWQESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFZYQTCGQVEJNF-MHZLTWQESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1ccccc1F)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVOFFYWFVMQNDP-MHZLTWQESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIOADOSJUCPBM-MHZLTWQESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXFKKUGDZMWMIJ-HKBQPEDESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXJZHIDJSRQQK-HKBQPEDESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNTHNHPPHKBBEW-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRXLJXYPPAKGO-LJAQVGFWSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGDZETADFOPJNH-PMERELPUSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBMPFWPDHHJQOV-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRTATHJFVCWSOU-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNDYIFVKPPTKMT-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1F)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNIKCLWHBUKISM-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJLVBJOGNOFVAV-LJAQVGFWSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIRYUKNGAGFNOD-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1OC)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJXRUBWLJSXOBW-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKHNBGSRJPWSV-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1Br)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYJMFXNKMXYMCE-MHZLTWQESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHYKVLXCWRLBW-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNCMWMXAIIDDD-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccc(F)cc1F)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDPGSFJKGANLSN-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1C(F)(F)F)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXRNLCHVJQSMDH-NDEPHWFRSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLZSPQLCQFUAJO-MHZLTWQESA-N", "SMILES:C=CC(=O)NCCCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCVJVSZEBVCEHE-QHCPKHFHSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NS(=O)(=O)CC)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVSROJMHHCIHAA-QFIPXVFZSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZRRTLGODZKDT-QFIPXVFZSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL60254", "category": ["biolink:ChemicalEntity"], "name": "BALANOL", "xref": ["InChIKey:XYUFCXJZFZPEJD-XMSQKQJNSA-N", "SMILES:O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5185043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGOSAIKVYWCTJ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1nc(NC2CCCCC2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKTIMGKTTJTCFS-VIFPVBQESA-N", "SMILES:O=c1c2ccccc2[se]n1-c1nc(N[C@H]2CC[Se]C2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIXKQWZFUQAEA-VIFPVBQESA-N", "SMILES:O=c1c2ccccc2[se]n1-c1nc(N[C@H]2CCOC2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJHXECYQSSEITB-UHFFFAOYSA-N", "SMILES:Cl.O=c1c2ccccc2sn1-c1nc(NC2CCCC2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFFJLLQMEFTHRP-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1-c1nc(NC2CCSC2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRSWONRPDLSLR-DMDPSCGWSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1nc(N[C@@H]2C[C@H]3CC[C@@H]2C3)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPHIMBYLZYOLK-UHFFFAOYSA-N", "SMILES:CCCNc1nc(-n2[se]c3ccccc3c2=O)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLRWSSSCKDFGHG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1nc(-n2[se]c3ccccc3c2=O)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRSPOIYHCTXLY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cncc(C#N)c2Nc2ccc(Cl)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLOQCQEJSONAI-UHFFFAOYSA-N", "SMILES:Cc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNEBRKQGWAFVHQ-UHFFFAOYSA-N", "SMILES:CC(C)CC(N)c1ncc2cc(-c3cnco3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMYPMVQKKTROD-UHFFFAOYSA-N", "SMILES:CCc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMYPMVQKKTROD-AWEZNQCLSA-N", "SMILES:CCc1nc([C@@H](N)CC(C)C)nc2ccc(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMYPMVQKKTROD-CQSZACIVSA-N", "SMILES:CCc1nc([C@H](N)CC(C)C)nc2ccc(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFMIVGZVXAYZIQ-UHFFFAOYSA-N", "SMILES:CCCc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHVBRMCYTZAOLR-UHFFFAOYSA-N", "SMILES:COc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMDSWVNARPCVLK-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPKPNREOGGNTO-UHFFFAOYSA-N", "SMILES:CNc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXVUJKALDQIAD-UHFFFAOYSA-N", "SMILES:CCNc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGPDAKRDSZZFK-UHFFFAOYSA-N", "SMILES:CC(C)CC(N)c1nc(N(C)C)c2cc(-c3cnco3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFLJTLHADONQIB-UHFFFAOYSA-N", "SMILES:CC(C)CC(N)c1nc(C#N)c2cc(-c3cnco3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFMOJJCYFCTLU-CQSZACIVSA-N", "SMILES:CCc1nc([C@H](N)CC(C)C)nc2cc(OC)c(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGMRGWCOBKGME-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C(N)CC(C)C)nc(C#N)c2cc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTXVHJHSDVQNI-UHFFFAOYSA-N", "SMILES:CCc1nc(C(N)CC(C)C)nc2ccc(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGOSDRIVBILFF-UHFFFAOYSA-N", "SMILES:CCc1nc(CCC(C)C)nc2ccc(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWUZXXWQOOBIN-UHFFFAOYSA-N", "SMILES:CCc1nc(C(N)CC(C)C)nc2cc(OC)c(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUCCPKKLISTAQR-UHFFFAOYSA-N", "SMILES:CC(C)CC(N)c1nc(C#N)c2cc(-c3ccncc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJHMBHAYHUAIZ-UHFFFAOYSA-N", "SMILES:CC(C)CC(N)c1ccc2cc(-c3ccncc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNWOBLAZAYOSG-UHFFFAOYSA-N", "SMILES:CC(C)CC(N)c1cc(C#N)c2cc(-c3ccncc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNWOBLAZAYOSG-GOSISDBHSA-N", "SMILES:CC(C)C[C@@H](N)c1cc(C#N)c2cc(-c3ccncc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNWOBLAZAYOSG-SFHVURJKSA-N", "SMILES:CC(C)C[C@H](N)c1cc(C#N)c2cc(-c3ccncc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOFDVGHFGKFHPV-OAHLLOKOSA-N", "SMILES:CC(C)C[C@@H](N)c1cc(C#N)c2cc(-c3cnco3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOFDVGHFGKFHPV-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](N)c1cc(C#N)c2cc(-c3cnco3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONHNEDBUTPGTDH-UHFFFAOYSA-N", "SMILES:CC(C)CC(N)c1nc2ccc(-c3ccncc3)cc2cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFMOJJCYFCTLU-AWEZNQCLSA-N", "SMILES:CCc1nc([C@@H](N)CC(C)C)nc2cc(OC)c(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVHXHVGFFIKHW-UHFFFAOYSA-N", "SMILES:COc1c(-c2cnco2)ccc2nc(C(N)CC(C)C)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFMOJJCYFCTLU-UHFFFAOYSA-N", "SMILES:CCc1nc(C(N)CC(C)C)nc2cc(OC)c(-c3cnco3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLKYHNOVHBKUGP-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C(N)CC(C)C)ncc2cc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWZPOYUTYXAPK-UHFFFAOYSA-L", "SMILES:O=c1[nH]cnc2c1ncn2CCOCC(O)P(=O)([O-])[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBFSLWYERVHPCU-UHFFFAOYSA-L", "SMILES:Nc1nc2c(ncn2CCOCC(O)P(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHIVEDFPANBIH-RQCPZROWSA-L", "SMILES:O=c1[nH]cnc2c1ncn2CCC/C=C/P(=O)([O-])[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNAUPPCXXXPSG-UHFFFAOYSA-L", "SMILES:O=c1[nH]cnc2c1ncn2CCCC(O)C(O)P(=O)([O-])[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYPRDKBDDNOIH-HQVOVKSBSA-L", "SMILES:Nc1nc2c(ncn2C[C@H](COCP(=O)([O-])[O-])OCC(O)CO)c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYPRDKBDDNOIH-AEUOCKLGSA-L", "SMILES:Nc1nc2c(ncn2C[C@@H](COCP(=O)([O-])[O-])OCC(O)CO)c(=O)[nH]1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSSKQNIICFCALC-RASHCQHBSA-J", "SMILES:O=c1[nH]cnc2c1ncn2C[C@H](COCP(=O)([O-])[O-])OCCCP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSSKQNIICFCALC-ZWACTXNCSA-J", "SMILES:O=c1[nH]cnc2c1ncn2C[C@@H](COCP(=O)([O-])[O-])OCCCP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKWJHWBSKCPDBH-XWCOYVICSA-J", "SMILES:Nc1nc2c(ncn2C[C@H](COCP(=O)([O-])[O-])OCCCP(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKWJHWBSKCPDBH-USHJOAKVSA-J", "SMILES:Nc1nc2c(ncn2C[C@@H](COCP(=O)([O-])[O-])OCCCP(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVHPTNKMMFULDN-MGMKKPHLSA-J", "SMILES:O=c1[nH]cnc2c1ncn2C[C@H](COCP(=O)([O-])[O-])OCC(O)P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVHPTNKMMFULDN-DANFDYGCSA-J", "SMILES:O=c1[nH]cnc2c1ncn2C[C@@H](COCP(=O)([O-])[O-])OCC(O)P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTIKPWJHQIBIG-UIAPRUFOSA-J", "SMILES:Nc1nc2c(ncn2C[C@H](COCP(=O)([O-])[O-])OCC(O)P(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTIKPWJHQIBIG-BEDASJRDSA-J", "SMILES:Nc1nc2c(ncn2C[C@@H](COCP(=O)([O-])[O-])OCC(O)P(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTIKPWJHQIBIG-NOTWHITJSA-J", "SMILES:Nc1nc2c(ncn2C[C@@H](COCP(=O)([O-])[O-])OC[C@H](O)P(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTIKPWJHQIBIG-PDFZZBEWSA-J", "SMILES:Nc1nc2c(ncn2C[C@@H](COCP(=O)([O-])[O-])OC[C@@H](O)P(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSPSCNUPDHXMTB-ZWRXAYIMSA-J", "SMILES:O=C(CCP(=O)([O-])[O-])N1CC(OCCP(=O)([O-])[O-])[C@H](n2cnc3c(=O)[nH]cnc32)C1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTAZEVYCQCAIH-GRZPVHHXSA-J", "SMILES:O=C(CCP(=O)([O-])[O-])N1CC(OC[C@@H](O)P(=O)([O-])[O-])[C@H](n2cnc3c(=O)[nH]cnc32)C1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIMMFKVSICIWNR-USHJOAKVSA-J", "SMILES:Nc1nc2c(ncn2C[C@@H](COCCOP(=O)([O-])[O-])COCP(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKWTOWBXBIBBT-UHFFFAOYSA-J", "SMILES:Nc1nc2c(ncn2CC(COCP(=O)([O-])[O-])COCP(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHHMGOHBQQDXBP-AFUMVMLFSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/c3ccc(Cl)cc3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKHVDWSWUQPKJ-AFUMVMLFSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/c3ccc(F)cc3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUYQDJCABRZBE-BUVRLJJBSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/c3ccccc3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPKUKKCIXSTTM-CCVNUDIWSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/c3ccc(C(F)(F)F)cc3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFJDKCNBVZRHS-MFKUBSTISA-N", "SMILES:Cc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLFWUUBVZOPPW-MFKUBSTISA-N", "SMILES:COc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCRFQCIXYQUEKJ-ZVHZXABRSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/c3ccc([N+](=O)[O-])cc3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXMWWMADOKFIIP-WGOQTCKBSA-N", "SMILES:CN(C)c1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGJJTLZMYEHRS-DHRITJCHSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/c3ccc4c(c3)OCO4)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKVRLSWDFBFXCJ-OGLMXYFKSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/c3cccc4ccccc34)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARRJWUINHALEQ-ZVHZXABRSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/c3ccccn3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBGTSSVDFULMO-LPYMAVHISA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/c3cccs3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPWMUHPKBCYBY-JFLMPSFJSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/c3c[nH]c4ccccc34)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCVHDWXFYZHIG-VULFUBBASA-N", "SMILES:CCCCc1nc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)c(Cl)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPRRTBZNFAMIKK-LQKURTRISA-N", "SMILES:Cc1nn(-c2ccccc2)cc1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMWCEDBUPZSDU-YZSQISJMSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/CCc3ccccc3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNICPYINLZJRU-LGFPMUJSSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(N/N=C/C=C/c3ccccc3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQPAASSVZQNYRK-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3ccc(CN(C)C)c(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPSWPRKJYJNTEG-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3ccc(CN(CC)CC)c(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDNLMFWVFUODEG-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCCC4)c(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAFBBPBROARMRS-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCCCC4)c(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGHYXPXMAUZFF-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCOCC4)c(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPLCUCLMSBGCV-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCN(C)CC4)c(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPULOMMTSRRKX-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCN(CC)CC4)c(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIMPBYFAOWXAY-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3ccc(CN(CC)Cc4ccccc4)c(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCKJXXBDSVBHLB-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3cccc(CN(CC)CC)c3O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJOHKADIPZUCCI-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3cccc(CN4CCCC4)c3O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZMBGHYNNSWBQ-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3cccc(CN4CCCCC4)c3O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDIXRLYKQCVGTP-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3cccc(CN4CCOCC4)c3O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRINCQTQWAOML-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3cccc(O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQDCTTYBLWOZJJ-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(OCc3ccccc3O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNFJRRMUAOHKI-MRXNPFEDSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3ccnn3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUGHMCPIZIROPV-GOSISDBHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVUHCQNKYUICNT-UHFFFAOYSA-N", "SMILES:CC1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAVDJHDXNKJFFY-UHFFFAOYSA-N", "SMILES:CC1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPOETCUFZXKTE-UHFFFAOYSA-N", "SMILES:CC1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3ccc(N4CCOCC4)nc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLQUTZMTCIDBFI-QGZVFWFLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3ccc(=O)n(C)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNRHZIRQMVKTD-MRXNPFEDSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3ccsc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGDDGFCZRMKNT-MRXNPFEDSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3ccoc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHBSHIEEKVMIJ-QGZVFWFLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3cccn3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEFWSCNSRDJBC-MRXNPFEDSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3cnn(C)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZVAIXMNZGKHLZ-OAHLLOKOSA-N", "SMILES:Cc1ncc(-c2ccc3nc(-c4cccc5[nH]ccc45)nc(N4CCOC[C@H]4C)c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSGXEFWDBDHPB-MRXNPFEDSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3cncn3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUIAYFXEGCNYMU-OAHLLOKOSA-N", "SMILES:Cc1noc(C)c1-c1ccc2nc(-c3cccc4[nH]ccc34)nc(N3CCOC[C@H]3C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVQMUUGLCCUIJW-QGZVFWFLSA-N", "SMILES:CCn1nccc1-c1ccc2nc(-c3cccc4[nH]ccc34)nc(N3CCOC[C@H]3C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPVSBSMTHWJIY-GOSISDBHSA-N", "SMILES:CC(C)n1nccc1-c1ccc2nc(-c3cccc4[nH]ccc34)nc(N3CCOC[C@H]3C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRMHHBFFRBPFGO-FOEZPWHWSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3ccnn3C3CCCCO3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGCPDAYNCWGINY-XZATXCMXSA-N", "SMILES:CCOC(c1ccc2nc(-c3cccc4[nH]ccc34)nc(N3CCOC[C@H]3C)c2c1)n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLPQNIQKALMBID-OAHLLOKOSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2ccc(-c3ccnn3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEQDTIRBXKCSCI-OAHLLOKOSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cc(F)cc3[nH]ccc23)nc2ccc(-c3ccnn3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSKTSOPBVWZOV-MRXNPFEDSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2c[nH]c3ccccc23)nc2ccc(-c3ccnn3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWCEVIHQWENQO-OAHLLOKOSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2c[nH]c3ncccc23)nc2ccc(-c3ccnn3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNUWRWVDGRZKGQ-CQSZACIVSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2c[nH]c3ncc(F)cc23)nc2ccc(-c3ccnn3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAVUZSDEGWLEJK-OAHLLOKOSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc3[nH]ccc3c2)nc2ccc(-c3ccnn3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOLAHXQZJFZBEP-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNFJRRMUAOHKI-INIZCTEOSA-N", "SMILES:C[C@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3ccnn3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGABLSCWYDBZLR-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc2nc(-c3cccc4[nH]ccc34)nc(N3CC4CCC(C3)O4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSCQCBFSOIRJMW-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc2nc(-c3cccc4[nH]ccc34)nc(N3C4CCC3COC4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMZZDONBTKFKIF-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc2nc(-c3cccc4[nH]ccc34)nc(N3CC4CC3CO4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3558756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNRWBCFHAFTTQU-WJYFWIIUSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4596992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUSTTSJUZYCDI-CRZLPGHHSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4596941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNGNOOFNSJGQRC-KUOFOABLSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4596414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVGYYSPDSERNQ-KUOFOABLSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOLVFWYZOODQEN-UECQYTEQSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFPDHLEGKDYNI-YGVSIWEKSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)C2CCN(C)CC2)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVSLZJMWYZCRS-QMSQYKBOSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCN(C)CC2)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZFVJVVYWBTSG-KUOFOABLSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4597308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAZZRZYOVBSDFO-YBRGTMTKSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C)C2CCCCC2)[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFCAJKFSHIVTF-POMKPVMLSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)C1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXAHTPRHWBPDPW-OCMBVBNHSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C2CCN(C)CC2)C1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFCCJMVTIFFHI-IEDZHHLPSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)C1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJRUXZPHLVEIG-JWNBQHQMSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C2CCN(C)CC2)C1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXDCLDSCMWOHL-KWJLABMDSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)C1Cc1ccc(-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSZHRNCWHWDGN-USHAHLKOSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C2CCN(C)CC2)C1Cc1ccc(-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCRYWGMBODLOTL-LBRNLSNBSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)C1Cc1ccc(-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYGZORLNLCMLD-WYUYGYAUSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C2CCN(C)CC2)C1Cc1ccc(-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUKQNIZFSGQJL-ADWIQHBLSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)C1Cc1ccc(-c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMRMINMEZKQSF-VMZLFOEJSA-N", "SMILES:COC1=CC(=O)N(C(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C2CCN(C)CC2)C1Cc1ccc(-c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQNFKXWEJORMGJ-FVOAXITGSA-N", "SMILES:CCCC[C@H]1O[C@@H]1/C=C/C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5180152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOAPGITMAMCFT-RQTVHLMQSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOPVQXIKMEFFV-SIXPOYHZSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWGYSWBATYFBD-RQTVHLMQSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQMIHWLSWEYPU-SIXPOYHZSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(c2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYLMYZLCQJJVMF-RQTVHLMQSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPCDHHSQYGEDU-SIXPOYHZSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUWAZMLXUQIQKT-SIXPOYHZSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2cccc(c2)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAYNLXAIIPDZPE-SIXPOYHZSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2ccc(cc2)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZTOIAMYLKDGSL-NZBWMEQUSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2cccc(c2)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLIRRQCYHFOXGC-SIXPOYHZSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2ccccc2CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJJPWQKDIADBFI-NZBWMEQUSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2ccccc2CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKJCBWLGAJZFW-VFNWGFHPSA-N", "SMILES:CCn1c(=O)c2c(c3ccc(C)nc31)O[C@@](C)(CCO)C[C@H]2C=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOZEMNVLZVGJZ-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5201432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHWKRIWFNQJJJH-UHFFFAOYSA-N", "SMILES:C=CC1(C)CC(C=C(C)C)c2c(c3ccccc3n(C)c2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCBDIVGHHIHSP-UHFFFAOYSA-N", "SMILES:CC(C)=CC1CC(C)(CCO)Oc2c1c(=O)n(C)c1ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVBMEHJQSKXAU-CSLHTZHMSA-N", "SMILES:COc1cc(OC)c2ccc(=O)oc2c1/C=C/[C@@]1(C)C[C@@H](C=C(C)C)c2c(c3ccccc3n(C)c2=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5208713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFXCJIONADTCE-UHFFFAOYSA-N", "SMILES:CC(C)=CC1CC(C)(CCO)Oc2c1c(=O)n(C)c1ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWBRTHFWVVOGCT-UHFFFAOYSA-N", "SMILES:CC(C)=CC1CC(C)(CCO)Oc2c1c(=O)n(C)c1ccncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIWTYRVHDJEJSX-UHFFFAOYSA-N", "SMILES:CC(C)=CC1CC(C)(CCO)Oc2c1c(=O)n(C)c1ncncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYCXJMEODVHKM-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2c(c3cccnc31)OC(C)(CCO)CC2C=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHIFKIWCXLSGE-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2c(c3cccnc31)OC(C)(CCO)CC2C=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFBXIOAZCMVRQ-UHFFFAOYSA-N", "SMILES:CC(C)=CC1CC(C)(CCO)Oc2c1c(=O)n(C(C)C)c1ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXKFJBMIGWVNO-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2c(c3cccnc31)OC(C)(CCO)CC2C=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYSKSZKVSYHSZ-UHFFFAOYSA-N", "SMILES:CC(C)=CC1CC(C)(CCO)Oc2c1c(=O)n(C1CC1)c1ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQOJLLHLPFEMDO-UHFFFAOYSA-N", "SMILES:CC(C)=CC1CC(C)(CCO)Oc2c1c(=O)n(-c1ccccc1)c1ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKJCBWLGAJZFW-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2c(c3ccc(C)nc31)OC(C)(CCO)CC2C=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKJCBWLGAJZFW-YCRPNKLZSA-N", "SMILES:CCn1c(=O)c2c(c3ccc(C)nc31)O[C@](C)(CCO)C[C@@H]2C=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRBYOQZQHATINN-UHFFFAOYSA-N", "SMILES:CCc1ccc2c3c(c(=O)n(CC)c2n1)C(C=C(C)C)CC(C)(CCO)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRBYOQZQHATINN-QRQCRPRQSA-N", "SMILES:CCc1ccc2c3c(c(=O)n(CC)c2n1)[C@H](C=C(C)C)C[C@](C)(CCO)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRBYOQZQHATINN-OYHNWAKOSA-N", "SMILES:CCc1ccc2c3c(c(=O)n(CC)c2n1)[C@@H](C=C(C)C)C[C@@](C)(CCO)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRMKEXZGMEFEN-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2c(c3ccc(C(F)(F)F)nc31)OC(C)(CCO)CC2C=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRMKEXZGMEFEN-XCLFUZPHSA-N", "SMILES:CCn1c(=O)c2c(c3ccc(C(F)(F)F)nc31)O[C@@](C)(CCO)C[C@H]2C=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRMKEXZGMEFEN-RNODOKPDSA-N", "SMILES:CCn1c(=O)c2c(c3ccc(C(F)(F)F)nc31)O[C@](C)(CCO)C[C@@H]2C=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZJHBZNXZMEWTQ-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2ccccn2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUZZZPGMVSZGPG-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITUIWBPYHWGOL-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccc(F)c2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRUHJNSIYSCIL-JTQLQIEISA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cc(F)cc(F)c2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQPXBYZULBEHV-ZDUSSCGKSA-N", "SMILES:Cc1ccc2c(c1)c([C@H](C)Nc1ncnc3[nH]cnc13)nn2-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUZZZPGMVSZGPG-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVMTMJHTVAIOM-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDOQCWZQHHIEFZ-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2ccc(C#N)cc2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZWMBGPZSMHJJ-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKVTRMFUFDLJN-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTILFNMDSXNYCF-HNNXBMFYSA-N", "SMILES:CC[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZBGROLTJXTPGF-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nn(-c2cccnc2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIDZQRIWQDJNLN-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2ccncc2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVXPBWSBWYUJDM-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKAPXJZUJDBFMJ-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1nn(-c2cccnc2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIKWTYEHANIRQ-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCNQSUIAAFERP-HNNXBMFYSA-N", "SMILES:CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSSLTPCGYPSOR-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXHPZQUOQACIJ-HNNXBMFYSA-N", "SMILES:CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJLNJOURBJUPK-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccc(S(C)(=O)=O)c2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWNICQCSECWFBM-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMOMLZSKVGPJC-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKYNGNMJPJEFN-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2ccncc2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOCNQLAMBTWCZ-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBYGMJCPPEJIO-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGQSFNLFEGFLKW-UHFFFAOYSA-M", "SMILES:O=P([O-])(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVIWDXJJMPJJY-UHFFFAOYSA-N", "SMILES:O=P(O)(CC1=Cc2ccccc2Sc2ccccc21)CC1=Cc2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBALCJWXWPYZAS-UHFFFAOYSA-N", "SMILES:O=P(O)(OC1=Cc2ccccc2Sc2ccccc21)OC1=Cc2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHPSLTOOUSTOBR-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2ccccc2Sc2ccccc21)OC1=Cc2ccccc2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRWWSUSMFRYQKH-UHFFFAOYSA-M", "SMILES:O=P([O-])(Oc1cc2ccccc2c2ccccc12)Oc1cc2ccccc2c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCQBGVURGMVXJA-UHFFFAOYSA-M", "SMILES:O=P([O-])(Oc1c2ccccc2cc2ccccc12)Oc1c2ccccc2cc2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBFRYRNLBGYDSE-KUADKREBSA-M", "SMILES:O=P([O-])(O/C(=C\\c1ccccc1)C1C=CC=CC1)O/C(=C\\c1ccccc1)C1C=CC=CC1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEUFBTUMIJYMHV-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2ccccc2Oc2ccccc21)OC1=Cc2ccccc2Oc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKCDXKYDSFZAR-UHFFFAOYSA-M", "SMILES:CN1c2ccccc2C=C(OP(=O)([O-])OC2=Cc3ccccc3N(C)c3ccccc32)c2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBZLLEQMCDSCRO-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2ccccc2Cc2ccccc21)OC1=Cc2ccccc2Cc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEYVQUSNHXOWQW-UHFFFAOYSA-M", "SMILES:O=c1c2ccccc2cc(OP(=O)([O-])Oc2cc3ccccc3c(=O)c3ccccc23)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPDYORCJFPSMD-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2ccccc2C2(CC2)c2ccccc21)OC1=Cc2ccccc2C2(CC2)c2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFIMNXXSKAJLM-HVJINTJUSA-M", "SMILES:O=P([O-])(O/C1=C/c2ccccc2/C=C\\c2ccccc21)O/C1=C/c2ccccc2/C=C\\c2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYICCLMCCIPCU-XGUYBVJSSA-M", "SMILES:O=P([O-])(O/C1=C/c2ccccc2CCc2ccccc21)O/C1=C/c2ccccc2CCc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUQRJTJKYIGWPW-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDFRFZPJNJUVKW-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)Sc1ccccc1C=C2OP(=O)([O-])OC1=Cc2ccccc2Sc2cc(OC)ccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWJGHLSQWAEUOQ-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)C(OP(=O)([O-])OC1=Cc3ccccc3Sc3ccc(OC)cc31)=Cc1ccccc1S2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABIYBOGWZCKJCZ-UHFFFAOYSA-M", "SMILES:CCOc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1=Cc2ccccc2Sc2c(OCC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QICNENXXYMPFOV-UHFFFAOYSA-M", "SMILES:CC(C)Oc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC(C)C)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKJQASKWWMWRIY-UHFFFAOYSA-M", "SMILES:Cc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1=Cc2ccccc2Sc2c(C)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNLZKOQVVOVAV-UHFFFAOYSA-M", "SMILES:Cc1ccc2c(c1)Sc1ccccc1C=C2OP(=O)([O-])OC1=Cc2ccccc2Sc2cc(C)ccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYWACMFXFGYOMK-UHFFFAOYSA-M", "SMILES:Cc1ccc2c(c1)C(OP(=O)([O-])OC1=Cc3ccccc3Sc3ccc(C)cc31)=Cc1ccccc1S2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKIQPXQAAYGKX-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2ccccc2Sc2c(F)cccc21)OC1=Cc2ccccc2Sc2c(F)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNTORYOJCCLETF-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2ccccc2Sc2cc(F)ccc21)OC1=Cc2ccccc2Sc2cc(F)ccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKQSROGCJJJKSU-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2ccccc2Sc2ccc(F)cc21)OC1=Cc2ccccc2Sc2ccc(F)cc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMDGHRIFJGNBKH-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2c(F)cccc2Sc2ccccc21)OC1=Cc2c(F)cccc2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKMFZNEFXJDEI-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2cc(F)ccc2Sc2ccccc21)OC1=Cc2cc(F)ccc2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRBTHHXFRPJAF-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2ccc(F)cc2Sc2ccccc21)OC1=Cc2ccc(F)cc2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDJFYWKJFWUNK-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2cccc(F)c2Sc2ccccc21)OC1=Cc2cccc(F)c2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFIDCMUEKCPJLL-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2c(Cl)cccc2Sc2ccccc21)OC1=Cc2c(Cl)cccc2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTPKPWDPKIHDCB-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2cc(Cl)ccc2Sc2ccccc21)OC1=Cc2cc(Cl)ccc2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRLLUNPQUKMBEP-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2ccc(Cl)cc2Sc2ccccc21)OC1=Cc2ccc(Cl)cc2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRBSISFFVWVYLN-UHFFFAOYSA-M", "SMILES:O=P([O-])(OC1=Cc2cccc(Cl)c2Sc2ccccc21)OC1=Cc2cccc(Cl)c2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANVZUOSVGLTEV-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1cccc(F)c1C=C2OP(=O)([O-])OC1=Cc2c(F)cccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRFZYNSJZDDSK-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccc(F)cc1C=C2OP(=O)([O-])OC1=Cc2cc(F)ccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYWONDAMOWJEC-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1cc(F)ccc1C=C2OP(=O)([O-])OC1=Cc2ccc(F)cc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVHWWCJKGUZEY-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1c(F)cccc1C=C2OP(=O)([O-])OC1=Cc2cccc(F)c2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFBMTNNETSYHAS-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)C=C(OP(=O)([O-])OC1=Cc3cc(OC)ccc3Sc3c(OC)cccc31)c1cccc(OC)c1S2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROISPJLISLVPRS-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)Sc1c(OC)cccc1C(OP(=O)([O-])OC1=Cc3ccc(OC)cc3Sc3c(OC)cccc31)=C2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJQREBXNAKZHR-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1c(OC)cccc1C(OP(=O)([O-])OC1=Cc3cccc(OC)c3Sc3c(OC)cccc31)=C2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKIMYGOWBXCFX-UHFFFAOYSA-N", "SMILES:N#CC1=Cc2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3546846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFYGOYSNGFPHEN-LSDHHAIUSA-N", "SMILES:N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOKTYMNPAGJHMH-BWHLVSMOSA-N", "SMILES:N[C@H]1CC[C@H](NC2CC2c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQTJJAFBRJMIQI-HCGXYVQGSA-N", "SMILES:N[C@H]1CC[C@H](CNC2CC2c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTZTLITXZHKSP-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CNC2CC2c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGHJNNZRSYSSLT-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3NCc3ccc4[nH]ccc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICMSESOTHCHTP-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXQJBPWJSHBGDH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3NCC3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUVZNDZPWURMFT-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3NCc3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMBFNWGLJARDJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3NCc3ccncc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPIMLOAOSZMOIZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3NCCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKEKIWUQGGNVGF-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3NC3CC4(CCNCC4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRGQPFQPMURFTL-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3NCC3CNC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGYPGKEBOFBFZ-UHFFFAOYSA-N", "SMILES:CC1(CNC2CC2c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKHPQREDHGACS-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3NCC3CCN(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOHMXILIJCNFY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFMRNLTUCWGOZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2ccccc2c1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJYWAQNMQLIZQD-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INQKWJDMYNNQIV-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)N2CCc3cc(C4CC4NCC4CCNCC4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKMLEAXZTXYLL-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXJFPDYHNSBYGX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOFKLSGYBTRDH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJPVUNDSPJYEQJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(N1CCc2cc(C3CC3NCC3CCNCC3)ccc21)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGUPEQLFTNNQQK-UHFFFAOYSA-N", "SMILES:O=S(=O)(C1CCCCC1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWNVNOJYAHKRW-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQRSRLEWGEPTB-UHFFFAOYSA-N", "SMILES:CCCC(=O)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDZPAWQRFBUNAT-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJJYZGMQBJHIFM-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAVHPSORWPTXPA-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSMMBZAXHBZQH-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)N1CCc2cc(C3CC3NCC3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCWLZJQGMLJOM-OMYKBPHGSA-N", "SMILES:O=C(N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMZDNVQHFRLSA-QJSWLHHPSA-N", "SMILES:CCN1CCN(C(=O)CCC(=O)OC[C@]2(C)c3oncc3C[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@@H]4CC(C)(C)CC[C@]4(C(=O)OCc4ccccc4)CC[C@]32C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFNESCJUPSDFG-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1[nH]ccc12"]}
{"name": "Glutamate 5-kinase", "xref": ["CHEMBL.TARGET:CHEMBL5169221"], "id": "UniProtKB:P0A7B5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZNSPQWRDWFGH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)nc(CCc1ccccc1)c1[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEWFRNLLNXKYJJ-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2ccccc2c2cc[nH]c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1773677", "category": ["biolink:ChemicalEntity"], "name": "MARINOQUINOLINE A", "xref": ["InChIKey:ACXUHCGZGZYMGI-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2c2cc[nH]c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1773679", "category": ["biolink:ChemicalEntity"], "name": "MARINOQUINOLINE C", "xref": ["InChIKey:PWTJJPSHOLKBPE-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1773680", "category": ["biolink:ChemicalEntity"], "name": "MARINOQUINOLINE D", "xref": ["InChIKey:IBYIBTVYTZSSQN-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1773681", "category": ["biolink:ChemicalEntity"], "name": "MARINOQUINOLINE E", "xref": ["InChIKey:UQYYXZNJDIWWEW-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)nc(-c1c[nH]c3ccccc13)c1[nH]ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1773682", "category": ["biolink:ChemicalEntity"], "name": "MARINOQUINOLINE F", "xref": ["InChIKey:LLIFNBFVMVAQMZ-UHFFFAOYSA-N", "SMILES:O=C(c1c[nH]c2ccccc12)c1nc2ccccc2c2cc[nH]c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5201904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWVVWIPMDANYOZ-TXEJJXNPSA-N", "SMILES:COc1ccc(-c2cnc3sc(N[C@H]4CC[C@@H](N)CC4)nn23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGROGDMIGGHZAV-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nn3c(-c4ccc(F)cc4F)cnc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHMCRAIMDGAWBT-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1cnc2sc(N3CCC(C)(N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQLTAUECPDOLQ-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cnc2sc(N3CCC(C)(N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMAFQZGNHUKXMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3sc(N4CCC(C)(N)CC4)nn23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVINCYZMDDHNBQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc3sc(N4CCC(C)(N)CC4)nn23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBVDXLQZTHSFRO-UHFFFAOYSA-N", "SMILES:CCOc1cc(F)ccc1-c1cnc2sc(N3CCC(C)(N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPZKUYOHNUHRGQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(F)ccc1-c1cnc2sc(N3CCC(C)(N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBYSNXYCNCTJE-UHFFFAOYSA-N", "SMILES:COCCOc1cc(F)ccc1-c1cnc2sc(N3CCC(C)(N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDMDKCNZSDBSKP-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nn3c(-c4cccc5c4OCC5)cnc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFCKANMZAMMUQG-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nn3c(-c4cccc5cc[nH]c45)cnc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMOIWMEVIUMRN-UHFFFAOYSA-N", "SMILES:COc1nc(F)ccc1-c1cnc2sc(N3CCC(C)(N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIEJSMXIRVTGCU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc3sc(N4CCC(C)(N)CC4)nn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWDGREILGDRFLL-UHFFFAOYSA-N", "SMILES:CC(C)(C)C#Cc1cnc2sc(N3CCC(C)(N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVOIFAPUPJDRIA-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nn3c(C#CCO)cnc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGGCHUXCYBHUAQ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nn3c(C4=CCCCC4)cnc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKIGHOTHYACFW-UHFFFAOYSA-N", "SMILES:CC(C)(N)CNc1nn2c(-c3ccc(F)cc3F)cnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173264", "category": ["biolink:ChemicalEntity"], "name": "INE-963", "xref": ["InChIKey:JYHSRMKXBAPFST-UHFFFAOYSA-N", "SMILES:COc1nc(C(C)C)ccc1-c1cnc2sc(N3CCC(O)(CN)CC3)nn12"], "synonym": ["Ine-963", "Ine963"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CINWOKNKISYTFR-DGCLKSJQSA-N", "SMILES:COc1cc(F)ccc1-c1cnc2sc(N3CC[C@@H](N)[C@H](O)C3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLPSCOCJCGVPTM-WCQYABFASA-N", "SMILES:COc1cc(F)ccc1-c1cnc2sc(N3CC[C@@H](O)[C@@H](N)C3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLPSCOCJCGVPTM-AAEUAGOBSA-N", "SMILES:COc1cc(F)ccc1-c1cnc2sc(N3CC[C@H](O)[C@@H](N)C3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVHQTVVHQPDCS-NWDGAFQWSA-N", "SMILES:COc1cc(F)ccc1-c1cnc2sc(N3CC[C@@H](N)[C@@H](F)C3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWWHWWIJYYNVCR-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cnc2sc(N3CCC(N)(CO)C3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPIAZLCZOJMGS-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cnc2sc(N3CCC(O)(CN)C3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVVVDLZBHSYIFS-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cnc2sc(N3CCC(O)(CN)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPYRIDXFRONXQJ-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cnc2sc(N3CCC(N)(CO)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXLQWSOPHQGLLI-UHFFFAOYSA-N", "SMILES:CCOc1cc(F)ccc1-c1cnc2sc(N3CCC(O)(CN)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIYJPKCVTQPVFU-UHFFFAOYSA-N", "SMILES:COc1nc(C)ccc1-c1cnc2sc(N3CCC(O)(CN)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKWJZFVLAJSQLZ-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(C)C)ccc1-c1cnc2sc(N3CCC(O)(CN)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBRWXRYNYEDKG-VWELVXIZSA-N", "SMILES:Cc1cc(Cn2c(N3CC4(CNC4)C3)nc3c(N4CCN(CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRMMSVZEWJSADA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCRTUEXVVKVKBD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cnc3cnc(-c4ccccc4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DISRGUXSEDBDDN-HNNXBMFYSA-N", "SMILES:COCc1ccc(-c2ccc3ncc(C(N)=O)c(N[C@@H](C)C4CCOCC4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2094953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCEIIVZUGJETEO-UHFFFAOYSA-N", "SMILES:OCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCASCSIEWWUOFG-UHFFFAOYSA-J", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(OP(=O)([O-])[O-])c(-c4cc(-c5cc(=O)c6c(O)cc(OP(=O)([O-])[O-])cc6o5)ccc4OC)c3o2)cc1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACARVLMQBWILPQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cccc(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZFTBZGLNBDFP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cc(Cl)cc(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPPRGTOBASXPGZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cccc(Br)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWRTZGELWCVJT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cccc(I)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOKZJGPZJCILW-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2cc(-c3ccc(OS(N)(=O)=O)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYVDXCMDLIUJGW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-n2cc(-c3ccc(OS(N)(=O)=O)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INFSMGODCHDPEW-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2cc(-c3ccc(OS(N)(=O)=O)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZSPGSALMOXFKB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-n2cc(-c3ccc(OS(N)(=O)=O)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFAVSQIJQFPBCZ-UHFFFAOYSA-N", "SMILES:CCc1cccc(-n2cc(-c3ccc(OS(N)(=O)=O)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFLDQQIDGOHFL-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(-n2cc(-c3ccc(OS(N)(=O)=O)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWRMVCCAQQKZMZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNRQKYZVSRCNE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cc(Br)cc(Br)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNKWXAYSNZKFA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cc(I)cc(I)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNOAYCVWJCSLGI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3ccc(F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHSSXTHKNDNCCA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMOQOMQIWDLRZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3ccccc3C(F)(F)F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTXWQWJQOIJQD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFGNJEXNQDMABS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3ccc(C(F)(F)F)c(C(F)(F)F)c3C(F)(F)F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGLNKNYHRGRWDN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3ccc(F)c(F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWXRUDODIQKRIV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cccc(F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZANAZSZBNHAZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3ccc(F)cc3C(F)(F)F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUZBCQZFUXNPOT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXGWLFADRRFPJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBAQWSLNAGBJKQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3ccccc3OC(F)(F)F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIUMPOYUIZUFMN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cc(F)cc(F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYCKMVXYBPOPQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2cn(-c3cccc(C(F)(F)F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFGBGFMPBMEVMI-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OS(N)(=O)=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBZROOTFSFIMF-JVIXZCSZSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCCCn4cc([N+](=O)[O-])nc4Cl)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGTHJSXJVURUOE-UHFFFAOYSA-N", "SMILES:CCCNC(=O)C1(c2ccc(-c3cccnc3)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTZJEHXCLRWIL-UHFFFAOYSA-N", "SMILES:CCCNC(=O)C1(c2ccc(-c3ccc(C)nc3)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMIATRVKSDHSKW-UHFFFAOYSA-N", "SMILES:CCCNC(=O)C1(c2ccc(-c3ccc(C4CC4)nc3)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFKLGMRXGXACFK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWKVSDUOMVCDV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3ccc(C4CC4)nc3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLZREUDOSHKGMT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(c2ccc(-n3cnc(C4CC4)cc3=O)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDEJKBAOMBWVMS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3nc(C4CC4)no3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBXAYRHDZBOZCA-UHFFFAOYSA-N", "SMILES:Cc1cc(C2CC2)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXIIRKBYIBESDE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTZHBUHZJXHRMG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3cnc(C(F)(F)F)cc3CO)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMFNZRLSVZUJB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3cnc(C(F)(F)F)cc3CO)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZERBBHQRWKZER-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3cnc(C(F)(F)F)cc3CO)cc2)CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJRFPZBMMQAPU-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNKJPLSSXSINE-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGKIXQDIFPZKAK-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2nccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGGCXHEQLCYDP-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVQQJSUKMFZAGN-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2nn(CCNC(=O)OC(C)(C)C)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYAMKHUARPRVPU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccc5cn[nH]c5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWHPRHMRHCBMY-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFKYYCJKBBWHDM-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2c(ccn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMOISVLNIUKHQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2c(c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKWCYHAKXWZDMA-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2c(c1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRVQQCEOUUNIO-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZMZAYBFPTNFZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc5cn[nH]c5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWCMFDAPJBYAOZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5cn[nH]c5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMVLPZUMRAFGEN-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADQNIKKVAEJHQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2c(C)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGGMZAXEALTIT-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQIKUMYNSRASMV-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc(C)c(Nc4ccc5cn[nH]c5c4)n3)cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQOIBJOKXSDEB-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BROXUXZMHQXSGO-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIBYRJLRSLPQGP-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nc1Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPIJYXJOPYOBMH-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc(C)c(Nc4ccc5cn[nH]c5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFOLIEMAGXRGHA-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nc1Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBDTZNPSUWWJD-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)nc1Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDLHMWDJSUJDBH-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCS(=O)(=O)CC3)cc2)nc1Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCJOJHKDUXVEF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(C)c(Nc2ccc3cn[nH]c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTZTNPHNQXFTQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc(C)c(Nc4ccc5cn[nH]c5c4)n3)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHZNPBYKXJANSV-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C)c(Nc2ccc3cn[nH]c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYVOINWLCLXNA-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCC(F)(F)CC3)cc2)nc1Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECGOWQXESMVBI-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCNCC3)cc2)nc1Nc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1358284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBESASFHIWDSCJ-WCWDXBQESA-N", "SMILES:CCCCCCCCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPLKXYXNJMMCI-WUKNDPDISA-N", "SMILES:CCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMEGIBNGSXIGSV-CMDGGOBGSA-N", "SMILES:CCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYDWVWDAVPNNP-ZHACJKMWSA-N", "SMILES:CCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEOVWOYAVKZVNZ-OUKQBFOZSA-N", "SMILES:CCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYOLTUMKGMSVMI-CCEZHUSRSA-N", "SMILES:CCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUPJCBTVUSVPIG-FOCLMDBBSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1806598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVXBFBAVQYGRD-ISLYRVAYSA-N", "SMILES:CCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVEDVSYBYUPERP-VHEBQXMUSA-N", "SMILES:CCCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGAXFAULJKXRND-QZQOTICOSA-N", "SMILES:CCCCCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUMTWVNPWBBDBY-GHVJWSGMSA-N", "SMILES:CCCCCCCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXNAHGNJVBWFQ-OCOZRVBESA-N", "SMILES:CCCCCCCCCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRFUWKDXXVJHF-CYYJNZCTSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLPDHGOODMBBGN-VOTSOKGWSA-N", "SMILES:O=C(O)/C=C/C(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5174804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUGQDCMTOCRKLG-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXZHZKWGZRKCJO-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWWASBWXIMPLAI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTBGWWJTWUHIO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGURWGPNOBGQKK-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGNPYPJXBPJPFE-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAMFRSSXKNIFLW-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOCC1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYXWKIBPHYYZHO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJLMRXWYSCPNW-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2[nH]1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGJFUKCFGXVOOA-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWYXQOZGKLVRS-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTWSVCCHOKGRX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(OC(F)(F)F)c1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYISOPTUVLGOO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXKFIKNZPBXPT-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVQYERDUACENEO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQCALXVECZSTC-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(F)c1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMQBNZUYFOPIAV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(-c2ccccc2)cc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYXPSMVJXCUXHW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFURMSAITSZFAY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CCN2CCOCC2)cc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDRSMZYTTWVFA-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cccc(Cl)c1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMBVDIDEITXSR-DPZBCOQUSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(F)cc3NC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTLSEZMQBTHJC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(F)cc3)n2)cn1"]}
{"name": "26S proteasome non-ATPase regulatory subunit 11", "xref": ["CHEMBL.TARGET:CHEMBL5169096"], "id": "UniProtKB:F1LMZ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMJXAXYDOMQMRB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(F)cc3NC(=O)CCCCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYXQXEGTLNBKEC-DKQRTKIFSA-N", "SMILES:C=CC(=O)N1CCC[C@H](n2c(Nc3ccccc3)nc3cnc(Nc4ccc(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(-c7scnc7C)cc6)C(C)(C)C)CC5)cc4)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGLGNKLQRKIVSS-UHFFFAOYSA-N", "SMILES:Fc1cccc(F)c1CC1(Cn2cncn2)COC(c2ccc(-c3ccsc3)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUTLPHKRYHSHHV-UHFFFAOYSA-N", "SMILES:Fc1cccc(F)c1CC1(Cn2ccnc2)COC(c2ccc(-c3ccsc3)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHWYHULPDRZPBP-GFOWMXPYSA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)NC2CCCCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHWYHULPDRZPBP-ANYOKISRSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)NC2CCCCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSNDONHBJYYRL-HXUWFJFHSA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSNDONHBJYYRL-FQEVSTJZSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYAUVPWXCEUDN-LJQANCHMSA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYAUVPWXCEUDN-IBGZPJMESA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCKGAEKQACBALR-HSZRJFAPSA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCKGAEKQACBALR-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVHTWRPQYTXGOD-JOCHJYFZSA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVHTWRPQYTXGOD-QFIPXVFZSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVFMIWUEXKUQEY-XMMPIXPASA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVFMIWUEXKUQEY-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPCMTLXSDIBBNI-HSZRJFAPSA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPCMTLXSDIBBNI-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUYDHQHPITKBU-HSZRJFAPSA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccc(F)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUYDHQHPITKBU-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccc(F)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUWZRSPJCQRMB-HSZRJFAPSA-N", "SMILES:CC1(C)CN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)Nc2ccc(F)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUWZRSPJCQRMB-QHCPKHFHSA-N", "SMILES:CC1(C)CN(C(=O)[C@H](Cc2ccc(C#N)cc2)NC(=O)Nc2ccc(F)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNMTQVKKFREAN-JOCHJYFZSA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNMTQVKKFREAN-QFIPXVFZSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAJUIGSHSAQMZ-JOCHJYFZSA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGAJUIGSHSAQMZ-QFIPXVFZSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBPDOLGPLMMJIB-OAQYLSRUSA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBPDOLGPLMMJIB-NRFANRHFSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCSWBQXDVRHDI-XMMPIXPASA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCSWBQXDVRHDI-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPWDJIMPQTSHD-VWLOTQADSA-N", "SMILES:CC1(C)CN(C(=O)[C@H](Cc2ccc(C#N)cc2)NC(=O)Nc2ccc(F)cc2)Cc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQABMMOUZFMXEW-IBGZPJMESA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCC(F)(F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATUXFPJRTSKHFB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTWFBKFNVCFROY-UHFFFAOYSA-N", "SMILES:O=C(CCCl)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVCZETDQXQIZFL-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3ccc4c(c3)CCC4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGLCDYKSOYPSK-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3cccc4c3CCCC4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMNAQQTDNPMDP-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3cccc4ccccc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLFBJRBXSTGHW-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3ccc4ncccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFVXEKMIQPNTFL-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3ccc4[nH]ncc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERWMQWGUSIWNF-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMRINUEXJMHAJ-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3ccc4cc[nH]c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRASJNYPMAPSOA-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3cccc4cc[nH]c34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXQZBIKPUHINB-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(Nc3ncnc4ccc(N)cc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITWUQOWYXVPAMI-UHFFFAOYSA-N", "SMILES:CCCn1ccc2cc(Nc3ncnc4ccc(N)cc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEJJZVYOHWFLK-UHFFFAOYSA-N", "SMILES:C=CCn1ccc2cc(Nc3ncnc4ccc(N)cc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYXMKTQSYLOAAG-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3ccc4c(ccn4Cc4cccc(F)c4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKDXSTPVDAAJGY-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3ccc4c(ccn4Cc4cccc(Cl)c4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNAXUDDDHXNMQX-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(Nc3ncnc4ccc(N)cc34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNGCEWRXFPWQJY-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEPDLDKXAUOXBS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPHEZJBHOETQP-UHFFFAOYSA-N", "SMILES:O=C(CCCCl)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFVSHJUGHKLMO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncnc(Nc3ccc4c(ccn4Cc4cccc(F)c4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITXURUHKFUIOCP-UHFFFAOYSA-N", "SMILES:O=C(CCCCl)Nc1ccc2ncnc(Nc3ccc4c(ccn4Cc4cccc(F)c4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGZGKSHJUJYNQM-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](N)COc1ccc(-c2ccnc(N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVXZAURRVXUXBR-QFIPXVFZSA-N", "SMILES:CC(C)C[C@H](N)COc1ccc(-c2ccnc(NCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUDYGKBBUSAQU-KRWDZBQOSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTMZSVARGJGKLE-SFHVURJKSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C#N)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKKCUFUUVDZUCP-KRWDZBQOSA-N", "SMILES:COc1cc(-c2ccnc(NC(C)=O)c2)ccc1OC[C@@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNHJOVVASIHIL-INIZCTEOSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAHYYLXFCBPDDW-INIZCTEOSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSZZLVNYBNWVDL-INIZCTEOSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(OC(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZGBIRGBWRCWKF-SFHVURJKSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPKIBVXNSRPEDN-INIZCTEOSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKUJIVTZSHCXRK-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1cc(-c2cc(F)c(OC[C@@H](N)CC(C)C)c(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYXJLVVKIBEGES-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1cc(-c2cc(F)c(OC[C@@H](N)CC(C)C)c(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBBDWLXBHSCCC-AWEZNQCLSA-N", "SMILES:CC(=O)Nc1cc(-c2cc(F)c(OC[C@@H](N)CC(C)C)cc2F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBHRJKOAIBIWDU-HNNXBMFYSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBWZAGCBGPXST-KRWDZBQOSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(-c3ccno3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRJSMTAUWDJJIH-FQEVSTJZSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYMVFHAFTDDWKW-NRFANRHFSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C#N)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGRDQPIAALDLEG-NRFANRHFSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITANMUHQSHOARC-FQEVSTJZSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(OC(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRSIRCARZOBGMU-FQEVSTJZSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKEUFTAZOLHEAI-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJCAJZWKRIPDY-NRFANRHFSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C#N)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQJMZONPDKEJC-NRFANRHFSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPXQAGUUXSYBV-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(OC(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQKMAYGHCGBRP-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPYMRFGAAXFXIK-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMDTZHAXIIOSY-NRFANRHFSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHPMMDUVJJYLS-NRFANRHFSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(CO)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFKGXEHYQJXRJE-QHCPKHFHSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C3CC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYHQHOSMHERPO-QFIPXVFZSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)c2C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWEXPXGCXPEXGZ-IBGZPJMESA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)nc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTUIKFDUYMWTI-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMVCLXEHITTAR-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(OC)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBIRBUHIXXLDF-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C#N)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFMMJDPMFCVRCB-IBGZPJMESA-N", "SMILES:COC(=O)Nc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLBGGMXGXAZKZ-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)cc2C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBLYMQXQWZRAQ-IBGZPJMESA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HINOQCZIDBNXEI-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVSNSFQQKSZZMY-IBGZPJMESA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(Cl)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNVPNHWFJFRLZ-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFXGOGALEGXWEL-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2cc(C)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYLJLYWRGYOUPG-IBGZPJMESA-N", "SMILES:COC(=O)Nc1cc(-c2cc(Cl)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPICVZJBBZPDDD-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2cc(OC)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSQCFFXUWSLHY-IBGZPJMESA-N", "SMILES:COC(=O)Nc1cc(-c2cc(C(F)(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLSHIDDPSARBG-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1cc(-c2cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHFEDCEWSFTAE-IBGZPJMESA-N", "SMILES:Cc1cc(-c2cc(C)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWZJJCICBZFART-SFHVURJKSA-N", "SMILES:Cc1cc(-c2cc(Cl)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXRJMGXKRWHQME-SFHVURJKSA-N", "SMILES:Cc1cc(-c2cc(C(F)(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBMAROJKLHAMI-IBGZPJMESA-N", "SMILES:Cc1cc(-c2cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPJIUARPKBLQQ-SFHVURJKSA-N", "SMILES:CC(C)C[C@](C)(N)COc1cnc(-c2ccnc(Cl)c2)cc1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLODJNVFPYXMCX-KRWDZBQOSA-N", "SMILES:CC(C)C[C@](C)(N)COc1cnc(-c2ccnc(Cl)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPORTDNBOGDIG-IBGZPJMESA-N", "SMILES:Cc1cc(-c2ccnc(C(F)F)c2)ncc1OC[C@@](C)(N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVHRHDHQHUAOQI-IBGZPJMESA-N", "SMILES:CC(C)C[C@](C)(N)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEWDGPNKOHRMCP-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1cc(-c2cc(F)c(OC[C@@H](N)CC(C)C)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTHGPQKFHBBRFE-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMBLVQDGVKDJQX-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYGIFKXVGHCMIV-INIZCTEOSA-N", "SMILES:O=C(Nc1cccnc1Cl)N1CCC[C@H]1c1nc(-c2cccc(F)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTSMILRZVSNPNM-NRFANRHFSA-N", "SMILES:O=C(Nc1cccc2cnccc12)N1CCC[C@H]1c1nc(-c2cccc(F)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQSDQNHDPNNSY-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLGGGLFHUSTPOP-SFHVURJKSA-N", "SMILES:O=C(Nc1ccccc1Cl)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSXDIJYAHMWKK-SFHVURJKSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDUHUGKZMOABIP-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDOQONVUAAPEHG-SFHVURJKSA-N", "SMILES:O=C(Nc1ccccc1F)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNQCFBKGECZVEQ-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFMDVBPTQUZDD-SFHVURJKSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGQVGBWVNRPOJZ-SFHVURJKSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYJSFWMGQFUBL-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNOLKAWELVICHM-SFHVURJKSA-N", "SMILES:COc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYAXGEGPABHQEK-NRFANRHFSA-N", "SMILES:O=C(Nc1cccc2cnccc12)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCFCWHKZHQIJS-NRFANRHFSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZZPYGQQWWTCEH-IBGZPJMESA-N", "SMILES:Cc1ccc(-c2csc([C@@H]3CCCN3C(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKUWXVZRDDZZEW-KRWDZBQOSA-N", "SMILES:O=C(Nc1ccccc1Br)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXCIAIZYTAQPMD-KRWDZBQOSA-N", "SMILES:O=C(Nc1cccc(Br)c1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLIDFRPWUROSBU-KRWDZBQOSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTZDZOXYRKKYMX-KRWDZBQOSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZAFLJFYITHAB-KRWDZBQOSA-N", "SMILES:O=C(Nc1ccccc1F)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIMXNLLUTPDSFM-KRWDZBQOSA-N", "SMILES:O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBPUOWCERKYRT-KRWDZBQOSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYYCYKIEMSNYPU-KRWDZBQOSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZGXWCRRUVIBE-KRWDZBQOSA-N", "SMILES:COc1ccccc1NC(=O)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOAEUBTDOBROX-SFHVURJKSA-N", "SMILES:COc1ccc(NC(=O)N2CCC[C@H]2c2ncc(-c3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGADQVKWFAFHR-KRWDZBQOSA-N", "SMILES:COc1ccc(NC(=O)N2CCC[C@H]2c2ncc(-c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUEUEFKYNVJSPA-FQEVSTJZSA-N", "SMILES:CC(C)c1ccccc1NC(=O)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZISSZWUQQBGMU-FQEVSTJZSA-N", "SMILES:CC(C)c1cccc(NC(=O)N2CCC[C@H]2c2ncc(-c3ccccc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFSXRIIHRAKFQ-KRWDZBQOSA-N", "SMILES:O=C(Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVWSOBIBEGYSFM-INIZCTEOSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGDPMXRJRHRZPX-KRWDZBQOSA-N", "SMILES:Cc1ccc(NC(=O)N2CCC[C@H]2c2ncc(-c3ccccc3)s2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXWZAUSBJKNNDG-SFHVURJKSA-N", "SMILES:Cc1ccc(NC(=O)N2CCC[C@H]2c2ncc(-c3ccccc3)s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHOJYGYTREQMV-IBGZPJMESA-N", "SMILES:Cc1cc(C)c(NC(=O)N2CCC[C@H]2c2ncc(-c3ccccc3)s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTNEQWNDLQCGT-IBGZPJMESA-N", "SMILES:Cc1ccc(NC(=O)N2CCC[C@H]2c2ncc(-c3ccccc3)s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUXMGFFSHPGTG-IBGZPJMESA-N", "SMILES:Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2ncc(-c3ccccc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNZIIJVYFNAKIL-HNNXBMFYSA-N", "SMILES:O=C(Nc1cccnc1Cl)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFKARAEIFTSII-FQEVSTJZSA-N", "SMILES:O=C(Nc1cccc2cnccc12)N1CCC[C@H]1c1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTLWMDBGAZZNL-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLUTVXVGOIIWTN-FQEVSTJZSA-N", "SMILES:Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKTQOXSUQGKKLD-NRFANRHFSA-N", "SMILES:O=C(Nc1cccc2cnccc12)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJCPLGPYIDVDH-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYRUVPZOTAYTHU-SFHVURJKSA-N", "SMILES:O=C(Nc1ccccc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCUGHZLTXSJFZ-SFHVURJKSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFGDYCAKPWWQJP-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSLOFJSJAQUAAF-SFHVURJKSA-N", "SMILES:O=C(Nc1ccccc1F)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWJRJMENPSION-SFHVURJKSA-N", "SMILES:O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFNPVCZPXAUMJZ-SFHVURJKSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZTHFXXDKFANHC-SFHVURJKSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHCZLAWIPAKGJL-IBGZPJMESA-N", "SMILES:COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGGJQHHSNYFNY-NRFANRHFSA-N", "SMILES:CC(C)c1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTBTZYINHOHKS-KRWDZBQOSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWCIZDDLNDWAG-FQEVSTJZSA-N", "SMILES:Cc1cc(C)c(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)cs2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUOPDUKHTNILTG-FQEVSTJZSA-N", "SMILES:Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)cs2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWPQDCLGLHJPSX-INIZCTEOSA-N", "SMILES:O=C(Nc1cccnc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALQPHIHQBWITF-NRFANRHFSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPLMNKLJHKRJP-CYBMUJFWSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VISCPFTZJFACFT-CYBMUJFWSA-N", "SMILES:CCC(=O)Nc1ccccc1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVYREESQZZUSLX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1n[nH]c2ccc(OC(C)c3c(Cl)ccc(F)c3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIIJEKCKPNCOAC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1n[nH]c2ccc(OC(CC)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXYZLVEXOTMLW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1n[nH]c2ccc(OCc3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYZITDLWCRGOV-CHWSQXEVSA-N", "SMILES:C=CC(=O)N1CC[C@@H](Nc2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSKEGHWGHQXBU-LLVKDONJSA-N", "SMILES:C=CC(=O)Nc1cn(C)nc1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIBMUWUZKRLPOM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cl)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRAIMWRJSFRQD-GFCCVEGCSA-N", "SMILES:C=CC(=O)Nc1cccc(Cl)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNOKTFCAKLWNGB-GFCCVEGCSA-N", "SMILES:C=CC(=O)Nc1cccc(F)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZSUVLBJSWOXIX-CQSZACIVSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDICIZXQDTXGA-CYBMUJFWSA-N", "SMILES:C=CC(=O)Nc1cccc(OC)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIDRTMBYXKHLKS-QGZVFWFLSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISXOAFKPXZKJSN-HXUWFJFHSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFXFIWVYLQMKII-MRXNPFEDSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCOCC2)ccc1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAKJZZLQCBSLW-MRXNPFEDSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(C)CC2)cc(F)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXPNJQWNDFZGFG-OAHLLOKOSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCOCC2)cc(F)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSQXUXMIWSHGRV-LJQANCHMSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCC(N3CCOCC3)CC2)cc(F)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDXOUGXVJORORH-QGZVFWFLSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCC(N(C)C)CC2)cc(F)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPMKRNRNTWESI-QGZVFWFLSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(C3COC3)CC2)cc(F)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDRUPVNPNTOJR-HXUWFJFHSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCC(N3CCN(C)CC3)CC2)cc(F)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWSVSRSYWXWBNR-OAHLLOKOSA-N", "SMILES:C=CC(=O)Nc1cc(N(C)CCOC)cc(F)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQLDLOYZOBLDKU-QGZVFWFLSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(S(C)(=O)=O)CC2)cc(F)c1Nc1c[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLDGFXTOCUENF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1n[nH]c2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTPMKFXZAUAECV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)CCNc2c3c(nc4cc(Cl)ccc24)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSNDBGHTMCHRQB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)CCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCWAVZISUIFMQY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)CCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHLBLQNXMWQOL-XZOQPEGZSA-N", "SMILES:CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCCCC(=O)N4CCC(NC(=O)Nc5ccc(OC(F)(F)F)cc5)CC4)c3[C@H](C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHLBLQNXMWQOL-PKTZIBPZSA-N", "SMILES:CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCC(=O)N4CCC(NC(=O)Nc5ccc(OC(F)(F)F)cc5)CC4)c3[C@@H](C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1668934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKAZEQUWPXSOS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2007996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKCBMHDZLYYTMI-WDEREUQCSA-N", "SMILES:CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@H](C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2021616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKCBMHDZLYYTMI-MNOVXSKESA-N", "SMILES:CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@@H](C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPHLYPXMRPENW-UHFFFAOYSA-N", "SMILES:CCc1cccc(C(=O)Nc2cc(C)nn2-c2nc(CC)cc(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMYBQBANWFHYSM-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc(C)ccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMIPRHNWOMKZFW-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJBPUSBWLFCBD-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBGUFVIGTFHVEL-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLCAVPVYQPOMAG-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZQSHAHQTLLZFD-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCDKIMMFKITPR-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZZBYVMATXFBJ-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXFGWUICDCDPNQ-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVSHLIABPDKFC-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(Br)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFWMULAIBSQOR-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFYSUAUZBQCOJ-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDQFYXLIEUAYIS-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDGGMWXQJWEPOJ-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZNZDUPEBXJFH-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZWOTFGQDOTHB-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(C)nn2-c2nc(CC)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJMPCKYYVBJPGH-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C(C)C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEZWYUFAFIPNFZ-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C3CC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSRYPOQXIBGNV-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C(C)(C)C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2098167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBUQSHOFMKLNLN-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C(C)(C)C)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXMYVKWQCWGHAI-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(-c3ccccc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPZMJIYSFXPVDH-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVWOEPIMVVEQLA-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRZKNRHRBIWCCU-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBNMHXGWKPIKB-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(SC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPDZTWISYNECL-UHFFFAOYSA-N", "SMILES:CCOc1cccc(C(=O)Nc2cc(C)nn2-c2nc(CC)cc(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABLXDHBWUCANGS-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(OCOC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXEWAPDCRPSDCH-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(N(C)C)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHIXPRVAPKMNT-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)Cc2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAKFCJWHUXSTSJ-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)Cc2cccc(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYEOWQDPJKUTTR-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C)c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCAOFWQZZTGRS-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C)c(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFYFHIYCXVTDHJ-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc(C)cc(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOPCMBYTSRMTG-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCEFHUFZTXZUJM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(F)(F)F)cc1-c1cc2c(N3CC4CCC(C3)N4)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFBNCYTSQKGSL-KKUQBAQOSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2COCCN2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBUMESQDCGPRDW-CCDWMCETSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1COCCN1C)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHGBKHYWKCUBK-CCDWMCETSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1COCCN1C)S(=O)(=O)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDDZJCCFKPCAZ-CCDWMCETSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2COCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSIGJISDQQMQLD-KMDXXIMOSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1COCCN1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYXTIBFRVQBTC-KMDXXIMOSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1COCCN1)S(=O)(=O)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTPJYWHGNANJKO-KMDXXIMOSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1COCCN1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDSIHDUCJGWYET-CCDWMCETSA-N", "SMILES:CNc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2COCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLDCEFJUQCJITH-CCDWMCETSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1COCCN1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSOQZNLSHRCXAM-ISJGIBHGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CNCCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAJJQUXVBXUGAR-RBZQAINGSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CNCCO1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSHSLBYRBHVPX-RBZQAINGSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CNCCO1)S(=O)(=O)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZHBEMXSVZXIU-RBZQAINGSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CNCCO1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZQTUIIPYVHSY-ISJGIBHGSA-N", "SMILES:CNc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CNCCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWAJDOFPQIIGP-FXVJXKIMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC[C@H]2CN(C)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICMCJHPQPBTLA-DMTNHVFBSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@H]1CN(C)CCO1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGLUDPWUVFHHPB-DMTNHVFBSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@H]1CN(C)CCO1)S(=O)(=O)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDYWICZRSKHJY-DMTNHVFBSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC[C@H]2CNCCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIRXQLVLDUPIE-PZUNEJSGSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@H]1CNCCO1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHGWSUDCADZQO-PZUNEJSGSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@H]1CNCCO1)S(=O)(=O)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDNZOHXFUOXBT-PZUNEJSGSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@H]1CNCCO1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLAJDPKPJKUFGG-LOSJGSFVSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOPORBPFODUFC-BJKOFHAPSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWONAALFPNSZOI-IZZNHLLZSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CN2CCS(=O)(=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDLJBVVUPPLNX-LOSJGSFVSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIYUUNNABMJFJ-LOSJGSFVSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGIERIWMDXVSL-UGRKVKMPSA-B", "SMILES:CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](OC)[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])[C@H](OC)[C@H]4OC(C)=O)[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYQXBSQOPFSOKJ-DVVAFNSXSA-B", "SMILES:CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])[C@H](OC)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJYVJHFFZGDXSK-DFXGRGEESA-C", "SMILES:CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](OC)[C@H]5OS(=O)(=O)[O-])[C@H](OC)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMUOOPDDVOFPFD-KUYQJWAUSA-C", "SMILES:CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]5OS(=O)(=O)[O-])[C@H](OC)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPVRVUXJYUNEGG-JJKYIXSRSA-N", "SMILES:COc1ccc(-n2c3c/c(=N\\C(C)C)c(Nc4cccc(F)c4)cc-3nc3ccccc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYQGBMERPFABP-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCNC(=O)CCCCNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nn1-c1ccc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPUQCHODVKLTMP-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCNC(=O)CCCCCNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nn1-c1ccc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZUHYNOPZMOKBL-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCNC(=O)CCCCCCCNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nn1-c1ccc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHLKXRVRLAEGAS-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(CNC(=O)CCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1-c1ccc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAFTFKNDYWZEF-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(CNC(=O)CCCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1-c1ccc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXOOPNYJFVRNCT-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(CNC(=O)CCCCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1-c1ccc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNAWWNHIIPKTCJ-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(CNC(=O)CCCCCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1-c1ccc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJLYJIABKSUTCI-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(CNC(=O)CCCCCCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1-c1ccc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKROASJOOUVQF-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCNC(=O)CCCCNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nn1-c1cc2c(nn1)-c1ccccc1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYIHFOWRMFUGU-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCNC(=O)CCCCCNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nn1-c1cc2c(nn1)-c1ccccc1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQEQULINULDUTM-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCNC(=O)CCCCCCNc2cccc3c2CN(C2CCC(=O)NC2=O)C3)nn1-c1cc2c(nn1)-c1ccccc1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFCCDMNTBZKLBL-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCNC(=O)CCCCCCCNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nn1-c1cc2c(nn1)-c1ccccc1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRBWOQPOKMXZHT-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(CNC(=O)CCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1-c1cc2c(nn1)-c1ccccc1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNBVZZIMBCVKW-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(CNC(=O)CCCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1-c1cc2c(nn1)-c1ccccc1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDHWSJMSRBGBMJ-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(CNC(=O)CCCCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1-c1cc2c(nn1)-c1ccccc1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDICVMYLJQLXHY-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(CNC(=O)CCCCCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1-c1cc2c(nn1)-c1ccccc1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYKQMJVKOVFBPH-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(CNC(=O)CCCCCCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1-c1cc2c(nn1)-c1ccccc1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEOLEZUCXVAHPP-UHFFFAOYSA-N", "SMILES:C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1NC(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWTHYRYJQYKYDQ-GSDHBNRESA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CNC(=O)CCl)NC(=O)CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKWRDOGWOQDNT-DTXPUJKBSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NC(=O)CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HALJYBAEKMDDOO-CHQNGUEUSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)N2CCCC2)NC(=O)[C@H](CNC(=O)CCl)NC(=O)CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBIKKZYRBLOMD-CPCREDONSA-N", "SMILES:COC(=O)C1CCN(C(=O)C[C@H](NC(=O)[C@H](CNC(=O)CCl)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCOMBGZAMGFKX-BQFSGGQZSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)NCC2CCCO2)NC(=O)[C@H](CNC(=O)CCl)NC(=O)CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUQUCBDWFTVEW-AFEGWXKPSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NC(=O)CCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWNALHDKANFAF-ZDCRTTOTSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYZDKVGGMZTKJW-YCVJPRETSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NC(=O)c2cc(C)on2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNAMRYCKBXDEC-CPCREDONSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NS(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHNRQYQJWZHUTJ-QKDODKLFSA-N", "SMILES:CC(=O)N[C@@H](CNC(=O)CCl)C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNPMCWXVUVVSZ-KCHLEUMXSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTUBIIRNEJCQDC-GOTSBHOMSA-N", "SMILES:Cc1ccc(CNC(=O)CNC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@H](CNC(=O)CCl)NC(=O)CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZLFVPELLWCSD-DQEYMECFSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTRZQUAAIDRQK-ZEQRLZLVSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUWRUAHRUIJEF-SVBPBHIXSA-N", "SMILES:CC(C)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWKOINZQAITAY-ZEQRLZLVSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFJDWHWMZSDSZ-DQEYMECFSA-N", "SMILES:COc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIIUKFZGSPYJHR-DQEYMECFSA-N", "SMILES:Cn1ncc2cc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUOJOMJMKRPWTI-NSOVKSMOSA-N", "SMILES:Cc1[nH]c2ccc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOLRYZWHEBXSHS-NSOVKSMOSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XURXHVYEUGEYSW-ZEQRLZLVSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXOQRUZLIUMBLG-NSOVKSMOSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTKZGXDDBFITJU-DQEYMECFSA-N", "SMILES:COC(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURIAIPVEFNTNH-NSOVKSMOSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWJKGEZYYPGMRT-SVBPBHIXSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGMWTPPDOLWFON-DQEYMECFSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZLFVPELLWCSD-LOSJGSFVSA-N", "SMILES:Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECKUVYKGWSUNW-DQEYMECFSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2F)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIJOFNYTUWWJTJ-DQEYMECFSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2cccc(F)c2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBIFJNMIVWVVAP-VMPREFPWSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DULFUYOOHIKFTR-PMACEKPBSA-N", "SMILES:COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)C(=O)NCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWKJSVCZZZFWCH-PMACEKPBSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)C(=O)NCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBZJRTWECIUZCR-SFHVURJKSA-N", "SMILES:Cc1ccc(CNC(=O)CNC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTBDEHSOCWSHD-UIOOFZCWSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)C(=O)NCc2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTVQKJYVZYJRC-SVBPBHIXSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFVHQMIWKKSQB-KGZCNRADSA-N", "SMILES:COc1ccc(/C=C(\\C#N)C(=O)NCCC(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVHQRSUVQDQTHG-WMPCAXALSA-N", "SMILES:Cc1ccc(/C=C(\\C#N)C(=O)NCCC(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHWPNLGVROUOFD-BNWMUQOKSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)/C(C#N)=C/C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMYFFBSCXZDPBK-KWEZIPGFSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVQYWZTYAZHMDX-BNWMUQOKSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)/C(C#N)=C/C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTKSMYDOQHZUPK-CNUXCAPHSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)/C(C#N)=C/c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPSBJIOOYVKLM-MKFFEQFDSA-N", "SMILES:Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCNC(=O)/C(C#N)=C/c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUYNBCHRXOFGOX-OLTPLRMFSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBBUBHOHFHQCSW-ANWAPUHWSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZXRRFKYQZMKHS-ACHIHNKUSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZZHZONPCRDMT-LQJZCPKCSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CC#N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXCAEPKJKCTNQF-VMPREFPWSA-N", "SMILES:CCC(=O)NCCC(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQAVPPWWLLVGFK-PALRNTPVSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEGCTFECGIFEK-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2C(F)(F)F)C(c2ccc3ccccc3n2)=C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAWISSQZPGUGIC-SDNWHVSQSA-N", "SMILES:O=C(O)C(=O)/C(=C/c1ccccc1C(F)(F)F)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLHXHOGVCAPFR-UHFFFAOYSA-N", "SMILES:Cc1onc(C(=O)O)c1-c1cccc(-c2cc(Cl)c(O)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYXVUGESXGAMG-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4ccccc4F)C3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSWNEOWVTGJWBS-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3c(C)nc(NCC4CC4)nc3C3(CCN(Cc4ccccc4F)C3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMQILTXHLHBFSK-UHFFFAOYSA-N", "SMILES:Cc1nc(NCC2CC2)nc2c1COCC21CCN(Cc2ccccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNQCEIDJPQDIQB-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4cscn4)C3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKSIXXEVZOBOV-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4ccon4)C3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHTXDDAFPQHQM-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4ccsc4)C3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUPCYNWPAQPDDQ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4cc[nH]c4)C3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHUSCSYQHQLDW-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4cc[nH]n4)C3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSSWUMWXDAMGX-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4cn[nH]c4)C3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVDDYSMLCYSBC-UHFFFAOYSA-N", "SMILES:COc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4cnc(N)s4)C3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNXZRRRHZNNGX-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc3cnc(NCC4CC4)nc3c(-c3ccc(Br)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCDDKEHJUHPPAE-UHFFFAOYSA-N", "SMILES:CCCNc1ncc2cn(-c3ccc(OC)cc3)c(=O)c(-c3ccc(Br)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGBGNIVGTFPDSQ-UHFFFAOYSA-N", "SMILES:CCNc1ncc2cn(-c3ccc(OC)cc3)c(=O)c(-c3ccc(Br)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXQQFITXAUNPR-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc3cnc(NCC(F)(F)F)nc3c(-c3ccc(Br)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVDJUQDMQKLLKG-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc3cnc(NCCC(F)(F)F)nc3c(-c3ccc(Br)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTMVDNZUGEXOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc3cnc(N(C)CC(F)(F)F)nc3c(-c3ccc(Br)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJSKGSMMZWBCLB-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc3cnc(NCC(F)(F)F)nc3c(-c3ccc(Cl)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEYUVJFLGRWFDO-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(Cl)cc2)c2nc(NCC(F)(F)F)ncc2cn1-c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNQVDTUIUQLNP-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(Br)cc2)c2nc(NCC(F)(F)F)ncc2cn1-c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIEGMNQMZGWIOB-UHFFFAOYSA-N", "SMILES:Cn1cnc2ccc(-n3cc4cnc(NCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJVNDJFCCCBEO-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-n3cc4cnc(NCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)cc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCYDSDPIJJBSI-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3cc4cnc(NCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSWZPBKBSZPKZ-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTGLPNPSPRGMQ-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3cc4ccc(CCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNCXJWJZEWVCBN-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3cc4ccc(OCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXKHLPFXZPAEBI-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3cc4ccc(OCC(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBFJPJFOZFSJW-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIPDZBHPUDOTG-UHFFFAOYSA-N", "SMILES:CCNc1ccc2cn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGINGQJVJLWKOC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1noc(-c2cc(-c3ccc(C)cc3)c(O)cc2O)c1-c1ccc(CN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHRIMGSVCKPAJI-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1noc(-c2cc(-c3ccc(C)cc3)c(O)cc2O)c1-c1ccc(CN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKMGZQHSJXXMR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1noc(-c2cc(-c3ccc(C)cc3)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDZVCJITJNDSEF-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1noc(-c2cc(-c3ccc(C)cc3)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQZWZPYKQXOHMI-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)Cc1c[nH]c2cc(C#N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGVJFVZEGDFHV-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)Cc1c[nH]c2cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIOIFUEAOFBFO-UHFFFAOYSA-N", "SMILES:CCCCN(CCCc1c[nH]c2ccc(F)cc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYNJVJJCTZAIX-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNUFMBOGIVSUAE-UHFFFAOYSA-N", "SMILES:CCCCN(CCCc1cc2ccccc2[nH]1)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKCXYMLJIFEDS-UHFFFAOYSA-N", "SMILES:CCCCN(CCCc1ccc2ccccc2c1)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKXZSGXOKOWJV-UHFFFAOYSA-N", "SMILES:CCCCN(CCCc1cccc2ccccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTAUTSQXMIWOP-UHFFFAOYSA-N", "SMILES:CN(CCc1c[nH]c2ccccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCPFUBIWOUIAIG-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLKJYPXPCOVIKY-UHFFFAOYSA-N", "SMILES:CCCCN(CCCc1c[nH]c2ccccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFMUWPBTDXKKG-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1c[nH]c2ccccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXCUTVDDQBWCJ-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQOSPNBNYUNIK-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1c(-c2nnn[nH]2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZHPZAUDIOJOSE-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC1CCNc2ccccc21)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMGSQSXLSAENK-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)Cc1c[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAUOWXRWVHDOGJ-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)CCC1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKCCFJLKYWLUFQ-UHFFFAOYSA-N", "SMILES:c1ccc2c(CCNCCC3CCCCCC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBYKMYNUVIYRGE-UHFFFAOYSA-N", "SMILES:CCCC[N+]([O-])(CCc1c[nH]c2ccccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPRVECQXVOSDK-UHFFFAOYSA-M", "SMILES:CCCC[N+](C)(CCCc1c[nH]c2ccccc12)CCC1CCCCCC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHJEPJJARZDKU-UHFFFAOYSA-N", "SMILES:CN(C)C1CCC(CCN(CCCc2c[nH]c3ccccc23)CCC2CCCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFUOKWOGRXHRN-UHFFFAOYSA-N", "SMILES:CCCCN(CCCc1c[nH]c2ccccc12)CCC1CCC(N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVFVBXROXFFKZ-UHFFFAOYSA-N", "SMILES:c1ccc2c(CCCN(CCC3CCCCCC3)CCC3CCCCC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDBMHTIQDCPJAS-UKTHLTGXSA-N", "SMILES:CN(C)c1ccc(/C=C/CN(CCCc2c[nH]c3ccccc23)CCC2CCCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJDHJUINRQMJDU-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCC2CCN(CCCc1c[nH]c2ccccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOBDUWPNZYVFT-UHFFFAOYSA-N", "SMILES:CCCCN(CCCc1c[nH]c2ccccc12)CCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATYAJEFBBFWWBL-UHFFFAOYSA-N", "SMILES:CN(CCC1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRDTRMMEIYUQN-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)Cc1cc(O)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFKHDWWVYBTYBD-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)Cc1cc(OC(=O)N(C)C)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPKITNCURKBAEB-UHFFFAOYSA-N", "SMILES:CCCCN(CCOc1cccc2c(OC(=O)N(C)C)cccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVORUKDDDQQCTE-UHFFFAOYSA-N", "SMILES:CCCCN(CCOc1ccc2ccc(OC(=O)N(C)C)cc2c1)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJILKOOXLPILKO-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)Cc1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWMJIFTWNPRQV-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)Cc1cc2ccccc2cc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPQCQCBRYIFSRA-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)Cc1ccc(OC(=O)N(C)C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJMGSKVMXSUXBO-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1c[nH]c2ccc(O)cc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCWDFTWDXGSMGM-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1c[nH]c2ccc(OC(=O)N(C)C)cc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRICXPIAKQTZMM-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1c[nH]c2cc(O)ccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNYFOFJVAKFTIO-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1c[nH]c2cc(OC(=O)N(C)C)ccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHGFFIEJDIPAT-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1c[nH]c2c(O)cccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOFUFOKIMRNON-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1c[nH]c2c(OC(=O)C(C)C)cccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZLQSKALJZPJKI-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1c(-c2ccccc2O)[nH]c2ccccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWNYUUQDHGAUON-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1c(-c2ccccc2OC(=O)N(C)C)[nH]c2ccccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJMTTIOPFFFNG-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1cn(C(=O)N(C)C)c2ccccc12)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDDBFPXJGMVSMN-UHFFFAOYSA-N", "SMILES:CCCCN(CCC1CCCCCC1)Cc1cn(OC(=O)N(C)C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHBUJVXUSKTKS-DEOSSOPVSA-N", "SMILES:CCCCN(C)[C@@H](Cc1c[nH]c2ccccc12)CN(C)CCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEEBEGVGFMFKQC-QFIPXVFZSA-N", "SMILES:CCCCN[C@H](CNCCC1CCCCCC1)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIJZUKMSKJFPT-QHCPKHFHSA-N", "SMILES:CCCCN1CN(CCC2CCCCCC2)C[C@@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSBOVJKKJVDOBL-NRFANRHFSA-N", "SMILES:CN1CCN(CCC2CCCCCC2)C[C@@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCIUQNDTDPGOD-VWLOTQADSA-N", "SMILES:CCCCN1CCN(CCCC2CCCCCC2)C[C@@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRUMZCAPLOLQM-ZCCKAHTMSA-N", "SMILES:CC(C)N(C[C@H]1C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)[C@H]1C[C@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRUMZCAPLOLQM-GHABHRFZSA-N", "SMILES:CC(C)N(C[C@@H]1C[C@H](c2ccc3c(N)ncnn23)[C@@H](O)[C@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRUMZCAPLOLQM-JOMNVXSOSA-N", "SMILES:CC(C)N(C[C@H]1C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFGUNGMQLCSOBC-YSFUMNCJSA-N", "SMILES:CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBDOFNYDJAIMPE-UWGQAIRJSA-N", "SMILES:CN(CCCNC(=O)Nc1ccccc1)C[C@H]1C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHHNYUFDIHEZRY-NNNLEQTPSA-N", "SMILES:CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDUCKXYKQYYEA-IQWFGDOHSA-N", "SMILES:CC(C)N(CCCNC(=O)Nc1ccccc1)C[C@H]1C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOUFWPWYUJMRCS-NSOPBCBCSA-N", "SMILES:CN(CCCNC(=O)Nc1ccccc1)C[C@H]1C[C@@](O)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBDOFNYDJAIMPE-ZHFAOOELSA-N", "SMILES:CN(CCCNC(=O)Nc1ccccc1)C[C@H]1C[C@@H](c2ccc3c(N)ncnn23)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REOHZSZMMJCNRA-UWGQAIRJSA-N", "SMILES:CN(CCCNC(=O)Nc1ccccc1)C[C@H]1C[C@@H](c2cnn3c(N)ccnc23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414626", "category": ["biolink:ChemicalEntity"], "name": "PINOMETOSTAT", "xref": ["InChIKey:LXFOLMYKSYSZQS-LURJZOHASA-N", "SMILES:CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1"], "synonym": ["Pinometostat", "Pinometostat", "Pinometostat anhydrous", "EPZ-005676", "EPZ-5676"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5186048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWRSEMZTQFCVCQ-ZHACJKMWSA-N", "SMILES:CC(C)c1cccc2cc(/C=C/c3cccc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGJDJZDXCZGEL-VAWYXSNFSA-N", "SMILES:CCCc1cccc2cc(/C=C/c3cccc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWBPARJWRCCGY-KHPPLWFESA-N", "SMILES:CCc1cccc2cc(/C=C\\c3cccc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWBPARJWRCCGY-ZHACJKMWSA-N", "SMILES:CCc1cccc2cc(/C=C/c3cccc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZCXRALQSSFPY-KTKRTIGZSA-N", "SMILES:Cc1cccc2cc(/C=C\\c3cccc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZCXRALQSSFPY-MDZDMXLPSA-N", "SMILES:Cc1cccc2cc(/C=C/c3cccc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEOVEFLSZNJWGH-ZHACJKMWSA-N", "SMILES:COc1c(/C=C/c2cccc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEOVEFLSZNJWGH-KHPPLWFESA-N", "SMILES:COc1c(/C=C\\c2cccc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIFADGCCHCZRNR-VAWYXSNFSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/C=C/c4cnc5ccccc5c4N(C)C)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIFADGCCHCZRNR-QXMHVHEDSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/C=C\\c4cnc5ccccc5c4N(C)C)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDWTZHSNPEKEJ-VAWYXSNFSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/C=C/c4cnc5ccccc5c4N4CCCC4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDWTZHSNPEKEJ-QXMHVHEDSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/C=C\\c4cnc5ccccc5c4N4CCCC4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEYRKZGGNPHPFF-CCEZHUSRSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/C=C/c4cnc5ccccc5c4Nc4ccccc4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEYRKZGGNPHPFF-PFONDFGASA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/C=C\\c4cnc5ccccc5c4Nc4ccccc4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYORWDWRQMVGHN-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQCWOGLRHLGOB-BSRQYYOTSA-N", "SMILES:COc1c(/N=N/c2cccc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVIRFMFFZIHOH-HEFFKOSUSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(/N=N/c4cnc5ccccc5c4)c3F)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMSIILTLJXZKS-ULDVOPSXSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/N=N/c4cnc5ccccc5c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMSIILTLJXZKS-KXYMVQBMSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/N=N\\c4cnc5ccccc5c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWJVOGHZNRHTLN-MDZDMXLPSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/C=C/c4cnc5ccccc5c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWJVOGHZNRHTLN-KTKRTIGZSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/C=C\\c4cnc5ccccc5c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQCWOGLRHLGOB-KRYSQPQISA-N", "SMILES:COc1c(/N=N\\c2cccc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVIRFMFFZIHOH-DTTHWBISSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(/N=N\\c4cnc5ccccc5c4)c3F)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONBFBSIEXZMYQS-XAHDOWKMSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cccc(/N=N/c4cnc5[nH]ccc5c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDGUZDOTNGSANE-SSDOTTSWSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCSAFOSROJLQM-MRVPVSSYSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2ncsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USFOWTIMQWOQMO-SECBINFHSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDKBIRSCQCUDX-MRVPVSSYSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXVKZAEKUZPCK-SECBINFHSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKDLZBJSBFRQN-SECBINFHSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDHTIRIZUGAKI-SECBINFHSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOIXIVNPHLJHFY-SSDOTTSWSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLRWWDGGLOPBOT-MRVPVSSYSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2oncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWMPBLQDVHMEKV-SNVBAGLBSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSOOHNCSBODEH-IKOFQBKESA-N", "SMILES:NC(=O)c1ccc2c(c1)nc(NC(=O)c1nn(C3CCCCO3)c3ccccc13)n2C[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEJQBWULFFKFD-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKXZBQVJEVDCFY-GOSISDBHSA-N", "SMILES:NC(=O)c1ccc2c(c1)nc(NC(=O)c1ccoc1)n2C[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKYMLSMCLLMIGU-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)O)ccc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLTZBWDBDPLWCY-GOSISDBHSA-N", "SMILES:CCn1nc(C(F)(F)F)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAZGTDIOCXEVLP-QGZVFWFLSA-N", "SMILES:Cn1cc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2C[C@@H](O)c2ccccc2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWGNJYLDDZGHR-HXUWFJFHSA-N", "SMILES:NC(=O)c1ccc2c(c1)nc(NC(=O)c1cc3ccccc3o1)n2C[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKIEXKSMUDCIE-UHFFFAOYSA-N", "SMILES:CCn1nc(C(F)(F)F)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JADDLSAZXVQDRH-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCNC(=O)OC(C)(C)C)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNKYSBMFPLHAI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2cc3ccccc3o2)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURPZDTXJSZTKE-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKANYVUYXMYGQE-UHFFFAOYSA-N", "SMILES:C=CCn1nc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCn2c(NC(=O)c3cc(C)n(CC=C)n3)nc3cc(C(N)=O)ccc32)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNASMOKCNDISMK-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)OC)ccc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)OC)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSLSRPGGSGFDY-HXUWFJFHSA-N", "SMILES:NC(=O)c1ccc2c(c1)nc(NC(=O)c1n[nH]c3ccccc13)n2C[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMCAXXWLAJHDT-UHFFFAOYSA-N", "SMILES:C=CCn1nc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCNC(=O)OC(C)(C)C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTHNWZHOSAHDKM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2ccoc2)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHNQLMBRITZUHE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCNC(=O)OC(C)(C)C)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUMSUNXHURJHIP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCNC(=O)OC(C)(C)C)n(C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZAFCKZEUSXYSC-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIWHEDBQXMCLIA-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)nc(NC(=O)c1cc3ccccc3o1)n2CCCCn1c(NC(=O)c2cc3ccccc3o2)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNIMGAPJZQHCOC-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAABRZNZMDVIO-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)NCCCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPMLPYNROGGQT-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCNC(=O)OC(C)(C)C)n(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDWRZKKJEVUVMY-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYUURFBINRFOP-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAUYNFRMIIVGI-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCn2c(NC(=O)c3cn(C)nc3C(F)(F)F)nc3cc(C(N)=O)ccc32)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOQKJVIOYBACFZ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)NCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIHDGGXIQXHWON-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/CNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRVSDOUTPXEME-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDNGZGBHCYODG-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJIVKZUCVOHHJ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQQZSKFKNBNOL-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)c1cc(C)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZRWWBFZIKGCGY-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)NCCCOc1cc(C(N)=O)cc2nc(NC(=O)c3cc(C)nn3CC)n(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGORUIXYNTYKM-VAWYXSNFSA-N", "SMILES:CCn1nc(C)cc1C(=O)NCCCOc1cc(C(N)=O)cc2nc(NC(=O)c3cc(C)nn3CC)n(C/C=C/Cn3c(NC(=O)c4cc(C)nn4CC)nc4cc(C(N)=O)cc(OC)c43)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAHZOLYKHWKFQ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCN)c2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHYYYXLQUGJICH-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCN)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIYRZERUGHECIE-VAWYXSNFSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCNC(=O)OC(C)(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHVALOQCAKXKR-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)NCCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEIRRISJNVGZGW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCNC(=O)OC(C)(C)C)c2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLGUUXMOOWUTC-HSTAZWAASA-N", "SMILES:Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1ccn2ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKPNZYKHLRMXRP-CPSHHHPTSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1ccn2ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTSGFGNZVLCQE-VMLCMGRWSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1ccc2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGURWXVQNCHCIP-CPSHHHPTSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cnc2ccnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUXMYUMMSWVGH-CPSHHHPTSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cc2nccn2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWHKGJSHFOELO-CPSHHHPTSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1ccn2cnnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKAPRHCWWQTIM-PDEZOQIOSA-N", "SMILES:CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)/C(F)=C\\[C@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRHFPTXSRUXGC-ZLQZBKBYSA-N", "SMILES:Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cnn2cnnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKAPRHCWWQTIM-PHZXFRFISA-N", "SMILES:CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)/C(F)=C/[C@@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKAPRHCWWQTIM-OKFCBPFISA-N", "SMILES:CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)/C(F)=C\\[C@@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYLWPLCMORTKOJ-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)Nc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKAPRHCWWQTIM-OERAWDQMSA-N", "SMILES:CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)/C(F)=C/[C@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXKACUHTAVIBD-ZQAUEJBPSA-N", "SMILES:CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)/C=C/[C@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRSOAIMVVRTJR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLXNVOLRGVYNI-BWAMLYQTSA-N", "SMILES:Cc1cc(Nc2c(C#N)cnc3ccc(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cc2nncn2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYIUENVBACZSCL-TYOLEZHBSA-N", "SMILES:Cc1cc(Nc2ncnc3ccc(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cc2nncn2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXNBLABUXMVOL-SNAWJCMRSA-N", "SMILES:Cc1cc(Nc2c(C#N)cnc3ccc(NC(=O)/C=C/CN(C)C)cc23)ccc1Oc1cc2nncn2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHOMWNVSSMYQJF-SNAWJCMRSA-N", "SMILES:Cc1cc(Nc2ncnc3ccc(NC(=O)/C=C/CN(C)C)cc23)ccc1Oc1cc2nncn2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPCGYUQHZRYLM-ONEGZZNKSA-N", "SMILES:COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQWKJBNZMOEBF-ONEGZZNKSA-N", "SMILES:COCC(=O)NC/C=C/c1ccc2ncc(C#N)c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDXEJNRKQHBMI-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHIVVHFCDIOXIN-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Nc2ccc(-c3ccc4ncc5c(c4c3)n(C3CCOCC3)c(=O)n5C)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZWDGMQRJIZSAF-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPRPVNZFJRRNR-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDOIQOWWCUGGF-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CN(C)C5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQDPPAUMVJUDPW-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCN(C)C5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGNPYXRYOJCPP-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCCN(C)C5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZGQKMEXSOYTA-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCN(C)CC5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNSXYQFNXGFLJR-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCMFVGIJCRLST-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCNCC5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJMIGQTICRRME-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC(C)CN(C)C)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUJKEIRJDYAFJJ-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N(C)CCN(C)C)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTCRJHIMZUSMBR-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCN(C)CC5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANDOWPAZCJFFR-SFTDATJTSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5C[C@@H]6C[C@H]5CN6C)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBCMYEPFEONXTP-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)Nc2ccc(-c3ccc4ncc5c(c4c3)n(CCOC)c(=O)n5C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFFCJFWKGCZFCE-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCN(C(C)C)CC5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOBZAKXRJDTXBX-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CC(N(C)C)C5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYQWKYXLOXOPMA-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCC(N(C)C)C5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQLLHOJUPVHCR-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCC(N(C)C)CC5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYQOUMBECLKJU-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCC(NC(=O)OC(C)(C)C)CC5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNWLGOKMSEIOT-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCC(N)CC5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWPCIQZUWWREB-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCN(C)CC5)cc4F)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQYTIYRVZHUAZ-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCN(C)CC5)c(F)c4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGFJBUFSIGBPN-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCN(C)CC5)c(F)c4F)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDNEGNUFIOIDE-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCN(C)CC5)c(F)c4Cl)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNQKQLEGLIVNC-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCN(C)CC5)c(C)c4F)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJCLEGONBCXID-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4F)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDAMATOMTKLLAD-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)c(F)c4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQVCWJOKVYZCSB-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)c(F)c4F)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBDHUCLNFFDHTL-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)c(F)c4Cl)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZCNOWVCLYAIG-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)c(C)c4F)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKSCWBVRFPFNV-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN5CCC5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHAYGJSVNRVADE-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN5CC(F)C5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZXAMCJHGDJPPM-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN5CC(F)(F)C5)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTYLTIONPNDOX-UHFFFAOYSA-N", "SMILES:O=C(NC(CSCc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYYZOTUVRQFMLA-UHFFFAOYSA-N", "SMILES:O=C(NC(CSCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRVIUSTUAUIHY-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMOGTWYLFCBPRK-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVLCMNPIGKDDOH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2ccc(CSCC(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXYXULJPWEGDM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(CSCc1ccc(Cc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFFZTDAOYAEEJH-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(CSCc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJZOCKKESNTJIM-BUHFOSPRSA-N", "SMILES:CC(C)(C)OC(=O)NC(CSCc1ccc(/C=C/C(=O)c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYOMDSTRWAGQZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2ccc(CSCC(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFVORPLRHYROAA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(CSCc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFUTBWRCLLDDI-SFHVURJKSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1967191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFUTBWRCLLDDI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIHXRYJEREANA-UHFFFAOYSA-N", "SMILES:O=C(NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPJDYFJSCDMPOG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)NC(CSCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJJIIVCCYQCRE-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNZRZQNWMQKAPV-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(COCc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCEXTMFEHJRYKY-UHFFFAOYSA-N", "SMILES:CC(SCc1ccccc1)C(NC(=O)c1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5186824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGGYSCGHENRMAT-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(COCc1ccc(Cc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGHLSBGGIKDNF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(COCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQUTJOTERTLRK-BOHWMMLXSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDFRLPNRNYUOHR-HNZKXKKDSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVEWCWFCZMXCNM-UKUZLCGXSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H]5OC[C@]4(COP(=O)(O)O[C@@H]2C3)O[C@H]5n2cnc3c(N)ncnc32)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHAARXFORRSFU-HLYSKSGUSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2C3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUTGWDFAFWDEPZ-RKNFDJLMSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2C3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKZWLYGEWFCFP-IVDUXIMJSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2C3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQUTJOTERTLRK-NWLMBUBQSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFIODQVJUOZGOV-DPIFWWNASA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H]5OC[C@]4(COP(=O)(O)O[C@@H]2[C@@H]3O)O[C@H]5n2cnc3c(N)ncnc32)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHAARXFORRSFU-WOGDNCAQSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2C3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFNNGHJQORXNH-BOHWMMLXSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRXMMBTHMVWAY-ALZPNJOUSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXGYDPPYKVDAP-BOGCYVOXSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDHAHYCWXGXHB-RDDLQQIBSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H]5OC[C@]4(COP(=O)(O)O[C@@H]2[C@@H]3F)O[C@H]5n2cnc3c(N)ncnc32)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXGYDPPYKVDAP-SALLFFCHSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJIDBKGKNYEKX-XVDGOSNOSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(S)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO[P@@](=O)(S)O[C@@H]2C3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYYRZCTOHQDEA-PHLQUYMBSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(S)O[C@H]4[C@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO[P@@](=O)(S)O[C@@H]2[C@@H]3F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXCWEALGGVJMJ-ZBHTZQFDSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(S)O[C@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO[P@@](=O)(S)O[C@@H]2[C@@H]3F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNKHHZCOQKVFMT-RLOXAXCNSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(S)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO[P@@](=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVRQLTUWZRADAJ-AUKZECBWSA-N", "SMILES:N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(S)O[C@H]4[C@H]5OC[C@]4(CO[P@@](=O)(S)O[C@@H]2[C@@H]3O)O[C@H]5n2cnc3c(N)ncnc32)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRJMSGATOBMXAC-XSLAGTTESA-N", "SMILES:COC(=O)[C@H](CC(C)C)Nc1nc(Cl)nc(N[C@H]2CC[C@H](Nc3nc(Cl)nc(N[C@@H](CC(C)C)C(=O)OC)n3)CC2)n1"]}
{"name": "Atrial natriuretic peptide receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL5169133"], "id": "UniProtKB:P41740", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPCIIXSQCSDSG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(NCCC(=O)OC(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCRKFYABCQISR-FQEVSTJZSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRVHSQMEQCPJZ-IBGZPJMESA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@H](C(=O)OC(C)(C)C)C3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKXVNZCVVDOHRR-KRWDZBQOSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](Cc3ccccc3)C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBJHDAUCEOBOBM-AWEZNQCLSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](CC(C)C)C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOARLMNUBAZUHD-NSHDSACASA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](C)C(=O)OC(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDDIZLQKJSJPLT-FQEVSTJZSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](Cc3ccc(F)cc3)C(=O)OC(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMYOIXCWRVZQCH-NRFANRHFSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](CCc3ccccc3)C(=O)OC(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKXAQNAEUEDNC-KRWDZBQOSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](CC(C)C)C(=O)OC(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTHKNLZWYSWCJ-CEGZDBATSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMZUOHRWGIFSC-FQEVSTJZSA-N", "SMILES:CC(C)C[C@H](Nc1nc(Cl)nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSPLYDLBPTSTC-SFHVURJKSA-N", "SMILES:CCCCS(=O)(=O)Nc1ccc(Nc2nc(Cl)nc(N[C@@H](CC(C)C)C(=O)OC(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSIORZWSDEYHT-INIZCTEOSA-N", "SMILES:CC(=O)Nc1ccc(Nc2nc(Cl)nc(N[C@@H](CC(C)C)C(=O)OC(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACWCTQWBGBEJSE-IBGZPJMESA-N", "SMILES:CCCCS(=O)(=O)Nc1ccc(Nc2ncnc(N[C@@H](CC(C)C)C(=O)OC(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKMVPNYXRFBGS-KRWDZBQOSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](CC(C)C)C(=O)OC(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXYQXXIGRGAYBE-IBGZPJMESA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](CC(C)C)C(=O)OC3CCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAWYOZJODFAQZ-INIZCTEOSA-N", "SMILES:CON(C)C(=O)[C@H](CC(C)C)Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMVOEPUQALGLD-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@H](CO)CC(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANSWJOLJUQEMEM-SFHVURJKSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@H](COC(C)(C)C)CC(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIMAFYERMAKFB-INIZCTEOSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@H](C(=O)OC(C)(C)C)C(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUALMRKBOPURKQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(NCC(=O)OC(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBPCSFKWKVKQJ-MRXNPFEDSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@H](C(=O)OC(C)(C)C)C(C)(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAPQEZWLDSGBR-NRFANRHFSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc(N[C@H](COC(=O)C(C)(C)C)Cc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEWACNOLSOFXIH-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2cc(-c3cnc(C4CC4)[nH]3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHWPMZRWLVJKK-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2cc(-c3cnc(C4CCC4)[nH]3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRRNUBIKNVQHO-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2cc(-c3cnc(C4CCCC4)[nH]3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCJMBWXOKLINTN-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2cc(-c3cnc(C4CCCCC4)[nH]3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVRFBWOVKHFHN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4ccccc4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRTUSHHLLPBQN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXLZAIZPSKFHRK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(NS(C)(=O)=O)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPDZBOWRCGBFAP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(NS(=O)(=O)C(C)C)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCMDFTKIAGRDJL-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJYKPKPZHMQDY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(NS(=O)(=O)C5CC5)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPAPUDIDCDAFEO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Cc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJIGVYMQHSBPRW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(CS(=O)(=O)C(C)C)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQZOSYSGHHHNNV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(CS(=O)(=O)C(C)(C)C)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIOZHQJSKRSLSM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHKXPHHNVAQOP-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVZRRQYYCCWBQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(NC(=O)C(C)C)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHCTCCEOBSGPK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(NC(=O)C5CC5)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSHRLLMVYLREDT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(CO)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCDGNYQOWDNEJL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(C(C)(C)O)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPFDOFVAQGWTDA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2c(F)cc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGDQNZAZTMSLCT-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2c(C)cccc2C)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZZZIVYOLMVMZ-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1Oc1ccc(NS(=O)(=O)CC)cc1-c1cn(C)c(=O)c2cc(-c3cc(C)c(OCCO)c(C)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMQMUMEXHIKFW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2c(OC)cccc2OC)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYVLHLSZZSESF-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1Oc1ccc(NS(=O)(=O)CC)cc1-c1cn(C)c(=O)c2cc(-c3cc(C)c(OCCO)c(C)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMOLFXOGJCZPJG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUHDQCATVCDFA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cc(C)cc(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCUOQXKIZVNMPI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4ccc(OCCO)cc4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSAOOLVJUIXUJO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4ccc(CCCO)cc4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJYGJVADYFZXID-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(CCCO)c(C)c4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWALAYQEQUFOGH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cnc[nH]4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKKKYKRFJOGHAD-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cnc(C)[nH]4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJVRZRYHZKAUFA-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cc3c(=O)n(C)cc(-c4cc(NS(=O)(=O)CC)ccc4Oc4ccc(F)cc4F)c3o2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLLEGZGTOMAKP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cnc(C(C)C)[nH]4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHSGSHNAVQNFR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cnc(C5CC5)[nH]4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMKZGYVLHFTMM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cnc(C5CCC5)[nH]4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEAAYJFDDWPXNW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cc(-c4cnc(C5CCCC5)[nH]4)oc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAISNICLHBULL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(C(C)(C)O)ccc4Oc4c(C)cc(F)cc4C)c3o2)cc(C)c1OCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRDVGUXFUNBLSZ-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cc3c(=O)n(C)cc(-c4cc(C(C)(C)O)ccc4Oc4c(C)cc(F)cc4C)c3o2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHFUFKACISHYKI-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2cc(-c3cnc(C(C)C)[nH]3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJVANLOTTCMKRW-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2cc(-c3cnc(C4CCOC4)[nH]3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZJPGYKBKGXNIF-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2cc(-c3cnc(C4CCOCC4)[nH]3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKAQLZRMQGWNMB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYVWMWGFNTXKPF-NRFANRHFSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cc(Cl)ccc1OCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGOZQJNNPSXGNT-UHFFFAOYSA-N", "SMILES:CC1CCCCN1CCOc1ccc2c3c(nccc13)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441414", "category": ["biolink:ChemicalEntity"], "name": "LOXOPROFEN TRANS ALCOHOL", "xref": ["InChIKey:SHAHPWSYJFYMRX-GDLCADMTSA-N", "SMILES:C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1"], "synonym": ["Loxoprofen trans alcohol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMXUZPJQMLRIPX-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cncnc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAMPOKDQUZAAKE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c5c(sc4n3)CCc3c[nH]cc3-5)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRQJUYGBOBQOV-UHFFFAOYSA-N", "SMILES:Cn1cc2c(c1)-c1c(sc3nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMSOQNGIADECS-NTCAYCPXSA-N", "SMILES:COc1ccc(S(=O)(=O)/C=C/C2CCN(Cc3ccccc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLKQVQGTHRESO-HYARGMPZSA-N", "SMILES:COc1ccc(S(=O)(=O)/C(Cl)=C/C2CCN(Cc3ccccc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWDUCHOUAYVBN-HZHRSRAPSA-N", "SMILES:CO/C(=C\\C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLXKNNCPDFHIU-UDWIEESQSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)/C(=C/C1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLXKNNCPDFHIU-NDENLUEZSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)/C(=C\\C1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYMDFTQHFOQKQH-KGENOOAVSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)/C(=C/C1CCN(Cc3ccccc3)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLABXPNBLFODC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYDIVINFPVQLT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1CCN(Cc3ccccc3)CC1)=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POBWSLKFEQGNLR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1CCN(Cc3ccc(F)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNGITPPJBKHBQI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1CCN(Cc3cccc(F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPAJJLSCFSQNW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1CCN(Cc3ccccc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHJBBPVRAJCNOX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1CCN(Cc3ccc(F)cc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRSPCYZLBJYZQP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1CCN(Cc3ccc(F)c(Cl)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOKGWEFZMOHTKB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1CCN(Cc3c(F)cc(F)cc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPVAICIJAADBU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQXZAOBOELQXPH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3ccc(F)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCUANDPQRECEW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3cccc(F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPZTROTYMEQLK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3ccccc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRNDJFDMVRDZBB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3ccccc3Cl)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHXZVBSJZMWAD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3cccc(Cl)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMZOJCZWYACOM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3ccccc3C)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSHKTEVUTXOOHI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3ccccc3C(F)(F)F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZZWZKTURCCYMP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3ccc(F)cc3F)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASVYDUMYRZSGRZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3ccc(F)c(Cl)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEHBXODFHSCZLW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3cccc(C)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVJYMZOWJKEUNR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)S(=O)(=O)C(F)(CC1CCN(Cc3cccc(F)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQAOUGYBYBHEA-UHFFFAOYSA-N", "SMILES:COc1cc2cc(CC3CCN(Cc4ccccc4)CC3)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUGDCQMMSIQMX-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)OC2=C(c3cccc4ncccc34)Oc3cc4ccccc4cc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMUUKXRKKHYEE-UHFFFAOYSA-N", "SMILES:Cl.NC(=O)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRIYHLSBQMDQM-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1ccc(-c2noc(CN3CCCC(CN4CCOCC4)C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFQGZIAZHIRPPQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2noc(CN3CCCC(CN4CCOCC4)C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUWXEQLYVPJNLG-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1ccc(-c2noc(CN3CCCCC3CCc3ccccn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFQGZIAZHIRPPQ-HNNXBMFYSA-N", "SMILES:FC(F)(F)c1ccc(-c2noc(CN3CCC[C@@H](CN4CCOCC4)C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFQGZIAZHIRPPQ-OAHLLOKOSA-N", "SMILES:FC(F)(F)c1ccc(-c2noc(CN3CCC[C@H](CN4CCOCC4)C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLXVDWCZHLLLM-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHVGZODROPSVRZ-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDFHWGEAOKELS-UHFFFAOYSA-N", "SMILES:c1cc(CNc2ncc(-c3ccncc3)c3nncn23)c2c(c1)OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNJGTNXXYAEHGW-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1CNc1ncc(-c3cccnc3)c3nncn13)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJOTHYDSVQASF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPOYFENWQYULOI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKSEWHNGOQJTJ-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1CNc1ccc(-c2cccnc2)c2nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAIGYWRSSIZFEJ-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1CNc1ccc(-c2ccc(C)nc2C)c2nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHDIUUFGPILEJO-UHFFFAOYSA-N", "SMILES:CNC(=O)Cn1c(=O)[nH]/c(=N\\c2ccc(OC(F)F)cc2C)n(Cc2cc(F)c(F)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAGVUVLRKSMPAA-UHFFFAOYSA-N", "SMILES:CNC(=O)Cn1c(=O)[nH]/c(=N\\c2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAFGHDDJZAYBF-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)ccc1-c1sc2cc(B(O)O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDDIGXZNLPIZFG-SFHVURJKSA-N", "SMILES:CC(F)(F)c1cc(F)ccc1-c1sc2cc(B(O)O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUBLWUFXJONSLJ-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(OCCN2CC(CF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSGAQNREJBUPZ-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(OCCN2CC(CC#N)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODICFXFVWCCEB-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(OC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULFJTKVNZGPDEP-OAQYLSRUSA-N", "SMILES:CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(O[C@@H]2CCN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZCDSBISHDLPE-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(NC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKLKTQHVBJKFN-HXUWFJFHSA-N", "SMILES:CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(N[C@@H]2CCN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOOLLAFYNUEZHH-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(Cl)ccc1-c1sc2cc(C(=O)O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEZKNQRWRHBGHD-JOCHJYFZSA-N", "SMILES:CC(F)(F)c1cc(Cl)ccc1-c1sc2cc(C(=O)O)ccc2c1Oc1ccc(O[C@@H]2CCN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJXBIHGZYGXHY-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(Cl)ccc1-c1sc2cc(C(=O)O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMDWBBDTVHAQDU-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(Cl)ccc1-c1sc2cc(C(=O)O)ccc2c1Oc1ccc(NC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZULFWFJFNTWPO-UHFFFAOYSA-N", "SMILES:CC(c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(OC2CN(CCCF)C2)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZAPGUUDGKQAJ-UHFFFAOYSA-N", "SMILES:FCCCN1CC(Nc2ccc(Oc3c(-c4ccc(F)cc4CC(F)(F)F)sc4c3ccc3[nH]ncc34)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOSGSUHADDAHF-UHFFFAOYSA-N", "SMILES:CC(C)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(NC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZBVRTUYQHMIQ-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)c(F)cc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(NC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDNHXNDWSDVYRN-UHFFFAOYSA-N", "SMILES:CC(F)(c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(NC2CN(CCCF)C2)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJNMJDNMBEZFL-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2c(-c3ccc(F)cc3C(C)(F)F)sc3c2ccc2[nH]ncc23)ccc1NC1CN(CCCF)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDEVZDLOHZOESS-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(NC2CN(CCCF)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUONBUGRIAXKMC-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2c(-c3cc(F)c(F)cc3C(C)(F)F)sc3c2ccc2[nH]ncc23)ccc1NC1CN(CCCF)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPMYVJPFFROOP-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2c(-c3ccc(F)cc3CC(F)(F)F)sc3c2ccc2[nH]ncc23)ccc1NC1CN(CCCF)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVVVNJVACIZFGI-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2c(-c3ccc(F)cc3C(C)(C)F)sc3c2ccc2[nH]ncc23)ccc1NC1CN(CCCF)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PARUJKYPENNGAV-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)c(F)cc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(OC2CN(CCCF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZRIXSQQCWDNQQ-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2c(-c3ccc(F)cc3C(C)(F)F)sc3c2ccc2[nH]ncc23)ccc1OC1CN(CCCF)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZYYCQSQRMYMKR-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2c(-c3cc(F)c(F)cc3C(C)(F)F)sc3c2ccc2[nH]ncc23)ccc1OC1CN(CCCF)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDBAKLXZUSVSM-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2c(-c3ccc(F)cc3CC(F)(F)F)sc3c2ccc2[nH]ncc23)ccc1OC1CN(CCCF)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVOFEJTZMKBIL-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2c(-c3ccc(F)cc3C(C)(C)F)sc3c2ccc2[nH]ncc23)ccc1OC1CN(CCCF)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKNAMAVUZDWCM-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(OC2CN(CCCF)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFXSKTFOYYDPNZ-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)c(F)cc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(OC2CN(CCCF)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBMJKFGQNCMFZ-UHFFFAOYSA-N", "SMILES:FCCCN1CC(Oc2ccc(Oc3c(-c4ccc(F)cc4CC(F)(F)F)sc4c3ccc3[nH]ncc34)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOIMQHCDULVCMZ-UHFFFAOYSA-N", "SMILES:CC(C)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(OC2CN(CCCF)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILJHRHXDKVDOTK-NYYWCZLTSA-N", "SMILES:CC(F)(F)c1cc(-c2sc3cc(O)ccc3c2Oc2ccc(/C=C/C(=O)O)cc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQUKMZBIQNXSEV-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(OCCN2CC3C(C2)C3(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMTXRUJVBZHRY-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(S(=O)(=O)CCN2CC(CF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQSNENHHRHAQP-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(COCCN2CC(CF)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRBWPMAASSKPDM-HXUWFJFHSA-N", "SMILES:CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc32)c1Oc1ccc(OC[C@H]2CCCN2CCCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTDUBPDLRWKSBQ-ZDUSSCGKSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5183281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACUFUQZLAOSFL-ZDUSSCGKSA-N", "SMILES:CC1(C)c2ccc3c(c2CC[C@@H]1O)C(=O)C(=O)c1c(CO)coc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578036", "category": ["biolink:ChemicalEntity"], "name": "PRZEWAQUINONE A", "xref": ["InChIKey:CEHVTERMWMYLCP-UHFFFAOYSA-N", "SMILES:CC1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(CO)coc2-1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5193307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMRZPZKSYYANCE-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C(Br)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNZDAKGKHOKBGC-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C(=O)C(O)CC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDSNFKKWUSEDKA-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C(=O)C(O)=CC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHWFXUZICSNIA-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C=CC(=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRHFGJKGKOJAI-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)C=Cc2c1ccc1c2C(=O)C(=O)c2c(C(=O)O)coc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZOYQYOLGUNDA-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1coc2c1C(=O)C(=O)c1c-2ccc2c1C=CC(=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNASLQOUDTCSR-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)C=Cc2c1ccc1c2C(=O)C(=O)c2c(CF)coc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVUZMUTZBMXXAM-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)C=Cc2c1ccc1c2C(=O)C(=O)c2c(CCl)coc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBGFMECMJXIZLM-UHFFFAOYSA-N", "SMILES:CC(=O)OCc1coc2c1C(=O)C(=O)c1c-2ccc2c1C=CC(=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSKURLYZNQOBMG-HNNXBMFYSA-N", "SMILES:CC(=O)OCc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCOYXMEAVILNC-UHFFFAOYSA-N", "SMILES:CC(=O)OCc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC(=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKCDPZDXEWTIQS-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)CCc2c1ccc1c2C(=O)C(=O)c2c(CO)coc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNETYQNVRDRJJV-HNNXBMFYSA-N", "SMILES:CC(=O)O[C@H]1CCc2c(ccc3c2C(=O)C(=O)c2c(C)coc2-3)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKBEPVPOUPRPM-HNNXBMFYSA-N", "SMILES:CC(=O)O[C@H]1CCc2c(ccc3c2C(=O)C(=O)c2c(CO)coc2-3)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVABPCJUJBYVID-AWEZNQCLSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](OS(C)(=O)=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFLVAPDJGFZBA-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC(=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBBJJBFUHAYINW-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQQOLPPAGWDOAG-UHFFFAOYSA-N", "SMILES:Cl.Nc1c(Cl)cc(C(CO)NC2CCCC2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGAQQLSIVIRKC-UHFFFAOYSA-N", "SMILES:CCOCCCNC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTCRLVHJKBZEGL-UHFFFAOYSA-N", "SMILES:CCCCNC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFXFNPVEUAQUDZ-UHFFFAOYSA-N", "SMILES:CC(C)(Cc1ccccc1)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQVNJQBZHMDEC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLPRKQYZZVSCB-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(CO)c1cc(F)c(N)c(S(C)(=O)=O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUPSBHXQMGSOP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(CO)c1cc(F)c(N)c(Br)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPMBZDDBFRRFE-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(CO)c1cc(Br)c(N)c(C#N)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXGHVSDXGUFNC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(CO)c1ccc(N)c([N+](=O)[O-])c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKIGWKRLFONMH-UHFFFAOYSA-N", "SMILES:CC(C)NC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMUXNBHXVCLLD-UHFFFAOYSA-N", "SMILES:Cl.Nc1c(Br)cc(C(CO)NC2CCCC2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXLYYWYXBWWYOO-UHFFFAOYSA-N", "SMILES:Cl.Nc1c(Br)cc(C(CO)NC2CCCCC2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONANXYUXKGBQC-UHFFFAOYSA-N", "SMILES:CCOCCCNC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUAUUVPZRYLGY-UHFFFAOYSA-N", "SMILES:CCCCNC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRHOLKXQBVSHK-UHFFFAOYSA-N", "SMILES:CC(C)NC(CO)c1cc(F)c(N)c(Br)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOAOMLUGMBVNBD-UHFFFAOYSA-N", "SMILES:CCCCNC(CO)c1cc(F)c(N)c(Br)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPCZFVRASAWQK-UHFFFAOYSA-N", "SMILES:CCOCCCNC(CO)c1cc(F)c(N)c(Br)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVACREQONILIGM-UHFFFAOYSA-N", "SMILES:Cl.Nc1c(F)cc(C(CO)NC2CCCC2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJLNGIEMALHET-UHFFFAOYSA-N", "SMILES:Cl.Nc1c(F)cc(C(CO)NC2CCCCC2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKWSTLWSDNNFLA-UHFFFAOYSA-N", "SMILES:Cl.Nc1c(F)cc(C(CO)NCc2ccccc2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRKMSGIFMGJCY-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(CO)c2cc(F)c(N)c(Br)c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNBRVHBQTKLBIF-UHFFFAOYSA-N", "SMILES:Cl.Nc1c(F)cc(C(CO)NCc2ccc(F)cc2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPSSCERDLZFLJO-UHFFFAOYSA-N", "SMILES:Cl.N#Cc1cc(C(CO)NC2CCCC2)cc(Br)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCHSUGFHWHGDHI-UHFFFAOYSA-N", "SMILES:Cl.N#Cc1cc(C(CO)NC2CCCCC2)cc(Br)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDISIASIGHYSLQ-UHFFFAOYSA-N", "SMILES:CCOCCCNC(CO)c1cc(Br)c(N)c(C#N)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWBUPBBSKHOKJ-UHFFFAOYSA-N", "SMILES:CCCCNC(CO)c1cc(Br)c(N)c(C#N)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGRRCPOBUDWYDA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCCCC3)c3cc(Cl)ccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOACBAGBBAJMW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQJPPAFCJPVEM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQOEKXPXXVABE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMYBLKVCHBORCM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTIPJBQMXIZTTD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCc3ccncc3)c3cc(Cl)ccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPCBRWQBCKEPG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCC(=O)N3CCOCC3)c3cc(Cl)ccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJCAELQBXPGPSA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCN(C)CC3)c3cc(Cl)ccc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOJRFIVNZUQKMG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOICWEXVVBIEFV-KEEVHDRGSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N(CCCCCCn1cnc2cc(Br)c(Cl)cc2c1=O)Cc1cccc(-c2ccc3c(c2)CNC3=O)c1"]}
{"name": "Threonine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL5169210"], "id": "UniProtKB:A0A3F3IEK2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:28901"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYUYCGWYDCION-LBEKAKSKSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N(CCC(=O)NCCn1cnc2cc(Br)c(Cl)cc2c1=O)Cc1cccc(-c2ccc3c(c2)CNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDNXTLQCHTASP-QTEAWJPNSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N(CCCC(=O)NCCn1cnc2cc(Br)c(Cl)cc2c1=O)Cc1cccc(-c2ccc3c(c2)CNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDWXWAGYKOCBHR-ISCRSJHHSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDWXWAGYKOCBHR-KPBNCHHWSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFJIAPGOHYCRC-FQPFMHBPSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFJIAPGOHYCRC-MHGJXKTKSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZDITDHDOSWBNT-RKQBMHSKSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccc3c(N)ncnc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZDITDHDOSWBNT-PPESNGSESA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccc3c(N)ncnc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMSMDWFKPPJRP-RKQBMHSKSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccc3c(c2)CNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMSMDWFKPPJRP-PPESNGSESA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccc3c(c2)CNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPKMNYYNQOYDA-RKQBMHSKSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccc3[nH]ncc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPKMNYYNQOYDA-PPESNGSESA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccc3[nH]ncc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNUYUCRDJCTBF-RXWQXRMOSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNUYUCRDJCTBF-VXUZDMJLSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@H](CNC(=O)CCn1cnc2cc(Br)c(Cl)cc2c1=O)c1cccc(-c2ccc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPSFBDUEOVXLM-ISCRSJHHSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Cl)c(Cl)cc2c1=O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPSFBDUEOVXLM-KPBNCHHWSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@H](CNC(=O)CCn1cnc2cc(Cl)c(Cl)cc2c1=O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYEWQHCHICNRTG-ISCRSJHHSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Cl)c(F)cc2c1=O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYEWQHCHICNRTG-KPBNCHHWSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@H](CNC(=O)CCn1cnc2cc(Cl)c(F)cc2c1=O)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SABQLCWKFOYIEK-OGPKSRJFSA-N", "SMILES:CN[C@H](C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Cl)c(F)cc2c1=O)c1cccc(-c2ccccc2)c1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SABQLCWKFOYIEK-KETBTUPLSA-N", "SMILES:CN[C@H](C(=O)N[C@H](CNC(=O)CCn1cnc2cc(Cl)c(F)cc2c1=O)c1cccc(-c2ccccc2)c1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXLUECWAPXFDGD-RKQBMHSKSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Cl)c(Cl)cc2c1=O)c1cccc(-c2ccc3c(c2)CNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITSAJKYFZWXSM-YDZMPMGISA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Cl)c(Cl)cc2c1=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILELKUIEOXCUBY-YDZMPMGISA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Cl)c(Cl)cc2c1=O)c1cccc(-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDKBQXPBHLCILS-HWPZZCPQSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccc3[nH]ncc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXMAQAPNMNRQQB-OTYXRUKQSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NCC=CCn1cnc2cc(Cl)c(Cl)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUGUYIHIQRSSZ-KWMCUTETSA-N", "SMILES:C[C@@H](O)[C@@H](N)C(=O)N(CCCCCn1cnc2cc(Br)c(Cl)cc2c1=O)S(=O)(=O)c1cccc(-c2ccc3c(c2)CNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCHKTZCFMXPGM-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAYDGZDOLSSMTQ-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNSZWIKNBVYPCN-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCCCN2CCN(c3cccc4ccccc34)CC2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFTZAKZMPILFS-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCCCN2CCN(c3cccc4cccnc34)CC2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCEZEYQBZANHFL-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCCCN2CCN(c3cccc4c3OCCO4)CC2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQACCULQLKHGMI-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCn1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBWAPGCVMFPQBZ-UHFFFAOYSA-N", "SMILES:O=c1n(CC2CCC(CN3CCN(c4cccc(Cl)c4)CC3)CC2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSLSUZJMQBJPOJ-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEBUIPJWEZWCKO-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2ccc(CN3CCN(c4ccc(Cl)cc4)CC3)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLSRSRUPDWWMF-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCCCN2CCN(c3cccc(Cl)c3)CC2)c2cccc3c2n1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBPCXDBPVMPZQE-UHFFFAOYSA-N", "SMILES:S=c1n(CCCCCCN2CCN(c3cccc(Cl)c3)CC2)c2cccc3c2n1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGPXOELINLEIPA-UHFFFAOYSA-N", "SMILES:O=S1(=O)N(CCCCCCN2CCN(c3cccc(Cl)c3)CC2)c2cccc3c2N1CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQNXFBTXLFBRQD-UHFFFAOYSA-N", "SMILES:NC(=O)NCCCCCCN1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQKPNOVKCPNRQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCCCCCCN1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDHRRRBBKQJRMS-UHFFFAOYSA-N", "SMILES:NC(=O)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231068", "category": ["biolink:ChemicalEntity"], "name": "FLIBANSERIN", "xref": ["InChIKey:PPRRDFIXUUSXRA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1"], "synonym": ["Flibanserin", "Flibanserin", "Flibanserin", "Flibanserine", "Flibanserina", "Flibanserin", "Ectris", "Flibanserin", "BIMT 17", "BIMT 17 BS", "BIMT-17", "BIMT-17-BS", "Addyi", "Flibanserin"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5202054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUHBOMDUPLECSX-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULLCOQWAPGBSM-CXUHLZMHSA-N", "SMILES:CS(=O)(=O)Nc1ccc(/C(=C\\n2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUTPBJCUJFNKLP-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)O)c(O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRHZBRCRKPOREU-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(-c2ccccc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCILTNACHNCSCB-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(-c2ccccc2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADFTSFQGANUSC-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(-c2ccc(F)cc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPSVHXBUFUIBQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(-c2ccc(F)cc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAIMSDCSXBBWEK-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(-c2cccs2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSOGKSFNCMYOPA-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(-c2cccs2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRFMUBYXFRAOC-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(-c2sccc2C)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQFOFBNCKZEOCQ-UHFFFAOYSA-N", "SMILES:Cc1ccsc1-c1nc(O)c(O)c(C(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBCXCGPRPYMJGX-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(-c2ccsc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYHVCGSAGUWGP-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(-c2ccsc2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSGXHWITFQSAL-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBTZMLOTPWUTHO-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(-c2ccc(-c3ccccc3)cc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZIRIXNTIMZDNT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2nc(C(=O)O)c(O)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIIWLDOKNDGIP-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2ccc(O)cc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABDOWAHZYTMEF-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(Cc2ccc(O)cc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHYEQGFESDLGJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2ccc(F)cc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOEDATHTUPXYIO-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(Cc2ccc(F)cc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCDNTKIBPDMGD-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2ccc(Cl)cc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPARKWGPNKFSP-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(Cc2ccc(Cl)cc2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPLUEXRXMUTPH-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2ccc(F)cc2F)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZRNUGDWPCABE-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(Cc2ccc(F)cc2F)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRLHWHWHNRLLPH-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2ccc(Cl)cc2Cl)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIKCZKCLRSOWSD-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(Cc2ccc(Cl)cc2Cl)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IETMHWUAKRMQON-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2ccc(F)c(F)c2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPKJCVGGSZSFHE-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(Cc2ccc(F)c(F)c2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQOVWBGJHUBFR-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDSTVKQUHMIRA-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(Cc2ccc(Cl)c(Cl)c2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTWBAXIYUUFLD-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2cccs2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOJSXSUVRSQPKR-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(Cc2cccs2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGMANKKHXGGME-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2ccsc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZGWLFBSDZPJY-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(Cc2ccsc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJABTBXQVPKTDC-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2nc(-c3ccccc3)[nH]c(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXMRTJYNJENOK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1nc(-c2cccs2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSASERQYVVBSX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2nc(-c3cccs3)nc(O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXHIOUVOPIQEGR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)c1nc(-c2cccs2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKLYWXAJDGCACQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)c1nc(-c2cccs2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFOUSUJEBSBEN-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1)c1nc(-c2cccs2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVUSEOYPYHYFW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(F)c1)c1nc(-c2cccs2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHSLCAQORGTADX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1nc(-c2cccs2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDUPDVVTKUDANZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)c(Cl)c1)c1nc(Cc2ccccc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGZAUOBOIKCIEW-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2ccccc2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBNQHUMVIKFAU-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(-c2ccco2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKFDSUVIQPBLJU-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(Cc2ccccc2)nc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWFUFIXVQXNDT-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc(C)[nH]c(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARJZNXLTYNFLO-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOMQPXEZQHGQB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1F)c1nc(-c2cccs2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQBRXCDXOBXFZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2nc(Cc3ccccc3)[nH]c(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQAHIISJGSVKRB-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(C)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVDXXFMSVLFEO-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cc2ccc(C)cc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COMRFPCMBQSXQD-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)NCc2ccccc2)c(O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJDIKVVWRVPOT-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2nc(C)[nH]c(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASHXPHBRSAPCA-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSQELKAMVYUMG-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)NCc2ccc(F)cc2F)c(O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMEOUMIDYFXVLA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQVMTBXLHTCAT-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1Cl)c1nc(-c2cccs2)[nH]c(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNSNWCFNWYKJCG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(Nc3cc(=O)n(O)c(=O)[nH]3)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYQBRUSSCIAOOD-UHFFFAOYSA-N", "SMILES:CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTXNATUVOGQGJL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C4CCCC4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOBZWLXCDNMDLF-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C4CCCCC4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXRCMXYZHXOFP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccco4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHJYQWEQZJICP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccoc4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRHFGVJZSGFBTN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4cccs4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPPABIFXBIANFY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4cnn(C)c4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFABQUKUFUADE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccccc4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWLAAJKNNUXQMP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccccc4C)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWPIUQBWKBXKA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccc(F)cc4C)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNYBJPOJZNKAPJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(=O)c4ccccc4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVQISCWASJYEK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(-c4ccco4)ccc3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMJOLVJJUBITF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccco2)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXGXOUSPFACHN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(F)c(-c4ccco4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJVQLHZPKYGGA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(-c4ccco4)c(F)cc3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOASRCYTTZYJBV-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOUIEONBMMQTAM-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVNTXHHUOTPHG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDPMJYLFAJTIF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSAOMRHSUCLULG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFIHLMXOJFHZFN-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAALTGNLZKPPHA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDYHWAGTSYKPIT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAYGJTFTVCVPKA-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRXUWNSGFZMLEC-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(C)C)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPPNYQVOSCSGKI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDHFUSYMUTOKE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC2)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNXBTQUVZRWSJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=CCCC2)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQUPZNIGAYCFLS-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=CCCCC2)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAHITJUDEMSYHH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccco2)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWQAMPAOEIHJPP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLGPZMKBIAQBEQ-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCc2cc(NS(=O)(=O)c3cc(C4CC4)ccc3OC)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDYJSGRRCNKDIG-UHFFFAOYSA-N", "SMILES:CCCC(=O)N1CCc2cc(NS(=O)(=O)c3cc(C4CC4)ccc3OC)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1457272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSTURSIMNVGBDO-UHFFFAOYSA-N", "SMILES:COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJMZTLUWNXVRR-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(-c4ccco4)ccc3C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCJAMSITCEXKC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC2)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSVKTPDWDLHAH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC2)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFOQCZUUYGSHI-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC2)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZGUAKCJRZXRV-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BULDSMXGVHSVEQ-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGJIZCLLARQVMA-UHFFFAOYSA-N", "SMILES:CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCSSCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOUHKXYVOONFH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c3ccc(-c4cccc(F)c4)cc3nn2CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRCIOGRWZYVGLJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c3ccc(-c4cccc(F)c4)cc3nn2CCC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSZMCLVZKZIWPW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c3ccc(-c4cccc(F)c4)cc3nn2CCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVGPXVWHYHDHOC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c3ccc(-c4cccc(F)c4)cc3nn2CCCN(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPENEDJSHAUQGD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c3ccc(-c4cccc(F)c4)cc3nn2Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKOHKLUNRUFCRC-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc3cc(-c4cccc(F)c4)ccc3c2N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUQPKVIVVDTNY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c3ccc(-c4cccc(F)c4)cc3nn2Cc2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDMPBVVAPESTH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c3ccc(-c4cccc(F)c4)cc3nn2Cc2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVFGOJPVJZAJDY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c3ccc(-c4cccc(F)c4)cc3nn2Cc2cccc(C#N)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GICFXCBYFCTGPD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c3ccc(-c4cccc(F)c4)cc3nn2Cc2ccc(C#N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDWBDMKLLXWSDA-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCN(c2c3ccc(-c4cccc(F)c4)cc3nn2Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WERDEXBXZSRBOA-RXVVDRJESA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccccc1F)C(=O)N[C@H](C#N)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXHQPFJEGEAAM-SFTDATJTSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)N[C@H](C#N)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBQREJKJRLYBP-SFTDATJTSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H](C#N)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTQKNPLNSNKYCP-RXVVDRJESA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccc(F)cc1F)C(=O)N[C@H](C#N)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVLIJFCKUVVSD-PXNSSMCTSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C#N)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRCGWZHSZBQGBB-URXFXBBRSA-N", "SMILES:N#C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJWVLAJEWKGNV-ZEQRLZLVSA-N", "SMILES:N#C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGMVIWXDJOUDP-ZEQRLZLVSA-N", "SMILES:N#C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQSRUIBLNIRDIB-ZEQRLZLVSA-N", "SMILES:N#C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGANLAXENBMENX-REWPJTCUSA-N", "SMILES:N#C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWOOJSKWNKARS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMHWVBUGDQXIRI-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBFKRHNUBZYDCL-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1C1CC1)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEHHDPSCLUPJQP-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1-c1ccccc1)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWBXQFFSKGJSE-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1Oc1ccccc1)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNDHHKHUXGOSEB-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1C(=O)c1ccccc1)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXDLXGTKQPQIX-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2ccccc12)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVHPESORUOUOG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccccc1OCC(=O)Nc1ccc2[nH]c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEKAYYZZMCANTL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBRKZBXSWZXBQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(OCc2ccccc2)ccc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLRUVKUEQVMEIO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(O)ccc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIBYIMRNYBSOB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C#N)ccc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQZZSKSLBEIDB-UHFFFAOYSA-N", "SMILES:CCc1ccc(OCC(=O)Nc2ccc(O)cc2)c(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYJITMCUOHMVKZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(F)ccc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZDTELICCKVIX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(Cl)ccc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFAMLGSGBWCTSL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKUHZZUXZSATRZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC(=O)Nc2ccc(O)cc2)c(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALQGHBGWDZPRE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(OCC(=O)Nc2ccc(O)cc2)c(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXKCWJEPMDMAF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(=O)O)ccc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVNDNDRDVZTEG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAJRGBSGJCCWSP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOXABIANSZXPU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(N)=O)cc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXFULBIXLDETR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)cc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMZSNLCMSXSWSV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C#N)cc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKEWBANDGUUGJE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(Cl)c(F)cc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFUXMNJWQAWKQW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(F)cc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AESVFBMOGKAUMN-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(C)(C)C)c1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKGWHNRIOPYZTC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(C#N)c1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSMXWDYBKNYET-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(F)c1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVRFOVDGIMWBAR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(CN)c1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNXUUCDTNJFME-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCWDIGHSNQTQV-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCCCC(=O)NO)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJZCCYISKKVKL-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCCCCC(=O)NO)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLHVTPDCUZFDP-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCCCCCC(=O)NO)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECVDVLEPFNKCJ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCCCCCCC(=O)NO)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJNYIWYIYPYPL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3CCCCC(=O)NO)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRRJSSUXWTYCIP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3CCCCCC(=O)NO)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQKZARLBONGOS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3CCCCCCC(=O)NO)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMGVPCWEIDZHF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3CCCCCCCC(=O)NO)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDFOPOLZHXGIW-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3ccc(C(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNXYBJKGKYGER-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2ccc(C(=O)NO)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGYFFCOYBGQRAT-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCc3ccc(C(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXLIIGSXPPSOO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3CCc2ccc(C(=O)NO)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMIMLGQXEFPMRD-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCCc3ccc(C(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHAWXEVOLNLZAS-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENMZDAJCRYRCC-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCc3ccc(C(=O)Nc4ccccc4N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEAUZIRLCKZIH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3CCc2ccc(C(=O)Nc3ccccc3N)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWBMVULUIEYGH-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCOc3ccc(C(=O)Nc4ccccc4N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEDJWZWKTKFZRY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCCc3ccc(C(=O)Nc4ccccc4N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQKWUECNIOOYFI-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCCOc3ccc(C(=O)Nc4ccccc4N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVPCIUEQCSSIG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3CCCOc2ccc(C(=O)Nc3ccccc3N)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HADMBUXJGCALMH-BQYQJAHWSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3ccc(/C=C/C(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNUGYXIXXNAOC-VOTSOKGWSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3cccc(/C=C/C(=O)NO)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALUBLBMIZNEPIT-SOFGYWHQSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2cccc(/C=C/C(=O)NO)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRUUELOIJDTEB-ZHACJKMWSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3cccc(/C=C/C(=O)Nc4ccccc4N)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVQUQVIRJTUQZ-ZRDIBKRKSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2cccc(/C=C/C(=O)Nc3ccccc3N)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXBLBFPUOSWBDU-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCC(=O)NO)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVNSTORMBQZHN-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCC(=O)NO)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMVLBFIXXFEJN-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCCC(=O)NO)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPWNNYVQUWXJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2cccc(OCCCCC(=O)NO)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLGPVKAUWJSGET-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2cccc(OCCCCCC(=O)NO)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQQHFAKUWFGCW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2cccc(OCCCCCCC(=O)NO)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEKCUYWHVMRDNV-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCC(=O)NO)n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGJPVLKHNPFFV-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCC(=O)NO)n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDWUHDIGLJGCG-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCCC(=O)NO)n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWGVHNEPISDJV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2cccc(OCCCCC(=O)NO)n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIAWMPGAVAUAC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2cccc(OCCCCCC(=O)NO)n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDDVKHINJTHNY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2cccc(OCCCCCCC(=O)NO)n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQFOUVHOGXLPQ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3ccc(N)c(OCCCCCCC(=O)NO)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AURVZVCNNNFNKZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2ccc(N)c(OCCCCCCC(=O)NO)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYWCVSFKVGGQAG-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(CCOc3ccc(C(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXEWOCGXCBSYAD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc3c2cnn3Cc2ccc(C(=O)Nc3ccccc3N)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDWKSXJHGIFRL-VAWYXSNFSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3ccc(/C=C/C(=O)Nc4ccccc4N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNFGFLAUBFYEP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVMTIIWJDNJTG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFKCWRLNKAMER-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCC(=O)NCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGROPBOFRPYTSY-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCCC(=O)NCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULJWWXLSFUQQH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCCCC(=O)NCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQPUUPNSVBDCBQ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCc3ccc(C(=O)NCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKTXOTNIEKLWFM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2)c2cc(C(=O)NCc3ccc(C(=O)NCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSKJSMYQBVCPR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(C(C)(C)O)c2)c2cc(C(=O)NCc3ccc(C(=O)NCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCNSBZXEZZGTJU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)NCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIGWOALAMGUGD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2OC2CC2)c2cc(C(=O)NCc3ccc(C(=O)NCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJXUCIJZAVROI-UHFFFAOYSA-N", "SMILES:C=C(C)c1ccc(OC(C)C)c(-c2cn(C)c(=O)c3[nH]c(C(=O)NCc4ccc(C(=O)NCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVDBDYVHBZGPP-UHFFFAOYSA-N", "SMILES:C=C(C)c1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]c(C(=O)NCc4ccc(C(=O)NCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYTXMVDYCNZAK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)NCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFGIQVMSSJKET-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(C)(C)O)ccc2OC2CC2)c2cc(C(=O)NCc3ccc(C(=O)NCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAAAVQUHXUWNR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccccc2)c2cc(C(=O)NCc3ccc(C(=O)NCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNTVOAQOGRLQB-JJMBTQCASA-N", "SMILES:COc1cc(C(=O)NCCOCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFCRKESJGXTNRJ-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C2CC3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1698776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQWIHMDQBNBBE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(c2)C2CC3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKOFAGMIMGCMM-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)C1CC2CCCN1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONAFBVDWEXCSIP-UHFFFAOYSA-N", "SMILES:OCCCN1CCCC2CC1c1cc(-c3ccc(C(F)(F)F)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUMZXXYFKNNBD-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2cccc(C3CCCCN3C(=O)OCc3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKWSAMLCSOYOCS-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)N1CCCCC1c1cccc(N2CCN(C3CCCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOGFGMCKFYYEE-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)N1CCCCC1c1cccc(N2CCN(CCCO)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVLUPHCHVGISN-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCN1CCN(c2cccc(C3CCCCN3C(=O)OCc3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDTJVMCRGPIXPC-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc(C3CCCCN3C(=O)OCc3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGHXXFQMHFSUAW-UHFFFAOYSA-N", "SMILES:CCCN1CCNC(c2cccc(C3COCCN3C(=O)OCc3ccccc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEAHRMVLQDOFBM-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)N1CCOCC1c1cccc(N2CCN(C3CCCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYQOWDCWPBGAEZ-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)N1CCOCC1c1cccc(N2CCN(CCCO)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLWPAPPLOVGZLY-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2cccc(C3CN(C)CCN3C(=O)OCc3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNPKGZXYOLQKNS-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)OCc2ccccc2)C(c2cccc(N3CCN(C4CCCC4)CC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTWQAEMTIFAFDU-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)OCc2ccccc2)C(c2cccc(N3CCN(CCCO)CC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLNOSQWPXXWXIP-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2cccc(C3CCCCN3C(=O)OCc3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOOUTTZIAYDSP-CCEZHUSRSA-N", "SMILES:CCCN1CCN(c2cccc(C3CCCCN3C(=O)/C=C/c3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFQMBJQZZAKNP-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2cccc(C3CCCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCDUPODHNHJOJ-XNWUTOGOSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "3-hydroxy-3-methylglutaryl-coenzyme A reductase", "xref": ["CHEMBL.TARGET:CHEMBL5169105"], "id": "UniProtKB:P00347", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJDHCCTQDBUFE-YJXBVISESA-N", "SMILES:C=CCC(O)(CC=C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCYCSCDMZGMCLR-BPJZVGOOSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKANVCCOGLUFB-DAMQFFQQSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZMOTYYFXLLQE-GBDGOIJOSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5nonc5C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JINOSCLDPVNUCB-FKEQPXBVSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5sc(N)nc5C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOXOVBHWUHUTBM-DOTGSZBPSA-N", "SMILES:Cc1nc2c(s1)C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOFYSPZYUJOYQA-XPURWXCWSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5nccnc5C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCORYKBQCMCRKQ-OKVPBLLOSA-N", "SMILES:CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(cnn5C(C)=O)C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYOOUVQHMYAFJP-MNXOJTGISA-N", "SMILES:CCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(cnn5C(C)=O)C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXUVGZOXEZCUMD-YQTAFZBHSA-N", "SMILES:CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(cnn5C(C)=O)C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAJRCFPTXRDVJM-QTONFSSZSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)NC5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBLGFXDUMALLT-HFSKIGCYSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)NCCN5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALHNOPGTBGCID-JFSWXKILSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCCCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFAGXNKZKGGREZ-DAMQFFQQSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSROBIJVCIDZOF-HFGGDGKSSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)Nc5ncc([N+](=O)[O-])s5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAXPSPJCIKSORN-QITBFIJOSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)Nc5ncc(C)s5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPHULNDUWAVFG-CJXNGAFUSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)Nc5nc6ccccc6s5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSFOHXXXAMNJBS-AGVBZOQSSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)Nc5nc6c(C)cccc6s5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFSTZRCUIVBRJ-USFHAGJXSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)Nc5ccc(C)cc5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVEPBHCCAMNFBU-MDEXZEJYSA-N", "SMILES:CC(=O)n1ncc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)Nc5ccccc5C)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHBZKNYVLFSRML-YAXUPDDGSA-N", "SMILES:CC(=O)N1CCC(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C(C)(C)c6c(cnn6C(C)=O)C[C@]5(C)[C@H]4CC[C@]23C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITSATDPGRQAHL-LQAZZROPSA-N", "SMILES:CCOC(=O)c1n[nH]c2c1C[C@@]1(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]31)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZIAVZKUUFCEY-LQAZZROPSA-N", "SMILES:CCOC(=O)c1noc2c1C[C@@]1(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]31)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPWEWRMRHKRDP-VFWZBJTGSA-N", "SMILES:C[C@H](CCC(=O)N1CCOCC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5nnsc5C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISWASSOYCZSSNY-NJCCJZKLSA-N", "SMILES:C[C@H](CCC(=O)N1CCOCC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5nc(N)ncc5C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZYMDGITPXKEN-NJCCJZKLSA-N", "SMILES:Cc1nc2c(o1)C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKFDJNLZHYVCSG-BINTUECVSA-N", "SMILES:CC(=O)n1cnc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHGPLBNMJBDSJM-NJCCJZKLSA-N", "SMILES:CC(=O)n1cnc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIQHMJLUKTZGK-NWWCLGBMSA-N", "SMILES:CC(=O)n1cnc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFQPFMBQGNTDSV-CQBGNDNJSA-N", "SMILES:CC(=O)n1cnc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUZLKKDBBWFIMO-YBHWBILDSA-N", "SMILES:CCC(=O)n1cnc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVVZYZBXJIASFJ-UCOYUEEVSA-N", "SMILES:CC(C)C(=O)n1cnc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGNCDGHDWLIPF-UCOYUEEVSA-N", "SMILES:C=C(C)C(=O)n1cnc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCTYIKCMZIFNME-UCOYUEEVSA-N", "SMILES:CCCC(=O)n1cnc2c1C(C)(C)C1=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBULKSSJWYOFBQ-PRIFARSNSA-N", "SMILES:CCC(O)(CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(ncn5C(C)=O)C[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAGQCIIYLUOIEW-GSUXFOCASA-N", "SMILES:CC(=O)n1cnc2c1C(C)(C)C1=C[C@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWTULHIACDJEB-BYGLVFFLSA-N", "SMILES:CC(C)C(=O)n1cnc2c1C(C)(C)C1=C[C@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCOCC5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYVPJVVEVRCNQ-HQSTUDPASA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUGYSCPDXHKSO-IUPFMSFUSA-N", "SMILES:CCC(O)(CC)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPLLZSOEZAVGBO-XHBYIXHHSA-N", "SMILES:C=CCC(O)(CC=C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFPWXIRFVXRGAW-NYXIYWNGSA-N", "SMILES:C[C@H](CCCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWJLERZQBCCSLO-QTFHYKCZSA-N", "SMILES:CCC(O)(CC)CCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYKGHPPJVXDFH-HNNXBMFYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N[C@H]3CCOC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIVIEKZMNWLDJH-KRWDZBQOSA-N", "SMILES:Clc1cccc(Cn2ccc3c(N[C@H]4CCOC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCYHPJZGXNZECI-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cn2ccc3c(NC4CCOCC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFLQHHNUXEXQB-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccc3c(NC4CCOCC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBQISXWGDOECAN-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cn2ccc3c(NCC4CCCO4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHIIYLTRPHBJY-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cn2ccc3c(NCC4CCOC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWGKRMRSGIELS-UHFFFAOYSA-N", "SMILES:COC1CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVIVACZRDNLHDM-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccc3c(N4CCC(OC)CC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMSZCTWJSSBAGE-UHFFFAOYSA-N", "SMILES:COC1CCCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYVGICUPJGLOLB-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cn2ccc3c(N4CC5(COC5)C4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLAYJYSKVUBHQ-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2ccc3c(N4CCC5(COC5)C4)nc4ccccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBOWPNFQJIJOY-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cn2ccc3c(N4CCC5(COC5)C4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJHFDWITXJWJAU-UHFFFAOYSA-N", "SMILES:OC1CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMTWAQBOIRBAE-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccc3c(N4CCC(O)CC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWKZHHQAMBFFCL-UHFFFAOYSA-N", "SMILES:OC1CCCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXMFXPESRHHIY-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc2ccccc2c2c1ccn2Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKKVQHSSLZVNAS-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTRQUFYNVIDZPU-UHFFFAOYSA-N", "SMILES:COC1CCN(c2nc3ccccc3c3c2ccn3Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOQOEVIDEBVQLT-UHFFFAOYSA-N", "SMILES:COC1CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWWOSJDDOKKHQ-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cn2ccc3c(N4CCCCC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNPRIGRJTAJNIR-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(c2nc3ccccc3c3c2ccn3Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXNKBDLKDUDEMO-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cn1ccc2c(N3CCC(F)(F)CC3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWFJCELZRTVHIZ-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(c2nc3ccccc3c3c2ccn3Cc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVDUIWWLVQCDN-UHFFFAOYSA-N", "SMILES:Fc1cccc(Cn2ccc3c(N4CCC(F)(F)CC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YELDFRSNQMJKNL-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccc3c(N4CCC(F)(F)CC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDMOOLFSHANDRA-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2ccc3c(N4CCC(F)(F)CC4)nc4ccccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRFMHDQLHXBHU-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(c2nc3ccccc3c3c2ccn3Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRCJPDAMPOLGQC-UHFFFAOYSA-M", "SMILES:Cc1cc(C)cc(NC(=O)[N-]S(=O)(=O)c2cc(C(C)(C)O)co2)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLZMISPZTHBFLE-UHFFFAOYSA-M", "SMILES:CC(C)(O)c1coc(S(=O)(=O)[N-]C(=O)NC2c3ccccc3-c3ccccc32)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMECNBDQECUWEB-UHFFFAOYSA-M", "SMILES:Cc1ccccc1NC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)O)co1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNNEQCTKYIBPB-UHFFFAOYSA-M", "SMILES:Cc1cccc(NC(=O)[N-]S(=O)(=O)c2cc(C(C)(C)O)co2)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WONKMEINTGDXNL-UHFFFAOYSA-M", "SMILES:Cc1ccc(NC(=O)[N-]S(=O)(=O)c2cc(C(C)(C)O)co2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQWODMFTLNQBZ-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)[N-]S(=O)(=O)c2cc(C(C)(C)O)co2)cc(OC)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCPFBQVWBIQLW-UHFFFAOYSA-M", "SMILES:CC(C)(O)c1coc(S(=O)(=O)[N-]C(=O)Nc2ccc3c(c2)CCC3)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRZXBIDIURORJQ-UHFFFAOYSA-M", "SMILES:COc1ccccc1NC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)O)co1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQJHUGWJJGSMF-UHFFFAOYSA-M", "SMILES:CC(C)(O)c1coc(S(=O)(=O)[N-]C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFDLJSQMPCWKK-RBRUHCLLSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC1[C@]23C=C[C@]2(C[C@@H](OC(=O)CBr)CC[C@]12C)n1c(=O)n(C)c(=O)n13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQGGHIOZAPIQO-QHOGLUOCSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKNVPAJAICFKL-YIZWONDUSA-N", "SMILES:CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHXBJLIBJDJMV-RAEQEVBASA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMQARNNOLSBJMA-VIONFHLBSA-N", "SMILES:CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVIPPJOIJYVFMK-NHAYSBRJSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2370964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSDYWWDQJYPQDS-KQWISETMSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2370968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSQVRSYAGAZPG-MBXNTMTISA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZVWJVDDMNYSPR-LMHASDJUSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMSSRUBSGSKAFS-IPIAHOSKSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYFCMKBTSFCJY-AZGAKELHSA-N", "SMILES:COc1ccc(CN2C[C@H](O)[C@@](Cc3ccc(F)cc3)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXQSBPSXFNICZ-RBBKRZOGSA-N", "SMILES:CCC[C@]1(c2ccc(S(C)(=O)=O)cc2)C(=O)N(Cc2ccc(OC)cc2)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEJVJCOYXTIJG-JTHBVZDNSA-N", "SMILES:COc1ccc(CN2C[C@H](O)[C@@](CC(C)C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWBOXJMPKMVGC-LADGPHEKSA-N", "SMILES:COc1ccc(CN2C[C@H](O)[C@@](CCC(C)C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSQASKWJUAYNR-AHKZPQOWSA-N", "SMILES:COc1ccc(CN2C[C@H](O)[C@@](CCC(C)C)(c3ccc(S(C)(=O)=O)cc3OC(C)C)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVYMLIPGZJSRF-YDOVEJIGSA-N", "SMILES:COc1ccc(CN2C[C@H](O)[C@@](CCC(C)C)(c3ccc(S(C)(=O)=O)cc3O[C@@H](C)CO)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYFCMKBTSFCJY-AOYPEHQESA-N", "SMILES:COc1ccc(CN2C[C@@H](O)[C@@](Cc3ccc(F)cc3)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1324296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDXOGDIPZSCTM-UHFFFAOYSA-N", "SMILES:COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVAEEIQDCTMOG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKCXVSBMMYPENO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(C(=O)c3nccs3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWXYUFQKPJMQEC-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc(C(=O)c2c[nH]c3ccccc23)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5185943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDHOXVYQNBYDQB-UHFFFAOYSA-N", "SMILES:OCc1csc(C(O)c2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFAXQDPHTLZIOG-UHFFFAOYSA-N", "SMILES:CC(=O)n1cc(C(=O)c2nccs2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBZWDWMNZZULHA-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)c2nccs2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3259980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFYPIVYFSGGXGT-UHFFFAOYSA-N", "SMILES:O=C(c1nccs1)c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5171196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMHVMLLTSDUFBZ-UHFFFAOYSA-N", "SMILES:C=CCn1cc(C(=O)c2nccs2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZGEXXXBPAOJD-UHFFFAOYSA-N", "SMILES:O=C(c1nccs1)c1cn(C(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTMALSKPTFHURW-UHFFFAOYSA-N", "SMILES:O=C(c1nccs1)c1cn(Cc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDEFOIVVRLFZRP-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2cc(C(=O)c3nccs3)c3ccccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDDNPSOEAGHDI-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTZXRMCYPMGDN-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVSOMULEPSJRTO-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCICKEKDYPJZJE-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNPWAKYZYTRQU-UHFFFAOYSA-N", "SMILES:CC1Cc2cc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGXPLTZWPQMAD-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMYWWZSAUHYHKM-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDMGNCZSOFLHW-UHFFFAOYSA-N", "SMILES:CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNZCKTLRAXXDNH-UHFFFAOYSA-N", "SMILES:Cc1cnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBAJUUMIEBLYEE-UHFFFAOYSA-N", "SMILES:Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJLNGNOEHXUILR-UHFFFAOYSA-N", "SMILES:Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTCQMOJOPFIDX-UHFFFAOYSA-N", "SMILES:CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGBSPSWAMZQNS-UHFFFAOYSA-N", "SMILES:CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKQDOPXTFZYKSP-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWOBICLIJJMKP-UHFFFAOYSA-N", "SMILES:Cn1ccnc1C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQCFIDRQAWGLHG-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CSc2nccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELHHTCITLAVHH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CCc2nccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRJWPOSFROWYAF-UHFFFAOYSA-N", "SMILES:Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQBWJILECLRIY-GJZGRUSLSA-N", "SMILES:C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWXZKSDFCSPEBK-ZBFHGGJFSA-N", "SMILES:Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUNNHAGSZHBJG-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQTXMYKTSATUOJ-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1CCC(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFDDCBTYQFBSRX-XYPWUTKMSA-N", "SMILES:Cn1ccnc1SC1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZXDQOQARRMCM-UHFFFAOYSA-N", "SMILES:Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPFUDXLAJFMBK-UHFFFAOYSA-N", "SMILES:Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCIXAWJJPYQLKO-QQDCSIODSA-N", "SMILES:Cn1ccnc1[S+]([O-])C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDQAEAXNQUPPZ-ZBFHGGJFSA-N", "SMILES:Cn1ccnc1S(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3185781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMYDHMCYZKRDPD-AWEZNQCLSA-N", "SMILES:CC(=O)c1cccc(OCc2cc(C(=O)N(C)[C@@H](C)c3ccccn3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSLRELXMCKGCB-DEOSSOPVSA-N", "SMILES:Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGXLUQJIJDNCDC-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVBDSVORMZBHSM-UHFFFAOYSA-N", "SMILES:Cc1csc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWWDHCVTYNNBTR-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUVRBTVXFTOCJ-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYBGSRCFWGEOKR-UHFFFAOYSA-N", "SMILES:COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCGQDMFXDSWHSZ-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUQSXKYHXBFEG-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1CCN(S(=O)(=O)c2cccc3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJNDYSHLLWCKE-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGNHXYCLUMQSKR-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2nc(-c3ccccc3)cc(-c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQPDSCTIBVQOR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)n[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSOWJRXMRBFIE-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(-c3ccccc3)c3c(N)n[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMSQLHIUVNVBGZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccccc3)nc3[nH]nc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPDWWGANZAJKX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3cccc(OC)c3)nc3[nH]nc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPFNBHARCBAOR-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYCHYHLISHJKG-LJQIRTBHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBJKPRTJDONOS-HJPURHCSSA-N", "SMILES:COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N([C@@H](C)c2cccc(Cl)c2)C3=O)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2402573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZGGSIFAMXPIG-CPASSRBFSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]1(C#N)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601398", "category": ["biolink:ChemicalEntity"], "name": "CGM-097", "xref": ["InChIKey:CLRSLRWKONPSRQ-IIPSPAQQSA-N", "SMILES:COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2"], "synonym": ["Cgm-097", "Cgm097", "CGM 097", "CGM-097", "CGM097", "NVP-CGM-097"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSVXCPWDMIREAJ-DEOSSOPVSA-N", "SMILES:C[C@@H](c1ccc(Cl)cc1Cl)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cc(C(=O)O)ccc2N2CCC(N3CCCOC3=O)CC2)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIGDJCVLXFSBP-LJQIRTBHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTLUCFWZSRECR-HNZCNSHZSA-N", "SMILES:CCNC[C@]1(c2ccc(Cl)cc2F)[C@H](CC(C)(C)C)N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2OC)[C@@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOCFRNYQGYAKHB-QGHWIGIDSA-N", "SMILES:CCCNC[C@]1(c2ccc(Cl)cc2F)[C@H](CC(C)(C)C)N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2OC)[C@@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEIWKYHJMFORH-UTIWSPQHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCC(=O)O)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZSLHQNWGRMOZ-HNZCNSHZSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNC(C)=O)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHPQQSZQGUOUAS-PAEDPNNGSA-N", "SMILES:CCC(=O)NC[C@]1(c2ccc(Cl)cc2F)[C@H](CC(C)(C)C)N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2OC)[C@@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTHDAGKVXVWKL-ZFHKOKEKSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNC(=O)C2CC2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTXBNAPVSVQXDD-OJABCDTNSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNC(=O)C(=O)O)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPVNEZMVHXMRL-UTIWSPQHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNS(=O)(=O)CC(=O)O)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLZIAGOKOYYYPM-HYPAZGOZSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccccc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFDYYYDRTUPTP-HYPAZGOZSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccccc2O)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVLVXOHPVNJAAP-HYPAZGOZSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2cccc(O)c2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKSWCPFEKSWJCE-HYPAZGOZSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccc(O)cc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMKLSFZTLIXHR-FCTXCRTPSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccccc2C(=O)O)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZRQNWWLGEVAO-FCTXCRTPSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2cccc(C(=O)O)c2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIIUFEVRFCDQDO-FCTXCRTPSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccc(C(=O)O)cc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKFAZOWTXPCVFJ-GXFZAZKKSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccccn2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBKNMMOQCPQLRA-GXFZAZKKSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2cccnc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBACXUKBTJKWLY-GXFZAZKKSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAIMFHHEIBGVAV-CBOGTRIESA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2cnn(C)c2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDDBHCDHHFFBJD-JNHBBQSGSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2cnc[nH]2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJXDSLJECXYDEY-GXFZAZKKSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCC2CCNCC2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWRABQZPIGPPKS-GXFZAZKKSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCC2CCOCC2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDXJLXZGEZCTNL-GXFZAZKKSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNC2CCN(C)CC2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUJXTBWSALIBRY-CBOGTRIESA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNC2CCOCC2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNAPUBHXDSXOI-QXVSIQMFSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNC(=O)c2ccccc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHTQFHABLLMSJN-CBWRIEIJSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNC(=O)c2ccc(C(=O)O)cc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQHPSFCZJJGAD-QXVSIQMFSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNS(=O)(=O)c2ccccc2C(=O)O)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVJRINPRHWGEEN-QXVSIQMFSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNS(=O)(=O)c2cccc(C(=O)O)c2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSEXNCWXGFMNCE-QXVSIQMFSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNS(=O)(=O)c2ccc(C(=O)O)cc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJFZUNYBUCTHA-GPPWUIAPSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNS(=O)(=O)c1cccc(C(=O)O)c1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADABJQRYLTVWQD-QXVSIQMFSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFNBDHZVNWSVHQ-XIWNBUHBSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNc1ccc(CC(=O)O)cc1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYCHPSLYHLLJB-ZOOBUILVSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNc1ccc(O)nc1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTIKUOFJAOKSI-GPPWUIAPSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNc1cccc(C(=O)O)c1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFDPRQPDHHTIGZ-JNHBBQSGSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNc1cccnc1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMRJWCBIVNQQJ-FWULRAEBSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CN[C@H]1CC[C@H](O)CC1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJVXKFRDDISGSK-ULWUHOHFSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNCCO)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJKRAMZMRLBTD-LJQIRTBHSA-N", "SMILES:CNC[C@]1(c2ccc(Cl)cc2F)[C@H](CC(C)(C)C)N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCCQEEGRHPSPOG-DQGIEBHESA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2ccc(Cl)cc2F)[C@H]1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOPJRLSQNNTHX-DQGIEBHESA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2ccc(Cl)cc2F)[C@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDBCPSKJGZVAJ-GXFZAZKKSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUSSYIVWEQYNOZ-DQGIEBHESA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSDZHCKYMSDQJ-GXFZAZKKSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2cc(Cl)ccc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWZCKIYOHMHTK-UHFFFAOYSA-M", "SMILES:CN(C)c1ccc(/C=C/c2cc(N3CCCCC3)c3ccccc3[n+]2C)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSNMYHREQPTRX-UHFFFAOYSA-M", "SMILES:CC1CCN(c2cc(/C=C/c3ccc(N(C)C)cc3)[n+](C)c3ccccc23)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKNXMNUFMJOJB-KLSJZZFUSA-N", "SMILES:CCCCCNc1cc(/C=C/c2ccc(N(C)C)cc2)[n+](C)c2ccccc12.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBDYWCONLWNIE-UHFFFAOYSA-M", "SMILES:CC1CCN(c2cc(/C=C/c3ccc(N(C)C)cc3)c3ccccc3[n+]2C)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADXSEVDTNPICQ-NRFANRHFSA-N", "SMILES:Cc1c(C#Cc2cnc3ccc(N4CCC[C@H](N)C4)nn23)cccc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABFNRJFFINRBRG-VWLOTQADSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)NC(=O)CCCCCN[C@H]1CCCN(C1)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGWYIRRSPYNAO-SANMLTNESA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)NC(=O)CCCCCCN[C@H]1CCCN(C1)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPWHILWGQVFQJF-MHZLTWQESA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)NC(=O)CCCCCCCN[C@H]1CCCN(C1)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLYMKLGVMLEFL-DEOSSOPVSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)NOCCCCC(=O)N[C@H]1CCCN(C1)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTIMZHRJKXPQP-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)OCCCCC(=O)NCCN(C)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQOUQWQPRPBKN-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)N(C)CCNC(=O)CCCCO4)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUKTWERRDLRGTH-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(CN3CCN(C)CC3)cc(C(F)(F)F)c1)OCCCCC(=O)NCCN(C)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBFERQGFVBNEJ-NOYKIMNZSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZQKBXLYFSZPW-NOYKIMNZSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBBOLJDXZIPOG-NOYKIMNZSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHZMAUNHQDXHJQ-NOYKIMNZSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYJMKTZAMJWCQH-JLHDYFKBSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXAQLIZQHBOAM-NOYKIMNZSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL52011", "category": ["biolink:ChemicalEntity"], "name": "THIODIGALACTOSIDE", "xref": ["InChIKey:SYKYBMOFPMXDRQ-ZFDCCPEWSA-N", "SMILES:OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5176683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTOXXIKJLQBDGH-UXKPLKHMSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)C(C)(C)C)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXSJTJSXVUHKNA-IIXCLMFLSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)c3ccccc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXJCYAIBXIPIBF-PHGQORFOSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSQGBSXKSCONPO-JMAUVIMASA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(/C=C/c3cc(OC)cc(OC)c3/C=C/[N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJRZERSZHCTXGH-UYICEXLRSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADBKQIFIPDHZBV-UYICEXLRSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAEGMYBWCQDTIP-UYICEXLRSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPILZOYLIVPFSF-TZOAMJEDSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)c3ccccn3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOPNWVAJWVCASY-CQYWEGEGSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)c3ccco3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQHNRNICVKHWAA-CQYWEGEGSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)c3cccs3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXQYLBIUSWNGX-YWAAFRSESA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)c3ccoc3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPYZJHHZFKMKGA-WPLHEFJGSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)c3ccc(C)o3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHVYPNAYUUMCEC-CQYWEGEGSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)C3CCCO3)cc2)c(/C=C/[N+](=O)[O-])c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNSYOPBWXMDBE-JOCHJYFZSA-N", "SMILES:Cc1ccc(Cn2cc(CCC(=O)Nc3nnc(N4CC[C@@H](Nc5nnc(NC(=O)Cc6ccccc6)s5)C4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVDEYQLEKNTPL-OAQYLSRUSA-N", "SMILES:COc1ccc(Cn2cc(CCC(=O)Nc3nnc(N4CC[C@@H](Nc5nnc(NC(=O)Cc6ccccc6)s5)C4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTDPYWUOJHOMHA-OAQYLSRUSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(c3nnc(NC(=O)CCc4cn(Cc5ccc(C(F)(F)F)cc5)nn4)s3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUSGZURQRIDBC-HXUWFJFHSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(c3nnc(NC(=O)CCc4cn(Cc5ccc(OC(F)(F)F)cc5)nn4)s3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNCYRSARDWPPZ-LJQANCHMSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(c3nnc(NC(=O)CCc4cn(-c5ccc(C(F)(F)F)cc5)nn4)s3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWXQNMZYXHYIKW-HSZRJFAPSA-N", "SMILES:Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(N4CC[C@@H](Nc5nnc(NC(=O)Cc6ccccn6)s5)C4)nn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWBLYNFETZSRE-JOCHJYFZSA-N", "SMILES:COc1ccc(Cn2cc(CCC(=O)Nc3ccc(N4CC[C@@H](Nc5nnc(NC(=O)Cc6ccccn6)s5)C4)nn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKYUCWXRDPEMHZ-JOCHJYFZSA-N", "SMILES:O=C(CCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)Nc1ccc(N2CC[C@@H](Nc3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDIEWVKDRCJLV-HSZRJFAPSA-N", "SMILES:Cc1cccc(C)c1Cn1cc(CCC(=O)Nc2ccc(N3CC[C@@H](Nc4nnc(NC(=O)Cc5ccccn5)s4)C3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYJNWKUWHHOSO-JOCHJYFZSA-N", "SMILES:COc1ccc(Cn2cc(CCC(=O)Nc3ccc(N4CC[C@@H](Nc5nnc(NC(=O)Cc6ccccn6)s5)C4)nn3)nn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNSDSPPTNWLCK-OAQYLSRUSA-N", "SMILES:O=C(CCc1cn(Cc2ccc(OC(F)(F)F)cc2)nn1)Nc1ccc(N2CC[C@@H](Nc3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNSYOPBWXMDBE-QFIPXVFZSA-N", "SMILES:Cc1ccc(Cn2cc(CCC(=O)Nc3nnc(N4CC[C@H](Nc5nnc(NC(=O)Cc6ccccc6)s5)C4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVDEYQLEKNTPL-NRFANRHFSA-N", "SMILES:COc1ccc(Cn2cc(CCC(=O)Nc3nnc(N4CC[C@H](Nc5nnc(NC(=O)Cc6ccccc6)s5)C4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTDPYWUOJHOMHA-NRFANRHFSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N[C@H]2CCN(c3nnc(NC(=O)CCc4cn(Cc5ccc(C(F)(F)F)cc5)nn4)s3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUSGZURQRIDBC-FQEVSTJZSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N[C@H]2CCN(c3nnc(NC(=O)CCc4cn(Cc5ccc(OC(F)(F)F)cc5)nn4)s3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNCYRSARDWPPZ-IBGZPJMESA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N[C@H]2CCN(c3nnc(NC(=O)CCc4cn(-c5ccc(C(F)(F)F)cc5)nn4)s3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWVANYXZMJEBHW-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(N4CCC(Nc5nnc(NC(=O)Cc6ccccn6)s5)CC4)nn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLNDLCQRFUHEAA-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(CCC(=O)Nc3ccc(N4CCC(Nc5nnc(NC(=O)Cc6ccccn6)s5)CC4)nn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVSWQOHFTHOBRW-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)Nc1ccc(N2CCC(Nc3nnc(NC(=O)Cc4ccccn4)s3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZROIVVWOROCV-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(Cc2ccc(OC(F)(F)F)cc2)nn1)Nc1ccc(N2CCC(Nc3nnc(NC(=O)Cc4ccccn4)s3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYRAGZOTLCIGJD-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Cn1cc(CCC(=O)Nc2ccc(N3CCC(Nc4nnc(NC(=O)Cc5ccccn5)s4)CC3)nn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJTLZIMRUNKBQU-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(CCC(=O)Nc3ccc(N4CCC(Nc5nnc(NC(=O)Cc6ccccn6)s5)CC4)nn3)nn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXMDAHLWBYAOAA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(CCC(=O)Nc3nnc(N4CCC(Nc5nnc(NC(=O)Cc6ccccc6)s5)CC4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSXAOHRUHHZEO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(CCC(=O)Nc3nnc(N4CCC(Nc5nnc(NC(=O)Cc6ccccc6)s5)CC4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJFKTUKLOQRCF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(NC2CCN(c3nnc(NC(=O)CCc4cn(Cc5ccc(C(F)(F)F)cc5)nn4)s3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXZETKUBBBJGC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(NC2CCN(c3nnc(NC(=O)CCc4cn(Cc5ccc(OC(F)(F)F)cc5)nn4)s3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFCPAHSEXBEQNZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Cn1cc(CCC(=O)Nc2nnc(N3CCC(Nc4nnc(NC(=O)Cc5ccccc5)s4)CC3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJLNGMYHVROAKJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(CCC(=O)Nc3nnc(N4CCC(Nc5nnc(NC(=O)Cc6ccccc6)s5)CC4)s3)nn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKYZIKEIRAFFU-RUZDIDTESA-N", "SMILES:CO[C@@H](C(=O)Nc1nnc(NC2CCN(c3nnc(NC(=O)CCc4cn(CC5=CC=C(C(F)(F)F)CC5)nn4)s3)CC2)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YESMYIXLAAYNEK-VWLOTQADSA-N", "SMILES:CO[C@H](C(=O)Nc1nnc(NC2CCN(c3nnc(NC(=O)CCc4cn(Cc5ccc(C(F)(F)F)cc5)nn4)s3)CC2)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWJFNOVDFWWDX-DEOSSOPVSA-N", "SMILES:CO[C@H](C(=O)Nc1nnc(NC2CCN(c3nnc(NC(=O)CCc4cn(-c5ccc(C(F)(F)F)cc5)nn4)s3)CC2)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWJHGMURRPTFOV-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(NC2CCN(c3nnc(NC(=O)c4ccn(Cc5ccc(C(F)(F)F)cc5)n4)s3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZTVMRSKUPCTK-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(NC2CCN(c3nnc(NC(=O)c4nccn4Cc4ccc(C(F)(F)F)cc4)s3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEZWCFLEOPIAKW-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWHYKFUMXGXUGY-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc(Nc3ccc(-c4ccsc4)cn3)nc2Nc2cccc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLIRJGICJWIFU-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTKAVNDDWAVVLR-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cnc(Nc3ccc(-c4ccsc4)cn3)nc2Nc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKADAAAFTZQKFR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cnc(Nc3ccc(-c4ccsc4)cn3)nc2Nc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMOZEVVIADAAHC-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2cnc(Nc3ccc(-c4ccsc4)cn3)nc2Nc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLIHNXRVQWYBQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccsc4)nc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZZIRPQJBKCZNK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccsc4)nn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNBRBPQHIBQIE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(-c2ccsc2)cnc1Nc1ncc(Cl)c(Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLSMFDJMEDXHOJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4cccs4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQPZTULIQBFIM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3cc(-c4ccsc4)ccn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDVAFDKKPSJHP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3cccc(-c4ccsc4)c3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZKDIFHYZBRTOT-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCXPFRFZAKBPW-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDKOGQVVSSEPE-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQXTKKNEIPCJE-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTUHWQKBTYQZAJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNTRCGCSHPFXBU-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYLAESYOQQVDV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(CNc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNKDMJBFHJGJJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKADYGVZEMHTGP-UHFFFAOYSA-N", "SMILES:Nc1cccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQNZKKXJBMSBJE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVEIEBFUSJRUSP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQRJFCFZLHISBO-UHFFFAOYSA-N", "SMILES:Clc1cnc(Nc2ccc(-c3ccsc3)cn2)nc1Nc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZYMYTQHMMTSON-UHFFFAOYSA-N", "SMILES:Clc1cnc(Nc2ccc(-c3ccsc3)cn2)nc1NC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMZEWNZGULGJE-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)=NN1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHBSBNDBGZHUGX-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=NN(c2ccccn2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCBKGGEHPORIW-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cccc(C(F)(F)F)c2)=NN1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXWBEIPEDHYRHM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYMVCDGPPOAVAW-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(C(F)(F)F)cc2)=NN1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGUOGUFWHCKXAA-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(Cl)cc2)=NN1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBHSZRHNIUMON-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAMBPXFOZYDURC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCSRIMAVKHLMF-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(Cl)cc2Cl)=NN1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVSAWKECCAIKA-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(Cl)c(Cl)c2)=NN1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVUSXQIKGJNWQN-UHFFFAOYSA-N", "SMILES:O=C1CC(C23CC4CC(CC(C4)C2)C3)=NN1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMYSKQWKJIJMR-UHFFFAOYSA-N", "SMILES:CC1=NN(c2ccccn2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSJQXGATKBPUBO-UHFFFAOYSA-N", "SMILES:O=C1CC(C23CC4CC(CC(C4)C2)C3)=NN1c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFDCUOYHHZSVET-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2c(c1)CCCN2C(=O)CCl)NCCCCCCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204860", "category": ["biolink:ChemicalEntity"], "name": "MATRINE", "xref": ["InChIKey:ZSBXGIUJOOQZMP-JLNYLFASSA-N", "SMILES:O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4075936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFKWGIBQMHSOH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGHQJOINPWCINO-UHFFFAOYSA-N", "SMILES:CCCCc1nc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIXQYBLJJICSQJ-UHFFFAOYSA-N", "SMILES:CCCCn1nc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)cc1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXMBUEWEYXKQBU-UHFFFAOYSA-N", "SMILES:CCCCc1sc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDWBSJHFJGZCW-UHFFFAOYSA-N", "SMILES:CCCCc1sc(C2CCN(Cc3c[nH]c4ccc(C#N)cc34)CC2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSZRZAQHLUSDF-UHFFFAOYSA-N", "SMILES:CCCCc1sc(C2CCN(CCCCc3cn(C)c4ccc(C#N)cc34)CC2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNGCJSVLAMOZAY-UHFFFAOYSA-N", "SMILES:CCc1nc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSMPMBRIFHYNK-UHFFFAOYSA-N", "SMILES:CCCc1nc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRTQRXWDGUKOQQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCC(c4cn(-c5ccc(Oc6ccc(Cl)cc6)cc5)c(C5CCC5)n4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWLMRISRKJELDA-UHFFFAOYSA-N", "SMILES:CCCCc1nc(C2CCN(Cc3c[nH]c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFADPNORWLIFAL-UHFFFAOYSA-N", "SMILES:CCCCCc1nc(C2CCN(CCCCc3cn(C)c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUCQKBRSLQVOIM-UHFFFAOYSA-N", "SMILES:CCCCn1c(-c2cccc(Oc3ccc(Cl)cc3)c2)nc2cc(N3CCN(CCCCc4c[nH]c5ccc(C#N)cc45)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAHCOHBWXFDIK-UHFFFAOYSA-N", "SMILES:Cc1sc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKIVVMYBVNRBGA-UHFFFAOYSA-N", "SMILES:CCc1sc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGVZAFGLYJQHIB-UHFFFAOYSA-N", "SMILES:CCCc1sc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMIRJADMDOQVJR-UHFFFAOYSA-N", "SMILES:CC(C)c1sc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFUPRBFRFFKQCQ-UHFFFAOYSA-N", "SMILES:CCCCCc1nc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXMXOSUJBXRHLQ-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKAOVNDHKGECNM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCC(c4cn(-c5ccc(Oc6ccc(Cl)cc6)cc5)c(C5CC5)n4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDKACOECHCSPT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCC(c4cn(-c5ccc(Oc6ccc(Cl)cc6)cc5)c(C5CCCC5)n4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLLNPQSUHMCED-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCC(c4cn(-c5ccc(Oc6ccc(Cl)cc6)cc5)c(C5CCCCC5)n4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWGWTTZNKJJTF-UHFFFAOYSA-N", "SMILES:CCCCc1nc(C2CCN(CCCc3c[nH]c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIMTGUUCGCWLK-UHFFFAOYSA-N", "SMILES:CCCCCc1nc(C2CCN(CCCCc3cn(CC)c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVIDOPIJOHLOC-UHFFFAOYSA-N", "SMILES:CCCCCc1nc(C2CCN(CCCCc3cn(CCC)c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4116919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIPJVQTYUSDTG-LDFBIXNTSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@](C)(NC(=O)C(C)C)CCNC(=O)[C@@H](c2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOVLOYCGXNVPI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRXVJVTWZDGSC-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3OC)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTQAEWSOCFZJP-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3O)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISDXSXRXQJIJGT-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cccnc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCAVCMXGKQTZFE-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cccnc3OC)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OABHMYNMKKCFRT-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cc(C)cnc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYVNNSYIUNCYFG-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cccnc3C(F)(F)F)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQPXGTDDZRBHBY-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccncc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANGZQLKLWLJSK-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cc(C)ncc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFBKQFHRTNARGY-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3conc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZACBCSSWKYIC-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cn(C)nc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJBFAEKIPXLKCN-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3c(C)nn(C)c3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPVNRNVCGLYPV-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cc(C)nn3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHEVHQUBLKDXBF-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cn(C)nc3C(F)(F)F)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKWUJVZVJKWFS-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccn(C)c3=N)cc3c2CCN(Cc2cc(OC)cc(OC)c2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFFNVCQAAKSPX-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccnc4)cc3-c3cn(C)nc3C(F)(F)F)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNDJAJCJJIOTQ-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4cnnc4)cc3-c3cn(C)nc3C(F)(F)F)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUGJEQXAKUEAB-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAXXFXKTBIANZ-UHFFFAOYSA-N", "SMILES:CCc1nccn1Cc1cc2c(c(-c3cn(C)nc3C(F)(F)F)c1)CCN(Cc1cc(OC)cc(OC)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKTKUPSGMFKLLQ-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccnc4C(C)C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBGSZQHGTUROL-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(cc(Cn4ccnc4C4CC4)cc3-c3cn(C)nc3C(F)(F)F)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRAJXTAYFDNAPQ-UHFFFAOYSA-N", "SMILES:Cc1nccn1Cc1cc2c(c(-c3cn(C)nc3C(F)(F)F)c1)CCN(Cc1ccccn1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGSKGLJDKCYMOK-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQLMHXRNQWPCBA-UHFFFAOYSA-N", "SMILES:Cc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZNSVNKRAUMUJR-UHFFFAOYSA-N", "SMILES:Cc1cccnc1CN1CCc2c(cc(Cn3ccnc3C)cc2-c2cn(C)nc2C(F)(F)F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKOSBIPAJNHXGY-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNFBQUKKVHYGI-UHFFFAOYSA-N", "SMILES:COc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEGWXZPIWMLBRP-UHFFFAOYSA-N", "SMILES:CCc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLOSEPKLMDGBBB-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN(Cc2cc(OC)ccn2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJWQGWZIAQBFB-UHFFFAOYSA-N", "SMILES:CCc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(CC)nc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJGXPCMCSZPPK-KRWDZBQOSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN([C@@H](C)c2cc(OC)ccn2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJGXPCMCSZPPK-QGZVFWFLSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN([C@H](C)c2cc(OC)ccn2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCIMDILXHOWXJJ-HHHXNRCGSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN([C@@H](c2cc(OC)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URNMGEJXPZLHRK-MHZLTWQESA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN([C@H](c2cc(C)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBTTWUZIOAJQRP-QGZVFWFLSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3)cc3c2CCN([C@H](C)c2cc(OC)ccn2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXFPIASUFJVNS-SANMLTNESA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3)cc3c2CCN([C@H](c2cc(OC)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXFPIASUFJVNS-AREMUKBSSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3)cc3c2CCN([C@@H](c2cc(OC)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLIPDFFYHGAWQE-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCC(O)CC4)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCDHTRYRDKAAFI-SANMLTNESA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCC[C@H]4CO)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSFSOTZMNUYMAK-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(CCO)CC4)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLBYSZZXRCQAC-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCOCC4)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDUAJYTVYZBRM-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(C)CC4)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONNBPJWURFGHA-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCCC4)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGOENKYJWQXFU-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCC(C)CC4)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQJPIBZEGPDFG-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCCCC4)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERVFFNNOXOGKL-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCSCC4)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNAPULDDITHAE-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CNCCO)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEGCMMQGPDMMEG-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN(CCO)CCO)cc3)cn2c1NC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTNWYJJOCRRJPU-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(C)CC4)cc3)cn2c1NC(=O)OCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMOKYHKGWRYOW-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(CC)CC4)cc3)cn2c1NC(=O)OCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBOMFKMOAAQIV-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(CCO)CC4)cc3)cn2c1NC(=O)OCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBYNAMIFNMDQJ-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(C)CC4)cc3)cn2c1NC(=O)OCc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJFKQOJKOXTFC-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(CC)CC4)cc3)cn2c1NC(=O)OCc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVBNVBHUEXMGLN-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(CCO)CC4)cc3)cn2c1NC(=O)OCc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMRCLGFZPFXEV-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCSCC4)cc3)cn2c1NC(=O)OCc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFNWHBOKQBYLX-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCOCC4)cc3)cn2c1NC(=O)OCc1ccc(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KASZIZDWYCJTLZ-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCOCC4)cc3)cn2c1NC(=O)OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOULAWHRFHRZNA-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCN(CCO)CC4)cc3)cn2c1NC(=O)OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJDOSIBOAAJQU-SANMLTNESA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(CN4CCC[C@H]4CO)cc3)cn2c1NC(=O)OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFXMVJCNFRPFAX-UHFFFAOYSA-N", "SMILES:Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN(C)CCO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFZLAUITAVDKC-UHFFFAOYSA-N", "SMILES:Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCC3c3ccccn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRNDVUBKTXJBG-UHFFFAOYSA-N", "SMILES:Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCCC3CO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYXWCPWOVIPDO-RUZDIDTESA-N", "SMILES:Cc1cc(CS(=O)(=O)c2ccc(F)cc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSAINPWSLSKISA-RUZDIDTESA-N", "SMILES:Cc1cc(CS(=O)(=O)c2ccc(Cl)cc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTWCZMVWWUSEHG-RUZDIDTESA-N", "SMILES:Cc1cc(CS(=O)(=O)c2ccc(Br)cc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHRAKPJLNUCLFB-XMMPIXPASA-N", "SMILES:COc1ccc(S(=O)(=O)Cc2cc(C)cc(OCc3ccc(CN4CCC[C@@H]4CO)cc3)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHECMJDLGGYFFW-AREMUKBSSA-N", "SMILES:Cc1ccc(S(=O)(=O)Cc2cc(C)cc(OCc3ccc(CN4CCC[C@@H]4CO)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOMRGLCJZQANT-RUZDIDTESA-N", "SMILES:Cc1cc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIRQFZFVXUEQOX-JOCHJYFZSA-N", "SMILES:Cc1cc(CS(=O)(=O)C2CC2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXQUYWQLHGZBST-HXUWFJFHSA-N", "SMILES:O=S(=O)(CCCCCCCCCCN1CCC[C@@H]1CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQILLQLPIFZPNR-JOCHJYFZSA-N", "SMILES:O=S(=O)(CCCCCCCCCCCCN1CCC[C@@H]1CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNAHFYUSFDOFA-JOCHJYFZSA-N", "SMILES:Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCCCCCN2CCC[C@@H]2CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHQSKHJHGCERD-XMMPIXPASA-N", "SMILES:Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCCCCCCCN2CCC[C@@H]2CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMXMLGCXBJUFK-XMMPIXPASA-N", "SMILES:O=S(=O)(Cc1cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)cc(C(F)(F)F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZHOYGIUZUEII-XMMPIXPASA-N", "SMILES:Cc1cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INENEDGKSJGCFJ-XMMPIXPASA-N", "SMILES:COc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1209617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJANRNMFHNVOW-DCPHZVHLSA-N", "SMILES:C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(-c2noc(CCC3CCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQJKFWCRPARYPY-MOPGFXCFSA-N", "SMILES:OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3546995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYEFLMJWAKFSAI-IBGZPJMESA-N", "SMILES:CCCCCCCCc1ccc(-c2noc(C[C@@H]3CCCN3C(=N)N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXNYDOZBGDDIU-XNIJJKJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOFNQFMGJERLR-IWCJZZDYSA-N", "SMILES:COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFBJTFTIOESKB-IWCJZZDYSA-N", "SMILES:COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHOOYEKZHGHINH-RVXWVPLUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTZFXJTOYFYTN-KWDXPJCYSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGQFLEOCJZSNGH-XKLVTHTNSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUCOLDBCULZAGB-XNIJJKJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEERBJGXPQZLEC-XNIJJKJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGZUAQSIFKTFLX-XNIJJKJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAPSIPQJGNYYGY-LSCFUAHRSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYZLZXKRRUJWJJ-SCFUHWHPSA-N", "SMILES:CCc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQBLHRFDZEKNV-LSCFUAHRSA-N", "SMILES:COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXZFYCPOSUPKW-SCFUHWHPSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLGAQGPXIGRMF-SCFUHWHPSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGPCBUMGKYMMO-NVQRDWNXSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNKGSLQRDEVJM-NVQRDWNXSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFFNONAPOUQNH-LSCFUAHRSA-N", "SMILES:N#Cc1cccc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMWYHOFFMAINC-LSCFUAHRSA-N", "SMILES:N#Cc1cc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJLBMVODVBMPB-LSCFUAHRSA-N", "SMILES:N#Cc1cc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJSYXDNAHIHQT-SCFUHWHPSA-N", "SMILES:COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLANHPFULDYJQO-NVQRDWNXSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVNWPYRBLBLOS-WVSUBDOOSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(OC)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYZJFDXZVUZWDE-XNIJJKJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJPAGVSGXEDJQ-XNIJJKJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMMNCDMMIRXFMG-LSCFUAHRSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITZLIGFIFJAOAQ-SCFUHWHPSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTORKQOXXBWCGU-SCFUHWHPSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDRWCOLALVSFHP-NVQRDWNXSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLWQBUCOMCDYNO-FGSUIDRYSA-N", "SMILES:CCOC(=O)CCCCN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZXQPAYSGPTRV-ZDXOVATRSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CCCCOC(C)=O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPOPXZDOQKBMBS-QWOIFIOOSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CCCCNc2cccc3ccccc23)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNYMCUFKZHRYID-UHFFFAOYSA-N", "SMILES:COc1ccc([B-](F)(F)F)cc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDATBOHQWOJDD-LRUOCDQUSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5187829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTNEONHFSITNG-VUSXLKHPSA-N", "SMILES:C[C@H](CCC(=O)NCCCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWJKBBOYFZGPHZ-FPJYWINZSA-N", "SMILES:C[C@H](CCC(=O)NCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JADIPNUWOVIOBQ-FPJYWINZSA-N", "SMILES:C[C@H](CCC(=O)NCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPZQVMCPAXHQDX-VQLRKIGESA-N", "SMILES:C[C@H](CCC(=O)NCCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEEWMNBCXAPAKO-VQLRKIGESA-N", "SMILES:C[C@H](CCC(=O)NCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRICRJZOXTVKPU-LRKXJBFMSA-N", "SMILES:C[C@H](CCC(=O)NCCCOc1ccc([B-](F)(F)F)cc1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEDAGPUVYLQUHG-JVXSRPDKSA-N", "SMILES:C[C@H](CCC(=O)NCCCOc1ccc(B(O)O)cc1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKIWMILRTHCCOJ-FIMFMLCFSA-N", "SMILES:C[C@H](CCC(=O)N1CCC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKWXWLOUKJFEJ-RJIYWHDJSA-N", "SMILES:C[C@H](CCC(=O)N1CC[C@@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKWXWLOUKJFEJ-KHOXCDFUSA-N", "SMILES:C[C@H](CCC(=O)N1CC[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFCAUGATVEMIM-XFANABPOSA-N", "SMILES:C[C@H](CCC(=O)N1CCC(Oc2ccc([B-](F)(F)F)cc2)CC1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIFDOLGFKFUTEG-SRAOFPMWSA-N", "SMILES:C[C@H](CCC(=O)N1CCC(Oc2ccc(B(O)O)cc2)CC1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWUZCBSWABPMR-LPYMAVHISA-N", "SMILES:O=C1S/C(=C/c2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIGUERPKCOEEGG-QSTCOJNESA-N", "SMILES:C[C@H](CCC(=O)NCCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYJBHGSSAJNKJF-CQSZACIVSA-N", "SMILES:COc1ccc([C@H]2CC(=O)c3cc(OC)cc(OC)c32)cc1"]}
{"name": "Dual specificity mitogen-activated protein kinase kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL3721303"], "id": "UniProtKB:O09110", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTLBZABPJXSFP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2nc(-c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZZXPXWWUFTNT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2nc(-c3ccc(Cc4n[nH]c(=O)c5ccccc45)c(C)c3)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHGQMFDYOIMYJB-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSQKYIXWKZPRR-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)nc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHOYAPLXAIPAZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMLGMVMHCFZENA-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccc(F)c(-c3nc4cccc(Cl)c4c(=O)[nH]3)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAZGZCWAIYYFHG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1Cc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMKNSGGSPQWKDQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3ccc(F)cc3c(=O)[nH]2)ccc1Cc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOOGWSUOXXBDAV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3ccc(Br)cc3c(=O)[nH]2)ccc1Cc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXXBHHFBXPVIG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(Cc4n[nH]c(=O)c5ccccc45)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHLAUBSPUSNAC-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(Cc4n[nH]c(=O)c5ccccc45)cc3)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGPIHAVKVNUQQD-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(Cc3n[nH]c(=O)c4ccccc34)cc2)nc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGLZNAQHJUUQF-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccc(-c3nc4cccc(Cl)c4c(=O)[nH]3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLDDIMJBSQHBLI-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(Cc3n[nH]c(=O)c4ccccc34)cc2)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWZXGDJFJKRKGM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(Cc3n[nH]c(=O)c4ccccc34)cc2)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSOEGGQKFLJNL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(Cc4n[nH]c(=O)c5ccccc45)c(F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYBFGCKDRNHWKG-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(Cc4n[nH]c(=O)c5ccccc45)c(F)c3)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXGUJQYEVPDZDX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(Cc3n[nH]c(=O)c4ccccc34)c(F)c2)nc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHMNBPLVONVTTK-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccc(-c3nc4cccc(Cl)c4c(=O)[nH]3)cc2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVVBGHFUUUBOOJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(Cc4n[nH]c(=O)c5ccccc45)c(OC)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDXCRJFCZPWEV-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(Cc4n[nH]c(=O)c5ccccc45)c(OC)c3)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUEWFWSLHLEMCS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3ccc(F)cc3c(=O)[nH]2)ccc1Cc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNFAPWDKNIGZJU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3cccc(Cl)c3c(=O)[nH]2)ccc1Cc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYIPHGJHYQZFI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)ccc1Cc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLFGEJCSCRUXNN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(F)cc(Cc4n[nH]c(=O)c5ccccc45)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INQFVNPRQZHDEN-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cc(F)cc(Cc3n[nH]c(=O)c4ccccc34)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRTIYQPHNDSANV-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc(-c3cc(F)cc(Cc4n[nH]c(=O)c5ccccc45)c3)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJKBUSSFJHJDL-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cc(F)cc(Cc4n[nH]c(=O)c5ccccc45)c3)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBRETLFBMUKFX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cc(F)cc(Cc3n[nH]c(=O)c4ccccc34)c2)nc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANSNTBBTHJPEW-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2cc(F)cc(-c3nc4cccc(Cl)c4c(=O)[nH]3)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIQIZPXTLZLGLG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cc(F)cc(Cc3n[nH]c(=O)c4ccccc34)c2)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHKDKZHNMYREJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFBKLFVRIRIRG-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc(-c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNFNYBBLPFNLBF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUDEDUGHSXUJQ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZESKJAEEVBAJZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)nc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXQDYXONPZLBIC-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2cccc(-c3nc4cccc(Cl)c4c(=O)[nH]3)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDTWSCBRHXQPU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cccc(Cc4n[nH]c(=O)c5ccc(Cl)cc45)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDUXKZCPPPHDPU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCOc4ccccc4C(N)=O)c(C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYMGLKTXYGMXCI-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIGWKWNKNBXAIE-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)[nH]c(-c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQXJEAJJSOUJEX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZFNOCDEQALBCG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3cccc(C)c3c(=O)[nH]2)ccc1Cc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNNVAECXYFWBQJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(Cc3n[nH]c(=O)c4ccccc34)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFPAWYIKQSMKH-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc(-c3ccc(Cc4n[nH]c(=O)c5ccccc45)cc3)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPJGQLPUXSATTL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(Cc3n[nH]c(=O)c4ccccc34)c(F)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIFIZDFYLKZOD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1Cc1n[nH]c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBJPUMPXNDJSE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2cn(S(C)(=O)=O)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRYNCLKDKCPYBF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOSZYUQTMJDLIF-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2cn(C(C)=O)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMLSQIPOAYONH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVICIAEHMPIRB-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2cn(S(=O)(=O)C3CC3)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLMUEOBXJXGCLL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2cn(S(=O)(=O)C(C)C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEVDBLDTOAJSBN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3cc(Cl)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMBUICQFXORMI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3cc(C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQUACUIHXEISL-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)CC)c4ccccc34)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNMRIHXKYLBYEN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3cc(C(C)C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXOZQNKWHMMWAA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3cc(Cl)c(N4CCC(N5CCN(C)CC5)CC4)cc3C)ncc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGREYLWZUTSOT-UHFFFAOYSA-N", "SMILES:CCOc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Cl)cc1Nc1ncc(Cl)c(-c2cn(S(=O)(=O)CC)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRFBKRWOTLGHIK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3cc(Cl)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC(C)C)ncc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZDASCBBYGHHA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(Cl)c3)ncc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTXIZZIPIKECI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYYUDNRZUURRS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRRIFNNZKHJGL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVOCMOLPIKPKJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCJLLWRWGFHVDG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(F)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRZQMWISKZKPBX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(Cl)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOZJLUNPQMFFFL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(C)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGBHQBJWXBUED-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CCOCC2)c2cc1Nc1ncc(Cl)c(n1)-c1cn(S(=O)(=O)CC)c3cc(ccc13)OCCCCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPQVOYLMQKBLGB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(C3CC3)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBXFMTCONHYKGF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(C3CCCC3)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVULWLGEGJWIH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3nccc(Sc4cnc(N5CCC(C)(N)CC5)cn4)c3Cl)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REELJZWLLLEQDH-WJOKGBTCSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3nccc(Sc4cnc(N5CCC6(CC5)Cc5ccccc5[C@H]6N)cn4)c3Cl)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXGJCAIIDCTPQ-WJOKGBTCSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3ccc(Sc4cnc(N5CCC6(CC5)Cc5ccccc5[C@H]6N)cn4)c(Cl)n3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDIVXRGNQQOLRV-MGBGTMOVSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3ccc(Sc4cnc(N5CCC6(CC5)Cc5ccccc5[C@H]6N)cn4)c(Cl)c3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURWJADXFXGPIX-UUWRZZSWSA-N", "SMILES:Cc1nc2c(F)cc(-c3nc(Nc4ccc(Sc5cnc(N6CCC7(CC6)Cc6ccccc6[C@H]7N)cn5)c(Cl)n4)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUDHCQAMRNUAG-UUWRZZSWSA-N", "SMILES:Cc1nc2c(F)cc(-c3nc(Nc4nccc(Sc5cnc(N6CCC7(CC6)Cc6ccccc6[C@H]7N)cn5)c4Cl)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDEBEWQYXJZQRS-YVGXBJCXSA-N", "SMILES:Cc1nc2c(F)cc(-c3nc(Nc4nccc(Sc5cnc(N6CCC7(CC6)CO[C@@H](C)[C@H]7N)cn5)c4Cl)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLVKLHYQSCMHQX-QPHCHLROSA-N", "SMILES:Cc1nc2c(F)cc(-c3nc(Nc4cc(Sc5cnc(N6CCC7(CC6)CO[C@@H](C)[C@H]7N)cn5)ccn4)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCBTZIMNNTWDS-YVGXBJCXSA-N", "SMILES:Cc1nc2c(F)cc(-c3nc(Nc4ccc(Cl)c(Sc5cnc(N6CCC7(CC6)CO[C@@H](C)[C@H]7N)cn5)n4)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOIJTELOSKKPNI-PSTIOWGYSA-N", "SMILES:Cc1nc2c(F)cc(-c3nc(Nc4cccc(Sc5cnc(N6CCC7(CC6)CO[C@@H](C)[C@H]7N)cn5)c4Cl)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJXZHWYKAGWOU-YVGXBJCXSA-N", "SMILES:Cc1nc2c(F)cc(-c3nc(Nc4cnc(Sc5cnc(N6CCC7(CC6)CO[C@@H](C)[C@H]7N)cn5)c(Cl)c4)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFNRQGETQTKEM-PSTIOWGYSA-N", "SMILES:Cc1nc2c(F)cc(-c3nc(Nc4ccc(Sc5cnc(N6CCC7(CC6)CO[C@@H](C)[C@H]7N)cn5)c(Cl)c4)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAEYQDREFVLABR-UHFFFAOYSA-N", "SMILES:CSc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCIPVAPISLTNZ-UHFFFAOYSA-N", "SMILES:CCSc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUZXXKXHOMCSKA-UHFFFAOYSA-N", "SMILES:CCCSc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGJPZJTBYAROM-UHFFFAOYSA-N", "SMILES:CC(C)Sc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJVWZMZNMIHAS-UHFFFAOYSA-N", "SMILES:CCCCSc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPOPSMREFZKMU-UHFFFAOYSA-N", "SMILES:CCC(C)Sc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUTWVFSFWGCBLS-UHFFFAOYSA-N", "SMILES:CCCCCSc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTAGPZFKFQUCKM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCSc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDTWDDDEUHIPTO-UHFFFAOYSA-N", "SMILES:CSc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXXYHKFKZZNFT-UHFFFAOYSA-N", "SMILES:CCSc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKXNCBKBLXLGSQ-UHFFFAOYSA-N", "SMILES:CCCSc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMABLVJCCGQAJL-UHFFFAOYSA-N", "SMILES:CC(C)Sc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYKVILJTNLKBI-UHFFFAOYSA-N", "SMILES:CCCCSc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQRZBYPUFXKADM-UHFFFAOYSA-N", "SMILES:CCC(C)Sc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMKJIKGYJEJID-UHFFFAOYSA-N", "SMILES:CCCCCSc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPPGBVWZGMDXKF-UHFFFAOYSA-N", "SMILES:COc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLEOPNFNESMAOM-UHFFFAOYSA-N", "SMILES:COc1ncc2cc3cnccc3c(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPIMPFVNTDPVQW-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc3cnccc3c([N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNQXRGOKABDOB-FOCLMDBBSA-N", "SMILES:O=C(/C=C/C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXQUPCJIJBXHJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNDZHLPEOMAMK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)cc3)CC1)C(=O)N2"]}
{"name": "Inositol hexakisphosphate kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL4523418"], "id": "UniProtKB:Q92551", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGCSKRKOSIKUGT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(-c4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1368139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCMHXGNYHDXIPU-VQHVLOKHSA-N", "SMILES:O=C(O)/C=C/c1ccc2noc(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1485263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJNKBAKWQGYGIS-VQHVLOKHSA-N", "SMILES:O=C(O)/C=C/c1ccc2c(-c3ccccc3)onc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXNBWBCGFFRHY-CSKARUKUSA-N", "SMILES:COC(=O)/C=C/c1ccc2noc(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTWBGGJBFTZMG-PKNBQFBNSA-N", "SMILES:CN(C)C(=O)/C=C/c1ccc2noc(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOSGIAAIPQZHFX-CSKARUKUSA-N", "SMILES:CNC(=O)/C=C/c1ccc2noc(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDPEHKRYOMXIP-WEVVVXLNSA-N", "SMILES:Cc1ccc(-c2onc3ccc(/C=C/C(=O)O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZIRXZVVVJXPI-KRXBUXKQSA-N", "SMILES:O=C(O)/C=C/c1ccc2noc(-c3ccc(OC(F)(F)F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDZTXLMWMCOOA-NTUHNPAUSA-N", "SMILES:O=C(O)/C=C/c1ccc2noc(-c3ccc(Oc4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECCUIFLNBVYNL-NTUHNPAUSA-N", "SMILES:O=C(O)/C=C/c1ccc2noc(-c3ccc(-c4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMRZQTYUUQFREP-SOFGYWHQSA-N", "SMILES:Cc1cccc(-c2onc3ccc(/C=C/C(=O)O)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1460920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEBDBXYYQHUKAU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOWRVDYCUCNDRQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2noc(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1379963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSBMOWPXCBDEU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2onc3ccc(C(=O)O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTWLPROTHIDRO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(-c4cccnc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUGPLHHOVRZBPQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(-c4ccncc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEMRZGFUMBNCU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(N4CCCCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQBXWLBBVDQKO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(Cc4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDUSLGQAINYUBF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(Oc4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZPJZXUSDWCKD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(Oc4ccccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJNOKMYWPQSOG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(Oc4ncc(Cl)cc4Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVWUJNAMCOITL-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc(-c2onc3ccc(C(=O)O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEHNEUJMGUSIY-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(-c2onc3ccc(C(=O)O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBCBVKPMLXTDM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(N4CCCC4=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMPTQWELNNZCW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(NC(=O)C4CCCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPILQZRDRJTRK-UHFFFAOYSA-N", "SMILES:O=C1CCC(C(=O)Nc2ccc(-c3onc4ccc(C(=O)O)cc34)cc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMMYZLXVHNXFOU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(NC(=O)c4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMAVBGNRTBOZAZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3ccc(NC(=O)c4ccncn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFQODTOCTNJYMV-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2onc3ccc(C(=O)O)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDMMQSMXXIBISI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3cccc(C(F)(F)F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIAXVGIVSFMPE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3cccc(NC(=O)C4CC4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKXLSSAJRWYJHQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3cccc(-c4ccccc4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOTSMUCYFCYJOF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3cccc(Oc4ccccc4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLHIZBXRDCZCI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3cccc(Oc4ccccn4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LETNDJKCUWOYQZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2noc(-c3cccc(Oc4ncc(Cl)cc4Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBHYQWOHSDLSMR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2onc3ccc(C(=O)O)cc23)c1"]}
{"name": "Inositol hexakisphosphate kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL4523431"], "id": "UniProtKB:Q96PC2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inositol-trisphosphate 3-kinase A", "xref": ["CHEMBL.TARGET:CHEMBL5164"], "id": "UniProtKB:P23677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inositol polyphosphate multikinase", "xref": ["CHEMBL.TARGET:CHEMBL4523401"], "id": "UniProtKB:Q8NFU5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2", "xref": ["CHEMBL.TARGET:CHEMBL4523135"], "id": "UniProtKB:O43314", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIEUQFMVFKJKHX-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2cc(C(=O)c3c(Cl)ccc(Cl)c3F)c[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPWRAPSPEZXMPU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncnc1)c1cc(C(=O)c2c(F)cccc2Cl)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJPFXVJKTZCTPH-UHFFFAOYSA-N", "SMILES:Cc1ncc(NC(=O)c2cc(C(=O)c3c(F)cccc3Cl)c[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZWXHIPKBZICW-UHFFFAOYSA-N", "SMILES:COc1ncc(NC(=O)c2cc(C(=O)c3c(F)cccc3Cl)c[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVIRWLAGBBSWPD-UHFFFAOYSA-N", "SMILES:CN(C)c1ncc(NC(=O)c2cc(C(=O)c3c(F)cccc3Cl)c[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNHHDAITCVBLKZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(N2CCOCC2)nc1)c1cc(C(=O)c2c(F)cccc2Cl)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPIZJOMJBXQTAE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc(NC(=O)c3cc(C(=O)c4c(F)cccc4Cl)c[nH]3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SURDAOBSMMRZNB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc(NC(=O)c3cc(C(=O)c4c(Cl)ccc(Cl)c4F)c[nH]3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADIVQOOKAYNMU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(N2CCNCC2)nc1)c1cc(C(=O)c2c(Cl)ccc(Cl)c2F)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXVAGAEHWIYSM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)nc1)c1cc(C(=O)c2c(Cl)ccc(Cl)c2F)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPEZFIUCMKAVMQ-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ncc(NC(=O)c3cc(C(=O)c4c(Cl)ccc(Cl)c4F)c[nH]3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHFZZGILQJRRF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(CN2CCNCC2)nc1)c1cc(C(=O)c2c(Cl)ccc(Cl)c2F)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSIVXGRLCYWOW-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ncc(NC(=O)c3cc(C(=O)c4c(Cl)ccc(Cl)c4F)c[nH]3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNUSKPVZMKRBD-UHFFFAOYSA-N", "SMILES:CN1CCC(N(C)c2ccc(NC(=O)c3cc(C(=O)c4c(Cl)ccc(Cl)c4F)c[nH]3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJSAFAQBWOXUSM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCNCC2)nc1)c1cc(C(=O)c2c(Cl)ccc(Cl)c2F)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDDDCNESUOOSW-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cc(C(=O)c4c(Cl)ccc(Cl)c4F)c[nH]3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXWVGKWFWOEKW-UHFFFAOYSA-N", "SMILES:CN1CCC(Cc2ccc(NC(=O)c3cc(C(=O)c4c(Cl)ccc(Cl)c4F)c[nH]3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWEABBVOTTUIFF-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(NC(=O)c3cc(C(=O)c4c(Cl)ccc(Cl)c4F)c[nH]3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGAPHADXJCQXGS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cn[nH]c1)c1cc(C(=O)c2c(Cl)ccc(Cl)c2F)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQHJKPUGIVTCZ-UHFFFAOYSA-N", "SMILES:Cn1ccc(NC(=O)c2cc(C(=O)c3c(Cl)ccc(Cl)c3F)c[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCDUDVRSIJTJB-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cc(C(=O)c3c(Cl)ccc(Cl)c3F)c[nH]2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQNIZLNBHWXIA-UHFFFAOYSA-N", "SMILES:Cn1cnc(NC(=O)c2cc(C(=O)c3c(Cl)ccc(Cl)c3F)c[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXKUHKCYNREALC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(C2CCNCC2)c1)c1cc(C(=O)c2c(Cl)ccc(Cl)c2F)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNJIDXAMSWKBR-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(NC(=O)c3cc(C(=O)c4c(Cl)ccc(Cl)c4F)c[nH]3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMXRWGZHGVSUOH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(CC2CCNCC2)c1)c1cc(C(=O)c2c(Cl)ccc(Cl)c2F)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPZUXQRPGPNAN-UHFFFAOYSA-N", "SMILES:CN1CCC(Cn2cc(NC(=O)c3cc(C(=O)c4c(Cl)ccc(Cl)c4F)c[nH]3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTFNVAVTYILUCF-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(S(C)(=O)=O)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATKCERYALDNMPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1cc(C(=O)c2c(F)cccc2Br)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZAQNIXGLXSPW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1cc(C(=O)c2c(F)cccc2Cl)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVBBJIEKCCZTM-OLZOCXBDSA-N", "SMILES:C=CC(=O)N1C[C@@H]2CCOc3c(Cl)c(-c4c(O)cccc4F)c(F)c4ncnc(c34)N2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPPWECLWGJIPD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ncnc3cc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCJTOKNGFIMKE-AWEZNQCLSA-N", "SMILES:C=CC(=O)N1CCN2c3ncnc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)c(c34)OC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCJTOKNGFIMKE-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCN2c3ncnc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)c(c34)OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWLYPAEJMWZEM-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCN2c3ncnc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)c(c34)OCC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWLYPAEJMWZEM-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CCN2c3ncnc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)c(c34)OCC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNIQSNPKACJDCB-NSHDSACASA-N", "SMILES:C=CC(=O)N1CCN2c3ncnc4c(F)c(-c5c(O)cccc5F)c(Cl)c(c34)OC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECIVARKFUUFTI-NEPJUHHUSA-N", "SMILES:C=CC(=O)N1C[C@H]2COc3c(Cl)c(-c4c(O)cccc4F)c(F)c4ncnc(c34)N2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECIVARKFUUFTI-RYUDHWBXSA-N", "SMILES:C=CC(=O)N1C[C@H]2COc3c(Cl)c(-c4c(O)cccc4F)c(F)c4ncnc(c34)N2C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEYFIUBOPOBPJ-LBPRGKRZSA-N", "SMILES:C=CC(=O)N1CCN2c3ncnc4c(F)c(-c5c(O)cccc5F)c(Cl)c(c34)OCC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVBBJIEKCCZTM-STQMWFEESA-N", "SMILES:C=CC(=O)N1C[C@@H]2CCOc3c(Cl)c(-c4c(O)cccc4F)c(F)c4ncnc(c34)N2C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XADIZKAODQXXTM-JIULUXBNSA-N", "SMILES:N=C(N)N[C@@H]1CCOCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](c2ccccc2)NC(=O)CCNC(=O)CNC1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPHFIOVYAHQCL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCc3c(sc(NC(=O)c4cnn(C)c4)c3C#N)C2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGULTLBPRKTRM-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2sc3c(c2C#N)CCN(C(=O)c2ccc(Br)s2)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJTZPMNFQVZSLR-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2sc3c(c2C#N)CCN(C(=O)Nc2ccccn2)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYHDFDOBCBKGI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2CCc3c(sc(NC(=O)c4cnn(C)c4)c3C#N)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPDYWVFOORTBW-UHFFFAOYSA-N", "SMILES:COc1ncccc1NC(=O)N1CCc2c(sc(NC(=O)c3cnn(C)c3)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3392776", "category": ["biolink:ChemicalEntity"], "name": "C-188-9", "xref": ["InChIKey:QDCJDYWGYVPBDO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1"], "synonym": ["C-188-9", "Stat3 inhibitor c188-9", "Stat3 inhibitor tti-101", "Tti 101", "Tti-101", "C-188-9", "TTI-101", "TTI101"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIASGIMSIFVHQL-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CCc2ccc(C(F)(F)F)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJRMFLPMCRAGAT-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(O)cc1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQHXCRNXSUHIJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccsc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLFAOLEDKNTQI-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CCc2ccc(Cl)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAPKMJIAMLMYDY-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(O)cc1CCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQJIGODKGILKS-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccc(Cl)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCXCSGHGORMDF-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CCc2ccccc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYIGSCSIVGCTIB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCc2c[nH]c(=O)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMWFEUJLVHMBJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2c[nH]c(=O)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNZIIPJUNJNGDD-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CCc2cccc(Cl)c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTQIRIWJDUYIN-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CCc2ccccc2Cl)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZPAVNDRAIXCEX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCc2c[nH]c(=O)c(=O)[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWJJXJGUNZYKW-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CCc2cc(Cl)cc(Cl)c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOVQHGTXKAXTJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CCc2ccc(OC(F)F)nc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPUPUNPLSNHPCK-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CCc2ccc3ncccc3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELVHZRUTQGPGD-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CCc2ccc(-c3cc(O)n[nH]3)c(F)c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLWTQQFAGTARY-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(CCc3c[nH]c(=O)c(=O)[nH]3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUBTMDDRYHPIQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(Cl)c(CCc2ccc(C(F)(F)F)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBMHQLBRRKHPNF-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)c(=O)[nH]c1CCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNMVJQZFJYXDJA-UHFFFAOYSA-N", "SMILES:N#Cc1[nH]c(=O)c(=O)[nH]c1CCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKFSXGGRSOGGMW-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(Cc2ccc(Cl)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTINPDGDZASLQP-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(SCc2ccc(C(F)(F)F)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZNILNWDJYNJV-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CSc2ccc(C(F)(F)F)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKKLPBDAXHFGP-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(SCc2ccc(Cl)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERRGPXQXKKBIA-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CSc2ccc(Cl)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUIXIWGKYSFSL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWGQPADKNIGAJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(SCc2ccc(C(F)F)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLHGRKAZQBZUNQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CSc2ccc(C(F)F)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSNINZBFLKSAY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNHPSTANIRLJAO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEDDZONQESPDIR-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(SCc2ccc(S(F)(F)(F)(F)F)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJOQYMLLCTZSD-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CSc2ccc(S(F)(F)(F)(F)F)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXLRQXSTTHPTIM-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CSc2c[nH]c(=O)c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVJFNNRYTWVCP-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(SCc2ccc(C(F)(F)F)nc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRAMHHLPBANNK-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(SCc2ccc(F)c(F)c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQAFJGPUORZGF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANWEVRFIKXCME-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVDABMRVUVJJDL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBQRJOIQCJRZOK-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(CSc2cnc3cc(Cl)ccc3c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYPSHXAEEWBZGE-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(C2COc3cc(C(F)(F)F)ccc3S2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFSNGDYRHVYGFU-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(C2COc3ccccc3S2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKFYQJEXKHMQT-JTQLQIEISA-N", "SMILES:O=c1[nH]cc([C@@H]2COc3cc(F)ccc3S2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTAKZVZFUMGBD-JTQLQIEISA-N", "SMILES:O=c1[nH]cc([C@@H]2COc3cc(Cl)ccc3S2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQPSFWATMQNDW-JTQLQIEISA-N", "SMILES:O=c1[nH]cc([C@@H]2COc3cc(C(F)F)ccc3S2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRZGHVZXKQFHU-NSHDSACASA-N", "SMILES:N#Cc1ccc2c(c1)OC[C@@H](c1c[nH]c(=O)c(=O)[nH]1)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOMCABHWHMMRA-NSHDSACASA-N", "SMILES:CS(=O)(=O)c1ccc2c(c1)OC[C@@H](c1c[nH]c(=O)c(=O)[nH]1)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKYNNCCALAHSNE-UHFFFAOYSA-N", "SMILES:CC1(c2c[nH]c(=O)c(=O)[nH]2)COc2ccccc2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPPGZPVQXBCFK-ZDUSSCGKSA-N", "SMILES:C[C@@]1(c2c[nH]c(=O)c(=O)[nH]2)COc2cc(C(F)(F)F)ccc2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRJLAWQOOBJGLP-ZDUSSCGKSA-N", "SMILES:C[C@@]1(c2c[nH]c(=O)c(=O)[nH]2)COc2cc(Cl)ccc2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSGPIJJGDJMIFT-AWEZNQCLSA-N", "SMILES:C[C@@]1(c2c[nH]c(=O)c(=O)[nH]2)COc2cc(C#N)ccc2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHWHWIJEZFURJ-AWEZNQCLSA-N", "SMILES:C[C@@]1(c2c[nH]c(=O)c(=O)[nH]2)COc2cc(S(C)(=O)=O)ccc2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKRDQLFBITRER-SFHVURJKSA-N", "SMILES:O=c1[nH]cc([C@@H]2COc3cc(COCc4cccc(F)c4)ccc3S2)[nH]c1=O"]}
{"name": "D-amino-acid oxidase", "xref": ["CHEMBL.TARGET:CHEMBL2331068"], "id": "UniProtKB:P18894", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYCCPTUSPYOPRE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3nccc(Cl)c23)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQXOULEMUJBNK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncc(C(=O)OC(C)C)cc23)ccc1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFUMXZGGBYQFQS-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(O)cc1Nc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHXRNDEHCSZKC-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(O)cc1Oc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVHWWWYNDRLVMD-UHFFFAOYSA-N", "SMILES:Oc1ccc(Oc2ccccc2Cl)c(-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKHACGUKFLZOC-UHFFFAOYSA-N", "SMILES:Oc1ccc(Oc2ccccc2Cl)c(Cc2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSSEELXNKGLMA-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(O)cc1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFAGJJMIEKYDJC-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(O)cc1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFSRLUGJCGONGU-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(O)cc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVLANBGUENPEMS-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(O)cc1Oc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGOUAJJIQIPDQ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(O)ccc1Oc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHFREMVVJUWBMW-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(O)ccc1Oc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMOVVZHVJRTDTD-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1Oc1ccc(O)cc1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXWANILYYVBEAY-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(O)ccc1Oc1ccc([N+](=O)[O-])cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200347", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTAOSJOJCRNLK-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)c1cc(O)ccc1Oc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTXROWZKXDEZKT-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(Cc2cc(O)ccc2Oc2ccccc2Cl)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVRVHZSFYTXTOU-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2cc(O)ccc2Oc2ccccc2Cl)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YENZLOICJNDRKG-UHFFFAOYSA-N", "SMILES:Oc1ccc(Oc2ccccc2Cl)c(Cc2cc(O)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190035", "category": ["biolink:ChemicalEntity"], "name": "3-Hydroxyphenylacetate", "xref": ["InChIKey:FVMDYYGIDFPZAX-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5195563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTFRXQGXNWEXEV-RWYGWLOXSA-N", "SMILES:CCN(c1cc(-c2ccc(CNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJHOEUXDQOTHC-WBCKFURZSA-N", "SMILES:CCN(c1cc(-c2ccc(CCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQHJMTUSFNCHJO-SJARJILFSA-N", "SMILES:CCN(c1cc(-c2ccc(C(=O)NCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTPJXAROHNZGU-GWHBCOKCSA-N", "SMILES:CCN(c1cc(-c2ccc(OCCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLADKRRSZHEFK-SJARJILFSA-N", "SMILES:CCN(c1cc(-c2ccc(OCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAIWKTWZDNHUSW-WBCKFURZSA-N", "SMILES:CCN(c1cc(-c2ccc(OCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXLWFHHTLWJNO-QLKFWGTOSA-N", "SMILES:CCN(c1cc(-c2ccc(OCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDVTZOWUGGSAKH-FAIXQHPJSA-N", "SMILES:CCN(c1cc(-c2ccc(NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIXMXHAUANJLQ-DXQCBLCSSA-N", "SMILES:CCN(c1cc(-c2ccc(NC(=O)CCCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBKHKJYWYFAJB-MFERNQICSA-N", "SMILES:CCN(c1cc(-c2ccc(NC(=O)CCCCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRMENOALGOIDQ-DYVQZXGMSA-N", "SMILES:CCN(c1cc(-c2ccc(NC(=O)CCOCCOCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFVSSZAOYLHEE-SSEXGKCCSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5198453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTFMMNUBBGVSN-WFNDOTKZSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@@H](O)C1CC(CCCCCCCCCC(=O)O)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COQCBADNBTZWQG-KKGVWULHSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@H](NS(N)(=O)=O)C1CC(CCCCCC)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLIDCWKPFMEUQP-UHOGFZFASA-N", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@H](NS(N)(=O)=O)C1CC(CCCCCCCCCC(=O)O)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFXMYHPLTQTTFW-XZSHQJGLSA-N", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@@H](O)C1CC(CCCCCC)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCWPARPWLNZFGS-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMLZQNXTUAMCS-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAUESXRNXRXCG-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(Cl)c2cc(Oc3ccccc3)ccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOCHEISIIMJAU-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(Br)c2cc(Oc3ccccc3)ccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRGUPOHOWABRY-UHFFFAOYSA-N", "SMILES:CN(C)Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWCFOUNNQGPDKI-UHFFFAOYSA-N", "SMILES:COCCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKFZTQLLGDDDS-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(OC2CCC2)c2cc(Oc3ccccc3)ccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTJBCOEWZOUPK-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(Cc4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVVKHRFCCMGUTB-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(Cc4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORXLENKYLYVGFT-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(-c4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJARBDPKVNCTM-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(-c4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUAFQTOBMYYSNS-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMKPFGSXLIWCG-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMKNYXIJEGNESI-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(C(=O)c4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJZLGNELFFVLY-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(C(=O)c4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDLRBRQFDZEAAL-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLIQJCBKUKDLPL-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(CCc4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATARDLYEQPCOKZ-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3c(C)cc(Cc4ccccc4)cc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURHRNFVXRVJAN-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3c(C)cc(C(=O)c4ccccc4)cc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIPXHVKKFYVCB-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3c(C)cc(C(=O)c4cccc(C)c4)cc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEYXQLZTCSOEEU-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3c(C)cc(C(=O)c4cccc(C)c4)cc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRCLNIQEVMXFO-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3c(C)cc(C(=O)c4cc(C)cc(C)c4)cc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXSXEVSQLAGZML-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3c(C)cc(C(=O)c4cc(C)cc(C)c4)cc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBPLLHXFFMVKV-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(C(=O)c2cc(C)c(Oc3ccc4c(O)c(C(=O)NCC(=O)O)nc(OC)c4c3)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLRMKPITDQZMBN-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3c(C)cc(C(=O)c4cc(F)cc(OC)c4)cc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQJXNQGVCBGGKS-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(OC2CCCC2)c2cc(Oc3ccccc3)ccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCIWBQJGORIOE-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(OC2CCCCC2)c2cc(Oc3ccccc3)ccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSWUJAPVWADPZ-NMUOTRIQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCAXDPZUGKTHK-XMKKDGKYSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQPPCADSQXXOLW-FVPVMZIUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLCRKKXKYDFFQ-QMSTXTSYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHBKYYWYOQEBS-OTQNVIFNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCQVERDNXJSOIW-XKQQUFFVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXDPCCYLFLZKI-QMSTXTSYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOKZGIWNLXXYAS-QXKHRJMCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYQNAAXLWWNEB-LHOCDYTQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDRWUGSVNGLUPO-ODOXFWGRSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLLBXUKDCMWZEI-XKQQUFFVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NETVOMGKDFNPFI-CUWLWMPESA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJJVBRFSMTJFZ-XEBLDHIMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSSTCWKLUTVAH-RIXNVFHZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASJTHJCJUPOBO-DKFLDVSASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBLHPMLWJTWBCB-JOQAVDMPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKJTDGFBXHMDW-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)ccc1F)N1CCC(Cc2cccc(Oc3cc(C(F)(F)F)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCQFHORTRABIGN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(O)c1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDIEXPYSWSNKZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)c(O)c1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXWYCQKCIHXJL-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)ccc1Cl)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAWGHJXIPROUDS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Br)c(O)c1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEAWZYAZKIHQNY-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)ccc1F)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACCLAOJWWIFJD-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPVDZJYGQWZYEY-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cccc(Oc3ccccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWOVEUVMNCAQLT-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cccc(Oc3ncccc3C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEOJJVNNKQXXTM-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cccc(Oc3cc(C(F)(F)F)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDLOIUZOAJYRGW-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cccc(Oc3cccc(C(F)(F)F)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNDGXGMGLPQQBA-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cccc(Oc3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZNBYBKTJDHTH-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1387909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFOXHGJGFQOFV-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFOMUWVPHSSBJ-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccccc2F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWUAROCRGSEOMO-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccccc2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTRWXKRQCFFJJF-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2cccc(F)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASILNWLZYIGPEA-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2cccc(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRRMWHGEXYEMFN-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2cccc(C(F)(F)F)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMXLUUCTOMGYJZ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-n2cc(CO)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYGHPEBCWZULLA-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-n2cc(CO)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMHIMTKORDHHIZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(CO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIMMTQHEBJVYFX-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc(C(F)(F)F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDOVLYBJGJLNMR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2cc(CO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHWYKZDANVBVKB-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2cc(CO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRSRKIWOFXINSV-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc3c(c2)OCCO3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEUJFJCOKKJEBE-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc3c(c2)OCO3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XECGMHCWQZHPNZ-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2cccc(Cl)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJCAHVICDDRILC-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc(Cl)cc2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWRAYFYLCHSFAA-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2cc(Cl)ccc2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGIYHTWKHGFGKP-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2cc(Cl)cc(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMIRTDWEKUNBDX-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCVVHVFRCTWBH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(CO)nn2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFNAZUFZIGODJE-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTSIIXPDVHCKBB-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMNGWKCEPYOOFD-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc(C(F)(F)F)c(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVIREHNULVZQCY-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUDPDIOOTNQGSZ-UHFFFAOYSA-N", "SMILES:CC(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIHCLWZDEAFGGI-UHFFFAOYSA-N", "SMILES:OCCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRDCXRKUZFKOKS-UHFFFAOYSA-N", "SMILES:OCCCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLAHNRHMWABQOU-UHFFFAOYSA-N", "SMILES:CC(O)Cc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOMDUBWWASMPT-UHFFFAOYSA-N", "SMILES:OC1(Cc2cn(-c3ccc(Cl)c(C(F)(F)F)c3Cl)nn2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAJBQEDOBOFLOW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRHYCFDLXYGGSF-UHFFFAOYSA-N", "SMILES:NC(=O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQDYFHCVAHVQW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKILBOKPOXVKLK-UHFFFAOYSA-N", "SMILES:NCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCIMBYJUMICAOC-UHFFFAOYSA-N", "SMILES:COCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZTJXECZBYZKHM-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPCKDTZYQJUULE-UHFFFAOYSA-N", "SMILES:Clc1ccc(-n2ccnn2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDLZMONPCNWIZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1c(Cl)ccc(-n2cnnc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPCBNBNAWIOJH-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1c(Cl)ccc(-n2cnnn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWICKJUITQVJQR-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1c(Cl)cnc(-n2ccnn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVFXHCLMGYJAQI-NMQOAUCRSA-N", "SMILES:[2H]c1nnn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)c1[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMLNWVOSWXQXDJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2cc(CO)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGZDZEAUCSREJN-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFCMZNLRZFPFV-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1cncc(-c2ccc(C(=O)N3CCNCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSSJFPLJTWVJQE-AFARHQOCSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@H](Oc3ccc4nnc(C(C)C)n4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDQRLXXNHRRHKI-NSOVKSMOSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@H](Oc3ccc4nnc(C(C)C)n4c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDQRLXXNHRRHKI-WUFINQPMSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(C(C)C)n4c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICCKZLKSHZYDD-AHKZPQOWSA-N", "SMILES:CC(C)c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(O)c(Cl)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWHBCWYBAZTHBN-AHKZPQOWSA-N", "SMILES:CC(C)c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(Cl)c(O)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUBKVFMGQNKJSC-RRPNLBNLSA-N", "SMILES:CC(C)c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVITWOBMBQCDO-FCHUYYIVSA-N", "SMILES:CC(C)c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4C)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSXAHMYUWMFIF-XZWHSSHBSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(C5CCCC5)n4c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEMWHLCRYKXXJM-IOWSJCHKSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(C5CCCCC5)n4c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMGDIVPZOYKKB-URLMMPGGSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCC5)n4c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNZGHWSBOGBXEO-XZWHSSHBSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCCC5)n4c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNVATZLJKABGJD-URLMMPGGSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCOCC5)n4c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJAYFHLAFHHZCA-XZWHSSHBSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCN(C)CC5)n4c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQKFRFAEMWAJOF-LMSSTIIKSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCCC5)n4c3)c3ccccc32)n(-c2ccc(Cl)c(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYWAUYOYRABYEA-XZWHSSHBSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCCC5)n4c3)c3ccccc32)n(-c2cccc(CO)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUCVIQPUESHERW-IOWSJCHKSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCC(CO)CC5)n4c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYUFXWNYNNZXKN-XZWHSSHBSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCC(O)CC5)n4c3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLIFFKUVZXPQOC-XZWHSSHBSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCC(O)CC5)n4c3)c3ccccc32)n(-c2ccc(CO)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUKHJIFDCUDQLF-URLMMPGGSA-N", "SMILES:CC(C)c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(OCCO)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MREGYRLOLXAEPT-IOWSJCHKSA-N", "SMILES:CC(C)c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(OCCN(C)C)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIPURTWBAPAIJP-JHOUSYSJSA-N", "SMILES:CN(C)CCOc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCCC5)n4c3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLRZDZTDUUGIK-OIDHKYIRSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCCC5)n4c3)c3ccccc32)n(-c2cccc(CN3CCCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPOPMGWGKQVJJ-SZAHLOSFSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCCC5)n4c3)c3ccccc32)n(-c2cccc(CN3CCNCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVXYBSOXXHRGQE-OIDHKYIRSA-N", "SMILES:CN1CCN(Cc2ccc(-n3nc(C(C)(C)C)cc3NC(=O)N[C@H]3CC[C@@H](Oc4ccc5nnc(N6CCCCC6)n5c4)c4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCQXLGQYLSVMRW-AJQTZOPKSA-N", "SMILES:CN(C)CCOc1cc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCCC5)n4c3)c3ccccc32)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSUDAWXICVVEY-LKDIDBIPSA-N", "SMILES:C[C@@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(OCCN(C)C)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSUDAWXICVVEY-FBBJSWSOSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(OCCN(C)C)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZPYLQYEOGZKQQ-DRXJUSNJSA-N", "SMILES:C[C@H]1CCCCC1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(CN5CCN(C)CC5)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPENAZDANDKSIQ-PVBFMNCJSA-N", "SMILES:C[C@@H]1CCC[C@H](C)N1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(OCCN(C)C)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZLNBANDBWJQCR-TVIAEEBLSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(OCCN5CCN(C)CC5)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APXVQKZCOUNDAM-DRXJUSNJSA-N", "SMILES:C[C@H]1CCCCC1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(OCCN5CCOCC5)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQAZHCPFFLFIHZ-HOSFBAFGSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(OCCN(C)C)n4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRDWYZKHRSNPIB-FRJUPVQCSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cncc(OCCN(C)C)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBULNBXYJRKTJ-LGXAAPQCSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cnnc(OCCN(C)C)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMREIGUVZHIEP-JPHFWNGBSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccn(CCN(C)C)n4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZSTJQLZOPKBO-LGXAAPQCSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cnn(CCN(C)C)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOFBONIFALDKM-MAOWDPDTSA-N", "SMILES:C[C@@H]1CCC[C@H](C)N1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cnn(CCN(C)C)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSSHWENRKDIVFA-ZIINUWHCSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cnn(CCN5CCOCC5)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPGZZSQHJAWBE-VEYDHLCMSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cnn(CCN5CCN(C)CC5)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLBQGNLVYAWJW-VEYDHLCMSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cnn(CCN5CCCOCC5)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIUSVNJNAYIDLF-XBZWSRNISA-N", "SMILES:CCN(C)CCn1cc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCC[C@@H]5C)n4c3)c3ccccc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOARXVNXMUKPL-FBBJSWSOSA-N", "SMILES:C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4cnn(CCN5CCC(O)CC5)c4)c4ccccc43)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQZAZQHKUDNNHA-ZIINUWHCSA-N", "SMILES:COCCN(C)CCn1cc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCC[C@@H]5C)n4c3)c3ccccc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQCCHWTDLTMJT-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2c[nH]c3ncccc23)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5171250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAEVFKDDSHTHJT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ccc2c(Cc3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKCQNAUAOCQML-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ccc2c(-c3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHPZALXILXALJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ccc2c(Sc3cccc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNWOWYIKEKFVRM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ccc2c([S+]([O-])c3cccc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAVPPLHNLIXNY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ccc2c(S(=O)(=O)c3cccc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHMFCLKWKLVDOZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ccc2c(C(=O)c3cccc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXFTIUZOBDGCF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ccc2c(C(=O)c3c(Cl)c(OC)cc(OC)c3Cl)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKJJGOVVXNREC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1ccc2c(C(=O)c3c(Cl)c(OC)cc(OC)c3Cl)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRYMUMJFNQIFJY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ccc2c(C(=O)c3c(Cl)c(OC)cc(OC)c3Cl)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCAIDHOXZCTINB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(C3COC3)CC2)ccc1Nc1ccc2c(C(=O)c3c(Cl)c(OC)cc(OC)c3Cl)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIUIUVGJVSLGY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCOCC2)ccc1Nc1ccc2c(C(=O)c3c(Cl)c(OC)cc(OC)c3Cl)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONTQFAKPCCYEBM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cnn(C)c2)ccc1Nc1ccc2c(C(=O)c3c(Cl)c(OC)cc(OC)c3Cl)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBHDXLQYYVOKZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(OCCOC)ccc1Nc1ccc2c(C(=O)c3c(Cl)c(OC)cc(OC)c3Cl)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCDQVMYDLAVNRU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(OCCN(C)C)ccc1Nc1ccc2c(C(=O)c3c(Cl)c(OC)cc(OC)c3Cl)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNPVHZLJCLFKL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBAYNSATTUMRBL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFNEYWPMKYGQY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCOCC2)ccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFWVUXFUKUSBI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cnn(C)c2)ccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTOGOKDZTMAQHM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ccc2c(C(=O)c3cc(OC)cc(OC)c3)cn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHXWTZXSOZSPOT-WHNNSLAJSA-N", "SMILES:CC[C@@H](CCCCc1cn([C@H]2[C@H](O)[C@@H](O)[C@H](n3cc(-c4ccc(-c5cn([C@@H]6O[C@H](CO)[C@@H](n7cc(-c8cc(O)c(-c9cn([C@@H]%10O[C@H](CO)[C@@H](n%11cc(-c%12ccc(-c%13cn([C@@H]%14O[C@H](CO)[C@@H](n%15cc(CCCC[C@H](CC)O[C@@H]%16OC(C(=O)O)=C[C@H](O)[C@H]%16NC(C)=O)nn%15)[C@H](O)[C@H]%14O)nn%13)cc%12)nn%11)[C@H](O)[C@H]%10O)nn9)cc8O)nn7)[C@H](O)[C@H]6O)nn5)cc4)nn3)O[C@@H]2CO)nn1)O[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPCAFSOAVIHODN-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSNLDDUTQPVBW-TYPHKJRUSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)C[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFWFCCAXVJZPG-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2F)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDWPJHUIGSCLP-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2cccc(F)c2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BULBGBIUVMOQMK-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccc(F)cc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHFMZJXZJDOGF-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2cc(F)cc(F)c2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVVVVKHPTMHPGP-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccc(F)cc2F)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLNRMSYHNCWBO-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2c(F)cc(F)cc2F)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNQTADCZYNNCO-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMDZMBGNKJHYLG-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQQORXHYMJKMLT-RZUBCFFCSA-N", "SMILES:COc1ccc(COC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@H]3S(=O)(=O)C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPYSOVHFLACRR-ZIFCJYIRSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccc(C(F)(F)F)o2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHQLRBQNVREGU-ZIFCJYIRSA-N", "SMILES:Cc1cc(COC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@H]3S(=O)(=O)C2(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHRKCBCIKRRVRX-VNHYZAJKSA-N", "SMILES:COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S(=O)(=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSDFSHRXKUPDSP-IJEWVQPXSA-N", "SMILES:CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S(=O)(=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQPMSRWHFUSDC-HLLBOEOZSA-N", "SMILES:C#CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S(=O)(=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFRRGMKJKEEHQ-IJEWVQPXSA-N", "SMILES:CC1(C)[C@H](C(=O)OCC#N)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBIFRGJRDPCEK-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCOc2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEPGJISBJNWRCC-RZUBCFFCSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)CCc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBGNOOANBBSFHY-SLYNCCJLSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)COc3c(F)c(F)c(F)c(F)c3F)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWBRRDSNOCDGEZ-RZUBCFFCSA-N", "SMILES:COc1ccc(OCC(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)OCc4ccccc4)C(C)(C)S(=O)(=O)[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODQVUUSVZHQFH-RZUBCFFCSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)COCc3ccccc3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMLSPSPKWAHPHH-SVFBPWRDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)COC3CCCCC3)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAESEQNBUAFJRE-GIFXNVAJSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)COc3cccc4ccccc34)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVGVSQWJUUPMO-GXFFZTMASA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTSGDWNXXLPRPU-GMXVVIOVSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@H](Br)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYBRGUNKNPEKM-BBIVZNJYSA-N", "SMILES:CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5196801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUAZXFCICCKIR-GXFFZTMASA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEUENXIFMCCAS-QNDFEYHSSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(Br)(Br)[C@H]2[S+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UASFRRMYZFFFDN-LKFYFCQJSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2[S@@+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXLBNHWWYEQCG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3600394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHZBSENPMPRYCX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBAMXRKWJLJJLR-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3cccc(OC)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFTBEIXKYKKIPM-UHFFFAOYSA-N", "SMILES:CCOc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)ccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCYZZKHIJUFSB-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)ccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIHYZOPWIZFMU-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(Oc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQIZSOPHQMJLT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(-c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYUZXFTGVVTRN-UHFFFAOYSA-N", "SMILES:CCCOc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)ccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHHUDRMBODBESH-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OC(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MISRHRXSOXNPAQ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKMKGLHFAGYGY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC#N)c2ccc(N(CC#N)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYQJSQYLQXBEC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHVBXFSGBJFEGE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nnn[nH]2)c2ccc(N(Cc3nnn[nH]3)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCBGUIRRTDQUAT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nnn[nH]2)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDGMEMPSRMMTC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(Cc3nnn[nH]3)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNEYOVLTPADDFW-CJRQBAOQSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGOBVLFKAFBEP-PKOBYXMFSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYLDWFDPHRTEG-PAAYLBSLSA-N", "SMILES:C[C@]12CC/C(=N\\OCCN)C[C@@H]1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"name": "Sodium/potassium-transporting ATPase subunit alpha-1", "xref": ["CHEMBL.TARGET:CHEMBL4838"], "id": "UniProtKB:P50997", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IETRMVNCYCNHBY-ZOOILNLJSA-N", "SMILES:C[C@]12CC[C@H](CCCC(=O)O)C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"name": "Sarcoplasmic/endoplasmic reticulum calcium ATPase 2", "xref": ["CHEMBL.TARGET:CHEMBL3585237"], "id": "UniProtKB:P11507", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZJAEUOFNKKIJN-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOIOGYNCIAJKPP-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(C)C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAOSDNFFDKNYFB-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(Cc1ccco1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZDDWNYMFDVWOJ-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(Cc1ccno1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPARGIPVMVHJIR-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(CC1CCCO1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEORJBCWXRXGHB-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C1CCOC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDNJJSNWVUZIFI-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(CC1CCCS1(=O)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEQTWCNLPUENN-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(CCS(C)(=O)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVLCHCOKLXHLY-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)CS(C)(=O)=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRQRXRVKLGUHG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2nc(OCc3c(-c4ccc(F)cc4)noc3C)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRPDEFDVKGPFQ-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTWBYWXKUNSXJJ-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCOC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTRXOLVKJBOGRK-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRXKTPRVSLWJP-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCS(=O)(=O)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVVPHPORYSWGRG-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)CCS(C)(=O)=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMFHAUNGEIGDID-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)c1ccno1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHAVPZBYCXDYLA-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)N(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPCPYSTRMOJMO-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)N1CCCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUEKKKDGNCPLAN-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)N1CCCCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWASMZLLTPEXPS-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)N1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXLTFMRKJYPQQ-UHFFFAOYSA-N", "SMILES:Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(CCS(C)(=O)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPWICKCWXPROW-UHFFFAOYSA-N", "SMILES:Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CC(=O)N(C)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBQNXDBCFYSQA-UHFFFAOYSA-N", "SMILES:Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)NC1CCOC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHTZTAJUUJEEH-UHFFFAOYSA-N", "SMILES:Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCOC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGANKKXNZYWZFN-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2ccc(OCc3c(C)nnn3-c3ccc(F)cc3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWRBLRICBRUKO-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGQWWVMWDBQGC-UHFFFAOYSA-N", "SMILES:COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5172767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHLRMNPUGUZEY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCKDROCCGFJIV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCNCC6)c(Cl)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIWJAUCXVBTTBI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCNCC6)c(C)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCGOSVVBYIDOM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCNCC6)c(F)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMREKSYABLHJK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCNCC6)c(OC)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKSJMIBGQXXHNL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2)c2c(nnn2-c2ccc(N4CCNCC4)c(C(F)(F)F)c2)c(=O)n3C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZWZLAMEWKESH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C)CC6)cc5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGFFIMWECLCRW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCNCC6)cc5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APHDJDYJHFHEPA-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nnc3c(=O)[nH]c4ccc(-c5ccc(OC)nc5)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBJNQNBVUPPFEU-SOFGYWHQSA-N", "SMILES:Oc1ccc2ccccc2c1/C=C/c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPRUQNMTPIDEX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(-c6ccccc6)cc5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZJICPIOMSRER-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLGGCJMCRNKGQE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(Cl)cc5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKIRPMITJNXBE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCNCC6)cc5C(F)(F)F)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBSDFLGHTDYSNS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(C)cc5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWLUIBQVJJSIJG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(-c3cccnc3)cc2c2c1nnn2-c1ccc(N2CCNCC2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZPRVKJSAUJSV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQYHNJNDPEQRD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKNQDMSTQEQNQ-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCSLEKLNDJJJLF-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNDVOWJNIFNNC-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRQVUPRGVGFSGN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1OC1CCCC1)c1ccccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPJJWIOGKXQIV-UHFFFAOYSA-N", "SMILES:CCCOc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARUHXRKQCNKZSE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1OCC(F)(F)F)c1ccccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPLHOTKOWBYPDT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1OCC1CC1)c1ccccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUGDEHUAYJYTH-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C2CC2)c(OCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRDWXLFMANRRP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2occc12)c1ccccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCIORRNJLTRBG-UHFFFAOYSA-N", "SMILES:Cc1cc2cccc(NC(=O)c3ccccc3NS(=O)(=O)C3CC3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPVQYWTFFVRFY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILABKLPSUWHPR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNAHALYPMLPJDV-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQMZGWSNSYHHI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)C2CC2)c(C(=O)Nc2ccccc2OCC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBLVWVPFNLIBCI-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=O)c1cc(C)ccc1NS(=O)(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSMFUPUBLYCUPX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(C)cc1C(=O)Nc1ccccc1OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHIFVZDKTXLEK-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFNZQCVIJOAUPJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1OCC(F)(F)F)c1cc(F)ccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLCEZNJQMMNAB-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=O)c1cc(F)ccc1NS(=O)(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCYEKDNSWSAAL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccccc1OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNOGTNSJQTOCC-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISBZEOAGWOJJGH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1OCC(F)(F)F)c1cc(Cl)ccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGXOOCFJYZCMRK-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USEMIVGHIKZZTN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccccc1OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOZSQVCDXOQQZ-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=O)c1ccc(F)cc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSIFCGHQKQTKCV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIMLZMSUGIFKBK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSURIRSTGBYKA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABCQSODICDAKQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WONPTCVKEVYYAG-UHFFFAOYSA-N", "SMILES:CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHSYZQDRFENFQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c1OCCO2)c1ccccc1NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIQXSVIGXRCFGM-XXIQNXCHSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](C(=O)N(Cc3ccc(-c4cnc5[nH]ccc5c4)cc3)C3CC3)C2)c1)C(=O)N1CCNCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOMRDPSXDKZNH-VCZQVZGSSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)CCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGIGAPAECZNNL-NLXJDERGSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)CCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCAADBODOWVEZ-OIVUAWODSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)CCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQJCKXYSWCZTOX-IONAWPRUSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)CCCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZLKFXTUGDRHKI-AXAMJWTMSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)CCCCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYKGMDMGSILTF-QSCHNALKSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)CCOCCN2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYSXOYCLQZAWEN-OIVUAWODSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)CCOCCOCCOCCN2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMAXVLXCXUDIDV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(NC(=S)NCc2cccnc2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZRFPJCWMNVAV-MHZLTWQESA-N", "SMILES:Cc1ccc(C(=O)N(CCCN)[C@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5180355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHOAUIEGCGYIV-WBVITSLISA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGQDNGLKSDCLQV-OZFDHOBGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHZXTJSTCDDNV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5ccccc5)C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHZXTJSTCDDNV-JOCHJYFZSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H]4CC(=O)N(Cc5ccccc5)C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHZXTJSTCDDNV-QFIPXVFZSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(NC(=O)[C@H]4CC(=O)N(Cc5ccccc5)C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYMTYVFVEMWSRT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5ccc(F)cc5)C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPASWMGKORPBGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CC(C(=O)Nc3ccc(-c4nc(-c5ccc(C)cc5)no4)cc3)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGUYKMYUBRBORV-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CC(C(=O)Nc3ccc(-c4nc(-c5ccc(C)cc5)no4)cc3)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWFJGIZHNDSGFE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5cccnc5)C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKQEQXDJQXJMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5cccs5)C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZGDKCXFBXYCN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5ccsc5)C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFLSRNUALFQJPO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5ccco5)C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYDOHORHIIYXJG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBUFTPLFZMFDMN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(C3CCCCC3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPCWEKKHJHSIZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5cccnc5)C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKUNWVILGUQAHJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5cccnc5)C4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZISJFXWIFNWFOR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWLEAFJJLZTMA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTOAWFRZXVPHAJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)C1CC(=O)N(Cc2ccco2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AACZENBYYTUWJZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVXISWLYSJERX-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFFONJEHNSECY-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXWMXHXYXTBRA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNYPDLBHTFUSIR-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDXOMWWURGFLKK-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc3cc2OCCOCCNc2ccn4ncc-3c4n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMDLEIRNABEYJQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJJXKBLUUGLWDW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CCCN)n2)cc1.Cl"]}
{"name": "Sphingosine-1-phosphate transporter SPNS2", "xref": ["CHEMBL.TARGET:CHEMBL5169183"], "id": "UniProtKB:Q91VM4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXWYSTVEFPSQY-BDQAORGHSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc([C@@H](N)CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYXXBKCDBOXGQ-BQAIUKQQSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc([C@H](CCCCN)NC(C)=O)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVVKVOBKIVYIZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(CCc2noc(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSVLMMHWJGAEY-BOXHHOBZSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc([C@@H](N)CCCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWTYRJTHDEVJF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CC3CCNC3)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVBURHAXXPGKD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CC(C)N)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKJODTYCRUTKK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2ccn(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXQJZDNQONIFFV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CCCNC)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTCUVRFLLHVPTO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2csc(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBIWDDHADMRRSY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2ccnn2CCCN)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXOQEPAMOCTIF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2coc(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBFQUNTKSZWEE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCc1ccc(-c2noc(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFONIGRFDFZFFA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2noc(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSVLMMHWJGAEY-ZMBIFBSDSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc([C@H](N)CCCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVHGZOVZLHZKO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2cnn(CCCN)c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRDOWOJWPYOICN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2noc(CCCN)n2)cc1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIZXCNUWRPEJL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2cn(C)c(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HODYOXNQYXXOKZ-UHFFFAOYSA-N", "SMILES:CCCCCCCc1ccc(-c2noc(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPIUVJVWCSSFC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CCCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFNAVWSNECSWEQ-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(-c2noc(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQYBZQBTISTNA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFQFMJLNSRCWPP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CC(O)CN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGXFQLOTPTKPT-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2nnc(CCCN)o2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJPMDGZHDWTFG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CC(O)CN(C)C)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPSHEASGPQYNJJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1ccc(-c2noc(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGZEQTZMFMSKP-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXKPJOKDFSDITM-VEIFNGETSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc([C@@H]3CCNC3)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPBSDRGERCTGDZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CC3CNC3)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRYWWIFTMVEQZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2c[nH]c(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHQTEXMECBMMI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(C3CNC3)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXNQDHLICQDHI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(C3CCNCC3)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CORWGGHQJKVJPO-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(-c2noc(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDDWMKILMSXBN-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cnc(OC)c(OC)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APBUZJATMIHNIA-LBPRGKRZSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cnc(OC)c(F)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNXXBOTXRFDUTI-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cnc(OC)c(C#N)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMKXLYOCTYFMV-LBPRGKRZSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cnc(OC)c(C(F)(F)F)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQLPQXMASARAFV-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4ccc(OC)nc4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESQOQKTGJFQCM-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cnc(OC)c(C)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCVOCKFPGVFIR-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cncc(S(C)(=O)=O)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDDVLVLXLZPCOV-LBPRGKRZSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cnc(OC)nc4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDBDGNRUOUSRC-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4ccc(OC)c(F)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRCVMXWPLHVMY-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4ccc(OC)c(OC)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUISUWIZDPMSLR-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cccc(S(C)(=O)=O)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAELPKCYBGDKPS-AWEZNQCLSA-N", "SMILES:CCCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cnc(OC)c(OC)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSGAEUQLWBUJK-AWEZNQCLSA-N", "SMILES:COc1cc(-c2cc3c(N[C@H]4CCN(C(=O)C(C)C)C4)ncnc3s2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHDZLQMUBHSKHA-AWEZNQCLSA-N", "SMILES:COc1cc(-c2cc3c(N[C@H]4CCN(C(=O)C(C)(C)C)C4)ncnc3s2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWEPOBGFMVZODN-AWEZNQCLSA-N", "SMILES:COc1cc(-c2cc3c(N[C@H]4CCN(C(=O)C5CC5)C4)ncnc3s2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIPMIAQFOCCQEU-HNNXBMFYSA-N", "SMILES:COc1cc(-c2cc3c(N[C@H]4CCN(C(=O)C5CCC5)C4)ncnc3s2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIWDDTANYCFAGR-INIZCTEOSA-N", "SMILES:COc1cc(-c2cc3c(N[C@H]4CCN(C(=O)C5CCCC5)C4)ncnc3s2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQBXGQQMODBCII-KRWDZBQOSA-N", "SMILES:COc1cc(-c2cc3c(N[C@H]4CCN(C(=O)C5CCCCC5)C4)ncnc3s2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSUYBMWWBSZCRC-KRWDZBQOSA-N", "SMILES:COc1cc(-c2cc3c(N[C@H]4CCN(C(=O)c5ccccc5)C4)ncnc3s2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQAPCEAOGDFWRN-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Oc2ncnc3sc(-c4cnc(OC)c(C#N)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLCHJQPJOKTAJ-LBPRGKRZSA-N", "SMILES:CCC(=O)N1CC[C@H](Oc2ncnc3sc(-c4cnc(OC)c(F)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQJCWYBZZNTIJU-ZDUSSCGKSA-N", "SMILES:CCC(=O)N1CC[C@H](Oc2ncnc3sc(-c4cnc(OC)c(OC)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEEFOOJDYHKEAX-AWEZNQCLSA-N", "SMILES:COc1cc(-c2cc3c(O[C@H]4CCN(C(=O)C(C)C)C4)ncnc3s2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARZDIORBSMIRDW-AWEZNQCLSA-N", "SMILES:COc1cc(-c2cc3c(O[C@H]4CCN(C(=O)C5CC5)C4)ncnc3s2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMPWFDUDUNZATG-HNNXBMFYSA-N", "SMILES:COc1cc(-c2cc3c(O[C@H]4CCN(C(=O)C5CCC5)C4)ncnc3s2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMJRWOZBSNKQHK-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4ccc(C#N)nc4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJRWDCKCSRHFK-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4ccc(F)c(C#N)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCVTJQQSDPRSY-AWEZNQCLSA-N", "SMILES:CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4ccc(S(C)(=O)=O)cc4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJCFYOWDATLAH-LBPRGKRZSA-N", "SMILES:CCC(=O)N1CC[C@H](Oc2ncnc3sc(-c4cnc(OC)c(C(F)(F)F)c4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQVAKZHOMXNHY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(Cc2ccccc2)C1"]}
{"name": "ATP-dependent Clp protease proteolytic subunit, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523305"], "id": "UniProtKB:Q16740", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBCNULROJZUPF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(CC2CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVDDLNGVCMNTG-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCc3c(c(=O)nc4n3CCN4Cc3ccccc3C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDEISXQVAKMSMI-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCc3c(c(=O)nc4n3CCN4Cc3ccccc3C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQVUPJPUJPAFBY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(Cc2ccccc2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSBWUSFOHGJFJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(Cc2cccc(C#N)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYGCZWOXMUEGF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(Cc2ccc(F)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVAWAYNPIFSKOY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(Cc2ccc(F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYIVUJLXROIJGY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(Cc2ccc(F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHTXAKBDZEBGE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(CCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQGJJIKMKDBURV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(Cc2cccnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBCILZPXZSSST-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(Cc2ccncc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPMMIDIPAKAHT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCCn2c1nc(=O)c1c2CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJWKHFFQDMENDR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCn2c1nc(=O)c1c2C(F)(F)CN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOBPKWCCQUXOSX-UHFFFAOYSA-N", "SMILES:CC(C)CCN1CCn2c1nc(=O)c1c2CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFMRURTXALYZOR-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPNHQTUCAKSBG-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKTDFKHWLJITMV-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOBQOVMBDPOCW-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOXNKDCHKSBRKF-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYLBPQXTYDSPKD-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFCAAQHCFCZWPL-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCn3c2nc(=O)c2c3CCN(Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRFDWCNYHPXSN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCn3c2nc(=O)c2c3CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKZDPNAZMGPKA-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN1CCn2c1nc(=O)c1c2CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZSEWLVRWQFQX-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCn3c2nc(=O)c2c3CCN(Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJVPXSBYMFMLV-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCn3c2nc(=O)c2c3CCN(Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMMZLFDMWHQTB-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUMYRQZFFNIKJS-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGQUMJGXYWZSB-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQPBOCBJUGACOV-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDASAIKCDQSOAH-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWOGUYDNRWOQJ-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCNLXOVUMYYQHZ-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDJUDQJWBSPFV-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYSXSKJUDERQH-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWKTAZRLLXZRF-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUWFTHQOWJBIV-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXNHOWULPTWEIK-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEIKJPKVLOSJO-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccc(Br)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGEUNMSYNAROFH-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKLKEVLVRRORA-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTWOPVCTOKUEIS-UHFFFAOYSA-N", "SMILES:O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297310", "category": ["biolink:ChemicalEntity"], "name": "DORDAVIPRONE", "xref": ["InChIKey:VLULRUCCHYVXOH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1C(=O)C2=C(CCN(Cc3ccccc3)C2)N2CCN=C12"], "synonym": ["Dordaviprone", "Dordaviprone", "Dordaviprona", "Dordaviprone", "Onc 201", "Onc-201", "Onc201", "NSC-350625", "ONC201", "TIC-10", "TIC10", "Dordaviprone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUVMSBNJBCLNG-ZRNNMTHPSA-N", "SMILES:O=C(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1cccc2c(OS(=O)(=O)C3CC4OC3C(c3ccc(O)cc3)=C4c3ccc(O)cc3)cccc12"]}
{"name": "Hexokinase-1", "xref": ["CHEMBL.TARGET:CHEMBL2688"], "id": "UniProtKB:P19367", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAMLLIDSYCUHMQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccc2ccccc12)C1CC2OC1C(c1ccc([Se]c3ccccc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMCQFYFLOLDQX-KRWDZBQOSA-N", "SMILES:C[C@H](Oc1ccc(-c2cc3c(C4=CCNCC4)ncnc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULGLKHDCJKSLZ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2[nH]c(-c3ccc(OCc4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCRWLZBBVHAPMS-UHFFFAOYSA-N", "SMILES:Nc1ncnc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXFLGXXXRVHGT-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(-c3cc4c(N5CCOCC5)ncnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXPOTMHFZSDTP-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(-c3nc4c(N5CCOCC5)ncnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDFKBCEJXDRKQ-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(-c3cc4c(N5CCNCC5)ncnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLABTHLWFOXJSR-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(-c3nc4c(N5CCNCC5)ncnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZBCUJJCMDXLL-UHFFFAOYSA-N", "SMILES:C1=C(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTMMANICVVGUIF-UHFFFAOYSA-N", "SMILES:C1=C(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc23)CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMAKHUKYSSPNLO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMYGGSDKRIHIHI-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGAFQNVPCUFIP-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(-c3cc4c(N5CCN(C6COC6)CC5)ncnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDFQYFZAUNAKDE-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(-c3cc4c(N5CCC6(CC5)COC6)ncnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHIXKZBOCCYYIP-UHFFFAOYSA-N", "SMILES:CC1(O)CCN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXEWHDVMGXBJJY-UHFFFAOYSA-N", "SMILES:O=C1CN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXUKWLNNJPWNTB-HDICACEKSA-N", "SMILES:C[C@@H]1CN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKJMAHWEERHXQP-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(-c3cc4c(N5CCCNCC5)ncnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSQHVGGZJTQNJ-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCDBBISOZIBQF-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(-c3cc4c(NC5CCNCC5)ncnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMBDWJOOARQYLI-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)c1ncnc2[nH]c(-c3ccc(OCc4ccccc4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDBNERAFLSYLG-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(-c3cc4c(-c5cn[nH]c5)ncnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXIOXKFXWBWEEG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMCQFYFLOLDQX-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(-c2cc3c(C4=CCNCC4)ncnc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMCQFYFLOLDQX-QGZVFWFLSA-N", "SMILES:C[C@@H](Oc1ccc(-c2cc3c(C4=CCNCC4)ncnc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQBXYQUDOVTJJ-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(-c2nc3c(C4=CCNCC4)ncnc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQBXYQUDOVTJJ-MRXNPFEDSA-N", "SMILES:C[C@@H](Oc1ccc(-c2nc3c(C4=CCNCC4)ncnc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQBXYQUDOVTJJ-INIZCTEOSA-N", "SMILES:C[C@H](Oc1ccc(-c2nc3c(C4=CCNCC4)ncnc3[nH]2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGLBSJVBKAPTH-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(-c2cc3c(C4=CCNCC4)ncnc3[nH]2)c(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGLBSJVBKAPTH-MRXNPFEDSA-N", "SMILES:C[C@@H](Oc1ccc(-c2cc3c(C4=CCNCC4)ncnc3[nH]2)c(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGLBSJVBKAPTH-INIZCTEOSA-N", "SMILES:C[C@H](Oc1ccc(-c2cc3c(C4=CCNCC4)ncnc3[nH]2)c(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWQGBRAJHDHPX-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(-c2nc3c(C4=CCNCC4)ncnc3[nH]2)c(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWQGBRAJHDHPX-OAHLLOKOSA-N", "SMILES:C[C@@H](Oc1ccc(-c2nc3c(C4=CCNCC4)ncnc3[nH]2)c(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWQGBRAJHDHPX-HNNXBMFYSA-N", "SMILES:C[C@H](Oc1ccc(-c2nc3c(C4=CCNCC4)ncnc3[nH]2)c(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGAOBFQEWUYLAV-SFHVURJKSA-N", "SMILES:Cc1cc(O[C@@H](C)c2ccccc2)ccc1-c1cc2c(C3=CCNCC3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWRCQIYQIIOIN-KRWDZBQOSA-N", "SMILES:COc1cc(O[C@@H](C)c2ccccc2)ccc1-c1cc2c(C3=CCNCC3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTTPVSXGGQVHKZ-INIZCTEOSA-N", "SMILES:C[C@H](Oc1ccc(-c2cc3c(C4=CCNCC4)ncnc3[nH]2)cc1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZOQZANGQSUEIM-SFHVURJKSA-N", "SMILES:Cc1cc(-c2cc3c(C4=CCNCC4)ncnc3[nH]2)ccc1O[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYIRCWJIARCZET-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c2c(c3ccccc31)C(=O)c1c[n+]([O-])c3ccccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFFXLSRLYVSWTQ-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCCn2c3c(c4ccccc42)C(=O)c2c[n+]([O-])c4ccccc4c2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMNMLFGSPUVNX-BDTNDASRSA-N", "SMILES:O=C1c2c[n+]([O-])c3ccccc3c2C(=O)c2c1c1ccccc1n2Cc1cn([C@@H]2C[C@H](O)[C@@H](CO)O2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGLDATJDRTXGQE-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCCCn2c3c(c4ccccc42)C(=O)c2c[n+]([O-])c4ccccc4c2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZVXLMUJWIPSQE-UHFFFAOYSA-N", "SMILES:O=C1c2c[n+]([O-])c3ccccc3c2C(=O)c2c1c1ccccc1n2CCCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJXGKCRDZTFSX-BJPBVECGSA-N", "SMILES:CNC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCC(C)C)C(C)C)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRIVTLCAZKSBNE-XSTSSERXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVWKHNVNZMJPK-GRHYQCSTSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKUDEUVBYNCMMH-POCWEVLXSA-N", "SMILES:CNC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQRADDNAMDMIQJ-SPKXGAQJSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPVNFSLCKUJQAW-KICBXSSHSA-N", "SMILES:CC(C)CCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOHIMFJMNSWXQP-KHVQSSSXSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccccc1)c1nc2cccc(-c3ccccc3)c2[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWWVKWRWOIOXBR-VWQOAKDWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCC1)NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)c1nc2cccc(-c3ccccc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHRAPWYUDIDKR-UNHORJANSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](CC(C)C)c1nc2cccc(-c3ccccc3)c2[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDASYFQKOJCMT-BGBFCPIGSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@H](c1nc2cccc(-c3ccccc3)c2[nH]1)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQRKRKVHJWRPI-QJSKOQLASA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUUFVYAQEDDXIV-BGBFCPIGSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc2cccc(-c3ccccc3)c2[nH]1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDSRTRLFYMNHAU-XTJUCFOSSA-N", "SMILES:CC(C)CCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)cn1CC1CCCCC1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVFYSGJIFMZBRW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMJTATVHPYHNG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(OC)cc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFRHDKFDGGURGW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc(F)c2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVFKOTWKHBCGN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1cc2[nH]c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRSRGHTQPAPQD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSSWABATBMWDC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTYLVHOLQBZIL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMMPBHNGMQADKO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWNFPHJLWSLJD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(OC)c1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKWBBSGKUWLKDN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cnc2ccccc2c1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRLZNASKQAPYDX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncccc2c1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEMRUQGSUPFDK-DLBZAZTESA-N", "SMILES:C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWWGQHOXOBYITL-ZWKOTPCHSA-N", "SMILES:C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOLOFVQOQGYKL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHVJMXAZIOXFEO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(CC)CC2)cc(OC)c1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNRZERCRSJMUJU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(OC)c(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZWFTKNCDXMDY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N1CCN(CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBGRVTQYUJDPEX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)ccc1N1CCN(CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMFNKKKDLNYFAC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(C)cc1N1CCN(CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKCGDGYNRZJRQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)nc1N1CCN(CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKYEIWKYAHKMJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPSBADLXSTGIE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N1CCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVSXXHFLYYFRB-KDURUIRLSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIKZMDSBHHTIA-OYRHEFFESA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N1C[C@@H](C)N(CC)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNCBNHZSVJSRHY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N1CCC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHBXBNOFYROYIV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N1CCC2(CCN(CC)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWSYGLMFNILAU-RTBURBONSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N1C[C@H]2C[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDIDNMGZRIMBKL-WOJBJXKFSA-N", "SMILES:CC#CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N1C[C@H]2C[C@@H]1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACWGNRNWQINJNM-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(OC)cc1N1CCN(CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKXEPXXGWKVPB-AOIWGVFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZNMVHYVBNOYGI-SOZISNCCSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSJUNZXZYWFAQ-AOIWGVFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(C(=O)C(C)C)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSJSGRKTOZSVPO-AHXNUJNFSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(C(=O)C(C)C)C2)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSLQPABJZUQBQC-GIWBLDEGSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(C(=O)Cc1ccccc1)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSHBUAFJDWFNV-CFCWAZJESA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(C(=O)Cc1ccccc1)C2)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYJCRYARNXWHY-VYDXJSESSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(S(C)(=O)=O)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTESNTDBHXHCDT-DTSOYLDXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTWKYWOPHSWEMW-KYQLVUBVSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQPLZTPQXZESRI-ZDHYPXPISA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(S(C)(=O)=O)C2)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZZVGXWOXFANO-FBUBALKHSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CCC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKISQXRPSDIWRV-WYWGURMMSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CCC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPYBAWKLIGYCT-DYXWJJEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUAKTRYICUBEOP-LXLBIFKCSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLBUCUACJSZEPS-DYXWJJEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)C(C)C)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHSFCJWAACHRJJ-ZHZNCWTJSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)C(C)C)CC2)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPGYHGZPGLHSI-CUYJMHBOSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)Cc3ccccc3)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNFOGJCQQVNOP-FCDZJTCVSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)Cc3ccccc3)CC2)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKEKQPXGEGSTJK-AOIWGVFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(S(C)(=O)=O)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFNUPGDCNWZVIM-SOZISNCCSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(S(C)(=O)=O)CC2)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYGBEDFOFBFMF-AOIWGVFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(C#N)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPDMVGHWSMUCI-SOZISNCCSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2(CCN(C#N)CC2)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFTVSZHWDPVRGS-SVGOYWSDSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYECSLBCPAPILQ-VYDXJSESSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CN(C(=O)OC(C)(C)C)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDVIZBLPYPPUPF-ZDHYPXPISA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CN(C(=O)OC(C)(C)C)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNDCXNQIWWRZEP-IKGGRYGDSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1(C)CN(C(=O)OC(C)(C)C)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIDDFVQERNDIEE-FGJNRCIISA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1(C)CN(C(=O)OC(C)(C)C)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXAVIZDYSIRAK-SQNIBIBYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CN(C(=O)OC(C)(C)C)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVXZBVDBUHCIG-SVGOYWSDSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CN(C(=O)OC(C)(C)C)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHJSDYSGESTDKN-FSSWDIPSSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CN(C(=O)Cc2ccccc2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXPISQWQHACOR-AKJNIPCCSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CN(C(=O)Cc2ccccc2)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHHXXOWXBTYSNU-XHBHRCDMSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CN(C(=O)C2CC3CCC2C3)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXVWEDXSRLHBJA-WIJFJTJESA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CN(C(=O)C2CC3CCC2C3)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBJVAVFPLJZST-PMPSAXMXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CN(S(C)(=O)=O)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRILKKGNLSTTAH-JCIPLLDPSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CN(S(C)(=O)=O)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXAVIZDYSIRAK-CRZNDOOOSA-N", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O)C1CN(C(=O)OC(C)(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVXZBVDBUHCIG-JWLJLYRTSA-M", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)C(O)S(=O)(=O)[O-])C1CN(C(=O)OC(C)(C)C)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCVUEVLBIGMBO-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)cc(F)c2N(c2cccc(F)c2)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQHFWKOHBYRFQG-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)cc(F)c2N(c2cccc(F)c2)C2c3[nH]c4ccc(Cl)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKWGUWKJMQJVMW-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)cc(F)c2N(c2cccc(F)c2)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCIBJAJRPYQVPL-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)cc(F)c2N(c2cccc(F)c2)C2c3[nH]c4ccc(O)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYKRVNAQHOFNRI-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)cc(F)c2N(c2cccc(F)c2)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLHXMPSXEPEXGY-UHFFFAOYSA-N", "SMILES:CCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)cc(F)c2N(c2cccc(F)c2)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDBNTKGBPRURM-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)cc(F)c2N(c2cccc(F)c2)C2c3[nH]c4ccccc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZIYHBAIMRHPX-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDKVCQSVUOFSK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c(Cc3ccc(F)cc3)sc3c2CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZQFVRFJCGDKF-UHFFFAOYSA-N", "SMILES:Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWXTNXFYIFXLF-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVAVUQBBODXPI-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCCC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZNSIGNAJKNCU-KRWDZBQOSA-N", "SMILES:C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCCCC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJGHZKOKNHHQR-ZENAZSQFSA-N", "SMILES:CCC1CCc2c(sc(CCc3ccc(F)cc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLXGYIHRKNZSHF-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1COCC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSWNEFIAQGNRNK-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CC(C)(C)OC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWAUQGMHPAEJN-SFHVURJKSA-N", "SMILES:C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3670685", "category": ["biolink:ChemicalEntity"], "name": "PALUPIPRANT", "xref": ["InChIKey:MKLKAQMPKHNQPR-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1"], "synonym": ["Palupiprant", "Palupiprant", "Palupiprant", "E 7046", "Er-886046", "ER 886046"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APEVIMNVMJPHEE-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1c(NCc2ccc(C(F)(F)F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JODYCIPGATWVBC-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c(C#Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRKBUUKEUNPFT-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1c(C#Cc2ccc(=O)[nH]c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARCBEJMSGCEMP-INIZCTEOSA-N", "SMILES:COc1cccc(C#Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUUPPBMHNVAHSC-SFHVURJKSA-N", "SMILES:COc1ccc2cc(C#Cc3sc4c(c3C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)CCOC4)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZKMOZWGZUOHV-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1c(Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSUJHCNGVYBISU-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1c(Cc2cccc(F)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXBORMLOKAXKZ-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1c(Cc2ccc(C(F)(F)F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZQWPLHVNKYOAS-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSRXMYGDSMALRV-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1c(Cc2ccc(Cl)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHLSYAIWLLSAW-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1c(Cc2cccc(Cl)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIVEJRXLVQUCK-HNNXBMFYSA-N", "SMILES:COc1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTVXKEMSHVKZOM-HNNXBMFYSA-N", "SMILES:COc1cccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIDPPJKMDADILI-AWEZNQCLSA-N", "SMILES:COc1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXIYAKOMWNUVNG-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)c1c(Cc2ccc(OC(F)(F)F)c(Cl)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVMKPYVRZHLNNN-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)c1c(Cc2cc(F)c(Cl)cc2Cl)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLACKLPRBHBAL-INIZCTEOSA-N", "SMILES:Cc1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFMLKOWYQAYEIU-KRWDZBQOSA-N", "SMILES:CC(C)c1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGYSXQEWILMKY-KRWDZBQOSA-N", "SMILES:C[C@H](NC(=O)c1c(Cc2ccc(C(C)(C)C)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZKMOZWGZUOHV-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)c1c(Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWCATKRIRFSGD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C2(NC(=O)c3c(Cc4ccc(F)cc4)sc4c3CCOC4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMIWRSUGMHLKAW-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCC(C(=O)O)CC1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLABPBMATIKXEU-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1c(Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)NN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGPYXIFZKUNFY-INIZCTEOSA-N", "SMILES:CON(C)C(=O)c1ccc([C@H](C)NC(=O)c2c(Cc3ccc(F)cc3)sc3c2CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODYUZGSOPMSMBL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c(Cc3cccc(C(F)(F)F)c3)sc3c2CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBTXZLVSFCNFLT-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCC(C(=O)O)CC1)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRANNZXWRRKXGV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C2(NC(=O)c3c(Cc4cccc(C(F)(F)F)c4)sc4c3CCOC4)CC2)cc1"]}
{"name": "Prostaglandin E2 receptor EP4 subtype", "xref": ["CHEMBL.TARGET:CHEMBL2489"], "id": "UniProtKB:P32240", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVSHSHJCYQFPD-DHZHZOJOSA-N", "SMILES:Cc1c(CNCCNC(=O)/C=C/c2cccnc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDHZEJNNVIVKE-FMIVXFBMSA-N", "SMILES:Cc1c(CNCCCNC(=O)/C=C/c2cccnc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYSXHOENQIZGL-JLHYYAGUSA-N", "SMILES:Cc1c(CNCCCCNC(=O)/C=C/c2cccnc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNDQWMXVXRSYMU-SDNWHVSQSA-N", "SMILES:Cc1c(CNCCCCCNC(=O)/C=C/c2cccnc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYSENMASXSYBH-NTCAYCPXSA-N", "SMILES:Cc1c(CNCCCCCCNC(=O)/C=C/c2cccnc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBCCTNLFSMLQDE-XNTDXEJSSA-N", "SMILES:Cc1c(CNCc2ccc(NC(=O)/C=C/c3cccnc3)cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLOSQDBIWSANFJ-NTCAYCPXSA-N", "SMILES:Cc1c(CNCc2ccc(CNC(=O)/C=C/c3cccnc3)cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJAUZKCZAINLG-XNTDXEJSSA-N", "SMILES:Cc1c(CNc2ccc(CCNC(=O)/C=C/c3cccnc3)cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYJGDSEWBPUCS-DHZHZOJOSA-N", "SMILES:Cc1c(CN2CCC(CNC(=O)/C=C/c3cccnc3)CC2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGPQLGDWIZDOY-DHZHZOJOSA-N", "SMILES:Cc1c(CN2CCC(CCNC(=O)/C=C/c3cccnc3)CC2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNQJJVKWFMPNS-DHZHZOJOSA-N", "SMILES:Cc1c(CN2CCN(CCNC(=O)/C=C/c3cccnc3)CC2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEQFLGVCRXHHY-FMIVXFBMSA-N", "SMILES:Cc1c(CN(C)CCNC(=O)/C=C/c2cccnc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQXFPCEEOATAU-JLHYYAGUSA-N", "SMILES:CCN(CCNC(=O)/C=C/c1cccnc1)Cc1oc2c(c1C)C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGCZDHVLXSBHA-DTQAZKPQSA-N", "SMILES:Cc1c(CN(CCNC(=O)/C=C/c2cccnc2)c2ccccc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJQTKYZRWTJDA-OVCLIPMQSA-N", "SMILES:Cc1c(CNc2ccc(NC(=O)/C=C/c3cccnc3)cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQDKERWIQWQRB-OVCLIPMQSA-N", "SMILES:Cc1c(CN2CCC(c3ccc(NC(=O)/C=C/c4cccnc4)cc3)CC2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWJKLOMSRSOSO-JLHYYAGUSA-N", "SMILES:CCCN(CCNC(=O)/C=C/c1cccnc1)Cc1oc2c(c1C)C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGGRZNYOVKZMY-DTQAZKPQSA-N", "SMILES:Cc1c(CN(CCNC(=O)/C=C/c2cccnc2)Cc2ccccc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBEHMHLXXRGWSZ-UHFFFAOYSA-N", "SMILES:Cn1c(CN2CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC2)nc2ccncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBNQVJGRZIRPQ-UHFFFAOYSA-N", "SMILES:Cn1c(CN2CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC2)nc2nccc(NCC(=O)O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDHZDONBOMVLZ-UHFFFAOYSA-N", "SMILES:Cn1c(CN2CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC2)nc2ccc(C(=O)O)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFXPEJAGKQFBER-UHFFFAOYSA-N", "SMILES:CCn1cncc1Cn1c(CN2CCC(c3cccc(OCc4ccc(F)cc4F)n3)CC2)nc2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFRZXHZSYIILV-UHFFFAOYSA-N", "SMILES:Cn1c(CN2CCC(c3nc(OCc4ccc(Cl)cc4F)ncc3F)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJEGTRPXGMXUTO-IKGLDXFJSA-N", "SMILES:CC(=O)N[C@@H]1C[C@H](C)CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMJDHFDXROKDA-QKKBWIMNSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CCC(F)(F)[C@H](CO)C5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMJDHFDXROKDA-SZNDQCEHSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CCC(F)(F)[C@@H](CO)C5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGLHACLWFOJMH-XLIONFOSSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CCC(F)(F)[C@H](O)C5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGLHACLWFOJMH-PXNSSMCTSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CCC(F)(F)[C@@H](O)C5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKIKTQLOBNLUOX-GOEBONIOSA-N", "SMILES:C[C@H]1C[C@@H](O)CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXSGZFGJNDDCH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)C(CO)C4)ncc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBBGJWQRZERCH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)C(O)C4)ncc3Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJEGTRPXGMXUTO-OSDILXSKSA-N", "SMILES:CC(=O)N[C@H]1C[C@@H](C)CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPQGUGFUKNXBFU-MBSHLRGSSA-N", "SMILES:C[C@H]1C[C@@H](N(C)C)CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPQGUGFUKNXBFU-SKDDIYDISA-N", "SMILES:C[C@@H]1C[C@H](N(C)C)CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGDUDAFETZSPM-IATAILRESA-N", "SMILES:C[C@H]1C[C@@H](O)CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGDUDAFETZSPM-DHZVRSILSA-N", "SMILES:C[C@@H]1C[C@H](O)CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGDUDAFETZSPM-XNVILDLWSA-N", "SMILES:C[C@@H]1C[C@@H](O)CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGDUDAFETZSPM-ODIUBACGSA-N", "SMILES:C[C@H]1C[C@H](O)CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMCUPDSIABGSG-VFNWGFHPSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CCC[C@@H](O)C5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMCUPDSIABGSG-BTYIYWSLSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CCC[C@H](O)C5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBIACINZYUBHFF-FPTDNZKUSA-N", "SMILES:C[C@H]1CCCN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBIACINZYUBHFF-PEBXRYMYSA-N", "SMILES:C[C@@H]1CCCN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYIYJVINXLABDJ-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCIZLNJTQPBDJE-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2c(cnn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZFYZKKSVRXFD-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2cnn(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPPFEAJYINUYGH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc3c(cnn3C)c2)C(C(=O)OCc2ccccc2)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAMYDJHSRDFELL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCc2ccccc2)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTKHITZLGMPCPE-UHFFFAOYSA-N", "SMILES:COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)C1c1ccc2c(cnn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJKUXCGLFIJVRX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2cccs2)C(c2ccc3c(cnn3C)c2)C(C(=O)OCc2cccs2)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNFKOSIBBIBSR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccco2)C(c2ccc3c(cnn3C)c2)C(C(=O)OCc2ccco2)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIBLXUOREHSWCN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2cncs2)C(c2ccc3c(cnn3C)c2)C(C(=O)OCc2cncs2)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINIPTTTZPEEKT-DHIUTWEWSA-N", "SMILES:CC1=C(C(=O)O[C@H](C)c2ccccc2)C(c2ccc3c(cnn3C)c2)C(C(=O)O[C@H](C)c2ccccc2)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINIPTTTZPEEKT-GOTSBHOMSA-N", "SMILES:CC1=C(C(=O)O[C@@H](C)c2ccccc2)C(c2ccc3c(cnn3C)c2)C(C(=O)O[C@@H](C)c2ccccc2)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMFGGBPJBBARY-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPJJWWVRHJYCAN-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNPEQZHMGFNAY-GEALJGNFSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)[C@H]2C[C@H]21)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXPKDANYCNRFJ-HRZJXZCXSA-N", "SMILES:COC1CCC(NC[C@@H](C(=O)N2CCN(c3ncnc4c3[C@H](C)CC(=O)N4)[C@H]3C[C@H]32)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPUNYDJJOWODU-LJQANCHMSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2CCC(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIVHEGAZSBQQQ-LRTDYKAYSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2C(C)CC(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLWWTXSONLTEJK-GMUIIQOCSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2N(C)CC(=O)N3)CC1)c1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIKLFZDDZQLFG-GOSISDBHSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2N(C)C(=O)CN3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIVHEGAZSBQQQ-VQIMIIECSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5200967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXJORAFRRFTOMV-MSOLQXFVSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@@H](C(F)(F)F)CC(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXJORAFRRFTOMV-QZTJIDSGSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C(F)(F)F)CC(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZNFILRIPQRBJZ-ALAWQYECSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2CC(C)C(=O)N3)CC1)c1ccc(Cl)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYUOIUFXMFLLE-OXQOHEQNSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2C[C@@H](C)C(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYUOIUFXMFLLE-OXJNMPFZSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2C[C@H](C)C(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHMFFVNUPLZBKN-KPMSDPLLSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2C(C)OC(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGDBQSPOIETJJ-KQKCUOLZSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@@H](C)OC(=O)N3)CC1)c1ccc(Cl)cc1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHMFFVNUPLZBKN-MAUKXSAKSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBKHULLGXKATKS-IPMKNSEASA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H]2C[C@H]2C(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBKHULLGXKATKS-CEXWTWQISA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@@H]2C[C@@H]2C(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQQISMLFAWNEA-OXQOHEQNSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CC=C(c2ncnc3c2[C@H](C)CC(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWOJTYIGFIFRFV-RDPOXOKHSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1C[C@@H]2CN(c3ncnc4c3[C@H](C)CC(=O)N4)C[C@@H]2C1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOPGPDSJULLECN-MBOZVWFJSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)[C@H](C)C1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5181308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHZMQVYDBKLDOE-BTWUCOSQSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CC2CC1CN2c1ncnc2c1[C@H](C)CC(=O)N2)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQQEZBDGZMPOB-YLJYHZDGSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)CC12CC2)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVILZAYPAZXMBS-VYZBTARASA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)C[C@@H]1C)c1ccc(Cl)cc1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHNQKIFPQKEFS-MBOZVWFJSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)C[C@H]1C)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5195745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIFZRCVAOWEYQE-XZSMBWTPSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1C2CCC1CN(c1ncnc3c1[C@H](C)CC(=O)N3)C2)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLWDLYTQZSZKP-XZSMBWTPSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CC2CCC(C1)N2c1ncnc2c1[C@H](C)CC(=O)N2)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNPEQZHMGFNAY-XLNTUCKNSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)[C@@H]2C[C@@H]21)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIVHEGAZSBQQQ-YOLYSNTFSA-N", "SMILES:[2H]C1([2H])N(C(=O)[C@H](CNC(C)C)c2ccc(Cl)cc2)C([2H])([2H])C([2H])([2H])N(c2ncnc3c2[C@H](C)CC(=O)N3)C1([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFIULMNQQUABKQ-KCUHQSDYSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(c1ncnc3c1[C@H](C)OC(=O)N3)C2)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDWJXNZFXDTBIZ-KCUHQSDYSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncnc2c1[C@H](C)OC(=O)N2)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWWJBSCMVJFFQ-KLIQENQMSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC(=O)N3)[C@H]2C[C@H]21)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYIKCAIXOKGTA-VJJOGWKDSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1C2CCC1CN(c1ncnc3c1N(C)CC(=O)N3)C2)c1ccc(Cl)cc1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXAFEJJOSZHVME-HSALFYBXSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncnc2c1N(C)CC(=O)N2)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWPGAXIXIAUWJK-CEXWTWQISA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2N(C)CC(=O)N3)[C@H]2C[C@H]21)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJSODPNZWPNBR-PPRPKMEESA-N", "SMILES:C[C@@H]1CC(=O)Nc2ncnc(N3CCN(C(=O)[C@H](CNC4CC4)c4ccc(Cl)cc4)[C@@H]4C[C@@H]43)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5199199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMAWINZBRBLNOW-GKTDGSLASA-N", "SMILES:C[C@@H]1CC(=O)Nc2ncnc(N3CCN(C(=O)[C@H](CNC4C5COCC54)c4ccc(Cl)cc4)[C@@H]4C[C@@H]43)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODXLOWHHBMQSMU-VDNDLQMASA-N", "SMILES:C[C@@H]1CC(=O)Nc2ncnc(N3CCN(C(=O)[C@H](CN)c4ccc(Cl)cc4)[C@@H]4C[C@@H]43)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIVHEGAZSBQQQ-QFBILLFUSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@@H](C)CC(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOYYZWVHKVWBGY-OXQOHEQNSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CCC(c2ncnc3c2[C@H](C)CC(=O)N3)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPRORMBDCPTVHB-VQIMIIECSA-N", "SMILES:CC(C)NC[C@@H](C(=O)N1CC2(C1)CN(c1ncnc3c1[C@H](C)CC(=O)N3)C2)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIZGWXPFCOCFG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(N)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTZKMBPGVDXOS-YXKTVTGNSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVRMYEBTTBZSJJ-PRKMUNIXSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGREOKNJDVFSX-QBOWUWCZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYVXZJJETFDCMM-YOHOSCLUSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETMYWAUBVBABL-KNIQQNQGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIKBROOIDUARGQ-YXKTVTGNSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTBKPAJZZSWKG-PRKMUNIXSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPVOGBTMQCIAB-QBOWUWCZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOUXWQXQFITHV-QBOWUWCZSA-N", "SMILES:CSCC[C@@H](C(=O)N1CCC[C@H]1C(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGOVNBYALNSOHR-QZCIJFHVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXHDGANXIWOBA-LDAIJWBXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIZCCTVYPJKZBP-MXRVHOMPSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRXSTLBPVIGRX-VKJDRHFZSA-N", "SMILES:CSCC[C@@H](C(=O)N1CCC[C@H]1CC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHZWTIGUNTHAS-RWCCSHLZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGIEOGNSCZDJK-RYIWLDFASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1CC(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAZIQKZKFNJLA-YSEMLTDISA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1CC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIXYSCCUVKNDA-AAWFDSEJSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1CC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZCXNBTGUHDRZ-WDQSGBGGSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1CC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKBGNTVZCZTJL-VAPQODERSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1CC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPLPLBVUEJOBPI-QZCIJFHVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWMKDFWGODMEQ-UJARKJSPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAUXWYSXTQMGSO-UJARKJSPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEAGDTHATZZACO-UJARKJSPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAARMQUENBUSOG-DATVRVMLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLXRZGSQUXDCT-BPAOWUMVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIJSDGADEZEMHH-DLXWRWKMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVDPKGPPYGTKTO-DLXWRWKMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDXHHAMMHFWEA-KNIQQNQGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594433", "category": ["biolink:ChemicalEntity"], "name": "ML-246", "xref": ["InChIKey:WSMXAUJFLWRPNT-DIVCQZSQSA-N", "SMILES:N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1"], "synonym": ["Metarrestin", "Ml-246", "ML-246"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFZOXZGJPFVLR-RQZICYRLSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cn1cc(COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)nn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVOOAXPWRCTVBL-JNHPPFJCSA-N", "SMILES:C[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cn1cc(COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)nn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXBSCBRRLRYLDH-MGUHWJCKSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cn1cc(COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)nn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSIHJQCVCQZLHG-GIOGHQJGSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCn1cc(COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)nn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQMKUGPXORLQRW-GJMZJNTJSA-N", "SMILES:C[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCC(=O)N[C@@H](CCCn1cc(COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)nn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVICEFYKFRDYSK-IEFZNSLQSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN(C)CC/C=C1\\c2ccccc2COc2ccccc21)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCn1cc(COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)nn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWLBAFOJQGXRT-IJFNKIATSA-N", "SMILES:C[C@H](NC(=O)CCN(C)CC/C=C1\\c2ccccc2COc2ccccc21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCC(=O)N[C@@H](CCCn1cc(COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)nn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAMLGUTBGRDRD-QNRMUOFQSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVQCEDAQVCMUMJ-COFPORDPSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKRDTWKYDAZEDK-JULJLEPOSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNDONGXFTYKMLH-RWVXDOGGSA-N", "SMILES:C[C@H](NC(=O)[C@@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDRWUPXTFUGOS-MPQVNBNESA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXATNRERUVCBU-WFTKEWGUSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLMUWHQCCKUEO-NPFMKCIRSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZUTRSAZIHROT-BMCQDNBRSA-N", "SMILES:C[C@H](NC(=O)[C@@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEFVPDIMIUWUSA-URIURATESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAGYNMVSFCLCI-DWKZJMNWSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUFCRYDWDBOHAG-WTRYCTIGSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCGKDIOBRLBMW-NQWWTRHBSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCSNJXNSDFJQI-ZEZSNTLFSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(/C=C/c3ccc(OCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCN4CCC(Oc5ccccc5Cc5ccccc5)CC4)C(C)C)C(N)=O)cc3)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMLNXCFZUQNEQM-BMJBYNBDSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXUZGQJWBLLFNP-QRVRCHAVSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCN3CCC(Oc4ccccc4Cc4ccccc4)CC3)C(C)C)C(N)=O)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPUROJDZOUJNL-QOBXKKAESA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCN3CCC(Oc4ccccc4Cc4ccccc4)CC3)C(C)C)C(N)=O)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5186049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOFLBEBRWWROJJ-KHHYXOCJSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCCCC[N+]1=C(/C=C/C=C/C=C2/N(C)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLCPKAMLKRMAOM-AFFHFKCISA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMVAXNZPXEDRN-ZMRYOQFXSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(/C=C/c3ccc(OCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC(=O)CCN4CCC(Oc5ccccc5Cc5ccccc5)CC4)C(N)=O)cc3)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFHCELJLORPDV-IWLBMJCGSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONHVKLIYWSZJJZ-VYUUOWPSSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCN3CCC(Oc4ccccc4Cc4ccccc4)CC3)C(N)=O)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYZMYGQOPLJKA-DTFOHTQKSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCN3CCC(Oc4ccccc4Cc4ccccc4)CC3)C(N)=O)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSHDTUCNXCSMQ-MYQIIKOESA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCCCC[N+]1=C(/C=C/C=C/C=C2/N(C)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSVVEXGAAAWMNF-QHMXGELZSA-N", "SMILES:C[C@@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCCORMQECCDMI-KWHBQZNLSA-N", "SMILES:C[C@H](NC(=O)CNC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLKMQORFEGZMPK-ZPBGSLHZSA-N", "SMILES:C[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJIZPPMGNLQGOZ-PZFBUYMYSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOIPMRMTVUNZQC-VNUPBNHGSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMPIZDJGWNPIND-RBAJLJJXSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWUHNUTOQPEJK-LWYBVUOESA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSQQEPLIMXLFJ-LWYBVUOESA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEEOWVKPSXYOMO-ILDAOAGGSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5178882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXQIRYFIYJPWNG-OFBSIHPXSA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDIBCOCKBMRHC-LWYBVUOESA-N", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFTDYJSGMITWBN-XBZKGDHESA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYCNPQKXQBQRN-MMAYBBQWSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPMHYYFFJULORH-FMBCIXMWSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYVROKDKLZAEDG-NHAURYCGSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BELDKTVFEUCVNP-FUGQWFOLSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUWLXWFJLOLHNT-WLSFMUJOSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPFOHPKXHCZNW-GHRVNGAJSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLTGYTXCSFAYEW-VBVDHNPNSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMHKRUPIQFGLQ-WLSFMUJOSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBEKEJRTUMLGFO-JRJABSJZSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVYJTCFSYEQHS-JMAPMMMHSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIIBXACVTMSUOG-SLNLPEDUSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZHKISBSNKTCLM-SLNLPEDUSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5206578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBLGSVGWIQDDHC-ZERKYRJWSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZCCSOKPCEDQA-YUAZUINTSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEUGKKCMESLSGI-LDBXAMNXSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMMQCNYANQWSQJ-SWWZGNLPSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROWGQEGFUGBKIY-YUAZUINTSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZCCSOKPCEDQA-QFOROZRWSA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZHKISBSNKTCLM-PUTFYWIISA-N", "SMILES:CC(C)[C@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSISHJJTAXXQAX-ZETCQYMHSA-N", "SMILES:C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1628717", "category": ["biolink:ChemicalEntity"], "name": "DRAFLAZINE", "xref": ["InChIKey:IWMYIWLIESDFRZ-UHFFFAOYSA-N", "SMILES:NC(=O)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl"], "synonym": ["Draflazine", "Draflazine", "Draflazina", "R 75231", "R-70380", "R-75231", "R70380", "R75231", "Draflazine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282468", "category": ["biolink:ChemicalEntity"], "name": "CHOLINE CHLORIDE", "xref": ["InChIKey:SGMZJAMFUVOLNK-UHFFFAOYSA-M", "SMILES:C[N+](C)(C)CCO.[Cl-]"], "synonym": ["Choline chloride", "Chlorure de choline", "Cloruro de colina", "Choline chloride", "Hormocline", "Lipotril", "Paresan", "FEMA NO. 4500", "NSC-402838"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL197027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPYKHUMNFAMIBL-UHFFFAOYSA-L", "SMILES:C[N+]1(C)CCOC(O)(c2ccc(-c3ccc(C4(O)C[N+](C)(C)CCO4)cc3)cc2)C1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231821", "category": ["biolink:ChemicalEntity"], "name": "HYDROCHLORIC ACID", "xref": ["InChIKey:VEXZGXHMUGYJMC-UHFFFAOYSA-N", "SMILES:Cl"], "synonym": ["Hydrochloric acid", "E507", "Hydrogen chloride", "Acidum hydrochloricum", "Acidum hydrochloricum dilutum", "Anhydrous hydrochloric acid", "Baume hcl", "Dilute hydrochloric acid", "Diluted hydrochloric acid", "Enplate po 236", "Hydrochloric acid, diluted", "Icon etch", "Muriatic acid", "Muriaticum acidum", "E-507", "INS NO.507", "INS-507", "NSC-77365"], "chembl_natural_product": true}
{"name": "Solute carrier family 26 member 9", "xref": ["CHEMBL.TARGET:CHEMBL4523359"], "id": "UniProtKB:Q7LBE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283800", "category": ["biolink:ChemicalEntity"], "name": "CREATINE", "xref": ["InChIKey:CVSVTCORWBXHQV-UHFFFAOYSA-N", "SMILES:CN(CC(=O)O)C(=N)N"], "synonym": ["Creatine", "Cosmocair c 100", "Creatine", "Kreatinum", "Neotine", "NSC-8752", "Creatine"], "chembl_natural_product": true}
{"name": "Sodium- and chloride-dependent creatine transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL5209634"], "id": "UniProtKB:P48029", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL543876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBSKSYCRFWIRU-UHFFFAOYSA-N", "SMILES:Cl.Cl.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXAVEPYKEYQYMJ-UHFFFAOYSA-N", "SMILES:CNc1ccc2c(CCN)cc(=O)oc2c1"]}
{"name": "Chromaffin granule amine transporter", "xref": ["CHEMBL.TARGET:CHEMBL1838"], "id": "UniProtKB:P54219", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411729", "category": ["biolink:ChemicalEntity"], "name": "CYTOCHALASIN B", "xref": ["InChIKey:GBOGMAARMMDZGR-TYHYBEHESA-N", "SMILES:C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O"], "chembl_natural_product": true}
{"name": "Solute carrier family 2, facilitated glucose transporter member 2", "xref": ["CHEMBL.TARGET:CHEMBL5873"], "id": "UniProtKB:P11168", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRSWCCBXIHFKKY-UHFFFAOYSA-N", "SMILES:O=C(Oc1cccc(F)c1OC(=O)c1cccc(O)c1)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDORQEIHOKEJNX-UHFFFAOYSA-N", "SMILES:CN(CCC(Oc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1)CC(=O)O"]}
{"name": "Sodium-dependent phosphate transport protein 2A", "xref": ["CHEMBL.TARGET:CHEMBL3769299"], "id": "UniProtKB:Q06495", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200925", "category": ["biolink:ChemicalEntity"], "name": "POTASSIUM PHOSPHATE, MONOBASIC", "xref": ["InChIKey:GNSKLFRGEWLPPA-UHFFFAOYSA-M", "SMILES:O=P([O-])(O)O.[K+]"], "synonym": ["Monobasic potassium phosphate", "Potassium phosphate, monobasic", "Potassium acid phosphate", "Potassium biphosphate", "Potassium phosphate monobasic", "Potassium phosphate,monobasic", "E-340(I)", "INS NO.340(I)", "INS-340(I)", "Pot dihydrogen phos", "Potassium phosphate, monobasic component of tis-u-sol"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1200559", "category": ["biolink:ChemicalEntity"], "name": "LACTIC ACID", "xref": ["InChIKey:JVTAAEKCZFNVCJ-UHFFFAOYSA-N", "SMILES:CC(O)C(=O)O"], "synonym": ["Lactic acid", "Lactic acid", "E270", "Lactic acid", "Dl-lactic acid", "Acidum lacticum", "Dl- lactic acid", "L-lactic acid or dl-lactic acid", "Lactic acid", "Lactic acid, dl-", "Lactic acid, unspecified form", "Lactic acid,buffered", "Lacticum acidum", "Lurex", "Milk acid", "Ordinary lactic acid", "Racemic lactic acid", "Tonsillosan", "E 270", "E-270", "FEMA NO. 2611", "HIPURE 88", "INS NO.270", "INS-270", "NSC-367919", "PURAC FCC 80", "PURAC FCC 88", "Lactic acid component of phexxi"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Solute carrier family 23 member 1", "xref": ["CHEMBL.TARGET:CHEMBL5209632"], "id": "UniProtKB:Q9UHI7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76232", "category": ["biolink:ChemicalEntity"], "name": "D-GLUTAMATE", "xref": ["InChIKey:WHUUTDBJXJRKMK-GSVOUGTGSA-N", "SMILES:N[C@H](CCC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL29757", "category": ["biolink:ChemicalEntity"], "name": "D-ASPARTATE", "xref": ["InChIKey:CKLJMWTZIZZHCS-UWTATZPHSA-N", "SMILES:N[C@H](CC(=O)O)C(=O)O"], "synonym": ["D-aspartate", "D-aspartic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL474133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBMGNDPBARCLFT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(c2cccc4ccccc24)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPWONNPEPDHEAI-GJZGRUSLSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O"]}
{"name": "Cationic amino acid transporter 3", "xref": ["CHEMBL.TARGET:CHEMBL5209633"], "id": "UniProtKB:Q8WY07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3184113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTYBZJRPHEQDG-WCCKRBBISA-N", "SMILES:Cl.NCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8085", "category": ["biolink:ChemicalEntity"], "name": "LYSINE", "xref": ["InChIKey:KDXKERNSBIXSRK-YFKPBYRVSA-N", "SMILES:NCCCC[C@H](N)C(=O)O"], "synonym": ["Lysine", "Lysine", "Lisina", "Lysine", "Lysine", "Lysine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4129927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYRVMSXMHEDTL-UHFFFAOYSA-M", "SMILES:CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL271379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFDFRDXIIKROAI-UHFFFAOYSA-M", "SMILES:C[n+]1ccc(-c2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDAISMWEOUEBRE-NIPYSYMMSA-N", "SMILES:O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "Sodium/myo-inositol cotransporter 2", "xref": ["CHEMBL.TARGET:CHEMBL1744524"], "id": "UniProtKB:Q8WWX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium/hydrogen exchanger 9B2", "xref": ["CHEMBL.TARGET:CHEMBL5209631"], "id": "UniProtKB:Q86UD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPFJLLXFNPCTDW-UHFFFAOYSA-N", "SMILES:CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1237129", "category": ["biolink:ChemicalEntity"], "name": "1R,2S-MILNACIPRAN HYDROCHLORIDE", "xref": ["InChIKey:XNCDYJFPRPDERF-PBCQUBLHSA-N", "SMILES:CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256695", "category": ["biolink:ChemicalEntity"], "name": "NISOXETINE HYDROCHLORIDE", "xref": ["InChIKey:LCEURBZEQJZUPV-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1ccccc1OC)c1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGTZMJIMMUNLQD-STYNFMPRSA-N", "SMILES:CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNBCGLZYLJMGKP-LUDZCAPTSA-N", "SMILES:NC[C@H](O)c1ccc(O)c(O)c1.O.O=C(O)[C@H](O)[C@@H](O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1200818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXIPWWIOISBDD-NDAAPVSOSA-N", "SMILES:CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235017", "category": ["biolink:ChemicalEntity"], "name": "OROTIC ACID", "xref": ["InChIKey:PXQPEWDEAKTCGB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(=O)[nH]c(=O)[nH]1"], "synonym": ["Orotic acid", "Acide orotique", "Acido orotico", "Animal galactose factor", "Oropur", "Orotic acid", "Orotyl", "Whey factor", "NSC-9791"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL576", "category": ["biolink:ChemicalEntity"], "name": "SUCCINIC ACID", "xref": ["InChIKey:KDYFGRWQOYBRFD-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)O"], "synonym": ["E363", "Succinic acid", "Amber acid", "Dihydrofumaric acid", "Succinic acid", "Succinicum acidum", "FEMA NO. 4719", "NSC-106449", "Succinic acid"], "chembl_natural_product": true}
{"name": "Na(+)/dicarboxylate cotransporter 3", "xref": ["CHEMBL.TARGET:CHEMBL3712947"], "id": "UniProtKB:Q8WWT9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239243", "category": ["biolink:ChemicalEntity"], "name": "TAURINE", "xref": ["InChIKey:XOAAWQZATWQOTB-UHFFFAOYSA-N", "SMILES:NCCS(=O)(=O)O"], "synonym": ["Taurine", "Taurine", "Taurina", "Aminoethylsulfonic acid", "Ethanesulfonic acid, 2-amino-", "Taurate", "Taurine", "FEMA NO. 3813", "NSC-32428", "O-due"], "chembl_natural_product": true}
{"name": "Sodium- and chloride-dependent taurine transporter", "xref": ["CHEMBL.TARGET:CHEMBL5762"], "id": "UniProtKB:P31641", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1376064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLSITKDRVDKRV-JSUROZADSA-N", "SMILES:C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1.Cl"]}
{"name": "Adhesion G-protein coupled receptor F1", "xref": ["CHEMBL.TARGET:CHEMBL4523872"], "id": "UniProtKB:Q5T601", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHPNJVKFAPVOG-QYFJGNGUSA-N", "SMILES:Cl.NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1490875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOBOYMKCRRLTRF-UHFFFAOYSA-N", "SMILES:Br.Br.N=C(N)SCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16192", "category": ["biolink:ChemicalEntity"], "name": "CP-96345", "xref": ["InChIKey:FLNYLINBEZROPL-NSOVKSMOSA-N", "SMILES:COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9506", "category": ["biolink:ChemicalEntity"], "name": "DEVAZEPIDE", "xref": ["InChIKey:NFHRQQKPEBFUJK-HSZRJFAPSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21"], "synonym": ["Devazepide", "Devazepida", "L-364,718", "L-364718", "MK-329", "Devazepide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYZSSLLFRVDRHL-QPJJXVBHSA-N", "SMILES:COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1434496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHCNQFUWDFPCW-ZJIMSODOSA-N", "SMILES:C[C@@H](N)Cc1c[nH]cn1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57895", "category": ["biolink:ChemicalEntity"], "name": "EFAROXAN", "xref": ["InChIKey:RATZLMXRALDSJW-UHFFFAOYSA-N", "SMILES:CCC1(C2=NCCN2)Cc2ccccc2O1"], "synonym": ["Efaroxan", "Efaroxano", "NSC-759562"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL249973", "category": ["biolink:ChemicalEntity"], "name": "LINTITRIPT", "xref": ["InChIKey:ILNRQFBVVQUOLP-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21"], "synonym": ["Lintitript", "SR-27897"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3215877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVTRGAPFNJEOTQ-FFUVTKDNSA-N", "SMILES:COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOTJMGVDPWRKOC-MXSCXNJPSA-N", "SMILES:CCCCN(CCCC)C(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1256998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQGKAOSYSXEPU-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3c2OCCO3)CC1.Cl"], "synonym": ["SB-204070A"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL542139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMXZRJYGJMSDQK-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1.Cl"], "synonym": ["SB-271046A"]}
{"id": "CHEMBL.COMPOUND:CHEMBL531742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQLIYKXNAXKMBL-UHFFFAOYSA-N", "SMILES:CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPEMCIBPDYCJLO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239800", "category": ["biolink:ChemicalEntity"], "name": "FENOBAM ANHYDROUS", "xref": ["InChIKey:DWPQODZAOSWNHB-UHFFFAOYSA-N", "SMILES:CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1"], "synonym": ["Fenobam anhydrous", "Fenobam anhydrous", "NPL-2009", "NPL2009", "Fenobam anhydrous"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4202825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYHZMAZUWOXNC-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(OCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRNMVDTWIHULJ-AWEZNQCLSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPXYDUJQWENPM-XZOQPEGZSA-N", "SMILES:CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUCKSZWMRCSPME-UHFFFAOYSA-N", "SMILES:O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107783", "category": ["biolink:ChemicalEntity"], "name": "TAPRENEPAG", "xref": ["InChIKey:MFFBXYNKZHTCEY-UHFFFAOYSA-N", "SMILES:O=C(O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1"], "synonym": ["Taprenepag", "Taprenepag", "CP-544326", "CP544326", "PF04217329", "Taprenepag"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1766103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGVWEMSSIKHOZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1830707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBISXWCOHGUFSF-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOHCTCOGYKAJLZ-UHFFFAOYSA-N", "SMILES:Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUKHARIAMDAGF-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STAFRSGTRKNXHF-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(C#Cc2ccncc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQULIQJSYPZQMA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIZUBVPJNPVIIN-UHFFFAOYSA-N", "SMILES:N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKMVYPCBLWYNAV-UHFFFAOYSA-N", "SMILES:Cl.O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1474387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJAQCMBWGUOBIX-ZUQRMPMESA-M", "SMILES:Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C/C=C/c1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3338866", "category": ["biolink:ChemicalEntity"], "name": "MK-1064", "xref": ["InChIKey:CKTWQGHVNRYNCM-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC"], "synonym": ["Mk-1064", "MK 1064"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMLGZNVPWRUVNM-IBGZPJMESA-N", "SMILES:Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232656", "category": ["biolink:ChemicalEntity"], "name": "BX 471 FREE BASE", "xref": ["InChIKey:XQYASZNUFDVMFH-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O"], "synonym": ["BX-741"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLDQTQOMWDNTNN-UHFFFAOYSA-N", "SMILES:COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415606", "category": ["biolink:ChemicalEntity"], "name": "DEGARELIX", "xref": ["InChIKey:MEUCPCLKGZSHTA-XYAYPHGZSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O"], "synonym": ["Degarelix", "Degarelix", "Degarelix", "Degarelix", "FE200486 (FREE BASE)", "Degarelix"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL2113046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLLSODGWHDUMRG-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nc(NC3CC4CCC3C4)c3nc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIJGWJIOMPHDBP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLIUERFVJYBNY-UHFFFAOYSA-N", "SMILES:CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3OC)cc1C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105737", "category": ["biolink:ChemicalEntity"], "name": "SONIDEGIB", "xref": ["InChIKey:VZZJRYRQSPEMTK-CALCHBBNSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1"], "synonym": ["Sonidegib", "Sonidegib", "Sonidegib", "Sonidegib", "LDE 225", "LDE-225", "LDE225", "NVP-LDE 225", "NVP-LDE-225", "NVP-LDE225", "Erismodegib", "Sonidegib"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL484929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJMQJSUOOGOWBD-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1CCOc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIXNJVGTAXRKAP-UHFFFAOYSA-N", "SMILES:O=C1COc2nccc(-c3ccccc3F)c2CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10284", "category": ["biolink:ChemicalEntity"], "name": "SB-222200", "xref": ["InChIKey:MQNYRKWJSMQECI-QFIPXVFZSA-N", "SMILES:CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL174588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTAQTRFJWLFCR-XFHMXUHZSA-N", "SMILES:CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZPSIXKYJUTKI-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL506652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNIFXBIJCNXCT-CQSZACIVSA-N", "SMILES:CC(C)(O)CCn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL300004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVYXJKGJMUGRG-KJPZRSJGSA-N", "SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL276140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZOXHCRSXYSPM-UHFFFAOYSA-N", "SMILES:CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTMSQHTGZMEFU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1384502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFMYJWNXSFLKQ-QIROLCGISA-N", "SMILES:CC(/C=C1\\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLJNARIJSROOS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1606583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPEJNANYABTIGC-UHFFFAOYSA-N", "SMILES:Oc1c(CN2CCN(c3ccccn3)CC2)cc(Cl)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNJPNRDGXJQJX-UHFFFAOYSA-N", "SMILES:Br.Br.c1ncc(CC2CCNCC2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHHFOSVBQQNAW-GDYXXZBVSA-N", "SMILES:COc1ccc2cc(S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(CN4[C@H](C)CCC[C@@H]4C)cc3)C(=O)N(C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLJOKYGJNOQXDP-UHKCRUDESA-N", "SMILES:O=C(O)c1cccc(/C=C2/C[C@@H]3[C@@H](/C=C/[C@H](O)C4CCCCC4)[C@H](O)C[C@@H]3O2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5079373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAOHMLBVCLITHA-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1354658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWUSZIVDPJPVBW-UHFFFAOYSA-N", "SMILES:N#Cc1c(Oc2cccc(OS(=O)(=O)CCCC(F)(F)F)c2)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYYRMJMXXLJZAB-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1970071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDKGACIWVAOUQH-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1481114", "category": ["biolink:ChemicalEntity"], "name": "SPHINGOSYLPHOSPHORYLCHLOLINE", "xref": ["InChIKey:JLVSPVFPBBFMBE-HXSWCURESA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)([O-])OCC[N+](C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBJWRMNGCDKNL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CCC2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTEVTHHGQMUPHC-UHFFFAOYSA-N", "SMILES:COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAFVDFYVWBASDD-UHFFFAOYSA-N", "SMILES:NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGNSSHMCNBHQX-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN2CCC(c3ccccn3)CC2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPBMDMNORXKGHZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCCN(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL535371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMKBIHLMPTYTI-UHFFFAOYSA-N", "SMILES:CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMYJSOCTHBLSFF-QCILGFJPSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL300555", "category": ["biolink:ChemicalEntity"], "name": "SPIROXATRINE", "xref": ["InChIKey:JVGBTTIJPBFLTE-UHFFFAOYSA-N", "SMILES:O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccccc3O1)CC2"], "synonym": ["Spiroxatrine", "Espiroxatrina", "NSC-665322", "R 5188", "R-5188"]}
{"id": "CHEMBL.COMPOUND:CHEMBL281350", "category": ["biolink:ChemicalEntity"], "name": "SB-224289", "xref": ["InChIKey:ATQMRMGXINTJHV-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL543113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOORVSGDAHWVMC-UHFFFAOYSA-N", "SMILES:CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79834", "category": ["biolink:ChemicalEntity"], "name": "SPIRAMIDE", "xref": ["InChIKey:FJUKDAZEABGEIH-UHFFFAOYSA-N", "SMILES:O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2"], "synonym": ["Spiramide", "Espiramida", "R 5808", "R-5808"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4743049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMUNRTCTDLORDR-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(COc2cncc(N3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JENSDTKXNVHSSN-UHFFFAOYSA-N", "SMILES:COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1836317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSBTSAJZMIHBL-HDJSIYSDSA-N", "SMILES:CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589390", "category": ["biolink:ChemicalEntity"], "name": "LATREPIRDINE", "xref": ["InChIKey:JNODQFNWMXFMEV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1"], "synonym": ["Latrepirdine", "Latrepirdina", "Dimebolin", "Dimebon", "Latrepirdine", "Pf-01913539", "Latrepirdine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4803066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSMCMULWWHMIV-UHFFFAOYSA-N", "SMILES:O=c1c2cccn2c2ccccc2n1CCCN1CCC(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDXUTWMFMAQJO-PMERELPUSA-N", "SMILES:C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccccn2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225963", "category": ["biolink:ChemicalEntity"], "name": "PYRIDABEN", "xref": ["InChIKey:DWFZBUWUXWZWKD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INNWVRBZMBCEJI-UHFFFAOYSA-N", "SMILES:Br.Oc1cc2c(cc1O)C(c1ccccc1)CNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257131", "category": ["biolink:ChemicalEntity"], "name": "RAUWOLSCINE HYDROCHLORIDE", "xref": ["InChIKey:PIPZGJSEDRMUAW-ZKKXXTDSSA-N", "SMILES:COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@@H]1O.Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5076314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABIBJNNJHQWDGO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1.Cl.Cl.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXZMSRRJOYLLO-RVOWOUOISA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5079621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHLKAMFNZKKRFJ-PKLMIRHRSA-N", "SMILES:CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(C#N)cc3c2C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1879970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBVMYJQWZOGGJ-XYRJXBATSA-N", "SMILES:O=C(O)CCC/C=C\\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5084234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGKCWWWKHCVDH-UHFFFAOYSA-N", "SMILES:CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTEVMLYDEWVIQE-SPIKMXEPSA-N", "SMILES:CN1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHYWNBUFNGHNCP-UHFFFAOYSA-N", "SMILES:Br.Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYCAEWMSOPMASE-XFULWGLBSA-N", "SMILES:CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL537419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPHVMNOEKKJYJO-MJWSIIAUSA-N", "SMILES:CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O.Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL544428", "category": ["biolink:ChemicalEntity"], "name": "MIANSERIN HYDROCHLORIDE", "xref": ["InChIKey:YNPFMWCWRVTGKJ-UHFFFAOYSA-N", "SMILES:CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl"], "synonym": ["Mianserin hydrochloride", "Mianserin hydrochloride", "Mianserin hcl", "Tetramide", "NSC-759590", "ORG GB 94", "ORG-GB 94", "Bolvidon", "Norval", "Mianserin hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2303628", "category": ["biolink:ChemicalEntity"], "name": "MESULERGINE HYDROCHLORIDE", "xref": ["InChIKey:HANSYUJEPWNHIM-IVMONYBCSA-N", "SMILES:CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1600943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZFUVPBLKQGSRI-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1489369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQJYYGODYRPBR-UHFFFAOYSA-N", "SMILES:Br.CN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1374751", "category": ["biolink:ChemicalEntity"], "name": "CIMATEROL", "xref": ["InChIKey:BUXRLJCGHZZYNE-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1ccc(N)c(C#N)c1"], "synonym": ["Cimaterol", "AB-A 66", "AB-A 663", "AB-A-66", "ABA-663", "AC 263,780", "AC-263780", "Cimaterol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL475903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDLBNCJWNENFF-UHFFFAOYSA-N", "SMILES:CCCCN(CC)c1nc(C)nc2c1c(C)cn2-c1c(C)cc(C)cc1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL59898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDDUJINYXKGZLV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQVFCYCTITZLSX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNIPBGJWMANRGA-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOSJNRBXNQTUNT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105510", "category": ["biolink:ChemicalEntity"], "name": "ZINTEROL HYDROCHLORIDE", "xref": ["InChIKey:LVNUBJDWJFOMKH-UHFFFAOYSA-N", "SMILES:CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1.Cl"], "synonym": ["Zinterol hcl", "Zinterol hydrochloride", "MJ 9184-1", "MJ-9184-1", "NSC-284704", "Zinterol hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTRUQJBVQBUKSQ-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2182029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXQUHYSYFWQRMF-LJQANCHMSA-N", "SMILES:Cc1nnn(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3086703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYHUARFFBDLROH-MOPGFXCFSA-N", "SMILES:Cc1cc([C@@H](C)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](C)C(=O)O)c(C)c3)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11268", "category": ["biolink:ChemicalEntity"], "name": "ICI-89406", "xref": ["InChIKey:HTLWRKRZKFAAAH-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1OCC(O)CNCCNC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYBYHCOEAFHGJL-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQTWEWAPUCDDZ-QGZVFWFLSA-N", "SMILES:Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951032", "category": ["biolink:ChemicalEntity"], "name": "ADP-597", "xref": ["InChIKey:WPDCHTSXOPUOII-UHFFFAOYSA-N", "SMILES:COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1"], "synonym": ["Adp-597", "Jnj-38431055", "JNJ-38431055"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL470965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVZBXHTUOPQJS-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBHFWFKSIYJEK-MFJOXFORSA-N", "SMILES:CC1(C)[C@H]2C[C@H](C/C=C\\CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(O)cc34)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRYZHRNVKQVGQ-BDQAORGHSA-N", "SMILES:COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1c(-c2ccccc2)[nH]c2c(F)cc(F)cc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXPQWNPLNIEJOW-UHFFFAOYSA-N", "SMILES:CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXMBGWSOLBOQM-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2.Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5087653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIIOXKQIZCVXMD-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2[nH]cc(C3=CCNCC3)c2n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGSTPYGKYGQLD-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1329567", "category": ["biolink:ChemicalEntity"], "name": "XAMOTEROL FUMARATE", "xref": ["InChIKey:QEDVGROSOZBGOZ-WXXKFALUSA-N", "SMILES:O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(O)/C=C/C(=O)O"], "synonym": ["Xamoterol fumarate", "Xamoterol hemifumarate", "Ici-118,587 hemifumarate", "Ici-118587 hemifumarate", "Xamoterol fumarate", "Xamoterol hemifumarate", "ICI 118,587", "Corwin", "Xamoterol fumarate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGZNBYDSDEOED-FAVHNTAZSA-N", "SMILES:COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL130896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLQFKFSAJNUOPT-UHFFFAOYSA-N", "SMILES:CCCCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNOQAMOMUBPHK-FFZCCNEYSA-N", "SMILES:Cl.Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGGAAHTUXEGFG-UHFFFAOYSA-N", "SMILES:CCc1cc2c(c(CC)n1)CCC(=O)N2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOCIMZNSNPOGOP-IWCJZZDYSA-N", "SMILES:CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOJRMYBBPKNLLI-ORHWHDKWSA-N", "SMILES:CN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1.O=C(O)/C=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDYDDJVCIHZKH-UHFFFAOYSA-N", "SMILES:Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWJGUZIZAPFMX-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2110370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BANYJBHWTOJQDU-GDLZYMKVSA-N", "SMILES:COC1(C[S@@+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8981", "category": ["biolink:ChemicalEntity"], "name": "PD-156707", "xref": ["InChIKey:PWIPORDFWDZCJG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1593850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUSHKIWPLHBCN-RFVHGSKJSA-N", "SMILES:CC[C@@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)[nH]c3C2=N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJKJVWJQAVGLHJ-YPMHNXCESA-N", "SMILES:Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPTKULJUDJWTSA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(C3CCCCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707331", "category": ["biolink:ChemicalEntity"], "name": "ROLAPITANT", "xref": ["InChIKey:FIVSJYGQAIEMOC-ZGNKEGEESA-N", "SMILES:C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"], "synonym": ["Rolapitant", "Rolapitant", "Rolapitant", "Rolapitant", "Rolapitant", "Varuby", "Rolapitant"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL403252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEJMSUHUZNTCD-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL245621", "category": ["biolink:ChemicalEntity"], "name": "HALOPEMIDE", "xref": ["InChIKey:NBHPRWLFLUBAIE-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1"], "synonym": ["Halopemide", "Halopemida", "NSC-354856", "R 34,301", "R-34301", "Halopemide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTUORKUWBDRBX-SSDOTTSWSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc2[nH]c(=O)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHZYKZFEBRXAL-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1533310", "category": ["biolink:ChemicalEntity"], "name": "HISTAMINE DIHYDROCHLORIDE", "xref": ["InChIKey:PPZMYIBUHIPZOS-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCc1c[nH]cn1"], "synonym": ["Histamine dihydrochloride", "Histamine dihydrocloride", "Histamine dihydrochloride", "Histamine dihydrochloride", "Histamine dihydrochloride", "Histamine hydrochloride", "Histaminum hydrochloricum", "Peremin", "NSC-257873", "Allergen scratch extract positive control 'torii' histamine dihydrochloride", "Ceplene", "Histamine dihydrochloride", "Histamine dihydrochloride"], "chembl_black_box_warning": "True"}
{"id": "CHEMBL.COMPOUND:CHEMBL5077459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJGIWFJVDOPJF-LLWADOMFSA-K", "SMILES:O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3246389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNOTBLPQOITGU-LDDQNKHRSA-N", "SMILES:CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5089526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCFXOTRONMKUJB-KYSPHBLOSA-N", "SMILES:CCCN1CCO[C@H]2c3cc(O)ccc3OC[C@@H]21.Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5088752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLUUMAKBFSDIE-KRWDZBQOSA-N", "SMILES:NC(=O)c1ccc(CNC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUVILUYVBUMMRG-JZHXPYGKSA-N", "SMILES:CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL78494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHEDRJPUIRMZMP-ZWKOTPCHSA-N", "SMILES:CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1371156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNFADCGOAHBPG-UHFFFAOYSA-N", "SMILES:CN1CCC(c2c[nH]c3ccc(O)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1368005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBHUXHFZLMFETJ-MDZDMXLPSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3143955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMNWXHSYPXQFSK-KLXURFKVSA-N", "SMILES:CCCN[C@H]1CCc2nc(N)sc2C1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOROBKPIULFQDC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDOQBQRIEWHWBT-VKHMYHEASA-N", "SMILES:N[C@@H](CCP(=O)(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCIOJDKGCWAHLR-UHFFFAOYSA-N", "SMILES:Cc1nc(C#Cc2cccnc2)cs1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQGRMONBDBMLSP-FERBBOLQSA-N", "SMILES:Cc1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL125569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSRSEEYZGWTODH-UHFFFAOYSA-N", "SMILES:O=C(O)COc1cccc(-c2ocnc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMCVDNIIFNDJK-BEQMOXJMSA-N", "SMILES:Fc1cccc(/C=N/N=C/c2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL518199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVRGDRCCNEGBS-KCWXNJEJSA-N", "SMILES:C[C@H](N)COC(=O)[C@@H](CCCCN)NC(=O)Cc1c(-c2ccc3ccccc3c2)[nH]c2c1ccc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJVPELCYCESAP-UHFFFAOYSA-N", "SMILES:O=C(O)CC1CCC2(CC1)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZQZSWAOVAMBQM-BTJKTKAUSA-N", "SMILES:NCCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCJOYZLWFNDIO-PKLMIRHRSA-N", "SMILES:CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1436386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWKZWXJQIDXGLX-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC2CCCCC2)sc2nc3ccc(N)cc3n12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL855", "category": ["biolink:ChemicalEntity"], "name": "TRIPROLIDINE", "xref": ["InChIKey:CBEQULMOCCWAQT-WOJGMQOQSA-N", "SMILES:Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1"], "synonym": ["Triprolidine", "Triprolidine", "Triprolidina", "Actahist", "Allerfed", "Corphed", "Histafed", "Myfed", "Trilitron", "Triphed"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL24781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDERJSQJYIJOPD-UHFFFAOYSA-N", "SMILES:COc1cc(OC2CCN(C(C)=O)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL352396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIOKMIQQPDDTNO-UPRLRBBYSA-N", "SMILES:CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL21283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSEJCLDJIFTPPH-FMIVXFBMSA-N", "SMILES:CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(CCC4CCCC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCKPHBALHXMIR-ZROIWOOFSA-N", "SMILES:O=C1N/C(=N/c2ccccc2F)S/C1=C\\c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2220404", "category": ["biolink:ChemicalEntity"], "name": "CLOPROSTENOL", "xref": ["InChIKey:VJGGHXVGBSZVMZ-YVKATYTESA-N", "SMILES:O=C(O)CCC/C=C\\CC1C(O)CC(O)C1/C=C/C(O)COc1cccc(Cl)c1"], "synonym": ["Cloprostenol", "Cloprostenol", "Racemic cloprostenol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1672558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXGVDIXINMAAL-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIUFQWFJHXXXEQ-SWJTYIIKSA-N", "SMILES:Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CC[C@H](C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1.Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1257107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIDQIOZJEJFMOH-VYRBHSGPSA-N", "SMILES:O=C(O)CCCCCC[C@H]1C(=O)NC(=O)N1CCC(O)C1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL218115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJWLRHFBRZPOP-GFCCVEGCSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGXSRDRXCPKCLB-UHFFFAOYSA-N", "SMILES:O=c1c(Nc2ccccc2)c(Nc2ccc([N+](=O)[O-])cc2O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXVFVRPSNXVEC-UHFFFAOYSA-N", "SMILES:CCC(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILEJORXRDPNPIM-OAHLLOKOSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNHMLBROHADFQ-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccccc2-c2ccc(CNc3cc(C(F)(F)F)cc4c3CCCC4)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNNVPYNADHXGLX-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(Oc2ccccc2-c2ccc(CNc3nc(C(F)(F)F)nc4c3CCCC4)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVZIZUQUFCCJT-UHFFFAOYSA-N", "SMILES:O=c1c(NCCCCc2c3c(nc4cc(Cl)ccc24)CCCC3)c(NCCCCc2c3c(nc4ccc(Cl)cc24)CCCC3)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPSZYCQSRLWDS-UHFFFAOYSA-N", "SMILES:O=c1c(NCCCCCCCc2c3c(nc4ccccc24)CCCC3)c(NCCCCCCCc2c3c(nc4ccccc24)CCCC3)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWOPOYQMVVOTAG-QEJZJMRPSA-N", "SMILES:CC[C@H](C)[C@H](Nc1c(N(C)O)c(=S)c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZDKQNJDUPHIX-NRFANRHFSA-N", "SMILES:O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBBKZPDXHQHTJ-NRFANRHFSA-N", "SMILES:O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXLHCQSLKXNMU-UHFFFAOYSA-N", "SMILES:O=C1Cc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGWOJXZJIZUKDP-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHENTWJNXGESKT-RMKNXTFCSA-N", "SMILES:O=C(O)CCSC(SCCc1ccccc1)c1ccc(/C=C/c2ccnc3cc(Cl)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1902171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLFPXQJCSLPSB-DHZHZOJOSA-N", "SMILES:CCCCN(CCC(=O)O)c1ccc(/C=C/c2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZUCZYXRADUTMW-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZKZRLOVLUQOM-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(C)nc(Nc3ccc(-c4cc5ccccc5o4)cc3)n2)cc1"]}
{"name": "Cysteine protease ATG4A", "xref": ["CHEMBL.TARGET:CHEMBL5169181"], "id": "UniProtKB:Q8WYN0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHGYABXBVODEX-SFHVURJKSA-N", "SMILES:O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSZZQBEFWYMCV-UHFFFAOYSA-N", "SMILES:CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFLKCUMXGTXTHH-UHFFFAOYSA-N", "SMILES:CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIISDRRMIGVQCP-VMPITWQZSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(/C=C/C(=O)NO)cc3)c2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLIZHCYTSUGKKN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989941", "category": ["biolink:ChemicalEntity"], "name": "TINOSTAMUSTINE", "xref": ["InChIKey:GISXTRIGVCKQBX-UHFFFAOYSA-N", "SMILES:Cn1c(CCCCCCC(=O)NO)nc2cc(N(CCCl)CCCl)ccc21"], "synonym": ["Tinostamustine", "Tinostamustina", "Tinostamustine", "EDO-S 101", "EDO-S-101", "EDO-S101", "Tinostamustine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFWRZTGKNXDMJU-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)cc(-c3nc(Nc4ccc(CNC(=O)CC(=O)NO)cc4)ncc3F)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGEGMLHKJYPRKJ-JLHYYAGUSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3ccc(S(=O)(=O)n4ccc(/C=C/C(=O)Nc5ccccc5N)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSCWZVQRNHENL-RMKNXTFCSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3ccc(S(=O)(=O)n4ccc(/C=C/C(=O)NO)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPKCBCKWWHGLN-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(Nc3ncc(C(=O)Nc4ccccc4N)s3)nc(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTPYAODLDLIYCI-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cc(Nc3ncc(C(=O)Nc4ccc(F)cc4N)s3)nc(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNBAIYKHCDJOC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cnn(-c3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQAHZUWVVKNTRB-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(C)n(-c3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRZUCVYASYLSC-ZTRHBWBISA-N", "SMILES:CC(C)=CCC/C(C)=C\\CC/C(C)=C\\CSc1ccccc1C(=O)NCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNDGKHMAJRAPP-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(C(=O)NCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDQWMHNXRESPD-FMIVXFBMSA-N", "SMILES:O=C(/C=C/c1ccc(C(=O)NCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLUORLDWZKKDW-FMIVXFBMSA-N", "SMILES:CC(CNC(=O)c1ccc(/C=C/C(=O)NO)cc1)Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNJFYNTZCXCAI-FMIVXFBMSA-N", "SMILES:CN(CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C(=O)c1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRCCUAFDUKKGDY-UHFFFAOYSA-N", "SMILES:NC1CC1c1ccc(NC(=O)CCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQGUXQIGZDLUNF-PFDVDDDNSA-N", "SMILES:O=C(CCCCCCN1CC(=O)N2[C@H](CC3c4ccccc4NC3[C@H]2c2ccc(Br)cc2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHKINQSOFFHDU-MONMSZEFSA-N", "SMILES:O=C(O)CCN1CC(=O)N2[C@H](CC3c4ccccc4NC3[C@H]2c2ccc(Br)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMZRUMFZQTTIO-KRWDZBQOSA-N", "SMILES:C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)OCc4cn(CCCCCC(=O)NO)nn4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSJZYZFLWCJCG-SFHVURJKSA-N", "SMILES:C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)OCc4cn(CCCCCCC(=O)NO)nn4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWOLWSSADGSIF-IBGZPJMESA-N", "SMILES:C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)OCc4cn(CCCCCCCC(=O)NO)nn4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADKMOAGUQVARR-KRWDZBQOSA-N", "SMILES:C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCc4cn(CCCCCC(=O)NO)nn4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJRXPAGXOISLS-SFHVURJKSA-N", "SMILES:C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCc4cn(CCCCCCC(=O)NO)nn4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWYUSYVASSTHM-IBGZPJMESA-N", "SMILES:C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCc4cn(CCCCCCCC(=O)NO)nn4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYVKBOWLRVISJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL598798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISCACOSJZYPVNU-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGORACVWOLFYBN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPFJSRYPUWNQK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3ccc(NC(=O)CCCCCC(=O)NO)cc3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJIIPGOCKAIKKA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUWRJISDNLQCCJ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CCCCCC(=O)NO)ccc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELXWYMBHYCUDZ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3759186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWIAUUKBJSRSZ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOZCESCGXZIPTR-UHFFFAOYSA-N", "SMILES:O=C(CCn1cc(CCn2nnc3c(Br)c(Br)c(Br)c(Br)c32)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177820", "category": ["biolink:ChemicalEntity"], "name": "TETRABROMOBENZOTRIAZOLE", "xref": ["InChIKey:OMZYUVOATZSGJY-UHFFFAOYSA-N", "SMILES:Brc1c(Br)c(Br)c2[nH]nnc2c1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4445170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMSNWDHVZIJTOX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccnc3)cc2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNQFCZPXRUXUGN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccccc3)cc2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMDUJXKQMEJCM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXGKFMASQBUNA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYHRQBMNCBKBPI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(N)c3)cc2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTCDOQAINTJHP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(O)c3)cc2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLYWGUNGJZIDQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCNMNNLFLYZRLD-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEWBFAXRQXNGRB-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVHEHWDLWSVKC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(C)n(-c3ccccc3)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAMJZLUOKJRHOW-DLTYQINTSA-N", "SMILES:C/C=C1\\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4458033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOINNCPOJWDQQN-VSPRGVPHSA-N", "SMILES:C=C[C@H]1COC(=O)C2=CN3CCc4c([nH]c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c45)[C@@H]3C[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5219581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYEUKQIFRCCXEF-OTJLNANMSA-N", "SMILES:C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPZJHXXYERTBSZ-VAIVRDDCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMFNTBFKQVZBP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2[nH]ccc2c1)N1CCN(C2c3ccccc3-c3ccc([N+](=O)[O-])cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNTUKRGXWYPMX-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(-c2c(-c3ccccc3)[nH]c3ncnc(OC)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAGLOCXKPUTYNO-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncn(C4CCCCC4)c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSIBLZHXMDZKV-UHFFFAOYSA-N", "SMILES:CCCCOc1ncnc2[nH]c(-c3ccc(N4CCN(C)CC4)cc3)c(-c3cccc(NC(=O)CC)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQUQTHWWMACGB-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(OC(C)C)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFHWHMKICJOJM-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(OCC(C)C)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZKZVQTCPJXHU-UHFFFAOYSA-N", "SMILES:OCCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4c3CC(c3ccccc3)N4)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIEIOLNIDXMMAS-UHFFFAOYSA-N", "SMILES:OCCCCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4c3CC(c3ccccc3)N4)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHKEGOROQPSFP-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4c3CC(c3ccccc3)N4)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL321494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFULDVUYUMOVAX-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYALDUINFMKUIR-OGLKEZPNSA-N", "SMILES:CC(=O)N[C@H]1CC[C@@H](N2C(=O)N(c3ccccc3Cl)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5204787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRUAZPRSKFJWHU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)ccc1N1CCC2(CC1)CN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKFJVSDDEAVOIU-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)CCN(c1ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)cc1Br)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQDYUGOWHVPFCS-UHFFFAOYSA-N", "SMILES:C=C(C)c1cnc(Nc2ccc(N3CCC4(CCN(C)CC4)CC3)c(C)c2)nc1Nc1ccccc1P(C)(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268501", "category": ["biolink:ChemicalEntity"], "name": "PROQUAZONE", "xref": ["InChIKey:JTIGKVIOEQASGT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1"], "synonym": ["Proquazone", "Proquazone", "Proquazone", "Procuazona", "43-715", "Proquazone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL322782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVHWDSCPKXMDB-CABCVRRESA-N", "SMILES:O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2ccccc2c1=O"], "chembl_natural_product": true}
{"name": "Proline--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL3301560"], "id": "UniProtKB:Q8I5R7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOADZUQFLAAZQY-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3cccc(NC(=S)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARRKLWESWJSEE-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Sc3cccc(NC(=S)Nc4ccc(Br)c(C(F)(F)F)c4)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUSKLLROUKCZTA-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(-n3ncc4cc(NC(=O)Nc5ccc(C)c(Cl)c5)ccc43)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKJVNGGVLHNLA-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(N)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2132175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSDAJWBUCMOAH-UHFFFAOYSA-N", "SMILES:CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4229214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFCOQLIKSZIHQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc3ncnc(-c4cccc(C(=O)NCCN5CCOCC5)c4)c3c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQOASLKQMBVEP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCOc1ccc2c(c1)N=C(NC(=O)c1ccccc1)N1CCN=C21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKLQWWOVTJLLRS-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CC2CC2)C1)c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLBMTARWBHCGH-FUMCDLPMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATUXKYHTVPFXPN-PCFFOIMISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTHVKFTDSSSQC-LSRYLGHRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGPHVUHYCXHPV-TYSPGDONSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAJVEKKZERRFDY-JPWWGKJHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENQLIYFDTYLJS-ZQXHBSFISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)C(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXNAENWNFWSRP-RZHZFINKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)C(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRSVBKTHZHKTO-PMCIFGPDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCBGQFSEYRTGZ-VXVPDZCVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHVUZGCGUCYAIA-HEDJEVLGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISGQIOVOEGXEEH-KXWCLILNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJGLFBQVWKKME-GITDKGITSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVBPBAIKDFDFJ-XULZPCLLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCATYNOVRHITF-MFTKENDISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGNNHAHUZWYOIE-JRQCUXSVSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWEJYARXEQDRHW-BHABUTBNSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWHPSCFRSGWHF-UYGACPDMSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTOCCTIFICQBIX-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)c(O)c2O)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMYREGABLAISLC-WKRFEXKNSA-N", "SMILES:C=CC(C)(C)n1cc(C(O)C2NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C(OC)c3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)C(CC(C)CO)N(C)C2=O)c2ccccc21"]}
{"name": "ATP-dependent Clp protease ATP-binding subunit ClpC1", "xref": ["CHEMBL.TARGET:CHEMBL4630874"], "id": "UniProtKB:P9WPC9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVTWNFHOQOTZCL-RVDKCFQWSA-N", "SMILES:N/C(CC(O)c1cc2c(F)cc(F)cc2c2cc(C(F)(F)F)ccc12)=N\\N=C\\c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYJWBQJBALMRO-UHFFFAOYSA-N", "SMILES:COc1ccc(/N=C(\\N)CC(O)c2cc3c(F)cc(F)cc3c3cc(C(F)(F)F)ccc23)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQYWLRVRAMKFHZ-WYBJURANSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1893324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEOYHMUESMJFDC-RIWXPGAOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXROOIDQCQSPGK-DLOSMSPMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](CCS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTNOBIYMFGIBSI-WFACNXBBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](N)CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC1=O"]}
{"name": "Pituitary adenylate cyclase-activating polypeptide type I receptor", "xref": ["CHEMBL.TARGET:CHEMBL1075233"], "id": "UniProtKB:P32215", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRMBDNTAIBTAK-NOZRDPDXSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccccc3[nH]c2=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLXMVDANDBLJOJ-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccccc3n(C)c2=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INNDKWJOTJXKOA-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cn(C)c3ccccc3c2=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBMEUCDJUHMPJ-RSXGOPAZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3ncccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYLSUJIODQWTL-SXOMAYOGSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc3cnccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFKMEUIGEGSJAQ-SXOMAYOGSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc3ccncc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTUNSRVRFCBTOR-VWNXMTODSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3nccnc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFQKZKLIQHUQX-NOZRDPDXSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3nnccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOHLCDCODSEIAJ-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cnc3ncccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYIQZXDBBYZNJ-HNMULJTMSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(C2=CC3SC=NC3C=C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTHXWHSGFRYLP-HNMULJTMSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(C2=CC3OC=NC3C=C2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBGMIOHBWZCMF-NOZRDPDXSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3nn(C)cc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LACAGKCCSRQIKI-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3c(ccc(=O)n3C)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOGLRFYVWLNDOX-IAPPQJPRSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(-c3ccccc3)[nH]c2=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTPAUKFZOVQYCD-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(-c3ccncc3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNWDPJEUUPJGI-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(-c3cccnc3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDCDBKDXBVPBNH-FTJBHMTQSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(-c3cnccn3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQVHRQCACSBEJB-VPUSJEBWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3nc(C)ccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGFKZMMMPLPMK-IAPPQJPRSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3nc(CC)ccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGZXYPCLDJVRER-UHSQPCAPSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3nc(C4CC4)ccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCUPJYYWCXUPO-RSXGOPAZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3nc(OC)ccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGNCVTVTQPXKS-PXJZQJOASA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3nc(N4CCCC4)ccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEPGTCNZKXMKRK-VPUSJEBWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3nc(-c4ncco4)ccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGSKPPYSKWOZRH-IAPPQJPRSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3nc(-n4cccn4)ccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHCXFHRGGHVRF-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3cccnc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMXJCYXICJPMG-FTJBHMTQSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBRYNDYUWCVFAV-SXOMAYOGSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBVTFQFJUWMIM-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C(C)C)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHMDEXRAFGLXEO-WDYNHAJCSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACGPGCXRCOZSX-WDYNHAJCSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C1CCC1)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYLOOUDRYDZKH-IHLOFXLRSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccc(CC)nc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSUDVIZAAHXQY-VEEOACQBSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccc(C4CC4)nc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDOFKVGBAKJRK-IAPPQJPRSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(C4CC4)nc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSGBWOQABTCDV-FTJBHMTQSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccc(=O)n(C)c3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVBJLNXVNGDXNM-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3cn(C)nc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGXAKPJTXGCJJ-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3nccnc3cc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRZDKMXNGUVAV-RPWUZVMVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccncc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZQYGJNTXEGBA-RSXGOPAZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(C)nc3cc2F)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVMOQFPXPZERR-RSXGOPAZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(C)nc3cc2Cl)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBSKBXWGBOXKGI-SXOMAYOGSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(C)nc3cc2C)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCMRPRNHRPNAJ-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(C)nc3cc2CC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRFLMIZPTHEEJS-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccncc3nc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWGQRJJRHORGQ-FTJBHMTQSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXPADAPJDQKKIW-SXOMAYOGSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWIASJNPIIGSRX-FTJBHMTQSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccc(=O)n(C)c3cc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPRMKKWNBGDRLB-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3cccnc3nc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDRPXYPNVACGD-RSXGOPAZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(C)nc3cc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYEBEZDMANQCNO-NAKRPHOHSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(C4CC4)nc3cc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTKWEPZZDJSNBS-RPBOFIJWSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3cn(C)nc3cc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWOOKFVJLJSCB-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(-c3cccnc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQPHGJHVSVYQGD-IZLXSDGUSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccn(CC)c(=O)c3cc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXBTNAVRSUOJR-VKHMYHEASA-N", "SMILES:O=C(O)CC[C@H](O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5219711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBJRQVRBCTOEL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(CN(C(=O)CCC(=O)OC(C)(C)C)C(C(=O)NC3CCCCC3)c3c[nH]c4cc(Cl)ccc34)nn2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRGLRBZBDCIZIV-UHFFFAOYSA-N", "SMILES:Cc1ccn2cc(Cn3cc(CN(C(=O)CCC(=O)OC(C)(C)C)C(C(=O)NC4CC5CCC4(C)C5(C)C)c4c[nH]c5cc(Cl)ccc45)nn3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJKFRDTRPWLGR-UHFFFAOYSA-N", "SMILES:COC(=O)C1CC2CSCN2C12C(=O)Nc1ccc(NCc3ccc([N+](=O)[O-])cc3OCC(=O)O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWAQGPGZEYEENU-JXMROGBWSA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2ccc3c(c2)C2(C(=O)N3)C(C(=O)OC(C)(C)C)CC3CSCN32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIIWYCXHBSDMMY-UHFFFAOYSA-N", "SMILES:CC1(C)CN(c2cc(Br)cc3[nH]ncc23)CCN1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORDVWJEXMDSBI-UHFFFAOYSA-N", "SMILES:Nc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKYPFSLPHIKQR-UHFFFAOYSA-N", "SMILES:Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUZWSUYGNARKL-UHFFFAOYSA-N", "SMILES:OCC(Nc1cc(Br)cc2[nH]ncc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKPLJWJNVKPLDG-UHFFFAOYSA-N", "SMILES:OCC(Nc1cc(Br)cc2[nH]ncc12)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGBFPRIYUPWCKM-UHFFFAOYSA-N", "SMILES:OC(CNc1cc(Br)cc2[nH]ncc12)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORANDKHYYUPEEG-UHFFFAOYSA-N", "SMILES:O=C(CNc1cc(Br)cc2[nH]ncc12)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZTUSXXWMZUJJX-HMMYKYKNSA-N", "SMILES:O/N=C(\\CNc1cc(Br)cc2[nH]ncc12)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPZPKBHPTXVAJ-VIFPVBQESA-N", "SMILES:Brc1cc(NC[C@@H]2CCCN2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPZPKBHPTXVAJ-SECBINFHSA-N", "SMILES:Brc1cc(NC[C@H]2CCCN2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHLUHMLJZLAIB-JTQLQIEISA-N", "SMILES:Brc1cc(NC[C@@H]2CCCCN2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHLUHMLJZLAIB-SNVBAGLBSA-N", "SMILES:Brc1cc(NC[C@H]2CCCCN2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPMRKDIWQPKPT-UHFFFAOYSA-N", "SMILES:Brc1cc(NCC2CCNC2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFRULOVZPCUCK-UHFFFAOYSA-N", "SMILES:Brc1cc(NCC2CNC2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRBSRRQNUNQLV-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CNc2cc(Br)cc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVMNSSKTMQGGP-UHFFFAOYSA-N", "SMILES:Brc1cc(NCc2ccccn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDAPACPQKVSCZ-UHFFFAOYSA-N", "SMILES:Brc1cc(NCC2CCCCC2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFXBQBTAXCSNF-ODLFYWEKSA-N", "SMILES:ON=C1CCC(CNc2cc(Br)cc3[nH]ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSUKSFOQICUON-UHFFFAOYSA-N", "SMILES:OC1CCCCC1CNc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIINRBQHXBFRDZ-UHFFFAOYSA-N", "SMILES:Brc1cc(NCC2CCCCC23OCCO3)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSUKSFOQICUON-OTYXRUKQSA-N", "SMILES:O[C@H]1CCCC[C@@H]1CNc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSUKSFOQICUON-LKFCYVNXSA-N", "SMILES:O[C@@H]1CCCC[C@H]1CNc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNDSOBGKQUCOV-JSGCOSHPSA-N", "SMILES:O[C@H]1CCCC[C@@H]1NCc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAWCNPDMPWJZBR-ZUZCIYMTSA-N", "SMILES:Cn1ncc2c(NC[C@@H]3CCCC[C@H]3O)cc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XREKIXFPJSQSGK-TVQRCGJNSA-N", "SMILES:O[C@@H]1CCCC[C@H]1CNc1cc(Br)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXIASOIWJYIDEM-TVQRCGJNSA-N", "SMILES:O[C@@H]1CCCC[C@H]1CNc1cc(Cl)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPCUWKUGYMQVDC-LKFCYVNXSA-N", "SMILES:O[C@@H]1CCCC[C@H]1CNc1cc(Cl)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMFOZCPHIDQGH-XHDPSFHLSA-N", "SMILES:Cc1cc(NC[C@@H]2CCCC[C@H]2O)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWHVQKPDRWTKRG-LKFCYVNXSA-N", "SMILES:O[C@@H]1CCCC[C@H]1CNc1cc(C(F)(F)F)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHKSADQSWQONG-LKFCYVNXSA-N", "SMILES:O=C(O)c1cc(NC[C@@H]2CCCC[C@H]2O)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMKMSCULIEFQV-TVQRCGJNSA-N", "SMILES:O[C@@H]1CCCC[C@H]1CNc1c(Br)ccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTABHBWYBVGRRE-MEDUHNTESA-N", "SMILES:CC(=O)O[C@@H]1CCCC[C@H]1CNc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYNAJSMGGMTQB-JOYOIKCWSA-N", "SMILES:N[C@@H]1CCCC[C@H]1CNc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYNAJSMGGMTQB-CABZTGNLSA-N", "SMILES:N[C@H]1CCCC[C@H]1CNc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJSKYLBFPXWFR-CABZTGNLSA-N", "SMILES:Cl[C@H]1CCCC[C@H]1CNc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJSKYLBFPXWFR-BXKDBHETSA-N", "SMILES:Cl[C@@H]1CCCC[C@@H]1CNc1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYIRMGVNGVFBZ-DGCLKSJQSA-N", "SMILES:O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDSDQOCTARQQB-ZUZCIYMTSA-N", "SMILES:COC(=O)c1cc(NC[C@@H]2CCCC[C@H]2O)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PREQDDPQCXZODC-TZHKBYJCSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)CN)CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccc(O)cc1)CSSC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHWWOAJOMPQXED-WDZBCESNSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC2CCCC(C2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZBVOKMICIXNE-YERQUWECSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC2CCCC(C2)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHWWOAJOMPQXED-MUXVVJRASA-N", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O)C1CC2CCCC(C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZBVOKMICIXNE-KPSROEQBSA-M", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-])C1CC2CCCC(C2)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVDTWUKZMEFKE-WDZBCESNSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC2C=CCC(C2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHUZLHDAXYGKCN-YERQUWECSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC2C=CCC(C2)C1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVDTWUKZMEFKE-MUXVVJRASA-N", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O)C1CC2C=CCC(C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHUZLHDAXYGKCN-KPSROEQBSA-M", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-])C1CC2C=CCC(C2)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPHGJUFZINUIBX-JOKKSQGBSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC2C=CC1C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEIHJXBWUDMYFX-HEGFQCLOSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC2C=CC1C2)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUXXLPVLPGMTJN-JOKKSQGBSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC2CCC1C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLESRSMBURPDIG-HEGFQCLOSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC2CCC1C2)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZISQWRNJACRJT-PZGQWMCSSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVUSLPJJBDAMSM-HIOFGSKASA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJUYBJCYVOVBW-FDHIEQCDSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2CCC(C1)N2C(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUGMTSGNWGIKNT-VPKFJELRSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC1CC2CCC(C1)N2C(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYCGANVIMDDJSZ-FSHLPJKKSA-N", "SMILES:CCCCCC12CCC(COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@H]3CCNC3=O)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PELWOETUIVCMHV-CNIOYOIQSA-M", "SMILES:CCCCCC12CCC(COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@H]3CCNC3=O)C(O)S(=O)(=O)[O-])(CC1)CC2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYCGANVIMDDJSZ-GJCYUWIDSA-N", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O)C12CCC(CCCCC)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PELWOETUIVCMHV-WJJXOSELSA-M", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-])C12CCC(CCCCC)(CC1)CC2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZAUVQWXLSHGJJ-KWMCZYFOSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPRMIJZKBTNNB-WSGXCPHPSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZAUVQWXLSHGJJ-ZVWKKYBFSA-N", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPRMIJZKBTNNB-SSEYHZIESA-M", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBRZKVAPDVWTRT-WOAYWDQESA-N", "SMILES:CC(C)C[C@H](NC(=O)OCCC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTOBNGNAWDQBAE-DQEADLMCSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCCC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCMUAXJAEVVGND-WUYKWXONSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC12CC3CC(CC(O)(C3)C1)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFCTAAAUSBQAO-TUAWEVJTSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC12CC3CC(CC(O)(C3)C1)C2)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCMUAXJAEVVGND-OOLRCENFSA-N", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O)C12CC3CC(CC(O)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFCTAAAUSBQAO-RSCJKICTSA-M", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(O)S(=O)(=O)[O-])C12CC3CC(CC(O)(C3)C1)C2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXKDMSYBGKCJA-UHFFFAOYSA-N", "SMILES:O=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5218527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWKROQUZSKPIKQ-UHFFFAOYSA-N", "SMILES:CC1CCN(CCC2CCCN2S(=O)(=O)c2cccc(O)c2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5219333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHEDHTCLJLQVJN-UHFFFAOYSA-N", "SMILES:CCOCC(Oc1c(C)cccc1Cl)N1CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYELOBZSRUSVNA-UHFFFAOYSA-N", "SMILES:CCOCC(Oc1c(C)cccc1C)N1CCN(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4117763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFZBXXDIKHYMDA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CN1CCNCC1)cn2S(=O)(=O)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYBOXBBYCVOYNO-UHFFFAOYSA-N", "SMILES:NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1580288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBNXNPYMCYTKF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCc3ccccc3C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAHMIXAUEZAMRF-UHFFFAOYSA-N", "SMILES:NC(=O)NCC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPCQBUXNBWFEBY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQRGWSIIAUBAE-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cnc2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFSFIDVAEMDPIP-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWICNPYQMEMSM-QGZVFWFLSA-N", "SMILES:O=C(N[C@@H]1CCNC1)c1ccn(S(=O)(=O)c2cccc(Cl)c2)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDWDLANQBRGPIP-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)c2ccc(OC)c(N3CCNCC3)c2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSLXKMCHXRCBIH-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(C(C)Nc2cc(N3CCNCC3)ccc2S(C)(=O)=O)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4520796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBMVDBKXTONKNR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)c(OCc2nc(N)nc(N3CCN(C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL195454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSIVRPBUNKODPD-ZEQRLZLVSA-N", "SMILES:CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(N3CCNCC3)cc2)cc1)C(F)(F)F)C(=O)NCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJONKKMBWPLQS-WIRXVTQYSA-N", "SMILES:CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@H](C#N)Cc1ccc(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDAAQBTCZHEOT-KPKJPENVSA-N", "SMILES:CC(C)c1ccc(/C=C(\\C#N)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIVOJWVBJIOFM-CYBMUJFWSA-N", "SMILES:Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLGETSGYLPFRC-UHFFFAOYSA-N", "SMILES:CC(C)(OCc1cc(-c2ccccc2)n(Cc2ccccc2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1616099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UECKKYNEEBRMIL-UHFFFAOYSA-N", "SMILES:Oc1cccc(C(O)CNCc2ccc(-c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1399124", "category": ["biolink:ChemicalEntity"], "name": "SYROSINGOPINE", "xref": ["InChIKey:ZCDNRPPFBQDQHR-SSYATKPKSA-N", "SMILES:CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc1OC"], "synonym": ["Syrosingopine", "Sirosingopina", "Isotense", "Londomin", "Neoreserpan", "Siringina", "NSC-77030", "SU 3118", "SU-3118"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL789", "category": ["biolink:ChemicalEntity"], "name": "RATHYRONINE", "xref": ["InChIKey:AUYYCJSJGJYCDS-UHFFFAOYSA-N", "SMILES:NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O"], "synonym": ["Rathyronine", "Ratironina", "Dl-triiodothyronine", "Liothyronine, dl-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5219332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUYQRICOEPWGIG-VSRGENKSSA-N", "SMILES:CNC(=O)COc1ccc(C2=C(C#N)C3N=C4C=CC=CC4N3C(NC(=O)c3cccc(C[C@H](N)C(=O)O)c3)=C2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVVWYDTSJLTHC-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2ccc3ccc(Oc4c(Cl)cc(CC(N)C(=O)O)cc4Cl)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429844", "category": ["biolink:ChemicalEntity"], "name": "ORE-1001", "xref": ["InChIKey:NTCCRGGIJNDEAB-IRXDYDNUSA-N", "SMILES:CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O"], "synonym": ["Gl-1001", "Ore-1001", "Ore1001", "GL1001", "MLN-4760", "ORE-1001 FREE ACID", "ORE1001"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5220314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCCRGGIJNDEAB-SJORKVTESA-N", "SMILES:CC(C)C[C@@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5220968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCCRGGIJNDEAB-DJNXLDHESA-N", "SMILES:CC(C)CC(N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3219078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXLERYKAMCOQH-LJAQVGFWSA-N", "SMILES:CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGFVMUUUSDIEAE-YTTGMZPUSA-N", "SMILES:COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBGVWKFAVGGQCH-NDEPHWFRSA-N", "SMILES:CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJGBKSHYCKEJGU-LJAQVGFWSA-N", "SMILES:CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXMYQVUXZGHVKU-HKBQPEDESA-N", "SMILES:N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCINVZAICQINL-MHZLTWQESA-N", "SMILES:N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)C(=O)N2CCC(CCN)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLFDUDAILBTVGN-NDEPHWFRSA-N", "SMILES:COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMDDHZCTORRMW-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(-c2ccccc2-c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPTZSBTFPQERZ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(-c2cccc3ccccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMKUXMZMOBJES-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(Nc2ccc([N+](=O)[O-])cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUTPWJQNUXXRBG-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(Nc2ccc([N+](=O)[O-])cn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCSJQUCGCIEKPQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2ccc(O)c(C(=O)NCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUZYOYPFOLXCFW-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Nc2ccc(O)c(C(=O)NCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHYRUQPHDXKLHX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2ccc(O)c(C(=O)NCC(=O)O)n2)cc1"]}
{"name": "Lysine-specific demethylase 3A", "xref": ["CHEMBL.TARGET:CHEMBL1938209"], "id": "UniProtKB:Q9Y4C1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQMRNMMPSNPJM-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIYSGGPIPRQSEQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(-c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIURAOCBPHFCPT-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(-c2cccc3ncccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRHISVDVXQRMH-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2ccc(O)c(C(=O)NCC(=O)O)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMILIUDWNGSSH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(Nc2ccc(O)c(C(=O)NCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQZLQYFPJDTIB-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(Nc2ccc3ccccc3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGSQMTWUEXIOHV-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(Nc2ccc(C(=O)O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSCGWAUHTUMSL-UHFFFAOYSA-N", "SMILES:Cc1nonc1-c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRNUMBCXXUHLU-UHFFFAOYSA-N", "SMILES:Cc1nc(C#N)c(NCc2csnn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVIXOTSPJLNAEI-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2nnc(N)c-2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFAWWVGJVOGUDA-UHFFFAOYSA-N", "SMILES:Nc1noc2c1c(=O)[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZYXSDZGSTXXPQ-SSDOTTSWSA-N", "SMILES:Cc1cc(Cl)ccc1O[C@H](C)c1nnc(N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROKHJFVYDKKVDA-UHFFFAOYSA-N", "SMILES:Cc1cc(SCc2c(C)noc2C)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGKFLJMXCVTPS-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2nnc(N)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFIQRGSNAQJMGM-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1Nc1ncnc2nc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQCLRFJQRPRQNR-UHFFFAOYSA-N", "SMILES:CCCc1nnc(NC(=O)c2c(C)noc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGZIFAJYKAMAEK-QMMMGPOBSA-N", "SMILES:Cc1nnc2n1C[C@@H](NC(=O)Cn1cnnn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAWHZTKAUNIBKJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)CSc2nnc(N)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMUKRZNURPLEIQ-UHFFFAOYSA-N", "SMILES:CCc1nnc2scc(-c3ccccc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCTBUBMRXYVEHX-UHFFFAOYSA-N", "SMILES:Cc1noc(N)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHGHZWQFGFIAFZ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1CSc1nnc(C)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZTYPMALAUYTBK-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(Cn3nc(-c4ccccc4)c4c3CCN(C(=O)Nc3ccccc3)C4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBEMZDCANZHGAH-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-n3cc(COc4nc(-c5ccccn5)sc4C(N)=O)nn3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTEGFXAJWKBABH-ODHMYEOTSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C(N)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWSWIJXIMMFIW-FTDVAUEYSA-N", "SMILES:CO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC([C@H](C)C[C@H]2CC[C@H](O)CC2)C/C=C(\\C)[C@@H](O)CC(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIRKEUPFPRWKIB-CSQJBACXSA-N", "SMILES:CO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)C/C=C(\\C)[C@@H](O)CC(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNVOBLSAPTDQJ-WDUNXSFGSA-N", "SMILES:CO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](O)C2)C/C=C(\\C)[C@@H](O)CC(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHKOUPRMAKKTLW-XFTFGMQASA-N", "SMILES:CO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(O)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)CC(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWUXIHPPFQIAG-NYIDMDDSSA-N", "SMILES:C/C1=C\\C=C\\C=C\\[C@@H](C)C[C@@H](C)C(=O)C[C@H](O)/C(C)=C/CC([C@H](C)C[C@H]2CC[C@H](O)CC2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWOJHTAZPQKPPN-MCVDMIQGSA-N", "SMILES:CO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC([C@H](C)C[C@@H]2C[C@@H]3C[C@H]2C[C@H]3O)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKPMBQSKOOTJBA-LBPRGKRZSA-N", "SMILES:C[C@H]1COCCN1c1nc(Oc2ccc(C(=O)N(C)C)cc2)nc(-c2cnc(N)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLBNRWBFQNOFI-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCC(Oc2nc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFBHSQZURJEIJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(Oc2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLJMSCIVANOIEI-STQMWFEESA-N", "SMILES:C[C@H]1COC[C@H](C)N1c1nc(Oc2ccc(C(=O)N(C)C)cc2)nc(-c2cnc(N)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUGOLKWIVPFMMP-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2nc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)ccc1C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNMZRJREJBKKG-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(Oc2nc(-c3cnc4[nH]ccc4c3)nc(N3CCOCC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARVHYOTVXHELT-UHFFFAOYSA-N", "SMILES:O=C(NOCCOCCOCCOCCC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYORKXGAGCDMPK-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCNCC4)nc3c2)cnc1Cl)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGNNMSGRBVKSQP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDQDYXZWIQXDD-UHFFFAOYSA-N", "SMILES:NOCCOCCOCCOCCC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPBFDASESWSQG-GJZGRUSLSA-N", "SMILES:C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2nc(-c3cccc4[nH]ccc34)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVPZSCSVBGHBS-CQSZACIVSA-N", "SMILES:C[C@@H]1COCCN1c1nc(N2CCOCC2)nc2[nH]c(-c3cccc4[nH]ccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJYDROKRRUPFT-GJZGRUSLSA-N", "SMILES:C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2nc(-c3ccc4cc[nH]c4c3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEEZPCDISDDNHG-UHFFFAOYSA-N", "SMILES:c1cc(-c2nc3c(N4CCOCC4)nc(N4CCOCC4)nc3[nH]2)c2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3639662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPBFDASESWSQG-HUUCEWRRSA-N", "SMILES:C[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(-c3cccc4[nH]ccc34)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVPZSCSVBGHBS-AWEZNQCLSA-N", "SMILES:C[C@H]1COCCN1c1nc(N2CCOCC2)nc2[nH]c(-c3cccc4[nH]ccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFGUSRSMWFYKGK-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ncc(-c3ccc(-c4nc[nH]n4)cc3)nc2n1CCC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVFYKPHMSAZPQO-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCOCC4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNSAGOBCFMEKI-UHFFFAOYSA-N", "SMILES:O=C1CN(CCC2CCOCC2)c2nc(-c3ccc(-c4nc[nH]n4)cc3)cnc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWUPKVZQISLSSA-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCOCC2)CC(=O)N3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBGREKTPUTRNO-ROUUACIJSA-N", "SMILES:COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)cc(N4CCOC[C@@H]4C)nc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGBZONARTMXJQI-PMACEKPBSA-N", "SMILES:C[C@H]1COCCN1c1cc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNCCO)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEZDTBDCGABPZ-ROUUACIJSA-N", "SMILES:COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)cc3n2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPRISURGGBRAR-ROUUACIJSA-N", "SMILES:COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNQXWDGTUMWKBX-ROUUACIJSA-N", "SMILES:C[C@H]1COCCN1c1cc2nc(-c3cccc(CO)c3)ccc2c(N2CCOC[C@@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEKMMWTXUQTYFE-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(-c3nn(C4CCOCC4)c4ncnc(N)c34)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQEMGSHFLAOJBZ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cc3cc(O)cc(Cl)c3[nH]1)nn2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJSQHVHCVOQLN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(n2nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWMSSWRQJCJQFL-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUKIMGGLSGHDAN-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2cc3cc(O)cc(F)c3[nH]2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSAIWOVMAFXWGG-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBHABZEDHGIJO-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cc3cccc(O)c3[nH]1)nn2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATJKHELAJSCQES-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(n2nc(-c3cc4c(Cl)ccc(O)c4[nH]3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRISWOXHZGZPV-UHFFFAOYSA-N", "SMILES:CC(C)CC1(C)CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWNQXUHQXRBNH-UHFFFAOYSA-N", "SMILES:CC(C)CC1CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZESSOQLEODPGP-UHFFFAOYSA-N", "SMILES:CSCC1(C)CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPOCJCCKQHPAE-UHFFFAOYSA-N", "SMILES:CCC1(C)CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUVAOVBSTMBYPN-UHFFFAOYSA-N", "SMILES:CC1(Cn2nc(-c3ccc4oc(N)nc4c3F)c3c(N)nc(N)nc32)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGZCDZAZJVNMKO-UHFFFAOYSA-N", "SMILES:CCC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2F)c2c(N)nc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZLDVTRVPWMLFG-QMMMGPOBSA-N", "SMILES:CC(C)C[C@H](C)n1nc(-c2ccc3oc(N)nc3c2F)c2c(N)nc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKILEKRCLGRHL-UHFFFAOYSA-N", "SMILES:CCC(C)(C)Cn1nc(-c2ccc3oc(NC(C)=O)nc3c2)c2c(N)nc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRNMUDAJXGNOIO-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRCGXDFJTQYSNR-UHFFFAOYSA-N", "SMILES:CC1(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)nc(N)nc32)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVMZRJQIEUQWJM-VIFPVBQESA-N", "SMILES:CC(C)C[C@H](C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTOAJUIMCNAYNE-UHFFFAOYSA-N", "SMILES:CC1(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)nc(N)nc32)CSC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUOSCZDRWRYPRS-UHFFFAOYSA-N", "SMILES:CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4159086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJGOZBLFBZMVDS-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYXAWLTUOYKMO-UHFFFAOYSA-N", "SMILES:C#CCCCn1c(Sc2ccc(C)cc2C)nc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFDTRSWRWXFIR-IRJFHVNHSA-N", "SMILES:NC(=O)c1ccc(-n2cccc2Cc2ccccc2O)cc1N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXSUFVJBBTTBM-UHFFFAOYSA-N", "SMILES:CCc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4ccnn4C)c3)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUNYLBDGWAJCV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cc2ccc(OCCC3CCCCN3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTZGEZCMHJEGG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(Sc2ccc3c(c2)OCCO3)c1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLDZTFYFNIEBBP-UHFFFAOYSA-N", "SMILES:NC(CC(=O)O)Cc1c[nH]c2ccc(N(CCCl)CCCl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLFHYMRDJDLOPE-UHFFFAOYSA-N", "SMILES:NC(CC(=O)O)Cc1c[nH]c2cc(N(CCCl)CCCl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBDNBIWJDAZLGP-CQSZACIVSA-N", "SMILES:O[C@@H](c1cn2cncc2cc1Cl)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORIUNBWXEMGXPB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(NC(N)=O)cc2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDFKFXFZHYHCIS-UHFFFAOYSA-N", "SMILES:CC1=C(CC(=O)c2sccc2Br)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFVXXLQSIZKNK-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)CC(=O)c1ccc(C)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5218772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVZPEWQLGGOSDJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)CC(=O)c2ccccc2OC(C)C)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5218729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJOMQKGDGWAVKI-CMDGGOBGSA-N", "SMILES:O=C1C=CCCN1C(=O)/C=C/c1ccccc1-c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJROBOBZIHIEMB-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)c1cccc(N(CCCl)CCCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSLUBWGUSUBTG-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1CCC(N)=O)C(=O)C(=O)C(C(C)C)=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDFDQMZRBQYOBC-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1CCC(=O)NCCCCCC(=O)CNc1ccccc1N)C(=O)C(=O)C(C(C)C)=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJDKZSXXFWHPR-UHFFFAOYSA-N", "SMILES:CC(C)=CCCc1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5220468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIRUUKVNCDEGJ-RMKNXTFCSA-N", "SMILES:COc1ccc(OC)c(/C=C/C(=O)Nc2sc3c(c2C#N)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGBONGKMOAZGG-JXMROGBWSA-N", "SMILES:COc1ccc(OC)c(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFWBHBNMPAEQZ-RMKNXTFCSA-N", "SMILES:N#Cc1c(NC(=O)/C=C/c2ccc(O)cc2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVURLSKTNUMDI-UHFFFAOYSA-N", "SMILES:N#Cc1c(NC(=O)CNc2n[nH]c3ncccc23)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIGIADNCAWZUAB-CTNGQTDRSA-N", "SMILES:CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN[C@@H]2N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZHVLKHFYAVTB-OCCSQVGLSA-N", "SMILES:CCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIYIAVWWIGXXBQ-CTNGQTDRSA-N", "SMILES:CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCO[C@@H]2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMKNXICJRCGJX-MJGOQNOKSA-N", "SMILES:Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFCNZPCQOBXHD-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)C2(C)COC(C2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080386", "category": ["biolink:ChemicalEntity"], "name": "PHENETHYLCYMSERINE", "xref": ["InChIKey:WKDFOVDLOVYRAJ-JDXGNMNLSA-N", "SMILES:CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(CCc4ccccc4)[C@@H]2N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFVAMIJRYZDJQ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCC(=O)CCCCCCNC(=O)Oc3ccc4c(c3)CN3CCc5ccccc5C3N4C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFAPCBCSCQDFB-YHZPTAEISA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)CN1CCc3ccc(/N=N\\c4ccccc4)cc3C1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL433041", "category": ["biolink:ChemicalEntity"], "name": "EPTASTIGMINE", "xref": ["InChIKey:RRGMXBQMCUKRLH-CTNGQTDRSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C"], "synonym": ["Eptastigmine", "Eptastigmina", "N-demethyl-n-heptylphysostigmine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL130458", "category": ["biolink:ChemicalEntity"], "name": "TOLSERINE", "xref": ["InChIKey:JGAGHIIOCADQOV-CTNGQTDRSA-N", "SMILES:Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTKNVLLWOLCOV-JSGCOSHPSA-N", "SMILES:CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@@H]1N2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL519475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHRCJQCKYPDRL-IIUCQXFBSA-N", "SMILES:CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)([O-])[C@@H]1N2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5219685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBSKKNCJSYZBP-ACLUHKAVSA-N", "SMILES:O=C(CCCCC1CCSS1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYIIOKOSMAMRRE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)OCCNc1c2ccccc2nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRJBXDXPYHAQQQ-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)OCCN1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPSQYTBEQRIXAU-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCCSC(=S)N3CCCCC3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICOCDMPOQHBCX-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc(F)c(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLIQZBXCPTOHS-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1cccc(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOOSQKVZLZWQB-FQEVSTJZSA-N", "SMILES:COc1ccccc1CNS(=O)(=O)C[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSUWBBFTFIEPC-FQEVSTJZSA-N", "SMILES:CC(C)C[C@@H](CS(=O)(=O)NCc1ccc(Cl)cc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBEDHAFPTXPNJQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCNC(=O)Oc1cc(OC(=O)NCCCCCCCC)cc(OC(=O)NCCCCCCCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2220386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXKSWSRHKZPWJX-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cccc2c1NCC2CCC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCNLRHQAAYZHAN-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2[nH]cc(CCNC(=O)c3ccccc3Nc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4117443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYWTZCLVKUGBKA-UHFFFAOYSA-N", "SMILES:CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4116693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITYTBZFPWLRCG-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(C(O)CNC(C)(C)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEWFCVAVIWJNER-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(CNc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYMVWGJBVHCAR-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)ccc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBWCVIYAUXAVCQ-UHFFFAOYSA-M", "SMILES:CCOC(=O)c1cc2c(OC(=O)N(C)C)cccc2[n+](C)c1.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHZLWNOQTNOLTB-KTXUZGJCSA-N", "SMILES:COC(=O)c1cc2c(OC(=O)N(C)C)cccc2[n+]([11CH3])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFKPACEHFMZRW-JCDSVUNTSA-N", "SMILES:CCN1/C(=C/C(C)=O)Sc2ccc(OC(=O)OCCOCCNC(=O)c3cc4c(OC(=O)N(C)C)cccc4[n+](C)c3)cc21.COS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHYGTFAKWWZQW-UHFFFAOYSA-N", "SMILES:O=C(Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUGQDDJXYKRDAL-UHFFFAOYSA-N", "SMILES:CNC(=O)Oc1cccc2c1CCC1C2CCN1CCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMYGOHPPALBLV-UHFFFAOYSA-N", "SMILES:CCC(C)(C)NCC(O)c1cc(O)cc(OC(=O)N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKKZJZVPINEDJP-PZYGRECOSA-N", "SMILES:C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21.C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1193656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAFPZIPDWWVNRP-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(OC(=O)N(C)CC)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1190983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGATWFCSQRRDGY-UHFFFAOYSA-N", "SMILES:C#CCN(C)C1CCc2c(OC(=O)N(C)CC)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1739907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYVQXJDCRYLKMY-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(OC(=O)N(C)C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL340427", "category": ["biolink:ChemicalEntity"], "name": "XANTHOSTIGMINE", "xref": ["InChIKey:DNSUFPJFKSCBRT-UHFFFAOYSA-N", "SMILES:CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLFRLEXQOLTDLP-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cccc(CN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVHGMOFMMASRA-UHFFFAOYSA-N", "SMILES:CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(=O)c4ccccc4oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJGXTGDTRQMKRF-UHFFFAOYSA-N", "SMILES:CN(CCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1cccc(OC(=O)NCCCCCCCCCN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTGOFNKIKCWRND-MIXAMLLLSA-N", "SMILES:CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc3c(c2)O/C(=C\\c2cc(OC)c(OC)c(OC)c2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZIWUHHQSHKBY-DTQAZKPQSA-N", "SMILES:CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVUGJNFXBTADH-UHFFFAOYSA-N", "SMILES:CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc(-c3cc(=O)c4ccccc4o3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKAHGKQMJOMGBT-UHFFFAOYSA-N", "SMILES:CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2cccc(-c3cc(=O)c4ccccc4o3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTMBGYVFBGIVHT-UHFFFAOYSA-N", "SMILES:CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc(-c3cc4ccccc4oc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBNHGKORCNSKJ-UHFFFAOYSA-N", "SMILES:CCNC(=O)Oc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYACQRIFYXKET-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Oc2ccc(-c3coc4cc(OC(=O)N5CCN(C)CC5)ccc4c3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUOUWGWIRPBWCW-OAQYLSRUSA-N", "SMILES:CN(C)C(=O)Oc1ccc2c(c1)C=CCN(C)[C@@H]2CCOc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL194372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGBDKDNDXWHQP-SFHVURJKSA-N", "SMILES:CN[C@@H](CCOc1ccc([N+](=O)[O-])cc1)c1ccc(OC(=O)N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGNBJCWEIWRCU-PKOBYXMFSA-N", "SMILES:CC(=O)N1CC[C@@]2(O)c3cc(OC(=O)Nc4ccccc4)ccc3N[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFNXURINQVABPV-AZUAARDMSA-N", "SMILES:COc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(O)CCN(C(C)=O)[C@@H]2N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFPARWDVKKXLR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(Cc1ccc(OC(=O)Nc3ccc(Cl)cc3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFSLABZEPPKIZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1)CC(NC(=O)OCc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZYARDRBQJWTDL-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCC(NC(=O)OCc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNBFWMWGSHSBN-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCCC2NS(=O)(=O)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVGAPQUOOWFUNC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1ccccc1-c1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQCNYEAAKVLBEU-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1ccccc1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWBBDIISQYISM-VXLYETTFSA-N", "SMILES:CC/N=C1\\CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQUCCBKZVSQSCI-VXLYETTFSA-N", "SMILES:CC/N=C1\\CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1195259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACQQSVLNYFFGER-UHFFFAOYSA-N", "SMILES:C#CCNC1CCc2c(OC(=O)N(C)C)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1193856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUAGXUFRPKJMDF-UHFFFAOYSA-N", "SMILES:C#CCN(C)C1CCc2cccc(OC(=O)N(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQDTMBPMKTABL-UHFFFAOYSA-N", "SMILES:O=C1CCOc2cc(OCCCCCSC(=S)N3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGCHBPXHCXNIR-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRQMMDMQIHYKOY-UHFFFAOYSA-N", "SMILES:C#CCn1ccc2ccc(OC(=O)N(CC)CC)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMQJWJQVOCYQO-UHFFFAOYSA-N", "SMILES:CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NC2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBSWIDLITYLHS-UHFFFAOYSA-N", "SMILES:CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPKSHJTZCXULAH-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(=O)oc2cc(OCCCCSC(=S)N3CCCCC3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKYVMKQIWKXWDL-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(=O)oc2cc(OCCCCSC(=S)N3C(C)CCCC3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSJKFIAIYCDOK-SNAWJCMRSA-N", "SMILES:COc1cc(/C=C/c2ccc(OC(=O)N3CCN(C)CC3)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZGBXUOVADLFIU-SNAWJCMRSA-N", "SMILES:CN1CCN(C(=O)Oc2ccc(/C=C/c3cc(OC(=O)N4CCN(C)CC4)cc(OC(=O)N4CCN(C)CC4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSWDKXWUMTUTLY-WUKNDPDISA-N", "SMILES:O=C(Oc1ccc(/C=C/c2cc(OC(=O)N3CCN(Cc4ccccc4)CC3)cc(OC(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1)N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZMOXHDBCYXLAY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Oc1cccc(CN2CCN(c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOZKEZHBLWREJP-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHKENIJHZCYGC-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(O)c(C(=O)NCCCN2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUQBJXTPOYKIN-UHFFFAOYSA-N", "SMILES:CC1CCCCN1CCCNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCPSEUBMTPQSLE-UHFFFAOYSA-N", "SMILES:C#CCN1CCC(CCc2cccc(OC(=O)N(C)CC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZFFVKKUVUJADB-UHFFFAOYSA-N", "SMILES:C#CCN1CCC(CCc2cccc(OC(=O)Nc3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKWYHPPGZJEEH-HGUHJZMRSA-N", "SMILES:COC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCOC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKKPAUNGPKJRE-HGUHJZMRSA-N", "SMILES:COC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCOC(=O)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMUKKTVWODGPKK-LJFLDRDWSA-N", "SMILES:COC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCOC(=O)Nc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZUUTAYTFVCGFW-HGUHJZMRSA-N", "SMILES:COC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCOC(=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXWOJHQORWACKU-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)OCn1nc(-c2ccccc2OC)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAVKFSLPJQJXDB-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)OCn1nc(-c2ccccc2OC)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLSJGLKHRQTKAM-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(=O)n(COC(=O)Nc2ccc(C)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL147527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOOMCQRTUQTUJB-UHFFFAOYSA-N", "SMILES:C#CCN(C)C(C)Cc1cccc(OC(=O)N(C)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBMKRGOLSJXFN-UHFFFAOYSA-N", "SMILES:Cc1c(OC(=O)N(C)C)c(=O)ccn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUAGAUADBXAKF-UHFFFAOYSA-N", "SMILES:C#Cc1ccccc1NC(=O)OCCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPCUMIIYVEQFT-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(NC(=O)OCC[Si](C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFMYUDULPYCQHL-UHFFFAOYSA-M", "SMILES:CCN(CC)C(=O)OC1C[N+]2(C)CCC1CC2.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPJAGMRBZWMCT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)OC1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIPJVPOPOSHDET-JOCHJYFZSA-N", "SMILES:CC[C@@]1(c2cccc(OC(=O)Nc3ccccc3)c2)CCCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLCAPQSJNHUSMH-YBEGLDIGSA-N", "SMILES:O=C(CCN1C(=O)/C(=C/c2ccccc2O)SC1=S)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOSSSMSNUFLKK-APSNUPSMSA-N", "SMILES:O=C(CCN1C(=O)/C(=C/c2ccccc2O)SC1=S)Nc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBBAAIGYNSDRW-ATVHPVEESA-N", "SMILES:Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3O)SC2=S)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZDLHERUMFOBRU-BOPFTXTBSA-N", "SMILES:COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3O)SC2=S)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYCJMQKTKIYDO-YVLHZVERSA-N", "SMILES:O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZWPEXKMQEKHD-WJDWOHSUSA-N", "SMILES:O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMRVTFNRYQMTNZ-WJDWOHSUSA-N", "SMILES:O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVQBZRPEMKUBQ-PDGQHHTCSA-N", "SMILES:COc1cc(/C=C2\\SC(=S)N(CCC(=O)Nc3ccccc3Cl)C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1389046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKFQJFOXPXHEU-PDGQHHTCSA-N", "SMILES:COc1cc(/C=C2\\SC(=S)N(CCC(=O)Nc3ccccc3O)C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHBBNFQMDQOSA-AQTBWJFISA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)N(CCC(=O)Nc3ccccc3OC)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQAWIZPSBYEYCV-YVLHZVERSA-N", "SMILES:O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1598116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPNUJDBZEVRYLO-BOPFTXTBSA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHYENLXUFEHRD-YBEGLDIGSA-N", "SMILES:O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZSZAKFJMMBQRH-WJDWOHSUSA-N", "SMILES:O=C(NCCN1C(=O)/C(=C/c2ccccc2O)SC1=S)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVIFIOKTJVSXNE-WJDWOHSUSA-N", "SMILES:O=C(NCCN1C(=O)/C(=C/c2ccccc2O)SC1=S)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXZUOKIKLKZCBD-VKAVYKQESA-N", "SMILES:O=C1S/C(=C\\c2c(NCCO)nc3ccccn3c2=O)C(=O)N1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGBPMOMIFPUJDO-GXDHUFHOSA-N", "SMILES:O=C(CCN1C(=O)C/C(=C\\c2cccc(Br)c2)C1=O)Nc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQJKTCLROUHSF-CIAFOILYSA-N", "SMILES:OCCc1cc(Nc2ccc(F)cc2)nc(N/N=C/c2ccccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAVYNXVAYPYRFY-OEAKJJBVSA-N", "SMILES:Oc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDJCLKVZSQHEML-AFUMVMLFSA-N", "SMILES:Clc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZYTRMGSQCWMO-XQNSMLJCSA-N", "SMILES:C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUYPNOVLVHURP-PCLIKHOPSA-N", "SMILES:CC(=O)Nc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVTVVRGPXZFPU-WPWMEQJKSA-N", "SMILES:CC(=O)Nc1ccc(/C=N/Nc2nc(NCc3ccccc3)nc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVLRJCSUOKVMQL-HZHRSRAPSA-N", "SMILES:CC(=O)Nc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(NN3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPZMGUUBBGUJMB-YDZHTSKRSA-N", "SMILES:Cc1ccc(Nc2nc(N/N=C/c3ccccc3O)nc(NN3CCOCC3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKDUMJXDPRLRH-ZVHZXABRSA-N", "SMILES:Oc1ccccc1/C=N/Nc1nc(NCc2ccc(F)cc2)nc(NN2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTZQKNMBBZLIV-HZHRSRAPSA-N", "SMILES:Oc1ccccc1/C=N/Nc1nc(NCc2ccccc2)nc(NN2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPACSSMURZWNDD-ZVHZXABRSA-N", "SMILES:Oc1ccc(Cl)cc1/C=N/Nc1nc(NCc2ccccc2)nc(NN2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSURNGWKMOCPFM-VULFUBBASA-N", "SMILES:O=[N+]([O-])c1cccc(/C=N/Nc2nc(NCc3ccccc3)nc(NNc3ccc(F)cc3)n2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSNTQSFSRYGSD-LPYMAVHISA-N", "SMILES:Oc1ccccc1/C=N/Nc1nc(Nc2cccc(Cl)c2)nc(NN2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXMXTPMUWSXQGV-KGENOOAVSA-N", "SMILES:CCN(CC)Nc1nc(N/N=C/c2ccccc2O)nc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJVCXRXJBGXSSE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(NC(=O)c3ccccc3C(=O)O)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJADAXDXLVIAJA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)Nc1nnc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEKGGRRLKUCZAY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2nnc(NC(=O)c3ccccc3C(=O)O)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRXPLNAIHCTIT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPRQAJLGXUTAQS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVCURWVNYROAI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWOUUKPRRRLWGQ-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSLCCASOCEHQP-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])s1)c1ccccc1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYONCKFAYHTGSP-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1nnc(NC(=O)c2ccccc2S(=O)(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYVMHRNWFAOBER-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Nc1ccc(-n2cc(CO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1443422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMGCNSZBVIPYHM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2011808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFIMHAQYQWDJI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Nc1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKLYNYSRJGANON-UHFFFAOYSA-N", "SMILES:Nc1cccc(NC(=O)Nc2cccc(N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXSERQQZIAXFJ-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3ccccc3OC3CCCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDVKCVDAQFOMGD-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cn(-c2ccc(NC(=O)Nc3ccccc3F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIMPUOYMGNDOMM-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cn(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMKDRBRJVFFEX-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3ccccc3F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMMVGAJTABRLI-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUSNTPNJZSMOFA-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cn(-c2ccc(NC(=O)Nc3ccc4cnccc4c3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMGGVDLCELVVKS-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(NC(=O)Nc3ccc(C)nc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQICMDWTUCKBHS-UHFFFAOYSA-N", "SMILES:CCCCc1nnc(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJFCUGBTBLZIIS-UHFFFAOYSA-N", "SMILES:CCCCc1nc(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWLKGWNCQNZFM-UHFFFAOYSA-N", "SMILES:CCCCn1nnc(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMNZIBGZFIFKF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Nc2nc3ccccc3[nH]2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFUMBFOUOVWMC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYJBZJTVBKKVNU-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1cc(C)nc2c3cc4ccccc4nc3nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQGOQNTWNLHXMY-GOSISDBHSA-N", "SMILES:COc1ccc(-c2c3occc3c(OC[C@H]3OC3(C)C)c3ccc(=O)oc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNNSQDTGKIUCY-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3cnccc3OC)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGJAEDFOKNAMQD-KHPPLWFESA-N", "SMILES:C=CC(O)C#CC#CC/C=C\\CCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL464796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWCNQXNAFCBLLV-UVTDQMKNSA-N", "SMILES:C=CC(O)C#CC#CC(O)/C=C\\CCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5221035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWVCSBAIAWGOG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZIPUBCVABNVBJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)nn1)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQPLIREFYUEPX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Cl)c2)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKNNENSWYKRFK-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(C(F)(F)F)c2)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKHVYEKNAOYHSG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCNc2nonc2/C(=N/O)Nc2cccc(Br)c2)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLDNROYLVNIMO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCNc2nonc2/C(=N/O)Nc2cccc(Cl)c2)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIAYIPXLMATRX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCNc2nonc2/C(=N/O)NCc2cccc(Br)c2)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKAAXHOBEJKVSB-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc(N/C(=N\\O)c2nonc2NCCn2cc(CNC(=O)c3ccccn3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZYIHKOQNZRVDR-UHFFFAOYSA-N", "SMILES:Cc1ccc(Br)cc1N/C(=N\\O)c1nonc1NCCn1cc(CNC(=O)c2ccccn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUSMPSGJWLRFOZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCNc2nonc2/C(=N/O)Nc2cc(Br)cc(Br)c2)nn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSSYKTUFZEOHH-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CCNc2nonc2/C(=N/O)NCc2cccc(Br)c2)nn1)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSUXLNEXORTJB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3nc4n(c(=O)c3c2)-c2ccc(F)cc2C4=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDXJWMLJSOEGR-UHFFFAOYSA-N", "SMILES:c1ccc(CCc2ccccc2-c2c[nH]nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCXFGRUWWFVBM-UHFFFAOYSA-N", "SMILES:NOC(c1ccccc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGEZCJWKNXCEOD-WUPUIUNKSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)N(C)CCOc1ccc(C(=C2CCC(C)CC2)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL36501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUPGPJBRKLLVNK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Br)cc2)n1"]}
{"name": "1-acyl-sn-glycerol-3-phosphate acyltransferase beta", "xref": ["CHEMBL.TARGET:CHEMBL4772"], "id": "UniProtKB:O15120", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBWJBMIMUGGOB-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNSDIGYWXNGCC-UHFFFAOYSA-N", "SMILES:CCc1ccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWCMRJIQVAHDCC-UHFFFAOYSA-N", "SMILES:CCc1c(-c2nc(N)nc(Nc3ccc(C)cc3)n2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL66782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMBCCZAWOWOXBW-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(N)nc(-c3ccccc3)n2)ccc1-c1cnco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHUVVOQGUDSTTM-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(c3nc(N)nc(Nc4ccc(C)c(C)c4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STKSULQULJWEMU-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)c(C)c4)n3)CC2)c1"]}
{"name": "NADPH oxidase 3", "xref": ["CHEMBL.TARGET:CHEMBL1741216"], "id": "UniProtKB:Q9HBY0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADPH oxidase 5", "xref": ["CHEMBL.TARGET:CHEMBL1926497"], "id": "UniProtKB:Q96PH1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJCHUXZLJMJSPN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNNYMZEMGROFW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C(C)(C)Sc3ccc4ccccc4c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCRLDDWRDAIHGO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1nc(N)nc(COc2ccc3c(C)cc(=O)oc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFBWIVZIRCEPKF-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZDKGZTSXGLMG-UHFFFAOYSA-N", "SMILES:Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1325639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODORGMQBDYQAY-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHNUMVMPDKNPFZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUTIZRQRTBIILE-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CCC(=O)O)[se]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZWDQUHPJLZFKJ-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CC(C)C(=O)O)[se]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQHPFYQJHFPHN-UHFFFAOYSA-N", "SMILES:CCC(CC(=O)c1cc2cc(OC)c(OC)cc2[se]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBWHPKUHUYMXJX-UHFFFAOYSA-N", "SMILES:CCCC(CC(=O)c1cc2cc(OC)c(OC)cc2[se]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYUAFJBPBIPNEI-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CC(C(=O)O)C(C)C)[se]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFRGAOOECFWFJ-UHFFFAOYSA-N", "SMILES:COCC(CC(=O)c1cc2cc(OC)c(OC)cc2[se]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSXWRTZGGXDVPR-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CC(C)(C)C(=O)O)[se]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILQMKRHEMBXRS-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)C3CCC3C(=O)O)[se]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFNEMLDILDRLF-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)C3CC3C(=O)O)[se]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQHPFYQJHFPHN-SECBINFHSA-N", "SMILES:CC[C@H](CC(=O)c1cc2cc(OC)c(OC)cc2[se]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKVFNGXZTVDMMN-UHFFFAOYSA-N", "SMILES:CCC(=O)C(C)CC(=O)c1cc2cc(OC)c(OC)cc2[se]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHHUVIRYZNBJR-UHFFFAOYSA-N", "SMILES:CCC(CC(=O)c1cc2cc(OC)c(OC)cc2s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUXKYHPUUGENNB-UHFFFAOYSA-N", "SMILES:COc1ccc2[se]c(C(=O)CC(C)C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFMUUWKBJMLNR-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)CC(C)C(=O)O)[se]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSLBKBFKLUWLQ-UHFFFAOYSA-N", "SMILES:CC(CC(=O)c1cc2cc3c(cc2[se]1)OCO3)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTKADSISWDDAN-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)CC(C)C(N)=O)[se]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIRLNVESFOKRC-UHFFFAOYSA-N", "SMILES:CCC(CC(=O)c1cc2cc(OC)c(OC)cc2o1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1258117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCIAOHYVDXDCLF-HLGBLHBBSA-N", "SMILES:CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSSIEJNTKGYHRD-NMOFPLQQSA-N", "SMILES:CC(C)[C@@]12C[C@@H](C[C@@H](CCCCc3ccccc3)O1)OC(=O)C[C@H](CO)OC(=O)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOSDGPURRZWOOC-YCAMKHIRSA-N", "SMILES:CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@H](CCCCCCc3ccccc3)C[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYISGZCTJCPVJL-RYUDHWBXSA-N", "SMILES:Cn1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSZUIVPHVBAFMS-STQMWFEESA-N", "SMILES:Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAOHPDNOIGNDGW-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VITVOTZKLJOBER-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCO5)CC3)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBLUDHNLZWIGU-KDOFPFPSSA-N", "SMILES:C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBLUDHNLZWIGU-KSSFIOAISA-N", "SMILES:C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPILYNBCOWLNF-GDBMZVCRSA-N", "SMILES:C[C@@H]1C[C@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPILYNBCOWLNF-ZBFHGGJFSA-N", "SMILES:C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GENULIYVANRSHB-UHFFFAOYSA-N", "SMILES:CC1COc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5scnc5c4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZSBBIJSWKIHSQ-KBPBESRZSA-N", "SMILES:Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZKKOYPFYDNBFO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cccnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMIINYREPSZMFP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2snnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYUKFFMWRNHJEF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKHBHUPNMRIFT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDVYCHPBMFHGT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCCKZFKLXRZIRG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4scnc4c3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDAPMTIPYPBRGP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXYFPSMGLHFUDN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESJRPNWJIVCFE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJQOVZCVSJOBRD-UHFFFAOYSA-N", "SMILES:CC1Cc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5scnc5c4)CC3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHOFQFNTLIYAGB-MDZDMXLPSA-N", "SMILES:CC(C)c1snc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPJXOBPPVRGGK-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(=O)O)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)nsc2C2CC2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSACXXDOCBWKET-UHFFFAOYSA-N", "SMILES:CC(C)c1snc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(C(=O)O)cc2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHMPVJFUFRFDV-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(C(=O)O)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)nsc2C(C)C)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NARHICHEGGNHMY-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)nsc2C2CC2)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYTRWEPOQXNVCK-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(=O)O)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)nsc2C2CC2)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVJSNIKDQRLOKY-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(C(=O)NO)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)nsc2C2CC2)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSUCMFLWOTUNB-UHFFFAOYSA-N", "SMILES:CC(C)c1snc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2cccc(-c3nn[nH]n3)c2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRMVCMUMKLZSTO-UHFFFAOYSA-N", "SMILES:CC(C)c1snc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(C(=O)O)s2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYRJDELSOCVAJU-UHFFFAOYSA-N", "SMILES:CC(C)c1snc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ncc(C(=O)O)n2C)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTAFZMYGSWVUJX-QMEBOKCZSA-N", "SMILES:C/C=C(\\C)[C@@H]1C(C)=C[C@@H]2CC(C)=CC[C@H]2[C@@H]1/C=C/C=C(\\C)[C@@H](O)[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXIUJZSLPZZIM-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2316902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVZTTHCKAIJNU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(C#Cc3cccc(C(F)(F)F)c3)c(-c3ccccc3)oc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZBWTLMZWRTUAP-UHFFFAOYSA-N", "SMILES:O=C(C(c1ccccc1)S(=O)(=O)O)N1CCCC2CCCCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOXNXNFRYYRMP-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXFNBHKKGLMCN-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVBNRWITESBSFO-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2cc(Cl)c(O)c(Cl)c2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELWXSVQTPMCEM-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2cc(Cl)c(O)c(Cl)c2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGDFJPVVKISNSR-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2cc(Cl)c(O)c(Cl)c2)ccc1OCc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGKFCHPCQBBSKS-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(=Cc2cc(-c3cc(Cl)c(O)c(Cl)c3)ccc2OCc2ccc(Cl)cc2)C(=O)N(C)C1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIICGWXCANJQKM-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(OCc2ccc(Cl)cc2)cc(-c2cc(Cl)c(O)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNJXKWDSPHVKR-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)c(-c2cc(Cl)c(O)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQPVILMZHBNAL-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1-c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHUXNLGJZZXNA-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccccc2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQHUYZOZFYLKOZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(OCc3ccc(Cl)cc3)c(C=C3C(=O)NC(=S)NC3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCQIJUCETUMEY-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPEQJXCBOBKDBG-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOKVPWIFLCBCMS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2ccc(OCc3ccc(Cl)cc3)c(C=C3C(=O)NC(=S)NC3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNVHYNQOUZLML-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccc(O)c(Cl)c2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTUZQXBYFOXBBX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(OCc3ccc(Cl)cc3)c(C=C3C(=O)NC(=S)NC3=O)c2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZOCDMJVKFYCI-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccc(O)c(F)c2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIIRNQJJQUCJFW-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccc3occc(=O)c3c2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVCEBOPOMZZNB-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cc(-c2cc3ccccc3s2)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMBULOMYBEAPX-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(=Cc2cc(-c3cc(Cl)c(O)c(Cl)c3)ccc2OCc2ccc(Cl)cc2)C(=O)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJXBDMVPIKCLMD-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccc(Cl)cc2)cccc1-c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAXCNJRPMINWKV-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc(Cl)c(O)c(Cl)c2)c(OCc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRWJHJJYNHXRO-UHFFFAOYSA-N", "SMILES:N=C(NCCCN1CCCCC1)Nc1nc2c(c(-c3ccoc3)n1)CCC2"]}
{"name": "Dystrophin", "xref": ["CHEMBL.TARGET:CHEMBL5169117"], "id": "UniProtKB:P11531", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYKKLGVGMTKJY-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=N)NCCCN2CCCC2)nc(-c2ccoc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHLLRLBRUAOFI-QFHPJZRHSA-N", "SMILES:C/C(=N\\NCCCN1C(=O)S/C(=C\\c2ccc(OCc3ccccc3)cc2)C1=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWDPJLZQTYDHD-PGMHBOJBSA-N", "SMILES:C#CCNCCCN1C(=O)S/C(=C\\c2ccc(OCc3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALJDVYOQIQNOE-GLBLTRFTSA-N", "SMILES:C/C(=N\\NCN1C(=O)S/C(=C\\c2ccc(OCc3ccccc3)cc2)C1=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UILFRIQZWZPHBD-OOVDNXGRSA-N", "SMILES:C/C(=N\\NCN1C(=O)S/C(=C\\c2ccc(OCc3ccccc3)cc2)C1=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1466353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NITHMFXIRVGRJD-XNTDXEJSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCc3ccccc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEKOKFFNZCEVSV-XNTDXEJSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(NCc3ccccc3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZFWQYDCHAHYKD-DHZHZOJOSA-N", "SMILES:C#CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COKNPTWLLZBCKS-DHZHZOJOSA-N", "SMILES:C#CCNc1ccc(/C=C2/SC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULTRQKVHXRQONI-LTGZKZEYSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(OCCN3CCN(Cc4ccccc4)CC3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMTUNCJEURLEA-LTGZKZEYSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(NCCN3CCN(Cc4ccccc4)CC3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGDKSFATZGQJW-SAPNQHFASA-N", "SMILES:C#CCN1CCN(CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRKWPLRUNDARPK-SAPNQHFASA-N", "SMILES:C#CCN1CCN(CCNc2ccc(/C=C3/SC(=O)NC3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELDJCNXAPGXMU-RMYUHZIOSA-N", "SMILES:C/C(=N\\NCCCN1C(=O)S/C(=C\\c2ccc(OCc3ccccc3)cc2)C1=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISVZHUATIHCQV-SDNWHVSQSA-N", "SMILES:C#CCNCCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYLXXMMNQVHYMK-CPNJWEJPSA-N", "SMILES:C#CCNCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRDFLBINVZYMRB-XYOKQWHBSA-N", "SMILES:C#CCNCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBSNNWJMBOZCP-FOWTUZBSSA-N", "SMILES:C#CCN1CCN(CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIEIYNASHHWCHJ-HAVVHWLPSA-N", "SMILES:C#CCN1CCN(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQIVKJIDMTNLR-XFXZXTDPSA-N", "SMILES:CN(C)c1ccc(/C=C2\\SC(=O)N(CCN)C2=O)cc1"], "synonym": ["L-136662"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEZFPVMURCGETD-UHFFFAOYSA-N", "SMILES:CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(B(O)O)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSUTHCPEITSEK-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCC(=O)O)c(O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSQEBCAQWKJNH-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUENHWKSFWUJEQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWDUFGHLUVWGM-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(Br)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJGBEQKCCITWNN-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCC(=O)O)c(O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTMTERIIALDND-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cnc(NS(=O)(=O)c2cccc(Cl)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRKHVZOOIDKIIK-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATXZMTVEDWYQP-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAQFJQAUSXIUGC-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cnc(NS(=O)(=O)Cc2ccccc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQJTVIBCNSKMLN-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cnc(NS(=O)(=O)c2ccccc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMYTFWVTKAQJA-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cnc(NCc2ccccc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPPWIUOZRMYNY-FJKVMUFJSA-N", "SMILES:[2H]C([2H])([2H])[C@@]([2H])(NC(C)(C)C)C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPPWIUOZRMYNY-VONWFZARSA-N", "SMILES:[2H]C([2H])([2H])[C@]([2H])(NC(C)(C)C)C(=O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPPWIUOZRMYNY-JGVQANRZSA-N", "SMILES:[2H]C([2H])([2H])C(N[C@]([2H])(C)C(=O)c1cccc(Cl)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPPWIUOZRMYNY-DFCQVBDGSA-N", "SMILES:[2H]C([2H])([2H])C(N[C@@]([2H])(C)C(=O)c1cccc(Cl)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPPWIUOZRMYNY-SECBINFHSA-N", "SMILES:C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5218579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGQZKREINLHBC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(OCc3ccccc3)cc2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBAAGDURJXKFO-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(OCc3ccc(Br)cc3)cc2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSUPZGBGSLEZJD-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORWQCVFRNYBMCB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(OCc3ccc(F)cc3)cc2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUTIETJDHJBZJU-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(OCc3ccc4ccccc4c3)cc2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRPPLXJKPGZDLL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(OCc3cccc(Br)c3)cc2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIIKCQOXYZVIJQ-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPMOTHAZKSUNDL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDSJKFQALTXWHD-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(OCc3cccc(I)c3)cc2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHBNWLCLEBDHJX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(OCc3cccc(C(F)(F)F)c3)cc2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMOGXHBOPOTASI-AWEZNQCLSA-N", "SMILES:CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRVCAFJSTZTGB-INIZCTEOSA-N", "SMILES:CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYAWZNJZRKNKAO-IBGZPJMESA-N", "SMILES:O=C(NO)c1ccc(Cn2c([C@@H]3CC4(CC4)CN3c3ncnc4[nH]cnc34)nc3cccc(F)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFYKWYZSBIMFJ-IBGZPJMESA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CC2(CC2)C[C@H]1c1nc2cccc(F)c2c(=O)n1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCAIUJCVNWJJGF-INIZCTEOSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CC2(CC2)C[C@H]1c1nc2cccc(F)c2c(=O)n1Cc1ccc(C(=O)NO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQAARWEXISSRH-IBGZPJMESA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBELCIYBIARHIU-INIZCTEOSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1Cc1ccc(C(=O)NO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBIGAQCREXKXGK-INIZCTEOSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1Cc1cc(C(=O)NO)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWJOFWYEMCIGG-YKSBVNFPSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1C[C@H](OC(=O)NCc2ccc(C(=O)NO)cc2)C[C@H]1c1nc2cccc(F)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDJSZYKOWYHAZ-YKSBVNFPSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1C[C@H](OC(=O)NCc2ccc(C(=O)NO)cc2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDJSZYKOWYHAZ-RDPSFJRHSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1C[C@@H](OC(=O)NCc2ccc(C(=O)NO)cc2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKHLYUBYWUGYQM-BEFAXECRSA-N", "SMILES:Cn1c([C@@H]2C[C@@H](OCc3ccc(C(=O)NO)cc3)CN2c2nc(N)nc(N)c2C#N)nc2cccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMCCGKCRIEJCC-BZNIZROVSA-N", "SMILES:Cn1c([C@@H]2C[C@@H](OCc3ccc(C(=O)NO)s3)CN2c2nc(N)nc(N)c2C#N)nc2cccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBEFMIZHXNLOLO-BEFAXECRSA-N", "SMILES:Cn1c([C@@H]2C[C@@H](OC(=O)NCc3ccc(C(=O)NO)cc3)CN2c2nc(N)nc(N)c2C#N)nc2cccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHPCRCMIOOYQK-UZLBHIALSA-N", "SMILES:CN(Cc1ccc(C(=O)NO)cc1)C(=O)O[C@@H]1C[C@@H](c2nc3cccc(Cl)c3c(=O)n2C)N(c2nc(N)nc(N)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMFZSZCTPXEGCR-UZLBHIALSA-N", "SMILES:Cn1c([C@@H]2C[C@@H](OC(=O)NCCc3ccc(C(=O)NO)cc3)CN2c2nc(N)nc(N)c2C#N)nc2cccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLFCTXROLUWFJV-BZNIZROVSA-N", "SMILES:Cn1c([C@@H]2C[C@@H](OC(=O)NCc3ccc(C(=O)NO)s3)CN2c2nc(N)nc(N)c2C#N)nc2cccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPWVTJIAPNCTKA-SFHVURJKSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPGKGVSXJILIMG-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1ccc(C(=O)NO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJNPVBINDZLOU-ZDUSSCGKSA-N", "SMILES:CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1ccc(C(=O)NO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHXJAHBVIRGHIC-HNNXBMFYSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1Cc1ccc(C(=O)NO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUAFQBBIIYDRW-SFHVURJKSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CCC[C@H]1c1nc(NCc2ccc(C(=O)NO)cc2)c2c(Cl)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSLDNTVFDBWLH-IBGZPJMESA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CC2(CC2)C[C@H]1c1nc(NCc2ccc(C(=O)NO)cc2)c2c(Cl)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPHOGPPDXPVCMQ-FQEVSTJZSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N1CC2(CC2)C[C@H]1c1nc(NCCc2ccc(C(=O)NO)cc2)c2c(Cl)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCOOAERXXWCTKI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(N)ncnc2cc1-c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWGLQGHMTWDJL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(N)ncnc2cc1-c1cccc(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBHHPRBEZWKUQB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(N)ncnc2cc1-c1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APSBNHLAVUNUOP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2cc3ncnc(N)c3cc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WATBHWIEDLGEPQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(N)ncnc2cc1-c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXAYEGOHFOKMR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(N)ncnc2cc1-c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOVRDQZOWROYFT-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(N)ncnc2cc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMDCTCOXQJTFX-JRKPZEMJSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1C[C@@]2(CO)CC[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILODEJWJAFZST-QFIPXVFZSA-N", "SMILES:CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5218502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZIGCRSLUGEHCO-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NCc4ccccc4-n4cncn4)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRZQNKZFZYXWAP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1730394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESKWLXKTLBNGU-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQTMHVQEQXAFBE-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFPVBQAEFDNIN-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJYQICVSMCOILE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(F)(F)F)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLZUZVMUPJTHZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLVIQOSJLDJBV-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPUWPELACJGEGU-UHFFFAOYSA-N", "SMILES:CC1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)ccc3OC(C)C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDXQZWEFMNLOY-UHFFFAOYSA-N", "SMILES:CC1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)ccc3OCC3CC3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQQCPXBQYCDKEF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEKDMTVECYGBQO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHQUQFYCDXKHU-INIZCTEOSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKJSFXEARCUFG-AWEZNQCLSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHQUQFYCDXKHU-MRXNPFEDSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKJSFXEARCUFG-CQSZACIVSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILAFWUPCNXBOP-MRXNPFEDSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYJNJTUMJQBEB-INIZCTEOSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYJNJTUMJQBEB-MRXNPFEDSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPRAYGMSYYEJC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)N1CCCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTCJQKDJZHRHAQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEEBZUFCUPLHPU-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1306056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZUXJYUQYXXFI-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLGDHFWAPSPIV-UHFFFAOYSA-N", "SMILES:CCCC1CCN(C(=O)N2CCN(S(=O)(=O)N3CCN(CC(=O)Nc4cc(Cl)ccc4OC)CC3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTLICZBBQTVWJG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CN(C)CCN(C)S(=O)(=O)N1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMZUHYYUZQQQMD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)N1CC2(C1)CN(S(=O)(=O)N1CCC(C)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KADCMHIWKRVQBD-UHFFFAOYSA-N", "SMILES:CC1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVFNZPSBDUEREY-UHFFFAOYSA-N", "SMILES:CC1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(Cl)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSLZCLCXOHHLJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRVCMYDAMDDBV-UHFFFAOYSA-N", "SMILES:CC1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)ccc3F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMIRISBCSPKEIT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCN(C(=O)N3CCC(C)(C)CC3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWYWEMFGMBRPAC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CC1CCN(S(=O)(=O)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNXMOMVCLJASG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)CN(S(=O)(=O)N1CCC(C)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRCZFTAIXMWXBX-UHFFFAOYSA-N", "SMILES:CC1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCLCTUBZKIGSO-HZQOKBKYSA-N", "SMILES:CCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(/C=C2\\SC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWGNOPNSSYINV-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)c1ccc(OCC(=O)NC2c3ccccc3CCc3cc(OCC(=O)NCCCC)ccc32)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOLFEQBDJZXDO-LJQANCHMSA-N", "SMILES:CCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CSC(=S)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTCYEFHAZZZGSM-LJQANCHMSA-N", "SMILES:CCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCCCCSC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMYTEYPHSHUNA-HXUWFJFHSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCC)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHUFSKZTKPYED-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)COc1ccc2c(c1)CCc1ccccc1C2NC(=O)CCCOc1cc([N+](=O)[O-])c(C(C)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNYGKOGHKOAHS-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)COc1ccc2c(c1)CCc1ccccc1C2NC(=O)CSC(=S)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFOOFBBYDDTQQB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(n2)CC(NC(=O)c2ccccc2C)=CC3)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPKLPWRNQLJDY-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZSBHRZHFOYGS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3n(n2)C(=O)CC(c2cccc4ccccc24)S3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVIKNWASUQDUMO-UHFFFAOYSA-N", "SMILES:O=C1NCCN(C(=O)c2cccc(-c3cnn4ccccc34)c2)C1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDEIXBPHYGZJLS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)cc(C(=O)NC3CCc4c[nH]nc4C3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPLSUKWXXSBCU-VGXGLJSLSA-O", "SMILES:NC(=O)c1ccc[n+]([C@@H]2C[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL96695", "category": ["biolink:ChemicalEntity"], "name": "CAPURAMYCIN", "xref": ["InChIKey:BISOEENGZHMDEO-RLXIHFJVSA-N", "SMILES:CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)N[C@H]2CCCCNC2=O)=C[C@H](O)[C@@H]1O)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4746444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPNVEBUXSKZCY-OXHOPNEESA-N", "SMILES:NC(=O)[C@H](O[C@H]1OC(C(=O)N[C@H]2CCCCNC2=O)=C[C@H](O)[C@@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5220005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISOEENGZHMDEO-MSHAWMIOSA-N", "SMILES:CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@H](O[C@H]1OC(C(=O)N[C@H]2CCCCNC2=O)=C[C@H](O)[C@@H]1O)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5218857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDXBNMPSZLKCIU-KGNKBGLASA-N", "SMILES:CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@H](C#N)O[C@H]1OC(C(=O)N[C@H]2CCCCNC2=O)=C[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWEXFMKOAOBDMR-RCELOXIMSA-N", "SMILES:O=C(N[C@H]1CCCCNC1=O)C1=C[C@H](O)[C@H](O)[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYFUNHIFMBZCB-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cc(NC(=O)CS(=O)(=O)O)cc1Br"]}
{"name": "Low molecular weight phosphotyrosine protein phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL3593153"], "id": "UniProtKB:Q9D358", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGEMZMYUTTZMCI-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1ccc(N2CCOCC2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWKZLBEUSPLFY-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cc(NC(=O)NS(=O)(=O)O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONHYUPSQMPDIJ-LLVKDONJSA-N", "SMILES:Cc1c(Br)cc(NC(=O)[C@@H](c2cncs2)S(=O)(=O)O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCDFOLIHRWFAHC-SECBINFHSA-N", "SMILES:Cc1c(Br)cc(NC(=O)[C@@H](C#N)S(=O)(=O)O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUOURWIFJAOTE-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1nc2ccc([N+](=O)[O-])cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWMASMOHMLAJT-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NC(=O)CS(=O)(=O)O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSELGBQBKYKNCU-UHFFFAOYSA-N", "SMILES:Cc1cc([N+](=O)[O-])c2nc(NC(=O)CS(=O)(=O)O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXGRFTFAHKVNIL-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1nc2cc([N+](=O)[O-])ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHFLFXDBVDZUBL-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1nc2cccc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHZNNGJQVSKSKZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2nc(NC(=O)CS(=O)(=O)O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIDNCVNVQMSQBJ-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1nc2ccc(C(=O)N3CCCC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULCCSNBOYHKKY-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKCWBFFSPPZPLP-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHZWJHMBSUBAU-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWCKMZZBHNJJF-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1cc(Br)cc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFSMYVGIZRSJFH-UHFFFAOYSA-N", "SMILES:N.O=C(CS(=O)(=O)O)Nc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXIZSWMQRVRHJ-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1cc(I)cc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUUUNCXOZVBGTQ-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODCYCDCSCZZIFI-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1cc(Br)cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFFZTOJGNWHHSD-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1cc(Br)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNUSTGGXCKNJJI-UHFFFAOYSA-N", "SMILES:N.O=C(CS(=O)(=O)O)Nc1cc(Br)cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGALJBJIBRHQB-UHFFFAOYSA-N", "SMILES:N.O=C(CS(=O)(=O)O)Nc1cnc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLYOFGFPGKZUSD-UHFFFAOYSA-N", "SMILES:O=C(CS(=O)(=O)O)Nc1cnc(N2CCOCC2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBYRUSLVYEHAB-UHFFFAOYSA-N", "SMILES:O=C(CP(=O)(O)O)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBLCANYUVKXSP-UHFFFAOYSA-N", "SMILES:N.O=C(Nc1nc2ccccc2s1)NS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFKPXVPPBGREQH-UHFFFAOYSA-N", "SMILES:N.O=C(Nc1ccc(N2CCOCC2)c(Br)c1)NS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQGZJCVIUUPRF-UHFFFAOYSA-N", "SMILES:N.O=C(Nc1nccs1)NS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKLIZLBCKOAEA-UHFFFAOYSA-N", "SMILES:N.O=C(Nc1ccccc1)NS(=O)(=O)O"]}
{"name": "Low molecular weight phosphotyrosine protein phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL5169132"], "id": "UniProtKB:P41498", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGBNRINQSQNJG-IQDHSYJRSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YERSCBKHRFYRCS-PYWNEMQOSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKZADVKLYZJZAT-UEAHGJSOSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POXNWAKBUPVUJJ-VVCZUJSASA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URLVWJGWWWWSKJ-CPKYMOPRSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOLYNHSRGDSKEP-ILVTXYBSSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULRMGHXVPVNIJG-ILVTXYBSSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTYOYVLZMQXHDZ-XAJGXQBMSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOFUKBYLQHJMU-IGYHCSNNSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFUAUNIDOLGNB-LGIYVLGQSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUDKPBHEZLTKD-IGYHCSNNSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NCCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INEZWLHPPXKSRU-XAJGXQBMSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCVAAIKFNGEJSO-ILVTXYBSSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGBNRINQSQNJG-FMXPWWRVSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPXQUOXZEXEWAH-WAPOASIOSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1548182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCIYRPJQBJFFL-UHFFFAOYSA-N", "SMILES:CC(=O)N1NC(=C2C(=O)N(C)C(=O)N(C)C2=O)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGPFZOGHXZIQKE-UHFFFAOYSA-N", "SMILES:CCCC(=O)N1NC(=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCCHZDGDMSTQT-UHFFFAOYSA-N", "SMILES:NCCNS(=O)(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSXWCJWWXTEGQ-UHFFFAOYSA-N", "SMILES:NCCCNS(=O)(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPIOMVVZPSRDW-VWNXMTODSA-N", "SMILES:N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPIOMVVZPSRDW-UPVQGACJSA-N", "SMILES:N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTVXTHPTRFSHT-UHFFFAOYSA-N", "SMILES:NC1CCCC(NS(=O)(=O)c2ccc(-c3ccc(CSc4nc5c(c(=O)[nH]4)CCC5)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOPJVLNZWRCZFI-UHFFFAOYSA-N", "SMILES:CC(N)CNS(=O)(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUCBCNWROIZHI-UHFFFAOYSA-N", "SMILES:CNCCCNS(=O)(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXQDNWVDMPHOB-UHFFFAOYSA-N", "SMILES:CN(C)CCNS(=O)(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRZSRMXZQHPNOV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)NCCO)cc3)cc2)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTGUHKBEYKNLRI-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNS(=O)(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLXFWKLRZEMQU-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)NCC(O)C(F)(F)F)cc3)cc2)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZHKBCGYASIGC-GOSISDBHSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)NC[C@@H](O)CO)cc3)cc2)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZHKBCGYASIGC-SFHVURJKSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)NC[C@H](O)CO)cc3)cc2)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVRSDFQRSNOJK-DNQXCXABSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)N[C@@H]4CCCC[C@H]4O)cc3)cc2)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVRSDFQRSNOJK-ZEQRLZLVSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)N[C@H]4CCCC[C@@H]4O)cc3)cc2)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJIVCOIGKWHZKA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)cc2F)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWAFRZKMVICBLS-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)N4CCS(=O)(=O)CC4)cc3)cc2F)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLNUHAWLVSHEEL-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(CSc4nc5c(c(=O)[nH]4)CCC5)c(F)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHALRFKYZMKVQQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)NC4CNC4)cc3)cc2F)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCRZOHKTQUUZHC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)NC4COC4)cc3)cc2F)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCNBUHEBFGRER-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)NC4CC4)cc3)cc2F)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAPPSKUDCWIYES-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)c(F)c3)cc2F)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBFLESWEHBKFNR-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(CSc4nc5c(c(=O)[nH]4)CCC5)c(F)c3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFWAJINGCIKQM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)NC4CNC4)c(F)c3)cc2F)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXHYAKNKVDRIH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)NC4COC4)c(F)c3)cc2F)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZCZYUNCQFWHSV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(SCc2ccc(-c3ccc(S(=O)(=O)NC4CC4)c(F)c3)cc2F)nc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYOUIBSVQUMNRG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAMGTOGWVXQBDJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCNCC3CCN(C(=O)c4ccc(F)c(Cl)c4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEGGTXFNMFKXIY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCCCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDKXZEOXLQJAKW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCCCCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSGJLXCMGCJIHY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(NCCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTQLAJAELADED-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVDYGHKKMVAHE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(F)c1)N1CCC(CNCCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVXVADHNMPBHV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUJEOINNYRUHX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCC(CNCCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNDYFIDNVJZKAF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)N1CCC(CNCCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCVIGPQXPNXQSD-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1)N1CCC(CNCCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSMKSLTXIAHKMI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)N2CCC(CNCCCc3c[nH]c4ccc(F)cc34)CC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTXILTZFHIDGB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCC(CNCCCc3c[nH]c4ccc(F)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRGMDHIIKCFCK-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(C(=O)N2CCC(CNCCCc3c[nH]c4ccc(F)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHYWFDCBRLSGSF-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(C(=O)N2CCC(CNCCCc3c[nH]c4ccc(F)cc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYUALCOARLYVAQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1C(=O)N1CCC(CNCCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPAOFJRZABPEGF-UHFFFAOYSA-N", "SMILES:CN(CCCc1c[nH]c2ccc(F)cc12)CC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGIPVLYGQJLPDQ-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1c[nH]c2ccc(F)cc12)CC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPVZPQVIHIFYGO-UHFFFAOYSA-N", "SMILES:Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBNOHKTIYSUDZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(OCCN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL147922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGEBYWBBEQTXJC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXRXQZUIADZMKF-YJFMNFHRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRNPGYPEHVEVCU-VEMJZKTMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJPGLRCZBQMRET-KLIJHDOQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRPOYUKEWPZZAU-OIINQCNKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVWILFPGCUQIR-UVNNSYGWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSKKFWFNLXTZGY-LCVOISBMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBRVKLRTMLVJN-INDKGIEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3cccc(C)c3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCITYMMGPLRDBD-INDKGIEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccc(C)cc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHKSEWUNNNMEEL-UVNNSYGWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPLXMICCWFFNAJ-UVNNSYGWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3cccnc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSGYTQYCETWUFS-PDMMKZSWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPBXKZFYSYCGY-LDWPKVHFSA-N", "SMILES:CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXFTNZLOBVBEB-AMDYARKXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWSMBFNZGVAYFC-INDKGIEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSVDRRTGTUFGD-HJXGUVRSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(C)C)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCZUSIPJRVDHKJ-OIINQCNKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSNLMPDPQVSDT-INDKGIEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVLSNQZGZNMHT-UVNNSYGWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPMXETQQNSPNEU-XTOFEHJJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQDZMOCCDNBMH-MUHDOTNVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIZZDCQTMNCNO-UVNNSYGWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCPNNVHHFYWXPV-OETMAGGDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNOWIANVQMHFJ-INDKGIEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWLPOCVWLSHRIY-INDKGIEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPZJISYOUJGNBU-INDKGIEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBNPSAUHPBBAAK-INDKGIEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMUEUNXLWQYJV-YNMKYOMQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ncccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQYOFJVNTXSCE-BGZGFNEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYGRFINVJYOLKZ-QSGCUPGWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXBYMHXPTRQQNM-RGHFUTQCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCCN2C(O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJIINYDGFTQFH-AMZDWXELSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQFRPRUPAJDQDT-NUGKFIJHSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKIHXWVVBVALK-INDKGIEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCEHDQPAELRETH-INDKGIEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCMXIFSVSJEAK-YNMKYOMQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ncccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADYCBSVAORYFH-IEKNRHRDSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IODQLCKSDFPSPP-HSHQBRGVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3COC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZCHEQCLHMGAA-QLQAUNQJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYKMMJIUQWNSED-QLQAUNQJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGTTYFDQPGMZKU-YHCKLZSLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVKUOBALZRIBS-HSHQBRGVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2COCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHJRNDXJSBCLW-GYHBVHSQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOELDLLOLMESNM-OBWZYNEFSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGADMMHLFKTDQ-NNDJLWKZSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLUBQHNGZBEFI-YHCKLZSLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGSPKZQKPEVCB-QKVRSOQVSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CC(O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRAQCXVXIKYWBU-QQQZONCPSA-N", "SMILES:CC[C@H](C)[C@@H]([C@H](CC(=O)N1CCCC1[C@@H](OC)[C@H](C)C(=O)N[C@@H](C)[C@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCC(=O)NCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](C)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]2CSCCC(=O)N3CN4CCC(=O)SC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C5C[C@@H](O)CN5C2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCCC2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2c[nH]c5ccccc25)C(=O)N[C@@H](Cc2c[nH]c5ccccc25)C(=O)NC(CCCCNC(=N)N)C(=O)N[C@H](C(N)=O)CSCCC(=O)N(C4)C3)C(C)C)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTZHFJSTROQMTE-YGKZXFNSSA-N", "SMILES:COC(=O)C[C@H]1[C@]2(C)C3=C(C)C(c4ccoc4-c4ccc(C(=O)NCCCNC(=O)C[C@@H]5N=C(c6ccc(Cl)cc6)c6c(sc(C)c6C)-n6c(C)nnc65)cc4)C[C@H]3C[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23"]}
{"name": "E3 ubiquitin-protein ligase RNF114", "xref": ["CHEMBL.TARGET:CHEMBL5169207"], "id": "UniProtKB:Q9Y508", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSNHXWDHQWRHU-GYVYFLFHSA-N", "SMILES:CC(=O)N1N=CC2C[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCC(=O)N6CCOCC6)[C@@]5(C)CC[C@@H]43)C(C)(C)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDZGHUAZCDSHGD-IGHZLOONSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)CCCCCCCCCCNC(=O)OC2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O)CC(=O)O4)[C@H]32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNABKJYXILSZIM-RLWBQCMDSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)CCCCCCCCCCNC(=O)OC2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC=O)[C@H]32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4530229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRRHEHIWXXJQQL-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NC(=O)CCCCCCCn4cc(COc5c(O)cc(O)c6c(=O)cc(-c7ccccc7)oc56)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCYQNSYQBCKOD-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cn(CCCCCF)c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHGVIPHMOTDCS-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXJYOUMYJGNQEY-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1cn(CCCCCF)c2ncccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSIESIOMOMQNH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c(N4CCOCC4)snc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKRFSUDBMLWUTP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c(N4CCOCC4)snc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTTBURFWFGLEBN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(N4CCOCC4)snc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYGVWWWPXVFCO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc3c(N4CCOCC4)snc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UASZZKXYGRZHPF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(N4CCOCC4)ncnc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOPCTJZOFIUIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c(N4CCOCC4)ncnc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSSSPADDLQHLO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c(N4CCOCC4)ncnc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFWTFGQYJINLL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c(-c4ccccc4)snc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKCHBVGHHUNIDT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c(c2)ncn3-c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SROJXRFDGZDDJC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZLJSFMEJNOLIT-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1c(-c2ccc3[nH]ccc3c2)ccn2c(CC3CC3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGLLUVESXGAPP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1c(-c2ccc(OCC3CC3)c(Cl)c2)ccn2c(CC3CC3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNXLFTIINHMUHI-UHFFFAOYSA-N", "SMILES:CCCCn1ccn2c(CN3CCC(c4ccccc4)CC3)c(C)nc2c1=O.CCCCn1ccn2c(CN3CCC(c4ccccc4)CC3)c(C)nc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMJFUKEVKSSGD-UHFFFAOYSA-N", "SMILES:CCCCn1ccn2c(-c3ccc4[nH]ccc4c3)c(C)nc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POCSGGBFKCSKPH-UHFFFAOYSA-N", "SMILES:CCCCn1ccn2c(-c3ccc(OCC4CC4)c(Cl)c3)c(C)nc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXHCZJMUFBSRY-UHFFFAOYSA-N", "SMILES:CCCCn1ccn2c(-c3ccc(OCC4CC4)c(Cl)c3)nnc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNNSKVJIUGGOOM-UHFFFAOYSA-N", "SMILES:CCCCn1cnn2c(-c3ccc(OCC4CC4)c(Cl)c3)cnc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTDHTYZCMMDIC-UHFFFAOYSA-N", "SMILES:CCCCn1ncn2c(-c3ccc(OCC4CC4)c(Cl)c3)cnc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQGZOXHTJUOFO-UHFFFAOYSA-N", "SMILES:CCCCn1cnc2c(-c3ccc(OCC4CC4)c(Cl)c3)cnn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHFGZSLSJQTGC-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1nn(-c2ccc(F)cc2)c(=O)c2cscc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPKEWKEPDKNGK-FIBWVYCGSA-N", "SMILES:O=C(NCCc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(O)cc2)[C@@H]1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXYKZYTXIEEOB-UHFFFAOYSA-N", "SMILES:CC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQLNMURVWFZTC-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVGPKQXQIQRVCT-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(CCC3CC3)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGYPXFSNPCKGX-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(O)(CCC3CC3)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAOACYBKKSTHLE-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(O)(CCC3CC3)c3ccccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOCZEQQKIIWUBU-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(O)(CCC3CC3)c3cccnc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXYKZQZIBBLLM-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(O)(CCC3CC3)c3ccncc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWMWYNGSALJGG-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(O)(CCC3CC3)c3ccccc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXMBQXWQIGCREG-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(O)(CCC3CC3)c3ccccn3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCHFZCHUEHQXSZ-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(O)(CCC3CC3)c3cccnc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHLLHZZJYJWRRD-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(O)(CCC3CC3)c3ccncc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFNNZJJOCPZCP-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWBAIGKQKRJGJ-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccn3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXMQDWOYOXVOQZ-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(N)(CCC3CC3)c3cccnc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGVFYPDLNPHKER-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(N)(CCC3CC3)c3ccncc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYONXWOUVYIBRU-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)(CCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBDDMFBNDOEVJT-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(N)(CCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYGHBBDYRMOWAC-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(N)(CCC3CC3)c3cccc(C(N)=O)c3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYAYDZPBNCJYMZ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(N)(CCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBKPNPCGNTAQN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(N)(CCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZQICPCUMLWHPZ-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(N)(CCC3CC3)c3ccc(C(N)=O)cc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWHGFSUUIEJQU-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(N)(CCC3CC3)c3ccc(C(N)=O)nc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIAJRDWJYITZRU-DFWYDOINSA-N", "SMILES:Cl.N[C@@H](CCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIAJRDWJYITZRU-AENDTGMFSA-N", "SMILES:Cl.N[C@H](CCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBISBMUZBNLAPG-SSDOTTSWSA-N", "SMILES:O=C(O)[C@@H](CCB(O)O)NCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPDWPAGBCOYKE-RXMQYKEDSA-N", "SMILES:NCCN[C@H](CCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLWBBGZQAJLAIH-SNVBAGLBSA-N", "SMILES:O=C(O)[C@@H](CCB(O)O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXGQJFPMOVCNKO-LLVKDONJSA-N", "SMILES:O=C(O)[C@@H](CCB(O)O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLXGCCKNCVRKQU-GFCCVEGCSA-N", "SMILES:O=C(O)[C@@H](CCB(O)O)NCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSTBFKRLLQFDTK-VXGBXAGGSA-N", "SMILES:N[C@@H](CN[C@H](CCB(O)O)C(=O)O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYUAJVDZMTAHX-PHDIDXHHSA-N", "SMILES:C[C@@H](N)CN[C@H](CCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGFWDOSHQNEJO-LLVKDONJSA-N", "SMILES:COc1ccc(CN[C@H](CCB(O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTBYKGJZLGTKEE-SNVBAGLBSA-N", "SMILES:O=C(O)c1cccc(CN[C@H](CCB(O)O)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVKKXMQFSBFGMT-MRXNPFEDSA-N", "SMILES:O=C(O)[C@@H](CCB(O)O)NCc1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSTBFKRLLQFDTK-NWDGAFQWSA-N", "SMILES:N[C@H](CN[C@H](CCB(O)O)C(=O)O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVQHYHDYFTPDV-VCABWLAWSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)/C=C/c1cnn(C/C=C/c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSFJMLQENUVKX-IRXDYDNUSA-N", "SMILES:C=COC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZWDOJCCQOOLPD-PDHYUIRDSA-N", "SMILES:CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVZGFCDFBOLGJ-ZKOPLKQWSA-N", "SMILES:CC(C)=CCC/C(C)=C/OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIJKBAGVHQWJM-WCLGHDHESA-N", "SMILES:C/C=C/OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXODXFJJDXTJGG-VYFKROBPSA-N", "SMILES:CCOC(=O)/C=C/OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZZKWBGFOOXKQF-QWRGUYRKSA-N", "SMILES:C=COC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOCLONDMRZZPTA-JZHLQLGQSA-N", "SMILES:NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRDLQTNCWFXSNK-YERQVDBCSA-N", "SMILES:CC(C)=CCC/C(C)=C/OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIGWMUZTZBIQO-LBWVYQGJSA-N", "SMILES:C/C=C/OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIGFVQZRSFAQAF-JTQLQIEISA-N", "SMILES:C=COC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTSIJPZJJERGQ-BYIUCRAPSA-N", "SMILES:CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(=O)O/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMMGQNJIXNJSMA-OANVXVOSSA-N", "SMILES:CCOC(=O)/C=C/OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQPITMZDGVENTL-ZETCQYMHSA-N", "SMILES:C=COC(=O)[C@@H]1CCCN1C(=O)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPBABKWEVBECJL-FROQITRMSA-N", "SMILES:NCC(=O)N1CCC[C@H]1C(=O)O/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXNXCDMAPBMFBL-IWGCBNPKSA-N", "SMILES:CCOC(=O)/C=C/OC(=O)[C@@H]1CCCN1C(=O)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKSHMMNPSXEPKW-PMACEKPBSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCWKCRJRWHTTG-HSJPWVCISA-N", "SMILES:COC(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3185489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFFMDFFZMYYVKS-UHFFFAOYSA-N", "SMILES:NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOORSUQEUBFDD-AREMUKBSSA-N", "SMILES:O=C1Nc2ccc(Br)cc2C(=O)N(Cc2ccccc2Sc2ccc(Cl)cc2)[C@@H]1Cc1ccccc1"]}
{"name": "Nuclear receptor subfamily 6 group A member 1", "xref": ["CHEMBL.TARGET:CHEMBL1961793"], "id": "UniProtKB:Q15406", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSTMIKVFFYUUDH-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1Oc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZTQLMMOVCEBFI-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLJEMGHMVOECK-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSTUVIILUWJSQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPWUYPGMPGMBQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYHCXRZBBQDRL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1Oc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXGVBQCYFQKID-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAJPTKHORNTZSQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFOOZUUVSMCZJX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSDNYWMZDXTSBT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(C)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKKGDXHCSDPKX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(Br)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYSAVLRLHGHIKG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(I)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYMUSWYTOBEJJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(O)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSEHYSQYWAECFH-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GURFQTGIRGVTAG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(OC(F)(F)F)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAKQWDAVBATSMP-UHFFFAOYSA-N", "SMILES:CCCOc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGRNKWDDSUVBEY-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFWITPUECGLNO-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(F)(F)Cl)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPQFNJFXGFRYKV-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(F)(F)C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUAVDCPEEDDMNR-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(F)(F)c2ccccc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANGPOJJDTUIZLT-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(Br)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLUFNMHOXXLNFY-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(S(C)(=O)=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMXYRYBRHREOC-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(S(=O)(=O)c2ccccc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOJWNXMPMGCISG-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C2CC2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNWIZFLBPGLXJL-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(-c2ccccc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODQFDJFYCHHMP-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMYLUIZSIXAUCD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ccc(F)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLUPQTKPKBLULM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCJXGGFYYWNBD-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccccc2C)cc1-n1c(=O)cc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUTZQUXYNGRJD-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGIPVFCNJAOQK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(Cl)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJPXPRFZIRZRMC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ccc(Cl)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZYDAVGIKGBAO-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1Oc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKRLZPXWNTYBD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c2ccccc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORZQWCVWJWOYDJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)c3ccccc3)[nH]c2=O)c2ccccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASHYUKDFGPMMGU-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(N)=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYIQCQZDXKGNU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccn2c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)c(-c3ccccn3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572210", "category": ["biolink:ChemicalEntity"], "name": "BAY-771", "xref": ["InChIKey:LZLNIHXKWZZQLE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1602552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFLUEQCOAQCQLP-UHFFFAOYSA-N", "SMILES:O=C(O)C(O)(c1ccccc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDGKGCHRNNCAC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c(Cl)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXCHVFCJZJATJ-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2cc(F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYECAJPUPWFCSL-UHFFFAOYSA-N", "SMILES:Nc1ccccc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDVAKBOBBYCLK-UHFFFAOYSA-N", "SMILES:COc1ccsc1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCJZSAIEMSFAV-UHFFFAOYSA-N", "SMILES:CSc1nc2ccc(N)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKKTOPRRGBBCT-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1csc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3187039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVLNPXCISNPHLE-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2ccccc2O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL190660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWZIOZTPNLTCR-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)C(O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRYZDZQFDRTHD-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFJHPBVOKVCLZ-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2ccc(N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVVFGRDMHDHNI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHPRQNPNGQGCK-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1555771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFDBWIUWIWHRK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2cccs2)csc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTXCUCIQNPLERA-UHFFFAOYSA-N", "SMILES:C#Cc1cc(C(=O)O)sc1SC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGXHRFPVDFQLNF-UHFFFAOYSA-N", "SMILES:NCc1ccc2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKUBYKUYUSRSM-UHFFFAOYSA-N", "SMILES:NCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINLHLGITRDWJY-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ccc(N)cn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1874593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLRDKFCFIJLYLT-UHFFFAOYSA-N", "SMILES:S=C(NCc1cccnc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQMGQZTBWIHDN-UHFFFAOYSA-N", "SMILES:Nc1ccc(F)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMVKUIFBCHQTHO-UHFFFAOYSA-N", "SMILES:NCC1OCCc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRROCNFTWSJBTJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2c1-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYXZHZSFYVUSA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cccc2c1-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1486504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABJOLLLERVOCAY-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cccc2c1-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1303660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMLORUUCUTYQCP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1cccc2C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWUDNOTYEKAERP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1cccc2C(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZYYRQXNPKCHIB-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBAQTWUIJBUGTC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c1cccc2C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWWMBDOGIDQQSS-UHFFFAOYSA-N", "SMILES:O=C(O)CN1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIDITRUNIYHCDR-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cccc2c1-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPASEIVAYFPAR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UORVPJCXAUFQSC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMIUGZBLDWZORY-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(Oc4ccccc4)cc3s2)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLIWKMUWNZCLC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQQTRLCOBKUPM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUFYNSQVBTXNX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(F)(F)F)cc3s2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQOTQDSVWZYIU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOKCYHBYVXTFFL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(OC)cc3s2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDEJSIDEOUEQOS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3c(Cl)cccc3s2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSVARCKTIUDULB-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3c(F)cc(F)cc3s2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHFDDUUFPIVGLL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3cc(C)c(C)cc3s2)C1c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZKXCKIEROQWEO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNAMWJUAWUDFFZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQGSPTNRSMTONG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPWKZSVQMXKMQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1ccc(OC)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRDDYVAETVSSX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBZPOMWJBSLLCT-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1ccc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFKCFLBCBOEIZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1ccc(-c2ccc(C(F)(F)F)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVSVEEIKMHXGGN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1cc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUVWQGHAJDZHT-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1ccccc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFPTUROJNQIKH-UHFFFAOYSA-N", "SMILES:Cc1cccc2sc(N3C(=O)C(O)=C(C(=O)OC(C)(C)C)C3c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCADJBUXCPMLMU-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)OCCO)C3c3ccc(-c4ccc(Cl)cc4)o3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPLDKBNROFEXMZ-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(O)C(=O)N(c2nc3ccc(C)cc3s2)C1c1ccc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKEHPAPOIOAUSS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)C1c1ccc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKXIHHLCHWSDOR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(O)C(=O)N(c2nc3c(OC)cccc3s2)C1c1ccc(-c2ccccc2)cc1"]}
{"name": "UDP-N-acetylenolpyruvoylglucosamine reductase", "xref": ["CHEMBL.TARGET:CHEMBL5526"], "id": "UniProtKB:P08373", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBKQDINTLRPUPJ-PWDIZTEBSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCN(CCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDWUBXLPCAHAQN-FOWTUZBSSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHCEAFBOXETLM-HEHNFIMWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCN(CCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGNXXNXXKALNJ-FOWTUZBSSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCN(CCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISKFBHCVCONJQR-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWXTMGDPZMJPC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCCCN(CCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCDSGFDIGZDBPP-HEHNFIMWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCN(CCCCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPHBAKNXPIONF-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCN(CCCCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYVIWYYRTHNCCO-UHFFFAOYSA-N", "SMILES:O=C(OCCCCCN(CCCOC(=O)c1c2ccccc2cc2ccccc12)CCCOc1ccc2ccc(=O)oc2c1)c1c2ccccc2cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMRJWAFXCJQKN-JIBZRZDWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCCN(CCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSNGJQWYZOVSFA-GHRIWEEISA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDSYUZYLYWFYSF-RELWKKBWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCCN(CCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHLLQFOPVCMGHN-GHRIWEEISA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCN(CCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPOLXYULUWSMW-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCCCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWGMXQLBHUZENX-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCCCCN(CCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMIFEJRHLBXZEU-RELWKKBWSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCN(CCCCCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNORGXWIRIDDOM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCN(CCCCCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJFMSHSLWODND-UHFFFAOYSA-N", "SMILES:O=C(OCCCCCCN(CCCOC(=O)c1c2ccccc2cc2ccccc12)CCCOc1ccc2ccc(=O)oc2c1)c1c2ccccc2cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABVUWMLYQDAOLU-PXXPDPNMSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCCCN(CCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIISCYNPOUBFU-NBVRZTHBSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAGJUCHTDFATOU-FCDQGJHFSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCCCCCN(CCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKOUTFEATUTII-NBVRZTHBSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCN(CCCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBYNJRJBRTEHC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCCCCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAMKGNYQDCQDKU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCCCCCN(CCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYZGTRQOHXEJA-FCDQGJHFSA-N", "SMILES:COc1cc(/C=C/C(=O)OCCCN(CCCCCCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYWBMSPXEMELIF-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCCCN(CCCCCCCOC(=O)c2c3ccccc3cc3ccccc23)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZXCXABUXCSBU-UHFFFAOYSA-N", "SMILES:O=C(OCCCCCCCN(CCCOC(=O)c1c2ccccc2cc2ccccc12)CCCOc1ccc2ccc(=O)oc2c1)c1c2ccccc2cc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJFTZERUUFKJAO-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(Cc1ccc(Br)cc1)c1nccc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CROHKCAOPCLRAC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(CN(CC(C)(C)C)c3nccc(C#N)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVEKAFPPBUQYEZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(Cc1ccc(-c2ccccc2)cc1)c1nccc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJAQYCVGGFQDRE-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(Cc1ccc2ccccc2c1)c1nccc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVKBRZCCZQDLSU-UHFFFAOYSA-N", "SMILES:N#Cc1ccnc(N(Cc2ccc(Br)cc2)CC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMIJCJBNDZEZCH-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(Cc1ccc(F)cc1)c1nccc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDYBJVPBFLSEL-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(Cc1ccc(Cl)cc1)c1nccc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBZOKGMNPNYMSM-UHFFFAOYSA-N", "SMILES:Cc1ncc(CN(CC(C)(C)C)c2nccc(C#N)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HITMCDHLYWYWQU-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(Cc1cc(Br)cs1)c1nccc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTGQCFBGNUZPE-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(Cc1ccc2ccccc2n1)c1nccc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSSKIDMWROBJIZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(Cc1ccc2cccnc2c1)c1nccc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOFXVFVMEMYVOS-UHFFFAOYSA-N", "SMILES:N#Cc1ccnc(N(Cc2ccc(Br)cc2)C2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJXGVGYKRUGBV-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(Cc1ccccc1)c1nccc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCMAXATZZZASEI-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(Cc1cccc(-c2ccccc2)c1)c1nccc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFCSVBQGHZQNKJ-HNNXBMFYSA-N", "SMILES:N#Cc1cccc(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISKRKKDXOVZCD-AWEZNQCLSA-N", "SMILES:NC(=O)c1cccc(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBZTVCVCZZWLK-INIZCTEOSA-N", "SMILES:CC(=O)c1cccc(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKQPIUHEMDBRH-NSHDSACASA-N", "SMILES:O=C(Nc1cccc(Br)n1)[C@@H]1CCCN1C(=O)Cn1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLUKBGQWALMZGO-LBPRGKRZSA-N", "SMILES:N#Cc1cnn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBAHBYCHRNGSHD-NSHDSACASA-N", "SMILES:NC(=O)c1cnn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNQHLEVIOKHIJY-ZDUSSCGKSA-N", "SMILES:C=C(N)c1ccn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCTXAGKHFBRPQ-HNNXBMFYSA-N", "SMILES:O=C(Nc1cccc(Br)n1)[C@@H]1CCCN1C(=O)Cn1ncc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZYZYRYMVEDJV-AWEZNQCLSA-N", "SMILES:NC(=O)c1nn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZFKVCKCYWZIBE-INIZCTEOSA-N", "SMILES:NC(=O)c1nn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)c2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZFSZRJILVDPV-HNNXBMFYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(O)c2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSUFRCAYBQLRE-KRWDZBQOSA-N", "SMILES:NC(=O)c1nn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(CO)c2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWDRIWQLPLVLAK-KRWDZBQOSA-N", "SMILES:NC(=O)c1nn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Cl)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPTOOTHRNRVMPP-INIZCTEOSA-N", "SMILES:NC(=O)c1nn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Cl)c2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNXBYALMVOPTMF-KRWDZBQOSA-N", "SMILES:NC(=O)c1nn(CC(=O)N2CCC[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTWOBRGDYRMMHJ-UHFFFAOYSA-N", "SMILES:CCCN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOESKHPJDCBLAZ-UHFFFAOYSA-N", "SMILES:CCN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBSJSHYEWYHKN-UHFFFAOYSA-N", "SMILES:CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVBWNPHKRAMSM-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)NCC(=O)NCc2cccc(Cl)c2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSFBSRFDKQTDRD-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CCCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACZRSGDYBOFBA-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBVPKAUZXITDR-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CCCO)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUVGZOFHFQLJM-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CCO)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUTIUXAIJIJYGQ-UHFFFAOYSA-N", "SMILES:CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCRMCHSDFBNDLX-UHFFFAOYSA-N", "SMILES:CC(C)(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYBTZMVOZKEFF-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVSQDVEIWRGRJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYLGUMLPCYRSFA-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGMDRUIFWSULY-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBXBYJPJEMMPRZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCCCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFNWWPMQLFBDW-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQWATBDGYYSLT-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZYYAEZVIBNWRH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUSJSSLVMBWWCF-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHJFSYZOAJNSW-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(C(=O)O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOQIJAROUNQLT-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(CO)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVFKAYIISKAWHC-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDFWQTZENXBWRT-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCRNTENIQWCMOY-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTCSHVRSPDVNF-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQRPTTXPKFDPA-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYHAAHBTSBLRX-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)Nc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBJJJLBIQQMABQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MELJYNUKCBXZHQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)Nc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMUHNHWGUVQZSH-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)NC3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHNLFMKNBJQZNY-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCN(C4CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQIHGYSIRUYPP-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCN(Cc4ccc(F)cc4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPNFHQFTQMSEP-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)Nc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOERATAUJMEIFL-UHFFFAOYSA-N", "SMILES:CN1CCC(N(C)C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SADJFWICUUZDLY-IBGZPJMESA-N", "SMILES:COC(=O)c1ccc(C)c(CNC(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCVWXAGCYCOIQ-SFHVURJKSA-N", "SMILES:COC(=O)c1ccccc1CNC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3678914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAALCKJNOOFODD-SKNMWMDOSA-N", "SMILES:C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc21)c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3683753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZUTHDJLNZLCM-DFBGVHRSSA-N", "SMILES:NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPWMAVPFRUEGK-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2c[nH]c3ccc(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHHIDWWAQIGOHL-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3ccc(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGVSBPZYBZZKX-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cnn3ccc(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWANDVUDGQKWIV-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)Nc2cc(NCCOC)c(C#N)cn2)c2nc(C=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENQMPULOCFARJ-UHFFFAOYSA-N", "SMILES:CCCn1cc(C(=O)Nc2cc(NCCOC)c(C#N)cn2)c2nc(C=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMVXKHQGWKULA-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(CC(C)C)c3ccc(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLYCCHBSSYFWCH-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(CC3CC3)c3ccc(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGSWIRKFXBPUEY-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C3CCCC3)c3ccc(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTWXCBAUNTZDRN-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(CCOC)c3ccc(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGNJEQYHWVYBAK-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c3ccc(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXZVQAWBCVCCOI-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(NC(=O)c2cn(C)c3ccc(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYUIXLZWYDQBDP-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)Nc2cc(NCCN3CCOCC3)c(C#N)cn2)c2nc(C=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDXHKJJXMNLPX-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNc2cc(NC(=O)c3cn(C)c4ccc(C=O)nc34)ncc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKXNHRMKLNQUEM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(NC(=O)c2cn(C)c3ccc(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANADUTKZNGPTEL-UHFFFAOYSA-N", "SMILES:COCCNc1ccnc(NC(=O)c2cn(C)c3ccc(C=O)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFFSKODPZSCMF-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3ccc(C=O)nc23)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFSUBLMYPKPVPR-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3ccc(C=O)nc23)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALSUHOXMJVJCK-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3cc(CN4CCN(C)CC4)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTAJIUHHCUXXNI-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUIZFGCDUKJHJ-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3cc(Br)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNGUXMMZSCMHDU-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNZFMLLGPWAMU-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNEOFQSEYLTNNA-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPOJFLYFUAKKO-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTHLBIVCFZMSN-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZXQBNAWSMHFF-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZXQBNAWSMHFF-MRXNPFEDSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZXQBNAWSMHFF-INIZCTEOSA-N", "SMILES:C[C@H](Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVNSWAJQMADCRI-QGZVFWFLSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)c2cn(CCN3CCN(C)CC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICZVIYFMGFZHX-HXUWFJFHSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)c2cn(CCN3CCC(N4CCOCC4)CC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZKZJASJVNSLSZ-OAHLLOKOSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)c2cn(CCc3cnn(C)c3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCXDJJEKMKGDD-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDSQPPGCOANAC-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEWXPRNYSRHBR-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSSSSZLFDAGNFK-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRZVKUWAJJBOA-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYGALWXJCZPTN-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHIWGBBDYYOLLT-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFFSDANQNWAIV-UHFFFAOYSA-N", "SMILES:Cc1ncc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFAAWYWTRHHKI-UHFFFAOYSA-N", "SMILES:Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URNJZHRKLMEWAY-UHFFFAOYSA-N", "SMILES:Cn1nccc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSVBWSJFJSSLAK-UHFFFAOYSA-N", "SMILES:Cn1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTDXAYUIRSDDZ-UHFFFAOYSA-N", "SMILES:Cn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMOHJPMOVXUFL-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNLNTUQICFMLF-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGUIUUQWFRIUMQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219660", "category": ["biolink:ChemicalEntity"], "name": "JT-001", "xref": ["InChIKey:KWSGPJCQWZMUQM-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCCC2"], "synonym": ["Jt-001", "Jt001"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYACBQJFQUPTP-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTMFTQOSIRXHO-UHFFFAOYSA-N", "SMILES:CN1CCn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRARVKETDZHBS-AWEZNQCLSA-N", "SMILES:CN[C@@H]1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRARVKETDZHBS-CQSZACIVSA-N", "SMILES:CN[C@H]1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZVZTLJBBDWBR-HNNXBMFYSA-N", "SMILES:CN(C)[C@@H]1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYGORWHFDBOYDY-INIZCTEOSA-N", "SMILES:COC1CN([C@@H]2COc3c(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cnn3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUMMRJKZUHCTH-UHFFFAOYSA-N", "SMILES:CN(C)CC1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKGMARHPWOGRO-CPFIQGLUSA-N", "SMILES:C[C@H](C(=O)OC(Cn1ccnc1)c1ccc(F)cc1)c1ccc(-c2ccccc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWRFFTYPAHLAB-CQHAJPFMSA-N", "SMILES:C[C@H](C(=O)N(C)CC(O)(Cn1ccnc1)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQACUMKCYNEBR-OORIHMLWSA-N", "SMILES:C[C@H](C(=O)N(C)CC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLJROGYILDQEE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-c3cnn(C)c3)cc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLAUUZXTXGLWHW-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4cc(-c5cccnc5)ccn4)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWCDRUFFVRXLR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-c3ccnn3C)cc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPJMPRHPVKUSA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-c3c(C)noc3C)cc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZBCNGWZPMUXTH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)c3ccc(C)c(Nc4cc(-c5cccnc5)ccn4)c3)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCFMEPMGHRUBY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPGDQBGTGSJTOD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHMWBUUXCZBDM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-c3cnn(C)c3)cc(C3CC3)c2)cc1Nc1cc(-c2cccnc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBRTZEQTUJNTHM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(-n3cncc3C)c(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZTAXKXMCLJPQN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDTQTLQWSLEHDD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-c3cnn(C)c3)cc(C(F)(F)F)c2)cc1Nc1cc(-c2cncnc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZSYBIBZJQZKSQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cncnc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGXNHRKHTSWBQJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-c3cnn(C)c3)cc(C(F)(F)F)c2)cc1Nc1cc(-c2ccc(F)nc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSLJVRIBLKYRF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2ccc(F)nc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINRCZOBLWPKRQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc(Nc3cc(C(=O)Nc4cc(-c5cnn(C)c5)cc(C(F)(F)F)c4)ccc3C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDIKSLGSLCQIOY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc(Nc3cc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)ccc3C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHSXCUHPKCZGE-UHFFFAOYSA-N", "SMILES:CNc1cc(C)c(C(N)=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGRXLZVOMIRKM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2c(c1)CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVJNPRRTTWWBGF-UHFFFAOYSA-N", "SMILES:Cc1c(C(N)=O)cnc2c1CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSOOTSSADFLOU-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2c(c1Cl)CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLBSXLCCTVSVBK-RXMQYKEDSA-N", "SMILES:C[C@@H]1Cc2cc(C(N)=O)cnc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRQYBYFESUCROQ-RXMQYKEDSA-N", "SMILES:Cc1c(C(N)=O)cnc2c1C[C@@H](C)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOSBZPWKFAZMLN-PHDIDXHHSA-N", "SMILES:C[C@H]1Nc2ncc(C(N)=O)cc2[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDWPOVNHZLSOTE-UHFFFAOYSA-N", "SMILES:CNc1ccc(C(N)=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNOVMVKLXQQQQ-UHFFFAOYSA-N", "SMILES:CNc1cc(Cl)c(C(N)=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHLLCNVISLDJFC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2c(c1)CCCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHAKQQCWDPZCDX-UHFFFAOYSA-N", "SMILES:Cc1c(C(N)=O)c[n+]([O-])c2c1CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGOUBIUJAQRZTF-SCSAIBSYSA-N", "SMILES:C[C@@H]1Cc2c(ncc(C(N)=O)c2Cl)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOYAYWJYWNUUKN-ZCFIWIBFSA-O", "SMILES:C[C@@H]1Cc2cc(C(N)=O)c[n+](C)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANGIXHAOGTFIH-UHFFFAOYSA-N", "SMILES:CC1(C)CCCc2sc(N)c(C#N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIFCOJODMRSVKQ-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)sc2c1C(C(=O)Nc1ccccc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHWAUGLSPAYFGU-UHFFFAOYSA-N", "SMILES:CC1(C(=O)Nc2ccccc2)CCCc2sc(N)c(C#N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IITRDERXWQUMAG-UHFFFAOYSA-N", "SMILES:CC1(C(=O)O)CCCc2sc(N)c(C#N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCPSWBLKCBIXGB-UHFFFAOYSA-N", "SMILES:Cc1noc(C2(C)CCCc3sc(N)c(C#N)c32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYSTCZFARVMKT-SFHVURJKSA-N", "SMILES:C[C@]1(c2nc(-c3ccc(N)cc3)no2)CCCc2sc(N)c(C#N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMTVGHSNGHSIG-SFHVURJKSA-N", "SMILES:C[C@]1(c2nc(-c3cccc(N)c3)no2)CCCc2sc(N)c(C#N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMFOJUFMRCWJJ-NRFANRHFSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2noc([C@@]3(C)CCCc4sc(N)c(C#N)c43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHLLWQYOFFWRI-NRFANRHFSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2noc([C@@]3(C)CCCc4sc(N)c(C#N)c43)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLFSLNPEJCKHQ-VWLOTQADSA-N", "SMILES:C=CC(=O)N1CCN(c2cccc(-c3noc([C@@]4(C)CCCc5sc(N)c(C#N)c54)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAMBYUZKWQCKJ-ADSBAMQRSA-N", "SMILES:C=CC(=O)N1CCN(c2cc(-c3noc([C@@]4(C)CCCc5sc(N)c(C#N)c54)n3)nc(N3CCN(C)C[C@@H]3C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADIGYFECVSLSP-OAQYLSRUSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFBDBPJJUOVIJ-OAQYLSRUSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(c3ccccc3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQKHUZHQTMMBNU-OAQYLSRUSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHVYWZIMVZPTE-HXUWFJFHSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTQKMVKIHFXLAU-JOCHJYFZSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVULTUSISFWHJ-LJQANCHMSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGPJCMNHQINPG-HXUWFJFHSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CCN2C(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXBPOEXHSDSELG-JOCHJYFZSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGLLUDVOHKEEAB-HXUWFJFHSA-N", "SMILES:O=C(Nc1ccc(O)cc1)[C@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAACOQNCBTSSZ-OAQYLSRUSA-N", "SMILES:CNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIXAAWQCOATRS-OAQYLSRUSA-N", "SMILES:CNC(=O)c1cccc(NC(=O)[C@H]2CCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDFIVACIJOZEH-OAQYLSRUSA-N", "SMILES:O=C1Cc2cc(NC(=O)[C@H]3CCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEMLMPADWOFPRW-HXUWFJFHSA-N", "SMILES:O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWHBBPDNLLPPX-OAQYLSRUSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXKALXQYNBJIQ-HXUWFJFHSA-N", "SMILES:O=C(Nc1ccc2[nH]nnc2c1)[C@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMSTWVFLDSJGR-LJQANCHMSA-N", "SMILES:COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIFMZENSFYUYPH-LJQANCHMSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2n1)[C@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAXQFMWVZJPWSR-LJQANCHMSA-N", "SMILES:O=C(Nc1cnc2[nH]ncc2c1)[C@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMFYEMMYNRHSJ-HXUWFJFHSA-N", "SMILES:O=C(Nc1ccc2[nH]ccc2n1)[C@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRLAKYCCWZLLY-GOSISDBHSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2n1)[C@H]1CCCN1C(=O)C1(c2ccc(Cl)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLSIJSSCBSRUNF-GOSISDBHSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2n1)[C@H]1CCCN1C(=O)C1(c2ccc(F)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHJIVVYJHGWTJ-LJQANCHMSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XABRYFHVZCVAPG-LJQANCHMSA-N", "SMILES:N#Cc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXRVLSADZXFLV-QGZVFWFLSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2n1)[C@H]1CCCN1C(=O)C1(c2ccc(Cl)cc2)CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDVXRQBLRRNJD-CRAIPNDOSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2n1)[C@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(Cl)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWMDIJGVLFEWKQ-RHSMWYFYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2n1)[C@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(Cl)cc2)CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1700017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCHMKRLQSFONS-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CN(C)C(=O)C2(c3ccccc3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSCOWJURPRAGR-JOCHJYFZSA-N", "SMILES:CNC(=O)c1cccc(CNC(=O)[C@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGGHNJHXFQDHHJ-QGZVFWFLSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2n1)[C@H]1COCCN1C(=O)C1(c2ccc(Cl)cc2)CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1488523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDEDTAFRAQLAGJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMFCVCWCJHKXBS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJVZXZOOTDJURM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCC(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUGOWOVMYCONBC-UHFFFAOYSA-N", "SMILES:CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXGLJBBXLEPOJ-UHFFFAOYSA-N", "SMILES:COC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDRHNSNZVSTXGX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccccc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIRUJQUCHWFLMY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccc(Cl)cc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEULQZYFDHQTC-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXKAITFGSUASPC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGNAMBNNDCNFZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBCJBKOOJBXQGF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccccn3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCIDPAXSCFUAI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3cccnc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOCINWQVHALRD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccncc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPQFLCEGSDUHA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMLNVXHRWXJURK-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCURVRHRKQEDF-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLILJPNLNPNCKD-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPTCIRZAQUVPQI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHPFJZVQBSOIS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRHGMMSIJNTDNR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccc(N4CCOCC4)nc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVKOBFHPMUYRY-UHFFFAOYSA-N", "SMILES:Cl.Nc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEUBXBRCHXSNJG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3cncnc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRILHAMYTBQGSE-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHXWVRNYAMANQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccc4ncccc4c3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJFKVGSYYLSLKI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccc4cnccc4c3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFJFBRZCGXOIEP-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPWRVGMZDPNJF-UHFFFAOYSA-N", "SMILES:COc1nccc2cc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRKWWKXZPCXTL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccc4[nH]c(=O)ccc4c3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCLZEYNUSOGYSP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccc4c(=O)[nH]ccc4c3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URHPFANOQLIROT-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUCPSQNYZKOCPP-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1ccc2cc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNAMDWCZPPKAQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccc4nc(Cl)ccc4c3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLSQTYQLHJROB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3ccc4[nH]ncc4c3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYZEHVIBRFIHL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ncc(-c3nccs3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVHEDZEUSAFOF-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1cnc2ccc(C(=O)N3CCCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL136800", "category": ["biolink:ChemicalEntity"], "name": "CX516", "xref": ["InChIKey:ANDGGVOPIJEHOF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2nccnc2c1)N1CCCCC1"], "synonym": ["Ampalex", "Cx516", "BDP 12", "BDP-12", "CX 516", "CX-516"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5221101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTHDCLLFUXPSOA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(=O)[nH]c(-c3ccccc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVDKFQCNFKARCF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cnc(-c3ccccc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCDBQQVDXHCGGT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(-c3cccnc3)nc(-c3ccccc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZHIQIYXPMRLG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(-c3ccncc3)nc(-c3ccccc3)nc2c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCYAYKSMOVLVRL-UHFFFAOYSA-N", "SMILES:CCCC[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKECYICDPZLBOG-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSUNCHHBBQGKQ-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccccc2Cl)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIVFACOQQPECQU-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn(C(F)(F)F)cc2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZDHQGVQLLQXHP-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn3ccccc3c2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTLYHOWMXKECRF-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(-c2nc3ccccn3c2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXIUSBDLRXLRM-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2cccc(Cl)c2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRIMXZDWIDSMSG-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccc(Cl)cc2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICNOSVBYCAGKS-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUGGTKIGCZJJN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCXYAYXEBYWGI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYWBCMQVIQTKRU-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMTYFZDRIYFTR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QALNWORRHDRXIW-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccccc2Oc2ccccc2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPFWDKIFNVOIF-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccccc2OCCN2CCOCC2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRVKOWIVZXOIHT-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccccc2OCCN2CC3CC(C2)O3)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCAQZKORNBZGSL-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccccc2OCCN2CC3(COC3)C2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHVCRPGFEZENTM-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccccc2OCCN2CCNC(=O)C2)c(-c2cc(Cl)nc(N)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLESCEAYXHASOL-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCCN2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIIRCSQUJPUWPZ-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCC(=O)N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWXPBEVQULPVTM-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCCN2CCNC(=O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMBRYEUXWVHUEM-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCCN2CCS(=O)(=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJPAEGXEIKXMR-UHFFFAOYSA-N", "SMILES:CC1(O)CCN(CCOc2ccccc2Cc2cn(C(F)F)nc2-c2cc(Cl)nc(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHTFJTUBYAPEAW-KRWDZBQOSA-N", "SMILES:COC(=O)[C@@H]1COCCN1CCOc1ccccc1Cc1cn(C(F)F)nc1-c1cc(Cl)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHTFJTUBYAPEAW-QGZVFWFLSA-N", "SMILES:COC(=O)[C@H]1COCCN1CCOc1ccccc1Cc1cn(C(F)F)nc1-c1cc(Cl)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYPLPIGBQTXRY-MRXNPFEDSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCCN2CCO[C@@H](CO)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYPLPIGBQTXRY-INIZCTEOSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCCN2CCO[C@H](CO)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGSKZXXLKUEIO-INIZCTEOSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCCN2CCOC[C@@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGSKZXXLKUEIO-MRXNPFEDSA-N", "SMILES:Nc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCCN2CCOC[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHJLLWSYCKSASB-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(-c2n[nH]cc2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGDTLCCYHLRED-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1"]}
{"name": "Adenylate cyclase type 10", "xref": ["CHEMBL.TARGET:CHEMBL5169208"], "id": "UniProtKB:Q9Z286", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNBSBSFGIKHBLT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CC(=O)N(C)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIOZLEANHAFFJH-VIFPVBQESA-N", "SMILES:COc1cc2c(cc1OC)[C@H](C)C(=O)N(C)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIOZLEANHAFFJH-SECBINFHSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H](C)C(=O)N(C)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PREGEFBQCOFCDI-VIFPVBQESA-N", "SMILES:COc1cc2c(cc1OC)[C@H](C)C(=O)N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PREGEFBQCOFCDI-SECBINFHSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H](C)C(=O)N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSRQSFSJQWPTEK-SECBINFHSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJBXFGNDRQGRMA-SECBINFHSA-N", "SMILES:COc1ccc2c(c1)C=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJSKLWZFAJKEW-SNVBAGLBSA-N", "SMILES:CCc1ccc2c(c1)C=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGMCFONAUWPPY-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)C=CN(C)C(=O)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKOANAYYQJZOOC-LLVKDONJSA-N", "SMILES:COCCOc1ccc2c(c1)C=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRUMFNZRLZZAE-UHFFFAOYSA-N", "SMILES:CC1C(=O)N(C)C=Cc2cc(OCC(C)(C)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APYLADTZAHZDAA-SNVBAGLBSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(OC(CO)CO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXWPECAQBZLMMU-CYBMUJFWSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(CC3CCOCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQPSHYOYRLSCD-CYBMUJFWSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(CN3CCOCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWXHPCCGJFRKO-CYBMUJFWSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(CN3CCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBRWJGKEHZJNCP-SNVBAGLBSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(CCO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEEBZTMCSPGMEX-SNVBAGLBSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(C(CO)CO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMPKXTKTDWYWPO-CGCSKFHYSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(C(O)CO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIIOBZVJZOTLTE-SNVBAGLBSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)C=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIMPAXJFAVERQ-LLVKDONJSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)C(C)=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTJOYPSFVDTSJA-SECBINFHSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)C(C(N)=O)=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBTCRCBTVIWZKY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)C(c1ccccc1)=CN(C)C(=O)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQEZEDBEWDLLMS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)C(c1ccncc1)=CN(C)C(=O)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLPEIDBEOKJJP-GFCCVEGCSA-N", "SMILES:CCS(=O)(=O)c1ccc2c(c1)C(c1cnn(C)c1)=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYAYEFOQKNFTPU-GFCCVEGCSA-N", "SMILES:CCOc1ccc2c(c1)C(c1cnn(C)c1)=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBGMNYXQTDAOTN-LLVKDONJSA-N", "SMILES:CCOc1ccc2c(c1)C(c1cn[nH]c1)=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGZRMSDKXOUGQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)C(c1cc[nH]n1)=CN(C)C(=O)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPQMWXVHZTOMY-LLVKDONJSA-N", "SMILES:CCOc1ccc2c(c1)C(c1c[nH]cn1)=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMLOQKKXSCDOQ-LLVKDONJSA-N", "SMILES:CCOc1ccc2c(c1)C(c1c[nH]c(C)n1)=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJZVZCJWTFBXDP-GFCCVEGCSA-N", "SMILES:CCOc1ccc2c(c1)C(c1cn(C)cn1)=CN(C)C(=O)[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORICVYLJDLAUSB-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)C(n1ccnc1)=CN(C)C(=O)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDAWZZJIIHLSL-QLJPJBMISA-N", "SMILES:C[C@H]1C(=O)N(C)C=C(c2cn[nH]c2)c2cc([C@H](O)CO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDAWZZJIIHLSL-HWPZZCPQSA-N", "SMILES:C[C@H]1C(=O)N(C)C=C(c2cn[nH]c2)c2cc([C@@H](O)CO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJVJSGBELMMESS-PIGZYNQJSA-N", "SMILES:C[C@H]1C(=O)N(C)C=C(c2cnn(C)c2)c2cc([C@H](O)CO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJVJSGBELMMESS-DIFFPNOSSA-N", "SMILES:C[C@H]1C(=O)N(C)C=C(c2cnn(C)c2)c2cc([C@@H](O)CO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKHAONFZTKWYFI-LLVKDONJSA-N", "SMILES:Cc1nc(C2=CN(C)C(=O)[C@H](C)c3ccc(OCCO)cc32)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYCKSUJUPLGRF-GFCCVEGCSA-N", "SMILES:C[C@H]1C(=O)N(C)C=C(c2cnn(C)c2)c2cc(C(CO)CO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1828979", "category": ["biolink:ChemicalEntity"], "name": "3,5-DIMETHYL-4-PHENYLISOXAZOLE", "xref": ["InChIKey:BHAXDAUULXCVEK-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1399327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRWLNRQGJSQRAF-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCUFFWVFUSXTSP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOXXPDYGCCHJN-FSPHWQEPSA-N", "SMILES:COc1ccc2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(CO)c(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHEQKTSMCOMSRG-FSPHWQEPSA-N", "SMILES:COc1ccc2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(C)c(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQCHGJKVGQERM-IIESPVIWSA-N", "SMILES:COc1ccc2c(c1O)C(=O)c1cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(C)c(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FATNCJZCOOPLKZ-YJWXBJJPSA-N", "SMILES:Cc1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1ccc(O)c(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5219421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOATWYFZZHUFKL-IIESPVIWSA-N", "SMILES:COc1ccc2c(c1O)C(=O)c1cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(CO)c(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNXKGEAKFPHQBB-YCFXWCHASA-N", "SMILES:COc1ccc2c(c1)C(=O)c1cc(O)c(CO[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPYJBMSCFWZBRZ-PTKNJCLRSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(O)c(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTMAXIKQMRKLOV-UACIBIBWSA-N", "SMILES:COc1ccc2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(CO)c(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQSXWNEEDEFHO-NVSPSDSVSA-N", "SMILES:COc1ccc2c(c1O)C(=O)c1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(CO)c(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MICKPSHQKPCYJH-WFLOGZPDSA-N", "SMILES:Cc1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1ccccc1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5220938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEFZICGRGZBDD-PTKNJCLRSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5218977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFOPDKYJQYRCZ-MFQZQTJMSA-N", "SMILES:COC(=O)[C@@]1(C(=O)C(C)=O)C(C)=C(C)C=C2[C@]34CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@H](C[C@@]21C)OC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5221066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWCFPSYFZNKJJ-WLJUYSIOSA-N", "SMILES:COC(=O)[C@@]12C(=O)C(=O)O[C@@]3(C=C1C)[C@]2(C)C[C@@H]1OC(=O)[C@]32CC[C@H](OC(C)=O)C(C)(C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUOQRFJKUAAOQC-FDHYQUGASA-N", "SMILES:COC(=O)[C@H]1C(=O)O[C@]2(/C=C(\\C)C(C)=O)[C@]34CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@H](C[C@]12C)OC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5219093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJBZWVDHHJBMHH-IMCZMANMSA-N", "SMILES:C=C1C=C2[C@]34CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@H](C[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@](C)(O)C(=O)[C@]12C)OC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5220150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALMOKVINHMHFN-OGHRFRAUSA-N", "SMILES:C=C(C)CC[C@@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4520920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTNVBQRLRYVCO-OGHRFRAUSA-N", "SMILES:CC(C)=CC[C@@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5219536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSPJOAEPRYOBU-UHFFFAOYSA-N", "SMILES:COc1cccc2ccc(-c3cc(-c4ccc5cccc(OC)c5c4O)c4cccc(OC)c4c3O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5220260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAFEAWABQVDLG-UHFFFAOYSA-N", "SMILES:COc1cccc2ccc(-c3ccc(O)c4c(OC)cccc34)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1088977", "category": ["biolink:ChemicalEntity"], "name": "ADEMETIONINE", "xref": ["InChIKey:MEFKEPWMEQBLKI-AIRLBKTGSA-N", "SMILES:C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"], "synonym": ["Ademetionine", "Ademetionine", "Ademetionine", "Ademetionina", "S-adenosylmethionine", "Ademetionine", "Adenosylmethionine", "Adomet", "S-adenosyl-l-methionine", "Transmetil", "MSI-195", "SAM-E", "SAME", "Moodplus", "Samyr 200"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMNPAUTCMBOMO-UHFFFAOYSA-N", "SMILES:Clc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJYMDZGWIIUMJV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHLMQTYQFZMJLT-SMPGCZBJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc2ccc(cc2)OCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSAKNEQOIGSEFP-RASBGUIFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc2ccc(cc2)OCCSC[C@@H](C(=O)NCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3695457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYIHRMGNQOGLPJ-DHDCSXOGSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3I)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477197", "category": ["biolink:ChemicalEntity"], "name": "HEMATOXYLIN", "xref": ["InChIKey:WZUVPPKBWHMQCE-XJKSGUPXSA-N", "SMILES:Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4128703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STAFOGVMELKGRI-UHFFFAOYSA-N", "SMILES:CC1=C(CSC(=S)N2CCCCC2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL126142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSHVYAFMTMFKBA-FPOVZHCZSA-N", "SMILES:O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL80941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFTAWBLQPZVEMU-AWKYBWMHSA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C(O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL25080", "category": ["biolink:ChemicalEntity"], "name": "DL-PHENYLALANINE", "xref": ["InChIKey:COLNVLDHVKWLRT-UHFFFAOYSA-N", "SMILES:NC(Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIUJYADTHSESKZ-OFUOZZSGSA-N", "SMILES:CCCCCN1/C(=C\\C=C\\C2N(CCCC)c3cc(Cl)c(Cl)cc3N2CCCCC)N(CCCC)c2cc(Cl)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2111113", "category": ["biolink:ChemicalEntity"], "name": "FOSFRUCTOSE", "xref": ["InChIKey:RNBGYGVWRKECFJ-VRPWFDPXSA-N", "SMILES:O=P(O)(O)OC[C@H]1OC(O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O"], "synonym": ["Fosfructose", "Fosfructosa"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3335791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIZXEVJWJRNLB-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJAFOWISVMOJY-ZBVJJQAHSA-N", "SMILES:C=C1C(=O)O[C@H]2C1CCC(C)=C1CC[C@@](C)(O)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWPIZLOXKPAPCU-BIJYBYESSA-N", "SMILES:C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(/C(=O)OCCOCCOC(=O)/C3=C/CC[C@@]4(C)O[C@@H]4[C@H]4OC(=O)C(=C)[C@@H]4CC3)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPBPUWJPKOCSNX-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)n[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GASMZUDGPKMAEI-UHFFFAOYSA-N", "SMILES:Nc1cccc(F)c1CN(CCC1CCS(=O)(=O)CC1)C(=O)c1cc(C(F)(F)F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQUKSHZPHJYWNM-UHFFFAOYSA-N", "SMILES:O=C(CCSC(=S)NCc1cccnc1)c1c[nH]c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORSMLRHZLRFBN-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)c2cccc(Cl)c2Cl)cc1C(=O)NCCNC(=O)c1cc(C(=O)c2cccc(Cl)c2Cl)cn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109341", "category": ["biolink:ChemicalEntity"], "name": "SINAPINATE", "xref": ["InChIKey:PCMORTLOPMLEFB-ONEGZZNKSA-N", "SMILES:COc1cc(/C=C/C(=O)O)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFZRVBRUBSSGS-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(C2(O)CSC(=S)N2Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MORBXZMIXGYQDB-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ncc3c4sc([S+](C)[O-])cc4n(C)c3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3661355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POEWFBSYPFIYSK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNC(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2046866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYSXJSJXZFODY-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZXCZMQQSAQBU-UHFFFAOYSA-N", "SMILES:COC(=O)C1=CNC(C)=C(C(=O)OC)C1c1cccc(N/C(=N/C#N)NCCCN2CCC(c3cccc(OC)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJONTMHVHWZZQR-UHFFFAOYSA-N", "SMILES:COC(=O)C1=CNC(C)=C(C(=O)OC)C1c1cccc(Nc2nnc(CN3CCC(c4cccc(OC)c4)CC3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFMXASBYTCQRHY-UHFFFAOYSA-N", "SMILES:COC(=O)C1=CNC(C)=C(C(=O)OC)C1c1cccc(Nc2c(NCCCN3CCC(c4cccc(OC)c4)CC3)c(=O)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJNRJTAYSRLEJD-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBJOZYEGIDUBV-XWGVYQGASA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccn([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMHLYLKSEJADBP-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXVEBPEZMSPHB-UHFFFAOYSA-N", "SMILES:CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIZZPHMUHOCVEN-UZXAIGFNSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(/C=C(\\C#N)C(=O)NC2CC2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABABZXRMQLDWSA-RYUDHWBXSA-N", "SMILES:N=C(N)NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYGLTFDOKHPCQ-VNIGXCIGSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3344321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWKCLMWSCHVRNJ-BTDFZRAWSA-N", "SMILES:N=C(N)N[C@H]1CC[C@H](CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSPDUESCUCXBJJ-FHWLQOOXSA-N", "SMILES:N=C(N)N[C@H]1CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCNC(=O)CNC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQICFDBMQBCJDT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVXKEWOQELXFTO-UHFFFAOYSA-N", "SMILES:Cc1cc(CSC(=N)N)c(C)cc1CSC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCATUZFJEZFAFG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Oc2ccccc2)c1)c1[nH]c(=O)c2ccccc2c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXUFDDJPFZICO-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(OCc2cn(Cc3ccccc3Br)nn2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPSPYXUDFERHU-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)-c1c(=O)[n-]c(SCc3ccccc3)n[n+]1C(c1ccc(Cl)cc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODKGWMISMMYGY-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(-c5ccccc5)[nH]4)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3344319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNNONJZCEWUIHC-UHFFFAOYSA-N", "SMILES:CCCSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGDGZMOKXTUMEV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2nsnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGQBWWZEXATRFR-UHFFFAOYSA-N", "SMILES:Clc1cc(OCc2nnc3sc(Cc4ccccc4)nn23)c(Cl)cc1OCc1nnc2sc(Cc3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBEALMGULHSFTL-CYBMUJFWSA-N", "SMILES:N#Cc1cccc(-n2cnc(C(=O)NC[C@H]3CCN(C#N)C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKVJMRQLHZSEP-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3cnn(C)c3)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJXVBKVOKMVLPO-UHFFFAOYSA-J", "SMILES:CCCc1cc(C(CC)c2cc(C(CC)c3cc(C(CC)c4ccc(O)c(CS(=O)(=O)[O-])c4O)c(O)c(CS(=O)(=O)[O-])c3O)c(O)c(CS(=O)(=O)[O-])c2O)c(O)c(CS(=O)(=O)[O-])c1O.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGDOPKQEDPEDEJ-UHFFFAOYSA-J", "SMILES:O=S(=O)([O-])CCCc1cc(C(CCS(=O)(=O)[O-])c2cc(C(CCS(=O)(=O)[O-])c3cc(C(CCS(=O)(=O)[O-])c4ccc(O)cc4O)c(O)cc3O)c(O)cc2O)c(O)cc1O.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFDLWNXESLMZFJ-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.Cl.OCCCCc1cc(C(CCCO)c2cc(C(CCCO)c3cc(C(CCCO)c4ccc(O)c(CNCc5ccccc5)c4O)c(O)c(CNCc4ccccc4)c3O)c(O)c(CNCc3ccccc3)c2O)c(O)c(CNCc2ccccc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKZZJPJKUBIPLP-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccccc2N2CCN(Cc3ccccc3C(F)(F)F)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELZEQFJNAUNES-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccccc2N2CCN(CC(=O)O)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZJSLRGECDVHAN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccccc2N2CCN(CC3CCCC3)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHERKWFXTMLKFB-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccccc2N2CCN(Cc3ccccc3F)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLNIXDXGMLIEG-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccc(NS(=O)(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLSKTWXVGGDDT-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1)N(Cc1ccc(NS(=O)(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTCUAMJSDSJKBN-QFIPXVFZSA-N", "SMILES:COC(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(NS(=O)(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYQGEVDVJVGAR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2ccc(NS(=O)(=O)O)cc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKPKKOHGCUBJOI-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Br)c(F)c1)N(Cc1ccc(NS(=O)(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJQIJPJQJNZLSF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2ccc(NS(=O)(=O)O)cc2)c2nc(-c3ccccc3)cs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFPNEFTGVMQEB-QHCPKHFHSA-N", "SMILES:COC(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(NS(=O)(=O)O)cc1)c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRKIYQNFCWELW-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1)N(Cc1ccc(NS(=O)(=O)O)cc1)c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFXBEQFXOJAPBF-FQEVSTJZSA-N", "SMILES:COC(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(NS(=O)(=O)O)cc1)c1nc(-c2cccs2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJJTVPXKJCZYFM-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1Cl)N(Cc1ccc(NS(=O)(=O)O)cc1)c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWLOXDZGKEYRS-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cl)N(Cc1ccc(NS(=O)(=O)O)cc1)c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTQFAVGKLFIEF-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)N(Cc2ccc(NS(=O)(=O)O)cc2)c2nc(-c3ccccc3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGLODFGEJEFGF-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2ccc(NS(=O)(=O)O)cc2)c2nc(-c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XODXGJAKCKGNRZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)Nc1ccc(CN(c2nc(-c3ccccc3)cs2)S(=O)(=O)c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAXBPJDJQTROA-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)Nc1ccc(CN(c2nc(-c3ccccc3)cs2)S(=O)(=O)c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWDMFVVLHCGQJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cl)N(Cc1ccc(NS(=O)(=O)O)cc1)c1nc(-c2cccs2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCQAYYKPDURFRM-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)N(Cc2ccc(NS(=O)(=O)O)cc2)c2nc(-c3cccs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOIWWDWZZZCMTN-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2ccc(NS(=O)(=O)O)cc2)c2nc(-c3cccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONPQLLZMXWDYLA-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)Nc1ccc(CN(c2nc(-c3cccs3)cs2)S(=O)(=O)c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODJIISZWRMRWJY-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)Nc1ccc(CN(c2nc(-c3cccs3)cs2)S(=O)(=O)c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRVAHGJBKPQHBF-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)Nc1ccc(CNc2nc(-c3cccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPWGLNUKDSSLE-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccc(NS(=O)(=O)O)cc1)c1nc(-c2cccs2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMBJKNBXKIEML-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1)N(Cc1ccc(NS(=O)(=O)O)cc1)c1nc(-c2cccs2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPIOTHCNQDBNL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CNc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFALLKHGFYALLN-UHFFFAOYSA-N", "SMILES:O=C(NC1CCOCC1)c1cnn2ccc(NCc3cccc(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRECJHDRGHRISJ-WKILWMFISA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1cnn2ccc(NCc3cccc(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSFWCDXKANAOR-QAQDUYKDSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cnn3ccc(NCc4cccc(F)c4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIBXJXGRPGLMNF-UHFFFAOYSA-N", "SMILES:CC(Nc1ccn2ncc(C(=O)NC3CCOCC3)c2n1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YULGUEUNAUSRLU-RTUCITHXSA-N", "SMILES:CC(Nc1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFJJMJDSZCVFB-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(F)c1)c1ccn2ncc(C(=O)NC3CCOCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STWHXHVYDHMYLA-QAQDUYKDSA-N", "SMILES:CN(Cc1cccc(F)c1)c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBJLSNHFJGYVEM-IYARVYRRSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cnn3ccc(N(C)Cc4cccc(F)c4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTAENTXYMAYPT-UHFFFAOYSA-N", "SMILES:O=C(NC1CCOCC1)c1cnc2ccc(NCc3cccc(F)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKADWKPKWWVYNH-WKILWMFISA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1cnc2ccc(NCc3cccc(F)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDGABDPCDHSBA-QAQDUYKDSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cnc3ccc(NCc4cccc(F)c4)nn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACPUBIOTDCEPPH-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2cnn3ccc(NCc4cccc(F)c4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTZOCPLASJDBNS-UHFFFAOYSA-N", "SMILES:CC(Nc1ccn2ncc(C(=O)NC3CCN(C)CC3)c2n1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXOXOJTYGWMAHB-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2cnc3ccc(NCc4cccc(F)c4)nn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKMXNTQXGVOORY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccc(F)cn2)cc1)c1cc2sc(NCCN3CCOCC3)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MASLDMMCJNQSKH-WJDWOHSUSA-N", "SMILES:CC1(C)CCc2c(ccc3c2O/C(=C\\c2ccccn2)C3=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSJPVULRHKDSHA-YBEGLDIGSA-N", "SMILES:Cc1ccc(/C=C2\\Oc3c(ccc4c3CCC(C)(C)O4)C2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTCWGIACIFWSDJ-ATVHPVEESA-N", "SMILES:CC1(C)CCc2c(ccc3c2O/C(=C\\c2ccccc2)C3=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMFMWBPYIBUFD-YVLHZVERSA-N", "SMILES:CC1(C)CCc2c(ccc3c2O/C(=C\\c2ccc(O)c(O)c2)C3=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMFRKIUAGPCEBF-WQRHYEAKSA-N", "SMILES:COc1cc(/C=C2\\Oc3c(ccc4c3CCC(C)(C)O4)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDCTWOTTJHTTF-BOPFTXTBSA-N", "SMILES:CC1(C)CCc2c(ccc3c2O/C(=C\\c2cccc(O)c2)C3=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJLPIJNZJYZGU-QRVIBDJDSA-N", "SMILES:COc1cc(/C=C2\\Oc3cc4occc4c(OC)c3C2=O)ccc1OCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBDDIDQNMQRSU-BKUYFWCQSA-N", "SMILES:COc1cc(/C=C2\\Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQJYIGWZKZCCJR-HMAPJEAMSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1ccc(OCCN3CCCCC3)c(Cl)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAYEOMAXFNLKY-PGMHBOJBSA-N", "SMILES:O=C1/C(=C/c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWHGWLVJNDHIIG-JCMHNJIXSA-N", "SMILES:COc1ccc(/C=C2\\Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKQXQSZQKROBLG-HKWRFOASSA-N", "SMILES:O=C1/C(=C/c2ccc(OCCN3CCCC3)cc2)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCOHZVNWJNAOQ-NDENLUEZSA-N", "SMILES:COc1cc(/C=C2\\Oc3cc(OCCN4CCCC4)ccc3C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXLOTFOJDXOMW-KQWNVCNZSA-N", "SMILES:CCOc1ccc2c(c1)O/C(=C\\c1ccc(OCCN3CCCCC3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLZHYFKPLKCUHD-ZDLGFXPLSA-N", "SMILES:O=C1/C(=C/c2ccc(N3CCCCC3)cc2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWFCNSUNDWSXSB-PXNMLYILSA-N", "SMILES:COc1cc(O)c2c(c1)O/C(=C\\c1ccc(N(C)C)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPJSPLSLCAGEG-ODLFYWEKSA-N", "SMILES:COc1cc(O)c2c(c1)O/C(=C\\c1ccc(N3CCCCC3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUXXTORAZIFFMU-WQRHYEAKSA-N", "SMILES:CC(C)=CCc1c(O)ccc2c1O/C(=C\\c1ccc(O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPHPQWXSNUHRX-WUQDTEKSSA-N", "SMILES:CC(C)(O)[C@H]1Cc2ccc3c(c2C1)O/C(=C\\c1ccc(O)c(O)c1)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLSLVDNVMYYZGX-CAMXFFFOSA-N", "SMILES:O=C1NC2([C@@H](O)[C@@H]3C=CCCC3)C(=O)O[C@H]2[C@H]1CCCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270515", "category": ["biolink:ChemicalEntity"], "name": "DELANZOMIB", "xref": ["InChIKey:SJFBTAPEPRWNKH-CCKFTAQKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O"], "synonym": ["Delanzomib", "Delanzomib", "CEP 18770", "CEP-18770", "CIP 18770", "CIP-18770", "CT 47098", "CT-47098", "NPH 007098", "NPH-007098", "NPH007098", "Delanzomib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPWHHUJACGNMZ-OEUIFBLYSA-N", "SMILES:CC(C)[C@H](O)C12NC(=O)[C@H](C)[C@@H]1OC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5286315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXPRZZJRXFFISK-UQCZDTBXSA-N", "SMILES:Cc1cc2c(s1)-n1c(C)nnc1[C@H](CC(=O)NCCOCCCOCC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c3scnc3C)cc1)C(C)(C)C)N=C2c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4226052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLOGRLTDKDANT-TYIYNAFKSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPWWJFDDBCYXBZ-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(CN2CCC3=C(C2)C(=O)N(Cc2ccc(C)cc2)C2=NCCN23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVOUCUCJXNWNGM-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC3=C(C2)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2=NCCN23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVFQQBTVHHWBZ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC3=C(C2)C(=O)N(Cc2ccc(Cl)cc2)C2=NCCN23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUHFVWVTONSREN-UHFFFAOYSA-N", "SMILES:Cn1c2c(c(=O)n(Cc3ccc(Cl)cc3)c1=O)CN(Cc1cccc(C#N)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNJXVMWNCHOCHA-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCc3c(c(=O)n(Cc4ccc(C(F)(F)F)cc4)c(=O)n3CCCN)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKRNXLAHYIGGFO-INIZCTEOSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](CCF)C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCMWQLXHZKEHAD-AREMUKBSSA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCC3C(=O)c4ccccc4C3=O)C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAAEFMNVNGONW-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(S(=O)(=O)CC(CCCc2ccccc2)C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCLAWKUXDCGDW-SFHVURJKSA-N", "SMILES:CCc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVQKPPCVSXIXMD-QGZVFWFLSA-N", "SMILES:CCN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c1ccc(-c2nc(-c3ccc(C)s3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEMMYXYZFDGSMT-NGEBXWNVSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]1C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@@H]1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRGTDIOUKAAHH-UHFFFAOYSA-N", "SMILES:COc1nsc(NC(CC(C)C)C(=O)N2CCCC2C(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFRLOVNUDLMMCT-UHFFFAOYSA-N", "SMILES:N#CN1CC(CNC(=O)C2CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPASTJUAGHHBB-XCGXVIJNSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXMVDCUVCHPNFZ-YYZLBNHFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYIYYGXSDQMMQ-HMIZNXJWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLQKHFKOFAARAK-ZJZGAYNASA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTAXIZZPSKQLBS-YUIMBCMTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFQBKFJICQRDF-LSXSSXCESA-N", "SMILES:CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVIJWXHIRNCSG-DUSBTPNUSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYVGIYUMYNDTLT-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSGYGFOUDGOKL-INIZCTEOSA-N", "SMILES:N#Cc1cnn2c(Nc3ccc4c(c3)CCC(=O)N4)cc(N3CCC[C@H]3CC(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFTHMXHAOYUDNL-UHFFFAOYSA-N", "SMILES:CCNc1cc(-c2cccnc2)nc2ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRISIUXBSNAYFR-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cl)c(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMDAAEXPGFOHGX-INIZCTEOSA-N", "SMILES:N#Cc1cnn2c(Nc3ccc4c(c3)CCC(=O)N4)cc(N3CCC[C@H]3CO)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SABLEOBBNNRHAD-WNJMFGOSSA-N", "SMILES:N#Cc1cnn2c3cc(nc12)N1C[C@H](C[C@H]1CO)OC/C=C/COc1cc(cc2c1NC(=O)CC2)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDJEFBPBCSCLA-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cn(CC(=O)N3CCOCC3)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZYMLHIWNRHJH-AXJLXYLLSA-N", "SMILES:Cc1ccccc1CN1C(=O)CCc2cc3cc(c21)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUTCDOJKEIYLAL-ZPRFHTKYSA-N", "SMILES:COc1cccc(CN2C(=O)CCc3cc4cc(c32)OC/C=C/CO[C@H]2C[C@@H](CO)N(C2)c2cc(n3ncc(Cl)c3n2)N4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFKBQOSFOXILAT-SYUVZMNCSA-N", "SMILES:O=C1CCc2cc3cc(c2N1Cc1ccccc1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNXJYWPLEPTIHF-JOCHJYFZSA-N", "SMILES:CC(C)CCC(=O)NCCCN1C(=O)CCc2cc3cc(c21)OCCOC[C@H]1COCCN1c1ncc(Cl)c(n1)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPOLUVUMJCGZBW-HXUWFJFHSA-N", "SMILES:CC(C)CCC(=O)N1CCN2c3ncc(Cl)c(n3)Nc3cc4c(c(c3)OCCOC[C@H]2C1)N(C)C(=O)CC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTSZAULBNXSOMT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSNMXJGUICGVME-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3ccnc(Cl)c3C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOQWJDRAIBTQM-IYBDPMFKSA-N", "SMILES:C[C@@H]1C[C@H](C)CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMHWEJXBVPJOM-UHFFFAOYSA-N", "SMILES:CNC(=O)COc1cc2cc(Nc3nc(NCc4cccc(S(C)(=O)=O)c4)ncc3Cl)cc(OC)c2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1727323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CITZANXHXWMHOG-UHFFFAOYSA-N", "SMILES:N#Cc1c(NCc2ccccc2)ccnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPZSUZTGMULLK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C)c2cc(Nc3cc(SCc4ccccc4)ncn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBNRXHKCJFZBY-UHFFFAOYSA-N", "SMILES:N#Cc1c(NCC2CC2)ccnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLONIHFWCNPQPN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C)c2cc(Nc3ncccc3C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKMCFDQRLWCOQA-UHFFFAOYSA-N", "SMILES:CNC(=O)COc1cc2cc(Nc3nc(-n4nc(C)cc4C)ncc3Cl)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL355370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKJMGIXWGPEEFF-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(Cc2ccc(N)c(I)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL138746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOUQIXNUUYCGAU-MOROJQBDSA-N", "SMILES:CCCCn1c(=O)c2c(ncn2[C@@H]2O[C@H](C(=O)NC)[C@@H](O)[C@H]2O)n(CCCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKUCFFYOQOJLGT-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)[nH]c2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL322250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDLBAAURBBVHGB-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1114", "category": ["biolink:ChemicalEntity"], "name": "THEOBROMINE", "xref": ["InChIKey:YAPQBXQYLJRXSA-UHFFFAOYSA-N", "SMILES:Cn1cnc2c1c(=O)[nH]c(=O)n2C"], "synonym": ["Theobromine", "Diurobromine", "Santheose", "Theobromine", "Theobromine(20%)", "Theobrominum", "Theosalvose", "Xantheose", "FEMA NO. 3591", "NSC-5039", "SC-15090"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL298474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQCJPFYWFGUHIN-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2nc(C3CC4CC3C3OC43)[nH]c2n(CCC)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL11002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFOUTECLIYSGOW-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCCN(C)C)cc3)[nH]c2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGFLGAECJIANY-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2nc(-c3ccc(OCC(N)=O)cc3O)[nH]c2n(CCC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62350", "category": ["biolink:ChemicalEntity"], "name": "8-PHENYL THEOPHYLLINE", "xref": ["InChIKey:PJFMAVHETLRJHJ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O"], "synonym": ["8-PT", "8-Phenyl-1,3-dimethylxanthine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL11348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSWNSHUTPWCNF-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SENJBFBVCXOUFE-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2nc(-c3ccc(Cl)cc3N)[nH]c2n(CCC)c1=O"]}
{"name": "Adenosine receptor A1", "xref": ["CHEMBL.TARGET:CHEMBL4975"], "id": "UniProtKB:P28190", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWHLLTUJISZFDN-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJSJIXZOAMHTG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGIMZNURUXDIJ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2nc(-c3ccc(C(=O)O)cc3)[nH]c2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBWFIUAVMCNYPG-BQYQJAHWSA-N", "SMILES:Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL834", "category": ["biolink:ChemicalEntity"], "name": "PAMIDRONIC ACID", "xref": ["InChIKey:WRUUGTRCQOWXEG-UHFFFAOYSA-N", "SMILES:NCCC(O)(P(=O)(O)O)P(=O)(O)O"], "synonym": ["Pamidronic acid", "Pamidronic acid", "Acide pamidronique", "Acido pamidronico", "Pamidronate", "Pamidronic acid", "Ribodroat"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3314098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWARKPAWPYGVBI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cn2c(C(=O)O)cc3ccc4ccccc4c32)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXUIWXMHRWMXLO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2ccc(C(=O)O)c(OCc3cccc4ccccc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJZKWPSCTNBEFJ-UHFFFAOYSA-N", "SMILES:CCOc1c(N)cc(-c2cccc3ccccc23)c2nc(C(=O)O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDCZVMPIHQCZHL-HQSZAHFGSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC(/C=C(\\C)CCC=C(C)C)(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYUCVWZCMHVVBQ-IWGRKNQJSA-N", "SMILES:CC(C)=CCC/C(C)=C/COC(C/C=C(\\C)CCC=C(C)C)(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GADOQTNZNVQUEX-UHFFFAOYSA-N", "SMILES:CC(C)=CCCC(C)=CCCn1cc(CC(P(=O)(O)O)P(=O)(O)O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYOLBBFWHOLIIX-UHFFFAOYSA-O", "SMILES:CCCCCCCCCCCOc1ccc[n+](CC(P(=O)(O)O)P(=O)(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKBAMOFOJGSRE-QTDWKJQYSA-N", "SMILES:CCCCCCC[C@@H]1NC(=O)[C@@H]2CSCCCSC[C@@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(=O)NCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTFYYZHMRBVHK-LJQANCHMSA-N", "SMILES:O=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDFDEUWCTAMRCT-FFXKMJQXSA-N", "SMILES:Cc1cncc2cccc(SN3CCCNC[C@H]3C)c12.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVIJFJSZZNOTLP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=N)Nc2ccccc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290216", "category": ["biolink:ChemicalEntity"], "name": "MBQ-167", "xref": ["InChIKey:LJCANTASZGYJLG-UHFFFAOYSA-N", "SMILES:CCn1c2ccccc2c2cc(-n3nncc3-c3ccccc3)ccc21"], "synonym": ["Mbq-167"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFAMZFLIZLKOEB-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1404260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFTRJCNUANLPGE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWKMVRBQXNZKK-NSHDSACASA-N", "SMILES:O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URWFLZJCYFKFFK-UHFFFAOYSA-N", "SMILES:Cc1ccc2ncc(CC(O)(C(=O)O)P(=O)(O)O)n2c1"]}
{"name": "Ras-related protein Rab-11A", "xref": ["CHEMBL.TARGET:CHEMBL5291509"], "id": "UniProtKB:P62491", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBCJODNOIUWTN-UHFFFAOYSA-N", "SMILES:O=C(O)C(O)(Cc1cnc2ccc(Br)cn12)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDVZHAQROJMDB-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(-c2ccc3ncc(CC(O)(C(=O)O)P(=O)(O)O)n3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGHFKUKPWXKJA-UHFFFAOYSA-N", "SMILES:Cn1cncc1CC(F)(C(=O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152922", "category": ["biolink:ChemicalEntity"], "name": "PF-04995274", "xref": ["InChIKey:WLLOFQROROXOMO-GOSISDBHSA-N", "SMILES:OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1"], "synonym": ["Pf-04995274"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMMUWNZJVRMWCJ-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(CCCO)CC2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMIFANVJKKNLBN-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(CCO)CC2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEURTONXJUAKS-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(CCF)CC2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBZGSQZXOFDNN-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)O)CC2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWKLAIDTLLBPSM-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)F)CC2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJILQKGBKOQNX-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)CO)CC2)c2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNVAWRMRVWVMHG-UHFFFAOYSA-N", "SMILES:COCC(C)(C)CN1CCC(NC(=O)c2nn(C(C)C)c3ccccc23)CC1.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYZMULWSDUCKMK-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(C3CCOCC3)CC2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKVRUVOZMDJHIC-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(CC3CCOCC3)CC2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZTMDHKVAHWRKS-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(CC3(O)CCOCC3)CC2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZPRGLALXVSJSU-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(CC3(F)CCOCC3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKIOXWPVYPUNRY-UHFFFAOYSA-N", "SMILES:COCCCN1CCC(NC(=O)c2nn(C(C)C)c3ccccc23)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNAJUDQPFHZMBB-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)C(=O)O)CC2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDLICHXPGUZEQL-UHFFFAOYSA-N", "SMILES:COCCCN1CCC(O)(NC(=O)c2nn(C(C)C)c3ccccc23)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVUDGGZRWFCKX-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2(O)CCN(CC3CCOCC3)CC2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHJNFMXETCVHCN-UHFFFAOYSA-N", "SMILES:COCCCN1CCC(F)(NC(=O)c2nn(C(C)C)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPHPDFRHADOSN-UHFFFAOYSA-N", "SMILES:COCCCN1CCOC(NC(=O)c2nn(C(C)C)c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZESXLTOVSLFNGD-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2C3CN(CCF)CC32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQMXVLMJHADRW-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2C3CN(Cc4ccccc4)CC32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICBVDYUZEKUHTM-UHFFFAOYSA-N", "SMILES:COCCCN1CC2C(CNC(=O)c3nn(C(C)C)c4ccccc34)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXCUAXXCKFHCAF-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NCC2C3CN(C4CCOCC4)CC23)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXNWUWZVKDKSX-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2C3CN(CC4CCOCC4)CC32)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWCCMXCHYXRCF-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCC(CN2CC3C(CNC(=O)c4nn(C(C)C)c5ccccc45)C3C2)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWHSDMXOILOCHX-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCC(N2CC3C(CNC(=O)c4nn(C(C)C)c5ccccc45)C3C2)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVXOPISSJLTDE-UHFFFAOYSA-N", "SMILES:COCCCN1C2CCC1CC(NC(=O)c1nn(C(C)C)c3ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COMGJNIXZPHVKY-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CCF)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPDGAIXNSKJEOT-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CCCCF)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSUVXMAGUFPWQY-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC(C)(C)O)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAQWJNNXSTCGW-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUONJBJFSHVPNY-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC2CCOCC2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZFVLCTKYYCEA-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC2(O)CCOCC2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKLJPESWJKCKBK-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NCC2CC3CCC(C2)N3CC2(F)CCOCC2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFTPJJQOSAQCHL-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCNCC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUYJRMFAFYNTRY-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNZDYZIKNSBFG-UHFFFAOYSA-N", "SMILES:CC(C)CCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STENMHAOBIBZMX-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(CCc4ccccc4)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVIZUKFRUKBLEZ-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(CC4CCC4)CC3)o2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZTKHUMXLKMPFW-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYPBTGYEJITPU-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(C4CC4)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUQVAHEEFXWCX-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(C4CCC4)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCLZOGZSLISYIY-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(C4CCCC4)CC3)o2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCUDWPDAGINEBW-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(CCF)CC3)o2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUNYODPWYANEIK-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(CCCO)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHXCJKNEBFAUSE-UHFFFAOYSA-N", "SMILES:COCCCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBFPLETVCMXFBB-UHFFFAOYSA-N", "SMILES:CSCCCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHXVCXYHHKILAQ-UHFFFAOYSA-N", "SMILES:COCCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHBGKYWBBOIOEW-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(C4CCOCC4)CC3)o2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTGJXFMVMWXTCY-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(CC4CCOCC4)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILFNUEABSRDAJV-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(CC(C)(C)O)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQBGNSOHKJTFF-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(CCC(C)(C)O)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWUKMXHEAVYKBX-UHFFFAOYSA-N", "SMILES:COCC(C)(C)CN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWULMJQXAMPTDP-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(CC4(O)CCCC4)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAHJWJXHCSMEBN-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CCN(CC4(O)CCOCC4)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADMVLMIVJUPLDW-UHFFFAOYSA-N", "SMILES:COCCCN1CCC(O)(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUMILYRFOSVIZ-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(CC3CCN(C4CC4)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVWUUUWTXYKGV-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(CC3CCN(C4CCC4)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNMLTKNUFUDOPQ-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(CC3CCN(C4CCCC4)CC3)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFXFPVPWNJIDI-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nnc(C3CC4CCC(C3)N4C)o2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPFLGQIVLQBKRM-UHFFFAOYSA-N", "SMILES:COCCCN1C2CCC1CC(c1nnc(-c3nn(C(C)C)c4ccccc34)o1)C2.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWMQHGBVMHQTO-UHFFFAOYSA-N", "SMILES:COCCCN1CCC(c2nc(-c3nn(C(C)C)c4ccccc34)no2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUAVMMBEQQODS-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2noc(C3CCN(CC4CCOCC4)CC3)n2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFLHCNFYIUXRP-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(c2nc(-c3nn(C(C)C)c4ccccc34)no2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KASLEYDBPDYZEO-UHFFFAOYSA-N", "SMILES:COCCCN1CCC(c2noc(-c3nn(C(C)C)c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLOKHQZLPDHLO-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nc(C3CCN(CC4CCOCC4)CC3)no2)c2ccccc21.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKCSHBGLTDVQOL-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(c2noc(-c3nn(C(C)C)c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWAVZGDAVYHOPO-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC(C)(C)F)c2ccccc21.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRAQMBSBKYAKMR-DVKRWUGUSA-N", "SMILES:CC(=O)N1C[C@H](C(=O)Nc2ccc(C)cc2C)[C@@H](c2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDLNPCTVICUIF-PXAQALGRSA-N", "SMILES:COc1ccc2c(n1)CCN(C(=O)[C@H]1C[C@@H](C(=O)O)C1)[C@@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKCGMLTBGENHB-GCOVDLRRSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5187263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRCLEMCHGYDSY-KRWDZBQOSA-N", "SMILES:Cc1ncc(C(=O)Nc2cn3ccnc3c(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIURRJOJDQOMFC-FSRLHOSWSA-N", "SMILES:Cc1ccc([C@@H](NC(=O)Cc2ccc3oc(C(O)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMBIDOWYJZWLB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c2ccccc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZAWLWZKYNTTQL-RZDGSAQYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEOCESQEOWHKDQ-HMWZRHKHSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC2CCC2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGBSXNCBIWWLHD-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQZCVINPOZDEDZ-YXDRAXQRSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSNGPBHIPKMKT-LEEWRXQBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3347578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOFKRFVYOFYTI-KEQPWATNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSDBFJUWANYES-UBWKHRTASA-N", "SMILES:CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLLBQVCQMKTEN-DZKTVICBSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZJRNGXHRQJBJH-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTXVDFJHYKWOG-NJUAEABQSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTGTKRROZUQTQ-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1cc2ccccc2[nH]1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGYXXVVLRDGURB-UHFFFAOYSA-N", "SMILES:CC(C)N(CC(N)=O)C(=O)c1cc2c(N(C)C)nc(NCCc3c[nH]c4ccccc34)nc2n1CCCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZZIKEHDARTUPE-PUZYHYNUSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWWQYOWAPGRPRH-NDEPHWFRSA-N", "SMILES:CN(C)CCCN(C)[C@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2Cc2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEXMEVPQEPHTAQ-IDUWFGFVSA-N", "SMILES:Cc1c(Cl)ccc2c(/C=C3\\NC(=O)N(Cc4ccc(F)c(F)c4)C3=O)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYQBPVMECJUBO-GXHLCREISA-N", "SMILES:Cc1c(Cl)ccc2c(/C=C3\\NC(=O)N(C(C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZLCRARJKZBGT-SXGWCWSVSA-N", "SMILES:COOc1cc(/C=C2\\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSAOHHKDDGKZTL-AJQTZOPKSA-N", "SMILES:CC(C)(C)Oc1cc(C(=O)CC(N)=O)ccc1C1=N[C@@H](c2ccc(C(=O)O)cc2)[C@@H](c2c[nH]c3ccccc23)N1C(=O)N1CCNC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBRPHKCUTJQHLB-VWLOTQADSA-N", "SMILES:C[C@@H](c1cccc(Cl)c1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cc(C(=O)O)ccc2N2CCC(N3CCCOC3=O)CC2)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYMQKAVXRHKUHA-SANMLTNESA-N", "SMILES:C[C@@H](c1cccc(Cl)c1)n1cnc(-c2ccccc2)c1-c1c(C(=O)NCCN2CCN(C3CCCCC3)CC2)[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGMKERXGPBQDO-HNNXBMFYSA-N", "SMILES:COc1cccc2c(C(=O)N[C@H]3CCN(c4ccc(C)cc4)C3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDVYCLAYSVNYDS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCC(COc3ccc(-c4ccc(C#N)cc4)cc3)(C(=O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUYOECAJFJFUFC-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMWMPTMQNJXLNV-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL349609", "category": ["biolink:ChemicalEntity"], "name": "ARBORININE", "xref": ["InChIKey:ATBZZQPALSPNMF-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(O)c1OC)c(=O)c1ccccc1n2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL588", "category": ["biolink:ChemicalEntity"], "name": "FENOLDOPAM", "xref": ["InChIKey:TVURRHSHRRELCG-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1"], "synonym": ["Fenoldopam", "Fenoldopam", "Fenoldopam", "Fenoldopam", "Carlacor", "Fenoldopam", "SK&F-82526", "SK-82526"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL5272643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGLVXVWLBYILW-VMPITWQZSA-N", "SMILES:COc1cc(F)c(/C=C/c2ccc(C(=O)NO)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJVSGEXYQFXTKC-VMPITWQZSA-N", "SMILES:COc1cc(Br)c(/C=C/c2ccc(C(=O)NO)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2046709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUOQTXBUKUGDV-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3nccs3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOVXKFDGPCLMFH-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3nnnn3-c3ncc(Br)cn3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCYLHHOMZODKCF-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Sc3nnnn3-c3ncc(Cl)cn3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGFIXFXFJSELS-UHFFFAOYSA-N", "SMILES:COc1cc2c(Sc3nc[nH]n3)ncnc2cc1OBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZRVLFBPXQREF-UHFFFAOYSA-N", "SMILES:COCc1cccc(NC(=O)c2cc3sccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTMDINLEUVQEF-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc3c2CCCN3Cc2ccc(OC3CCNCC3)cc2[N+](=O)[O-])cc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUGOBSSVHSLLD-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)CC(=O)Nc2cccc3c2CCCN3Cc2ccc(OC3CCNCC3)cc2)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPTDUSGPTWNANO-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc2c1CCCN2Cc1ccc(OC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICVJWPVRNSISDZ-UHFFFAOYSA-N", "SMILES:CNCCCNCc1coc2cc(-c3ccc(C)cc3)c(-c3ccc(C#N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRYNOVKRKLADI-LSDHHAIUSA-N", "SMILES:Cc1nnc(NC(=O)c2cccc([C@@H]3C[C@H]3NC3CCC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZNGFWQWWSECMG-HUUCEWRRSA-N", "SMILES:O=C(NC1CCOCC1)c1csc([C@@H]2C[C@H]2NCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIBXNKRQIHNPEZ-LOSJGSFVSA-N", "SMILES:O=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXAZXVCEXHGHP-JSJBGUNVSA-N", "SMILES:CN(C(=O)c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1ccc([18F])nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFXVMZHVWWRGY-JKSUJKDBSA-N", "SMILES:N[C@@H]1C[C@H]1c1cccc(C(=O)NCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXDCMXPIRZHNRS-DLBZAZTESA-N", "SMILES:N[C@@H]1C[C@H]1c1ccc(C(=O)NCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKPCUYPZUOYKD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cn[nH]c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNDBHSSJBNDJL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccnc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIDRBRUIPMEOSE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccnc1N1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGLMFNAVAVGQP-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(c2ncccc2C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFGTUARXGQJKFV-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLYUQDWNANXUKJ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)S(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVCRCMUWFAVMLF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2COC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWHRXAPWFFOYDR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccnc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQPHGASLCKSKK-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMDYHJAVYVCQV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CCCC2)n1)c1ccc(NCCO)cc1N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFNAUKBXAZQINA-UHFFFAOYSA-N", "SMILES:CN(CCO)c1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCUQAEOAUMYNKH-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFFYRHIZKRFATP-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CCCC3)n2)c(N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNMFMVIKMGGIKR-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CO)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRVYTLZYUXJPBI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3(CO)CC3)cc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJRJBGBBKFHPC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NS(C)(=O)=O)nc2N2CCC3(CC2)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVFKLBXKVKFORP-INIZCTEOSA-N", "SMILES:C[C@H](NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(CO)CO)nc2N2CCC3(CC2)CC3)c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1990168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZDUQPHKUBZMLW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZREOMQHKSUZDBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C2(C(F)(F)F)N=N2)c1)c1ccc(NS(=O)(=O)CCO)nc1N1CCC2(CC1)CC2"]}
{"name": "Centromere-associated protein E", "xref": ["CHEMBL.TARGET:CHEMBL5870"], "id": "UniProtKB:Q02224", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinesin-like protein KIF18A", "xref": ["CHEMBL.TARGET:CHEMBL5291576"], "id": "UniProtKB:Q91WD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQSBJOMLQLAKC-BSYVCWPDSA-N", "SMILES:O=C1/C(=N/Nc2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UREYXGQUYJKYFC-CWTRNNRKSA-N", "SMILES:Cc1nc(N2CCC3(CC2)OC[C@@H](C)[C@H]3N)c(CO)nc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIHXAIFDJPVFAT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZFNVUDOVPFZFA-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-n3cncn3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSMPLNBXMMFNHO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c(N3CCN(c4ccccc4)CC3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJQINYKOQTYIC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)cc(-n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWSXEQILOPSURJ-UHFFFAOYSA-N", "SMILES:COc1cc2oc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)cc(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSUEACWFJGZKG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)CN(CCCCC3CCN(Cc4ccccc4)CC3)C(=O)c3cc(=O)c4ccccc4o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYLLHGMLGKVEV-UHFFFAOYSA-N", "SMILES:O=C(CCCCC1CCSS1)NCc1cn(CCCCOc2ccc3c(=O)ccoc3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYKMQRPZRNJNL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc4c(=O)c(C=O)coc4cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCMWUFLTMJGHMS-PNQUVVCRSA-N", "SMILES:O=c1c(/C=N/Nc2ccc(C(F)(F)F)cc2)coc2c1ccc1oc(-c3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHNKNQLVUWEET-ZETCQYMHSA-N", "SMILES:COc1cccc2oc3c(c(=O)c12)[C@@H](O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKASAIWJOBKAM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(Br)c(I)cc3c(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORJAEUYEYIVMK-QPJJXVBHSA-N", "SMILES:COc1ccc2oc(/C=C/c3ccc(Cl)cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPKTVKFGINCIK-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-n3ccc4ccccc43)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHYYDLKTEHTXCH-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Cl)cc2)oc2ccc(Cn3cc(Nc4ccc(F)cc4)nn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XODOSMJGHSZKEN-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccccc2)oc2cc(Br)c(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHDXDECWYDHLIO-UHFFFAOYSA-N", "SMILES:COc1ccc2ccn(-c3cc(=O)c4ccccc4o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEZPINNYPARESR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)cc(-n3ccc4ccccc43)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWXWFAGXVPZJS-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccc(Cl)cc1)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZBUQZTAYXBFD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)cc(C(=O)NCCN3CCCCC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPTZIUFLDAANA-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NCCc1ccc(OC)cc1)c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNYCMASIUVBER-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2c(OCc3ccccc3)ccc3c(=O)c(C)c(C)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMORWUOFXBCRRL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2c(OCc3ccccc3)ccc3c(=O)c(C)c(C)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPBZNUOMAGRPSV-WUKNDPDISA-N", "SMILES:Cc1ccc(C#CCOc2ccccc2/C=C/c2cc(=O)c3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDZHELLCLDWNFW-UHFFFAOYSA-N", "SMILES:CCc1cc[n+](CCCOc2ccc3c(=O)cc(-c4ccc(OC)cc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBKOBTQJOXUDNZ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Cl)cc2)oc2cc(OCCCC[n+]3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHNKNQLVUWEET-SSDOTTSWSA-N", "SMILES:COc1cccc2oc3c(c(=O)c12)[C@H](O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUPUIWBDRFRTJJ-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(CNC34CCC(CCc5c(Cl)cnc6ccc(=O)n(CCO)c56)(CC3)OC4)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3305005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOYDHFZZXSZFA-UHFFFAOYSA-N", "SMILES:COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3305167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCUKLIKGBNEKA-WOEOTAOXSA-N", "SMILES:COc1ccc2ncc(F)c(C[C@H](O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHQMKOHGLBSON-WNMGUVTHSA-N", "SMILES:O=C1COc2ccc(CNC34CCC(C[C@]5(O)Cn6c(=O)ccc7ncc(F)c5c76)(CC3)OC4)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3425810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBMXDYDAMJQUBR-WNMGUVTHSA-N", "SMILES:O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NCc3cc4c(cn3)OCCO4)(CC1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXKUWQMQUYUSE-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCCO[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBFQADAHYGPMY-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQKSDXWRASQZQU-UHFFFAOYSA-N", "SMILES:CCCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMJXYCCDMAGPLE-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn(CCCCCO)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDGVXYJOALAAV-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn(CCCCSC#N)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXRNYWJBSBHDG-UVGSMQMLSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYXQFJDQDXLTHH-JMEZDKBESA-N", "SMILES:CCOc1cc(C(C)(C)C)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(c4ccc(C(C)(C)C)cc4OCC)=N[C@H](c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)CC2=O)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZCAXDTKNFUCR-CTMFSBKBSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCOCCOCCCCCOCC(=O)NCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMCHOLAKDUZDS-XARBDFOFSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCOCCCCCOCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYNNLYLIKZTWRT-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUQTXFIMYFMULC-RWGFKJRNSA-N", "SMILES:CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(=O)NCCOCCOCCOCC(=O)N[C@@H](C(=O)N4C[C@@H](O)C[C@@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)c2)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDQQUCFECMBCW-LTBURMSWSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OCC(C)(COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCCVOVKHXKNCI-NZJPSXCPSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](OC(=O)CCCCn3cc(CNC(=O)CC[C@H](NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)nn3)CN2C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOZFYEQXTYIFDI-SUHQCXPVSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCCCC(=O)N[C@H](C(=O)N2C[C@H](OC(=O)CCCCn3cc(CNC(=O)CC[C@H](NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)nn3)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBLXNTADPMIPHX-VRBSPNJGSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC(=O)NCCNc2cccc3c2C(=O)N(C2CCC(=O)N(C(=O)OCCSSCCn4cc(CNC(=O)CC[C@H](NC(=O)c5ccc(NCc6cnc7nc(N)[nH]c(=O)c7n6)cc5)C(=O)O)nn4)C2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTKWUSZREJYOFW-HYLKUYSESA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)c2cc3c(cc2CS(C)(=O)=O)C2=CC(C)C(=O)c4[nH]cc(c42)CN3c2ncc(F)cc2F)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPXTXMXBAKVJL-XHUZQXAXSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCN2CCN(C/C=C/C(=O)N3CCC[C@@H](n4nc(-c5ccc(Oc6ccccc6)cc5)c5c(N)ncnc54)C3)CC2)C[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQIURFOHEWHROK-WNKYWPOYSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C[C@H]1C(=O)OCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSLUWEWRUWTRBT-QQKHLPPFSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCCCCCOCCOCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJJZBBBSQKVNHL-BYBNZYMESA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)/C=C/CCCCOCCOCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEABZGHTSXTNRF-FDSQPYDVSA-N", "SMILES:CC(C)(/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)CCCOCCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBGKXYCBQYVSE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(NCCCN3CCN(CCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNSNVPSBDWZBQ-LNWDVATRSA-N", "SMILES:CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnc(C(=O)NCCOCCOCCOc2cc3c4c(cccc4c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)cn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AELSXNOPLYVONQ-HJUOASQESA-N", "SMILES:C=C(F)C(=O)N1CCC(c2nc(OC[C@@H]3CCCN3CCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZDWTVEZQSZKM-ZLCUCVQPSA-N", "SMILES:CN(CCCNC(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQFPHEMADDWFAY-NFGNGIJDSA-N", "SMILES:COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4-c4ccc(C(=O)NCCCNC(=O)C[C@@H]5N=C(c6ccc(Cl)cc6)C6C(C)=C(C)SC6n6c(C)nnc65)cc4)C[C@H]3O[C@@H]2C2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMOBNDTZONNKY-MDZDMXLPSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OCCN1CCN(C(=O)CN2CCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAGPSMVIFNDBGK-CDRRMRQFSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCOc1ccc(C3CC(c4ccc(Br)cc4)=NN3C(=O)CCl)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPADEQNOMBTITM-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc(N(Cc3ccccc3)C(=O)CCl)cc2)cc1"]}
{"name": "E3 ubiquitin-protein ligase RNF4", "xref": ["CHEMBL.TARGET:CHEMBL5291604"], "id": "UniProtKB:P78317", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSWVTZWODGGCO-LHEWISCISA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCOc1ccc(Oc3ccc(N(Cc4ccccc4)C(=O)CCl)cc3)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJVDQBSUCNBIV-QBVMTHEVSA-N", "SMILES:CC1(C)[C@H](NC(=O)c2ccc(OCC(=O)NCCCOCCOCCOCCCN(C(=O)CCl)C(C(=O)NCc3ccccc3)c3ccc(Cl)c(Cl)c3)cc2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXUFNUFUSSKQI-PMERELPUSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCNC(=O)CN1CCOc3cc(N(CCC#N)C(=O)CCl)ccc31)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UABTZMQNIWDHGQ-JGNAJVFASA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c(OCCOCCOCCOCCCCCCCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJCGXLMTZGCSRS-JSWXEYCZSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c(OCCOCCOCCOCCCCCCCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1922219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCACHXWSWJBIHG-HIFRSBDPSA-N", "SMILES:CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXIMIJCGTDGDFQ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C)CC4)cc3)oc2c1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3655762", "category": ["biolink:ChemicalEntity"], "name": "CYC-065", "xref": ["InChIKey:DLPIYBKBHMZCJI-WBVHZDCISA-N", "SMILES:CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O"], "synonym": ["Fadraciclib", "Cyc-065", "Cyc065", "Fadraciclib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVNFURYBZMFDZ-UHFFFAOYSA-N", "SMILES:Cl.O=C1NCCc2[nH]c(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBARNMHMGRVVLO-SRQXXRKNSA-N", "SMILES:C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc([S@](=N)(=O)C3CC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTBZUSIDMCXPIU-ZYHUDNBSSA-N", "SMILES:CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZMKTUUTLUIWJN-DHZHZOJOSA-N", "SMILES:O=C1N=NC(=O)/C(=C/Nc2ccc(-c3nc4ncccc4[nH]3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWIVMOCGIBLEDW-VHEBQXMUSA-N", "SMILES:CNC(=O)c1nnn(Cc2c(F)cccc2F)c1/N=N/N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCUQXAATHSVMGE-ISLYRVAYSA-N", "SMILES:CN(C)/N=N/c1c(C(N)=O)nnn1Cc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWOIQZLICRYEGV-QZQOTICOSA-N", "SMILES:CN(C)/N=N/c1c(C(=O)NC2CC2)nnn1Cc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGGUOKRHCHWYSI-WCWDXBQESA-N", "SMILES:CN(C)/N=N/c1c(C(=O)Nc2ccccc2)nnn1Cc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHBYKAOOCPSJT-OCOZRVBESA-N", "SMILES:CN(C)/N=N/c1c(C(=O)NCc2ccccc2)nnn1Cc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZUGJJROWBEQI-GHVJWSGMSA-N", "SMILES:COC(=O)CCCNC(=O)c1nnn(Cc2c(F)cccc2F)c1/N=N/N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJCDTBLNLUNKH-VTXMHGDESA-N", "SMILES:COC(=O)CC[C@H](NC(=O)c1nnn(Cc2c(F)cccc2F)c1/N=N/N(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTZODVIQSZAVBJ-VHEBQXMUSA-N", "SMILES:CN(C)/N=N/c1c(C(N)=O)nnn1CCc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITODGCQKLBAECJ-WUKNDPDISA-N", "SMILES:CN(C)/N=N/c1c(C(N)=O)nnn1-c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRUJYLBKDMUNFN-ISLYRVAYSA-N", "SMILES:CN(C)/N=N/c1c(C(N)=O)nnn1Cc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDLHHFPDSNDFY-WUKNDPDISA-N", "SMILES:CN(C)/N=N/c1c(C(N)=O)nnn1Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGANATBQIIZDOJ-WUKNDPDISA-N", "SMILES:CN(C)/N=N/c1c(C(N)=O)nnn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KROBHOZAYSMUBU-FOCLMDBBSA-N", "SMILES:CN(C)/N=N/c1c(C(N)=O)nnn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLHZXGQXEDLLGR-WUKNDPDISA-N", "SMILES:CN(C)/N=N/c1c(C(N)=O)nnn1Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHRUQZSOYMPJH-WUKNDPDISA-N", "SMILES:Cc1ccc(Cn2nnc(C(N)=O)c2/N=N/N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQIFGOGSQNXMC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSQKAWHFBAQTA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKPXNLFXGWMNJO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYPUQCKVZOCBBU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)N3CCCC3)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZWXARYMRMJTH-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKEHKCVDAGRENR-MROCHPEUSA-L", "SMILES:CC1=CC2C(C(C)C)=C(O)C(=O)/C(=C\\NCCS(=O)(=O)[O-])C2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCS(=O)(=O)[O-])C(=O)C(O)=C2C(C)C.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWBHOFIEOJZVRT-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYDEFHBHCKLFX-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2c(C)c(O)c(O)c(C=O)c2COCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZRSFIOGIVAADH-JMPSBRMBSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(CO[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMJYWWLAJCDUML-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C)c(O)c(O)c(C=O)c2COCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFYCKRUQPYBEL-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SALBWRZBOYBZKM-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLAJFJYAROCDQ-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYCMYLNXRRDSTI-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccc(C(F)(F)F)cc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMSELQAQCAVBH-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWFHYPIZXQYOEG-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2cccc(C(F)(F)F)c2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJJXMUPSYGLFZ-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccc(F)cc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZKEUQZKBHIMJ-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2cccc(F)c2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNFVRYQEUYCDFJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(COCc2c(C=O)c(O)c(O)c(C)c2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHLEOZCSAOJRP-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLLTAWPICMGHS-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2C(F)(F)F)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKWQUNMFGLARCR-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccc(OC(F)(F)F)cc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEDBOAMHRDZPKT-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccc(F)cc2)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONNOLOPUYFFPW-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccc(F)cc2)c1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBZJLLZNDIZEFF-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2cccc(F)c2)c1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTPNWNFECRGPME-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2F)c1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZBDGJWAUEDQM-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccc(F)cc2)c1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQAMSGHQPHTLCI-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2cccc(F)c2)c1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPHMXNHWKSCCP-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2cccc(Cl)c2Cl)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWJPSHOVOUUNE-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(C(F)(F)F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKEXKPYNTARWRJ-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFKRBXMKDQCVTI-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(C(F)(F)F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIPVZEILLKFECB-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBYMEWFAOXNCQ-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEJMSQSARPJCRS-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(Br)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDHFYUURMGSJHJ-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYELYRFMMNYILX-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(O)c(C=O)c(COCc2cccc(F)c2)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXAUUFUOCZKJLZ-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFPTVRCEXSKQIM-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnn2c(-c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOVJLXFIJYJIH-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnn2c(-c3ccccc3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEASNOILUJUFML-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cccc2c(-c3ccccc3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKFMPQWYTOAJCQ-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cccc2c(-c3ccccc3)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRNMLPMOIADHFL-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c(-c3ccccc3)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWVOTTWEHRSZMP-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c(-c3ccccc3)noc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3696099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQORIDVPVHCIRH-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cccc2c(-c3ccccc3)noc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHFJQPPHXIADS-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cccc2c1OCCN2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUQRMZSKAQZUKG-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMCTAONQCBFLT-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NILJZJWXIASHCA-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2-c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWDWUSOSVAQMU-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQZAEKRVHKTNT-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQVWYTLYAHUHRC-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2ncc3c(-c4cnccc4C)ccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZUKZWUQQSCTRU-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2-c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPUIWRXERCXJEB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1ncc2c(-c3cnccc3C)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSQMDYWCWBCSB-UHFFFAOYSA-N", "SMILES:COc1c(F)cccc1-n1ncc2c(-c3cnccc3C)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHPWWJZAABEVHT-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PATVIGDEBPZBCP-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2-c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPKSKBSAVJROL-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2-c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZOGQOVXHKJMP-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccnc2c1cnn2-c1ncccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFEMPGINTWTZJM-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1ccnc2c1cnn2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQKGRFNKMPRFD-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2ncc3c(-c4cccnc4)ccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSRFQZJORYVHTI-UHFFFAOYSA-N", "SMILES:COc1ccncc1-c1ccnc2c1cnn2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYLZRQKBFHYXMH-UHFFFAOYSA-N", "SMILES:Nc1ccncc1-c1ccnc2c1cnn2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVSKJAZBGCGII-UHFFFAOYSA-N", "SMILES:Nc1ncncc1-c1ccnc2c1cnn2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJEQDTPWQASKCY-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2ncc3c(-c4cncnc4N4CC(F)(F)C4)ccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKLIVANDMDXUBH-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2ncc3c(-c4cncnc4NCC(F)(F)F)ccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEUAVSKOBJXCNE-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2ncc3c(-c4cncnc4NC4CC4)ccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHBCFZVFFYZFRB-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2ncc3c(-c4cncnc4C4CC4)ccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUVIYEWZWGOJGZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2ncc3c(-c4cncnc4C(F)(F)F)ccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXOVKZXDYJVLY-UHFFFAOYSA-N", "SMILES:Cc1ncncc1-c1ccnc2c1cnn2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDCKYRZIPLGNHK-UHFFFAOYSA-N", "SMILES:Nc1ncncc1-c1ccnc2c1cnn2-c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVZHITSFSGQKAA-UHFFFAOYSA-N", "SMILES:Nc1ncncc1-c1ccnc2c1cnn2-c1ccc(F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDVXFCABIBZQOF-UHFFFAOYSA-N", "SMILES:Nc1ncncc1-c1ccnc2c1cnn2-c1c(F)cc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUUXYRMPAZBAAU-UHFFFAOYSA-N", "SMILES:Nc1ncncc1-c1ccnc2c1cnn2-c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOAUXFIKYAXLLY-UHFFFAOYSA-N", "SMILES:Nc1ncncc1-c1ccnc2c1cnn2-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZIARSQCYLERX-UHFFFAOYSA-N", "SMILES:Nc1ncncc1-c1ccnc2c1cnn2-c1ncccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPSJYNRBQSWYJB-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2ncc3c(-c4cncn5cccc45)ccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVETVMJFBWQKBL-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCOCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNXNWXNKHWSBU-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCOCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAOJBGHBXLWHHD-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCOCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZZXUFVDJETRV-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKOBDJLYRLKBP-UHFFFAOYSA-N", "SMILES:O=C1Cc2ccc(cc2)OCCOCCOCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBLHOKTIHIAJP-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCOCCOCCOCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2nnc(s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFUVKMHLNWGIS-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCOCCOc2cccc(c2)CC(=O)Nc2ccc(nn2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEJVPRANQBRJHR-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCOCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOAOWZYSRRUZJX-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCCCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBAOKLACUSUZCU-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCCCCCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXATCJPTOAFLA-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCCOCCCOc2cccc(c2)CC(=O)Nc2nnc(s2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUBLZKUWPDAGSB-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCCOCCCOc2cccc(c2)CC(=O)Nc2ccc(nn2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIIBXMYJJVQCG-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCOc2cccc(c2)CC(=O)Nc2ccc(nn2)CCCCc2ccc(nn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSOXQYCCGLOSK-UHFFFAOYSA-N", "SMILES:O=C1Cc2cccc(c2)OCCCOc2cccc(c2)CC(=O)Nc2ccc(nn2)CCCCc2cnnc(c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZRXYRDDIVSFDT-UHFFFAOYSA-N", "SMILES:CC1=Cc2cc3ncnc(Nc4ccc5scnc5c4)c3cc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHAUDIGYUFJTMA-UHFFFAOYSA-N", "SMILES:CC1=Cc2cc3nc(C)nc(Nc4ccc5scnc5c4)c3cc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFXFJXVNTGIXAE-UHFFFAOYSA-N", "SMILES:CC1=C(C)S(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDSNWDVHKVQIX-UHFFFAOYSA-N", "SMILES:CCOC1=C(C)S(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFGLGKJMKKUOIX-UHFFFAOYSA-N", "SMILES:CC1=CS(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGOLQKDWHOHSFK-UHFFFAOYSA-N", "SMILES:CCOC1=CS(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIQBPGSJFVMUDW-UHFFFAOYSA-N", "SMILES:COC1=CS(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLXUBPTILOLLP-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5scnc5c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNPIMHZFJOPYSC-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(c2ccccc2)c2cc3ncnc(Nc4ccc5scnc5c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTJSSCGKPBCIT-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(c2ccc(F)cc2)c2cc3ncnc(Nc4ccc5scnc5c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4596287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJLYDVMFNHZMLV-UHFFFAOYSA-N", "SMILES:CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCOP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFDOEZACDDPFFX-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1Nc1ncnc2cc3c(cc12)S(=O)(=O)C=C3C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPHRYSAHXAESM-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4cc(O)ccc4F)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANPQQMQQLGSSU-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4n[nH]c5ccc(F)cc45)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDPYOPMZYMEPY-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(Nc2ncnc3cc4c(cc23)S(=O)(=O)C=C4C2CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDHPEYXLZTGQO-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5cc[nH]c5c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMICKDIOTPQZMT-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5nc[nH]c5c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJRNWZJSIBVCAY-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5nn[nH]c5c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVVSJGFSBOUTQC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBIZQGRNRHNYFE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBGDQYHRGGXOGN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGSRURALHADGHE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJXDTLCWUFYVIB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1ccc2OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGNRLSVNVHHACI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1ccc2OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZQVBVJVPVPNFS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1ccc2F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTAGECWGKNBMLO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1ccc2F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOKMYZVCLTWDU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1c(OCCCF)cc2F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MASVXNVQOMUHQU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1c(OCCCF)cc2F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWZTJZEYHDOIP-UHFFFAOYSA-N", "SMILES:N=C(N)NCCP(=O)(O)CP(=O)(O)O"]}
{"name": "Isopentenyl-diphosphate Delta-isomerase", "xref": ["CHEMBL.TARGET:CHEMBL5291513"], "id": "UniProtKB:Q46822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPMCBFPMORFWAY-UHFFFAOYSA-N", "SMILES:CN(C)CCCP(=O)(O)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFQWAYKVRWVMQU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)CCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1189029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNLLIWHXXVTKU-UHFFFAOYSA-N", "SMILES:N=C(N)NCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPRHOFASBBREV-WASYMBJWSA-N", "SMILES:COc1cc2c(cc1OC)/C(=N\\NC(=O)C(C)c1ccc(CC(C)C)cc1)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGGFKLZXIIMFI-WVVCCSDTSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)N/N=C1\\c3cc(OC)c(OC)cc3CC1CC1CCN(Cc3ccccc3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECMUWNFMHXRRG-YJKCNMNRSA-N", "SMILES:COc1cc2c(cc1OC)/C(=N\\NC(=O)c1ccccc1OC(C)=O)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWOSIGYTTVABX-POZMXKMPSA-N", "SMILES:COc1ccc2cc([C@H](C)C(=O)N/N=C3\\c4cc(OC)c(OC)cc4CC3CC3CCN(Cc4ccccc4)CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUEAHYMDXCXIOO-CWAJCWQHSA-N", "SMILES:COc1cc2c(cc1OC)/C(=N\\NC(=O)CNC(=O)C(C)c1ccc(CC(C)C)cc1)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFVRGDZYGPOTOS-MBJURZOESA-N", "SMILES:COc1cc2c(cc1OC)/C(=N\\NC(=O)CCNC(=O)C(C)c1ccc(CC(C)C)cc1)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNNHTVFAVRIPN-ZJWNILRBSA-N", "SMILES:COc1cc2c(cc1OC)/C(=N\\NC(=O)C(NC(=O)C(C)c1ccc(CC(C)C)cc1)C(C)C)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPRDUHMXZHAPRQ-INXUWUOZSA-N", "SMILES:COc1cc2c(cc1OC)/C(=N\\NC(=O)C(CC(C)C)NC(=O)C(C)c1ccc(CC(C)C)cc1)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNSZXVFWZVNAW-LCUIJRPUSA-N", "SMILES:COc1cc2c(cc1OC)/C(=N\\N)C(CC1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERMVNHOXJETSC-UHFFFAOYSA-N", "SMILES:CCCc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPQBKGWIPWVRW-UHFFFAOYSA-N", "SMILES:Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWQOWTXQUXWSTE-UHFFFAOYSA-N", "SMILES:CCc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQVPQBWEJOKOX-UHFFFAOYSA-N", "SMILES:CC(C)c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXGLWWSIDPSKTO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4cc(C5CC5)n(-c5cccc(N=S(C)(C)=O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJISOZBVZGJASE-UHFFFAOYSA-N", "SMILES:COCc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSMWULZAUWEOZ-UHFFFAOYSA-N", "SMILES:CCCc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBTBZRBTLWOLIA-UHFFFAOYSA-N", "SMILES:Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAMYDSSWYFKVKC-UHFFFAOYSA-N", "SMILES:CCc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGBVPYGAUDLJB-UHFFFAOYSA-N", "SMILES:CC(C)c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOKQNWOVZXEACS-UHFFFAOYSA-N", "SMILES:CCCc1cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCWYJRYYPLCOC-UHFFFAOYSA-N", "SMILES:CCCc1cc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGOIZEJUXOVDTI-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc5cc(C6CC6)n(-c6cccc(N=S(C)(C)=O)n6)c5n4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBDKRBWTFAWENX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4cc(C5CC5)n(-c5cccc(N=S(C)(C)=O)n5)c4n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXNXXWSBKNTVFP-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc5cc(C6CC6)n(-c6cccc(C(C)(C)O)n6)c5n4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWEDEPCAYFMTQR-UHFFFAOYSA-N", "SMILES:CCCc1c(F)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGNLUXCAISBFW-UHFFFAOYSA-N", "SMILES:CCCc1c(F)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCQRJIYNJGYHOZ-UHFFFAOYSA-N", "SMILES:CCCc1c(F)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWNXMYDNPMUGIK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(F)c(C5CC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJHTRYPMWVSNX-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc5c(F)c(C6CC6)n(-c6cccc(C(C)(C)O)n6)c5n4)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5192067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHYQVNSQHJHEQK-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4ncc5c(F)c(C6CC6)n(-c6cccc(C(C)(C)O)n6)c5n4)cc3F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095192", "category": ["biolink:ChemicalEntity"], "name": "PF-06952229", "xref": ["InChIKey:IPBLCOKXDQHSQW-UHFFFAOYSA-N", "SMILES:CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC(CO)CO"], "synonym": ["Pf 06952229", "Pf-06952229", "PF06952229"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKIXSZMERZEPZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUHKZJJABPGQSQ-UHFFFAOYSA-N", "SMILES:CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYYETCFCIAZSC-UHFFFAOYSA-N", "SMILES:CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRMTEVRIGIXES-UHFFFAOYSA-N", "SMILES:CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUEXAZBTGAWZAZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJKNBYBEJYUUHW-UHFFFAOYSA-N", "SMILES:CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POMBIFQUJUHXAV-AWEZNQCLSA-N", "SMILES:CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@@H](C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZVPITOQWJPGIA-AWEZNQCLSA-N", "SMILES:CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRZWWGSQJZWFS-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSRJSICZUBQJU-UHFFFAOYSA-N", "SMILES:CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCCNS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXVGKIGQHWUBG-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRRMJZAHWRNMNW-INIZCTEOSA-N", "SMILES:CC[C@@H](CO)NC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEFPFCSTSMYJB-YFKPBYRVSA-N", "SMILES:CC(C)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBCUDTYMHWIDK-YFKPBYRVSA-N", "SMILES:O=C(N[C@@H](CO)C(=O)O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHEXVKPATGVXEL-BYPYZUCNSA-N", "SMILES:CN(C)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LENNEKIRYSQQJD-YFKPBYRVSA-N", "SMILES:C=C(C)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQPSZVSDNWWGT-VKHMYHEASA-N", "SMILES:COC(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRRSLWDTWADOD-LURJTMIESA-N", "SMILES:O=C(O)[C@H](CO)NC(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUMUQWHIPHIJPR-BYPYZUCNSA-N", "SMILES:O=C(CCO)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPWPNCPKNIUQB-BYPYZUCNSA-N", "SMILES:CC(C)(O)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYTYNACYRCCYQA-VKHMYHEASA-N", "SMILES:COC(=O)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTWNTRJTNWAMJX-REOHCLBHSA-N", "SMILES:NC(=O)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METHPNABYUCZBM-UHFFFAOYSA-N", "SMILES:CC1Oc2ccc(I)cc2C=C1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZZLLMMHHJSMK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(I)ccc2OC1C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNDIAXXKPYXIW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(F)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZKIMVRXOFRAQO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZBXJIZZGNTCAW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(C#Cc3ccc(O)cc3)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMAGHFXHRJCHRS-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(C#Cc3ccc(CO)cc3)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQNHXRNYXCGVOQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(C#Cc3ccc(F)cc3)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZHSWJVTHNQNX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(C#Cc3ccc(Cl)cc3)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPULFSRRVIRPQW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(C#Cc3ccc(C(F)(F)F)cc3)ccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMDGSLVBHUNIB-HWKANZROSA-N", "SMILES:COC(=O)/C=C/c1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRMJQAOCUNERW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2c(Cl)cccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDAXKSDWJHMAT-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2c(I)cccc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMQBWGZWPFQTI-UHFFFAOYSA-N", "SMILES:CC[Si](C#Cc1cccc2c1C=C([N+](=O)[O-])C(C(F)(F)F)O2)(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJYRFDZPGMGJGU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2ccc(Cl)cc2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZKZZLPMBCGDIM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cccc(Cl)c2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINSXVBMFZOPDW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cccc(I)c2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHIRLDQLFPQTJC-UHFFFAOYSA-N", "SMILES:CC[Si](C#Cc1cccc2c1OC(C(F)(F)F)C([N+](=O)[O-])=C2)(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYFAOYSXNIGVOR-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(F)cc(F)c2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOKNFZNJYTWOQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=Cc2cc(F)cc(Br)c2OC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZVGSWUAQQALY-UHFFFAOYSA-N", "SMILES:CC[Si](C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C1CC1)O2)(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDRBLGAYZLMEGP-UHFFFAOYSA-N", "SMILES:FC(F)(F)C1Oc2ccc(Cl)cc2-c2n[nH]nc21"]}
{"name": "P2Y purinoceptor 6", "xref": ["CHEMBL.TARGET:CHEMBL5291578"], "id": "UniProtKB:Q9ERK9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFDNIUVJLXQEX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCN(C(=O)CCCNC(=O)CCCC(=O)N(CC#N)S(=O)(=O)c3ccccc3)CC2)c(OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIVCDDCSGGZSG-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)c(COc2cccc(C=O)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEDJUAKXFJRZSG-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQCJHZNIFESNU-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)c(COc2ccccc2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5183849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOKKAMQZREOLG-XQNSMLJCSA-N", "SMILES:Cc1ccc(S(=O)(=O)/N=C2\\C=C(Sc3nc[nH]n3)C(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJBQASWPUALPOY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(C3CC3)c(Cl)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLYVMULYAYFYCD-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(COc2cnc(C3CC3)c(Cl)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279521", "category": ["biolink:ChemicalEntity"], "name": "PF-05241328", "xref": ["InChIKey:RVTSXVZXEGFIPW-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2cnc(OCC(C)C)c(Cl)c2)c2ccc(C(=O)NS(C)(=O)=O)cc12"], "synonym": ["Pf-05241328"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3707218", "category": ["biolink:ChemicalEntity"], "name": "FUNAPIDE", "xref": ["InChIKey:NEBUOXBYNAHKFV-NRFANRHFSA-N", "SMILES:O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2[C@]12COc1cc3c(cc12)OCO3"], "synonym": ["Funapide", "Funapida", "Funapide", "Tv-45070", "TV-45070", "XEN-401-S", "XEN-402", "XEN402", "XPF-002", "Funapide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJUYBNVEPPGSK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)OC(Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1813048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKAFHZJICDACE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQQXPTRMUYKUIC-RDTXWAMCSA-N", "SMILES:Cc1nn([C@@H]2CCN([C@H](C)c3cc(Cl)cc(Cl)c3)C2)c2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBPOTYVFWNSGS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(C(F)(F)F)ccc3Cl)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXQNEKJQBGXFAG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(F)cc(Cl)c2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANLDPIQLMLMNRA-CYBMUJFWSA-N", "SMILES:O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCCCNC[C@H]2CCCN2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMIUMADZIDOLF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-n2cc(CNc3ccc(N4CCC(O)CC4)c(C(=O)N4CCCCC4)c3)nn2)c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEDODHFPRFORDN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-n2cc(CNc3ccc(N4CCC(O)CC4)c(C(=O)N4CCCC4)c3)nn2)c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVNLBZDKGHSKPK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-n2cc(CNc3ccc(N4CC(O)C4)c(C(=O)N4CCCCC4)c3)nn2)c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJVVGPNRRCEWFD-UHFFFAOYSA-N", "SMILES:CNCc1cn(-c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKAAFQHJGCVXBL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NCc3cn(-c4cccc(NC(=O)c5cc(F)cc(F)c5)c4)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUYSOVWQASPQA-LAUUFCHVSA-N", "SMILES:Cc1c(-c2ccccc2)cccc1N1C(=O)c2cc(CN[C@H](C(=O)O)C(C)O)c(OCc3cccc(C#N)c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIRCAZHIVHVPY-SANMLTNESA-N", "SMILES:C=CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@H](C(=O)NCCc1cccc(F)c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROSKNTUYSPHGX-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cccc2c1CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZJDTYZIHCOMMO-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVCYGQVRUNWVOI-VMXHOPILSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)OCc3ccccc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBCPHEXAYKLYSQ-LFBFJMOVSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZPPNWVDUAIPFK-IDISGSTGSA-N", "SMILES:C[C@H](NC[C@@H](c1cccnc1)N(C(=O)C(Cl)Cl)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEPMZCGQCVRDF-IDISGSTGSA-N", "SMILES:C[C@H](NC[C@@H](c1cccnc1)N(C(=O)C(Br)(Br)Br)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJJPCRHOHYRIJX-UXHICEINSA-N", "SMILES:O=C(NCCc1cccc(F)c1)[C@@H](c1cncnc1)N(C(=O)[C@H](F)Cl)c1ccc(S(F)(F)(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXWDDQJFYNJUCB-HVTWWXFQSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRZKNOAEKYJPI-IHPCNDPISA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFYODHDNARQKEF-SJZJPLIYSA-M", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-])OCc1ccccc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKDRBNCVDMTCL-OPOLGWMESA-M", "SMILES:CC(C)C[C@H](NC(=O)OCc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRBKTXDEJWTOO-HHSPJAECSA-N", "SMILES:COc1ccc(OCC(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)C3(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUAZJPLYYVHKFN-NAFADOBPSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJKOHDJUKCNRG-ZEAPZOAHSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIRCAZHIVHVPY-AREMUKBSSA-N", "SMILES:C=CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@@H](C(=O)NCCc1cccc(F)c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVUQOIRXYABFV-QGZVFWFLSA-N", "SMILES:O=C(CCl)N1N=C(c2ccccc2)C[C@@H]1c1cccc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSLSCLNRDDNCB-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1N=C(c2cc(Cl)ccc2F)C(c2ccccc2)C1c1ccc2nccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDPTWNRDSEZQH-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)NC(=O)C(F)(F)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDPMNGSSFLFBSI-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cccc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBAQTKMASRCMG-RLHFQTHOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVWMBFPIAQRHK-VXKWHMMOSA-N", "SMILES:CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBQMVUCCVWDEJ-PGTXEGAYSA-N", "SMILES:CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGQJONUGQUQMN-MOKQZDJKSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXGIQTGYEVOOOM-CATZNBOOSA-N", "SMILES:CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVDBWERONBFVRQ-LMIIKYDLSA-M", "SMILES:COc1ccc(-c2sc3n(c(NC(C)(C)C)c4[n+]3[C@H]3CC(=O)C=C[C@H]3OC4)c2-c2ccc(OC)cc2)cc1.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDZXSHDKBKYQKJ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEYMPTGVGRACKD-JKSUJKDBSA-N", "SMILES:COc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOZYRYXEKZKPMB-GFCCVEGCSA-N", "SMILES:COc1ccc2cc([C@@H](C)C(=O)Oc3cncc(Cl)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNCPYHNWMSLFFV-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Oc2c(C)cccc2C(=O)Oc2cncc(Cl)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWQXYXVYDDJKSY-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2[se]c3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWCODYRVBTZGK-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cn2[se]c3ccccc3c2=O)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUIRLIWNBIUATO-UHFFFAOYSA-N", "SMILES:COc1cncc(Cn2[se]c3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWKXIFLMYRVTK-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3916514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOMBMAZVMBPWSN-UHFFFAOYSA-N", "SMILES:CC(C)CCn1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTTHESNNWLOVLD-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDKKYMUTOBLNC-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL416639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UALOUGGZTAKDCT-UHFFFAOYSA-N", "SMILES:CCCCCn1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1716371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTVWLTBJRNEJDC-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Br)ccc2sn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIZJCCSHWQPAPU-UHFFFAOYSA-N", "SMILES:CC(C)CCn1sc2ccc(Br)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2008925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVQGDECFIIBKAY-LBPRGKRZSA-N", "SMILES:N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2cc3c(cc2-4)oc2ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4302089", "category": ["biolink:ChemicalEntity"], "name": "T-817", "xref": ["InChIKey:HQNACSFBDBYLJP-UHFFFAOYSA-N", "SMILES:OC1CN(CCCOCCc2ccc3sccc3c2)C1"], "synonym": ["Edonerpic", "Edonerpic", "J2.972.359A"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL227072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVRVXSZKCXFBTE-KPVNRNJOSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OCC[18F])CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWGKBVGXDDWKEJ-RGEMYEQESA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(OC)c([123I])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGYIBDXSUNKMV-UHFFFAOYSA-N", "SMILES:O=c1sc2cc(CCCF)ccc2n1CCN1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQRKFCLRMMKAT-UHFFFAOYSA-N", "SMILES:CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBLIQJGXRLZBCZ-UHFFFAOYSA-N", "SMILES:CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BANMEAHPJHZJKZ-JEBQAFNWSA-N", "SMILES:CC(C)=CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL305881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQHKZUBCUZVZEF-UHFFFAOYSA-N", "SMILES:O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHRCDWVPTULQMT-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLWNPOFKPUZCM-UHFFFAOYSA-N", "SMILES:C1=C(c2c[nH]c3ncccc23)CCN(CCCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMRDSKZJHMVPGI-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4792070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYKJVLTXPNIGOV-KTKRTIGZSA-N", "SMILES:CCN(C/C=C\\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4297605", "category": ["biolink:ChemicalEntity"], "name": "ROLUPERIDONE", "xref": ["InChIKey:RNRYULFRLCBRQS-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC(CN2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1"], "synonym": ["Roluperidone", "Roluperidona", "Roluperidone", "FMI", "MIN-101 FREE BASE", "Roluperidone"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITHCLWWRWXBDJ-FQEVSTJZSA-N", "SMILES:CN1C(=O)CCc2cc(CNC(C)(C)[C@@H](O)c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUWKETXXFSWBN-SFHVURJKSA-N", "SMILES:CCN1CCN(Cc2cccc3ccccc23)[C@@H](CCO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUWKETXXFSWBN-GOSISDBHSA-N", "SMILES:CCN1CCN(Cc2cccc3ccccc23)[C@H](CCO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJVYRBGCPGOSX-SANMLTNESA-N", "SMILES:OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJVYRBGCPGOSX-AREMUKBSSA-N", "SMILES:OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUABCMYWOYJHGI-TYKWCNGQSA-N", "SMILES:COc1cccc(OC)c1[C@H]1CC[C@@H](N2CCN(C3CCCCC3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYNAAQKVKRSFKL-IZAXUBKRSA-N", "SMILES:Fc1cccc(F)c1[C@H]1CC[C@@H](N2CCN(C3CCCCC3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHGOISOQOFNHB-MOPGFXCFSA-N", "SMILES:CCCCCCNCC[C@H]1CCC[C@@H](c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHGOISOQOFNHB-RBUKOAKNSA-N", "SMILES:CCCCCCNCC[C@@H]1CCC[C@H](c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTGDRZWKJSEQS-UHFFFAOYSA-N", "SMILES:c1ccc(CNCCC2CCNC(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSPGWIIFZHTQQ-UHFFFAOYSA-N", "SMILES:CCCCCCCNCCC1CCN(C)C(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSCUEWWTGBLHV-UHFFFAOYSA-N", "SMILES:CN(CCC1CCN(C)C(c2ccccc2)C1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMMGSSDPMICNSD-UHFFFAOYSA-N", "SMILES:CN1CCC(CCN2CCN(c3ccccc3)CC2)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVILEILDGBDLPJ-UHFFFAOYSA-N", "SMILES:CN1CCC(CCNCc2ccccc2)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFYUFTSYYMYPCG-UHFFFAOYSA-N", "SMILES:c1ccc(CC2CCN(CC3CSC4(CCCCC4)S3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGBVFDRZRIBNNL-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(CC3CSC4(CCCCC4)S3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZOBVLJWIXXND-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c(O)c(C(=O)NCc2ccc(-c3ccccc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAYVOTYJJPROOM-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c(O)c(C(=O)NCc2ccc(-c3ccc(C#N)cc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQVLOPBRNWYJSU-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACZGYFEWPTMFL-NRFANRHFSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3cc[nH]n3)cn2)o1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZIXSBJABRBDBO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)Nc1c[nH]c2cccnc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYFGKGWSERUYJZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCc4c([nH]c5ccccc45)C3C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460657", "category": ["biolink:ChemicalEntity"], "name": "ELAIDIC ACID", "xref": ["InChIKey:ZQPPMHVWECSIRJ-MDZDMXLPSA-N", "SMILES:CCCCCCCC/C=C/CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHDQGJNUVNKDR-JVDGLJCLSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NNC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)[C@@H](CC(=O)NO)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLNEOSGHAJOIA-UHFFFAOYSA-N", "SMILES:CCn1c(Cn2cc(-c3ccccc3)nn2)nn(CN2CCN(Cn3nc(Cn4cc(-c5ccccc5)nn4)n(CC)c3=S)CC2)c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJGJADWNMBMAR-UHFFFAOYSA-N", "SMILES:S=c1n(CN2CCN(Cn3nc(Cn4cc(-c5ccccc5)nn4)n(-c4ccccc4)c3=S)CC2)nc(Cn2cc(-c3ccccc3)nn2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPWFBPXKOLBJT-UHFFFAOYSA-N", "SMILES:c1cc2nc(c1)CNCCNCCNCCNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAASYDUGIUEMNE-UHFFFAOYSA-N", "SMILES:c1cc2nc(c1)CNCCNCCCNCCNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL574539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYCRDPLPKGSME-MEVLSXKGSA-N", "SMILES:[3H]c1ccc([C@H](C)N/C(=N/C#N)Nc2cccc3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSBKNRQYCQXMO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(Cl)cc(C/N=C(\\N)NC(=O)Cn2ccc3ccc(C#N)cc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFAJAWNTZHFNRO-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(OCc3ccccc3)c2)cc(-c2ccc(Cl)cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRLXROZFLVKOV-BIZUNTBRSA-N", "SMILES:O=[N+]([O-])c1ccc(-n2cc(COc3ccc(/C=N/Nc4nnc(-c5ccccc5)c(-c5ccccc5)n4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAQDGEUMJZWRKZ-CIAFOILYSA-N", "SMILES:C(=N/Nc1nnc(-c2cccs2)c(-c2cccs2)n1)\\c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEYJVEUIZHKKDD-UHFFFAOYSA-N", "SMILES:N=C(Nc1cnc(F)c(F)c1)Nc1cnc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRUDZWOELKQDJW-UHFFFAOYSA-N", "SMILES:Cn1cc(Br)cc(N)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHCVSNORATRFD-UHFFFAOYSA-N", "SMILES:CN1CCNc2c1ccn(C)c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMODTPUUQNUXAG-UHFFFAOYSA-N", "SMILES:Cn1cccc(NCC2CCNCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXOSEJJIEIDOLF-UHFFFAOYSA-N", "SMILES:Cn1ccc(NCc2ccccn2)c(N)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3347523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRVAHOSWLWYPO-QJUVDKAYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOAVWWDPGVKPJ-CPIYQPHESA-N", "SMILES:CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLAJOEFINXQNHO-CPIYQPHESA-N", "SMILES:CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMWZRHRZQLQHV-AJIIGFCHSA-N", "SMILES:CCCCCCCCCCCCCCCc1cc(-c2cn([C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)nn2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFOLIOVASKDWPW-DTQWAIELSA-N", "SMILES:CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2N)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHOHJQIXUMOHW-URYJJRPLSA-N", "SMILES:CCCCCCCCCCCCCCCc1cc(-c2cn([C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3N)nn2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDYISMFCJKSRS-BGPJRJDNSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nccn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIOIFHLCVBHRV-QNWHQSFQSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(Cc3ccccc3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWZRCQFQJWGLR-RFQIPJPRSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccccc3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCWPODACGNYCEE-LJISPDSOSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCCc3ccccc3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZSIPXVQPVTVNE-RFQIPJPRSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(C(F)(F)F)cc3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNROPIQWKMFCI-RFQIPJPRSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3cccc(C(F)(F)F)c3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOVMMPALDCRQAJ-RFQIPJPRSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccccc3C(F)(F)F)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDGJYIZLEAJFGA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZZBHCFILUJIL-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHOZJHIYUZQILN-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCC3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEFOGSFLWGBHY-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQAWHHJRUZJKLO-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQVLRFJWVPNLD-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)NCc1ccccn1)CCCC2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNNTVBLGPXLQW-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGUQFSTCVPSCN-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)NCc1ccncc1)CCCC2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOEPDGYQOBXTOD-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLVVUTURZQPGI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNGHCKUTSQWMF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1c(NC(=O)c3cccnc3)sc3c1CCCC3)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRGREZFZTRQKTB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPFVQUHOLZNTG-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCC2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKUAOTTYBJYTD-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCCC3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPXQUDJLJXULP-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOHRXXPPZUBUTG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(N2CCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDNLJYKMLKVSLA-UHFFFAOYSA-N", "SMILES:CC(=O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(C)c5)cc4)csc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPPDBTPNBIGBJJ-WGSAOQKQSA-N", "SMILES:COCCO[C@H]1CC[C@H](n2nc(-c3ccc(Nc4nc5cc(Cl)cc(F)c5o4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHOAXRUPDAXQRL-UHFFFAOYSA-N", "SMILES:CCc1ccc(OC(F)(F)F)cc1CC(=O)N1CCc2cc(-c3nn(CC)c4ncnc(N)c34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLAOUOGXJZRUQP-UHFFFAOYSA-N", "SMILES:CCc1ccc(OC(F)(F)F)cc1CC(=O)N1CCc2cc(-c3cn(CC)c4ncnc(N)c34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJNMGYVDQIKLM-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nnn(CCCO)n2)cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKMWPAFOYDFKKO-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2ccc(CCNc3ncnc4ccc(F)cc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZGUAIOZBSMYJK-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccc(CCNc3ncnc4ccc(F)cc34)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLGXBGGASXSIW-GPPJZCFZSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)cn2)cc1Nc1cccc(C(=O)NC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIUHRAUFHIFFF-VLKVFRPQSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc(C(=O)NCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)cn2)cc1Nc1cccc(C(=O)NC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYKZIZGHSUMTGL-FGUOTCRGSA-N", "SMILES:CNC(=O)c1cccc(Nc2cc(Nc3ccc(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)cn3)ncc2C(N)=O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQBPERKIXUCCNQ-DXGZDBETSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBKKKDQKSNBDPK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(=O)NC)c1OC"]}
{"name": "Muscleblind-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1293317"], "id": "UniProtKB:Q9NR56", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1710607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECMNZNMEOFMGF-UHFFFAOYSA-N", "SMILES:Cc1cc2ccccc2nc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHURYCZIGJYZPP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2nc3c(c(-c4ccccc4)c2N)c(=O)oc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBXZZFQGWIPRD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2nc3c(c(-c4ccccc4)c2N)c(=O)oc2ccc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTNKAMSWIPHJW-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(C)c2sc(N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTSXJPLARKXKFV-UHFFFAOYSA-N", "SMILES:CN(C)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKYEBOGFSAQOL-UHFFFAOYSA-N", "SMILES:Cc1cccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSAKPDAUAYJLDY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIOVDVMLQGCBA-UHFFFAOYSA-N", "SMILES:CCCc1cc(OC(=O)c2ccccc2F)n(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENRDHOMCDRNAK-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)N2N=C3CCCCC3C2(O)C(F)(F)F)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKGWUHIOEVNNPC-LURJTMIESA-N", "SMILES:CCOC(=O)[C@@H](N)CCCNC(=N)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRLUIRQIGNFSI-MUUNZHRXSA-N", "SMILES:Cc1ccc(C(=O)N(CCCN)[C@@H](C2=Nc3cc(I)ccc3CN2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1516388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOHNDKHQHVLKA-UHFFFAOYSA-N", "SMILES:CC(=O)O.Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGPBBDPVIHTCB-MVIQNQGDSA-N", "SMILES:C=C1C(=O)O[C@@H]2C/C=C(\\C)CC3C=C(C[C@H](OC(=O)/C(C)=C\\C)[C@@H]12)C(=O)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQQITSXTVXFAJM-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(CCc1coc3ccc(Br)cc3c1=O)n2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKHDAGXMCWGFS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(CCc1coc3ccccc3c1=O)n2Cc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRQNJMNGGSFLQF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(CCc1coc3ccc(F)cc3c1=O)n2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXCWAAKUKNXUNL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(CCc1coc3ccc(Cl)cc3c1=O)n2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUIAPFXAPUUWII-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(CCc1coc3ccc(I)cc3c1=O)n2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYAIRFCYUWSPI-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(CCc3nc4cc(C)ccc4n3-c3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXYDDJNLJOZZOO-IZZDOVSWSA-N", "SMILES:O=c1c(/C=C/c2nc3cc(Cl)ccc3n2-c2ccccc2)coc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3110021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYWCXCBMYMFPTR-KZNAEPCWSA-N", "SMILES:O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MREATSZIGJDNKB-HLIPFELVSA-N", "SMILES:O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(F)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCFQCWKQTHPOBR-UHFFFAOYSA-N", "SMILES:O=C(NO)C(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJAMXBPNZSQSOR-QWRGUYRKSA-N", "SMILES:C[C@H]1CCCN1[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZUBDKIROJPQGE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYHLCQLLVPWJM-QHAWAJNXSA-N", "SMILES:O=C(O)[C@H]1CCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGKNODSVVKCLBP-HSALFYBXSA-N", "SMILES:O=C(O)[C@H]1CCC[C@H]1C(=O)N1CCc2c(O)cccc2[C@H]1CN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKHZAIDUQWQQU-UHFFFAOYSA-N", "SMILES:Nc1ccc2cnnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1"]}
{"name": "UBX domain-containing protein 11", "xref": ["CHEMBL.TARGET:CHEMBL5291603"], "id": "UniProtKB:Q5T124", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYEYECDQYYMERR-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cc(C(=O)NCCO)cc(C(=O)N(CCCO)CCCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3526575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOZLMMDVJOGGEQ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(CN3CCCCC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDPBMCKQJOZAQX-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL139909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBKZYGNMKXYQE-UHFFFAOYSA-N", "SMILES:NC(CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBRKMOHDGFGXLN-BQBZGAKWSA-N", "SMILES:O=C(O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVPSYCVUOIXCH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPKQDTLLVVTZQT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(OC3CC3)c(Cl)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFPBQYIKXKLNF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAKBZGQGRIHKEQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccc(OC)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVYJVRZPFRADU-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTEDFSIIEDNHLZ-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N)cc3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGNKYRTVBHREGA-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2cc(-c3[nH]cnc3-c3ccc(F)cc3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOELZIQOLWZLQC-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1"], "synonym": ["SK&F-86002", "SK-86002"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJKGORBZVWDVRY-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWXBCDASDHBCA-UHFFFAOYSA-N", "SMILES:COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPJNVHSJLHVKBI-LUAWRHEFSA-N", "SMILES:CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S/C=C\\C(=O)O)n2CC2CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVBXQJUJOCLPLK-QBFSEMIESA-N", "SMILES:COC(C)CC(C)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S/C=C\\C(=O)O)n2CC(OC)OC)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAJOBNJTLWHURK-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(NC(=S)Nc4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)cc3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVMRYWDKSNEROE-UHFFFAOYSA-N", "SMILES:O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)Nc3ccc(Nc4cc(-c5[nH]cnc5-c5ccc(F)cc5)ccn4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSBAAXRYHTMOX-UHFFFAOYSA-N", "SMILES:CC(C)C(C)Nc1cc(-c2[nH]c(SCCO)nc2-c2ccc(F)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSSUHQZFWVQCSA-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2[nH]ncc2-c2ccncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFSLBAIXMNNCL-UHFFFAOYSA-N", "SMILES:FC1(F)CCC(Nc2nccc(-c3cn[nH]c3C3(C(F)(F)F)CC3)n2)CC1"]}
{"name": "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform", "xref": ["CHEMBL.TARGET:CHEMBL2498"], "id": "UniProtKB:P32871", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZMQKJLWFWWDG-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(C(=O)C4CCC4)CC3=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGSGJXYLHDMBA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NNC(=O)c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NELCXEWHJNTFLI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCC4OCCO4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MECMVUIPPJEYFL-UHFFFAOYSA-N", "SMILES:CN1CCN(C(C(=O)N2CCN(c3ncnc4[nH]cc(Br)c34)CC2)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPDSADGKXLOVPB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ccc(C(=O)NO)cc4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKQDMVFQZHPJZ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCCC(=O)NO)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3683575", "category": ["biolink:ChemicalEntity"], "name": "ROGINOLISIB", "xref": ["InChIKey:NFHSJYKXENYICE-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccc(CN3CCOCC3)cc2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1"], "synonym": ["Roginolisib", "Roginolisib", "Roginolisib", "Ioa 244", "Msc-2360844", "Roginolisib", "IOA-244", "IOA244", "MSC2360844"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802156", "category": ["biolink:ChemicalEntity"], "name": "VEVORISERTIB", "xref": ["InChIKey:NZDSLYATTDIDPH-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1"], "synonym": ["Vevorisertib", "Vevorisertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDTRPZUYLDIREH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc(C)c(=O)[nH]c5-c5ccccc5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWRGCGZPRWFTG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5[nH]c(=O)c(C)nc5-c5ccccc5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPSKJOBRAWBJI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)NCC(=O)N2CCN(c3nc(-c4cnc(N)nc4C(F)F)nc(N4CCOCC4)n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQXALALSPTWDRV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C(=O)N(C)CC(=O)N2CCN(c3nc(-c4cnc(N)nc4C(F)F)nc(N4CCOCC4)n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJOLWXGBWYRJFF-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(-c3ncc(CN4CCN(C(C)C)CC4)o3)c3cn[nH]c3c2)cc1C(=O)Oc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRZUIJSMNTBTJ-DZTXLMLESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBISIPKUKNJKU-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2cnn(Cc3ccc(Br)cc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXALUOVHERVPSO-UHFFFAOYSA-N", "SMILES:Cc1c(OCCC2CCCCN2)ccc2cc(NC(=O)Nc3ccc(Cl)cc3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMUFQMFQCOVMK-UHFFFAOYSA-N", "SMILES:CCC(C)n1c(C(=O)NC2CN=C(C(=O)NC)N(CC(C)C)C2=O)ncc(NC(=O)c2ncc(NC(=O)c3ccccc3)c(=O)n2Cc2ccc(OC)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWQSXVBFMUCWSR-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(CCN(C)C)N(C)C(CCN(C)C)=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2008313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYQMLZSYZKXGX-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)NCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CNC(C)(C)CC(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFDRAKHPQYJGI-UHFFFAOYSA-N", "SMILES:COc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCXKTMBKDOTZSN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKJRQOCKMSRCOH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4c(cn3)ncc(=O)n4-c3ccc(CN)cc3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTJRBHYCRPKFZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4c(cn3)ncc(=O)n4-c3ccc(N)cc3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVAZIICKRXSCC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4c(cn3)ncc(=O)n4-c3cccc(N)c3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGIMJFQLSQTEB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCN(C)CC5)cn4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKMZEXMGMODIJV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4c(cn3)ncc(=O)n4-c3ccc(NS(C)(=O)=O)cc3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVADPAUWGRTMAG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4c(cn3)ncc(=O)n4-c3ccc(N(C)C)cc3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVIBRIAMFEXMO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4c(cn3)ncc(=O)n4-c3ccc(N)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPKKDKAWIWPGOV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHODDIAZXSMFAB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ccc4ncc(=O)n(-c5ccc(N)cc5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFBBZBKFUGWBG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ccc4ncc(=O)n(-c5ccc(N)cc5)c4n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUJVFNVUHCYBO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJALAKEKQPFSX-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2cnc(Nc3cc4c(cn3)ncc(=O)n4-c3ccc(N)cc3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOGUJRFFQFGOR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCN(C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPNYWWAISYCNE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCN(C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZSKQVNTLWRLW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cnc(Nc3cc4c(cn3)ncc(=O)n4-c3ccc(N)cc3)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPXHOLVGRDPLQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCN(S(C)(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCDFJOMFNTRJV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPQJEPUQNPLOCR-CALCHBBNSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOQUABMQRRLHM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCSCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCFODIWVHZXJF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1NC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRLWSUMWAJLDF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEAPLZEOARDSG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSQRDTGDOMJJLV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKAQJWXMJAMFS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRXWTHFFXILIPD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(Cn2cncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMKZYHJMXTXHDZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUJQFXYONMWKKK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(Br)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQVOKDWPSCSLP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLRCCWXYJYGBZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3ccccc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNCKYXSVDCVBB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNLBTHHZLFHLAY-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFBJHJKSNNKCE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3c(F)cccc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGDWRMDZHYPCT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3cc(F)cc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEHZTNXCNZLED-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3cccc(Cl)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTFXUHLHFJQGO-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ncn(Cc3ccc(C(=O)NO)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABRLCCWRCGASD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3cccc(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUCUIXBBQQPXIS-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3cccc(OC(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTTTUAGWZBACAL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ncn(Cc3ccc(C(=O)NO)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRQRNMBAVYYULG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGIFQENMCGNZTI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3cccc(-c4ccccc4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHGDLSBKSPPAC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3cccnc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYEICHRLZMRJEV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3cccs3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREMENGJSPONAB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3ccccc3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVLUDPFAHVPIBZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3ccccc3)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTKSXRWOROTBGM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc(-c3ccccc3F)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNQTZQSXWSXXRQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(Cn2cnc(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYBAVUAXOLAJFK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(Cn2ncnc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLHQQZDPISYFN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2ncnc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQCFBRIBMVUEH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2ncnc2-c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHVTWWQEZJQXBT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2ncnc2-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLIMHGDEFGWAK-SFHVURJKSA-N", "SMILES:CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)c3c(n[nH]c3C)[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRBRJSBQVMFDGA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(-c2ccc(-c3cccc(O)c3)cc2)s1)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZSLDHYTTLETHL-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2nnc(-c3ccc(-c4ccccc4N)cc3)s2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECWVCKUKSDZDI-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1ccc(-c2nnc(NC(=O)c3ccccc3Br)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMQPXENOTSUTCS-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1ccc(-c2nnc(NC(=O)c3c(Cl)ccnc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECCALUSSAUMLJ-UHFFFAOYSA-N", "SMILES:CNCc1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXSIGGVKBZQGJ-UHFFFAOYSA-N", "SMILES:CNCc1cc(C)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUUQXMDBAHSFGF-UHFFFAOYSA-N", "SMILES:CNCc1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUVIFYGOBXXKX-UHFFFAOYSA-N", "SMILES:CNCc1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXUOUGICADLPAC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(F)c(-c2ncc3c(-c4ccc(N5CCN(C)CC5)cc4)n[nH]c3n2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OODREJWTFUBWAB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3n[nH]c4cc(-c5ccccc5)cnc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWWBDPHXYKHVTR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccc(-c5ccccc5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRAKYRSFDRHQLD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5)nc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKYBSZGWNDVHIO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5F)nc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPDHLAMWZWYQDQ-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNEVELHKRKAROD-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGNKHHSWDZOKRN-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(C)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGISJMLTGDSYRS-UHFFFAOYSA-N", "SMILES:CNC(C)c1cc(C)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKZQBBQDMRTBDM-UHFFFAOYSA-N", "SMILES:Cc1cc(C2CCCCN2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHPABLOPKTYRU-UHFFFAOYSA-N", "SMILES:CCNCc1cc(C)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZVSFJBZRFDFR-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCC2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJFJQFJFFVLMCX-UHFFFAOYSA-N", "SMILES:O=C1CC(N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMVZEKRBXVTHD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2ccccc2c(Cc2cc3ccccc3c(C(=O)O)c2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTVVGIJKMIBHU-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(O)C(=O)C(c3ccc(OC)cc3)=C(O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGLPTKDFYXRGBE-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnn[nH]1)c1cc(-c2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFDXVJUTKLMFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnn[nH]1)C1c2ccccc2OC2C=CC=CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKBNMZSPYLPLY-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZZNNLKSKJYFE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEAAIEOUCDGSDL-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKWAQDMVUMRKD-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBHZZLUODBWMS-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNCXCMHGHXQNH-IZZDOVSWSA-N", "SMILES:O=C(/C=C/c1ccccc1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTWBUGCUCWIOQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVWPAJGWVHTYOY-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESIORPNFVEQNP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKCAVFAEXIRFY-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(CCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMSFQBOKDFFFTQ-UHFFFAOYSA-N", "SMILES:CC(C)(CC(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWIRXDIPYJQDHJ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCN(c2ccc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJNGWTRUXCSBQO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)C1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUROFXSQUMCECU-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)NC1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRDRISGQSMTIM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)N1CCN(c2ccc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCNKXDDPMRZQX-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(CCC(=O)N2CCN(c3ccc(O)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKXKVJJLPPTDJE-UHFFFAOYSA-N", "SMILES:CC(C)(CC(=O)N1CCN(c2ccc(O)cn2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONDHMIHMLOLKDQ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(Cl)cc1)N1CCN(c2ccc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HISYQGYAJLHNDD-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(F)cc1)N1CCN(c2ccc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSOALEIIKIAZMH-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(=O)N2CCN(c3ccc(O)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWUVROKCRSMKBC-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(CCC(=O)N2CCN(c3ccc(O)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTKYDCIXVQHIL-UHFFFAOYSA-N", "SMILES:CC(C)(CC(=O)N1CCN(c2ccc(O)cn2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEMNJXDVNVPNTB-UHFFFAOYSA-N", "SMILES:CC(C)(CC(=O)N1CCN(c2ccc(O)cn2)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZACIKLLIUJCK-UHFFFAOYSA-N", "SMILES:O=C(CCc1cccs1)N1CCN(c2ccc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMZDIDRDSTEAB-UHFFFAOYSA-N", "SMILES:O=C(CCc1cc2ccccc2s1)N1CCN(c2ccc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMCOMGYGVBTNMG-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2ccccc2)s1)N1CCN(c2ccc(O)cn2)CC1"]}
{"name": "NAD-dependent malic enzyme, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5291602"], "id": "UniProtKB:P23368", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NADP-dependent malic enzyme", "xref": ["CHEMBL.TARGET:CHEMBL3495"], "id": "UniProtKB:P48163", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISBKQAYTMCHNU-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCN(c2ccc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUWKPLIBMGAID-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYRVZXWHRKMACC-UHFFFAOYSA-N", "SMILES:Oc1ccc(N2CCN(CC3CC3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZPGHAPCDOPBCS-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCN(c2ccc(O)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXLVTBKTLENMJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(N2CCNCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUWLGXOHGOZLE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(C(=O)Nc3cccc(O)c3)c2NCCCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLQDTOXPYMCBJT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cncc(-c3ccc4c(O)cccc4c3)c2C(=O)NCCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQQAGKUKYRVPHN-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(Cl)cc(Cl)c3)cnc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBTTWUIENGJNNG-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMJDDGKJJWAFL-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMMXUAPTUQCNC-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccccc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZPVJOHSMQBKNV-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTQHAFVCTVMSW-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1ccc2ncc(-c3cc(F)cc(F)c3)c(N3CCC(N)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKFFDXMCXAQKD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSLYGWSJGGKHF-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(F)c4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWZVZWQSRHWCY-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKHPSMJJEJEUCH-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(C(=O)O)c4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVOAFVRHDAICG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTBPVQXPLLMZGW-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(O)c4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYSTJOLZKZVOO-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccc(O)cc4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISEVDBBZOFRQNF-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccccc4O)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOLGHANNFIVAPZ-UHFFFAOYSA-N", "SMILES:NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(F)c4O)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTTDYXLYODLROC-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYNHVQSAANDCY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc3ncc(-c4cccc(F)c4)c(N4CCC(N)CC4)c3c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSAGFLSLILSDJP-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc3ncc(-c4ccccc4)c(N4CCC(N)CC4)c3c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVMFSLYNHFUOKD-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc3ncc(-c4ccc(F)cc4)c(N4CCC(N)CC4)c3c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAZBEJNROWUBQ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc3ncc(-c4ccccc4F)c(N4CCC(N)CC4)c3c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOMWBWZSVVANT-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc3ncc(-c4ccc(F)c(F)c4)c(N4CCC(N)CC4)c3c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJWVFOZDAGJLCH-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKYPZLWCPQWHRL-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHRPCYLYKNQRN-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPLBIIEBVKZPV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)ccn1"]}
{"name": "Somatostatin receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL5291563"], "id": "UniProtKB:Q49LX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAPKIKMRRTUGC-QXXUAEQASA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(=O)NCCCCC(=O)Nc2cccc(Cc3c(C)c4ccc(Oc5ncccn5)cc4oc3=O)c2F)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1402920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDPDARVUXXOYAJ-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUYNFLFXWMQIN-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXILFAPNLXMTN-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEVUAKDVSVJAFV-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJZNNXDITCGBSK-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CC(C)(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQSFJZSVDOXKCM-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CC(C)(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNSXGOLEYKZOO-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(sc3nc(CO)nc(N4CCN(C(=O)c5ccco5)CC4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWORYHNLSGCMZ-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(sc3nc(CCO)nc(N4CCN(C(=O)c5ccco5)CC4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIIXIQYNSYAFGG-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c2c3c(sc2n1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZEYZCDWWQWJEJ-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c2c3c(sc2n1)CC(C)(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDSHXLLANPSBW-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c(n1)sc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWADAVHHSVNXCQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)sc1nc(C)nc(N3CCN(C(=O)c4ccco4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBQZZRZLTNMJRT-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2cc(-c3ccccc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1484306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXELDYRZCKHWSK-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CC(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1507657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHEVDMHYABXIBV-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZSOFIVIJCNYFO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(C(=O)N3CCN(n4cc(-c5ccccc5)oc4=O)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1567371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQFHXQSFNOXOF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2nc(-c3cccnc3)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGUSAXDXFTWQKD-UKTHLTGXSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)[se]2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUWFPXNEMLWCHK-UKTHLTGXSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBCWNCOQJAAYCZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZNWLCWOBFIOA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)[se]2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKXBOSQBRZZJNB-UHFFFAOYSA-N", "SMILES:C=C(C(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)[se]2)nn1)c1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHBAVYDYHGTBB-MDWZMJQESA-N", "SMILES:O=C(/C=C/c1cc(F)ccc1F)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)[se]2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAOYOXAPDRPZKO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cc4ccccc4n3C)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZAPGJZGBUIRLB-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3nn4c(-c5ccc(C#N)cc5)cnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLNVYSOHEOBKJW-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cnc3sc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZILQEFHQBNHBB-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3nn4c(-c5ccncc5)cnc4s3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQYMHAUSYCZKU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnc3sc(-c4ccc(C(=O)N5CCCC5)cc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXBQRCVASKKRRR-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1ccc(-c2nn3c(-c4ccc(C#N)cc4)cnc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOBRLFTZHXZWPT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnc3sc(-c4ccc(C(=O)NCCCN5CCOCC5)cc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKYYYJETYKSIZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnc3sc(-c4ccc(C(=O)NCCN5CCCC5)cc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LACOTCUHEDDNGC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnc3sc(-c4ccc(C(=O)NCCCO)cc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCRXHIDEBJOEFB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnc3sc(-c4ccc(C(=O)NCCO)cc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHAZVVKQOCTFFZ-UHFFFAOYSA-N", "SMILES:CC1CCCCN1C(=O)c1ccc(-c2nn3c(-c4ccc(C#N)cc4)cnc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUUBVRVITMLFJU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnc3sc(-c4ccc(C(=O)NCCCCCO)cc4)nn23)cc1"]}
{"name": "Copper-transporting ATPase 1", "xref": ["CHEMBL.TARGET:CHEMBL5291564"], "id": "UniProtKB:Q04656", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Copper-transporting ATPase 1", "xref": ["CHEMBL.TARGET:CHEMBL5291565"], "id": "UniProtKB:Q64430", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMVBPQOACUDRU-UHFFFAOYSA-N", "SMILES:Nc1nnc(S(N)(=O)=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVDVARTBSWGHQ-UHFFFAOYSA-N", "SMILES:CCNc1nnc(S(N)(=O)=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKNJFVKKYCAND-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1nnc(NCC2CCCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL281376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMNNJWNEWDGYIV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBREXAVHBVMRO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1nnc(NC(=O)CC2CCCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMWAOWKSUHCXGV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1nnc(NCCC2CCCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4741159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDSEJCOQPMZNM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1nnc(NC(=O)CCc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIWUGXRPFUQKLA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1nnc(NC(=O)CCC2CCCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPVBEALKJDXVHE-UHFFFAOYSA-N", "SMILES:NC1CCCN(c2ccccc2NC(=O)c2cccc(-c3ccccc3F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYMNBTFRIULNEO-OAHLLOKOSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccccc2N2CCC[C@@H](N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWKQEQSYRXWEJ-CQSZACIVSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)ccc2N2CC[C@@H](N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFXFNQXCIZAEM-CQSZACIVSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccc3c(cnn3C)c2N2CC[C@@H](N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSZVRCRTXCCMNS-CYBMUJFWSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CC[C@@H](N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKWAGVCCEZPSSL-CYBMUJFWSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3nn(C)cc3c2N2CC[C@@H](N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBXEWFBXJNXBU-OAHLLOKOSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc3cnn(C)c3cc2N2CC[C@@H](N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORQCQXMGDYAIOI-CQSZACIVSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccc3c(ncn3C)c2N2CC[C@@H](N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPUNPWJLMOANL-CQSZACIVSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccc3sc(C)nc3c2N2CC[C@@H](N)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZGNXPVLEVFLKG-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CCC(N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIUMEILXDNKSE-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVXHCSJUCJAGY-CQSZACIVSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CCNC[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGHCLDUFHILPH-KBPBESRZSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2C[C@@H]3C[C@H]2CN3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYEKQONQZSCJHX-GJZGRUSLSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2C[C@@H]3CC[C@H]2CN3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBACHRSVCXHFP-KGLIPLIRSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2C[C@@H](N)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAPVUVLSXALII-KBPBESRZSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2C[C@@H](N)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCQVSWKOIATOS-AWEZNQCLSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CCC[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHKSBENCBXMGAT-KBPBESRZSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2C[C@@H](O)C[C@H]2CN)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAPVUVLSXALII-KGLIPLIRSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2C[C@H](N)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCPYTZCFBXHTFQ-RBUKOAKNSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CC[C@@H](O)[C@@H]2CN)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCIDVUEXGFQQT-LPHOPBHVSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CC[C@H](N)[C@@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKHBVOCOHYSWTQ-HUUCEWRRSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)ccc2N2C[C@H]3C[C@@H]2CN3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBYPZBREZXPCW-GJZGRUSLSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)ccc2N2C[C@@H](N)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFGXPBFJMPQKO-HUUCEWRRSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccccc2N2C[C@H]3C[C@@H]2CN3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQVZLFSJBQAQB-ROUUACIJSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c(-c3cccnc3)cc2N2C[C@@H]3C[C@H]2CN3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBFWLYUTIKICBY-ROUUACIJSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c(-c3cccnc3C)cc2N2C[C@@H]3C[C@H]2CN3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZPJHYQIPIKSV-PMACEKPBSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccc(-c3cccnc3C)cc2N2C[C@@H]3C[C@H]2CN3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLJUCXNHUVEHL-PMACEKPBSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccc(-c3cccnc3C)cc2N2C[C@@H](N)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCAXLCSQKKQKHA-PMACEKPBSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccc(-c3cnccc3C#N)cc2N2C[C@@H](N)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HENRITOGWFFGGA-PMACEKPBSA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccc(-c3ncccc3C#N)cc2N2C[C@@H](N)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAWDCCVZPCGIJC-OALUTQOASA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccc(-c3c(C#N)cnn3C)cc2N2C[C@@H](N)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFNNHJWPFANTQ-OALUTQOASA-N", "SMILES:COc1cccc(F)c1-c1nccc(C(=O)Nc2ccc(-c3c(C)nn(C)c3C#N)cc2N2C[C@@H](N)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCMLYHSWBXIGQ-UHFFFAOYSA-N", "SMILES:C=C(COC(=O)Nc1ccc(C)cc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)OCC"]}
{"name": "Thioredoxin reductase", "xref": ["CHEMBL.TARGET:CHEMBL3638339"], "id": "UniProtKB:P0A9P4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Lymphocyte antigen 6K", "xref": ["CHEMBL.TARGET:CHEMBL5291516"], "id": "UniProtKB:Q17RY6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPPFWWVLOMAOB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRISMKLFTPEHRU-ZBQRRTSWSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)ccc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXIDWCZQIZLNR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(C(=O)OCc4ccccc4)ccc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MROPICIFIBZLMZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(C(=O)NCCCCCCNc4ccc([N+](=O)[O-])c5nonc45)ccc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPZCTQQYIVIRJI-IYNIJIQHSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)ccc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGBPJGUANLRUIE-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(=O)NO)ccc1C(=O)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYZYJFJXJFTKT-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(C(=O)NO)cc1)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJPTTKPZKTSNQ-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YABXTJHVSPTPJO-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1cccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQMULOPCAAXGG-CSKARUKUSA-N", "SMILES:COc1cc(/C=C/C(=O)NO)ccc1C(=O)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYEQDJHCFJSLCN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMXHXOUWVVLTIR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEOXTHJUTFUTCV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACPMBXHIMOAHD-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCKNGMDTCNCLSX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBFGFQXSWYZSND-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1cccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPGEODDEAURQS-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CCC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLKBTRUQMSHSG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCc1ccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVXMXHIAIWCCM-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCc1cccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOVZFDNESRUPED-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(=O)Nc2ccccc2N)ccc1C(=O)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTBOGKGOTOBVQI-NTCAYCPXSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(/C=C/C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGQORQHBJKSMC-NTCAYCPXSA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1ccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLKDLWIFRIDRLP-WYMLVPIESA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2ccccc2N)ccc1C(=O)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZVOILHVRMEAM-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARVWNTYSUHYHK-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKLZUYEAQMEHQ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFPGMCDLBDDLAZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVDXOWXQCQBOV-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBJCFSYGVLSKZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFYYIKSRHYGYGR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQJGBVDTAFXEIJ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQKLXELFMXDHFO-UHFFFAOYSA-N", "SMILES:CCCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYLTWWKPIYTJAW-UHFFFAOYSA-N", "SMILES:CCCCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIIYQYWAPDCDNA-UHFFFAOYSA-N", "SMILES:CCCCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDSHSSMZYNEPP-UHFFFAOYSA-N", "SMILES:O=c1c(OCCO)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPYWEBQTWYRLD-UHFFFAOYSA-N", "SMILES:O=c1c(OCCCO)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUNBMHTZRGMBAK-UHFFFAOYSA-N", "SMILES:O=c1cc(Cc2ccc(O)c(O)c2)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICCCTINORQADKA-UHFFFAOYSA-N", "SMILES:CC(c1ccc(O)c(O)c1)c1cc(=O)c2c(O)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXPWDNDPDOQGZ-UHFFFAOYSA-N", "SMILES:O=c1cc(CCc2ccc(O)c(O)c2)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCRWJFXCONUFA-GQCTYLIASA-N", "SMILES:O=c1cc(/C=C/c2ccc(O)c(O)c2)oc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGXGTXJDIJWAZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(O)c1)c1cc(=O)c2c(O)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWUIBZRNKFXRS-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(O)c(O)c1)c1cc(=O)c2c(O)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZSRPUBDAPLAR-UHFFFAOYSA-N", "SMILES:O=C(OCCc1ccc(O)c(O)c1)c1cc(=O)c2c(O)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBGWFCNTTTXPC-UHFFFAOYSA-N", "SMILES:O=C(NCCNC(=O)c1cc(=O)c2c(O)cccc2o1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVPWMXIGWWNAV-UHFFFAOYSA-N", "SMILES:O=C(NCCNC(=S)Nc1ccc(O)c(O)c1)c1cc(=O)c2c(O)cccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFSSFNNPMWUIG-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)N3CCN(C)CC(F)C3)c3c2CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLCCJGSVOIZMNF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)N3CCCNCC3)c3c2CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLODYFIZYOIEHH-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)N3CCNCC(CO)C3)c3c2CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAOKLQOWWIRVLT-UHFFFAOYSA-N", "SMILES:CCN1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)c3c2COCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOORBTYTULFDSM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)N3CCN4CCC3CC4)c3c2CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMXHYSLBJFEKN-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccc(F)c(Cl)c2)c2c1COCC2)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGNGVHCQYLRMQR-UHFFFAOYSA-N", "SMILES:O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)c(Cl)c2)c2c1COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEFAWNHJRLNQCL-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)N3CCCN(C)CC3)c3c2CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDUXPGVKEOGWKB-UHFFFAOYSA-N", "SMILES:O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HETPCFGGOCHPAU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCOC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHQCJGRSHYCIQP-UHFFFAOYSA-N", "SMILES:O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(C(F)(F)F)cc2)c2c1COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLPSFSOANGAWIR-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(c(-c3ccc(F)cc3)nn2C(=O)N2CCN3CCC2CC3)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWGAPZBWBNLGK-UHFFFAOYSA-N", "SMILES:Cl.O=C(N1CCN2CCC1CC2)n1nc(-n2cc(C(F)(F)F)cn2)c2c1COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOIYZVWBZFRJTG-UHFFFAOYSA-N", "SMILES:O=C(N1CCN2CCC1CC2)n1nc(-n2cc(Cl)cn2)c2c1COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCRLSOELNXSLW-UHFFFAOYSA-N", "SMILES:O=C(N1CCN2CCC1CC2)n1nc(-n2cc(C(F)(F)F)cn2)c2c1CCOC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPVAKYJQNHUIL-UHFFFAOYSA-N", "SMILES:O=C(N1CCN2CCC1CC2)n1nc(-n2cc(C(F)(F)F)cn2)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPVFCROOILGYEK-FZMZJTMJSA-N", "SMILES:O=C(N1CCN2CCC1CC2)n1nc(-n2cc(C(F)(F)F)cn2)c2c1[C@H]1C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGBWBMWWNRWNU-SFHVURJKSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc(F)cc1NC(=O)c1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARSGQAUTAPATR-KRWDZBQOSA-N", "SMILES:Cc1c(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc(F)cc1NS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQVYJXKNWORIJP-INIZCTEOSA-N", "SMILES:Cc1c(CN2CCN(C(=O)CC3CC3)[C@@H](C)C2)cc(F)cc1NS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUUZFVHYAPQEI-IBGZPJMESA-N", "SMILES:Cc1c2cccc1NS(=O)(=O)CCCCC[C@H]1CN(CCN1C(=O)C(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXFMIUPXRHHRGD-IBGZPJMESA-N", "SMILES:Cc1c2cc(F)cc1NS(=O)(=O)CCCCC[C@H]1CN(CCN1C(=O)C(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUEPDBNKYPPMQO-IBGZPJMESA-N", "SMILES:Cc1c2cc(Cl)cc1NS(=O)(=O)CCCCC[C@H]1CN(CCN1C(=O)C(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQUXNDPKIUMDO-FQEVSTJZSA-N", "SMILES:Cc1c2cc(C#N)cc1NS(=O)(=O)CCCCC[C@H]1CN(CCN1C(=O)C(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJNQGWOQPRWRML-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCNC(=O)COc3ccc(C4CCC(=O)NC4=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFCLUGCJOGGYFA-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCNC(=O)COc3ccc(N4CCC(=O)NC4=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTSJZOKCLVAKMH-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLQOVGDDSJYRQ-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCC(=O)N3CCN(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWYPSMSVKLWNN-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCC(=O)N3CCN(c4ccc(N5CCC(=O)NC5=O)cc4)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHKUKZGKUOAXPL-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ncnc2c1cc(NC1CCCC1)c(=O)n2C)c1cc(N)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIIIGIBTCWPTIL-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ncnc2c1cc(C1CCNCC1)c(=O)n2C)c1cc(N)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNSJSWVQMZCPM-CYBMUJFWSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXQAJKQSSNSMQS-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1ncnc2c1cc(C1CCN(C(=O)C3CCN(C)CC3)CC1)c(=O)n2C)c1cc(N)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTCIHRVYBSRKRZ-CYBMUJFWSA-N", "SMILES:CC(=O)N1CCN(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOELFFWKQVYZKX-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ncnc2c1cc(-c1ccncc1)c(=O)n2C)c1cc(N)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWJGEOMYKWCXDN-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ncnc2c1cc(-c1ccccc1)c(=O)n2C)c1cc(N)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPNYUMZEWSNCP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(NCc4cc(N)cc(C(F)(F)F)c4)ncnc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HASVHEDGISWQJO-CQSZACIVSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(N)c4)ncnc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDGDJIYFCRSCB-CQSZACIVSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4)ncnc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPCJLIBDYRBGR-CQSZACIVSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(OC(F)(F)F)c4)ncnc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZSCHYGDQYBHR-OAHLLOKOSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(C(F)(F)CO)c4)ncnc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDWSMBLKPHHHU-CQSZACIVSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(C(F)(F)CO)c4F)ncnc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPEJCOUGTBYZQU-OAHLLOKOSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4C)ncnc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOVRWRGSGYBEDB-MRXNPFEDSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(C#N)c4C)ncnc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CANNEHAOSZSHJR-CYBMUJFWSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)nc(C)nc3n(C)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOUQZZAHRIUPEM-GFCCVEGCSA-N", "SMILES:CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJWIECNQTLEUJN-CQSZACIVSA-N", "SMILES:CCn1c(=O)c(C2CCN(C(C)=O)CC2)cc2c(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHJORKHOXGOXPD-OAHLLOKOSA-N", "SMILES:CCCn1c(=O)c(C2CCN(C(C)=O)CC2)cc2c(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOPNWXZDJKCCRE-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWDCCYLPLDXQG-JWOSDPRPSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(O[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O)c(Cl)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKWEBDNMFOPCT-AYENOPNPSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)C(=O)O[B-]2(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVKYOROKILIOK-HEXNFIEUSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(B(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJXJAVIWUMUNJ-RKOGDMNLSA-N", "SMILES:C[C@H]1CCN(c2ccc(CNC(=O)c3cncc(N4CC[C@]5(C4)OC(=O)Nc4ccc(Cl)c(F)c45)n3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTRWDCZPQTGAV-RKOGDMNLSA-N", "SMILES:C[C@H]1CCN(c2ccc(CNC(=O)c3cnnc(N4CC[C@]5(C4)OC(=O)Nc4ccc(Cl)c(F)c45)c3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUWILBDCLREUSG-AALRHGRASA-N", "SMILES:CN1CCCC1c1ccc(CNC(=O)c2cnnc(N3CC[C@]4(C3)OC(=O)Nc3ccc(Cl)c(F)c34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBUINHDABZZYNT-MUUNZHRXSA-N", "SMILES:O=C1Nc2ccc(Cl)c(F)c2[C@]2(CCN(c3cncc(C(=O)NCc4ccc(Cn5ccccc5=O)nc4)n3)C2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPBJIKJBISLLI-GDLZYMKVSA-N", "SMILES:O=C1Nc2ccc(Cl)c(F)c2[C@]2(CCN(c3cncc(C(=O)NCc4ccc(Cn5ccccc5=O)nc4)c3)C2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKAXHHJAPBSNRU-MUUNZHRXSA-N", "SMILES:Cc1cnn(Cc2ccc(CNC(=O)c3cncc(N4CC[C@]5(C4)OC(=O)Nc4ccc(Cl)c(F)c45)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPYHOWPMLKOTHZ-MUUNZHRXSA-N", "SMILES:Cc1cnn(Cc2ccc(CNC(=O)c3cnnc(N4CC[C@]5(C4)OC(=O)Nc4ccc(Cl)c(F)c45)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZESCEDQGABOQF-RUZDIDTESA-N", "SMILES:O=C1Nc2ccc(Cl)c(F)c2[C@]2(CCN(c3cncc(C(=O)NCc4ccc(N5CCC5)nc4)n3)C2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCERKBJMFDNXOI-HHHXNRCGSA-N", "SMILES:CN1CCN(c2ccc(CNC(=O)c3cncc(N4CC[C@]5(C4)OC(=O)Nc4ccc(Cl)c(F)c45)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPWLERWAIQWKRN-MUUNZHRXSA-N", "SMILES:N#CC1(F)CN(Cc2ccc(CNC(=O)c3cnnc(N4CC[C@]5(C4)OC(=O)Nc4ccc(Cl)c(F)c45)c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNRXJZSVIQESFG-AGUALJOGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGWUINLTPUIHH-AIUXFYIVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISINZIAGARNKE-OZNHISJWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C(=O)N[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFUOTNWXOEIBC-FBNOEUQTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMZZFTOXWLKHFU-GIISNQDKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCVRDIJJNBXNRE-ATJWKKCCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFRLSGZMLSLTJH-SLWDCMFNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNMRGIEDIBDSF-FQZVCFEXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHZQSYKGHHDOP-IBGZPJMESA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C=C(CF)OC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJMGWWLDRBWVOL-FQEVSTJZSA-N", "SMILES:Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)C=C(CF)OC(N)=N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCHHRYPJQJNPPY-IBGZPJMESA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ncc(C#N)cc3F)ccc2F)C=C(CF)OC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXNPNJKLCMFDG-IBGZPJMESA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ncc(C#N)cc3Cl)ccc2F)C=C(CF)OC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPJCTRRFHZHVDF-SFHVURJKSA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=C(CF)OC(N)=N3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZICWXJOCPCSB-IBGZPJMESA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=C(CF)OC(N)=N3)c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOCCHFJQUBFRGO-SFHVURJKSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)C=C(CF)OC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVUIYQUEOTKCQ-SFHVURJKSA-N", "SMILES:COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=C(CF)OC(N)=N3)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMVSVKVGVGMJP-KRWDZBQOSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3coc(C(F)F)n3)ccc2F)C=C(CF)OC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJYGDLPFIPYGRW-KRWDZBQOSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3coc(CF)n3)ccc2F)C=C(CF)OC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQFLRWYEGRWKEH-KRWDZBQOSA-N", "SMILES:C[C@@]1(c2cc(NC(=O)c3ccn(C(F)F)n3)ccc2F)C=C(CF)OC(N)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSCTODQGDGEBY-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(ccn2CC(=O)Nc2ccc(F)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVNGICQOLEDHR-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(ccn2CC(=O)Nc2ccccc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSAODCJTBHVITE-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccc2c(=O)[nH]ccc21)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCCRDNMYLCIAPZ-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(ccn2CC(=O)Nc2ccccc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIQOPYVKOWIEFP-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(ccn2CC(=O)Nc2ccncc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISVURGOCTGLWNC-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(ccn2CC(=O)Nc2ccc(C#N)cc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREBMTPPWKMVIM-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(ccn2CC(=O)Nc2ccc(C#N)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMFWOZBSPYYNP-UHFFFAOYSA-N", "SMILES:Cc1nnc2c3ccn(CC(=O)Nc4ccncc4Cl)c3ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGIZMIOMJSGVEF-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(ccn2CC(=O)Nc2ccncc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYJDXWTHRPQHT-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(cnn2CC(=O)Nc2ccncc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOOFDHGGWGWDP-UHFFFAOYSA-N", "SMILES:Nc1nc2c(ccn2CC(=O)Nc2ccncc2Cl)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFDWALWVHVCPE-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(c(-c3cccc(C#N)c3)cn2CC(=O)Nc2ccncc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWKPZVJQRAKJRS-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(c(-c3ccc(O)cc3)cn2CC(=O)Nc2ccncc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQBAUBAIKPPEO-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(c(-c3ccc(O)c(C#N)c3)cn2CC(=O)Nc2ccncc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPILOIIKFLBFA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cn(CC(=O)Nc3ccncc3Cl)c3ncn(C)c(=O)c23)cc(C#N)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLIGCSLDHRTYSK-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(c(-c3ccc(O)c(C(N)=O)c3)cn2CC(=O)Nc2ccncc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAOFXUUJLLQNIX-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ccn2CC(=O)Nc1ccncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBIRSGSQXIUNKC-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(c(-c3ccc(O)c(C(N)=O)c3)cn2CC(=O)Nc2cc(N3CCOCC3)ncc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNUVMRFTQPUSRK-AWEZNQCLSA-N", "SMILES:C[C@H]1COCCN1c1cc(NC(=O)Cn2cc(-c3ccc(O)c(C(N)=O)c3)c3c(=O)n(C)cnc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYPIBXVPZCTMSW-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(c(-c3cc(Cl)c(O)c(C(N)=O)c3)cn2CC(=O)Nc2cc(N3CCOCC3)ncc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRFFOKFYGUOKD-ZDUSSCGKSA-N", "SMILES:C[C@H]1COCCN1c1cc(NC(=O)Cn2cc(-c3cc(Cl)c(O)c(C(N)=O)c3)c3c(=O)n(C)cnc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRFFOKFYGUOKD-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1cc(NC(=O)Cn2cc(-c3cc(Cl)c(O)c(C(N)=O)c3)c3c(=O)n(C)cnc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRJRUCNOMGJHID-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(Cl)c(O)c(C(N)=O)c3)c3c(=O)n(C)cnc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTZCPVBMHMFLN-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(F)c(O)c(C(N)=O)c3)c3c(=O)n(C)cnc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGHAGWRFHZKDB-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)cc3F)c3c(=O)n(C)cnc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWECVQGTVIRVDC-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n(C)cnc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFPNAULTTRZFPF-AWEZNQCLSA-N", "SMILES:CCN1CCN(c2cc(NC(=O)Cn3cc(-c4cc(C(N)=O)c(O)c(F)c4F)c4c(=O)n(C)cnc43)c(Cl)cn2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGSCOPKLHKANW-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(C2COC2)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n(C)cnc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPPAZZGREKQIKI-KBPBESRZSA-N", "SMILES:C[C@H]1CN(C)C[C@H](C)N1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n(C)cnc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBZSBJVJMKQMU-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(Cl)c3F)c3c(=O)n(C)cnc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DACSXUUNKIDBNZ-AWEZNQCLSA-N", "SMILES:COc1c(O)c(C(N)=O)cc(-c2cn(CC(=O)Nc3cc(N4CCN(C)C[C@@H]4C)ncc3Cl)c3ncn(C)c(=O)c23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHNRVEQMLCYMIK-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(Cl)c(O)c(C(N)=O)c3)c3c(=O)n(C)cnc32)c(Cl)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUNZYZWWEBYSRT-LBPRGKRZSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n(C)cnc32)c(Cl)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDZTATYYQZXIC-LBPRGKRZSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(Cl)c3F)c3c(=O)n(C)cnc32)c(Cl)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGWSFJCKZRJJKS-ZDUSSCGKSA-N", "SMILES:COc1c(O)c(C(N)=O)cc(-c2cn(CC(=O)Nc3cc(N4CCN(C)C[C@@H]4C)nc(F)c3Cl)c3ncn(C)c(=O)c23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLQBURFDVPUAL-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(F)c(O)c(C(N)=O)c3)c3c(=O)n(C)cnc32)c(Cl)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMJJCRBHNLSKPZ-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c4c3OCO4)c3c(=O)n(C)cnc32)c(Cl)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJOTKRDVPGQRE-LBPRGKRZSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(F)c(O)c(C(N)=O)c3F)c3c(=O)n(C)cnc32)c(Cl)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJACRWNCVAHDPS-ZDUSSCGKSA-N", "SMILES:Cc1nc2c(c(-c3cc(C(N)=O)c(O)c(F)c3F)cn2CC(=O)Nc2cc(N3CCN(C)C[C@@H]3C)ncc2Cl)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQPBJSNLDBRVNH-LBPRGKRZSA-N", "SMILES:Cc1nc2c(c(-c3cc(C(N)=O)c(O)c(F)c3F)cn2CC(=O)Nc2cc(N3CCN(C)C[C@@H]3C)nc(F)c2Cl)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLOAUGDVBXEEFK-ZDUSSCGKSA-N", "SMILES:Cc1nc2c(c(-c3cc(C(N)=O)c(O)c4c3OCO4)cn2CC(=O)Nc2cc(N3CCN(C)C[C@@H]3C)nc(F)c2Cl)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMWXCIZQLNCEA-AWEZNQCLSA-N", "SMILES:Cc1nc2c(c(-c3cc(C(N)=O)c(O)c4c3OCCO4)cn2CC(=O)Nc2cc(N3CCN(C)C[C@@H]3C)nc(F)c2Cl)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZGDKKQAYXWKZ-LBPRGKRZSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n(C)c(C(F)(F)F)nc32)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAULVJSIQRRWRW-LBPRGKRZSA-N", "SMILES:COc1nc2c(c(-c3cc(C(N)=O)c(O)c(F)c3F)cn2CC(=O)Nc2cc(N3CCN(C)C[C@@H]3C)nc(F)c2Cl)c(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXJSHBZZQMZOFB-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c4c3OCO4)c3c(=O)n4c(nc32)CCC4)c(Cl)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGAFZGSECXDYIR-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n4c(nc32)CCC4)c(Cl)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYRQXPOIISTQD-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n4c(nc32)CCCC4)c(Cl)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVAPBIZHYDNDKJ-HNNXBMFYSA-N", "SMILES:C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n4c(nc32)CCCCC4)c(Cl)c(F)n1"]}
{"name": "B-cell CLL/lymphoma 6 member B protein", "xref": ["CHEMBL.TARGET:CHEMBL5291528"], "id": "UniProtKB:Q8N143", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger and BTB domain-containing protein 17", "xref": ["CHEMBL.TARGET:CHEMBL5069374"], "id": "UniProtKB:Q13105", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger and BTB domain-containing protein 16", "xref": ["CHEMBL.TARGET:CHEMBL4105726"], "id": "UniProtKB:Q05516", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger and BTB domain-containing protein 32", "xref": ["CHEMBL.TARGET:CHEMBL5291542"], "id": "UniProtKB:Q9Y2Y4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcriptional regulator Kaiso", "xref": ["CHEMBL.TARGET:CHEMBL5069376"], "id": "UniProtKB:Q86T24", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CREB3 regulatory factor", "xref": ["CHEMBL.TARGET:CHEMBL5291607"], "id": "UniProtKB:Q8IUR6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHFYGXSOELYTQT-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(NC(=O)c3sc(N4CCOCC4)nc3-c3cccc(F)c3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJMHXMNZZSWQM-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2cccc(F)c2)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHDLMUVJQAUFD-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(NC(=O)c3scnc3-c3cccc(F)c3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZYHYDTJZNWHW-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(NC(=O)c3sc(N4CC(O)C4)nc3-c3cccc(F)c3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSLPHBDZBEFLC-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(NC(=O)c3sc(N4CCNCC4)nc3-c3cccc(F)c3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESVQADCPXYUHA-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(NC(=O)c3scnc3-c3ccccc3F)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGIASFMHGIOQA-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(OCCN3CCCC3c3cccc(F)c3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGIASFMHGIOQA-HXUWFJFHSA-N", "SMILES:O=C1CCc2cc(OCCN3CCC[C@@H]3c3cccc(F)c3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFGDBZBTMLACO-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZFEPJRFCYKBK-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3ncc(Sc4cccnc4C(F)(F)F)nc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXBBRUZOILNLED-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3ncc(Sc4cccc(Cl)c4Cl)nc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQBTWMLSOITRU-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3cnc(Sc4cccnc4C(F)(F)F)nc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJVEURDVMMLSF-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCC(C)(N)CC2)nc2ncc(Sc3cccnc3C(F)(F)F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEJTXGSNFHIPB-UHFFFAOYSA-N", "SMILES:Cn1c(N2CCC(C)(N)CC2)nc2nc(Sc3cccnc3C(F)(F)F)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLCHLWPLSITLN-UHFFFAOYSA-N", "SMILES:Cc1nc2nc(N3CCC(C)(N)CC3)[nH]c2nc1Sc1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJGQGOJHKJNVNK-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3ncc(Oc4cccc(Cl)c4Cl)nc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNKYQCUOUWQIG-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nc3ncc(-c4cccc(Cl)c4Cl)nc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBNWHYLBOUOOIC-UHFFFAOYSA-N", "SMILES:NC1CCN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCVTFIHWHTWAS-UHFFFAOYSA-N", "SMILES:NC1CCCN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBVJIMFBYGSPKK-UHFFFAOYSA-N", "SMILES:CNC1CCN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWHLRFGLXDKOAV-CYBMUJFWSA-N", "SMILES:N[C@@H]1CCCC12CCN(c1nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAENYNHIAMXYPJ-SMDDNHRTSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3nc4nc(Sc5cccnc5C(F)(F)F)cnc4[nH]3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEKVEYVOMDHAS-GOSISDBHSA-N", "SMILES:N[C@@H]1c2ccccc2CC12CCN(c1nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHIKNAQWTTVBFU-GOSISDBHSA-N", "SMILES:Nc1nccc(Sc2cnc3[nH]c(N4CCC5(CC4)Cc4ccccc4[C@H]5N)nc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRDXRZDIYCZRT-LJQANCHMSA-N", "SMILES:CNc1nccc(Sc2cnc3[nH]c(N4CCC5(CC4)Cc4ccccc4[C@H]5N)nc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZATUCGLSWXHC-LJQANCHMSA-N", "SMILES:N[C@@H]1c2ccccc2CC12CCN(c1nc3nc(Sc4ccncc4Cl)cnc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYIWSBSEDMXMFQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)NCCCCNC(=O)CS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMLRCZXRBTKLJ-UHFFFAOYSA-N", "SMILES:O=C(CS)NCCCCCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAEHSKBDYBRUNU-UHFFFAOYSA-N", "SMILES:NCC(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCNC(=O)CS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPPGBOJVGZRMKT-VWLOTQADSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCNC(=O)CS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGCJGLSCOWAZHA-QFIPXVFZSA-N", "SMILES:O=C(CS)NCCCCCC(=O)Nc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKZGGPJMUICDRC-SANMLTNESA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCNC(=O)CS)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOJHTOVXGQVDN-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1COCCCCCNC(=O)C(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXOJHTOVXGQVDN-OAHLLOKOSA-N", "SMILES:Cc1onc(-c2ccccc2)c1COCCCCCNC(=O)[C@@H](C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTMTBXLLAOWGT-XYOKQWHBSA-N", "SMILES:Cc1onc(-c2ccccc2)c1/C=C/CCCCCNC(=O)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKJNBQITNLGKA-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccccc2)c1C#CCCCCCNC(=O)C(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSCLWKQWMCNIJI-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2cccc(F)c2)c1C#CCCCCCNC(=O)C(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMIDYBQMXWFUIG-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1C(=O)NCCCCCNC(=O)C(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2417784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMIDYBQMXWFUIG-CQSZACIVSA-N", "SMILES:Cc1onc(-c2ccccc2)c1C(=O)NCCCCCNC(=O)[C@@H](C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTMTBXLLAOWGT-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1C=CCCCCCNC(=O)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTMTBXLLAOWGT-WQLSENKSSA-N", "SMILES:Cc1onc(-c2ccccc2)c1/C=C\\CCCCCNC(=O)CS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIDXNZPWTMVERQ-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1C=CCCCCCNC(=O)C(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2032251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMGPSDPNANTYKH-AATRIKPKSA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZQZELTOHAHNW-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEBGTGDWTZQCJ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164257", "category": ["biolink:ChemicalEntity"], "name": "FOSMIDOMYCIN SODIUM", "xref": ["InChIKey:ZZPUYRHMTGOTEU-UHFFFAOYSA-M", "SMILES:O=CN(O)CCCP(=O)([O-])O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205338", "category": ["biolink:ChemicalEntity"], "name": "FR-900098", "xref": ["InChIKey:PKMNDDZSIHLLLI-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)CCCP(=O)(O)O"], "chembl_natural_product": true}
{"name": "1-deoxy-D-xylulose 5-phosphate reductoisomerase", "xref": ["CHEMBL.TARGET:CHEMBL5630"], "id": "UniProtKB:P9WNS1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFEAEEFTHWVOQX-UHFFFAOYSA-N", "SMILES:CN(O)C(=O)CCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKXSFRVADDCWTF-UHFFFAOYSA-N", "SMILES:O=C(CCCP(=O)(O)O)NO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL258981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXDGJHZVDJQJCC-UHFFFAOYSA-N", "SMILES:CN(O)C(=O)CCCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVMIOWESIQIGB-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(Nc1nccc2ccccc12)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEMHGRRBKBCTPH-UHFFFAOYSA-N", "SMILES:O=P(O)(O)CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUJXUPDXTYWOEG-LOYHVIPDSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NC(C)(C)CO)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJFHOLROXOUAS-FRXPANAUSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)N[C@@H](C)CO)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIACRNVGDTLPP-FQLXRVMXSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCO)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJFHOLROXOUAS-IDZRBWSNSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)N[C@H](C)CO)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBJOKOMFSRNPE-CZNDPXEESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCCCCO)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBBYERHFHVJWRB-CZNDPXEESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCC(C)(C)CO)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUNODJJYFNGNC-LOYHVIPDSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NC1(CO)CC1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKVAKRHFGUGBY-LOYHVIPDSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCC(F)(F)P(=O)(O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYVKBNPEGSBQQ-FIRIVFDPSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCC(F)(F)P(=O)(O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLMLLXHZZFHMM-CZNDPXEESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCC(F)(F)P(=O)(O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOJCWSMGIRIAQB-CZNDPXEESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NC1(COCCCP(=O)(O)O)CC1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHIDHOBIKLOEQ-LOYHVIPDSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCP(=O)(O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGHNQAABBDWBQV-WRVRXEDSSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)N[C@H](C)COCCCP(=O)(O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVKJRRCUXJPSI-XPSQVAKYSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCc1ccc(OCCCP(=O)(O)O)cc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZGAIDMYDODDCR-FIRIVFDPSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCP(=O)(O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHZYFWSFEIMQJX-CZNDPXEESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCP(=O)(O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTJRHMDAWIOOS-VSJLXWSYSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCP(=O)(O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNOGPJKWGDNSC-FZNHDDJXSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCOCCP(=O)(O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNXWVGUWKZJCP-LOYHVIPDSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCS(=O)(=O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRLRCGLYWNFJS-FIRIVFDPSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOS(=O)(=O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKLGGPNTJGESOS-MRMDFWARSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NC(C)c1ccccc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHVXJGGXNOCZGK-VSJLXWSYSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCc1ccccc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSOOHCLPGKVYKN-YDYHHJQSSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NC(C)CCc1ccccc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVZBXUIVATSHB-YVYKSJDOSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCC(C)c1ccccc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKJGFSIIOVNCA-CZNGMFANSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NC(Cc1ccccc1)c1ccccc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNJLMXGCOELHZ-VSJLXWSYSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCc1cccc(O)c1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHBKMLNPXVRWIF-AARGBPIESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NC(C)c1ccc(O)cc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNAAVMVBTLMJMB-XRSDMRJBSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCc1ccc(OCCC(C)C)cc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRLXBIPMFZJOH-GYOJGHLZSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCc1ccc(Oc2ccccc2)cc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLCKRBSQQEZGQ-VSJLXWSYSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCc1ccc(O)cc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNTHDDRAWXBBMN-UVKZOVFSSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)N[C@@H](C)[C@H](O)c1ccccc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFWLGTSLWFTFQS-LJEWAXOPSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCc1ccc(OCCOCCO)cc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVWLDYNSLHYMW-VYXDYGHXSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NC(C)CCC(C)C)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPXOGYYGNBVLKU-YPHBKRNWSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NC(CC)COC)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMRZEFCYDPQPL-DCMFLLSESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)N[C@@H](CC)COCC(=O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVMCOJRWJKRLHH-ROJLCIKYSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCCCC(=O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBVIJOYGHFWPR-VSJLXWSYSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCC(=O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNROZPSWLBMWPE-LQFQNGICSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYCONLVFURIDS-RQOYOAKWSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)N[C@@H](CO)C(=O)NCCOCCOCCOCCC(=O)O)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPLRNBHQTCTMRV-FQLXRVMXSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCN)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVHDVDCLULGCC-LOYHVIPDSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCN)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHSNTESEOCQILJ-FIRIVFDPSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCCN)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHHPYTNCJSLVFI-ROJLCIKYSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCCCN)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOFUSBGBPFWRCB-CZNDPXEESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCCCCN)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMDYWJGDKVVBK-CZNDPXEESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCN)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCJSPBZAUYAILM-FZNHDDJXSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCOCCOCCOCCCN)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTNDQQUZWSEST-XPSQVAKYSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCOCCCCOCCCCN)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZIXKMBQEDBLLG-YQXZVGMQSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCOCCOCCOCCCNC(=O)C(N)CS)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJDMLZLWUSXMP-KKLWWLSJSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCc1ccccn1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZKKLEZFOVMHOC-KKLWWLSJSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCc1cccnc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHSHKBHXXPDACG-KKLWWLSJSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCc1ccncc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQFYRSYYKZNLGX-CZNDPXEESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCCn1ccnc1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPZGWRQABARXAD-CZNDPXEESA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCN1CCOCC1)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZIGXPCTOAGJL-UWGUOLQLSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NC(C)CCN(CC)CC)OC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGMSIQHNAGHRGU-KAYWLYCHSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCP(=O)(O)O)OC(=O)CCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFLLOZZIWLFBR-FIRIVFDPSA-N", "SMILES:CCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCP(=O)(O)O)OC(=O)CCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCMUJYQLFRUOAW-LJEWAXOPSA-N", "SMILES:CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCP(=O)(O)O)OC(=O)CCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBOSRVKDYVZKJ-FQLXRVMXSA-N", "SMILES:CCCCCCCCNC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCP(=O)(O)O)OC(=O)NCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEMYQBTFDDLIX-CZNDPXEESA-N", "SMILES:CCCCCCCCCCNC(=O)OC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCP(=O)(O)O)OC(=O)NCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHAAOSFNYKAWJW-VSJLXWSYSA-N", "SMILES:CCCCCCCCCCNC(=O)OC[C@H](CSC[C@@H](NC(C)=O)C(=O)NCCOCCOCCOCCP(=O)(O)O)OC(=O)NCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJSIOROXUPQLU-XPSQVAKYSA-N", "SMILES:CCCCCCCCCCNC(=O)OC[C@H](CSC[C@@H](NC(=O)CCCCC)C(=O)NCCOCCOCCOCCP(=O)(O)O)OC(=O)NCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYBLIGCVWDNMQI-URZIEALYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@H](CSC[C@@H](COC(=O)NCCCCCCCCCC)OC(=O)NCCCCCCCCCC)C(=O)NCCOCCOCCOCCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYMTCXZDCOGSU-FZNHDDJXSA-N", "SMILES:CCCCCCCCCCCCOC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCP(=O)(O)O)OCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPXRRZZSZBAKN-GSFSDPDBSA-N", "SMILES:CCCCCCCCCCCCCCCCOC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCP(=O)(O)O)OCCCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDQLNIGVWUTJN-CDKYPKJRSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@H](CSC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(=O)NCCOCCOCCOCCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXFGUOCZYXWDEO-VSJLXWSYSA-N", "SMILES:CCCCCCCCCCCC[C@H](CSC[C@@H](N)C(=O)NCCOCCOCCOCCP(=O)(O)O)OC(=O)NCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUXCYOOBZSNNRX-WSJKBMFASA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAILWIUIHHNIJK-JRINQVIBSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@@H](NC(=O)CCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUASMJIZYYOMMZ-JGULXGTKSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMCAAYSODQTNLA-IKGSPTIXSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@@H](NC(=O)CCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDPHAKKZGDBEV-QSGSMRCDSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@H](CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYXXCRNFRQHBB-NBKWHKQYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPXUKZBYBHAYNV-JJGWWSOQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)NCC(=O)N[C@H](CO)C(=O)COCC(=O)NCCCOCCOCCOCCCN)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APZLZDDAQPRGHC-ZYIRWWKFSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC)C(=O)NCC(=O)N[C@H](CO)C(=O)COCC(=O)NCCCOCCOCCOCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXSEYOZCWSISW-VQGMEJBUSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNc1ccc(C2=C(/C=C/C3=[N+](CC)c4ccccc4C3(C)C)CCC/C2=C\\C=C2\\N(CCC)c3ccccc3C2(C)C)cc1)C(=O)NCC(=O)N[C@H](CO)C(=O)COCC(=O)NCCCOCCOCCOCCCN.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEZMRPYPITNHY-BRYCUNNMSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CS[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEZMRPYPITNHY-LIOIVSPISA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@@H](CS[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJOUODVDTHIGED-KVJFLHSLSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](CS[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJOUODVDTHIGED-ALHBZVKDSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@@H](CS[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXMWHOOSFNXAF-ZQPHKPSWSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](SC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXMWHOOSFNXAF-JKJSEEDLSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](SC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCOIULUFDIKCNA-GJIBVEAXSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC[C@H](CS[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCOIULUFDIKCNA-FYBYCAKPSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC[C@@H](CS[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYIWXWJILRCRU-DZFMWJPYSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC[C@H](CS[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYIWXWJILRCRU-VFVQTXEWSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCC[C@@H](CS[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFESOQVCFZHLQA-DDXJFWSBSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCCC[C@H](CS[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBIDILBFBEKDT-DRFCRJSISA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCCCC[C@H](CS[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEGMBRJZAFBEV-OKRGBQMJSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)OCCCCC[C@H](CS[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKQQDEJGPIGCKQ-ULCKRRFASA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](CSCC(COC(=O)CC)OC(=O)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDWZZYKXNESMQ-CKHFLOQWSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](CSCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRBQGOGVCOXAT-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCCC2"]}
{"name": "Sphingolipid delta(4)-desaturase DES1", "xref": ["CHEMBL.TARGET:CHEMBL5291552"], "id": "UniProtKB:Q5XIF5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZVOGZATHCUFRC-KFJFTADJSA-N", "SMILES:CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOIBJHCOSKEGLA-BJKOFHAPSA-N", "SMILES:CCCCCCCCCCCCCSC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXCOSOMEQMKRN-AHKZPQOWSA-N", "SMILES:CCCCCCCCCCCCCC1=C([C@@H](O)[C@H](CO)NC(=O)CCCCCCC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWLKQCNRQYHRIY-CMUYLPBGSA-N", "SMILES:CCCCCCCCCCC/C=C/CC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGRNXNAJGRDAAB-UHFFFAOYSA-N", "SMILES:CC(C)CCCCCC(=O)Nc1ccc(O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTGRGXXDHJUPS-MQMHXKEQSA-N", "SMILES:O=C(Nc1ccc(O)cn1)[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIDXQLJSGYSEHG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cn1)c1ccc(C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKMQDFQPDXQFD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1ccc(C2CCCCC2)cc1"]}
{"name": "Ceramide synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL5291553"], "id": "UniProtKB:Q96G23", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ceramide synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL5291526"], "id": "UniProtKB:P27544", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPUAZJMYUINZEI-SFHVURJKSA-N", "SMILES:C[C@@](N)(CO)CCc1ccc(OCc2ccccc2)cc1"]}
{"name": "Ceramide synthase 5", "xref": ["CHEMBL.TARGET:CHEMBL5291585"], "id": "UniProtKB:Q8N5B7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ceramide synthase 6", "xref": ["CHEMBL.TARGET:CHEMBL5291517"], "id": "UniProtKB:Q6ZMG9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQQHXJCIFGMUPY-SFHVURJKSA-N", "SMILES:C[C@@](N)(CO)CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1"]}
{"name": "Ceramide synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL5291538"], "id": "UniProtKB:P27545", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ceramide synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL5291518"], "id": "UniProtKB:Q924Z4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ceramide synthase 4", "xref": ["CHEMBL.TARGET:CHEMBL5291570"], "id": "UniProtKB:Q9HA82", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ceramide synthase 5", "xref": ["CHEMBL.TARGET:CHEMBL5291555"], "id": "UniProtKB:Q9D6K9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXFCPUCGPCDZKT-BEQMOXJMSA-N", "SMILES:COc1c(O)cc2oc3cc(O)c(C/C=C(\\C)CO)c(O)c3c(=O)c2c1C/C=C(\\C)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458845", "category": ["biolink:ChemicalEntity"], "name": "COWANIN", "xref": ["InChIKey:GVDDDYKLKUMEGV-WOJGMQOQSA-N", "SMILES:COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1C/C=C(\\C)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3261720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPZRMYXEESOBKU-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc(O)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXHVLVSULWMTCV-DICZBTHZSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1O)OC(=O)CCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQDOAOZVXZTIMA-UHFFFAOYSA-N", "SMILES:CCCCCCn1cc(C(N)(CO)CO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXQEXZQRIJOIZ-UHFFFAOYSA-N", "SMILES:CCCCCCCn1cc(C(N)(CO)CO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIIHYZWCYUJUSP-UHFFFAOYSA-N", "SMILES:CCCCCCCCn1cc(C(N)(CO)CO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXWKEHHIIOEAC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCn1cc(C(N)(CO)CO)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418376", "category": ["biolink:ChemicalEntity"], "name": "SCYPHOSTATIN", "xref": ["InChIKey:KSIWZCYBCSQXTA-JPOQAJQISA-N", "SMILES:CC[C@@H](C)/C=C(\\C)C[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21"], "chembl_natural_product": true}
{"name": "Sphingomyelin phosphodiesterase 2", "xref": ["CHEMBL.TARGET:CHEMBL3528"], "id": "UniProtKB:Q9ET64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXPSMUFCGRWJC-UHFFFAOYSA-N", "SMILES:CC(C)(O)C(O)Cc1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQNIOJCFXSRSC-AATRIKPKSA-N", "SMILES:CC(C)(O)/C=C/c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMZFUPJSYGVBOH-VOTSOKGWSA-N", "SMILES:COC(C)(C)/C=C/c1cc(O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL261976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNKJCGBXLXLTK-HXYYQIRISA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL59342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWYADQOIICZPU-WKKBHVDPSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJRRIATRJCIOK-GXDHUFHOSA-N", "SMILES:CCCCCCCCC/C=N/NC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2365779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFPJYVFAIGEKQ-AWNIVKPZSA-N", "SMILES:N=C(N)N/N=C/c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSUJGWFVVSUAAO-AATRIKPKSA-N", "SMILES:CC(C)(O)/C=C/C1=CC(=O)C=CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBIIRJHDAZURT-QRIPLOBPSA-N", "SMILES:CCCCCCCCCC(=O)N[C@H](CO)C(=O)NC1=CC2(CO2)C(=O)C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDMMNAJAHGLHL-MJNLRFKNSA-N", "SMILES:CC(C)C/C=C/C=C/C(=O)NC1=CC(=O)[C@H]2O[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOSCPIQEYRQEO-LPHQIWJTSA-N", "SMILES:COc1c(O)c(C)c(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)c(O)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5275693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWWQHCKLTXDWBD-LWORNQIPSA-N", "SMILES:CCCC[C@@H](C)/C=C(C)/C=C(\\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@H]2O[C@H]2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5291441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPLOIQOGHRAUFQ-MSOLQXFVSA-N", "SMILES:CCCCCCCCCCCC(=O)NC1=CC(=O)[C@H]2O[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483531", "category": ["biolink:ChemicalEntity"], "name": "ALTENUSIN", "xref": ["InChIKey:ADPBTBPPIIKLEH-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(-c2cc(O)c(O)cc2C)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNTNKSLOFHEFPK-UPTCCGCDSA-N", "SMILES:COc1c(O)c(C)c(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)c(O)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGKFLYJNJXEZAC-ATQCMVEHSA-N", "SMILES:C/C=C/C=C/C(=O)N[C@@H](CO)[C@H]1C=C(CCCCCC)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCXQUITYSDKHLR-CMJZMVGCSA-N", "SMILES:C/C=C/C=C/C(=O)N[C@@H](CO)[C@H]1CC(CCCCCC)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIYTYUXODGCRQ-ZVHZXABRSA-N", "SMILES:N=C(N)N/N=C/c1ccc(Oc2cccc(OCc3ccccc3)c2)cc1"]}
{"name": "Sphingomyelin phosphodiesterase 2", "xref": ["CHEMBL.TARGET:CHEMBL5291605"], "id": "UniProtKB:O70572", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWQMEGRKIZNHA-SVXOKJCOSA-N", "SMILES:O=C(O)[C@H](CO)N(C/C=C/c1cccc2ccccc12)C/C=C/c1cccc2ccccc12"]}
{"name": "Sphingomyelin phosphodiesterase 2", "xref": ["CHEMBL.TARGET:CHEMBL4712"], "id": "UniProtKB:O60906", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOHSMGAVJHNCMV-MPHNEHSDSA-N", "SMILES:C[C@@H](C(=O)O)N(C/C=C/c1cccc2ccccc12)C/C=C/c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1514251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDQKMUCWBRINRA-IAGONARPSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHAKRWLZDRRATP-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(C2NC(=S)NC(C)=C2C(=O)Nc2ccccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZSMXNVIOYDGD-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2cccs2)n1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPIDDPFGMUQPX-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(Nc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDHUIFCKVDWPW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(OCC)c(NC(=O)C2=C(C)NC(=S)NC2c2ccc(N(CC)CC)cc2)c1"]}
{"name": "Sphingomyelin phosphodiesterase 3", "xref": ["CHEMBL.TARGET:CHEMBL4523470"], "id": "UniProtKB:Q9NY59", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sphingomyelin phosphodiesterase 3", "xref": ["CHEMBL.TARGET:CHEMBL4523130"], "id": "UniProtKB:O35049", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWJHFRMXJOJEE-GOSISDBHSA-N", "SMILES:COc1ccc(-c2c(C)cc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCBRQMADJFMOSM-OAQYLSRUSA-N", "SMILES:COc1ccc(-c2c(C)cc3c(N4CC[C@@H](NC(=O)Oc5ccccc5)C4)cc(C)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWGYJGSXRPXSI-WMZOPIPTSA-N", "SMILES:CN1c2ccc(OC(=O)Nc3ccccc3)nc2[C@]2(C)CCO[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTVCQIIFMKONLM-WMZOPIPTSA-N", "SMILES:CN1c2ccc(OC(=O)Nc3ccncc3)cc2[C@]2(C)CCO[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMBVAEXRQVWGSC-WMZOPIPTSA-N", "SMILES:CN1c2ccc(OC(=O)Nc3cccnc3)cc2[C@]2(C)CCO[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHUUBOKSMNHSM-LEWJYISDSA-N", "SMILES:CCCCCCC[C@@H](O)[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCC"]}
{"name": "Sphingomyelinase C", "xref": ["CHEMBL.TARGET:CHEMBL5291588"], "id": "UniProtKB:P11889", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1396"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZICIEHKXNHURK-FCHUYYIVSA-N", "SMILES:CCCCCCC[C@@H](O)[C@H](CCCP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COLUKHPRGNFQGZ-VQTJNVASSA-N", "SMILES:CCCCCCC[C@@H](O)[C@H](CNP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPICCKWSIFOOAM-VQTJNVASSA-N", "SMILES:CCCCCCC[C@@H](O)[C@H](CC(F)(F)P(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUHFKFXBKQXQD-WTEFMJPDSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COCc1cccc(-c2ccccn2)n1)NC(=O)CCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHKEYSOXIOPGY-QOFCPZNDSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COCc1cccc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOIDUPZQOKFSOW-AZGAKELHSA-N", "SMILES:CCCCCC(=O)N[C@@H](COCc1cccc(-c2ccccn2)n1)[C@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MALBQEMKPLLDHN-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)n1Cc1ccccc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXNGGQJZNQYUJZ-MRXNPFEDSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1Cc1ccccc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOOYHBPHFVNWNH-OAHLLOKOSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1Cc1ccc(F)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUCLBJMUGCQTF-UHFFFAOYSA-N", "SMILES:CC(Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUCLBJMUGCQTF-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUCLBJMUGCQTF-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWXKVYZPSGKFIC-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1ncnc2c(OC)c(OC)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVZHCNAFFDJBQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(C(C)c3cccc(Cl)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBIIFKJMNRPNMT-CQSZACIVSA-N", "SMILES:COc1cc2ncnc(N3CC[C@@H](Oc4cnc5ccccc5n4)C3)c2cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTWFJKBZGMYCS-WIYYLYMNSA-N", "SMILES:COc1ccc(Cc2nc(=O)c3c(C)nc([C@H](CCCc4ccccc4)[C@@H](C)O)n3[nH]2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISGWKBRIFXTKG-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(F)c(-c2nc(C)c3nnc4ccc(OC)nc4n23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIKPPWRGOSMCX-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(F)c(-c2nc(C)c3nnc4ccc(OCCF)nc4n23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAUDMPJASNSMFC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(-c2nc(C)c3nnc4ccc(-c5ccnc(F)c5)cc4n23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQPYMNITEROIMR-UHFFFAOYSA-N", "SMILES:CC(C)(O)C(NC(=O)N1CC(=O)Nc2cccnc21)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEJVBPWTLHJFHW-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)c1cnn2cccnc12)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPARLOLYJZFLKX-HNNXBMFYSA-N", "SMILES:Cc1cnc2c(C(=O)N[C@@H](c3ccc(OC(F)(F)F)cc3)C(C)(C)O)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXMZXPQNCNEBPD-KRWDZBQOSA-N", "SMILES:Cc1ncn(-c2nc3c(C(=O)N[C@@H](c4ccc(OC(F)(F)F)cc4)C(C)(C)O)cnn3cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBUZOUXXHZCFB-LDTOLXSISA-N", "SMILES:COc1ccc([C@]2(C#N)CC[C@H](C(=O)O)CC2)cc1OC1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMCETJRBWLDAB-UHFFFAOYSA-N", "SMILES:N#CC(c1ccc(OC(F)F)c(OC2CCCC2)c1)c1ccc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL144649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPNXCHISHWKQD-HUUCEWRRSA-N", "SMILES:COc1ccc([C@H]2CCN3C(=O)NC[C@H]23)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZCJXCHQGNVKN-CHWSQXEVSA-N", "SMILES:O=C1NC[C@@H]2[C@@H](c3ccc(OC(F)F)c(OCC4CC4)c3)CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRVKKFLTBQINJK-KRWDZBQOSA-N", "SMILES:O[C@@H](CN1CCOCC1)Cn1ccc(-c2ccc(OC(F)F)c(OC3CCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRVKKFLTBQINJK-QGZVFWFLSA-N", "SMILES:O[C@H](CN1CCOCC1)Cn1ccc(-c2ccc(OC(F)F)c(OC3CCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYXAZOSWFSIDOA-UHFFFAOYSA-N", "SMILES:CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(=O)CC4)ccc3OCC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVAXOHCNVYSJEB-WIYYLYMNSA-N", "SMILES:CCN1CC(=O)N2[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVANOXIAOYTXBY-ANHUGMMASA-N", "SMILES:O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1CCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVANOXIAOYTXBY-ZBWWXOROSA-N", "SMILES:O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1CCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKJYYMHPLWVQZ-AFPLUKJUSA-N", "SMILES:COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC4CCN(Cc5ccccc5)CC4)CC(=O)N23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPNATJJVWGEEP-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2ncnc3sc4c(c23)CCCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRFKHSBKSOGIJ-SUMWQHHRSA-N", "SMILES:CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Br)s3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPIHPADNHDARBD-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3cccs3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INDKHRIZOIEPIG-UHFFFAOYSA-N", "SMILES:CCc1nnc2c3ccccc3nc(Nc3cccc(C(=O)O)c3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPXPXOAFQCNBS-QMMMGPOBSA-N", "SMILES:C[C@@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPSRHLQBYNNJP-GFCCVEGCSA-N", "SMILES:COc1ccc(CN[C@H](C)c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXYQDUARBDJPU-BHGWPJFGSA-N", "SMILES:Oc1ccc2ccccc2c1/C=N/Nc1ncnc2c1C1CCCCC1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXNTFCQBBJOBA-WTNCMQEWSA-N", "SMILES:C[C@@H](NC(=O)/C=C/c1cccc(O)c1)c1nc2c(cnn2C2CCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSDMIVMZJMIPH-HIFRSBDPSA-N", "SMILES:C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2c(cnn2C2CCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQLWXRPFMEXKG-ZVBGSRNCSA-N", "SMILES:Brc1ccccc1/C=N/Nc1ncnc2c1C1CCCCC1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTROLECZHRVLFM-JTQLQIEISA-N", "SMILES:COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTROLECZHRVLFM-SNVBAGLBSA-N", "SMILES:COc1ccc2c(N[C@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTTDIGGNYFTEAC-ZFNBISBQSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2OC)[C@H](Cc2c[nH]c3ccccc23)NC12C(=O)Nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNXRJVOLCWAMHV-HDXZJQDKSA-N", "SMILES:COc1cccc([C@@H]2[C@H](Cc3c[nH]c4ccccc34)NC3(C(=O)Nc4ccccc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNECQBIPECTYJA-ZKYHXBHASA-N", "SMILES:COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H](Cc2c[nH]c3ccccc23)NC12C(=O)Nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJDVHYGWBJVHBY-HDXZJQDKSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(C)cc2)[C@H](Cc2c[nH]c3ccccc23)NC12C(=O)Nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNHKOXKHRMMEF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)Oc2c(c(=O)oc3cc(Cl)ccc23)C12C(=O)Nc1ccc(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZESACQXNVVRQJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)N(Cc1ccccc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWXXUHXZWLOHS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)Nc1ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSLOOASRIMZQEA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N2CCC([N+]3(C)CCCC3)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASEDRENIXYQKTG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCCCCC3)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEISGAHKMOISPP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N2CCC(NCc3ccccc3)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWRLQEZPMWQSMV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTSQCWXGPYGBL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N2CCC(N3CN4CCC3CC4)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYFJBRFRYIEECW-UHFFFAOYSA-N", "SMILES:CC1CCN(C2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWPWQYEHFUXOH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJAIMZQEHFFCX-UTUGBIRNSA-N", "SMILES:CCC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWWGPDUSYQGPM-HQRJMKCBSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVTLGFBWKWJJJT-BNELBPEVSA-N", "SMILES:CC(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJXDSLNVWJGLIS-IAVJCBSLSA-N", "SMILES:CC(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASHVLCILWPMAKS-WCLCNARLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYUOZHKFMGOAS-WBVMMGACSA-N", "SMILES:C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUQMWZKEEWRARY-BUHFOSPRSA-N", "SMILES:Cc1ccccc1-n1c(/C=C/c2nnc(-c3ccc(C#N)cc3)o2)nnc1-c1ccc(S(C)(=O)=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOPOPFZLTYYWDV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nc(O)c3c(n2)CCSC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNDLMRDKBWGLD-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(NS(=O)(=O)c3cc(C)c(C)cc3C)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAGVUUVAKVRERC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)Nc2n[nH]c(Nc3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKGFCIJGFFTAPD-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(NS(=O)(=O)c3cc(C)c(C)cc3C)n[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXNVZBSUVRRED-UHFFFAOYSA-N", "SMILES:Cc1cc(SC(=O)O)c(S(=O)(=O)Nc2n[nH]c(Nc3ccccc3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOKIXUVWHCBLA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)Nc2n[nH]c(Nc3ccc4ccccc4c3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590510", "category": ["biolink:ChemicalEntity"], "name": "PICRININE", "xref": ["InChIKey:BDXYPHKGNUGUFG-VETGLWQVSA-N", "SMILES:C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHIQQWYKJSVXNX-KMEMYNQVSA-N", "SMILES:CC(=O)O[C@@H]1[C@H]2C[C@@H]3N([C@@H]4C[C@]15c1ccccc1N[C@]35O4)[C@@H](C)C2CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651108", "category": ["biolink:ChemicalEntity"], "name": "SCHOLARICINE", "xref": ["InChIKey:GNCUCBQZLQLSOF-IGWMUPSQSA-N", "SMILES:COC(=O)C1=C2Nc3c(O)cccc3[C@@]23CCN2C[C@@H]([C@H](C)O)[C@@H]1C[C@H]23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKSIYFJGCTTET-DIYYJNGXSA-N", "SMILES:C/C=C1/CN2CC[C@@H]1[C@@](CO)(C(=O)OC)c1[nH]c3ccccc3c1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFVZQUWUFAMLKS-KFXMEGBXSA-N", "SMILES:C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@]2(OC)C[C@@H]1[C@@]5(C=O)OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCMGLXALZBDQDR-VYMZDHQLSA-N", "SMILES:C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@]2(OC)C[C@@H]1[C@@]5(CO)OC(C)=O.CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFDZWKPMBVXQH-NMTLSGTMSA-N", "SMILES:C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@]2(OC)C[C@@H]1[C@@]5(COC(C)=O)OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCCTWWMVBSFEKY-HAXMQHFQSA-N", "SMILES:C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTJJIBURSBTUAR-JKSUJKDBSA-N", "SMILES:CC(C)CC(=O)NC[C@H](O)CC[C@@H](CO)NC(=O)c1nc2ccccc2cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5285484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAGWXVWJYTEEG-IVZHQMGZSA-N", "SMILES:CC(C)CC(=O)NC[C@H]1CC[C@H](NC(=O)c2nc3ccccc3cc2O)[C@H](O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCZIKZULRVBMC-DJPXHEGWSA-N", "SMILES:COc1cc2c(cc1OC)[C@H]1CCN(C2)C(=O)[C@@H](O)[C@H](O[C@@H]2O[C@H](C)[C@@H](OC)[C@@H]3OCOCO[C@@H]23)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJNFCMXURWODF-UHFFFAOYSA-N", "SMILES:Oc1cc2c3c(c1O)c1cc4c(cc1c[n+]3CC2)OCO4.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKFNKLJPSTIOR-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCc2cc(O)c(OC)c3c4c(cc1c23)C(=O)C=C(OC)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZJKQJKQSWSEZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(cc3c4c(cc5c(c42)OCO5)CCN3C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOMMRYCQCASIA-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2cc3c4c(cc(O)c(OC)c4c2C1=O)CCN3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOVFEXLCRYBVRA-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2cc3c4c(cc(OC)c(OC)c4c2C1=O)CCN3C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5282595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECGQOSYWOCBET-DJPXHEGWSA-N", "SMILES:COc1cc2c(cc1OC)[C@H]1CCN(C2)C(=O)[C@@H](O)[C@H](O[C@@H]2O[C@H](C)[C@@H](OC)[C@H](OC)[C@H]2OC)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJECNGCASFZMDN-INXZTMFNSA-N", "SMILES:COc1c2c(cc3c1OCO3)[C@H]1CCN(C2)C(=O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](OC)[C@H](OC)[C@H]2OC)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAKJHGOXKKCISJ-RRFQCVKCSA-N", "SMILES:COc1cc2c(cc1O)CN1CC[C@H]2C(=O)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](OC)[C@H](OC)[C@H]2OC)[C@H](O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3918277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVBLTPZLQXANT-SPIWDTHZSA-N", "SMILES:CO[C@H]1[C@@H]2OCOCO[C@H]2[C@H](O[C@@H]2CC(=O)[C@@H]3CCN(Cc4cc5c(cc43)OCO5)C(=O)[C@H]2O)O[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBVXSGAOWUPMY-MBMZGMDYSA-N", "SMILES:COc1cc2c(cc1O)C(Cc1ccc(O)c(Oc3ccc(C[C@@H]4NCCc5cc(OC)c(O)cc54)cc3)c1)NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5274847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDOGSJLSGZHGL-YPSNKEEUSA-N", "SMILES:CC[C@H](CCCC[C@@H]1/C=C\\CN/C=C\\C1)C[C@@H]1CCC(=O)ON1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1526855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVNGUFUOKYOUJL-UHFFFAOYSA-N", "SMILES:CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUMTYLUQASJLS-WPDLWGESSA-N", "SMILES:CCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=N)N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRXOQXUDKDCXME-QWKHPXNBSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)N(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL287150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWUZIQQURGPMPG-CCEZHUSRSA-N", "SMILES:CCCCCCCCCCCCC/C=C/C(O)C(N)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3086782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZGDDYZTNXXNG-SFHVURJKSA-N", "SMILES:CCCCCCCCc1ccc(-c2noc([C@@H]3CCCN3C(=N)N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBIOQXBDQQFDRE-VXKWHMMOSA-N", "SMILES:CCCCCCCCOc1ccc2cc(-c3noc([C@@H]4[C@@H](O)CCN4C(=N)N)n3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUOAECMLLBZNL-KRWDZBQOSA-N", "SMILES:CCCCCCCCOc1ccc(-c2noc([C@@H]3CCCN3C(=N)N)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNSURNWEBXGVSP-XNTDXEJSSA-N", "SMILES:COc1ccc2[nH]c(=O)c(/C=C/C(=O)c3ccc(Nc4nccc(-c5ccc6ccccc6c5)n4)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVLJLOMWIOMFA-UHFFFAOYSA-N", "SMILES:Brc1cc2c(c3ccccc13)N1OC(C2)CC1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447577", "category": ["biolink:ChemicalEntity"], "name": "PACHASTRISSAMINE", "xref": ["InChIKey:FBQCDJRSCUVUFL-BZSNNMDCSA-N", "SMILES:CCCCCCCCCCCCCC[C@@H]1OC[C@H](N)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL466394", "category": ["biolink:ChemicalEntity"], "name": "2-EPI JASPINE B", "xref": ["InChIKey:FBQCDJRSCUVUFL-KSZLIROESA-N", "SMILES:CCCCCCCCCCCCCC[C@H]1OC[C@H](N)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZTVWYPNKDHRGS-IKGGRYGDSA-N", "SMILES:CCCOCCCCCCCCCC[C@@H]1OC[C@@H](N)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1819205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBQCDJRSCUVUFL-SQNIBIBYSA-N", "SMILES:CCCCCCCCCCCCCC[C@@H]1OC[C@@H](N)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL398940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNAQZHMIAKQOK-UHFFFAOYSA-N", "SMILES:NCCNCCN1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRCPLBFLOSEABN-BEVDRBHNSA-N", "SMILES:CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(N)=O"]}
{"name": "Disintegrin and metalloproteinase domain-containing protein 17", "xref": ["CHEMBL.TARGET:CHEMBL4379"], "id": "UniProtKB:Q9Z0F8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIQCBIEAHJAMZ-RMTCENKZSA-N", "SMILES:CC(C)CC(CC(=O)NO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCCN)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBAEYGTXNTGBB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1c(=O)sn(-c2cccc3ccccc23)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVWIUIAWUKQQH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYNPCEUBSGNIIR-VJBMBRPKSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NC2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL263634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITOFRSPGLYHSJ-QFIPXVFZSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)OCC(=O)N1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJVHAJJEMJNPHN-WEVVVXLNSA-N", "SMILES:C/C(=N\\NC(N)=S)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKFYGSWCJGXEJY-QFIPXVFZSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQSOZXIXPNDJW-MRDQGFSESA-N", "SMILES:COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPFCOAAFQTVTM-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)C(Cc1ccc(F)cc1)CN2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILABDIIUACNAAN-ZPAWJIGKSA-N", "SMILES:CC(=O)N[C@H](CSCCCCCCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKAQMVCFMYFPNO-CCEYQUQCSA-N", "SMILES:CC1=C(C)C2C(c3ccc(Cl)cc3)N[C@@](C)(CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)c3nnc(C)n3C2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEHQGWGMMKWAX-NIQMDXQVSA-N", "SMILES:Cc1ncsc1-c1ccc2c(c1)OCCOCCOC[C@@H](NC(=O)C[C@@H]1N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc31)COCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTVJNLOILHEKO-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(C(=O)N2CCN(C(=O)c3cc(CN4CCN(C(=N)N)CC4)cc([N+](=O)[O-])c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBVRETRIDAQSEM-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(CN2CCN(C(=N)N)CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNGXPSMRIIDMB-GXFPDHQKSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKFDVVVXDBGKK-UHFFFAOYSA-N", "SMILES:CSCCc1nc(-c2cccc(N)c2)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMICNUMTHQLBEV-UHFFFAOYSA-N", "SMILES:CSCCc1nc(-c2cc(N)ccc2Cl)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3134309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDACHIYNXYKRLR-UHFFFAOYSA-N", "SMILES:CSCCc1nc(-c2cccc(NC(=N)N)c2)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNOHXHDWGCMVCO-XDNQMCPQSA-N", "SMILES:COc1c(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc(O)c2c(=O)cc(-c3ccccc3)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5291138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFBWGSSOYLFQJE-UHFFFAOYSA-N", "SMILES:C#CCSc1nc(Sc2nnnn2-c2ccccc2)c2nnn(Cc3ccccc3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNUWRYEWOFGTK-UHFFFAOYSA-N", "SMILES:COCc1cccc(NC(=O)c2cc3ccccc3n2C)c1COc1ccc(OC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INZAUUKXLMYOLF-UHFFFAOYSA-N", "SMILES:CN(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHYOBVLVNZRIFT-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVZZIKPXIQYQN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYNHFPJGPIGMCE-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKLFWKAFKLZDK-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3ccc(O)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446357", "category": ["biolink:ChemicalEntity"], "name": "EBVACICLIB", "xref": ["InChIKey:QIEKHLDZKRQLLN-FOIQADDNSA-N", "SMILES:C[C@@]1(O)CCC[C@H]1n1c(=O)c(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21"], "synonym": ["Ebvaciclib", "Ebvaciclib", "Pf-06873600", "PF-06873600", "Ebvaciclib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOMCSNUEHMROO-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOLUQIAJRPDPW-QGMBQPNBSA-N", "SMILES:CN(C)CC/C=C1\\c2ccccc2COc2ccc(CC(=O)NN)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZDLIXBHFOMJL-UHFFFAOYSA-N", "SMILES:Cc1nc2c(c(C)c1O)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672002", "category": ["biolink:ChemicalEntity"], "name": "THYMOQUINONE", "xref": ["InChIKey:KEQHJBNSCLWCAE-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)C(C(C)C)=CC1=O"], "synonym": ["P-cymene-2,5-dione", "P-mentha-3,6-diene-2,5-dione", "Thymoquinon", "Thymoquinone", "NSC-2228"], "chembl_natural_product": true}
{"name": "Delta and Notch-like epidermal growth factor-related receptor", "xref": ["CHEMBL.TARGET:CHEMBL5291567"], "id": "UniProtKB:Q8NFT8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFLGLKEAANGNN-RBDVLXGPSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](OC(=O)CBr)C[C@@H]1O"]}
{"name": "Gamma-secretase-activating protein", "xref": ["CHEMBL.TARGET:CHEMBL3638343"], "id": "UniProtKB:A4D1B5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUROVTLUQOYUPH-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYVWSXXYHBZTO-KDJNBPRZSA-N", "SMILES:CO[C@@H]1[C@H](OC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CSc2nc3c(=O)[nH]c(N)nc3n2Cc2ccc(F)cc2)NC(C)=O)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXWLRCVYHPVERM-UHFFFAOYSA-N", "SMILES:CCc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c(F)c1"]}
{"name": "Stefin-3", "xref": ["CHEMBL.TARGET:CHEMBL5291583"], "id": "UniProtKB:P35173", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTOSQZJXSCCBQX-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3nccs3)cc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXMFSSSINTTTQ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3099716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTAONPFQLNZKSD-XJABCFGWSA-N", "SMILES:CC1(C)OC(=O)N([C@H]2CC[C@H](c3cnc(N)c(-c4ncccn4)c3)CC2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHBYLOWAINBPRJ-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(-c2nc3c(F)cc(F)cc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASROOIKQQJQSJ-UHFFFAOYSA-N", "SMILES:CN1CCCc2c1cc(-c1ccc(Br)cc1)[nH]c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVXWJADDFXFIL-UHFFFAOYSA-N", "SMILES:COc1cccc2c(=O)[nH]c(-c3ccc(C)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVUDOUAVPTCLH-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)[nH]c(-c3ccc(Br)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2314698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKKOAKRYQQEBT-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYWAGVRXKSNLL-DEOSSOPVSA-N", "SMILES:CC1(C)OC(=O)N(c2ccc(C(=O)Nc3cccc4cccnc34)cc2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VADYPHREEXKWAX-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)[nH]c(CCC(=O)Nc3ccc(C(=O)Nc4cccc5cccnc45)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HILQRGHXDPSDBM-UHFFFAOYSA-N", "SMILES:O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(C(=O)Nc2cccc3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOSJEJRUSBEYTM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc(NC(=O)CCSc3nc4ccccc4c(=O)[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWVLHPKZNBSBE-OUKQBFOZSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(C#N)cc4)o3)n2-c2ccccc2Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXQZQOGBFSTTQ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)[nH]c3c(c12)COC(C(C)(C)CO)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATKUAGKPMXLEFZ-PEEMADJISA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]4CCn5cc(nn5)-c5cc(C(=O)O)cc(c5)C5=CN(CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC4=O)NN5)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTYROCDQNNOKMO-ZCNIMSFQSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CCCCn2cc(nn2)CCCCCc2cn(nn2)CCCC[C@H](C(=O)N[C@H](CCC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTXCFCMLBOEEZ-XLHVDBRGSA-N", "SMILES:CC[C@H](C)[C@H]1NC(=O)[C@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)CCC/C=C/CCC[C@](C)(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZAAFQTELBCAI-GDKZHRICSA-N", "SMILES:CC[C@H](C)[C@H]1NC(=O)[C@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC/C=C/CCC[C@](C)(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBPLJGUEIUVSOO-OLKTYZICSA-N", "SMILES:CC[C@H](C)[C@H]1NC(=O)[C@](C)(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC/C=C/CCC[C@](C)(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIVONMEFNDYFD-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)c1nc3nonc3nc1n2CCc1nn[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVAHFIQCOJFIE-UHFFFAOYSA-N", "SMILES:O=C(O)CCCn1c2ccccc2c2nc3nonc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVHPNKSEYEMPJ-UHFFFAOYSA-N", "SMILES:Nc1nonc1NC(=O)Cn1c2ccccc2c2nc3nonc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSWJENGNAPRTN-LSCVHKIXSA-N", "SMILES:Nc1nonc1C(=O)N/N=C1/c2ccccc2-c2nc3nonc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNVRPFTVXTCDL-KBLPGWQZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)CCC/C=C\\CCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N(c2ccc3ccccc3c2)[C@@H](C)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDQASORIENYXFW-WWZPNFBUSA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](CCCNC(=N)N)CN(CC(=O)N[C@@H](CCCNC(=N)N)CN(CC(=O)NC(CC(C)C)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCCNC(=N)N)CN(CC(=O)N[C@@H](C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(N)=O)SCc1ccccc1)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CCN)S(=O)(=O)CC(C)C)C(C)O)S(=O)(=O)CCN)S(C)(=O)=O)S(C)(=O)=O)S(=O)(=O)CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMYIEVVCZIHFM-UIOOFZCWSA-N", "SMILES:O=C(Nc1ccc(-c2ccc(F)cc2)c(O[C@H]2CCNC2)c1)c1ccc(O[C@H]2CCNC2)c(-c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNGMSKQUOOSCJA-GASCZTMLSA-N", "SMILES:O[C@H]1CC[C@@H](Oc2cccc3nc(Nc4ccc5nc[nH]c5c4)ncc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOAMCXQNEWOXJV-UHFFFAOYSA-N", "SMILES:OCCCc1c(F)cc(OCc2c(-c3ccc(Cl)cc3)csc2C(F)(F)F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOGALHZYZVCEI-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Oc2cccnc2)cc(N2Cc3ccccc3S2(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTLWULQQFNNGR-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1ccc(OCC2=C(c3ccc(C4CC4)cc3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFYJPCTHYAWGQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1ccc(OCC2=C(c3ccc4c(c3)CCCC4)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQIJRPXJARBILB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(COc3ccc(CCCC(=O)O)cc3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255465", "category": ["biolink:ChemicalEntity"], "name": "DEBROMOHYMENIALDISINE", "xref": ["InChIKey:JYRJOQGKGMHTOO-VURMDHGXSA-N", "SMILES:NC1=N/C(=C2/CCNC(=O)c3[nH]ccc32)C(=O)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL481333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPPSGXPGZSJCP-FLIBITNWSA-N", "SMILES:NC1=NC(=O)/C(=C2\\CCNC(=O)c3[nH]c4ccccc4c32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYVWXTNYDWBPMQ-RAXLEYEMSA-N", "SMILES:NC1=NC(=O)/C(=C2\\CCNC(=O)c3[nH]c(-c4ccccc4)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWOPNZXELLFNIM-GDNBJRDFSA-N", "SMILES:COc1ccc(-c2cc3c([nH]2)C(=O)NCC/C3=C2/NC(N)=NC2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1944823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDENCTREVLUWAN-KAMYIIQDSA-N", "SMILES:CNC1=NC(=O)/C(=C2\\CCNC(=O)c3[nH]c(-c4ccccc4)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXWAXAUREDULKW-JZJYNLBNSA-N", "SMILES:O=C1N=C(NCc2ccccc2)N/C1=C1/CCNC(=O)c2[nH]c(-c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOZXVZCZUBSOR-TWGQIWQCSA-N", "SMILES:N#Cc1csc2c3c([nH]c12)C(=O)NCC/C3=C1/NC(N)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITKTAJHKVYGTC-UTCJRWHESA-N", "SMILES:NC1=NC(=O)/C(=C2\\CCNC(=O)c3[nH]c(Br)c(Br)c32)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1944822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOBUAIGXIPFAV-SSZFMOIBSA-N", "SMILES:CCCNC1=NC(=O)/C(=C2\\CCNC(=O)c3[nH]c(-c4ccccc4)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHNMECMUBMMQO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1[nH]cc2c1-c1[nH]c3ccccc3c1C(=O)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRDTYGBQEWABDM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2c([nH]1)-c1[nH]c3ccccc3c1C(=O)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXZJFKBQRMFGSY-UHFFFAOYSA-N", "SMILES:NCCCCOc1ccc2c(c1)C1Nc3ccc(Br)cc3C1CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659477", "category": ["biolink:ChemicalEntity"], "name": "VAROGLUTAMSTAT", "xref": ["InChIKey:XHIKZWOEFZENIX-GOSISDBHSA-N", "SMILES:CCCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1"], "synonym": ["Varoglutamstat", "Pq912", "Varoglutamstat", "PQ-912", "PQ912"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMDQFRWRSOCPC-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIAENDKZVMSEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2c(CO)cnc3c(N4CC(F)C4)cc(C#N)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVUFHLTJMRFBO-UHFFFAOYSA-N", "SMILES:CCc1cc(C#N)cc2c(NCc3ccc(OC)c(Cl)c3)c(COCCF)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVUFHLTJMRFBO-FNNGWQQSSA-N", "SMILES:CCc1cc(C#N)cc2c(NCc3ccc(OC)c(Cl)c3)c(COCC[18F])cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIAENDKZVMSEJ-MIGPCILRSA-N", "SMILES:COc1ccc(CNc2c(CO)cnc3c(N4CC([18F])C4)cc(C#N)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKLAYQKTVKJCY-VNRZBHCFSA-N", "SMILES:Cc1nc2ccc(CN3CCOCC3)cc2n2c(-c3c([18F])cccc3Cl)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJCENMHNPMXLK-LRFGSCOBSA-N", "SMILES:COc1ccc2nnc3c(C)nc(-c4cc(OCCC[18F])ccc4F)n3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWIFWBBQCOIOLL-GJQNQZCXSA-N", "SMILES:COc1ccc2nnc3c(C)nc(-c4cc(OCCCC[18F])ccc4F)n3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIKPPWRGOSMCX-KVTPGWOSSA-N", "SMILES:CCCCOc1ccc(F)c(-c2nc(C)c3nnc4ccc(OCC[18F])nc4n23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAUDMPJASNSMFC-MIGPCILRSA-N", "SMILES:COc1ccc(Cl)c(-c2nc(C)c3nnc4ccc(-c5ccnc([18F])c5)cc4n23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOOBRKWMCUHJL-KTXUZGJCSA-N", "SMILES:Cc1ccc(C)n2nc(CCc3nc(-c4ccccc4)cn3[11CH3])nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEZURWNYQWWNB-FNNGWQQSSA-N", "SMILES:Cc1cnc(COc2ccc(-c3nn(CC[18F])cc3-c3ccncc3)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1915747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSASUFSNRSZFA-FMLNDMEQSA-N", "SMILES:[18F]CCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCZTLPFRMEYFM-NUTRPMROSA-N", "SMILES:COc1cc2nncc(-c3cnc(NC(C)C)c(C)c3)c2cc1O[11CH3]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3319209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPDAYJZIRPRFQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWONINZVPVTBGN-FMLNDMEQSA-N", "SMILES:CC([18F])C(=O)N1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNRPQGUCPDTACZ-XNJXNPSASA-N", "SMILES:[11CH3]N(c1cc(N2CC[C@@H](F)C2)nc2cc(-c3cnc4c(n3)CCCC4)nn12)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQQSVKFDVADLG-BJUDXGSMSA-N", "SMILES:[11CH3]Oc1cn(-c2ccc(C3CCOCC3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPSIWJQMKSUTMK-ZPJBFSETSA-N", "SMILES:Cc1ccc2c(=O)n(-c3ccc4cnn(CC[18F])c4c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJZEJXWPNGPPD-IZYGCTIASA-N", "SMILES:Cc1ccc2c(=O)n(-c3ccc(OC[18F])cc3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFKDMBHAUPXODT-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3974407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCPXRIBIDATENX-UHFFFAOYSA-N", "SMILES:O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2132713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNWFXKVXRZIGO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHNDCCKFNWDQGW-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJZKWIAOIBWJA-UHFFFAOYSA-N", "SMILES:CCCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXVMIBCJRNBBP-UHFFFAOYSA-N", "SMILES:CCC(C)Sc1nc2c(c(=O)n1-c1ccccc1)SCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBOKJHTYLICFD-UHFFFAOYSA-N", "SMILES:CCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBGBTOPSYUIPQM-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)N=CN(CCCN(C)C1CCCCC1)C3"]}
{"name": "Microtubule-associated protein tau", "xref": ["CHEMBL.TARGET:CHEMBL1075117"], "id": "UniProtKB:P19332", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHPVKFPUKJAVFK-AZOUZOSFSA-N", "SMILES:CC1=C(C)C1C(=O)NCCN(CC(N)=O)C(=O)CN(CCCCN(C)C(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5ccc(C6CCN(C)CC6)cc5[nH]4)cc3[nH]2)c1)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)CN(CCN(C)C(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5ccc(C6CCN(C)CC6)cc5[nH]4)cc3[nH]2)c1)C(=O)CNC(=O)Cc1ccc(-c2nnc(C)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBGGWUWLDYZKP-MHKGRQNNSA-N", "SMILES:C#CC(=O)NCCCCCC(=O)N(CCN(C)C(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3[nH]2)c1)CC(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(CCCCN(C)C(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3[nH]2)c1)CC(=O)N(CCCN=[N+]=[N-])CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOXCLRULBKPBQO-UHFFFAOYSA-N", "SMILES:CC(=N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSJPUASDIZJEIY-IJNTWREGSA-N", "SMILES:Cl.N=C(N)N/N=C\\c1ccc(-c2cccc(-c3ccc(/C=N/NC(=N)N)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEAOPIFQAGJVBO-UFFVCSGVSA-N", "SMILES:N=C(N)N/N=C/c1ccc(-c2cc(-c3ccc(Br)cc3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWWEUWWKOKGQT-RCIYGFKVSA-N", "SMILES:Cn1nc(-c2ccc(F)cc2)cc1-c1ccc(/C=N/NC(=N)N)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMMDXYUIFMPSN-FYEZMLSJSA-N", "SMILES:N=C(N)N/N=C/c1ccc(-c2cc(-c3ccc(F)cc3)n[nH]2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFKHMMXYQCPTG-GZPZNDDGSA-N", "SMILES:COc1ccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(/C=N/NC(=N)N)cc2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOVURQYPZJSJX-OCWNPBFHSA-N", "SMILES:Cn1nc(-c2ccc(/C=N/NC(=N)N)cc2)cc1-c1ccc(/C=N/NC(=N)N)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTRZCOVUZKXXSU-KTMKIAGUSA-N", "SMILES:COc1ccc(Cn2nc(-c3ccc(/C=N/NC(=N)N)cc3)cc2-c2ccc(/C=N/NC(=N)N)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKSCKXBIHBGHEC-JVWAILMASA-N", "SMILES:CC(C)(C)c1ccc(-c2cccc(-c3ccc(/C=N/NC(=N)N)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPVWRQSCGXQRV-AIAMJZJGSA-N", "SMILES:Br.Br.C(=N\\NC1=NCCN1)\\c1ccc(-c2cc(-c3ccc(/C=N/NC4=NCCN4)cc3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBQWUTIBZUOLJD-FYEZMLSJSA-N", "SMILES:Cl.N=C(N)N/N=C/c1ccc(-c2cc(-c3ccc(F)cc3)on2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QINDROJWBBGDDK-MLBBSRCHSA-N", "SMILES:Cl.Cl.N=C(N)N/N=C\\c1ccc(-c2cc(-c3ccc(/C=N\\NC(=N)N)cc3)[nH]n2)cc1"]}
{"name": "Acid-sensing ion channel 3", "xref": ["CHEMBL.TARGET:CHEMBL5368"], "id": "UniProtKB:Q9UHC3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPLZLMGSYGDMA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)oc3c(O)c(O)ccc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPXGEDGFPFAGRC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2-c2cc(Br)c(OC)c(OC)c2)cc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWXZZFONXWYSEF-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQXNQKAEROQGAD-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKATYZMBJKQQKB-UHFFFAOYSA-N", "SMILES:CCCCCn1c(N)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCTFAPBPHMREKD-UHFFFAOYSA-N", "SMILES:CCCCCn1c(N)nc2c3ccccc3ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARGABNXFFJRQDC-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cccc3c(C(N)=O)cnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHNAAGVKKICST-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPBUIYRVIADVFD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3nc(NCCN4CCOCC4)c4ccccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBYTZUKDHGZUMC-UDWIEESQSA-N", "SMILES:C/C(=N\\NC(=O)c1cc2ccccc2cc1O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAMRJKRVUINBNP-DEDYPNTBSA-N", "SMILES:C/C(=N\\NC(=O)c1cc2ccccc2cc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOPUFMFRBYKQW-UDWIEESQSA-N", "SMILES:C/C(=N\\NC(=O)c1cc2ccccc2cc1O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBERGUSNNHPWRM-FYJGNVAPSA-N", "SMILES:COc1ccc(/C(C)=N/NC(=O)c2cc3ccccc3cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBPCKSPJAAGNP-ZVHZXABRSA-N", "SMILES:C/C(=N\\NC(=O)c1cc2ccccc2cc1O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJJQRGPCYPHIZ-YBFXNURJSA-N", "SMILES:C/C(=N\\NC(=O)c1cc2ccccc2cc1O)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAECCYCIFIWLGL-WOJGMQOQSA-N", "SMILES:C/C(=N\\NC(=O)c1cc2ccccc2cc1O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3191452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLSATDULSZFJC-WOJGMQOQSA-N", "SMILES:C/C(=N\\NC(=O)c1cc2ccccc2cc1O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQNVXVGGOLZTJA-YBFXNURJSA-N", "SMILES:O=C(N/N=C/c1ccccn1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYIHDGGELGWPKR-LPYMAVHISA-N", "SMILES:O=C(N/N=C/c1ccc2ccccc2n1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1969712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCIFVFLEPKBJSP-VCHYOVAHSA-N", "SMILES:O=C(N/N=C/c1ccc[nH]1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVKYESZBXQTBOW-LICLKQGHSA-N", "SMILES:O=C(N/N=C/c1ccco1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJGDIHPRYUNFMJ-LICLKQGHSA-N", "SMILES:O=C(N/N=C/c1cccs1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQUZFYLBCOIFSN-UHFFFAOYSA-N", "SMILES:O=C(NN=C(c1ccccn1)c1ccccn1)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTMGUNROPSAPK-MHWRWJLKSA-N", "SMILES:C/C(=N\\NC(=O)c1ccccc1O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTDUNINELUDCZ-UHFFFAOYSA-N", "SMILES:O=C(NN=C(c1ccccn1)c1ccccn1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1088661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWUZZMMXCRNMJ-OQLLNIDSSA-N", "SMILES:O=C(N/N=C/c1ccccn1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNHTSYTFCZJMI-CXUHLZMHSA-N", "SMILES:C/C(=N\\NC(=O)c1c(O)cccc1O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXAAZOQRVNKROS-CXUHLZMHSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(O)cc1O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSKHXUEWZVPRF-UHFFFAOYSA-N", "SMILES:O=C(NN=C(c1ccccn1)c1ccccn1)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AERPFPYYQBPKKJ-MHWRWJLKSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(O)c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNLUCMLHJNZXRT-LFIBNONCSA-N", "SMILES:C/C(=N\\NC(=O)c1ccccc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOLNBUHFKFFHIK-GZTJUZNOSA-N", "SMILES:COc1ccccc1C(=O)N/N=C(\\C)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRRVLMBNJGBMJ-LICLKQGHSA-N", "SMILES:C/C(=N\\NC(=O)c1ccccc1N)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWNHCWIQKXLRIH-RQZCQDPDSA-N", "SMILES:C/C(=N\\NC(=O)c1cccnc1N)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1990174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXYYSWRPSXYFE-UDWIEESQSA-N", "SMILES:C/C(=N\\NC(=O)c1cc2ccccc2cc1O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQNNHXKZLRATI-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(CCc2cccc(C(F)(F)F)c2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHJMZEDSLDMMAV-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(CCc3cccc(C(F)(F)F)c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKEFHVLSPCSJQG-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2ccccc2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWIRUFZUVWQGP-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2ccccc2)CCC1(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWCSKCBLAGZJA-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2ccccc2F)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLEVPQVXCODVDU-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2cccc(F)c2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWAVFOCRMSSTA-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2ccc(F)cc2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDAARHNXOQGHB-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2ccccc2OC(F)(F)F)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAHBZLWFKOWESB-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2cccc(OC(F)(F)F)c2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAGLDFCFYIPXQM-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDPQNYBBXZGBB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CC(=O)N1CCC(O)(c2cccc(O)c2)C(CN(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHBLDBDWPGKTNZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)N2CCC(O)(c3cccc(O)c3)C(CN(C)C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGJTWGGJSUXMK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)N2CCC(O)(c3cccc(O)c3)C(CN(C)C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZKYGOFDBBGOOF-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2ccccc2Cl)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUHGHFXEMHKVJE-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2cccc(Cl)c2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPQGYPGSJNYQW-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2ccc(Cl)cc2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHZGTPZEPFTHC-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)CCc2ccccc2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNBPIJIYFJAJH-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)CCc2ccccc2C(F)(F)F)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTDVYVTDTUALJ-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)CCc2cccc(C(F)(F)F)c2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVQYICGTBGXBU-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)C(C)(C)c3ccccc3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBIXQKNBOMHGJ-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)C3(c4ccccc4)CC3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNKSWQUFACVPO-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)C3(c4ccccc4)CCC3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZKYPHKGKIMDNM-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)C3(c4ccccc4)CCCC3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAWZDTQURCKDAK-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)C3(c4ccccc4)CCCCC3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALQJRZZGDWBSC-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)CCc3cccc(C(F)(F)F)c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWAKRAXKHJLAE-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cccc(Cl)c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZBSXXWQZPHTJM-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3ccc(Cl)cc3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJUOSQYVHLWTBU-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRHHUJHFLPXGFM-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cccc(F)c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNAKXLRXFMCFJH-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRVJLWWVFBOEL-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cccc(Br)c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGDSNXARSJEOU-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKDXYVIKCUVUBW-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cccs3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGHFXSCDZPJEE-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3ccc4ccccc4c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWQSZZYTWGWRT-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cccc4ccccc34)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARRABFLPBUADK-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3c[nH]c4ccccc34)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PESYYVDGTBMCFO-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cn3ccc4ccccc43)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMDFENKDWRFUQU-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)Cc2cc(F)c(F)cc2F)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIFYIHXAMCCQF-UZUQRXQVSA-N", "SMILES:COc1cccc([C@]2(O)CCN(C(=O)Cc3cc(F)c(F)cc3F)C[C@H]2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMDFENKDWRFUQU-OPAMFIHVSA-N", "SMILES:CN(C)C[C@@H]1CN(C(=O)Cc2cc(F)c(F)cc2F)CC[C@@]1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIFYIHXAMCCQF-SBUREZEXSA-N", "SMILES:COc1cccc([C@@]2(O)CCN(C(=O)Cc3cc(F)c(F)cc3F)C[C@@H]2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMDFENKDWRFUQU-AOMKIAJQSA-N", "SMILES:CN(C)C[C@H]1CN(C(=O)Cc2cc(F)c(F)cc2F)CC[C@]1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMGJAYSULGKLZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRXBTBPWBHNAMD-UHFFFAOYSA-N", "SMILES:CN(C)CC1CN(C(=O)CCc2ccc(C(F)(F)F)cc2)CCC1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1066", "category": ["biolink:ChemicalEntity"], "name": "(R,R)-TRAMADOL", "xref": ["InChIKey:TVYLLZQTGLZFBW-ZBFHGGJFSA-N", "SMILES:COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1"], "synonym": ["Rel-Tramadol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5275138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKQGWMASPAJAL-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3ccccc3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZOVFLRZTMQINX-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3ccccc3Cl)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIMNVPHQSNSSBI-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cccc(OC(F)(F)F)c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIFYIHXAMCCQF-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cc(F)c(F)cc3F)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHIFPYDDCHKXFC-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3cccc(C#N)c3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLYFVHMNPEOGH-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cc3ccsc3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQORQTHDCGKUSG-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)Cn3cnnn3)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVPPIDHFXSBRO-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCN(C(=O)c3cc(F)c(F)cc3F)CC2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL48449", "category": ["biolink:ChemicalEntity"], "name": "CANTHARIDIN", "xref": ["InChIKey:DHZBEENLJMYSHQ-XCVPVQRUSA-N", "SMILES:C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1"], "synonym": ["Cantharidin", "Cantharidin", "Cantharidin", "Cantharidin", "Cantaridina", "Cantharides camphor", "Cantharidin", "Cantharidine", "Cantharidinum", "NSC-61805", "Ycanth", "Cantharidin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5268133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNDVLZJODHBUFM-MBHLHSRSSA-N", "SMILES:C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@H](C)[C@@H]4CC(C)=C[C@@]5(OC(C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL505512", "category": ["biolink:ChemicalEntity"], "name": "TAUTOMYCIN", "xref": ["InChIKey:RFCWHQNNCOJYTR-IRCAEPKSSA-N", "SMILES:CO[C@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUQMLSGOTNKJKI-SAAXCQNUSA-N", "SMILES:CN1CCN(C(=O)C2C(C(=O)O)[C@@H]3CC[C@@H]2O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430266", "category": ["biolink:ChemicalEntity"], "name": "CALYCULIN A", "xref": ["InChIKey:FKAWLXNLHHIHLA-YCBIHMBMSA-N", "SMILES:COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(/C=C/C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\\C#N)OC)[C@H](OP(=O)(O)O)C3(C)C)co1)N(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5276260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANNIBGOIPJKPQC-MLHFWINUSA-N", "SMILES:C/C=C1/C(=O)N[C@H](OC(=O)O)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@H](OC(=O)O)CCC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAIBGAONSFVVKI-WSIXPUKHSA-N", "SMILES:C=C/C(=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1343129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAMNHNOVZQXKL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAGZCEHLFCJSPV-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nc3ccc(-c4nc5ccc(N)cc5[nH]4)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204421", "category": ["biolink:ChemicalEntity"], "name": "CHAULMOOGRIC ACID", "xref": ["InChIKey:XMVQWNRDPAAMJB-QGZVFWFLSA-N", "SMILES:O=C(O)CCCCCCCCCCCC[C@@H]1C=CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXJHEANDHXHGMV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWXCHPQGCFGRC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(Nc2nc(C)c3ccc4c(c3n2)CCCC4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLXJCVXIPYTGM-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2nc(=O)c3ccccc3[nH]2)nc2ccc(N3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVMTNLDJBKMRW-JXJQSXTHSA-N", "SMILES:COC(=O)[C@@]12O[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\\C)C(C)(C)OC(C)=O)[C@@H]24"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BANPCENQUBNDKM-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)C(CCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDDBBAKQXKGBG-UHFFFAOYSA-N", "SMILES:O=C1C(Nc2ccccc2N2CCNCC2)=CC2=NS(=O)(=O)C3=CC=CC1C32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCDDZKNRKNPHU-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc3c(c2)C(=O)C(=O)C2=C3OCC2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDRBGLFPJVYBMG-PYJDCDGTSA-N", "SMILES:C[C@H]1C[C@H]2OC(=O)[C@@]34O[C@@H]3CC[C@@H]([C@]1(C)CCC1=CCOC1=O)[C@@]24C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKRLWYZFDVXJV-DENHBWNVSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(NC(=O)CSc3nc(-c4ccc(OC)cc4)cc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICCOWNACKHICCL-IJUHEHPCSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(NC(=O)CSc3nc(-c4ccc(Cl)cc4)cc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCRKYLNQTOJUEJ-UHFFFAOYSA-N", "SMILES:CCCCSc1nnc(-c2ccc(N)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJPDFJCROAIDO-UHFFFAOYSA-N", "SMILES:Clc1ccc(OCc2noc(C(Cl)(Cl)Cl)n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKZVLYJRBPURRQ-GBWMPDFWSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPPYGLVVXVNPW-IBGZPJMESA-N", "SMILES:CCCCCCCCCCCCNC(=O)[C@H](CCCCN)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHIXEZNTXMFXEK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5275868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULBHGKXUHYSORN-MRXNPFEDSA-N", "SMILES:Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1CN1CCOC[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJIIBHGVCKZJY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(N(C(=O)c3c(Cl)cc(Cl)cc3Cl)C(=O)c3c(Cl)cc(Cl)cc3Cl)c(Cl)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVRDWVVXUVPNBF-UZNALTAPSA-N", "SMILES:CCCCCCCCCCCCCCNC(=S)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(C)=O)CCCCNC(=O)CCCCCCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFEFMHWOSWUJSO-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHNVVBCKXBGOT-UHFFFAOYSA-N", "SMILES:COc1cnc(C(N)=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDAYKSOBNHCLJ-HWMLTETESA-N", "SMILES:CCCCCCCCCCCNC(=S)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(C)=O)CCCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYVCMMGXRSLJQ-QUVBDEBXSA-N", "SMILES:CCCCCCCCCCCCCCNC(=S)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(C)=O)CCCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVVITZGBMYLDO-MBDYEZFZSA-N", "SMILES:CCCCCCCCCCCNC(=S)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(C)=O)CCCCNC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOJBFMBBAXVVCG-YPSRGJAUSA-N", "SMILES:CCCCCCCCCCCCCCNC(=S)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(C)=O)CCCCNC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZQOAAJRJXVBQ-MKESVXJSSA-N", "SMILES:CCCCCCCCCCCNC(=S)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(C)=O)CCCCNC(=O)CCCCCCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGTNFHHLZQGSEM-HNNXBMFYSA-N", "SMILES:CCCNC(=O)[C@H](CNC(=O)Cn1cc(C(N)=O)c(=O)[nH]c1=O)NC(=O)CCc1nc(-c2cccnc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL350239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJLGEFLZQAZZCD-JUFISIKESA-N", "SMILES:CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504567", "category": ["biolink:ChemicalEntity"], "name": "ZEBULARINE", "xref": ["InChIKey:RPQZTTQVRYEKCR-WCTZXXKLSA-N", "SMILES:O=c1ncccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL419362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRNGXYMKYHNMLV-PKTZIBPZSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)C[C@H]1CCCN(C(=N)N)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1304177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTXGJQCHFJKQJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDGCJAXWIVSFU-UHFFFAOYSA-N", "SMILES:Cc1cc2occ(CNCCNCc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1626304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUAJRKRPPGDWBK-UHFFFAOYSA-N", "SMILES:NCCc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVNERPDMZVXIP-HXUWFJFHSA-N", "SMILES:COc1ccc([C@H]2CCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVNERPDMZVXIP-FQEVSTJZSA-N", "SMILES:COc1ccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDPBXJYDHBGQBK-RUZDIDTESA-N", "SMILES:COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(-c2ccc(C)c(N)c2)n1)C(=O)O"]}
{"name": "Interleukin-36 gamma", "xref": ["CHEMBL.TARGET:CHEMBL5291561"], "id": "UniProtKB:Q9NZH8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZPPBGRCDPFSS-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(O)c(O)c2)cc(-c2ccc(F)cc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXLNYGAFLHIMEL-UHFFFAOYSA-N", "SMILES:O=c1ccc2nc3ccc(OP(=O)(O)O)cc3oc-2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMADFMVJKIWAKA-UHFFFAOYSA-N", "SMILES:O=c1ccc2nc3ccc(OCc4ccc(OP(=O)(O)O)cc4)cc3oc-2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSNRQJQGJQKRS-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)c1ccccc1N(Cc1ccc(C(=O)NO)cc1)C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDINAAEZXWQRK-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)c1ccccc1N(Cc1ccc(C(=O)NO)cc1)C2c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPHLBSLEWITPLT-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)c1ccccc1N(Cc1ccc(C(=O)NO)cc1)C2c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMZDJOSANOVCSE-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)c1ccccc1N(Cc1ccc(C(=O)NO)cc1)C2c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QILRMOLYOFBOTF-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)c1ccccc1N(Cc1ccc(C(=O)NO)cc1)C2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPGHZXWUOASGDK-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)c1ccccc1N(Cc1ccc(C(=O)NO)cc1)C2c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINWQXNZUZBENO-UHFFFAOYSA-N", "SMILES:CC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)cc2)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCZGYHCBRKJNB-UHFFFAOYSA-N", "SMILES:CC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)cc2)C1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCZGYHCBRKJNB-NRFANRHFSA-N", "SMILES:CC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)cc2)[C@H]1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCZGYHCBRKJNB-OAQYLSRUSA-N", "SMILES:CC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)cc2)[C@@H]1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMJBFFZCBXQEGB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(C)(C)C(c1cccnc1)N2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNBRVHKHSXLPAT-UHFFFAOYSA-N", "SMILES:CC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)s2)C1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APYUDVHFMXBUIH-UHFFFAOYSA-N", "SMILES:CC1(C)c2ccccc2N(Cc2ccc(OCCCC(=O)NO)cc2)C1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOTUHAJNRNHMHC-UHFFFAOYSA-N", "SMILES:CC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)cc2)C1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLUFFYZJFGVGB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1N(Cc1ccc(C(=O)NO)cc1)C2c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDVFJUSYLBAGDL-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C1(c3ccc(C(=O)O)cc3)OCCO1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL114640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IONNZWGEVFITGF-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(C)(C)c2cc(N(CC3CC3)c3ncc(C(=O)O)cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHPGPVYPYBWTBU-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)cc1)c1ccc(C(C)C)c(OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXWAKMGEJFXBF-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(C(=O)O)cc1)c1ccc(C(C)C)c(OCC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKPGYKPQPYJER-UHFFFAOYSA-N", "SMILES:CN1c2ccc([N+](=O)[O-])cc2N=C(c2ccc(C(=O)O)cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNODNXQAYXJFMQ-ZHUZXUJZSA-N", "SMILES:CCCOc1cc2c(cc1/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNDNCQJXVNDJM-UHFFFAOYSA-N", "SMILES:CCCCCOc1cc2c(cc1-c1cc(CCC(=O)O)ccc1O)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCQGNUWOMLYNNG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc3cc(O)c(C45CC6CC(CC(C6)C4)C5)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYBBNCRTVJBPOH-SHTNYKQASA-N", "SMILES:CCCCC[C@H](O)/C=C/C1C(O)=CC(=O)[C@@H]1CCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHKFLQGYXDCJN-VQHVLOKHSA-N", "SMILES:CC(C)c1cccc(-c2cc(/C=C/C(=O)O)ccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1944785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDVQPLDTTXLKI-LSKWOKDISA-N", "SMILES:CCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CC[18F]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVPVFGSKVBDIO-CJLVFECKSA-N", "SMILES:CCCN(CCC)C(=O)/C=C1\\c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWGATCPXZBNFN-XAYXJRQQSA-N", "SMILES:CCCCCCN(CCCCCC)C(=O)/C=C1\\c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL136030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRYSBDDBRGKOJ-NBVRZTHBSA-N", "SMILES:CCCN(CCC)C(=O)/C=C1\\c2ncccc2C(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL137730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCBTVYFCYYKDKD-HIXSDJFHSA-N", "SMILES:CCCCCCN(CCCCCC)C(=O)/C=C1\\c2ncccc2C(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIHDSHLJMYCBQ-UHFFFAOYSA-N", "SMILES:CCCCCCN(CCCCCC)C(=O)CC1c2ncccc2C(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL429386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHACLXKNCUGNGZ-UHFFFAOYSA-N", "SMILES:CCCCC1c2c(nc3ccccc3c2-c2ccccc2)C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKRETBXJYZCFC-UHFFFAOYSA-N", "SMILES:CCC(C)N1CCCc2c(nc3ccccc3c2-c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTEBAMQLXVMHMM-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3c(-c3ccccc3)c2CCCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOWDOBPWPYWARG-UHFFFAOYSA-N", "SMILES:CCC(C)NC(=O)c1nc2ccccc2c(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCNHFANMVKHJSC-UHFFFAOYSA-N", "SMILES:CCC(C)NC(=O)c1nc2ccccc2c(-c2ccccc2F)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL416162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASCCIIJTKUYKE-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCc2ccccc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYJHNWZFDWQHG-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDVYJLASLOWGK-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKULIGQSCRTMX-UHFFFAOYSA-N", "SMILES:CCC(C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYXFYVXZASNRPP-UHFFFAOYSA-N", "SMILES:CCC(C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2F)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAZVQQMVXMTEY-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKZWJVCBVZSLQM-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBJJLFRXYHVPM-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VITHAIPHWHWXDX-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N(C)c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKACAMBEOCRVBY-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)C(=O)c2nc3ccccc3c(-c3ccccc3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBYMXGLJFCJOV-UHFFFAOYSA-N", "SMILES:CCC(C)N1Cc2c(nc(-c3ccccc3)c3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQHHJXCUDUYJFN-UHFFFAOYSA-N", "SMILES:O=C1c2nc(-c3ccccc3)c3ccccc3c2CN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPGQGOBFLQNSNU-UHFFFAOYSA-N", "SMILES:CCC(C)N1CCCc2c(nc(-c3ccccc3)c3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAHKREFCVQVJQL-UHFFFAOYSA-N", "SMILES:CCC(C)N1CC=Cc2c(nc(-c3ccccc3)c3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHVWULIKMATJO-UHFFFAOYSA-N", "SMILES:O=C1c2nc(-c3ccccc3)c3ccccc3c2C=CCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJZELBCYQKPGD-UHFFFAOYSA-N", "SMILES:CCC(C)NC(=O)c1nc(-c2ccccc2)c2ccccc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSLWRODFWYIQS-UHFFFAOYSA-N", "SMILES:CCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBCZVVIDHCFJO-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N(C)Cc2ccccc2)nc(-c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBHOAKDJGYQGY-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1nc2ccccc2c2c1CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYSXPKZZHOICJ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1nc2ccccc2c2c1CCOc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWRAQVCNBORRPW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEIUEBWUJORCH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(N(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYKFVZFEXHGSQ-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAZCJLGQSAKQHS-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUNOQYKVFJYGC-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEONXGPFOYMYQK-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLRCLDAIHXKQGX-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFRYZNPYPAFSRK-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBZJKOBGCSJBZ-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1cc(-c2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFLZAGNGBAZYTH-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1ccccc1C(=O)N(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXQLWASFFSGIK-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)c1ccccc1CN(CC)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXAQSWNUEMPKQP-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1c(C(=O)N(CC)CC)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSLTMXDXGLXQQ-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUYMBOKENEYDV-NHTLRXQVSA-N", "SMILES:CCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2[123I])n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2206280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAVIZVQZGXBOQO-NIQXDKTISA-N", "SMILES:CC[C@@H](C)N([11CH3])C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZJRFILRDRCTQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cc(-c2ccccc2)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVRIFXXLPBHJAS-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL120398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HANYPBLKEOAUEY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cc(-c2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAUWTPJWSCGJV-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTWSOACHIJCWAV-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCc2ccccc2)cc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELDSWZQWLSAOP-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N(C)Cc2ccccc2)cc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL122301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAQVSWUKWOBQNH-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCc2ccccc2)nc2ccccc2c1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCCLHOOEBUGFPU-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccc2c1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL120763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGAJEXMKCNJRSE-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL120668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQIPKSZYWSHMFK-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJQXSHWWUJLBF-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORJEBIAFYWZOQ-FNNGWQQSSA-N", "SMILES:COc1ccc(OC)c(CC(C(=O)C[18F])c2ccccc2Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCUHRHHLUUZJEQ-VNRZBHCFSA-N", "SMILES:CC(=O)N(Cc1ccccc1OCC[18F])c1cnccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQISPHJSIWLWMR-PIRNEEEYSA-N", "SMILES:CCN(CC)C(=O)Cc1c(-c2ccc([123I])cc2)nc2ccc(Cl)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5190218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGAUCMIRCYCGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn3ccnc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPFCXDCYIAOOBE-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(-c2cn3c(CO)ccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJHDAFXRSRJKPL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)[nH]c(-c3ccc(C(C)(C)OCCO)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIPJAQKAZCQVPU-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)[nH]c(-c3ccc(C4(O)CC4)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXORYUCIOICGOX-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)[nH]c(-c3ccc(C4(O)COC4)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMPHWKJTUPEOB-KRWDZBQOSA-N", "SMILES:Cc1ccc2c(=O)[nH]c(-c3ccc([C@@](C)(O)CO)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRCPYMXFHISQW-GOSISDBHSA-N", "SMILES:Cc1ccc2c(=O)[nH]c(-c3ccc([C@](C)(O)CCO)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRCPYMXFHISQW-SFHVURJKSA-N", "SMILES:Cc1ccc2c(=O)[nH]c(-c3ccc([C@@](C)(O)CCO)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMPHWKJTUPEOB-QGZVFWFLSA-N", "SMILES:Cc1ccc2c(=O)[nH]c(-c3ccc([C@](C)(O)CO)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVDAZHBOHYAOK-UHFFFAOYSA-N", "SMILES:Cc1cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKVSYWJACIIIKC-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(-c2cn3c(F)c(F)cc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTBFTBOYJMHXBF-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(-c2cn3c(F)ccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRGXQTYABGOBA-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(-c2cn3cc(F)cc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXRVCSFISVGCI-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(-c2cn3cc(Cl)cc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WADUGMWGTNMWRD-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(-c2cn3cccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHLKLRWORVGKO-UHFFFAOYSA-N", "SMILES:Cc1csc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCWJETAJRKSWDF-UHFFFAOYSA-N", "SMILES:Cc1cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDZQHCQYJAHSCQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVQHFYHONMFDN-UHFFFAOYSA-N", "SMILES:Cc1cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGHNBPCNVXEKGL-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGGKDGPDAYIFS-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(=O)[nH]c(-c3ccc(C(C)(C)C)cc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKUIQBGUJNMGO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cn3cncc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRFQJTQSCKCDRF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cn3ccnc3c(=O)[nH]2)cc1"]}
{"name": "Protein mono-ADP-ribosyltransferase PARP6", "xref": ["CHEMBL.TARGET:CHEMBL2380187"], "id": "UniProtKB:Q2NL67", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWIAGIIGFLYSH-UCQODNJNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL126122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAFCWIZUCJNALJ-UAGQMJEPSA-N", "SMILES:CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOPRTFSMCQNUCT-CABCVRRESA-N", "SMILES:CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL122591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJYXVOSNQSZOF-YJBOKZPZSA-N", "SMILES:C[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHMCVCIURRJGLE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLYIJXKREAPDJO-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1-c1ccc(OCCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXQMYKPVANJKN-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRQFYUYWCNGIN-KWJBEKLWSA-N", "SMILES:C=C1/C(=C\\C=C2/CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)CC1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOEMKJVIXGOYHR-ROTKLEPQSA-N", "SMILES:CC(/C=C/C(=O)NO)=C\\C(C)C1CCC2/C(=C/C=C3CC(O)CC(O)C3)CCCC21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXJGQTIVCHEXQS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(CCNC(=O)c2ccc(C#N)cc2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280728", "category": ["biolink:ChemicalEntity"], "name": "RIDOGREL", "xref": ["InChIKey:GLLPUTYLZIKEGF-HAVVHWLPSA-N", "SMILES:O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1"], "synonym": ["Ridogrel", "Ridogrel", "R 68070", "R-68070", "R68070", "Ridogrel"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUJSUBECFEVDI-IGIMMJHKSA-N", "SMILES:CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(CNS(=O)(=O)c2ccc(Cn3c(C)nc4ccccc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEJQOBRQZABLAP-UHFFFAOYSA-N", "SMILES:CN(CCN(C)Cc1ccc(C(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1)CCn1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGPPBTSXFROGAE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(Br)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDKYBCUDPSXGJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(Br)c2)n2cnnc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBGXWQSWZDDJH-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(C(CCOc2ccc([N+](=O)[O-])cc2)NC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHKYADRRQAQSLQ-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc2c(c1)C=CC(C)N(C)C2CCOc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGXYMHVIWJXJFG-UHFFFAOYSA-N", "SMILES:CCNc1ncc2c(n1)N1CCCC1CN(c1cccc(-c3noc(C)n3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUERGQICWDVIQF-CISYKLKFSA-O", "SMILES:C=C(C)CC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNDKNHLLDDUGBW-PZYJALBSSA-O", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)C1CCCCC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEFIZCWHLCWRV-CGRGJDSMSA-O", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)C1CCCN1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLAUNMVUXSOGB-WPMUBMLPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN(C)C(C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZUPQRHYHMMHGC-JLMWRMLUSA-N", "SMILES:COc1cccc(C[C@H]2C[C@H]3Cc4c(cccc4OC)C[C@@H]3N(C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNQGINDEMSQFID-UHFFFAOYSA-N", "SMILES:N#Cc1c2c(c3cccn3c1NCc1ccco1)CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNNJMGGZMFGNDB-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2cc(N3CCc4ccccc4C3)ccc2[N+](=O)[O-])n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVLOUZWLCDLTGX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCO4)ccc1OC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGOUVLSDYPCCGO-KBMKNGFXSA-N", "SMILES:[2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1cc(F)cc2c1CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZALKJCUBKNXDN-BMCXZODDSA-O", "SMILES:CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKDRHQMSGQEMN-XNPDXUETSA-O", "SMILES:C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXHZTZIKTRBFFS-ZDUSSCGKSA-N", "SMILES:Cc1cncc2cccc(S(=O)(=O)N3CCNCC[C@@H]3C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSOQMEARYDGDSU-UHFFFAOYSA-N", "SMILES:COc1c(B(O)O)cccc1-c1ccc2c(ccc3[nH]ncc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220241", "category": ["biolink:ChemicalEntity"], "name": "GSK-269962A", "xref": ["InChIKey:YOVNFNXUCOWYSG-UHFFFAOYSA-N", "SMILES:CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWRIQCPRDVTYTG-UHFFFAOYSA-N", "SMILES:O=C(CCCC1CCSS1)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUQZDIZIVRTIGP-UEDXYCIISA-N", "SMILES:CCC1Oc2cnccc2-c2ccc(C(=O)N[C@@H](C)c3cccc(OC)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDWVJUDMICOXRA-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(C)Oc2cnccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFWDPXHTWJXOEI-RUZDIDTESA-N", "SMILES:COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCN(C)CC1)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPKDAJYJOBTSM-FUHWJXTLSA-N", "SMILES:Cc1cc(F)ncc1C(=O)Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZXSXRNCYAIQX-LGJNPRDNSA-N", "SMILES:COc1cc(/C=N/NC(=O)COC2=NC(C)=NC3C2C(C)=NN3c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHYRYMSOCVIPCI-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2cc(CO)on2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFCGAUUHSJDNBF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2NC(c3cc(C(C)(C)O)n(C)n3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNJYOOTXCWAFKM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(N2NC(c3cc(C(C)(C)O)n(C)n3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSOBOXJZMMFHF-UHFFFAOYSA-N", "SMILES:Cn1nc(C2NN(C3CCCN(C(=O)CC#N)C3)c3ncnc(N)c32)cc1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBOVCBBXCEEPE-UHFFFAOYSA-N", "SMILES:Cn1nc(C2NN(C3CCCN(C(=O)CC#N)C3)c3ncnc(N)c32)cc1C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEWWTIYTUWYUOJ-UHFFFAOYSA-N", "SMILES:COc1nc2ccccc2cc1-c1nc2c(cnn2-c2ccc(Br)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLCNGILNZYAEHU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2c(Nc3ccccc3)sc(C#N)c2NC(=O)CNc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOTFKPFRGPPMMG-WKULSOCRSA-N", "SMILES:COc1ccc(NC(=O)c2c(Nc3ccccc3)sc(C(=O)N/N=C/c3ccc(O)c(O)c3)c2NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAENNHGSXVDCKH-CFRMEGHHSA-N", "SMILES:Fc1ccc(C2=Nc3ccc(F)cc3CN2/N=C\\c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOOGNWCLUIBMF-UHFFFAOYSA-N", "SMILES:CCCOCCSc1nc(-c2ccccc2Cl)nn1CCOCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAWMJDAKJNNOCE-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)c1cc(Br)cc2cc(-c3ccccc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEJMCFWWVSSWOF-UNOMPAQXSA-N", "SMILES:Cc1cc(NC2=NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)S2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGXIHUCIANGDC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(-c2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZZARXTPZZKNX-KOKWJLLBSA-N", "SMILES:CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)OCCCC[N+](=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZAKYRBQSZOPB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])OCCCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLWUJGSGLISBON-UHFFFAOYSA-N", "SMILES:CSc1nn(-c2ccc(Br)cc2)c2nc(C)nc(Nc3ccc(OCCCC[N+](=O)[O-])cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQBMBDPFTGWKLX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMIYHCOSIHDEA-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)n(Cc3ccccc3)c(SCc3cn(-c4ccc(C(=O)O)cc4)nn3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBOCOBZQLIOPHG-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2ccccc2C1c1cc2ccccc2n2nnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMNXXCGEOWULQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc3ccccc3c(NCc3ccc(OC)cc3)c2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOIBDAQLXGWZRH-KGENOOAVSA-N", "SMILES:CN1CCN(c2cc3c(cc2F)C(=O)C(/C=C2\\CN(C4CC4)c4cc(N5CCNCC5)c(F)cc4C2=O)CN3C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSJBIDKIQNFIK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2ccnc(NCc3ccc(OCCCCCC(=O)NO)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQRERSKTSHMAX-UHFFFAOYSA-N", "SMILES:CN(C)C1=NC2C(Br)=C(Br)C(Br)=C(Br)C2N1CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCBAGPOEIWZQBJ-NSCUHMNNSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCC(CCc5ccc(/C=C/CC(=O)NO)cc5)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KURPBLSGRXAFKU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1ccc2ncnc(Nc3ccc(F)cc3)c2n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXYHYYBXKLTNGG-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2cc(Nc3ncc(C(=O)Nc4ccccc4N)s3)nc(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHZNMLSEHSKXHB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(C(=O)c3ncc[nH]3)cc2)cc1)Nc1ccc(C(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDSBKSNJFXEPRM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(Oc3ccc(C(=O)c4ncc[nH]4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSKICYYWJICJCC-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLQBOZRIDQRRF-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFFKBOHNCAJSM-UHFFFAOYSA-N", "SMILES:CCCCOCc1ncnc2sc3c(c12)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYILXVUDBIEFU-UHFFFAOYSA-N", "SMILES:N#Cc1nc(N2CCOCC2)nc(N(Cc2ccc(F)cc2)CC2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAAZJHKEGWKSI-UHFFFAOYSA-N", "SMILES:CC(C)CCN(c1nc(C#N)nc(N2CCOCC2)n1)C(C)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCZQUKHTRBNGJU-ASIFKIKJSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)CCl)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANKMLYVXBEWKG-ASIFKIKJSA-O", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)C[N+]#N)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOWYUAXERKACT-AUXVYVIOSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](/C=C/S(=O)(=O)c1ccccc1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXSKEVVKUBSDZ-YLUGYNJDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C)P(=O)(O)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRZQRSMAZCEBJR-WOYTXXSLSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372191", "category": ["biolink:ChemicalEntity"], "name": "DEOXYTOPSENTIN", "xref": ["InChIKey:OBDUUEITYHUFCW-UHFFFAOYSA-N", "SMILES:O=C(c1nc(-c2c[nH]c3ccccc23)c[nH]1)c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL198814", "category": ["biolink:ChemicalEntity"], "name": "BROMODEOXYTOPSENTIN", "xref": ["InChIKey:RMAWSNVDVKZXDX-UHFFFAOYSA-N", "SMILES:O=C(c1ncc(-c2c[nH]c3cc(Br)ccc23)[nH]1)c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL436760", "category": ["biolink:ChemicalEntity"], "name": "BROMOTOPSENTIN", "xref": ["InChIKey:YHGQVXFIJGWOFP-UHFFFAOYSA-N", "SMILES:O=C(c1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1)c1c[nH]c2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYZIVLALWLEEG-UHFFFAOYSA-N", "SMILES:O=C1NC(c2c[nH]c3cc(Br)ccc23)CN=C1c1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL301307", "category": ["biolink:ChemicalEntity"], "name": "ISOAAPTAMINE", "xref": ["InChIKey:MPBUGSHDXOJPKR-UHFFFAOYSA-N", "SMILES:COc1cc2ccnc3c2c(c1O)N(C)C=C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL105360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJTVQHVGMGKONQ-LUZURFALSA-N", "SMILES:COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5275425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIRXIZPRZDHLER-IPGYZZKOSA-N", "SMILES:C[C@@H]1O[C@@H](OC2=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDCJXAKGZDZKN-CRAXIPPQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1CCc1ccc(O)c(O)c1)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLUIIWXOBEDGV-QNHKUEPCSA-N", "SMILES:COc1c(O)c2c(c3c1O[C@@]1(O)C(C)(C)[C@H](C)O[C@@]31O)C(=O)C(C)=CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1234101", "category": ["biolink:ChemicalEntity"], "name": "LUMICHROME", "xref": ["InChIKey:ZJTJUVIJVLLGSP-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4162012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYBXJAJHOPCXHS-RDUHTLEXSA-N", "SMILES:C[C@H]1CC[C@H]2[C@@H](C=C[C@@](C)(O)[C@]2(C)C(=O)CCO)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL492613", "category": ["biolink:ChemicalEntity"], "name": "BERBERINE SULFATE", "xref": ["InChIKey:JISRTQBQFQMSLG-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.O=S(=O)([O-])O"], "synonym": ["Berberine sulfate", "Berberine sulfate (2:1)", "Berberine sulfate anhydrous", "Berberine sulphate", "Erben", "Neutral berberine sulfate", "NSC-5355"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUKXKYEZPLORH-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OC)CCc1cc(C(C)=O)c(C(C)=O)cc1-3.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCXMGPNELNHROM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)OC(c1ccccc1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL82022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSJIARERFIGST-RVDMUPIBSA-N", "SMILES:COc1ccc(/C=C(\\C#N)c2ccc(OC)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL81627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFRIYUWXCFCEOD-RVDMUPIBSA-N", "SMILES:COc1ccc(/C(C#N)=C/c2ccccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJWNZXIMTDDZBG-XNTDXEJSSA-N", "SMILES:COc1ccc(/C(C#N)=C/c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZRJOUYMUFYHL-XNTDXEJSSA-N", "SMILES:COc1ccc(/C(C#N)=C/c2cc(OC)ccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPZQTOIODRVQV-XNTDXEJSSA-N", "SMILES:COc1ccc(/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZZNWCSTGMTJMR-OVCLIPMQSA-N", "SMILES:COc1ccc(/C(C#N)=C/c2cc(OC)cc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL78486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGLISDZKOQGNP-SFQUDFHCSA-N", "SMILES:COC(=O)/C(=C/c1ccc(OC)cc1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL78525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSJIARERFIGST-PTNGSMBKSA-N", "SMILES:COc1ccc(/C=C(/C#N)c2ccc(OC)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5282755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUDRHPJMZYKDRM-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(=O)C(C(C)=O)=C2O)c(O)c(Cc2c(O)c(C(=O)CCC)c(O)c(C(C)C3=C(O)C(C)(C)C(=O)C(C(C)=O)=C3O)c2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQXCNFYEVITHH-ADXUQXPMSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@@H](O)[C@H](O)C[C@](O)(C(=O)O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDFUVFNIAJEGM-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL165058", "category": ["biolink:ChemicalEntity"], "name": "(ETHENYLSULFONYL)BENZENE", "xref": ["InChIKey:UJTPZISIAWDGFF-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCAYGIFNXCLMK-SREVYHEPSA-N", "SMILES:O=S(=O)(/C=C\\C(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYSYGRTORNMNN-UHFFFAOYSA-M", "SMILES:CCOc1c([S-])cnn(-c2ccccc2)c1=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECJJOKWYQUMNW-UHFFFAOYSA-N", "SMILES:CCOc1c(SSc2cnn(-c3cccc(F)c3)c(=O)c2OCC)cnn(-c2cccc(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFXBGJYMDKTWHF-UHFFFAOYSA-N", "SMILES:CCOc1c(SSc2cnn(-c3cccc(OC)c3)c(=O)c2OCC)cnn(-c2cccc(OC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZCKDUAGIMWAT-UHFFFAOYSA-N", "SMILES:CCOc1c(SSc2cnn(-c3cccc(C(=N)N)c3)c(=O)c2OCC)cnn(-c2cccc(C(=N)N)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIRRJLIBTOBZFL-UHFFFAOYSA-N", "SMILES:O=c1c(OCCO)c(SSc2cnn(-c3ccccc3)c(=O)c2OCCO)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBPRRAQJVJQHOZ-UHFFFAOYSA-N", "SMILES:O=c1c(OCCCO)c(SSc2cnn(-c3ccccc3)c(=O)c2OCCCO)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHJVAMOFKBOJL-UHFFFAOYSA-N", "SMILES:O=c1c(OCCO)c(SSc2cnn(-c3cccc(F)c3)c(=O)c2OCCO)cnn1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHDWBPRTEIYKKX-UHFFFAOYSA-N", "SMILES:O=c1c(OCCCO)c(SSc2cnn(-c3cccc(F)c3)c(=O)c2OCCCO)cnn1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1409762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUCBZTHJXHHFAW-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccn2)c2ccsc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1455837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYMRQKDFQORIBA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(Nc2ccccn2)c2oc(CO)cc(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1568397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHYQOIRXHNXLC-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccn2)c2ccc(C(F)(F)F)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1547560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCPHBSBXPBYVQO-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccn2)c2ccc(F)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1501018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIMBWGQKUSYHBN-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(C(Nc2ccccn2)c2cccc(F)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVAZRPPRXHFDOB-OAQYLSRUSA-N", "SMILES:CCSSc1ccccc1C(=O)N[C@H](CC(=O)O)C(=O)Nc1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSCACXQKJOBMEU-UHFFFAOYSA-N", "SMILES:CCSSc1ccccc1C(=O)NCC(=O)Nc1cccc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJGKSHFVOHIEI-UHFFFAOYSA-N", "SMILES:CCSSc1ccccc1C(=O)NCC(=O)NCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOQRHUCMKOHKF-UHFFFAOYSA-N", "SMILES:CCSSc1ccccc1C(=O)NCC(=O)N(C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHDYMAIJPYJKK-UHFFFAOYSA-N", "SMILES:CCSSc1ccccc1C(=O)NCC(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTBWRVXPAHXQNM-UHFFFAOYSA-N", "SMILES:CSSc1ccccc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOOIETZCTPWLJR-UHFFFAOYSA-N", "SMILES:CCSSc1ccccc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZDBIIXJCBASSH-UVLALUNPSA-N", "SMILES:CSSc1ccccc1C(=O)N1CCC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLFUKBOHMXTIW-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccccc1C1Nc2cccc3cccc(c23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1350045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSFKBFSGXDUSH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(C2Nc3cccc4cccc(c34)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1584764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZVDBPJDCCYMN-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2Nc3cccc4cccc(c34)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1209369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDGAJDYMZOGCSB-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1nn2c(-c3ccncc3)nnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUYQYRYYQCOSDN-UHFFFAOYSA-M", "SMILES:O=S(=O)([O-])c1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOJCVYWUPLTSBK-UHFFFAOYSA-N", "SMILES:c1cc(-c2nnc3sc(-c4ccc5[nH]cnc5c4)nn23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEJGNTVCOXIVPP-ZROIWOOFSA-N", "SMILES:CC(=O)/C(=N/Nc1ccc(Cl)c(Cl)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNLIGCQYLOUMT-XFXZXTDPSA-N", "SMILES:CC(=O)/C(=N/Nc1ccc([N+](=O)[O-])cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTZBRSHEIFZUGG-XFXZXTDPSA-N", "SMILES:CC(=O)/C(=N/Nc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBHFSAFVJHVVAN-QNGOZBTKSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1c(F)cccc1F)C(=O)c1cc(C)nn1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPPVYOBVJKNFDH-BOPFTXTBSA-N", "SMILES:Cc1cc(C(=O)/C(=N/Nc2c(F)cccc2F)C(=O)O)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBMNLYZYYDMBLG-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6c(Cl)cccc6Cl)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZODPJCWYSRYOP-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncccc5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHOGKRZOSPFJR-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5nccnc5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUROUXXKASRTES-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(C)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVIZPNZQKXJCIO-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4cccc5ncn(C)c45)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKOGSBJQUOVKNO-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4cccc5c4ncn5C)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLEVEZGLRYFUGJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2ccc(-c3cc(NC(=O)c4ccc(NC5CCN(C)CC5)cc4)n[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAFSIZUOKLKBIE-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(C6CC6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQDNIBGGHMSAD-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(C6CCCC6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWSHIFDXMLEWDL-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(CC6CCCCC6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFGYPLPBBXUMQ-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(C6CCOCC6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCRSJFRKHWRFY-SAIGFBBZSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn([C@H]6CC[C@H](N)CC6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBZGYOSZVRMFNW-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(-c6ccccc6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNOFHGMDIATJED-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccsc6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQHVOBIQEWFHLE-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccncc6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDDLPJWLLSXKFY-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)ncn5Cc4ccccc4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYHNCLMTRSOXEK-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ccn(Cc6ccccc6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPHTLGERHHRNU-UHFFFAOYSA-N", "SMILES:CN1CCC(C(=O)Nc2cc(-c3ccc4ncn(Cc5ccccc5)c4c3)[nH]n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHODNUYDVDSMDV-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2CCN(C)CC2)ccc1C(=O)Nc1cc(-c2ccc3ncn(Cc4ccccc4)c3c2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTRHCQJFIRJZFN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(-c3ccc4ncn(Cc5ccccc5)c4c3)[nH]n2)ccc1NC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRTCRJAEOGQJJA-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccccc6)c5c4)[nH]n3)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVYPDYGCIJPKEG-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccccc6)c5c4)[nH]n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSXCVKRDAAENQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccc3ncn(Cc4ccccc4)c3c2)[nH]n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUSPSNLJXPDUJG-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccccc6F)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQZPMWVVRASOJ-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6cccc(F)c6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCCBQEVVRUCPQR-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccc(F)cc6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYGJPBLEAZGJP-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccccc6Cl)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULMUAWPDZBNIEF-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6cccc(Cl)c6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDADIBUEQKGCP-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccc(Cl)cc6)c5c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFTHZCQKUJZIGI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1cnc2ccc(-c3cc(NC(=O)c4ccc(NC5CCN(C)CC5)cc4)n[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSBXROTNHOPCN-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1cnc2ccc(-c3cc(NC(=O)c4ccc(NC5CCN(C)CC5)cc4)n[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFQLEYKUOWOVBZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2ccc3cc(C(=O)N4CC(N5CCN(C(=O)c6nccs6)CC5)C4)ccc32)cc(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3658400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOACCSOISMVBL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(ccn2-c2ccc(F)cc2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQADIUKFZHPHMS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHONBOIUHNTIZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(ccn2-c2ccc(F)cc2)c1)N1CC(N2CCN(c3ncccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOACCSOISMVBL-FMLNDMEQSA-N", "SMILES:O=C(c1ccc2c(ccn2-c2ccc([18F])cc2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHONBOIUHNTIZ-FMLNDMEQSA-N", "SMILES:O=C(c1ccc2c(ccn2-c2ccc([18F])cc2)c1)N1CC(N2CCN(c3ncccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWESDBZVZLQNFJ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXXYYMRRCMZLSW-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CC(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROKCKWHBWWADT-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNPNGHIECPIYIV-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZZQPUMBONHQSV-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCZSMLELHCSAT-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLQWQKWTIGGLDM-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKMBPTYONGDPG-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXPBTYXRHYDNJE-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCLQTWVCUVNNQM-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSJCRHKZSOQYQK-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGICYUVZUQVTJ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYAGWYFWGULQIT-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZFTKGOQGEKDV-UHFFFAOYSA-N", "SMILES:CC1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)CCC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWYKRCLOHIJRB-UHFFFAOYSA-N", "SMILES:CC1CC(c2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLDXZVWJYOLUMX-REPLKXPHSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOPYOSYAXVBLDY-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJWJZIFRBIVDK-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKFTUPVRMCYULJ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVRPVNZNWUSEDO-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYHHLJJAXHOTQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(C3CCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLZJLBKPOARSZ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRYXBPJGPNITRB-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZAIEDJVIXGZBC-UHFFFAOYSA-N", "SMILES:CN1CCC(NS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUGKNQPTMPJLX-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)CCN(S(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLMOQUPSZOLPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZSQHPDWABCDCQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFNRHVCOJRWIM-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCDKIRETLWMMZ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZIREAKUBWJOV-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAYOOYQLSPXIPI-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDXQMUTTJMUFW-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTJRETVBHLQAQN-UHFFFAOYSA-N", "SMILES:COc1cccc(C2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIUKMCNEFULFQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3cccc(F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYRQFYFLLIGBGY-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHYRNYRFTRVTLN-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRIOGNMYDXRINF-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJVZLGWUMIMYJW-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NCC(=O)O)ccc1S(=O)(=O)N1CCC(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUTWRYTULEKGO-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSCOTYTPMXHET-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJQOXPNCXYRGDQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDJJCJIGYVRGS-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTRSIWZLHCNPNE-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)sc1C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSHRRKNYAPZCBE-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CACSJCXWVHJXIE-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1csc(S(=O)(=O)N2CCC(c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDQEBSSFGVHES-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFQSXQYPKIMDTP-UHFFFAOYSA-N", "SMILES:Cn1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYIAIMUKZKDOKM-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLEPPZUCNUZMRV-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRVXDRTTLRYTG-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWYRXWPCQHOSO-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLPNUNUNPABGA-UHFFFAOYSA-M", "SMILES:O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cn1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTBQADLERFRSD-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)CCC(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXKRRNFWVFNOB-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)ccc1C(=O)NCC(=O)O"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 3", "xref": ["CHEMBL.TARGET:CHEMBL5291515"], "id": "UniProtKB:Q9Y6I4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOBLNBVNROVLC-UHFFFAOYSA-N", "SMILES:N#CSc1cc(SC#N)c(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTCYTDJDXZFSK-NUHJPDEHSA-N", "SMILES:CCCN1CC(c2ccc(N)nc2)OC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTCYTDJDXZFSK-CMPLNLGQSA-N", "SMILES:CCCN1C[C@H](c2ccc(N)nc2)OC[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBHQHNVJCDNEL-XLJIZYSNSA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1C[C@@H]1C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUNPJREZURMGC-RFNIIBAYSA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CCC1CCC(CNC(=O)c2cc3ccccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUNPJREZURMGC-AJGMTHFWSA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC[C@@H]1CC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUNPJREZURMGC-UVPKRVSESA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC[C@@H]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPHPWOFSUNVRW-QIBJJAHESA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1C/C=C1\\CCC(CNC(=O)c2cc3ccccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXLBLFCZDJRKI-CNNODRBYSA-N", "SMILES:CN(CC[C@@H]1CC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXLBLFCZDJRKI-NNMXDRDESA-N", "SMILES:CN(CC[C@@H]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHOAJHDGKCNHMA-MMQQLJCSSA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC(=O)N1CCC(CNC(=O)c2cc3ccccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKIEICGPWNFBV-KSFYIVLOSA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CCn1cc(CNC(=O)c2cc3ccccc3[nH]2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDKZOUNFAZVBP-NVNZTLJMSA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC[C@H]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBHQHNVJCDNEL-PYDOFHOQSA-N", "SMILES:C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1C[C@H]1C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTDYDQBGQSVJK-LSTHTHJFSA-N", "SMILES:CN(C[C@@H]1C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTDYDQBGQSVJK-PWIZWCRZSA-N", "SMILES:CN(C[C@H]1C[C@@H]1CCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXHDYSWCFLGWGV-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)CCC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJWWCJTNRNNCD-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(C)(O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUUNRBNZNVZPP-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLSFNQUGYSHEK-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(C)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFFOAKMGNOZAMP-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C=CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPRRIBQMFOPFT-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3nc(C4CCOCC4)cc(O)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKIVGSPFNRLCSY-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CN)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPGRLYARBWHBR-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c3c2CCCC3O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLYIHLLXPFGFGH-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c3c2CCC3O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMSFOPIEFUNQCW-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)CCC3OC2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQIVNXVMBHTODM-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(N)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJPTWZCGASDKLI-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(OC)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARZABZYYZTXIS-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(OC2CCCCC2)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUGZSZVPACAPNZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(CC2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCCVQQVLLHLAAH-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCN(C)CC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMWPSPPSFMJJGK-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCNCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIDPJVVMXQKAI-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCN(S(C)(=O)=O)CC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZANJGPFNOSZRW-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCN(C(=O)C4CCCC4)CC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVFNNINNOIMIZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(C(C)C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUUNRBNZNVZPP-JKGBFCRXSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)C[C@@H](C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUUNRBNZNVZPP-JUERFOTFSA-N", "SMILES:CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)C[C@H](C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMMAFNFVPLTFPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSPFURHWCZMMC-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBZEOWHXGKDMV-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMTHXMBULDUZHC-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZVGLSOQDSMCHD-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWTXMRBXBXXFDD-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJLEHXFGBGWMC-UHFFFAOYSA-N", "SMILES:CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPJJBJFQJJXGC-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOLWFNLBBEIIK-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLWGHJFVQLRMI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N(CC(C)C)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXCJUXDXKLVLQ-UHFFFAOYSA-N", "SMILES:CC(C)CN(C1CCc2ccc(F)cc21)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEFZIVUVFPKQQ-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1cc2ccccc2s1)S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFSKKHMAAQOGL-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)CC(C)CN2S(=O)(=O)c1ccc2c(c1)C(O)CC(C1CCOCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIQAXHRTVPHVOC-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(C2CCC2)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTOETCVXGIEBR-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCHXQKRQBSOJLB-UHFFFAOYSA-N", "SMILES:CCc1ccc(NS(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRRLYKJVTYFQW-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)C(O)CC(C1CCOCC1)O2)N1CCCC1c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDAFBOTQBNQDX-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(CC2CCC2)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGDOOUFUANKIKZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(C2COC2)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYINMGLOOFRLZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(C2CCC2)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSAVYAEQWNFIP-UHFFFAOYSA-N", "SMILES:CCc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJMFCNODKBGQNV-HDDNKGPMSA-N", "SMILES:COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CN(C(=O)/C=C/CN(C)C)C4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOBKHYRACNVSDL-UHFFFAOYSA-N", "SMILES:O=S(=O)(NC(c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O)c1ccccc1"]}
{"name": "Botulinum neurotoxin type F", "xref": ["CHEMBL.TARGET:CHEMBL2007627"], "id": "UniProtKB:P30996", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1491"]}
{"id": "CHEMBL.COMPOUND:CHEMBL139938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJQQSUBKRASQN-UHFFFAOYSA-N", "SMILES:Oc1c(Br)cc(Cl)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGOMYZSXZKFCQS-SKIKMFFJSA-N", "SMILES:CC(CCC[C@@H](C)[C@H]1[C@H](O)[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](O)C[C@@H]3C[C@@H](O)[C@]12O)COS(=O)(=O)O"]}
{"name": "Alpha-ketoglutarate-dependent dioxygenase AlkB", "xref": ["CHEMBL.TARGET:CHEMBL5291506"], "id": "UniProtKB:P05050", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTJSWVYLYQGEU-ONEGZZNKSA-N", "SMILES:O=C(O)/C=C/C(=O)NNC(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTFXDZMTPKTGV-BQYQJAHWSA-N", "SMILES:O=C(O)/C=C/C(=O)NNC(=O)c1cnccc1Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHVCNJZETZISW-CMDGGOBGSA-N", "SMILES:O=C(O)/C=C/C(=O)NNC(=O)c1cnccc1Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOEFSTUKUBLRRM-ZHACJKMWSA-N", "SMILES:COc1ccc(-c2ccc(Cc3ccncc3C(=O)NNC(=O)/C=C/C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGBOJVHKLUMFE-CMDGGOBGSA-N", "SMILES:CC(C)(C)c1ccc(Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXBJGZKOBRFBAC-AATRIKPKSA-N", "SMILES:O=C(O)/C=C/C(=O)NNC(=O)c1cnccc1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWDSQCTTKKNEW-UHFFFAOYSA-N", "SMILES:Cc1cccc2c3ccccc3n(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXVCGVHJVUJSW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEVQSISFJYPEU-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2338327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRXYSFKUSQNIL-CQSZACIVSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)O)c1nc(Cl)c2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYWBSPWOHMZNE-SNVBAGLBSA-N", "SMILES:CC(C)[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2030875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHOTSVECZJAJD-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](CSCc1ccc2ccccc2c1)C(=O)O)c1ncccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1160006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLDAJMGAVDXSH-UHFFFAOYSA-N", "SMILES:O=C(O)CC(C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503160", "category": ["biolink:ChemicalEntity"], "name": "FUMARIC ACID", "xref": ["InChIKey:VZCYOOQTPOCHFL-OWOJBTEDSA-N", "SMILES:O=C(O)/C=C/C(=O)O"], "synonym": ["Fumaric acid", "Fumaric acid", "E297", "Fumaric acid", "2-butenedioic acid, (e)-", "Allomaleic-acid", "Boletic-acid", "Fumaric acid", "Fumaricum acidum", "E-297", "FEMA NO. 2488", "INS NO.297", "INS-297", "NSC-2752", "Fumaric acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5286685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDWPQLTUCCHOR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)NS(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDDFDIPQUPVHJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBZRDSEASITLG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1S(=O)(=O)NC(=O)c1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIRPBGLGHMHJRL-UHFFFAOYSA-N", "SMILES:Cc1cccc(S(=O)(=O)NC(=O)c2cc(C(=O)O)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTGQLLNXJPAVEA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)c2cc(C(=O)O)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXOVOSNHBREVJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(S(=O)(=O)NC(=O)c2cc(C(=O)O)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMITKVBRVHELQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)c2cc(C(=O)O)ccn2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGBBKHUGWPTDA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)NC(=O)c2cc(C(=O)O)ccn2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTVJDXEJLACLN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEAQVLNJBPGBFN-UHFFFAOYSA-L", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Br)c2c1C(=O)c1ccc(S(=O)(=O)[O-])cc1C2=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270415", "category": ["biolink:ChemicalEntity"], "name": "BROMAMINIC ACID", "xref": ["InChIKey:TXMRAEGWZZVGIH-UHFFFAOYSA-M", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Br)c2c1C(=O)c1ccccc1C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAJGKWAQZCUDFX-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(NCCNCCO)c(NCCNCCO)c2C(=O)c2c(O)ccc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1591", "category": ["biolink:ChemicalEntity"], "name": "DEMECLOCYCLINE", "xref": ["InChIKey:FMTDIUIBLCQGJB-SEYHBJAFSA-N", "SMILES:CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12"], "synonym": ["Demeclocycline", "Demeclocycline", "Demeclociclina", "Demethylchlortetracycline", "Demeclocycline", "Demeclocycline"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL4567838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHNIWOZZKIBNW-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)NO)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284028", "category": ["biolink:ChemicalEntity"], "name": "2,3-DIHYDROXY-6,7-DICHLOROQUINOXALINE", "xref": ["InChIKey:AVBSIKMUAFYZAV-UHFFFAOYSA-N", "SMILES:Oc1nc2cc(Cl)c(Cl)cc2nc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL212579", "category": ["biolink:ChemicalEntity"], "name": "BENZAMIL", "xref": ["InChIKey:KXDROGADUISDGY-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1370446", "category": ["biolink:ChemicalEntity"], "name": "METIZOLINE", "xref": ["InChIKey:NDNKHWUXXOFHTD-UHFFFAOYSA-N", "SMILES:Cc1sc2ccccc2c1CC1=NCCN1"], "synonym": ["Metizoline", "Metizoline", "Metizoline", "Metizolina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL157351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGBHVTUOPUVRW-UHFFFAOYSA-N", "SMILES:N#CSc1ccc2oc(C3=NCCN3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTAYDBPNYFWDR-UHFFFAOYSA-N", "SMILES:COc1cccc2c1C1CN(CCCCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)CC1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL302783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDMWESTDPJANS-ZCFIWIBFSA-N", "SMILES:N[C@H](CCCCCP(=O)(O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJOXSODFMZIZJD-CCEZHUSRSA-N", "SMILES:Cc1ccc(O)c(/N=N/c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1618358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKGWQUVGHPDEBZ-ZGTCLIOFSA-N", "SMILES:CN1CC[C@]2(C)c3cc(O)ccc3N(C)C12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1200433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPLGPBQJOQFJS-UHFFFAOYSA-L", "SMILES:O=C1OC2(c3ccc([O-])cc3Oc3cc([O-])ccc32)c2ccccc21.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZAJOEGTZDUSKS-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5282054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSPCTIVGNRMCN-BQYQJAHWSA-N", "SMILES:O=C(O)/C=C/C(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBTXVINDTFOAMU-UHFFFAOYSA-N", "SMILES:N#CSc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDBDXJEKGFAJQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFFNOSBBXSHTRS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKYDTRVGNAEDZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRQVNQVJXRJZBW-KTKRTIGZSA-N", "SMILES:CC1(CCCNC(=O)/C=C\\C(=O)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)NN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBDTZZALXFHDFU-UHFFFAOYSA-N", "SMILES:C#CCCC1(CCC(=O)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)NN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLRJHGFPPFVIF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Cl)C(C)(C)CC(C)(c1cc(Cl)c(O)cc1O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQEGWQCIVFGGMQ-XFXZXTDPSA-N", "SMILES:CCN(CC)C(=O)/C(C#N)=C(\\O)c1cc(O)c(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHXZEHQUUPOSL-LCYFTJDESA-N", "SMILES:N#C/C(C(=O)C1CCC1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHDZUJODMCISU-IZZDOVSWSA-N", "SMILES:N#C/C(=C\\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQUZHVFIMWTUKR-ONNFQVAWSA-N", "SMILES:N#C/C(=C\\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1534413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNIQOQUBXARKT-UHFFFAOYSA-N", "SMILES:Clc1ccc2[nH]c(-c3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHVUVKWYVDDEM-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2nc3cc(F)ccc3[nH]2)c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUMITZTMJDTNJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3ccccc3)cc2C(NC2CCCCC2)C1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARBFTDFRXBWIQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC1OC(c2ccc(Cl)cc2)C(O)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXHPOFJOYJWFKS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NC1OC(c2ccc(Cl)cc2)C(O)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOZAMOPQXHFML-UHFFFAOYSA-N", "SMILES:Cc1nc(N(C)C)nc(-c2cccc(-c3ccn(CCN(C)C)n3)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRQICGVSRRRDI-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFXMYHPLTQTTFW-FULLSBAXSA-N", "SMILES:C=C(c1ccccc1)[C@]12CC[C@H](O)[C@H]1CC(CCCCCC)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUSFJFTQLHFPS-HHSGCNHTSA-O", "SMILES:C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC)=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4448429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCZOVLATZXPSFR-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLKHAOFAPVVKHI-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFABFKUNLDYKGH-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)n1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1325149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHMQQIFPOIZPIJ-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c(=O)n1C1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQUILNLPRCFRB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMEGQABRBDDBTQ-WRRUDTOOSA-N", "SMILES:CCCCC[C@@H]1OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOVGKOVFZNPSO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4cccnc4)n3)cc2C(F)(F)F)CC1"]}
{"name": "Serine/threonine-protein kinase PknB", "xref": ["CHEMBL.TARGET:CHEMBL1908385"], "id": "UniProtKB:P9WI81", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5316225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJQKPXLHQUYSF-GMDSVFOVSA-N", "SMILES:C[C@@H]1[C@@H](C)[C@H](C)O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDRPHXOMMPVSE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4ccnc(Cl)c4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUQVPPSFVVYCU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4ccnc(NCc5ccccc5)c4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHBUJYBNSDDNHK-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccnc(Nc3ccc(N4CCN(C)CC4)c(C(F)(F)F)c3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFRZEJQFAQELA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4ccccc4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODADZMFXZGOMF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGQOMJGZCRMYPO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccnc(Nc3ccc(N4CCN(C)CC4)c(C(F)(F)F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVZIIULURBNHC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4ccc(C#N)cc4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCZLHHXHFHLORK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4ccc([N+](=O)[O-])cc4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAGRMGLJEVZUJU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4cccc(F)c4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSIMBPGKVWPGTE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4cccc(Cl)c4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGKSOFASRNLNSU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccnc(Nc3ccc(N4CCN(C)CC4)c(C(F)(F)F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGJRDIYMVFGUSL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4cccc(C#N)c4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZAFKCISRNOJGA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4cccc([N+](=O)[O-])c4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMKAVXZZBVVUSG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4ccc5ccccc5c4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAHHDKVUHLNVHT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4ccc(F)cc4)n3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLHAXGMYALIFJ-AWSIMMLFSA-N", "SMILES:O=C(CCCNC(=O)c1cccc(C(=O)NCCCC(=O)NCCC[C@@H](NS(=O)(=O)c2ccc(OCc3cc(Br)cc(Br)c3)cc2)C(=O)NO)c1)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJOOWNHZCTUDSG-XRSDMRJBSA-N", "SMILES:O=C(NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO)c1cccc(C(=O)NCCC[C@@H](NS(=O)(=O)c2ccc(OCc3cc(Br)cc(Br)c3)cc2)C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSVQSOCCWRHOES-KKLWWLSJSA-N", "SMILES:O=C(NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTXVPJOTKLUYMQ-QGZVFWFLSA-N", "SMILES:NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHSSEYYHQNZEDM-UHFFFAOYSA-N", "SMILES:O=C(COC(=O)c1ccc(NC(=O)c2cc3ccccc3s2)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEOHKTZPLVXCFG-NKPXSSHVSA-N", "SMILES:Nc1ccc(/N=N/c2ccc(/C=C/c3ccc(/N=N/c4ccc(N)c5ccccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWJSAOBFMHEAW-FMQUCBEESA-N", "SMILES:Cc1ccccc1/N=N/c1cc(S(=O)(=O)O)c2ccccc2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMTHZTQFLVXPBR-BUFQOAPZSA-N", "SMILES:Nc1ccc(/N=N/c2cccc(S(=O)(=O)O)c2)c2ccccc12.[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANGMGEOZQHWOBK-NKPXSSHVSA-N", "SMILES:Nc1ccc2ccccc2c1/N=N/c1ccc(/C=C/c2ccc(/N=N/c3c(N)ccc4ccccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTJLLMBFBMRJKP-DVDDBBOFSA-N", "SMILES:Cc1cc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)ccc1-c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)cc1C.[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXMXZCHPIBYHHS-BKNXFVSTSA-N", "SMILES:Nc1ccc(/N=N/c2ccc(/C=C/c3ccc(/N=N/c4ccc(N)c5ccc(S(=O)(=O)O)cc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2cc(S(=O)(=O)O)ccc12.[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKRBDVGBXGJNI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)c(C)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHPXLPHLXOYEJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCC(=O)Nc2nonc2-c2ccc(OC(C)C)c(C)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAONHWDWTCGQNL-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1Cl)Nc1nonc1NC(=O)COc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJYDFPHTVHUPV-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)Nc1nonc1NC(=O)COc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTGCTYUJTUPBS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(COC(=O)c2ccc3c(c2)c(COc2ccc4[nH]ccc4c2)cn3S(C)(=O)=O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILUBXGLQULCOCH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1cc(COc2ccc3[nH]ccc3c2)c2cc(C(=O)OCc3cc(C#N)[nH]c(=O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQGZVGFCPUFBJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(CNC(=O)c2ccc3c(c2)c(COc2ccc4[nH]ccc4c2)cn3S(C)(=O)=O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1910011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUQNVYMFAAYWPC-UHFFFAOYSA-N", "SMILES:O=CCN1C(=O)C(NC(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)N=C(c2ccccc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATOHEPXVJYTIFR-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2C)cc1"]}
{"name": "Sentrin-specific protease 3", "xref": ["CHEMBL.TARGET:CHEMBL5291568"], "id": "UniProtKB:Q9H4L4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJRLDGUCHQKHAL-UHFFFAOYSA-N", "SMILES:O=C(Oc1c(OC(=O)c2ccc(O)cc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWNWATHTRVGPDX-RITPCOANSA-N", "SMILES:C[C@H](CS)C(=O)N1CSC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVETWRVBONCQHK-VDTYLAMSSA-N", "SMILES:C[C@H](CS)C(=O)N1CCS[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL309962", "category": ["biolink:ChemicalEntity"], "name": "RENTIAPRIL", "xref": ["InChIKey:BSHDUMDXSRLRBI-JOYOIKCWSA-N", "SMILES:O=C(O)[C@@H]1CS[C@H](c2ccccc2O)N1C(=O)CCS"], "synonym": ["Rentiapril"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBBLOIWMSYVCQ-VZTVMPNDSA-N", "SMILES:CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL300891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUFQBQOBLVLKRF-RZDMPUFOSA-N", "SMILES:Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3349847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVUOCMQYKSJJR-IGRGDXOOSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPPNKRWJBBAOK-LCXINAFSSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORRZZPYNUKXKAG-OKUYAMHMSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFSMRNQSQSGJII-QYRZKEDASA-N", "SMILES:CC(C)(C)NC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)COc2cccc3ccccc23)CSC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAKBHADPRSGIFI-UCFCWBNQSA-N", "SMILES:CC(C)[C@H](Nc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)C[C@H](N)Cc2cc(F)ccc2F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTWPCOASZOFVTQ-PBXXJUDPSA-N", "SMILES:CC(C)[C@H](Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDVIBJLNEIKOTF-VDXNIVNJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJQSOXJEGOSQZ-GCNYMACQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRSIVSXNGBDME-ZDUSSCGKSA-N", "SMILES:O=C[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNQAJNNTYHSICO-AGIUHOORSA-N", "SMILES:N#C[C@@H]1CS[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNQAJNNTYHSICO-UPJWGTAASA-N", "SMILES:N#C[C@@H]1CS[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBIHNVAOHOPOGT-ALQZPTQWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCPUVTLIVXGFKZ-FDBCUYJZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@]1(Cc2ccc(O)cc2)CC(=O)N2[C@H]1SC[C@H]2C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCPUVTLIVXGFKZ-LFABDEDDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@]1(Cc2ccc(O)cc2)CC(=O)N2[C@H](C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CS[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZFKJXQYMUMVEP-UHFFFAOYSA-N", "SMILES:COc1c(CC=C(C)C)c(=O)[nH]c2c(OC)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2346913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLNMITFNBJXRRP-XNTDXEJSSA-N", "SMILES:COc1cc2ccc(=O)oc2cc1OC/C=C(\\C)CCC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZMBCVLWOJASJ-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWINXQRXURMYOG-RTXMGSRZSA-N", "SMILES:CC(C)=CCc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4861111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LATYEZNGPQKAIK-HRCYFWENSA-N", "SMILES:C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@@]12O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3613729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRYJYFCCMSVEPQ-MNIDVGFKSA-N", "SMILES:C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHKHGNFKBPFJCB-LYLKFOBISA-N", "SMILES:C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5285127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVUZRUJONIJRDT-IEYFBXSNSA-N", "SMILES:C/C=C1\\C2CC(=O)OC[C@@H](c3ccc(O)c(O)c3)OC[C@H]3O[C@@H](O[C@@H]1OC=C2C(=O)OC)[C@H](O)[C@@H](O)[C@@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4168945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNPMSYLDWCXEOI-CEMXSPGASA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL204813", "category": ["biolink:ChemicalEntity"], "name": "SANGGENON C", "xref": ["InChIKey:XETHJOZXBVWLLM-HUKCQOFTSA-N", "SMILES:CC(C)=CC[C@]12Oc3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL525084", "category": ["biolink:ChemicalEntity"], "name": "SANGGENON O", "xref": ["InChIKey:XETHJOZXBVWLLM-HCAFVXMDSA-N", "SMILES:CC(C)=CC[C@@]12Oc3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETHJOZXBVWLLM-UHFFFAOYSA-N", "SMILES:CC(C)=CCC12Oc3cc(O)c(C4C=C(C)CC(c5ccc(O)cc5O)C4C(=O)c4ccc(O)cc4O)c(O)c3C(=O)C1(O)Oc1cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCKCQBOVSSJSK-PYQWHEAPSA-N", "SMILES:CC(C)=CCCC1=C[C@H](c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2O)O3)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL377937", "category": ["biolink:ChemicalEntity"], "name": "KUWANON L", "xref": ["InChIKey:ZEZOBFSLMMTYFF-HQSFFLIMSA-N", "SMILES:CC1=C[C@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAIGBNIWSBFKNA-OQYGYJIPSA-N", "SMILES:O=C(CCc1ccccc1)C[C@H]1C[C@H](c2ccccc2)c2c(cc(/C=C/c3ccccc3)oc2=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL512693", "category": ["biolink:ChemicalEntity"], "name": "NEOBAVAISOFLAVONE", "xref": ["InChIKey:OBGPEBYHGIUFBN-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1cc(-c2coc3cc(O)ccc3c2=O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL453641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTTQKYMNTNISSZ-MWTRTKDXSA-N", "SMILES:C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1O)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1770312", "category": ["biolink:ChemicalEntity"], "name": "KUWANON A", "xref": ["InChIKey:DBUNRZUFILGKHP-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(-c2ccc(O)c3c2OC(C)(C)C=C3)oc2cc(O)cc(O)c2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLIZUAOGCMHKEY-UHFFFAOYSA-N", "SMILES:O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)NCCc1cnc[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTMFXRKQFHFEP-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)C1c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL525767", "category": ["biolink:ChemicalEntity"], "name": "SCOPARASIN B", "xref": ["InChIKey:YXSYADYLBHSOLA-PZOHNQLKSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)[C@@]34OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@H](O)[C@](C)(O)[C@@H](C)[C@@H]24)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5282058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBOOPZZNLVSFIF-USAQDYOXSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTYKJLVQRZFITH-DPXZQEIRSA-N", "SMILES:C[C@H](CCC(=O)NCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTNUHMZETOXFDL-FAQAHJPFSA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](OC(=O)c5cccnc5)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZIKWXTNVWDAB-JPNWVCBHSA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTEZYTUOBQISDP-FAQAHJPFSA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(=O)c4cccnc4)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTEZYTUOBQISDP-CFNMNUOLSA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC(=O)c4cccnc4)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYKVZQMEAUZRC-SHABMYLESA-N", "SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC(=O)c4ccc(F)cc4)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLHXBAYJVIMROT-INIZCTEOSA-N", "SMILES:O=C1CN(Cc2ccc(C(=O)NO)cc2)C(=O)[C@H](Cc2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLHXBAYJVIMROT-MRXNPFEDSA-N", "SMILES:O=C1CN(Cc2ccc(C(=O)NO)cc2)C(=O)[C@@H](Cc2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFVKMAGFYMKRQA-HSZRJFAPSA-N", "SMILES:O=C(NO)c1ccc(CN2CC(=O)N(Cc3ccccc3)[C@H](Cc3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTMMPDRQFKUMGA-HSZRJFAPSA-N", "SMILES:O=C(NO)c1ccc(CN2CC(=O)N(Cc3ccccc3Cl)[C@H](Cc3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIBTUEOJZOKJGK-HSZRJFAPSA-N", "SMILES:O=C(NO)c1ccc(CN2CC(=O)N(Cc3ccc(Cl)cc3)[C@H](Cc3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNBRUHPJCKSKN-HSZRJFAPSA-N", "SMILES:O=C(NO)c1ccc(CN2CC(=O)N(Cc3cccc(Cl)c3)[C@H](Cc3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNBQZUEGUZARL-XMMPIXPASA-N", "SMILES:COc1cccc(CN2C(=O)CN(Cc3ccc(C(=O)NO)cc3)C(=O)[C@H]2Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWQFNHQQZCXTJ-SFHVURJKSA-N", "SMILES:O=C1CN(Cc2ccc(C(=O)NO)cc2)C(=O)[C@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWQFNHQQZCXTJ-GOSISDBHSA-N", "SMILES:O=C1CN(Cc2ccc(C(=O)NO)cc2)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBAHFFXLJRNMPJ-INIZCTEOSA-N", "SMILES:O=C1CN(Cc2cccc(C(=O)NO)c2)C(=O)[C@H](Cc2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYSFTPFJQVCGV-UHFFFAOYSA-N", "SMILES:CN1C(=O)CN(Cc2ccc(C(=O)NO)cc2)C(=O)C1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQJZWBRHMXQHH-UHFFFAOYSA-N", "SMILES:C=CN1C(=O)CN(Cc2ccc(C(=O)NO)cc2)C(=O)C1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQPQSAPBIKEBH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CC(=O)N(c3ccccc3)C(CCc3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRGZNMDZRYKTLB-CBRLOKOCSA-N", "SMILES:O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCCC2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKGYNBROFYJHR-UHFFFAOYSA-N", "SMILES:O=C(NCCCNC1CCCCC1)c1ccc(CNCCCNC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAKFGEFAVSVPJO-UHFFFAOYSA-N", "SMILES:c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHYUNFFTRVIHPX-UHFFFAOYSA-N", "SMILES:c1c(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)cc1CNCCCNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYXFLBKAKUKQHI-UHFFFAOYSA-N", "SMILES:c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQFXBEBLUJRZQA-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc(CNCCCNC3CCCCC3)cc2)ccc1CNCCCNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIFCWFOVWBZLEN-UHFFFAOYSA-N", "SMILES:c1ccc2c(CNCCCNC3CCCCC3)ccc(CNCCCNC3CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYAFEXWCVGVPH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNDFVHJUTHVAAE-UHFFFAOYSA-N", "SMILES:Nc1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONDYWUISNCFJA-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHNQZAYCJLXCZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGNFLZMFYXFVHC-UHFFFAOYSA-N", "SMILES:Nc1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVIBJLRCRUXBC-UHFFFAOYSA-N", "SMILES:CNc1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROBGNMFAVIGJDF-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQNOBSEUWSOON-UHFFFAOYSA-N", "SMILES:c1cc(CNCCCNC2CCCCC2)ncc1CNCCCNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CULMZZFWZXYOGL-UHFFFAOYSA-N", "SMILES:c1cc(CNCCCNC2CCCCC2)nc(CNCCCNC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWJFGKSEPZQLHS-UHFFFAOYSA-N", "SMILES:O=C(NCCCNC1CCCCC1)c1ccc(C(=O)NCCCNC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMRXBNSVRJWWAZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(CNC(=O)c3ccno3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HETBRWGTYNKOIJ-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccccc1)C(=O)N1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJLITFHSZNZMQ-SGNDLWITSA-N", "SMILES:CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1nccs1)N(O)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRCPLBFLOSEABN-UHFFFAOYSA-N", "SMILES:CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIQCBIEAHJAMZ-UHFFFAOYSA-N", "SMILES:CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCCRGGIJNDEAB-UHFFFAOYSA-N", "SMILES:CC(C)CC(NC(Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATQVALKDAUZBW-UGUGPVJNSA-N", "SMILES:O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL216826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCUQJAMKDBWCOW-NQOGYPPHSA-N", "SMILES:COc1ccc(S(=O)(=O)O)cc1/N=N/c1c(S(=O)(=O)O)cc2cc(Nc3nc(Nc4ccccc4)nc(Nc4cc(C)c(/N=N/c5cc(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(O)c56)cc4OC)n3)ccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJVHAJJEMJNPHN-UITAMQMPSA-N", "SMILES:C/C(=N/NC(N)=S)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJHUJPNTFAWJL-GPRIDDLASA-N", "SMILES:C=C(N[C@@H](CCCN=C(N)N)C(=O)Cl)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCCCCCC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIGATAYQAZTAOH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFSLXLDKXBOQN-UHFFFAOYSA-N", "SMILES:OC(COc1cccc(OCC(O)CN2CCCCC2)c1)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWEXQFDOYROPDJ-LGXKEZDMSA-N", "SMILES:CC[C@H](C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKUAQYQSZCUUFW-FXLKCYOMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBLTWUZIFRZOSV-SQWMWQRLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBKZEBXZFDTMV-NFJLVMAISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQHCPQSUCVYZJC-HDWSBWSBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGRCOORSPDJDL-HSEVSOEHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CO)NC(=O)[C@@H](CS)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBZVPVWAHUNAJR-MYFNGHNISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CS)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)O)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKKNQMFHKZEGQU-KQWNVCNZSA-N", "SMILES:COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\\c2[nH]c(C)c(C(=O)NCCN3CCCC3)c2C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVFGQHCNIZKKI-GALOYMNVSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)[C@@H]1CCCN1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYQHKMIQKXCKKU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ncc(CCNc3ncnc4[nH]c(-c5ccccc5)cc34)s2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUAIPAJGPDBBCW-UHFFFAOYSA-N", "SMILES:Cc1cc2ncc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7724", "category": ["biolink:ChemicalEntity"], "name": "AG1295", "xref": ["InChIKey:FQNCLVJEQCJWSU-UHFFFAOYSA-N", "SMILES:Cc1cc2ncc(-c3ccccc3)nc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRNNGONZVJUBCF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1c(N)ncc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMZMEJFJABYIMJ-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(C)c(C)c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDWOEUVAOGUXGP-MEMLXQNLSA-N", "SMILES:CCCCNc1ncc2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIDBZYFDDUYYLH-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc3cccc(-c4cccc(C(N)=O)c4)c3o2)ccc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3792850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHWYQHKGOYXAON-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPOKSLXILOTPCR-UHFFFAOYSA-N", "SMILES:O=C(c1ccncc1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDTAJUONJQNBDK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CN2CCCCC2)cc1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCAYZGCTSXLIHO-SOLYNIJKSA-N", "SMILES:CNC(=O)[C@@]1(N)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544478", "category": ["biolink:ChemicalEntity"], "name": "DENFIVONTINIB", "xref": ["InChIKey:SXWMIXPJPNCXQQ-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)c3c(=O)[nH]cc(Br)c3n2)CC1"], "synonym": ["Denfivontinib", "Denfivontinib", "Denfivontinib", "G-749"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLTPJGABPAYONH-UHFFFAOYSA-N", "SMILES:Cc1ncc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1c(N)ncc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFUPGNZUPRHCZ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccnc(Nc2cccc(-c3cccnc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4098122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLONOPPMRIDVGM-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2c3[nH]c4ccccc4c3ccn12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBNYVBXLWVPJK-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Sc3nc[nH]n3)c(O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBWNDXAVUPAAIJ-ROMGYVFFSA-N", "SMILES:C=CCOC(=O)/N=c1\\oc2cc(N(CC)CC)ccc2cc1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUIXHSIMKQZYPV-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1969108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPZKCOVBWFYTQJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Oc2nc3nc4ccccc4nc3nc2OS(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOUGCFLCXZGDOC-OLFWJLLRSA-N", "SMILES:O=C(O)c1ccc(NC2=C/C(=N/S(=O)(=O)c3ccc4ccccc4c3)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNQBMSFANYUQDF-MKKRQWMVSA-N", "SMILES:N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKRZSUAWHYNAE-DMTHXQJOSA-N", "SMILES:CC(=O)N[C@@H](CC(=O)O)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUJAHTSGLDPGHW-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2nnn[nH]2)c2ccc(N(Cc3nnn[nH]3)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGVVGXJVLYMRP-UBCURMOZSA-N", "SMILES:CC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDUXQRUQCLUZNW-NRPBRGEBSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVFSJIXJZCDICF-SRVKXCTJSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAJCJXBEWLQDZ-UBHSHLNASA-N", "SMILES:N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQUCJPCSDEXKK-FTVAONANSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEYLEFUBCXEKAO-OZQOVSETSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CC[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(N)=O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSRHPYODVODDAU-DNYYETACSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc2ccc(cc2)OCCSC[C@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLUNZERKIOUVHX-SFHAFHHTSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc2ccc(cc2)OCCSC[C@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303611", "category": ["biolink:ChemicalEntity"], "name": "PFK-158", "xref": ["InChIKey:IAJOMYABKVAZCN-AATRIKPKSA-N", "SMILES:O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1"], "synonym": ["Pfk-158"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOWVSXSKHGJPD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NS(=O)(=O)c2cc(-c3ccc4c(c3)OCO4)c(Cl)s2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNHHTEKOJQFBOQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NS(=O)(=O)c2cccc(-c3ccc4ncccc4c3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBQMKSKMRIIKKJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKDJWDCUPAPLTK-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1cccc(-c2cc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)sc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3727558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHSBMGUZSTJRL-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2cccc(C(=O)O)c2)oc2ccc(C(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERICNKIDOUEQL-UHFFFAOYSA-N", "SMILES:Cc1ccc2sc(S(=O)(=O)Nc3cccc(-c4nnn[nH]4)c3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPUAEBALQTUPO-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2cccc(C(=O)O)c2)sc2ccc(C(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3728731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLZAWLLXDSRBZ-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2cccc(C(=O)O)c2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3731845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLGDHFSWRXNYEM-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)Nc2cccc(-c3nnn[nH]3)c2)oc2ccc(C(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMDAPLBIOHQKQX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQESQZGRGLZODB-UHFFFAOYSA-N", "SMILES:Cc1nc(NS(=O)(=O)c2sc3ccc(C(C)C)cc3c2C)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOWGYMNWMDNSTL-ONEGZZNKSA-N", "SMILES:O=C(/C=C/c1cccnc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJUKZPBUMCSJZ-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1ccc2ccccc2n1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMZFZTMWBCFKSS-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(O)cc2)coc2c(O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4751366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUORYJVNLAHVKL-UHFFFAOYSA-N", "SMILES:O=C(CBr)NCCOP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRMBZXPQJOYLID-DEOSSOPVSA-N", "SMILES:Cc1coc2ccc(-c3cc(N[C@@H](c4cnn(C)c4)c4cnnn4C)cc4nccnc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOUUDGXVQXSLHK-UHFFFAOYSA-N", "SMILES:Cn1ccc2ccc(-c3cc(Nc4cnccc4S(C)(=O)=O)cc4nccnc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNSFFJLFHRNWQC-UHFFFAOYSA-N", "SMILES:Cn1ccc2ccc(-c3cc(Nc4cnccc4C(=O)NC4CCOCC4)cc4nccnc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYJRNFFLTBEQSQ-UHFFFAOYSA-N", "SMILES:Cc1csc2ccc(-c3cc(Nc4cnccc4S(C)(=O)=O)cc4nccnc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDFCYMUXHUTCS-UHFFFAOYSA-N", "SMILES:O=C(OCCO)c1ccc(NS(=O)(=O)c2cccc(-c3cc(F)ccc3O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDVUKRHRMBDQTD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NS(=O)(=O)c2cccc(-c3cc(F)ccc3O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTQCFIUGBIYRNU-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2ccncc2Nc2cc(-c3cc(F)c4ccn(C)c4c3)c3nccnc3c2)C1"]}
{"name": "6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL3421524"], "id": "UniProtKB:P16118", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2", "xref": ["CHEMBL.TARGET:CHEMBL3421525"], "id": "UniProtKB:O60825", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOABNHZJNYSAR-UHFFFAOYSA-N", "SMILES:O=C1NC=NC2C1C=C(c1ccc(Br)cc1)N2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXKVJOXIIHCRI-UHFFFAOYSA-N", "SMILES:O=C1NC=NC2C1C(c1ccc(Cl)cc1)=CN2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSAHWTNNGCHIFH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=CN(c3cccc(OC)c3)C3N=CNC(=O)C23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUOIZGCHLJYDJH-UHFFFAOYSA-N", "SMILES:O=C1NC=NC2C1C(c1ccccc1)=CN2c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2133115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRIGMYLLVAJOTF-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)c2cc3c(ccc4ccccc43)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKSODCLCMBUCPW-KXJTVXFKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVHUFSCKCBQKJW-IEBWSBKVSA-N", "SMILES:N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL115543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDBPTZOOUNAWQA-LSBAASHUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3729661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKFIINRDHEJHI-ZDUSSCGKSA-N", "SMILES:COc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKSHXRYAERJOBI-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(Cc1ccc(F)cc1)cn2CCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGVVWAAMVIBHH-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2c[nH]c3ncc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MACKJBHSMLAAGO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDJUDDEOGSZCB-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URFCMVULTIAJNO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CC(N)=O)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEBMDHGQZGODS-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OCCCC(=O)O)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBIJGNHFFWAGLZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC(=O)O)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVBTYGFHRAPKX-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(-c2c(Cl)ccc(O)c2Cl)cc2cnc(Nc3ccc(OCCCC(=O)O)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJIVPJOEDIEVGM-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(C)cccc4C)c(=O)n(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXAQLWEFWQGGR-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3c(C)c(-c4c(C)cccc4C)c(=O)n(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRLKGXPWFZGHU-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(Nc2ncc3c(C)c(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRFOICHBBXLLP-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3cccc(N(C)C)c3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZYZBBELANBFU-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(OCCN(C)C)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRUAARSJQLHNKG-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(CCN(C)C)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVBDUXHVFQQJZ-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUXJOVLMVFCZLM-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQJXNFAPFAONON-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(N)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYYNGWLOYLRZLK-MOPGFXCFSA-N", "SMILES:CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLIWTLPTXAGPQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3cc(Cl)c(OC)c(Cl)c3)c(C#N)cnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZIZOIKJNJMKU-UHFFFAOYSA-N", "SMILES:COc1cc(OC(C)=O)c2c(c1)C1(C=C(OC(C)=O)C(=O)C=C1C)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPBPEKVTIEYJX-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(c1)C1(C=C(OC(C)=O)C(=O)C=C1C)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFGIHDYQVAVDS-UHFFFAOYSA-N", "SMILES:COc1cc2c(c3c1CCC(c1ccccc1)O3)C1C3C(c4ccc(O)c(C)c4OC)C(C(O)(OC)c4ccccc4)C14C(C=CC(=O)C4OC)OC3(c1ccccc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBFHTQGXPIABP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1coc(CSc2cnc(NC(=O)C3CCNCC3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKQFYXRYOWQEDG-VIFPVBQESA-N", "SMILES:C[C@@H](CO)Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLOCUZCZFZGCR-FMDNFLHSSA-N", "SMILES:C[C@@H](CO)Nc1nc(N)c(/[N+]([O-])=N/C#N)c(OCC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDCSNUDYUATTI-UHFFFAOYSA-N", "SMILES:O=C(CCCn1cc(CNC2CCCCC2)c(-c2ccccc2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYYTSZOQJZHGT-UHFFFAOYSA-N", "SMILES:O=C(CCCn1cc(CNC2CC2)c(-c2ccccc2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRFRYSCWVPGGRA-UHFFFAOYSA-N", "SMILES:O=C1CC(=O)N(c2ccc(F)cc2)C(=S)N1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITIENCMIAPFAJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1C(=O)C(C2C(=O)N(C(=O)c3ccccc3)C(=S)N(c3ccc(F)cc3)C2=O)C(=O)N(c2ccc(F)cc2)C1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904602", "category": ["biolink:ChemicalEntity"], "name": "LEROCICLIB", "xref": ["InChIKey:YPJRHEKCFKOVRT-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1"], "synonym": ["Lerociclib", "G1t38", "Lerociclib", "G1T-38", "G1T38", "G1T38 FREE BASE", "Lerociclib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225966", "category": ["biolink:ChemicalEntity"], "name": "SEL-120 FREE BASE", "xref": ["InChIKey:FSBMCTDYWXIBLM-UHFFFAOYSA-N", "SMILES:Cc1c(Br)c(Br)c2c3c1nc(N1CCNCC1)n3CCC2"], "synonym": ["Sel-120 free base"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZRXVMQLQSKPO-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2c(O)c3ccccc3oc2=O)CC1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDQQTKCDLMOQJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccnc(Nc4ccc(S(=O)(=O)Nc5nccc(C)n5)cc4)c3C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJFXCUHHGQVFY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccnc(Nc4ccc(S(=O)(=O)Nc5cc(C)no5)cc4)c3C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFXTVBKCYHMPRP-LFIBNONCSA-N", "SMILES:COc1ccccc1/C=C/C(=C(C#N)C#N)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFOLYFTLSRURR-UHFFFAOYSA-N", "SMILES:Nc1c([N+](=O)[O-])cnc(NC2CCCCC2)c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGFLZVMWVHHLW-UHFFFAOYSA-N", "SMILES:CNc1nc(C)c(-c2nc(Nc3ccc(N4CCC(N(C)C)CC4)cn3)ncc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPHVMFRTJONQHY-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZMKTUUTLUIWJN-FLIBITNWSA-N", "SMILES:O=C1N=NC(=O)/C(=C\\Nc2ccc(-c3nc4ncccc4[nH]3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81977", "category": ["biolink:ChemicalEntity"], "name": "3-AMINOBENZAMIDE", "xref": ["InChIKey:GSCPDZHWVNUUFI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(N)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXSIHXHEHABEJX-UHFFFAOYSA-N", "SMILES:CCCN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL133694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDMKDXGNVJWCD-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPFWTAVHQKERKY-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372303", "category": ["biolink:ChemicalEntity"], "name": "PJ34", "xref": ["InChIKey:UYJZZVDLGDDTCL-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAOVWNRUILQMAO-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHKLNCWNQOYHN-UHFFFAOYSA-N", "SMILES:C1=Cc2ccccc2CN1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL125200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLZPXDJYADIEU-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1CCNC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMNQIVHHHBBVSC-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVOUDNBEIXGHJY-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c(OCCCCN3CCCCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPQCKWJQFVVFBQ-UHFFFAOYSA-N", "SMILES:O=C1NCCC2=C(c3ccc(CN4CCCC4)cc3)Cc3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSZNYLPVBOGPO-UHFFFAOYSA-N", "SMILES:O=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F"], "synonym": ["KU-58684"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQFPYADHVFRKQ-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)F)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENYZIUJOTUUNY-INIZCTEOSA-N", "SMILES:C[C@@]12CCCN1CC1=NN=C(O)c3cc(F)cc4[nH]c2c1c34"]}
{"id": "CHEMBL.COMPOUND:CHEMBL131719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOUGHMOSYJCJLE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(O)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3930624", "category": ["biolink:ChemicalEntity"], "name": "FLUZOPARIB", "xref": ["InChIKey:XJGXCBHXFWBOTN-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2nc(C(F)(F)F)nc2C1"], "synonym": ["Fuzuloparib", "Fluzoparib", "Fuzuopali", "Shr3162", "HS-10160", "HS10160", "SHR-3162", "SHR3162"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKCOOWPRZTMQC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncc(NC(=O)Nc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWIKDNFQMOLIX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEOKVBJQCDUAPF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AURNDRDGFOEYTM-UHFFFAOYSA-N", "SMILES:CCc1cccc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKTWNWFBPHCAE-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2ccc(NC(=O)CSc3nc4cc5ccccc5cc4c(=O)n3-c3ccc(S(N)(=O)=O)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRGMPDDTRQBINV-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(OCCn4ccnc4[N+](=O)[O-])c(Cl)c3)c2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVUNVZJAZOJWRZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCNc1nc2ccccc2c2c(C(=O)c3ccc(F)cc3)c(N)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYNOHPDGKQGDO-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)Nc1ccc(-c2nc(NCCN(C)C)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEWANAUWTDNRAU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ncnc2cc(OC)c(OCCN3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVJACSNCQKDTE-UHFFFAOYSA-N", "SMILES:CCCN(c1ccc(F)c(Cl)c1)c1ncnc2cc(OC)c(OCCCN3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJCOMUJFBZZKDP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFQUNUNAFYNODH-CNSANGOLSA-N", "SMILES:CN(C)CCn1cccc1/C=N/NC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMLJOPEJOMHIT-SDMSFHIGSA-N", "SMILES:O=C(N/N=C/c1cnc(N2CCCC2)nc1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMXQKACLGIYMG-MTCRFPMVSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cc2c(N3CCc4ccccc43)ncnc2cc1O[C@@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMRHNUZYPNMDU-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBKHQQZRHCECKK-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1339506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUFRQNTUVKVLBK-UHFFFAOYSA-N", "SMILES:NCC(O)CN(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL357499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYFDXDATVPPDR-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVHRRJQVORLRD-UHFFFAOYSA-N", "SMILES:CC(=O)O.NCC(O)CN(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVHRRJQVORLRD-RSAXXLAASA-N", "SMILES:CC(=O)O.NC[C@H](O)CN(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVHRRJQVORLRD-XFULWGLBSA-N", "SMILES:CC(=O)O.NC[C@@H](O)CN(c1ccccc1)c1ccccc1"]}
{"name": "ATP-dependent RNA helicase DDX1", "xref": ["CHEMBL.TARGET:CHEMBL2010634"], "id": "UniProtKB:Q92499", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHIIHYDOYADFD-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCN(C(=O)Nc2cccc3ncccc23)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDICYJQVOFOYHC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cn(C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMDMVJXTEMLGRO-DHZHZOJOSA-N", "SMILES:Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAXZERYOFDXUJS-ZZXKWVIFSA-N", "SMILES:O=C(/C=C/c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEUSYJIYSWWOC-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccccc2)CC1c1ccccc1OCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPORKSKGJAFCSV-ZHACJKMWSA-N", "SMILES:N#Cc1cccc(-c2cn(CCCCCCn3cccc(/C=C/C(=O)NO)c3=O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMNZPZBYORGTE-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)N(Cc1ccc(Br)s1)c1ccc(OCCN2CCOCC2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFKGMCJELNJBM-JEZXPMEWSA-N", "SMILES:O=C(/C=C/c1ccc(CN2C/C(=N\\O)c3cc(Cl)ccc32)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFBVLNUGRMTNN-UULUQNPASA-N", "SMILES:CO/N=C1\\CN(Cc2ccc(/C=C/C(=O)NO)cc2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELKPUOPDHOTMT-NTCAYCPXSA-N", "SMILES:Cc1ccc2c(c1)/C(=N\\O)C(=O)N2CCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBWZWBVBCNWTLM-RGEXLXHISA-N", "SMILES:O=C(CCCn1cc(CN2C(=O)/C(=N\\O)c3cc(F)ccc32)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAIHTCRHNKEQCL-RGEXLXHISA-N", "SMILES:O=C(CCCn1cc(CN2C(=O)/C(=N\\O)c3cc(Br)ccc32)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJQVTFSKOVWQY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C1(OCCO1)C(=O)N2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTKIJOKLURAEO-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCN1C(=O)C2(OCCO2)c2cccc(Cl)c21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCRLHBZJKVKRTN-ZETCQYMHSA-N", "SMILES:Nc1ccnc(NC(=O)[C@@H](N)CCCCC(=O)NO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKPLSFYMWTVURJ-FQRUVTKNSA-N", "SMILES:O=C(CCCCCN1CCN2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Br)cc2)C1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHAJZIWMWWLOX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nc2ccc(C(=O)c3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCUTTTWXKRIFT-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(F)c(Nc2ccccc2-c2ncnc3[nH]cnc23)c1F)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDDKAFOFBAGKP-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(Oc2cc3nccc(Oc4ccc(NS(=O)(=O)c5cc(F)ccc5F)cc4F)c3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJXMEVOEGYJKTE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)C1(c2ccnc(NCCN3CCN(C)CC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGNTNJKZIDUNY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Cn2ccc3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc32)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVTXIYNOQLNMPV-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYMAOQBZPGJLNV-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c(Cl)c1Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVFGEUFMTRWFBI-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(NC(=O)c3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULDCJAABQMYJGE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN=C(NC(=S)Nc3ccc(Cl)cc3)SC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJMYOCWLYQGRW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(C(=O)c3ncc[nH]3)cc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTSLTMIIJYRQT-UHFFFAOYSA-N", "SMILES:Cc1nccn1-c1cc(C(=O)Nc2cccc(-c3cc(C(=O)OCCN4CCOCC4)[nH]n3)c2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZPUNGNICWACST-KIQLNDKJSA-N", "SMILES:COC[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1NN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPCXEUSDRQOOGZ-YYADALCUSA-N", "SMILES:CN(C)CCOc1ccc(-c2n/c(=c3\\ccc4c(c3)CCC=4N=O)c(=C3C=CNC=C3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYYKGSDLXXKQCR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBKSRZBQMIKRLM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(Nc3cccc4[nH]ncc34)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYDJZXWEGXWIQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(NC(=O)c3c[nH]c4ccccc34)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKARUKFVYVPHK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nn(-c3ccc(NC(=O)CN4CCOCC4)cc3)cc2-c2ccncc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFRHKXCHHSREIY-CMDGGOBGSA-N", "SMILES:COC(=O)c1ccccc1-c1ccc(/C=C/[N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMHTAOGZUMQLA-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYIHPYAKKJHRZ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXOCHOSJBRDQIZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(-c2sc(C3CCN(C4CC4)CC3)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHNOFJXGOWHOE-UHFFFAOYSA-N", "SMILES:CCC[S+]([O-])Nc1ccc(F)c(Cc2c[nH]c3nc(N)n(C)c(=O)c23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOKJZPXZXWUIQD-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMSNEHPREQTYLU-UHFFFAOYSA-N", "SMILES:Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(N[S+]([O-])C(C)C)c3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMEBBSDHOMWAOU-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(F)c3)nc3occn23)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYADEHTYBROPGP-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCC(=O)Nc2cccc(-n3cc(-c4ccncc4)c(-c4ccc(Cl)c(OC)c4)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGVHYALCFQXNY-VCHYOVAHSA-N", "SMILES:COc1ccc(-c2n[nH]c(/N=C/c3ccc(O)c(OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230020", "category": ["biolink:ChemicalEntity"], "name": "PLX-4720", "xref": ["InChIKey:YZDJQTHVDDOVHR-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEZZLWQELQORIU-PYCFMQQDSA-N", "SMILES:OCCn1cc(-c2ccc3c(c2)CC/C3=N/O)c(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4163133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZYGJYQIJWYMS-WBVMMGACSA-N", "SMILES:C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKOVDTPPRNWRIR-PQFYITIMSA-N", "SMILES:CCC(C)C(NC(=O)C(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMGVGFCIDQIMX-GKUUNLLTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQMWJJLJMPNDD-NOZQJVKLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZUMPWZEUMSXEV-NOZQJVKLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWCYVIHSUMMHE-AMHARMQJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWERYIRYQUQGEN-JGPWNBCBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSOTYMFUWTIIR-ANFBDSDOSA-N", "SMILES:Cc1nc(CCC(=O)NCCCCC(=O)N[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFJUWLIBSALJI-JFJSFLDJSA-N", "SMILES:Cc1nc(CCC(=O)NCCOc2ccc(OCC(=O)N[C@@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)cc2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4755687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHAQTENVDNMYIQ-UHFFFAOYSA-N", "SMILES:CNC(=O)CCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZWXVIVAKKMPK-QGOAFFKASA-N", "SMILES:COc1ccc(/C=N/NC(=O)CCCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDFWBANYDEWBA-MVIMOGLESA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)SCCCCCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVARZBJJMMUJHI-QQCMMSCGSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOc2ccc(CN3CCN(c4cc(-c5ccccc5O)nnc4N)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITQQXWDPRWBLK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCc3c(n(Cc4ccc(O)cc4)c4ccccc34)C2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXYEWMDAGIULV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)cc1)N1CCc2c(n(Cc3ccc(O)cc3)c3ccccc23)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL309025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BATDWBFOHSRWLI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1O)N1CCc2c(n(Cc3ccc(O)cc3)c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIUDCVJIJWJSP-GQCTYLIASA-N", "SMILES:COc1cncc(C(=O)Nc2ccc(/C=C/C(=O)N3CC4C=C(c5ccnn5C)CC4C3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULBQCKUHGVINR-GELBITPBSA-N", "SMILES:O=C1CNCc2cc(/C=C/C(=O)N3C[C@H]4CC(c5ccccc5)=C[C@H]4C3)cnc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULBQCKUHGVINR-VOTSOKGWSA-N", "SMILES:O=C1CNCc2cc(/C=C/C(=O)N3CC4C=C(c5ccccc5)CC4C3)cnc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPDIZCHVIMSMQ-OWOJBTEDSA-N", "SMILES:O=C1Nc2ncc(/C=C/C(=O)N3CC4C=C(c5ccsc5)CC4C3)cc2CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTHXOQIDEXDBSX-RMKNXTFCSA-N", "SMILES:Cc1c(C2CN(C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)C2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAEAKTBHLFKUKT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(Cc3ccc(C)cc3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBTWCAOUVLMCW-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cnc(-c3ccsc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVNPCRMKZHRPEV-DHZHZOJOSA-N", "SMILES:Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)c2ccccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFPMLBVLWZSQX-CSKARUKUSA-N", "SMILES:CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1ccc(N)nc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3623392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCQGMBXMCSNCM-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2coc(COc3ccccc3)cc2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUQQQAHCVGAMJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2cn(C)c(COc3ccccc3)cc2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDQFEMZFLZBHOU-XQRVVYSFSA-N", "SMILES:CC(C)CCCC/C=C\\CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVAONCZDYSKEC-UHFFFAOYSA-N", "SMILES:O=c1ccn(Cc2cccc(Br)c2)cc1C(O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAUUZHPOUVEGRQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1Oc1c[nH]c(COc2ccccc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSJRGQODYZOEH-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1Oc1cn(C)c(COc2ccccc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKMLGVMFTQCUEI-AATRIKPKSA-N", "SMILES:Cc1cc(Cl)ccc1Oc1coc(/C=C/c2ccc[nH]2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMPPYSGPXLMNG-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTZBYPBMTXCSO-UHFFFAOYSA-N", "SMILES:Oc1ccccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUPPMDCSGSHZHI-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccccc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTLRRZWZYDDLD-UHFFFAOYSA-N", "SMILES:Oc1cc(Cl)ccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSKLYRKBPFVGEJ-HQIZRNBFSA-N", "SMILES:C=C1C(=O)OC[C@H]1C/C=C(\\C)CC(=O)C=C(C)C"], "chembl_natural_product": true}
{"name": "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI", "xref": ["CHEMBL.TARGET:CHEMBL5291548"], "id": "UniProtKB:P44432", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:71421"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNYAJQFXIRAFR-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1Cc1c(Cl)n(Cc2cccc(Cl)c2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQFWCCKOQVYQS-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1Cc1c(Cl)n(Cc2cccs2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510257", "category": ["biolink:ChemicalEntity"], "name": "VINAXANTHONE", "xref": ["InChIKey:MEYYEMQDVMMNNR-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2c(=O)c3c(C(=O)O)c(O)c(O)cc3oc2c(C(C)=O)c1-c1coc2cc(O)c(O)c(C(=O)O)c2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463175", "category": ["biolink:ChemicalEntity"], "name": "CEPHALOCHROMIN", "xref": ["InChIKey:JGQBYBXYRUCBQY-UHFFFAOYSA-N", "SMILES:CC1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)CC6=O)c(O)cc(O)c3c2O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL525803", "category": ["biolink:ChemicalEntity"], "name": "CHLOROPEPTIN", "xref": ["InChIKey:FRRCHJPQSWYJSH-OZICGBTHSA-N", "SMILES:CN1C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]2NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)Cc3c[nH]c4c(cccc34)-c3cc2cc(c3O)Oc2ccc(cc2)C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL524665", "category": ["biolink:ChemicalEntity"], "name": "COMPLESTATINS A", "xref": ["InChIKey:ZFUGTFLRENMBAG-HYTWXIRXSA-N", "SMILES:CN1C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]2NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)CC3C(=O)Nc4cc(ccc43)-c3cc2cc(c3O)Oc2ccc(cc2)C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIMFBLBDPZGLR-OTLJHNKQSA-N", "SMILES:CN1C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]2NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)Cc3cc4ccc(cc4[nH]3)-c3cc2cc(c3O)Oc2ccc(cc2)C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZWXJMOSPPGAG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCc1cc(OC2OC(CO)C(O)C(O)C2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRYADTKRRRPFOA-ALCCZGGFSA-N", "SMILES:CC(C)CCC/C=C\\CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTJJJLSLKZFEPJ-LICLKQGHSA-N", "SMILES:C=CC(C)(C)C12C=C(O)C(=O)N3/C(=C/c4cnc[nH]4)C(=O)NC31N(OC)c1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3597020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDRRKVUJLNFSR-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(Cc2cc(O)c(-c3ccccc3)c(=O)[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3088173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRSVTXAGGLLHU-UHFFFAOYSA-N", "SMILES:Cc1csc(C(C)(O)c2nnc(Nc3ccn(Cc4c(F)cccc4F)n3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2323585", "category": ["biolink:ChemicalEntity"], "name": "PYRIDOMYCIN", "xref": ["InChIKey:WHIKSLGSXKIHCA-IGCCMALHSA-N", "SMILES:CC/C(C)=C1\\OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5291250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBYUENLTLHTMGB-UHFFFAOYSA-N", "SMILES:Oc1cc2ccc1Oc1ccc(cc1)CCc1ccc(c(O)c1)Oc1ccc(cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808155", "category": ["biolink:ChemicalEntity"], "name": "CHALCOMORACIN", "xref": ["InChIKey:SEHVRKPXIDOTRX-QQDDVHTNSA-N", "SMILES:CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3787669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGGMVQDDHDCRDM-UHFFFAOYSA-N", "SMILES:CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFDDWMINUVYFL-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKSSHRSJGZQOV-UHFFFAOYSA-N", "SMILES:CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)N(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFOMFKXWFKHML-UHFFFAOYSA-N", "SMILES:O=c1c2c([nH]c3ncnn13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEGMXGCEQZMHBD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CN(C)CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIYIUKHXJRLSGL-UHFFFAOYSA-N", "SMILES:CN(CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1cccc(NC(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQJJDKDPHAZPEX-VMPITWQZSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(CN(C)CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKDQRDTZMQKLQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)C1CCN(CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUVMHEGGYLIJHD-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2cnn(CCNC(=O)CCl)c2)[nH]c2c(C#N)cnn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMUMBMZOKAIEN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2cc(-c3[nH]c4c(C#N)cnn4c(=O)c3C(C)C)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFTLGLOWZBFFND-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2cnn(C3CCN(C(=O)CCl)CC3)c2)[nH]c2c(C#N)cnn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWCCMHWAMQURK-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCOc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVDOFFKSJJORQ-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2ccc(OCCNC(=O)CCl)cc2)[nH]c2c(C#N)cnn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1336959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRXMYBAZKJBJAB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2sc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3188597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZCPICCWKMZDT-UHFFFAOYSA-N", "SMILES:O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5275243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQYPXABZCTNAE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(CN2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3108956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDIPAQOCWAFNMZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2169917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGOLESVOJUGOK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(-c2cc(C(=O)NCCc3ccccc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYTUBIHWMKQZRB-ONEGZZNKSA-N", "SMILES:CCC(O)/C=C/C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1600824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUSUHKVFWTUUBE-UHFFFAOYSA-N", "SMILES:C=CC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL348107", "category": ["biolink:ChemicalEntity"], "name": "ACRYLAMIDE", "xref": ["InChIKey:HRPVXLWXLXDGHG-UHFFFAOYSA-N", "SMILES:C=CC(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL445612", "category": ["biolink:ChemicalEntity"], "name": "ACRYLONITRILE", "xref": ["InChIKey:NLHHRLWOUZZQLW-UHFFFAOYSA-N", "SMILES:C=CC#N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIPHYBMYOWLBOA-UHFFFAOYSA-N", "SMILES:O=C(CBr)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIVSFJKYGWJWQH-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1nc2ccc(-c3ccccc3OCC)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGPZTQXZPZVKSU-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1nc2ccc(-c3ccccc3OC)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4589373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQPRORGDVPLSI-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)Nc3nc4ccc(Oc5ccnc(C(=O)NC)c5)cc4s3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRLSVQBGBBYEAZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(F)ccc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUOBTTXYGXKPRY-UHFFFAOYSA-N", "SMILES:CC1=NNC(=O)/C1=N/Nc1cccc(-c2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAHNFYUFBODKIH-OQKWZONESA-N", "SMILES:CC(=O)N1N=C(C)/C(=N\\Nc2cccc(-c3nc4ccccc4s3)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZYDVZTTJWWQH-YYADALCUSA-N", "SMILES:CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc(-c2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNNLGQPLZUUWST-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2068831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIBMVJRVJNVTPZ-DEOSSOPVSA-N", "SMILES:CN(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2068832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNEYUXUHXCJNNY-LJAQVGFWSA-N", "SMILES:CN(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(=O)Nc1ccc(-n2cc(CCCF)nn2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1583913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTIFCZVCWLLRH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1403454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYYIGRQBAFQJNP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCCNc2nc3ccc(C)cc3cc2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWICSQKMCMGIS-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCN(c3nc4ccc(C)cc4cc3C#N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSZYPJNFJDXKN-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(N3CCN(C(=O)c4ccccc4F)CC3)c(C#N)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQIYGGGDCZUKEW-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(S(=O)(=O)Nc2ccc(CC)cc2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCLKSBZBBSIDEN-UHFFFAOYSA-N", "SMILES:CCc1ccc(NS(=O)(=O)c2cn(Cc3ccccn3)c3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBMXBWPYNWGTCI-UHFFFAOYSA-N", "SMILES:CCc1ccc(NS(=O)(=O)c2cn(Cc3ccccc3C#N)c3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVGFCIHBTSPJTF-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2sc3ccc(Cl)cc3c2OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYLVGDHKRSNCU-UHFFFAOYSA-N", "SMILES:COc1c(C(=O)NCc2ccccc2Br)sc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBIVQZXNZWQXEV-UHFFFAOYSA-N", "SMILES:COc1c(C(=O)NCc2ccc(F)cc2Cl)sc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHSVPADNGSGMDD-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)c2sc3ccccc3c2OC)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKCVOLHFEVQNTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3ccc(OC)cc3)N(c3cccc(C(F)(F)F)c3)C3N=Cn4cnnc4C23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDISHVECDFAMT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3ccc(OC)cc3)n(-c3cccc(C(F)(F)F)c3)c3ncnc(-n4nc(C)cc4C)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTFBEBGOPMGHZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3ccc(OC)cc3)N(c3cccc(C(F)(F)F)c3)C3N=Cn4nnnc4C23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISLQYWFPBJCGI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3ccc(OC)cc3)n(-c3cccc(C(F)(F)F)c3)c3ncnc(NN)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXZNPUVLCPOOOF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3ccc(OC)cc3)n(-c3cccc(C(F)(F)F)c3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORCUDYLGFGKIX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3ccc(OC)cc3)n(-c3cccc(C(F)(F)F)c3)c3nc[nH]c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYMFCGSTWDIOM-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Nc2ccc(Nc3ncnc4[nH]c(C)c(C)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITIFIIJDFQEHNJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]c(C)c(C)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEYZPUWEIHUHHS-NWILIBCHSA-N", "SMILES:CN(C)CCCOc1ccc(/C=C2\\CC/C(=C\\c3ccccc3C(F)(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZYCBGVBHDTCDM-NCZFFCEISA-N", "SMILES:COc1cc(/C=C2\\CC/C(=C\\c3ccccc3C(F)(F)F)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHCADHKWQWUKKA-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)c1c3c-2ccc2c3c(n1Cc1ccccc1)C(=O)CC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXDSKQZJXAVFZ-XLNRJJMWSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(N4CCOCC4)cc3)c(=O)n2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVQXOZTXHPNLMV-PLRJNAJWSA-N", "SMILES:C=CCOc1ccc(C2C(C(=O)OCC)=C(C)NC3S/C(=C\\c4ccc(N5CCOCC5)cc4)C(=O)N32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTMBVBKXAPRSIS-HKWRFOASSA-N", "SMILES:CCOC(=O)C1=C(C)NC2S/C(=C\\c3ccc(N4CCOCC4)cc3)C(=O)N2C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVNNNYUCIGYPV-UNZYHPAISA-N", "SMILES:O=C1/C(=C/c2ccccc2C(F)(F)F)CCC/C1=C\\c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNQZTNUIPOJBV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)C1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBANCRTXJIGHRY-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(O)(CC(=O)c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSMMJDCSIJNNSR-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccccc2)CC1)Nc1nc(-c2ccc(F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBTZSDFGBFXTO-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1csc2ccccc12)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3193372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGZYMAVQZOPSBA-LUZURFALSA-N", "SMILES:O=C(/C=C/C=C/c1ccccc1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUJDYIDVJKIFK-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGFDRFIZOVHGDL-GQCTYLIASA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPGTIJDQOBHOU-RMKNXTFCSA-N", "SMILES:COC(=O)c1ccc(/C=C/C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYDUWAOQFRHRB-HWKANZROSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLQBEFDDABBVKQ-IZZDOVSWSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTZJJKIQHLSTBH-KPKJPENVSA-N", "SMILES:CCc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYJNQHFBAFKGH-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZGGAFMGIOIQS-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHRROAFPCZRKD-SQMRXINWSA-N", "SMILES:CC/C(C)=N/Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNZASXKBYGHTA-IFIIVODNSA-N", "SMILES:CC/C(C)=N/Oc1ccc(C(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFEBZPOCGLTDQH-MDWZMJQESA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL343277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKFKIMSPUKCGT-LFYBBSHMSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCGFIBKEYROFF-NTEUORMPSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccc(CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL342010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZZPPRDYLSARBF-LFYBBSHMSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL139973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVLSWWNGJQOGJQ-AWNIVKPZSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL138129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLFNMJZPMMPOHK-MDWZMJQESA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIILXUAHZDRSNN-VGOFMYFVSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL138676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQKNFITTYZAZCF-LFYBBSHMSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSGVFFDBSTANJ-LFYBBSHMSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPRZIVGMJVDIO-LFYBBSHMSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHWNXIYADIGFA-LFYBBSHMSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFCJFYFVUYBRC-JSDBNSJWSA-N", "SMILES:COc1cccc(C(=O)/C=C/c2ccc(O/N=C(\\C)c3cccc4ccccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUMYQFAHLUQGK-IHXXIJMMSA-N", "SMILES:C/C(=N\\Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBNAERVUVBMDAZ-KGENOOAVSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(ON=C(c3ccccc3)c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKBJOMKONVJBB-AGTOSCPPSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(O/N=C3\\CCc4ccccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCJZCMIKHIOFL-OVCLIPMQSA-N", "SMILES:O=C(/C=C/c1ccc(ON=C2CCCCC2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBURSNPNWRCRI-DEDYPNTBSA-N", "SMILES:O=C(/C=C/c1ccc(ON=C(c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELDMZBTINAQKC-GJZCOSEASA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc(O/N=C3\\CCc4ccccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKKJSCIHBIHQP-FPHNJLIRSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2ccc(O/N=C(\\C)c3cccs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMDYIVMZKZJNQV-CXUHLZMHSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(ON=C3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRWOGUBTQNJHSD-NAYFDBJDSA-N", "SMILES:COc1ccc(/C=C/C(=N/Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHZMBMZVTSFXLA-YBEGLDIGSA-N", "SMILES:O=C1/C(=C/c2cc3ccccc3[nH]2)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGBKXYMTHUWTI-MFOYZWKCSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1cc3ccccc3[nH]1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMZKAJVDZIRJE-XVNBXDOJSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXCNIQXUZSRMN-XVNBXDOJSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCAONOPVOXJPQZ-MDWZMJQESA-N", "SMILES:O=C1/C(=C/c2cccnc2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTKMKNHQXNEERB-FMIVXFBMSA-N", "SMILES:COc1ccc2c(c1)C/C(=C\\c1ccccn1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOMGEIJNVUHHAL-NTUHNPAUSA-N", "SMILES:COc1ccc2c(c1)C/C(=C\\c1cccnc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEJAVDWNSNDMRX-FMIVXFBMSA-N", "SMILES:COc1ccc2c(c1)C/C(=C\\c1ccc(C)o1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKXUNOFSDTDGU-CSKARUKUSA-N", "SMILES:COc1ccc2c(c1)C/C(=C\\c1ccc(Br)o1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZSALCKQBKNIP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(ccn2-c2cc(=O)c3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLOIZQCBVBUYSH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)cc(-n3cnc4ccccc43)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNKPXXDGHMYSRP-UHFFFAOYSA-N", "SMILES:O=C1CC(n2ccc3ccccc32)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMEANYUHWRSKDX-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1cccc2c1OCO2)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILOCWNYSKAXEPW-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1cccc2c1OCO2)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVMOFYNOAQXHEL-RMKNXTFCSA-N", "SMILES:O=C(/C=C/c1cccc2c1OCO2)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCIEKFXSXQJGY-RMKNXTFCSA-N", "SMILES:O=C(/C=C/c1cccc2c1OCO2)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVWSROYHAVGAA-SOFGYWHQSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCINZSWSDDPKZ-UQQQWYQISA-N", "SMILES:CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\\c1ccc(OCCC3CCCC3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGOKWXKCCVRJO-JCMHNJIXSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\\c1ccc(OCCN(C)C)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDOSARFDQHLXCU-JCMHNJIXSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\\c1ccc(N(CC)CC)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMSHYDGJFXDHLJ-KQWNVCNZSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\\c1ccc(OCCCN(C)C)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZUGUOHWXMKKZ-MOSHPQCFSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\\c1ccc(N(C)C)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUXZGZNINVQMA-UNOMPAQXSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\\c1ccc(OC)cc1)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3416662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWFCWJJWBZPHJ-BWAHOGKJSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\\c1ccc(OCCN3CCCCC3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBPTMUXVNGHSH-HMAPJEAMSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1ccc(OCCC3CCCC3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYJRSQYLLCSWEQ-UNOMPAQXSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1ccc(OCCN(C)C)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVJEGMQKVDJJK-ZSOIEALJSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1ccncc1)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3416647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACJXCXADOJAAW-UNOMPAQXSA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\Oc3cc(OC)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFHLDQDSGMVTH-MOSHPQCFSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1ccc(OCCCN(C)C)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGBDEJXWHUVKT-YVLHZVERSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1ccc(N(C)C)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNLRZAXYLVIPKL-SXGWCWSVSA-N", "SMILES:COc1ccc(/C=C2\\Oc3cc(OC)ccc3C2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3416645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUBSYAHZIJVKZ-JCMHNJIXSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1ccc(OCCN3CCCCC3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227560", "category": ["biolink:ChemicalEntity"], "name": "4-CHLORO CHALCONE", "xref": ["InChIKey:ABGIIXRNMHUKII-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL29845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFGMURBYHPNJK-SDNWHVSQSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1979239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSJUUWPEUQHPJQ-FMIVXFBMSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)CSc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQYQJQFGBXYDD-FMIVXFBMSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLOCYFFTXGLYGZ-GXDHUFHOSA-N", "SMILES:O=C1/C(=C/c2ccccc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLNYKAPMWIHGRD-GXDHUFHOSA-N", "SMILES:O=C1/C(=C/c2ccccc2)CCc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5170103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGBVYCVSWPQDFL-ACCUITESSA-N", "SMILES:O=C1/C(=C/c2ccccc2)CCc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGRSNNZOANAXRB-RVDMUPIBSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOMIXJXOIBRNQ-GXDHUFHOSA-N", "SMILES:Nc1ccc2c(c1)CC/C(=C\\c1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRAEZULKWNOQO-NTCAYCPXSA-N", "SMILES:O=C1/C(=C/c2ccccc2)CCc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQKLNYQHAYAHME-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTNYIPAJGCHFY-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAFUKNLUJCMQGI-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCHDCYRWKAWEF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(-c5ccccc5)cc(=O)c4c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDKHAJYLWSOIK-UHFFFAOYSA-N", "SMILES:O=C(NCc1cnnn1Cc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWICGQRKKZANRZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNZGCPZVFEYFT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCc2cn(Cc3ccc4oc(-c5ccc(Cl)cc5)cc(=O)c4c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYPWVDSGKUZTM-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGUGROSOFRCAF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(-c5ccc(Cl)cc5)cc(=O)c4c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURWCVPYMUJFKE-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REKZGWAJYMMJCO-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVVGJYYVPGRNCM-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHPISEAWDJUFSZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(-c5ccc(Cl)cc5)cc(=O)c4c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRJUCNOPPEHIH-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1cn(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)nn1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGNXBGJGDHMHG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMAUMTKNOZZUEB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCc2cn(Cc3ccc4oc(-c5ccccc5)cc(=O)c4c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXBDMKMLQSIEZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJGUCNAQPUJDO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(-c5ccccc5)cc(=O)c4c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDLMPXRZPYIPZ-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBEXTJQKRUSKPQ-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(Cc2ccc3oc(-c4ccccc4)cc(=O)c3c2)nn1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEQJPTOEPWXNHE-MKMNVTDBSA-N", "SMILES:CCN1CCN(Cc2ccc(/C=C/C(=O)c3ccc(-c4ccc(C(C)C(=O)OC)cc4F)cc3)cc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTFSHMTJGRMPO-VIZOYTHASA-N", "SMILES:COC(=O)C(C)c1ccc(-c2ccc(C(=O)/C=C/c3ccc(CN4CCCCC4)c(O)c3)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYEIJRUJLQMOMG-UUILKARUSA-N", "SMILES:COC(=O)C(C)c1ccc(-c2ccc(C(=O)/C=C/c3ccc(CN4CCOCC4)c(O)c3)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYZMCXGHVXFLH-MKMNVTDBSA-N", "SMILES:COC(=O)C(C)c1ccc(-c2ccc(C(=O)/C=C/c3ccc(CN(C)C)c(O)c3)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZGRKYWUPENLH-WLRTZDKTSA-N", "SMILES:COC(=O)C(C)c1ccc(-c2ccc(C(=O)/C=C/c3ccc(CN4CCN(C)CC4)c(O)c3)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNYGBZEUSHRAQ-LZYBPNLTSA-N", "SMILES:CCN(CC)Cc1ccc(/C=C/C(=O)c2ccc(-c3ccc(C(C)C(=O)OC)cc3F)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMSJEJFCHMXOFC-MKMNVTDBSA-N", "SMILES:COC(=O)C(C)c1ccc(-c2ccc(C(=O)/C=C/c3ccc(CN4CCCC4)c(O)c3)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2237017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCHTZRFUNDXSN-AWNIVKPZSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3393844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONIYXBSQSPCBOF-BQYQJAHWSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccccc2O)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL317221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUGDOWNTXKLQMD-BQYQJAHWSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL494083", "category": ["biolink:ChemicalEntity"], "name": "XANTHOANGELOL", "xref": ["InChIKey:LRSMBOSQWGHYCW-MDGZPELGSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDKYBPGIBVMHHB-KPKJPENVSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(O)c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL476986", "category": ["biolink:ChemicalEntity"], "name": "SAPPANCHALCONE", "xref": ["InChIKey:JVGNTXGHBHMJDO-QHHAFSJGSA-N", "SMILES:COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEYBGLOVHZAAIU-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=O)c(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZSZXDSVFQKLPB-UHFFFAOYSA-N", "SMILES:O=c1oc2c(O)c(O)ccc2cc1-c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHNPMPZJUKIDO-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(=O)oc2cc(OCCCSC(=S)N3C(C)CCCC3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVUXFRALPSJKT-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(=O)oc2cc(OCCCCS(=S)N3CCCCC3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVXBYNCEQOSMU-CMDGGOBGSA-N", "SMILES:COc1cc(OC)c(/C=C/C(=O)c2ccc(Br)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL293718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHYANRTZZNWTR-CMDGGOBGSA-N", "SMILES:COc1cc(OC)c(/C=C/C(=O)c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDXAMQQKSHFVQA-DJKKODMXSA-N", "SMILES:CCOc1ccc([N+](=O)[O-])c(N/N=C/c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMZJSGQYELQNFT-OQLLNIDSSA-N", "SMILES:CCOc1ccc([N+](=O)[O-])c(N/N=C/c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMDXCUDSGQRSPY-NTEUORMPSA-N", "SMILES:CCOc1ccc([N+](=O)[O-])c(N/N=C/c2cccn2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454320", "category": ["biolink:ChemicalEntity"], "name": "TRICIN", "xref": ["InChIKey:HRGUSFBJBOKSML-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSDQFNUYFTXMT-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)oc3cc(O)cc(C)c3c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZWMGOYFVBFCQ-XDJHFCHBSA-N", "SMILES:CN1CCN(c2ccc(/C=N/Nc3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEKYDSVGJEDFH-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCN2CCOCC2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXLHJAZHIGHCJV-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCCN3CCCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1360330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYDITPWFJUVCQQ-RUDMXATFSA-N", "SMILES:O=C(/C=C/c1cccc(F)c1)c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQVHVUMLFHEFW-VMPITWQZSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXAGWCLKWPVFB-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRIFEVENZWILX-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C2=NN(C(N)=S)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBERRIHAQVAYBH-XDHOZWIPSA-N", "SMILES:Cc1c(/N=C/c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2238112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSZNFBWGBNEAU-XDHOZWIPSA-N", "SMILES:Cc1c(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCRATAFXOCAFI-WOJGMQOQSA-N", "SMILES:Cn1cc(/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLVHLAXHIVERS-UHFFFAOYSA-N", "SMILES:C#CCNCc1ccc2c(c1)ncn2-c1cc(NC(=S)NCC)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQJURKOHGCYMX-KAMYIIQDSA-N", "SMILES:O=C1Oc2ccccc2C(=O)/C1=C/NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACLGIOVWKCGSP-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(C(=S)Nc3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQDHFACJRWAFSW-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCC1CCN(Cc3ccccc3F)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOQLYIXHYKVLY-HMMYKYKNSA-N", "SMILES:CC1CCCCN1c1ccc(/C=N/Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHBSAQLONBPIS-OQLLNIDSSA-N", "SMILES:CCOc1ccc([N+](=O)[O-])c(N/N=C/c2ccc(O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPINIMVFLKUQRA-FNXZNAJJSA-N", "SMILES:CCOc1ccc([N+](=O)[O-])c(N/N=C/c2ccco2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYYFVKWGVDSHG-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(Cl)cc2/C1=N\\NC(=O)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCUXXPHNXZCOL-LVZFUZTISA-N", "SMILES:C#CCN1C(=O)/C(=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRRCXOGGDGASN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NOC(c3ccc(Cl)c(Cl)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRRCXOGGDGASN-MRXNPFEDSA-N", "SMILES:Cc1ccc(C2=NO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRRCXOGGDGASN-INIZCTEOSA-N", "SMILES:Cc1ccc(C2=NO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFWHGHJKTZDPF-XSFVSMFZSA-N", "SMILES:C/C(=N\\NC(=O)C1CC(c2ccccc2)=NO1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOZAFLNKRLMSJ-FYJGNVAPSA-N", "SMILES:COc1ccc(/C(C)=N/NC(=O)C2CC(c3ccccc3)=NO2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVVCOYACXARYCQ-UHFFFAOYSA-N", "SMILES:O=C(CSC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL350958", "category": ["biolink:ChemicalEntity"], "name": "APIGENIN DIMETHYLETHER", "xref": ["InChIKey:LZERJKGWTQYMBB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL181276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWRNBWMGFUAMF-ZESMOPTKSA-N", "SMILES:C[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWXXGLPEQMCHLG-HWSSMJTMSA-N", "SMILES:CCO[C@H]1O[C@@H]2CN[C@H]3C[C@H](OC)C=C[C@]32c2cc3c(cc21)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1720510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWAQARRNQVEHD-UQVYVYFOSA-N", "SMILES:CO[C@@H]1C=CC23c4cc5c(cc4CO[C@]2(O)CN(C)[C@H]3C1)OCO5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWXXGLPEQMCHLG-NNPLJAEASA-N", "SMILES:CCO[C@@H]1O[C@@H]2CN[C@H]3C[C@H](OC)C=C[C@]32c2cc3c(cc21)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL400092", "category": ["biolink:ChemicalEntity"], "name": "LYCORINE", "xref": ["InChIKey:XGVJWXAYKUHDOO-DANNLKNASA-N", "SMILES:O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@@H]1O)[C@H]23)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3916492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWAOMPWGIIXDPH-MVWHLILJSA-N", "SMILES:O[C@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL516991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGPRSGKVLATIHT-SPOWBLRKSA-N", "SMILES:CO[C@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATSAIPBKRRCME-AFAVFJNCSA-N", "SMILES:CO[C@H]1C=C[C@@]23CCN(Cc4cc5c(cc42)OCO5)[C@H]3C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5279818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEFJOYLICFFIN-UHFFFAOYSA-N", "SMILES:COc1cc(CCN(C)C)c2c(c1OC)-c1ccccc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSXAUVBDDQZPQ-UHFFFAOYSA-N", "SMILES:CN(C)CCc1cc(O)c(O)c2c1CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2414990", "category": ["biolink:ChemicalEntity"], "name": "(+/-)-NUCIFERINE", "xref": ["InChIKey:ORJVQPIHKOARKV-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1CC3N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2414991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKWSIUDXOQIDR-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(O)c(O)c3c2C1Cc1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSPHBCNXIROUNN-UHFFFAOYSA-N", "SMILES:COC1=CC2CCN(C)C3CC(c4ccccc4)C(=C1OC)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJEFZZSQDFYANV-UHFFFAOYSA-N", "SMILES:CN1CCC2C=C(O)C(O)=C3C(c4ccccc4)CC1C32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMMOLFSGXCWJJ-UHFFFAOYSA-N", "SMILES:C=CCN1CCC2C=C(O)C(O)=C3C(c4ccccc4)CC1C32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYOWUVRHSQYNOA-UHFFFAOYSA-N", "SMILES:Nc1nc(Cc2ccc3cc[nH]c3c2)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBOKQDOBLPJLAR-UHFFFAOYSA-N", "SMILES:Cn1c(N)nc(Cc2ccccc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJAUKNIXRWYHM-UHFFFAOYSA-N", "SMILES:Cn1c(N)nc(Cc2ccc3ccccc3c2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGPUXDRTPIFVPK-UHFFFAOYSA-N", "SMILES:Cn1c(N)nc(Cc2ccc3cc[nH]c3c2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQOCXPOKEPYGTJ-IBGZPJMESA-N", "SMILES:COc1cccc(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5278850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISUVUXCPVDERJ-CYBMUJFWSA-N", "SMILES:CN1C(=O)C[C@@](C)(Cc2ccccc2)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3040557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWIATWAMZSVNNY-HXUWFJFHSA-N", "SMILES:CN1C(=O)C[C@@](C)(CCc2cccc(-c3ccccc3)c2)N=C1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL239857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDFBMQAUECXNKR-OAQYLSRUSA-N", "SMILES:COc1cccc(-c2cccc(CC[C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5286699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHTIBVCQAJAWAI-CIAFOILYSA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYQBPJLVQRDRP-FOKLQQMPSA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/Cc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLHPCAVJZIHTF-WSDLNYQXSA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UARFFOACLFUWNL-LPYMAVHISA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/Cc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMDCXSGYIRJLU-BRJLIKDPSA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMAYMEQRZUWECE-FYJGNVAPSA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUKBMXNPESORAD-UHFFFAOYSA-N", "SMILES:Nc1nc2c(nc(Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQEQLKKOFXNNSC-UHFFFAOYSA-N", "SMILES:Nc1nc2c(nc(Cc3ccc(Br)cc3)n2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWDNXYYTTMDEKK-UDWIEESQSA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFLSVVBDDALGD-CIAFOILYSA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLUZVEZEIQTIOT-RGVLZGJSSA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJPJJPGLGFQNB-RGVLZGJSSA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBWGDYKGAUNROY-BHGWPJFGSA-N", "SMILES:COc1nc(N)nc(Nc2ccccc2)c1/N=C/c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMCLNWXXISCVFD-UHFFFAOYSA-N", "SMILES:Nc1nc2c(nc(-c3ccc(Br)cc3)n2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWDOXNHAPZJSB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3c(=O)[nH]c(N)nc3n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVCWJBIBAFLMR-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2nc3c(=O)[nH]c(N)nc3n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTYFNASDXBFFK-UHFFFAOYSA-N", "SMILES:Nc1nc2c(nc(-c3ccccc3O)n2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJYKZLBMYLXQMM-UHFFFAOYSA-N", "SMILES:Nc1nc2c(nc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGBOKCYMITVAF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(=O)[nH]c(N)nc3n2-c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNXBUVYVPBCESY-WJNSRDFLSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FODYTDYTISQCDH-RDBSUJKOSA-N", "SMILES:Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2nnc(C(F)(F)F)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGBBRIZNIONRT-SFHVURJKSA-N", "SMILES:Cc1ccc(-c2cnccn2)c(C(=O)N2CCC3(CC3)C[C@H]2CNc2cccc(C(F)(F)F)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL584362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZSBHYATWRXOI-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2nc(N3CCOCC3)c3cnn(C4CCNCC4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDOCQQKGPJENHJ-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5cccnc5)CC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMXHGCRIEAKIBU-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLHHRYZMBGPBJG-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFAQYJIYDMLAIM-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYPOAXANMFHMT-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2cccc(C(=O)NC3=NCCS3)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLMVXCGWUJXFNP-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2ccc(Br)c(O)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLYKKIQACFMJG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2132692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROFGZPOBKIAEW-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMILLAWEZJMPE-UHFFFAOYSA-N", "SMILES:CNc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(OC5CCOC5)c4[nH]3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQVKOZLZNWNAHC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGZKKYMEBFZCMM-LREOWRDNSA-N", "SMILES:N#C/C(=C\\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHZCAULQGITDAV-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GADOIZRMOMPBJE-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMFGKDMXCLAFZ-UHFFFAOYSA-N", "SMILES:COC(=O)C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTRHANYPLISGBV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(CN=C=S)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4649260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEYIUTOAQOUAFG-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCESRJVCFUAIBU-UHFFFAOYSA-N", "SMILES:CC(Br)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWXYDYIZYOBEG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(C2CO2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBVDOILFQLAMEJ-UHFFFAOYSA-N", "SMILES:Fc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCAQWPZIMLLEAF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(S)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMIYNXWGBRHKBF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBACTZXZNFJQGT-GHXNOFRVSA-N", "SMILES:N#C/C(=C/c1cccc(-c2ncnc3[nH]ccc23)c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FINFDVANTVWILU-OWOJBTEDSA-N", "SMILES:NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOZCPUVSGROSH-ONEGZZNKSA-N", "SMILES:CCOC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXOSSGVJGGNASE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(N=C=S)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFICVUCVPKKPFF-UHFFFAOYSA-N", "SMILES:C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDFHMUSZQYDMJW-YXSASFKJSA-N", "SMILES:CC(C)(C)OC(=O)N/N=C\\c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMSTGZMZGUIBJ-UHFFFAOYSA-N", "SMILES:CC(Cl)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGGFYWTBPBXSC-UHFFFAOYSA-N", "SMILES:CC(CBr)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFJPDKTAJCUAV-UHFFFAOYSA-N", "SMILES:C#CC(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZINYAZSRZTYPY-OWOJBTEDSA-N", "SMILES:N#C/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAHIBRPXUPUAIF-UHFFFAOYSA-N", "SMILES:C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZKHHAOIHXHOSR-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWLIXZSDPXYDR-UHFFFAOYSA-N", "SMILES:O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFMBRNVTWGVDHP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2ncnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCRJPWRXDWSOW-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(-c2ncnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOOBGGMBNZCDLL-UHFFFAOYSA-N", "SMILES:CC(Br)C(=O)Nc1cccc(-c2ncnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJKTHRIWKTLDH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2ncnc3[nH]ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNXUIUUDGEHSH-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nnc(-c3ccc(C)c(S(C)(=O)=O)c3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTRQNMBFZUYBW-UHFFFAOYSA-N", "SMILES:CC(=O)c1sc2nc3ccc(C)cc3cc2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRJKHUHLPVGTCL-UHFFFAOYSA-N", "SMILES:COC(=O)c1sc2nc3ccc(OC)cc3cc2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKEIBHSLZHAYJF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2c(N)c(C(=O)OC)sc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNFTAQSCIBBHO-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(c1cc2c(C)cc(C)cc2[nH]c1=O)c1nncn1CC1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTOKYUSQCYLSHL-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZOIYZBCDGSHZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(SCC(=O)Nc3cccc(O)c3)n2Cc2ccccc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1374572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMSVEQCBLUBBSP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(Nc3ccc(OCC(N)=O)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGRFWSAHPXCNDD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3c(OC)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRPSMTWDILNTOY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2csc(-c3cc4ccccc4[nH]3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3189044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCDUOXHFNUCKK-UHFFFAOYSA-N", "SMILES:CNC(=S)NC"]}
{"name": "Pendrin", "xref": ["CHEMBL.TARGET:CHEMBL4523483"], "id": "UniProtKB:Q9R155", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIZFBNMFJHPFE-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(C(=O)Nc2ccncc2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"name": "Aquaporin-1", "xref": ["CHEMBL.TARGET:CHEMBL4523210"], "id": "UniProtKB:P29972", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1537920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSCBKQRAURNVKC-UHFFFAOYSA-N", "SMILES:S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2nsnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUVQSBEHWWUGQ-VDSCFQBISA-N", "SMILES:CC(=C\\C(=O)O)/C(=C/c1ccc2ccccc2n1)C(=O)O"], "chembl_natural_product": true}
{"name": "Aquaporin-4", "xref": ["CHEMBL.TARGET:CHEMBL5291512"], "id": "UniProtKB:P47863", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXHXLONRCSGSEY-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL195380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULIGRNKXHCLQN-UHFFFAOYSA-N", "SMILES:Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGVQRJPQIRSOBQ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4c(Cl)cccc34)CC2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHHUZTWGZOEKQ-UHFFFAOYSA-N", "SMILES:CNCC1Cc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWAYPGAGAUFEGZ-UHFFFAOYSA-N", "SMILES:NCC1Cc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYLAEKGVXSXQOG-UHFFFAOYSA-N", "SMILES:CNCC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1906834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSVMEJXHXKMSE-UHFFFAOYSA-N", "SMILES:CN(C)CCOC1(Cc2ccc(F)cc2)CCC(C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1740905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYLFNINCAFXLC-ZBMVRHCNSA-N", "SMILES:CCN1CCC(O)(/C=C/c2ccc(C)cc2)C(C(=O)/C=C/c2ccc(C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSHKYTNQWIZJFW-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1ccc2c(c1)OC(C)(C)C1CC=C(C)CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBFLLZNALVODA-UHFFFAOYSA-N", "SMILES:CCCC(C)(C)c1ccc2c(c1)OC(C)(C)C1CC=C(C)CC21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAOHZUTYXLMNM-UHFFFAOYSA-N", "SMILES:CCCCC(C)(C)c1cc(OC)c(C2C=C(CO)C3CC2C3(C)C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL408430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUHIXXCLLBMBDW-UHFFFAOYSA-N", "SMILES:CN1CCCCC1Cn1cc(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFZRNZSZYDVLI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1338358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNIBIJIBEXSCNO-UHFFFAOYSA-N", "SMILES:CCCn1c(C)c(C(=O)c2ccc3ccccc3c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGJCOJEGLLVSE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccccc2c1)c1cn2c3c(cccc13)OCC2CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPDQFMOOOYJJG-SZYNKQJLSA-N", "SMILES:C[C@]12CCC3c4ccc(O)cc4C[C@@H](CCCCCCCC[C@H](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O)C3C1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKPTROMOIDHJD-LLGNKTCUSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1947110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFOACAKNZNAPH-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(O)cc2c2c1[nH]c1ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBGNLUNAORHQZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYTBEUORVGHEBI-UHFFFAOYSA-N", "SMILES:Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKHTQRJWHHCDP-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCJPCWOSNLXXLG-UHFFFAOYSA-N", "SMILES:Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTSBUYTYJIUAIH-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c2c1CN(Cc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMJRPLZFUQQCS-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(F)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL314285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJNEGOOYXFKMN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(F)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZWZMTTVCPOVAV-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1Cl)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTKBQGOVDOJAE-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(Cc1cccc(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPWDOLVSDDBEM-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)c(Cl)c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSJTLWMFLOWBK-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNPHZVHYQRIIW-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCc3c(c(=O)oc4cc(OC)ccc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APSWOEYPVXOOHK-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAWWLCSYFAOUES-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(CCc1ccccc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRQWWKKYRRTJBN-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccncc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSWRCJHDWFXTML-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(c(=O)oc2c1)CN(c1ccccc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGSHNJJDNQIGCK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(=O)C1CN(CCN3CC4CCC(CC4)C3)CCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZYYRJHPPRLOG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C1CCN(CCN3CC4CCC(CC4)C3)CC1C(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GENXWZABKIXHQZ-UHFFFAOYSA-N", "SMILES:CC(CN1CCC2c3ccccc3OC(=O)C2C1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1164912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCAGTMXIFFGCAD-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(-c2ccccc2)n1-c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADSHCCFJGIUCT-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(Cl)cc2nc(-c2ccccc2)n1-c1nnc(-c2ccccc2C2CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPSXFGYQDQCTFS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(-n3c(-c4ccccc4)nc4cc(Cl)ccc4c3=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYNRNMIXOUFJAP-ZDUSSCGKSA-N", "SMILES:Cn1nccc1-n1c([C@@H]2CSCN2c2ncnc3[nH]cnc23)nc2cccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODXCALFCFKOJLD-AWEZNQCLSA-N", "SMILES:Cn1nccc1-n1c([C@@H]2CSCN2c2ncnc(N)c2C#N)nc2cccc(Cl)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3186763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCAMTBFFNOHDAW-DYTRJAOYSA-N", "SMILES:CN1CCN(C)/C(=N/c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWOQMKRSVYPJK-AWEZNQCLSA-N", "SMILES:N#Cc1c(N)ncnc1N1CSC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNLIEBFODQIJGR-INIZCTEOSA-N", "SMILES:NC[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2F)[nH]1)c1nc(CCO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4547005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYJFGXCMUYKRB-OAHLLOKOSA-N", "SMILES:NC[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)[nH]1)c1ncc(CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVJZGVTUJQAVFI-QNGOZBTKSA-N", "SMILES:O=C(O)/C(=N\\Nc1ncc(-c2ccc(Cl)c(Cl)c2)s1)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKTGXQMSOIQCTJ-HXUWFJFHSA-N", "SMILES:COc1ccc(CCC(=O)N(c2nccc3ccccc23)[C@@H]2CCCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKXSJDZZRUOAK-GOSISDBHSA-N", "SMILES:O=C(c1ccc(-n2nnc3ccccc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4107907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOUQWKNVZZCNT-GOSISDBHSA-N", "SMILES:O=C(c1ccc(-c2cnn3cccnc23)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNCXDHJESZUKOC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(SC#N)c(NC(=O)c2ccco2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXNJFXVMGWHGW-UHFFFAOYSA-N", "SMILES:CC1CCC(C)N1C(=S)SSC(=S)N1C(C)CCC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJJXATNEHBOAAJ-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N1CCSCC1)N1CCSCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWKZFMAEHKGBA-UHFFFAOYSA-N", "SMILES:CC1CCN(C(=S)SSC(=S)N2CCC(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADUGQARJIGMYTO-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccccc1)SSC(=S)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDQQCSOIXMZZQR-UHFFFAOYSA-N", "SMILES:CN(C(=S)SSC(=S)N(C)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLRHCTHRECTLNU-UHFFFAOYSA-N", "SMILES:CN(C(=S)SSC(=S)N(C)C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRAPQIHJGLSCFD-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N1CCN(C2CCCCC2)CC1)N1CCN(C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL569626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVZGRSOBDUIGO-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSZRGMRAQEECZ-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N1CCc2ccccc2C1)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSFPGDOQVCXKB-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFREFOLUDXEJZ-UHFFFAOYSA-N", "SMILES:S=C(SSC(=S)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582931", "category": ["biolink:ChemicalEntity"], "name": "(DIETHYLTHIOCARBAMOYL)METHYLENE DIETHYLCARBAMODITHIOATE", "xref": ["InChIKey:CNCIYWYBJUTHQW-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=S)CSC(=S)N(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKMQLNEANPVFN-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=S)SCSC(=S)N(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBFXAVRUODYQC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=S)SCSC(=S)N2CCNCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2262737", "category": ["biolink:ChemicalEntity"], "name": "(4-CHLOROPHENYL)(MORPHOLINO)METHANONE", "xref": ["InChIKey:BGRFQNTYHMHVFJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWGKIRZQGGERHS-UHFFFAOYSA-N", "SMILES:O=S(=O)(NN1CCOCC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTOWQCPLIJFOU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXMTPZGZXBFQJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccccc2F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZSJXWPPJXGRU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccccc2O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKHSKBKVNAENH-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQUPRQVIQHBPGR-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTRAAMBBLCVLFI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4O)n[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXONIXZPWKJHMW-VIZOYTHASA-N", "SMILES:O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPACBFAEZIPDRT-LSCVHKIXSA-N", "SMILES:CCNC(=S)N/N=C\\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSXVZRIEDXKBM-ISLYRVAYSA-N", "SMILES:Cc1c(/N=N/c2cccc(C(=O)O)c2)c(O)[nH]c(=O)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHYAMQHNYHIPBZ-UHFFFAOYSA-N", "SMILES:O=C(O)CSC1=C(SCC(=O)O)C(=O)C(SCC(=O)O)=C(SCC(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKZUYHQMFKATF-LURJTMIESA-N", "SMILES:COC(=O)[C@H](C)N1Cc2c(O)c(O)c(O)c(C)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBPDHFIJFLEGD-IITWGKNHSA-N", "SMILES:C[C@H]1C(=O)OC([C@@H](O)[C@](C)(O)C2[C@@H](O)CC3C4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)C4CC[C@@]32C)[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL538197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSCBCSGKXNZRH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYRMURRLLYLPU-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccccc2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1949840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEZULVIMJVIFB-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2cccc(F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEYMQEMBMKCNEG-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGWPHCDTOLQQEP-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc[nH]c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5278022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZHXWJCZMLONQ-UHFFFAOYSA-N", "SMILES:Cc1cncc(Cc2cccc(CO)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1901807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBDMODVZBPFQKI-UHFFFAOYSA-N", "SMILES:O=C1COc2cc(O)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4216063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGTSGPCXPIFQEL-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIELNJDAOGTASK-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cnco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDWDKWQAXTCSU-UHFFFAOYSA-N", "SMILES:Cc1cncc(Oc2cccc(N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVBLXLBINTYFPR-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNOVNNUWOUKIOL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(C)=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLDQYRDCPNBPII-UHFFFAOYSA-N", "SMILES:Oc1noc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3769963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFNQFHOEHMLCV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(C)n(C3CCCCC3)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2396674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBOZBMARIQZGX-GRRGFIRHSA-N", "SMILES:CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519266", "category": ["biolink:ChemicalEntity"], "name": "RHYNCHOPHYLLINE", "xref": ["InChIKey:DAXYUDFNWXHGBE-KAXDATADSA-N", "SMILES:CC[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUZRNQYRVJZURX-OQXPWLBDSA-N", "SMILES:C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2CC1/C(=C\\C(=O)OC)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKHKBZKHGJXDZ-UKWJTHFESA-N", "SMILES:COc1c(O)cc([C@H]2Oc3c(c(O)cc(O)c3[C@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)C[C@@H]2O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5276750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXBFTWSGJHVMLE-IEBWSBKVSA-N", "SMILES:CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(CO3)N=C(N)C[C@H]2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75094", "category": ["biolink:ChemicalEntity"], "name": "PRINOMASTAT", "xref": ["InChIKey:YKPYIPVDTNNYCN-INIZCTEOSA-N", "SMILES:CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO"], "synonym": ["Prinomastat", "Prinomastat", "Prinomastat", "AG-3340", "AG3340", "KB-R-9896", "Prinomastat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEDKFNMSFNCII-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(NC(=O)Cc1ccc(Br)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DACARRUBIAXSBX-IBGZPJMESA-N", "SMILES:Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261932", "category": ["biolink:ChemicalEntity"], "name": "TANOMASTAT", "xref": ["InChIKey:JXAGDPXECXQWBC-LJQANCHMSA-N", "SMILES:O=C(C[C@H](CSc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1"], "synonym": ["Tanomastat", "BAY 12-9566", "BAY 12-9566 N", "BAY-12-9566", "BAY-129566", "Tanomastat"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2063274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDPJKYOQXMDIX-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CS1)c1ccc(Oc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEHSRERHOYOHOA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWKQAHPQICDHI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGULWCWMDMKUSF-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWKCGOUEJMBBRA-NNBQYGFHSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOSQVEAJBXFZJM-JSJVQHDDSA-N", "SMILES:COCCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4782984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZUCWWQSRNAKQ-JSJVQHDDSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4789502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCFPILZBUROGFF-WFVGHVPHSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCC4CCCCC4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCXDBCRBHXXAD-WFVGHVPHSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCc4ccccc4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXPKEBNMDSAJA-SUNMMQDUSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCc4cccc(C)c4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWZDYWPUMSMAC-SUNMMQDUSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCc4ccccc4C)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSEBMVMQTTVFOL-SAQIBKBSSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(C)=O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSAWTXYHNIRLIJ-VZTVURHLSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)CCC)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNVNOSBCYEAQT-BDFBTMKGSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)c6ccc(Br)cc6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVGGNCFYSSWGEF-BDFBTMKGSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)c6ccc(F)cc6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIHVEGNRMBQOSM-FFFHLZBFSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)C=C)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCAPVKRRRPGVMZ-AIIXQKBASA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)/C=C/C)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXROZZZMZFECEO-CLLSBXPGSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)/C=C/c6ccccc6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICPQRCXHWIYKZ-KRRNQDAPSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)/C=C/c6ccccc6F)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPUISSWFXVCOFB-OROOYELTSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)/C=C/c6cccc(Cl)c6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMMHRLUNOQJPP-ZTTGVEBKSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)/C=C/c6cccc(C)c6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNFQXMVNDKIOMN-VZTVURHLSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)C(=C)C)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOYLYHFMSWXNDH-BZRRHBBESA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N(CC)CC)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAWPVXVZLJYJJ-VZTVURHLSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N(C)CC)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXJVFFYCNKJWQP-YIKDIYPBSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N(c6ccccc6)c6ccccc6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLOTAPZUOMULW-YIKDIYPBSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6c7ccccc7Sc7ccccc76)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEHBMJRAYJNFH-FFFHLZBFSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N(C)C)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGNBJUFJFIYHSW-VZHCALMGSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6CCC(N7CCCCC7)CC6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVKBBQWOLOLFH-BNOJDONBSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6c7ccccc7CCc7ccccc76)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSQSNAFGDRVESS-DKAJQEPCSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6CCCCC6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUARANHZULVSHC-BZRRHBBESA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6CCCC6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYURRWEWRRVFN-BNOJDONBSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6c7ccccc7C=Cc7ccccc76)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWHRBGLNPUJLLO-DKAJQEPCSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6CCN(C)CC6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUFNGMLXUECHB-BDFBTMKGSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N(CCC)CCC)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQGGMLCWDENQG-BZRRHBBESA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N(C)CCC)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPNBYCWPIGXON-DKAJQEPCSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N(C)CCCC)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYFUQGVNGXQBON-DZOSJAHZSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N(CCCC)CCCC)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBRASLFPOLYPO-VZHCALMGSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6CCN(c7ccccc7)CC6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZAOINPJCSYMJ-VZHCALMGSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6CCN(c7ccc(Cl)cc7)CC6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOXMODKKUOXQM-VZHCALMGSA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6CCN(c7ccccc7Cl)CC6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVXRSWKLJSRGSY-DBNCYVEASA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6CCN(c7cccc(OC)c7)CC6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOZZDAVFZAIGGI-DBNCYVEASA-N", "SMILES:C#CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(=O)N6CCN(c7ccccc7OC)CC6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRYFRMGXALPQJ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1nc(-c2ccccc2)cs1)C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEZLUIWVUKMPH-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCN1CCC(N(C)Cc2ccccc2)C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUJLOMPMOEZNY-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)Nc1cccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJSCQELSCOUOHC-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)Nc1cccc(N2CCN(Cc3cn(-c4ccccc4F)nn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSICVXWKBSOIG-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)Nc1cccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPMCELBSXFHKX-UHFFFAOYSA-N", "SMILES:Oc1cccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYIODXYMHNJTDW-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBLUJDZECBUHNJ-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2C12CCN(CCc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMILMKVCCKUOKN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN(C)C21CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXSXVBYEBIWOP-UHFFFAOYSA-N", "SMILES:CN1CC2(CCN(CCc3ccccc3)CC2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGNLFUDGHYJIKZ-UHFFFAOYSA-N", "SMILES:CCN1CC2(CCN(CCc3ccccc3)CC2)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBXGOCDVLAVMA-UHFFFAOYSA-N", "SMILES:CN(CCOC(c1cccs1)c1ccnn1C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBAPPVYDNMDAG-UHFFFAOYSA-N", "SMILES:CN(CCOC(c1cccs1)c1ccnn1C)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOTAUKMMTMZZBN-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)C1(N2CCN(Cc3ccccc3)CC2)CCOC2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLTMZEOBDISWQE-UHFFFAOYSA-N", "SMILES:O=C(c1ccccn1)C1(N2CCN(Cc3ccccc3)CC2)CCOC2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCTOGNGLOSXOBN-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)n1)C1(N2CCN(Cc3ccccc3)CC2)CCOC2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJIBERZCXXHOY-UHFFFAOYSA-N", "SMILES:CCOCCN1CCCCC(CC)(c2cccc(O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL287794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWOVBVYUUUDWEQ-URZJWIJPSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL289948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLDTUYECWDWIE-MQNAVGNWSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJHTYUYGIQFIJ-BUHFOSPRSA-N", "SMILES:O=C1NN(c2cccc(Br)c2)C(=O)/C1=C1/C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKCOYYSPCQGKNT-QCDXTXTGSA-N", "SMILES:Cc1ccc(N2NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARGIPZKQJGFSGQ-LCYFTJDESA-N", "SMILES:CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRZBFPQWBHQIX-VTNSRFBWSA-N", "SMILES:C/C(=N\\OCc1ccc(C(=O)O)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIHOSYXAHRTWNP-MHDJOFBISA-N", "SMILES:C/C(=N\\OCc1ccc(C(=O)O)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNAAVQVJCXDKHM-KPGMTVGESA-N", "SMILES:C/C(=N\\OCc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGHVCHIVICMJSW-MHDJOFBISA-N", "SMILES:C/C(=N\\OCc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGFQANWFXEKQG-ROPCREHHSA-N", "SMILES:C/C(=N\\OCc1cncc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNNXPGWZBCVBE-XAZZYMPDSA-N", "SMILES:C/C(=N\\OCc1ccc(C(=O)O)o1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZJHDHROFABIRQ-MHDJOFBISA-N", "SMILES:C/C(=N\\OCc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZNNTWFFBUOZBK-ODQASSKESA-N", "SMILES:C/C(=N\\OCc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNDWRNSYJFENG-MHDJOFBISA-N", "SMILES:C/C(=N\\OCc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTIAQQYVWABUFP-QNVXDBMFSA-N", "SMILES:C/C(=N\\OCc1cc(C(=O)O)ccc1C#N)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZHPOAFRJIBDHC-VTNSRFBWSA-N", "SMILES:C/C(=N\\OCc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAVIVTUNLPXRBN-AMVVHIIESA-N", "SMILES:C/C(=N\\OCc1ccc(C(=O)O)o1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLJIJSVLMVMVSK-MHDJOFBISA-N", "SMILES:C/C(=N\\OCc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBBROGAUTOGILS-KVAAJVFYSA-N", "SMILES:C/C(=N\\OCc1cc(C)cc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJEXPFOQZWMJCM-MHDJOFBISA-N", "SMILES:C/C(=N\\OCc1ccccc1C(=O)O)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQFODTAWDWYSJJ-QNVXDBMFSA-N", "SMILES:C/C(=N\\OCc1cncc(C(=O)O)c1)c1ccc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZQIISVFIHGQA-IZYHBKOJSA-N", "SMILES:C/C(=N\\OCc1cc(C)cc(C(=O)O)c1)c1ccc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTZJXHFTKROMNH-XJECJHNESA-N", "SMILES:C/C(=N\\OCc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXSYXPPLLMMFNN-QNVXDBMFSA-N", "SMILES:C/C(=N\\OCc1cncc(C(=O)O)c1)c1ccc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDLTDAOKRAFHA-IZYHBKOJSA-N", "SMILES:C/C(=N\\OCc1cc(C)cc(C(=O)O)c1)c1ccc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRXMQKNNPPNQNJ-ZSNJKBEMSA-N", "SMILES:C/C(=N\\OCc1cc(C)cc(C(=O)O)c1)c1ccc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLKJVGSSUVPLE-MWBNBJEGSA-N", "SMILES:C/C(=N\\OCc1cncc(C(=O)O)c1)c1ccc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUHXSJODBAHRF-YSYOEVFLSA-N", "SMILES:C/C(=N\\OCc1cc(C(=O)O)ccc1C#N)c1ccc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDBRWUOIZRFUCX-RQRWGXNHSA-N", "SMILES:COc1cc(/C(C)=N/OCc2cc(C(=O)O)ccc2C#N)ccc1OCc1c(-c2ccccc2OC(F)(F)F)noc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMFGEFMXMBEIK-SAEPALGJSA-N", "SMILES:C/C(=N\\OCc1cc(C(=O)O)ccc1C#N)c1ccc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSSHFJUFMLIMK-YSYOEVFLSA-N", "SMILES:C/C(=N\\OCc1cc(C(=O)O)ccc1C#N)c1ccc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSVRKBMWLQHRE-ODNPBWNPSA-N", "SMILES:COc1cc(/C(C)=N/OCc2cc(C)cc(C(=O)O)c2)ccc1OCc1c(-c2ccccc2OC(F)(F)F)noc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL453066", "category": ["biolink:ChemicalEntity"], "name": "BETA-CCM", "xref": ["InChIKey:UKHFPVCOXBJPIN-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(cn1)[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVQYJROBZMEGI-FHQWGVRCSA-N", "SMILES:COc1cccc2c1C(=O)N1CCc3c([nH]c4cccc(OC)c34)[C@@H]1C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGCPAFIELNTPI-PZJWPPBQSA-N", "SMILES:CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOKINRKWPYVMSZ-LADGPHEKSA-N", "SMILES:O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)N2C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVELXRPQMVXDDP-UHFFFAOYSA-N", "SMILES:CN1CCc2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRGMFZDBUGVXOG-OOWIMERYSA-N", "SMILES:O=C(Cc1cnc(N2CCC(CN3CC(=O)N4[C@H](c5ccc6c(c5)OCO6)c5[nH]c6ccccc6c5C[C@@H]4C3=O)CC2)nc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNOXAVJMUDFKCL-ATIYNZHBSA-N", "SMILES:O=C(CCCCCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSRBUZAVLBYDQ-XBXARRHUSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNRFULMEKPACO-VQHVLOKHSA-N", "SMILES:CC1c2[nH]c3ccccc3c2CCN1C(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATVOODFYCPCNM-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCCCCCN3CCc4c([nH]c5ccccc45)C3)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSPKQMIFJHYGU-FLFQWRMESA-N", "SMILES:O=C(CCCCN1CCc2c([nH]c3ccccc23)C1)Oc1ccc(/C=C2/CCc3nc4ccccc4c(=O)n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL609728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKZUPMCBVURANR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCCCN)c([N+](=O)[O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL12543", "category": ["biolink:ChemicalEntity"], "name": "METHYLPYRROLIDONE", "xref": ["InChIKey:SECXISVLQFMRJM-UHFFFAOYSA-N", "SMILES:CN1CCCC1=O"], "synonym": ["1-methylpyrrolidone", "Methylpyrrolidone", "Methyl pyrrolidone", "Methylpyrrolidone", "N-methyl pyrrolidinone", "N-methyl-pyrrolidone", "NSC-4594", "Methylpyrrolidone", "N-methylpyrrolidone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1828978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKGLYHLBGWKHL-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)CN(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYUGWPUYNNZOZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C(C)c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3220863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQZYUCMXNLZQAF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQHPHGZWSTYMIQ-SFHVURJKSA-N", "SMILES:COc1ccc(CCc2nc3ccc(-c4c(C)noc4C)cc3n2C[C@H](C)N2CCOCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARRIRSSRPAIPR-MRXNPFEDSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(n1)c(-c1ccc(C(=O)O)cc1)cn2[C@H](C)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQIZLCCTAYQZIS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2CC2CCN(C(=O)CO)CC2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWPHTTCCKYRBNP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2CC2CCN(C(=O)CO)CC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCGFAINVZBANLP-UHFFFAOYSA-N", "SMILES:COCC(COC)Cn1c(-c2cc(C)c(=O)n(C)c2)nc2cc(N3CCOCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSARXBXZVYWAD-UHFFFAOYSA-N", "SMILES:Cn1cc2c(cc1=O)C(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYEMNJMSULGQRD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJZEYRKRPKMHK-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(C)c2cc(N3CCCCC3=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAMDACATRBMFOJ-UHFFFAOYSA-N", "SMILES:CC(=O)CCCCn1c2c(c3ccccc31)C(=O)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTJQPAASNHXPGP-UHFFFAOYSA-N", "SMILES:NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OACFJJZQWRYAJI-UHFFFAOYSA-N", "SMILES:CCC1=C(C)NC2=C(C#N)C(C)=CC2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXQDOMDCRLSVPT-QFIPXVFZSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1cccc(CN[C@H]2CCN(Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDPNQSDLTBROFQ-UHFFFAOYSA-N", "SMILES:Nc1nc2c(O)cc(Br)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBIAWCGMOCBGF-UHFFFAOYSA-N", "SMILES:CC1CN1c1cc(O)c2nc(N)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1876546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXIRHDQUVVQLGI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)NCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYYNAJVZFGKDEQ-UHFFFAOYSA-N", "SMILES:Cc1ccnc(C)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHSYLADQLXDPH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(-c3c(-c4c(C)cc(CN)cc4C)ncn3C)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWZULJZXADJJPI-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(C2CCNCC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSJCXUONRHOYTD-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccccc2)c1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5205374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKGAVKOOOYGIY-UHFFFAOYSA-N", "SMILES:Clc1ccc(OCCCNC2=NCCN2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5175404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGJIKXLESXIHK-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cccc(CNC2=NCCN2)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDAMWMOTTUWVPR-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNDNOVPWCJVUIB-GOSISDBHSA-N", "SMILES:CC(=O)NC1CCN(CC[C@@H](C)c2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUEMGEDLUPAPDM-VSJLXWSYSA-N", "SMILES:C[C@H](CCN1CCC(NC(=O)CC(=O)NC2CCN(CC[C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)CC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWJGMLAITUBSV-FZNHDDJXSA-N", "SMILES:C[C@H](CCN1CCC(NC(=O)CCCC(=O)NC2CCN(CC[C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)CC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZINIJZZYINIPH-LJEWAXOPSA-N", "SMILES:C[C@H](CCN1CCC(NC(=O)CCCCCC(=O)NC2CCN(CC[C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)CC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFURFABQXKRIEA-XPSQVAKYSA-N", "SMILES:C[C@H](CCN1CCC(NC(=O)COCCOCC(=O)NC2CCN(CC[C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)CC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOLOSDPNSYVHND-RDTHBMROSA-N", "SMILES:C[C@H](CCN1CCC(NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC2CCN(CC[C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)CC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRONWHTRUVSJT-XPSQVAKYSA-N", "SMILES:C[C@H](CCN1CCC(NC(=O)c2ccccc2C(=O)NC2CCN(CC[C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)CC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMLGIELSRWXEGU-WJOKGBTCSA-N", "SMILES:C[C@H](CCN1CCC(NC(=O)COCCOCCOCCOCCNC(=O)c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3621972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQAKTZCQPXMQT-GOSISDBHSA-N", "SMILES:C[C@H](CCN1CCCCC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWZNLMHXPMLIN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)CC(=O)Nc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVEINJPJYHDHBR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)CC(=O)Nc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHJWWGHDYQWNHG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)CC(=O)Nc1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPKAYPVJABRGS-JTQLQIEISA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)N[C@H]1CCOC1=O"]}
{"name": "Transcriptional activator protein LuxR", "xref": ["CHEMBL.TARGET:CHEMBL5867"], "id": "UniProtKB:P35327", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:312309"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMJUHEKUNKCNGB-JTQLQIEISA-N", "SMILES:O=C(Cc1ccc(I)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTHUPUWKQRCLF-JTQLQIEISA-N", "SMILES:O=C(Cc1ccccc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRIAMXCZWQOQQD-INIZCTEOSA-N", "SMILES:O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPQMBQCQQDGGJ-JTQLQIEISA-N", "SMILES:O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUPQZKFASASZOC-JTQLQIEISA-N", "SMILES:O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRYOXRMDHALAFL-QMMMGPOBSA-N", "SMILES:CCCC(=O)CC(=O)N[C@H]1CCOC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5289392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZPXEYMNNPGEL-XQRVVYSFSA-N", "SMILES:CC1=C(Br)/C(=C(\\C)Br)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOAIJIBGXCVXAN-PYJQOMOHSA-N", "SMILES:O=C(CNc1ccc(C(=O)/C=C/c2ccc(Br)cc2F)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFJDBMHSBALKII-HKMNZKMDSA-N", "SMILES:O=C(CNc1ccc(C(=O)/C=C/c2ccccc2Br)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUFXMFLPPXXZPJ-IZHJOOQXSA-N", "SMILES:O=C(CNc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVMKXMKMZIZQX-IZHJOOQXSA-N", "SMILES:O=C(CNc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQOXKGGUBGAMK-IZHJOOQXSA-N", "SMILES:O=C(CNc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOZWWBQXZKEQL-YMRVXXMPSA-N", "SMILES:O=C(CNc1ccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXZBBSXWYLIHJM-QUZHSLKNSA-N", "SMILES:O=C(CNc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWALYVZWJRSMCV-HKMNZKMDSA-N", "SMILES:O=C(CNc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWZFHHIDDWLUEC-GSXXRBPTSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2ccc(NCC(=O)N[C@H]3CCOC3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUXSTRYZCLMFC-QKIXSCASSA-N", "SMILES:O=C(CNc1ccc(C(=O)/C=C/c2ccccc2)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMRHGBMGNFGPQ-VIFPVBQESA-N", "SMILES:CC(C)CCCC(=O)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHRFLVZFHISCCX-QMMMGPOBSA-N", "SMILES:O=C(CC1CCC1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTSTYTLNRMJEFY-ZETCQYMHSA-N", "SMILES:CCCCC(=O)N[C@H]1CCSC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOMWVNAYFIBSPG-XVNBXDOJSA-N", "SMILES:CN(C)c1ccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZVLBSHJGSXFL-VMPITWQZSA-N", "SMILES:Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)cc(-c3nnc(N)s3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDXHNZKIIFDOG-JXMROGBWSA-N", "SMILES:COc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(C)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORYTMWENRBSQT-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(Cl)c(C3CC(c4ccc(C)cc4)=NN3c3nc(-c4ccc(F)cc4)cs3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJAMNFPUYJZFR-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(Cl)c(C3CC(c4ccc(C)cc4)=NN3c3nc(C)c(C(=O)Nc4ccccc4)s3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHMICDOYSFGBAB-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHMTHGUPSMFMQ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCRLASBTYTZCKB-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHJHSSOHYXDLN-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1Oc1ccc(N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTOMPHYWSORPF-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5c(F)cc(F)cc5F)CC4)cc3)c2cc1Oc1ccc(N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWCBEOAFGHNNU-BNEYPBHNSA-N", "SMILES:[2H]c1ccc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C)c5)nn34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFKQSJNCVRGFCC-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTZLBHRTBXNAGH-UHFFFAOYSA-N", "SMILES:CCCOc1cc2nccc(Oc3ccc(NC(=O)C(F)(c4ccc(N)cc4)c4nnc(-c5ccccc5)o4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUGPVOOXGNRNOA-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccccc4OC(F)(F)F)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLEWGGZPOQNVSU-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFFDUINWKEBCZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3F)ccnc2cc1OCCCN1CCCC(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOMBFNDWQIGHEK-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NS(=O)(=O)c4c(F)cccc4F)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBGMJMVKCVJQM-DIRHWPBNSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N/N=C(\\C=C\\c3ccc(Cl)cc3)c3ccc(N)cc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFQNYXPRYSZHX-APXUDOOHSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)N/N=C(\\C=C\\c3ccc(Cl)cc3)c3ccc(N)cc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQAMAZGLIDGOS-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2cccc(N(C)S(=O)(=O)CCCNCCCC(=O)N3CCN(c4ccc(Nc5c(C(N)=O)cnc6ccc(-c7cnc8ccccc8c7)cc56)cc4C(F)(F)F)CC3)c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZIEIHPROHCFW-UHFFFAOYSA-N", "SMILES:Cl.NC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATIQFDFVZAKPBH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nnc(-c3cc(-c4ccc(Br)cc4)nc4ccccc34)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWVTVFRUDISWIX-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(Br)cc3)cc(-c3nnc(Nc4ccc([N+](=O)[O-])cc4)o3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNAQPVPGUVZAF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Nc2cc(C)nc3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKDQMVWTDBOGBF-UHFFFAOYSA-N", "SMILES:CCN(CCNC(=O)Nc1ccc(C(C)(C)C)cc1)c1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQAMCIQIADSXEU-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(Nc3cc(Nc4ccc5nc(C)cc(N)c5c4)ncn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJRGTUYXWURQS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc3nc(C)cc(N)c3c2)nc(NCCCCCCNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGSRYBLIZYFGG-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cnc3c(C(=O)O)ccc(C(=O)O)c3c2)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPNMNMRUJRVZCT-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1cc(O)nc2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTDPVVOWALYPNN-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)Nc3nc4ccccc4s3)cc(O)nc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYNRVDBDSOTDD-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(O)cc(C(=O)Nc3nc4ccccc4s3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWEYAKFNJVARCT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(C(=O)Nc3nc4ccccc4s3)cc(O)nc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUAPSCAYNILCS-OPEKNORGSA-N", "SMILES:COc1ccc2ccc(F)c(CC(=O)N/N=C/c3cccc(C(F)(F)F)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMGTTRDNUKZMT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYAESWMSWJXFH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGPHEULPIIPRO-UHFFFAOYSA-N", "SMILES:CC(=O)OCCOc1cc(Oc2ccc3c(c2)COB3O)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSLTXWXZNBJIP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc3c(c2)COB3O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1093373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNKUCPVXWTAAI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Oc2ccc3c(c2)COB3O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECUZGKZZDAYHR-UHFFFAOYSA-N", "SMILES:CCCOc1nc(-c2cncc(C3COB(O)C3)c2)c(F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOHDKAZGAIKFQP-UHFFFAOYSA-N", "SMILES:CCOc1nc(-c2cncc(C3COB(O)C3)c2)c(F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBADOWKZXSXFPE-UHFFFAOYSA-N", "SMILES:CCCOc1cc(-c2nc(C3COB(O)C3)ns2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNKMYWFWQTEHE-XKZIYDEJSA-N", "SMILES:O=C1S/C(=C\\c2ccc(OCc3cccc(B(O)O)c3)cc2)C(=O)N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWUZCBSWABPMR-XKZIYDEJSA-N", "SMILES:O=C1S/C(=C\\c2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLOVNYRWXRUJLX-XKZIYDEJSA-N", "SMILES:O=C1S/C(=C\\c2cccc(OCc3ccc(B(O)O)cc3)c2)C(=O)N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLJEDZZDOOZJQ-XKZIYDEJSA-N", "SMILES:O=C1S/C(=C\\c2cccc(OCc3cccc(B(O)O)c3)c2)C(=O)N1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSLBTZOOODZEW-OEAKJJBVSA-N", "SMILES:CN1C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\\c1ccc(OCc2ccc(B(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSLBTZOOODZEW-UCQKPKSFSA-N", "SMILES:CN1C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(B(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSGZTQWZIBOTMJ-LCYFTJDESA-N", "SMILES:CN1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFUUVSWPFTAGY-UNOMPAQXSA-N", "SMILES:O=C1N=C(N2CCN(Cc3ccc(C(=O)O)cc3)CC2)S/C1=C\\c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4540122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKGWOBAJNWRNC-UNOMPAQXSA-N", "SMILES:O=C1N=C(N2CCN(Cc3cccc(B(O)O)c3)CC2)S/C1=C\\c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSAPYVMRXXTWPF-UHFFFAOYSA-N", "SMILES:O=C(OCc1cc(Cl)cc(Cl)c1)N1CCN(C2CN(C(=O)c3ccc4c(c3)B(O)OC4)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRONDDAHUBCYBW-YFKPBYRVSA-N", "SMILES:N[C@@H](CCCCS(N)(=O)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSDLHWPNIOWYHJ-LURJTMIESA-N", "SMILES:N[C@@H](CCCCC=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL111050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUQLUIFNNFIIKC-UHFFFAOYSA-N", "SMILES:NC(CCCCC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1230498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMSAJWJHQUHKSX-YFKPBYRVSA-N", "SMILES:N[C@@H](CCCC[N+](=O)[O-])C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL298071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFIVJOSXJDORSP-UHFFFAOYSA-N", "SMILES:NC(Cc1ccc(B(O)O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHKTUVCRZTDBK-FYTLMZHYSA-N", "SMILES:N[C@@H](CC/C=C/B(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJCNFQNUKLFMMR-UHFFFAOYSA-N", "SMILES:CC(N)(CCCCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIYCLWKKKPVZJC-UHFFFAOYSA-N", "SMILES:NC(CCCCB(O)O)(C(=O)O)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL539140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGWFDHLFMBIDS-XBXARRHUSA-N", "SMILES:OB(O)/C=C/Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZUWUXKQPRWAL-NOLJZWGESA-N", "SMILES:NCCN[C@H]1CC[C@H](CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2078876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONPIFGGWNMOKY-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3nn(CC4CCN(C)CC4)c4ncnc(N)c34)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVKTUICDKSUYDI-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(CNc2cnc3nc(N)nc(N)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTFNSCZLJLPEO-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL218291", "category": ["biolink:ChemicalEntity"], "name": "FORODESINE", "xref": ["InChIKey:IWKXDMQDITUYRK-KUBHLMPHSA-N", "SMILES:O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12"], "synonym": ["Forodesine", "Forodesina", "Forodesine", "Forodesine", "Immucillin h", "Mundesine", "BCX-1777", "NSC-717904", "Fodosine", "Forodesine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5282677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUQPFUDMPPWDM-GISOBZBCSA-N", "SMILES:O=c1[nH]cnc2cc(C[C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVVSIWCKPPLIN-ZUKDAGLKSA-N", "SMILES:C[C@H]1N[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCMSAHNRSZNML-IZJRFANQSA-N", "SMILES:NC(=O)[C@H]1N[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMKHFYMUIAURNQ-KUBHLMPHSA-N", "SMILES:O=c1[nH]cnc2c([C@@H]3N[C@H](CF)[C@@H](O)[C@H]3O)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJNJWSOKKIBFCE-PRJMDXOYSA-N", "SMILES:O=c1[nH]cnc2c([C@H]3C[C@H](O)[C@@H](CO)N3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKWZWIJIPBBRGH-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)c1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPREAHXCMZVOO-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)Nc2ccc(C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCCOOHSGGEWFC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nc(C)c(C(C)C)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNTUZSSRVIQHP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(Nc3cc(C)cc(C)c3)c(C#N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTTWTWCUBPVDLM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(Nc3cc(C)cc(C)c3)c(C#N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPPIRJAXBBVKS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2ncc(-c3ccc(Cl)cc3)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIGNHEWPTLMCLW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(-c3ccccc3)cc2C#N)cc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYBDGAJTVFCEW-UHFFFAOYSA-N", "SMILES:CCCc1nc(Nc2cc(C)cc(C)c2)c(C#N)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJGHSSGXPDAOK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nc(C)c(-c3ccccc3)cc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEHSRBZMXAGIS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(-c3ccccc3)cc2C#N)nc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMUGWYACGNXER-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncc(-c3ccccc3)cc2C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBYINMLHJYJON-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(-c3ccccc3)cc2C#N)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUNFVPUPPXEABL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccccc2)cnc1Nc1cc(C2CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUBRVSBZCSXUPV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccnc(Nc2ncc(-c3ccccc3)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUNTUXACFBFEOT-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccccc2)cnc1Nc1ccc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRJNHCDJXMMDP-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)ccnc1Nc1cc(CO)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYBJPYDRCQXNOL-UHFFFAOYSA-N", "SMILES:COc1ccnc(Nc2nccc(-c3ccccc3)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIJVTFQQCPFROU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc(Nc3cc(C)cc(C)c3)c(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWUNRPLQQVMSZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2ncc(-c3ccncc3)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAQGMRDWYNVMKU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2ncc(-c3cccnc3)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQFABMXEUBSHW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2ncc(-c3ccccc3)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URWIGUFUZOCONO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Cc2ncc(-c3ccccc3)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFIIISMLRLRZAX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2ncc(-c3ccccc3)nc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKGQPWLGDCRLT-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(-c3ccccc3)nc2C#N)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRIHZWMSMMDMGE-UHFFFAOYSA-N", "SMILES:Cc1cc(N)cc(Nc2nc3ccccc3cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFSEKXEJNUCJD-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nc3ncccc3cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQRPNVZLRSNJI-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)ccnc1Nc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHTIZTJUILGBKV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nc(C)c(-c3ccccc3)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPXLRFJJEZFTJN-UHFFFAOYSA-N", "SMILES:Cc1ccnc(Nc2ncc(-c3ccccc3)cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYKDAVVSOXQIR-PCVQOFHFSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1n1cc(COC(=O)C[C@H](O)C[C@H](O)CCn2c(-c3ccc(F)cc3)c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2C(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFAUETWOLWBNIF-BCPCFIRFSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCn2cc(CNC(=O)C[C@H](O)C[C@H](O)CCn3c(-c4ccc(F)cc4)c(-c4ccccc4)c(C(=O)Nc4ccccc4)c3C(C)C)nn2)O[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFJTOZJGPHZGL-PCVQOFHFSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1n1cc(CNC(=O)C[C@H](O)C[C@H](O)CCn2c(-c3ccc(F)cc3)c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2C(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHUPTVYTFFSTF-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(CC(C)C)c2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGRMCSLYKQZQLA-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(S(=O)(=O)N(CC(C)C)c3cccc(C(=O)O)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTEWDWARCIBIPB-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(O)c(C(=O)O)c1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLHXALODXJWDE-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(O)c(C(=O)O)c1)S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRLVLIOGDKSJS-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(O)c(C(=O)O)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDQXTZYQIUQHH-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(S(=O)(=O)N(CC(C)C)c3ccc(O)c(C(=O)O)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTLMSUDWYXCII-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLDOUWXQZNOXQC-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(S(=O)(=O)N(CC(C)C)c3ccc(C(=O)O)cc3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLZHCSMFAJSQM-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAKXUFGSJOPLIW-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESPQVXZLMHYFH-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWOQFIBLEMEUJW-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKYHKSRRKGJMV-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHQKXOJVVPPJN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(CC(C)C)c2ccc(C(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHTQTAIFWLPTNR-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTMZVIXXJPSIKG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(S(=O)(=O)N(CC(C)C)c3ccc(C(=O)O)c(O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOHXNPQCCFZNS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2ccc(S(=O)(=O)N(CC(C)C)c3ccc(C(=O)O)c(O)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOPZXYIZAARHX-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOXGDSIGCZKCK-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(S(=O)(=O)N(CC(C)C)c3ccc(C(=O)O)c(O)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNCDDPHSXBDHZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N(C2CCCC2)S(=O)(=O)c2ccc3ccccc3c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUGKRZYOHBNPAU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N(C2CCCC2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNSPAUQLEFAAPR-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(S(=O)(=O)N(c3ccc(C(=O)O)c(O)c3)C3CCCC3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIGWPOXLUWDBM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUSYUJVUSOWKKS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHWCKPSUVMUWFL-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(S(=O)(=O)N(Cc3ccccc3)c3ccc(C(=O)O)c(O)c3)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTBVCLNAXBEKCA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUAQWLMQHUJRLB-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1cccc(C(=O)O)c1)S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQCMYHCMAKVGY-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(S(=O)(=O)N3CC(C(=O)O)Cc4ccccc43)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLSOYSLAVZLOS-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(S(=O)(=O)N3CCCc4cc(C(=O)O)ccc43)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYDHAMNOJTJSL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4c(-c5ccccc5)noc4C)cn3C)cn2C)cn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRMOGJUANGHNMW-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2[nH]c3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINAZFCDSOAAHB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2[nH]c3ccccc3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBDRSBZVRRBXMY-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(O)(c3ccc(F)cc3)c3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWWWJBRBILYRPV-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(O)(c3ccc(Cl)cc3)c3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSDLWUPWJZXSR-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(O)(c3ccc(Br)cc3)c3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVENKAKJTNJPKT-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(O)(c3cccnc3)c3ccc(Cl)cc3Cl)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKYYSKTNQEXJQ-UHFFFAOYSA-N", "SMILES:CC#CCOc1ccc2cc(C(O)(c3ccc(F)cc3)c3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSELVLWOAHFVSR-UHFFFAOYSA-N", "SMILES:CC#CCOc1ccc2cc(C(O)(c3ccc(Cl)cc3)c3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWXDDIEDPOAKI-UHFFFAOYSA-N", "SMILES:CC#CCOc1ccc2cc(C(O)(c3ccc(Br)cc3)c3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXWSPKABIMFHCS-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc2cc(C(O)(c3ccc(F)cc3)c3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONMITJWGNMEBT-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc2cc(C(O)(c3ccc(Cl)cc3)c3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBUQWAZHCOCQJN-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc2cc(C(O)(c3ccc(Br)cc3)c3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFDHYNBOBMQRN-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFRCHFUSIBRANY-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGACXKYSIZSKP-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccc(Cl)cc2Cl)n(-c2ccc(C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJGRSYHARDEJM-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBKOQNMLSBJJOJ-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQNVAJVIMKVEL-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRWRKVXHSVHIS-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccccc2Cl)n(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNERNTBUVMBRAK-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUAPEPLGNWXJD-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccccc2Cl)n(-c2ccc(C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTOKSRKHFURSAU-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccccc2F)n(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWFGUHVZRIHPIM-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccccc2F)n(-c2ccc(Cl)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHXZWVPTOVBKA-UHFFFAOYSA-N", "SMILES:CNCc1cc(-c2ccccc2F)n(-c2ccc(C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL321077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWZIODCWLMCMMW-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(C)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORLJJLRXNPEAO-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=CC(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPXUTNBNQQJGBQ-UHFFFAOYSA-N", "SMILES:O=C(CN=C=S)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWALABJLJRYGAC-UHFFFAOYSA-N", "SMILES:O=C(NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)C(F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFZFJZVLPZWBQH-UHFFFAOYSA-N", "SMILES:O=C(CCl)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBLBBVYSXUHSSN-UHFFFAOYSA-N", "SMILES:C#CC(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNDNHEABYBHGJH-UHFFFAOYSA-N", "SMILES:C=C(Br)C(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZCQZOSAGKWFG-UHFFFAOYSA-N", "SMILES:C=C(C(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHUXPMYJOLFHS-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVAFBIDQKXDQK-NSCUHMNNSA-N", "SMILES:C/C=C/C(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBGMRSGPCQVPS-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNNXSIPWWGDAC-UHFFFAOYSA-N", "SMILES:CC(=O)C(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"name": "Protein-glutamine gamma-glutamyltransferase K", "xref": ["CHEMBL.TARGET:CHEMBL2810"], "id": "UniProtKB:P22735", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein-glutamine gamma-glutamyltransferase 6", "xref": ["CHEMBL.TARGET:CHEMBL2079852"], "id": "UniProtKB:O95932", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein-glutamine gamma-glutamyltransferase E", "xref": ["CHEMBL.TARGET:CHEMBL3363"], "id": "UniProtKB:Q08188", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBEXVAZPPYBPSR-OZEXFWQTSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=Cc3nnnn3[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQKAEOABWRKCI-VPUMZWJWSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3Cc3nnnn3[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPUGDDOEDCGJP-DMMBONCOSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3Cc3nnnn3[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXGITVRMXSNYMY-WNXUKHPPSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)CCc1cn(CCN2CCCc3cc(/C=C/C4=C(Br)C(/C=C/c5cc6c7c(c5)CCCN7CCC6)=[O+][B-](F)(C(F)(F)F)O4)ccc32)nn1)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBOXDXMZWFWRD-YLQIXAEUSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cn(CCN2CCCc3cc(/C=C/C4=C(Br)C(/C=C/c5cc6c7c(c5)CCCN7CCC6)=[O+][B-](F)(C(F)(F)F)O4)ccc32)nn1)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEUWOOAZREWRY-KSDUPCJASA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](Cc1cn(CCN2CCCc3cc(/C=C/C4=C(Br)C(/C=C/c5cc6c7c(c5)CCCN7CCC6)=[O+][B-](F)(C(F)(F)F)O4)ccc32)nn1)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKDCJQFOKUIULG-KSDUPCJASA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1cn(CCN2CCCc3cc(/C=C/C4=C(Br)C(/C=C/c5cc6c7c(c5)CCCN7CCC6)=[O+][B-](F)(C(F)(F)F)O4)ccc32)nn1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLKKXJWTTXULV-TYAYIRQJSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1cn(CCN2CCCc3cc(/C=C/C4=C(Br)C(/C=C/c5cc6c7c(c5)CCCN7CCC6)=[O+][B-](F)(C(F)(F)F)O4)ccc32)nn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPKBXHZLWZQBY-IEQJOXPMSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)[C@H](C)CC)C1CCCCC1)[C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGGPMVOPJOJOOJ-OZGUNAFCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(c1ccccc1)c1ccccc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1cn(CCN2CCCc3cc(/C=C/C4=C(Br)C(/C=C/c5cc6c7c(c5)CCCN7CCC6)=[O+][B-](F)(C(F)(F)F)O4)ccc32)nn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXRMYHCWMSBVKB-CQTOTRCISA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccc3ccccc23)C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSMJJBWHHVSMEL-LJAQVGFWSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJEZCODLODFRQJ-WEZIJMHWSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJEZCODLODFRQJ-CQTOTRCISA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOEKUVGKOXRGLK-HVNZXBJASA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1C)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOEKUVGKOXRGLK-NEEKEDPPSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1C)C(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWXUPJBQAPNAKJ-BCRBLDSWSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1C)C(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRREHSILPLFDL-NGQVCNFZSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSNCLRMVTDKWMT-ZPGRZCPFSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNFQGFWVDQHQD-NGQVCNFZSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1Br)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUXAPNMYZRJKB-ZPGRZCPFSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1Br)C(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPNEAUMVKDBMO-QCDSWUKFSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1OC)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXQMUDIRJATPT-NGQVCNFZSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1F)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIZBPGCLBSIOF-JHOBJCJYSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccc(F)cc1F)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXHFWWRRACWFY-ZPGRZCPFSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXHFWWRRACWFY-MPQUPPDSSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXRMYHCWMSBVKB-WEZIJMHWSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cccc3ccccc23)C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJAGJUKRBNEDR-LJAQVGFWSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)CNC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSDKVKVTQRPPF-QCDSWUKFSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSDKVKVTQRPPF-RNAHPLFWSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBQIHLQHPDVJV-LQDNDQQYSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cccc3ccccc23)C(C)CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONDWZKGQCUICRL-LQJZCPKCSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONDWZKGQCUICRL-JHOUSYSJSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNFQGFWVDQHQD-HLADLETHSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1Br)C(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWXUPJBQAPNAKJ-PQQNNWGCSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1C)C(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRREHSILPLFDL-HLADLETHSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSNCLRMVTDKWMT-MPQUPPDSSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUXAPNMYZRJKB-MPQUPPDSSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1Br)C(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEIOVURFVBNEHU-WZSKGTPGSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYXSLQZSAMKUGF-QMYDRCRESA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHEQPKZPDVNYHE-UDHLFMDSSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRCUKAMVIATJX-UHFFFAOYSA-N", "SMILES:COc1cc2ccc(-c3nc(C)ccc3-c3cnn(CC4(F)CCCC4)c3)cc2nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKRIOHZMPWCKX-MOBVNWGTSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USCABJRKNKEWAR-HXZHMABRSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQNQERXFGPNSD-ZOOWYRFPSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIXLTRXSJVNSB-RZGVDQIZSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLFRIVBDVPSDCT-CZRSVNQGSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDRDNZQEHZCEMH-PFBDATDESA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFICQONJUZATKZ-OVQKSSPKSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRBCKBQBDDLAN-ZOOWYRFPSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOPYJNNRRTWAS-RGDWKZLVSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1CCCCC1)N(C)C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXRCAJMTHSUMP-DMRUZIJISA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUAMSWDJYWZHMY-CZRSVNQGSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1CCCCC1)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASKACUUUNFXIND-QSEYIEQOSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(CO)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZMMPDHUWWITO-CEQXEPLDSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@]12C[C@H]1[C@H](CO)[C@@H](O)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPAUXMIDJWGFO-ROMFRFKVSA-N", "SMILES:C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOZKRKUVKAXOEP-RRKCRQDMSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCWNDBGIAHMESJ-MOEZTCPLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@]2(COP(=O)(O)O)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZAPVATXARRGAZ-GLTNYXDESA-N", "SMILES:Nc1ncnc2c1ncn2[C@]12C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMVWLEUONAKGCD-QRMHULIRSA-N", "SMILES:CNc1nc(I)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@]2(COP(=O)(O)O)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJDVSMBTIILRAJ-MQQHENMLSA-N", "SMILES:CSc1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@]4(COP(=O)(O)OP(=O)(O)O)C[C@H]34)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNXKCIKBOSKRG-WBAPNQQASA-N", "SMILES:CO/N=c1\\ccn([C@]23C[C@H]2[C@@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXVNWUDHLNBZRB-GLTNYXDESA-N", "SMILES:Nc1ncnc2c1ncn2[C@]12C[C@H](O)[C@@H](CO)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDYOCPKYJVOMS-MOEZTCPLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@]2(CO)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQBJBAUFOIPDS-SHDVWELFSA-N", "SMILES:O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@]3(CO)C[C@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOGXFHNYQVRCAK-FZCXUOGJSA-N", "SMILES:OC[C@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWANAKRSKQRVSS-WRQNOASSSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHYVDDJDDMRKD-MAUXMWESSA-N", "SMILES:CCOC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYRELOSSRTWHH-YJJXXQEKSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYIKQBQGZCLFPP-UHFFFAOYSA-N", "SMILES:O=C(CCn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O)NC1CCCCC1"]}
{"name": "Immunoglobulin superfamily member 11", "xref": ["CHEMBL.TARGET:CHEMBL5291534"], "id": "UniProtKB:Q5DX21", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOBENSCBRZVSP-TYQACLPBSA-N", "SMILES:C[C@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc([C@@H](N)CO)no1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFJDTYSQBHCNGC-LWZURRPWSA-N", "SMILES:CC1=C(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL468568", "category": ["biolink:ChemicalEntity"], "name": "VANILLOLOSIDE", "xref": ["InChIKey:SIMPNXWTAVEOTO-RKQHYHRCSA-N", "SMILES:COc1cc(CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5275040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYNPVYOZBYRJK-HXBYHMEXSA-N", "SMILES:COc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc(CCCO)cc2OC)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5282473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFITTLTJVKKMN-UXXRCYHCSA-N", "SMILES:OC[C@H]1O[C@@H](OCCn2cnc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFITTLTJVKKMN-GZBLMMOJSA-N", "SMILES:OC[C@H]1O[C@@H](OCCn2cnc3ccccc32)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAXQDBZLUSJNH-CDJZJNNCSA-N", "SMILES:OC[C@H]1O[C@@H](OCCN2CN(Cc3ccccc3)c3ccccc32)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAXQDBZLUSJNH-QMCAAQAGSA-N", "SMILES:OC[C@H]1O[C@@H](OCCN2CN(Cc3ccccc3)c3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMGZJOOLYDJVIL-TWHDSSIESA-N", "SMILES:O=c1c2ccccc2n(CCCCCCn2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNZZNYZBBSJAV-KRZJEZTLSA-N", "SMILES:COc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCCn1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMGZJOOLYDJVIL-FWZZJMFBSA-N", "SMILES:O=c1c2ccccc2n(CCCCCCn2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNZZNYZBBSJAV-IJEKCQKQSA-N", "SMILES:COc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCCn1cc(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNQHIOZVZHTROC-MIRJVGOZSA-N", "SMILES:O=c1c2ccccc2n(CCCCCCn2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNQYDVYRQMOADR-YULOIDQLSA-N", "SMILES:COc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCCn1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTMWILFWIUXSG-JIMJEQGWSA-N", "SMILES:O=c1c2ccccc2n(CCCCCCn2cc(CO[C@H]3C[C@H](O)[C@@H](CO)O3)nn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCVZSDIZYSANN-OYUWMTPXSA-N", "SMILES:COc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCCn1cc(CO[C@H]2C[C@H](O)[C@@H](CO)O2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWZGMYYPNYJGP-FSNIXKBVSA-N", "SMILES:CC(=O)Nc1nc(Cl)c2ncn(C3O[C@H]4[C@H](OC(=O)[C@@H]4O)[C@H]3OC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHLOMLWLJTKJR-FXAYSOHNSA-N", "SMILES:CC(=O)Nc1nc(Cl)c2ncn(C3O[C@H](CC(=O)NCc4ccccc4)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQLTFYXQDADEM-KDCJCDJKSA-N", "SMILES:CC(=O)Nc1nc(NCc2ccccc2)c2ncn(C3O[C@H](CC(=O)NCc4ccccc4)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HANCFCAXNVIAQF-PJUURBACSA-N", "SMILES:CC(=O)Nc1nc(Cl)c2c(ncn2C2O[C@H](C(=O)NCc3ccccc3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGZWVZNAZXBRV-PJUURBACSA-N", "SMILES:CC(=O)Nc1nc(Cl)c2ncn(C3O[C@H](C(=O)NCc4ccccc4)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRLROJLCFUSGMC-OFEZXSGGSA-N", "SMILES:CC(=O)Nc1nc(Cl)c2c(ncn2C2O[C@H](C(=O)O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXOGFJVXRRVQM-OFEZXSGGSA-N", "SMILES:CC(=O)Nc1nc(Cl)c2ncn(C3O[C@H](C(=O)O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEBFGFUGBBODAH-RQUCMIRESA-N", "SMILES:CC(=O)Nc1nc(Cl)c2c(ncn2[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNOQZZDUKXNYMN-YLUTUWDDSA-N", "SMILES:CO[C@H]1O[C@H](Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLFGFWJIGOPNOT-WNEBWYHHSA-N", "SMILES:CO[C@H]1O[C@H](Cn2cnc3c(Cl)nc(NC(C)=O)nc32)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHWYVEGZGDWAPK-WADMREBESA-N", "SMILES:COC1O[C@H](Cn2ccc(=O)n(C[C@H]3O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]3O)c2=O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNKGNAZAHIKQSR-HEQCZZEQSA-N", "SMILES:COC1O[C@H](Cn2ccc(=O)n(C[C@H]3O[C@H](OC)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)c2=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALEMHUDGLHNWAP-FRRKWONNSA-N", "SMILES:CCCCCCCCCCCCNC(=O)[C@@H](OCc1ccccc1)[C@H]1OC(n2cc(-c3ccccc3)nn2)[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEIKGBWGSUFAC-AUSZYXGQSA-N", "SMILES:CC(=O)O[C@H]1C(NS(C)(=O)=O)O[C@H](Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MILQZLWYQLCFAQ-FVRGGSDBSA-N", "SMILES:CCCCCCCCCCCCNC(=O)[C@@H](OCc1ccccc1)[C@H]1O[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEHUNGPVNKOMDO-NBXDISJVSA-N", "SMILES:CCCCCCCCCCCCNC(=O)[C@@H](OCc1ccccc1)[C@H]1O[C@@H](n2cc(-c3ccccc3)nn2)[C@H](OC(C)=O)[C@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEHUNGPVNKOMDO-LVRDHISESA-N", "SMILES:CCCCCCCCCCCCNC(=O)[C@@H](OCc1ccccc1)[C@H]1O[C@H](n2cc(-c3ccccc3)nn2)[C@H](OC(C)=O)[C@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULRHCYOCEJDOSG-BHTKNAKBSA-N", "SMILES:CCCCCCCCO[C@H]1[C@H](OC(C)=O)[C@@H](Cn2c(=O)c3c(ncn3C)n(C)c2=O)OC(OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRJXVTSYMYMQPA-AIIQAFEASA-N", "SMILES:COC1O[C@H](Cn2ccc(=O)[nH]c2=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUQSOKTVPVWLIL-SKTPTLSNSA-N", "SMILES:CCCCCCCCO[C@H]1[C@H](OC(C)=O)[C@@H](Cn2c(=O)c3c(ncn3C)n(C)c2=O)OC(NS(C)(=O)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRSNKAPKGHQQO-GMQQQROESA-N", "SMILES:COc1ccc(CCOCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSJHLHLKSOZKJ-XRULBBBTSA-N", "SMILES:COc1cc(CCOCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWJGSABCCVGGV-HRQSHJORSA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNODKYGSZPQCMM-XWPNQZOQSA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VODYWRFVVQVYTG-KCPYNUOSSA-N", "SMILES:CC1(C)O[C@H]2O[C@H](CNCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)[C@H](O)[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORDNJPNOIOTPN-FXSWLTOZSA-N", "SMILES:CC1(C)O[C@H]2O[C@H](NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)[C@H](O)[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDIBXLSDOAFGQH-KKAKYAENSA-N", "SMILES:CC1(C)O[C@H]2O[C@H](CNCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)[C@H](O)[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHLHCOHMQNAMGW-RRFVUZEHSA-N", "SMILES:CC1(C)O[C@H]2O[C@H](CNCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)[C@H](O)[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYIWCOZWLUTAQH-GEIIOTBESA-N", "SMILES:CC1(C)O[C@H]2O[C@H](CNCCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)[C@H](O)[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQDYDWLHFFFFGT-PYYPWFDZSA-N", "SMILES:CO[C@@H]1O[C@H](CNCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)[C@H]2OC(C)(C)O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJMQDZDMPZPFLW-PMFUCWTESA-N", "SMILES:CO[C@@H]1O[C@H](CNCCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)[C@H]2OC(C)(C)O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSKZCKNKXPVOFG-YGMVDIOKSA-N", "SMILES:CC1(C)O[C@H]2[C@@H](O1)[C@@H](CNCCCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O[C@@H]1OC(C)(C)O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBTWFXYKFFDRF-MYOWWLDYSA-N", "SMILES:CC1(C)O[C@H]2[C@@H](O1)[C@@H](CNCCCCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O[C@@H]1OC(C)(C)O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKXINFBJWDTSK-UHFFFAOYSA-N", "SMILES:Cl.Cl.c1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNFVQZQJEGUHLW-QGKZMRNZSA-N", "SMILES:C#CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O"]}
{"name": "C-type lectin domain family 4 member K", "xref": ["CHEMBL.TARGET:CHEMBL2176853"], "id": "UniProtKB:Q9UJ71", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNRGFBYDYRWAQ-GRIKEPGJSA-N", "SMILES:C#CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(=O)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHJVWAQBNLCAQ-OFPNECHXSA-N", "SMILES:C#CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(=O)CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989750", "category": ["biolink:ChemicalEntity"], "name": "GLUCOSAMINE SULFATE", "xref": ["InChIKey:CVCQAQVBOPNTFI-AAONGDSNSA-N", "SMILES:N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=S(=O)(O)O"], "synonym": ["Glucosamine sulf", "Glucosamine sulfate salt", "Faximin", "Glucosamine sulfate", "Tiocondramina", "Dolenio", "Dona", "Glusartel"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYQAAWHSDBFCF-WRQOLXDDSA-N", "SMILES:CC(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBRRFKZDYFHFNS-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cn2c(n1)SCC2)c1cnc2sccn2c1=O"]}
{"name": "C-type lectin domain family 4 member K", "xref": ["CHEMBL.TARGET:CHEMBL5291547"], "id": "UniProtKB:Q8VBX4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKAIIXBWPMUPD-JSHBUCSXSA-N", "SMILES:NC[C@@]1(O)C(O)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3121700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOBVPDDHLOAJGJ-JYVQCWHTSA-N", "SMILES:[N-]=[N+]=NCCO[C@H]1C[C@H](C(=O)NCc2ccc(CO)cc2)[C@@H](C(=O)NCc2ccc(CO)cc2)C[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNKBELKRIPWGHL-JYVQCWHTSA-N", "SMILES:[N-]=[N+]=NCCO[C@H]1C[C@H](C(=O)NCc2ccc(CO)cc2)[C@@H](C(=O)NCc2ccc(CO)cc2)C[C@@H]1O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYGZQFCUFRSCML-RWSQSUCKSA-N", "SMILES:NCc1cn([C@@H]2[C@@H](O[C@H]3C[C@H](C(=O)NCc4ccc(CO)cc4)[C@@H](C(=O)NCc4ccc(CO)cc4)C[C@@H]3OCCCl)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFAZBHVUZVKKN-ICLLYECISA-N", "SMILES:NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H](O)[C@H]1SCCCCSCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBOZFUQJDYASD-LPHOMBEVSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5274423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLTCKBWZMPOMBQ-METYLVLHSA-N", "SMILES:COC(=O)[C@H]1C[C@H](O)[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXPHUTJDXVFANJ-HFEOQFHKSA-N", "SMILES:C[C@@H]1O[C@@H](NC(=O)[C@H]2CCCC[C@H]2NC(=O)c2cc(O)cc(O)c2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1503347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPCUFXXVXPRLTI-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)NC(=O)C(CSCc2ccccc2C)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULEYIVLSSUOOQP-MOSHPQCFSA-N", "SMILES:CC(C)OC(=O)c1ccc(-c2ccc(/C=C3\\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLHQWVIBOBNIY-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(nc1N1CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTWUQESYHAXXJO-UHFFFAOYSA-N", "SMILES:CC1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN(c2nc3c(cc2C#N)C(=O)OC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMPNYKEHCRGIV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CS(=O)(=O)NC(=O)C2(C)CCN(c3nc4c(cc3C#N)C(=O)OC4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLJJBXZIVNGFNU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Cc2nc(N3CCC(C(=O)NS(=O)(=O)Cc4ccccc4)CC3)c(C#N)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJGQSFXIYQUKU-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(nc1N1CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPBNUKCSINRURA-UHFFFAOYSA-N", "SMILES:CC(C)=CCC1=C(O)c2c(occ(-c3ccc(O[N+](=O)[O-])cc3)c2=O)C2C=CC(C)(C)OC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANITBPSGWTQEB-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)CC=C(c1ccc3c(c1)OCCO3)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQOOLSTEZSWGB-DGPOMROESA-K", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)[O-])C(C)C.CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)[O-].O.O.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJIQFLQIRKWDZ-AKVUPKOTSA-N", "SMILES:COc1ccc(C[C@@H](CC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)CC(CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWRMRRVRHGMRBA-YAQBETDZSA-N", "SMILES:CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1nccs1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REHPQBGJMYPSQY-UHFFFAOYSA-N", "SMILES:C1CCCOCCOCCNCCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPQMDMNGSVDNRE-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(Oc3ccnc(-c4nncn4CCCN4CCN(C)CC4)c3)c(F)c2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBHZKGQKWFKEPZ-DAFNUICNSA-N", "SMILES:COc1cc2c(Oc3ccc(N/C=C4\\C(=O)N(c5ccccc5C(F)(F)F)N=C4C)cc3F)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCBRLWWEHAZCY-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)CC(C#N)C#N)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRZBWFJAYJYUJM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(C#N)c(N)o2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZVIDHGILXEHT-FYJGNVAPSA-N", "SMILES:Cc1cccc(C)c1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDGLDERDAXTHBD-JJIBRWJFSA-N", "SMILES:Cc1c(/N=C/c2ccc(OCCCN(C)C)cc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUWGGSPJUQION-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2[nH][nH]c(=O)c2-c2cn(C)c3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLWNURLBTVRFAA-UHFFFAOYSA-N", "SMILES:Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(=S)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDPSVOXBVXJAE-UHFFFAOYSA-N", "SMILES:O=C1CC(Nc2ccccc2NC(=S)NC2CCCCC2)=NN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXZCYBEONCORL-UHFFFAOYSA-N", "SMILES:CCCCNc1nc2ccccc2n1C1=NN=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHNWYITXUYHPTH-ZHZULCJRSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C/C(=N/Nc3ccccc3C(=O)O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLMYGKIBYSFSH-ZHZULCJRSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C/C(=N/Nc3ccc(C(=O)O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKXNSIRUQIHKZ-MOSHPQCFSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C2/C=NN(c3ccccc3C(=O)O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGVGHPGBVVYBV-UHFFFAOYSA-N", "SMILES:Cc1[nH]n(-c2ccccc2)c(=O)c1CNc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWLPLACBMBIRRJ-MHWRWJLKSA-N", "SMILES:NC(=S)N1N=C(N)/C(=C\\c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGXGDGPVKCURF-UHFFFAOYSA-N", "SMILES:Cc1c(-c2nocc2SC#N)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZJHFPZMQHROFC-UHFFFAOYSA-N", "SMILES:Cc1c(-c2csc(Cl)n2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNNZACIBKLUGB-DXSJNJSVSA-N", "SMILES:Cc1ccc(C2=NN(c3ccccc3)C(=O)C23N=C([S@@+](C)[O-])N(C(=O)OC(C)(C)C)[C@]32C(=O)N(Cc3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJASRIPIAOCWFU-TYQACLPBSA-N", "SMILES:C[C@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)C(=O)NNC(=O)[C@@H](N)CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJKTVOPJBTSNZ-LKXGYXEUSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJKTVOPJBTSNZ-LENIQADQSA-N", "SMILES:C[C@H](O)[C@@H](N)C(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)N[C@H](CO)C(=O)O"]}
{"name": "Programmed cell death 1 ligand 2", "xref": ["CHEMBL.TARGET:CHEMBL4523499"], "id": "UniProtKB:Q9WUL5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCWPQHLVPFODON-BGPOSVGRSA-N", "SMILES:O=C1/C(=C/c2cccc(F)c2)CNC/C1=C\\c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4067901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJBCJBKRICXJOC-IWGRKNQJSA-N", "SMILES:CCC(=O)Oc1ccc(/C=C2\\CC/C(=C\\c3ccc(OC(=O)CC)c(OC)c3)C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKIYIUTIFSDNY-JFMUQQRKSA-N", "SMILES:COc1cc(/C=C2\\CC/C(=C\\c3ccc(OC(=O)C(C)C)c(OC)c3)C2=O)ccc1OC(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMWFHLHWOOWYAP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4cc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMVTYAYYHHSTF-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5cccc(OC)c5F)ccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDEZCHXBGZHBFD-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5cccc(OC)c5)ccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQYKWLJKSDBAFM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(-c2cc(C(=O)Nc3cccc(N4CCN(C)CC4)c3)c3cn[nH]c3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAOODBJHVRASOU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cn(CCF)cn1)n1ncc2ncc(-c3cn[nH]c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQDHIZYBGKTVSB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3cnn(S(=O)(=O)c4ccccc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYZYRAIZGRFIY-HMMYKYKNSA-N", "SMILES:CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccc(NC(=O)/C(C#N)=C/C(C)(C)N)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2088096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHXGQTWGFVXTB-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)n[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWOSBURNHCMME-ULQDDVLXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LARVRBUOAJXJKI-CQDKDKBSSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](C)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIJMJQCUUNJCN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2CCCCC2)cc1)c1nc(-c2ccccc2)oc1Cc1ccc(OP(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUEVMWXZKGBDPT-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)c1nc(-c2cccc3ccccc23)oc1Cc1ccc(OP(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3696067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQGWSJTSFBUOM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2CCCCC2)cc1)c1nc(-c2cccc3ccccc23)oc1Cc1ccc(OP(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDFMYXCTOVSNCY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)c2ccc(C(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJKGLKUCCOIDET-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHVLOLBPSDJQFN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccc(C(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYBBBBGACUMKKU-CSJNAZMVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSAWUQKNZJUNW-PMACEKPBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVZBBATVMKDKE-XMHGGMMESA-N", "SMILES:O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMGRAMZRMRRMH-UHFFFAOYSA-N", "SMILES:COc1cc(C(Nc2ccccn2)c2cc3c(cc2O)OCO3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQMPLOJYUUDDU-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C1=NNC(c2ccccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPSKXMWERBHKIH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C1=NNC(c2cccnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKUMHXJUBAXSB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C1=NNC(c2ccncc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHZICSNUIOVNS-UHFFFAOYSA-N", "SMILES:F[B-]1(F)Nc2ccccc2C2=[N+]1NC(c1ccccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZUGLWONBRDDDU-UHFFFAOYSA-N", "SMILES:F[B-]1(F)Nc2ccccc2C2=[N+]1NC(c1cccnc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYVAQQLDYTHCL-GMTBNIFVSA-N", "SMILES:C=C(C)C(CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL517832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMUPAAIHKAIUSU-CEISFSOZSA-N", "SMILES:C=C(C)C(CCC(C)(C)O)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1O)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL498879", "category": ["biolink:ChemicalEntity"], "name": "NICOTIFLOROSIDE", "xref": ["InChIKey:RTATXGUCZHCSNG-QHWHWDPRSA-N", "SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL477832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZSQWQPBWRIAQ-HUUCEWRRSA-N", "SMILES:CC(C)=CCC[C@@](C)(O)[C@@H]1CC=C(C)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448500", "category": ["biolink:ChemicalEntity"], "name": "PHENYLETHYL ALCOHOL", "xref": ["InChIKey:WRMNZCZEMHIOCP-UHFFFAOYSA-N", "SMILES:OCCc1ccccc1"], "synonym": ["Phenethyl alcohol", ".beta.-(hydroxyethyl)benzene", "Phenethanol", "Phenylethanol", "Phenylethyl alcohol", "FEMA NO. 2858", "NSC-406252", "Phenylethyl alcohol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1084450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCXXPBBHPICRU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)c1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBHKWXUSQTVIBN-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2cc(N3CCN(C(=O)OCc4ccccc4)CC3)c([N+](=O)[O-])cc2-c2c1cnn2-c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1733963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPAQLESUVYGUJZ-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)c1cccc(-c2ccc3nnc(C)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1472575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRXLMUYFMERMJ-UHFFFAOYSA-N", "SMILES:c1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1314668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJMABCFVYELBB-GJYPPUQNSA-N", "SMILES:CCOc1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451197", "category": ["biolink:ChemicalEntity"], "name": "OXIDOPAMINE HYDROCHLORIDE", "xref": ["InChIKey:QLMRJHFAGVFUAC-UHFFFAOYSA-N", "SMILES:Cl.NCCc1cc(O)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1885327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMSRTLYZOWBBFW-UHFFFAOYSA-N", "SMILES:CC(NS(=O)(=O)c1ccc2nc(O)c(O)nc2c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYXFVCFISTUSOO-NKYJHZBASA-N", "SMILES:CC(C)=CCC[C@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKPXFJHPNYMGT-SHXTUMPTSA-N", "SMILES:CC(=O)O[C@@H]1CC2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]2(C)[C@]2(C)C(=O)C=CC12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTERVLHXMOVKJM-GPZAUBFCSA-N", "SMILES:CO[C@@H]1CC(=O)[C@]2(C)C1[C@H](OC(C)=O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTERVLHXMOVKJM-OKRFFIPOSA-N", "SMILES:CO[C@H]1CC(=O)[C@]2(C)C1[C@H](OC(C)=O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5289783", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKHFYORNAYYOTM-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)C(c2cc(Cl)ccc2Cl)=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQMKKDYJAKJVRO-UHFFFAOYSA-N", "SMILES:CCCCCCN(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)c1ccc(O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBFLRQECZIPPY-UHFFFAOYSA-N", "SMILES:O=C(CCn1cnc2sc3c(c2c1=O)CCCCC3)Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3897372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGZWHKYFVTWNMF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)nn3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095064", "category": ["biolink:ChemicalEntity"], "name": "FENIRALSTAT", "xref": ["InChIKey:ZRUFVDPYHLTYPD-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F"], "synonym": ["Feniralstat", "Feniralstat", "Feniralstat", "Feniralstat", "Kvd824", "KVD-824", "KVD824", "Feniralstat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCIXIQRCAGGOJY-AJQTZOPKSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSGBVMOYYGWZOY-RRSHCKCTSA-N", "SMILES:COC(=O)c1ccc(NC(=O)[C@H](CCCCN)NC(=O)C2CCC(CN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCJXXPCXYYSRHF-VLQCZPCNSA-N", "SMILES:CC(C)COC(=O)c1ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C2CCC(CN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDGGJVAQSAIJT-RRSHCKCTSA-N", "SMILES:COC(=O)c1ccc(NC(=O)[C@H](CCCCNC(=N)N)NC(=O)C2CCC(CN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXWZESCGSGPFS-UFFKYAFASA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)C1CCC(CN)CC1)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGKAXKIEXUYMM-AOYJSYRCSA-N", "SMILES:CC(=O)c1ccc(NC(=O)C(CCCNC(=N)NS(=O)(=O)c2c(C)cc(C)cc2C)NC(=O)C2CCC(CN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHXICYJVWPVGLT-BXBRYHBFSA-N", "SMILES:NCC1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(CC(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLFGZBZOIOZRSV-FLJXZVEISA-N", "SMILES:CC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCC(CN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKOMRHGWSXFZSH-UHFFFAOYSA-N", "SMILES:Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCCOc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZWKGQOVLZMLEU-UHFFFAOYSA-N", "SMILES:Nc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCCOc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVBCPBEJSYHNK-JOCHJYFZSA-N", "SMILES:Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVBCPBEJSYHNK-QFIPXVFZSA-N", "SMILES:Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVHOOPXMFWZGQK-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(OC)ccc(OC)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBURJCQSMMNIC-UHFFFAOYSA-N", "SMILES:CC(N)C(=O)NC1CSCc2cc3cc(c2)CSC(C(=O)NC(C)C(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(C(C)O)NC(=O)C(CSC3)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(=N)N)NC1=O"]}
{"name": "Plasma kallikrein", "xref": ["CHEMBL.TARGET:CHEMBL4105792"], "id": "UniProtKB:P14272", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATBJNOLJXJRBB-UHFFFAOYSA-N", "SMILES:CC(=O)NC1CSCc2cc3cc(c2)CSC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NCC(C)NC(=O)C(CSC3)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCN2C(=O)C(Cc2ccccc2)NC(=O)C(CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECRAMBCZUQJGL-UHFFFAOYSA-N", "SMILES:CC(N)C(=O)NC1CSCc2cc3cc(c2)CSCC(C(=O)NC(C)C(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CSC3)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFRKZOVMPPMBKQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3907471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINOKQVNBGAIMA-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRZDWXIXSFZSJ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Oc3ccccc3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUKWTWSWNLIIED-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILKZENXPCIJVGP-UHFFFAOYSA-N", "SMILES:Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4cnc5[nH]cc(Cl)c5c4)c(C#N)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYLYYBRLJOHMS-RQOWECAXSA-N", "SMILES:Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCC/C=C\\CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIJQNWPPQPKQQ-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFWHUJFTCYQOE-UHFFFAOYSA-N", "SMILES:COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1cnc2[nH]cc(Cl)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCVMEJPYJNFSMU-WUFINQPMSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHUARIXQZFRDX-XZWHSSHBSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)c2[nH]ccc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBWHYKRQSALKFK-XZWHSSHBSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)c2sccc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIFIDQFIPIUXTH-XZWHSSHBSA-N", "SMILES:NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBPQVFOASQXEY-YKILCQELSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@H](C(=O)NCc2ccc(CN)cc2)[C@H](O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMNCVWUVWBVXCX-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(N)=O)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBDDXSAKQKODCG-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(OCC3CC3)c3cccc(N)c3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRQCNDUNWFOAJG-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(OCC3CC3)c3ccccc3O)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUIANTFJQLRTEM-UHFFFAOYSA-N", "SMILES:N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUKVDAXUKVLTKB-UHFFFAOYSA-N", "SMILES:Nc1nccc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3cc(C(NCC4CC4)c4ccccc4)ccc3F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZXFEJRZZDJCJ-LKXBVVHWSA-N", "SMILES:NC(CCC1CC1)(c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUMWJIENCDFKX-JRSXUWQBSA-N", "SMILES:CO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccn3)ccc2F)N(C(=O)Nc2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFUQMCJIJWYKH-QPLSPKJVSA-N", "SMILES:CCO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccn3)ccc2F)N(C(=O)Nc2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEWLZJVGPKOAW-WELJHWQCSA-N", "SMILES:NC(CCC1CC1)(c1ccc(F)c(NC(=O)[C@H]2C[C@](O)(c3ccccc3)CN2C(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMKGSFLIMYOEKX-ZORXERLGSA-N", "SMILES:CO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccn3)ccc2F)N(C(=O)Nc2ccc(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHEUJDABOZVRIR-QPLSPKJVSA-N", "SMILES:CO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3cccc(C#N)c3)ccc2F)N(C(=O)Nc2ccc(Cl)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXIQJYENLBIHW-WZOMIXFGSA-N", "SMILES:NC(CCC1CC1)(c1ccc(F)c(NC(=O)[C@H]2CC(F)(F)CN2C(=O)Nc2ccc(Cl)cn2)c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMMTYEFXIWSNDQ-UHFFFAOYSA-N", "SMILES:Fc1cc2[nH]cc(Cl)c2cc1CNc1ncnc2nc(Cc3ccc4ncc(Cl)cc4c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEGUXBPRCAJWCM-UHFFFAOYSA-N", "SMILES:Clc1cnc2ccc(Cc3nc4ncnc(NCc5n[nH]c6ccc(Cl)cc56)c4[nH]3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIBQXYUIVFCOAO-UHFFFAOYSA-N", "SMILES:Fc1c(CNc2ncnc3nc(Cc4ccc5ncc(Cl)cc5c4)[nH]c23)ccc2[nH]cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDRVDGYKFQXRHH-UHFFFAOYSA-N", "SMILES:Fc1cc2[nH]cc(Cl)c2cc1CNc1ncnc2nc(Cc3ccc4ncc(C(F)(F)F)cc4c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOAPLNESWWJTL-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C)c1CNc1ncnc2nc(Cc3ccc4ncc(C(F)(F)F)cc4c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCNTWWKRHUKJJH-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C)c1CNC(=O)c1cncc(Cc2ccc3ncc(Cl)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCSXUNOGUUNST-UHFFFAOYSA-N", "SMILES:Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc(Cn3ccccc3=O)c(S(C)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQQGTGOLZSFJSE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(Cc2cc(C(=O)NCc3cnc4[nH]cc(Cl)c4c3)ccn2)ccc1Cn1ccccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSAOLGBAGJISFG-RIYZIHGNSA-N", "SMILES:C/C(=N\\NC(=O)c1cccs1)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYIIPVSIDYYICA-UHFFFAOYSA-N", "SMILES:CC(CO)C1OC(=O)C=C2C13OC3CC13COC(=O)C1(C)CC(O)CC23C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMMRBQKVXAZVKB-BBWFWOEESA-N", "SMILES:Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CCCC(=O)O)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3416821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJRMWQCCUBHPAX-FBLLAGFSSA-N", "SMILES:CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccc(CO)o2)nc(-c2ccncc2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3416822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGGUFQJITXTJX-ZDXQCDESSA-N", "SMILES:CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccco2)nc(-c2ccncc2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3416823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHSUFIFRCXENTO-OTWHNJEPSA-N", "SMILES:CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CN)nc(-c2ccncc2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1164137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPAUPGVRHFKPAD-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(Cl)cc1)CCc1cc2c(cc1-3)OCO2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMAMGGNACJHXHO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKZLGMAAKNEGCH-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc([N+](=O)[O-])c(Sc2cccc(Cl)c2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCALMLVWZSQGGR-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFUHGICPAGBHCV-UHFFFAOYSA-N", "SMILES:CCN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIGPXXAUSQLTQR-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(nc1C#N)-c1ccc(Cl)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBTWUDMFWKOPHT-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMIAGNYHXEVBX-UHFFFAOYSA-N", "SMILES:CCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCAFDYJPKPNYIM-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLZFXGMYYGHIPC-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccccc2)cc1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLCPPGGJXAQWON-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cccc(C#N)c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWOJJRNXIZVDOA-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc3cn[nH]c3c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZDSGNKROKKCCU-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUSYYVQWDEOOL-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTZJAUCJMCNMEQ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRXNXQILVVUHS-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLBYDWATOPNXBG-XMMPIXPASA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCN4CCN(C)CC4)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLBYDWATOPNXBG-DEOSSOPVSA-N", "SMILES:C[C@@H](CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCN4CCN(C)CC4)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWMOLNPIOMEHFL-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(nc1C#N)-c1ccc(O)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHMSIDGCVHZDM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1nc(C#N)c(C#N)nc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMMJHWPDQFOAQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1OC)C(=O)c1nc(C#N)c(C#N)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCSYSIOCGKCJI-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)-c1nc(C#N)c(C#N)nc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGZFBCXAWLNPU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1C(=O)c1nc(C#N)c(C#N)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVYMHCKGZRDFG-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(nc1C#N)-c1ccc(F)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3407548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBSONLFSAQBRCU-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(nc1C#N)-c1cc(Cl)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFROBLKRLDROB-UHFFFAOYSA-N", "SMILES:Cc1c(F)ccc2c1C(=O)c1nc(C#N)c(C#N)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYBCVYRWTFEZDR-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(nc1O)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUPKQBDIZQYWNP-UHFFFAOYSA-N", "SMILES:CC(C)C(CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCN4CCN(C)CC4)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDGYTYWHAPNNT-HSZRJFAPSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCN4CCOCC4)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCWKVYPZWOOKGB-OAQYLSRUSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCN(C)C)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCOEQVYLFBHDV-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCn4ccnc4)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFUSYLFCNBJLJ-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCN4CCCCC4)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRYGKYWFQIDQT-QGZVFWFLSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRYGKYWFQIDQT-KRWDZBQOSA-N", "SMILES:C[C@@H](CC(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLBYDWATOPNXBG-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCN4CCN(C)CC4)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHAUZFDWIZFRM-FQEVSTJZSA-N", "SMILES:C[C@@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccc(CN)cc4)n(C)nc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMQKBLFJHXUHMS-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1ccccc1-c1ccc(C(=O)N2CCC(O)(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJQTZWBTSLGKC-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc([N+](=O)[O-])c(Sc2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKASZNCVMVAYGF-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc([N+](=O)[O-])c(Sc2cccc(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1700860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXTKLJSFJQGFET-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHFNQWOCAYQTSO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc([N+](=O)[O-])c(Sc2cc(Cl)cc(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQTNXNYANZYTBZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVKKLNMIMXUYOS-UHFFFAOYSA-N", "SMILES:CC(O)c1cc([N+](=O)[O-])c(Sc2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVWPLWVMYRGYCP-UHFFFAOYSA-N", "SMILES:CCCCc1cc([N+](=O)[O-])c(Sc2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWIKNAKBVWBXMY-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNUDHSRSDPPHZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc([N+](=O)[O-])c(Sc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSEBPVJOSYPRJS-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc([N+](=O)[O-])c(Sc2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZFGTMFJLSUORF-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMPNZWATLDPOGT-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKVXMHNKGVAOI-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cccc3Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBLPASJLOLFBCB-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUNMCCIUSOUMN-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTEDMDSLGCKYMS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2159506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQXYWMTUIQUROJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C#N)c(Sc2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJQNEAJXLGLMAE-UHFFFAOYSA-N", "SMILES:CCSc1nc2c(nc1C#N)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRDZVQATVIGJSQ-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(nc1C#N)C1(OCCO1)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTOEDJMHWVFER-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-c1nc(C#N)c(C#N)nc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZMQMJPEZGJNZ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1C(=O)c1nc(C#N)c(C#N)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNEKQHNZUGFLEO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)c1nc(C#N)c(C#N)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMDHPBOPNWALH-UHFFFAOYSA-N", "SMILES:COc1nc2c(nc1C#N)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMUQPZVRIVWORD-UHFFFAOYSA-N", "SMILES:COCCOc1nc2c(nc1C#N)C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHPGNATOYICNX-UHFFFAOYSA-N", "SMILES:N#Cc1nc2c(nc1N)-c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKFHCRIFYNLKR-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3c(Br)csc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRRXSEFLOFZNSO-OAHLLOKOSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(Br)csc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOHHERZQBLFCB-OAQYLSRUSA-N", "SMILES:NCc1ccc(-c2[nH]nc3c(=O)n(CC4(O)CCN(C(=O)C[C@H](c5ccccc5)C(F)(F)F)CC4)cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPQYKGBXQQARM-JOCHJYFZSA-N", "SMILES:Cn1nc2c(=O)n(CC3(O)CCN(C(=O)C[C@H](c4ccccc4)C(F)(F)F)CC3)cnc2c1-c1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510492", "category": ["biolink:ChemicalEntity"], "name": "XESTOQUINONE", "xref": ["InChIKey:HDONDRKCXFRHQQ-FQEVSTJZSA-N", "SMILES:C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513747", "category": ["biolink:ChemicalEntity"], "name": "HELENAQUINONE", "xref": ["InChIKey:SMGBXXZKAPMTBB-FQEVSTJZSA-N", "SMILES:C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4126079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPGHFDDGVWCQK-RATTXREYSA-N", "SMILES:C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(=O)c4c(c(=O)c3cc12)c1c(=O)c2cc3c(cc2c(=O)c1c1c(=O)c2cc5c(cc2c(=O)c41)[C@]1(C)CCCc2coc(c21)C5=O)[C@]1(C)CCCc2coc(c21)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5284693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCIJTUOUVZWRO-RATTXREYSA-N", "SMILES:C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(=O)c4c5c(=O)c6cc7c(cc6c(=O)c5c5c(=O)c6cc8c(cc6c(=O)c5c4c(=O)c3cc12)C(=O)c1occ2c1[C@@]8(C)CCC2)[C@]1(C)CCCc2coc(c21)C7=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBETZSOXISRQOT-YOEXWAKESA-N", "SMILES:C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=C([C@]12CCC[C@@]4(C)c5cc6c(OS(=O)(=O)O)ccc(O)c6cc5C(=O)O[C@]14C(=O)OC2)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOMJECRUYZEYLP-ZAQUEYBZSA-N", "SMILES:C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=C(c1cc(OS(=O)(=O)O)c2cc4c(cc2c1O)C(=O)c1occ2c1[C@@]4(C)CCC2)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4128416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEAOLLOZEGQONA-ZAQUEYBZSA-N", "SMILES:C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=C(C1=CC(=O)c2cc4c(cc2C1=O)C(=O)c1occ2c1[C@@]4(C)CCC2)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDGLUHCIMDDNNX-ZAQUEYBZSA-N", "SMILES:C[C@@]12CCCc3coc(c31)Cc1cc3c(cc12)C(=O)C(C1=CC(=O)c2cc4c(cc2C1=O)C(=O)c1occ2c1[C@@]4(C)CCC2)=CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNPMXTQBYXWBRW-MRLOBJKZSA-N", "SMILES:C[C@H](C1=CC(=O)c2cc3c(cc2C1=O)C(=O)c1occ2c1[C@@]3(C)CCC2)C1=CC(=O)c2cc3c(cc2C1=O)[C@]1(C)CCCc2coc(c21)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCRWIRMANPDQFP-QFIPXVFZSA-N", "SMILES:C[C@@]12CCCc3c(CCO)oc(c31)C(=O)c1cc3c(cc12)C(=O)C=CC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKMJPGPFMWVJK-POLFCZAWSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391533", "category": ["biolink:ChemicalEntity"], "name": "COROSOLIC ACID", "xref": ["InChIKey:HFGSQOYIOKBQOW-ZSDYHTTISA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKLMGIVTNMNOJC-WJBLAYPYSA-N", "SMILES:COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@]4(C)CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUHJELKXLYXNCJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)n(CC3(O)CCN(C(=O)CC(C)c4ccccc4)CC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDBFUGMTLXPBN-QGZVFWFLSA-N", "SMILES:CC(=O)Nc1cc2c(=O)n(CC3(O)CCN(C(=O)C[C@@H](C)c4ccccc4)CC3)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYGELZPUAYPJS-QGZVFWFLSA-N", "SMILES:CNC(=O)Nc1cc2c(=O)n(CC3(O)CCN(C(=O)C[C@@H](C)c4ccccc4)CC3)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXIGMHDBRKSFSG-QGZVFWFLSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATUJYSJYTRXFGL-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1)n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXIGMHDBRKSFSG-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVVAAYGWZZKGRV-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)c2)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVMZXFBXWIFTF-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)Nc1ccccc1-c1ccc(C(=O)N2CCC(O)(Cn3cnn4cccc4c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZKQQCOGWPSBC-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC(O)(Cn2cnn3c(-c4ccccc4)ncc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKRLGYPPKSUNO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCC(O)(Cn2cnn3c(-c4ccc(F)cc4)ncc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSJWULTZZLZNMC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncc3c(=O)n(CC4(O)CCN(C(=O)CC(C)n5cccn5)CC4)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSJWULTZZLZNMC-IBGZPJMESA-N", "SMILES:Cc1ccc(-c2ncc3c(=O)n(CC4(O)CCN(C(=O)C[C@H](C)n5cccn5)CC4)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFPUOPIRTXAHG-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(C2CC2)o1)N1CCC(O)(Cn2cnn3c(-c4ccc(F)cc4)ncc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIAYMRXEFZIQAJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-n2cccn2)cc1)N1CCC(O)(Cn2cnn3c(-c4ccc(F)cc4)ncc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVBHXINMAFOJNM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJBMGKKOOFWAC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELMTKUUMRTUPV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cc2cccs2)cc1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPGMHYSNYCPJF-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(C(=O)N2CCC(O)(Cn3cnn4cccc4c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYYJXVQNBKGOSY-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)c1ccc(C(=O)N2CCC(O)(Cn3cnn4cccc4c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYGQKLHSNBMMAR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)n(CC3(O)CCN(C(=O)C(C)Cc4ccccc4)CC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNPJQZPNQORRQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)c(Cl)c2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHKJKDLQUPJHIT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(=O)n(CC3(O)CCN(C(=O)CC(C)c4ccccc4)CC3)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLXBUWTCXTDMH-UHFFFAOYSA-N", "SMILES:Cc1cc2c(=O)n(CC3(O)CCN(C(=O)C(C)Cc4ccccc4)CC3)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLNDTOFMDHIHV-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc(Cl)c1Cl)Nc1cc2c(=O)n(CC3(O)CCN(C(=O)C4CC4)CC3)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFVWZUCUOYEACB-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)Nc2cc3c(=O)n(CC4(O)CCN(C(=O)C5CC5)CC4)cnn3c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACLTVZNTMRTBOO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2c(=O)n(CC3(O)CCN(C(=O)C4CC4)CC3)cnn2c1)c1csc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPIODZKQTUUOY-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccc3c(c2)OCO3)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKMGSNMXXRHGP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cccc(C(=O)N2CCC(O)(Cn3cnn4cccc4c3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXPFUNOUQSBHF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMEAXWHLYHHLOO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWMLWFRMKNFAPB-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccccc2)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACVXCOZCJTWQN-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccc(Cl)cc2)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCRJWXNKBRQRQ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2cccc(Cl)c2)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXIVOOWKXPHHO-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXOURXUCUKCLL-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccc3ncccc3c2)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCFBOKNFZSBEH-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccc3scnc3c2)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXSKDLJIHYQMU-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]ncc2c1-c1cccc(C(=O)N2CCC(O)(Cn3cnn4cccc4c3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKNWKJPIJFDJK-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccccc2F)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOKKUDVQCWLYJK-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAGVPZNKLZDXJJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2cccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJHVGQDYWRKWEL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)c2)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFICXHWLRQPSM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cnc3ccccc3c2)cc1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVQIIUZOWTXCL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncccc3c2)cc1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXKLGSVJJGAJHH-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(-c3ccc(C(=O)N4CCC(O)(Cn5cnn6cccc6c5=O)CC4)cc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMJFXXMZQCXCPL-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(Cn2cnn3cc(Cl)cc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCRZPYRBXCOGE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)c(C3CCCC3)c2)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXWVNDVNFAUGTO-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(Cc1ccccc1)C(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBSHTIMELHWIPR-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccccc1)c1ccc(C(=O)N2CCC(O)(Cn3cnn4cccc4c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKHLJKWNRKCHDG-UHFFFAOYSA-N", "SMILES:CCC(Cc1ccccc1)C(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSXBOKUFFTYJFZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTZFBHVAFSIDSK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccccc2)cc1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGGXZTBZWPUQRS-UHFFFAOYSA-N", "SMILES:CC(Cc1ccccc1)C(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEUSBEULNQCSJT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJUJJXBZJAANPZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMLRIGNGKAQNA-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N2CCC(O)(Cn3cnn4cccc4c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNFQEOVBAWXHPP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2cnc(N)c(-c3ccc(O)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHLBAVHOVNJHA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(O)cc2)c(C2CC2)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXXYYBUAGZNMM-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(O)cc2)c(C(F)(F)F)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGMQBJSPUSOQLX-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2F)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESGTZDNLCJYDZ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(OC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIIFVDTIRGHGU-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFJOHJSFZFEHL-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cccc(CN3CCOCC3)c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLHBWWLCAURJNW-UHFFFAOYSA-N", "SMILES:CCCNc1ncc(-c2ccc(O)cc2)c(CC)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZLQEHOMOMNUQA-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cccc3nn(C)cc23)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRPEGYOWQHSIR-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc3[nH]c(C)nc3c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADPOBAMFHZFYGM-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cccc(N)c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKFVNNONMMROD-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cccc(NC(C)=O)c2)cnc(N)c1-c1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNYNUOSJBIBMRT-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1cccc(NS(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDJFZYLOYHVFB-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cccc(N3CCNCC3)c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGALEDDBPRSQTF-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(C(=O)N(C)C)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDETYPQKWXVNMF-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(=O)[nH]c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJBXSIMIVYGXRN-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1cncc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JABGGPLCMBFDRA-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(NS(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBYKJOZAZEGLU-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(F)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTBXLLZIXZMDRD-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(C)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESQHLOYZOMZEG-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccccc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDCIEHXZJEFOC-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(NCC2CC2)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORKWUJQYDEOAB-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(F)c(F)c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKQRJLIKCVBZBN-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccccc2F)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUINPKKPZNJRSS-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2[nH]nc(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINOFMOWAMSGQS-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cncc(C#N)c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALZRDYFIHLSJES-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cccc(CC#N)c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTYDZWKKSQQCW-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc(O)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIYZCWUKWCAAB-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cccc(Cl)c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDNWIGPGPEFQA-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccccc2Cl)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UATGLRYKYYREMW-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(Cl)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFMSVLZGAADKCN-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(NC)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLDHPYHVIHEQC-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(C(N)=O)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUPJOOTYKTWNIN-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(C(=O)NC3CC3)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBRFGLSFXWXIX-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cccc(C(F)F)c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXOOSGBMNNXLEQ-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(NC(C)=O)nc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXGBQOCJOOOFS-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(C(=O)NC)cc2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRLDOCCPNSDNH-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYGBKDFNBQHHND-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(O)c(C#N)c2)cnc(N)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQSPKDFXYZKHQ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC1CS(=O)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])c(Sc4c(Cl)cncc4Cl)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOLDIQBSZNEWTE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQZZBSDBCALHM-UHFFFAOYSA-N", "SMILES:COCCNC1CS(=O)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])c(Sc4c(Cl)cncc4Cl)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULMECFHGAOBIB-UHFFFAOYSA-N", "SMILES:CS(=N)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZSIXGYRVPWENG-UHFFFAOYSA-N", "SMILES:CC1CS(=N)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])c(Sc4c(Cl)cncc4Cl)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZASMGFZPLUJA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFIXFXYYBMRUQS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)C2CC2)c1)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMDFAGJISJLIBJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)CC2CC2)c1)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWTTZUZTQQZOOV-UHFFFAOYSA-N", "SMILES:O=C(c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1)N1CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOMJOIKEWTWMJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZJMLHGDSZDRAU-UHFFFAOYSA-N", "SMILES:O=C(NC1CCS(=O)(=O)c2ccccc21)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXVDERIGDLIESV-UHFFFAOYSA-N", "SMILES:O=C(NC1CCS(=O)(=O)C2COCCC12)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWHNTADQXDSEAU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTJYVLTNFOIJN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYKHTZFZLQQUBF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(=O)Nc2ccc3c(c2)S(=O)(=O)C=C3)sc1Sc1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMISNAKTJCJKK-UHFFFAOYSA-N", "SMILES:CC1=CS(=O)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])c(Sc4c(Cl)cncc4Cl)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEZAUTQLDFTNCN-UHFFFAOYSA-N", "SMILES:CC1CS(=O)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])c(Sc4c(Cl)cncc4Cl)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVAUDUHORHIDN-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGUYKQCRXYQSMF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSYPJNYEPMOLH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFYZZFSFDVZKMP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C(=O)CC2)c1nnc(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDGNBFTGGKQQA-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKBKVKGSXOXLX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1nnc(Sc2c(Cl)cncc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNAZSRWZWGTCBC-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NC(=O)c3nnc(Sc4c(Cl)cncc4Cl)s3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJQURHKNUVBFS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1)c1nnc(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUQBSRDPKRQJV-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1nnc(Sc2c(Cl)cncc2Cl)s1)c1ccc2c(c1)S(=O)(=O)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSDIGNOKWSCUAS-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)ccc2c1S(=O)(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNQUGOLFVSVXNR-UHFFFAOYSA-N", "SMILES:COCCOCCN(C(=O)c1nnc(Sc2c(Cl)cncc2Cl)s1)c1ccc2c(c1)S(=O)(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBBEMUIDSVNFH-UHFFFAOYSA-N", "SMILES:Nc1ncc(Cl)c(Sc2nnc(C(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)s2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNGKTIEBICVJM-UHFFFAOYSA-N", "SMILES:CC1CS(=O)(=O)c2cc(NC(=O)c3cnc(Sc4c(Cl)cncc4Cl)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPSCYKJXSCUQW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cnc(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPJAEPALNODCD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cnc(Sc2ccncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNGJLVRXCPJBNF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1nnc(Sc2c(F)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYOCKOOPAZYMAA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1sc(Sc2c(Cl)cncc2Cl)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWZIPDLZJXBMU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDAMESKPKZMJGE-UHFFFAOYSA-N", "SMILES:CC1CS(=O)(=O)c2cc(NC(=O)c3nnc(Sc4c(Cl)cncc4Cl)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSUQPYMOOXPJNT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1nnc(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVYCPDIBTFEUMB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1nnc(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPMCNPTVMIPGTM-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBZFBKCXCCLOS-UHFFFAOYSA-N", "SMILES:CN(C)CCNC1CS(=O)(=O)c2cc(NC(=O)c3nnc(Sc4c(Cl)cncc4Cl)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOCRVLBOSDZCL-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1ccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKLRJJQWMPGZEG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)CC2NCCN1CCOCC1)c1nnc(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFFWWEVGRNQZPH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NCCCN2CCOCC2)cc1)c1nnc(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJCIBJLDLDORJ-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNDWXTVINOWDI-UHFFFAOYSA-N", "SMILES:CN(C)CC(O)COc1ccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLZIOGJWVYGPZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Br)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVNFNPYQLEMJV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1nnc(Sc2c(Cl)cncc2Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOUOEYWCXEZBH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)n1)c1nnc(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJFHTLZSZHENW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccn1)c1nnc(Sc2c(Cl)cncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAGGVMTQAJXHA-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKBKTPNBWVKIQI-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC1CS(=O)(=O)c2cc(NC(=O)c3cnc(Sc4c(Cl)cncc4Cl)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1493046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYIVINSSPOAIBA-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOUOZGIXDMUJU-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3392741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZUGMNXETPARLI-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 24", "xref": ["CHEMBL.TARGET:CHEMBL5291599"], "id": "UniProtKB:Q9UPU5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHSFXDGKQYOED-UHFFFAOYSA-N", "SMILES:OCCNCc1cc(Br)ccc1OCc1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYSDKCEPZFKSP-UHFFFAOYSA-N", "SMILES:OCCNCc1cc(Br)ccc1OCc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1625370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZPYTMGKBNQPF-UHFFFAOYSA-N", "SMILES:OCCNCc1cc(Br)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNDGMADQNQLFGN-UHFFFAOYSA-N", "SMILES:OCCNCc1cc(Br)ccc1OCc1cc(F)c(F)cc1F"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 25", "xref": ["CHEMBL.TARGET:CHEMBL4295975"], "id": "UniProtKB:Q9UHP3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGOCCALXFSRHZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2n[nH]cc2-c2ccc(F)c(-c3cnn(CCO)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJTYZDORHCDZPS-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJMSZGHKQPPJS-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAGZIBJAQGBRQA-UHFFFAOYSA-N", "SMILES:O=C(NC1CCOCC1)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BERLXWPRSBJFHO-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFCXRYULHMNCG-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2nc[nH]c2-c2ccc3ncsc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYKSGWSKILPDDY-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHLVSLOZUHKNMQ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPQHFZUICCZHF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3nccnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1824446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTUOOXPZOVNPMF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHYJEFITGKRTJS-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)C(c1ccccn1)N(C(=O)CCl)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOILAQATIAPDMP-LXTVHRRPSA-N", "SMILES:CC(C)(C)COCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOILAQATIAPDMP-BYNSBNAKSA-N", "SMILES:CC(C)(C)COCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO"]}
{"name": "Mycosin-1", "xref": ["CHEMBL.TARGET:CHEMBL5291511"], "id": "UniProtKB:O05461", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "L,D-transpeptidase 2", "xref": ["CHEMBL.TARGET:CHEMBL5291546"], "id": "UniProtKB:I6Y9J2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISSQSMZCMEAHK-VDQFEJKLSA-N", "SMILES:C=C1C[C@@]23CCC4[C@H](C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3"]}
{"name": "Thioredoxin reductase", "xref": ["CHEMBL.TARGET:CHEMBL2390811"], "id": "UniProtKB:P9WHH1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYXPOFIGCOSSB-XBLVEGMJSA-N", "SMILES:CCCCCC/C=C/C=C/CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4303722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYXPOFIGCOSSB-GOJKSUSPSA-N", "SMILES:CCCCCC/C=C/C=C\\CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1093743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJZMAHZJGSBKD-NMMTYZSQSA-N", "SMILES:CCCCC/C=C\\C=C\\CCCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4285537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDBVKRRTUJIHZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2csc(NC(=O)CCCCCCC(=O)Nc3ccccc3N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYKIQDXPWYJSPM-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccc(-c2cn(Cc3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUAJUAAUQILNBN-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNc2nc(-c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXAUXMXVFLCQQK-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(-c2cn(CCc3cccc([N+](=O)[O-])c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFDLXVBRYIAGS-QHCPKHFHSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C(C)(C)N(C)C)c1ncc(-c2cc3ccccc3nc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDLXIAJANEPRD-QHCPKHFHSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)N1CCOCC1)c1ncc(-c2cc3ccccc3nc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTLTXEIKQVWSRF-UHFFFAOYSA-N", "SMILES:C=C1CN(Cc2ccc(C(=O)Nc3ccccc3N)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3347696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBZAGGLERWKQC-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(-c2cn(-c3ccccc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVFYUQINBVANV-UHFFFAOYSA-N", "SMILES:Nc1ccc(F)cc1NC(=O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRJFGWIXSYDRE-FQEVSTJZSA-N", "SMILES:COc1ccccc1NC(=O)N[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKZFNTOJPSTVDI-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AENKNAKODODQJV-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUDLGFSALZPCS-NDEPHWFRSA-N", "SMILES:COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLHKMCRBBLUAOD-YTTGMZPUSA-N", "SMILES:COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C(=O)Nc3ccc(-c4cccs4)cc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVGDDLZPOUNBAG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKUKPEYLIALRQI-QHCPKHFHSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)[C@@H](NC(=O)c2ccc3ccccc3c2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYFIQWENUALSN-QHCPKHFHSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc3ccccc23)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDSLRGHAAFGPK-IBGZPJMESA-N", "SMILES:O=C(NO)c1ccc(NC(=O)[C@@H](NC(=O)c2cccc(Br)c2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIIXGYKPYLMDY-VWLOTQADSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)N[C@H](C(=O)Nc3ccc(C(=O)NO)cc3)c3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPHOMXAZIKWEU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNCc1cc2ccccc2[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDSORAAJXVVRX-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNCc1ccc(-c2ccccc2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTHTYSUCXALYGC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNCc1ccc2ccccc2c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIBGZRVNDWMMFE-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCN(Cc1cc2ccccc2[nH]1)Cc1cc2ccccc2[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXKHSOCCRLCBI-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCN(Cc1ccc(-c2ccccc2)s1)Cc1ccc(-c2ccccc2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXQTRDAEWYSSH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCN(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLPPFAZSJSJSF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNCc1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUPDVVWNENNSPJ-UHFFFAOYSA-N", "SMILES:Cc1cc(CNCCCCCCC(=O)NO)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGSZEFWMXKAJG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCCCCCCC(=O)NO)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJHLXQGXRUFBKJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNCc1ccc(F)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNOSPXWJXXMXQF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNCc1ccc([N+](=O)[O-])cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDDYEOOIHJNCQ-OQLLNIDSSA-N", "SMILES:COC(=O)/C=C/c1ccc(OCCNc2cc3c([nH]c4ccccc43)c(-c3ccc(OC)cc3)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYNSNDXSMWEHDL-MHWRWJLKSA-N", "SMILES:COC(=O)/C=C/c1ccc(OCCCNc2cc3c([nH]c4ccccc43)c(-c3ccc(OC)cc3)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKBVXZPWKPRIH-CXUHLZMHSA-N", "SMILES:COc1ccc(-c2nc(NCCCOc3ccc(/C=C/C(=O)NO)cc3)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHABKGDRHMZLE-GZTJUZNOSA-N", "SMILES:COC(=O)/C=C/c1ccc(OCCCCNc2cc3c([nH]c4ccccc43)c(-c3ccc(OC)cc3)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGIUBDGCWRWNR-OVCLIPMQSA-N", "SMILES:COc1ccc(-c2nc(NCCOc3ccc(/C=C/C(=O)NO)cc3)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEWRQBNFEANYQN-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)c(Cc1cccc(C(F)(F)F)c1)cn2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVKCBFELANYQU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCc1cn(CCCCCC(=O)NO)c2ccc(-c3c(C)noc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHJWZSNHXFBPGB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCN1C=Cc2ccccc2C1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRLLWXIGAGZKFP-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEFFJUUDNJNDQ-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFXANVWFFBJSR-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTHBGAGRQLSYFV-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSOILGKPVXNZLM-UHFFFAOYSA-N", "SMILES:CCCCCNNC(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIPSZXUSOVGKH-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEUBTRYAAACNU-UHFFFAOYSA-N", "SMILES:O=C(NNCCC1CCCC1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLUNIKKCWQZBO-UHFFFAOYSA-N", "SMILES:O=C(NNCC1CCCC1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBJHPWKSLDVNC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)NNCC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIAAHUTOZSUKC-UHFFFAOYSA-N", "SMILES:O=C(NNCCCc1ccccc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVQXQVYANUQRJK-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHRYTTWRVKXODS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=Cc2ccc(-c3cccc(C#N)c3)cc2N=C(N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHJATBIERQTCTN-UHFFFAOYSA-N", "SMILES:CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEGPXIRROZENJQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFOUKXBAXMMSI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc3cc(O)ccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLTVGRLFBAPWPF-UHFFFAOYSA-N", "SMILES:CC(C)CC(C(=O)N(C)C(Cc1ccccc1)C(=O)O)C(CSc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPRZOPYGOUMBED-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)NC(Cc4ccccc4)C(=O)NO)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTCOBJWAVVPWJG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUSMVCKSLVPRCL-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CN(Cc3ccccc3)C(=O)CC2C(=O)NO)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL427616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVTZTBYJGHGCO-LJQANCHMSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)NO)N(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPPIRCRVNMSQH-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2ccccn2)c2c(C)cc(-c3cccc(C(F)(F)F)c3)cc2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKOKUIXGDZGRK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(c2c(C)cc(-c3cccc(C(F)(F)F)c3)cc2C(=O)NO)N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTZJEWKGLEPFF-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C)c2c(C)cc(Cc3ccc(CN(C)C)cc3)cc2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKOJHGCRNWYSW-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C)c2c(CN3CCOCC3)cc(C)cc2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDJMZMVDBUNNQ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)CN3CCN(C)CC3)CC2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTKISDMFBTXGP-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)ccc3c(C(C)(C)C)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL309492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRPXVKQVZQEPFT-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAGGTRYSDSBYRX-FPOVZHCZSA-N", "SMILES:CCCCCCCCCC[C@@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEQVAMXVLPWEFB-UHFFFAOYSA-N", "SMILES:CCCN(C(CSC)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUICQLWFCKUDMO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)C(CCSCc2ccccc2)C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCLVQAXJIHPKK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CC(C)(C)C(CCSCc3ccccc3)C2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFGLKKYZDCKZGM-UHFFFAOYSA-N", "SMILES:O=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(-c4ccc(-c5cncnc5)cc4)nn3)cc2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCLAWKUXDCGDW-GOSISDBHSA-N", "SMILES:CCc1ccc(C#Cc2ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEDKFNMSFNCII-QGZVFWFLSA-N", "SMILES:O=C(O)CC[C@@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWWZSLPTPKEDCJ-DJNXLDHESA-N", "SMILES:O=CN(O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)[C@@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABJDGVMFIEUIN-OAHLLOKOSA-N", "SMILES:CC1(C)NC(=O)N(C[C@H](CS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(O)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAMDBBMJAYDZQJ-KRWDZBQOSA-N", "SMILES:Cc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYJDFANEQLDGP-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCCC(C)(C)CC2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFKTMNLZHLRIH-UHFFFAOYSA-N", "SMILES:CCOCCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPNKVRYCBRQPZ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCN(c3cccnc3)CC2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL100584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFHBUYGFCSEHIF-UHFFFAOYSA-N", "SMILES:O=C(NO)C(CCn1nnc2ccccc2c1=O)COCCc1ccc(-c2ccc(Cl)cc2)cc1"]}
{"name": "Collagenase 3", "xref": ["CHEMBL.TARGET:CHEMBL4944"], "id": "UniProtKB:P23097", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMPBGCFFWGHBZ-OPXMRZJTSA-N", "SMILES:O=C(O)[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1SCc1ccc(-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJBXDRAIVUDWJE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(N2CC2Cn2cc(CCCCCCc3cn(CC4CN4c4ccc(C(F)(F)F)cc4)nn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL308987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKIXPTPAIVWSBW-JOCQHMNTSA-N", "SMILES:O=C(NCCO)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSGJPZVHLPUBQR-NRFANRHFSA-N", "SMILES:N#Cc1ccc(Cn2cncc2CC[C@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWQKPDSZVQJJCE-NTKDMRAZSA-N", "SMILES:N#Cc1ccc2cc1Oc1ccc3c(c1)[C@@H](CCC3)N1CC[C@H](C1)NCc1cncn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375492", "category": ["biolink:ChemicalEntity"], "name": "AMITHIOZONE", "xref": ["InChIKey:SRVJKTDHMYAMHA-WUXMJOGZSA-N", "SMILES:CC(=O)Nc1ccc(/C=N/NC(N)=S)cc1"], "synonym": ["Thioacetazone", "Thioacetazone", "Tioacetazona", "Thiacetazone", "Amithiozone", "Citazone", "Thibone", "Thioacetazone", "Thioacetazonum", "Thiocarbazil", "Thioparamizone", "NSC-3550", "SQ-2321", "TB I-698"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103762", "category": ["biolink:ChemicalEntity"], "name": "AMBAZONE", "xref": ["InChIKey:MLMFUKWWZIZRHX-VFWKFLPVSA-N", "SMILES:N=C(N)NN=C1C=CC(=NNC(N)=S)C=C1"], "synonym": ["Ambazone", "Ambazone", "Ambazona", "Faringosept"]}
{"id": "CHEMBL.COMPOUND:CHEMBL345768", "category": ["biolink:ChemicalEntity"], "name": "THIOURACIL", "xref": ["InChIKey:ZEMGGZBWXRYJHK-UHFFFAOYSA-N", "SMILES:O=c1cc[nH]c(=S)[nH]1"], "synonym": ["2-thiouracil", "Thiouracil", "NSC-19473"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1330588", "category": ["biolink:ChemicalEntity"], "name": "METHYLTHIOURACIL", "xref": ["InChIKey:HWGBHCRJGXAGEU-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)[nH]c(=S)[nH]1"], "synonym": ["Methylthiouracil", "Methylthiouracil", "Methylthiouracile", "Metiltiouracilo", "Thimecil", "NSC-193526"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448290", "category": ["biolink:ChemicalEntity"], "name": "THIOINOSINE", "xref": ["InChIKey:NKGPJODWTZCHGF-KQYNXXCUSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O"], "synonym": ["6-mercaptopurine riboside", "Thioinosine", "Mercaptopurine ribonucleoside", "NSC-4911"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL586115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOLOLRELISBGS-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2cc(C(F)(F)F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQPHIGGVONVAFD-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJCHFXBCVXSIZ-AWEZNQCLSA-N", "SMILES:CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(-c2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQRVOAJCWFFQG-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(-c2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3616528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDUTVTQACWYOMX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2c(ncn2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1904209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFKDOLCUFDMQB-UHFFFAOYSA-N", "SMILES:CC(=O)O.Nc1nc(N)c2c(ccc3c2ccn3Cc2cccc([N+](=O)[O-])c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMGTQSCMRRWFV-UHFFFAOYSA-N", "SMILES:Cc1cc(CSC(=N)NC(=N)N)c(C)cc1CSC(=N)NC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMBHZVIUQCTLJ-UHFFFAOYSA-N", "SMILES:Cc1cc([N+](=O)[O-])c(C)cc1CSC(=N)NC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJCHFXBCVXSIZ-CQSZACIVSA-N", "SMILES:CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)cc(-c2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKKZVMQJNNEFK-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1C#CC(C)c1cc2c(c(-c3ccncc3)c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1724189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNEWNMFMWDBAKM-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCCSLGGODRWKK-NSCUHMNNSA-N", "SMILES:CC(=O)Nc1ccc(/C=C/c2ccc(N=C=S)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSPGXGVKGIGQV-OUKQBFOZSA-N", "SMILES:CCCc1cc(N)cc(N)c1Cc1cc(/C=C/C(=O)N2N=Cc3ccccc3C2C=C(C)C)c(OC)c(OC)c1"]}
{"name": "Dihydrofolate reductase", "xref": ["CHEMBL.TARGET:CHEMBL1681620"], "id": "UniProtKB:P0A017", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPLBUUTAQCZOE-CQSZACIVSA-N", "SMILES:CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)cc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPLBUUTAQCZOE-AWEZNQCLSA-N", "SMILES:CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDVMSPWZQHNMB-NEQMZLFVSA-N", "SMILES:CCC[C@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMXFOOOULMEBF-DOLQFUNRSA-N", "SMILES:CC[C@@H]1CC[C@H]2C(CC)(CC)[C@H](O)CC[C@]2(CC)[C@@]12Cc1c(O)cc3c(c1O2)COC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRRPYVWDWHTKO-MSUUIHNZSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKTPJNOODYPMAJ-NXVVXOECSA-N", "SMILES:Cc1ccc(CN2C(=O)/C(=C3\\SC(=S)N(C(=O)O)C3=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRWCMVZBIORDX-MSUUIHNZSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYLJOUQPCCUQZ-ZCXUNETKSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDLANLCYCSUJP-QRVIBDJDSA-N", "SMILES:COc1cc(/C=C2\\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc(B(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTCRWMBLFPEMC-GAYSTUHSSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKRDCAMSNJRAO-FCHJHLRLSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1C2COC3OCC1C3C2)S(=O)(=O)c1ccc(B(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKWOJGSBZEZTL-AVGNSLFASA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYLBZJKJNAYAFU-AVGNSLFASA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEHVPCBXKCYHE-FPLPWBNLSA-N", "SMILES:CCCCCC/C=C\\CCCCCCCC(=O)OCC1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGFJJNBUMXQSMU-PDBXOOCHSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OCC1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDYEXHMEHZNPY-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJGYRHAOHORFC-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(-c2ccccc2)c1)C(=O)Oc1ccc(-c2ccc(C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGSHLGRLFKZCK-UHFFFAOYSA-N", "SMILES:CN(C(=O)Oc1nsnc1N1CCOCC1)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQGMWUWJVBKTRM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)n2cc(-c3ccc(OC(F)(F)F)cc3)nn2)C(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVLOFRPVRYAFKI-VSGBNLITSA-N", "SMILES:C#CCO[C@@H]1CC[C@H](Cc2ccccc2)N(C(=O)n2ncc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCQNBNJCBIKELG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)n2cc(-c3ccc(OC(F)(F)F)cc3)nn2)C(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKJMWHULJIOKPJ-RUZDIDTESA-N", "SMILES:O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKQUPBBZHZMZAO-RUZDIDTESA-N", "SMILES:O=C(N1CCC=C[C@@H]1Cc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1"]}
{"name": "Monocarboxylate transporter 3", "xref": ["CHEMBL.TARGET:CHEMBL5291533"], "id": "UniProtKB:Q90632", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"name": "Monocarboxylate transporter 4", "xref": ["CHEMBL.TARGET:CHEMBL5291501"], "id": "UniProtKB:O35910", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDFPRWXAPVVXKC-FOWTUZBSSA-N", "SMILES:CCCCN(CCCC)c1ccc(/C=C(\\C#N)C(=O)O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZQDXDSMYKUVFI-LZYBPNLTSA-N", "SMILES:COc1cc(N(CC(C)C)CC(C)C)ccc1/C=C(\\C#N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYZWLUWMPJZUDU-NBVRZTHBSA-N", "SMILES:CCCCCN(CCCCC)c1ccc(/C=C(\\C#N)C(=O)O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOPFDHPGYLVCCO-HYARGMPZSA-N", "SMILES:COc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1/C=C(\\C#N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEDHRYWTPAZLTH-UKTHLTGXSA-N", "SMILES:COc1cc(N2CCCCC2)ccc1/C=C(\\C#N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIYZMSFJSKOOBF-XYOKQWHBSA-N", "SMILES:COc1cc(N2CCCC2)ccc1/C=C(\\C#N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOKBWQIMMUTDEE-NBVRZTHBSA-N", "SMILES:COc1cc(N(c2ccccc2)c2ccccc2)ccc1/C=C(\\C#N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJVSHIKNUAOEB-DYTRJAOYSA-N", "SMILES:CC(C)(C)[Si](Oc1ccc(/C=C(\\C#N)C(=O)O)cc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNFGGZVNAMPLT-BSYVCWPDSA-N", "SMILES:CC(C)(C)[Si](OCCOc1ccc(/C=C(\\C#N)C(=O)O)cc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIZNHCWFGNKBBZ-JLHYYAGUSA-N", "SMILES:N#C/C(=C\\c1cn(-c2ccccc2)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPKOZKHGVCZFNB-XNTDXEJSSA-N", "SMILES:N#C/C(=C\\c1cn(Cc2ccccc2)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYMDCHYRSVUUBL-MUUNZHRXSA-N", "SMILES:CCn1ncc2ccc(-c3cc(CO[C@](C)(CC)C(=O)O)nn3-c3ccccc3N3CCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRNVUKNQCFNPU-MUUNZHRXSA-N", "SMILES:CCCn1ncc2ccc(-c3cc(CO[C@](C)(CC)C(=O)O)nn3-c3ccccc3N3CCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCQXTRMPQSQDAK-HHHXNRCGSA-N", "SMILES:CC[C@@](C)(OCc1cc(-c2cccc(OC3CC3)c2)n(-c2ccccc2N2CCC2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107549", "category": ["biolink:ChemicalEntity"], "name": "BINDARIT", "xref": ["InChIKey:MTHORRSSURHQPZ-UHFFFAOYSA-N", "SMILES:CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O"], "synonym": ["Bindarit", "Bindarit", "AF 2838", "AF-2838", "Bindarit"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5274874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZCPHQLWWPQDG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(NC(=O)CCC(=O)NN)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQRVEESLGDZHMJ-VOTSOKGWSA-N", "SMILES:Oc1ccc(/C=C/c2cc(O)cc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3132924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIDRNDIVTIDSSU-CSKARUKUSA-N", "SMILES:COc1ccccc1/C=C/c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXVBDZYHUONHR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTTRMAAXIRVDMZ-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccccc2)nn1-c1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRDUBKCTMSBHA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(SC)nn(C(=O)CSc2nnc(CCCOc3ccc(C)cc3C(=O)c3ccc(F)cc3)o2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYZSTCMSQTHJD-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKOHLRMVSCTKRA-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHKZZINQCMHAGZ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=NNc2cccc(-c3nc4ccccc4[nH]3)c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXPLCOPRJODRZ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1c1nc2cc([N+](=O)[O-])ccc2n1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXCMWLHHEUOKQL-UHFFFAOYSA-N", "SMILES:C=C1c2nc3ccccc3n2CC(c2ccc(S(C)(=O)=O)cc2)N1c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBWFUDRJCBDCD-UHFFFAOYSA-N", "SMILES:C=C1c2nc3ccccc3n2CC(c2ccc(S(C)(=O)=O)cc2)N1c1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNJFCLNWRGKUAP-HAVVHWLPSA-N", "SMILES:CC(=O)N1N=C(C)/C(=N\\Nc2cccc(-c3nc4ccccc4[nH]3)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENRGUAZSOWTNZ-SZXQPVLSSA-N", "SMILES:CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc(-c2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMFOKHBPZDFJU-BNIPGBBVSA-N", "SMILES:COc1c2occc2c(OC)c2c(C)c(/C(=N/c3cc(N4CCNCC4)nc(N4CCNCC4)n3)N3CCNCC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXUIFUWBNPCAA-IWIPYMOSSA-N", "SMILES:COc1ccc(N2C(=O)/C(=C/c3cn(-c4ccc(S(C)(=O)=O)cc4)nc3-c3cccc(Cl)c3)NC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZQYOMGKNBZOS-KQWNVCNZSA-N", "SMILES:CS(=O)(=O)c1ccc(-n2cc(/C=C3\\NC(=S)N(c4ccccc4)C3=O)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQFHTHPDTSYKJX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGNHMLGPVIZOE-VULFUBBASA-N", "SMILES:CS(=O)(=O)c1ccc(-n2cc(/C=N/Nc3ccc(S(N)(=O)=O)cc3)c(-c3ccc(Br)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COMKBMNVBVCEFX-LGJNPRDNSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C/c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLFLJYYVZMZEF-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2nc3ccccc3n2C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDAXAINSFGTQQL-RRAHZORUSA-N", "SMILES:O=C1/C(=N\\Nc2ccccc2Br)C(Nc2ccccc2F)=NN1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODZRBRJFYWCHSW-WMMMYUQOSA-N", "SMILES:COc1ccc(N/N=C2\\C(=O)N(CNc3c(C)cccc3C)N=C2Nc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUZMNCZTMNCGHZ-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccc(C(=O)NNC(=S)Nc3ccccc3)cn2)SC2Nc3ccccc3N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAMXMRODJWSPJH-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)NCc1ccccc1)c1ccc(C2=CN3c4ccccc4NC3S2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHJHSVYCWBHMQI-IKHKOTCUSA-N", "SMILES:Cc1ccc(N/N=C2\\C(=N)N(c3ccc(S(N)(=O)=O)cc3)N=C2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAIASHUPOJOEI-NGOZOIBASA-N", "SMILES:N=C1/C(=N\\Nc2ccc(Cl)cc2)C(N)=NN1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBASZYFNPJOYPZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CSc2nc3cc(F)c(Oc4ccc(F)cc4)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBQXGCHSPQWBZ-UFFVCSGVSA-N", "SMILES:CSc1nn(-c2ccc(S(C)(=O)=O)cc2)c2ncnc(NCC(=O)/N=C/c3ccco3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KILFGWWAJWGXRS-UHFFFAOYSA-N", "SMILES:CCOc1cc(C)nn1C(=O)CNc1ncnc2c1c(C)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNKJLBMRIQJSZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZFSDYNQLFGJKX-LFVJCYFKSA-N", "SMILES:COc1ccc(/C=C2/SC(=S)C(Nc3nc4c(cnn4-c4ccccc4)c(=O)n3-c3ccccc3)C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAORRMPCCHXHJL-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)n(C(=O)c2ccccc2)c2ccc(S(C)(=O)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOQAIMZTKXXRX-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)n(C(=O)c2ccc(Cl)cc2)c2ccc(S(C)(=O)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDZJVRRTBORZMN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSFUFWKSHKBNL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc3cc(F)ccc3n2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNHFPMYIGMUHGL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CSc2nc3cc(F)c(-c4ncn[nH]4)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL131820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRGNKRNZLHINT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAWFHMGCKIAVEL-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVNYKVQGHCAQY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSOLIUGYNSIONV-UHFFFAOYSA-N", "SMILES:CC(=O)N1NC(c2ccccc2)=CC1c1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOMQKDXESCMJOF-BCJTWVECSA-N", "SMILES:COc1ccc(C2=NNC(S)C2N(CN2C(=O)/C(=C\\c3nnc(-c4ccc(-c5ccc(OC)cc5)cc4)s3)c3ccccc32)C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDYJZPBAXXLNTJ-IMRQLAEWSA-N", "SMILES:CC(=O)N(CN1C(=O)/C(=C\\c2nnc(-c3ccc(-c4ccncc4)cc3)s2)c2ccccc21)C1C(c2ccc(O)cc2)=NNC1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKGQMMBPLFFKI-UHFFFAOYSA-N", "SMILES:CC(=O)CSc1n(C)c(C)c(C)[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1187032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLITXBUXQZTRP-UHFFFAOYSA-N", "SMILES:CC(=O)CSc1n(C)cc[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXNMIAYZTFCIOW-UHFFFAOYSA-N", "SMILES:Cc1c(C)[n+](C)c(SCC(=O)CSc2nnnn2C)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1181839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSSMDVCMCOVRQK-UHFFFAOYSA-N", "SMILES:CC(=O)CSc1n[n+]2c(C)csc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZGYLAYXBGODOV-UHFFFAOYSA-N", "SMILES:CC(=O)CSc1n(C)c(-c2ccccc2)c(-c2ccccc2)[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILZQFAVBOKECT-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCc1cc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5286863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZQURNFPUYOHDR-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCc1cc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5275210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTAFYINAQIGZCR-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCCCCc1cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REUGOYCBWLGDET-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCc1cc1=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDQKWGNEXFXDZ-AYYIZTPMSA-N", "SMILES:C[C@@H]1CCC/C=C\\C(=O)Cc2cc(O)cc(O)c2C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL152117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATDWJOOPFDQZNK-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFEXYZXEVCTAKO-UHFFFAOYSA-E", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)O)c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)O)cc(OCCOc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc(OCCOc6cc(OS(=O)(=O)[O-])cc7oc(-c8ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c8)c(OS(=O)(=O)[O-])c(=O)c67)c5c(=O)c4OS(=O)(=O)[O-])ccc3OS(=O)(=O)[O-])c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPFLDNYUGWPUCE-UHFFFAOYSA-C", "SMILES:O=C1C(OS(=O)(=O)[O-])=C(c2ccc(OS(=O)(=O)[O-])c(OCCCOc3cc(OS(=O)(=O)[O-])cc4oc(-c5ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c5)c(OS(=O)(=O)[O-])c(=O)c34)c2)OC2C=C(OS(=O)(=O)[O-])C=C(OCCCOc3cc(OS(=O)(=O)[O-])cc4oc(-c5ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c5)c(OS(=O)(=O)[O-])c(=O)c34)C12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAZYOEQAOTWMPB-MISNKYECSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CC/C=C/C(=O)OC)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZROMXCZWARUGE-FJXYURTLSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CC/C=C/C(=O)OC)NC(=O)c1csc(C)n1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUNOYAAHDLCKM-YPDFCJJDSA-N", "SMILES:CCOC(=O)c1nc(C(=O)N[C@@H](CC/C=C/C(=O)OC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(N)=O)C(C)CC)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDPNETWRWCZCLA-JBAVADMXSA-N", "SMILES:CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC/C=C/C(=O)OC)NC(=O)c1nc2ccccc2[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVGGTSNXDSZMCD-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc2c(S(=O)(=O)NCCCCCN)cccc12"]}
{"name": "Coagulation factor XIII A chain", "xref": ["CHEMBL.TARGET:CHEMBL5291510"], "id": "UniProtKB:P12260", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDSXDXRTLXZTCA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCCOC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPLHRVTZSVWSH-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCCNC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APAHKELLCHULLY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCCCC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPLNOXWPWAKSJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCCCCCCCCC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIAXUXSRAPVMFB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)CCCCCC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCZBANVZKRMBD-UHFFFAOYSA-N", "SMILES:O=C(CCl)CCCCCNS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWWVJUZPSBGEFL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCCCCCC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCWDMYQBZRUGM-ZTPUOJGYSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSMWHKXZYJJHE-AFSLGNRESA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL288542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJDCULZDFWMJC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)Oc2ccc(Br)cc2C1C(C#N)C(=O)OCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1094250", "category": ["biolink:ChemicalEntity"], "name": "1,1',6,6',7,7'-HEXAHYDROXY-3,3'-DIMETHYL-N5-((R)-2-PHENYLPROPYL)-N5'-((R)-2-PHENYLPROPYL)-2,2'-BINAPHTHYL-5,5'-DICARBOXAMIDE (ATROPISOMERIC MIX)", "xref": ["InChIKey:RAYNZUHYMMLQQA-ZEQRLZLVSA-N", "SMILES:Cc1cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPXRVGQCOVEUKF-UHFFFAOYSA-N", "SMILES:CC1=C(C2=C(C)C(=O)C3C(C(C)C)=C(O)C(O)=CC3C2=O)C(=O)c2cc(O)c(O)c(C(C)C)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLNQCPCUACXLM-UHFFFAOYSA-N", "SMILES:CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4102399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBFUJJRYOMMRA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1Nc1nnc(-c2c[nH]c3ccccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSMUVCMXQTXND-UHFFFAOYSA-N", "SMILES:COc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4530348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDTLPRMIVMUNSD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)NCCN2C(=O)c3cccc4c(Sc5ccc(Br)cc5)ccc(c34)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCIXIZPGKQODTC-UHFFFAOYSA-N", "SMILES:O=C1CCN1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHOWKHPVWVNKPP-GORDUTHDSA-N", "SMILES:COc1cc(/C=C/c2cc(O)cc(O)c2Cc2ccc(O)c(O)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL16121", "category": ["biolink:ChemicalEntity"], "name": "DODECYL GALLATE", "xref": ["InChIKey:RPWFJAMTCNSJKK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1"], "synonym": ["E312"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFMWNYBHBAYHM-IXHQRXDZSA-N", "SMILES:CS[C@@]1(C)C(=O)N2[C@H]3N(c4ccc5oc6cc(=O)c(N)c(C(=O)O)c-6nc5c4C(=O)O)c4ccccc4[C@@]3(c3c[nH]c4ccccc34)[C@H](O)[C@]2(SC)C(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5284422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVYIRKDIZQMNJ-ZESILTTHSA-N", "SMILES:COC1=CC(=O)c2c(O)c3c(c4c2[C@]12CC(=O)C[C@H]2[C@@]1(C[C@H](O)[C@H](O)CO1)O4)C[C@](C)(O)[C@H](O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLSOOYDKHUEZQR-DGCLKSJQSA-N", "SMILES:CCc1c(OC)cc2c(c1O)C(=O)C[C@@H](OC)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5276255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWLXDUMDNNZYEJ-NVXWUHKLSA-N", "SMILES:COC(=O)[C@H]1CCCN1C[C@@H](O)c1c(OC)cc2c(c1O)C(=O)c1cc(O)c(C)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBZBAXHTAZAJZ-FPVGNUTFSA-N", "SMILES:C[C@@]12CC[C@H](O)CC1=C(O)C(=O)c1cc3c(cc12)C(=O)C1=C(C3=O)S(=O)(=O)CCN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZUJERGMGUKNHG-QFIPXVFZSA-N", "SMILES:C=C1C[C@@H](c2ccc(O)cc2O)Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTBLOQZNNCMCCJ-DWBLKSQLSA-N", "SMILES:CNC(=O)[C@H]1[C@@H](OC)C2(O)c3ccccc3NC(=O)[C@@]2(C(=O)N[C@@H](CCC(=O)OC)C(=O)C=C(C)C)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3745836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVCWRAFPVCGPA-BPGUCPLFSA-N", "SMILES:CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)C1[C@H](O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYSSGAXNZYOJX-UHFFFAOYSA-N", "SMILES:COc1c(C(C)=O)ccc2cc3c(c(O)c12)C(=O)C(C)(C)C(=O)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGJSPCDPWVQJIE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAGYNEUHZWFYTF-UHFFFAOYSA-N", "SMILES:Brc1cc(Nc2ccc3nonc3c2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTVYIYQKAUROMK-UHFFFAOYSA-N", "SMILES:COC1=C(OC)C(=O)C(CCC(C)C)=C(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWAHGNYEIVZIL-UHFFFAOYSA-N", "SMILES:COC1=C(OC)C(=O)C(Nc2ccccc2)=C(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIKHONTTKPNNQ-UHFFFAOYSA-N", "SMILES:COC1=C(OC)C(=O)C(Nc2ccccc2)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVBHBVHFYPGANN-UHFFFAOYSA-N", "SMILES:COC1=C(OC)C(=O)C(Nc2ccc(Cl)cc2)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULIGLHKMDRROA-UHFFFAOYSA-N", "SMILES:COC1=C(OC)C(=O)C(Nc2cccc(NC(=O)Nc3ccccc3)c2)=C(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAFDXEXXQIAQTR-UHFFFAOYSA-N", "SMILES:Nc1oc2cnccc2c1Nc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYFFUUIFUDPRN-UHFFFAOYSA-N", "SMILES:NOCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVDSZIMBLANKS-KRFIBBNCSA-O", "SMILES:CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(c3C3C(=O)c5[nH]cc(CCN)c5C(=O)C32)CC[N+]4(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMVOEUPJJFCHH-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1C)C(=O)C1=C(C2=O)C(O)(C(=O)OC)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSHKOCJCAJWEW-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1C)C(=O)C1=C(C2=O)C(OC)(C(=O)OC)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWPSWILWXHEXFW-UHFFFAOYSA-N", "SMILES:CCc1c(C)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)C(=O)C(C)(C(=O)OC)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL373777", "category": ["biolink:ChemicalEntity"], "name": "BRASSININ", "xref": ["InChIKey:QYKQWFZDEDFELK-UHFFFAOYSA-N", "SMILES:CSC(=S)NCc1c[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL377236", "category": ["biolink:ChemicalEntity"], "name": "CAULERPIN", "xref": ["InChIKey:PVWALMHWUOWPPA-HCOJNGAVSA-N", "SMILES:COC(=O)/C1=C/c2c([nH]c3ccccc23)/C(C(=O)OC)=C\\c2c1[nH]c1ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQKYWMOMQWBER-UHFFFAOYSA-N", "SMILES:NC(Cc1coc2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAUUPDQWKHTCAX-UHFFFAOYSA-N", "SMILES:NC(Cc1csc2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGIZNIJWEJEUHD-UHFFFAOYSA-N", "SMILES:CC12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1C(NCCS1(=O)=O)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQCTKBFSUQAPR-UHFFFAOYSA-N", "SMILES:CC12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1NCCS(=O)(=O)C1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGRCRNUPEOYDNI-UHFFFAOYSA-N", "SMILES:COC1=NSC2C(=O)c3cccc(O)c3C(=O)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKHLDDWTBJNAM-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1c(C(=O)c2ccccc2[N+](=O)[O-])[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRIHRZWAMVDHG-UHFFFAOYSA-N", "SMILES:O=C(NC(c1cccc(Br)c1)n1ccnc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL315708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBKCOLSUUYOHT-UHFFFAOYSA-N", "SMILES:c1ccc(-c2[nH]nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKNLLALXRSPTR-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2n[nH]c3ccccc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDWHWHNSNXLWPZ-UHFFFAOYSA-N", "SMILES:c1cncc(-c2n[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPNEPVZJQRSAM-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NNC(=O)c2n[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZCZVHTWLRKBSU-UHFFFAOYSA-N", "SMILES:O=C(NNc1ccccc1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBADQKZGAMOSR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLUGIJUSZHXJK-UHFFFAOYSA-N", "SMILES:[Br-].c1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWQAUVVARRYRY-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXUDDHFDFGYKZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYAVVAOTNLXBPS-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2ccc3c[n+]4ccccc4cc3c2)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSXKPIAAZPMSK-UHFFFAOYSA-M", "SMILES:Nc1ccc2cc3cccc[n+]3cc2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZORVVMHSKGVTRB-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOXYSCLWDDVCV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)NNc3ccc(Br)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPAUYVEJJSOQF-UHFFFAOYSA-N", "SMILES:CC1CC(C)CN(c2ccc(C(CC(=O)O)C(F)(F)F)cc2NC(=O)Nc2ccc(C#N)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEUKNRKEYICTH-UHFFFAOYSA-N", "SMILES:Nc1ccc(O)c2ncccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL571661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXAKDWFCHQCDT-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURAQQLBRIPPPF-UHFFFAOYSA-N", "SMILES:CCNc1ccc(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBVXHJLGAZUFPJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)oc2c1C(=O)C(OC)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHUVIOUEAOATEB-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2oc(C)c(CO)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKEVWHCKEBGQQH-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2c(oc(C)c2CO)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKZOSNRCQVQCGZ-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2sc(C)c(CO)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL78321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNGGVGRGMBLMA-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2c(c(CO)c(C)n2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2385355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTLVFDXQJMUZCL-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2c(c(CO)nn2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAFPSMSBUQERDO-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2c(nc(COc3ccc([N+](=O)[O-])cc3)n2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHKYZDABKYYMY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cc2cn(Cc3cnc4scc(-c5ccc(Br)cc5)n34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABAIDBCLRCONC-UHFFFAOYSA-N", "SMILES:O=C(NCc1cnc2scc(-c3ccc(Br)cc3)n12)n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWWOQJXJPHGEAC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCCNC(=O)c1n[nH]nc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLURFHLJXJMLO-PSASIEDQSA-N", "SMILES:COc1ccc2c(c1)C(=O)C1=C(C2=O)[C@@H](C)O[C@@H](CC(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGXPWJMJQUARQ-GDBMZVCRSA-N", "SMILES:COc1cccc2c1C(=O)C1=C(C[C@H](Cn3cc(-c4ccccc4)nn3)O[C@@H]1C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPDITIHMIIHRE-UHFFFAOYSA-N", "SMILES:CCN(c1ncc(C2(C(=O)O)CCC2)cc1Nc1ccc(Cl)cc1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUKGVSRJVUOPA-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)nc2onc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPIFGVIJVOGIGI-UHFFFAOYSA-N", "SMILES:C/N=C(N)/N=C(\\N)Nc1cc2ccccc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUTHYODOZUVBFD-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cc(CS(=O)(=O)C3c4ccccc4-c4ccccc43)nn2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKVCTOBWIAGOMR-ACCUITESSA-N", "SMILES:COc1cc(/C=C/C(=O)CCCCc2ccccc2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4545194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXELARZTKDBEKS-UHFFFAOYSA-N", "SMILES:COc1cc(CCC(=O)CCCCc2ccccc2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL465203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRQFTHYBLYLSS-RTBURBONSA-N", "SMILES:COc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(OC)c(OC)c2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5279368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEMSFXMWZYRLOI-RJHNKFTKSA-N", "SMILES:COc1ccc(CC[C@H](O)C[C@@H](O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDGNRLPAWXKPB-FQMXMGHCSA-N", "SMILES:COc1ccc(/C=C/[C@H](O)C[C@@H](O)CCc2ccc(OC)c(OC)c2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5291402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAODXGIORNCIPW-DVFNVHRYSA-N", "SMILES:COc1ccc(/C=C/[C@@H](C[C@@H](O)CCc2ccc(OC)c(OC)c2)OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAODXGIORNCIPW-JSLNGHMTSA-N", "SMILES:COc1ccc(/C=C/C(C[C@H](O)CCc2ccc(OC)c(OC)c2)OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQTVLAHXQZBDLN-AZEJXNSASA-N", "SMILES:COc1ccc(/C=C/C=C/C(=O)/C=C/c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKDVMZOMVJQUDC-ZZXKWVIFSA-N", "SMILES:COc1cc(/C=C/C(=O)CC(=O)CC(O)c2ccc(O)c(OC)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL7927", "category": ["biolink:ChemicalEntity"], "name": "FAUC 113", "xref": ["InChIKey:XVPRVMIFXXOEFR-UHFFFAOYSA-N", "SMILES:Clc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STIRDGXSGQTCAJ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL346389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFHNEZNXKJHFB-UHFFFAOYSA-N", "SMILES:O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTNHENHQSIAEAI-UHFFFAOYSA-N", "SMILES:OCc1[nH]c2ccccc2c1CN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVFMRRCRSTMJH-UHFFFAOYSA-N", "SMILES:N#Cc1[nH]c2ccccc2c1CN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARUCCZQJHBFSU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1[nH]c2ccc(F)cc2c1CN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWVIJESEEXGVPP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL143761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEYSGMPQWOSGTB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]c(CN3CCN(c4ccc(F)cc4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCVTMULKVMAMX-KGENOOAVSA-N", "SMILES:O/N=C/c1c(CN2CCN(c3ccccc3)CC2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKOCGOXTVCIACM-UHFFFAOYSA-N", "SMILES:Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHDWFXSMLKLNB-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHJZTUJVFHKQH-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)N=C(N1CCN(c3ccccc3)CC1)CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWHZVOJOLXLJOY-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)N=C(N1CCN(CCCOc3ccccc3)CC1)c1ccccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNRUJNINZDXFA-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)N=C(N1CCN(CCCCc3ccncc3)CC1)c1ccccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWRRIGJKZVAYOK-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)N=C(N1CCN(CCCCc3ccccc3)CC1)c1ccccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKWPMHXVKZSRAO-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL66227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWNESOGWFJDFR-PBHICJAKSA-N", "SMILES:Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL146246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNUQCGWXPNGORO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL320597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDQVRCFIJMWOR-LJQANCHMSA-N", "SMILES:Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL351963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKGUQYWMBPDPR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(C3CCc4cccc5c4N(CC5)C3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL305276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFVYLYYQFBQCZ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL38262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQEPZBNLBWDIRZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMAKDIDFJTXEL-UHFFFAOYSA-N", "SMILES:Cc1c(C2CCN(CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2005767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBYJIVNHTWIKJQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(OCC2CN(Cc3c[nH]c4ncccc34)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVAGCOURADIXBK-RTBURBONSA-N", "SMILES:CN(C)[C@@H](CNC(=O)NC[C@H]1Cc2ccccc21)CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHPDBTYGMOOOR-UHFFFAOYSA-N", "SMILES:Oc1cccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIASEHRDTBGCHW-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQMCVDGOIRQTC-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGMLOQOHAYKVJN-UHFFFAOYSA-N", "SMILES:OCc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHMWBCWXDURPQX-UHFFFAOYSA-N", "SMILES:CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNVDCQLMHFFYCU-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(Cc2ccc3cccccc2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1616116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KABDATZAOUSYES-UHFFFAOYSA-N", "SMILES:Cc1ncc(CN2CC=C(c3ccccc3)CC2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYKHMWVVGNMFGN-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUBEIKPCDKCPU-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Br)cc2)CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPCXZFSRSVMMW-UHFFFAOYSA-N", "SMILES:Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL309372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGYFXDAOZBGPF-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45244", "category": ["biolink:ChemicalEntity"], "name": "PD-168,077", "xref": ["InChIKey:DNULYRGWTFLJQL-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL362542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPAGYDFLTXLPDA-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN2CCN(c3ccccc3C#N)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPAGYDFLTXLPDA-FSTZCBHRSA-N", "SMILES:[3H]c1ccc(N2CCN(CC(=O)Nc3c([3H])cc([3H])c(C)c3[3H])CC2)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJAXDNQQFMPNAV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKYJQPHFTVWOU-ZDUSSCGKSA-N", "SMILES:O=c1cc(CNC[C@@H](CO)Cc2ccsc2)[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDMWQYWHACQHO-ZQIUZPCESA-N", "SMILES:CC(C)N1C[C@H](NC(=O)N2Cc3ccccc3[C@@H]2C)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOSOPIVYJSAUGK-MEDUHNTESA-N", "SMILES:CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc3ccc(Br)cc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSIADCQRJWOKCW-NSHDSACASA-N", "SMILES:Clc1ccc(-n2cc(CNC[C@@H]3CCCOC3)nn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBDWBLMTSCWWNJ-SJORKVTESA-N", "SMILES:CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)c(C)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLEPSJGJESSGQG-NSHDSACASA-N", "SMILES:CCOC(=O)c1sc2[nH]cn/c(=N\\[C@H]3CCN(CC)C3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDSADAPSRSSJF-MRXNPFEDSA-N", "SMILES:CCOC(=O)c1nn(-c2ccccc2)cc1CN(C)[C@@H]1CCSC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBBKBBSCLZZZQQ-UHFFFAOYSA-N", "SMILES:COc1cccc(CCC2=NCCN2CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1575074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWWTRQNNRNTPU-ABBNZJFMSA-N", "SMILES:CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\\C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4078100", "category": ["biolink:ChemicalEntity"], "name": "AZD-5153", "xref": ["InChIKey:RSMYFSPOTCDHHJ-GOSISDBHSA-N", "SMILES:COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)CC3)nn12"], "synonym": ["Azd 5153", "Azd-5153", "Azd5153", "AZD-5153", "AZD5153"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LASJSIMHDHTROE-GFCCVEGCSA-N", "SMILES:CC(C)C[C@@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWOULRCUFTYSHG-LBPRGKRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1F)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDLWCFVSYYOGO-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)O)C(C)NC(=O)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICBFITLMTVXRNS-LBPRGKRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBNFPAABYCYHAL-ZDUSSCGKSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOZYFCIIJWGMOW-HNNXBMFYSA-N", "SMILES:O=C(CNC(=O)Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPXPMPKLRLKKOS-NSHDSACASA-N", "SMILES:CCC[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWISWWNAZRDNL-VWLOTQADSA-N", "SMILES:COc1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3ccc(O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWISWWNAZRDNL-RUZDIDTESA-N", "SMILES:COc1ccc(NC(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3ccc(O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJBNUROMRNQZJR-VWLOTQADSA-N", "SMILES:COc1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3cccc(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJBNUROMRNQZJR-RUZDIDTESA-N", "SMILES:COc1ccc(NC(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3cccc(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDMOEAQWTUYFV-DEOSSOPVSA-N", "SMILES:COc1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC2(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDMOEAQWTUYFV-XMMPIXPASA-N", "SMILES:COc1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC2(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGJOYPDCYYKJKB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(C#N)c(C)n(CC(=O)Nc3ccc(Br)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRAJYWRFOREGSM-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)[nH]cc(-c2ccccc2)c1=O)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UANCQUKKJVFYBQ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2c(C)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYVDLUSJQJLKN-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2c(C)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYJTYRBFYHVJQJ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2c(-c3ccccc3)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMCPEBDJPMQGI-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMCPEBDJPMQGI-OAHLLOKOSA-N", "SMILES:COc1cccc(Cc2cc(C)nn([C@H](C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMCPEBDJPMQGI-HNNXBMFYSA-N", "SMILES:COc1cccc(Cc2cc(C)nn([C@@H](C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJTGSYZLMLQCLE-CVDCTZTESA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)NC2(c3ccc4cc(OC)ccc4c3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIUVXKSLUPIBR-KSSFIOAISA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYFGKINFDGJBM-JTSKRJEESA-N", "SMILES:COc1cc(F)c([C@@H]2CN(CC3CC3)C(=O)[C@H]2NC(=O)NC2(c3cccc(C)n3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRASHXLBDMKLOM-UGSOOPFHSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)NC2(c3cccc(C)n3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQIAMXGEROWORI-SJCJKPOMSA-N", "SMILES:Cc1cccc(C2(NC(=O)N[C@@H]3C(=O)NC[C@H]3c3c(F)cc(Br)cc3F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUALUDYBZOYKM-SJCJKPOMSA-N", "SMILES:Cc1cccc(C2(NC(=O)N[C@@H]3C(=O)NC[C@H]3c3c(F)cc(Cl)cc3F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBGZUUXZJGDMAS-LJQANCHMSA-N", "SMILES:CP(C)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNJTDIYWWQMSG-MRXNPFEDSA-N", "SMILES:CP(C)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3csc(Cl)c3)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTLMDKSLNKNQJK-QFIPXVFZSA-N", "SMILES:CC1(C)CN(c2ccc(-c3ccccc3P(C)(C)=O)c(F)c2F)C(=O)[C@@H]1NC(=O)Nc1cnc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMRGOUYTUNLKKY-OAHLLOKOSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1F)N[C@@H]1CCN(c2ccc(-c3cnn(C(F)F)c3)c(F)c2F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDKGTLKMPMSTQV-PYFQUHSISA-N", "SMILES:CP(C)(=O)c1ccccc1-c1ccc(N2CC(CO)[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPHVSMCTVGYRRO-DEOSSOPVSA-N", "SMILES:CP(C)(=O)c1ccccc1-c1ccc(N2CC3(CC3)[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURUWPLYNJDKEY-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1-c1ccc(N2CCCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURUWPLYNJDKEY-QFIPXVFZSA-N", "SMILES:NC(=O)c1ccccc1-c1ccc(N2CCC[C@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURUWPLYNJDKEY-JOCHJYFZSA-N", "SMILES:NC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWSBQAKQNWBKS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCCN(c2ccc(-c3ccccc3F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWSBQAKQNWBKS-QFIPXVFZSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCCN(c2ccc(-c3ccccc3F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWSBQAKQNWBKS-JOCHJYFZSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(-c3ccccc3F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZAVTMVHBXIDH-QFIPXVFZSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCCN(c2ccc(-c3ccccc3C(=O)O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZAVTMVHBXIDH-JOCHJYFZSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(-c3ccccc3C(=O)O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRIFPZZZLSRMGA-JOCHJYFZSA-N", "SMILES:NC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFLVSTGHVZRVMH-JOCHJYFZSA-N", "SMILES:NC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJYNWIVHSSCSHL-JOCHJYFZSA-N", "SMILES:COc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4C(N)=O)cc3)C2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUAZEKDDLOMPJC-JOCHJYFZSA-N", "SMILES:O=C(Nc1ccccc1F)N[C@@H]1CCCN(c2ccc(-c3ccccc3F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWSIQJYGLUKAM-HXUWFJFHSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(N3CC4(COC4)C3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWSIQJYGLUKAM-FQEVSTJZSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCCN(c2ccc(N3CC4(COC4)C3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRRSRDSAQPZOO-GOSISDBHSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cn1)N[C@@H]1CCCN(c2ccc(N3CC4(COC4)C3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAUDCMUTODUDII-JOCHJYFZSA-N", "SMILES:CC(=O)N1CCN(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGARTUDBMYNWMC-OAQYLSRUSA-N", "SMILES:CN1CCN(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOOUSUSUVULHW-OAQYLSRUSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(N3CCCCC3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWRHOJTZUSRTJE-HXUWFJFHSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(N3CCOCC3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOMWLMHUQWPLO-QGZVFWFLSA-N", "SMILES:CS(=O)(=O)NCC1(c2ccc(N3CCC[C@@H](NC(=O)Nc4cnc(Cl)cn4)C3=O)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDDRAJKHGUOCAL-HXUWFJFHSA-N", "SMILES:CS(=O)(=O)NCC1(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTIVMCQPYSRAJ-HXUWFJFHSA-N", "SMILES:CS(=O)(=O)NCC1(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(C(F)(F)F)nc4)C3=O)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAIFCCGTAIEYGT-OAQYLSRUSA-N", "SMILES:O=C(Nc1ccc(Cl)cn1)N[C@@H]1CCCN(c2ccc(C3(CN4CCOCC4)CC3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNVLEWVBOHNNNK-FUHWJXTLSA-N", "SMILES:CS(=O)(=O)NCC1(c2ccc(N3C[C@@H](O)C[C@@H](NC(=O)Nc4ncc(Cl)cc4F)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYCLTWVNRWLPF-LJQANCHMSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3cnc(Cl)cn3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POGQSYOBRNXNIG-OAQYLSRUSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)nc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOSIFPMBGPRRNJ-HSZRJFAPSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BURKKFWHPLNTHR-HXUWFJFHSA-N", "SMILES:COc1cc(-c2ccccc2NS(C)(=O)=O)ccc1N1CCC[C@@H](NC(=O)Nc2ncc(C(F)(F)F)cc2F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPEZWOPFRXAYNB-HXUWFJFHSA-N", "SMILES:Cc1cnc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXGFRCAYDKCZPZ-DJJJIMSYSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2cc(-c3ccc(C(F)F)cc3)on2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFUCDGWBZZLKIU-KKSFZXQISA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Oc4ccc(C(F)(F)F)nc4)cc3)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZOSRLDMRAAASX-KSSFIOAISA-N", "SMILES:COc1cc(F)c([C@@H]2CN3CCON=C3[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBXVPYPZPDWPPA-WMZOPIPTSA-N", "SMILES:COc1ccc([C@@H]2CN3C(=O)CON=C3[C@H]2NC(=O)Nc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFLJUHNBNSBLLK-YOEHRIQHSA-N", "SMILES:O=C(Nc1ccc(F)cc1)N[C@@H]1c2nnnn2C[C@H]1c1cc2c(cc1F)OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJVJSESHBIFOGC-KRWDZBQOSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)Nc2ccc(Cl)cc2)c2nnn(CCO)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHVMSHJUCAWEX-IBGZPJMESA-N", "SMILES:CCc1ccc(C[C@H](NC(=O)Nc2ccc(Cl)cc2)c2noc(N(C)CCO)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKNMFDTDNNOOC-KRWDZBQOSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)Nc2ccc(Cl)cc2)c2noc(CCO)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASBYKBTURIXZGK-SFHVURJKSA-N", "SMILES:CCc1ccc(C[C@H](NC(=O)Nc2ccc(Cl)cc2)/C(N)=N/OCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWZFWAKDXDFCQH-INIZCTEOSA-N", "SMILES:N/C(=N\\C(=O)CCO)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPPSMCJVLPCJW-OAHLLOKOSA-N", "SMILES:COc1ccc(C[C@H](CO)NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUJKCOEDZNOPL-KXBFYZLASA-N", "SMILES:COc1ccc(NC(=O)N[C@@H]2/C(=N/OCCO)NC[C@H]2c2c(F)cc(OC)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPFGVITNMTKPC-ROUUACIJSA-N", "SMILES:CCN1C[C@@H](c2ccc(OC)cc2)[C@H](NC(=O)Nc2ccc(F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMKNTZWWLQAOJ-YJBOKZPZSA-N", "SMILES:N#Cc1ccc(NC(=O)N[C@@H]2C(=O)NC[C@H]2c2cc3c(cc2F)OCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLYDOKIRSQSMRT-UHFFFAOYSA-N", "SMILES:Cn1c(C(C)(C)C)c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLPRMORZRATONW-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2oc(C)nc2C(=O)Cc2cnn(Cc3nc(C(C)(F)F)co3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMCHLIFCNVZOU-IAGOWNOFSA-N", "SMILES:COc1ccc([C@H]2CCNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKZWNNAFIDSMX-DYESRHJHSA-N", "SMILES:COc1cc(F)c([C@H]2CCN(CC3CC3)C(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXNANLLKWGXHE-LPHOPBHVSA-N", "SMILES:COc1cc(F)c([C@H]2CCN(CCC(F)F)C[C@@H]2NC(=O)Nc2ccc(Cl)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMWAXAPTBWGUEQ-YADHBBJMSA-N", "SMILES:COc1ccc([C@H]2CCN(c3ccnnc3)C[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWGZKROTZDNFF-XZOQPEGZSA-N", "SMILES:COc1ccc([C@@H]2CCN(Cc3ccccn3)C(=O)[C@@H]2NC(=O)Nc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWGZKROTZDNFF-DHIUTWEWSA-N", "SMILES:COc1ccc([C@H]2CCN(Cc3ccccn3)C(=O)[C@@H]2NC(=O)Nc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCAGRQTQBCFJK-DHIUTWEWSA-N", "SMILES:COc1ccc([C@H]2CCN(Cc3cccnc3)C(=O)[C@@H]2NC(=O)Nc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957115", "category": ["biolink:ChemicalEntity"], "name": "ARENARINE C", "xref": ["InChIKey:SNGVLDNQSXBDPZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c(C(C)=O)nccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5285611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKCDCFEHZVGFL-UHFFFAOYSA-N", "SMILES:C#CCn1c2cc(OC)ccc2c2ccnc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDVVIYXRNCDEQY-UHFFFAOYSA-N", "SMILES:COc1ccc2c3ccnc(C)c3n(CC3CC(c4ccccc4)=NO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJRXWDHWHJZMC-BEFAXECRSA-N", "SMILES:COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2n(C)c2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXIJGUPZJIXTMQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c([nH]c2c1N)C(C)NCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZAAYQWHBGCWJN-UHFFFAOYSA-O", "SMILES:CCOC(=O)[n+]1ccc2c([nH]c3cc(OC)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHPSPRKKTRQQNU-UHFFFAOYSA-N", "SMILES:CC(C)n1c2ccccc2c2cc[n+](-c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUSTXCHVYMQTF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1cc[n+](-c3ccccc3)cc1n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYLORRYICLSBDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-[n+]2ccc3c4ccccc4n(C)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXJDWFVKKAJGD-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2cc[n+](-c3ccc(I)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYDVADIGEZQAHF-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2cc[n+](-c3ccc(Cl)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVMDTXSADLNMJ-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2cc[n+](-c3ccc(Br)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMBBYUYGEOQGLX-UHFFFAOYSA-N", "SMILES:COc1ccc(-[n+]2ccc3c4ccccc4n(C)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVANOXIAOYTXBY-VWERDZHISA-N", "SMILES:O=C1C2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1CCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGKJYYMHPLWVQZ-QIKUIUABSA-N", "SMILES:COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCC4CCN(Cc5ccccc5)CC4)CC(=O)N23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1198993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCJGRMVHAYBWRI-UHFFFAOYSA-P", "SMILES:c1ccc2c(c1)[nH]c1c[n+](CCCCCCCCCCCC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1198953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBLBEGLFURYCBO-UHFFFAOYSA-N", "SMILES:C[n+]1ccc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4cc[n+](C)cc43)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXSJTNLXZJWIFL-UHFFFAOYSA-N", "SMILES:C[n+]1ccc2c3ccccc3n(CCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHKLTXMZKQMWDB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(F)(F)F)cc1)c1nccc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGNLJJRFYQTBY-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3nccc4c3[nH]c3ccccc34)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL69507", "category": ["biolink:ChemicalEntity"], "name": "NORMELINONINE F", "xref": ["InChIKey:UDHBHTHWWOQPBW-UHFFFAOYSA-O", "SMILES:C[n+]1ccc2c(c1)[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQYXLLBPBPCNG-UHFFFAOYSA-N", "SMILES:O=c1c2cc(NS(=O)(=O)c3ccccc3OC(F)(F)F)ccc2cc2n1CCc1c-2[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCMMSENDHUPIRC-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2cc[n+](-c3ccc(Br)cc3Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZQUVTLVZJAMJU-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3ccccc31)CC[N+](c1ccc(Br)cc1)=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJAPXFGINNPKO-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3ccccc31)CC[N+](c1ccc(I)cc1)=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5222694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFBLJEWYMXQAKA-UHFFFAOYSA-N", "SMILES:Cc1ccc([N+]2=Cc3c(c4ccccc4n3C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKKITZOSLYEBJO-UHFFFAOYSA-N", "SMILES:CN1c2ccc(OCc3ccccc3)cc2C(=O)N2CCc3c([nH]c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJJLRVDUFIKWCM-LEKKXJIISA-O", "SMILES:C=C[C@H]1C[N+]2=C(C[C@@H]1/C(=C\\OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYUCVICBPYPRE-RUPNCQHISA-N", "SMILES:C=C[C@H]1[C@@H](/C(=C/O)C(=O)OC)C[C@H]2c3[nH]c4ccccc4c3CCN2[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5315772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBVEVKMVDYNPQ-UHFFFAOYSA-N", "SMILES:Cc1cc2cc3n(c(=O)c2cn1)CCc1c-3[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3559488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYTGDNHDOZPMIW-VBNZEHGJSA-O", "SMILES:COC(=O)C1=CO[C@@H](C)[C@H]2C[n+]3ccc4c([nH]c5ccccc54)c3C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL602937", "category": ["biolink:ChemicalEntity"], "name": "FASCAPLYSIN", "xref": ["InChIKey:WYQIPCUPNMRAKP-UHFFFAOYSA-O", "SMILES:O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL472788", "category": ["biolink:ChemicalEntity"], "name": "RUTAECARPENE", "xref": ["InChIKey:TZGQRNCWGBGNCJ-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CN1CCc3c([nH]c4ccccc34)C1=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWYDBOHLFCMJNH-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCC1)Nc1ccc2c(c1)CN1CCc3c([nH]c4ccccc34)C1=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAAJJZNAFKAMK-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3262489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKHKOTPYNYYBTG-UHFFFAOYSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)CN1CCc3c([nH]c4ccccc34)C1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1272322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMYVRIXJVGPBJQ-IBGZPJMESA-N", "SMILES:COc1ccc2cc(-c3cn(C[C@@H]4Cc5c([nH]c6ccccc56)CN4)nn3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHEXTCXTBBPBOL-UHFFFAOYSA-N", "SMILES:N#CCn1c2ccc(O)cc2c2c3c(n4cccc4c21)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMCLQJYWHTYSBR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c(C(F)(F)F)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYYCGVKTZWCBB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c(Cl)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQLTQRHIJBENP-UHFFFAOYSA-N", "SMILES:COc1ccc2c3ccnc(C)c3n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCMUDBBTVAEDG-UHFFFAOYSA-N", "SMILES:CCCn1c2cc(OC)ccc2c2ccnc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTHNVHJIFDQKKE-UHFFFAOYSA-N", "SMILES:CCCCn1c2cc(OC)ccc2c2ccnc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMKOBFAGMGYOS-UHFFFAOYSA-N", "SMILES:COC(=O)CCn1c2cc(OC)ccc2c2ccnc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBLWSDAIDNNWGE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)[nH]c1c(C)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEFIYEBVHUPDRC-UHFFFAOYSA-N", "SMILES:Cc1nccc2c1[nH]c1cc(C(=O)O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADUNOLUKPYSPN-UHFFFAOYSA-N", "SMILES:Cc1nccc2c1[nH]c1cc(CO)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTLRUCLFXMIBM-UHFFFAOYSA-N", "SMILES:COCc1ccc2c(c1)[nH]c1c(C)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSNINGPDSUBHZ-BZQDAOPOSA-N", "SMILES:Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\\CCCCN5CCC3[C@]3(C[C@@H]6/C=C\\CCCCN6[C@H]34)C5)nccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL449796", "category": ["biolink:ChemicalEntity"], "name": "ISOVALLESIACHOTAMINE", "xref": ["InChIKey:NTVLUSJWJRSPSM-AHHXMMTISA-N", "SMILES:C/C=C(\\C=O)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1645544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSMSTGKQFHUBO-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc2c(c1)[nH]c1c(C)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1645545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRVCIYIVKIFEPH-UHFFFAOYSA-N", "SMILES:Cc1nccc2c1[nH]c1cc(OCC(C)C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1645547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTZUQYMIOUZBFU-UHFFFAOYSA-N", "SMILES:Cc1nccc2c1[nH]c1cc(OCCCC(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1645548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNBZXYLKBNCSU-UHFFFAOYSA-N", "SMILES:Cc1nccc2c1[nH]c1cc(OCC3CCCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1645550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVODEZHVACXTKZ-UHFFFAOYSA-N", "SMILES:Cc1nccc2c1[nH]c1cc(OCCc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYUMLJSVYXOUAV-UHFFFAOYSA-N", "SMILES:CCCCn1c2cc(OCc3cn(Cc4ccccc4Cl)nn3)ccc2c2ccnc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRKZBSHTYDDRHP-UHFFFAOYSA-N", "SMILES:CCCn1c2cc(OCc3cn(Cc4ccccc4Cl)nn3)ccc2c2ccnc(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL139947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEWCOMFVOAMVCN-UHFFFAOYSA-N", "SMILES:COc1ccc2c3cc[n+](C)c(C)c3n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFEGIYKTVGATBR-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(n(C)c2c1)C(C)=[N+](C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRCICBXWGKYFB-YJBOKZPZSA-N", "SMILES:COC(=O)C1=CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1C1=CCOC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4277253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHHILUIXWFXTL-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCc5c([nH]c6ccccc56)C4c4ccc5c(c4)OCO5)o3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOOUBWXLCUYFT-DLBZAZTESA-N", "SMILES:COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2Br)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5278404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOZHQZZVFHCJAX-FXAWDEMLSA-N", "SMILES:COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL164173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFFZFBPUOMXAPD-MUUNZHRXSA-N", "SMILES:O=C(c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDQQWNPWUITYOC-UHFFFAOYSA-N", "SMILES:CCN1C(=O)C2Cc3c([nH]c4ccccc34)C(c3ccc(OC)cc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL138504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBJKKIHTRCECR-UHFFFAOYSA-N", "SMILES:CCCCN1C(=O)C2Cc3c([nH]c4ccccc34)C(c3ccc(OC)cc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNODUJDNCINSB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(C4CCCCC4)C(=O)N32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMFSTZXXFVVGLA-PKOBYXMFSA-N", "SMILES:CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1099245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPHUMYXSRBIEDQ-PKOBYXMFSA-N", "SMILES:CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3Br)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRFKHSBKSOGIJ-CXAGYDPISA-N", "SMILES:CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Br)s3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUKSXSXJBUJERZ-PKOBYXMFSA-N", "SMILES:CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Br)cc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZZIOPRWVMXAJA-PZJWPPBQSA-N", "SMILES:CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Br)cc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKLMMMSBUZKIKA-SIKLNZKXSA-N", "SMILES:C=CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3OC)N2C1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVMOSXCMFTRMH-UHFFFAOYSA-N", "SMILES:CCCCN1CC2Cc3c([nH]c4ccccc34)C(c3ccc4c(c3)OCO4)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFBGNXMISJRKO-UHFFFAOYSA-N", "SMILES:CCCCN1CC2Cc3c([nH]c4ccccc34)C(c3ccc(OC)cc3)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPJODYFRWIXBIM-PCFFTZKOSA-N", "SMILES:O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2022213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZLHEFEULEPHE-XGBAOLAVSA-N", "SMILES:Cn1ccnc1CN1CC[C@@H](N2CC(=O)N3[C@H](c4ccc5c(c4)OCO5)c4[nH]c5ccccc5c4C[C@@H]3C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSCOTKBENDWOIQ-OSKSLMEKSA-N", "SMILES:O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(Cc2ncc[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHSFKZJXSLCQCX-WIISGGPLSA-N", "SMILES:O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(Cc2cccnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVDXKUVGNOBJF-UHFFFAOYSA-N", "SMILES:CC(C)N1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYRHHTFKIXWPJS-UHFFFAOYSA-N", "SMILES:CCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENHFZIYVBWLRO-NZQKXSOJSA-N", "SMILES:CCCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL247073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRXWLWNUSHLDTI-AJTFRIOCSA-N", "SMILES:COc1ccc(N2CC(=O)N3[C@H](c4ccc5c(c4)OCO5)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDZIDZIKJFVPN-UHFFFAOYSA-N", "SMILES:O=C1C2Cc3c([nH]c4ccccc34)C(c3ccc4c(c3)OCO4)N2C(=O)CN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZSVZAQOYFBXEY-UHFFFAOYSA-N", "SMILES:O=C1C2Cc3c([nH]c4ccccc34)C(c3ccc4c(c3)OCO4)N2C(=O)CN1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSBSMPJTDXFRZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cnc(N2CCC(CN3CC(=O)N4C(Cc5c([nH]c6ccccc56)C4c4ccc5c(c4)OCO5)C3=O)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOKZSZOGYUKABQ-KPKJPENVSA-N", "SMILES:O=C(/C=C/c1ccc(N2CC(=O)N3C(Cc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)C2=O)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONSWONOTIBALH-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(N2CC(=O)N3C(Cc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)C2=O)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXISGKHCHKOQBB-HYBUGGRVSA-N", "SMILES:O=C(CCCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKVUVSMTPERBW-PXDATVDWSA-N", "SMILES:O=C(CCCCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVRLCCSJPFSYRG-ATIYNZHBSA-N", "SMILES:O=C(CCCCCCN1CC(=O)N2[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTKHFJNSNSBKT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(N3CC(=O)c4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)nc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL166018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FATPWUGVUTWOQJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL350962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLMMAXIRKZBLPE-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL349204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESZVDFKPQPIGI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL165117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGBHMNDYUQZHBN-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL166025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTPNDTDWYBYXCF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL349947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBJCYDEYXHIFJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)nc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL163905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBTKLEFBLWJDCP-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)CCO4)nc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQWORNBPXKLGA-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c2c(c3c(O)cc(O)cc31)CCn1c-2nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPZLFTZGBNRYRC-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]c3c(c2c1)CCN(CCCCc1ccccc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCIBMWQGZACCDD-UHFFFAOYSA-N", "SMILES:Oc1ccc2c3c([nH]c2c1)CN(CCCCc1ccccc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPKBSOCBDWMOI-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCCN2CCc3c([nH]c4ccccc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4970764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHVNPTMRAQQPID-KRWDZBQOSA-N", "SMILES:c1ccc(C[C@@H]2NCCc3c2[nH]c2ccccc32)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1950985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXDKXUWFBWQRH-IINYFYTJSA-N", "SMILES:O=C1CCC[C@@H]2c3[nH]c4ccccc4c3C[C@@H](CO)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMKPNBVRYPNKH-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1[nH]c1ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVRZNUMIKACTB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL509197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVFFDKKTXYVCCW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIZPCEVRKTWHIE-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1cc2c(cn1)[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2262044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOUOHDNZDRDNJ-UHFFFAOYSA-N", "SMILES:S=C=Nc1cc2c(cn1)[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYYMOMTGZSRFM-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUHKSTINHDUYRO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ncc2[nH]c3ccccc3c2c1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVAWKPXJCDEQG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ncc2[nH]c3ccc(O)cc3c2c1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYMDBFGHCDTBMT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRXDVVALWQGPMW-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1518572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALBKMJDFBZVHAK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454095", "category": ["biolink:ChemicalEntity"], "name": "ABECARNIL", "xref": ["InChIKey:RLFKILXOLJVUNF-UHFFFAOYSA-N", "SMILES:COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(OCc4ccccc4)cc3c12"], "synonym": ["Abecarnil", "Abecarnilo", "ZK-112119"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHJRHDMRNNOSLV-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)OC)nc(C)c2[nH]c3cc(OC)c(OC)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJHOBQVCMYCNA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(C)c2[nH]c3cc(OC)c(OC)cc3c2c1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBFSLFGBCAWAF-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2[nH]c3cnc(C(=O)OC(C)(C)C)cc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1270841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKRRGAJQEMJONC-UHFFFAOYSA-N", "SMILES:CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFTKNTUWDMJOIX-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWXZILKRXSANI-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUNYYFYYWOKOD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2008708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVTIEXKHDRKBSM-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1cnc3c4cccnc4[nH]c3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXWKGHDRQNABH-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1cnc3c4ccncc4[nH]c3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPAODQAWVMEXKR-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(cn1)[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWHWWDIFGNCLV-UHFFFAOYSA-N", "SMILES:Cn1c2ccc(F)cc2c2c(C(=O)N3CCCC3)cn(-c3ccccc3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMJWOGZKNQVBI-UHFFFAOYSA-N", "SMILES:Brc1cccc2[nH]c3c(c12)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPZWHBCLJCKHGZ-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]c3c(c12)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXQCJHWXUVCED-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2c(n(CCCCN3CCN(c4ccccc4OC)CC3)c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNCSLQCBKBXPG-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3c2[nH]c2c(C)c(C)ccc32)c(Br)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL96480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODXWUVNDEWRVGP-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXRNSJLIZZEFJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3c2[nH]c2cccc(I)c32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQRFZBRKKQJRF-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3c2[nH]c2cccc(SC)c32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTSATDFWHUGLE-UHFFFAOYSA-N", "SMILES:CCc1cccc2[nH]c3c(c12)CCNC3Cc1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBXZLYOFMDWWSL-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3c2[nH]c2cccc(C)c32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGANJOHHVPOURX-UHFFFAOYSA-N", "SMILES:c1ccc2c(CC3NCCc4c3[nH]c3ccccc43)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSJYFVNZQEQDG-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL96427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWVPJVRORRVEB-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3c2[nH]c2c(C)cc(C)cc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPUOFMXABMTJJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3c2[nH]c2c(F)cc(F)cc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWOYLIJQLSNRRN-UHFFFAOYSA-N", "SMILES:CC1=NCCc2c1[nH]c1ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL338115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBHRMFLDKKSCT-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN=C3C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AESLFLSZEVKRCB-UHFFFAOYSA-N", "SMILES:Oc1ccc2[nH]c3c(-c4c[nH]c5ccccc45)nccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZPUSPUBLDWGKU-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(-c4cn(C)c5ccccc45)nccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBKLIRZVPLFTIV-UHFFFAOYSA-N", "SMILES:c1ccc2cc(-c3nccc4c3[nH]c3ccccc34)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3309924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGIMCDMIYGVEHU-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3nccc4c3[nH]c3ccccc34)c[nH]c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL6591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOCVYNVGBOVRY-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]c3c(c12)CCN=C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFGOJFHLZUEUIV-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]c3c(c12)CCN=C3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZUJYNLQQVVLGQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)NO)cc3)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPTFZKOPRGITRD-UHFFFAOYSA-O", "SMILES:CCCCc1ccc[n+](CC(=O)Nc2ccc3cc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POHXOSJVMLHUMP-UHFFFAOYSA-O", "SMILES:CCCc1ccc[n+](CC(=O)Nc2ccc3cc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMHAGOQRZSEUCK-HKUYNNGSSA-N", "SMILES:OC[C@@H]1Cc2c([nH]c3ccccc23)CN1Cc1cn(C[C@@H]2Cc3c([nH]c4ccccc34)CN2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWQJNCZLMGLERH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n2nc(CCc3cc(O)n4nc(C)cc4n3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDHVTAGYSWHEX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n2nc(CCc3cc(O)n4nc5ccccc5c4n3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWPGLRVFXZIAIY-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(CCc3ccc4ccccc4n3)cc(O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHSIAXSVRRVYRX-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(CCc3nc4ncccn4n3)cc(O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNFLUGTVIQPPV-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc4ccccc4n3)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMKCAJWGTIMPTC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cnc4ccccc4n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVUNUUGSMGKIPX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccncc2)n(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWOBVZONLAKRG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccncc2)c(OCCCc2ccc3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLNJIQXOVBWHBL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccncc2)c(OCc2ccc(-c3ccc4ccccc4n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYQEKHDUJKIBO-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(CCc1coc3ccccc3c1=O)n2Cc1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZGYMIDMNNOGIZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(CCc3coc4ccc(Cl)cc4c3=O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMWKWNLDAUQIGF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(CCc1coc3ccccc3c1=O)n2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXPBSYUHPMEHH-UHFFFAOYSA-N", "SMILES:COc1cn(-c2ccccc2F)nc(-c2ccnn2-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEZYFSJKNNXAGO-CMDGGOBGSA-N", "SMILES:COCCOc1cc(N2CCCC2)nc(/C=C/c2nc(C)c(C)c(N(C)C)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOEPJVGHAPXOCL-MDZDMXLPSA-N", "SMILES:CN(C)c1nc2ccccc2nc1/C=C/c1nc(NC2CCOCC2)cc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLYZCZSSMPQEM-CMDGGOBGSA-N", "SMILES:Cc1nc2ccccc2nc1/C=C/c1nc(NC2CCOCC2)cc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSNRAYRTGTIPF-VOTSOKGWSA-N", "SMILES:Cc1nc2ccc(F)cc2nc1/C=C/c1nc(NC2CCOCC2)cc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3338445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJVBNZMSHDWOSI-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJHYZPHNGDXRJW-JVVVGQRLSA-N", "SMILES:Cc1nc2ccccc2nc1-c1cc2nc(N3CCC(F)C3)cc(N([11CH3])C3CCOCC3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQQSVKFDVADLG-UHFFFAOYSA-N", "SMILES:COc1cn(-c2ccc(C3CCOCC3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMJIVIUKEVILJD-JVVVGQRLSA-N", "SMILES:Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4cc3O[11CH3])cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATSTOYIHZVBPZ-LNLMKGTHSA-N", "SMILES:[2H]C([2H])C([2H])([2H])Oc1cn(-c2ccc(C3CCOCC3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQQSVKFDVADLG-DICFDUPASA-N", "SMILES:[2H]C([2H])Oc1cn(-c2ccc(C3CCOCC3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL465679", "category": ["biolink:ChemicalEntity"], "name": "CLATHRODIN", "xref": ["InChIKey:PJKFCZYTTBYEHL-HNQUOIGGSA-N", "SMILES:Nc1ncc(/C=C/CNC(=O)c2ccc[nH]2)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL397591", "category": ["biolink:ChemicalEntity"], "name": "OROIDIN", "xref": ["InChIKey:QKJAXHBFQSBDAR-OWOJBTEDSA-N", "SMILES:Nc1ncc(/C=C/CNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRALKLTPOTARD-UHFFFAOYSA-N", "SMILES:CCn1c(=S)[nH]c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFGDRVXPCMLENL-UHFFFAOYSA-N", "SMILES:CCn1c(SC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDSUQOASQHRGEG-UHFFFAOYSA-N", "SMILES:CCn1c(SCc2ccc(Cl)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYLHXNJFSMDNG-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)CSc1nc2c(c(=O)n1CC)C1(CCCCC1)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REKHMPHJZSGSLE-UHFFFAOYSA-N", "SMILES:CCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUDINISIACCKKZ-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCCCC2)Nc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2137306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCNLCXYJICQLRG-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPWBBWHQXUHLU-YSYXNDDBSA-N", "SMILES:COC(=O)c1ccc(C2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@]23CCOC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCOFZVJMJRKIB-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccccc2)nc1C(=O)Nc1cnccc1N1CCC(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGUVEZHIDDOLE-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(-c2ccncc2)c2ccncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNJQHHXWPZEHTA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(C3=NN=C(NCc4ccccc4)SC3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDWZEMHPBPRVPC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(C3=NN=C(NCc4ccc(Cl)cc4)SC3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWSRWOJOXMAJQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(C3=NN=C(NCc4ccc(F)cc4)SC3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZIAQSVBIWIDU-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)Nc2cc(-c3cn(C4CCOCC4)c4cnccc34)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUSZTQUGLEXMZ-KOMQPUFPSA-N", "SMILES:COC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPZPSTQFAWTJMZ-OWOJBTEDSA-N", "SMILES:O=c1cc(/C=C/c2cc(=O)c(O)co2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2012553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQIRDWDCKACDRZ-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OCO2)OCc1cc(=O)c(O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBPOTQVJZUHKX-UHFFFAOYSA-N", "SMILES:O=c1cc(CSc2ccc(O)cc2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSOFEFXDQJLPQ-UHFFFAOYSA-N", "SMILES:O=C(OCc1cc(=O)c(O)co1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWEYNGIPEDFNOJ-UHFFFAOYSA-N", "SMILES:O=C(OCc1cc(=O)c(O)co1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMTQSKOHPHVIPI-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OCCO2)OCc1cc(=O)c(O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2031845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTDULZCVFUDMN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)OCc2cc(=O)c(O)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUEJPLGMTKZLBQ-UHFFFAOYSA-N", "SMILES:Nn1c(SCc2cc(=O)c(O)co2)nnc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVNGDXKTVHVOD-UHFFFAOYSA-N", "SMILES:O=c1cc(CO)oc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KENKCBXNIZYELJ-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3cccc4ccccc34)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBGGZTYSCMQVIX-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3ccc4ccccc4c3)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXOEPKHGRTHAH-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3ccccc3)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLGMPPEOPEUEE-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3ccc(F)cc3)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CETABFOHGKSGSK-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3ccc(Cl)cc3)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDCQBXASYVEME-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3ccc(Br)cc3)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVSUNPMNUURXGU-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3cccc(F)c3)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPPFVSJJZNLCPB-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3cccc(Cl)c3)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVGSFBMATAJNQB-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3ccc(Cl)cc3Cl)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDLRNCMAWYSDPU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUTVMUHDKOGNI-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3ccc([N+](=O)[O-])cc3)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDAIMFVLNAGCW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZLXMRJMNWVAPU-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2cc(COc3ccc(CO)cc3)nn2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZZUWYVJKRMKB-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBFLPIPTRFPTI-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVHOISGMBVMCAI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJVDFMQIMUPNG-FQEVSTJZSA-N", "SMILES:CCCCCCCCn1cc(O)c(=O)cc1COC(=O)[C@@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOMDPSPLWPYUPD-XNTDXEJSSA-N", "SMILES:CCCCCCn1cc(O)c(=O)cc1/C=N/OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPWSSBDURBMJV-SFQUDFHCSA-N", "SMILES:CCCCCCCCn1cc(O)c(=O)cc1/C=N/OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLNKXRQGRDHAE-UHFFFAOYSA-N", "SMILES:CCc1c(O)c(=O)cc(C)n1CCCn1cc(COc2ccc3ccc(=O)oc3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMYLHUKQSKLRMY-UHFFFAOYSA-N", "SMILES:O=c1cc(CNCc2ccc(OCCCN3CCCCC3)cc2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRJJCXYOONYEHG-UHFFFAOYSA-N", "SMILES:O=c1cc(CN(Cc2ccc(OCCCN3CCCCC3)cc2)Cc2cc(=O)c(O)co2)occ1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBOIZHHBFFTMCQ-JTQLQIEISA-N", "SMILES:[N-]=[N+]=CC(=O)[C@H](Cc1ccccc1)NC(=O)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVSURHHZKAEKF-XWBFIUNOSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](/C=C/S(C)(=O)=O)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVMLSILVSGOWGN-JTQLQIEISA-N", "SMILES:[N-]=[N+]=CC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1192402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCDGZFXIALQQSR-UHFFFAOYSA-N", "SMILES:CC(C)CC(NC(=O)CN)P(=O)(O)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSAQYQFICXXJS-IJDCCNJMSA-N", "SMILES:CC[C@@H](/C=C/C(=O)N1CCc2ccccc21)NC(=O)C1(C)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL56717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXNRITUKNSFMGJ-CUKABGIGSA-N", "SMILES:CC[C@@H]1C[N+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRKSTCBIGUUOED-DCHMLSIZSA-O", "SMILES:CC[C@@H]1C[N+]2=C(C[C@@H]1/C(=C\\OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYHOGCYPICMAJ-IRERNMKVSA-N", "SMILES:CC[C@@H]1CN2CCc3c([nH]c4cccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c34)[C@@H]2C[C@@H]1/C(=C\\OC)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPQXGFOLNCUYDI-JRRLLMCYSA-N", "SMILES:CC(C)Oc1cc(C(=O)NS(=O)(=O)N2CCCCC2)cc2sc(O[C@@H]3CO[C@H]4[C@H]3OC[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYLMAWJVHMSSFC-JPHIWRERSA-N", "SMILES:CC(C)Oc1cc(C(=O)NS(=O)(=O)N2CCCC2)cc2sc(O[C@@H]3CO[C@H]4[C@H]3OC[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBWZTKLTDWYBAI-JVAHBDALSA-N", "SMILES:CC(C)Oc1cc(C(=O)O)cc2sc(O[C@@H]3CO[C@H]4[C@H]3OC[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYOKNLODJJEJFD-TUJIQRHUSA-N", "SMILES:CC(C)Oc1cc(C(=O)O)cc2sc(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJGUWNTLOYDSF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCVQVWMKUCHALV-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(c2cc(Cl)ccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQHUAJZFAQXNAE-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTAIEUYPRXOLE-MOPGFXCFSA-N", "SMILES:CC(C)Oc1cc(C(=O)O)cc2sc(N(C)[C@@H]3CC[C@H](OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULCOJCDCDKIPEH-MSOLQXFVSA-N", "SMILES:CC(C)Oc1cc(C(=O)O)cc2sc(N[C@@H]3CC[C@H](OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGDPDAPTKZSFR-CABCVRRESA-N", "SMILES:O=C(O)c1cc(F)c2nc(N[C@@H]3CC[C@H](OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPCKOTLBYRNTDA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)N1C2CCC1CC(OCc1c(-c3c(Cl)cccc3Cl)noc1C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNHNQRHZTUUGCG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ncccc2c1)N1C2CCC1CC(OCc1c(-c3c(Cl)cccc3Cl)noc1C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPVPBAKBCMJOCK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)N2C3CCC2CC(OCc2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCFPWTYMSOMVET-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)cc(F)c1)N1C2CCC1CC(OCc1c(-c3c(Cl)cccc3Cl)noc1C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQVGMLLNIBFKO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1C2CCC1CC(OCc1c(-c3c(Cl)cccc3Cl)noc1C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCXZAJYFVAOTHO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1C2CCC1CC(OCc1c(-c3c(Cl)cccc3Cl)noc1C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUVZZXOGFTFDU-FVQHAEBGSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3822464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBUXXJUEBFDQHD-SFTDATJTSA-N", "SMILES:O=C(O)c1ccc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBSBQWCSMAZIC-GJZGRUSLSA-N", "SMILES:C[C@H]1CC(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)C[C@H](C)N1c1nc2ccc(C(=O)O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBYAHGUZLZFEQ-YHEJKZAPSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3C[C@@H]4CC[C@H]3C[C@@H]4OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJNITHQDCMOBK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C4CC43)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOUJGWJLVUENKJ-CKJXQJPGSA-N", "SMILES:O=C(O)c1ccc2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPXCFUQDFOUPS-CKJXQJPGSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDGPGUUZCEAQL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2csc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZBXCKWUHICXNH-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2cccc(C(=O)O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXEIFHPPRWYTKS-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2cc(C(=O)O)nn2C(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSRLEVVHROGUMA-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2cc(C(=O)O)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUAVKCMVTFBEJR-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2cc(C(=O)O)nn2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUVPOSVIRFCJAT-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2ccc(C(=O)O)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSRIGHRKKZXNM-UHFFFAOYSA-N", "SMILES:CCn1nc(C(=O)O)cc1C1CC(c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2C)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVUHMUIBOGUMW-PMOLBWCYSA-N", "SMILES:O=C(O)c1ccc(-c2csc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGQVSALZWDTDF-AERCQKQUSA-N", "SMILES:O=C(O)c1cccc2c1CN(C(=O)N1[C@@H]3CC[C@H]1C[C@@H](OCc1c(-c4ccccc4OC(F)(F)F)noc1C1CC1)C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWNCUAPJNWTNP-PMOLBWCYSA-N", "SMILES:O=C(O)c1cccc2c1CN(C(=O)N1[C@@H]3CC[C@H]1C[C@@H](OCc1c(-c4c(Cl)cccc4Cl)noc1C1CC1)C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUQPKFZIGMULQK-ZBYYUNFXSA-N", "SMILES:O=C(O)c1ccc2c(c1)CN(C(=O)N1[C@@H]3CC[C@H]1C[C@@H](OCc1c(-c4c(Cl)cccc4Cl)noc1C1CC1)C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPIOKXKCTYTXLZ-NKZMMAGSSA-M", "SMILES:O=S([O-])c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXVZQZSYGUIFK-MSFHQNQXSA-M", "SMILES:Cc1cc(S(=O)[O-])cc2sc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)nc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFGRXWAGFIVHV-PMOLBWCYSA-N", "SMILES:Cc1cc(NS(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](OCc2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQMKHXSMAPZBTD-PIIMJCKOSA-N", "SMILES:O=C(O)c1ccc(NS(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](OCc2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBUGRWQZGZCWQM-PMOLBWCYSA-N", "SMILES:O=C(O)c1ccc(-c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORVWIADYMMLNIV-PIIMJCKOSA-N", "SMILES:O=C(O)c1ccc(-c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)no2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKXXOMUPDWUODE-PIIMJCKOSA-N", "SMILES:O=C(O)c1ccc(-c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)no2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWMGECLVEMJRBP-BWTSREIZSA-N", "SMILES:COc1cc(-c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)no2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZJRSRDZWUXVPA-PMOLBWCYSA-N", "SMILES:Cc1cc(-c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)no2)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCNPUIIQBVPPQX-PIIMJCKOSA-N", "SMILES:O=C(O)c1ccc(-c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)no2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYBOBWNJVSJLOQ-PMOLBWCYSA-N", "SMILES:O=C(O)c1cccc(-c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGNRESDUIUGQQG-FVQHAEBGSA-N", "SMILES:O=C(O)c1cccc(-c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)no2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRRSFJNFQGCDA-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3C(=O)CCc4cc(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)ccc43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXGPYQLSXDEVDW-UHFFFAOYSA-N", "SMILES:Cn1nc(C(=O)O)c2ccc(N3C(=O)CCc4cc(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)ccc43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZHLNYQZMPMMQ-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc2N1c1ncc(O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPYOIGXQRCSBG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(N2C(=O)CCc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARTJWMGTMRHCFQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2C(=O)CCc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLNCVHICCDDMY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2C(=O)CCc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFHKIRWEZYBPJQ-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2nc3ccc(C(=O)O)cc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGWSPIGKIWEXQN-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2nc3cc(C(=O)O)ccc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYYBLNMSTQWTLN-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2nc3ccc(C(=O)O)cc3n2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIZVLPXWWZSJDC-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2nc3ccc(C(=O)O)cc3n2C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFANZAVIIBHKDI-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C2CC2(C#N)c2ccc(C(=O)O)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEIZWCXCXGZGRE-UHFFFAOYSA-N", "SMILES:CCc1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C2(C#N)CC2c2ccc(C(=O)O)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXABUFWCFZDQCY-UHFFFAOYSA-N", "SMILES:CCc1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C2(C)CC2c2ccc(C(=O)O)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVPOJTVDCHUDJL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(N3CCC4(CC3)CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)CO4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZVXVNCDKOMVMV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCC3(CC2)CC(OCc2c(-c4ccccc4OC(F)(F)F)noc2C2CC2)CO3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLLTNUZKCYQRF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1ccc(N2CCC3(CC2)CC(OCc2c(-c4ccccc4OC(F)(F)F)noc2C2CC2)CO3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZHWTGHALHPPC-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(N2CCC3(CC2)CC(OCc2c(-c4ccccc4OC(F)(F)F)noc2C2CC2)CO3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKOCHGIHQJVHB-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2ccc(C(=O)O)cc2Oc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXGXKRGTMLNJP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)nc1C1(CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJBKCLBOFRAJG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cc(F)cc4Cl)noc3C3CC3)nc1C1(CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWBCSZCFJRRETK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cc(F)cc4Cl)noc3C3CC3)nc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQRGXTVSRCMXPG-HKLKAILGSA-N", "SMILES:O=C(NS(=O)(=O)C1CCOCC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(C3CC3)cnn2-c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFQJGOJUNVKCX-LLJLJFOGSA-N", "SMILES:O=C(O)c1cc(OC2CC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CC4)cnn3-c3c(Cl)cccc3Cl)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXMPTSMHYLBCT-NOMHHCBYSA-N", "SMILES:O=C(O)c1cc(C2CCOCC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CC4)cnn3-c3c(Cl)cccc3Cl)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDLBPEKCSQLCJV-PNLZDCPESA-N", "SMILES:O=C(O)c1cc(OC2CC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CC4)nnn3-c3c(Cl)cccc3Cl)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJIDHNVMWYBRT-ZYLNGJIFSA-N", "SMILES:O=C(O)c1cc(C2CCOCC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CC4)nnn3-c3c(Cl)cccc3Cl)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLMRPDFFAJUPGE-YVBUYISXSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(OC(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTJUAFSCUCLSFQ-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOUQZRHOQIOZSY-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCGWERZWWVFRY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUUIKXAZKBQFRZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQKDWRLEJFKCZ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDWMAVLCSLPMJJ-YIKLTSIESA-M", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)[O-])CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCSMPCXOESPQIC-YIKLTSIESA-M", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)[O-])CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.C[N+](C)(C)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSWJDISMSGQDQV-HJIBTVSBSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)[C@H](F)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIDWIXGBHVQOAE-RHWIMWQASA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)[C@H](F)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGYUTSLXPGLWLX-KEZBRMMJSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)[C@H](F)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOOILAWWCASPBQ-KEZBRMMJSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(C(F)(F)F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)[C@H](F)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOWHXBDXVYCER-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVDYSPPYKLMQBC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2ccc3ccn(Cc4ccc(C(=O)O)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXMKWUWMLCQCZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(CCC(=O)O)c2)c(NC(=O)c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHIKJBEKQPNPO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2cccc(CCC(=O)O)c2)c(NC(=O)c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOKDJBSGAIVGL-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccoc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQWEADBWYWOHV-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(COc2ccc(CC(=O)O)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGBSPOXKVOUHU-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(N(CC23CCC(c4ccc(OC)c(C#N)c4)(CC2)CC3)C(=O)c2ccncc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1537276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMVPUIBSUVYJZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3cnccn3c2Nc2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPPWAQKXUFDOI-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCOCC5)cn4c3Nc3ccc(Br)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRDUNKQIPRBII-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(Br)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLBKGJRQHCBHLN-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCC(C)CC5)cn4c3Nc3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUTXGNJIYMAEKM-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCOCC5)cn4c3Cc3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBUHSYAUAHCQS-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLUFAPRBHSVGHQ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3cccc(Cl)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWCMRGDJZACPW-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccccc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFYPHAGGULEIK-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCOCC5)cn4c3Nc3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYMJGLGGKWELPX-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(F)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYMBZGAILPNMA-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3cccc(F)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPYSOJRWPGJIK-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccccc3F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDOLYLJCFEVKE-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(I)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVILKQJPZCVEA-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2c(-c3ccc4[nH]nc(C)c4c3)nc3cnc(N4CCN(C)CC4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGISFPICVJOTN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2c(-c3ccc4[nH]nc(C)c4c3)nc3cnc(N4CCOCC4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMVENLZDMGWKO-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCOCC5)cn4c3Nc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKBGYWVRNJAUGP-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPFNLVZCUHZTG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Nc2c(-c3ccc4[nH]nc(C)c4c3)nc3cnc(N4CCN(C)CC4)cn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKAYDLLMECPHNR-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(Cl)cc3F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJLGFFRYJLFKZ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(Br)cc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURCKHAPPUVQPA-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)ccc1Nc1c(-c2ccc3[nH]nc(C)c3c2)nc2cnc(N3CCN(C)CC3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNXHUCCMEKQNTF-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(F)cc3Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBSQIXRDMCEFDK-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2c(-c3ccc4[nH]nc(C)c4c3)nc3cnc(N4CCN(C)CC4)cn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGFLROYILRSVNK-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(F)c(Cl)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDYIHRHTGVVNO-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(Cl)cc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEEGEUZLEZMGGE-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3cc(Cl)ccc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFSHDJSEZIBHMF-GOTQZIDZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUOJEWAACUCANY-MRCVEZSISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMJSYQQPWJQEL-AHNRHFCJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKTRCZWTWYYSCY-YMQACAQUSA-N", "SMILES:CCNC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEPANXBNCLRIC-SYOLZFPKSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNFGEUHYGBDPE-CNDRSWSLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCSC)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNPNHJBMXRSFCP-LQPPUZIUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(N)CCC(c2ccccc2)CC1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHPADIIFLPJJBT-BSUNUJMOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(N)CCC(c2ccccc2)CC1)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYSZXUYAFULDH-XPKDYZQCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFGHVMJBMIQBMK-NXNFSMPISA-N", "SMILES:CC(C)C[C@H](C(=O)N1CCN([C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C[C@H]2CCOC2=O)CC1)N1C(=O)N[C@@H](CC(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSUPNAVYSDXSJC-ZOYLDUMFSA-N", "SMILES:CC(=O)N[C@H](CSCc1cn(CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(N)CCCCn2cc(CSC[C@@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)nn2)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGGPMMRGEXSVNW-VCWRVTFYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSCMDQMHIHGCQG-NMTVEPIMSA-N", "SMILES:CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHJUFNWIIVOTIH-NUDUWCFGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"name": "Proprotein convertase subtilisin/kexin type 9", "xref": ["CHEMBL.TARGET:CHEMBL5291514"], "id": "UniProtKB:Q80W65", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJDIGHNKOUHIAO-PBIDRDJCSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUZMKYYSPXIME-IEYAUNPSSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378188", "category": ["biolink:ChemicalEntity"], "name": "BILOBETIN", "xref": ["InChIKey:IWEIJEPIYMAGTH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1-c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1208903", "category": ["biolink:ChemicalEntity"], "name": "ISOGINKGETIN", "xref": ["InChIKey:HUOOMAOYXQFIDQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4OC)c3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2172374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWVBOPKUSVZZPJ-HDJSIYSDSA-N", "SMILES:O=C(O)[C@H]1CC[C@H](c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2146851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWMFRYQVAYXIE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCN2CCN(CCc3ccc4nonc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2146872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGWJOSUHQHWZMO-UHFFFAOYSA-N", "SMILES:O=C1OCc2cc(CCN3CCN(CCc4ccc5nonc5c4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILRALVVEMQRCLM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2cccc(C(O)C(F)(F)F)c2)cc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASHWETLKGUZRJW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2cccc(C(O)C(F)(F)F)c2)cc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTDPHDGUPQQNDG-UHFFFAOYSA-N", "SMILES:CC(O)c1cccc(-c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNEGAQCZCNAMNT-UHFFFAOYSA-N", "SMILES:CC(O)c1cccc(-c2cc(NCc3ccccc3)c3nonc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEJNVCUGLYTWGH-UHFFFAOYSA-N", "SMILES:OC(c1cccc(-c2cc(N3CCCC3)c3nonc3c2)c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTHBJOZAGGLDH-UHFFFAOYSA-N", "SMILES:OC(c1cccc(-c2cc(NCc3ccccc3)c3nonc3c2)c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXLGDJKCXEKTB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(Cc1nonc1O)c(C)n2C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL348270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMNLDWJDASMGY-UHFFFAOYSA-N", "SMILES:O=C(O)C1=C(C(=O)Nc2ccc(-c3ccccc3)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL154623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVDQTDBVMYWOO-UHFFFAOYSA-N", "SMILES:O=C(O)C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEQUHSZJPDFCIM-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(CSCCNc2nonc2N)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZAOGQZBUXBQHJ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(CSCCNc2nonc2NCCCc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDJKPCMRFDZALX-UHFFFAOYSA-N", "SMILES:CC(C)CC(C(=O)O)c1cc(Cl)c(OCC2CC2)c(-c2ccc3nonc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2151085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSGYOURKJMREN-UHFFFAOYSA-N", "SMILES:CC(C)CC(C(=O)O)c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSERTYLZGRJLOO-QGZVFWFLSA-N", "SMILES:O=C(O)[C@H](CC1CCC1)c1cc(Cl)c(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIMITGPWYYFUQF-QWAKEFERSA-N", "SMILES:CCCCCCN(C)CC(=O)C(CC(=O)O)NC(=O)[C@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL417149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBVAPCONCILTL-MRHIQRDNSA-N", "SMILES:CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPPZDBHEFQPQJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1Nc1cc(Cl)c2nonc2c1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHIBOYCONEPEY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Nc2nc3nonc3nc2N2CCC(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVCKLAUAUUICQU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Nc2nc3nonc3nc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTZABOHUXEIEO-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Nc2nc3nonc3nc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIDCUKZGUJQCHB-UHFFFAOYSA-N", "SMILES:Clc1ccc(OC2CCN(c3nc4nonc4nc3Nc3ccc4occc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MERISFCVSLWNGZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Nc2nc3nonc3nc2N2CCC(Sc3ccc(C)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDPWPXKUCBZPV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Nc2nc3nonc3nc2N2CCC(Sc3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKRCNKLJNUVQY-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Nc2nc3nonc3nc2N2CCC(Sc3ccc(C)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVJXZDCYTDURKU-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc(Nc2nc3nonc3nc2N2CCC(Sc3ccc(C)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVQQYNZFDMFQPG-UHFFFAOYSA-N", "SMILES:CCn1c(-c2c[nH]nc2N)nc2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGZHPJLXUXPUIK-UHFFFAOYSA-N", "SMILES:CCn1c(-c2nccnc2N)nc2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUWBOMXTDPIEI-UHFFFAOYSA-N", "SMILES:CCn1c(-c2cccnc2N)nc2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJSXWRITAPSVFU-UHFFFAOYSA-N", "SMILES:CCn1c(-c2cn(C)nc2N)nc2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGHABJRZQKZAHP-UHFFFAOYSA-N", "SMILES:CCn1c(-c2nonc2N)nc2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBCJUIJWPYUEBX-UHFFFAOYSA-N", "SMILES:CCn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBRVWDMIGBZNTB-PEPKCNCVSA-N", "SMILES:Cn1cnc(COc2ccc3c(c2)C(C)(O)O[C@]32CC[C@H](n3c(-c4nonc4N)nc4cc(F)ccc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHWHNHYZZNJPLB-QMMMGPOBSA-N", "SMILES:CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[C@H](N)C3)c21"], "synonym": ["SB-7720770B"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNDSCCANZUONG-UHFFFAOYSA-N", "SMILES:Nc1nonc1/C(=N/O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLPQNOYGDGMZSU-NSHDSACASA-N", "SMILES:O=C(CNc1nonc1/C(=N/O)N[C@H]1Cc2ccc(F)cc21)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYXYPAXVUWGTM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)CC(=O)NCCSc1nonc1/C(=N/O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRNWBRVAJUUOX-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(C(=O)NCCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJBVKTYQLWGNGE-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKOFAWBQRGSHGD-BHGWPJFGSA-N", "SMILES:O=C(O)c1cc(-c2ccc(/C=N/Nc3nc4nonc4nc3Nc3ccccc3)o2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDJDASBXRVTGF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=CCC(SCCCCCCO)c2nonc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTDKPJFSQBMEOI-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])C1=CCC(SCCOCCOCCO)c2nonc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1434157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQDVLBYTPSVSQY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Nc2nc3nonc3nc2Nc2cccc(C)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYEJFECSKROJSO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(NC(=O)c3ccccc3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYHABMLDEAUPNJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(CC2CCCc3c2[nH]c2ccc(C)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBRWUZLLHSXPKL-UHFFFAOYSA-N", "SMILES:O=C(O)c1nonc1O"], "chembl_natural_product": true}
{"name": "Lactate dehydrogenase", "synonym": ["L-lactate dehydrogenase"], "xref": ["CHEMBL.TARGET:CHEMBL6071"], "id": "UniProtKB:Q0PJ46", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPHBZYAQYOJND-UHFFFAOYSA-N", "SMILES:O=C(O)c1conc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLGFQXJBUOAAP-UHFFFAOYSA-N", "SMILES:O=C(O)c1nocc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJCMPHPEECZLCT-LSDHQDQOSA-N", "SMILES:Nc1nonc1-n1nnc(C(=O)/N=N/Cc2ccncc2)c1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBIAWNWSWZFSR-UHFFFAOYSA-N", "SMILES:Nc1nonc1-n1nnc(-c2n[nH]c(-c3ccncc3)n2)c1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBFGKUUMDHISU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc(N3CC(CN4CCCC4)C3)c3nonc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCBCEVVXXRCYCX-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(-c3cc(N4CC(CN5CCCC5)C4)c4nonc4c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWUYMIVVOCAEDL-UHFFFAOYSA-N", "SMILES:OC(c1ccc(-c2cc(N3CC(CN4CCCC4)C3)c3nonc3c2)s1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKOEULANBZLQK-UHFFFAOYSA-N", "SMILES:OC(c1cccc(-c2cc(N3CCC(N4CCCC4)CC3)c3nonc3c2)c1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SETGKJWSJNBEKS-UHFFFAOYSA-N", "SMILES:COC1CN(c2cc(-c3cccc(C(O)C(F)(F)F)c3)cc3nonc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHOPUFXPHXMZHN-UHFFFAOYSA-N", "SMILES:OC1CN(c2cc(-c3cccc(C(O)C(F)(F)F)c3)cc3nonc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTMNYXAJEFGKSB-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(F)cc1)c1cc(C(O)C(F)(F)F)cc2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLYNWWUKSGJGS-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cc2c(cn1)cnn2-c1ccnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHHNQRZGMYWFNK-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cc2c(ccn2-c2ccnc(N)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXJFYWIKMAJCFY-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cc2c(cn1)CCN2c1ccnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNKYVVIEELPQIE-UHFFFAOYSA-N", "SMILES:COc1cc2ccn(-c3ccnc(N)n3)c2cc1C#CC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNLKTULNTVSYRA-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cc2c(ccn2-c2ccnc(N)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDVDTMFIACGVSQ-UHFFFAOYSA-N", "SMILES:COc1nc(C#CC(C)(C)O)cc2c1ccn2-c1ccnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEVIJNDAXLTTLR-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cc2c(ccn2-c2ccnc(N)n2)c(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDAOLZQAFAFGCG-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cc2c(cn1)c(C1CC1)cn2-c1ccnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBUHKZDYNWJSLH-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cc2c(cn1)c(C1CCOCC1)cn2-c1ccnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHXPUWCNFDAKF-OAHLLOKOSA-N", "SMILES:CN1CCC[C@@H](c2cn(-c3ccnc(N)n3)c3cc(C#CC(C)(C)O)ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZLQQYUWMGFXDE-INIZCTEOSA-N", "SMILES:CC[C@](C)(O)C#Cc1cc2c(cn1)cnn2-c1ccnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SENXNEVTBJUCRH-HWKANZROSA-N", "SMILES:CC(C)(O)/C=C/c1cc2c(cn1)cnn2-c1ccnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIRJZMHZOULMK-UHFFFAOYSA-N", "SMILES:CC(C)(O)CCc1cc2c(cn1)cnn2-c1ccnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYRCGISNANONJ-KRWDZBQOSA-N", "SMILES:CC[C@](C)(O)C#Cc1cc2c(ccn2-c2ccnc(N)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCWOOPUYHXRHN-ZZXKWVIFSA-N", "SMILES:CC(C)(O)/C=C/c1cc2c(ccn2-c2ccnc(N)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOLYGQOTGMKVNP-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccnc(N)n2)c2cc(C#CC(C)(C)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFIZWAYRXZQCU-KRWDZBQOSA-N", "SMILES:CC[C@](C)(O)C#Cc1cc2c(ccn2-c2cc(N)ncn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRSNWUGFAXKMQP-SFHVURJKSA-N", "SMILES:CC[C@](C)(O)C#Cc1cc2c(ccn2-c2cc(C)nc(N)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJVZSVEIGCFJP-SFHVURJKSA-N", "SMILES:CC[C@](C)(O)C#Cc1cc2c(ccn2-c2cc(OC)nc(N)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDHEAZGJYBLPV-SFHVURJKSA-N", "SMILES:CC[C@](C)(O)C#Cc1cc2c(ccn2-c2nc(N)ncc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDZERROCWRVDT-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1ccc2[nH]nc(-c3ccnc(N)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLYIUVXYYAOKA-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccnc(N)n2)c2cc(C#CC(C)(C)O)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPFEJREBIUBMB-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(N3CCN(CCCCOc4ccc5c(c4)NC(=O)CC5)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVWRWOFYFBNKU-OZBJMMHXSA-N", "SMILES:CC1Cc2ccccc2N1C(=O)NCCCCN(C)[C@H]1Cc2cccc3[nH]c(=O)n(c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGAXRFLOVCZZNS-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCCN(CCCCOc4ccc5ccnn5c4)CC3)ccc(O)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIQQQICTDWZODG-UHFFFAOYSA-N", "SMILES:Oc1cc(CN2CCN(c3ccccn3)CC2)c(Cl)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSAXKBODJJHCF-UHFFFAOYSA-N", "SMILES:CN(CC(=O)NCc1ccccc1)C(=O)CCCN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQUYISBPDUWNLC-UHFFFAOYSA-N", "SMILES:CN(CC(=O)NC1CCCCC1)C(=O)CCCN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSYGVLMBDGWEV-UHFFFAOYSA-N", "SMILES:CN(CC(=O)NC(C)(C)C)C(=O)CCCN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDAMHUJTGOWZOX-UHFFFAOYSA-N", "SMILES:Cn1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)c1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOHLTWMPXNQOAA-UHFFFAOYSA-N", "SMILES:Cn1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)c1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIVOGIAUHZCBK-UHFFFAOYSA-N", "SMILES:Cn1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)c1C(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOOYZUDBHDXOZ-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc2ccccc21)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFOALSDVMLWEQ-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc2ccccc21)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSXPLYESFHLLY-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)Cn1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKQWVRLMOLBNQU-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc2cc(Br)c(Br)cc21)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGQWWCSDVNCWKW-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc2cc(Br)c(Br)cc21)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJJKHYAKDKZNA-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)Cn1c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc2cc(Br)c(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKFOMNCXPUBCJT-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)N1C=CN(Cc2ccccc2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXGNEXAVXBXLG-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)N1C=CN(C2CCCCC2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJVZBXRTNKKRU-UHFFFAOYSA-N", "SMILES:CC(C)(C)N1C=CN(C(=O)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEYPINFPGIXPDO-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)C(C(=O)NCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVSGKQRSIHTAZ-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)C(C(=O)NC2CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMZYPGWYRMTMMW-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)C(C(=O)NC(C)(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJBZDMXLXHXOQF-UHFFFAOYSA-N", "SMILES:O=C1NCCN(C(=O)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)C1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBQDBNTYKHXPJ-UHFFFAOYSA-N", "SMILES:O=C1NCCN(C(=O)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)C1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APQWXABKECJSIH-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1C(=O)NCCN1C(=O)CCCN1CCN(c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQFJBMWXOICTC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Nc2ncc3cc(CCO)c(=O)n(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFICDVBSMFGDEN-UHFFFAOYSA-N", "SMILES:Cc1ccc([Se]CC(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSDVRTVGDAKOCN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)C[Se]c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJECUVCYQUIMCB-UHFFFAOYSA-N", "SMILES:[Se]=P(c1ccccn1)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCJWBZFNRDSZHR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccncc2)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAPHYEFOJQRXHP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccncc2)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOJKDDMKWMEACH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccncc2)c(C(=O)N2CCN(Cc3ccccc3)C(=O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCBPPHXWOWQET-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccncc2)c(C(=O)N2CCC(Cc3ccccc3)C(O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPCEIFGZKXNGG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccncc2)c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSKMZKNBDNRDMY-UHFFFAOYSA-N", "SMILES:COC1(Cc2ccccc2)CCN(C(=O)c2cc(C)ccc2-c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVQOOURGCFKWOU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccncc2)c(C(=O)N2CCC(O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSEFNJNSFDKEEK-UHFFFAOYSA-N", "SMILES:CCC1(O)CCN(C(=O)c2cc(C)ccc2-c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSZTMGEXVXFGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccncc2)c(C(=O)N2CCC(O)(c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZHZBERNTKJCBU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccncc2F)c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXLOMNFXXIMIFT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccncc2C)c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHBYAFPJMYUKNG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTLCXCEJHQFNU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSJXTDBMPJQQF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccncc2)c1C(=O)N1CCC(O)(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIVVWBYBGLBPAM-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)ccc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLMRQZHEKUEART-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccncc2)c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBLSODKWWZWBB-UHFFFAOYSA-N", "SMILES:O=C(c1cc(F)ccc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYCVUUFYRQPMJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBNCVBUEKSBVDH-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-c1ccncn1)N1CCC(O)(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZKEZCGMBARID-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-c1ccncc1)N1CCC(O)(Cc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRVYMHZGONAKH-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1-c1ccncn1)N1CCC(O)(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFUZDIHJEMMDOQ-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1-c1ccncc1)N1CCC(O)(Cc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRKNQBGATQGRTM-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-c1ccncn1)N1CCC(O)(Cc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYZZSKFUMNZLJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccncc1)N1N=C(c2ccccc2)CC1(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBXKJJOBGJGKY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1=NN(C(=O)c2ccncc2)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJXTWMADTUIRAH-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(C)ccc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOLGYAQPQLGXGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccnc(C)c2)c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUZFOGDWLGQJR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(Cl)c1)c1cc2cccc(O)c2n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTZZCXRVKNMTNQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(F)c1)c1cc2cccc(O)c2n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYXNVPHVFOQGSO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1F)c1cc2cccc(O)c2n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGNMEEDGMFYGNI-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(Cl)c1)c1cc2cccnc2n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGMJKJHYVGBQKH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(F)c1)c1cc2cccnc2n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKPQQHJINFIPV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1F)c1cc2cccnc2n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMWNOXHZOQBNOQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(Cl)c1)c1c(O)c2cccnc2n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWUVZSSWSPORBO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(F)c1)c1c(O)c2cccnc2n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGJNBQMUGMKTG-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1F)c1c(O)c2cccnc2n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTOOKGDPMXSJSY-STQMWFEESA-N", "SMILES:N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL377872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCGMORCWLEJNZ-UWVGGRQHSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1222393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMAUFHMAAVTODF-STQMWFEESA-N", "SMILES:N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRBYQBMCDTZSTQ-ZFWWWQNUSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWJKJYPNNAZSGH-ZDUSSCGKSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWJKJYPNNAZSGH-CYBMUJFWSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQORNHPBEXCGAW-AWEZNQCLSA-N", "SMILES:COc1ccc(CCNC(=O)[C@@H](N)Cc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQORNHPBEXCGAW-CQSZACIVSA-N", "SMILES:COc1ccc(CCNC(=O)[C@H](N)Cc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBAQKHXCLRLKBX-ZDUSSCGKSA-N", "SMILES:COc1ccccc1CCNC(=O)[C@@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBAQKHXCLRLKBX-CYBMUJFWSA-N", "SMILES:COc1ccccc1CCNC(=O)[C@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMEBAGQVBBJXTI-AWEZNQCLSA-N", "SMILES:COc1cccc(CCNC(=O)[C@@H](N)Cc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMEBAGQVBBJXTI-CQSZACIVSA-N", "SMILES:COc1cccc(CCNC(=O)[C@H](N)Cc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYZSUSQZXGOIA-ZDUSSCGKSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYZSUSQZXGOIA-CYBMUJFWSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTMNQVZQMZNMN-ZDUSSCGKSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTMNQVZQMZNMN-CYBMUJFWSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJMQBMZZAOYDRF-ZDUSSCGKSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJMQBMZZAOYDRF-CYBMUJFWSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPKZEWBYFPQSA-IBGZPJMESA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPKZEWBYFPQSA-LJQANCHMSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGISFGOFQKSPQS-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHOLXOQZDLAVJS-ZDUSSCGKSA-N", "SMILES:COc1ccc(CNC(=O)[C@@H](N)Cc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHOLXOQZDLAVJS-CYBMUJFWSA-N", "SMILES:COc1ccc(CNC(=O)[C@H](N)Cc2cnc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHILKNDZCJNLRU-LBPRGKRZSA-N", "SMILES:COc1ccccc1CNC(=O)[C@@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHILKNDZCJNLRU-GFCCVEGCSA-N", "SMILES:COc1ccccc1CNC(=O)[C@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMGJHLVZAYNFJ-ZDUSSCGKSA-N", "SMILES:COc1cccc(CNC(=O)[C@@H](N)Cc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMGJHLVZAYNFJ-CYBMUJFWSA-N", "SMILES:COc1cccc(CNC(=O)[C@H](N)Cc2cnc[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVJOUQUIPLGGM-HNNXBMFYSA-N", "SMILES:CC(C)(C)c1ccc(CNC(=O)[C@@H](N)Cc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVJOUQUIPLGGM-OAHLLOKOSA-N", "SMILES:CC(C)(C)c1ccc(CNC(=O)[C@H](N)Cc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDLBIHIQMNKKOJ-HNNXBMFYSA-N", "SMILES:CC(C)(C)c1ccccc1CNC(=O)[C@@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDLBIHIQMNKKOJ-OAHLLOKOSA-N", "SMILES:CC(C)(C)c1ccccc1CNC(=O)[C@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFSYEYWUPNGARB-HNNXBMFYSA-N", "SMILES:CC(C)(C)c1cccc(CNC(=O)[C@@H](N)Cc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFSYEYWUPNGARB-OAHLLOKOSA-N", "SMILES:CC(C)(C)c1cccc(CNC(=O)[C@H](N)Cc2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAQZQIFBTJYVDM-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAQZQIFBTJYVDM-GFCCVEGCSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWDGFJZBDWHLF-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWDGFJZBDWHLF-GFCCVEGCSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTLJLLFGURITO-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTLJLLFGURITO-GFCCVEGCSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCc1ccc(SC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIGFJDHEPWDAK-NSHDSACASA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJIZBWOPDVSAY-AWEZNQCLSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJIZBWOPDVSAY-CQSZACIVSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZHPQLKMQNWJN-HNNXBMFYSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZHPQLKMQNWJN-OAHLLOKOSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEYOZLBJIZNCZ-UHFFFAOYSA-N", "SMILES:NC(Cc1c[nH]cn1)C(=O)NCCc1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEYOZLBJIZNCZ-AWEZNQCLSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEYOZLBJIZNCZ-CQSZACIVSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCCc1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHEJFEJJFPIYNO-KRWDZBQOSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHEJFEJJFPIYNO-QGZVFWFLSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLHYVMRZZZJNDB-INIZCTEOSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLHYVMRZZZJNDB-MRXNPFEDSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYGRDVZHGAERG-INIZCTEOSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYGRDVZHGAERG-MRXNPFEDSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYGRDVZHGAERG-UHFFFAOYSA-N", "SMILES:NC(Cc1c[nH]cn1)C(=O)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVWBLZGPYUKOX-AWEZNQCLSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVWBLZGPYUKOX-CQSZACIVSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)NCc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVWBLZGPYUKOX-UHFFFAOYSA-N", "SMILES:NC(Cc1c[nH]cn1)C(=O)NCc1cccc2cccnc12"]}
{"name": "Thimet oligopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL5291559"], "id": "UniProtKB:P52888", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPZXNPNLCOYTOT-LFNOXUFWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](C)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDSDRZMIWGATN-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(NC3CCCCC3N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJYVLTPTDBQQCY-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRJNNPMIUGYOST-MEMLXQNLSA-N", "SMILES:CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGXHQYJKJUFSJI-AWEZNQCLSA-N", "SMILES:CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL567331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBOPHGXTBOQRN-UHFFFAOYSA-N", "SMILES:c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWKDQQIVXBSVBE-UHFFFAOYSA-N", "SMILES:O=C1NCc2c(Cl)cc3c(-c4ccccc4)c[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJQEKJPAVSBTA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c3ccncc3cc(C#N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGXQCQYWBIOFNU-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc3sc(NC(=O)c4ccc5scnc5c4)nc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHKVSOQUPYXVRZ-AWEZNQCLSA-N", "SMILES:C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5ocnc5c4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3335365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQVSWGAIIWEDCW-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVKCXCCJTOATLV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4ccncc4)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWFMLYGNGYNZGY-UHFFFAOYSA-N", "SMILES:CC(C)(CO)c1ccc(C(=O)Nc2cn3cc(-c4cn[nH]c4)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWPXADMCNLNAGW-MXVIHJGJSA-N", "SMILES:CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnn4ccc(C5CCOCC5)c34)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFHSCKRPLMJIO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1-n1cc(COc2cccc3cnc(Nc4cccc(Cl)c4)nc23)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRIIMZXUFHPCH-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3297832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COUZVMMRGYONAQ-UHFFFAOYSA-N", "SMILES:COc1c(O)ccc2c(=O)c3c(O)cc4c(c3[nH]c12)C=CC(C)(C)O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL603189", "category": ["biolink:ChemicalEntity"], "name": "POLYANDROCARPAMINE A", "xref": ["InChIKey:CWWKTGHWIFDKSB-DAXSKMNVSA-N", "SMILES:COc1cc(/C=C2\\N=C(N)NC2=O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4082113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHUOQHKKRABAQB-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)Cc3cccc(F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1885748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQSJAVBMIMDUFO-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFILOJHRUADYDF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZLNCRZBVRRFAT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1c[nH]nc1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3885431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOPJKMQVDXYAV-UHFFFAOYSA-N", "SMILES:COc1cccc2c1[nH]c1c3ccncc3cc(C#N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBGNHCYGFBRIRO-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2cnccc2C(=O)O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMIWCIVXVXHDU-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)Nc1cnccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDYQCOVJKZYFKX-UHFFFAOYSA-N", "SMILES:Cc1cnc2c(c1)c(Nc1cnccc1C(=O)O)cn2CCN1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUUKCJIHIACCK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(NCc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIHINPWRGAKPRC-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)NC(=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBWADLLKNGUCBS-UHFFFAOYSA-N", "SMILES:CC(C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMSTPSCCSYARO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMSTPSCCSYARO-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMSTPSCCSYARO-OAHLLOKOSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNQBSNIBYKAZGI-CQSZACIVSA-N", "SMILES:CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)c3ccccc3)C2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZQSICPYNAMNU-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCC3)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWYKBXMZDRYQX-UHFFFAOYSA-N", "SMILES:C=CCOc1c(CNn2cnnc2O)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDKDHYQJZTWCN-UHFFFAOYSA-N", "SMILES:C=c1c(C(N)c2ccc(C)cc2)cc(=C)c2[nH]c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTHOPIBLRVRXLD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccnc(-c2cc(C(=O)NCCc3ccccc3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPOZVBBSPPQEEN-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRXWJZIHQRIGSJ-UHFFFAOYSA-N", "SMILES:CC(C)c1c(-c2cnn(C(C)(C)C)c2)[nH]c2c(C#N)cnn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUDSGXVTFJZFS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(O)c2ccncc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKXVHLNXXTWGHG-UHFFFAOYSA-N", "SMILES:CCCCCCCN(C)Cc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PATSJMHSNAENAO-JXMROGBWSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(C(OCCN2CCCCC2)c2cc3nccc(C(=O)O)c3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APYABXFXNNTCQD-UHFFFAOYSA-N", "SMILES:CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)Oc2ccc(OC(C)C)cc2OC(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYDJVPUNRVZON-UHFFFAOYSA-N", "SMILES:COCC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1440422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWEWSJJCANQFRB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn3cc(C)ccc3n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCSFQXYKHFZUTC-YOEHMKRZSA-N", "SMILES:C=C/C(O[C@H](C)C(=O)NCC(=O)NCC(=O)O)=c1/c2c(c(=O)oc1=C)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQXRCKBTNAXXHU-UHFFFAOYSA-N", "SMILES:CCCCC1Oc2ccccc2C1C(=O)c1cc(I)c(OCCC[N+](C)(C)C)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQKJUSVAXXPCW-UHFFFAOYSA-N", "SMILES:CCCCC1Oc2ccccc2C1C(=O)c1cc(I)c(OCCCC[N+](C)(C)C)c(I)c1"]}
{"name": "Inhibitor of growth protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3784904"], "id": "UniProtKB:Q9H160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3928461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGJUUPJEPLOOT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2c(CCc3ccc4c(n3)CCCC4)nc3c(N4CCOCC4)ccnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCRNAUITQWWDED-UHFFFAOYSA-N", "SMILES:OCCn1cc(-c2ccc3ncc(Cc4c(F)cc5ncccc5c4F)n3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZFDGDICHKHGJ-LSDHHAIUSA-N", "SMILES:O=C(NCCF)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMTTVTGSKOFZGH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3nc(C)c(-c4cnc(N)c(C(F)(F)F)c4)n3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIDVCXQDTQASFN-UHFFFAOYSA-N", "SMILES:Cc1nc2c(N)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZZDYRNZVCKPFL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cn2nc(-c3cnc(N)c(-c4ccccc4OC(F)(F)F)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCXPQJNZIRTUGH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cn2nc(-c3cnc(Cl)c(NS(=O)(=O)N4CCOCC4)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDBRCUUDXLTIM-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUBNTNWKIPCPS-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2cnc3ccc(NCC4CC4)nn23)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPOZTWIDOKOKH-MHECFPHRSA-N", "SMILES:CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)CC(C)(C)C)[C@@H](C)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUJHUHNUHJMRII-KIWWSDKQSA-N", "SMILES:CN(C)c1ccc(-c2cn3cc([123I])ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENVSADYTLLXLP-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVTJZQHSPPYGDG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXGEANURIDDCJ-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDNBGDKAFYUFV-UHFFFAOYSA-N", "SMILES:Cc1nc2c(N3CCOCC3)ccnn2c1-c1ccc(C2(O)CCOCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYZISZRYVGZYRR-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1nc2cccnn2c1-c1cc(F)c(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHKJVUUMSPASRG-UHFFFAOYSA-N", "SMILES:CCC(CC)c1cc(C)nn2c(-c3sc(N4CCOCC4)nc3Cl)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVGLILGTQWNXRF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cc(C)nn2c(-c3sc4ccc(F)cc4c3C)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLEWJNWOSJPOGF-UHFFFAOYSA-N", "SMILES:CCC(CC)c1cc(C)nn2c(-c3sc4ccc(F)cc4c3C)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGGYXWVZIKKADS-UHFFFAOYSA-N", "SMILES:CCCNc1cnc2ccc(-c3cccc(O)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVOHXBGDKYDBQD-MAUKXSAKSA-N", "SMILES:CC[C@H]1CN(c2ccc(C#N)cn2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTYZWRDJQNYYOD-UHFFFAOYSA-N", "SMILES:CSc1ccc(OC(F)F)c(-c2n[nH]cc2NC(=O)c2cnc3cccnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBIPBFFGHMGGN-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)c1ccnn2cc(-c3ccccc3C(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHJNQJQCJSKSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc(N2CCCC2)c1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFCMHTWFBNPGEI-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(N3CCNCC3)nn2c1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXNBPPXVSDPNT-UHFFFAOYSA-N", "SMILES:Nc1cccc([As]2SCCCS2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WONBTYJJKXSAKA-UHFFFAOYSA-N", "SMILES:Nc1ccc([As]2SCCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTDFHZKZWDYRTM-UHFFFAOYSA-N", "SMILES:Nc1ccccc1[As]1SCCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3347611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSUJFJNIKHZDK-ZDUSSCGKSA-N", "SMILES:C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(-c3cccc4[nH]ccc34)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWCOTUVKROVONT-HXUWFJFHSA-N", "SMILES:CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CCN(C(=O)OC)CC4)C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYXWNBGWTWEYFK-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRAVBDONJLUOT-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3ccncc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUESDICJTDCQLW-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3c(C)noc3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPKKFATQBXLFS-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3ccc(S(C)(=O)=O)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQPLHADFEYGYQT-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3ccc(OC(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWZVFZHTXBYVNL-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3ccc(O)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNWNADSARZWFHV-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3ccc(OC)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOTWELDDAHLSD-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3cccnc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYCXIGJBZZRCKH-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3ccccn3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDPZSYGSINQCZ-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3cncnc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZJMAIDSKMHHV-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3ccnn3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXOGJCRVLVQFS-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3cn(C)nc3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GETDLVBESQDEJK-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3c(C)nn(C)c3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUNZMBPFTZXJIY-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3cccc4[nH]ccc34)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFCPJRZBBVZPPC-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3ccnc4[nH]ccc34)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPROQCLBVUQELK-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3cccc4ncccc34)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPZHKRAQQZCFRK-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3cccc4cnccc34)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOXPZSODYFVICP-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3cc4cccc(OC)c4[nH]3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLRFDSAAIAWKB-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3cc4ccccc4s3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLHVQDJBIKCNOS-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(Cl)c(C)c(NC3CCOCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWISWWCHNYAJW-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(Oc3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOHNIIZAXAPKKB-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(OCc3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUSOEMGNVHHJPI-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(Nc3ccccc3)c(C)c(NC3CCOCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCNZNYBQKTWAE-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NCc3ccccc3)c(C)c(NC3CCOCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAHVQCWSYCPVSV-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(NC3CCN(S(C)(=O)=O)CC3)c(C)c(-c3c(C)noc3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VADXZGARHQDAFW-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCOCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCPIUUIBHEBPT-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCS(=O)(=O)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJQRFAARAWIDNP-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCN(C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVBLRLWYPNYOPQ-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCN(C(C)=O)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYZHHOGHUDZNRR-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCN(S(C)(=O)=O)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQTITXWZWAOCLF-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCCCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQQJLNLMFORADD-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4cccnc4C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JANULSZSUSKPJY-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4ccccc4C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVIUIRPCVXVFSX-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(Nc3ccccc3)c(C)c(-c3c(C)noc3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJNTPMGNVPUOK-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(Nc3ccccc3)c(C)c(-c3cccnc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRUBKEWPXCHBKM-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(Nc3ccccc3)c(C)c(-c3c(C)nn(C)c3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDPYJBMTKJVOKT-KNXIQCGSSA-N", "SMILES:[2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)[nH]1)c1c(F)ccc2c1CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBXGBXXNJYGSZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2cc(N3CCCc4ccccc43)ccc2[N+](=O)[O-])n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHNQEAAZWGLKW-JGNINCOKSA-N", "SMILES:CC[C@H](C)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@](C)(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXOQTXPNLLEMA-KRZXBLKESA-N", "SMILES:Cc1ncnc2c1c(C#Cc1ccc(Br)c(F)c1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRAIOQPSBRMOV-NRMKKVEVSA-N", "SMILES:C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(N)ncnc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5278392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRVZQCFAYJMSD-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCCc1ccccc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVMLURVURNUQI-HSZRJFAPSA-N", "SMILES:Cc1ccc(-c2ccc3c(C)n[nH]c3c2)c2c1[C@H](N(C)C(=O)c1ncccc1C(F)F)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVMLURVURNUQI-QHCPKHFHSA-N", "SMILES:Cc1ccc(-c2ccc3c(C)n[nH]c3c2)c2c1[C@@H](N(C)C(=O)c1ncccc1C(F)F)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVMLURVURNUQI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3c(C)n[nH]c3c2)c2c1C(N(C)C(=O)c1ncccc1C(F)F)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJXYOUEYPMMEB-UHFFFAOYSA-N", "SMILES:CN1Cc2c(-c3cccc(NS(N)(=O)=O)c3)ccnc2NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCRYZZEHPKTMR-UHFFFAOYSA-N", "SMILES:CN1Cc2c(-c3cccc(CNS(N)(=O)=O)c3)ccnc2NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKSCGJHHCGZFK-UHFFFAOYSA-N", "SMILES:CN1Cc2c(-c3ccc(CNS(N)(=O)=O)cc3)ccnc2NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBSTWYKPSHZPEM-UHFFFAOYSA-N", "SMILES:CN1Cc2c(-c3ccc(CN(C)S(N)(=O)=O)cc3)ccnc2NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZJJZAKWQMXZGN-UHFFFAOYSA-N", "SMILES:Cl.NS(=O)(=O)Nc1cccc(-c2ccnc3c2CN(C2CC2)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQHZEFYBRYBQO-UHFFFAOYSA-N", "SMILES:CN1Cc2c(-c3ccc(CNS(N)(=O)=O)cc3)ccnc2N(C)C1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWAANGLDUOPER-UHFFFAOYSA-N", "SMILES:CN1Cc2c(-c3ccc(CNS(N)(=O)=O)c(F)c3)ccnc2NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOYCXWRNJQXIK-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2-c2ccc(CNS(N)(=O)=O)cc2)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAMVTAVUAQGFPL-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2-c2ccc(CNS(N)(=O)=O)c(F)c2)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVKHTPZJFZMJN-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2-c2cccc(CNS(N)(=O)=O)c2)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMMODXQXRMIGQB-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2-c2cccc(NS(N)(=O)=O)c2)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNCHUMAWWYENMW-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCc2cccc(-c3ncnc4c3CN(C)C(=O)N4)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLTVRWDKDOEPK-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2N2CCC(CCNS(N)(=O)=O)CC2)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNKODRXOIESSH-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2N2CCC(CNS(N)(=O)=O)CC2)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIJDXKKTECXBRW-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2N2CCC(NS(N)(=O)=O)CC2)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYXRUJCVXRYTPL-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2N2CCC(C)(CCNS(N)(=O)=O)CC2)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBZFGOJMYQWCP-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2N2CCC(C)(CNS(N)(=O)=O)CC2)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYZBQQRAEPMQJV-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2N2CCC(C)(NS(N)(=O)=O)CC2)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZIFPOLVUWJLDH-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2N2CCC3(CC2)CCN(S(N)(=O)=O)C3)NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAWTYPQYXSGUBT-UHFFFAOYSA-N", "SMILES:CN1Cc2c(N3CCC(CCNS(N)(=O)=O)CC3)ncnc2N(C)C1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINQRFSWZOXCQF-UHFFFAOYSA-N", "SMILES:CN1Cc2c(NCc3ccc(NS(N)(=O)=O)cc3)ncnc2NC1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSSMDNIOHSBIJ-UHFFFAOYSA-N", "SMILES:CN1Cc2c(ncnc2Nc2ccc(NS(N)(=O)=O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRNOEWVWZHYDM-MLPAPPSSSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Oc2cccc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBDZAUOXRXNMMO-XYOKQWHBSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5316035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWPFGDOEMGETH-OQLLNIDSSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Cc2ccc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMNVHPSDQQWYCL-GXDHUFHOSA-N", "SMILES:CN(C)c1ccc(/C=C2\\Cc3ccccc3C2=O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIZBFJUMXQKYIZ-PQMHYQBVSA-N", "SMILES:COc1cc(O)c2c(c1)O/C(=C\\c1c[nH]c3nc(Cl)ccc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOVTWRCTMFMRT-UUASQNMZSA-N", "SMILES:O=C1/C(=C/c2cc(-c3ccncc3)[nH]n2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEQXIOGHJWWJA-BCHBDCPOSA-N", "SMILES:COCCOCOc1cc2c(cc1C13CC4CC(CC(C4)C1)C3)C(=O)/C(=C/c1ccc(C(=O)O)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL593229", "category": ["biolink:ChemicalEntity"], "name": "AUREUSIDIN", "xref": ["InChIKey:WBEFUVAYFSOUEA-PQMHYQBVSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5274547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQRMJHVCEPSKGB-HMAPJEAMSA-N", "SMILES:O=C1/C(=C/c2c3ccccc3cc3ccccc23)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNUAZFAJIZSBF-FYWRMAATSA-N", "SMILES:O=C1/C(=C(\\O)c2cccc(Br)c2)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOODQNGPTAEDTA-BOPFTXTBSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\n1ccc3ccccc31)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2220507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDVCLPMRJWHUAA-OQLLNIDSSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRZJZJKDBFVBRU-NTUHNPAUSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYPNACZDWUZROL-JJFYIABZSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1cc[n+](Cc3ccccc3F)cc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTIXOKIFMJVBJE-WOJGMQOQSA-N", "SMILES:COc1ccc(NC(=O)Oc2cccc(/C=C3\\Cc4cc(OC)c(OC)cc4C3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVGABZRHRYHCCO-XSFVSMFZSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(OCCN3CCCCC3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOEXTUMFTKFTCW-FMCGGJTJSA-N", "SMILES:CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\\c1ccc3c(c1)OCO3)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVNXNQHXOCGGQP-FBHDLOMBSA-N", "SMILES:O=C1/C(=C/c2c[nH]c3ncccc23)Oc2cc(OCc3cccc(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2069433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVAZLHBKFAQQI-SXGWCWSVSA-N", "SMILES:CN(C)c1ccc(/C=C2\\Nc3ccc(I)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSEROLXTBSMDEE-NTEUORMPSA-N", "SMILES:CN(C)c1ccc(/C=C2\\Cc3cc(I)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWEBLWPFYINVNF-SFQUDFHCSA-N", "SMILES:O=C1/C(=C/c2ccc(-c3ccc(CO)cc3)s2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALIFVUCAGHUQG-LDADJPATSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C/c1ccccc1OCCc1cccs1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORRUQJMDPIWMTK-ZDUSSCGKSA-N", "SMILES:COc1scnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMDFCDZHESVZLT-KRWDZBQOSA-N", "SMILES:O=C1CCCN1c1cccnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSQNCTPAQJYMNQ-AWEZNQCLSA-N", "SMILES:O=C1CCCN1c1nsnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOZPDMNGWDEVIQ-LOACHALJSA-N", "SMILES:CC1CCN(c2nsnc2N2CCN(C[C@H]3COc4ccccc4O3)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOPBAJPPLIHMU-HNNXBMFYSA-N", "SMILES:CC1(C)CCN(c2nsnc2N2CCN(C[C@H]3COc4ccccc4O3)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCLCECHVARXGSE-ZDUSSCGKSA-N", "SMILES:CN(C)C(=O)c1nsnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLZOBFSMYMYCH-AWEZNQCLSA-N", "SMILES:c1ccc2c(c1)OC[C@H](CN1CCN(c3nsnc3Nc3ccncn3)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCGGQQBQYOWAIH-ZDUSSCGKSA-N", "SMILES:O=C1NCCN1c1nsnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRODJVADKAWZOB-AWEZNQCLSA-N", "SMILES:CN1CCN(c2nsnc2N2CCN(C[C@H]3COc4ccccc4O3)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQALQDZKSIKLQV-INIZCTEOSA-N", "SMILES:Cc1c(N2CCNC2=O)c(N2CCN(C[C@H]3COc4ccccc4O3)CC2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDARCSYTAAPIJV-HNNXBMFYSA-N", "SMILES:O=C1CCCN1c1ncsc1N1CCN(C[C@H]2COc3ccccc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYYYAFDPBKZELV-UHFFFAOYSA-N", "SMILES:CN(c1ccc(-c2ccc(-n3cccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVEWBLFCYMUGNY-UHFFFAOYSA-N", "SMILES:CC1(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCZCFOMQLDRNW-UHFFFAOYSA-N", "SMILES:Oc1cc(-n2cccn2)ccc1-c1ccc(OC2CCNCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJWYYDKYYXUFG-UHFFFAOYSA-N", "SMILES:Oc1cc(-n2cccn2)ccc1-c1ccc(OC2CCNCC2(F)F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSBJQWNBBMWICJ-UHFFFAOYSA-N", "SMILES:CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYOOCCQYSTVKL-UHFFFAOYSA-N", "SMILES:Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTRKFPRBODSBDX-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQNQABSGAQWIX-UHFFFAOYSA-N", "SMILES:CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(CC)CC5)ccc4n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCIABPGRNCLBEI-UHFFFAOYSA-N", "SMILES:Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWAOCDFZRLUHX-UHFFFAOYSA-N", "SMILES:C=C(CCNC(=O)CCCC)N1CCN(c2ccc3nc(-c4cc(F)c5nc(C)cn5c4)cc(=O)n3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LITPAOYSUGZCNV-ZBFHGGJFSA-N", "SMILES:Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2cccc(Cl)c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXKEEIMLQRZAH-CVEARBPZSA-N", "SMILES:COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAYHHGNFTVEIB-SJORKVTESA-N", "SMILES:CC(C)(C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3344079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BULPVMQBJAMSRN-MSOLQXFVSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMNBWQFOPPKRW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLHVGZLEUSFQKM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMNBWQFOPPKRW-AWEZNQCLSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMNBWQFOPPKRW-CQSZACIVSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGQMHSUZVPFXPO-DYVFJYSZSA-N", "SMILES:C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGQMHSUZVPFXPO-GUYCJALGSA-N", "SMILES:C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMZLKFORVIWKIB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)C12CC1CN(S(=O)(=O)c1ccc3c(c1)CCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMNBWQFOPPKRW-KXUKEEQVSA-N", "SMILES:[2H]C1([2H])Oc2ccc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4ccc5scnc5c4)C3)cc2C1([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFPVVPBGGPITCQ-GFCCVEGCSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPWYQFJXUSXOB-OAHLLOKOSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHROSVVAPDRMPX-GFCCVEGCSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZPUJIKQHNPJR-GFCCVEGCSA-N", "SMILES:Cc1nn(C)cc1S(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc3scnc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICSBHDNPYYCGN-CYBMUJFWSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)Nc3ccc4scnc4c3)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFPIYRVGTYDIF-MRXNPFEDSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDKQRWTOJFQKH-BJZITVGISA-N", "SMILES:O=C(C[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL24398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACUZULRKJKTHE-CZYKHXBRSA-N", "SMILES:O=C(NO)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1766896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUSYXXOLFARXLL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1nc2ccccc2c2c1CN(c1ccc(OCc3ccccc3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASASKKAOUHEXPK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc2c1C(=O)N(c1ccc(OCc3ccccc3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXGJYAJONXQKHJ-LWSSLDFYSA-N", "SMILES:CS(=O)(=O)N1CCC([C@H](C(=O)NO)[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPRWJCCGMDGLQ-HATSJDEBSA-N", "SMILES:CC(=O)N[C@H]1[C@H](OCCCn2cc(CN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c3ccc(-c4ccccc4)cc3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVUMIZAUSGCLY-JNUPWONPSA-N", "SMILES:CCC(C)N(Cc1cn(CCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)nn1)S(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHWEVKXHCYFES-RCWIFLETSA-N", "SMILES:NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWSHSRNNAHOOC-LJCKMFAXSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVIHCEARCGNMHN-KAHBXVGCSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JURNEMRVBJCVFJ-GITOHLORSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCFLJSGGFZCJE-CVGGUDLKSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCKPGLPAZRSTNN-DVWORILBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGBMUKYBTQDMSL-IRPRDAAMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUUFOAVXKDYLU-GWZPJTRNSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXRDLLAZCVACE-GOMYCMKKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGYRXMHEJTXRFR-GOMYCMKKSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACORDUNGMGQPHE-IYXPPYDQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZWNRDSVKIOYNB-IYXPPYDQSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQRFQYOZQQBQL-WIKDVRPQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDLUUWWYJBVJD-WIKDVRPQSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRMNSTSNSCJHGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCNC(=O)CCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSADQQRGHMBQEA-ABRLEHMRSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](OCc5ccccc5)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOIZISCRIVNZJJ-XWJFFXCMSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFQGYZXJAHAAW-UHFFFAOYSA-N", "SMILES:Cc1ncsc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(NC(=O)COCCOCCOCCOCCNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccc(NC(=S)NCc5ccccc5)cc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKNPXCQINZRLL-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)NCCOCCOCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCSUEITWRRFFMN-WOWBMYPPSA-N", "SMILES:COC1C[C@H](C[C@@H](C)[C@@H]2CC(=O)C(C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\\C)[C@@H](OC)C[C@@H]3CC[C@@H](C)[C@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CCC1OCCOCc1cn(CCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNUWENPJQLIQFO-RTAOZKFSSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccc(CNCCCCCCCCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)n(C)nc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLNXWFFZBQEQND-ZMVJEWKPSA-N", "SMILES:CCCCCCCCC(O)CCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCC(O)CCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLMQHAVHUYUCGH-HBNKEXNLSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC3CC3CCCCCCCCCCCCCCC3CC3CCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBVNOKCTKZEHY-IWYYXQGZSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNQNFHZZGLKSQA-ZMVJEWKPSA-N", "SMILES:CCCCCCCCCCC(O)CCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCC(O)CCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMDSBHIOSKMPCX-ZMVJEWKPSA-N", "SMILES:CCCCCCCC(O)CCCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCC(O)CCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXDPXVAPMUBTFA-ZMVJEWKPSA-N", "SMILES:CCCCCCC(O)CCCCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCC(O)CCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIWDGDMQQIPLY-HDMOBDMKSA-N", "SMILES:CCCCCCCCCCCCC(O)CCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCC(O)CCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUYYWWJKYCWCO-IWYYXQGZSA-N", "SMILES:CCCCCCCCC(=O)CCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCC(=O)CCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUQICMCINTNFK-IWYYXQGZSA-N", "SMILES:CCCCCCC(=O)CCCCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCC(=O)CCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUQYSNOAQZVBJU-FJNFWKRJSA-N", "SMILES:CCCCCCCCCCCCC(=O)CCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCC(=O)CCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGLCBLWUKTSSX-ZMVJEWKPSA-N", "SMILES:CCCCCCCCC(N)CCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCC(N)CCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPOPPVAQKSOLDZ-ZMVJEWKPSA-N", "SMILES:CCCCCCC(N)CCCCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCC(N)CCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFNUAOIJWROST-HDMOBDMKSA-N", "SMILES:CCCCCCCCCCCCC(N)CCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCC(N)CCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTHCMGFNDMAAM-UHFFFAOYSA-N", "SMILES:C=CCc1cc(CN(C)c2ccccc2)c(O)c(-c2cc(CC=C)c(O)c(CN(C)c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETUZTPZZPSORQ-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2ccc(O)c(CC=C)c2)c(O)c(C(c2cc(OC)c(OC)c(OC)c2)N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPLWHKEFUWOEG-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2ccc(O)c(CC=C)c2)c(O)c(C(c2cc(OC)c(OC)c(OC)c2)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXMEDRMIMFUCY-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2ccc(O)c(CC=C)c2)c(O)c(C(c2ccc(OC)cc2)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQUFEDMEUMKGE-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2ccc(O)c(CC=C)c2)c(O)c(C(c2ccc(Cl)cc2)N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISQNUNMMBZLGES-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2ccc(O)c(CC=C)c2)c(O)c(C(c2ccc(Cl)cc2)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCQTNPIDMUNGQ-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2ccc(O)c(CC=C)c2)c(O)c(C(c2cc(Cl)cc(Cl)c2)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDQVMHGHIQVKSQ-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2ccc(O)c(CC=C)c2)c(O)c(C(c2cc(Cl)cc(Cl)c2)N2CCC(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLNZBVRPHTNGK-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2ccc(O)c(CC=C)c2)c(O)c(C(c2cc(Cl)cc(Cl)c2)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHZXDWMZMVMHAJ-UHFFFAOYSA-N", "SMILES:C=CCc1cc(-c2cc(CC=C)c(O)c(C(c3ccc(Cl)cc3)N3CCOCC3)c2)c(O)c(C(c2ccc(Cl)cc2)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZSJJOKIGHAHP-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc3c(c2)B(O)OC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGFDXZMRPFTIS-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Br)c(Nc2ccc3c(c2)B(O)OC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMAFWSVSXUHWKY-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc3c(c2)B(O)OC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHSQKPCVTHNWQA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccc4c(c3)B(O)OC4)n2)c(OC(C)C)cc1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBFYHJMYLEINJ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc3c(c2)B(O)OC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJCLHFYGLDIJR-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3c2B(O)OC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIIZIOIRVCPAGM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3cccc4c3B(O)OC4)n2)c(OC(C)C)cc1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQSHZHRYLLNCV-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3c2B(O)OC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNUKDWWDAQPXIM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc(B(O)O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHRGACFCHDEOQP-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)ncc2Cl)cc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWKFLTCUTKSJJW-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2cc(B(O)O)ccc2OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHWAUZZXTRMMQJ-UHFFFAOYSA-N", "SMILES:COc1ccc([Se]CC(O)(Cn2cncn2)c2ccc(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCJMLQCGQEUSH-UHFFFAOYSA-N", "SMILES:OC(C[Se]Cc1ccccc1Br)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWUMHXFULXWHHL-BOTBIVCCSA-N", "SMILES:CC(C)c1ccc(-c2nc(SCC(=O)O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@H]4C[C@@H](O)[C@@H]4C([C@@]6(C)CCCC(C)(C)O6)CC[C@]45C)C3(C)C)[nH]c(=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1734", "category": ["biolink:ChemicalEntity"], "name": "SOLIFENACIN", "xref": ["InChIKey:FBOUYBDGKBSUES-VXKWHMMOSA-N", "SMILES:O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1"], "synonym": ["Solifenacin", "Solifenacin", "Solifenacin", "Solifenacine", "Solifenacina", "Solifenacin", "Solifenacin", "NSC-759144", "Vesicare"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5284728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYITZYIKGLXEN-VXKWHMMOSA-N", "SMILES:O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGIHKAKLSATQS-XQFMJXHWSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@H](C3CN4CCC3CC4)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGIHKAKLSATQS-VYCPFJESSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@@H](C3CN4CCC3CC4)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPCFEVGOVZPFDN-FPOVZHCZSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@@]3(CCNC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNDHACKHHYZMOV-RBBKRZOGSA-N", "SMILES:CN1CC[C@@]2(CN=C(N3CCc4ccccc4[C@@H]3c3ccc(F)cc3)O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNDHACKHHYZMOV-UNMCSNQZSA-N", "SMILES:CN1CC[C@]2(CN=C(N3CCc4ccccc4[C@@H]3c3ccc(F)cc3)O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLQDPMUDTLRKND-CBQOVEMMSA-N", "SMILES:N[C@@H]1CC[C@@]2(CN=C(N3CCc4ccccc4[C@@H]3c3ccc(F)cc3)O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUNXHMUWZMATF-SSPYTLHUSA-N", "SMILES:CN(C)[C@H]1CC[C@@]2(CN=C(N3CCc4ccccc4[C@@H]3c3ccc(F)cc3)O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUNXHMUWZMATF-ODGPQVTHSA-N", "SMILES:CN(C)[C@H]1CC[C@]2(CN=C(N3CCc4ccccc4[C@@H]3c3ccc(F)cc3)O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCAFPQOHLGSGD-RRPUWOKSSA-N", "SMILES:CN(C)[C@H]1C[C@@]2(CN=C(N3CCc4ccccc4[C@@H]3c3ccc(F)cc3)O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDOIWGWGDAUWAF-JTHBVZDNSA-N", "SMILES:OCCN1CC[C@@]2(CN=C(N3CCc4ccccc4[C@@H]3c3ccc(F)cc3)O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSQYMJOKFZSSX-LADGPHEKSA-N", "SMILES:OCCCN1CC[C@@]2(CN=C(N3CCc4ccccc4[C@@H]3c3ccc(F)cc3)O2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOJSGONVLYCAF-AHRSYUTCSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@H]3CNC[C@H]3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXEVPCBDTKMVGE-VDGAXYAQSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=N[C@H]3CNC[C@H]3CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFDMJARGAXCCI-WMQCIHAUSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@@H]3CNCC[C@H]3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFDMJARGAXCCI-YYWHXJBOSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@@H]3CNCC[C@@H]3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNHLSEAWMMUMJY-UIFIKXQLSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@H]([C@@H]3CCNC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNHLSEAWMMUMJY-WMQCIHAUSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@H]([C@H]3CCNC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNHLSEAWMMUMJY-YYWHXJBOSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@@H]([C@H]3CCNC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNHLSEAWMMUMJY-QMMLZNLJSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@@H]([C@@H]3CCNC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNAPJNONDNEMN-UXHICEINSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@H](C3CNC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNAPJNONDNEMN-PMACEKPBSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@@H](C3CNC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NELXELZKPITJOZ-OALUTQOASA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@@H](C3(F)CNC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NELXELZKPITJOZ-MOPGFXCFSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@H](C3(F)CNC3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWHTUPMKHSVCF-MOPGFXCFSA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=N[C@@H](C3(F)CNC3)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWHTUPMKHSVCF-OALUTQOASA-N", "SMILES:Fc1ccc([C@H]2c3ccccc3CCN2C2=N[C@H](C3(F)CNC3)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIMVAQJQATOMU-OSRKTWERSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)O)CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC3=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JANHCNHLQNQZQS-WZMYVTDBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)O)CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC3=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONNDNYWMXEIQJ-PHIYFGQBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CN)CSSC[C@@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N3)NC(=O)[C@H]([C@@H](C)CC)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGHGNXYWUVTGMS-BPQIPLTHSA-N", "SMILES:Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OC[C@H]1CN(C(=O)[C@H]2CCOC2)CCN31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWELHDSHFPVSNI-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2ccc(-c3cccnc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAQUFUHHQJFNF-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2ccc(-c3cncc(O)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHFOYAVJKHGBEL-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIQSIOZCBAIBDR-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOWZSBFKHYIANX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTNGLYSRYVJRB-UHFFFAOYSA-N", "SMILES:NCCOc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPCWXGVVHHQNTJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2ccc(-c3cncc(NCCO)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQZDTKWBNWWIDE-UHFFFAOYSA-N", "SMILES:NCCNc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSSUJCNVYPSDG-UHFFFAOYSA-N", "SMILES:NCC(=O)Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJEXBYVIDPXIBM-QHCPKHFHSA-N", "SMILES:N[C@H](COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJEXBYVIDPXIBM-HSZRJFAPSA-N", "SMILES:N[C@@H](COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQTQYWDGDRKZSH-XMMPIXPASA-N", "SMILES:N[C@H](COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQTQYWDGDRKZSH-DEOSSOPVSA-N", "SMILES:N[C@@H](COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSTSMXLBOZDZHJ-VWLOTQADSA-N", "SMILES:O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@H](O)c4ccccc4)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSTSMXLBOZDZHJ-RUZDIDTESA-N", "SMILES:O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@@H](O)c4ccccc4)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDZCVSJGYQSCCO-QHCPKHFHSA-N", "SMILES:O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@@H](CO)c4ccccc4)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDZCVSJGYQSCCO-HSZRJFAPSA-N", "SMILES:O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@H](CO)c4ccccc4)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRFEYKWKAWGAL-NRFANRHFSA-N", "SMILES:O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@@H](CO)Cc4ccccc4)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRFEYKWKAWGAL-OAQYLSRUSA-N", "SMILES:O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@H](CO)Cc4ccccc4)c3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOIDDIAWOSDERZ-QHCPKHFHSA-N", "SMILES:NC[C@@H](CNc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBQDUDIHLWHMU-DEOSSOPVSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBQDUDIHLWHMU-XMMPIXPASA-N", "SMILES:N[C@H](Cc1ccccc1)C(=O)Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSWVPKLCGKLABE-DEOSSOPVSA-N", "SMILES:N[C@H](C(=O)Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSTRBHWJZOVRDC-MHZLTWQESA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(NC[C@H](O)c5ccccc5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSTRBHWJZOVRDC-HHHXNRCGSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(NC[C@@H](O)c5ccccc5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADBFXGGKHHVNR-HHHXNRCGSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(N[C@H](CO)c5ccccc5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJNPBOWCTJZTHG-SANMLTNESA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(N[C@H](CO)Cc5ccccc5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKBVXKJICHLRV-SANMLTNESA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(NC(=O)[C@@H](N)Cc5ccccc5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVJBBMJZRSVHI-MHZLTWQESA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(NC(=O)[C@@H](N)c5ccccc5)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMMXIPQFQKQIEY-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLJOFQUXYAWOPE-UHFFFAOYSA-N", "SMILES:COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUAOPWRSCDURL-AZGAKELHSA-N", "SMILES:c1cncc(C[C@H]2[C@H](Oc3ccc(-c4ccc5[nH]ccc5c4)cn3)C3CCN2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALGQHHHCUISTSF-ILBGXUMGSA-N", "SMILES:c1cncc(C[C@@H]2[C@H](Oc3ccc(-c4ccc5[nH]ccc5c4)nn3)C3CCN2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYGGRYSOINDCAP-UKILVPOCSA-N", "SMILES:c1cncc(C[C@H]2[C@H](Oc3cnc(-c4ccc5[nH]ccc5c4)cn3)C3CCN2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALGQHHHCUISTSF-UKILVPOCSA-N", "SMILES:c1cncc(C[C@H]2[C@H](Oc3ccc(-c4ccc5[nH]ccc5c4)nn3)C3CCN2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALGQHHHCUISTSF-NOZRDPDXSA-N", "SMILES:c1cncc(C[C@@H]2[C@@H](Oc3ccc(-c4ccc5[nH]ccc5c4)nn3)C3CCN2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGNBOYHACXVNU-OFNKIYASSA-N", "SMILES:Nc1nc2ccc(-c3ccc(O[C@H]4C5CCN(CC5)[C@@H]4Cc4cccnc4)nn3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKWHETNMJXBGTO-CTNGQTDRSA-N", "SMILES:c1cncc(C[C@@H]2[C@@H](Oc3ccc(-c4ccc[nH]4)nn3)C3CCN2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADPGBLDMLCUZBX-RTWAWAEBSA-N", "SMILES:c1cncc(C[C@@H]2[C@@H](Oc3nnc(-c4ccc5[nH]ccc5c4)s3)C3CCN2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHRMJWYROCGIKU-IRLDBZIGSA-N", "SMILES:c1cncc(C[C@@H]2[C@@H](Oc3cc4ccccc4cn3)C3CCN2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYMRNQWSQYOLB-IRLDBZIGSA-N", "SMILES:c1cncc(C[C@@H]2[C@@H](Oc3ccc4ccccc4n3)C3CCN2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRDESOBNOVWPL-JTHBVZDNSA-N", "SMILES:c1ccc(-c2ccc(O[C@@H]3C4CCN(CC4)[C@H]3Cc3cccnc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNUIOCYBBUEHK-MOPGFXCFSA-N", "SMILES:c1ccc(-c2nnc(O[C@H]3C4CCN(CC4)[C@@H]3Cc3cccnc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIUALIXNVCTMD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-n2nc(C)c(-c3c(C)ccc4[nH]ncc34)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QICYTGBHUIUDSQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-n2nc(C)c(-c3c(C)ccc4[nH]ncc34)c2C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNNJRNFDCLOQZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-n2nc(C(C)C)c(-c3c(C)ccc4[nH]ncc34)c2C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKOCJZEGFKLCM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2nn(C(C)C)c(-c3c(C)ccc4[nH]ncc34)c2C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCVIXSDRFKCQT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-n2nc(C(C)C)c(-c3c(C)ccc4[nH]ncc34)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGOZPMAIJYXMFZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-n2nc(C(C)C)c(-c3c(C)ccc4[nH]ncc34)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRLUHGPJSFPQKU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(C(C)C)c(-c4c(C)ccc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUHHBMSVCDTTCX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(C4CCCCC4)c(-c4c(C)ccc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJXPAVGHNHVEO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(C4CCCCC4)c(-c4c(Cl)ccc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPSWEICMVSMBQY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4cccnc4)c(-c4c(Cl)ccc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHXPVVRDTOITEP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4cccnc4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUVKJQYIVXZDDP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4cccnc4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C(F)F)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLAUFQPTWMOAEX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4cccnc4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3CC#N)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTCYLIANVYSGL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccccn4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWYMNUYUDBBQTQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccccc4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APRMCKQFBKENDU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5[nH]ncc5c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVMXYMIEZNSWPU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5cn[nH]c5c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVZWTXEIRYGIH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(c4)ncn5C)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUSCRAKRIGLPT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5nnccc5c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQUOYUTTVTTQF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(cnn5CCN(C)C)c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWEAVCHZUWFZMO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5nn(CCN6CCOCC6)cc5c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHNDCHNXJTZBPQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(cnn5CCOC)c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYWKAJMIXYEAW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5nn(CCOC)cc5c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHCZFHVWMCIUJH-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLCFLMXSXBJMB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMMTQCQDCOGLJ-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRJQQTWIVRYBG-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGAPMTVCFCVHL-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFEFXHCMMQBARM-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNNSUWSPDQKON-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCO4)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZTHHXBUGHRRQX-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVKVIIMWGUOBR-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWUHEYLDBRSIRJ-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORESKGGQJLNTCM-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNJMTYQGZSIMO-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(N(S(=O)(=O)c3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVQFRZHUCLHYKM-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPCREHDUHDFAU-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQLQFWNFWSRBRS-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHUYRIDWSHPVGA-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAJTTQGOWTNBK-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFLSSUKEWQOPQO-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDARZHMPJRWQLB-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGWQDKBZORLFI-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHYFWFKBVRNSO-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBVXWVKJXJFSJ-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOCJXKIESOEZAQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCCc3cc(NS(=O)(=O)c4cc(Cl)c(C)cc4OC)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPWSCHPTJQUJC-UHFFFAOYSA-N", "SMILES:C#CC1=C(SCC(=O)c2ccccc2)NC(C)=C(C(C)=O)C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRSFJBQMNVXAHA-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNMQBBTNORDTI-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZUEYWNYFPRSJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWBPPRSRIFBYGK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDUBITIHJNDUQR-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)Nc3ccc4c(c3)CCCN4C(=O)c3ccco3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCBTFVHUFFVNM-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKIBQLDANKHOI-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)N(c1ccc2c(c1)CCCN2C(=O)c1ccco1)S(=O)(=O)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRZWJJIAQESFA-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWRQTKAOLXKOHO-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)CCCN3C(=O)c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWZWPDAHMTYUOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(c2ccc3c(c2)CCCN3C(=O)c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVEAXCPKMHOTQU-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(N(S(=O)(=O)c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDXZEENUKMJAQV-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(N(S(=O)(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKNVGUTLNWXJC-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(N(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYTUNZMUBFHEK-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(N(S(=O)(=O)c3cccs3)S(=O)(=O)c3cccs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKJYULNSRVBJSN-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(N(S(=O)(=O)c3cc4ccccc4s3)S(=O)(=O)c3cc4ccccc4s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGOVSDRKYMNKC-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(N(S(=O)(=O)c3ccc4c(c3)CCCC4)S(=O)(=O)c3ccc4c(c3)CCCC4)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLYMXAOWXAVKW-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRWCQAUIQXYCLK-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDIXDCGAMNDIJB-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYCLNJBVFZEQPD-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFVXGULVTUNMM-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMRYYAYXNFIDRW-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTJMUXRHNIRVEE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCCc3cc(NS(=O)(=O)c4cc(Cl)c(C)cc4OC)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDESPFDDJVHUND-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(C(=O)N2CCCc3cc(NS(=O)(=O)c4cc(Cl)c(C)cc4OC)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTLZTTBWUNDPID-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C(=O)N2CCCc3cc(NS(=O)(=O)c4cc(Cl)c(C)cc4OC)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIGWHAAHQIDME-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3cccs3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBRSRVOGKYAEO-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)CCc3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQAUVNHEXRFHO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)CCCN3C(=O)c2ccco2)S(=O)(=O)c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXWBHECFJJKVHJ-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGAZRDDFBPBOQD-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)nc2)nc2c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGNPXGGRHSRKNJ-OWOJBTEDSA-N", "SMILES:N#C/C=C/c1cc(F)c(Oc2nc(Nc3ccc(C#N)nc3)nc3ccsc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDJJMJTOAYQLT-OWOJBTEDSA-N", "SMILES:N#C/C=C/c1cc(F)c(Oc2nc(Nc3ccc(C#N)c(F)c3)nc3c2COC3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEHEGAMSKXLKJ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccc(-c3ccc(C)cc3)c2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLZSWLBRULJZCZ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cccc(C(=O)Cc3c(CC=C(C)C)c(OC)cc(O)c3C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOGRQJMHOWRTBI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)Cc3c(CC=C(C)C)c(OC)cc(O)c3C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXKYWEHLEKQUMA-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccc(-c3ccc(Cl)cc3)c2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUMKHCKNMFPGZ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccc(-c3ccc(F)cc3)c2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWOEVZOTCLUGE-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccc(-c3ccccc3Cl)c2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBWCLJZTJFTHQT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(=O)Cc3c(CC=C(C)C)c(OC)cc(O)c3C(=O)O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRDHTURMFIDSC-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccc(C3CC3)c2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGTWIORGDXGEN-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccc(-c3ccsc3)c2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTWKYEPZXFGVCF-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccc(-c3cccnc3)c2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKYUEOFLOXURP-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccc(-c3cncnc3)c2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNSPALXXZXIZNL-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccc(-c3ccnc(Cl)c3)c2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAOHVKLCCJXLHN-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)O)c(CC(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOXOJFSHQZDPCY-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)c2cccc(-c3ccccc3Cl)c2)c(C(=O)O)c(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFNSIIBIIKPGT-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)c2cccc(C3CC3)c2)c(C(=O)O)c(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XISSNKAXUWKVML-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)c2cccc(-c3ccsc3)c2)c(C(=O)O)c(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKFIHCLEQFBEG-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)c(C(=O)O)c(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBLKCJCNUWPFL-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)c(C(=O)O)c(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVWSHWWLAFDNHD-NRFANRHFSA-N", "SMILES:Cc1c(C)n(Cc2ccc(C(C)(C)C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXYIUJFMKXXNJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCVSICZGSGRAAQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEKWTVRPSQJRV-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUGRBDLZRJBJNR-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLLCROULWZZIA-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBMLBCRHVMGKM-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQVSZHDRWVDDOP-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPOVVQKJTZQCB-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCOKGIAQUHAOH-UHFFFAOYSA-N", "SMILES:CCCC(=O)OCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXDLFLDQPYKLU-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)OCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQVTFAUFGPCHU-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)OCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYALKGVAYJUOLE-UHFFFAOYSA-N", "SMILES:CCCCCCCCOCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQRHHDLMJBNFO-UHFFFAOYSA-N", "SMILES:CCOCCCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXBJKUHHCYVRFY-UHFFFAOYSA-N", "SMILES:Cc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL101296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDCLNRSFGFOLO-UHFFFAOYSA-N", "SMILES:CCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMPRMXLNQCPSPS-UHFFFAOYSA-N", "SMILES:CCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPCBRFOSWMALO-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJQGDLSZXJALO-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(N/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGICMYLULQWKIG-UHFFFAOYSA-N", "SMILES:CCCCCCCc1ccc(N/C=N/O)cc1"]}
{"name": "Cytochrome P450 4F11", "xref": ["CHEMBL.TARGET:CHEMBL4295949"], "id": "UniProtKB:Q9HBI6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINGHOPGNMYCAB-MRXNPFEDSA-N", "SMILES:CC(C)NC(=O)N1CC[C@@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDZJCVNJNGVFD-DVRVPOOOSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(NCCCCCCCCNC(=O)N4CC[C@H](NC5=Nc6cc(F)ccc6N(CC(F)F)c6ccc(Cl)cc65)C4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLXOEYRLLVMPJB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILCJZQENJKTHC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn4c5c(cccc35)OCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYQYOLFXHDNNEC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWALQRNNTYGQY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn4c5c(cccc35)OCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDFLCARWFPGROU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3c4n(c5ccccc35)CCOC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCNOQNVAMICQON-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3c4n(c5ccccc35)CCOC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEPKZTQXMCCRFJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNJZRPSXFNKCV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVAQIYRGODMQEF-UHFFFAOYSA-N", "SMILES:C#Cc1cnc(Nc2cc(NC(=O)C=C)c(N(C)CCN(C)C)cc2OC)nc1-c1cn2c3c(cccc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRFBEABCFZYNJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)CC)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFAPFAAZEZMALN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFKQINRAIVSLMU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OCC)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYDASVQCOOGEOM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBTZXPQQMMWAL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)NC)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBXSBJBGXGZDPD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(-c3ncco3)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VISFMAFQFDLJME-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(-c3nnco3)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSWWBZJBFHSOQH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(-c3nc(C)no3)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOTYHUHTSCFCTA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(-c3ccnn3C)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDZWQTFXFLWLKT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(-c3cnn(C)c3)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNSOOAPEHXTGF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(-c3cnn(C(C)C)c3)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXAZQWJCOUIOPS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZMHSXKERLEIN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OCC)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDZREOHPCZNERK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC3CCC3)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDHCFKKUVBCBBI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OCC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDTGYJGRULJHQZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(CC)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYGTSPFGMKIEK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHLHKPYGNVLWFW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C(C)=O)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MILBIPKHYWBIPY-JOCHJYFZSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)C[C@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MILBIPKHYWBIPY-QFIPXVFZSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)C[C@@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQXARSVRDPJIEQ-RCJYHZQCSA-N", "SMILES:COc1cccc(/C=C/C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZOWQGJIQJZCF-YTIHOSAGSA-N", "SMILES:COc1ccc(/C=C/C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLVZOJWYFHBDZ-RCJYHZQCSA-N", "SMILES:COc1cccc(/C=C/C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUSOTUHCHGTAN-KAYWLYCHSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@@H](O)COC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUSOTUHCHGTAN-SXOMAYOGSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@H](O)COC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUSOTUHCHGTAN-RRPNLBNLSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@@H](O)COC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUSOTUHCHGTAN-SVBPBHIXSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@H](O)COC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYFJJGDZUXTIC-KAYWLYCHSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@@H](O)COC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYFJJGDZUXTIC-SXOMAYOGSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@H](O)COC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYFJJGDZUXTIC-RRPNLBNLSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@@H](O)COC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYFJJGDZUXTIC-SVBPBHIXSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@H](O)COC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJVZDGRLIYMOS-KAYWLYCHSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@@H](O)COC[C@@H](Cc2ccccc2)NC(=O)c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJVZDGRLIYMOS-SXOMAYOGSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@H](O)COC[C@@H](Cc2ccccc2)NC(=O)c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJVZDGRLIYMOS-RRPNLBNLSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@@H](O)COC[C@H](Cc2ccccc2)NC(=O)c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJVZDGRLIYMOS-SVBPBHIXSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@H](O)COC[C@H](Cc2ccccc2)NC(=O)c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCORXOBTLFNQOU-SZAHLOSFSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@@H](O)COC[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCORXOBTLFNQOU-HEVIKAOCSA-N", "SMILES:N#Cc1ccccc1N1CCN(C[C@H](O)COC[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULQDLVLVQKVZBG-GGXMVOPNSA-N", "SMILES:O=C(OC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUMUKJQPRBFHR-FEKKGMOTSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(NCCC3(O)COC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQESIHMUUSRXTJ-LOIBZFJVSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(NCC[C@]3(O)CC[C@](C)(O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOKRSVAREFEYFD-GAVOBVNUSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(NCC[C@]3(O)CC[C@@H](S(C)(=O)=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCMBXLOYNCFFFY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1"]}
{"name": "CTP synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL5291523"], "id": "UniProtKB:P17812", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBSFIDDOVRQATM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGMZYTZGGDVJU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOBYJHSKWILJCS-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFIDURKXYPJRLN-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDLAOMKTVJGDP-UHFFFAOYSA-N", "SMILES:CC(C)(C)S(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDAVEQDKJINGMG-UHFFFAOYSA-N", "SMILES:COCCS(=O)(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYIPOUBMDZAYLZ-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NS(=O)(=O)C(F)(F)F)n1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFNSKHGUIKWVJF-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1csc(NS(=O)(=O)C2CC2)n1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAYNSEIPWMLTBV-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(NS(=O)(=O)C2CC2)n1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWRUZZBDAGYGFX-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZOFBVANRQQZDH-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(NC(=O)Cc2csc(NS(=O)(=O)C3CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZBBUOHVOLFGS-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(NC(=O)Cc2csc(NS(=O)(=O)C3CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIZPRDTGFFJDQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJGMGMBGGYSGN-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWXMQLACYUZBOZ-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCPEFRWLYUUBA-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVWETQVKOPACV-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOFWACRQRIBLW-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOEWQRNBSGZWMC-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(NC(=O)C(C)(C)c2csc(NS(=O)(=O)C3CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPLOYGIYFRQQBR-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFOOFKTWHBKQF-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRRIFMIEOOQTNW-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)c2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKFGIMQRDHOBOP-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIDGRDZSFIUHX-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cn1)c1csc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYTMTVBQIJBDGR-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQJMHYQQHZARMG-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NC(=O)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cs1"]}
{"name": "CTP synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL5291524"], "id": "UniProtKB:Q9NRF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CTP synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL5291535"], "id": "UniProtKB:Q5U2N0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "CTP synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL5291502"], "id": "UniProtKB:P70303", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "CTP synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL5291600"], "id": "UniProtKB:P70698", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCRDRKNQRFREX-SFHVURJKSA-N", "SMILES:O=C(O)[C@H](CCCn1c(-c2ccccc2)n[nH]c1=S)N(Cc1c[nH]cn1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDOXVHFCWFATRN-KRWDZBQOSA-N", "SMILES:O=C(O)[C@H](CCn1c(-c2ccccc2)n[nH]c1=S)N(Cc1c[nH]cn1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXFIRCHAKLZTEP-QFIPXVFZSA-N", "SMILES:O=C(O)[C@H](CCCn1c(-c2ccccc2)n[nH]c1=S)N(Cc1ccccn1)Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJYYFVNIIVDENK-IBGZPJMESA-N", "SMILES:Cc1[nH]cnc1CN(Cc1c[nH]cn1)[C@@H](CCCn1c(-c2ccccc2)n[nH]c1=S)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELQVWOFXJTAFN-QFIPXVFZSA-N", "SMILES:O=C(O)[C@H](CCCn1c(-c2ccc3ccccc3c2)n[nH]c1=S)N(Cc1c[nH]cn1)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RASCFMYPAZDCKQ-QFIPXVFZSA-N", "SMILES:O=C(C[C@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1)NO"]}
{"name": "Endoplasmic reticulum aminopeptidase 1", "xref": ["CHEMBL.TARGET:CHEMBL3414412"], "id": "UniProtKB:Q9EQH2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKVPQCMWJGJSG-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCC(=O)NCCOCCOCCOCCOC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1390665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UROAGBRHXNLTPV-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cnc3n2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYAHNUIYYOOZEN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSUMULVHTXISHH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLELLOLWPKLTHX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Cl)cc3)C4=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZUYYULYXSVVHQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNBGSCKJUKPSDH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COC(=O)c3ccc4c(c3)C(=O)N(c3cccc(F)c3)C4=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLVMEDORIQWFPV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3I)C4=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNAIWAZVDQQDMK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cn(-c5ccc(S(N)(=O)=O)cc5)nn4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWWVNAOGVSRMHH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COC(=O)c3ccc4c(c3)C(=O)N(c3cccc5ccccc35)C4=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNJQVLYQHWMMHP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(COC(=O)c3ccc4c(c3)C(=O)N(Cc3ccc5c(c3)OCO5)C4=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQOBEXOEPZAQRJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1C(=O)c2ccc(C(=O)OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHKJNNRTQJGJPR-UHFFFAOYSA-N", "SMILES:CCCCCCN1C(=O)c2ccc(C(=O)OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJFPNKWMXKHGKK-UHFFFAOYSA-N", "SMILES:CCCCN1C(=O)c2ccc(C(=O)OCc3cn(-c4ccc(S(N)(=O)=O)cc4)nn3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHFIAUKMKYHHFA-UHFFFAOYSA-N", "SMILES:N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BURDQUKVCPYGRG-UHFFFAOYSA-N", "SMILES:CC(C)C(O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3732012", "category": ["biolink:ChemicalEntity"], "name": "GDC-0134", "xref": ["InChIKey:SKMKJBYBPYBDMN-RYUDHWBXSA-N", "SMILES:Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F"], "synonym": ["Gdc-0134", "Rg-6000"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFVOKJJQCQLJX-TYUFSLCMSA-N", "SMILES:Nc1cnc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUJWSXIGZUDUAB-QQFIATSDSA-N", "SMILES:Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNZDVAQMFNPMG-QQFIATSDSA-N", "SMILES:Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYENDIAEYZIMIV-RYUDHWBXSA-N", "SMILES:Nc1ncc(-c2cc(C3CC3)nc(N3C[C@@H]4C[C@H]3CO4)c2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWQYILBUZALMLM-GJZGRUSLSA-N", "SMILES:Nc1ncc(-c2cc(C3CC3)cc(N3C[C@@H]4C[C@H]3CO4)c2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIRIQGHXPJDILQ-RYUDHWBXSA-N", "SMILES:Nc1ncc(-c2cc(C3CC3)cc(N3C[C@@H]4C[C@H]3CO4)n2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSNRHEHUJCWRAQ-UWVGGRQHSA-N", "SMILES:Nc1ncc(-c2cc(C3CC3)nc(N3C[C@@H]4C[C@H]3CO4)n2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMXUWUGBGXEFFR-RYUDHWBXSA-N", "SMILES:Nc1ncc(-c2cc(N3CCC(F)(F)C3)nc(N3C[C@@H]4C[C@H]3CO4)c2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOWUCCPLVGOHMV-UWVGGRQHSA-N", "SMILES:Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVWDJSXSWJBVBP-UWVGGRQHSA-N", "SMILES:Nc1ncc(-c2cc(N3CCC(F)(F)C3)nc(N3C[C@@H]4C[C@H]3CO4)n2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APYQWPISTZCVOT-MOQPVCNJSA-N", "SMILES:COC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)n2)cc(N2CC3CC2C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVWDJSXSWJBVBP-NXEZZACHSA-N", "SMILES:Nc1ncc(-c2cc(N3CCC(F)(F)C3)nc(N3C[C@H]4C[C@@H]3CO4)n2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPIBQJUQSJKOA-QQFIATSDSA-N", "SMILES:Nc1ncc(-c2cc(N3CC4CC3C4)nc(N3C[C@@H]4C[C@H]3CO4)n2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWGNKCGTAROOP-YUMQZZPRSA-N", "SMILES:CSc1cc(-c2cnc(N)c(OC(F)F)n2)nc(N2C[C@@H]3C[C@H]2CO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKHHVJIISFQCL-BHDSKKPTSA-N", "SMILES:Nc1ncc(-c2cc([C@@H]3CCCO3)nc(N3C[C@@H]4C[C@H]3CO4)n2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKHHVJIISFQCL-PKFCDNJMSA-N", "SMILES:Nc1ncc(-c2cc([C@H]3CCCO3)nc(N3C[C@@H]4C[C@H]3CO4)n2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQLAMFMVULXILA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cc(N3CCC(F)(F)C3)nc(N3CC4CC(C3)O4)n2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNJYGXCFZHONL-RYUDHWBXSA-N", "SMILES:CCOC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2cnc(N)c(OC(F)F)n2)cc(N2CCC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKALQBFVHDTVCS-HOAMVYINSA-N", "SMILES:CCOC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2cnc(N)c(OC(F)F)n2)cc(N2CC3CC2C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWXXJNYXNYPRY-KBPBESRZSA-N", "SMILES:Cc1ccc(N2C[C@@H]3C[C@H]2CN3c2nc(-c3cnc(N)c(OC(F)F)n3)cc(N3CCC(F)(F)C3)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQQYNNJZQBRUAR-UWVGGRQHSA-N", "SMILES:CCOC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(SC)cc(-c2cnc(N)c(OC(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBBJVNCJPHHXME-RYUDHWBXSA-N", "SMILES:CCOC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2cnc(N)c(OC(F)F)n2)cc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCMHPGIODKFPJ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cc(Cl)c(O)c(Cl)c2)Oc2cccc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQREYZMFZIOBC-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cc(Cl)c(O)c(Cl)c2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOSBDBOXKLAPRA-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)c(Cl)c2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNIQUZTZFWXADO-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cc(Cl)c(O)c(Cl)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMKIEBXONQNTMQ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cc(Cl)cc(Cl)c2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUZDALKTJYTIAD-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(Cl)cc2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPAZWAARDSINJM-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)c(Cl)c2)Oc2cccc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBLMZIFUCRAJOY-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)c(Cl)c2)Oc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTZLGJJHNKNSB-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)c(Cl)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQCDLSKPXDJBHI-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cc(Cl)c(O)c(Cl)c2)Oc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBXHVLCJHPPPMZ-GASCZTMLSA-N", "SMILES:C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ccn2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLEMMFZZOXPQRS-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(c2cc(-c3ncn4ccc(-c5cnn(C)c5)cc34)ccn2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMPTHAKJYHYRB-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(c2cc(-c3ncc4ccc(-c5cnn(C)c5)cn34)ccn2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLBMPAIKDCGEES-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSEWSKYCIIGPIN-OKILXGFUSA-N", "SMILES:C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5ccn[nH]5)cc43)ncn2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNAPQDLGQLPJHQ-GASCZTMLSA-N", "SMILES:C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5ccn[nH]5)cc43)ncn2)C[C@H](C)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRARLYUCKQLJEU-MRXNPFEDSA-N", "SMILES:CC(C)(O)[C@@H]1CCN(c2cc(-n3ncc4ccc(-c5ccn[nH]5)cc43)ncn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHHZMPDXMQZDE-UHFFFAOYSA-N", "SMILES:CC(C)(O)C12CC(C1)N(c1cc(-n3ncc4ccc(-c5ccn[nH]5)cc43)ncn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMYDAGYVUISTFU-HDICACEKSA-N", "SMILES:C[C@@H]1CN(c2cc(-n3ncc4ccc(CC5(C#N)CCC5)cc43)ncn2)C[C@H](C)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBYAECXFBIYQX-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(c2cc(-n3ncc4ccc(CCC#N)cc43)ncn2)C[C@H](C)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFAEVGLSCFNOD-UHFFFAOYSA-N", "SMILES:CC(C)(O)C12CC(C1)N(c1cc(-n3ncc4ccc(C5(C#N)CC5)cc43)ncn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLUJHOALFNZHBQ-NJLVJEJVSA-N", "SMILES:C[C@H]1CC1(C#N)c1ccc2cnn(-c3cc(N4CC5(C(C)(C)O)CC4C5)ncn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNGUPWVPSHQGL-UHFFFAOYSA-N", "SMILES:CC(C)(O)C12CC(C1)N(c1cc(-n3ncc4ccc(C5(C#N)CC5(C)C)cc43)ncn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZASHTRAILQEHRA-UHFFFAOYSA-N", "SMILES:CC(C#N)(c1ccc2cnn(-c3cc(N4CC5(C(C)(C)O)CC4C5)ncn3)c2c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXPLAVPWWUICR-QJDQLVHXSA-N", "SMILES:CC(C)(O)C12CC(C1)N(c1cc(-n3ncc4ccc([C@]5(C#N)CC56CC6)cc43)ncn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXPLAVPWWUICR-XTEKXTAFSA-N", "SMILES:CC(C)(O)C12CC(C1)N(c1cc(-n3ncc4ccc([C@]5(C#N)CC56CC6)cc43)ncn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5316222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOMOZQNGSURDN-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRIYUNKTWVXQOC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYGLTBEVVCTSX-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cccc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTTAHBDGCKLNOT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3ccccc3C(C)(C)C)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWJFGYPFDPOOPW-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cccc(C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDDDDGZDKSZIDH-UHFFFAOYSA-N", "SMILES:CCc1cccc(NC(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNSSRBZELQGYGM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cccc(C(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJFBTZTUJGUFH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cccc(N(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVDZAGPSCWRTR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cccc(N4CCCC4)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYOSQPPBOJHIIK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cccc(N4CCCCC4)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMKDEGSHTKKGIE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cccc(-n4cccc4)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCKWELTQDFYKR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFVGYJFRVSSNS-UHFFFAOYSA-N", "SMILES:CCOc1cc(NC(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)nc(OCC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDOBDMVBRMCDS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(N)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJCUDWNNDQGSJ-UHFFFAOYSA-N", "SMILES:CNc1cc(NC(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXNQBFCGJXLDR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(N(C)C)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPIFZDXIODBDX-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(NC(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUAIBBERCZABS-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)c1cc(NC(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYOISQAQAJKEN-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(O)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBCQQFOBPKEVPA-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPESWHGIWUIELX-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(NC(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWPEMPWASAAMT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(Br)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDGXSEGCGGLQCH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C#N)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGEMQQVBCMNEFB-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBILCLPNWQINDE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(-c4nnn[nH]4)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYIWKKYCBZPPC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3ccc(N)c(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTYBYNTGUMSBE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3ccc(NC(C)=O)c(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGNSIKFPHNMBML-UHFFFAOYSA-N", "SMILES:CNc1ccc(NC(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGTWASKRGYRVIJ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3ccc(N(C)C)c(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFPWDIULHLHJE-UHFFFAOYSA-N", "SMILES:CCCCNc1ccc(NC(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHPAZDZYHFFLO-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3ccc(O)c(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKSXJLCKRAMHF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3ccc(OC)c(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJKGNXBYQYNHY-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3NC(C)=O)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNUZLYVMVYOSX-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3NC(=O)OC(C)(C)C)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPEOIYHRUJFIKL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3O)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMLMWNDJFBLNOJ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3OC)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPOIPOIDJLKPQ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVXEGAZAJVMDI-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDMCAYPARZARS-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKRKNQWMOOMMJ-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORZIIMZZISILB-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCVBRKPBDQDKG-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGQFDQLXPQURS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3OCC#N)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQJAPDWXFVTAJM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3OCCCCO)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIRSIGXLFLHAQR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3OCCN(C)C)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGCUNHIJNHJXDY-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3OCCCN(C)C)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWLUETXVZQPQJV-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3OCCN3CCOCC3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASMPXMQECOSMV-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3OCCCN3CCOCC3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUQSQQQOHDQMDL-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(F)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYQMMDVLDQGTD-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(Cl)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMZOVYHLLEGCD-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(Br)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRRVFRXXGUNNAM-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(C(F)(F)F)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZJABABZZLXKC-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC(F)(F)F)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGPZTGJUQTTCZ-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(C)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCQRBYBMJDEAM-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2F)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSKYSTYKNYPGO-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2Cl)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HITDREPMBJSMJQ-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2Br)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEIQMHQKNKSDSU-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSZLYYVZBYLMZ-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHPJXQYRIMRHY-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cccnc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFEGOGQVNYZSMN-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2ccccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMTXBSJEBABBB-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cccnc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDUVFYFMIQLUOB-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cccc(OC)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGKDQDWJBURDR-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cccc(OC)c2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLSAXQRPXHNOC-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2ccc(OC)cc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NICLOWVEPUBBIS-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2c(OC)cccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZDEXFSZLWZDC-UHFFFAOYSA-N", "SMILES:CCCC(C)Oc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTTUGLAFBGALO-UHFFFAOYSA-N", "SMILES:CCC(C)COc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIFKNPYAZAVFV-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3OCCC(C)C)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRQQSKXIGCYVBN-UHFFFAOYSA-N", "SMILES:CCCC(C)Oc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(Cl)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOXKTTLWMUQDFC-UHFFFAOYSA-N", "SMILES:CCCC(C)Oc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(C)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZDEXFSZLWZDC-KRWDZBQOSA-N", "SMILES:CCC[C@H](C)Oc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZDEXFSZLWZDC-QGZVFWFLSA-N", "SMILES:CCC[C@@H](C)Oc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRQQSKXIGCYVBN-INIZCTEOSA-N", "SMILES:CCC[C@H](C)Oc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(Cl)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRQQSKXIGCYVBN-MRXNPFEDSA-N", "SMILES:CCC[C@@H](C)Oc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(Cl)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOXKTTLWMUQDFC-SFHVURJKSA-N", "SMILES:CCC[C@H](C)Oc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(C)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOXKTTLWMUQDFC-GOSISDBHSA-N", "SMILES:CCC[C@@H](C)Oc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(C)ccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVVHYNAMDZBBNP-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3ccccc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLRAUTHJSAWTEM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3nc4ccccc4n3C)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWDIEYIGZGXXJY-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3N)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJYZIRBDLYWKO-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2ccc(OC)c(OC)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTNPHOPUDFLPG-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2cc(OC)cc(OC)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWEQXZQIWDSMRM-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(C)(C)C)cc1NC(=O)c1nnn(-c2ccc3c(c2)OCO3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRUTKCYTQLVGL-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(NC(=O)c2nnn(-c3cc(OC)ccc3OC)c2C)cc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOFJKXCQWDCIX-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(C(C)(C)C)ccc3OCCN3CCN(C)CC3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUVYLWKGZSXOJQ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(-c4ccccc4)cc(C(C)(C)C)c3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGPNVIVZOFDJO-UHFFFAOYSA-N", "SMILES:COc1cccc([SH](C)(=O)Nc2cc(Nc3ccc(N4CCOCC4)cc3)ncc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIAJZVVPQKQWQG-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc([SH](C)(=O)Nc2cc(Nc3ccc(N4CCOCC4)cc3)ncc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHSUNCSARELMU-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERBLMVOWIGDIO-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIAYHDTVJSCBLA-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)c2c[nH]c3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGLYCRUSSTHEI-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)c2cnc3cnc(Nc4ccc(N5CCOCC5)cc4)cn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUELAYDPSVEDCO-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKXBBKKZHJLNB-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N(C)CCN(C)C)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRBJDQXLPBXND-HDICACEKSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEMMDNHXUUCFOC-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCC(N(C)C)CC5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSRWZNLXRRLJV-SFTDATJTSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5C[C@@H]6C[C@H]5CN6C)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQISVWIIRBHLAS-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCC(N(C)C)C5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNPNDSRBNMIIV-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPVWUDXGLJDGKT-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(CN5CCN(C)CC5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZADABJSMRSVAZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)C5CCCCC5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTMKFVDSQTADE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5ccccc5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDRGABPVZYMQGU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5cccc(F)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELVYUFMNATKIK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5cccc(OC(F)(F)F)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBKRMWLWWIDOH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5cccnc5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZLZOHIFUHFSI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5ccn(C)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIFWTJYLGGGNSJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTZEALPJTYBAZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)n1ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCPPHAPBOHKPX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5ccccc5Cl)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLITTXFDDYVTE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5ccccc5OC(F)(F)F)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTLPZNSRSGCBT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5cc(F)cc(F)c5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPTSWDHGAYGTGU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5c(Cl)cccc5Cl)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSEDNGPCWIKLSZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCMWURGRMHZGSV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5cccc6c5OCO6)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVZVTUJCLVVME-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINADDGAJUVTDP-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHQSRIKOQLGPT-UHFFFAOYSA-L", "SMILES:COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3ccc(C)cc3)cc2)ccc1[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSJRWUGJMSTET-UHFFFAOYSA-L", "SMILES:COc1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3ccc(C)cc3)cc2)ccc1[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQVAOQIYIYYOJN-UHFFFAOYSA-M", "SMILES:Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3)cc2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNDSYJOBGICVGK-UHFFFAOYSA-M", "SMILES:Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)[N-]C(=O)CCCCC3CCSS3)cc2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MASBNQIOSNMFAQ-UHFFFAOYSA-M", "SMILES:Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)[N-]C(=O)C(C)c3ccc(CC(C)C)cc3)cc2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJMFTALBWYGNNS-UHFFFAOYSA-M", "SMILES:CCOC(=O)[N-]S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVALEAUYDHXJQZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)OC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUWDPEQJYFKDCE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)OCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDFAGRMEOOJZOO-UHFFFAOYSA-N", "SMILES:NCCCCCCN1CCC(OC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPCBWBHSQIVWBN-UHFFFAOYSA-N", "SMILES:NCCCCCCCCN1CCC(OC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNHIAFLMHVAZPM-UHFFFAOYSA-N", "SMILES:NCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKNCQZVZUCNDGS-UHFFFAOYSA-N", "SMILES:NCCCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXJYXPGYUJWCD-UHFFFAOYSA-N", "SMILES:C#CCCCCCN1CCC(OC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUDDWGSVPESJK-UHFFFAOYSA-N", "SMILES:C#CCCCCCCN1CCC(OC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJPOIHRHFSVJOM-UHFFFAOYSA-N", "SMILES:C#CCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQCRPVVAJACIHG-UHFFFAOYSA-N", "SMILES:C#CCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZIIELZICVUEPK-UHFFFAOYSA-O", "SMILES:CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(OC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBDLOQOXGQJTD-UHFFFAOYSA-O", "SMILES:CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(OC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUOGZOUFNQXMP-UHFFFAOYSA-O", "SMILES:CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGOIBENTSQHWDQ-UHFFFAOYSA-O", "SMILES:CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMNOFIWIZFZYES-UHFFFAOYSA-N", "SMILES:CC1(C)C(/C=C/C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccccc3C2(C)C)=[N+](CCCCCC(=O)NCCCCCCCCN2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)CC2)c2ccc(S(=O)(=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXCACHCXKHEOC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOZLVJQXQZLPL-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXHIFOLPKHLYBX-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPPGGAXXAKWHHQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POIIDLJXIAHDFT-UHFFFAOYSA-O", "SMILES:CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHCHYXFMUEZQI-YHBQERECSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(CN4CCOCC4)cc3)n3ncc(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFXVQGXBXAMTJS-WGSAOQKQSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(-c4cccs4)nc3)n3ncc(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFIDOIYHWPYBJS-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(CCN3CCC(Nc4nc5ccccc5n4Cc4ccc(C#N)cc4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEBIXUBMFQLEHV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2c(NC3CCN(CCc4ccc(-c5nc(C(F)(F)F)no5)cc4)CC3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHGDZUFKZCIHAQ-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(CCN3CCC(Nc4nc5ccccc5n4C)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQBXXOZSCQWBP-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(CCN3CCC(Nc4nc5ccccc5n4CC4CCCCC4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBKMUYIMXCCFRS-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(CCN3CCC(Nc4nc5ccccc5n4Cc4ccc(C(F)(F)F)nc4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUQSXIQIHGWZKY-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1noc(-c2ccc(CCN3CCC(Nc4nc5ccccc5[nH]4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXPPXDBYHPTHE-UHFFFAOYSA-N", "SMILES:Cn1c(NC2CCN(CCc3ccc(-c4nc(C(F)(F)F)no4)cc3)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUIARCMHNTYKN-AREMUKBSSA-N", "SMILES:Cc1noc(-c2ccc(CCN3CC[C@@H](Nc4nc5ccccc5n4Cc4ccc(C#N)cc4)C3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFXCZXUDWLUBR-UHFFFAOYSA-N", "SMILES:Cn1c(NC2CCN(CCc3ccc(-c4nc(C(C)(C)C)no4)cc3)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRIJMFTBPBRJR-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)nc(NC1CCN(CCc3ccc(-c4nc(C)no4)cc3)CC1)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFBAXNUXUOIAF-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(CCN3CCC(Nc4nc5cc(F)ccc5n4C)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWLHVNWDUFZCJ-JGTDPZFESA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXVBLYYHIPGDH-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3c(NC(=O)CCCNC(=O)c4cc(Oc5ccc(NC(=O)Nc6ccc(Cl)c(C(F)(F)F)c6)cc5)ccn4)cccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJEWOUKSOYWETG-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVCDGPRMFCTJF-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2ncnc3ccc4c(c23)OCCN4)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWIVCSDSUXLBBD-UHFFFAOYSA-N", "SMILES:Brc1cccc(Nc2ncnc3ccc4c(c23)OCCN4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNRLWPPWHZQLNT-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2ncnc3ccc4c(c23)OCCN4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWEZSVZZNYVITA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(F)c(Cl)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGXXTJCUDZPMY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCOc2c1ccc1ncnc(Nc3cccc(Br)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDJNMORJJJSML-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCOc2c1ccc1ncnc(Nc3cccc(C(F)(F)F)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDQUFLLOIZQETM-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(F)c(Cl)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZNRDOBVSWVFGP-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCOc2c1ccc1ncnc(Nc3cccc(Br)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKBSPVIINKBCQ-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCOc2c1ccc1ncnc(Nc3cccc(C(F)(F)F)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBXPKCAHFAKIP-UHFFFAOYSA-N", "SMILES:CN1CCN(CCC(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(F)c(Cl)c4)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYPZCDVPMAZHEB-UHFFFAOYSA-N", "SMILES:CN1CCN(CCC(=O)N2CCOc3c2ccc2ncnc(Nc4cccc(Br)c4)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCNAOQVJZDCAW-UHFFFAOYSA-N", "SMILES:CN1CCN(CCC(=O)N2CCOc3c2ccc2ncnc(Nc4cccc(C(F)(F)F)c4)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCPWXLOXCKUNRM-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cccc(Cl)c3)c2c2c1OC(COC)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYZZDYYJQBZWAP-UHFFFAOYSA-N", "SMILES:O=C1CN(Cc2cn(-c3ccccc3F)nn2)C2(CCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUOPLKUAWRLLD-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(-c3ccccc3F)ccc2C2(CCCCC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVQQXDQCONOIG-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1N=C(c1ccccc1OCCNCCCNCCOc1ccccc1C1=Nn3c(C)nnc3SC1)CS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUDSHWAWWDYCMO-UHFFFAOYSA-N", "SMILES:CC(c1nc2cccc(C(N)=O)c2[nH]1)N1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMXVPIDJYQHLS-SBNLOKMTSA-N", "SMILES:O=C1NCC(c2ccccn2)[C@@H](O)c2cc(Cl)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL46909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBCWSHYEQUBLW-AATRIKPKSA-N", "SMILES:COc1cc(/C=C/c2ccc(OC)cc2OC)cc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZJKNASHFBEGF-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]c3c(c2c1)CCn1c-3nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLAUAIDGXDXOCA-CXUHLZMHSA-N", "SMILES:CCC/C(C=C(C)C)=C\\COc1c2occc2c(C)c2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDSSFMAZDFOAS-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nc(-c3nccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWDYBNISFBTJB-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2nc(-c3nccs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVXPEAMNJQRHIR-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nc(-c2nccs2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTLSXMJWYWLAGE-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3nccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IALVPYOIIOBVIK-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(-c3nccs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLQLQMMOAIZPC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nc(-c3nccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBAAFDCSABMOB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2nc(-c3nccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEIDYQJRSBTAJD-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc(-c3nccs3)cs2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRUWAHTUNKYXHY-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3nccs3)cs2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVMNCUXVXPGPP-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Nc2nc(-c3nccs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRXKVPJGIBQWML-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2nc(-c3nccs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJFSBSBKSZNBE-UHFFFAOYSA-N", "SMILES:Nc1cccc(Nc2nc(-c3nccs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYWHREZASASARM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2nc(-c3nccs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICIKRKKQHLPMTG-UHFFFAOYSA-N", "SMILES:c1csc(-c2csc(Nc3ccc(N4CCNCC4)cc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWXSDNPGIFGIES-UHFFFAOYSA-N", "SMILES:c1cn(-c2ccc(Nc3nc(-c4nccs4)cs3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCMDCMRHZDEBSC-UHFFFAOYSA-N", "SMILES:c1cn(Cc2ccc(Nc3nc(-c4nccs4)cs3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFUVGVGSRIZKSL-UHFFFAOYSA-N", "SMILES:c1cc(Nc2nc(-c3nccs3)cs2)cc(-n2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLVXQMTZCICUFK-UHFFFAOYSA-N", "SMILES:c1csc(-c2csc(Nc3ccc4c(c3)OCO4)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIJCFEMINGCLBJ-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Nc1nc(-c2nccs2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRUQTPLCBLNIGX-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc(-c3nccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWZQCUWPCQGJF-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(-c3nccs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XURWIUNABSHHKX-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Nc1nc(-c2nccs2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLORPQQXDJLFW-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc(-c3nccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQCJVLJMTBCUCO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(Nc2nc(-c3nccs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHZKGLOGXKQZEV-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc(-c3nccs3)cs2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYVRLOPDVRTWQG-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc(-c3nccs3)cs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWDMSJVRZISODY-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nccs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOPUVQYPHBWKK-UHFFFAOYSA-N", "SMILES:Clc1cc(Nc2nc(-c3nccs3)cs2)cc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3334678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMPMQWARUTYZMI-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2nc(-c3nccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYQKLENSVGKTJO-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2nc(-c3nccs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHPDMNQQMHEDL-UHFFFAOYSA-N", "SMILES:c1csc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHJPRBQXHZTDH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(-c4nccs4)cs3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRJKKDFNPVRPE-UHFFFAOYSA-N", "SMILES:c1csc(-c2csc(Nc3ccc(-n4cncn4)cc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWOIASDYIGUZCD-UHFFFAOYSA-N", "SMILES:c1csc(-c2csc(Nc3ccc(Cn4cncn4)cc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKPEVHPZQMYOJ-UHFFFAOYSA-N", "SMILES:c1ccc2cc(Nc3nc(-c4nccs4)cs3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMZXTPCKJUHXNE-UHFFFAOYSA-N", "SMILES:c1cnc2ccc(Nc3nc(-c4nccs4)cs3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOERZVPVEHYAIE-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(-c3nc(-c4ccccc4)cs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVRMIYKTBGNKK-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(-c3nc(-c4ccccn4)cs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVOLLBMZSTWAHY-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(-c3nc(-c4cccnc4)cs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOFIVIGMUKFXHE-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(-c3nc(-c4ccncc4)cs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVONYSISHGMBX-UHFFFAOYSA-N", "SMILES:Cc1sc(-c2csc(Nc3cccc(F)c3)n2)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USAWQYSNSMGYSO-UHFFFAOYSA-N", "SMILES:CCc1sc(-c2csc(Nc3cccc(F)c3)n2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWTASRQWAGDHFT-UHFFFAOYSA-N", "SMILES:CC(C)c1sc(-c2csc(Nc3cccc(F)c3)n2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHBMUKTSUYVQH-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(-c3nc(-c4ccccc4)c(-c4ccccc4)s3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGDXDOGQSAONV-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4ccccc4)cs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDRSHGJSDNOHL-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4ccccc4)c(C)s3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWLRMXVIARWFU-UHFFFAOYSA-N", "SMILES:CCc1sc(-c2csc(Nc3cc(OC)cc(OC)c3)n2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXXDSHUFTXYPZ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4ccccc4)c(-c4ccccc4)s3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIUXHFXCOLCIK-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Nc2nc(-c3nc(-c4ccccc4)cs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJQXHNQNXDBHP-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Nc2nc(-c3nc(-c4ccccn4)cs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRGPKRYHYGFUSC-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Nc2nc(-c3nc(-c4cccnc4)cs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOVBJGPFDOHKX-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Nc2nc(-c3nc(-c4ccncc4)cs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFRWXBFHDZIDRK-UHFFFAOYSA-N", "SMILES:Cc1sc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFWXBGVTEYITGX-UHFFFAOYSA-N", "SMILES:CCc1sc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAGJHDVBNHBATA-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Nc2nc(-c3nc(-c4ccccc4)c(-c4ccccc4)s3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHGWOSXNHSKCL-UHFFFAOYSA-N", "SMILES:c1ccc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIAIIZZCTUYSCA-UHFFFAOYSA-N", "SMILES:c1ccc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQVMCKIZHVNEF-UHFFFAOYSA-N", "SMILES:c1cncc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJOQYNBTODNMS-UHFFFAOYSA-N", "SMILES:c1cc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASYLEIOLRXCJP-UHFFFAOYSA-N", "SMILES:Cc1sc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDJSUQIELHWDQ-UHFFFAOYSA-N", "SMILES:CCc1sc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)nc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIKKMZMLKRRSDK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(-c3csc(Nc4cc(OC)cc(OC)c4)n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFQLTFGHOLASO-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4cccc(OC)c4)cs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPDTTCIJXOSCQ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRROKDEYSMRLE-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4cccc(Cl)c4)cs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEAFALBSVDOECI-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4ccccc4Cl)cs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJHFAOZTWTTMN-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4ccc(F)cc4)cs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMFWOLOINVRKE-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4cccc(F)c4)cs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHVXCBIACIZRRP-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4ccccc4F)cs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWISZOIGQGSSY-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4cccc(C#N)c4)cs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCPATVZGAKZCRL-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3nc(-c4ccc(Cl)cc4F)cs3)cs2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDBOLZWHCCVSL-UHFFFAOYSA-N", "SMILES:C#CCOc1ccccc1-c1csc(-c2csc(Nc3cc(OC)cc(OC)c3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKDCJILTNTJNT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(-c3csc(Nc4cccc(F)c4)n3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACQHWRINVFGEAM-UHFFFAOYSA-N", "SMILES:C#CCOc1ccccc1-c1csc(-c2csc(Nc3cccc(F)c3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQSJSSATIQYNDV-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGZOSRRXGAAJA-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1csc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGCCAUPCRJXRT-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1csc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVJXOLNOGRHKM-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPUPGNBRAIDFV-UHFFFAOYSA-N", "SMILES:Fc1cc(Cl)ccc1-c1csc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULVZVSWNBPRDB-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(Nc2nc(-c3nc(-c4ccccc4Cl)cs3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XODLULCLYUBWDK-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1csc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYJWUHSMPRGRA-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(Cl)cc4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDFZRFJGULIYIX-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(F)cc4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHNISROOMWHNPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGVMYUFLBXALH-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4cccc(Cl)c4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHKYKUFUNGWLGF-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(C5CC5)cc4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJKBQBXLCNXBZ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(C(C)C)cc4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJRHISJEWADDU-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc5c(c4)COC5)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXEZWVVLIUZJPK-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc5ccccc5c4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYOIEIFAYIRTKI-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGMMDONRMIOYSB-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(Cl)c(Cl)c4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYGOUOFJYKXAGX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPVLCEQGDWVWAS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNMDSJCGMCRQT-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOMXIHYWWSFDFS-UHFFFAOYSA-N", "SMILES:CCc1ccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLVOXBLQACHBHD-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3nc(N)nc(NCc4ccc(F)cc4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJCEGXXROCWGV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3ccc4ccc(=O)oc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTTJWUVOMLJHDR-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(C)cc4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLGCDBJRWLBBP-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(C)cc4)n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBPGKPMGHFAPD-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3ccc4c(C(F)F)cc(=O)oc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQDZHFKLEDRILX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3ccc4c5c(c(=O)oc4c3)CCC5)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STSGHHNMBJSUTR-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cccc(N4CCCC4=O)c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZGRUXHFIFOMNY-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cccc(N4CCCCC4=O)c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMQOHSDRLLGRKG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cccc(N4CCCS4(=O)=O)c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJOOXMWMDSRFV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cccc(N4CCCC4=O)c3F)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYYQOGRDVLKKQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cccc(N4CCCC4=O)c3C)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFLJRWDLMAAJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3ccc(Cl)c(N4CCCC4=O)c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBGRAFJLREODI-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)cc1N1CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYTHMFHSOULRPV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNZHQPGRWNNTAZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cc(F)cc(N4CCCC4=O)c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGIMTNAGLPWSHB-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMQPCMKWFVMRP-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cc(C#N)cc(N4CCCC4=O)c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKZJOSFTXBKVCJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cc(Cl)cc(N4CCCC4=O)c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYGCPXSPLSSTSH-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJISFMBBRYDBF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cc(N4CCCC4=O)ccc3F)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBKBLQIEVEYEG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cc(N4CCCC4=O)ccc3C)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMVFQLITBYADD-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cc(N4CCCC4=O)ccc3C(F)(F)F)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDEBVCJTQUJQJZ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccccc3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBMYPULBVWISA-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccc(Cl)cc3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQHUFOFINGSJS-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2nc(N)nc(COc3cc(C)cc(N4CCCC4=O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSQUKMCHSGBVPP-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cccc(Cl)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYPYZLKVGSTSY-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCNc2nc(N)nc(COc3cc(C)cc(N4CCCC4=O)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCOSSVBWWHVEU-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNc2nc(N)nc(COc3cc(C)cc(N4CCCC4=O)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYDKGKUPLDTLA-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cccc(C(F)(F)F)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSTCCYVNPQPLLH-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cccc(OC(F)F)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWTAWOULBWHGOO-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cccc(F)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTCNVMYZMOAOLR-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cccc(S(F)(F)(F)(F)F)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNJFLYYUGWGGK-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cccc(C#N)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWIJRJAWIYYATJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccccc3C)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQIVYGRDCFSXIM-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccccc3Cl)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYGFZVFZYMHMN-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccccc3C(F)(F)F)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPICLUBAVYRUNZ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccccc3F)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBLCPVKBQUOAL-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNc1nc(N)nc(COc2cc(C)cc(N3CCCC3=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVTPBSWCIHRGMF-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccccc3OC(F)F)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFFENQHOLBDCV-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccccc3OC(F)(F)F)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUBDECQGVKZOD-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cc(F)ccc3F)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONCLRCHDGRGDV-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cc(C)ccc3F)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXHJLYLAZGVHMP-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cc(Cl)cc(Cl)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHRVHTJBURCRMU-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccc(Cl)c(Cl)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNCAGRDHZRRAT-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccc(Cl)c(C)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPYUFAQFJWRTE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccc(C)c(Cl)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLOGGINYGSTRAN-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cccc(Cl)c3Cl)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPFRLIWIGMCXHK-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3c(F)cccc3F)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIIZGUNRDJPXHF-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cc(Cl)ccc3Cl)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIPGWWHTULJLDQ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccc(Cl)cc3Cl)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIMUXBDHPQTDG-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccc(C)cc3C)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNZEBRWIKHRSP-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1CCNc1nc(N)nc(COc2cc(C)cc(N3CCCC3=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BROONYGANMIBKM-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3c(C)cccc3C)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPTGHGWLKPINJZ-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CCNc1nc(N)nc(COc2cc(C)cc(N3CCCC3=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYGMJQHVRJYATM-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCC(C)c3cccc(Cl)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDQLFQWNFSVHNG-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCC3(c4cccc(Cl)c4)CC3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJKCIKIKDSAAT-UHFFFAOYSA-N", "SMILES:COC(CNc1nc(N)nc(COc2cc(C)cc(N3CCCC3=O)c2)n1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURRBGCTGCQOAB-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NC3(Cc4cccc(Cl)c4)CC3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNGYSRJGQLICIN-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCC(c3c(F)cccc3F)N(C)C)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNBUSZIJCJBHE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCC(c3cccc(Cl)c3)N3CCCC3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPONUTLXVZZRLP-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3cccc(S(C)(=O)=O)c3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTISBYJHFANBST-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cc(N4CCCC4=O)cc(C(C)(C)C)c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUQLPQMZLUWIEZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc(COc3cc(OC(F)(F)F)cc(N4CCCC4=O)c3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZIDJCDSRQUFPM-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nc(N)nc(NCCc3ccccc3N3CCOCC3)n2)cc(N2CCCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQMADMRTHXHAM-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJKWKSGZMUZSR-UHFFFAOYSA-N", "SMILES:CC(C)(N=[N+]=[N-])c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQROQHBOGHHBRG-UHFFFAOYSA-N", "SMILES:COC(C)(C)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOOBUPCEYLVEO-UHFFFAOYSA-N", "SMILES:CCC(O)(CC)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZEABKGYDYKBNZ-UHFFFAOYSA-N", "SMILES:CC(O)(CO)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPKCQSZSQJWQX-UHFFFAOYSA-N", "SMILES:CCC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPOPEPZJJCGQC-UHFFFAOYSA-N", "SMILES:CC(O)(c1cc(C(=O)N2Cc3ccccc3C2)ccc1O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQULHBJWRQBUMK-UHFFFAOYSA-N", "SMILES:CCCC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYLZAFLPPNBDX-UHFFFAOYSA-N", "SMILES:CCCCC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZCDBAHOCXZPLA-UHFFFAOYSA-N", "SMILES:CCCCCC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRIQDHGRTIIRNI-UHFFFAOYSA-N", "SMILES:CC(C)C(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQMTWIVQXLFRBL-UHFFFAOYSA-N", "SMILES:CC(C)CC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCHVPSSPIYYPW-UHFFFAOYSA-N", "SMILES:CC(C)CCC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQPUUWJALWMQMJ-UHFFFAOYSA-N", "SMILES:COCCCC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEUZTXHEHDNGN-UHFFFAOYSA-N", "SMILES:C=CCCC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKBPGLFAVXBHI-UHFFFAOYSA-N", "SMILES:C=CCC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJHSWKJEEJYEDP-UHFFFAOYSA-N", "SMILES:COCC#CC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESWFQGLYZLSQW-UHFFFAOYSA-N", "SMILES:CC(O)(CCCO)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQFGMYHNSMPVPV-UHFFFAOYSA-N", "SMILES:CC(O)(c1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCLLLLZYRLARM-UHFFFAOYSA-N", "SMILES:CC(O)(Cc1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTUYGCTUXGJPC-UHFFFAOYSA-N", "SMILES:CC(O)(CCc1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMAOUHXCKLNUDD-UHFFFAOYSA-N", "SMILES:CC(O)(CCCc1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUNJTOBNDGNRSB-UHFFFAOYSA-N", "SMILES:CC(O)(CCCCc1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRJBRLBNXARYEQ-UHFFFAOYSA-N", "SMILES:CC(O)(CCCc1ccccc1)c1cc(C(=O)N2Cc3ccc(F)cc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIGZLLYBIOCGK-UHFFFAOYSA-N", "SMILES:CC(O)(CCCc1ccccc1Cl)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQSKPZIFNESGJ-UHFFFAOYSA-N", "SMILES:CC(O)(CCCc1cccc(Cl)c1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMLUAMDKSQSBB-UHFFFAOYSA-N", "SMILES:CC(O)(CCCc1ccc(Cl)cc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSLAFZCEXGDWJA-UHFFFAOYSA-N", "SMILES:CC(O)(CCCc1ccc(F)cc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETNLBIZBMHQGS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCCC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGCJFIFISSKBF-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCCC(C)(O)c2cc(C(=O)N3Cc4ccccc4C3)ccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNLAUBGEWOHTF-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCCC(C)(O)c2cc(C(=O)N3Cc4ccccc4C3)ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGHLOZOUICCKI-UHFFFAOYSA-N", "SMILES:CC(O)(CCCc1ccccn1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZMNSJWTULQRF-UHFFFAOYSA-N", "SMILES:CC(O)(CCCc1cccnc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCWMSEDHIHBFLN-UHFFFAOYSA-N", "SMILES:CC(O)(CCCc1ccncc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZPYYALKRAEJPL-UHFFFAOYSA-N", "SMILES:CC(O)(C#CCc1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHSIPJGKEHUWFL-UHFFFAOYSA-N", "SMILES:CC(O)(CC#Cc1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOXVDRHVYHLKJ-YFHOEESVSA-N", "SMILES:CC(O)(C/C=C\\c1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOXVDRHVYHLKJ-JXMROGBWSA-N", "SMILES:CC(O)(C/C=C/c1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVFOCRVPACSJDC-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXEQZLWHIYQNKM-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccccc4C3)ccc2O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEEDDIOEIIKGTC-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2ccccc2F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GITBCXPACLQMKT-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cccc(F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDUHONVYJBSSLT-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2ccc(F)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1558904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUTRTCPSUKCXOK-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cccc(C(F)(F)F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBWIBBDORKJPW-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2ccc(C(F)(F)F)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCJKLVJAMVMCI-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NC2=NS(=O)(=O)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDJWOIGTYCXZAE-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOOSADMFTYSIG-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cccc(F)c2F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSSOTCTTRBFKG-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2ccc(F)cc2F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJOFXGVJGSNSJU-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2ccc(F)c(F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4870626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AANBEMADDCYBOF-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cc(F)cc(F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCYFUYZHUPYZBQ-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cc(F)ccc2F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMMIXPLLGJDQG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cc(NC2=NS(=O)(=O)c3ccccc32)cc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVJKYODLBZNUED-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NC2=NS(=O)(=O)c3ccccc32)cc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOHITRVTFYHYBM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC2=NS(=O)(=O)c3ccccc32)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKNODSLYWSGQLJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(C#N)cc(NC2=NS(=O)(=O)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVXAYULHCQWTE-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NC2=NS(=O)(=O)c3ccccc32)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4848635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMIKKRCBOUZLM-UHFFFAOYSA-N", "SMILES:CN(C1=NS(=O)(=O)c2ccccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMCDVLZEQAJWSK-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWGWTIHYZXITAE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Nc2csc3ccccc23)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNKOYVABVINMC-UHFFFAOYSA-N", "SMILES:[O-][s+]1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYKYSWNLMNSXRA-UHFFFAOYSA-N", "SMILES:O=S1(=O)C=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZYMMXDQRWJTG-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMPOIAHBQKZQS-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cc(F)cc(F)c2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSIZHBNYADEBJ-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJFQOSMZTDCHRE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=NS2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMVBCOHXWMBDW-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2c(N3CCN(c4ccccc4F)CC3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPKFJJWPPJTHY-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(c2c(C#N)nnc3c(OC)cc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFFXXOZUVCCEW-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2c(N3CCN(c4ccccc4OC(C)C)CC3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCDYSHYBXAGGB-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2c(N3CCN(c4ccccc4OC4CC4)CC3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXVYORSFYSHIOF-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2c(N3CCN4c5c(F)cccc5OCC4C3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXVYORSFYSHIOF-CYBMUJFWSA-N", "SMILES:COc1cc(F)cc2c(N3CCN4c5c(F)cccc5OC[C@H]4C3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXVYORSFYSHIOF-ZDUSSCGKSA-N", "SMILES:COc1cc(F)cc2c(N3CCN4c5c(F)cccc5OC[C@@H]4C3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAGHJJMXITYTPR-AWEZNQCLSA-N", "SMILES:COc1cc(F)cc2c(N3CCN4c5ccccc5OC[C@@H]4C3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAGHJJMXITYTPR-CQSZACIVSA-N", "SMILES:COc1cc(F)cc2c(N3CCN4c5ccccc5OC[C@H]4C3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAZBMNUCCLVWMR-CQSZACIVSA-N", "SMILES:COc1cc(C(F)(F)F)cc2c(N3CCN4c5ccccc5OC[C@H]4C3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWPYYHQKYNKGS-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2c(N3CCN4c5ccccc5NCC4C3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGUPIMAJDYTHPK-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2c(N3CCN4c5ccccc5NC(=O)C4C3)c(C#N)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQNXKWDQRNHAU-UHFFFAOYSA-N", "SMILES:Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1585091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCNKQXDDMIBITO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZRLPXFGQKQHST-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cn2)c(Cl)c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBZCKAQIIPSDS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNAHBUYMPZIZPL-OAHLLOKOSA-N", "SMILES:O=C(CNc1cccc(Cl)c1)N1CCC[C@@H](Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUVKCTDSDJOYJH-OAHLLOKOSA-N", "SMILES:O=C(CNc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKJARMJWOWCALV-CQSZACIVSA-N", "SMILES:O=C(CNc1cc(F)cc(C(F)(F)F)c1)N1CCC[C@@H](Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOMPLZNJLWYLM-CQSZACIVSA-N", "SMILES:O=C(CNc1cc(Cl)cc(C(F)(F)F)c1)N1CCC[C@@H](Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNJUCROAHDWJX-AWEZNQCLSA-N", "SMILES:O=C(CNc1cc(F)cc(Cl)c1)N1CCC[C@H](Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNJUCROAHDWJX-CQSZACIVSA-N", "SMILES:O=C(CNc1cc(F)cc(Cl)c1)N1CCC[C@@H](Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWEGYEWIWVWQNQ-AWEZNQCLSA-N", "SMILES:O=C(CNc1cc(Cl)cc(Cl)c1)N1CCC[C@H](Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWEGYEWIWVWQNQ-CQSZACIVSA-N", "SMILES:O=C(CNc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMZPARQSFKDFC-UHFFFAOYSA-N", "SMILES:O=C(CNc1cc(Cl)cc(Cl)c1)N1CCOCC(Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGJGBVORMCTBAA-UHUGOGIASA-N", "SMILES:CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC(Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVEDHZRFVQCMIY-WHCXFUJUSA-N", "SMILES:CCC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC(Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXRPXXJUUHIIR-UHFFFAOYSA-N", "SMILES:O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCCC(Nc2ncnc3[nH]ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDJPNUFHZPIBHX-UHFFFAOYSA-N", "SMILES:O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCCC(Nc2ncnc3[nH]ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHZNTNUDLQIRL-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ncc12)C1CCCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVYBLOWEVEGIK-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)C1CCCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMCHCHNJCUKHKZ-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ncc12)C1COCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFUOTRLUUOUJH-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)C1COCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXWBGONJVWQVFN-MRXNPFEDSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)[C@@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXWBGONJVWQVFN-INIZCTEOSA-N", "SMILES:CN(c1ncnc2[nH]ccc12)[C@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HISKYBYGRUVPQU-UHFFFAOYSA-N", "SMILES:CC1CCC(Nc2ncnc3[nH]ccc23)CN1C(=O)CNc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIGRRDNBWBKDPY-UHFFFAOYSA-N", "SMILES:CC1CC(Nc2ncnc3[nH]ccc23)CN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCUVTKMJJCMTSP-UHFFFAOYSA-N", "SMILES:CC1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1Nc1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORBTILEDZCTEX-UHFFFAOYSA-N", "SMILES:CC1C(Nc2ncnc3[nH]ccc23)CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORBTILEDZCTEX-YVEFUNNKSA-N", "SMILES:C[C@H]1[C@H](Nc2ncnc3[nH]ccc23)CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORBTILEDZCTEX-SJKOYZFVSA-N", "SMILES:C[C@@H]1[C@H](Nc2ncnc3[nH]ccc23)CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATXSOHBFBBSGI-UHFFFAOYSA-N", "SMILES:CC1C(N(C)c2ncnc3[nH]ccc23)CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNUNKOYFBJEEN-UGSOOPFHSA-N", "SMILES:O=C(CNc1cc(F)cc(Cl)c1)N1CC[C@H]2CCN(c3ncnc4[nH]ccc34)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWZUDUZYCJXEA-UGSOOPFHSA-N", "SMILES:O=C(CNc1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@H]2CCN(c3ncnc4[nH]ccc34)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKAMIGVAPQVOU-UGSOOPFHSA-N", "SMILES:O=C(CNc1cc(Cl)cc(Cl)c1)N1CC[C@H]2CCN(c3ncnc4[nH]ccc34)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYZLPTXMFAJEQ-CVDCTZTESA-N", "SMILES:O=C(CNc1ccccc1S(=O)(=O)c1ccccc1)N1CC[C@H]2CCN(c3ncnc4[nH]ccc34)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMOLCISGFGUQQW-UGKGYDQZSA-N", "SMILES:O=C(CNc1ccccc1S(=O)(=O)N1CCCCC1)N1CC[C@H]2CCN(c3ncnc4[nH]ccc34)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGJAFYUJIBFJCH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVUBPJAVMRCFJT-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc(Br)c(C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMJCTRILCXRIOZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cc(Cl)c(Cl)c(C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLIJOFVQLRGRAU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIZWFKJJDPNAKL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cc(C(=O)Nc2ccccc2)c(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPACSVRRIRUWJK-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTRYMNBUCBYEB-UHFFFAOYSA-N", "SMILES:COCCOCc1cc(F)ccc1CNC(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2C)c(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGUAEWTHPWKAH-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCMVEKLQOUIJTQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNC(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHEGXLHHVQRNFA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLYZMEHXTVMJQT-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTIZVARKWEIQN-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(F)c1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYJLLRCXLMMGDE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)Nc2ccccn2)c(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITITYHGGDRTQCQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1cc(C(=O)NCc2ccccc2)c(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNHFYXITMTYBZ-UHFFFAOYSA-N", "SMILES:Cc1cccnc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJNVKSFYGKANY-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc3cc(NC(=O)c4cc(C(=O)NCc5ccc(F)c(F)c5)c(F)cc4Cl)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFZZQYNCOPFNS-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(NC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)c(F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFAGOVIQVGGRKR-UHFFFAOYSA-N", "SMILES:Cc1cc(OC(F)F)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUNUCPCKHPNBNK-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCO)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRDCEWJVJNXQDF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nnco2)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUONEGZVMEGFZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C2COC2)cnc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBAXCPGBQNNUHB-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCOCC2)cnc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLSKMYKWQOOKP-UHFFFAOYSA-N", "SMILES:c1ccc2c(OCCN3CCN(c4ccncc4)CC3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGWTYMRRVDFIEO-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOC(=O)c2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUNAHOZEVLINA-UHFFFAOYSA-N", "SMILES:O=C(OCCCN1CCN(c2ccncc2)CC1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUWRSBWUJESED-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHNYWFGGRZJSZ-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMAVHQYYCPAJTL-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTADKACYIMHII-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNOWHDNGRNBDQJ-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(CCCOc3ccc4ccccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XANINQRTAHTGQS-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOC(=O)c2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSAPWKYJYONRT-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCN(c2ccncc2)CC1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRKPBYOZVLBCF-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJTRFDKRAHDWGU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEJMYUYSFPAOOH-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIMIZAJPEKRFPH-UHFFFAOYSA-N", "SMILES:O=C(OCCN1CCN(c2ccccc2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPBBBSPVWWNRW-UHFFFAOYSA-N", "SMILES:O=C(OCCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHUWBXGYFTMSY-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOC(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZHMQBMDARGNNJ-UHFFFAOYSA-N", "SMILES:O=C(OCCCN1CCN(c2ccccc2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYQWBLIDFQLLR-UHFFFAOYSA-N", "SMILES:O=C(OCCCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNUYNZGWZFYLI-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOC(=O)c2cc3ccccc3o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTBYVJGJXERSN-UHFFFAOYSA-N", "SMILES:O=C(OCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYYAAZMVZHGLB-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(CCOc3ccc4ccccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPPXJDJXUTXFI-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(CCCOc3cccc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHTPDMXMOLLTEA-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMUWMNPNZFOHE-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2ccccc2n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDQDSHUTDDSSI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2cncn2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUJCGEDCOWHSGR-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cncn2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAKZEXRPVIUIO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(=O)c3cncn3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUJMSBSNYVBODY-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2ccccc2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJUKAMRQIJDQU-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2ccccc2n1Cc1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJXDYPITZRPEJE-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2ccccc2n1Cc1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBQKFMHGZGVAG-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2cc(Cn3c(=O)c4cncn4c4ccccc43)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJCJHAVSNUNQE-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(=O)c3cncn3c3ccccc32)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJMMUWKPCJOBK-UHFFFAOYSA-N", "SMILES:Cn1cc(Cn2c(=O)c3cncn3c3ccccc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWLGAAXWYXTXLT-UHFFFAOYSA-N", "SMILES:Cc1ccncc1Cn1c(=O)c2cncn2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWMQQWIOZELOK-UHFFFAOYSA-N", "SMILES:Cc1cncc(Cn2c(=O)c3cncn3c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYNVULSMXTLMT-UHFFFAOYSA-N", "SMILES:Cc1ncccc1Cn1c(=O)c2cncn2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWMIARBOGLCEEA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(=O)c3cncn3c3ccccc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPOBFCRVBWVOQZ-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2c(=O)c3cncn3c3ccccc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVYRQIQXAYUADB-UHFFFAOYSA-N", "SMILES:Cc1ncn2c1c(=O)n(Cc1ccccn1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFTYQQDJPXOLJ-UHFFFAOYSA-N", "SMILES:Cc1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDOFMVAWPILPW-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(=O)c3c(C)ncn3c3ccccc32)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARUQCFQLCWPGZ-UHFFFAOYSA-N", "SMILES:CCc1ncn2c1c(=O)n(Cc1ccccn1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYGMPPNCYIPDT-UHFFFAOYSA-N", "SMILES:O=c1c2c(CC3CC3)ncn2c2ccccc2n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLRNHZUVNVZMO-UHFFFAOYSA-N", "SMILES:O=c1c2c(Cl)ncn2c2ccccc2n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNAWJYDCPSULM-UHFFFAOYSA-N", "SMILES:Cc1cc(Cc2ncn3c2c(=O)n(Cc2ccccn2)c2ccccc23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKIZTLCAFUHPD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQHTYCAQMXZTP-UHFFFAOYSA-N", "SMILES:O=c1c2c(CO)ncn2c2ccccc2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTBGZDLNSIQWAD-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2cccnc2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRFUYNWSKXSYOM-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2c(Cl)cccc2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSXSMQSDLMVYCV-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1n1cncc1c(=O)n2Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVKJQGRWMEINA-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2cc(Cl)ccc2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRFLGVWSRQJHG-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2ccc(Br)cc2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHQZNAELPBUKM-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2ccc(Cl)cc2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFKVDZOBBXOFEW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCUSGLGVAUZHK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNURUKDSCWMMSN-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2c(Cl)cc(Cl)cc2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSKAAMFSMUYMJ-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2c(c1)n(Cc1cccnc1)c(=O)c1cncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFQLIBAKORRJE-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2c(c1)n(Cc1cnccc1C)c(=O)c1cncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWQAQMSDCDNDFY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1cccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFAFWENSAYYQPT-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2ccccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRZPDLPIQGQMMA-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2ccccc2n1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILVCGOOXNATQM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2c(=O)c3cncn3c3ccccc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYEMLUBEUUZDNV-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1Cn1c(=O)c2c(C)ncn2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXWRFGZBDDWUAA-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2cc(OC(F)(F)F)ccc2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBYISLIBMLDTR-UHFFFAOYSA-N", "SMILES:O=c1c2cncn2c2cc(F)c(F)cc2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZUDVSNYNWXHM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2n2cncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL68684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTGZSWOWFGVAFH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681419", "category": ["biolink:ChemicalEntity"], "name": "BASMISANIL", "xref": ["InChIKey:VCGRFBXVSFAGGA-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1"], "synonym": ["Basmisanil", "Basmisanil", "Rg1662", "RG-1662", "RG1662", "RO-5186582", "RO5186582", "RO5186582-000", "Basmisanil"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGSUHDORAURFM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC(C)(C)N(Cc2ccccc2)c2ccccc21"]}
{"name": "AMP deaminase 2", "xref": ["CHEMBL.TARGET:CHEMBL2997"], "id": "UniProtKB:Q01433", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYXSWJEOXUWRT-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESNAPVNJJJWHH-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2cccc(F)c2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POPKLEHHMWALKP-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccc(F)cc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVUIEZKDLXAFW-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2cc(F)ccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSKOUKRULMBARB-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2c(F)cccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFJNNHFVVGWIU-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2cccc(Cl)c2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCUDZBLXFBFLB-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1N(Cc1ccccc1)C(C)(C)CN2C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRUNTBOXUWSPPV-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2cc(F)cc(F)c2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZCUYIORGOWTKF-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQXGPXZBKMDDS-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGUQQKQMIWQTDY-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccccc2N1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDHYFOMQJQJSP-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVYFVRBQFGKSJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2c3ccccc3N(C(N)=O)CC2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDISPKNVNKVLM-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2c3ccccc3N(C(N)=O)CC2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFMGNWSMUOSIJ-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccccc2N1Cc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLSJIQQAZDAOU-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAXPEDVFWPMARM-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMOCSIFHEOAOIB-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAAPZPYCMPIUPQ-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(COc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKMKKZBAQDCMGV-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccccc2N1Cc1cccc(CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRFBCCEFYLGTA-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccc(COc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOIRZMTHVXDKJ-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccc(COc2ccc(CO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOZATBVTRHEDGP-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccc(COc2ccc(C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPJVECQTCWPJW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OCc2ccc(CN3c4c(ccc(F)c4F)N(C(N)=O)CC3(C)C)cc2)cc1"]}
{"name": "AMP deaminase 2", "xref": ["CHEMBL.TARGET:CHEMBL5291580"], "id": "UniProtKB:Q9DBT5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBWEQVKJDMEMK-AWEZNQCLSA-N", "SMILES:CCCN(CCC)[C@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQYZBSPQNGOKJY-MEKGRNQZSA-N", "SMILES:CCCN(CCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRBYETUNOFXFL-KYJUHHDHSA-N", "SMILES:CCCN(CCN1CCN(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)CC1)[C@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEACLLHVUMUKOS-ACHIHNKUSA-N", "SMILES:CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWUMXOWOUGLMJ-NSOVKSMOSA-N", "SMILES:CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3nc(N)sc3C2)cc1)[C@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMPBPUPTSSMTN-ARDORAJISA-N", "SMILES:Br.Br.CCCN(CCc1cc(O)c(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1O)[C@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQPRUMGPAOCRW-VXKWHMMOSA-N", "SMILES:CCCN(CCc1cc(O)c(CCN(CCC)[C@H]2CCc3nc(N)sc3C2)cc1O)[C@H]1CCc2nc(N)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWACCHRUKMDWQL-ZWXJPIIXSA-N", "SMILES:CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@@H]1CCc2cc(O)c(O)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLXDTLNUQEAOC-NSOVKSMOSA-N", "SMILES:CCCN(CC(=O)N1CCN(C(=O)CN(CCC)[C@H]2CCc3c(O)cccc3C2)CC1)[C@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAUOEZQOXBUMAX-QRRGNZNSSA-N", "SMILES:CCCN(CCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@@H]1CCc2c(O)cccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJPWOHLZTWEMQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCN(C)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLDVNGIFMTEMF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCN(C)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHBHEABPPWROKD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCN(C)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIIHAUYKICHNQI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCCN(C)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKQQRVQGOUIMX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCCCN(C)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAMABQFUDMLHGO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCCCCN(C)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMEQQKSEEYBQTB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCCCCCCN(C)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIDBZORHLSMJNX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCN(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZNWUWXGFNBZLY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCN(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMPUNYZBCHYZRZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCN(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATEUZIGVIWVOIX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCN(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKXAMYHLNVXQGM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCN(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMUARSILENPDKK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCCN(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZRJUXUROORQOH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCCCN(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDNNQHHKUMUKF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCCCCN(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUXMKUDVTHMKFM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCCCCCCN(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTOHDJJUFYUAF-UHFFFAOYSA-N", "SMILES:COc1cccc(CN(C)CCCCCCCCCCCCn2cc(C=O)c3cc(OC)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQHHKRPWIYTFO-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)CCCCCCCCCCCCn2cc(C=O)c3cc(OC)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNMUKEWBYJPDPC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCCCCCCN(C)Cc1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OESTWNDKVZPZBM-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCCCCCCCn1cc(C=O)c2cc(OC)ccc21)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRUYRPWHHFPLI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCCCCCCCCCCCN(C)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMMMQWAIKAMQM-UHFFFAOYSA-N", "SMILES:CN(CCCCCCCCCCCCn1cc(C=O)c2cc(O)ccc21)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIKIDGBOLXMJP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCN(C)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVBOQTYOMMSGC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C=O)cn2CCCCN(C)Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFARYPUBWWAROC-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(Cc2ccccc2)nc(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYYMUJLVLBTCG-UHFFFAOYSA-N", "SMILES:CCCCC(CC)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUJRRHGSAKZTAN-UHFFFAOYSA-N", "SMILES:CCC(CC)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBNZWCHBLVPFR-UHFFFAOYSA-N", "SMILES:CCCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQQXEAXOSRMVMF-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGIBTBHZTYGIIV-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)C)nc(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKIUDAJIJSGKF-UHFFFAOYSA-N", "SMILES:CCCOP(=O)(OCCC)C(Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1)P(=O)(OCCC)OCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQZPSZIQWYIWSO-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1)P(=O)(OCC)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOAQMTFMESEABI-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)nc(C(C)(C)C)n1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCPLAYKZSUDSOZ-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)cc(C(C)(C)C)n1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDKIYUOZIPQIZ-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)nc2ccccc12)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOAUYYANDYPVOX-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C2CCCCC2)nc(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSNAPQSIVZETPK-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)nc(C23CC4CC(CC(C4)C2)C3)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUKHIPFGNWIPOL-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)nc(C(C)(C)COCc2ccccc2)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCIGGQHRGYIFPE-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)nc(C(C)(C)CO)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOUQSALPRQBFR-UHFFFAOYSA-N", "SMILES:COCOCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOAPZNBPKSOIL-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)nc(C(C)(C)CF)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEDPNZNWMNFLM-UHFFFAOYSA-N", "SMILES:CCC(CF)(CF)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWPSJDWJBPIUFL-UHFFFAOYSA-N", "SMILES:CCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYWUAUIHESKEDJ-UHFFFAOYSA-N", "SMILES:CCC(CF)(CF)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(CC)(CF)CF)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTHNXHBDLYPKY-UHFFFAOYSA-N", "SMILES:CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)CF)nc(C(C)(C)CF)c1)P(=O)(OC(C)C)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKFAERNYSHXPX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHXWGJPYKHDCU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDZTQISZPKLGK-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)C(c2cc(C(C)(C)C)ccc2O)(c2cc(C(C)(C)C)ccc2O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZYLIQIRMKGNZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3O)C(=O)N(CCN3CCOCC3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVDGUSGDILXMG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCN2CCOCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLKPRNKOOKXORF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCN2CCOCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)N(CCN3CCOCC3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWXSYGEXNZEBZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCC3)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQFRWURQQFSMFP-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccc(C(C)(C)C)cc2C2(c3cc(C(C)(C)C)ccc3OCCN3CCN(C)CC3)C(=O)Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNQIUJNHJRYPEL-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2O)C(=O)N(CCN(C)C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMQJZZDKWJAYBA-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)C(c2cc(C(C)(C)C)ccc2O)(c2cc(C(C)(C)C)ccc2OCCN2CCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALDIPSFFNEMNE-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccc(C(C)(C)C)cc2C2(c3cc(C(C)(C)C)ccc3OCCN3CCN(C)CC3)C(=O)N(CCN3CCN(C)CC3)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLRNVLAKFNISN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCO)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKDSKLZTCSPDNA-UHFFFAOYSA-N", "SMILES:COCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2O)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFRHSJOZNLOMAS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCBr)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFKTDLVURKPLL-UHFFFAOYSA-N", "SMILES:CC(=O)OCCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2O)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGLGDLXPXNUGI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3O)C(=O)N(CCBr)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMRTWQGUURTHF-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2OCCN(C)C)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCNSXNJAOOZMIS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCN2CCNCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCNCC3)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNNKAVQDRKNBPP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCC3)C(=O)N(CCN3CCCC3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQUZOXYKPNUEKU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCCC3)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJLBVXIVGDZDBP-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2O)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXOLSEVHZDYZRT-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccc(C(C)(C)C)cc2C2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNQVQOPTPWIXMN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2O)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGCVWFSHAORRGO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCNCC3)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLIEXGVKCDSIM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCO)c(C2(c3cc(C(C)(C)C)ccc3OCCO)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLNHLUEYGNDCR-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2OCCOC)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOWRFVXCYCUKCQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCN2CCCCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCCC3)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLSHSVWFYMQHK-UHFFFAOYSA-N", "SMILES:CC(=O)OCCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2OCCOC(C)=O)C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KREYSEKBHSHVQB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCBr)C(=O)N(CCBr)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOPPFGAXHTXCMP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)N(CCN3CCOCC3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPAGQPNECHWUGC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCN2CCCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCC3)C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XODJMEDVBLYJQD-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2OCCN(C)C)C(=O)N(CCN(C)C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZJQIEKDGMOOHN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCN2CCCC2)c(C2(c3cc(C(C)(C)C)ccc3OCCN3CCCC3)C(=O)N(CCN3CCCC3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEGQOGCLBJLEM-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)C(c2cc(C(C)(C)C)ccc2OCCN2CCCC2)(c2cc(C(C)(C)C)ccc2OCCN2CCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUOYWICEPPLZSJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc(C(C)(C)C)cc1C1(c2cc(C(C)(C)C)ccc2OCCN(CC)CC)C(=O)N(CCN(CC)CC)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1269459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYULQBSQDOYPJQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCc2ccc(O)c(O)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRHWIWTLPDOPG-UHFFFAOYSA-N", "SMILES:CC(c1ccc(O)c(O)c1)C(C)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL169217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVWTKSPCSYFBN-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccc(O)c(O)c1)C(C)(C)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOUPNYXJJZXVQC-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)-c1cc(O)c(O)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLAXEZXIRQOBS-UHFFFAOYSA-N", "SMILES:Oc1cc2ccc3cc(O)c(O)cc3c2cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5291262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGMHXWUASVHTLZ-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)-c1c(ccc(O)c1O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGIUOYODYKJTJH-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(O)c(O)cc2-c2c(ccc(O)c2O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYSRSGKFYFNOFO-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2cc(O)c(O)cc2c2cc(O)c(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAIDKUGAYKKTCT-AOOOYVTPSA-N", "SMILES:C[C@@H]1Cc2cc(O)c(O)cc2-c2cc(O)c(O)cc2C[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTHHGDJXDXEMT-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(O)c(O)cc2-c2cc(O)c(O)cc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHQUBMHYDAUWSE-UHFFFAOYSA-N", "SMILES:CC1c2cc(O)c(O)cc2-c2c(ccc(O)c2O)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHHIKJEGXHKLQ-FOLQEALPSA-N", "SMILES:[3H]C([3H])([3H])OCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGKRTYDTRUMGO-WNQFUHBBSA-N", "SMILES:CCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@H]3C[C@@H]3c3ccccn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCHFDQWRQFBTJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)Nc5ccncc5)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMUYGQQMQZGGU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)Nc5ccncn5)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBWDEAUKYCRKZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)Nc5ncccn5)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZSBYXRCFGDLU-UHFFFAOYSA-N", "SMILES:Cn1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(CN5CCN(S(C)(=O)=O)CC5)s4)nc(N4CCOCC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXFIQWFKZBLWIN-UHFFFAOYSA-N", "SMILES:Cn1nccc1NC(=O)Nc1ccc(-c2nc(-c3ccc(CN4CCN(S(C)(=O)=O)CC4)s3)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGFWFEHZQQWXSB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)Nc5ccn[nH]5)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGOMPRSRJFHKLX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)Nc5ncc[nH]5)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMSOWFXWRRMJJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)Nn5cnnc5)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYPCXLZQOCROY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)Nc5nc[nH]n5)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRBTXCCGGMHJF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)Nc5ccc6[nH]ncc6c5)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSAGIXUBDWCPAH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)Nc5ccccn5)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWOZYUKTWISQFF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)Nc5cnccn5)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYQYIWQEMSPDMJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4ccc(NC(=O)NC5CN6CCC5CC6)cc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJKQUJCJHTURC-UHFFFAOYSA-N", "SMILES:CCc1nc2cc(-c3cc(NS(C)(=O)=O)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHOMAWDACELMB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2ccc3[nH]c(=O)c(C)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCWAFDGYHNYXCI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2ccc3[nH]c(=O)c(C)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTGSPVFSLHXAX-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(C(C)O)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBIVJRRCETYKLB-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(C(C)(C)O)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDRFRGVYIKDUBT-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(CS(C)(=O)=O)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJCQBWZRYQGDEC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Cc1ccc(Oc2ccc(F)cc2F)c(-c2ccc3[nH]c(=O)c(C)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKWLBLIFRXXPEO-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(C(=O)N4CCN(C)CC4)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSXZLUOPFVFLH-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(C(=O)NCCO)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLLXPMXPHIKPT-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(C(=O)N4CCOCC4)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCIXTEAOOSVTMN-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(NS(C)(=O)=O)ccc3Oc3ccc(Cl)cc3)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVYTEICNSTDSK-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(NS(C)(=O)=O)ccc3Oc3ccc(F)cc3)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALRNBRMAJDJVLA-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(NS(C)(=O)=O)ccc3Oc3ccc(F)cc3Cl)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSSLNNXZIRHOTR-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(NS(C)(=O)=O)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPDDGYPHGNDSAP-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2cc(-c3cc(NS(C)(=O)=O)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIXUQWYRALHAH-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(S(C)(=O)=O)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVAEXMRHAYJHT-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(C=O)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIAQWLOVLXONP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Oc2ccc(F)cc2F)c(-c2ccc3[nH]c(=O)c(C)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZKBFHJRXBUNOS-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1ccc(NS(C)(=O)=O)cc1-c1ccc2[nH]c(=O)c(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTFLHWXGUCNHSY-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc(NS(C)(=O)=O)ccc3Oc3ccccc3C(F)(F)F)ccc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLPXBFIJSHCKMP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ccc(NS(C)(=O)=O)cc1-c1ccc2[nH]c(=O)c(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYKMWCXIHYVPD-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1Oc1ccc(NS(C)(=O)=O)cc1-c1ccc2[nH]c(=O)c(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKOKCLRZABZCFB-FQEVSTJZSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3cc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGAEDLOXCYIKQ-IBGZPJMESA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n(-c3ccc(C(=O)O)cc3C(C)C)c3cc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOYLVBDJZUMFEH-FIOFNDLRSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n(-c3ccc(C(=O)NCCCC(=O)Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3C(C)C)c3cc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDCXVPVVSHXJN-DUPUWYEFSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n(-c3ccc(C(=O)NCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)cc3C(C)C)c3cc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMIFKCFXHVUOIV-XSODEWKESA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n(-c3ccc(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)cc3C(C)C)c3cc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHIXEYOTVMCQPZ-GINOAXGTSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(=O)n(-c3ccc(C(=O)NCc4cn(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)nn4)cc3C(C)C)c3cc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5174597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGQZLKPUVGCBQ-HLMPTVQRSA-N", "SMILES:C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3CCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIBGYXZHFXJNMM-NRFANRHFSA-N", "SMILES:COc1ccc(-n2cc(C#N)c3ncn(-c4ccc(N5CCC[C@H]5C(N)=O)cc4)c(=O)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRISOVQJUMCPTE-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(C(N)=O)c3ncn(-c4ccc(N5CCOCC5=O)cc4)c(=O)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGRHWSYWTJSLKU-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDOOTQOGYAFQLQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXWUNBTMKXCMW-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFKAACZXGOARN-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTCRYTJPCBTFKP-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEEPMNRUTBVDGQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N2CCCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZFZOTVZZGJFEB-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMWACXSMRWAKJQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N2CCC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UURILWWMYYNAGX-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZNARYRBHXBBG-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3F)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGMZKDWWUMKLB-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGBCMJYFYKSJB-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPMGKIOGRLJSX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTCZEBQJPWEFDH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCDCNLWPXUMDRB-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQVWCHYKQAISGM-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZSBJRVAIZDFO-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIKJYACQYFWVPZ-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3cnccn3)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCYZCBGEREDDB-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3ccncc3)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKOKEIILOJADQD-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cc(C)nc(N3CCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLIVRIAJKIOLI-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)C3CCCCC3)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NREIJSTYJUQRGH-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)Cc3ccccc3)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRVYVWJAHLPWGS-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCCN(C(=O)c3ccccc3C)CC2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBMCNHFZMRPIU-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CC3CN(C(=O)c4ccccc4C)CC3C2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMCLCGGZHYKFMS-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CC3(CN(C(=O)c4ccccc4C)C3)C2)nc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBVZMWMBWEWRW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSAHPCHKRYDGK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCN(c2cc(CO)nc(N3CCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZSKHKHOQNLIT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)ncc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJUFRKFBPNZAC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)nc(C)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDFXDADENKVMM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYVRECAWEAQFCJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)nc3c2CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBNHJKZNLFFJY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)N2CCN(c3nc(N4CCCC4)nc4c3CCC4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFKCBOPZNBSFC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)N2CCN(c3nc(N4CCCC4)nc4c3CCCC4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRHBNRQKRQZDTN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)nc3c2COC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUZZFQIQBDHXAV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)N2CCN(c3nc(N4CCCC4)nc4c3COC4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATXOJURIUGOXQM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)nc3c2COCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGFQFCKPIBVGJY-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)CC2)nc(C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZYUKNGOZKHBT-UHFFFAOYSA-N", "SMILES:Cc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDUHTFCGEYDKBT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C(F)(F)F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFFVEKPUCXBOI-UHFFFAOYSA-N", "SMILES:C=C(C)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUIWEDDWEZQAGX-UHFFFAOYSA-N", "SMILES:CC(C)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSPUDYHVAJALL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C1CCC1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKWZKQJQFGLRFB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C1CCCC1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUOXAIQVGAEYQN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C1CCCCC1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAENBVFKZYAQJP-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRQHXUDMDHJKJZ-UHFFFAOYSA-N", "SMILES:CC(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMRFSCEYJSKBH-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHEVKZDATWMHOR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C(=O)C(F)(F)F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHWUUHIAMMLPH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C(O)C(F)(F)F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDHAJSZFGKELI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCOCC1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMPGWYFQWWEQDM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCCCC1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYSKXCHMRRJMC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITOKNBPWGKEKPE-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITOKNBPWGKEKPE-ZDUSSCGKSA-N", "SMILES:C[C@H]1COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJAGWSNSAWJXLX-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccncc2NC(=O)c2ccnc(NC(=O)C3CC3)c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJAGWSNSAWJXLX-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(c2ccncc2NC(=O)c2ccnc(NC(=O)C3CC3)c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMJVQIVWNDSCP-OKILXGFUSA-N", "SMILES:C[C@@H]1CN(c2ccncc2NC(=O)c2ccnc(NC(=O)C3CC3)c2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNLBZLPZWXFED-UHFFFAOYSA-N", "SMILES:CC1(C)CN(c2ccncc2NC(=O)c2ccnc(NC(=O)C3CC3)c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVGRKCRBVWRQG-UHFFFAOYSA-N", "SMILES:CC1(C)COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHIOZVADSRNHCG-UHFFFAOYSA-N", "SMILES:Cc1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZPNTQBUCGKFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(C2CCC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXMDNOCHJZJAFM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccccc2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTOZIYWOZGTNG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(Oc2ccccc2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGWZZQUKQRJLH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(N2CCCCC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIRFKUTYJYRJRL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(N2CCOCC2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOASYPPGWUXMEB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc(F)cc2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGYJAQAXSBBMF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccccc2F)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKUQFANVMIQQGN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cc(F)ccc2F)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJQIGWYDMZIOD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cccc(F)c2F)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAEBGEQKDJPVBH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccncc2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMTZYQHZJFNBJB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cncc(Cl)c2)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVQRETZRLOUFQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWXGVFDBNXCKQV-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2-c2ccccc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQYMKLREADGJR-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2-c2ccc(Cl)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHUNWVQYYPMPPG-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(C(=O)Nc2cncc(-c3ccccc3F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMYMANOXIJSDR-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(C(=O)Nc2cncc(-c3cc(F)ccc3F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOEPKGAWYBURFM-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCCN2CCOCC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJPQYUIIAITBKJ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCCC(C)(C)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYEIHROTXDFNIC-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCC(C)(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSGOYFKVYMHAD-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCC(F)(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AASZBVWGEDIXLX-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCC(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUALEUCRCXMKIF-UHFFFAOYSA-N", "SMILES:CC(F)C(=O)Nc1cc(C(=O)Nc2cnccc2-c2ccccc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFISTQHENHPDEE-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cc(C(=O)Nc2cncc(-c3cccc(F)c3F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCQDVAUTFJHBKP-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cc(C(=O)Nc2cnccc2N2CCC(F)(F)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVUFESKYOOBJLS-UHFFFAOYSA-N", "SMILES:CCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKBMKQHUGHPUML-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC(=O)C2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMDVMDXNKYJRV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(C(=O)Nc2cc(C(=O)Nc3cnccc3-c3ccccc3)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWHJRYPMAPELPT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC(=O)C2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOIHPBSHQSHIIT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccccc2)c1)c1ccnc(NC(=O)C2CC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGFITMILZNZCU-SHTZXODSSA-N", "SMILES:O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnc(NC(=O)[C@H]2C[C@H](Cl)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGFITMILZNZCU-GASCZTMLSA-N", "SMILES:O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnc(NC(=O)[C@H]2C[C@@H](Cl)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBQXWADRRVTID-JCNLHEQBSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)[C@H]2C[C@H](F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBQXWADRRVTID-WOVMCDHWSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)[C@H]2C[C@@H](F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVGGMGOSCMWAHF-UHFFFAOYSA-N", "SMILES:CCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYTBUOHYMLZOLR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC(=O)C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFOSROJETSAJRO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccccc2)c1)c1ccnc(NC(=O)C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMOBEFCWUAKOSI-SJLPKXTDSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC(=O)[C@@H]2CC[C@@H](O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRLJYOIIWONBJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)C2CCC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBPEXIOZILUTR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccccc2F)c1)c1ccnc(NC(=O)C2CCC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZBHABYAFZEPR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2cccc(F)c2F)c1)c1ccnc(NC(=O)C2CCC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEXOPRYGJGEFF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccccc2Cl)c1)c1ccnc(NC(=O)C2CCC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJFKRWDBQKNRJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC(=O)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDZSVFHIFHEGW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccccc2)c1)c1ccnc(NC(=O)C2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHSBDWKFQRDCY-JCNLHEQBSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)[C@H]2C[C@H](Cl)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHSBDWKFQRDCY-WOVMCDHWSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)[C@H]2C[C@@H](Cl)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOHAMXUZGJBJNY-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(Cc2ccc(C(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVWCGASFGGTIA-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(CN4CCN(C(C)(C)C)CC4)cc3)cc(C(F)(F)F)c2)cn1"]}
{"name": "Crk-like protein", "xref": ["CHEMBL.TARGET:CHEMBL5291558"], "id": "UniProtKB:P46109", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZQGEDKMRNFOC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORKGWDBCOPMGV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCN(C(=O)c3c[nH]c4ccc(Cl)cc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYLSJNIQXFWSL-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(C(=O)N3CCN(Cc4ccc(C(=O)NO)cc4)CC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJILHIFYAJQCAV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCN(C(=O)c3c[nH]c4cc(OCc5ccccc5)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVNLCCNCSKBEJS-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)N2CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUPRJQTLOIWRJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCN(C(=O)c3c[nH]c4cc(F)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FODHGJPARAFZTG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCN(C(=O)c3c[nH]c4cccc(Cc5ccccc5)c34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSIBQJNFQGYJOV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPMMIISBZJPHR-MYYYXRDXSA-N", "SMILES:O=C1Nc2ccc(NC(=O)C(NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c3ccccc3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKAJXOAEOIUMG-JCMHNJIXSA-N", "SMILES:Cc1cc(S(=O)(=O)Nc2ccc(/C=C3\\SC(=O)N(CC4(C)CCCCC4)C3=O)cc2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWICYDRLXJFOI-UHFFFAOYSA-N", "SMILES:CN(CCOC(=O)c1ccc(C(=O)Nc2ncnc3c2c(-c2ccc(Cl)cc2)nn3C(C)(C)C)nc1)Cc1ccc(C(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNQITXWMILEHO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(=O)c3ccccc3o2)c1NC(=O)OCCOC(=O)NCCN(C)CCN/N=N/c1ccc2c(Nc3cccc(Cl)c3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLZZLZAVQDAWFH-UHFFFAOYSA-N", "SMILES:CN(c1nc(-c2cnc(N)nc2)nc(N2CCOCC2)n1)C1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUOLCUOQNSRILY-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(-n2cnc3cc(-c4ccsc4)ccc32)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDVUJIQAHBHEY-UKSSEWCLSA-N", "SMILES:C=C1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPPHBXUXQLPVNX-MFDYCWBWSA-N", "SMILES:C[C@@H]1C[C@@]2(C=O)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSCJFTUABVZUTK-MFDYCWBWSA-N", "SMILES:C[C@@H]1C[C@@]2(CO)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZSJNSVXJGUNRQ-IZCSWSHDSA-N", "SMILES:C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZSJNSVXJGUNRQ-NAKDTABQSA-N", "SMILES:C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKUGOAXJWMNFFZ-KUVPCWQVSA-N", "SMILES:CC1(C)C[C@@]2(C=O)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSGBVPHXWHENJ-KUVPCWQVSA-N", "SMILES:CC1(C)C[C@@]2(CO)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFQGCFSQXXEGDT-XUHKJIGQSA-N", "SMILES:CC1(C)C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSBMOMWAZJICA-XDBTUQKASA-N", "SMILES:CCO[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3751945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFCSMRBOVFXPGJ-OPDDSMGGSA-N", "SMILES:CO[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUUUEQXMRRIGLT-ZEHJPDPISA-N", "SMILES:C[C@]12C[C@@H](O)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZYVYPVZCGSKTR-XNJBVXAQSA-N", "SMILES:CC[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQVJEFBYRXVPW-YOTXKYLOSA-N", "SMILES:C[C@]12C[C@@H](Br)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGJXKIDQVPEIT-YOTXKYLOSA-N", "SMILES:C[C@]12C[C@@H](Cl)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXPHISPHTZOEA-YOTXKYLOSA-N", "SMILES:C[C@]12C[C@@H](F)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVDWEHROXAUWQZ-AEFDYNLKSA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C(Cc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOCIZQSIWLMRI-AEFDYNLKSA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C(Cc1ccc(N)cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRDFWVUFXXXKI-AEFDYNLKSA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZQLPUCVJYDRKC-CVSNDOPFSA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C(CCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KASRJGUVAWHBSO-CVSNDOPFSA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C(CCc1ccc(N)cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVDGPIFJNHZML-CVSNDOPFSA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZZIVRRZAPNCV-CVSNDOPFSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C=C(CCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLUYKSFWFXYPLT-WVSGMKLRSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C[C@@H](Cc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVZWLEKWQMZIPS-AYEIPMSGSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C[C@@H](CCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKDNWIQCNZPMX-UELGWYSCSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C[C@@H](CCCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SACZGWYCTHJDED-YWRXSOOUSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C[C@@H](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BREBSGFQAQMNJM-MANLUGHYSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C[C@@H](CCCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSGWTXZXLYRNL-YWRXSOOUSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C[C@@H](CCc1ccc(N)cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISROAGKDUOIJZ-OSNZZGBFSA-N", "SMILES:C[C@]12CCC(=O)C(O)=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIUNBUZCKHWNHF-KZQROQTASA-N", "SMILES:C[C@]12CCC(=O)C(S)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRLOVPYZRGODHH-OSNZZGBFSA-N", "SMILES:C[C@]12CCC(=O)C(S)=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYIICZUVPPSEB-PFIYWFKMSA-N", "SMILES:CSC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEVDHIRSYSCSSY-PFIYWFKMSA-N", "SMILES:C[C@]12CCC(=O)C(SCCl)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJJTAZQYVCQBF-ICCDWZQGSA-N", "SMILES:C[C@]12CCC(=O)C(SCCl)=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJRKOHLHHUDPLF-PFIYWFKMSA-N", "SMILES:C[C@]12CCC(=O)C(SCF)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHMWYWMXGQCMS-KXVLAIBUSA-N", "SMILES:C[C@]12CCC(=O)C(SC(F)F)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEGNSDNTMXTJJB-FWSJURHISA-N", "SMILES:CSCSC1=C2CC[C@@H]3C(=CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLXVMVHPAUKOD-VMRCMBGLSA-N", "SMILES:COCSC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEAKLGYPVTOND-VMRCMBGLSA-N", "SMILES:COCOC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2113619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBRYTSKEIMOQC-VMRCMBGLSA-N", "SMILES:C[C@]12CCC(=O)C(SCC#N)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGJULUODXUVWJZ-ZYVPZICASA-N", "SMILES:CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNIAHCNFFHEHEQ-GBGDZKMASA-N", "SMILES:CCC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGWMMBJGBADMK-LFGUMHRUSA-N", "SMILES:CCCC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQRBAMCPZQTGZ-DTJKUYOMSA-N", "SMILES:CCCCC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIDPDOKRBRJTC-TTZDETBQSA-N", "SMILES:CCCCCC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STWCYMDPKKAXGU-JWQIIFQYSA-N", "SMILES:CCCCCCC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPIQRCKJNJZQHQ-DKAWINOHSA-N", "SMILES:CCCCCCCC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQOSDEBVGCVADF-FJZBUURQSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](Oc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGJULUODXUVWJZ-YBKKEEBTSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNIAHCNFFHEHEQ-IMPRXXHFSA-N", "SMILES:CCC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGWMMBJGBADMK-KPLAGFKJSA-N", "SMILES:CCCC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQRBAMCPZQTGZ-LGEIPVOBSA-N", "SMILES:CCCCC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIDPDOKRBRJTC-VSTXHWDQSA-N", "SMILES:CCCCCC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STWCYMDPKKAXGU-HKVUBSDVSA-N", "SMILES:CCCCCCC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPIQRCKJNJZQHQ-LUELVBCKSA-N", "SMILES:CCCCCCCC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQOSDEBVGCVADF-WIFUEDSZSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](Oc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOLMLOJBNSABS-XOJMLDNQSA-N", "SMILES:CO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRSMGUTFRTXQH-YBKKEEBTSA-N", "SMILES:CCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLANKRDDKYTZGD-AHMAJHLOSA-N", "SMILES:CCCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWFVQCGWTKCFKC-KVAKACLVSA-N", "SMILES:CCCCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENZYWUSZAFNEI-MLJDGYFNSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](OCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOLMLOJBNSABS-SWXUPSNXSA-N", "SMILES:CO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRSMGUTFRTXQH-ZYVPZICASA-N", "SMILES:CCO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLANKRDDKYTZGD-ZLWSLIOBSA-N", "SMILES:CCCO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWFVQCGWTKCFKC-ZXZAQHALSA-N", "SMILES:CCCCO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENZYWUSZAFNEI-JYAKILMVSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](OCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZRLRNPMYCZAU-ZYVPZICASA-N", "SMILES:CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEPLDCHUBHZJP-TTZDETBQSA-N", "SMILES:CCCCCC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOPJDMVSVNOUCP-FJZBUURQSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](Oc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZRLRNPMYCZAU-YBKKEEBTSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEPLDCHUBHZJP-VSTXHWDQSA-N", "SMILES:CCCCCC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOPJDMVSVNOUCP-WIFUEDSZSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@H](Oc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKRZIKUGNDODB-XOJMLDNQSA-N", "SMILES:CO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2179108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQLFFCLXGURTNR-YBKKEEBTSA-N", "SMILES:CCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSQWGHKDUTJQU-KVAKACLVSA-N", "SMILES:CCCCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCHKGDJZDQALH-MLJDGYFNSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@H](OCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKRZIKUGNDODB-SWXUPSNXSA-N", "SMILES:CO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQLFFCLXGURTNR-ZYVPZICASA-N", "SMILES:CCO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSQWGHKDUTJQU-ZXZAQHALSA-N", "SMILES:CCCCO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCHKGDJZDQALH-JYAKILMVSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](OCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVHKJDRBSUITJR-HQNIOCCESA-N", "SMILES:COC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYSPXPCRBLCXIN-CPSBXNMUSA-N", "SMILES:CCOC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQMXUCNTWGYSK-HQNIOCCESA-N", "SMILES:COC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNRQVJEAKISDP-CPSBXNMUSA-N", "SMILES:CCOC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJMNEPMSGCRSRC-IEVKOWOJSA-N", "SMILES:C[C@]12CCC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMLPFJDDIKKFFL-OWUXGNKUSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C=C(c1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZJKJQQPVWTQSG-AEFDYNLKSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C=C(Cc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIOIEDYFCMKMHB-IHKKISOYSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C[C@H](c1ccc(N)cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAABIDLRUMZWOB-KTSCCIOFSA-N", "SMILES:C[C@]12CC[C@@H]3C4CCC(=O)C=C4C(=O)C[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGUDNDBPVZPSQA-JOFNPIDHSA-N", "SMILES:C[C@]12CCC(=O)C[C@@H]1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1230438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJWOBJTTGJROA-WZNAKSSCSA-N", "SMILES:C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2057976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDYCULVYZDESB-HKQXQEGQSA-N", "SMILES:C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRIZOGLBRPZBLQ-PVGRJAHUSA-N", "SMILES:C[C@]12CC[C@@H]3C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNNBSPKVRWTLT-ZVWCKUMYSA-N", "SMILES:C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\\c3ccccc3)C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5275933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISQVBKWANUTMNE-UTMYRVCYSA-N", "SMILES:COc1ccc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5285644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBWXEMJWGYLJBF-KCKDAAEPSA-N", "SMILES:C[C@]12CC[C@H](OC(=O)C(F)(F)F)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\\c3ccccc3)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPKDODLEXZKQDM-NGRUQFFCSA-N", "SMILES:COc1ccc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(=O)C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYHXQFDPXVULS-OUKVFGAQSA-N", "SMILES:CC(=O)N1N=C2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(=O)C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPTIXUNDGZQYHQ-JBUSGDGESA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC(=O)C(F)(F)F)CC[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVHEUAQHBRGRR-NIIZFIPDSA-N", "SMILES:CCC(=O)N1N=C2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(=O)C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBCCDODDYQJZIL-RLZZJFGQSA-N", "SMILES:CCC(=O)N1N=C2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(=O)C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKNYPCZMWLGPA-CHLNPIALSA-N", "SMILES:C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C3=NN[C@H](c4ccccc4)[C@H]3C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCNWPFPDNNWPSN-WBIRMLTRSA-N", "SMILES:COc1ccc([C@H]2NN=C3[C@@H]2C[C@H]2[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPISPMSOWHVYBS-MNQDXDSJSA-N", "SMILES:C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C3=NN[C@H](c4ccccc4)[C@H]3C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFDNNSXXQOFFL-RDVZLZRSSA-N", "SMILES:COc1ccc([C@H]2NN=C3[C@@H]2C[C@H]2[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]32C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWWTXVPKBLNHQ-FPFZWMCLSA-N", "SMILES:CC(=O)N1N=C2[C@H](C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOVBYYSXAFKPD-XWCJZXPJSA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSWEGSXCNWCED-BIBNKPHBSA-N", "SMILES:CC(=O)N1N=C2[C@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVNGLKZEJHDJBM-YBYLUTCOSA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMEISPRDMAZFRF-CBWOQMMESA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C3=NN[C@H](c4ccccc4)[C@H]3C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSPWAXTVMFUCR-ZCNRRNOXSA-N", "SMILES:COc1ccc([C@H]2NN=C3[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]32C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXSUPQRZRRVHK-OAQOGCDRSA-N", "SMILES:CN1N=C2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(=O)C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLTGISHWECFDGX-CKXHNRAJSA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC(=O)C(F)(F)F)CC[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTMISMOKADGOH-CCQJSQPVSA-N", "SMILES:C[C@]12CC[C@H](OC(=O)C(F)(F)F)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C3=NN(c4ccccc4)[C@H](c4ccccc4)[C@H]3C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSCCJFUWSMHQCX-LMDSLAQESA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC(=O)C(F)(F)F)CC[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADCPBDVIIIHFW-ZHBVZQQMSA-N", "SMILES:CN1N=C2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCVGRGGJFUVVRF-YFDLBNSHSA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJEJJHBDQDMJJN-KGXQOFDRSA-N", "SMILES:C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C3=NN(c4ccccc4)[C@H](c4ccccc4)[C@H]3C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTZZRYLLTYEGC-JSTCQMMPSA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXGYYUVUMFLBQP-QJTRJXEFSA-N", "SMILES:CN1N=C2[C@H](C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRCISZKKVHEFV-JFDBTBFLSA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZCYVVOXDCUDV-NACBLTFBSA-N", "SMILES:C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C3=NN(c4ccccc4)[C@H](c4ccccc4)[C@H]3C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVAFKEYBCKSUCA-AXKKTUBASA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWFGPLJNLHUODO-ZCNRRNOXSA-N", "SMILES:CN1N=C2[C@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUBEIOJXOTFND-BIBNKPHBSA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZOLNDEPSVMIS-NUCRLNSBSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C3=NN(c4ccccc4)[C@H](c4ccccc4)[C@H]3C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPZWVWWSXHZXRU-VWNNZRIESA-N", "SMILES:COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLIQWALDYSARS-RZDAEKCOSA-N", "SMILES:C/C=C1\\CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C4=NN(C)[C@H](c5ccccc5)[C@H]4C[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGLWZLJGQKPBS-PPFPCKEQSA-N", "SMILES:C/C=C1\\CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C4=NN(C)[C@H](c5ccc(OC)cc5)[C@H]4C[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHIPXCJRKZXGK-QYJRBKFISA-N", "SMILES:C/C=C1\\CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C4=NN(c5ccccc5)[C@H](c5ccccc5)[C@H]4C[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNACEJMPNAXBAK-NFKXLIKISA-N", "SMILES:C/C=C1\\CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C4=NN(c5ccccc5)[C@H](c5ccc(OC)cc5)[C@H]4C[C@@H]32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFGMEHHPWEPNC-DTCRIMCDSA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(Br)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYOFFPTBOAESB-DTCRIMCDSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(Br)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDDFIFPOTRPTLE-VQZJJIPLSA-N", "SMILES:C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](n3ccnc3)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTZEZQHMRVBGI-RMLDPDKQSA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](n3ccnc3)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOXIARGQUYXDO-RMLDPDKQSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](n3ccnc3)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPNCXIHDYJAKC-JWLDDNKLSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](n2ccnc2)C[C@H]2[C@@H]3CC=C4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGNDXVELRDPTC-QLDGJZPUSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccno5)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNRLSMLEQLVWTH-CVJORQDNSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)c(NC(=O)c5ccncc5)c4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCAWXXMHTCNOQX-CVJORQDNSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)c(NC(=O)c5cccnc5)c4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWMVQVLEYGQSM-MFJZGFPYSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)c(NC(=O)c5ccccn5)c4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRBRWIJCHJAHH-MIVVTYSHSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(NC(=O)c5ccncc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAGPULDWTOWKLE-MIVVTYSHSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(NC(=O)c5cccnc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXMJQQPMTLHHNO-TYVMNDOJSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(NC(=O)c5ccccn5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVVYQMBJMYFSOY-IRBQCDLESA-N", "SMILES:CCC[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVBWRWFBEFSKEU-VPFNILEFSA-N", "SMILES:CCCC[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDQHMQFWRAZIT-YWGMFCIVSA-N", "SMILES:CCCCC[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXUIYTVMGQPXFT-ILWUYGLKSA-N", "SMILES:CCCCCC[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYNIQHFJMOUPW-UKSSEWCLSA-N", "SMILES:CC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXWSANCYCBGJO-RNEDXHKXSA-N", "SMILES:CCC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFJTDQUMLLUNW-SPAGYVKCSA-N", "SMILES:CCCC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMZFFWUDMSNGN-PTRTWWQBSA-N", "SMILES:CCCCC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEAHSWDOLGDRBP-AZTPLLCYSA-N", "SMILES:CCCCCC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSMPPWDLBEFRJ-KKYXJMJZSA-N", "SMILES:CCCCCCC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGJPYTIZPSAGHZ-GIDZJRPFSA-N", "SMILES:CCCCCCCC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQNJYTBGWLKUKB-QEFISFJRSA-N", "SMILES:COC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYUYSPSPNOAAH-XUHKJIGQSA-N", "SMILES:CCOC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLSJZZVQTXGVQG-BQBMVXNTSA-N", "SMILES:CCCCOC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRKKUPWSGGCPLW-JELDOXETSA-N", "SMILES:C[C@]12C=C(Br)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078534", "category": ["biolink:ChemicalEntity"], "name": "ANDROSTENEDONE", "xref": ["InChIKey:LUJVUUWNAPIQQI-QAGGRKNESA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5279752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRKYJWWITYLQQE-BAERFEIBSA-N", "SMILES:C[C@]12C[C@@H](Cc3ccccc3)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVYDBWSTHKAVOK-KXSKSBKOSA-N", "SMILES:C[C@]12C[C@@H](CCc3ccccc3)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOUYDGCJGQYAQJ-NEKODSHDSA-N", "SMILES:C[C@]12C[C@@H](CCCc3ccccc3)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEVGTJOAQVMJHT-TVNRDORLSA-N", "SMILES:C[C@]12C[C@@H](CCCCc3ccccc3)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANBPKVJPEXOLMJ-NEKODSHDSA-N", "SMILES:Cc1ccc(CC[C@@H]2C[C@@]3(C)C(=CC2=O)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTZCGOUTCDCQQJ-XXULWZRWSA-N", "SMILES:C[C@]12C[C@@H](CCc3ccc(C(F)(F)F)cc3)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKOGTOKTKCGOI-GIDZJRPFSA-N", "SMILES:C[C@]12C=C(Cc3ccccc3)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWBQBZGIHSOML-SAHMVTQPSA-N", "SMILES:C[C@]12C=C(CCc3ccccc3)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQFRPABALVIVKY-NKILSJRUSA-N", "SMILES:C[C@]12C=C(CCCc3ccccc3)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPICWPJXMGYDPN-ROFHDDJXSA-N", "SMILES:C[C@]12C=C(CCCCc3ccccc3)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNDAMOLCKLLMRE-NKILSJRUSA-N", "SMILES:Cc1ccc(CCC2=C[C@@]3(C)C(=CC2=O)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CASLIYZIOZNLID-SAHMVTQPSA-N", "SMILES:C[C@]12C=C(CCc3ccc(C(F)(F)F)cc3)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIEGBWJBDLNCHK-PTZDDJATSA-N", "SMILES:CCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLICLEJAYRJPGX-IXBCVXAVSA-N", "SMILES:CCCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVZXNLZKUQGFQ-IKCDGGAZSA-N", "SMILES:CCCCCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIEGBWJBDLNCHK-QEDSVCCZSA-N", "SMILES:CCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLICLEJAYRJPGX-NRDYJASWSA-N", "SMILES:CCCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3751897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVZXNLZKUQGFQ-YNDVRPKCSA-N", "SMILES:CCCCCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLIQEAVVVBVAF-OWUXGNKUSA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C(c1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNQBQAKVQVBHH-JKNDIDBPSA-N", "SMILES:C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVPQQKZRNPVKM-QAXSQSOOSA-N", "SMILES:CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STCMXLSWPAFYPU-GCSHOIHQSA-N", "SMILES:CCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNLGMGANHYOFS-XIBJKWCDSA-N", "SMILES:CCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAOFEXUHCVHAH-QEDSVCCZSA-N", "SMILES:CCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSVBZORGBDMKX-NRDYJASWSA-N", "SMILES:CCCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRKBTRNJFNIXMH-YSOVCADESA-N", "SMILES:CCCCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNQBQAKVQVBHH-LVWDTYCVSA-N", "SMILES:C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVPQQKZRNPVKM-NRPQEYHISA-N", "SMILES:CC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STCMXLSWPAFYPU-LIMDRZENSA-N", "SMILES:CCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNLGMGANHYOFS-CIHYYMKPSA-N", "SMILES:CCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAOFEXUHCVHAH-PTZDDJATSA-N", "SMILES:CCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSVBZORGBDMKX-IXBCVXAVSA-N", "SMILES:CCCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRKBTRNJFNIXMH-ZOIKUAMBSA-N", "SMILES:CCCCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSCFURMBHMSCE-LVWDTYCVSA-N", "SMILES:C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLHZVTXXAVKHH-NRPQEYHISA-N", "SMILES:CC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPQZGTVZFASECT-LIMDRZENSA-N", "SMILES:CCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOQAIUOBLCZNG-CIHYYMKPSA-N", "SMILES:CCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJQBDUSGVRKSO-ZCEDUXDWSA-N", "SMILES:CC(C)[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVJHBULIPHDPOH-RIWJMWRJSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](c1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOFPYVGJAASCMJ-ZOIKUAMBSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](Cc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARRQBDZYCGGZAB-NRPQEYHISA-N", "SMILES:C=C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFYIUMDFFPNCQ-NRPQEYHISA-N", "SMILES:C#C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLHZVTXXAVKHH-QAXSQSOOSA-N", "SMILES:CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPQZGTVZFASECT-GCSHOIHQSA-N", "SMILES:CCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOQAIUOBLCZNG-XIBJKWCDSA-N", "SMILES:CCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJQBDUSGVRKSO-RZAWSJAESA-N", "SMILES:CC(C)[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVJHBULIPHDPOH-QDRUZAQNSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](c1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOFPYVGJAASCMJ-YSOVCADESA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](Cc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPLCXMVUVAWRQC-GPFHPJNKSA-N", "SMILES:C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWSFUFGMDJFFG-QAGGRKNESA-N", "SMILES:C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2311178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVSUQWCZQBWCP-QAGGRKNESA-N", "SMILES:C[C@]12C=CC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3752994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMDCPLRVPBTRF-DAELLWKTSA-N", "SMILES:CC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNNXUYBLCMXKEP-TYFMXVJSSA-N", "SMILES:CCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCYOMCXDTLVWGM-BDCMKUQMSA-N", "SMILES:CCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQCZIACCVMWDJB-WVSGMKLRSA-N", "SMILES:C[C@]12CCC(=O)C=C1C[C@@H](Cc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSMLUZTOHJLKX-AYEIPMSGSA-N", "SMILES:C[C@]12CCC(=O)C=C1C[C@@H](CCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTKDYTYEJUJDJ-UELGWYSCSA-N", "SMILES:C[C@]12CCC(=O)C=C1C[C@@H](CCCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRFCVLJAUDOHL-YWRXSOOUSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C[C@@H](CCc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSWOANAELZCXHE-MANLUGHYSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C[C@@H](CCCc1ccc(N)cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKYFVTWGZQCCO-ILBLIPTMSA-N", "SMILES:CCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVUSXQYHSOFLCF-YGPPEJNESA-N", "SMILES:CCCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAIPYQCHIOENDT-UFYKXHCUSA-N", "SMILES:CCCCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UABLIZUFWULGLU-SHGLSTRNSA-N", "SMILES:CCCCCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDVBAYPHNXVJDE-DAELLWKTSA-N", "SMILES:CC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCUYVISLILVGZ-TYFMXVJSSA-N", "SMILES:CCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKOTWAQBXMBDFM-BDCMKUQMSA-N", "SMILES:CCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMOAWNFFOYFHT-ILBLIPTMSA-N", "SMILES:CCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTVQABLZMTIEW-YGPPEJNESA-N", "SMILES:CCCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXGQGOKWSSZLJO-UFYKXHCUSA-N", "SMILES:CCCCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLXLOGIIYCOBB-SHGLSTRNSA-N", "SMILES:CCCCCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBQGAJBAPVDMI-YNDVRPKCSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](CCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUOMRAOMLPVQD-IRAFHZQZSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](CCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONFRICWKJQFQT-PQQTXWEMSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](CCCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSSARXWDGCYBP-RLZZUSTFSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](CCCCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBQGAJBAPVDMI-IKCDGGAZSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](CCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUOMRAOMLPVQD-VIJAQQJFSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](CCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONFRICWKJQFQT-IDZUJHNRSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](CCCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSSARXWDGCYBP-INIXEJBKSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](CCCCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZVQCEURQIMGAG-UFYKXHCUSA-N", "SMILES:C[C@]12CCC(=O)C=C1C(c1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHPIVYWDYDQHI-SHGLSTRNSA-N", "SMILES:C[C@]12CCC(=O)C=C1C(Cc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGKKKIDTXSJFB-FNVGUGSDSA-N", "SMILES:C[C@]12CCC(=O)C=C1C(CCc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWBNXXXIBHLAX-WMBLEVIOSA-N", "SMILES:C[C@]12CCC(=O)C=C1C(CCCc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBJHFNGPRQHRX-UCIFHVGVSA-N", "SMILES:C[C@]12CCC(=O)C=C1C(CCCCc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDRFGPIVQRLCN-JCVMJVTQSA-N", "SMILES:C[C@]12CCC(=O)C=C1C(CCCCCc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEDHPTACEOKKBX-UFYKXHCUSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C(c1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKZXZUXJYJAYPG-SHGLSTRNSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C(Cc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPHOHOAOEOPDDH-FNVGUGSDSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C(CCc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKONNPKPHVNCTM-WMBLEVIOSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C(CCCc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHTOCUGVBOIMSZ-UCIFHVGVSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C(CCCCc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAEPQRZIUGNGGW-JCVMJVTQSA-N", "SMILES:C[C@]12C=CC(=O)C=C1C(CCCCCc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAFQLZMQEDRPBL-QDRUZAQNSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](c1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYZKGMSMITJFV-YSOVCADESA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](Cc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFBVLJSTCEBFF-YNDVRPKCSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](CCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRCMRSLUMHHOCX-IRAFHZQZSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](CCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPIHKQBEDCWNHL-PQQTXWEMSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](CCCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLXQVGUAXCIDY-RLZZUSTFSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](CCCCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAFQLZMQEDRPBL-RIWJMWRJSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@H](c1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYZKGMSMITJFV-ZOIKUAMBSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@H](Cc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFBVLJSTCEBFF-IKCDGGAZSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@H](CCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRCMRSLUMHHOCX-VIJAQQJFSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@H](CCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPIHKQBEDCWNHL-IDZUJHNRSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@H](CCCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLXQVGUAXCIDY-INIXEJBKSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@H](CCCCCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHBXQAFGLVWFW-XZPFMNNQSA-N", "SMILES:CC1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNCJGDXSWMLPL-CZPFUSMVSA-N", "SMILES:CCC1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIIFJETWKNANBI-DTYXXFCWSA-N", "SMILES:CCCCC1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGZSMNBDSJZSNV-XZPFMNNQSA-N", "SMILES:CC1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQPANGQQARNCGG-CZPFUSMVSA-N", "SMILES:CCC1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQQARDRENCQMHF-DTYXXFCWSA-N", "SMILES:CCCCC1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQJZPUCIDDTLT-TXTPUJOMSA-N", "SMILES:CC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBAGUTHIQQDDMW-TXTPUJOMSA-N", "SMILES:C=C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNHASGWWSVPUAI-TXTPUJOMSA-N", "SMILES:C#C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVWTAHVIWPMER-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C#N)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUQDKXLALFOFQ-UNTXSKPGSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C(F)F)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGUVOOFOVRJRJ-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CCl)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOJSNVYXFKSKGH-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CF)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXUJXXKBNEKRI-OEUJLIAZSA-N", "SMILES:CCC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDATHVZPPWXGQ-OEUJLIAZSA-N", "SMILES:C=CC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105261", "category": ["biolink:ChemicalEntity"], "name": "PLOMESTANE", "xref": ["InChIKey:JKPDEYAOCSQBSZ-OEUJLIAZSA-N", "SMILES:C#CC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "synonym": ["Plomestane", "Plomestano", "MDL 18,962", "MDL-18962", "Plomestane"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPDZJCSDASOIX-VDWQKOAOSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CC#N)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSOBGGNORMIRI-IEYYFSCXSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CC(F)F)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKXHIGCQJRMURJ-VDWQKOAOSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CCCl)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPVHSZMKCBMDF-VDWQKOAOSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CCF)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMVNNNTLDUEBG-PFIYWFKMSA-N", "SMILES:COC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXSFNGKRCOHRS-VMRCMBGLSA-N", "SMILES:CC(=O)OC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFHKAIGHZYAME-KZQROQTASA-N", "SMILES:C[C@]12CCC(=O)C(O)=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVBVOKOEBJPKU-PFIYWFKMSA-N", "SMILES:COC1=C2C=C[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSDAOLDPDWQDM-VMRCMBGLSA-N", "SMILES:CC(=O)OC1=C2C=C[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWPWKCZEURREI-DQXCSHPPSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](F)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWPWKCZEURREI-BMSLSITRSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSZHNVVPABXFD-SOSWDBSXSA-N", "SMILES:C[C@]12C[C@@H](F)C(=O)C=C1[C@H](F)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDWBYLHUOVMBL-MRXGKOFTSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC[C@]4(F)[C@@H](O)C(=O)CC[C@]34C)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVAMBAWFDOYFOD-BMSLSITRSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVAMBAWFDOYFOD-DQXCSHPPSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWQRBIGKRAICT-DQXCSHPPSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](Br)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHKSRCJORQRXEN-HBFSUTTMSA-N", "SMILES:C[C@]12CC[C@@H]3C4CCC(=O)C(F)=C4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRBEAIYDMHSJE-KZQROQTASA-N", "SMILES:C[C@]12CCC(=O)C(F)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSIWFNCBCJFFKG-JLZSVDHQSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C(F)F)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOQFNDRWNKQBN-SFTVRDHCSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(O)C[C@@]43C(F)F)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSMCEDAOAKMTGP-OGBUKGPGSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C(F)F)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFGDPPHTYUQKOF-QAGGRKNESA-N", "SMILES:C[C@]12CCCCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCSOFZAESZNST-WFJVDCJUSA-N", "SMILES:C[C@]12CCCC(O)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVEPXTGDGRQENY-AJQSKXSLSA-N", "SMILES:CC(=O)O[C@@H]1C(=O)C2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJQNCIKWCGUMKT-JBOBNNORSA-N", "SMILES:C[C@]12CCC(=O)C=C1C(=O)[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNFNBIQLQLVSB-SVYLRGBCSA-N", "SMILES:CC1(C)C[C@@]2(C)C(=CC1=O)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXKFMMPZMDRMO-OBUPJUAISA-N", "SMILES:COC1=C2C(=O)C[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBRIMTCGKYZYQE-IWLMRPHOSA-N", "SMILES:CC1(C)C[C@@]2(C)C(=C(O)C1=O)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCZQWCDCNDHJL-RUVCREKUSA-N", "SMILES:C[C@]12C=C(O)C(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRSRBOLMCGQMOR-TYNFLTRKSA-N", "SMILES:CC(=O)OC1C[C@@]2(C)C(=CC1=O)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMMARAHEMOABLN-LYCWCRCVSA-N", "SMILES:COC1=C2C(=O)C[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXKRQWBEYJBRJA-SVYLRGBCSA-N", "SMILES:CCOC1=C2C(=O)C[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQBWTUPWNBXTH-RUVCREKUSA-N", "SMILES:C[C@]12CCC(=O)C(O)=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPXMJCCOZGKHHR-BKCLIDBKSA-N", "SMILES:C[C@]12CCC(=O)C(Sc3ccccc3)=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUFOQJFKBUMBB-BKCLIDBKSA-N", "SMILES:C[C@]12C=CC(=O)C(Sc3ccccc3)=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYLCMINTKNPSR-BKCLIDBKSA-N", "SMILES:C[C@]12C=CC(=O)C(Sc3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKVUYDHWSHNGQ-BKCLIDBKSA-N", "SMILES:C[C@]12CCC(=O)C(Sc3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUAXLOVFFOKOO-ZDAPDXHPSA-N", "SMILES:C[C@]12CCC(=O)C=C1C1OC1[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQSRLQCYQQLAEC-SOJMQHQVSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C=CC45OC4C(=O)CC[C@]35C)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLDYTGIAZVDIA-SDIPPPGCSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](N=[N+]=[N-])C(O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGAOWDGAVRHZJD-WXRCBICNSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](O)C(N=[N+]=[N-])[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHTKJKHMCSMPIQ-FOIWVJDZSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H]1N[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXRQFUPVMMYGQZ-UJSKJXFHSA-N", "SMILES:CC(=O)OC1[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C2[C@@H]1N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMCQUSCHBBGLE-XONGFMGISA-N", "SMILES:CC(=O)O[C@H]1C2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@@H]2C1N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YECIQXFCQCLTMU-IEVKOWOJSA-N", "SMILES:C[C@]12CCC(=O)C=C1C(N=[N+]=[N-])=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFBCSTYVNOCRU-OSDYXQBHSA-N", "SMILES:CC(=O)N1[C@H]2[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]3(C)CCC(=O)C=C3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJXURIPMBSFDD-NVUHLXDPSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2[C@@H]3[C@@H]4[C@H](CC[C@]5(C)C(=O)CC[C@@H]45)[C@@]4(C)CCC(=O)C=C4[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJXURIPMBSFDD-UJYBZJQCSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2[C@H]3[C@@H]4[C@H](CC[C@]5(C)C(=O)CC[C@@H]45)[C@@]4(C)CCC(=O)C=C4[C@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGATAHQDSEPQD-ZDAPDXHPSA-N", "SMILES:C[C@]12CCC(=O)C=C1C1C([C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRBHIIJKRBGQS-KUGTWDHWSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC(=O)[C@]45O[C@H]4CCC[C@]35C)C1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFEIDARGIDOBKE-HRMBUOKSSA-N", "SMILES:C[C@]12CCC3[C@@H](CC(=O)[C@]45O[C@H]4CCC[C@]35C=O)C1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZWLHICSTRECTH-GYXIVQSKSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45C(=O)CCC[C@]35C)C1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIFKRHONMNXNIP-YKWYNGRDSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45C(=O)CCC[C@]35C=O)C1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSUISQXHUBLXMD-KYOGTECMSA-N", "SMILES:C[C@H]1CCC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRIOAUOJGJMPEM-JPHGXWTRSA-N", "SMILES:CC[C@H]1CCC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBJFQBZYFHPGPY-AHFNSMAVSA-N", "SMILES:CCC[C@H]1CCC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCAVHYPYYQCLX-CPSBXNMUSA-N", "SMILES:CC(=O)OC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOBIAXIOWGPKND-XUHKJIGQSA-N", "SMILES:CC(=O)OC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(CO)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMUEPRBJHHPLK-YIEJCQFMSA-N", "SMILES:CCCC(=O)OC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEPNSVUJQBAWAC-BKCLIDBKSA-N", "SMILES:CCCCCC(=O)OC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOAKSQSCHWRAQX-NRUSOEPOSA-N", "SMILES:C[C@]12CCCC(OC(=O)c3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGXWKHLUSIUVRP-KFJLMCKQSA-N", "SMILES:C[C@]12CCCC(=O)C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1629804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOAOFLIFDRILH-QAGGRKNESA-N", "SMILES:C[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONZNYUINEAKZPL-ZGKZZVMJSA-N", "SMILES:CC1(C)C[C@@]2(C)C(=CC1=O)[C@H](Br)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONZNYUINEAKZPL-AZVSBUCYSA-N", "SMILES:CC1(C)C[C@@]2(C)C(=CC1=O)[C@@H](Br)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSPBNOFGCSCTB-BWZJGJKZSA-N", "SMILES:CC1=C[C@@]2(C)C(=CC1=O)C(Br)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWWRBZHWUQWCAY-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CBr)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHAGMEOCNIRULZ-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CI)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBURPRQSNUJWHX-IYNKWVJVSA-N", "SMILES:CC[C@]12CCC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMPUJKSNHNOKG-TXTPUJOMSA-N", "SMILES:CC[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARAJJIQFVAXTFG-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43CCl)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBUQLCLYOZENI-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43CBr)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPSVNKRRITNKQ-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43CI)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJBOMZFJXIEBGC-TXTPUJOMSA-N", "SMILES:CC[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOBKEHUMLXHWMT-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43CCl)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXNMQUAIZBYPK-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43CBr)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJUVHMRWTXRCM-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43CI)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSOIXXHSVXWSU-TXTPUJOMSA-N", "SMILES:CC[C@]12C=CC(=O)C=C1C=C[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPDPHHVKLRJOQ-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@@]43CCl)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXRUJLERMOFFY-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@@]43CBr)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPKYGOVOAFXCY-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@@]43CI)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTPUJIHMDPAFBH-RUVCREKUSA-N", "SMILES:C[C@]12CCC(=O)c3[nH]nc(c31)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBMKCHPKESVQRU-MAJDWUNFSA-N", "SMILES:C[C@]12CCC(=O)c3c1c(nn3C/C=C/c1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVOKTKMVJGWMO-MAJDWUNFSA-N", "SMILES:C[C@]12CCC(=O)c3nn(C/C=C/c4ccccc4)c(c31)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNNFPHCTNPRQD-SYEHWYHSSA-N", "SMILES:C[C@]12CCC(=O)c3c1c(nn3Cc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGFRQVJXQKRIGD-SYEHWYHSSA-N", "SMILES:C[C@]12CCC(=O)c3nn(Cc4ccccc4)c(c31)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNSRKBUFVSFKD-SYEHWYHSSA-N", "SMILES:C[C@]12CCC(=O)c3c1c(nn3Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXDKUIUXAWVRD-SYEHWYHSSA-N", "SMILES:C[C@]12CCC(=O)c3nn(Cc4cccc([N+](=O)[O-])c4)c(c31)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCSOFZAESZNST-DQXCSHPPSA-N", "SMILES:C[C@]12CCC[C@@H](O)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2111917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJINZNWBMZDWPK-YBKKEEBTSA-N", "SMILES:CC(=O)O[C@@H]1CCC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXZNIOSVPOXRE-ZEHJPDPISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4[C@H](O)CCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJZHRQZVXIRAK-XDBTUQKASA-N", "SMILES:CC(=O)O[C@@H]1CCC[C@@]2(CO)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCSOFZAESZNST-BMSLSITRSA-N", "SMILES:C[C@]12CCC[C@H](O)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXZNIOSVPOXRE-HDOZPKFNSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)CCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYTIMWXLVRWAHO-FHSQRROHSA-N", "SMILES:CO[C@H]1CCC[C@@]2(CO)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1629806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJODXGWEXHPEK-BMSLSITRSA-N", "SMILES:C[C@]12CCCC=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITTWLFIFVRTBR-HDOZPKFNSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CCCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJODXGWEXHPEK-DQXCSHPPSA-N", "SMILES:C[C@]12CCCC=C1[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITTWLFIFVRTBR-ZEHJPDPISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CCCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1629805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGCIHWZOIVCJGP-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEGBHRCHSDJHJ-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMEDDHFFBWFEGG-XGPYINPKSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H]([C@H](Cc4ccccc4)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFTHDRWWQWGYOW-RQYVQDPVSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H]([C@H](CCc4ccccc4)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQCZIACCVMWDJB-QUIBULTISA-N", "SMILES:C[C@]12CCC(=O)C=C1C[C@H](Cc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSMLUZTOHJLKX-HXTWUXIJSA-N", "SMILES:C[C@]12CCC(=O)C=C1C[C@H](CCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWSVVQNLWDXSM-QQOOJKGVSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H](OC(=O)CBr)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWSVVQNLWDXSM-BUHLXRKRSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@H](OC(=O)CBr)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PALQPHIJBDKABO-ZKHIMWLXSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWHINRNRZWFAW-KUJXMBTLSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGATAHQDSEPQD-OZWALMNPSA-N", "SMILES:C[C@]12CCC(=O)C=C1[C@@H]1[C@H]([C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTKDEIDBBFPRDB-VYSMZRNQSA-N", "SMILES:C[C@]12CCCC=C1[C@H]1C[C@H]1[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLSTAKYLXUMBB-YNVMMVBGSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CCCC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3751881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQYFKZBWJXPTC-KYOGTECMSA-N", "SMILES:C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEIWUALXUKRPTD-JPHGXWTRSA-N", "SMILES:CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACSJNDEAKXXDF-AHFNSMAVSA-N", "SMILES:CCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPURWDGXHMEFGV-QJAPXLAMSA-N", "SMILES:CCCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQYFKZBWJXPTC-UNGCGJEISA-N", "SMILES:C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEIWUALXUKRPTD-MJTUNMDVSA-N", "SMILES:CC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FACSJNDEAKXXDF-XTMJBTMZSA-N", "SMILES:CCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTVISLAECGBLA-JMCHSHGGSA-N", "SMILES:CCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVURERDJMLXMHG-ZYVPZICASA-N", "SMILES:CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWNGNWLDMFXAW-SWXUPSNXSA-N", "SMILES:CO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVURERDJMLXMHG-YBKKEEBTSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWNGNWLDMFXAW-XOJMLDNQSA-N", "SMILES:CO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJUIXSSEIVANC-SRWFMXFCSA-N", "SMILES:C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGGNLFKRWMFCH-XOQWRKILSA-N", "SMILES:CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPWLPAJYJGUKSR-FYDINOQCSA-N", "SMILES:CCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJUIXSSEIVANC-MOHPQNJESA-N", "SMILES:C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGGNLFKRWMFCH-HGFNSASZSA-N", "SMILES:CC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPWLPAJYJGUKSR-COJIAERBSA-N", "SMILES:CCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(O)CC[C@@H]23)[C@@]2(C)CCCC=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCPJFKOQRKNTI-XRMIONRASA-N", "SMILES:C[C@]12CCCCC1=CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWRHWYERRAYID-BHHKEHIISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C(=O)C=C4CCCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNZMBLUQMGTAY-TZFHMXFSSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C(=O)C=C4CCCC[C@@]43CO)[C@@H]1CCC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDMACWWIQYSTK-BHHKEHIISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C(=O)C=C4CCCC[C@@]43C=O)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRGNZGUKMXMKK-MXDZRLJMSA-N", "SMILES:C[C@]12CC[C@@H]3C4CCCCC4=CC(=O)[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHDOTNMSJDQVEE-ZENYQMPMSA-N", "SMILES:C[C@]12CCC=CC1=CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXCMOUXXLQOEC-XRMIONRASA-N", "SMILES:C[C@]12CCC=CC1=CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFAFOAPBXHFTC-BHHKEHIISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C(=O)C=C4C=CCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMIRMQOMASATMY-BHHKEHIISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C(=O)C=C4C=CCC[C@@]43C=O)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMNWQOATBFQMRP-MXDZRLJMSA-N", "SMILES:C[C@]12CC[C@@H]3C4CCC=CC4=CC(=O)[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADWFPYROOHCVON-XZIMXZIZSA-N", "SMILES:C[C@]12CCCCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYZCWFJXYBEIT-WTXRSMSQSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]43CO)[C@@H]1CCC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVDSCBZPGQBFFD-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]43C=O)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXSRYCCKGWATML-NBBHSKLNSA-N", "SMILES:C[C@]12CCCCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NINLAYUXSUKKHW-QAGGRKNESA-N", "SMILES:C[C@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDTLPVXKKHGQBG-XZIMXZIZSA-N", "SMILES:C[C@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNGTFUZFZBVCL-WERNOVKHSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C(=O)CCC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQHGTBBZLJSFLR-AJQSKXSLSA-N", "SMILES:CC(=O)O[C@H]1CCC[C@@]2(C)C1=CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDDWXXSAPDKCQ-UJHGKSHTSA-N", "SMILES:C[C@]12CCC[C@H](O)C1=CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAOOSQMVGGCQGG-XDQNADNFSA-N", "SMILES:C[C@]12CCCC(=O)C1=CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODNBIFVKLKREB-VAVNGLLHSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C(=O)C=C4C(=O)CCC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNMGMYNIOWGMZ-LBRNMREWSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C(=O)C=C4C(=O)CCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXVAQKGJRZHQB-LBRNMREWSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](C(=O)C=C4C(=O)CCC[C@@]43C=O)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISJLOKIFQHNNQ-IEVKOWOJSA-N", "SMILES:C[C@]12CCCC=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYBVKWFBOMCXHW-WERNOVKHSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CCCC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPHYGQAKQMREMZ-JELDOXETSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CCCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCYQXWPILOXZRM-GINZOMEDSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CCCC[C@@]43CO)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKIJAGLGZKVKAT-JELDOXETSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CCCC[C@@]43C=O)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUAODBBIXBASDM-JELDOXETSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C(=O)CCC[C@@]43CO)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWEHLHPJCDGZDQ-GINZOMEDSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C(=O)CCC[C@@]43CO)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDJXBDUSTUTMQQ-JELDOXETSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C(=O)CCC[C@@]43C=O)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOBHNUCKCZMLOG-JPVZDGGYSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(F)c(O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1079595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESQEGKZVXLYKV-JPVZDGGYSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(Cl)c(O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVITVXNLPKMREE-JPVZDGGYSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(Br)c(O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRJQALYSMXXLH-MVWRLGRASA-N", "SMILES:Cc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDLEHWKNOIADX-MVWRLGRASA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(C=O)c(O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHEUWNKSCXYKBU-QPWUGHHJSA-N", "SMILES:COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1835542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYPVKBFRMXQDI-JPVZDGGYSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPUUALWKMPJNCY-JPVZDGGYSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(N)c(O)cc4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAJIVJCXOGUMLA-QDTBLXIISA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)c(F)c4CC[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDPXSAXRLVDBIR-XSSYPUMDSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(F)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1628064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORISAYAZBCIQH-XSSYPUMDSA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(Br)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1627841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWCHGOKIWOAEF-NNYOOSKESA-N", "SMILES:C[C@]12CC[C@@H]3c4cc(C=O)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299613", "category": ["biolink:ChemicalEntity"], "name": "2-METHOXYESTRADIOL", "xref": ["InChIKey:CQOQDQWUFQDJMK-SSTWWWIQSA-N", "SMILES:COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"], "synonym": ["2-methoxyestradiol", "2-methoxyoestradiol", "NSC-659853"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1627337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFXMXJXAUMHQR-ZHIYBZGJSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)c(F)c4CC[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUJSHAHJIQWGNF-AFTVQHQSSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)c(C=O)c4CC[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWICAWRFGMTPC-UHLBHMMKSA-N", "SMILES:C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRGFQSWLQVIHB-PPNWJYOJSA-N", "SMILES:CCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIZHECRTWMNURB-JVKFEPQXSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4[C@@H](c4ccccc4)C[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWWIECUBWJENW-PNLNHXMZSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4[C@@H](Cc4ccccc4)C[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWIRHKVZQGHND-WWECUESFSA-N", "SMILES:CO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATUBYXMOPIFAK-MAPXSJPWSA-N", "SMILES:CCO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGDVELCVBBANT-AQFHFAHGSA-N", "SMILES:CCCCO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWICAWRFGMTPC-QTEIULIJSA-N", "SMILES:C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRGFQSWLQVIHB-NDRJJFPVSA-N", "SMILES:CCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIZHECRTWMNURB-MJXJJMPNSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4[C@H](c4ccccc4)C[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKCSZSWFPQOFBM-WRGWGIGQSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4[C@H](CCCc4ccccc4)C[C@H]3[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWIRHKVZQGHND-IIZUFCTNSA-N", "SMILES:CO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATUBYXMOPIFAK-BYDUFCQCSA-N", "SMILES:CCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGDVELCVBBANT-DSMCQNTQSA-N", "SMILES:CCCCO[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIWQIXCJHHWPIT-KVFKSIMTSA-N", "SMILES:C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVBRPOMKYGJOB-FKWKUBMGSA-N", "SMILES:CCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBWHDBKIZVPQB-DZVSKPILSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4[C@@H](c4ccccc4)C[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXHOGDYDNZUTSO-PQENSZJKSA-N", "SMILES:CO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIWQIXCJHHWPIT-WWELPLAASA-N", "SMILES:C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVBRPOMKYGJOB-WKOKONBOSA-N", "SMILES:CCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]23)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBWHDBKIZVPQB-DTZDQBBASA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4[C@H](c4ccccc4)C[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPHFOOOWKDPIFC-LJXSUUSKSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4[C@H](CCCc4ccccc4)C[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZOSNWYWZNEJT-OAGDOXAWSA-N", "SMILES:CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSOJBPSBUAABDR-NBBHSKLNSA-N", "SMILES:C[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSOJBPSBUAABDR-HKQXQEGQSA-N", "SMILES:C[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](Br)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMFWEHJTLFYKGK-UNTXSKPGSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43C(F)F)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYTVFWLOYBJNO-BYRZEANZSA-N", "SMILES:C#CC(O)[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEXKAORQQXRDCM-WTXRSMSQSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43CO)[C@@H]1CCC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLVHBJTPIXZSO-QSPSTWPYSA-N", "SMILES:CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHRUZOYPFWLBFR-QSPSTWPYSA-N", "SMILES:CC(=O)OC1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(CO)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWKOBGYDJILZHR-JLZSVDHQSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43C(F)F)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEHJFIPYSWVCTE-BCKSAFLJSA-N", "SMILES:CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(OC(C)=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCFMDPVHKVRDJ-BGJMDTOESA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@@H]1CCC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1908014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSBCZTXGVMMZOT-NBBHSKLNSA-N", "SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](O)C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWFCHTZPCGZPQD-ROSLGNJOSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1C[C@@H](O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMCWOAZGWMZGQT-FPNLOETNSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5274867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOZSWYOZKQMJNX-GJWDPZFISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1C[C@@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAYZWWAPNVDMQK-NBBHSKLNSA-N", "SMILES:C[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWGXGPETCXINE-ROSLGNJOSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43CO)[C@@H]1C[C@@H](O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXMOBICZNXLIZ-ROSLGNJOSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43C=O)[C@@H]1C[C@@H](O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSYKSMXMQXYYEK-FPNLOETNSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43C)[C@@H]1C[C@@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFPPCXYVMQZFB-GJWDPZFISA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43CO)[C@@H]1C[C@@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAPLEUYNDAGXIX-MOZDRDNRSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)[C@@H](O)C(=O)CC[C@]34C)[C@@H]1CCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULDEWBYHYQPBA-RYMMJHGPSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4C(=O)[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPOBMSQUCCYJO-IEVKOWOJSA-N", "SMILES:C[C@]12CCCC(=O)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2112739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJINZNWBMZDWPK-ZYVPZICASA-N", "SMILES:CC(=O)O[C@H]1CCC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVDSXMKJDCDWLU-ZENYQMPMSA-N", "SMILES:C[C@]12CCCCC1=CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOIJSIMMIDHMO-FBPKJDBXSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUJIBCYRJIBIPA-UHFFFAOYSA-N", "SMILES:CNc1ncc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHAQVXPRQBAPR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(c2ccc3nncn3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAKJOUVIVRSNKI-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N4Cc5ccccc5C4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKGWDQMQMQRGLJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2[nH]nc(Cc3ccc4c(cnn4C)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHNXBYACIOVGBQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2[nH]nc(Cc3ccc(-c4cnn(C)c4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXDGOKVFTJDAPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWQITRVFICFRMN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCCCN2CCN(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451713", "category": ["biolink:ChemicalEntity"], "name": "NYASOL", "xref": ["InChIKey:VEAUNWQYYMXIRB-JHAQOBCDSA-N", "SMILES:C=C[C@H](/C=C\\c1ccc(O)cc1)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5284918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEAUNWQYYMXIRB-XSHSDMCLSA-N", "SMILES:C=C[C@@H](/C=C\\c1ccc(O)cc1)c1ccc(O)cc1"], "chembl_natural_product": true}
{"name": "Sulfotransferase 1A1", "xref": ["CHEMBL.TARGET:CHEMBL4886"], "id": "UniProtKB:P17988", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Sulfotransferase 2A1", "xref": ["CHEMBL.TARGET:CHEMBL3007"], "id": "UniProtKB:P15709", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNCVCMDUQDAWGY-SFHVURJKSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc3)no2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKZMFUVSSRXAN-IBGZPJMESA-N", "SMILES:CCc1ccc(-c2cc(-c3ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc3)no2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKPYAOVENFRFV-NYVOZVTQSA-N", "SMILES:COc1ccc(S(=O)(=O)N2[C@H](C(=O)NO)C[C@@H]3CCN(C(=O)CCc4ccccc4)C[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFQADHTAIYAAR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)c2ccc3c(-c4ccccc4)c[nH]c3c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNRQRVTTZAJDJB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)c2ccc(N3CCCC3)cc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LATUPWGRCONBPX-UHFFFAOYSA-N", "SMILES:O=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(-c4ccc(-c5ccncc5)cc4)nn3)cc2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBDCDXFJSXBXGX-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc4ccccc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUPEVCFNNILLD-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC2=C1Cc1cc(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRCVJKITUYIQI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)c2ccc(N3CC=CC3)cc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZKOBLHHRSTMHO-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4301261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRDUDJQILRRES-UHFFFAOYSA-N", "SMILES:NCc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNYBUAYDLDZCL-UHFFFAOYSA-N", "SMILES:NCc1nc(-c2ccc(Oc3ccc(S(=O)(=O)CC4CS4)cc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZOROBUBKRXFC-XMMPIXPASA-N", "SMILES:Cc1ccc(NCC(=O)[C@@H](Cc2ccccc2)NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYSQUUASSKZFBG-KTKRTIGZSA-N", "SMILES:Cc1nc2ccccc2n(CC(=O)NN/C=C\\c2cccc([N+](=O)[O-])c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456309", "category": ["biolink:ChemicalEntity"], "name": "ARTEPILLIN", "xref": ["InChIKey:KABCFARPAMSXCC-JXMROGBWSA-N", "SMILES:CC(C)=CCc1cc(/C=C/C(=O)O)cc(CC=C(C)C)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRTKPYKFOUWGGI-DZESLHPLSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)COC(=O)[C@]3(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C3)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWNSOOPPBCNQF-YGWLTCILSA-N", "SMILES:CCC(C)[C@@H](C(=O)N[C@@H](CCNC(=O)c1cc(F)cc(F)c1)C(=O)NO)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N(C)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMGMVINNFYZQX-LIOLAMKISA-N", "SMILES:CCCCCC(=O)N1C[C@H](F)C[C@H]1C(=O)N(C)[C@H](C(=O)N[C@@H](CCNC(=O)c1ccccc1)C(=O)NO)C(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKICMBONSFPSLX-QLFBSQMISA-N", "SMILES:CC(C)c1noc([C@@H](NC(=O)[C@H](CC2CCCC2)[C@H](O)C(=O)NO)C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNBPHIWANZLRB-UHFFFAOYSA-N", "SMILES:O=C(CCCSc1nc(=O)c2ccccc2[nH]1)Nc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTCYLUBBXQARQV-IRXDYDNUSA-N", "SMILES:CN([C@H]1CN(C(N)=O)C[C@@H]1S)S(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1834423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANDWSFYLCHFFT-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYRIEDYISPXFA-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSJMXRNKHMDPV-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)cc2Cl)c(Oc2ccc(Cl)cc2Cl)c1C1N=C(N)NC(NCCc2ccccc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBOGJPAPXRNND-UHFFFAOYSA-N", "SMILES:O=C(O)CCCNc1nc(NCCc2ccc(O)cc2)nc(N2CCN(c3nc(NCCC(=O)O)nc(Nc4ccc(Oc5ccccc5)cc4)n3)CC2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFCWTCGUPAAJSE-UHFFFAOYSA-N", "SMILES:NCCNCc1cncn1-c1ccc(-c2nc(CCc3ccc4ccccc4c3)cs2)c(OCCN2CNCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVHQFKVVXNRWQI-UHFFFAOYSA-N", "SMILES:NCCNCc1cncn1-c1ccc(-c2nc(CCc3ccc(-c4ccccc4)cc3)cs2)c(OCCN2CNCC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPHVDMSFUCANI-UHFFFAOYSA-N", "SMILES:CCNc1nc(NCCc2ccc(O)cc2)nc(N2CCN(c3nc(N)nc(Nc4ccc(Oc5ccccc5)cc4)n3)CC2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOZUXMAOAYXAF-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCNc2nc3nc(n2)N2CCN(CC2Cc2ccccc2)c2nc(nc(Nc4ccc(Oc5ccccc5)cc4)n2)NCCOCCOCCOCCN3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQPPQCXSCCQDRT-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCNc2nc3nc(n2)N2CCN(CC2Cc2ccccc2)c2nc(nc(Nc4ccc(Oc5ccccc5)cc4)n2)NCCOCCOCCOCCOCCN3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SALGEFUBFPAQMT-UHFFFAOYSA-N", "SMILES:CCNc1nc(NCc2ccc3c(c2)OCO3)nc(N2CCN(c3nc(N)nc(Nc4ccc(Oc5ccccc5)cc4)n3)CC2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IESDFIHYWFFUJT-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)c5ccc(NC(C)=O)c(OCC(=O)O)n5)c(OCC(=O)O)n4)c(OCC(=O)O)n3)c(OCC(=O)O)n2)c(OCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUPWAPRHGFOGV-UHFFFAOYSA-N", "SMILES:NCCCOc1nc(C(=O)O)ccc1NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c(OCCCN)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMOSSHFBBBMID-UHFFFAOYSA-N", "SMILES:CCC(C)Oc1cc(C(=O)Nc2cccc3c(OCC(=O)O)cc(C(=O)OC)nc23)nc2c(NC(=O)c3cc(OCC(=O)O)c4cccc(NC(=O)c5cc(OC(C)CC)c6cccc([N+](=O)[O-])c6n5)c4n3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSDDGKVSDIIKZ-UHFFFAOYSA-N", "SMILES:CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCLEEDNZFVFKQ-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(NC(=O)CCN)c(C#Cc2cc(OCc3ccccc3)ccc2C(=O)NC(=O)C(=O)O)c1OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCXIVXRLWSHQSZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N(Cc1ccccc1)c1nc(NCC(=O)O)c2ncn(Cc3cccc4ccccc34)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APBNMLAWWUGORC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)O)c(OCc3ccccc3)c2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKIACSTDJXMHK-UHFFFAOYSA-N", "SMILES:CCCc1c(NC(=O)Nc2sccc2CCC(=O)O)ccc2sc(N(CCC(=O)O)C(=O)OCC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISWQGLURAAAKE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCN(CCO)CC5)cc4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJFCBQXPTQSTCZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)ncn3-c2cc(NS(=O)(=O)C3CC3)cc(-c3ccc(F)cc3F)c2)cn1"]}
{"name": "Fibroblast growth factor receptor substrate 2", "xref": ["CHEMBL.TARGET:CHEMBL5291586"], "id": "UniProtKB:Q8WU20", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXXJOFNWFFKBRC-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncnc(N(C)C(=O)Nc4c(Cl)c(OC)c(Cl)c(OC)c4Cl)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269917", "category": ["biolink:ChemicalEntity"], "name": "SEGIGRATINIB", "xref": ["InChIKey:QNXOYMFBIACDSL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCNC(C)(C)C5)cc4)n[nH]c3n2)c1Cl"], "synonym": ["Segigratinib", "Segigratinib", "Segigratinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFLKJNSBBVSPFE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMBHFEGLMDPHMG-LCYFTJDESA-N", "SMILES:O=C(O)CCc1c(/C=C2\\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXIVYIYCEBUEHL-RTQGILJWSA-N", "SMILES:CC(C)[C@H]1C(=O)OC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(C)CC(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBJHERBDAHBSU-UHFFFAOYSA-N", "SMILES:CC(C)Cn1ccc2c(N)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOARUCVICONZSI-NCELDCMTSA-N", "SMILES:CCCN(CCC)C(=O)/C1=C/c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2/N=C(/N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDCWWDAKYCZGK-DCNAHEOSSA-N", "SMILES:NC1=NC2C(N=CN2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](N5C=NC6C(=O)NC(N)=NC65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYNCCYMICCSODD-PWFDKFLXSA-N", "SMILES:Nc1nc(N)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]5C(O)[C@@H](COP(=O)(O)O[C@H]4[C@H]3O)O[C@H]5n3ccc4c(=O)nc(N)[nH]c43)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWEYYADSJWXHBV-JJHYSSHZSA-N", "SMILES:NC1=NC(=O)C2N=CN([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)nc(N)nc76)O[C@@H]5COP(=O)(O)O[C@H]4[C@H]3O)C2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL166512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPGHVSRLCUIJPO-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHLDEAPTQVDFC-NTEPOFGFSA-N", "SMILES:CCn1nc(C)cc1C(=O)/C=C1\\Nc2cc(C(N)=O)cc(CCCN3CCOCC3)c2N1C/C=C/CN1/C(=C/C(=O)c2cc(C)nn2CC)Nc2cc(C(N)=O)cc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNOAOAWBMHREKO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJLPXCPMNSRAM-SFHVURJKSA-N", "SMILES:CC#CC(=O)N1CC[C@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBGFWYDXCHMDX-DJNXLDHESA-N", "SMILES:Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1N1C(=O)c2cccc(F)c2C(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAAMBZSIJHLSRM-AQOJYXMDSA-N", "SMILES:NC(=O)[C@H]1CCN(c2ncnc([N+](=O)[O-])c2F)C[C@@H]1N1CCCC(Nc2cc(Cl)cc(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZVTRXLOJZLGC-UHFFFAOYSA-N", "SMILES:CC1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3cccc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOOFZZILLRUQH-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3C(=O)N(C)CCN3C)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLAGOZYTIBOAQS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPILBYRQPOXMV-CYBMUJFWSA-N", "SMILES:N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPKENIQQACFGX-GOSISDBHSA-N", "SMILES:N[C@@](CCCCB(O)O)(C(=O)O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISYBHIALKUAHGV-UHFFFAOYSA-N", "SMILES:NC(CCCCB(O)O)(C(=O)O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWVRJTMFETXNAD-ZZVAFGPTSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGCIIXWEFTPOC-UABZBGRASA-N", "SMILES:OC[C@H]1O[C@H](Oc2cc(/C=C/c3cc(O)cc(O)c3)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "Arginase-1", "xref": ["CHEMBL.TARGET:CHEMBL4630836"], "id": "UniProtKB:Q61176", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHPOPKNMQWYZLR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc3ccc(C(N)=O)cc23)cc(-c2cc3n(n2)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSDIMIOWHBRXOR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYWRCTGUUZWRDE-ATJXCDBQSA-N", "SMILES:O=C1/C(=N\\Nc2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRLRKPWCOJNPU-ROMGYVFFSA-N", "SMILES:CCOC(=O)c1ccc(N2NC(c3ccc([N+](=O)[O-])cc3)/C(=N/Nc3ccc(S(=O)(=O)O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOOBHNLRKAMWSH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cn(CC(=O)Nc3nc4ccccc4s3)nn2)c2cc(C(=O)O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHIGCSXZUFDOGL-WUKNDPDISA-N", "SMILES:O=C1Nc2cc(S(=O)(=O)O)ccc2C1/N=N/c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273932", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGJYZGIWNQUCGV-GXFFZTMASA-N", "SMILES:C[C@@H]1OCC2(CCN(c3nc(N)c(Sc4cccnc4C(F)(F)F)c(=O)n3O)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNJYAGKLYNUXFR-ZRDIBKRKSA-N", "SMILES:CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1CN1CCC=C(C2C(=O)Nc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMDIPOISWYLRIC-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCC(C)(N)CC2)c(CO)nc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZEMWXBIYCVUHQ-KYNRVSRZSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@]3(C)CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMPYUGVZZWAJS-UHFFFAOYSA-O", "SMILES:C[n+]1c(CCc2c[nH]c3ccccc23)cc(N)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1874337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYZDFSNBBOHTA-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)/N=C(\\N)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHNSVDCBRHFXAE-UHFFFAOYSA-N", "SMILES:Br.N=C(N)SCCOc1oc(=O)c2cc(NC(=O)Nc3ccccc3)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLQTQKACLQHOQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(F)Oc1ccccc1S(=O)(=O)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4578793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSPPFVMBFSONKS-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccccn2)c2c(-c3ccccc3)n(O)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATUISHMNSVOAKG-HKOYGPOVSA-N", "SMILES:O=C1/C(=N/Nc2nccs2)C(c2ccccc2)=NN1C1=NC(c2ccccc2)CS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEJUFZZDEUKSGS-LYBHJNIJSA-N", "SMILES:CCOc1ccccc1N/N=C1/C(=O)N(C2=NC(c3ccccc3)CS2)N=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWOWGGGCFKPAQB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc2c(cc1Br)c1cc(Br)ccc1n2CC(O)CN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL343732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUUJEXLRLIPQQJ-UHFFFAOYSA-N", "SMILES:OC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQAGDGLLUPMLV-IGOOQNSHSA-N", "SMILES:COCCOCOc1ccc2c(c1)O[C@H](CN(Cc1ccc(Br)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)[C@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUPXNNVRTSEHSR-IGOOQNSHSA-N", "SMILES:COCCOCOc1ccc2c(c1)O[C@H](CN)[C@H]2N(Cc1ccc(Br)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJKAOSXSHTYWOT-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC1=CC(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517247", "category": ["biolink:ChemicalEntity"], "name": "MULBERROFURAN D", "xref": ["InChIKey:WCJPAQJEARHLGS-KEBDBYFISA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)ccc2cc(-c3cc(O)cc(O)c3CC=C(C)C)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHQUYJYCQFUYJC-UHFFFAOYSA-N", "SMILES:CC(C)=CCCC1(C)C=Cc2c(ccc3cc(-c4cc(O)cc(O)c4CC=C(C)C)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGCRCBRLVWLGZ-RNQBDGKHSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC/C(C)=C\\Cc1c(O)cc(O)c(CC=C(C)C)c1-c1cc2ccc(O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYNGSPDPASNLN-BLAIOOKWSA-N", "SMILES:Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@H](C)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDMMOFAMUXTQZ-VLRRDGGXSA-N", "SMILES:Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@@H](C)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5278532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDMMOFAMUXTQZ-AKMQMZFLSA-N", "SMILES:Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@H](C)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4097388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGWHBZURNWRDG-LNZAMEHWSA-N", "SMILES:Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(C)(C)[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5274481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDHYTBXPYASNM-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(Oc2cc(O)c(O)c3c2Oc2c(O)cc(Oc4c(O)cc(Oc5c(O)cc(O)c6c5Oc5c(O)cc(O)cc5O6)cc4O)cc2O3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHYNTHBAMAEFJB-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(cc(O)c(-c4c(O)cc5c(c4O)Oc4c(Oc6cc(O)cc(O)c6)c(O)cc(O)c4O5)c2O)O3)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODXTBIKOSPADE-UHFFFAOYSA-N", "SMILES:COc1ccc(NCC2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUZVHUCPWIDIGV-UHFFFAOYSA-N", "SMILES:COc1ccccc1NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDZHFHEYVMTKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NCC2CCN(Cc3ccccc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDISZLBVVBRPIK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRTYGCKYPFSQNR-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1613299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPNAQSFBMZOEC-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZZZZMGPPRYDDK-UHFFFAOYSA-N", "SMILES:CCC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCN4CCC(CC5Cc6cc(OC)c(OC)cc6C5)CC4)c3C(C1)C2.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NULVQNABVRADJX-UHFFFAOYSA-N", "SMILES:CCC1=CC2Cc3nc4cc(Cl)ccc4c(NCCN4CCC(CC5Cc6cc(OC)c(OC)cc6C5)CC4)c3C(C1)C2.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGQVGWIWXJABE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CC(CC1CCN(CCCNc3c4c(nc5cc(Cl)ccc35)CC3C=C(C)CC4C3)CC1)C2.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMDAIZGMJHSFHP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CC(CC1CCN(CCNc3c4c(nc5cc(Cl)ccc35)CC3C=C(C)CC4C3)CC1)C2.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1190127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYACMZGTAWHUQF-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1196204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZPCUVMLZBWGD-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1195130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLGKWPHPNYLNFS-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3)NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1194486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSXQVUTYDCZRO-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1194487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNGWXVMPJPEMO-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3)NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHILWSKZCOLDGP-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(N3C(=O)c4ccccc4C3=O)ccc2CN1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABXOSVSNRQUCLU-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)N2Cc3ccc(N4C(=O)c5ccccc5C4=O)cc3CC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXGNCQQSGCFRBR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N1Cc2ccc(N3C(=O)c4ccccc4C3=O)cc2CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNVVBKBUOQYFZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2Cc3ccc(N4C(=O)c5ccccc5C4=O)cc3CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIEWLGRGIVAZSL-BMRADRMJSA-N", "SMILES:C/C(=C\\C1=CCN(C(=O)CCc2ccccc2)C(=O)C1)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKLBMIMHAJCJI-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/c2nnc(-c3ccc(Cl)cc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJPSDHGQSTMMS-XVNBXDOJSA-N", "SMILES:COc1cc(/C=C/c2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZQTQJHVKGWNO-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/c2nnc(-c3ccc(F)cc3)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAGDEHOMTUDPHF-XVNBXDOJSA-N", "SMILES:COc1cc(/C=C/c2nnc(-c3ccc(F)cc3F)o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLCWXMQTECDEPJ-QPJJXVBHSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cc(I)c(Cl)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPWLEVFHSWSKJ-ZZXKWVIFSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)c1cc(I)c(Br)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQJVGJFFZGZOW-QPJJXVBHSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccc(F)cc2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBZEXVUPQKLJA-VMPITWQZSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cc(I)c(OC)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOGMVHNWUBZGX-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(F)cc2)oc2cc(F)c(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCFYJLFSWICSOK-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2ccc(Cl)cc2)oc2cc(F)c(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZNYVZFDNAOGPE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3cc(OC)c(I)cc3c(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKVONSLWYHHDMW-PNQUVVCRSA-N", "SMILES:O=c1c(/C=N/Nc2ccc(C(F)(F)F)cc2)coc2cc3oc(-c4cccc(F)c4)cc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPIPNWVXYISVFC-PNQUVVCRSA-N", "SMILES:O=c1c(/C=N/Nc2ccc(C(F)(F)F)cc2)coc2cc3oc(-c4cccc(Cl)c4)cc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJXYJVCUHXNVFT-VVEOGCPPSA-N", "SMILES:COc1ccc(-c2cc3cc4c(=O)c(/C=N/Nc5ccc(C(F)(F)F)cc5)coc4cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHBHMLRBZGPMV-PNQUVVCRSA-N", "SMILES:O=c1c(/C=N/Nc2ccc(C(F)(F)F)cc2)coc2c1ccc1oc(-c3cccc(F)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALGFXATVXBZEBW-SRZZPIQSSA-N", "SMILES:COc1cc(O)cc(-c2cc3ccc(O)c(C/C=C(\\C)CCC=C(C)C)c3o2)c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLHBPOQSQJYBCL-UHFFFAOYSA-N", "SMILES:CC12CC(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)CC3c4ccc(O)cc4OC31C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950045", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYTYROSOL", "xref": ["InChIKey:JUUBCHWRXWPFFH-UHFFFAOYSA-N", "SMILES:OCCc1ccc(O)c(O)c1"], "synonym": ["Hydroxytyrosol", "Homoprotocatechuyl alcohol", "Hydroxytyrosol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFWGABANNQMHMZ-MMMSKXSNSA-N", "SMILES:C/C=C1/C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL444478", "category": ["biolink:ChemicalEntity"], "name": "ACETOSIDE", "xref": ["InChIKey:FBSKJMQYURKNSU-ZLSOWSIRSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O"], "synonym": ["Acetoside", "Acteoside", "Verbacoside", "Verbascoside"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4783450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCGSQHKPZSIKB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1CC=C(C)C)C(=O)CC(c1ccc(O)cc1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1231518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGCRBMNFSAUOC-YRNVUSSQSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)cc1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNQYHTVUADEJHB-LDADJPATSA-N", "SMILES:COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1C/C=C(\\C)CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445740", "category": ["biolink:ChemicalEntity"], "name": "BETA-CARYOPHYLLENE", "xref": ["InChIKey:NPNUFJAVOOONJE-GFUGXAQUSA-N", "SMILES:C=C1CC/C=C(\\C)CC[C@@H]2[C@@H]1CC2(C)C"], "synonym": ["Caryophyllene", "(-)-(e)-caryophyllene", "(-)-trans-caryophyllene", ".beta.-caryophyllene", "Beta-caryophylene", "Beta-caryophyllene", "Trans-.beta.-caryophyllene", "Trans-caryophyllene", "FEMA NO. 2252", "NSC-11906"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBVXCPZNIRQAZ-IYUXVQPDSA-N", "SMILES:CSCCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)[C@H](NC(=O)c2ccc(NN)nc2)CCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWKIUQLKQSRMD-GYFGTUTMSA-N", "SMILES:CCCCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)[C@H](NC(=O)c2ccc(NN)nc2)CCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1449204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKXFPZQLPGPFOM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1417970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZZSESTGDKXTF-UHFFFAOYSA-N", "SMILES:CCOC(=O)CS(=O)(=O)c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIOCVBYHNZCDSK-VTXICLMYSA-N", "SMILES:Cc1cs/c(=N\\c2ccccc2)n1/N=C/c1ccc(O)c(O)c1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPBMVSPSUCLMLH-WINKVWEOSA-N", "SMILES:Br.Oc1ccc(/C=N/n2c(C3CC3)cs/c2=N\\c2ccccc2)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALOIVXCOXIBKFU-XICJKMHVSA-N", "SMILES:CCOc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)C(=O)NC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XROASQHSRJPQKM-MBXCTOFRSA-N", "SMILES:O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGJIZCLLARQVMA-SFHVURJKSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSSCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROWSTIYZUWEOMM-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBBXDMHUNRJEH-BYCLXTJYSA-N", "SMILES:CN(C)CCCO/N=C1\\c2cc(OCCCN(C)C)ccc2-c2cnc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBSPNNFSDCBCEH-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cc2ccccc2n2nnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPYSYRMIXRZJT-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKAGIRWSFSPBSC-CSKARUKUSA-N", "SMILES:O=C(/C=C/c1cccc(S(=O)(=O)c2ccc3ccccc3n2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDQUKCPNSRTTR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNc2cccc3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLMPKINHBQAHPE-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C4CCN(c5ccc(F)cc5)C4=O)cc3)ccnc2cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHXDJXMQZRAMSL-UHFFFAOYSA-N", "SMILES:COc1cc2c(N(C)C3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMVVPRGHKLCCF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccc(Nc3ccnc4ccccc34)cc2)cc1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOWHBFPQZDGRB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(Nc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETRMLXBWIXLFY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1cccc(Nc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFHKMLGWMKBPX-UHFFFAOYSA-N", "SMILES:CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC(CCN)C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYTLARZOLKJSJU-JTHBVZDNSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CCCC(=O)Nc2ccc([C@@H]3C[C@H]3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWRBIGNTVLPSMJ-UHFFFAOYSA-N", "SMILES:CCNC(=O)C1=CC2C(c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)=CN(C)C(=O)C2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNOBEWSTIRPLG-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc(NC2CCN(Cc3ccccc3)CC2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBILOWJIUUDWEC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCC(=O)NO)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPWWFNXRLAAREN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1389713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYDOFUEQCRNJY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1506301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSPTYRCHRWVWPV-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOBZWMXSJGUWMM-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBQDLDUQJHNTK-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc(S(C)(=O)=O)c4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBBSLRFTGZHAMO-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4F)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDXECRXKMKGOA-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccc([N+](=O)[O-])cc4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQBWLURZKFSBL-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccc(S(C)(=O)=O)cc4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWNEICKDPTLAF-UHFFFAOYSA-N", "SMILES:CCC(=O)Oc1ccc(CS(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJEGYPCABVNRAB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUHPMBMGAGMFE-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2ccc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)cc2)nc2ccc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUBJKOIRJMCTPX-UHFFFAOYSA-N", "SMILES:CCCCn1c(-c2ccc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)cc2)nc2ccc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBDJRIWHDOPRIC-UHFFFAOYSA-N", "SMILES:CCCCCn1c(-c2ccc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)cc2)nc2ccc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZTYLAGANWPMW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3C(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDPSBKNKOCKWAZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3CC(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCFBWGATJJCTG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3CCC(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADQVLCQLDGDGX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3C3CCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPUXODKZRBDMM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3CC3CCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPAISHPUJHJZGF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3CC3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKGAFJOPITKIG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHKYWBJQDUVIE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLHFYIJSPFFLR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3CCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCZEYBQXBWOOY-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3CCc3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPRUALXJOEVNF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3C(C)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPRUALXJOEVNF-XMMPIXPASA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3[C@H](C)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPRUALXJOEVNF-DEOSSOPVSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3[C@@H](C)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLDFFOWMOCUYFK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTUJQTYLSYBGM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3cccc(F)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDNFUDLJMXZJF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3ccccc3F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNGXFKOCHDWIE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3CCc3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQZOMJJYYGRRTF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3c(F)cccc3F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPUONXQHNFISE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3ccc(C(F)(F)F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBHGXBGWSZGYCE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3ccc(S(C)(=O)=O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAOWVQAEWXXGEN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3ccc(C(=O)OC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPVFZWAJAHCDLP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3ccncc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXVVBIQHKMATI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXAJMUPDYJMSF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3ccccn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTUUQCVWRBGMH-JOCHJYFZSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C(F)(F)F)cc4n3[C@H](C)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKUQSDKRDMYLTB-HSZRJFAPSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(OC)cc4n3[C@H](C)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITFSNPMLOSGRTC-RUZDIDTESA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C(=O)NC(C)C)cc4n3[C@H](C)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRMXSYBTLYHBF-XMMPIXPASA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4cc(C)ccc4n3[C@H](C)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUEZJNPFZLJTLU-RUZDIDTESA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4cc(C(=O)NC(C)C)ccc4n3[C@H](C)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMTUCCYXWPTAN-HXUWFJFHSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C(F)(F)F)cc4n3[C@H](C)c3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMTUCCYXWPTAN-FQEVSTJZSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C(F)(F)F)cc4n3[C@@H](C)c3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAZSLNZNDFSEBL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4n3Cc3ccc(C(=O)O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZMDERNCAHNEZ-HSZRJFAPSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4cc(OC)ccc4n3[C@H](C)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJQKDBQLWSCFQQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLRLNBSHFXCAKN-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPMSTILXVGQLT-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNRRYVSHMVZJC-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccc(F)cc4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZCQBFRWPMBHEY-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccc(C(F)(F)F)cc4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMCRPKUUDIXARV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKIOAIJGQJRQSG-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccc(C(=O)O)cc4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQXXCIWPQCPCOV-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4cccc([N+](=O)[O-])c4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONDNGZZGPUSYHV-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccccc4[N+](=O)[O-])cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTCQWHNDDPQHLR-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(CS(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDNQUTVDLFAROQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4[N+](=O)[O-])cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTJAHKXIOWCYMK-UHFFFAOYSA-N", "SMILES:CC1=C(NC(=O)OC(C)c2ccccc2Cl)C(c2ccc(CSCCC(=O)O)cc2)ON1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQRMJSKKJLJSV-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(-c3ccc(CC(=O)O)c4c3CCC4)cc2)c1NC(=O)OC(C)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWKAPGHOCMHUHF-UHFFFAOYSA-M", "SMILES:CC(OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)oc2cnccc12)c1ccccc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSYCPSJYLTWHY-UHFFFAOYSA-M", "SMILES:CC(OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)oc2cnccc12)c1ccccc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTJSGOVQEXDBFJ-UHFFFAOYSA-N", "SMILES:Cc1c(COC(C)(C)C(=O)NCc2ccc(C(=O)O)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSCGGYEUWOGTN-UHFFFAOYSA-N", "SMILES:Cc1c(COC(C)(C)C(=O)NCc2ccc(C(=O)O)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKTHTEMISGYELR-UHFFFAOYSA-N", "SMILES:Cc1c(COC(C)(C)C(=O)NCc2ccc(C(=O)O)cc2)nn(-c2ccccc2Cl)c1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFJIQGXTLUSSN-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(-c3ccccc3CC(=O)O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGFGIQUXZJXHPN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)N(CCCc2ccccc2)Cc2ccc(Oc3ccccc3C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSPRLPKCUVCGD-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(Oc3ccccc3C(=O)O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYVIBSODHJMENW-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFHEMMGQAFASO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC2(C(=O)O)CCCCCC2)cc1OCCc1cc(Cl)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQCXVXBEIILIGJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC2(C(=O)O)CCCCCC2)cc1OCCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQPWJEOVQHMWKE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC2(C(=O)O)CCC(C)C2)cc1OCCc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLLZFZGVFQLPRF-UHFFFAOYSA-N", "SMILES:CCC1CC1(NC(=O)c1ccc(OC)c(OCCc2cccc(C)c2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOIPPUGPWFDRH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC2(C(=O)O)CC3CCC(C3)C2)cc1OCCc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSIZKMVNFSTJAG-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2[nH]1)C1CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKLDCFFHHFOJQG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2CC2C(=O)Nc2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUYWNWMJKMVZLQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(Cl)ccc2[nH]1)C1CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVCJDUADZGAFE-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2[nH]1)C1CC1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWLLGFWJIGDNEX-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)C1CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWZQOYGKXFONA-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCCCC2c2cc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBJDKJUIPOILKD-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCCCC2c2cc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOMLCGNFQKYCS-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2C(C)CCCC2c2cc3cc(F)ccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRMYHYZQUGJBBX-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3noc4ccc(C)cc34)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUWAAUICLJGIO-UHFFFAOYSA-N", "SMILES:CCN1CCCc2ccc(-n3cc(C(=O)N4CCCCC4)c4cc(OC)c(OC)cc4c3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCAYXGIBSSISIU-UHFFFAOYSA-N", "SMILES:O=C1CC(O)(C(F)(F)F)c2c(-c3ccc(F)cc3)n[nH]c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNEISNLAIZZLPC-UHFFFAOYSA-N", "SMILES:O=C1CC(O)(C(F)(F)F)c2c(-c3ccccc3)n[nH]c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVVSZOFHILKQG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3c2C(O)(C(F)(F)F)CC(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYHYBPOQGQZFPK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2n[nH]c3c2C(O)(C(F)(F)F)CC(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UICIXGDWQOTQSQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2n[nH]c3c2C(O)(C(F)(F)F)CC(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRCYJYGFWZVIO-UHFFFAOYSA-N", "SMILES:O=C1CC(O)(C(F)(F)F)c2c(-c3cccc(Br)c3)n[nH]c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFWTSMYXIRNGM-UHFFFAOYSA-N", "SMILES:O=C1CC(O)(C(F)(F)F)c2c(-c3cccc(Cl)c3)n[nH]c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZXUVFZHMDAWBF-UHFFFAOYSA-N", "SMILES:O=C1CC(O)(C(F)(F)F)c2c(-c3cccc(C(F)(F)F)c3)n[nH]c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZBTHPCNXLONC-UHFFFAOYSA-N", "SMILES:O=C1CC(O)(C(F)(F)F)c2c(-c3cccc(F)c3)n[nH]c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXKBOJLHWKSAB-UHFFFAOYSA-N", "SMILES:O=C1CC(O)(C(F)(F)F)c2c(-c3ccncc3)n[nH]c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNWMCWWMWUTIC-UHFFFAOYSA-N", "SMILES:O=C1CC(O)(C(F)(F)F)c2c(-c3cccs3)n[nH]c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJETVAIEYJRBSO-OQIGUVFWSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)/C=C/c1ccc(-c2[nH]c(-c3ccc(C4=NNC(C=O)C4)cc3)nc2-c2ccc(/C=C/C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL293171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIRGTBAIRYUVNA-CRYYDKFDSA-N", "SMILES:CCCCCCCCCCCCCCCCNC(=O)/C=C/c1ccc(-c2[nH]cnc2-c2ccc(/C=C/C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MROHAMKWAMGONL-UHFFFAOYSA-N", "SMILES:O=C1Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2NC1CSCc1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUOCLWXSVGOEMV-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCN(c5ccccc5)CC4)c(=O)c3c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBUSKUPVTSOYFO-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(N(C)C)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXEWRJXHTCGJOS-PDGQHHTCSA-N", "SMILES:COC(=O)c1ccc(-c2ccc(/C=C3\\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBKVEGSZDNHKMF-UYRXBGFRSA-N", "SMILES:CN1CCN(c2ccc(/C=C3\\Sc4ccccc4C3=O)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRNDRQMDRJTHS-ZTVVOAFPSA-N", "SMILES:CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHHYYVUXHLZAE-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)NC(=O)C(CCCc2ccccc2C)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBOJXWZMNGLBR-UHFFFAOYSA-N", "SMILES:NOC(=O)c1ccc(CCCC2Nc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc3NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCAVDWUYRBVRMN-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGOETARURNCLO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(=O)[nH]c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOTLLBZQWTZLMG-UHFFFAOYSA-N", "SMILES:CCN1CCN(CC(C)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNPHOKNHMDZBP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCNC(=O)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFFNTKRAYWFRN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(C(F)(F)F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPSRXVKAZLDJU-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nnn[nH]2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1893959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFEHQZVNKOESSZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1nsc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRSWUJIPYUCSE-UHFFFAOYSA-N", "SMILES:O=C(O)c1sc2cc(F)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKDCZRPLWJEKA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cc(F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL458768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXHOHRQXZMSQN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(C)=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTTFSAIGPOQECY-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1csc(SCc2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPRAIXAZRGXPX-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)n2ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRWTROIQXSSOC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(F)(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAJMCQXRRMHIEJ-UHFFFAOYSA-N", "SMILES:OCCCc1c[nH]nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROIKYRUNAMGSHG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(C(F)(F)F)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1413378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHEWNYMTGPOCOP-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2ccc(O)cc2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFUNLUNLLGMENW-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CCN(c2ccccc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHUNNXCUJKOGMN-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRALBVYDVDYCR-UHFFFAOYSA-N", "SMILES:N=c1c(C(=O)NCCc2cn3c(n2)SCC3)cnc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNNBHXVPIDOHO-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1c(O)nc2sccn2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOSQVXAOZEUEU-JMIUGGIZSA-N", "SMILES:O=c1oc2ccccc2cc1-c1csc(N/N=C\\c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMUZWLSKYJUNU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1ccc(-c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJFFTWZYDZAEE-UHFFFAOYSA-N", "SMILES:CC1CN(Cc2cc(=O)oc3cc(OCc4cn(Cc5ccc(Cl)cc5Cl)nn4)ccc23)CC(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYAGHZRILCINGS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(Cc2cc(=O)oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODJNKXTWIBLBDO-UHFFFAOYSA-N", "SMILES:Oc1cccc(-n2cc(COc3ccc(-c4nc5cc(Cl)ccc5n4Cc4ccccc4)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUEFBVLIQUYVBU-RPPGKUMJSA-N", "SMILES:COc1ccc2c(c1)c(C/C=C(/O)c1cc3ccccc3oc1=O)cn2Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMUZSBYIGPMFP-UHFFFAOYSA-N", "SMILES:CSC1=NNC2NN=C(C)C2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQVUFZFFQPOLX-SNVBAGLBSA-N", "SMILES:CCOc1ccc(S(=O)(=O)N[C@H](C)CO)cc1-c1nnc2c(n1)c(C)nn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMGWKYXVMQQCM-CQSZACIVSA-N", "SMILES:CCOc1ccc(S(=O)(=O)N[C@@H](CO)CC(C)C)cc1-c1nnc2c(n1)c(C)nn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYNPGHQGVEEBW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)NCCN)cc1-c1nnc2c(n1)c(C)nn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPMTTQVGLMJNR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1n[nH]c2c(C(=O)OCC)cnn2c1=O.[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOGDGFNFSDJNGQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn2c(=O)c(C(=O)NC(C)(C)C)n[nH]c12.[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSIKYQYUYPXBQS-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(=O)c([N+](=O)[O-])n[nH]c12.[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNDNHZLQBLVBCO-UHFFFAOYSA-N", "SMILES:N/C(=N\\O)c1cnn2c(=O)c([N+](=O)[O-])n[nH]c12.[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWGBLIPFJYEANF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn2c(=O)c([N+](=O)[O-])n[nH]c12.[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWBTOWJISWVSU-UHFFFAOYSA-N", "SMILES:CCSc1nc(-c2ccc(C)cc2)n2nc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDWRPTOUDPFXKK-UHFFFAOYSA-N", "SMILES:COCC(COC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUMETSDHCBPMP-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1c(CC)nn2c(-c3ccc(Cl)cc3Cl)nc(C)nc12"]}
{"name": "Corticoliberin", "xref": ["CHEMBL.TARGET:CHEMBL5291540"], "id": "UniProtKB:P01143", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHHRLNDURYZEA-UHFFFAOYSA-N", "SMILES:CCCC(COC)c1c(CC)nn2c(-c3ccc(Cl)cc3Cl)nc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INODOJWMUKLIET-UHFFFAOYSA-N", "SMILES:CCCC(COC)c1c(CC)nn2c(-c3cc(OC)c(OC)cc3Cl)nc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQGLEQONXIJCH-UHFFFAOYSA-N", "SMILES:CCCC(C)c1c(CC)nn2c(-c3cc(OC)c(OC)cc3Cl)nc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXBPFMXEGNPUCD-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1c(CC)nn2c(-c3cc(OC)c(OC)cc3Cl)nc(C)nc12"]}
{"name": "Corticoliberin", "xref": ["CHEMBL.TARGET:CHEMBL5291554"], "id": "UniProtKB:P06850", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARUIXIORASZCAF-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(F)cc2)n2nc(-c3ccccc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICDHIIRVNIUEM-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc(N)nc2cc(-c3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSIJUPUWACMKBX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)nc3cc(-c4ccccc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJBOQXBZKRPLV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn2c(-c3ccc(Cl)cc3)nc(NCc3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHMWJKANNMHUAS-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)c1cnn2c(-c3ccc(Cl)cc3)nc(NCCc3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSYLJROTVZWRR-UHFFFAOYSA-N", "SMILES:CCc1cnc(N2CCC(C(C)COC(=O)N3CCc4cc(S(C)(=O)=O)ccc43)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZCMKTNTDCJBSS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)Nc2ccc3c(c2)COC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNZDBCPMOOEFTE-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc21"]}
{"name": "Glutamate racemase", "xref": ["CHEMBL.TARGET:CHEMBL5185"], "id": "UniProtKB:Q9ZLT0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:85963"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFJFLGFKZVSNPA-UHFFFAOYSA-N", "SMILES:Cn1cc(C#N)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12"]}
{"name": "Aminodeoxyfutalosine nucleosidase", "xref": ["CHEMBL.TARGET:CHEMBL5291527"], "id": "UniProtKB:Q9ZMY2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:85963"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQSDNLCIHWEMD-NEPJUHHUSA-N", "SMILES:CCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJWTLYUDABXFG-CABCVRRESA-N", "SMILES:CCCCCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWKCFFYUTGURHW-IIZANFQQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEOLARQITDISIM-CPNYHKOASA-N", "SMILES:C=C(C)O[C@@H]1C(C)=C[C@@H]2[C@H](C(=C)C)CC[C@@H](C)[C@]2(O)[C@H]1OC(=O)[C@H](CC(=O)c1ccccc1NC)NC=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGRIGHVWONWGX-WJVKJDHCSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCCNC(=S)CNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1)NC(=O)OCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBNJIFCVDFAFI-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(c1C(=O)N(C)Cc1cccc(-c3ccc(C(F)(F)F)cc3)c1)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRMAMGPOTGDYKJ-NDEPHWFRSA-N", "SMILES:CN(C)c1ccnc(CN[C@@H](CS(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNVZXACYOKUJNW-LJAQVGFWSA-N", "SMILES:COC(=O)[C@H](CS(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cc(N(C)C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIENGOPJSIAKHL-UHFFFAOYSA-N", "SMILES:CN(C)c1ccnc(CNCCS(c2ccccc2)(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSAOWQDRMYYMDT-QGMBQPNBSA-N", "SMILES:C=CCNC(=S)N/N=C/c1ccc(OC)c(Cn2cc([N+](=O)[O-])cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQGLLUJIVNREL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCUJNFERKWPKY-JCVDRHSJSA-N", "SMILES:CCC(C)(C)c1ccc(OCC(O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(C(C)(C)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJUPNPDGYKEWIL-SHXCFHCCSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)CCOCCOCNc1cccc2c1C(=O)N(C1CCC(=O)NC1)C2=O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWEQEUAEPGHNCQ-PQRLSZSZSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCNc1cccc2c1C(=O)N(C1CCC(=O)NC1)C2=O)C(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPHRYTDSZLSLKK-SDHOMARFSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPHRYTDSZLSLKK-DSITVLBTSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKNCUAKAKYMOH-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLXYPXFQSIASL-LGJNPRDNSA-N", "SMILES:CCOC(=O)c1c(/C=N/OCc2cn(CC(=O)c3ccc(OC)cc3)nn2)c2ccccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYVCSJINZARCLP-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(S(=O)(=O)Cc3ccc(OC(C)=O)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFGIODVJUMSGW-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(-c2ccc(C(=O)O)cc2)o1)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUVUTHXZGHZOG-HNNXBMFYSA-N", "SMILES:CC(=O)N1c2nc(C)cc(=O)n2[C@H](c2ccc(Br)cc2)N1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTWTEGWMSGEOH-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(Cc2ccc(F)cc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1371684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEZPRMPVJMVCBV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nc(O)c3c(n2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSTKDZZBDIWEKD-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTKFPAEMFZRRR-LFIBNONCSA-N", "SMILES:CN(C)c1ccc(-c2nc(C(=O)NCc3ccc(/C=C/C(=O)NO)cc3)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORQXIOXXLTUNV-UHFFFAOYSA-M", "SMILES:COc1ccc2c3cc[n+](CCCc4ccccc4)c(C)c3n(Cc3cccc(Cl)c3)c2c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEDWPRHZUZXDX-UHFFFAOYSA-M", "SMILES:Cc1c2c(cc[n+]1Cc1ccccc1)c1ccc(OCc3ccc(F)cc3)cc1n2CCCc1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGWBVGJOVYUQAZ-UHFFFAOYSA-M", "SMILES:CCCCn1c2cc(OCc3ccc(F)cc3)ccc2c2cc[n+](Cc3ccccc3)c(C)c21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2164716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEZZOMVRRQGVSJ-UHFFFAOYSA-M", "SMILES:Cc1c2c(cc[n+]1Cc1ccccc1)c1ccc(OCc3ccccc3)cc1n2Cc1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSSSWFXURDKPDS-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc(Br)cc1)c1cc2c([nH]c3ccccc32)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LITMQDLUIVKXHL-UHFFFAOYSA-N", "SMILES:CSc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3cccc(O)c3)n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYOWXDJOGQSKU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(-c3cc4c([nH]c5ccccc54)c(-c4cccc(O)c4)n3)n[nH]c2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SATMZMMKDDTOSQ-UHFFFAOYSA-N", "SMILES:Cc1nccc2c1[nH]c1cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZLQGKERRRDDI-UHFFFAOYSA-N", "SMILES:O=C(NCCn1c2ccccc2c2ccncc21)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVRROIQNCZQNE-UHFFFAOYSA-N", "SMILES:COc1cc(CC2C(=O)Nc3ccccc32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFQMAWAQIXIGS-RQZCQDPDSA-N", "SMILES:COc1cc(/C=N/NC(=O)c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXCHSVGJEOPMHT-VCHYOVAHSA-N", "SMILES:CCOc1cc(/C=N/NC(=O)c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASWCDNCVFOTPMT-VRECAULFSA-N", "SMILES:OC[C@H]1O[C@H](Oc2cc(CCc3ccc(O)cc3O)cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDIXPTUQXZNANI-OBKDMQGPSA-N", "SMILES:OC[C@H]1O[C@H](Oc2cc(O)cc(CCc3ccc(O)cc3O)c2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMWDFXXLNKBOL-UHFFFAOYSA-N", "SMILES:O=C(COC(=O)c1ccc(O)cc1O)Oc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRLKDOHGYMDYKD-LBHABTCRSA-N", "SMILES:COc1cc([N+](=O)[O-])ccc1/C=C/C(=N\\O)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFJFEYAKDAKSFT-GQCTYLIASA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFHWDSEGUCJOP-GQCTYLIASA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPAFEATGBAQTG-IBGZPJMESA-N", "SMILES:O=C(OCc1cc(=O)c(O)c[nH]1)[C@H](Cc1ccccc1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJOCWYJFYFOBLR-CRYYDKFDSA-N", "SMILES:CCOC(OCC)c1ccc(/C=C2\\CCC/C(=C\\c3ccc(C(OCC)OCC)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSBOWGBLGUITB-QGOAFFKASA-N", "SMILES:CCOC(OCC)c1ccc(/C=C2\\Cc3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDEHDMRZWMNMPY-LFIBNONCSA-N", "SMILES:CCOC(OCC)c1ccc(/C=C/C(=O)C2CCc3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVDGTKNDDFJOO-QPJJXVBHSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFDEWHOBOGXDP-MKICQXMISA-N", "SMILES:COc1cc(/C=C/C(=O)c2cc(OC)c(OC)c(-c3cc(C(=O)/C=C/c4ccc(O)c(OC)c4)cc(OC)c3OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZKFWWTACVVQA-UHFFFAOYSA-N", "SMILES:COc1cccc2c1c(C(=O)C(=O)Nc1cc[nH]n1)cn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMPGPVVPZWRIJS-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1321926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFYOOKCQNYULO-SNAWJCMRSA-N", "SMILES:O=C(/C=C/c1cccc(Cl)c1)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKRGHISYFKGFJ-VQHVLOKHSA-N", "SMILES:Cc1ccc(C(C)C)cc1NC(=O)COC(=O)/C=C/c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHUVAJYJQUAFW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1NC(=O)COC(=O)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2271256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPISKMSORQJRU-RMKNXTFCSA-N", "SMILES:CCCCOC(=O)/C=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDCBIHJEGDMDO-BJMVGYQFSA-N", "SMILES:N/C(S)=N/N=C/c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNTKURSKMLATKI-XBXARRHUSA-N", "SMILES:NC(=S)N/N=C/c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAWCZAPTKZJEO-FRKPEAEDSA-N", "SMILES:NC(=S)N/N=C/c1cc(COC(=O)c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUNMJIBTIDLVBX-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nnc(NC(=S)Nc2cccc(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZZVCVQOGZULAC-AATRIKPKSA-N", "SMILES:O=C(/C=C/c1cc(=O)c(O)c[nH]1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPBOHENFTINKRH-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Oc1c(oc(CCl)cc1=O)C2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMXUOKAWLAUXMW-WTYNHFEKSA-N", "SMILES:COc1ccccc1/C=C/C=N/Nc1nnc(SCc2cc(=O)c(O)co2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXXABNHNGQEDE-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccccc2O)N1c1ccc(-c2ccc(N3C(=O)CSC3c3ccccc3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNYTBNESTVVBR-UHFFFAOYSA-N", "SMILES:OCC1CSC(c2ccc(O)cc2O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPUDTBKEMHLRG-YRNVUSSQSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(Br)c2)CSc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSKDQHKOFZQRSS-AUWJEWJLSA-N", "SMILES:O=C1N=C(Nc2nc3ccccc3s2)S/C1=C\\c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPYCSDVOXOZSX-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cn(Cc3ccc(F)cc3)nn2)c(C=C2C(=O)NC(=S)NC2=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYLBVGFDKBWPM-ZDLGFXPLSA-N", "SMILES:Oc1ccc(/C=N\\n2c(Cc3ccccc3F)n[nH]c2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCGXEMYVAGPBN-WZUFQYTHSA-N", "SMILES:Nn1c(S)nnc1N/N=C\\c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFFGLYTLUYFCS-UHFFFAOYSA-N", "SMILES:O=P(O)(c1ccccc1)C(NCc1ccccc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZRBCHGVPLQUAV-FMQUCBEESA-N", "SMILES:CC(=O)Nc1ccc(/N=N/c2c(N)nc(N)nc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCHDGHSXTIOUNK-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(COc3ccc(-c4nc5ccccc5[nH]4)cc3)nn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMLRUQZDVOCKFS-UHFFFAOYSA-N", "SMILES:CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4[nH]3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGHHYRNJZZWBPN-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3cc4ccccc4oc3=O)=NN2c2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZALJMXKXKJMOAI-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2Br)=NC(=S)C1c1nn[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOYZCLZCIGWSI-UXBLZVDNSA-N", "SMILES:Cc1ccc(NC(=O)CCCN2CCN(C/C=C/c3ccccc3)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPOAQXLHGDPVCX-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTWAOWZGDZSWKK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1CCCCCc1ccccc1C(=O)O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYBUMYUUSTWPI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1CCCCCc1ccccc1NC(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBOWEPSZWLORJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccccc2CCCCCc2ccccc2C(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZMFFHHDJGNAC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccccc1CCCCCc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDERITVFZCCXDS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccccc2CCCCCc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXXBNFCDPUGHLG-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Nc2ccccc2CCCCCc2ccccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQSHPKLJKAVCA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1CCCCCc1ccccc1C(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFHKLKIAGOBMP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1CCCCCc1ccccc1C(=O)O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAESGUYRDQEZKP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1CCCCCc1ccccc1C(=O)O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWBHJUKDWBYGB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1CCCCCc1ccccc1NC(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLQVRMARRVQRB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CCc2ccccc2NS(=O)(=O)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRJJAZGDUDVEJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJDKGBXWFSTOF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQKXSRIGMFYJTR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CCc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURBQMKHTYQXRH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CCc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCMYXWYGZLAKGE-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1CCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXPFUNMYZKEQML-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2CCc2cccc(C(=O)O)c2)c(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLHIYMOKDOEGI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CCc2ccccc2NS(=O)(=O)c2cc(Cl)ccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEVQPTXBRSZBX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ncc(C#Cc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMDHXIWGQZLULW-FOCLMDBBSA-N", "SMILES:O=C(O)c1cccc(/C=C/c2ccccc2NS(=O)(=O)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPPBWAHLQLUQV-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2ccc(C(=O)O)nn2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSXPKHMTZGKCRO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2cccc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLXPQSQGBRBFW-UHFFFAOYSA-N", "SMILES:Cc1ccc2cccc(S(=O)(=O)Nc3ccccc3C#Cc3ccc(C(=O)O)nc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECOLGNBXMBLOX-UHFFFAOYSA-N", "SMILES:Cc1cnc2c(S(=O)(=O)Nc3ccccc3C#Cc3ccc(C(=O)O)nc3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEYTVFBKDMLYPC-UHFFFAOYSA-N", "SMILES:Cc1ccnc2c(S(=O)(=O)Nc3ccccc3C#Cc3ccc(C(=O)O)nc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULPQIJVOHOJQSR-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2ccc(C(=O)O)nc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRAPHVFURUQSM-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)Nc2ccccc2C#Cc2ccc(C(=O)O)nc2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZNLHBUIPSPALM-UHFFFAOYSA-N", "SMILES:Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccccc1C#Cc1ccc(C(=O)O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTMYIDQABONCOX-UHFFFAOYSA-N", "SMILES:Cc1cc(C#Cc2ccccc2NS(=O)(=O)c2c(C)ccc3cccnc23)cnc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKBULVNTEXLKJY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2ccc(C(=O)O)nc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBFZSSVCJZBCFQ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2cnc(C(=O)O)c(C)c2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGUSMMUTIWZXMZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2ccc(C(=O)O)nc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQKPAGMWRUXEO-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2cnc(C(=O)O)cc2OC)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMEZMLGRPLAVMT-UHFFFAOYSA-N", "SMILES:CCOc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2cnc(C(=O)O)c(NC)c2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIRMSZGRAZQGL-OUKQBFOZSA-N", "SMILES:O=C(O)c1cccc(/C=C/c2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIRMSZGRAZQGL-SEYXRHQNSA-N", "SMILES:O=C(O)c1cccc(/C=C\\c2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBXFDJJMCHKMS-FMIVXFBMSA-N", "SMILES:O=C(O)c1ccc(/C=C/c2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDLIIFRLEDXCGM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKHSCWIYHWGTN-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)Nc2ccccc2C#Cc2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHVDZDZKPUXNT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGEZOSSQJLHFCS-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2ccc(C(=O)O)cc2)c(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHVUNZXZACCSL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBVTUIVRKYLAAI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBMYBYEPYEYRA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2cccc3ccccc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUOVBBVTQPSPNK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKXQSYPFLBHKR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(C#Cc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJWBDLFEWDIUBE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2cccc3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKJONVACKPOLN-UHFFFAOYSA-N", "SMILES:CNc1cc(C#Cc2ccccc2NS(=O)(=O)c2c(C)ccc3cccnc23)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENPFOQPGOROOE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2ccc(C(=O)O)cc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDVMKOBLDPLMIC-UHFFFAOYSA-N", "SMILES:Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccccc1C#Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODXWCBSIYAETBX-UHFFFAOYSA-N", "SMILES:COc1cc(C#Cc2ccccc2NS(=O)(=O)c2c(C)ccc3cccnc23)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUDDUZPKZJWUSI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFODRSMKIRDWTA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(C#Cc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCHIJSFYXRGTDY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cncc(C#Cc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADOAZAGNBAPKFM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C#Cc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSUROXSJLJLHE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOIGALEDXGANT-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2cnc(C(=O)O)nc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIHHNNSHYUDRFL-VAWYXSNFSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2/C=C/c2cccc(C(=O)O)c2)c(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGZNUGKGEWEOSK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2cccc3c(OCCOCCOc4ccccc4)ccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHFQCUMEJSHLU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2cccc3c(OCCOCCOCCOCCCCCCOCc4ccccc4)ccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHUORIODERFPNB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2cccc3c(OCCOCCOc4ccc([N+](=O)[O-])cc4)ccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSMFHUZSPSQRDI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCOCCOCCOCCOc1ccnc2c(S(=O)(=O)Nc3ccccc3C#Cc3ccc(C(=O)O)nc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTKUBQOJOGREB-UHFFFAOYSA-N", "SMILES:CC1(CCCCCC(=O)NCCOCCOCCOCCOc2ccnc3c(S(=O)(=O)Nc4ccccc4C#Cc4ccc(C(=O)O)nc4)cccc23)C(/C=C/C=C/C=C2\\N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLDAYMJHWIWAKL-UHFFFAOYSA-N", "SMILES:NCCOCCOCCOCCOc1ccnc2c(S(=O)(=O)Nc3ccccc3C#Cc3ccc(C(=O)O)nc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIVOJWVBJIOFM-ZDUSSCGKSA-N", "SMILES:Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYIIJVXJVEICJ-CZUNFGTBSA-N", "SMILES:C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CNCCCCCCCCCCCc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)c4ccc(Cl)cc4)CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAPQGBETYKLBT-BKPPXGSPSA-N", "SMILES:CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ccc1C(=O)N[C@H]1CC[C@H](C(=O)NCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOVIPGAKWXDEFW-XJXVQSSDSA-O", "SMILES:CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)c3ccccc3C2(C)C)=[N+](CCCCCNC(=O)CCCCCNC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)CS)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOSSKVSDDUZIM-CZLSFGLKSA-N", "SMILES:CC(C)(C)[Si](F)(c1ccc(C(=O)NCC(NC(=O)CC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITXNYWRJDUEJAQ-IPKWDALCSA-N", "SMILES:CC(C)(C)[Si](F)(c1ccc(C(=O)NC[C@@H](NC(=O)CC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)O[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQOAFLDKQLGMR-RKGVGXALSA-N", "SMILES:CC(C)(C)[Si](F)(c1ccc(C(=O)NC[C@@H](NC(=O)CC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](Cc2nnn[nH]2)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYXQTHAJOXEMM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(-c3cn(C)c4ccccc34)c(C(=O)c3ccc(C#N)cc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222021", "category": ["biolink:ChemicalEntity"], "name": "PROTOCATECHUALDEHYDE", "xref": ["InChIKey:IBGBGRVKPALMCQ-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCCUYSXAYTNKA-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2315728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZQIYUQUEBWNTO-YBEGLDIGSA-N", "SMILES:O=C1N/C(=N\\c2nc(-c3ccccc3)cs2)S/C1=C\\c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1470309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOXWGKZWIWPDU-UHFFFAOYSA-N", "SMILES:O=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCBYJNQEZBSRJO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMFCMQBRXSYGF-ZHACJKMWSA-N", "SMILES:COc1cc(/C=C/C(=O)c2sc(NC(=O)c3ccccc3)nc2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMYWNZOSHEDCN-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWGZRKOIYICETM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2C(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGKLGEAOVKHAOQ-UHFFFAOYSA-N", "SMILES:O=C(c1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWGQDALLVYMSDI-DQSJHHFOSA-N", "SMILES:O=C(/N=C1\\SC=C(c2ccc([N+](=O)[O-])cc2)C1c1ccccc1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHULJLLNFWPBMG-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCN(c3ccccc3)CC2)nc2ccc(Cl)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZARHELIPHKHED-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)c(OC)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKQDVLRBURTIIP-BWAHOGKJSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(-c2nc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMODWGAYNUFILH-UVTDQMKNSA-N", "SMILES:COc1cccc(/C=c2\\c(=O)[nH]n3c(=O)c4ccccc4nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIRCDVHSWKUPPF-LCYFTJDESA-N", "SMILES:COc1ccc(/C=c2\\c(=O)[nH]n3c(=O)c4ccccc4nc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBHTKBJRAVMMH-JYRVWZFOSA-N", "SMILES:COc1cc(/C=c2\\c(=O)[nH]n3c(=O)c4ccccc4nc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWSPJVBYONZKN-NGOZOIBASA-N", "SMILES:N=C1/C(=N\\Nc2ccc(S(N)(=O)=O)cc2)C(N)=NN1c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJGLATBDKKFBJO-YTJNXYAPSA-N", "SMILES:N=C1/C(=N\\Nc2ccc(S(N)(=O)=O)cc2)C(N)=NN1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELSPHYYOJNMBS-HMMYKYKNSA-N", "SMILES:CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=N/Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5198267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCLPUISTRXRNN-HMMYKYKNSA-N", "SMILES:CC1=NN(c2ccccc2C(=O)O)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUPLHQVECFWOTQ-HMMYKYKNSA-N", "SMILES:CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXDOWJBSORIEFU-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2ccc(-n3cc(CNC(=O)C(=O)c4c[nH]c5ccccc45)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSBRJXFEZDIJFL-DQKDLSKVSA-N", "SMILES:CC(=O)OC[C@@H]1O[C@@H](n2cc(CNC(=O)C(=O)c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHAATUXFFKSHOQ-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)c1ccc(-c2nc(CSc3nc4ccccc4s3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFGYCFHPNSZFJR-CIAFOILYSA-N", "SMILES:O=C(NC1CCCCC1)c1cc(/N=C/c2cc(O)ccc2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPQHYRJQNJFCP-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL122397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFNPKZBKWKGSLK-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPIGFMSQYZOOBU-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1cc(NCc2cc(O)ccc2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDXNAXNSFWHSCK-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cc(N)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIIYOYPOMGIECX-MGPQQGTHSA-N", "SMILES:C=C1CC[C@@H]2[C@H](CC2(C)C)C(=C)CC[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL498917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWZXOMQXYWKBS-NSCUHMNNSA-N", "SMILES:COc1cc(O)cc(/C=C/c2ccc(O)cc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL83527", "category": ["biolink:ChemicalEntity"], "name": "PTEROSTILBENE", "xref": ["InChIKey:VLEUZFDZJKSGMX-ONEGZZNKSA-N", "SMILES:COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1"], "synonym": ["4-(3,5-dimethoxystyryl)phenol", "Pterostilbene", "Pterostilbene, (e)-", "Trans-pterostilbene", "Pterostilbene component of eh-301"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHULDSMZUNDRJY-FOWTUZBSSA-N", "SMILES:CC1=CCCC2C1(C)CCC(C)C2(C)CC/C(=C\\C(=O)O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSIVSEZZEFZSDB-UHFFFAOYSA-N", "SMILES:C=C1CCCC2C1(C)CCC(C)C2(C)CCC1=CC(=O)OC1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5284118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSCWEDTMWAASP-UHFFFAOYSA-N", "SMILES:CC1=CCCC2C1(C)CCC(C)C2(C)CCC1=CC(=O)OC1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIQMMRUUKMPEX-UHFFFAOYSA-N", "SMILES:C=C1C(O)CCC2C1(C)CCC(C)C2(C)CCC1=CC(=O)OC1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCKNDBYCFZPBU-OZRCOERDSA-N", "SMILES:CCC[C@H](O)CCOC(=O)CC[C@]1(C)C=CC[C@@H](C)[C@@]12C=CC(C)(CC)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMRJIQSYMCXBY-HJUUDFSISA-N", "SMILES:CC[C@H](CO)[C@@](C)(O)C/C=C/C(C)(C)OC(=O)C[C@]1(C)C=CC[C@@H](C)[C@@]12C=CC(C)(CC)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSKGNYAYLMLAJJ-YXPYIKCWSA-N", "SMILES:CCCCC(=O)OCC[C@@H]1CC=C[C@@H]2[C@H]1C(=O)O[C@@]2(C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSQRQXYKYBYQW-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATTKNMWCPOFQHD-IBGZPJMESA-N", "SMILES:CC#CC(=O)N1CC[C@H](N2CN(c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIFQDJYYWVCDK-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CC[C@@H](Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSFCZQSJQXFJDS-PKHIMPSTSA-N", "SMILES:O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(NC3CC[C@@H](CO)OC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOLRZWTVMUHQQU-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2ccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3F)c3c2C(=O)NC3)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJZGMVSVUJSVBF-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)Nc1ncc(NC(=O)c2cc(C)cc(NC(=O)c3cccc(C)c3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVOWSKQMJFOGDZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2ccc(N3C(=O)CCc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOKUBCHAMFYUJW-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNECGPNPZHRUNN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJFQMLXQLHHSCE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Nc4ccc(F)cc4)c4ncn(CC5CC5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMKVEIPNIWUET-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Nc4cccc(F)c4)c4ncn(CC5CC5)c4n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOMIJXUSHSWIRQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Nc4cccc(F)c4)c4ncn(CC5CC5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEEILUQVCOHHRJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Nc4ccccc4)c4ncn(CC5CC5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJUZXJDYDOVFAV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(NC(=O)COc2ccc(Br)cc2NC(=O)c2cc(C)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCBJLVPRJSOOME-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(NC(=O)Cn2cc(C(=O)N3CCc4c(cccc4OC)C3)c3cc(Br)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNBGSXWIUUIPDD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ncnc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQSSXKRUKAMOQS-QFIPXVFZSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXQGAAQXCOWJI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(N2CCN(C(=O)CNc3cc(Cl)c(Cl)cc3O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1729495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQMQVKHNLGEFH-UHFFFAOYSA-N", "SMILES:O=C(NCC1COc2ccccc2O1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSJVAYBCXSURMQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)NNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNPBSITXCGPXJC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUOUOUWQABSOQ-ZSEKCTLFSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)Nc1ccc2[nH]c(Cc3cc4ccccc4[nH]3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRPUBYAAVJTFTF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(S(=O)(=O)c1cccc(-n3cc(COc4ccc5ccccc5c4)nn3)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLMRXKYNFFZDRU-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3cccs3)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPTXQBGBXVYFW-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLSAAUARJRWRX-IBEHDNSVSA-N", "SMILES:CO[C@@H]1O[C@H](Cn2cc(COc3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIRCLGLKRZLKHG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEZQYBCMJYQRAZ-VCHQGTEKSA-N", "SMILES:N#Cc1ccc(CC2Cc3c(cc(Br)c(OCc4ccc(-c5ccccc5)cc4)c3Br)C[C@H]2C(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHRVNKGGHVZHX-VALFACCDSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1Cc2cc(Br)c(OCc3ccc(-c4ccccc4)cc3)c(Br)c2CC1Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROBFCRSYCFKWMV-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNUILOGTNVRGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)N2CC(C(=O)O)Cc3ccccc32)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJRWHAZXYGFMKD-GOSISDBHSA-N", "SMILES:CC(C)CN1C[C@H](c2ccc(Cl)cc2Cl)Oc2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKDEPNXIRFXBV-SANMLTNESA-N", "SMILES:O=C1NSCCOCCCCCCN2C[C@@]3(CCc4cc(Cl)ccc43)COc3ccc1cc32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKFQZABOMMRKM-UHFFFAOYSA-N", "SMILES:CC1CCN(S(=O)(=O)c2ccc(-c3ccno3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095395", "category": ["biolink:ChemicalEntity"], "name": "ONO-AG-367", "xref": ["InChIKey:PRIYCPZIGUYJAL-PRDSGWKNSA-N", "SMILES:O=C(O)CCC[C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](O)COc3cc(F)ccc3F)[C@H](O)C[C@@H]2OC1"], "synonym": ["Ono-ag-367"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPLALYCOYXIBQ-FCHUYYIVSA-N", "SMILES:CC(C)CC(=O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL378376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZXGURJKNAFPT-ZWKOTPCHSA-N", "SMILES:O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBXDLYMOHCJJP-KRWDZBQOSA-N", "SMILES:CCCCCn1c(N2CCC[C@H](C(=O)O)C2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615026", "category": ["biolink:ChemicalEntity"], "name": "ISCHEMIN", "xref": ["InChIKey:UUECJWRVDTUDCB-ISLYRVAYSA-N", "SMILES:Cc1cc(/N=N/c2cc(S(=O)(=O)O)c(C)cc2C)c(N)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTPASBIFTUPRT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCN(CCN)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPRVXBSUHOVMP-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc2c(-c3cc(S(C)(=O)=O)ccc3Oc3ccc(F)cc3F)cn(C)c(=O)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL47360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDEJRLXMWUYMSS-ZHACJKMWSA-N", "SMILES:O=c1[nH]c(/C=C/c2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGIVIZXCYOWBK-CMDGGOBGSA-N", "SMILES:O=c1[nH]c(/C=C/c2cccc(F)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTEHUKGJDLVHIH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1490787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGMYBXXEFAWWSC-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(O)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCKGDPBQJCLLFT-VMPITWQZSA-N", "SMILES:O=c1[nH]c(/C=C/c2cc(Br)ccc2O)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKBGTUWFGKHKQ-JXMROGBWSA-N", "SMILES:O=c1[nH]c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FERQBHWZLMXRBT-CMDGGOBGSA-N", "SMILES:O=c1[nH]c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1868803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUFYSRQLIHEQEJ-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/c2nc(O)c3ccccc3n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKYUTWOOJLTDDY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMPCPXASLJTOX-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cc1ccc2[nH]c(=O)c3ccccc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOMZRAYIBZPJH-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Br)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVXBDWBAVBYTEN-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)OCC)c4cc(Br)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASGUZTVMKFPNHS-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4c(Cl)cccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHYMZJIZXMXCJ-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BITXTSFDCTVZRN-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Cl)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCAMPIXJJOIHBI-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(I)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQNLSAPOWNBJF-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4ccc(F)cc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPELUULXKNWHIH-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4ccc(Cl)cc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYJLDVCNHBIKU-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4ccc(Br)cc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNOQMPQAQHAEQ-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cccc(Cl)c4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJROGPGERUXVSC-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cccc(Br)c4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYGJCFDLVPRGA-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)c(F)cc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFIALJKHHJDTGC-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Cl)c(Cl)cc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCJZZINPXVJGC-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)cc(F)c4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNIDROUAJHVKBT-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHQWCUIFBVRFH-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(CC)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZQUIDRJJKRMS-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C(C)C)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXOXAYKOPQAIOP-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(-c5ccccc5)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQZSONCIIWZCJ-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)cc(C)c4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZXVUBKWQDIHN-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(OC)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRRHZDEYJTGMX-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(NC(C)=O)ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKCGLYRLHPZLY-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4ccc(C(F)(F)F)cc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYBYECRISUJZJE-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cccc(C(F)(F)F)c4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCAKLDMNJRQKW-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYDLYQWGCHBHX-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cccc([N+](=O)[O-])c4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUJKDMQCPZSCEK-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDTUYVUVDEFQE-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVFGZNGTYHTHRY-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2cccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCNMBTPGFYQDPF-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2cccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXHRLFVMGNWSS-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRROEQBTYBDGI-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYLJQQXWEMDPLJ-UHFFFAOYSA-N", "SMILES:CCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHZGJPMVQVMFDY-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPKIDFNJSOPFQW-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSFJFZPMUTWGP-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNNWUCOYQBHKS-UHFFFAOYSA-N", "SMILES:CCCOc1ccccc1-c1ccc(-c2cc(C(=O)O)c3cc([N+](=O)[O-])ccc3n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBVDVJTQVETDX-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAFQWMARXPTHSI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc([N+](=O)[O-])ccc4n3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSWSFCALIUTWFM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3cccc4ccccc34)o2)nc2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCADTFWPABVLV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3)o2)nc2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIXBULKLVGZUNO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3cccc(-c4ccccc4)c3)o2)nc2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTHFCLLKVCBBOL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3ccc(Oc4ccccc4)cc3)o2)nc2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMJJLSXDXWMAQS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3cccc(Oc4ccccc4)c3)o2)nc2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNCENDLAUNLLJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3ccccc3Oc3ccccc3)o2)nc2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNQCVCTWUXGQQ-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(NC(C)C(=O)O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHGICTOJXFKNKP-JOCHJYFZSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(N[C@H](CC)C(=O)O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOJFSQQOQGUZSK-OAHLLOKOSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUIQFWXPCKXSPO-OAHLLOKOSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHAUSHQVPCOIPS-UHFFFAOYSA-N", "SMILES:CC(Nc1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVFUUQONLDOKTI-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Br)cc2)nc2cnccc2c1NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZMTYRUNCOMFJT-JOCHJYFZSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(N[C@H](CC)C(N)=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFNGTZAJKBSAB-UHFFFAOYSA-N", "SMILES:CCCCC(Nc1c(C#N)c(-c2ccc(-c3ccccc3OCC)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSPHLALGJESRU-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(NC(C(N)=O)C3CC3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFDQNAUJUJSGCI-XMMPIXPASA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(N[C@H](CC(C)C)C(N)=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCPDYMDWIXUKDY-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(NC(COC)C(N)=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWAWXNZKKSJVNR-HSZRJFAPSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(N[C@H](CC)C(=O)NCC(F)F)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKDZOOQOYFTAV-XMMPIXPASA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(N[C@H](CC)C(=O)N(C)C)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFDANAQCWQOFC-HSZRJFAPSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(N[C@H](CC)C(=O)NS(C)(=O)=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTAXIHMISZQRAG-RUZDIDTESA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(N[C@H](CC)C(=O)NS(=O)(=O)C3CC3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDLNTFXZFUPQKN-JOCHJYFZSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(N[C@@H]3CCOC3=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLCOUIKFZMXMJS-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(NC(CC)CNS(=O)(=O)C3CC3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCYJBFYLLNYQK-KRWDZBQOSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(C[C@H](C)C(=O)O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIWBVAQAICXQKZ-KRWDZBQOSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(C[C@H](C)C(N)=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHXBNNXUXMTKO-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3c(N)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWRYOGFNKHPCY-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cnccc3cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAFHHPALEOOBTA-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3F)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGCDSGJLYZCOY-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3Cl)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXLIYIPGTOGQOI-JOCHJYFZSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3C)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGMBRCBFNCTSH-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3OC)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POYUBVCDGLUCIQ-XMMPIXPASA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3C(C)C)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEAZDZJZCAHIQA-JOCHJYFZSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3N(C)C)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZBITMDKFKYLC-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3NC)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNIFDJAAIBQTNW-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3C(F)F)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZQPUVCGPRTKGN-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3C(F)(F)F)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJRSGMXBHJNOAG-JOCHJYFZSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3CO)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSRRTGDKBPSMIB-HSZRJFAPSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3COC)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJGGIMYNVZOKRK-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(F)c3)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIURZLYWZFVGC-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(Cl)c3)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGAMBTYCITZTQ-JOCHJYFZSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDKFVEWJRXFVSZ-JOCHJYFZSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(OC)c3)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLNHRNIHXMFSR-JOCHJYFZSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(CO)c3)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQZXCWWMMNVIFZ-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccc(F)cc3)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUPSHPLPAHYAR-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccc(Cl)cc3)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQHUWXDEQKFHT-JOCHJYFZSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccc(OC)cc3)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHWBYMRBWPGYDL-HXUWFJFHSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ncccc3C)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZURFCSWLXPXIN-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cnccc3C)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZTUAGNGBXUOHF-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccncc3C)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELGNONTSYIFIH-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccnc3C)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPQATJURMCMDU-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccc(F)cc3OC)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPJLNZHNIMRDLH-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(F)c3OC)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQILWIASXICSK-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(Cl)c3OC)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LACMSNCHWBQXEK-HXUWFJFHSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(Cl)c3F)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZXKZCKONTXGPN-OAQYLSRUSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3F)cc2)nc2cnccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYMPMGFNQYIPQ-HXUWFJFHSA-N", "SMILES:CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(Cl)c3F)cc2)nc2cnccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFMIEIPPPNOUGA-OAQYLSRUSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc3cncc(Cl)c3c(N[C@H](CC)C(N)=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKNQXXAPDFHNU-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1ccc(-c2nc(NC(C)C(=O)O)c3ccncc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMNRGOYZLMWBLZ-MOROJQBDSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCCN2CCCC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILMNYQDQBNGCW-SSHHRWTQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCNC(=O)c2ccccn2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJYDYHGBJZLCS-MEQWQQMJSA-N", "SMILES:CN1CCC(NC(=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVDGBSBNYFQHKG-UHFFFAOYSA-N", "SMILES:CNC1CCC(O)(Cn2cnc3c(N)ncnc32)C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWYRDVXYAOGDNK-JGCGQSQUSA-N", "SMILES:CC1(C)CCN(Cc2ccc(C(=O)NC[C@]3(O)CCCN(c4cc(NCc5ccccc5)ncn4)C3)c(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWYRDVXYAOGDNK-YTTGMZPUSA-N", "SMILES:CC1(C)CCN(Cc2ccc(C(=O)NC[C@@]3(O)CCCN(c4cc(NCc5ccccc5)ncn4)C3)c(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAFJZKIZSICLE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBERVORNENYOLE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRZJHBWKQGPMGI-IUXPMGMMSA-N", "SMILES:O=c1/c(=C/c2cccc(O)c2)sc2nc(C34CC5CC(CC(C5)C3)C4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZREJIIOBZSTEQN-LSCVHKIXSA-N", "SMILES:COc1cc(/C=c2\\sc3nc(C45CC6CC(CC(C6)C4)C5)nn3c2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXSQILIHTWRLFQ-DTQAZKPQSA-N", "SMILES:CN1C/C(=C\\c2cccs2)C2=NN(c3ccccc3)C(c3cccs3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXQCSTYJXEQQW-SDNWHVSQSA-N", "SMILES:CN1C/C(=C\\c2ccc(Br)s2)C2=NN(c3ccccc3)C(c3ccc(Br)s3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLAKQXKFGZXZNK-SDNWHVSQSA-N", "SMILES:CN1C/C(=C\\c2ccc(Cl)s2)C2=NN(c3ccccc3)C(c3ccc(Cl)s3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIOZQQGQLAXRBU-SDNWHVSQSA-N", "SMILES:CN1C/C(=C\\c2ccc(F)s2)C2=NN(c3ccccc3)C(c3ccc(F)s3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWKGXPIGCPDSD-QGOAFFKASA-N", "SMILES:Cc1ccc(/C=C2\\CN(C)CC3C2=NN(c2ccccc2)C3c2ccc(C)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFCHZLJNMGPIK-SDNWHVSQSA-N", "SMILES:CN1C/C(=C\\c2ccc(O)s2)C2=NN(c3ccccc3)C(c3ccc(O)s3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWYGPWKTGZZUSU-OBGWFSINSA-N", "SMILES:CCc1ccc(/C=C2\\CN(C)CC3C2=NN(c2ccccc2)C3c2ccc(CC)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSUNKMNFCMDQJS-SDNWHVSQSA-N", "SMILES:CN1C/C(=C\\c2ccc([N+](=O)[O-])s2)C2=NN(c3ccccc3)C(c3ccc([N+](=O)[O-])s3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFJQWYGTUKVKTB-CXUHLZMHSA-N", "SMILES:Cc1sc(/C=C2\\CN(C)CC3C2=NN(c2ccccc2)C3c2cc(Br)c(C)s2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMFSXHRXWHOFMK-WOJGMQOQSA-N", "SMILES:Cc1csc(/C=C2\\CN(C)CC3C2=NN(c2ccccc2)C3c2cc(C)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOUXWJZUJPPQX-CXUHLZMHSA-N", "SMILES:Cc1sc(/C=C2\\CN(C)CC3C2=NN(c2ccccc2)C3c2cc(F)c(C)s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPYXVMYRSNSFF-KTKRTIGZSA-N", "SMILES:C/C(=C/C(=O)Nc1nccs1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSDSTBQRQGJBSH-KTKRTIGZSA-N", "SMILES:COc1ccc(N/C(C)=C\\C(=O)Nc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZOUGCQOKXNQML-HJWRWDBZSA-N", "SMILES:C/C(=C/C(=O)Nc1nccs1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWGRCCZBVPOGTF-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)c1sc(N2CCOCC2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUAAZYJLTWGARQ-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)c1sc(N2CCOCC2)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXDKXNHRXJUOE-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)c1sc(N2CCOCC2)nc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYBTYABKFCDNLS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UILZUTSSQWREPT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFFHFGLYPYSQU-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)c1sc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNDQJHYCXHQOOR-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)c1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCJKVWKDIXCRM-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)c1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUGNOQUKOKJNS-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)c1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFLRJMGAWKAID-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2C(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYIWDONCIPTYBI-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)c1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZESPIYPJKXODV-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)c1sc(Nc2ccccc2)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMNILJVWHYPJJG-QZQOTICOSA-N", "SMILES:O=C(/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAKGJKWKBNFHGZ-XDOYNYLZSA-N", "SMILES:O=C(/N=c1\\scc(-c2ccc(F)cc2)n1-c1ccccc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APUIWZKNZHKCFJ-QQTULTPQSA-N", "SMILES:O=C(/N=c1\\scc(-c2ccc(C(F)(F)F)cc2)n1-c1ccccc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNEVVVKCYKJTGO-LNVKXUELSA-N", "SMILES:N#Cc1ccc(-c2cs/c(=N\\C(=O)c3cccs3)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTQKEHTCOIWSL-DQRAZIAOSA-N", "SMILES:Cc1ccc(-c2cs/c(=N\\C(=O)c3cccs3)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSNVZCIQOQNET-MRCUWXFGSA-N", "SMILES:O=C(/N=c1\\scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVBHGBQTYIKFF-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUQBRUVRCCSIJA-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2F)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHPKPSZMBCIEOJ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2F)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWRYMPQTLNRZEE-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2F)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXTRXNACJFKCTN-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2F)n1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQNMVLKJQIUUNO-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2F)n1)c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOUIUPOUHCQHIS-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(F)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCSGGZXXWFVCH-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFAPWEXTUUYWLW-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(F)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHDAGDKNSWXCDD-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(F)cc2)n1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBDUSBOIQPVNK-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(F)cc2)n1)c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFLSICEEKWURS-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(Br)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEBAUXGHNQDQM-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DASOTEJBILFGNG-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(Br)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRYOMWRSIUPOC-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(Br)cc2)n1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFONUSMUPFYJD-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(Br)cc2)n1)c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQEAMLGUNLZLPY-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWIKUHWUZSGMCT-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWQADZAVCCMGA-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWKWHBZBXAVQT-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMRNULJRRJOOJG-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccsc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCOUKNUZJZEKP-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccs2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPPNNLRYSTWQE-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccsc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOOCDJSYIIOLV-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccsc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPPBUGKMSBZZHX-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccsc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEVVQBIUASECGT-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccsc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCCIOIMNXCNREZ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccs2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCLGGXJAJLQACH-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccs2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWDUVKQPUCLVMM-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccs2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQZKPKHQPNXSRE-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccs2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXMRHRWWJBFNH-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(C)NC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAKYQCZTNZVKEV-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSKBFQVBNMWXNV-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQXNSSUIGHFNEM-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHHOPFWAXMTPH-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYDZPNMLONIHFV-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(C)NC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUBJARABRSRULV-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKIMPVLHYLMHEE-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STQZHEBCTQDGPG-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWJAMBRPFBOPM-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQEUFNCTIMWIJA-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(C)NC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIXNALKWXBSJOO-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVERXBXRMODPCD-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOAYGFSHPGJMKH-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEEVIKFJMRDVNR-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc(F)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGHFZEZZKUHQNG-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc(F)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWYSJCXIZMRPEZ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccccc2F)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTEVIWQEJKSARM-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccccc2F)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMOIZYKKVHNKR-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXGWBFIRIBKFF-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSSLJSKQSNJGB-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc(Cl)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJHITKCJDPHHR-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc(Cl)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAZUDKHSTOUOPN-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWSETPBZDQWLF-UHFFFAOYSA-N", "SMILES:Bc1ccc(C(NC(=O)c2cc(-c3ccccc3Cl)n(-c3ccc(S(N)(=O)=O)cc3)n2)P(=O)(OCC)OCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STJRKOSFXQVXQA-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFAYVVTTIQICE-UHFFFAOYSA-N", "SMILES:Fc1ccc(CSc2nnc(-c3cccs3)n2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHMDMLMWQNQLRF-JXMROGBWSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccc(-n3cnnn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOOKASPOKXCSJA-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3cccc(-n4cnnn4)c3)=NN2C(C)=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHSKJVOAMOWHN-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cccc(-n4cnnn4)c3)=NN2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOGOUBKPQIHMD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cccc(-n4cnnn4)c3)=NN2C(C)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOMGNBSPFOLARA-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cccc(-n4cnnn4)c3)=NN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLVDZRMBJBUOX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3cccc(-n4cnnn4)c3)=NN2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRIXUXNTLYDAIZ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(c3cccc(-n4cnnn4)c3)=NN2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHZGOTSLLRYULZ-SOFGYWHQSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cccc(-n3cnnn3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHCXCQRUKQXNML-BQYQJAHWSA-N", "SMILES:COc1cc(/C=C/C(=O)c2cccc(-n3cnnn3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJFYPUJFYNZAC-DHZHZOJOSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)c2cccc(-n3cnnn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZGDBAGPRVPNMA-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1cccs1)c1cccc(-n2cnnn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRTBMPAXQLKWTF-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1cccnc1)c1cccc(-n2cnnn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJHGTLIKOZHJE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3cccc(-n4cnnn4)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIVHIXIGLQCZCV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3cccc(-n4cnnn4)c3)no2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJLIEBQDWVQAF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3cccc(-n4cnnn4)c3)no2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHJMZZBCCMGJGT-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(NC(=O)CSc3nnc(Cc4c[nH]c5ccccc45)o3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FELJFUMXGSBVOX-VOTSOKGWSA-N", "SMILES:COc1ccccc1/C=C/C1=NNC(S)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYHLBHLUXJOAV-VOTSOKGWSA-N", "SMILES:Cc1ccccc1/C=C/C1=NNC(S)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLFQJNOWUPVAN-HWKANZROSA-N", "SMILES:COc1ccc(/C=C/C2=NN(c3ccc(S(N)(=O)=O)cc3)C(=O)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKWHCLRHCGDHY-ZZXKWVIFSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(/C=C/c3ccc(Cl)cc3)CCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKRIWEMPRCOAKX-GORDUTHDSA-N", "SMILES:COc1ccc(/C=C/C2=NN(c3ccc(S(N)(=O)=O)cc3)C(=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLBZETYJTUVTDD-VOTSOKGWSA-N", "SMILES:COc1ccccc1/C=C/C1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYYUXUQATQOBES-JXMROGBWSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVGKFJPZWBBIIE-YCRREMRBSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFCHGRNZWZHDY-JXMROGBWSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXROAFRMXZTIX-YCRREMRBSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUWQCXGKFZOKT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDVMVFHKIXFZDK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACPCOBLVSWWIKM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(Br)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCPVWRMAAREQIS-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDVSKCTUJCNNRI-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLYVAHPAINOJJV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cc(-c3ccc(Br)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKTPZOYSPUWOKT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRCLRFZXHWGEW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUHDJWTOGQXHU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(Br)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSSDRGXWYAVDU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWVZKYQOBHROLK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBZFDDLDUMMTNL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cc(-c3ccc(Br)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFYQKXQNDHXFMV-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccccc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJLFACCQRZHHQV-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(N)=O)C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWXSFGWBFZMJC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(C(N)=O)C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHMXUHYBIGHNK-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(F)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQLRINLVXSRNN-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPLMDRJNQMFOJT-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccccc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSZXWXDISXBCDK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(C(N)=O)C(c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVJKTWLCVYBCL-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(F)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVJXFCNWFASLKA-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(N)=O)C(c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBSSXLAQRGSNKB-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDOBSFQCXONGKO-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccccc2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPTMGVNNUJHZSO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(N)=O)C(c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFFBRXSEYPYNM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(C(N)=O)C(c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBENYVFONFSGHI-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(F)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAHJRIMTOOOJJX-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc2oc(-c3ccccc3)cc2cc1-c1c[se]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCGZEJDESNLOTM-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc2oc(-c3cccc(F)c3)cc2cc1-c1c[se]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKFEOLLTSZNBK-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc2oc(-c3ccc(F)cc3)cc2cc1-c1c[se]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAOACSPAMCMDKW-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc2oc(-c3cccc(Cl)c3)cc2cc1-c1c[se]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRGJSXNQCOVHTJ-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc2oc(-c3ccc(C)cc3)cc2cc1-c1c[se]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKUOAUGERCLVBY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(-c4c[se]nn4)c(OC(C)=O)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFPGXHUSRVMYNK-UHFFFAOYSA-N", "SMILES:NC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYFNCUSKQCVNL-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(C(=O)n2nc(C)cc2-c2ccccc2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQXEAIMRUQUED-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(C(=O)n2nc(C)cc2C)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNBUOXUGRQLNO-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(-c2n[nH]c(=S)o2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODFJZZIUCBIKK-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(C(=O)N2N=C(C)CC2=O)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHQTJSZPKEEPF-FTTXPQLCSA-N", "SMILES:CCCCNc1cc(C(=O)N/N=c2\\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDWXPLNPCYWTSK-FJSCPDHXSA-N", "SMILES:CCCCNc1cc(C(=O)N/N=c2\\scc(-c3ccc(C)cc3)n2-c2ccccc2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEPJTWBUDUYLF-FJSCPDHXSA-N", "SMILES:CCCCNc1cc(C(=O)N/N=c2\\scc(-c3ccc(OC)cc3)n2-c2ccccc2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUECZLRBMFZTBC-BNIPGBBVSA-N", "SMILES:C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\\NC(=O)c1cc(NCCCC)c(Oc2ccccc2)c(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOBSJMUIZIGVGH-BVNFUTIRSA-N", "SMILES:C=CCn1c(-c2ccc(C)cc2)cs/c1=N\\NC(=O)c1cc(NCCCC)c(Oc2ccccc2)c(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDGNEAMXDYCAK-BVNFUTIRSA-N", "SMILES:C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\\NC(=O)c1cc(NCCCC)c(Oc2ccccc2)c(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZZGISWVQNBYTF-IFZQRFIDSA-N", "SMILES:CCCCNc1cc(C(=O)N/N=c2\\scc(-c3ccc(Cl)cc3)n2-c2ccc(Br)cc2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVLUQPPCSMAAES-GUPKEBGXSA-N", "SMILES:CCCCNc1cc(C(=O)N/N=c2\\scc(-c3ccc(C)cc3)n2-c2ccc(Br)cc2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJWCMUMGINZKAC-GUPKEBGXSA-N", "SMILES:CCCCNc1cc(C(=O)N/N=c2\\scc(-c3ccc(OC)cc3)n2-c2ccc(Br)cc2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHVVXINBKCEAPA-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(-c2n[nH]c(=S)n2-c2ccccc2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRUYGCKTBSHKKR-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(-c2n[nH]c(=S)n2-c2ccc(Br)cc2)cc(S(N)(=O)=O)c1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBLWLZRXDUOTJ-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(-n2c(-c3cc(NCCCC)c(Oc4ccccc4)c(S(N)(=O)=O)c3)n[nH]c2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1380054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGBMIZREYTWRI-UHFFFAOYSA-N", "SMILES:O=Cc1cn(-c2ccccc2)nc1-c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5278905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZNBDWVFFDKNQ-UHFFFAOYSA-N", "SMILES:O=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXYPLWUTXUKWKV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)cc2C=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFTIOLJSMRDAPY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCLZNLLDIYMGH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDUBOOUNWAWNT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIDOYRIUFNGOLJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)OCCn2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBJTUDFZJHTNI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)OCCn2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZIHBASMDQYLJM-UHFFFAOYSA-N", "SMILES:CCC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSDTPFJUFTRBH-KPKJPENVSA-N", "SMILES:Cc1c(C(=O)/C=C/c2ccccc2)nnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDCUVCLCFCRKJ-UHFFFAOYSA-N", "SMILES:Cc1c(C2=NNC(c3ccccc3)C2)nnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHFLJRRDVMRTNB-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2nnn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRFCJIAKYHYRNY-WYMPLXKRSA-N", "SMILES:C/C(=N\\NC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJRRWLTAHUBBF-WSDLNYQXSA-N", "SMILES:C/C(=N\\NC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMWHCQKZAYSQEI-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NNC(=S)Nc2ccccc2)nnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMSGGQOWGFCDT-PSBNPPRTSA-N", "SMILES:CC(C)=CC[C@H]1C[C@@H]2C[C@@H]3[C@@H](C[C@]4(C)C(C)(C)OC[C@]34C)C(=O)[C@](C(=O)c3ccccc3)(C1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQRJSNSKHNJWJR-QISBMYOCSA-N", "SMILES:CCC(C)C(=O)[C@H]1C(=O)[C@@]2(CC=C(C)C)C[C@H](C[C@H]3[C@@H](C[C@H](C(C)(C)O)C3(C)C)C2=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAXOHZXAVASIPN-ZROIWOOFSA-N", "SMILES:CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\\c1sccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORXTKKBBVZTOX-YVLHZVERSA-N", "SMILES:CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\\c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUTUAYCQYNRLQ-HAHDFKILSA-N", "SMILES:CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\\c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWADORNRODOQA-YVLHZVERSA-N", "SMILES:CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\\c1ccc(F)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKBVEUMXICYID-YBEGLDIGSA-N", "SMILES:CCOc1cc(/C=C2\\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRVXSJXJHMQQB-BOPFTXTBSA-N", "SMILES:COc1cc(/C=C2\\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWUYNHPDSBHFO-XHPQRKPJSA-N", "SMILES:NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)N=C2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPDIEQHDVVWQH-BWAHOGKJSA-N", "SMILES:COc1cc(/C=C2\\N=C(c3ccccc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTESWYRKYSNDOQ-BWAHOGKJSA-N", "SMILES:COc1cc(/C=C2\\N=C(c3ccccc3)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGIBPZYIAPZKDH-UHFFFAOYSA-N", "SMILES:O=C1CS/C(=N/c2nnc(-c3ccccc3O)s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGDKXVLFRWIDKL-UHFFFAOYSA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)CS2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRONOBDAPPBVEZ-UHFFFAOYSA-N", "SMILES:O=C1CS/C(=N/c2nnc(-c3ccccc3)s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOHUYOSNBOXONN-UHFFFAOYSA-N", "SMILES:O=C1CS/C(=N/c2nnc(-c3ccc(O)cc3)s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWQXRJHYTOLKIZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(/N=C3\\NC(=O)CS3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNZIGRJAQRCCSM-UHFFFAOYSA-N", "SMILES:O=C1CS/C(=N/c2nnc(-c3ccc(Br)cc3)s2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFGVNBGXCJVOR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(/N=C3\\NC(=O)CS3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVVNZURYVQTTP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(/N=C3\\NC(=O)CS3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTBZCVTMAPTNR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nnc(/N=C3\\NC(=O)CS3)s2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBBJXQQVARXRR-XFFZJAGNSA-N", "SMILES:Cc1ccc(/C=C2\\S/C(=N/c3nnc(C)s3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNCJERKGJVFOO-LCYFTJDESA-N", "SMILES:CCCc1ccc(/C=C2\\S/C(=N/c3nnc(C)s3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNYSXSKHCBUYFK-JYRVWZFOSA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTFZLNMJZCJLE-POHAHGRESA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)/C(=C/c3ccc(O)cc3)S2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXZUUFMRKCDHG-XFFZJAGNSA-N", "SMILES:COc1ccc(/C=C2\\S/C(=N/c3nnc(C)s3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPCDLRLXYKKSMC-WQLSENKSSA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVMZRZJENHXSZ-POHAHGRESA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)/C(=C/c3ccc(Cl)cc3)S2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGJSZSWCRGILQE-POHAHGRESA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)/C(=C/c3ccc(Br)cc3)S2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZERRYHDALMEMG-POHAHGRESA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)/C(=C/c3ccc(F)cc3)S2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOFUBBGDWTZJX-VQDMZCOGSA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)/C(=C/C=C/c3ccccc3)S2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNHKXYSTFYQQNE-UITAMQMPSA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)/C(=C/c3cccnc3)S2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQOUOPBHCCXAIH-YWEYNIOJSA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)/C(=C/c3ccsc3)S2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJQIWNQCEKHXCI-YFHOEESVSA-N", "SMILES:Cc1nnc(/N=C2\\NC(=O)/C(=C/C3CCCCC3)S2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJWRGYZTJRCXQJ-UHFFFAOYSA-N", "SMILES:CC1=c2c(OCc3nnc(SCC(=O)N4CCN(c5ccccc5)CC4)o3)nn(C)c(=O)c2=C(C)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYQLJFVZSLMDC-UHFFFAOYSA-N", "SMILES:CCCCCC1C(C)=c2c(OCc3nnc(SCC(=O)N4CCN(c5ccccc5)CC4)o3)nn(C)c(=O)c2=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBHJUMHARNOOU-UHFFFAOYSA-N", "SMILES:CC1=c2c(OCc3nnc(SCC(=O)N4CCN(c5ncccn5)CC4)o3)nn(C)c(=O)c2=C(C)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPYIVHXAFCNLN-UHFFFAOYSA-N", "SMILES:CCCCCC1C(C)=c2c(OCc3nnc(SCC(=O)N4CCN(c5ncccn5)CC4)o3)nn(C)c(=O)c2=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDBKHTYLIFOGH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)NC(=S)Nc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTWXUGJJCQZTD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)NC(=S)Nc1ccc(F)cc1)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVDXPYUDXZVST-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)NC(=S)Nc1ccc(Cl)cc1)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQOQKNZFRFFKNQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)NC(=S)Nc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTALRFJFXVIOTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJJBVVABDFZQLH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=S)NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWMVFFPTJIZQZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=S)NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAZXOKRZXFPFEC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)NNC(=O)CC#N)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFAOGOLWUXCFFL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)Nn1c(C)cc(C)c(C#N)c1=O)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGRQDNBWICVDH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)Nn1c(N)c(C#N)c(-c3ccccc3)c(C#N)c1=O)c(C)n2C(=O)c1ccc(N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWLZRKDKNNUOC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)Nn1c(N)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c1=O)c(C)n2C(=O)c1ccc(N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJEWMIJVETVYBW-RAXLEYEMSA-N", "SMILES:O=c1[nH]n2c(=O)c3ccccc3nc2/c1=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBEFEKVWQFUNGO-XFXZXTDPSA-N", "SMILES:O=c1[nH]n2c(=O)c3ccccc3nc2/c1=C/c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCVRJDWFWAPYGV-LCYFTJDESA-N", "SMILES:O=c1[nH]n2c(=O)c3ccccc3nc2/c1=C/c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMYHQMCRQKYSM-LCYFTJDESA-N", "SMILES:O=c1[nH]n2c(=O)c3ccccc3nc2/c1=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPOFBSFXHFDBV-RAXLEYEMSA-N", "SMILES:COc1ccccc1/C=c1\\c(=O)[nH]n2c(=O)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNBMVIAVMRUVAY-UVTDQMKNSA-N", "SMILES:COc1ccc(/C=c2\\c(=O)[nH]n3c(=O)c4ccccc4nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJNUQCOPVXEDNJ-LCYFTJDESA-N", "SMILES:O=c1[nH]n2c(=O)c3ccccc3nc2/c1=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOHUUUSFJPFTN-LCYFTJDESA-N", "SMILES:O=c1[nH]n2c(=O)c3ccccc3nc2/c1=C/c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXBUCRSHFHMBDH-CCVNUDIWSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2ccccc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3cccs3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZPZADWUARSBDC-VFLNYLIXSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2ccc(Cl)cc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3cccs3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVSLSNFYYDNTL-VFLNYLIXSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2ccc(Br)cc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3cccs3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBGWDAGTANJKFP-IPPBACCNSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)c2sc3nc(-c4ccc(Cl)cc4)cc(-c4cccs4)c3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZICBNUTQRYAS-MWBNBJEGSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2ccc(C(=O)Oc3ccccc3)cc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3cccs3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXSILALZMDHAM-ZQBKUBQBSA-N", "SMILES:COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)C(=O)N/C(=C\\c3ccccc3)C(=O)O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMBILSXWJDTFK-UHFFFAOYSA-N", "SMILES:CCCCc1cc(=O)oc2[nH]c(=S)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPGUIRLUDNXCFU-UHFFFAOYSA-N", "SMILES:O=c1cc(CCCCCl)c2c(=O)[nH]c(=S)[nH]c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJIQNNNWCCCRQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2c(CCCCCl)cc(=O)oc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKVORJZAARSNB-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2[nH]c(=S)[nH]c(=O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1672755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGWCOWNJAYMSIC-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)oc2nc(S)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOBUBJGHCRCWCQ-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)oc2[nH]c(=S)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPYUWOIOYQZJD-UHFFFAOYSA-N", "SMILES:CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCEKLYIZXNAZCJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(=O)c2c(CCCCCl)cc(=O)oc2[nH]1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPLLKKVCDZZQY-UHFFFAOYSA-N", "SMILES:NC(=O)CSc1nc(=O)c2c(CCCCCl)cc(=O)oc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2297458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWFTYDGRPMABTO-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXORNWMWZGDNCE-UHFFFAOYSA-N", "SMILES:Nc1nc(S)nc2c1Oc1[nH]c(=O)[nH]c(=O)c1C2c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMIMAXKGHVXZFG-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2cc([N+](=O)[O-])ccc2[N+](=O)[O-])c2c1Oc1[nH]c(=O)[nH]c(=O)c1C2c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATTZEZLYGKBCC-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1Oc1[nH]c(=O)[nH]c(=O)c1C2c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIQBRYBZDBPWLC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(c(=O)[nH]1)C(c1cccs1)c1[nH]c(=S)[nH]c(=S)c1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZANUPJHEYNEHIU-UHFFFAOYSA-N", "SMILES:CONC1=C(C#N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJLWOCWCAWSTA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(c(=O)[nH]1)C(c1cccs1)c1[nH]c(=S)n(-c3ccccc3)c(=O)c1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVEPUWRPSOFXND-UHFFFAOYSA-N", "SMILES:Cc1nc(O)c2c(n1)Oc1[nH]c(=O)[nH]c(=O)c1C2c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMULIHKKHQHUGJ-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc([N+](=O)[O-])cc2)nc2c1C(c1cccs1)c1c([nH]c(=O)[nH]c1=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUJQVRCTRYGJMD-REZTVBANSA-N", "SMILES:CCO/C=N/C1=C(C#N)C(c2cccs2)c2c([nH]c(=O)[nH]c2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL611665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMCRAXOACCPEL-UHFFFAOYSA-N", "SMILES:O=c1nc2oc3ccccc3cc-2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIZSBMFOVIAQKN-UHFFFAOYSA-N", "SMILES:O=C1N=C2Oc3ccccc3CC2C(=O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQZJETJYUCDOSL-UHFFFAOYSA-N", "SMILES:O=C(C1=C(c2ccccc2O)Oc2[nH]c(=S)[nH]c(=O)c2C1c1ccc(Cl)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGLWUISNDBICFK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C(=O)N3CCCCC3)=C(c3ccccc3O)Oc3[nH]c(=S)[nH]c(=O)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQARIDQNCYBLIC-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(C(=O)N3CCCCC3)=C(c3ccccc3O)Oc3[nH]c(=S)[nH]c(=O)c32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUOWTMRNOQMSSV-UHFFFAOYSA-N", "SMILES:O=C(C1=C(c2ccccc2O)Oc2[nH]c(=S)[nH]c(=O)c2C1c1ccc(O)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLUHTWDTWADBQ-UHFFFAOYSA-N", "SMILES:O=C(C1=C(c2ccccc2O)Oc2[nH]c(=S)[nH]c(=O)c2C1c1ccccc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUCOYSUZCFDRIE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2C(C(=O)N3CCCCC3)=C(c3ccccc3O)Oc3[nH]c(=S)[nH]c(=O)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOUQOMVZWKVAU-UHFFFAOYSA-N", "SMILES:O=C(C1=C(c2ccccc2O)Oc2[nH]c(=S)[nH]c(=O)c2C1c1ccc(Br)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZISWAZGWVFUFQV-UHFFFAOYSA-N", "SMILES:O=C(C1=C(c2ccccc2O)Oc2[nH]c(=S)[nH]c(=O)c2C1c1ccc(F)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URDDLTLCNGYPAC-UHFFFAOYSA-N", "SMILES:O=C(C1=C(c2ccccc2O)Oc2[nH]c(=S)[nH]c(=O)c2C1c1cc2ccccc2cc1O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXCNPBFKGLZTA-UHFFFAOYSA-N", "SMILES:O=C(C1=C(c2ccccc2O)Oc2[nH]c(=S)[nH]c(=O)c2C1c1ccccc1O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNWQRABCPKVEES-IGMJBKBHSA-N", "SMILES:N#CC1=C(NC[C@]2(O)O[C@H](O)[C@@H](O)[C@@H](O)[C@H]2O)Oc2[nH]c(=S)[nH]c(=O)c2C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPBQNKZVDYIKSC-UHFFFAOYSA-N", "SMILES:N=c1c2c(ncn1-c1ccccc1)Oc1[nH]c(=S)[nH]c(=O)c1C2c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POIGBFWPQVDZFZ-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Oc1ncn(-c3ccccc3)c(=N)c1C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNXZZVNWGGJMLN-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2cnc3c(c2=N)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)O3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFHDYAPLXTRNJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-n2cnc3c(c2=N)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBONBXWTGOZKAG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Oc1ncn(-c3cccc(Cl)c3)c(=N)c1C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXNJTLKVLSBGG-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cnc3c(c2=N)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJGPYMFTPCLITR-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Oc1ncn(-c3cccc4ccccc34)c(=N)c1C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMNQKAALYPDPHS-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Oc1ncn3ncnc3c1C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQWHELKYHYCDV-UHFFFAOYSA-N", "SMILES:Cc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)C3c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXGKODVDEVNBKI-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(CC#N)nc3c1C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZJVKWJMJLSDX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3nc4c5c(ncn4n3)OC3=C(C(=O)CC(C)(C)C3)C5c3ccccc3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTYFQJESBHIPF-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBROIDUZYDLBLJ-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFJKSJXBIQQFI-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSDAPGNSUTTPD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZSAQBYNKEDBD-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFDUAGXUWPVRC-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTYVTZKBLECGF-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPIIEKGXUHJOD-UHFFFAOYSA-N", "SMILES:Cn1c2c(c(=O)n(C)c1=O)C(c1ccc(O)cc1)C(C#N)=C(N)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHUFQIXJXHBBC-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2C(c3ccccc3)C(C#N)=C(N)OC2N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNTQCMGRTMNDDN-MBMZGMDYSA-N", "SMILES:Cc1c(C(=O)NCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMAUAYLTKMGYIX-UHFFFAOYSA-N", "SMILES:C#CCCCC(=O)N1CCOc2ccc(N(CCC#N)C(=O)CCl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPRDGWIPUZHUBE-NDEPHWFRSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCNC(=O)CN1CCOc3cc(N(CCC#N)C(=O)CCl)ccc31)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVNLOGQWJMAEJT-LJAQVGFWSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCNC(=O)CN1CCOc3cc(N(CCC#N)C(=O)CCl)ccc31)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYOMCFIVRBTQJZ-PMERELPUSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCN1CCOc3cc(N(CCC#N)C(=O)CCl)ccc31)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRZDIMCPYJLQKH-YTTGMZPUSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCCN1CCOc3cc(N(CCC#N)C(=O)CCl)ccc31)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAIPGLQKRHCEJM-UMSFTDKQSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCCOCCN1CCOc3cc(N(CCC#N)C(=O)CCl)ccc31)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJMFVWHCPNMRS-UHFFFAOYSA-N", "SMILES:CCn1nc(C2CC2)cc1Nc1nc(C(=O)NCCCOCCOCCOCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZWSHSXOCDWWHO-CYZZXXEPSA-N", "SMILES:COc1cc(CN(CCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)c([N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYBVSBAZZWUPHH-XLTVJXRZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCNc1cccc3c1CN(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYXWOZYARUULQX-LWKHJFSZSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2[C@@H](F)[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIQDRWXVMXGCCD-LQLVTDSRSA-N", "SMILES:CCS(=O)(=O)Cc1cc2c(cc1C(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(-c3scnc3C)cc1)C(C)(C)C)N(c1ncc(F)cc1F)Cc1c[nH]c3c(=O)n(C)cc-2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEHQGWGMMKWAX-NGMXXZSUSA-N", "SMILES:Cc1ncsc1-c1ccc2c(c1)OCCOCCOC[C@@H](NC(=O)C[C@H]1N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc31)COCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOELULNVXJZAEW-XGCAABAXSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCC(=O)NC(C)C(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXAFSTIEKGDKLM-UMSFTDKQSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCNC(=O)c1cccc(S(=O)(=O)Nc3ccc(C)c4c(C#N)c[nH]c34)c1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELFRNBYIDDQHB-IMIQAEQASA-N", "SMILES:CCOC(=O)C[C@H](c1ccc(C)c(CN2C[C@H](C)Oc3ccccc3S2(=O)=O)c1)c1cc(OCCNC(=O)CNC(=O)C[C@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)c2c(c1)nnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEGZGQJIKUAAS-XZGJJXKASA-N", "SMILES:COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4-c4ccc(C(=O)NCCCNC(=O)C[C@@H]5N=C(c6ccc(Cl)cc6)c6c(sc(C)c6C)-n6c(C)nnc65)cc4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRHMHAKZPJNKS-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1N=C(c2ccc(Br)cc2)CC1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDJSVHDOXCYPT-UHFFFAOYSA-N", "SMILES:N#CCCN(C(=O)CCl)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRONDSUSMJAEI-XIJSCUBXSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCNC(=O)COc1ccc(C3CCC(=O)NC3=O)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORORHIPTEMFDHJ-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(-c3nn(C4CCNCC4)c4ncnc(N)c34)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GITNDHUJOBXSCE-AATRIKPKSA-N", "SMILES:Cc1ccc2oc(-c3c4c(N)n[nH]c(=O)c4nn3-c3ccc(NC(=O)/C=C/CN(C)C)cc3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYBQELLBNQSEEB-LBPRGKRZSA-N", "SMILES:C=CC(=O)N1CC[C@H](c2nc(-c3cc4cc(Br)cc(OC)c4s3)c3c(N)nccn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUAVCXINBQWRAV-YZIPPPLESA-N", "SMILES:N#C/C(=C/C(=O)N1CCC[C@@H](n2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc32)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSKESFIGNPXKD-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCC[C@H](n2nc(C(=O)c3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYICDSWKKFSYOM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZJITHYLLPELBX-IUXSFFHASA-N", "SMILES:C=CC(=O)Nc1cc(-c2nn(C3CCN(CCNC(=O)[C@H](C)CCC45CC6CC(CC(C6)C4)C5)CC3)c3ncnc(N)c23)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFLAQVDISHMNB-AFARHQOCSA-N", "SMILES:Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](CN2CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXLQJZQRBVGUCM-ZVDOUQERSA-N", "SMILES:CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4cc(OC[C@@H]5CCCO5)ccc4F)c4c(N)ncnc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2057912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMJUPMONHWAZCP-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTDXEUQTVTOGP-XJDOXCRVSA-N", "SMILES:CC#CC(=O)NC1CCC[C@@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYIVPRSFFISEB-MRXNPFEDSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)nc1)nn2[C@@H]1CCCN(C(=O)CCl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWCBCCHHYJEEW-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2408776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIZYQVRKSWIFO-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2Cc2cccc(-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPXZZWTHIZICK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cn(-c3ccc(CCN4CCC(O)CC4)cc3)c3ncnc(N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDVSOQRNTAPCHB-YHBQERECSA-N", "SMILES:CN1CCN([C@H]2CC[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWODHENDABKBRB-OYSWKTHDSA-N", "SMILES:C#CCO[C@@H]1[C@H](C)[C@@H](COS(=O)(=O)C=C)O[C@H]1n1nc(-c2ccc(C)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIZYTQJDGPPDJ-CLQHIKNWSA-N", "SMILES:C#CCO[C@@H]1[C@H](C)[C@@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)O[C@H]1n1nc(-c2ccc(C)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZNLKHOSHDVAJ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2CCNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUEOUSLQZCYANZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(CCn1nc(-c2cc(O)c(Br)c(F)c2)c2c(N)ncnc21)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYKCOQFJLUHQE-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1cc(O)c(Br)c(F)c1)nn2C1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJZVFOXTQFEED-AWEZNQCLSA-N", "SMILES:Nc1ncnc2c1c(-c1cc(O)c(Br)c(F)c1)nn2[C@H]1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMRVCASGJDEETF-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c(O)c(CO)n1CCn1cc(COc2ccc3ccc(=O)oc3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGEFCJWVCMQACO-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c(O)c(CO)n1CCCn1cc(COc2cc3ccccc3oc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXYOZAHZZDQMK-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1CCCC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHAIWVRLIUGBMJ-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1-c1ccc(CC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVOEGCCIQTIEB-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)c(=O)ccn1-c1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1356238", "category": ["biolink:ChemicalEntity"], "name": "PYRITHIONE", "xref": ["InChIKey:FGVVTMRZYROCTH-UHFFFAOYSA-N", "SMILES:[O-][n+]1ccccc1S"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL5274715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBHELQPDZPJEY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(-c2ccccc2)cc1)c1occc(=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSEDMHXJLQVYKB-UHFFFAOYSA-N", "SMILES:Cn1ccc(=O)c(O)c1C(=O)NCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRGAQJJZQRWVPY-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c(O)c(C(=O)NCc2ccc(-c3ccccc3)cc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSHZQFVEIUWJLE-UHFFFAOYSA-N", "SMILES:Cc1occ(O)c(=S)c1C(=O)NCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSIRXHFAUFUEJ-GPTQDWHKSA-N", "SMILES:Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3326438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTPXYUZLLYULJQ-UHFFFAOYSA-N", "SMILES:On1ccc2ccccc2c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1649594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQRWPNLEMQCSX-UHFFFAOYSA-N", "SMILES:Oc1coccc1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODWQVYBZPFQIPV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC1=CC=CN(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDNRHFZLNNPHM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1cccc(=S)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIOAYSRXMTILZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1c[nH]c2ccccc2c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZTXQDMTBCNFFV-UHFFFAOYSA-N", "SMILES:Oc1coc2ccccc2c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMMNLRHGAAUNM-UHFFFAOYSA-N", "SMILES:Cc1cc(=S)c(O)c(C(=O)NCc2ccc(-c3ccccc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVOLHASWMRPTKQ-UHFFFAOYSA-N", "SMILES:On1cc2ccccc2cc1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYGNOQKNCICNN-UHFFFAOYSA-N", "SMILES:COc1ccnc(Nc2n[nH]c(N)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSJQJOHBDAMEL-UHFFFAOYSA-N", "SMILES:COc1ccnc(Nc2nn3c(SC)c(C#N)c(N)nc3c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHPMCXUYDLUON-UHFFFAOYSA-N", "SMILES:COc1ccnc(Nc2nn3c(SC)c(C#N)c(O)nc3c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWJHAGJIVBGATF-UHFFFAOYSA-N", "SMILES:COc1ccnc(Nc2nn3c(C)cc(C)nc3c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOSHYZHJHZGQB-UHFFFAOYSA-N", "SMILES:CCOc1cc(C)nc2c(C#N)c(Nc3cc(OC)ccn3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVVFOKDFJMUAF-UHFFFAOYSA-N", "SMILES:CCOc1cc(N)n2nc(Nc3cc(OC)ccn3)c(C#N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1596561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNCJNZLSIUWYRF-UHFFFAOYSA-N", "SMILES:CC1(C2CC(C(F)(F)F)n3nc(C(=O)O)cc3N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMWBEVLHVOEIT-UHFFFAOYSA-N", "SMILES:O=C(O)c1nn2c(c1Cl)NC(c1ccccc1)CC2C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESKKBXCOVYHKM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(C(F)(F)F)n3nc(-c4ccc(C(=O)O)cc4)cc3N2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUOXDRIVQZAHTF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(C(F)(F)F)n3nc(C(N)=O)cc3N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSMYKNXCIPBBV-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nn3c(-c4ccccc4)cc(-c4ccccc4)nc3c2C(N)=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSEGTDJUUQGMNZ-UHFFFAOYSA-N", "SMILES:O=c1c(Cc2ccccc2)c[nH]c2c(-c3ccccn3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXBRRCDMPJUQQV-UHFFFAOYSA-N", "SMILES:CSc1cc(C)nc(SC)c1NC(=O)CCN1CCN(CCSc2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIIKZACQDAPJRU-QHCPKHFHSA-N", "SMILES:CC(C)=CCc1ccc(O)c([C@@]2(O)c3c(O)cc(C)cc3C(=O)C2(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIIKZACQDAPJRU-HSZRJFAPSA-N", "SMILES:CC(C)=CCc1ccc(O)c([C@]2(O)c3c(O)cc(C)cc3C(=O)C2(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQJCGYKVUDWOK-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1ccc(O)c(C(=O)c2c(O)cc(C)cc2C2=C(c3c(O)ccc(CC=C(C)C)c3O)c3c(O)cc(C)cc3C2=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPXPFQWFRXFCA-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1ccc(O)c(C(=O)c2c(O)cc(C)cc2C(=O)C(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVQRHJSURJCJCC-VNKDHWASSA-N", "SMILES:C/C=C/C=C/CCCCCCC(=O)CNC(C)=O"], "chembl_natural_product": true}
{"name": "Sterol O-acyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL3879850"], "id": "UniProtKB:O77760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9534"]}
{"name": "Sterol O-acyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL3879854"], "id": "UniProtKB:O77759", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9534"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSWWYGVLWQSNR-QWIUXTLFSA-N", "SMILES:CC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]34[C@H](CC[C@@]3(C)[C@@]4(O)CC[C@H]4C[C@@]5(O)c6c(CC7OC7(C)C)cccc6N[C@@]5(O)[C@@]43C)O[C@@H]2C(C)(C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSPQHFLVBEQBI-FXWBJDMXSA-N", "SMILES:CO[C@@]12Nc3cccc(CC4OC4(C)C)c3[C@]1(O)C[C@@H]1CC[C@@]3(O)[C@@]45O[C@@H]4[C@@H]4O[C@H](C=C(C)C)OC(C)(C)[C@H]4O[C@H]5CC[C@]3(C)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5285975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDILDTWSMXAWQK-OYSVWAFASA-N", "SMILES:CC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]34[C@@H](O[C@@H]2C(C)(C)O1)[C@H](O)C[C@@]1(C)[C@@]4(O)CC[C@H]2C[C@@]3(O)c4c(CC5OC5(C)C)cccc4N[C@@]3(O)[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOOJBZHDPURBGQ-QFEZKATASA-N", "SMILES:COc1cc(/C=C2/CN(C(C)=O)C(Cc3ccccc3)CN2C(=O)c2ccccc2)cc2c1OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5276496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGGKHQHUNJNPM-OEDIKBKPSA-N", "SMILES:CC(=O)OC[C@@](C)(OC(C)=O)[C@@H]1C[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]2(C)[C@H](OC(C)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGGKHQHUNJNPM-XOOMGTBGSA-N", "SMILES:CC(=O)OC[C@@](C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@@H](O)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGGKHQHUNJNPM-JJDOQHQHSA-N", "SMILES:CC(=O)OC[C@](C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@@H](O)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGGKHQHUNJNPM-KZLLAZBYSA-N", "SMILES:CC(=O)OC[C@@](C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGGKHQHUNJNPM-PTFRMSQESA-N", "SMILES:CC(=O)OC[C@](C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGGKHQHUNJNPM-YBEFSANESA-N", "SMILES:CC(=O)OC[C@](C)(OC(C)=O)[C@@H]1C[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]2(C)[C@H](OC(C)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGGKHQHUNJNPM-RQIUQXJASA-N", "SMILES:CC(=O)OC[C@](C)(OC(C)=O)[C@@H]1C[C@@H]2[C@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]2(C)[C@H](OC(C)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGGKHQHUNJNPM-GLIUTLDMSA-N", "SMILES:CC(=O)OC[C@@](C)(OC(C)=O)[C@@H]1C[C@@H]2[C@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]2(C)[C@H](OC(C)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409855", "category": ["biolink:ChemicalEntity"], "name": "BEAUVERIOLIDE III", "xref": ["InChIKey:VEELKRGSLCNVAR-QVZGIDAOSA-N", "SMILES:CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEELKRGSLCNVAR-AWIGMLKBSA-N", "SMILES:CCCC[C@@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5276132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJWGEVYNZAXJKW-PIKUZRJESA-N", "SMILES:CCCC[C@H](C)[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWEYIUZSYFJVLA-NTBYDNMOSA-N", "SMILES:CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@H](C)CC)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIDFLGQVFJATJP-LHGBKGOFSA-N", "SMILES:CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@H](c4ccccc4)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBZJVGOWLSYPGL-QATYFIILSA-N", "SMILES:CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@H](c4ccccc4C)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWSEXMNXLGQJB-HRSZXCBJSA-N", "SMILES:CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2334539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBSJDWOXHMSOQS-ZRPSWOMSSA-N", "SMILES:CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(=O)c3ccc(C#N)cc3)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZAZJYRGRRKCKF-MSWCCJPISA-N", "SMILES:CC(C)[C@@H]1C[C@H](OC(=O)c2ccc(C#N)cc2)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJTVAJRWQLUHU-JPOMKMIZSA-N", "SMILES:Cc1ccccc1[C@H]1OC[C@@H]([C@@H]2C[C@H](OC(=O)c3ccc(C#N)cc3)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3C2(C)C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNOKDSBMZBPMBW-UNBVXKHDSA-N", "SMILES:C[C@]12Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@@H]1C[C@@H](OC(=O)c1ccc(C#N)cc1)C[C@H]2OC(=O)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQUITXUEGBSOF-WQAPMOEGSA-N", "SMILES:C[C@]12Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@@H]1C[C@@H](OC(=O)Oc1ccccc1)C[C@H]2OC(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEELKRGSLCNVAR-AOTNVCFOSA-N", "SMILES:CCCC[C@H](C)[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL515806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEELKRGSLCNVAR-KEWAZOGQSA-N", "SMILES:CCCC[C@H](C)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@H](C)CC)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWKPHFTZYQSCIB-LZMNFUABSA-N", "SMILES:CCCCCCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMMQOFWSZRQWEV-RVTXXDJVSA-N", "SMILES:CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2398804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSDMSWMTGQIHRK-KFSBURAESA-N", "SMILES:Cc1ccccc1[C@@H]1OC[C@@]2(C)[C@@H]3C[C@H](OC(=O)c4ccc(C#N)cc4)[C@@]4(C)Oc5cc(-c6cccnc6)oc(=O)c5[C@H](O)[C@@H]4[C@@]3(C)CC[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABZWZWCOZORHIB-LVIBBYQVSA-N", "SMILES:Cc1cccc(C)c1[C@@H]1OC[C@@]2(C)[C@@H]3C[C@H](OC(=O)c4ccc(C#N)cc4)[C@@]4(C)Oc5cc(-c6cccnc6)oc(=O)c5[C@H](O)[C@@H]4[C@@]3(C)CC[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPZZPGHQWIFSL-LEBJRGPHSA-N", "SMILES:CC(=O)O[C@H]1C[C@@H](C(C)C)C(C)(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNJDZEGRBLGELV-KTPMKYHASA-N", "SMILES:CC(=O)OCC(COC(C)=O)[C@@H]1C[C@H](OC(=O)c2ccc(C#N)cc2)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1095259", "category": ["biolink:ChemicalEntity"], "name": "TAUROACIDIN A", "xref": ["InChIKey:HXXOFJVFKMAZGM-BAQGIRSFSA-N", "SMILES:N=C1N=C(NCCS(=O)(=O)O)/C(=C/C(O)CNC(=O)c2cc(Br)c(Br)[nH]2)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4575427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRBHFTJDRVHSST-WTKPLQERSA-N", "SMILES:N=C1N=C(NCCS(=O)(=O)O)/C(=C/C(O)CNC(=O)c2cc(Br)c[nH]2)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4531006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITKTAJHKVYGTC-ZZXKWVIFSA-N", "SMILES:N=C1NC(=O)/C(=C2/CCNC(=O)c3[nH]c(Br)c(Br)c32)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4539558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQVVTJSMBYUHC-QPJJXVBHSA-N", "SMILES:N=C1NC(=O)/C(=C2/CCNC(=O)c3[nH]cc(Br)c32)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMUIGBUXYRLUTQ-ZNMUXNMSSA-N", "SMILES:NC1NC[C@H](O)[C@@]2(N1)[C@H]1[C@H](CN3C(=O)c4cc(Br)cn4[C@H]4NC(N)N[C@@]413)[C@H](CNC(=O)c1cc(Br)c(Br)[nH]1)[C@@H]2Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307456", "category": ["biolink:ChemicalEntity"], "name": "SCEPTRIN", "xref": ["InChIKey:YPZNLFZLPZWWAD-GWIYSAMLSA-N", "SMILES:Nc1nc([C@H]2[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H]2c2c[nH]c(N)n2)c[nH]1"], "chembl_natural_product": true}
{"name": "VIP peptides", "xref": ["CHEMBL.TARGET:CHEMBL5737"], "id": "UniProtKB:P01282", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSRLKTZBMVVLG-ZVGJLSCZSA-N", "SMILES:NC1=NC2C[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O)c3cc(Br)c[nH]3)[C@H](c3nc(N)c[nH]3)C2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBAETXFFCOZOY-UHFFFAOYSA-N", "SMILES:N=C1NC(=O)C(=C2CCNC(=O)c3[nH]c(Br)cc32)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5289025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGXOKKVNYCADF-CKFRAZHBSA-N", "SMILES:Cn1cc(Br)cc1C(=O)NC[C@@H]1[C@@H](CNC(=O)c2ccc(Br)[nH]2)CC2N=C(N)NC2[C@H]1c1c[nH]c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYYYGOTXIBTRRU-YAVSXTQASA-N", "SMILES:Cn1c(Br)ccc1C(=O)NC[C@H]1CC2N=C(N)NC2[C@@H](c2c[nH]c(N)n2)[C@@H]1CNC(=O)c1cc(Br)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUNKMUOKHJWKD-ANUTTWNQSA-N", "SMILES:Cn1cc(Br)cc1C(=O)NC[C@H]1CC2N=C(N)NC2[C@@H](c2c[nH]c(N)n2)[C@@H]1CNC(=O)c1cc(Br)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXKGAOLVQSFSM-PMKPFYNHSA-N", "SMILES:Cn1cccc1C(=O)NC[C@H]1CC2N=C(N)NC2[C@@H](c2c[nH]c(N)n2)[C@@H]1CNC(=O)c1cc(Br)c(Br)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYQVLLGFVSBRU-GGNBWVDQSA-N", "SMILES:Cn1cc(Br)cc1C(=O)NC[C@H]1CC2N=C(N)NC2[C@@H](c2c[nH]c(N)n2)[C@@H]1CNC(=O)c1cc(Br)cn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGWZGNLGXNONMX-PBAWDLSSSA-N", "SMILES:Cn1cc(Br)cc1C(=O)NC[C@H]1CC2N=C(N)NC2[C@@H](c2c[nH]c(N)n2)[C@@H]1CNC(=O)c1cc(Br)c(Br)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOOCMNMQARFFEM-PBAWDLSSSA-N", "SMILES:Cn1c(C(=O)NC[C@H]2CC3N=C(N)NC3[C@@H](c3c[nH]c(N)n3)[C@@H]2CNC(=O)c2cc(Br)c[nH]2)cc(Br)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKLBUICVOFNOR-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc(Cl)cc1)c1cc(Br)c(Br)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJOZFAFEQVQFJI-BXKVDMCESA-N", "SMILES:NC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJOZFAFEQVQFJI-VANKVMQKSA-N", "SMILES:NC[C@H]1N[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFYHYHZGDNWFIF-BXKVDMCESA-N", "SMILES:OC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL312653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFYHYHZGDNWFIF-KVTDHHQDSA-N", "SMILES:OC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVOJPDDTVFNFJ-ZLUOBGJFSA-N", "SMILES:CN1C[C@H](O)[C@@H](O)[C@@H]1CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPRDLJPBMXGMH-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccn(CC2CC2)c(=O)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQUFHKLYMTASK-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc(C)n(CC2CC2)c(=O)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJGLVFDLKSUWDD-UHFFFAOYSA-N", "SMILES:CCc1cc(CN(CC)c2ccc(F)cc2)cc(=O)n1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAGMWVCUGXLOJH-UHFFFAOYSA-N", "SMILES:CCCc1cc(CN(CC)c2ccc(F)cc2)cc(=O)n1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBDJBRHKKWTTAR-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc(=O)n(CC2CC2)c(C)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWITCDCPMNONO-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc(C)n(CC2CCC2)c(=O)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGIGAYPQXQSHGW-IRXDYDNUSA-N", "SMILES:CCN(Cc1cc(C)n(C[C@@H]2C[C@H]2C#N)c(=O)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGIGAYPQXQSHGW-IAGOWNOFSA-N", "SMILES:CCN(Cc1cc(C)n(C[C@H]2C[C@@H]2C#N)c(=O)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTAJNKKGYDNHS-HZPDHXFCSA-N", "SMILES:Cc1cc(Cc2cccc(Cl)c2)cc(=O)n1C[C@H]1C[C@@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPHDSQOXGPWEK-HZPDHXFCSA-N", "SMILES:Cc1cc(Cc2cccc(Br)c2)cc(=O)n1C[C@H]1C[C@@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETRMVOJZJWDLM-VXGBXAGGSA-N", "SMILES:Cc1cc(Cn2nc(Cl)cc2Cl)cc(=O)n1C[C@H]1C[C@@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKDDVCIQXLNTPS-VXGBXAGGSA-N", "SMILES:Cc1cc(Cn2nc(Br)cc2Cl)cc(=O)n1C[C@H]1C[C@@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPKSTKHRFWJTKK-VXGBXAGGSA-N", "SMILES:Cc1cc(Cn2nc(C(F)F)cc2Cl)cc(=O)n1C[C@H]1C[C@@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBQGRSQHMPSJW-VXGBXAGGSA-N", "SMILES:Cc1cc(Cn2nc(C(F)(F)F)cc2Cl)cc(=O)n1C[C@H]1C[C@@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXXVVFRFYFCXRO-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc(C)n(Cc2ccccc2)c(=O)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEKUOCRSJJSHDK-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc(C)n(CC2(C#N)CC2)c(=O)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYUUFYSJXHARCD-UHFFFAOYSA-N", "SMILES:CCN(Cc1cc(C)n(CCCC#N)c(=O)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDXOXTYCRPSFT-QZTJIDSGSA-N", "SMILES:Cc1cccc(Cc2cc(C)n(C[C@H]3C[C@@H]3C#N)c(=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATYEQBHVVOPSV-QWDLEPIUSA-N", "SMILES:CCCCCCCCS(=O)(=O)NC[C@@]1(C)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)CNS(=O)(=O)CCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATYEQBHVVOPSV-OYHZZYGJSA-N", "SMILES:CCCCCCCCS(=O)(=O)NC[C@]1(C)O[C@@H]2CO[C@H]3N2[C@@H]1O[C@@]3(C)CNS(=O)(=O)CCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGLKYUWVUJLNM-QUUXKOAQSA-N", "SMILES:CC(C)(C)OC(=O)NC[C@]1(C)O[C@@H]2CO[C@H]3N2[C@@H]1O[C@@]3(C)CNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGLKYUWVUJLNM-YXPJTWJFSA-N", "SMILES:CC(C)(C)OC(=O)NC[C@@]1(C)O[C@@H]2CO[C@H]3N2[C@@H]1O[C@]3(C)CNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATYEQBHVVOPSV-ZFXZZAOISA-N", "SMILES:CCCCCCCCS(=O)(=O)NC[C@@]1(C)O[C@@H]2CO[C@H]3N2[C@@H]1O[C@]3(C)CNS(=O)(=O)CCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQNDQDCTACIFE-LZQZFOIKSA-N", "SMILES:C[C@]1(CNS(C)(=O)=O)O[C@@H]2CO[C@H]3N2[C@@H]1O[C@]3(C)CNS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBCAQSXYNFWMCM-DUQPFJRNSA-N", "SMILES:CCCCS(=O)(=O)NC[C@@]1(C)O[C@@H]2CO[C@H]3N2[C@@H]1O[C@]3(C)CNS(=O)(=O)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOVKGSQHZMKGG-OXGONZEZSA-N", "SMILES:CCCS(=O)(=O)NC[C@@]1(C)O[C@@H]2CO[C@H]3N2[C@@H]1O[C@]3(C)CNS(=O)(=O)CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUCXWLKBSYEXDX-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2nnc(Nc3ccc(Oc4ccnc5ccccc45)cc3)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWMHEXQDMAAWAX-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVRKMBMIOAEBBG-UHFFFAOYSA-N", "SMILES:Nc1cccc(Oc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFAVGNFNCCNPJM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Oc2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZMLTCHACLHQJF-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(Oc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOJLQQTTZWDAEB-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(Oc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDYSZJMRAQBSSP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(Oc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQYXJQWNJSFFCR-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTNEFGQXYICBZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(OC)c(Oc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQCLAZBHTFSDOP-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OC)cc(Oc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRDISPWOPFJNH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYLDWYSXWOEVKX-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccnc3ccccc23)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPEDLJVLXDQLQO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(OC)cc(Oc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXYSZTHOPAVNIW-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)=O)cc(Oc2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCSWLXZYAHMDCY-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccnc3ccccc23)cc(-c2nc(C)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROZLUGXTULRLN-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccnc3ccccc23)cc(-n2cccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLUQLGRRZDQSEC-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccnc3cc(Cl)ccc23)cc(-n2cccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQAVKYLMMUOKBH-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccnc3cc(OC)ccc23)cc(-n2cccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBQWVJHVFZRNSR-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccnc3ccc(OC)cc23)cc(-n2cccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSEVDZBLIATGTD-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccnc3ccc(F)cc23)cc(-n2cccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQYEXQLBYQVEV-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)cc(-n2cccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDDNEQGMGWYFO-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(Oc3cc(OC)cc(-n4cccn4)c3)ccnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCOSNBDUWRHIX-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)=O)cc(Oc2ccnc3ccc(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMPZNSKODXAZEC-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)=O)cc(Oc2ccnc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEYJYUIQNAWAMM-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)=O)cc(Oc2ccnc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYYCPWGJLRGGQ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)=O)cc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWSFYDQCDJRMZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(Oc3cc(NC(C)=O)cc(OC)c3)ccnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVARIYLSKVWCHN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347597", "category": ["biolink:ChemicalEntity"], "name": "ASNUCICLIB", "xref": ["InChIKey:GAIOPWBQKZMUNO-UHFFFAOYSA-N", "SMILES:CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1"], "synonym": ["Asnuciclib", "Asnuciclib", "Asnuciclib", "CDKI-73", "CDKI73"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGCBAVYVPIXMRK-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGXNOGFTOVLMEN-UHFFFAOYSA-N", "SMILES:CN(c1cc(-c2ccc(N)nc2)cnc1Cl)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDXCKRVXHGWQJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(N)nc3)cnc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLXVEXFNKKHDA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(-c3ccc(N)nc3)cnc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGFKHXBTHKHMAV-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNCGENAWKFRCG-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHARCAKMRAVLEB-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnc(Cl)c(N)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYJYMGEQUZGJK-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc(Cl)nc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIPKWOYAZYHGU-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnc(Cl)c(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWGBFDDMYKSAL-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(-c2ccc(N)nc2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXJFQBEPQZELJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJBGYVCCVOFUPO-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVEQCNSUZQPKAZ-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUARMIDOOMLJAX-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITTLOVMLDJLFJK-UHFFFAOYSA-N", "SMILES:COCCNC(=O)Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLIFBXIMXDDON-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1ccccc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVHEWBHMIYLPE-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1ccccc1F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCGYFFLSKVLGG-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1cccc(F)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADALICFHUBRUES-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1ccccc1C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNCGRKJFZYSNRE-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMKWAMPMNHASD-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1ccccc1OC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUJSCULKPZUQRS-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)CNC(=N)NC(=O)NC)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWYZGPTFCZWJA-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1cccc([N+](=O)[O-])c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHCJHYPNJWBOI-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1ccc([N+](=O)[O-])cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFPLUYNQOOAOTQ-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1NC(=O)CNC(=N)NC(=O)NC.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWGBJIFEYPWQFY-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1cccc(C(=O)O)c1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGUMHJXHDKPSX-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1ccc(F)cc1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJCAHXOXQXRQL-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1ccccc1C.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJELTCBDXCQLLA-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCC(=O)Nc1ccccn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZCWMITUAJSAT-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCc1cn(CCCC(=O)N2CCCCCCCC(=O)OCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLRLFPWNIFXLDB-UHFFFAOYSA-N", "SMILES:N/C(=N\\S(=O)(=O)c1ccccc1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMOADPAOVDGIGI-GOSISDBHSA-N", "SMILES:CN(C)[C@@H](CO)CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULXWADVAFWDGY-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIJFBZLNOBZWKH-FQEVSTJZSA-N", "SMILES:CN(C)[C@@H](CO)C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFXXYIQPMCNNG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMQBZIOEYROBSY-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBCUSQZLEJMJAZ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWHNUFAVICQFDT-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)C(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDVUADRCLFCSE-QHCPKHFHSA-N", "SMILES:N[C@H](C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDVUADRCLFCSE-HSZRJFAPSA-N", "SMILES:N[C@@H](C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNCZJZOCXITOY-QHCPKHFHSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKIPXUIXSVLEU-VWLOTQADSA-N", "SMILES:CN(C)[C@H](C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWFEJKSCFZXAU-DEOSSOPVSA-N", "SMILES:CS(=O)(=O)N[C@H](C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZSWAOQPXWXKK-VWLOTQADSA-N", "SMILES:CC(=O)N[C@H](C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVIQEGYNUHPVFH-FQEVSTJZSA-N", "SMILES:CC(C)[C@H](N)C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBESLMKMYHHHGK-QFIPXVFZSA-N", "SMILES:CC(=O)N[C@H](C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQHKKONLBBODO-UHFFFAOYSA-N", "SMILES:NC(C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECWICUWYPXULP-UHFFFAOYSA-N", "SMILES:CC(=O)NC(C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTNFBOZQIDGRW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTJUYMAUOOXRM-UHFFFAOYSA-N", "SMILES:NC(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZJURPEIYCXDX-UHFFFAOYSA-N", "SMILES:N#C/N=C(\\N)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKPGJRESYIJJU-UHFFFAOYSA-N", "SMILES:NC(=O)/N=C(\\N)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJUBQRFSGIPEJ-UHFFFAOYSA-N", "SMILES:CC(=O)/N=C(\\N)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEVKJVYAKIUCZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)/N=C(\\N)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTKYBXZVSFBHIT-UHFFFAOYSA-N", "SMILES:CCN/C(=N\\S(C)(=O)=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUPIVDPXNDNSPB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)/N=C(/NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)NCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSDXYMXUEAWLKS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)/N=C(\\NCc1ccccc1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHJRBYMKHPMVNH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)/N=C(\\NCc1ccccn1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMALIBWCWOFAQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)/N=C(\\NCc1cccc(Cl)c1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTWQORMGHKZJQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)/N=C(/NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)NCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOYLIGZEMNLSLK-XMMPIXPASA-N", "SMILES:CS(=O)(=O)/N=C(/NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)N[C@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBGHCGLOBQIZEA-UHFFFAOYSA-N", "SMILES:N/C(=N\\S(=O)(=O)C1CC1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPPQKCKTGZCRY-UHFFFAOYSA-N", "SMILES:N/C(=N\\S(=O)(=O)C1CCCCC1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KODASOIUALQPMM-UHFFFAOYSA-N", "SMILES:N/C(=N\\S(=O)(=O)Cc1ccccc1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUVKNVWERFHPCO-UHFFFAOYSA-N", "SMILES:N/C(=N\\S(=O)(=O)c1ccncc1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMSKUSFWBMGIQ-UHFFFAOYSA-N", "SMILES:N/C(=N\\S(=O)(=O)c1cccs1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWJFBRPNXXJUPT-UHFFFAOYSA-N", "SMILES:Cn1ccc(S(=O)(=O)/N=C(\\N)NCc2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJIJVZLFKNEGW-UHFFFAOYSA-N", "SMILES:N/C(=N\\S(=O)(=O)c1cccc(F)c1)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYCFNPVWBPQOP-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)/N=C(\\N)NCc2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWBJPSNKAZZBQS-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(C2CCC2)CCN1Cc1ccc(-c2ccccc2F)nn1"]}
{"name": "L-amino-acid oxidase", "xref": ["CHEMBL.TARGET:CHEMBL5291590"], "id": "UniProtKB:Q96RQ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMFGRAMCJHYBND-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2cccc(F)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJXWYHAEAYADEC-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(C2CCC2)CCN1Cc1nnc(-c2cccc(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISFOQFNKBKVYAH-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(C23CC(C2)C3)CCN1Cc1ccc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHHMHHGKHLQZHP-KDURUIRLSA-N", "SMILES:O=c1c(=O)n([C@H]2C[C@@H](c3ccccc3)C2)ccn1Cc1nnc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUIMGNRFAJWJJM-UHFFFAOYSA-N", "SMILES:O=c1c(=O)n(C2CCC2)ccn1Cc1cc(-c2ccccc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLCGLZFDVGXYDV-UHFFFAOYSA-N", "SMILES:O=c1c(=O)n(C2CCC2)ccn1Cc1ccc(-c2ccccc2F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLHTKWQOWCTCG-UHFFFAOYSA-N", "SMILES:CC(c1cnc(-c2ccccc2)cn1)N1CCN(C2CCC2)C(=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFYQRPCAVAIDSH-UHFFFAOYSA-N", "SMILES:O=c1c(=O)n(C2CCCC2)ccn1Cc1nnc(-c2cccc(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUCNCJOMQSYXPI-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(C2CCOC2)CCN1Cc1ncc(-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVJXSKUNOKZTL-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(C2CCCC2)CCN1Cc1cc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDRUDQPVNYREKP-UHFFFAOYSA-N", "SMILES:O=c1c(=O)n(C2CCCC2)ccn1Cc1cc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDAXITXCTFMUDL-ONXXMXGDSA-N", "SMILES:O=C1C(=O)N(C2C[C@@H]3C[C@@H]3C2)CCN1Cc1ccc(-c2nccs2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLRLWMREMQUHMY-UHFFFAOYSA-N", "SMILES:O=c1c(=O)n(C23CC(C2)C3)ccn1Cc1cc(-c2cccc(F)c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJUWGHYRRPQMKH-MOTFGSSMSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXOABFVHRPYTSQ-VYFZMQNCSA-N", "SMILES:CCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCc2cc3cc(c2)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)O)CSC3"]}
{"name": "Albumin", "xref": ["CHEMBL.TARGET:CHEMBL4817"], "id": "UniProtKB:P02770", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Albumin", "xref": ["CHEMBL.TARGET:CHEMBL6104"], "id": "UniProtKB:P49065", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHJYHLHLAUSMRR-GHGQQIAASA-N", "SMILES:Cc1cccc(OCc2cn(CCCC[C@@H]3NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCNC(=O)c4cnc(N5CCOCC5)c(N)c4)NC(=O)[C@H](CCCCNC(=S)Nc4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCNC(=O)c4cccc(Oc5ccccc5)c4)NC(=O)[C@H](C)NC3=O)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSJPZMJFIILMS-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(I)cc1)NCCCCC(NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUOIRLEFGBIDH-YQQUIGGJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H]1CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUMYLCZRWGRTSX-QXLZSXQBSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGQYMMEDQZFPR-SSEXGKCCSA-N", "SMILES:O=C(CCCc1ccc(I)cc1)NCCCC[C@@H](NC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GITVQUOQRHRGQQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1271705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLBWCHTGHQPMA-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDZQKBRQBIPYRX-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN1CCN(CCOC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRPXKGFSKFBQC-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMOTWKYHIGXFY-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRDDJWNSVSLZSN-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYNJTGGFRJZTTH-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFLHHBTALZTMI-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN(C)CCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBUXURHSVQYFN-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN(C)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXSVMYETJWPJF-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZHWWYPUQYIZCL-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCFLUDSZIBEAB-SANMLTNESA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCC[C@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCFLUDSZIBEAB-AREMUKBSSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCC[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFVJOPWLXIGNO-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZWCGDYHVIAEI-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(CCCN1CCOCC1)Cc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVLZGSGXJDZIPR-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCN(CCOC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIQQEASYCSFTBJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCNCc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFYFGINDSGHDR-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNJWZRQHYJISF-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(CCN(C)C)Cc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JESLMFCDDXPVAC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOHPZFOZHREKH-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXMCSDCNXCWIMX-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN(C)CCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXIVZHBIPWDCC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJHUVAVJIWESCC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZTUTIRJBODVLE-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZZWUMXCXBSHE-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULMLROHZCOFFO-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCN(C(=O)OCC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUEZMCCALJINEA-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPISGLOWKAPJDW-RUZDIDTESA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CC[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFOPGQSOBAJKR-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMFRJKPGXIZWQR-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCN(S(=O)(=O)CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMMVHLTGHKTQC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBBBQYACGRFSU-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCC(N(C)C(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGRORCYIFMENB-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCN(CCOC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBWWJSVWFPTHKO-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCC(C(=O)OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHLGTJMHFABRG-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCC(CC(=O)OCC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQCJXYOLFCQCPI-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIFSDUTJZSBIF-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCCN(S(C)(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTDBMWAVSHBXLP-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN(C)C1CCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKKUGWLZOSBPF-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCNCc1cccc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNGSKBPMJPNNHX-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRCBLXATGGVOSD-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(CCCN(C)C)Cc1cccc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNDBQFXVGURBRT-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(CCCN(C)CC)Cc1cccc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGSEIHDXHABOX-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN(C)CCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYELJQHYJPWKJF-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN(C)CCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJAWGACGYZYPMN-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN(CCC)CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMFOKLPGZXENMC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN(CCO)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWOLOFZTTCIWID-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFUVSVAVKQWEK-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGUFCFYFAWDHN-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLGCVOZDVOPEF-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLGCVOZDVOPEF-XMMPIXPASA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CC[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWOXMDNIYMGQOK-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQXTVHRCQZZAN-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(CCCN1CCOCC1)Cc1cccc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCYLAFWKSCNQJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(CCCN1CCN(C)CC1)Cc1cccc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWZNBKGILTYAFG-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN(C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQCJCHZZNACPN-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDCIVZYYLNRWKQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFNSDIZGZSYDIN-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCC(C(=O)N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPSQMBSUJEGDG-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCC(OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJLNLDUBFNGHF-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLVCCDRLAQAGJL-PSWAGMNNSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1C[C@@H](C)O[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POYMPHUOVQTFDS-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMGEAGTAXWLDI-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCN(CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXSIWJTOFOUSC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCN(CCOC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFKHVBWUZHSDDI-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGLKBNHAXHIQL-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCN(S(C)(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAUYNVHQOSFRLI-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STJGQFRCYRHPOW-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSVNZKPJGBFOI-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAULLZBVVPFBRV-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXZAVYYTUSDRDT-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCCN(C(=O)NCC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUFASIGMJWTGDQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(C(=O)OC)c1)C(=O)CN1CCCN(S(C)(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZEQIZYCEYZRRR-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCNCc1cccc(OCC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXABKAVBPBYBQ-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCNC(=O)Cc1cccc(CC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZHMMVUCDGBBOT-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCNC(=O)Cc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFMDRXOBFRPNIK-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCNCc1cccc(CC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPDLDLMCGOPQT-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGPSUUCDVRBHQ-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUQWLQBFZLXNLL-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADMVTAYTLGWNMQ-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN(C)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQKFFLMHTYUFX-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CCC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMJRJGIVBTRJC-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONPVEZKIOABPU-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)S(=O)(=O)c1cn(C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWFKHJODHKTFG-AREMUKBSSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN1CCC[C@@H]1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAPAUPMTRQPUOA-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYRLAQZCQZFTDU-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSFSXGQJZXQJW-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN1CCN(CCCN(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTIVBPEXUAPPD-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN1CCCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSYEPNXYFTHBO-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCNCc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURQKZCOEUNYNX-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQBGUQLUSBADZ-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CSC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLDENHNDNBENH-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN(C)CCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMECBZLEILSIMU-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTADTBBDBDQNC-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRDLKCDMKHDEZ-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKTUONANKVUFFD-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCCC(c2ccc(S(C)(=O)=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBDJKBDVUHIHD-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCC(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOUQNYJPWKMAF-NRFANRHFSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(C)c1CCCNCc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYYSVFDVLUWSSB-DEOSSOPVSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBJQWBZUWGOLK-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMQLPEYHRWYHKP-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOVBLKANPCWDJ-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC(C)(C)CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZABNXKJHIPDN-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYYKPSIXVXRLJH-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLRUZOQUXMGDS-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GISXEBIPMHPZOX-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCN2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWIIWMNVKHWOR-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUCFJCTDXPLIY-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFVFLWNFMKNDS-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNXFTDZFOIOYHP-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCS(=O)(=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJUSUUSNSBJWMG-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCN(CCOC)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCBTNBISJVEMK-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHBBQJQZFDBSN-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJBVRNQINPTFRU-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCC2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAHLYRNZDNLHI-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCC(N(C)C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPQGDFIMNJFDAE-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQAXZWSLMXANH-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMNTNBSTRCWKC-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMNPBOQSEXIFDT-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCN2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTGWWJNPCNOBKY-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMRGREXQHLOXEC-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMVSYRYMESAHBX-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGSDJZLYFVSPHW-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWQJYAWHHVTCG-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHYUJDABQDCCFJ-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTBDABLNTBKPOJ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCO)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEDJKUWIHVYHM-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCO)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSFJKCHBPPPDNC-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCO)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZCKKOIBKLTZBS-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCc2scnc2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXIWMAAFKVAFF-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCS(C)(=O)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXARUMXIOCKEG-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHYIHVELBUKCN-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCN(C)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBUUCTYRHBFWBP-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCC(N(C)C)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBYGNLUEWJVOE-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCN(C)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPUDRNJVKURSZ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCCC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBDLBLLLGLBLIK-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFWDCEMUNCSYLF-INIZCTEOSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKMWFKVOJISTAK-HNNXBMFYSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJOGUHGFXYHIQ-HNNXBMFYSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTYFFCJKAZFEPU-INIZCTEOSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRAWREFTINNZCA-KRWDZBQOSA-N", "SMILES:CCCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVPRJIBEINZNX-KRWDZBQOSA-N", "SMILES:CCCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKRNYHYMUISKST-NRFANRHFSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCN(C)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAEPBXISIAKTPX-QFIPXVFZSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCN(C)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXADHRRCDAYERN-KRWDZBQOSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOEPUDGAHQZNLR-INIZCTEOSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZVNYLLPQXXKPA-INIZCTEOSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILGOZSKTAIFTC-KRWDZBQOSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBBFOMZZKFSBU-SFHVURJKSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZZVRSKTPRDHO-KRWDZBQOSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSGKWLJZBEPNR-SFHVURJKSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKSDOKQZYFTOU-QFIPXVFZSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXWXCDRCYHBRSZ-QHCPKHFHSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCN(C)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYTUBQJVRAPWTP-DEOSSOPVSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCC2CCN(C)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBYVYXTYCKQNLY-VWLOTQADSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCN(C)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKMYDUPUYAWYEG-QFIPXVFZSA-N", "SMILES:CCCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXYLDSTQUXYJP-QHCPKHFHSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMUWCRBRBXMRT-QHCPKHFHSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN2CCCC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXRUNJEPBUWFV-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Sc1ccc(CC(=O)OCC2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQIIPKEYHZMNV-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Sc1ccc(CC(=O)OCCCCN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCCSRKBSRKXDC-NRFANRHFSA-N", "SMILES:CC[C@H](O)CNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJCWGAFKPMAKIS-HNNXBMFYSA-N", "SMILES:CC[C@H](O)CNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNZWYMPRYTKEJ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1cc(CC(=O)OC)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUFSKWZCEBXHCJ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1cc(CC(=O)OC)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESHMLZUUOVDJG-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1cccc(CC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILWGDTWJBRESJ-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1cc(CC(=O)OC)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDKMQLSRZDIQV-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1cc(CC(=O)OC)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSDGRSBYBKKDBX-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1cccc(CC(=O)OCCCCN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVVODMWZXRQIJ-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1cccc(CC(=O)OCC2CCN(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFWCPUMFWQQEE-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(C)c1Cc1cc(CC(=O)OCC2CCN(C)CC2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARIXSQXEVRBVDG-UHFFFAOYSA-N", "SMILES:CCCCCNc1nc(N)nc(C)c1Cc1cccc(CC(=O)OCCCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVDUUJNDGWZQD-INIZCTEOSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1cc(CC(=O)OC)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFCWXMJIAIXSKI-INIZCTEOSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1cc(CC(=O)OC)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUNCLYTSLEBLN-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC)c1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUNHOYYIBNMOI-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC)c1)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQKXIFMMWHAFDV-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC)c1)C(=O)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAGLFSGRIBUNSB-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC)c1)C(=O)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJFERGOWWZANQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC)c1)C(=O)CN1CCN(CCOC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSOQILIZBUTLU-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC)c1)C(=O)CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAHFXUIVBLPINY-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(CCCN1CCOCC1)Cc1cccc(OCC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKEOWAVICSKRMP-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(OCC(=O)OC)cc1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAMILGUBZWOED-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(OCC(=O)OC)cc1)C(=O)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJYXWFJWYEKIJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(OCC(=O)OC)cc1)C(=O)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHTQFJYGFSIYBV-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(OCC(=O)OC)cc1)C(=O)CN1CCN(CCOC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYCGHAJLJLJJP-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OC)c1)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGFIOGZQRHXTP-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OCC)c1)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKGGXGMHXTESX-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEYYLHFDWWCWIR-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1F)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDWASPGYYRUKEL-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OC)c1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUNLCDZUMCCEQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OCC)c1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJFJPODMQAFYAM-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZELFDJCJPVBCQM-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1F)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLRXRPWPBLHKPS-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OC)c1)C(=O)CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVBCGIKOSAGTR-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OCC)c1)C(=O)CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKGKVSCEFUAPND-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1)C(=O)CN(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVBVIVQKXUBDGB-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKZZUQDPEDAXLS-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCNCc1cccc(OCC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSCFDKGYWRKOS-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC)c1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXZBAFSWGGESC-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEKAZMVPWTVDO-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC)c1)C(=O)CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHIRCCVFPCOLQ-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC)c1)C(=O)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZZKKNHOITYDS-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDBPCTUBQZEGGT-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUUFTAUHRKDWAM-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAPMIHAQWGVSRD-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1ccccc1OCC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YINZYGCEBMFQLB-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccccc1CN(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSYFNPZRQGXXFY-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCAGKYHABOSISD-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1ccc(OCC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXYKXEDCCVVPCA-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHKWMCXFSQBNOF-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OC(C)C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBXGJOMOBDKGI-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)Oc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQULEGSEPFXJEX-UHFFFAOYSA-N", "SMILES:CCC(Oc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)c1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXIBWPCSSSKFCT-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(CC)Oc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZSUGHBUJWMQW-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OC(C)(C)C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJEHLIUKUZZTOF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)(C)Oc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLGHXSMPQNAHDC-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OC2(C(=O)OC)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBLKQRNHZYHBF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(Oc2cccc(CN(CCCn3c(CCOC)nc4c(N)nc5ccccc5c43)C(=O)CN(CC)CC)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBZDEQOUSAADMJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSVAGWQVPBTHV-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OCC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFWNKVUHCAYUIJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZRHZVQIHFVLN-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)COc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPCWGZIJZUZXFB-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OCCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAXFVIWQNEOKZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OCCOC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUKHWCWIYUHQHR-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGIMAFKVYXYVGO-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMTQZVKYMYRIOV-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOYOJIUVBVGFJN-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC(C)C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHLCBCWYHWYLER-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUXWTNHVRLCPFC-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1ccc(C)c(OCC(=O)OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXLUCWIKVPBEJH-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1ccc(OC)c(OCC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQLJJLMNJQXBPT-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUNDZCGIYOLYFY-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1ccc(OC)c(OCC(=O)OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKZECWRWBZSQV-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOULPIRVDBSMDA-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC(C)C)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSLQAJUCLZPNH-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZADVEJDLSXEGP-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC(C)C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMQELOKUQJECB-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1ccc(F)c(OCC(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBIMLIJIGCILL-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEXCBCBRSJJXPJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1ccc(F)c(OCC(=O)OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTJZPGUJTZAFSS-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cc(F)cc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODGPQJXETPEDHO-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OC)c1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHSXUWKSZKUJRQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)(C)Oc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XADQZSIZCUNNDK-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVSNZZPOAEODW-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC2CCCC2)c1)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCQEAAKSXAJGJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(C)C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPXCLHUPZEOQN-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1F)C(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPXHIHTKFKJFM-UHFFFAOYSA-N", "SMILES:CCN(C)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OC(C)(C)C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNNDBMKUHXGOG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)(C)Oc1cccc(CN(CCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(C)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYPJCAPSBONGM-UHFFFAOYSA-N", "SMILES:CCN(C)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSBYRWVIBJMEV-UHFFFAOYSA-N", "SMILES:CCN(C)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQWNMQQAVRHLKP-UHFFFAOYSA-N", "SMILES:CCN(C)CC(=O)N(CCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC(C)C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBYUURHSHVCMGQ-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1)C(=O)CN(C)CCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBCMXAKYFJFNQ-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OC)c1)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZUKAXABNOVAB-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OCC)c1)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGIKENMGRYTJHS-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLYBSCCWQEBMY-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1F)C(=O)CN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKIKZCVJFFAQKZ-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OC)c1)C(=O)CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSFRHRCEWVZOC-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OC(C)(C)C(=O)OCC)c1)C(=O)CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHBBQHZZUQSLV-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1cccc(OCC(=O)OC(C)C)c1)C(=O)CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCBKOSBZIEZHF-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cccc(CN(CCCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)NCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVUAPLXEKDLOAM-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cccc(CN(CCCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)NCCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWMYJKGUXIFHMZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cccc(CN(CCCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)NCCCN2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOPLHECLWXWDII-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccc(CN(CCCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)NCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGCUNFWRBYIOG-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cccc(CN(CCCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)NCCN2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNIVANXMXIWMS-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(Cc1ccc(F)c(OCC(=O)OC)c1)C(=O)NCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYJMGZWBZDLRDE-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cc(CN(CCCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)NCCN2CCCCC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHAOADBZSTXBHG-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(Cc1ccc(F)c(OCC(=O)OC(C)C)c1)C(=O)NCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUUGNCPQKWTKNF-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1cccc(CN(CCCCn2c(CCOC)nc3c(N)nc4ccccc4c32)C(=O)CN(CC)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJCOCDSMZTRNL-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMVNBFLPBKAWRC-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)N(CCCCn1c(CCOC)nc2c(N)nc3ccccc3c21)Cc1cccc(OCC(=O)OC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEBWFDPUIMCTDL-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(CCN(C)C)Cc1cccc(OCC(=O)OC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBLOCXKBHPSOCB-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(CCN(C)C)Cc1cccc(OC(C)(C)C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMFKDZAMRZHNZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)(C)Oc1cccc(CN(CCCCn2c(CCOC)nc3c(N)nc4ccccc4c32)CCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOUSGSWLRQSOKA-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(CCCN1CCOCC1)Cc1cccc(OCC(=O)OC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URWCJXUFUIUVIE-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(CCCN1CCOCC1)Cc1cccc(OC(C)(C)C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHRPZICMPHCBF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C)(C)Oc1cccc(CN(CCCCn2c(CCOC)nc3c(N)nc4ccccc4c32)CCCN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQLRCTMJGXJPGG-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3cc4ccccc4cc3c2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOGDQFJDIGVBD-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(N)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHERYBKKMGQKJO-UHFFFAOYSA-N", "SMILES:CCCCNc1cc2c(nc(CCCC)n2Cc2ccccc2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLWWKGHMMTWQO-UHFFFAOYSA-N", "SMILES:CCCCCCCNc1cc2c(nc(CCCC)n2Cc2ccccc2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXEGTCGMZZLLGC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCC3CCCCC3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFHTLIRGWRLIK-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(Nc3ccccc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWKAHZAKJZBPLY-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3ccccc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUYPLDXUZASYRE-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3cccc(OC)c3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWYZHGVEFGQQY-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3ccc(OC)cc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIFGPLPQVWCWAP-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3ccncc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPZFIDPUBPWDC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3cccnc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVXIKGVERCGBN-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3ccc(C(F)(F)F)cc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCFJGCFQMRBVPE-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3ccc(Cl)cc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEMZNRPZNUSGA-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3ccc(CN)cc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJXUCPNJWXALSN-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3cccc(CN)c3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTMSGRSAXILDJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3ccc(-c4ccccc4)cc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCNVUHWAQXJPS-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3ccco3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQIAUYPQIPIPBJ-UHFFFAOYSA-N", "SMILES:CCCCc1cc2c(nc(CCCC)n2Cc2ccccc2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZBKWZHSXJDPOS-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(Cc3ccccc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASRYWMVWFSQUEO-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(Cc3ccc(C)cc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPYAUPBYNLHCIN-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(CCc3ccccc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJIVIFDRJDEIG-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc(NCc3ccc(CNc4cc5c(nc(CCCC)n5Cc5ccccc5)c(N)n4)cc3)cc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYXUZFHABUMMBT-UHFFFAOYSA-N", "SMILES:Cc1nc2c(N)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDENTSZZTCBRAM-UHFFFAOYSA-N", "SMILES:CCc1nc2c(N)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBONJZGAWAMDRZ-UHFFFAOYSA-N", "SMILES:CCCCCc1nc2c(N)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRIPIWGHFQQNBF-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c(N)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLMDBAFMZFEDT-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2c(N)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZGJETZMHQPUSH-QMMMGPOBSA-N", "SMILES:CC[C@H](C)c1nc2c(N)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BASXVIHNZRUZNQ-VIFPVBQESA-N", "SMILES:CC[C@H](C)Cc1nc2c(N)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIHGPNYYJZEIIK-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2sc(CCC(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOWMCPSFUNODQZ-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2sc(CCCC(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWUJLHZQANQJV-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(N)nc3ccc(N)cc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJCXEODRRPPSM-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(N)nc3ccc(N=[N+]=[N-])cc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZXKLUTGNICEM-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(NC(=O)CN=[N+]=[N-])nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZSSOOVDCOFBMW-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(NC=O)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOHTAAOUORPQF-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(NC(=O)CCC)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXADAQUQILHTD-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(N)nc3ccc(-n4cc([Si](C)(C)C)nn4)cc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQWQEDCJGWEDQ-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(NC=O)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMHCQNNPCJRNF-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1nc2ccccc2c2sc(CCC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLWEXGJFYQUPT-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(NC(=O)CCN=[N+]=[N-])nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWSYAQOCYGWTMI-UHFFFAOYSA-N", "SMILES:C#CCCC(=O)Nc1nc2ccccc2c2sc(CCC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJBBOVVGQSRSQX-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(NS(C)(=O)=O)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWFQKVVXQBUMPK-UHFFFAOYSA-N", "SMILES:CCCc1cc2ccnc(N)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2419274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMJIIIUNYCEJB-UHFFFAOYSA-N", "SMILES:CCCCc1cc2ccnc(N)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYAIFZYFIXJEDE-MRVPVSSYSA-N", "SMILES:CCCC[C@H](CCO)Nc1nc(N)nnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVRHZNUNGWMJAZ-LLVKDONJSA-N", "SMILES:CCC[C@H](CCO)Nc1nc(N)nnc1OCc1nccc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSTPVHDXAPPYDI-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUYXKMVIIUJGB-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nnc1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHBVDINDVCXES-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nnc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSUKFCRBRJMOJN-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nnc1OCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOTPTFGFVXPNIX-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nnc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJSCXMHKKWNJW-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nnc1OCc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBGAALBOWXQTB-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nnc1OCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZYPGBNYJYXCP-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nnc1OCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBNNHRSODKXNR-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nnc1OCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMFTUYVBADJDMG-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nnc1OCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWGSZWLZNYKIEF-UHFFFAOYSA-N", "SMILES:COc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPNGFVNYPJAEQ-UHFFFAOYSA-N", "SMILES:CCOc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXSHLJDNGIMKQK-UHFFFAOYSA-N", "SMILES:CCCOc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASJHNZIAAPRGU-UHFFFAOYSA-N", "SMILES:CCCCOc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRKSKSMMNIFHSO-UHFFFAOYSA-N", "SMILES:CCCCCOc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSWICTKSUOKPJM-UHFFFAOYSA-N", "SMILES:CCCCCCOc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFVFPPBPIWEEPY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXTQQVOOZUSZRE-UHFFFAOYSA-N", "SMILES:CC(C)COc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OREOJGBOSKGFGH-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWADUOSJBYTTM-JTQLQIEISA-N", "SMILES:CC[C@H](C)COc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRMCQJBCBGRCP-UHFFFAOYSA-N", "SMILES:CCCCNc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APRQEGXYKOMOAW-UHFFFAOYSA-N", "SMILES:CCCCSc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTBKVYBYWJXII-UHFFFAOYSA-N", "SMILES:CCCCc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJXVWBEFJAKBY-XBXARRHUSA-N", "SMILES:CCC/C=C/c1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHACKZHSNIUCE-UHFFFAOYSA-N", "SMILES:C=CCCCc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWGJHOARKFCHO-UHFFFAOYSA-N", "SMILES:CCCC#Cc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URQRLLTXMDOYIZ-KRWDZBQOSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CN(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUHZNWYTLXOOW-INIZCTEOSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CNC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGRLNIJQGISLG-KRWDZBQOSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CNCCO)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQVGFXCVIZLMIA-KRWDZBQOSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CNC2CNC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKWSLFSPUHKZDG-SFHVURJKSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CNC2CN(C)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBQMSIEMFICBN-IBGZPJMESA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCNCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLIQPGAAQEIJG-KRWDZBQOSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CNC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKRFNKOSOBSBZ-SFHVURJKSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CNCCO)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBBOPAJLXDVWRG-KRWDZBQOSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CNCC(N)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWTRETGULSEMEN-SFHVURJKSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(C)CC(N)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEOGEOUVZCHPJR-SFHVURJKSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CNCCC(N)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHTDVLDKYWFTLX-SFHVURJKSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CNC2CNC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQHMNKRSBEMFP-IBGZPJMESA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CNC2CN(C)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDURUMYRHZUMBX-IBGZPJMESA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(Cn2ccnc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHUJDNCOIXZID-FQEVSTJZSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCNCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIWQFSUTINCTLM-IBGZPJMESA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYZLMSOQHQKEN-FQEVSTJZSA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCN(C)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXVNBVBMOIBASW-IBGZPJMESA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(C)CCO)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKKRILNXYFZBK-FQEVSTJZSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(C)CCOC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOWRFMVVWKQFDF-FQEVSTJZSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIDIXJDVWRUNFL-NRFANRHFSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCN(C)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSPXAGJNHITIS-QMMMGPOBSA-N", "SMILES:CCCC[C@@H](CO)Nc1nc(N)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMDGIQUJSYPMLF-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCCC4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQZSHLNAMNPHW-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(C#N)c(Cc3ccc(CN4CCCC4)nc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUILBHIPKYGNRS-KXFIGUGUSA-N", "SMILES:COc1ccc2cc1O/C=C\\CCOc1nc(N)c3nc(O)n(c3n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOBJAFVULRBQHH-RQOWECAXSA-N", "SMILES:COc1cc2cc(c1)O/C=C\\CCOc1nc(N)c3nc(O)n(c3n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDTXVYHARLYCAO-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(C#N)c(Cc3cnc(CN4CCCC4)s3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECLFMPOPJHUCX-UHFFFAOYSA-N", "SMILES:Nc1nc2nc3c1nc(O)n3Cc1ccc(-c3ccc(CNC4CCC4)cc3)c(c1)OCCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDHABOCDSLGAB-UHFFFAOYSA-N", "SMILES:OC(c1ccccc1)c1cccc(OCc2ccc3ccccc3n2)c1"]}
{"name": "Polyunsaturated fatty acid 5-lipoxygenase", "xref": ["CHEMBL.TARGET:CHEMBL312"], "id": "UniProtKB:P12527", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJSGEVFYKLAOJ-UHFFFAOYSA-N", "SMILES:O=C(O)CSC(CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16596", "category": ["biolink:ChemicalEntity"], "name": "QUIFLAPON", "xref": ["InChIKey:NZOONKHCNQFYCI-UHFFFAOYSA-N", "SMILES:CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12"], "synonym": ["Quiflapon", "L-686708"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMINOYFQBBLFJK-XMMPIXPASA-N", "SMILES:O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORFXHLULHFGLK-UHFFFAOYSA-N", "SMILES:CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2ccc(C(C)(C)O)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOLSNOSGOARORW-UHFFFAOYSA-N", "SMILES:CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1ccc(-c2ccc(C(C)(C)O)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHPXXQTCNXVAA-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(C(C)(c3ccc(-c4ccc(C(C)(C)O)nn4)cn3)C(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFUNDAOPJSBNBX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cnc(N)cn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYUMEDTWYFCGN-UHFFFAOYSA-N", "SMILES:Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3688401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXONKUBZFICRAY-UHFFFAOYSA-N", "SMILES:Nc1cnc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3688423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYLVAELNTHKHTI-GFCCVEGCSA-N", "SMILES:C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2036163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSOFSWHYZCGXSL-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZAKHCVNJSYQOI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(C#N)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVANLGQSPHWGFY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(F)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLHEVNYTPWDPF-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccccn2)nc2cc(-c3cnc(N)nc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHOIMQJPKQMMX-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2ccc(Cl)cc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3678309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYPFFFMAECCKFQ-UHFFFAOYSA-N", "SMILES:CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(OC(F)(F)F)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKVRWYJUDBEJB-RRPNLBNLSA-N", "SMILES:Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(C)CC5)cc4F)c3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWHSXTWGWGULU-UHFFFAOYSA-N", "SMILES:O=C(O)c1noc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKMXKXGFKLFDRV-MFKMUULPSA-N", "SMILES:C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1c(=O)[nH]c2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYUXLQMAEBVNBP-RISCZKNCSA-N", "SMILES:C[C@@H]1CCN(C(=O)C(C)(C)C#N)C[C@@H]1n1c(=O)[nH]c2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMASMODATALSAD-CJNGLKHVSA-N", "SMILES:C[C@@H]1CCN(C(=O)N2CCCCC2)C[C@@H]1n1c(=O)[nH]c2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCNULYRSWVMPIQ-DOMZBBRYSA-N", "SMILES:C[C@@H]1CCN(C(=O)N2CCOCC2)C[C@@H]1n1c(=O)[nH]c2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYAASZBFDPOUNO-MFKMUULPSA-N", "SMILES:C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1n1c(=O)[nH]c2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQGZZJLHCOKLX-WBMJQRKESA-N", "SMILES:C[C@@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1n1c(=O)[nH]c2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXDIOBVQGQLUNH-RISCZKNCSA-N", "SMILES:C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1ncc2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQVAOELSLJXOMB-DOMZBBRYSA-N", "SMILES:C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1ccc2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIKUSMBQDBTBQ-WBMJQRKESA-N", "SMILES:C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1cc(C#N)c2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJRXQYMTPLADK-WBMJQRKESA-N", "SMILES:Cc1cc2cnc3[nH]ccc3c2n1[C@H]1CN(C(=O)CC#N)CC[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZVRMSUBHGEID-DOMZBBRYSA-N", "SMILES:C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCESKDMHCIHXHC-DOMZBBRYSA-N", "SMILES:Cc1c[nH]c2ncc3ccn([C@H]4CN(C(=O)CC#N)CC[C@H]4C)c3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQVAOELSLJXOMB-SWLSCSKDSA-N", "SMILES:C[C@H]1CCN(C(=O)CC#N)C[C@H]1n1ccc2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3593592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKPWJJSXCPIAQF-RISCZKNCSA-N", "SMILES:C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1c(=O)n(C)c2cnc3[nH]ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCZOEWZYLOZOQU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQCRQEJXMNDRFQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCMQKCVEKESHL-UHFFFAOYSA-N", "SMILES:CN1Cc2nn(C)c(C#N)c2-c2cnc(N)c(c2)OCc2cc(F)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNUBOQVVIAMPSG-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2c3c1COc1cc(O)cc(c1-3)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL562498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHEGXSNCDUBUFA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCc1cc(O)cc(OC)c1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL445285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNSVKSSCLHOSW-TWGQIWQCSA-N", "SMILES:COc1ccc(/C(=C\\F)CN)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLZBHTKLBLETSU-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(Cl)cc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL56918", "category": ["biolink:ChemicalEntity"], "name": "GEIPARVARIN", "xref": ["InChIKey:OUTLLBZGJYDUQE-XYOKQWHBSA-N", "SMILES:C/C(=C\\COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL79512", "category": ["biolink:ChemicalEntity"], "name": "4-PHENYL-BUTYLAMINE", "xref": ["InChIKey:AGNFWIZBEATIAK-UHFFFAOYSA-N", "SMILES:NCCCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMBHPIIINCMWLR-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1cccc(C(=O)NC2CC(C)(C)N([O])C(C)(C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHCLZPMHIJGROI-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1ccc(C(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMSWKQZBOVGMV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPEJWUGAQDQTIT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHAQHPQWIZMARH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(C)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL417566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLFAQNPOQRERLJ-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKJCGNVWKXVSH-UHFFFAOYSA-N", "SMILES:CCCc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQTWSPDXOECBQ-UHFFFAOYSA-N", "SMILES:O=CN(C=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGYRIOMUQXYGQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1ccccc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQKBGKQRPRGRRD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1ccccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFFCGIHWRMWZSS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1ccccc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL66260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJVREKILBJXJJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDJHNJSBPXRITJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WATKOIAPIUQRLV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQHVCVHQVBYZCO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2c(O)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYUGWKZSMKZCQN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cc1NC(C)=O)S(=O)(=O)c1ccccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL220116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQFUSNKIZWHOA-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWCYHUWSHCXNRR-MRVPVSSYSA-N", "SMILES:COC[C@H]1CN(n2cccc2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRBQVCIDSDTGK-UHFFFAOYSA-N", "SMILES:N#CCCn1nnc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL434261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRQMAVAOSMPTQ-UHFFFAOYSA-N", "SMILES:N#CCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL145760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQQMCPMRGQMXQX-UHFFFAOYSA-N", "SMILES:OCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL141933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBIOEMCLRCGAK-UHFFFAOYSA-N", "SMILES:OCCn1nnc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQWLMRXWKZGLFI-QMXRTTGVSA-N", "SMILES:Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZXQKWIYTNJLDC-UHFFFAOYSA-N", "SMILES:O=c1ccoc2ccc(Oc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL111309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKYAFAQLVOQDG-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3ccccc3)cc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZJTVJGTZQRCHE-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c2cc(Oc3ccccc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHRYPTWOLJCAG-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCCc3ccccc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKOZFQYRRVLDS-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3cc(F)cc(F)c3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVUUTOUXLZZNQA-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3ccc(Cl)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAIPPRYRUKGVPD-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3ccc(F)c(F)c3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHRPUOKUBRYYKI-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3ccc(F)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL18966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFXMBTYRNXLMV-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL109018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYAGHNCHSVGMMO-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3cccc(Cl)c3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJZBERLEOSMIT-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3cccc(F)c3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL320251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKMBYPRUDNQPPA-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3cccc(N)c3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL111310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYCEYYGXGCVJT-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL107488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRZWGPLUSPXHR-UHFFFAOYSA-N", "SMILES:Cc1c(C)c2ccc(OCc3cccc(O)c3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL107541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKGSGOFYXVKOX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZUNARGJTUDCF-UHFFFAOYSA-N", "SMILES:Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCNDLZDRNVPCH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nnc(-c3ccc(C(F)(F)F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467590", "category": ["biolink:ChemicalEntity"], "name": "GETIACAULEIN", "xref": ["InChIKey:WYOSCUWDVFHQFY-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(OC)c(O)ccc3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXLPYFTYGLSOFA-FZDIXFNVSA-N", "SMILES:COc1cc(O)cc(O[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c1C(=O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHPOJMSCYFEOI-RUGDWHBFSA-N", "SMILES:O=C(c1cc(O)cc(O)c1)c1c(O)cc(O)cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5284697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVMMIRHEPDXURO-IFFRBHTFSA-N", "SMILES:O=C(c1cc(O)cc(O)c1)c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc(O)cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSHJLWFYLYSAX-ZPUQHVIOSA-N", "SMILES:O=C(/C=C/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSWHNTPMGZKIOB-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(Oc2ccccc2C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPZKERMNVCALKE-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMZSGIXLQPFAC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2[nH]ccc2c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIDGWNYRJHLRQ-RKNFKSDXSA-N", "SMILES:COc1cc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)C4CC(=O)O)cc3)[C@H](N)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDBIMFUTZHJHS-QQIMVSQYSA-N", "SMILES:O=C(O)[C@H]1C[C@@H]1CCC12CCC(c3cccc(Oc4ccccc4)c3)(CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUVXDRGIWJVKCP-UCQKPKSFSA-N", "SMILES:COc1cc(/C=C2\\SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWSTFJBTNBUIO-QRVIBDJDSA-N", "SMILES:Cc1cc(OCc2ccc(C(=O)O)cc2)ccc1/C=C1\\SC(=S)N(Cc2ccc(C(=O)O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVBZMGMQZDLNPA-UHFFFAOYSA-N", "SMILES:Oc1cc(Cc2cc(O)c(Br)c(Br)c2Br)c(Br)c(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWLFJZCQFJOHDB-UHFFFAOYSA-J", "SMILES:O=C(c1cccc(CN2CCCN(Cc3cccc(C(=O)C(F)(F)P(=O)([O-])O)c3)CCN(Cc3cccc(C(=O)C(F)(F)P(=O)([O-])O)c3)CCCN(Cc3cccc(C(=O)C(F)(F)P(=O)([O-])O)c3)CC2)c1)C(F)(F)P(=O)([O-])O.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTNDDBQFYZERX-MDFPHDTDSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CCC2C3CC=C4C(C)(C)c5c(cnn5-c5ccc(F)cc5)C[C@]4(C)C3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFOCLOPXHFEIE-XOKHGSTOSA-N", "SMILES:N[C@H]1C[C@@H](N2CC3=C(C2)CS(=O)(=O)C3)CO[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZCCSFUUPVABE-UHFFFAOYSA-N", "SMILES:NNc1nc(NN)nc(N2C(=O)CSC2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWCVHBBNMWBSE-UHFFFAOYSA-N", "SMILES:O=C(CNc1nc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc(N2CCOCC2)n1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JASKIAKXFGASHC-UHFFFAOYSA-N", "SMILES:O=c1[nH]ncn1-c1ccc(-c2ccc(N3CCNCC3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSQMMLQWAVWRCW-UHFFFAOYSA-N", "SMILES:CSc1ccc(COc2ccc(-c3ncc(C)c(N4CCN(c5ncc(OCC=C(C)C)cn5)CC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXVZXDPRNGAOE-ZCFXJLACSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1521269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDXAMDACTCRGAO-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCXLOIITHWYDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCCO)c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBZZBMPISQHWBG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCc4nnn[nH]4)c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQSZVNJWWRJXNQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCO)c3)o2)cc1"]}
{"name": "Fructose-1,6-bisphosphatase 1", "xref": ["CHEMBL.TARGET:CHEMBL4391"], "id": "UniProtKB:P19112", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1196711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJZLLDDYQTGGH-ZHACJKMWSA-N", "SMILES:CN(C)CCCN(C)c1nc2cc(Cl)c(Cl)cc2nc1/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDTWKXAPIQBOMO-MRXNPFEDSA-N", "SMILES:CCCc1c(C(C)C)cc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FERQLFCMFYPMKU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2c(CBr)cc(OC)c(OC)c2Br)c(Br)c(Br)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSHJJPIWVLRDNE-ODIFPOPNSA-N", "SMILES:CC#CCN1C(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)=NC2N=C3N(C)C(=O)CN3C(=O)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAQRPCKTDGZDPR-QGZVFWFLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c(C)c(=O)n(Cc3nc(C)c4c(F)cccc4n3)c(=O)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWGWWKTAPZKPA-QGZVFWFLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c(C)c(=O)n(Cc3nc(C)c4c(Cl)cccc4n3)c(=O)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTPYPUUVNUVMX-GOSISDBHSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2nc(C)c3cc(C)ccc3n2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQOLTTZVROOXIF-BURHJUHKSA-N", "SMILES:CC#CCN1C(N2CCC[C@@H](N)C2)=NC2C1C(=O)N(Cc1cccnc1C#N)C(=O)N2Cc1cccnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPBOQQJDNRKEL-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(OCc2cccc(CN3CCc4oc(C5CC5)nc4C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBMJHYCVGXVXJA-NRFANRHFSA-N", "SMILES:COc1ccc(F)c(-c2ncc(COc3ccc([C@@H](CC(=O)O)C4CC4)cc3)nc2OCCC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVUTSJXFBAJEE-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1ncc(-c2cc(-c3c(Cl)cc(OC)cc3Cl)nc(-c3cnccn3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2070619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XACSASLXEAYEEO-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(-c2cc(-c3cnc(NC(C)=O)s3)nc(-c3cnccn3)n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPARZIDECMHGW-UHFFFAOYSA-N", "SMILES:CCCNc1ncc(-c2ccncc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTJEEKHACVRND-UHFFFAOYSA-N", "SMILES:CCCNc1ncc(-c2ccncc2-c2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBENURGLPWKCQB-UHFFFAOYSA-N", "SMILES:CCCNc1ncc(-c2ccncc2-c2ccccc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJLHJQTBQSODA-UHFFFAOYSA-N", "SMILES:CCCNc1ncc(-c2ccncc2-c2ccccc2C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRMJTYJTRIGVMG-UHFFFAOYSA-N", "SMILES:CCCNc1ncc(-c2ccncc2-c2ccc(OC)cc2C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHZLYXIMKGBQIA-UHFFFAOYSA-N", "SMILES:CC(C)CNc1ncc(-c2ccncc2-c2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEILKKPQMAHYIV-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1cnccc1-c1cnc(Nc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDBOFPHPMYWDO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnccc2-c2cnc(Nc3ccc(O)cc3)s2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURJEHNDMPZCCY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnccc2-c2cnc(C(=O)C(C)C)s2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLYBRRHNJXSSSZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnccc2-c2cnc(C(=O)C(C)C)s2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIEHRBYQUAJZPW-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMNGABKTBLAQL-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CCN(C)C)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVVRYOORUQDIX-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(C(=O)NC(C)C)c4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYAIYACPTUHNX-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(N3CCC(C(=O)Nc4cccc(OC(=O)N(C)C)c4)C(C)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYAIYACPTUHNX-BUSXIPJBSA-N", "SMILES:Cc1c[nH]c2ncnc(N3CCC(C(=O)Nc4cccc(OC(=O)N(C)C)c4)[C@@H](C)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDUMDYQFHRPXEL-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(N3CCC(C)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOOROEDYUBEHOH-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTNBFFMIICAFJ-UHFFFAOYSA-N", "SMILES:CN(C)C1(C(=O)Nc2cccc(-c3ccccc3)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQXFHZXFOXVCFA-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1cccc(NC(=O)C2(CN)CCN(c3ncnc4[nH]c5c(c34)CCCC5)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSWZDIKQFDCBGM-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1cccc(NC(=O)C2(CN)CCN(c3ncnc4[nH]c5c(c34)CCC5)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGOZASAFXOVMV-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1cccc(NC(=O)C2(CN)CCN(c3ncnc4[nH]c5c(c34)CC(F)CC5)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGVCKLINBSYTQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)C2(CN)CCN(c3ncnc4[nH]cc(C)c34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXIGAYGUDGBPOS-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(c3ncnc4[nH]cc(C)c34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKAKGPYRNHXPDK-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(c3ncnc4[nH]c(C)c(C)c34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZIZYTUIRQMBPN-UHFFFAOYSA-N", "SMILES:NC(=O)c1sc2ncccc2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGMDJFPPNVPECO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHGDXMYVQKSBO-UHFFFAOYSA-N", "SMILES:COCCN(C(=O)Nc1ccc(-c2ncnc3[nH]c(C)c(C)c23)c(F)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFFVLCZIIWJVNO-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(C(=O)NC(C)C)c4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTIZUGMLLPZUBY-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(C(=O)CO)CC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccc(C3CCN(C(=O)CO)CC3)cc2OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXDIRJCYNAWBOS-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCN(C(C)=O)CC3)cc2OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL589630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNWZKSBXLQWJOE-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2c(F)cccc2F)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCIPDIKAMTTAD-UHFFFAOYSA-N", "SMILES:CCCCCn1c(C)c(Br)c(C(=O)c2cccc3ccccc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL56904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMBUEWQJDGKGS-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL318723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYCWBUDSPOTODB-SMDDNHRTSA-N", "SMILES:C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYADPUQVZFJTEM-RBUKOAKNSA-N", "SMILES:O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccc(F)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNLDQPKTBRWAF-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1C(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJLISCOLSUHGG-IAGOWNOFSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLONETYZDCELL-MRXNPFEDSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccc(F)cn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJWDUYBKAOXWIS-JKDDQTOVSA-N", "SMILES:CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccn3nccc3n2)C2CCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXKHZYNSINIHQT-FZNWDQQTSA-N", "SMILES:CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVPFDOUKZBWJF-UHFFFAOYSA-N", "SMILES:OCCCNc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFYXVUTQRIGCH-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1F)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMWNGSGLJVRMTB-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHOPDOPALILDJ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1I)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFRGFRPDJRMHG-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(NCCCN3CCOCC3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSYGJGUZGAYSR-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(NCCN3CCOCC3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPRUYVFDUSSJDN-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1Cl)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKUKAOOBSUNFI-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1[N+](=O)[O-])NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1346687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTAOUIIDZHRJHI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACURXHTVFMDCM-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc(Br)c1)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMDAOTWMGQJDD-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Br)cc1)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJNOIRJJRFYAB-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2ccccc12)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTNAIZHKYJDNK-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAAXWTANFBKWOO-UHFFFAOYSA-N", "SMILES:O=C(COCc1ccccc1Br)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYQOAWUFUFQHO-UHFFFAOYSA-N", "SMILES:O=C(CSc1ccccc1)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFWHSMZHLIODN-UHFFFAOYSA-N", "SMILES:C=CCCn1c(CCNC(=O)COc2ccccc2Cl)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYJHTQIXXYVVHV-UHFFFAOYSA-N", "SMILES:CC(=O)n1c(CCNC(=O)COc2ccc(Br)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVAXLDKPGZSWRK-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2ccccc2c1Br)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFRNTHGPRGCNS-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1Br)NCCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1078675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKAPLBODOAMOB-RLRPEEDVSA-N", "SMILES:Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDXYMNVGDWCBE-LVIRPZHPSA-N", "SMILES:CCOC(=O)/C=C/[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4242650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDXYMNVGDWCBE-FPDIGDQTSA-N", "SMILES:CCOC(=O)/C=C/[C@@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4251480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYNZPHYKPPZBFB-MSTCJZGASA-N", "SMILES:CCOC(=O)/C=C/C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4245127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEBPGJFXXVRICE-OMAOVEBHSA-N", "SMILES:CCOC(=O)/C=C/C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISLRZADXFYSET-QGHQMRJLSA-N", "SMILES:CCOC(=O)/C=C\\C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL528696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMBPMAAMRHSTEU-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(NCc3ccccc3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGLBILIYIVOHI-UHFFFAOYSA-N", "SMILES:CCCNc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZAWFBMWULVFBQ-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccnc2cc(Cl)ccc12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQCVOKWATJURDZ-SFHVURJKSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUHYPWOELKBVCM-MISYRCLQSA-N", "SMILES:COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)[C@H](C)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXWGXGDISFIGS-HNNXBMFYSA-N", "SMILES:N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Br)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIKSAQBGMZFSRV-IEWVHIKDSA-N", "SMILES:CCCC[C@@H](C(=O)Nc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1)n1cc([C@@](C)(NCc2ccccc2)C(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMCLGDSRQIYGH-IEWVHIKDSA-N", "SMILES:CCCC[C@@H](C(=O)Nc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1)n1cc([C@@](C)(NCc2ccc(F)cc2)C(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCIAGDGYYQCPD-CMVGPNDKSA-N", "SMILES:CCCC[C@@H](C(=O)Nc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1)n1cc([C@@](C)(NCc2ccc(OC)cc2)C(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSKVRMRFUSWZHL-YTWZBVJHSA-N", "SMILES:CCCC[C@@H](C(=O)Nc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQJDOSXXFFLDFZ-UBOZLPQGSA-N", "SMILES:CCCC[C@@H](C(=O)Nc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1)n1cc([C@@](C)(NCc2ccc3ncsc3c2)C(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEDDIBAIWPIIBD-XQOGOWKJSA-N", "SMILES:O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3093492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVIHXSCDINRQJE-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(OC)c(OC)ccc3oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5282121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNMVOPXKKWCJHT-UHFFFAOYSA-N", "SMILES:COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3093478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOXYHGOIRWABTC-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL361025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUNZBRHHGLJQW-UHFFFAOYSA-N", "SMILES:O=c1c2cc(O)ccc2oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPQKAFKFDCXTR-UHFFFAOYSA-N", "SMILES:COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGKYKCGVKMAQK-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5276460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDNRUYLVCVQQH-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(OC)ccc(OC)c3oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRRHFFQNVXIKF-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(OC)ccc(OC)c3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL187043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVOUOPDWADMVBA-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)cc(O)cc2oc2ccc(O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALWFXBDNUMSZJP-ZMKOKQNLSA-N", "SMILES:COc1cc(O[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c2c(=O)c3ccc(O)c(OC)c3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPQXRORFMPZBTB-VAFSHSMTSA-N", "SMILES:O=c1c2c(O[C@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc(O)cc2oc2ccc(O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLIUXPJHVQKKI-ZEVATSHXSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(O)c(O[C@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)ccc3oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMZXBPFTUGCLL-NNOUCZNASA-N", "SMILES:COc1cc(O)c2c(=O)c3c(O)c(O[C@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)ccc3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYHXNIDUQPYRD-HRXUQERBSA-N", "SMILES:COc1cc(O[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c2c(=O)c3c(OC)c(OC)ccc3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1709767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHHWNXPFWRHUMZ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3704820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUECEVJMPDNNHT-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL26323", "category": ["biolink:ChemicalEntity"], "name": "DECUSSATIN", "xref": ["InChIKey:VYRIGRQQKUZPEX-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(OC)c(OC)ccc3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL187044", "category": ["biolink:ChemicalEntity"], "name": "GENTIAKOCHIANIN", "xref": ["InChIKey:BDBVOZGRVBXANN-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL184574", "category": ["biolink:ChemicalEntity"], "name": "DEMETHYLBELLIDIFOLIN", "xref": ["InChIKey:MPXAWSABMVLIBU-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3093493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOESAHHPMBOZJU-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(OC)c(O)ccc3oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2409395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COOBKIBQQIIVKX-YBJOZTBGSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)ccc3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLVPZRKLHQVFP-MMWSJNTDSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)ccc3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLZWLOJKDVNEQC-GQUFLPFZSA-N", "SMILES:O=c1c2c(O)c(O)ccc2oc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZPRERNBNKYMD-ZMKOKQNLSA-N", "SMILES:COc1cc(O)c2c(=O)c3cc(O[C@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)ccc3oc2c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSNBZJDNUYTCSF-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3c(OC)cc(O)cc3oc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3334708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWHBLFVASSGIJ-NJBBEUCNSA-N", "SMILES:C[C@@]1(c2cc(F)cc(F)c2)CN([11CH3])C2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQLMRKLWOQAVAU-MGRRSFKLSA-N", "SMILES:CCC/C=C1/C(=O)O[C@@H](C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDXBSGFPBRWRF-BJHGEIEHSA-N", "SMILES:CCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUPAGDDJLZTHED-BJLXZBBLSA-N", "SMILES:CCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZPUMOPKMBNPC-ZWRVYWDGSA-N", "SMILES:CCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQLMRKLWOQAVAU-MMIQFEHNSA-N", "SMILES:CCC/C=C1/C(=O)O[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDXBSGFPBRWRF-CFHQGVHJSA-N", "SMILES:CCCCC/C=C1/C(=O)O[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJDQTLZAGPZQB-WBYKRSRGSA-N", "SMILES:C[C@@H]1OC(=O)/C(=C/CCCCCCCC/C=C2/C(=O)O[C@@H](C)[C@H]2O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJDQTLZAGPZQB-FBPJLDJHSA-N", "SMILES:C[C@@H]1OC(=O)/C(=C\\CCCCCCCC/C=C2/C(=O)O[C@@H](C)[C@H]2O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYMMGCVPVWRVOU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=NC#N)c2csc(-c3ccccc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1830231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXJOZZUCODVBKN-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2csc(-c3ccc4[nH]ccc4c3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZAMPDWKFNFFT-LIMNOBDPSA-N", "SMILES:FC(F)(F)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1821869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VODHFVQXNNHRCV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(F)cc3)C2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPVCBABCFLLSLU-LVWGJNHUSA-N", "SMILES:O=C(Nn1c(-c2ccc(Br)cc2)cs/c1=N\\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAADQZABURCMJD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(NC(=S)Nc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOPMGQMVQVTVMD-UHFFFAOYSA-N", "SMILES:O=C(NC1=NC2C(=O)NN=C(c3ccc(Br)cc3)C2S1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454067", "category": ["biolink:ChemicalEntity"], "name": "18alpha-GLYCYRRHETINIC ACID", "xref": ["InChIKey:MPDGHEJMBKOTSU-PMTKVOBESA-N", "SMILES:CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"name": "11-beta-hydroxysteroid dehydrogenase 1", "xref": ["CHEMBL.TARGET:CHEMBL2391"], "id": "UniProtKB:P16232", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKJBPMKFQZIISQ-BGBIVJGGSA-N", "SMILES:CC1=C2[C@H](C)[C@@H](C)O[C@]23O[C@H](C)[C@@H](C)O[C@@]3(O)CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVNNNYUCIGYPV-RFTYBOQRSA-N", "SMILES:O=C1/C(=C\\c2ccccc2C(F)(F)F)CCC/C1=C\\c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCOLEPFZYAVIO-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCC(C)(c3ccccc3)OC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLSMHOGJKAPYQU-QLXKLKPCSA-N", "SMILES:C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCO)(c2ccc(F)cc2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3664648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOAASIOGRPVFTI-QYBDOPJKSA-N", "SMILES:C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CCO)(c2ccc(F)cc2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3664717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNPQZGSVXLGGP-MMTVBGGISA-N", "SMILES:C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297286", "category": ["biolink:ChemicalEntity"], "name": "HSD-016", "xref": ["InChIKey:ZWASRJHIEFYJGL-BFUOFWGJSA-N", "SMILES:C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc([C@@](C)(O)C(F)(F)F)c1"], "synonym": ["Hsd-016"]}
{"id": "CHEMBL.COMPOUND:CHEMBL257590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNOYTDIICXQMFU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPRNGAPPNPYQQ-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)N2CCN(C)CC2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPTXLBULOAYVJZ-UHFFFAOYSA-N", "SMILES:Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2Cl)sc1CC(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMTZPKVOGGMRFE-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1nc(-c2sccc2Cl)cs1)c1cc(F)c(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYUTYUIHLDQAN-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICWXHBYNGUWUCV-UHFFFAOYSA-N", "SMILES:NC(=O)C12CC3CC(CC(NC(=O)CN4CCCN(c5c(Cl)cc(Cl)cc5Cl)S4(=O)=O)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXGMFIRHQMZBHJ-UHFFFAOYSA-N", "SMILES:O=C(CN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKDVPBHCFRRKN-UHFFFAOYSA-N", "SMILES:NC(=O)C12CC3CC(CC(NC(=O)C4SCCN4S(=O)(=O)c4ccccc4F)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVKYGRXZIUQQNI-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)C1NCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEFHANPSESBAGN-UHFFFAOYSA-N", "SMILES:CN(CC1(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)CC1)S(=O)(=O)c1ccccc1F"]}
{"name": "Hydroxysteroid 11-beta dehydrogenase 1", "xref": ["CHEMBL.TARGET:CHEMBL5227"], "id": "UniProtKB:Q56D22", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9544"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODIXLGYYWMJFS-XSRYCBBQSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)C[C@H]1c1c(O)cc(CCCCC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498672", "category": ["biolink:ChemicalEntity"], "name": "CANNABIDIOLIC ACID", "xref": ["InChIKey:WVOLTBSCXRRQFR-DLBZAZTESA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)O)c1O"], "synonym": ["Cannabidiol acid", "Cannabidiolic acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2103874", "category": ["biolink:ChemicalEntity"], "name": "OCLACITINIB", "xref": ["InChIKey:HJWLJNBZVZDLAQ-HAQNSBGRSA-N", "SMILES:CNS(=O)(=O)C[C@H]1CC[C@H](N(C)c2[nH]cnc3nccc2-3)CC1"], "synonym": ["Oclacitinib", "JAK-I", "JAKI", "PF 03394197", "PF-03394197", "Oclacitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2367481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIARLYUEJFELEN-ATANMQQVSA-N", "SMILES:C[C@]12O[C@@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5282343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLUWTAFWTTZGT-LJQANCHMSA-N", "SMILES:Cc1cc(Nc2ccc3nc(C)n([C@@H]4CCc5ccc(F)cc54)c3c2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1092926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPVXAOOVUAOKJ-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cccc3ncc(-c4cnn(C5CCNCC5)c4)nc23)cc(F)c1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297162", "category": ["biolink:ChemicalEntity"], "name": "MUPARFOSTAT SODIUM", "synonym": ["PI-88", "Muparfostat sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPXIIPGISNXVBH-PSPBERKPSA-N", "SMILES:O=C(O)CCC(=O)N(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2O1)Cc1cn(CCOCCO[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEKRDTKANYWWIO-LNAUIHLXSA-N", "SMILES:O=S(=O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C(C3O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]4O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]5OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]4OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]3O[SH](=O)(O)O)O[C@@H]2COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STVGNKQOIYIMAK-IFOJLSRYSA-N", "SMILES:CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL109482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWCSLQKDICNPER-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nc4ccccc4o3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKXAOEZFHYBNIV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccc(-c4ccc(F)cc4)cc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPSNHVROPAHLA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccc(-c4cc(F)cc(F)c4)cc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQDLLAHAAYBSSU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSUQVCWZKHNZTR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMLXRWLTJIRTN-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc4c(c3)OCO4)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHFHBWPQUVXBPG-UHFFFAOYSA-N", "SMILES:CNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc4c(c3)OCO4)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDJEYUFZWXLSX-UHFFFAOYSA-N", "SMILES:CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc4c(c3)OCO4)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFWYTWJAMYQILB-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(F)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUSLTWEBMCNOM-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABZPCLDWMUHRDM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQYNUZHKKUSPDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(Nc3ccc(-c4nc5ccccc5[nH]4)cn3)cc2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTSLHQKWLYYAC-GOSISDBHSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@@H](CO)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2349236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJPJHLDVPBDRH-RUZDIDTESA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)C1=C(OCc2ccccc2)[C@@H](CO)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZRZFJCKUHGMNS-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CNC(c3c(F)cccc3F)OC23CCCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRCFNZPKFHMAW-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CNC(c3ccccc3F)OC23CCCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPGQMHMQOEVAP-OBIJOHITSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC[C@H](O[C@@H]5O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]6O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]7O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]8O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]8OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]7OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]6O[SH](=O)(O)O)[C@H](OS(=O)(=O)O)[C@H]5OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIRVBLMVXTJJR-GSSMMVCYSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC[C@H](O[C@@H]5O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]6O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]7O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]7OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]6O[SH](=O)(O)O)[C@H](OS(=O)(=O)O)[C@H]5OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSWTNPEWMSTJM-YCXLYQHCSA-N", "SMILES:O=S(=O)(O)OC[C@H]1O[C@@H](O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1O[SH](=O)(O)O.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDCDXVFHPXELRB-LMIFLAFGSA-N", "SMILES:O=S(=O)(O)OC[C@H]1O[C@@H](O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1O[SH](=O)(O)O.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMVVVIFXRFKRAA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)cc3C(C)(C)C)c2)c1.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXBYQLRRWCWPX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)cc3C)c2)c1.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPHEXKGSAADEG-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)cc3CC)c2)c1.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMPNUNLCGMHFW-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccccc1C(=O)NCCCOC(=O)CCCCC1SCC2NC(=O)NC21"]}
{"name": "Heparanase", "xref": ["CHEMBL.TARGET:CHEMBL4295872"], "id": "UniProtKB:Q6YGZ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHLILKLIDPGCI-UHFFFAOYSA-N", "SMILES:CC1(C)CC(C)(c2cc(Cl)c(O)cc2O)Oc2cc(O)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJFXFFSYRXZKDQ-UHFFFAOYSA-N", "SMILES:CCCc1nn(C)c2c(=O)[nH]c(-c3cc(OC)cc(OC)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3800481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSICWGWNIOOULV-UHFFFAOYSA-N", "SMILES:CCOC(Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCEUOPAWORNCKN-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)OC)cc4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZDZZXHCHKJJS-CALCHBBNSA-N", "SMILES:COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPQETCVFWBCGA-NBJLRHFZSA-N", "SMILES:COc1ccc(-c2ccc3c(C4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPVOIKSYPEHFJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(=O)C(F)(F)F)cc1)N1CCOc2ccc(-c3cnc4ccccc4c3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZNYBHPZPGNIR-IBOPQAGSSA-N", "SMILES:COc1ccc(C2Cc3c(C)nc(N)nc3N([C@H]3CC[C@H](OCCO)CC3)C2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKXDOVJWDKHFEB-HNNXBMFYSA-N", "SMILES:C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NCC(F)F)cc2)cc(-c2cc(F)ccc2S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBENAUBFAHYDHO-HNNXBMFYSA-N", "SMILES:CCOC(=O)N1Cc2nc(-c3ccc(NC(=O)NC4CC4)cc3)nc(N3CCOC[C@@H]3C)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLPVLBNRGPOHA-AWEZNQCLSA-N", "SMILES:CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)C(C)(C)S(=O)(=O)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594371", "category": ["biolink:ChemicalEntity"], "name": "CEFTAROLINE", "xref": ["InChIKey:RGFBRLNVZCCMSV-BIRGHMBHSA-N", "SMILES:CCO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(N)n1"], "synonym": ["Ceftaroline", "T 91825", "T-91825"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHPEUXWCGZALU-ZSXZNSMSSA-N", "SMILES:C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc4c(c3)-c3ccc(C[n+]5ccn(C)c5)cc3C4=O)[C@H](C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWICYONKRAKFAQ-OUKQBFOZSA-N", "SMILES:N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHKIKKLAPGORW-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRKWGOZUTIEDFZ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2cc(C(=O)Nc3ccc(Br)cc3C(=O)O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGSWUJGMQSZNMP-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAGUKHFBYWJSW-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(C(=O)Nc2ccc(C)cc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETQFQDCOSMESO-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(C(=O)Nc2ccccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOOBYGOLNUCSH-KMFYNREBSA-N", "SMILES:COC(=O)C1=C[C@]2(C)C[C@@]34CC[C@@H]5[C@H](C=CC(=O)C5(C)C)[C@]35OC[C@]14[C@](C)(CC2=O)O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUILBFJFGUWXGF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSNUUAYHDXLGOA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHEBYSXJXPXZKN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQZGKOBMIMVGMG-XNIJJKJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYNCQDEEMNSRV-UHFFFAOYSA-N", "SMILES:COC1CC(C2OC3CC(CCC4CC(O)CC(O)C4)CCC3OC2CO)CC(OC)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1182191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIFDGAFLVKAPS-SFHVURJKSA-N", "SMILES:COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1182182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRCKSWXOWOMYII-KRWDZBQOSA-N", "SMILES:COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1182155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSZUJHYXCZAKI-AWEZNQCLSA-N", "SMILES:COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1182152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXRYWBZRATHBC-SFHVURJKSA-N", "SMILES:COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNFSMFOYMLNKR-BGWODGLRSA-N", "SMILES:COc1cccc2c1O[C@@H](CN1[C@@H]3CC[C@H]1C[C@](O)(c1csc4ccccc14)C3)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLJRJCSCDRLIJ-ZZXKWVIFSA-N", "SMILES:O=C(OCCn1c([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXBQQJVFXLLMQ-NTTJYTBOSA-N", "SMILES:CC1=C(C)C2C(c3ccc(Cl)cc3)=N[C@@H](CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)C4C(C)=C(C)SC4n4c(C)nnc43)c3nnc(C)n3C2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKEGXJXRNBALBV-PMCHYTPCSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAMRJLIOCHJMQ-FUJFOATJSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSLISZLPWSTIL-IWQFPCRVSA-N", "SMILES:CCC(CC)OC(=O)[C@H](C)N[P@@](=O)(CC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCZJRUJLHHLFV-UHFFFAOYSA-N", "SMILES:N#Cc1c(F)cc(O)cc1SCCS(=O)(=O)O.[NaH]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIRCMVHKWGGAHX-UHFFFAOYSA-N", "SMILES:CC(C)n1c2c(=O)c(-c3ccc(F)cc3)cc(=O)c2c2c(=O)c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKYKGKXRPBJJKE-UHFFFAOYSA-N", "SMILES:CC(C)n1c2c(=O)c(-c3ccco3)cc(=O)c2c2c(=O)c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZVZYKXLYYJYSO-UHFFFAOYSA-N", "SMILES:CC(C)n1c2c(=O)c(-c3ccccc3)cc(=O)c2c2c(=O)c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIHTJNJCDOGLQ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c2c(c1=O)c1c(=O)c3ccccc3c1n2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1967787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOZFLYYEKBTMP-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCCCC1c1c2ccc(=O)cc-2oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1578997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYKJANZYWVKGS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFIZXDVAUZHEC-UHFFFAOYSA-N", "SMILES:CC(SC1=CC(=O)c2ccccc2C1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQPMAEULEMJCMG-UHFFFAOYSA-N", "SMILES:CC1=C(SCCC(=O)O)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPLOQZFUUYECE-UHFFFAOYSA-N", "SMILES:CCSC1=C(C)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTCRCMIBIBLUOK-UHFFFAOYSA-N", "SMILES:COCCSC1=C(C)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMPJFZKNXELGQ-UHFFFAOYSA-N", "SMILES:CC1=C(SC(C)C)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXVNSXLESSQMA-UHFFFAOYSA-N", "SMILES:O=C(O)CSC1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNEAIJHYQCGCSC-UHFFFAOYSA-N", "SMILES:CSC1=C(SC)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLGWROLOWFOSKM-UHFFFAOYSA-N", "SMILES:CCCCOc1cc2c(c3c(=O)oc4ccccc4c13)C(=O)C=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPUTOLDOXKQRH-LSCVHKIXSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C\\c3cc(Br)c(O)c(Br)c3)c(=O)n2C1c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEDBEKHVODUNJ-IWIPYMOSSA-N", "SMILES:CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(-n4cc(CNC(=O)Nc5sccc5C(=O)O)nn4)cc3)c(=O)n2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFZFHLQBNISDI-VUOKYHFVSA-N", "SMILES:CCCCCCCCCCCC/C=C/[C@]12C(=O)O[C@]3(C)O[C@]4(C)OC(=O)C(=C[C@H]1CCCCCCCCCCCC)[C@@H]4[C@@H]32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOQMDNOGDRMMS-WWAGXHOFSA-N", "SMILES:C[C@@H](C[C@@H](O)C(C)(C)C=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL203823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZZIWIQTQNJDG-UHFFFAOYSA-N", "SMILES:CCCc1cc(O)nc(SCC(=O)NCCSCc2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJHTOMZWUIILB-UHFFFAOYSA-N", "SMILES:CN(C)CCNC1=CC(=O)c2nc(-c3cc(F)ccc3F)oc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUYOFGUEXWKLC-UHFFFAOYSA-N", "SMILES:Cc1nc2c(s1)C(=O)C=C(NCCN(C)C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJZYHMOPKHMMEN-HAVVHWLPSA-N", "SMILES:CCOC(=O)c1ccc(N2C(=O)/C(=C\\c3cccc(C)c3)SC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSHRPJNIFGBBQ-IBGZPJMESA-N", "SMILES:COC1=CC(=O)C=C([S@@+]([O-])c2ccc(C)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYVNXXVADUGIMR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CSC3=CC(=O)c4ccccc4C3=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KISDGNGREAJPQR-FESMNKHTSA-N", "SMILES:C=C[C@@](C)(CCC=C(C)C)c1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@@H](C(C)C)N2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5172923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KISDGNGREAJPQR-OICBGKIFSA-N", "SMILES:C=C[C@@](C)(CCC=C(C)C)c1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5284753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKAPGGFVVBCFAJ-MCQITGPESA-N", "SMILES:C=C[C@@](C)(CCC=C(C)C)c1ccc2c3c1NC(=O)[C@@]3(O)C[C@@H](CO)NC(=O)[C@@H](C(C)C)N2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYWSJDFNYQWKPV-GRZFZBLLSA-N", "SMILES:C=C[C@@](C)(CCC=C(C)C)c1ccc2c3c1NC(=O)[C@@]3(O)C[C@@H](CO)NC(=O)[C@@H](C(C)C)N2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3597332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZDRALHHNJQOTA-ZWMNDHQQSA-N", "SMILES:C=CCCC/C=C/C=C(\\C)CCCC/C=C/CC/C=C\\C(=O)NC(CO)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5219598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOAFDGKBAONSI-ZMYDTDHYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJSRCBJNYSQLT-CBDDOTRXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXXUVLAXMLVPGG-IDEQNZIDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMMBYDPVJVGKBP-YWMXUDJCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHXRRKOUIPRLD-NBXQFYRJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNKCIVFMRBBHQ-NBXQFYRJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCIFOHLDEXHTDZ-MLZZYOPDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCVDJDFGKZCWIL-LBCGAXKZSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMZPOYFUQSTXPC-XMOOFPFESA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NCC(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKHVFRVAAWNLMK-RGTCEIBVSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJOFQZEYQGZMB-KTKZVXAJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSPXJYVALVHTAJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBAUSYCHSXHDOA-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZPIOIZYQQAGO-FRIGAMKBSA-N", "SMILES:COc1cc(C(=O)NCCOCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)C3C(C)=C(C)SC3n3c(C)nnc32)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471504", "category": ["biolink:ChemicalEntity"], "name": "TRISTIN", "xref": ["InChIKey:KPFFMALTIRFAHW-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(O)cc(O)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5282250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSGGAWWVBQNLE-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2cc(O)c(O)c(OC)c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLYUUYZBUSBLJ-ZCYQVOJMSA-N", "SMILES:COc1cc([C@@H]2Oc3cc(CCc4ccc(O)cc4)cc(OC)c3O[C@H]2CO)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJHHORRHYKAJD-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cccc(O)c2)cc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMAVLFWVXOMGQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCc2cc(Cl)ccc2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMNPTZPSNHUERJ-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cc(OC)cc(OC)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL101078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIONWMVCBJBNIR-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(CCc2cc(O)cc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCWIYCBPSGCQRQ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CCc2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPAEDCATWOFMY-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2ccc(O)c(O)c2)cc(OC)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHWZFHNHAADBEJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2ccc(O)c(O)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRZRNRAYCSTKB-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2ccc(O)c(O)c2)cc(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5289196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLKKRKOBRNOID-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(CCc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGYSOTYCYZXEQZ-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(CCc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDHPAQIZOIVINE-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(CCc2ccc(O)c(O)c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTWBHJSLVUCPAX-UHFFFAOYSA-N", "SMILES:O=c1nc2c3c(ncn2[nH]1)Oc1c(c(=O)oc2ccccc12)C3c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTVCPJCTIVZLQJ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(-c5ccccc5)nn34)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCGZBCPPQUZSHH-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(Oc3ccnc(-c4nncn4CN4CCN(C)CC4)c3)c(F)c2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDAUXPNJBFIEPL-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nnc(-c2cccc(Cl)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJTUQCKXPMLJE-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nnc(-c2ccc(Cl)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2002786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIDPPAQOCSVKGA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(SCC(=O)O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJGWMESYKYEFFL-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZELLXRZXAPLIZ-UHFFFAOYSA-N", "SMILES:CC(Sc1nnc(-c2cccc(Cl)c2)[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYIYUOVNPIVBS-UHFFFAOYSA-N", "SMILES:CC(Sc1nnc(-c2ccc(Cl)cc2)[nH]1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKDDPMDJFJJCDW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVYVYNKLKWGMW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2nc(-c3ccncc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXPSUXKUVMEGIU-UHFFFAOYSA-N", "SMILES:CC1=NC2NC(CC(F)(F)F)=NN2C(Nc2ccc(C(F)(F)F)nc2)=C1"]}
{"name": "Bifunctional dihydrofolate reductase-thymidylate synthase", "xref": ["CHEMBL.TARGET:CHEMBL5291504"], "id": "UniProtKB:O02604", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5855"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOQWSTHKJNXWJE-UHFFFAOYSA-N", "SMILES:Cc1cccc(OCCNC(=O)n2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBWBRHGZOESPU-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2ccccc2c1Br)NCCc1nc2cc(Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1316091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMBZFKXYDBFYTC-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHXKIXREZYQDN-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(CCNC(=O)COc3ccc4ccccc4c3Br)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRUUGODGUBCZPC-UHFFFAOYSA-N", "SMILES:CCCCn1c(-c2ccc(Br)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTBFTIPDGAIPC-BIOIQHPWSA-N", "SMILES:COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCC(=O)Nc3ccc(OC[C@](C)(O)C(=O)Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)cc3)C(=O)C2)c(OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4862963", "category": ["biolink:ChemicalEntity"], "name": "BAVDEGALUTAMIDE", "xref": ["InChIKey:CLCTZVRHDOAUGJ-SYVGMNBRSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CN5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nn3)CC2)cc1Cl"], "synonym": ["Bavdegalutamide", "Arv-110", "Bavdegalutamide", "ARV-110", "ARV-110 (PROTAC)", "ARV110", "Bavdegalutamide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLYWIKUEZHTSD-RJFLEHBVSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCOCCOc2cccc(C(=O)c3csc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)n3)c2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVGYQGKJHVJHEF-UXACQRMVSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCOCCOc2ccc(O[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYTFCCDWUNJTEM-WCBAHRLQSA-N", "SMILES:CCCC[C@H](NC(=O)COCCOCCOCCNC(=O)c1cccc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCCC)c2)n(C)c(=O)n3C)c1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOPBMVGFMRLORF-UHFFFAOYSA-N", "SMILES:CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cc(Cl)cc(O)c2C(=O)OC)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3817887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWTUJWRRCTCSI-JXMROGBWSA-N", "SMILES:COC(=O)c1ccc(C(C/C=C/c2ccccc2)(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)n2nnc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWPQDTIETWJPSM-JXMROGBWSA-N", "SMILES:Cc1noc(-c2ccc(C(C/C=C/c3ccccc3)(Cc3ccc(C(F)(F)P(=O)(O)O)cc3)n3nnc4ccccc43)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRNDYUCUUOAGPJ-UHFFFAOYSA-N", "SMILES:COC(=O)C(O)c1ccc(NC(=O)CCCCn2cc(COc3ccc(-c4cc(C(=O)O)no4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUVFXYZUMMDDL-CPCREDONSA-N", "SMILES:CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVVRPRVMELWOLG-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNCVBDHXJTVDZ-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCQFYUCSUACPW-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDEMPEAMBWLXRC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZDWSIZSMHRZPZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATKHRGIHWVRSDI-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1cc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(C(=O)c2ccccc2)c2ccccc2)ccc1C(F)(F)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRIBWEDDPMECKZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)c(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTMVBQZDFMOIK-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOHRLFMQABOAO-UHFFFAOYSA-N", "SMILES:CCc1cc(Br)ccc1S(=O)(=O)N(Cc1ccc(C(=O)C(F)(F)P(=O)(O)O)cc1)Cc1ccc(C(=O)C(F)(F)P(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTFZNTFIXNYLQW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CN(Cc2ccc(C(=O)C(F)(F)P(=O)(O)O)cc2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)cc1)C(F)(F)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXSYEQCYSOWLNQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CN(Cc2ccc(C(=O)C(F)(F)P(=O)(O)O)cc2)S(=O)(=O)c2cc(F)ccc2F)cc1)C(F)(F)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTPZHSWVIEFTK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1S(=O)(=O)N(Cc1ccc(C(=O)C(F)(F)P(=O)(O)O)cc1)Cc1ccc(C(=O)C(F)(F)P(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBRZWYMWIZBMA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)C(F)(F)P(=O)(O)O)cc2)Cc2ccc(C(=O)C(F)(F)P(=O)(O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATKFLTNUWIUJFF-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1ccc(-c2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHRBQTPUPIICBC-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1cc(-c2nc3ccccc3s2)cc1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL138065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZHFYDENDULFV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cc(C(=O)c3ccc(OC)cc3)n(CC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPWCCFKELIMEO-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccn(-c2cc(F)c(O)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIFSLSUVLWGXCG-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCN1N=C2c3ccsc3CCC2CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIWTXILCCYSQIY-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)CCC1CC(=O)N(CCCCCC(=O)O)N=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCZUIWYXULSXSW-UHFFFAOYSA-N", "SMILES:O=C(O)COc1cc(F)ccc1C(=S)NCc1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTOGMJNIFXKCMS-UHFFFAOYSA-N", "SMILES:O=C(O)COc1cc(F)ccc1C(=S)NCc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QESNGQOYPRYUBI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ccc(Cl)cc2OCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTRDVRBVJGKWET-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ccc(Cl)cc2OCC(=O)O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLIGBZRXAQNUFO-UHFFFAOYSA-N", "SMILES:O=C(O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATJRPHWOUZQPIU-UHFFFAOYSA-N", "SMILES:O=C(O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJYPJDGRCZNDI-UHFFFAOYSA-N", "SMILES:Nc1ccc(CNC(=O)c2ccc(Cl)cc2OCC(=O)O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYSDZDKHKBTQI-OBGNSKAISA-N", "SMILES:CC(=C\\c1csc([C@@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CC2CCCCC2)n1)/C=C(\\C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CENMICNECJQEBB-UHFFFAOYSA-N", "SMILES:O=C1CC2(C(=O)N1)c1ccc(O)cc1C=Cc1cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSRQDJAXRQZHDJ-ODLFYWEKSA-N", "SMILES:COc1ccc2c(c1)C=Cc1cc(OC)ccc1C2/C=C1\\SC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOGJUUCCIUIEPW-UCQKPKSFSA-N", "SMILES:O=C(O)CNC(=O)c1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(F)c3)SC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQCGKRZXFCMSPP-IWIPYMOSSA-N", "SMILES:Cc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\\SC(=S)N(c3ccc(C(=O)NCC(=O)O)cc3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWGOUEWERSIJPY-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c(N(C)S(=O)(=O)C[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTWMSFNRYJPFLA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(Br)cc2c1NC=NS2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFPQPNUMWQRAO-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(Cl)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRUWEODDSHKUBR-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJUMYMTQYMSFZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)NCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPLPXPXGNIAGDJ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(C(F)(F)P(=O)(O)O)cc1)Nc1cc(NC(=O)CCc2ccc(C(F)(F)P(=O)(O)O)cc2)cc(C(=O)NCCc2ccc(C(=O)O)cc2)c1"]}
{"name": "Receptor-type tyrosine-protein phosphatase alpha", "xref": ["CHEMBL.TARGET:CHEMBL3918"], "id": "UniProtKB:P18433", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Receptor-type tyrosine-protein phosphatase F", "xref": ["CHEMBL.TARGET:CHEMBL2834"], "id": "UniProtKB:Q64604", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEKHDAAECLWTK-RUZDIDTESA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)Oc1c(Br)cc(-c2c3ccccc3c(Br)c3oc4ccccc4c23)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRKUSZKMXQVTQ-CYBMUJFWSA-N", "SMILES:Cc1oc2cc3sc4ccccc4c3c(-c3cc(I)c(O[C@H](C)C(=O)O)c(I)c3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL39626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPFPSGLWBHMGHX-XMMPIXPASA-N", "SMILES:Cc1oc2cc3sc4ccccc4c3c(-c3cc(I)c(O[C@H](Cc4ccccc4)C(=O)O)c(I)c3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBAKPPAEHFOGJA-UMSFTDKQSA-N", "SMILES:O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBMXYHRZRAJSKO-NBVRZTHBSA-N", "SMILES:C/C(=C\\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSJNHKLVZUNIDQ-HEHNFIMWSA-N", "SMILES:CCCC/C(=C\\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL265665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAPMONGQKOOBA-HAVVHWLPSA-N", "SMILES:CCCCCCCC/C(=C\\Cn1oc(=O)n(CC(=O)O)c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAPMONGQKOOBA-QJOMJCCJSA-N", "SMILES:CCCCCCCC/C(=C/Cn1oc(=O)n(CC(=O)O)c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRHUFVHJRMXAEO-OQKWZONESA-N", "SMILES:CCCCCCCC/C(=C\\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRHUFVHJRMXAEO-XLNRJJMWSA-N", "SMILES:CCCCCCCC/C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDUFNIMSVHDNLN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICWWKRYMMXHBLI-IAGONARPSA-N", "SMILES:O=C(O)/C=C/c1ccc(-c2nc(-c3ccc(C(=O)O)cc3)[nH]c2-c2ccc(/C=C/C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRHZCBIAKSOPP-UHFFFAOYSA-N", "SMILES:Oc1c(Br)cc(-c2ncc(-c3ccccc3)s2)c(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDVAXBZAHUCHR-XIFFEERXSA-N", "SMILES:CCCCCCCCc1ccc(-n2c(C)ccc2-c2ccc(O[C@@H](Cc3ccccc3)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTMMOWZPJQIHC-UIOOFZCWSA-N", "SMILES:CCCCCNC(=O)[C@H](Cc1cccc(OCC(=O)O)c1C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDYHBLNALXMJD-GFCCVEGCSA-N", "SMILES:O=C(O)C(=O)c1sc2c(c1C(=O)O)CCN[C@@H]2CNCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWLVKREVMTEJA-UXMRNZNESA-N", "SMILES:CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)O)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPUJIKBVXJDGJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)COc1ccc(CC2=C(c3c[nH]c4ccccc34)c3ccccc3C(=O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FONCZICQWCUXEB-VWLOTQADSA-N", "SMILES:Cc1cc(-c2c3ccccc3c(Br)c3sc(C)c(C)c23)cc(C)c1O[C@@H](Cc1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOHCFDAIFRULDM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCOc1ccccc1NC(=O)c1cccc(F)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMDWYOJEFOKNMO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCOc1ccccc1NC(=O)c1c(C(=O)O)cc(Cl)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUAPFUBBDJAYTR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCOc1ccccc1NC(=O)c1ncccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGSJTJKESOJRD-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Cl)ccc2s1)Nc1cccc(-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJZWCTUXJJBWGG-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1sc2c(c1C(=O)O)COC(COC1=NS(=O)(=O)c3ccccc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYEUAVNMANWCSE-ULQDDVLXSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAJYWYRZTYQKS-GOTSBHOMSA-N", "SMILES:CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL342478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWMERGBWWROMM-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1cc2[nH]ccc2cc1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL336879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYVBNVUABXDKL-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1ccsc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL138257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSHXXRDRZCJYQW-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL140120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIMJSFGMHLCHIV-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQSRCEFDWMQCCV-GQCTYLIASA-N", "SMILES:COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2onc(C(=O)O)c2CO)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL186337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTVRHCPRVOWGNG-GQCTYLIASA-N", "SMILES:COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2onc(C(=O)O)c2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKOYIUYWMSVYKN-SJORKVTESA-N", "SMILES:NC(=O)[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBUFYVHTSCTMP-GOTSBHOMSA-N", "SMILES:CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXFBWTYGBORVKO-ZEQRLZLVSA-N", "SMILES:CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(-c2nn[nH]n2)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJKYVDDRWXWSM-AREMUKBSSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc(C[C@@](c2ccccc2)(c2ccc(C(F)(F)P(=O)(O)O)cc2)n2nnc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWQTEBOZWPXGG-SANMLTNESA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc(C[C@](c2ccc(C(F)(F)P(=O)(O)O)cc2)(c2ccc(F)c(F)c2)n2nnc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMXDRLLWCMZGK-NOVDBHPTSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc(C[C@](/C=C/c2ccccc2)(c2nc3ccccc3s2)n2nnc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYWUVXVLKIFNK-UHFFFAOYSA-N", "SMILES:COC(CC(C)C)c1ccc2ccc(CC(Cc3ccc(C(F)(F)P(=O)(O)O)cc3)(c3ccccc3)n3nnc4ccccc43)c(P(=O)(O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESBRLWXQGRPDG-RGVLZGJSSA-N", "SMILES:Cc1cc(/C=C2/S/C(=N/c3ccc(Cl)cc3)NC2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCVGLWTXHBOEKI-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc(CC3CCCCC3)cc2F)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCCLNCADJJLNAS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Oc1c(Cl)cccc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQNQFLCBYHZPAS-UHFFFAOYSA-N", "SMILES:O=C1CN(c2ccc(-c3ccc[nH]3)cc2O)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1208413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDDFTLUZLYJJA-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGCYXHAMRRTPJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)C(Cc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1)(c1ccc2cc(C(F)(F)P(=O)(O)O)c(Br)cc2c1)n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZCOCKSRYYNFEH-HKWRFOASSA-N", "SMILES:O=C1/C(=C/c2ccc(-c3ccccc3)cc2)NC(=S)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZGBTOIGDHHCJ-OCOZRVBESA-N", "SMILES:CCOS(=O)(=O)/C=C/c1ccc(COc2cc(COc3ccc(C(=O)O)c(O)c3)ccc2C(=O)Nc2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUXHDNGXKKPWCM-UHFFFAOYSA-N", "SMILES:O=c1c2cc(O)c(O)cc2oc2cc(OCc3cccc(Cl)c3F)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVCKOPWSAHTNMC-MZBJOSPHSA-N", "SMILES:C[C@@]12CCC[C@](C)(C(=O)O)[C@H]1CCc1cc(OCC(=O)Oc3ccccc3C(=O)O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNRGZJUSHOGEP-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(CCCCC2)N1S(=O)(=O)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPFQSZWKNSTIRY-MGPQQGTHSA-N", "SMILES:O=C(NCCCN1C[C@@H](O)[C@H](O)[C@H]1CO)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFKQYYRKLORISV-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2cc(-c3cccc(Cl)c3)oc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIZDAXYCXABQQI-UHFFFAOYSA-N", "SMILES:O=C1OCCN1c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3431396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFVSGVBEBJHCD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBNLAUIGSCBBTF-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTABKBZRAZXDQK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBPOIJPCJCMVPV-UHFFFAOYSA-N", "SMILES:CC1(c2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRCCYFAMXZIJSC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(Br)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMUIDCNIRWVPSK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZKYJOXHQDUCU-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2cccc(OS(=O)(=O)[O-])c2)n1Cc1cccc(Cn2c(-c3cccc(OS(=O)(=O)[O-])c3)nc3ccccc3c2=O)c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRAKCDKTZCWCR-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2cccc(OS(=O)(=O)[O-])c2)n1Cc1ccc(Cn2c(-c3cccc(OS(=O)(=O)[O-])c3)nc3ccccc3c2=O)cc1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCPLXBQXHTXEA-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1Cc1cccc(Cn2c(-c3ccc(OS(=O)(=O)[O-])cc3)nc3ccccc3c2=O)c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFAOAAAEONTLBD-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2cccc(OS(=O)(=O)[O-])c2)n1Cc1ccccc1Cn1c(-c2cccc(OS(=O)(=O)[O-])c2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTLZAWQFDWBSV-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1Cc1ccccc1Cn1c(-c2ccc(OS(=O)(=O)[O-])cc2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIGLFDRZDJJMMB-TXOOBNKBSA-L", "SMILES:O=c1c2ccccc2nc(-c2cccc(OS(=O)(=O)[O-])c2)n1C/C=C/Cn1c(-c2cccc(OS(=O)(=O)[O-])c2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHYXXOOYMWIEJ-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2cccc(OS(=O)(=O)[O-])c2)n1CCCCCn1c(-c2cccc(OS(=O)(=O)[O-])c2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFXHZUEEZEESC-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCn1c(-c2ccc(OS(=O)(=O)[O-])cc2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHWXXFKSVBDRAS-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2cccc(OS(=O)(=O)[O-])c2)n1CCOCCn1c(-c2cccc(OS(=O)(=O)[O-])c2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOVEFYQBXZHTG-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2cccc(OS(=O)(=O)[O-])c2)n1CCCCCCn1c(-c2cccc(OS(=O)(=O)[O-])c2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUSHLYIDNUUNY-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCn1c(-c2ccc(OS(=O)(=O)[O-])cc2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIOPIVGAAVZEV-UHFFFAOYSA-L", "SMILES:COc1ccc2nc(-c3ccc(OS(=O)(=O)[O-])cc3)n(CCCCCCn3c(-c4ccc(OS(=O)(=O)[O-])cc4)nc4ccc(OC)cc4c3=O)c(=O)c2c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTRNPELRQKTBKG-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCn1c(-c2ccc(OS(=O)(=O)[O-])cc2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTPNICAVQWHUMX-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCCn1c(-c2ccc(OS(=O)(=O)[O-])cc2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKMKPPNXFGWFF-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCCCn1c(-c2ccc(OS(=O)(=O)[O-])cc2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBHQMJDSNJDVQD-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCCCCn1c(-c2ccc(OS(=O)(=O)[O-])cc2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WASUTTWVDYVPEG-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCCCCCn1c(-c2ccc(OS(=O)(=O)[O-])cc2)nc2ccccc2c1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIJHWXVYYFCRI-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCn1cc(Cn2c(-c3ccc(OS(=O)(=O)[O-])cc3)nc3ccccc3c2=O)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHWIMHCVDXQHW-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCCn1cc(Cn2c(-c3ccc(OS(=O)(=O)[O-])cc3)nc3ccccc3c2=O)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBLXAPIGGCKBBZ-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCCCn1cc(Cn2c(-c3ccc(OS(=O)(=O)[O-])cc3)nc3ccccc3c2=O)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEQFQXUZQXJRN-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCCCCn1cc(Cn2c(-c3ccc(OS(=O)(=O)[O-])cc3)nc3ccccc3c2=O)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSGIUFCRVHSIB-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCCCCCn1cc(Cn2c(-c3ccc(OS(=O)(=O)[O-])cc3)nc3ccccc3c2=O)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4445340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLAFFNWGQSHPO-UHFFFAOYSA-L", "SMILES:O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1CCCCCCCCCCCCn1cc(Cn2c(-c3ccc(OS(=O)(=O)[O-])cc3)nc3ccccc3c2=O)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRZYYCDERWWJT-UHFFFAOYSA-I", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OCc3cn(CCCCCCCn4c(-c5ccc(OS(=O)(=O)[O-])cc5)nc5ccccc5c4=O)nn3)c12.[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEOITDOISMABR-UHFFFAOYSA-I", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OCc3cn(CCCCCCCCn4c(-c5ccc(OS(=O)(=O)[O-])cc5)nc5ccccc5c4=O)nn3)c12.[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCIJXGLMADYSTI-UHFFFAOYSA-I", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OCc3cn(CCCCCCCCCn4c(-c5ccc(OS(=O)(=O)[O-])cc5)nc5ccccc5c4=O)nn3)c12.[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGZDFBLEOZTTL-UHFFFAOYSA-I", "SMILES:O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OCc3cn(CCCCCCCCCCn4c(-c5ccc(OS(=O)(=O)[O-])cc5)nc5ccccc5c4=O)nn3)c12.[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKECNAFRYHASNA-UHFFFAOYSA-M", "SMILES:O=c1[nH]c(-c2ccc(OS(=O)(=O)[O-])cc2)nc2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLDDHHTMAJFMM-LKVOOIPRSA-N", "SMILES:C/C=C1\\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C/C(C)=C/Cl)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL398726", "category": ["biolink:ChemicalEntity"], "name": "LYNGBYASTATIN 7", "xref": ["InChIKey:DZIGKKCSWPSVIO-SWEGFNRNSA-N", "SMILES:C/C=C1\\NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCC)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1398351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTNDFLIKUKKOC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1.CS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZEXRDYEZBKQHM-OORQIXKOSA-N", "SMILES:CC[C@@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]([C@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZCHEKIZMGPJL-RWHDRLJZSA-N", "SMILES:CC[C@@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccc(OCc3ccn(C)n3)cc2)C(=O)N[C@H]([C@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUGSQNZOCSCMMA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2cc(OCCO)ccc2O3)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXQXWVTHYHFBA-UHFFFAOYSA-N", "SMILES:COCCOc1ccc2c(c1)C(=O)CC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHVTQJMTUQCTQ-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2c(c1)C(=O)CC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYRAOTGCFPPQHI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(O)cc2O3)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHNNUPWYLCFGLP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZZIMIPHNKMIDC-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)OC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYWVZRLAGYWAB-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2c(c1)OC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMQZROFIRWJGMY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2c(c1)OC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHNWXMBKLGVCS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OCCO)cc2O3)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKUMOHXAIHNVPB-UHFFFAOYSA-N", "SMILES:COCCOc1ccc2c(c1)OC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYIJZSCAFQEKR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(Br)cc2O3)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVJADLNFOKENV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2cc(Br)ccc2O3)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWOHSPGVZLBKTK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccccc2O3)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUECJPFZZOZFNC-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)CC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRLKCWFIQQCIC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)CC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBHUCUUKZXPWJT-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)C(=O)CC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHSEVNLVXISKA-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2c(c1)C(=O)CC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBVLCXRMSVIEI-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2c(c1)C(=O)CC1(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWCZZMKIONRYDB-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nc(NC3CCOCC3)c3nc(CC#N)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLRXEWNXABQCD-GFCCVEGCSA-N", "SMILES:Cn1cc(Nc2nc(N[C@@H]3CCOC3)c3nc(CC#N)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLRXEWNXABQCD-LBPRGKRZSA-N", "SMILES:Cn1cc(Nc2nc(N[C@H]3CCOC3)c3nc(CC#N)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMLSJFARGTKIB-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nc(NC3COC3)c3nc(CC#N)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYWUHMFTMUREBX-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNAXLUYLDVAZEY-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nc(NC3CC3)c3nc(CC#N)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJJNRCVWODASQK-UHFFFAOYSA-N", "SMILES:N#CCc1ccc2nc(Nc3cnn(C4CCOCC4)c3)nc(NC3CCOCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKZURRELPODKZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(n2cc(Nc3nc(NC4CCOCC4)c4nc(CC#N)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNXWAWAFKKIKS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(n2cc(Nc3nc(OC4CCOCC4)c4nc(CC#N)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMYCKCWYEIGQOV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(n2cc(Nc3nc(OC4CCOCC4)c4nc(C)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRAWPZSLULASL-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(Nc3cnn(C4CCN(C)CC4)c3)nc(OC3(C)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLQNGARHPOXKR-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(C5CC5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBHMENCKRXLUJV-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(C(=O)N(C)C)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGMWEVJCHUDPID-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(-c5cnn(C)c5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGRMFLXQNNVVGB-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(-c5ccn(C)n5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFTGXVFAOCBNQR-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(-c5cn(C)nn5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJLVHOVSPOSAPV-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(-c5cn(C)cn5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTSSKLVTGYFQW-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(-c5cccnc5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIQOMIKWUAMAA-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(-c5cncnc5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXYLZJMEDMWHF-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(-c5ccnnc5)ccc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFBXOXOTOWTDW-UHFFFAOYSA-N", "SMILES:Cc1ncncc1-c1ccc2nc(Nc3cnn(C4CCN(C)CC4)c3)nc(OC3(C)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJRPQYVVGQEFN-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc3nc(Nc4cnn(C5CCN(C)CC5)c4)nc(OC4(C)CC4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUKZWVJRYVMNM-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc3nc(Nc4cnn(C5CCN(C)CC5)c4)nc(OC4(C)CC4)c3n2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRXZSXQVTNAIHE-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(Nc3nc(OC4(C)CC4)c4nc(-c5cncnc5)c(F)cc4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOIEKLLUUCWFU-UHFFFAOYSA-N", "SMILES:Cc1ncncc1-c1nc2c(OC3(C)CC3)nc(Nc3cnn(C4CCN(C)CC4)c3)nc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZURKEABSBIIMJ-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2nc3c(OC4(C)CC4)nc(Nc4cnn(C5CCN(C)CC5)c4)nc3cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFNAHFTYXTJKI-FQELHTAISA-N", "SMILES:Cc1ncc(-c2nc3c(OC4(C)CC4)nc(Nc4cnn([C@@H]5C[C@H]6C[C@@H]5CN6C)c4)nc3cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFNAHFTYXTJKI-UQASEVPWSA-N", "SMILES:Cc1ncc(-c2nc3c(OC4(C)CC4)nc(Nc4cnn([C@@H]5C[C@@H]6C[C@H]5CN6C)c4)nc3cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGNWCJAZTBIOLY-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2nc3c(OC4(C)CC4)nc(Nc4cnn(C5CC6(C5)CN(C)C6)c4)nc3cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYQKTNLSGOQDDN-UHFFFAOYSA-N", "SMILES:CN1CC2(CC(n3cc(Nc4nc(OC5(C)CC5)c5nc(C6CC6)c(F)cc5n4)cn3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPLCKFCNBYNLX-UHFFFAOYSA-N", "SMILES:Cc1nc2c(OC3(C)CC3)nc(Nc3cnn(C4CC5(C4)CN(C)C5)c3)nc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNBYANZTLQEDDY-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2nc3c(NC4(C)CC4)nc(Nc4cnn(C5CC6(C5)CN(C)C6)c4)nc3cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYYOAOHKRVOFGH-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2nc3c(NC(C)C)nc(Nc4cnn(C5CC6(C5)CN(C)C6)c4)nc3cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFCIWMKGBAWFGT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYBREUXDFGUGFR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(C)c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCRHBMKJEJWROD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPACYNXUBMMCR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTXUTSZEWZABTL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMNRNQCGPDRMF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccc(S(N)(=O)=O)cc4)c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULTUONTNLFTDL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTPGNOOBMOYLH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(Br)c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNSRTBHXOTLMF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJXIGJIEWAMNK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCQPZBCYZWBTA-UHFFFAOYSA-N", "SMILES:CCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNCPLVOHYRDQS-UHFFFAOYSA-N", "SMILES:CCN1C(C)=C(C(=O)Nc2ccc3[nH]ncc3c2)Cn2nnnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZPJWTKNHTWUFP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)Cn2nnnc2N1CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUSRCEJKORQARM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)Cn2nnnc2N1C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQMXFHUNSQWNOK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)Cn2nnnc2N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWDUTHOOFLHZIO-UHFFFAOYSA-N", "SMILES:CC(=O)N1C(C)=C(C(=O)Nc2ccc3[nH]ncc3c2)Cn2nnnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMAEXVWFIGNKQ-SECBINFHSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMAEXVWFIGNKQ-VIFPVBQESA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUNODOWDVLTAHL-SNVBAGLBSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(C)c3c2)[C@@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUNODOWDVLTAHL-JTQLQIEISA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(C)c3c2)[C@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGBHROMNNPQXGK-GFCCVEGCSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)[C@@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLIDWZKKXCTTPU-OAHLLOKOSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)[C@@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLIDWZKKXCTTPU-HNNXBMFYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)[C@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYEXEASHTOHKNW-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(C)(C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTJEHCVDADULG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(C)c3c2)C(C)(C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTISWVCQZDZSAV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)C(C)(C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHSAHYKLUPESPP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)C(C)(C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJMJQPNFNSEJNN-SECBINFHSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)[C@@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYXWCCYEHXDRCK-MRVPVSSYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)[C@@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVWYHZJPZJXPX-SECBINFHSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3c(c2)CNC3=O)[C@@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGXZJHSDIIIGSV-SNVBAGLBSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3c(N)nccc3c2)[C@@H](C)n2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGLFBHIWPADJJB-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1n[nH]c2ccc(NC(=O)C3=C(C)N(C)c4nnnn4C3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWJWCFICMPAPJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=S)Nc2ccc3[nH]ncc3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLJZJYCZJIZHR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3cnc(C)n3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNABHOMQDFCOZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccn3cnc(C)c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTPIVYKECWHODE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3c(c2)CC(=O)N3)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVZGUCRPHIRLR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)Cn2nnnc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBGSDCWWQMMJY-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ncnc(OCCO)c1-c1ccccc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJXDJRWFUDSEA-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRDENHNEUGHGW-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ccccc2)nc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVVOQVTSUQJCP-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1nc2c(C)nn(C)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXQUEDUMKWBYHI-UHFFFAOYSA-N", "SMILES:CCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3OCC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430488", "category": ["biolink:ChemicalEntity"], "name": "TALVIRALINE", "xref": ["InChIKey:GWKIPRVERALPRD-ZDUSSCGKSA-N", "SMILES:COc1ccc2c(c1)N(C(=O)OC(C)C)[C@@H](CSC)C(=S)N2"], "synonym": ["Talviraline", "Talviralina", "Hby 097", "Talviraline", "HBY 097", "HBY-097", "HBY097"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3781118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFSZGLRGQFVSKC-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZEQXLMAKRKHJC-OFNKIYASSA-N", "SMILES:CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL496307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTTCBVOJARTTMW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCWGHYEPISYHV-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccc(-c3ccccc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTGDOCRFJEKDS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(-c2ccc(-c3nnc(C4(c5ccc(Cl)cc5)CCC4)n3C)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHNCLCNTFQOTJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1cccc(-c2ccc(-c3nnc(C4(c5ccc(Cl)cc5)CCC4)n3C)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIWJNBZANLAXMG-IQEDOFJGSA-N", "SMILES:ClC1=C(Cl)[C@]2(Cl)[C@H]3C[C@H](Cl)[C@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQPCWBRPMEHIT-MYHJAMFRSA-N", "SMILES:O=C1OC[C@@H]2[C@H](CO1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYSHNJQMYORNJI-LMSKBGPXSA-N", "SMILES:CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2C(OC(=O)c2ccc(O)cc2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL101326", "category": ["biolink:ChemicalEntity"], "name": "FIPRONIL", "xref": ["InChIKey:ZOCSXAVNDGMNBV-UHFFFAOYSA-N", "SMILES:N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F"], "synonym": ["Fipronil", "Fipronil (ema epar: veterinary)", "Termidor", "MB 46030", "MB-46030", "NSC-758960", "RM 1601", "RM-1601", "Fipronil component of broadline", "Frontline"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080648", "category": ["biolink:ChemicalEntity"], "name": "OXADIAZON", "xref": ["InChIKey:CHNUNORXWHYHNE-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1867271", "category": ["biolink:ChemicalEntity"], "name": "PRETILACHLOR", "xref": ["InChIKey:YLPGTOIOYRQOHV-UHFFFAOYSA-N", "SMILES:CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL371463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQFYIAXQDXNOR-QDKLYSGJSA-N", "SMILES:C[C@H]1CCC[C@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL76164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZONVHYKSUHFCL-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZBZEAIVHQPHF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXHLUCVCZEBHY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)c7ccccc67)CC5)CC4)OCCO3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUZOGGHCLLGOM-SANMLTNESA-N", "SMILES:c1ccc(C2(c3ccccc3)OC[C@H](CNCCOc3ccccc3-c3ccncc3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVELNGXIEZFZIB-IRXDYDNUSA-N", "SMILES:CC1(C)OC[C@H](NC(=O)Nc2ccccc2Br)[C@H](c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1945780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIHUYQKNJHXPT-DRABBMOASA-N", "SMILES:COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXANQGCRAVCSQ-PJQZNRQZSA-N", "SMILES:COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZDHVNJOMAZQFF-LXHROKJGSA-N", "SMILES:CCOc1ccc(Cc2cc([C@]34CO[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWHBRRBKKTMQO-ICSRJNTNSA-N", "SMILES:O=c1[nH]nc(CN2CCC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL52330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKIXMQKLMUJEK-RBUKOAKNSA-N", "SMILES:O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKYOVFCBLAVEU-UIAACRFSSA-N", "SMILES:Fc1ccc([C@@H]2NCCO[C@@]23CC[C@@H](c2ccccc2C(F)(F)F)CO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLFRQYCXXEYMH-JSRBVGTNSA-N", "SMILES:CN(C)Cc1[nH]nnc1CN1CCO[C@@]2(CC[C@@H](c3ccccc3C(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDHHASFXFRRTG-JSRBVGTNSA-N", "SMILES:CN(C)Cc1[nH]nnc1CN1CCO[C@@]2(CC[C@@H](c3ccccc3OC(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOYZEVGCNVFIP-MDASCCDHSA-N", "SMILES:Fc1ccc([C@@H]2NCCO[C@@]23C[C@@H](c2ccccc2C(F)(F)F)CO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBYYSIUBCJMHSP-XWRIVVANSA-N", "SMILES:COc1cccc(-n2nnnc2C(F)(F)F)c1[C@H]1CO[C@@]2(C1)OCCN[C@H]2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKYOVFCBLAVEU-YSSFQJQWSA-N", "SMILES:Fc1ccc([C@@H]2NCCO[C@]23CC[C@H](c2ccccc2C(F)(F)F)CO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUGZXKLWWMNOBR-DXVDGACZSA-N", "SMILES:CCC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CN(C)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCUSWUJEJFREJ-QZFRTWIZSA-N", "SMILES:C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCCc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL147939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNROJRGRINVPX-IFAMKMIRSA-N", "SMILES:C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCCc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL148309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJAXQSUSAXSBK-BMQXEJLFSA-N", "SMILES:C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPITLNVYVCTFW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(CCCCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQMHHDKXWTFHB-HKBQPEDESA-N", "SMILES:Cc1cc(C)n(CCCCC[S@+]([O-])c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIZMDYNVJVLPPY-ZSQTZEJBSA-N", "SMILES:Cc1cc(C)n(CCC[C@H]2CO[C@@H](c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHFXYUTIIVKOG-ZSQTZEJBSA-N", "SMILES:c1ccc(-c2nc([C@H]3OC[C@@H](CCCCN4CCSCC4)CO3)[nH]c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNXLFTVZFHHHPX-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(C3OCCCO3)[nH]c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQICXRNBJXHQRX-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(C3OCCO3)[nH]c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUPCWQOHLQDSH-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(C3CCCCO3)[nH]c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL417493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMYJRJLSGLBHW-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNIPJYFZGXJSDD-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXERRFMVNHOERJ-HLTNAHAZSA-N", "SMILES:Cc1cc(C)n(CCCC[C@H]2CO[C@@H](c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL128143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPJLCFZZXXQLC-UHFFFAOYSA-N", "SMILES:O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CC5CCC(C4)O5)c3)ccc1c2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDCWWYSBQWYQR-UHFFFAOYSA-N", "SMILES:O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CC5COC(C4)O5)c3)ccc1c2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL128238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVUDHDNWLWMUAH-UHFFFAOYSA-N", "SMILES:O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CC5COC(C4)O5)c3)ccc1c2-c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLJRXIFRPILDX-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CC5COC(C4)O5)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBKHEHIDDIEBSX-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CC5COC(C4)O5)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXWSHKALJVLTCA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKYOVFCBLAVEU-RYGJVYDSSA-N", "SMILES:Fc1ccc([C@@H]2NCCO[C@@]23CC[C@H](c2ccccc2C(F)(F)F)CO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKYOVFCBLAVEU-XPGWFJOJSA-N", "SMILES:Fc1ccc([C@@H]2NCCO[C@]23CC[C@@H](c2ccccc2C(F)(F)F)CO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUICRMGYHPZLQE-XUSCARPCSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2CCC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHKUQJOWIKKIH-LNDVOCBLSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CC[C@H]2OCC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWMNYFXRFHGYGS-DDGGWZRMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3O[C@@H]4OCC[C@@H]4[C@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRNAPLKHTYPCBB-WAYMSBLISA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1C2CO[C@H]3OCC1C3C2)S(=O)(=O)c1ccc2oc(NC3CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPOLAOSQGKEDSD-APPZFPTMSA-N", "SMILES:CC[C@@H]1C(=O)N(C(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFZUMLCLHIGFJH-YPMHNXCESA-N", "SMILES:CC[C@@H]1C(=O)N(C(C)=O)[C@H]1Oc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL308040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPVMGHAIQBNBCR-AEFFLSMTSA-N", "SMILES:CC[C@@H]1C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAREWFAONZBOP-RDGATRHJSA-N", "SMILES:CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(CC(=O)O)cc1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1186023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GERHAXJHCLVDBJ-PBXXJUDPSA-N", "SMILES:CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZRLONVLCSQCGQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2ccncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZDIFGWDWRYNDY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CN2CN(C3CCCCC3)C3(CCN(CCCC(=O)c4ccccc4)CC3)C2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBJTXVUDOGHDNW-UHFFFAOYSA-N", "SMILES:O=c1c2scc(-c3cccnc3)c2ncn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYFICUAQQIPRS-UHFFFAOYSA-N", "SMILES:O=c1c2cccc(-c3cccnc3)c2ccn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABJKNSUXHOECB-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(-c3cccnc3)c2CCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILZDALSAHEWCC-UHFFFAOYSA-N", "SMILES:O=C1c2scc(-c3cccnc3)c2CCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTBWDNCABWLKI-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(-c3cccnc3)c2CN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXLSRFSJDOOWKA-UHFFFAOYSA-N", "SMILES:O=C1c2scc(-c3cccnc3)c2CCN1C1CNCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOPZPDFNORQFID-UHFFFAOYSA-N", "SMILES:NCCC(c1ccccc1)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQSGUURGVJNCH-SFHVURJKSA-N", "SMILES:NC[C@@H](c1ccccc1)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQSGUURGVJNCH-GOSISDBHSA-N", "SMILES:NC[C@H](c1ccccc1)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQSGUURGVJNCH-UHFFFAOYSA-N", "SMILES:NCC(c1ccccc1)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBQVXLJBUDHUGU-UHFFFAOYSA-N", "SMILES:O=C1c2scc(-c3cccnc3)c2CCN1C(CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYKKVGKKRLWNG-UHFFFAOYSA-N", "SMILES:NCC(c1c[nH]c2ccccc12)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWAGEYNGXQUPC-SFHVURJKSA-N", "SMILES:NC[C@@H](C1CCCCC1)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCQWUUSWMGXSK-UHFFFAOYSA-N", "SMILES:CCCCCCC(CN)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSUOCYBSRFPPI-UHFFFAOYSA-N", "SMILES:CCCC(CN)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMZYUGQGZCQGQ-HNNXBMFYSA-N", "SMILES:CC(C)(C)[C@H](CN)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWOFHSCQDREXBV-CQSZACIVSA-N", "SMILES:CC(C)C[C@H](CN)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMPROXQCXPUIR-UHFFFAOYSA-N", "SMILES:NCC(c1csc2ccccc12)N1CCc2c(-c3cccnc3)csc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REBSMDZUSJUELV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2[nH]ccc12)c1cc2ccc(Br)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPAUMBBKNQXUME-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](CO)c1ccccc1)c1csc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWEFRWXAMACAFC-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUATOYNBOIOLZ-LBPRGKRZSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHQWQMFLCBKTH-AWEZNQCLSA-N", "SMILES:N#Cc1ccc(C(=O)NCCCC(=O)N2CCC[C@H]2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSRJUBBAYKINA-ZDUSSCGKSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRWIQZTSITXKY-KRWDZBQOSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBLRCJGMAAUSGE-INIZCTEOSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXOLAMRLZKEOMJ-HNNXBMFYSA-N", "SMILES:N#Cc1ccc(C(=O)NCCCC(=O)N2CCC[C@H]2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2086614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGXYCJEZYYYBT-AWEZNQCLSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTCMWLGPXUAAIJ-AAEUAGOBSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLMKWYRGJOXCT-STQMWFEESA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMRJGYVHQYUQQA-JSGCOSHPSA-N", "SMILES:COc1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVKZDRXHQJCHN-STQMWFEESA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BATJFTXGUXZDCD-STQMWFEESA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYVWDSJKVMXJP-AVGNSLFASA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSGXSDDAHDEKG-GVXVVHGQSA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMMIAJHOKDMJA-AVGNSLFASA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAUBWUDBHMPSMA-AVGNSLFASA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3093905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIYAUIWJPDJXEC-OBJOEFQTSA-N", "SMILES:COc1ccc(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUBFEWJFXQANE-DRZSPHRISA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBXGQLHLSANSK-AVGNSLFASA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYUCTQTXSOOCLS-AVGNSLFASA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CABIQIKRULDONB-GVXVVHGQSA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQDMIHXZLGRFFI-RVBZMBCESA-N", "SMILES:N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1cc(Cl)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABFOYIVXWUOOFF-QRKPXVIISA-N", "SMILES:N#C[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](N)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARCQOCKZYBROF-GUBZILKMSA-N", "SMILES:N#C[C@@H]1C[C@H](c2cccs2)CN1C(=O)[C@@H](N)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYPOEFXUTVSEQW-CIUDSAMLSA-N", "SMILES:N#C[C@@H]1C[C@H](c2cscn2)CN1C(=O)[C@@H](N)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZSYXDXQFOQBC-QXEWZRGKSA-N", "SMILES:N#C[C@@H]1C[C@H](c2ccc3c(c2Br)OCO3)CN1C(=O)[C@@H](N)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZXIECDKKLQNAO-WMZOPIPTSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)C[C@@H](N)Cc1ccc(-c2cn(C3CC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDAGYCHPCSRNK-FPOVZHCZSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)C[C@@H](N)Cc1ccc(-c2cn(C3CCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROZPBRAVQVKRJ-HOTGVXAUSA-N", "SMILES:Cn1cc(-c2ccc(C[C@H](N)CC(=O)N3CCC[C@H]3C#N)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGCCAYOIBQEXKQ-LBAQZLPGSA-N", "SMILES:N#CC1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHHYZDAZOXJYIO-HOTGVXAUSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWKRRCNHGXGMJQ-GJZGRUSLSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNFAVPDGBHTPOD-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLCGYDDEOWNJOG-DYTHMOEWSA-N", "SMILES:C[C@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)[C@H](N)C(=O)N1CCC[C@H]1C#N.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYAFNTLJDGYONR-SQFLUBDYSA-N", "SMILES:CO[C@@H]1CCCN1C(=O)CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHPATRIWBRAYHP-GBFWRCQXSA-N", "SMILES:N#C[C@@H]1C[C@H]2[C@H](CC2(F)F)N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEALZXQTUUPIKZ-VZANTVGXSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)CNC1C[C@H]2CC(O)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFODDFZJTVDBE-UZSCSNNJSA-N", "SMILES:COC1C[C@@H]2C[C@H](NCC(=O)N3CCC[C@H]3C#N)C[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRAWVUJRLDASDM-XGUBFFRZSA-N", "SMILES:CN(C)C(=O)N1C[C@H]2C[C@@H](NCC(=O)N3CCC[C@H]3C#N)C[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLSCQXDHRRWZJM-KRXQYRFLSA-N", "SMILES:CN(C)C(=O)N1C[C@@H]2C[C@](C)(NCC(=O)N3CCC[C@H]3C#N)C[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1083588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLSCQXDHRRWZJM-JTOWHCCKSA-N", "SMILES:CN(C)C(=O)N1C[C@@H]2C[C@@](C)(NCC(=O)N3CCC[C@H]3C#N)C[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCRFZKKDIWRAQQ-RTBURBONSA-N", "SMILES:N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXSQTCNDFEYSX-JDXSOMNQSA-N", "SMILES:CC1c2nnc(C(F)(F)F)n2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSHZYLAUPMPOKR-HNJSCFAESA-N", "SMILES:Cl.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1c1ccc(F)cc1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLAVNFTULBNSG-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Cn1c(N2CCNCC2)cc(=O)n2nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSLUBMODRERNB-AWEZNQCLSA-N", "SMILES:COc1ccc(-c2cn(CC[C@H](N)Cc3cc(F)c(F)cc3F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBLPXIKGUSTES-AWEZNQCLSA-N", "SMILES:N[C@@H](CCn1cc(-c2ccccc2)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBNBZKLNADREG-VIFPVBQESA-N", "SMILES:N[C@@H](CCn1cc(CO)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTHLIDVNMCRAP-HNNXBMFYSA-N", "SMILES:Cc1ccc(-c2cn(CC[C@H](N)Cc3cc(F)c(F)cc3F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGEOUJADYLAWLI-NSHDSACASA-N", "SMILES:Cn1ccnc1-c1cn(CC[C@H](N)Cc2cc(F)c(F)cc2F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLDMRXQKLZFDX-AWEZNQCLSA-N", "SMILES:N[C@@H](CCn1cc(C2CCCCC2)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCCAZCPHLZNGX-QMMMGPOBSA-N", "SMILES:N[C@@H](CCn1cc(C(=O)O)nn1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTJJYMGFNLIBO-AWEZNQCLSA-N", "SMILES:COc1ccc(-c2cnnn2CC[C@H](N)Cc2cc(F)c(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMPMKXRMDRUSC-JTQLQIEISA-N", "SMILES:N[C@@H](CCNC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJESCJICUXVRNS-ISTRZQFTSA-N", "SMILES:CS(=O)(=O)n1ncc2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGDWAXLKTXTMG-DIOULYMOSA-N", "SMILES:N[C@H]1C[C@@H](N2Cc3cnn(S(=O)(=O)C(F)(F)F)c3C2)CO[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDJVDJLQMGLBM-RPVQJOFSSA-N", "SMILES:CCS(=O)(=O)n1ncc2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFPYOYIDDHFIZ-DKSSEZFCSA-N", "SMILES:CCCS(=O)(=O)n1ncc2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQCFQGBLFSIIB-DKSSEZFCSA-N", "SMILES:CC(C)S(=O)(=O)n1ncc2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKBIIOMRBFEMR-XVGQJIODSA-N", "SMILES:N[C@H]1C[C@@H](N2Cc3cnn(S(=O)(=O)C4CC4)c3C2)CO[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3645492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQYMNVVXGACVAN-MFMILTCTSA-N", "SMILES:N[C@H]1C[C@@H](N2Cc3cnn(S(=O)(=O)C4CCCC4)c3C2)CO[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZICYJBHKSJXED-DKSSEZFCSA-N", "SMILES:Cn1ccnc1S(=O)(=O)n1ncc2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFKDDIJMSIUIP-QGCDCVKKSA-N", "SMILES:N[C@H]1C[C@@H](N2Cc3cnn(S(=O)(=O)c4ccccc4)c3C2)CO[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKVPWJQFBMVRD-QGCDCVKKSA-N", "SMILES:N[C@H]1C[C@@H](N2Cc3cnn(S(=O)(=O)c4ccc(C(F)(F)F)cc4)c3C2)CO[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOXGYTJGIKCZID-XVGQJIODSA-N", "SMILES:N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)CO[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEJERVWWLOAPT-MFMILTCTSA-N", "SMILES:N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCCC4)nc3C2)CO[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJYWQHVMNKDHV-CFLQYTFWSA-N", "SMILES:Cn1cnc(S(=O)(=O)n2cc3c(n2)CN([C@H]2CO[C@H](c4cc(F)ccc4F)[C@@H](N)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3959577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXZDPLKXVPVWMV-HNAYVOBHSA-N", "SMILES:Cc1cc(=O)oc2c3c(ccc12)O[C@H](c1cc(F)c(F)cc1F)[C@@H](N)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHQSUAWBNUUCOO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(CC(=O)N2CCC(N)CC2)c(=O)c2sc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBXMXODWSVKKGG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c2sc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTFJBAGJBYCHN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(CC(=O)N2CCN(c3ccccn3)CC2)c(=O)c2sc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYRVFYPGPJUTN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(CC(=O)N2CCN(c3ncccn3)CC2)c(=O)c2sc(N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVMQOXKKAGGNG-GFCCVEGCSA-N", "SMILES:N[C@@H](CC(=O)N1CCNCC1)Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGAZJDABUDYDU-INIZCTEOSA-N", "SMILES:C#CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNVUABZOQQMIAU-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430", "category": ["biolink:ChemicalEntity"], "name": "GEMIFLOXACIN", "xref": ["InChIKey:ZRCVYEYHRGVLOC-HYARGMPZSA-N", "SMILES:CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN"], "synonym": ["Gemifloxacin", "Gemifloxacin", "Gemifloxacine", "Gemifloxacino", "Gemifloxacin", "Factiv", "Gemifloxacin"], "chembl_black_box_warning": "True", "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL5277115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAUUYFMHCZGINF-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)CS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJUWIFQBPMRKW-UHFFFAOYSA-N", "SMILES:Cc1c(-c2c(S(=O)(=O)c3ccccc3)cnc3ncnn23)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXBAXWKKPGQGSJ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2c(S(=O)(=O)c3ccccc3)cnc3nnnn23)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHUUUGPKHREJFJ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(S(=O)(=O)c3ccccc3)n[nH]2)c(=O)n(C)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4246951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMGMQJVSXOUBAC-UHFFFAOYSA-N", "SMILES:Brc1nc2n(n1)CC(c1cc3ccccc3o1)=NN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLRDWUGECJGCP-UHFFFAOYSA-N", "SMILES:NNC1=NC(N2C(=O)CSC2=O)=NC(NN)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAVOGWWPYUVDEH-UHFFFAOYSA-N", "SMILES:O=C(CNc1nc(Nc2ccc(S(=O)(=O)Nc3cncs3)cc2)nc(N2CCOCC2)n1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBSTXXPCGKTNL-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYWVOKXLDCVLL-QWHCGFSZSA-N", "SMILES:O=C([C@H]1CC[C@@H](n2cc(-c3ccccc3O)nn2)C1)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIKKMCYAVPHJKI-LEWJYISDSA-N", "SMILES:O=C([C@H]1CC[C@@H](n2cc(-c3ccc(-c4ccccc4)cc3)nn2)C1)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHRCTIOCNKXXAP-VHSXEESVSA-N", "SMILES:COC(=O)c1cn([C@@H]2CC[C@H](C(=O)N3CCC(F)(F)C3)C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4245414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBBLGGTVVLXSCX-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWOVOGHKOPMQY-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccccn2)CC1)N1CCSC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQHOLKLOZULOET-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDZNFPHPWBHHSS-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1209766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWYTIWWBMYZRH-UHFFFAOYSA-N", "SMILES:COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQJHOINFURTIW-FIKGOQFSSA-N", "SMILES:N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccnc1)[C@H]1CCc2cc(F)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWOAUNXINHSAL-LTMIRXACSA-N", "SMILES:CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2C(=O)C[C@H](N)[C@H]2CCc3cc(F)c(F)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLSXCWNHOLPCH-ZJBJCVSYSA-N", "SMILES:N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccc(S(N)(=O)=O)c1)[C@H]1CCc2cc(F)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENKZOJFUKLHHL-QYWGDWMGSA-N", "SMILES:N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CCc2cc(F)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMYEHUTCIYIQQ-RXSFTSLZSA-N", "SMILES:N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)c(F)cc1F)[C@H]1CCc2cc(F)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMFRHGAWHMXFF-YBXDKENTSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2C(=O)C[C@H](N)[C@H]2CCc3cc(F)c(F)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVLNXCDTYXOMLX-RLSLOFABSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCN2C(=O)C[C@H](N)[C@H]2CCc3cc(F)c(F)cc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIUAZDKEBOBVNI-RPPIVITFSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCN2C(=O)C[C@H](N)[C@H]2CCc3cc(F)c(F)cc32)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPOIJFXKFKKPKB-MYIHVTGJSA-N", "SMILES:CN1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCN3C(=O)C[C@H](N)[C@H]3CCc4cc(F)c(F)cc43)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUEVNLXHVSNGFY-DGUDUIIESA-N", "SMILES:N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)c(F)cc1F)[C@H]1CCc2cc(F)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNQHPSLUPOOIT-RPPIVITFSA-N", "SMILES:N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(F)cc1F)[C@H]1CCc2cc(F)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQEUTYFEAZDLTC-UAVUOLJFSA-N", "SMILES:N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCC2)c(F)cc1F)[C@H]1CCc2cc(F)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4242416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMWUBHIJMHHJGV-OAHLLOKOSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cn(CCC(=O)OC)nn2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWIPEBPQVFJQPU-QGZVFWFLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cn(-c3ccccc3)nn2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSWUNDXNKVPNDC-CQSZACIVSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cn(CCC(=O)O)nn2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYFFDPMFVTJCH-KEDPEKRHSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cn(C/C=C/C(=O)O)nn2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFSZTYPOUVNNZ-OAHLLOKOSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cn(CC(=O)N(C)C)nn2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4538597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLOLWFTVYQPED-MRXNPFEDSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccccc2C(=O)O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNQIDHNDEPDUTF-OAHLLOKOSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(F)c2C(=O)O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNPQORDQNUTFC-MRXNPFEDSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(F)c2C(=O)OC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLMCTWKAMLFLPV-QGZVFWFLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(Br)cc2C(=O)OC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDJWACIPYKROMX-GOSISDBHSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)NC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUSLOIQMAFGEQN-LJQANCHMSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)NCC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQDKWYPGWAEELX-QGZVFWFLSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(Cl)c(C(=O)N(C)C)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDHWCCBOQUTMC-IBGZPJMESA-N", "SMILES:C[C@H]1CCN(C(=O)CNc2cc3cc(-c4ccccc4)c(-c4ccccc4)cc3oc2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4239107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJHCSISYVQBSY-JFLMPSFJSA-N", "SMILES:O=[N+]([O-])c1cccc(/C=N/N2C(c3ccccc3)=Nc3ccc(I)cc3C2Nc2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQQGIHUQYHYHE-BHGWPJFGSA-N", "SMILES:Cc1ccc2cc(CNc3nc(C)cs3)n(/N=C/c3ccc(O)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KERCDVKBUXNNCU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2=NNc3nc(Br)nn3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFUWFUYQKAIFD-QINSGFPZSA-N", "SMILES:COc1ccc(CCNC(=S)N/C=C2\\C(=O)Oc3ccccc3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGPWCYPEYDCGW-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)N=C2CC(C)C3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)C(O)=C2C1c1cc2cccc3c2n(c1=O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFFAHWOICGPNQJ-UHFFFAOYSA-N", "SMILES:NCc1c(-c2ccc(Cl)cc2Cl)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXRVLTPJBJNOBG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc2ccccn2c1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1209853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMKVMFVAFDJNGK-UHFFFAOYSA-N", "SMILES:Cc1nc2nc(-c3ccccc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1208900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZHXVSYCJNPPMT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQXDVWDZYIZGR-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NC(=O)CN3CCNCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2040554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWMHHMXKNMXGDP-ZHZULCJRSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVUWIUUOBNFHA-PTNGSMBKSA-N", "SMILES:CCN1CCC(Cc2ccc(Cl)cc2)(C(=O)/C=C(\\O)C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHZTEMPQQZPNB-MRXNPFEDSA-N", "SMILES:CC(=O)Nc1nc2c(Oc3cc(N4CCN([C@H](C)c5ccc(F)cc5)CC4)ncn3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL227209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGGWAAGNENKOKJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2c(Oc3cc(N4CCN(CC(F)(F)F)CC4)ncn3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL229432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIEWRDPAJIXNPT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2c(Oc3cc(N4CCC(C(F)(F)F)CC4)ncn3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVKXOTNGUNPYBX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2c(Oc3cc(C4CCC(C(F)(F)F)CC4)ncn3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMJKPGFERYGJF-ZETCQYMHSA-N", "SMILES:N[C@H](C(=O)O)c1ccc(C(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL43412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSHLWJBSDBBRH-XOJFDHPMSA-N", "SMILES:N[C@H](C(=O)O)C12CC(C(=O)O)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYCORZCGVTXZFU-XOJFDHPMSA-N", "SMILES:N[C@H](C(=O)O)C12CC(c3nn[nH]n3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1178768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWDPMSYYKHNOK-YRNVUSSQSA-N", "SMILES:CCO/N=C/C(O)CNC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1178704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJULDGAPFSVVHF-WUXMJOGZSA-N", "SMILES:CC/C=N/OCC(O)CNC(C)(C)C"]}
{"name": "Beta-2 adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL3373"], "id": "UniProtKB:Q28044", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMTPRUDYXUMNAZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(B3C=CC=CN3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXPPSRYQJMDLL-HDJSIYSDSA-N", "SMILES:Clc1cnc2n1CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJDTWSWPPZLAN-UHFFFAOYSA-N", "SMILES:Clc1cnc2n1CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIOKKXQKMFIASF-DFPMAUPISA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTIGZHWNGKYAO-BPNDGJTPSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRUHAHDZRPFIU-NSBVLCQTSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBNACRDYLQAFAN-KJDZKPBBSA-N", "SMILES:Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQMJXKADORALLN-ICWLNENESA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRFWUTDNKUVKKL-ZEAPZOAHSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDEWJDIVGHDEFX-HVUMFHIUSA-N", "SMILES:COc1ccc(OCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDVUTHOMPYFSDW-IQHRTIQUSA-N", "SMILES:COc1ccc(OC(C)C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKAJKLRKRVRCL-GBLYOYEHSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWCOBWFCZRXIAT-SOADLSRISA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMZJOZDEQYMIOV-KBCMKWCFSA-N", "SMILES:COc1ccc(/C=C/C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFLPDEMDXINBKA-OHTAKOAQSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2ccccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCESRYMIZNLSQH-JTLWTYSLSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXGBAEZSUURIHI-RNDDGGPQSA-N", "SMILES:CN(C)c1ccc(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPIGFETZIJRNNZ-WOPHEGALSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGGYUARATLXVFL-HILJTLORSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUFNYTJVPNYFBX-ZUFXTUFISA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3ccc(Cl)c(Cl)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDFIPRXCQILSGM-ZUHDPNGNSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3ccc(Cl)cc3Cl)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAZLWQBKWOGOIO-ZUFXTUFISA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3ccc(F)c(F)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKYGJRDGGYTORB-ZUHDPNGNSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3ccc(Br)cc3Cl)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWPVHYBRIIHPSA-MQGCXBLESA-N", "SMILES:COc1ccc(OCC(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)C3(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPKDVBJZQYYAA-OMBLBEMTSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)CCc3cccc(F)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPIMNAFLOXIEZ-KIFLDFMFSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3cc(F)cc(F)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJTKRTAWEQKHLE-PILWDZAYSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3ccc(Cl)cc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLIZQKXLAJTCO-XAHGZOFNSA-N", "SMILES:COc1ccc(OCC(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)C3(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTGAXOPYHRLCU-PILWDZAYSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3cccc(C(F)(F)F)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQOFGYSCXFNUFM-ZUFXTUFISA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3ccc(Br)c(Cl)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVAHUSOLVZWUTO-VATUJKLESA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3ccc4ccccc4c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKUMVQVEVEKEC-ZONLJJFTSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3ccc4ccccc4c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNCKKOHQQLNCY-ULUMWSQISA-N", "SMILES:CCCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCQYBHSDNWQLAS-RLGDLGOESA-N", "SMILES:CCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODFCHUDBQIQAH-QAYVNIIMSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHZBRFONZANPNK-ZYHFAYPJSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKNIPZHPCWIDI-AOTTWXCTSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3655715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEPTYDLLXMPLJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLADVUNGKPXPMX-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGLOPWIQZGBWRF-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOBNUZBAFCVJM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCn1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSGQFSVVMZXOLX-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODMXJEXAQZKNMV-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INJSPYUOTZNFSF-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLIOOFJTHOJPZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-n1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1435753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOZFVBDEURHNMJ-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIFJJRRCTKAIGB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1394251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRFSFFXXTXEMAV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)c1ccc(-n2sc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZLYYYXSWYYKL-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKCDKWJRHGJSRF-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGQHKDFEAOOGSS-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1CCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3219171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMXCENGODLQED-UHFFFAOYSA-N", "SMILES:CC(C)Cn1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUQJUCVPPUJQBJ-UHFFFAOYSA-N", "SMILES:C=CCn1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMSMPAJRVJJAGA-UHFFFAOYSA-N", "SMILES:O=c1[nH]sc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZCWSJDCWBINO-UHFFFAOYSA-N", "SMILES:CCCn1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1710047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWXSJCICPOOKO-UHFFFAOYSA-N", "SMILES:Cn1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTGDQWAFWFLJIG-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1096283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVMPTWWKLKLPB-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL212218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAZPZCJNPPHGV-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOUHYIBNRERGL-BVVYRRMQSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)Cn1[nH]c(=O)c2c([N+](=O)[O-])cccc2c1=O)[C@@H](C)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYANSOIENDYDCG-CABCVRRESA-N", "SMILES:CC1=CC[C@@H]([C@@](C)(O)CCCC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLPMRQHCOLESF-SFMCKYFRSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455098", "category": ["biolink:ChemicalEntity"], "name": "beta-AMYRIN", "xref": ["InChIKey:JFSHUTJDVKUMTJ-QHPUVITPSA-N", "SMILES:CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452683", "category": ["biolink:ChemicalEntity"], "name": "NEROL", "xref": ["InChIKey:GLZPCOQZEFWAFX-YFHOEESVSA-N", "SMILES:CC(C)=CCC/C(C)=C\\CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3181881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNCMAKCNVRZFX-UHFFFAOYSA-N", "SMILES:CC(C)CCCC(C)CCO"], "chembl_natural_product": true}
{"name": "Multidrug export protein MepA", "xref": ["CHEMBL.TARGET:CHEMBL4295596"], "id": "UniProtKB:Q2G140", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYOADKBABEMIQ-OWMUPTOHSA-N", "SMILES:C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL140796", "category": ["biolink:ChemicalEntity"], "name": "ISOPIMPINELLIN", "xref": ["InChIKey:DFMAXQKDIGCMTL-UHFFFAOYSA-N", "SMILES:COc1c2ccoc2c(OC)c2oc(=O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJHIAFMJWJDPY-RNMQXKKQSA-N", "SMILES:COc1ccc(/C=C/[C@@H]2c3c(cc(O)cc3OC)C[C@H]3c4ccc(O)cc4O[C@H](c4ccccc4)[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXVLAYNWDNODS-GQCTYLIASA-N", "SMILES:COc1ccc(/C=C/C(=O)c2cc(O)c(O)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023358", "category": ["biolink:ChemicalEntity"], "name": "OLYMPICIN A", "xref": ["InChIKey:UMIJNJJRYSRDPG-KMPOOHAWSA-N", "SMILES:CC[C@H](C)C(=O)c1c(O)cc(O)cc1OC/C=C(\\C)CCC=C(C)C"], "chembl_natural_product": true}
{"name": "UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase", "xref": ["CHEMBL.TARGET:CHEMBL5291569"], "id": "UniProtKB:P9WJL3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIZALPJQLQNTTA-VMPITWQZSA-N", "SMILES:CC(C)/C=C/CCCCC(=O)NCc1ccc(O)c(OCc2nnc(Nc3cccc(Br)c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYEIAXGIGYEYCZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(-c2ccc(F)cc2)cn(-c2ccc(C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFFZYNFONVFRDW-TZOAMJEDSA-N", "SMILES:CCOC(=O)/C=C/C(C)=C/c1ccc2c(c1)CCC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUIMYKUDIWTVKZ-JHVODGNPSA-N", "SMILES:CC(/C=C/C(=O)N1CCCC1)=C\\c1ccc2c(c1)CCC(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEOFXBVVJBHMGB-UHFFFAOYSA-N", "SMILES:CC(C)=CCC1=C(NCCO)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBGDGBWPUYOCJ-UHFFFAOYSA-N", "SMILES:CC(C)=CC1=C(NCCO)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLREAHQWRGRRD-UHFFFAOYSA-N", "SMILES:CC(C)=CCC1=C(NCCCO)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVXYBBXNADKBG-CSKARUKUSA-N", "SMILES:CCN(CC)C(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXJPSCCVDZEZAD-YRNVUSSQSA-N", "SMILES:COC(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAUKKIPOQJCGOE-SITOFEAGSA-N", "SMILES:O=C(/C=C/c1ccco1)N/N=C/c1ccc(Br)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTCXFULSWZIJC-PBFBHLFASA-N", "SMILES:COc1cc(/C=C/C(=O)N/N=C/c2ccc[nH]2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDACWMHIKWNAEO-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(Cl)c(C(=O)N(Cc2ccccc2)c2ccc(O)c(C(C)(C)C)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQKRWNUFQHJDF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccc(Cn2ccc(OCc3c(-c4ccccc4Cl)noc3-c3cccs3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLXDPBMGLDBHW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccc(Cn2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3cccs3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXLUECJMLOUNFQ-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccn(Cc2ccc(-c3ccccc3C(=O)O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCECHLYETZYWFB-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccn(-c2cccc(C(=O)O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIWHUPIUUZFFK-QGQYPFNWSA-M", "SMILES:CC[C@H]1[C@@H](O)C2C3CC[C@H](C(C)CCOS(=O)(=O)[O-])[C@@]3(C)CCC2[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYMDDQXDKXNMIX-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1c(-c2ccc(F)cc2)nc2ncccn12)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQKVAQEZZDPLI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)(C)c2cnc(SCCNCc3cccnc3)n2-c2ccc(F)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIVPJHNZPFIAA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)(C)c2cnc(SCCOc3c(F)cccc3Cl)n2-c2ccc(F)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUSMFHQIBSCXSD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)(C)c2nnc(SCCOc3ccc(-n4cnc(-c5ccsc5)c4)cc3)n2-c2ccc(F)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJPDKYVAWNITCV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CC2CCC(c3c(C(=O)N4CCC(c5ccc(F)cc5)C4)cnn3-c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHAZYDVKUOVAIP-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1OCCCC(=O)N1CCCc2c(-c3cnn(Cc4c(F)cc(C(=O)NCCS(=O)(=O)O)cc4Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGDPEBQCSIXRIY-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1OCCCC(=O)N1CCC(Cc2cccc(C(=O)NCCS(=O)(=O)O)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3794175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCFQZZMKMQQAL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)(C)c2cnc(SCc3c(F)cccc3Cl)n2-c2ccc(F)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUSILKKRBSBCC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(SCc3c(F)cccc3Cl)n2-c2ccc(F)cc2F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHYHSJAIYOYRFT-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC3(COC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKGDLFHYVYQSSB-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnnc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQSRSLXBHPLMPS-UHFFFAOYSA-N", "SMILES:O=C(c1ccncc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CISVBBOTTIAQAU-VTDQCJOPSA-N", "SMILES:Cc1cc(/C(C[C@H](c2ccc(C3C[C@@H]4C(C(=O)O)[C@@H]4C3)cc2)c2ccc(F)cc2F)=N\\O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAQMQYVQDJKISM-HKACAWAVSA-N", "SMILES:Cc1ccccc1[C@H](C/C(=N/O)C1CCC(=O)N(C)C1)c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKZNQOQXXZLDR-FCZGTTMTSA-N", "SMILES:Cc1ccccc1[C@H](C/C(=N/O)c1ccc(=O)n(C)n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUDLRSBLCWZFJU-UHFFFAOYSA-N", "SMILES:CN1CC(C)(C)N(C(=O)COc2cccc3cnccc23)c2ccc(F)cc21"]}
{"name": "G-protein coupled bile acid receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL1075223"], "id": "UniProtKB:Q80T02", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDBJUAOFXKQPOE-XNMGPUDCSA-N", "SMILES:CNc1cccc([C@H]2O[C@H](CC(=O)Nc3ccccc3F)C(=O)N(CC(C)C)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPPACUREWWIJX-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCOc2nccc(-c3ccccc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKSWZAKLOZVZNH-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc(-c2ccc(F)cc2)n1NCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJWAQMOGQBMLSI-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(CNCc2cc3ccsc3nc2-c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEDVGXMMNXDSS-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCn2cccc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVQIRVHYLSBTCP-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRUSGINQBXCFTA-UHFFFAOYSA-N", "SMILES:Fc1cccc(F)c1-c1ccncc1CN1C(c2ccco2)=NOC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTJEWIAGFGJKP-GXPVXDPRSA-N", "SMILES:CC(C[C@H](C)C(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGOJCRRHLDVIG-UHFFFAOYSA-N", "SMILES:Cc1noc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDXGCWULDSNOC-UHFFFAOYSA-N", "SMILES:O=c1c2cccnc2nc(-c2cncc(Cl)c2)n1NCc1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWZJZBRAAGXRQD-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2c(COc3cccc4cnccc34)nc3ccccc32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTDZVRUNZVEBLE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc3nnc(SCc4c(F)cccc4Cl)n23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGFAQOBZJPMIO-UHFFFAOYSA-N", "SMILES:O=c1c2nccnc2nc(-c2ccc(F)cc2)n1CCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMTCRPQCPOPFMA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)ccc1N(C(=O)COc1cccc2cnccc12)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUWWSYKIIGDIU-UHFFFAOYSA-N", "SMILES:Brc1ccc(CCNCc2cc3ccncc3nc2-c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOAFQYMHNPHON-XMMPIXPASA-N", "SMILES:Fc1cccc(F)c1-c1ccncc1CN1C(c2ccco2)=NO[C@@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWCKPPVKMELQG-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1ccncc1CN1C(c2ccco2)=NOC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYRFODIOMJIFC-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1ccncc1CN1C(c2ccco2)=NOC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBAJTIAHTZYESI-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1ccncc1CN1C(c2ccccc2)=NOC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVASBUNZQLUXCB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnn[nH]1)c1cc(Cl)c(Oc2ncccc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQDIVACZSGTEC-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1Oc1cccc(C(F)(F)F)c1)N1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303545", "category": ["biolink:ChemicalEntity"], "name": "SB-756050", "xref": ["InChIKey:GJUFPAZNBPFNRI-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC"], "synonym": ["Sb-756050", "SB-050"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPXRVFTXTHPVCY-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCN(C2COC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVZFQTIJNREPCP-DFWQVXAKSA-N", "SMILES:C=C1[C@@H](O)CC[C@]2(C)C3CC[C@@]4(C)C(=C3CC[C@@H]12)CC[C@@H]4[C@H](C)CC[C@H](CC)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAQUGVZLORDXLZ-AJKGTPLHSA-N", "SMILES:CC[C@@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(C)=CCC[C@]4(C)C3CC[C@@]21C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBCMXATLRCCLF-RSSZJYSTSA-N", "SMILES:CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)C[C@H](C)C(=O)O)[C@@]3(C)[C@@H](O)CC2[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGNRZLPMHOISU-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTWLRQHGXNKRJB-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2cc(C#N)[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL578970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFPATDFWJXJGF-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)C1=CN(C(=O)c2cccc(F)c2)CC(C)(C)c2cc(C#N)[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALEMAFZREQJXLP-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)ccc2oc(C(=O)O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZZZYHTJLOPQT-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(ccn2Cc2ccc(-c3nnn[nH]3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVZSJAYLYHCBM-PLYLYKGUSA-N", "SMILES:CO[C@H](c1ccccc1)c1nc2cc(F)c(F)cc2n1C(C(=O)Nc1ccc(C(=O)O)cc1C)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMDOGVYSJUFPNN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1CC1CCCCC1)c1ccc(-c2nnn[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRVRCOUCMWEZPB-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)cc(C)c1OCC(c1c2c(nn1-c1ccc(Cl)cc1)CCC2)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFHRXONCCIGSO-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2nnn[nH]2)ccc1OCC(c1c2c(nn1-c1ccc(Cl)cc1)CCCCC2)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDFLHOZFGITPCJ-UHFFFAOYSA-N", "SMILES:Cc1cc(CN(C)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc2C(F)(F)F)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTWMUPBBFFKQN-JUYNHDIISA-N", "SMILES:CC(C)n1nc(C(=O)O)cc1[C@H]1C[C@](O)(c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3822803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBUXXJUEBFDQHD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C2CC2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUGQMKFPSXBJBA-ICSRJNTNSA-N", "SMILES:O=C(O)c1ccc2nc(N3CCC(OCc4c([C@H]5CCCC[C@@H]5C(F)(F)F)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPJGOVWDLAWXIW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNHTZCYSMPUFH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nc(N3CCC(OCc4c(C5CCCCC5OC(F)(F)F)noc4C4CC4)CC3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFELJCVEOYCIHK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cc(N3C4CCC3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKRZOZUJNQKHNW-WIQBFJRYSA-N", "SMILES:C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1Oc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL234371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFODZVYWAHZURL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccc4ccccc4c3)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJCDSDROQBQQE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)OCCO2)C1CCN(c2ncnc3sccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGCPFUYZATRCE-MHZLTWQESA-N", "SMILES:CNC(=O)CCCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ncc(-c2ccc(-n3cccn3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGNHMEHXGGQEJV-IBGZPJMESA-N", "SMILES:CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc(-n3cccn3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQZBDLXWLNEHF-IBGZPJMESA-N", "SMILES:CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKKXTQKFAXKMAS-FQEVSTJZSA-N", "SMILES:CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBJBSFSPKVIPC-SANMLTNESA-N", "SMILES:CNC(=O)CCCCC[C@H](NC(=O)Cn1ccc2cc(C#N)ccc21)c1ncc(-c2ccc(CN(C)C)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKWCXRQAJXHSBM-IBGZPJMESA-N", "SMILES:CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc(CN(C)C)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBEHHPDWZBUUGW-MHZLTWQESA-N", "SMILES:CNC(=O)CCCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ncc(-c2ccc(CN(C)C)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZKAPZIIFYHEMQ-QFIPXVFZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1(F)CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENNQMRQBJHCDY-HKBQPEDESA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccc3ccccc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDOWMQQXZGVXEW-QFIPXVFZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3[nH]c2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVPHNBDESFHFB-VWLOTQADSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc(-c2cc3ccccc3nc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBFAFHTXKYGPFF-DEOSSOPVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOCBGMVQRJHNRU-QHCPKHFHSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKEQAGRQJBGQAW-QFIPXVFZSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)Cn1ccnn1)c1ncc(-c2cc3ccccc3nc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKMRSPBWCHPFNO-DEOSSOPVSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2ccc3ccccc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHAIPXBAXXJAF-QHCPKHFHSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C(=O)N1CCOCC1)c1ncc(-c2cc3ccccc3nc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXDPJWJEONRBU-YSYXNDDBSA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)C1CNC(=O)C1)c1ncc(-c2cc3ccccc3nc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRLBVVRURBWCS-HKBQPEDESA-N", "SMILES:CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPAWEQJKSLZJA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLXVLHSJFJDBAD-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2cnc3ccc(-c4nc(-c5ccc6c(c5)ncn6C5CCCCC5)cn5ccnc45)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVWMHMEPCVGRJ-QNGWQDEQSA-N", "SMILES:C#CCCCC(=O)OC(C)(C)C1CCCOC(OC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWTMFTAKBRZAHX-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(Cl)cc1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FATFJWGBJFSTGQ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(N3CCCC3)cc1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNIUBLGLQXSMFJ-UHFFFAOYSA-M", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)[O-])c(O)c2O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPMCWRDXYBEBQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(S(=O)(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFURBMYHHMIKE-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(N3CCC3)cc1)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEUJCAPQABFKCJ-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccccc1S(=O)(=O)Nc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUOCNBOTJJMIBK-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCCCC(=O)Oc1ccccc1S(=O)(=O)Nc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQFGPXCVPNXLM-DENIHFKCSA-N", "SMILES:Cc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXHPZZCOKZDOHT-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJMSKIXMHHZGM-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTXAVVXHYZEELQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVBDRPKICPOPTK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWDYMVQCIGQRX-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNBRBIHSEYPSSW-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXOCFUUXSQKATK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMAMARFOVHWYLV-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXXJEUGOQLENAE-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOVYBMLGVFODNY-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUANHXURULXMN-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKFXQAAGTXHNSP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)NC(=O)CSc2nc3sccc3c(=O)n2-c2ccc(C3CC3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNOIZLCUIBXPCS-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEMQDNODGDIGHR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHIZJEPRKJIQMZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDBYZAAJDHUNC-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKCDJZBIBUWJSV-UHFFFAOYSA-N", "SMILES:CC(C)(C)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADWFKPQOJDOSAK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXQZVIZNFHNKL-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGPRDVAXOXCBB-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ccncc1C(=O)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCQEVWZKUDJFF-UHFFFAOYSA-N", "SMILES:O=C(O)CCSc1ccncc1C(=O)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXYBMBHJUHIQD-UHFFFAOYSA-N", "SMILES:O=C(O)CCCSc1ccncc1C(=O)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBLKFWUMKIMTD-UHFFFAOYSA-N", "SMILES:CC(Sc1ccncc1C(=O)N1CCc2ccccc2C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IORHURXRLNIFSG-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1ccncc1C(=O)N1CCc2ccccc2C1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUIHOSSBIVHWNQ-UHFFFAOYSA-N", "SMILES:O=C(c1cnccc1SC1(C(=O)O)CCC1)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRUINDCANXBKR-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1ccncc1C(=O)N1CCOc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMDYCFYLVVQKIN-UHFFFAOYSA-N", "SMILES:O=C(O)CCSc1ccncc1C(=O)N1CCOc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYCUUGMJBUDZIK-UHFFFAOYSA-N", "SMILES:O=C(O)CCCSc1ccncc1C(=O)N1CCOc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUSBSYAJLFYXKU-UHFFFAOYSA-N", "SMILES:CC(Sc1ccncc1C(=O)N1CCOc2ccccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTZMLBLGNPOJGM-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1ccncc1C(=O)N1CCOc2ccccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUYZSTYVEFEBTJ-UHFFFAOYSA-N", "SMILES:O=C(c1cnccc1SC1(C(=O)O)CCC1)N1CCOc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAAQIGVEADTLPN-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3ccc(C#N)c(F)c3)N=C(N3CCC(N)CC3)N(C)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNKDSVOQXRNSH-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHQQQQMAAXUIM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(F)c(F)cc3C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEWELZDZIPFHC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQDPVYCOATYTF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZEJDZJLCPRZON-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEKBJSQKYKTCID-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJEWMZOLEPWXQF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZPBJSZSVXRKX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVALODRZDBURCU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZLASYPVIGKGEN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZQGDMDOSTQEG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUEBCMOPBYJOQJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(F)ccc1-c1nnn[nH]1)c1ccc(-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJHVDJXEKEZSE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnn[nH]2)c(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUGDYIBOOBDLTL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(Br)cc1-c1nnn[nH]1)c1ccc(-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWGODZVELTUMGF-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(F)cc1-c1nnn[nH]1)c1ccc(C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUQKLCSXFHSAS-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMSXJJTSYODIS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVCBUESKYLIDNI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCCN(Cc5ccccc5)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGVNBMYDEARTLD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCCN(Cc5ccccc5F)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOTPCGVBBMRUMR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCCC(COc3cccc(-c4nc(-c5ccc(C)nc5)no4)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKQUJZHAZWONQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccccc5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIQWPSGFYFVEPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccc(F)cc5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSACCWNHUDYWJF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccccc5F)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWRMNXGOONBATM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCCN(C(=O)c5ccccc5)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYUYZSBFPDXTD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCCN(C(=O)c5ccc(F)cc5)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSNRGUMBXCABQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(C(=O)c5ccccc5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNJRWGHRGRQMS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccncc5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWGYPZKFKDPQN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5cccnc5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVVRRZYAUSJKMF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccccn5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDLLUDZHMHZSLM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccco5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUKHRCMPDNXJF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccc(Cl)o5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHNZJVAEHOCOHY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccc(Br)o5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSJHXGJAMBCDJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5cccc(F)c5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCVVXOCMDDQGK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5cccc(Cl)c5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTWPYOPUGDXID-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccccc5Cl)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBLQYFTYDOKZCN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccc(C#N)cc5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVXXPAWPKIVYJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccc(F)c(F)c5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRHHWYNKZWHUJZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCN(Cc5ccc(C)c(C)c5)CC4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGKHCYVXQXVNFK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(OCC4CCCN(Cc5ccc(F)cc5)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWLVCNXTBRNRDJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCC(COc3cccc(-c4nc(-c5ccc(C)nc5)no4)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVBWOOCWVHCLW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)NC1CCN(C(=O)CCl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFRDIYLDFOPDA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CCN(C(=O)CCl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHILXDOMAWLEMQ-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCN(C(=O)Nc2ccc(Cl)c(-c3ccccc3F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXHZHGRHRYYRQ-LJIPXUHXSA-N", "SMILES:C=CCONC(=O)CCSSCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]2/C(=C(\\CCC=C(C)C)C(=O)OCc4ccccc4)[C@@H](OC(C)=O)C[C@@]23C)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMOGNAXFOERPS-UHFFFAOYSA-N", "SMILES:O=C(NCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPPXVHKCHZTIK-ZDSJKMSPSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c(OCCNC(=O)c2ccccc2NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)Cc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZUOEZBQUKEEEL-LLRYOLIBSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c(OCCOCCNC(=O)c2ccccc2NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)Cc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNCJGHAWKIMBIN-VVDNDRTASA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c(OCCOCCOCCOCCNC(=O)c2ccccc2NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)Cc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPPXVHKCHZTIK-VQJUJIIGSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c(OCCNC(=O)c2ccccc2NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)Cc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTPYMVOJJMUGG-UIOOFZCWSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYAJEGBJMODZBK-SUINSPNHSA-N", "SMILES:CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\\CCc2cc(O)c(SC)c(c2O)NC(=O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5278117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJCTWUSOTYPZSD-TZHAALFUSA-N", "SMILES:CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\\CCC2=C(SC)C(=O)C=C(NC(=O)C1)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSNBMQKGUKOJG-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc(C(=O)c2ccc(Cn3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMQUGFIEOLTBN-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(C(=O)c2ccc(Cn3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWRQKYUARNICSZ-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc(C(=O)c2ccc(Cn3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJRWHJYIPWHMBI-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(=O)c2ccc(Cn3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGKTFSJXLZOEA-UHFFFAOYSA-N", "SMILES:CCC#CCOc1ccc(C(=O)c2cccc(Cn3ccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGOVBVSWKWWWAJ-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(C(=O)c2cccc(Cn3ccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTUXSJNSUCYHQN-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc(C(=O)c2cccc(Cn3ccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZQSNZFKSUZJE-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C(=O)c2cccc(Cn3ccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYPDRZWNQJOGAA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2cccc(Cn3ccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUOYRYPDXFOSKY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)cc1)c1cccc(Cn2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSALEOLNACYNDD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2ccc(Cn3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCUMULLGAIVBA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)cc1)c1ccc(Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHPTEMCMQNUPY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2ccnc2)cc1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMMLCWOBZGXIRR-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLPHKBRICRKCX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5ccc(N)cc5)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLABYBQNTJICLV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5ccc(N6CCNCC6)cc5)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRZHHZBMAPSKJB-CBPFNHIYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)CCCCCCCCCCC(=O)N[C@@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMBFZCSGOOTQOG-WDXSTBBASA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5ccc(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCc6ccc(-c7scnc7C)cc6)C(C)(C)C)cc5)n[nH]c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBNAPRUSKNYKK-KVDJATBYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5ccc(N)cc5)nn(C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)c4c3)cn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADQLECAYDOTLPN-HKWRFOASSA-N", "SMILES:COc1ccc(/C=C2\\SC(=O)N(CCNC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZALWOMKKPDGK-RGEXLXHISA-N", "SMILES:Cc1c(NC(=O)NCCN2C(=O)S/C(=C\\c3ccc([N+](=O)[O-])cc3)C2=O)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDSDNMJXILQXBF-QNGOZBTKSA-N", "SMILES:COc1cc(/C=C2\\SC(=O)N(CCNC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILUXIJYFKKUDT-PDGQHHTCSA-N", "SMILES:Cc1c(NC(=O)CN2C(=O)S/C(=C\\c3ccc(Br)cc3)C2=O)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMYUKAIOWLABZ-VWNXMTODSA-N", "SMILES:COc1ccc([C@H]2c3[nH]c4ccc(Br)cc4c3C[C@@H]3C(=O)N(C4CCCCC4)C(=S)N23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHBSFJVFMYDDOV-VWNXMTODSA-N", "SMILES:COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCCC4)C(=S)N23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSXSCWMFRNQSCG-UHFFFAOYSA-N", "SMILES:Brc1ccc2[nH]c3c(c2c1)CCCC3n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLUISXYQXUZPG-VWNXMTODSA-N", "SMILES:COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3C[C@@H]3C(=O)N(C4CCCCC4)C(=S)N23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVBXTRNOJACAP-FKAUWHHISA-N", "SMILES:C=C1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@](C)(OC(=O)c3ccncc3)[C@H](OC(C)=O)[C@@H]2[C@H]1OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CALJJAUWTUBRFR-SYVWPLIESA-N", "SMILES:C=C1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@](C)(OC(=O)C(C)(C)C)[C@H](OC(C)=O)[C@@H]2[C@H]1OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1159896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAUHFKDKQAMMJE-UHFFFAOYSA-N", "SMILES:CC(N)CSc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAEPZQUIWYQOMM-UHFFFAOYSA-N", "SMILES:CC(N)CSc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMESUEMHHXBQHT-UHFFFAOYSA-N", "SMILES:CC(N)CSc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGFRYSKJIWNDKV-UHFFFAOYSA-N", "SMILES:CC(N)CSc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNTXLFYUMPDAO-UHFFFAOYSA-N", "SMILES:CC(N)C[Se]c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCPDWWNSOGADD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1[Se]CC(C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODELKMGNTMYKNY-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1[Se]CC(C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHHVGXCZBPIOY-UHFFFAOYSA-N", "SMILES:COc1ccc([Se]CC(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZHUPJVVCOSHEX-UHFFFAOYSA-N", "SMILES:CC(N)C[Se]c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRSGELMMHCWCAJ-UHFFFAOYSA-N", "SMILES:CC(N)C[Se]c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JESDTRFBYJMEGO-UHFFFAOYSA-N", "SMILES:CC(N)C[Te]c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKTWDUKXLXNUMA-UHFFFAOYSA-N", "SMILES:Cc1ccc([Te]CC(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVZRIDYADGWAAZ-UHFFFAOYSA-N", "SMILES:COc1ccc([Te]CC(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHNXNYNHUXRHB-UHFFFAOYSA-N", "SMILES:COc1cc([Te]CC(C)N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYAUSNMYLJZYSM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CCCCCCNC(=O)C(O)(O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBQXLWLFWBPTA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ncc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBKMQANWHYGLM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBJGGOAPOFCPMT-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(NC(=O)CCCCCCNC(=O)C(O)(O)C(F)(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXOZDYPHTOUBCX-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ncc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDUSHBFRJPLNJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDVXYJRPBFZAJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALWAFPQKUFSFNP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYUKUIOYGHLJO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(NC(=O)CCCCCCNC(=O)C(O)(O)C(F)(F)F)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFFMCHUCKPYGQZ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ncc(-c2ccc(Br)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMYVJNQAJVBXBM-KHPPLWFESA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(CC(=O)OCCOc2cc(/C=C\\c3cc(OC)c(OC)c(OC)c3)ccc2OC)cc1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHCPIMRHIXPAZ-SEYXRHQNSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(CC(=O)OCCOc2cc(/C=C\\c3cc(OC)c(OC)c(OC)c3)ccc2OC)cc1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDBPZWFHFXNHLJ-YPKPFQOOSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(CC(=O)OCCOc2cc(/C=C\\c3cc(OC)c(OC)c(OC)c3)ccc2OC)cc1)c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIYGCIKPYJZPQZ-YPKPFQOOSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(CCCC(=O)OCCOc2cc(/C=C\\c3cc(OC)c(OC)c(OC)c3)ccc2OC)cc1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMSQVMMNJBNNML-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C)c2ccc3ccc4ccc1c2c43"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVAPRPWSANMJL-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2cc(S(N)(=O)=O)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYHBAVPJYZASEO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2cc(S(=O)(=O)NC3CC3)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTRFJTVFKKFQSZ-LBEJWNQZSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4ccccc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCAWFUYZZSJUAF-VRTOBVRTSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4ccccc4F)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSYKSOFHBXTJID-BXTVWIJMSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4cccc(F)c4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZOYDUXRENFICS-AAGWESIMSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4ccc(F)cc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJICIOFNXVVYEW-VRTOBVRTSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4ccccc4Cl)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPMUTFVJDMONU-BXTVWIJMSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4cccc(Cl)c4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVDUPUJMYYICJ-AAGWESIMSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4ccc(Cl)cc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZOFROCCMCTZFQ-VRTOBVRTSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4ccccc4Br)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQIUADYNAEWEC-BXTVWIJMSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4cccc(Br)c4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNOMQYJEJVZYSS-AAGWESIMSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4ccc(Br)cc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFKLCZULFOFBC-LBEJWNQZSA-N", "SMILES:Cc1ccccc1CN1CC=C(/C=C/c2ccc3cccc(O)c3n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEEQRYIQIULVPA-VRTOBVRTSA-N", "SMILES:Cc1cccc(CN2CC=C(/C=C/c3ccc4cccc(O)c4n3)CC2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCZSLBWYUAIDHX-LBEJWNQZSA-N", "SMILES:Cc1ccc(CN2CC=C(/C=C/c3ccc4cccc(O)c4n3)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYLXSUJRVBKCOT-VRTOBVRTSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4ccccc4C(F)(F)F)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QONTYVLPUASHSW-BXTVWIJMSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGOZFYHXKOOBOR-AAGWESIMSA-N", "SMILES:Cl.Oc1cccc2ccc(/C=C/C3=CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIFREJOCNRWKDE-UHDJGPCESA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccccc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLONFKFAJKENQA-IPZCTEOASA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccccc4F)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJLBWCGEEXDVKK-FXRZFVDSSA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4cccc(F)c4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXASSOIFBDGGSR-ZIKNSQGESA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccc(F)cc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGKMXWMACMNIO-IPZCTEOASA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccccc4Cl)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMFXFNXEZUOCG-FXRZFVDSSA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4cccc(Cl)c4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXTULVQDENSOBU-ZIKNSQGESA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccc(Cl)cc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJXBAISVHPUCNX-IPZCTEOASA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccccc4Br)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYIJDIJIZZEOV-FXRZFVDSSA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4cccc(Br)c4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMSSJLSQEIITNN-ZIKNSQGESA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccc(Br)cc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVXDOQIIBLLGIL-UHDJGPCESA-N", "SMILES:Cc1ccccc1CN1CC=C(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECGJPLOFASEPS-IPZCTEOASA-N", "SMILES:Cc1cccc(CN2CC=C(/C=C/c3ccc4c(Cl)cc(Cl)c(O)c4n3)CC2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZWFCCKAXUEFV-UHDJGPCESA-N", "SMILES:Cc1ccc(CN2CC=C(/C=C/c3ccc4c(Cl)cc(Cl)c(O)c4n3)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXCCNKZZBYQXNA-IPZCTEOASA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccccc4C(F)(F)F)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFDLSUYNEZBEIS-FXRZFVDSSA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXYRFHROEHADHN-ZIKNSQGESA-N", "SMILES:Cl.Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZVSNNZOFHEDDQ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(NC(=O)NCCCn3cncc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGQBWUPWPHJCNV-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(N(CC3CCCC3)C(=O)NCCCn3cncc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHAUVAOYPJJBW-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(N(Cc3ccc(F)cc3)C(=O)NCCCn3cncc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRTXXANHKUHBCX-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(N(Cc3cccnc3)C(=O)NCCCn3cncc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWKOIVNSZJZOOM-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(N(C(=O)NCCCn3cncc3C)C3CCCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQHVVGFRKRTBI-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(N(C(=O)NCCCn3cncc3C)C3CCN(C)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKTDIFOPYPZXMP-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2cc(NC(=O)NCCCn3cncc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLGBUJTSJJZBF-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2cc(N(CC3CCCC3)C(=O)NCCCn3cncc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBGFIUYVZLANC-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2cc(N(Cc3ccc(F)cc3)C(=O)NCCCn3cncc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUKJNXJUAUYIE-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2cc(N(Cc3cccnc3)C(=O)NCCCn3cncc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNNKKRXOIYPTHU-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2cc(N(C(=O)NCCCn3cncc3C)C3CCCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQPPVODRZFDGG-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2cc(N(C(=O)NCCCn3cncc3C)C3CCN(C)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNMSYSDHVPMBST-UHFFFAOYSA-N", "SMILES:Cc1nn(CCN2CCN(C)CC2)c2cc(NC(=O)NCCCn3cncc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLWILKXBTARENM-UHFFFAOYSA-N", "SMILES:Cc1nn(CCCCc2ccnc(N)c2)c2cc(NC(=O)NCCCn3cncc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJXTTAQKCAFJX-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=O)N(Cc1ccc(F)cc1)c1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKHXGWQUKKGBE-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=O)N(Cc1ccc(F)cc1)c1ccc2cnn(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUETXBMLMXGHAV-UHFFFAOYSA-N", "SMILES:CCCn1ncc2ccc(N(Cc3ccc(F)cc3)C(=O)NCCCn3cncc3C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGLRRCLKNZCCB-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=O)N(Cc1ccc(F)cc1)c1ccc2c(C)n(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVPDKRLZLPNKZ-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=O)N(Cc1cccnc1)c1ccc2c(C)n(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYWLJLRFMOOCU-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(NC(=O)NCCCn3cncc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXQJYIUQRQZJB-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(N(CC3CCCC3)C(=O)NCCCn3cncc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJOUJSKACEFGI-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(N(Cc3ccc(F)cc3)C(=O)NCCCn3cncc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYQANKAGDNHPU-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(N(C(=O)NCCCn3cncc3C)C3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTZHYZXLMOJPP-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2ccc(NC(=O)NCCCn3cncc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVYLHTBEBXIUEE-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2ccc(N(CC3CCCC3)C(=O)NCCCn3cncc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQTAXPXFMBBVCF-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2ccc(N(Cc3ccc(F)cc3)C(=O)NCCCn3cncc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOABSUIATFUZCK-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2ccc(N(Cc3cccnc3)C(=O)NCCCn3cncc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJVEARSRKGSRM-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2ccc(N(C(=O)NCCCn3cncc3C)C3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHULIXDZWCMXRI-UHFFFAOYSA-N", "SMILES:Cc1nn(CCN2CCN(C)CC2)c2ccc(NC(=O)NCCCn3cncc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRSZHRHGSHEGOQ-UHFFFAOYSA-N", "SMILES:Cc1nn(CCCCc2ccnc(N)c2)c2ccc(NC(=O)NCCCn3cncc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVXFFBOQLXYBZ-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=O)N(CC1CCCCC1)c1ccc2nn(C)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZCSDLWBPQSDT-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=O)N(Cc1ccc(F)cc1)c1ccc2nn(C)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWBWAWXGNZXOZ-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCNC(=O)N(Cc1cccnc1)c1ccc2nn(C)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFYJMHRJESJTBE-CXUHLZMHSA-N", "SMILES:O=C1/C(=C/c2ccc(N3CCCC3)cc2)Cc2cc3c(cc21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXXWLARMXXMGZ-QJRONVNXSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXXWLARMXXMGZ-HRQFBLKKSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEUNKXAIWRWNTD-RBQJQTRVSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@H](C)O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEUNKXAIWRWNTD-BJVUKCLFSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNHYPSHRYPZFT-PWYZCTJBSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN[C@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@H](C)O)[C@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNHYPSHRYPZFT-BJVUKCLFSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN[C@@H](CS)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYCSSSDWYHYSKL-ATZFVZJKSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVURTVYPVLYLSO-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc2cc(Nc3nccc(-c4cccnc4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABFQRGJZHUTVJW-JFLMPSFJSA-N", "SMILES:O=C(N/N=C/c1ccncc1)c1cc2cc(Nc3ccnc4ccccc34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAVFQTKGEMPOFJ-DPNNOFEESA-N", "SMILES:COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc(Nc3cc(C)nc4c(OC)cccc34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDQXAQYEABCNQH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUEHWCIGDAELEE-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1COCCOCCOn1cc(CCCCCC(=O)CC23CC4CC(CC(C4)C2)C3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSUAZDYAGLGCM-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC1CCCc2c1[nH]c1ccc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2094306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBOYZSVLHCWLHP-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3c(c2c1)CCCC3NCCCOc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPUECXJHQGUDU-JLHYYAGUSA-N", "SMILES:CCCCC/N=C(\\N)NN/C=C1\\C=Nc2ccc(CO)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBUQBDZOTQNSCJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(CO)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYMYKHSDMIJPH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1NC(=O)CCN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFLDUOEZJJQLJ-ZMOGYAJESA-N", "SMILES:CCc1ccc2oc(-c3cc(/N=C/c4cccc(C)c4O)ccc3O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKBGCOAKLEIOU-FSJBWODESA-N", "SMILES:COc1cccc(/C=N/c2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQWZSFIFVHOAC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)CSc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)sc2c1CCN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSHYWYSRDNVOT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)CSc2nnc3c4ccccc4c4ccccc4c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAFOCQEOFQHLA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2cn(CC(O)CN3CCc4ccccc4C3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHHLKQFSVSDZNK-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cn(CC(O)CN3CCc4ccccc4C3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLLPKLPZNALGX-UHFFFAOYSA-N", "SMILES:OC(CN1CCc2ccccc2C1)Cn1cc(-c2cccc(NC3CCOCC3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSZIJWRHOTZPA-UHFFFAOYSA-N", "SMILES:OC(CN1CCc2ccccc2C1)Cn1cc(-c2cccc(NC3CCC3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUEVYCYBGSCYIY-NVNXTCNLSA-N", "SMILES:COc1cc(Cl)cc(/C=C2\\SC(c3ccc(C)cc3)=NC2=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXAVEIUFHAINV-DHDCSXOGSA-N", "SMILES:Cc1ccc(C2=NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZQBJASSZSVUTI-NVNXTCNLSA-N", "SMILES:COc1cc(Br)cc(/C=C2\\SC(c3ccc(C)cc3)=NC2=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWOOWAHTEXIWBO-QFRSUPTLSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITEKIFMGFZAFPM-QFRSUPTLSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZELPSNZTZPTEZ-IZOOLLGQSA-N", "SMILES:C[C@@](O)(c1ccc(Cl)cc1)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4249337", "category": ["biolink:ChemicalEntity"], "name": "ONAMETOSTAT", "xref": ["InChIKey:DBSMLQTUDJVICQ-CJODITQLSA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2cc1Br"], "synonym": ["Onametostat", "Jnj-64619178", "Onametostat", "JNJ-64619178", "JNJ64619178"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHNSYFOBQQCHE-GBXCTRARSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@H](CCNC(=N)NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGPUBUWBOCZRP-JWCPYIQLSA-N", "SMILES:C[C@@H]1[C@H](O)[C@@H](CSCCCNC(=N)NCCCC[C@@H](N)C(N)=O)O[C@H]1n1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKVUIWZYZMQPU-NWWWNNGFSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@H](CCNC(=N)NCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPBCVTUBBBNJJ-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1ccccc13"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4580482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMARRQIRRJWEZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTOGOKFHJKDBP-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Nc1nc3ccccc3c3ccnc-2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUBPZOIQSHIRX-UHFFFAOYSA-N", "SMILES:O=c1c(Cc2c[nH]c3ccccc23)nccc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522782", "category": ["biolink:ChemicalEntity"], "name": "PROCHLORAZ", "xref": ["InChIKey:TVLSRXXIMLFWEO-UHFFFAOYSA-N", "SMILES:CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1276127", "category": ["biolink:ChemicalEntity"], "name": "INDIRUBIN", "xref": ["InChIKey:CRDNMYFJWFXOCH-YPKPFQOOSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1/Nc2ccccc2C1=O"], "synonym": ["Indirubin", "Couroupitine b", "Indirubin", "C.I. 75790", "NSC-105327"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL599552", "category": ["biolink:ChemicalEntity"], "name": "INDIGO", "xref": ["InChIKey:COHYTHOBJLSHDF-BUHFOSPRSA-N", "SMILES:O=C1/C(=C2\\Nc3ccccc3C2=O)Nc2ccccc21"], "synonym": ["Indigo", "Ao201", "Ci 73000", "Indigo", "Indigo blue", "Indigo whole", "Indigofera orthocarpa whole", "Indigofera tinctoria", "Indigofera tinctoria whole", "Indigotin", "Nila whole", "Nili whole", "Nilika whole", "Nilini whole", "True indigo whole", "C.I.73000", "NSC-8645"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL179510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPYNXGXZRLLHM-OWOJBTEDSA-N", "SMILES:FC(F)(F)c1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFGRNBWAUZSMBN-UHFFFAOYSA-N", "SMILES:CC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccc(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMDVICPTGUSZQW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3ccccc3c2=O)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSSGBPKFVJOAIZ-LBPRGKRZSA-N", "SMILES:C[C@@H](CO)NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RABNJRDCQVHCQF-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)C(F)(F)F)c1cc(-c2ccc(OC(F)(F)F)cc2)nn(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRGGKFXUJGRKIJ-NMRXSTGRSA-N", "SMILES:CC(C)c1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3252119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYFVEIDRTLBMHG-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USKKDNORVCJALM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2c(C)cccc2c1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5278759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFJWMFPFMLRLMI-UHFFFAOYSA-N", "SMILES:O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4303221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFHMYJZJZLMHW-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3csc4ccccc34)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQNWEBDHUKPBFV-GHRIWEEISA-N", "SMILES:CN1C(=S)N(C2CCCCC2)C(=O)/C1=C\\c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLSECHWCVRZKP-GHRIWEEISA-N", "SMILES:CN1C(=S)N(c2ccccc2)C(=O)/C1=C\\c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTAXOQPARRPELE-XDJHFCHBSA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\C(=O)N(C3CCCCC3)C(=S)N2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSMAEYGRDFLDK-XDJHFCHBSA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\C(=O)N(c3ccccc3)C(=S)N2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIXYNJXSCQFPE-NBVRZTHBSA-N", "SMILES:CN1C(=S)N(C2CCCCC2)C(=O)/C1=C\\c1ccc(N(C)CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNGIFXJOIFIXBT-NBVRZTHBSA-N", "SMILES:CN1C(=S)N(c2ccccc2)C(=O)/C1=C\\c1ccc(N(C)CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFMYUTWVLMHLAH-XDJHFCHBSA-N", "SMILES:CN1C(=S)N(C2CCCCC2)C(=O)/C1=C\\c1ccc(N(C)CCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHDQQCWGCPBFW-XDJHFCHBSA-N", "SMILES:CN1C(=S)N(c2ccccc2)C(=O)/C1=C\\c1ccc(N(C)CCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJPOARFKDXYGC-SFQUDFHCSA-N", "SMILES:COc1cc(N(C)C)ccc1/C=C1\\C(=O)N(c2ccccc2)C(=S)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHCWZKPITZWOW-XMHGGMMESA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\C(=O)N(C3CCCCC3)C(=S)N2C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQXMZBRXQKHABV-XMHGGMMESA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\C(=O)N(c3ccccc3)C(=S)N2C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIEJGXFJBCVLIW-QGOAFFKASA-N", "SMILES:COc1cc(N(C)CCO)ccc1/C=C1\\C(=O)N(C2CCCCC2)C(=S)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWMRZQQUPHANSG-QGOAFFKASA-N", "SMILES:COc1cc(N(C)CCO)ccc1/C=C1\\C(=O)N(c2ccccc2)C(=S)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLNZLVVZHDDSY-XMHGGMMESA-N", "SMILES:COc1cc(N(C)CCCO)ccc1/C=C1\\C(=O)N(C2CCCCC2)C(=S)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFRGRCHCSZSNP-XMHGGMMESA-N", "SMILES:COc1cc(N(C)CCCO)ccc1/C=C1\\C(=O)N(c2ccccc2)C(=S)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHINPLABJJMGEG-LFIBNONCSA-N", "SMILES:CN1C(=S)N(C2CCCCC2)C(=O)/C1=C\\c1ccc(N(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAEIDNUMTXOSSM-LFIBNONCSA-N", "SMILES:CN1C(=S)N(c2ccccc2)C(=O)/C1=C\\c1ccc(N(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMJURUWKJMZCJ-QGOAFFKASA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\C(=O)N(C3CCCCC3)C(=S)N2C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYJTYHFEOAUEZ-QGOAFFKASA-N", "SMILES:CCN(CC)c1ccc(/C=C2\\C(=O)N(c3ccccc3)C(=S)N2C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODPBDBGVZVJLFJ-SFQUDFHCSA-N", "SMILES:CN1C(=S)N(C2CCCCC2)C(=O)/C1=C\\c1ccc(N(C)CCO)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTQKBGERFHCOI-SFQUDFHCSA-N", "SMILES:CN1C(=S)N(c2ccccc2)C(=O)/C1=C\\c1ccc(N(C)CCO)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZOFUZQBABTJT-QGOAFFKASA-N", "SMILES:CN1C(=S)N(C2CCCCC2)C(=O)/C1=C\\c1ccc(N(C)CCCO)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDZIYYMSKMRAQ-QGOAFFKASA-N", "SMILES:CN1C(=S)N(c2ccccc2)C(=O)/C1=C\\c1ccc(N(C)CCCO)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTJMEDNUGCFIPN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(-c4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZBJYMUOBKNFOH-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGARAQZJFVUHBN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOMGORIGNMMQAM-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZANZMOQZDIJNI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc([S+]([O-])c4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISHHOPARGMSDZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXNRZULCLWXHNX-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccn4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOOCNVDZEIXUDV-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4)cc3F)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHIZLTVGKAGMLF-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4)cc3Br)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVZPVSNHASAFIQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4)cc3C)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRQMIUJONAZQK-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4)c(Cl)c3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPGWKWOERUIBG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4)c(Br)c3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHVOCANRFWYLQF-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4)c(C)c3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPPBWBBPPKCHV-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4F)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMFVOCFHPXRJDO-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4Cl)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMTNXMPTKTXRBM-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4Br)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHPDPHAXJOKBOY-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccccc4C)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWUFTXXZKTWDC-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4cccc(F)c4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGQICJGUUSAHE-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4cccc(Cl)c4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAXAFXTKOCJFW-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4cccc(C)c4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJJNLXCHULVBLS-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccc(F)cc4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVUOCXIPAMTFSE-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccc(Cl)cc4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKKGRMRTKXYDS-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccc(Br)cc4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQYUYRCPJXXPG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Nc3ccc(Oc4ccc(C)cc4)cc3)ncnc2cc1OCC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFOWCBUJJWGNHA-GOSISDBHSA-N", "SMILES:Fc1ccc2c(CN3CCC(F)(F)[C@H](CCc4ccccc4)C3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIUVRDSBNUEMG-IBGZPJMESA-N", "SMILES:c1ccc(OC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYCGACUZCZLFO-HNNXBMFYSA-N", "SMILES:Fc1ccc(OC[C@@H]2CN(Cc3ccc4[nH]cnc4c3)CCO2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKIOOTWQGBKAJ-KRWDZBQOSA-N", "SMILES:Cn1ncc2cc(CN3CCO[C@H](COc4ccc(F)c(F)c4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZQHMBLLYPEOFM-INIZCTEOSA-N", "SMILES:Cc1csc(OC[C@@H]2CN(Cc3ccc4c(cnn4C)c3)CCO2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMKCHSDBNMEKX-FQEVSTJZSA-N", "SMILES:Cc1cccc(CO[C@H]2CCCN(Cc3ccc4c(cnn4C)c3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQPXVZLXNDSSPM-NRFANRHFSA-N", "SMILES:Cc1ccccc1CO[C@H]1CCCN(Cc2ccc3c(cnn3C)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDDVHPLBIKYRCZ-INIZCTEOSA-N", "SMILES:Cc1csc(OC[C@@H]2CN(Cc3cc4ccc(Cl)cc4[nH]3)CCO2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELVAYSYFPKPOV-UHFFFAOYSA-N", "SMILES:Cc1cccc(COC2CCN(Cc3cn4ccccc4n3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGZNXOHTNGPHN-UHFFFAOYSA-N", "SMILES:c1ccc(COC2CCN(Cc3cn4ccccc4n3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYPLGFSKAOXCFI-INIZCTEOSA-N", "SMILES:Fc1ccc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVOLGCQEWUQCJL-FQEVSTJZSA-N", "SMILES:Cc1ccc(CO[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHPZOSDEOGGRA-IBGZPJMESA-N", "SMILES:COc1ccc(CO[C@H]2CCCN(Cc3ccc(C)cc3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5176299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMZASLBMSZNSOA-FQEVSTJZSA-N", "SMILES:Cc1ccccc1CN1CCC[C@H](OCc2cccc(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHRANYJOBNLHW-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1NC(=O)CN1CCC2(CCCN2Cc2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQOZVSPURYOAI-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1NC(=O)CN1CCC2(CCCN2Cc2ccc(F)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWGQJXXIPOPIL-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1NC(=O)CN1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCKZEYMCOPOOH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)CN2CCC3(CCCN3Cc3ccc(F)c(F)c3)CC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHHJVJOWMXRBS-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)CN2CCC3(CCCN3Cc3ccc(F)c(F)c3)C2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNCDWOGRLAGPA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)CN2CCC3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZEWTMVKHJXAGJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCCC23CCN(Cc2cn4ccccc4n2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKLNFPODGBPGC-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCCC23CCN(Cc2cc4ccc(Cl)cc4[nH]2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUJMJSODMVSHV-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2CCCC3(CCN(Cc4cc5ccc(Cl)cc5[nH]4)C3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIPYPRUXIOSZCG-HNNXBMFYSA-N", "SMILES:Cc1csc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVDOFFRPTYZID-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cnc3cc(C4=CCNCC4)ccn23)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRJSYPGGVKGLV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC=C(c2ccn3c(-c4ccc(NC(=O)c5ccc([N+](=O)[O-])o5)cc4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEFICDBZRUDUCL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cnc3ccccn23)cc1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSZGGZJHVFMFFS-UHFFFAOYSA-N", "SMILES:COc1ccn2c(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKOWCHSGGDDBTK-UHFFFAOYSA-N", "SMILES:COc1ccn2c(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3F)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEQTUDJAXQORLO-UHFFFAOYSA-N", "SMILES:COc1ccn2c(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3C)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUYVHVWZYSDRSP-UHFFFAOYSA-N", "SMILES:COc1ccn2c(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)c(C)c3C(F)(F)F)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQKLMVWHFHOEU-UHFFFAOYSA-N", "SMILES:COc1ccn2c(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)c(C)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRFSVVPXWMUGY-UHFFFAOYSA-N", "SMILES:COc1ccn2c(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)c(C(F)(F)F)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRJACQZHOBVARS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3ccccn23)ccc1NC(=O)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYENIHHAVJPGLP-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1-c1cnc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKAMSLBSGZMJZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHKEIHYXBFQBC-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(Nc3nc(Nc4cc(C5CCC5)[nH]n4)c4ccccc4n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJHERUNMIIHFJ-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3cc(C4CCC4)[nH]n3)nc(Nc3ccc4[nH]ncc4c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSIUHFQOJVPBQ-WKDCXCOVSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cc(C2C=C3N=C(c4ccc(OCCN5CCCCC5)cc4)C=CN3N2)cs1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVNUZZFMGGXPMN-OZBJMMHXSA-N", "SMILES:O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc(C2C=C3N=C(c4ccc(F)cc4)C=CN3N2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEZRAYLQPKCVRW-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGCUCAILCSYREM-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292268", "category": ["biolink:ChemicalEntity"], "name": "3-METHYLADENINE", "xref": ["InChIKey:FSASIHFSFGAIJM-UHFFFAOYSA-N", "SMILES:Cn1cnc(N)c2ncnc1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL276865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZIMXIMBVIFVKY-WQVKNQJISA-N", "SMILES:CCN(/C=C1\\C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAWREDFCHYEUJV-WQVKNQJISA-N", "SMILES:CCCCN/C=C1\\C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUTSZTOGFHCCFW-MMOFEPRHSA-N", "SMILES:COC[C@H]1OC(=O)C2=CCOC3=C2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBKNEAFCZNJAT-STLVXQLOSA-N", "SMILES:COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(OC(C)=O)[C@@]2(C)C[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBDKRDXBUNVRFV-ZJMSKHNPSA-N", "SMILES:COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2C[C@@H](Br)C(OC(C)=O)[C@@]2(C)C[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOLSPDLBYANOAU-ZJMSKHNPSA-N", "SMILES:COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2C[C@@H](O)C(OC(C)=O)[C@@]2(C)C[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMUFSMNOLZZKKY-HUHYNIAQSA-N", "SMILES:COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2C[C@@H](OC(C)=O)C(OC(C)=O)[C@@]2(C)C[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL273832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJORQYAOTYVQS-OGCOKEDGSA-N", "SMILES:COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CC[C@H](O)[C@@]2(C)C[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQMCHGVGABAFR-NNCZWYIQSA-N", "SMILES:COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=CC[C@]2(C)C(=O)CC[C@H]2C1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXVZXRZMWGYXMQ-DJOOALQISA-N", "SMILES:COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL13512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVEOTGJALPLTHO-BUXKBTBVSA-N", "SMILES:COC(=O)c1coc2c(O)c3c(c(C)c12)C=C[C@]1(C)C(=O)CC[C@@H]31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNXKZVIZARMME-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDQBXXXXNYZES-NJUQUFIOSA-N", "SMILES:C[C@@H]1COCCC1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIQXBIDBOWZAJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc([N+](=O)[O-])cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBGIKSUBDVUFJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(C(F)(F)F)nc(Oc3ccc([N+](=O)[O-])cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXIFIORIDAIKZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc([N+](=O)[O-])cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWPPJXJXXLYBB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCOCC3)nc(Oc3ccc([N+](=O)[O-])cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDADISRZDRFFHN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N(C)C)nc(Oc3ccc([N+](=O)[O-])cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSHZKMSMYCWCR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(Nc2cc(Cl)nc(Oc3ccc([N+](=O)[O-])cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYGMPMWHYRSEB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Oc2nc(Cl)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZCHZQWSRFWSCU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Oc2nc(Cl)cc(Nc3cc[nH]n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZQQURENQYUME-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(Cl)nc(Oc3ccc([N+](=O)[O-])cc3)n2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLOKALDRSGLAIJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2nc(Cl)cc(Nc3cc[nH]n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBDDQNVTLQBEG-UHFFFAOYSA-N", "SMILES:Clc1cc(Nc2cc[nH]n2)nc(OCc2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQOWZPKGXUVTPI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(Cl)nc(OCc3ccc([N+](=O)[O-])cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJHWYAYXJCUHMQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3ccc([N+](=O)[O-])cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIUHBOJEMIHQZ-XFWRWKLISA-A", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]7O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]8OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGELDFIERRFNMO-NUPWIAGZSA-D", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]7O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKKFRZLJMEYJD-OLHHIOOASA-A", "SMILES:O=S(=O)([O-])OC[C@H]1O[C@@H](O[C@H]2[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])O[C@@H]2COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQLUPGZDDZPFL-UGABPPSZSA-C", "SMILES:O=S(=O)([O-])OC[C@H]1O[C@@H](O[C@H]2[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])O[C@@H]2COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRGISIMVAZWDHL-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3c(SCCCCCCN4CCN(C5CCN(c6ncc(C(=O)Nc7ccc(OC(F)(F)Cl)cc7)cc6-c6ccn[nH]6)CC5)CC4)cccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALAGEFCDQAROE-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2Cc3c(SCCCCCCN4CCN(C5CCN(c6ncc(C(=O)Nc7ccc(OC(F)(F)Cl)cc7)cc6-c6ccn[nH]6)CC5)CC4)cccc3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLWVOUDQRUEKK-LBPJEAKVSA-N", "SMILES:CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)NCc5ccccc5)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMCWRMZOPWZEI-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHGHRSCYCGJXEZ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NCC(C)C)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFXRBXZLVDCBT-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCC4)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAAXOVJLODMDLH-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCCCC4)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJMIMIAZFWZDJJ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRBLAMRRGKMGL-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC45CCC(CC4)CC5)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUKHDDITRYVZAM-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NCC4CCCCC4)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKOXUOMKGCIJM-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NCC4CCCO4)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXGCYUJGIPPJJ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)Nc4ccccc4)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVVWGWAJNPOOGB-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NCc4ccccc4)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHXJTAFSGCRALW-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NOCc4ccccc4)cc3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTZVFWUVPOMRH-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC45CC6CC(CC(C6)C4)C5)c(F)c3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBRHACDFXTQMQ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC45CC6CC(CC(C6)C4)C5)cc3F)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVVKONHMWIJNC-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC45CC6CC(CC(C6)C4)C5)c(Cl)c3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJJLAZKWNENHQ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC45CC6CC(CC(C6)C4)C5)c(C#N)c3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJIZPJNFCPSGJO-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC45CC6CC(CC(C6)C4)C5)c(C)c3)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBXSLRXJYDVJT-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)ccc1Nc1nn(C)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZBQVGMVGYMVFR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(Oc3ccc(Nc4nn(C)cc4C(=O)NC45CC6CC(CC(C6)C4)C5)cc3F)ccnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMQCMRNBLAFQM-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NC45CC6CC(CC(C6)C4)C5)cc3F)c2cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMSHLVPRXHVLCN-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Nc2ccc(Oc3ccnc4cc(OCCN5CCOCC5)c(C(N)=O)cc34)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVANHUKFPDFGC-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(C(N)=O)cc34)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802214", "category": ["biolink:ChemicalEntity"], "name": "LUFOTRELVIR", "xref": ["InChIKey:FQKALOFOWPDTED-WBAXXEDZSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COP(=O)(O)O)cc12"], "synonym": ["Lufotrelvir", "Lufotrelvir", "Pf-07304814", "PF-07304814", "PF07304814", "Lufotrelvir"], "chembl_prodrug": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5286815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLQLHNHRQGQHQD-IRXDYDNUSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URAZNJORDPZLHD-UFYCRDLUSA-N", "SMILES:O=C[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBERMORUHHQBRF-RDJZCZTQSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C=O)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSFJLSWEUVDHF-ROUUACIJSA-N", "SMILES:CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQJVJROCYJTFE-VXKWHMMOSA-N", "SMILES:CCCCCCCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHAJNZREWTZYQJ-UHFFFAOYSA-N", "SMILES:CC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTPNQLNQBRLQF-UVAXBNHUSA-N", "SMILES:CO[C@H]1C=C[C@@]23c4cc5c(cc4C(O)N(C[C@@H]2O)[C@H]3C1)OCO5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNEPXUIPALKHAU-KLWPSQLOSA-N", "SMILES:C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@@H](O)[C@@]2(Cl)CC=CC(=O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRUAQJXBUYEBPK-DNJDGUCCSA-N", "SMILES:C[C@]12C(=O)CC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@@]32[C@H]5C6=O)C(=O)O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5276737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWGRRGMXRUJIZ-UDFCJKPSSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)Cc2ccc(cc2)OCCSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMOMHLVVLVGMBV-UHFFFAOYSA-N", "SMILES:OC1CC2CC1CN2c1ccnc(NCc2csc(-c3ccccc3)n2)n1"]}
{"name": "Transforming acidic coiled-coil-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5291560"], "id": "UniProtKB:Q9Y6A5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIMQWRZWLQKKBJ-GOSISDBHSA-N", "SMILES:CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@@H]3CCO)nc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3940387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHIUZPIDLZYPRL-MXVIHJGJSA-N", "SMILES:CC(C)c1c2cc(-c3ccnc(N[C@H]4CC[C@H](NC5CCOCC5)CC4)n3)ccc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRHMFVWJYVLGL-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(CCc4ccccc4)cs3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXPWCFRRRKKLCN-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(CCc4ccc5ccccc5c4)cs3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRUJOKCPVUXITN-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(CCc4ccc(-c5ccccc5)cc4)cs3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAKHBJXBNBZYHO-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(CCc4ccc(-c5ccccc5)cc4)cs3)c(OCCN3CCNC3=O)c2)cc1CCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXGIENOXWAUTJI-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)s3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZONHVVLVQYDII-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(CCc4ccccc4)cs3)c(OCCN3CCNC3=O)c2)cc1CCCN.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEZKJGDMKVMIA-UHFFFAOYSA-M", "SMILES:COc1cc(-n2cc(CCCCN)[n+](C)n2)ccc1-c1nc(CCc2ccccc2)cs1.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVKWVHUZFNROQ-UHFFFAOYSA-M", "SMILES:COc1cc(-n2cc(CCCCN)[n+](C)n2)ccc1-c1nc(CCc2ccc(-c3ccccc3)cc2)cs1.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIGMVNLEEQGLLP-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(-c4ccccc4)cs3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IISJOYYXMXFVHK-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(CCC4Cc5ccccc5O4)cs3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBTVVCSNMICWGE-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)s3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDTGYFQXXMTVQM-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(-c4ccc(Oc5ccccc5)cc4)c(-c4ccccc4)s3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTKJUFCVZBHFQ-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(CCc4ccc(-c5ccccc5)cc4)c(-c4ccccc4)s3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIRQZUYGXDGBF-UHFFFAOYSA-N", "SMILES:C[n+]1nn(-c2ccc(-c3nc(CCc4ccc(Oc5ccccc5)cc4)c(-c4ccccc4)s3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJRBFUHPTKWWBE-UHFFFAOYSA-N", "SMILES:CC[n+]1nn(-c2ccc(-c3nc(CCc4ccc(-c5ccccc5)cc4)cs3)c(OCCN3CCNC3=O)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAGHVWWLSLYLFS-UHFFFAOYSA-M", "SMILES:C[n+]1nn(-c2ccc(-c3nc(CCc4ccccc4)cs3)c(OCCC3CCNCC3)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRLIXNPBHOQWLQ-UHFFFAOYSA-M", "SMILES:C[n+]1nn(-c2ccc(-c3nc(CCc4ccccc4)cs3)c(OCC3CCNCC3)c2)cc1CCCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F"]}
{"name": "Trypanothione reductase", "xref": ["CHEMBL.TARGET:CHEMBL5291562"], "id": "UniProtKB:P13110", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5692"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBORAWKKEONTDN-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(OCCOCCNC3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKTLOUYERGLRCM-UHFFFAOYSA-N", "SMILES:Clc1ccc(COc2ccc(OCCOCCNC3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILZBDOTKNLUFA-WLRTZDKTSA-N", "SMILES:NC(=S)N/N=C/c1cn(-c2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGMRZDQBCCTFNZ-UHFFFAOYSA-N", "SMILES:OCC(CO)NCc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBZBAPLQXUVIS-UHFFFAOYSA-N", "SMILES:OCC(CO)NCc1ccc(-c2ccc(Br)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZVQOGLNOPNNCK-UHFFFAOYSA-N", "SMILES:Clc1cc(Br)ccc1-c1ccc(CNCCN2CCOCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYBLVBQPXFBFY-UHFFFAOYSA-N", "SMILES:OCCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYKAMUMYGDTJMY-UHFFFAOYSA-N", "SMILES:OCCNCc1ccc(-c2ccc(Br)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REGGAOJEQONVIJ-UHFFFAOYSA-N", "SMILES:CN(C)CCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLBIJIONZCIOC-UHFFFAOYSA-N", "SMILES:CN(C)CCCNCc1ccc(-c2ccc(Br)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQHHDKZETDKMRK-OMCISZLKSA-N", "SMILES:NC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL327577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYEQJQNRMFKNDG-VIZOYTHASA-N", "SMILES:N/C(S)=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWUSIENPSIPZAF-UHFFFAOYSA-N", "SMILES:N#Cc1nn(-c2cc(Cl)c(-n3ccc4cc(O)ccc43)c(Cl)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZXZRNBHDAZPF-UHFFFAOYSA-N", "SMILES:Cc1c(O)ccc2c1ccn2-c1c(Cl)cc(-n2nc(C#N)c(=O)[nH]c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKDVPCAFAQZPG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccc2c1ccn2-c1c(Cl)cc(-n2nc(C#N)c(=O)[nH]c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXJJSELFZGUOJT-UHFFFAOYSA-N", "SMILES:CCn1c(=O)ccc2c1ccn2-c1c(Cl)cc(-n2nc(C#N)c(=O)[nH]c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTGDXLKIYNYDB-UHFFFAOYSA-N", "SMILES:N#Cc1nn(-c2cc(Cl)c(-n3ccc4c3ccc(=O)n4CC(F)(F)F)c(Cl)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEKKJDQFDVJLTR-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)ccc2c1ccn2-c1c(Cl)cc(-n2nc(C#N)c(=O)[nH]c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCWILAXPRUPYRA-UHFFFAOYSA-N", "SMILES:N#Cc1nn(-c2cc(Cl)c(-n3ccc4c3ccc(=O)n4C3CC3)c(Cl)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSJJORVBKHALX-UHFFFAOYSA-N", "SMILES:N#Cc1nn(-c2cc(Cl)c(-n3ccc4c3ccc(=O)n4C3CCC3)c(Cl)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNYMDCBBWIXDEQ-UHFFFAOYSA-N", "SMILES:N#Cc1nn(-c2cc(Cl)c(-n3ccc4c3ccc(=O)n4C3CCCC3)c(Cl)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJFOIOENWBYDP-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)ccc2c1ccn2-c1c(Cl)cc(NC(=O)c2noc(=O)[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTUTZGDSOQRBK-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)ccc2c1ccn2-c1c(Cl)cc(NC(=O)CC(=O)O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKAWWNPXKMCVBC-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)ccc2c1ccn2-c1c(Cl)cc(-c2n[nH]c(=O)[nH]c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCDKSRVNKDYSW-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)ccc2c1ccn2-c1c(Cl)cc(-c2nn(C)c(=O)[nH]c2=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRIODVKWHUUNA-KGENOOAVSA-N", "SMILES:O=C(O)c1ccc2c(c1)/C(=N\\O)C(C1C(=O)Nc3c(Br)cccc31)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAPXKAPLUYPFO-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CN3CCN(C(C)C)CC3)cn2)nc1-c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIHIINAMUKCPP-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2scnc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWEQKIUQNBLCIY-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2scnc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLOLJPBFVSJASR-UHFFFAOYSA-N", "SMILES:Cl.c1cc(-c2ccc3scnc3c2)nc(Nc2ccc(CN3CCNCC3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXMPQGDLOHXKAK-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRFWRSIOYSBFGN-UHFFFAOYSA-N", "SMILES:Cl.Fc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEWNDBARGCMPNH-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2ccc(Nc3ncc(C)c(-c4ccc5scnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLZMTSNWJVIEZ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)nc1-c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSRHAKKBNYJZOD-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)N3CCNCC3)cn2)nc1-c1ccc2scnc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RINBBIFZBPRYKI-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(C(=O)N3CCNCC3)cn2)nc1-c1ccc2scnc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGRRHQWMAQNGTO-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc5scnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDSYRSVHFDEXHJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc5scnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGGMNJXUOVPIG-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccc(Nc2nccc(-c3ccc4scnc4c3)n2)nc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKTYOQDCSIQOTQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLYSRBNFWCXNB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRWDFXEEIFVJB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(F)c(-c3ccc4scnc4c3)n2)nc1)N1CCN(C(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCRINFSROJMPG-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCWUBLRHAZDKA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKHVRKKJZLTSGJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(F)c(-c3ccc4scnc4c3)n2)nc1)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVNAHXMFSTSGC-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccc(Nc2ncc(F)c(-c3ccc4scnc4c3)n2)nc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJABMGKNVKJZHS-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2cnc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLYKWMUWHYJCR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTXDLNKJZAWKMF-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1cnc(Nc2ncc(F)c(-c3ccc4scnc4c3)n2)nc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMGYLOLYDLXPBJ-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDUNHFSLAJRRT-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZGGEQJORZBKU-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccc(Nc2ncc(F)c(-c3ccc4scnc4c3)n2)cn1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGFWRYUSCXMAY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(Cl)cc3c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVVNAGMBKZTOY-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENDGCQGNWXRMT-GQCTYLIASA-N", "SMILES:C/C=C/C(=O)N1CCCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYIWWQJJCYSMC-VMPITWQZSA-N", "SMILES:CC/C=C/C(=O)N1CCCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYRWKHCBQKSOT-SOFGYWHQSA-N", "SMILES:Cc1ccc2oc(-c3c4c(N)n[nH]c(=O)c4nn3C3CCCN(C(=O)/C=C/CN(C)C)C3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKNLLJOBOEVKQ-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)N1CCCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHZDWURWRHVRKF-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBDIAAQCJCKMP-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WERRUYSGRFLFHZ-UHFFFAOYSA-N", "SMILES:CCC#CC(=O)N1CCCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXQHTOHAWHGEQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3c4c(N)n[nH]c(=O)c4nn3C3CCCN(C(=O)C#CCO)C3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOGVCVYLCPGRT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(C)ccc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYGIRXWAJTRHL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cccc(OC)c3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFQYWQFCKYNGG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(OC)ccc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDPGUDTGFMONJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(OC)cc(OC)c3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIDDGTUJZFSGDF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(Cl)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUUYRVCLKPQFQP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(F)ccc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWJAYVFZJWVMOL-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEUWQAPJQXRVKO-LHHJGKSTSA-N", "SMILES:C/C=C(\\C)C(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUNEVRXZWEPOL-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYOKYWQKUEZLY-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3c4c(N)n[nH]c(=O)c4nn3C3CCN(C(=O)CC#N)CC3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDOXWHHSGDABFY-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPGSTBLYFNDGH-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPNDIAPEMICLHR-UHFFFAOYSA-N", "SMILES:CCC#CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHVMUJXRECISKA-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3c4c(N)n[nH]c(=O)c4nn3C3CCN(C(=O)C#CCO)CC3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNJMXIZSFNEQQF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZPGIHAMJDVQOA-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3c4c(N)n[nH]c(=O)c4nn3C3CCOCC3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGOZHXMELGDPLN-SHTZXODSSA-N", "SMILES:C=CC(=O)N[C@H]1CC[C@H](n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIYXUIYKVMGES-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Cn2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEAWMUNHKYSQEN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDKQKVAFBGMSOR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(OC)cc(OC)c3c2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLFZJKNGJSJDL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(OC)cc3c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSKCLOVTKNMGQQ-UHFFFAOYSA-N", "SMILES:CC(NC(=O)C1CCCC1)C(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 21", "xref": ["CHEMBL.TARGET:CHEMBL2157852"], "id": "UniProtKB:Q9UK80", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAAFRPNNICESHO-UHFFFAOYSA-N", "SMILES:COCC(NC(=O)C1CCCC1)C(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJEVBUJADPHFFP-UHFFFAOYSA-N", "SMILES:COCC(NC(=O)c1ccccc1)C(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOBIVCQADWGXOO-UHFFFAOYSA-N", "SMILES:COCC(NC(=O)C1CCCCC1)C(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZHJMISTQRDJHE-UHFFFAOYSA-N", "SMILES:COCC(NC(=O)C1(C)CCCCC1)C(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZHJMISTQRDJHE-MRXNPFEDSA-N", "SMILES:COC[C@@H](NC(=O)C1(C)CCCCC1)C(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVBUAOJHKNRIQS-QGZVFWFLSA-N", "SMILES:COC[C@@H](NC(=O)C1(C)CCCCC1)C(=O)Nc1nnc(Cc2ccc(C#N)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMYUCETZDJEXLZ-LJQANCHMSA-N", "SMILES:COC[C@@H](NC(=O)C1(C)CCCCC1)C(=O)Nc1nc(C)c(Cc2ccc(C#N)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROYRHZYVBCPBW-LJQANCHMSA-N", "SMILES:COC[C@@H](NC(=O)C1(C)CCCCC1)C(=O)Nc1sc(Cc2ccc(C#N)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPQALASWWQQSD-GOSISDBHSA-N", "SMILES:CCC1(C(=O)N[C@H](COC)C(=O)Nc2nnc(Cc3ccc(C#N)cc3)s2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZCFYGAZZFIEGY-QGZVFWFLSA-N", "SMILES:COC[C@@H](NC(=O)C1(OC)CCCCC1)C(=O)Nc1nnc(Cc2ccc(C#N)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJXGXNYOYHAYPM-MRXNPFEDSA-N", "SMILES:COC[C@@H](NC(=O)C1(C(F)F)CCCCC1)C(=O)Nc1nnc(Cc2ccc(C#N)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQLTTWQTDZHDLN-MRXNPFEDSA-N", "SMILES:COC[C@@H](NC(=O)C1(C(F)(F)F)CCCCC1)C(=O)Nc1nnc(Cc2ccc(C#N)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLIKCSKJRFOTMN-OAHLLOKOSA-N", "SMILES:N#Cc1ccc(Cc2nnc(NC(=O)[C@@H](CO)NC(=O)C3(C(F)(F)F)CCCCC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROCEINYIZEWEB-KRWDZBQOSA-N", "SMILES:CC(C)(O)[C@@H](NC(=O)C1(C(F)(F)F)CCCCC1)C(=O)Nc1nnc(Cc2ccc(C#N)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFGMCCLKFCHPBK-HXUWFJFHSA-N", "SMILES:N#Cc1ccc(Cc2nnc(NC(=O)[C@H](NC(=O)C3(C(F)(F)F)CCCCC3)C3CCCC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRBPWHQMGKMRT-GOSISDBHSA-N", "SMILES:CC(C)C[C@@H](NC(=O)C1(C(F)(F)F)CCCCC1)C(=O)Nc1nnc(Cc2ccc(C#N)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRBPWHQMGKMRT-SFHVURJKSA-N", "SMILES:CC(C)C[C@H](NC(=O)C1(C(F)(F)F)CCCCC1)C(=O)Nc1nnc(Cc2ccc(C#N)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXYNOYOWGNZHF-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)C1CCCC1)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZLFYUNOXBTBKP-UHFFFAOYSA-N", "SMILES:CC(C)C(NC(=O)C1CCCC1)C(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 10", "xref": ["CHEMBL.TARGET:CHEMBL3407323"], "id": "UniProtKB:Q14694", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 22", "xref": ["CHEMBL.TARGET:CHEMBL5291597"], "id": "UniProtKB:Q9UPT9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSNPCIXSRDFFK-FQDXRFNUSA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEYDOOGUOQSZAS-UORAQLIKSA-M", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H]1OC(c2ccccc2)OC[C@H]1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFIVRXUWHLZZKP-UWLLEWQTSA-N", "SMILES:Cl.O=[N+]([O-])c1ccccc1C1OC[C@@H](O)[C@@H]([C@H](O)C[S@+]2C[C@@H](O)[C@H](O)[C@H]2CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQSJXNADOYKHDV-UWLLEWQTSA-N", "SMILES:Cl.O=[N+]([O-])c1cccc(C2OC[C@@H](O)[C@@H]([C@H](O)C[S@+]3C[C@@H](O)[C@H](O)[C@H]3CO)O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHZQVWXEWULQX-UWLLEWQTSA-N", "SMILES:Cl.O=[N+]([O-])c1ccc(C2OC[C@@H](O)[C@@H]([C@H](O)C[S@+]3C[C@@H](O)[C@H](O)[C@H]3CO)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLSDNUJQELGGOA-NJJBDQDQSA-M", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H]1OC(c2ccccc2C(F)(F)F)OC[C@H]1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTCMORWIKSYCF-NJJBDQDQSA-M", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H]1OC(c2cccc(C(F)(F)F)c2)OC[C@H]1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJKDVQRLKYDKS-NJJBDQDQSA-M", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H]1OC(c2ccc(C(F)(F)F)cc2)OC[C@H]1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTSCQHHSMLHVHU-IZZWIDMSSA-M", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H]1OC(c2ccccc2Cl)OC[C@H]1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLMPEMQHRPKWLO-IZZWIDMSSA-M", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H]1OC(c2cccc(Cl)c2)OC[C@H]1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUNXIUKLWDUFV-IZZWIDMSSA-M", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H]1OC(c2ccc(Cl)cc2)OC[C@H]1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQYDIEFLYLYTNA-IZZWIDMSSA-M", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H]1OC(c2ccccc2F)OC[C@H]1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTFYJDQJCIPME-IZZWIDMSSA-M", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H]1OC(c2cccc(F)c2)OC[C@H]1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SODDBGJWBLCXNJ-IZZWIDMSSA-M", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H]1OC(c2ccc(F)cc2)OC[C@H]1O.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMZLMNWBHZXGD-PEILEPMMSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5275395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIFJHYMRQNISLI-RHSVYGJISA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(OC(C)=O)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGDNMWULGMQSN-UZMKHGFFSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(C#N)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVMVJYYVASLEFZ-OQNWPTMCSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(-c6ccccc6)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWVRZRNMOZGFV-LMMCDVDASA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(-c6ccc(C)cc6)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZSHNCJWUMZYBC-PHDPSYCESA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(-c6ccc(OC)cc6)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMWGVFSZGGVJB-SQAWZYKISA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(-c6ccc(C#N)cc6)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDFKXYLGKOZNCO-UCXPPBRFSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(-c6ccc(F)cc6)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHFZBMASBYXCSQ-VXLBDLNNSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(-c6ccoc6)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDIDQLGBUFRRPF-QLWRWLBVSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(Br)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJUHYGUZZNUEL-QLWRWLBVSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(I)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSCUOIRSHSOLW-MZMPVIMOSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(O)c(-c6ccccc6)cc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMTUDONRYWZEK-NQMRQTOOSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(O)c(-c6ccc(C)cc6)cc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBPSEMCRKHIIBN-ZSJZPCTESA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(O)c(-c6ccc(OC)cc6)cc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATOGXHPSCJRNKY-STGGYIBUSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(O)c(-c6ccc(C#N)cc6)cc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYJPDXZMBMHOL-FEAQUTKZSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(O)c(-c6ccc(F)cc6)cc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEIYBWSDKMJRU-MVIQYXFOSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(O)c(-c6ccoc6)cc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOJFDGIBHFBREP-DJQVXTNSSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@]35OC[C@@]4(CO)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLHUHYFKFFGUFE-OQTQPSEISA-N", "SMILES:C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5276128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHRZQMZQPJHIH-ZLUQDIKLSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(O)c(I)cc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPLSMNZBLGGHQ-NXZAIFCTSA-N", "SMILES:C/C=C1\\CN2CC[C@@]34c5ccccc5N(CC)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHIFDZZMWLNKL-WZOWOQAZSA-N", "SMILES:C/C=C1\\CN2CC[C@@]34c5ccccc5N(CCc5ccccc5)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNOYQGNCIPRAH-OIAMUCEYSA-N", "SMILES:C/C=C1\\CN2CC[C@@]34c5ccccc5N(Cc5ccccc5)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPIPYHXXEKEQBW-ZLUQDIKLSA-N", "SMILES:C/C=C1/CN2CC[C@@]34c5cc(O)c(Br)cc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVMWPVYEBVFZHM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHXVCZMDTOIYOB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBRYHACQBMPLO-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2ccccc2C(=O)O)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGXDZGGZCODRTB-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccccc2C(=O)O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWGOGLRXDKKHQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccccc2C(=O)O)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWDYDMYZRGIULB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWUKMPTTTZOSR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQVWKVZAXXQILP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1ccc(Br)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3088246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGYFPWQYCJJDR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cc(Br)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPKOMJMDOHRNH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cc(C(F)(F)F)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYZKMDQOMDNPB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ccccc2C(=O)O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJENLXLRGTWFSX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(F)(F)F)cc1Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADYZEYUMYXAEPW-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Nc2ccccc2C(=O)O)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUZLUKYGDAKEB-UHFFFAOYSA-N", "SMILES:CC#Cc1cc(Nc2ccccc2C(=O)O)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSOMZFQHZKDLEI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVIZZLLYSHIRR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQJGPRZYNKNSW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1nccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBNJLMQTYKVEG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2ccccc2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABSLLUFGSVEFU-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Nc2ccccc2-c2nnn[nH]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJAMBRVRVBMTDT-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccnc(Nc2ccccc2-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMMKPOYAVUXAHK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nccc(Nc2ccccc2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRFFLBFMYIZEMA-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccnc(Nc2ccccc2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKGCSWBGJTTJM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)nc(Nc2ccccc2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPMPKASHGHNCGO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(F)(F)F)nc(Nc2ccccc2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJAGWEUXLWSNEX-UHFFFAOYSA-N", "SMILES:Oc1cc(C(F)(F)F)nc(Nc2ccccc2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEARGPLKRBMRW-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Cl)nc(Nc2ccccc2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLLIUSRWOUIOX-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(I)nc(Nc2ccccc2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMBLOXIBSMNOQD-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C(F)(F)F)nc(Nc2ccccc2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOGAFGFOVSLLDS-UHFFFAOYSA-N", "SMILES:C#Cc1cc(C(F)(F)F)nc(Nc2ccccc2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BELDIZGSVFMOEH-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Nc2ccccc2C(=O)O)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLODVPQNWORVJM-UHFFFAOYSA-N", "SMILES:CN(c1cccc(C(F)(F)F)c1)c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEOWNOUALXQNA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cc(C#CC2CCCC2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBIPTBWKXDEDEJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1ccnc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATAYMPNRLKDFX-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Nc2ccccc2-c2nnn[nH]2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSUKAVVJWNXMP-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1697766", "category": ["biolink:ChemicalEntity"], "name": "PERAZINE", "xref": ["InChIKey:WEYVCQFUGFRXOM-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1"], "synonym": ["Perazine", "Perazine", "Perazine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIOMJPLTUCADCP-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHOKNSSXQQFGEA-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(CCCN3c4ccccc4Sc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBYFEUHYQFVNX-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCCN1CCN(Cc2ccc3c(c2)OCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKTFUOCNNWAYFW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPAMPUXAMWDMZ-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UALCBDFAIRGZSF-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTHSFKEXIOSOS-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCCN1CCSCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYOHALDRGPBWRS-UHFFFAOYSA-N", "SMILES:CN(C)CCNCCCN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVZLYIOEFFYTRB-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCCNCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUBGJTATFKEPCT-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCCNCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVCGBSXQPSQAFS-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCCNCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZAZBMWVPAVPH-UHFFFAOYSA-N", "SMILES:c1cnc(SCCCN2c3ccccc3Sc3ccccc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBKZYHFRMEFJP-UHFFFAOYSA-N", "SMILES:COC(=O)CSCCCN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUFBFTRJHCIXLV-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBYDYQPUADTROW-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJQXIWLVJMDRGV-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNPLCDXZAQWDT-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXSRCCZGVUUIAA-UHFFFAOYSA-N", "SMILES:CN1CCN(CCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMCGLCVGCYOFBT-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJRJBFRZXSLLBJ-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(CCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDYDLJWPJUONLS-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(CCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGINIWPUZQYMJB-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCN1CCN(C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULYKLWYODYKRCO-UHFFFAOYSA-N", "SMILES:c1cnc(N2CCN(CCN3c4ccccc4Sc4ccccc43)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLRZNRCLASIAA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMHRVORIHADDLJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(CCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBAIQDCYHIOQC-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOJLMMFIIQXFI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(CCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBSXFADONYFTI-UHFFFAOYSA-N", "SMILES:CC1CCN(CCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCQBYDUUSURJI-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCN1CCC(N2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTOVULEJIFYJG-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCN1CCSCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106299", "category": ["biolink:ChemicalEntity"], "name": "FENETHAZINE", "xref": ["InChIKey:PFAXACNYGZVKMX-UHFFFAOYSA-N", "SMILES:CN(C)CCN1c2ccccc2Sc2ccccc21"], "synonym": ["Fenethazine", "Fenetazina"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGPJBVPWRJMOOG-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNCCN2c3ccccc3Sc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFYVPMBVVWJTML-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCNCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDILZYAIECKMLB-UHFFFAOYSA-N", "SMILES:c1cnc(SCCN2c3ccccc3Sc3ccccc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLCAJUCTQRQGL-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Sc1ccccc1N2CCNN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OECARLWSJJMVFX-UHFFFAOYSA-N", "SMILES:CC1CN(CCN2c3ccccc3Sc3ccccc32)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTQVVCMAQHRTM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)N(CCN1CCOCC1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZLWPWBCHYPRT-UHFFFAOYSA-N", "SMILES:CSc1ccc2c(c1)N(CCN1CCOCC1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4651180", "category": ["biolink:ChemicalEntity"], "name": "PULRODEMSTAT", "xref": ["InChIKey:NBAIXBAUHIQQGF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(N)CC3)n(C)c2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIATSFXNVOVFE-OAHLLOKOSA-N", "SMILES:CC(C)Oc1ccc(F)c(-c2cnc(N)c(C(=O)Nc3cnccc3N3CCC[C@@H](C(=O)O)C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJPNRXFBYZVRIB-DHDCSXOGSA-N", "SMILES:O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\\c1ccc2nccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKRHOHUJMCOWDZ-UHFFFAOYSA-N", "SMILES:CCNc1cc(Nc2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMUDZNRXZXDYEQ-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOMBZVXKSRQDOJ-NKVSQWTQSA-N", "SMILES:O=C1Nc2cc(S(=O)(=O)Cc3c(Cl)cccc3Cl)ccc2S/C1=C\\c1ccc(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSZJMUFYOAHFY-SDQBBNPISA-N", "SMILES:CCN1/C(=C/C(C)=O)Sc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQHTYMOOIFVIJV-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc3[nH]ncc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKIAHCJPMJSHSQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c3ccnc(Cl)c3n(CC#N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRDYMCBGXJNLR-UHFFFAOYSA-N", "SMILES:COC1=CC2C(=O)NC3=Cc4ccc(OC)cc4C(=C1OC)C32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEKFRDOAYXXRU-DHDCSXOGSA-N", "SMILES:O=C1NC(NC2CCCCCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVBCYZPXGZFGS-FMQZQXMHSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGPJOAYIAOEJAM-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCOUFPTCZUTEE-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3cnc(NC(=O)C4CCN(S(C)(=O)=O)CC4)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBGPFWACZLCJFH-ZDUSSCGKSA-N", "SMILES:COc1ccc2nc3c(CO)cc(OC)cc3c(SC[C@H]3CCNC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVGSDYVNUNREA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)c1csc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLUXIHDOQQZMIZ-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(-c3cncc(NC(C)=O)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOLMNCAPVYTEHC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Cc3cn4cc(-c5ccncc5)ccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKLPRHHLSQBUIC-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(OC)c(-c2cc3c(-c4ccc(C(=O)O)c(C(C)C)c4)ccnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFAOJPLNRNZXIN-LXARNSNTSA-N", "SMILES:Cc1cc(C(=O)NC2Nc3cccc(C)c3N2[C@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3185434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVZNWYXIOADGSW-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562562", "category": ["biolink:ChemicalEntity"], "name": "SCORZODIHYDROSTILBENE A", "xref": ["InChIKey:YRCZOJOYJCLBDV-DODNOZFWSA-N", "SMILES:COc1cc(CCc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(C)=O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRMYIYEEWALOZ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(N4CCOCC4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWNQZZTXPWICRQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Oc2ccc(CCn3c(NC(=O)c4ccc(C(F)(F)F)cc4)nc4cc(C(=O)O)ccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSBTQSILAFLLE-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVRYCYPSDCNEH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1C1=CCN(C)CCC1)N=C(N)C21CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWORSODZTADOQX-LJQANCHMSA-N", "SMILES:Cc1c(C(=O)N[C@H](CCC2CC2)C(=O)Nc2ccc(C#N)cc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDGOJSCOXFEFN-SFHVURJKSA-N", "SMILES:Cc1c(C(=O)N[C@@H](CCC2CC2)C(=O)Nc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANBWNSTKHJLJI-UHFFFAOYSA-N", "SMILES:CSCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANBWNSTKHJLJI-INIZCTEOSA-N", "SMILES:CSCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOQXCCARLKGMB-KRWDZBQOSA-N", "SMILES:Cc1c(C(=O)N[C@@H](CCN(C)C)c2nc3ccccc3[nH]2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLILCMJFXVXZFP-KRWDZBQOSA-N", "SMILES:CCCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLILCMJFXVXZFP-QGZVFWFLSA-N", "SMILES:CCCC[C@@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSQWMJVEOJPJL-KRWDZBQOSA-N", "SMILES:CCCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSQWMJVEOJPJL-QGZVFWFLSA-N", "SMILES:CCCC[C@@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGAKQPXRGVCMAP-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CCC2)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXNDWHATSHPKB-SFHVURJKSA-N", "SMILES:CCCC[C@H](NC(=O)c1[nH]c2c(c1CC)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRDFGUVOMSTDOL-SFHVURJKSA-N", "SMILES:CCCC[C@H](NC(=O)c1[nH]c2c(c1C(C)C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXESVTUUJUKRLU-IBGZPJMESA-N", "SMILES:CCCC[C@H](NC(=O)c1[nH]c2c(c1CCC)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOJDKLYHBYTXMG-FQEVSTJZSA-N", "SMILES:CCCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC1(CCCCC1)C2)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNZEASUZZIOPA-IBGZPJMESA-N", "SMILES:CCCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC1(CCOCC1)C2)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIRLFZWZKRAWKT-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZMITNYALMSHX-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQAIWWCAXNWMS-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKAAZZBNDWISD-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYMTKNGWGUUTC-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVUOMQVEMAHDK-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHPFTNQBEVOOBJ-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPHGOLFAQUHGF-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYIIIILMRTABV-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFEBNUREVIQKQY-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGYRUBDPKDIUJN-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYMJROOZNPHTSE-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWHTVOSIXOKJC-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFVCYCNQAKSCO-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYZKZWCXPDPJY-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHKWDHWEVOFKRW-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHEPRSBUMRIGCF-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCDXVMPWHAJNL-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)C(CCCC)NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYWRKWXHHHDXDV-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUGVSVBHQUKGOG-UHFFFAOYSA-N", "SMILES:CCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGMMEQLLBIDDX-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC(CCCN)C(=O)Nc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOZUEVLQTHCZMK-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC(CCCCN)C(=O)Nc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XALBLHWQWYWHDO-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC(COC2CC2)C(=O)Nc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITEWYIFEUIXPOQ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC(CCC2(C)CC2)C(=O)Nc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGIIBSOCSESSL-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC(CCC2CCC2)C(=O)Nc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRALDFBMJGLBG-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC(CCC(C)C)C(=O)Nc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBCNJJBRGWBQEU-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC(CC2CC2)C(=O)Nc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCQQXUKVVUOIHI-GOSISDBHSA-N", "SMILES:Cc1ccc(NC(=O)[C@@H](CCC2CC2)NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWORSODZTADOQX-IBGZPJMESA-N", "SMILES:Cc1c(C(=O)N[C@@H](CCC2CC2)C(=O)Nc2ccc(C#N)cc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOZHHZBEFUPBN-FQEVSTJZSA-N", "SMILES:CCc1c(C(=O)N[C@@H](CCC2CC2)C(=O)Nc2ccc(C#N)cc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPQUOIZBXBAFR-FQEVSTJZSA-N", "SMILES:CC(C)c1c(C(=O)N[C@@H](CCC2CC2)C(=O)Nc2ccc(C#N)cc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDGOJSCOXFEFN-GOSISDBHSA-N", "SMILES:Cc1c(C(=O)N[C@H](CCC2CC2)C(=O)Nc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWORSODZTADOQX-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC(CCC2CC2)C(=O)Nc2ccc(C#N)cc2)[nH]c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRUTRWUTNIKQI-LLVKDONJSA-N", "SMILES:CCc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPQYPCEXRVEFE-LLVKDONJSA-N", "SMILES:CCc1nc(C)nn1CC(=O)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIXMEAIQGTQEO-SNVBAGLBSA-N", "SMILES:Cc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAVYUWKKUQUUJD-SNVBAGLBSA-N", "SMILES:Cc1ncnn1CC(=O)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYNZSRRNMOCSHJ-LLVKDONJSA-N", "SMILES:CCc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEUYNVUMDKOUFP-LLVKDONJSA-N", "SMILES:CCc1ncnn1CC(=O)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXBCXKURLUXELH-LLVKDONJSA-N", "SMILES:CCc1nncn1CC(=O)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDMYRPSMBTQKR-GFCCVEGCSA-N", "SMILES:CC(C)c1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQQXFVYIYQRDG-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)CCN1C(=O)Cn1cnc(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNOGIWVGBFGEH-SECBINFHSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)CCN1C(=O)Cn1cnc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVGKVIQUSMBPM-SNVBAGLBSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)CCN1C(=O)Cn1cnc(C#N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIKIRAILZCSRB-SECBINFHSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)CCN1C(=O)Cn1cnc(C(N)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZYJVMGDLEHFH-LLVKDONJSA-N", "SMILES:COCc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMVRQAOGNZDOJW-SNVBAGLBSA-N", "SMILES:C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)CCN1C(=O)Cn1cnc(CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIDCYOUTPBSEL-NFJWQWPMSA-N", "SMILES:CC(O)c1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXODWEUHUBMNAU-GFCCVEGCSA-N", "SMILES:Cc1ccn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWIMDHUANZMQA-LBPRGKRZSA-N", "SMILES:Cc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTORLCXAYWNJL-LBPRGKRZSA-N", "SMILES:CCc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHWGZPATDOVSCG-ZDUSSCGKSA-N", "SMILES:CC(C)c1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFKTUHZZXUBLN-ZDUSSCGKSA-N", "SMILES:O=C(Cn1cnc(C2CC2)n1)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)C[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQMDOGXIJRPDK-ZDUSSCGKSA-N", "SMILES:Cc1ccn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYNOFJPXPRZEFF-AWEZNQCLSA-N", "SMILES:CCc1ccn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDZFVXKCJKOSRC-CYBMUJFWSA-N", "SMILES:Cc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2CCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHMARFYRUASMT-CYBMUJFWSA-N", "SMILES:CCc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2CCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZUDDFKDDQSCZ-CQSZACIVSA-N", "SMILES:CC(C)c1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2CCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCQXHPGCLHGFID-CQSZACIVSA-N", "SMILES:O=C(Cn1cnc(C2CC2)n1)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)C[C@H]1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFKMMZGMLEXET-CQSZACIVSA-N", "SMILES:Cc1ccn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2CCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHFCHSREMRJMI-OAHLLOKOSA-N", "SMILES:CCc1ccn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@H]2CCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWIMDHUANZMQA-GFCCVEGCSA-N", "SMILES:Cc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTORLCXAYWNJL-GFCCVEGCSA-N", "SMILES:CCc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHWGZPATDOVSCG-CYBMUJFWSA-N", "SMILES:CC(C)c1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQMDOGXIJRPDK-CYBMUJFWSA-N", "SMILES:Cc1ccn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@@H]2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDZFVXKCJKOSRC-ZDUSSCGKSA-N", "SMILES:Cc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@@H]2CCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHMARFYRUASMT-ZDUSSCGKSA-N", "SMILES:CCc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@@H]2CCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZUDDFKDDQSCZ-AWEZNQCLSA-N", "SMILES:CC(C)c1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@@H]2CCO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFKMMZGMLEXET-AWEZNQCLSA-N", "SMILES:Cc1ccn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@@H]2CCO)n1"]}
{"name": "C-X-C chemokine receptor type 3", "xref": ["CHEMBL.TARGET:CHEMBL1075172"], "id": "UniProtKB:Q9JII9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "C-X-C chemokine receptor type 3", "xref": ["CHEMBL.TARGET:CHEMBL1075194"], "id": "UniProtKB:Q5KSK8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336961", "category": ["biolink:ChemicalEntity"], "name": "AZAKENPAULLONE", "xref": ["InChIKey:NTSBZVCEIVPKBJ-UHFFFAOYSA-N", "SMILES:O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJZVOUZZFXQBK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(Cc1ccc(OC)c(OCc3ccccc3)c1)N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKVBJQVIWIMMY-AHHHCUNGSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIUMLDLNPGCAPX-GGCSJQPYSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMKOXMMRLSTHCA-DGCMDUOTSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHGVELLLJOFHL-AHHHCUNGSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(C(=O)COCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYLKDBXWAJZIS-AHHHCUNGSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(C(=O)CCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHUDZPANBVHFU-AHHHCUNGSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(C(=O)CCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVRBXIQPJLEWPT-ZBLPVDGFSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNGAMFFBFKOHI-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C)nc(NC(C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDGMDVYMNWICG-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(C)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUIAUMNSYRTOL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODKQWIWLUEOCI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)c(Cl)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWYWHQKPHALPKU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)c(O)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGBDLAMFDOZLBT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEFUQOMXBZIABJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(Oc5ccccc5)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLLXVDVLNOYACV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(C)c(C)c(C)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXOADFXFUMUSSE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(Cl)c(Cl)c(Cl)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKQCOANBPFCHG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(Cl)c(Br)c(Cl)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMCYWNHBOFVQPF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(Cl)c(Br)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSIPAJQWZLGAF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(Cl)c(Br)c(OCC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRXKFAPDNBKKAP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(Br)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOQZZMMAJFGPIS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(OC)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPNJXKITYKKCV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(Cl)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDGMDVYMNWICG-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCWQLSBINGIBS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(CC)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOSDPVVDDOWFT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(CCC)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMGYYWEPWXCJB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C(C)C)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDXHXCRQAOJQR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5CC5)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDFZOQTOIZLHL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5(C)CC5)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZZTNVBOLILQA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5CCCC5)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRDIEPDENZRYJK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5ccoc5c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLVRUHMODBSGJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5ccsc5c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDWLIFUKOJCBAL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5c(C)csc5c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHJOVKPLSQINCA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5c(c4)OCC5(C)C)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRXKFAPDNBKKAP-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(Br)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRXKFAPDNBKKAP-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCC([C@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(Br)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDXHXCRQAOJQR-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5CC5)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDXHXCRQAOJQR-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC([C@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5CC5)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMDZLBGZBQNJE-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C)c(OC)c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIZIRVZVXALHM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3cc(OC)c(C)c(OC)c3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCEZXFYYHDEYFJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3cc(OC)c(C4CC4)c(OC)c3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJZXXTJGPNFBSX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5ccn(C)c5c4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRGVGYQMJVEIGV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5c(c4)OCCC5)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVWVKADCIQNYMY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5c(c4)OC(C)(C)C5)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAUUHMYFPHMCT-QHCPKHFHSA-N", "SMILES:CC#CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVTANUBEUFAQCI-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(c1)C(=O)N(Oc1cccc3c1CCCC3CCCN1CCN(C3CCCCC3)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTSYUWSEYYHQLC-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCCc2cccc3cc(OCCCCCCN4C(=O)c5ccc(N(C)C)cc5C4=O)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVNMCIAEZVRGL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCN1CCc3c(OCCCCCCN4C(=O)c5ccc(N(C)C)cc5C4=O)cccc3C1=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFAICZMVPYUPBT-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCS(=O)(=O)c1cccc2c(N(C)C)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRCOVCQYPHDKH-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRZASBFWOSAHCR-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(c1)C(=O)N(CCCn1cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc31)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWUMMCMIQCFPGU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(c1)C(=O)N(CCCCCCn1cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc31)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSSSOWOJYECQR-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCn1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYGSKQVDDNNOJX-UHFFFAOYSA-N", "SMILES:C[N+]1=C(/C=C/C=C/C=C2\\N(CCCCCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc45)c4ccccc43)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTMFMIRJHBYDG-UHFFFAOYSA-N", "SMILES:C[N+]1=C(/C=C/C=C/C=C/C=C2\\N(CCCCCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc45)c4ccccc43)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNRCGCRRNOTJIA-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c(c1)C(=O)N(c1ccc3ccn(CCCCN4CCC5(CC4)OCc4ccccc45)c3c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAMCSSMXRPDPSN-UHFFFAOYSA-N", "SMILES:C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)Nc3ccc4ccn(CCCCN5CCC6(CC5)OCc5ccccc56)c4c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKOGBPJCJGXIG-UHFFFAOYSA-N", "SMILES:C[N+]1=C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)Nc3ccc4ccn(CCCCN5CCC6(CC5)OCc5ccccc56)c4c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTBESPLAHRSLM-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)COC21CCN(CCCCn2ccc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3601951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCKYSTKYIVULEK-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc3occ(-c4ccc([S+](C)[O-])cc4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIBIGCMAZZHIQ-UHFFFAOYSA-N", "SMILES:CC(C)OCCCC(=O)c1n[nH]cc1NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXAODWZKEDXMRG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1ccnn2c(NCC3CC3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAIFVBSOFXHAPE-UHFFFAOYSA-N", "SMILES:Cc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKVBLFAUDIBMEH-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXFHOMCAQUWAHI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnn2c(NCC3CC3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVZPHINNUZGJAZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCOCC1)c1ccnn2c(NCC3CC3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUQTSPOFKEROK-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccncc2NC(=O)c2ccnn3c(NCC4CC4)cnc23)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVVPUEYLAZZLFF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2c(NCC3CC3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLVKFBRQINQCN-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccncc2NC(=O)c2ccnn3cc(C4CC4)nc23)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYDXUBHPYGQXBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2cc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGLALPDHBCDQS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnn2cc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMXBENJAVFIELJ-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccncc2NC(=O)c2ccnn3ccnc23)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQZQCERNFAXKFQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNIRHKZCFQNAGM-UHFFFAOYSA-N", "SMILES:Cc1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSXIRUIKNXNLAP-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBGZDIMVHUOFK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCC(F)(F)F)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHZZLYIYWJJLRB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFWJLOCVRHXSF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDJBBZKDSVNTH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHFQRLZWDHJYKZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCCCC1)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHAJBKJRGWQUEK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZAWBYUYDLDFQY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOOCCREMZWFAR-INIZCTEOSA-N", "SMILES:C[C@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOOCCREMZWFAR-MRXNPFEDSA-N", "SMILES:C[C@@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENVSADYTLLXLP-INIZCTEOSA-N", "SMILES:C[C@H]1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5316226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENVSADYTLLXLP-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPTOLQPXVZHQQD-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCOC(C)C3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEHEGICBBJKLI-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccc(C(F)(F)F)cc4)nc23)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICRXLQEOXMWHZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(-c3ccc(C(F)(F)F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDWOHNRBITTOF-UHFFFAOYSA-N", "SMILES:COc1cncc(NC(=O)c2ccnn3cc(-c4ccccc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVWZHDGRFGABKP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc(Cl)cc1N1CCC(F)(F)CC1)c1ccnn2cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBPNDCTEVYKIQ-YUJAOKFCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCOLOBSHJSNXIB-WMPANDRZSA-N", "SMILES:CCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFZGRZMMFAWIOK-ZQYLTBJOSA-N", "SMILES:CCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKWFYIKFNENDS-LQFQNGICSA-N", "SMILES:CCOCOc1c(OC(C)=O)cc(C(=O)O[C@@H]2Cc3c(OC(C)=O)cc(OC(C)=O)cc3O[C@@H]2c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVMVJJGEAFVES-FZNHDDJXSA-N", "SMILES:COCCOCOc1c(OC(C)=O)cc(C(=O)O[C@@H]2Cc3c(OC(C)=O)cc(OC(C)=O)cc3O[C@@H]2c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNLZSZCQWICKAU-FZNHDDJXSA-N", "SMILES:CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(=O)c1cc(OC(C)=O)c(OCOC(=O)C(C)(C)C)c(OC(C)=O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTLBMHCNGLLNV-FZNHDDJXSA-N", "SMILES:CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(=O)c1cc(OC(C)=O)c(OCOC(=O)OC(C)C)c(OC(C)=O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOAHVXFBZTELC-DMMKVTOSSA-N", "SMILES:CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(=O)c1cc(OC(C)=O)c(OC(C)OC(=O)OC(C)C)c(OC(C)=O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COEWGORLQANZDP-XEXNVXCWSA-N", "SMILES:CCOC(=O)OC(C)Oc1c(OC(C)=O)cc(C(=O)O[C@@H]2Cc3c(OC(C)=O)cc(OC(C)=O)cc3O[C@@H]2c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTDYJYGKYQRGIM-FZNHDDJXSA-N", "SMILES:CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(=O)c1cc(OC(C)=O)c(OCOC(=O)OC(C)(C)C)c(OC(C)=O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWUZXTFPYHTLNV-DYLFEXJZSA-N", "SMILES:COC(=O)[C@H](C)NC(=O)COc1c(OC(C)=O)cc(C(=O)O[C@@H]2Cc3c(OC(C)=O)cc(OC(C)=O)cc3O[C@@H]2c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYJEWIDKSJWKB-MSHCONSHSA-N", "SMILES:COC(=O)CC[C@H](NC(=O)COc1c(OC(C)=O)cc(C(=O)O[C@@H]2Cc3c(OC(C)=O)cc(OC(C)=O)cc3O[C@@H]2c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFWAHOFTHRNZPO-LHNWHIAQSA-N", "SMILES:CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(=O)c1cc(OC(C)=O)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)c(OC(C)=O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMZSTABGYDVZJQ-XRSDMRJBSA-N", "SMILES:CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(=O)c1cc(OC(C)=O)c(OCc3ccccc3)c(OC(C)=O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVFODDIUKXPKL-KKLWWLSJSA-N", "SMILES:COc1c(OC(C)=O)cc(C(=O)O[C@@H]2Cc3c(OC(C)=O)cc(OC(C)=O)cc3O[C@@H]2c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSDOSVKLCFUPTK-LQFQNGICSA-N", "SMILES:C=CCOc1c(OC(C)=O)cc(C(=O)O[C@@H]2Cc3c(OC(C)=O)cc(OC(C)=O)cc3O[C@@H]2c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O"]}
{"name": "tRNA (guanine-N(1)-)-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL5291575"], "id": "UniProtKB:P0A873", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRLVAQRFQEQPF-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2nc(N)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDPYGRUIEXRXDO-UHFFFAOYSA-N", "SMILES:OCc1cc(-c2cccs2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL332444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKYZXDTTPVVAC-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1435541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQMYQEAXTITUAE-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTKJVDABQHUEPR-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NC2CCCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFVSXVHRDHYPEG-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ccc(C(N)=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLARFNBDECTDMW-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NCc2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXURPGONLMDDHC-UHFFFAOYSA-N", "SMILES:NCc1cccc(CNc2ccc(C(N)=O)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGLJESHQNHTBF-UHFFFAOYSA-N", "SMILES:NCc1ccc(CNc2ccc(C(N)=O)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNTHNCJDQUJFLH-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NCc2cccc(N3CCNCC3)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLUNHPSPMZRKOH-JTQLQIEISA-N", "SMILES:C[C@H](Nc1ccc(C(N)=O)cn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLUNHPSPMZRKOH-SNVBAGLBSA-N", "SMILES:C[C@@H](Nc1ccc(C(N)=O)cn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSBQOSMHPPSIB-UHFFFAOYSA-N", "SMILES:CC(C)(Nc1ccc(C(N)=O)cn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGEALBNRNBBBMR-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NC2(c3ccccc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWAKAIXHRUUFTN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(NC2(c3cccc(N4CCNCC4)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNKQYMDQJGTEQ-UHFFFAOYSA-N", "SMILES:CC(C)(CNc1ccc(C(N)=O)cn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKZSLBARGVRKK-UHFFFAOYSA-N", "SMILES:CC(C)(CNc1ccc(C(N)=O)cn1)c1cccc(CN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMCWXOFYJNAJIR-UHFFFAOYSA-N", "SMILES:CC(C)(CNc1ccc(C(N)=O)cn1)c1cccc(N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIMPWUACHDEOHT-UHFFFAOYSA-N", "SMILES:CC(C)(CNc1ccc(C(N)=O)cn1)c1cccc(NC2CNC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPWNKIPYDKLPA-UHFFFAOYSA-N", "SMILES:NCc1ccc(Cn2ccc3cc(C(N)=O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOHMKDSCXKJEP-UHFFFAOYSA-N", "SMILES:NCc1ccc(Cn2ccc3cc(C(N)=O)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLXYKEVLXJCMSB-UHFFFAOYSA-N", "SMILES:CNC(=O)Cn1ccc2cc(C(N)=O)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIQQRAGCMNPWEQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2c(ccn2CC(=O)NC2CNC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSAVAVFDIYQNAY-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2c(ccn2CC(=O)NC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUSVGPVICZUTKJ-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1ccc2cc(C(N)=O)cnc21)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPGYEKECUHATH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2c(ccn2CC(=O)N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOGLRFYGFVSIJO-UHFFFAOYSA-N", "SMILES:NCc1ccc(Cn2c(C3CC3)cc3cc(C(N)=O)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDJRUJWXDYQCOC-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1c(C2CC2)cc2cc(C(N)=O)cnc21)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRYBTEHWDKITLC-UHFFFAOYSA-N", "SMILES:CN1CCC(N(C)C(=O)Cn2c(C3CC3)cc3cc(C(N)=O)cnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEVLSLOCLAEZQX-BJWYYQGGSA-N", "SMILES:CN(C(=O)Cn1c(C2CC2)cc2cc(C(N)=O)cnc21)[C@@H]1C[C@H]2CC[C@@H](C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYDNISPFFBQXAG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2c(c1)cc(C1CC1)n2CC(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRIRTVKCDBIOC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Cn2c(C3CC3)cc3cc(C(N)=O)cnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPZMHFOYKBVDI-MRXNPFEDSA-N", "SMILES:CC(C)[C@H]1CN(C(=O)Cn2c(C3CC3)cc3cc(C(N)=O)cnc32)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYIWVLUZNJTPHE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc2c(c1)cc(C1CC1)n2CC(=O)N1CCNC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKTDHXQZJKVOCT-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(COCc2ccccc2)n(-c2ccc(S(=O)(=O)Cl)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENUTBGPDYEMED-UHFFFAOYSA-N", "SMILES:CCCCc1c(C(=O)O)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBCABMGWAVHWIO-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(-c2ccccc2)n(C(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJGAYAWJPIKYFJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(C(=O)O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRTVRAYBACXTOR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1c(-c2ccccc2)c(C(=O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCQLIUTYPMTSHL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(CO)c(C(=O)O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPHDBPFTYIFBJZ-UHFFFAOYSA-N", "SMILES:CCCCc1c(C(=O)O)c2ccccc2n1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFZLNBDVDWTDPH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1c(COCc2ccccc2)c(C(=O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKEQTBGRPLGHBY-UHFFFAOYSA-N", "SMILES:CCCCc1c(C(=O)O)c2ccccc2n1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNESTKJAJHDXDZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(COCc2ccccc2)n(C(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTCBASIOGKSKHR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)n1c(CO)c(C(=O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLSFPSBBLHNWHS-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(CO)n(C(=O)c2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23013", "category": ["biolink:ChemicalEntity"], "name": "PROPAMIDINE", "xref": ["InChIKey:WTFXJFJYEJZMFO-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1"], "synonym": ["Propamidine", "Propamidine", "Propamidina", "Propamidine", "M&B 782 FREE BASE", "M&B-782 FREE BASE"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGBCKBHQWGBIH-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2cc(NC(=O)c3ccc4ccccc4c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPHXYPVTNAXMGB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc3c(c2)CCN(C(=N)N)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTBYXNBIPASDI-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBKJAIFNAXQBI-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2cc(NC(=O)Cc3ccccc3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBADQINEGLICN-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2cc(NC(=O)c3cccc4ccccc34)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFWBKTQJUAJTKE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(c2)CCN(C(=N)N)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCJMFGEAHHLMH-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2cc(NC(=O)c3ccccc3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFGFQYYIOCODI-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCc2cc(NC(=O)c3ccc(Cl)cc3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRRHSNOXWKVDL-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZFLSWUCZKXSQQ-UHFFFAOYSA-N", "SMILES:O=C1NCCc2ccc(cc2)Nc2nccc(n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAOBOWYZYMDBR-UHFFFAOYSA-N", "SMILES:O=C1NCCCCCNc2nccc(n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYRVNWIIDPDHMR-UHFFFAOYSA-N", "SMILES:O=C1NCCc2cccc(c2)Nc2nccc(n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCLAINPBCVYCMR-CZIZESTLSA-N", "SMILES:Cc1ccc(/C(=N\\O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLWIKBNNYLCANS-LVZFUZTISA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCN(/C(=N/O)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJIHELHNRHXZIF-HTXNQAPBSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCN(/C(=N/O)c3ccc([N+](=O)[O-])cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMEGVAXNSOBAQE-CZIZESTLSA-N", "SMILES:COc1ccc(/C(=N\\O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOCYSDBHUJLEPT-LVZFUZTISA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCN(/C(=N/O)c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBYSWSQAAJYDR-HTXNQAPBSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCN(/C(=N/O)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGXFNEAZYVDSMA-HTXNQAPBSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCN(/C(=N/O)c3ccc(O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWAUYUTKHCUHK-KNTRCKAVSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCN(/C(=N/O)c3ccncc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVPVMFQHOTOOG-KBGXGACLSA-N", "SMILES:Oc1cc(Cl)c(C2CC2)c(-c2ncc3c(N4CC5CCC4CN5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVHIQXTRVNEFC-CTQNCCGTSA-N", "SMILES:[2H]C1([2H])CC[C@@]2(COc3nc(N4CC5CCC4CN5)c4cnc(-c5cc(O)cc6ccc(F)c(C#C)c56)c(F)c4n3)C[C@@]([2H])(F)CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCXRJSKPANWKEG-IZLDQSILSA-N", "SMILES:[2H][C@H]1CN2CCC[C@@]2(COc2nc(N3CC4CCC3CN4)c3cnc(-c4cc(O)cc5ccc(F)c(C#C)c45)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVJIBUGQKHLPN-YEGHQCJOSA-N", "SMILES:[2H]C1([2H])CC[C@@]2(COc3nc(N4CC5CCC4CN5)c4cnc(-c5cc(O)cc6ccc(F)c(F)c56)c(F)c4n3)C[C@@]([2H])(F)CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVPVMFQHOTOOG-XJLDODEZSA-N", "SMILES:[2H]C1([2H])CC[C@@]2(COc3nc(N4CC5CCC4CN5)c4cnc(-c5cc(O)cc(Cl)c5C5CC5)c(F)c4n3)C[C@@]([2H])(F)CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXSICEXKLUHLDZ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cccc(Cl)c2)c2ccc(C(=O)NS(C)(=O)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQSIOIGTXTCOF-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccc(Cl)cc2)c2ccc(C(=O)NS(C)(=O)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRCVALQRZFUQM-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2cc(C)c3cc(C(=O)NS(C)(=O)=O)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSMYUAIFIUQIQ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cccc(C(F)(F)F)c2)c2ccc(C(=O)NS(C)(=O)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQYAJITVTYYED-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cccc(C(F)(F)F)c2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLHOCWOJQNGDRO-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cccc(F)c2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHJDOMZMXIOCJJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(NCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMRIAXWJDJOGQF-UHFFFAOYSA-N", "SMILES:Cc1cc(CNc2cc(F)cc(C(=O)O)c2)ccc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APEPUESSWGOBML-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(NCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXWBXNABIUBURE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGQYDTBINCPYNL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(NCc2ccc(-c3ccc(F)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVRWZQACUALWDO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJUQYHAYOPCGOM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(NCc2cnc(-c3ccc(C(F)(F)F)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFOVVEBCODJICS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(CNc3cc(F)cc(C(=O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJRMJOUOURZFL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)c(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFAALGSBOBPRB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMBWFCNESIRCV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNSOQKZUGQGCEW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(CNc3cc(F)cc(C(=O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBHFOJDBNYLHDA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(CNc3cccc(C(=O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRSBCNFCPKQGLV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(NCc2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKMVKVJVLGFTMO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJJZRKUKXJPDN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSMIGTFDWCOYGM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NCc2ccc(-c3ccc(F)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKYFIHRHBXLQNC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(NCc2ccc(-c3ccc(Cl)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCGMDONLMUJQGT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(CNc3cc(F)cc(C(=O)O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSNXCFZVAKOMB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)cc(NCc2ccc(-c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXNLBQGRCDDZBH-BDGIHFKJSA-N", "SMILES:Cc1cc2c(-n3cncn3)nc3c(F)c(-c4cc(O)cc5ccc(Cl)cc45)c(CCC#N)cc3c2n1[C@H]1[C@H]2CN[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJPPIIWSDLTIY-ICQRPVAISA-N", "SMILES:C[C@H](Oc1nc2c(F)c(-c3csc4ccccc34)c(CCC#N)cc2c2c1cc(CN1CCCC1=O)n2[C@H]1[C@H]2CN[C@@H]1C2)[C@@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJPTXHUCXQVWDD-KPROOAEESA-N", "SMILES:CN(C)C1(C)CN(c2nc3c(F)c(-c4cccc5ccc(F)cc45)c(CCC#N)cc3c3c2cc(CN2CCOCC2=O)n3[C@@H]2[C@@H]3CN[C@H]2C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOAKZURKDPPHEX-UUDQAKJESA-N", "SMILES:Cc1nc2c(F)c(-c3cccc(Cl)c3Cl)c(CCC#N)cc2c2c1cc([C@@H](C)NS(=O)(=O)C1CC1)n2[C@H]1[C@H]2CN[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWYRAWVPJLHRPJ-LJCQVHPOSA-N", "SMILES:Cc1nc2c(F)c(-c3cccc(Cl)c3Cl)c(CCC#N)cc2c2c1cc([C@@H](C)NC(=O)c1cscn1)n2[C@H]1[C@H]2CN[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXNAVUGRIWGGT-LUNVYATGSA-N", "SMILES:Cc1nc2c(F)c(-c3cccc(Cl)c3Cl)c(CCC#N)cc2c2c1cc([C@@H](C)NC(=O)c1ccncn1)n2[C@H]1[C@H]2CN[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCPHTUCSUVWNC-KFAHYOAQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAEPWYDZBRWDHX-KFAHYOAQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZIBHVZJOMIGLN-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc(Cl)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFHSMQFUWVWAB-ACSHICKMSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)S(=O)(=O)c2cnc(Cl)cn2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPECMMZHGMEUBF-SQIXAUHQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANDRQOXIPAOFZ-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQHFLVUZTSDWHK-KFAHYOAQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYAFDBUXKEPLD-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2cccc(C(F)(F)F)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEJUOQONZQCBK-UQEZQTQMSA-N", "SMILES:COc1ccc(CN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFHQILVPHPORTO-BPAMBQHCSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVCMZGQEZUDNL-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc(C(F)(F)F)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZDSWCRRFYQQOQ-KFAHYOAQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)S(=O)(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGDPERSVLQUKR-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc(I)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQQLJWZXYWXYOS-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEWVLPQODNVOW-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRJZDAYJNAWWDT-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2cc(Cl)cc(Cl)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRRNQPKVDUDJJ-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2cccc(Cl)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOYOFPAKKMGZQI-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc(Cl)cc2Cl)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRQWBRCLLPYNGV-SWQDORGXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc(Br)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHCDZXROHBYPN-SGMWGILVSA-N", "SMILES:CC(C#N)N(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOVITHMCNDEBJU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc3ccccc3n(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQJRDSPPDLFGOL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1cc2cccc3c2n(c1=O)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMHHRBHRVVHFH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)Nc2ccc(F)cn2)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLUUQBLCXRNNCF-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)Nc2ccc(F)cc2)cc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTXVOYXCYIENF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc3ccccc3n(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWEIKRQKZQBEQP-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c(C(=O)Nc2ccc(F)cc2)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWNKAAPXTYEBN-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYAXXBEAXZUNZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)Oc1cccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJOHIHCMNCVLZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(Nc2cccc(O)n2)cc1Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDFXWFUXDCODKM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(Nc2ccc(O)cn2)cc1Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJHDFPZYMYNPX-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCIYBLLXGUWHFX-UHFFFAOYSA-N", "SMILES:CC1(N2CCC(c3cc4cc(NC(=O)c5cnn(C6CC6)c5Cl)ncc4cc3Cl)CC2)COCC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNNPJBYAYQEQG-UHFFFAOYSA-N", "SMILES:CC1(N2CCC(c3cc4cc(NC(=O)Cc5ccncc5)ncc4cc3Cl)CC2)COCC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZPYQFHCWJKUCE-UHFFFAOYSA-N", "SMILES:CC1(N2CCC(c3cc4cc(NC(=O)C5CC5c5ccccn5)ncc4cc3F)CC2)COCC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYMFHSBVBRKCHX-UHFFFAOYSA-N", "SMILES:Cc1cc2cnc(NC(=O)C3CC34CCOCC4)cc2cc1C1CCN(C2(C)COCC2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPFFOWTHJJFHP-UHFFFAOYSA-N", "SMILES:Cn1ncc(C2CC2C(=O)Nc2cc3cc(C4CCN(C5(C)COCC5O)CC4)c(Cl)cc3cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSAXYLANSHKGMU-DLTRTILVSA-N", "SMILES:C[C@@]1(N2CC[C@@H](c3cc4cc(NC(=O)C5CC56CC6)ncc4cc3Cl)[C@H](F)C2)COC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL386051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAARYSWULJUGST-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL349810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKNBSSMNQGLXEA-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=C(Nc3ccc(Cl)c(C(=O)O)c3)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL537757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDPQXXUVGVIND-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3c(C)nc(-c4cc5ccccc5[nH]4)n3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNSGRMQSJUSGX-UHFFFAOYSA-N", "SMILES:COCCOc1cc2c(-n3nc(-c4ccccn4)nc3N)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMHIFXJPSHHPH-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cc[nH]/c(=N/c3ccc(-n4cnc(N5CCOCC5)n4)cc3)n2)cc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCZDPFMSAKKNRH-OQLLNIDSSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOHLJRLTAVJARA-KCBYSLGISA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3nccc(/C(C#N)=C4\\Nc5ccccc5S4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVEQZZDCYHGRFD-UHFFFAOYSA-N", "SMILES:CC(C)NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL471059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTDSYGYZFQKOY-UHFFFAOYSA-N", "SMILES:CCNCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURGOIXNFGPAMJ-UHFFFAOYSA-N", "SMILES:NCCCC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBMTSUNTTWJEJ-UHFFFAOYSA-N", "SMILES:NCC(NC(=O)c1cc(-c2cn[nH]c2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFVNJRHXJWMHHS-UHFFFAOYSA-N", "SMILES:NCCC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDZNPZEVVOHHM-UHFFFAOYSA-N", "SMILES:NC(CNC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLACIZOIMWNLLB-OAHLLOKOSA-N", "SMILES:NC[C@@H](CC1CCCCC1)NC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJIUZMDTSMYFE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CC(=O)N1CCc2cc(-c3cn(C)c4ncnc(N)c34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1807710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLEUWSFCKXAIKJ-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Nc3ccc4c(c3)CN(C)CC4)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJDBCYRQSJNLZ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEIQAGHTFXGFSZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUSVFKWUQBVHH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(F)c2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGQMOPRPFKJKL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccc2Cl)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSTSANFOMJOPFU-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUQGBQGTWOTQOS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZXRCBCAYLKPI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXZHFEXEUNSRPZ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn[nH]c2)c2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1808262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUDFMRQSRTMSH-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFMIMXTUYSRPE-MRXNPFEDSA-N", "SMILES:O=c1[nH]ccc2nc(N[C@@H]3CCCNC3)nc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519881", "category": ["biolink:ChemicalEntity"], "name": "GW861893X", "xref": ["InChIKey:UYDANWBUSABCEA-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3c(C)nc(-c4cccc(Oc5ccccc5)c4)n3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520037", "category": ["biolink:ChemicalEntity"], "name": "GW837331X", "xref": ["InChIKey:FGUYNCHKIOFPMS-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc3c(C)nc(-c4cccc(C(F)(F)F)c4)n3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSXDRRLHDNVHTI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc3c(N)c(C(N)=O)nnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTHVKCSYXICMAR-UHFFFAOYSA-N", "SMILES:Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(C(N)=O)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLMJMTPRBLGCRP-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2)=C1Nc1ccc(Cl)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLWKXHTADHNDS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1ccc(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGICZXPTVAKIDT-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMARTVDMQPCDI-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccccc2)=C1Nc1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJLHOJPSZZLSS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1997822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDWMUCKJUNLURC-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(-c3csc4c(-c5cccc(S(C)(=O)=O)c5)cnc(N)c34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYACBMRLQMEIAI-UHFFFAOYSA-N", "SMILES:O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1994830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVBELDBJGYFEM-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1988153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMHKMKWSWHFKTM-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGGUGPIWDHBAI-LJQANCHMSA-N", "SMILES:NC[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDAXOPGNTONHMU-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)Cc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3646210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBFHTIUXUCYRQ-KRWDZBQOSA-N", "SMILES:Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](C)O)c5)cnc(N)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZQZMSAWVDRSP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDRLBYPQASBCQA-UHFFFAOYSA-N", "SMILES:Nc1nccc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMNFWRMUCKWCS-UHFFFAOYSA-N", "SMILES:Nc1nccc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQVDKUZOKMCUSV-UHFFFAOYSA-N", "SMILES:Ic1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL491228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCPSMBVBKJXJPP-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDWLPRYLVPDTG-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.O=C(O)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFDTNBKNJFDQP-UHFFFAOYSA-N", "SMILES:Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)cccc3c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OODPPJDFRMJIDK-UHFFFAOYSA-N", "SMILES:Nc1nccc(Oc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)cccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYGAWXBNPFOKF-UHFFFAOYSA-N", "SMILES:Nc1cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)cccc3c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4104297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLQJNIKDWEEFT-UHFFFAOYSA-N", "SMILES:Nc1nccc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)cccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGRJGRIPIDCMM-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nccc(Oc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)cccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVGFEAZBORBGFQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)c3cccc4cc(Oc5ccnc(N)n5)ccc34)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSHDRXJANPJDRQ-UHFFFAOYSA-N", "SMILES:CCc1cccc(NC(=O)c2cccc3cc(Oc4cc(N)ncn4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCHEEFSTGEALA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)cccc3c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTAZZYBVMDLNEB-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)cccc3c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVCPXLQPUCRFEF-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)cccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAJGIEVMPKNFTN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMDYIGEWXWOOI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMLGIOLTESMMRK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZMAVPMPPORZNT-UHFFFAOYSA-N", "SMILES:COc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOFBUNUDWXBSZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1Cl)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJUDIYPNWBIDNH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAPPKVUCFSPXNL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFHYCZOXNRBREO-UHFFFAOYSA-N", "SMILES:CCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORWUQJNIZUKNZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1Oc1ccccc1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTRFGHCJJJKLNN-UHFFFAOYSA-N", "SMILES:CC(C)(C)COc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYBXDJNRVFIQTH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCC1CC1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZZORCJVZKEHP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCCO)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJPNQVCPACJMH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKJBRABNGKKEQZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1cccc(F)c1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMINIFOLNFYOOD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSJHKAPXYLZAOS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccncc2NC(=O)c2ccnc(NC(=O)C3CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHEGERKTBZOREL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(OC(F)(F)F)cc1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNNDHTUHGTAEJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccncc2NC(=O)c2ccnc(NC(=O)C3CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNBEDDKSIPEQC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVBUSZSQFOSNU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(OC(F)F)cc1)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKWKPORPODXCMU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccncc2NC(=O)c2ccnc(NC(=O)C3CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCAIGCKZZLIJFZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccncc2NC(=O)c2ccnc(NC(=O)C3CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTCADIVUJRTNH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1C(F)(F)F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUNUJMCHFAOKT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1Cl)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCZVUKTNGBHOF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTMOSQZONYWBG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(Cl)cc1Cl)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLYDGMRCYZTFK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1Cl)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJODIOMIPYEGM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1C(F)(F)F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLLWTLQKNSFOR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(Cl)cc1F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGLHDIYLNNWJL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1cc(F)ccc1F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUQDMQZYZIYAFS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1cccc(F)c1F)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZPAIZKCGQCIOF-UHFFFAOYSA-N", "SMILES:N#Cc1ncccc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXQCCJUQGHRPJT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCKYSTKYIVULEK-DEOSSOPVSA-N", "SMILES:Cc1nnc(-c2ccc3occ(-c4ccc([S@+](C)[O-])cc4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNBASQITCUFBBM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)NCCCOC(C)C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQWSXXQNUQERH-VMPREFPWSA-N", "SMILES:O=C(Cc1cccc2ccccc12)Nc1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPNLMNCKGAUBA-VMPREFPWSA-N", "SMILES:O=C(Cc1cccc2ccccc12)Nc1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2Br)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOWZMOZIQDBLI-ZAQUEYBZSA-N", "SMILES:O=C(Cc1cccc2ccccc12)Nc1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2NC(=O)Cc2cccc3ccccc23)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIBXFUBAUTVIGY-KYJUHHDHSA-N", "SMILES:O=S1(=O)N(Cc2ccccc2-c2cc3ccccc3o2)C[C@H](O)[C@@H](O)CN1Cc1ccccc1-c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMACSGLMLFUSD-GAYSTUHSSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHKETGFWJPEIO-UHFFFAOYSA-N", "SMILES:NC(=O)CN(Cc1ccc(N)cc1)C(=O)CN(CC1CCCCC1)C(=O)CN(Cc1ccc(N)cc1)C(=O)CCCCCCCCCCCCCCC(=O)N(CC(=O)N(CC(=O)O)Cc1ccccc1)Cc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGTDRHYRKPROPD-UHFFFAOYSA-N", "SMILES:CCC(C)N(CC(=O)N(CC(N)=O)Cc1ccc(N)cc1)C(=O)CN(CCSC)C(=O)CCCCCCCCCCCCCCC(=O)N(CC(N)=O)CC(=O)N(CC(=O)O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQPDELHLZKAOZ-DEWPOFALSA-N", "SMILES:CCC(C)[C@H](NC(=O)[C@H](CCSC)NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccc(N)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJJGLAIQXYXEV-FLOGJHMHSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](CCCCNC(=O)OCc3ccccc3)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMSVVWNFMADEMG-WCQONJCXSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](CCCCNC(=O)OCc3ccccc3)C(=O)NNC(=O)c3cc(NC(C)=O)ccc3OC)cc2c1)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBYWZOSJDGNULF-UMJIWMCASA-N", "SMILES:COc1cccc2c1C(=O)C[C@H]2NC(=O)[C@H](OCc1cccc(Br)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(Br)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUCVBVDKMBJNL-LJMFFZSVSA-N", "SMILES:O=C1C[C@@H](NC(=O)[C@H](OCc2cccc(Br)c2)[C@H](O)[C@@H](O)[C@@H](OCc2cccc(Br)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYAKJSDOQPRAX-YCXOGWGTSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC(F)(F)[C@H]21)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDJWQBANGGDHF-UUNMLIRYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC(F)(F)[C@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVBPHPKLLRHIO-KFRGZICISA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2C[C@@H]3OCO[C@@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHQKVIJWHUPQT-DVKXZNKPSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3C[C@@H]4OCC[C@@H]4[C@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATWKPWWBTFNYMB-UIOOFZCWSA-N", "SMILES:O=C(Cc1cccc2ccccc12)O[C@H]1CNC[C@@H]1OC(=O)Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYIBXKLXLXYMK-SZAHLOSFSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)n2cc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWAZRJLRMEJDV-FWGCVNADSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)n2cc(COC(=O)N[C@H]3c4ccccc4C[C@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5316194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUAREZKHOFUNR-XHYJQIQKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]2Cc3ccc(cc3)OC/C=C/CCc3c(O)cccc3C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLYPCIMVVLLRN-FXSYQQGGSA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMTVMSJTCIQMF-AJIIGFCHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(OCP(=O)(O)O)cc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDNTWQYQXCMZIS-MVSXCLQGSA-N", "SMILES:Cc1c(O)cccc1C(=O)N[C@@H](c1cccs1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL577017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOUIBTAUUWLUGP-RBLSKBOASA-N", "SMILES:CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRMHPRUUKDEKO-KYJUHHDHSA-N", "SMILES:Cc1cccc(C)c1OCC(=O)N(Cc1ccccc1)C[C@@H]1CNC[C@H]1CN(CC(C)C)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4573962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGQRUQCHRFZGR-VXGBXAGGSA-N", "SMILES:C[C@H](Cc1cc2c(cc1O)OCO2)[C@H](C)Cc1cc2c(cc1O)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPSIUCVYRUWLT-GXLVEBBQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(=O)NCCc1ccc(Oc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDNSCOBNNSIZKN-KLGRSVOBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(=O)NCCc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMXXQQBWCZJMY-KLGRSVOBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(=O)NCCc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKFBLBOTMRRDDA-PZOHKCEOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGAUFMQYWZJAB-FPLPWBNLSA-N", "SMILES:CCCCCC/C=C\\CCCCCCCc1cc(O)cc(O)c1"], "synonym": ["5-{8(Z),-Pentadecenyl}Resorcinol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5265800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTVRBKMGZAFGP-IRXNQVMWSA-N", "SMILES:C=C(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)C[C@H](OC(C)=O)C[C@](C)(C(=O)O)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5289945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXNSCTWZRCYTPA-FPNPYYSJSA-N", "SMILES:C=C(C)[C@@H]1CC[C@@]2(C)[C@@H]1C1CC[C@@H]3[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@@]3(C)[C@]1(C)C[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRKIVCLTXICLY-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccnc(N)c1C(c1ccc(Cl)cc1)=NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWUOGUODWGCKU-IBGZPJMESA-N", "SMILES:Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFIMPXSIQVDFQ-SFHVURJKSA-N", "SMILES:CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2ccccc2-c2c(C)noc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRUDZUIYYFJOOR-IBGZPJMESA-N", "SMILES:COCCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2ccccc2-c2c(C)noc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXAOKSYHGBRQPM-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJJNEGXQYSBTJY-UHFFFAOYSA-N", "SMILES:CCNC(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2-c2c(C)noc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBRGZLSBRYNAP-INIZCTEOSA-N", "SMILES:Cc1noc2c1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIXJQSUPAVWIZ-KRWDZBQOSA-N", "SMILES:Cc1noc2c1-c1ccccc1C(c1ccc(C#N)cc1)=N[C@H]2CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHSNFWEOHFSRF-KRWDZBQOSA-N", "SMILES:Cc1ccc(C2=N[C@@H](CC(N)=O)c3onc(C)c3-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHINOITGMAFLF-KRWDZBQOSA-N", "SMILES:COc1ccc(C2=N[C@@H](CC(N)=O)c3onc(C)c3-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXBNZXYJPAAPJ-INIZCTEOSA-N", "SMILES:Cc1cccc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(N)=O)c1onc(C)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIUIYDIJKKQYAX-KRWDZBQOSA-N", "SMILES:COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H](CC(N)=O)c1onc(C)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JULZHVGPNUZSSZ-FQEVSTJZSA-N", "SMILES:Cc1noc2c1-c1ccc(-c3ccc(N)nc3)cc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSGVPSREBBDGTO-IBGZPJMESA-N", "SMILES:Cc1noc2c1-c1ccc(-c3cn(C)cn3)cc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNMFQDGFANANLR-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1cn(C)nc1C(c1ccc(Cl)cc1)=NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSUVDBQOKRLTIN-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1c[nH]c(=O)cc1C(c1ccc(Cl)cc1)=NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBZZXONGPUXRAP-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccc(=O)n(C)c1C(c1ccc(Cl)cc1)=NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSYQGROIJVRZOS-UHFFFAOYSA-N", "SMILES:CNc1ccc2c(n1)C(c1ccc(Cl)cc1)=NCc1onc(C)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJVNGQPJEKWFDN-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVBAGZIAQBWUJP-UHFFFAOYSA-N", "SMILES:Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJWICKGWXRDNV-UHFFFAOYSA-N", "SMILES:Cc1onc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQFCOLCRXZSIK-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJSOCDEDXUJKG-BHWOMJMDSA-N", "SMILES:Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIGAZXOEKVLKJ-UHFFFAOYSA-N", "SMILES:COc1nccc2c1C(c1ccc(Cl)cc1)=NCc1onc(C)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEYZCWXIXFLRS-FIXZTSJVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZDGIDYFMBOZLA-DKWPCZOMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@@H](C(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYVWYJISHLXCV-DKWPCZOMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@H](C(N)=O)CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNLOEYVMCLFNOF-DKWPCZOMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PORNGZLSTOVPAP-QOFNKPOASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUVFQUJUGWBNJA-QOFNKPOASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCZUPCAYUIJPK-GJFKNRNDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDHRIOMTUQLRU-NQBGTIOHSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLUXTGTURXBMGU-DCBLBBIQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJVYISGBQMPOK-JEKWBXCUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBYOLYKARPVJR-BWJWTDLKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLGQVJAGBYOQU-NPZDBFJMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSNQIGXDPOMLZ-KVYFAMGZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTNZHNGYYAVIN-OGFQRHRDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNRQCOYBOVHNDB-VGCAPAJMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNIZJOZKSZXWTM-UBFNLWAXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYULFDSNZXHJIP-NVRHUXBUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUKRODMCRRICT-NVRHUXBUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJISMTMRAZMGOR-MBZPSOJASA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIJRCVCZMLKDMN-UTLFUYNOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMZAUNGEUWWRI-UTLFUYNOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNBBQCQDHPELP-DCBLBBIQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXKWVFXNMLQLU-DCBLBBIQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDEHXALFFFCIQA-DKWPCZOMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYRWMHULAQJGDO-DKWPCZOMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJUDDNMGIAOGZ-OLDNPOFQSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJUDDNMGIAOGZ-JXFGHYCFSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJUDDNMGIAOGZ-KBRDRDRXSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJUDDNMGIAOGZ-XRVGGGAJSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAOIIATWHWCJY-LCJMHDQGSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKEZDTPKWPJGKJ-LCJMHDQGSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)c1cccc(Br)c1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRNBCYQAPNFSN-LCJMHDQGSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCSLUFMFJDDRLP-MYTZRPOQSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)Cc1ccc(F)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBBRVOQREQSJFB-MYTZRPOQSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)Cc1cccc(Br)c1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKRNKDEOZFTLY-MYTZRPOQSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJPMQGTLJIJPZ-LPQZNVNGSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)c1cc2ccccc2cc1N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPSNYGKPDPRFPR-QJEGEVHRSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)c1cnc2ccccc2c1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGAEZZLIPARFA-XHBZVTFFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWPDKNHCSDOGF-JRADREEXSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@H]1NCCc2ccccc21)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSVLOSHSKLECL-KMULWDGJSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COOSNWIBCASPCB-JREFTJHFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBRIVIRAAPNZBF-JREFTJHFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYVHVTWBCRXQL-DEQRPJDESA-N", "SMILES:COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H]2CSSC[C@@H](C(N)=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPBKBZDEOPSBE-PTXZYOPASA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVRIKDZSRRUOED-PTXZYOPASA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQPNZSCLVYUDD-PTXZYOPASA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWRSEICSTMDHPZ-BTVYXRGWSA-N", "SMILES:CC1(C)SSC[C@@H](C(N)=O)NC(=O)[C@H]1NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYJJVLYMDSHNJ-ABGSUWOOSA-N", "SMILES:CC1(C)SSC[C@@H](C(N)=O)NC(=O)[C@H]1NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVUKUDCSLSNBCU-ZHFLEWKPSA-N", "SMILES:CN(C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOWZTRVFKWGUFM-IGVINGPQSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CN[C@H]1CSSC[C@@H](C(N)=O)NC1=O)CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSRIHZWECPNXKK-JRADREEXSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMORKTHGQGYYGH-KZPPUNKBSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFTTXAGMGSQBR-OQBJCEDTSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSCC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSXZOWQOUDWSBO-UEDWDGMESA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCSSCC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCEOODQUKGLEEM-XHBZVTFFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[Se][Se]C[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUXUVKIMMFYBMZ-XRVGGGAJSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[Se]SC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGDUSLIUICLJL-JREFTJHFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC(=O)NC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGMMVCZPALFDF-ZHFLEWKPSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSCSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTRNQWPKXPAPA-ZRBWWFCKSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSCCN(CC(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNAJTIMFPJXRPF-ZRBWWFCKSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N1CCSSC[C@@H](C(N)=O)NC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSWCLJTDBQZOR-QUQVWLGBSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCCCN(CC(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGOXUVVQCMABFO-YVJOSFEESA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](C(N)=O)CSS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBDIZVFKMYSIH-YVJOSFEESA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSS[C@H]2C[C@@H](C(N)=O)N(C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTIKUNZNELSFPA-KMULWDGJSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWOGXAXHYFCBAD-JREFTJHFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDALWWVMSNMKB-JREFTJHFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKRAHMLGALKGIS-PNHLWVRCSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSSQXWRZLAGOU-XHBZVTFFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBVBFSLMXAHECA-KYXKHTIRSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKOLDIVDKBUTDM-XNWFEFSCSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCKRUAKYBKAJO-UOIOEVMJSA-N", "SMILES:C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLUGJJLCHQSYNE-LQJYGHRJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOKPQGASNBOXJY-XHBZVTFFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCVCRVWDGZPTQ-FJFXRYBISA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQHJXJQTISXXLL-CJKOIZGMSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)NCC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAKRQSPOCWCNQ-XHBZVTFFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXWHUTDDQOYWOK-JREFTJHFSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFAGDWHZWQEHDQ-MYTZRPOQSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMOVPCGGTUEFQK-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CC3CCOCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOAXHGACYRWNGO-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCC3CCOCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTUPNFIVUXKROL-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCC3CCOCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJXKGZFZGGRWGT-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCOCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCJFDXESQOACE-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCCC3CCOCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWWLHUZEMNOWQM-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCCCC3CCOCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWKEDXCWCJJLD-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCCOC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRCGVPWKBJJAF-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCCCO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDGOZKLNJHTCIA-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCOC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPUYPNFHCLMCFI-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCCO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDCDMCXUPKVCC-VUWPPUDQSA-N", "SMILES:CCCCOc1nc(N)c2c(n1)C(CC[C@H]1CCOC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDCDMCXUPKVCC-NFJWQWPMSA-N", "SMILES:CCCCOc1nc(N)c2c(n1)C(CC[C@@H]1CCOC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOQWHULBKAFGLW-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCN3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFALWWMQXNHKG-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2nc(O)n(CCCN3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYGPBWNIYMKFTC-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPAKSBURJATTSS-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCCNC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3546576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUPLKUVOUGTMRW-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCNCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJEAXFMCSBXXBP-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCN(C(C)C)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAZUGADDKIIJOC-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN3CCN(C(C)C)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRMMLIQTVCYBS-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN3CCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNCHHBZFSUJQNC-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN3CCCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPPJVROJVRJFAI-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN3CCOCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHACSBHNBCYXMS-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCCN3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVHUMLGWBKZTRZ-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)c2[nH]c(=O)n(CCCCCCN3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVMUZNAKGNOAM-AWEZNQCLSA-N", "SMILES:CCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCCCN3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWILLEZKQHITHT-HNNXBMFYSA-N", "SMILES:CCCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCCCN3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCHHXLPVNOAILM-UHFFFAOYSA-N", "SMILES:Nc1nc(OC2CCCC2)nc2c1[nH]c(=O)n2CCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXDNISTZUFZER-AWEZNQCLSA-N", "SMILES:CC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCCCCN3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPNULTUOZDRIJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc(N)c2[nH]c(=O)n(CCCCCN3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGOTXBFWANUCS-ZDUSSCGKSA-N", "SMILES:CCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCCCC3CCOCC3)c2n1"]}
{"name": "Toll-like receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL4105722"], "id": "UniProtKB:B3Y652", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9541"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3578202", "category": ["biolink:ChemicalEntity"], "name": "GOZETOTIDE", "xref": ["InChIKey:QJUIUFGOTBRHKP-LQJZCPKCSA-N", "SMILES:O=C(O)CCc1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(CCC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)ccc2O)CC(=O)O)c1"], "synonym": ["Gozetotide", "Psma-11", "Psma-hbed-cc"], "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5289867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEQPDZSZGWWRIJ-ACHIHNKUSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSSCKQGHNZORO-SVBPBHIXSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOAUEQXNPBGENX-HEVIKAOCSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(CNC(=O)c2ccc(CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGEWNDWZDBWWTM-YATWDLPUSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(CNC(=O)c2ccc(CNC(=O)c3ccc(CNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)cc3)cc2)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQMSQIKHJMSYNJ-CRKOEVGVSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(CNC(=O)c2ccc(CNC(=O)c3ccc(CNC(=O)c4ccc(CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)cc4)cc3)cc2)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUOQPXWMXLIKDX-AFEGWXKPSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594280", "category": ["biolink:ChemicalEntity"], "name": "VIPIVOTIDE TETRAXETAN", "xref": ["InChIKey:JBHPLHATEXGMQR-LFWIOBPJSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(=O)O)C(=O)O"], "synonym": ["Vipivotide tetraxetan", "Vipivotida tetraxetan", "Vipivotide tetraxetan", "DKFZ-PSMA-617", "PSMA-617", "PSMA617", "Vipivotide tetraxetan"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHPLHATEXGMQR-ZTKYIJSPSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWSJCHBFVTYQL-KEXWGLBZSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXHULSQFDOIYFB-LFWIOBPJSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOPWIXCKGFJSC-CPCREDONSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFHWHTNWHRQVFU-IGMOWHQGSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKXMGJOQFDPXJX-FSEITFBQSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQXBCSQPDGAZOA-FWEHEUNISA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEVATMATUNVQKT-CVUOCSEZSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBHKKNZBWTWCV-PVEGFDORSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](CNC(=O)[C@H]3CC[C@H](CNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)CC3)CC2)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJKSFUENZMMGK-MKJGCKHTSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTIVYMIPNDGFE-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cc(Cl)c(Oc2ncccc2C(=O)N2CCCc3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKSWNKUSMGRFMZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cc(Cl)c(Oc2ncccc2C(=O)N2CCCc3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTHUTLWCWYXOJM-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)CCc1cc(Cl)c(Oc2ncccc2C(=O)N2CCCc3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCQZMDSGBAIJJ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cc(Cl)c(Oc3ncccc3C(=O)N3CCCc4ccccc43)cc2Cl)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDPVIZDUKKSIN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJPPDSHPNSOGD-UHFFFAOYSA-N", "SMILES:O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVSFAZOEDSXEX-HDICACEKSA-N", "SMILES:CCC[C@]1(O)CC[C@]2(CCN(c3ccc(OC(F)(F)F)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVSFAZOEDSXEX-IYARVYRRSA-N", "SMILES:CCC[C@]1(O)CC[C@@]2(CCN(c3ccc(OC(F)(F)F)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VALAUVHMCIZSTQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSCZUVPQAFJGQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JALHFNXSHFSVBJ-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2cccc(OC(F)(F)F)c2)cn1-c1ccnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIXHNHQENAMNS-UHFFFAOYSA-N", "SMILES:O=c1ccn(-c2cccc(OC(F)(F)F)c2)nc1-c1ccnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRYBDQEJNPOHM-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cccc(OC(F)(F)F)c2)cc1-c1ccnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKZYJNMRYAQAM-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cccc(OC(F)(F)F)c2)nc1-c1ccnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGFDMHLQGULMA-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRDNOJGUHXSWRB-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDYJYWKBTLRTHP-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URBVMCHIBNRDKB-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3642829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFYPJICJPIWOT-UHFFFAOYSA-N", "SMILES:CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3642826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROIASNIEFPZNJL-UHFFFAOYSA-N", "SMILES:CCC(Nc1ncnc2nc[nH]c12)c1nc2ccccc2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3642827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWLUHIZKDUPYPV-HNNXBMFYSA-N", "SMILES:CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3642828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSYYHQNXNHAIK-UHFFFAOYSA-N", "SMILES:CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDMKORIUQLTIJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)nc2n1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRIXPHJAVXIBHX-UHFFFAOYSA-N", "SMILES:Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(C(C)(C)C)n(CCO)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSIXUGGGPHCYJQ-UHFFFAOYSA-N", "SMILES:OCCn1cnc2c(-c3cn[nH]c3)nc(N3CCOCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXCGWYXXEKPLAA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(CCn2cnc3c(-n4c(C(F)F)nc5ccccc54)nc(N4CCOCC4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZZGJMXAGYQAS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(C3=CCOCC3)c3cnn(CC(F)(F)F)c3n2)cc1)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWWIFXXTISLVDZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1nc(Nc2ccc(CC(=O)O)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWDQIHHMMIDKO-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(Nc2ccc(S(=O)(=O)N(C)C)cc2)nc2[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJTOVAZULHDKKE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(NC4CC4)c4nc[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWCNSLIANZOGMA-RMOCHZDMSA-N", "SMILES:C/C=N/Nc1ccc(Nc2nc(NCC)c3nc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNYNAOZFUJULR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(Nc2nc(NC3CC3)c3nc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXORKPNCHJYOF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPXUWQUPWCZIKW-SGRJWZIVSA-N", "SMILES:CC(C)[C@H](NC(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCN[C@@H](C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)C(=O)O)[C@@H](O)C(C)C)[C@@H]1CCNC(=N)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNYCLMECAHSGZ-KNBHMFLWSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](Cn2cc(CCCCCO)nn2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"name": "Phospho-N-acetylmuramoyl-pentapeptide-transferase", "xref": ["CHEMBL.TARGET:CHEMBL1075151"], "id": "UniProtKB:Q03521", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:224308"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKBSYZJTHLMLI-IUKJTPATSA-N", "SMILES:CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC(=O)C[C@@H](C)CC(=O)O[C@@H](CCCCCCCCCCC(C)C)CC(=O)O[C@H]2CN(C)[C@@H]([C@H](O[C@@H]3O[C@H](CN)[C@@H](O)[C@H]3O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)C(=O)N(C)[C@@H]2C(=O)O)[C@@H]1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4469883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVDLVWYEOCAJE-KDHSHZOVSA-N", "SMILES:CCCCc1ccc(NC(=O)C2=CCN(C)[C@@H]([C@H](O[C@@H]3O[C@H](CN)[C@@H](O)[C@H]3O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)C(=O)N2C)cc1"]}
{"name": "Decaprenyl-phosphate N-acetylglucosaminephosphotransferase", "xref": ["CHEMBL.TARGET:CHEMBL5291591"], "id": "UniProtKB:A0R211", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:246196"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URPZACGYRFDPRQ-GXQKTRIHSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2413316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSHAULCJPNNZNY-ZHACJKMWSA-N", "SMILES:CCN(Cc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFOSSAJXBEHDJ-UXBLZVDNSA-N", "SMILES:CC(C)Cc1c(OCCOc2cccc(/C=C/C(=O)NO)c2)ccc2c1OC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBLNQDAYHCHDTN-UHFFFAOYSA-N", "SMILES:OC1(c2ccccc2)C=C(c2ccccc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCXJLKMJMKPJC-ZHACJKMWSA-N", "SMILES:CN(CCc1ccccc1)S(=O)(=O)c1cccc(/C=C/C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNZEWQMINRXML-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOJSHUPVMUJFRE-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(SNCCCCCC(=O)NO)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBAGCBGOEDUECC-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2C=Cc3cc(C(=O)NO)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKMMSJHSBVTPA-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(Oc2cccs2)c(O)c1)Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEDUBEGTPWKDCX-UQCBPKKGSA-N", "SMILES:[11CH3]n1cc(CCNCc2ccc(/C=C/C(=O)NO)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTSOHKYDYDWRP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(-c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)nn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVLBUPXOCBVXFQ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1630109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRIQVCCRXNQUAH-KPKJPENVSA-N", "SMILES:O=C(/C=C/c1cccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKQSNHUWVISSS-VOTSOKGWSA-N", "SMILES:COc1cc2c(Nc3cccc(/C=C/C(=O)NO)c3)ncnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRNZGDFYZRJBM-SNAWJCMRSA-N", "SMILES:O=C(/C=C/c1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIUNUHMKWQWWCG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)COc2cc(C)nc3ccc(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQFDWSYHZBIIOG-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZAGNCYRCKXVTH-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C)cc(OCC(=O)Nc3cc(C)ccc3OC)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYBOYSSLOUJFP-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C)cc(OCC(=O)Nc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2017129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQHKHXCLONFLRD-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2cc(F)cc([N+](=O)[O-])c2O)cc([N+](=O)[O-])c1O)C1CCc2ccccc21"]}
{"name": "Peptidyl-prolyl cis-trans isomerase-like 1", "xref": ["CHEMBL.TARGET:CHEMBL5291529"], "id": "UniProtKB:Q9Y3C6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6367", "category": ["biolink:ChemicalEntity"], "name": "GPI-1046", "xref": ["InChIKey:OQAHHWOPVDDWHD-INIZCTEOSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL333448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCVNASRVVSXHH-NZBPQXDJSA-N", "SMILES:CCOC(=O)CN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL321022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUAMXWZIHXZJC-LOSJGSFVSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAXFSIWSCHLEMR-NSHDSACASA-N", "SMILES:CCOC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL338234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMJPLNFPWMYJE-SFHVURJKSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHKQPFRKBBIWTC-SFHVURJKSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANCOFAQARSQHI-ZEQRLZLVSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCc1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANCOFAQARSQHI-BJKOFHAPSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWNBMKLACCJEGG-INIZCTEOSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NECLHCRBSCDVPV-MRXNPFEDSA-N", "SMILES:CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2006156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBNKREGCQAYWMQ-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZQSTZVLBDALQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)C1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEVSZZZZPLJHX-UHFFFAOYSA-N", "SMILES:Nc1cc(F)cc(-c2ccc(O)c(C(=O)C3CCc4ccccc43)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFJQWPHQKYOFBV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)Nc1ccccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFTUFEGNDHCJDG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZKRSOLMVQTMF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)C1(Cc3ccccc3C1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201207", "category": ["biolink:ChemicalEntity"], "name": "BETAMETHASONE PHOSPHORIC ACID", "xref": ["InChIKey:VQODGRNSFPNSQE-DVTGEIKXSA-N", "SMILES:C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O"], "synonym": ["Betamethasone phosphate", "Betamethasone phosphoric acid"], "chembl_prodrug": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5281156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNIYAHAYYCVFA-LKOMEEOBSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVAUHXUMYENSK-MJSOWUPRSA-N", "SMILES:C=CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)O)c1)c1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXAFMKJFWWBYNW-YKILCQELSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZIPTBEDRCEMW-OLXLYEFTSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2C=CCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZALZJDUQZMQING-QJJAIXLWSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2C=CCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCITTXYQOILPIC-GVBYMILNSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170047", "category": ["biolink:ChemicalEntity"], "name": "INIPARIB", "xref": ["InChIKey:MDOJTZQKHMAPBK-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(I)c([N+](=O)[O-])c1"], "synonym": ["Iniparib", "Iniparib", "Iniparib", "Sar-240550", "BSI-201", "SAR240550", "Iniparib"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2105733", "category": ["biolink:ChemicalEntity"], "name": "RUCAPARIB PHOSPHATE", "xref": ["InChIKey:FCCGJTKEKXUBFZ-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O"], "synonym": ["Ag 014699", "Rucaparib phosphate", "AG-014699", "AG-14699", "AG014699", "PF-01367338", "PF01367338", "Rucaparib phosphate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297461", "category": ["biolink:ChemicalEntity"], "name": "CEP-9722", "xref": ["InChIKey:CTLOSZHDGZLOQE-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]c3c4c(c5c(c3c12)C(=O)N(CN1CCN(C)CC1)C5=O)CCC4"], "synonym": ["Cep 9722", "Cep-9722", "CEP-9722"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTZVLHHIAUKGBP-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCN1CCOCC1)c1ccc2c(c1)Cc1c-2nc(O)c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL124706", "category": ["biolink:ChemicalEntity"], "name": "PHTHALAZINONE", "xref": ["InChIKey:IJAPPYDYQCXOEF-UHFFFAOYSA-N", "SMILES:Oc1nncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTGCPNFDHKZPA-UHFFFAOYSA-N", "SMILES:CC(C)(C)[Si](C)(C)OCCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOFDUAJQRUYHBR-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccc(F)cc4)CC3)nc12"]}
{"name": "Poly [ADP-ribose] polymerase 1", "xref": ["CHEMBL.TARGET:CHEMBL5691"], "id": "UniProtKB:P18493", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOXVEKCRILULMX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2c(=O)[nH]ccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIOYUYMVWPRVGZ-UXMRNZNESA-N", "SMILES:COC(=O)C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSIUCKAFIKWZEX-QFIPXVFZSA-N", "SMILES:O=C(N[C@]1(c2ccc(OC(F)(F)F)cc2)CCOc2cccnc21)c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVUYEIYKRUBIF-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3cccc(F)c3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXGFWTAHDCIQST-UHFFFAOYSA-N", "SMILES:CCCCCCCP(=O)(C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIELGBNKCVPVDD-SAPNQHFASA-N", "SMILES:COc1ccc(/C=C/C(=O)N(C2CCCCC2)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMQCBNEIHWLRV-UHFFFAOYSA-N", "SMILES:CC1OC(=O)C2=C1N1CCc3ccccc3C1CC21SCCS1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL485259", "category": ["biolink:ChemicalEntity"], "name": "EUCALYPTOL", "xref": ["InChIKey:WEEGYLXZBRQIMU-UHFFFAOYSA-N", "SMILES:CC12CCC(CC1)C(C)(C)O2"], "synonym": ["Cineole", "Eucalyptol", "1,8-cineol", "1,8-cineole", "Cajeputol", "Cineole", "Eucaly", "Eucalyptol", "Eucalyptole", "Eucapur", "Eukalyptol", "P-cineole", "Terpan", "FEMA NO. 2465", "NSC-6171", "Eucalyptol", "Eucalyptol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2441929", "category": ["biolink:ChemicalEntity"], "name": "ACOLTREMON", "xref": ["InChIKey:HNSGVPAAXJJOPQ-XOKHGSTOSA-N", "SMILES:COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1"], "synonym": ["Acoltremon", "Acoltremon", "Acoltremon", "AR-15512", "AVX-012", "FEMA NO. 4681", "WS-12", "Acoltremon"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIOPKYZMUVEQS-ULARDTLWSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCC(NC(=O)[C@H](C)N)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGNFLYEOFRBPU-UBTCPHPGSA-N", "SMILES:C=CCc1cc(OC)c(OC(C)C(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccc(OC)c(OC)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUWVQEJVABTVHL-TXCZRRACSA-N", "SMILES:COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(NC(=O)[C@@H](C)N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIVDSKOVPRNBND-AYOQOUSVSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTYTFYRCIRWBL-HYVNUMGLSA-N", "SMILES:COc1ccc2c(c1)n(CCN)c(=O)n2C(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470670", "category": ["biolink:ChemicalEntity"], "name": "LEVOMENTHOL", "xref": ["InChIKey:NOOLISFMXDJSKH-KXUCPTDWSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O"], "synonym": ["Levomenthol", "Levomentol", "L-menthol", "Levomenthol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5286794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJNOLBSYLSYIBM-WISYIIOYSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTWCRSILVRYCS-GRYCIOLGSA-N", "SMILES:CCOC(=O)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVMRLLYLMFZJU-UHFFFAOYSA-N", "SMILES:COc1cnc(-c2ccccn2)nc1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPFQMRVODJKPRD-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nnc(N3CCOCC3)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2436830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKNIKJDHSNKAJ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(C)C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIHSZIXJTORHOL-UHFFFAOYSA-N", "SMILES:Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFDCTJFONNKBK-UHFFFAOYSA-N", "SMILES:Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)N2CCC(C(=O)O)CC2)sc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBOGNZWIXICLR-UHFFFAOYSA-N", "SMILES:Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)CCN2CCC(c3ccccc3)CC2)sc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFFBMZUGZASPFE-IBGZPJMESA-N", "SMILES:CC(C)OP(=O)(OC(C)C)[C@@H](Cc1ccc(F)c(C(F)(F)F)c1)c1sc2ccccc2c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTBRGWEJDYYBX-JDCMOKTRSA-N", "SMILES:CCn1/c(=N/S(=O)(=O)c2ccccc2)n(Cc2ccc(C(F)(F)F)c(F)c2)c2cc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWPAJSNZCTJSU-UHFFFAOYSA-N", "SMILES:CCn1c(N(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMFCZZEKTVDHM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1cc(C(F)(F)F)c2[nH]c(C3=NOC4(CCCCC4)C3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3967426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNRDOOTXFSNPN-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccccc2Cl)cc2nc(-c3c(Cl)c(C(C)(C)C)nn3C)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVPIAAVGAWJNQ-KRVWOSPUSA-N", "SMILES:CCCCC/C=C/C/C=C\\C/C=C/C/C=C/CCCC(=O)NCCc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL375696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGEQQWMQCRIYKG-KRVWOSPUSA-N", "SMILES:CCCCC/C=C/C/C=C\\C/C=C/C/C=C/CCCC(=O)NCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL258502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMBXBGDBBCYII-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1"], "synonym": ["SK&F-96365", "SK-96365"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5274774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXFKWMQQNSTRAS-MVRCMUOWSA-N", "SMILES:C[C@H](N)[C@H](O)C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC[C@@H](O)[C@H](C)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSDNAKHZNJAGHN-VWXVFCJASA-N", "SMILES:C=C(C)[C@]12C[C@@H](C)[C@@]34OC(Cc5ccccc5)(O[C@@H]1C3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSXCKQXJIZWRIX-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCN)c2nc3ccccc3s2)ccc1OCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLKNPAVDRASLS-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2nnn[nH]2)cc1)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc2ccccc2c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJGQFZYYEHCCIZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBRNAKSYSJQNZ-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCN)C(=O)NC(C)c2ccccc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURXROHPCVOMGH-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c2ccc(Oc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCQJRANJHOEQFG-UHFFFAOYSA-N", "SMILES:Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFWJTSZVLJKGAJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C(F)(F)F)n(-c3ccc(C(=O)CN4C(=O)NC5(CCC(F)(F)CC5)C4=O)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNLHFGXIUJNDAF-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHVRTQMRXJDGHQ-UHFFFAOYSA-N", "SMILES:Cn1cc(C2C(=O)NC(=O)C2c2coc3ccccc23)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVANTWLBTIEHSX-UHFFFAOYSA-N", "SMILES:CC(C)=CCCC1(C)C=Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5276321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXSNZMQWIVWOJ-UHFFFAOYSA-N", "SMILES:C1=C(CN2CCOCC2)COc2c1cccc2OCC1COCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1990267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHMZURGWXAWJGC-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(C(N)=O)c(=N)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXMCSAUVAHKCOR-UHFFFAOYSA-N", "SMILES:COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZIOQNBQOTGPK-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1"], "synonym": ["AP-2243"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFAABMDLNHZKGL-UHFFFAOYSA-N", "SMILES:COc1cc2cc(-c3ccc(CN(CCO)Cc4ccccc4)cc3)c(=O)oc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORXOGZMDOMBOV-UHFFFAOYSA-M", "SMILES:COc1cc2cc(-c3ccc(C[N+](C)(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMYRMHAKNNIGHA-UHFFFAOYSA-N", "SMILES:O=C(Oc1cccc(Cl)n1)c1cc2cc(CCl)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHWMJUPMGCKFS-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFPMTYWOIRUZOM-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1964259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFFSHNCRZXJNQ-PTNGSMBKSA-N", "SMILES:O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)NCCOCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1952030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLCCUCULKBLWSV-YFHOEESVSA-N", "SMILES:COc1cc[nH]c1/C=C1\\C(=O)Nc2ccc([N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL354634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAKYKJWUUUKCCW-MPLBGYFPSA-N", "SMILES:COc1cc[nH]c1/C=C1\\C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL355631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCXREGHIRXAHY-PBBNAPBQSA-N", "SMILES:COc1cc[nH]c1/C=C1\\C(=O)Nc2ccc(F)c(C#C[C@@H]3CCCN3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1794059", "category": ["biolink:ChemicalEntity"], "name": "GW275616X", "xref": ["InChIKey:KCVNXJLUFNZAMY-LCYFTJDESA-N", "SMILES:NS(=O)(=O)c1cccc(N/C=C2\\C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDDDUYEUXDRNQ-PTNGSMBKSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/Nc1ccc(-n2nccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTSHKHCXDTXFCS-LCYFTJDESA-N", "SMILES:Cc1cc(CCC(=O)O)c(/C=C2\\C(=O)Nc3ccccc32)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWUXOPMSYAGHL-LCYFTJDESA-N", "SMILES:Cc1ccc(O)c(/C=C2\\C(=O)Nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMIDZRHQUJIHLP-LCYFTJDESA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIVWNWQUUDHRMU-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZSAICRYRMJTF-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIHZVGWIFJTAZ-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVQXGBSKPORAW-UHFFFAOYSA-N", "SMILES:CC1C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTMXGSLXWFFVFT-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL318079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFAPJAYUYRSASC-MFOYZWKCSA-N", "SMILES:CNC(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(OC)cc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSUVJEUFZJPDTK-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCOCC2)oc2c(-c3cccc4sc5ccccc5c34)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULTBPCMFBBBUND-UHFFFAOYSA-N", "SMILES:CC(C)n1nc2ncnc(N)c2c1C1C=c2cc(O)ccc2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJZIZBONPAWIV-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFHOKFVPQCBBK-HEHNFIMWSA-N", "SMILES:O=NC1C=c2cc/c(=c3\\nc(C4CCNCC4)[nH]c3=C3C=CNC=C3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDQHNUZQHJLSJ-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNJFOWDRLKDSF-FULLSBAXSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL14212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNZNIAEANFDMJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUSZMTZUQQFKO-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NCCOc3ccccc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYTKNUOMWLJVNQ-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRBZWFAUTHKRBB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTAVMVCBUOHHE-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(N)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHWNVXLWADDQU-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(N2CCOCC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRPOQYNAPSLFV-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(N2CCC(O)CC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTONTFODLPNDG-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(N2CC(CO)C2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSIQQHYATFPGEC-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(N2CC(C(C)(C)O)C2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWYRIOEHIKPRE-MRXNPFEDSA-N", "SMILES:CC[C@@H](C)n1nc(N2CC(C(C)(C)O)C2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWYRIOEHIKPRE-INIZCTEOSA-N", "SMILES:CC[C@H](C)n1nc(N2CC(C(C)(C)O)C2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGQWOAUHLRBBJE-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(C(C)C)c2cc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNCRTOWCSZYNSA-CJNGLKHVSA-N", "SMILES:Cc1nc2cnc(Nc3ccnc(N4CC[C@H](O)[C@H](F)C4)n3)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3736183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBAMFNDJQOEJFN-PBHICJAKSA-N", "SMILES:CO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIIMEGBHZANHEE-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc(Nc3ccnc(-c4cnn(S(C)(=O)=O)c4)n3)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWVRPHFPYFSDG-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJHXXDFKSEHFN-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc(Nc3ccnc(-c4cnn(CC5CC5)c4)n3)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDEDFXSJTOMMGU-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(N)=O)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQZWJZYHRNIFT-UHFFFAOYSA-N", "SMILES:COC1CCN(c2nccc(Nc3cc4c(cn3)c(C(N)=O)cn4C(C)C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYJYQIBDYRRAPB-UHFFFAOYSA-N", "SMILES:COC1CCN(c2nccc(Nc3cc4c(cn3)c(C(N)=O)nn4C(C)C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKEOBSJWSQXRIH-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)NC2COC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJHWPKSBDIEQGY-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)NC2CCOCC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMFHLBUCTTXCHX-XNIJJKJLSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccccc1)cn2[C@@H]1O[C@H](CNS(=O)(=O)C(F)(F)F)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOKQNZVJJXPUQA-KQYNXXCUSA-O", "SMILES:C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5286550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWWBCTMRCFTUFB-XNIJJKJLSA-O", "SMILES:C[n+]1cn([C@@H]2O[C@H](CNS(=O)(=O)c3ccc(C(=O)O)cc3)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPVNZAVPAZFCW-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVRNHPCAOHRSI-KQYNXXCUSA-O", "SMILES:C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3933538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHVOPPCNVPHDW-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUJQQABENFUSNG-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)NCc3ccc(O)cc3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNHDIWHQGVWLL-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDZFPDPMBCBBKH-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POSHRZHSVRBIPJ-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNHQHGNTNCHJY-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTQBNSBWFIQMB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSYSZUBBMDQLM-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPWMVLOPYTXASB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPEAJSMOFIFRFJ-UHFFFAOYSA-N", "SMILES:COc1ncc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOWAKXRORUSYKE-UHFFFAOYSA-N", "SMILES:Cc1nnc2sc(C(=O)NCc3ccc(O)c(F)c3)c(N)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUJNYIUSSLNNZ-JTQLQIEISA-N", "SMILES:COc1ccc([C@H](C)NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNHDIWHQGVWLL-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])Oc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461903", "category": ["biolink:ChemicalEntity"], "name": "(-)-USNIC ACID", "xref": ["InChIKey:WEYVVCKOOFYHRW-GOSISDBHSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSFLRLHMOKAWJN-UPXASZCJSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(C(=O)/C=C/c4ccc(OC(F)(F)F)cc4)c(O)c(C)c(O)c3[C@]2(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXQPHXOIKZHRPJ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHPYZYXYONXLQJ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)nc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGZDZJWCVDORL-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1noc(-c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNHTNLSRWJCPR-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2cccc(Cl)c2)nnn1Cc1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZJUWFBFPZFQTI-UHFFFAOYSA-N", "SMILES:Nc1c(C(=O)Nc2cccc(F)c2)nnn1Cc1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFXWDAPQKPTLDU-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCXGTQLIBYTIZ-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRHOOSHFHLLGDF-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKMVULRFIQMMNO-UHFFFAOYSA-N", "SMILES:OC(Cn1ccnc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21"]}
{"name": "Plasma membrane ATPase 1", "xref": ["CHEMBL.TARGET:CHEMBL5291521"], "id": "UniProtKB:P05030", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQIMMVBJAICTOC-UHFFFAOYSA-N", "SMILES:OC(CN1CCOCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSBMRJNJIXPFW-UHFFFAOYSA-N", "SMILES:CCC(C)NCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKHEAULOASSHP-UHFFFAOYSA-N", "SMILES:OC(Cn1cncn1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMXXDXFHOVSEF-UHFFFAOYSA-N", "SMILES:OC(CN1CCCCCC1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQSEATZXKQYEI-UHFFFAOYSA-N", "SMILES:CC(C)CCOCC(O)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMCMEHFMCUZWDJ-UHFFFAOYSA-N", "SMILES:Oc1ccccc1Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXMFEHUNDKFMOF-UHFFFAOYSA-N", "SMILES:OC(CN1CCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTBVCMZNJBUSFU-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBHURAPQNQKUFG-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUTWVPGTNSWMN-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2ccc(Cl)cc2c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGPMHWBPBTWBJ-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c2ccc(Cl)cc2c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHSLNZNYPXAQPS-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEWQXPSQVCRCB-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCCn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGZTFGFDMPKQI-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)c1cc(Cl)ccc1n2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXEVXQUJSINAEF-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)c1cc(Cl)ccc1n2CCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQJQHHXUJDRCSN-HBSVTOSBSA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](OCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/c4ccc(F)cc4Cl)C(N)=O)C(=O)O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMDKGABGPBZBQT-QUFZNYFDSA-N", "SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/c4ccc(F)cc4Cl)C(N)=O)C(=O)O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"]}
{"name": "Nucleotide-binding oligomerization domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5291544"], "id": "UniProtKB:Q8BHB0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXCVAFDQNPRXSY-PEVIRZATSA-N", "SMILES:COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)Nc3ccccc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1551302", "category": ["biolink:ChemicalEntity"], "name": "BAVACHININ A", "xref": ["InChIKey:VOCGSQHKPZSIKB-FQEVSTJZSA-N", "SMILES:COc1cc2c(cc1CC=C(C)C)C(=O)C[C@@H](c1ccc(O)cc1)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3634645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTBKSTUWGAYSX-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICSYRRPMGFFPSY-UHFFFAOYSA-N", "SMILES:CN(C)Cc1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZLKJPRPEJQHPN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3ccc(OCCN4CCC(C)CC4)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQCLUQNACGFMJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3ccc(OCCN4CCN(CCO)CC4)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXGABLVKANFJCV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3ccc(OCCN4CCOCC4)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDCMDGLXHFWWIA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1ccc2c(=O)cc(-c3ccc(OC)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIVOUTDXRQRWCT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3ccc(OCCN4CCCC4)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRGBLPQQHOOJIK-UHFFFAOYSA-N", "SMILES:CCC(=O)CNC(=O)Nc1nc2ccc(-c3oc4c(OC)c(O)c(O)c(OC)c4c(=O)c3O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDKUCUMRUCHGZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QESLWZFHJYKHOG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHOQDYOXKNLHE-CAPFRKAQSA-N", "SMILES:COc1ccc(/C=C2\\COc3cc(OCCCN4CCCCC4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZFSYSIHBTKLG-UHFFFAOYSA-N", "SMILES:COc1cc2oc3cccc(O)c3c(=O)c2c(O)c1CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENIBYVETVNODM-GHTZIAJQSA-N", "SMILES:Cc1ccc(NCC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DALMBCBRULLIPO-GHTZIAJQSA-N", "SMILES:Cc1ccc(NCC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOMUHHCFAXYRPO-DGHBBABESA-N", "SMILES:COc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL363747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQIGECASJMDDMD-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL446246", "category": ["biolink:ChemicalEntity"], "name": "NARIRUTIN", "xref": ["InChIKey:HXTFHSYLYXVTHC-AJHDJQPGSA-N", "SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5289680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINGXVKNVVSNED-RELWKKBWSA-N", "SMILES:COc1ccc(/C=C2\\COc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWQMIASKBSCBFN-XDJHFCHBSA-N", "SMILES:COc1ccc(/C=C2\\COc3cc(OCCN4CCCCC4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL462879", "category": ["biolink:ChemicalEntity"], "name": "GARCINONE D", "xref": ["InChIKey:TYALNCRUIKOKGP-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPPUZWHATVFVHO-UHFFFAOYSA-N", "SMILES:CCN1CCc2c(c3cc(C)ccc3n2-c2c(C(F)(F)F)nc3ccccn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDYTQBWGHNUMT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1c(n2CCC(=O)N(C)c2c(C(F)(F)F)nc3cc(C)ccn23)CCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVLXBBVHBRIJD-UHFFFAOYSA-N", "SMILES:CCN1CCc2c(c3ccccc3n2CCC(=O)N2c3ccccc3Sc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPVYJBBRGPPKK-UHFFFAOYSA-N", "SMILES:CCN1CCc2c(c3cc(F)ccc3n2CCC(=O)N2c3ccccc3Sc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYEGLWXFKBBXHP-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)c1c(n2CCC(=O)N2c3ccccc3Sc3ccccc32)CCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUGZOJLSYFOGA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1c(n2CC(O)CN2c3ccccc3Sc3ccccc32)CCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPUCHIIJICYRBC-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c3ccccc3n2CC(O)Cn2c3c(c4ccccc42)CCCC3)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLDAQKWWBFGEIZ-UHFFFAOYSA-N", "SMILES:CCN1CCc2c(c3ccccc3n2CC(O)Cn2c3c(c4ccccc42)CCCC3)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYBUBXLSJAEJCS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1c(n2CC(O)Cn2c3c(c4ccccc42)CCCC3)CCN(C)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJTREBKOIDTYLT-UHFFFAOYSA-N", "SMILES:CCN1CCc2c(c3cc(C)ccc3n2CC(O)Cn2c3c(c4ccccc42)CCCC3)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEVMUDJQKHKMCG-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c3cc(F)ccc3n2CC(O)Cn2c3c(c4ccccc42)CCCC3)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWMLJSNCBKSEIK-UHFFFAOYSA-N", "SMILES:CCN1CCc2c(c3cc(F)ccc3n2CC(O)Cn2c3c(c4ccccc42)CCCC3)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUITCZDHHCZJE-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c3ccccc3n2Cc2ccccc2C(=O)NCCO[N+](=O)[O-])C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXGLQQGNMQRHCK-IZZDOVSWSA-N", "SMILES:COc1cc(/C=C2\\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABANLXYNSSVWDG-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Nc2nnc(-c3ccncc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COIYMKKJMXPSMK-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc3cc(O)ccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFBABFNEAVJKG-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc3c([N+](=O)[O-])c(O)ccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAWUVVKQRJHKOZ-UHFFFAOYSA-N", "SMILES:NCn1c(-c2nonc2N)nc2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZLHVKLXPFHWBX-XFFZJAGNSA-N", "SMILES:CCOc1cc(/C=C2\\SC(=S)NC2=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYPINDWRCWPXLY-UHFFFAOYSA-N", "SMILES:COc1ccc2c3ccnc(Cl)c3n(CC=N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUVYBWISAUDSE-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(c1)OC1c3cc(OC)c(O)cc3COC1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370100", "category": ["biolink:ChemicalEntity"], "name": "REBECCAMYCIN", "xref": ["InChIKey:QEHOIJJIZXRMAN-QZQSLCQPSA-N", "SMILES:CO[C@H]1[C@H](O)[C@@H](O)[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4=O)O[C@@H]1CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZIYWFFLHNNYCO-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2c3c1-c1ccccc1CC3NC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL36654", "category": ["biolink:ChemicalEntity"], "name": "ROEMERINE", "xref": ["InChIKey:JCTYWRARKVGOBK-UHFFFAOYSA-N", "SMILES:CN1CCc2cc3c(c4c2C1Cc1ccccc1-4)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCNFDYZBLFXEC-UHFFFAOYSA-N", "SMILES:COc1c2c(cc3c1-c1c4c(cc5c1C(C3)NCC5)OCO4)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCSTWHOCFCLOMD-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1C(=O)C3NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEAAEGXRFPBRNW-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)C(O)c1cc(O)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBPREXLEPSERZ-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)oc1c3ccccc3c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBURQCCRHSROQ-UHFFFAOYSA-N", "SMILES:NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(CC(N)=O)nc3[nH]c2=O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFJWEHXWXYXYCK-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=O)cc(CCl)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHBRHBMEDWDNF-XIVIVISLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL384120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQQUILZPDYJDQJ-KGDQSQJYSA-N", "SMILES:Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5276399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCENDWPOQZUYQM-UHFFFAOYSA-N", "SMILES:COc1cc(OC(C)=O)cc2c1OC(C)(CCC1=C(C)CCCC1(C)C)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZABFGDYTNLMKSZ-CRKOEVGVSA-N", "SMILES:COc1cc(OC(C)=O)c(-c2c(OC(C)=O)cc(OC)c3c2C=C[C@@](C)(CCC2=C(C)CCCC2(C)C)O3)c2c1O[C@](C)(CCC1=C(C)CCCC1(C)C)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZABFGDYTNLMKSZ-WPVYDPPMSA-N", "SMILES:COc1cc(OC(C)=O)c(-c2c(OC(C)=O)cc(OC)c3c2C=C[C@](C)(CCC2=C(C)CCCC2(C)C)O3)c2c1O[C@](C)(CCC1=C(C)CCCC1(C)C)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQFHENATOANHFY-PIYFIQLCSA-N", "SMILES:COc1cc(O)c(-c2c(O)cc(OC)c3c2C=C[C@](C)(CCC2=C(C)CCCC2(C)C)O3)c2c1O[C@](C)(CCC1=C(C)CCCC1(C)C)C=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHBOWVZTONSXMQ-NLMMERCGSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(NC(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLDMWOGBDDVMA-AJIIGFCHSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOAVEBXFCSEKAP-NLMMERCGSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(NC(=O)CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCVXZOOPDYIXHB-SQQOACJHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYZQEAPEXHPCH-NEOPOEGOSA-N", "SMILES:CCNCC(=O)Nc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQQBJARIYQXMNP-SQQOACJHSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(NC(=O)CNC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZQBWPRQNCDXHV-WLFLHNBRSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(NC(=O)CN[C@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXMORPUQZOMONG-NEOPOEGOSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(NC(=O)CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSTYGKMEATZKN-QOJCGITLSA-N", "SMILES:CCN(CC)CC(=O)Nc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMFIISLXRCBSPO-BAUSPJNCSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMFIISLXRCBSPO-VIEXPPAXSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKBMVVTDCJRMX-MPJPHXCBSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(NC(=O)[C@@H](N)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRWABDRDCBITA-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(C(=O)C2CN(C(=O)CCCCCCCCC=C)S2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3392845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCAWRGNYALGPQH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPJDKCMFIPBAW-JPBGFCRCSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGDFZXDFZMAZSX-RTWAWAEBSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIIBXWXZJYUTGC-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnnn1-c1ccccc1)Nc1nccs1"]}
{"name": "Succinyl-diaminopimelate desuccinylase", "xref": ["CHEMBL.TARGET:CHEMBL1075192"], "id": "UniProtKB:P44514", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:71421"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITDIQIMSYJPPDA-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnnn1-c1ccccc1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNKRHZDXVDIRS-UHFFFAOYSA-N", "SMILES:CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1469806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTTFMZCSMQVOKG-UHFFFAOYSA-N", "SMILES:CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1427222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBCIOVZZCDKTCB-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNIRYAFVBXERQD-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnnn1-c1ccccc1)Nc1ccon1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUGFIPIJDORNQR-SAPHVIBXSA-N", "SMILES:CC(=O)O[C@@H]1C[C@H](O)[C@@]23COC(=O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGSRZDYSTQXUQL-HNNXBMFYSA-N", "SMILES:COC1=C(c2cc(Br)c(O)c(Br)c2)[C@H](Cc2ccc(OC)c(Br)c2)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4560675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGJHCSHONAROX-AWEZNQCLSA-N", "SMILES:COC1=C(c2cc(Br)c(O)c(Br)c2)[C@H](Cc2cc(Br)c(OC)c(Br)c2)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5278389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAXDHIXQIAUSBC-GOSISDBHSA-N", "SMILES:COc1ccc(C[C@@]2(O)OC(=O)C=C2c2cc(Br)c(O)c(Br)c2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUBVXSGRPWZEAH-ZDUSSCGKSA-N", "SMILES:COc1ccc(C[C@H](O)C(=O)c2cc(Br)c(O)c(Br)c2)cc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXQXLLOJHNCSIJ-YJBOKZPZSA-N", "SMILES:COC(=O)[C@](O)(c1cc(Br)c(O)c(Br)c1)[C@@H](O)Cc1ccc(OC)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMGNVLPKMYKTO-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(N)=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSDKXMYZTQZSIA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(Cc2cccc(OC)c2)OC(=O)C(O)=C1c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYODMDNCVHHRSS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(Cc2ccc(OC)cc2)OC(=O)C(O)=C1c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZRZSAURPRLBBB-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(Cc2ccccc2)OC(=O)C(O)=C1c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCDXOUFXIAXRW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(Cc2ccc(OC)cc2)OC(=O)C(O)=C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGAZATBCWQPKGM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(Cc2ccc(Cl)cc2)OC(=O)C(O)=C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQDGHSEWFJWJQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(Cc2ccc(C)cc2)OC(=O)C(O)=C1c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSXNLUALPVGEZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(Cc2ccccc2)OC(=O)C(O)=C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCQAXJHMCYUZJK-UHFFFAOYSA-N", "SMILES:CCCC(C)CC1(C(=O)OCC)OC(=O)C(O)=C1c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAUMQOWVCNOPGB-INIZCTEOSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAUMQOWVCNOPGB-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXXGBNTOVDDPJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OCC2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQDBZMGCZKRNS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOLPVUVQHPPDEG-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC[C@@H]2CCCN2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOLPVUVQHPPDEG-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC[C@H]2CCCN2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXXRDJWLGBGUPK-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@@H](C)CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXXRDJWLGBGUPK-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@H](C)CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCBRCFAAIJRIZ-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@H]2CCN(C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCBRCFAAIJRIZ-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@@H]2CCN(C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLJDEHXEQVMMM-IBGZPJMESA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@@H](C)CCCCCC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLJDEHXEQVMMM-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@H](C)CCCCCC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSHWXJJPIBMSGB-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@@H](C)CC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYSVGLDKMEZLH-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2O[C@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRRKBDEYDGPAQ-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)cc4F)ncnc3cc2O[C@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPWOTAJJWOAKN-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGAZVNRIQTXAGC-INIZCTEOSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(F)c4F)ncnc3cc2O[C@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVUSMHRGNDTRY-QFIPXVFZSA-N", "SMILES:C#Cc1cccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(OC4CCN(C(=O)C=C)CC4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPIAMBUZNNACW-NRFANRHFSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(C#N)c4)ncnc3cc2O[C@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQVFJCPIKCGHNF-DEOSSOPVSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(OCc5ccccn5)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZFQTHHXRRYGDQ-VWLOTQADSA-N", "SMILES:C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPJUTBUULNVFG-SEJWUHKESA-N", "SMILES:O=C(/C=C/C(F)(F)F)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPJUTBUULNVFG-LERPRCHQSA-N", "SMILES:O=C(/C=C/C(F)(F)F)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADWXQBWYLGYCTA-RTLBZRNLSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADWXQBWYLGYCTA-GNAXCBTBSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@@H]2CCOC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVAGVYBLBLALA-WJPUGNRLSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(c1ccccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJBCSRRJWSRKPA-ZJBJCVSYSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(c1ncccc1C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUKJTBOSFXXKS-ZJBJCVSYSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(c1cccc(C)n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJJGDBSIZYWGG-VPKVUBIPSA-N", "SMILES:COc1ccnc(N2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c(OC)ccc(c34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNCNCRMFNAKOJ-VPKVUBIPSA-N", "SMILES:COc1cccnc1N1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OC)ccc(c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEEIHIKCADXXRM-ABYGYWHVSA-N", "SMILES:O=C(O)C1(CN2C[C@H](CN3CCC(CCC(F)(F)c4ccc(F)cc4)CC3)[C@@H](c3cccc(F)c3)C2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHGRWWVJXFDPA-LBNVMWSVSA-N", "SMILES:O=C(O)C1(CN2C[C@H](CN3CCC(CCC(F)(F)c4cccnc4)CC3)[C@@H](c3cccc(F)c3)C2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDLWSXUIHEYSW-LBNVMWSVSA-N", "SMILES:CCc1c(C)nn(CC)c1C1CCN(C[C@H]2CN(CC3(C(=O)O)CCCC3)C[C@@H]2c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCHYTAFAXFIAW-LBNVMWSVSA-N", "SMILES:CCc1nn(CC)c(C2CCN(C[C@H]3CN(CC4(C(=O)O)CCCC4)C[C@@H]3c3cccc(F)c3)CC2)c1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFUPKQPJUZVBAR-NBYLYTAOSA-N", "SMILES:CCc1nn(CC)c(C2CCN(C[C@H]3CN(CC4(C(=O)O)CC5CC5C4)C[C@@H]3c3cccc(F)c3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQVOPGMYSEUJU-IGYGKHONSA-N", "SMILES:C=C(O)C1(CN2C[C@H](CN3CCC(c4c(C)c(C5CCC5)nn4CC)CC3)[C@@H](c3cccc(F)c3)C2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKEBKNACNZGXTO-XDFJSJKPSA-N", "SMILES:C=C(O)C1(CN2C[C@H](CN3CCC(c4cc(Cc5ccccc5)nn4CC)CC3)[C@@H](c3cnn(C)c3)C2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVEPYGFFPWSZBF-LITSAYRRSA-N", "SMILES:C=C(O)C1(CN2C[C@H](CN3CCC(c4cc(CC)nn4CC)CC3)[C@@H](c3cccc(F)c3)C2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUCJMSCZIDGFI-YTMVLYRLSA-N", "SMILES:CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(CC3(C(=O)O)CCCC3)C[C@@H]2c2ccn(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKOGHFJANIVKE-LMSSTIIKSA-N", "SMILES:CCc1c(C2CCN(C[C@H]3CN(CC4(C(=O)O)CCCC4)C[C@@H]3c3cccc(F)c3)CC2)c(C)nn1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFJJAROYFMIIN-HKELVWSBSA-N", "SMILES:CCc1nn(CC2CC2)c(C)c1C1CCN(C[C@H]2CN(CC3(C(=O)O)CC4CC4C3)C[C@@H]2c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKQJNLZIDCAED-KXJHXITOSA-N", "SMILES:Cc1nn2c(c1C1CCN(C[C@H]3CN(CC4(C(=O)O)CC5CC5C4)C[C@@H]3c3cc(F)cc(F)c3)CC1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSDIXMZHFZVGK-JYFHCDHNSA-N", "SMILES:Cc1nn2c(c1C1CCN(C[C@H]3CN(CC4(C(=O)O)CCCC4)C[C@@H]3c3cc(F)cc(F)c3)CC1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SALJIDJCMVZSQF-AZGAKELHSA-N", "SMILES:CCc1nn(CC)c(C)c1C1CCN(C[C@H]2CN(CC3(C(=O)O)CCC3)C[C@@H]2c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLKKIAYYHXNZIY-ABYGYWHVSA-N", "SMILES:O=C(O)C1(CN2C[C@H](CN3CCC(CCS(=O)(=O)c4ccc(F)cc4)CC3)[C@@H](c3cccc(F)c3)C2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYJXQZJUSXYZPO-OZFQHSNDSA-N", "SMILES:C[C@H](N)C(=O)[C@H]1CC(CCCB(O)O)[C@@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIQOYAGLFTDJC-IGKNDFSCSA-N", "SMILES:OC[C@H]1O[C@@H](Cc2cc(-c3c[nH]c4ccccc34)on2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGAZVZZWKGGKOY-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3[nH]cnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJAFHMKZIFOPA-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGYTZLCMKMZKDJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMHHIWJCCQYPU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3cccc(F)c3)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APYPVBDMPHIBGW-UHFFFAOYSA-N", "SMILES:CCn1ncc2cc(-c3nc(NCc4cccc(F)c4)[nH]c3-c3cccc(C)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYSBKWOXOBQNB-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3cccc(F)c3)nc2-c2ccc3c(cnn3C(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRFTXYMTALLJPX-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKKUIAFDRAHXRK-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccc(F)cc3)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKYUZVDXVLAZTP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3cccc(C#N)c3)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWPVDDUMUELBN-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccc(F)c(F)c3)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCJSICXYDKNPP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccc(F)c(F)c3F)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZIAXZUSGLVEOA-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccc(Cl)c(F)c3)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQQRFOVUWGGAU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccc(Cl)cc3F)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMWEQPKMVSJNW-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccc(Cl)c(Cl)c3)nc2-c2ccc3c(cnn3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMHHIWJCCQYPU-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2cc(-c3nc(NCc4cccc(F)c4)[nH]c3-c3cccc(C)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYPRBWCBMLVGA-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3[nH]nc(F)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIFBKSHPYYNMY-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3[nH]nc(Cl)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXJFJEDHOJMHJX-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3[nH]nc([N+](=O)[O-])c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSWGLSNHBMYPW-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3[nH]nc(C)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPNHLBHEBHRGJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccc(F)c(F)c3)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZPOIQZUDFAZMU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccc(F)cc3F)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBHBQMJZIBEBQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3cccc(Cl)c3F)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXWMKOAMGUIHEX-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3cccc(F)c3)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJAUZFKPCNJCLQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccc(Cl)c(Cl)c3)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKOAFYHBBPGJY-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3ccc(Cl)cc3F)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFCNMKMMYJYENY-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3cccc(F)c3F)nc2-c2ccc3[nH]ncc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAOLRFKJTAEDTE-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(NCc3cccc(F)c3)nc2-c2ccc3c(cnn3S(C)(=O)=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPLUXNGUOLQOK-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc(C(=O)O)c1C(=O)c1c(O)cc(CO)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKXJLNWPIOVEM-ZTATXHNCSA-N", "SMILES:COC(=O)c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCPTKOUJPZCLQ-ULGTYECXSA-N", "SMILES:COC(=O)c1cc(O[C@@H]2O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJIWQUIOAQHSF-IJLXDYNCSA-N", "SMILES:COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSGQPLWRQKZZEB-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(Sc2c(O)cc(OC)c(C(=O)c3c(O)cc(C)cc3O)c2C(=O)OC)c(O)cc(OC)c1C(=O)c1c(O)cccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCTFHZRZHKRHJA-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(O)cc(C)c(Sc2c(O)cc(OC)c(Oc3c(O)cc(C)cc3O)c2O)c1C(=O)c1c(O)cc(C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGRUIBFNJWHIEI-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(O)cc(C)cc1C(=O)c1cc(O)cc2oc3cc4c(c(O)c3c12)C(=O)c1c(O)cc(C)cc1C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMWBYGOXXQALD-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(C(=O)c2c(O)cc3c(c2O)C(=O)c2c(O)cc(C)cc2C3=O)c(C(=O)c2cc(O)c(O)cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL305195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZSEUPGUDIELE-HTAPYJJXSA-N", "SMILES:C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545350", "category": ["biolink:ChemicalEntity"], "name": "EVT-101 FREE BASE", "xref": ["InChIKey:BOVUHBFXPNLTKF-UHFFFAOYSA-N", "SMILES:Cc1nccn1Cc1cc(-c2ccc(F)c(C(F)F)c2)cnn1"], "synonym": ["Evt-101 free base"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBNRTPYUXRDAO-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(Nc2cccc(F)c2)[nH]c2cc(Cl)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLUESHKWPUEQM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(Cc3c(F)cc(-c4ccc(OS(=O)(=O)F)cc4)cc3F)o2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZAUVSSEJPLUTE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(Cc3c(F)cc(-c4ccc(C5CO5)cc4)cc3F)o2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPIOBZUZDMRLD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(Cc3c(F)cc(-c4ccccc4)cc3F)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWKZHZXYKMURW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(Cc3c(F)cc(-c4ccc(C#N)cc4)cc3F)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUCXWYMRLUWZGY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(F)c(Cc3cnc(Nc4ccc(C#N)c(Cl)c4)o3)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLUKQRZIUERPF-UHFFFAOYSA-N", "SMILES:C=Cc1ccc(-c2cc(F)c(Cc3cnc(Nc4ccc(C#N)c(Cl)c4)o3)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPENODYKBSCKDY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(Cc3c(F)cc(-c4ccc(O)cc4)cc3F)o2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODRDTKMYQDXVGG-UHFFFAOYSA-N", "SMILES:COc1cccc2ccc(=O)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL496547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKVCJIMMVPXDQD-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=O)ccc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL502746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFXTIBDEAZMAH-UHFFFAOYSA-N", "SMILES:COc1cccc2oc(=O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5289073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFITGVIMAVRMA-UHFFFAOYSA-N", "SMILES:C#CCOc1cccc2oc(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGUAPWLBSTNAB-UHFFFAOYSA-N", "SMILES:C=CCOc1cccc2oc(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWBMDFBDRYODFS-UHFFFAOYSA-N", "SMILES:CCCOc1cccc2oc(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDBQHYNDBEIKY-UHFFFAOYSA-N", "SMILES:CCOc1cccc2oc(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFQSPGMUPDLML-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(N4CCOCC4)c([N+](=O)[O-])cc(c23)C(=O)N1CCNCCN1C(=O)c2cccc3c(N4CCOCC4)c([N+](=O)[O-])cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YICITURDSUXCOR-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3c(N4CCOCC4)c([N+](=O)[O-])cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZCYXEQQWUBDOV-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(OCCN4CCCC4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEQMSXTKAJTLH-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTORIBQKIUKJLN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Sc3c(-c4ccccc4)c4cc(Br)ccc4[nH]c3=O)n2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCYNVPNGFPWNHB-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGZTOYQSGYVRV-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(-c3ccccc3)cc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUINEUSEISTICJ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMIHBMMTABWXEN-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3cccc(Br)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCOJWPKNKDXSEA-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3cccc(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQYQCNEQRTKFO-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCC3CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIMZZRBWSDGFZ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(N3CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVPJVBGWLVEGOY-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNc1cc(=O)[nH]c2ccc(-c3c(C)noc3C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKWIDJDPCGKCEW-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3Br)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLSFHNBGYXITTM-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3Cl)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPDCLIIMOYEBV-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2cc(=O)[nH]c3ccc(-c4c(C)noc4C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFDKVZYCYUMJG-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEDKLKCPHPSQBE-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCCc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYARFQMJQWLADP-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFDXIQOMIIYPIW-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3cc(Cl)cc(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNALIBHTFIRPB-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(N3CCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWBJOYHKGSEPD-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3cccc(C(F)(F)F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBPUBOCBYCHQV-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(N3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOYMQUKZVXEGIY-ACXKHFGCSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCOCCOCCOCCC(=O)Nc4cc5c(Nc6ccc(F)c(Cl)c6)ncnc5cc4O[C@H]4CCOC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWGYRNPNTWFNRK-LHSYUTFLSA-N", "SMILES:O=C(CCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C1=O)C2=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCIYQIQJCLCBK-GYKKGXIBSA-N", "SMILES:Cn1c(CN2C(=O)CCC(N3C(=O)c4cccc(OCCOCCOCCOCCC(=O)Nc5cc6c(Nc7ccc(F)c(Cl)c7)ncnc6cc5O[C@H]5CCOC5)c4C3=O)C2=O)cnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYXVPVBGMNEHU-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCC3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEGCSLRPQNBQKH-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIMCMTBZGQGAEI-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTACIRGJKNAEZ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(N3CCCCCC3=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSEBNXVXMIVBOQ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENSHYZWBYLRLX-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STEDAGVJXJYSHL-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADPYKSLQPAASEF-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(N3CCCCC3=O)c(Cl)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECFFIAOKCZDGO-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGXVGSHMFIOASG-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARDNFBNQCTKJB-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C3CCCNC3=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISZUIXXWPIZSBZ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(-n3ccccc3=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZOQOOYFSLHXGO-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2cccc(-n3ccccc3=O)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOOQJDKXRDLRTB-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(-c3cccc(=O)[nH]3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMPPZYWDKSHEG-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(-c3ccc(F)c(=O)[nH]3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKVTWPITXACVMU-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSWCNRANFORJC-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNVUPTWLCPAJAP-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(-c3cccnc3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNGVEQYOCEYBH-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBUXEJHVWPRAC-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(-c3ncn(CC)n3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKJLHSUFJRYTMJ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(-c3ncn(C4CC4)n3)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKLECQCTZESQX-UHFFFAOYSA-N", "SMILES:COc1cc(CC2CCCC(c3ccccc3O)N2)c(OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKLECQCTZESQX-SJLPKXTDSA-N", "SMILES:COc1cc(C[C@H]2CCC[C@H](c3ccccc3O)N2)c(OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKLECQCTZESQX-WMZOPIPTSA-N", "SMILES:COc1cc(C[C@@H]2CCC[C@@H](c3ccccc3O)N2)c(OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQZXHDLUBADMM-UHFFFAOYSA-N", "SMILES:CSc1c(C#N)c(=O)c2ccc(F)cc2n1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPUHGDZPGJDUJN-QXNWPYRLSA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHDSCFXREHSHAM-IZZDOVSWSA-N", "SMILES:O=C(/C=C/c1ccccc1)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXVMXBOWAXSRMN-NSCUHMNNSA-N", "SMILES:C/C=C/C(=O)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKJCJPOFGIQHC-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1ccccn1)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSOFCDRCUOJXMX-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1ccco1)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABWOLPFGYAASC-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1cccs1)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIUPJLKPHUSBX-UHFFFAOYSA-N", "SMILES:O=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKBLISMXIIEYJW-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSABZAUCRGTZGL-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQOQNZBJPFWFOC-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUCWNKXKSLWZIK-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NCc1nc(-c2cccc(C(F)(F)F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYXWVPDZVJRNPH-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NCc1nc(-c2ccccc2C(F)(F)F)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYZXMSKAGFYULU-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NCc1nc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTBNKZYDTKNQFA-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NCc1nc(-c2cccc(C)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IINVNSHMTBHTQU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2noc(CNC(=O)C3C(C)=C3c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQIGYFYBVHMEM-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NCc1nc(-c2cccc(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZOOQUZEVFINNW-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NCc1nc(-c2cccc(Cl)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFNMJXKAUPAKK-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRUKOABKCIIPDI-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NCc1nc(-c2cccc(OC(F)(F)F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKPNFMRNGXUPH-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NC(C)c1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYANAXWPSYADRZ-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NC(CC1CC1)c1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIGFJQAUZKEBQ-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NC(CC1CCCCC1)c1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGGBWZMNNUNKSN-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NC(Cc1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WATURWXLRXTLBM-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NC(Cc1ccc2ccccc2c1)c1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFVMFVGFBJXTMF-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NC(Cc1cc2ccccc2[nH]1)c1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKRFXUUNBJACS-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NC(Cc1ccccc1F)c1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDSBNHTEALRAA-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NC(Cc1cccc(F)c1)c1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTQKGNRFXNKEJ-UHFFFAOYSA-N", "SMILES:CC1=C(c2ccccc2)C1C(=O)NC(Cc1ccc(F)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1160030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTFZXNJFEIZTJR-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)c1ccc2cc(Nc3ccccc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTRBOZNMGVDGHY-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccc3cc(S(=O)(=O)O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL398231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBYQPEKNMQWJQO-UHFFFAOYSA-N", "SMILES:O=S(=O)(O)c1cccc2c(-c3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)ccc(Nc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOAHRDOCGJWELW-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccc(-c3ccc(Nc4ccc(C)cc4)c4c(S(=O)(=O)O)cccc34)c3cccc(S(=O)(=O)O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSMEUCCCMLOHJ-UHFFFAOYSA-M", "SMILES:CCN(CC)c1ccc2c(c1)S/C(=C\\c1sc3ccccc3[n+]1C)N2CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTLNXKQFLESBT-NGHABTCZSA-M", "SMILES:CCC(/C=C1\\SC(/C=C\\C/C=C/c2ccccc2)=CN1CC)=C\\c1sc2ccc(C)cc2[n+]1CC.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEQDQXSGEXASFB-UHFFFAOYSA-M", "SMILES:C[n+]1c(/C=C/c2ccc(N3CCCCC3)cc2)sc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGSPVKMMPCXPN-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGUOVMBEFIGHW-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(B4OCC(C)(C)CO4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSDKOPMEZMBWQB-BDWKERMESA-N", "SMILES:CN(C)c1ccc2nc(/C=C/C=C/C=C(C#N)C#N)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTATLYLPXCORI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)sc(-c1ccc(N3CCOCC3)cc1)[n+]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYEWCXPNMLEVAV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGTIDIIPLYVHKG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)sc(-c1ccc(N3CCCCCCC3)cc1)[n+]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOUPYJPESVTJW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)sc(-c1ccc(N3CCCCCC3)cc1)[n+]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDQWQZDCZLYCB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)sc(-c1ccc(N3CCCC3)cc1)[n+]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCNWELWZBYQQKQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)sc(-c1ccc(N3CCCCC3)cc1)[n+]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDALAOPMAJFSV-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(N4CCCC4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUQXTPXMUAUUKZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(N4CCOCC4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOSKQIGLWUFDPM-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(N4CCCCCCC4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFIKJKJPDPHTI-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(N(C)C)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVXNALMLRTHGI-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(N4CCCCCC4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHUVXXNZHZDITM-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccc(N4CCCCC4)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISAMJCNZWLOIAB-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2oc3cc(N(C)CCN4C(=O)C=CC4=O)ccc3c(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRNWXITHPSGKJ-MRZVYCLCSA-N", "SMILES:COc1ccc(/C=C/C=C2\\Oc3ccc(-c4ccc(OC)nc4)cc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEWKTGSAJQDAP-UHFFFAOYSA-M", "SMILES:CCN1C(=C/C=C/c2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTAZANKSCKXKIU-CZONAQFWSA-L", "SMILES:[Br-].[Br-].c1ccc(/C(=C(/c2ccccc2)c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJLLWZWJVTQOI-UHFFFAOYSA-N", "SMILES:OCCOC(=C\\C=C1N(c2ccccc2)c2cc3ccccc3cc2N1c1ccccc1)/C=C/c1n(-c2ccccc2)c2cc3ccccc3cc2[n+]1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXKOLVMMERFQOL-UHFFFAOYSA-N", "SMILES:COc1cc(C2Nc3ccccc3C(=O)N2Nc2ccccc2)ccc1OCc1cn(CC(=O)NCc2ccc(C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXWODGDNLKPRG-UHFFFAOYSA-N", "SMILES:COc1cc(C2Nc3ccccc3C(=O)N2Nc2ccccc2)ccc1OCc1cn(CC(=O)NCc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVZXKUXGHPDZTB-UHFFFAOYSA-N", "SMILES:COc1cc(C2Nc3ccccc3C(=O)N2Nc2ccccc2)ccc1OCc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOTXVOCTKFKRF-UHFFFAOYSA-N", "SMILES:COc1cc(C2Nc3ccccc3C(=O)N2Nc2ccccc2)ccc1OCc1cn(CC(=O)Nc2ccc(Br)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNCOWNWZGRXQB-UHFFFAOYSA-N", "SMILES:COc1cc(C2Nc3ccccc3C(=O)N2Nc2ccccc2)ccc1OCc1cn(CC(=O)Nc2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRAMYMMHIQNDK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cn2cc(COc3ccc(C4Nc5ccccc5C(=O)N4Nc4ccccc4)cc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWLSCZQVCOBMGI-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)Cn2cc(COc3ccc(C4Nc5ccccc5C(=O)N4Nc4ccccc4)cc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGEKHKDDWWDOHF-UHFFFAOYSA-N", "SMILES:COc1cc(C2Nc3ccccc3C(=O)N2Nc2ccccc2)ccc1OCc1cn(CC(=O)Nc2ccc(C)cc2C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVLRNIIQPJYKA-UHFFFAOYSA-N", "SMILES:COc1cc(C2Nc3ccccc3C(=O)N2Nc2ccccc2)ccc1OCc1cn(CC(=O)Nc2ccc(C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBNQUOHEHYUAFA-UHFFFAOYSA-N", "SMILES:COc1cc(C2Nc3ccccc3C(=O)N2Nc2ccccc2)ccc1OCc1cn(CC(=O)Nc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLYVYNZHEMZTMO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)Cn2cc(COc3ccc(C4Nc5ccccc5C(=O)N4Nc4ccccc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKCYOINGKVKLG-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(COc2ccc(C3Nc4ccccc4C(=O)N3Nc3ccccc3)cc2)nn1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBYZGXBGRGIJCJ-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(COc2ccc(C3Nc4ccccc4C(=O)N3Nc3ccccc3)cc2)nn1)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPXJIMAHSOOEAZ-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(COc2ccc(C3Nc4ccccc4C(=O)N3Nc3ccccc3)cc2)nn1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERAYXWFGNNNKY-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(COc2ccc(C3Nc4ccccc4C(=O)N3Nc3ccccc3)cc2)nn1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOYFNLUVVKZGRF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cn2cc(COc3ccc(C4Nc5ccccc5C(=O)N4Nc4ccccc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVEIVTCWXIHVCN-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)Cn2cc(COc3ccc(C4Nc5ccccc5C(=O)N4Nc4ccccc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJAIKZNSKSMCA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(COc3ccc(C4Nc5ccccc5C(=O)N4Nc4ccccc4)cc3)nn2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGPZTWDXWOICA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2cc(COc3ccc(C4Nc5ccccc5C(=O)N4Nc4ccccc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYIOHDRBKWKOP-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(COc2ccc(C3Nc4ccccc4C(=O)N3Nc3ccccc3)cc2)nn1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDISTROOHHGFKN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc(NC(=O)Cn3cc(COc4ccc(-c5nc6ccccc6[nH]5)cc4)nn3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXLWAKQSVXRLB-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)Cn2cc(COc3ccc(-c4nc5ccccc5[nH]4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWKPSSVWODKVQF-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(Cc2ccc(Br)cc2)nc2ccccc2c1=O)NNC(=O)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQBCDKMPXVYCGO-FQBKTPCVSA-N", "SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "Conserved protein", "xref": ["CHEMBL.TARGET:CHEMBL5291953"], "id": "UniProtKB:O53728", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDKDKZSNDPXMI-QUCCMNQESA-N", "SMILES:N#Cc1cccc(NC(=O)Nc2ccc3n(c2=O)C[C@@H]2C[C@H]3CN(C(=O)c3ccccc3)C2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJDWTHVMWKXLP-SJORKVTESA-N", "SMILES:COc1ccccc1NC(=O)Nc1ccc2n(c1=O)C[C@@H]1C[C@H]2CN(C(=O)c2ccccn2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5291286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRCRHXHYIOLHJE-MJGOQNOKSA-N", "SMILES:N#Cc1cccc(NC(=O)Nc2ccc3n(c2=O)C[C@@H]2C[C@H]3CN(C(=O)c3cccnc3)C2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTYYWGHSWYPTKR-CVEARBPZSA-N", "SMILES:CC(=O)N1C[C@H]2C[C@@H](C1)c1ccc(NC(=O)Nc3cccc(C#N)c3)c(=O)n1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODWOVPWRPULPI-XXBNENTESA-N", "SMILES:COc1ccccc1NC(=O)Nc1ccc2n(c1=O)C[C@@H]1C[C@H]2CN(C(=O)c2ccc3ccccc3c2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5286864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADABNAXLEVJLHU-XXBNENTESA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@@H]1C[C@H]2CN(C(=O)c2ccc3ccccc3c2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPYKOKWFFLREBN-GCJKJVERSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc2n(c1=O)C[C@@H]1C[C@H]2CN(C(=O)c2ccc3ccccc3c2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTLFIBIXBWORE-YKSBVNFPSA-N", "SMILES:N#Cc1cccc(NC(=O)Nc2ccc3n(c2=O)C[C@@H]2C[C@H]3CN(C(=O)c3ccc4ccccc4c3)C2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2324714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMPJICVFSDYOEG-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL182442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBQRRQTZUJWRC-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IICWMVJMJVXCLY-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENKGSGGXGQHSH-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPRKOYQOBYISD-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3c(O)cccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUMFQGCQAUIFH-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOTVGZSDHZUGID-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(O)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2324704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHINEOZMGPJDNM-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cccc(O)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL40206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLUIQUZGNPAKRL-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGNQECGHYBSCQ-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL296118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKAYAFBLGLCWSY-UHFFFAOYSA-N", "SMILES:Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGIPKQWXNFWPMT-LEHZDZAPSA-N", "SMILES:COc1ccc(CCN2C[C@H]3O[C@]4(C2)CN(S(=O)(=O)c2ccc(C)cc2)[C@]2(C(C)C)C=C[C@H](O)[C@H]3[C@H]42)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDELMZBOFIXWGA-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OCC3(C(F)(F)F)CC3)nc2C2(CCCCC2)C1(C)C"]}
{"name": "Thyrotropin receptor", "xref": ["CHEMBL.TARGET:CHEMBL5291571"], "id": "UniProtKB:P21463", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOHDSYISGKVTN-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)CCc3cccc(Cl)c3)nc2C2(CCC(F)(F)CC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMAMZGOYNNFNBX-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OCC(C)(C)C)nc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOMXYCDNPJDTQB-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OCC(C)C)nc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQJACMMFLPJGCR-ZDUSSCGKSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)O[C@@H](C)C(C)(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMPZDUZCXNFISC-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OCc3cccc(Cl)c3)nc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZHDZZCDHHJVAP-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OCc3ccccc3)nc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNNNUJEBJXVGU-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)CCc3cccc(Cl)c3)nc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKSIZFDDWHDTHP-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ncc(NC(=O)CCc3cccc(Cl)c3)cc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTNPDFQEDQPSGC-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OC(C)(C)C(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBYINCSVWJRSR-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ncc(NC(=O)OCC(C)(C)C)cc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSAZESPVUDALCT-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OCc3ccccc3)cc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPYHHVKVCIAXTB-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OCC(C)C)cc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYYNESYILJSLRM-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OCC(C)(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTSSQIDVPOPJTQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ccc(NC(=O)OCC(C)(C)C)nc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCKSHOASDSPSRS-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ccc(NC(=O)OCC(C)(C)C)cc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKRDHKKGAKRPV-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ccc(NC(=O)OCc3cccc(Cl)c3)cc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDXOTRLCWRFJCY-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2C2(CCCCC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOEKKSRIIAJKNW-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2C2(CCCCC2)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQJACMMFLPJGCR-CYBMUJFWSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)O[C@H](C)C(C)(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANQKTUEKNCKCB-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OCc3cccc(Cl)c3)nc2C2(CCC(F)(F)CC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKFMPILHYHITMK-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OC(C)(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEGSXAZIAWXAJO-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2cnc(NC(=O)OCC3(C(F)(F)F)CC3)nc2C2(CCC(F)(F)CC2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYXCOOQMDMGID-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC2(CCCCC2)c2cc(NC(=O)CCc3cccc(Cl)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOEFWCOWBKDSQX-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)CCc3cccc(C(F)(F)F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2220318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URWFTQOKDRKKAY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(CN3CCNCC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSHWOZAWKHAWKL-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3ccsc3C2=NN1CCCCCCCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXQPJYSXJVUZSK-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3ccsc3C2=NN1CCCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHFUABJEGMXDA-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3ccsc3C2=NN1Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYFCTSGIAUTTNF-UHFFFAOYSA-N", "SMILES:O=C1CC2Cc3ccsc3C2=NN1CCCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSRISIKVNVNLJD-UHFFFAOYSA-N", "SMILES:O=C1CC2CCCc3ccsc3C2=NN1CCCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJYMXTYQGHBQCH-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3ccsc3C2=NN1CCCCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXAAHHFQFLYHV-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3ccsc3C2=NN1CCCCCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSSPAPFVVRZPW-UHFFFAOYSA-N", "SMILES:O=C1CC2Cc3ccsc3C2=NN1CCCCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVIFTUQCMKTSNJ-UHFFFAOYSA-N", "SMILES:O=C1CC2Cc3ccsc3C2=NN1CCCCCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHZOUSUGNFTACG-UHFFFAOYSA-N", "SMILES:O=C1CC2Cc3ccsc3C2=NN1CCCCCCCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGICRROXYSOFL-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3ccsc3C2=NN1CCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPQEUFUCCZAJU-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3ccsc3C2=NN1CCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XARSRMXMKNOSHZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCN1N=C2c3sccc3CCC2CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUPLPUTMVVFAK-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3ccsc3C2=NN1CCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATQZQZVXRCSALL-UHFFFAOYSA-N", "SMILES:O=C1CC2Cc3ccsc3C2=NN1CCCCCCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJPSKQLHUWRSF-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3ccsc3C2=NN1CCCCCCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZBQWNBLHHFJW-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3ccsc3C2=NN1CN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKOTLZTNMZGJF-UHFFFAOYSA-N", "SMILES:O=C1CC2CCc3sccc3C2=NN1CCCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOHREKMRUITIOI-UHFFFAOYSA-N", "SMILES:CN(C)CCCCN1N=C2c3sccc3CCC2CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJYDOFMALQXKA-BJMVGYQFSA-N", "SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C/C=C/C(F)(F)F)CC4)cn3)nc2n(C2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQLILUVVXPRXLE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCGRCAVMPSXODJ-XIEYBQDHSA-N", "SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)/C(C#N)=C/c5ccccc5)CC4)cn3)nc2n(C2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEGBTQUJHYNJH-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cnn2cccnc12)c1cc2cccc(C#Cc3ccc(C(F)(F)F)cc3)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHINKNYAKAJKOJ-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C#CC3CC3)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDMVUQDKUUCLO-UHFFFAOYSA-N", "SMILES:COCC#Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNNPYOGHBVYXEF-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C#Cc3ccc(N(C)C)cc3)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGHYVBGOMNAEK-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C#Cc3ccc(C(F)(F)F)cc3)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKTONYLGKRMRDV-UHFFFAOYSA-N", "SMILES:COc1ccc(C#Cc2cccc3cc(C(C)Nc4ncnc5[nH]cnc45)n(-c4ccccc4)c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPQOGXQPIVNBV-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C#Cc3ccccc3)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4247714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSSKNZHADPXJX-SNVBAGLBSA-N", "SMILES:CCN(CC)c1ccc(C2=NNC(=O)C[C@H]2C)cc1[N+](=O)[O-]"]}
{"name": "Ribonuclease SLFN12", "xref": ["CHEMBL.TARGET:CHEMBL5291543"], "id": "UniProtKB:Q8IYM2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLLZBIBSFTLIN-UTYCNVACSA-N", "SMILES:[2H]C1([2H])CC[C@]2(C([2H])([2H])Oc3nc(N4CC5CCC(C4)N5)c4cnc(-c5cc(O)cc6ccc(F)c(C#C)c56)c(F)c4n3)C[C@H](F)CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLLZBIBSFTLIN-FGLYWSJXSA-N", "SMILES:[2H]C1([2H])CC[C@@]2(C([2H])([2H])Oc3nc(N4CC5CCC(C4)N5)c4cnc(-c5cc(O)cc6ccc(F)c(C#C)c56)c(F)c4n3)C[C@@]([2H])(F)CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLLZBIBSFTLIN-HYHLZPTNSA-N", "SMILES:[2H]C([2H])(Oc1nc(N2CC3CCC(C2)N3)c2cnc(-c3cc(O)cc4ccc(F)c(C#C)c34)c(F)c2n1)[C@@]12CCCN1C[C@]([2H])(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLLZBIBSFTLIN-VYSKJVORSA-N", "SMILES:[2H]C([2H])(Oc1nc(N2CC3CCC(C2)N3)c2cnc(-c3cc(O)cc4ccc(F)c(C#C)c34)c(F)c2n1)[C@@]12CCCN1C[C@H](F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLLZBIBSFTLIN-OIFOCMJWSA-N", "SMILES:[2H]C1([2H])CC[C@@]2(COc3nc(N4CC5CCC(C4)N5)c4cnc(-c5cc(O)cc6ccc(F)c(C#C)c56)c(F)c4n3)C[C@@H](F)CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLLZBIBSFTLIN-CTQNCCGTSA-N", "SMILES:[2H]C1([2H])CC[C@@]2(COc3nc(N4CC5CCC(C4)N5)c4cnc(-c5cc(O)cc6ccc(F)c(C#C)c56)c(F)c4n3)C[C@@]([2H])(F)CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJWEESLEYHKEL-FNHLFAINSA-N", "SMILES:[2H]C([2H])(Oc1nc(N2CC3CCC2CN3)c2cnc(-c3cc(O)cc(Cl)c3C(F)(F)F)c(F)c2n1)C12CCCN1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTOTBNDHPFUNM-FNHLFAINSA-N", "SMILES:[2H]C([2H])(Oc1nc(N2CC3CCC(C2)N3)c2cnc(-c3cc(O)cc(Cl)c3C(F)(F)F)c(F)c2n1)C12CCCN1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLLZBIBSFTLIN-OOAKBQILSA-N", "SMILES:[2H]C1(F)CN2CCC[C@]2(COc2nc(N3CC4CCC(C3)N4)c3cnc(-c4cc(O)cc5ccc(F)c(C#C)c45)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTMXHFVUEHZWDL-QYICPPGGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFWRKPDBFGOABA-UIJUJCQMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFMRAUJMTICKFQ-DDESEPRVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKZRDDQABCXBP-QYICPPGGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJBDIOKOYURKO-UIJUJCQMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIRSNGZGXNHAOI-KHHFLRROSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOJOEDJUUHXMEZ-DDESEPRVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNFEJZRJMWYCN-SAWFXZLWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(=O)NC(=N)NCCC[C@@H](C(N)=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVVNKYNJCSHFA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1ncncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLSRVJYBKQUFNV-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNc2nc3cc(C(=O)O)ccc3c3cncnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGUTYNCPRRPKF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ncncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAABXZIJMLOGRY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(NCCc1cccc(F)c1)c1ncncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDFUUYVVOAFGS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1ccc3ccccc3c1)c1ncncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPMEMSPAOIKER-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ncncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1682282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJWJLNJTKZLHY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ncncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1682280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXPHOLBCMJTBO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ncncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLDKEAJRLUQKG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1ccccc1Cl)c1ncncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULYNWOFGCTVEMP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ncncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNIUZVHLSOCFGG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ncncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4846181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQAXJLRZBEXQO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cncnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3700416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKWLPIWZGQPVEB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLMFILSLBXXIV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRXAHARGWLKIQK-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDMBYNWOAJKXAP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1ccc3ccccc3c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWIQBQDSYRRBAO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3700417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGELIRNZSGROGB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(NCCc1cccc(F)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVRRTZZCDGHGR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHOGRSYMXLDAOH-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNc2nc3cc(C(=O)O)ccc3c3cnccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQYHOITLPMKDW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXKXPGUQKOESU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNRLOZWUTBNQJG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFKRAIKKNYTFV-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKDZIFFKQUNVHH-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKHXXPYOSWXSA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZLLOAHTNOGYBJ-ZDUSSCGKSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2nc(C(=O)Nc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3701282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLNAZQOANZLHT-HNNXBMFYSA-N", "SMILES:CCC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEIPNCCJPRMIAX-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CC[C@@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAIRYVBMOVQIY-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCn1nc(C#Cc2cc(OC)cc(OC)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3701241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXODBZTJVUDOH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFHOADGJQRTPB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3701255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLNSWQPNSJQAHU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(Cn2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3701243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBIDSBZKIOZROC-AATRIKPKSA-N", "SMILES:COc1cc(C#Cc2nn(C3CN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWRNFDMMNZXXJC-QWNKOJSDSA-N", "SMILES:COc1cc(C#Cc2nn([C@H]3CCN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c23)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJPWAAWPFBLPZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2cc(-c3cnc4ccccc4c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJPWAAWPFBLPZ-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CC[C@@H](n2cc(-c3cnc4ccccc4c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJPWAAWPFBLPZ-INIZCTEOSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3cnc4ccccc4c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJLAAMAKAKHNLF-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CC[C@@H](n2nc(-c3cnc4ccccc4c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJLAAMAKAKHNLF-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2nc(-c3cnc4ccccc4c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIIMEJDKBXGCCI-ZDUSSCGKSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKDKTOHLOYUENF-HNNXBMFYSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2nc(CCc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORCUIOLOBKURE-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSSTJGSSRCFGH-UHFFFAOYSA-N", "SMILES:CC(C)=CCOc1cc(OCC=C(C)C)c2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIYRMFFGIDJKG-QGZVFWFLSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(=O)O)C(C)(C)C)nn(-c2ccc(Cl)cc2)c1-n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYKKEGROIFKXCN-SFHVURJKSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(-n2cccc2)n(-c2ccccc2)n1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLWFIVCBTMRSJY-GOSISDBHSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(-n2cccc2)n(-c2ccccc2)n1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJLIZVJITRDBOM-KRWDZBQOSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1nn(-c2ccccc2)c(-n2cccc2)c1C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPQQIGOSWXKBMG-GOSISDBHSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1nn(-c2ccccc2)c(-n2cccc2)c1C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFBCYEFTVXMQRU-KRWDZBQOSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2Cl)c1C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUKWPZGOHMNXLG-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZVFYAVMIAKIBP-QGZVFWFLSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRDFYNDJJLWQM-INIZCTEOSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(N)=O)C(C)C)nn(-c2ccc(Cl)cc2)c1-n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKSZTXKDPVSCN-QGZVFWFLSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(N)=O)C(C)(C)C)nn(-c2ccc(Cl)cc2)c1-n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAKSRYSWJAGCST-QGZVFWFLSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc(-n2cccc2)n(-c2ccccc2)n1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPDXIRLPZHGQQ-INIZCTEOSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(N)=O)C(C)C)nn(-c2ccccc2)c1-n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNWBLDNICXZBM-QGZVFWFLSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(N)=O)C(C)(C)C)nn(-c2ccccc2)c1-n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUYQZOQLVLQSK-INIZCTEOSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(N)=O)C(C)C)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDAONLCPZDOABF-QGZVFWFLSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(N)=O)C(C)(C)C)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAUHCCLJWGWJJD-SFHVURJKSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKIOUUIRRBKES-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXCQBWNLXWLLGM-KRWDZBQOSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c(-n2cccc2)c1C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBJOKAACNOBBV-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c(-n2cccc2)c1C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHNLDYWEQVDTJ-SFHVURJKSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1cc(-n2cccc2)n(-c2ccccc2)n1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKFNWGLPRMTEFR-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1cc(-n2cccc2)n(-c2ccccc2)n1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBDZZEWOPJKZEO-KRWDZBQOSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1nn(-c2ccccc2)c(-n2cccc2)c1C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUKCYFVPWJSQPD-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1nn(-c2ccccc2)c(-n2cccc2)c1C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQPDPNHDWWSNV-KRWDZBQOSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2Cl)c1C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKLAEMXTWHARJO-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2Cl)c1C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPDKQQVVHBIEZ-SFHVURJKSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBOUNQWZYQGEAH-GOSISDBHSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUQVXFTLJUYBJ-KRWDZBQOSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c(-n2cccc2)c1C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBAWHVOPVETKP-GOSISDBHSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c(-n2cccc2)c1C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVNDOMMRGHLME-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGMKWXGHJQWFKY-QGZVFWFLSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc(-n2cccc2)n(-c2ccc(Cl)cc2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEAPMYSNPIPRIH-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cc(-n2cccc2)n(-c2ccccc2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNKNZOWVDKOFD-QGZVFWFLSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc(-n2cccc2)n(-c2ccccc2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UASNJXJOHPMESY-INIZCTEOSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(=O)O)C(C)C)nn(-c2ccccc2)c1-n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOVYJKWELEYTJ-QGZVFWFLSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(=O)O)C(C)(C)C)nn(-c2ccccc2)c1-n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKMNYDSVDXTNLY-INIZCTEOSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(=O)O)C(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFLSIYYYHHRLQP-QGZVFWFLSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(=O)O)C(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDOPQWNNXAPYMV-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cc(-n2cccc2)n(-c2ccccc2)n1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZJWTDJLLFDMA-GOSISDBHSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2Cl)c1C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSUWGOIXOZHTRM-INIZCTEOSA-N", "SMILES:Cc1c(C(=O)N[C@H](C(=O)O)C(C)C)nn(-c2ccc(Cl)cc2)c1-n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGQWOWXHJRPIA-UHFFFAOYSA-N", "SMILES:O=C1CCCc2c1cnn2-c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWMZVXWMAIHXLM-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1cnn2-c1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYWPSLWTHTDLP-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1cnn2-c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRVWTIOYADLSM-UHFFFAOYSA-N", "SMILES:CN1CCc2c(cnn2-c2cc(Cc3cc(F)cc(C(F)(F)F)c3)ccn2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VASPFLVEEOBQOS-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTDSHGJBGHZNA-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1cnn2-c1cncc(Cc2cc(F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJUPWNIIADCOZ-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1cnn2-c1cccc(Cc2cc(F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBOECJPAOVHRQ-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGOYDQHWUFFJF-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXNUPWXWWIYRTR-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1nnn2-c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASJYNMXWYBRRPH-UHFFFAOYSA-N", "SMILES:O=C1NCCc2nn(-c3ccnc(Cc4cc(F)cc(C(F)(F)F)c4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHCYYDGXQROLDP-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccnc(Cc3cc(F)cc(C(F)(F)F)c3)c2)c2c1C(=O)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXADQWVACHIJR-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1cnn2-c1ccnc(Cc2cc(F)c(Cl)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGFEUHUQCXAPI-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2cncc(Cc3cc(F)cc(C(F)(F)F)c3)c2)c2c1C(=O)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIVTXPYULMMSLO-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVAUGYGNLFBWQC-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccnc(Cc3cc(F)cc(OC(F)F)c3)c2)c2c1C(=O)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAWBPYRMBBESDW-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccnc(Cc3cc(F)cc(C(F)F)c3)c2)c2c1C(=O)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLOBFEKJZJYISQ-IGNZVWTISA-N", "SMILES:C[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1S(C)(=O)=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKLUNKKXISSMIY-IWEFOYFVSA-N", "SMILES:C[C@H](C(=O)N[C@H]1COc2ccccc2[C@@H]1S(C)(=O)=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATGRRGMMDHMRX-MJXNMMHHSA-N", "SMILES:C[C@H](C(=O)N[C@@H]1CCc2ccccc2[C@H]1S(C)(=O)=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLOBFEKJZJYISQ-JBBXEZCESA-N", "SMILES:C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1S(C)(=O)=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCXHLWHDSRDTKM-LBPRGKRZSA-N", "SMILES:C[C@H](C(=O)NC1Cc2ccccc2C1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYZYESHOBUXRB-ZDUSSCGKSA-N", "SMILES:C[C@H](C(=O)NC1Cc2ccccc2C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYZYESHOBUXRB-CYBMUJFWSA-N", "SMILES:C[C@@H](C(=O)NC1Cc2ccccc2C1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBUKPJWEWUPZCI-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)NC1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1387826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTZDSNQYNPNCPK-UHFFFAOYSA-N", "SMILES:c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1"]}
{"name": "Metabotropic glutamate receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL3966"], "id": "UniProtKB:Q68ED2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOYDVHWRQOERV-LJQANCHMSA-N", "SMILES:CNC[C@@H](OCC(=O)N1CCCc2ccccc21)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGYSZWZOSSMBA-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(F)ccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPBWSXVEVLYGDX-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccc(F)cc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFPRZYJZMSHFPK-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCCCNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOTJXWDTBLCNSJ-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSSVAGXAUDRAQA-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(F)cc2COc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZJLMCIAZKMGJN-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(C)cc2COc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRNQPJZUXBXKDN-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2cc(F)ccc2COc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVYZLRXIFZSNZ-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2cc(Cl)ccc2COc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQAMSQGRJRHPLL-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(C)ccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJYQSMCBEZPEOF-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccc(C)cc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGHSFEHIOWEQTR-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccc(OC)cc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNKGHKBOUNMTFH-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(Cl)ccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRWJVBZMIOSTK-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSFLNOEDGZOJB-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCCCOc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPCXQUTYUWQPF-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCCOc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRKIMDTJIQNPO-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AALRGEOVDQNARX-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUHJHZQYIBJCSQ-UHFFFAOYSA-N", "SMILES:Cn1cnc2c1c(=O)n(CCCn1c(=O)c3nc[nH]c3n(C)c1=O)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOHBMPKEFFDCAT-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQWXYUBSZSICC-UHFFFAOYSA-N", "SMILES:CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(OC(F)(F)F)cc2COc2ccccc2CNC(=N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQIRFRPHWDRTL-VLNKEHDUSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC(O)CC6(CC6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIUCZRMHQPNQEJ-FLYYSWJDSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCCC6(CC(=O)N6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILIDEQMFKUPQBJ-SGNOVDSTSA-N", "SMILES:Oc1cc(-c2ncc3c(N4CCCC5(CC(O)C5)C4)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(F)c(F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUXCCZUBAUIJSX-DPKSQUOKSA-N", "SMILES:CCc1cccc2cc(O)cc(-c3ncc4c(N5CCCC6(CC(O)C6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFILTBBCHWBQW-AGCLJLFVSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCCC6(CNC(=O)O6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUFLRSMAQREKRN-UIICDIJFSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCCC6(CCO6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNBQBCOFWYNOFV-LZZYYUTMSA-N", "SMILES:CCc1cccc2cc(O)cc(-c3ncc4c(N5CCCC6(CCO6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPBKOEMZXRETQS-VIZGZJEGSA-N", "SMILES:Oc1cc(-c2ncc3c(N4CCCC5(CCO5)C4)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(F)c(F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSUMYBVHUTVIMZ-UIICDIJFSA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCCC6(CCO6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOFIDBDQKPLOIA-NMBBPYNWSA-N", "SMILES:Oc1cc(Cl)c(C2CC2)c(-c2ncc3c(N4CCCC5(CCO5)C4)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZNAFKAHVFVRU-YYAADSQRSA-N", "SMILES:Oc1cc(-c2ncc3c(N4CCC[C@]5(CCO5)C4)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(Cl)c(F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJFITONFEILXMV-LKFAGKCCSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCCC6(CCO6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHFGKRZUBZDEO-OFRFHDCUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBIVDWIPYXDCTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2sc3c(c2C#N)CCCC3)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAFBFLQYRSRGDY-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccccc2)[nH]c2ccc(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOQBWYSGHJGAI-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVWKJEMTFKKCDT-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DREJCZYHSLQQGT-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccc(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSEXADIMPQQDMW-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIWYLNVPMZPVEK-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCCc2ccc(N3CCCC3C)cc2)[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXVRYVDABLVQCW-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCCc2ccc(F)cc2)[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3793353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTNLZZEPSCAIH-IJLUTSLNSA-N", "SMILES:C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3689503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCKLYFDWWYCLS-LJQANCHMSA-N", "SMILES:OCCOc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYINJWAFUDMHN-UHFFFAOYSA-N", "SMILES:Cc1nnnn1-c1ccc(C(=O)NCc2cccc(C(=O)NC3=NC4CCN(C)CC4S3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFYGSKZPWABCFC-ZKCHVHJHSA-N", "SMILES:NC(=O)c1cc(F)c(N[C@H]2CC[C@H](N)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTCPRZFKMFVDJF-UHFFFAOYSA-N", "SMILES:CNCCC(Oc1cccc(Cl)c1)c1ccc(-c2cn[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGYPCCQLBPTNML-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(-c3cn[nH]c3)cc2)N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDLDHJBOWQROZ-SFHVURJKSA-N", "SMILES:CNC[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDLDHJBOWQROZ-GOSISDBHSA-N", "SMILES:CNC[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMOSYUFVYJEPY-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVNXUGXCJUQNLQ-RBUKOAKNSA-N", "SMILES:O=C(Nc1ccc(-c2cn[nH]c2)cc1)[C@@H]1CNC[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFJGJOKFAXJGE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Cl)Nc1ccc(-c2cn[nH]c2)cc1OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROKSJUNBGLFTGV-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGSCJRALLFHGQF-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4ccnc(N)n4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBEYXNMHPBPYSU-UHFFFAOYSA-N", "SMILES:c1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDNKTJUMCHZJG-UHFFFAOYSA-N", "SMILES:O=C(NCc1c(Cl)cccc1Cl)Nc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3040797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLSFXOUAPAZFIV-SNVBAGLBSA-N", "SMILES:C[C@@H](N)c1ccc(C(=O)Nc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPFZGAUIUWSOR-UHFFFAOYSA-N", "SMILES:COc1nc(Nc2ccc3[nH]ncc3c2)nc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNUYXYXODWZHA-VBKZILBWSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccc4[nH]ncc4c3)c(F)c2)cc(N2C[C@@H]3CCCN[C@@H]3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HITUMGOREHGTCV-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccc4[nH]ncc4c3)c(F)c2)cc(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTFYYZHMRBVHK-IBGZPJMESA-N", "SMILES:O=C(Nc1ccc(-c2ccncc2)cc1)N[C@@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVRPQJUVEIYKGC-IBGZPJMESA-N", "SMILES:N[C@H](Cc1cccc(F)c1)NC(=O)c1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNLXJFORSAWCLO-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2cc3cc(-c4cn[nH]c4)ccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXASEBKCVVWWAC-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2c[nH]c3ccc(-c4cn[nH]c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1922138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIEPLDYDLYBUEY-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2[nH]c3cc(-c4cn[nH]c4)ccc3c2CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1922026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPWBFZKWSHLBDN-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)cc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYYXTYGBJSTMEA-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2n[nH]c3ccc(-c4cn[nH]c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHIMLBLXVJQLL-UHFFFAOYSA-N", "SMILES:COc1cccc(CN(CCN(C)C)C(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEUEKMGESFKPF-UHFFFAOYSA-N", "SMILES:COc1cccc(CN(C(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHTKNEGJOZJXTR-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2nn(C)c3cc(-c4cn[nH]c4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKNRUYEEOENNF-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXCIYGDFFVRMTI-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2nc3ccc(-c4cn[nH]c4)cc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVPIOMMLDGIAJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cn[nH]c2)cc1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1922045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIYIZHALYURIU-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3546192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBLBFNKPCNPVLW-UHFFFAOYSA-N", "SMILES:NCc1ccc(Oc2ccc3c(c2)B(O)OC3)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCITXZXBLWIHHP-UHFFFAOYSA-N", "SMILES:Cc1c(Oc2ccc(CN)cc2F)ccc2c1B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3546188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUWUQFIFQVYZSK-UHFFFAOYSA-N", "SMILES:NCc1ccc(Oc2ccc3c(c2)B(O)OC3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIWGJMMDJWIKB-UHFFFAOYSA-N", "SMILES:CC(C)c1c(Oc2ccc(CN)cc2Cl)ccc2c1B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDPZTKHHNBQPY-UHFFFAOYSA-N", "SMILES:O=C(OCC1CCCO1)c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWWPOKDCCFPYFJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(c1nccc(Nc3ccc(-c4ccncc4)cc3)n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWVKCTINPBKQMS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(c1nccc(Nc3ccc(-c4cn[nH]c4)cc3)n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEXIHZWZLSQPGH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(c1ncc(C)c(Nc3ccc4[nH]ncc4c3)n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHUIIODYNUMNO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(c1nccc(Nc3ccc4[nH]ncc4c3)n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3891301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUJABRZNRKRZRI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAIYLGVPZPZFRQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1)N1Cc2ccc(F)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJADABDCFYXZDB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1)N1Cc2ccc(Cl)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL396545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKPEFZKFTUGFE-YWZLYKJASA-N", "SMILES:CC1(C)[C@H]2CC=C(CN3CCC(NC(=O)Nc4cc(F)cc(C(F)(F)F)c4)CC3)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGRIYGSTLNXPRC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ccccc2c1)NC1CCN(CC2=CCCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDSDMTJZGWJHEU-UHYNTXCVSA-N", "SMILES:CC(=O)N1C2C=C(CN3[C@@H]4CC[C@H]3C[C@H](Nc3ccc5ccc(OC(C)C)cc5n3)C4)CC1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENZWNOPOBXYDA-FSMQOODQSA-N", "SMILES:CC(=O)N1C2C=C(CN3[C@@H]4CC[C@H]3C[C@H](NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRGGOZFUMLKLA-JXFKEZNVSA-N", "SMILES:CC1(C)[C@H]2CC=C(CN3CCC(Nc4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ns4)CC3)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAKONVGNKHFQIL-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1n(C)c(=N)n2CC(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL194494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGBOXIHUWKAPDU-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETXZYFYCBPSQN-JOCHJYFZSA-N", "SMILES:CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC)cc3)nc3ncccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVQPVIBEPUHUPH-GOSISDBHSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1)N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1939560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEITUDGLRIHMG-GOSISDBHSA-N", "SMILES:C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1)N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(C(F)(F)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDHCRDNIQTCFU-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CCCN(c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2NC(=O)c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWBOMUFSWMQIR-VQNDASPWSA-N", "SMILES:CC(=O)Nc1cccc(/C(C)=N\\NC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1085509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUDKTWLENPMEO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3nnn[nH]3)c(F)c2)Cc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPJCXDAFUSHQL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIBLABCMQPRMIQ-UHFFFAOYSA-N", "SMILES:O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLNKIXUTMPLHB-UNKBGUKKSA-N", "SMILES:CN(C)CCn1cc2c3c1CC=CC3C1=C[C@@H](C(=O)N3CCCC3)CN(C(=O)Nc3ccccc3)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJYPSNOBFDTBFM-ZBOFDPRTSA-N", "SMILES:CCN(CC)C(=O)[C@@H]1C=C2C3C=CCc4[nH]cc(c43)C[C@H]2N(C(=O)Nc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOLHEDJKVLFUHL-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CCCN(c2ccc(C(=O)NC(C)C)cc2NC(=O)c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSNOWXRIRPEFEC-PIVRLWAJSA-N", "SMILES:C[C@H]1CN(S(=O)(=O)CC23CCC(CC2O)C3(C)C)CCN1C1NCC(C(F)(F)F)CC1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOFHEOGLZMYUJI-UHFFFAOYSA-N", "SMILES:CC1(C)C2CCC1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSZPCQMXRFQRKH-JOCHJYFZSA-N", "SMILES:CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C12CCN(Cc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JENUMEXEVAAAJX-JTQLQIEISA-N", "SMILES:Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(C(F)(F)F)nc3)C[C@@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMFVJFWPPDAJQI-INIZCTEOSA-N", "SMILES:C[C@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSXKWXISJLOQM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CCCO2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDMXTXOJHWGUDX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXYRXSUFWYJSDF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cnc1N1CCC(CCNc2cccnc2)CC1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZSJEXJNWYEMBF-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(c2ncc(Cl)cc2-c2cnc(N3CCC(O)CC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGLDORDWWTIHM-UHFFFAOYSA-N", "SMILES:CC(=O)c1nc2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGJIMSLHSBDSK-UHFFFAOYSA-N", "SMILES:C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CCC2)cc1)C1CCOCC1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2220517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCPSKGNIXBUQQY-UPVQGACJSA-N", "SMILES:CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4cccc(Cl)c4)cc3)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1484738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKPIWYXWLJPJF-UHFFFAOYSA-N", "SMILES:N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWCNWXRIOASWAJ-UHFFFAOYSA-N", "SMILES:Fc1cc(Cl)ccc1CN1CCC(NC2C3CC4CC(C3)CC2C4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1921858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYDYJFWSPRQEAX-KRWDZBQOSA-N", "SMILES:CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZDJQLZEUSEOLT-XXBNENTESA-N", "SMILES:CCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(Cc5ccc(Cl)cc5)CC4)C[C@H]3C)c(C)n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MISHZHIBLCLLIB-KRWDZBQOSA-N", "SMILES:CC[C@H]1CN(c2ncc(C(N)=O)nc2C)CCN1C1CCN(Cc2ccc(Cl)nc2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLIYLATOOZPIS-QFIPXVFZSA-N", "SMILES:CC[C@H]1CN(c2ncc(-c3ccco3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1681882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXEUJQNDOXTGHH-NRFANRHFSA-N", "SMILES:CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@@H](CC)C2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1681848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYKWJDOTAPBPQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(F)c1)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLLWSLEDQZNPB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCC(N3CCN(c4ncc(C(=O)NCCOc5ccccc5)cc4Cl)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXMHOCUXSOSZFO-UKTHLTGXSA-N", "SMILES:C1=C/Cc2ccc[n+](c2)CCCCCCCCCCc2ccc[n+](c2)CCCCCCC/1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5285951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLIVMLMNSYGNU-HKUZPKBZSA-N", "SMILES:C[C@@H]1CC[C@@]2(OC1)OC1CC3C4CC=C5[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CCC[C@]5(C)C4CC[C@]3(C)C1[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCIXLNTUPVOTSJ-XWHCVYANSA-N", "SMILES:CC[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)/C=C(\\C)[C@@H](O)[C@@H](C)/C=C(\\C)[C@@H](O)[C@@H](C)/C=C(\\C)C(=O)OC[C@@H](O)[C@H](O)[C@H](O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3894359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFORRJHQQNWMP-QFIPXVFZSA-N", "SMILES:CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@@H](CC(=O)O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSXEWQTJJBVIV-YBXDKENTSA-N", "SMILES:COc1cc(CN(C[C@H]2CC[C@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCEIUECOYSVCTL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(-c4ccccc4)sc3C(N)=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL125229", "category": ["biolink:ChemicalEntity"], "name": "DIKETOPIPERAZINE", "xref": ["InChIKey:BXRNXXXXHLBUKK-UHFFFAOYSA-N", "SMILES:O=C1CNC(=O)CN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2229607", "category": ["biolink:ChemicalEntity"], "name": "N-CYCLOPENTYLDECANAMIDE", "xref": ["InChIKey:FOXUGKUZLKLMLV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKODXSIQIJZFFJ-AWEZNQCLSA-N", "SMILES:O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL575294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMCPRYGJUZWON-JTQLQIEISA-N", "SMILES:O=C(Cc1ccc(Br)cc1)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3398010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLITQCTVJDOQP-SNVBAGLBSA-N", "SMILES:C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL479579", "category": ["biolink:ChemicalEntity"], "name": "PHOSPHORAMIDON", "xref": ["InChIKey:ZPHBZEQOLSRPAK-XLCYBJAPSA-N", "SMILES:CC(C)C[C@H](NP(=O)(O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5285201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSSDVRJWSPNWRU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(=O)cc1)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBCLKJNYTWVSE-UHFFFAOYSA-N", "SMILES:CC(=O)SCC(=O)Nc1cc(C)c(Br)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYCDQSOZGHODB-IRXDYDNUSA-N", "SMILES:NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CS"]}
{"name": "Acyl-homoserine lactone acylase PvdQ", "xref": ["CHEMBL.TARGET:CHEMBL1741161"], "id": "UniProtKB:Q9I194", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:208964"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDRLQRJCGJJTB-UHFFFAOYSA-N", "SMILES:O=c1onc2n1-c1cc(Br)ccc1OC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5284520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXQNDKQUHKVTTC-UHFFFAOYSA-N", "SMILES:N#CC(c1ccc(F)cc1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3589830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSRCODGUFIKMDR-ZCYQIBNQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCOYGDGUGLMADA-DZVZFZLASA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)[C@@H]1C[C@H](NC(=O)[C@H](Cc2cn(CCNC(=O)c3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)nn2)NC(=O)COc2ccccc2)CN1)NC(=O)[C@@H]1C[C@H](NC(=O)[C@H](Cc2cn(CCNC(=O)c3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)nn2)NC(=O)COc2ccccc2)CN1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLOVVZHXVACBRZ-KUAUPONBSA-N", "SMILES:CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)Cc1cc(OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc(c1C(C)(C)C)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZJQCHFSBJBWLY-UVUDRLKISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCNC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCNC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)C[C@@H]1O[C@@H](C)[C@@H](C)[C@@H](C)[C@@H]1O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O)[C@@H](C)CC)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVZKNXRZLVIBOY-BIVRFLNRSA-N", "SMILES:C[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUNBLYZSIWBJL-HPEALNBZSA-N", "SMILES:CO[C@H]1O[C@H]([C@@H](O)CNS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067643", "category": ["biolink:ChemicalEntity"], "name": "L-FUCOSE", "xref": ["InChIKey:PNNNRSAQSRJVSB-KCDKBNATSA-N", "SMILES:C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O"], "synonym": ["Elfucose", "L-fucose", "Elfucose", "Elfucosa", "L-fucose", "(-)-fucose", "6-deoxy-l-galactopyranose", "Avtx-803", "Deoxygalactose-cerecor", "Elfucose", "Fucose", "Fucose, l-", "Fucose-cerecor", "L-(-)-fucose", "L-fucopyranose", "L-fucose", "L-galactomethylose", "CERC-803", "NSC-1219", "Elfucose", "L-fucose", "L-fucose"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3590185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFDVGUXRLQWLJX-QGTNPELVSA-N", "SMILES:CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJFACADUYAGDP-VOYCPIQVSA-N", "SMILES:COC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLNDGAESFAFSN-VHXCQGPPSA-N", "SMILES:CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1OCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBVPTZIDSXEEJ-DHDCSXOGSA-N", "SMILES:O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\\c1ccc(-c2ccc(Br)cc2C(=O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIOGQRSFMIHRF-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2c(-n3ccnc3)c(-c3ccc(Br)cc3)nn2-c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUUVUDFHHMCTC-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(CN(CCc3ccccc3C)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL523052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUMJQFRANSTLTQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(C2CCCCC2)nc2ccccc12)NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADAREEGFFYODDY-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(O)cc(C(F)(F)F)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1339340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZUHYIHYBDNLC-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYASYBDGIPMJT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCCc2ccccc2)C(c2ccccc2[N+](=O)[O-])C2C(=O)CCCC2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMHHBSETXILLU-SRZZPIQSSA-N", "SMILES:O=C(O)c1ccc(/N=C/c2c(O)ccc3c2C2CCCCC2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUFQFRYUZLXBJG-UHFFFAOYSA-N", "SMILES:Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(NC(=O)C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1405735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMPOAXYUGWTIIV-UHFFFAOYSA-N", "SMILES:CCC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSKMWDSWHSDHV-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC(C)(C)C)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UICFGOSRHHZBHZ-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJTINUKMKJKLBT-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMICIXHTRIFAET-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJOEJDGHVXXEB-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFWNRLSYPAVJB-UHFFFAOYSA-N", "SMILES:O=C(On1nnc2ccccc21)c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCBNUTYVOLXDN-JTKKLOFZSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(C)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKLLOMUJFZNEN-PAPRTFJKSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)Cn1[nH]c(=O)c2c([N+](=O)[O-])cccc2c1=O)C(C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOUHYIBNRERGL-NUSJOUCTSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)Cn1[nH]c(=O)c2c([N+](=O)[O-])cccc2c1=O)C(C)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDPRIAVXQJFHN-CVORFGCJSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHADTPBMTBSIET-VIUYAVOVSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(C)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL372816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFJZNRFNKLNOW-LNSIDSAXSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[nH]c(=O)c2c([N+](=O)[O-])cccc2c1=O)C(C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWILPQKGVLDRA-VREIQKLASA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[nH]c(=O)c2c([N+](=O)[O-])cccc2c1=O)C(C)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHHBYMVWJMTGA-YAAAGTRMSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPFNIFTFHQBDR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc(Cl)cc2)o1)C(F)(F)c1cncc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYLOEMFGLQBHPE-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFKSIAIGJJXER-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc(Cl)cc2)o1)C(F)c1cncc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWLOXPEKYHTRQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1cncc(Br)c1)c1cnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKIAUCQKBNLKE-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDKJQAQOOLPEW-UHFFFAOYSA-N", "SMILES:O=C(Cc1cncc(Br)c1)c1ccc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRVPGYUYHNTCD-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C)(C)C)c2ccn(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVCDURWFSLHBU-BOQBVJRXSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(C)OCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPNRYWHKLSSQRF-MVETXZCTSA-N", "SMILES:CC(=O)NC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[C@@H](CO)C(=O)N[C@H](C=O)CCC(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYWXRKMBLPOMQ-VZWUNSFZSA-N", "SMILES:CC(=O)NC(CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCC(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHJLTFEEOIBFO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2cc(B(O)O)cc([N+](=O)[O-])c2)cc1)c1cc(B(O)O)cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGFYVBGKRZQPV-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1COC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1)c1cc(B(O)O)cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVAKMWCFLBGPRM-UHFFFAOYSA-N", "SMILES:O=C(OCc1cccc(B(O)O)c1)c1cc(B(O)O)cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1333953", "category": ["biolink:ChemicalEntity"], "name": "PHENYLMERCURIC ACETATE", "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBNZTDULZKZFFM-KQRRRSJSSA-N", "SMILES:O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLUXVNBHWOCFLK-BJLQDIEVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYNAJFHPZRULF-BJLQDIEVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTMWMCPRVAROGQ-CIYBFAGOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFWOSZPCRXJEP-GASGPIRDSA-N", "SMILES:O[C@@H]([C@H](O)[C@H](Cc1ccccc1)NCc1ccccc1)[C@H](Cc1ccccc1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZAHPTZPXFVQDG-CLLHQPRTSA-N", "SMILES:O[C@@H]([C@H](O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZOOWWJNLKKNM-JWEKRMLRSA-N", "SMILES:CC(C)[C@H](N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@H](O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZROVKDRBUVJGC-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NC(=O)OC(C)(C)C)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDGCJTUSQAGJG-UHFFFAOYSA-N", "SMILES:C=C(CC)C(=O)c1ccc(OCC(=O)NC(=O)OC(C)(C)C(N)=O)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZKBNCDAGYDHTP-PRPRGGMHSA-N", "SMILES:O=c1c(OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5267172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGAKLYWEFZCVIT-NIEMNNIISA-N", "SMILES:NCCCC[C@H](NC(=O)C(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(c1ccccc1)c1ccccc1)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKOGCMZGDIGQE-IDXZMYIGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIAWNGFHAHURZ-FEKJOIAMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPFREUXJQYMPE-GMDQBBKYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBSFTZJAYRRQQ-USSPWNEHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSIJWQZILWJPQB-WVKITUBLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLIJYNCTNKGDAO-YKHRJRMHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469", "category": ["biolink:ChemicalEntity"], "name": "KETOROLAC", "xref": ["InChIKey:OZWKMVRBQXNZKK-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O"], "synonym": ["Ketorolac", "Ketorolac", "Ketorolac", "Ketorolaco", "Ketorolac", "Ketorolac"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL5286930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOXNAMUAHAVQHG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cn3c(c2-c2ccc(F)cc2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFNOXWNLYORGBO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cn3c(c2-c2ccc(Cl)cc2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBGMBIPNSQPLQV-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2cn3c(c2-c2ccc(C)cc2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSUVIUWANQXKX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)cn3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXFGFGZDOOZLTH-UHFFFAOYSA-N", "SMILES:CC1(C)Cn2c(CC(=O)O)c(-c3ccc(Cl)cc3)c(-c3ccccc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAWAFPHKXWZASY-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUNYHDHBUKRWBK-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(-c3ccccc3)c(-c3occ4ccccc34)c(CC(=O)O)n2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXCEZCVCGFPIG-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(-c3ccccc3)c(-c3ccco3)c(CC(=O)O)n2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGWCZUSDBVTXHW-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(-c3ccccc3)c(-c3ccsc3)c(CC(=O)O)n2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIOSWJZMFRLOA-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)s3)c(CC(=O)O)n2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCCWOUMTBFRHCJ-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2cn3c(c2-c2ccccc2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDOBMAJQUIWFQP-UHFFFAOYSA-N", "SMILES:COC1c2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2CC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNDQXJQXEITGBL-UHFFFAOYSA-N", "SMILES:COC1c2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(C)n2CC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERFLINBYIHYSS-FMQUCBEESA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(CCc3ccccc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDWQUMGBQZQKW-ISLYRVAYSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(SCc3ccccc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUUACPISHJGNFP-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cn3c(c2-c2ccccc2)CCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQDDEASFJHPCEE-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2cn3c(c2-c2ccc(F)cc2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBGCEOVDIDNIG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cn3c(c2-c2ccccc2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEGIBOZTKTZDM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cn3c(c2-c2ccccc2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFZBSPRIAGXCC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn3c(c2-c2ccccc2)CCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYJDWOZQULZUCQ-ISLYRVAYSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOBHTTGEXKWXCG-ISLYRVAYSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(Cc3ccccc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYEWHCHOOWMKCL-OUKQBFOZSA-N", "SMILES:Nc1ccc(-c2c(-c3ccccc3)c3n(c2/C=C/C(=O)O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYGSUULFQOJYKD-ISLYRVAYSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(Nc3ccccc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGHISHQLXRFNMU-WUKNDPDISA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(Nc3ccc(Cl)cc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFIZIQBYWCMMKE-FOCLMDBBSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(Nc3cccc(C(F)(F)F)c3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDCWFWIPZBPAP-ISLYRVAYSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(Sc3ccccc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VICLZRJREKDGNQ-ISLYRVAYSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc([S+]([O-])c3ccccc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWMWJLNRQHUPDN-ISLYRVAYSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(S(=O)(=O)c3ccccc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIVMACRYDSPKL-ISLYRVAYSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc([S+]([O-])Cc3ccccc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWWHTMQFNJREE-ISLYRVAYSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(S(=O)(=O)Cc3ccccc3)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJMOHRZVWVUHIC-OUKQBFOZSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccc(O)cc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIPNTYCUMGNXKO-BUHFOSPRSA-N", "SMILES:O=C(O)/C=C/c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRFLTDYOAMOLAD-UHFFFAOYSA-N", "SMILES:c1ccc(-c2c(-c3cccs3)cn3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDSUNYLXVBWSRY-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2cn3c(c2-c2ccccc2)CCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOHHXYPYOYMQX-UHFFFAOYSA-N", "SMILES:c1ccc(-c2c(-c3ccco3)cn3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYVJCXEFBYGQC-UHFFFAOYSA-N", "SMILES:Cc1sc2[nH]c(CNc3ccc(F)cc3)nc(=O)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGVDLKFLSDEPA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1574526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEPVTJXONEJLT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n2ncc(C(=O)NCc3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIIZXJBAFDSPMT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(C(=O)CCn2nc(C)c(Cl)c2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITUQGVCEABCIAS-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2cc3cc(F)ccc3[nH]2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFAZJPCADRMDY-DVWYDMIVSA-N", "SMILES:COc1cc(/C=C2\\CC(C)C/C(=C\\c3cc(OC)c(OC)c(OC)c3Br)C2=NO)c(Br)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXLKCIVALWKUQP-GONBZBRSSA-N", "SMILES:COc1cc(/C=C2\\CN(C)C/C(=C\\c3cc(OC)c(OC)c(OC)c3Br)C2=NO)c(Br)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFDSUKODVFXKW-CYZHIAODSA-N", "SMILES:COc1cc(/C=C2\\CC(C)c3ccccc3\\C2=N\\O)c(Br)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMICQZYPDHPHBG-KASPCKEOSA-N", "SMILES:COc1cc(/C=C2\\CCc3c(O)cccc3\\C2=N\\O)c(Br)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLRBJIMIRTCKE-QKAUXPHXSA-N", "SMILES:COc1ccc2c(c1)CCC(=C\\c1cc(OC)c(OC)c(OC)c1Br)/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEWQIPGWNRQHM-GRNBQPFPSA-N", "SMILES:COc1cc2c(cc1OC)C(=N/O)/C(=C/c1cc(OC)c(OC)c(OC)c1Br)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFUZBITVCBTPOT-SJIKUXLXSA-N", "SMILES:COc1ccc(OC)c2c1CCC(=C\\c1cc(OC)c(OC)c(OC)c1Br)/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRZSDXFBVYTAK-OJCLKPAMSA-N", "SMILES:COc1ccc(/C=C2\\CCc3ccc([N+](=O)[O-])cc3\\C2=N\\O)c(Cl)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRIDVAZGQINFMG-ZTMOFMHWSA-N", "SMILES:COc1cc(/C=C2\\CCc3ccc([N+](=O)[O-])cc3\\C2=N\\O)c(Br)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCYXBDMLYJTAFD-HOFJZWJUSA-N", "SMILES:CCN(CC)CCON=C1/C(=C/c2cc(OC)c(OC)c(OC)c2Br)CN(C)C/C1=C\\c1cc(OC)c(OC)c(OC)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBSIZDYPZEHPY-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(NCCCNC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZSDQVIZMYDEEC-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccnc(NCCNC(=O)Nc3cccc(C(F)(F)F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJKYUPNRUDJESS-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEKTDJXYGAMEM-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1cc(-c2cn(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHKMPGKJLBHTKQ-UHFFFAOYSA-H", "SMILES:CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3CC)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVJKUJPWKCPHCH-UHFFFAOYSA-H", "SMILES:CCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C(C)(C)C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHRDUHOCLQWBC-UQMUHENRSA-A", "SMILES:O=S(=O)([O-])OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](OS(=O)(=O)[O-])[C@@H](O[C@H]4[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@H](O[C@@H]5[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@H](O[C@@H]7[C@H](O)[C@@H](O[C@@H]8[C@H](OS(=O)(=O)[O-])[C@@H](O[C@H]9[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@H](O[C@@H]%10[C@H](O)[C@@H](O[C@H]%11[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@H](O[C@@H]%12[C@H](O)[C@@H](O[C@@H]%13[C@H](OS(=O)(=O)[O-])[C@@H](O)O[C@H](COS(=O)(=O)[O-])[C@H]%13OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]%12OS(=O)(=O)[O-])[C@H]%11OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]%10OS(=O)(=O)[O-])[C@H]9OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]8OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]7OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O[C@H]4O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O[C@H]7O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O[C@H]9O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]%10O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]%11O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O[C@H]%12O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]%13O[C@H](COS(=O)(=O)[O-])[C@@H](O)C[C@@H]%13OS(=O)(=O)[O-])[C@@H]%12O)[C@@H]%11OS(=O)(=O)[O-])[C@@H]%10O)[C@@H]9OS(=O)(=O)[O-])[C@@H]8OS(=O)(=O)[O-])[C@@H]7O)[C@@H]6OS(=O)(=O)[O-])[C@@H]5O)[C@@H]4OS(=O)(=O)[O-])[C@@H]3OS(=O)(=O)[O-])[C@@H]2O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZQOIZBAGYHBT-FPYGCLRLSA-N", "SMILES:O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Cl)cc4Cl)cc3F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGBVMNCZGOFCJQ-BHEHYUOBSA-N", "SMILES:CCCCCCCCCCCCCCCc1c(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)ccc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTBZIUIJFUJIIS-WECGSMFPSA-N", "SMILES:CCCCCCCCCCCCCCCc1c(O[C@H]2O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@H]2O)ccc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZGKQBMOYUNOS-JWZJVJNFSA-A", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@@H](OO[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]7O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]8O[C@@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]8OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]5OS(=O)(=O)[O-])C[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYPMEIJNWCJNF-UCSUVLOISA-D", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@@H](OO[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]7O[C@@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]5OS(=O)(=O)[O-])C[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKKFRZLJMEYJD-JIDQTGHFSA-A", "SMILES:O=S(=O)([O-])OC[C@@H]1O[C@H](O[C@H]2[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](O[C@H]3[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])O[C@@H]3COS(=O)(=O)[O-])O[C@H]2COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1O[C@H]1O[C@@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSUKBBXSLQMHNE-BNDRLQGQSA-C", "SMILES:O=S(=O)([O-])OC[C@@H]1O[C@H](O[C@H]2[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](O[C@H]3[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])O[C@@H]3COS(=O)(=O)[O-])O[C@H]2COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1OOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJBUSLPNHTRJK-CRLFTPRISA-N", "SMILES:O=S(=O)(O)OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C(C3O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]4O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]4OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)O[C@H]2COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1O[C@@H]1O[C@@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O"]}
{"name": "P-selectin", "xref": ["CHEMBL.TARGET:CHEMBL2455"], "id": "UniProtKB:Q01102", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJHZUAZBGPPQK-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc2oc(-c3ccc(OC)c(N4C(=O)c5ccc(C(=O)O)cc5C4=O)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHQBFMNCJCQPW-ONNFQVAWSA-N", "SMILES:O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)cc3F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFRGJWMWZUWTR-XCVCLJGOSA-N", "SMILES:O=C(O)Cc1nc(-c2ccc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)cc3Cl)o2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURUNRMSWAQLDE-UHFFFAOYSA-N", "SMILES:CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVSTFTVOJYOKH-UHFFFAOYSA-N", "SMILES:CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(F)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFSGUWVRLIHGSM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4ccc(F)cc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBXWNYXDMSFQU-ONNFQVAWSA-N", "SMILES:O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)c(F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHBWQYGVCUHXCM-UHFFFAOYSA-N", "SMILES:CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOBNAKYNXSFFO-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NS(=O)(=O)CCNC(=O)c2ccc(Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGWQPUFWVMNLQW-ZMVGRULKSA-N", "SMILES:O=C1[C@@H]2[C@H](C(=O)N1CCC[N+]1(CCO)CCCC1)[C@H](c1cc(-c3ccc(Cl)s3)on1)N1CCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4283525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYOZEWNCAPQIAE-ZQEOTTOMSA-N", "SMILES:C[N+](C)(C)CCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ncc(-c3ccc(Cl)s3)o1)N1CCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCNHSXPHCSYYCR-QZHFEQFPSA-N", "SMILES:C[N+](C)(C)CCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1coc(-c3ccc(Cl)s3)n1)N1CCC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOEJSCBUQCBIJE-QQJVBVIDSA-N", "SMILES:N=C(N)c1ccc(C[C@@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C(=O)NCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL154680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMOZOQNFWYWZQF-UHFFFAOYSA-N", "SMILES:NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUOAFAJSUPHOG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDHTIFDRFSZDA-PKNBQFBNSA-N", "SMILES:CC(c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDHTIFDRFSZDA-SANBJVLNSA-N", "SMILES:C[C@H](c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDHTIFDRFSZDA-KFTKHCSHSA-N", "SMILES:C[C@@H](c1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPNITVPSKXJRML-ZFXBFDPNSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKHXSFPYJSHCX-UHFFFAOYSA-N", "SMILES:CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(O)cc(F)c(-c3ccc(Cl)cc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEOSYRMQDNYEEI-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(Cl)nc3s1)c1c(O)cc(F)c(-c3ccc(F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXWMNILSGEZEV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUOAICAYRBIOOW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)Nc1cccnc1Oc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWIEHYMRPMWGD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKYOSNJKFKOPQB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMAQALQBXPBNN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXLVUJREGGRTO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCATWSGWQNSJND-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIDGUWYBKZWBHV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1cccnc1Oc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSOMLMIARRGEY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1cccnc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPPMNPCOUPBIN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COTGAORQPUSNAQ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBMVKIALGJUPLA-UHFFFAOYSA-N", "SMILES:CCc1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWNWCDHNXJLSG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1cccnc1Oc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMCMFGQXEMTEHT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYJPMFMCIMJOD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQIAZYULDLPSB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cccnc2Nc2ccccc2C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAIPZPCGTLOMFE-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLECKXIIVSFDQR-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C3CCCCC3)cc2)n(-c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWICMDWOWXTZPX-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1"]}
{"name": "P2Y purinoceptor 2", "xref": ["CHEMBL.TARGET:CHEMBL1075298"], "id": "UniProtKB:P35383", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223344", "category": ["biolink:ChemicalEntity"], "name": "RB 2", "xref": ["InChIKey:VZPXDCIISFTYOM-UHFFFAOYSA-K", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)[O-])c4)n3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+].[Na+]"]}
{"name": "Phospholipase A2, membrane associated", "xref": ["CHEMBL.TARGET:CHEMBL3686"], "id": "UniProtKB:P14423", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGPFLJVFCCOOEO-UHFFFAOYSA-N", "SMILES:S=C=Nc1ccc(CCc2ccc(N=C=S)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVAKAWZWDSJCN-UHFFFAOYSA-J", "SMILES:Cc1ccc(C(=O)Nc2cc([SH](=O)(O)O)cc3ccc([SH](=O)([O-])[O-])cc23)cc1NC(=O)Nc1cc(C(=O)Nc2cc([SH](=O)(O)O)cc3ccc([SH](=O)([O-])[O-])cc23)ccc1C.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUUJGOJDGJFJZ-SZACSUEHSA-N", "SMILES:CCCCNc1nc(SCCC)nc2c1ncn2[C@@H]1O[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMYLDOMXZAGLW-YYHBSISBSA-N", "SMILES:CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1O[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWSWSFUMHHGBOX-UVFUQWLHSA-N", "SMILES:CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVVNOCOOLKEPU-SSDGSGIASA-N", "SMILES:CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](c4nnn[nH]4)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHDMSNZRDFPYNQ-FQEVSTJZSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(C)(C)C(=O)OCC)c3ccc(C)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCBLPJPMVOVJCO-SFHVURJKSA-N", "SMILES:CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(C)(C)C(=O)O)c3ccc(C)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZLTXYPMVKYMZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(c1)SC1=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc3nc4ccc(OCC)cc4s3)=C(O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZRXTTYJQMKSRF-UHFFFAOYSA-M", "SMILES:Nc1c(C(=O)O)cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KURWUCJJNVPCHT-PGXCWKBOSA-J", "SMILES:Cc1nc(/N=N/c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c(COP(=O)([O-])[O-])c(C=O)c1O.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2219665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBPUONUZZVJFQ-ISLYRVAYSA-N", "SMILES:Cc1nc(/N=N/c2cc([N+](=O)[O-])ccc2Cl)c(COP(=O)(O)O)c(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYCSQYPGGJSRN-ISLYRVAYSA-N", "SMILES:Cc1nc(/N=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(COP(=O)(O)O)c(C=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBHCOJXXIXZMO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLXNCEJKEWNGNI-UHFFFAOYSA-N", "SMILES:CCc1cccc(NC(=O)N2CCc3nc(-c4ccc5c(c4)OCO5)nc(-c4ccccc4C)c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLHJCPBKMEEFY-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)NCCCCCCn2cc(CCCCN3CCC(c4ccc(-c5cc(C(=O)O)cc6cc(-c7ccc(C(F)(F)F)cc7)ccc56)cc4)CC3)nn2)ccc1-c1c2ccc(=N)c(S(=O)(=O)O)c-2oc2c(S(=O)(=O)O)c(N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOYPQZASFVMBOQ-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1C(c1ccccc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCPGCKQLIHGSCJ-UHFFFAOYSA-N", "SMILES:CCC(c1ccccc1)c1c(O)c2ccc(OC)cc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BELIREYRIBKICY-BHETYADTSA-N", "SMILES:CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(N[C@@H](C)C(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXWPNILFQDFMJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(O)c(C(c3ccccc3)C3CC3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HALPINAQGOXQAN-UHFFFAOYSA-N", "SMILES:CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL120225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEZCXJJIUHKKH-ZFOVLNDVSA-N", "SMILES:CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVMPYOOGNYJBJ-UHFFFAOYSA-N", "SMILES:CCC(c1cccc(NS(=O)(=O)c2ccc(C#N)cn2)c1)c1c(O)c2c(oc1=O)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYHGUIDBOZDPO-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCCCc1c(O)c2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNWABPJIBXECJ-UHFFFAOYSA-N", "SMILES:CC(=O)CC(c1ccccc1)c1c(O)c2ccc(C)c(C)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3186626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBPKHVCBGWWGO-NDEPHWFRSA-N", "SMILES:Cc1cc(SC2=C(O)C[C@@](CCc3ccc(N)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGHYHEXRSFIVOQ-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1CCCOc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUAKYFVSJCXPJ-UHFFFAOYSA-N", "SMILES:CCCC1(CCC)CC(O)=C(C(c2ccccc2)C2CC2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLYKUIUJEAYAOR-UHFFFAOYSA-N", "SMILES:O=c1oc(-c2ccccc2)cc(O)c1C(SC1CCCC1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMMHYWMOZXVKBQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCC1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWVMLEVADZPJBJ-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(-c2cc(O)c(SCCc3ccccc3)c(=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKKDJUEVYKLOT-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1C(c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBLNKXDECGBIDN-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2c(O)c(C(c3ccccc3)c3c(O)c4cc(CCCCCC)c(O)cc4oc3=O)c(=O)oc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVJZDNNUGJQRS-SREVYHEPSA-N", "SMILES:O=c1oc2cc(O)ccc2c(O)c1C(c1ccc(/C=C\\c2ccccc2)cc1)c1c(O)c2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2005069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUGKUQFLVGMDAZ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c(O)c1C(c1ccc2ccccc2c1)c1c(O)c2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL238297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGWIGGMSOWGWLR-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1C(c1ccccc1)c1c(O)c2ccccc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL64744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHMYFPBBDCWSY-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1979657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDZPJCHQJIERW-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL418131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHZAWTVDPWVVBY-UHFFFAOYSA-N", "SMILES:O=c1oc2c(-c3ccccc3)cccc2c(O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLSNVVVTKCREAW-UHFFFAOYSA-N", "SMILES:O=c1oc2cccc(O)c2c(O)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRHGSCFLDXVUNI-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1C(c1ccc2c(c1)OCO2)c1c(O)c2ccccc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLUHYNVTIYAKS-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1Sc1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJOZVTXHSREPPH-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c(O)c1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBSZXNSPBPDEC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(C(C)=O)C(c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403060", "category": ["biolink:ChemicalEntity"], "name": "(+)-CORDATOLIDE A", "xref": ["InChIKey:VFKOXOKVQKGOTG-UVWXRNBGSA-N", "SMILES:Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL263086", "category": ["biolink:ChemicalEntity"], "name": "CALANOLIDE C", "xref": ["InChIKey:NIDRYBLTWYFCFV-IUUKEHGRSA-N", "SMILES:CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@H](C)[C@@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL7121", "category": ["biolink:ChemicalEntity"], "name": "(+)-CALANOLIDE B", "xref": ["InChIKey:NIDRYBLTWYFCFV-SEDUGSJDSA-N", "SMILES:CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL269090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVBDUZROQMWRN-VXGBXAGGSA-N", "SMILES:CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL132692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXENDTPSKAICGV-QTCYRWPVSA-N", "SMILES:C[C@@H]1[C@H](O)c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL337029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXENDTPSKAICGV-LKBUQDJMSA-N", "SMILES:C[C@H]1[C@H](O)c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL422798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXENDTPSKAICGV-ZMOMAAQPSA-N", "SMILES:C[C@@H]1[C@@H](C)Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@@H]1O)OC(C)(C)C=C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5286193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKOXOKVQKGOTG-GLKRBJQHSA-N", "SMILES:Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL267447", "category": ["biolink:ChemicalEntity"], "name": "CALANOLIDE A", "xref": ["InChIKey:NIDRYBLTWYFCFV-FMTVUPSXSA-N", "SMILES:CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3O"], "synonym": ["Calanolide a", "NSC-650886"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIOCUJEHGGEEP-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)cc(N2CCC(C3c4ccccc4-c4ccccc43)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXXIRZMWMQULY-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC(C2c3ccccc3-c3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWKYDSTYDOMPPO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nc(SCCN(O)C(N)=O)nn2-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJVRHASSEXXRAS-GOTSBHOMSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(N[C@@H](Cc1ccccc1)C(=O)OCC)OCOCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVEJXOKUHHMFKS-QZADJUIDSA-N", "SMILES:CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@@H]1OC(C(=O)N[C@H]2CCC[C@@H](C)NC2=O)=C[C@@H](O)[C@H]1O)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURGDQCDJJEGGD-QYJMZRRXSA-N", "SMILES:COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O[C@@H](C(N)=O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2OC)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5271984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVQDWIBHLGBGN-GXQLDFSKSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)N/C=C1\\O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHKMZCFWQGFRP-QIUGDOEESA-N", "SMILES:C[C@@H](NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)N[C@H](C(=O)N/C=C1/C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1)[C@H](C)N(C)C(=O)[C@@H](N)CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MASRBPGCBQGLTN-XKYXEJCGSA-N", "SMILES:C[C@H](N)C(=O)N(C)CCOC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBRVJALUYHKEOH-RYEZTZEQSA-N", "SMILES:CCCCCCCCCNCC(O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNRCKGTNKUSFH-PJXXCCFTSA-N", "SMILES:NC[C@H]1O[C@@H](OC[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYHNIQKNWBWLD-MCUODEJNSA-N", "SMILES:CCCCCCCNCC(O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYENEOMCTPEMEI-YFXMMCPQSA-N", "SMILES:CCCCCCCCCCCCCNCC(O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGQGGIXOLDAQPJ-JXHPLLHESA-N", "SMILES:NC[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPZJFAPOGIBGZ-PJXXCCFTSA-N", "SMILES:NC[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBZIELVFLZEAJZ-UCALSWRLSA-N", "SMILES:CCCCCCCCCCCNCC(O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIALOLCQVZARHB-KUCVQZNWSA-N", "SMILES:CCCCNCC(O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOZBPIXNVBSFL-LDRFSWIBSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](Cc2cn(CCCCCCCCCCOc3ccc(C(=O)c4ccccc4)cc3)nn2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXVYVURINIITCR-NSBLWWESSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](Cn2cc(Cc3ccc(COc4ccc(C(=O)c5ccccc5)cc4)cc3)nn2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGNYFMQIUHESL-VFZFMDEVSA-N", "SMILES:CCCCCCCCCCc1cn(C[C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVCWSXPZKPUAAY-NSBLWWESSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](Cn2cc(CCCCCCCCOc3ccc(C(=O)c4ccccc4)cc3)nn2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGXONQQLSSPKM-ZDWXAQADSA-N", "SMILES:CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@@H]1OC(C(=O)N[C@H]2CSC[C@@H](C)NC2=O)=C[C@@H](O)[C@H]1O)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL357505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDMZIJWDRSBMIS-RBUSVLPKSA-N", "SMILES:CNC[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL147455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRKPSJFMWNAHDA-RBUSVLPKSA-N", "SMILES:N/C=N/C[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNLJOSHGYUNFSY-JXHPLLHESA-N", "SMILES:N=C(N)NC[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFQARAORPOXDHX-BQKAZMJOSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](Cc2cn(Cc3ccc(COc4ccc(C(=O)c5ccccc5)cc4)cc3)nn2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXIHCWOUEXYVFX-JOUCFGCLSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](Cc2cn(CCCCCCCCCCc3ccccc3)nn2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4577355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRYICSVYCWBKOC-SHZCGIDUSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](Cn2cc(CCCCCCCCCCc3ccccc3)nn2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXVKABRRVJCRS-KQXJDBLFSA-N", "SMILES:CCCCCCCn1cc(C[C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSOKIUKJKZSLZ-TZAJGVHHSA-N", "SMILES:CC(C)[C@H](NC(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCN[C@@H](CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)C(=O)O)[C@@H](O)C(C)C)[C@@H]1CCNC(=N)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSBMSLOIQDFIX-AFGQFFKVSA-N", "SMILES:CO[C@H]1[C@@H](OC)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@@H]1OC(C(=O)NCCSSCCNC(C)=O)=C[C@@H](O)[C@H]1O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDANUNJCYBTAT-MWRVJPDDSA-N", "SMILES:C[C@@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](Cn2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBZRPKUAIDSYKA-MTNFPTKESA-N", "SMILES:CCC(C)C(N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O"]}
{"name": "Methionine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL3367"], "id": "UniProtKB:P00959", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXDQVBDUIILNZ-VKISENBKSA-N", "SMILES:CSCC[C@H](N)C(=O)OC[C@H]1O[C@@H](Cn2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVJEMXWEODCAY-JVEUSOJLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H]2CCCN2)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5279127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVJEMXWEODCAY-FGOODDOWSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H]2CCCN2)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5291357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXJYLDHTEWLETG-WGPHNUAWSA-N", "SMILES:NC(=O)CCC(N)COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"name": "Glutamine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL5291592"], "id": "UniProtKB:P00962", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPLQTJONVAEGAF-UIOOFZCWSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(N[C@@H](Cc1ccccc1)C(=O)OC(C)C)OCOCCn1cnc2c(N)nc(F)nc21"]}
{"name": "Alpha-1-antichymotrypsin", "xref": ["CHEMBL.TARGET:CHEMBL5960"], "id": "UniProtKB:P01011", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVDWWQGUAKZRTM-AFMDSPMNSA-N", "SMILES:COc1cc(OC)c(C(=O)c2ccc(OC)c(OC(=O)CCC(=O)OC[C@@H]3C=C[C@H](n4cc(C)c(=O)[nH]c4=O)O3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGZHYQIHUJPKH-NZQKXSOJSA-N", "SMILES:COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)CCC(=O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNOGNRXVEZWFEU-XUZZJYLKSA-N", "SMILES:COc1cccc(C(=O)c2ccc(OC)c(OC(=O)CCC(=O)OC[C@@H]3C=C[C@H](n4cc(C)c(=O)[nH]c4=O)O3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYVFGQVIZOKXTN-KCJUWKMLSA-N", "SMILES:C[C@H](CS)C(=O)N1c2ccccc2C[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFQRQONIFUVVEI-SKDRFNHKSA-N", "SMILES:C[C@H](CS)C(=O)N1c2ccccc2CC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGPVPYTXHNOSO-SKDRFNHKSA-N", "SMILES:C[C@H](CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBBMPDGVLNWHA-UHFFFAOYSA-N", "SMILES:O=C(O)C1c2ccccc2CCN1C(=O)CCS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL61916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMGKNMLYAQKRNE-UHFFFAOYSA-N", "SMILES:CC(CS)C(=O)N1CCc2ccccc2C1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIULVJZBDAPFFD-UHFFFAOYSA-N", "SMILES:CC(CS)C(=O)N1Cc2ccccc2C1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIQRUJVVMJSAK-UHFFFAOYSA-N", "SMILES:O=C(O)C1Cc2sccc2CN1C(=O)CCS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXZPZAQMOQPHW-ZDUSSCGKSA-N", "SMILES:O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CCS"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUKQMSYVQGXHKG-JVPBZIDWSA-N", "SMILES:C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1733", "category": ["biolink:ChemicalEntity"], "name": "QUINAPRILAT", "xref": ["InChIKey:FLSLEGPOVLMJMN-YSSFQJQWSA-N", "SMILES:C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O"], "synonym": ["Quinaprilat", "Quinaprilate", "Quinapril diacid", "Quinapril diacid", "Quinapril related compound b", "Quinaprilat", "CI-928", "NSC-759825", "Quinaprilat", "Quinapril related compound b"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1201405", "category": ["biolink:ChemicalEntity"], "name": "MOEXIPRILAT", "xref": ["InChIKey:CMPAGYDKASJORH-YSSFQJQWSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)O)[C@H](C(=O)O)C2"], "synonym": ["Moexiprilat", "Moexiprilate", "Moexipril related compound a", "Moexiprilat", "RS-10029", "Moexipril related compound a"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQEUYWFUMYARGJ-YSSFQJQWSA-N", "SMILES:C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCc2ccccc2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1581", "category": ["biolink:ChemicalEntity"], "name": "PERINDOPRIL", "xref": ["InChIKey:IPVQLZZIHOAWMC-QXKUPLGCSA-N", "SMILES:CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC"], "synonym": ["Perindopril", "Perindopril", "Perindopril", "Perindopril", "Perindopril", "MCN-A-2833", "S-9490", "Perindopril"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1192519", "category": ["biolink:ChemicalEntity"], "name": "BENAZEPRILAT", "xref": ["InChIKey:MADRIHWFJGRSBP-ROUUACIJSA-N", "SMILES:O=C(O)CN1C(=O)[C@@H](N[C@@H](CCc2ccccc2)C(=O)O)CCc2ccccc21"], "synonym": ["Benazeprilat", "Benazeprilate", "Benazepril diacid", "Benazepril diacid", "Benazepril related compound c", "Benazeprilat", "CGS 14831", "CGS-14831", "Benazeprilat", "Benazepril related compound c"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL51576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCPVOGSIRZPBGD-ROUUACIJSA-N", "SMILES:O=C(O)CN1Cc2ccccc2C[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXFDFMUHPWCDX-WMZOPIPTSA-N", "SMILES:O=C(O)CN1C(=O)[C@@H](NC(=O)[C@@H](S)Cc2ccccc2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL287896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFYVNRABGRTNY-UBHSHLNASA-N", "SMILES:C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACOVYDVQRXMCG-BEVDRBHNSA-N", "SMILES:C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL50582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOWZMCEUUDPTM-YJLNNSPDSA-N", "SMILES:C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSMLLXRBFIIDE-CFVMTHIKSA-N", "SMILES:C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCYSYHTHBKDTL-FHWLQOOXSA-N", "SMILES:O=C(O)[C@H](CCc1ccccc1)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWOGZOSEJBONX-KMAVCZJNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIWRWPXUDHZKIO-WOZUAGRISA-N", "SMILES:O=C(N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIWRWPXUDHZKIO-JSXRDJHFSA-N", "SMILES:O=C(N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@H](S)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL298827", "category": ["biolink:ChemicalEntity"], "name": "(S)-THIORPHAN", "xref": ["InChIKey:LJJKNPQAGWVLDQ-SNVBAGLBSA-N", "SMILES:O=C(O)CNC(=O)[C@@H](CS)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZDSEQUNZGMJPF-MJBXVCDLSA-N", "SMILES:O=C(CS)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBISCMSFNLVRV-MLCQCVOFSA-N", "SMILES:CC(C)C[C@@H](C(=O)O)N1CCO[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFPBDCIKVMSRDU-KJJMTIBFSA-N", "SMILES:O=C(O)[C@H](CCc1ccccc1)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISWGINCJUEDBR-OALUTQOASA-N", "SMILES:O=C(O)CN1Cc2ccccc2C[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSZLSBZJCTXKA-FKBYEOEOSA-N", "SMILES:CC(C)C[C@@H](C(=O)O)N1Cc2ccccc2C[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL353408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJMAXPIMRQEJF-LJADHVKFSA-N", "SMILES:CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1Cc2ccccc2C[C@H](NC(C)=O)C1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBLLBXKYLXOGGR-ZTTXAYQISA-N", "SMILES:CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL350358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVBRROKTJAJURJ-SDCRPUFZSA-N", "SMILES:CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CC[C@H](c2ccccc2)[C@H](NC(C)=O)C1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMKDQAKGRTYNQ-QYOWEKFHSA-N", "SMILES:C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N1Cc2ccccc2C[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSEBJMALANNKSB-ABNZPDLFSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1Cc2ccccc2CN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHXKXFKXYLMONI-BUCGATJHSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@]12Cc1ccccc1CN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHXKXFKXYLMONI-GWWKZWJGSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@]12Cc1ccccc1CN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFWURPIOGZMEAS-UHWAGTMBSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXGWOFUQYJXKR-YAAJFYFJSA-N", "SMILES:N=C(N)NCCCC(NC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRPRDXXCSGEGJN-OXSNBEAZSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFWURPIOGZMEAS-RMUUSQKXSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCAYKFUAMUWLIJ-SFGQYLDMSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CN1Cc2ccccc2C[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)C1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZROUJGDEBTYVNO-SDSNQROBSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CN1C(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)CSc2ccccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028850", "category": ["biolink:ChemicalEntity"], "name": "ICATIBANT", "xref": ["InChIKey:QURWXBZNHXJZBE-SKXRKSCCSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C[C@@H]2CCCC[C@@H]21"], "synonym": ["Icatibant", "Icatibant", "Icatibanto", "Icatibant", "Icatibant"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5272490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSEBJMALANNKSB-QYXLUQSISA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXMLVFIAQPQNAI-OOUWWXBHSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1COc2ccccc2N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXJQZOZFDCAXRY-OOUWWXBHSA-N", "SMILES:N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCAYKFUAMUWLIJ-XRVYRRKFSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CN1Cc2ccccc2CC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)C1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXZBURQRHWMDJA-IGACTBKVSA-N", "SMILES:N=C(N)NCCCC(NC(=O)CN1CCCCC2(CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)C1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMKDQAKGRTYNQ-ASBGUQOISA-N", "SMILES:C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N1Cc2ccccc2C[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRDHXPSHOMSVLE-SORIKHJUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SABQDASAXNMNEJ-VKKPCDSNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)c1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STXZSDHRSQCBKH-ZYGUQULWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C1Cc2ccc(O)cc2CN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YELPEZQJDLFVEZ-ZYGUQULWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C1Cc2cc(O)ccc2CN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZYGHQAPKGPYCV-SROXYHECSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C1(NC(=O)[C@@H](N)C(C)C)CCc2cc(O)ccc2C1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBGVXEUMARKABQ-XBHRORRWSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NC1(C(=O)O)CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQWKZPCSYTYDA-DZUOILHNSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NC1(C(=O)O)Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPJTBOQZNQAGB-JPEOBFQCSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUUZQMYCJFEYMK-OPCFCOGGSA-N", "SMILES:CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(C(=O)O)C(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUGKXQMYRZZSFJ-QIAFELRXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H]1Cn2nncc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPRWZFIOAUINZ-AGAFZLDISA-N", "SMILES:CCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)N1Cc2[nH]c3ccccc3c2C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CN)C(C)C)[C@@H](C)CC)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFCIXKAZBUIFTR-PKIMSIDOSA-N", "SMILES:C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)N1CCC(n2c(O)nc3ccccc32)CC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTCWEYGKGQOXIE-LAHIFKPXSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVJOCSJTEDJDMM-QRFFDHBKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)O"]}
{"name": "Substance-P receptor", "xref": ["CHEMBL.TARGET:CHEMBL4027"], "id": "UniProtKB:P14600", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUHXMARLBETGC-UVTDLJFLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRXRNLMJKVGPV-UVTDLJFLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIXFCVZSYXAJPR-FJSUVOSGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)[C@H]1CCc2ccccc21)C(=O)N[C@@H](CCSC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWNDZEBBZWNYCL-CPMBYVPVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCSC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22870", "category": ["biolink:ChemicalEntity"], "name": "L-732138", "xref": ["InChIKey:BYYQYXVAWXAYQC-IBGZPJMESA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCARYOWLPOIJH-FQEVSTJZSA-N", "SMILES:CC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTKCJKWJDHOHE-SMCANUKXSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBBYHCWXIRZMV-UHFFFAOYSA-N", "SMILES:CC(=O)NC1(C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCc2[nH]c3ccccc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPDRFDLRYVDNH-SZVSUXHCSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NC1(C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CNc2[nH]c3ccccc3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVUOMESIOOEXGA-MATBRXERSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2Cc3ccccc3CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL349816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZLANUHRXGDET-CCKFTAQKSA-N", "SMILES:C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHJIURYXALSGX-MLCQCVOFSA-N", "SMILES:NC(=O)[C@@H]1CCC(=O)NCCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFKXNEKIMXIPLT-VABKMULXSA-N", "SMILES:NC(=O)[C@@H]1CCC(=O)NCCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NC2(Cc3ccccc3C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZYUFPDOTMWDCQ-MKBKMZGTSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)Cc2ccccc2C1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNHUKCXDFRUWSK-FUMNGEBKSA-N", "SMILES:CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)C(F)(F)[C@H](O)[C@H]3O)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDPQPVYVGPJFJ-DFGXFYAUSA-N", "SMILES:CC(C)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@@H](C)c2c(O)cc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNYKHMBLYKWFH-ULQDDVLXSA-N", "SMILES:CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](CO)c2c(O)cc(C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIXQKODVUFKCDW-HNNXBMFYSA-N", "SMILES:CC(C)=CCC[C@H](C)c1cccc2c(O)cc(C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIZUFAHBCEPGU-SFUIVIKGSA-N", "SMILES:CC(C)=CCC[C@H](C)[C@H]1c2cc(C)cc(O)c2[C@H](C)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNAULGVROLOSBS-QMMMGPOBSA-N", "SMILES:CCOC(=O)[C@H](CO)NC(=O)c1cccc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFIGAKAIRPKISR-JTQLQIEISA-N", "SMILES:CCOC(=O)[C@H](CO)NC(=O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQAIFQANRQSOD-VIFPVBQESA-N", "SMILES:CCOC(=O)[C@H](CO)NC(=O)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDZQSUJSRRLAK-JTQLQIEISA-N", "SMILES:CCOC(=O)[C@H](CO)NC(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBWFFODNNJIHY-JTQLQIEISA-N", "SMILES:CCOC(=O)[C@H](CO)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRBSFHSUWBAYCI-UHFFFAOYSA-N", "SMILES:CN1CC2CCC(C1=O)C2c1ncc2[nH]nc(-c3cnn(C)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEJWDMSZDBYDME-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc3[nH]nc(-c4cnn(C)c4)c3n2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTGSNZODFVWKQQ-UHFFFAOYSA-N", "SMILES:CC1CN(C)C(=O)CN1c1ncc2[nH]nc(-c3cnn(C)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGOVIODTPNPDG-UHFFFAOYSA-N", "SMILES:CC1C(=O)N(C)CCN1c1ncc2[nH]nc(-c3cnn(C)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTXSLPBJFPSIK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc3[nH]nc(-c4cnn(C)c4)c3n2)C(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRAIKNMMVANOT-UHFFFAOYSA-N", "SMILES:CCN1CC2CCC(C1=O)C2c1ncc2[nH]nc(-c3cnn(C)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOKCEBWVSDFXDG-UHFFFAOYSA-N", "SMILES:CC(C)N1CC2CCC(C1=O)C2c1ncc2[nH]nc(-c3cnn(C)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSGZLYQYCKWGW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3cnc(C4C5CCC4C(=O)N(CCF)C5)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTUALPNFLPOLQ-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2n[nH]c3cnc(C4C5CCC4C(=O)N(C)C5)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAUIQKWTJOKQNN-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2n[nH]c3cnc(C4C5CCC4C(=O)N(C)C5)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVXYKYUDFKFQSI-UHFFFAOYSA-N", "SMILES:COCCn1cc(-c2n[nH]c3cnc(N4C5CCC4C(=O)N(C)C5)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSRBAFLNXOUPIC-UHFFFAOYSA-N", "SMILES:CN1CC2CCC(C1=O)N2c1ncc2[nH]nc(-c3cnn(CCN4CCOCC4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAQYPYDRFILMT-UHFFFAOYSA-N", "SMILES:CN1CC2CCC(C1=O)N2c1ncc2[nH]nc(-c3cnn(C4CC4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXJWXQVCCWDQJS-UHFFFAOYSA-N", "SMILES:CN1CC2CCC(C1=O)N2c1ncc2[nH]nc(-c3cnn(C4CCC4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUNLCPJHEDEUQO-UHFFFAOYSA-N", "SMILES:CN1CC2CCC(C1=O)N2c1ncc2[nH]nc(-c3cnn(C4CCOCC4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEASMTXYHOIFG-NYKLAOPUSA-N", "SMILES:CN1CC2CCC(C1=O)N2c1ncc2[nH]nc(-c3cnn([C@H]4CC[C@H](O)CC4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXJWXQVCCWDQJS-DZGCQCFKSA-N", "SMILES:CN1C[C@@H]2CC[C@H](C1=O)N2c1ncc2[nH]nc(-c3cnn(C4CCC4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCRMPRRGCYUVCE-WZONZLPQSA-N", "SMILES:C#CCCC1(CCC(=O)N(C)[C@@H]2CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQCQSKKZIRXFW-MHEUCROKSA-N", "SMILES:O=C1N[C@H]2C[C@@H](C2)OCc2cccc(n2)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJMXICGJKUALLN-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3C)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNVVTSSPSNFSCT-IBGZPJMESA-N", "SMILES:C=CC(=O)N1CCC[C@H](n2nc(-c3c(C)cc(Oc4ccccc4)cc3C)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEBNBAKSFFCPW-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(SCCc3c[nH]c4ccccc34)nnc2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZUDXKVLLJMQV-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-n1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COGKKBFAXIHFCH-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2c(SCCc3c[nH]c4ccccc34)nnc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRGPSZOCHIVLO-DYVQZXGMSA-N", "SMILES:CC#CCn1c(N2CCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN(C)C(=O)CCc3cc(Cl)c(Oc4ccncc4C(=O)N4CCN(C5CC5)c5ccccc54)cc3Cl)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIFLYOUKDGRENC-UHFFFAOYSA-M", "SMILES:CN(CC[N+](C)(C)C)C(=O)CCc1cc(Cl)c(Oc2ccsc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3973684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNHPDWGIXIMXSA-PIYFIQLCSA-N", "SMILES:CN1Cc2c(Cl)cc(Cl)cc2[C@@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL462653", "category": ["biolink:ChemicalEntity"], "name": "ISOSTEVIOL", "xref": ["InChIKey:KFVUFODCZDRVSS-XGBBNYNSSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(CC1=O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4870394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTGKEKQZGKXDC-XNRDYXSJSA-N", "SMILES:COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYSMOKWYNTVFB-RHSMJXSCSA-N", "SMILES:CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTWMOTYZVWINSI-PZRBEPACSA-N", "SMILES:CCCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWVHEUBCVSWMKE-RHSMJXSCSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCCBr)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDKJRNVWAXUNQ-KEPNZDNYSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCCCCBr)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGKOIECCTGOHFV-MLKDGHKFSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCCCCCBr)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4875438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOQJPWDEPMKPSG-FIVJYGDRSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCc3ccccc3)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHRCPOYQUXLEN-FIVJYGDRSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCc3ccccc3Cl)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMYBUATPABWRP-FIVJYGDRSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCc3ccccc3Br)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCRLFZVWDDADLI-FIVJYGDRSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCc3ccccc3I)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUIBBRYZUBXDZ-PUCDVXMCSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCc3cccc(C#N)c3)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXAAURPSIJTGG-PUCDVXMCSA-N", "SMILES:Cc1ccc(COC(=O)[C@]2(C)CCC[C@@]3(C)[C@@H]4CC[C@@]5(C)C[C@]4(CC[C@@H]32)CC5=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXQMEZSXSBDBKA-FIVJYGDRSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCc3ccc(Br)cc3)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594630", "category": ["biolink:ChemicalEntity"], "name": "ISOSTEVIOL OXIME", "xref": ["InChIKey:VAPPWLUSZRLUPV-AKWMADHGSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(C/C1=N\\O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMALUWGOWZYSCJ-PSAYVOGOSA-N", "SMILES:CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C/C4=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDZLCGMWAQSRJ-KVRWZVKWSA-N", "SMILES:CCCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C/C4=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORWKBRDCBOHHD-FIVJYGDRSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCCN3CCCCC3)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDNFHEBSODTWQH-DCWXTMKTSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCCN3CCNCC3)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVMKUPCVHMXEQ-VNIGDMRNSA-N", "SMILES:C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OCCCCN3CCCCC3)(CC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGKWLARXRKYNL-AHGYUKOXSA-N", "SMILES:Cc1ccc(S(=O)(=O)N/N=C2/C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]2(C)C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2331589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSADACRWWVVNQF-QIVLDXRCSA-N", "SMILES:CC(=O)O[C@@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@]1(C)C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL518780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENGJHUJOCOEKU-ZWFNYGPUSA-N", "SMILES:CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](Br)C4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYIJAYETWCBAJ-QIVLDXRCSA-N", "SMILES:CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C[C@H]4O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZIXJHGGRDUBGX-OFPBPYSDSA-N", "SMILES:CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C[C@H]4OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHICFGKTMNVNGG-OFPBPYSDSA-N", "SMILES:CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C[C@H]4OC(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMQIMZNQIZNHP-KVRWZVKWSA-N", "SMILES:CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C/C4=N\\OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKELWWSUZXKVGJ-LGVQVEGZSA-N", "SMILES:CC(C)C[C@H]1CN(CC(=O)NCCC(=O)N[C@@H](CCCCNC(=S)Nc2ccccc2)C(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](CC(C)C)CN(C(=O)CC2CC2)CC(=O)N[C@@H](CCCCN)CN(C(=O)CCc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)CCC2CCCCC2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIPLJNOPDSIJLA-NPLZVCTMSA-N", "SMILES:CC(C)C[C@H]1CN(CC(=O)NCCC(=O)N[C@@H](CCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)C(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](CCCCN)CN(C(=O)CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)CN(C(=O)CCC2CCCCC2)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)Cc2ccc3ccccc3c2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZAKNKYTTOPFOS-VZDLBADFSA-N", "SMILES:CC(C)C[C@H]1CN(CC(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](CCCCN)CN(C(=O)CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)CN(C(=O)CCC2CCCCC2)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)Cc2ccc3ccccc3c2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKZDSKVYIAWODI-YKDOIGRJSA-N", "SMILES:CC(C)C[C@H]1CN(CC(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](CC(C)C)CN(C(=O)CC2CC2)CC(=O)N[C@@H](CCCCN)CN(C(=O)CCc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)CCC2CCCCC2)CC(=O)N1"]}
{"name": "Prostaglandin E2 receptor EP2 subtype", "xref": ["CHEMBL.TARGET:CHEMBL4909"], "id": "UniProtKB:Q62928", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPAYBXVXXBSKP-SEPHDYHBSA-L", "SMILES:O=S(=O)([O-])c1cc(N=C=S)ccc1/C=C/c1ccc(N=C=S)cc1S(=O)(=O)[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FECUKAQKBJOSJW-TXOOBNKBSA-L", "SMILES:N#Cc1ccc(/C=C/c2ccc(C#N)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPOCTJWFVNXTQ-SEPHDYHBSA-L", "SMILES:O=S(=O)([O-])c1cc(I)ccc1/C=C/c1ccc(I)cc1S(=O)(=O)[O-].[K+].[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYYTIDWAIQGHI-SEPHDYHBSA-L", "SMILES:[N-]=[N+]=Nc1ccc(/C=C/c2ccc(N=[N+]=[N-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZBNZMFCHRNQP-CZEFNJPISA-L", "SMILES:COc1ccc(C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)c4ccc(OC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDEWJBLWKZNDQM-YHPRVSEPSA-L", "SMILES:O=C(Nc1ccc(/C=C/c2ccc(NC(=O)Oc3ccccc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)Oc1ccccc1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPAWAMRXPHRVQY-WTVBWJGASA-L", "SMILES:CC(=O)Nc1ccc(/C=C/c2ccc(N=C=S)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQPQDZZHANYGD-CZEFNJPISA-L", "SMILES:N#Cc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDAWCXAJNESBF-YHPRVSEPSA-L", "SMILES:O=S(=O)([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1/C=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1S(=O)(=O)[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRPAASSVDIZIJI-MIIBGCIDSA-L", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOAKHFRFQHYJHK-UHFFFAOYSA-L", "SMILES:O=C(Nc1ccc(CCc2ccc(NC(=O)Oc3ccccc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)Oc1ccccc1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSMYYXLWJZEMP-VAWYXSNFSA-N", "SMILES:O=C(Nc1ccc(/C=C/c2ccc(NC(=O)Oc3ccccc3)cc2)cc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLOUMDSRFSCFPJ-WKIKYWDLSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZXZQBALMKXAAG-WKIKYWDLSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPTYPVVQEUNCDM-XKTPZEMDSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYFDMZWAQQKGI-WKIKYWDLSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC1CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTJDAUVJGXIPX-XKTPZEMDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICSQCFGUQLVCSR-NESDWSLYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@@H](CC(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSVERAEPFELCD-FEUOBOFCSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"name": "Periplasmic serine endoprotease DegP", "xref": ["CHEMBL.TARGET:CHEMBL5291593"], "id": "UniProtKB:P0C0V0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDYRDSXZTXQWHT-WKIKYWDLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQXDFLBLNTYCK-PBLYVPFHSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(C(=O)N[C@@H](C(C)C)P(=O)(Oc2ccccc2)Oc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMONGHVHAMWGIQ-WKIKYWDLSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGEMOPVGCGWDIA-PBLYVPFHSA-N", "SMILES:CC(C)[C@H](NC(=O)C1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCNC(=O)c2ccc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c2)CC1)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMINZGYDHKQQI-WKIKYWDLSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2430327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVNSXBXKNMWKEJ-UHFFFAOYSA-N", "SMILES:O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMLJWOLGMOTLG-UXBLZVDNSA-N", "SMILES:C/C1=C\\CCC(C)(C)C(C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEKFAPECJXSTI-CTIOIPOASA-N", "SMILES:C/C1=C\\C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3400936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKSXTSLBLCBNFG-WEVVVXLNSA-N", "SMILES:C/C1=C\\CCC(C)(O)C(C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQFBFKKGAWCQAU-XHHWIUDKSA-N", "SMILES:C/C1=C\\CC[C@H](C)[C@@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5279694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRFFCAFJIUGIEO-JPLLJOTMSA-N", "SMILES:C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCc1cn(CCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)nn1)C2(C)C"]}
{"name": "Transcription factor MafF", "xref": ["CHEMBL.TARGET:CHEMBL5291556"], "id": "UniProtKB:O54791", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVUUDEJHYJOLHF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUWYYHZWKPKEN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBCKUHXBFYTRTA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCOCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMGVAKVJOQQPW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REMSFRLFDPBHAC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMMWFVUNFDDOC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCWSYQPYOWLRT-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXNRAAQRFHINGN-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCOCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEHDOQCSDPEQW-UHFFFAOYSA-N", "SMILES:O=C(NCCF)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGPXOFDMXHDRB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc(OCC3CC3)c(C(=O)N3CC(F)C3)s2)ccn1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZRVWMIURIGAL-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NC(C)c3cc(-c4ccccc4N)cs3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPBIVYJDGIVPF-UHFFFAOYSA-N", "SMILES:CNCc1ccccc1-c1csc(C(C)Nc2ncnc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUKMIXXZZPZTMM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NC(C)c3cc(-c4ccccc4O)cs3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZBUFUMYQARYDD-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NC(C)c3cc(-c4ccccc4CNCCO)cs3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCVHXLPQHZKNU-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NC(C)c3ccc(-c4ccccc4N)s3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFGUUUICHFJPT-UHFFFAOYSA-N", "SMILES:CNCc1ccccc1-c1ccc(C(C)Nc2ncnc3cc(OC)c(OC)cc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHKUCFXARKISD-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NC(C)c3ccc(-c4ccccc4O)s3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBMGPPENNMGOO-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NC(C)c3ccc(-c4ccccc4CNCCO)s3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAWXKXGVXMEYNW-UHFFFAOYSA-N", "SMILES:CNCc1ccccc1-c1csc(C(C)Nc2nc(C)nc3cc4c(cc23)OCCO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRNJFVSYBQOLY-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(C)c2cc(-c3ccccc3CNCCO)cs2)c2cc3c(cc2n1)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFCUMLCSRWTDDD-UHFFFAOYSA-N", "SMILES:CNCc1ccccc1-c1ccc(C(C)Nc2nc(C)nc3cc4c(cc23)OCCO4)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZZVUIHUQLLJF-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(C)c2ccc(-c3ccccc3CNCCO)s2)c2cc3c(cc2n1)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETBATXISUUFBA-UHFFFAOYSA-N", "SMILES:CNCc1ccccc1-c1csc(C(C)Nc2ncnc3cc4c(cc23)OCCO4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXYUILDZLJSMU-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc2cc3c(cc12)OCCO3)c1cc(-c2ccccc2CNCCO)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMBSYPCYZSOKW-UHFFFAOYSA-N", "SMILES:CNCc1ccccc1-c1ccc(C(C)Nc2ncnc3cc4c(cc23)OCCO4)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDKIXAZGJHBSIJ-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc2cc3c(cc12)OCCO3)c1ccc(-c2ccccc2CNCCO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97485", "category": ["biolink:ChemicalEntity"], "name": "6-DIAZO-5-OXO-L-NORLEUCINE", "xref": ["InChIKey:YCWQAMGASJSUIP-YFKPBYRVSA-N", "SMILES:[N-]=[N+]=CC(=O)CC[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5286970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNLKKRMQOCPGG-UHFFFAOYSA-N", "SMILES:NNC(=O)c1cc(-c2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNFAEKJQCPIEMV-CTYIDZIISA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1cc(Cc2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSAFSLFKRRLNK-CTYIDZIISA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1cc(Cc2ccc(F)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDRWHAJRPREQV-JOCQHMNTSA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1cc(-c2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSLUWSVLHFSBS-KOMQPUFPSA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1cc(CCc2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPRGXLRKCOQHEZ-JOCQHMNTSA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1ncc(-c2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLIXWGHODIYTCM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Cn2cnc3c(NC(=O)c4ccc(C(=O)O)cc4)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHRHGGIMSIMAL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-n2cnc3c(NC(=O)c4ccc(C(=O)O)cc4)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEHCUCLQBZOABJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-n2cnc3c(NC(=O)Cc4ccc(C(=O)O)cc4)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXSRNEIEAFIWRY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Cn2cnc3c(NC(=O)Cc4ccc(C(=O)O)cc4)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKXJNBKEUXJQR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CC(=O)Nc2cccc3c2ncn3-c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APMWGYHWLLNBIR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CC(=O)Nc2cccc3c2ncn3Cc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEBNYPEWYRFFP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cccc3c2ncn3Cc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMKERVSIZTMFP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-n2cnc3c(-c4ccc(C(=O)O)cc4)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDDTZVJOFQWFPF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Cn2cnc3c(-c4ccc(C(=O)O)cc4)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPHAPZIKCGUXLJ-SFHVURJKSA-N", "SMILES:COc1ccc(F)c(N2CCC(Oc3ccc(N4CCC[C@H]4CC(=O)O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQABFNYIRETPN-GPDRCSLYSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OC)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWOUDFBKVSCMD-VNRYTLISSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OC(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPUAHZIVOSACH-ZAESVHBDSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@](C)(OC)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOQDYKVEAAMNHX-KVFVXYHUSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCOC)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYICVWZVIWDARI-NRVVDZMSSA-N", "SMILES:COc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYICVWZVIWDARI-SPMMERNZSA-N", "SMILES:COc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQFLJQTUHBCMY-GVFUOKNTSA-N", "SMILES:COc1ccc(F)c(N2C[C@@H](C)[C@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQFLJQTUHBCMY-JYAQBWJXSA-N", "SMILES:COc1ccc(F)c(N2C[C@@H](C)[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDICXGZSGKSGRS-IYDNLKSRSA-N", "SMILES:COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C(C)(C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLQZLCFVXHZUNG-TYYYZTEESA-N", "SMILES:COc1ccc(F)c(N2CC[C@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C[C@@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYIJLVIRQSKEY-QSWVLOPZSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEDMDIEYFJQFI-SBODMUILSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](CC)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCUVRMCZTYLXRC-IEGIPNOESA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](C(C)C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYUCWDGTMYUKIK-FFNNUVKFSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](CC(C)C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEVYDAYANDDMLY-JCAGLCPKSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUJNCWYQQOYLV-YBRBFLOUSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](c5ccccc5)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJSFLAWFGNKFEC-BNIKKZEQSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4CC(C)(C)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPAAQMJTUDGSS-ITZJAJSESA-N", "SMILES:COc1cc(N2CC[C@@H](Oc3ccc(N4CC[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVBKNRBBPCQEMF-HVTCLMGNSA-N", "SMILES:COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYIZNYHHAGFMBN-YLZPZURSSA-N", "SMILES:COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIUPVNMVKISNAG-DSBQABJBSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OC)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOIBKNSIPDPUKI-CEWBVGSFSA-N", "SMILES:COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](F)[C@@H](OC)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDFZNGVFGYXBP-QDPGVEIFSA-N", "SMILES:CCOc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](Oc5ccccc5)C[C@@H]4CC(=O)O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDUOWTOOBOEPQY-RNWIMVQKSA-N", "SMILES:CCOc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](Oc5cccc(OC)c5)C[C@@H]4CC(=O)O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXNHQJRGRHQLM-ATIYNZHBSA-N", "SMILES:CCOc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](OCCCOC)C[C@@H]4CC(=O)O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZLOVHNRCBOONY-FTYUDISHSA-N", "SMILES:CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCOC)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEBGUURUAFCIGS-UAVGYUILSA-N", "SMILES:COCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYEDDYIXSSPMEA-ICOBGVNFSA-N", "SMILES:CCCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCVYACWSRCBOZ-UAVGYUILSA-N", "SMILES:COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCC#N)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDSNECEJSAVMZ-HQHTXKLGSA-N", "SMILES:COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCC(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJSWRFGNLAKMZ-UAVGYUILSA-N", "SMILES:CCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOBZOKZWAIXTNP-HQHTXKLGSA-N", "SMILES:CCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLETZPKCWFWFDY-ICOBGVNFSA-N", "SMILES:CCOCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSWSXWGVLBVHR-UAVGYUILSA-N", "SMILES:COCCOCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZRCJJYFZRJIW-UBQPIHBDSA-N", "SMILES:COCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBDOODOEDXIXTC-GKVSMKOHSA-N", "SMILES:COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIUHMMLGAMMOO-OITFXXTJSA-N", "SMILES:COc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHUFXLJOIAHFQR-SKCCLWIMSA-N", "SMILES:NC(=O)c1cccc(-c2ccccc2NCC2CCN(C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)c1"]}
{"name": "NADPH oxidase organizer 1", "xref": ["CHEMBL.TARGET:CHEMBL5291596"], "id": "UniProtKB:Q8NFA2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNTWCVADOVPNJ-UHFFFAOYSA-N", "SMILES:Cc1c(CN(C)CC(O)c2ccc(O)cc2)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRWZKICFIPWGNY-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)sc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURWLZDQYCTDEM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1)c1cn2c(CCO)cc3cc(CN4CCOCC4)cc(c1=O)c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKROUMCSFNBCN-UHFFFAOYSA-N", "SMILES:CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cccnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPIRNCCIKRQLW-IBGZPJMESA-N", "SMILES:CC1(C)CN(C(=O)[C@H]2CC(=O)N(c3cccc(C#N)c3)C2)c2cc(Cl)c(Cn3ccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSRURJSPCVUTF-UHFFFAOYSA-N", "SMILES:NCCc1cc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASPQDLKJPEPPW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCCc1cc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUXULHVJHIDDAM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCCc1cc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKNTLQANSCMQG-UHFFFAOYSA-N", "SMILES:NCc1cc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGDNQKDAHVZHJ-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1cc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTRKCXWBRQFIHV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1cc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHFTSOMWOSFHM-WCBMZHEXSA-N", "SMILES:CC[C@H]1C(=O)OC[C@@H]1Cc1cncn1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URBYRAOLXWIITQ-ZCFIWIBFSA-N", "SMILES:O=C1C[C@@H](Cc2cnc[nH]2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUQEAFREKKPCG-XJZDMYKTSA-L", "SMILES:CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](CCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cn1C.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBNAIVMMLTXPW-VHJJEESRSA-L", "SMILES:CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](CCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cn1C.O=C[O-].O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGQZXVHUJLLJB-UHFFFAOYSA-M", "SMILES:CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[n+]1c[nH]c(CC2COC(=O)C2)c1.O=C[O-].O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUKCGMXZUCQIH-MDIFCVJKSA-L", "SMILES:CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](CCCCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cn1C.O=C[O-].O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTPWCHACNCAGN-OWNZYUDVSA-L", "SMILES:CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](CCCCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cn1C.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISGOENMILRBWBB-UHFFFAOYSA-L", "SMILES:Cn1c[n+](CCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1CC1COC(=O)C1.O=C[O-].O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313046", "category": ["biolink:ChemicalEntity"], "name": "PILOSININE", "xref": ["InChIKey:YOIFSTUAGLOWPB-SSDOTTSWSA-N", "SMILES:Cn1cncc1C[C@H]1COC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDKABQHBSLPIX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(C(=O)NNC(=O)CCN2CCN(C)CC2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLYGYPBXBRBRL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(C(=O)NNC(=O)CCN2CCOCC2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROTDOJSNAHYSFL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(C(=O)NNC(=O)CCN2CCCCC2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJNMMPAEIYFQIJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nnn[nH]3)ccc2N(CC(C)C)CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFPLKUIOWUYKE-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(C)C)c1ccc(-c2ccccc2C(=O)O)cc1NC(=O)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJOXNWLUKPUDW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(Oc3ccccc3C(C)(C)C)c(NC(=O)Nc3ccccc3F)c2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEIKLWOWRQAKV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(-c3ccccc3C(=O)O)ccc2OC(C(C)C)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMKCZOKFYYOJKM-KBMIEXCESA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(-c3ccccc3C(=O)O)ccc2O[C@@H]2CCCC[C@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFZHAXTYKOFDT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(OC(C(C)C)C(C)C)c(NC(=O)Nc3ccc(C)cc3)c2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAKPSXBSEIXTPN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)ccc2OC(C(C)C)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYRYMVYQSUKAK-UHFFFAOYSA-N", "SMILES:CCCC(CCC)Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYODUNYIATWXJO-UHFFFAOYSA-N", "SMILES:CCCOc1c(CCC)cc(-c2ccccc2C(=O)O)cc1NC(=O)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCPMUXOPKQHTIZ-UHFFFAOYSA-N", "SMILES:CCCOc1c(CCC)cc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Nc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKOMUKVJQRPHO-IZLXSDGUSA-N", "SMILES:C=C[C@H]1Oc2c(NC(=O)Nc3ccc(C)cc3)cc(-c3ccccc3-c3nn[nH]n3)cc2[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKOMUKVJQRPHO-NSOVKSMOSA-N", "SMILES:C=C[C@@H]1Oc2c(NC(=O)Nc3ccc(C)cc3)cc(-c3ccccc3-c3nn[nH]n3)cc2[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVHMEOMIDRYBQ-LJAQVGFWSA-N", "SMILES:C=CC1(C=C)Oc2c(NC(=O)Nc3ccc(C)cc3)cc(-c3ccccc3-c3nn[nH]n3)cc2[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVHZGPGBNUIKD-MHZLTWQESA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)cc3c2OC(C)(C)[C@H]3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASNVFRJXGIQNZ-JKZIFQNUSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)cc3c2O[C@@H](C)C/C=C\\[C@H]3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOVFZUVHHIXGV-NVQXNPDNSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)cc3c2O[C@@H](C)CCC[C@H]3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPDQICAVLKEAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)cc3c2OCC=CC3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQJLSONUOZSTDQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nc(=O)[nH]o3)cc3c2OCCCC3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJWCIIAFVQEQD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)cc3c2OCCCC3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYNPJKMWEXNIFL-OVCLIPMQSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)/C(=C\\c1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTGSTAOKPHFTO-RIYZIHGNSA-N", "SMILES:COC(=O)Nc1ccc2c(c1)/C(=C\\c1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGLCCFCTLCHUMF-XDHOZWIPSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccccc3)cc2/C1=C\\c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIEPPENHRPHOFP-VIZOYTHASA-N", "SMILES:COc1cc(/C=C2/C(=O)Nc3ccc(NC(C)=O)cc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKKNBZYECOLGO-RIYZIHGNSA-N", "SMILES:COC(=O)Nc1ccc2c(c1)/C(=C\\c1ccc([N+](=O)[O-])cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGQYEKBMIBUQS-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZSZORMRVQNRQZ-WUXMJOGZSA-N", "SMILES:O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZVSRKERIIHOL-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C12CC2c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYCMEUZISMOUCB-IZZDOVSWSA-N", "SMILES:Cc1n[nH]cc1/C=C1/C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZCIFBDWNONTAH-YRNVUSSQSA-N", "SMILES:O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\\c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIARFCKZBLITBD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(NC(=O)c4ccccc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHUFFDKMFLFDER-WZUFQYTHSA-N", "SMILES:CCOC(=O)c1[nH]ncc1/C=C1\\C(=O)Nc2ccc([N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5185154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTWXAFQZGEACT-UHFFFAOYSA-N", "SMILES:Nc1ccc(CC2C(=O)Nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDVFJMQBPCTBTO-IZZDOVSWSA-N", "SMILES:Cn1cc(/C=C2/C(=O)Nc3ccccc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRAGXHGWAKYIU-WDZFZDKYSA-N", "SMILES:COCC(=O)c1[nH]ncc1/C=C1\\C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL168276", "category": ["biolink:ChemicalEntity"], "name": "3,5-DINITROCATECHOL (OR-486)", "xref": ["InChIKey:VDCDWNDTNSWDFJ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLFQBDSTJATJY-UHFFFAOYSA-N", "SMILES:N#CCc1cc(O)c(O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337702", "category": ["biolink:ChemicalEntity"], "name": "OXIDOPAMINE", "xref": ["InChIKey:DIVDFFZHCJEHGG-UHFFFAOYSA-N", "SMILES:NCCc1cc(O)c(O)cc1O"], "synonym": ["Oxidopamine", "Oxidopamina", "Oxidopamine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL40212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWRYVJRKWPEFX-UHFFFAOYSA-N", "SMILES:NCCc1cc(O)c(O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWHYWYSMAPBHK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDSDBYUZFMVBW-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVIQLCLARMSGE-UHFFFAOYSA-N", "SMILES:N#CCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLLPHJYESMOAJV-UHFFFAOYSA-N", "SMILES:N#CCCc1cc(O)c(O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOIFAZUAPNXTIF-UHFFFAOYSA-N", "SMILES:CC(C(=O)NC1CCCCC1)(c1ccccc1)N(C(=O)Cc1cccs1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHEPRHNLTBJKJD-UHFFFAOYSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZMINXGQAXYZSF-UHFFFAOYSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGKGNSNLRIGZKH-UHFFFAOYSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOUATRAEWHCYOH-UHFFFAOYSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCOCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQJFPDDDKBWBAG-UHFFFAOYSA-N", "SMILES:O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXOLQFZJHGWHLM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERRUFOXNBPZPF-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2cccc3ccc(C(=O)NCc4ccc(C(=O)NO)cc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRPMIIFAHPIZMV-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2cccc3ccc(C(=O)NCc4ccc(C(=O)NO)cc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYJQMXUZTVSEOB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccc3cccc(OCc4ccc(F)cc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWQVPMUGMNEBZ-UHFFFAOYSA-N", "SMILES:COc1cccc2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNJJRLONMTPQV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)NC3CC3)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAHRZBYJYLDQAY-UHFFFAOYSA-N", "SMILES:Nc1cc(Cl)c2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTJHYSBTEDYVLZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBSVBOGIVAFPV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C2=NC3(CCN(S(C)(=O)=O)CC3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNGYMRIIRWWFDF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NC3(CCN(S(C)(=O)=O)CC3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAZNHPXJTDSWSO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NC3(CCN(S(C)(=O)=O)CC3)NC2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYOPNNNPMJIIQA-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)N=C1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKTKWUSSPPWFQU-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCN(S(=O)(=O)c3cccs3)CC2)N=C1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYMXZGZXOABCOY-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N=C1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJPKEOKYWYTSN-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N=C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JODVCLPEVQGBTH-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N=C1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4928446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIUINGUEVPETFB-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N=C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBOPPFXFXGEDNN-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCN(C(=O)c3ccccc3)CC2)N=C1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODJBFBRQPGMUFB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INBLOVOLXLHRRK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEWPCIOEDOXXRX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHKZYSUZJDCCB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCIXOMUQOQJEHM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC2(CC1)NCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPLVVCVTUVAPK-UHFFFAOYSA-N", "SMILES:O=C1CNC2(CCNCC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMKQRLVKHKHVOL-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)NCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPTYYNWPPBPUMA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1nc2ccccc2nc1-c1nc2ccccc2o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZJOCNGITLUBPN-UWVGGRQHSA-N", "SMILES:N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAOSPOIMDYAWJV-KBPBESRZSA-N", "SMILES:CC(C)CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJURCALYAMAAL-FZMZJTMJSA-N", "SMILES:CC(C)CN[C@H]1CS(=O)(=O)C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLANRGGVVXRBMA-RYUDHWBXSA-N", "SMILES:O=S1(=O)C[C@H](NCCC(F)(F)F)[C@@H](S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWXPQWGIWHUQT-RYUDHWBXSA-N", "SMILES:O=C(O)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFSLDFGKWLQRNN-QWRGUYRKSA-N", "SMILES:O=C(O)C(F)(F)CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEHAFIODPZKSN-STQMWFEESA-N", "SMILES:COC(=O)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZVLLOIJUQAHSL-KBPBESRZSA-N", "SMILES:NCCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIOZKTHYLGXAIC-HOTGVXAUSA-N", "SMILES:NCCCCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAEOKTYXGFAHKP-RYUDHWBXSA-N", "SMILES:NC(=O)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVMKQGHJYVDTL-RYUDHWBXSA-N", "SMILES:O=S(=O)(O)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZYOKZXGKCLYKY-RYUDHWBXSA-N", "SMILES:NS(=O)(=O)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZCBDCNPUAEAFZ-RYUDHWBXSA-N", "SMILES:O=P(O)(O)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMRUDFQSOICZHS-GJZGRUSLSA-N", "SMILES:O=C(O)CCCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDFPBMTASSOEI-STQMWFEESA-N", "SMILES:O=C(O)CCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTRJKDNSMFBSW-FZMZJTMJSA-N", "SMILES:CC(C)CN[C@H]1CS(=O)(=O)C[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTIYMUSBVIPTLM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COYVFENBIAJDFY-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVKAOZUVJIRFNG-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)CN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBFKWPJSFZZRIG-UHFFFAOYSA-N", "SMILES:O=C1OC(c2ccccc2)CN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOLYBFURUMOFFO-UHFFFAOYSA-N", "SMILES:O=C1N(c2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMNJKORTHCIDQ-UHFFFAOYSA-N", "SMILES:O=C1N(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)CCN1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUCQMRYDVBGPJG-UHFFFAOYSA-N", "SMILES:O=C1C(Nc2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNAWMAYRUJNSMU-UHFFFAOYSA-N", "SMILES:COc1cccc(NC2CCN(c3ccc(-c4n[nH]c(=O)c5ccccc45)cc3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAEMMKFBENFITQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(NC2CCN(c3ccc(-c4n[nH]c(=O)c5ccccc45)cc3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKIUHYWWRPLSM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(NC2CCN(c3ccc(-c4n[nH]c(=O)c5ccccc45)cc3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGCQTZNUQROMH-UHFFFAOYSA-N", "SMILES:O=C1C(Nc2cccc(OC(F)F)c2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMOUERLZRRSFP-UHFFFAOYSA-N", "SMILES:O=C1C(Nc2cccc(OC(F)(F)F)c2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYRIOMWWLBTDE-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(NC3CCN(c4ccc(-c5n[nH]c(=O)c6ccccc56)cc4)C3=O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOKBFRMKWIPMQW-UHFFFAOYSA-N", "SMILES:O=C1C(Oc2cccc(OC(F)(F)F)c2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDRICZIGBXSIDD-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHNMSABZAMNHA-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)CCN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPQMTMACUICRFG-UHFFFAOYSA-N", "SMILES:O=C1N(Cc2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNVUZXNFBBMMSW-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(-c2ccc(-n3ncn(Cc4ccccc4)c3=O)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGLTCMUDJFNQJ-UHFFFAOYSA-N", "SMILES:O=C1C(NCc2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUPSRDPUVAMCAD-UHFFFAOYSA-N", "SMILES:O=C1C(NC2CCCC2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCBFQVKSESVEOZ-AWQFTUOYSA-N", "SMILES:CC(C)c1ccc(NC(=S)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1"]}
{"name": "23S rRNA methylase leader peptide", "xref": ["CHEMBL.TARGET:CHEMBL5291611"], "id": "UniProtKB:P10739", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"name": "rRNA adenine N-6-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4251"], "id": "UniProtKB:P13956", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1423"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCGSEUHDKZDSCU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CN(CCCn1ccnc1)CN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMVWYCSNTUSPBP-SRZZPIQSSA-N", "SMILES:C(=N/Nc1ncnc2c1nnn2Cc1ccccc1)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQEDRFJFSUFACC-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C)c(C#N)c(Sc3ccc(C)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYEBOPGXXCXWNL-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(Nc2ncccn2)s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNHVJOSMECPEQA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAKZFNPCBAXPR-UHFFFAOYSA-N", "SMILES:O=C(c1c[nH]c(=O)[nH]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL340522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGMLXUNZJUGAG-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2Cc3ccccc3C2)nc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYZOVKMAQJKBZ-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2nc(N)nc(NC3Cc4ccccc4C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL204153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPPCWQBNXUGJV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVZXDNGPVCEIB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUYPDBOVMXFLO-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCCN3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCBAZZHMDKHJNO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2ccnn2c2ccc(C(=O)NCCN3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBVVXDENBFDJA-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKLTUHXMERQULP-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPUQXBHEOKVAM-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCCCN3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNOPWFNUZNDRBB-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)n(CC)c(=O)c1ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVKHIMFCBDSYSF-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)n(CCCN(C)C)c(=O)c1ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJSHORHIXIXBJG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)n(CCCN(C)C1CCCCC1)c(=O)c1ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODJFJVMSWSTCN-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)n(CCOC)c(=O)c1ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPLQXWSOUAVGR-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)n(CCN1CCCCC1)c(=O)c1ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYIHHAINFSWJI-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XREVRIUOQHGDKG-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKSUORXQKPVUFR-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLFHWZASRJFYBB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)c1ccc2c(c1)n(CC1CC1)c(=O)c1ccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDDHGHXHBUGLL-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cc(C)nn2c2ccc(C(=O)NCc3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNBQUCVHXJRKQN-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2cnc(C)n2c2ccc(C(=O)NCc3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWAZDKQCBMBKF-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCCc3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVBHVHBNQOYQD-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3cccnc3C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGWOFHVODINWMZ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3cnccc3C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGSWZDNMEZCXJP-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3cncc(C)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGYINYMAURPDS-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3ccc(C)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQLOKPRWTYSTD-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3ccccn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOQRQMGRHJZUFW-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHYCLKILJOVEAM-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3cncnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFCBVBVJHRMUTB-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3cnccn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKAAVGSNTIMFKQ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3cnn(C)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKTAJMUNQBHIIP-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2cc(N)c(C(=O)NCc3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIKODBQLOMHNX-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2cc(N)c(C(=O)NCc3cncnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQPADNQUANMUPN-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2cc(NC)c(C(=O)NCc3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXBZWMNEKIHBRX-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccnn2c2cc(N(C)C)c(C(=O)NCc3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUXRHLGQPPYZBE-WDEREUQCSA-N", "SMILES:C[C@H]1CNC(=O)c2cnc3ccc(nn23)N[C@H](C)c2cc(F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRIINUNMFKXCIQ-SNVBAGLBSA-N", "SMILES:C[C@H]1Nc2ccc3ncc(n3n2)C(=O)NCCOc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSOHXUSZEVLQCS-LLVKDONJSA-N", "SMILES:C[C@H]1Nc2ccc3ncc(n3n2)C(=O)NC2(CC2)COc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNXGNEBABBRZPL-LLVKDONJSA-N", "SMILES:C[C@H]1Nc2ccc3ncc(n3n2)C(=O)NC(C)(C)COc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEYQGDXQYQUGL-GFCCVEGCSA-N", "SMILES:C[C@H]1Nc2ccc3ncc(n3n2)C(=O)NC2(CCC2)COc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDOTZYDUBZGYNC-LLVKDONJSA-N", "SMILES:C[C@H]1Nc2ccc3ncc(n3n2)C(=O)NC2(CC2)COc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPQBQVVNVOWQA-LLVKDONJSA-N", "SMILES:C[C@H]1Nc2ccc3ncc(n3n2)C(=O)NC2(CC2)COc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBAPLLCPKVUSU-GFCCVEGCSA-N", "SMILES:C[C@H]1Nc2ccc3ncc(n3n2)C(=O)NC2(CC2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSOHXUSZEVLQCS-NSHDSACASA-N", "SMILES:C[C@@H]1Nc2ccc3ncc(n3n2)C(=O)NC2(CC2)COc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKARBUWRZANCDT-CQSZACIVSA-N", "SMILES:CC[C@H]1Nc2ccc3ncc(n3n2)C(=O)NC2(CC2)COc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDHPSZCCYBQSCZ-OAHLLOKOSA-N", "SMILES:CCC[C@H]1Nc2ccc3ncc(n3n2)C(=O)NC2(CC2)COc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXTUUGNDSZLLS-OAHLLOKOSA-N", "SMILES:C=CC[C@H]1Nc2ccc3ncc(n3n2)C(=O)NC2(CC2)COc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDSXGDDMNFJZBC-GFCCVEGCSA-N", "SMILES:Cc1cc2ncc3n2nc1N[C@H](C)c1cc(F)ccc1OCC1(CC1)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCBXWVFQJXMFC-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccc(F)cc2CNc2ccc3ncc(n3n2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJXOXMLPXZUORI-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(F)ccc2OCC(C)(C)NC(=O)c2cnc3ccc1nn23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHHIXXMZXSGLSU-UHFFFAOYSA-N", "SMILES:CCN1Cc2cc(F)ccc2OCC(C)(C)NC(=O)c2cnc3ccc1nn23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSITSBWFOSTLO-UHFFFAOYSA-N", "SMILES:CC(C)N1Cc2cc(F)ccc2OCC(C)(C)NC(=O)c2cnc3ccc1nn23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWKLYKATURCYRK-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccc(F)cc2CN(C2CC2)c2ccc3ncc(n3n2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPZSWBCFBHNRGJ-UHFFFAOYSA-N", "SMILES:CC1(C)COc2ccc(F)cc2CN(C2CCC2)c2ccc3ncc(n3n2)C(=O)N1"]}
{"name": "Metallo-beta-lactamase type 2", "xref": ["CHEMBL.TARGET:CHEMBL1744488"], "id": "UniProtKB:P14488", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1396"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZJVAAVMNSDMQ-BEFAXECRSA-N", "SMILES:O=C(CNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NNC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWRBMILGUFADAG-KDOFPFPSSA-N", "SMILES:O=C(NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSZQXDAYVWOQHM-GQOCTPOGSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)C(=O)NNC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAYYKPWUZMRIA-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1ccc(OC2CCC3(CCNCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGYMVARVSHBNX-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1ccc(OC2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKDOTPYAQVSCQI-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1ccc(OCC2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFVJZOZDQUMMV-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1ccc(OCCC2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIANLBGWGWIJNW-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(F)c(OCCC2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZLSWRMJAINEG-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUSFSDJAQTYGRI-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCCC2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIEBCDQJGPQVQT-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NS(=O)(=O)C2CC2)c(F)cc1OCCC1CCC2(CCN(Cc3ccccc3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCSUPPIRDBXPB-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2CCC3(CCN(Cc4cc(Cl)cc(Cl)c4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQDFDUSLZKGZMO-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2CCC3(CCN(CCc4ccccc4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSOGQDOJHKYWAP-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC3(CCC(CCOc4cc(F)c(C(=O)NS(=O)(=O)C5CC5)cc4Cl)C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEWANSHMJJBJFP-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2CCC3(CCN(CC4CCCCC4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVLVOKKXIRTGG-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2CCC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPBOTDVWFOKSS-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2CCC3(CCN(CCCc4ccccc4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCUQXRGYVXBJQ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSRLNHJNJOXKNF-UHFFFAOYSA-N", "SMILES:CCc1ccc(CN2CCC3(CCC(CCOc4cc(F)c(C(=O)NS(=O)(=O)C5CC5)cc4Cl)C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUIKGSPARCPQZ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2CCC3(CCN(Cc4cccc5ccccc45)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETOHPYOOASDSM-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2CCC3(CCN(Cc4ccco4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYQMNUPNUZCDA-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2CCC3(CCN(Cc4ccsc4)CC3)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOOKXELDQCVPST-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCCC2(F)CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F"]}
{"name": "CDGSH iron-sulfur domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1795168"], "id": "UniProtKB:Q9NZ45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRDZPJRGAUDMW-UHFFFAOYSA-N", "SMILES:CCCCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHOFXSSJFKUCR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFGGUKXXTBATMW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYLQAPCJUYVGFA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccc(F)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTCNKLSKORNQA-UHFFFAOYSA-N", "SMILES:CCCCCCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLNFWFHBAFHPR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccccc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL120886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSHHRBYVHTVRFK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAFUBDGBLSUOX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O)c(NCc2cccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYTUDSXUDZBWKI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccc(Cl)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXSLMQFFIVWHGV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O)c(NC2CCCCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKMLXDYUHGWQBP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccc(-c3ccccc3)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDKKHQZZJGDNEQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEMJTMVLVISMW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKHXYMALUUUJDJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGVLZWXVQKGCH-UHFFFAOYSA-N", "SMILES:CCCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSLPSRROVATPU-UHFFFAOYSA-N", "SMILES:CCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDFPVHFNYFCWEW-UHFFFAOYSA-N", "SMILES:CCCCCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1535041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGAQWWDUXCKDP-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1CSc1nc2ccccc2[nH]1"]}
{"name": "Heterogeneous nuclear ribonucleoprotein M", "xref": ["CHEMBL.TARGET:CHEMBL5291610"], "id": "UniProtKB:P52272", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVSPRWHIDKWCOV-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1CSc1nc2cc(Cl)c(Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLAMKNDYSOGEJE-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(SCc3nc4ccccc4s3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1322727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQVMLMULKKDILB-UHFFFAOYSA-N", "SMILES:Cc1ccnc(SCc2nc3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYXGVBJQAGPZMV-MUUKASMTSA-N", "SMILES:COc1cc(C2/C(=C/c3ccc(/C=C/C(=O)NO)cc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZJSZFAJYENDQ-SEACDCERSA-N", "SMILES:COc1cc(C2/C(=C/c3ccc(/C=C/C(=O)NOC(C)=O)cc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJWQDHBMSYZTF-UHFFFAOYSA-N", "SMILES:COc1cc(C2c3c(cc(OC)c(OC)c3OC)C(=O)C2Cc2ccc(CCC(=O)NO)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPSUAZIDMNKRA-STZFKDTASA-N", "SMILES:COc1cc(C2/C(=C/c3ccc(OCCCC(=O)NO)cc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXRBMABKOGXMJS-WQRHYEAKSA-N", "SMILES:COc1cc(C2/C(=C/c3ccc(C(=O)NO)cc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSYWHFFPXEXKQ-UHFFFAOYSA-N", "SMILES:COc1cc(C2c3c(cc(OC)c(OC)c3OC)C(=O)C2Cc2ccc(C(=O)NO)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVHYGWZDISADR-RKQKHZQPSA-N", "SMILES:COc1ccc2c(c1)C/C(=C/c1ccc(/C=C/C(=O)NO)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVMSFOKCWOXED-OVFGJEGGSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C\\c1ccc(/C=C/C(=O)NO)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWUWWLKASQVNLV-AUWJEWJLSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C\\c1ccc(C(=O)NO)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXIYKXBUOMGWTN-BKUYFWCQSA-N", "SMILES:COc1ccc2c(c1)C/C(=C/c1ccc(C(=O)NOCc3ccccc3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCWOAVLFZLDBJ-MTJSOVHGSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C\\c1ccc(C(=O)NOCc3ccccc3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWYRLRDXZMKIMP-TZOKSIDISA-N", "SMILES:COc1ccc2c(c1)C/C(=C/c1ccc(/C=C/C(=O)NOCc3ccccc3)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMWUWLQQNYLFOR-DJGYLYFHSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)/C(=C\\c1ccc(/C=C/C(=O)NOCc3ccccc3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDCTLFFGPKFSM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nnc(-c4ccnc(C(F)(F)F)c4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUGOWUCSKIIZFS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nccn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNYGVXHQZINFQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2nc(N3CCN(C(=O)Cc4ccc(Cl)c(Cl)c4)CC3)ccc2s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYWGWCQMXFPRHE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nn(Cc4ccccc4)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRBZVKQZEBFFAH-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C2=Nn3cnnc3CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMDCSJQKQXMFCY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOYAGZHNTUSQG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4ncn(-c5c(F)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTGYOAMQBJWFT-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1-n1cnc2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJPHSSYJPWSOD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4ncn(-c5ccccc5F)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLXGPGFUSPHNO-UHFFFAOYSA-N", "SMILES:O=c1c2cnc(Nc3ccc(C4CCNCC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNGJHNSIQBFHRD-UHFFFAOYSA-N", "SMILES:O=c1c2cnc(Nc3ccc(NC4CCNCC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYEWDTXJRJVTDW-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYSGQADZVUXLOW-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHHYTUISPABOE-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARGUJBLMORLDW-UHFFFAOYSA-N", "SMILES:NC1CCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQEMYMRRKJIVRE-UHFFFAOYSA-N", "SMILES:NCC1CCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWKFXDTPAWBBB-HNNXBMFYSA-N", "SMILES:N[C@H]1CCCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWKFXDTPAWBBB-OAHLLOKOSA-N", "SMILES:N[C@@H]1CCCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCEAPRCUFAFDQU-AWEZNQCLSA-N", "SMILES:N[C@H]1CCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCEAPRCUFAFDQU-CQSZACIVSA-N", "SMILES:N[C@@H]1CCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGPHDMDOCLZQQ-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKSTGZZCMUGDV-UHFFFAOYSA-N", "SMILES:O=c1c2cnc(Nc3ccc(N4CCNCC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBQVNBMXMWFJIL-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXCADZBSIBFMV-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNDLUSCGSBUDES-UHFFFAOYSA-N", "SMILES:O=c1c2cnc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZDEQGNGADMLY-UHFFFAOYSA-N", "SMILES:O=c1c2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOCFOBXGINZDSC-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLDVHWUQESUOKB-HSZRJFAPSA-N", "SMILES:O=c1c2cnc(Nc3ccc(N[C@@H]4CN5CCC4CC5)cc3)cc2ncn1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGRWYPDPHMYJM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJSIPWUWVQWEY-UHFFFAOYSA-N", "SMILES:O=c1c2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTBMIVZTMPZGL-UHFFFAOYSA-N", "SMILES:O=c1c2cnc(Nc3ccc(N4CCC(CO)CC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWMQZKBMXXBFG-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJEDAHYJIKVBEB-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICVPHAWJHCOIM-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECMKLBLNFVCOR-UHFFFAOYSA-N", "SMILES:CN(C)CCCN(C)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBSHPHCRIREHBH-UHFFFAOYSA-N", "SMILES:CN(CCCN)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFIDMHVYAQWJU-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2C#N)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZRVAVYULJDDT-GASCZTMLSA-N", "SMILES:C[C@@H]1CN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2C(F)(F)F)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZCDZDJADIULG-IYBDPMFKSA-N", "SMILES:CC(=O)Nc1cc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)ccc1N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDLWBZIQZICHDA-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2CO)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMKMGCMNMPNAR-IYBDPMFKSA-N", "SMILES:COc1cc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)ccc1N1C[C@@H](C)N[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKICWYBFDLWAP-HDICACEKSA-N", "SMILES:C[C@@H]1CN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2CNC2CC2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHBVAMJLDRGNPP-GASCZTMLSA-N", "SMILES:C[C@@H]1CN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)nc2)C[C@H](C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTPSHSUIKHNIO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIPCEZNFLBKDQ-UHFFFAOYSA-N", "SMILES:c1cc(C2CCc3cc(C4SCCCS4)ccc3O2)ccn1"]}
{"name": "Serine/threonine-protein kinase STK11", "xref": ["CHEMBL.TARGET:CHEMBL5291507"], "id": "UniProtKB:D4AE59", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAIGMAWUOUESHE-UHFFFAOYSA-N", "SMILES:c1ccc(C2CCc3cc(C4SCCCCS4)ccc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSHZGOTWHMPWJK-SMVSCOHQSA-N", "SMILES:CC(C)(C)[C@H](NS(=O)(=O)C1CC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRRAJDSFKJVYNN-OJFNHCPVSA-N", "SMILES:CC(C)(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLLYBLMSBFMNO-WGGGBPLMSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWOALMVPEQWBTM-ZQDZILKHSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRSVDGJTWAYJOR-DYSFYUKASA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@@H]2CCC[C@@H]2C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JENVICRRPDLCFY-YHUYYLMFSA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)N(C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRUPIFCOQFKDEE-OJFNHCPVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVNGCSAQRTZEF-HWISHULASA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDWRCODXSRLTO-XDQVBPFNSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCOC[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIFHVXWGUFUOTG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROQMZVJLDZGGKX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVLKAYYRMMLOAI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)cc2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGMJKBDRIOIOC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c(F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYAOHDJPYCSKH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c(Cl)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKKHKOGWRJOPQE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOYVGCAZWULNCI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCMHCLWENWWXQO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)nc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOPHUXVQNPMHW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMDNWRVPHLLCKE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2cnc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUDXOHMZUVAKDF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNKPURKCVVCMT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLNNAHYIQDETLY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(NC(=O)CCl)nc2)ccc1NC(=O)Nc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEAAKDJDRATHA-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUDEURITVLCEM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZWUGOKMTCDZHV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPZSFTXTQZEAMC-SNAWJCMRSA-N", "SMILES:C/C=C/C(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLPOZLPCFKHGA-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKXKXXTXRZNKJ-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAMGJXBHJDNHV-ZHRRBRCNSA-N", "SMILES:Cc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRCYEUOLXYXORC-FQEVSTJZSA-N", "SMILES:Cc1ccc([C@H](CC(=O)O)NC(=O)Cc2ccc3c(c2)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQNFGUOKPYSZBX-NQERJWCQSA-N", "SMILES:Cc1ccc([C@@H](NC(=O)[C@@H](F)c2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRXXTFSGGGVHK-SYJLOODJSA-N", "SMILES:NC[C@]1(c2ccccc2)[C@@H]2CCN(c3nc4nc(Sc5cccnc5C(F)(F)F)cnc4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWRAAFRXLYPOJW-ZCCHDVMBSA-N", "SMILES:N[C@]1(c2ccccc2)[C@@H]2CCN(c3nc4nc(Sc5cccnc5C(F)(F)F)cnc4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIFJQCDNOHIUMS-YPENRWOSSA-N", "SMILES:NC[C@]1(c2ccsc2)[C@@H]2CCN(c3nc4nc(Sc5cccnc5C(F)(F)F)cnc4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTIOWTGQNZHSHZ-QLEMLULZSA-N", "SMILES:NC[C@]1(c2ccccn2)[C@@H]2CCN(c3nc4nc(Sc5cccnc5C(F)(F)F)cnc4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFQCDZLKGZKHKU-BHVCSQLQSA-N", "SMILES:Cc1csc([C@@]2(CN)[C@@H]3CCN(c4nc5nc(Sc6cccnc6C(F)(F)F)cnc5[nH]4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJYBVBLGGSLJG-VVBPWWLESA-N", "SMILES:NC[C@]1(c2ccccc2)[C@@H]2CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMABUPYDOZNAOC-YPENRWOSSA-N", "SMILES:NC[C@]1(c2ccccn2)[C@@H]2CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHCWHONPQUFHTK-UVARLRKDSA-N", "SMILES:Cc1csc([C@@]2(CN)[C@@H]3CCN(c4cnc(Sc5cccnc5C(F)(F)F)c(N)n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUANGOCWSCYKOJ-KCYKTTMJSA-N", "SMILES:NC[C@]1(c2ccccc2)[C@@H]2CCN(c3cnc4c(-c5cccc(Cl)c5Cl)n[nH]c4n3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GENAOQZGIUCRIG-VBURHUQHSA-N", "SMILES:N[C@]1(c2ccccc2)[C@@H]2CCN(c3cnc4c(-c5cccc(Cl)c5Cl)n[nH]c4n3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNHSFUJHEDZYGF-GTQRCTGISA-N", "SMILES:NC[C@]1(c2ccsc2)[C@@H]2CCN(c3cnc4c(-c5cccc(Cl)c5Cl)n[nH]c4n3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNGLHHGXOQHVRP-USGALAMMSA-N", "SMILES:NC[C@]1(c2ccccn2)[C@@H]2CCN(c3cnc4c(-c5cccc(Cl)c5Cl)n[nH]c4n3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDJJZYXDJQVPIV-QLEMLULZSA-N", "SMILES:Cc1csc([C@@]2(CN)[C@@H]3CCN(c4cnc5c(-c6cccc(Cl)c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDJJZYXDJQVPIV-ALLJEULLSA-N", "SMILES:Cc1csc([C@]2(CN)[C@@H]3CCN(c4cnc5c(-c6cccc(Cl)c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDJJZYXDJQVPIV-VVYDWRJNSA-N", "SMILES:Cc1csc([C@]2(CN)[C@@H]3CN(c4cnc5c(-c6cccc(Cl)c6Cl)n[nH]c5n4)CC[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHMOANGTDFWNY-YPENRWOSSA-N", "SMILES:Cc1csc([C@@]2(CN)[C@@H]3CCN(c4cnc5c(-c6cccnc6C(F)(F)F)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXCSQLOVDOKCZ-WIEQDCTASA-N", "SMILES:NC[C@]1(c2ccsc2)[C@@H]2CCN(c3cnc4c(-c5cccnc5C(F)(F)F)n[nH]c4n3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKLKDPLBWBNFAN-IYPVNNRCSA-N", "SMILES:Cc1csc([C@@]2(CN)[C@@H]3CCN(c4cnc5c(-c6ccc7nc(C)sc7c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXRSLAUXVLRCM-USGALAMMSA-N", "SMILES:Cc1csc([C@@]2(CN)[C@@H]3CCN(c4cnc5c(-c6ccn7nccc7c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIDXYKFRGLNFAF-YPCHGGDPSA-N", "SMILES:Cc1csc([C@@]2(CN)[C@@H]3CCN(c4cnc5c(-c6ccc7nn(C)cc7c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USYJMLSZVSXXTA-WFKAVXFJSA-N", "SMILES:Cc1csc([C@@]2(CN)[C@@H]3CN(c4cnc5c(-c6ccc7nc(C)sc7c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLHMGGBVMLLOD-KOBKJTCASA-N", "SMILES:Cc1csc([C@@]2(CN)[C@@H]3CN(c4cnc5c(-c6ccn7nccc7c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTWGWRIHHGNWMJ-ANCIUUTRSA-N", "SMILES:Cc1csc([C@@]2(CN)[C@@H]3CN(c4cnc5c(-c6ccc7nn(C)cc7c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMMDXGOWSVAAHM-FLJMWOENSA-N", "SMILES:Cn1cc2c(Cl)c(-c3n[nH]c4nc(N5C[C@@H]6[C@H](C5)[C@@]6(CN)c5ccccc5)cnc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNUGORATTYWTNE-FJPDQZSFSA-N", "SMILES:Cn1cc2c(Cl)c(-c3n[nH]c4nc(N5C[C@@H]6[C@H](C5)[C@@]6(CN)c5ccccn5)cnc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJALGVISRRVDHM-UEEOCISISA-N", "SMILES:Cc1cccc([C@@]2(CN)[C@@H]3CN(c4cnc5c(-c6ccc7nn(C)cc7c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTXHHEDBLSWDEI-MICWEPACSA-N", "SMILES:Cc1ccn([C@@]2(CN)[C@@H]3CN(c4cnc5c(-c6ccc7nn(C)cc7c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSPLSGQHWTGQA-ANCIUUTRSA-N", "SMILES:Cn1ccc([C@@]2(CN)[C@@H]3CN(c4cnc5c(-c6ccc7nn(C)cc7c6Cl)n[nH]c5n4)C[C@@H]32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWZALDGIRNANHU-KOBKJTCASA-N", "SMILES:Cc1nnc([C@@]2(CN)[C@@H]3CN(c4cnc5c(-c6ccc7nn(C)cc7c6Cl)n[nH]c5n4)C[C@@H]32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEOWWUAPLHCMU-ZPEBFHCDSA-N", "SMILES:Cn1cc2c(Cl)c(-c3n[nH]c4nc(N5C[C@@H]6[C@H](C5)[C@@]6(CN)c5cnsn5)cnc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZLILFWMDIOJLL-ANCIUUTRSA-N", "SMILES:Cc1nc([C@@]2(CN)[C@@H]3CN(c4cnc5c(-c6ccc7nn(C)cc7c6Cl)n[nH]c5n4)C[C@@H]32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOKYWOCCYLWCA-KOBKJTCASA-N", "SMILES:Cn1cc2c(Cl)c(-c3n[nH]c4nc(N5C[C@@H]6[C@H](C5)[C@@]6(CN)c5nccs5)cnc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLHBKFCMSZPCE-ZPHSUKBBSA-N", "SMILES:Cn1cc2c(Cl)c(-c3n[nH]c4nc(N5C[C@@H]6[C@H](C5)[C@@]6(CN)c5nc(Cl)cs5)cnc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLFBUSLWBJLKP-ZPHSUKBBSA-N", "SMILES:Cn1cc2c(Cl)c(-c3n[nH]c4nc(N5C[C@@H]6[C@H](C5)[C@@]6(CN)c5nc(C(F)(F)F)cs5)cnc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVZOUWFFQONAT-UHFFFAOYSA-N", "SMILES:Cc1c(C2CC3(CCNC3)C2)sc2[nH]c(-c3cn4ncnc4c4c3CCC4)c(C(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODCZIVTLKVTEW-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cnc3c(c2)CNCC3)sc2[nH]c(-c3cn4ncnc4c4c3CCC4)c(C(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTAKZHGZFJNOZ-UHFFFAOYSA-N", "SMILES:Cc1c(C2CC3(CNCCO3)C2)sc2[nH]c(-c3cn4ncnc4c4c3CCC4)c(C(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLPAPHMKHZBJP-BBTUJRGHSA-N", "SMILES:Cc1c([C@@H]2C[C@@H]3C[C@H]2CN3CCS(C)(=O)=O)sc2[nH]c(-c3cn4ncnc4c4c3CCC4)c(C(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZXSUZKTUBBSLN-ABSDTBQOSA-N", "SMILES:Cc1nc2c3c(c(-c4[nH]c5sc([C@@H]6C[C@@H]7C[C@H]6CN7CC(N)=O)c(C)c5c4C(C)C)cn2n1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTAKZHGZFJNOZ-DYNODNKPSA-N", "SMILES:Cc1c(C2CC3(CNCCO3)C2)sc2[nH]c(-c3cn4ncnc4c4c3CCC4)c(C(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYFGNXVCSIXEDG-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1c(=O)c2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQISFYCALGCGD-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cccc(-n2c3nc(Nc4ccc5c(c4)NCCC5(C)C)ncc3c(=O)n2-c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGXWMXHFEWCJTP-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4c(=O)n(C5CCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGULKNIKZOLEFC-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2ccc(Nc3ncc4c(=O)n(C5C=CCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEGWIJBJXWVDU-HSZRJFAPSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n([C@@H]5C=CCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWMIWRHTHVFLTQ-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC4)nc2n1-c1cccc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAVOWWGMSYDIEV-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC4)nc2n1-c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDEWQOWVNDYQSR-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC4(C)C)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOBLPQMIMKNCIR-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4(C)C)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIFDFGPNQFIOE-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(C4(C)CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGBGLGGARORZSJ-UUILKARUSA-N", "SMILES:C/C=C/n1c(=O)c2cnc(Nc3ccc(CN4CCOCC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLHZJXOMHSBCGL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5cccc(OC(F)(F)F)c5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVDVAUYHYBSFNF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5cccc(C#N)c5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPSFWPXHJNVGU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5cccc(Cl)c5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAWYXFZJQSZEGT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n2-c2cccc(C(C)(C)O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRSUINBEIRGTSA-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYDYWAYVIILVQJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5ccccc5F)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVIPCVQEBXPHAI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVMCPYFBLZASU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5ccccn5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEGWIJBJXWVDU-QHCPKHFHSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n([C@H]5C=CCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTPSBCGWGMOMP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(C5C=CCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTPSBCGWGMOMP-QFIPXVFZSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n([C@H]5C=CCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPGFMXRUSHTCC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(C5CCCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBFWZLVKHAJJDH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(C5CCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVNJKDDNWPPBS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(CC5CCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOFKPXJMZQVPLP-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISZVUZJIEBIZNI-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTOUIFLKZJSCS-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVVMGUQEMUEAHE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(C)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASYQNVBURRMKN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)[nH]n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVQDQHPDYLMCH-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)c4ccn(C)c34)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AULWOQPQUKPJMM-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC4)cc2n1-c1cc(C(C)(C)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLXANSJPNHXRT-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(Nc3ncc4c(=O)n(C5C=CCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEQAEPQFWOQEKT-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC4(C)C)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQGJGXHPKUCEQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4(C)C)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQAJCMBCBEEHH-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC4)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWKUHQZSGCZFU-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(Nc3ncc4c(=O)n(C5C=CCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVRXPWHNFRJKJJ-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4c(=O)n(C5C=CCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYAUJSGFHQKSM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5ccccc5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEGWIJBJXWVDU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(C5C=CCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTPSBCGWGMOMP-JOCHJYFZSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n([C@@H]5C=CCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBSXIGAYOREOT-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(Nc3ncc4c(=O)n(C5C=CCCC5)n(-c5cccc(C(C)(C)O)n5)c4n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFNATPFSAZZDDV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc3c(n2)N2CCN=C2N(c2c(Cl)cccc2Cl)C3=O)cc(F)c1N1CCC(N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWMUXXQYMWYAAA-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(Nc3ncc4c(=O)c(-c5c(Cl)cccc5Cl)cn(C)c4n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMVORCDEJHPLC-UHFFFAOYSA-N", "SMILES:CC1(C)CNCc2cc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)ccc4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBFLZPOJZBXKW-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDIMXIZMBRTHQ-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cccc(-n2c3nc(Nc4ccc(N5CCN(CCO)CC5)cc4)ncc3c(=O)n2C2C=CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFAORFKQFQJGN-UHFFFAOYSA-O", "SMILES:Cc1ncc(C[n+]2csc(CCO[P@@](=O)(O)OP(=O)(O)O)c2C)c(O)n1"]}
{"name": "Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3774302"], "id": "UniProtKB:P29804", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STDHDKNZCNOXEX-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCO)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWVZUWXPYDQLW-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCCO)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSHOFRFHVPPXBV-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCOC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPEXGRUTMULOON-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCOC(=O)c3cccc(C#N)c3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQXMFAOIZPGFQ-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCn3cc(-c4ccccc4)nn3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHPHMKVNNBBGHV-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCn3cc(-c4ccccc4)nn3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOJUBJWZOYTJJ-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCCn3cc(-c4ccccc4)nn3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHEJVRDKMCHBSJ-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCn3cc(-c4ccc(F)cc4)nn3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPMJLQAXGFIEW-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCn3cc(-c4ccc(F)cc4)nn3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCMJXUZDADDBMY-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCCn3cc(-c4ccc(F)cc4)nn3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFJXNLJVIYTGSY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(CCc3cn(Cc4cnc(C)nc4N)nn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECMMMAOIULARO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(CCCc3cn(Cc4cnc(C)nc4N)nn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJOLSOLOCKBPGP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(CCCCc3cn(Cc4cnc(C)nc4N)nn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMWIAVZZXZRYND-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCNS(=O)(=O)C(F)(F)F)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKXMVOFZPQWOBP-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCNS(=O)(=O)C(F)(F)F)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFDEIRAENBSFI-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCCNS(=O)(=O)C(F)(F)F)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJOTGXLYWXFGV-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCNC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEZFFWDYLWCEOE-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCNC(=O)c3cccc(C#N)c3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISAPFPUBFNZONB-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCCc2cn(Cc3cnc(C)nc3N)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFTWNOZUVONEW-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCCCc2cn(Cc3cnc(C)nc3N)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVZNACPEBVFOBS-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NCCCCc2cn(Cc3cnc(C)nc3N)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUZLJKFRNBISJM-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)NCCc1cn(Cc2cnc(C)nc2N)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTKVMPMBBLDTQE-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)NCCCc1cn(Cc2cnc(C)nc2N)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDKUOIQCKJOQC-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)NCCCCc1cn(Cc2cnc(C)nc2N)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEXZXRIVTYQHKL-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCC(=O)NO)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGKXAMPUJQBSJV-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCC(=O)NO)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWVPSSYTYNFGHS-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCCC(=O)NO)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEFICXOFHWCVFW-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCC(=O)Nc3ccccc3N)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEOGLYTNRNULB-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCC(=O)Nc3ccccc3N)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVIAWHRUCYEFM-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCCCC(=O)Nc3ccccc3N)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3276621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAOMZVDZARKPFJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCCNC(=O)C(Cl)Cl)C(Cl)Cl"]}
{"name": "Peroxisomal acyl-coenzyme A oxidase 1", "xref": ["CHEMBL.TARGET:CHEMBL4105748"], "id": "UniProtKB:Q15067", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5316202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCPBYQTJFPZGA-UGFLPWHZSA-N", "SMILES:CC(C)C[C@@H](/C=C/[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NCCCCCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1)C(C)C)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFVBGPFCZUBLFY-WIAKICGHSA-N", "SMILES:C[C@H](NC(=O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Oc1ccc(COC(=O)N2CCCC2(C)c2nc3cccc(C(N)=O)c3[nH]2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDLTJMEEFWKBT-PLKGVSPESA-N", "SMILES:C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(COC(=O)N2CCCC2(C)c2nc3c(C(N)=O)cccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWHPSSGMRUINSC-MQZUWBECSA-N", "SMILES:CC(C)C[C@@H](/C=C/C(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)Oc1ccc(COC(=O)N2CCCC2(C)c2nc3cccc(C(N)=O)c3[nH]2)cc1)C(C)C)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRJCBTOROOHRDF-DFXILPKHSA-N", "SMILES:CC(C)C[C@@H](/C=C/[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc1ccc(COC(=O)N2CCCC2(C)c2nc3cccc(C(N)=O)c3[nH]2)cc1)C(C)C)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDUWIKBIGIWGO-COEBYPNMSA-N", "SMILES:COc1cc(C(=O)NCCNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPFJWRNISQUKQ-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCOCCOCCNC(=O)CCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLZFYFIYELIYFY-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPBVKGCIGABPLK-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCOCCOCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLRKWLNIPFVLL-PBKDXACESA-N", "SMILES:COc1cc(C(=O)NCCOCCOCCNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFYXSMRKEKFOSE-CPYKLUICSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCCN2CCC[C@H]2COc2nc(N3CC4CCC(C3)N4)c3cc(Cl)c(-c4ccc(F)c5sc(N)nc45)c(F)c3n2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWLGJJHBGWKLE-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ncc(NCc4cccnc4N(C)S(C)(=O)=O)cn3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJVGRFQTNFUYNQ-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccc(-c2nc3cc(Cl)ccc3[nH]2)nc1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAVUGDDDABQSG-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1cnc(-c2nc3cc(-c4cnn(C)c4)ccc3[nH]2)nc1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFKHTMVRLNXHM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2[nH]c(-c3ncc(NCc4cccnc4N(C)S(C)(=O)=O)cn3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BONSOYXWULCIEQ-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1cnc(-c2nc3cc(Cl)cc(F)c3[nH]2)nc1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWRJBQKYFMGYJH-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1cnc(-c2nc3cc(F)cc(F)c3[nH]2)nc1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GATKHKSVRDWAJC-GFCCVEGCSA-N", "SMILES:Cc1nc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMUJIMMUUGFXEB-OAHLLOKOSA-N", "SMILES:Cc1nc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C2CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWHBXDQVWFGBIE-GFCCVEGCSA-N", "SMILES:COc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)nc2C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMRUKBQXRUFHV-GFCCVEGCSA-N", "SMILES:Cc1nc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(Cl)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZSRIUXXKIICS-GFCCVEGCSA-N", "SMILES:Cc1cc(O)c(-c2nnc(N[C@@H]3CCCN(C)C3)nc2C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQTQJSQNAMDVJL-LLVKDONJSA-N", "SMILES:COc1cc(O)c(-c2nnc(N[C@@H]3CCCN(C)C3)nc2C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYDLIURZBBDPT-IJLIMOAPSA-N", "SMILES:CC(C)c1ccc(C23CCN(C(=O)[C@H]4C[C@]5(COC(=O)N5)C4)CC2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBXAZHQFZMWLIH-PMAMJGADSA-N", "SMILES:Cc1ccc(C23CCN(C(=O)[C@H]4C[C@]5(COC(=O)N5)C4)CC2C3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLKUAIQKOLIFW-QGHRMTQGSA-N", "SMILES:CC1(c2ccc(C34CCN(C(=O)[C@H]5C[C@]6(COC(=O)N6)C5)CC3C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNHYRRANFLKUBY-QGHRMTQGSA-N", "SMILES:CC(C)(C)c1ccc(C23CCN(C(=O)[C@H]4C[C@]5(COC(=O)N5)C4)CC2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTYPEHMIDKSSQ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(C(=O)OC(C)C)c(-c2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQTXSUYGYJJKM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(C(=O)Oc2ccccc2)c(-c2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVJCWOLQMYNMO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(C(=O)OC(C)C)c(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCVRLWMPFFMARQ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWXHBFDMXKXVLZ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C(=O)Oc2ccccc2)c(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHREFOYUVJXGW-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C(=O)Oc2ccc(F)cc2)c(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARNUQMBQKGCIR-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(C(=O)OC(C)C)c(-c2cn(C(C)=O)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUTQOIKDMKIAMT-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N)CC2)ccc1Nc1ncc(C(=O)OC(C)C)c(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIMFLRRTLMJCKE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C(=O)OC(C)C)c(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYONFSMCYGINB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2OC)nc1-c1cn(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKOUWTODJFUNPG-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2OC)nc1-c1cn(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWDQBZPKOQVRO-WXBOBLNNSA-N", "SMILES:Cc1cc2c(nc(O[C@@H](C)[C@@H]3CCCN3C)c3nnn([C@H]4CCN(C(=O)/C=C/CF)[C@H](CC#N)C4)c32)c(F)c1-c1ccc2cnn(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQTRDANABYJAAI-BHXHEMOUSA-N", "SMILES:COC/C=C/C(=O)N1CC[C@H](n2nnc3c(O[C@@H](C)[C@@H]4CCCN4C)nc4c(F)c(-c5nn(C)c6ccccc56)c(C)cc4c32)C[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRLMSXYUVRMAB-TVLFMIPYSA-N", "SMILES:COC/C=C/C(=O)N1CC[C@H](n2nnc3c(O[C@@H](C)[C@@H]4CCCN4C)nc4c(F)c(-c5ccc(F)cc5)c(C)cc4c32)C[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGKJCEWPMPNTKX-ROOIWUQASA-N", "SMILES:Cc1cccc(-c2c(C)cc3c(nc(N4CC(C)(N(C)C)C4)c4nnn([C@H]5CCN(C(=O)/C=C/CF)[C@H](CC#N)C5)c43)c2F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYQCLNIADGTZBL-UCTAJKHQSA-N", "SMILES:COC/C=C/C(=O)N1CC[C@H](n2nnc3c(O[C@@H](C)[C@@H]4CCCN4C)nc4c(F)c(-c5ncc(F)c6ccccc56)c(C)cc4c32)C[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQSXJTGSZYLBRB-KYALDGGBSA-N", "SMILES:C=C(F)C(=O)N1CC[C@H](n2nnc3c(O[C@@H](C)[C@@H]4CCCN4C)nc4c(F)c(-c5ncc(F)c6ccccc56)c(C)cc4c32)C[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLHISMLBZZVGNY-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2ccc(NC(=O)CCl)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAITUQYVCCCHPJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Oc2cc(NC)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGSBXYKIYBKMOZ-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2cccc(NC(=O)CCl)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOUQMVQDFTSAR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Oc2cc(NC)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTZRWHOIDCOHNW-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2cccc(NC(=O)CF)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGCUQLICVIAEH-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(N3CCOCC3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNDUXDLRREQFG-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCCc3c[nH]c4ccccc34)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUAYTKGCHRGIEL-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NC3CCCC3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROJRZWRTFCCFX-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NC3CCOCC3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPYYVROSRFOVTG-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(CCc3ccccc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWLPXQJQRJVCT-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCCc3ccc(Cl)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXZKXNWVVJXIEA-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCCc3ccc(F)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLHFBBBJRZEFGU-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2cc(Oc3cccc(NC(=O)CCl)c3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFRUXZFUQRBGL-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2cc(Oc3cccc(NC(=O)CCl)c3)ncn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSVSGAUWEMIRDI-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCCc3ccc4c(c3)OCO4)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHPBBOKUMDLHDF-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1cc(Oc2cccc(NC(=O)CCl)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWAPCFYOLJWGBA-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCc3ccccc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLWMYNDLZZYSJ-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCc3cc(F)cc(F)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAIRQGLJBXCIF-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCc3ccc(F)cc3F)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGAIRGVBPWONLF-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCc3c(F)ccc(F)c3F)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LETYUJZXUPYVOF-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCc3ccc(F)c(F)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MILCJQDNBJIAAH-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCc3ccccc3C(F)(F)F)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BABNXNUZLDDLPV-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCc3ccc(F)c(C(F)(F)F)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTPETSUUSGXOZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNc1cc(Oc2cccc(NC(=O)CCl)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFIOVQEHUOPSD-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKAHUBVAJEABC-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2cc(Oc3cccc(NC(=O)CCl)c3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGRPCPYBHZBYMN-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2cc(Oc3cccc(NC(=O)CCl)c3)ncn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTVXFOJCWNJRD-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2cc(Oc3cccc(NC(=O)CCl)c3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHBWVAXTKHPEC-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(Oc2cc(NCc3ccc(C(F)(F)F)cc3)ncn2)c1"]}
{"name": "Cyclic AMP-dependent transcription factor ATF-2", "xref": ["CHEMBL.TARGET:CHEMBL5291557"], "id": "UniProtKB:P15336", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZVMLOIGELVJKQ-LLVKDONJSA-N", "SMILES:C[C@@H]1Cc2cc(C(=O)Nc3ccccc3)c(=O)n(C)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJPUVBPORKUQG-LBPRGKRZSA-N", "SMILES:C[C@H]1CCc2c(cc(C(=O)Nc3ccccc3)c(=O)n2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAAVMDUDYQQYBR-LLVKDONJSA-N", "SMILES:C[C@@H]1CCc2c1cc(C(=O)Nc1cc3ccccc3[nH]1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGQUZLRSUXFRA-LBPRGKRZSA-N", "SMILES:C[C@H]1CCCc2c1cc(C(=O)Nc1ccccc1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGQUZLRSUXFRA-GFCCVEGCSA-N", "SMILES:C[C@@H]1CCCc2c1cc(C(=O)Nc1ccccc1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOMJNZWOVBQSFV-UHFFFAOYSA-N", "SMILES:CC1CCc2c1cc(C(=O)Nc1ncc(F)s1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUDXCPHVMTTDG-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)c2csc(-c3ccncc3)n2)c(C(N)=O)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYPPTJOTLBSLZ-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)c2coc(-c3ccnc(C)c3)n2)c(C(N)=O)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYCRIYYYAIHZCP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3c[nH]nc3C(N)=O)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODSGVDKZSFNVQM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cn(C)nc3C(N)=O)co2)ccn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJWQIZQKNOIKG-UHFFFAOYSA-N", "SMILES:CCCCn1cc(NC(=O)c2coc(-c3ccnc(C)c3)n2)c(C(N)=O)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJJKQJLHQKJCFQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cn(CC(C)C)nc3C(N)=O)co2)ccn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLIPJJSDIWPSQK-UHFFFAOYSA-N", "SMILES:COCCn1cc(NC(=O)c2coc(-c3ccnc(C)c3)n2)c(C(N)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVCBWSQHATFNF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cn(C4CCOC4)nc3C(N)=O)co2)ccn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNKTVDJANGZDN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cn(CC4CCOC4)nc3C(N)=O)co2)ccn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGNHLIIFEDYNFZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)co2)ccn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBZRXYQXCDHAH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cn(CC4(C)COC4)nc3C(N)=O)co2)ccn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQWQBGYALWZPN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cn(C4CCN(C)CC4)nc3C(N)=O)co2)ccn1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFXGCMIKFXRKBS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(n2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(C(N)=O)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKDXTHGHUFIWIS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cn(C4CCS(=O)(=O)CC4)nc3C(N)=O)co2)ccn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRFPLDPMQRNXJP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ncc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)o2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCEWYCYYQQTVEE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)o2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXUQZXCALRWSC-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2ccc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQOFJARNCBGPJF-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2nc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUMDJBAUGJFRE-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1coc(-c2ccnc(C3CC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCVUWPMQWSOET-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1coc(-c2ccnc(CO)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROAHFNXCHJFNKX-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1coc(-c2ccncc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEOOJUFYJLQHN-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1coc(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKAZGAGBEFUBDS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)co2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKOWJUIHDBJHIM-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)c2coc(-c3ccncc3)n2)c(C(N)=O)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4210711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFUGZARPBMXMB-LAUBAEHRSA-N", "SMILES:COc1ccccc1-c1ccc([C@H](C)Nc2cncc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJAIJURIMBUHLD-DIFFPNOSSA-N", "SMILES:C[C@@H]1[C@@H](c2ccc(F)cc2)OC(=O)N1c1cc(C#N)cc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTKHUJWZXDFCW-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC3(CN(CC(=O)O)C(=O)O3)c3cc(Br)ccc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLZNHDJBITFKN-UHFFFAOYSA-N", "SMILES:COc1cc(COc2ccccc2C2(C)CN(CC(=O)O)C(=O)O2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGKKIDVQXUFYEJ-WXUMCUSRSA-N", "SMILES:CC1(C)O[C@@H]2[C@@H](O)[C@H]3NC(=O)O[C@H]3C[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZVJAUOCKLZVQR-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C(=O)OCc3ccc(C(F)(F)F)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDMBEBSWFHFCZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C(=O)OCc3cccc(F)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSXISUMFIZGPQ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C(=O)Nc3ccc(CO)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUEAMDBLDMZWQE-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C(=O)Nc3ccncc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKWYEWKCRPQQLO-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(CCOCCO)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSIZIMJPWIBJJ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(CCCCCCCCO)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFKARVFSHWKASN-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(CCCCCCCO)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGELJIVIYGCVEA-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(CCCO)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWKQRGGFYJSMAL-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(CCO)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVILNASMBJRYQD-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(Cc4ccc(C#N)cc4)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INENUHPJVCAUCN-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(CCc4ccc([N+](=O)[O-])cc4)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBPUNBFRJEPEM-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(CCc4ccc(O)cc4)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVKZEPNXQVATM-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(Cc4ccccc4)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKNRGTCXDSWBJH-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(Cc4ccc(C(F)(F)F)cc4)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQWCGSHOBYJRM-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(Cc4ccc(F)cc4)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTRMDDJAPSXDRP-UHFFFAOYSA-N", "SMILES:CNc1ccc(-n2cc(-c3nc4ccc(O)cc4s3)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGNXUJKSVJHHFC-UHFFFAOYSA-N", "SMILES:CNc1ccc(-n2cc(-c3nc4ccc(OC)cc4s3)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCQXPVPRMLXPI-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cn(-c4ccc(N)nc4)nn3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487017", "category": ["biolink:ChemicalEntity"], "name": "APIGETRIN", "xref": ["InChIKey:KMOUJOKENFFTPU-QNDFHXLGSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL8996", "category": ["biolink:ChemicalEntity"], "name": "ERIODICTYOL", "xref": ["InChIKey:SBHXYTNGIZCORC-ZDUSSCGKSA-N", "SMILES:O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL509624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFHNDRXYHOLSH-SFTVRKLSSA-N", "SMILES:O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL183513", "category": ["biolink:ChemicalEntity"], "name": "OROXYLIN A", "xref": ["InChIKey:LKOJGSWUMISDOF-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL469654", "category": ["biolink:ChemicalEntity"], "name": "PRUNIN", "xref": ["InChIKey:DLIKSSGEMUFQOK-SFTVRKLSSA-N", "SMILES:O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5277249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWEKIXALQAUMQL-UHSUVFMESA-N", "SMILES:O=C1CC(c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJZLYGDCIBSPGQ-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXXCBUJREGMALF-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZPZADBHSBTKBW-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(Oc3ccc(CN)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUGURQNNBZXSZ-UHFFFAOYSA-N", "SMILES:NCc1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(Oc3ccc(CN)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGUFOKPCSWNPHO-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(CCNC(=O)C(C(=O)NCCc2ccc(C(=N)N)cc2)C(=O)NCc2ccc(C(=N)N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMWOKGIVZJWFOR-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(CCNC(=O)CC(=O)NCCc2ccc(C(=N)N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZJZTFWCDAUDF-LJQANCHMSA-N", "SMILES:CN1C(=O)[C@@H](CC2CCCC2)N(C2CCCC2)c2nc(Nc3cc(Cl)c(O)c(Cl)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2104863", "category": ["biolink:ChemicalEntity"], "name": "IMANIXIL", "xref": ["InChIKey:FUSNOPLQVRUIIM-UHFFFAOYSA-N", "SMILES:CC1(C)CN(c2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c(N)n2)C(=O)N1"], "synonym": ["Imanixil", "Imanixilo"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRMHXWCTRFVHK-NYYWCZLTSA-N", "SMILES:COc1cc(/C=C(\\C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4284012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUIKSASDAJEPSH-UHFFFAOYSA-N", "SMILES:N#CC(Cc1cccc2cnccc12)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUHSCKFRDYSOPZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2ncc3c(Nc4ccc(OC)c(Cl)c4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBGHTPXVIMYJS-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnc3c2cnn3C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWFNJBXTDFVAJ-ZDUSSCGKSA-N", "SMILES:O=C(c1cc(-c2ccco2)n[nH]1)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOCIDBLUTVGRM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKVLBDCJYWTNGN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc2[nH]c(CNc3ccc(Cl)cc3)nc(=O)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSMQAUSFSPQAM-UHFFFAOYSA-N", "SMILES:O=c1nc(Cn2nnc(-c3ccccc3Cl)n2)[nH]c2sc3c(c12)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWESXODJRRKJNI-UHFFFAOYSA-N", "SMILES:Nc1c(-n2nnc(-c3cccs3)n2)c(=O)[nH]c2sc3c(c12)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIPREBHTHFJDM-UHFFFAOYSA-N", "SMILES:O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPUPYESOOCJFSB-SFHVURJKSA-N", "SMILES:CSc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1515038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCQJOHBPPVCAJT-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLHPVRPCFHNTR-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNJQSVZFLIHBSM-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHEZZVQPNAENSI-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLSKBJFTOLREPU-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXGEUOADKRJJW-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIEDAQPHYCXCCP-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJAWNHWVGXQZCK-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)nc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTAQGAUASDEJF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(NC(C)C)ncnc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1555387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMBCEGAKIMTFV-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBDOZRZQWGKDT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBETYCCNDHCTNK-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZIHITUUUPJMOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2ccn3-c2ccc(C)c(C)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPHVQIGCAUSAIT-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2CC(=O)N3c2ccc(C)c(C)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRALLBVADGIFD-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2ccn3-c2ccc(C)cc2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPZPCJZGKZXUKK-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2ccc3c(Nc4ccc(OC)c(Cl)c4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVQFPKSIVQITJE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2ncnc3c2ccn3-c2ccc(C)c(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKZFLZPUFVUWSV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncnc3c2ccn3-c2ccc(C)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRWXJPWZQZZGN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2ccn3-c2ccc(C)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMKZUBKMZOBTMV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ccc3c(Nc4cnoc4)ncnc32)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNNGBSSZNVHIF-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2ccn3-c2cccc(N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQJCWKHSQYUPQL-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2ccn3C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFXJQRIGPNSNJF-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2ccn3Cc2c[nH]cn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYWNUWPRNQPLS-UHFFFAOYSA-N", "SMILES:Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYUGMEGJNIINBO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc3n(CC#Cc4ccc(Cl)c(Cl)c4)ccn23)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPZNMANGWUPLN-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(-c3cccc(Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1"]}
{"name": "Putative citrate synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL5291952"], "id": "UniProtKB:P9WPD3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162545", "category": ["biolink:ChemicalEntity"], "name": "GLYOXYLATE", "xref": ["InChIKey:HHLFWLYXYJOTON-UHFFFAOYSA-N", "SMILES:O=CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3823834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSPFPGAYHPQNP-UHFFFAOYSA-N", "SMILES:C=C1CC2(OC1=O)C(=O)Nc1ccc(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPSEHRZKNMGSY-UHFFFAOYSA-N", "SMILES:C=C1C(=O)OC2(C(=O)Nc3ccccc32)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL152208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIBLVZMAUUVSMB-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL152767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSXZXFPYTVQJIL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDCLCHNAEZNGNV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXVRYYLBZGIFP-UHFFFAOYSA-N", "SMILES:COc1ccc(C#CC(C)(C)N)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQHNRJYCJEDQF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC2CC2)ccc1-c1ccc(C(=O)c2cccc(CCC(O)CO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWHELZQDIMHBK-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1O)c1cc(Br)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDOHKCDPBLZOB-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1O)c1cc(-c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVJBEPLPPOMRIL-UHFFFAOYSA-N", "SMILES:O=C(NN=C(c1ccccc1O)c1ccccc1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMQSEOCYTDGKGA-OBGWFSINSA-N", "SMILES:CC(=O)N/N=C(\\c1ccccc1O)c1cc(Br)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWGFIYSSWQREA-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(-c3ccc(Nc4nc(N5CCOCC5)nc5[nH]ncc45)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMHQPLSGVCFCO-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(-c3ccc(Nc4nc(N5CCCC5)nc5[nH]ncc45)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQCWPCGCIMGOE-UHFFFAOYSA-N", "SMILES:NCCNc1nc(Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBCRQXCMUYDPN-UHFFFAOYSA-N", "SMILES:OCCN1CCN(c2nc(Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c3cn[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYOROGKLOXZOU-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nc(Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c3cn[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFJYNFOUYAPVNM-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc(Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c3cn[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL123749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMQRRVMTPZWOL-OGLMXYFKSA-N", "SMILES:C/C(=N\\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJJHESJXJQCJA-UHFFFAOYSA-N", "SMILES:c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL127188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMAJFVRCEJIPKX-UHFFFAOYSA-N", "SMILES:C(CCCN1CCCNCCNCCCNCC1)CCN1CCCNCCNCCCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMFKRCYKTYWIW-UHFFFAOYSA-N", "SMILES:C1CNCCNCCCN(CCCN2CCCNCCNCCCNCC2)CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJMZDHPUKDYAB-QHCPKHFHSA-N", "SMILES:C1CNCCNCCCN(CCC[C@H]2CNCCCNCCNCCCN2)CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOGXJRSJWHMRU-UHFFFAOYSA-N", "SMILES:c1cc(CN2CCCNCCNCCCNCC2)cc(CN2CCCNCCNCCCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJDPXSXCZMISN-UHFFFAOYSA-N", "SMILES:c1cc(CN2CCCNCCNCCCNCC2)nc(CN2CCCNCCNCCCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL122226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKNLRGFDMOOFB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCCNCCNCCCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMKTQNDPSHONR-UHFFFAOYSA-N", "SMILES:c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL125150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDAXKAUIABOHTD-UHFFFAOYSA-N", "SMILES:C1CNCCNCCCNCCNC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1242211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHGBVICHXYKTGY-UHFFFAOYSA-N", "SMILES:CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2367715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYMDKKVILQGGBT-ZTOMLWHTSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRLVMQBZIFWTB-WEVVVXLNSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccc(O)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNICNWASXKNNQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRRGKBBDXLJMCV-HXUWFJFHSA-N", "SMILES:Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZEOSVPWMSEFPW-YVBCAIIASA-N", "SMILES:CCO[C@H]1CN(C2CCC(O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETDPCXHZHTWQD-GDLZYMKVSA-N", "SMILES:CCCN(C(=O)OCc1cccc(C(N)=O)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRMKVILHUDNAN-BZKUTMRRSA-N", "SMILES:C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFJDHUDRDUPQTC-UHFFFAOYSA-N", "SMILES:O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)C1c1cccs1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXMNCCQLDHOCG-UHFFFAOYSA-N", "SMILES:CC1CCCN(CC(O)COc2ccc3c4c(c(=O)oc3c2)CCC4)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXJLNPLYEOWYLU-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(CNC(=O)c1cc(-c2ccc(Br)cc2)on1)N1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHVKSDMVCUUQNU-SSZFMOIBSA-N", "SMILES:CN(C)c1ccc(/C=C2\\SC(N3CCN(CCO)CC3)=NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYARXICKXVXWNA-GFCCVEGCSA-N", "SMILES:CC[C@H](c1ccc(F)c(F)c1)n1c(S)nc(-c2ccno2)c1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRSYZQXPRWUJQ-DZFGPLHGSA-N", "SMILES:CCCC[C@H]1C[C@@H](N(C)C(C)C)CC[C@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL207725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJXYYMCUGCGBPZ-QFIPXVFZSA-N", "SMILES:CCCCCCCCSc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTHIETOWBQBYAF-MRVPVSSYSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFBWQBKWFEXOH-NVPAJSRCSA-N", "SMILES:CC[C@@H](NC1C(=O)C(=O)C1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWKNLJIWOTOKT-QFIPXVFZSA-N", "SMILES:CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](CC)C2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRGQUDUVGRCBS-HXUWFJFHSA-N", "SMILES:CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ncccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2181467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEINOXRFIYQSFV-ZPGRZCPFSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQTKNBPCJKRYPA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2c(C(C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRXASGVUQJVWMP-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1cccc(CN2CCC3(CC2)C(=O)NCN3CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPQPMWDSDAYMV-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1cccc(CN2CCC(O)(c3ccccc3C(=O)O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQVDZKAJZHWQQE-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)c1ccc(OC)cc1C1(O)CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCCUDLTAIFJLP-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C(CCN3CCCC3)c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIOMNWOJKLSDKZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3CC(=O)Nc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1195981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQANTGDLXHMOET-CAOOACKPSA-N", "SMILES:Cc1ccc(-c2nc3n(c2/C=N/N=C(N)N)CCS3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLXBPDKDOVUPW-UHFFFAOYSA-N", "SMILES:Cc1nc(CN(C)CC2CCCN(CCc3ccccc3C)C2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMGAFLRCDGOKZ-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPHAVYYCSVFLI-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2n1CCCCn1c(N)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCCSUHWPGVMJLG-UHFFFAOYSA-N", "SMILES:Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIPBZPTPIONIV-UHFFFAOYSA-N", "SMILES:CCN(CCCNC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNJHFFWWEIDAFX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(S(=O)(=O)N3CCNCC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKQZNAEBWMDRH-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL30707", "category": ["biolink:ChemicalEntity"], "name": "COUMESTROL", "xref": ["InChIKey:ZZIALNLLNHEQPJ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5279690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKKLPXVGTUATOZ-LRDDRELGSA-N", "SMILES:COc1ccc2c(c1)OC[C@H]1c3ccc(OC)c(O)c3O[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOVGCLXUTLXAEC-WFASDCNBSA-N", "SMILES:COc1ccc2c(c1OC)O[C@H]1c3ccc(O)cc3OC[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQRZLVUKAGAFFX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1O)OC1c3ccc(O)c(OC)c3OCC21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWTDZKXXJRRKDG-UHFFFAOYSA-N", "SMILES:CC1(C)C=Cc2c(ccc3c2OC2c4ccc(O)cc4OCC32)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4169151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDCYIMQAIKEACU-HNAYVOBHSA-N", "SMILES:Cc1cc(-c2cnc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)nc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTPLPKYQGWUBC-DZGCQCFKSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3677013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWEHCJGTUOBELY-LAUBAEHRSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGAAGJSJNOCFDF-DZGCQCFKSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3677089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBKIRLAGGQRMT-SWLSCSKDSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVHYTGQNYTKRK-SWLSCSKDSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3639710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQRQRZHDVNMQMO-SWLSCSKDSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALEFKGPDWCALSQ-SWLSCSKDSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCWYQRYUDAIGKI-SWLSCSKDSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZEYGPXLALEWAY-XHDPSFHLSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDESFVQFLBRKMV-DZGCQCFKSA-N", "SMILES:COc1ccccc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIPCTIIDGGNNMV-XJKSGUPXSA-N", "SMILES:COc1cccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGHHZROONVTWLB-XJKSGUPXSA-N", "SMILES:COc1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIXWPEDNSULKIR-DZGCQCFKSA-N", "SMILES:COc1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXQFXRIZZVVKS-XJKSGUPXSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRWGPCOHZYQEP-HNAYVOBHSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOXRWHHBDGWBEK-HNAYVOBHSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJZEQSIULHTBW-LAUBAEHRSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3639759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIAMETNABDUINA-CMPLNLGQSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Cl)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZSFGXVFAIYNNF-KBXCAEBGSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Oc3ccc(F)cc3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFMJXRHLXWTYRE-MAUKXSAKSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(-c3ccccc3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTPLPKYQGWUBC-AWKYBWMHSA-N", "SMILES:CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTPLPKYQGWUBC-WUJWULDRSA-N", "SMILES:CC(Nc1nccc(N2C(=O)OC[C@H]2C(C)C)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTPLPKYQGWUBC-HIFRSBDPSA-N", "SMILES:CC(C)[C@@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTPLPKYQGWUBC-ZFWWWQNUSA-N", "SMILES:CC(C)[C@@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUTPLPKYQGWUBC-UKRRQHHQSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBEMVAOMAZYORX-YCAMTLLZSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc(S(C)(=N)=O)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELHBPZQWGRMDI-DURBRWELSA-N", "SMILES:O=C1C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CN2C(=O)[C@H](CCc3ccccc32)NC(=O)C[C@H](Cc2ccc(Cl)cc2)NCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIUYZOGCNJEFPD-QXIHQKPUSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZDIWZBYPZSNL-LBRLCBGXSA-N", "SMILES:CN1CCCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHQHBCVCNHRGD-AFYOCNOBSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc(S(C)(=O)=O)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(CCc4ccccc4)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGLNRYYTWNTFOQ-UEHMVRIRSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(-c4cc5ccccc5o4)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZLWLCCVAZXNM-UIJXAYEMSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(CCc4ccccc4)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJOWSBBALFWRH-ITNZDWJRSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc(S(C)(=O)=O)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(-c4cc5ccccc5o4)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCZYKGBLSVYDH-PHGZYIHRSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc(S(C)(=O)=O)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(-c4ccc5ccccc5c4)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVNPBFXLGKAIBW-BDZFXUJZSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc([S+](C)[O-])cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAMLGSWLMGTQCR-PZXMZKPCSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc(S(N)(=O)=O)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBRYDBXOEZYXPV-NGKQEFFVSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc(S(C)(=O)=O)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVKLXVZKQEZQJ-VATRQPNGSA-N", "SMILES:CN1CCCCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4582512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGHDPWZRELJRPY-BCIKFTALSA-N", "SMILES:C[C@@H]1CCN(C)C(=O)C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CN2C(=O)[C@H](CCc3ccccc32)NC(=O)C[C@H](Cc2ccc(Cl)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGHDPWZRELJRPY-PLUSWFGESA-N", "SMILES:C[C@H]1CCN(C)C(=O)C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CN2C(=O)[C@H](CCc3ccccc32)NC(=O)C[C@H](Cc2ccc(Cl)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFQKAYDZQXYJD-BJPRFLMGSA-N", "SMILES:CN1CCCN[C@@H](Cc2ccc(S(C)(=O)=O)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(/C=C/c4ccccc4)c3)CC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGEVBIDQMYTWFL-ZHALLVOQSA-N", "SMILES:CN1CCC[C@@H](N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C(=O)[C@H]2CC[C@H](C)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGEVBIDQMYTWFL-LNLFQRSKSA-N", "SMILES:CN1CCC[C@H](N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C(=O)[C@H]2CC[C@H](C)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMRUVINQUKSEC-ZDUSSCGKSA-N", "SMILES:CC(C)(C)[C@H](CC(=O)O)Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXSOZOVMBHTWRD-LJQANCHMSA-N", "SMILES:C[C@](CC(=O)O)(Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLWQRKNCYXQRGD-ZDUSSCGKSA-N", "SMILES:CC(C)(C)[C@H](CC(=O)O)Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMRUVINQUKSEC-CYBMUJFWSA-N", "SMILES:CC(C)(C)[C@@H](CC(=O)O)Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDRXKDQIWUGFQV-OAHLLOKOSA-N", "SMILES:CC1([C@@H](CC(=O)O)Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLWQRKNCYXQRGD-CYBMUJFWSA-N", "SMILES:CC(C)(C)[C@@H](CC(=O)O)Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIROWKZMLHURCA-UHFFFAOYSA-N", "SMILES:CC1(C(CC(=O)O)Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFJUQOGQEFXVOS-CQSZACIVSA-N", "SMILES:CCC(C)(C)[C@@H](CC(=O)O)Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL959", "category": ["biolink:ChemicalEntity"], "name": "RIMANTADINE", "xref": ["InChIKey:UBCHPRBFMUDMNC-UHFFFAOYSA-N", "SMILES:CC(N)C12CC3CC(CC(C3)C1)C2"], "synonym": ["Rimantadine", "Rimantadine", "Rimantadine", "Rimantadina", "Rimantadine", "Rimantadine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL1235691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBCHPRBFMUDMNC-AAWJQDODSA-N", "SMILES:C[C@@H](N)C12CC3CC(CC(C3)C1)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3392935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBCHPRBFMUDMNC-JKJWBTBISA-N", "SMILES:C[C@H](N)C12CC3CC(CC(C3)C1)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5284791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAQJHSXBVHUQT-OYKKKHCWSA-N", "SMILES:COC(=O)/C(=C\\c1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMQRRVMTPZWOL-QRQIAZFYSA-N", "SMILES:C/C(=N/OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBAOBUQXJQYRG-PXNMLYILSA-N", "SMILES:CC(C)OC(=O)c1ccc(NC(=O)Cc2ccc(/C=C3\\SC(=O)NC3=O)cc2[N+](=O)[O-])nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKDXGPZDQVEDN-UHFFFAOYSA-N", "SMILES:COc1cc(Br)cc(CC2SC(=O)NC2=O)c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUVRMBIEPYOKL-WMVCGJOFSA-N", "SMILES:C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL339359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOSMLZOMKXVTCW-UHFFFAOYSA-N", "SMILES:CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17805", "category": ["biolink:ChemicalEntity"], "name": "BRL-48482", "xref": ["InChIKey:ZYKPNHFCNSVFNF-UHFFFAOYSA-N", "SMILES:CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLTAACGAMYRNJR-PDGQHHTCSA-N", "SMILES:Cc1ccc(C)c(/C=C2\\SC(=O)N(CCC(=O)Nc3ccccc3O)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGPXOYLPJLKSG-UHFFFAOYSA-N", "SMILES:CCc1ccc(CCOc2ccc(CC3SC(=O)N(CCCCCCC#N)C3=O)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWISSHKACIMAJY-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(F)cc1F)C(=O)Nc1nc(CC(=O)O)c(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZOHADNJTCNQSA-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(F)cc1F)C(=O)Nc1ncc(Oc2ccc(C(=O)O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBIMHAVFPIUOAR-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1nc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZFQKQUQDYXJJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2cnc(NC(=O)C(Oc3ccc(F)cc3F)c3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITXSFAYYFSSIT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2cnc(NC(=O)C(Oc3ccc(F)cc3F)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEBTXTWYHAOXQW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2cnc(NC(=O)C(Oc3ccc(F)cc3F)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFUEUNGZVAEIX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2cnc(NC(=O)C(Oc3ccc(F)cc3F)c3ccc(S(=O)(=O)C4CC4)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADFQILDNJCDLS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2cnc(NC(=O)C(Oc3ccc(F)cc3F)c3ccc(S(=O)(=O)C4CCOCC4)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBROIZORAJPUHW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Oc2cnc(NC(=O)C(Oc3ccc(F)cc3F)c3ccc(S(=O)(=O)C4CC4)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWUVJZDDFSOFR-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(Oc2cnc(NC(=O)C(Oc3ccc(F)cc3F)c3ccc(S(=O)(=O)C4CC4)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJAHKYGEWAFNQW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cc2cnc(NC(=O)C(Oc3ccc(F)cc3F)c3ccc(S(=O)(=O)C4CC4)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSNYDEMDJGXMRY-UHFFFAOYSA-N", "SMILES:O=C(O)C#Cc1cnc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)C3CC3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFUEUNGZVAEIX-XMMPIXPASA-N", "SMILES:O=C(O)c1ccc(Oc2cnc(NC(=O)[C@H](Oc3ccc(F)cc3F)c3ccc(S(=O)(=O)C4CC4)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFUEUNGZVAEIX-DEOSSOPVSA-N", "SMILES:O=C(O)c1ccc(Oc2cnc(NC(=O)[C@@H](Oc3ccc(F)cc3F)c3ccc(S(=O)(=O)C4CC4)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFBOPUAFDNRAFW-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(F)cc1F)(C(=O)Nc1nc(CC(=O)O)c(Cl)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHCZFQKDSCADKT-VZYDHVRKSA-N", "SMILES:COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOSLDFGEVGMJF-VZYDHVRKSA-N", "SMILES:COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNTNAMBVXPTMQO-VEIFNGETSA-N", "SMILES:CCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBTWRYFDAUETA-ZMBIFBSDSA-N", "SMILES:CCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFPHLPHMCPHTD-ZMBIFBSDSA-N", "SMILES:CC(C)C(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIQXEUZWUATST-GNAFDRTKSA-N", "SMILES:O=C(NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O)C1CCCC1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPWSKWDOMYLZPK-VEIFNGETSA-N", "SMILES:COCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWMRJJNLZLAAW-ZMBIFBSDSA-N", "SMILES:COCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJISLSPZZIQUSJ-GNAFDRTKSA-N", "SMILES:O=C(NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O)C1CCOCC1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKEYBQUXJBIQQC-GNAFDRTKSA-N", "SMILES:COCCCC(=O)N(C)CCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYJVWUPKXCVBCP-VZYDHVRKSA-N", "SMILES:CCCNC(=O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPHHEQOLOPZPH-VZYDHVRKSA-N", "SMILES:COCCNC(=O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUAXCMATZNBPLK-UHFFFAOYSA-N", "SMILES:C#CCOc1noc2c1CNCCC2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKOJNDQXGXWSS-SNAWJCMRSA-N", "SMILES:C/C=C/Cn1cc(-c2ccc(C(C)(C)O)cc2)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVJYOLRRZZUUOE-AATRIKPKSA-N", "SMILES:C/C=C/Cn1cc(-c2ccc(C(C)(C)O)cc2OC)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVMOJFHRHLLSOT-BQYQJAHWSA-N", "SMILES:C/C=C/Cn1cc(-c2cc(OC)c(C(C)(C)O)cc2OC)c2cc(C)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGOZUFGBTSAWEI-NSCUHMNNSA-N", "SMILES:C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)cc2)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POICMTYCJMMADL-ONEGZZNKSA-N", "SMILES:C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)cc2)c2cc(C)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZXYEFDJOXHGJ-ONEGZZNKSA-N", "SMILES:C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c2cc(C)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKOQEHRVJBOCH-SNAWJCMRSA-N", "SMILES:C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(C)c2)c2cc(C)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAKOVGAYWUDIT-ONEGZZNKSA-N", "SMILES:C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(C#N)c2)c2cc(C)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVBQIZYXLUVYRI-SNAWJCMRSA-N", "SMILES:C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(OC)c2)c2cc(C)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWTDDBIMDSVPTR-AATRIKPKSA-N", "SMILES:C/C=C/Cn1cc(-c2cc(OC)c(C(=O)N3CCOCC3)cc2OC)c2cc(C)[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOEVRLRLWWSOQD-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OC(C)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVPRGYOUSQIOB-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OC(CC)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHPVCNCCDDESOD-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccccc2)c(-c2ccc(F)cc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKPFKMRLVJZAER-UHFFFAOYSA-N", "SMILES:CCc1c(-c2ccc(F)cc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKOHKZNRTKWMBM-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(C2CC2)nc2ccc(Cl)cc2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRWKMXASDHXSW-UHFFFAOYSA-N", "SMILES:CCN(C)c1nc2c(Cl)cc(Cl)cc2c(-c2ccccc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKGOGCNEVPJAB-UHFFFAOYSA-N", "SMILES:CCN(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSIEZUINFOQFH-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2c(N3CCCCC3)nc3ccc(Cl)cc3c2-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUXQAVNHOCPUSH-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTWZFXKPCJMAI-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2ccc(C(F)(F)F)cc2c(-c2ccccc2)c1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTAAEQZYEFGHGG-UHFFFAOYSA-N", "SMILES:CCC(CC)c1nc2cc(F)c(Cl)cc2c(-c2ccccc2)c1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFHIGYPDALGOX-UHFFFAOYSA-N", "SMILES:Fc1cc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVFVCWWTTQCZRK-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2cc(F)c(Cl)cc2c(-c2ccccc2)c1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQHFZNBCISVBS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3930938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDTYXZFDMKYTCF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)ccc1-c1ccc(F)cc1)NC1(C(=O)O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZCRNUIWAXZIST-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)c(F)cc1-c1ccccc1)NC1(C(=O)O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZSVPIUPDFCIQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(Cl)c1-c1ccccc1)NC1(C(=O)O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZSZOARSNJNBDV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ccc1-c1ccccc1)NC1(C(=O)O)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZGQUMLLPVAPJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1sccc1S(=O)(=O)n1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL364141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVHKYPINALNKJJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1S(=O)(=O)n1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJJJOMMWPVJMH-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQAKVYGASUTQHH-UHFFFAOYSA-N", "SMILES:O=C(O)CCCn1c2ccccc2c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL183802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTGIFLTIGHZKM-UHFFFAOYSA-N", "SMILES:Cc1cn(S(=O)(=O)c2ccsc2C(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWCXOICWFZXTET-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1ccn2S(=O)(=O)c1ccsc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHJCWTUUPTZSP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(ccn2S(=O)(=O)c2ccsc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYLXRVWRGLBIKG-UHFFFAOYSA-N", "SMILES:Cc1ccc2ccn(S(=O)(=O)c3ccsc3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVFTRLOIYYFDJ-UHFFFAOYSA-N", "SMILES:COc1cccc2c1ccn2S(=O)(=O)c1ccsc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL183798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIYNXAHWZQTML-UHFFFAOYSA-N", "SMILES:COc1ccc2c(ccn2S(=O)(=O)c2ccsc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSKXJCOXGHXOJ-UHFFFAOYSA-N", "SMILES:COc1ccc2ccn(S(=O)(=O)c3ccsc3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLXSURAEHBVKIS-UHFFFAOYSA-N", "SMILES:COc1cccc2ccn(S(=O)(=O)c3ccsc3C(=O)O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFWRYAAVFIYWMZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1sccc1S(=O)(=O)n1ccc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNNDPMITDLLAU-UHFFFAOYSA-N", "SMILES:O=C(O)c1sccc1S(=O)(=O)n1ccc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVOOOKIAMVHSAJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1sccc1S(=O)(=O)n1ccc2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYGWKDDRPATRQB-UHFFFAOYSA-N", "SMILES:O=C(O)c1sccc1S(=O)(=O)n1ccc2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQKIGUKPIREMSU-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1cn(S(=O)(=O)c2ccsc2C(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBAOKNXTXGWCMO-UHFFFAOYSA-N", "SMILES:Cc1cn(S(=O)(=O)c2ccccc2C(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVUAMOXCTUQEP-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1ccn2S(=O)(=O)c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMSNYRQHDBSPKG-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCAOTQNBGWPSPV-UHFFFAOYSA-N", "SMILES:COc1cccc2c1ccn2S(=O)(=O)c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQQRNJVZOJLXOO-UHFFFAOYSA-N", "SMILES:COc1ccc2ccn(S(=O)(=O)c3ccccc3C(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL362888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOPLEXTOUMMNP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1S(=O)(=O)n1ccc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZDWZUMVMDEAG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1S(=O)(=O)n1ccc2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEPJVQJMLQBLOE-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDBHGUOSOKOIAX-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(O)cc(C(F)(F)F)n1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNCRMWAVZITOLY-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nc(O)cc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQEVHVBFOBODGG-UHFFFAOYSA-N", "SMILES:O=C(CNc1nc(O)cc(C(F)(F)F)n1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL182801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDKDRAJALDYVKQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(O)cc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMVURULNKHCLPN-UHFFFAOYSA-N", "SMILES:Oc1cc(C(F)(F)F)nc(NCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTBMXECNLFHKRV-UHFFFAOYSA-N", "SMILES:Oc1cc(C(F)(F)F)nc(NCc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFYAUOJYFDZXOB-UHFFFAOYSA-N", "SMILES:Oc1cc(C(F)(F)F)nc(NCc2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDHBMLNLUXXLA-UHFFFAOYSA-N", "SMILES:Oc1cc(C(F)(F)F)nc(NCc2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBWCOXNFMDESCM-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(O)cc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCWSRHGKRAUDNW-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(Cl)cc1)c1nc(O)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUMQWHUEVOAWCR-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1nc(O)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODSYYKHDOZKNE-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc(O)cc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMGGNNDNQRBJG-UHFFFAOYSA-N", "SMILES:CCc1cc(O)nc(NCc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDONBBWFRSZVOY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c3c(nc(C4(CO)CCCC4)c2-c2nnn[nH]2)CCCCC3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYHUAQNUJEKHA-UHFFFAOYSA-N", "SMILES:CCCCCC1CCc2nc(C3(COC)CCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTDJMYDWZGVPK-UHFFFAOYSA-N", "SMILES:c1cc(-c2c3c(nc(C4CCCCC4)c2-c2nnn[nH]2)CCCCC3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFQKPZYXQRVDU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c3c(nc(C4CCCCC4)c2-c2nnn[nH]2)CCC(C(F)(F)F)C3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPFDXQDUWKIKF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c3c(nc(C4CCCC4)c2-c2nnn[nH]2)CCC(C)C3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBYPSJXNOOGWGK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c3c(nc(C4(C)CCCC4)c2-c2nnn[nH]2)CCCCC3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFBAMFIGZEDER-UHFFFAOYSA-N", "SMILES:O=C(c1nc2cccc(Cl)c2nc1O)N1CCCC1Cc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FORQANAYPSMAGB-UHFFFAOYSA-N", "SMILES:O=C(c1nc2ccccc2nc1O)N1CCCC1C(O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSPPMSFNLEJTM-UHFFFAOYSA-N", "SMILES:O=C(c1nc2ccccc2nc1O)N1CCCC1CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIDIIWHEKRIOQB-UHFFFAOYSA-N", "SMILES:O=C(c1nc2ccccc2nc1O)N1CCCC1Cn1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHYHJFKXAMKKX-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)C1CCCN1C(=O)c1nc2ccccc2nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEJGNSQZJLYDL-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1-c1c(-c2cccc(OC(C)C)c2)n(CCC(=O)O)c2ccc(C3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3813892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDGPJKJSHQJFB-UHFFFAOYSA-N", "SMILES:COc1cnccc1-c1c(-c2ccccc2)n(CCC(=O)O)c2ccc(C3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXDDSUVIVWHNN-UHFFFAOYSA-N", "SMILES:O=c1c(Cl)c(COc2cccc(Cl)c2C2CC2)[nH]c2nc(-c3ccccc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEPOAHRJJMETTF-UHFFFAOYSA-N", "SMILES:COc1cccc(Cl)c1NCc1cc(=O)n2nc(-c3ccccc3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHVIJKRBBVPOP-UHFFFAOYSA-N", "SMILES:COC(C(=O)Cc1cnc(NC2CCN(c3cncnn3)C2)s1)c1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFOLUQGDALUMQ-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1-c1nncc(Nc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPLAHTOPRYAYHA-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nncc(Nc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKWOYNVIRULBN-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1-c1nncc(Nc2ccc(OC(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDKFZKYXFTQFJ-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nncc(Nc2ccc(OC(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXMCKHGECAZHMF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Nc2cnnc(-n3c(C4CC4)nc4ccccc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMNWOBYRUDVANF-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(Nc2cnnc(-n3c(C4CC4)nc4ccccc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVJCXMEFSRARU-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(F)cc2n1-c1nncc(Nc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVFALDUQVDKRP-UHFFFAOYSA-N", "SMILES:Fc1ccc2nc(C3CC3)n(-c3nncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAULWBRGVXOQCR-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cnnc(-n3c(C4CC4)nc4ccccc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNPSWQKNWWFCPR-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1nncc(Nc2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDAXQVRLYNWDH-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNONBRDLWULPE-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGUXJMPOCIUQI-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQENXRLFMLEFCH-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNUUPDDFOJNOE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Nc2nncc(-n3c(C4CC4)nc4ccccc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQVYVDGJGECEY-UHFFFAOYSA-N", "SMILES:Fc1ccc2nc(C3CC3)n(-c3cnnc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQLWICSGMLSLCT-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(OC(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOLHWQYNZXFJU-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(OC(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPTIEXUBDPKSMC-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(Nc2nncc(-n3c(C4CC4)nc4ccccc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKNDXGKBTJRVSQ-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1-c1cnnc(Nc2ccc(OC(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQOYRUKHKXAAJW-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1cnnc(Nc2ccc(OC(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDYCFKPDEOLUNU-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nncc(-n3c(C)nc4ccccc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJHGGVKEBHRYSZ-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1cnnc(Nc2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLACEECLLIGOSO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nncc(-n3c(C)nc4ccccc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBUWCKCDBCJNY-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1-c1cnnc(Nc2ccc(C)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPIMUOCXLJHHIG-UHFFFAOYSA-N", "SMILES:CC(C)C(Nc1cnnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(=O)NCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYQPWCZIULWLQY-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=O)C(C)(C)Nc1cnnc(-c2c[nH]c3ncc(F)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJPPGMWXEGSNII-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=O)C(C)(C)Nc1cnnc(-c2c[nH]c3ncc(C#N)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWMDKQIEVFKCP-UHFFFAOYSA-N", "SMILES:CC(Nc1cnnc(-c2c[nH]c3ncc(C#N)cc23)n1)C(=O)NCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNUPUXMDNEBER-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNC(=O)C(C)(C)Nc1cnnc(-c2c[nH]c3ncc(C(N)=O)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZKDZIINPUTOS-UHFFFAOYSA-N", "SMILES:CC(Nc1cnnc(-c2c[nH]c3ncc(C(N)=O)cc23)n1)C(=O)NCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGGAQAOLRNLLF-UHFFFAOYSA-N", "SMILES:CC(C)C(Nc1cnnc(-c2c[nH]c3ncc(F)cc23)n1)C(=O)NCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOIMKOZFASQDGO-UHFFFAOYSA-N", "SMILES:CC(C)C(Nc1cnnc(-c2c[nH]c3ncc(C#N)cc23)n1)C(=O)NCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTVFLYLCQTOPX-UHFFFAOYSA-N", "SMILES:CC(C)C(Nc1cnnc(-c2c[nH]c3ncc(C(N)=O)cc23)n1)C(=O)NCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMYUXATSWYGOK-UHFFFAOYSA-N", "SMILES:COc1cnc2[nH]cc(-c3nncc(NC(C(=O)NCC(C)(C)C)C(C)C)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQNRXITKTZFMF-NWDGAFQWSA-N", "SMILES:NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3965225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENVSGVOOLTVHM-QWHCGFSZSA-N", "SMILES:Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCMFOKWTLGGCL-QWHCGFSZSA-N", "SMILES:Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSQMUQFRXXYSAM-SMDDNHRTSA-N", "SMILES:NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGJHRMSEHCXAOV-WCQYABFASA-N", "SMILES:Cn1ncc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3967315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYSRRCMPCBHEP-SMDDNHRTSA-N", "SMILES:Cn1cc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOXPQFKHIQUEH-NWDGAFQWSA-N", "SMILES:NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2c(Cl)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3930413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDVATUJTUBWHD-QWHCGFSZSA-N", "SMILES:N#Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3962915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTVNHHINGTFKX-GXFFZTMASA-N", "SMILES:NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHSJTSJVGFQSW-NWDGAFQWSA-N", "SMILES:NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cc(F)cc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL251015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFYPWBCTUYQPBH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSHQMSATUUIMTE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(N)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL231220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQACVRFKZIYHIM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(O)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYYOOSZONDKJY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNIHOCVIXALIH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(OCCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBCRHVIVBADKJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(C(=O)NCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBSWOZYEQBJUFW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(C(=O)N4CCNCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOLMOXTZYVGLLE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLGODHJIZJMGY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNZEKZYZPDLDQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(S(N)(=O)=O)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJIAFNBGYLQEX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIERBQRLJVMINP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQGBWBIZJFJQOS-UHFFFAOYSA-N", "SMILES:CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(-c4cc(Cl)ccc4O)cc(C)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKAIVULOSFXKNT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(S(=O)(=O)N(CCN4CCCC4)C(C)C)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBOKZWXIWPJSE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCOCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBDTXFBDQXGKME-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(S(=O)(=O)N4CCNCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFKXCWDUJVCMDB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMGMBHUKWGOOQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ccc2O)cc2nnc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRHNPBNMURREE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN1CCC(S(=O)(=O)c2ccc(Nc3nnc4cc(-c5cc(Cl)ccc5O)cc(C)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL400303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWEHYQSGMOUIRZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(Cl)ccc(O)c2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSXVLYGUGWXOAL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(Cl)ccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTPEUDRFUOZSX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(F)ccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL398279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJVISBGKRJRTQV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(O)ccc2Br)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJSFAHMGDRBZGH-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVHFAUADDZADAN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnn3cccc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRMGRIXDIZXRO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnn3ccc(C)c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJHLXRPLVJJDL-UHFFFAOYSA-N", "SMILES:Cc1cc2c(Nc3ccc(C)c(O)c3)ncnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSREJILCYZENK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnn3cc(C)c(C)c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBRJDZMKPNHMU-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2ncnn3cccc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQUDAGONIFHBJH-UHFFFAOYSA-N", "SMILES:Cc1ccn2ncnc(Nc3ccc(F)c(Cl)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJLCKPQILXEAQP-UHFFFAOYSA-N", "SMILES:Cc1cc2c(Nc3ccc(F)c(Cl)c3)ncnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQQVIVRWSLWHO-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3ccc(F)c(Cl)c3)ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFAYCQKPUDKQJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnn3c(C)ccc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJOXMKASEXHOQP-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2nnc(Nc3ccncc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJPZKGPXRXNAA-UHFFFAOYSA-N", "SMILES:NC(=O)c1nn(CCO)cc1NC(=O)c1ccc2cnc(NC3CCCCC3N)nn12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFYSLJXNTPJWKP-UHFFFAOYSA-N", "SMILES:CCn1cc(NC(=O)c2ccc3cnc(NC4CCCCC4N)nn23)c(C(N)=O)n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHVTNKYCLQKDQ-UHFFFAOYSA-N", "SMILES:Cn1cc(NC(=O)c2ccc3cnc(NC4CCCCC4N)nn23)c(C(N)=O)n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDPMJBVZEKVFHD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nn(C)cc1NC(=O)c1ccc2cnc(NCCN)nn12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWGYSBIEFYLAPE-UHFFFAOYSA-N", "SMILES:NCCNc1ncc2ccc(C(=O)Nc3cn(CCO)nc3C(N)=O)n2n1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLEHHVDVGRMINA-BRVVTCAVSA-N", "SMILES:CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL159580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCWCMLUKDMZGT-ZKMPZPQNSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QABDDUUDPMRFGG-XZOQPEGZSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)O)cc1"]}
{"name": "O-acetylserine sulfhydrylase", "xref": ["CHEMBL.TARGET:CHEMBL2321612"], "id": "UniProtKB:P9WP55", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMMGJYWGPFRVFI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(=O)O)c1)Nc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTGIWPRRZNPAR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSOZRCXZPXJSU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=O)Nc2ccccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGDOXHWOBCAOTE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NS(=O)(=O)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)c1"]}
{"name": "O-phosphoserine sulfhydrylase", "xref": ["CHEMBL.TARGET:CHEMBL5291595"], "id": "UniProtKB:P9WP53", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"name": "S-sulfocysteine synthase", "xref": ["CHEMBL.TARGET:CHEMBL5291594"], "id": "UniProtKB:Q79FV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJUJZHPFSHEAMU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccccc2)c1)Nc1ccc(C(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRISALGJKGCDGB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccccc2)c1)Nc1ccc(O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDDBXYVKMODRJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)Nc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1597669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVLALCHSFACLK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFWDABZAQFUBL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)Nc1ccc(C(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCRWVKJQQIRNE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJWKCNFIGDPKGE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nnn[nH]2)c1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL86281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTXMIMSGWRIMV-UHFFFAOYSA-N", "SMILES:c1ccc(CCCNCCCN(CCCCN(CCCNCCCc2ccccc2)CCCc2ccccc2)CCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNCQKPGLZYJPGE-UHFFFAOYSA-N", "SMILES:c1ccc(CNCCCNCCCCNCCCNCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQMYWBOSYVNIO-UHFFFAOYSA-N", "SMILES:NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL86096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJIXCJVDARMBER-UHFFFAOYSA-N", "SMILES:c1ccc(CCCNCCCNCCCCNCCCNCCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHYSCWJJGZKOJX-UHFFFAOYSA-N", "SMILES:NCCCCN(CCCN)CCCNc1cc(Cl)ccc1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79129", "category": ["biolink:ChemicalEntity"], "name": "KUKOAMINE A", "xref": ["InChIKey:IOLDDENZPBFBHV-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(O)c(O)c1)NCCCNCCCCNCCCNC(=O)CCc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"name": "Trypanothione reductase", "xref": ["CHEMBL.TARGET:CHEMBL5394"], "id": "UniProtKB:P39040", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5656"]}
{"id": "CHEMBL.COMPOUND:CHEMBL80264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDNFYAVTEKGNKD-UHFFFAOYSA-N", "SMILES:NCCCNCCCCNCCCNC(=O)CCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQLQIUTLWLKAX-UHFFFAOYSA-N", "SMILES:CN1CCN(CCC(=O)Nc2cc(Cl)ccc2Sc2cccc(NC(=O)CCCC(=O)Nc3cccc(Sc4ccc(Cl)cc4NC(=O)CCN4CCN(C)CC4)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRHLZFLBXIHEDJ-UHFFFAOYSA-N", "SMILES:CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)Nc3cccc(Sc4ccc(Br)cc4NC(=O)CCN4CCN(C)CC4)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXARWFANMQAPH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCCC(=O)N(CC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CCN2CCN(C)CC2)c1)C(=O)Nc1ccccc1Sc1ccc(Br)cc1NC(=O)CCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHWRICQFONUDJ-UHFFFAOYSA-N", "SMILES:NCCCN1CCN(CCCNC2=C(c3c[nH]c4ccccc34)C(=O)N(CCCN3CCN(CCCN)CC3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUOHDSXCMCQGH-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)CCCNC(=O)CCCC1=C(CCCC(=O)NCCCN(CCCC)CCCC)C(=O)c2c(O)cccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYFFOGIKOQTEBD-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCNC(=O)CCCCCC2=C(CCCCCC(=O)NCCCN3CCN(C)CC3)C(=O)c3c(N)cccc3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJIBLJQAPRUBQT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOUQIQJKBIXEO-CRKOEVGVSA-N", "SMILES:CCCNCCCNC(=O)CNC(=O)[C@H](CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCCCNCCC)NC(=O)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNELDCFOTDEPEA-TYBYDDOHSA-N", "SMILES:CCCNCCCNC(=O)CNC(=O)[C@H](CC(Br)C(Br)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCCNCCC)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL311566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWBDFIPDKIARNS-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCNc2cc(Cl)ccc2Sc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL305575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEZSFOTIHPSFT-UHFFFAOYSA-N", "SMILES:c1ccc2cc(CNCCCCNCCCNCc3ccc4ccccc4c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDRYSJINSXWXST-UHFFFAOYSA-N", "SMILES:c1ccc(CCCNCCCCN(CCCNCCCc2ccccc2)CCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL85779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYFGEJYZNEXPN-UHFFFAOYSA-N", "SMILES:NCCCNCCCCNCCCNCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNIJIFYHWWRHJN-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(Cl)ccc1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDFKGSZXLSSPD-UHFFFAOYSA-N", "SMILES:Clc1ccc(Sc2ccccc2)c(NCCN2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPCOFKDMRCYLT-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)CN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccc(Cl)cc21"]}
{"name": "Trypanothione synthetase", "xref": ["CHEMBL.TARGET:CHEMBL5291598"], "id": "UniProtKB:O60993", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5656"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNVWHPFLMFYID-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)N(CCCN1CCN(CCCc3ccccc3)CC1)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFWMEQBIYVETAG-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(OS(=O)(=O)c3cccs3)c2)nc2c1c(=O)oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKFLBSBSMGLFEA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Oc1cccc(-c2nc(N)c3c(=O)oc4ccccc4c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSVGYOZUXAGLPI-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(OS(=O)(=O)c3ccccc3)c2)nc2c1c(=O)oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVBEYRJMYJUDW-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)nc2c1c(=O)oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBKBRUBDQMSMFO-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(S(=O)(=O)Oc2cccc(-c3nc(N)c4c(=O)oc5ccccc5c4n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYANQEVUYSLCSO-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Oc2cccc(-c3nc(N)c4c(=O)oc5ccccc5c4n3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQGZXLJDWIJDQ-MASCHLQQSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCc5ccccn5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEQNBHYHQKBQD-PNHLWVRCSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCCN5CCCC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWGIZCPQLOERU-ZNOUKXQUSA-N", "SMILES:CC[C@]12CC[C@@H]3c4ccc(OCCCN5CCCC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORNPDADRIGIFO-LSVBPWPTSA-N", "SMILES:C[C@@H]1Cc2cc(OCCCN3CCCC3)ccc2[C@H]2CC[C@]3(C)[C@@H](N4CCCC4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBHOBCZCVGHUSQ-MASCHLQQSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCN5CCCC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPNHCYTOLQTJQ-ZNOUKXQUSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCCCN5CCCC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEQNBHYHQKBQD-YORHAQRYSA-N", "SMILES:C[C@@]12CC[C@@H]3c4ccc(OCCCN5CCCC5)cc4CC[C@H]3[C@@H]1CCC2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRANDDJFXGLTGA-MZPPDMDNSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCCN5CCC(C(N)=O)CC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBHILSPRBDBBDX-ZNOUKXQUSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCCN5CCC(O)CC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFNXVVQUHFIDFN-WFVPVVLXSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCCN5CCC(O)C5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHDMAKZPRQFAR-KQLGDFJMSA-N", "SMILES:CC(=O)C1CCN(CCCOc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](N4CCCC4)CC[C@@H]23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLISAYWDMSAMTN-OKSFETJPSA-N", "SMILES:CC1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](N3CCCC3)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLISAYWDMSAMTN-CCZABBAYSA-N", "SMILES:C[C@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](N3CCCC3)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIRRGFQDQGSWPP-GVGNIZHQSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCCN5CCNC(=O)C5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHNAORVEXRBMID-YOGXEWEVSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCCN5CCCCCC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191703", "category": ["biolink:ChemicalEntity"], "name": "CONESSINE", "xref": ["InChIKey:GPLGAQQQNWMVMM-MYAJQUOBSA-N", "SMILES:C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C"], "synonym": ["Conessine", "Conesina", "NSC-119994"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5288750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBJPHKBMEPBIQC-FLMSMKGQSA-N", "SMILES:C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OCCCN5CCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZCOANZFSQVZEL-MASCHLQQSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCc5ccncc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPKSGDPFJUHCN-MASCHLQQSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCc5cccnc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYUQHENAGOYXKE-MASCHLQQSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCc5ccc(Cl)cn5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOMJBTLSGVNNKT-PHFAPCFBSA-N", "SMILES:CN1CCC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTQHSOKAFAEDL-PNHLWVRCSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHPYDZCLEPCDRX-UHFFFAOYSA-N", "SMILES:Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=S)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVVINNGENCATC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Br)c(Nc3ccc4ccn(C)c4c3)n2)c(OC)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHAOZWQPTQQXGN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3)CCC4)n2)c(OC)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLEZAWMTXUDFLE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5[nH]ccc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZEBBZIOFFFKAG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(Nc4ccc5[nH]ccc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSQGPWMOQMTFAA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccc5[nH]ccc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCWHBCVZDGOED-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccc5[nH]ccc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZFJKCKOFYZDEI-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULVHNBTUFJZLT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc5[nH]ccc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSWRZDDBJSGSPL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Br)c(Nc4ccc5[nH]ccc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTVOJFWRBBVMU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Nc4ccc5[nH]ccc5c4)c4cn[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHJBIHGNMMEXIJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Br)c(Nc4ccc5cc[nH]c5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEHBYMAQEWSDGM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Br)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYUCQBGAJNBHJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Br)c(Nc4ccc5[nH]c(Cc6cccc(F)c6)cc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQFMQEAYKCKJBR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Br)c(Nc4ccc5ccn(C)c5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZJHDXJXKPRGL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Br)c(Nc4ccc5c(c4)CCC5)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYBNHNDGYUHSD-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(Nc3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTQMPMIHSVRCG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2ccc(Nc3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCKNXFDIDBDRKP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Br)c(Nc4ccc5ncccc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEREVFTNLDBIE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Br)c(Nc4ccc5nccnc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULXXDDBFHOBEHA-QDLOVBKTSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXBDRFBFAACQK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Br)c(Nc3ccc4cc[nH]c4c3)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUBJFSTQHOKJF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Br)c(Nc3ccc4cc[nH]c4c3)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLPFNUQGIEEHA-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2ncc(Br)c(Nc3ccc4cc[nH]c4c3)n2)c(OC)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBMGMFEIOWCQX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Br)c(Nc3ccc4ccn(C)c4c3)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVUIZHQJAQHKT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3)CCC4)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWACGSDFEQNCCR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3)CCC4)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYESCIXRHMVHNV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(Nc3ccc4c(ccn4C)c3)n2)c(OC)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL374332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELSZEIUODNEBT-RGEXLXHISA-N", "SMILES:Cc1cc(/C=C2\\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)n1-c1ccccc1"]}
{"name": "Homeobox-leucine zipper protein PROTODERMAL FACTOR 2", "xref": ["CHEMBL.TARGET:CHEMBL5291530"], "id": "UniProtKB:Q93V99", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUOUOJPSSXTET-GZTJUZNOSA-N", "SMILES:O=C(O)CCCCCN1C(=O)/C(=C\\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCZJGAFQKNSEX-DAXSKMNVSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccco2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUCIKRVCMDNPU-XFFZJAGNSA-N", "SMILES:COc1ccc(/C=C2\\SC(=S)N(CCC(=O)O)C2=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSVYHLVHOHWFP-AIMXQVSHSA-N", "SMILES:CN(C)c1ccc(/C=C/C=C2\\S/C(=N\\c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JINUYEMGHKIEKW-ADDAYVOGSA-N", "SMILES:CCn1c(=O)/c(=C/Nc2cccc(CCN3CCCC3)c2)s/c1=C(\\C#N)C(=O)NC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCGVNUOIMRLKP-ZDSKVHJSSA-N", "SMILES:COc1ccc(/C=C2\\SC(NCCCN3CCN(CCCNC4=NC(=O)/C(=C/c5ccc(OC)cc5)S4)CC3)=NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJFXWSPUWDWLPL-UVTDQMKNSA-N", "SMILES:CONC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXAPQGDBWFYKKX-ZROIWOOFSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C/c3ccc(C)o3)S2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNEACARJKXYVND-NTEUORMPSA-N", "SMILES:CCc1ccc(/C=C2/SC(NC(C(=O)O)c3ccc(F)cc3)=NC2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNEACARJKXYVND-ZROIWOOFSA-N", "SMILES:CCc1ccc(/C=C2\\SC(NC(C(=O)O)c3ccc(F)cc3)=NC2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL240020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCKLZYTXXXJQS-ZGCWVLQWSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C/C=C/c3ccccn3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQZSZCAEPUQWBO-GDNBJRDFSA-N", "SMILES:O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJNBOILPWXEYGR-GDNBJRDFSA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMUVEBMQVDDYQI-UUYOSTAYSA-N", "SMILES:CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(/C=C4\\SC(=O)NC4=O)cc3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL168831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFRUTEYMLMTACQ-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)C(=O)Cc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLHEIDJNAZEPK-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNYTYLIQLWGIO-UKTHLTGXSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC(=O)c2ccccc2OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5283433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEQBLZMVHHAJH-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccccc2)c2c(NCCCc3ccccc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL356478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYPGJZWAUHDNPD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCn1c(-c3ccc(N(C)C)cc3)nc3ccc([N+](=O)[O-])cc3c1=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMRNOHPZGMUEC-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)nc(-c4ccncc4)nc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBGPQWXCRVPJIS-ACCUITESSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNRAECHCJZNRF-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)C(CC(C)C)N1C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C1C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL27861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKRSOMSQRDCJI-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(CCc5c[nH]c6ccccc56)CC4)ncnc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEPVENPHHIEFKS-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(CCc5c[nH]c6ccccc56)CC4)ncnc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHGFMAYCTYWBIS-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C2CC2)c2c(N3CCN(CCc4c[nH]c5ccccc45)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUYSDBKLMPCVQL-UHFFFAOYSA-N", "SMILES:N#Cc1cn(-c2ccccc2)c2c(N3CCN(CCc4c[nH]c5ccccc45)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNOYANQUMZAJJD-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccccc2)c2c(N3CCN(CCc4c[nH]c5ccccc45)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCALTFNNQVBTNB-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CCc2ccccc2)c2c(N3CCN(CCc4c[nH]c5ccccc45)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKKLHDHOUSXZOO-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CCCc2ccccc2)c2c(N3CCN(CCc4c[nH]c5ccccc45)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHORVTCTYNRDGE-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQOQBBHDZTQQV-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLUZZMIGGWQRW-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(C#N)c2ncnc(N3CCN(Cc4ccccc4)CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGPQJQXTBPOZLW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2cc(C#N)c3ncnc(N4CCN(Cc5ccccc5)CC4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTXQTCYOKSTKS-UHFFFAOYSA-N", "SMILES:c1ccc2c(CCN3CCN(c4ncnc5c4[nH]c4ccccc45)CC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAIGSQZFDUKMCV-UHFFFAOYSA-N", "SMILES:c1ccc(CCN2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASWRPDYMCAZWTN-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQDGWOFRGACTF-UHFFFAOYSA-N", "SMILES:c1ccc(CCN2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1867679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIVUVQAKBYOKIF-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSNVSFUIHQPOI-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZUKPPSELEOKS-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUUUPJQNNUBMKM-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(CCc5ccccc5)CC4)ncnc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYRIWWKNDGLSL-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(NCCc4c[nH]c5ccccc45)ncnc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWWJUPLADHFZFX-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(CCc5ccncc5)CC4)ncnc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNGRUSULKAQDEF-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(CCc5ccncc5)CC4)ncnc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOKJHROTLIWDND-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(c5ccccn5)CC4)ncnc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCZXUJDOAWVYPR-UHFFFAOYSA-N", "SMILES:Cn1cc(C#N)c2ncnc(N3CCN(CCc4c[nH]c5ccccc45)CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQQSLWAFLBLAP-UHFFFAOYSA-N", "SMILES:CCn1cc(C#N)c2ncnc(N3CCN(CCc4c[nH]c5ccccc45)CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKBREYOSDUWPNK-UHFFFAOYSA-N", "SMILES:CCCn1cc(C#N)c2ncnc(N3CCN(CCc4c[nH]c5ccccc45)CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQDVZLEAJDKCR-UHFFFAOYSA-N", "SMILES:N#Cc1cn(-c2ccccc2)c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBPHZYHJMBJMOL-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CCc2ccccc2)c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHIDOXNFRVYHV-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(C(=O)c5ccco5)CC4)ncnc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHPTFSUJWBSCV-UHFFFAOYSA-N", "SMILES:N#Cc1c2n(c3c(N4CCN(C(=O)c5ccco5)CC4)ncnc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMLTZJGBKJKHM-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADFKFONVFWGKS-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2cc(C#N)c3ncnc(N4CCN(CCc5ccccc5)CC4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWZYKCDRAQMJK-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVBLJETUJLRUDS-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2040589", "category": ["biolink:ChemicalEntity"], "name": "MARCHANTIN A", "xref": ["InChIKey:LLMFFOXSSQHNFR-UHFFFAOYSA-N", "SMILES:Oc1cc2cc(c1O)Oc1ccc(cc1)CCc1cccc(O)c1Oc1cccc(c1)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4636425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZWUCNAHXFISF-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(CCc2ccccc2)cc(O)c(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4640352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZWYZUDYLMYHEW-QGZVFWFLSA-N", "SMILES:C=C(C)[C@H]1Cc2c(CCc3ccccc3)cc(O)c(O)c2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5290566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COKMMTSCVUNTGM-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(cc(-c3cc4c(cc3O)CCc3ccc(cc3)Oc3cc(ccc3O)CCc3ccc-4c(O)c3)c1O)CCc1ccc-2c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1795525", "category": ["biolink:ChemicalEntity"], "name": "PUSILATIN B", "xref": ["InChIKey:BCEYHEIQFXPMEX-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(cc(-c3cc4cc(c3O)Oc3ccc(cc3)CCc3cc(O)ccc3-c3ccc(cc3O)CC4)c1O)CCc1ccc-2c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5279154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJNMMLUSUMUVMX-UHFFFAOYSA-N", "SMILES:Oc1cc2cc(c1O)Oc1ccc(cc1)CCc1cccc(O)c1Oc1cccc(c1)CC2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2040593", "category": ["biolink:ChemicalEntity"], "name": "MARCHANTIN B", "xref": ["InChIKey:NCHXANMHUQGJGW-UHFFFAOYSA-N", "SMILES:Oc1cc2cc(c1O)Oc1ccc(cc1)CCc1ccc(O)c(O)c1Oc1cccc(c1)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL458920", "category": ["biolink:ChemicalEntity"], "name": "PERROTETTIN F", "xref": ["InChIKey:QFNWXQOYUAXUAF-UHFFFAOYSA-N", "SMILES:Oc1cccc(CCc2ccc(Oc3cc(CCc4cccc(O)c4)cc(O)c3O)cc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5273538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWISONXGQCSSHQ-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2cccc(Oc3c(O)cccc3CCC3=CCC(O)C=C3)c2)cc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475625", "category": ["biolink:ChemicalEntity"], "name": "RICCARDIN A", "xref": ["InChIKey:DXBKBLARMLPGND-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1ccc-2c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL462746", "category": ["biolink:ChemicalEntity"], "name": "ISOMARCHANTIN C", "xref": ["InChIKey:NTXTVDLVUWOMKO-UHFFFAOYSA-N", "SMILES:Oc1ccc2cc1Oc1ccc(cc1)CCc1cccc(c1)Oc1c(O)cccc1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5285847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDFBKACEWOZHRY-ZULIPRJHSA-N", "SMILES:C=CC(=C)CC[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)CC[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4468731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCZHVLYTYFWOAX-UHFFFAOYSA-N", "SMILES:Oc1cccc(CCc2ccc(Oc3cc(CCc4cccc(O)c4)ccc3O)cc2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4163473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNTKQZXDAYRFBY-UHFFFAOYSA-N", "SMILES:O=c1cc(O)c2ccc(O)c(O)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZNYPFFTGDQBML-UHFFFAOYSA-N", "SMILES:O=c1oc2c(O)c(O)ccc2c(O)c1Cc1c(O)c2ccc(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTSFTNUFHROUDL-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(Cl)cc2c(O)c1C(c1cccc([N+](=O)[O-])c1)c1c(O)c2cc(Cl)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZZVGWFZGNMLK-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(Cl)cc2c(O)c1C(c1ccc(Cl)cc1Cl)c1c(O)c2cc(Cl)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUCYAEGZJMOVSC-UHFFFAOYSA-N", "SMILES:COc1cc(C(c2c(O)c3cc(C)ccc3oc2=O)c2c(O)c3cc(C)ccc3oc2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCRCVUORJCBBR-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(c2c(O)c3cc(C)ccc3oc2=O)c2c(O)c3cc(C)ccc3oc2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAYIRUCODAPLS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2c(O)c3cc(C)ccc3oc2=O)c2c(O)c3cc(C)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRBZJIEZLKCKM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2c(O)c3cc(Cl)ccc3oc2=O)c2c(O)c3cc(Cl)ccc3oc2=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTRWQNKRXAWKEK-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(Cl)cc2c(O)c1C(c1cccc(O)c1)c1c(O)c2cc(Cl)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWKTNMVGAXEBP-UHFFFAOYSA-N", "SMILES:COc1cc(C(c2c(O)c3cc(Cl)ccc3oc2=O)c2c(O)c3cc(Cl)ccc3oc2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLMWWGRZRFXCOJ-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(c2c(O)c3cc(Cl)ccc3oc2=O)c2c(O)c3cc(Cl)ccc3oc2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHIXPFVCHDROHG-UHFFFAOYSA-N", "SMILES:COc1cc(C(c2c(O)c3cc(Cl)ccc3oc2=O)c2c(O)c3cc(Cl)ccc3oc2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3264729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSOOAZQFQXDKGC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2c(O)c3cc(Cl)ccc3oc2=O)c2c(O)c3cc(Cl)ccc3oc2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZZZPYPTPQKMAB-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(Cc3cc4ccc(O)cc4oc3=O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLWXAGMYSMDUKO-UHFFFAOYSA-N", "SMILES:COc1cc2c(O)c(Cc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIILNDNTRBMXPU-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(Cc3c(O)c4cc(O)c(O)cc4oc3=O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOASWASCLNPSI-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1C(c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHURGNPPUJRDAM-UHFFFAOYSA-N", "SMILES:CC(C)CC(NC(=O)c1cc2ccc(O)c(O)c2oc1=O)C(=O)Nc1cc2ccc(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIWYFKUDCJGXDS-UHFFFAOYSA-N", "SMILES:CCCCCCC(NC(=O)c1cc2ccc(O)c(O)c2oc1=O)C(=O)Nc1cc2ccc(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFFXPMIMAPNWFQ-UHFFFAOYSA-N", "SMILES:CC1=CC=CN2C(CC(C)C)C(c3ccc(P(=O)(O)O)o3)=NC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSMBXSQDFPTODV-KVTDHHQDSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATLAFGCICJHDU-UHFFFAOYSA-N", "SMILES:CSc1nc(N)c2nc(-c3ccc(P(=O)(O)O)o3)n(CC(C)(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIHXJZGHVFCVTN-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(C2CCC(P(=O)(O)O)O2)nc2c(N)c(F)cc(CCBr)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMEIXAJSXYITIE-UHFFFAOYSA-N", "SMILES:CCc1cc(F)c(N)c2nc(C3CCC(P(=O)(O)O)O3)n(CC(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZYWHKODCUJOM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(C(=O)NCCc2ccc(O)cc2)N2C(=O)C3Cc4ccc(O)cc4CN3C(=O)C2CC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFDUSMMMYOJKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(O)cc2)cc1-c1ccc(P(=O)(O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVNXDXOZODAHOQ-UHFFFAOYSA-N", "SMILES:CCCC(C)C(=O)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVRZXZHIFZTREK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2[nH]c(Cc3ccc(C(=O)O)o3)nc2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKHRVPVZACRCRQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUAXJYMYDPGRN-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc3ccc(COCc4cn(Cc5ccc(C(=O)O)cc5)c(-c5ccc(Cl)s5)n4)cc3c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCGLWFLRHSQKS-UHFFFAOYSA-N", "SMILES:CC1SC(=O)NN=C1c1ccc2[nH]c(-c3ccc(-n4ccnc4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOVPRACMJLBLEN-UHFFFAOYSA-N", "SMILES:CCC(C)C(=O)c1c(O)cc2oc3c(C(=O)C(C)CC)c(O)cc(O)c3c2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCUTOVXETTYDM-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKLAZGZLXRYAO-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Nc2ncnc3cc(OC)c(OC)cc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGIXLKTYDBWLP-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)O)[nH]c2c([N+](=O)[O-])cc(CC(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIRWRUDUCYTFJ-UHFFFAOYSA-N", "SMILES:CCc1cc([N+](=O)[O-])c2[nH]c(C(=O)O)c(CCC(=O)O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3287951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWPDZGXISHWDP-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(Cl)c4)o3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSEADEUPRWQKIW-UHFFFAOYSA-N", "SMILES:CCc1cc(F)c(N)c2nc(-c3ccc(P(=O)(O)O)o3)n(CC(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL482735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNRCWALNVIZCTJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWOOHDHSIRZASU-UHFFFAOYSA-N", "SMILES:CSc1nc(N)c2nc(-c3ccc(P(=O)(O)O)o3)n(CC(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWGELSPIPTFHQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]c2c([N+](=O)[O-])cccc2c1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQFFQCIJAYKCJK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(Nc3ccc([N+](=O)[O-])cc3)ccc([N+](=O)[O-])c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSHIQEBEFHYDQY-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYZMBRHEJVBGD-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc([N+](=O)[O-])c2[nH]c(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYYMURZGLJDCT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(N)c2)c2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTUFXXWJMXPHW-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(S(=O)(=O)n2cccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWINZZVFAFVMJ-GDVDIDQFSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"name": "Fatty acid synthase", "xref": ["CHEMBL.TARGET:CHEMBL1795136"], "id": "UniProtKB:P12276", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBUXWNKBBLBNJM-FZYVVHAHSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5269517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIRUGIMQBBXNMQ-WKJPABOFSA-N", "SMILES:CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZFUJLNUFOANT-HXXRYREZSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBOHGQTFPCPBD-WIGFTALISA-N", "SMILES:CCCCCCCCCCCCCCCCCCC/C=C/C(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEVDXJVTCUZBN-BIDRLYAYSA-N", "SMILES:CCCCCCCCCCCCCCCCCOC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNKBFXKJJELIH-DYXRGMLLSA-N", "SMILES:CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAWTZCMRPAPTIA-QJUVDKAYSA-N", "SMILES:CCCCCCCCCCCCCCCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNBAIHHXGHLDGN-IFOJLSRYSA-N", "SMILES:CCCCCCCCCCCCCCCc1ccc(O[C@@H]2O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLNOFWPLTFNJPW-CMAVNLJPSA-N", "SMILES:C/C=C/C/C(C)=C\\[C@H]1C/C=C/C=C/C[C@H](C)/C=C(\\C)[C@@H](OC)C/C=C/[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]2O)CC(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5268892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHISILMGRURNG-KIUKYKQOSA-N", "SMILES:C/C=C/C/C(C)=C\\[C@H]1C[C@H]2C=C[C@H](C[C@H](C)/C=C(\\C)[C@@H](OC)C/C=C/[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)CC(=O)O1)OO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5266608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVYLNHVEAOOEGI-IEILSEDFSA-N", "SMILES:OC[C@@H]1[C@H](O)[C@@H](O)[C@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLXDZHLCUBLIX-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cc2nnc3ncc(-c4ccccc4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQKJQPOOQEANS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFEBBWKMCIDBBT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc3ncc(S(=O)(=O)n4ccc5cnccc54)n3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1509676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOWFRUBMSHYORP-BOPFTXTBSA-N", "SMILES:COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFICPIMSFBOJJ-WQRHYEAKSA-N", "SMILES:Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)C2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZJMJVXBWPYMAT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(Cl)nn45)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPVTEKDVMOBIP-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)C4(Cl)CCCN(c5ccc(F)cc5)C4=O)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COLIQJPMIHFWGK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccnc3[nH]c(-c4ccsc4)nc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZANFAMUEZXROY-CAPNVHDISA-N", "SMILES:NC1CCC(n2c(=O)n(Cc3ccc(Cl)c(Cl)c3)c3nc(Oc4ccc(C(=O)N5CCCCC5)cc4)c4cccnc4c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTXMTFGBUVBLL-CQSZACIVSA-N", "SMILES:CCCCC[C@@H](NC(=O)c1cc2ccc(O)c(O)c2oc1=O)C(=O)Nc1c(O)c2ccc(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZVEUDKERINQO-FQEVSTJZSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(C[C@@H]3CN(c4ncc(OCC5CCNCC5)cn4)CCO3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLVBOUURHAHBG-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cl)c(Sc2n[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTXWRHUAVPPDJQ-UHFFFAOYSA-N", "SMILES:c1cnc2ccc(Cn3nnc4ncc(-c5ccc6[nH]c7c(c6c5)CNCC7)nc43)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIEIFYOHXRXJEZ-GUAVBDGJSA-N", "SMILES:OC1CCC(n2cc(-c3ncc4ncn(Cc5ccc6ncccc6c5)c4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJQFWXRUJUNRHW-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cn3cccc(COc4nnc5ccc(Cl)nn45)c3n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFDSVDAZGNCKW-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4cn(-c5ccccc5C(F)(F)F)c5ccccc5c4=O)cc3F)ccnc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFQGEBJNFKRJB-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4nc5c(C)ccc(C)c5s4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJNPGLVPSBMGJK-QLQYKETESA-N", "SMILES:COc1cc2c(Oc3ccc(/C=N/NC(=O)Nc4ccccc4F)cc3F)ccnc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZALHFJZTXOFTAI-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZZYUNCECGAJY-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3cccc(C(=O)Nc4ccc(F)cc4)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTENAEAVXCVKTK-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNSENPZHNINLC-ZUZMZGHOSA-N", "SMILES:O=C(CSc1nc(=O)c(/C=C/c2ccco2)n[nH]1)N/N=C/c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKWXUQEWNWOMA-FNVBVLSVSA-N", "SMILES:CC(C)=C1C/C=C(\\C)CC/C=C(\\C)CC1OS(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGBZPXHPHENGG-FNVBVLSVSA-N", "SMILES:CC(C)=C1C/C=C(\\C)CC/C=C(\\C)CC1OC(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXUXBCEFRDYGI-QRKTZRNBSA-N", "SMILES:C/C=C(/C=O)[C@@H](COC)CC(=O)OCCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCCVAFAESJPGA-IQVIPIPHSA-N", "SMILES:CO[C@@H]1[C@H](N(C)c2ncc(-c3ccccc3)o2)C[C@H]2C[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJJLTADMMYRIP-UZGXRSSZSA-N", "SMILES:CO[C@@H]1[C@H](N(C)c2ncc(-c3c[nH]c4ccccc34)o2)C[C@H]2C[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBOFOYNPCHKQQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2n[nH]c(=S)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAQVDQQUMVQDBX-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVOQWMACBDQDK-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2noc(-c3cn(CCN4CCCC4)c4ccccc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL321678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTWCHZXMSCEQA-FQEVSTJZSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1ccc(Sc2c(C)ccc3nc(N)nc(O)c23)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTWCHZXMSCEQA-HXUWFJFHSA-N", "SMILES:COC(=O)[C@H](NC(=O)c1ccc(Sc2c(C)ccc3nc(N)[nH]c(=O)c23)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL111859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVOJHRBADVNNGG-IBGZPJMESA-N", "SMILES:Cc1ccc2nc(N)nc(O)c2c1Sc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWFSHECOCHXHLH-FQEVSTJZSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1ccc(Sc2c(C)ccc3nc(N)nc(O)c23)cc1)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWUUVQNINUQAJE-IBGZPJMESA-N", "SMILES:Cc1ccc2nc(N)nc(O)c2c1Sc1ccc(C(=O)N[C@H](C(=O)O)c2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL320036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUVHWNZIDMQISR-NRFANRHFSA-N", "SMILES:COC(=O)c1cccc([C@H](NC(=O)c2ccc(Sc3c(C)ccc4nc(N)nc(O)c34)cc2)C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL264198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIFFWSDYGJJIDU-IBGZPJMESA-N", "SMILES:Cc1ccc2nc(N)nc(O)c2c1Sc1ccc(C(=O)N[C@H](C(=O)O)c2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTLRNICONIUQW-OAHLLOKOSA-N", "SMILES:Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRUGTSMHKUHJN-LJQANCHMSA-N", "SMILES:Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKOGCWOLJIPJU-SFHVURJKSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1ccc(Sc2c(C)ccc3nc(N)[nH]c(=O)c23)s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZPCOSGVJNHMW-FQEVSTJZSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Sc2c(C)ccc3nc(N)[nH]c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISFXJRQKYLROK-IBGZPJMESA-N", "SMILES:Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITZPKRBIJKKSJ-FQEVSTJZSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(Sc2c(C)ccc3nc(N)[nH]c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPVVTFPKPDAFX-SFHVURJKSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Sc2c(C)ccc3nc(N)[nH]c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPLFCKMJIWXSGH-FQEVSTJZSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)c1ccc(Sc2c(C)ccc3nc(N)[nH]c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVPWSDKUBDALN-QFIPXVFZSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Sc2c(C)ccc3nc(N)[nH]c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKYVWSPQKYIRQI-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)c2ccc(Sc3c(C)ccc4nc(N)[nH]c(=O)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTNDZBOBDVEPC-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQGLJCINJJNOC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(NCCCOc2cccc(CN3CCCCC3)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL302102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXJNTQZCWEHKS-UHFFFAOYSA-N", "SMILES:CCCCCN(C(=O)c1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(=O)c2c1"]}
{"name": "Angiotensinogen", "xref": ["CHEMBL.TARGET:CHEMBL5291508"], "id": "UniProtKB:P01015", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJYSQWPRUSJET-UHFFFAOYSA-N", "SMILES:CCCc1nc2ccc(N(Cc3ccccc3)C(=O)OC(C)(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL276853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALZKZYQRFDKNDI-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N(CC=C(C)C)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDDEEYXFQMTKC-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL35638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRRAMNPXQVYMU-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccncc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLFJVEHAPQRFDF-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N(Cc3ccccc3Cl)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEWXOPDQNUMGCM-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL35324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCCXMCOHAPWJOK-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(N(Cc3ccccc3Cl)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBAKKNMVBYNSI-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL289472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPHUUTUDFDLBT-UHFFFAOYSA-N", "SMILES:CCc1nc2ccc(N(Cc3ccccc3)C(=O)c3cccs3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEGHUOJTHEZOS-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2ccc(N(Cc3ccccc3)C(=O)c3cccs3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYYAWUQQKRNUEW-UHFFFAOYSA-N", "SMILES:CCCC1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZELAPLYHMJGGX-UHFFFAOYSA-N", "SMILES:CCCCC1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOKNDQISYIJPD-UHFFFAOYSA-N", "SMILES:CCC1Nc2ccc(C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFWJCWCZUQORCO-UHFFFAOYSA-N", "SMILES:CCC1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIKKMLXONNITJY-UHFFFAOYSA-N", "SMILES:CCCCC(CCCC)C1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCJVQAIEWHNOOB-UHFFFAOYSA-N", "SMILES:CCC1Nc2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDPXIKIADMXCF-UHFFFAOYSA-N", "SMILES:CCCC1Nc2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMNNIIFIXKFSF-UHFFFAOYSA-N", "SMILES:CCCCC1Nc2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNGNNPKRUCYMV-UHFFFAOYSA-N", "SMILES:CCCC1N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)c2ccccc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZTVLPVSPYBHQ-UHFFFAOYSA-N", "SMILES:CCCCC1N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)c2ccccc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLNJNMOANMIEJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2ccc(C(C)O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEDKMLMAFXQWGA-UHFFFAOYSA-N", "SMILES:CCCCc1nc2ccc(C(C)(C)O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWEPYZHEFBWAPC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2ccc(C(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPXDQDRMMOLQQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2ccc(C(CC)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275875", "category": ["biolink:ChemicalEntity"], "name": "CL-329167", "xref": ["InChIKey:XZCUIMYYMKTCBA-UHFFFAOYSA-N", "SMILES:CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL297425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJXQODSDCJPHM-WFCMEMOQSA-N", "SMILES:CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL295174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJXQODSDCJPHM-YDVZFRQSSA-N", "SMILES:CCCCc1nc2ccc([C@@]3(C)C[C@@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUMILUYDCVBAIG-UHFFFAOYSA-N", "SMILES:CCCCc1nc2ccc(C3CC(c4ccc(C)cc4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNRKKEZEFZGIAQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2ccc(C3CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSYNNHTQNELRN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)C1CCN(CCn2cnc3c(c2=O)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAIPJWQNISLRBQ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(c(=O)n1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNNQYJBMGYCVSI-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1SCC(=O)N1NCC(=O)Cc1nc2ccccc2c(=O)n1-c1c(C)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEILHFLXSQZBDT-LSTHTHJFSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGBPBHGWCLWDSK-VOQZNFBZSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL288285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIYTUZZUSXSMR-UIAACRFSSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL290675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHQLKMURGRQDRK-VOQZNFBZSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVYTXIGZVJMDH-UIAACRFSSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYNRFPIZWFFRC-TYCQWZJGSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOKSWYLNZZRQPF-MDASCCDHSA-N", "SMILES:CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5291126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTMDLOYQQVPTF-YPAWHYETSA-N", "SMILES:CC(C)[C@@H]1[C@@H]2CCN(Cc3ccccc3)[C@@H]1Cc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPFNZUEASKUTO-HLAWJBBLSA-N", "SMILES:CC[C@@H]1[C@@H]2CCN(Cc3ccccc3)[C@@H]1Cc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOUPZSHFYULSRO-MOXGXCLJSA-N", "SMILES:C[C@@H]1[C@@H]2CCN(Cc3ccccc3)[C@@H]1Cc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL101510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQCVMYAEFTEFN-OAUYIBNBSA-N", "SMILES:C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3040082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMPAQXGZYLEST-GQWLDOHISA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRIKARZSLGBEC-PUCZYUMASA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVEGIYPSJMZQHS-PUCZYUMASA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZLNUMNWMAXIZ-USIGFJHISA-N", "SMILES:COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZLNUMNWMAXIZ-BNERBJGHSA-N", "SMILES:COC(=O)C1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZLNUMNWMAXIZ-SVLVZLANSA-N", "SMILES:COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKRLXLHQCKGKE-NZTYDEPOSA-N", "SMILES:COC(=O)[C@]1(c2ccc(Cl)cc2)C[C@@H]1CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULSSQQQKPYPOR-JRGCBEDISA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVDVLXZLLJKLW-YFXJRYMSSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCN(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZLNUMNWMAXIZ-RVYZHTKBSA-N", "SMILES:COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHBWFWVQWMKEMZ-MDASCCDHSA-N", "SMILES:CC(C)=CCN1CC[C@@]2(C)c3cc(F)ccc3C[C@H]1[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYOXWWPQFYBCZ-MQNAVGNWSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(N(C)C)cc3[C@]1(C)CCN2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHASLWXLZLGRMJ-GQWLDOHISA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(N)cc3[C@]1(C)CCN2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAAXWTHVNTVMCJ-TYCQWZJGSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANYMEULZKDXDHA-FRIZHTMISA-N", "SMILES:CC(C)=CCN1CC[C@@]2(C)c3c(ccc(O)c3Cl)C[C@H]1[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUQADGXCVUBSK-FRIZHTMISA-N", "SMILES:CC(C)=CCN1CC[C@@]2(C)c3c(ccc(O)c3Br)C[C@H]1[C@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNODZGKKBDKGDM-XWRIVVANSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3cc(I)c(O)cc3[C@]1(C)CCN2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHEMVNOXXPKYIS-DAESXHAQSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)c(Br)c3[C@]1(C)CCN2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSDXTXZRFYDVPE-DAESXHAQSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)c(Cl)c3[C@]1(C)CCN2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYYZPACPYZMFH-KYNGSXCRSA-N", "SMILES:C=CCCCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5316208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAYXDSGSHFBWRT-BEVDRBHNSA-N", "SMILES:C=CCCCCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQCVMYAEFTEFN-VUCTXSBTSA-N", "SMILES:C=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4214248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSCRZQGMXCHFS-VHSSKADRSA-N", "SMILES:C=CCCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQWIHMDQBNBBE-WMZHIEFXSA-N", "SMILES:CN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSYHQGDRZFDPGP-SQJMNOBHSA-N", "SMILES:C=CCN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFHPNLALJKIFQH-OYHNWAKOSA-N", "SMILES:CN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWGXUTJHVFZQEF-IGYKWVTLSA-N", "SMILES:C/C=C/CN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPMFKLUVLCAJPU-WNCULLNHSA-N", "SMILES:CC(C)=CCN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWVHISUPWZMIU-BKMJKUGQSA-N", "SMILES:CCOC(=O)CCN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPRQKOMHAQHTFJ-IRWQIABSSA-N", "SMILES:CO[C@@H](C)CN1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039733", "category": ["biolink:ChemicalEntity"], "name": "CROBENETINE", "xref": ["InChIKey:VCCBCXVFGHTDQN-UODBTFMRSA-N", "SMILES:C[C@@H](CN1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C)OCc1ccccc1"], "synonym": ["Crobenetine", "Crobenetina", "Crobenetine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHVHQLBLXMJOK-UKPISFLSSA-N", "SMILES:Cc1cnccc1-c1nc(-c2ccccc2)c2c(n1)[C@]1(C)C=C(C#N)C(=O)[C@H](C)[C@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSXQJFXZAZVDES-KDGOIOHLSA-N", "SMILES:COC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)[C@@](C)(O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBVQQBJKBKFMI-KRWDZBQOSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNc2nc3c(C)nc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2137199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHKWAZUPPBMLL-UHFFFAOYSA-N", "SMILES:OC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)c(F)c1)(C(F)(F)F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUYMIRYNRKXKOR-HMHJJOSWSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOYRNTUBIHWFHV-QUGAMOGWSA-N", "SMILES:CC1(C)[C@@H]2CC[C@]1(c1ccnc(N3CCCCC3)n1)c1nnc(-c3c(F)cccc3F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REQJRQPAKIVYOD-ASSNKEHSSA-N", "SMILES:CC1(C)[C@@H]2CC[C@]1(c1ccncn1)c1nnc(-c3c(F)cccc3F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXJZXXYHNBHNX-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)[nH]c(=O)n3CC2CCOCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFUUUUPFHLNHI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4noc(-c5ccc(F)cc5)n4)CC3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGUUFGJXZFLEFM-INIZCTEOSA-N", "SMILES:Cc1ncc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLYLQZUIGFTTCQ-GSDGAUQMSA-N", "SMILES:Cc1cnccc1-c1nc(-c2ccccc2)c2c(n1)[C@]1(C)C=C(C#N)C(=O)[C@H](C)[C@H]1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXORJKASDUMNTF-VSUWZMIJSA-N", "SMILES:C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHVUHELYHSGMGL-OOWIMERYSA-N", "SMILES:CC1(C)C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBUVAIVPVNVQL-SHAZEOPZSA-N", "SMILES:CCC[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWVFSOUNZLQMI-SRYBNDGDSA-N", "SMILES:C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSBOECCXJARGLY-IAUHIMIASA-N", "SMILES:CC[C@H]1c2ncc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAZRVFPMAFIHED-UHFFFAOYSA-N", "SMILES:CCn1c(C(C)(C)Oc2ccc(F)cc2F)nc2cc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBDKMBVCCMOCE-HNNXBMFYSA-N", "SMILES:C[C@H]1CN(Cc2cncc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)c2)CCN1C(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZNIPTPCNOREKS-UHFFFAOYSA-N", "SMILES:Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSFGAYNWKJICB-UHFFFAOYSA-N", "SMILES:COc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)C3CCCC3)CC1)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMFYVOUDGRBLG-VFHHBZAHSA-N", "SMILES:COc1ccc2c(n1)CCN(C(=O)[C@H]1C[C@@H](CC(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFVOSXMQCIFOSO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMOEMKHCRZWMT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3558130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBGLSPZTAMCCO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGCUSAQKOXNPX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3cccnc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIURRJOJDQOMFC-FIRIVFDPSA-N", "SMILES:Cc1ccc([C@H](NC(=O)Cc2ccc3oc([C@@H](O)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKLHURFZDIRSS-LJQANCHMSA-N", "SMILES:NC(=O)Cc1ccc(CNc2ncnc(N3CCOC[C@@H]3c3ccc(C(F)(F)F)cc3)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZOYLZUQKUYSY-UHFFFAOYSA-N", "SMILES:CCOC(=O)CC1CN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYPURVLMVKTZAS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1N1CCOCC1)CC(Cc1cccc(C(F)(F)F)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLONXDHSMBQTJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C4COC4)CC3)c1Cl)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMFUYPDEWUXDIT-HNNXBMFYSA-N", "SMILES:C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC(C)(C)C)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVSWHSCHDKSPHW-NDEPHWFRSA-N", "SMILES:COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCUYLEVIRQOTLK-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cccc(CO)c2)cc1-c1nc2cc(N3CCNCC3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKIAHRYNFZOYHM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2nc(-c3ccc(F)c(C)n3)nc3[nH]cnc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3704651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIQVUPWBHUGPKD-UHFFFAOYSA-N", "SMILES:CCc1cnn(-c2cccc(C)n2)c1-c1cc2cnccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRIMDMJFLDBRG-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2cc(-c3ccc4ncnn4c3)nc2CNc2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZVBONMVWLTLNT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLYCVISSBIUQQ-AUTRQRHGSA-N", "SMILES:CN[C@@H](CO)C(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITNOQXAZILCRX-JBJVTEQASA-N", "SMILES:CCC(C)c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAHLAHDZYOQDH-FOKLQQMPSA-N", "SMILES:COc1cc(/C=N/c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBRAYHGZVRBRCQ-WGOQTCKBSA-N", "SMILES:C/C(=N\\NC(=O)c1ccncc1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3341985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBGIOCKNVNDRU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3662235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTOFVXVDNHJZIU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQHUEIYIAWMIZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKNVQGSRABGGX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPGCBJZNLEVNY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTGARHIVFGTKX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKKFBQBPCTMAH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWAHJURQAOTPRQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3654180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEFVIYQUYHNRDX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(F)c(OCC23CC4CC(CC(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVNWBCMXRNPKNQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPRCKGYRITYCI-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBAPIBISLGRMT-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBWMBWFXSHHTE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(F)(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZJPBYOXZWCBAN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSLIEPIIAJYDTK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRHQEDATMPAJU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3662236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSUDZQUQOMVKP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXCVJBLHIKCNRG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQJYQECMAVLMJI-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3658006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXRXQBRXBNTWPW-UHFFFAOYSA-N", "SMILES:COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3662077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCXIMYTIQZZHZ-UHFFFAOYSA-N", "SMILES:CC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOEKQWCMPILXAL-UHFFFAOYSA-N", "SMILES:CCC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3662218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGPBRVGPHOIIO-UHFFFAOYSA-N", "SMILES:CC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCC(C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3662190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFDXIUXAFNREKM-UHFFFAOYSA-N", "SMILES:CC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBBOBHHQEXVYSN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCOCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3657822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUZZNIIDVTJII-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(O)(C4)C2)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAFGFZPKKDOIBX-UZXRVZLOSA-N", "SMILES:CNC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIDSEXPFIMKDMF-LOLKONATSA-N", "SMILES:O=C(O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRLHFAFMLOBTTI-AYTRPCBJSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NC(=O)c4ccc(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)Nc7cc(Cl)ccc76)[C@H]5c5cccc(Cl)c5F)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWBWYXZZQKIME-JAAKZGIOSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCOCCOCCOCCNC(=O)c2ccc(NC(=O)[C@@H]3NC4(CCCCC4)[C@@]4(C(=O)Nc5cc(Cl)ccc54)[C@H]3c3cccc(Cl)c3F)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMQBLMPGMFXLD-PDUNVWSESA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCN(CCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGCLFXBHOXXEN-JPTLTNPLSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCN(CCCCCOc2cc(-c3scnc3C)ccc2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFGNOYJAWUKCEW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHJHMRSRAVXNPQ-MDAIXWLXSA-N", "SMILES:CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)=O)C(C)(C)C)c1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFJKORGWVCZBG-HXKBJWFLSA-N", "SMILES:CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](c1cc(C)no1)C(C)C)c1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPPMFQIIPBSRV-MDAIXWLXSA-N", "SMILES:CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOUIGUFBKWBLO-HXKBJWFLSA-N", "SMILES:CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(C#N)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPPMFQIIPBSRV-IUBSTNSRSA-N", "SMILES:CNC(=O)C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPPMFQIIPBSRV-XBJMDHIQSA-N", "SMILES:CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAHUHEDUDMTTTF-COWZOJLOSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGVEMFBQJUWLU-RXFAPWBBSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](CC(=O)N2CCC(N3CCC(C#Cc4ccc(C(=O)N[C@H]5C(C)(C)[C@H](Oc6ccc(C#N)c(Cl)c6)C5(C)C)cc4)CC3)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJKDQGPBAWNRY-IZZNHLLZSA-N", "SMILES:CCC(=O)N[C@@H](Cc1nc2ccc(C(C)C)cc2s1)C(=O)N[C@H](CNC(=O)CCN1CCOCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJZUAAKUJAXXHQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Sc2nnnn2CCN(C)C)n2nc(SCc3ccc(Cl)cc3)nc2n1.Cl"]}
{"name": "Cullin-5", "xref": ["CHEMBL.TARGET:CHEMBL5291609"], "id": "UniProtKB:Q93034", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cullin-4B", "xref": ["CHEMBL.TARGET:CHEMBL4523287"], "id": "UniProtKB:Q13620", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1495092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSSKNZHADPXJX-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(C2=NNC(=O)CC2C)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJRLIIKYCIXHN-UHFFFAOYSA-N", "SMILES:CC1CC(=O)NN=C1c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQZDTUCRKMTRW-GFCCVEGCSA-N", "SMILES:C[C@@H]1CC(=O)NN=C1c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJGGSLDXABLZLP-SNVBAGLBSA-N", "SMILES:C[C@@H]1CC(=O)NN=C1c1ccc(N2CCOCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVBGHYDBVXZIJJ-ZCFIWIBFSA-N", "SMILES:C[C@@H]1CC(=O)NN=C1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL340785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZXNMWZXLDEKG-MRVPVSSYSA-N", "SMILES:CC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCQOMJDWMEKJA-SSDOTTSWSA-N", "SMILES:CC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJGGSLDXABLZLP-UHFFFAOYSA-N", "SMILES:CC1CC(=O)NN=C1c1ccc(N2CCOCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSNQHJORPIKFIV-UHFFFAOYSA-N", "SMILES:COc1cc2oc(-c3cccc(C(=O)Nc4ccc(C)cc4)c3)cc(=O)c2c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585580", "category": ["biolink:ChemicalEntity"], "name": "LOBEGLITAZONE", "xref": ["InChIKey:CHHXEZSCHQVSRE-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1"], "synonym": ["Lobeglitazone", "Lobeglitazone", "Lobeglitazona", "Lobeglitazone"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1178786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNHZXMPLVSJQFK-UHFFFAOYSA-O", "SMILES:Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5316203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTQBXNHDCUEHJF-RZGQDKCQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJGAVMSEJIPWOD-NWEFBYLHSA-N", "SMILES:CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYHZZYFEVAVEO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2N=C(c3ccccc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMZGBSGROPXEP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2N=C(c3ccccc3)CC2c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGAVSNWJWUCDID-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2N=C(c3ccccc3)CC2c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZKBTLUZRLLDBE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2N=C(c3ccc(F)cc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRUWIFGSWLNHJQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2N=C(c3ccc(F)cc3)CC2c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMKJANPKBLUMH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJOOZKJVFDOUKL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(C(=O)c3ccc(S(N)(=O)=O)cc3)C(c3ccc(C)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXUBTGWLLDWPZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2N=C(c3ccccc3)CC2c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERVQWRXKPSYPX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2N=C(c3ccccc3)CC2c2ccc3c(c2)COO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNKQKPVIPMLRP-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CC(c2ccccc2)=NN1C(=O)c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUIBLZJPGCPBGQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZZFLHUQWXMPB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)c3ccc(S(N)(=O)=O)cc3)C(c3ccc(OC)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLNFUSMKWRINFJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)c3ccc(S(N)(=O)=O)cc3)C(c3ccccc3)C2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDKNTRRZFBXJSS-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(OC)cc3OC)=NN2C(=O)c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBDFMYAYBJDFQN-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)c3ccc(S(N)(=O)=O)cc3)C(c3ccc(OC)c(OC)c3)C2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERSFXRIHOJRCN-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)c3ccc(S(N)(=O)=O)cc3)C(c3cc(OC)c(OC)c(OC)c3)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFHAXRHPXHNNJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc([N+](=O)[O-])cc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGPTWMVPELUJPQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMKPEBHRMDILAQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOEZKAJIVFMPBT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVTSTKMBRXFWAP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(Cl)cc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1565276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPCVEVPKHRJNY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDHFURRXQERLB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGQSTFSRGHZBN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBPRXAVRJYEHNX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQYGYMAKLUMDI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc([N+](=O)[O-])cc3)CC2c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYJVKDPTQSDYHM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(Cl)cc3)CC2c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RACKKKXGNSNHLR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)CC2c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDCGWUZLARAGV-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccs3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMZXZXNIJFAKD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKLLJYXWCENKD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccs3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSZZGQBFIICSX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLUJKHVBRBQDOG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(OC)c(OC)c3OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXICOBZYKSHTPG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cc(OC)c(OC)cc3OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMZPZBBZXHJDK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(OC)cc3OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOAIPAGIEUZYCR-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cc(OC)ccc3OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQIGMOBTCEUOO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(OC)c(OC)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJQNAWWGBBKBHT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cc(OC)c(OC)c(OC)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXLWPRMAXINOTF-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(C3CC(c4sccc4Cl)=NN3)c(Cl)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICEPXSIJDOVNCF-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(C3CC(c4cc(Cl)sc4Cl)=NN3)c(Cl)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2238280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIQISABDIQDKBY-DHZHZOJOSA-N", "SMILES:Cc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2238282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVGPABOTQMSSV-RMKNXTFCSA-N", "SMILES:O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1sccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQATROCTVAVJI-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZEYYADZUXIXIV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQLMWVVONGLRQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCROCRRDDBBKI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZDDQBSIXWFKOA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPFXTCYTPZZAFY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANGWCKAMHCPHW-UHFFFAOYSA-N", "SMILES:CNC(=S)N1N=C(c2ccccc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHRXYONVIDXPEC-UHFFFAOYSA-N", "SMILES:CNC(=S)N1N=C(c2ccc(Cl)cc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYJJZHKRFNUDPN-UHFFFAOYSA-N", "SMILES:CNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUIMMEPLJSVERB-UHFFFAOYSA-N", "SMILES:CNC(=S)N1N=C(c2ccc(OC)cc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDIUPYCNUIVEO-UHFFFAOYSA-N", "SMILES:CCNC(=S)N1N=C(c2ccccc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSVAOLIDNHENN-UHFFFAOYSA-N", "SMILES:CCNC(=S)N1N=C(c2ccc(Cl)cc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHPVHHKFRWNELW-UHFFFAOYSA-N", "SMILES:CCNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOBRDJHTHGVDCS-UHFFFAOYSA-N", "SMILES:CCNC(=S)N1N=C(c2ccc(OC)cc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYIKLJHPGXBAIK-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIKDKWGOBJKOIY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=S)Nc3ccccc3)C(c3ccc(F)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXXDXVDOHUAMFC-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2CC(c3ccc(Cl)cc3)=NN2C(=S)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENULRCWGHEQNX-UHFFFAOYSA-N", "SMILES:C=CCNC(=S)N1N=C(c2ccccc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQMYLPVTAOTEIG-UHFFFAOYSA-N", "SMILES:C=CCNC(=S)N1N=C(c2ccc(Cl)cc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOANEDKZWYYSH-UHFFFAOYSA-N", "SMILES:C=CCNC(=S)N1N=C(c2ccc(OC)cc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGWDAWTZAYXPLB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=NN(C(=S)Nc3ccccc3)C(c3ccc(F)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGOSUXYIIVCGL-UHFFFAOYSA-N", "SMILES:C=CCNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKHFWTSLPZTZFU-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)C(=O)C(O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCGGHRFDPIUPFF-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)C(=O)C(O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWIJHCASPULZFI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)CCc3ccc(O)cc3)ccc21"]}
{"name": "Autoinducer 1 sensor kinase/phosphatase LuxN", "xref": ["CHEMBL.TARGET:CHEMBL1795163"], "id": "UniProtKB:P0C5S6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:669"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIBHQRGCGJCTRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)C(NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRWRVLMMBOUSI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)cc1)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXWQELSLNCUNV-UHFFFAOYSA-N", "SMILES:CC(C)(c1ccccc1)c1ccc(OCC(=O)NC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFJWDBUUBMUAV-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)CSc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2228452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSNZFFBDIMUILS-ZHACJKMWSA-N", "SMILES:CCCCCCCCC/C=C/C=O"], "chembl_natural_product": true}
{"name": "HTH-type transcriptional regulator LuxR", "xref": ["CHEMBL.TARGET:CHEMBL5291573"], "id": "UniProtKB:P21308", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:669"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANBRUWVURLWGY-MDZDMXLPSA-N", "SMILES:CCCCCCCC/C=C/C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL507518", "category": ["biolink:ChemicalEntity"], "name": "TRANS-2-DECENAL", "xref": ["InChIKey:MMFCJPPRCYDLLZ-CMDGGOBGSA-N", "SMILES:CCCCCCC/C=C/C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVBXEMGDVWVTGY-VOTSOKGWSA-N", "SMILES:CCCCC/C=C/C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4062155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFOBLITZWHNNC-VOTSOKGWSA-N", "SMILES:CCCC/C=C/C(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5281370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDKLIZDXVUCLHQ-BQYQJAHWSA-N", "SMILES:CCCCC/C=C/C(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL206566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRPDANVNRUIUAB-CMDGGOBGSA-N", "SMILES:CCCCCC/C=C/C(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL450072", "category": ["biolink:ChemicalEntity"], "name": "2-NONENAL", "xref": ["InChIKey:BSAIUMLZVGUGKX-BQYQJAHWSA-N", "SMILES:CCCCCC/C=C/C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL454759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFKTBCGKNOHPJ-AATRIKPKSA-N", "SMILES:CCCC/C=C/C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3184812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNPUELCBZVMDA-CMDGGOBGSA-N", "SMILES:CCCCCC/C=C/C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1995395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUNAKQXJLHODT-VAWYXSNFSA-N", "SMILES:CCCCCCCCCC/C=C/C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL256368", "category": ["biolink:ChemicalEntity"], "name": "PENTENAL", "xref": ["InChIKey:DTCCTIQRPGSLPT-ONEGZZNKSA-N", "SMILES:CC/C=C/C=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5280551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APEJMQOBVMLION-VOTSOKGWSA-N", "SMILES:NC(=O)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQJJDKSNFBCFC-BQYQJAHWSA-N", "SMILES:CS(=O)(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTHPXIFZYWZBHX-OWOJBTEDSA-N", "SMILES:O=C/C=C/c1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSASXPHJYWAVPG-OWOJBTEDSA-N", "SMILES:O=C/C=C/c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRIZSOUMJXQNGU-OWOJBTEDSA-N", "SMILES:O=C/C=C/c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMSMELHEXDVEDE-HWKANZROSA-N", "SMILES:O=C/C=C/c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWSTKVLFZRAPM-QYYRPYCUSA-N", "SMILES:[N-]=[N+]=N[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL338352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILDPUOKUEKVHIL-QYYRPYCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4473072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRWMWDLEUYLURJ-SHTZXODSSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLUYNGCRCAAOS-WKILWMFISA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKLCWVAIINPDB-WKILWMFISA-N", "SMILES:COc1ccc2cc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUVWEAKPYMXMQX-IYARVYRRSA-N", "SMILES:COc1ccc2cc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMYGECAVRRFIL-HDJSIYSDSA-N", "SMILES:COc1ccc2cc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTTTXDSDVEDKM-SHTZXODSSA-N", "SMILES:COc1ccc2c(c1)N=CN(C(=O)N[C@H]1CC[C@H](C(C)(C)O)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLWYMYJVFIEIT-JOCQHMNTSA-N", "SMILES:COc1ccc2nc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWKLMYQUMIELA-HDJSIYSDSA-N", "SMILES:COc1cnc2cc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLJUQJWAVHFQX-SHTZXODSSA-N", "SMILES:COc1cc2ncc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVVLBDSOAFSRA-SHTZXODSSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3cnccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAGIAVJYFUFCRT-SHTZXODSSA-N", "SMILES:COc1ccc2cc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEWVQMIXEMUPRL-HDJSIYSDSA-N", "SMILES:COc1ncc2cc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBOJDFGHCNHNOW-QAQDUYKDSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(N4CCC4)ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRTPRAFIIIRXDY-JCNLHEQBSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(N4CC(F)C4)ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUCSCBKQYAHAP-QAQDUYKDSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(C4CC4)ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIKNQXXNJQJXHC-QAQDUYKDSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(N4CCC4)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROWLOFVLOJIUBH-WBAXXEDZSA-N", "SMILES:C[C@H]1CCN1c1ccc2cc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKOTFOGNGVLSE-QAQDUYKDSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(C4CC4)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMUECUTVTXYNP-WKILWMFISA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(N4CCC4)ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPBSUTHPHZRROA-WKILWMFISA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(C4CC4)ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRQJBUGHSFQDU-XFHMXUHZSA-N", "SMILES:C[C@]1(O)C[C@@H](NC(=O)c2cnc3cc(N4CCC4)ncc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJANJJJUOPTTL-LBPRGKRZSA-N", "SMILES:O=C(N[C@H]1CCNC1=O)c1cnc2cc(N3CCC3)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDHWRWFBRUHPX-GWCFXTLKSA-N", "SMILES:C[C@H]1CCN1c1cc2ncc(C(=O)N[C@H]3CCNC3=O)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZQNZDQCLQQOJM-SHTZXODSSA-N", "SMILES:CC(C)(O)[C@H]1C[C@H](NC(=O)c2cnc3cc(C4CC4)ncc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTVTOUOBIGPBV-LBPRGKRZSA-N", "SMILES:O=C(N[C@H]1CCNC1=O)c1cnc2cc(C3CC3)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTMIRLYSNJNTGO-GPMSIDNRSA-N", "SMILES:O=C(N[C@H]1CC[C@H](N[C@H](CO)C(F)(F)F)CC1)c1cnc2cc(C3CC3)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKUZPLRRSSZIFY-IYARVYRRSA-N", "SMILES:O=C(N[C@H]1CC[C@H](N2CC(F)C2)CC1)c1cnc2cc(C3CC3)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWACIBVYYUDVDY-SHTZXODSSA-N", "SMILES:CC(C)(O)[C@H]1C[C@H](NC(=O)c2cnc3nc(C4CC4)ccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMQWGKJPSXGSJ-VHPWLNBFSA-N", "SMILES:CC(C)(O)[C@H]1CC2(C[C@H](NC(=O)c3cnc4nc(C5CC5)ccc4c3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMQWGKJPSXGSJ-LGBUFWOESA-N", "SMILES:CC(C)(O)C1CC2(CC(NC(=O)c3cnc4nc(C5CC5)ccc4c3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWFSJNIIHABGM-MXVIHJGJSA-N", "SMILES:CC(C)(O)[C@]12C[C@@](NC(=O)c3cnc4nc(C5CC5)ccc4c3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOJWLAQYIYEHC-ZWNDMSQQSA-N", "SMILES:CC(N[C@H]1CC[C@H](NC(=O)c2cnc3nc(C4CC4)ccc3c2)CC1)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYCWNJIHYOIHZ-LCMPSIMXSA-N", "SMILES:C[C@H]1CCN1c1nc2ncc(C(=O)N[C@H]3CC[C@](C)(O)CC3)cc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXOMAHVRFTKOQ-ZANVPECISA-N", "SMILES:C[C@H]1CCN1c1nc2ncc(C(=O)N[C@H]3CCNC3=O)cc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYZPVTJHBJPDMD-HDJSIYSDSA-N", "SMILES:CC(C)(O)[C@H]1C[C@H](NC(=O)c2cnc3nc(C4CC4)c(Cl)cc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZVLOBJGQIONX-QASKLWRZSA-N", "SMILES:C[C@]1(O)C[C@H](NC(=O)c2cnc3nc(C4CC4)c(Cl)cc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZVLOBJGQIONX-LAUQKZGBSA-N", "SMILES:C[C@]1(O)C[C@@H](NC(=O)c2cnc3nc(C4CC4)c(Cl)cc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSQHSIMHBOHOJE-LBPRGKRZSA-N", "SMILES:O=C(N[C@H]1CCNC1=O)c1cnc2nc(C3CC3)c(Cl)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKLMEOMMDQNEQ-ZTFGCOKTSA-N", "SMILES:C[C@@H]1CCN1c1cc2ncc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKLMEOMMDQNEQ-WBAXXEDZSA-N", "SMILES:C[C@H]1CCN1c1cc2ncc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPPRCJPNXIMGPZ-SHTZXODSSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(OCC(F)(F)F)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDADYUHMTCETQE-JCNLHEQBSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(N4CC(F)C4)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROWLOFVLOJIUBH-ZTFGCOKTSA-N", "SMILES:C[C@@H]1CCN1c1ccc2cc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOULUCUQPGBWEN-SHTZXODSSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(NCC(F)(F)F)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXKGMUUDMQMZBZ-SHTZXODSSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(NCC(F)F)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGVOAILZGHGLD-QAQDUYKDSA-N", "SMILES:CC(C)c1ccc2cc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQEKUKQGJVFDDA-IYARVYRRSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(C4CCC4)ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDCHHDUNSJQKLH-HDJSIYSDSA-N", "SMILES:COc1nc2ncc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIRLZTBCUBDTJU-WKILWMFISA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(N4CCC4)c(Cl)cc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RREFSIHJZPUKPM-JQFCIGGWSA-N", "SMILES:C[C@H]1CCN1c1nc2ncc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXONXMUEPKXGA-WKILWMFISA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3nc(C4CC4)c(Cl)cc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRUDJZIPYRCSH-MXVIHJGJSA-N", "SMILES:CC(C)(O)[C@]12C[C@@](NC(=O)c3cnc4cc(C5CC5)ncc4c3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOMONZPKDUAEKB-XFHMXUHZSA-N", "SMILES:C[C@]1(O)C[C@@H](NC(=O)c2cnc3cc(C4CC4)ncc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFNXMEXDSZNWMU-QAQDUYKDSA-N", "SMILES:O=C(N[C@H]1CC[C@H](N2CC(F)(F)C2)CC1)c1cnc2cc(C3CC3)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUCNXVBPTHTHRM-XFHMXUHZSA-N", "SMILES:C[C@]1(O)C[C@@H](NC(=O)c2cnc3nc(N4CCC4)ccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYCPVXELQLTJY-LBPRGKRZSA-N", "SMILES:O=C(N[C@H]1CCNC1=O)c1cnc2nc(N3CCC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSBSVAMPFUOHV-WJYNOGRTSA-N", "SMILES:C[C@]1(O)C[C@H](NC(=O)c2cnc3nc(C4CC4)ccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSBSVAMPFUOHV-XFHMXUHZSA-N", "SMILES:C[C@]1(O)C[C@@H](NC(=O)c2cnc3nc(C4CC4)ccc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOPHVMVVUKTFV-ZDUSSCGKSA-N", "SMILES:O=C(N[C@H]1CCNC1=O)c1cnc2nc(C3CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTZAXLIPIYHBDR-QAQDUYKDSA-N", "SMILES:O=C(N[C@H]1CC[C@H](N2CC(F)(F)C2)CC1)c1cnc2nc(C3CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXOFSDLWOGOQQ-CQDKDKBSSA-N", "SMILES:C[C@H]1CCN1c1nc2ncc(C(=O)N[C@H]3C[C@H](C(C)(C)O)C3)cc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMXNSFIYYUBDLJ-IMQJOWEQSA-N", "SMILES:C[C@H]1CCN1c1nc2ncc(C(=O)N[C@H]3C[C@](C)(O)C3)cc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMXNSFIYYUBDLJ-OGJWQKAUSA-N", "SMILES:C[C@H]1CCN1c1nc2ncc(C(=O)N[C@H]3C[C@@](C)(O)C3)cc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGLHCXISMKHLIK-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHMLBXBRCITHF-UHFFFAOYSA-N", "SMILES:CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRCMGFYUXAHGS-VAWYXSNFSA-N", "SMILES:CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUJSTFZOXOWOSI-UHFFFAOYSA-N", "SMILES:COc1cccc(NS(=O)(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMFILWCOJGTBKF-UHFFFAOYSA-N", "SMILES:CSc1cc(-c2ccc(Cl)cc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMROMMAINODMM-UHFFFAOYSA-N", "SMILES:COC(=O)c1sc(-c2ccccc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRYFBKKMLYRHO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2ccccc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPOBAHNECFWIP-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)c1sc(-c2ccccc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLADVADVPNPCQH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2ccccc2)nc1NC(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYVXCBKJPSCFC-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1sc(-c2ccccc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTQNUGGPEURDFS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2ccc(C)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1377190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTTLQUWXZGMKGX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2ccc(Cl)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWMCWWQUPRRBT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2cccc(Cl)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPLQXRZLRODTMM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2ccc(F)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJIJXHPIIHCJKS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2cccc(F)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQMAEQGABJIFH-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2sc(-c3cccc(F)c3)nc2O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCEWMKKEBKMJMD-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2sc(-c3cccc(F)c3)nc2O)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHDSFHQIDGRHP-UHFFFAOYSA-N", "SMILES:Cn1nnc(-c2sc(-c3cccc(F)c3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIHYHWGSOJUFQT-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3ccc(F)cc3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSYWTIBIDOMKJS-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3ccc(Cl)cc3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIZZYHXYCUJSR-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3ccccc3C)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSWXNGJWNFCMC-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3cccc(C)c3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMWAGGMQECABRZ-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3ccccc3O)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMUGUCZMYTDNE-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3cccc(O)c3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNFAIJSQWMIWJD-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3ccc(O)cc3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNXFWWKPPLQSHD-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3ccccc3OC)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZBVYNLUSAAKJ-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3cccc(OC)c3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWGDCDZCKZGEO-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3cccc(N)c3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRYJFNXETUCAMU-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3cccc(NC)c3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSUBYTGYGYRQGU-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3cccc(N(C)C)c3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYEGAWKZUMZWSD-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3cccnc3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRXOSBNSPBLKU-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3cnccn3)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKKPWLVJVPNHB-UHFFFAOYSA-N", "SMILES:CCn1nnc(-c2sc(-c3c(Cl)cccc3Cl)nc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFBJDLDCZCTNCM-UHFFFAOYSA-N", "SMILES:CC(=O)c1sc(-c2cccc(F)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANUOYWLYYBOAMH-UHFFFAOYSA-N", "SMILES:CCC(=O)c1sc(-c2cccc(F)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSBIPFKLSRWESZ-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1sc(-c2cccc(F)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOMSJAFXSIVFK-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)c1sc(-c2cccc(F)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKSKGRCROTVDLH-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)c1sc(-c2cccc(F)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNWOSUNGXMCOFL-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)c1sc(-c2cccc(F)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVVANQTHINCKK-UHFFFAOYSA-N", "SMILES:CCON(C)C(=O)c1sc(-c2cccc(F)c2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVRUKRLHASLAAP-UHFFFAOYSA-N", "SMILES:O=C(c1sc(-c2cccc(F)c2)nc1O)N1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBRIJMBZONLPQR-UHFFFAOYSA-N", "SMILES:O=C(c1sc(-c2cccc(F)c2)nc1O)N1CCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZYWEUPJFWQEEM-UHFFFAOYSA-N", "SMILES:O=C(c1sc(-c2cccc(F)c2)nc1O)N1CCCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEVOKCFEKXPSNJ-UHFFFAOYSA-N", "SMILES:O=C(c1sc(-c2cccc(F)c2)nc1O)N1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBZTOVKRDHIGM-UHFFFAOYSA-N", "SMILES:O=C(c1sc(-c2cccc(F)c2)nc1O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFNWXHVCAXKDMI-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)c1sc(-c2ccccc2O)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSPSQLSSTJNOJI-UHFFFAOYSA-N", "SMILES:CCON(C)C(=O)c1sc(-c2ccccc2O)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUQCBLRBYEPFS-UHFFFAOYSA-N", "SMILES:O=C(c1sc(-c2ccccc2O)nc1O)N1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJJMCUHUGXFST-UHFFFAOYSA-N", "SMILES:O=C(c1sc(-c2ccccc2O)nc1O)N1CCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEOFJUZOPWQCBV-UHAWNKIKSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](CCc2ccccc2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMFKHPPTSPGLGV-WEDITUDFSA-N", "SMILES:Cc1ccccc1C#C[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLJPDFUCJLGSG-WEDITUDFSA-N", "SMILES:Cc1cccc(C#C[C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYSPJMVJCQFBP-NLMZKZONSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2cccc(NS(=O)(=O)c3ccccc3)c2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKDPUSRNCHICC-UHAWNKIKSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2cccc(N)c2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHPBBMUKYFKRRT-UHAWNKIKSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2ccccc2N)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPXXDNWSIWASLB-WEDITUDFSA-N", "SMILES:Cc1ccc(C#C[C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNFNBAEQNWITA-UHAWNKIKSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2ccc(N)cc2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZDEJMCNWUFHF-YGJJZIGLSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2ccccc2C(=O)O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXDTZQLBZPHJLH-YGJJZIGLSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2cccc(C(=O)O)c2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYGCOXNDNWMTSE-YGJJZIGLSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2ccc(C(=O)O)cc2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWFKSXXWFNZCAS-NLMZKZONSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2cccc(-c3ccccc3)c2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEJYCGGHBWQHD-NLMZKZONSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2ccc(-c3ccccc3)cc2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKKJUISCEQSGNH-GUUNXTRESA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2cccc(NC(=O)c3ccccc3)c2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMVAROTPYELMZ-GUUNXTRESA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2ccc(NC(=O)c3ccccc3)cc2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5269635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFJDQLOGXHNTF-GUUNXTRESA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHWRPQKKFTGPO-GUUNXTRESA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXYMZBKRTGAUGQ-NLMZKZONSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](C#Cc2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AREWAYQZKDDFIR-BDRYGRRRSA-N", "SMILES:NC[C@H]1O[C@@H](O[C@@H](c2cn(Cc3ccc(Cc4ccc(C(=O)c5ccccc5)cc4)cc3)nn2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLOPMVTMMPZMV-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1)N1CCCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLOPMVTMMPZMV-HXUWFJFHSA-N", "SMILES:O=C(c1cccc(-c2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1)N1CCC[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLOPMVTMMPZMV-FQEVSTJZSA-N", "SMILES:O=C(c1cccc(-c2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1)N1CCC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXYFNQSNOGJFPH-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cccc(F)c4)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHLREKKUBRTCW-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4ccccc4)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHTSBEPBQXPFGV-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cccc(Cl)c4)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRLGVNFDCKMAJG-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cccc(Br)c4)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTVJETTVXDJJMM-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cccc([N+](=O)[O-])c4)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOBCBICLXVCIJJ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cccc(C(F)(F)F)c4)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXWFEUPHDSMRI-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4ccccc4F)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUPHAZRGAJLLE-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4ccc(F)cc4)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJZIBJIYEGGQNX-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cccc(F)c4F)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMOAKNNUKZCEHJ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4ccc(F)cc4F)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKIKDLBRAJZCGP-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYGAYBNYCLVQB-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4c(F)cccc4F)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRHSFWUDJKQMP-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cc(F)cc(F)c4)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJPPKOROGOZZCS-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cc(F)c(F)c(F)c4)cc23)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCKWXIIZBEBIC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cccc(Nc3n[nH]c4ncc(Cc5cc(F)ccc5F)cc34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHAISOFORIKSN-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1)N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUKXAXFAUAVGTP-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1)N1CCCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHNZYIFAXFUJK-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYEWKMLSJVGGND-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2cccc(Nc3n[nH]c4ncc(Cc5cc(F)ccc5F)cc34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5291491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRKTZRIICKZCR-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1cccc(Nc2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXRCGTGJDGCZCO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCXDDXSCAGWFGX-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(Nc3n[nH]c4ncc(Cc5cc(F)ccc5F)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIULFSCXHUGGN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)cc1)N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOFJASPYIAGCQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)cc1)N1CCCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVOHILVWBMWZOL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFGHUHNUPNPIOL-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2ccc(Nc3n[nH]c4ncc(Cc5cc(F)ccc5F)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHNGLTZZUWFCH-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1ccc(Nc2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5270643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPJDEAIXHDIGN-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cccc(-c3n[nH]c4ncc(Cc5cc(F)ccc5F)cc34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPFVQPPGEOMLLL-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1)N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPVKPONFJYJZOZ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBTKCHZJFHGQBS-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3n[nH]c4ncc(Cc5cc(F)ccc5F)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZNMQSXIEANWNC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)cc1)N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVOTEXWHIOGMU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)cc1)N1CCCC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5286567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGYLJCBDORCAU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVYKBARNSMGXPZ-OLTRRQNTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)/C=N/OCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGRYZFBJINKGB-UHFFFAOYSA-N", "SMILES:NOCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKAUMCIXJXMGNM-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULYMXTUXOPDIG-ZDUSSCGKSA-N", "SMILES:CC(C)C[C@@H](C(N)=O)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZALQXINYORAO-MIIQBLTRSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=N/OCc1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL272881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPUCENNUFNCQO-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUQEQDQGRJVMJ-OHQYCOGBSA-N", "SMILES:NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCNC(=O)OCc1cn(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5275727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHOKSZPMJFZVOM-CXOSAIITSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCNC(=O)OCc1cn(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFCNLVUGGJYEX-DHRBKSIMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)/C=N/OCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYDWUJZZVUIJH-LBURKSJTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)/C=N/OCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5282667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOIVYVYLDQJIMW-ONFFMKDPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)/C=N/OCc1ccc(S(N)(=O)=O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLZUPPGCDINMG-XSFFOXFNSA-N", "SMILES:NC(=O)[C@H](CO)NC(=O)/C=N/OCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCLCMIALYJYYNU-ZDUSSCGKSA-N", "SMILES:C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(-n5cccc5)c4s3)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVDETGJQRTLDW-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCN(CC3CCCCC3)CC2)sc2c(-n3cccc3)cc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJPGGLJMCHLEIK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)O)cc1OCCN1CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGVWBIUWHHDYCY-INIZCTEOSA-N", "SMILES:Cc1ccc(CC(=O)O)cc1OCCN1CCN(c2nc3ccc(Cl)cc3s2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPLTXOWOJNWKCJ-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(c2nc3ccc(Cl)cc3s2)CCN1CCOc1cc(CC(=O)O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5281528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPLTXOWOJNWKCJ-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2nc3ccc(Cl)cc3s2)CCN1CCOc1cc(CC(=O)O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5278648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEWDWCKHTFNUTA-UHFFFAOYSA-N", "SMILES:CC1CN(c2nc3ccc(Cl)cc3s2)CCC1CCOc1cc(CC(=O)O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DORQQPRGWXDMDY-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(CCOc2cc(CC(=O)O)ccc2Cl)CCN1c1nc2ccc(Cl)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DORQQPRGWXDMDY-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(CCOc2cc(CC(=O)O)ccc2Cl)CCN1c1nc2ccc(Cl)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIUXOKNJHLPLN-BHWOMJMDSA-N", "SMILES:CC[C@H]1CN(c2nc3ccc(Cl)cc3s2)CCC1CCOc1cc(CC(=O)O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5271300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJANOKPCWNKQDB-GGYWPGCISA-N", "SMILES:CC(C)C[C@H]1CN(c2nc3ccc(Cl)cc3s2)CCC1CCOc1cc(CC(=O)O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FERGAQDBZAJZNY-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(c2nc3ccc(C(F)(F)F)cc3s2)CCN1CCOc1cc(CC(=O)O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKWZGBREFFBGT-KRWDZBQOSA-N", "SMILES:CC[C@H]1CN(c2nc3ccc(C(F)(F)F)cc3s2)CCN1CCOc1cc(CC(=O)O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFQMAQSAUVRLP-UHFFFAOYSA-N", "SMILES:Cc1cc(CC(=O)O)cc(CN2CCN(c3nc4ccc(C(F)(F)F)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAKZZAZJGNQFD-OAHLLOKOSA-N", "SMILES:Cc1cc(CC(=O)O)cc(CN2CCN(c3nc4ccc(C(F)(F)F)cc4s3)C[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAKZZAZJGNQFD-HNNXBMFYSA-N", "SMILES:Cc1cc(CC(=O)O)cc(CN2CCN(c3nc4ccc(C(F)(F)F)cc4s3)C[C@@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5273427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVXGLCUTIOCPRK-HNNXBMFYSA-N", "SMILES:Cc1cc(CC(=O)O)cc(CN2CCN(c3nc4ccc(C(F)(F)F)cc4s3)[C@@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVXGLCUTIOCPRK-OAHLLOKOSA-N", "SMILES:Cc1cc(CC(=O)O)cc(CN2CCN(c3nc4ccc(C(F)(F)F)cc4s3)[C@H](C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5268424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKXSRSXIGZPCY-IBGZPJMESA-N", "SMILES:CC[C@H]1CN(Cc2cc(C)cc(CC(=O)O)c2)CCN1c1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKXSRSXIGZPCY-LJQANCHMSA-N", "SMILES:CC[C@@H]1CN(Cc2cc(C)cc(CC(=O)O)c2)CCN1c1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVZUBLMVVIWYLZ-OAQYLSRUSA-N", "SMILES:Cc1cc(CC(=O)O)cc(CN2CCN(c3nc4ccc(C(F)(F)F)cc4s3)[C@@H](C(C)C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVZUBLMVVIWYLZ-NRFANRHFSA-N", "SMILES:Cc1cc(CC(=O)O)cc(CN2CCN(c3nc4ccc(C(F)(F)F)cc4s3)[C@H](C(C)C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGGLJZCPWVYHD-NRFANRHFSA-N", "SMILES:Cc1cc(CC(=O)O)cc(CN2CCN(c3nc4ccc(C(F)(F)F)cc4s3)[C@@H](CC(C)C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGGLJZCPWVYHD-OAQYLSRUSA-N", "SMILES:Cc1cc(CC(=O)O)cc(CN2CCN(c3nc4ccc(C(F)(F)F)cc4s3)[C@H](CC(C)C)C2)c1"]}
{"name": "Acetyl esterase (Acetylxylosidase)", "xref": ["CHEMBL.TARGET:CHEMBL5303331"], "id": "UniProtKB:Q8ABF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2106185", "category": ["biolink:ChemicalEntity"], "name": "DIACETAMATE", "xref": ["InChIKey:UJAOSPFULOFZRR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(OC(C)=O)cc1"], "synonym": ["Diacetamate", "Diacetamato", "Acetaminophen related compound a", "N,o-diacetyl-4-aminopheno", "NSC-33893", "NSC-6083"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL46102", "category": ["biolink:ChemicalEntity"], "name": "ROXATIDINE ACETATE", "xref": ["InChIKey:SMTZFNFIKUPEJC-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1"], "synonym": ["Roxatidine acetate", "Roxatidine acetate", "Pifatidine"], "chembl_prodrug": true, "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5305350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRURYQJSLYLRLN-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)C(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1"], "chembl_natural_product": true}
{"name": "Nitroreductase-like protein", "xref": ["CHEMBL.TARGET:CHEMBL5303315"], "id": "UniProtKB:Q8AB93", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "Endoglucanase E (EGE)", "xref": ["CHEMBL.TARGET:CHEMBL5303325"], "id": "UniProtKB:Q8AAL9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "Acylhydrolase", "xref": ["CHEMBL.TARGET:CHEMBL5303332"], "id": "UniProtKB:Q8AA96", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4296981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZRVZJJTULAOH-UHFFFAOYSA-N", "SMILES:C#CC1(O)CCC2C3CCC4=Cc5oncc5CC4(C)C3CCC21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3182644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBHSPRKOSMHSIF-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)C12N=C(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4777053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOBLHFUVNSFZPJ-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)C1(OC(C)=O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C"]}
{"name": "Nitroreductase", "xref": ["CHEMBL.TARGET:CHEMBL5303316"], "id": "UniProtKB:Q8A911", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "NADH dehydrogenase/NAD(P)H nitroreductase", "xref": ["CHEMBL.TARGET:CHEMBL5303326"], "id": "UniProtKB:Q8A8L9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "Xylanase", "xref": ["CHEMBL.TARGET:CHEMBL5303327"], "id": "UniProtKB:Q8A8H5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"id": "CHEMBL.COMPOUND:CHEMBL345083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLUAFEHZUWYNDE-UHFFFAOYSA-N", "SMILES:CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4"], "chembl_natural_product": true}
{"name": "General stress protein", "xref": ["CHEMBL.TARGET:CHEMBL5303308"], "id": "UniProtKB:Q8A7U5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242", "category": ["biolink:ChemicalEntity"], "name": "PHENAZOPYRIDINE", "xref": ["InChIKey:QPFYXYFORQJZEC-FOCLMDBBSA-N", "SMILES:Nc1ccc(/N=N/c2ccccc2)c(N)n1"], "synonym": ["Phenazopyridine", "Phenazopyridine", "Phenazopyridine", "Fenazopiridina", "Phenazopyridine", "Phenazopyridine", "NSC-145895"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL3184827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWYNJERNGUHSAO-UHFFFAOYSA-N", "SMILES:C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC"], "chembl_natural_product": true}
{"name": "3-oxo-5-alpha-steroid 4-dehydrogenase", "synonym": ["3-oxo-5-alpha-steroid 4-dehydrogenase 1"], "xref": ["CHEMBL.TARGET:CHEMBL5303336"], "id": "UniProtKB:Q8A618", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMONTRJLAWHYGT-UHFFFAOYSA-N", "SMILES:C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C"], "chembl_natural_product": true}
{"name": "Regulatory protein", "xref": ["CHEMBL.TARGET:CHEMBL5303333"], "id": "UniProtKB:Q8A576", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "Acyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL5303334"], "id": "UniProtKB:Q8A575", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "Lipase", "xref": ["CHEMBL.TARGET:CHEMBL5303311"], "id": "UniProtKB:Q8A3J3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "Lipoprotein", "xref": ["CHEMBL.TARGET:CHEMBL5303317"], "id": "UniProtKB:Q8A343", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "Sialic acid-specific acetylesterase", "xref": ["CHEMBL.TARGET:CHEMBL5303328"], "id": "UniProtKB:Q8A331", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "Lipolytic enzyme, G-D-S-L family", "xref": ["CHEMBL.TARGET:CHEMBL5303318"], "id": "UniProtKB:Q8A0E6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "Sialic acid-specific 9-O-acetylesterase", "xref": ["CHEMBL.TARGET:CHEMBL5303321"], "id": "UniProtKB:Q8A0D0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "Lipolytic enzyme, G-D-S-L family", "xref": ["CHEMBL.TARGET:CHEMBL5303309"], "id": "UniProtKB:Q8A0C5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:226186"]}
{"name": "GDSL-like protein", "xref": ["CHEMBL.TARGET:CHEMBL5303335"], "id": "UniProtKB:A4E7D0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:411903"]}
{"name": "GDSL-like protein", "xref": ["CHEMBL.TARGET:CHEMBL5303329"], "id": "UniProtKB:A4E8S4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:411903"]}
{"name": "Diguanylate cyclase", "xref": ["CHEMBL.TARGET:CHEMBL5303322"], "id": "UniProtKB:A4EB91", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:411903"]}
{"name": "Pyridine nucleotide-disulfide oxidoreductase", "xref": ["CHEMBL.TARGET:CHEMBL5303337"], "id": "UniProtKB:A4EBM5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:411903"]}
{"name": "Flavodoxin", "xref": ["CHEMBL.TARGET:CHEMBL5303323"], "id": "UniProtKB:A4ED08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:411903"]}
{"name": "Nitroreductase domain-containing protein", "xref": ["CHEMBL.TARGET:CHEMBL5303313"], "id": "UniProtKB:B6VU18", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:483217"]}
{"name": "SGNH hydrolase-type esterase domain-containing protein", "xref": ["CHEMBL.TARGET:CHEMBL5303330"], "id": "UniProtKB:B6VTE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:483217"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3186202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METQSPRSQINEEU-UHFFFAOYSA-N", "SMILES:CC12CCC(=O)C=C1C1CC1C1C2CCC2(C)C1C1CC1C21CCC(=O)O1"], "chembl_natural_product": true}
{"name": "Steroid 5-alpha reductase C-terminal domain-containing protein", "synonym": ["3-oxo-5-alpha-steroid 4-dehydrogenase 1"], "xref": ["CHEMBL.TARGET:CHEMBL5303312"], "id": "UniProtKB:B6W0N3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:483217"]}
{"name": "SGNH hydrolase-type esterase domain-containing protein", "xref": ["CHEMBL.TARGET:CHEMBL5303310"], "id": "UniProtKB:B6W1J1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:483217"]}
{"name": "SGNH hydrolase-type esterase domain-containing protein", "xref": ["CHEMBL.TARGET:CHEMBL5303319"], "id": "UniProtKB:B6W293", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:483217"]}
{"name": "Acyltransferase 3 domain-containing protein", "xref": ["CHEMBL.TARGET:CHEMBL5303324"], "id": "UniProtKB:B6W2J3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:483217"]}
{"name": "Esterase", "xref": ["CHEMBL.TARGET:CHEMBL5303320"], "id": "UniProtKB:B6W2J6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:483217"]}
{"name": "Nitroreductase domain-containing protein", "xref": ["CHEMBL.TARGET:CHEMBL5303314"], "id": "UniProtKB:B6W3P3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:483217"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1422849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGAPBLRRJSKIRT-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL542700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWHJCLOUYPAOH-UHFFFAOYSA-N", "SMILES:Cl.Oc1cc2c(cc1O)C(c1ccccc1)CNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJVAVGBSGRRKN-JYEBCORGSA-N", "SMILES:COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3797437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQPMEGCCWPTRI-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1C(c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL289356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOJLJKMUGYYKCZ-UHFFFAOYSA-N", "SMILES:Sc1nnc(Nc2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1725120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGDWLDSVPJEJU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1339149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHVMSYDTOYCGDZ-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1713178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNUVVDFGSDHGN-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1397952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUOOFZJZQYFZQW-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL192627", "category": ["biolink:ChemicalEntity"], "name": "CHLORANIL", "xref": ["InChIKey:UGNWTBMOAKPKBL-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL243652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVDRGTXPDNZQZ-UHFFFAOYSA-N", "SMILES:O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPSEIKHZBDCBJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQDJAUGGZFPOI-UHFFFAOYSA-N", "SMILES:Cl.Cl.Nc1ccc(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXPVOLWQNNGFHA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(N)sc(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1608472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFKWFHMKVZEDEN-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(N2C(=O)CC(Sc3nc[nH]n3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZHVNZHFYCSEV-UHFFFAOYSA-N", "SMILES:Sc1nnnn1-c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL119171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDJAMXESTUWLO-UHFFFAOYSA-N", "SMILES:Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5306109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPNSHNRCQOTRI-UHFFFAOYSA-N", "SMILES:N.N.N.O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKDHFIPNTTUSIA-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(C)cn(Cc2nnc(-c3ccc(F)c(O)c3F)s2)c1=O"]}
{"name": "17-beta-hydroxysteroid dehydrogenase 13", "xref": ["CHEMBL.TARGET:CHEMBL5305042"], "id": "UniProtKB:Q7Z5P4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5308145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVCKWZATGBVYEN-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(C)cn(Cc2nnc(-c3ccc(F)c(OC)c3F)s2)c1=O"]}
{"name": "17-beta-hydroxysteroid dehydrogenase 13", "xref": ["CHEMBL.TARGET:CHEMBL5305044"], "id": "UniProtKB:Q8VCR2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5303508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKRNPPUSQSCHN-UHFFFAOYSA-N", "SMILES:CCn1c(CNC(=O)c2nc(Cl)cnc2N)[n+](CC)c2ccc(C(=O)N(C)CCN(C)C)cc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVUMILBJWCTUNT-UHFFFAOYSA-N", "SMILES:CCn1c(CNC(=O)c2ncc(C)nc2N)[n+](CC)c2ccc(C(=O)N(C)CN(C)C)cc21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5303444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWMGIHUWUIICDA-GASCZTMLSA-N", "SMILES:C[C@@H]1C[C@H](C)CN(c2ncc(Cl)c(Nc3ccc4c(c3)cc(OC(C)(C)C(=O)O)c(=O)n4C)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPPMVTBTTJNVKP-ZDUSSCGKSA-N", "SMILES:CCC[C@H]1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5308250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPPMVTBTTJNVKP-CYBMUJFWSA-N", "SMILES:CCC[C@@H]1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5308262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLVGTKXOIMODQ-IBGZPJMESA-N", "SMILES:COC[C@H](NC(=O)c1ccn(S(C)(=O)=O)c1)C(=O)Nc1nc(-c2cccc(-c3ccn(C)n3)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURAYLSMFLQNMM-UHFFFAOYSA-N", "SMILES:COCCOCCn1nc2c(c1C)-c1c(Cl)ccc3c1c(C)c(C(=O)O)n3CCCOc1cc(cc3c(F)c(Cl)ccc13)CCc1cc(nn1C)CSC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUVOYGUFQRWXGQ-UHFFFAOYSA-N", "SMILES:COCCOCCn1nc(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccc(F)cc3c1)OCCCn1c(C(=O)O)c(C)c3c-2c(Cl)ccc31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECLXQDMAJQBCR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nccc3c2CN(c2ccccc2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVQBGUIOFAMIJK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)N2CCN(C3CN(C(=O)c4ccc(-c5ccccc5)cc4)C3)CC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRQUNEHQJQYCHW-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCCN1C(=O)COc1cccc2ccccc12"]}
{"name": "Aminopeptidase", "xref": ["CHEMBL.TARGET:CHEMBL5305023"], "id": "UniProtKB:V5BWE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1416333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYGVAMWGCPTYEJ-UHFFFAOYSA-N", "SMILES:CC1c2ccsc2CCN1C(=O)c1ccc(-n2cnnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOVFYHFVDEOKZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C2SCCS2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1354909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHJWCYAHCSYBEO-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(C(=O)Nc3nc(-c4ccccn4)cs3)c(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPYHNFVAHTZQY-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C(=O)O)c(Cl)cc4Cl)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQATQUOMJVTMC-UHFFFAOYSA-N", "SMILES:O=C(CN1NS(=O)(=O)c2ccccc2C1=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLCMXGUUWXJRB-UHFFFAOYSA-N", "SMILES:Nc1[nH]cnc1-c1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5308066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCKJQOPIXPVFL-UHFFFAOYSA-N", "SMILES:Cn1ccnc1C(NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4928306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDCPQBMGKLPFFS-UHFFFAOYSA-N", "SMILES:O=C(NCC(=O)N1CCc2ccccc2C1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5308023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXFVLFLCZXCRIM-YEEURNOCSA-N", "SMILES:COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(-c5ccccc5C)cc4)C[C@H]32)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRZRMRWMKGFRD-UHFFFAOYSA-N", "SMILES:OCc1nnc2n1CCN(Cc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQWPPYUYOQDSKS-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2nc(-c3ccccn3)cs2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWFRKGOVHDYIDY-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2ccc(OCCn3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUCHNTJMGNROEI-UHFFFAOYSA-N", "SMILES:CCOc1ncc(C2(O)CCN(CC3=Cc4ccccc4OC3)CC2)c(OCC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWDMGQNVBZWFL-PTNGSMBKSA-N", "SMILES:N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5308019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCJCAVSZHGTJJG-UHFFFAOYSA-N", "SMILES:NC(=O)C1Cc2ccccc2CN1C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTPZFUWDSWDJA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)c(C(=O)O)c3)n2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5305973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWGJFLPOZYUCQR-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCn2c(C(F)(F)F)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJNYYWYCUUGRF-VQHVLOKHSA-N", "SMILES:CNC(=O)C1Cc2ccccc2CN1C(=O)/C=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRZHNROUUAMQHR-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)sc2c1CCN(c1ccc3nnc(C(F)(F)F)n3n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5305936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJQJIUDHHXHXRM-UHFFFAOYSA-N", "SMILES:Nc1nncn1C(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5308010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLMUSXZTKWNBT-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(N2CCCC2=O)n1)NCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYMVNCHMKMUHN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc(-c3ccccn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBBCJCXKSNFWBV-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5305464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJESQWMMMODGOF-UHFFFAOYSA-N", "SMILES:CC(=O)NC(CC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5305579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWRUEQWFEZYTTR-QGZVFWFLSA-N", "SMILES:O=C(NC(CO)Cc1ccccc1)C1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKHXWSLKEIKURW-VIFPVBQESA-N", "SMILES:C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHSEEXNDHVQQE-UHFFFAOYSA-N", "SMILES:NC(=O)C1Cc2ccccc2CN1C(=O)Cc1cn2ccsc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWDWROOLPGPWOO-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc2n(c1=O)CCCCC2)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5305466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBVHAFDEJOQSE-UHFFFAOYSA-N", "SMILES:CCN(CC(=O)Nc1ccccc1OC)C(=O)CNC(=O)Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5306146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZVEUUESJTXIK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)NC1=NCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5307995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYHMBVXJSFWEN-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cc2cnc(NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)s2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5305673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKNURRWXCSLHNH-ODLFYWEKSA-N", "SMILES:O=C(O)c1ccc(COc2ccc(/C=c3\\sc4nc5ccccc5n4c3=O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCXICBCMNKOWFI-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCc4cn(CCOCCOc5ccc(Cn6ccc7ccc(C(=O)NO)cc76)cc5)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHVQJHYJHROEI-OALUTQOASA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXNIZKCMMLOFMY-OALUTQOASA-N", "SMILES:CCCCCCC(=O)N1[C@H](C(=O)OC)Cc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPVCYRUDUJGKLA-GJZGRUSLSA-N", "SMILES:C=CC(=O)N1[C@H](C(=O)OC)Cc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBYCKTVNBDWQD-ROUUACIJSA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWQBZMXGRQEDC-GOTSBHOMSA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQPBWGZHAOFIHW-OALUTQOASA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMHGDWTOPYUBR-OALUTQOASA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOFZOAAPSCNUAF-OALUTQOASA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGTCVUBZQLEMNB-OALUTQOASA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXPNFOIQKVAKZ-ROUUACIJSA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJVWMPTLIDKKR-OALUTQOASA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQGCVCNMQDUWJI-OALUTQOASA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZLSRXUELSZHBD-OALUTQOASA-N", "SMILES:COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSMFUXFMRDLBDG-SFTDATJTSA-N", "SMILES:CCCOC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRINSMGSMXBCRP-PMACEKPBSA-N", "SMILES:COC(=O)COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKBSYXOUFZMEX-ZEQRLZLVSA-N", "SMILES:O=C(Oc1ccccc1)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQKQYHMMBRGNQR-PMACEKPBSA-N", "SMILES:CN(C)C(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIQIMPEVSVFGT-PMACEKPBSA-N", "SMILES:COC(=O)CNC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYBASULCXLWOAP-GOTSBHOMSA-N", "SMILES:O=C(Nc1ccncc1)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGGSEOEQKUAQZ-ROUUACIJSA-N", "SMILES:O=C(O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZYTWCDHJFBLR-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEKRQRKIUOWCY-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYVQGSOVLFXOA-UHFFFAOYSA-N", "SMILES:Cc1nc2nc(C)c(CCC(=O)Nc3nnc(-c4ccccc4)s3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVGIVEIYJJCKMC-UHFFFAOYSA-N", "SMILES:Cc1nc2nc(C)c(CCNC(=O)c3nnc(-c4ccccc4)s3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALGGRBUPTOZUNI-UHFFFAOYSA-N", "SMILES:Cc1nc2nc(C)c(CCNC(=O)c3ccc(-c4ccccc4)cc3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWLFERCDCHPHJF-UHFFFAOYSA-N", "SMILES:Cc1nc2nc(C)c(CCNC(=O)c3cnc(-c4ccccc4)cn3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBAKHRPSDRUWQU-UHFFFAOYSA-N", "SMILES:Cc1nc2nc(C)c(CCNC(=O)c3cnc(-c4ccc(CN5CCOCC5)cc4)cn3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUHHTOYKNQLRC-XMMPIXPASA-N", "SMILES:Cc1nc2nc(C)c(CCNC(=O)c3cnc(-c4ccc([C@H]5COCCN5C)cc4)cn3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUHHTOYKNQLRC-DEOSSOPVSA-N", "SMILES:Cc1nc2nc(C)c(CCNC(=O)c3cnc(-c4ccc([C@@H]5COCCN5C)cc4)cn3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYLUEXFFFDOLC-QHCPKHFHSA-N", "SMILES:Cc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(-c5ccc(CN6CCOCC6)cc5)cn4)C3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEONLCQSOYNRDU-QFIPXVFZSA-N", "SMILES:Cc1nc2nc(C)c(C[C@@H]3CCN(c4ccc(-c5cnc(CN6CCOCC6)cn5)cc4)C3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPHUCXIVVLIOX-QFIPXVFZSA-N", "SMILES:Cc1nc2nc(C)c(C[C@@H]3CCN(c4ccc(-c5ccc(CN6CCOCC6)nn5)cc4)C3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNHEXFQJDQUNE-QHCPKHFHSA-N", "SMILES:Cc1nc2nc(C)c(C[C@@H]3CCN(c4ccc(-c5ccc(CN6CCN(C)CC6)nn5)cc4)C3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHDAGSZQGNWGFE-XMMPIXPASA-N", "SMILES:Cc1nc2nc(C)c(O[C@@H]3CCN(c4ccc(-c5ccc(CN6CCOCC6)nn5)cc4)C3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYNCRIFLBESEU-RUZDIDTESA-N", "SMILES:Cc1nc2nc(C)c(O[C@@H]3CCN(c4ccc(-c5ccc(CN6CCN(C)CC6)nn5)cc4)C3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGXLOMINXVRCP-AREMUKBSSA-N", "SMILES:CC(=O)N1CCN(Cc2ccc(-c3ccc(N4CC[C@@H](Oc5c(C)nc6nc(C)nn6c5C)C4)cc3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFDRDXABJWRVBI-DEOSSOPVSA-N", "SMILES:Cc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(-c5ccc(CN6CCN(C)CC6)cc5)cn4)C3)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEOELIZXPFQOY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(SCC(=O)Nc3sc4c(c3C#N)CCC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJPHJVBSCKILK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAZWCKOVTNLOOF-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(-c2nc3ccccc3o2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGWPESISLPZSH-FSRHSHDFSA-M", "SMILES:C[N+]1(C)CC[C@@H](Oc2ccc(-c3ccc4[nH]ccc4c3)cc2)C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQIFOUORPWMOCM-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccccc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEGOWPIVJLKTQY-UHFFFAOYSA-M", "SMILES:C=Cc1ccc(OCC[N+](CC)(CC)CC)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQHGEZNRYHOBY-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(-c2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOJNFFBGBVUFT-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(CCc2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBDLJMPQDOAOFC-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(C#Cc2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUHTWLKMYPIHKO-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(-c2ccc3ccccc3c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVHWFAAIJMRQD-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(-c2cccc3ccccc23)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAEVBGYUIAIMGN-KLSJZZFUSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2cccc3ccccc23)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJNHKRJZSPKDJR-CALJPSDSSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccc3ccccc3c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBNRMWGKRYDKOQ-JHGYPSGKSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccccc2Br)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXPMODWWEBXNNN-ASTDGNLGSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2cccc(Br)c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDLMLSPYIWRZJE-USRGLUTNSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccc(Br)cc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYNWRTMLBHNZQH-ASTDGNLGSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAKKNFNAKENOV-USRGLUTNSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWADYYYVZNYUCL-CALJPSDSSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2cccc(OC)c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITDBDJANGZFJR-HRNDJLQDSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccc(OC)cc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBOGVQZBHYICE-ASTDGNLGSA-N", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2cccc(O)c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNMVLBRYQCZEKP-USRGLUTNSA-N", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccc(O)cc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQOOZRXNZQVSIV-RRABGKBLSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUXZIDVTRILCTQ-USRGLUTNSA-N", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPLDYPFBALYVLK-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(OCc2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGEWNXUMYGBPKY-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(COc2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMUNWSKAAGSQKK-UHFFFAOYSA-N", "SMILES:CC[N+](CC)(CC)CCOc1ccc(NC(=O)c2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHKAKYVYDLMSS-UHFFFAOYSA-N", "SMILES:CC[N+](CC)(CC)CCOc1ccc(C(=O)Nc2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVULMFMPEJIAGU-QUABFQRHSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(/N=N/c2ccccc2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKULJVNLXLAEPH-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(-c2nc3ccccc3[nH]2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFTLAHZGWZVJPD-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(-c2ccc3cc[nH]c3c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRUVFHOSKWMLH-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(-c2ccc3[nH]ccc3c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDUJYGTLRIHOU-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CC)CCOc1ccc(-c2ccc3occc3c2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIFNQMMHUWWMKM-VIJAYCRASA-N", "SMILES:C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCVUOLYAYXOSX-ISWKXVRNSA-N", "SMILES:C=C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQVZROLCMPZLI-ISWKXVRNSA-N", "SMILES:CC[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGSKQLDUFOSPO-PSXNISQTSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccc(-c3ccccc3)cc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMTQJHIRBXSJII-UUTQCIBDSA-N", "SMILES:CC#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSUSDOWZHLRHL-PEFNEFTPSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)[C@](O)(C#CC2CC2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBFKXASPFJPBL-CGVUBNKBSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DROWJVKUNLDXKB-BIHWLCQNSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(CC)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDYLKXGMLRQOZ-NLSJSLKGSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(CC=C)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKJVGNYMAPMOY-PWKYIOIESA-N", "SMILES:C#CCC(OC[C@H]1O[C@@H](n2cnc3c(NC(C)C)cc(Cl)nc32)[C@H](O)[C@@]1(O)C#C)(C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZSSDJGSFJEXFV-YGRIRRHQSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccsc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWNKMQPANFUXEO-YGRIRRHQSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2cccs2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJVSWIMPUDYPJA-CYMLNUMWSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2nccs2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKWAISZVXNSIS-LQSXRWDUSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2cscn2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVLOYFBBTXPSF-LQSXRWDUSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2cncs2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUKXFSCPZPZGP-VIJAYCRASA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccncc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAAKNRJXAMRPFU-SYJLGCKCSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccnc(Cl)c2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBSVFRCFMHGFV-UUTQCIBDSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSXICUDHAIBNGD-RLDBSTLUSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(NCC)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMABCHJHLUQKLM-PEFNEFTPSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(NC(C)C)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRIGPLIGWRKBTQ-ZSZPVPIUSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(NCC4CC4)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTYPYCEBYTBRH-IHVPEWQASA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXYZCRYZVURRJ-BTMJSYPGSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N[C@H](C)c4ccccc4)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXYZCRYZVURRJ-PYWVMKBISA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N[C@@H](C)c4ccccc4)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDCMYDFTMAEIL-RLDBSTLUSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(NCCO)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBDXFQGDOCNKR-RLDBSTLUSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N(C)C)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KICWYUMOVDZLBL-PEFNEFTPSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N4CC(O)C4)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMQFGYFSACDFJ-ZGCBHORLSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(NC(C)C)cc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFSGJANVDUHFX-DTIJRBEXSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N(C)C)cc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFQKBJYYRNUQKC-RAOAOTKRSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(-c4cccs4)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAMYAJPNOYQWCX-MSBWPPHFSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccc(-c3ccccc3C(=O)O)cc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBMIJOFAXSWAN-OVJZRAFVSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccc(-c3ccc[nH]c3=O)cc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGQBVNFUKBANX-AZTDZYQASA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccc(N3CCCCC3=O)cc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROWSPNRRBJYDCU-IRJNKLFQSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccc(N3CCCNC3=O)cc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWGQJNAZGZERSN-ISWKXVRNSA-N", "SMILES:C#C[C@@]1(O)[C@@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZKPWFNIIBZJD-XNIJJKJLSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBBPTRNEDUTLL-DDFXLWFNSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(Cc2ccccc2)(C(=O)O)C(=O)O)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILKMPYRFSDHIS-DSPLJNTKSA-N", "SMILES:CN(C(=O)c1ccccc1)c1ccc(CC(OC[C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@@H](F)[C@@H]2O)(C(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQBXIOLUHUCIQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(COc2cccc3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISBMNRKBWKBERC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNc2cccc3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVULBOQAFDMOV-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(C(=O)O)cc1)c1cccc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWXKUFBADADDP-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(COc2cccc3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAXSZXAPUBXXPD-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(COc2cccc3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BULZEKWNOOXESS-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2cccc3c2CCC3)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWONMBDFCIWRU-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2ccc(C(=O)O)cc2)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEMPEZHGXXLTG-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2cccc3c2CCC3)ccc1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHTYUTCJRPYMEH-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2ccc(CC(=O)O)cc2)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMPMOVJTIUBBJN-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2cccc3c2CCC3)ccc1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTEDRUNFUMUGIZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2ccc(CCC(=O)O)cc2)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZHZRUZFVLFPV-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2ccc(C)c3c2CCC3)ccc1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRJAMDGBKIOVBS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(COc2cccc3c2CCC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRYHKRVCUCVUHN-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2ccc(C(=O)O)c(F)c2)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCAVBOVLZYNAEI-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(COc2cccc3c2CCC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJYSGUARLMQGV-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2ccc(CCC(=O)O)c(Cl)c2)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSTZMSLVHXBQM-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(COc2cccc3c2CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXSLBPRABAFXAF-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCc2ccc(CCC(=O)O)c(F)c2)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBYYDLZXZWWND-FGZHOGPDSA-N", "SMILES:O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3Nc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVJHHACXVLGBL-VBCBMUHNSA-N", "SMILES:CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5438431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJYMJULXQKGMM-RXJKCUBDSA-N", "SMILES:CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1797640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFYGOYSNGFPHEN-UHFFFAOYSA-N", "SMILES:NC1CC1c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDVDLEPVLVTECB-UHFFFAOYSA-N", "SMILES:NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLLHILOPOQXRW-DTWKUNHWSA-N", "SMILES:N[C@@H]1C[C@H]1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLLHILOPOQXRW-IUCAKERBSA-N", "SMILES:N[C@H]1C[C@H]1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGXHZGDKDICAAG-RBUKOAKNSA-N", "SMILES:COCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(C2(C(=O)O)CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCAVLXJPDIQUIS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)nc(N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPHRPHMHAOPRTH-UHFFFAOYSA-N", "SMILES:CC(CO)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDZXTSOINJESSP-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(O)cc2c2c1NCCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5434569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVRNHCOUPKYLFC-UHFFFAOYSA-N", "SMILES:O=C1NCCCCc2c1oc1ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRGGSONDRMSGI-UHFFFAOYSA-N", "SMILES:COC1=CC2C3=C(OC2C=C1)C(=O)NCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1504776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQJWTJLJEYIUDZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDRAUPLGHAFCU-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3cc(-c4cccc(C(=O)NCCN(C)C)c4)cnc3N)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTPXTDJWHSVDA-UHFFFAOYSA-N", "SMILES:Cc1ccnc(-c2nc(Nc3ccc4ncoc4c3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJXQZZYGYLKJG-AWEZNQCLSA-N", "SMILES:CC[C@H](N)CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRJFGNFDRSJKY-UHFFFAOYSA-N", "SMILES:Cc1ccnc(-c2nc(Nc3ccc4ncsc4c3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTLFWXCBJWEGG-UHFFFAOYSA-N", "SMILES:Cc1ccnc(-c2nc(Nc3ccc4occc4c3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USNPUXGJTMKOJS-UHFFFAOYSA-N", "SMILES:Cc1ccnc(-c2nc(Nc3ccc4ocnc4c3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWAPYDYMNNIKRI-UHFFFAOYSA-N", "SMILES:Cc1ccnc(-c2nc(Nc3ccc4[nH]ccc4c3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHUAGGSHTKPOHU-UHFFFAOYSA-N", "SMILES:O=C1NCCSc2c1sc1ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVHIOPOOPNXCLH-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL344955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPGNJQAIOXNWEY-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2c(-c3ccncc3)[nH]c3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVVNCQDCAMKKA-GEBKJHSDSA-N", "SMILES:O=C1N=C(N[C@H](CO)c2ccccc2)S/C1=C\\c1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCTKNEGNPUTZEY-GZJHNZOKSA-N", "SMILES:COc1ccc(O)c(C(=O)c2ccc(C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPMBTMATLNYOX-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(F)c3c(OCCO)cc(-c4ccc[nH]4)c1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQYDMYTZWKXAW-GNGUGDOWSA-N", "SMILES:COc1ccc(O)c(C(=O)c2ccc(C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNCSUVNYHDEDFN-BBJSDXRSSA-N", "SMILES:CNCC#Cc1c(F)ccc2c1/C(=C/c1[nH]ccc1OC)C(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL142425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXCFBQZWGUDQC-ZDUSSCGKSA-N", "SMILES:C[C@H](O)CNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1450770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AACFPJSJOWQNBN-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1oc1ccc(O)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5417637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXKUVSFZIJUJO-SFSJZPCWSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2cc(Br)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGCJFSKRSXUCY-SFSJZPCWSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2cc(Cl)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGZLOAMQVMABA-MRFVOJSPSA-N", "SMILES:Cl.N#Cc1cc2cccc(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIVCCWYANZGPG-MRFVOJSPSA-N", "SMILES:Cc1cc2cccc(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)c2[nH]1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEJPJYYTFYTKR-YBSOZDBQSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2cc(-c3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBWSNWNCNXLSKA-CLBAZBJRSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c(Br)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILIBLGKHJOIJX-CLBAZBJRSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c(Cl)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZCSIIZADBJIH-MRFVOJSPSA-N", "SMILES:Cl.N#Cc1c[nH]c2c(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQOBKTBWXCGTQF-ZIIMRPBFSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c([N+](=O)[O-])c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWCYNENTTCYLOX-MRFVOJSPSA-N", "SMILES:Cl.O=Cc1c[nH]c2c(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNRJPNXHGIHRN-WGOHONABSA-N", "SMILES:CC(=O)Nc1c[nH]c2c(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUGEXRLZMXLCM-MRFVOJSPSA-N", "SMILES:Cc1c[nH]c2c(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPVPWBMPRIPEC-DAQFEUKDSA-N", "SMILES:CC(C)c1c[nH]c2c(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJOXAHHYIGDDO-NNDYQCKDSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c(C3CCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCNIAOAPQJUPC-BSRSECMNSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c(C3CCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIHUZRRIYQILU-BSRSECMNSA-N", "SMILES:Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c(-c3ccccc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXKUVSFZIJUJO-MARJHAEGSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2cc(Br)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGCJFSKRSXUCY-MARJHAEGSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2cc(Cl)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGZLOAMQVMABA-VUCFCCPOSA-N", "SMILES:Cl.N#Cc1cc2cccc(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIVCCWYANZGPG-VUCFCCPOSA-N", "SMILES:Cc1cc2cccc(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)c2[nH]1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEJPJYYTFYTKR-NNSZDBMCSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2cc(-c3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBWSNWNCNXLSKA-KKIGFEGMSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c(Br)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILIBLGKHJOIJX-KKIGFEGMSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c(Cl)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIZCSIIZADBJIH-VUCFCCPOSA-N", "SMILES:Cl.N#Cc1c[nH]c2c(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQOBKTBWXCGTQF-GBXLZTKRSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c([N+](=O)[O-])c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWCYNENTTCYLOX-VUCFCCPOSA-N", "SMILES:Cl.O=Cc1c[nH]c2c(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTXXNXEWGUVMF-NNPDBWTESA-N", "SMILES:CC(=O)c1c[nH]c2c(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNRJPNXHGIHRN-CJEIKORLSA-N", "SMILES:CC(=O)Nc1c[nH]c2c(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUGEXRLZMXLCM-VUCFCCPOSA-N", "SMILES:Cc1c[nH]c2c(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPVPWBMPRIPEC-OXEJHQDISA-N", "SMILES:CC(C)c1c[nH]c2c(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJOXAHHYIGDDO-MCXQERHISA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c(C3CCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCNIAOAPQJUPC-QJKPNLTQSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c(C3CCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIHUZRRIYQILU-QJKPNLTQSA-N", "SMILES:Cl.O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2c(-c3ccccc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFHQLTFHZHQXAS-BCTJHDQDSA-N", "SMILES:O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTXXNXEWGUVMF-AIPQVTPKSA-N", "SMILES:CC(=O)c1c[nH]c2c(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cccc12.Cl"]}
{"name": "Alpha-1-acid glycoprotein 1", "xref": ["CHEMBL.TARGET:CHEMBL4285"], "id": "UniProtKB:P02763", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPJZBNIXYNFLE-IAOVORJPSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)NCCCCC#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)cc3)c2)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)NCCCCC#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)cc3)c2)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)NCCCCC#Cc2cccc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc(S(N)(=O)=O)cc3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSQGQUYHGMBDP-MXBOTTGLSA-N", "SMILES:COC(=O)c1ccc(-c2cc(F)cc([C@H]3N(C(=O)OC(C)(C)C)CC[C@]34C(=O)Nc3ccccc34)c2)cc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFGBSZIJBXPJHD-ZYEMSUIVSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)C(=O)NCCCCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZBUTPJWIBTNF-USYGSZCGSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)C(=O)NCCCCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOZBEDEUIULQK-LOHHRGQTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)C(=O)NCCCCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCRRBTYIHSEINH-YCRZZHRQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLSQLVQFHGCNHV-JOCHJYFZSA-N", "SMILES:N#Cc1ccc2cc1CCCOc1ccccc1[C@@H](CO)Nc1nc(ncc1-c1cn[nH]c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIJYDRGSAYMLLQ-HSZRJFAPSA-N", "SMILES:N#Cc1ccc2cc1CCCCOc1ccccc1[C@@H](CO)Nc1nc(ncc1-c1cn[nH]c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLEGHHJGBPLMJY-XMMPIXPASA-N", "SMILES:N#Cc1ccc2cc1CCCCCOc1ccccc1[C@@H](CO)Nc1nc(ncc1-c1cn[nH]c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHGGYKHBYSYRSV-JOCHJYFZSA-N", "SMILES:N#Cc1ccc2cc1COCCOc1ccccc1[C@@H](CO)Nc1nc(ncc1-c1cn[nH]c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXMDHWPRCNYKT-HSZRJFAPSA-N", "SMILES:CN1CCOc2ccccc2[C@@H](CO)Nc2nc(ncc2-c2cn[nH]c2)Nc2ccc(C#N)c(c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOJDKUXYLYKLKG-XMMPIXPASA-N", "SMILES:Cn1cc(-c2cnc3nc2N[C@H](CO)c2ccccc2OCCCCc2cc(ccc2C#N)N3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOIPLGKLNBGHY-RUZDIDTESA-N", "SMILES:N#Cc1ccc2cc1CCCCOc1ccccc1[C@@H](CO)Nc1nc(ncc1-c1cnn(CCO)c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXIGTMXVRAHGKF-HHHXNRCGSA-N", "SMILES:CN(C)CCn1cc(-c2cnc3nc2N[C@H](CO)c2ccccc2OCCCCc2cc(ccc2C#N)N3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSSNAGYVGTYAGH-AREMUKBSSA-N", "SMILES:CC(C)(O)Cn1cc(-c2cnc3nc2N[C@H](CO)c2ccccc2OCCCCc2cc(ccc2C#N)N3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRDIEUIHZRWEL-MUUNZHRXSA-N", "SMILES:N#Cc1ccc2cc1CCCCOc1ccccc1[C@@H](CO)Nc1nc(ncc1-c1cnn(C3CCNCC3)c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1476320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUEQHQOXCXEJSZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1451130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQINEFSQCFXZEN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXQAGCHSGRCYSI-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABFZMMVXSKGMJL-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZFCKBJUGBYHW-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTAIQUQZZKTCQ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJYOZHMEVKVOEI-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWVMSEWLDWKNDO-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQSYOONMRJLOIL-UHFFFAOYSA-N", "SMILES:COc1cc(Br)cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACZZXYDKMNROMY-UHFFFAOYSA-N", "SMILES:COc1cc(Br)cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGKHHFPXXEXKX-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFXSWINOQOCKD-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELGBAFBVFSPJF-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1698484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYGTXUJHVJVRM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHDWNKMFHEKGP-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1322022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMFTDSGLWYLKA-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHFASLHQVJJGGW-UHFFFAOYSA-N", "SMILES:COc1cc(Br)cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQDAKYXTUUGGNW-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2062131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZFFALZMRAPHQ-VCOUNFBDSA-N", "SMILES:CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5394226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMCWQMXCTIOSFB-UHFFFAOYSA-N", "SMILES:N#CN1Cc2cccc(Nc3cccc(C(F)(F)F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCTSHJXOIFKTDC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1Nc1cccc(C(F)(F)F)c1)CN(C#N)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYYJLQOPDWLFDU-UHFFFAOYSA-N", "SMILES:N#CN1Cc2cccc(Nc3ccc(C(F)(F)F)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLAZWTDTANKWLV-UHFFFAOYSA-N", "SMILES:N#CN1Cc2cccc(Nc3ccccc3C(F)(F)F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXPRRRRXYZDCK-UHFFFAOYSA-N", "SMILES:N#CN1Cc2ccc(F)c(Nc3cccc(C(F)(F)F)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GERZPMVLKADKPE-UHFFFAOYSA-N", "SMILES:N#CN1CC2CCCC(Nc3cccc(C(F)(F)F)c3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAWNDWQWOFOQKR-UHFFFAOYSA-N", "SMILES:N#CN1CC2CCCC(Nc3ccccc3C(F)(F)F)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFPFLFVCQGAILH-UHFFFAOYSA-N", "SMILES:N#CN1CC2CCCC(Nc3ccc(C(F)(F)F)cc3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJLJMNMVTQVARE-PXNSSMCTSA-N", "SMILES:CCNC(=O)c1ccc2c([C@H]3CCN(CC4(O)CCCCC4)C[C@@H]3C)c(C)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URDWEWAPLOEYQL-OAQYLSRUSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGMVFCGMXYGCD-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC2(O)CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIEAVXCJWPAWEY-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)nc(C)n2C1CCN(CC2(O)CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCGFOZDARLLJO-UWJYYQICSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)nc(C)n2[C@H]1CCN(CC2(O)CCCCC2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMDGTNULGWLGV-LPHOPBHVSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)nc(C(F)F)n2[C@H]1CCN(CC2(O)CCCCC2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBVLHBZTXWPEKI-RDPSFJRHSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)nc(-c1cccn(C)c1=O)n2[C@H]1CCN(CC2(O)CCCCC2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTHHBUWZQBUIU-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2c(C3CCN(CC4(O)CCCCC4)CC3)c(C)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJSQXSLYBJJFA-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2c(C3CCN(CC4(O)CCCCC4)CC3)c(-c3cccn(C)c3=O)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSSAFMJRJQJFKL-YNMSWQDYSA-N", "SMILES:CCNC(=O)c1ccc2c(C3CCN(CC4(O)C5CC6CC(C5)CC4C6)CC3)c(C)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHIDGFZIFNQKM-LPHOPBHVSA-N", "SMILES:CCNC(=O)c1ccc2c([C@H]3CCN(CC4(O)CCOCC4)C[C@@H]3C)c(C)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFVLCNBSPHIJU-UWJYYQICSA-N", "SMILES:Cc1nn2cc(C(=O)NCC3CC3)ccc2c1[C@H]1CCN(CC2(O)CCOCC2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXOIRFKEJPJYGP-AVRDEDQJSA-N", "SMILES:COC1(CN2CC[C@H](c3c(C)nn4cc(C(=O)NCC5CC5)ccc34)[C@@H](C)C2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTKYEZDEXRCBK-RVCBHFSWSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUQLWEYDHCPEGN-QYMKNGPYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDVMTIVOGMTRU-CZSAYBOZSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVYIAMLXGSLBA-ACVSEINWSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVIVLGHOUAQSRA-MFUWQLKVSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJQYAQDSOFCIJ-OFXOIJPASA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHPTHJRGGLHBL-QUOGVQPDSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOMBGDHYJAELG-XMJUXVDFSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJQPVDBUJDBNX-QYMKNGPYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVLIYOBRPUSFFX-ACVSEINWSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLBKHJZDZFNAM-OFXOIJPASA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOAUOUBJRZKDGR-YBQSWKSMSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCn2cc(CCN3CCN(S(=O)(=O)c4ccc(NC(=O)NCc5cccnc5)cc4)CC3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJKJHCLSCQUOK-TZYAYNJLSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCn2cc(CCN3CCN(S(=O)(=O)c4ccc(NC(=O)NCc5cccnc5)cc4)CC3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHLYGKNZIUCQMF-YPVOJFEDSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCn2cc(CCN3CCN(S(=O)(=O)c4ccc(NC(=O)NCc5cccnc5)cc4)CC3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPXNGQMBEYFGAO-ZLVPICEKSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCn2cc(CCN3CCN(S(=O)(=O)c4ccc(NC(=O)NCc5cccnc5)cc4)CC3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGKKCFYLKUUWSZ-YUNFSWSQSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCn2cc(CCN3CCN(S(=O)(=O)c4ccc(NC(=O)NCc5cccnc5)cc4)CC3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDVMTIVOGMTRU-OZYAUYAHSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cccnc4)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1586371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIADLWNDYLCGNO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(NC(=S)NCc2cccnc2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMLWVKZFQJDXFT-HTCPCUATSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCCNC(=O)c3ccc(cc3)C(=O)NCCCC[C@H](CN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@H](CC(C)C)CN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CCN)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)NC(=O)CN(S(=O)(=O)CCN)C[C@@H](CCCCN)NC(=O)CN(S(C)(=O)=O)C2)C[C@@H](CCCCN)NC(C)=O)cc1"]}
{"name": "E3 ubiquitin-protein ligase CHIP", "xref": ["CHEMBL.TARGET:CHEMBL5465258"], "id": "UniProtKB:Q9UNE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGBCLFGNNQRIPT-DRZDCGDWSA-N", "SMILES:COc1ccc(SN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@@H]2CCCCNC(=O)c3ccc(cc3)C(=O)NCCCC[C@H](CN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CCN)S(C)(=O)=O)S(C)(=O)=O)NC(=O)CN(S(C)(=O)=O)C[C@@H](CCCCN)NC(=O)CN(S(C)(=O)=O)C2)S(=O)(=O)CCN)S(C)(=O)=O)C[C@@H](CCCCN)NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHJWYVGUDOUEM-DRZDCGDWSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@H](CC(C)C)CN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@@H]2CCCCNC(=O)c3ccc(cc3)C(=O)NCCCC[C@H](CN(CC(N)=O)S(C)(=O)=O)NC(=O)CN(S(C)(=O)=O)C[C@@H](CCCCN)NC(=O)CN(S(C)(=O)=O)C2)S(C)(=O)=O)S(=O)(=O)CCN)S(=O)(=O)CCN)S(C)(=O)=O)C[C@@H](CCCCN)NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSITYJSVDKLZLR-JPMWLBKDSA-N", "SMILES:C=S(C)(=O)N1CC(=O)N[C@@H](CN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CCN)S(C)(=O)=O)S(C)(=O)=O)CCCCNC(=O)c2ccc(cc2)C(=O)NCCCC[C@@H](NC(=O)CN(C[C@@H](CCCCN)NC(=O)CN(C[C@@H](CCCCN)NC(=O)CN(C[C@@H](CCCCN)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Cc3cc(O)ccc32)S(=O)(=O)c2ccc(OC)cc2)S(C)(=O)=O)S(=O)(=O)CCN)CN(S(C)(=O)=O)CC(=O)N[C@H](CCCCN)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHSHWNSIVPNUBX-SJBAGMKGSA-N", "SMILES:C=S(C)(=O)N(CC(=O)N[C@H](CC(C)C)CN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CCN)S(C)(=O)=O)S(=O)(=O)CC(C)C)C[C@@H](CCCCN)NC(=O)CN(C[C@H]1CCCCNC(=O)c2ccc(cc2)C(=O)NCCCC[C@@H](NC(=O)CN(C[C@@H](CCCCN)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Cc3cc(O)ccc32)S(=O)(=O)c2ccc(OC)cc2)CN(S(C)(=O)=O)CC(=O)N[C@H](CCCCN)CN(S(=O)(=O)CCN)CC(=O)N1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDPBTSCHVDILV-JOCHJYFZSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ncc4c3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCASKZORZPWSEQ-JOCHJYFZSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4cn[nH]c4c3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEUMVCXPLBAASQ-HSZRJFAPSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3cccc4[nH]ccc34)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMXMPZOXHCWGJ-HSZRJFAPSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ccc4c3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGXQMKELQOFGN-HXUWFJFHSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRMEUSDGNVQDG-DYESRHJHSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSZNCLFSXSCBE-DYESRHJHSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](O)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLKWUVAMXJUOAR-HXUWFJFHSA-N", "SMILES:COc1ccc(C2(C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMYCCVVLNPSHC-OXQOHEQNSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGUMABWCEIISFK-RDTXWAMCSA-N", "SMILES:COc1ccc(C(C)(C)C(=O)N2C[C@H](F)C[C@@H]2C(=O)Nc2ccc3[nH]ncc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURGXTFEXLEVEN-RDTXWAMCSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CC(F)(F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKDTCZSOLMOMQ-OXQOHEQNSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVOJLAOIQUZUQF-OXQOHEQNSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CC(C)(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSXIRMYLOUTLS-OXQOHEQNSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEHKCAQWBIRAX-VQIMIIECSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEWWRZSPXHLHF-YLJYHZDGSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2n1)[C@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(C(=O)C(F)(F)F)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMHJCCMASLPPP-OXQOHEQNSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2n1)[C@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(O)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRIAIJGGTLNYII-DNVCBOLYSA-N", "SMILES:COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFEKXQUEHFRBOH-AUUYWEPGSA-N", "SMILES:COc1c(F)cc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLSHHDKIOPEIU-OXQOHEQNSA-N", "SMILES:CS(=O)(=O)c1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBTZOOKFDQBYSH-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQQHYQEKBFWAG-SFHVURJKSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)c5ccccc5)[C@@H](C)C4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQUDJJVPLTAIG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccccc4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNNSBOSDPDDTOD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1NC(=O)c1cc2nccc(-c3ccc(OC)c(OC)c3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNHWBOWCXGXGGD-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKOHBUUCRADLQD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJRYTPNAVBLXIW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(OCCN5CCOCC5)cc4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLQWHCFHFWYZIN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(N5CCOCC5)cc4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQUVXYNNPZMFC-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CNC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWLDBZDMRYTNDK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)NCc4ccc(N5CCOCC5)cc4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBVQEYVZLCGJF-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZCPXJNHNVHSNF-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGKCXRMQKIHNF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)O)cc4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDMKLRKPUUHDSP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)O)cc4F)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYMHSRLYALBOD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWWYHMHAQIPOIE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQJDFMMFUOYOT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWMQLIMYQWDKPV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)N5CCNCC5)cc4)nn23)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWZFCPBGLMABPU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)NCCN)cc4)nn23)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFLIZALWCDRJMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)nn23)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOWYMYUCPHXSPF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)NC4CCCCC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIWLTXHXTSXIFQ-FZNQNYSPSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N[C@H]4CC[C@@H](C(=O)OC)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIWLTXHXTSXIFQ-KOMQPUFPSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N[C@H]4CC[C@H](C(=O)OC)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWOYSRXTCFVGW-UHFFFAOYSA-N", "SMILES:COC(=O)C12CC(NC(=O)c3cc4nccc(-c5ccc(OC)c(OC)c5)n4n3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBUQETCUEFIUEH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CC(NC(=O)OC(C)(C)C)C4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKIGPRQDYHUBNZ-MRXNPFEDSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CC[C@@H](NC(=O)OC(C)(C)C)C4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELICMPOPRTRBV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCC(NC(=O)OC(C)(C)C)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSUSWJVBQSZBDO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHNDPTNLCMKPSV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(c5ccccc5)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXSIHKLUARHEGD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNYINGKBBWILI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(C)C)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSUVSKFKVGQFLA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C5CC5)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJKWYHWRJDFHCD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)C5CC5)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPYLCIGAZHDDBN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCNCC4)nn23)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZXWKHTLJJWDV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(Cc5ccccc5)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKVDAQSSTPPMDU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)c5ccccc5)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRLSNAJCEUCQKW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)c5ccccc5)C(C)(C)C4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQQHYQEKBFWAG-GOSISDBHSA-N", "SMILES:COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)c5ccccc5)[C@H](C)C4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDQIGJPJINCWDK-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cc(C#CCCNC(=O)CN3CCN(c4ccc(Nc5ncc6c(C)c(C(C)=O)c(=O)n(C7CCCC7)c6n5)nc4)CC3)c3c(Cl)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVNFJHOCKNBEQ-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cc(C#CCCn3cc(C(=O)N4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)nn3)c3c(Cl)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSAXVERDPZMCPX-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cc(C#CCCn3cc(CNC(=O)CN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)nn3)c3c(Cl)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMHVIBANXHYOML-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cc(C#CCCn3cc(C(=O)NCCNC(=O)CN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)nn3)c3c(Cl)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYMIFLEQNLBRM-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cc(C#CCCn3cc(C(=O)NCCOCCNC(=O)CN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)nn3)c3c(Cl)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMDLSPLPVDIPIB-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cc(C#CCCn3cc(C(=O)NCCOCCOCNC(=O)CN4CCN(c5ccc(Nc6ncc7c(C)c(C(C)=O)c(=O)n(C8CCCC8)c7n6)nc5)CC4)nn3)c3c(Cl)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPSOKZAIFFMLK-LBPRGKRZSA-N", "SMILES:C[C@@H](CN1CC(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USWFYVYRTUSELB-LSLKUGRBSA-N", "SMILES:C[C@@H](CN1CCC(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMLHDXRFHIHSIB-UHFFFAOYSA-N", "SMILES:O=C(C1CN(CCNc2cn[nH]c(=O)c2C(F)(F)F)C1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTIDRDQIASZTR-ZDUSSCGKSA-N", "SMILES:C[C@@H](CN1CC(C(=O)N2CCN(c3ncc(C#N)cn3)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVZINCZZESXYSL-AWEZNQCLSA-N", "SMILES:Cc1cnc(N2CCN(C(=O)C3CN(C[C@H](C)Nc4cn[nH]c(=O)c4C(F)(F)F)C3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLHJBCCTETVGHF-LBPRGKRZSA-N", "SMILES:C[C@@H](CN1CC(C(=O)N2CCN(c3ncc(Cl)cn3)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXJPNNGTKRMYKQ-LBPRGKRZSA-N", "SMILES:C[C@@H](CN1CC(C(=O)N2CCN(c3ncc(Br)cn3)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYELVFYTHNONRA-ZDUSSCGKSA-N", "SMILES:C[C@@H](CN1CC(C(=O)N2CCN(c3ncc(S(C)(=O)=O)cn3)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEDFGAEPDIGAN-ZDUSSCGKSA-N", "SMILES:COc1cnc(N2CCN(C(=O)C3CN(C[C@H](C)Nc4cn[nH]c(=O)c4C(F)(F)F)C3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSMBDMQQEAAGKS-ZDUSSCGKSA-N", "SMILES:C[C@@H](CN1CC(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVJOQWLPHHRCA-ZDUSSCGKSA-N", "SMILES:C[C@@H](CN1CC(C(=O)N2CCN(c3ccc4c(c3)OC(F)(F)O4)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGFXFZTALPASX-LBPRGKRZSA-N", "SMILES:C[C@@H](CN1CC(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKLTKKPNALIEB-INIZCTEOSA-N", "SMILES:C[C@@H](CN1CC(C(=O)N2CCN(c3ncc(-c4ccc(C(F)(F)F)cc4)cn3)CC2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYYSQLHDVSYRGC-JTQLQIEISA-N", "SMILES:C[C@@H](CN1CC(C(=O)NC2CN(c3ncc(C(F)(F)F)cn3)C2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZOJPPNFGEFMU-HSBZDZAISA-N", "SMILES:CC1CN(c2ncc(C(F)(F)F)cn2)CC(C)N1C(=O)C1CN(C[C@H](C)Nc2cn[nH]c(=O)c2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDUUIKOZHNFOF-QGLTVNCISA-N", "SMILES:C[C@@H](CN1CC(C(=O)N2C3CC2CN(c2ncc(C(F)(F)F)cn2)C3)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"name": "Protein mono-ADP-ribosyltransferase TIPARP", "xref": ["CHEMBL.TARGET:CHEMBL5465543"], "id": "UniProtKB:Q8C1B2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMMNQCWGZRQTN-XVRWHRFDSA-N", "SMILES:CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1097107", "category": ["biolink:ChemicalEntity"], "name": "WITHANOLIDE E", "xref": ["InChIKey:RUVPNJSJTWTANE-LFCBYZEKSA-N", "SMILES:CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3605564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHQRULWHKEQHE-GRVQADPTSA-N", "SMILES:CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3605560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFDSCBNQKZOCJH-GRVQADPTSA-N", "SMILES:CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4C=CCC(=O)[C@@]43C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBGJWXZCVEGPE-GBIZBUSJSA-N", "SMILES:CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMMNQCWGZRQTN-HBLJOAJLSA-N", "SMILES:CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45CC=CC(=O)[C@]35C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4074906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUTVFNRARULPEX-MPJLGPATSA-N", "SMILES:CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@]1(O)[C@@H](OC(C)=O)C[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5412959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTFNLMVIRZWTA-LFCBYZEKSA-N", "SMILES:CC1=C(CO)C[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4082632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMVDZBEQUQDAZ-XVRWHRFDSA-N", "SMILES:CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CCCC(=O)[C@]35C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KABPCFNSSWBNDD-PJZIFHIWSA-N", "SMILES:CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CCCC(=O)[C@]35C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1C[C@@H](C)[C@@H](C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUQPAAUFONWYPW-NRFANRHFSA-N", "SMILES:COc1cc2c(cc1CN[C@@H](CO)C(=O)O)C(=O)N(c1cccc(-c3ccccc3)c1C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBXUYNEPKDZAE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cnc(NCc2ccco2)n2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGIQGNBLAEVSJ-UHFFFAOYSA-N", "SMILES:c1coc(CNc2ncc(-c3ccc4[nH]ccc4c3)c3nccn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAKFPUQIUWMCA-UHFFFAOYSA-N", "SMILES:c1coc(CNc2ncc(-c3ccc4[nH]ccc4c3)c3nncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQWNPULCFPIMDR-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(-c3cnc(NCc4ccco4)n4cnnc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRRYKMOMCYYHJN-UHFFFAOYSA-N", "SMILES:CCn1ccc2cc(-c3cnc(NCc4ccco4)n4cnnc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEBICJSYKMRQM-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc2cc(-c3cnc(NCc4ccco4)n4cnnc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNAINRBUVSUAC-UHFFFAOYSA-N", "SMILES:c1coc(CNc2ncc(-c3ccc4c(ccn4C4CC4)c3)c3nncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBAZHQMFWEDSP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2ccc3cc(-c4cnc(NCc5ccco5)n5cnnc45)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQTAXGRFXMJPGW-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2ccc3cc(-c4cnc(NCc5ccco5)n5cnnc45)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBAYQHUPKINSKU-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2ccc3cc(-c4cnc(NCc5ccco5)n5cnnc45)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKQCXEZKUYYLNE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Cn2ccc3cc(-c4cnc(NCc5ccco5)n5cnnc45)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNLQHKRQXVSCFP-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2ccc3cc(-c4cnc(NCc5ccco5)n5cnnc45)ccc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVALQZZJYHJXRT-UHFFFAOYSA-N", "SMILES:Fc1cccc(Cn2ccc3cc(-c4cnc(NCc5ccco5)n5cnnc45)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFWAAMHVBTDEX-UHFFFAOYSA-N", "SMILES:c1ccc(-n2ccc3cc(-c4cnc(NCc5ccco5)n5cnnc45)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSKRPMNBPREPT-UHFFFAOYSA-N", "SMILES:c1coc(CNc2ncc(-c3ccc4c(ccn4C4CCCCC4)c3)c3nncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZRENAZVFJVPG-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ccc(-c3cnc(NCc4ccco4)n4cnnc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAWIQZAFLULXSW-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2ccc(-c3cnc(NCc4ccco4)n4cnnc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJXTFFQBUZUBH-UHFFFAOYSA-N", "SMILES:c1coc(CNc2ncc(-c3c[nH]c4ccccc34)c3nncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYCWDWYJFGKHGR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc(NCc3ccco3)n3cnnc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUPDOUQWHYGBCZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(C)c(-c3cnc(NCc4ccco4)n4cnnc34)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHMWTLQGUZKNNY-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(-c3cnc(NCc4ccco4)n4cnnc34)c3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEIHDPACDIVPJR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(-c1cnc(NCc3ccco3)n3cnnc13)cn2S(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGMXKEUXUFMDHG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(-c3cnc(NCc4ccco4)n4cnnc34)c3cc(C)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSINRKXLVPEIG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)n1c(-c2cnc(NCc3ccco3)n3cnnc23)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKBULFMMQAMMF-UHFFFAOYSA-N", "SMILES:c1coc(CNc2ncc(-c3cc4ccccc4[nH]3)c3nncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEZMFYPPEXOVKY-UHFFFAOYSA-N", "SMILES:c1coc(CNc2ncc(-c3cccc4[nH]ccc34)c3nncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAIUIGWHRKAIL-UHFFFAOYSA-N", "SMILES:c1coc(CNc2ncc(-c3ccc4cc[nH]c4c3)c3nncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIEWQHLMHMLRBF-UHFFFAOYSA-N", "SMILES:c1coc(CNc2ncc(-c3cccc4cc[nH]c34)c3nncn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZFRMLBXFMBQY-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc2cccc(-c3cnc(NCc4ccco4)n4cnnc34)c21"]}
{"name": "mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL5465357"], "id": "UniProtKB:Q9H4Z3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFFXOITNQAVLG-RVDMUPIBSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMECTWTXWAJAOH-QGOAFFKASA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2cccc3ccccc23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROCNBGIMHZQIC-XDHOZWIPSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc3ccccc3c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COADEXYYPUCLJA-LFIBNONCSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccccc2C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEEGLLXLZGOWJK-LFIBNONCSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBZNEJHGBRUMZ-RVDMUPIBSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccccc2OC)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOQXHMPUSQNADT-XNTDXEJSSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2cccc(OC)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJPEVIHJCKTGX-RVDMUPIBSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc(OC)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMJOOYNOEBZECR-GXDHUFHOSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMZZHUIIDATKFH-GXDHUFHOSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTDQWZBJKRDNL-UKTHLTGXSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKQPVFEXAOCOG-GXDHUFHOSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc(Br)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXEKVEIWVKKARW-GXDHUFHOSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccccn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPQKPKUDTOROME-OQLLNIDSSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc(C)cn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDACVNULBHFBS-MDWZMJQESA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc(Br)cn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVTNTFXWYMFPMF-NTEUORMPSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2cccnc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIEGUEKHAYTXLU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2048484", "category": ["biolink:ChemicalEntity"], "name": "CANAGLIFLOZIN ANHYDROUS", "xref": ["InChIKey:XTNGUQKDFGDXSJ-ZXGKGEBGSA-N", "SMILES:Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1"], "synonym": ["Canagliflozin anhydrous", "JNJ-28431754", "TA-7284"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5439263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVAPSUXGJLRODY-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFFCQLHVQDBQGQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHDHTEIXDCVGBE-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJCWFGFCORRMT-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCC(CCO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTBKKRKJXSWTFM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHAMDMFVOLWFT-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMAKPJNWEANMFI-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UECUCZGTICHXRV-UHFFFAOYSA-N", "SMILES:COCCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDWKUOSUHEGTH-UHFFFAOYSA-N", "SMILES:O=C(O)CNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMMLPXKXLBZRMQ-UHFFFAOYSA-N", "SMILES:CN(C)CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZYKQQFBTOKZBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDNVYMYSHHBCT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSNUUXTZCFAHRG-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)Nc2cccc(CO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASKMCHNHPHCGEC-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)Nc2cccc(CCO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFHRHFYCYAPCRW-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRFZYVJWXMCSU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(NS(=O)(=O)c3ccc(C(=O)Nc4nc(-c5ccccc5)cs4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNPJVTOASDCNDW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOJBSJWCCDBLL-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGRWXQRIASLEF-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNDLYLICQSVAIR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBVIRPJBDIZKBC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)c2ccco2)c(SC#N)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYAJNZVJASVSQ-QGZVFWFLSA-N", "SMILES:Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)O)cc3)n(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4545772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRRVTYANBMUOQB-GOSISDBHSA-N", "SMILES:COC(=O)CS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXASYVSWZLZNLU-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4F)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBFPXOEGYVCCD-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUAMLKVINZWIJR-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccc(F)c4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTFIMJUQHVSKLM-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccc(C)c4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQWSONFQGZROS-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)Nc4cccc(C(C)=O)c4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXVPVRBKKKWCS-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BATUEDKEUWSILK-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4F)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFNCMAGSVXCDJW-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODROMBMUKOOJH-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(-c4ccccc4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKIYYWMQDASJGS-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFHPCSKYOLEMN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4C)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJOSCJMMFKIHMZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4O)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHPPXIPRLTXLN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAEMIRYTNMVVCM-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccc(Br)c4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLHQLMMUPDEOET-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUBTHGUTNHFHO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLZQKVGGAKBJOY-LRTWADEBSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1CC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZHWHPRZYNZSE-XXMMZBMASA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1CC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLFNGKZSBVKHI-XXMMZBMASA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1CC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNWSNDYODYMMSH-IXTKIZILSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1CC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKMQEXIBBMJLW-IXTKIZILSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1CC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYRYBDDOIPDIG-YUCOWNEHSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)NCCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBVPNSUAROFRU-AIGSBURYSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)NCCCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKWNBCRJJDVNF-OOFVGKLQSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)NCCCCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVXZGSSHGFLSMF-LEQFIKLCSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)NCCCCCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRRXPFUJFHHGA-OOFVGKLQSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)NCCCCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNMBQUIJYLNNSV-MFFSMZPXSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)NCCCCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CNCCN1C(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZYFAYMHSXTEW-SCQDXXRUSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)NCCCCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGNDAOPHPLHFW-PVNIVXITSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](N)CN1C(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1)C(=O)O)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)NCCCCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBKWBGSLOANRHJ-ZLESDFJESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1)C(=O)O)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)NCCCCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBCVSFYNGMEBAH-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)c1ccc2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQAIFEYGULWZQU-UHFFFAOYSA-N", "SMILES:O=C(NCCCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)c1ccc2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZYDVHBZZIWIT-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)c1ccc2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGHBNLCYTYSIJV-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)c1ccc2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYDMAMASJIELP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)cc1)c1ccc2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZIYLKDWSGVRDT-UHFFFAOYSA-N", "SMILES:O=C(NCCCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDVXQQZLHVEQZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCLKUCIQBODFID-UHFFFAOYSA-N", "SMILES:O=C(CCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)Nc1ccc(CNC(=O)c2ccc3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCJIBHGXYARNKJ-UHFFFAOYSA-N", "SMILES:O=C(CCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)Nc1ccc(CNC(=O)c2ccc3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSMJDMVIEKFZNH-UHFFFAOYSA-N", "SMILES:O=C(CCCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)Nc1ccc(CNC(=O)c2ccc3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDKMQCYTRHYFU-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFQMLLRPXHJGS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(Cl)cc5)cn4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISDOFUFPIRYCO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(F)cc5F)cn4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPXFDWXHHHMOAM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYLEPIYQKZIHM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(F)cc5)cn4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQJZWSROVWLUTG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(C(N)=O)cc5)cn4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMSUVLOUUEACH-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cnc(N2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVCWHRRWQSKSD-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnc(N2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4296925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRBVAEOOKCYONQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFURDBGMRKOTL-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYAUSTLAUXOBIN-UHFFFAOYSA-N", "SMILES:Cc1ccc2sc3nncn3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRASIOLBYQWYHP-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEXQUOXCDFXOR-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOAOVHICBFQFY-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2c(c1)sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBTRVOWZNDAHAF-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSXXJJFPJYFCPT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTSFLKENLTGPR-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c2c1sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEDGPCZYTWHFKH-UHFFFAOYSA-N", "SMILES:COc1ccc2sc3nncn3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBZWNZIFSFRMTM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZBYHNTJJLBRO-UHFFFAOYSA-N", "SMILES:COc1cccc2sc3nncn3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBQQSCMGFVXHL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYOYUCDARFHOGX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2sc3nncn3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWIXTZQBCXYDRG-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVYQRDLMDKKRZ-UHFFFAOYSA-N", "SMILES:Oc1cccc2c1sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQAMGVVQVZCTNJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(O)c2c1sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKXNKMALIYTLJE-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)sc1nnc(N)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2136900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVDUURBUNARXDM-UHFFFAOYSA-N", "SMILES:CSc1nnc2sc3cc(C)ccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLWQEIWZCABJP-NVMNQCDNSA-N", "SMILES:Cc1ccc2c(c1)sc1nnc(/N=C\\c3ccc(Cl)cc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCQFIIRQDQNCL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)sc1nnc(NCc3ccc(Cl)cc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIGFTQNOPPPWDS-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1sc1nnc(S)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSNNMBVVDWKKCB-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1sc1nnc(N)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USKSRROUIHCFBI-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1sc1nnc(SC)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGNPEMNTGYOWBT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1sc1nnc(NC(=O)c3ccc(Cl)cc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRXHBPVWNMPQAK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1sc1nnc(NC(=O)C(C)(C)C)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYOIOFGXAAHNR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1sc1nnc(NC(C)=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVHDQOKUJLVCM-UHFFFAOYSA-N", "SMILES:COc1cccc2c1sc1nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFJZWIJMDJOBU-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)sc1nnc(O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCWBLPFJAQSMI-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)sc1nnc(S)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3740897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWGMIELHSCQGOG-ZDUSSCGKSA-N", "SMILES:C[C@H]1Cn2c(nnc2C(C)(F)F)CN1C(=O)c1cccc(C(F)(F)c2n[nH]c(=O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILNHWLARMYWOR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cn[nH]c2)nc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRQGJUIFWPGNDT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cn[nH]c2)nc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XESMMJYQVOUQGW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cn[nH]c2)nc1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSWCOMEGRNNFJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cn[nH]c2)nc1-c1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEXVDDMBUKUTIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cn[nH]c2)nc1-c1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLHIBBZNXAOBF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cn[nH]c2)nc1-c1ccc2nonc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAESFVISLSZMQD-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2nc(Cc3cn[nH]c3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRRWNLBVJDOMN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cc3cn[nH]c3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSVMOANJZMIFJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cn[nH]c2)nc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMSADIPBCAXJKY-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cn[nH]c2)nc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJISPGUDWVZKCK-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cn[nH]c2)nc1-c1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDSXNYSLVVYQM-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cn[nH]c2)nc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCFTUIWRAGXVOR-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cn[nH]c2)nc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOMNXPLVIORSG-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cn[nH]c2)nc1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVRLJHRHJORJJ-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2nc(Nc3cn[nH]c3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGDNYXVRSVTMG-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2nc(Oc3cn[nH]c3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSZOCKNHFMYCPA-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(C(=O)c3cn[nH]c3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBYDGHHZOHLDKT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cccn2)nc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVHWNDBYUTOIT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cnn(C)c2)nc1-c1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JELILXPZOIJHEV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccnc2)nc1-c1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPFQZMMWJITAAL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cnnn2)nc1-c1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLBIDCRXVNLBNQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cn3cccn3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFNISWDYLUKVCD-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cc3ccncc3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTBMPQLAKFFMGN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cc3cccnc3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXKCKNFZCBDHB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cc3cncnc3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPARXJQGFCTRSP-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(CNc3cn[nH]c3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKUVQBHHHBWVGG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cc3cnn(C)c3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOFQFVZFWOTEIP-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cn3ccnc3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNWXARIAZVAJM-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cn3cnnn3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZENDRHFEHRDHO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cc3cn[nH]c3)ccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAAAVDAWMJWMBE-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccncc2)nc1-c1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUOZSKSYLQIBH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2nc(Cc3cn[nH]c3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDSHIZIXMQUST-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2nc(Cn3ccnc3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVRZLCAHXKBEN-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2nc(Cn3ccnc3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDXWNSRSCYTCR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Cc3ccc(CCO)cc3)ccc2OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHDKCIKFPMKDX-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(Cc2cn[nH]c2)nc1-c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIIHPENMHDOFRK-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(Cc2ccncc2)nc1-c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWRJSZMMZFNKY-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(Cn2ccnc2)nc1-c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLBPIKWQKSPNY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cn[nH]c2)nc1-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5222957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLDVMKSXURTJL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccncc2)nc1-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGSJTRKFMSQMR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2ccncc2)nc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYSSLXBQIIMNV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cnn(C)c2)nc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL484156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDDUSFPICWDPV-KLMMPHRKSA-N", "SMILES:COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2346855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVVXAODXPVWGMF-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFXGWDPDCGTVDA-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2noc(CN(C(=O)COc3ccc(Br)cc3)C(C)C)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSWPXLAIPHFLB-FQEVSTJZSA-N", "SMILES:CC(C)(C)NC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUWDWPKCJZHJU-NRFANRHFSA-N", "SMILES:CC(C)(C)NC(=O)CC[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPEGTILDHVQISR-IBGZPJMESA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCc2cccc(B(O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPYOURWEGLGDZ-SFHVURJKSA-N", "SMILES:CC(C)(C)NC(=O)C[C@H](NC(=O)C(=O)c1ccccc1)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCYMHNPXMFJGL-NRFANRHFSA-N", "SMILES:CC(C)(C)NC(=O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPROGKAXCOXBT-FQEVSTJZSA-N", "SMILES:CC(C)(C)NC(=O)C[C@H](NC(=O)CCc1ccc(F)cc1)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGIWGEGLPPSRFW-SFHVURJKSA-N", "SMILES:CC(C)(C)NC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDSNVIXJVWZBN-INIZCTEOSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCc2ccc(B(O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMFUGGDIIZFJK-SFHVURJKSA-N", "SMILES:COC[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZDVAEWMMXRQML-SFHVURJKSA-N", "SMILES:CC(C)(C)NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTORTLWQXJEIBY-QHCPKHFHSA-N", "SMILES:CC(C)(C)NC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)ccn1)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIWKIPODVMXISU-HNNXBMFYSA-N", "SMILES:Cc1cc(C(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCc2cccc(B(O)O)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGBONDZQWPRIGF-HNNXBMFYSA-N", "SMILES:CC(C)(C)NC(=O)C[C@H](NC(=O)C(=O)C1CC1)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQXBNSPOWSONB-SANMLTNESA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c2cc(-c3ccccc3F)ccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXQBGQANHHFUKA-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NS(=O)(=O)c2cccc(C)c2)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URZMDHMOLIPBIX-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc2c(c1)c(Cc1ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc1OC)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNGIJIZQAHLDGP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(NCCCCCC(=O)NO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OABQDWQBXSGEDG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(NCCCCCCC(=O)NO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUXWMZIYXYZST-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(NCCCCCCCC(=O)NO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSAIVFLHIROCW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(Nc3ccc(C(=O)NO)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTHCKXXFWSWWKK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(NCCCCCC(=O)NO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHJOJVLBZYUYGS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(NCCCCCCC(=O)NO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPTKJTVPMGPUGF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(NCCCCCCCC(=O)NO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHTBXJPZTSEOCA-JXMROGBWSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3ccc(/C=C/C(=O)NO)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNLIEWKEYJERV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3ccc(C(=O)NO)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISGPICKPRZKQFO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(NCc3ccc(C(=O)NO)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLLMOAHCFCJLEW-JLHYYAGUSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(NCCCCCC(=O)Nc3ccc(/C=C/C(=O)NO)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCKOUVRBFUQRTE-SDNWHVSQSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(NCCCCCC(=O)Nc3ccc(/C=C/C(=O)NO)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPAZSSWODHMEJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(NCCCCCC(=O)Nc3ccc(C(=O)NO)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIYPVUCBRQNICX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C4CC4)nn3C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPFQUQSOCFBAM-RMKNXTFCSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(Nc3ccc(/C=C/C(=O)NO)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTCJBNJCHYEEHZ-DZGCQCFKSA-N", "SMILES:CC1(C)CCC[C@](O)(C(F)(F)F)[C@H]1Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAUSPLMRLISGMX-DZGCQCFKSA-N", "SMILES:CC1(C)CCC[C@](O)(C(F)(F)F)[C@H]1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTZJMYCMNMRQMT-UHFFFAOYSA-N", "SMILES:CC1(C)CCCC(O)(C(F)(F)F)C1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDPMUKHSHJUMB-UHFFFAOYSA-N", "SMILES:CC1(C)CCCC(O)(C(F)(F)F)C1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZFDVGJMBLEGQ-UHFFFAOYSA-N", "SMILES:CC1(C)CCCC(O)(C(F)(F)F)C1Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOTLDNAVQQZBGX-UHFFFAOYSA-N", "SMILES:CC1(C)CCCC(O)(C(F)(F)F)C1Cc1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXACHAYJFVKEGM-YPMHNXCESA-N", "SMILES:O[C@@]1(C(F)(F)F)CCCC[C@@H]1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKFVRPSMUPBSU-GXSJLCMTSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Cc1csc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRQGUJBYQSAYQR-CMPLNLGQSA-N", "SMILES:N#Cc1cc(C[C@@H]2CCCC[C@]2(O)C(F)(F)F)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTYAOFNADKROF-CMPLNLGQSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Cc1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGEXZZTTYULMGE-NWDGAFQWSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIAKYVGVKDIRP-SWLSCSKDSA-N", "SMILES:OC(F)(F)[C@@]1(O)CCCC[C@H]1Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYFMGSXOKNAJZ-VXGBXAGGSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Oc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFMAMFQRUUJFC-CHWSQXEVSA-N", "SMILES:CN(c1ccc(F)cc1)[C@@H]1CCCC[C@]1(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMNDHOHVKPZQCS-HUUCEWRRSA-N", "SMILES:COCCN(c1ccc(F)cc1)[C@@H]1CCCC[C@]1(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCKDABRNCXXPNF-VXGBXAGGSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZZBCIPYXNJCK-ZIAGYGMSSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1N1CCc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDLRKEDIAZMXFA-DGCLKSJQSA-N", "SMILES:O=C(N[C@@H]1CCCC[C@]1(O)C(F)(F)F)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BANGFDNCERQQIE-CHWSQXEVSA-N", "SMILES:CN([C@@H]1CCCC[C@]1(O)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRIVVUNKOLQTE-VXGBXAGGSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APBUNKVHHWMAAH-CHWSQXEVSA-N", "SMILES:N#Cc1ccc(N[C@@H]2CCCC[C@]2(O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADPNBLFAHYYBS-VXGBXAGGSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLPTRCPCBWBQJ-MWLCHTKSSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCSCTJKEBOGQEI-VXGBXAGGSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULQKHUFRRFOYGH-VXGBXAGGSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GINMVHRTUVVUGZ-VXGBXAGGSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFZUNSYFRTUGN-OIBJUYFYSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Cc1ncc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJSNCWPZMUIPG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC2C(C)(C)CCCC2(O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLNSDZHQQBHXMR-UHFFFAOYSA-N", "SMILES:CC1(C)CCCC(O)(C(F)(F)F)C1Cc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAHAKPRBUNPURW-CMPLNLGQSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Cc1cncc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJCDMKPFUPJSKB-JOYOIKCWSA-N", "SMILES:O[C@]1(C(F)(F)F)CCCC[C@H]1Cc1ccc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWYKVNCEXVVNTP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC2CCCCC2(O)C(F)(F)F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJUMGXLZSHPUNN-NQZBTDCJSA-N", "SMILES:C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C#N)N1Sc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFIEIXVSJMOQL-UHFFFAOYSA-N", "SMILES:Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSUGPAVXOXLORK-JOCHJYFZSA-N", "SMILES:Cc1cccc(N2CCN(C(=O)N[C@H](C(=O)c3ccc(C#N)cc3)C(C)(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UATIZTLPJAFMBY-UHFFFAOYSA-N", "SMILES:C#CC(CC)(CC)NC(=O)c1cccnc1NC1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTIPHKVCXUYRM-UHFFFAOYSA-N", "SMILES:O=C(NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBOOIDXACFGEI-OAHLLOKOSA-N", "SMILES:COCCCOc1cccc([C@H]2NC(=S)Nc3c2oc2ncccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKEGRPVOXGQXBX-UHFFFAOYSA-N", "SMILES:O=c1c2[nH]cnc2ncn1Cc1nc(CCc2ccc(Cl)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYFKLAFILPDHPW-JSGCOSHPSA-N", "SMILES:C[C@@H](C(=O)Nc1ccnc(-c2cnc(N3CCC[C@H]3C(F)(F)F)nc2)n1)n1cnc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPMVFNBFICPDB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)csc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKXEKPMZIZYLD-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)nc(C2CC2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWLPNEAIQATTGD-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(CNc2nc(OCCCc3ccc4ccccc4n3)nc(Cl)c2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3665949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYBJKHIYOZLEC-CABCVRRESA-N", "SMILES:Cc1c(Cl)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1NCc1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3695713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLPZTDCVMOWRPZ-CVEARBPZSA-N", "SMILES:Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEIRVHDVALFYDP-CABCVRRESA-N", "SMILES:Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3cccnc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWZXBBCMVOLFBF-CVEARBPZSA-N", "SMILES:Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTYRVOIMKYXAM-CVEARBPZSA-N", "SMILES:Cc1c(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccccn2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZSMLJKZSPIOG-CVEARBPZSA-N", "SMILES:Cc1c(Cl)cc(OC[C@H]2C[C@@H]2c2ccccn2)nc1NCc1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SALFJFUEXKSJGJ-SJORKVTESA-N", "SMILES:Cc1cnc(OC[C@H]2C[C@@H]2c2ccccn2)cc1NCc1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHFLCXVEXDJEN-MJGOQNOKSA-N", "SMILES:Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMTYTQARUTXPM-AEFFLSMTSA-N", "SMILES:Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ncccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWSAZADVFJSUHY-SJORKVTESA-N", "SMILES:Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHYZRBFHLPPBBT-AEFFLSMTSA-N", "SMILES:Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3cnccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPNFBHCTTVLHJ-SJORKVTESA-N", "SMILES:Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccncc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDGPBCFXEZRSGN-WBVHZDCISA-N", "SMILES:COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)nc(C)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3659078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRMWBFAABMFGGZ-SJORKVTESA-N", "SMILES:Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)nc(C)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHBPYICGBRMKE-KGLIPLIRSA-N", "SMILES:Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFSZQSIDDLDOB-HIFRSBDPSA-N", "SMILES:COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)nc(C)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314924", "category": ["biolink:ChemicalEntity"], "name": "MK-8189", "xref": ["InChIKey:WQKPZDLZRFTMTI-CABCVRRESA-N", "SMILES:Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)nc(C)n2)nc1"], "synonym": ["Mk-8189", "MK8189"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAQNYHAYSKSLH-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAQNYHAYSKSLH-ZDUSSCGKSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHNFAACGAYJNG-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=S)Nc3ccc(F)cc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHNFAACGAYJNG-ZDUSSCGKSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=S)Nc3ccc(F)cc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURNFMSWOBQBQV-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=S)Nc3ccccc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURNFMSWOBQBQV-ZDUSSCGKSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=S)Nc3ccccc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDHNVOCAWONJTO-LLVKDONJSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDHNVOCAWONJTO-NSHDSACASA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCECPTHRURCVHN-LLVKDONJSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3F)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCECPTHRURCVHN-NSHDSACASA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3ccccc3F)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLLPDPQISYRJB-LLVKDONJSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3Cl)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLLPDPQISYRJB-NSHDSACASA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3ccccc3Cl)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQVZTZWBBZTHB-QGZVFWFLSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQVZTZWBBZTHB-KRWDZBQOSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZLZJWIFJUNZOL-LLVKDONJSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)c(Cl)c3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZLZJWIFJUNZOL-NSHDSACASA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3ccc(Cl)c(Cl)c3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZQLCCHUMZPNP-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCCO4)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZQLCCHUMZPNP-ZDUSSCGKSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3ccc4c(c3)OCCO4)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCAFGPFKLJWHV-GFCCVEGCSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCAFGPFKLJWHV-LBPRGKRZSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLHKJWOLFDCHM-QGZVFWFLSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLHKJWOLFDCHM-KRWDZBQOSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKDHHNQNIRYCTL-GFCCVEGCSA-N", "SMILES:COc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(S(N)(=O)=O)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKDHHNQNIRYCTL-LBPRGKRZSA-N", "SMILES:COc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(S(N)(=O)=O)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGLYTFYXKZEQKR-GFCCVEGCSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGLYTFYXKZEQKR-LBPRGKRZSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPLSTZDQOBCEK-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPLSTZDQOBCEK-ZDUSSCGKSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQZWEYDBHOBOL-LLVKDONJSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=S)Nc3ccccc3F)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQZWEYDBHOBOL-NSHDSACASA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=S)Nc3ccccc3F)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIFHTBRNDHDQRL-SNVBAGLBSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)Nc3c(F)cc(F)cc3Br)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIFHTBRNDHDQRL-JTQLQIEISA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)Nc3c(F)cc(F)cc3Br)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHXRFFVHOQKVOC-GFCCVEGCSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)NS(=O)(=O)c3ccccc3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOOXOCSAXINFV-LLVKDONJSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=O)NS(=O)(=O)c3ccccc3Cl)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOOXOCSAXINFV-NSHDSACASA-N", "SMILES:NS(=O)(=O)c1ccc(N2CC[C@H](NC(=O)NS(=O)(=O)c3ccccc3Cl)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGZPJORAZASRSN-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2CCN(c3ccccn3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCSMZVJPTHKUHN-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=S)N[C@@H]2CCN(c3ccccn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGISTPKBCRPMAL-GFCCVEGCSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2CCN(c3cccc([N+](=O)[O-])n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGISTPKBCRPMAL-LBPRGKRZSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=S)N[C@H]2CCN(c3cccc([N+](=O)[O-])n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCHMTPHYMJFNEW-GFCCVEGCSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=S)N[C@@H]2CCN(c3cccc([N+](=O)[O-])n3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCHMTPHYMJFNEW-LBPRGKRZSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=S)N[C@H]2CCN(c3cccc([N+](=O)[O-])n3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNBFLYFNRTBNB-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNBFLYFNRTBNB-ZDUSSCGKSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=S)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUJMIZEUWJICH-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=S)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUJMIZEUWJICH-ZDUSSCGKSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=S)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVVYBGKZHMLYNV-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOWQSNLJQVTEQN-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZQMARCGMVCRDN-GFCCVEGCSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc([N+](=O)[O-])n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZQMARCGMVCRDN-LBPRGKRZSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(c3cccc([N+](=O)[O-])n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCNVIQPHOCAGW-GFCCVEGCSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3cccc([N+](=O)[O-])n3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCNVIQPHOCAGW-LBPRGKRZSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCN(c3cccc([N+](=O)[O-])n3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXXEFWUHKQSJH-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXXEFWUHKQSJH-ZDUSSCGKSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNXQPQLHQMZIIO-CYBMUJFWSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNXQPQLHQMZIIO-ZDUSSCGKSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELHDTJJEQFRGH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cccc(S(=O)(=O)N3CCCC(c4cccc(OC(C)(C)C(=O)NS(=O)(=O)c5cccs5)c4)C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIAMXDPJRMMQZ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cccc(S(=O)(=O)N3CCCC(c4cccc(OC(C)(C)C(=O)NS(=O)(=O)c5ccc(C(F)(F)F)cc5)c4)C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIAMXDPJRMMQZ-SSEXGKCCSA-N", "SMILES:CC(C)c1ccc(-c2cccc(S(=O)(=O)N3CCC[C@@H](c4cccc(OC(C)(C)C(=O)NS(=O)(=O)c5ccc(C(F)(F)F)cc5)c4)C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIAMXDPJRMMQZ-PMERELPUSA-N", "SMILES:CC(C)c1ccc(-c2cccc(S(=O)(=O)N3CCC[C@H](c4cccc(OC(C)(C)C(=O)NS(=O)(=O)c5ccc(C(F)(F)F)cc5)c4)C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODZWNBRIWCZRQ-PMACEKPBSA-N", "SMILES:CC(=O)N[C@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@@H](C(=O)NCC(F)(F)F)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSDWMDGQRZNDD-KCHLEUMXSA-N", "SMILES:O=C(NCC(F)(F)F)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHUQGPIHRXRJDS-KCHLEUMXSA-N", "SMILES:O=C(NCC(F)(F)F)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCCCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKJJWKVXSWEVGP-QKDODKLFSA-N", "SMILES:O=C(NCC(F)(F)F)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCC(F)(F)CC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWNACCFSKNIAKQ-OHXOMFROSA-N", "SMILES:O=C(NCC(F)(F)F)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCC[C@@H](F)C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCPMSGWYISQGFU-QKDODKLFSA-N", "SMILES:O=C(NCC(F)(F)F)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCOC2=O)C(=O)N[C@@H](CCN2CCCCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTIMTWIPPQWTDF-CPCREDONSA-N", "SMILES:Cn1cc(CNC(=O)[C@@H]2Cc3cccc(c3)Oc3cccc(c3)C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCN3CCCCC3)C(=O)N2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUFEXSTVADNGY-CHQNGUEUSA-N", "SMILES:O=C(NCC1CC1)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCCCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENITOQSWPGNMQ-CHQNGUEUSA-N", "SMILES:CC1(CNC(=O)[C@@H]2Cc3cccc(c3)Oc3cccc(c3)C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCN3CCCCC3)C(=O)N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHKHWBDKVNMZJO-XRPWQCROSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCCCC2)C(=O)N1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMUPLPZZCOOBAH-CPCREDONSA-N", "SMILES:O=C(NC1CCCC1)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCCCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMSBXOQEPETDC-GRSCTDKTSA-N", "SMILES:O=C(NC12CC(C1)C2)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCCCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTBMEBXPDNVACK-DTXPUJKBSA-N", "SMILES:O=C(NCC1CC1)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCC2=O)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINUMUZFCZVWJP-CHQNGUEUSA-N", "SMILES:O=C(NC1CCCC1)[C@@H]1Cc2cccc(c2)Oc2cccc(c2)C[C@H](N2CCCS2(=O)=O)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZBYZXAWBIXXEI-CPCREDONSA-N", "SMILES:Cn1cc(CNC(=O)[C@@H]2Cc3cccc(c3)Oc3cccc(c3)C[C@H](N3CCCS3(=O)=O)C(=O)N[C@@H](CCN3CCCCC3)C(=O)N2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJBBVNPWCMAHSH-NSOVKSMOSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCFOVMPBUOISF-HNNXBMFYSA-N", "SMILES:CN1CCC[C@H](OC(=O)NC(C)(C)c2csc(-c3ccc(F)cc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSDGGRFWRJWSK-KRWDZBQOSA-N", "SMILES:CCCN1CCC[C@H](OC(=O)NC(C)(C)c2csc(-c3ccc(F)cc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXDPTQAUONEFGL-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)N[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHXFIEZRAIFSOR-SNVBAGLBSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(I)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIPTLQPSWHAOQ-LLVKDONJSA-N", "SMILES:CNc1nc(C(C)(C)NC(=O)O[C@@H]2CN3CCC2CC3)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPCSNLLGOAVHG-HXUWFJFHSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTBLCOYCMIBPHL-OAHLLOKOSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHZESVNFVUWPQ-OAHLLOKOSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGSSMHMVOQBFV-CQSZACIVSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccco2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDKTXFXWBWXCBP-CQSZACIVSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccoc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTMGWDTHKTTCU-CYBMUJFWSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STSHWXDLVLGWBP-CQSZACIVSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccsc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFGJCYXGJJXFIL-CQSZACIVSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRQBBKSXMYOWBB-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEOOGEXLFPUORU-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CITPENGBQDKNTB-QGZVFWFLSA-N", "SMILES:COc1ccc(-c2nc(C(C)(C)NC(=O)O[C@@H]3CN4CCC3CC4)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVEGNXCDMUFZBZ-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIFYDHQJUNCQR-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUSODDGNNWSWRH-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2cccc(N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCRDRVQAWZPFF-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKVENKUMHJDFC-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWWAKZMSTYZSF-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccccc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBPVUULNCOTKK-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(Cl)c(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRJXHGILPIXDQG-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)c(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZIRYVDQNUMTSS-MRXNPFEDSA-N", "SMILES:CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)cc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTDDWSYQKHDKA-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C)c4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJVAUMJKWWKTD-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQPGWBRHOSJHIJ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccncc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDXOKFHAUGCNH-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccnc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTRSHJPFQQPOGW-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCc4ncccn4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXQUJVROAIFKE-UHFFFAOYSA-O", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCc4cc[n+](C)cc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLCYONWUADPCG-UHFFFAOYSA-O", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccc[n+](C)c4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWEFCANUVJGEIK-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccc(S(C)(=O)=O)cc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4871682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBPDEAJTXOHLM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccc(F)c4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSNDCHUZFFABV-UHFFFAOYSA-N", "SMILES:COCCOc1cc(C(=O)O)cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRLYPZOBQPXUGY-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCC(C)N(C)C)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGSWSPJUCDLGM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OCC(F)(F)F)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLRVJLIPUHTFM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)N(C)c2nc3c(OCc4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBGWJXPCFMGEK-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1[nH]c(CN)c(Cl)c1Cl)c1nc2c(OCc3ccccc3)cc(C(=O)O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTGAOGNUQQMSL-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)N(C)c2nc3c(O)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTRQYXOMSWJOOO-UHFFFAOYSA-N", "SMILES:COCCN(C(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc2ccc(C(=O)O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHNFTJARMVSSI-DAFNUICNSA-N", "SMILES:Cc1[nH]c(C(=O)/N=c2\\sc3cc(C(=O)O)ccc3n2Cc2ccccc2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJVABVJHVGDBNT-ROMGYVFFSA-N", "SMILES:Cc1[nH]c(C(=O)/N=c2\\sc3cc(C(=O)O)ccc3n2Cc2ccc(S(C)(=O)=O)cc2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFSPWQQBOBREG-VYIQYICTSA-N", "SMILES:Cc1[nH]c(C(=O)/N=c2\\sc3cc(C(=O)O)ccc3n2CC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDNXNNRREDOWRK-ROMGYVFFSA-N", "SMILES:Cc1[nH]c(C(=O)/N=c2\\sc3cc(C(=O)O)ccc3n2CC(=O)c2ccccc2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQCIIFPXSJICL-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)N(C)c2nc3ccc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPMNBGXJSVWPHC-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(c4ccccc4)C(F)(F)F)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWCBOLAEVUKUIO-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC4Cc5ccccc54)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLQZURYOVCCOCY-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(CO)c4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJVQRXEAXINDR-UHFFFAOYSA-N", "SMILES:COCC(Oc1cc(C(=O)O)cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNHTNQJDXDGCE-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(CN(C)C)c4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRAAYOKHQQPMQ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(CN4CCCCC4)c4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQONGLFBFQJAS-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(CN4CCOCC4)c4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTDXFXCNZDOECC-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C[N+](C)(C)C)c4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFMNCAZIKDJDK-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(CNC(=O)OC(C)(C)C)c4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNDDEFKKKCRACS-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(CN4CCC(N)CC4)c4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYKCFQJQBSOVFJ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(CN4CCC(NC(=O)OC(C)(C)C)CC4)c4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLDGFGUJILKAPW-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C)C)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBRKMYMLKZKNU-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C)C(C)C)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSSHFFRYSLKRJJ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C)C4CC4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOAWHQQIJKYCDK-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C)c4ccccc4)cc(C(=O)O)cc3s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBDVRBLOLEPHS-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C)c4ccccc4)cc(C(=O)O)cc3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBDVRBLOLEPHS-GFCCVEGCSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(O[C@H](C)c4ccccc4)cc(C(=O)O)cc3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBDVRBLOLEPHS-LBPRGKRZSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(O[C@@H](C)c4ccccc4)cc(C(=O)O)cc3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKQUCDNWWJYKH-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(CN4CCOCC4)C4CC4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTLKLFGXZXDMPA-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(CN4CCOCC4)c4ccccc4)cc(C(=O)O)cc3s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIDQMUXVNFBENI-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(CN4CCOCC4)c4ccccc4)cc(C(=O)O)cc3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFMRQPDVZWFCM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C)c4ccc(S(C)(=O)=O)cc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGBUDRSYGKZQL-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C)c4ccc(CN5CCOCC5)cc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETLUCPUGAAALG-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C)c4ccc(CN5CCOCC5)cc4)cc(C(=O)O)cc3s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDUNDYYVCOZIE-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2nc3c(OC(C)c4ccc(CN5CCOCC5=O)cc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLARJZRINWFNRT-UHFFFAOYSA-N", "SMILES:CC#CC(=O)NC12CC(NC3=C(Cl)C(=O)c4ncccc4C3=O)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGTBDMBBPVNDSZ-UHFFFAOYSA-N", "SMILES:O=C1C(NCCN2CCOCC2)=C(Cl)C(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL131199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVSFGNOGHOYKE-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(NC2CCc3ccccc32)C(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXZPCJMZXGTTI-UHFFFAOYSA-N", "SMILES:O=C1C(NC2CCc3ccccc32)=C(Cl)C(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL340219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHHRKUIAZMOQCW-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(NCCc2c[nH]c3ccccc23)C(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLBSODULWIGPL-UHFFFAOYSA-N", "SMILES:O=C1C(NCCc2c[nH]c3ccccc23)=C(Cl)C(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXEREVPJYMFRDY-MRVPVSSYSA-N", "SMILES:CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2cccnc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWYYBIFVYPZFMV-MRVPVSSYSA-N", "SMILES:CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ncccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKJKHAFGGSNKI-SSDOTTSWSA-N", "SMILES:CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(Cl)nc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXVYBWOFHGJHI-LLVKDONJSA-N", "SMILES:CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(N3CCCC3)nc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTNXGPFUKLSEJW-SNVBAGLBSA-N", "SMILES:CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(N3CCC(F)(F)C3)nc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXACPKKTRNCLLA-GMTAPVOTSA-N", "SMILES:CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(N3C[C@@H](O)[C@H](O)C3)nc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIRPHWBVZGXIA-UHFFFAOYSA-N", "SMILES:CC#CC(=O)NC12CC(NC3=C(Cl)C(=O)c4cccnc4C3=O)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKOPNAULYODRU-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(NC23CC(NC(=O)C4CC4(F)F)(C2)C3)C(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQIFTBQCOEECI-UHFFFAOYSA-N", "SMILES:O=C1C(NC23CC(NC(=O)C4CC4(F)F)(C2)C3)=C(Cl)C(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMZKBAOGFIKSS-UHFFFAOYSA-N", "SMILES:CC(F)(F)C(=O)NC12CC(NC3=C(Cl)C(=O)c4cccnc4C3=O)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZGWULNYSQCJQJ-UHFFFAOYSA-N", "SMILES:CC(F)(F)C(=O)NC12CC(NC3=C(Cl)C(=O)c4ncccc4C3=O)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHWLIIGJCKEDM-KLAILNCOSA-N", "SMILES:C[C@@](O)(C(=O)NC12CC(NC3=C(Cl)C(=O)c4cccnc4C3=O)(C1)C2)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRYBOQXSPQGCML-KLAILNCOSA-N", "SMILES:C[C@@](O)(C(=O)NC12CC(NC3=CC(=O)c4ncccc4C3=O)(C1)C2)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRUOYMNNALBDU-UHFFFAOYSA-N", "SMILES:O=C1C(Cl)=C(NCCC2(O)CCN(C(=O)C3CC3(F)F)CC2)C(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGFBLOLLFBNITG-UHFFFAOYSA-N", "SMILES:O=C1C(NCCC2(O)CCN(C(=O)C3CC3(F)F)CC2)=C(Cl)C(=O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFIEAQCGYECIG-GOSISDBHSA-N", "SMILES:C[C@@](O)(C(=O)N1CCC(O)(CCNC2=C(Cl)C(=O)c3cccnc3C2=O)CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQBZRQOYHKHXQB-GOSISDBHSA-N", "SMILES:C[C@@](O)(C(=O)N1CCC(O)(CCNC2=C(Cl)C(=O)c3ncccc3C2=O)CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWMVLHCKQMCJJC-UHFFFAOYSA-N", "SMILES:CC(F)(F)C(=O)NC1CN(C2=C(Cl)C(=O)c3cccnc3C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXUNBKRIGDLXFX-UHFFFAOYSA-N", "SMILES:CC(F)(F)C(=O)NC1CN(C2=C(Cl)C(=O)c3ncccc3C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMPDGCIIQGNGE-UHFFFAOYSA-N", "SMILES:CC#CC(=O)NC1CN(C2=C(Cl)C(=O)c3cccnc3C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYQVMPICFMBAO-UHFFFAOYSA-N", "SMILES:CC#CC(=O)NC1CN(C2=C(Cl)C(=O)c3ncccc3C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNMKTVTHWULLL-UHFFFAOYSA-N", "SMILES:CC(F)(F)C(=O)N1CCC2(CC1)CN(C1=C(Cl)C(=O)c3cccnc3C1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYNCITOIAHZHDY-UHFFFAOYSA-N", "SMILES:CC(F)(F)C(=O)N1CCC2(CC1)CN(C1=C(Cl)C(=O)c3ncccc3C1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDIINXBBPNTGSJ-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC2(CC1)CN(C1=C(Cl)C(=O)c3cccnc3C1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSMMWFAUCZTEC-UHFFFAOYSA-N", "SMILES:CC#CC(=O)N1CCC2(CC1)CN(C1=C(Cl)C(=O)c3ncccc3C1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQIYVJTWMEENE-UHFFFAOYSA-N", "SMILES:CC(F)(F)C(=O)NCCC1CCN(C2=C(Cl)C(=O)c3cccnc3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJGDDBZDJUBMTF-UHFFFAOYSA-N", "SMILES:CC(F)(F)C(=O)NCCC1CCN(C2=C(Cl)C(=O)c3ncccc3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAHKCNTZMMSIF-UHFFFAOYSA-N", "SMILES:CC#CC(=O)NCCC1CCN(C2=C(Cl)C(=O)c3cccnc3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPXXLQJVFJIFFC-UHFFFAOYSA-N", "SMILES:CC#CC(=O)NCCC1CCN(C2=C(Cl)C(=O)c3ncccc3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQILXJHCHUQJOK-UHFFFAOYSA-N", "SMILES:CC(F)(F)C(=O)NCCC1CN(C2=C(Cl)C(=O)c3cccnc3C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYHKKNJHHWHCQV-UHFFFAOYSA-N", "SMILES:CC(F)(F)C(=O)NCCC1CN(C2=C(Cl)C(=O)c3ncccc3C2=O)C1"]}
{"name": "Basement membrane-specific heparan sulfate proteoglycan core protein", "xref": ["CHEMBL.TARGET:CHEMBL5465297"], "id": "UniProtKB:P98160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDIZXAAADLAUDS-GTAFEMJLSA-N", "SMILES:CCCN[C@@H](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5303531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASYEGAVCTZSDO-UHFFFAOYSA-N", "SMILES:CC(Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBOGRIKIMYVQQC-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1nn(CCCCCCCCCCC(=O)Nc2cnnc(-c3ccccc3)c2)c(=N)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAIMRLBVWRGKMP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3ncc(-c4ccc(C(=O)NCCN(C)C)cc4)n3n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKXESAZGMJHLJ-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(CS(C)(=O)=O)cc2)nc1Nc1cc(C2CC2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4060481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWLCXWVFUXXNZ-UHFFFAOYSA-N", "SMILES:Nc1c(-c2n[nH]c(=S)o2)sc2ncc(-c3ccsc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYJOACPZLJMIJ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(OCc3ccccc3)ncnc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWLFGOTISTXLE-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ncnc3c2ncn3Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFLESJYTXCHFZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1c(-c2ccccc2)nc2c(OCc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5028838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMXZGMCPHWGQGT-UHFFFAOYSA-N", "SMILES:Nc1c(O)c(S(=O)(=O)O)c(O)c2c1C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRTDDTWOOFJKOH-UHFFFAOYSA-N", "SMILES:N#CCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGNONZTHOPLMQ-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWUQCPIOBQMPK-UHFFFAOYSA-N", "SMILES:CCC(Sc1nc2c(cnn2-c2cccc(F)c2)c(=O)[nH]1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWULHFSMQQGJRP-GZFHBYSBSA-N", "SMILES:COC(=O)C1=C2Nc3ccccc3C23CC2N(C)[C@H]3C[C@H]1[C@@]2(C)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COYOISRNGCGOAO-UHFFFAOYSA-N", "SMILES:Nc1c(-c2n[nH]c(=S)o2)sc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUYTWRAVONHPV-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1ccc(CNc2n[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDUACGTRWXVSQ-UHFFFAOYSA-N", "SMILES:O=C(NN1CCOCC1)c1ccc(CNc2n[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKIKDFIXLTWCTJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOOZXUJZKQXCC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C2=NNC3=CC=CC1C32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAAQEHMAOLJNIX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSBSYSDWXPOPA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKIFOJYEVRCUQM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQPNHQJKKSXPI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQJLZRGTGDJVEX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIGCDUNZTWIER-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXDDCQAOJIJVSR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPCWGTJPYHDONE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBBWQAVHMLMHLD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(I)cc1)N1CCN(C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTWSSMXJLFPRO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccccc2I)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETUTKPEMSQCPX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(C(=O)c3ccc(CNc4n[nH]c5ccccc45)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCMUJIWAGVVGIC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQXOBEACGPLPRY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRGFAWLVGCPPFJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccc(Br)cc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVNHIKDSPHXHN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTJFLAXLULPZGW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFXXKSVBTLDWFT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUJODNVYVGTTQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFNMNMCQLLOFP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2cc(F)ccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQCWERCYVNNMZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2cccc(F)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNSIUPYEQHVGRR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRKFYQLAODZAOS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2c(Cl)cccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYWYBAEEPSNKN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSOFLHQCDMMLMZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)N1CCN(C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJANGTUIFKVXII-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)N1CCN(C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNVWSCPZSVIAA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(CNc3n[nH]c4ccccc34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZGRUMBBTYYRX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2cccc(CNc3n[nH]c4ccccc34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTSQSOQYWMGMU-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3ccccc23)c1)N1CCN(C(=O)c2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCCPKGFXCDFHS-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3ccccc23)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFJQMMDRBHBBY-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3ccccc23)c1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYXRUUASBLANFA-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3ccccc23)c1)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBTCZBCHZHAGDF-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3ccc(Cl)cc23)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVBTRPZOBDNKQ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3cc(Cl)ccc23)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMCTUXOATJSCMW-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3ccc(Br)cc23)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQZFIPSOPQSBJ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3cc(Br)ccc23)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZCTWSWOQQVIZ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3cccc(F)c23)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVJCKVTHDFYBX-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3cc(F)ccc23)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGSYIHQPWVGBW-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3c(F)c(F)ccc23)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJZIIHLMUAHIIA-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3cccc(I)c23)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSTFNYDDIQDCQW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDWFCDDMIXETM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEAPUMUJMZNUAV-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCN(C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSIWBUXAHFTGLV-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMWPFJSKCJXGAB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQCWIUXTFMAMB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLKPEJVMWOZNHE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIMEPJVFAMBOJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTHJPUIPYRPFD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBPXAHDTNPOCTO-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1C(=O)N1CCN(C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNXSYJPLDULBA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccc(CNc4n[nH]c5ccccc45)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVZSQWNXOQJHRD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(C(=O)c3ccc(CNc4n[nH]c5ccccc45)cc3)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJGBRGSHGLPVGC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(CNc3n[nH]c4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCQUWTXTZOPQFM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cccc(CNc3n[nH]c4ccccc34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMWUZZXHNTHJN-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3ccccc23)c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJILMPGEWOIDA-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3ccccc23)c1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECOHPFWGOCWLO-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(CNc2n[nH]c3cccc(Cl)c23)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2144409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMXVKKPYBGIAS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEOVUUQKOGPBHF-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1cc(Nc2ccccn2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHPRSMXTYPCCD-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1cc(Nc2cccnn2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLRNOIQEDNDKT-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1cc(Nc2cccc(C)n2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOUHLFECGLYQJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICCAEUZPYASGSV-HKZOMLJHSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPOXUNWFDOPIW-FSWNHCJHSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBQLGHUVLQUSG-YXSHCOQDSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOGMESAENVJHH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C)c(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLRXNRIDPXAJR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORNCIGFIQZVUML-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1cccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNGKZNSVOWJVBF-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDLBJLVOAQVAE-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(C)c(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAYRUYSECAPMPO-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(-c2cc(C(=O)NCc3c4c(c(C)[nH]c3=O)CCCC4)c(C)c(N(CC)C3CCOCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJVIXXMFVHPER-CPGMSEGHSA-N", "SMILES:CCOCCNC(=O)/C(C)=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c(C/C=C(\\C)CCC=C(C)C)c(O)c(CC=C(C)C)c5O[C@]431)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRYIDIDQOAKIIB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cccc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFGZUZNICTWMFA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cccc3ccc(C)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJYQIQINXOLXRB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cccc3cc(C)cnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPCAIUIHZEYAD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(C)c3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBFGNLHFJPHPAD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(C)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBZZMDAWHDDOFN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cccc3ccc(OC)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYJQKAWJGMTUMA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(OC)c3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTVZZAHKTVMGPA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(OC)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFGDWLYDOMFCA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cccc3ccc(Cl)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSPDEKPDFNBRT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cccc3cc(Cl)cnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMJYYMFCJIJUTA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cccc3c(Cl)ccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRUQRZWHJYOOJH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(Cl)c3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUTIZSYCMUPREI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(Cl)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPJTKHMUKHCBG-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(F)c3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DATRLTNBZWRBPI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(F)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBFXJCBXDMGTPK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(Br)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPMEBZKUOLVJC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(C(F)(F)F)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYANNDNFAKCHEC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(O)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXPQAZJMCCPVQL-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(C#N)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXZVSEDQEUIUHT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(C3CC3)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZELXHOCJMVBKRQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(C)c(Cl)c3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGAAXJGAMPFAI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(OC)c3ccc(OC)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIXZFAEEJIIGX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2ccc(Cl)c3ccc(OC)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXIQDAHQCVUNNZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(F)c(Cl)c3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHZLCXXMQAHGH-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cnc(C(=O)Nc2cc(F)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZXKWDGFOFELX-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1cnc(C(=O)Nc2cc(F)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHPHBNMBPLVOER-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cnc(C(=O)Nc2cc(F)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCXXEZMLXHNAI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)cc2cccnc12)c1cnc(NCCN2CCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBNRHYCEDVXFSO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)cc2cccnc12)c1cnc(NCCN2CCS(=O)(=O)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBJWZDSDIRQRV-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cnc(S(=O)(=O)NCCN(C)C)cn2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYKGNRDBUCAXKP-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cnc(N3CCN(CCN)CC3)cn2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHHGUHPYKBFFQM-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cnc(NCCN3CCNCC3)cn2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OABBIJYYEHSJIO-UHFFFAOYSA-N", "SMILES:CCN(CCO)CCCC(C)Nc1cnc(C(=O)Nc2cc(C)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWYFKYOUDIBBD-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cnc(OC3CCNCC3)cn2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNEIAGSODGPTBB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)NCC(=O)Nc1cc(C)cc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRPKLLDDWZXQN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(CNc2cc(F)cc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMBNTSDGYBGPJD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1nc(C(=O)Nc2cc(F)cc3cccnc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIRVELURMYQGKV-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1ccc(S(=O)(=O)Nc2cc(F)cc3cccnc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXINDCXNTQQYNL-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2c(C)ccc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHJIZVUYBHILMD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2c(OC)ccc3cccnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSRAVKFFOQFCG-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ncnc4cc(OCCCCCC(=O)Nc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c(OC)cc34)c(F)c1)c(C)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKENQUDOTQBCJH-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ncnc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWLLTZBWKFVSNN-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJRDHWAWBWVSME-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZGREVSMBFPDR-VOTSOKGWSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJHPCPJVNVJMJN-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKYFTPWSZKJKI-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPCWRAHHPQFFQ-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYPPIDGBVFPGV-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGDZSKGXGIHAU-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPNYICYKMMCCY-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOWIRGFTCOSOFA-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPNXHPLWFYMQAX-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIINPVSKEZIMIH-VOTSOKGWSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWVMFAZSVPPKU-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQCIUVVFATQGL-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQQTHXTRPWXQA-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTVRRHYXPSPEC-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYOLNKDLLVYTR-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTUWAKCOHQXBL-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFBBQCFOBJCCPC-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1ccccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDBHAUJAPDEEPP-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1ccccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUHSPAALPDRSJ-VOTSOKGWSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1ccccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPAJEXKRIIIQT-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOAVFORMXRGTD-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHDLYPGABJWGL-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSRNQQRGIHDBPS-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQCIVVCUOOHKPB-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLWFLQJLDBZRU-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJKYQRXKSPKOH-SNAWJCMRSA-N", "SMILES:CC(=O)c1ccc(-c2cnc(NC3CCN(Cc4ccc(S(N)(=O)=O)cc4)CC3)nc2Oc2c(C)cc(/C=C/C#N)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLOURPLSEPGORM-SNAWJCMRSA-N", "SMILES:CC(=O)c1ccc(-c2cnc(NC3CCN(Cc4ccc(C(N)=O)cc4)CC3)nc2Oc2c(C)cc(/C=C/C#N)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESPDVYNYBKEBK-AATRIKPKSA-N", "SMILES:CC(=O)c1ccc(-c2cnc(NC3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)nc2Oc2c(C)cc(/C=C/C#N)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMOJYWNWVQBMQ-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDIXKQKLDMXXQH-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBEDCPBQOAZGGJ-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMPQILDOBKNIH-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVUKHONWGMHLA-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGLQEOOUCUBAX-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIAWHLJUFCPGDI-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZVHKEQXUVVTAP-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJCMSSNSWPNZOD-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJCMPISKSJCSD-YQOAAFCBSA-N", "SMILES:O=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@@H]3[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4[C@H](OS(=O)(=O)O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](Oc8ccc([N+](=O)[O-])cc8)O[C@@H]7C(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@@H]5C(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOCCUBNXBUXTNS-ZEQKJWHPSA-N", "SMILES:CNC(=O)[C@@H]1CC[C@@H](n2c(-c3ccc4cnccc4c3)nc3ccc(C(=O)NCc4cccc(C(N)=O)c4)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSNLCCKRVCPONE-UHFFFAOYSA-N", "SMILES:CNC(=O)CCc1ccc(C(=O)NCc2cccc(N3CCN(c4nc(Nc5cccc(S(N)(=O)=O)c5)ncc4OC)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLXSCFNPECTRQG-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccc3cnccc3c2)nc2ccc(C(=O)NCc3cccc(C(N)=O)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDAVHUIMGSUDCW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(CNC(=O)c2ccc3nc(-c4ccc5cnccc5c4)n(C4CCCC4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGAYXUYUFIVYBY-ZEQKJWHPSA-N", "SMILES:CNC(=O)[C@@H]1CC[C@@H](n2c(-c3ccc4cnccc4c3)nc3ccc(C(=O)NCc4ccccc4)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCTKPVIQGCCIMM-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAIIYJUIUIVUKE-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJLHFQKVKGDOAV-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCN(c2ccccc2)CC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDXVLJROIAZLBT-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCN(c2ccccc2)C(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIBPTBSBEJKQJM-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CC2CC1CN2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIGBLJXGSNFKOX-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CC2CCC1CN2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRXVBGOEQSRNC-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLFCGJWGAUJPE-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCN(c2ccccc2)CC12CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWQHMYNJYWGES-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CC2CCC(C1)N2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFOVRWWNWNLRB-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CC(F)(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBDMIBAJVJSVBK-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCN(c2ccccc2)CC1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMPZSOMHQSWEN-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCN(c2ccccc2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOCASRZXPSAWOH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(Nc2ncc(F)c(N3CCN(c4ccccc4)C(=O)C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMEFCSYXKFCLKZ-UHFFFAOYSA-N", "SMILES:CCOc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCN(c2ccccc2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNQRFZDXIJRCR-QHCPKHFHSA-N", "SMILES:COC(=O)c1cccc(C#Cc2ccc3c(c2)N(C)C(=S)[C@@H](NC(=O)c2n[nH]c(Cc4ccccc4)n2)CO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLZWZQHWWHOBFQ-QHCPKHFHSA-N", "SMILES:COC(=O)c1ccc(C#Cc2ccc3c(c2)N(C)C(=S)[C@@H](NC(=O)c2n[nH]c(Cc4ccccc4)n2)CO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHFMPAONJFMQU-QHCPKHFHSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(C#Cc3ccccc3C#N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXFZPWNEHTULGS-QHCPKHFHSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(C#Cc3cccc(C#N)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBDYESGDBLFRP-QHCPKHFHSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(C#Cc3ccc(C#N)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFSZOVSFQAAPIO-QFIPXVFZSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(C#Cc3cccc([N+](=O)[O-])c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWWSHXDKOOQPV-QFIPXVFZSA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(C#Cc3ccc([N+](=O)[O-])cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVNHCWNYOLYAZ-INIZCTEOSA-N", "SMILES:C#Cc1ccc2c(c1)N(C)C(=S)[C@@H](NC(=O)c1n[nH]c(Cc3ccccc3)n1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRKUSQMVSXSKK-IBGZPJMESA-N", "SMILES:CN1C(=S)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(C#CC3CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIKPVGHOLBIANW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPOOYMXCIFSCQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYFXJUZSMPDDEB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBECNOZCCFLMDH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCCOCCCCOCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQTRJZGGTODEON-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCCOCCOCCOCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYWFTQZIJBJEI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCOCCNC(=O)CC2C3CC4CC(C3)CC2C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWCXDTNYUPOICR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZINXXAZORXDL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCOCCOCCOCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWAEUZSLYSKBK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCCOCCCCOCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTEJTFJRWILINF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCCCOCCOCCOCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZLZBDNEVKHWNT-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSBWEQAOENBUAC-YULYEBFUSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOJWPMGNNENIR-NZIKQTDFSA-N", "SMILES:CCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRUMIFTJHGTSG-WTWYFMHPSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMMNGJGKCIYKV-QYEUDVQTSA-N", "SMILES:CCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIQQCKUQINDNG-AQNXAQIJSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHGXYGFFHGSSP-ZRMADWCCSA-N", "SMILES:CCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKHWTZDRBSJOB-RYLASWSWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFWSNJNUQLJOF-WFDSQHQASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVYQCSKUHBUTQC-YQEGSEHHSA-N", "SMILES:CCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUULVWTAHAIFZ-OTXFHJJVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZMNWQISFAOLK-QPKUNTHGSA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIGYJSULYZRBR-XTSYVAIMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZUNLQJGOTZJN-VMHNBKRWSA-N", "SMILES:CCCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZWXCAAOPJNFK-DHTPJGHVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUCBRGUPBWIKN-KCTNEBGASA-N", "SMILES:CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANASVULYVWFTIS-MEXVZQOHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUCAZHSRRSSNO-IPQCOPQQSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSWPOGGCGJSMCU-ZZRDQGDZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNPIBIBWPFLBH-SALJRFNLSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSJLVEWXIPHBTF-UHFFFAOYSA-N", "SMILES:Nc1nccn1Cc1cn(-c2ccc(Cl)c(C(=O)C(F)F)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWPKMYJPGCYEL-UHFFFAOYSA-N", "SMILES:FC(F)Oc1cc(-n2cc(Cn3ccnc3)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHURWAAXYDILD-UHFFFAOYSA-N", "SMILES:FC(F)Oc1cc(-n2cc(CNc3ncco3)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVFZWKFTJHULNK-UHFFFAOYSA-N", "SMILES:FC(F)Oc1cc(-n2cc(CNc3ccccn3)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSJRFPPGWLDKML-UHFFFAOYSA-N", "SMILES:FC(F)Oc1cc(-n2cc(CNc3ncccn3)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCFNRZJDCERJZ-UHFFFAOYSA-N", "SMILES:Fc1cccnc1OCc1cn(C2CCC(Cl)C(OC(F)F)C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHXWEWUJFWZAR-UHFFFAOYSA-N", "SMILES:FC(F)Oc1cc(-n2cc(COc3cccnn3)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPDPFUVSKRIMJV-UHFFFAOYSA-N", "SMILES:FC(F)Oc1cc(-n2cc(COc3ccncn3)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIGALIAOABUJRA-UHFFFAOYSA-N", "SMILES:FC(F)Oc1cc(-n2cc(COc3cnccn3)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYWDOUYCQTVCTE-UHFFFAOYSA-N", "SMILES:FC(F)Oc1cc(-n2cc(COc3cncnc3)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XADXLHOSTVLLIE-UHFFFAOYSA-N", "SMILES:FC(F)Oc1cc(-n2cc(COc3ncccn3)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGPIRIWUILWZNN-SECBINFHSA-N", "SMILES:C[C@@H](Oc1ncccn1)c1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPZRFANDLVSCL-UHFFFAOYSA-N", "SMILES:Cc1cnc(OCc2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJAFALJAQCZQG-UHFFFAOYSA-N", "SMILES:Cc1cnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNSEOYRLXQGFM-UHFFFAOYSA-N", "SMILES:Cc1cnc(OCc2cn(-c3ccnc(C)c3)nn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTZUCMMSLKQSFK-UHFFFAOYSA-N", "SMILES:Cc1cnc(OCc2cn(-c3cccc(C(F)F)c3)nn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMPLIZYKYHCOI-UHFFFAOYSA-N", "SMILES:Cc1cnc(OCc2nnn(-c3cccc(C(F)F)c3)c2C)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTXTYPRIVRMHZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2cc(COc3ncc(N4CCC4)cn3)nn2)cc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTKDZSSUNSIGLN-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJARMIUZBYDZBZ-UHFFFAOYSA-N", "SMILES:Cc1ccnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXOYYFQRTPZDDN-UHFFFAOYSA-N", "SMILES:CNc1ccnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVKDWYWBOKOSHV-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2cc(COc3nccc(N4CC(F)C4)n3)nn2)cc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCGOKWENZQQJQ-UHFFFAOYSA-N", "SMILES:Nc1nc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZQOGTTUTCCEIL-UHFFFAOYSA-N", "SMILES:COCc1ccnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAJIJPQPJSORQU-VMBFOHBNSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)N(C(=O)COc3ccc(OC(F)(F)F)cc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGYGAIQPMBZCX-FHULIHMCSA-N", "SMILES:C#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POKGOYUMQMREBP-OLMNGRFOSA-N", "SMILES:C#C[C@H](CCSC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKVRJAYHSPDNHQ-YYFQZIEXSA-N", "SMILES:CSCC[C@@H](C#N)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDKKRSRQHVRDMX-DCHLLWBOSA-N", "SMILES:C#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)COc1ccc(OC(F)(F)F)cc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWNDVCJTVEHHD-PILWDZAYSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)N(C(=O)COc3ccc(C(F)(F)F)cc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSXOXEPZLHAGPT-WAEHTFFWSA-N", "SMILES:C#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)COc1ccc(C(F)(F)F)cc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBLITQCXOGJSB-OTWHNJEPSA-N", "SMILES:C#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJAOBZWEYMXKI-WKOLOUIMSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#Cc1ccccc1)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSQUEPWVAXRJAH-SPXUEHIWSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEBWEDMRCKFAH-FHULIHMCSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#CC(F)(F)F)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEFSBHMHKPVNIQ-UHFFFAOYSA-N", "SMILES:CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(CCOCCOCCOCCOc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)ncn4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLPRZYGLJYESF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3[nH]ccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFHYHNDKUBRSSW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2ccn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORVKFYVSXATKW-UHFFFAOYSA-N", "SMILES:CCC(C)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3cn(C)c(=O)c4[nH]ccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDWOFKQFWQFVOA-UHFFFAOYSA-N", "SMILES:CCCC(C)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3cn(C)c(=O)c4[nH]ccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWBXJNIZAPAHG-UHFFFAOYSA-N", "SMILES:CCC(CC)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3cn(C)c(=O)c4[nH]ccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUJIBUUZBLLTLI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2ccn3C2CCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUXOBFSFBIPJTK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2ccn3CC2CCCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBPKMDWXWAMBQA-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3[nH]ccc23)c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNRYWUWLJMKBM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2ccn3C(C)C)c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTUCBQDEKFSDX-UHFFFAOYSA-N", "SMILES:CCC(C)n1ccc2c(C(=O)NCc3c4c(c(C)[nH]c3=O)CCCC4)cc(-c3cn(C)c(=O)c4[nH]ccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVERTXLMDDOWMV-UHFFFAOYSA-N", "SMILES:CCCC(C)n1ccc2c(C(=O)NCc3c4c(c(C)[nH]c3=O)CCCC4)cc(-c3cn(C)c(=O)c4[nH]ccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZGHRFDQOUZSHP-UHFFFAOYSA-N", "SMILES:CCC(CC)n1ccc2c(C(=O)NCc3c4c(c(C)[nH]c3=O)CCCC4)cc(-c3cn(C)c(=O)c4[nH]ccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLIRARDJREAHU-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2ccn3C2CCCC2)c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXDHFAHLNSDDF-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2ccn3CC2CCCCC2)c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFSKNJSPXDOGAH-UHFFFAOYSA-N", "SMILES:CCC(C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3cn(C)c(=O)c4[nH]ccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOIYLXOLPKSHR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2c(C)cn3CC2CCCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRKQABQSVHMDL-UHFFFAOYSA-N", "SMILES:CCC(C)n1cc(C)c2c(C(=O)NCc3c4c(c(C)[nH]c3=O)CCCC4)cc(-c3cn(C)c(=O)c4[nH]ccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMTDWHKQZPDLDR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2cnn3C2CCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQLCPLUAZAIHKP-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)c(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2cnn3C2CCCC2)c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSFKBQGSFSOSM-UHFFFAOYSA-N", "SMILES:CCC(C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQXJESQAJQECBB-UHFFFAOYSA-N", "SMILES:CCCCCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(Cl)c3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFCSCULHCCWCA-UHFFFAOYSA-N", "SMILES:CCCCCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(I)c3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRAJTONBHBJIY-UHFFFAOYSA-N", "SMILES:CCCCCN1CCN(c2ccc(S(=O)(=O)Oc3cc(OC)cc(OC)c3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJXPRDHAJNAMY-UHFFFAOYSA-N", "SMILES:CCCCCN1CCN(c2ccc(S(=O)(=O)Oc3cc(Cl)cc(Cl)c3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZZTWGWSVOXHQL-UHFFFAOYSA-N", "SMILES:CCCCCN1CCN(c2ccc(S(=O)(=O)Oc3cc(OC)c(OC)c(OC)c3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEJZYKHBJYFNX-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(c2ccc(S(=O)(=O)Oc3cc(OC)c(OC)c(OC)c3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLJCKGMWOMANO-UHFFFAOYSA-N", "SMILES:Cc1nc2c(cc1-c1cnn(C)c1)CC1(CCN(C(=O)Cc3ccc(F)cc3)C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOWFRNKFAURWIW-INIZCTEOSA-N", "SMILES:Cc1nc(N[C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)ccc1-c1nc(C(F)(F)F)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIGXCGHNOOQSDT-KRWDZBQOSA-N", "SMILES:Cc1nc(N[C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)ccc1-c1ncn(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCYRYGDVBLWLI-SFHVURJKSA-N", "SMILES:COc1ccc2nc(N[C@H]3CCN(C(=O)Cc4cc(F)cc(F)c4)C3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMNLNKBTHTQIH-SFHVURJKSA-N", "SMILES:COc1ccc2nc(N(C(=O)Cc3cc(F)cc(F)c3)[C@H]3CCNC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMVLGHFHGCZIO-QHCPKHFHSA-N", "SMILES:Cc1nc2c(cc1-c1cnn(C)c1)OC[C@@]1(CCN(C(=O)Cc3ccc(F)cc3)C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZFVSWLPKKDNC-DEOSSOPVSA-N", "SMILES:Cc1nc2c(cc1-c1cnn(C)c1)CC[C@@]1(CCN(C(=O)Cc3ccc(F)cc3)C1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYULZWFVMLMMHI-SPSFWMDKSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@@]3(COc4cc(-c5nc(C(F)(F)F)n(C)n5)c(C)nc4N3)C2)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRJSPPVRGELGB-SHACYNPGSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@@]3(COc4cc(-c5ncccn5)c(C)nc4N3)C2)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWVMSUJPQOLRFG-INIZCTEOSA-N", "SMILES:COc1cc(CC(=O)N2CC[C@H](Nc3ccc(-c4nc(C(F)(F)F)n(C)n4)c(C)n3)C2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQJYXFKZKFWFKG-HNNXBMFYSA-N", "SMILES:COc1cc(CC(=O)N2CC[C@H](Nc3ccc(-c4nc(C(F)F)n(C)n4)c(C)n3)C2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXYVIQJOPWSYIW-CJNGLKHVSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@H](Nc3ccc(-c4nc(C(F)F)n(C)n4)c(C)n3)C2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADBIDSWNOQWYKU-OCCSQVGLSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@H](Nc3ccc(-c4nc(C(F)F)n(C)n4)c(C)n3)C2)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULQWRELSYOPZMD-OCCSQVGLSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@H](Nc3ccc(-c4nc(C(F)(F)F)n(C)n4)c(C)n3)C2)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBGMKPMOVKLNV-ZBFHGGJFSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@H](Nc3ccc(-c4ncccn4)c(C)n3)C2)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYNXNIYWXAMRO-YPMHNXCESA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@H](Nc3ccc(-c4n[nH]c(C(F)F)n4)c(C)n3)C2)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADBIDSWNOQWYKU-SOWWTSDBSA-N", "SMILES:[2H]C([2H])([2H])n1nc(-c2ccc(N[C@H]3CCN(C(=O)[C@H](C)c4cc(OC)ncc4F)C3)nc2C)nc1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXSAJKICUJBDD-IBGZPJMESA-N", "SMILES:COc1ccc2nc(N[C@H]3CCN(C(=O)Cc4cc(F)cc(F)c4)C3)c(C)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDWVMVMNRYMCN-YYUOZPCZSA-N", "SMILES:COc1cc([C@@H](C)C(=O)N2CC[C@@]3(COc4cc(-c5nc(C(F)F)n(C)n5)c(C)nc4N3)C2)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROTHBSFMHAHRTG-VLGXOXMCSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBJQFBJSTUQOF-VLGXOXMCSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2cc(N)ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDKRFZOIHJPTRE-YNOSRJHOSA-N", "SMILES:C#Cc1ccc2c(c1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H](C(N)=O)CS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTFOEQYGYVFQPJ-DKXGLPMMSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTFOEQYGYVFQPJ-IMAQRSJWSA-N", "SMILES:C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHOQEHTFUNKKJ-IMAQRSJWSA-N", "SMILES:C[C@H]1NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDHOQEHTFUNKKJ-DKXGLPMMSA-N", "SMILES:C[C@@H]1NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKZXQIAHZXKIW-IMAQRSJWSA-N", "SMILES:C[C@H]1NC(=O)c2cc(N)ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQIIPUPHPWBDF-CPBYAEMQSA-N", "SMILES:C[C@H]1NC(=O)c2cc(C#N)ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDRZFXISWDZNM-FGQYDPOTSA-N", "SMILES:C#Cc1ccc2c(c1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H](C(N)=O)CS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVLRCXVPKHTHFV-IMAQRSJWSA-N", "SMILES:C[C@H]1NC(=O)c2cc(C(=N)N)ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBTXPIMNKGZFB-ZTLMDPNHSA-N", "SMILES:C[C@@H]1NC(=O)c2cc(NC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZDAFBCWHVROA-BNDGGGGKSA-N", "SMILES:C[C@@H]1NC(=O)c2cc(-c3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOWUFLPXVQKTNW-XJZSZEIDSA-N", "SMILES:N#Cc1ccc2c(c1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H](C(N)=O)CS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGLNBCLJXFLRV-UHFFFAOYSA-N", "SMILES:C#Cc1cc(NC(=O)c2ccc(-c3ccnnc3)nn2)c(C(=O)O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTHQWCJKZOGZHX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-n2cccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUPTXDPIFHCHTL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-n2cncn2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLOPHUZVOSINMY-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccn(-c2ccc(C(=O)Nc3cc(F)c(F)cc3C(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDEZZQVEDHLZHD-UHFFFAOYSA-N", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(F)c(F)cc3C(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWTUNLASPUDHR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-c2ccoc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUPXAWWZHMSCJS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-c2cnsc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLCOFUVYGHMDKW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(C(=O)Nc3cc(F)c(F)cc3C(=O)O)nn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUELXUFAEFUKPJ-UHFFFAOYSA-N", "SMILES:Cc1cncn1-c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTKZXBOZTIAHIE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(Nc2cn[nH]c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWJGOEVFTFHDCR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-c2cccnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKQZLWMIFVVMN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-c2cncnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWQNTTZBHXDIV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-c2ccnnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHYKUKJJYNUCW-UHFFFAOYSA-N", "SMILES:CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC3COC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWHSJGJICXQOOU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)O)c(NC(=O)c2ccc(-c3ccnnc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPMXLJNNVHRBW-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(-c3ccnnc3)nn2)c(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMGMKRQOOUUBH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1C(=O)O)c1ccc(-c2ccnnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPAGUKAWSQGBFV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(-c2ccnnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSZXSSZMVFTMAP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Br)ccc1C(=O)O)c1ccc(-c2ccnnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTOKJZKVBWGDBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)c(F)cc1C(=O)O)c1ccc(-c2ccnnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCZUNDCHUWDQB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Br)c(F)cc1C(=O)O)c1ccc(-c2ccnnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNOPESRJCVXFJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(N2CCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNICLRVKGXNOLR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccnnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIBQGCOMEWUAJQ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)NN)N(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMKXPTGMMOTVOP-UHFFFAOYSA-N", "SMILES:Cc1cccn2c1nc1c3ccccc3nc(-c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYBLENAZAECNS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccccc3c3nc4c(C)cccn4c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAMKCZDCLAKVIN-UHFFFAOYSA-N", "SMILES:Cc1cccn2c1nc1c3ccccc3nc(-c3ccc(Cl)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWBFJWUDXCLTB-UHFFFAOYSA-N", "SMILES:Cc1cccn2c1nc1c3ccccc3nc(-c3cccs3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMIRCRQPUZMVFA-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccc3c3nc4ccccn4c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYLYDCVXNGOTL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3ccccc3c3nc4ccccn4c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSDATKNGAEIHK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccc3c3nc4ccccn4c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMKGMHMKOAVCLM-OQLLNIDSSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FILBHLMAZQOSRM-CWBDRXANSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@H](Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FILBHLMAZQOSRM-LZZUIANGSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHIXDFRNBOEPTF-SQFSSCTGSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSYCQPUUYBBBQ-BVEXFFHSSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCCC[C@@H](Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSYCQPUUYBBBQ-MEQIQYKBSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCCC[C@H](Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTRIOQDZUXVFP-OQLLNIDSSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)NC2CCCC(Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCPITJJFBUIGLD-ZDADTQBUSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CC[C@H](Nc3ncc(Cl)c(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXHTZDJALFWBHL-PDAIQNRNSA-N", "SMILES:Cc1cccn2nc(-c3ccccc3)c(-c3ccnc(N[C@H]4CCN(C(=O)c5ccc(NC(=O)/C=C/CN(C)C)cc5)C4)n3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLWBOSFRJIHRI-WBYFNBFHSA-N", "SMILES:Cc1ccc2c(-c3ccnc(N[C@H]4CCN(C(=O)c5ccc(NC(=O)/C=C/CN(C)C)cc5)C4)n3)c(-c3ccccc3)nn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHEWUQRYCYPWDW-LKMOGQEYSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CC[C@H](Nc3nccc(-c4c(-c5ccc(F)cc5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBGQUDQYBPKDMG-FJEQHEBYSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CC[C@H](Nc3nccc(-c4c(-c5cccc(Cl)c5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BITKACVYPQACTC-LKMOGQEYSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CC[C@H](Nc3nccc(-c4c(-c5ccc(Cl)cc5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVONQZQMUHLATI-LQDRROMLSA-N", "SMILES:C[C@@H]1CN(C(=O)c2ccc(NC(=O)/C=C/CN(C)C)cc2)C[C@H]1Nc1nccc(-c2c(-c3ccccc3)nn3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVONQZQMUHLATI-VNUOQHPPSA-N", "SMILES:C[C@@H]1CN(C(=O)c2ccc(NC(=O)/C=C/CN(C)C)cc2)C[C@@H]1Nc1nccc(-c2c(-c3ccccc3)nn3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVONQZQMUHLATI-ZYIWCSJPSA-N", "SMILES:C[C@H]1CN(C(=O)c2ccc(NC(=O)/C=C/CN(C)C)cc2)C[C@@H]1Nc1nccc(-c2c(-c3ccccc3)nn3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVONQZQMUHLATI-PIAHHGHBSA-N", "SMILES:C[C@H]1CN(C(=O)c2ccc(NC(=O)/C=C/CN(C)C)cc2)C[C@H]1Nc1nccc(-c2c(-c3ccccc3)nn3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHIXDFRNBOEPTF-IOSOZGCBSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CC[C@H](Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHBKMPDJKIORDY-PWUYWRBVSA-N", "SMILES:C[C@H]1CN(C(=O)c2ccc(NC(=O)CCCN(C)C)cc2)C[C@H]1Nc1nccc(-c2c(-c3ccccc3)nn3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYMQWSDCOEVCI-OFHCFCQESA-N", "SMILES:COc1ccc(C[C@H](NC(=O)OC2CSSC2)C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c(N(C)C)ncnc43)O[C@@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSDZYIRVJGIGQ-HOEDKODCSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)OCCSSCCO)C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c(N(C)C)ncnc43)O[C@@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBGATGVPZVAVOT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)c2[nH]ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL213054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUZVOLEKQFVCQ-OKCRAPNYSA-N", "SMILES:CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRLBTOJQLXGOHO-UHFFFAOYSA-N", "SMILES:O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRFDPJYHCJVJEP-ZJOUEHCJSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBKFLTYGSREKK-PMACEKPBSA-N", "SMILES:CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5404684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVFFFJZQVENJC-HPNRGHHYSA-N", "SMILES:CCOC(=O)[C@H]1OC1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL134083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNRUTWQSWUTEMQ-RDGATRHJSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLGAPQDCANKGOM-RPBOFIJWSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTPIFOCPZNQHH-KRWDZBQOSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)NCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAZCLKUQJXKIH-SFTDATJTSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@H](C#N)CCCn2cc(C(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFFNUUKPQOVZQL-GMAHTHKFSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@H](C#N)CCCn2cc(CC(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBSGPKCRCQYQBC-VXKWHMMOSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@H](C#N)CCCCn2cc(C(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVXJGGRCDIEJGL-GGAORHGYSA-N", "SMILES:COC(=O)Cn1cc(COC[C@@H](C#N)NC(=O)[C@H](Cc2cccc(C)c2)NC(=O)c2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXQQLBVHDCMGM-IRLDBZIGSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@H](C#N)COCc2cn(CC(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYKCHGAHQFBMK-BVAGGSTKSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZPCBXHVHPMROC-FTJBHMTQSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZHMXDGMMSKTG-ZWXJPIIXSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZNMKDGJFVZBH-ZWXJPIIXSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFZSXLJKOISNQ-FTJBHMTQSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNGLLWQGDQQAP-FTJBHMTQSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECOERRKAXVGTN-FTJBHMTQSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZKDUZRSAZCCKE-FTJBHMTQSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHCPKQMVROEQJ-FTJBHMTQSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTNCOJILZYZHCV-QGLFPKSOSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1cccc(C(F)(F)F)c1.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCZJJGUPCOOXJV-RPBOFIJWSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(I)c1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGOKPZKLDSCBJS-JSOSNVBQSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(I)c1)NC(=O)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACTFZONVYFKUAL-RPBOFIJWSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)O)c1)NC(=O)[C@H](Cc1cccc(I)c1)NC(=O)c1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APXXDXPVZHMOEO-AWEZNQCLSA-N", "SMILES:C#CCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGVRCLQVANBYQQ-KRWDZBQOSA-N", "SMILES:C#CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSWBPFKJWGCJPA-SXOMAYOGSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)OC)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWAMRFLVSXWOCC-IZLXSDGUSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)OCC=C)c1)NC(=O)[C@H](Cc1cccc(I)c1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDUXOZLZUSBMFQ-HNNXBMFYSA-N", "SMILES:C#CCNC(=O)[C@H](CS(=O)(=O)CC(C)C)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLHJZFYQKBNEC-SXOMAYOGSA-N", "SMILES:C#C[C@H](COCc1cccc(C(=O)OC)c1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSCUXSBDQDFDQ-YADHBBJMSA-N", "SMILES:C#C[C@H](CCCn1cc(C(=O)O)nn1)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGMUYGANXVKGD-SFHVURJKSA-N", "SMILES:C#CCNC(=O)[C@H](Cc1cccc(C)c1)NC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMSYZJDIQPSDI-IJLUTSLNSA-N", "SMILES:CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1O[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5440696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZUAZFJFUZRBGV-CYFREDJKSA-N", "SMILES:COC(=O)C1=C(CN2CCN3C(=O)N(c4ccc(C(=O)O)cc4)C[C@@H]3C2)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZFATHEXCZUMD-KKSFZXQISA-N", "SMILES:COC(=O)C1=C(CN2CCN3C(=O)N(CC4(C(=O)O)CC4)C[C@@H]3C2)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWUCLJLIYQBCR-JTSKRJEESA-N", "SMILES:COC(=O)C1=C(CN2CCN3C(=O)N(CC4(C(=O)O)CCC4)C[C@@H]3C2)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCMTNHARGNHEY-AQKFKSFVSA-N", "SMILES:CCOC(=O)C1=C(CN2C[C@H]3CN(C(C)(C)C)C(=O)N3C[C@@H]2C(=O)O)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269081", "category": ["biolink:ChemicalEntity"], "name": "CEPHALOSTATIN 1", "xref": ["InChIKey:HHBSFXFIMWLBAI-QEEYNDHBSA-N", "SMILES:C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@@H]3[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL232644", "category": ["biolink:ChemicalEntity"], "name": "SCHWEINFURTHIN A", "xref": ["InChIKey:HSDZWMOBUPRZEU-LXYWBZBZSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]2(C)O3)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5425718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORQGJGXNWBQQPK-SLEPEMCHSA-N", "SMILES:C[C@@H]1[C@@]2(CC[C@](C)(O)CO2)O[C@H]2C=C3[C@@H]4[C@@H](O)C[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@]21O)C[C@@H]1CC[C@H]2[C@H]3C[C@@H]4O[C@@]5(CCC(C)(C)O5)[C@@H](C)[C@@H]4[C@@]3(C)[C@H](O)C[C@@H]2[C@@]1(C)C7"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5405099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODSMLQCKMVNHCD-ZUFQXEPJSA-N", "SMILES:CC1(C)C[C@H]2[C@@H]3CC=C4C[C@@H](OC5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O"]}
{"name": "Oxysterol-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5465343"], "id": "UniProtKB:Q969R2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRVVKLCNAWNZES-QJUJILNVSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL353882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYHRJWMENCALJY-YSQMORBQSA-N", "SMILES:C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5396576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYHRJWMENCALJY-VICXTREFSA-N", "SMILES:C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL170154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWMKBFJCNLRTC-RNCHBCSGSA-N", "SMILES:CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL171804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWMKBFJCNLRTC-XWXSNNQWSA-N", "SMILES:CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5413783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNAZDWPNWMKTE-CAQMSIDYSA-N", "SMILES:CC(C)CC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZEYPEKTIHKJBL-CAQMSIDYSA-N", "SMILES:CCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGYHMUFCYROHIT-BXADTJMMSA-N", "SMILES:O=C(O)C(F)(F)F.OC[C@H]1N[C@H](CCCCCCCCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHXPVAHXKBRBL-RKQHYHRCSA-N", "SMILES:CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZRBDHKPWRMFAO-QDZNWGKSSA-N", "SMILES:OCCCCCC/C=C\\C[C@H](O)[C@@H](O)[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5401177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPUOUXVXGLGQJ-VGRVOEJLSA-N", "SMILES:OC[C@H]1N[C@H](C(O)CCCCCCC(O)C(O)c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXGPOSIXYJNPY-JMCABQLHSA-N", "SMILES:CC(=O)/C=C/C/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXPQNJUVMCQCNK-PPSMKJHDSA-N", "SMILES:N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)c1cnoc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJWALKABMDOAQJ-WLNPFYQQSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKHDGGVRQREJP-MWTXUKJESA-N", "SMILES:N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)C(F)(F)F)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUQEKOTVDZYMN-RABCQHRBSA-N", "SMILES:N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQAFLAIHZHVOL-WCBJTDJXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGULVEAJHVXHOO-KBCNZALWSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEAASSFDBHSWDX-WLNPFYQQSA-N", "SMILES:CC(C)(C)NC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPDINKBBXBPJN-RABCQHRBSA-N", "SMILES:CC(C)(C)NC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFRIMTVIBGECS-PXQJOHHUSA-N", "SMILES:CC(C)(C)NC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIEYNIFGMNOMED-BJYRRAHNSA-N", "SMILES:CC(C)(C)NC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CC2(CCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIWHQZADUBJOCN-SFOUEXDSSA-N", "SMILES:C=C1CC[C@@](C)([C@H](C)CC(=O)C[C@]2(C(=O)O)C[C@H]3C[C@@H]4[C@@]5(C)CCC[C@@](C)(C(=O)O)[C@@H]5CC[C@]42C=C3C(C)C)[C@@]12CCC1=C2CC[C@@H]2[C@@H]1CCC(=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIWHQZADUBJOCN-HUSGWXKMSA-N", "SMILES:C=C1CC[C@@](C)([C@H](C)CC(=O)C[C@@]2(C(=O)O)C[C@H]3C[C@@H]4[C@@]5(C)CCC[C@@](C)(C(=O)O)[C@@H]5CC[C@]42C=C3C(C)C)[C@@]12CCC1=C2CC[C@@H]2[C@@H]1CCC(=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKZAVNPFFNXAAA-CKZXVAIJSA-N", "SMILES:C=C1CC[C@@](C)([C@H](C)CC(=O)C[C@]2(C(=O)O)C[C@H]3C[C@@H]4[C@@]5(C)CCC[C@@](C)(C(=O)O)[C@@H]5CC[C@]42C=C3C(C)C)[C@@]12CCC1=C2CC[C@@H]2[C@@H]1CC[C@H](O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANUKJVDYLRBBRS-RDRZHMNJSA-N", "SMILES:C=C1CC[C@@](C)([C@H](C)CC(=O)[C@H]2[C@H]3C[C@@H]4[C@@]5(C)CCC[C@@](C)(C(=O)O)[C@@H]5CC[C@]45C(OC(=O)[C@]25C)C3=C(C)C)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URYWXNKWLDYDCH-VNMUYXLPSA-N", "SMILES:CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1C[C@@]3(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@H]1CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFSXOVIJPLUJD-HCCZUOKASA-N", "SMILES:CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1[C@H](C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C4=C(CC[C@]12C)[C@H]1CCC(=O)C(C)(C)[C@@H]1CC4)[C@@]3(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXZNGRKOKFLBFB-HGKGHRIKSA-N", "SMILES:C=C1CC[C@@](C)([C@H](C)CC(=O)[C@H]2[C@H]3C[C@@H]4[C@@]5(C)CCC[C@@](C)(C(=O)O)[C@@H]5CC[C@@]4(C=C3C(C)C)[C@]2(C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXZNGRKOKFLBFB-RHXQWVFTSA-N", "SMILES:C=C1CC[C@@](C)([C@H](C)CC(=O)[C@@H]2[C@H]3C[C@@H]4[C@@]5(C)CCC[C@@](C)(C(=O)O)[C@@H]5CC[C@@]4(C=C3C(C)C)[C@@]2(C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVYWJUNLDGALJ-WMJKLPJUSA-N", "SMILES:C=C1CC[C@@](C)([C@H](C)CC(=O)C[C@](C)(C(=O)O)[C@]2(C(=C)C)C=C3CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]3CC2)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVYWJUNLDGALJ-FCVGKRPMSA-N", "SMILES:C=C1CC[C@@](C)([C@H](C)CC(=O)C[C@@](C)(C(=O)O)[C@]2(C(=C)C)C=C3CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]3CC2)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLWFQKJFLBQGTB-DIRILVDSSA-N", "SMILES:C=C1CC[C@@H]([C@H](C)CC(=O)/C=C(\\C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIIPNDKXZOTLEA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHFKRGILKWWXLR-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c(Nc2cccc(C(F)(F)F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJYIGTLMRFHOGL-KRWDZBQOSA-N", "SMILES:Cc1cccc(Nc2c(C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)n(C)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBJMMNLGZGQHU-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c(Nc2cccc([N+](=O)[O-])c2)c2ccccc2n1C)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BECYWEGXRZKBFI-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c(Nc2cccc(Cl)c2)c2ccccc2n1C)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBJLZNHEYIHTCB-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1C)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFLDMQCXGXKES-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c(Nc2cccc(F)c2)c2ccccc2n1C)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPNWKHVJERWBIT-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c(Nc2ccc(C(F)(F)F)cc2)c2ccccc2n1C)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBJLZNHEYIHTCB-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1c(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1C)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNJDKAZDYEQOZ-OYLFLEFRSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1[C@@H](c1ccccc1Cl)NC2)C[C@@H](C(=O)NC1(c2ccc(Cl)cn2)CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNRAZOAJJFFJIN-VOIUYBSRSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1[C@@H](c1ccccc1Cl)NC2)C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPZLUDNAYIQNE-JLCFBVMHSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1[C@@H](c1ccccc1Cl)NC2)C[C@@H](C(=O)NC1CCC(F)(F)CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTEGZQJJABJPMN-OSPHWJPCSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1[C@H](c1ccccc1Cl)NC2)C[C@@H](C(=O)NCc1ccccc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXVBMXMJYXTVHU-IBYLJOCYSA-N", "SMILES:CCC12CC(NC(=O)[C@@H]3Cc4sc5c(c4C3)[C@H](c3ccccc3Cl)NCc3nnc(C)n3-5)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRSDESIHDZXJNW-HJPURHCSSA-N", "SMILES:CCCN(CCC)C(=O)[C@@H]1Cc2sc3c(c2C1)[C@H](c1ccccc1Cl)NCc1nnc(C)n1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRMVILQRRSCXLX-XOPMFJROSA-N", "SMILES:COc1cc(C(=O)O)cc2c1nc(CN1CCN(c3cccc4c3O[C@@](C)(c3ccc(Cl)cn3)O4)[C@@H]3CC[C@@H]31)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWGQDTBPTGGMKA-FVTUMQTBSA-N", "SMILES:COc1cc(C(=O)O)cc2c1nc(CN1CCN(c3cccc4c3O[C@@](C)(c3ccc(Cl)cc3F)O4)[C@H]3CC[C@@H]31)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWZJLRSQJWDHF-INMXJXNISA-N", "SMILES:COc1cc(C(=O)O)cc2c1nc(CN1CCN(c3cccc4c3O[C@@](C)(c3ccc(C#N)cc3F)O4)[C@@H]3CC[C@@H]31)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOURHFWKOLDIJ-NAOALNEBSA-N", "SMILES:C[C@]1(c2ccc(C#N)cc2F)Oc2cccc(N3CCN(Cc4nc5c(Cl)cc(C(=O)O)cc5n4C[C@@H]4CCO4)[C@H]4CC[C@H]43)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHBYBIQUGREXHG-NAOALNEBSA-N", "SMILES:C[C@]1(c2ccc(C#N)cc2F)Oc2cccc(N3CCN(Cc4nc5c(F)cc(C(=O)O)cc5n4C[C@@H]4CCO4)[C@H]4CC[C@H]43)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWGQDTBPTGGMKA-XOWXHGTASA-N", "SMILES:COc1cc(C(=O)O)cc2c1nc(CN1CCN(c3cccc4c3O[C@@](C)(c3ccc(Cl)cc3F)O4)[C@@H]3CC[C@@H]31)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPBZKBLKRCOOA-NGHPCPEPSA-N", "SMILES:CC(C)[C@@H]1NC(=O)Cn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccccc2)NC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)NC(=O)[C@@H](C(C)C)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPBZKBLKRCOOA-DZWHKMBNSA-N", "SMILES:CC(C)[C@@H]1NC(=O)Cn2cc(nn2)C[C@H](C(N)=O)NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccccc2)NC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)NC(=O)[C@@H](C(C)C)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZQXENQHQCOWJE-NKDIEPNFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)Cn2cc(nn2)CC(C(N)=O)NC(=O)[C@@H](Cc2ccsc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPBZKBLKRCOOA-NOXCEVAXSA-N", "SMILES:CC(C)[C@@H]1NC(=O)Cn2cc(nn2)CC(C(N)=O)NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccccc2)NC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)NC(=O)[C@@H](C(C)C)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUTFRGBESONOOF-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(Cc3cc4ccccc4[nH]c3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIJYPNWIYVWNPU-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(Cc2cc3ccccc3[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFVHNJPKOMEDQT-UHFFFAOYSA-N", "SMILES:N#CC1(c2ccc(Cc3cc4ccccc4[nH]c3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHHLCXGJSGUCN-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(Cc3cc4ccccc4[nH]c3=O)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLZOAIODCWNNG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccccc2cc1Cc1coc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBGKTTWGQJLWEK-UHFFFAOYSA-N", "SMILES:O=C1COc2c(Cl)cc(Cc3cc4ccccc4[nH]c3=O)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCJTWORHFQUKV-UHFFFAOYSA-N", "SMILES:Cn1nnc2cnc3ccc(-c4ccc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMUJDCMWMXTFLD-UHFFFAOYSA-N", "SMILES:CC(C)n1nnc2cnc3ccc(-c4ccc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUWECKLBZJIED-AWEZNQCLSA-N", "SMILES:C[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUWECKLBZJIED-CQSZACIVSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQPYDSBFUGYWSE-ZDUSSCGKSA-N", "SMILES:C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQPYDSBFUGYWSE-CYBMUJFWSA-N", "SMILES:C[C@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELSYHWDRISTOG-ZDUSSCGKSA-N", "SMILES:C[C@@H](c1cccc(F)c1)n1nnc2cnc3ccc(-c4ccc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELSYHWDRISTOG-CYBMUJFWSA-N", "SMILES:C[C@H](c1cccc(F)c1)n1nnc2cnc3ccc(-c4ccc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTWXHLJJHRTCZ-AWEZNQCLSA-N", "SMILES:COc1ccc([C@H](C)n2nnc3cnc4ccc(-c5ccc(N)nc5)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWTVBZEEIPHRJ-CQSZACIVSA-N", "SMILES:COc1cccc([C@@H](C)n2nnc3cnc4ccc(-c5ccc(N)nc5)cc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHTRNZISTLVIJX-NRFANRHFSA-N", "SMILES:CC[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHTRNZISTLVIJX-OAQYLSRUSA-N", "SMILES:CC[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYLHECMFXZNRS-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc3ncc4nnn(Cc5ccccc5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPFKBNKSRWOQT-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4cccnc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNUCNIQUTLBYRJ-CQSZACIVSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccnc(N)c4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJGBILHXWEGON-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVPDBWPMJMNJH-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(O)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUIUGTQNGHLPMP-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(F)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKMDODGZWBXBGH-CYBMUJFWSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4cnc(N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJAAWGXDKGICPZ-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4cnc(N(C)C)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUCSHWKNLORDIL-CQSZACIVSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(F)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUYAWKCZWVWGW-CQSZACIVSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(Cl)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAZSJLADJQDRK-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(C#N)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMKITFGWLVCDGA-CQSZACIVSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(C(F)(F)F)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVGIWHIBRFUTQZ-OAHLLOKOSA-N", "SMILES:CC(=O)Nc1ccc(-c2ccc3ncc4nnn([C@H](C)c5ccccc5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGSGRVXLXQEXCR-CQSZACIVSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(O)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSQCAZXKTTWPSQ-OAHLLOKOSA-N", "SMILES:COc1ccc(-c2ccc3ncc4nnn([C@H](C)c5ccccc5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REMFELHDVWMAHY-MRXNPFEDSA-N", "SMILES:Cc1ccc(-c2ccc3ncc4nnn([C@H](C)c5ccccc5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKSRPXPRXVRKE-GOSISDBHSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N5CCCC5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEIJASLOONXSGU-LJQANCHMSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPXRJYMKKXVLF-JOCHJYFZSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(OCCCN5CCCCC5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHYQRNBEKKGTBY-OAQYLSRUSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(OCCCN5CCCC5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAMADIYUOKOBJG-JOCHJYFZSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(OCCCN5CCN(C)CC5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAHMZYOZNYFPKN-LJQANCHMSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMZJIXIAGPLROW-GOSISDBHSA-N", "SMILES:CNCCCOc1ccc(-c2ccc3ncc4nnn([C@H](C)c5ccccc5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLHWYAWHGHMOO-HXUWFJFHSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(OCCCCN(C)C)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKNRAKZMXPZJX-GOSISDBHSA-N", "SMILES:C[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(OCCN(C)C)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFCUZUQYIVBVPE-INIZCTEOSA-N", "SMILES:CC(=O)Nc1ccc2cc(C(=O)N[C@H](C(=O)Nc3nccs3)C(C)C)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOWYFNSUXHAORU-AWEZNQCLSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5308000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBZIZPTHFPYRA-UHFFFAOYSA-N", "SMILES:CC(C)C(NC(=O)c1cccs1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBZIZPTHFPYRA-JTQLQIEISA-N", "SMILES:CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDEHXPGHWQYYKF-AWEZNQCLSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEZVCQCZDDYJLD-ZDUSSCGKSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nccs1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUSNFUVOVTUYBN-JTQLQIEISA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDMEWYLVBCZOO-ONGXEEELSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJGWUBNPTFKRSO-DIFFPNOSSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nc(C)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNWVLIMNIRKJPW-LBPRGKRZSA-N", "SMILES:CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNAKHALRQGUPRO-VIFPVBQESA-N", "SMILES:CC(C)[C@H](NC(=O)c1ncccn1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYLZHIZBPBFPL-JTQLQIEISA-N", "SMILES:CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVJBQGWWILNEP-QMMMGPOBSA-N", "SMILES:CC(C)[C@H](NC(=O)c1ncc[nH]1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFHNUYZOTZYFCC-QMMMGPOBSA-N", "SMILES:CC(C)[C@H](NC(=O)c1nccs1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYSFDDYQLTUFCD-SNVBAGLBSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKMKYPAYORLQBU-QMMMGPOBSA-N", "SMILES:CC[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVMPFWYPLJIEOS-VIFPVBQESA-N", "SMILES:CCC[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVPOSDXOGZJHQQ-JTQLQIEISA-N", "SMILES:CCCC[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDLSMYFOANCKAU-LBPRGKRZSA-N", "SMILES:Cc1nc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)sc1C"]}
{"name": "Heat shock 70 kDa protein 6", "xref": ["CHEMBL.TARGET:CHEMBL3232688"], "id": "UniProtKB:P17066", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRXGZFKWTWLPGJ-ICUBTYBPSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cc2cc(-n3nnc4c3-c3ccccc3N(C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)c3ccc(C5c6ccc(N)cc6OC6=CC(=N)C=CC65)c(C(=O)O)c3)Cc3ccccc3-4)ccc2[nH]1)C(=O)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGDASCALCDOQH-UHFFFAOYSA-N", "SMILES:Brc1cncc(-c2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL80094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQWXEEDCMLEVHU-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nn[nH]n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL72683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFBMDWHEHETJW-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc3ccccc3[nH]2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIYHYSTYCCJOJW-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3ccccc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVVTXFNPRNRRC-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3ccc(C#N)cc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFLHGZMCGAKAI-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3ccc(F)cc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZYABOQFTIASPA-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3nccc(NCc4cccnc4N(C)S(C)(=O)=O)n3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJFJOKODBBMBI-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2[nH]c(-c3nccc(NCc4cccnc4N(C)S(C)(=O)=O)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGDNLICEQEGEW-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3nccc(NCc4cccnc4N(C)S(C)(=O)=O)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCWGMSYYWUEJO-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3cc(F)cc(F)c3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTPSTJVKUBPGA-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3cc(Cl)ccc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZBLNIVOGDOJH-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3cc(Cl)c(F)cc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOBOOXEUHHHIB-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3cc(Cl)cc(F)c3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSEPBTKMKCSLRW-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3cc(F)cc(Cl)c3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBGRYFDROXGQGJ-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3cc(F)c(F)cc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFJDKLBAAHKIL-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3c(F)c(Cl)ccc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPUMZVWYBKZHD-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3cc(N4CCOCC4)ccc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTOYMUXELJMTQW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc3nc(-c4nccc(NCc5cccnc5N(C)S(C)(=O)=O)n4)[nH]c3cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHJRTYLEEZPFLY-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3cc(-c4cnn(C)c4)ccc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNVPRIZIWGZTEE-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2nc3cc(Cl)ccc3n2C)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXPKETFTEJOGJZ-UHFFFAOYSA-N", "SMILES:CN(Cc1cccnc1N(C)S(C)(=O)=O)c1ccnc(-c2nc3cc(Cl)ccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPQVHWVHICSFLT-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1cccc(-c2nc3cc(Cl)ccc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCJBCPNAXWXMKR-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(-c2nc3cc(Cl)ccc3[nH]2)ncc1Br)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKNPWYHXQYIKX-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1Cn1ccc2cnc(-c3nc4cc(Cl)ccc4[nH]3)nc21)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOOVHLYHHEEPZ-UHFFFAOYSA-N", "SMILES:Cc1cc2cnc(-c3nc4cc(Cl)ccc4[nH]3)nc2n1Cc1cccnc1N(C)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVHBABQYLQVCFE-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1Cn1ccc2cnc(-c3nc4cc(Cl)ccc4[nH]3)cc21)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXAVRMOXZMBKGE-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(-c2cc3cc(Cl)ccc3[nH]2)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXRUXZXHFOKHJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3cc(F)c(F)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNROEDWXRIKBIY-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Br)c(Br)cc3n2C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGUJUQFQWHCYGU-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3ccc(Cl)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOHBPIBEVHBLX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccc(Cl)cc3n2C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXSWWIXWUKYBB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccc(Cl)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTDZZNVLKPPMA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccc(Br)cc3n2C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDPHRRYASMTKEP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccc(Br)cc3n2C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBNGZUFXCJDGSF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Cl)ccc3n2C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMSFPIYQSBVESI-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Br)ccc3n2C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUOCHKDKIYBOCX-KRWDZBQOSA-N", "SMILES:CC1=C(C(=O)OC(C)C)[C@H](c2ccco2)n2c(nc3cc(F)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWTVWGCSUMSFNE-KRWDZBQOSA-N", "SMILES:CC1=C(C(=O)OC(C)C)[C@H](c2ccco2)n2c(nc3cc(Cl)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGWPZMPWZMOAM-KRWDZBQOSA-N", "SMILES:CC1=C(C(=O)OC(C)C)[C@H](c2ccoc2)n2c(nc3cc(Cl)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGWPZMPWZMOAM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3cc(Cl)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MISOEBQUFLOPOI-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3cc(Br)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGWPZMPWZMOAM-QGZVFWFLSA-N", "SMILES:CC1=C(C(=O)OC(C)C)[C@@H](c2ccoc2)n2c(nc3cc(Cl)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBQBSFQLQWBPDS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Cl)ccc3n2C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RODVKHYTZDTILT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3ccc(Cl)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCQFOCMVHSYSL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccc(Cl)cc3n2C1c1cocn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAACPROIKGSQEL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDWNLPRFWUXVCV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVPPUYGSPNIDQH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3ccccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWNFGSHYXMLWFM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUINPKHJLSSVHN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3ccccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3785618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCVFFDEURQUBC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLDPOALIHQWAGV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLOQWUULAWDOK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cocn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIVUUFIGSWFFX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cocn2)n2c(nc3ccccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUUIGPQWHRISS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(F)c(F)cc3n2C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKBEAWRQCINLP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3cc(F)c(F)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVHMEJRGZVLQJG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(F)c(F)cc3n2C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPXMBOJFMDAWAE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3cc(F)c(F)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMOGAOCFSYUPKK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(F)c(F)cc3n2C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTEMSUVZVZGWRT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3cc(Cl)c(Cl)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGXTYYUIPAQKCC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Cl)c(Cl)cc3n2C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWTHGGXURKLLJR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3cc(Cl)c(Cl)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAGXWJUKAROLCR-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3cc(Br)c(Br)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATXNEDCUYXBENQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccc(F)cc3n2C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVBPPOFEBOKAC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3ccc(F)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUNBFOWUCFEIFK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccc(F)cc3n2C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLAFDUCRGWWUOJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3ccc(F)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJQZOFDYIGGNGE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccc(F)cc3n2C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIPJFVIDQHYBGZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccc(F)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROXJXESKVKDVME-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccc(Cl)cc3n2C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQGKNGQSIRUNDE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3ccc(Br)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPPBSKDSOOSKZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccc(Br)cc3n2C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZNYGLIKEYHFRK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(F)ccc3n2C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUOCHKDKIYBOCX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3cc(F)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCVMJLPHCLUWDR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(F)ccc3n2C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIWLZBJVTXVOHS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3cc(F)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDZOXIFXCSYJJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(F)ccc3n2C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKMINFBVWPOYHB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3cc(F)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSHBGJSQCVMWEP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(F)ccc3n2C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URIVIRPJLPJKSN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3cc(F)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMLEXHCMLJSTP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Cl)ccc3n2C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWTVWGCSUMSFNE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3cc(Cl)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAALCNCHJWAQNZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3cc(Cl)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQKUNHPKSLAED-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Cl)ccc3n2C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGJCJAHOVYGIH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3cc(Cl)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLAGTRAWFFPWEU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Br)ccc3n2C1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLEXZAGDQOLXRC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccco2)n2c(nc3cc(Br)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOYIMLAIKUKRK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Br)ccc3n2C1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRTPZEWJFFUPHN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3cc(Br)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPISKHOAZNGCKQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Br)ccc3n2C1c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKOCZLDZBRAOMT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3cc(Br)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCGIKTYIENDDPC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3ccc(F)cc3n2C1c1cocn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWIRTJBGIFKIT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cocn2)n2c(nc3ccc(F)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWEQMKBIHPAQOL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cocn2)n2c(nc3ccc(Cl)cc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIRZOVXRCGQNG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(F)ccc3n2C1c1cocn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACCHGNAJZQGCTG-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cocn2)n2c(nc3cc(F)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVBWAVPOXJKEF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Cl)ccc3n2C1c1cocn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKNLSBTEAJUDF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OC(C)C)C(c2cocn2)n2c(nc3cc(Cl)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHLRBMDXQBOIB-QGZVFWFLSA-N", "SMILES:CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)n2c(nc3ccccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUOCHKDKIYBOCX-QGZVFWFLSA-N", "SMILES:CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)n2c(nc3cc(F)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWTVWGCSUMSFNE-QGZVFWFLSA-N", "SMILES:CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)n2c(nc3cc(Cl)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLEXZAGDQOLXRC-QGZVFWFLSA-N", "SMILES:CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)n2c(nc3cc(Br)ccc32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOYIMLAIKUKRK-MRXNPFEDSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Br)ccc3n2[C@@H]1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVBWAVPOXJKEF-OAHLLOKOSA-N", "SMILES:CCOC(=O)C1=C(C)Nc2nc3cc(Cl)ccc3n2[C@@H]1c1cocn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHISTVNZVIHZLD-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFDWKLQGDBMEZ-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccc([N+](=O)[O-])c2nonc12)N1CCN(S(=O)(=O)c2ccc(NC(=S)NCc3cccnc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMARPOKRBUHXRU-UHFFFAOYSA-N", "SMILES:O=C(CCNc1ccc([N+](=O)[O-])c2nonc12)N1CCN(S(=O)(=O)c2ccc(NC(=S)NCc3cccnc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL311300", "category": ["biolink:ChemicalEntity"], "name": "PELDESINE", "xref": ["InChIKey:DOHVAKFYAHLCJP-UHFFFAOYSA-N", "SMILES:Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1"], "synonym": ["Peldesine", "Peldesina", "Peldesine", "BCX-34", "Peldesine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5419164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SORMMMHQQMQOQP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1NC(=O)Cn1c(=S)n(-c2ccccc2)c(=O)c2cc(C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXGTWXOKMIGRY-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccccc1NC(=O)Cn1c(=S)n(-c2ccccc2)c(=O)c2cc(C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPESXOLPFWKPKN-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(NC(=O)Cn2c(=S)n(-c3ccccc3)c(=O)c3cc(C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUHXMHJNHRURTA-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(=O)n(-c1ccccc1)c(=S)n2CC(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAFVWTFTGZCDRU-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cn2c(=S)n(-c3ccccc3)c(=O)c3cc(C)ccc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIOOXFHFQRRGL-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cn2c(=S)n(-c3ccccc3)c(=O)c3cc(C)ccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYDOAKHFNMICSA-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cn2c(=S)n(-c3ccccc3)c(=O)c3cc(C)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVZSAPZJANGBP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccc(C)cc2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYLXURSDBJSGW-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccccc1NC(=O)CSc1nc2ccc(C)cc2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVRRCHGNYFEJB-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(NC(=O)CSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZJFZNFACNAUPJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(SCC(=O)NCCc3ccccc3)n(-c3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPIYIKRTFSARKN-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHJHRRRVJSNIV-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUVYJOWTJYWTE-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOHOEIOJJNTGGU-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc3cc(NC(=O)C4CC4)ncc3c(N)c2F)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFHFQBQEYPRIF-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4ccccn4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXLFPZUJLRWHG-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4cccnc4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFCHRCFNUNXRNT-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4ccncc4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMTUANACAFKGCH-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4ccn(C)n4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KABXTOSOJYVBHL-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4cnn(C)c4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COOKVABLJWVLSL-UHFFFAOYSA-N", "SMILES:CCn1ccc(Nc2ncc3c(N)cc(-c4cnc5c(c4C)NCCO5)cc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZXCMDCBYNHJBF-UHFFFAOYSA-N", "SMILES:CCn1cc(Nc2ncc3c(N)cc(-c4cnc5c(c4C)NCCO5)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGFGTLLFFBFTAO-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1Nc1ncc2c(N)cc(-c3cnc4c(c3C)NCCO4)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVMXLEGZGCDXJL-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4cc(C)n(C)n4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOLPUDMAJRBBB-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4cnn(C)c4C)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEKBWCJTSQBREW-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4cnn(C5CC5)c4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJAEVAMVHQVMI-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4cnn(C(C)C)c4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYPMMABTUJQXDR-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2cccnc2)cc2nc(Nc3cnn(C4CC4)c3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECDAAQRUZGFPV-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cc(N)c2cnc(Nc3cnn(C4CC4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUHSPIUVGXVAK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(N)c3cnc(Nc4cnn(C5CC5)c4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWULSQVAFPROQA-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4cnn(C5CC5)c4)nc3c2)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLNFVCGVOXIZHV-UHFFFAOYSA-N", "SMILES:Nc1cncc(-c2cc(N)c3cnc(Nc4cnn(C5CC5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONQDGBWCSKPPBQ-UHFFFAOYSA-N", "SMILES:Cc1c(N)cncc1-c1cc(N)c2cnc(Nc3cnn(C4CC4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJUJKAJLFFWBI-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4ccccc4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOVOUNUUSDZGNV-UHFFFAOYSA-N", "SMILES:CNCc1cccc(Nc2ncc3c(N)cc(-c4cnc5c(c4C)NCCO5)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZKOIQBVCFCUIV-UHFFFAOYSA-N", "SMILES:CNCc1ccc(Nc2ncc3c(N)cc(-c4cnc5c(c4C)NCCO5)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTTCAXFHAZOKBW-UHFFFAOYSA-N", "SMILES:CNCCc1cccc(Nc2ncc3c(N)cc(-c4cnc5c(c4C)NCCO5)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQPNQKXOBWWBCX-UHFFFAOYSA-N", "SMILES:CNCCc1ccc(Nc2ncc3c(N)cc(-c4cnc5c(c4C)NCCO5)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAIVDWIDLZMCMC-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4ccc5c(c4)CNCC5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORNVTMIBZOUHRR-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4ccc5c(c4)CCNC5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEWPBKIDOPFCF-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4ccc5c(c4)CN(C)CC5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWIAVSRWTBLKFM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4ccc5c(c4)CCN(C)C5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCHXKYDDXPTBDH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(-c4cnc5c(c4C)NCCO5)cc3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCPITYATCIOTSY-UHFFFAOYSA-N", "SMILES:CCN1CCc2ccc(Nc3ncc4c(N)cc(-c5cnc6c(c5C)NCCO6)cc4n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYJHUFMLNUUDJ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(N)c3cnc(Nc4ccc5c(c4)CN(C(C)C)CC5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOSCPISVZHXXCE-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2cc(N)c3cnc(Nc4cnn(C5CC5)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBNULWERPESDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(N)c3cnc(Nc4cnn(C5CC5)c4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPTTUQPXPJBPAU-UHFFFAOYSA-N", "SMILES:N#Cc1ccncc1-c1cc(N)c2cnc(Nc3cnn(C4CC4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXJABNOBAPMOL-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cc(N)c2cnc(Nc3cnn(C4CC4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZZZUFWAQTADL-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(N)c3cnc(Nc4cnn(C5CC5)c4)nc3c2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCJXICBSDBYCS-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCSSCCN(CC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C(=O)CCCCC(=O)N5CCC(c6cc(OC(C)C)c(Nc7ncc(Cl)c(Nc8ccccc8S(=O)(=O)C(C)C)n7)cc6C)CC5)CC4)cn3)nc2n(C2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZQIBUGAPAWBW-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCSSCCN(CC(=O)NCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C(=O)CCCCCCC(=O)N5CCC(c6cc(OC(C)C)c(Nc7ncc(Cl)c(Nc8ccccc8S(=O)(=O)C(C)C)n7)cc6C)CC5)CC4)cn3)nc2n(C2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSOJCEHKQVDULQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)CCCCCCC(=O)N(CCS)CC(=O)NCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHOAALQIDIJQAK-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCS)CC4)cn3)nc2n(C2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBFJVFAVERSUCK-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)F)c(-c2nc(C3=CCOCC3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCNRISJODHPNN-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)F)c(-c2nc(C3CCOCC3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJNDDNNHXCTUFX-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2nc(C3=CCOCC3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYNTGJKUHAFPH-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)c(-c2nc(C3CCOCC3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRLWAVVAMANIIJ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(C3=CCOCC3)nc(N3CCOCC3)n2)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBULMVJCNFOSIE-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(C3CCOCC3)nc(N3CCOCC3)n2)c(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJIXENZXPLVOOX-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(C3=CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWDBLSGHGKZJCW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(C3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUFWZRUSCCHRNT-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(C3=CCOCC3)nc(N3CCOCC3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEIJJFILWGGRDR-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(C3CCOCC3)nc(N3CCOCC3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNBIOJIKHSPDS-UHFFFAOYSA-N", "SMILES:Nc1cnc(-c2nc(C3=CCOCC3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPQQWBJDQOFQX-UHFFFAOYSA-N", "SMILES:Nc1cnc(-c2nc(C3CCOCC3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTQVHVPESHFEQI-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(C2=CCOCC2)nc(-c2cnc(N)cc2C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFJJIRCSCARUHB-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(C2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTQVHVPESHFEQI-NSHDSACASA-N", "SMILES:C[C@H]1COCCN1c1nc(C2=CCOCC2)nc(-c2cnc(N)cc2C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFJJIRCSCARUHB-NSHDSACASA-N", "SMILES:C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(C2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHURFUXJWKFHIA-TXEJJXNPSA-N", "SMILES:C[C@@H]1COC[C@H](C)N1c1nc(C2=CCOCC2)nc(-c2cnc(N)cc2C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZOICGYBKAMBW-TXEJJXNPSA-N", "SMILES:C[C@@H]1COC[C@H](C)N1c1nc(-c2cnc(N)cc2C(F)F)nc(C2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGYOUDTDJWTRW-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)F)c(-c2nc(C3=CCOCC3)nc(N3C4CCC3COC4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLTVVPNBXNLLG-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)F)c(-c2nc(C3CCOCC3)nc(N3C4CCC3COC4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNFQLTOJJMPMQQ-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)F)c(-c2nc(C3=CCOCC3)nc(N3CCCCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLHGPALQKMSBLS-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)F)c(-c2nc(C3CCOCC3)nc(N3CCCCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKZHQQWAMITQK-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWTZAAKFJIMME-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWXGFNDIVHNCQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1=C(c2cn(CCCn3ccnc3)c3ccccc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJULGRGRPPYET-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(c2cn(CCCn3ccnc3)c3ccccc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIHUPOFQMLIJD-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNEFTZVVRHUDCJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(c3cn(CCCn4ccnc4)c4ccccc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCAXWRPRPNOKEX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3cn(CCCn4ccnc4)c4ccccc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCOMEARBCCICIH-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZPGNYIWXSWCMY-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFIBMVZVMWICP-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJMOSLQGZHACR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(C1=C(c3ccccc3[N+](=O)[O-])C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWUCSHHYKWIRU-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(C1=C(c3ccccc3C)C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKTLOCWPOUPTFL-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(c2cn(CCCn3ccnc3)c3ccc(C)cc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSWBYFGGCZBLFT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(C1=C(c3ccccc3F)C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMITAIAXNUMQA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(c3cn(CCCn4ccnc4)c4ccc(C)cc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCOYFBDJNEPLA-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3cn(CCCn4ccnc4)c4ccc(C)cc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOGHCYTWOTXDMI-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(C1=C(c3ccc(F)cc3)C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWNVOOFLPYYIO-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(C1=C(c3ccc4ccccc4c3)C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLUDZYWMVYQLKO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1=C(c3ccccc3[N+](=O)[O-])C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOFOQHPXWTILH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1=C(c3ccccc3C)C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCKBBBQMDVNHJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1=C(c3ccccc3OC)C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWBYCUDFZKBMV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1=C(c3ccccc3F)C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNKFGJUFZTKLJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1=C(c3ccc(C)cc3)C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVCPRHFJGTGJH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3cn(CCCn4ccnc4)c4ccc(OC)cc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUFXHPCDFRAAM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1=C(c3ccc(F)cc3)C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIGHSDDZCXCHH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C1=C(c3ccc4ccccc4c3)C(=O)NC1=O)cn2CCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUTHADVZPRSDDR-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)=C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBYIKGGORZOAB-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)=C1c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEHOXFWYRBEKDH-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)=C1c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SURRMLUEHMRCOD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1=C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIUZWNWLXWXYTH-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKQOPAYJYQUXTG-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)=C1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBVULBXUWAWHN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(c3cn(CCCn4ccnc4)c4ccc(Br)cc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKWYRXQWVBQQH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3cn(CCCn4ccnc4)c4ccc(Br)cc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTSSETZHOUFALL-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)=C1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRKYLDWDRUXOJS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(C2=C(c3cn(CCCn4ccnc4)c4ccc(Br)cc34)C(=O)NC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDDJQCMRZYBBBI-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)=C1c1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWMYJBSGSTGDX-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3cn(CCCn4ccnc4)c4ccc(Br)cc34)C(=O)NC2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMSSVDPDTGWQMT-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)=C1c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEYJYPNBUVNGGI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C2=C(c3cn(CCCn4ccnc4)c4ccc(Br)cc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQPLSRXKNYIIPW-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)=C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKUBSIIKJVKQP-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccc(Br)cc23)=C1c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCZMMRTMFKVTL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C3=C(c4ccccc4[N+](=O)[O-])C(=O)NC3=O)cn(CCCn3ccnc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKMKNKLWSHSJH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(c3cn(CCCn4ccnc4)c4cc(C)ccc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTGIXMKCDNJZBK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3cn(CCCn4ccnc4)c4cc(C)ccc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFSPRNYQRIANF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C3=C(c4ccc5ccccc5c4)C(=O)NC3=O)cn(CCCn3ccnc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKYWDWYPVHPBJU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C3=C(c4ccccc4F)C(=O)NC3=O)cn(CCCn3ccnc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUKDEXJMNPIOD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1=C(c2cn(CCCn3ccnc3)c3cc(Br)ccc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEUTVDUFNXQBQW-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(c2cn(CCCn3ccnc3)c3cc(Br)ccc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJMSWKTWAEGHF-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3cc(Br)ccc23)=C1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRBGBAQCBAQAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(c3cn(CCCn4ccnc4)c4cc(Br)ccc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHQFQDRZSQPHFR-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3cn(CCCn4ccnc4)c4cc(Br)ccc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKGCJRCRCKMLO-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3cc(Br)ccc23)=C1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBUNHVWDPCICN-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3cc(Br)ccc23)=C1c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFOQUGFDHQVOGR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2NCCCn2ccnc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NITFXIODRALALB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIRNJINLNNGTJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQMKLDNZGHRIKR-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)C3CCCCC3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSOGVWPVRRTJBG-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)c3ccccc3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWQLFVHJFJFYFK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2c(O)ccc3c(C)cc(=O)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRQEGOVRLXFDJ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCHJNXKGAIFNI-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)c3ccc(Cl)cc3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHRFFYTZXZSYFI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2c(O)ccc3c(C)cc(=O)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLJEAMEHOXBTC-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)c3ccc(Cl)c(Cl)c3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNIWPSFDONHOFG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2c(O)ccc3c(C)cc(=O)oc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWXBKQTLRGCHF-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)c3cccnc3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFMRAGYAQUWFI-JXMROGBWSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)/C=C/c3ccccc3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFLDPAGWLIJCM-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)OC(C)C)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVFSUSSAWVCYML-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)OCCl)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JASPSHNUZUKXPH-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)OCc3ccccc3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWNKTSAZOHQQV-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)c3ccco3)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAMPUFOZCVZKHK-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEKACIKATKDBTL-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)C(C)C)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZMHMJDTUSVLM-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)CCl)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXVIFRRDFWNRDS-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2c(NC(=O)CC(C)(C)C)c(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCDGTAWSUGTBW-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2c(O)ccc3c(C)cc(=O)oc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTWJTXPROEOEW-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCNFQSJXMFVKO-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(C(=O)c3cc4cc(NS(C)(=O)=O)ccc4[nH]3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPIXXUFMCVLGQC-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccnc(NC3CCN(C(=O)c4cc5cc(NS(C)(=O)=O)ccc5[nH]4)CC3)n2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGINKRJKWPFSSU-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ccnc(NC2CCN(C(=O)c3cc4cc(NS(C)(=O)=O)ccc4[nH]3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYASWAJWQIJRIM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(Oc2ccnc(NC3CCN(C(=O)c4cc5cc(NS(C)(=O)=O)ccc5[nH]4)CC3)n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJRGZLKJVHXIES-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5ccc(Br)cc5F)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBTBOLCMAAFURS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ccnc(NC2CCN(C(=O)c3cc4cc(NS(C)(=O)=O)ccc4[nH]3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORBLFDZGYGUCP-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ccnc(NC3CCN(C(=O)c4cc5cc(NS(C)(=O)=O)ccc5[nH]4)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEWFZPPEAQBOM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5cccc(C#N)c5)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBFKOZREYHFJT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5ccc(C#N)cc5)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEDBUNSTDIRIM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5ccccc5Cl)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCKQULVDJDBFK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5cccc(Cl)c5)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFNRWYAGSAXHG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5ccc(Cl)cc5)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQFDDMSXWPHPX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5ccccc5Br)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYMBAOSKVNHRC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5cccc(Br)c5)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXWNPWSLYCGFLB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5ccc(Br)cc5)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZWZNVMQHZSHU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5cccc(F)c5)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZSLGAJYCZUZFL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5cccc(C(F)(F)F)c5)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLUEUAWJCWQHN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCC(Nc4nccc(Oc5ccc(C(F)(F)F)cc5)n4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWBYXLKQSLVGM-OAHLLOKOSA-N", "SMILES:COc1ncccc1-c1cnc2ccc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOKSAIBZRRENOA-OAHLLOKOSA-N", "SMILES:COc1ncccc1-c1cnc2ccc(N3CC[C@@H](N(C)C(=O)OC(C)C)C3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUQAHBLEGDXXKS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCROYCGFZTPSQ-QVNZHNTOSA-N", "SMILES:[3H]CC([3H])(C[3H])C([3H])[C@H](N)COc1ccc2c(c1)[nH]c(=O)c1cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQMXEZIHZRSBOY-NRFANRHFSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)COc1cc(OC[C@@](C)(N)CC(C)C)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHGJZLIDSCRZHB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)NC(=O)C2C(Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZFSFOOLUUIGY-OALGXETFSA-N", "SMILES:COC(=O)[C@@]1(O)C[C@@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5435401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGUUDPJCTHCJOY-LYSHECOTSA-N", "SMILES:COC(=O)[C@@]1(O)[C@@H](C)[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEGOWIRIEQPNAE-UHFFFAOYSA-N", "SMILES:Br.Cc1ccc(S(=O)(=O)NCc2cccc(CNC(=N)c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAWSCTADYOOLKV-UHFFFAOYSA-N", "SMILES:Br.Cc1ccc(S(=O)(=O)NCc2cccc(CNC(=N)c3ccc(Cl)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICVMTGUYJMTPIW-UHFFFAOYSA-N", "SMILES:Br.Cc1ccc(S(=O)(=O)NCc2cccc(CNC(=N)c3ccc(C(F)(F)F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSLEIYROAWWOI-UHFFFAOYSA-N", "SMILES:Br.N=C(NCc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVDKAAJEGABBID-UHFFFAOYSA-N", "SMILES:Br.N=C(NCc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOBWACQAESCWPK-UHFFFAOYSA-N", "SMILES:Br.N=C(NCc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUCGTAHVTSLECR-UHFFFAOYSA-N", "SMILES:Br.N=C(NCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPQQASDUYPNUAM-UHFFFAOYSA-N", "SMILES:Br.N=C(NCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1"]}
{"name": "Nitric oxide synthase 3", "xref": ["CHEMBL.TARGET:CHEMBL4802"], "id": "UniProtKB:P29473", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWJKANXFYJKHN-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cc(C(=O)NCCO)cc(C(=O)NCCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWAQXDUQALWOS-UHFFFAOYSA-N", "SMILES:CCCN1CCC(CNC(=O)c2cc(C(=O)NCCO)cc(C(=O)NCCO)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTNDGLFWCZMMSF-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cc(C(=O)NCCO)cc(C(=O)NCC2CCN(CC3CCCCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQVGKDWCJZPQEE-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cc(C(=O)NCCO)cc(C(=O)NCCN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUXYVBPLPXBOPG-AWEZNQCLSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4nn(C)cc4c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBBCEYPDVXIOOB-HNNXBMFYSA-N", "SMILES:CCn1ncc2cc(C(=O)Nc3ccc4[nH]c(CN5CCC[C@@H]5C)nc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACXBMPHDZJWALT-HNNXBMFYSA-N", "SMILES:CCn1cc2cc(C(=O)Nc3ccc4[nH]c(CN5CCC[C@@H]5C)nc4c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGNAEQRUQACNC-KRWDZBQOSA-N", "SMILES:CCCCn1ncc2cc(C(=O)Nc3ccc4[nH]c(CN5CCC[C@@H]5C)nc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQNNRGEPFEKOU-KRWDZBQOSA-N", "SMILES:CCCCn1cc2cc(C(=O)Nc3ccc4[nH]c(CN5CCC[C@@H]5C)nc4c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJUIYHVYSLNJBC-KRWDZBQOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4nn(C5CCCC5)cc4c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRDNXGARDLOAQ-SFHVURJKSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4nn(CCNC(=O)OC(C)(C)C)cc4c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXYSMIBNSIGHEG-HNNXBMFYSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4CCN)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPYLGGZXGLMMIU-HNNXBMFYSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4nn(CCN)cc4c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKGWIMIIHYNGU-IBGZPJMESA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4CCN4CCOCC4)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADSFNXGUFKCPJS-FQEVSTJZSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4CCNC(=O)c4ccccc4)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXMCDDXHVRJJX-NRFANRHFSA-N", "SMILES:Cc1ccccc1C(=O)NCCn1ncc2cc(C(=O)Nc3ccc4[nH]c(CN5CCC[C@@H]5C)nc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCHSQNEJRWCLM-IBGZPJMESA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4CCNC(=O)Nc4cccc(F)c4)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPRCIFXQRKNHB-YABMJKKOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4CCN4CC5OC(C)(C)OC5C4C4COC(C)(C)O4)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZQFOCDERGWNU-BUTCXJIVSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4CCN4CC(O)C(O)C4C(O)CO)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZREOKCDUEMEKEP-YMHBYQSDSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)N3C(CO)C(O)C(O)C3CO)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPCKODIYDHOATD-ZDUSSCGKSA-N", "SMILES:Cc1noc2ccc(C(=O)Nc3ccc4[nH]c(CN5CCC[C@@H]5C)nc4c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTSAMYRPQGZLFD-ZDUSSCGKSA-N", "SMILES:Cc1noc2cc(C(=O)Nc3ccc4[nH]c(CN5CCC[C@@H]5C)nc4c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNMBANSUOLDTB-ZDUSSCGKSA-N", "SMILES:Cc1nnc2ccc(C(=O)Nc3ccc4[nH]c(CN5CCC[C@@H]5C)nc4c3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQVRZKNTQZGFC-KRWDZBQOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c5ccccc5n(C)c4c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCTWWXZPDOYAIL-KRWDZBQOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(c3)c3ccccc3c(=O)n4C)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDQWOLBCFLKFJ-SFHVURJKSA-N", "SMILES:Cc1cccc2c(=O)n(C)c3ccc(C(=O)Nc4ccc5[nH]c(CN6CCC[C@@H]6C)nc5c4)cc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPIWYJOIYNRMW-INIZCTEOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(c3)c3cc(F)ccc3c(=O)n4C)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNABVKXZAICMSN-KRWDZBQOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c5ccccc5c(=O)n(C)c4c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXWPNGPCPDMIT-KRWDZBQOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4C4CCCC4)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMOGIZLWNRZLOL-SFHVURJKSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4CCNC(=O)OC(C)(C)C)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHCKQJYEZHPNE-QFIPXVFZSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4CCNC(=O)Nc4ccc(C(C)(C)C)cc4)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANRJFFWSCBXRI-YVRWSNOCSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4CCN4C5COC(c6ccccc6)OC5C5OC(c6ccccc6)OCC54)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACPMUOGDWBCFSE-HNNXBMFYSA-N", "SMILES:Cc1noc(C)c1-c1ccc(C(=O)Nc2ccc3[nH]c(CN4CCC[C@@H]4C)nc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYPSSGSWNVNPI-INIZCTEOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(c3)[nH]c3ccccc34)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWMAFWVPXGVWDJ-HNNXBMFYSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4[nH]c(=O)c5ccc(F)cc5c4c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKHOLSSAQEURQ-KRWDZBQOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3cccc4c3c3ccccc3c(=O)n4C)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEDIAJVMVGNUKA-QEJZJMRPSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)c1cnco1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULECAFJCVWFHSA-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCN(C(=O)c2ccco2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYISIPABXJVOQ-AWEZNQCLSA-N", "SMILES:C[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVAMTJLXRMVTBI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(CN4CCCCC4)nc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMTWAPXRJMXCC-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC1)c1ccc2nc(-c3cccc(NS(=O)(=O)NCCN4CCCCC4)c3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUPGKVJERVDPBD-UHFFFAOYSA-N", "SMILES:CCCCCNc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXYSTZAARGWQA-UHFFFAOYSA-N", "SMILES:CCCCCCNc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBCLHYJCFDNEM-UHFFFAOYSA-N", "SMILES:CCCCCCCNc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBDWGBYKZFTOZ-UHFFFAOYSA-N", "SMILES:CCCCCNc1ccc(Br)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQIWJRMEXFERBN-UHFFFAOYSA-N", "SMILES:CCCCCNc1ccc(-c2ccccc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCIQAQAJXPJBB-UHFFFAOYSA-N", "SMILES:CCCCCCNc1ccc(-c2ccccc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQVHYBNFRHDNKQ-UHFFFAOYSA-N", "SMILES:CCCCCCCNc1ccc(-c2ccccc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNIOIENDLUWWSF-UHFFFAOYSA-N", "SMILES:CCCCCNc1ccc(-c2cccnc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTBIXNGRHXVAQ-UHFFFAOYSA-N", "SMILES:CCCCCCNc1ccc(-c2cccnc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSSNNZIPVJRYCN-UHFFFAOYSA-N", "SMILES:CCCCCNc1ccc(-c2cccs2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFILLUXXOYWRMQ-UHFFFAOYSA-N", "SMILES:CCCCCCNc1ccc(-c2cccs2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVQMCDPFYRHOSJ-UHFFFAOYSA-N", "SMILES:CCCCCCCNc1ccc(-c2cccs2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYYULGVNNNDIJ-UHFFFAOYSA-N", "SMILES:CCCCCNc1ccc(-c2ccc(F)cc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHWGSLUDFLGRU-UHFFFAOYSA-N", "SMILES:CCCCCNc1ccc(-c2cccc(F)c2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNHNLNSDUZKPLL-UHFFFAOYSA-N", "SMILES:CCCCCNc1ccc(-c2ccc(OC)cc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPLIGKXHDYGEC-UHFFFAOYSA-N", "SMILES:CCCCCNc1ccc(-c2ccc(C)cc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLAHKDNNECHHGR-SHWVSFAPSA-N", "SMILES:CCCCn1cc(C/C(C(=O)/C=C/c2ccc(OC)cc2)=C(O)\\C=C\\c2ccc(OC)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSPKTBEJNEEIJ-MXMUDNNZSA-N", "SMILES:CCOC(=O)Cn1cc(C/C(C(=O)/C=C/c2ccc(OC)cc2)=C(O)\\C=C\\c2ccc(OC)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEYDRCKHKAQDDS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLBFIZOOOVEFR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3ccc(NCC4CCN(Cc5ccccc5)CC4)cc3c(=O)[nH]2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVMZHAADXBUNH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3nc[nH]c3C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXHQUHXYFSUQL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3c[nH]cn3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNGHHSLVDDSUMU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cn(Cc4ccccc4)cn3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILQDFQQECZGHB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3cccs3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFIPWKDPOSQLF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(C3CCN(Cc4ccccc4)CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPNBNPZXUXLEBL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(C2CCN(Cc3ccccc3)CC2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGIOXXTWYFDAQV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(C2CCN(Cc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVCUXKFESITCJF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCN(C)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYDQSJJOWUWKL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWBZSFORFWTXAC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3nc4ccc(Br)cc4c(=O)[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUCVDAMLLCMLJI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYLHTWIYTNQQGH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3nc4ccc(N)cc4c(=O)[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNRQSOPKAOEGY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQQWSSMOTYCRQH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCNCC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEAJYZWWNQLJQV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCN(CCO)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXMQVOVCFXILNX-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)Nc2ccc(-c3ccnc(N4CCC(C)CC4)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHAONFOMSVJFEL-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)Nc2ccc(-c3ccnc(N4CCN(C)CC4)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMSKWLLKCGOEZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)Nc2ccc(-c3ccnc(N4CCC(CO)CC4)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPFWVRXZYDYJC-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)Nc2ccc(-c3ccnc(N4CCC(CO)CC4)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZIHAKNPHCTJSJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1)Nc1ccc(-c2ccnc(N3CCC(CO)CC3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFHYSBQXYHSJI-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)Nc2ccc(-c3ccnc(N4CCC(C)CC4)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTIJFCJKUFIRDT-UHFFFAOYSA-N", "SMILES:CC1CCN(c2cc(-c3ccc(NC(=O)Cc4cccc(F)c4)nc3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNIVCIXSXEWEA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)Nc2ccc(-c3ccnc(N4CCC(C)CC4)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMZQBXZAOAWLH-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)Nc2ccc(-c3ccnc(N4CCN(C)CC4)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVOIZCMWWRXKI-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)Nc2ccc(-c3ccnc(N4CCC(CO)CC4)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMLZEPAXLHAKT-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)Nc2cc(-c3ccnc(N4CCC(C)CC4)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDALVWOKCWZFLY-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)Nc2cc(-c3ccnc(N4CCC(C)CC4)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOLAZGBJYTEBV-UHFFFAOYSA-N", "SMILES:CC1CCN(c2cc(-c3ccnc(NC(=O)Cc4cccc(F)c4)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBWAWOMLCJSPG-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)Nc2cc(-c3ccnc(N4CCC(CO)CC4)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBNJRGZBNUKLT-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)Nc2cc(-c3ccnc(N4CCC(CO)CC4)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCRBAPKDQDDQFM-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1)Nc1cc(-c2ccnc(N3CCC(CO)CC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDEPGSMUVBBYHK-SNAWJCMRSA-N", "SMILES:O=C(/C=C/c1cccc(F)c1)Nc1cc(-c2ccnc(N3CCC(CO)CC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWEKTZDWAADCNY-AATRIKPKSA-N", "SMILES:Cc1cccc(/C=C/C(=O)Nc2cc(-c3ccnc(N4CCC(CO)CC4)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEIAPUMYBMYMQR-VOTSOKGWSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1cc(-c2ccnc(N3CCC(CO)CC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCUFVIGHFXRRY-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1cc(-c2ccnc(N3CCC(CO)CC3)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTOQTRBZWZONHQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDRXOFSNECSECW-HXUWFJFHSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3cnn(C)c3)cc1[C@H](Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNDGGFTCWLSAH-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3cnn(CC(=O)NCCCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)c3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEDAAIRLMHFASE-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3cnn(CC(=O)NCCCCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)c3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPJCVFSNZRSPGP-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3cnn(CC(=O)NCCCCCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)c3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRSRRDKSUKJTGJ-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICNUBYSHVDVUAF-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZCDYQBQNMTBZ-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCCCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBILBNMPMKHKW-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCCCCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJDFTCRFWJMGRA-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCCCCCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMACUYBDFNUQSF-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCCCc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABYFWCBFVBXOMM-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCCCCc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCISSXZVCHNREW-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCCCCCc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHRWQIDEBZQAY-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCCCCCCc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZADHPETCRQKA-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCCCCCCCc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEPYLOKQZGRZNJ-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CN(C)CCCCc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWAOMHYVOKCVLL-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1ccc(-c3ccc(CNCCCCc4cccc5c4CN(C4CCC(=O)N(C)C4=O)C5=O)cc3)cc1C(Nc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAJYVPITEZYTSC-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2ccc3c(c2)C(Nc2ccc(Cl)cc2)CCc2nnc(C)n2-3)cc1"]}
{"name": "Protein delta homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL5671"], "id": "UniProtKB:P80370", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAXBPMVTQNGQOE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCC(F)(F)C3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUUATKGJOATLP-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(Nc2cc(C(F)(F)F)ccn2)cc1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLWKSRHKZKBQH-DPBGWIHLSA-N", "SMILES:CC(C)[C@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPZKAMZGWPLTD-MOQPVCNJSA-N", "SMILES:Nc1cnc(-c2cc(N3CC4CC3C4)nc(N3C[C@@H]4C[C@H]3CO4)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRYMBQBCUWLCC-FFKWVLBGSA-N", "SMILES:Nc1ncc(-c2cc(N3CC4CC3C4)nc(N3C[C@@H]4C[C@H]3CO4)c2)nc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIZFEPDMRWBRC-IKOAMEGHSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)NCc3cn(CCOCCOCCN[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)nn3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPCGRAJXASLEFL-XPBJQNDESA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)NCc3cn(CCOCCOCCOCCN[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)nn3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXELZQYIOSFWJU-IQBKNCFSSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUMIURJFKKRUFX-OIBCBNTPSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APSPCUWVMOJCTO-UHMHMEIOSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTMGBRQUTXPEQV-PEEVFNJXSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYKIGMQZCYGMD-VSDRZZBPSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCCCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIZWDBCIVSSNQM-UGRKUVRTSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGJNBQVYCAZFA-MJRCCIMZSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRJBDXAAELXQSD-YYJIHQRISA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDCTNFRAFBOFJ-YPDAKTGISA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLKRCCJUNBPJJ-UHFFFAOYSA-N", "SMILES:CCN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGWJWGKFPBVTK-UHFFFAOYSA-N", "SMILES:CCCN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDIWODOKAJQJQE-UHFFFAOYSA-N", "SMILES:CC(C)CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQAGSDURDPQNIP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2N(CC2CC2)C2c3[nH]c4ccccc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJUVYNMMLBUKD-UHFFFAOYSA-N", "SMILES:C=CCN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL233929", "category": ["biolink:ChemicalEntity"], "name": "GALUTEOLIN", "xref": ["InChIKey:PEFNSGRTCBGNAN-QNDFHXLGSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5400106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWAQRJFONLTSI-ASDZUOGYSA-N", "SMILES:O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5416249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNDGJCZQVKFBPI-ASDZUOGYSA-N", "SMILES:O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5408599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRAPWDFLQEFLU-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(-c3ccnc(CN4CCC5(CCCC5)CC4)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXHGTHGNSGZHTK-KFDFZNDVSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(P(=O)(O)OC[C@H]2O[C@@H](OC)[C@H](O)[C@@H](O)[C@H]2O)C[C@H](N)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SASAWRLEIBZULD-NOVIIDPASA-N", "SMILES:CCC(CC)O[C@@H]1C=C(P(=O)(O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]2O)C[C@H](N)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRUHLAJHHRFBLQ-CDMCTNBCSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)NC(=O)CSc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPTULLORQKLHD-DYGHIYBASA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)NC(=O)CCc1ccc2ccccc2c1"]}
{"name": "Neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL6015"], "id": "UniProtKB:P03471", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:383586"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466246", "category": ["biolink:ChemicalEntity"], "name": "LANINAMIVIR", "xref": ["InChIKey:QNRRHYPPQFELSF-CNYIRLTGSA-N", "SMILES:CO[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O)[C@H](O)CO"], "synonym": ["Laninamivir", "Laninamivir", "R-125489"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1179048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKSFWKGDJOFHZ-RULNCXCMSA-N", "SMILES:CCO[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1183504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFUSBAPXPQZUIJ-IINAIABHSA-N", "SMILES:CCCO[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1179074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPBJGZMEYGLFK-PWRGDLIESA-N", "SMILES:CCCCCO[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1179072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAEDSJMECGQJNI-QBBQCFRVSA-N", "SMILES:CCCCCCCCO[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1183488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLOJBTIMLDRMEJ-OMTGHCCBSA-N", "SMILES:CCCCCCCCCCCCO[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXYJUJTPRTNBD-IHICSVBISA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@H](S(=O)(=O)O)C[C@@H]1O"]}
{"name": "Neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL3232678"], "id": "UniProtKB:Q194T1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:382827"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXYJUJTPRTNBD-HDBWYCHPSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@H](S(=O)(=O)O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMQBZIXDKDCTEZ-HOTMZDKISA-N", "SMILES:CC(=O)N[C@@H]1C=C[C@H](S(=O)(=O)O)O[C@H]1[C@H](O)[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPXVGUVMWUOHA-CEWLAPEOSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](n2nncc2-c2cccc(N)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNQVYMFNKCVEFR-YTFSRNRJSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)c2cnn(-c3ccc(C)cc3)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROOMMHPSJLHHJ-KSEOMHKRSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFKVHKVJJSHKSA-RMUDUWAUSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)c2cc(C3CC3)n(-c3ccccc3C)n2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZKXSVDQZPZYGG-HDYLNDSGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)c2cc(C3CC3)nn2-c2ccccc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRYHWFFZPEDMA-ZSQFBXSQSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCUHVCAIIITIIK-IEZKXTBUSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCNC1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRYHWFFZPEDMA-UCGXPXSYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCUHVCAIIITIIK-GVXSCFBNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCNC1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWSPADNYQYLRB-IEZKXTBUSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBZXXQSXINCLJJ-FGCOXFRFSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCNC1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZUZRFPCJXQAK-AKIFATBCSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCNC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKBGZFAIDDNIT-FGCOXFRFSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCNC1)S(=O)(=O)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXVFNDCIJZQIJB-FGCOXFRFSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCNC1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWSPADNYQYLRB-GVXSCFBNSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBZXXQSXINCLJJ-NKKJXINNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCNC1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZUZRFPCJXQAK-ACIOBRDBSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCNC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKBGZFAIDDNIT-NKKJXINNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCNC1)S(=O)(=O)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXVFNDCIJZQIJB-NKKJXINNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCNC1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWITZYGHOARGJ-DSNGMDLFSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPAJISVBTPHRRX-TZRRMPRUSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWITZYGHOARGJ-CCDWMCETSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPAJISVBTPHRRX-KMDXXIMOSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKKQXTBHESSSQF-PZUNEJSGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MICLRYGKDCPPGB-YFNKSVMNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCNC1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHTUGJUKWDANNM-AKIFATBCSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCNC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBTVSBPZNUUIW-YFNKSVMNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCNC1)S(=O)(=O)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLLUDVYFDXNQNG-YFNKSVMNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCNC1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKKQXTBHESSSQF-ZKMPZPQNSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MICLRYGKDCPPGB-OEMFJLHTSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCNC1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHTUGJUKWDANNM-ACIOBRDBSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCNC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBTVSBPZNUUIW-OEMFJLHTSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCNC1)S(=O)(=O)c1ccc(NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLLUDVYFDXNQNG-OEMFJLHTSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCNC1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRAZKLEOQXPDL-IEZKXTBUSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)N[C@@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEOSCCYNHZJRIQ-FGCOXFRFSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCNC1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYRAZKLEOQXPDL-GVXSCFBNSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)N[C@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEOSCCYNHZJRIQ-NKKJXINNSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCNC1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGXBYZCGWVTKDZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)C2OCCC2C(c2ccc(C(=O)C(C)C)cc2)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLEUNEGDEJKBRF-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUKQRYVXSHDLNQ-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVCFNEZBLFEOQT-BKVLDKJMSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c(S(C)(=N)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNGMMWESLJSQB-LLVKDONJSA-N", "SMILES:CC(=O)c1csc2c(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFFAOJGDYFALV-SNVBAGLBSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c(C(N)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRHMKZEBRYXQE-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c(C#N)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUSXFYIGUKPXKE-CYBMUJFWSA-N", "SMILES:C=C(C)c1csc2c(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIXWIXBUHPNHU-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c(C(C)(C)O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIWNIBDXGTQJP-JHJMLUEUSA-N", "SMILES:CC(O)c1csc2c(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JINOGKWXFVORNR-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJGHBUHWJPODT-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cc(F)cc3[nH]ccc23)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMDHGNOGKSVGM-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cc(Cl)cc3[nH]ccc23)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMGRTWGDSISYCA-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cc(C(F)(F)F)cc3[nH]ccc23)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVQAGHKXGAUCE-SNVBAGLBSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2c(F)ncc3[nH]ccc23)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRQLEBQKUOUPQ-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ncc23)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPUZUOIOQEZCF-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3c2CC(=O)N3)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFISANXCUZNZNH-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3c2CCN3)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVYFQVDAPFPTBT-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2c[nH]c3ccccc23)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPBMNKBBNRXDG-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-n2cnc3ccccc32)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAAFLXJMHWALJT-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-n2nnc3ccccc32)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUNORCISAPOSK-GFCCVEGCSA-N", "SMILES:Cc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(S(C)(=O)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMXKDUGLIERIN-CYBMUJFWSA-N", "SMILES:CCc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(S(C)(=O)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWWOHNKZPIKIN-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-n2c(C(F)F)nc3ccccc32)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPWFTLVNTSPAPX-GFCCVEGCSA-N", "SMILES:CSc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(S(C)(=O)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXUPRGOCAFCIB-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-n2c(=O)[nH]c3ccccc32)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILKWBAFOIJQVMU-GFCCVEGCSA-N", "SMILES:CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(S(C)(=O)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYPYYLJLIFVFKJ-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-n2c(N(C)C)nc3ccccc32)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBNFQAPMZZXPX-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-n2c(N)nc3ccccc32)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QROAXEJWZZCDMT-SNVBAGLBSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-n2c(N)nc3ccc(F)cc32)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLNNPMWJMLHRQD-SNVBAGLBSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-n2c(N)nc3cc(F)ccc32)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQWHFNXHNJCOKJ-SNVBAGLBSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-n2c(N)nc3c(F)cccc32)nc2c(S(C)(=O)=O)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKTNMZZECUCLDX-GFCCVEGCSA-N", "SMILES:CC(=O)Nc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(S(C)(=O)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYVCHEQLYSGSNK-CYBMUJFWSA-N", "SMILES:CCS(=O)(=O)c1csc2c(N3CCOC[C@H]3C)nc(-n3c(NC)nc4ccccc43)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZTGNGSNJAOYQA-CYBMUJFWSA-N", "SMILES:CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(S(=O)(=O)C3CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGUSHZIVHTZMNM-CQSZACIVSA-N", "SMILES:CCCS(=O)(=O)c1csc2c(N3CCOC[C@H]3C)nc(-n3c(NC)nc4ccccc43)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZEPRGUADGTDNI-CQSZACIVSA-N", "SMILES:CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(S(=O)(=O)C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANDBABGYQBFAHL-KTDAUSLXSA-N", "SMILES:CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc([S+](C)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOGBSQJBQUREC-GFCCVEGCSA-N", "SMILES:CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(SC)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCQIIOXRZVOSIZ-TXCSDCKISA-N", "SMILES:CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(S(C)(=N)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKZYZEGZPPAGEI-CYBMUJFWSA-N", "SMILES:CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(P(C)(C)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSQUQNSOCBSTP-OAHLLOKOSA-N", "SMILES:CCP(=O)(CC)c1csc2c(N3CCOC[C@H]3C)nc(-n3c(NC)nc4ccccc43)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMVDGFJIPMXNA-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIFPWRUXKZHSRN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN(C)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSJSWXUKXHJKX-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZFZKSHZHSKHGZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTFOHLYDQCENL-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1F)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMLWCOJPBAYCX-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(F)c1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLFSHJGFHHJSW-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(F)cc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXUQQYBCRZXYCA-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN(C)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGZSMCAABSIGY-UHFFFAOYSA-N", "SMILES:COc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCDKCBXHPDYXMH-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASHCEINTWXMABT-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)nc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOSBXYPGBDRFJ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccn1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMONSRVTJDHQHD-UHFFFAOYSA-N", "SMILES:CN(Cc1cccnc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARYFSCXKDOCZCZ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccncc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPCHFCUBABMIAO-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1O)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCCJENDSHIVGE-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(C(F)(F)F)c1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTCCEZQIYQQHEG-UHFFFAOYSA-N", "SMILES:CN(Cc1cccs1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFRQJPCXJLRPS-UHFFFAOYSA-N", "SMILES:CN(CC1CCCC1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAVBPTNWOYTJJQ-UHFFFAOYSA-N", "SMILES:CN(CC1CCCCC1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRUNHIZEPNWUJG-UHFFFAOYSA-N", "SMILES:CN(CC1CCCO1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIYAUQPRYJXPAG-UHFFFAOYSA-N", "SMILES:CN(CC1CCOC1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTMRGUQKRVPHHX-UHFFFAOYSA-N", "SMILES:CN(CC1CCCCO1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLFBVRLOCMYRCS-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAXYHNHZIZZOL-UHFFFAOYSA-N", "SMILES:CN1CCCC(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRILIZSIILQKKP-UHFFFAOYSA-N", "SMILES:CN(CC1CCN(Cc2ccccc2)CC1)c1ncnc2[nH]c(-c3ccc(CO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPLIABAPLXBMQ-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(CCO)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMOJIBKIUFHZAK-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCJXTNEYNEENX-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBFMJDTLAIVSN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFNMSINEFWPKX-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CO)cc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPPZFHSMUGRPLW-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1210237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXORTMIOUUTCK-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2ncnc3[nH]c(-c4ccccc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOFFPDGVLVHQSS-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2nc3c(NCc4ccccc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYIQSLPFNKHNNV-MPQUPPDSSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKIVUCDKNNHGHG-OIDHKYIRSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZPHOMXHONUJG-MPQUPPDSSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHASUVLFHWIJDC-OIDHKYIRSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPFSLZYIFDJEC-QWOOXDRHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)cs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHNLUXGCTQUFOI-QWOOXDRHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(Nc3nc(-c4cccnc4)cs3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQVJINRUVWDJU-QWOOXDRHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C)cc(Nc3nc(-c4cccnc4)cs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMUIOCLAZOTLR-QWOOXDRHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(Nc3nc(-c4cccnc4)cs3)ccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSABFAADNGFILM-QWOOXDRHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)cs3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFJHUCXTDRBRJ-IOWSJCHKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C)c(Nc3nc(C)cs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQMGRMFGLWUJY-IOWSJCHKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(Nc3nc(C)cs3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVLGURMXXHGGX-IOWSJCHKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C)cc(Nc3nc(C)cs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKDBNCNAZBIFHA-IOWSJCHKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(Nc3nc(C)cs3)ccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMMETXCXZRHKC-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C)c(Nc3nc(C(F)(F)F)cs3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRCVWFQJMBFLN-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(Nc3nc(C(F)(F)F)cs3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOXDCUWQSWESM-AJQTZOPKSA-N", "SMILES:COCc1csc(Nc2ccc(C)c(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZPGVIQNNAFVHZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(S(=O)(=O)Nc3ccc4[nH]ncc4c3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHIFPAPCYKPFX-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2[nH]ncc2c1)c1ccc(-c2cc(F)cc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOICFBXBIMNVCB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(COc2ccc(C(=O)Nc3ccc4[nH]ncc4c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUMOCJGPRAGPV-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2ccc(-c3noc(-c4ccc5[nH]ncc5c4)n3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPHIEXSDPZLFN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(C(=O)Nc3ccc4[nH]ncc4c3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFZPHVCVWIGBDH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cccc(C(=O)Nc3ccc4[nH]ncc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXJFSCDKJVHRE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(NC(=O)c3ccc4[nH]ncc4c3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAQJEOLQEUXYJG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(C(=O)Nc3ccc4[nH]ncc4c3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPOTGZGSAVHFE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)c1ccc(-c2cc(F)cc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSAFYJPHLKCOX-UHFFFAOYSA-N", "SMILES:COc1cc(COc2ccc(C(=O)Nc3ccc4[nH]ncc4c3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNBSOIKUHCWBH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(NC(=O)c3ccc4[nH]ncc4c3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEGHUQEWKHSTH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(COc3ccc4[nH]ncc4c3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXXBTGGYDSHQZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(COc3ccc4[nH]ncc4c3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORUCBUZOQSWEE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(-c3noc(-c4ccc5[nH]ncc5c4)n3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVVUYZEFSZMKK-UHFFFAOYSA-N", "SMILES:COc1cc(COc2ccc(-c3noc(-c4ccc5[nH]ncc5c4)n3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGAIMRYZRWXPH-UHFFFAOYSA-N", "SMILES:COc1cc(COc2cccc(-c3noc(-c4ccc5[nH]ncc5c4)n3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDJPHWXKVAWAQH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(-c3nc(-c4ccc5[nH]ncc5c4)no3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGCVPEVOLOULEO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(-c3nc(-c4ccc5[nH]ncc5c4)no3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRFNZGVFXYCHIX-UHFFFAOYSA-N", "SMILES:COc1cc(COc2ccc(-c3nc(-c4ccc5[nH]ncc5c4)no3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOHPINGAIXPEL-UHFFFAOYSA-N", "SMILES:COc1cc(-n2ncc3cc(NC(=O)c4ccccc4)ccc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWBKAWUQFYRQI-RMKNXTFCSA-N", "SMILES:Cn1c(=O)c2c(cc(/C=C/c3ccc(Cl)cc3)n2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSUDNAVMMMIMNZ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(F)cc2)ccc1NC(=O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL171809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBPBOEOYYZRWQS-UHFFFAOYSA-N", "SMILES:C=C(c1ccc[nH]1)N(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKTBLMABRWRYOS-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQNEDDKFDWRKE-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3sccc3c2n1Cc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYYNUSOHBJRNA-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1cccc(CN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYHZXQSSIVEJM-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1nc(CN)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXMRUBSRPNRLRS-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1CCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASYCDKIDNUIZHN-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDEPOFNNVAZQEL-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3cc(C)sc3c2n1Cc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSOYJHLLRNACQC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3cc(-c4ccccc4)sc3c2n1Cc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONHTYPSEQLWKKY-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJGQOWOSSOLSW-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMPWSEMYSZGHAS-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPIOQLTEPASLD-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CN(CC)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNGBGOGNZAGPX-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHCSUZSKZYYKIW-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPWOPLPYYYOOA-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CN2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXQCPNJIPNRLOZ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CN2CCN(CCN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKZIYDYXMBZUJE-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CN2CCN(CCN3CCOCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFEAWOSDSWJWLJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNCCN2CCSCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEFBUUMYPSQSTG-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNCc2ccc(CN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOMUPTYOBORKF-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNCCCCCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRCZMIKRGYDTPD-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYKWODHNHUACU-UHFFFAOYSA-N", "SMILES:CCCCCNCc1ccc(Cn2c(CCCC)nc3c(N)nc4ccsc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEMVMQJOSJQPKH-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNCCCCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBMEABGZAEQPD-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNCc2cc[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNFJDEKUELULEV-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNC2CC3(CNC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDGNKGMSZIJJFS-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CN2CCC(c3ccncc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRMCMBSIDUMACZ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNCC(C)(C)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSEMHHCRYVCBEC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNCC(C)(C)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANDQZKPHLWYWLP-QHCPKHFHSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CN[C@H](CO)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRAAPAKTGFCTKM-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccsc3c2n1Cc1ccc(CNC2CC(F)(F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCVIBSSODXGNY-VJKINUSGSA-N", "SMILES:O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUYNSMTDJNKJR-NJDMILDMSA-N", "SMILES:CS(=O)(=O)NC(=O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFSCZEKLYCWGBI-JZGCTYPUSA-N", "SMILES:O=C(CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1)NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOZYYFJJBXDRFI-LNOZMOLCSA-N", "SMILES:O=C(CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1)NS(=O)(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFQGGUEGBWQDC-QGKLTKKDSA-N", "SMILES:O=C(CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1)NS(=O)(=O)Cc1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NADURLAGYWXNIO-HCCHTLIVSA-N", "SMILES:Cc1nn(C)c(C)c1CC(=O)Nc1ccc(CS(=O)(=O)NC(=O)CCCCCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSUURDQUHTOIY-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCCNc1nc(Nc2ccc(Oc3ccccc3)cc2)nc(N2CCN(c3nc(N)nc(Nc4ccc(N5CCOCC5)cc4)n3)CC2)n1"]}
{"name": "Forkhead box protein C2", "xref": ["CHEMBL.TARGET:CHEMBL5465348"], "id": "UniProtKB:Q99958", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTSKZMUXCOODK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)c1c(-c2ccn(CC3CC3)n2)cc(-c2ccc(OCCCC(F)(F)F)cc2)[nH]c1=O"]}
{"name": "2-acylglycerol O-acyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL3603729"], "id": "UniProtKB:Q80W94", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWVYOLHEVRZHCO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)c1c(-c2ccn(C3CC3)n2)cc(-c2ccc(OCCCC(F)(F)F)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTHYOLLAAJPWMG-UHFFFAOYSA-N", "SMILES:CN(C)c1ncc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3)[nH]c(=O)c2C(=O)Nc2ccc(OC(F)(F)F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCGHHRSLXUVNHK-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3)[nH]c(=O)c2C(=O)Nc2ccc(OC(F)(F)F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZMPABSEBYCOC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3)[nH]c(=O)c2NC(=O)c2ccno2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYBVKPHSSNMQK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3)[nH]c(=O)c2NC(=O)c2cc(C)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUSYTMYELKFDP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3)[nH]c(=O)c2NC(=O)c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNRBFHXHCONKMF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)cc(-c3ccc(OCCCC(F)(F)F)cc3)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFQCTEUJHFYESR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3)[nH]c(=O)c2C(=O)NS(=O)(=O)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSLUKLYVOXJIW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3F)[nH]c(=O)c2C(=O)NS(=O)(=O)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTSDWVBGMYMOO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3)[nH]c(=O)c2C(=O)NS(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZRLKCMFUQCSV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3F)[nH]c(=O)c2C(=O)NS(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQDZYPQWRLEVNX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3F)[nH]c(=O)c2C(=O)NS(=O)(=O)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQWQZHTMIZVQS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3)[nH]c(=O)c2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPALDOIXHWPFNG-UHFFFAOYSA-N", "SMILES:CCn1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3)[nH]c(=O)c2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCAYJBHRKSXYBR-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3)[nH]c(=O)c2-c2nnn[nH]2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XICYELSLHZDWMH-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3)[nH]c(=O)c2-c2nnn[nH]2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUQBNHKABRUFI-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(OCCCC(F)(F)F)cc2)cc(-c2ccc(C3CC3)s2)c1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIIWSEIHLORHLV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(OCCCCCC(F)(F)F)cc2)cc(-c2ccc(C3CC3)s2)c1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPBQBHCLMXWOR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3F)[nH]c(=O)c2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGCSAFLXFPIHHO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCCC(F)(F)F)cc3F)[nH]c(=O)c2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBBFKKESQACLC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3F)[nH]c(=O)c2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVMXLIBLPXQTO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3Cl)[nH]c(=O)c2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPUAOJWGRPUFE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3C(F)(F)F)[nH]c(=O)c2-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNWQZLQDVAGCI-UHFFFAOYSA-N", "SMILES:CCOc1cc(OCCCC(F)(F)F)ccc1-c1cc(-c2ccc(C)cc2)c(-c2nnn[nH]2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMQKWTWPIMYWMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(C4=CCC(C)(C)CC4)cc3)[nH]c(=O)c2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RETJOMUJBNJYKU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(C4CCC(C)(C)CC4)cc3)[nH]c(=O)c2-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOXZHLMTUPQGB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3)[nH]c(=O)c2-c2nn[nH]n2)cc1"]}
{"name": "2-acylglycerol O-acyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL2439944"], "id": "UniProtKB:Q3SYC2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWDAQIFNSFOTB-UHFFFAOYSA-N", "SMILES:CCn1ccc(-c2cc(-c3ccc(OCCCC(F)(F)F)cc3)[nH]c(=O)c2-c2nnn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWGQFLYLFUFBU-LURJTMIESA-N", "SMILES:C[C@H](O)c1cc2c(o1)-c1cccc(O)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOSXSSHBXBCHX-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2c(o1)-c1cccc(O)c1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAPDBAGLMZIMSM-UHFFFAOYSA-N", "SMILES:CC(O)c1cc2c(o1)C(=O)c1cccc3c1C2=NS3(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZWZWJIXYCAEH-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2c(o1)C(=O)c1cccc3c1C2=NS3(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHEYADHBRXENFK-UHFFFAOYSA-N", "SMILES:CC(O)c1cc2c(o1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYFRBAYAJMYIU-RZCPZBNCSA-N", "SMILES:COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)Cc3ccc(NC(=O)COc5cccc(Cl)c5)cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCXCXUYRFPJWRR-UHFFFAOYSA-N", "SMILES:O=c1cc(NCC2CN(CC3Cc4ccnc(Cl)c4C3)C2)c2cc(F)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEWSGKREJWLMAB-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCNCC4Cc5cccc(Cl)c5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXNKCZQPUWIPK-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCNC4Cc5cccc(Cl)c5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWWBGDQUBCMYNV-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCCNC4Cc5cccc(Cl)c5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJAPVFDVPQVNTP-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CNC4Cc5cccc(Cl)c5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXEGUTANSALZSH-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CNCCC4Cc5cccc(Cl)c5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTTVFZHMRAGMV-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCNCCC4Cc5cccc(Cl)c5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPTVFJTVHOYDTL-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CNCC4Cc5cccc(Cl)c5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZFBPMAIHOMKKF-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCNCC4Cc5ccccc5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFHIUSNARCPIQ-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCNCC4Cc5cccc(F)c5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXANXGVEULKMLY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJXHHUOQDCCPHY-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCCNC4Cc5ccccc5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGGQDRQYPLQVTQ-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCCNC4Cc5cccc(F)c5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULNBEHUNMRDOZ-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCCNC4Cc5ccc(Cl)cc5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNUHOMLWCVICO-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCCNC4Cc5ccc(F)cc5C4)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBJNHRCCGGAEF-UHFFFAOYSA-N", "SMILES:N#Cc1cccc2c1CC(NCCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CASYEBIPRAWOTH-UHFFFAOYSA-N", "SMILES:O=C1COc2ccc(N3CC(CCCNC4CCc5c(Cl)cccc54)OC3=O)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDFPSYZDBGJXBB-DXKUYLCUSA-N", "SMILES:C/C1=C\\CC[C@@]2(C)O[C@@H]2[C@@]23C(=O)NC=C2[C@@](C)(CC1)[C@H](C)C[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLZNRXIUFCVFH-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2nc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3scc(C4=CCCCC4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBXKRJRSBBGKV-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)n3ncc(C4=CCCCC4)c3n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWRWQGJNKRAUOX-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)n3ncc(C4=CCCCC4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIIDSRZMVCLNCF-HZCBDIJESA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)n3ncc(C4=CCCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCFPYZRCXUVJQ-QAQDUYKDSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)n3nccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJEJMZXNEVFBLB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Nc2cc(Cl)nc3c2ncn3C2CCCCC2)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYPZDIPJTZEVBD-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncn(C4CCCCC4)c3n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPCKHJQJUDKSEC-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncn(C4CCCCC4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSXMDPPBDZULGX-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2nc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3cncc(C4=CCCCC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWSRAZIHOAUKP-JCNLHEQBSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(Br)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDLZZXNMBJIBEH-SAXTUKQPSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(NC3CCC(S(=O)(=O)N4CCCC4)CC3)c3ncc(C4=CCCCC4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYKFSVULVSBVSR-AFARHQOCSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(C4CCCCC4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNSKUVPOKIFDOO-AQYVVDRMSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(C4=CCCC4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWXGYPTSLXJAH-AQYVVDRMSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(C4CCCC4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXXSIYQAELSUOO-XUTJKUGGSA-N", "SMILES:CC(C)Cc1cnc2c(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc(N[C@H]3CC[C@H](N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYOKBBBDRJDUQF-KESTWPANSA-N", "SMILES:CC(C)c1cnc2c(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc(N[C@H]3CC[C@H](N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWPOSPOUNTEMU-UAPYVXQJSA-N", "SMILES:Cc1cnc2c(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc(N[C@H]3CC[C@H](N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMVZMIXBDMKIE-AFARHQOCSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(-c4ccccc4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSCARMKHBVSEKB-AFARHQOCSA-N", "SMILES:COc1ccc(-c2cnc3c(Nc4ccc(S(=O)(=O)N5CCCC5)cc4)cc(N[C@H]4CC[C@H](N)CC4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJRLPNYPZHVTC-AFARHQOCSA-N", "SMILES:COc1cccc(-c2cnc3c(Nc4ccc(S(=O)(=O)N5CCCC5)cc4)cc(N[C@H]4CC[C@H](N)CC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEWKTWJOFMCKCB-AFARHQOCSA-N", "SMILES:COc1ccc(-c2cnc3c(Nc4ccc(S(=O)(=O)N5CCCC5)cc4)cc(N[C@H]4CC[C@H](N)CC4)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSXHMFVLBIFBAU-AFARHQOCSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(-c4ccc(F)cc4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIDYVONLDCPXJO-XUTJKUGGSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(-c4ccc(O)c(F)c4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTQGXDFBGKUJV-AFARHQOCSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(-c4ccc(C(F)(F)F)cc4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OASIBPCMUMJODE-AQYVVDRMSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(-c4ccc(OC(F)(F)F)cc4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRWGDVCXTZCIE-HCGLCNNCSA-N", "SMILES:N#Cc1ccc(-c2cnc3c(Nc4ccc(S(=O)(=O)N5CCCC5)cc4)cc(N[C@H]4CC[C@H](N)CC4)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLASCWRMZKEXMD-ALOJWSFFSA-N", "SMILES:CN(C)C(=O)c1cccc(-c2cnc3c(Nc4ccc(S(=O)(=O)N5CCCC5)cc4)cc(N[C@H]4CC[C@H](N)CC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNTICKMCJPUPFO-HCGLCNNCSA-N", "SMILES:CN(C)S(=O)(=O)c1cccc(-c2cnc3c(Nc4ccc(S(=O)(=O)N5CCCC5)cc4)cc(N[C@H]4CC[C@H](N)CC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYANLHMOJTVILO-XUTJKUGGSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(-c4ccsc4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSKCQQMTGKAPLU-XUTJKUGGSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(-c4ccoc4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYJKSPOURPSMO-JCNLHEQBSA-N", "SMILES:Nc1cnc2c(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc(N[C@H]3CC[C@H](N)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSDBDUHDFVLLBW-KESTWPANSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3ncc(-c4cn[nH]c4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEHPCNPNPZRJB-SAABIXHNSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c3nccn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVXCIPTQNGQBM-UHFFFAOYSA-N", "SMILES:COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(-c2ncc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNDFTZVYDQRFCD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C#N)c(=O)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCFECFIMPYNMP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C#N)c(=O)n(Cc3ccccc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISXCMIQGGBENSV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C#N)c(=O)n(Cc3ccccc3)c3cc(NC(C)c4ccccc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNYGQDXNYUUNH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C#N)c(=O)n(Cc3ccccc3)c3cc(NC(C)c4ccccn4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYQINRSQQXFOW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C#N)c(=O)n(Cc3ccccc3)c3ccc(NC(C)c4ccccn4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIJGVJZOHVKVIA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C#N)c(=O)n(CC3CCCC3)c3cc(NC(C)c4ccccn4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYWNPNNUIHGHJC-UHFFFAOYSA-N", "SMILES:CC(Nc1ccc2c(C3CCCC3)c(C#N)c(=O)n(Cc3ccccc3)c2c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKMGVSLRLBKDF-UHFFFAOYSA-N", "SMILES:CC(Nc1ccc2c(C3CC3)c(C#N)c(=O)n(Cc3ccccc3)c2c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHNYOFYICJGTH-UHFFFAOYSA-N", "SMILES:CC(C)c1c(C#N)c(=O)n(Cc2ccccc2)c2cc(NC(C)c3ccccn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQGJJLPTPDUDRH-UHFFFAOYSA-N", "SMILES:CC(Nc1ccc2c(C(C)(C)C)c(C#N)c(=O)n(Cc3ccccc3)c2c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBGJNJUKOFPSS-UHFFFAOYSA-N", "SMILES:CC(Nc1ccc2c(C3CCCC3)c(C#N)c(=O)n(CC3CCCC3)c2c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBGJNJUKOFPSS-LJQANCHMSA-N", "SMILES:C[C@@H](Nc1ccc2c(C3CCCC3)c(C#N)c(=O)n(CC3CCCC3)c2c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKBGJNJUKOFPSS-IBGZPJMESA-N", "SMILES:C[C@H](Nc1ccc2c(C3CCCC3)c(C#N)c(=O)n(CC3CCCC3)c2c1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACDRXGBWRHLCR-UHFFFAOYSA-N", "SMILES:N#Cc1c(C2CCCC2)c2ccc(NCc3ccc(F)cn3)cc2n(CC2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDKPFSHXFFALR-HDICACEKSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIELNOLQJZOXMR-TXEJJXNPSA-N", "SMILES:Cn1cnc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCGZYQGQZKDFH-BETUJISGSA-N", "SMILES:Cn1ncc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSSYEZHHVYFPOJ-OKILXGFUSA-N", "SMILES:CC(C)(O)Cn1cnc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCFERVVUBEPAE-GASCZTMLSA-N", "SMILES:CC(C)(O)Cn1ncc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOBSHMPDSNBHM-IYBDPMFKSA-N", "SMILES:CC(C)(O)Cn1ccc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXCNMBDRRSLYBU-OKILXGFUSA-N", "SMILES:CN1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJHLQKPFJJSLK-GASCZTMLSA-N", "SMILES:CCn1ccc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFRSNMKNBAXLCK-UHFFFAOYSA-N", "SMILES:CC(C)(O)Cn1ccc2cc(Nc3ncc(C(F)(F)F)c(NC4CC5(CNC5)C4)n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSNUAOCGRWZKRH-PIIMJCKOSA-N", "SMILES:CC(C)(O)Cn1ccc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4C[C@H]5CC[C@@H](C4)N5)n3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWPGGNEZDAHPJ-GASCZTMLSA-N", "SMILES:CC(=O)N1CCc2nc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTOOTASPOOSERC-GASCZTMLSA-N", "SMILES:CC(C)(O)C(=O)N1CCc2nc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXZXPPULYTPJD-IYBDPMFKSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2nc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUGZDWCCRNTDK-CALCHBBNSA-N", "SMILES:CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXRKPNCKZKIFMK-IYBDPMFKSA-N", "SMILES:N[C@H]1CC[C@@H](Nc2nc(Nc3ccc4c(c3)CCN(C(=O)CO)C4)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOLAIUZCKYPCQ-XYPHTWIQSA-N", "SMILES:C[C@@H](O)C(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOLAIUZCKYPCQ-RRQGHBQHSA-N", "SMILES:C[C@H](O)C(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRSQWJVMBRBPZ-CALCHBBNSA-N", "SMILES:CC(C)(O)C(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEZXMQDUAGEGLR-CALCHBBNSA-N", "SMILES:CC(=O)N1CCc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZJHECNTDHGQY-CALCHBBNSA-N", "SMILES:CC(C)(O)C(=O)N1CCc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBMXNQRKVSGKHT-HDICACEKSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMKGQPTZIRPMA-IYBDPMFKSA-N", "SMILES:CC(=O)N1Cc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOIKDVCHQYXCQL-GASCZTMLSA-N", "SMILES:N[C@H]1CC[C@@H](Nc2nc(Nc3ccc4c(c3)CN(C(=O)CO)C4)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIELVFPEYHWMQZ-IYBDPMFKSA-N", "SMILES:CC(C)(O)C(=O)N1Cc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQZVWRXRHZPRBO-CALCHBBNSA-N", "SMILES:CC(C)(O)CC(=O)N1Cc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJJSPZZCOIAAO-GASCZTMLSA-N", "SMILES:CC(=O)N1CCc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSXXNQRAYKGAQ-GASCZTMLSA-N", "SMILES:CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFRIXOEJZMCHH-IYBDPMFKSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDKPFSHXFFALR-IYARVYRRSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@H](N)CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVYROZNBATKIP-BGYRXZFFSA-N", "SMILES:CC(=O)N[C@H]1CC[C@@H](Nc2nc(Nc3ccc4c(c3)CCN(C(=O)CC(C)(C)O)C4)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVWNWIIOYPZAE-KDURUIRLSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](NS(C)(=O)=O)CC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYBLSPLGOUITO-UXHICEINSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CCCC[C@H]4N)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYBLSPLGOUITO-VQTJNVASSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCCC[C@@H]4N)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPGAOXOTQQSMN-GOSISDBHSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCCNC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPGAOXOTQQSMN-SFHVURJKSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CCCNC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMACZWSUUNMRLW-UHFFFAOYSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NC4CCNCC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSDUYEGERXOMIG-UHFFFAOYSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCC4CCNCC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXPQSZZYSQGLA-INIZCTEOSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NC[C@H]4CCCNC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXPQSZZYSQGLA-MRXNPFEDSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NC[C@@H]4CCCNC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSQMUFXJBGUUNZ-UHFFFAOYSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCN)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPNHKSMJABLOLL-UHFFFAOYSA-N", "SMILES:CC(C)(N)CNc1nc(Nc2ccc3c(c2)CCN(C(=O)CC(C)(C)O)C3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHMFYHSNOIJHK-UHFFFAOYSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCCN)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVGKTIYRWXKWTQ-UHFFFAOYSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCC(C)(C)CN)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZEICMNTLHFXNT-UHFFFAOYSA-N", "SMILES:CC(C)(N)CCNc1nc(Nc2ccc3c(c2)CCN(C(=O)CC(C)(C)O)C3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPWSVHUTHUTIIH-UHFFFAOYSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCCCN)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVFMIEBCFYSYBS-UHFFFAOYSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCCCCN)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYCRKGDWMLEMBY-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCNc1nc(Nc2ccc3c(c2)CCN(C(=O)CC(C)(C)O)C3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJHKTBFVUWIYJW-UHFFFAOYSA-N", "SMILES:CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCCNS(C)(=O)=O)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVALBICOPAGWCZ-UHFFFAOYSA-N", "SMILES:CNCCCNc1nc(Nc2ccc3c(c2)CCN(C(=O)CC(C)(C)O)C3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPTZVSHHHSCTP-LVHUXHSGSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)c2cc3cc(c2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H](Cc2cccc4ccccc24)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2cccc4ccccc24)NC(=O)[C@H](CCCNC3=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUWDMGREDCVAOD-JHIDHZQHSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2cccc4ccccc24)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC3=O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDFIKLWLLNVRLS-SESWPSEFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)c2cc3cc(c2)C(=O)NC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC3=O)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOARMSSXPHSBDL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc3c(cc2Nc2nnc(-c4ccc(C(F)(F)F)cc4)s2)nc(-c2ccc(F)cc2)n3C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYQPBXJWCKKTJV-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)ccc2nc(-c3cccc(CNCCO)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDCDXCBDSVEJAA-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)ccc2nc(-c3ccc(CNCCO)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASSQZIVXNSPRIF-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCc1ccc(-c2nc3ccc(-c4ccccc4)c(C)c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCRRFEHUDPSXOO-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)ccc2nc(-c3cccc(CNCC(=O)O)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPYQLWPPAGHHJC-QFIPXVFZSA-N", "SMILES:Cc1c(-c2ccccc2)ccc2nc(-c3cccc(CNCC[C@@H]4CCC(=O)N4)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUSGSJFAAIBNDP-HXUWFJFHSA-N", "SMILES:Cc1c(-c2ccccc2)ccc2nc(-c3cccc(CNC[C@H](O)CC(=O)O)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYXTAMWHAKPJQ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)ccc2nc(-c3cccc(CNCCN)c3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCUBETQHPADNFF-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCc1cccc(-c2nc3ccc(Br)c(C)c3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBTNBIRGLFNUHZ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCc1cccc(-c2nc3cccc(C)c3[nH]2)c1"]}
{"name": "V-type immunoglobulin domain-containing suppressor of T-cell activation", "xref": ["CHEMBL.TARGET:CHEMBL5465355"], "id": "UniProtKB:Q9D659", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1488059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJPRMXKIWYPAB-UHFFFAOYSA-N", "SMILES:N#CSCC(=O)N1c2ccccc2CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQWYCHLNLZIPG-UHFFFAOYSA-N", "SMILES:N#CSCC(=O)N1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGIFHCAUNNLPO-UHFFFAOYSA-N", "SMILES:N#CSCC(=O)N1c2ccccc2CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVIUJUFFEDBAHI-UHFFFAOYSA-N", "SMILES:N#CSCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIKGIZUFRZSXRL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)N(C(=O)CSC#N)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECRSTYVPYWRNE-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)N(C(=O)CSC#N)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKBDQDKJXBFOD-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc2c(c1)N(C(=O)CSC#N)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDYRHSJOHGBSB-UHFFFAOYSA-N", "SMILES:N#CSCC(=O)N1c2ccccc2Sc2ccc(C#N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVKMTNXKNUXCU-UHFFFAOYSA-N", "SMILES:CCSc1ccc2c(c1)N(C(=O)CSC#N)c1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXBWAZAMMJVLJC-UHFFFAOYSA-N", "SMILES:N#CSCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIXVKFOICROPCM-UHFFFAOYSA-N", "SMILES:N#CSCC(=O)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLUXUKFSITXBR-KXXVXRNASA-N", "SMILES:C/C=C/[C@@H]1O[C@H]([C@H](N)/C=C/C=C(\\C)C[C@@H](C)/C=C(C)\\C=C\\[C@H](O)C[C@H](N)CC(=O)OC)C[C@H](O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLUXUKFSITXBR-MMMSEVKXSA-N", "SMILES:C/C=C/[C@@H]1O[C@H]([C@@H](N)/C=C/C=C(\\C)C[C@@H](C)/C=C(C)\\C=C\\[C@H](O)C[C@H](N)CC(=O)OC)C[C@H](O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMTRMZNTBHTQBT-GKOAPLANSA-N", "SMILES:C/C=C/[C@@H]1O[C@H]([C@H](N)/C=C/C=C(\\C)C[C@@H](C)/C=C(C)\\C=C\\[C@H](O)C[C@H](N)CC(=O)O)C[C@H](O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863829", "category": ["biolink:ChemicalEntity"], "name": "OBELDESIVIR", "xref": ["InChIKey:YIHPGVCWGSURHO-VSBTWAGUSA-N", "SMILES:CC(C)C(=O)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O"], "synonym": ["Obeldesivir", "ATV-006", "ATV006", "GS-5245", "Obeldesivir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPWSCFMVXPMNL-COSXAGSESA-N", "SMILES:CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKMMUKDTVNOKQD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCCCn1c(=O)n(C)c3ccccc31)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYRMUNUDXHUNNW-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)oc(=O)n2CCCCN1CCN(c2ccc(F)cc2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPQVNXMKHXSMKX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(C)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPBOMWKBZHYYGE-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYIYZWNYLZCQDU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(C3CC3)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSSQUOVZUGFOL-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCCCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDWKBIUVMGEPI-UHFFFAOYSA-N", "SMILES:CCCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCC(F)(F)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJYCCSJJBXQNM-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCC4(CCOC4)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLCSPKSXWXTQPR-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2ccncc2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJJFGCFMUCSKK-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cc(C)no2)c(C2CCN(CCN3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFPJPBRQRWMFP-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cc(C)no2)c(C2CCCN(CC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUKVQHBTUAXKL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cncnc2C2CCN(CC(=O)N3CCOCC3)CC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYGDFJARPBUTKW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(C(C)C)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJLHLEJXWGIKDZ-UHFFFAOYSA-N", "SMILES:CCCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTWUISPULSREAS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(C(F)(F)F)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNJMTVIHFUNRX-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSKLXSTBONJJW-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCCN(C)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXDUKHNEBJWEZ-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2ccccn2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLITUMCYWSYKNJ-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cccc(C)n2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSKDJFWCIEBNF-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2nccn2C)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKEDWZMIOHPVSV-UHFFFAOYSA-N", "SMILES:CCc1ncc(-c2cc(C)no2)c(C2CCN(CCC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLVPINRVZODSB-MRXNPFEDSA-N", "SMILES:CCc1ncc(-c2cc(C)no2)c([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLVPINRVZODSB-INIZCTEOSA-N", "SMILES:CCc1ncc(-c2cc(C)no2)c([C@H]2CCCN(CC(=O)N3CCOCC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLBNAZPNPUENU-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJLSKGISTQLWPO-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)cc4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAXXNVLUPIPLQ-UHFFFAOYSA-N", "SMILES:CN(c1ccc(Cl)cc1)c1ccnc(Nc2ccc(C(=O)Nc3nc4c(C(N)=O)cccc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FELISMCMXIVCLT-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)cc4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUGRKZAFBVCEBZ-UHFFFAOYSA-N", "SMILES:CN(c1ccc(Cl)cc1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKXYPJZBOPXUBC-UHFFFAOYSA-N", "SMILES:CN(c1ccc2ncccc2c1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IREPUOWDSBPZJJ-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)cc4F)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTSAWKSGYOJZKN-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)c(Cl)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXRUTZNINHIVTE-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)c(C(F)(F)F)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEEAPWCOJZPFBY-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4cc(F)c(-c5nc6c(C(N)=O)cccc6[nH]5)c(F)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPWUFPDTJUJNQ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)ccc1-c1nc2c(C(N)=O)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSGHPSLYQBFKEY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cnc1-c1nc2c(C(N)=O)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCOPXWHSTOLCAJ-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5ccc(-c6nc7c(C(N)=O)cccc7[nH]6)cc5)cc4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXVJLHNEUCXOHA-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4cc5cc(-c6nc7c(C(N)=O)cccc7[nH]6)ccc5s4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLOAWTDOVMWWAG-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)cc4F)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRILMYKFBMEBC-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)c(Cl)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIXJAUCKOHDBNI-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)c(C(F)(F)F)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHFINHFBVESNP-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4cc(F)c(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)c(F)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWYFZTUWYBKBG-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4cccc(-c5nc6c(C(N)=O)cccc6[nH]5)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYHJVFMNYSPNT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1-c1nc2c(C(N)=O)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZPYETATKJIYAI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1Nc1nccc(N(C)c2ccc3c(C)n(C)nc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLMHMDGCCRWFC-UHFFFAOYSA-N", "SMILES:CN(c1ccc(Cl)cc1)c1ccnc(Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAARIUWCZZVAFB-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(N(C)c2ccnc(Nc3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQFNOSLDNBPLNW-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6cc(F)c(F)cc6[nH]5)c(Cl)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYAJDGIWDVAJZ-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6cc(F)c(F)cc6[nH]5)c(C(F)(F)F)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBXUOSSYJJKFK-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)ccc1-c1nc2cc(F)c(F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSJBONLMIKLDFZ-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4cccc(-c5nc6cc(F)c(F)cc6[nH]5)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSWDXFSNRCBKQK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1-c1nc2cc(F)c(F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVZUAKWEUBENM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1Nc1nccc(N(C)c2ccc3c(C)n(C)nc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZIVGBNMQBNTH-UHFFFAOYSA-N", "SMILES:CN(c1ccc(N2CCOCC2)c(F)c1)c1ccnc(Nc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRTPBRRHRRGKAX-UHFFFAOYSA-N", "SMILES:CN(c1ccnc(Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n1)c1cc(C(C)(C)C)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWBSWIZPCPBVKE-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6ccccc6[nH]5)c(Cl)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAKIFLSQZDQCOI-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6ccccc6[nH]5)c(C(F)(F)F)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLIWHRPGJDECPJ-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4cccc(-c5nc6ccccc6[nH]5)c4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFCMQBKWVQIEDX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1-c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJJYVVWWSWNKW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccc3[nH]2)cc1Nc1nccc(N(C)c2ccc3c(C)n(C)nc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKXXNFCDLROXMP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(Nc4nccc(N5CCN(C(=O)c6ccccc6)CC5)n4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRRZNOFZCFGGT-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(Nc4nccc(N5CCN(C(=O)c6ccccc6)CC5)n4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHYYNALXUDCTQJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(Nc4nccc(N5CCN(c6ccc(C(F)(F)F)cn6)CC5)n4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAXLMJUUHGVERG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(c2ccnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMIMXEXRUAEOTG-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccnc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)cc4)n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXGCGRBDHSCBPA-UHFFFAOYSA-N", "SMILES:CN(c1ccc(F)cc1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILPHHOODKHQOG-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(N(C)c2ccnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDVZYYKBQYIKS-UHFFFAOYSA-N", "SMILES:CN(c1ccc(S(C)(=O)=O)cc1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXLMOFHIYLQNN-UHFFFAOYSA-N", "SMILES:CN(c1ccc(N2CCOCC2)cc1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTOXQSLZBMLJE-UHFFFAOYSA-N", "SMILES:CN(c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQGNKFPVNFDEDY-UHFFFAOYSA-N", "SMILES:CN(c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1)c1cc(C(C)(C)C)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXPKWBZZUXBEZ-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3cc(C(F)(F)F)nc(Nc4ccc(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)cc4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPGRCOLWREKPK-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)nc1N(C)c1ccc2c(C)n(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPWYWOGJYTTPG-UHFFFAOYSA-N", "SMILES:Cc1cc(N(C)c2ccc3c(C)n(C)nc3c2)nc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXEAHURUCBYHMJ-UHFFFAOYSA-N", "SMILES:COc1cc(N(C)c2ccc3c(C)n(C)nc3c2)nc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPZDQYJIRRLJFC-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3nc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)cc4)nc4ccsc34)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHYSKRCUESMFEG-UHFFFAOYSA-N", "SMILES:CN(c1ccnc(Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)n1)c1cc(C(C)(C)C)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNZUHFCOFDWBU-AHBRSWPISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNAYOAVLUVPRZ-BZQISDQESA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NN(C)C(=O)NN(CC(C)C)C(=O)NCC(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJAEOUHSBZZQN-MYRBLGBHSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NN(Cc1ccc(O)cc1)C(=O)NN(CCc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAQISPVQJHKFU-KXSUDVSSSA-N", "SMILES:CC(=O)NN(C[C@H](C)O)C(=O)NN(CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLISETLGLZHLIX-FCXJNEHTSA-N", "SMILES:CC(=O)NN(C[C@H](C)O)C(=O)NN(CCCCN)C(=O)N[C@@H](CO)C(=O)NN(Cc1ccc(O)cc1)C(=O)NN(CCc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPXKKUSDNCXVCI-FPERTPSYSA-N", "SMILES:CC(=O)NN(C[C@H](C)O)C(=O)NN(CCCCN)C(=O)N[C@@H](CO)C(=O)NN(Cc1ccc(O)cc1)C(=O)NN(CCc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NN(C)C(=O)NN(CC(C)C)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZBOMHWZILWQR-ODECHLPLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)N(CCCCN)NC(=O)N(N)C[C@H](C)O)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVOWPRZWNCTQY-KJCCXXSMSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NN(Cc1ccc(O)cc1)C(=O)NN(CCc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NN(C)C(=O)NN(CC(C)C)C(=O)NCC(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRJLEJDEWZBGC-KSMRBYAOSA-N", "SMILES:CC(=O)NN(C[C@H](C)O)C(=O)NN(CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NN(C)C(=O)NN(CC(C)C)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMPLONNSIXKKHK-GEQZCAPISA-N", "SMILES:CC(C)CN(NC(=O)N(C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEAULPOVEUKGCR-AHWWRMAYSA-N", "SMILES:CC(C)CN(NC(=O)N(C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)N(CCCCN)NC(=O)N(N)C[C@H](C)O)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHGFVWDZWMEFNR-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)c4nn(-c5ccc(C)cc5)c(=O)cc4C)cc3)c2cc1OC"]}
{"name": "Mitogen-activated protein kinase kinase kinase 7", "xref": ["CHEMBL.TARGET:CHEMBL5465319"], "id": "UniProtKB:Q62073", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2037521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOWWSZHAZVDMAY-UHFFFAOYSA-N", "SMILES:c1cnc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXSOICYDAGUJA-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWZCNHZSGYCJP-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDOASHONDCKDU-UHFFFAOYSA-N", "SMILES:Clc1ccc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3289656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQVQCEDGSJVHMK-UHFFFAOYSA-N", "SMILES:c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZVXSSLUUGFVFR-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCNULBSNJJBDL-UHFFFAOYSA-N", "SMILES:Cc1ccnc(N2CCN(CCCc3nc4ccccc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQJXUKPWMUTBT-UHFFFAOYSA-N", "SMILES:COc1cccnc1N1CCN(CCCc2nc3ccccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKWPOXKBYLPBIG-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CCCN3CCN(c4ccccn4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPPBABWZQDMBQM-UHFFFAOYSA-N", "SMILES:Clc1ccc2nc(CCCN3CCN(c4ccccn4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZNYLBLMCWHLSK-UHFFFAOYSA-N", "SMILES:Clc1ccc2sc(CCCN3CCN(c4ccccn4)CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVHPJLAUHGFQOY-UHFFFAOYSA-N", "SMILES:Clc1cccc2sc(CCCN3CCN(c4ccccn4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHIGVMVGEPDNBQ-UHFFFAOYSA-N", "SMILES:Cc1cccnc1C1CCN(CCCc2nc3ccccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNGCPQMNTNEUCA-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CCN(CCCc3nc4ccccc4s3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYFWYJLWVJPAQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CCCN3CCC(c4ccccn4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSXPHCNTIXEPIX-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(CCCN3CCC(c4ccccn4)CC3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSFWUHHMGJEBX-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(CCCN3CCC(c4ccccn4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2355519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPPLMAMMZZOEA-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAZOTIBKRWLQA-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZIOOTYPWTOTO-SNAWJCMRSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)/C=C/n1cc(F)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLZMKQGBSVVAE-AATRIKPKSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)/C=C/CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RESICFNPLNQAOX-SNAWJCMRSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/n1cc(F)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRCTMCXNOBCLU-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CNC4)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYXFWPSPCQNMLC-LKLZPQJISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEFOBMGNAJJGSD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccc(F)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXKLZHJWCRWNCM-MKZKMFSTSA-N", "SMILES:CCOC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIFYJGFSHVYHC-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccccc2)cc1NC(=O)CCCCCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCXZGYVOZSCSF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)C(F)(F)F)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQWUNUXAOHTLLG-ASDGIDEWSA-N", "SMILES:O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYCTMYOHGBSBI-SVZOTFJBSA-N", "SMILES:C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@@H](C)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3828396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFCDNONWGMYBHA-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXBMJVMSBSGMM-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccncc2)cc1NC(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBHURYMVPMFILR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABZSPJVXTTUFAA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUJWKLXOJFZOZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC3=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXVLWKBVIHOIQB-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDMFFBPTVKIEB-RVDMUPIBSA-N", "SMILES:O=C(/C=C(\\CO)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAHTYLGIMUMNJY-RVDMUPIBSA-N", "SMILES:NC/C(=C\\C(=O)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCJIKXQBHOGKHC-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(-c2cn(CS(=O)(=O)c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRYBJIQYBKCOQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccc(C(=O)Nc3cc(-c4ccncc4)ccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCFPTJZZQPBTBG-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc(NC5N=CCN5)cc4)nn3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOWRWKKMBPVMLG-XABOTKNQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)[C@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKHTEQJJSKQFO-OKMGLPTBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDDYNRMSKVRITF-GMIRDUSMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGLOQTZAQJETI-GBNRRVIASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQVECUWEXQKBE-POHHMPBDSA-N", "SMILES:CCN(CC)c1ccc2c(-c3ccccc3C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)c3ccc(=[N+](CC)CC)cc-3oc2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEURGPJRAOYJKC-UHFFFAOYSA-N", "SMILES:O=C(CSc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLZDESFCWUXHH-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2ccccc2)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZZBQTKSWFYIPT-LSDHHAIUSA-N", "SMILES:S=c1[nH]nc(-c2ccccc2)n1[C@@H]1C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXEHYTTZIRUXJX-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCn2c(-c3ccccc3)n[nH]c2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSIKSHICRSARNJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCn2c(-c3ccccc3)n[nH]c2=S)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSJQHWQZVABJQE-UHFFFAOYSA-N", "SMILES:O=C1OC(Cn2c(-c3ccccc3)n[nH]c2=S)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGCAOFYBFAZJA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1n[nH]c(=S)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXIYZCPODRYEPM-UHFFFAOYSA-N", "SMILES:COc1ccc(O)c(-c2n[nH]c(=S)n2CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWXRKJQWAJZRLN-DZGCQCFKSA-N", "SMILES:COc1ccc(O)c(-c2n[nH]c(=S)n2[C@@H]2C[C@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPQMCFFCOGPLI-UHFFFAOYSA-N", "SMILES:COc1ccc(O)c(-c2n[nH]c(=S)n2CCc2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHOOPYRVNQKCAD-UHFFFAOYSA-N", "SMILES:COc1ccc(O)c(-c2n[nH]c(=S)n2CCc2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDSJKCWZVROIA-UHFFFAOYSA-N", "SMILES:COc1ccc(O)c(-c2n[nH]c(=S)n2CC2OC(=O)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSIZJNUTMSFMBZ-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2ccc3ccccc3c2)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVLJZNUIOVPLCF-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCn2c(-c3ccc4ccccc4c3)n[nH]c2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDJGELMYVKDQNG-UHFFFAOYSA-N", "SMILES:O=C1OC(Cn2c(-c3ccc4ccccc4c3)n[nH]c2=S)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNAXSINHDYPDL-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCn2c(-c3ccccc3-c3ccccc3)n[nH]c2=S)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAODUBUEHHPRJT-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCn2c(-c3cccc(-c4ccccc4)c3)n[nH]c2=S)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFGDYYVSQICHC-UHFFFAOYSA-N", "SMILES:Oc1cccc(CCn2c(-c3cccc(-c4ccccc4)c3)n[nH]c2=S)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYPTXNTWSOBAX-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCn2c(-c3cccc(-c4ccccc4)c3)n[nH]c2=S)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORQAFKKCZYIMCX-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCn2c(-c3cc(-c4ccccc4)ccc3O)n[nH]c2=S)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXOTXTQZLFVKFG-UHFFFAOYSA-N", "SMILES:Cn1cccc1-c1n[nH]c(=S)n1CC1OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTQPTZBBLHLBV-UHFFFAOYSA-N", "SMILES:Sc1nnc(-c2ccccc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1452412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUULZDTTMJDAI-UHFFFAOYSA-N", "SMILES:Sc1nnc(-c2ccccc2)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDILCWGNNBNRJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cn2c(-c3ccccc3)n[nH]c2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQHGBQWHZKNEL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Cn2c(-c3ccccc3)n[nH]c2=S)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMDEQXOBBCPEG-UHFFFAOYSA-N", "SMILES:COc1ccc(O)c(-c2n[nH]c(=S)n2Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHRFGHHXGMDPGA-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(Cc2ccccc2)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUWPDZSQXUHMX-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2ccccc2)n1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIPGTWUVSYEMZ-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2ccccc2)n1CCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSMSUIIFLHOLQH-OEAKJJBVSA-N", "SMILES:O=C(O)c1ccccc1/C=N/n1c(-c2cccc(-c3ccccc3)c2)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFINQLBGVOXBLI-LPYMAVHISA-N", "SMILES:Oc1ccc(/C=N/n2c(-c3ccccc3-c3ccccc3)n[nH]c2=S)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDMZOTGZFJFBAK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccccc1CCn1c(-c2ccccc2)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEMFJZWBMXAGKA-LEWJYISDSA-N", "SMILES:S=c1[nH]nc(-c2cccc(-c3ccccc3)c2)n1[C@@H]1C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGNQBMXWCCNYGQ-UHFFFAOYSA-N", "SMILES:S=c1[nH]nc(-c2ccccc2)n1CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAJNZZUPRDSHQA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1n[nH]c(=S)n1CCc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIWHUPIUUZFFK-PMWRKVJASA-M", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOS(=O)(=O)[O-])CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUTIJCFLXOYRFA-NYYMJYNKSA-L", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOS(=O)(=O)[O-])CC[C@@H]23)[C@@]2(C)CC[C@@H](O[C@@H]3O[C@H](CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANMEFOSTJUYER-HUWNRTSNSA-M", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOS(=O)(=O)[O-])CC[C@@H]23)[C@@]2(C)CCC(=O)C[C@@H]12.[Na+]"]}
{"name": "Kappa-type opioid receptor", "xref": ["CHEMBL.TARGET:CHEMBL5465308"], "id": "UniProtKB:Q2KIP6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHTUHPOTUETFI-USYHLRJESA-N", "SMILES:COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13"]}
{"name": "Muscarinic acetylcholine receptor M1", "synonym": ["Muscarinic receptor M1"], "xref": ["CHEMBL.TARGET:CHEMBL2672"], "id": "UniProtKB:Q8WMX0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"name": "Sigma intracellular receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL5465309"], "id": "UniProtKB:Q3MHW7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3341962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYZQPCYWPFTAG-VFXVZZSQSA-N", "SMILES:CNC1(C)[C@H]2CC[C@H](C2)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5401803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUSJREHTLVWNQZ-ODIAZMNBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPPUHKCJFVESM-AQCYYTIQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFBAFFGSCGFCK-RFAHKMTNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZJWAFOJOSGEKL-UHFFFAOYSA-N", "SMILES:CN1C2CCCC1CC(Nc1ccccc1Br)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXZXYXZZVATSK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1OCCCCO[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVSOOLLONLEBDD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1OCCCCCCO[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUMJFWHWPZJWDQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1OCC(=O)OCc1c(-c2ccccc2)no[n+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCQHLONXAOICL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1OCCCC(=O)OCc1c(-c2ccccc2)no[n+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUZYRHGDMCIJGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1OCCCCCC(=O)OCc1c(-c2ccccc2)no[n+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPRZHBDUMRUEV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1OCC(=O)OCc1no[n+]([O-])c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OURHKSKACKUSEE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1OCCCC(=O)OCc1no[n+]([O-])c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYXNJBSACVDUTM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1OCCCCCC(=O)OCc1no[n+]([O-])c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNSGHBTORTAQL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1OCCCCCCOC(=O)c1no[n+]([O-])c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFLRXNPEIKCGN-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1ccc(Nc2ncnc3sccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYKIWQLLVBYQR-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncnc3sccc23)ccc1N1CCCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHAJXECAQRMDGY-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(N4CCCC4=O)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWGLUESPXVXCQJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(C#N)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXQSNBBPBIYDM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(C(F)(F)F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHNVDJAROSTCCJ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(Nc3ccc(NS(C)(=O)=O)cc3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEXVCWZVDXFFAS-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(Nc2ncnc3sccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBMKRSGIRFGMS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHNRALKCONYDTM-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Nc2ncnc3sccc23)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SICGGPLLGHZPFB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Nc2ncnc3sccc23)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKMHIIVUGVRHV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Nc2ncnc3sccc23)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTLIGCVGPQRHIB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(Nc2ncnc3sccc23)cc1)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVYLXIJAOLPMJN-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ncnc3sccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPQZVBRFYIUELA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTCJFZHNHXBGF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVQOYBCBABATB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cccc(-c3cc(OC)cc(OC)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCIXINWVKDXOGZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2csc(-c3cc(OC)cc(OC)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAWBIJKGFFUIFI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cn(-c3cc(OC)cc(OC)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHRJAVCXAUNBBO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cc(-c3cc(OC)cc(OC)c3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAWRGGNAZOBLCU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccnc(-c3cc(OC)cc(OC)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUNOATRUPGVURB-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cncc(-c3cc(OC)cc(OC)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHUKYMJGBZBNB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(-c3ccc(OC)cc3OC)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCEVWHIHGSZYEF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(-c3cccnc3)cs2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCCIDJLIDOUTOW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEJLHRSYTRXIQY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(O)cc3)cs2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIRWWRSMLZIOQC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(-c3ccc(OC)cc3OC)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGALBINQVPFOCK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKXSSIFWVPRCO-ONEGZZNKSA-N", "SMILES:COc1ccc(/C=C/c2ccncc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3421639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQGDNWFXAHWZQN-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(F)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4218514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUNRCRRAPBQORR-WRHIHAPESA-N", "SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(-c5ccc(OC)cc5)cc4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCVVIEZTMKMBGN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(-c3ccc(OC)cc3OC)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQSDGFMYTKPWOC-XTQSDGFTSA-N", "SMILES:O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OCc2cn(CCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCZTAHJFROOTO-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cn(C(=O)c2ccc3ccccc3c2)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPDEEPROJUWCY-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1cn(Cc2ccc3ccccc3c2)c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVUWPJXYMYLLE-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c2c(CC(=O)CC(O)CC(=O)O)cccc2o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1277701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPMKAZMPNDLKX-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5418159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXKRCJFEQQDDO-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2cc(F)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYAIEURMBAURT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKPZXJCLANTYGC-UHFFFAOYSA-N", "SMILES:COc1cccc2oc(-c3ccc(O)cc3C)cc(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPXWRPQEOTGRW-UHFFFAOYSA-N", "SMILES:CCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL165064", "category": ["biolink:ChemicalEntity"], "name": "ISOKAEMPFERIDE", "xref": ["InChIKey:VJJZJBUCDWKPLC-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5437683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDGCPLJSOWXJQC-BQYQJAHWSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc(/C=C/C(=O)NO)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVJFQLTLNVOKN-VOTSOKGWSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(S(=O)(=O)c3cccc(/C=C/C(=O)NO)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCCIPIPPRWMNTJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3cccc(NC(=O)CCCCCCC(=O)NO)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKZKGNONHNGTB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVROQBLQPGMOBQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc(NCc4ccc(C(=O)NO)cc4)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIGSSELZIPMFEM-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(F)c(NC(=O)C#Cc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGLMKPJDOJTFO-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2ncccn2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIRSQLGKCLDYSJ-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2ccsc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFHSPEKSWQTWLL-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2nccs2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGGIVGWYMSCND-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2ncc[nH]2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USJUPOQTPOFLDF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWEWUMAOGAJRFE-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKJUGGOUQDPMN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVKSBMZVONCPT-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMYFXWMIMLVCJ-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFRRKGINNPHMHR-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2ncc[nH]2)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRWPDQPAFWOQN-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2ncc[nH]2)ccc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNXLSWGWUOGGX-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2ncc[nH]2)ccc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPUQDMXGSSMSV-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2ncc[nH]2)ccc1OCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBZFSLRVDPBOO-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2ncc[nH]2)ccc1OCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKZIZOZKBBOCAH-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2ncc[nH]2)ccc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBZBOFHPSXVJH-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cc(-c2ncc[nH]2)ccc1OCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRDSGXKQKNURJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc(-c3ncc[nH]3)cc2NC(=O)C#Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAQWDQFCIKPFCH-UHFFFAOYSA-N", "SMILES:O=C(C#Cc1ccccc1)Nc1cccc(-c2ncc[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIIJRYSAAUQNMF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKBBKKLTSASRPU-BJMVGYQFSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)/C=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQFGVNXBMRSDGL-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZERJPDQJQQFZDN-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWLIXHERZWZAJ-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGOFDWAXBNRPKE-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSRULQBCHLBDH-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHMBNIOIPWBHET-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWHXDQOWSKLRN-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYVIYBBGCUYOJ-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOKZQZLXVBCQH-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSNDECYIJRAGKA-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USYCACRSMUSOQU-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCOJKQVBIGKRIH-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLKWPAPHRJUWLZ-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNOKOPKIWMEKI-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWMRSQUGHUXVSZ-UHFFFAOYSA-N", "SMILES:CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)C#Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAFBHKRYHPXZDP-UHFFFAOYSA-N", "SMILES:O=C(CNc1ccccc1)NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWIDWYWASPVGN-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1392502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLDUWMKXHKTLEW-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2[nH]1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUEWOUZZJCEIDJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKIYEKQTTZKLR-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKJBICYXBSDFT-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYUHAKWLSNXNQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDCFKAQUUBNSE-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2[nH]1)Nc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1289258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJMVNQAVYLDDM-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOQRGIGRZUHPQY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFCDNASRJXMSRP-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJTBTVKWLSOQTQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCCAGDLBQHYKMU-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBEIJSVYZPFQJQ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1456453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMPPNMLFBMVRLU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRNGCRSMIWAAU-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nc3ccccc3[nH]2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMDTYMRLPWIFX-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(Cl)nc2ccccc21)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXPADCKWPFVNPO-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(Cl)nc2ccccc21)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBNBJKKHJXBRDE-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(Cl)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVVKGVBDPZJGFH-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(Cl)nc2ccccc21)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYBTSNUEGPOIU-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2c(Cl)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULMBUCNKJDIBOA-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDYUDHWMLSEUBC-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGPBZYZYARENO-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHUSXFMOXFHBT-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWVSRQTZOCQOW-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDNENNSZDUCOX-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWAATYMMDYQJAV-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)Nc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFRSDHZTVVCKR-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEKDXUHIJCDODJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Cn1c(=S)[nH]c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSTVNUXXPAXMK-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Cn2c(=S)[nH]c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1319351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNUNABZQIBKHFZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2c(S)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFFAOCVQTVMCX-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)Cn1c(=S)[nH]c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIKKXXRLQWWCA-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Cn2c(=S)[nH]c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARXNELZDUZTGF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cn2c(=S)[nH]c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNSDEVNCCISJR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cn2c(=S)[nH]c3ccccc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBYONEWHVPHVJP-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHBROFNWFIUJA-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDNPLWDQYDXGMB-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1c(=S)[nH]c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEOQBIHGQLQBKG-UHFFFAOYSA-N", "SMILES:NNC(=O)Cn1c(=S)[nH]c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAQHNQBGIWBLLT-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)[nH]c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVHZMYAXZUIZKS-UHFFFAOYSA-N", "SMILES:[O-][n+]1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGKZTPAZDLMRT-UHFFFAOYSA-N", "SMILES:O=c1ccc(CO)cn1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBRVHKSSAOHJOY-UHFFFAOYSA-N", "SMILES:Cl.NC(Cc1ccc(=O)n(O)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBRVHKSSAOHJOY-RGMNGODLSA-N", "SMILES:Cl.N[C@@H](Cc1ccc(=O)n(O)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBRVHKSSAOHJOY-FYZOBXCZSA-N", "SMILES:Cl.N[C@H](Cc1ccc(=O)n(O)c1)C(=O)O"]}
{"name": "Tyrosinase", "xref": ["CHEMBL.TARGET:CHEMBL5465284"], "id": "UniProtKB:P07524", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1890"]}
{"name": "ADP-ribosylation factor GTPase-activating protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5465332"], "id": "UniProtKB:Q8N6T3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCJBJZFIQBPMM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Oc2nc(NCCc3cccc4ccccc34)c3ncn(Cc4ccc(-c5ccccc5)cc4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVDASJIHPBZHSP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(NC(=O)c4cc5cc(F)ccc5[nH]4)cc3)o1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUYKHPXWBXKQQ-UHFFFAOYSA-N", "SMILES:Cn1c(-c2c[nH]c3cc(C#N)ccc23)nc2ccc(C(=O)N3CCOC(c4ccccc4)C3CO)cc21"]}
{"name": "2',5'-phosphodiesterase 12", "xref": ["CHEMBL.TARGET:CHEMBL4523342"], "id": "UniProtKB:Q6L8Q7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIOQBYZRVQSNSJ-MHZLTWQESA-N", "SMILES:CCOc1nc(N[C@@H](Cc2ccc3c(c2)COC(C)(C)O3)C(=O)NC)nc(-n2cnc3ccc(C(=O)N4CCCc5ccccc54)cc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCYSLCYNUZNWEM-ZHACJKMWSA-N", "SMILES:O=C(/C=C/C(=O)c1ccc(F)c(F)c1)NCCOCCOCCNC(=O)c1cccnc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4452411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWMQARWVOOSFY-UHFFFAOYSA-N", "SMILES:CN(CCn1cccn1)C(=O)c1ccc(-c2cccc(C(=O)NC3CCCCC3)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYXMAANOUXWFDG-HNNXBMFYSA-N", "SMILES:Cc1cn(CC(=O)N[C@@H](CCCCn2cc(-c3ccncc3F)nn2)C(N)=O)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEGFGXZHXPFGIL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3ccc(C(=O)N4CCCC(N)C4)cc3n2C)c2ccccc21.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMDQARZDMAECAE-ZOLWKPHLSA-N", "SMILES:COc1c(C(=O)N2CC[C@H](O)[C@H](N)C2)ccc2nc(-c3cn(CC4CC4)c4ccccc34)n(C)c12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUYSFKQQJKKDD-UHFFFAOYSA-N", "SMILES:CCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(C(=O)NC)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAOGFGHTPYADT-UHFFFAOYSA-N", "SMILES:CC(C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDPLHRMLRXYXEL-UHFFFAOYSA-N", "SMILES:NCCOCCOCCNC(=O)c1cccc(NC(=O)OC2CCN(C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWKFBEHMNYXXET-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(C1=NC(C(=O)N(C)c3cc(Cl)c(F)cc3C(=O)O)C(Cl)S1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCURBAYEECZPJY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2cc(-c3ncccc3-c3ccc(Cl)c(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOQGILKBNUQVAH-OAHLLOKOSA-N", "SMILES:C[C@@H]1CC(=O)Cc2cccc(C(=O)NCCNC(=O)CSC(=S)c3ccccc3)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUEKEOWSPQVTOG-BVAGGSTKSA-N", "SMILES:CNC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)CN1Cc1ccc(O)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRQFLWTSGQTJY-LMXBDPGPSA-N", "SMILES:CNC(=O)[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2CNC(=N)N)NC(=O)N(C)C2CCOc3ccccc32)C[C@H]1c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMKAQVMVBLGFR-UHFFFAOYSA-N", "SMILES:CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEXYURPAPXPSR-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4n3)CC2)c2c(Br)cccc21)NCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTBKNWUTBVWMI-UHFFFAOYSA-N", "SMILES:NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVZVYHGUMZAHM-QVTSOHHYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2ccc(N3N=C(c4ccccc4)/C(=N/Nc4ccccc4)C3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOCVKGYKBLJEPK-LYBHJNIJSA-N", "SMILES:CCOc1ccccc1N/N=C1/C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUUXXJYXBBZCE-ZZXKWVIFSA-N", "SMILES:O=c1ccoc(/C=C/c2ccc([N+](=O)[O-])cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPYDAOXEYAWHMA-DHZHZOJOSA-N", "SMILES:O=c1ccoc(/C=C/c2ccc(-c3ccccc3)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VISOARNDLJUEQB-VMPITWQZSA-N", "SMILES:CN(C)c1ccc(/C=C/c2occc(=O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYFHKFJHVVTICQ-RMKNXTFCSA-N", "SMILES:O=c1ccoc(/C=C/c2ccc(N3CCCCC3)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPVPJUYPVWSXIL-ZZXKWVIFSA-N", "SMILES:O=c1ccoc(/C=C/c2ccc(N3CCOCC3)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPBDORXJSNXEE-ZZXKWVIFSA-N", "SMILES:O=c1ccoc(/C=C/c2ccc(N3CCSCC3)cc2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSQZATHGLTWGDK-SOFGYWHQSA-N", "SMILES:O=c1ccoc(/C=C/c2ccc3ccccc3c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULFKWIOJIKGITD-HWKANZROSA-N", "SMILES:COc1cc(/C=C/c2occc(=O)c2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXDLTJVKFHHGCL-HWKANZROSA-N", "SMILES:COc1ccc(/C=C/c2occc(=O)c2O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOJSQDBFVVBUQC-DUXPYHPUSA-N", "SMILES:O=c1ccoc(/C=C/c2ccc(O)c(O)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPGUXVFTRUQHN-AATRIKPKSA-N", "SMILES:COc1cccc(/C=C/c2occc(=O)c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBZEAWHPFJJCL-QPJJXVBHSA-N", "SMILES:CN1CCN(c2ccc(/C=C/c3occc(=O)c3O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUMYYTORLYHUFW-MSKIIMLESA-N", "SMILES:CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5411543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNEPKVBKFJCPLE-ZXDVGYGBSA-N", "SMILES:CC(C)C[C@H](NC(=O)N1CCN(C)CC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFDUHJUWBUZCC-XIGDBQDCSA-N", "SMILES:CC(C)C[C@H](NC(=O)N1CCN(C)CC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccc2ccccc2c1)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYTMTTFDCYWVMV-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nccc3ccc(Cc4ccccc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNSMWDHJFGJIK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nccc3ccc(Cc4ccccc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLVYHZWJVUXMOT-UHFFFAOYSA-N", "SMILES:COc1cc2ccnc(-c3ccc(OCc4ccccc4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARTQBCIGFSSHOE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-n2cc(COc3ccnc4cc(Cl)ccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVCJUCHVNOVKE-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(COc3ccnc4cc(Cl)ccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUDVBMKUUUSDZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2cc(COc3ccnc4cc(Cl)ccc34)nn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZUOMYWSLIRHQ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2cc(COc3ccnc4cc(Cl)ccc34)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGTRDJCFXOWRLY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(COc3ccnc4cc(Cl)ccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTJGSJBDTYLEI-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2cc(COc3ccnc4cc(Cl)ccc34)nn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXBDFNUFTNYSSQ-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-n1cc(COc2ccnc3cc(Cl)ccc23)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDBZKHPJCHZRMP-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ccnc3cc(Cl)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEIROFZZDCIYSD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWGIHMPLNMXJF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQYJVOLVVURDOX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(OC(F)(F)F)cc4)nc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGAPVFKMSQVQA-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(c2cc(=O)[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQLLUKPZDYQBPP-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTVNHYYHXZIBDV-JCMHNJIXSA-N", "SMILES:COc1cc(OC)c(/C=C2\\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKFXZZFUKHYMW-HSZRJFAPSA-N", "SMILES:O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc([N+](=O)[O-])cc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDOVFXVYFFDQN-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(NC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2C2CCCCC2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOSOXRVNLIMJT-UHFFFAOYSA-N", "SMILES:C=CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nc2sc3c(c2c1=O)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMBWJIZQBDACPO-UHFFFAOYSA-N", "SMILES:C=CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nc2scc(-c3ccc(Cl)cc3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QREZHYFIENHXDG-UHFFFAOYSA-N", "SMILES:C=CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSGOEOKOKOZQIH-UHFFFAOYSA-N", "SMILES:C=CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nc2scc(-c3ccccc3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJBHNZGYXQYGH-HSZRJFAPSA-N", "SMILES:O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1)Oc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5420035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCVLKMSRAEYAZ-XMMPIXPASA-N", "SMILES:O=C(Cc1ccccc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUIZMCVSEQATCZ-XMMPIXPASA-N", "SMILES:COC(=O)c1ccc(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPFIVXOUFNCEV-YDPIODPYSA-N", "SMILES:CCOc1ccc(NC(=O)N/N=C/c2ccc(C(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBJBPSIRQQOGLD-JOFFOTTNSA-N", "SMILES:C[C@H]1[C@H](OC(=O)c2ccc(/C=N/NC(=O)Nc3ccccc3F)cc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAXDVUNMOGQFSB-XXBJQPIASA-N", "SMILES:C[C@H]1[C@H](OC(=O)c2ccc(/C=N/NC(=O)Nc3ccc(F)cc3)cc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAXNPNAVBJKPK-YPHBLPMBSA-N", "SMILES:Cc1cc(C)cc(NC(=O)N/N=C/c2ccc(C(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDTHOJZGRUTZEJ-ZXWKGFGVSA-N", "SMILES:C[C@H]1[C@@H](Oc2ccc(/C=N/NC(=S)Nc3ccccc3F)cc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQFSIHNZCGESG-FOQXAZQQSA-N", "SMILES:Cc1ccc(NC(=S)N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBRHTROOFKCNR-FOQXAZQQSA-N", "SMILES:Cc1ccc(NC(=O)N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMXHBQVIQFEIMS-YNIFPYDMSA-N", "SMILES:CCOc1cccc(NC(=S)N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHSZZUZEAANITA-IJWBKCLRSA-N", "SMILES:O=C(/C=C\\c1ccc(O)c(O)c1)O[C@H]1CO[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFBXAIWOZMHLBO-FOCLMDBBSA-N", "SMILES:C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\\c1nnc(-c2c[nH]c3ccccc23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBYDRGNOALLEQQ-SDNWHVSQSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBVPEJUFLMAQR-DTQAZKPQSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEEJPXXOCKJRBK-DTQAZKPQSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/c2nnc(-c3ccc(Cl)cc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBZNPZLVYPKPG-BUHFOSPRSA-N", "SMILES:C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\\c1nnc(-c2ccco2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDSCFLMCSMCAAM-UKTHLTGXSA-N", "SMILES:COc1cccc(/C=C(\\C#N)c2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFPDVMOQWQFAOM-NTUHNPAUSA-N", "SMILES:COc1cc(/C=C(\\C#N)c2nc3ccccc3[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL200151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYSYABZOHYNMCH-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3218476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVTXVHIKQLAKZ-UHFFFAOYSA-N", "SMILES:O=CCNC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTWUKFUYPTDLA-PMACEKPBSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSXOQSYRMGNPE-VXKWHMMOSA-N", "SMILES:O=C(CF)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKMMRKMNRYVVBC-OALUTQOASA-N", "SMILES:CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXSOOYRHKJJEFB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccccc1)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPSZQTYGEXTGDY-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(-n2cncn2)cc1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNCZLSLIWRYYFM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(OS(=O)(=O)C3CC4OC3C(c3ccc(O)cc3)=C4c3ccc(O)cc3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVHWDDSELODJC-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccccc1C(F)(F)F)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBOGYVLQPXXUHI-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccc(C(F)(F)F)c1)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIWVNAEWXEBBT-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(C(F)(F)F)cc1)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVVULURNZJENJS-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccccc1Br)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSDMBBJSMFOLC-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccc(Br)c1)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNOJWBLQWGAJGX-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccc(Br)c1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(-n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCXSHGXMOMICT-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(Br)cc1)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKDPQSIONYDPGB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1cccc2ccccc12)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBWIFTBHIQEBHV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc2ccccc2c1)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMFQVFNSOYRPF-UHFFFAOYSA-N", "SMILES:COc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDOCRZJEVSRPZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBUXPNZZMCNQTC-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(F)cc1)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCSSZUDNSXXPP-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(F)cc1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(-n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAFLJQNFEGUISN-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(C(F)(F)F)cc1)C1CC2OC1C(c1ccc(-n3cncn3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKIIMWVWMVSBBB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(Br)cc1)C1CC2OC1C(c1ccc(-n3cncn3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNHGVGCQLJRMG-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(Cl)cc1)C1CC2OC1C(c1ccc(-n3cncn3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEQYCSDUJXUEG-UHFFFAOYSA-N", "SMILES:COc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(-n4cncn4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZZNCLVAMEKNX-UHFFFAOYSA-N", "SMILES:Cc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(-n4cncn4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVBAMWXAMZFSNR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(C3=C(c4ccc(O)cc4)C4CC(S(=O)(=O)Oc5ccc(C(F)(F)F)cc5)C3O4)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFAYPQPBOCQDK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(C3=C(c4ccc(O)cc4)C4CC(S(=O)(=O)Oc5ccc(Br)cc5)C3O4)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCFYJNDRKRMLX-UHFFFAOYSA-N", "SMILES:COc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(-c4cnn(C)c4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOLHYJNVXPPAKN-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)S(=O)(=O)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXCUFSUBAFSBJL-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)S(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJBKMCXFNHIRNX-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTOUBBXYRDHIPW-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJLZJNBIBKTCE-UHFFFAOYSA-N", "SMILES:O=S(=O)(C1CC2OC1C(c1ccc(-n3ccnc3)cc1)=C2c1ccc(O)cc1)N(CC(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJIIYMBFWROHY-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNFSUBBTUQGQK-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)S(=O)(=O)C1CC2OC1C(c1ccc(-c3cnn(C)c3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFAAMRVCDKNNPU-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)S(=O)(=O)C2CC3OC2C(c2ccc(-c4cnn(C)c4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHMRPMPVHMELZ-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(c1ccc(-c3cnn(C)c3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTWRRAJKUOTPCS-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(-c3cnn(C)c3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZBBIRHMHUYGI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(C3=C(c4ccc(O)cc4)C4CC(S(=O)(=O)N(CC(F)(F)F)c5ccccc5)C3O4)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRONDAGYHCRTTF-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(-c4cnn(C)c4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGZVAARDUEXLB-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)S(=O)(=O)C1CC2OC1C(c1ccc(-n3cncn3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCZHWVONQTUZII-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)S(=O)(=O)C2CC3OC2C(c2ccc(-n4cncn4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQVGZNOVRVKAT-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(c1ccc(-n3cncn3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWHHRNMFBYJONG-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(-n3cncn3)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVXXNOUZPPJCEE-UHFFFAOYSA-N", "SMILES:O=S(=O)(C1CC2OC1C(c1ccc(-n3cncn3)cc1)=C2c1ccc(O)cc1)N(CC(F)(F)F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOMLVRHYLMAGL-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(-n4cncn4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKEBYIPCJXMDRR-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(c1cnn(C)c1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVMFGZMHFCJDPQ-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAOGIJQWXOYGN-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1cnn(C)c1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXOYATPUAWOAFT-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCNJQFZSGJGVDA-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUQMLSGOTNKJKI-YTWAJWBKSA-N", "SMILES:CN1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17377", "category": ["biolink:ChemicalEntity"], "name": "FOSTRIECIN", "xref": ["InChIKey:ZMQRJWIYMXZORG-DSWNLJKISA-N", "SMILES:C[C@@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C\\C=C/C=C/CO)OP(=O)(O)O"], "synonym": ["Fostriecin", "Fostriecine", "Fostriecina", "Phosphotrienin", "CL 1565A", "CL-1565A", "NSC-339638"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein phosphatase 4 catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL5465552"], "id": "UniProtKB:P60510", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSNMFFYDVUEGJH-AZEWMMITSA-N", "SMILES:C[C@H]1C[C@@H]2O[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQZGTQVHYQLJT-BQHMLIOBSA-N", "SMILES:CCCCO[C@H]1C[C@@H]2O[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8327", "category": ["biolink:ChemicalEntity"], "name": "DEMETHYL-CANTHARIDIN", "xref": ["InChIKey:JAABVEXCGCXWRR-UHFFFAOYSA-N", "SMILES:O=C1OC(=O)C2C3CCC(O3)C12"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein phosphatase 5", "xref": ["CHEMBL.TARGET:CHEMBL5465272"], "id": "UniProtKB:P53042", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213327", "category": ["biolink:ChemicalEntity"], "name": "COENZYME_A", "xref": ["InChIKey:RGJOEKWQDUBAIZ-IBOSZNHHSA-N", "SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS"], "synonym": ["Coash", "Coenzyme a", "Coenzyme_a"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMVQWNRDPAAMJB-KRWDZBQOSA-N", "SMILES:O=C(O)CCCCCCCCCCCC[C@H]1C=CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5424523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEHMLSCACFSKHU-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGDQIGXMLHXSL-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1ccccc1I)NC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZBBQRXCYMXAEL-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1cccc(C)c1I)NC(=O)CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGLLMVFGNXMSU-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1cccc(OC)c1C)NC(=O)CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNLAAGZCBWJGZ-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CNC(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYRPIHZPCZPFR-VYRBHSGPSA-N", "SMILES:COC(=O)C(Cc1cccc(OC)c1I)NC(=O)[C@@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYRWUDPUZZKRH-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CNCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZYSCDXQIAFHW-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CCNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOABRRDVUWRPIX-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(NC(=O)CNCc2ccccc2)C(=O)OC(C)C)c1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBZZMFBYBNOPL-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CN(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDBIGXAHVZDOHO-UHFFFAOYSA-N", "SMILES:COc1cccc(CC2NC(=O)CN(Cc3ccccc3)C2=O)c1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKUSAVVKIPUKGW-UHFFFAOYSA-N", "SMILES:COc1cc(CC2NC(=O)CN(Cc3ccccc3)C2=O)c(I)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEUUMLTAKWOBW-UHFFFAOYSA-N", "SMILES:COc1cccc(CC2NC(=O)CN(Cc3ccccc3)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEIDCXSQUSSTJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CC2NC(=O)CN(CCc3ccccc3)C2=O)c1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPZNJWLUYAAEB-UHFFFAOYSA-N", "SMILES:COc1cccc(CC2NC(=O)CN(CCCc3ccccc3)C2=O)c1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPNWTCCALPCLY-AWQFTUOYSA-N", "SMILES:CC/C(=N\\N=C(\\N)S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTBLVLIYLABPS-CXUHLZMHSA-N", "SMILES:CC/C(=N\\N=C(\\N)S)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDYOAOPEFKVUMV-PTXOJBNSSA-N", "SMILES:C/C(=N\\N=C(\\N)S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJQYKRIBWNZUHM-WUXMJOGZSA-N", "SMILES:C/C(=N\\N=C(\\N)S)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKDKVOAUCBYJK-GIDUJCDVSA-N", "SMILES:C/C(=N\\N=C(\\N)S)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPYYHAXCDMFBU-JJPRUIFNSA-N", "SMILES:N=C(S)N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDIMOASDCOFPTD-LHHJGKSTSA-N", "SMILES:N=C(S)N/N=C/c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL421363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKIBPHYGDDNDE-UUILKARUSA-N", "SMILES:N/C(S)=N/N=C/c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGGWIXJNLRDBPW-VZUCSPMQSA-N", "SMILES:N/C(S)=N/N=C/c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDGIFUBPAVQFCJ-GZTJUZNOSA-N", "SMILES:C/C(=N\\N=C(\\N)S)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMPMQMUBMCYOI-GZTJUZNOSA-N", "SMILES:C/C(=N\\N=C(\\N)S)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIVBHRWDXJLBI-GZTJUZNOSA-N", "SMILES:C/C(=N\\N=C(\\N)S)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL181504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWBXQAVLYJGIL-LFIBNONCSA-N", "SMILES:CCCC/C(=N\\NC(N)=S)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL183767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWCNBDPTWLOJL-XMHGGMMESA-N", "SMILES:N/C(S)=N/N=C(\\Cc1ccccc1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WETWRBCEFGLZHJ-XMHGGMMESA-N", "SMILES:NC(=S)N/N=C(\\CCN1CCCCC1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKIRNWCTIDLSV-QGOAFFKASA-N", "SMILES:NC(=S)N/N=C(\\CCN1CCOCC1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGNPCMACNPWDDO-LDADJPATSA-N", "SMILES:NC(=S)N/N=C(\\CCn1ccnc1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3329250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBFXRILLHFSHIH-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2CC(Br)=NO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZHPPJUFHBQEQF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C2CC(Br)=NO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAQLOIJOUOMGS-UHFFFAOYSA-N", "SMILES:BrC1=NOC2(CCCc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMIRDGLJFPSBM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)CCCC21CC(Br)=NO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3585922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JESMSCGUTIEROV-RTWAVKEYSA-N", "SMILES:CC(C)[C@H]1CC[C@@]2(CO2)[C@H]2C(=O)OCC(C(=O)O)=C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5410887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJHQPFNNPMZWJH-RELWKKBWSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMBCZRHOTMOFHO-FCDQGJHFSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c/c(=N\\O)c4ccc(OC)cc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPBUOOSSZPDGTF-NLRVBDNBSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRVSWOOUWHHBMD-PTGBLXJZSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYFFGJDVNBOEF-PTGBLXJZSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHBTMYEZIAARC-PTGBLXJZSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBLINUKRIQNGT-RELWKKBWSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPFAYZZGKECRY-PTGBLXJZSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZOJCBKMBEANR-YZSQISJMSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVCZEGIFVHAMI-HKOYGPOVSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDZWUKEYNHSOV-HKOYGPOVSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSRISILVMLDHT-HKOYGPOVSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRZXFULDSKQBH-PTGBLXJZSA-N", "SMILES:COc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKJHLUPSKWTDU-FCDQGJHFSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c/c(=N\\O)c4ccc(C)cc4o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJMGZCYEHGLCU-PTGBLXJZSA-N", "SMILES:Cc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSWQTAYFEXQUKY-RELWKKBWSA-N", "SMILES:Cc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAWMYFGCQXIKQ-HKOYGPOVSA-N", "SMILES:Cc1ccc2/c(=N/O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLOIHTXBBMMCS-HKOYGPOVSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c/c(=N\\O)c4ccc(C)cc4o3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIJZCLAKVMPBQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc3[nH]c4c5[n+](ccc4c3c2)-c2ccccc2C5=O)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSUKABIHFAZQF-UHFFFAOYSA-N", "SMILES:CCCCCCCCNC(=O)c1ccc2[nH]c3c4[n+](ccc3c2c1)-c1ccccc1C4=O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSMOJZSFIUKKD-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)c2ccc3[nH]c4c5[n+](ccc4c3c2)-c2ccccc2C5=O)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RASIABPCQHCLNS-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1ccc2[nH]c3c4[n+](ccc3c2c1)-c1ccccc1C4=O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMPAGVPIXWTEW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHSAKEJSVZPPDM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3F)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVHFYMRLWNJFJE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3Cl)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPRCZBNYYCQQKY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3C)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVTWKLGWJTBBC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3C(C)(C)C)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVQNVWAHPADJAA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3OC)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIRVHXGHEVPRRJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3OC(C)C)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTJRRYDBKBLJB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3P(C)(C)=O)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSIFFDHYJKXOHE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVKSLTSWAADBFD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKOMHAZBZILEQD-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN(C)C3)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWLZWFQMXICBNW-UHFFFAOYSA-N", "SMILES:CCCN(CCC)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN(C)C3)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGZYJJWYZQVPSC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N3CCC3)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNIKZJBAFHHDP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N3CCCC3)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMXJTHXQASHJKL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N3CC(C)(C)C3)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILMXTYHURLPYON-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N3CCCCC3)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSPGDUKEFDGHJB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N3CCC(C)(C)CC3)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQGHLJCQQYZHF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N3CCOCC3)c3cc[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCBOOIXEJYWBOT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4ccoc4)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGXUUSZQHEFPH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4cn[nH]c4)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLCNXFJBWEHDU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4cnn(C)c4)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOTHWMPARWFJSY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4c[nH]nc4C)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWEHRXROECQGDT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4c(C)noc4C)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUAFQZMOAIBXEI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4ccncc4)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFANRIFEXGNPK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4cccnc4)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEWJXOOYRJSJGV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4ccc(N)nc4)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNDMCIZWLTNLP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4ccn(C)c(=O)c4)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTFKKNHGPXEEM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4cccnc4C)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWLJSQXXFVFQQZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4cnccc4C)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWCSXWOZYNSCL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N3CCC3)c3c(-c4cccnc4)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAOIZFKYQRWOQT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N3CCCC3)c3c(-c4cccnc4)c[nH]c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZGOGAZTUZSML-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(Cl)c(Nc3nc(Nc4ccccc4S(=O)(=O)N(C)C)c4c(-c5cccnc5)c[nH]c4n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVDRWCMPLLRCK-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(Nc3nc(Nc4ccccc4S(=O)(=O)N(C)C)c4c(-c5cccnc5)c[nH]c4n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFYAMCXZFAQCDO-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(Nc3nc(Nc4ccccc4S(=O)(=O)N(C)C)c4c(-c5cccnc5)c[nH]c4n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNWHTEIWDJGQMD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4cccnc4)c[nH]c3n1)CN(C(C)C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OICLXKVCGFFZTM-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)N(C)C)c2c(-c3cccnc3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYUGUGXZLHUOQ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)N(C)C)c2c(-c3cccnc3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REGCLKJEMDAIPK-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)nc2[nH]cc(-c3cccnc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZYUEXZMPJOEI-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4cccnc4)c[nH]c3n2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXQIEGJYDCQEV-UHFFFAOYSA-N", "SMILES:CCOc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)N(C)C)c3c(-c4cccnc4)c[nH]c3n2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQOPNIPUIOXHU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)c3ncn(C)c3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INDQWCZNKQMMFM-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2nc(Nc3ccc(F)cc3)c3ccn(C)c3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKGYADXPBFKJF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccc3N)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYODONJIAXEBI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3cccc(N)c3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKROYJHFBHSTHS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(N)cc3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKWFDRNYWEWTP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDFKVQEJORMLW-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGOWBJCHLZQMHJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CN)cc3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFKHRZPAXCXOZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(-c3ccc(CN)cc3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUDXERZEQBGCRF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CN)cn3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUPIRUJKOJAAJO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(C4(N)CC4)cc3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWEFBBSZKMRJAP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccc3CN)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEFZBIMHEUWDHN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3cccc(CN)c3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUMERAOZKVEGF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc4c(c3)CCNC4)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZNJOQKABIINMG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc4c(c3)CNC4)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMZQOXVWTNJJND-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(N4CCNCC4)cc3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKKSCQGVUDMFY-VIQWUECVSA-N", "SMILES:Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C5)N6)ccc4C3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPBKAULKEZVMCU-UHFFFAOYSA-M", "SMILES:COC(=O)CC1COc2c(cc3c4c2CCCN4CCC3)-c2c(NC(C)(C)C)n3c(-c4ccc(F)cc4)c(C)sc3[n+]21.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGNRFFWUGNXRFD-CVDCTZTESA-N", "SMILES:CC1=C(c2cccc3c2OCO3)N2C(=N[C@@H]3c4c(ccc5ccccc45)OC[C@@H]3C2(C)C)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSOCSLLVKCMJG-HOFKKMOUSA-N", "SMILES:CC1(C)[C@H]2COc3ccc4ccccc4c3[C@H]2N=C2SC=C(c3ccc(S(=O)(=O)N4CCOCC4)cc3)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBZJTIPPUVARQN-ZCYQVOJMSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(OC)c(OC)c1)N1CC(c2cc(C)ccc2O)=N[C@@H](Cc2ccc(OC)c(OC)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGJUHHCZGFMJW-IGRMUBEDSA-N", "SMILES:COC(=O)[C@@H]1CC2(C(=O)Nc3ccccc32)C2CC[C@@]3(OC)C=CC(=O)C[C@H]3N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEYBHHRPAHBSAR-LYGOBDSISA-N", "SMILES:COc1ccc2[nH]cc(CCN3C(=O)[C@H](c4nnc(-c5cccc(C(F)(F)F)c5)o4)[C@H](CC(=O)O)COc4ccccc4[C@@H]3C(=O)NC(C)(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWTYAOYPDDREZ-ZWEKWIFMSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)C[C@]1(OC)CC[C@H]2c4[nH]c5ccccc5c4CCN2[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOAOOLEKLMLLF-QIONWKSUSA-N", "SMILES:C[C@]12C=CC(=O)C[C@H]1N1CCc3cccc4[nH]cc(c34)C1CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYVANUIDMFSJLU-HFDPGIMJSA-N", "SMILES:FC(F)(F)Oc1ccc(N/N=C2/C=C[C@@]3(CC2)CC[C@@H]2NCCc4cccc5[nH]c3c2c45)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDYJISHLNNGZQV-ZWEKWIFMSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)C[C@]1(OC)CC[C@H]2c4c[nH]c5cccc(c45)CCN2[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFQUTFRPWQDRIQ-BJLQDIEVSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNRKARETYFCIC-UOWOTMNNSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRJVKVZQYCAHT-NYVOZVTQSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUEUBVZFTGWFKO-YFBFILOSSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)(C(=O)NC1CC1)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBTZGNCQFCDGNF-BJLQDIEVSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFQUTFRPWQDRIQ-VKULXEKBSA-N", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C(C)(C)Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNRKARETYFCIC-KLFQEDKBSA-M", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-])C(C)(C)Sc1ccccc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQGBCGKBHRXAPH-PBSKCCSASA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)[S+]([O-])c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWBBDKMZQPEJU-GPWMLPTDSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)[S+]([O-])c1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXJAVGQTBNOAKV-BJLQDIEVSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXRJXSKAQESBA-UOWOTMNNSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNQBESMSXHMPK-QRFRQXIXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1cccc(F)c1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJDVJNQAKIMFBH-IOTRMSRUSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1cccc(F)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NROLNSNNABEALX-QRFRQXIXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccc(F)cc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXRDKBHWZPWUCA-IOTRMSRUSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccc(F)cc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIYPNWVVYEAOU-QRFRQXIXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUWYZXFXRHFQHC-IOTRMSRUSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWXJZMWFCKTWBW-LNLFQRSKSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCCSc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHKHNOWQMIKXJC-FCSMXUNPSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCCSc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZKRVGGXWOHLKY-ZWOKBUDYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1nc2ccccc2[nH]1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDKYHIQFBWPAHD-IOTRMSRUSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1nc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDWWSOGWAUAPBO-BJLQDIEVSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVUURBOCYNRCHY-UOWOTMNNSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBJZVUPGWANLHC-QRFRQXIXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1ccc(Cl)cc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADIZQLRGNOMLQY-IOTRMSRUSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1ccc(Cl)cc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBJZVUPGWANLHC-RIERNIPTSA-N", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C(C)(C)Oc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADIZQLRGNOMLQY-UZRNEAQMSA-M", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-])C(C)(C)Oc1ccc(Cl)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZZBPHZWCRITM-QRFRQXIXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1cccc(Cl)c1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGVGSJWAIMTKAY-IOTRMSRUSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1cccc(Cl)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZZBPHZWCRITM-RIERNIPTSA-N", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C(C)(C)Oc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGVGSJWAIMTKAY-UZRNEAQMSA-M", "SMILES:[2H]C([2H])(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-])C(C)(C)Oc1cccc(Cl)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQVFTHUFHJOPN-QRFRQXIXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULXOOYYDMYNTR-IOTRMSRUSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMUYBYVCNWUNMY-QRFRQXIXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1cccc(F)c1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOSRFARATSQWJO-IOTRMSRUSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1cccc(F)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCGFSUQDWYZCH-JLISXIFJSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(O)c1cccc(Cl)c1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSKHDUVNVQYLID-ITMSHXEOSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC(C)(O)c1cccc(Cl)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMZAOLUQDPIBJV-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc2[nH][nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMHPGKXSWXCICB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH][nH]c(=O)c2c1)c1ccc(C(F)(F)F)cc1N1CCCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFILRDQSXJNURT-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2[nH][nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQIQKHXMJRQPJX-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3[nH][nH]c(=O)c3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDQNNKQTHOQHO-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1ccn(COP(=O)(O)O)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKBHKNMYLFPDGP-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3o[nH]c(=O)c3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIDXREXVLYVFET-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGSXZOXGFOBHNN-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)CNC3=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWJNMZOLFBJCDV-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)NC(=O)C3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFAZJRYDPXFCC-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GELVWVRKYSSIDH-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGHGQALUCEENA-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMVYFJWKIOZKZ-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(=O)[nH]cnc3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKCXHXQEIRRMB-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3cc[nH]c(=O)c3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYCGZYBHROPUQU-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCZGVBTHMDWTR-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(=O)[nH][nH]c(=O)c3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCOEACTPGEYQZ-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(=O)[nH]c(=O)[nH]c3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBTPHRQMFWJPTK-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCCCC2)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGDYKABKURJMP-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIBJQPUKMRRWMQ-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OERXXZPJEDIWDH-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccc(NC(=O)c3cc(Cl)cnc3N3CCCC(F)(F)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDHIKCDDNFSIDW-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJIBFNOXYJOGR-UHFFFAOYSA-N", "SMILES:CNc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJFWUKKNBXPNAT-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZLYVZDICGRSE-UHFFFAOYSA-N", "SMILES:COc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIAOWLAGZOHBI-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccc(NC(=O)c3cc(Cl)c(F)nc3N3CCCC(F)(F)CC3)cc21"]}
{"name": "Sodium channel protein type 10 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL5158"], "id": "UniProtKB:Q6QIY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKBTPQDHDSBSP-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297317", "category": ["biolink:ChemicalEntity"], "name": "PF-06305591", "xref": ["InChIKey:APWZIFIAVVFPNT-PELKAZGASA-N", "SMILES:C[C@@H](C(N)=O)[C@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1"], "synonym": ["Pf-06305591", "PF-6305591"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5403602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQIXHZAOSUMFR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3ccc(O)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMCNDLUFXPCOOE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3ccccc3O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARDQFYIDVGLOW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3cccc(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXFFSOKSQAVGQD-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPYJZYHIIFOOS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAZFECXJTZEKQY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQHUBFALFNTCIB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3ccc(C(F)(F)F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVLXIGHBVSHMD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3ccc(N4CCOCC4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIRDMYGUQVUYTP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3ccc(OCCN4CCOCC4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGRROERLKGRQKE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cc(C(=O)NCc4ccc(C(=O)NO)cc4)ccn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTPPCSXPANIXLH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWHOESHWTHCMLP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRJQZDPAGCKASQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJSCLVYZFJTFY-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3cccc(N4CCOCC4)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCCJOEOENYEKKI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3ccc(N4CCOCC4)c(Cl)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUBXMQAHOAIOG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCMYMJYVLUDHRM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)c(O)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQTJAKDTFBMTKJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)c(O)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWDTYGBWANFGR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ncc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDKZFDFLAFTRX-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)c(O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZYCHAQCSKIGFQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2cncc(-c3ccccc3O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWSHJIDSLYHZGH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2cncc(-c3ccc(C(F)(F)F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXZZDGKAEIAULG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cncc(C(=O)NCc3ccc(C(=O)NO)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWWXAUVVTLETIP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(C(=O)NCc3ccc(C(=O)NO)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVBJTJVVRISMW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cncc(C(=O)NCc3ccc(C(=O)NO)cc3)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYQFKVOPBGHPQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cncc(C(=O)NCc3ccc(C(=O)NO)cc3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OELIVNXEBZGJGO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)cnc2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAAKGTUHALVVRF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccn(Cc4ccc(C(=O)NO)cc4)n3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZDVZSHIAKMDMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccn(Cc4ccc(C(=O)NO)cc4)n3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVFRFERRHSJPDJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccn(Cc4ccc(C(=O)NO)cc4)n3)ccn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIFRNKHUZHRQGI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3ccc(OCc4ccccc4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCBHRYFZHGKKN-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc(C(=O)NCc4ccc(C(=O)NO)cc4)ccn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLNFSNFANRIFJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGSSGAQPIHPOK-UHFFFAOYSA-N", "SMILES:Cc1c(N)cccc1-c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBDRRINLWOVOP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEZTMKDKRFIQY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cncc(C(=O)NCc3ccc(C(=O)NO)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRYMTBGEMJLVPK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)cnc2-c2ccc(C)cc2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPSYEXGYSDGGD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)cnc2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHCJWPPUOYVTE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N3CCN(Cc4ccc(C(=O)NO)cc4)CC3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJIPHHREWQVMGN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCN(c3ccnc(-c4ccc(N5CCOCC5)cc4)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDGPTRYCVXDQS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)c3cc[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLGZSBFZVNPLL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2cc(-c3ccc(N4CCOCC4)cc3)cc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKCAARMMNTGTB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYLVODBIQNLOCF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2cc(-c3ccc(N4CCOCC4)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095243", "category": ["biolink:ChemicalEntity"], "name": "INCB-059872", "xref": ["InChIKey:WBPWDDPSYSUQJA-VQTJNVASSA-N", "SMILES:COCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC2(C(=O)O)CCC2)CC1"], "synonym": ["Incb 59872", "Incb-059872", "INCB059872"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQJNPZTPKFTFL-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZDFACOFNRTMG-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3cc(F)ccc3F)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPOIFDTUJGSBW-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3cc(Br)ccc3Cl)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGBYRNKDSLEHW-YGUOUDRMSA-N", "SMILES:CNc1ncc2cc(-c3cc(Br)ccc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHNEYJBIRCBSR-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3cc(Cl)ccc3Cl)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGFCLUXIWWFKE-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3cc(C(F)(F)F)ccc3Cl)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZJHTRTELKUDE-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3cc(Cl)ccc3Br)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEWQJQIZQOZLRR-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3cc(Br)ccc3Br)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NELFAFAXIZFQJB-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3cc(F)c(-c4cccc(C)n4)cc3F)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBWCVGOOQVANC-FBDWWTLJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCCCN)C(C)(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJBAFWBHDMSCQY-ODKJCKIQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCON=C(N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJHLWMBZZZFOZ-ODKJCKIQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCON=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJDVJFDIZHGCCP-AUUFLVQBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCON=C(N)N)NC(=O)[C@@H](N)CCON=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYKXBYFHNTEPF-VNPODFCCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCON=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOZVJWYBJCNNP-VNPODFCCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCON=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL423487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUSIFRCPTQSXJB-XSXWSVAESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUCYSCQPOHNTGD-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1420247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEQSBMDPEZPFFR-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)OCC(CNc1[nH]cnc3ncnc1-3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGBPSNPLOZKQCB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(NC(=O)CC)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAWFNUSZVSSLJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWMYPDAEREVNO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(O)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOEBAQBSIASRNL-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2CCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSQRAFSLQJGENZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2CCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQGAIWGOIZJGA-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWYNYCCFQVSEKU-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZWIAWLWFCTCN-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWPXRNATCFTRM-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHHXHDXJIAYXOL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(O)c4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCNQZXVLFQYQOJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc3[nH]ccc23)nc2c1[nH]c(=O)n2CCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVZJHKWBLHBCRR-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc3[nH]ncc23)nc2c1[nH]c(=O)n2CCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDKKEHMGDIKNA-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVVAILUXDUQOI-UHFFFAOYSA-N", "SMILES:CC(Cc1ccc(Cl)c(Cl)c1)n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(O)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTSIGWYRXHESPM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CCn2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(O)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOXIVEJULZXKBT-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2CCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJXYMLIIHQKXGP-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCIUVXYMBZUSCO-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1-c1nc(C(N)=O)c2[nH]c(=O)n(CCc3ccc(Cl)c(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJZIHYCFMPODRC-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2CC1CCS(=O)(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWUZFAXTXPIOTO-UHFFFAOYSA-N", "SMILES:COc1cc(NCc2ccc(C(=O)NO)cc2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZJSBABBMOGMV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNc2cccc3ccc(F)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBJSIVYYFMWHLD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC2CCCc3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOERBRZISCPNSE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCc3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBVSIFKILARVFB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCc3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRALAZOBAVZSHO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCCc3cccnc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKRFDUMLDBACPG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC2CCCc3cccnc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYXAXMIVPHTIMR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCc3cccnc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTLWMFHXZBAOY-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NO)ccc1CN1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITUSIRTVVZQOQK-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCCc3cccnc32)ccc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1186585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDUFIRTIFUTQA-UHFFFAOYSA-N", "SMILES:O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEZJAHLAEKXBTP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2c(SCCCCCn3cnc(CN4CCOCC4)c3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZDWYDHEBCGCG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXIUMAOXORBRCY-UHFFFAOYSA-N", "SMILES:OCCNC1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1370630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBNZBMVRFYREHK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1619630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWKMVRBQXNZKK-LLVKDONJSA-N", "SMILES:O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2153773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZFPDBGJXKBKGL-UHFFFAOYSA-N", "SMILES:C=CCOC(=O)C1=CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNALUYKEGYUHQC-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKZPXRJRPYADG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRNZQCNGDYVDZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1)c1ccc(C(=O)Nc2cccc(Oc3ccc(C(=O)O)c(C(=O)O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRWDSKWWXPDKEY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3cccc(C(=O)Nc4ccc(N5C(=O)c6ccc(C(=O)O)cc6C5=O)cc4Cl)c3)c(Cl)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIORNXZVRJYDBY-UHFFFAOYSA-N", "SMILES:Oc1ccc(I)cc1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOPKEALWDDJKJP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc3sc(-c4cc(I)cc(I)c4O)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFMNAUOFCYGEF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc3sc(-c4cc(I)ccc4O)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXZJGDDDABEMH-UHFFFAOYSA-N", "SMILES:Oc1c(I)cc(I)cc1-c1nn2c(-c3ccccc3)nnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL423688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYGKLUZBVEGOM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nc4cc(-c5ccccc5)ccc4o3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJZHQOYWKWXFTD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nc4cc(-c5cccc(Cl)c5)ccc4o3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJXXISVLDHANX-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc3oc(-c4cccc(N5C(=O)c6ccc(C(=O)O)cc6C5=O)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUKJVNZIZOIKOJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nc4cc(-c5cccc(-c6ccccc6)c5)ccc4o3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL114134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVOLROGRUDJPRI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4cccc(Cl)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEKZDNHTXHLTHH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4cccc(-c5ccccc5)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRUBIVROOPRHO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4cccc(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEVACLRCDODVMV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4ccc(Cl)cc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL321169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEAHZDKWFFRAL-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKUCEAMOZLPSI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL321645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YORMFHAYKAUGEW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITWDJLFSHWLCS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4cc(F)cc(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVHQGDKKROBWJO-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3cc(F)cc(F)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPDILOMRIXJFX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4cccc(C#N)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMMAOGFLJMZTK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3oc(-c4ccc(OC)c(N5C(=O)c6ccc(C(=O)O)cc6C5=O)c4)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFHAKWJMMOZDR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3oc(-c4ccc(OC)c(N5C(=O)c6ccc(C(=O)O)cc6C5=O)c4)nc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WITAEDNLANZMNY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4ccc5c(c4)OCO5)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVNSRMVOTVCMB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(-c4ccc(OC(F)(F)F)cc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKPRSYWBGNLBR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOKNKZKSOUFRP-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHEWRVXZHANEOC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJCSANDVNPLEFQ-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZQKZNOVQPFRJ-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL110076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKHNAIXPXYEML-UHFFFAOYSA-N", "SMILES:CCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL321840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZMPZPAKKJGDTA-UHFFFAOYSA-N", "SMILES:CCCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBONRZAYEPNOIB-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMJSVHWQDAAMB-UHFFFAOYSA-N", "SMILES:COCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMDKBANBIGQKI-UHFFFAOYSA-N", "SMILES:CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3cccc(Cl)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPYKEZMAYGKLF-UHFFFAOYSA-N", "SMILES:CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3cc(F)cc(F)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGJZMYAKOHKOKY-UHFFFAOYSA-N", "SMILES:CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(F)c(Cl)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJXRPYUEKLYQZ-UHFFFAOYSA-N", "SMILES:CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL449422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNMDGSNXLAWNET-UHFFFAOYSA-N", "SMILES:CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWDRCQFPAPMOG-UHFFFAOYSA-N", "SMILES:COCC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6nccnc6c5P(C)(C)=O)n4)cc3C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHJLBTWJXYJOV-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CC(CC#N)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIBMBSGTUYHJW-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CC(CO)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHCYUJPZBJVBN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CC(C(C)(C)O)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQSZTXIJOORDU-UHFFFAOYSA-N", "SMILES:COCC1(C)CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6nccnc6c5P(C)(C)=O)n4)cc3C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSJKIAOJNJHER-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CC(C)(CO)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPRBUIUQXHALH-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CC(F)(CO)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQKNZJQFUMMII-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C(C)=O)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIFTHFMWAAWND-HSZRJFAPSA-N", "SMILES:COc1cc(N2CCC(N3CC[C@@H](N(C)C)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAXXUHEOSWMPV-SZPZYZBQSA-N", "SMILES:COc1cc(N2CCC(N3C[C@H]4COC[C@H]4C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCZHAJCRYMQIL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)CCN(C)C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYWFTRMZVGSUHX-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CC(N(C)C)C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBYCRRMFLQKOP-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CC(N(C)C)C3)CC2)c(C)cc1Nc1ncc(SC)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBMQBZGCNNDJPN-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(Cl)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CC(N(C)C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCUIHVQDBWQHU-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ncc(C(F)(F)F)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CC(N(C)C)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHAFOIXACHKEM-OAHLLOKOSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKUIDNBYAHJQB-HXUWFJFHSA-N", "SMILES:CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nc(-c3ccc(Cn4cc(CCCF)nn4)s3)no2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPLQAMVXCDXOBY-JOCHJYFZSA-N", "SMILES:CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nc(-c3ccc(Cn4cc(CCCCCF)nn4)s3)no2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYYIJNBJSICFM-MRXNPFEDSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)N(C)[C@@H](C(=O)O)C(C)C)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQWSIABFGAXAW-QGZVFWFLSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)N(CCF)[C@@H](C(=O)O)C(C)C)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWUOGBAWSSAHQE-LJQANCHMSA-N", "SMILES:CCCCN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c1ccc(-c2nc(-c3ccc(C)s3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPLRBWLQWBZIO-LJQANCHMSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)N(CCCCF)[C@@H](C(=O)O)C(C)C)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZHMZJYVSCWQIX-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)N(CCCC(F)(F)F)[C@@H](C(=O)O)C(C)C)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OURSUJYXZLSVCS-GOSISDBHSA-N", "SMILES:CCCN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c1ccc(-c2nc(-c3ccc(C)s3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDTTWNHVVUKYIR-HXUWFJFHSA-N", "SMILES:CCCCCN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c1ccc(-c2nc(-c3ccc(C)s3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBCANQMNSDCGQ-OAQYLSRUSA-N", "SMILES:CCCCCCN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c1ccc(-c2nc(-c3ccc(C)s3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJSRGKGYVLRYOM-HSZRJFAPSA-N", "SMILES:CCCCCCCCN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c1ccc(-c2nc(-c3ccc(C)s3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEIMJONTDDZIV-JOCHJYFZSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)N(Cc4ccccc4)[C@@H](C(=O)O)C(C)C)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHNQTDVDORDMCY-HHHXNRCGSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)N(CCCCCCCCCCCCN=[N+]=[N-])[C@@H](C(=O)O)C(C)C)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRZVEDVZYSFIST-HSZRJFAPSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)N(CCOCOCCCOCCN=[N+]=[N-])[C@@H](C(=O)O)C(C)C)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECXUVFFBJOEDM-BZFZSXTCSA-N", "SMILES:C[C@H](Cc1cc(C(=O)O)co1)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFVIRAAXLGPRMK-DYEWXVTBSA-N", "SMILES:CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@@]4(C)[C@H](C)Cc4cc(C(=O)O)co4)C3=CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKDGWGGMJODFU-LYWHUZORSA-N", "SMILES:C[C@H](Cc1cc(C(=O)O)co1)[C@]1(C)CC[C@]2(C)C1=CC[C@@]13C[C@@]14CC[C@@H](O)C(C)(C)[C@@H]4CC[C@H]32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL558710", "category": ["biolink:ChemicalEntity"], "name": "ISOMANGIFEROLIC ACID", "xref": ["InChIKey:CYHOTEDWAOHQLA-AKGXXHIGSA-N", "SMILES:C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL565135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPLTMNXKKXXII-CYWJYPAKSA-N", "SMILES:C[C@H](CC/C=C(\\CO)C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5422596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSYHCQGAMQBMM-UHFFFAOYSA-N", "SMILES:CCc1oc2cc(O)ccc2c1C(=O)c1cc(I)c(O)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSHEZAHMWWCGP-UHFFFAOYSA-N", "SMILES:CCCCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKKMLTUPBZCIC-KEBDBYFISA-N", "SMILES:CC1(C)C=Cc2c(ccc(/C=N/NC(=O)c3ccc(O)cc3O)c2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSGPZRYINKGIS-YSEXAXPISA-N", "SMILES:C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C/[C@@H]5O[C@H]5CCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVATFQHCNYYBT-LCPCGAMTSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CC(N)CC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CSSC[C@H](C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDCFWBETVRCLB-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)c2cccc3ncccc23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYDKTDYXWWYAL-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPWYKYKEJALSQ-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)c2ncccc2Br)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNKEDYITCRWDQ-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)C2CCCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYRRJNEVCMDOB-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)c2ccc(Br)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSANGPIIDLEMGJ-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)c(NC(=O)c2ccc(Br)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLXOCAUFDXKIRE-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)c2ccn(CC3CCOCC3)n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGSFILOQOHOJCA-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)c2ccn(CC3CCOCC3)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARPFUCPGRQPNM-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)c2ccc(=O)oc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVKSVQKBDXZLA-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRUWFQUXRYIAP-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)c2ncc(F)cc2Br)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILCAENWLDHSREZ-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)C2(c3ccc(Br)cc3)CCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCFYSNXYPHNIH-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)Nc2cccc3ncccc23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKRKEFFERSFAR-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMAQNWXCOKWCW-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)NC2CCCCC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFXKJXIRCYGEZ-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGZVOQOJTLFFOS-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJWVWMODFFXGD-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHVFCJFXQODKLN-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NS(=O)(=O)c2cc(F)cc(F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJFILZHJTOBBBM-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNJRUSGYZSMBHY-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NS(=O)(=O)c2cccc3cccnc23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWJCNVEIXENJG-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NS(=O)(=O)c2ccc(F)c(F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRGGIACGWDSRDF-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNJYMWYYIYQGQ-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NS(=O)(=O)c2cccc(F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVFCPKQXYDWAN-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOFJZDHPWDGTIL-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(NS(=O)(=O)c2cc(F)ccc2F)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRPEVRBXWIDMR-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCc1cc(O)c(NS(=O)(=O)c2cc(F)cc(F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWNBLUVAGPITCP-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cc(O)c(NS(=O)(=O)c2cc(F)cc(F)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHNOMDZIRBNZRF-UHFFFAOYSA-N", "SMILES:O=C(CCc1cc(O)c(NS(=O)(=O)c2cc(F)cc(F)c2)c(O)c1)OCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRFOLHARIYFEOU-UHFFFAOYSA-N", "SMILES:O=C(CCc1cc(O)c(NS(=O)(=O)c2cc(F)cc(F)c2)c(O)c1)OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMBURSCZRFJSHY-UHFFFAOYSA-N", "SMILES:O=C(CCc1cc(O)c(NS(=O)(=O)c2cc(F)cc(F)c2)c(O)c1)OCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWQAMFYQSWEGFU-UHFFFAOYSA-N", "SMILES:COc1ccc(COC(=O)CCc2cc(O)c(NS(=O)(=O)c3cc(F)cc(F)c3)c(O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPOYIQZPXIHSK-UHFFFAOYSA-N", "SMILES:COc1cc(COC(=O)CCc2cc(O)c(NS(=O)(=O)c3cc(F)cc(F)c3)c(O)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVHVLRLXSVDPDX-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)c(NC(=O)C2CCCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZESRABSEVJWGB-UHFFFAOYSA-N", "SMILES:O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3C2c2ccc(O)c(O)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCAJWMNZZLNKD-UHFFFAOYSA-N", "SMILES:COc1cc(C2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRJNFFXALBFQFE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5420823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTKRCONBBFYODN-UHFFFAOYSA-N", "SMILES:O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3C2c2cccc(O)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZEXVRMMAYVQSX-UHFFFAOYSA-N", "SMILES:COc1cc(C2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPIOFONJRYTCQB-MDZDMXLPSA-N", "SMILES:CCOC(=O)C(=O)CC(=O)/C=C/c1cccn1Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPIJAIDMSTEQB-UHFFFAOYSA-N", "SMILES:Cc1oncc1C(=O)Nc1ccc2cnc(-c3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMILJKCOTDEFQC-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2C(=O)C3(NC(=O)c4cc(Br)cc(Br)c4N3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBXAMNOSHMZIL-UHFFFAOYSA-N", "SMILES:O=C(NNc1ccccc1)c1n[nH]c2cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQNQOXHKPQOQM-UHFFFAOYSA-N", "SMILES:Brc1cc(NCc2cccc3nonc23)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOARGDLDEPZGIS-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2cc(NCc3ccc(Cl)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWPWUWJFQUIDK-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2cc(NCc3ccc([N+](=O)[O-])cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQIWUDHHXUPSS-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc3c(C)nn(C)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNMMTUBJUSDQF-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2cc(NCc3ccc(F)c(F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWTRMADKAZUUDN-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc3c(C)nn(C)c3c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXJZSMYOLTCTR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc3c(C)nn(C)c3c2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYJMEIRIURRPU-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2cc(NCc3ccc(Br)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZLWRZGMIIAOCA-QFIPXVFZSA-N", "SMILES:N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccc(F)cc4)cc3)c2[C@H]1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXCKXGVMXWMMO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N(c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)c(Cl)cc1Cl)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNIKXGBWCWGCD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N(c1cc(C(=O)Nc2cc(F)c(Cl)c(F)c2)c(Cl)cc1Cl)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBRQICMKEJFZDT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMMCRXYIIKAOB-UHFFFAOYSA-N", "SMILES:CCn1cc(-n2c(C3CC3)c(Sc3cccc(C(=O)O)c3F)c3ccc(Cl)c(F)c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKMXCMJVQFBLM-UHFFFAOYSA-N", "SMILES:CCCn1cc(-n2c(C)c(Sc3cccc(C(=O)O)c3F)c3ccc(Cl)c(F)c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUFEIRKEQDEMY-UHFFFAOYSA-M", "SMILES:Cc1c(Sc2cccc(C(=O)[O-])c2F)c2ccc(Cl)c(F)c2n1C(=O)N1CC2(CC2)c2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLLVSFJKIDZFD-UHFFFAOYSA-N", "SMILES:CCc1nc2c(C)cc(-c3ccc(C(=O)N4CCN(CCO)CC4)cc3)cn2c1NC(=O)OCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIDZKWAMNNZUFN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3ccc(OCCCn4ccnc4[N+](=O)[O-])c(F)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNJOMIGHJHBZMP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3ccc(OCCOCCn4ccnc4[N+](=O)[O-])c(F)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWKEZDJAJWEEL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)ccc1OCCCCn1ccnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZDGGWBJXVSLZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)ccc1OCCOCCn1ccnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJAVOKRWOZINH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3ccc(OCCCCn4ccnc4[N+](=O)[O-])cc3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYNKDXTDXAKEL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3ccc(OCCOCCn4ccnc4[N+](=O)[O-])cc3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFSVVLXFQCZTLF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3ccc(OCCCCn4cnc([N+](=O)[O-])c4)c(F)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MILJJZIZPZIWLT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3cccc(OCCCCn4cnc([N+](=O)[O-])c4)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHVNLLGIMZKVOV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3cccc(OCCCCn4ccnc4[N+](=O)[O-])c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRFNHOGRSQOFK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3cccc(OCCOCCn4ccnc4[N+](=O)[O-])c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCTUFYNEPNKJJD-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1OCCOCCn1ccnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRHJQHMWPVTYCU-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1OCCOCCn1ccnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLQYECYDXUUIF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3ccc(Cl)c(OCCOCCn4ccnc4[N+](=O)[O-])c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMRIHKCMUYKPL-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1OCCOCCn1ccnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJMHQSKEVFGTBZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCOCCn2ccnc2[N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRXRLXLUBWTKV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3cc(OCCOCCn4ccnc4[N+](=O)[O-])ccc3F)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGKXIUOFSHGRA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3cccc(COCCOCCn4ccnc4[N+](=O)[O-])c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHAMRFZTMKPXPC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3cccc(C(=O)NCCOCCn4ccnc4[N+](=O)[O-])c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWRZWTYYHCTHDB-FQEVSTJZSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2cc3cccc(-c4ccccc4)c3[nH]2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYKGMYYXYQWES-FQEVSTJZSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2cc3cccc(-c4ccccc4F)c3[nH]2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZHIXAZQPKKJK-NRFANRHFSA-N", "SMILES:Cc1ccccc1-c1cccc2cc(C(=O)N[C@H]3COc4ccccc4N(C)C3=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAKVWLUIBUPEFN-IBGZPJMESA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2cc3cccc(-c4cccc(F)c4F)c3[nH]2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISWVAYJENPPXEM-FQEVSTJZSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2cc3cccc(-c4ccc(F)cc4F)c3[nH]2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSXGLQZYNEALE-FQEVSTJZSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2cc3cccc(-c4cc(F)ccc4F)c3[nH]2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APBKDCFKCDZOMI-UHFFFAOYSA-N", "SMILES:C=CN(c1cccc2ccccc12)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CACABZAHZLAVEB-FAIXQHPJSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)CC3)nc2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVVVNOCZSAQRBS-QNGWXLTQSA-N", "SMILES:CCn1ncc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(C(=O)C[C@@H]5N=C(c6ccc(Cl)cc6)c6c(sc(C)c6C)-n6c(C)nnc65)CC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEGAYEFHHFMZPU-QNGWXLTQSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CNC(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRUXOPPPIFKNBN-QNGWXLTQSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(NC(=O)CNC(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCRKBWFRVXIPHB-LHEWISCISA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(NC(=O)CCNC(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXYSQRKBXFXRH-KDXMTYKHSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(NC(=O)CCCNC(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXFUXQOVXAJEFP-FAIXQHPJSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(NC(=O)CCCCNC(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHFMWTOYHNVDKC-BHVANESWSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(NCC3CCN(C(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)CC3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUSJVLSOXXINL-BHVANESWSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(N3CCC(CNC(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)CC3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYJHMLGWAVALQP-QNGWXLTQSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(N3CCC4(CCN(C(=O)C[C@@H]5N=C(c6ccc(Cl)cc6)c6c(sc(C)c6C)-n6c(C)nnc65)C4)CC3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUSDWYSEPRKCRG-XIFFEERXSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(NCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZOWNWCFKLRZDP-UMSFTDKQSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(NCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFECTNKYOSHSKZ-DHUJRADRSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(NCCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUHCSWDXCYGIA-BHVANESWSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(NCCCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONBSHRSJOPSEGS-INIZCTEOSA-N", "SMILES:CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCJSWXIBXCRFJH-NSHDSACASA-N", "SMILES:CS(=O)(=O)c1sc(Oc2cc(F)cc(F)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGCJEVWDLATQGD-LBPRGKRZSA-N", "SMILES:CS(=O)(=O)c1sc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHQHXQAFRAVKSP-LBPRGKRZSA-N", "SMILES:CS(=O)(=O)c1sc(Oc2cc(Cl)cc(C#N)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQZGFIXHMUCKK-LBPRGKRZSA-N", "SMILES:CS(=O)(=O)c1sc(-c2ccc(F)cc2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSLNBWGCFHYQTJ-ZDUSSCGKSA-N", "SMILES:CS(=O)(=O)c1sc(-c2ccc(F)cc2)c2c1[C@H](O)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUJWSWZIXSWLTL-LBPRGKRZSA-N", "SMILES:CS(=O)(=O)c1sc(-c2ccc(F)c(F)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWKQVEJQEQRFGU-ZDUSSCGKSA-N", "SMILES:CS(=O)(=O)c1sc(-c2ccc(F)c(F)c2)c2c1[C@H](O)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHUYKGCGHNLEP-LBPRGKRZSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(F)cc(F)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSIWQCYLGHKCQZ-ZDUSSCGKSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(F)cc(F)c2)c2c1[C@H](O)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBRHUQRAWRYAI-ZDUSSCGKSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cccc(C#N)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVHGRMYDUEOHH-ZDUSSCGKSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLDMUNIMNCFCN-AWEZNQCLSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNKSLDGFCIXQD-ZDUSSCGKSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(Cl)cc(C#N)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTFUEKZQZLJCC-AWEZNQCLSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(Cl)cc(C#N)c2)c2c1[C@H](O)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLQXGXPLKBHEAI-LBPRGKRZSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(F)cc(Cl)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBKUARNZLBUCAG-ZYHUDNBSSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(F)cc(Cl)c2)c2c1[C@H](O)[C@H](F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBKUARNZLBUCAG-CMPLNLGQSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(F)cc(Cl)c2)c2c1[C@H](O)[C@@H](F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHCZTHBPKJWBK-ZDUSSCGKSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(F)cc(Cl)c2)c2c1[C@H](O)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRLYNNVBDMZCH-NSHDSACASA-N", "SMILES:CS(=O)(=O)c1sc(OC2CCCCC2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATTZSMAUQXJPJ-QMMMGPOBSA-N", "SMILES:CC(C)Oc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYWPLOSHVXQSQE-VIFPVBQESA-N", "SMILES:CS(=O)(=O)c1sc(OC2CCC2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDPAHYVFOKZAX-QMMMGPOBSA-N", "SMILES:CCCOc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFDISGZIVSWNJB-VIFPVBQESA-N", "SMILES:CC(C)COc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASJFHYAGCKPAEX-VIFPVBQESA-N", "SMILES:CS(=O)(=O)c1sc(OCC2CC2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLJLJUVEPGWRE-JTQLQIEISA-N", "SMILES:CS(=O)(=O)c1sc(OCC2CCC2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAGNYBDRNTWJPH-QRIDDKLISA-N", "SMILES:CC(Oc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKGEFCMXVFQTL-VIFPVBQESA-N", "SMILES:CC(C)(C)COc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQXOCMVLSZMJFC-MHPPCMCBSA-N", "SMILES:CCC(C)COc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWDMGQIZQBTPU-ZETCQYMHSA-N", "SMILES:CS(=O)(=O)c1sc(OCC(F)F)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMVPQMOFWNTIW-LURJTMIESA-N", "SMILES:CS(=O)(=O)c1sc(OCC(F)(F)F)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDGCNLVEOCGGG-ZETCQYMHSA-N", "SMILES:CC(F)(F)COc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPQONHZWSZTHGY-VIFPVBQESA-N", "SMILES:CS(=O)(=O)c1sc(OCC2CC(F)(F)C2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBFGYLBIDVJEAK-ZETCQYMHSA-N", "SMILES:CS(=O)(=O)c1sc(OCCC(F)(F)F)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBDBAEQKQSFFSR-DWHDZERNSA-N", "SMILES:CC(COc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBDBAEQKQSFFSR-XRGYYRRGSA-N", "SMILES:C[C@H](COc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBDBAEQKQSFFSR-XNCJUZBTSA-N", "SMILES:C[C@@H](COc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYYGJPCOVXTIX-QMMMGPOBSA-N", "SMILES:CC(F)(F)CCOc1sc(S(C)(=O)=O)c2c1CC(F)(F)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEDLQBHJAPYUCY-QMMMGPOBSA-N", "SMILES:CS(=O)(=O)c1sc(OCCCC(F)(F)F)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHUYKGCGHNLEP-GFCCVEGCSA-N", "SMILES:CS(=O)(=O)c1sc(-c2cc(F)cc(F)c2)c2c1[C@@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJRHBILPYHABO-NSHDSACASA-N", "SMILES:CS(=O)(=O)c1sc(Oc2cccc(F)c2)c2c1[C@H](O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KODZEKGCUPWVLU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDNPMSBSLJQQEW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccn1)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBJVDGBFZOMMA-UHFFFAOYSA-N", "SMILES:CN(C(=O)NC1CCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCOBPYBPQYJANV-UHFFFAOYSA-N", "SMILES:CN(C(=O)NC1CCCC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZMKDHPUKNUFPK-UHFFFAOYSA-N", "SMILES:CN(C(=O)Nc1ccccc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIWAGETVVPAQMZ-UHFFFAOYSA-N", "SMILES:CN(C(=O)Nc1ccccn1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJIDCXKTPXBYRD-UHFFFAOYSA-N", "SMILES:CN(C(=O)N(C)C1CCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNZMAWXNJFBRG-UHFFFAOYSA-N", "SMILES:CN(C(=O)N(C)C1CCCC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLHSIGLTKWHILL-UHFFFAOYSA-N", "SMILES:Oc1cccc2c1Cc1c-2nc2c(c1-c1ccccc1)Cc1c(O)cccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HESDYNWWLJMQBK-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1c2c(nc3c1Cc1c(O)cccc1-3)-c1cccc(O)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYEXMLIEFZDJKG-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)Cc1c-2nc2c(c1-c1ccccc1O)Cc1cc(O)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTOMHCZSHPAMST-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)-c1nc3c(c(-c4ccccc4O)c1C2)Cc1ccc(O)cc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSNAMWDHFMVTOP-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2c3c(nc4c2Cc2cc(O)ccc2-4)-c2ccc(O)cc2C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKJPFUXOUDHMV-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2c3c(nc4c2Cc2cc(O)ccc2-4)-c2ccc(O)cc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWHQYBCKJUWBRP-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2c3c(nc4c2Cc2ccc(O)cc2-4)-c2cc(O)ccc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVYVLLIQHAYAKR-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2c3c(nc4c2Cc2cccc(O)c2-4)-c2c(O)cccc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWWNTKNAXIBED-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2c3c(nc4c2Cc2c(F)cccc2-4)-c2cccc(F)c2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJKGLCRRBJJDU-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2c3c(nc4c2Cc2ccc(C(F)(F)F)cc2-4)-c2cc(C(F)(F)F)ccc2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZMBLGXBDFPMSU-UHFFFAOYSA-N", "SMILES:Oc1cccc2c1Cc1c-2nc2c(c1-c1ccco1)Cc1c(O)cccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSGDXLYDANNSK-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)-c1nc3c(c(-c4cccs4)c1C2)Cc1ccc(O)cc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBDUJZXKUNVAX-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)Cc1c-2nc2c(c1-c1cccc(F)c1)Cc1cc(O)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLKBWJOFICTDI-UHFFFAOYSA-N", "SMILES:Oc1cccc2c1-c1nc3c(c(-c4ccccc4OC(F)(F)F)c1C2)Cc1cccc(O)c1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBOTQKNRLGKOJ-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)Cc1c-2nc2c(c1-c1cccc(Cl)c1)Cc1cc(O)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNAWOCNJDJPOHK-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2cc(C)cc(C)c2)nn2c(C(=O)NC3CC3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITUGUNLCGLOII-GXTWGEPZSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFGWVYWABNYHRI-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(=O)NC3CC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HANGACPWNQHVPZ-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEHQNGMBCCZMT-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)NC3CC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRMLORNGXXFFSL-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)NC3CC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJRAFFUQOURPS-DZGCQCFKSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJRAFFUQOURPS-HIFRSBDPSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACFRVQSXPAUJZ-HOTGVXAUSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3C[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACFRVQSXPAUJZ-HZPDHXFCSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3C[C@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPODORXXFPCRS-HNNXBMFYSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPODORXXFPCRS-OAHLLOKOSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3CCC3(F)F)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNBUGHQPXRHTD-NVXWUHKLSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNBUGHQPXRHTD-RDJZCZTQSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNBUGHQPXRHTD-VXUAOQQCSA-N", "SMILES:[2H]C([2H])([2H])O[C@@H]1CC[C@H]1NC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWIBSYLXLSDVCS-HOCLYGCPSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWIBSYLXLSDVCS-GDBMZVCRSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWIBSYLXLSDVCS-ZBFHGGJFSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWIBSYLXLSDVCS-GOEBONIOSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYXHKXJLXNTKFI-MZNJEOGPSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@]3(C)OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDJNGRXZGKAKJ-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)NC3CC4(COC4)C3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMBLQMVCFYBFU-HUUCEWRRSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](OC)C3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMBLQMVCFYBFU-GJZGRUSLSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3CC[C@H](OC)C3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEUGFTWWQAEUSO-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)NCC3(CO)CC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVISIDUCQNAVTF-HOCLYGCPSA-N", "SMILES:CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWINBHTTZLVXGT-RDJZCZTQSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBIHNURLSLKECO-NVXWUHKLSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJDVLSQXRMOPJ-WMZOPIPTSA-N", "SMILES:CNc1cc(Nc2cccn(-c3cccnc3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTRPCAQKULFJCG-LPHOPBHVSA-N", "SMILES:CNc1cc(Nc2cccn(-c3cccnc3C)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFDQVQBRZHAIKE-HKUYNNGSSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ccc(C)nc3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZNBYQLHUDAQNR-WMZOPIPTSA-N", "SMILES:CNc1cc(Nc2cccn(-c3cncc(F)c3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVRBHORVICRSW-ZFWWWQNUSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ncco3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBUSPMQECXZAQ-HOCLYGCPSA-N", "SMILES:CNc1cc(Nc2cccn(-c3nc(C)co3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKWRWROHRKULGZ-GDBMZVCRSA-N", "SMILES:CNc1cc(Nc2cccn(-c3cnc(C)o3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOMVODDBRHPISP-GDBMZVCRSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ocnc3C)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRAVSOXFUNLDOW-WMZOPIPTSA-N", "SMILES:CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMJIVRAXNWOMV-ZVZYQTTQSA-N", "SMILES:CNc1cc(Nc2cccn([C@H]3CCCOC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMJIVRAXNWOMV-HFTRVMKXSA-N", "SMILES:CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWTRNTPHYFRFAB-YNVMFWSZSA-N", "SMILES:CNc1cc(Nc2cccn([C@H]3CC[C@@H](OC)CC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQDCXJUNZPNBHD-ICSRJNTNSA-N", "SMILES:CNc1cc(Nc2cccn(C3CCN(CCF)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRUNZGYOLBZSN-DNUAJFIVSA-N", "SMILES:CNc1cc(Nc2cccn([C@H]3C[C@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRUNZGYOLBZSN-KPEUIFRASA-N", "SMILES:CNc1cc(Nc2cccn([C@H]3C[C@@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZSHYNQYPFCTD-HOCLYGCPSA-N", "SMILES:CNc1cc(Nc2cccn(C3COC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLYUPJPRMKOANU-UHFFFAOYSA-N", "SMILES:Cc1ccn2ncc(C(=O)Nc3cc(Br)ccc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYIKXGPHUHNDT-UHFFFAOYSA-N", "SMILES:CNc1ncnc2cc(-c3ccc(F)cc3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCYLRMXVYXZRX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(=O)[nH]c(C4CC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNDAYXSCYXLLNB-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NC4CCCC4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZNMKLHIOHOBN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NC4CCC4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJILYFXNANMKC-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXMHPPNXPZZKY-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NC(C)(C)C)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZJHYNMIHBWFCD-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NC4CCCCC4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCATQTXBPQRSD-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)Nc1ccc(Oc2ncnc3cc(OCCCN4CCCC4)c(OC)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXWPGZNWYZLVFJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NCc4ccncc4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUBJRBJFRJHZIG-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccncc4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRLBUJXKJBRFA-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NCc4ccccc4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTVZCOLBBFDMI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKKLZQAIJJQHIF-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWJIINNTXDWNN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFXAJNJXGILIN-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(OCCCN5CCCC5)c(OC)cc34)cc2Cl)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELFTXSEBVUJAK-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NCc4ccc(F)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMMQJLYMIJYIAK-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXZHTIPIXJKTN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPVAPOBXNPDLHJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C)c(F)c4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFHLKLQIDSNDHN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccccc4F)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTHSJRSUDUUQFI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(Br)cc4F)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODHBSJSHXUGIE-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDCGYXTFRTWMP-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)NCc4ccc(C#N)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQGCMAIBZGXOAJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEMHHXYZAJVSME-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(OC(F)(F)F)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOXNNGFGYDFPDL-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cccc(OC(F)(F)F)c4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEBWIBLSBZGQSC-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cnn(C(C)C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFFOQWCQWWHTIS-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc5c(ccn5C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZZIULFUXGVMGF-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc5occc5c4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBOSMWVYTUUIX-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJKUNDNLWGYKD-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cccc5c4oc4ccccc45)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVCNXAORTVNADE-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccnn4C)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPTVWYCNJGYSDW-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cnn(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFHIMTLASCGOTR-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccnn4C4CCCC4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKJHBJVKCAXFA-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cnn(C5CCCC5)c4)c(Cl)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMGPVTVMCERRZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cnn(C(C)C)c4)c(Cl)c3)ncnc2cc1OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLQLKPQLQTCDT-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)c(F)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDOLJKPWNOURO-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccccc4)c(F)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRDEKYBJXNLRC-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cnn(C(C)C)c4)c(F)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBIEKJAAQYGMI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c(F)c3)ncnc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQOETQMUXTTJU-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)Nc4cnn(C(C)C)c4)c(F)c3)ncnc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPSYKWTEUQRRD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C([Se]c1ccccc1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DETDLZIKYSAZOW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C([Se]c1ccccc1)([Se]c1ccccc1)C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYEABNPENINIAC-ZESOOZHZSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2371250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHANLXYXMOODOB-XKNYDFJKSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMQRRKVHYANVTD-GMOBBJLQSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBBXEKOFQYNNF-HSQYWUDLSA-N", "SMILES:C[C@H](NC(=O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWVMTVKLLNBYAI-GUBZILKMSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)COP(=O)(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUSASZIGTXAPDG-FXQIFTODSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWHJXVNENHXVHC-BJDJZHNGSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSWYPDYTGAMQY-JYJNAYRXSA-N", "SMILES:N=C(NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)COP(=O)(O)O)C(=O)O)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URLHSMJAUFVTGZ-WSEGHWGGSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)Nc1ccc([N+](=O)[O-])cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL298712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKDMKWNDBAVNQZ-WJNSRDFLSA-N", "SMILES:C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIHUBYDDBLUDDL-KDRHPXAASA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](/C=C1\\CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMUIGVHZDDMSAL-IRUYNBRISA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1C(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXEQSWJHDVAJHO-RPWSGDRNSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHCUWYOWKUVEU-HHXHRXSXSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cc2ccccc2s1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBHFKXUIQPWNG-YZJKAISGSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBPVSHULCYBVMF-CWXBSWOFSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cc2ccccc2s1)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDLERIAAILOMZ-QYIFZWFASA-N", "SMILES:C[C@H](OP(=O)(O)O)[C@@H](NC(=O)[C@@H](C)N)C(=O)N1CCCC[C@@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUOLCYCLNKZCZ-CWXBSWOFSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIJILHZSLVYEGN-CWXBSWOFSA-N", "SMILES:CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGZUWBVNWAAYQE-VAXGSYRVSA-N", "SMILES:CC[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDLERIAAILOMZ-MQRPASIOSA-N", "SMILES:C[C@H](N)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@@H](C)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXZCIKSLVJXQJ-UDLURZPGSA-N", "SMILES:C[C@H](OP(=O)(O)O)[C@H]1NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBFKWNOEBPZAQH-AQCRAIGHSA-N", "SMILES:C=C(N)NCCC[C@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]([C@H](C)OP(=O)(O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYEABNPENINIAC-GYWCDFCBSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQFWAWXGBQPBIA-UHFFFAOYSA-N", "SMILES:Nc1nc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NROJTWPWAIGIMH-QVOQUHCCSA-N", "SMILES:C[C@H](OP(=O)(O)O)[C@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTMXMUWIUTSTO-FUBVYMCLSA-N", "SMILES:C[C@@H]1NC(=O)c2cc3cc(c2)C(=O)NC[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc4ccccc4c2)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]([C@H](C)OP(=O)(O)O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)CNC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WESXAQBEZGPZAS-FUBVYMCLSA-N", "SMILES:C[C@@H]1NC(=O)c2cc3cc(c2)C(=O)NC[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc4ccccc4c2)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]([C@H](C)O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)CNC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKBQWMNDRPERJZ-MPKXVKKWSA-N", "SMILES:NC(=O)CNC(=O)C1=C[C@@H](Oc2cc(F)ccc2Br)[C@H](O)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBTYJQDOSPXDV-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)C1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSQMOPQBPDCDPB-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1C(=O)C1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQXDOWJJIFMGJR-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1O)C1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFGSKZCDVFFSO-UHFFFAOYSA-N", "SMILES:O=C(c1cc(F)ccc1O)C1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSSZWJYFXKTLT-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1C(=O)C1(C)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSSZWJYFXKTLT-GOSISDBHSA-N", "SMILES:COc1ccc(F)cc1C(=O)[C@]1(C)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSSZWJYFXKTLT-SFHVURJKSA-N", "SMILES:COc1ccc(F)cc1C(=O)[C@@]1(C)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKUIUHWSWCDEI-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1ccc(O)c(C(=O)C2CCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCTWHRMXGGCGT-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1cc(C(=O)C2CCc3ccccc32)c(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHJXIVLCWQDTNS-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1cc(N)c(O)c(C(=O)C2CCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZAYAZHOWGUPX-XETMBDMTSA-N", "SMILES:COc1ccc(F)cc1-c1cc(NC(=O)C[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)c(O)c(C(=O)C2CCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVLJMMLEMXWTC-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2cc(F)ccc2O)ccc1O)C1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXTZXIGDFZXLEL-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2cc(F)cc([N+](=O)[O-])c2O)ccc1O)C1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQFOKRWYXIIBX-ROUUACIJSA-N", "SMILES:CC(=O)N[C@H](CN1CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWWOKYIKNEEHJ-PTGBLXJZSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)/N=C2\\C=C(SCC(=O)O)C(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMDPNNNOSDHAQ-ZJZGAYNASA-N", "SMILES:NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CCl)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHSIHNIFPFOBHF-QORCZRPOSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CCl)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQRHCCBIRFOSZ-QORCZRPOSA-N", "SMILES:NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CCl)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKZSFZTUPBAHNA-MLCQCVOFSA-N", "SMILES:NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CCl)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHVAHHYKGXBMY-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN(C(=O)CCl)C1CCS(=O)(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSTBUOHORFUCIB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGRWIMAJDQCPG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSNVDZPMLMMLQY-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccncc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3926904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCGHGIOYKKQFX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEUKQZXLBISYPI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHFKCQCHIJKCHS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cccnc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGZZUBRFXLUFCP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccncc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZAXBGUMAMQQB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHVSPDZQYHHJW-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLDTNVVTSTYSU-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccc(F)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCANTBARIIFSDG-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTGJWKQGNJDXAU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXQRIBGGKFDHAE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccc(CF)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABUAQXZQVYHURY-UHFFFAOYSA-N", "SMILES:Cc1ncc(CCc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXCSXQHDLNNHFV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cnc(F)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRAOERNXSQCOIL-UHFFFAOYSA-N", "SMILES:COc1ncc(CCc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIFHSDGULUYSMW-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(CCc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGHXESFWLZNOPI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cnc(CF)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCDQLPIMAICCU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDZAFDEBUTVFD-UHFFFAOYSA-N", "SMILES:Cc1ncc(CCc2ccc3c(-c4ccc(CF)cc4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHPPPIJCQKFONR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3955188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFISEEHEDYLAHH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHMZHADXUXTFF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIIHCVWWIPPWMM-UHFFFAOYSA-N", "SMILES:COc1cnc(N)c(-c2cc3c(c(OC)c2)C(=O)N(CC(F)(F)F)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXSXJBMLAFHRII-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c(N)ncc3ccccc23)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBJYKHBGCSBEX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3cc4c(c(OC)c3)C(=O)N(CC(F)(F)F)CC4)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZPXEZUVJUGIDX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc3c(Cl)cccc23)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLKWRIPLUIFDRA-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nccc(-c2cc3c(c(OC)c2)C(=O)N(CC(F)(F)F)CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGNUDXNCSSICBB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(Nc3ccccn3)s2)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMPZRAJECZRHV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3ccccn23)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBQKEWXFKZOWAZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(Nc3cccc(OCCN(C)C)n3)s2)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBLISIIXOMPZFZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(Nc3cc(CN4CCOCC4=O)ccn3)s2)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRPKNVNQNONLF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(Nc3cc(CN4CCOCC4)ccn3)s2)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVPYFIWJCSSSQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASOHFCUIQARJT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYDTWNVVTPPDDO-UHFFFAOYSA-N", "SMILES:CN1CC(Oc2cnc(C#N)cc2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOZORSAAPNHXFP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(Nc3cc(N4CCOCC4)nc(C)n3)s2)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCLYSPWUHSZWOR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(Nc3cc(N4CCN(C)CC4)nc(C)n3)s2)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCVMDQKOWCQAG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(Nc3cc(N4CCN(CCO)CC4)nc(C)n3)s2)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQANXDMJOUTFBB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(Nc3cc(N4CCN(C)CC4)nc(C)n3)s2)cc2c1C(=O)N(CC#N)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSGDOSCYEQRDBE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(Nc3nc(C)nc(N4CCN(C)CC4)c3F)s2)cc2c1C(=O)N(CC(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWCJHJCRWBXTSE-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(-c3cnc4cc(OCCN5CCOCC5)ccn34)cc2CCN1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUHWDQLEICJGTP-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)[nH]c2c1C(=O)C(NCCNc1c3c(nc4ccccc14)CCCC3)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUEZWIALQTZWIP-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)[nH]c2c1C(=O)C(NCCCCNc1c3c(nc4ccccc14)CCCC3)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJHYFAIQOFIJJ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)[nH]c2c1C(=O)C(NCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSAILKBVUYCXNV-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)[nH]c2c1C(=O)C(NCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKOUESSFMCKDBI-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)[nH]c2c1C(=O)C(NCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPBDIVKIHWMXBI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKXOYCUBUCMMV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGXBLGVSQHNXGQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQCIJCWJTRSUKT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBAGTFFABOPVBT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(F)cc2)c(F)c1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGGWNHJDIVNLG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc(NC(=O)c3ccccc3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KESOQBPYYVJUGA-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc(NC(=O)c3ccccc3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLUKJMVQCLSBR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Oc2ccc(NC(=O)c3ccccc3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYIPTJDDUMEOCK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKGNGAEKSUONP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRAXEDLYWXRBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOSIKTGNOYFKJJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMMOSOIVHUUGGS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUARDWWHXOZHE-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXHRNCFDIIEYII-UHFFFAOYSA-N", "SMILES:CCCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGDBDUZWSWEEM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQWOOGKLAXBDQA-UHFFFAOYSA-N", "SMILES:COc1cccc(O)c1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRRBYGULULUKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNGYVRPMBXGNO-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEKQABAMRXWPSF-UHFFFAOYSA-N", "SMILES:CCCNc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDTZIIUZKRDBP-UHFFFAOYSA-N", "SMILES:CCCCCCNc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCKKJYAHNGXCGB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1ccc(F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHIORHMJZQCAJP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQCBOPWQUHBPBB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(F)cc(F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1631675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBUNWTUXZOCIGZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(Br)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470029", "category": ["biolink:ChemicalEntity"], "name": "OLEANONIC ACID", "xref": ["InChIKey:FMIMFCRXYXVFTA-FUAOEXFOSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"name": "Metalloproteinase inhibitor 3", "xref": ["CHEMBL.TARGET:CHEMBL5465289"], "id": "UniProtKB:P35625", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPQLQQGQYADEZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc2)cc1)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1207514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVIAMRWOLIUAE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2F)c1)Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1206126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMONOAYAUIIKMS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4300424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJCHJYKCSKQLL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXAIVMYRMNONEG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISLSABSHWDDTJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(-c3ccccc3O)nnc2N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOMBGXFENCGRHG-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C(C)C)CC5)ncc3c(N)c2F)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGXVBNEOBMIIF-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cccc(C#N)c5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCKVNMTMIJGNS-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5ccccc5C(N)=O)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCSNMRJKZWHGX-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cccc(OC(F)(F)F)c5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGWVOQVSHXVCHL-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cccc(CN)c5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPONSUOQRIYOIZ-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cccc(CO)c5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWABNUZMRVBJPZ-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5ccccc5CO)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DANGUZMANKPIJP-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cnc6c(c5)CNCC6)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USYLAYUEDPUZNE-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1ccc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZNMMWQFWMPZIR-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1ccc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHOTTGHACLADM-UHFFFAOYSA-N", "SMILES:Cc1cnccc1-c1ccc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQESKJMVYVTWDP-UHFFFAOYSA-N", "SMILES:COc1ccnc(F)c1-c1ccc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEXTHWXUSUIAU-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3c2)nnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRXZQJKNIBVPKX-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cnc6n5CCOC6)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGHXYQRJBUGENS-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cnc[nH]5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYBCPJMZJNVTJC-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cnc(C(C)(C)O)s5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCYOHCOICDUFL-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cnn(C)c5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRSHVDTUQJJALN-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cn[nH]c5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECSCOYHPLMGGG-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBONBOPXHPXQL-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTNZSDBOFPHHKH-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cnn(CCO)c5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHSXHIFRRSHTK-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3c2)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVUSWKMZOJUDQZ-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1ccc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDCEZITPGICLL-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cnn(C)c5C5CC5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILZSKGVWPTZLZ-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cnn6c5CCCC6)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXIRGMZCSGMYLT-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4ccc(-c5cnn(C)c5-c5ccccc5)cc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUVGYKHBHXIMIM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc5c(c4)C(C)(C)OC5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUBBHXJAFNAZNM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFPENIHVVSKEP-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4cc5n(n4)CC(=O)N(C(C)C)CC5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGBMVXIMELSEES-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc5c(c4)COC5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHQWPZUWNQOLMB-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc5c(c4)COCC5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDZVLRXZMJDHH-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc5c(c4)CCOC5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTRRPZQEDFWTB-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4cnc5c(c4)C(C)(C)OC5)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUZOOLSSUKXNN-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc5c(c4)C(C)(C)OC5=O)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFAZGANZUKVRQN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2ncc3ccc(-c4cnc5c(c4C)NCCO5)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGUPMGDGLCAJG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncc3ccc(-c4cnc5c(c4C)NCCO5)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXNZHHSQNDBDPV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncc3ccc(-c4cnc5c(c4C)NCCO5)cc3n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZGDZFNBNZFED-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2ncc3ccc(-c4cnc5c(c4C)NCCO5)cc3n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTEYXZDVDDRCNR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc3ccc(-c4cnc5c(c4C)NCCO5)cc3n2)ccc1NC(=O)CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNCDWMAESXCRDI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc3ccc(-c4cnc5c(c4C)NCCO5)cc3n2)ccc1NC(=O)CN1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWZNVQJSYGNEJD-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(N5CCOC5=O)cc4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLPWLNTZCASQZ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(N5CCNC5=O)cc4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJZNFIQDMEGAV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc3ccc(-c4cnc5c(c4C)NCCO5)cc3n2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCCPGGOXAZPPJZ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRNFFMYMGRLJM-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(CS(C)(=O)=O)nc4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVRLKISCKXOFS-YTTGMZPUSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc([S@@](C)(=N)=O)cc4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWESZRXVCGDRQN-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)nc3c2)cnc2c1NCCS2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUCWUANPHKMES-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)nc3c2)cnc2c1NCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGCWQGMGUQVECC-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)nc3c2)cnc2c1NCCC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXYPVGAABXYCJ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)nc3c2)cnc2c1NCCC2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCCKGXYLMTZNV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1ccc(Nc2ncc3ccc(-c4cnc5c(c4C#N)NCCO5)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRZCUUSHIMNPHE-UHFFFAOYSA-N", "SMILES:CN(C)c1c(-c2ccc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)nc3c2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNWDOSJLNDZOG-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)nc3c2)cnc2c1NCCO2"]}
{"name": "Mitogen-activated protein kinase kinase kinase kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL5465296"], "id": "UniProtKB:P70218", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLWBDAFUGUHLNZ-RGPOVRQVSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O"]}
{"name": "Microtubule-associated protein tau", "xref": ["CHEMBL.TARGET:CHEMBL4296281"], "id": "UniProtKB:P10637", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHENYAGMNHPZIE-GMCUNXPPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(NC(=O)C45CC6CC(CC(C6)C4)C5)(C3)C1)C2)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"name": "TAR DNA-binding protein 43", "xref": ["CHEMBL.TARGET:CHEMBL5465339"], "id": "UniProtKB:Q921F2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKKGXBZADFMPP-MUUNZHRXSA-N", "SMILES:COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(=O)NCCCCCCNC(=O)[C@@H](CCCN/C(=N\\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEKPMZVFKCCRC-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCN(CCCCC(=O)NCC3CC4C=CC3C4)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHDKXJDEEHHMLU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC(=O)NCC2CC3C=CC2C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKJOBYHJUXVBC-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CC(=O)NCC3CC4C=CC3C4)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMBGXBCCCONIW-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CC(=O)NCC4CC5C=CC4C5)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJWHLDKQULMHJ-PZMWFESPSA-N", "SMILES:C=CC(=O)Nc1cc(-c2nn(C3CCN(CCNC(=O)[C@H](C)CCC45CC6CC(CC(C6)C4)C5)CC3)c3ncnc(N)c23)ccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRXHQOTZDGRRM-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2[nH]nc(-c3ccc(NS(=O)(=O)C(F)F)cc3)c2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEBQCGUQFSYPIU-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)Nc1ccc(-c2n[nH]c(Nc3ccccc3)c2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXJZEIXVQAIKV-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CCN(c4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDFZHJPWNNJMY-UHFFFAOYSA-N", "SMILES:c1ccc(CCN2CCC3(CCN(c4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYWXPKNCBAMFX-UHFFFAOYSA-N", "SMILES:c1ccc(CCCN2CCC3(CCN(c4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXWNSDBRUCWKS-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CCN(Cc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJBLZSQDYSZFPZ-UHFFFAOYSA-N", "SMILES:c1ccc(CCN2CCC3(CCN(Cc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMLRQATNISFCL-UHFFFAOYSA-N", "SMILES:c1ccc(CCCN2CCC3(CCN(Cc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMPPIHCRZLUYDX-UHFFFAOYSA-N", "SMILES:c1ccc(CCN2CCC3(CCN(CCc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFFMUWQPJRVGN-UHFFFAOYSA-N", "SMILES:c1ccc(CCCN2CCC3(CCN(CCc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPBWUBMUXBDNK-UHFFFAOYSA-N", "SMILES:c1ccc(CCCN2CCC3(CCN(CCCc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL828", "category": ["biolink:ChemicalEntity"], "name": "PHENOTHIAZINE", "xref": ["InChIKey:WJFKNYWRSNBZNX-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)Nc1ccccc1S2"], "synonym": ["Phenothiazine", "Fenotiazina", "10h-phenothiazine", "Contaverm", "Danikoropa", "Fenoverm", "ENT 38", "ENT-38", "NSC-2037"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5406931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOCUDHYXPMZEFS-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCC3(CCN(CCc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUNVZZVAQDZZEN-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCC3(CCN(CCc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSZGJYLOOVLHTC-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N2CCC3(CCN(CCc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KURULBHGVNUVDX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(CCc4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGAUFHDBTUXQH-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC2(CCN(CCc3ccccc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSWQNPIRUUNDH-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)N2CCC3(CCN(CCc4ccccc4)C3)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGRRDWDRPOSFY-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC2(CCN(CCc3ccccc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMMIROYTOHLSLE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)N1CCC2(CCN(CCc3ccccc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUPHSNGASWSZQV-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN2CCC3(CCN(CCc4ccccc4)C3)C2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSFCOZNSROOKA-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCN2CCC3(CCN(CCc4ccccc4)C3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRMOGQHSBUGKH-UHFFFAOYSA-N", "SMILES:COC1Cc2ccccc2C2(CCC(N(C)CC3CCCCC3)CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHXWPHILAGKIT-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC3(CC2)OCC(c2ccccc2)CO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLZLOKCJHBUHD-IOJOKMQUSA-N", "SMILES:O=C1Nc2cc(Br)ccc2/C1=C1\\Nc2ccccc2\\C1=N/O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5434004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUWCQTJKSPNEGT-UHFFFAOYSA-N", "SMILES:O=C(O)C1=CN2C3C(=C(NCCNc4ccccn4)C(F)=CC3C1=O)OCCC21CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1080901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFXSHIIGXVOKT-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLSRELDSEJWOAS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NCCNc3ccc([N+](=O)[O-])c(N)n3)nc2-c2ccc(Cl)cc2Cl)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONVZFCHLOZUXRP-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(c2cccc(Cl)c2)=C1Nc1ccc(Cl)c(C(=O)O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1232189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGZQOOZHIEPJW-HNNXBMFYSA-N", "SMILES:Cn1cc(C2=C(c3cccc(NC[C@H](O)CO)c3)C(=O)NC2=O)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLDHQANIGAJCG-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c2c(nc3[nH]nc(C)c13)CC(C)(C)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPIWOGXCSQLFH-JOCHJYFZSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1[C@]2(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUQAIGCULONGGN-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMZCYICWAWRMRZ-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3C=CN(C)CC3)cc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBQNGEURQRJQPW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(S(=O)(=O)N3C=COCC3)cc2)nc1C(=O)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHJCFPYPXNXIIT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc3cnc(C(=O)NCC4CCOCC4)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPOCKJBBMGQUAA-UHFFFAOYSA-N", "SMILES:COCCN1CCC(CNC(=O)c2ncc3ccc(-c4cncc(OC(C)C)c4)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBPLNTVFZLDBAW-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(O)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWMWKXSORNDQM-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(N)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTSZJCCEGLODU-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(C)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLMBUGRWWHRBK-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(C#N)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXFNBKLWUAINY-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(NC(C)=O)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNCCDKUEWZSNK-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(NC=O)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDNMUCZABIVTG-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(NC(=O)c2cc[nH]n2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMQROUIFQOFNOQ-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(NS(C)(=O)=O)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARHXQVWPPDBEJ-UHFFFAOYSA-N", "SMILES:C#CCN(CCO)CCCOc1cc(N)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHZMTDSQJFECU-UHFFFAOYSA-N", "SMILES:C#CCN(CCO)CCCOc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMVXBGJENZVHPX-SECBINFHSA-N", "SMILES:C#CCN(C)C[C@@H](O)COc1cc(N)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMVXBGJENZVHPX-VIFPVBQESA-N", "SMILES:C#CCN(C)C[C@H](O)COc1cc(N)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEUYHIXZYKDJGM-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cc1ccc(Cl)cc1)Cn1c(-c2ccc(Cl)s2)nc2ccc(-c3ccccc3-c3nn[nH]n3)cc2c1=O"]}
{"name": "Glutathione-S-transferase", "synonym": ["glutathione transferase"], "xref": ["CHEMBL.TARGET:CHEMBL4105850"], "id": "UniProtKB:Q26513", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6182"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFJWIBEIGCUSD-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1c(-c2ccc(Cl)s2)nc2ccc(-c3ccccc3-c3nn[nH]n3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMFAKVPPNAGYLY-UHFFFAOYSA-N", "SMILES:O=c1c2cc(-c3ccccc3-c3nn[nH]n3)ccc2nc(-c2ccc(Cl)s2)n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPVLDZPOVXNEKV-UHFFFAOYSA-N", "SMILES:O=c1c2cc(-c3ccccc3-c3nn[nH]n3)ccc2nc(-c2ccc(Cl)s2)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLXMJRQCORBOIN-UHFFFAOYSA-N", "SMILES:O=c1c2cc(-c3ccccc3-c3nn[nH]n3)ccc2nc(-c2cccs2)n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPQUPEQXNLUTRX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccc2nc(-c3ccc(Cl)s3)n(Cc3ccc(Cl)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLJLKXURBBWTFW-RJHWUJBZSA-N", "SMILES:C[C@@H]1CCC2[C@@H](C)[C@@H](OCCN(CCO[C@H]3O[C@@H]4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@]64OO5)C(=O)CCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)O[C@@H]3O[C@@]4(C)CCC1[C@@]23OO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYJOFOZKQKUVJA-GVTDTEMJSA-N", "SMILES:C[C@H]1[C@@H](OCCNCCO[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXPFURVMBGRBR-UHFFFAOYSA-N", "SMILES:CCC1(CCOc2cc(CC(=O)O)ccc2Cl)CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDIYCRKTJIMXPK-UHFFFAOYSA-N", "SMILES:CCCC1(CCOc2cc(CC(=O)O)ccc2Cl)CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUDYANDPDXEAG-UHFFFAOYSA-N", "SMILES:CCCCC1(CCOc2cc(CC(=O)O)ccc2Cl)CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFMSUHKKMMGCJU-UHFFFAOYSA-N", "SMILES:CC(C)C1(CCOc2cc(CC(=O)O)ccc2Cl)CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTRKBMOSZADWDF-UHFFFAOYSA-N", "SMILES:CC(C)CC1(CCOc2cc(Cl)cc(CC(=O)O)c2)CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYPBEYAVLDOEX-UHFFFAOYSA-N", "SMILES:CCC(C)C1(CCOc2cc(Cl)cc(CC(=O)O)c2)CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOBDKNYKACMVAS-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Cl)cc(OCCC2(C3CCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQRWGLLYGJBSEV-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Cl)cc(OCCC2(C3CCCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGSZYDFMXWLKAL-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(Cl)c(OCCC2(C3CCCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHNADQBXNTICL-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJMSKAWTXTEJQ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTERPBPEPKJZGO-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHQJSCFYQWURR-UHFFFAOYSA-N", "SMILES:CC1CCCN1C1(CCOc2cc(Cl)cc(CC(=O)O)c2)CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFXQEQJEGUSYRD-UHFFFAOYSA-N", "SMILES:CN(C)C1(CCOc2cc(Cl)cc(CC(=O)O)c2)CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUIZACKZGMXVOP-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCC3)CCN(c3nc4ccc(C(F)(F)F)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMORXRXVZXFAED-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCOCC3)CCN(c3nc4ccc(C(F)(F)F)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPGLBWBXEOAJKF-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCC3=O)CCN(c3nc4ccc(C(F)(F)F)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCCBLTIVTWKINM-UHFFFAOYSA-N", "SMILES:Cc1cc(CC(=O)O)cc(OCCC2(N3CCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACMXMPXDVGKDBB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)O)cc1OCCC1(N2CCCC2)CCN(c2nc3ccc(Cl)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAGLXEKIFXHEMB-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCC3)CCN(c3nc4ccc(C(F)(F)F)nc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRTMSLDMZKRFFD-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(Cl)c(OCCC2(N3CCCC3)CCN(c3nc4ccc(C(F)(F)F)nc4s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIKNWIMZQISDHR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(C)cc(=O)n(C)c3c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFFBUIFLOKMWKQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(C)cc(=O)n(C)c3c2)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBYPBSYPDAGHO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cn(C)c(=O)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCRAZRPWWUJMQW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(C)c(=O)c3ccccc23)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNMUKZFEAOHJLA-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1sc(-c2ccc(OC)cc2)nc1-c1ccc(OC)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCVSXULGYQXSGT-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1sc(-c2cccc(OC)c2)nc1-c1ccc(OC)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAWWQQRGKSPBP-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1sc(-c2ccc(N3CCOCC3)cc2)nc1-c1ccc(OC)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVOJBPKUDVZXKM-NYHFZMIOSA-N", "SMILES:COc1ccc([C@H]2[C@H](COC(=O)CCC(=O)NO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YONFXCGSVGYJHD-CYFREDJKSA-N", "SMILES:COc1ccc([C@H]2[C@H](COC(=O)c3ccc(C(=O)NO)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOCJQKMEXNZJI-ITPCREKFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"name": "Tumor necrosis factor receptor superfamily member 1B", "xref": ["CHEMBL.TARGET:CHEMBL1250356"], "id": "UniProtKB:P20333", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPYIZXVSNKMLOX-PUZFROQSSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN)c4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVSOGDMGUPNJT-PUZFROQSSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3ccc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDXUKGDQAXGTDS-PUZFROQSSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CO)c4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVRUMVGVFUGLH-PUZFROQSSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CN)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBGDNZAHCQVNRR-TYKWCNGQSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CCN)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNCLQFXBMWGDDJ-PUZFROQSSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CO)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGDKVPBHYKTLL-TYKWCNGQSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CCO)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEFKNVILUVRTOC-GRGXKFILSA-N", "SMILES:CC(=O)NCc1cc2ccccc2n1C1CCN([C@H]2CC[C@@H](C(C)C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMQOWAAURKEWQE-GRGXKFILSA-N", "SMILES:CCOC(=O)NCc1cc2ccccc2n1C1CCN([C@H]2CC[C@@H](C(C)C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDPLZKFHYIQSBG-TYKWCNGQSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CNS(C)(=O)=O)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODTGXINNSNOMFG-PUZFROQSSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CNS(N)(=O)=O)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRSADFNAHKWFQ-QUPDYRNUSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CN4CCS(=O)(=O)CC4)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWKUHYGAJDRKS-QUPDYRNUSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CN4CCCC4)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTZYJWQRRKUIV-WZJNIGMMSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CNC(=O)c4cccnc4)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIDXXNQKOFBLNV-GRGXKFILSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CNC(=O)c4cnco4)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJOIXWGAIBSAW-GRGXKFILSA-N", "SMILES:CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CNC(=O)c4ccc(C(F)(F)F)o4)cc4ccccc43)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTHQRUSCMJZYFT-VOTSOKGWSA-N", "SMILES:Cc1cnc(Nc2ccc(CNC(=O)/C=C/CN(C)C)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOBFVUBHRQGSD-BUHFOSPRSA-N", "SMILES:Cc1cnc(Nc2ccc(CNC(=O)/C=C/C(=O)c3ccccc3)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHSZCQGHWNEQTG-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CNC(=O)CCCN(C)C)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKUUMUKNJAIXDM-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CNC(=O)CCl)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JALGVGXDRIKISN-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CNC(=O)CCCl)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAZQIXVGVZXCAD-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(Nc2ncc(C)c(-c3cnn(C(C)C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGXJJFPQOWNIAF-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CNC(=O)C3CC3)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDAYUKEAHMUJM-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)NCc1ccc(Nc2ncc(C)c(-c3cnn(C(C)C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMYPJUHAZZSTQN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NCc1ccc(Nc2ncc(C)c(-c3cnn(C(C)C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXRJELNJIKQMP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)NCc1ccc(Nc2ncc(C)c(-c3cnn(C(C)C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGTHLADJAXIWDU-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)NCc1ccc(Nc2ncc(C)c(-c3cnn(C(C)C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQXYCADNNJNFHZ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CNS(=O)(=O)C3CC3)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVMAXSJVFOOMQ-VOTSOKGWSA-N", "SMILES:Cc1cnc(Nc2ccc(CCNC(=O)/C=C/CN(C)C)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEBYDLZOOQDTNI-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CCNC(=O)CCCN(C)C)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLHLIODDXJGFV-BUHFOSPRSA-N", "SMILES:Cc1cnc(Nc2ccc(CCNC(=O)/C=C/C(=O)c3ccccc3)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLDUTPQWWZLFGK-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CCNC(=O)CCl)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMSUVVOMJWJPC-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CCNC(=O)CCCl)cc2)nc1-c1cnn(C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGCZZPJVONUJPT-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)NCCc1ccc(Nc2ncc(C)c(-c3cnn(C(C)C)c3)n2)cc1"]}
{"name": "Gag-Pol polyprotein", "xref": ["CHEMBL.TARGET:CHEMBL3638360"], "id": "UniProtKB:P04585", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11706"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGHYHYGWMPQFFB-QMCAAQAGSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQOCBBLIWZMBDX-XNBWIAOKSA-N", "SMILES:COc1ccc(-c2csc(NC(=S)N[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCXBQAQIYRSEV-XNBWIAOKSA-N", "SMILES:COc1ccc(-c2csc(NC(=S)N[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)n2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGQYYBGQTGCTAW-AYQRCBCBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H](NC(C)=O)CSCC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GREZYYWDLBWIJI-XOHRMKEBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H](NC(C)=O)CSCC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLBCXWGTQYWSR-LFAOLKIESA-N", "SMILES:CCCC/C=C/C(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4592694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMMFATBRTRMMEY-OSVOSDFASA-N", "SMILES:C[C@@H]1C[C@H]2C(=O)OC[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)CCC3CCCCC3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPNYCJGNNDTTL-UHFFFAOYSA-N", "SMILES:c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQHIZPGAJWNQRW-UHFFFAOYSA-N", "SMILES:c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEXKUZNBCAUPHN-UHFFFAOYSA-N", "SMILES:c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1COCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNGUIIUQPOESD-UHFFFAOYSA-N", "SMILES:c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CSCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUMCTFNGHLOANX-UHFFFAOYSA-N", "SMILES:CC1CCc2c(c(-c3cn[nH]c3)nc3ccc4[nH]ncc4c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBCLSQCENHSMGQ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIRWSZUQSFDAZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2cc(COc3cccc4cc(Cl)ccc34)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYLKERRZCGNBA-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-n2cc(COc3cccc4cc(Cl)ccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWEBRGCEIMHMHT-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cc(Cl)nc(CSC(=O)O)n2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQDTDBRGYGJFK-UHFFFAOYSA-N", "SMILES:c1cncc(-c2noc(-c3ccoc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGJCGZLFIZKESJ-UHFFFAOYSA-N", "SMILES:c1cncc(-c2noc(-c3cc[nH]c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LATSRERXTLVASZ-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2nc(-c3cccnc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPRKNDYIBVHHFU-UHFFFAOYSA-N", "SMILES:c1cncc(-c2noc(-c3ncsn3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNAQZFZCZSVWEQ-UHFFFAOYSA-N", "SMILES:c1cncc(-c2noc(-c3ncon3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAUQCCKKPQGMEY-UHFFFAOYSA-N", "SMILES:c1cncc(-c2noc(-c3nc[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKFWOIXXGCGHK-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2nc(-c3cccnc3)no2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QETGTJNTKFVXEB-UHFFFAOYSA-N", "SMILES:c1cncc(-c2noc(-c3nnsn3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKMWIUIHNDVGF-UHFFFAOYSA-N", "SMILES:c1cncc(-c2noc(-c3nnon3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGHZNQLKRUDNK-UHFFFAOYSA-N", "SMILES:c1cncc(-c2noc(-c3nn[nH]n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVKFUETYDMWXJQ-UHFFFAOYSA-N", "SMILES:Cn1nnc(-c2nc(-c3cccnc3)no2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSBHZVOYUBWXEV-UHFFFAOYSA-N", "SMILES:C1=CC(c2nc(-c3cccnc3)no2)=CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVROMAZQNMBRRV-UHFFFAOYSA-N", "SMILES:C1=C(c2nc(-c3cccnc3)no2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFXUBESVLSWJQR-UHFFFAOYSA-N", "SMILES:C1=CC(c2nc(-c3cccnc3)no2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVDHEGPXDVQNA-UHFFFAOYSA-N", "SMILES:c1cncc(-c2noc(C3CCCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTLJOCMWPAEAZ-UHFFFAOYSA-N", "SMILES:CCCCCc1nc(-c2cccnc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMJBUKRZVAVAJ-UHFFFAOYSA-N", "SMILES:c1cncc(-c2noc(-c3ccsc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMDVIIZPRLZSOT-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccccc2)c2c(O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJZOBOFMSJPSFF-UHFFFAOYSA-N", "SMILES:Cn1c(COc2cccc3c(=O)[nH]nc(Cc4ccccc4)c23)cnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGTXGVNXSQKOQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccccc2)c2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJQIPKLYOLALI-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(Cc2ccccc2)c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCSDBWQLMBCURU-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3cccc(O)c23)ccc1F)N1CCN(C(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQXSROPJVKQSPY-UHFFFAOYSA-N", "SMILES:Cn1c(COc2cccc3c(=O)[nH]nc(Cc4ccc(F)c(C(=O)N5CCN(C(=O)C6CC6)CC5)c4)c23)cnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYHBJWGJCFCDGS-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccc(O)cc23)ccc1F)N1CCN(C(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPFSDKHFNSBQIJ-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccc3c(=O)[nH]nc(Cc4ccc(F)c(C(=O)N5CCN(C(=O)C6CC6)CC5)c4)c3c2)cnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RELPVTKVSFNAJH-UHFFFAOYSA-N", "SMILES:Cn1c([N+](=O)[O-])cnc1COc1ccc2c(=O)[nH]nc(Cc3ccc(F)c(C(=O)N4CCN(C(=O)C5CC5)CC4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXSTXVIMEGPQLD-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3cc(O)ccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BICAJCDASZYQAQ-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccc3c(Cc4ccc(F)c(C(=O)N5CCN(C(=O)C6CC6)CC5)c4)n[nH]c(=O)c3c2)cnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMCBHQCVSWYPI-UHFFFAOYSA-N", "SMILES:Cn1c([N+](=O)[O-])cnc1COc1ccc2c(Cc3ccc(F)c(C(=O)N4CCN(C(=O)C5CC5)CC4)c3)n[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQTVZNVHGTUBAL-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2nc(Cc3ccc(F)c(C(=O)N4CCN(C(=O)C5CC5)CC4)c3)c3ccccc3c2=O)cnc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMKZDLWDUPNLLZ-SANMLTNESA-N", "SMILES:COc1ccc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTQHXVPZJBUCLV-VWLOTQADSA-N", "SMILES:COc1ccc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRZFIWWERWBCRP-XMMPIXPASA-N", "SMILES:Cc1[nH]c2ccccc2c1CC(=O)[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYEJRNICLFAULW-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2=NC(c3ccccc3)=CC(c3ccccc3)O2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXFHDEBKXPLYTG-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2=NC(c3ccccc3)=CC(c3ccccc3[N+](=O)[O-])O2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REHZEYOLYQPHLH-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2=NC(c3ccccc3)=CC(c3cccc([N+](=O)[O-])c3)O2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXIJXWLHRFJMM-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2=NC(c3ccccc3)=CC(c3ccc([N+](=O)[O-])cc3)O2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALAORUOMJVONKU-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2=NC(c3ccccc3)=CC(c3ccccc3O)O2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWHYXDBZQLZLT-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2=NC(c3ccccc3)=CC(c3cccc(O)c3)O2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECHABOQCWVSRQ-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2=NC(c3ccccc3)=CC(c3ccc(O)cc3)O2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAMHSKDHTIWRAS-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2=NC(c3ccccc3)=CC(c3ccccc3Cl)O2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQIPRAJUPQTGB-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2=NC(c3ccccc3)=CC(c3cccc(Cl)c3)O2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJMQVZDOLVTKPB-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2=NC(c3ccccc3)=CC(c3ccc(Cl)cc3)O2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHGLTVNXCKZME-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1C=C(c2ccccc2)N=C(Nc2nc(N)nc(N3CCOCC3)n2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLKMKHQSIJADFX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2C=C(c3ccccc3)N=C(Nc3nc(N)nc(N4CCOCC4)n3)O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYBDEBJIQGMGEQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2C=C(c3ccccc3)N=C(Nc3nc(N)nc(N4CCOCC4)n3)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQAQFFRPWGNWEQ-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC(Cc2ccccc2)CC1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSCXMWVHIGGVCA-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC(Cc2ccccc2)CC1)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4745742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMVKEPMDBDVLD-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(Cc2ccccc2)CC1)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNZGLNDSZAWCB-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(Cc2ccccc2)CC1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCKWIPZIDTWEDY-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSPRBVTBQXVOG-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccccc2s1)N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWLIFZXOELFYNR-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccccc2o1)N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJWNBSBKCEPPG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJWUWCVWWHGIPX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRIVOCIAOJTZRD-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Br)N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROCSQNCAJXSRKE-UHFFFAOYSA-N", "SMILES:O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNQHVGYFQUHRNW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(N)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGKHSNYJZNWGS-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOPVKOYCNGNBIS-UHFFFAOYSA-N", "SMILES:c1ccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGIEXNRTSYNRB-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZGPLAWHLIPRU-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXMLZUUOGCFASU-UHFFFAOYSA-N", "SMILES:Fc1ccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKNYBANUNOSKQW-UHFFFAOYSA-N", "SMILES:Fc1cccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROYFRQMPVZYFB-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Sc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARKAMYMRFVEAP-UHFFFAOYSA-N", "SMILES:Clc1ccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASGRXZPMVMUXFV-UHFFFAOYSA-N", "SMILES:Clc1cccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMMNNEZFLVTFOE-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Sc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSAZNRASVNUPZ-UHFFFAOYSA-N", "SMILES:Brc1ccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFBRAVHEOXRPB-UHFFFAOYSA-N", "SMILES:Brc1cccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMVUBGNPHLOIB-UHFFFAOYSA-N", "SMILES:Brc1ccccc1Sc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISAATOJUXZAFCO-UHFFFAOYSA-N", "SMILES:c1cc(Sc2ccc3[nH]ncc3c2)nc(Nc2ccc(N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOFQYPBVQAOECG-UHFFFAOYSA-N", "SMILES:c1cc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKMXLXDLSIRHMF-UHFFFAOYSA-N", "SMILES:c1ccc2c(Sc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBIXCVKJSBACZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Sc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQUZBQXWMKOCH-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLIYALIEGDJFJK-UHFFFAOYSA-N", "SMILES:Nc1cccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPYKDFXRTGRRGW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Sc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUFRONWJVOQFPT-UHFFFAOYSA-N", "SMILES:CNc1ccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APSSYSPPVXKVIX-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLQFABKGVDPVES-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDYXEZFEKMFQSD-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHMLBIZZALSBZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCBQYULDASSAN-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(N4CCSCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTONWLWGUSXIA-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(CN4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEHRSTWBRTJFC-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUHOJXBJWWEAED-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPSXIDFVXHYZNG-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWIFLCGOIQHECU-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(CN4CCNCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKUGFSPHNBJWQC-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(NC4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQRRLVLTLTXJAA-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPGVILCAQXFPJC-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(NC4CCNCC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMKKVWQMGRWIOU-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2ccnc(Nc3ccc(NC4CCNC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPJZBZXCQYXEL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(Nc2nccc(Sc3ccc(N)cc3)n2)ccc1NC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPDMCSPDAMQRT-MPEMAJBCSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CNC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@](C)(C/C=C/C[C@@](C)(C(=O)O)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMXBWCURAJDBX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(OCCCF)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQFRNJFVBOYLNM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(OCCF)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDENYTHBTKQYOZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(C(=O)OCCF)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQZCZRNCJUQHV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(-c3cccnc3F)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHAYEIAGACOKAF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(-c3ccc(F)nc3)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRASUWPHRXLDMN-UHFFFAOYSA-N", "SMILES:COC(C)c1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGSHDOUVWRGEJ-UHFFFAOYSA-N", "SMILES:CC(O)c1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZMOZUFFUVBQI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc3ccccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVBMFJXHKCDQKV-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYMZQYTUFNJJOX-UHFFFAOYSA-N", "SMILES:CC(=O)c1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYBNBXNIPTVEM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(Br)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRBRXSKMQSQJPR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAMRICVJBBLZFO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(Cl)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYUJUBIRKJUDP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(C(F)(F)F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJIPPPTJMNMMQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(C3OCCO3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHSNRNLBRMIEA-UHFFFAOYSA-N", "SMILES:CC1(c2cncc(-c3ccc(C#N)c(F)c3)c2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBDKMGLQAYKCJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(CO)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWEJBFSXYBSODY-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPCLOPNFCHBEKH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(N)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOHLUWNJLMORRY-UHFFFAOYSA-N", "SMILES:N#Cc1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNKTOCZNZYOSG-UHFFFAOYSA-N", "SMILES:CSc1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWGMHLJVSGXXTL-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEXNSFNKPGYZTG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAFXEPFHOQFAAS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(-c3ccccc3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHVWXVDXHOPOLT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(-c3ccc(F)cc3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSRZPDMGAONAGR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(-c3ccccc3F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQKDFBNAVUVNQN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(C(F)F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJYDUHAJUCMKS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(C(=O)N3CCCC3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPHINBJQBBMJP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(C3OCCCO3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQJPCKHQNFNBRO-UHFFFAOYSA-N", "SMILES:CC1COC(c2cncc(-c3ccc(C#N)c(F)c3)c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLIOWAVDFVDJBF-UHFFFAOYSA-N", "SMILES:N#CCc1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGXHKIAJFIYCL-UHFFFAOYSA-N", "SMILES:CC(C#N)c1cncc(-c2ccc(C#N)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMFLDDZKYRSQX-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cncc(Br)c2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLANSUFHZXCCG-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(C(F)(F)F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCWBQORETDKWPL-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cncc(C3OCCO3)c2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLIHDKYFRZTHEH-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cncc3ccccc23)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGTKUAJGSFAAPR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cncc(-c3ccc(C(F)(F)F)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATDPSSSBWRYFBA-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2ccc(C#N)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWYVYWBSBNLIOO-UHFFFAOYSA-N", "SMILES:N#Cc1cncc(-c2ccc(C#N)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNCIRBNQMQLQC-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(C#N)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTCAYOJKSVFQN-UHFFFAOYSA-N", "SMILES:CN(C)c1cncc(-c2ccc(C#N)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHGCPFFCHZUSHJ-UHFFFAOYSA-N", "SMILES:CCN(C)c1cncc(-c2ccc(C#N)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJHPSEZUYJBINC-UHFFFAOYSA-N", "SMILES:CCN(CC)c1cncc(-c2ccc(C#N)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBVMNJPZLAIBAW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(N3CCCC3)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQSYEBFRFANID-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(-c3ccccc3)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CETRVCUMXXMKKL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cncc(-c3ccc(C#N)c(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBRCBCUBYIDWOF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cncc(-c3ccc(C#N)c(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGZLNMICLPTIOE-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cncc(Cl)n2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBSDQVEWRJXFP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cncc(-c3ccc(C(F)(F)F)c(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZEPNLYENYZXCD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cccnc2F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBSOWDPLMMANU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(F)nc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXNUMVMAQVSHH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(C(N)=O)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPTLQEQGMKUJDU-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cncc(-c3ccc(C(F)(F)F)c(F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLDEZBBURWPGJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc(Cl)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJPUCPCKPBWTPK-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(C(F)(F)F)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFHMLEXWKDQOLF-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cncc(-c3ccccc3)n2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFENDLZESYVCRE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CCc2cc(O)cc(O)c2)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMAFGIRSFLSAZ-NADIVVEESA-N", "SMILES:Cc1ccc(-c2nnn(C/C=C3\\CCC[C@]4(C)[C@@H]([C@H](C)CCC(F)(F)C(C)(C)O)CC[C@@H]34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDEVNRWKNIVKMN-NADIVVEESA-N", "SMILES:Cc1ccc(-c2nnnn2C/C=C2\\CCC[C@]3(C)[C@@H]([C@H](C)CCC(F)(F)C(C)(C)O)CC[C@@H]23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIAIAWUOXHTKNU-LKTCRAKLSA-N", "SMILES:C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYCUDPHRVNFKJH-LKTCRAKLSA-N", "SMILES:C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnnc3-c3ccc(C(F)(F)F)cc3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPPKDNHEMTMQG-LKTCRAKLSA-N", "SMILES:C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnc(-c4ccc(Cl)cc4)n3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPISVIYIHOPLK-LKTCRAKLSA-N", "SMILES:C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnnc3-c3ccc(Cl)cc3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQFMLNUPNCXPRN-UHFFFAOYSA-N", "SMILES:O=C1NC2(CC(c3ccccc3Cl)C2)C(=O)N1c1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVUKPBLCFQIPO-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cn(Cc2cccc(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZJTVQBEYQHQTD-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISYZSSXJZVSNK-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cn(Cc2ccc(C(F)(F)F)cc2F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNYHMJYSGPGCQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSCTXUZWVYMQTL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4cnn(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUKAFZKIDXYAHI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXQWGUHCYAKEC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4ncn(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWITEPIWDRHEN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4ncc(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)n4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYQFVNINNLAMOS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4cnc(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)n4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWVZOVTVZOCLKX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)c4ccc(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)n4c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJCVIKUGYBCFJ-IZZDOVSWSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc(NC(=O)CSc3nc(N)cc(=O)[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZPSUGQFUZSNTG-RUDMXATFSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(NC(=O)CSc3nc(N)cc(=O)[nH]3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMQGQQKVXNXJGV-QBYIZTRCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKQCPHPNRCSZHS-DXTHKOOBSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSVYHGUITLPVEA-XSTSSERXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOYDBJZZCCWCY-WXGDXGANSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VULIIDBOQCEVCZ-ACPIDWHBSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSCc2ccc(cc2)CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZRFWNDHMFKDL-DVLONYMRSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSC/C=C\\CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEMVGSPCLOHJOG-GBPBLIGGSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSCc2cccc(n2)CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQHGWSAVMQWHGI-RDAIJIBISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTWUYPNEFPLRCN-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)o2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SABYITLYKSVAAD-CNEMSGBDSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFHSDODEVTVNV-XWXWGSFUSA-N", "SMILES:COc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O"]}
{"name": "Trehalose monomycolate exporter MmpL3", "xref": ["CHEMBL.TARGET:CHEMBL5465372"], "id": "UniProtKB:A0QP27", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:246196"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNJFOMDXQCDEH-XWXWGSFUSA-N", "SMILES:CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)NC(=O)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPGPEDISAEPIQ-DBBYQSBISA-N", "SMILES:C#CCCC(=O)Nc1ccc(C(=O)c2ccc(Nc3nc(N)c4ncn([C@@H]5O[C@H](COS(=O)(=O)NC(=O)c6ccccc6O)[C@@H](O)[C@H]5O)c4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFKVAYWKBFXDBE-UHFFFAOYSA-N", "SMILES:FCCOc1nc(-c2ccc(Br)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDGXHNXDBPZJAN-UHFFFAOYSA-N", "SMILES:FCCOCCOCCOc1nc(-c2ccc(Br)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRSWAKQCMDQFQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(OCCF)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPIINMRMLYIJO-GUDVDZBRSA-N", "SMILES:Cc1ccccc1[C@H]1Nc2[nH]nc(C)c2[C@@H](O)[C@@H]1n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGOMAGNHDVQWRL-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1ccccc1F)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQXWBNBDLKFNNM-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1ccccc1C(F)(F)F)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZLYEPKPOCRPI-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1ccccc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHUGHYRRDMQZRA-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1ccccc1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNUMYJMXZGIEH-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1ccccc1Br)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLIATESFKHNVTC-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](C1CCCCC1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPMKBQUANORLNL-VAMGGRTRSA-N", "SMILES:O[C@@H]1c2c(C3CC3)n[nH]c2N[C@H](c2ccccc2Cl)[C@H]1n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQXDAEYDBNIDOE-VAMGGRTRSA-N", "SMILES:O[C@@H]1c2ccncc2N[C@H](c2ccccc2Cl)[C@H]1n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMDVIXRFMSMGCW-GUDVDZBRSA-N", "SMILES:Cc1cccc([C@H]2Nc3[nH]nc(C)c3[C@@H](O)[C@@H]2n2nnc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDRANPXITJAFLS-GUDVDZBRSA-N", "SMILES:Cc1ccc([C@H]2Nc3[nH]nc(C)c3[C@@H](O)[C@@H]2n2nnc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTJWUOEIWYBIE-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1cccc(F)c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPGZDFKFSGKME-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1ccc(F)cc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLRRWYJKVADTB-GUDVDZBRSA-N", "SMILES:COc1ccccc1[C@H]1Nc2[nH]nc(C)c2[C@@H](O)[C@@H]1n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQOMZGJEYNVFGV-GUDVDZBRSA-N", "SMILES:Cc1cccc([C@H]2Nc3[nH]nc(C)c3[C@@H](O)[C@@H]2n2nnc3ccccc32)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBJIRDKGJBVFG-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1cccc(F)c1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPUUOXKXDNFGQ-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1cccc(Cl)c1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTWPVMQHGBLNR-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1ccc(Cl)cc1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUUKLALVSBIUGJ-KZNAEPCWSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1cc(Cl)ccc1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFYLHXOTWAOYNI-BRWVUGGUSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](C1CCCC1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDOPXOGNMKKNM-GUDVDZBRSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](C1CCCCCC1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPFJJXYKLGFFH-GUDVDZBRSA-N", "SMILES:CCc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1ccccc1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZJUTQQVRVQVMO-GUDVDZBRSA-N", "SMILES:CC(C)(C)c1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](c1ccccc1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIMBGUTTGZXCZ-PWCSWUJKSA-N", "SMILES:Cc1cc2n(n1)C(O)[C@H](n1nnc3ccccc31)[C@@H](c1ccccc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODZVWCDIUYLQIL-BRWVUGGUSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](O)[C@H](n1nnc3ccccc31)[C@@H](C1CCOCC1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHTUDNXNLAXLN-BRWVUGGUSA-N", "SMILES:O[C@@H]1c2cn[nH]c2N[C@H](c2ccccc2)[C@H]1n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFNVIXRSAVODA-VAMGGRTRSA-N", "SMILES:O[C@@H]1c2cnccc2N[C@H](c2ccccc2Cl)[C@H]1n1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMNUAUSFXLTVAJ-UHFFFAOYSA-N", "SMILES:COCCOP(N)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABNIYONJQKWVCA-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccccc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLLGOJWPPULFE-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccccc4Cl)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUSJXVAUAXGKQ-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4cccc(Cl)c4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNFIFMHMKRCDL-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AURNDDULFPVVJP-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(F)cc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNWHJKTXGGXQH-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHSZPIROSFOAPI-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGACDFOQPBQDRF-HXUWFJFHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVQZVYKYDQLDH-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(OC)cc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWABVRRQBUVKEL-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(OC)c(OC)c4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSQQJCUZTJQSQL-OAQYLSRUSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(N(CC)CC)cc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTSMXXGRIGBEL-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(N(C)C)cc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHACVJHUJVMLD-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4cccc(N(C)C)c4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIBZMEASUHNXNR-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccccc4N(C)C)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPUQISNJIYLNNE-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccco4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFWBDRLXAWZJR-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4cccs4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFXDPWJSHXBSM-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc[nH]4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGDKPYMCBWLNI-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccccn4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOBMRZKUGBKOY-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4cc5ccccc5s4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRCZEDAPLBWSCL-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4sc5ccccc5c4Cl)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKDXGAQHXBXSIL-HSZRJFAPSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECBCIAAFCZAPM-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4cccc5c4CCCC5)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVUNOSKAGIKUEE-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)C4CCN(C)CC4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYXPBZMYSJIOI-NNLPGIIWSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)C45CCC(CC4)C5)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKAJAZGYTYTJBP-FAYPWJRKSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRIUYTRRZXXXFN-GOSISDBHSA-N", "SMILES:CC#CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccccc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJRGXOJMPQOLLN-NNVROAHOSA-N", "SMILES:N#C/C(=C\\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccccc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVKEPBNONKTOI-QGZVFWFLSA-N", "SMILES:N#CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccccc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVYPDHWLPDKVGD-QGZVFWFLSA-N", "SMILES:CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4ccccc4)c4c3OCO4)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTAFUMOTSVYPH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Cn2nc(-c3ccc(NC(=O)c4ccccc4)c4c3OCO4)c3c(N)ncnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZVJLXNNUMIRPY-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(NC(=O)c3ccc(N(C)C)cc3)c3c2OCO3)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIUZCPPYQICTIK-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C2=O)C2(C)C(=O)C3(C)C(c3ccccc3)=C2c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPOTXYGXPWOOG-UHFFFAOYSA-N", "SMILES:CC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1C(=O)N(CCCCN3CCN(c4ncccn4)CC3)C(=O)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLUWIXMSKRANKF-UHFFFAOYSA-N", "SMILES:CC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHOOAVKYZNZARG-UHFFFAOYSA-N", "SMILES:CC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1C(=O)N(CCCCN3CCN(c4ccccc4Cl)CC3)C(=O)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTHKQISEOGROC-UHFFFAOYSA-N", "SMILES:CC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1C(=O)N(CCCCN3CCN(c4cccc(Cl)c4)CC3)C(=O)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJOGIPKODKYGNO-UHFFFAOYSA-N", "SMILES:CC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1C(=O)N(CCCCN3CCN(c4ccccc4F)CC3)C(=O)C12"]}
{"name": "Histamine H1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL4701"], "id": "UniProtKB:P31390", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Latent membrane protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1795089"], "id": "UniProtKB:P03230", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10377"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABZOYHCDFBNPB-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NCc3ccc(NC(=O)C(c4ccccc4)N4Cc5ccccc5C4=O)cc3)c2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQEDBIGWEPACGC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)OCCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c3ccccc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIENCHBZNNMNKG-QNILMXGZSA-N", "SMILES:CC(C)(C)[C@@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAOYSRBUEYWQNL-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPBYUORMVUNGBN-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCPJVCUZBKMDK-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFVCCDHMUKEHI-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1ccc(NS(=O)(=O)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUJRETZMZLTEAA-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPUFPRBAMCCQRH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-n2[se]c3ccccc3c2=O)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZILQYTMHTMTC-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(=O)n(-c3ccccc3)[se]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZBYPRMHSZIUBJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(n2[se]c3ccccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXFXFODFHJFKJ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1C1CCN(S(=O)(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEKVGJOXLVZJD-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1C1CCN(S(=O)(=O)c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIPDFGLUICWQR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(n3[se]c4ccccc4c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZHSBIKDHMXFAA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAPIVKXJCILHMH-UHFFFAOYSA-N", "SMILES:O=c1c2ccc([N+](=O)[O-])cc2[se]n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGBCFNMHQFZBIF-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQEGBQVPHHPHTB-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)N1CCC(n2[se]c3ccccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLQRBDHDDWEON-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1C1CCN(S(=O)(=O)c2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2373045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTJZKCAGFGFNW-ULQDDVLXSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C=O)CCCCN)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGMMLTUQDVAST-HEZDJTGRSA-N", "SMILES:O=C(NC1CCCC1)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPLNOSFMIIASSJ-UXHICEINSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1NC(=O)c1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTMHGVFYKXFPAO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISNXZGZEHBJSS-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACQQPCFASXUFR-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCNCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLOBHHUEIRBCI-QGZVFWFLSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCC[C@@H](N)C3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLOBHHUEIRBCI-KRWDZBQOSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCC[C@H](N)C3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDGWXOXOJPTJA-UHFFFAOYSA-N", "SMILES:CNC1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQIAZKMZHNLIDZ-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)cc1)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVCQMWZJWORBA-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)cc1)C1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAAWIMUHYZAORH-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NC3CCNCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNOYAIZYLDFKSB-KRWDZBQOSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N[C@H]3CCNC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNOYAIZYLDFKSB-QGZVFWFLSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N[C@@H]3CCNC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCLRVCDDEMRLAS-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NCC3CCNCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUDCUYOZFNSNCK-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NC3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPMNNMPRTFUPKS-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NC3CCC(O)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQGCPYDDUWGCFG-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDYQQGVZLFEQO-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NC3CCC(O)CC3)cc2F)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDECYHRRTPOLGV-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NC3CCC(O)CC3)c(F)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOJWEFWRWSWNEK-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CCC(O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRIBNQDCZPITDK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC2CCC(O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXJNTNGBFAXVCM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)ccc1C(=O)NC1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQKKKNAHCJSMJ-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NC3CCNCC3)cc2F)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRFKSBEEGGOCY-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)NC3CCNCC3)c(F)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSGVFIVEGWLNPY-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGGWZQMIIXNJF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)NC2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQZNVWQMGFTOJD-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)ccc1C(=O)NC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3742114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGRDKSRFFUBBU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTZJGNXOAREDLO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CN2CCN(C(C(=O)O)c3cccc([N+](=O)[O-])c3)CC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDQOAKUIJNHKW-DHZHZOJOSA-N", "SMILES:CCOC(=O)C1=C(CN2CCN(C(/C=C/c3ccccc3)C(=O)O)CC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOFGMICEEOLJKD-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(O)c(O)cc2s1)c1ccc(C2(C(F)(F)F)N=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJKHTZFHZXRXNI-LLVKDONJSA-N", "SMILES:O=C(N[C@H](CS)C(=O)Nc1nc2cc(O)c(O)cc2s1)c1ccc(C2(C(F)(F)F)N=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHRKBOSMWRYDQL-CQSZACIVSA-N", "SMILES:CC(C)(C)SSC[C@@H](NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)Nc1nc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLEAIRVLSZAYNZ-YSTGTXGZSA-N", "SMILES:CC1OCCC1SSC[C@@H](NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)Nc1nc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEADIBHPLLNPIM-UHFFFAOYSA-N", "SMILES:O=C(CN(CC1CC2C=CC1C2)C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)Nc1nc2cc(O)c(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBOCFWEBRPNDM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccccc2OC)c2c(C)noc2n1"]}
{"name": "Solute carrier family 26 member 6", "xref": ["CHEMBL.TARGET:CHEMBL5465351"], "id": "UniProtKB:Q9BXS9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUBBVOFPKNKNIY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccc(OC(C)C)cc2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNKDSIFQNQNQAH-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(CNc2nc(C(=O)OCC)nc3onc(C)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTCAUIOXUOCEGX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCCc2ccccc2Cl)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELJWRDAFCETPP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccccc2F)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCIOPRYDCBCRGF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCCc2ccc(Cl)cc2)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXBEJWOEUTZIE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCC(C)OC)c2c(-c3ccc(F)cc3)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDRZWYDVFZPJPM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2cccc(OC)c2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUPAXDCTSIZHAN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccccc2)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXUQTPOFYOARO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccc(C)cc2)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGWEKUTDKYGLZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(Nc2ccccc2C)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYJFFAHIAAPJN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2cc(OC)ccc2OC)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMMHMZJAZMSRO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccc(Cl)cc2)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUGJIVJZGHOMU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2cccnc2)c2c(-c3ccc(F)cc3)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYQOWQGXLYMTIV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccc(F)cc2)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCLRXPORAQFJNQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCCc2ccccc2)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYCUJLYMSLMQE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccc(SC)cc2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSPKDIPNBZMBX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(N2CCN(c3cccc(Cl)c3)CC2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGSMNNOXCCPZIS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2cc(Br)ccc2OC)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRTTVQHAAKGNJH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCCc2ccco2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXZPAWBFDZNYHI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccccc2C)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTTUSTXYPDTNSG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccc(F)cc2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLXZITLICCGDEU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCCC(C)C)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXOLAZEKHRUDP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2cccc(F)c2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEKUGQSVLSUKH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccc(OCC)cc2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSOTKGXQWAEMS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccccc2OC)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMQENWFFIHPBV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccccc2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUYYGHWAPEQCN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCCc2ccsc2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAWAOPROLDGVRT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCCc2cccs2)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSSXYMHSUGLBMU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2cc(C)ccc2C)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUGGLUHXCOFHS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCCc2ccco2)c2c(CC)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWJITRHRQVNLV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(Nc2cccc(C)c2C)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGUVQPKPPDOPS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccccc2Cl)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMONWERNVMZBLJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2cccc(C)c2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEIBQFMGTVXHDB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2ccccc2F)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWABDIBIZQMBE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(NCc2cccc(Br)c2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVIOFDSQRMUBD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(N(C)Cc2ccccc2)c2c(C)noc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXFYCEVRARLMGA-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(Cc4ccc(Cl)cc4)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJUMEKVRSILLBP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(Cc4ccc(S(N)(=O)=O)cc4)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEUXSAOOJUSGKE-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(CCN4C(=O)c5ccccc5C4=O)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLCFJWNITSMHFP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(CC(=O)Nc4ccc(C(F)(F)F)cc4)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPITYXDUNCLQSR-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(-c4ccc5c(c4)OCO5)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZKWZKYFVSJRBK-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-n2cc(-c3ccc(Nc4nc(Oc5c(C)cc(C#N)cc5C)c5sccc5n4)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWKJRCODSBLFP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(-c4ccc(C(N)=O)cc4)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDTMDJNLKCRIFQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(Cc4ccc(B(O)O)cc4)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPWUJZQDQGWTBI-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(Cc4ccc(S(C)(=O)=O)cc4)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCFWZVDTMOSLY-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(Cc4ccc(C(F)(F)F)cc4)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGQJELTMRMZGP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(Cc4ccc(C(F)(F)F)cc4F)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMYVDIONXIUCOP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Cn2cc(-c3ccc(Nc4nc(Oc5c(C)cc(C#N)cc5C)c5sccc5n4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KASQPZVGVMNEEA-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(S(=O)(=O)n4ccnc4)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBQWAKQQBXLQW-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(-c3cn(Cc4ccc(C(N)=O)cc4)nn3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201266", "category": ["biolink:ChemicalEntity"], "name": "LODOXAMIDE", "xref": ["InChIKey:RVGLGHVJXCETIO-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1"], "synonym": ["Lodoxamide", "Lodoxamide", "Lodoxamide", "Lodoxamida"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3245042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFLKAATZFUDCY-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1cccc(NC(=O)C(=O)O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKMFSYWGLKPFY-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NC(=O)C(=O)O)cc(NC(=O)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWPKNXPWRGLLAE-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1cccc(NC(=O)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIJMHGOKYQVRAM-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOVZJCGQMOBDK-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1cc(NC(=O)C(=O)O)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSIPFSCOJGYFCW-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1cc(Br)cc(NC(=O)C(=O)O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBJTMDSFHECRG-UHFFFAOYSA-N", "SMILES:CN(C)c1c(NC(=O)C(=O)O)cc(C#N)cc1NC(=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COQSCQNAELSXSI-UHFFFAOYSA-N", "SMILES:COc1c(NC(=O)C(=O)O)cc(C#N)cc1NC(=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMTXGXUFPOQNK-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWWJCLBCNHJNS-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)Nc1cc(C(=O)O)cc(NC(=O)C(=O)O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQLHRMVHGPVYGK-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)C(=O)O)cc(C(=O)O)cc1NC(=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107161", "category": ["biolink:ChemicalEntity"], "name": "LODOXAMIDE ETHYL", "xref": ["InChIKey:BNTAPIYHWPPFBW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)Nc1cc(C#N)cc(NC(=O)C(=O)OCC)c1Cl"], "synonym": ["Lodoxamide", "Lodoxamide", "Lodoxamide diethyl ester", "Lodoxamide diethyl ester", "Lodoxamide ethyl", "U-42,718", "U-42718", "Lodoxamide ethyl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSKWQREPCWFLT-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)Nc1cccc(NC(=O)C(=O)OCC)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3245030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGFHWFCZFBTOQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)OCC)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKMAJQVCJOPAM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)Nc1cc(Br)cc(NC(=O)C(=O)OCC)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLILFOPCQFPZAV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)Nc1cc(C(=O)OCC(C)C)cc(NC(=O)C(=O)OCC)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSSHBFUSENOMFR-UHFFFAOYSA-N", "SMILES:COC(=O)C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)OC)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESIYRJWYRMMHZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)OC2CC2)c1Cl)C(=O)OC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOGSVUYQTBSGSM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)OC2CCC2)c1Cl)C(=O)OC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNPCTIIHPXVUFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)OC2CCCC2)c1Cl)C(=O)OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYKVGDGPGLXGKS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)OC2CCCCC2)c1Cl)C(=O)OC1CCCCC1"]}
{"name": "G-protein coupled receptor 35", "xref": ["CHEMBL.TARGET:CHEMBL2390813"], "id": "UniProtKB:Q9ES90", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZKQFDIFVZAYER-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXIVJIZYMIRMKA-MKICQXMISA-N", "SMILES:COc1cccc(C=C(C(=O)/C=C/c2ccc(O)c(OC)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRDNRHCPOXRCFO-PWHKKFIBSA-N", "SMILES:COc1ccc(C=C(C(=O)/C=C/c2ccc(O)c(OC)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZKWVVRMKOITQ-JMQWPVDRSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2cccc(O)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCPVSYJULULSS-YDWXAUTNSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(O)cc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPQJKALSFYQWHX-BQYBEJQRSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(O)c(O)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHUKQIHYJHGFKT-QHKWOANTSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccccc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFMDCZUBGRUTOT-LUZURFALSA-N", "SMILES:COc1ccc(C=C(C(=O)/C=C/c2ccc(O)c(OC)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXXMZPOJLHZNA-BQYBEJQRSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(O)c(F)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPYBDWSRSDXCZ-MKICQXMISA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccccc2F)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1669728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXZBFFAZBYYPH-JMQWPVDRSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2cccc(F)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1669729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLOCCTXKJAGYGH-YDWXAUTNSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(F)cc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPCLOLPGXQUSO-LUZURFALSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(F)c(F)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RENKSGYKOUDDKA-LQIBPGRFSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(F)cc2F)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXVZZTLUVMVEOM-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2cc(F)cc(F)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMZNTLCSRBNJBL-QHKWOANTSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(C)cc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2205175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOUYSULZWXCTKG-FNCQTZNRSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISCDGKVKDBRFR-MKICQXMISA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(C=O)cc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTSFWTVIITGSF-YDWXAUTNSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(Cl)cc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGZTFQYDBHHGZ-YDWXAUTNSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc(Br)cc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZRRDNKVWIVQZ-YDWXAUTNSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUVXKXOKVRZGR-NXZHAISVSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccco2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAMYVPHBEQUSDR-JMQWPVDRSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2ccccn2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEWNZQOEXJSGNS-NXZHAISVSA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2cccs2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTUFVRSZXSDNLW-MKICQXMISA-N", "SMILES:COc1cc(/C=C/C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDHPLIOYVENKZ-ZBJSNUHESA-N", "SMILES:O=C(O)CCCCN(CCCC1CCCCC1)S(=O)(=O)/C=C/c1ccc(NC(=O)C2CCC(C(C(=O)O)C(=O)O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZERYGRVFOBRGJG-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4cccc(-c5cccnc5)c4)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQUXIPYNMMOEC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-c3cnn(C)c3)cc(C(F)(F)F)c2)cc1Nc1cccc2c1C(=O)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEWLZFWSZHIFPY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cccc2c1C(=O)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFELFPPKXNAKDQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-c3cnn(C)c3)cc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXGLWWXDTXWYNP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(-c3c(C)noc3C)cc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHNLHLOJLLXDH-JIYHLSBYSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5431573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDBKCDQHZPJIJ-IZZDOVSWSA-N", "SMILES:Brc1ccc(-c2csc(/C=C/c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWVTLYTWICAEU-LFYBBSHMSA-N", "SMILES:COc1ccc(/C=C/c2nc(-c3ccc(OC)cc3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGUYJHZPXSDRT-UHFFFAOYSA-N", "SMILES:Cl.O=C(NC(C1CCCCN1)P(=O)(O)O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOMEPHTUKHWQP-UHFFFAOYSA-N", "SMILES:Cl.O=C(NC(C1CCCCN1)P(=O)(O)O)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULOXTIGSVKLBM-UHFFFAOYSA-N", "SMILES:Cl.O=C(NC(C1CCCCN1)P(=O)(O)O)c1csc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXDGVKBIWHXOID-UHFFFAOYSA-N", "SMILES:Cl.O=C(NC(C1CCCCN1)P(=O)(O)O)c1cc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYKSHQJSXQPFL-UHFFFAOYSA-N", "SMILES:Cl.O=C(Cc1cccs1)NC(C1CCCCN1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGUVPJDYGUMTHP-UHFFFAOYSA-N", "SMILES:Cl.O=C(Cc1ccsc1)NC(C1CCCCN1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKNJMNKFSUXTTR-UHFFFAOYSA-N", "SMILES:Cl.O=C(Cc1cc2ccccc2s1)NC(C1CCCCN1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKBSFKMXSEFMV-UHFFFAOYSA-N", "SMILES:Cl.O=C(Cc1csc2ccccc12)NC(C1CCCCN1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIOBPVPCTBOXAF-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(CC#Cc2nn(C3CCCC3)c3nc(NCc4ccccc4)ncc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXDHZXSSDRPBDG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cn(C)c3ccccc23)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKUBTGXSHTDHA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUCVNAKJPDEIAX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKUSJKZFESSFGI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2ccccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHOVWUQCDSHEY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTGXPUNTKWYLL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMSKVFNOISDAPE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(NC(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMHOLXNNEPPFNZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJPYQEXWGCASRI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc2c1ncn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEPRWKIGLLCKS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N(C)C)n2nc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLWPMCEBHGUJF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2c(C)n(C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDREKXLGZSDPE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2ccccc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKSJXFOFUADOSL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2cn(C)c3ccccc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKRFHQAEGUEQB-IHLOFXLRSA-N", "SMILES:COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2ccc(OCCN3CCC(C)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMNYZLHRDKIII-GFCCVEGCSA-N", "SMILES:CCOc1ccc([C@H]2CC(=O)c3cc(OC)c(OC)c(OC)c32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHQVMGOSNBWTQL-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(c3ncnc4c3ncn4C3CCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQVKWVALVRLQBW-UHFFFAOYSA-N", "SMILES:Clc1ccc(N2CCN(c3ncnc4c3ncn4C3CCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMMVJSZGMHIJNA-FHWLQOOXSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)[C@H](C)N(C)C)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDBPMRYCDSAEE-IRXDYDNUSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)C3(N)CC3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUGFPZQJSLMKFZ-JEVGEUBLSA-N", "SMILES:COC1CC(N)(C(=O)N2CCN3c4nc(OC[C@@H]5CCCN5C)nc5cc(-c6nc(N)cc(C)c6C(F)(F)F)c(Cl)c(c45)OC[C@@H]3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWAPOYOWJCIDV-IRXDYDNUSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)CCN)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSYQVCUNZKUAEY-QIFDKBNDSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)CC3CC5(CCC5)CN3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBVLDYYQJIWNAX-PNYFIKQUSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)[C@@H]3CC[C@H]3N)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPONRGWGVJDAV-AROUASHASA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)CCC3(N)CCOC3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCPJJHPULJACRN-RBIOYLKWSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)CC[C@@]3(C)CCCN3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCTWJWQCQSOANN-UFYCRDLUSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)C[C@@H]3CCNC3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPGWNKNMECSWAB-DBAFAGGRSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)C3CC(N)CCO3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDVRCOZCMBMAW-FSSWDIPSSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)CC[C@H]3CCCCN3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDVRCOZCMBMAW-FKBYEOEOSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)CC[C@@H]3CCCCN3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKHLDOZIHVGDV-PMACEKPBSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)C3CCNCC3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZBVNUIARCGWOW-IJXZTRCJSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)C3CC35CNC5)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBGRLALALYSEN-SFTDATJTSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)CC3CCNCC3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFSQNIDPOBEQV-ZDOMSUIMSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)C3CC35CCNCC5)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUWCFOBETJOFDM-AKQSQHNNSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)CCC3CCNC3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHGBSGWHKCLQL-HKBOAZHASA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)C[C@H]3CCC35CNC5)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPQQXGGXNHXDB-NVPCEHRXSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)C3CCC5(CNC5)O3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCXBMXRMPYPZGF-AKQSQHNNSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)C#CC3CCNC3)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQAIVIYDRSCSX-IMFHVMILSA-N", "SMILES:Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc4c3c(c2Cl)OC[C@@H]2CN(C(=O)/C=C/c3nccc5c3CNCC5)CCN42)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKQGVQKORDZSS-QAWJSIRNSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc3c4c(c(Cl)c(-c5nc(N)cc(C)c5C(F)(F)F)cc4n2)OC[C@@H]2CN(C(=O)/C=C/c4nccc5c4CNCC5)CCN32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRSDCDIKVUABD-CWBWBYDPSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc3c4c(c(Cl)c(-c5nc(N)cc(C)c5C(F)(F)F)c(F)c4n2)OC[C@@H]2CN(C(=O)/C=C/c4nccc5c4CNCC5)CCN32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXIMAJWDKDNES-YATRRXNKSA-N", "SMILES:Cc1cc(N)nc(-c2c(Cl)c3c4c(ncnc4c2F)N2CCN(C(=O)/C=C/c4nccc5c4CNCC5)C[C@H]2CO3)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWOVMWOQVVQYFZ-WQRMAMLASA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc3c4c(c(Cl)c(-c5nc(N)cc(C)c5C(F)(F)F)cc4n2)OC[C@@H]2CN(C(=O)/C=C/c4nccc5c4CN(C)CC5)CCN32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXSFKCCIMWWEN-ZBHKZFFKSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc(N3CCN(C(=O)/C=C/c4nccc5c4CNCC5)C[C@@H]3C)c3cc(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXGIHHWCKZAFV-GIHGVDTBSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc(N3CCN(C(=O)/C=C/c4cc(CNC)ccn4)C[C@@H]3C)c3cc(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHHVHDFEGIQVKY-RECBIUCMSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc(N3CCN(C(=O)/C=C/c4cc(CN5CCOCC5)ccn4)C[C@@H]3C)c3cc(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZOZEIDUUSFKOR-VKBFOAESSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc(N3CCN(C(=O)/C=C/c4cc(CNC)c(C)cn4)C[C@@H]3C)c3cc(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFKGOAWGZZHCX-HGVRHMOLSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc(N3CCN(C(=O)/C=C/c4cc(CN(C)C)c(C)cn4)C[C@@H]3C)c3cc(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDXDZNEGFLTGB-ZUSPRXTGSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc(N3CCN(C(=O)/C=C/c4cc(C5CCN(C)CC5)c(C)cn4)C[C@@H]3C)c3cc(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQOMNLLENOABJ-FXWKYHFRSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc(N3CCN(C(=O)/C=C/c4cccc5c4CNCC5)C[C@@H]3C)c3cc(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRJIMDOMOKFHN-SSMVQBILSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc(N3CCN(C(=O)/C=C/c4cccc5c4CNC(C)(C)C5)C[C@@H]3C)c3cc(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VALDJEIZODIXIN-UKTBRIRYSA-N", "SMILES:C=C1CN2CCC[C@@]2(COc2nc(N3CCN(C(=O)/C=C/c4cccc5c4CN4CCC5C4)C[C@@H]3C)c3cc(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)c(F)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1329457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBVWOBZRJFYHZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2csc(Nc3ncccn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDRCAXYUSCUNE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1nc(-c2ccc(O)cc2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWUDJIDSVQSJG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1csc(-c2ccc(O)cc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZWKHXYPFWEUPZ-UHFFFAOYSA-N", "SMILES:CCCNc1nc(-c2ccc(O)cc2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAKKOTWBESXNEQ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(-c2ccc(O)cc2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEIASHXZYUDARQ-UHFFFAOYSA-N", "SMILES:OCc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNRFPRCWVTZLX-SNAWJCMRSA-N", "SMILES:CC(=O)/C=C/Nc1nc(-c2ccc(O)cc2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEUASTXLSYDXIV-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(C(=O)Nc2nc(-c3ccc(O)cc3O)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCJGSSPGMYSWSI-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(O)c(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROAPTYAIPGIIMP-UHFFFAOYSA-N", "SMILES:CN(c1nc(-c2ccc(O)cc2O)cs1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRQBFFKDWBZBB-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2csc(NC3CCCCC3)n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFUCGABQOMYVJW-MRVPVSSYSA-N", "SMILES:C[C@@H](O)CCc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5406881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPZVHFSJOGPBJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOIKBEOOHYVFED-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBVUPMKTKLFPP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJIHEDQQKQVAW-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(O)CC1)Nc1ccc2c(O)c3cc(NC(=O)CCN4CCC(O)CC4)ccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYVQQPJORNGETP-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(O)CC1)Nc1ccc2c(O)c3ccc(NC(=O)CCN4CCC(O)CC4)cc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKMWOFREENGXSB-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(O)CC1)Nc1ccc2nc3ccc(NC(=O)CCN4CCC(O)CC4)cc3c(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFNLULPJQCSLC-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2n(Cc2ccccc2)c2cc(N3CCOCC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBUUUIFZYMVDPT-DLMBMICPSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCn2cc(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)/C=C/CN3CCCCC3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBWBAVVGPFIES-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N(Cc3ccc([N+](=O)[O-])cc3)c3ccc(F)c(Cl)c3)c2cc1OCCOCCOCCOCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4177035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUTYVWHWSUKPL-NOZJJQNGSA-N", "SMILES:C[C@H](CS)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUTYVWHWSUKPL-RNCFNFMXSA-N", "SMILES:C[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUSLTQLNAFCZJP-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc2c1N=C(C(=O)O)C2c1ccc(CS(C)(=O)=O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVGDNPGVZIEQAP-UHFFFAOYSA-N", "SMILES:Nc1nc2cccc(-c3ccc(S(N)(=O)=O)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNUJWGQKZUPQB-JTQLQIEISA-N", "SMILES:Nc1nc2c(-c3ccc(S(=O)(=O)NC[C@H]4CCNC4)c(S(N)(=O)=O)c3-c3nnn[nH]3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOBAPQERIMOPF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)n1ccc(-c2ccc(F)cc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4087144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTWUNOVBCHBJR-NGJCXOISSA-N", "SMILES:N[C@H](CN[C@H](CN[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5417591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBRVECRAOOLMLO-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=S)SSC(=S)N(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOKWRONEBQFTDW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2c1C(=O)N(Cc1c(F)cccc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTSKORUQBHAOPL-UHFFFAOYSA-N", "SMILES:O=C1C(SCCCS)CCN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTWVMVSSSBGFHH-JKUQZMGJSA-N", "SMILES:O=C(O)[C@@H]1CS[C@H]2CS[C@H](CS)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTWVMVSSSBGFHH-NGJCXOISSA-N", "SMILES:O=C(O)[C@H]1CS[C@@H]2CS[C@@H](CS)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDJRVUSOKZHOS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CP(=O)(O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMLFSBIYIPWZDN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(C(O)P(=O)(O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGRJQGVXXCIMN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ncsc1NS(=O)(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWRJNLSEWKOGW-UHFFFAOYSA-N", "SMILES:Cc1oc(C)c(S(N)(=O)=O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSESKJZGUOEQOI-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)O)c(S(N)(=O)=O)c(CC)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMAXUCOVKFWPD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)n1ccc(-c2ccc(C3CCNCC3)cc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAKTDQGVCHONK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccccc2C(=O)O)[nH]1)Nc1nc2ccccc2s1"]}
{"name": "Beta-lactamase L1", "synonym": ["Metallo-beta-lactamase L1 type 3"], "xref": ["CHEMBL.TARGET:CHEMBL3326"], "id": "UniProtKB:P52700", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:40324"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIVLJJYEPRMDKZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1CNn1c(-c2cccc(-c3ccccc3)c2)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLVSSIENHLWOG-UHFFFAOYSA-N", "SMILES:O=C(O)CCCn1c(-c2cccc(-c3ccccc3)c2)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBUBAKYGXCFNIB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1CCn1c(-c2cccc(OCCN3CCOCC3)c2)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234848", "category": ["biolink:ChemicalEntity"], "name": "NITRILOTRIACETIC ACID", "xref": ["InChIKey:MGFYIUFZLHCRTH-UHFFFAOYSA-N", "SMILES:O=C(O)CN(CC(=O)O)CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5396533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZIHIQIVLANVKD-UHFFFAOYSA-N", "SMILES:O=C(O)CN(CC(=O)O)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBMUQQHDZWDTJ-XYXHBKGXSA-N", "SMILES:O=C(O)C1=C(CSc2nnc(-c3ccc(-n4[se]c5ccccc5c4=O)cc3)[nH]2)CSC2[C@@H](NC(=O)c3ccccc3)C(=O)N12"]}
{"name": "Beta-lactamase TEM-1", "synonym": ["Beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL1287599"], "id": "UniProtKB:Q4GY26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989959", "category": ["biolink:ChemicalEntity"], "name": "NACUBACTAM", "xref": ["InChIKey:RSBPYSTVZQAADE-RQJHMYQMSA-N", "SMILES:NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O"], "synonym": ["Nacubactam", "Nacubactam", "FPI-1459", "RG-6080", "RG6080", "RO-7079901", "RO7079901", "Nacubactam"]}
{"name": "Beta-lactamase CTX-M-14", "synonym": ["Beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL1287630"], "id": "UniProtKB:Q9L5C7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"name": "Beta-lactamase OXA-1", "xref": ["CHEMBL.TARGET:CHEMBL4951"], "id": "UniProtKB:P13661", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"name": "Beta-lactamase OXA-23", "xref": ["CHEMBL.TARGET:CHEMBL3885669"], "id": "UniProtKB:Q9L4P2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:470"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEITSYRXIIDFH-CNZKWPKMSA-N", "SMILES:NS(=O)(=O)C1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHNOICWPZIYKI-GEMLJDPKSA-M", "SMILES:CC1=C[C@H]2CN(C(=O)N2OS(=O)(=O)[O-])[C@@H]1C(N)=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2031559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJFWUUNKXRFOL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc(C(F)(F)F)cc2[nH]cnc12"]}
{"name": "Beta-lactamase CTX-M-27", "synonym": ["Beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL1667680"], "id": "UniProtKB:Q840M4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:562"]}
{"name": "Beta-lactamase", "xref": ["CHEMBL.TARGET:CHEMBL2026"], "id": "UniProtKB:P00811", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5171499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVLVNOAMAMUIJM-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnn[nH]1)c1cc(-c2ccccc2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTPHKKMJMGEGQC-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnn[nH]1)c1cc(-c2ccccc2)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJEDPBAVLKLJHA-FGHRXAJISA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1OC1CCSC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENPYTRHICXVCS-VFRRUGBOSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)CC(N)[C@H]1NC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5416900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHWZMUPBNAQJP-GVMWDCHJSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)COCCOCCOCCOCCN[C@H](C(=O)N2C[C@H](O)CC2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFKGEZDVMCYEO-UHFFFAOYSA-N", "SMILES:Cc1onc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2N(C)C(=O)CC(C)(C)C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283117", "category": ["biolink:ChemicalEntity"], "name": "ASPERLICIN", "xref": ["InChIKey:MGMRIOLWEROPJY-FPACPZPDSA-N", "SMILES:CC(C)C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O"], "chembl_natural_product": true}
{"name": "Cholecystokinin", "xref": ["CHEMBL.TARGET:CHEMBL5465544"], "id": "UniProtKB:P01355", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBXJQSNTKADJB-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cc(F)cc(-c2n[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBHPLWTLUVGNU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(F)cc(-c2n[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFFZRCCJSTDOP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccccc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIWIOFZXFSKQTE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5cccnc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHGEOWDIWFUCT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5cncnc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBNJPAPNFXEMP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncnc1)Nc1cc(F)cc(-c2n[nH]c3ncc(-c4ccc(CN5CCOCC5)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXAOAKWGJQGTSH-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc4[nH]nc(-c5cc(F)cc(NC(=O)Nc6cncnc6)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMIDELFSFNCISG-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)cc(-c3n[nH]c4ncc(-c5cccc(S(C)(=O)=O)c5)cc34)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHHJOCFQYLDHD-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)cc(-c3n[nH]c4ccc(-c5cccc(S(C)(=O)=O)c5)cc34)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVXXZYIFNOSOB-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)cc(-c3c[nH]c4ncc(-c5cccc(S(C)(=O)=O)c5)cc34)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMCFILZAVBGDJY-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)cc(-c3n[nH]c4ccc(-c5cccc(S(C)(=O)=O)c5)nc34)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXITFDAFDYZRG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cccc(F)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKPZZDUMDWGAKU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(N)cc(F)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWJDRIPNZRFLPR-UHFFFAOYSA-N", "SMILES:CNc1cc(F)cc(-c2n[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKYMOKHIJUNTSF-UHFFFAOYSA-N", "SMILES:CCNc1cc(F)cc(-c2n[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZFRVQXUVOWDEX-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1cc(F)cc(-c2n[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWHLDZWJSAXIJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2n[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJJFSWDZSKMNK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Cl)cc(-c2n[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOVXLKCPIAGYMZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(C#N)cc(-c2n[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSJKGPFIBSJYPH-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)=O)cc(-c2n[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVHQESDYSNTWHO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)c5ccccc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRUIDQECOUGOX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Cc5ccccc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZPWJSZFEREKHS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccccc5F)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHKDWHNPSQDPQX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccccc5Cl)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPYQUDGUBLNCX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccccc5Br)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYAUSGOGZJDQB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5cccc(F)c5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBEVDTSULXEXMQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5cccc(Cl)c5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHEAZCJXDMJWEL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5cccc(Br)c5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWEUPKBZUQGZPF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccc(F)cc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGIFTGQPKCTJNC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccc(Cl)cc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEFNIEFADSXECV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccc(Br)cc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJOKUEPULAIINA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5cccc(C(F)(F)F)c5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQYGFBNVGPFNC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccc(C(F)(F)F)cc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQEGDYHHZGIHGQ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Nc2cc(F)cc(-c3n[nH]c4ncc(-c5cccc(S(C)(=O)=O)c5)cc34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHRAQHUPBZAQZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2cc(F)cc(-c3n[nH]c4ncc(-c5cccc(S(C)(=O)=O)c5)cc34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATXDHLHSDZREO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5cccc(N)c5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMXSBYQVAJPRMA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccc(N)cc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPEGIMXEDFJRGM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccccn5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEXESGBMXYMQL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccncc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKBKDWCBRRZHT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5cccnn5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOBJXLIXRQMSS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5ccnnc5)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQKELJOOVTUFZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5cncnc5)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEOYRNYXGUXMP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncnc1)Nc1cc(F)cc(-c2n[nH]c3ncc(-c4cccc(CN5CCOCC5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNSBKSNYVJYAOW-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cccc(-c3cnc4[nH]nc(-c5cc(F)cc(NC(=O)Nc6cncnc6)c5)c4c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWJEXPFOCURBR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(-c3cnc4[nH]nc(-c5cc(F)cc(NC(=O)Nc6cncnc6)c5)c4c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDQOICUOQTKSR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5cc(F)cc(NC(=O)Nc6cncnc6)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1575436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVUPMFXOKKTVQT-UHFFFAOYSA-N", "SMILES:CSc1scc2c1-c1nc(SCC(=O)C(C)(C)C)ncc1CC2"]}
{"name": "Dual specificity protein phosphatase 10", "xref": ["CHEMBL.TARGET:CHEMBL2396511"], "id": "UniProtKB:Q9Y6W6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIJKIVHEOQCKS-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)CSc1ncc2c(n1)-c1ccccc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXDKCGIZLJVFB-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)CSc1ncc2c(n1)-c1cc(Cl)ccc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJKFVEVAOYCZCH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)-c1nc(SCC(=O)C(C)(C)C)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIKYWZUDUGEQDD-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)CSc1ncc2c(n1)-c1cccnc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBOQSZSJIRZFQ-UHFFFAOYSA-N", "SMILES:CCCc1scc2c1-c1nc(SCC(=O)C(C)(C)C)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPYHHHLWIQKWLI-UHFFFAOYSA-N", "SMILES:CCc1csc2c1-c1nc(SCC(=O)C(C)(C)C)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJIYFCAESQMRI-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)CSc1ncc2c(n1)-c1ccsc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEOGXHOWWZZAJG-UHFFFAOYSA-N", "SMILES:CCCc1csc2c1-c1nc(SCC(=O)C(C)(C)C)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGIASAJUUPOEL-UHFFFAOYSA-N", "SMILES:CSc1scc2c1-c1nc(SC3CCC(C)(C)C3=O)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKGUHGUPFAFNQC-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)CSc1ncc2c(n1)-c1c(csc1SC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCCHNAKPJGTUQJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2cnc(SCC(=O)C(C)(C)C)nc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRXDOWYEEFFVID-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)CSc1nccc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLRNXKTPNIBQW-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)CSc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTVPTJIMRFFEL-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)CSc1ncc2cnc3ccccc3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRYQZBLHWMAJQT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCc1cnc(SCC(=O)C(C)(C)C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXZJLDXICNYKM-UHFFFAOYSA-N", "SMILES:CC(C)Cc1scc2c1-c1nc(SCC(=O)C(C)(C)C)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSUROJCVMPQJT-UHFFFAOYSA-N", "SMILES:CSc1scc2c1-c1nc(SC3CCCC(C)(C)C3=O)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAXMMXLZETURKN-UHFFFAOYSA-N", "SMILES:CSc1scc2c1-c1nc(SCC(=O)N(C)C)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEGNKRRKULNPPF-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CSc1ncc2c(n1)-c1c(csc1SC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWQFJKTSIOYIR-UHFFFAOYSA-N", "SMILES:CSc1scc2c1-c1nc(SCC(=O)N3CCCC3)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1997963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCVMNQLRNHDOD-SNVBAGLBSA-N", "SMILES:C=C(C)[C@@H]1CCc2c(c(C)cc(O)c(=O)c2O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4080764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPFOMEPHWQONFN-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)cc(O)c(=O)c(O)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPLOMVOOCPGPQY-ZZIIXHQDSA-N", "SMILES:Cn1cc(-c2ccc(-c3ccccc3)cc2)s/c1=N/N=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNRFNPKOQGRTFS-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(=O)oc2c(O)c(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL45578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYAXIESQUNGIMN-MDZDMXLPSA-N", "SMILES:CCOC(=O)C(=O)CC(=O)/C=C/c1cccn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZCDPXIHYHFCKD-GIDUJCDVSA-N", "SMILES:O=C(N/N=C/c1ccc(O)cc1O)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGJZSLAADUBYPN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2c[nH]/c(=N\\N=C3/C(=O)Nc4ccccc43)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWHJZOWHWTWHOU-UHFFFAOYSA-N", "SMILES:Nc1nn(C(=O)c2ccccc2)c(N)c1C(=S)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDGUHWGLZSANS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(OC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBJYDTZYGCAIN-UHFFFAOYSA-N", "SMILES:O=C1Cc2ccc(-c3ccco3)cc2C(=O)N1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCOHOYQLVOQPFZ-JIRZZPDHSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)C(C)c4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBEAXEHFZLGHEG-UHFFFAOYSA-N", "SMILES:O=C(c1c[nH]c2ccccc2c1=O)N(Cc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSOZYBIDCNHWSW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2CN1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL354541", "category": ["biolink:ChemicalEntity"], "name": "LOMITAPIDE", "xref": ["InChIKey:MBBCVAKAJPKAKM-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1"], "synonym": ["Lomitapide", "Lomitapide", "Lomitapide", "Lomitapida", "Lomitapide", "Lomitapide", "AEGR-733", "BMS-201038-01", "Lojuxta", "Lomitapide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3970001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVNBRWRPBHVKL-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUZKWNAFWXCDGZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1nc(Nc2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLNGWFLRRRYNIL-PLNGDYQASA-N", "SMILES:COc1cc(-c2ncn(/C=C\\C(=O)OC(C)C)n2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL66699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIVUVRPLLRMTDC-VWLOTQADSA-N", "SMILES:O=C(Cc1ccncc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHMUJRNDDRQZFR-UHFFFAOYSA-N", "SMILES:COc1cc2oc(-c3ccc(NCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)cc3)cc(=O)c2c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAWFXAPFQYDPBV-QFIPXVFZSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(-c2cc(=O)c3c(O)c(O)c(OC(=O)N[C@@H](Cc4ccccc4)C(=O)OC(C)(C)C)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVIHICYLTFQJLV-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(-c3ccc(O)cc3)c2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOCOAQYXWJFYRB-WSVATBPTSA-N", "SMILES:O=C1N=C(C(=O)c2c[nH]c3ccccc23)N/C1=C\\c1c[nH]c2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5440332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLXZWTDLTOPFFS-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVGLAFEPVMTMZ-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTRMYQQVSZDVEY-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPOKVSCCTXUXCZ-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRIHJRDMWTWBBJ-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTVHNBVKKESBO-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILBQLFZZMUWAA-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGTFEOIGONAMRM-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZJZJSBEQPYBY-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCCCC(=O)NCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMDHQASFVBNFMP-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCCCC(=O)NCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYGBQKAGVQUDLN-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCCCC(=O)NCc5ccc(COc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)cc5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDZFZFNURJLLIU-UHFFFAOYSA-N", "SMILES:C=CCCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCPGTAHFDVFPX-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTICZUBRHDIMI-QKDODKLFSA-N", "SMILES:COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)Cc1cc2cc(Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4115972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJCFZKBYJYTCH-UIOOFZCWSA-N", "SMILES:O=C(Nc1ccc(O[C@H]2CCNC2)c(-c2ccc(F)cc2)c1)c1ccc(O[C@H]2CCNC2)c(-c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOJWIBWEJWBKC-SNAWJCMRSA-N", "SMILES:Oc1c(Br)cc(Br)cc1/C=C/NC(=S)NC1CC2CC1C1C=CCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUGCPLPAYIBOF-UHFFFAOYSA-N", "SMILES:O=C(CCCCNC(=O)c1ncc(-c2ccccc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOAUNDBJPEZPU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)c1ncc(-c2ccccc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUJXZMRSZVDMK-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccccc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRLWIHBTAHJPEB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCNC(=O)c1ncc(-c2ccccc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGNGEBHBPOOKOZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEIDBWFJKMZDK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(C(=O)NCCCCC(=O)NO)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEOGDDWIWAHOU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(C(=O)NCCCCCC(=O)NO)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GANSLSBKCCYMIF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(C(=O)NCCCCCCCC(=O)NO)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQDHGOUWCDEQQL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVVULRNUGBJVRX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc(C(=O)NCCCCCCCC(=O)NO)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNQUAPDLFVCQQV-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnc(C(=O)NCCCCCCC(=O)NO)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPHDDGXHLVJUMN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccc(F)cc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNWLMVWHXKRQRH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccc(Br)cc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMWRXNKNWOGSW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCNC(=O)c1ncc(-c2ccc(Br)cc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCKGAEGEXUENNS-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2cccc(Br)c2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPIFUUQOAZPMR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccc(Cl)cc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMXJXYCBGMRJAV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2cccc(Cl)c2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDXLCYNKSUFPU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccccc2Cl)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVXQHLHSHMJCL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(C(=O)NCCCCCC(=O)NO)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDGOANNQHWKCJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOGAVACQQTXEQJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXUJLNQFBWVQOO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cnc(C(=O)NCCCCCCC(=O)NO)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTLIMLRKGNTACF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccc(C(F)(F)F)cc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSUSJAIUOGNLQ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCNC(=O)c1ncc(-c2ccc(C(F)(F)F)cc2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCYUTQVBKAXJN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2cccc(C(F)(F)F)c2)o1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOICNVZENYUFMJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccccc2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBRJZIMEHHQSQY-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccc(F)cc2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYRRTVDCDBRLF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccc(Cl)cc2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFBBFWXXLQXJOC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2cccc(Cl)c2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGLSHIZYYTQFM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccccc2Cl)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHROLPNQMXRXGC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(C(=O)NCCCCCC(=O)NO)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHCYCUFHJCZBJP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKFQLKMCQAUMBQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(C(=O)NCCCCCCCC(=O)NO)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLZXMFIZCYCHGG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNMNOJVZMPVFR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc(C(=O)NCCCCCCCC(=O)NO)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQAUKCBFWYIVMU-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnc(C(=O)NCCCCCCC(=O)NO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNNFTAEMSULEU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVQZYMNMURBHGT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJURHDGOWYMTO-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2ccc(C(F)(F)F)cc2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYPZBNRWVWHMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(C(=O)NCCCC(=O)NO)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MARNUMYHDTZLRD-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)c1ncc(-c2ccccc2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZFJBBQCEONBIJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ncc(-c2cccc(C(F)(F)F)c2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFBWEUIKKCWEW-WEZTXPJVSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCQMRMHIQTRFD-VWYUPGGISA-N", "SMILES:C[C@H]1/C(=C/C=C2C[C@@H](O)C[C@H](O)C2)CCC[C@@H]1c1ccccc1OCCC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXPHELCJHNVTC-GLCMPUMCSA-N", "SMILES:C[C@H]1/C(=C/C=C2C[C@@H](O)C[C@H](O)C2)CCC[C@@H]1c1ccccc1OCCCC(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWMEPRZVFXPBO-RFMAZDRGSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@H](c3cccc(OCCC(C)(C)O)c3)[C@H]2C)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLSHBWTHXMKND-SJCDMKQGSA-N", "SMILES:C[C@H]1/C(=C/C=C2C[C@@H](O)C[C@H](O)C2)CCC[C@@H]1c1cccc(OCCC(C)(C)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLSHBWTHXMKND-WFSGLLSDSA-N", "SMILES:C[C@@H]1/C(=C/C=C2C[C@@H](O)C[C@H](O)C2)CCC[C@H]1c1cccc(OCCC(C)(C)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJWJDAPAQLBTHK-QQKKQOIJSA-N", "SMILES:C[C@H]1/C(=C/C=C2C[C@@H](O)C[C@H](O)C2)CCC[C@@H]1c1cccc(OCCCC(C)(C)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHARJLXKHHHWHM-LRCGIMOVSA-N", "SMILES:C=C1/C(=C\\C=C2/CCC[C@H](c3cccc(CCCC(C)(C)O)c3)[C@H]2C)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWYZABBIHLRBLV-QOZDGTMRSA-N", "SMILES:C[C@H]1/C(=C/C=C2C[C@@H](O)C[C@H](O)C2)CCC[C@@H]1c1cccc(CCCC(C)(C)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTJYEZMBNSRQPQ-KDHPTEKWSA-N", "SMILES:CC(C)[C@H]1C/C(=C\\C=C2C[C@@H](O)C[C@H](O)C2)[C@H](C)[C@@H](c2cccc(OCCC(C)(C)O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTJYEZMBNSRQPQ-VEBMMOCQSA-N", "SMILES:CC(C)[C@@H]1C/C(=C\\C=C2C[C@@H](O)C[C@H](O)C2)[C@@H](C)[C@H](c2cccc(OCCC(C)(C)O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMSXAFTTXRQBC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccccc2F)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYJGRJLSOIXHAN-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2cccc(F)c2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUDFBOPXKLGCPO-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2cccc(F)c2F)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUOHTFWIODCDB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccc(F)cc2F)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPXJUPETHRJJI-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2cc(F)ccc2F)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPDZPMDUMKHQHH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2c(F)cccc2F)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLBMPFRFVOROU-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2cc(F)cc(F)c2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCLHCCQDAROBT-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccccc2Cl)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYMIYIKXNPSIY-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2cccc(Cl)c2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVGENMSHNGBCF-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccc(Cl)cc2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXVITZFOOBYEQT-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2cccc(Cl)c2Cl)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDASOZBKGQRIKV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccc(Cl)cc2Cl)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUDITPRZZDYSP-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2cc(Cl)ccc2Cl)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXZUNCEUZTRLW-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2c(Cl)cccc2Cl)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXILVSZTPDNLOU-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2cc(Cl)cc(Cl)c2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUEWYPIJBGOVLR-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccccc2Br)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGNMFWFUZQIPV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2cccc(Br)c2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOSGTMVWHDBIE-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccc(Br)cc2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIRDYUYFWISCJW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWXDBPPNZOHLT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUYLCUAXRRFSFA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCEGBBHKNLKVOF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONMPSGNFXHQKJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDKAOFYLRGSUIW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKBIAKDDRPKPM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQWXVAJVAUCOOC-UHFFFAOYSA-N", "SMILES:COc1cccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKIYEBXEYFYQNM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccccn2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITZCERUGPCEPOO-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccncc2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDWLYFTZZDSWIL-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHVGFRATLGQNX-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBNYWDOBJBVTCE-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXROGHUXHGKIY-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIZDKFLDEDUAQU-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACZSCBIQDAZRS-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(B(O)O)cc3)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUKULQYMRSGARZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(N)cc3)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQZSRNBYWNPNH-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOFCYMVJTYLMDI-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(NS(N)(=O)=O)cc3)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKCDGPQKFMHGKF-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(NS(=O)(=O)C4CC4)cc3)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCIMVQKHGYUKU-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(c3ccc(NS(=O)(=O)N(C)C)cc3)CC2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPXKDKFGKRSWEO-GKPKSCKFSA-N", "SMILES:C=C1[C@H]2O[C@]3([C@@H](C)C(=O)O[C@H]3[C@H]1Cl)[C@@H](OC(C)=O)[C@H]1[C@]3(CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)CO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5397738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRVGVQSPVDTML-DUHBHEDDSA-N", "SMILES:CCOCC1=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@@]3(CO3)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)/C=C\\1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZWFXSYGODHJR-KJFVRJSISA-N", "SMILES:CC(=O)O[C@H]1/C=C\\C(CO)=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@@](O)(CO)CC[C@H](OC(C)=O)[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5419491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAMSTGRVXAHYDD-SIZDLAHDSA-N", "SMILES:C=C1[C@H]2O[C@]3([C@@H](C)C(=O)O[C@H]3[C@H]1Cl)[C@@H](OC(C)=O)[C@H]1[C@@]3(CO3)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5434211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTFQDOJTVVEJX-KPNVMICBSA-N", "SMILES:C=C1[C@H](Cl)[C@@H]2OC(=O)[C@H](C)[C@]23O[C@]1(O)C[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]2(CO2)[C@@H]1[C@@H]3OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJHRLAYMLHRKA-GPEVJIPJSA-N", "SMILES:C=C1[C@H](OC(=O)CC(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]3(CO3)[C@@H]2[C@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDILJZNWKHVGLR-CCCDGKERSA-N", "SMILES:C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]3(CO3)[C@@H]2[C@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4741387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHKEJRKRGQZPU-PWOPPRJBSA-N", "SMILES:C=C1/C=C\\[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)CC[C@]3(CO3)[C@@H]2[C@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5419790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMXJMFOOXBKDM-GKPKSCKFSA-N", "SMILES:C=C1[C@H]2O[C@]3([C@@H](C)C(=O)O[C@H]3[C@H]1Cl)[C@@H](OC(C)=O)[C@H]1[C@@](O)(CCl)CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5417970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIRYHAUCEMQDEQ-DTQAZKPQSA-N", "SMILES:CCCCn1c(/C=C/c2ccc(C(C)C)cc2)nc2cc(NCCCN(CC)CC)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVMDUVJXYWWGY-SAPNQHFASA-N", "SMILES:CCCCCn1c(/C=C/c2ccc(C(C)C)cc2)nc2cc(NCCCN(CC)CC)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBLYVCSLWIUJR-NTCAYCPXSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CCC(C)C)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDGDUAVIAGTDLP-NTCAYCPXSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CC3CC3)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVNHKJITQGSCMK-NTCAYCPXSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CCN(C)C)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFGLMDEICGJBR-SDNWHVSQSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CCCO)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRRHRRUKJHQHE-DTQAZKPQSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CCCOC(C)C)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNXQUKKKMQRIRE-SDNWHVSQSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CCCCl)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCWPOLWNKACPY-NTCAYCPXSA-N", "SMILES:C=C(C)Cn1c(/C=C/c2ccc(C(C)C)cc2)nc2cc(NCCCN(CC)CC)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLAGZCLTPKYKJ-JLHYYAGUSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CC#N)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKKHGCGEJFDQML-OBGWFSINSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CCc3ccccc3)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCMRSIBAIALJIV-OBGWFSINSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(Cc3ccccc3)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKAGTUPMZAGBHL-SAPNQHFASA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(Cc3ccccc3Br)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHQVYACCUJHMV-DTQAZKPQSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(Cc3cccc(Br)c3)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSBFUZGEKUIED-SFQUDFHCSA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(Cc3ccc(Br)cc3)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNNFZVIBPXQHHQ-QGOAFFKASA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(Cc3ccc(OC)cc3)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVCFIPDZYLAJV-SAPNQHFASA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(Cc3ccccc3F)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWAUQSPOVIWQL-SAPNQHFASA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(Cc3ccccc3Cl)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOXHBTQVMZDYHR-SAPNQHFASA-N", "SMILES:CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(Cc3ccccc3C(F)(F)F)c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIGFSGPGNAHCKT-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/CNC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZZRDPIQKWZQZ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXFIKCJHJBQYSX-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAJCXIZSNDNSH-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCC(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWOTXRMQNAPROQ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCC(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBEBRJUVIOOYBH-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCC(=O)NCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBJSRKBNUIZCG-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCNC(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQRPONOBJRBTQQ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXSTZVWFYCOOCQ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPIZHFSDYXJQW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMGSUJKONOAIAC-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZGNGELFQRGPMM-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCGNMHODMTNTP-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWSHLNHEATVKBJ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJAMJNYSHAIYNK-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1ccc(Cl)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIXFWLWNLQJGAI-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKZRXFKRVGAYEO-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZFAUILAGLRSDR-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)NCc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMRSJVFCHAZTQ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1NCCCC(=O)N(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDZOZORUOKFAEA-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCC3COC3)c2n1NCCCNC(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVBPVHGWPALCW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCC3CC3)c2n1NCCCNC(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMOFRJDOXDWCHN-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCOC)c2n1NCCCNC(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELXHXCQBYFSNL-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c2n1NCCCNC(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCPBRQZUCMYQMH-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCC3COC3)c2n1NCCCC(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCXDZFASSZCUCV-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCC3CC3)c2n1NCCCC(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMIIGNTAGDZHZ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCOC)c2n1NCCCC(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGJWOUVPJXGQHZ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c2n1NCCCC(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUMPILBBQGAQTK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCCCCCN3CCN(C)CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYNMHFEHJSMRU-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NC3CCN(CCc4ccccc4)CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWVZFCSPKYLCE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NC3CCN(CCCc4ccccc4)CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJAVKBWWMGELMG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)N(C)C3CCN(CCc4ccccc4)CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMSBPALRPPPUGB-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)N3CCN(CCCc4ccccc4)CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTOOGBXCZJZMCX-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)N3CCC(CCCc4ccccc4)CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNQPXKBHJFXTJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)N3CCC(NCCc4ccccc4)CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BANZNDVSMOXOEE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)N3CCC(NCCCc4ccccc4)CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDMSVKJFCUGAH-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NC3CCN(CCc4ccccc4)CC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBZRZWWWVJGAHH-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)N(C)C3CCN(CCc4ccccc4)CC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNWASZZXLCBJW-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)N3CCN(CCCc4ccccc4)CC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJPWTPFVYLOPA-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccn(-c2cccc(OC(=O)NC3CCN(CCc4ccccc4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOIODDPGMPPVSP-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccn(-c2cccc(OC(=O)N3CCN(CCCc4ccccc4)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVOSMOTYPLEQAC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cn(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHSUNDNWPYLLL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cn(-c2cccc(OC(=O)N3CCN(CCCc4ccccc4)CC3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVYSWRYSJAGQQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)c(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SACFKAQHYIPQQI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)O)c(-c2cccc(OC(=O)N3CCN(CCCc4ccccc4)CC3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOUBDOMPIMAGAJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCc1ccccc1)Oc1cccc(-c2nn[nH]n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHITROHEGMUEF-UHFFFAOYSA-N", "SMILES:O=C(Oc1cccc(-c2nn[nH]n2)c1)N1CCN(CCCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCEQLURFAJQTRC-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAZQYCGPUIHEFH-CQSZACIVSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCNC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMLXTABKIOTKS-OAHLLOKOSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(S(C)(=O)=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYQKXCJFGVZKTQ-OAHLLOKOSA-N", "SMILES:CC(=O)N1CCc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZOXPFJBBNFNDU-QGZVFWFLSA-N", "SMILES:CC(C)C(=O)N1CCc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OARIGQDQFOSERI-MRXNPFEDSA-N", "SMILES:CCC(=O)N1CCc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZQBQNHRRMSAQI-QGZVFWFLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)C(C)(C)C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVDNDVLRKPSEFP-MRXNPFEDSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)C1CC1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADRLUSHUQCCOO-QGZVFWFLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)C1CCC1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSKXZJURVJGDW-OAHLLOKOSA-N", "SMILES:COC(=O)N1CCc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXSBYNBAZTHAW-MRXNPFEDSA-N", "SMILES:CCOC(=O)N1CCc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGHEJHNYNDQGG-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLIUDUACOROKIG-LJQANCHMSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)c1ccccc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCPZHBQZFKNHH-GOSISDBHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)Cc1cccs1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZVLOZPMGFZZFE-HXUWFJFHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)Cc1ccccc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDOUZYPNUBKINL-QGZVFWFLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)CN(C)C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBYHFBVCEWIMDA-HXUWFJFHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)CN1CCN(C)CC1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXSRVSXZFOGUGO-GOSISDBHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)c1cccc(C(F)(F)F)c1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORVYUKPAARRGLF-GOSISDBHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)c1cccc(F)c1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWIQOCMKJLORQ-GOSISDBHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)c1cccc(Cl)c1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMIFWWSGDNCPLC-HXUWFJFHSA-N", "SMILES:Cc1cccc(C(=O)N2CCc3c(N4CCOC[C@H]4C)nc(-c4cccc5[nH]ccc45)nc3C2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWGRAKLYALILB-LJQANCHMSA-N", "SMILES:COc1cccc(C(=O)N2CCc3c(N4CCOC[C@H]4C)nc(-c4cccc5[nH]ccc45)nc3C2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEGQQIGWWVFEHJ-GOSISDBHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)c1ccc(F)cc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOUZCXFVJGJSK-LJQANCHMSA-N", "SMILES:COc1ccc(C(=O)N2CCc3c(N4CCOC[C@H]4C)nc(-c4cccc5[nH]ccc45)nc3C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUIXVNQJTWENSK-MRXNPFEDSA-N", "SMILES:CC(=O)N1CCc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIBTTADPSKRBX-GOSISDBHSA-N", "SMILES:CC(C)C(=O)N1CCc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZDDQDWNFSRQEX-QGZVFWFLSA-N", "SMILES:CCC(=O)N1CCc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDGPAXKECFBJK-QGZVFWFLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)C1CC1)C21CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUFAQYNENLTEPA-CQSZACIVSA-N", "SMILES:CC(=O)N1CCc2c(nc(-c3cccc4[nH]ccc34)nc2N2CCOC[C@H]2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWDMRIAZPVVAJS-MRXNPFEDSA-N", "SMILES:CC(C)C(=O)N1CCc2c(nc(-c3cccc4[nH]ccc34)nc2N2CCOC[C@H]2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQVSWAKNFYXMQ-OAHLLOKOSA-N", "SMILES:CCC(=O)N1CCc2c(nc(-c3cccc4[nH]ccc34)nc2N2CCOC[C@H]2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWQCEOGVFGOTC-OAHLLOKOSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CCN(C(=O)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXICJWMPOVVMMW-GOSISDBHSA-N", "SMILES:COc1cccc(C(=O)N2CCc3c(nc(-c4cccc5[nH]ccc45)nc3N3CCOC[C@H]3C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWSQDJKVQCJKR-GOSISDBHSA-N", "SMILES:COc1ccc(C(=O)N2CCc3c(nc(-c4cccc5[nH]ccc45)nc3N3CCOC[C@H]3C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXUZDWWSKXPGV-OAHLLOKOSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CN(C(=O)C1CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBKSERXJVAEOFF-CQSZACIVSA-N", "SMILES:CC(=O)N1Cc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNBSRWKOMIJJK-MRXNPFEDSA-N", "SMILES:CC(C)C(=O)N1Cc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUGJBNTVUCABPZ-OAHLLOKOSA-N", "SMILES:CCC(=O)N1Cc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGIOAGKDCFXCOV-MRXNPFEDSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CN(C(=O)C(C)(C)C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDVCJXJOWLGTCR-OAHLLOKOSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CN(C(=O)C1CC1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJPWLUNJTZBIM-MRXNPFEDSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CN(C(=O)C1CCC1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWPQCBJATWUCQZ-GOSISDBHSA-N", "SMILES:COc1cccc(C(=O)N2Cc3c(N4CCOC[C@H]4C)nc(-c4cccc5[nH]ccc45)nc3C2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHCNFLHZWBCTOU-GOSISDBHSA-N", "SMILES:COc1ccc(C(=O)N2Cc3c(N4CCOC[C@H]4C)nc(-c4cccc5[nH]ccc45)nc3C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEAXCQKMIYWAOR-GOSISDBHSA-N", "SMILES:COc1ccc(C(=O)N2Cc3c(N4CCOC[C@H]4C)nc(-c4cccc5[nH]ccc45)nc3C2(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQZUFYFFZFTDZ-GOSISDBHSA-N", "SMILES:COc1cc(C(=O)N2Cc3c(N4CCOC[C@H]4C)nc(-c4cccc5[nH]ccc45)nc3C2(C)C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZAHAAVYSHLCP-QGZVFWFLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CN(C(=O)c1ccc3c(c1)OCO3)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQIIYYJVYOVLX-GOSISDBHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CN(C(=O)c1ccc3c(c1)OCCO3)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBIDWGGFBGKAJ-GOSISDBHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CN(C(=O)c1ccc(S(C)(=O)=O)cc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHMVKNMSWRHJH-GOSISDBHSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USJQLFGQLDPMGK-QGZVFWFLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CN(C(=O)c1ccc(OC(F)F)cc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZFINQPEJKIKA-QGZVFWFLSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1CN(C(=O)c1ccc(OC(F)(F)F)cc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZFDHMIAZFVDSP-GOSISDBHSA-N", "SMILES:CC(=O)c1ccc(C(=O)N2Cc3c(N4CCOC[C@H]4C)nc(-c4cccc5[nH]ccc45)nc3C2(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMITUZURKAHTI-GOSISDBHSA-N", "SMILES:CC(=O)c1cccc(C(=O)N2Cc3c(N4CCOC[C@H]4C)nc(-c4cccc5[nH]ccc45)nc3C2(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOYFPWYKYQIGA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYTJZFKTUQYXEN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OS(=O)(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXLLGJJXOHBLG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCSUWOZFWWBYSX-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCCOP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYSZXCAYLBWSB-UHFFFAOYSA-N", "SMILES:O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCNC(=O)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOPWOPNQENKHSR-IBGZPJMESA-N", "SMILES:CNC(=O)[C@H](CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)NC(=O)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHRCDZRDGBMWFM-UHFFFAOYSA-N", "SMILES:Cc1cc(OCC(=O)NCCNC(=O)c2cccc(COc3ccccc3C(N)=O)c2)c2c3c(c(=O)oc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZGWWVYUSYCCAG-VWLOTQADSA-N", "SMILES:CNC(=O)[C@H](CNC(=O)c1cccc(COc2ccccc2C(N)=O)c1)NC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLFHJZNEXHVCCH-UHFFFAOYSA-N", "SMILES:Cc1cnc(C(=O)NCCNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVXBPTQYXDNWBD-HNNXBMFYSA-N", "SMILES:CNC(=O)[C@H](CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NC(=O)c1cnc(C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTVRWGQKKALHX-UHFFFAOYSA-N", "SMILES:O=C(NCCNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(CN2C(=O)CNC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMPUVOCVCTFQB-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)NC(=O)C2CC(=O)NCCNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYYIGVGROMSOX-INIZCTEOSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)NCCNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPOWJQTBJCBBK-HNNXBMFYSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)NCCNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRURROHHOQFAS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(CC(=O)NCCNC(=O)CCn1c(=O)[nH]c(=O)c3ccccc31)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BICBEWYEEOEYFU-UHFFFAOYSA-N", "SMILES:O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)N1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHSUWPPZBBHBY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1nc2ccccc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJYXJWUNHBYLIW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(N)=O)cc1NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4920814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZWYYVUEVCWVAI-UHFFFAOYSA-N", "SMILES:O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(-n2cnnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEAGBEZNGKUGFS-RHYIPFRBSA-N", "SMILES:O=C1N(Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)[C@]3(O[C@]12O)C(=O)Nc1ccccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZUDDPLROXLPIB-JXCSDODESA-N", "SMILES:COc1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)C(=O)[C@@]3(O)O[C@]23C(=O)Nc2ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFIWBKNZKJZXCR-WFHHURNRSA-N", "SMILES:O=C1N(Cc2ccccc2)C[C@@H]2[C@@H](c3cccs3)[C@]3(O[C@]12O)C(=O)Nc1ccccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWMOJRKVTGVQRC-LWDBSWEGSA-N", "SMILES:O=C1N(Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]3(O[C@]12O)C(=O)Nc1ccccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAJPNWCYAVHMD-LWDBSWEGSA-N", "SMILES:O=C1N(Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@]3(O[C@]12O)C(=O)Nc1ccccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHUSYFOEOGEQK-PHPOKGTFSA-N", "SMILES:Cc1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)C(=O)[C@@]3(O)O[C@]23C(=O)Nc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVHXKOXUIWQJQ-PGKHYZQDSA-N", "SMILES:O=C1N(Cc2ccccc2)C[C@@H]2[C@@H](c3ccc4ccccc4c3)[C@]3(O[C@]12O)C(=O)Nc1ccccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNYQQRFJJNTBQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2ccc(N3CCNCC3)cc2)cc(C(=O)NCc2c(CC)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CANBMWXJDLUDFF-GZTJUZNOSA-N", "SMILES:Cc1ccc(/N=C2\\CC(=O)c3sc(C)nc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL580421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQXWJQSUXZVIP-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHRCVZJKZJGIHQ-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANJWIVLLOAGEG-CMKWXQENSA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC(CCCNC(=N)CCl)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJZSDMKKDTNHZ-VOTSOKGWSA-N", "SMILES:COc1cccc(/C=C/[N+](=O)[O-])c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIFBVYLHLLTNLI-KAMYIIQDSA-N", "SMILES:O=[N+]([O-])/C(=C\\c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVGDWGHPYVXRFO-UHFFFAOYSA-N", "SMILES:O=C1NC(O)(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)=C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJQUUFVUXXBNKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3sc(-c4ccc(Br)cc4Br)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGKJQWSKWVWPGJ-HJHGLYDVSA-N", "SMILES:CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/C(C)=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXENWKUSJGYYMR-GYHPOREXSA-N", "SMILES:CC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYIWICVOQQVJPA-OIPGFMIKSA-N", "SMILES:CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/C(C)=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKKWIQMBAQCJI-DGNNDOOHSA-N", "SMILES:CC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYWDUZMPZHOKKQ-UCNVUYJDSA-N", "SMILES:CC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFHDKPIYROJEMW-VDWVSCKXSA-N", "SMILES:CC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUCSAZVIWRNMI-HJHGLYDVSA-N", "SMILES:COC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKKVGZAKSLJESG-XLMOWYLCSA-N", "SMILES:COC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHHHIFZOMXGAV-IZZDOVSWSA-N", "SMILES:CN1c2ccc(NCc3ccc(/C=C/C(=O)NO)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIQNHCUJXLAVPK-UHFFFAOYSA-N", "SMILES:CN1c2ccc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROINLDWZNWCWJK-ZYIHSGTPSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCNC(=O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDRHAKKUUAJFHB-YCDNTZAYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCOCCOCCOCCNC(=O)[C@]4(Cc5cccc(Nc6nccs6)n5)CC[C@@H](Oc5cccc(Cl)c5F)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBQKMXLASKZBHO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEOEBIOSKPFGP-XMMPIXPASA-N", "SMILES:COc1ccccc1COc1ccc(NC(=O)[C@H]2c3ccc(ON)nc3CCN2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZJDQSAYFWASCA-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1cncc(-c2ccc(OC(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCGCHQRJQDBPX-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1cncc(-c2ccc(CN3CCOCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFWZNDGBUZCPC-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cncc(-c2cccc(NS(=O)(=O)c3ccccc3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJKXTYBYMIJAB-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cncc(-c2cccc(NC(=O)N3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFMYJCOJEZJZBF-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cncc(-c2ccc(NC(=O)N3CCOCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZORMJDWIQIXVFF-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cncc(-c2cccc(NC(=O)C(C)C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNRIGSGMSAWTH-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1cncc(-c2cccc(NS(=O)(=O)N(C)C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVCPWPJKZAFTF-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cncc(-c2cccc(NS(=O)(=O)N(C)C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJQAZXRAXHSARJ-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cncc(-c2cccc(NS(=O)(=O)c3cccs3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZIVNKVMNYZMJB-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cncc(-c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROCOETXXIYNORP-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cncc(-c2cccc(NS(=O)(=O)C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAMGRUFNSGCKSP-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1cncc(-c2cccc(NS(=O)(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQJSBULUVBOUQS-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1cncc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIKTYCHSCYQBD-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cncc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNXDVGCKHRAHX-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cncc(-c2cccc(NS(=O)(=O)C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNTUACQHMAOPMF-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1cc(-c2ccc(NS(=O)(=O)C3CC3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULUAWJNFRASOAL-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccnc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJKAZSBYFYGBEE-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccncc1-c1ccc(NS(=O)(=O)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATQKAKJOWCTGSU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C#Cc1cnc(Nc2ccc(C#N)cc2)nc1Oc1c(C)cc(C#N)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQMKBIJKLVKGQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C#CC(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLYYTXXQCPWDMM-UHFFFAOYSA-N", "SMILES:COCCNC(=O)C#Cc1cnc(Nc2ccc(C#N)cc2)nc1Oc1c(C)cc(C#N)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROIBJOHEFFPIQL-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCC(NC(=O)C#Cc2cnc(Nc3ccc(C#N)cc3)nc2Oc2c(C)cc(C#N)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBNQJYWYWYKKE-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C)nn(C)c2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJQOUHKFHLULA-UHFFFAOYSA-N", "SMILES:CCc1nn(C)c(=O)n1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCWAVNNCSAPHGB-UHFFFAOYSA-N", "SMILES:CCc1nn(C)c(=O)n1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZTKRNLHQILTCX-UHFFFAOYSA-N", "SMILES:CCn1nc(C)n(-c2ccc3c(c2)OCO3)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTHTDILLWSFDQ-UHFFFAOYSA-N", "SMILES:CCc1nn(C)c(=O)n1-c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFFFOOKUSYTXLX-UHFFFAOYSA-N", "SMILES:CCn1nc(C)n(-c2ccc(F)c(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVUSFJNLVCIEAW-UHFFFAOYSA-N", "SMILES:CCc1nn(CC)c(=O)n1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMOFLRNAQPQAAN-UHFFFAOYSA-N", "SMILES:CCn1nc(C)n(-c2ccc(OC)c(OC)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJMSGSXYRUGDD-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(=O)n1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIVVJVCKDAXYLK-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(NCCO)nc3c2c(=O)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOYBEYHSCSMIL-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(NCCCO)nc3c2c(=O)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSCJABPIBMTZTO-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(NCCCCO)nc3c2c(=O)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBAYBGETRRQMR-NSHDSACASA-N", "SMILES:COc1cccc(Cn2c(N[C@@H](C)CO)nc3c2c(=O)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGKHBCZFSOUDSM-LLVKDONJSA-N", "SMILES:COc1cccc(Cn2c(NC[C@@H](C)O)nc3c2c(=O)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGKHBCZFSOUDSM-NSHDSACASA-N", "SMILES:COc1cccc(Cn2c(NC[C@H](C)O)nc3c2c(=O)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNMPASCLGGSKE-UHFFFAOYSA-N", "SMILES:COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWJKAVDTOHTHGU-UHFFFAOYSA-N", "SMILES:COC(=O)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWNFNKWABDDERF-UHFFFAOYSA-N", "SMILES:COC(=O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCXDRSYAIBQZIE-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(NCC(N)=O)nc3c2c(=O)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWHQCIXEJMEGKP-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2ccccc2)n(C)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5420177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSMRBMQUPGIIB-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(NCCO)nc3c2c(=O)n(C)c(=O)n3C)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5401231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTANVSLSVMJGMO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2cccc(OC(F)(F)F)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSCHLGBCYSJNHE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1c(NCCO)nc2c1c(=O)n(C)c(=O)n2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5427297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJXCENPNGBNJCT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2cccc(F)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFVNXNWHISGYLD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2ccc(F)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYMUCNXRVZQVTH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2ccc(Cl)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBHRLXWRPDPFP-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2ccccc2Br)n(C)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5406574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSDCUXBMFJMAT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2ccc(F)cc2F)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCBFEQJZJBJRL-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2cc(F)cc(F)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYAAKJJWQUYOLT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2cc(F)ccc2F)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFLDKTWRQMSQZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2c(F)cccc2F)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWKWCCDYSHPMZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2cccc(Cl)c2F)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRELYNIGKWYOJL-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2Cc2ccc(F)c(C(F)(F)F)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBBKFMSYNLPSOI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCO)n2CC(=O)c2ccccc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMQAHKGWMLPCY-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1c[nH]c2c(O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQVZTVXJSQDBH-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1c[nH]c2c(OC(=O)N(C)C)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFFSANHYPZSAW-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXNGJDFXPHWOA-UHFFFAOYSA-N", "SMILES:CC(C)N(C)C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFCAAEQXMGKTFX-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1c[nH]c2c(OC(=O)N(C)C(C)(C)C)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWXRMJFBBWGBU-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1c[nH]c2c(OC(=O)N(C)Cc3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKDAAYTNXQGJV-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKXFQHMUKASRBY-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPZXTEAEXAJKLC-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1c[nH]c2c(OC(=O)N3CCCCC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRQPYUZDNIDAKI-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1c[nH]c2c(OC(=O)N3CCOCC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEJXTBVWONFFU-UHFFFAOYSA-N", "SMILES:C#CCN(C)C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRGVFCJQZHOVEJ-UHFFFAOYSA-N", "SMILES:C#CCCCN(C)C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBCFWNSQCHPTI-UHFFFAOYSA-N", "SMILES:C#CCCCCCCCCCN(C)C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYFYERZCXQBRAD-UHFFFAOYSA-N", "SMILES:C#CCN(CC)C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGWTTBRRFFMLN-UHFFFAOYSA-N", "SMILES:C#CCN(CC#C)C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIKGEKRGGHCMZ-UHFFFAOYSA-N", "SMILES:C#CCN(C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOWRMCVCDHGIZ-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)Oc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHOQFQNZGOWBHS-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1c[nH]c2c(OC(=O)N(C)N(C)C)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMWARYCMQGOOCM-UHFFFAOYSA-N", "SMILES:CN(CCC1CCCCCC1)Cc1c[nH]c2cc(OC(=O)N(C)C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMQUJNDYPKKMT-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)Oc1ccc2c(CN(C)CCC3CCCCCC3)c[nH]c2c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIMYNAVDKFZSJY-UHFFFAOYSA-N", "SMILES:C#CCN(C)C(=O)Oc1ccc2c(CN(C)CCC3CCCCCC3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJSDMQWHGGYPGS-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1cccc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHTBSUOSZFYNDH-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1cccc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTSZLZGQDWWHJ-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)Oc1cccc2cc[nH]c12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUIQWCOSDTUPKY-UHFFFAOYSA-N", "SMILES:O=C(Oc1cccc2cc[nH]c12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTRGPBISOZJVME-JLHYYAGUSA-N", "SMILES:O=C1/C(=C/c2ccccc2O)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL126625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOMQCAGVJQMEO-KPKJPENVSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(O)c2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNZUBBXBHDMQK-MDWZMJQESA-N", "SMILES:COc1ccc(/C=C2\\Cc3ccccc3C2=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPFRZPCIAPKTP-FMIVXFBMSA-N", "SMILES:O=C1/C(=C/c2cccc(O)c2O)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMKPOGCNIBWIZ-KPKJPENVSA-N", "SMILES:COc1ccc2c(c1)C/C(=C\\c1cccc(O)c1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VINVMJMYPLNQCK-NTUHNPAUSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJOKEWZSBSEAS-XYOKQWHBSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/c1cccc(O)c1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLPXDPVWAKOEQ-RVDMUPIBSA-N", "SMILES:COc1ccc2c(c1)CC/C(=C\\c1ccccc1)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5433839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GREZWSUITANWEN-XNTDXEJSSA-N", "SMILES:Cc1ccc(/C=C2\\CCc3cc(O)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCPZBJHECPIRCW-GXDHUFHOSA-N", "SMILES:COc1ccc(/C=C2\\CCc3cc(O)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSVUZVXXAPRPO-MDWZMJQESA-N", "SMILES:O=C1/C(=C/c2cccc(O)c2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNWZTPBJBYNCF-MDWZMJQESA-N", "SMILES:COc1cc(/C=C2\\CCc3cc(O)ccc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KORCTUWODUQVTH-UKTHLTGXSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNQKHYUCVQRFP-OQLLNIDSSA-N", "SMILES:N#Cc1ccc(/C=C2\\CCc3cc(O)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXYEGLOBGVAHQ-RVDMUPIBSA-N", "SMILES:CN(C)c1ccc(/C=C2\\CCc3cc(O)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDALHVANDWLREZ-GZTJUZNOSA-N", "SMILES:CC(C)c1ccc(/C=C2\\CCc3cc(O)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1965529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRJMKMQJTLCMRQ-SDNWHVSQSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPPNGOCBEIBIFH-GXDHUFHOSA-N", "SMILES:O=C1/C(=C/c2cccc(O)c2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOZMBCNKAFJLBH-SDNWHVSQSA-N", "SMILES:O=C1/C(=C/c2ccccc2O)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSOBONMEYIMXOS-UKTHLTGXSA-N", "SMILES:O=C1/C(=C/c2ccccc2O)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL426432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQNOKJZNMHDSFF-GXDHUFHOSA-N", "SMILES:COc1ccc2c(c1)CC/C(=C\\c1ccc(O)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOIJNIIJBGOSRE-RIYZIHGNSA-N", "SMILES:COc1cc(/C=C2\\CCc3cc(O)ccc3C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQOMXMVZYWYQDE-NTUHNPAUSA-N", "SMILES:O=C1/C(=C/c2ccc3c(c2)OCO3)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOCORYAUSVYEGN-MDWZMJQESA-N", "SMILES:COc1ccc2c(c1)CC/C(=C\\c1ccc(O)c(O)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2005135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHRBLBVVQILNGN-GXDHUFHOSA-N", "SMILES:COc1cc(/C=C2\\CCc3ccccc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZNKMADQZLVMC-NTEUORMPSA-N", "SMILES:COc1ccc2c(c1)CC/C(=C\\c1ccc(O)c(OC)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGMCZDLJOISNK-NTUHNPAUSA-N", "SMILES:O=C1/C(=C/c2cc(O)cc(O)c2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL328217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMJQCRYAFOMMKI-GXDHUFHOSA-N", "SMILES:COc1ccc2c(c1)CC/C(=C\\c1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSURPOBTVZYLSS-NTEUORMPSA-N", "SMILES:COc1ccc2c(c1)CC/C(=C\\c1cccnc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GREPVYRCRFOVQU-PKNBQFBNSA-N", "SMILES:O=C1/C(=C/c2cccs2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRLHGIKUPLHQFS-PKNBQFBNSA-N", "SMILES:O=C1/C(=C/c2ccco2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFWBNQRPFINQB-DHZHZOJOSA-N", "SMILES:O=C1/C(=C/c2ccc[nH]2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRBPELSAWVWTL-UKTHLTGXSA-N", "SMILES:O=C1/C(=C/c2c[nH]c3ccccc23)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLYUVRHDFZRPO-MDWZMJQESA-N", "SMILES:O=C1/C(=C/c2cccnc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5184996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZCZSPTTZWOSS-FMIVXFBMSA-N", "SMILES:O=C1/C(=C/c2ccccn2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIAHZTNAMGZBOB-XDJHFCHBSA-N", "SMILES:CCN(CC)CCOc1ccc(/C=C2\\CCc3cc(O)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYBFRLUYUPSMGO-DUEVJXGLSA-N", "SMILES:O=C1/C(=C/C=C/c2ccccc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1383041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGIWYGQQJWVST-FMIVXFBMSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2408880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFSMHMWZICDBF-XYOKQWHBSA-N", "SMILES:O=C1/C(=C/c2ccccc2)COc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFKSHWAQPOKQP-YRNVUSSQSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)COc2cc(O)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5435908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKDFRBEPRRAKA-FMIVXFBMSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)CSc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEZMBUBXIMXMSU-FMIVXFBMSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSPHWFZBBXCYSD-NTCAYCPXSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZFPEYQKSLVXMN-LFIBNONCSA-N", "SMILES:COc1ccc2c(c1)CC/C(=C\\c1ccc(C)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMWAQAUSFALLBD-RIYZIHGNSA-N", "SMILES:COc1cc(/C=C2\\CCc3cc(OC)c(OC)cc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYLNHGYZFTSHE-IIMWHLQWSA-N", "SMILES:Cl.OC[C@H]1N[C@H](CCCCCCCc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYLNHGYZFTSHE-YPFLJBJZSA-N", "SMILES:Cl.OC[C@@H]1N[C@@H](CCCCCCCc2ccccc2)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIIZXIOPWPQLLJ-JOCBIADPSA-N", "SMILES:O=C1CCCC=C1CCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5437870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFBWGFYPXOEKF-BRSBDYLESA-N", "SMILES:OC[C@H]1N[C@H](CCCCCCCc2ccccc2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUGFAVXMNKBGG-LALYEXAHSA-N", "SMILES:Cc1ccc(CCCCCCC[C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLEGSFHNZYMWHR-VGPSFVGCSA-N", "SMILES:CC(C)(C)c1ccc(CCCCCCC[C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPXZIWIKUJOOE-URRBJENISA-N", "SMILES:Cl.OC[C@H]1N[C@H](CCCCCCCc2ccc(Cl)cc2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJGJIHZHWWWJHR-URRBJENISA-N", "SMILES:Cl.OC[C@H]1N[C@H](CCCCCCCc2ccc(F)cc2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZCFIYCXPGPYDU-RGAHYSJHSA-N", "SMILES:Cl.OC[C@H]1N[C@H](CCCCCCCc2ccc(F)c(F)c2F)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYISDBKWAFSWLU-URRBJENISA-N", "SMILES:Cl.OC[C@H]1N[C@H](CCCCCCCc2cccc(F)c2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTKNOYNNCJQFV-HICYURJWSA-N", "SMILES:Cc1ccc(CCCCCC[C@@H](O)[C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBIOQPMLBIHWLG-QUNQLILTSA-N", "SMILES:CC(C)(C)c1ccc(CCCCCC[C@@H](O)[C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFUMECMIORBCA-GHNBURODSA-N", "SMILES:Cl.OC[C@H]1N[C@H]([C@H](O)CCCCCCc2ccc(Cl)cc2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSXPMVUJNGQVOR-GHNBURODSA-N", "SMILES:Cl.OC[C@H]1N[C@H]([C@H](O)CCCCCCc2ccc(F)cc2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIIJENWPAHJRA-GHNBURODSA-N", "SMILES:Cl.OC[C@H]1N[C@H]([C@H](O)CCCCCCc2ccc(F)c(F)c2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZAAEJTUSBXBL-JYVUFNORSA-N", "SMILES:Cl.OC[C@H]1N[C@H]([C@@H](O)CCCCCCc2ccccc2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBIOQPMLBIHWLG-VJTJKKPBSA-N", "SMILES:CC(C)(C)c1ccc(CCCCCC[C@H](O)[C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFUMECMIORBCA-JYVUFNORSA-N", "SMILES:Cl.OC[C@H]1N[C@H]([C@@H](O)CCCCCCc2ccc(Cl)cc2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSXPMVUJNGQVOR-JYVUFNORSA-N", "SMILES:Cl.OC[C@H]1N[C@H]([C@@H](O)CCCCCCc2ccc(F)cc2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIIJENWPAHJRA-JYVUFNORSA-N", "SMILES:Cl.OC[C@H]1N[C@H]([C@@H](O)CCCCCCc2ccc(F)c(F)c2)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIIJENWPAHJRA-HGIJKBOGSA-N", "SMILES:Cl.OC[C@@H]1N[C@@H]([C@@H](O)CCCCCCc2ccc(F)c(F)c2)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKIPYJGYNOGTCD-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)CC(=O)n1nc(-c2cc3ccccc3oc2=O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQUEZGHEJGPJB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXGAPNPGJLBAIF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSQVYZBDXIXCC-INIZCTEOSA-N", "SMILES:Cc1oc2nc1-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)C1=N[C@@H](CS1)c1nc-2c(C)o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL158083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRWGYMXWYZBBGF-UHFFFAOYSA-M", "SMILES:COS(=O)(=O)[O-].Cc1cc2c3c([n+](C)c4ccc(F)cc4c3c1)-c1cc(F)ccc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEWCAEKULDYSMW-UHFFFAOYSA-N", "SMILES:c1c[nH]c(CCNc2nc(NCCc3ncc[nH]3)nc(NCCc3ncc[nH]3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOKBLPTJVMTAU-UHFFFAOYSA-N", "SMILES:O=c1ccsn1-c1cccc(C(F)(F)F)c1"]}
{"name": "Telomerase reverse transcriptase", "xref": ["CHEMBL.TARGET:CHEMBL3108654"], "id": "UniProtKB:Q673L6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUFAORPFSVMJIW-ZRJUGLEFSA-N", "SMILES:COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NCCCCCCN3C(=O)C=CC3=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLJEOLVIJKZFN-GQWAEJPESA-N", "SMILES:C=C1C(=O)[C@](C)(C(=O)OC)[C@@H](CCc2ccc(NCC(=O)O)cc2)O[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKSFNFQUWKYKGJ-NNUDPEKTSA-N", "SMILES:CC(=O)OC1=C(c2ccc(O)cc2)Oc2cc(OCc3cn([C@@H]4OC[C@H](OC=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)cc(OC(C)=O)c2C1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLSOCSLYQYSNW-VAWYXSNFSA-N", "SMILES:COc1cc(OC)c2c(=O)c(OCC(=O)Nc3nnc(/C=C/c4ccccc4)o3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLZFNFXVGCTDLL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(-c3nc4ccc(OC)cc4[nH]3)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL605300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVNJBPMQWSIGJK-HNNXBMFYSA-N", "SMILES:COC(=O)C1=C(C)NC(c2ncc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMEIMTHKRVPONN-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(CC3COC4(CCCCC4)O3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBAJQMFEBGHQTH-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(CC3CSC4(CCCCC4)O3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBSDZLTDAZSCG-UHFFFAOYSA-N", "SMILES:CC1(C)SCC(CN2CCC(Cc3ccccc3)CC2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBCMFLMLQEJBU-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(CC3CSCS3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYAYYLOURGPYSV-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(CCCSC3CCCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAWPZHUJSZYAER-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(CCCOC3CCCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATJBEYRDBSUSN-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(CCSc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL102659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRBKFQYSVXXYDE-UHFFFAOYSA-N", "SMILES:c1ccc(CC2CCN(CCOc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYQYIAABUPJFF-UHFFFAOYSA-N", "SMILES:c1ccc(CC2CCN(CCCOc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSROCSXWXZWPV-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2ccc(F)cc2)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYRWFWPSDKKHL-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2ccc(Cl)cc2)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWNUJADTOHDQY-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2ccc(F)c(F)c2)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGFNCEKYJBWOKS-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBJOIQKNRLLUTE-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2ccc(F)c(Cl)c2)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FURCUGAFSIGTKL-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2ccccc2)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIGVCJGTQQBLFV-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2ccccc2F)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMNLKUOKKVYBC-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2ccccc2Cl)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOUSPSDFWVMFKT-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2cccc(F)c2)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGZXBNDMXZEFEX-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2cccc(Cl)c2)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSUOIPKFWMPZPB-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRMOYYTWJWDSPW-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc(CNc3ccccc3)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMKTVVSOTVKRHC-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc(CNc3ccccc3)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APJBJZZDDRKAOR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(COc2ccc(CNc3ccccc3)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJXPTDFEZCJBI-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQCWFWCPJGTTH-UHFFFAOYSA-N", "SMILES:Oc1cc(OCc2ccc(F)cc2)ccc1CNc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZZBWHFPUSSOMY-UHFFFAOYSA-N", "SMILES:Oc1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFBRKWRVAGAHZ-NRFANRHFSA-N", "SMILES:Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVOYSHXLFJIUOC-QFIPXVFZSA-N", "SMILES:Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZXWFMLZEVIDQU-QFIPXVFZSA-N", "SMILES:Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)Nc1ccc(CC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTBGPXTJPTFJR-IGVGMEOHSA-N", "SMILES:Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)Nc1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPYASWRPWFANF-QFIPXVFZSA-N", "SMILES:Cc1ccc(C2=N[C@@H](CC(=O)Nc3ccc(C(=O)NO)cc3)c3nnc(C)n3-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIMOBTKKLINORJ-QHCPKHFHSA-N", "SMILES:Cc1ccc(C2=N[C@@H](CC(=O)NCc3ccc(C(=O)NO)cc3)c3nnc(C)n3-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZQIAHZRFVNHM-QHCPKHFHSA-N", "SMILES:Cc1ccc(C2=N[C@@H](CC(=O)Nc3ccc(CC(=O)NO)cc3)c3nnc(C)n3-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFIRPVUAKTSBJ-VLSFKVKESA-N", "SMILES:Cc1ccc(C2=N[C@@H](CC(=O)Nc3ccc(/C=C/C(=O)NO)cc3)c3nnc(C)n3-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBOACJWFOVVDX-NRFANRHFSA-N", "SMILES:Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHOLWVUDKEUNX-QFIPXVFZSA-N", "SMILES:Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIQMRSHVDNLQJ-QFIPXVFZSA-N", "SMILES:Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)Nc1ccc(CC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSYBTCHWZOWTNC-XAYULXIRSA-N", "SMILES:Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)Nc1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJQUDMIVACPSG-QFIPXVFZSA-N", "SMILES:Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=N[C@H]2CC(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQPVHRSSBINPU-QFIPXVFZSA-N", "SMILES:Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=N[C@H]2CC(=O)Nc1ccc(CC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKAMTKNMOBTRGF-NWMLYGLHSA-N", "SMILES:Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=N[C@H]2CC(=O)Nc1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUMLRNZRMHNDNB-NRFANRHFSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)Nc1ccc(C(=O)NO)cc1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZIBPOTOMIFCD-QFIPXVFZSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)NCc1ccc(C(=O)NO)cc1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQAGCFFUQCPFPC-QFIPXVFZSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)Nc1ccc(CC(=O)NO)cc1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJKRSGXXQKVRV-XAYULXIRSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)Nc1ccc(/C=C/C(=O)NO)cc1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEIMVHHFMFOHPQ-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c12"]}
{"name": "Undecaprenyl-diphosphatase", "xref": ["CHEMBL.TARGET:CHEMBL4295581"], "id": "UniProtKB:P60932", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JANUHVZDGGWLEB-FBMGVBCBSA-N", "SMILES:CC(C)=CCC/C(C)=C/C(C)(C)NCCNC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSJOZSZOMSCBFP-QGMBQPNBSA-N", "SMILES:CC(C)=CCC/C(C)=C/CCNCCNC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBJWTFXNMFIAG-QGMBQPNBSA-N", "SMILES:CC(C)=CCC/C(C)=C/CCNCCNC1C2CC3CC1CC(F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISSLLIUQXRMEIL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCNCCNC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1087059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGCOZRKJDNMJOE-UHFFFAOYSA-N", "SMILES:CC(C)CCCC(C)CCNCCNC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFPRNRSNLQWLT-REZTVBANSA-N", "SMILES:CC(C)=CCC/C(C)=C/CNCCOC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVZPGVBNMYKFPJ-REZTVBANSA-N", "SMILES:CC(C)=CCC/C(C)=C/COCCNC1C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUSXRAZQYPJDMX-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNZLTHXUQPCKNT-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLCKDTSQLSUQKQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(Cc1ccc(S(N)(=O)=O)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKRUGAQPOLFZBE-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(Cc1ccc(C(N)=O)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZLQGYCIRLENG-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(Cc1ccc(S(C)(=O)=O)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHDFQLTHCWXED-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(Cc1ccc(B(O)O)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPOLHNUBRINGRU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCc3nc(Nc4ccc(C#N)cc4)nc(Oc4c(C)cc(C#N)cc4C)c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEPOVJFHCMCOET-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(C(=O)c1ccc(F)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNTDYNNFKKUZQP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(C(=O)c1cccc(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSOJHGNUJICLJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZPGKYXCBDFKC-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(C(=O)c1cccc(C(F)(F)F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZDLVVWMDFKQZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFKJPKVKXCBFFK-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHHGDKGEJGIJR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCc3nc(Nc4ccc(C#N)cc4)nc(Oc4c(C)cc(C#N)cc4C)c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGNGSIROXDJSD-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)N2CCc3nc(Nc4ccc(C#N)cc4)nc(Oc4c(C)cc(C#N)cc4C)c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCFAMOZOVOCFKX-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(C(=O)c1ccc(C#N)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JESVDBUPSIRPFE-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(C(=O)c1cccc(C#N)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKTIJPXYOJEEDH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C(=O)N2CCc3nc(Nc4ccc(C#N)cc4)nc(Oc4c(C)cc(C#N)cc4C)c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASQDMWKVZNHGDO-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1CN(S(=O)(=O)N(C)C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHCKKJIZCQNBW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2nc(Nc3ccc(C#N)cc3)nc(Oc3c(C)cc(C#N)cc3C)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RISPNOHMAQRTSD-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCc2nc(Nc3ccc(C#N)cc3)nc(Oc3c(C)cc(C#N)cc3C)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURLJEVIKCRAAI-JHJVBQTASA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLZUOZINRJPKSK-MGPQQGTHSA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNBLQAJWVCYXDM-RBSFLKMASA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNXCVDXVFRQFK-BZUAXINKSA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZSMJIOUDNLQOH-BRWVUGGUSA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORXTDSJOOFVRB-IWSPIJDZSA-N", "SMILES:CCCCN1C[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNUQGLQNLIKWHQ-IJLUTSLNSA-N", "SMILES:CCCCCCCN1C[C@@H](O)[C@H](O)[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNBLQAJWVCYXDM-KKUMJFAQSA-N", "SMILES:OC[C@H]1[C@H](O)[C@@H](O)CN1CCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORXTDSJOOFVRB-CIUDSAMLSA-N", "SMILES:CCCCN1C[C@H](O)[C@@H](O)[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNUQGLQNLIKWHQ-SRVKXCTJSA-N", "SMILES:CCCCCCCN1C[C@H](O)[C@@H](O)[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1641743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCDSIQDIBIMCV-BJDJZHNGSA-N", "SMILES:CCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURLJEVIKCRAAI-AVGNSLFASA-N", "SMILES:OC[C@H]1[C@H](O)[C@@H](O)CN1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUCLMJFNPCGLW-BZUAXINKSA-N", "SMILES:Cc1ccc(CCCCN2C[C@@H](O)[C@H](O)[C@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOBZZMYDUEVSV-BZUAXINKSA-N", "SMILES:COc1ccc(CCCCN2C[C@@H](O)[C@H](O)[C@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCGIRWNHQHMDFO-RBSFLKMASA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJLRMKGCWJMNBY-RBSFLKMASA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOZPGRMSCMNPFA-RBSFLKMASA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZFYCUKPGYWRQB-RBSFLKMASA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUIIKCVXDUPZBI-RBSFLKMASA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKVZPONETCZZBP-BPLDGKMQSA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUAIBQXLWIFZEG-RBSFLKMASA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLXYHPXTJDPBM-RBSFLKMASA-N", "SMILES:OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNMFQOZYLNHJP-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nccc(-c3cnn(CCC#N)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYUZMRQDNWEZOD-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cnn(C)c2)nc1-c1cnn(CCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHEVQARANJPCFT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(-c3cnn(CCC#N)c3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHTVGRLZQWFMBU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(-c3cnn(CCC#N)c3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVPQCNUCJXTQP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(-c3cnn(CCC#N)c3)c(Cl)cn2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXELAYINOQAWIB-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccccc2)nc1-c1cnn(CCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDHFSJKBCCIERR-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC2CCOCC2)nc1-c1cnn(CCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHODIQMOCATOE-UHFFFAOYSA-N", "SMILES:Cc1cnc(NCCN2CCOCC2)nc1-c1cnn(CCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJETWLQSXDSPMC-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cnn(CCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECLDOGRGZCTSE-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1-c1cnn(CCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEQOESZUGZISHK-GOSISDBHSA-N", "SMILES:Cc1cnc(Nc2cnn(C)c2)nc1-c1cnn([C@H](CC#N)C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPWFQPHRAFDGC-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cnn(C)c2)nc1N1CC2CCCC(C1)N2CCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGBYAYCYPVFDTM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC(CC#N)(N4CCN(C)CC4)C3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRUFBZGMCKTNQR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CCN(CC#N)CC3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYGJLKBTKVKZQE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CCC(CC#N)CC3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCVFSSCAPZAJP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CCN(CC#N)C(C)C3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCVFSSCAPZAJP-ZDUSSCGKSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CCN(CC#N)[C@@H](C)C3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFYDBBVZKANMEX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC4CCC(C3)N4CC#N)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGPDJSYAEGUOSO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC4CCC(C3)N4CCC#N)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIAOPVOJTUSVEB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC4CCCC(C3)N4CC#N)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKBUWYXXKDGHW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC4CCCC(C3)N4CCC#N)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJSPNPQPSXXBH-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cnn(C)c2)nc1N1CC2CCCC(C1)N2CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPLILRWPQMYES-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC(CCC#N)C3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGBAGWYVESAQAG-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC(CC#N)C3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJLUYTVEVSZLJP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC(C4CC4)C3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYYRUOOCJNTWHJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC(O)(C4CC4)C3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHBWHSCISDHNCC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC(CC#N)(OC4CC5(CC5)C4)C3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPRMTHPWLRWOPL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC(CC#N)(N4CCCC4)C3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILOFFQNUDZMEB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(C)c(N3CC(CC#N)(N4CCCCC4)C3)n2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIXTEBAUAVHHA-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cnn(C)c2)nc1N1CC(CC#N)(N2CCN(C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLSQTACXCZUMHP-LBPRGKRZSA-N", "SMILES:CCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QENQYSSGIDOCFT-INIZCTEOSA-N", "SMILES:CC(C)(C)OC(=O)NCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIHSCVSKEUTKGP-KRWDZBQOSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIOFYIWJXGFHEN-SFHVURJKSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHUDDYEQUSAND-IBGZPJMESA-N", "SMILES:CC(C)(C)OC(=O)NCCCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTEVMAGJHHUCKD-KRWDZBQOSA-N", "SMILES:CC(C)(C)OC(=O)NCCOCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTOXIPIHTUWDS-ZDUSSCGKSA-N", "SMILES:O=C(O)C[C@H](NC(=O)c1cccc(-c2ccc(OC(F)(F)F)cc2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOFXATWSYOZOJM-IBGZPJMESA-N", "SMILES:CC(C)(C)OC(=O)NCCCOc1ccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFUJAWITIWCIGE-FQEVSTJZSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCOc1ccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBZCXRCXOAYDIL-NRFANRHFSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCCOc1ccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKOZDAEKIZYNU-QFIPXVFZSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCCCOc1ccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGDUMGZKRCDKO-FQEVSTJZSA-N", "SMILES:CC(C)(C)OC(=O)NCCOCCOc1ccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDIOMQYELNVYHN-SFHVURJKSA-N", "SMILES:O=C(O)C[C@H](NC(=O)c1ccc(-c2ccc(OCCCCCNc3ccc([N+](=O)[O-])c4nonc34)cc2)o1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJHBBWNZDTZHSI-ZDUSSCGKSA-N", "SMILES:NCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRHHSQCFNOWAN-AWEZNQCLSA-N", "SMILES:NCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXAWZNJJOAWVLG-HNNXBMFYSA-N", "SMILES:NCCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXECHUJQVZWGLU-INIZCTEOSA-N", "SMILES:NCCCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGAJLRVTIRINI-KRWDZBQOSA-N", "SMILES:CNCCCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMWTEPRYISCDE-SFHVURJKSA-N", "SMILES:CN(C)CCCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPQSIKTEBNWHY-NRFANRHFSA-N", "SMILES:CC(C)(C)OC(=O)NCCNCCCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPXTGCZPCWJLY-NRFANRHFSA-N", "SMILES:O=C(O)C[C@H](NC(=O)c1ccc(-c2ccc(OCCCCCCNCCNc3ccc([N+](=O)[O-])c4nonc34)cc2)o1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOUUSMKRIFUGFO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCCCOc1ccc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)c2)cc1"]}
{"name": "Succinate receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4739861"], "id": "UniProtKB:Q99MT6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDVDORLZJCNMO-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccccc2CC(=O)O)cccc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBSUXIAXUGFTM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccccc2CC(=O)O)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVWTTXJDTWXPLV-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1-c1cccc(C(=O)Nc2ccccc2CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWEHZEBGZVFSOF-UHFFFAOYSA-N", "SMILES:NCCCCCCOc1ccc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJRPQLCEKRHMRU-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCCCCN)ccc1-c1cccc(C(=O)Nc2ccccc2CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVSHCUMSBGDEFQ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCCCN)ccc1-c1cccc(C(=O)Nc2ccccc2CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDDSHOPEUMCWLW-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCN)ccc1-c1cccc(C(=O)Nc2ccccc2CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDZSQRZEAXBKIJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCN1CCN(Cc2ccc(-c3cccc(C(=O)Nc4ccccc4CC(=O)O)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOBNZKGAQWMGD-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(C)CC2)ccc1-c1cccc(C(=O)Nc2ccccc2CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IASKBYZCSLLVJE-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(CCNC(=O)OC(C)(C)C)CC2)ccc1-c1cccc(C(=O)Nc2ccccc2CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVSKLPQCBRNLSP-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(CCNC3C=CC([N+](=O)[O-])c4nonc43)CC2)ccc1-c1cccc(C(=O)Nc2ccccc2CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1741775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCEMCPAKSGRHCN-XIXRPRMCSA-N", "SMILES:O=C(O)[C@H]1O[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5394500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXVYZJJXRQPCQ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(Oc2ccc(Oc3cccc4cnccc34)cc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRLGWRYFNSFURN-VUQOTYAVSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](NC(=O)[C@@H]5CCCN5)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOMNRJZNTBOCLX-OPEAARRCSA-N", "SMILES:CC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1ccc3c(c1)CCN3Cc1ccc(F)cc1)C(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTYAFJHYHDSEI-IXLFXIALSA-N", "SMILES:O=C(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQIUMBGWRNRMJM-LPSAYFBNSA-N", "SMILES:COC(=O)CCCn1ccc2cc(NC(=O)NCC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAMQQAMXHXTLQ-XMURTRJZSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)Nc1ccc2c(ccn2Cc2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTSBAISJOGUJX-AHSSAWHLSA-N", "SMILES:O=C(O)CCCn1ccc2cc(NC(=O)NCC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONPEBQREPGYNA-VCJYYBTESA-N", "SMILES:NCc1ccc(Cn2ccc3cc(NC(=O)NCC45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULHMWUIVAYTNM-IXLFXIALSA-N", "SMILES:O=C(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTIQXTSTUOUPHM-CUDMKSOSSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIFFARQELRVVEE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc2ccccc12)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTUNYVCHQNTGX-CUDMKSOSSA-N", "SMILES:Fc1ccc(CN2CCc3cc(NC(=S)NCC45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQDXUUPPUVENDK-XMURTRJZSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)Nc1ccc2c(c1)CCN2Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSQFZXWVIDDFH-CUDMKSOSSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMQMMJYORCVTET-KEOWANKRSA-N", "SMILES:CC(C)c1ccc(Cn2ccc3cc(NC(=O)NCC45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFUMGTUKAQSVKG-GZVDNEBNSA-N", "SMILES:COC(=O)c1ccc(Cn2ccc3cc(NC(=O)NCC45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZNTOGFXMBCGX-WFMRNBHISA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)Nc1ccc2c(ccn2CCc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWNLYYZOJNSXCF-IXLFXIALSA-N", "SMILES:O=C(Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHKGLHELXIFEK-NIRWWMADSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)Nc1ccc2c(ccn2C(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZWEDIRIZHQOL-XHICYHHKSA-N", "SMILES:NCCCN1CCc2cc(NC(=O)NCC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLJDYXGKRRYSQN-LDEYYPCKSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)Nc1ccc2c(ccn2-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOLUKDDFNXIIGW-CIMINFAQSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)Nc1ccc2c(c1)c1ccccc1n2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL244405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBWKJBQDAQARU-KNFACUGJSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](Oc2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDESYZHTQAEDLX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFGQMUQAILPHH-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)N2CCCC2)cc(NC(=O)COc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXJJKSDELPPSQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(OCC(=O)Nc2cc(C(=O)N3CCCC3)cn(C)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEOXNCRPXOUXJU-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)N2CCCC2)cc(NC(=O)COc2ccccc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCKPXZZAGIWZED-UHFFFAOYSA-N", "SMILES:Cc1ccc(F)c(OCC(=O)Nc2cc(C(=O)N3CCCC3)cn(C)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMWSHLFOAOFQET-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)N2CCCC2)cc(NC(=O)COc2ccccc2C(F)(F)F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLWYEGUXIBADC-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)N2CCCC2)cc(NC(=O)COc2ccccc2Cl)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUCGDESGMDBTDG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1cc(C(=O)N2CCCCC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNGYBSMQLOFPS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCC(=O)Nc1cc(C(=O)N2CCC(F)(F)C2)cn(C)c1=O"]}
{"name": "Neuropeptide Y receptor type 4", "xref": ["CHEMBL.TARGET:CHEMBL4827"], "id": "UniProtKB:Q63447", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLHUCMFYVWUKRZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)c1cn(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGIABDJXEYIWOY-UHFFFAOYSA-N", "SMILES:CCc1ccc(-n2cc(C(=O)Nc3cccc(F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDYCVZBXSJHIG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYSUIFFDALTTTL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUHCLLKHJPYTHA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)ccc1-n1cc(C(=O)Nc2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEICNPIYQUGNMT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2cc(C(=O)Nc3ccc(Br)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURLMZXLGHDGAQ-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)c2cn(-c3ccc(F)cc3[N+](=O)[O-])nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBVRRNFBBTRNC-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)c1cn(-c2cccc(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTDPMPJNBXXAJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C(=O)NCc3ccccc3)nn2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJOHMBMCWSTABU-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cn(-c2ccc(C(=O)NC3CC3)cc2)nn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKLFCBNKMMAHSZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(-n2cc(C(=O)NCc3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIYNFCIAFTBMZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(-n2cc(C(=O)NCc3cccs3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHTZIFIBNCSFEG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1[nH]c(C)c(Cc2ccc(OCC)cc2)c1C"]}
{"name": "Dihydroorotate dehydrogenase (quinone), mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3588732"], "id": "UniProtKB:Q08210", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMFOCEZBWXODRV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1[nH]c(C)c(Cc2ccc(C(F)(F)F)nc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWRCYLHLZGCFQH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1[nH]c(C)c(Cc2ccc(C(F)(F)F)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPFACFTUZVDOPO-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)NC2CC2)c(C)c1Cc1ccc(C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEXOLNZPCPKTAD-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2cnc(C(F)(F)F)nc2)c[nH]c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPVORGLHQMLTSW-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGEGCUTVTCXTGF-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXGIEFQYUPAPER-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)CNc3ccc(C(F)(F)F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNMUXXSDDLNBPY-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3ccccc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTXVJDLOJINFR-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQYAKKTYMLMSBD-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3cccc(F)c3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSHJNQNSDWSDF-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3ccccc3F)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGWRHCFYMRBSG-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOPMHWALPZUQGA-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCPFQFGRGHZGH-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKXUVKBDEIORSV-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3ccccc3Cl)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEAMCDPKMLCWSK-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOJXTUCOTOBKJL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCC(c3cnc(C(=O)NCC(=O)O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTVHNMHARGAAPO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCC(c3cnc(C(=O)NCC(=O)O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFROEPBCNLRELG-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPAXXJSIWYVHM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N2CCC(c3cnc(C(=O)NCC(=O)O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYACKYGZYTVXNP-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3ccccn3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAEKVJLEHOMFKE-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3cccs3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFVAIXAULIYTBT-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)CNc3ccccc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCSXPOVOCJKSEI-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)CNc3ccc(F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWJJULLNCIIMB-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)CNc3ccc(Cl)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDDPOZNCFPQDDH-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)CNc3ccc(Cl)cc3Cl)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNSQHAZDGKXRAH-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)CNc3ccc(Cl)c(Cl)c3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLDITPFNEXVKOU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCC(=O)N2CCC(c3cnc(C(=O)NCC(=O)O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQTODXPSDDLLQE-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)CNc3ccc(OC(F)(F)F)cc3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYRRMMAJLKJMFG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXNXKCMSTSXRMM-UHFFFAOYSA-N", "SMILES:Cc1cc(OS(N)(=O)=O)ccc1N(C)C(=O)c1ccc(-c2cc(C)c(O)c(C)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEGOOTALFMAFPK-UHFFFAOYSA-N", "SMILES:Cc1ccc(OS(N)(=O)=O)cc1N(C)C(=O)c1ccc(-c2cc(C)c(O)c(C)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXIPLPSMPTHHI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)N(C)c3ccc(OS(N)(=O)=O)cc3)o2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UROCEDZROONHGN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)N(C)c3cccc(OS(N)(=O)=O)c3)o2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKGWGOCVDHHZDC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)N(C)c3ccc(OS(N)(=O)=O)c(F)c3)o2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZBUQJUEZSJRT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)N(C)c3ccc(OS(N)(=O)=O)c(Cl)c3)o2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNLAXLRPYSXIA-UHFFFAOYSA-N", "SMILES:Cc1cc(OS(N)(=O)=O)c(Cl)cc1N(C)C(=O)c1ccc(-c2cc(C)c(O)c(C)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDNHNXBACWULOX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc(O)cc2)s1)c1c(F)ccc(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBPARANIIHFRIY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)N(C)c3cccc(OS(N)(=O)=O)c3C)o2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKOCUZJYLKNNU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C(=O)N(C)c3c(C)cccc3OS(N)(=O)=O)o2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOAJRMSGCGAFE-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCNC(=O)c4nn(Cc5ccc(Cl)cc5Cl)c5ccccc45)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFEUWOIETWIJID-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCNC(=O)c4nn(Cc5ccc(Cl)cc5Cl)c5ccccc45)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEOWDXGFMAAOBR-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCCCOC(=O)c4nn(Cc5ccc(Cl)cc5Cl)c5ccccc45)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODXUZESQJTVTKH-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOC(=O)c4nn(Cc5ccc(Cl)cc5Cl)c5ccccc45)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOLXIJFXUSEQJE-UHFFFAOYSA-N", "SMILES:CC1Cc2cc(CNC(=O)N(Cc3ccc(F)cc3)C3CCN(C)CC3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVMBOTDFKQXEDW-UHFFFAOYSA-N", "SMILES:CN1CCC(N(Cc2ccc(F)cc2)C(=O)NCc2ccc3c(c2)CC(C)(C)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COCUCIALRJBIJX-UHFFFAOYSA-N", "SMILES:CC1COc2ccc(CNC(=O)N(Cc3ccc(F)cc3)C3CCN(C)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRWEFHVAHCGQH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3[nH]ccc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYCFWLPCLQHQX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3cc[nH]c3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUUUESUFIZUTKO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc3[nH]ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDQRYAMQNCXLZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c[nH]c3ncccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLUZUUEPQOAMT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc3[nH]ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBBPURQTGNHSQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc3[nH]cnc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJIGXVLHXFYYSS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc3[nH]ncc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXQQDPKDKZDWRB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc3[nH]ncc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBOETTZIBTGDE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc3nc[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJXNQLHBFEBQA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ncnc3[nH]ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZMJLWFHBUSDJK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc3nncn23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLXAURDPUXCCR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc3oncc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROXREQWFGLXHMV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc3[nH]c(=O)[nH]c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYIVMMFIJVQALA-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cccc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOKPVSCEUDVFEZ-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cccc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNLLFGUHDNLEI-UHFFFAOYSA-N", "SMILES:Cc1cnn(C)c1-c1cccc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVVWEGAEKNMBO-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1cccc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRPMXJZTIEFRD-UHFFFAOYSA-N", "SMILES:c1cc(-c2cccc3cccnc23)cc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJSMUNVVSMUXJL-UHFFFAOYSA-N", "SMILES:Cc1nn(CC2CC2)c(C)c1-c1cccc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWDTXPUVLCSDW-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cccc(-c2ccnc3nc[nH]c23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQMWQZNAOMDOZ-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cc(-c2ccnc3nc[nH]c23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JARALGGTYJESJK-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cccc(-c2ccnc3nc[nH]c23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEVPQGQOUKVXJZ-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1c(F)ccc(-c2ccnc3nc[nH]c23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBLOYGUFOXFDFO-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cc(NS(C)(=O)=O)cc(-c2ccnc3nc[nH]c23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIGZERUJQVCATD-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2c(C)nn(C)c2C)c(F)c(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBNAZOGLPPVML-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(-c2c(C)nn(C)c2C)c(F)c(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRUJJWUSKJUYRS-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cc(NS(=O)(=O)C2CC2)cc(-c2ccnc3nc[nH]c23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAVOBSWDWRZLCO-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cc(NS(=O)(=O)c2cnn(C)c2)cc(-c2ccnc3nc[nH]c23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWAVOHUMWGEFHO-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cc(NS(=O)(=O)c2ccccn2)cc(-c2ccnc3nc[nH]c23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTAHZPMZADRZOY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(C(=O)c4ccccc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNAJRMTQXQQTK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(C#N)c(Cl)c3)C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDRYXHCIGPCNEY-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(N3CCC4(CC3)CCN(c3ccc(C#N)c(Cl)c3)C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWTHNVDSWGMYFU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCCN(C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPMUPJWDGPKOD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(C6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBMJNGGUHCHFHY-YTCZSSRZSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCN(C5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBMJNGGUHCHFHY-YNJTUNHHSA-N", "SMILES:C[C@@H]1CC2(CCN(c3ccc(C(=O)N4CCN(C5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZVLPMLSIRFDCY-YTCZSSRZSA-N", "SMILES:C[C@@H]1N(c2ccc(C#N)c(Cl)c2)CCC12CCN(c1ccc(C(=O)N3CCN(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZVLPMLSIRFDCY-YNJTUNHHSA-N", "SMILES:C[C@H]1N(c2ccc(C#N)c(Cl)c2)CCC12CCN(c1ccc(C(=O)N3CCN(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCRVXZMTYCPXMI-YTCZSSRZSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCN(C5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRVBGNJSMSMQDC-YTCZSSRZSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCN(C5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)CC2)CN1c1ccc(C#N)c(C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZHFXWCEKBCZJV-YTCZSSRZSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCN(C5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)CC2)CN1c1ccc(C#N)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKPULWLPWUHNX-FDLYHPRCSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCN(C5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)CC2)CN1c1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRLOHYCYADKZCC-AYLNDXQWSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBCEAZVNRSTNL-YYFFZOGMSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCN(C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYWPTHNODCGEJY-AYLNDXQWSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQJTUWGGUFDRZ-YYFFZOGMSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCC(N5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOVJYTMNZYNCNZ-VOTTXDMFSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CC5(C4)CN(c4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYJKBZGYIUPTMH-XRTOLJPQSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQORVXSGECHHTM-LZZSZUQBSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4C[C@@H]5C[C@H]4CN5C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQORVXSGECHHTM-MYPXNEJVSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4C[C@H]5C[C@@H]4CN5C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMKKYADEUNMQY-NJJKIRBJSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCN(C5(C#N)CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAMLUUCSHCZIPF-YTCZSSRZSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CC(N5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXCQMNLUKMCLFZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(C(=O)c4ccc(N5CCN(C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIFKRLLFJYSKJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWRFRVSFDSGIRR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCFWOLUONRVVFR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCCN(C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CCC5)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZAKUIDPIYYBK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CC6CC(C5)CN(C5CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC5)C6)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKQBRXVVKCRZHI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CC6(C5)CN(C5CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC5)C6)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYKFYXHOMIQJEJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCC6(C5)CN(C5CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC5)C6)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZBECYHFVHJEW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(CC6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBWHMJMCFHQQGD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCCN(C6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCMNSGYQOOXZIQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CC6(C5)CN(C5CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C5)C6)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMJTMNDKRORII-ZVENJKCTSA-N", "SMILES:C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCC(C5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)CC2)CN1c1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVXNYDWULWMBI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCC(N6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)CC3)C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJSWZJAJADQHCJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CNC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUVBTIBNHAFQO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CC4(CNC4)C3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCHDJAGBMLLHOF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3=CC4(CNC4)C3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPFGSVDZKOIFG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3(O)CC4(CNC4)C3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKHHYCJNVLKEID-UHFFFAOYSA-N", "SMILES:COC1(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC2(CNC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULSVSNRHDJVLM-ZEQRLZLVSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3(O)C[C@H]4CNC[C@@H]4C3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STFZGVYZMIBXTL-UIOOFZCWSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3=C[C@H]4CNC[C@@H]4C3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMWUWJGAWGUCMR-UIOOFZCWSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3C[C@H]4CNC[C@@H]4C3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKWYWDRIQVQOCP-FOURXJPJSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@@H]3[C@@H]4CNC[C@H]3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFIYEIMEFITOEG-OIECWWRSSA-N", "SMILES:O=C(O)c1cc(-c2ccc([C@]3(O)[C@@H]4CNC[C@H]3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNZXBQQZDZJGU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CCCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGASNJBCSBYHC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3CCCNCCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDVBBKZBWMYET-BIMFAAKUSA-N", "SMILES:O=C(O)c1cc(-c2ccc(/C3=C/CCNCCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQJJYTCFOUAAIC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(C3(O)CCCNCCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVRUXHOLJQWSRU-VTXHGZHVSA-N", "SMILES:CN(C)C(=O)COC(=O)c1cc(-c2ccc([C@]3(O)[C@@H]4CNC[C@H]3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXZOHRICAZDNR-GTKACVKTSA-N", "SMILES:CCOC(=O)N1C[C@H]2C[C@@H](C1)[C@@]2(O)c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNYDBRYUKGXSA-UHFFFAOYSA-N", "SMILES:C[Si]1(C)C2=CC(=[N+]3CCC3)C=CC2=C(c2cc(C(=O)NCCCCCCn3cc(CCCCN4CCC(c5ccc(-c6cc(C(=O)O)cc7cc(-c8ccc(C(F)(F)F)cc8)ccc67)cc5)CC4)nn3)ccc2C(=O)[O-])c2ccc(N3CCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWQITMAQMBUDN-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFIMBHYPDHTMKA-UHFFFAOYSA-N", "SMILES:NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMXSYRBHGUMFBA-UHFFFAOYSA-N", "SMILES:N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCCCN5CCC(c6ccc(-c7cc(C(=O)O)cc8cc(-c9ccc(C(F)(F)F)cc9)ccc78)cc6)CC5)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOJJELRNFCQZQC-ZGUQAFIRSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)NCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTXROYOKCRMVHX-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C(=O)c2c[nH]c3cc(F)ccc23)c2ccc(Cl)cc2OC)cc(OCCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUDPKQEQCWOQF-VXKWHMMOSA-N", "SMILES:CN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)C(Cl)Cl)[C@@H](CC#N)C3)n1)CCN(c1cccc3cccc(Cl)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQOJHHPHQWDFBB-RXYILKCJSA-N", "SMILES:CN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)[C@@H](F)Cl)[C@@H](CC#N)C3)n1)CCN(c1cccc3cccc(Cl)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVRJJJAZBUSSHU-GOTSBHOMSA-N", "SMILES:CN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)CCl)[C@@H](CC#N)C3)n1)CCN(c1cccc3cccc(Cl)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUUGRGCOIFNRMT-SFTDATJTSA-N", "SMILES:CN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)C(Cl)Cl)[C@@H](CC#N)C3)n1)CCN(c1cccc3ccc(F)c(Cl)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMWMJJNFXTQPR-DQEYMECFSA-N", "SMILES:C#CCCCN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)C(Cl)Cl)[C@@H](CC#N)C3)n1)CCN(c1cccc3ccc(F)c(Cl)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQESZCQGLTYJPN-RCXVBCEZSA-N", "SMILES:C#CCCCN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)[C@@H](F)Cl)[C@@H](CC#N)C3)n1)CCN(c1cccc3cccc(Cl)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPCFANWZUHYAJ-NSOVKSMOSA-N", "SMILES:C#CCCCN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)C(=C)F)[C@@H](CC#N)C3)n1)CCN(c1cccc3cccc(Cl)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKVMCWGNNUBHCO-HSZRJFAPSA-N", "SMILES:O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)[C@H]1CCCN1C(=O)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVBBJIEKCCZTM-CHWSQXEVSA-N", "SMILES:C=CC(=O)N1C[C@H]2CCOc3c(Cl)c(-c4c(O)cccc4F)c(F)c4ncnc(c34)N2C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQOLVBNICGIJB-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(C#CC)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVAKNWCWBVPKK-AWEZNQCLSA-N", "SMILES:C=CC(=O)N1CCN2C(=O)c3ccc(-c4c(C)ccc5[nH]ncc45)c(Cl)c3OC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCSRGQGNGOUGG-INIZCTEOSA-N", "SMILES:C=CC(=O)N1CCN2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(Cl)c3OC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCSRGQGNGOUGG-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCN2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(Cl)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYRYRGHWFZWPR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(Cl)c3OCCC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSQCHFVANQYDB-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCN2Cc3ccc(-c4c(O)cccc4F)c(Cl)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCUIGJDSLTQLK-CYBMUJFWSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(F)c(-c4c(O)cccc4F)c(Cl)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOXJKNNDEWDQLE-CYBMUJFWSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(F)c(-c4c(O)cccc4F)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEKASIZRZVGHP-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(F)c(-c4c(C)cccc4O)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFALJRMFJSASP-BTQNPOSSSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(F)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDMIUGMSDNHJTM-CYBMUJFWSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(Cl)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCPXUBMSDAWDT-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(OC)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPCRHHPIJGMGPW-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(OC4CC4)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITPKQJEXXSKPY-CYBMUJFWSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(OC(F)F)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVGUKEFMXYXUOW-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCN2C(=O)c3cc(OCCOC)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYRAHLXBROMQZ-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(OCCN(C)C)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHVITNRCHBRJOY-MRXNPFEDSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(C4CC4)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDUKOBGPGCCIKV-CYBMUJFWSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(C(F)F)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOHRESGZAFPFTN-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCN2Cc3cc(C#N)c(-c4c(O)cccc4Cl)c(F)c3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXNLXOROUHNHEK-MRXNPFEDSA-N", "SMILES:C#Cc1cc2c(c(F)c1-c1c(O)cccc1Cl)OC[C@H]1CN(C(=O)C=C)CCN1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CALHVKBPWLNJNZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(Cc2cc(F)c(-c3c(O)cccc3Cl)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRJRLUOCKAVWJI-UHFFFAOYSA-N", "SMILES:C#Cc1cc(CN2CCN(C(=O)C=C)CC2)cc(F)c1-c1c(O)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVRWEVXCOXKPQJ-UONOGXRCSA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2CCOC[C@@H]2C)cc2sc(-c3cc[nH]n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYBDXKZBBZZHH-QWHCGFSZSA-N", "SMILES:C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)cc2sc(-c3cc[nH]n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4110496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJDYJDKKKQHTB-NEPJUHHUSA-N", "SMILES:C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2[nH]c(-c3cc[nH]n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVKLJPKMHPUYNF-QWHCGFSZSA-N", "SMILES:C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)cc2[nH]c(-c3cc[nH]n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXIVBSVNMIJRPV-KGLIPLIRSA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2CCOC[C@@H]2C)nc2[nH]c(-c3cc[nH]n3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXQPWBFVIIXOMV-OLZOCXBDSA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2CCOC[C@@H]2C)nc2[nH]c(-c3cc[nH]n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNWDMHKIBJAIJ-KGLIPLIRSA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2CCOC[C@@H]2C)nc2sc(-c3cc(O)ccc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYAVJVUYMVRSA-CABCVRRESA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2CCOC[C@@H]2C)nc2sc(-c3ccccn3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKIHOZLMCHMJV-OLZOCXBDSA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2CCOC[C@@H]2C)nc2sc(-c3nccs3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQYUEKNIOFLPLT-OLZOCXBDSA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2CCOC[C@@H]2C)nc2sc(-c3cscn3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVQQIYYYFGIWRZ-QQFBHYJXSA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2C3CCC2COC3)nc2[nH]c(-c3ccccn3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXJCPGIJXNJEX-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1cc(-c2cncnc2)nc2sc(-c3cc[nH]n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPFADEFOCKMBBZ-LLVKDONJSA-N", "SMILES:CC(C)c1cc(N2CCOC[C@H]2C)c2nc(-c3cc[nH]n3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYBDMULNZTVIP-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(C#N)CC2)nc2sc(-c3cc[nH]n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYOSYPWTRUISOS-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(C#N)CCOCC2)nc2sc(-c3cc[nH]n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIPOFQVPXAIRQK-INIZCTEOSA-N", "SMILES:CCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHCGJQUKXTRNR-KRWDZBQOSA-N", "SMILES:CCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRPZMLXFPDERQS-SFHVURJKSA-N", "SMILES:CCCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBROEXNVPDFFCE-IBGZPJMESA-N", "SMILES:CCCCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJARUWIFRQEXIR-FQEVSTJZSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEKKHSDPFDXQN-INIZCTEOSA-N", "SMILES:COc1c(O)ccc2c1CN1CCc3cc(OCCF)c(O)cc3[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGURFWLEHSLEY-SFHVURJKSA-N", "SMILES:CCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRIGEEYYMGNBLH-IBGZPJMESA-N", "SMILES:CCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANDDNJUYPNMKJQ-FQEVSTJZSA-N", "SMILES:CCCCOc1c(O)cc(Br)c2c1CN1CCc3cc(OCCC)c(O)cc3[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMFWIZULHRZJBU-NRFANRHFSA-N", "SMILES:CCCCCOc1c(O)cc(Br)c2c1CN1CCc3cc(OCCC)c(O)cc3[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVWSYSDQXIYKJ-QFIPXVFZSA-N", "SMILES:CCCCCCOc1c(O)cc(Br)c2c1CN1CCc3cc(OCCC)c(O)cc3[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKVCRINIVDQQR-FQEVSTJZSA-N", "SMILES:CCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCCOCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLIBYXPSIHAKP-SFHVURJKSA-N", "SMILES:CCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCNXDINEERCWGB-IBGZPJMESA-N", "SMILES:CCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OCCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXHXASWJFMKLE-FQEVSTJZSA-N", "SMILES:CCCCOc1c(O)ccc2c1CN1CCc3cc(OCCC)c(O)cc3[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIQIXAAZIFEHQC-NRFANRHFSA-N", "SMILES:CCCCCOc1c(O)ccc2c1CN1CCc3cc(OCCC)c(O)cc3[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIIDBWOPSJFIE-QFIPXVFZSA-N", "SMILES:CCCCCCOc1c(O)ccc2c1CN1CCc3cc(OCCC)c(O)cc3[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUUSSMWQKKSAX-FQEVSTJZSA-N", "SMILES:CCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OCCOCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZVUTOOLYYAOX-NRFANRHFSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWZUTQGRBJLDH-QFIPXVFZSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWXAQHBAPRXPD-QHCPKHFHSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCCCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQYAHMIUKDWPQ-DEOSSOPVSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCCCCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVXJKZIZVPZHDE-VWLOTQADSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCCCCCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHCQDFZJQYUSF-QHCPKHFHSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCCOCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUEHIYRLOQCWLO-NRFANRHFSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFYNQIVBIQGLJA-QFIPXVFZSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OCCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLCUTXIBPDBQJC-DEOSSOPVSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OCCCCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISHULLMLYOWDJR-VWLOTQADSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OCCCCCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8514", "category": ["biolink:ChemicalEntity"], "name": "BUTACLAMOL", "xref": ["InChIKey:ZZJYIKPMDIWRSN-HWBMXIPRSA-N", "SMILES:CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1"], "synonym": ["Butaclamol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOMIAFXMQARGDX-QHCPKHFHSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OCCCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJIQRQMSPDCJJA-QHCPKHFHSA-N", "SMILES:CCCCCCOc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OCCOCC)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62", "category": ["biolink:ChemicalEntity"], "name": "SCH-23390", "xref": ["InChIKey:GOTMKOSCLKVOGG-OAHLLOKOSA-N", "SMILES:CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL353335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHWJEDJMOVUXEC-UHFFFAOYSA-N", "SMILES:Oc1cc2c(c(Cl)c1O)CCNCC2c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5430532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGSDJBEVVLXOS-UHFFFAOYSA-N", "SMILES:CN(C)CCc1cc(F)c(F)c(C#Cc2cc(Cl)cc(N)n2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFDQQZHYMAJWLN-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C#Cc2cc(CCN(C)C)cc(F)c2F)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDUOQNBJYNAXGO-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(C#Cc2cc(CN(C)C)cc(F)c2F)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHOHLZDBXJDLSF-SFKRKKMESA-N", "SMILES:Cc1cc(N)nc(/C=C/c2cc(CN(C)C)cc(F)c2F)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUPIADLFOBSASB-SFKRKKMESA-N", "SMILES:Cc1cc(N)nc(/C=C/c2cc(CCN(C)C)cc(F)c2F)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDPXQGNFJAMHKZ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(CCc2cc(CN(C)C)cc(F)c2F)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMNJBDGKZTQSU-UHFFFAOYSA-N", "SMILES:CN(C)CCc1cc(F)c(F)c(CCc2cccc(N)n2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVCUEWHONHTRDF-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(CCc2cc(CCN(C)C)cc(F)c2F)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAYBGKYVNRILRL-UHFFFAOYSA-N", "SMILES:COc1cc(N)nc(CCc2cc(CCN(C)C)cc(F)c2F)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOKPKQBOSYFBQ-UHFFFAOYSA-N", "SMILES:Cc1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)n1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKHCWVBBBKRPFN-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRDHATIFTZROJT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDUAWKGMQBVIQR-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(CCc2cc(CCN3CCN(C)CC3)cc(F)c2F)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNXRVXQDXORPG-UHFFFAOYSA-N", "SMILES:CN(C)CCc1cc(F)c(F)c(CCc2cc(C(F)F)cc(N)n2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXUFQLABFOHTGD-UHFFFAOYSA-N", "SMILES:CN(C)CCc1cc(F)c(F)c(CCc2cc(C(F)(F)F)cc(N)n2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKNYVICIQGNERP-OBKDMQGPSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKNYVICIQGNERP-CXQPBAHBSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMICQPBFCNDVPC-ZKIDJSGLSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]c2ccc(S(N)(=O)=O)c(N)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWKPHNIXMNPGQ-ZIQFBCGOSA-N", "SMILES:NS(=O)(=O)c1ccc([Se][C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUTWIGNKRIKAZ-URYVQPGZSA-N", "SMILES:Nc1cc([Se][C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWKPHNIXMNPGQ-IIRVCBMXSA-N", "SMILES:NS(=O)(=O)c1ccc([Se][C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODOYFSQOXGEKI-SFFUCWETSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]([Se]c2ccc(S(N)(=O)=O)cc2)O[C@H](CO)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODOYFSQOXGEKI-ICUGJSFKSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](CO)O[C@@H]([Se]c2ccc(S(N)(=O)=O)cc2)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWFBBSDBGYPACG-XNJHUCFUSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](CO)O[C@@H]([Se]c2ccc(S(N)(=O)=O)c(N)c2)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWPJXRHMANTYFB-OBKDMQGPSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](Sc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWPJXRHMANTYFB-CXQPBAHBSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](Sc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIQIGNHEHFIPGG-ZIQFBCGOSA-N", "SMILES:NS(=O)(=O)c1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIQIGNHEHFIPGG-IIRVCBMXSA-N", "SMILES:NS(=O)(=O)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPXKKLRMYWXND-ICUGJSFKSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](CO)O[C@@H](Sc2ccc(S(N)(=O)=O)cc2)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAPWBQCQUOSIEM-OBKDMQGPSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAPWBQCQUOSIEM-CXQPBAHBSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXGMOMHNKQPBKI-ZIQFBCGOSA-N", "SMILES:NS(=O)(=O)c1ccc(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEAUONETIOWGP-RTJMFUJLSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEAUONETIOWGP-CAKRBILKSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZICFNNDQYSEFG-ICUGJSFKSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=S)Nc2ccc([Se][C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZICFNNDQYSEFG-SFFUCWETSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=S)Nc2ccc([Se][C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWGGDIASDQSSD-NUPXYHBHSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]c2ccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWGGDIASDQSSD-VJIOPBFVSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]c2ccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDVVKUGWLQPKD-RDHIYWLCSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)Nc2ccc([Se][C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIYGRTUCJXAUEL-VGYBTVITSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)Nc2ccc([Se][C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDVVKUGWLQPKD-ILYVXUQDSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)Nc2ccc([Se][C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMICQPBFCNDVPC-PKOFMYQESA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]c2ccc(S(N)(=O)=O)c(N)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPLLGPNHNUOMGV-FOORKGQUSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H]([Se]c2ccc(NC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGHSPIWCLYJEY-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEMUTONMKKDWNF-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXMELARKXTWBJ-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBGYQVNFXQACEE-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAYNYEURQAEQDE-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CC3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFWYIDHBLUGOI-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC3CC3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLEUSGWCBPHXJX-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVAPYGCKDDHQE-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLZBMRCYZHGQH-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZBGEWLDZRCMQZ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CC3)n2)cc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUITHCNCVKECM-RPCJCACASA-N", "SMILES:CC(C)[C@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSZDQUPRFFLOJT-UHFFFAOYSA-N", "SMILES:CC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVSDKJARWGRQM-MIJJTYSQSA-N", "SMILES:Nc1ncc(-c2cn(C34CC(C3)C4)c([C@@H](O)C(F)(F)F)n2)cc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUOJHVFYSAMHNK-GWMXKSKGSA-N", "SMILES:Nc1ncc(-c2cn(C34CC(F)(C3)C4)c([C@@H](O)C(F)(F)F)n2)cc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYBGHBAVRNATET-VQTJNVASSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC)cc(CCCCC)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5435390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGVMDGHRWDIIIO-FCHUYYIVSA-N", "SMILES:C=C(CO)[C@@H]1CCC(C)=C[C@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIPOTMETQQJMD-VQTJNVASSA-N", "SMILES:C=C(COC(C)=O)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXRACLQFPRCBB-ZWKOTPCHSA-N", "SMILES:CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)C)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5433984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIXAVCVBZBXIY-RYQLBKOJSA-N", "SMILES:CCCCCc1cc(O)c([C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNZLXQSVWGEEMG-OKZBNKHCSA-N", "SMILES:CCCCCc1cc(O)c([C@@H]2C[C@@H](CO)CC[C@H]2C(C)C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUXUDGMVYZUFNQ-CBGDNZLLSA-N", "SMILES:C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(O)cc(CCCCC)cc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYRCNFXVRPPXIG-JXXFODFXSA-N", "SMILES:C=C(I)[C@H]1CC[C@]2(C)C[C@H]1c1c(O)cc(CCCCC)cc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYRCNFXVRPPXIG-FTRWYGJKSA-N", "SMILES:C=C(I)[C@@H]1CC[C@@]2(C)C[C@@H]1c1c(O)cc(CCCCC)cc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFFQLRNNYJZCPZ-LSDHHAIUSA-N", "SMILES:C=Cc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDZBQSJFRBIMW-JKSUJKDBSA-N", "SMILES:C=CCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTRKRGRMUBVMKA-DLBZAZTESA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CC(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVHFLFDOCKLFE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)C2CCCCC2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTAYJIXDWWMNHI-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cccc(F)c2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZGNBMRZQBUNC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOGBTWNUNVRIJQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cccc(Cl)c2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJGJYJXRIYIAQU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDMYSZNQSKGIO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cccc(Br)c2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHHJNNYSZRRKB-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccc(Br)cc2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLZPJQFBHSZSJD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cccc([N+](=O)[O-])c2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNNYRHSNXNQLFH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccc([N+](=O)[O-])cc2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMEXPTNMMIYXAO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccc(C#N)cc2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJIOKXCXWSDIN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)Cc2ccccc2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKNQKIAPYVEXAI-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccco2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLACPHGVROPISY-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cccs2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWIRJRJZIDNZGE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccsc2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQLABGPHTMLXQO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cccc(OC)c2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKSRKLFNWBSFCH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDRIOYIVGHVIHH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTECXSOIPWULQS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(C(=O)c2cc(OC)cc(OC)c2)C=C(C(=O)OCC)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUSMULTWGDSXAX-MVBWODGOSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NC[C@@H]1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUSMULTWGDSXAX-RWAHBOCMSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NC[C@H]1[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJLLLZPWRQTNTJ-FUNFUTOTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NC[C@@H]1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC[C@@H]2[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJLLLZPWRQTNTJ-VKUPHRHMSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NC[C@H]1[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC[C@H]2[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)C[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SADYRRFJQXPSEH-TUFLPTIASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMINZFWSLOOUSR-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(F)cc2)csc1OCc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUMBLLOUWYMBSQ-QCENPCRXSA-N", "SMILES:Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3C[C@@H](F)C[C@@H]3C(=O)O)cc2Cl)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMCKQIXYCUICJ-BLKJFUMZSA-N", "SMILES:Cc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccncc6)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEWCBOPKRHBSPW-QQKFYDJZSA-N", "SMILES:CCc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccncc6)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOQOQAGXBMZIC-ZWHDFXHCSA-N", "SMILES:COc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccncc6)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGPHGVIXRRIDDR-MJTLHZCXSA-N", "SMILES:CC(C)c1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccncc6)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJQNYTUDOSWTD-BLKJFUMZSA-N", "SMILES:CCc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccnnc6)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRXCBLBMLWEDEN-JFIFQLOXSA-N", "SMILES:COc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccnnc6)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQIZTPARBCYBLV-IJVBLNSKSA-N", "SMILES:C[C@]12CC[C@H](NC(=O)c3ccnnc3)CC1=CCC1C2CC[C@]2(C)C(n3cnc(C#N)c3)=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRQTHSWVHWOAW-QYKVARSSSA-N", "SMILES:C[C@]12CC[C@H](NC(=O)c3ccnnc3)CC1=CCC1C2CC[C@]2(C)C(n3cnc(Cl)c3)=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZZBIMZRJHZRAJ-QYKVARSSSA-N", "SMILES:C[C@]12CC[C@H](NC(=O)c3ccnnc3)CC1=CCC1C2CC[C@]2(C)C(n3cnc([N+](=O)[O-])c3)=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITLNVWOBYMNDF-PTBMNMLPSA-N", "SMILES:Cc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccncc6F)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBQZSNXUHGJID-DDKODCSJSA-N", "SMILES:Cc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccc([N+](=O)[O-])cc6)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNQIUVGOHGYPSK-QDQNTVTGSA-N", "SMILES:Cc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccc(C#N)cc6)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNACTZILTTXFFZ-YHXULCDRSA-N", "SMILES:Cc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccc(S(C)(=O)=O)cc6)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHVKBJJTUMIPIT-QQKFYDJZSA-N", "SMILES:Cc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccc(F)cc6)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWACBUJYUQYOBO-WLLNWOKHSA-N", "SMILES:Cc1cn(C2=CCC3C4CC=C5C[C@@H](NC(=O)c6ccc(F)cc6F)CC[C@]5(C)C4CC[C@]23C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15927", "category": ["biolink:ChemicalEntity"], "name": "OLEAMIDE", "xref": ["InChIKey:FATBGEAMYMYZAF-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1672671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPAJAKNTNIOXSS-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCC(O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDZJZDBQGJPVOQ-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPAJAKNTNIOXSS-QJRAZLAKSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NC[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDVTFHRZXBSJM-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NC(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSHMFXNMYEUPR-DWRSKQMOSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLFKELVBPUSMGW-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NC(CO)(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBZJHCTVLQQBPW-YPKPFQOOSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCC(OCC)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHGTPIJYDGNHZ-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCCOCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGXTZXRAYPIBF-LAXMDVRKSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@H](C(=O)OC)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZDZHDHRAADLS-PISNEZEASA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](CO)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDFXMFXIBYNJCQ-SGAGCNABSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQMNYTULQONSL-XNAAMHPASA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMXEZCVUJCXDQ-AKFUDEIGSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@H](C(=O)O)[C@H](C)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4515758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDKGXAMSZIDKF-VJIACCKLSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](CO)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4228964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOIBFJBJAWHQNM-JRUKXMRZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAKJNQLDKZLAKM-ZDQMOETHSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMFNZWDAFAVBIA-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWHSBABGQKDUFQ-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250711", "category": ["biolink:ChemicalEntity"], "name": "OLEOYL DOPAMINE", "xref": ["InChIKey:QQBPLXNESPTPNU-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5397061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSJSNZIMSVENG-KTKRTIGZSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSZHULRUMVUAL-SEYXRHQNSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCCCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPXWEQMOPWATBX-SEYXRHQNSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIJZSBWAQJBCDA-HKOYGPOVSA-N", "SMILES:O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(OCCCCCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEZBRPCBTXVWAM-HKOYGPOVSA-N", "SMILES:O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(OCCCCCCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNIYBSBWFCKKLS-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1ccc(S(=O)(=O)c2ccc(O)c(O)c2)cc1)c1cc(O)c(O)cc1-c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLZVLSXCWFUBJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCc1ccc(S(=O)(=O)c2ccc(O)c(O)c2)cc1)c1cc(O)c(O)cc1-c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAXWNPHATMCEIN-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(CN2c3cc(O)c(O)cc3-c3cc(O)c(O)cc3S2(=O)=O)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMBHNAVYXWHQLJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(CN(c2ccc(O)c(O)c2)S(=O)(=O)c2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTAHKZVUEROOJJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(O)c(O)cc3-c3ccc(O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRYYZNPSXXWRX-UHFFFAOYSA-N", "SMILES:Nc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(O)c(O)cc3-c3ccc(O)c(O)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTEFJLZHAHEPIU-UHFFFAOYSA-N", "SMILES:Nc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(O)c(O)cc3-c3ccc(F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTJOTZMJCNHQMG-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccccc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWWSGAQXWTFHC-UHFFFAOYSA-N", "SMILES:CCCN(c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYIRKRNKAGFKQ-UHFFFAOYSA-N", "SMILES:CCCCCN(c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZXRFBOKXHLCR-UHFFFAOYSA-N", "SMILES:CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKXWFISYQUJIL-UHFFFAOYSA-N", "SMILES:CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDVUCLWYDNUKR-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccccc1)c1cc(O)c(O)cc1-c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMDNKOGIIZGIBC-UHFFFAOYSA-N", "SMILES:CN(c1ccc(O)c(O)c1)S(=O)(=O)c1cc(O)c(O)cc1-c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXMAYYQTOPLQV-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHCFKBONGUFZIH-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKEHETWDYUOJGZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1ccccc1-c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHAWUDOEDXQLKR-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1ccccc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQKIXIBVKWEHU-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(Cc2ccc(O)c(O)c2)cc1)S(=O)(=O)c1ccccc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFYCDLAYIFOEHJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1cc(O)c(O)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYJJQYIRYLUVMU-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2ccccc2S(=O)(=O)NCc2ccc(Cc3ccc(O)c(O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDPVEUJCVOZAG-UHFFFAOYSA-N", "SMILES:Nc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(O)c(O)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCXHDDSXYTRGS-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(O)c(O)c1)c1cc(O)c(O)cc1-c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBQJJGXTFOWIRF-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1ccc(S(=O)(=O)c2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBMHHGDFJPTOQJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCc1ccc(S(=O)(=O)c2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUAKJQMZHVAFHX-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1ccc(S(=O)(=O)c2cccc(O)c2)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXXJFOMKHHPNL-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCc1ccc(S(=O)(=O)c2cccc(O)c2)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPYXRZFCCXDYTP-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEWFIPCMCTXMT-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(CCN2c3cc(O)c(O)cc3-c3cc(O)c(O)cc3S2(=O)=O)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWUAPCWPGNYJRR-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(O)c(O)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQQFQUJUSEVIN-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCc1ccc(S(=O)(=O)c2cccc(O)c2)cc1)c1cc(O)c(O)cc1-c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTSVPQGEMHVGDV-NZQKXSOJSA-N", "SMILES:Cc1ccc(NCCCSC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIFKJCBIUZNPHK-OXJNMPFZSA-N", "SMILES:Cc1ccc(NC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3cc(O)ccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTVPCBIZJATWPE-LAUBAEHRSA-N", "SMILES:Cc1ccc(NCC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3cc(O)ccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGZVWAADOBGCCZ-XMSQKQJNSA-N", "SMILES:Cc1ccc(NCCC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3cc(O)ccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVVRUHQPLIQBB-LAUBAEHRSA-N", "SMILES:COc1ccc2sc3c(C)ccc(NC[C@@H]4CCCN5CCCC[C@H]45)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOARVWOVAHJIU-PGRDOPGGSA-N", "SMILES:COc1ccc2sc3c(C)ccc(NCC[C@@H]4CCCN5CCCC[C@H]45)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHAYDFMFBTRGK-AUSIDOKSSA-N", "SMILES:COc1ccc2sc3c(C)ccc(NCCC[C@@H]4CCCN5CCCC[C@H]45)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYSVJJDTRLPJR-MAUKXSAKSA-N", "SMILES:O=c1c2ccccc2sc2c([N+](=O)[O-])ccc(NC[C@@H]3CCCN4CCCC[C@H]34)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTZOXPYMMOGAB-OXJNMPFZSA-N", "SMILES:COc1ccc2sc3c([N+](=O)[O-])ccc(NCC[C@@H]4CCCN5CCCC[C@H]45)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIALEIKIKXUSO-DYESRHJHSA-N", "SMILES:COc1ccc2sc3c([N+](=O)[O-])ccc(NCCC[C@@H]4CCCN5CCCC[C@H]45)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTMUVJWRGGMHTD-HNAYVOBHSA-N", "SMILES:Nc1ccc(NC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279014", "category": ["biolink:ChemicalEntity"], "name": "LUCANTHONE", "xref": ["InChIKey:FBQPGGIHOFZRGH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12"], "synonym": ["Lucanthone", "Lucanthone", "Lucantona"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5440445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJSERYMQYYVAH-UHFFFAOYSA-N", "SMILES:COc1ccc2sc3c(C)ccc(NCCC4CCN(C)CC4)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWEYQONVTCKUID-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1ccc([N+](=O)[O-])c2sc3ccc(OC)cc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGLNCIQWXGXHA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1ccc(C)c2oc3ccccc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLFDOJBDYAWUKJ-DENIHFKCSA-N", "SMILES:Cc1ccc(NCCC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3352860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APONJQVTYXVQAO-FXAWDEMLSA-N", "SMILES:Cc1ccc(NC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMCRYCMNVUKASY-DENIHFKCSA-N", "SMILES:Cc1ccc(NCCC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUCBXJLVUPRMSX-YLJYHZDGSA-N", "SMILES:O=c1c2ccccc2sc2c([N+](=O)[O-])ccc(NCCC[C@@H]3CCCN4CCCC[C@H]34)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLLWFINSIBDSL-HNAYVOBHSA-N", "SMILES:COc1ccc2sc3c([N+](=O)[O-])ccc(NC[C@@H]4CCCN5CCCC[C@H]45)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODWZWRLYKUNDN-DYESRHJHSA-N", "SMILES:Nc1ccc(NCCC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBPNQLXDNLVNE-HRAATJIYSA-N", "SMILES:COc1ccc2sc3c(N)ccc(NCC[C@@H]4CCCN5CCCC[C@H]45)c3c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFYDUXNNYJFGIW-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1ccc(N)c2sc3ccc(OC)cc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBSFLWKLNGCQC-FXAWDEMLSA-N", "SMILES:Cc1ccc(NC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNFXPDHTGJLAA-VQIMIIECSA-N", "SMILES:CCCN(SC[C@H]1CCCN2CCCC[C@H]12)C1=C(Cl)C(=O)c2ccccc2C1=O"]}
{"name": "PHD finger protein 6", "xref": ["CHEMBL.TARGET:CHEMBL5465329"], "id": "UniProtKB:Q8IWS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLEPYEKBBLKJGO-UHFFFAOYSA-N", "SMILES:O=S(=O)(CCCCCCNC(=S)Nc1cccnc1)N(Cc1ccco1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZJYMBVXZNKBSD-UHFFFAOYSA-N", "SMILES:N#C/N=C(\\NCCCCCCS(=O)(=O)N(Cc1ccco1)C1CCCC1)Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRLGQHJHYSZGQ-UHFFFAOYSA-N", "SMILES:N#C/N=C(\\NCCCCCCC(=O)N(Cc1ccco1)C1CCCC1)Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFGGFADZFKQZOD-UHFFFAOYSA-N", "SMILES:N#C/N=C(\\NCCCCCCn1cc(CN(Cc2ccco2)C2CCCC2)nn1)Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2365410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPZFJDYQHDZNR-ASPXRTSYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTULDOELMWBGF-UHFFFAOYSA-M", "SMILES:S=C([S-])NCc1cccnc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMIIVENAJRQNNL-UHFFFAOYSA-N", "SMILES:CCSC(=S)NCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHLBJLRRZKJCRW-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc(CSC(=S)NCc3cccnc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRDAKHXFPYHQD-UHFFFAOYSA-N", "SMILES:S=C(NCc1cccnc1)SCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZBHFSCQJZAFQ-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc(CNC(=S)NCc3cccnc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUGCLAAQLDMTD-UHFFFAOYSA-N", "SMILES:COCCn1cc(COc2cccc(Cc3cnc(NC(=O)CSc4nc(C)cc(C)n4)s3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL385800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCVHJCZBIYRQC-UHFFFAOYSA-N", "SMILES:O=C1Nc2cc(Cl)cc(Cl)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3265255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCCNERMXRIPTR-UHFFFAOYSA-N", "SMILES:O=Cc1c(O)ccc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL513181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODLGMSQBFONGNG-XZMZPDFPSA-N", "SMILES:[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O"]}
{"name": "Hepatitis C virus NS5B RNA-dependent RNA polymerase", "synonym": ["RNA-directed RNA polymerase"], "xref": ["CHEMBL.TARGET:CHEMBL5375"], "id": "UniProtKB:Q8JXU8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3052230"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRACSMALKQTJNX-XZMZPDFPSA-N", "SMILES:[N-]=[N+]=N[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL393857", "category": ["biolink:ChemicalEntity"], "name": "4'-AZIDOCYTIDINE", "xref": ["InChIKey:ODLGMSQBFONGNG-JVZYCSMKSA-N", "SMILES:[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O"], "synonym": ["4'-azidocytidine", "R-1479", "R1479"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103913", "category": ["biolink:ChemicalEntity"], "name": "TEICOPLANIN A2-3", "xref": ["InChIKey:BJNLLBUOHPVGFT-GUECTAFGSA-N", "SMILES:CCCCCCCCCC(=O)N[C@H]1[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H]4NC(=O)[C@H](Cc5ccc(c(Cl)c5)O3)NC(=O)[C@H](N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc3[C@@H](C(=O)O)NC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O"], "synonym": ["Teicoplanin a2-3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCJOCFDARLNSM-XYVUZYJLSA-N", "SMILES:COC(=O)CCC(CC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)OC)C(=O)CF)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL542118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEFMSTTZXJOTM-UHFFFAOYSA-N", "SMILES:Cl.NC1CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVUKWBPECUZOET-NSHDSACASA-N", "SMILES:CC(C)(C)OC(=O)CC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSAPQHIHCHMAMY-INIZCTEOSA-N", "SMILES:CC(C)(C)OC(=O)CC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)COC(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBWFNALDLLDXEL-ADUOGZPQSA-N", "SMILES:CCOC(=O)[C@@H]1O[C@H]1C(=O)N(CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL468971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIVZALZNKBBEK-BFRYPLHYSA-N", "SMILES:C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)/C=C/C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508338", "category": ["biolink:ChemicalEntity"], "name": "THIMEROSAL", "synonym": ["Thiomersal", "Thiomersal", "Thiomersal", "Tiomersal", "Thimerosal", "Ethylmercury sodium salt", "Mercurothiolate", "Merfamin", "Mertorgan", "Merzonin", "Sodium ethylmercurithiosalicylate", "Thimerosal", "Thiomersal", "Thiomersalate", "NSC-4794", "Merthiolate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1336287", "category": ["biolink:ChemicalEntity"], "name": "3,4-DIDESMETHYL-5-DESHYDROXY-3'-ETHOXYSCLEROIN", "xref": ["InChIKey:GIPLQLQEWXCSIX-UHFFFAOYSA-N", "SMILES:CCOc1cccc(C(=O)c2ccc(O)c(O)c2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5426064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXSIXMJHKAJOD-GICMACPYSA-N", "SMILES:O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL354349", "category": ["biolink:ChemicalEntity"], "name": "EUFLAVINE", "xref": ["InChIKey:KKAJSJJFBSOMGS-UHFFFAOYSA-N", "SMILES:C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-]"], "synonym": ["Euflavine", "Acriflavine neutral form", "3,6-diamino-10-methylacridinium chloride", "NSC-2755"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1964546", "category": ["biolink:ChemicalEntity"], "name": "PROFLAVINE SULFATE", "xref": ["InChIKey:WSFHCKWLECYVBS-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O"], "synonym": ["Proflavin sulfate", "Proflavine sulfate", "Proflavine sulphate", "NSC-1510"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUNYFNONXIUSKI-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5074774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYCKXXXKHZZIE-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2[se]c3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4850660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSICHXBVKYHHDB-KVIMGBSASA-M", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].C[N+](C)(C)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4856219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOUVRTQCCOLTMO-KVIMGBSASA-M", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4860690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFXRRXAEEYFQAA-FCSMXUNPSA-M", "SMILES:O=C(N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-])OCCc1cccc(Cl)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSPJDKCMFIPBAW-GPSJTLKISA-M", "SMILES:[2H]C([2H])(OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-])c1ccccc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4868443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGESRZSCUCFDHX-OPOLGWMESA-M", "SMILES:O=C(N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-])OCc1cccc(F)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMUHUYPUWGKJR-GMUMSBIHSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)C(F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4852507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBVPAGLILYEOGS-UHFFFAOYSA-N", "SMILES:C=CCn1ccc2c(C(=O)Oc3cncc(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLXRADSDVGMMCK-PGUFJCEWSA-N", "SMILES:CCN(C[C@]1(C)CN(C(=O)c2nn(C)c3c2CCc2ccccc2-3)CCC1=O)C(=O)c1nn(C)c2c1CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBODFNXEFAFEI-RXFWQSSRSA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)C(Br)(Br)Br)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVSKSGAQEYJXQI-KUNJKIHDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccccc2)C2C(=O)C(Br)(Br)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYILZIVXCPNHGX-KUNJKIHDSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C2C(=O)C(Br)(Br)[C@H]2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIRAWUKVBJSZBD-OWTODPTHSA-N", "SMILES:CC1(C)[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C2C(=O)C(Br)(Br)[C@H]2[S+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNFBYOTGGMQOS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NC2CCCCC2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXJIIOOBAFDHM-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBPORSTYBRWAD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXGIYKRRPGCLFV-JOCHJYFZSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYGXXTSBJDGVES-UHFFFAOYSA-N", "SMILES:O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKYIVHLRSLTYKM-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cc(N2CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZJUKEQMHBEIKH-UHFFFAOYSA-N", "SMILES:OCCN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cccc(Cl)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLXHOVKKWOHBR-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccccc2F)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOEQZIFKLHFUGN-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cccc(F)c2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAZUYGCSVSLAME-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(F)cc2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBKSDNWJJWGBRJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccccc2Cl)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQIGTICRZNMJSG-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cccc(Cl)c2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTPFQRHYRYWCFL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(Cl)cc2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQUFPXQPWVYSA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccccc2Br)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFPADUAPDUOHJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cccc(Br)c2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDPQMAYCKQFXJW-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(Br)cc2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWPNLKCPCWPMW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc2cc(O)c(O)c(O)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRDYULSMHXHMH-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc3cc(O)c(O)c(O)c3c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBJCUMRCGPPGPS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3cc(O)c(O)c(O)c3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTHWTUICIVMCO-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccccc2C(F)(F)F)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTCFOZGNAXEOB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cccc(C(F)(F)F)c2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSWOVCBCRLOCY-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccccc2OC(F)(F)F)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRJQLVEXYLLSU-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccccc2[N+](=O)[O-])nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWKSFJWEAXSYQP-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPAMFILYHWWOH-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(-c2nc3cc(O)c(O)c(O)c3c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPXURFUHUJZXJT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(-c2nc3cc(O)c(O)c(O)c3c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAEHNJVQYRMTTQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccccc2O)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUCILQOTHBIKY-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2cccc(F)c2F)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSFUDWZVQUANBS-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(F)cc2F)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIGLFHOHTJYEQB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(F)c(F)c2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKAPYBUWWOLTKK-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccccc2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZDMMRMGGCZKB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccncc2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMUHPXKRBRRPB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc3ccccc3c2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDXVJYPFMLWTA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(C2CC2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQDMDNNSBOIETP-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(C2CCCC2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYFNBXYDHVULGM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(C2CCCCC2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLFBHGHTFECNO-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2cc(O)c(O)c(O)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGHUSKVQGFFQDZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc2cc(O)c(O)c(O)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOIOFQFSBFPIHY-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2cc(O)c(O)c(O)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUWNTEWUDNRBCP-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1nc2cc(O)c(O)c(O)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAIPDCJLLQBXME-VOTSOKGWSA-N", "SMILES:O=c1[nH]c(/C=C/c2ccccc2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGTTXCRRUUYOJL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(Cc2ccccc2)nc2cc(O)c(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDECCSFBZMURDI-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)c1nc2cc(O)c(O)c(O)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGPEYHUJOPFCS-UHFFFAOYSA-N", "SMILES:CCC(c1ccccc1)c1nc2cc(O)c(O)c(O)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUXYXJTXPBBFL-UHFFFAOYSA-N", "SMILES:CC(C)C(c1ccccc1)c1nc2cc(O)c(O)c(O)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZQQYBRLCSIHRB-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(-c2ccccc2)nc2cc(O)c(O)c(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOCWSIHQACDCKI-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOCDZSKFLONADN-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)Cn1c(-c2ccccc2)nc2cc(O)c(O)c(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRVVOUNPPPSHGQ-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBKUVNSQKRRMGW-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVARPHUXDCRCTR-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPMYLKONYDRLR-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQZLVIVLRSMLED-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZEOPBMLCXJSCK-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCJZXPAMXQYDV-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVDYZBQXTXPYJZ-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1-c1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTJSOMARXLSDFD-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2c(-c3ccccc3)nc3cc(O)c(O)c(O)c3c2=O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEPJJYXAKSBPIV-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1-c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXWCNHUNLSBNN-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPYEVBRAZJSLP-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(-c2ccccc2)n1-c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JETAYLFAWVMMQI-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)c1nc2cc(O)c(O)c(O)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYACPSUEAXOOJA-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2c(C(C)c3ccccc3)nc3cc(O)c(O)c(O)c3c2=O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRYQOOJANAQPRA-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)c1nc2cc(O)c(O)c(O)c2c(=O)n1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTLDOPSKFATNS-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)c1nc2cc(O)c(O)c(O)c2c(=O)n1-c1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKRKOMXJYGVMES-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(C(C)c2ccccc2)nc2cc(O)c(O)c(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRYHXKCLNUWHHB-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2cc(O)c(O)c(O)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIVKNKDXEMYPEQ-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2cc(O)c(O)c(O)c2c(=O)n1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZPIZTYHLRGZPR-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2c(CC(C)C)nc3cc(O)c(O)c(O)c3c2=O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVIMNSGFJXLOGD-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc2cc(O)c(O)c(O)c2c(=O)n1-c1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNDFZAXWUWXHL-UHFFFAOYSA-N", "SMILES:O=c1c2c(O)c(O)c(O)cc2nc(Cc2ccccc2)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APMHTYDRRIVKNO-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2c(Cc3ccccc3)nc3cc(O)c(O)c(O)c3c2=O)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHQNZJSKHFHFV-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(Cc2ccccc2)nc2cc(O)c(O)c(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRSTWHEHKQRBJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOEOYYHTDHZDST-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1nc(Cc2ccccc2Cl)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVIMYIWEZWQKEC-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1nc(Cc2ccccc2Cl)oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIUMUBYBNXBZOU-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN(Cc1ccccc1)c1nnc(NC(=O)c2ccccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJGVFANTDWUEG-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(C)(C)O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKFRTLJTJHCXEK-VOTSOKGWSA-N", "SMILES:O=c1[nH]c(N2CCCCC2)nc2nccc(/C=C/c3ccco3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXEWXBNKLWIBQK-UHFFFAOYSA-N", "SMILES:CCOc1nc(NC(CO)c2ccco2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPKAQYNJDJHRO-UHFFFAOYSA-N", "SMILES:Cc1nnsc1C(=O)Nc1nc2c(s1)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGLIYKWGUXHPPZ-UHFFFAOYSA-N", "SMILES:N#CC1(C(=O)Nc2nc3ccc(F)cc3s2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBKUAONBCIUMO-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2cnn(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKDFLYIBJNBKN-UHFFFAOYSA-N", "SMILES:c1cncc(CNc2ncc(-c3ccncc3)c(-c3cccs3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJCKSIEJYZVDY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2[nH]c(N(CCO)CCO)nc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHHIVKKZGCGTH-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2c(s1)Cc1ccccc1-2)C12CC3CC(CC1C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJLXOLQDZZOEN-UHFFFAOYSA-N", "SMILES:CC1(CNc2ncc(-c3ccncc3)c(-c3cccs3)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1587915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPMWIVBLLPUGOQ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJULLZMAOHKKA-UHFFFAOYSA-N", "SMILES:O=C(Nc1noc(-c2ccccc2)n1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMNOXVCEYBBDR-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nc(N3CCCCC3)c3nccnc3n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1460863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAESXNPBEDJXJH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(C)c3cc4c(cc3n2)OCO4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUFVEVTLHFLKW-UHFFFAOYSA-N", "SMILES:O=C(CC1CCCC1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOVMYPCBXFKPAS-UHFFFAOYSA-N", "SMILES:CC(C)N1CC(C(=O)Nc2nc3ccccc3[nH]2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXICZAUTBOBMMU-UHFFFAOYSA-N", "SMILES:CC(=O)NC(CC(=O)Nc1nc(C(C)=O)cs1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COTLJEXBOWYMNF-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)N(CCO)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADSFDBMECJNMV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(C2CC2)cs1)C1COc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNHCQHYRCOCIKY-UHFFFAOYSA-N", "SMILES:CC(Sc1nnc(C(C)C)[nH]1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCRWBUTLRGUFH-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C(=O)Nc3cnc4n3CCCC4)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZUULCDQIMFQPI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2n1CCCC2)c1cn2cc(Cl)cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGLYLAPQNQHIK-UHFFFAOYSA-N", "SMILES:COCC(O)CNc1ncc(C)c(-c2ncnn2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSBHTTZUQYFBE-UHFFFAOYSA-N", "SMILES:CCc1c(C)coc1C(=O)Nc1nc2c(s1)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYFFIFDJCYSFME-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWIWAGIMYMIYCW-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJXUOOPSGAIGM-UHFFFAOYSA-N", "SMILES:CC1(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)CC=CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRISXDIGSQKKX-UHFFFAOYSA-N", "SMILES:CCC1(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJROJQIDYLDCN-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1nc2c(s1)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYVBIMWVEHSHSC-UHFFFAOYSA-N", "SMILES:CC1(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMYYMHKBYRESHL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2c(s1)Cc1ccccc1-2)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKQFOSVNKBHLAE-UHFFFAOYSA-N", "SMILES:COC1(OC)CC(C)(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTKBLNFTGNBFG-UHFFFAOYSA-N", "SMILES:C=C1CCC(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEIAKHUQMHJYCA-UHFFFAOYSA-N", "SMILES:CC1(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALBTZXPZXAXERB-UHFFFAOYSA-N", "SMILES:CC1(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)CCC(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWNFFMBIXMEGN-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2c(s1)Cc1ccccc1-2)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZIBIAJBPNVGR-UHFFFAOYSA-N", "SMILES:CC(C)(CNc1ncc(-c2ccncc2)c(-c2cccs2)n1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEXCYEICYVKQJU-UHFFFAOYSA-N", "SMILES:CC1(CNc2ncc(-c3ccncc3)c(-c3cccs3)n2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRYDFCOYFESMC-UHFFFAOYSA-N", "SMILES:CCC1CCC(CNc2ncc(-c3ccncc3)c(-c3cccs3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISZHGOWRKUXBIE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(Nc2ncc(-c3ccncc3)c(-c3cccs3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXZRMVZCAJIQNQ-UHFFFAOYSA-N", "SMILES:c1csc(-c2nc(NC3CCC4(CC3)OCCO4)ncc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQFDAVBWOBCAX-UHFFFAOYSA-N", "SMILES:c1csc(-c2nc(NC3CCCCCC3)ncc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFKLHGVZEOJAOO-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLKAWBRPZDNBE-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIXZJVEBHKRFK-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)c2ccc(C)c(-c3cnc(N)nc3)c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVIYPFVEPOGEX-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc3c(c2)CCN3)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBJWNUJFYCRBB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc3c(c2)CCN3)cc1-c1ccc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLEAYODCNOMALG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc3c(c2)CCN3)cc1-c1ccc2n[nH]cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGAMVIANFZTGB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc3c(c2)CCN3)cc1-c1cnc2n[nH]cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTCUUDYAHLWSR-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1ccc(-c2cc(S(=O)(=O)c3ccc4c(c3)CCN4)ccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUDGRGWTRYQKP-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(C)c(-c3cnc(N)nc3)c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUFMDXROQCUFKW-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)Nc2ccc(C)c(-c3cnc(N)nc3)c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCLIFDKUYOKSZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHQGTBJSWOTGN-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1-c1cnc(N)nc1)S(=O)(=O)c1ccc(C(N)=O)cc1CC2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTIUUTFGOFCEOP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc3c(c2)CCN3C)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXTSZWUNTGFVLX-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc3c(c2)CCO3)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBOAPBZHOXSPEK-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOKSUYSVMIDBB-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc3[nH]ncc3c2)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHNGTGPAHKCFPJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc3c(c2)CNC3=O)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRUHSUKFUQREEJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc3c(c2)CCNC3=O)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZVTYMWWILRTF-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)c2ccc(C)c(-c3cnc(N)nc3)c2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWRVZHCIVCFOY-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)cc(S(=O)(=O)c2ccc(C)c(-c3cnc(N)nc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVZXNWVJQAIKG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc(N)cc2C(F)(F)F)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQXATLSKAABEAM-UHFFFAOYSA-N", "SMILES:CCNc1ccc(S(=O)(=O)c2ccc(C)c(-c3cnc(N)nc3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTZCDAIJLGWNU-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)c2cccc(-c3cnc(N)nc3)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRRCWPPZMSJDR-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)c2ccc(C)c(-c3cnc(N)nc3)c2)c(C(F)(F)F)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPHFINDHZOMUOB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2ccc(N)cc2C(F)(F)F)cc1-c1cnc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFWRIPQKHTZZIQ-GHXNOFRVSA-N", "SMILES:CCOC(=O)C(C)N1C(=O)S/C(=C\\c2ccc(O)c(O)c2)C1=O"]}
{"name": "BAG family molecular chaperone regulator 3", "xref": ["CHEMBL.TARGET:CHEMBL5465257"], "id": "UniProtKB:O95817", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBJIPZBCYNPBG-JYRVWZFOSA-N", "SMILES:O=C(CN1C(=O)S/C(=C\\c2ccc(O)c(O)c2)C1=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTGAZJYYYCHPKE-JYRVWZFOSA-N", "SMILES:CCOC(=O)C(C1CC1)N1C(=O)S/C(=C\\c2ccc(O)c(O)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIRHCOAPZBSPH-WJDWOHSUSA-N", "SMILES:CCOC(=O)C(c1ccccc1)N1C(=O)S/C(=C\\c2ccc(O)c(O)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CURKCFVYKXHRBI-JYRVWZFOSA-N", "SMILES:CCOC(=O)C(CC)N1C(=O)S/C(=C\\c2ccc(O)c(O)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVTKMSGQGBDCGF-WDZFZDKYSA-N", "SMILES:O=C1OCCC1N1C(=O)S/C(=C\\c2ccc(O)c(O)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZUWUQLNUAQCA-GDNBJRDFSA-N", "SMILES:CC(C(=O)N1CCCCC1)N1C(=O)S/C(=C\\c2ccc(O)c(O)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJNBCXIBJEAJU-WJDWOHSUSA-N", "SMILES:CC(C(=O)N1CCC2(CC1)OCCO2)N1C(=O)S/C(=C\\c2ccc(O)c(O)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTOMVUUOOVBBDA-QPEQYQDCSA-N", "SMILES:CCOC(=O)C(C)N1C(=O)S/C(=C\\c2ccc3[nH]ncc3c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZAJMYYDCMDML-QPEQYQDCSA-N", "SMILES:CCOC(=O)C(C)N1C(=O)S/C(=C\\c2ccc3cn[nH]c3c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSEFVOKDXOSZFW-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1csc(Oc2ccc(O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANOOPRVSRTUHMY-GHXNOFRVSA-N", "SMILES:CCOC(=O)C(C)N1C(=O)S/C(=C\\c2ccc(Cl)c(O)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEUXYZLNFNDMQG-WDZFZDKYSA-N", "SMILES:CCOC(=O)C(C)N1C(=O)S/C(=C\\c2cc(Cl)c(O)c(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXQWTLAMDHXLPR-JXAWBTAJSA-N", "SMILES:CC(C(=O)N1CCOCC1)N1C(=O)S/C(=C\\c2ccc(N3CCOCC3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJITVGQMCOZBC-LCYFTJDESA-N", "SMILES:CC(C(=O)N1CCOCC1)N1C(=O)S/C(=C\\c2cccc(O)c2O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYLJNROZPJNSS-JXAWBTAJSA-N", "SMILES:CC(C(=O)N1CCOCC1)N1C(=O)S/C(=C\\c2ccc(N3CCCC3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXWDWIMFQVWHGG-QPEQYQDCSA-N", "SMILES:CCOC(=O)C(C)N1C(=O)S/C(=C\\c2ccc3[nH]cnc3c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDUGGIJECALWLH-WDZFZDKYSA-N", "SMILES:CCOC(=O)CN1C(=O)S/C(=C\\c2ccc(O)c(O)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLVYCWXAPPBIQ-ZCGZUOIRSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@]3(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLVYCWXAPPBIQ-YILQRMSXSA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@@]3(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEXQWYGOKQWIGM-YZGZBPNOSA-N", "SMILES:CC[C@@]1(O)C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMIIJFBVHEICF-ZKALYJGSSA-N", "SMILES:CCC[C@@]1(O)C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSOJFRSTCSXOJ-WVAMBBLPSA-N", "SMILES:CCCC[C@@]1(O)C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJIXHWWMIVZFS-YZGZBPNOSA-N", "SMILES:C=C[C@@]1(O)C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJWFFVBLSQIPEE-ZKALYJGSSA-N", "SMILES:C=CC[C@@]1(O)C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIYFLEDGPYFTAV-SVNHHERDSA-N", "SMILES:CCCC[C@]1(O)[C@@H]2[C@H](C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@H]2[C@H]1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZHNFLHDHLLRG-WKZZHUGKSA-N", "SMILES:C[C@H](C[C@H](C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSEUXDURDLCFJP-OIZSKWIUSA-N", "SMILES:CC[C@@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOYQKGWXDJQMQ-TVOMGIAASA-N", "SMILES:C=CC[C@@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTKJYVVNLOQQG-SHXZSPBBSA-N", "SMILES:C[C@H](C[C@H](Cc1ccccc1)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKDDFJQZKGAQEM-WLYDTMPLSA-N", "SMILES:CO[C@@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAAUSBFPCCBIKT-FHAGEWQDSA-N", "SMILES:C[C@H](CC(F)(F)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMMUKEJAZXQMDF-NQJBNQJPSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@@H]2[C@H](C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CC(F)(F)C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQLOGVMJSMLIS-KRCLQQRCSA-N", "SMILES:C=C(C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOYQKGWXDJQMQ-WBYPBBSPSA-N", "SMILES:C=CC[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKDDFJQZKGAQEM-RHBSABBPSA-N", "SMILES:CO[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHUVDYKCYBWLR-MHNNMFPASA-N", "SMILES:C[C@H](C[C@H](F)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHUVDYKCYBWLR-SWSYAYITSA-N", "SMILES:C[C@H](C[C@@H](F)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHCGDAFIWWCKGM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cc(O)cc(F)c2)cc([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMAQUTNXWDSUCP-UHFFFAOYSA-N", "SMILES:CN(CCOCCN1c2ccccc2Sc2ccccc21)C(CCO)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMGFBSYUJBWOZ-UHFFFAOYSA-N", "SMILES:CN(CCOCCN1c2ccccc2Sc2ccccc21)C(CCO)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNNHVJPKFYOOR-UHFFFAOYSA-N", "SMILES:CN(CCOCCN1c2ccccc2Sc2ccccc21)C(CCO)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSRRATHPYWJBJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CCO)N(C)CCOCCN2c3ccccc3Sc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNUHTBUXQXDBB-UHFFFAOYSA-N", "SMILES:CN(CCOCCN1c2ccccc2Sc2ccccc21)C(CCN)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHPOZYSNXJXRBZ-UHFFFAOYSA-N", "SMILES:CN(CCOCCN1c2ccccc2Sc2ccccc21)C(CCN)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJZMHJFOROAIK-UHFFFAOYSA-N", "SMILES:CN(CCOCCN1c2ccccc2Sc2ccccc21)C(CCN)C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBYUTIVVJPVTAS-UHFFFAOYSA-N", "SMILES:CN(CCOCCN1c2ccccc2Sc2ccccc21)C(CCN)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGBPBKNNJPNGRN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CCN)N(C)CCOCCN2c3ccccc3Sc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSMZJMFRZFCBIE-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccccc1)N(C)CCOCCN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZNWMQOXRMFOA-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccccc1Cl)N(C)CCOCCN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBTVFDCJXRLIMO-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccc(Cl)cc1)N(C)CCOCCN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPLUDDZZLTXBHC-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccc(F)cc1)N(C)CCOCCN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKUDZYRTMNWLKT-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(C(=O)NCc1ccc(C)cc1)N(C)CCOCCN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWVPGBULXLHTTA-UHFFFAOYSA-N", "SMILES:CN(CCOCCn1c2ccccc2c2ccccc21)C(CCO)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLLRNTLWDWNCCD-UHFFFAOYSA-N", "SMILES:CN(CCOCCn1c2ccccc2c2ccccc21)C(CCO)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVRKVPNGSFWTB-UHFFFAOYSA-N", "SMILES:CN(CCOCCn1c2ccccc2c2ccccc21)C(CCO)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQLOWOEIZDYQR-UHFFFAOYSA-N", "SMILES:CN(CCOCCn1c2ccccc2c2ccccc21)C(CCN)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLLISGWDUXVNJ-UHFFFAOYSA-N", "SMILES:CN(CCOCCn1c2ccccc2c2ccccc21)C(CCN)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPHJCXAVMJWFRY-UHFFFAOYSA-N", "SMILES:CN(CCOCCn1c2ccccc2c2ccccc21)C(CCN)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWOAKQPAPPKCQD-LICLKQGHSA-N", "SMILES:CN(CC/C=C/c1ccccc1-c1ccccc1)C(CO)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPINBUVFRVILJC-NTEUORMPSA-N", "SMILES:CN(CC/C=C/c1ccccc1-c1ccccc1)C(CO)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLFCWKOBGHTBLK-KPKJPENVSA-N", "SMILES:CN(CC/C=C/c1ccccc1-c1ccccc1)C(CO)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXIPDDGLJYYMCA-WOJGMQOQSA-N", "SMILES:CC(O)CC(C(=O)NCc1ccccc1)N(C)CC/C=C/c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PONSBHSNGKVFRZ-XNTDXEJSSA-N", "SMILES:CC(O)CC(C(=O)NCc1ccccc1Cl)N(C)CC/C=C/c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNFOZDODHPSRBK-MDWZMJQESA-N", "SMILES:CC(O)CC(C(=O)NCc1ccc(F)cc1)N(C)CC/C=C/c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQYNXCWNQOZLMM-KPKJPENVSA-N", "SMILES:CN(CC/C=C/c1ccccc1-c1ccc(Cl)cc1Cl)C(CCN)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSATYTMYQAUJGT-UHFFFAOYSA-N", "SMILES:CN(CCC=C(c1ccccc1)c1ccccc1)C(=O)C1Cc2c([nH]c3ccccc23)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVOGODZPDUDEIC-KPKJPENVSA-N", "SMILES:CN(CC/C=C/c1ccccc1-c1ccc(Cl)cc1Cl)C(CCO)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLBBUVOJZCVFP-UHFFFAOYSA-N", "SMILES:CN(CCOCCN1c2ccccc2Sc2ccccc21)C(CCO)C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLLJTIVLTYPCTK-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2C=Cc2ccccc21)C(CO)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJVVYAQYJIRGKI-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2C=Cc2ccccc21)C(CO)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCUSODZXLMWOTH-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2C=Cc2ccccc21)C(CO)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGRUJXYNNOKTJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CO)N(C)CCC=C2c3ccccc3C=Cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YASYIMGWFQETDN-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2C=Cc2ccccc21)C(CO)C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLHAZUUBBYTCD-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C(CO)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCXHYNBTARZTB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C(CO)N(C)CCC=C2c3ccccc3CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKPDRKVMJHDNEY-UHFFFAOYSA-N", "SMILES:CN(CCC=C1c2ccccc2CCc2ccccc21)C(CO)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOVIREXTTWWVLT-WUXMJOGZSA-N", "SMILES:O=C(O)C1=CN(CC/C=C/c2ccccc2-c2ccccc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGISECANGAYRK-XVNBXDOJSA-N", "SMILES:O=C(O)C1=CN(CC/C=C/c2ccccc2-c2ccc(Cl)cc2Cl)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1190271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQANFEQCHHCOAG-QGZVFWFLSA-N", "SMILES:O=C(O)[C@@H]1CCCN(CCOCCN2c3ccccc3Sc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZIIVGAEDLVIH-UHFFFAOYSA-N", "SMILES:CN(CCC=C(c1ccccc1)c1ccccc1)C(CN)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCDKQTULBVWML-UHFFFAOYSA-N", "SMILES:CN(CCC=C(c1ccccc1)c1ccccc1)C(CO)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFXBXMZWZDKQF-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)NCCOCCN1c2ccccc2Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYXPOGAGMNERM-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2c(=O)c(-c3ccccc3OC)c(C)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTXXGPIMMFJAA-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2c(=O)c(-c3cccc(OC)c3)c(C)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUYXZDJNUNANTH-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUIGCIWHXPYII-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRHWLJAEKABRDN-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2c(=O)c(-c3cccc(OC)c3)c(C(F)(F)F)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBXNRKWLHWNKV-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2c(=O)c(-c3ccc(OC)cc3)c(C(F)(F)F)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJRFAMIGXLGHR-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(=O)c(-c3ccccc3OC)c(C)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJWBIKQSBTFGO-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(=O)c(-c3cccc(OC)c3)c(C)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSWINKPUDYCBDR-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDAOFIQCIATCW-UHFFFAOYSA-N", "SMILES:CCc1cc2c(=O)c(-c3ccccc3OC)c(C)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCJHVPNSZTUCB-UHFFFAOYSA-N", "SMILES:CCCCc1cc2c(=O)c(-c3ccccc3OC)c(C)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIFBQCCJTYNFD-UHFFFAOYSA-N", "SMILES:CCCCCc1cc2c(=O)c(-c3ccccc3OC)c(C)oc2cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFIJAAWCKYUAP-UHFFFAOYSA-N", "SMILES:CCCCCCC(=O)Oc1cc2oc(C)c(-c3cccc(OC)c3)c(=O)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLEMTZCAYVJNFV-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(=O)c(-c3ccccc3OC)c(C)oc2cc1OC(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1329101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTVYKXJCQENKW-UHFFFAOYSA-N", "SMILES:CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2cc1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5419063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDASCSKQKHQGP-UHFFFAOYSA-N", "SMILES:CCCCCCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2cc1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1424418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMVYIRIDKEFSM-UHFFFAOYSA-N", "SMILES:Cc1oc2cc(OC(=O)c3ccco3)ccc2c(=O)c1-c1nc2ccccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1388022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUHNSEPBGTTZQI-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1491706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSSOKXPOXOMGAM-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1c(C(F)(F)F)oc2cc(OC(=O)c3ccco3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDWHCIVWIRKCC-UHFFFAOYSA-N", "SMILES:CC(C)n1c(NCC(O)COc2ccc(CC#N)cc2)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJNYQGKUTXAHL-UHFFFAOYSA-N", "SMILES:Cn1c(NCC(O)COc2ccc(CC#N)cc2)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORYZKDFWAYTOLQ-UHFFFAOYSA-N", "SMILES:CCn1c(NCC(O)COc2ccc(CC#N)cc2)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZETYIJAKZPSIW-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1c(NCC(O)COc2ccc(CC#N)cc2)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULDCVJAIAOQNH-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(OCC(O)CNc2nc3ccc(Cl)cc3n2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPAGVRSGLYLZJT-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(OCC(O)CNc2nc3ccc(Cl)cc3n2C2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSHZEMCCWQHIY-UHFFFAOYSA-N", "SMILES:CC(C)n1c(NCC(O)COc2ccc(CC#N)cc2F)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYQWVVWAWGOZKJ-UHFFFAOYSA-N", "SMILES:CC(C)n1c(NCC(O)COc2ccc(CC#N)c(F)c2)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCRDZUXHLAMCH-UHFFFAOYSA-N", "SMILES:COCCn1c(NCC(O)COc2ccc(CC#N)cc2)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFFOXBYXPGVAMH-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(OCC(O)CNc2nc3ccc(Cl)cc3n2CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCZIDQMQPAEJE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C[Se]c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZROEFQJTPGYDS-UHFFFAOYSA-N", "SMILES:CC([Se]c1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGXOOSXRVJDRCY-UHFFFAOYSA-N", "SMILES:CCC([Se]c1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBLVXOBQEWFSSM-UHFFFAOYSA-N", "SMILES:CCCC([Se]c1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCSCXRIYYGOBN-UHFFFAOYSA-N", "SMILES:CCCCC([Se]c1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRJTAUTZFDJOA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C(C)(C)[Se]c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXPHPCSIWBOGX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCC[Se]c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMQTCWGULGUII-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c([Se]C(C)c2nc(N)nc(N3CCN(C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTGXDOSLVFPCIV-UHFFFAOYSA-N", "SMILES:CCC([Se]c1cc(C)ccc1C)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOHIKYYTCQMZSF-UHFFFAOYSA-N", "SMILES:CCCC([Se]c1cc(C)ccc1C)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWYIGWBADKYRQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c([Se]C(C)(C)c2nc(N)nc(N3CCN(C)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNGYGWNHBTIFR-UHFFFAOYSA-N", "SMILES:CCCC([Se]c1cc(Cl)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBLBVXAMGPEBFJ-UHFFFAOYSA-N", "SMILES:CC([Se]c1cccc2ccccc12)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYKFBQKHUJCFU-UHFFFAOYSA-N", "SMILES:CCC([Se]c1cccc2ccccc12)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFZGXVAUNZPJZ-UHFFFAOYSA-N", "SMILES:CC([Se]c1ccc2ccccc2c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRHTUMAXWWLASB-UHFFFAOYSA-N", "SMILES:CCC([Se]c1ccc2ccccc2c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZEGGJUBCUBYAM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C(C)(C)[Se]c3ccc4ccccc4c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAEJJMMPQBTBEI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C[Se]Cc3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRFMCSXAMLDOGD-UHFFFAOYSA-N", "SMILES:CC([Se]Cc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBURNHVADOXDL-UHFFFAOYSA-N", "SMILES:CCC([Se]Cc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPVLKKJXKKJFTC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCC[Se]Cc3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHNWRIQMDLAOA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C(C)(C)Oc3ccc4ccccc4c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27673", "category": ["biolink:ChemicalEntity"], "name": "METHOCTRAMINE", "xref": ["InChIKey:RPMBYDYUVKEZJA-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL364005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPGPYJBCVXILI-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYIBORKSLBZQA-UHFFFAOYSA-N", "SMILES:C=CCNCC(=O)N1CCc2sccc2C1COc1ccc(Cl)cc1"]}
{"name": "Protein-cysteine N-palmitoyltransferase HHAT", "xref": ["CHEMBL.TARGET:CHEMBL4296243"], "id": "UniProtKB:Q5VTY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEENEMOEBJOKGN-UZLBHIALSA-N", "SMILES:CC[C@@H](C)CNCC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXFYCEXTSBQTDQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2sccc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVJMIBPABBWHW-VPHXOMNUSA-N", "SMILES:C[C@H](N)C(=O)N1CCc2sccc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKXZXKDJLKNOR-UHFFFAOYSA-N", "SMILES:C=CCNCC(=O)N1CCc2sccc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGEQACCLMBXBRY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCc2sccc2C1c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELBRTWQUYGMIQ-UHFFFAOYSA-N", "SMILES:CCC(C)CNCC(=O)N1CCc2sccc2C1c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPUXUIZUWSOPH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2sccc2C1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNTWIFVBKRBRBC-UHFFFAOYSA-N", "SMILES:CCC(C)CNCC(=O)N1CCc2sccc2C1c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYDVTZLNWBWMY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2sccc2C1c1cccc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOIGHSNTIJBPW-UHFFFAOYSA-N", "SMILES:CCC(C)CNCC(=O)N1CCc2sccc2C1c1cccc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOIGHSNTIJBPW-PVCZSOGJSA-N", "SMILES:CC[C@H](C)CNCC(=O)N1CCc2sccc2C1c1cccc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUGAMKQXDOHDJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2c3ccsc3CCN2C(=O)CNCC(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYSJTDVWWAQNPA-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2c3ccsc3CCN2C(=O)CNCCC(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLIOSXGFMKVLF-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2c3ccsc3CCN2C(=O)NCCCC(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYDVTZLNWBWMY-OAHLLOKOSA-N", "SMILES:CC(=O)N1CCc2sccc2[C@@H]1c1cccc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUGAMKQXDOHDJ-LJQANCHMSA-N", "SMILES:Cc1cccc([C@H]2c3ccsc3CCN2C(=O)CNCC(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKZUAJGHAGPGIK-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1c2ccsc2CCN1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZCLLLYMBLATC-UHFFFAOYSA-N", "SMILES:CCC(C)CNCC(=O)N1CCc2sccc2C1c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQBXLGTZQDEUJV-UHFFFAOYSA-N", "SMILES:CCC(C)CNCC(=O)N1CCc2sccc2C1c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHLGZYZIWAHDY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2ccccc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCFTZRBIURNFMU-UHFFFAOYSA-N", "SMILES:CCC(C)CNCC(=O)N1CCc2ccccc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVNDFLPALAYNQ-UHFFFAOYSA-N", "SMILES:CC(C)CNCC(=O)N1CCc2ccccc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVNDFLPALAYNQ-NRFANRHFSA-N", "SMILES:CC(C)CNCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRBDPNQPUVTHFM-UHFFFAOYSA-N", "SMILES:CCC(C)CNCC(=O)N1CCc2ccc(Cl)cc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLINPWHYAAQECL-UHFFFAOYSA-N", "SMILES:CC(=S)N1CCc2sccc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3646117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWQQDVNGHZIALS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZHOJONZJQARN-UHFFFAOYSA-N", "SMILES:O=C(O)c1c[nH]c2c(ccc3cccnc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3186774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAOSCCRYLYQBES-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4163812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVTKJBXOBFRPLQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZOKTKSGUOCCM-LLVKDONJSA-N", "SMILES:CCCCCCCCOC(=O)[C@H](O)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4877741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIXSLPEABAEHP-UHFFFAOYSA-N", "SMILES:COC(=O)CCC(=O)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556489", "category": ["biolink:ChemicalEntity"], "name": "DIMETHYL SUCCINATE", "xref": ["InChIKey:MUXOBHXGJLMRAB-UHFFFAOYSA-N", "SMILES:COC(=O)CCC(=O)OC"], "chembl_natural_product": true}
{"name": "Methylcytosine dioxygenase TET1", "xref": ["CHEMBL.TARGET:CHEMBL5465312"], "id": "UniProtKB:Q3URK3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Methylcytosine dioxygenase TET2", "xref": ["CHEMBL.TARGET:CHEMBL5465314"], "id": "UniProtKB:Q4JK59", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFMDVQUGFYVGS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2=CC(c3ccccc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1417021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFTCFBBVIOYNJQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2=CC(c3ccc(F)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAMAPKNMNKLJGK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2=CC(c3ccc(Br)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXULHRZVOJNSLM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2=CC(c3ccc(C(F)(F)F)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHDJQHSRHVCNIF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2=CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQLAYXHLNAZBOA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2C=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWPYIUMZAKJOT-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C2C=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMAMZFVLABRRZ-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(C2C=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCOFTLHQOGHBV-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C2C=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIPKBYBNIVYTBX-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1C=C(Nc2ccc(S(N)(=O)=O)cc2)C(=O)N1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIXSMFGGXZVOF-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPJANIOFXYDOC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(C2C=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)O2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONKCUILMOYKXKT-UHFFFAOYSA-N", "SMILES:COc1ccc(O)c(C2C=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAZNNIPXYUKZQQ-UHFFFAOYSA-N", "SMILES:COc1cc(C2C=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXJMRSTMBBDNC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIIKHHHBXHMHY-UHFFFAOYSA-N", "SMILES:COc1cc(C2C=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFRQBHZOCGBWDS-RMKNXTFCSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2=CC(/C=C/c3ccccc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIQRJKTATWBIT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2=CC(c3ccco3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEPZQARHHYAPAJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2=CC(c3ccc4c(c3)OCO4)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISIIVPLDFJSBJM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CN(C)C)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFELUGXGSGGFAH-UHFFFAOYSA-N", "SMILES:CCCN(C)Cc1cn(-c2ccnc(Nc3cc(C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)n2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFKHPEXBVOBAQF-UHFFFAOYSA-N", "SMILES:CCCNCc1cn(-c2ccnc(Nc3cc(C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)n2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXEBRFBENZFFIR-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNCCO)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWKEYXXXXCGIL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNCCCO)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWIVQDCVQFOGKO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNCCCCO)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBGCSMIUHIZHAB-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNC(C)CO)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVOSGYOUZEUGI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNC(CO)C(C)C)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBGCSMIUHIZHAB-AREMUKBSSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CN[C@H](C)CO)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBGCSMIUHIZHAB-SANMLTNESA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CN[C@@H](C)CO)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUTWNFGJCDSFB-UHFFFAOYSA-N", "SMILES:COCCNCc1cn(-c2ccnc(Nc3cc(C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)n2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQVGIBXACEQPD-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNC3CCC(O)CC3)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDPYHZPGRMPVMO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNC3CCC(OC)CC3)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMHEUAUZOKDSI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)c(C)cc1Nc1nccc(-n2cc(CNC(C)CO)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCBURQCELLURFJ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)c(C)cc1Nc1nccc(-n2cc(CNC(C)CO)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPAKPJLOLUCESS-UHFFFAOYSA-N", "SMILES:CCOc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNC(C)CO)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHCFTZKMFCVJCN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nccc(-n3cc(CNC(C)CO)c(-c4ccccc4)n3)n2)c(OC(C)C)cc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTTMGKWFEQNITN-GKCIPKSASA-N", "SMILES:CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1c(F)c(F)cc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEDKICWJWECCI-JQFCIGGWSA-N", "SMILES:CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOHPOWAXYYVQNB-JQFCIGGWSA-N", "SMILES:O=C(Nc1ccccc1F)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXXDGDQPBHPSPY-IICXDKKESA-N", "SMILES:CC(C)(C)NC(=O)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDSXCXQXESCXAK-BWJWTDLKSA-N", "SMILES:CC(C)(C)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJXTPAQJOEGNU-KKUMJFAQSA-N", "SMILES:CC(C)CC(=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPXLMRTZZLBCW-JALMUYFWSA-N", "SMILES:CC(C)/C=C/C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYPUIWPZPTQLW-KKUMJFAQSA-N", "SMILES:CC1(C)CC(O)(C(=O)N2CC3(CC3)C[C@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)COC(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPTMCRMLIQJSPU-AVGNSLFASA-N", "SMILES:CC(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQPXHVQRXNZRY-SRVKXCTJSA-N", "SMILES:CC(C)C[C@H](NC(=O)C(=O)NCC(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQNEZXZIDKMQX-VQKUPRHXSA-N", "SMILES:CC(C)C[C@H](NC(=O)C(=O)NC12CC(F)(C1)C2)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJTAZCXCGFHKCN-IHRRRGAJSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc(C(C)(C)F)on1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHUWUAKBAJPTM-RZLSGREXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGLSLKSJBOABR-JQFCIGGWSA-N", "SMILES:CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLPUUUDQOULDZ-AIEDFZFUSA-N", "SMILES:CC(C)C[C@@H](O)C(=O)N1C[C@H](C(F)(F)F)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTCAMZPTBRHGIT-YHUYYLMFSA-N", "SMILES:CC(C)C[C@@H](O)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTNHWNDLTRSNIF-XTEPFMGCSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(O)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBCFCOHYZDIYSL-XTEPFMGCSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(OC)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYKMGIQWNEFOM-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDIVBXPMMCJMJP-LBNVMWSVSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEDXTOYVWWVDV-URLMMPGGSA-N", "SMILES:COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIJJUSRSAABBX-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVVXDFTZAHOHRB-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMLZKGEEGPDAR-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEGGMCQOWMOCW-XTEPFMGCSA-N", "SMILES:COc1cc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDWXVHOZBTSTH-XTEPFMGCSA-N", "SMILES:COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXKJYINSUYECX-WUFINQPMSA-N", "SMILES:COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJAPBPKANWPAW-LBNVMWSVSA-N", "SMILES:CSc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGXOICMTTXBDAR-URLMMPGGSA-N", "SMILES:COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYPYUHDECMPQS-WUFINQPMSA-N", "SMILES:CSc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKQDQOQHJYCHNS-URLMMPGGSA-N", "SMILES:COc1cccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOPISBKKKVDXOY-WUFINQPMSA-N", "SMILES:CSc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2cccc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYFNHUHRVOCLR-AZGAKELHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(O)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQASOBGNSCXTQP-AZGAKELHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(OC)c(O)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHXINDNGUCAJOU-IZZNHLLZSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(OC)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHRXBDYCOCVUNU-JYFHCDHNSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(O)c(O)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGPZHBAUVBFPV-RRPNLBNLSA-N", "SMILES:COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XALZBUSDVMZUDE-IZZNHLLZSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(O)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNGHMRQJTZNPI-RRPNLBNLSA-N", "SMILES:COc1cccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFPZVFOVXSWKV-IZZNHLLZSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2cccc(O)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHTYVCZYGVTNAO-AHKZPQOWSA-N", "SMILES:COc1cc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCAKNCMKMHIKL-AHKZPQOWSA-N", "SMILES:COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSYLEIOAHHNXEV-RRPNLBNLSA-N", "SMILES:COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJNJLMNPQCDRB-RPLLCQBOSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUCDEASTKYHMQ-WUFINQPMSA-N", "SMILES:COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZRWLAZFABAZOD-RRPNLBNLSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEHGVDTZUHTLG-WUFINQPMSA-N", "SMILES:COc1cccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQIZNFRJIDGOSS-RRPNLBNLSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc(O)c1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRAGOABOIDARO-NRFANRHFSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cccc(C(=O)N6CCOCC6)c5)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUONHZJRPCMFI-QFIPXVFZSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2ccnc3[nH]c(-c4cc(C)n(-c5cccc(C(=O)N6CCOCC6)c5)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKVODUVMGQDQHC-NRFANRHFSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Cl)cnc3[nH]c(-c4cc(C)n(-c5cccc(C(=O)N6CCOCC6)c5)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LADDIBHPOZPBQV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(Nc4cccc(S(N)(=O)=O)c4)c(Br)cnc3[nH]2)c(C)n1-c1cccc(C(=O)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMLPSYWHXUJGZ-NRFANRHFSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5ccc(C(=O)N6CCOCC6)cc5)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWRINZIYPCALKP-NRFANRHFSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5ccc(NC(=O)CN(C)C)cc5C)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEEQCBLBWWDQGB-QHCPKHFHSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5ccc(C(=O)N6CCN(C)CC6)cc5C)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETOSJPFBNIOCP-QHCPKHFHSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cc(C(=O)N6CCN(C)CC6)ccc5C)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPQRWSGQGCFXBM-DEOSSOPVSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cc(NC(=O)CN6CCN(C)CC6)ccc5C)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELACDNSJHLMHB-FQEVSTJZSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cccc(NC(=O)CN(C)C)c5C)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCJRTJNRKOKQT-QFIPXVFZSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cccc(NC(=O)CN6CCOCC6)c5C)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZJMNRCVONRLKU-NRFANRHFSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cccc(C(=O)NCCN(C)C)c5)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYJQSDINALFRV-NRFANRHFSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cccc(C(=O)NCCN(C)C)c5C)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYJDSXORSRPUSN-NRFANRHFSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5ccc(C(=O)NCCN(C)C)cc5)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRAVNWIBZWSUBR-QFIPXVFZSA-N", "SMILES:CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5ccc(C(=O)N(C)CCN(C)C)cc5)c4C)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFBGXTUGODTSPK-BAQGIRSFSA-N", "SMILES:O=C1Nc2ccc3ncsc3c2/C1=C/c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBLLLBJFNYYLS-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2ccc(=O)n3CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDJMQZWWQLHILP-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)ccc2c(NC(=O)NCc3ccc(C(F)(F)F)nc3N3CCC(C)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFVVYNYENFTDJ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2ccc(=O)n3CCOCCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAWRZWSXSYBCPX-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2ccc(=O)n3CC(O)CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXXWBJFWNWASSV-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2ccc(=O)n3CCN)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUMOJAGEPCJZMO-UHFFFAOYSA-N", "SMILES:CC(=O)NCCn1c(=O)ccc2c(NC(=O)NCc3ccc(C(F)(F)F)nc3N3CCC(C)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEULSCPZXFKGIF-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2ccc(=O)n3CCNS(C)(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIVXCLMLYZAEE-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2ccc(=O)n3CCN2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYPSPYUAXYOHJ-UHFFFAOYSA-N", "SMILES:CCCN(CCC)c1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUQKRDISXDPBD-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1N1CCCC1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRALAQGIERBKDB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLGOREHEOOEDMA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2ccccc2)CC1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWGQOHJAUNGQB-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMXOKVLVPOAPCS-UHFFFAOYSA-N", "SMILES:CCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMKHMCZGOSBEC-UHFFFAOYSA-N", "SMILES:CCCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCLQMZICFGNHSS-UHFFFAOYSA-N", "SMILES:CC(C)COc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUNYSVKHKOONDX-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1OCC1CCC1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTMKHQSFEYDDCO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXAYMPHGSSLNP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXDOYHATGPSOO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAXAEFSRYWXSM-UHFFFAOYSA-N", "SMILES:CC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2ccc(=O)n3CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPRSIKZWCMTWKC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYSBCNEQWZQGC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDZPLLOPSZGQK-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2ccc(=O)n3CCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFYUHWRNJYGBGH-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(F)c1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKCHJKWXPYQDRB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSZOWFHHBHWIW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)nn1-c1ccc(F)c(Cl)c1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZJWBORTPRHICU-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)Nc2cccc3c2ccc(=O)n3CCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJNSNHPEQOUSM-UHFFFAOYSA-N", "SMILES:CC(F)(F)c1cc(CNC(=O)Nc2cccc3c2ccc(=O)n3CCO)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCYPSXYSOQGINB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3c2ccc(=O)n3CCO)n(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKIMMNNZVGRQTR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNC(=O)Nc2cccc3c2ccc(=O)n3CCO)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOHPSMLBUIKOO-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(CNC(=O)Nc2cccc3c2ccc(=O)n3CCO)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORZXTYCIUJBFRP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C2CC2)nn1-c1cccc(Cl)c1)Nc1cccc2c1ccc(=O)n2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFSTBNFJYCMQB-UHFFFAOYSA-N", "SMILES:CC1(c2cc(CNC(=O)Nc3cccc4c3ccc(=O)n4CCO)n(-c3cccc(Cl)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRMNHMTMMCLIH-UHFFFAOYSA-N", "SMILES:O=c1cnc(Cc2ccccc2)nn1Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL99946", "category": ["biolink:ChemicalEntity"], "name": "LEVOMILNACIPRAN", "xref": ["InChIKey:GJJFMKBJSRMPLA-DZGCQCFKSA-N", "SMILES:CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN"], "synonym": ["Levomilnacipran", "Levomilnacipran", "Levomilnacipran", "(1s,2r)-milnacipran", "Levomilnacipran", "Milnacipran, (1s,2r)-", "F 2695", "F-2695", "F2695", "Levomilnacipran"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5432445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEJDRJDQIFVYTC-JQWIXIFHSA-N", "SMILES:NC[C@@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBMWPOZHYOBPJJ-JQWIXIFHSA-N", "SMILES:NC[C@@H]1C[C@@H]1c1cc(O)ccc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALNNHFGNPITCHG-ONGXEEELSA-N", "SMILES:CC1(C)Cc2cc(Cl)cc([C@H]3C[C@H]3CN)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQZMSKEPLHAPV-LJKOHKRPSA-N", "SMILES:CCc1c2c(nc3ccc(OC(=O)N(C)CCN(C)P(=O)(O)OCC[C@H](NC(=O)c4ccc(Cn5nnc6c5-c5ccccc5CN(C(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)c5ccccc5-6)cc4)C(=O)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQDVRWIYUXKYQR-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)C(=O)N(C3CCN(C)CC3)C4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZMJLZHVLBSKE-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCCC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOVFHDJHUGBES-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCOCC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHXXMHOKIHJKY-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCN(C)CC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBAXGISUFHVKPW-JXALWOEJSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3C[C@@H](C)N[C@@H](C)C3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPKFEJQELSGORT-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CNC3CCCC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKXLHLCDBNXSBT-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INSOERIUGCDMID-HXUWFJFHSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)C(=O)N(C(C)C)C4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BECCYBZVBSCVDH-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)C(=O)N(C3CCCC3)C4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDZLNLDCMCRMS-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc4c(c3)CN(C3CCN(C)CC3)C4=O)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZANSQRVTKCXEOP-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN(CC)CC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLLBMFZASOCLIF-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCCC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLDTELFIMHCAY-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCCCC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQPBRMWKFJKVSW-JTHBVZDNSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCC[C@H]3CO)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOOVKYIUMFKLC-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCC(O)CC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGPJKNPJQSLQTE-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCC(C)CC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIRVHAMRCDOLJQ-PIFIWZBESA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCCC(C)C3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDAZXJBJHQKRNA-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCOCC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEUMTIQGKUVYJM-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCSCC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBJJIWZOKSTHG-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(C)CC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQOLMGRMCDKAS-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(CC)CC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKAFPBCWTVDHF-RUZDIDTESA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(C(C)C)CC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHSIXJDGMNJFU-JXALWOEJSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3C[C@@H](C)N[C@@H](C)C3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYZIZQNRYSAHLB-HHHXNRCGSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(C4CCCC4)CC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTVRTKADRPRCF-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(C(C)=O)CC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHYGDMTHXOWJZ-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(CCO)CC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDYSUCFDCGSSEQ-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(S(C)(=O)=O)CC3)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COKMLSIYYSUCIR-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN(CC)CC)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBULVHVJQISAMG-JTHBVZDNSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCC[C@H]3CO)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCNMRNSZEJLPCH-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCCCC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRIZQAUPYMDOBS-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCC(O)CC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVUXDKXAQKMLIM-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCSCC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEILSCWVGFIDJL-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCS(=O)(=O)CC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFGWPSMJFVPFI-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCN(C(C)=O)CC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQYCXUWKTZCKO-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCN(CCO)CC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSBPICGFSLCYPI-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CNC3CC3)CC4)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPXNBSUAVZEBN-RUZDIDTESA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(C(C)=O)CC3)nc2N1CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCDYUDVJKXYKNA-RUZDIDTESA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(C(C)=O)CC3)nc2N1Cc1cc(C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYSCQVUJACHHJ-AREMUKBSSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(C(C)=O)CC3)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHOHNZUUIVYNKQ-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)CCN4C(=O)CN3CCN(C(C)=O)CC3)nc2N1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXGXTGIMJQZFA-RUZDIDTESA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCN(C(C)=O)CC3)CC4)nc2N1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKNIQOOBNDEBF-AREMUKBSSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCN(C(C)=O)CC3)CC4)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYADALKUILXFKH-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCN(C(C)=O)CC3)CC4)nc2N1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACASXOCRQAMKNU-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCOCC3)CC4)nc2N1CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSZIMXVEMYQOJI-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCOCC3)CC4)nc2N1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVHAVDTMKMLJT-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCOCC3)CC4)nc2N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZQUEDZXRXCNKM-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCOCC3)CC4)nc2N1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRDZMBJEDCSLY-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCOCC3)CC4)nc2N1C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVLRYLCWZPLEP-XMMPIXPASA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc4c(cc3OC)N(C(=O)CN3CCOCC3)CC4)nc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHXQUPAKHOLCH-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)CC(=O)N4CCN(C)CC4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5283368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBAJRFXAJHAPJE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2c(-c3ccccc3)n(O)c3ccccc23)N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYKQIMOHSMRSO-UHFFFAOYSA-N", "SMILES:COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWUOHXBDKHUJA-UHFFFAOYSA-N", "SMILES:COc1c(SCC(=O)O)cc(NS(=O)(=O)c2cccs2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJGRIIZGAVIRJ-UHFFFAOYSA-N", "SMILES:COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZIZFCBOWSHHHK-UHFFFAOYSA-N", "SMILES:COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKXKPXMNXCPOR-UHFFFAOYSA-N", "SMILES:COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXBTYQWJRDTUMK-UHFFFAOYSA-N", "SMILES:COc1c(SCC(=O)O)cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIAALOXILITERB-UHFFFAOYSA-N", "SMILES:COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYOHTIZWDNHIT-UHFFFAOYSA-N", "SMILES:COc1c(SCC(=O)O)cc(NS(=O)(=O)c2cccc(Oc3ccccc3)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUAOCUNWBQKCQ-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHYBRKGQPLWFX-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1OCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERKNTGEXOIQNO-UHFFFAOYSA-N", "SMILES:O=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUAEEFSGGEQCW-TUFLPTIASA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccoc2)NC(=O)[C@H](Cc2ccoc2)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRMCDAOAQWNTG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5398458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUQGOGQMRRNBFF-RGVLZGJSSA-N", "SMILES:Cc1cc2nc3s/c(=C/c4ccc(-c5cccc(C(=O)O)c5)o4)c(=O)n3c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWRDJBIKYULHHZ-JQSHXNIYSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1c1nc(C)nn1-c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLMBWBWRXOTIJ-WIXLDOGYSA-N", "SMILES:OC[C@H]1O[C@@H](c2ncnn2-c2ccc3ncsc3c2)[C@H](O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOWPVDZQZTXLM-SUHOFRIBSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)n(-c2ccc3ncsc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCKXBKJSKJYEHK-SUHOFRIBSA-N", "SMILES:Cc1nc2ccc(-n3ncnc3[C@@H]3O[C@H](CO)[C@H](O)[C@H](n4cc(-c5cc(F)c(F)c(F)c5)nn4)[C@H]3O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNXPPDTWTPNLAH-SUHOFRIBSA-N", "SMILES:Cc1nc2cc(Cl)c(-n3ncnc3[C@@H]3O[C@H](CO)[C@H](O)[C@H](n4cc(-c5cc(F)c(F)c(F)c5)nn4)[C@H]3O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNJJYPKCKWGJIU-VLZGJKPMSA-N", "SMILES:Cc1nc2cc(C)c(-n3ncnc3[C@@H]3O[C@H](CO)[C@H](O)[C@H](n4cc(-c5cc(F)c(F)c(F)c5)nn4)[C@H]3O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJVDABCRNPWGO-SUHOFRIBSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n(-c2ccc3ncsc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHQLGLWZIVLUOJ-SUHOFRIBSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Br)c(F)c4)nn3)[C@H]2O)n(-c2ccc3ncsc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSCVHKVKWHAATM-IJOLKFQISA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c5ccccc5c4)nn3)[C@H]2O)n(-c2ccc3ncsc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTZWFEUNEDHQRJ-HWLDZIHSSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccc(Cl)c(F)c4F)nn3)[C@H]2O)n(-c2ccc3ncsc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRLETDGBROVGR-HWLDZIHSSA-N", "SMILES:Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccc(Br)c(F)c4F)nn3)[C@H]2O)n(-c2ccc3ncsc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQSQCJNTVPSPMJ-VLZGJKPMSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1c1nc(C)nn1-c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOAUFUGTVJDHNA-VLZGJKPMSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Br)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1c1nc(C)nn1-c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFFLJJDWCFEBR-JQSHXNIYSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3ccc(Br)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1c1nc(C)nn1-c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HANKSZYISFNIGD-SUHOFRIBSA-N", "SMILES:Cc1nc2ccc(N(C)C(=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](n4cc(-c5cc(F)c(F)c(F)c5)nn4)[C@H]3O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAAOSQBUNOIZBQ-VLZGJKPMSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2nc(C)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMRCMLLPHWTUFS-SUHOFRIBSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQSAQSCGHSOXTE-SUHOFRIBSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Br)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZLZEEYJSMJHJF-VLZGJKPMSA-N", "SMILES:CCN(C(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@H]1OC)c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIIEGLGCRYZHZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2sc3cc(OS(N)(=O)=O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTNCEDRLOXCLH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(O)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJYADQXARCIBGK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGESDQAAIJOGJA-UHFFFAOYSA-N", "SMILES:Cc1cc(Sc2nnnn2CCN(C)C)n2nc(SCc3ccc(Cl)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCMUHXVQOVKIH-FCHUYYIVSA-N", "SMILES:O=C(NO)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPASDXYXORYAHL-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(NCc2c(Cl)cccc2Oc2ccc(-c3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DINCRWLXSQGFFN-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZNBACCYGFHUTP-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCN(C(=O)c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRIDBFYGFITWTL-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCN(C(=O)c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDZZEHAWJUENW-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCN(C(=O)c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVPCGICTHFCFA-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCN(C(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKFGBURRHISYFA-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCN(C(=O)c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPQVAPMKJBJTE-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCN(C(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADIKRIYAGSRODZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCN(C(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGYCTIANASNDI-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCN(C(=O)c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBUJDJILDZMYLZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)C1CCN(C(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKGLSOYRQQJMRE-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N1CCC(C(=O)NCCCCCNc2c3c(nc4ccccc24)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPWITDHFBUZNJ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)N2CCC(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGQLXLSJFGRPI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCC(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)CC2)cc1"]}
{"name": "Carminomycin 4-O-methyltransferase DnrK", "xref": ["CHEMBL.TARGET:CHEMBL5465378"], "id": "UniProtKB:Q06528", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1950"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTVXQAOXPCCIW-GDLZYMKVSA-N", "SMILES:Cc1c(COc2cc(OCc3ccnc(C#N)c3)c(CN(C)[C@H](CO)C(=O)O)cc2Cl)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOPVDUORTYMGAL-UHFFFAOYSA-N", "SMILES:Cc1c(COc2cc(OCc3ccnc(C#N)c3)c(CN(C)CCO)cc2Cl)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUQFOTOMLHSZIN-KPKJPENVSA-N", "SMILES:CCOC(=O)/C(C#N)=C/c1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZMCRNXEAHANB-JGCGQSQUSA-N", "SMILES:CC1=CC(C)=[N+]2C1=Cc1ccc(CCCCCCCC[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n1[B-]2(F)F"]}
{"name": "Alpha-tocopherol transfer protein", "xref": ["CHEMBL.TARGET:CHEMBL3308919"], "id": "UniProtKB:P49638", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTUYFQPUPVKFX-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c(=O)c2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZCDIWSULZOTPM-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDDRIPNNXSTOBN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2ccccc2O)N2CCN(c3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAQJIOQSCHIBX-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2ccc(OC(F)(F)F)cc2)N2CCN(c3cnccn3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSEVQGIMAMQYSW-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2ccc(C(F)(F)F)cc2)N2CCN(c3cnccn3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTIXWOQWTVBBJP-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2ccc(F)c(F)c2)N2CCN(c3cnccn3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COIWBQIVVIJLCU-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBSPXQIAAPHOF-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cnccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRFOYFUBSINON-XDCYLPOVSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(CN4CCNCC4)cc3)O[C@]12C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWHGLJFEMCPATK-DFBFCLLYSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CN6CCNCC6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPEPSOPXQDGEHP-WWBNNTNKSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(Cc4cccc(N)c4)cc3)O[C@]12C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPEPSOPXQDGEHP-MJHMFWKOSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@H](c3ccc(Cc4cccc(N)c4)cc3)O[C@]12C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594374", "category": ["biolink:ChemicalEntity"], "name": "DESISOBUTYRYLCICLESONIDE", "xref": ["InChIKey:OXPLANUPKBHPMS-ZXBNPROVSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](C3CCCCC3)O[C@]12C(=O)CO"], "synonym": ["Des-ciclesonide", "Desisobutyrylciclesonide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQJAEAPBPBAVLB-WGFKEYJASA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](C3CCNCC3)O[C@]12C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBEQZSRSKLDNOT-WHUHCIBKSA-N", "SMILES:C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](C5CCC(N)CC5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQPOBPRAMICVLU-UHFFFAOYSA-N", "SMILES:CC(NC(=O)CNCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHPBAOBBWAFHRE-UHFFFAOYSA-N", "SMILES:O=C(CNCc1ccccc1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVZBFSJKBZCTM-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDFCNZXCUMEMQ-UHFFFAOYSA-N", "SMILES:O=C(CNCc1ccc(OCc2cccc(Cl)c2)cc1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOEZDOWMOKWWCW-IBGZPJMESA-N", "SMILES:Cc1ccccc1Cc1ccc(CNC(=O)[C@@H]2CCCN2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJJOKGWFZQVSMR-HDICACEKSA-N", "SMILES:O=C(CNCc1ccccc1)N[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEQTXZGSORDUSS-PLQXJYEYSA-N", "SMILES:COc1ccc(CNCC(=O)N[C@H]2CC[C@@H](c3nc4cc(OCCOCCOCCOCCN)ccc4[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPPWPGNMZYYCN-NDENLUEZSA-N", "SMILES:CCN(C)C(=O)Oc1ccc2c(c1)N(Cc1ccccc1)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKCVKIHXSAJEKL-STZFKDTASA-N", "SMILES:CCN(C)C(=O)Oc1ccc2c(c1)N(CCc1ccccc1)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKENGLOGKVMJPB-UYRXBGFRSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)N(CC)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOAOHCCERCMJQY-JLPGSUDCSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)N(Cc1ccccc1)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDAUMAPOWQTIW-BWAHOGKJSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)N(CCc1ccccc1)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKXHEKVJMXIIP-XYGWBWBKSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)N(Cc1cccc(C)c1)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWVOABVUSMHWDB-OYKKKHCWSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)N(Cc1cccc(Cl)c1)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQFMJFDGOCQQLX-IWIPYMOSSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)N(Cc1ccc(Cl)cc1)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUGGRHRBCOOWND-MYYYXRDXSA-N", "SMILES:CCCCCCCNC(=O)Oc1ccc2c(c1)N(Cc1cccc(OC)c1)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGBLJGZDWZONO-HAHDFKILSA-N", "SMILES:CCCCCCNC(=O)Oc1ccc2c(c1)N(Cc1ccccc1)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWVFIQIWZRMQIM-WQRHYEAKSA-N", "SMILES:CCN1/C(=C/C(C)=O)Sc2ccc(OC(=O)NC3CCCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONBVYCYXZOZZNN-PDGQHHTCSA-N", "SMILES:CCCCCCNC(=O)Oc1ccc2c(c1)N(CC)/C(=C/C(C)=O)S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCRHFHUQHNFIU-NVMNQCDNSA-N", "SMILES:CCN1/C(=C/C(C)=O)Sc2ccc(OC(=O)NCc3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVVRODREEMLXIT-MOSHPQCFSA-N", "SMILES:CCN1/C(=C/C(C)=O)Sc2ccc(OC(=O)NCCc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTZBKRUJACNIDE-MFOYZWKCSA-N", "SMILES:CC(=O)/C=C1\\Sc2ccc(O)cc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCZUWXJFWWURGI-WQRHYEAKSA-N", "SMILES:CC(=O)/C=C1\\Sc2ccc(O)cc2N1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRCDPUXQFRMFMC-NVMNQCDNSA-N", "SMILES:CC(=O)/C=C1\\Sc2ccc(O)cc2N1Cc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVQAXKXNKZWOLV-IDUWFGFVSA-N", "SMILES:CC(=O)/C=C1\\Sc2ccc(O)cc2N1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVIJMBZQGDXNQ-LSCVHKIXSA-N", "SMILES:COc1cccc(CN2/C(=C/C(C)=O)Sc3ccc(O)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCEYANGHKYVQIO-IUXPMGMMSA-N", "SMILES:CC(=O)/C=C1\\Sc2ccc(O)cc2N1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKBFLGGGGIRJB-FBHDLOMBSA-N", "SMILES:CC(=O)/C=C1\\Sc2ccc(O)cc2N1Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBBCECCXYHJOBP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)O)nc3c2c(C)nn3-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSXELDJNMQUEP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)O)nc3c2c(C)nn3-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRPWWJBCABNNK-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UISFEXGUNPBLQS-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2cccc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZGZOZXCVXYDRH-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPEMQDNHVSBYSD-UHFFFAOYSA-N", "SMILES:Cc1nn(C2CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKMPJNHNWCVTO-UHFFFAOYSA-N", "SMILES:Cc1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJUPUOIVRWQGQ-UHFFFAOYSA-N", "SMILES:Cc1nn(C2CCOCC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYVNPQRNBECCI-UHFFFAOYSA-N", "SMILES:Cc1nn(C2CCN(C)CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWAJDKWIIPPQMV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2cnn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBJJELHEQPSGNE-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHRKULVUAGUPSV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOGNFYGRFDBRMA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C3CCC3)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDFIZXKXKHMLV-UHFFFAOYSA-N", "SMILES:CC1(c2nn(-c3ccccc3)c3nc(C(=O)O)cc(-c4ccc(N5CCOCC5)cc4)c23)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTNUTMRLNACBEF-UHFFFAOYSA-N", "SMILES:CC1(c2nn(-c3ccccc3)c3nc(C(=O)O)cc(-c4ccc(N5CCOCC5)cc4)c23)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKJCHXLBQWLBHP-UHFFFAOYSA-N", "SMILES:COCc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKVJPJPPGZBSPU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(CO)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUUHLIQPZMKEH-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTFYHOUUOMCFPT-UHFFFAOYSA-N", "SMILES:COCCNc1ccc(-c2cc(C(=O)O)nc3c2c(C)nn3-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDGAFMGZSZPMC-UHFFFAOYSA-N", "SMILES:COCCN(C)c1ccc(-c2cc(C(=O)O)nc3c2c(C)nn3-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZFDFLPALSEBP-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N(C)C4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JROGWPHFMNZVSM-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(O)CC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLIHESPSIUDMQF-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXZBCBSREQCJFM-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(CO)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUYVMCTFZDDCW-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(C(C)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIDXKGPBCQRICV-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(C(C)(C)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHZADCVQVRFTIP-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(C(=O)NCC(F)(F)F)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITISUWFJYYWJOY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)c3c(C)nn(-c4ccccc4)c3n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNMSKGWOKFTNEV-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(CC(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOKPOKDYFJFDO-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(C(=O)NC#N)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDJNPORJVYSUKM-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(C(=O)NS(C)(=O)=O)cc(-c3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXXXFPAEPFCEJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFNQIZJEXRBAGM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C3CCC3)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URRKQSFCFTURGQ-UHFFFAOYSA-N", "SMILES:COCCN(C)c1ccc(-c2cc(C(=O)O)nc3c2c(C2CCC2)nn3-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMMHSLVEULOGY-UHFFFAOYSA-N", "SMILES:COCCN(C)c1ccc(-c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C2CCC2)nn3-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWCJLJUCPQVMJV-UHFFFAOYSA-N", "SMILES:COCCN(C)c1ccc(-c2cc(C(=O)O)nc3c2c(C2CCC2)nn3-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDRFUQSZEQUSKS-UHFFFAOYSA-N", "SMILES:COCCN(C)c1ccc(-c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C2CCC2)nn3-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGQFMCAELKGFNT-UHFFFAOYSA-N", "SMILES:N#CC1CCN(c2ccc(-c3cc(C(=O)O)nc4c3c(C3CCC3)nn4-c3ccccc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXHOIIUOMWWZOE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(-c2ccc(N3CCC(C#N)CC3)nc2)c2c(C3CCC3)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYXARSPXEMGVIU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(N2CCCCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQGRQPZOTWRKQ-UHFFFAOYSA-N", "SMILES:COC1CCN(c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C2CCC2)nn3-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXUCFYREUJPRG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(N2CCC(C#N)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYBQSRRFUUGKSB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELJFUONOZUMGS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDDYMAKGOBYDX-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)NC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHIABNUZGYFSY-UHFFFAOYSA-N", "SMILES:COC1CCN(c2cc(C(=O)NS(=O)(=O)N(C)C)nc3c2c(C2CCC2)nn3-c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVXSIKNLZGNCDG-MIDQIFMJSA-N", "SMILES:O=C1C=CC[C@H]([C@@H](O)[C@H](c2ccccc2)c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5433605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVXSIKNLZGNCDG-VKPQGXNBSA-N", "SMILES:O=C1C=CC[C@@H]([C@@H](O)[C@@H](c2ccccc2)c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5427043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRJPGBYRJDSKA-JVOXNHGTSA-N", "SMILES:O=C1C=CC[C@H]([C@@H](O)[C@H](c2ccccc2)c2c(O)cc(O)c3c2O[C@H](c2ccccc2)CC3=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRJPGBYRJDSKA-MKKLIPOPSA-N", "SMILES:O=C1C=CC[C@@H]([C@H](O)[C@@H](c2ccccc2)c2c(O)cc(O)c3c2O[C@H](c2ccccc2)CC3=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL522143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWZTPWKACKUMJ-HJUABUFYSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZOHFCRCMJBTBF-XAWVUDGWSA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCGMQZFMKDCSR-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYZWDQJVPQGCO-UHFFFAOYSA-N", "SMILES:CCc1nnc(-c2c(OC)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFTXFNSHFZLJNT-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCJGMZMSVIAAJU-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CCO)c4)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGEBOBAOVSOQCV-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLWSBWYWAAETQ-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cnc3cc(N4CCOCC4)ccc32)cc(OC)c1C(=O)NCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INDWAJWLSOYKGH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(N4CCOCC4)ccn23)cc(OC)c1C(=O)NCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVJPXAQFGYJDI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(N4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWSYLCVSNZMWCP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(N4CC(F)(F)C4)ccn23)cc(OC)c1C(=O)NCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZVDQIXBUFBWLM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(N4CC(F)(F)C4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJFVPKCPIJSWQT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(N4CCN(C)CC4)ccn23)cc(OC)c1C(=O)NCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYITDGKYOBFAO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(N4CCN(C)CC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMKAHZOTDZUIN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(N4CCN(C(C)=O)CC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHFWGYATBPONNI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(N4CCN(CCO)CC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGVIQXQPXLHQK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(N4CCC(N(C)C)CC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNFAAUUFUBZKC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(N4CC(N(C)C)C4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGMDEPACJFWQTK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(Nc4cccc(N5CCOCC5)c4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPSCTAWDRZNUCF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(Nc4cn(C)cn4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJARIRMZQINMV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(NC(=O)C4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWLKLAVEUJFHNV-UHFFFAOYSA-N", "SMILES:COCCC(=O)Nc1ccn2c(-c3cc(OC)c(C(=O)NC4CC4)c(OC(F)F)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGMOBQWMSWOTLL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(NCCN4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNOCCCXGASNIAF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPNPNYBQZUNHGQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(OCCC4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNVPNNTSQXNLO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ncc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQKIKYQHVNIMN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc2c1C(=O)N(C1CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJJXHPSYKGLJY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cnc1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OASYTCDRFWTGNE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cnc1C(=O)NCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEKFAPECJXSTI-RPRWACPASA-N", "SMILES:C/C1=C\\C[C@H](O)[C@H](C)[C@@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEKFAPECJXSTI-ZUHQKBLDSA-N", "SMILES:C/C1=C\\C[C@@H](O)[C@H](C)[C@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEKFAPECJXSTI-JSDVPIPCSA-N", "SMILES:C/C1=C\\C[C@H](O)[C@H](C)[C@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEKFAPECJXSTI-KWPPTZIYSA-N", "SMILES:C/C1=C/C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEKFAPECJXSTI-RVSLBFNGSA-N", "SMILES:C/C1=C/C[C@H](O)[C@H](C)[C@@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHDZCVRYSXWSM-UHFFFAOYSA-N", "SMILES:COc1c(O)nc2c(O)cccc2c1OC"], "chembl_natural_product": true}
{"name": "2-oxoisovalerate dehydrogenase subunit beta, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5465287"], "id": "UniProtKB:P21953", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein YIF1A", "xref": ["CHEMBL.TARGET:CHEMBL5465281"], "id": "UniProtKB:O95070", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent RNA helicase DHX8", "xref": ["CHEMBL.TARGET:CHEMBL5465306"], "id": "UniProtKB:Q14562", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription initiation factor TFIID subunit 6", "xref": ["CHEMBL.TARGET:CHEMBL5465548"], "id": "UniProtKB:P49848", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nonsense-mediated mRNA decay factor SMG7", "xref": ["CHEMBL.TARGET:CHEMBL5465340"], "id": "UniProtKB:Q92540", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Poly(rC)-binding protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5465293"], "id": "UniProtKB:P57721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutathione hydrolase 7", "xref": ["CHEMBL.TARGET:CHEMBL5465368"], "id": "UniProtKB:Q9UJ14", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinesin-like protein KIF21A", "xref": ["CHEMBL.TARGET:CHEMBL5169171"], "id": "UniProtKB:Q7Z4S6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CD2-associated protein", "xref": ["CHEMBL.TARGET:CHEMBL5465369"], "id": "UniProtKB:Q9Y5K6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily D member 2", "xref": ["CHEMBL.TARGET:CHEMBL5465341"], "id": "UniProtKB:Q92925", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Armadillo repeat-containing protein 10", "xref": ["CHEMBL.TARGET:CHEMBL5465331"], "id": "UniProtKB:Q8N2F6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U6 snRNA-associated Sm-like protein LSm8", "xref": ["CHEMBL.TARGET:CHEMBL5465283"], "id": "UniProtKB:O95777", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peroxisome biogenesis factor 2", "xref": ["CHEMBL.TARGET:CHEMBL5465285"], "id": "UniProtKB:P28328", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-like modifier-activating enzyme 5", "xref": ["CHEMBL.TARGET:CHEMBL2016429"], "id": "UniProtKB:Q9GZZ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysosome-associated membrane glycoprotein 2", "xref": ["CHEMBL.TARGET:CHEMBL5465542"], "id": "UniProtKB:P13473", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromosome transmission fidelity protein 18 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5465337"], "id": "UniProtKB:Q8WVB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor 3A subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL5465304"], "id": "UniProtKB:Q12874", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein YIF1B", "xref": ["CHEMBL.TARGET:CHEMBL5465315"], "id": "UniProtKB:Q5BJH7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sorting nexin-3", "xref": ["CHEMBL.TARGET:CHEMBL5465275"], "id": "UniProtKB:O60493", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Septin-5", "xref": ["CHEMBL.TARGET:CHEMBL5465347"], "id": "UniProtKB:Q99719", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein FAM91A1", "xref": ["CHEMBL.TARGET:CHEMBL5465320"], "id": "UniProtKB:Q658Y4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prelamin-A/C", "xref": ["CHEMBL.TARGET:CHEMBL1293235"], "id": "UniProtKB:P02545", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Testin", "xref": ["CHEMBL.TARGET:CHEMBL5465364"], "id": "UniProtKB:Q9UGI8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heat shock 70 kDa protein 4L", "xref": ["CHEMBL.TARGET:CHEMBL5465282"], "id": "UniProtKB:O95757", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromobox protein homolog 5", "xref": ["CHEMBL.TARGET:CHEMBL3826867"], "id": "UniProtKB:P45973", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lamin-B2", "xref": ["CHEMBL.TARGET:CHEMBL5465302"], "id": "UniProtKB:Q03252", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "FACT complex subunit SPT16", "xref": ["CHEMBL.TARGET:CHEMBL5465367"], "id": "UniProtKB:Q9Y5B9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein O-mannosyl-transferase TMTC3", "xref": ["CHEMBL.TARGET:CHEMBL5465323"], "id": "UniProtKB:Q6ZXV5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "V-type proton ATPase subunit C 1", "xref": ["CHEMBL.TARGET:CHEMBL5465286"], "id": "UniProtKB:P21283", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFZWWQUOBHTHRE-KBPBESRZSA-N", "SMILES:CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N(C)C)cc4s3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDKOHGWWKXHTQ-KBPBESRZSA-N", "SMILES:CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CC(O)C5)cc4s3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404296", "category": ["biolink:ChemicalEntity"], "name": "LAROPROVSTAT", "xref": ["InChIKey:NCHUWRLOTSAFFN-KBPBESRZSA-N", "SMILES:O=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(OC(F)F)cn3)C2)nc1"], "synonym": ["Laroprovstat", "Laroprovstat", "Laroprovstat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FECDSEUAOKXYDM-IRXDYDNUSA-N", "SMILES:O=c1cccnn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEPMXYCJDITKB-ROUUACIJSA-N", "SMILES:O=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MONCSLBNMBXWBY-GJZGRUSLSA-N", "SMILES:O=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(Cl)cn3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCUGLTODPQTEBR-UHFFFAOYSA-N", "SMILES:Nc1nccc2cc(-c3cccc(B(O)O)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOYQBFAGIVGFV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(NC(=O)c2cnn(Cc3ccccc3)c2)B2OC(C)(C)C(C)(C)O2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPVNXMPAVISSZ-UHFFFAOYSA-N", "SMILES:CC1(C)OB(C(NC(=O)c2cnn(Cc3ccccc3)c2)c2cccc(Cl)c2)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWICSYWXORFBE-UHFFFAOYSA-N", "SMILES:CC1(C)OB(C(NC(=O)c2cnn(Cc3ccc(Cn4cccn4)cc3)c2)c2cccc(Cl)c2)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGOZYZQXDRCEI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(NC(=O)c2cnn(Cc3ccc(Cn4cccn4)cc3)c2)B2OC(C)(C)C(C)(C)O2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFMXDJSYGSJSDR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(NC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)B2OC(C)(C)C(C)(C)O2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMPXIFGNDCFZRQ-XHSDSOJGSA-N", "SMILES:N=C(N)NCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXKUVMQIHUOBX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2cnn(Cc3ccc(Cn4cccn4)cc3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJHIABWNHKPRHK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOFDEQUBUKAINK-MDZDMXLPSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2cnn(Cc3ccc(Cn4cccn4)cc3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXMZOMDZGUUTO-UHFFFAOYSA-N", "SMILES:CC1(C)OB(C(CC(=O)c2cnn(Cc3ccc(Cn4cccn4)cc3)c2)c2cccc(Cl)c2)OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRZIUXYJTSGQCW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(CC(=O)c2cnn(Cc3ccc(Cn4cccn4)cc3)c2)B2OC(C)(C)C(C)(C)O2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGYVNNMDBLVCOV-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLGHEGZXCNFRHB-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOSAPAEFXZWBM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHZATHSABFUEI-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQKNNVCYAVVBB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSVJHAIFKLYTIG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODSHIRVEOVEADT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUWPGZCTNKFYMH-UHFFFAOYSA-N", "SMILES:CCCCCCCN1CCN(C(=O)C2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORWFINKCFKZTRU-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1CCN(C(=O)C2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAUZZPCYMWECJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRDQLKPGJGJZPK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUFUQKJRYXNDM-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGKUQUALRCYNZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(CNC(=O)C2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPEPQCMLINGXPE-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWNFQORZAPTFK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJWHCUWSWDAQZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTJPQLJYANJIHJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNLVIFRGFRMNF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOJLKJAYFPPCR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3cc(Cl)cc(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFGCNCYJCMGGGZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1"]}
{"name": "Neurolysin, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5465352"], "id": "UniProtKB:Q9BYT8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDJAEBAYNRVEII-INIZCTEOSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=S)NCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPFGLSZEYHZEU-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKKPMXVDZCOTG-KRWDZBQOSA-N", "SMILES:CN(Cc1cccc2ccccc12)C(=O)[C@@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKKPMXVDZCOTG-QGZVFWFLSA-N", "SMILES:CN(Cc1cccc2ccccc12)C(=O)[C@H](N)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAVAAWGJJORHST-AWEZNQCLSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPKUFZRYCGNST-NRFANRHFSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAOZMMVNJTGGG-KRWDZBQOSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAOZMMVNJTGGG-QGZVFWFLSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)C(=O)N1CCC(Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTNRCYISKKLLEV-AWEZNQCLSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYVDYILRIFIIC-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFVBKGVHUPYAM-INIZCTEOSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)c1ncc(-c2cccc3ccccc23)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORSRODWWGOPCP-LBPRGKRZSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)c1ncc(-c2ccc(Cl)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORSRODWWGOPCP-GFCCVEGCSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)c1ncc(-c2ccc(Cl)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVOJWWXMFIQSH-INIZCTEOSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVOJWWXMFIQSH-MRXNPFEDSA-N", "SMILES:N[C@H](Cc1c[nH]cn1)c1ncc(-c2ccc3ccccc3c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAEYQMAKAULKLV-ZDUSSCGKSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQHCJZDVUQQEG-SFTDATJTSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEJDFWIPXRWCS-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nc(C(C)(C)C)sc2C3)cc2c(C)nn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSPWBXQZGERJN-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nc(C(C)(C)C)sc2C3)cc(-c2ccc(C(N)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKLGSKYWMKRRNF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nc(C(C)(C)C)sc2C3)c2[nH]ncc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNRBGRDTTHRNFM-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nc(C(C)(C)C)sc2C3)c2[nH]ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNSQBRZIXKYRK-UHFFFAOYSA-N", "SMILES:CNc1ccc2c(OC)cc(C(=O)N3CCC4(CC3)CC(=O)c3nc(C(C)(C)C)sc3C4)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJGGABKNIYFOA-UHFFFAOYSA-N", "SMILES:CNc1nc2c(C)cccc2cc1C(=O)N1CCC2(CC1)CC(=O)c1nc(C(C)(C)C)sc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHHKMVNVTYIPGZ-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2c(N)c(C(N)=O)c3nc4ccccc4nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2152699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXBVFZZUTIXYNO-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2c(=O)c3c(c4c(N)ncnc42)CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBOINOQPZJFJR-UHFFFAOYSA-N", "SMILES:O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(Cc2ccc(F)c(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3810303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCHHWOYUIPSLJH-UHFFFAOYSA-N", "SMILES:CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEAAPKYFTMXNKV-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOWIZYNRFMJTNA-UHFFFAOYSA-N", "SMILES:FC1CN(CCc2ccc(-c3noc(C(F)(F)F)n3)cc2)CCC1Nc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRWQTGWNXUVBX-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nc(-c2ccc(CCN3CCC(Nc4nc5ncccc5[nH]4)CC3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYTUEFVZPMFTGQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(NC3CCN(CCc4ccc(-c5noc(C(F)(F)F)n5)cc4)CC3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCWJAQTYPFKPY-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nc(-c2ccc(CCN3CCC(Nc4nc5cnccc5[nH]4)CC3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWLSIHUNDRIVJY-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nc(-c2ccc(CCN3CCC(Nc4nc5cnc(Cl)cc5[nH]4)CC3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMBONHCINJFKLA-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nc(-c2ccc(CCN3CCC(Nc4nc5ccccc5[nH]4)C(F)(F)C3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMEFKYRCNZDJCR-MCEBTLFFSA-N", "SMILES:CC(C)C[C@@H](C=O)NC(=O)[C@@H]1Cc2ccc(cc2)Oc2cc(ccc2[N+](=O)[O-])C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAPVTUAAHPKKU-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nn3c(c2-c2ccnc(NC4CCOCC4)n2)COCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURIVPGRKIUWCS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUWJBUJGOVSTR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAZOPPOBXTZKJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc3[nH]ncc23)c(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMEJGENWYHYKFW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc3[nH]c(C(F)(F)F)cc23)c(-c2ccc(F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBFCAMAXTATWFN-UHFFFAOYSA-N", "SMILES:Cc1cnc2[nH]ccc2c1-c1cn(C)nc1-c1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJGNDDJOXCXNJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2c(C#N)cnc3[nH]ccc23)c(-c2ccc(F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLZXBOYSNLUDLM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(N)nc3[nH]ccc23)c(-c2ccc(F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZFFHNNNCMCJQ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nn3c(c2-c2ccnc4[nH]ccc24)COCC3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAKYUEIFEBIYBT-UHFFFAOYSA-N", "SMILES:CC1(C)Cn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ccc34)c2CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZMIWVZGYMKUDV-UHFFFAOYSA-N", "SMILES:CC1(C)Cn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c2CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSNKLFDTUZMHM-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nn3c(c2-c2ccnc4[nH]ncc24)CCCC3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPLMAVCTDNZWET-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nn3c(c2-c2ccnc4[nH]ncc24)CCC(F)(F)C3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGYVZKJFQBHNX-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(-c3ccnc4[nH]ncc34)c(-c3ccc(F)cn3)nn2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPTVNFZRAYXQI-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nn3c(c2-c2ccnc4[nH]ncc24)COCC3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTFXTWAKUUCPQ-UHFFFAOYSA-N", "SMILES:CC1(C)COCc2c(-c3ccnc4[nH]ncc34)c(-c3ccc(F)cn3)nn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KREXQADTBVQYEH-INIZCTEOSA-N", "SMILES:Nc1cc(N2CCC(C(=O)N3OCC[C@H]3c3cc(F)cc(F)c3)CC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGAMTKZBGMRVRK-SFHVURJKSA-N", "SMILES:Cc1c(F)cc([C@@H]2CCON2C(=O)C2CCN(c3cc(N)ncn3)CC2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSQCKQNYDMETRD-KRWDZBQOSA-N", "SMILES:N#Cc1cc(F)cc([C@@H]2CCON2C(=O)C2CCN(c3cc(N)ncn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDXLOKNEJMLLMR-KRWDZBQOSA-N", "SMILES:COc1ncnc(N2CCC(C(=O)N3OCC[C@H]3c3cc(F)cc(C#N)c3)CC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXBVBBGZIUKHD-IBGZPJMESA-N", "SMILES:COc1cc(N2CCC(C(=O)N3OCC[C@H]3c3cc(F)c(C)c(C#N)c3)CC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPRDLHOQPCUVJN-KRWDZBQOSA-N", "SMILES:COc1cc(N2CCC(C(=O)N3OCC[C@H]3c3cc(F)cc(Cl)c3)CC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHLVVULQLRTBK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOZNISSKWTTSU-JTQLQIEISA-N", "SMILES:COc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVZUOZTEPGARX-QMTHXVAHSA-N", "SMILES:CC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMLLUHFTFWNDCD-NSHDSACASA-N", "SMILES:CCOc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4066705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDGKIBAOAFRPJ-PSOPSSQASA-N", "SMILES:CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GISRWBROCYNDME-PELMWDNLSA-N", "SMILES:COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GISRWBROCYNDME-REAQECSSSA-N", "SMILES:COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)nccc2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIANUOWPRWUGIU-NOZJJQNGSA-N", "SMILES:COc1cc2c(OC[C@H]3NC(=O)C[C@H]3C)nccc2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNLHXYPMKVXJQ-ISTVAULSSA-N", "SMILES:COc1cc2c(OC[C@H]3NC(=O)[C@@H](C)[C@H]3C)nccc2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNLHXYPMKVXJQ-GPCCPHFNSA-N", "SMILES:COc1cc2c(OC[C@H]3NC(=O)[C@H](C)[C@H]3C)nccc2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMKZEHYXGVIWQY-AZEZGGBOSA-N", "SMILES:COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](C)[C@@H]43)nccc2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXXWLJLVRXFEGV-JJPNKOBSSA-N", "SMILES:COc1cc2c(OC[C@H]3NC(=O)[C@@]4(F)[C@@H]3[C@@H]4C)nccc2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOTJARXURVIORK-NOXIQMFQSA-N", "SMILES:Cc1cc(CNCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTECLBZTBRFHKJ-OGXCIGATSA-N", "SMILES:Cc1cc(CNCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFZJPPJQFCYSB-NOXIQMFQSA-N", "SMILES:Cc1cc(CNCCCCCN2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVLDYQFALNQHJ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2N(c2cccc(F)c2)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVQIWIUBWWVIW-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)ccc2N(c2cccc(F)c2)C2c3[nH]c4ccc(Cl)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYHYFBFZONCRNP-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2N(c2cccc(F)c2)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOXQXDOFSBEPCG-UHFFFAOYSA-N", "SMILES:O=C1c2cc(F)ccc2N(c2cccc(F)c2)C2c3[nH]c4ccc(O)cc4c3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKFYPISGPTNOS-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2N(c2cccc(F)c2)C31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFQMJFOBWFELFY-KQQUZDAGSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(O)c(O)c2)c(OC)cc1/C=C/C(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVIBYVGPYMHKP-GGWOSOGESA-N", "SMILES:COc1cc(/C=C/C(=O)c2cc(O)cc(O)c2)c(OC)cc1/C=C/C(=O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXAJGNRGVKYBOB-NXZHAISVSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJDPIRLIAISGN-NXZHAISVSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1)c1ccc(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHLTTXZIIZTDZ-FNCQTZNRSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1/C=C/C(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMPXMIVGXIWSC-FIFLTTCUSA-N", "SMILES:COc1cc(C(=O)/C=C/c2cc(OC)c(/C=C/C(=O)c3ccc(O)c(OC)c3)cc2OC)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHZUSDNEHMBKD-WGDLNXRISA-N", "SMILES:COc1cc(/C=C/C(=O)c2cccc(O)c2)c(OC)cc1/C=C/C(=O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQJUVTOEVJHFFH-NXZHAISVSA-N", "SMILES:COc1ccc(O)c(C(=O)/C=C/c2cc(OC)c(/C=C/C(=O)c3cc(OC)ccc3O)cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSQFVVXPDWVWKL-KQQUZDAGSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)c(OC)cc1/C=C/C(=O)c1ccc(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLNZDVSYXQTSQ-PHEQNACWSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccccc2O)c(OC)cc1/C=C/C(=O)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQQFEZTLVOXKD-KQQUZDAGSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)cc1)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUYEFNOZGAZPA-IAGONARPSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3238347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUIMYYLDVNIFIK-MKICQXMISA-N", "SMILES:COc1cc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(O)c(OC)c3)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNNQVMBQYPKJI-PHEQNACWSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc(O)c2)cc1)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSRFQNOWWOOJJF-MKICQXMISA-N", "SMILES:COc1ccc(O)c(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cc(OC)ccc3O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFRPUAGDBMSNQ-WXUKJITCSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2O)cc1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHYBLJUAOURPM-RBUKOAKNSA-N", "SMILES:O=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBICLFWRLYLRCF-RBUKOAKNSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGCRCHDUMWDKC-UHFFFAOYSA-N", "SMILES:O=C(CCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKMDUJQEDCDGI-UHFFFAOYSA-N", "SMILES:O=C(CCCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLHJUJRBMITAL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKVWMTUYHCIIA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUVFBAEJPYNHH-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXNSURPOFDEPY-UHFFFAOYSA-N", "SMILES:O=C(CCCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEVSTMSCFPQHKS-UHFFFAOYSA-N", "SMILES:O=C(CCCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCMMVCNTCLYBU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXOTBYJUWMGPP-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMKOTLZKVPXLW-UHFFFAOYSA-N", "SMILES:O=C(CCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWJHXKHDRJYLX-UHFFFAOYSA-N", "SMILES:O=C(CCCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIAAFSASMJJGRS-UHFFFAOYSA-N", "SMILES:O=C(CCCCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITOQJDGZQUCASY-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(N4CCN(C(=O)CCCCOc5ccc(CCNC(=O)c6cccc(C(=O)NO)c6)cc5)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRBPLDOCDFDWFX-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(N4CCN(C5CCN(C(=O)CCCCOc6ccc(CCNC(=O)c7cccc(C(=O)NO)c7)cc6)CC5)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLSGPDSMEJYPIU-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(N4CCN(CC5CCN(C(=O)CCCCOc6ccc(CCNC(=O)c7cccc(C(=O)NO)c7)cc6)CC5)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDRZGJBNUYGJE-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(N4CCC(N5CCN(C(=O)CCCCOc6ccc(CCNC(=O)c7cccc(C(=O)NO)c7)cc6)CC5)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQJGYUKCCLKGZ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(N4CCC(CN5CCN(C(=O)CCCCOc6ccc(CCNC(=O)c7cccc(C(=O)NO)c7)cc6)CC5)CC4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSZVMGKPVNGBZ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(N4CC(N5CCN(C(=O)CCCCOc6ccc(CCNC(=O)c7cccc(C(=O)NO)c7)cc6)CC5)C4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOXFWUKHMNYZNY-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(N4CC(CN5CCN(C(=O)CCCCOc6ccc(CCNC(=O)c7cccc(C(=O)NO)c7)cc6)CC5)C4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMPUSAONKTVMA-UHFFFAOYSA-N", "SMILES:O=C(CCCCOc1ccc(CCNC(=O)c2cccc(C(=O)NO)c2)cc1)NCCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUHVMOGMKEXGY-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1-c1cccc(COc2ccc(F)c(C(N)=O)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSDMCNSBRVZGJ-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(=O)CSC5c5ccc(F)cc5F)cc4F)c3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGMFNZXEGKFREH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccnc3c2CCN3)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL447602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNDVSUMHWZESZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)nc3)ccnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSDMCNSBRVZGJ-UUWRZZSWSA-N", "SMILES:CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(=O)CS[C@@H]5c5ccc(F)cc5F)cc4F)c3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSDMCNSBRVZGJ-UMSFTDKQSA-N", "SMILES:CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(=O)CS[C@H]5c5ccc(F)cc5F)cc4F)c3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJWLTPNTANOGFD-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc4c(c(OCc5ccccn5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REKLCXXJHWMMFP-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2oc3cc4c(c(OCc5ccncc5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXKDBRGDQWPYGU-UHFFFAOYSA-N", "SMILES:COc1cc2oc3cc4c(c(OCc5ccncc5)c3c(=O)c2c(CC=C(C)C)c1OC)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGKORMPNQTYBI-UHFFFAOYSA-N", "SMILES:CCOc1cc2oc3cc4c(c(OCc5ccncc5)c3c(=O)c2c(CC=C(C)C)c1OC)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPGBUDLNSOQRLT-UHFFFAOYSA-N", "SMILES:COc1c(OC(C)C)cc2oc3cc4c(c(OCc5ccncc5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZGFAGXALOLIK-UHFFFAOYSA-N", "SMILES:COc1c(OCC2CC2)cc2oc3cc4c(c(OCc5ccncc5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMGUCDHBRCGJP-UHFFFAOYSA-N", "SMILES:COc1c(OCc2ccccc2)cc2oc3cc4c(c(OCc5ccncc5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYVFJFVCDOUJEM-UHFFFAOYSA-N", "SMILES:COc1c(OCc2ccncc2)cc2oc3cc4c(c(OCc5ccncc5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOASSMNSJZKKLP-UHFFFAOYSA-N", "SMILES:COc1c(OCc2ccc(F)cc2)cc2oc3cc4c(c(OCc5ccncc5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUXLSPJZBGFFHP-UHFFFAOYSA-N", "SMILES:COc1c(OCc2cccc(F)c2)cc2oc3cc4c(c(OCc5ccncc5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDCNEKUYLJASPZ-UHFFFAOYSA-N", "SMILES:COc1c(OCc2ccc(F)cc2)cc2oc3cc4c(c(OCC5CCNCC5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHULTNNROYWGRX-UHFFFAOYSA-N", "SMILES:COc1c(OCc2ccc(F)cc2)cc2oc3cc4c(c(OCc5ccccn5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMPOQHSLJQBKV-UHFFFAOYSA-N", "SMILES:COc1c(OCc2cccc(F)c2)cc2oc3cc4c(c(OCc5ccccn5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOIZUABAMJSELY-UHFFFAOYSA-N", "SMILES:COc1c(OCc2ccccn2)cc2oc3cc4c(c(OCc5ccccn5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYYEJHRVFZTBO-UHFFFAOYSA-N", "SMILES:COc1c(OCc2ccc(F)cc2)cc2oc3cc4c(c(OCc5cccnc5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNNQBMCCWKUMNJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cc(Cl)c(Oc2ccsc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMBVUGCZNRZOC-DINWUYGQSA-N", "SMILES:CC1C(=O)N(CC(=O)NCCN(C)C(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNCEYFCZVEROV-IJLUWNCYSA-N", "SMILES:CC1C(=O)N(CC(=O)NCCOCCOCCOCCNC(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIFINGGSUEYQA-QWOBHEBOSA-N", "SMILES:CC1C(=O)N(CC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXDDPIRQLUNHZ-JAAMTFSXSA-N", "SMILES:CC1C(=O)N(CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVUYJLNRCGTERH-ZYALHISHSA-N", "SMILES:CC1C(=O)N(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWYHQAQEEJWYRM-DBGWXCEJSA-N", "SMILES:CC1C(=O)N(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKUZNKHFMSFNZ-NUJKLWKHSA-N", "SMILES:N[C@@H](CC(=O)N1CCCN(CC(=O)NCCOCCOCCOCCNC(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)C(=O)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIDRNXEQYSREK-JJLCTKRUSA-N", "SMILES:N[C@@H](CC(=O)N1CCCN(CC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)C(=O)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDSJCCROCIYLT-SJKWTCMVSA-N", "SMILES:N[C@@H](CC(=O)N1CCCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)C(=O)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNKJWIBGYVFZJE-OPPVXMQOSA-N", "SMILES:N[C@@H](CC(=O)N1CCCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)C(=O)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVVIMKHJVYTHF-LWMNGTQESA-N", "SMILES:C.N[C@@H](CC(=O)N1CCCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)C(=O)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWZJUFLACVRRW-AYSPJUNCSA-N", "SMILES:CC1C(=O)N(CC(=O)N(CCOCCOCCOCCOCCOCCOCCOCCOCCN(CC(=O)O)C(=O)CCc2cc(Cl)c(Oc3ccsc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)CC(=O)O)CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWKGZJAAGSVROJ-HCCKASOXSA-N", "SMILES:CC1C(=O)NCCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLRAMRHJZSZIE-QRIPLOBPSA-N", "SMILES:N[C@@H](CC(=O)N1CCCNC(=O)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKZOBQLNWJEFP-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(C(=O)NCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMQNOUAEWRSMB-UHFFFAOYSA-N", "SMILES:S=C(NCCCCNc1c2c(nc3ccccc13)CCCC2)Nc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICNPKYKIVQPEDC-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(NCCCCCN3c4ccccc4Sc4ccccc43)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZERFUTFKONRLOB-UHFFFAOYSA-M", "SMILES:COC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2ccc(CCCc3cc[n+](C)cc3)cc12.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJYCIJQXGAORQ-UHFFFAOYSA-N", "SMILES:N=c1oc2ccccc2cc1C(=O)Nc1cc(Br)ccc1N1CCN(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHLGMKQAPGWQBZ-UHFFFAOYSA-N", "SMILES:Cl.O=C(NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1nc2ccc([N+](=O)[O-])cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYLYOBRGUWZGCA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CCC(=O)NCCCNc2c3c(nc4ccccc24)CCCC3)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZQJBDNDDDGKPV-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCNTULDFOJXDDB-UHFFFAOYSA-N", "SMILES:O=C(CCCN(Cc1ccccn1)Cc1ccccn1)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEFDTXXUQXRHF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N(CCC2CCN(Cc3ccccc3)CC2)C(=O)NC1c1coc2c(Cl)cc(Cl)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLIYHKIBNXSAZ-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1cc(-c2ccc(Cl)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWRCYQKNSLNPOD-VAWYXSNFSA-N", "SMILES:CN(C)CCN1CCN(c2ccc(C(=O)/C=C/c3cc4ccccc4o3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBXBZBIIJCRPP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2cccc([N+](=O)[O-])c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJZWLBHUIONEM-BQYQJAHWSA-N", "SMILES:CN(C)/C=C/C(=O)c1cc2ccc(OCc3cn(Cc4ccc(F)c(F)c4)nn3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMPFHSHJYQRUGR-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWMKYNUKHZRAQ-UHFFFAOYSA-N", "SMILES:CC(C)C1NC(=O)C=C1NCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBZPOPRHZPSRO-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2nnc(CNC3CCN(Cc4ccccc4)C3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFDFHKJSMLLEN-BQYQJAHWSA-N", "SMILES:O=C(/C=C/c1cccs1)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARZEIXSJGIODB-UHFFFAOYSA-N", "SMILES:CCN(CCCCCOc1cc(O)c2c(c1)OC(c1ccc(O)cc1)CC2=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDNYGLJUAXNCNY-KNTRCKAVSA-N", "SMILES:CCN(CCCCCCOc1ccc(/C=C/C(=O)c2c(O)cc(OC)c(O)c2OC)cc1)Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGKMCZNNYDYYSV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccc3ccc(=O)oc3c2)cc1)c1cc(-c2cccc([N+](=O)[O-])c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSRJCSLKWFOAFC-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2c(C)cc(=S)oc2c1OCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFISFQNENBZRCF-UHFFFAOYSA-N", "SMILES:O=C(C[n+]1ccc2ccccc2c1)Nc1ccccc1Br.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKTWFOMWYWZGU-CSKARUKUSA-N", "SMILES:COc1ccc(/C=C/C(=O)NCCc2cc3ccccc3[nH]2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POPGUCONQNKJKN-UHFFFAOYSA-N", "SMILES:c1cc2[nH]c3nc(NCCCCCCN4CCCC4)nnc3c2cc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKUKWIJAZRJSBE-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2nnc(Nc3ccccc3Cl)s2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXESMWXWOKCZLG-UHFFFAOYSA-N", "SMILES:O=c1nc2sc3ccccc3n2c2ncccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5425561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKAVVQHSMHYMDJ-OHKUQIHYSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(-c3ccc(Cl)cc3)c(/C=N/c3ccc(/N=C/c4cn5c(c4-c4ccc(Cl)cc4)-c4cc(OC)c(OC)cc4CC5)cc3)cn1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBFDUYRSNDQIDN-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTZWZZVCSPVRA-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(N(CCC)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPRNGQFWFYBKJG-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCN1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZHSBIXFYUZBH-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAFSFPKTQDUWRU-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(N(CC)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPFPPOYYSLUVRR-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPCJVMFIBSCPEX-UHFFFAOYSA-N", "SMILES:CN(C(=O)OCc1ccccc1)C1CCCc2ccc(N3CCN(C4CCC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRQJVRBUGLSELM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUIJQIMQCYBNSN-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CCN1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHFZBPWDOBVQK-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCNVFLKUSJDOE-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(OC(=O)CCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDUADFNRMKCTHC-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)CCCC3N(C)C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHLUHFWTHSYQMO-UHFFFAOYSA-N", "SMILES:CN(C(=O)OCc1ccccc1)C1CCCc2ccc(N3CCN(CCCO)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZQOEMNLUIMOMX-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2cccc3c2CCCC3N(C)C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBDOVCBXHGQLL-UHFFFAOYSA-N", "SMILES:CN(C(=O)OCc1ccccc1)C1CCCc2ccc(N3CCN(C4CCCCC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZSPWPQCPSCQDJ-UHFFFAOYSA-N", "SMILES:CN(C(=O)OCc1ccccc1)C1CCCc2ccc(N3CCN(C4CCCC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDMAPPHDRVTQZ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQNDTPUICTGJT-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(N(CCCCCCCCCCCN)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFCRKESJGXTNRJ-BWKNWUBXSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFCRKESJGXTNRJ-SQJMNOBHSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOSYOMCKUIBLLI-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(OCCCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAFPFIDIUUNHT-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(N(CCC(=O)OCC)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTIFFIMMRZJHB-JXMROGBWSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(OC/C=C/c2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKOXIRMIMDMSMA-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(N(CCCO)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSWACPNCFYQEES-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKJLDLVLKZPKP-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(N(C)C(=O)CCc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYSZLXOHEWPTDC-NTCAYCPXSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(N(C)C(=O)/C=C/c2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJZKUBRAMHOLNY-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ccc3c(c2)C(N(C)C(=O)Cc2ccccc2)CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJINBMWMVTAJD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNc2ccccc2CCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZQGHXSVIRCCI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(CNc2ccccc2CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNKHBAKQFFWOL-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NCc2cccc(C(=O)O)c2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIEBZSUOZQQQNQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NCc2cccc(C(=O)O)c2)c(CCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFFPTYHGBJXJQV-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Nc2cccc(OP(=O)(O)O)c2)cc1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABNQFRHZKAVCN-UHFFFAOYSA-N", "SMILES:CCCCC(CCCC)CNc1ccc(C(=O)Nc2cccc(OP(=O)(O)O)c2)cc1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNMCABVMPXSSA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCCCc2ccccc2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFLEYMRPSPKKG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(C(=O)Nc3cccc(OP(=O)(O)O)c3)cc2CC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYQUVCXBZCASZ-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2ccc(C(=O)Nc3cccc(OP(=O)(O)O)c3)cc2CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYAVDKKZSJQYJD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCc2cccc(F)c2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYRSUQXOABGFD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCc2ccc(F)cc2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFQOJAWNVHOTHA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCc2ccc3ccccc3c2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URUOOVBSBJTEPH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIQKVCXCNJZMFV-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccc(CNc3ccc(C(=O)Nc4cccc(OP(=O)(O)O)c4)cc3CC3CCCCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATHJXZEOLTJLV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCc2ccc(-c3cccc(Cl)c3)cc2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTCJCOBEUJRCDH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCc2ccc(-c3cccc(F)c3)cc2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEYCFTOALMSSMR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCc2cc3ccccc3o2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXQXBVACSIQXHE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCc2cccnc2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVGDJXKNLBPMGB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCc2ccc(F)cc2)c(Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLDQDNPDYCEJFJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NCc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTDGWHPRTOZRSM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OP(=O)(O)O)cc1)c1ccc(NCc2ccc(F)cc2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUTQNCGWHGABIE-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(OP(=O)(O)O)cc1)c1ccc(NC(=O)c2ccc(F)cc2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQYPQXQWDNWSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1ccc(CNc2ccc(C(=O)Nc3cccc(OP(=O)(O)O)c3)cc2CC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAHMQSGMFLRPQG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1cccc(CNc2ccc(C(=O)Nc3cccc(OP(=O)(O)O)c3)cc2CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVFABAWXXWHVBI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1cccc(CNc2ccc(C(=O)Nc3cccc(O)c3)cc2CCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGURBURQMJTAA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1cccc(CNc2ccc(C(=O)Nc3cccc(OP(=O)(O)O)c3)cc2CCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKEFTGYAARZNRJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1cccc(CNc2ccc(C(=O)Nc3cccc(OP(=O)(O)O)c3)cc2C2CC3CCC2C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYRINUAHRGGBQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)OCO2)c1cccc(CNc2ccc(C(=O)Nc3cccc(OP(=O)(O)O)c3)cc2CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWVKNNTZUWRBR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1cccc(CNc2ccc(C(=O)Nc3cccc(OP(=O)(O)O)c3)cc2CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHGNJZAJXMEYPC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc(OP(=O)(O)O)c3)cc2CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZFCRXMWZJNLSJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(OP(=O)(O)O)c1)c1ccc(NC(=O)c2cccc(CNc3cccc(Cl)c3)c2)c(CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJFURLFXXXOPN-FLWNBWAVSA-N", "SMILES:Cc1ccc(F)cc1/N=N\\c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZFEVDAZJQEKK-DQSJHHFOSA-N", "SMILES:O=C(c1ccc(/N=N\\c2ccccc2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXDUWLBWVWDJI-ZIADKAODSA-N", "SMILES:Cc1ccccc1/N=N\\c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCJAOLEFGIAPF-YHZPTAEISA-N", "SMILES:O=C(c1ccc(/N=N\\c2ccccc2-c2ccccc2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVFDSRRKNMRSY-ZIADKAODSA-N", "SMILES:Cc1cccc(/N=N\\c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAOMXJMVMKJNA-YHZPTAEISA-N", "SMILES:O=C(c1ccc(/N=N\\c2cccc(-c3ccccc3)c2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVWYOGGBJPAVTG-ZIADKAODSA-N", "SMILES:Cc1ccc(/N=N\\c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMZJYCVCIZISB-ZIADKAODSA-N", "SMILES:O=C(c1ccc(/N=N\\c2ccc(F)cc2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQQKMMSUJDMZDQ-MVJHLKBCSA-N", "SMILES:O=C(c1ccc(/N=N\\c2ccc(C(F)(F)F)cc2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBHJVGWTUZPNQ-YHZPTAEISA-N", "SMILES:O=C(c1ccc(/N=N\\c2ccc(-c3ccccc3)cc2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJJFURLFXXXOPN-QVIHXGFCSA-N", "SMILES:Cc1ccc(F)cc1/N=N/c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZFEVDAZJQEKK-BYYHNAKLSA-N", "SMILES:O=C(c1ccc(/N=N/c2ccccc2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXDUWLBWVWDJI-ZQHSETAFSA-N", "SMILES:Cc1ccccc1/N=N/c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCJAOLEFGIAPF-JEIPZWNWSA-N", "SMILES:O=C(c1ccc(/N=N/c2ccccc2-c2ccccc2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVFDSRRKNMRSY-ZQHSETAFSA-N", "SMILES:Cc1cccc(/N=N/c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAOMXJMVMKJNA-JEIPZWNWSA-N", "SMILES:O=C(c1ccc(/N=N/c2cccc(-c3ccccc3)c2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVWYOGGBJPAVTG-ZQHSETAFSA-N", "SMILES:Cc1ccc(/N=N/c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMZJYCVCIZISB-ZQHSETAFSA-N", "SMILES:O=C(c1ccc(/N=N/c2ccc(F)cc2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQQKMMSUJDMZDQ-QNEJGDQOSA-N", "SMILES:O=C(c1ccc(/N=N/c2ccc(C(F)(F)F)cc2)cc1Cl)N1Cc2cccn2Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOOWPFFEEGEWOJ-NLOKQOSYSA-L", "SMILES:CCCCCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCCCCCCCC)O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)CCCCCCCCC.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJAFZCSAFKGDRN-DCHFTVQOSA-L", "SMILES:CCCCCCCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)CCCCCCCCCCC.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQCQOVKCKSBBF-KBIWCTOCSA-L", "SMILES:CCCCCCCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCCCCCCCC)O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)CCCCCCCCC.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECVTEFSCROSHA-HMVQDCFSSA-L", "SMILES:CCCCCCCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCCCCCCCCCC)O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)CCCCCCCCCCC.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZFCOLSNRZTTSB-RGXMNYPISA-L", "SMILES:CCCCCCCCCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCCCCCCCCCCCC)O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)CCCCCCCCCCCCC.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4441118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPKSNNJTKPIZKR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(N)c3c(-c4ccc5scnc5c4)csc23)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTLDBJIOSYXRR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)ncn2-c1ccc(CC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZJGOZHZJNQGS-UHFFFAOYSA-N", "SMILES:Cl.O=S1(=O)C=C(C2CC2)c2cc3nccc(Nc4ccc5scnc5c4)c3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL395358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDBTNDUTIFYHL-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1Nc1ccnc2cc(-c3ccccn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCBMXBZZXJYVCE-MRXNPFEDSA-N", "SMILES:Nc1nccnc1C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHUUKHZUNKSQA-UHFFFAOYSA-N", "SMILES:O=C1CCSc2ccc(Cl)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4244103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQQQPLUFBVYLRE-UHFFFAOYSA-N", "SMILES:OCc1ccc(-n2cccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173974", "category": ["biolink:ChemicalEntity"], "name": "ASTX-660", "xref": ["InChIKey:YCXOHEXZVKOGEV-DNRQZRRGSA-N", "SMILES:C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1"], "synonym": ["Tolinapant", "Astx 660", "Astx-660", "Astx660", "ASTX-660", "ASTX660"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNCYXPMJDCCGSJ-UHFFFAOYSA-N", "SMILES:O=C1CCCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVLITBTBDPEFK-UHFFFAOYSA-N", "SMILES:O=C1CCNC(=O)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL344042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFORVFSTILPAW-UHFFFAOYSA-N", "SMILES:O=C1CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKRZNOGGALENQJ-UHFFFAOYSA-N", "SMILES:CC(=O)NC(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5393959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRIXNSRWUWDHHQ-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1nc(F)c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJMFCWTSPLZIM-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1nc(Cl)c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQWDYJXNUOECS-KRWDZBQOSA-N", "SMILES:C[C@](O)(Cn1nc(Cl)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKWHLNEWAOASP-QHCPKHFHSA-N", "SMILES:C[C@](O)(Cn1c2ccccc2c2ccccc21)C(=O)Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFBXSIGGSRZRF-QHCPKHFHSA-N", "SMILES:C[C@](O)(Cn1c2ccccc2c2ccccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIYLLRIKAEYSW-QHCPKHFHSA-N", "SMILES:C[C@](O)(Cn1c2ccccc2c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPIAWHXMDYEOKF-QHCPKHFHSA-N", "SMILES:C[C@](O)(Cn1c2ccccc2c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPXNEXUQVCEURA-QHCPKHFHSA-N", "SMILES:C[C@](O)(Cn1c2ccc(F)cc2c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGNNOXMNCRUDQ-KRWDZBQOSA-N", "SMILES:C[C@](O)(Cn1nc2ccc(F)cc2n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUVPJJYIDIDMKW-KRWDZBQOSA-N", "SMILES:C[C@](O)(Cn1nnc2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWWFQWFXIZFSU-KRWDZBQOSA-N", "SMILES:C[C@](O)(Cn1nnc2ccc(F)cc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYMQPZPYVJYSP-KRWDZBQOSA-N", "SMILES:C[C@](O)(Cn1nnc2cc(Br)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAWBMXWWQANKPE-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1cnc2cc(F)c(F)cc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEMBTHQRHPHGDC-SFHVURJKSA-N", "SMILES:C[C@](O)(Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVTUUMVGVLXKB-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1cnc2c(F)cccc21)C(=O)Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXAUZBWJPSHYBU-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1cnc2cccc(F)c21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPORSUGAQSOCP-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1cnc2c(F)cccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISMMJGKANCRQFV-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1cnc2cccc(C(F)(F)F)c21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEBWHQBMPXQETN-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1cc(F)c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPCUPSWQUHUJV-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1cc(Cl)c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYPJZPHHOFYPLO-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1ccc2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBKSXUQVLOBBT-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1cc(C=O)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBTJEKMZLWRWSC-HIANKKKTSA-N", "SMILES:C[C@](O)(Cn1cc(/C=N\\O)c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYWSGESZQBYGGL-PIPMBFSDSA-N", "SMILES:C[C@](O)(Cn1cc(/C=N\\O)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFTVHONZBVQLAK-UFFNXBFHSA-N", "SMILES:CC(=O)N/N=C\\c1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRIUEMOWTKOKFW-FQEVSTJZSA-N", "SMILES:C[C@](O)(Cn1cc(C#N)c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQRHMXJUBAVRCI-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1cc(C#N)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNCWHABWKHOMP-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1cc([N+](=O)[O-])c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHGVQKXKSITHY-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1ncc2c(F)cccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIXDPLKFRUYHN-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1cc2c(C(F)(F)F)cccc2n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEAUZOSUDNXMF-KRWDZBQOSA-N", "SMILES:C[C@](O)(Cn1nc(F)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYDQAZRRWAXEQ-KRWDZBQOSA-N", "SMILES:C[C@](O)(Cn1nc(Br)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGCNZWMJGFCGCY-KRWDZBQOSA-N", "SMILES:C[C@](O)(Cn1nc(I)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVHHRCENKTHRA-SFHVURJKSA-N", "SMILES:Cc1nn(C[C@](C)(O)C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOQRZYMIJPYQKN-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1nc(Cl)c2c(C(F)(F)F)cccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHVQUDCXGLFOY-KRWDZBQOSA-N", "SMILES:C[C@](O)(Cn1nc(Cl)c2c(C(F)(F)F)cccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQNRMAKANOQKO-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1nc(C=O)c2cc(F)ccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFOQSHMUEGCJMI-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1nc(Cl)c2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAXZYVGQYZDTFR-FQEVSTJZSA-N", "SMILES:Cc1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFWNEEFKVCGGMU-IBGZPJMESA-N", "SMILES:C[C@](O)(Cn1cc(F)c2ccccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWLHVZRZVRPIE-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1ncc2c(C(F)(F)F)cccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESSNGFAVKOMNT-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1cnc2c(C(F)(F)F)cccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKRCWCBKCBEPG-SFHVURJKSA-N", "SMILES:C[C@](O)(Cn1cc2c(F)cccc2n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUOVHJVNYPRNQS-SHUILBLCSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPFGVNKHCLJJO-KNXBSLHKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMCRYCCYXHPQF-PSMGCFDQSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1OCC#CC#CCO[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWRMUKBEYJEIX-UPHQQFKWSA-N", "SMILES:CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@H]2C[C@@H](O)CN2C(=O)[C@@H](CC)NC(=O)[C@@H](C)NC)[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXJXGNXKOVBJV-VOWIGGHWSA-N", "SMILES:CN[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)NCCCCCCNC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](C)NC)C1CCCCC1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGLZJRTHJUXGD-SYKJUXEKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2cccc(OCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)c2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLGHZFKRWUEFEG-VHJSXLBMSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2cccc(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)c2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQALTGLBSIEOC-OCRWVKTDSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2cccc(OCCCCCCOCCCCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)c2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATOONUJKMJPPV-IHTYRUMXSA-B", "SMILES:O=C(O[C@@H]1[C@H](OC(=O)c2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c2)[C@@H](OC(=O)c2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c2)[C@H](OC(=O)c2ccc(OS(=O)(=O)[O-])cc2OS(=O)(=O)[O-])[C@@H](OC(=O)c2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c2)[C@H]1OC(=O)c1cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c1)c1cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSMUPMANKNAMAS-UHFFFAOYSA-J", "SMILES:Cc1ccc(C(=O)Nc2ccc(CP(=O)([O-])O)cc2CP(=O)([O-])O)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(CP(=O)([O-])O)cc4CP(=O)([O-])O)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMCMLNRWDKUDB-UHFFFAOYSA-H", "SMILES:O=C(Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)cc2)cc1)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1159792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBGYLQUPCECLW-HUUCEWRRSA-N", "SMILES:O=S(=O)(O)Oc1cc2c(c(OS(=O)(=O)O)c1)C[C@@H](OS(=O)(=O)O)[C@@H](c1ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBGYLQUPCECLW-LSDHHAIUSA-N", "SMILES:O=S(=O)(O)Oc1cc2c(c(OS(=O)(=O)O)c1)C[C@H](OS(=O)(=O)O)[C@@H](c1ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEXUEFDPVHGHE-GGMCWBHBSA-L", "SMILES:COc1cc(CCCS(=O)(=O)[O-])ccc1O[C@H](Cc1cccc(OC)c1O)CS(=O)(=O)[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1851651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYKRGOFOSPCYMJ-UHFFFAOYSA-N", "SMILES:COc1cc2oc(C)c(C(=O)OC(C)(C)C)c2cc1OCc1oc2cc(OC)c(OS(=O)(=O)O)cc2c1C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLOPGCHKBVOOBV-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(OCCCCn3cc(COc4ccc(-c5oc(=O)c6c(Cl)cc(Cl)cc6c5-c5ccccc5)cc4)nn3)ccc2c(-c2ccccc2)c1-c1ccc(OS(=O)(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACWOMSOYIIVIRV-UHFFFAOYSA-N", "SMILES:CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC(N5CCN(C)CC5)CC4)cc3OC)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOXPLNRWIHHHBO-CHCOZFFLSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCN2CCN(c3ccc4c(C5CCN(C(=O)c6ccc(OC(F)(F)F)cc6N)CC5)ncnc4c3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3104250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKUDGJUBIVEDTF-FYJGNVAPSA-N", "SMILES:C/C(=N\\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZNLIDYKYZVFB-OQKWZONESA-N", "SMILES:O=C(N/N=C1\\CCc2c(Cl)ccc(O)c21)c1cccc(S(=O)(=O)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOISINYXKTVMBM-UHFFFAOYSA-N", "SMILES:Cl.NC1CC1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIYMMGVHUXPXCV-FIPALRBNSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](CC[C@@]3(C)O[C@@H]23)C1(F)F"]}
{"name": "Pyruvate kinase PKM", "xref": ["CHEMBL.TARGET:CHEMBL5465259"], "id": "UniProtKB:P52480", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLFJYYDDWJDKG-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCCN(C)CC3)nc(NCc3c(C)cc(C)[nH]c3=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWPNABDQLFDLZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCc3c(C)cc(C)[nH]c3=O)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGPGULICCQCSV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVADAMYVYABPG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2ccc(-c3cccc4ccccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXYSXKJWZKQHHF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWCYBPTZKUWMS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(S(N)(=O)=O)c2)ccc1-c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDGXTYNWIXJHRU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(S(N)(=O)=O)cc2)ccc1-c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALORJYJIQPGGSQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(S(N)(=O)=O)s2)ccc1-c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUOJBHQVRBQCT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2ccc(-c3cccc4ncccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQLJBTHPQRDMLR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2ccc(-c3cccc4ncccc34)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQWZCRCWXXGKCN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(S(N)(=O)=O)s2)ccc1-c1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTSHTWLKOSYTEV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(S(N)(=O)=O)c2)cnc1-c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOXCLFZEUIMFJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(S(N)(=O)=O)cc2)cnc1-c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPDJFQOEEMDFDH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(S(N)(=O)=O)s2)cnc1-c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBQWYQWUVBYRAC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(S(N)(=O)=O)s2)cnc1-c1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUVPYPNAYVLIAX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(S(N)(=O)=O)s2)cnc1-c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONHRDHLRXQTMC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(S(N)(=O)=O)s2)ccc1-c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBZVKFQSSXFAS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2ccc(-c3ccnc4ccccc34)cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZTGBCYDMXHKOW-FQEVSTJZSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CCOCC5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIPMJYXLUAZAW-LGHDPPOTSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5C6CCC5COC6)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOPHZQDWCEBMO-LGHDPPOTSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CC6CCC(C5)O6)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTUULHQULDBUET-XCNDVJPKSA-N", "SMILES:CC(=O)N1CC2CCC(C1)N2c1ncc(Cl)c(Nc2ccc3c(c2)c2c(c(=O)n3C)OCC(F)(F)[C@H](C3CC3)N2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYIQZYNTSIGKMS-XCNDVJPKSA-N", "SMILES:CC(=O)N1C2CCC1CN(c1ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSEFNIYZBRIBKB-HGFRQNNFSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5[C@@H]6COC[C@H]5C[C@H](O)C6)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMBGAUXQNOXKIW-IBGZPJMESA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CCC5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBUBWTJMDIZQJI-FQEVSTJZSA-N", "SMILES:COC1CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNUQAESGHXAITM-SFHVURJKSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CC(F)(F)C5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZGLMYCTCYVSQK-FQEVSTJZSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CC(C#N)C5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCRGNHRJSCJXDA-IBGZPJMESA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4nc(N5CC(F)C5)ncc4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJMRCTZDBCUHT-SFHVURJKSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMCXQPBZVFQDAA-FQEVSTJZSA-N", "SMILES:Cc1nccc(Nc2ccc3c(c2)c2c(c(=O)n3C)OCC(F)(F)[C@H](C3CC3)N2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCRHRRIGPAVFNY-SFHVURJKSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(F)c4Cl)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTJKITJOSCGZOP-SFHVURJKSA-N", "SMILES:Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4F)ccc31)N[C@@H](C1CC1)C(F)(F)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNIGFZOTWOVBHD-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1ccccc1-c1ccc(C3CC3)cc12"]}
{"name": "Aldo-keto reductase family 1 member A1", "xref": ["CHEMBL.TARGET:CHEMBL2246"], "id": "UniProtKB:P14550", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269455", "category": ["biolink:ChemicalEntity"], "name": "IMIRESTAT", "xref": ["InChIKey:QCCHBHSAIQIQGO-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(F)cc12"], "synonym": ["Imirestat", "AL-1576", "HOE 843", "HOE-843"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCEWUJXJXVCTRE-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDJJQDWERNWGPC-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1ccccc1-c1c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBCZRBSJSFIKOG-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1cc(OC3COC3)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAISIIHNERUKLW-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1c(-c3cn(C4CCCC4)nn3)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHMJRGBMFABNSZ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1c(OCC(=O)N3CCC3)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZRCUYTCRFOAI-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1ccc(OCC(=O)N3CCC3)cc1-c1ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUDRURPKZJLPT-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cc(F)cc2c1-c1ccc(F)cc1C21NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OISDOPRQFQUOJX-UHFFFAOYSA-N", "SMILES:O=C(O)COc1cc2c(cc1F)C1(NC(=O)NC1=O)c1cc(F)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPJMEDWDFMGBJ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(O)c(F)cc2c1-c1ccc(F)cc1C21NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMLWPDMEINNJJ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1ccc(OCCO)cc1-c1ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJADKNOKSKGAT-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc2c(c1)-c1ccc(F)cc1C21NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHAAXLEIOHSNH-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHXKGDYKLLNTH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-c1ccc(F)cc1C21NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRBFTIKGXYNFBV-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1cc(C3CC3)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHKRCBDKKVBOZ-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1cc(Cl)ccc1-c1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUVZDKJSNXNAPA-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(C3CCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDZFFKAODGORHK-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(C3CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUOWDNGWGDUKH-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C2(N1)c1ccccc1-c1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWIPYBIIRTJMM-IBGZPJMESA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFQVJOVPPFUGMT-VWLOTQADSA-N", "SMILES:O=C(O)c1ccc(NC(=O)[C@H](CC2=CC=CCC2)n2ccc(-c3cc(Cl)ccc3-n3cnnn3)cc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPAKZDLGEHHCTC-IBGZPJMESA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTPAQVBXJDTTMW-GOSISDBHSA-N", "SMILES:O=C(O)c1ccc(NC(=O)[C@H](CC2CC2)c2ccc(-c3c(C(F)F)ccc(Cl)c3F)c[n+]2[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZZLEVNLUGKSFY-QFIPXVFZSA-N", "SMILES:O=C(O)c1cc2cc(NC(=O)[C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJAQNYBFISUTH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)C2CCc3cc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]([O-])c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHWGVJWRQQRST-DEOSSOPVSA-N", "SMILES:O=C(O)c1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNJCGVLQXVOKGX-VWLOTQADSA-N", "SMILES:O=C(O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2CCC(c3cc(Cl)ccc3-n3cc(Cl)nn3)=CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIWFVZSETXIFG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)C(Cc2ccccc2)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSQAIMYMMFHVBE-JMBMXREFSA-N", "SMILES:C[C@H]1COc2cn([C@@H](CC3CCCCO3)C(=O)Nc3ccc(C(N)=O)cc3)c(=O)cc2-c2c(ccc(Cl)c2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415591", "category": ["biolink:ChemicalEntity"], "name": "ONO-7684", "xref": ["InChIKey:YVACZLFZCFGMPP-QGZVFWFLSA-N", "SMILES:Nc1ccc(-c2nc([C@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)c(F)[nH]2)c(F)n1"], "synonym": ["Ono-7684", "ONO-5450598"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLRBAVZPDZQFGE-LJQANCHMSA-N", "SMILES:Nc1ccc(-c2cnc([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])[nH]2)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAXAYLGJRIWTSN-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2[nH]c(Cn3c4c(c(-c5cc(Cl)ccc5-n5cnnn5)cc3=O)C(=O)CC4)nc2F)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAHDOERJJYRORV-WIEQDCTASA-N", "SMILES:Nc1ccc(-c2nc([C@@H]3[C@H]4C[C@H]4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)c(F)[nH]2)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVBVJNOFZRDMX-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cnc(Cn3c4c(c(-c5cc(Cl)ccc5-n5cnnn5)cc3=O)OCC4)[nH]2)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYAYTTBATXVKFQ-FQEVSTJZSA-N", "SMILES:O=c1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)cc2n1[C@H](c1ccc(-c3ccnc(CO)c3F)[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKGFVMDHUZKHQ-UHFFFAOYSA-N", "SMILES:COc1cn(C(Cc2ccccc2)c2nc3cc(C(=O)O)ccc3[nH]2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYKYYIZLPRIANX-IQGLISFBSA-N", "SMILES:COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](c1ccc(-c3cc(Cl)ccc3-n3cc(C(F)(F)F)cn3)c[n+]1[O-])c1nc-2c(C)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQFRJLUJVLJEGC-GYCJOSAFSA-N", "SMILES:C[C@@H]1CCC[C@H](n2cnc(-c3cc(Cl)ccc3-n3cnnn3)cc2=O)c2cc(c3c(n2)OCCO3)-c2c(cnn2C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLVJEQBZZBFLDO-CRAIPNDOSA-N", "SMILES:C[C@@H]1CCC[C@H](c2ccc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)oc2=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITOFMQVQLFPQHC-PSUHBZLBSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c1-c1ccnc(c1)[C@@H](c1coc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc1=O)CCC[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVBAYOMZJYFJK-HSZRJFAPSA-N", "SMILES:CC(C)c1cc(COc2ccccc2CC(=O)O)cc(-c2ccc3c(c2)[C@H](N)CO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQFREVZNRVIIM-RUZDIDTESA-N", "SMILES:CC(C)c1cc(CCN2CCc3cccc(C(=O)O)c32)cc(-c2ccc3c(c2)[C@H](N)CO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKASBNFVFWUNOA-RPBOFIJWSA-N", "SMILES:CC(C)c1cc(-c2ccc3c(c2)[C@H](N)CO3)cc([C@@H](O)CN2CCc3cccc(C(=O)O)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHYYBVAUKWETK-INMHGKMJSA-N", "SMILES:CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSISHEWSCGEKCQ-SBHAEUEKSA-N", "SMILES:CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBZJFQJPRKRZES-UHFFFAOYSA-H", "SMILES:O=C(Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(OS(=O)(=O)[O-])c4cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c34)cc2)cc1)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(OS(=O)(=O)[O-])c4cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c34)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2008060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLXWGWWJSZLHRS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(CP(=O)(O)O)cc4CP(=O)(O)O)ccc3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBTKKWCXGRBUKR-FIPBQVIFSA-D", "SMILES:O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c2)[C@H](OC(=O)c2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c2)[C@@H](OC(=O)c2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c2)[C@@H]1OC(=O)c1cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c1)c1cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUVKZOIXCLAAG-IHTYRUMXSA-B", "SMILES:O=C(O[C@H]1[C@H](OC(=O)c2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c2)[C@H](OC(=O)c2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c2)[C@@H](OC(=O)c2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c2)[C@H](OC(=O)c2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c2)[C@H]1OC(=O)c1cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c1)c1cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVXQQMYEGMFRPY-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc(-c2[nH]c(Cn3ccc(-c4cc(Cl)ccc4-n4cnnn4)cc3=O)nc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWGDPYWDLOQQQ-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc(-c2[nH]c(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)nc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWHISHHLLHZOG-VWLOTQADSA-N", "SMILES:COc1nn([C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZJWAKZYDZIRR-RXTXSJHVSA-N", "SMILES:O=C(O)c1cc2cc(NC(=O)[C@H](Cc3ccc(N4CCN(C5CCC(O)CC5)CC4=O)cc3)N3CCN(c4cc(Cl)ccc4-n4cnnn4)C(=O)C3=O)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEYPZSRMRAZURC-FQEVSTJZSA-N", "SMILES:COCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)N1CC(=O)N(c2cc(Cl)ccc2-n2cc(Cl)nn2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZDKUHZJPGPZIX-HSZRJFAPSA-N", "SMILES:COC(=O)Nc1ccc(-c2cnc([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFDLZRZHPVGTMG-VGTADKHUSA-N", "SMILES:COC(=O)NCC[C@@H]1Cc2cccc(c2)[C@@H](n2cnc(-c3cc(Cl)ccc3-n3cc(C(F)(F)F)cn3)cc2=O)CCC[C@@H](C)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL71037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTQITSPGQORDA-NEPJUHHUSA-N", "SMILES:CC(C)(C)NC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCN=C(N)N)[C@H]2C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314583", "category": ["biolink:ChemicalEntity"], "name": "FRUNEXIAN", "xref": ["InChIKey:NYPSZHLKEMYZKK-XFJVYGCCSA-N", "SMILES:C[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)C1CCCCC1"], "synonym": ["Frunexian", "Frunexian", "Frunexian", "Ep 7041", "Frunexian", "EP-7041", "Frunexian"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGCJCGBJDQHKRA-FISMMAAMSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)NC(=O)C3(CC3)NC(=O)COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMMZNLFAOHLXKG-SWQWFPQGSA-N", "SMILES:COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OC[C@H](O)[C@H](O)COc3cccc2c3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZVVXKLUJZFAAE-NPYCNQADSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)c2cccs2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJTFEDDLJAUQLT-AKTKKGGCSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPRLHZAXQDONN-NKAWTWKPSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](c2ccsc2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYMQVELLPKEVTF-ZLSQYAPRSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)c2ccc(C)s2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMQVDNYVWNBAD-DBWZWNDFSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)s2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODCPHJTXOINEQZ-DBWZWNDFSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)c2ccc(Br)s2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEMIKQARMFWJGE-ZLSQYAPRSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)c2ccc(C#N)s2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJOGAGBJMYWIEF-XFCANUNOSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CN2CCOCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZSJYUQIMCWOG-FCSANXPSSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)c2ccc(C)s2)c2cccc(OCCN3CCOCC3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNEIEJWJOCHOPA-SERUURIWSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)s2)c2cccc(OCCN3CCOCC3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRIRUOTUARWLRH-UODIDJSMSA-N", "SMILES:CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)O)c1)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEIWCSGIZZQIHO-KWXIBIRDSA-N", "SMILES:C=CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)O)c1)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUUVVDLKBPWFG-WXFXOIAWSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(c2ccc(Cl)s2)C2CCCCC2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYSSIJKGXDGIE-DCEDVJGZSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)s2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOWRDKFVISJWEW-XDPFUSSXSA-N", "SMILES:CCc1ccc([C@H](C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2ccc(OC)c(OC)c2)c2cccc(OCC(=O)O)c2)c2cc(OC)c(OC)c(OC)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKDAHWQLNKXBQ-HOQVTEFISA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)c2ccc(C3CC3)s2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POAFNNRQISTGEJ-QUBOUHRKSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C2CCCCC2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHWSKQSORLKYDT-CHGPBTCRSA-N", "SMILES:COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(c2cccs2)C2CCCCC2)c2cccc(OCC(=O)O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXUZLXNKCOCTLH-UHFFFAOYSA-N", "SMILES:OC1CCCc2c1[nH]c1ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3439232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEYSGCPCPXAZDN-UHFFFAOYSA-N", "SMILES:CC(=O)NC1CCCc2c1[nH]c1ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKEYWPZHLQTWKU-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CNC2CCCc3c2[nH]c2ccc(F)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJLQLJKDOMDOX-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CNC2CCCc3c2[nH]c2ccc(F)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNNFNJEUSRISP-LOACHALJSA-N", "SMILES:O=C(NC1CCCc2c1[nH]c1ccc(F)cc21)[C@@H]1C=CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFRWKXRGFQDSX-UHFFFAOYSA-N", "SMILES:O=C(CC1CCCNC1)NC1CCCc2c1[nH]c1ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIRSYJHVBZKSP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCc2c1[nH]c1ccc(F)cc21)C1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXDPEBURBDTSGV-UHFFFAOYSA-N", "SMILES:Cl.Cl.Fc1ccc2[nH]c3c(c2c1)CCCC3NCCC1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITBLDHOCUMUAM-UHFFFAOYSA-N", "SMILES:Cl.Cl.Fc1ccc2[nH]c3c(c2c1)CCCC3NCC1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFADBXRYRIAHPK-UHFFFAOYSA-N", "SMILES:Cl.Cl.Fc1ccc2[nH]c3c(c2c1)CCCC3NCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QORNYTIHWIURKH-QLVYJNRTSA-N", "SMILES:CC(C)C[C@H](N)CC(=O)NC1CCCc2c1[nH]c1ccc(F)cc21.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICPAKRBBKWTDD-SCYKNNLXSA-N", "SMILES:O=C(NC1CCCc2c1[nH]c1ccc(F)cc21)[C@@H]1C=CCN1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQIJLSJIPIIUQY-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c3c(c2c1)CCCC3NCCC1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIYLVJBNTFZJPT-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c3c(c2c1)CCCC3NCC1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAXJJBDQLDTBPC-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c3c(c2c1)CCCC3NCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTWZTPLYSSDIF-CWQZNGJJSA-N", "SMILES:CC(C)C[C@H](N)CC(=O)NC1CCCc2c1[nH]c1ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPKZEWFQFHBIQI-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQOACVGYBPUNI-UHFFFAOYSA-N", "SMILES:O=C(O)COc1cccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDPCBOZKNZJHSL-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMTYJQKZZUYIGU-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXHVACBUJFXMBD-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUNKITZOJUAYSU-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXYOQYFSSSTMZ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHCAYTLNADBYKJ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITTMQKTZSHCLCU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWHPJKMIFTOFS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMHSDHTWWRYTN-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRMZSNBNJVHMKX-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(-c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHGKLNPKFIHCFF-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(OCc3c(-c4ccccc4C(F)(F)F)noc3C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQJGWDJICUHELP-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc(CC(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSEBVUAKQVWUKN-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2ccccc2OC(F)(F)F)c1COc1ccc(-c2ccc(CC(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDRMHBQJHYIIKX-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2ccccc2OC(F)(F)F)c1COc1ccc(-c2cccc(CC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGAEADFBNMIFF-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2ccccc2C(F)(F)F)c1COc1ccc(-c2ccc(CC(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFQRXOXNBQDNBC-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2cccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHWORJVJROIGJ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOMGMMMTPRNLX-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXOPBGILDOBPOA-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCSEYDQZUPAPK-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJPSSFSARYFFB-UHFFFAOYSA-N", "SMILES:Cc1cc(CC(=O)O)ccc1-c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFCECWGYZBYQB-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGKACLAVSATAEJ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNAHEWMYWZBSO-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASWQVVXWDRRWCD-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTVSAQRFFOBFIV-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1-c1ccc(CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQXXCCXXHUNOC-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(CC(=O)O)cc2)ccc1OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNGVDMYJKXLTKW-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2cccc(C3(C(=O)O)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCDOHMVOFODOS-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2cccc(-c3ccc(OCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LARYGRUNDDABMA-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2cccc(-c3ccc(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHXHXSLFCJVNR-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2ccccc2OC(F)(F)F)c1COc1ccc(-c2cccc(C3(C(=O)O)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJIDUMPCIZHRY-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMPGMZJBKGYLF-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1cccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEXRRHXLWBTIU-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVYECYYGJMRFV-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(N2CCC(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHMFNURPYMCDH-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(N2CCC(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)c1"]}
{"name": "Fatty acid-binding protein, liver", "xref": ["CHEMBL.TARGET:CHEMBL5421"], "id": "UniProtKB:P07148", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWKCVUFYCHSLR-QHCPKHFHSA-N", "SMILES:O=C(C1CC1)N1CCC[C@H](Nc2nccc(-n3c(-c4ccc5ccccc5c4)nc4ccc(O)cc43)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVXXVTKNDYEVAL-DEOSSOPVSA-N", "SMILES:CNC(=O)Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVJKHRAOBBOKV-QFIPXVFZSA-N", "SMILES:O=C(C1CC1)N1CCC[C@H](Nc2nccc(-n3c(-c4ccc5ccccc5c4)nc4c(F)cc(O)cc43)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIFPZJRPCSILQA-QHCPKHFHSA-N", "SMILES:N#CCc1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(N[C@H]2CCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLAIOPWFOOJHQ-QHCPKHFHSA-N", "SMILES:CNC(=O)Oc1cc(F)c2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIOPSNJZEUDPNX-JKIKHRAMSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@]1(C)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANQQKFLDBFMPRB-KLPWEJJQSA-N", "SMILES:CC[C@H](C)C(NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@]1(C)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIFJFNBTQSCGBM-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(OCCOCCNCc3ccccc3)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBZFUZSXKKUQNU-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1cc(CNCCOCCOc2ccc(-c3cc(=O)c4ccccc4o3)cc2)cc(N=[N+]=[N-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZTAHPQKFPPUOL-UHFFFAOYSA-N", "SMILES:C#CCNc1cc(C)cc2c(=O)cc(-c3ccc(OCCOCCNCc4ccc(C5(C(F)(F)F)N=N5)cc4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVRVCSIZOXOSNT-UHFFFAOYSA-N", "SMILES:C#CCNc1cc(C)cc2c(=O)cc(-c3ccc(OCCOCCN(Cc4ccc(C5(C(F)(F)F)N=N5)cc4)Cc4ccc(C5(C(F)(F)F)N=N5)cc4)cc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAKPOVQXRPESOW-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(OCCOCCNCc3ccc(C4(C(F)(F)F)N=N4)cc3)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTMSPKGWFNRHT-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(OCCOCCN(Cc3ccc(C4(C(F)(F)F)N=N4)cc3)Cc3ccc(C4(C(F)(F)F)N=N4)cc3)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWIOFRQQJLOZOT-UHFFFAOYSA-N", "SMILES:C#CCN(CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1)Cc1ccc(C2(C(F)(F)F)N=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXOGSZPJYPPPEV-UHFFFAOYSA-N", "SMILES:C#CCOc1cccc2oc(-c3ccc(OCCOCCNCc4ccc(C5(C(F)(F)F)N=N5)cc4)cc3)cc(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVFLFVBUYKEOX-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(OCCOCCOCCOCCOc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3)cc2)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSCZOMOCPAFABK-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(OCCOCCOCCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRRRKBQKGOFFAY-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(OCCOCCN(CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3ccccc3)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZKBTCQYBSXKFD-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccccc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXXAHZQJZKGCET-UHFFFAOYSA-N", "SMILES:CCNC(=O)Oc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDECOMYHPDABAC-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(=O)NC)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQLNYWUJHDKKSW-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(=O)NC3CC3)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKPVSXMCZMZIKN-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(=O)N(C)C)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVCCZHVUVJNRLU-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMTWRVDDBPJIFL-UHFFFAOYSA-N", "SMILES:CCCN(C)C(=O)Oc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWNQIXZIXVZHN-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)Oc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEDMNOZIAFUYSZ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(=O)NCc3ccccc3)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIVUGVGICZGKIU-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(=O)N(C)c3ccccc3)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVRKEQGOOXDCP-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(=O)N(C)Cc3ccccc3)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUFSIAYUSFOGS-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(OC(=O)N(C)CC)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXWJSDYNHWKGY-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(OC(=O)N4CCCC4)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWOQJYRYQBQGK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(OC(=O)N4CCC4)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXONRLFDMNUIOL-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(OC(=O)NC4CC4)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL486438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGUVZUNTGXISE-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(O)cc1)n2CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKQZAYMNLFAQOP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(O)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBGGMPGSBMYKE-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nc3cc(OC(=O)N(C)C)ccc3n2CCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRZSPSQDRXJKJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUSZWODXWRXGLV-UHFFFAOYSA-N", "SMILES:Cc1cc([N+](=O)[O-])c2oc(-c3ccc(OCCOCCNC(=O)OC(C)(C)C)cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDKMJQOXCCAZPB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCOCCOc1ccc(-c2cc(=O)c3c(OCc4ccccc4)cccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDAVLFRGUDYBFT-UHFFFAOYSA-N", "SMILES:NCCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL327209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHGLJXBLXNNCTE-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5409352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPAZMJTDPKOLV-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2cccc(OCc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYMKSWIHMLSUDQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccncc2)nc(-c2ccc(CN3CCN(CCO)CC3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKDGYNCHLGOIP-UHFFFAOYSA-N", "SMILES:COc1ccc(NS(=O)(=O)c2ccc(N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c([N+](=O)[O-])c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXXGEBPXQBMTIJ-NSCUHMNNSA-N", "SMILES:N#C/C=C/c1ccc2c(S(=O)(=O)n3nc(Nc4ccc(C#N)c(Cl)c4)nc3N)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNPHFZBQTXDQDC-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYGQMRAJVGLONJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nc(N)n(S(=O)(=O)c3cccc4cc(C#N)ccc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXADQUMQHAGXSJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(S(=O)(=O)n3nc(Nc4ccc(C#N)c(C#N)c4)nc3N)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKAWDEHFCQNJSK-CRNKYVSFSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTTWGJPVLDQEOW-CRNKYVSFSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNMTKCFCCBKIQ-KIHHCIJBSA-N", "SMILES:CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1Cn2nncc2CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWBYYFKCXHSTPA-OUZQGACWSA-N", "SMILES:CCCC[C@H](NC(C)=N)C(=O)N[C@@H]1NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTQTHGUFFVUJL-XJYHXZFBSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEKDNNIMVADGLZ-HTAPYJJXSA-N", "SMILES:Cc1cc(-c2nc(NC(=O)N[C@H]3CCCNC3)cs2)ccc1OC[C@]1(C)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWGOPLZGUTPNJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cncc(-c3ccc(OCC4(C)CCOC4)c(C)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUOSKEKFHDHLQA-UHFFFAOYSA-N", "SMILES:N#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCc1nccn1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJBSHNDERMZPAL-UHFFFAOYSA-N", "SMILES:CN(C(=O)CNc1nc(C(F)(F)F)cc(C(F)(F)F)c1C#N)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMTRDJCQYPWYTO-UHFFFAOYSA-N", "SMILES:Cc1nc(SCC(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJOIPSXLPMGHHM-AWEZNQCLSA-N", "SMILES:CN(C(=O)[C@@H]1CCCN1c1cc(C(F)(F)F)cc(C(F)(F)F)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSJASXCDJBQKB-SJCJKPOMSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](O)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTZBMMXRLZGFTL-AWEZNQCLSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2c2nc(Cl)cn2-c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLNKXRDCCFCECV-UHFFFAOYSA-N", "SMILES:Cc1nc(NCC(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVVIWDGLFTWNHC-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2nccn2-c2ccccc2)c(C#N)c(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYOBTGXWIKTOM-HNNXBMFYSA-N", "SMILES:CN(C(=O)[C@@H]1CCCN1c1cc(C(F)(F)F)ccn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWXRFUGTIFEPC-SFHVURJKSA-N", "SMILES:Cc1cccc(N(C)C(=O)[C@@H]2CCCN2c2nc(C)cc(C(F)(F)F)c2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEPWAAYAIWGPLX-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc(Cl)cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOZPFDGNXHSYPP-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc(Cl)cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFPNXIZGZFXKBJ-UHFFFAOYSA-N", "SMILES:Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGWOBZAGKBWMH-PGWJBFNOSA-N", "SMILES:COc1cccc(-c2cc(C(=O)N[C@H]3CC[C@H](c4ccc(OC5CCNCC5)cc4)CC3)ccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBDAFERRCJVPKI-QGZVFWFLSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXCMRGVHAPQEI-HSZRJFAPSA-N", "SMILES:Cc1cc(Nc2ncc3c(C)c(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRBUNAQURTASH-HSZRJFAPSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXJLSUQYJNHRCZ-RUZDIDTESA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4cccc(Cl)c4)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUARQDOWYKXWKP-RUZDIDTESA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccc(Cl)cc4)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGSKJGKZNQTJM-RUZDIDTESA-N", "SMILES:Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc2n(C[C@H]2CCCO2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUFBSXWWYDZIN-AREMUKBSSA-N", "SMILES:Cc1cccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc3n(C[C@H]3CCCO3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMEUBOVYQCYSLY-AREMUKBSSA-N", "SMILES:Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc3n(C[C@H]3CCCO3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNDCXSIZGKFIOJ-HSZRJFAPSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4F)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGYUMBPTKHMTO-HSZRJFAPSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4Br)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJDUWPBKXQNRW-HSZRJFAPSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4I)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFEHMKJYMWXXNH-RUZDIDTESA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4C#N)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGXMWIQNGJSME-HSZRJFAPSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4[N+](=O)[O-])c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADJBPEKPTGJHEH-HSZRJFAPSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4C(F)(F)F)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSIZUPXUTYIFPS-HSZRJFAPSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4OC(F)(F)F)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIOXKTHGSNIDAO-XMMPIXPASA-N", "SMILES:COc1ccccc1-c1cc2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc2n(C[C@H]2CCCO2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBTBIZLVEHXSKG-HSZRJFAPSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4N)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOIIPLSUSNDRZ-RUZDIDTESA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFZBGPGTKINHC-LJQANCHMSA-N", "SMILES:Cc1cccc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJSLEYWUYXGDOZ-OAHLLOKOSA-N", "SMILES:Cn1ccc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDJURETZGYVHCI-CQSZACIVSA-N", "SMILES:CCNc1ncc2cc(-c3ccccc3Cl)c(=O)n(C[C@H]3CCCO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBHVRJSCRCHHH-RUZDIDTESA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCC(N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZICITLRPCLCEM-XMMPIXPASA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWPSBCPXRFYCKK-MUUNZHRXSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCC(N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYXHDHBMMSDCX-OAQYLSRUSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4cc(-c5ccccc5Cl)c(=O)n(C[C@H]5CCCO5)c4n3)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPXSIMSNXLSBP-JOCHJYFZSA-N", "SMILES:COc1cc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQHJDZWXLVUSBJ-HSZRJFAPSA-N", "SMILES:CCOc1cc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUKPVOGNIOGBQ-XMMPIXPASA-N", "SMILES:CC(C)Oc1cc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMJVFVVKNIVDNQ-AREMUKBSSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4cc(-c5ccccc5Cl)c(=O)n(C[C@H]5CCCO5)c4n3)cc2OC2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJLFKUSWFFZLW-JOCHJYFZSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(-c3ccccc3Cl)c(=O)n(C[C@H]3CCCO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGINQPUFJYKMOV-HSZRJFAPSA-N", "SMILES:CCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(-c3ccccc3Cl)c(=O)n(C[C@H]3CCCO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHPHCPPHHPPQY-AREMUKBSSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4cc(-c5ccccc5Cl)c(=O)n(C[C@H]5CCCO5)c4n3)c(OC3CCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKVIQQHCOACDF-SSEXGKCCSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4cccc(NC(=O)c5ccccc5)c4C)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSZBQRMHRUSIR-WJOKGBTCSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4cccc(NC(=O)c5ccccc5)c4)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLXETQWPBCBOX-WJOKGBTCSA-N", "SMILES:Cc1cc(Nc2ncc3cc(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)c(=O)n(C[C@H]4CCCO4)c3n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGBWSRCIMCMTI-SSEXGKCCSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)c(=O)n(C[C@H]3CCCO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONKBVWJPIOCJX-WJOKGBTCSA-N", "SMILES:CCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)c(=O)n(C[C@H]3CCCO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJVGETZWVRPNOL-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c(Sc3ccccc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJHJUQFGJIBACB-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c(Sc3ccccc3O)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQFVEKBTGLFNJC-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c(Sc3cccc(Br)c3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKYLUJQHBPCTBR-UHFFFAOYSA-L", "SMILES:O=c1[nH]cnc2c(SCCOCP(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFXYQNSMCGQHGZ-UHFFFAOYSA-L", "SMILES:O=c1[nH]cnc2c(SCCOCCP(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENLANWPJONOQC-UHFFFAOYSA-L", "SMILES:O=c1[nH]cnc2c(Sc3ccccc3CP(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJHDFEXUSDICLP-TXOOBNKBSA-L", "SMILES:O=c1[nH]cnc2c(Sc3ccccc3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYFVPISJNRIYPE-UHFFFAOYSA-L", "SMILES:O=c1[nH]cnc2c(Sc3ccccc3OCP(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLMRPCRDZRZGS-UHFFFAOYSA-L", "SMILES:O=c1[nH]cnc2c(Sc3cccc(P(=O)([O-])[O-])c3)c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUPTKYGKGZJPD-UHFFFAOYSA-L", "SMILES:O=c1[nH]cnc2c(Sc3ccccc3COCP(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFMVZUOGQGCMR-CZEFNJPISA-L", "SMILES:O=c1[nH]cnc2c(Sc3cc(O)ccc3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYHZKUSGGQXFFR-SFKRKKMESA-L", "SMILES:COc1ccc(/C=C/P(=O)([O-])[O-])c(Sc2c[nH]c3c(=O)[nH]cnc23)c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTNASSPQPPTLC-TXOOBNKBSA-L", "SMILES:CC(C)Oc1ccc(/C=C/P(=O)([O-])[O-])c(Sc2c[nH]c3c(=O)[nH]cnc23)c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXZYADDHBLVAPC-CZEFNJPISA-L", "SMILES:O=c1[nH]cnc2c(Sc3cc(Oc4c(F)c(F)c(F)c(F)c4F)ccc3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBPGSJTKKEDOJ-CZEFNJPISA-L", "SMILES:O=c1[nH]cnc2c(Sc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZFOPDXXVBGARF-CZEFNJPISA-L", "SMILES:O=c1[nH]cnc2c(Sc3ccc(O)cc3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBIRGKQQSVRIR-SFKRKKMESA-L", "SMILES:COc1ccc(Sc2c[nH]c3c(=O)[nH]cnc23)c(/C=C/P(=O)([O-])[O-])c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVNSAEBFNNPXFX-TXOOBNKBSA-L", "SMILES:CC(C)Oc1ccc(Sc2c[nH]c3c(=O)[nH]cnc23)c(/C=C/P(=O)([O-])[O-])c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXOCZXITZRIFY-CZEFNJPISA-L", "SMILES:O=c1[nH]cnc2c(Sc3ccc(Oc4c(F)c(F)c(F)c(F)c4F)cc3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUWPVSBSQQUOAG-CZEFNJPISA-L", "SMILES:O=c1[nH]cnc2c(Sc3ccc(OCc4c(F)c(F)c(F)c(F)c4F)cc3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJEDJEHDFQNZDC-SFKRKKMESA-L", "SMILES:O=c1[nH]cnc2c(Sc3cccc(O)c3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZJOTUKQWPFHU-KMXZHCNGSA-L", "SMILES:CC(C)Oc1cccc(Sc2c[nH]c3c(=O)[nH]cnc23)c1/C=C/P(=O)([O-])[O-].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBIDXKYBOHPUDZ-SFKRKKMESA-L", "SMILES:O=c1[nH]cnc2c(Sc3cccc(Oc4c(F)c(F)c(F)c(F)c4F)c3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZINFWMDJYYVGU-SFKRKKMESA-L", "SMILES:O=c1[nH]cnc2c(Sc3cccc(OCc4c(F)c(F)c(F)c(F)c4F)c3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWXCUSHHARJWFD-CZEFNJPISA-L", "SMILES:O=c1[nH]cnc2c(Sc3cc(Br)ccc3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWGSBQIYLPVBRG-CZEFNJPISA-L", "SMILES:O=c1[nH]cnc2c(Sc3ccc(Br)cc3/C=C/P(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDVYNLGPVNMIL-UHFFFAOYSA-L", "SMILES:O=c1[nH]cnc2c(Sc3cc(F)ccc3OCP(=O)([O-])[O-])c[nH]c12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJLFNSEPFGNCN-UHFFFAOYSA-L", "SMILES:COc1cccc(Sc2c[nH]c3c(=O)[nH]cnc23)c1OCP(=O)([O-])[O-].[Na+].[Na+]"]}
{"name": "Purine nucleoside phosphorylase", "xref": ["CHEMBL.TARGET:CHEMBL1169594"], "id": "UniProtKB:P9WP01", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKFOSTZJVNGDOE-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c(Sc3ccccc3CO)c[nH]c12"]}
{"name": "Purine nucleoside phosphorylase", "xref": ["CHEMBL.TARGET:CHEMBL5648"], "id": "UniProtKB:Q8T9Z7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWYNMJYSZBVKAI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc2cnn(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIMPMZJWTSUJSS-VMPITWQZSA-N", "SMILES:C/C=C/C(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc2cnn(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYPKAVVKLEPDY-UHFFFAOYSA-N", "SMILES:CC(C)=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc2cnn(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFDVSEGETYYVRJ-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc2cnn(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLPMIRVGWPEGIJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc2cnn(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEABPDFUBQTMR-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc2cnn(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWQIJHWANKHAQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(S(=O)(=O)CC)c4ccccc34)n2)cc2cnn(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUNSOIBLPUAWID-WEVVVXLNSA-N", "SMILES:C/C=C/C(=O)Nc1cc(Nc2nccc(-c3cn(S(=O)(=O)CC)c4ccccc34)n2)cc2cnn(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPQOGNWOBATAO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2ccnc(Nc3cc(NC(=O)C=C(C)C)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIGCZMZRGVFGG-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2nccc(-c3cn(S(=O)(=O)CC)c4ccccc34)n2)cc2cnn(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJTNJIJAUQAWSL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2ccnc(Nc3cc(NC(C)=O)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIUUYZMHTHSDTJ-UHFFFAOYSA-N", "SMILES:CCn1ncc2cc(Nc3nccc(-c4cn(S(=O)(=O)CC)c5ccccc45)n3)cc(NC(=O)C(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMGKJSLFCXPTF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2ccnc(Nc3cc(NC(=O)C4CC4)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWYNMJYSZBVKAI-GKOSEXJESA-N", "SMILES:[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIMPMZJWTSUJSS-LAYALFRESA-N", "SMILES:[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)/C=C/C)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYPKAVVKLEPDY-VPYROQPTSA-N", "SMILES:[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C(C)C)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFDVSEGETYYVRJ-GKOSEXJESA-N", "SMILES:[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)CC)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLPMIRVGWPEGIJ-GKOSEXJESA-N", "SMILES:[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(C)=O)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEABPDFUBQTMR-VPYROQPTSA-N", "SMILES:[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C(C)C)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIZYSCYKXQRLF-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C4CC4)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPAXULTMCVEFS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(S(=O)(=O)CC)c4ccccc34)n2)cc2cnn(CCN(CC)CC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXFPHRTJGNRAJ-VZUCSPMQSA-N", "SMILES:C/C=C/C(=O)Nc1cc(Nc2nccc(-c3cn(S(=O)(=O)CC)c4ccccc34)n2)cc2cnn(CCN(CC)CC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BODXOXAVPXLBFZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ncc2cc(Nc3nccc(-c4cn(S(=O)(=O)CC)c5ccccc45)n3)cc(NC(=O)C=C(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURDLSRKKGXNMF-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(Nc2nccc(-c3cn(S(=O)(=O)CC)c4ccccc34)n2)cc2cnn(CCN(CC)CC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMDGSRRQUURNEA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ncc2cc(Nc3nccc(-c4cn(S(=O)(=O)CC)c5ccccc45)n3)cc(NC(C)=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUJNIPOAQRNVHJ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ncc2cc(Nc3nccc(-c4cn(S(=O)(=O)CC)c5ccccc45)n3)cc(NC(=O)C(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFMFMUZIPUTSGN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ncc2cc(Nc3nccc(-c4cn(S(=O)(=O)CC)c5ccccc45)n3)cc(NC(=O)C3CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAATVIRNWUEMLJ-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ncc2cc(Nc3nccc(-c4cn(C)c5ccccc45)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJJRUUFXHXUSTK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3ccc4c(cnn4CCN4CCOCC4)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCVCPCRPWMOESL-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ncc2cc(Nc3nccc(-c4cn(C)c5ccccc45)n3)cc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZDGTIXOMHICHS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(Nc3cc(Cl)c4c(cnn4CCN4CCOCC4)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTUHNHNMFXADS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2ccnc(Nc3ccc4c(cnn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUNVNTWUHVKIKZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2ccnc(Nc3ccc4c(cnn4CCN4CCOCC4)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTZVBLBBDFDHQG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2ccnc(Nc3cc(Cl)c4c(cnn4CCN4CCOCC4)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQBJBBKLOWJKK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ncc2cc(Nc3nccc(-c4cn(S(=O)(=O)CC)c5ccccc45)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDRXYBLSALOCBI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ncc2cc(Nc3nccc(-c4cn(S(=O)(=O)CC)c5ccccc45)n3)cc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHFMATMXGNSWDX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2ccnc(Nc3ccc4c(cnn4CC(=O)N(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBYXMGCSYXBAQ-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ncc2cc(Nc3ncc(Cl)c(-c4cn(C)c5ccccc45)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUUUIZIYGVBIJV-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc3c(cnn3CCN(C)C)c2)nc1-c1cn(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLTWXHBMGFCTJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3ccc4c(cnn4CCN(C)C)c3)ncc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZBPQAIROTFIZ-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ncc2cc(Nc3ncc([N+](=O)[O-])c(-c4cn(C)c5ccccc45)n3)cc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRPPABOWUCHNI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGOBMVLOCMMQZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3ccc4c(ccn4CCN(C)C)c3)ncc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWYALXLLBPXFFL-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ncc2cc(Nc3ncc(C(F)(F)F)c(-c4cn(C)c5ccccc45)n3)cc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETCUDGHQDLIRZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3ccc4c(ccn4CCN(C)C)c3)ncc2C(F)(F)F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJMELIYHXIMKE-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3ncc([N+](=O)[O-])c(-c4cn(C)c5ccccc45)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTUWMPRFWLFKF-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3nccc(-c4c[nH]c5ccccc45)n3)cc(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOCZNLSXJHWTG-GCSHDQMLSA-N", "SMILES:N[11C](=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJXLIIMXHRJJH-OOYGVOESSA-N", "SMILES:CC(C)(O)[C@H]1C[C@@]23CC[C@]1(O[11CH3])[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFSOJZTUTOQNIA-JVVVGQRLSA-N", "SMILES:CCOC(=O)c1ncn2c1CN([11CH3])C(=O)c1cc(N=[N+]=[N-])ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6597", "category": ["biolink:ChemicalEntity"], "name": "Ro-154513", "xref": ["InChIKey:CFSOJZTUTOQNIA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(N=[N+]=[N-])ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMTTVVKRBMPEKS-YRAQSZOOSA-N", "SMILES:CCN(CC)C[C@@H]1CN(C(=O)CO[11CH3])CCN1C(=O)Cc1ccc(C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMTTVVKRBMPEKS-HXUWFJFHSA-N", "SMILES:CCN(CC)C[C@@H]1CN(C(=O)COC)CCN1C(=O)Cc1ccc(C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBFKKZGMWEMTF-HXUWFJFHSA-N", "SMILES:CCN(CCF)C[C@@H]1CN(C(=O)COC)CCN1C(=O)Cc1ccc(C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297337", "category": ["biolink:ChemicalEntity"], "name": "ORM-13070 C-11", "xref": ["InChIKey:VGIYMYGMVXPMKV-GWDMYEQXSA-N", "SMILES:[11CH3]OCc1cccnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1"], "synonym": ["11c-orm-13070", "Orm-13070 c-11", "(11C)ORM-13070", "11C-ORM-13070"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARTYZBLKDXNPKZ-BJUDXGSMSA-N", "SMILES:[11CH3]c1ccc(OC(=O)N2CCN3CCC2CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3235491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGWWGDIEUWCOR-LRFGSCOBSA-N", "SMILES:O=S1(=O)c2cc(N3CCN4CCC3CC4)ccc2-c2cccc([18F])c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEBAPYSUWLIPS-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(NCC(=O)Nc2ccccc2Sc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HORZNQYQXBFWNZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CC1NCCc3cc(OC)c(O)c-2c31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5406545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUALXAAMRXRQR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVXPMORGFYVOO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CC1NCCc3cc(OC)c(OC)c-2c31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL36496", "category": ["biolink:ChemicalEntity"], "name": "NORNUCIFERINE", "xref": ["InChIKey:QQKAHDMMPBQDAC-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1CC3NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5418359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXROVTJHTPSIGU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-c1c(OC)c(OC)cc3c1C(C2)NCC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1321247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZJRNLRASBVRRX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5398387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYRUUGIYJHJNM-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(c1OC)-c1ccc(O)cc1CC3NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5405741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQCRWDIUBHXFC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC1NCCc3cc(OC)c(OC)c-2c31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMDAGDIOLYERI-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(c1)-c1ccc(O)cc1CC3NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INOTZCJVEWMWSW-PMVMPFDFSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVQYOJRDKLZFX-UFYCRDLUSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOWCEOMANJKJZ-VABKMULXSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCNWRSIRXQATOS-UFYCRDLUSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPQYWBXQXMFFFJ-UFYCRDLUSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKZUSZXCLXTCW-IHPCNDPISA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H]2Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKKXYNIQZMJPL-VABKMULXSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEGFUVSPIZXAGI-HVCNVCAESA-N", "SMILES:CC(C)C[C@H]1c2[nH]c3cc(O[Si](C)(C)C(C)(C)C)ccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMRSEOGNDPWJDU-IHPCNDPISA-N", "SMILES:CC(C)C[C@H]1c2[nH]c3cc(O)ccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGWICNINPYHPJO-URORMMCBSA-N", "SMILES:Cc1ccc(S(=O)(=O)Oc2ccc3c4c([nH]c3c2)[C@H](CC(C)C)N2C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]2C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQUDCPQDRAEKX-PMVMPFDFSA-N", "SMILES:CCCOc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARKTIIMKCSZKS-NDENLUEZSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1cc(C(=O)c2ccccc2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOXPUAJSJWZSTB-ODLFYWEKSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1cc(C(=O)c2ccccc2[N+](=O)[O-])c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWLOTTFBGNKEMS-ODLFYWEKSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1cc(C(=O)c2ccccc2Cl)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKFHFUEGODDPY-MTJSOVHGSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1cc(C(=O)c2ccccc2C)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBHVGUYXAZIVHV-ZROIWOOFSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPIRFIRHBPBTQ-ZROIWOOFSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKRTSOVAYQRPV-ZROIWOOFSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVQIMXCPWMKAOY-WJDWOHSUSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQFSVZICPIRKFU-ZSOIEALJSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1cc[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAMIIRLOTPTEHM-JYRVWZFOSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBZNIIVLDDSLY-MLPAPPSSSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHZGYUPGDCONC-BOPFTXTBSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYWPOPCUGRJXFC-YVLHZVERSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXIDWSAFNKKQPK-GDNBJRDFSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1cccn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCIXFKDHTNXJOB-ZHZULCJRSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1cccn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEYNWVMZLGKQHY-GDNBJRDFSA-N", "SMILES:CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C(/C)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBJMRJCFGWDFKZ-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(C(=O)O)cc2)c(O)c1Cc1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXFAZAVSEGUCQE-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(C(=O)O)cc2)c(O)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIKJWZTJKDFGX-GDNBJRDFSA-N", "SMILES:CC(C)C1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSXRFQYJMTUKM-AQTBWJFISA-N", "SMILES:O=C(O)c1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc[nH]3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJIZHICJNUYOGU-RGEXLXHISA-N", "SMILES:O=C(O)c1ccc(N2N=C(Cc3ccccc3)/C(=C/c3ccc[nH]3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIFRKKATWVGFDI-ZROIWOOFSA-N", "SMILES:CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTOFKGVHSFAUJF-ZROIWOOFSA-N", "SMILES:CC1=NN(c2ccc(C(N)=O)cc2)C(=O)/C1=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTLRFYIZPFFPT-WJDWOHSUSA-N", "SMILES:CC1=NN(c2ccc(C(=O)N(C)C)cc2)C(=O)/C1=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRPMOCBBHORCH-WJDWOHSUSA-N", "SMILES:CC1=NN(c2ccc(C(=O)NCCO)cc2)C(=O)/C1=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDLRYMDJCVFNOQ-ZROIWOOFSA-N", "SMILES:CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJMHNCELFTSHJ-ZROIWOOFSA-N", "SMILES:CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPPGNUPHQUKJHF-UHFFFAOYSA-N", "SMILES:CC(C)C1=NN(c2ccc(C(=O)O)cc2)C(=O)C1Cc1cc(C(=O)c2ccccc2[N+](=O)[O-])c[nH]1"]}
{"name": "Histone acetyltransferase KAT6A", "xref": ["CHEMBL.TARGET:CHEMBL3774298"], "id": "UniProtKB:Q92794", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFDGANCYUCJNP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(O)c1)c1nc2ccc(F)c(F)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUYPZPKOMANHQ-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2nc3ccc(F)c(F)c3c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGJAZBSCAZODHR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc3ccc(F)c(F)c3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKLSYRANOOXIZ-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2nc3ccc(F)c(F)c3c(=O)[nH]2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZAJXMPARRSZBZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CCOc2c(F)ccc3nc(C(=O)NCc4cccc(O)c4)[nH]c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNHGVYGMFAREOF-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KREIDUQOLGDUHL-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4859817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFPFDQDMXPEAH-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBNLZFUJWJYDP-UHFFFAOYSA-N", "SMILES:COc1ccc(CCOc2c(F)ccc3nc(C(=O)NCc4ccc(OC)cc4)[nH]c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDNJCCVGVQBNKQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCOc2c(F)ccc3nc(C(=O)NCc4ccc(F)c(C)c4)[nH]c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAAPNBPHIOLYEB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(O)cc4)c3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXLTXBPZDIKJT-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(O)cc4)c3c(=O)[nH]2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYGJYFSWNEBQB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc3ccc(F)c(OCCF)c3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVQCEAOGAKVDKG-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2nc3ccc(F)c(OCCF)c3c(=O)[nH]2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFPCMFKRSZMPFZ-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(OCCF)cc3)ncn2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTMTASBCAONSQ-OTANJZTMSA-N", "SMILES:CCN(c1ccc(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSKBHDPMFJCDX-ZEFGHKTASA-N", "SMILES:CCN(c1ccc(OCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNZJRQWJRZTZQR-IVSMGQGBSA-N", "SMILES:CCN(c1ccc(OCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXRMRGVLDUYIQ-JMKICBMSSA-N", "SMILES:CCN(c1ccc(OCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTPQOIHVKILQDG-HJKIFDGESA-N", "SMILES:CCN(c1ccc(OCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDSSZDBWFRXBFB-MEEXYRAHSA-N", "SMILES:CCN(c1ccc(OCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZEOMXMBYXHDNR-XQHVLUPWSA-N", "SMILES:CCN(c1ccc(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYFQJBSENISAF-CVWNIFJYSA-N", "SMILES:CCN(c1ccc(OCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCPZXUMDSFQEH-ZCJNRZIHSA-N", "SMILES:CCN(c1ccc(OCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARMVDWHAUCFJAK-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OCCCCCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SASWGXHJGJADLI-OTANJZTMSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(O)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQHGFDIIGLBQA-XQHVLUPWSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(O)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSCYBCMYNNIXSU-CJKKCUOASA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(OCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAQRRCILZPBZTQ-UUFPENSBSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(OCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLCMEAUDHOQYJJ-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCDPLKMFCFXEV-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLCBVJUZZGUWKC-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGAJWEGKVCVUFT-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C2CCC(=O)NC2=O)cc1)NCCNC(=O)COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXFFMMXBIRMBT-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C2CCC(=O)NC2=O)cc1)NCCCCNC(=O)COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHARBMRRUALJFH-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C2CCC(=O)NC2=O)cc1)NCCCCCCNC(=O)COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCYFQJBSENISAF-RZLNUGDQSA-N", "SMILES:CCN(c1ccc(OCCCCCC(=O)N[C@H](C(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQHGFDIIGLBQA-XTORLZRJSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(O)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGXXRQNAGODTPD-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKPKXKDAWHWGRK-ITMZJIMRSA-N", "SMILES:CC1(C)C(/C=C2/C(=O)C(/C=C3\\N(CCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)c4ccccc4C3(C)C)=C2[O-])=[N+](CCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBAFTSMTMZWDK-STQMWFEESA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCNC(=O)c1ccc(F)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROXRILBFJQYPNZ-KBPBESRZSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJCRDJHAGVELIX-CMOCDZPBSA-N", "SMILES:O=C(O)CC[C@H](Nc1c(N[C@@H](CCCCNC(=O)c2cc(I)cc(C(=O)NCCCC[C@H](Nc3c(N[C@@H](CCC(=O)O)C(=O)O)c(=O)c3=O)C(=O)O)c2)C(=O)O)c(=O)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFKHLCFYAXPQH-ABLWVSNPSA-N", "SMILES:O=C(NC(CCCCNC(=O)c1ccc(I)cc1)C(=O)O)N[C@@H](CNc1c(O)c(=O)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDZCTJNMVDUEZ-MUGJNUQGSA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1cc(I)cc(C(=O)NCCCC[C@H](NC(=O)N[C@@H](CNc2c(O)c(=O)c2=O)C(=O)O)C(=O)O)c1)C(=O)O)N[C@@H](CNc1c(O)c(=O)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOHDXHLDDURKI-KBPBESRZSA-N", "SMILES:O=C(O)CC(=O)NC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVSWNIYGIAPJML-CMOCDZPBSA-N", "SMILES:O=C(O)CC(=O)NC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1cc(I)cc(C(=O)NCCCC[C@H](NC(=O)N[C@@H](CNC(=O)CC(=O)O)C(=O)O)C(=O)O)c1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATHCEVCVYOXBI-STQMWFEESA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(=O)O)N[C@@H](CNc1c(O)c(=O)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INQZQBPGEXTKQV-MUGJNUQGSA-N", "SMILES:O=C(N[C@@H](CCCCNC(=O)c1cc(F)cc(C(=O)NCCCC[C@H](NC(=O)N[C@@H](CNc2c(O)c(=O)c2=O)C(=O)O)C(=O)O)c1)C(=O)O)N[C@@H](CNc1c(O)c(=O)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKPDBNICYOMKP-JWZHHCSBSA-N", "SMILES:CC1(C)C(/C=C2/C(=O)C(/C=C3\\N(CCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CNC4=C(O)C(O)C4=O)C(=O)O)C(=O)O)c4ccccc4C3(C)C)=C2[O-])=[N+](CCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CNc2c(O)c(=O)c2=O)C(=O)O)C(=O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDDQFSVBRXCVJC-ORYMTKCHSA-N", "SMILES:CN(CCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CNc1c(O)c(=O)c1=O)C(=O)O)C(=O)O)c1ccc(-c2c3c(c(-c4ccc(N(C)CCC(=O)NCCC[C@H](NC(=O)N[C@@H](CNc5c(O)c(=O)c5=O)C(=O)O)C(=O)O)cc4)c4nsnc24)N=S=N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYVCKRQIPKGLQ-UHFFFAOYSA-N", "SMILES:CC1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccnc4)c(=O)n1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENOUMGWJKKCGA-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)C1=Cc2ccc(-c3cccc(C(=O)CC)c3)cc2N=C(N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYGXGOQQIREFSM-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)N3CC4(C3)CN(c3ccc(C)cc3)C4)cc2N=C(N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZCFUASWGCANES-UHFFFAOYSA-N", "SMILES:CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2N=C(N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGNXMXDDPAAWFU-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUVQRFMAMBUDN-UHFFFAOYSA-N", "SMILES:CCCCn1cc2c(n1)c(N)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBDMXYZNLJUFT-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSOCFWZZLCJDE-KRWDZBQOSA-N", "SMILES:CCCC[C@@H](CCO)Nc1nc(N)nc(CCC(=O)O)c1Cc1cc(Cc2nn[nH]n2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISXRTUOVPJSVPJ-WJOKGBTCSA-N", "SMILES:CCCN(C)C(=O)n1c(=O)n(Cc2ccc(Cl)cc2)c2nc([S@](=N)(=O)CC)nc(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTHROXJUYVNHHL-XMMPIXPASA-N", "SMILES:CC[S@@](=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDPWNWLAYZPKA-OAHLLOKOSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cc2c(s1)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAASQMCXDRISAV-CYBMUJFWSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)O)c1sc2cc(F)ccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHTNFHWDTHQECR-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(COc2cc3c(cc2OCc2ccc([N+](=O)[O-])cc2)OC2(C=C3)CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312784", "category": ["biolink:ChemicalEntity"], "name": "VIZANTIN", "xref": ["InChIKey:UQMXIEVSCRFPEI-PKTVYVHXSA-N", "SMILES:CCCCCCCCCC(CCCCCCCCC)CC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CC(CCCCCCCCC)CCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHWQUMDGURJNJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)sc1c(Sc3nnc(-c4ccncc4)o3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULUACALCXXUZTD-UHFFFAOYSA-N", "SMILES:c1cnc2sc3c(Sc4nnc(-c5ccncc5)o4)ncnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPOACPZKLPTME-UHFFFAOYSA-N", "SMILES:c1ccc(-n2c(Sc3ncnc4c3sc3ncccc34)nnc2-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXFVJOOTCKPKKS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3cnc(OCc4ccccc4)c(C)c3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHDBIHXRAZQSIF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3ccc(OCCCCO)c(C)c3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXAMTUJCKJXCI-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCKNPPKQKUJQL-UHFFFAOYSA-N", "SMILES:c1cc2c(NC3CCCCC3)c(-c3cn[nH]c3)cnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNEOQIBBBWKTRT-UHFFFAOYSA-N", "SMILES:c1cc2c(NC3CCC3)c(-c3cn[nH]c3)cnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZPWRQGUZSMYLV-UHFFFAOYSA-N", "SMILES:c1cc2c(NC3CCCC3)c(-c3cn[nH]c3)cnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQNJGVYNNFSEAF-UHFFFAOYSA-N", "SMILES:c1cc2c(NC3CCCCCC3)c(-c3cn[nH]c3)cnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNVQRLQIUHOOP-HMFBMNDHSA-N", "SMILES:O[C@]12C[C@H]3C[C@H](C[C@H](C1)[C@@H]3Nc1c(-c3cn[nH]c3)cnc3[nH]ccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPQUEOSLMVEIG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC(C)(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQORZCFYUPQZLU-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYRUNFXGMRKVSN-UHFFFAOYSA-N", "SMILES:CCN1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNBQSZYMOMTGH-UHFFFAOYSA-N", "SMILES:CCCN1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQEZTKKWEGOJAF-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFZIDOOTOOOOGR-UHFFFAOYSA-N", "SMILES:N#CCN1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPVMQCFILJXYHY-UHFFFAOYSA-N", "SMILES:N#CCCN1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPVDBWPZAWUNT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQMZNGWFQTJAP-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWAWQDDCHUKHDE-UHFFFAOYSA-N", "SMILES:CCCC(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFXJOTMNULIWLB-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHVWSLEQUWTGA-UHFFFAOYSA-N", "SMILES:CC(C)CCC(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCEQRMLWFYIMOS-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVVITXKEBKLWSN-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDXMKYBVVPOEE-UHFFFAOYSA-N", "SMILES:N#CCC(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCUIKIUQGMTBIM-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGQOFDZINNSON-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSWCLHIHRCNTES-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZDNKVGUXPTXBJ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNPWXUTRRXYNL-UHFFFAOYSA-N", "SMILES:O=S(=O)(C1CC1)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGAJRBPJZQCPJB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNVQRLQIUHOOP-OUQJNZHLSA-N", "SMILES:O[C@]12C[C@@H]3C[C@H](C1)[C@@H](Nc1c(-c4cn[nH]c4)cnc4[nH]ccc14)[C@@H](C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNVQRLQIUHOOP-FZRRDAJLSA-N", "SMILES:O[C@]12C[C@@H]3C[C@H](C1)[C@H](Nc1c(-c4cn[nH]c4)cnc4[nH]ccc14)[C@@H](C3)C2"]}
{"name": "Ragulator complex protein LAMTOR3", "xref": ["CHEMBL.TARGET:CHEMBL5465366"], "id": "UniProtKB:Q9UHA4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DREIJXJRTLTGJC-JQCLMNFQSA-N", "SMILES:NC(=O)c1cnc2[nH]ccc2c1NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5432066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZFZJRLJRGARHR-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)N1CCN(Cc3ccccc3)CC1)CCCC2)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXHQOFUVNDONAC-UHFFFAOYSA-N", "SMILES:CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMWUMOJWRGHUJU-UHFFFAOYSA-N", "SMILES:CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC2CCS(=O)(=O)C2)CCC(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFSKADJAKQTSA-UHFFFAOYSA-N", "SMILES:CCC1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)Nc2ccccc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOTBSNINUNKPKT-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCC(C(C)(C)C)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQUCCGWWXMXEP-UHFFFAOYSA-N", "SMILES:CC1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCN(C)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZMXQBXIQZNMM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGIEEJYSBFADC-UHFFFAOYSA-N", "SMILES:Cc1ccnc(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQDAOLBVZDEBK-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOHCSNDGRJYTBQ-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVISZRYMJQIEJP-UHFFFAOYSA-N", "SMILES:CC1CCN(CC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZGWMMQMXZKSRU-UHFFFAOYSA-N", "SMILES:CC1CCCN1C(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTBZMHJFHFNAH-HUUCEWRRSA-N", "SMILES:C[C@@H]1CCN(C(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMLSVCZRWKOLHZ-SHTZXODSSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)N[C@H]1CC[C@H](O)CC1)CCCC2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRCJYNNRZAUJT-UHFFFAOYSA-N", "SMILES:CCC1CCN(C(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTOXUVLINADAG-UHFFFAOYSA-N", "SMILES:Cn1ccnc1SCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXYXEIZRAWOMB-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)N1CCC(CO)C1)CCCC2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMZDIORZHJGKJH-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(sc(NC(=O)c3cnccn3)c2C(=O)N2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTRQFFTLCINRB-UHFFFAOYSA-N", "SMILES:Cn1cnc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKWBJZZQZKHHKV-NSHDSACASA-N", "SMILES:C[C@@H](C#N)NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZYHJGAMSZDMW-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)NCC1CCNCC1)CCCC2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXSRMJQXOZPUCP-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWDPYPWQYZBBN-UHFFFAOYSA-N", "SMILES:Cc1cnc(S(C)(=O)=O)nc1C(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYZFZMOXZBPBV-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNc2ccc(=O)n(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDABMIXAMXJRA-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNc2cc(-c3ccccc3)c(=O)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZOFTINWBPTHFB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNc2ccnn(-c3ccccc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNAWHGNPQAJEZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nccc(-c3ccccc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMJLRSRWJYESIB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBCILLRYTNWRME-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccc3F)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXYOZIVCLCUNA-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3cccc(F)c3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AICULAZKVUQWMN-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUADSRFFMYFCL-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccc3Cl)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRSQTAOULPTOLO-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDRKXRPTTXEJF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKKBYLCTBCMNCU-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccc3C(F)(F)F)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFAACXBCHKCGE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3cccc(C(F)(F)F)c3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCHTMCQRFWKDY-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccc(C(F)(F)F)cc3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJNSUGFKQBLHA-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3cccc(OC(F)(F)F)c3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLEHYKBGICBNST-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNIILDXWEAAYTM-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUQPMQRNKIUTR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRWJRCFBBCWRD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGKFPAAQHSOBY-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3cccnc3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKXYFGUIZANCOI-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccncc3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUYYQQEDTXRHD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCUBCNUVUMVMKO-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccccc1-c1ccc(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEWXAGAFIKCFCJ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cccc(-c2ccc(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEDORAKXXAZOPO-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2ccc(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPQUFNCBJPEGP-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(-c2ccc(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWSSGAIBAOWFS-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccc(CN4CCCC4)cc3)ccc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGEQYYHQBHIVKV-UHFFFAOYSA-N", "SMILES:CC(c1ccc(C(=O)Nc2ccccc2N)cc1)n1nc(-c2ccc(CN(C)C)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGEQYYHQBHIVKV-IBGZPJMESA-N", "SMILES:C[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)n1nc(-c2ccc(CN(C)C)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGEQYYHQBHIVKV-LJQANCHMSA-N", "SMILES:C[C@H](c1ccc(C(=O)Nc2ccccc2N)cc1)n1nc(-c2ccc(CN(C)C)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYXJJUVABRQDQS-UHFFFAOYSA-N", "SMILES:CC(c1ccc(C(=O)Nc2ccc(F)cc2N)cc1)n1nc(-c2ccc(CN(C)C)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYXJJUVABRQDQS-SFHVURJKSA-N", "SMILES:C[C@@H](c1ccc(C(=O)Nc2ccc(F)cc2N)cc1)n1nc(-c2ccc(CN(C)C)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRMCFABALKPCP-UHFFFAOYSA-N", "SMILES:CCC(c1ccc(C(=O)Nc2ccc(F)cc2N)cc1)n1nc(-c2ccc(CN(C)C)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYXLLCFUITPEQ-SFHVURJKSA-N", "SMILES:C[C@@H](c1ccc(C(=O)Nc2cccc(F)c2N)cc1)n1nc(-c2ccc(CN(C)C)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODAHKZVTGCELCP-SFHVURJKSA-N", "SMILES:C[C@@H](c1ccc(C(=O)Nc2cc(F)ccc2N)cc1)n1nc(-c2ccc(CN(C)C)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHAABZXWCNJZLF-SFHVURJKSA-N", "SMILES:C[C@@H](c1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1)n1nc(-c2ccc(CN(C)C)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWTTWWPMYFTUGA-IBGZPJMESA-N", "SMILES:COc1ccc(NC(=O)c2ccc([C@H](C)n3nc(-c4ccc(CN(C)C)cc4)ccc3=O)cc2)c(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIANRWPSSUMUQR-IBGZPJMESA-N", "SMILES:COc1ccc(N)c(NC(=O)c2ccc([C@H](C)n3nc(-c4ccc(CN(C)C)cc4)ccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZMKGOVUMGDTE-FQEVSTJZSA-N", "SMILES:Cc1ccc(N)c(NC(=O)c2ccc([C@H](C)n3nc(-c4ccc(CN(C)C)cc4)ccc3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKXWEXKHTOJSPU-KRWDZBQOSA-N", "SMILES:C[C@@H](c1ccc(C(=O)Nc2cc(F)c(F)cc2N)cc1)n1nc(-c2ccc(CN(C)C)cc2)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPIXXKIQZBMIX-ZTMPDPETSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\\c2ccc(OCCOCCOCCOCCNC(=O)CCC(=O)N(C)[C@H]3CC[C@@H](c4ccc(Cl)c(Cl)c4)c4ccccc43)c(O)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKVEGSQVRWLEQ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(O)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMEPCGHGLWNLNM-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]c(-c3cccc(O)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWMNAUZBDLJAC-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccccc1)N(C)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXUSCHVJJBSONI-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBRRMNXXVZGCB-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(O)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKPWLCHWJCSLF-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4cccnc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTMMWXYUKMGGU-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(C(=O)O)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXLCBPHQQFFNS-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(CCC(=O)O)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSRSUPHEANJKD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YERPHLXVKKTPGK-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWFAPYYHZIFRD-UHFFFAOYSA-N", "SMILES:COCCOCCOCCOc1ccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMFIFFTYNSAALU-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]c(-c3cccc(OCC4OCCO4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRLYHBJBBNYCF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHOQUFGTKOHQBB-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(CO)c(F)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSDNFDJBVZWQV-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(F)c(CO)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMVVFFRNSLEMO-UHFFFAOYSA-N", "SMILES:CN(C)CCNCc1ccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEUZCCQUNTMLI-UHFFFAOYSA-N", "SMILES:CN(C)CCNCc1cc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFWCPZFEIDRAM-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2cc3c(NCc4ccccc4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INURPMRKCUUSHP-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKSDIRXTBUSDSI-QGZVFWFLSA-N", "SMILES:C[C@H](c1ccc(C(C)(C)C)cc1)N(C)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGFOIYRQIGWMST-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncnc2[nH]c(-c3ccc(CO)cc3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBFMJDTLAIVSN-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])N(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNNKGNQGPFRTQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN(C)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFCHPRFMFYYAG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSGXWUVUDCSFIZ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccn1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCPSFUHQTMUBJV-UHFFFAOYSA-N", "SMILES:CN(Cc1cccnc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOTRVAMMDDKVHE-UHFFFAOYSA-N", "SMILES:CN(Cc1ccncc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOHPNZFTBWWWBX-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIQFBHIJWBNDKU-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1F)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSCRMHSJRARCO-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1O)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBROKXGEWKVMU-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPKVTDLMFZLJIM-HXUWFJFHSA-N", "SMILES:CN(c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12)[C@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPKVTDLMFZLJIM-FQEVSTJZSA-N", "SMILES:CN(c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12)[C@@H](CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTBZOLAEWCHRQ-UHFFFAOYSA-N", "SMILES:CC(C)N(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVMIQFWUBLELJ-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc2ccccc12)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTIDNHAPXRJLIE-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccccc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYAPNYOZBFUUIA-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPBMAICPMXCIKN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(N(C)Cc4cccc(C)c4)ncnc3[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDUIQNARVJYUGR-UHFFFAOYSA-N", "SMILES:COCCOCCOCCOc1ccc(-c2cc3c(N(C)Cc4cccc(C)c4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTAKSHGRTOYJCG-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(C(F)(F)F)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMOJVCOEERFCML-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cc3c(N(C)Cc4cccc(C)c4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWOFWZSIWGGHQ-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCc1ccc(-c2cc3c(N(C)Cc4cccc(C)c4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSLZIYAZZZWPK-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCCC(=O)c1ccc(-c2cc3c(N(C)Cc4cccc(C)c4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQCCGACEMGECKV-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(C(=O)O)c(F)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKPFQGWKKRGJI-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(CCCCC(=O)O)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAENLCOORYABGD-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(C(F)F)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJOCLQAHHIZPS-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(S(N)(=O)=O)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNXZAQUXAXYLAN-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cc3c(N(C)Cc4cccc(C)c4)ncnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGRZTQUEBSXDJP-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(-c4cccc(C(=O)O)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWCNNWPTHCJOSC-WLNDDOFLSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYQHFVJHFFDEF-LWLYXFKBSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOGXIWZXLNEVSC-SIJBMGAASA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKIAWLMZVROEJ-NCBKPXAVSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDTAXGCDPPNLRM-AEKRRFLYSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLUNQZEUDXBQE-UHFFFAOYSA-N", "SMILES:CC1=C(c2cccnc2)Cc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCBZARSYIFQZOX-UHFFFAOYSA-N", "SMILES:O=C1c2cc(Cl)ccc2CCC1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLIKHWBADHUKM-GHVJWSGMSA-N", "SMILES:Oc1c(F)c(F)c(F)c(F)c1/N=N/c1c(F)c(F)c(F)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL319026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYHFPSGWNXSFBI-UHFFFAOYSA-N", "SMILES:CC1C(OC(=O)Cc2ccncc2)CC2CC1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCAOECOTTLTKLR-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESWMMSOVUUTDH-UHFFFAOYSA-N", "SMILES:CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMWXMHSOSJKTO-UHFFFAOYSA-N", "SMILES:Brc1ccc(CCCCCn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANOHCSMABLLDL-MDZDMXLPSA-N", "SMILES:C(=C/c1cccc(-n2ccnc2)c1)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIPXESVZMGSMLC-KTKRTIGZSA-N", "SMILES:C(=C\\c1cccc(Cn2ccnc2)c1)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RESNCEAATMWALJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(-c3cccnc3)n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQFWZTSGYVSXKT-UHFFFAOYSA-N", "SMILES:CCCn1nnc2cc(-c3cc(-c4ccncc4)c(C#N)c(N)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQVQZUXEFBSKW-UHFFFAOYSA-N", "SMILES:c1cncc(Nc2ccc(-n3cnc4ccccc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXSFFNFFGUAIY-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C(c1cc2cc(Br)ccc2o1)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZJSCEXYIOSTHP-UHFFFAOYSA-N", "SMILES:Brc1cc(Br)c2oc(Cn3ccnc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPZGRYCHTVNORO-GFAPAMAISA-N", "SMILES:Cc1c(/C=C/[C@H](C)c2c[nH]cn2)sc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL78322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSWPWGQUEZXZFV-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2c(Br)ccc(Cn3ccnc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLYMRVCQTVOYEW-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(Cn3ccnc3)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL445171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPMQRSIZLKLPLH-UHFFFAOYSA-N", "SMILES:CC(c1ccc(-c2ccc(F)cc2)cc1)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDHNSZMLXTYEFM-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCC(c1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDIPXUWEYWPCP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCC(Cc1c[nH]cn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSWIJYXLRDECA-NRFANRHFSA-N", "SMILES:COc1ccc(-c2ccc([C@](O)(c3c[nH]cn3)C(C)C)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL346119", "category": ["biolink:ChemicalEntity"], "name": "THEAFLAVIN", "xref": ["InChIKey:IPMYMEWFZKHGAX-ZKSIBHASSA-N", "SMILES:O=c1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4461515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVYQPSHHYIAUFO-VXKWHMMOSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCUJKWMVMFEDB-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(-c2cccnc2)s1)NCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVMEECPEQTYLE-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(-c2cccnc2)s1)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATUPGFNMYZLBO-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(I)s1)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYQEIGIHWROOE-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(I)s1)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNWCUALJXIMDJ-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(I)s1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWTYOUTSMECSM-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)CCCc2ccc(I)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGLOUFRSHWDNP-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(I)s1)NCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWQZPKYWDSUSTB-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(I)s1)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL89848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISHGIHUSXUJBAR-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCc2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNNOQFZPSDKNP-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCc2ccc(-c3ccccc3)s2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYPNGDQODKJKJO-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCc2ccc(-c3cccnc3)s2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCZROJPKZKELR-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCc2ccc(I)s2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCUVEUVIUAJXRB-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)CCCc2cccs2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXSRCZCQWGUWFM-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(-c2cccnc2)s1)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTAPVURCBKGITK-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(-c2ccccc2)s1)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFFPWUYIRIGVMV-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(-c2ccccc2)s1)NCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTAUAHWIKSIBSS-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(-c2ccccc2)s1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWHLKSVVJATPU-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(-c2ccccc2)s1)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEOEOYDOUEBOD-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITDVEUYCYGJTJM-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)NCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQMUQUVSNFBIJ-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXAVAHXJLMSIGP-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLZZRRWTWGHMR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)CCCc2ccc(-c3cccnc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGDYTCIJBXSVPQ-XLYAUNJQSA-N", "SMILES:C[C@H]1CN(C(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZJCAGSJIMIXFS-HJYWNDIWSA-N", "SMILES:C[C@H]1CN(C(=O)c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYZMVIWTOQSXRR-YLKGYVPLSA-N", "SMILES:C[C@H]1CN(C(=O)CCCCCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFXVKUYZHYIDS-UAJNXHJVSA-N", "SMILES:C[C@H]1CN(C(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1"]}
{"name": "Zinc finger protein 280D", "xref": ["CHEMBL.TARGET:CHEMBL5465321"], "id": "UniProtKB:Q6N043", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUIUIHLPMZTRR-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTBZTBBKHCTGP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRRUUMMLEYJSCB-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)Nc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATNINSVTLMPKQL-SOFGYWHQSA-N", "SMILES:C/C=C/C(=O)Nc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFOAWFNJNUSEL-CMDGGOBGSA-N", "SMILES:CCN(c1cc(NC(=O)/C=C/CN(C)C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITSHWYHCQPJBU-VOTSOKGWSA-N", "SMILES:CCN(c1cc(NC(=O)/C=C/CN2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASGXYUDBIGGQRE-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFOSCGKTCYDCX-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNGVPEQCZSJUDN-UHFFFAOYSA-N", "SMILES:CCC(=O)N(C)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSVDCQAJSLNIJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYULZQTLZQQKA-UHFFFAOYSA-N", "SMILES:CCC(=O)NCc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGQXZHCWHUSJLB-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEGTPPZGKHKDX-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1cc(C(=O)NCc2c(CCC)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIBOXTKJWZZDDW-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTNIXLWUNWRPS-UHFFFAOYSA-N", "SMILES:CCC(=O)NCc1cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKTRXKQBQKZJJS-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2069623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUMDBEHGJRZSOO-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVSNVLKUNCNJEG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccnc(C3COCCN3)c2)c(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOBVNQMSKGMNLX-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)c1coc(NC(=O)c2ccccc2OC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXHEBGVSHEZRM-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3cccc4ccccc34)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPHVIBXJOSQHB-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccc4ccccc4c3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNHPSFRDBKPHQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDMNGVBZXESKG-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQMPWMSLSRZEJY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRXNZWDKWKVKCM-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccc4c(c3)OCCO4)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIRHHMBHEAYHAR-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccc4ncsc4c3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSAYCZYXKSJPA-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3cnc4ccccc4c3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHBHDXBAMEOLG-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3cc4ccccc4cn3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDFTLJHVGWJSB-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3cc4ccccc4s3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJTVTLRAYTVQES-UHFFFAOYSA-N", "SMILES:Fc1cccc(Cn2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHDZMOPKGFPCAQ-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4Cc3cccc4ccccc34)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCCYZRZYNDFSMI-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4Cc3ccc4ccccc4c3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMANNKSMZSAGEQ-UHFFFAOYSA-N", "SMILES:Fc1cccc(CCn2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTAYJBLYOGTSL-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(CCn2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRENEVVVDXRCMG-UHFFFAOYSA-N", "SMILES:COc1cccc(CCn2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFKJAKHCJYMOBZ-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4CCc3cccc(Br)c3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHDUWNXYIKSCTM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCn2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUNJSUHMSKMNBF-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4CCc3ccc(C(F)(F)F)cc3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADDYWCURKVQJN-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4CCc3cccc(C(F)(F)F)c3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXFHPTCQLBSQEU-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4CCc3cccc(Cl)c3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDGNMZIFXEYTI-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCn2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTFIDNUEPWNHQF-UHFFFAOYSA-N", "SMILES:CSc1ccc(CCn2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBSJZFQWRKAXMC-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4CCc3ccoc3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJSRKAJMDISTQG-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4CCc3ccsc3)nc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANJHSJVUHMQAF-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCn2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKWLNXUIWPRODH-UHFFFAOYSA-N", "SMILES:O=C(CCl)NC1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JESMRTLXPOBHHP-UHFFFAOYSA-N", "SMILES:OC(CN1CCN(CCCn2ccc3cc(Br)ccc32)CC1)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJDYOVQYFIADA-VWLOTQADSA-N", "SMILES:O[C@@](CN1CCN(CCn2ccc3cc(Br)ccc32)CC1)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUEXWHUMUYQITQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(N4CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)ncn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUBRJMBSAUUROP-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCOc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(-c6ccccc6)c5)c4F)nn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVPMDAMCUGYJV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2n[nH]c3ncc(-c4cn(-c5c(F)ccc(NS(=O)(=O)c6cccc(-c7ccccc7)c6)c5F)nn4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIYSFJLISVEARE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(NC(=O)CCCCCCOc2n[nH]c3ncc(-c4cn(-c5c(F)ccc(NS(=O)(=O)c6cccc(-c7ccccc7)c6)c5F)nn4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRUGRONJSXUQA-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCCCCN1CCC(COc2n[nH]c3ncc(-c4cn(-c5c(F)ccc(NS(=O)(=O)c6cccc(-c7ccccc7)c6)c5F)nn4)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVPMDAMCUGYJV-HSZRJFAPSA-N", "SMILES:C=CC(=O)N1CC[C@@H](Oc2n[nH]c3ncc(-c4cn(-c5c(F)ccc(NS(=O)(=O)c6cccc(-c7ccccc7)c6)c5F)nn4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVPMDAMCUGYJV-QHCPKHFHSA-N", "SMILES:C=CC(=O)N1CC[C@H](Oc2n[nH]c3ncc(-c4cn(-c5c(F)ccc(NS(=O)(=O)c6cccc(-c7ccccc7)c6)c5F)nn4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPILDDFMLSKYDE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2n[nH]c3ncc(-c4cn(-c5c(F)ccc(NS(=O)(=O)c6ccccc6)c5F)nn4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOJDKYWISRHQEN-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncn(C4CCCCC4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXNZJDSJDHKBM-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncn(-c4ccccc4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWDETFWROQAOU-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccccc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVPYFNMXXEKMQ-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)C(=O)Nc1ccc(-c2ccc3ncn(-c4ccccc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKCZGPHCOPAPO-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccccc4F)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYXODXWVRDPTB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cnc2ccc(-c3ccc(NC(=O)NCCN(C)C)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGOVFZBXGOPREQ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(N)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOUIQGZWLVFNA-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSIYIEYJQDOAED-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(F)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFMCGXZKWBNJJ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(N)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RARRLXUOSQAQTO-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATLKOJNAMYASM-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILUGWZCHRXVTSV-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(Br)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRPVRSCMFZFKDJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPKREFFHDSRPR-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTVIPOGMOSPZNN-UHFFFAOYSA-N", "SMILES:CCC(C)C(=O)Nc1ccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKQJWLVESRIOGN-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(NS(C)(=O)=O)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACFZFDLAOMCLDU-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(NS(=O)(=O)C5CC5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNRABTGNBCAJRQ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(N5CCCCC5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUQVTBYFUQSER-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(N5CCOCC5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLGNZQFGRQDWSZ-UIOOFZCWSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(N5C[C@@H]6C[C@H]5CO6)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUDAQSRFCKWPFS-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(C5CCCCC5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDAOFVZZPUSCSW-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(C5=CCCCC5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBWVRZSHSYMYJZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5ccccc5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUTWCNKMAVFRGI-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5ccco5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHDEGOCIFEOSG-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5cccs5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAYQTBLUTNROTM-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-n5ccnc5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRSWZWZJTJWLBM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNSNBFPQXAHOGN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXRXJLRNAPKXNK-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(NS(C)(=O)=O)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPLUDHDOHLNKMR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZGNCINQNOVNJ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(NS(=O)(=O)C5CC5)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGWYHBRFPFROLS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZKQAKIHWOGODV-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(NC(=O)OC(C)(C)C)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASFWLFVXAMVKI-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5ccccc5F)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOANPHQBYXNBQG-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5cccc(F)c5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYDREVZAOVARZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5ccc(F)cc5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRUCIIBQOMHUNP-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBYVXSBBOTZHOG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(-n3cnc4ccc(-c5ccc(NC(=O)NCCN(C)C)cc5)cc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJAIWGYVIEVPV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(-n3cnc4ccc(-c5ccc(NC(=O)NCCN(C)C)cc5)cc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGCUYGSKBHTSH-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5cccc([N+](=O)[O-])c5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSIGDZTAOBSNC-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5ccc(F)c(F)c5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTPCAGDWDTWQMO-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5ccc(F)cc5F)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHLEIICWYTNAI-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5cc(F)cc(F)c5)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQLKJAQWSARSA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccc(-n3cnc4ccc(-c5ccc(NC(=O)NCCN(C)C)cc5)cc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVRAIAAWMIFLAL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(-n3cnc4ccc(-c5ccc(NC(=O)NCCN(C)C)cc5)cc43)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBTMGNXHRQSNDS-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncn(-c4ccc(-c5ccccc5)cc4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSMWVUIVLLLPJ-UHFFFAOYSA-N", "SMILES:CN1CCC(COc2ccc(-c3ccc4ncn(-c5ccc(-c6ccccc6)cc5)c4c3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPRXUQSSWPYEM-UHFFFAOYSA-N", "SMILES:CN1CCCC1COc1ccc(-c2ccc3ncn(-c4ccc(-c5ccccc5)cc4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWXCHDWYIWXAE-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncn(-c4ccc(Cl)cc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSLPBURLNPCIJV-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncn(-c4ccc(-c5ccccc5)cc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMTHPIVMJAHXIY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(-n3cnc4ccc(-c5ccc(OCCCN(C)C)nc5)nc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCCWTUSGCOMIS-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(Cl)cc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCXHTVRECLJTA-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5ccccc5)cc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCLBTCMJJSRSOL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(-n3cnc4ccc(-c5ccc(NC(=O)NCCN(C)C)cc5)nc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTXGZOOISIGJD-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(NS(C)(=O)=O)c4)c3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNABYBXABVGKSS-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(NS(C)(=O)=O)c4)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHDSOXVAVSOIE-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Cc1ccc(-c2ccc3ncn(-c4cccc(NS(C)(=O)=O)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMSQCJHKQRQVPR-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)N1CCc2cc(-c3ccc4ncn(-c5cccc(NS(C)(=O)=O)c5)c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZOVBRZOLREDTR-UHFFFAOYSA-N", "SMILES:CN(C)CCOC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(NS(C)(=O)=O)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWMVJAWMDKKADD-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Nc2ccc(-c3ccc4ncn(-c5cccc(NS(C)(=O)=O)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBPJXXWJHSXLB-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)Nc2ccc(-c3ccc4ncn(-c5cccc(NS(C)(=O)=O)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXVXGYWQXWTNP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCN(C(=O)Nc2ccc(-c3ccc4ncn(-c5cccc(NS(C)(=O)=O)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDDNYGCHXCTVCN-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)CC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(NS(C)(=O)=O)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMVKCDKGMEKJE-UHFFFAOYSA-N", "SMILES:CN(C)C1CN(CC(=O)Nc2ccc(-c3ccc4ncn(-c5cccc(NS(C)(=O)=O)c5)c4c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYZNSODASREHT-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)Nc2ccc(-c3ccc4ncn(-c5cccc(NS(C)(=O)=O)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLBJYGMASAPNKQ-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)Nc2ccc(-c3ccc4ncn(-c5cccc(NS(C)(=O)=O)c5)c4c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQRBCIIPSPSSR-UHFFFAOYSA-N", "SMILES:CN1CCCC(NC(=O)Nc2ccc(-c3ccc4ncn(-c5cccc(NS(C)(=O)=O)c5)c4c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXILVTZXEOBHEY-UHFFFAOYSA-N", "SMILES:CC(CN(C)C)NC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(NS(C)(=O)=O)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XADYARKXXPFKHJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN5CC(F)C5)cc4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCSFOSMJSUMXSP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-n2cnc3ccc(-c4ccc(NC(=O)NCCN5CC(F)(F)C5)cc4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDPVQHKALAFQRB-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3ccc(NC(=O)NCCN(C)C)cc3)cc2n1-c1cccc(NS(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMZADADWXYBMMD-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cccc(-n2c(C)nc3ccc(-c4ccc(NC(=O)NCCN(C)C)cc4)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTREBAWHSFAIF-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3ccc(NC(=O)NCCN(C)C)cc3)cc2n1-c1cccc(NS(=O)(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPTGTEHIJXEKFE-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IISVGNYZRDLTIV-UHFFFAOYSA-N", "SMILES:CN(C)C1CN(CC(=O)Nc2ccc(-c3ccc4ncn(-c5cccc(NS(C)(=O)=O)c5)c4n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUOZHTCCWOQBDU-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4cccc(N(C)S(C)(=O)=O)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWMTXDVKVLHBAV-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc5c(c4)N(S(C)(=O)=O)CC5)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLWQOSNHIXGMPX-UHFFFAOYSA-N", "SMILES:CN(C)C1CN(CC(=O)Nc2ccc(-c3ccc4ncn(-c5ccc6c(c5)N(S(C)(=O)=O)CC6)c4c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBKNCGADRVFFD-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncn(-c4ccc5c(c4)N(S(C)(=O)=O)CC5)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIILMZBVPVTCLD-UHFFFAOYSA-N", "SMILES:CN1CCC(COc2ccc(-c3ccc4ncn(-c5ccc6c(c5)N(S(C)(=O)=O)CC6)c4c3)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQIQKBSKGLRNW-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncn(-c4ccc5c(c4)N(S(C)(=O)=O)CC5)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKQQTHPCCDVKRV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCc2ccc(-n3cnc4ccc(-c5ccc(OCCCN(C)C)nc5)nc43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSBVAOCTAUZSGY-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncn(-c4ccc5c(c4)N(S(=O)(=O)C4CC4)CC5)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXFMFZSPQUTDW-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncn(-c4ccc5c(c4)N(S(C)(=O)=O)CCC5)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GASIKXRQOWPSGS-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc5c(c4)N(S(C)(=O)=O)CCC5)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YALRFWAHJUJPAN-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncn(-c4ccc5c(c4)CN(S(C)(=O)=O)CC5)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRLYCINVSGODRI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCc2ccc(-n3cnc4ccc(-c5ccc(OCCCO)nc5)nc43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPOXVVDTJYHAF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCc2ccc(-n3cnc4ccc(-c5ccc(OCCCN)nc5)nc43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSBXSSFJPOMOU-UHFFFAOYSA-N", "SMILES:CNCCCOc1ccc(-c2ccc3ncn(-c4ccc5c(c4)N(S(C)(=O)=O)CC5)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFVDSUQXTZIKT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCc2ccc(-n3cnc4ccc(-c5ccc(OCCCN6CCCC6)nc5)nc43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZPLOBDBEIHJKW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCc2ccc(-n3cnc4ccc(-c5ccc(OCCCN6CCCCC6)nc5)nc43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVULUFSGAFOSEM-UHFFFAOYSA-N", "SMILES:CNCCCOc1ccc(-c2ccc3ncn(-c4ccc5c(c4)N(S(C)(=O)=O)CCC5)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLQAFAEKNCHGS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(-n3cnc4ccc(-c5ccc(OCCCN6CCCC6)nc5)nc43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHLIMRQCQJOHM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(-n3cnc4ccc(-c5ccc(OCCCN6CCCCC6)nc5)nc43)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514499", "category": ["biolink:ChemicalEntity"], "name": "GW843682X", "xref": ["InChIKey:JSKUWFIZUALZLX-UHFFFAOYSA-N", "SMILES:COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJWYAGQKIQWREH-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncn(-c4ccc(-c5ccccc5)c(NS(C)(=O)=O)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKQSZEDNOUGZSL-BDCZXCATSA-N", "SMILES:COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZVXUVSGDAOXRG-YMLRRHDESA-N", "SMILES:COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRMSBQHICMFIV-GOSISDBHSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN[C@H](C)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPGWHOCRYTVLL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Br)ccn1)Nc1cccc2c1C1CCCCN1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZMXYSZZSYDGV-IYBDPMFKSA-N", "SMILES:COc1ccc(CC(=O)Cc2ccn([C@H]3C[C@@H](C(N)=O)C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLOLCEAPHPNYGP-UHFFFAOYSA-N", "SMILES:NC(=O)CN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFGJTSFYNRDGDH-UHFFFAOYSA-N", "SMILES:CN1C(=O)COc2ccc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIZBSDHUQSOUIY-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWNCIRXJHVNBHR-UHFFFAOYSA-N", "SMILES:O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1cccnc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLXAGAKGJMXVQF-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)cc(O)c2c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5419652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWFPXXGZGCHFQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRPJAFVWXJRAV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)CCCOC(C)C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPWPFXUIMVYLLR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNOBTZZRTZSQTJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(Cl)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKEPHTDOSDZCGK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRZCIXFWQLGAKM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWPHVZDFQYVMW-UHFFFAOYSA-N", "SMILES:Nc1nccc(C(=O)Nc2cnccc2N2CCC(F)(F)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCTOCSMGNIHFPY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJULXPIBCHMDX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFZJQKHNKKPZAH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTABJNPXSUGRKA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJOZDXRTJEZTG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncnc1OCC(F)(F)F)c1ccnc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUACCMSCPINIY-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUSEPBJMLQZJS-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGOONUOQGNIMGO-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHBKUCFDNISLNC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGILMHLEDGHMD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnc(Nc2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDTNZBKHOOMMNR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2c(F)cc(Cl)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNFHQSIJDCJQN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZNFQBNKITETG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJHNTUKGOQCWKH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3OCC(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTWJSUYVWGBQFX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(C(=O)Nc3cncnc3OCC(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYVOHPYWGZFHPE-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ccc1Nc1nccc(C(=O)Nc2cnccc2-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJWYYLEVMBAKU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRULSUCANQUTLR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWQKULXATKCNBV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnc(Nc2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLWTLFHWAMQQX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VREUVWWSISDHAV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBLGVBFQWBVFAW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUAAAOFBHQLFAD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(OC(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQOGJESGKNBNIP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnc(Nc2ccc(OC(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBFCSJJRVBMRM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFCIUXUUWFLDQF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUZYEUYSSRWDJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNEHMLOMNXWVTI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(Nc2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUYCCKOLIKFIG-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3cccc(C(F)(F)F)c3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIIFAYFKMQRXPQ-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQTFNQJWRWAZKZ-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(OC(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUSDBKUMIIORB-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1c(Br)cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc1Br)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWJBRLMVTRKDBJ-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1c(F)cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc1F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFHYDRBVXKYDN-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)C2(C)C)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOKFEINPLPVCJA-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(Cc3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJVYACFTTVAAPS-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CC(=O)N(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)C2=O)ccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYJVQDSKBHERNA-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(Br)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHNRYVXGNSPQH-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(-c4ccccc4)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJUAKDODHHCTO-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1c(Cl)cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDGSKQDTUILDW-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTMZUCPNAIHKP-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDLNVKUHZYMSDV-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)CN(Cc3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVYRATRIHSCQBP-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)c(Cl)c3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUFXDBYYTWXFI-UHFFFAOYSA-N", "SMILES:CSc1ccc(N2CC(=O)N(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKJDKBWMFFNLT-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(Cl)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRFZOEHKEBDYGE-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccccc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSWLRACRUHIAO-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(C#N)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTEQZDVLOXPREQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJYWZNAMLZTPTO-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OC(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLFOPQXYMACIFM-UHFFFAOYSA-N", "SMILES:Cc1cc(CCN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPYIWQHUXLVIY-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(C(C)(C)C)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAHNILHKBOLEAG-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CC(=O)N(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTQPWWZYYYRSY-UHFFFAOYSA-N", "SMILES:CCc1ccc(N2CC(=O)N(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOULTWATRYWKHA-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(C(C)C)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXBVSCMZTWNXET-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUCGEAQWFIADEL-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)ccc1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBPUGNYBQXJGY-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)N(c3ccc(C(F)(F)F)cc3)C(C)(C)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWFKJAKVCTNQZ-UHFFFAOYSA-N", "SMILES:Cc1cc(CCCN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXCRYRQIUVDKT-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)c(F)c3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBMMMUXNOKFUNX-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CC(=O)N(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOSOCDINGBZRO-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITYMIRGASNNRFK-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)CN(c3ccc(S(C)(=O)=O)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRNQGIMGJSDTMI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(OCc3ccccc3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKSJJKOSONHJU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)O)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZJOJFQJWHFYCY-UHFFFAOYSA-N", "SMILES:CNCCCCCn1cncc1-c1ncc(-c2ccc3ccccc3c2)n1CCCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYVKCKXGZHKWHI-UHFFFAOYSA-N", "SMILES:CNCCCCCn1c(-c2ncc(-c3ccc4ccccc4c3)n2CCCC(C)(C)C)cnc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWHTFCPFJQUCE-UHFFFAOYSA-N", "SMILES:CNCCCCCn1cncc1-c1ncc(-c2ccc3ccccc3c2)n1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTSSDXAZRZBLA-UHFFFAOYSA-N", "SMILES:CNCCCCCn1c(-c2ncc(-c3ccc4ccccc4c3)n2CC2CCCCC2)cnc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXPGFKIBOLVGG-HXGJMTJLSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(O)cccc21)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIBRKSRYSFJILK-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)c(C(F)(F)F)c1)N1CCN(c2ccc3nncn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCOMCENHGAVSHF-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccc3nncn3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYFKRANQUJUTKF-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc(-c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c1)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGOBPRQIYFVOD-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(CCCCCN)CC3)nc(NCCCN(C)C)nc2cc1OCCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCZNSDMIDMPFX-UHFFFAOYSA-N", "SMILES:CNc1nc2cc(OCCCN3CCCC3)c(OC)cc2n1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMNXPVWXUCMGL-UHFFFAOYSA-N", "SMILES:CCC(=O)NCc1nc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOILERNGFUUEDE-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1nc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXYQEQBXCSARZ-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)NCc1nc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZRZTSAPAYMVAA-XBXARRHUSA-N", "SMILES:C/C=C/C(=O)NCc1nc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMMXLOWDCVABNP-VQHVLOKHSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)/C=C/CN(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORQGFONUDAGHIU-UHFFFAOYSA-N", "SMILES:CC#CC(=O)NCc1nc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQYZALHSAJGJI-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)CCl)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFGUIIJERZULME-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)CC#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQNIOUGPMHNAFW-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)C3(C#N)CC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTLCUPULWMQMP-UHFFFAOYSA-N", "SMILES:CCC(=O)NCc1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABMUWUVXORMRPF-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJYUKWRZHJXLL-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)NCc1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCAIHGGEZGHSN-XBXARRHUSA-N", "SMILES:C/C=C/C(=O)NCc1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUIRMCMACGABG-UHFFFAOYSA-N", "SMILES:CC#CC(=O)NCc1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYCUTFZTQSNVBE-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)cc(CNC(=O)CCl)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTIGOLGIUVNUGZ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCDVBSKNGUGCK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVOHIGYTHDHLNO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)c1nc(NC2CCN(CCC)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXHYOMTISDBTP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)c1nc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAJMWNZSGWJTM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)c1nc(NC2CCN(C3CCCCC3)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJQTXMSEJMCLBR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)c1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMPNKFDIAZIUNV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)c1nc(NCC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULXFTGAEHNOYMW-KOJZRSEWSA-N", "SMILES:C=CC(C)(C)C(OC(=O)c1ccco1)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHHAAYSWQSXXNG-KOJZRSEWSA-N", "SMILES:C=CC(C)(C)C(OC(=O)C1CCCO1)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITMREVLPIJZJF-JQMRRPHZSA-N", "SMILES:C=CC(C)(C)C(OC(=O)c1ccccn1)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAAPKCIWCGKIRV-CTVDDJEBSA-N", "SMILES:C=CC(C)(C)C(OC(=O)c1cccnc1)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYHRCESPCJBZGM-DPCVLPDWSA-N", "SMILES:C=CC(C)(C)C(OC(=O)c1cccnc1Br)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVNEFBXJRMRSJ-ODBZBXGJSA-N", "SMILES:C=CC(C)(C)C(OC(=O)c1cncc(F)c1)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVUXSZRXGSADD-CTVDDJEBSA-N", "SMILES:C=CC(C)(C)C(OC(=O)c1ccncc1)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWRQFDSLNLCPIY-HEPXYTLMSA-N", "SMILES:C=CC(C)(C)C(OC(=O)c1ccccc1)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXWOVHHICRCGCL-UKOHILRMSA-N", "SMILES:C=CC(C)(C)C(OC(=O)c1ccc(C)cc1)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZIHWBRQZDHFZ-UKOHILRMSA-N", "SMILES:C=CC(C)(C)C(OC(=O)c1ccc(C=O)cc1)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJAMOGHEURDZGI-FEZYOMQXSA-N", "SMILES:C=CC(C)(C)C(OC(=O)CC(C)C)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMLTLSDKAEPHX-DFEHQXHXSA-N", "SMILES:C=CC(C)(C)C(OCCCCO)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYKAMHJEHHASG-MUPYBJATSA-N", "SMILES:C=CC(C)(C)C(OCCCCCO)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNHMNQDRBNSEV-MUPYBJATSA-N", "SMILES:COc1cc(C(CC=C(C)C)OC(=O)CC(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZRQKQMASLJKO-WZGDJCGDSA-N", "SMILES:COc1cc(C(CC=C(C)C)OCCC(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQOILUNQMZUJD-KVOOEGMKSA-N", "SMILES:COc1cc(C(O)CC=C(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJINBEQCDMOAHM-SFHVURJKSA-N", "SMILES:O[C@@](Cc1nc(CC2(C(F)(F)F)CC2)c[nH]1)(c1ccc(-n2cccn2)cc1)C(F)(F)F"]}
{"name": "Bombesin receptor subtype-3", "xref": ["CHEMBL.TARGET:CHEMBL1075140"], "id": "UniProtKB:O54798", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPCCNHJPAFYUMQ-JFMUQQRKSA-N", "SMILES:C=CC(C)(C)C(OC(C)=O)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXKBHYXVENSGOL-LUGYEFQQSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNHAQXAAGMVOV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NC6CCN(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMUULSLHVOHMZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRTUCEOYBLSCJP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQVZAQCNYUSBIJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHSJYMZWGTVLB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXPGRWCCCLWKQJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDFDLTKSQGRMMG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCWKRCQBMPDDA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMIYRHGPQNUTI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLFIMIUCZKHKSI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBYWTMBEFZPCDI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCCc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYMXYDSTYJHREL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCNc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETBTLFBEYTSGJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCNc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHEUEZODLRVMMV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCNc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWLIXJPPKOFQJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCNc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQZPPJBTNANHER-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)N6CCC(Nc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZBZGQUWLDZQN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)N6CCN(c7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEZOPTWSHMEHU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)N6CCC(C7CN(c8cccc9c8C(=O)N(C8CCC(=O)NC8=O)C9=O)C7)CC6)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSNPCRTAAEVPC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)N6CCC(C7CCN(c8cccc9c8C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLMAGEKQBJFDQU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)N6CCC7(CC6)CC(Nc6cccc8c6C(=O)N(C6CCC(=O)NC6=O)C8=O)C7)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLXCHFBGHUPHQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)N6CC7(CCC(Nc8cccc9c8C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)C6)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFFPFFAJDSUIN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)N6CC7(CC(Nc8cccc9c8C(=O)N(C8CCC(=O)NC8=O)C9=O)C7)C6)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXGLXSGGLHGPG-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)nc5)ncc34)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPBYISZQBYVMM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)COc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIZRLTAUDZWSKR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIADPPIBLJDDNQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDUCWHJWJPJLAD-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCCCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYBBLPTFRTEGE-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCCCCCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODRSZCYCOGEMCS-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCCCCCCCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUTYYRPGRYWTCR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCCCCCCCCCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVSZMUFGGSGRX-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCCCCCCCCCCCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWXRCYRZVOENFT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCCCCCCCCCCCCCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWBQRYKEFPINAH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXEJCVXFRXPLLP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJMKDJHGVHMBO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)COCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHXKQXWXBGSLGT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGECMHDJLICDLL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)COCCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWMMHTUCRBLFMA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CCOCCOCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWEWDRFFUVBLJZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(Cc3ccc(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSRWUTUNJWEIH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSACRBXPDUBLH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGTYDVBMQGWKV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVKGCUZJWJQBCU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(CC3CC4(C3)CN(c3ccc5c(c3)C(=O)N(C3CCC(=O)NC3=O)C5=O)C4)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGIORNAHJLAHL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)Cc3ccc(N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSIGWOZLYPDPMR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPZHESLXIDAPJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTSILYFXJJJAPZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOXTRGFZCSERA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)CC3CC4(C3)CN(c3ccc5c(c3)C(=O)N(C3CCC(=O)NC3=O)C5=O)C4)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCZEBNLHBACJY-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)c3ccc(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSTTXFDEIQUET-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOGVHGWRJQVSH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIVSFHFXEPWVBJ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDFSZOJUUGDPT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C2CCN(C(=O)C3CC4(C3)CN(c3ccc5c(c3)C(=O)N(C3CCC(=O)NC3=O)C5=O)C4)CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYRIWBTOJHUFC-UHFFFAOYSA-N", "SMILES:NCCC(O)c1ccc(OCC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDWUUUBRBXBSIM-UHFFFAOYSA-N", "SMILES:NCCC(O)c1ccccc1OCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLBRDVHUUWJYQS-UHFFFAOYSA-N", "SMILES:NCC(O)c1cccc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWLLTAILCKERB-UHFFFAOYSA-N", "SMILES:NCCc1cccc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IETDOXKQOAQEOO-UHFFFAOYSA-N", "SMILES:CC(CN)c1cccc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLERTDVTNGGSGY-UHFFFAOYSA-N", "SMILES:NCCc1ccc(F)c(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPQJGLPIYPNWKY-UHFFFAOYSA-N", "SMILES:NCCCc1cccc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQKMXYKZIXGBY-UHFFFAOYSA-N", "SMILES:CC(CCN)c1cccc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHIGIHNJCAGRG-UHFFFAOYSA-N", "SMILES:CC(CN)Cc1cccc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJMXLRQVDCTHJ-UHFFFAOYSA-N", "SMILES:CNCCC(O)c1cccc(OCC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNITVPPEDHWZSB-MLYITYKWSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUIFZJWGAUOCK-MLYITYKWSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSLYUFOQFVUMMC-DGENCXOESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOAQFMPMCYMRBM-ACEZWIMESA-N", "SMILES:CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEJHKQIOWFBJD-MTSJCPIUSA-N", "SMILES:C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUSNCURNIODWJW-QVMIROKRSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHPUKVTEPAYCU-CHGXNQBDSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYYZTRNDUPZLP-LNWTVAAKSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIGHVBYAOWUIOS-MLYITYKWSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFBETOZPBRHSF-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc2c(c1)B(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBFLVGJFFQOHPJ-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(-n3cc(-c4ccccc4)nn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZWFNJJPXNVDPU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(-c2ccc3c(c2)B(O)OC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRKIRKKIBQSAK-UHFFFAOYSA-N", "SMILES:OCc1cn(-c2ccc3c(c2)B(O)OC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPYKMUPRIKDKJ-UHFFFAOYSA-N", "SMILES:OCCc1cn(-c2ccc3c(c2)B(O)OC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDBAGAFMJQAVCF-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(-n3cc(C4CC4)nn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUSLICSGYCKUIR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCc1cn(-c2ccc3c(c2)B(O)OC3)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIYTWZDPIGJWAT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2cn(-c3ccc4c(c3)B(O)OC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNZBJGVIIFMHFD-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(-n3cc(COc4ccccc4)nn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFIKRUIKGHNIS-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(-n3cc(CSc4ccccc4)nn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWCFKBYVRVGLH-UHFFFAOYSA-N", "SMILES:OB1OCc2ccc(-n3cc(COc4ccc(F)cc4)nn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUKDOMCENIUHQE-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2cn(-c3ccc4c(c3)B(O)OC4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDVUJWSQKEZJT-UHFFFAOYSA-N", "SMILES:COc1cccc(OCc2cn(-c3ccc4c(c3)B(O)OC4)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCLZRQHEBAUHJ-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCc3cn(-c4ccc5c(c4)B(O)OC5)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNWHRHGTIBRNSM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKWHXHVFTPTNIH-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2cccc(NCc3ccc(Cl)c(Cl)c3)c2)ccc1C(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYHUARFFBDLROH-OALUTQOASA-N", "SMILES:Cc1cc([C@H](C)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](C)C(=O)O)c(C)c3)c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCDYPJGIHHZNU-VWLOTQADSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3CCC4(CC3)CN(Cc3nc5ccc(C(=O)O)cc5n3C[C@@H]3CCO3)C4)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZNEZGTKRVXKB-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3CCC4(CN(Cc5nc6ccc(C(=O)O)cc6n5C[C@@H]5CCO5)C4)C3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPXWEBHMOYNLH-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3CC4(CN(Cc5nc6ccc(C(=O)O)cc6n5C[C@@H]5CCO5)C4)C3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBDSOERKRPNTSG-QFIPXVFZSA-N", "SMILES:O=C(O)c1ccc2nc(CN3Cc4cn(-c5cccc(OCc6ccc(Cl)cc6F)n5)nc4C3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWXBTQGHLLOQET-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(COc2cccc(OC3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBLVISFBWQMWPX-XZOQPEGZSA-N", "SMILES:N#Cc1ccc(COc2cccc(O[C@@H]3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)C3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBLVISFBWQMWPX-GOTSBHOMSA-N", "SMILES:N#Cc1ccc(COc2cccc(O[C@H]3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)C3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTLBYCJTQJYQF-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3CCC(OCc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSUJHXJHJLKAHW-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3CCC(NCc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQBGMVSFBYYGR-NRFANRHFSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3CC(OCc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)C3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWAXONYEFFLET-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(COc2cccc(C3=CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)C3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBHFMFKOSWNLNX-QHCPKHFHSA-N", "SMILES:N#Cc1ccc(COc2cccc(-c3ccn(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)c3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDJIZVBFEAJHPA-NRFANRHFSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)C3=O)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLFAQRFBBFASQZ-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)C4(CC4)C3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJWYBNKTHPDWHA-JINQPTGOSA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)OC3=O)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYILPJMQNIKTI-QFIPXVFZSA-N", "SMILES:N#Cc1ccc(COc2cccc(-c3cnn(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)c(=O)c3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYAVPDRUBTIOC-QFIPXVFZSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3C=NN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGAMABODOLZDCQ-QHCPKHFHSA-N", "SMILES:CC1=NN(Cc2nc3ccc(C(=O)O)cc3n2C[C@@H]2CCO2)CCN1c1cccc(OCc2ccc(C#N)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKPBDXYFAFOFLX-BVHINDKJSA-N", "SMILES:CC1CN(c2cccc(OCc3ccc(C#N)cc3F)n2)C=NN1Cc1nc2ccc(C(=O)O)cc2n1C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTSKUIPJWCUNN-FQEVSTJZSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3C=NN(Cc4nc5ccc(C(=O)O)nc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLFRBGWWDUUGF-NRFANRHFSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3C=NN(Cc4nc5c(F)cc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXXISSOEOFQIF-FQEVSTJZSA-N", "SMILES:O=C(O)c1cc(F)c2nc(CN3CCN(c4cccc(OCc5ccc(Cl)cc5F)n4)C=N3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQAEBAGBIADKA-QHCPKHFHSA-N", "SMILES:Cc1cc(C(=O)O)cc2c1nc(CN1CCN(c3cccc(OCc4ccc(C#N)cc4F)n3)C=N1)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRXIHAIBSCDJPZ-DEOSSOPVSA-N", "SMILES:CCc1cc(C(=O)O)cc2c1nc(CN1CCN(c3cccc(OCc4ccc(C#N)cc4F)n3)C=N1)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBGYDZZEMOQADU-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3C=NN(Cc4nc5c(C6CC6)cc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYKKTGSSSFMKLR-FQEVSTJZSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3C=NN(Cc4nc5cc(F)c(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNHUTDFHYQDMFK-IBGZPJMESA-N", "SMILES:O=C(O)c1cc2c(cc1F)nc(CN1CCN(c3cccc(OCc4ccc(Cl)cc4F)n3)C=N1)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEVQOBHMQYWQJS-FQEVSTJZSA-N", "SMILES:O=C(O)c1cc(F)c2nc(CN3CCN(c4cccc(OCc5ccc(C(F)F)cc5F)n4)C=N3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADMFVBCZDNKXDT-FQEVSTJZSA-N", "SMILES:O=C(O)c1cc(F)c2nc(CN3CCN(c4cccc(OCc5ccc(C(F)(F)F)cc5F)n4)C=N3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSFXPJTZZPMBZ-QFIPXVFZSA-N", "SMILES:COc1cc(C#N)ccc1COc1cccc(N2C=NN(Cc3nc4c(F)cc(C(=O)O)cc4n3C[C@@H]3CCO3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHVHOBGAFKKBBL-NRFANRHFSA-N", "SMILES:COc1cc(Cl)ccc1COc1cccc(N2C=NN(Cc3nc4c(F)cc(C(=O)O)cc4n3C[C@@H]3CCO3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARRGUNBLOBTMBV-NRFANRHFSA-N", "SMILES:COc1cc(C(F)(F)F)ccc1COc1cccc(N2C=NN(Cc3nc4c(F)cc(C(=O)O)cc4n3C[C@@H]3CCO3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYVBSMNBRHQDD-QHCPKHFHSA-N", "SMILES:CCOc1cc(C#N)ccc1COc1cccc(N2C=NN(Cc3nc4c(F)cc(C(=O)O)cc4n3C[C@@H]3CCO3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAOVHYUXFRDTEK-NRFANRHFSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3C=NN(Cc4nc5c(F)cc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQORHAZIBRHEIZ-QFIPXVFZSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3C=NN(Cc4nc5c(F)cc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVCQFMGZKSIXSW-IBGZPJMESA-N", "SMILES:O=C(O)c1cc(F)c2nc(CN3CCN(c4cccc(OCc5ccc(Cl)c6cc(F)oc56)n4)C=N3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFTAKZPXIBGFKW-NRFANRHFSA-N", "SMILES:Cc1cc2c(Cl)ccc(COc3cccc(N4C=NN(Cc5nc6c(F)cc(C(=O)O)cc6n5C[C@@H]5CCO5)CC4)n3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEKKDPCNSYYFRZ-FQEVSTJZSA-N", "SMILES:O=C(O)c1cc(F)c2nc(CN3CCN(c4cccc(OCc5ccc(Cl)c6c5OCC6)n4)C=N3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPBWYZZANXCAJX-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1sc(C#Cc3cnn(C)c3)c(Cc3ccccc3)c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCRZEXONTRGXJJ-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1sc(C#Cc3cnn(CCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c(Cc3ccccc3)c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXHXYXYGGEYBL-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1sc(C#Cc3cnn(C4CN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)c3)c(Cc3ccccc3)c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCRNHCUTYXXFI-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1sc(C#Cc3cnn(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)c3)c(Cc3ccccc3)c1COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANPNOSKPPVUFTH-UHFFFAOYSA-N", "SMILES:O=C(COC(=O)c1cc(-c2ccoc2)n[nH]1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSVFRMFCXWPMBB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAPIUNQNPKACGN-FNORWQNLSA-N", "SMILES:Cc1c(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)c(C#N)c2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKPYZWXJLENHX-UHFFFAOYSA-N", "SMILES:O=C(OCc1cn2cc(Br)ccc2n1)c1cc(-c2ccco2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKCEOROFIIAMR-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)Nc4ccc(Cl)c(CO)c4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYNQJKATKXEPW-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(NC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZFIACLZLXYOA-UHFFFAOYSA-N", "SMILES:N#Cc1c(C(=O)NCc2ccc(O)c([N+](=O)[O-])c2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITAGGVCDQOKPDL-CSKARUKUSA-N", "SMILES:CCc1c(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLDHEQTBHGUBN-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)NCc2ccc(O)c([N+](=O)[O-])c2)c(Br)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALVPHRCMGAOXCC-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJGBVYTFZDCGX-UHFFFAOYSA-N", "SMILES:C=C(Cl)COC(=O)c1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUVUCLDESFDORT-UHFFFAOYSA-N", "SMILES:CC(C)SCn1cnc2cnn(C)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHXLQBRCSULBC-UHFFFAOYSA-N", "SMILES:N#Cc1cncc(NCc2cc(Br)c[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCRDUQHQBSNSAF-UHFFFAOYSA-N", "SMILES:Cn1ncc(N)c1-c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUYAUMCJLSIJQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CSC1)c1ncnn2cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNCLYNQXMAELI-UHFFFAOYSA-N", "SMILES:Nc1cn2cc(-c3cscc3Cl)ncc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBPQWUYPPCMDF-UHFFFAOYSA-N", "SMILES:Cc1nc2ncc(-c3c[nH]nn3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXLYKXPMAAKCF-UHFFFAOYSA-N", "SMILES:CN(Cc1ccncc1)c1cc(Br)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRJCWRBMHUFCK-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(N3CCNC3=O)c2C)sc1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKKQOBMSRNNSV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)c2cc(C=O)n3c2CCCC3)c2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATDNOGZPIKJJDZ-UHFFFAOYSA-N", "SMILES:CN(C)c1cncc(NC(=O)c2ccc(C=O)cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSHGGLYDPTENH-UHFFFAOYSA-N", "SMILES:O=Cc1cc(F)c(C(=O)Nc2cc(Cl)c3c(c2)OCCO3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYSAQAXRAABJV-UHFFFAOYSA-N", "SMILES:O=Cc1nc2ccccn2c1C=C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBHASCYCWKAKGL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSXQPGYPPXDGF-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)N1CCC(C2C(=O)Nc3cc(Cl)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPDSCEALZAWKKP-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCC(=O)C(=O)N1CCC(C2C(=O)Nc3cc(Cl)ccc32)CC1"]}
{"name": "RNA 5'-monophosphate methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3588740"], "id": "UniProtKB:Q7Z5W3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein arginine N-methyltransferase 9", "xref": ["CHEMBL.TARGET:CHEMBL4105724"], "id": "UniProtKB:Q6P2P2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1491696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAEKOGFNYIJJNL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)noc1-2"]}
{"name": "E3 ubiquitin-protein ligase SMURF1", "xref": ["CHEMBL.TARGET:CHEMBL3879859"], "id": "UniProtKB:Q9HCE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSNPWYMVNWRKM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCc1c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)noc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAGYXKQSLBBSDU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCCc1c(C(=O)Nc3c(C)n(C)n(-c4ccccc4F)c3=O)noc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEGOUZDMYDGCG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2onc(C(=O)Nc3c(C)n(C)n(-c4ccccc4F)c3=O)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLMNMARWXFCWNB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2onc(C(=O)Nc3c(C)n(C)n(-c4ccccc4F)c3=O)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOBYKZACPKXEGW-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)noc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHATUIDLPOPYQD-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)noc1-c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYHCALGSCZPPK-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)noc1-c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQOEFCQCLPHPB-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)noc1-c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHGQICUQDEGMP-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)noc1-c1ccc(C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMMXIUYYWRDSF-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)noc1-c1ccc(C2CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJCHYTWZRDUVHQ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)nnn1-c1ccc(C2CC2)cc1Cl"]}
{"name": "E3 ubiquitin-protein ligase SMURF2", "xref": ["CHEMBL.TARGET:CHEMBL4523460"], "id": "UniProtKB:Q9HAU4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJWRDAYSMQRNBI-NLEAXPPASA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccccc1Cl)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUAMWYZWNLEEGD-ZXNZYJFHSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccc(Br)cc1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLAVPZVSBJTAJD-ZXNZYJFHSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KATVWZSSUSJQBN-NLEAXPPASA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccccc1C(F)(F)F)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJFVNVAEUGQPSB-ZXNZYJFHSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAYBMOTKJWRTB-RBVMOCNTSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccc(C(C)C)cc1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIFUUPNBEZUIKN-QVQNZMNRSA-N", "SMILES:CCCCc1ccc(NC(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLYXJFVAJSZAAK-IZBOUPIGSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1cc(C)cc(C)c1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YULZSXRDIQHTAR-KBOSCXGNSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1c(CC)cccc1CC)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCWAAZQXCVHTC-BAGOZOHOSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1c(C(C)C)cccc1C(C)C)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMWBRQDLNSLTA-IAECCPNBSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUQHJVRAKZTMH-NXYDZRKXSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1c(C)cc(C)cc1C)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIEJTODGRKQXOS-RADBSXNGSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXMSLDTYAIPHV-JGOFXRRVSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1CC(=O)Nc1cccc(-c4ccccc4)c1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIAPYTHRFSSYCX-QIQFFGJASA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHYQYDTQRYKGC-KPYOPSEVSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1CC(=O)Nc1ccncc1C)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWERLFMLVMBCQO-DQMRONCHSA-N", "SMILES:COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNZQLWURDOMOI-NQAVQENRSA-N", "SMILES:O=C(CN1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCO)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHSDEAYVMVZLAR-OUMCCJGNSA-N", "SMILES:CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1CC(=O)Nc1c(C)cccc1C)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCBNAOPBOEAPO-DQMRONCHSA-N", "SMILES:COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1cccc(Cl)c1)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKHNCOJQRFSBFN-ZXNZYJFHSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCGFNYHLRBXSIV-ZXNZYJFHSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIDZOZLBMDNUPM-GQKWGMICSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)N1C[C@@H]2CCCN3CCC[C@H](C1CCCCNC(=O)CCCC[C@H]1SC[C@H]4NC(=O)N[C@H]41)[C@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVIDMORSLLTGGJ-FITXTWLRSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)N1C[C@@H]2CCCN3CCC[C@H](C1CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@H]4NC(=O)N[C@H]41)[C@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSYOGDIPVRFMX-CMDGGOBGSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCSC(=S)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOAYYCAXYRSJU-MDZDMXLPSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCSC(=S)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPIZDJANRHFKG-ZHACJKMWSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCSC(=S)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMJVSRHXIUMQAQ-VAWYXSNFSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCCSC(=S)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYZJATMAKXXTLK-OUKQBFOZSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCCCSC(=S)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJAXXOSJJTYAD-CMDGGOBGSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCSC(=S)N2CCC(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUNYQVNSVRDGSF-VAWYXSNFSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCSC(=S)N2CCCCC2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGSCJBNFQGTHFK-OUKQBFOZSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCSC(=S)N2C(C)CCCC2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOCFEBUWCBSOO-ZHACJKMWSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCSC(=S)N2CCC(N3CCCCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLIPCVTRVGLIW-BQYQJAHWSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCSC(=S)N2CCC(O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKGOOFQVFDLFN-MDZDMXLPSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCSC(=S)N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQUMGAHJGVQQT-MDZDMXLPSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCSC(=S)N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDVVURSQPUZUAW-VAWYXSNFSA-N", "SMILES:CCN(CC)C(=S)SCCCCOc1cccc(NC(=O)/C=C/C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVIDMFUZAMPRN-BQYQJAHWSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCSC(=S)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUDZPPHTGCSLAI-CMDGGOBGSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1cccc(OCCCCSC(=S)N2CCN(C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKPJLCFXSUYOI-OUKQBFOZSA-N", "SMILES:COC(=O)/C=C/C(=O)Nc1ccc(OCCCCSC(=S)N2CCCCC2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFAJZKKAZVRRDC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CSc3ccccc3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMQNDHDHPQPMT-UHFFFAOYSA-N", "SMILES:CC(Sc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASPHFLYDBHFESK-UHFFFAOYSA-N", "SMILES:CCC(Sc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSGEHYXFPWJBV-UHFFFAOYSA-N", "SMILES:CCCC(Sc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEGUJKQMGFDFHP-UHFFFAOYSA-N", "SMILES:CCCCC(Sc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDIWRMWACVBXEE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C(C)(C)Sc3ccccc3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZNKSVNXHYTKI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCSc3ccccc3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFGPMCLYJTXJM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCCSc3ccccc3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDCXMSSMUNVRM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CSc3ccc4ccccc4c3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEWBNSXVKHQDGQ-UHFFFAOYSA-N", "SMILES:CC(Sc1ccc2ccccc2c1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKFCWKSSDEAQD-UHFFFAOYSA-N", "SMILES:CCC(Sc1ccc2ccccc2c1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMHKMPCHSOHJSW-UHFFFAOYSA-N", "SMILES:CCCC(Sc1ccc2ccccc2c1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSUWRUHHORUUFT-UHFFFAOYSA-N", "SMILES:CCCCC(Sc1ccc2ccccc2c1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMSOGEDTFILCKR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C(C)(C)Sc3ccc4ccccc4c3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBRBWQOZACHIX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCCSc3ccc4ccccc4c3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPQKKCFIDNZHBC-UHFFFAOYSA-N", "SMILES:CC(Sc1cccc2ccccc12)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVIPFQNTSQRYEQ-UHFFFAOYSA-N", "SMILES:CCC(Sc1cccc2ccccc12)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIMRKYQSJYCOGG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C(C)(C)Sc3cccc4ccccc34)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZRGDUIFSZQFSB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CSCc3ccccc3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXUJLKUHPDDNRE-UHFFFAOYSA-N", "SMILES:CC(SCc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNYDBFREEDXRGF-UHFFFAOYSA-N", "SMILES:CCC(SCc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZNAAPIFLGHXPR-UHFFFAOYSA-N", "SMILES:CCCC(SCc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUPUGRZHRJWMJR-UHFFFAOYSA-N", "SMILES:CCCCC(SCc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTMAVZRNDXAGAR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCSCc3ccccc3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWHUIUQROSGPGY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCCSCc3ccccc3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCNGWZAYXBXUIE-UHFFFAOYSA-N", "SMILES:CCCC([Se]c1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYYZEJAIVUATEB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCC[Se]c3ccccc3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBMICDSTSMQFOV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C[Se]Cc3ccccc3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUZCXWBLBZPED-UHFFFAOYSA-N", "SMILES:CCC([Se]Cc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQHUSGLRTLSARD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(CCC[Se]Cc3ccccc3)n2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314582", "category": ["biolink:ChemicalEntity"], "name": "BOCODEPSIN BESYLATE", "xref": ["InChIKey:NIRZCQHSBOSBOH-CVYLVPDPSA-N", "SMILES:CC(C)[C@H](N)C(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)O1.O=S(=O)(O)c1ccccc1"], "synonym": ["Bocodepsin besylate", "Oki 179", "Oki-179", "OKI-179", "OKI179", "Bocodepsin besylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBPHKLMOULUBF-YSQWDHOWSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAYSKQVLLQFHRZ-YCKKWYNDSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKNOHKZOEAISPX-TWZMFOMFSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRDCVVVXPHPDOL-ARTZEGNBSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCCCNC(=O)C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWHSWFIXQZUMBL-ZUKXCXFBSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCCCNC(=O)C3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMIRHLKNTXAVMU-FSLBKQBLSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCCCNC(=O)C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUPIMWBLALNBR-AOMUEOSKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCCCNC(=O)CNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOFGNEQSRHZNGI-AOMUEOSKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCCCNC(=O)COc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAVKFVBJFVWLV-FSLBKQBLSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCNC(=O)C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSRLIKALXVAIS-PGPUYBAPSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCOCCNC(=O)C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHCEGWPLWDHEB-ZZXXCRORSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCCCCCCNC(=O)C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZHRKMBISSMURE-LXHHKSBKSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCCCCCCNC(=O)C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKFXXTRNTRYYHR-KADFLDILSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCCCCCCCNC(=O)C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)N(C)C4=O)C5=O)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLHKOXPDWPOCOI-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)Nc3cccnc3-c3ccccc3)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPYLWZYCMYOKV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(-c2ccccc2)c(NC(=O)c2cccc3c2Cc2ccccc2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLKKBTKDOPHWET-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)Nc3cc(C(=O)O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLNHWLHOWOCPK-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSJQRAADOTEPH-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)Nc3cc(C#N)cnc3-c3ccccc3)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRCHVQOJELYQJX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBDQHIVMQMVCQ-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)Nc3cc(OP(=O)(O)O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQFFRSRLFSSMP-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)Nc3cc(O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKYTUFJJWMPNQ-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)Nc3cc(NS(C)(=O)=O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPARBXNPNPOJL-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJESKIUHPIXMIB-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)cnc3-c3ccccc3)ccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUCFDACXFRLSJP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(N)=O)cnc2-c2ccccc2)cc1-c1ccn(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOERVIHNRMGORS-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)Nc2cc(C(N)=O)cnc2-c2ccccc2)cc1-c1ccn(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWZAYLMFNSKSHO-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ccccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGVFSAGTVJVDCP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(C(=O)Nc3cc(C(N)=O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOPVDDPTGYRLON-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ncccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWERUOVYBUMZMZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ccsn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUBRDNSDAXOHQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMICUWJKVYFTRQ-UHFFFAOYSA-N", "SMILES:CC(=O)OCOC(=O)c1cnc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBXVOWEXKOXGT-HFYXTJEHSA-N", "SMILES:COC(=O)[C@H](C)NP(=O)(Oc1ccccc1)Oc1cnc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXJYQUGFAQNBBJ-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccccc2)c(NC(=O)NC2c3ccccc3-c3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGLEZDWHPDRDX-OFNKIYASSA-N", "SMILES:CCOc1nn(-c2ccccc2)c(NC(=O)N[C@H]2CN(CCOC)C[C@@H]2c2ccc(F)c(F)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOXZGVPKIRNQQA-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ncc(NC(=O)c2ccc(C(F)(F)F)c(-c3cn(C)cn3)c2)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIPOAQYYMVUTLP-HWLBEBSUSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCCN[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLUQKRAZSTIJF-AEZQTDCISA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCCCCN[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJOINIDYUFMJO-WZOHOYGLSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCN[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGWKMPLXWKSTO-ZVCIKWEESA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)N3CCN(CCCCCCCCCCCCCN[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNDFVCZIYCTJTR-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccccc3)no2)CCCN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCCZLSKDRWUQF-GIFXNVAJSA-N", "SMILES:CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2c2cccc(O)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWKUCVQJPAGMH-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)cc3)no2)CCCN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKDRIPCJFSQSB-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3cccc(F)c3)no2)CCCN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBQKMFJEBSJNA-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1noc(C2CCCN(c3ccc(F)cc3)C(=O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFJJKGEYNQJQG-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1noc(C2CCCN(c3ccc(F)cc3)C(=O)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPXXSBDQZLXKQ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4ccccc34)no2)CCCN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBBWQKXELXIQB-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cc[nH]c34)no2)CCCN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJFYBNBUSLPGV-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJFYBNBUSLPGV-LBPRGKRZSA-N", "SMILES:O=C1C[C@@H](c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJFYBNBUSLPGV-GFCCVEGCSA-N", "SMILES:O=C1C[C@H](c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRVXHUACVYEFPT-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKOGSCKQQHBKPJ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZSXXOBVNNSJF-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCCC(c3nc(-c4ccc(F)c5cn[nH]c45)no3)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXXPNFUIIISDO-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCCC(c3nc(-c4ccc(F)c5cn[nH]c45)no3)CC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIYGDCYNKYHKBH-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAAHMKJHFGYJHR-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPJNBFGHPYGIS-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUAPQOFEXPNUHA-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGDPODKDUCIAR-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFISNPJFCBEHU-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTLYDBMLVWRWFE-UHFFFAOYSA-N", "SMILES:O=C1CC(c2nc(-c3ccc(F)c4cn[nH]c34)no2)CCCN1c1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFOUJHGWJJEVMF-SZJYFORJSA-N", "SMILES:C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)[C@H]3/C(=C(O)\\C=C\\C=C\\C)C(=O)[C@@]4(C)[C@@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5403200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIJWJFWVAZHKAW-RVPKNCRTSA-N", "SMILES:C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)[C@H]3/C(=C(/O)CC/C=C/C)C(=O)[C@@]4(C)[C@@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL491294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLLZSVPAUUSSB-VQHVLOKHSA-N", "SMILES:Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1O)C(C)(C)CCC2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5418172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPCVWAEJVTLQM-YUMQZZPRSA-N", "SMILES:CN[C@@H](CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBIIIVFFODXJG-IUCAKERBSA-N", "SMILES:CN(C)[C@@H](CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGBYRNAIIABKW-SEJZQFQNSA-N", "SMILES:CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CCC4=C([C@@H](C)CCC=C(C)C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYJKTUJXLVAKKU-PBKYIGLUSA-N", "SMILES:C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@@H]2[C@@H](O)[C@@H]1C(=O)C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5436090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCRRYRBWGOXCY-PBKYIGLUSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(=O)[C@]2(C)CCC[C@@]3(C)[C@@H]4[C@@H](O)[C@@H]5C(=O)C[C@]4(C=C5C)CC[C@@H]32)O[C@H](CO)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBBBTDMEDJKOQH-DAAPRSBJSA-N", "SMILES:C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](OC(C)=O)[C@H]5OC(C)=O)[C@H]4CC[C@]3(C2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUPMOQPDPWRGIX-XHPZPDMZSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(=O)[C@]2(C)CCC[C@@]3(C)[C@@H]4[C@@H](O)C[C@@H]5C[C@@]4(CC[C@@H]32)C[C@@]5(O)CO)O[C@H](CO)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGYQKDQLQMAING-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1cc2cc(Nc3nccc(-c4ccccc4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGCTLLYPBDWRR-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc2cc(Nc3nccc(-c4ccccc4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTDKASKUFGROH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc2cc(Nc3nccc(-c4ccccc4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDITWACXILTDU-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)c1cc2cc(Nc3nccc(-c4ccccc4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKLQIKLGLGCUPY-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc2cc(Nc3nccc(-c4ccccc4OC)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDONMHJFJLXAV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc(Nc3ccc4[nH]c(C(=O)NCCCN(C)C)cc4c3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYGSONPKKLSZNE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc2cc(Nc3nccc(-c4ccc(OC)c(OC)c4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHGSEBHSQMFIQT-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)CCCNC(=O)c1cc2cc(Nc3nccc(-c4cccnc4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYRUSSUCYHDDHY-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc2cc(Nc3nccc(-c4cccs4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFGKUUXFMYSOA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc2cc(Nc3nccc(-c4cccs4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXIZFPXWSHDDFL-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc2cc(Nc3nccc(-c4ccc(Cl)s4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKFSINVCIOQLD-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc2cc(Nc3nccc(-c4ccc(Cl)s4)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLFYECMSPRSTI-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc2cc(Nc3nccc(-c4sc(NC)nc4C)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTJZXJKAVNQER-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccnc(Nc3ccc4[nH]c(C(=O)NCCN(C)C)cc4c3)n2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYYIWNUKTZVXKN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNC(=O)c1cc2cc(Nc3nccc(-c4nc(C)sc4C)n3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUCRPFJLSQLXRO-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1cc2ccc(Nc3nccc(-c4cccnc4)n3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVTFCFMDUCRAQC-MFKUBSTISA-N", "SMILES:O=C(N/N=C/c1ccncc1)c1ccc(Nc2ccnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPMNHWGWCEKQH-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(=O)[nH]c2ccc(C(=O)O)cc21"]}
{"name": "N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL5465363"], "id": "UniProtKB:Q9NY97", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBZVZRZMBVGQRM-MRVPVSSYSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C(=O)O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSMKBXMJGSMWPM-LLVKDONJSA-N", "SMILES:CC(C)NC(=O)c1ccc2[nH]c(=O)n([C@H](C)C(C)(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOVIYPOSKHUPIV-GFCCVEGCSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C(=O)N3CCOCC3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMQDNILLNTDTG-CYBMUJFWSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C(=O)Nc3ccccc3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYKTILAUKTUHC-OAHLLOKOSA-N", "SMILES:Cc1[nH]c2cc(NC(=O)c3ccc4[nH]c(=O)n([C@H](C)C(C)(C)C)c4c3)ccc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDEYIKLNQJLSCW-CYBMUJFWSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C(=O)NCc3ccc(Cl)cc3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFZKCWPDPRERT-UONOGXRCSA-N", "SMILES:C[C@H](NC(=O)c1ccc2[nH]c(=O)n([C@H](C)C(C)(C)C)c2c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFZKCWPDPRERT-ZIAGYGMSSA-N", "SMILES:C[C@@H](NC(=O)c1ccc2[nH]c(=O)n([C@H](C)C(C)(C)C)c2c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFGGIHBPFLCTI-CQSZACIVSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C(=O)NC(C)(C)c3ccc(Cl)cc3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXTUQESGEHCLQX-QWHCGFSZSA-N", "SMILES:C[C@H](NC(=O)c1ccc2[nH]c(=O)n([C@H](C)C(C)(C)C)c2c1)c1ccc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLMZWVVEARAWSJ-QWHCGFSZSA-N", "SMILES:C[C@H](NC(=O)c1ccc2[nH]c(=O)n([C@H](C)C(C)(C)C)c2c1)c1ccc(Br)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCJUZUZTHKAZFK-LSDHHAIUSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)c2ccc3[nH]c(=O)n([C@H](C)C(C)(C)C)c3c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENAYSBWLLNBRT-QWHCGFSZSA-N", "SMILES:C[C@H](NC(=O)c1ccc2[nH]c(=O)n([C@H](C)C(C)(C)C)c2c1)c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWCCBKRKSKGPU-NWDGAFQWSA-N", "SMILES:C[C@H](NC(=O)c1ccc2[nH]c(=O)n([C@H](C)C(C)(C)C)c2c1)c1cnc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSAXWXYZBDHKIN-NWDGAFQWSA-N", "SMILES:C[C@H](NC(=O)c1ccc2[nH]c(=O)n([C@H](C)C(C)(C)C)c2c1)c1cnc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHUASTCJRPOEOT-NWDGAFQWSA-N", "SMILES:C[C@H](NC(=O)c1ccc2[nH]c(=O)n([C@H](C)C(C)(C)C)c2c1)c1ncc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEYZLACTOGUKAF-QWHCGFSZSA-N", "SMILES:Cc1ncc([C@H](C)NC(=O)c2ccc3[nH]c(=O)n([C@H](C)C(C)(C)C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSTRPFIZSPPEAZ-NWDGAFQWSA-N", "SMILES:C[C@H](NC(=O)c1ccc2[nH]c(=O)n([C@H](C)C(C)(C)C)c2c1)c1cnc(C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYFDMSNHRFJPTL-FATZIPQQSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=NC(=O)[C@](C)(c4ccccc4)N3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDNTMGYUCWJQI-IPQOISQHSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=NC(=O)[C@](C)(c4ccc(Cl)cn4)N3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCDNTMGYUCWJQI-VERVWZFWSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=NC(=O)[C@@](C)(c4ccc(Cl)cn4)N3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOSISZTZARMCZ-FATZIPQQSA-N", "SMILES:Cc1ccc([C@]2(C)NC(c3ccc4[nH]c(=O)n([C@H](C)C(C)(C)C)c4c3)=NC2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJTQMSRMMOQNRJ-FATZIPQQSA-N", "SMILES:Cc1ccc([C@]2(C)NC(c3ccc4[nH]c(=O)n([C@H](C)C(C)(C)C)c4c3)=NC2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZEITGJEQQQTTQ-IPQOISQHSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=NC(=O)[C@](C)(c4ccc(C(F)(F)F)cn4)N3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMNNULFNCPYPJ-IPQOISQHSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=NC(=O)[C@](C)(c4ccc(C(F)(F)F)nc4)N3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVXTKSZEJYNLI-FIKIJFGZSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=NC(=O)[C@](C)(c4ncc(Cl)cn4)N3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJWMPXKVESOASZ-IPQOISQHSA-N", "SMILES:Cc1ncc([C@]2(C)NC(c3ccc4[nH]c(=O)n([C@H](C)C(C)(C)C)c4c3)=NC2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXZLGZHJNRWDGN-FIKIJFGZSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=NC(=O)[C@](C)(c4cnc(C(F)(F)F)nc4)N3)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBGBAQNHIOGTR-WSVYEEACSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=N[C@@](C)(c4cnc(C(F)(F)F)nc4)NC3=O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSNOKDFHBFRKFR-VERVWZFWSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=N[C@@](C)(c4ccc(Cl)cn4)NC3=O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIUWUCSJGUQPC-JBEBIEQOSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=N[C@@](C)(c4ccc5nccn5c4)NC3=O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIPVVTALMTYDCW-CHAGWJKLSA-N", "SMILES:Cc1[nH]c2ccc([C@]3(C)N=C(c4ccc5[nH]c(=O)n([C@H](C)C(C)(C)C)c5c4)C(=O)N3)cc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJOWNULQKPOHT-DLUDVSRJSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=N[C@@](C)(c4cc5ccccc5[nH]4)NC3=O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTSWFWKABMPFD-YEBMWUKDSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=N[C@]4(CCc5cc(Br)ccc54)NC3=O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUMJNZJFVMDGDK-CHAGWJKLSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=N[C@@](Cc4ccccc4)(c4cnc(C(F)(F)F)nc4)NC3=O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBVYAYWBCGEZBA-WZQKQDCOSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=N[C@](c4ccc(Cl)nc4)(c4ccccn4)NC3=O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFOGJRBPKICXKR-JCQPUDPBSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=N[C@@](c4cccnc4)(c4nnc[nH]4)NC3=O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBKUWLPVAARFAY-CQSZACIVSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=NC(c4ccc(Cl)cn4)(c4ccc(Cl)cn4)NC3=O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPWYKPUSQHJBG-IPQOISQHSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=C[C@@](C)(c4cnc(C(F)(F)F)nc4)OC3=O)cc21)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVPSZJEQRMFLX-HNNQXCQYSA-N", "SMILES:C[C@@H](n1c(=O)[nH]c2ccc(C3=NOC(C)(c4ccccc4)N3)cc21)C(C)(C)C"]}
{"name": "N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 4", "xref": ["CHEMBL.TARGET:CHEMBL5465353"], "id": "UniProtKB:Q9C0J1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXHCEJOKMTHEO-UPCLLVRISA-N", "SMILES:CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc3ccsc3c2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYFBGRAVKFDWNO-MRDQGFSESA-N", "SMILES:CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc3ncccc3c2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBYHSODZZPTOO-YTTGMZPUSA-N", "SMILES:COc1ccc(-n2c([C@H](Cc3cc(F)cc(F)c3)NC(=O)CN3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQLXWCVLHRHTL-SANMLTNESA-N", "SMILES:COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWJAWUGKVXLMH-DHUJRADRSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)c3nc4ccccc4c(=O)n3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URGRRQZOQYNNQU-KVTPGWOSSA-N", "SMILES:COc1ccccc1CN(C(=O)C[18F])c1cnccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPVGQFLSXXYLH-KPVNRNJOSA-N", "SMILES:CCCN(CCC)C(=O)Cc1c(-c2ccc(OCC[18F])cc2)nc2c(Cl)cc(Cl)cn12"]}
{"name": "Albumin", "xref": ["CHEMBL.TARGET:CHEMBL5291503"], "id": "UniProtKB:A2V9Z4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9541"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3274303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZWSTFVHJPCEM-UHFFFAOYSA-N", "SMILES:Ic1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLUPHDWSUGAOS-UHFFFAOYSA-N", "SMILES:Ic1ccncc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4547890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDEDJRHULYIJOR-UHFFFAOYSA-N", "SMILES:C#Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDGIPMYJALRKV-UHFFFAOYSA-N", "SMILES:Ic1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWUPYMSVAPQXMS-UHFFFAOYSA-N", "SMILES:Brc1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUHZWFGTRURCNC-UHFFFAOYSA-N", "SMILES:C[n+]1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBMMENXWDHRKE-UHFFFAOYSA-N", "SMILES:C[n+]1ccccc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3273124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCKQICVQNDDMCF-UHFFFAOYSA-N", "SMILES:C[n+]1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTJIKSRARSRPBU-UHFFFAOYSA-N", "SMILES:C=Cc1cccc[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTGUZOLWPMJBL-UHFFFAOYSA-N", "SMILES:C#Cc1cccc[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUDVGBIIATHCI-UHFFFAOYSA-N", "SMILES:C[n+]1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HETQOWPCHKBEFO-UHFFFAOYSA-N", "SMILES:C[n+]1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBDRXROBNCUDL-UHFFFAOYSA-N", "SMILES:C[n+]1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPQVJNCIBVIPOK-UHFFFAOYSA-N", "SMILES:C[n+]1cccc(C#N)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5412663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZHSQIASVAADH-UHFFFAOYSA-N", "SMILES:C=Cc1ccc[n+](C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKZVUUJLOGTEQT-UHFFFAOYSA-N", "SMILES:C#Cc1ccc[n+](C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGLQFSDULVWTK-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASOWJZPNLMTBRG-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMNPLPHOVMUCLQ-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQUGKKTJLAUHC-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJWDVSJQPIRAKK-UHFFFAOYSA-N", "SMILES:C=Cc1cc[n+](C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXYZEVYJGPBUNG-UHFFFAOYSA-N", "SMILES:C#Cc1cc[n+](C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZLUCAPHRNBQKI-UHFFFAOYSA-N", "SMILES:C[n+]1cccnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPKKJSJVHMIUKO-UHFFFAOYSA-N", "SMILES:C[n+]1cccnc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYCSGAWGTXHNT-UHFFFAOYSA-N", "SMILES:C[n+]1cccnc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWQEFJZXKFNON-UHFFFAOYSA-N", "SMILES:C#Cc1nccc[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRXHPSFNLAAYCO-UHFFFAOYSA-N", "SMILES:C[n+]1cnccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGAUGAUSUDDRSL-UHFFFAOYSA-N", "SMILES:C[n+]1cncc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFAKEMDBMUVYCL-UHFFFAOYSA-N", "SMILES:C[n+]1cncc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTDXNOKSMWTDMK-UHFFFAOYSA-N", "SMILES:C[n+]1cncc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLNDKIKUUIFBM-UHFFFAOYSA-N", "SMILES:C=Cc1cnc[n+](C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCJSJXZTFABSU-UHFFFAOYSA-N", "SMILES:C#Cc1cnc[n+](C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNKAQRKQLVLFRP-UHFFFAOYSA-N", "SMILES:C[n+]1ccnc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHHCIRUCADWJO-UHFFFAOYSA-N", "SMILES:C[n+]1ccnc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXFJZYUMQXIIQM-UHFFFAOYSA-N", "SMILES:C[n+]1ccnc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJIEFIUUPPGDW-UHFFFAOYSA-N", "SMILES:C=Cc1c[n+](C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUABMBEXGAHFH-UHFFFAOYSA-N", "SMILES:C#Cc1c[n+](C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHTLRZAQHITLCY-UHFFFAOYSA-N", "SMILES:Cn1cc[n+](C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUQSVSAXBSDPG-UHFFFAOYSA-N", "SMILES:Cn1cc[n+](C)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGRIYEROULYODG-UHFFFAOYSA-N", "SMILES:Cn1cc[n+](C)c1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSKHLLBCEXHIEH-UHFFFAOYSA-N", "SMILES:Cn1cc[n+](C)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUACABVGYOKXQI-UHFFFAOYSA-N", "SMILES:Cn1cc(Cl)[n+](C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBANULMALHFXIH-UHFFFAOYSA-N", "SMILES:Cn1cc(Br)[n+](C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOQFGVOCZGIRH-UHFFFAOYSA-N", "SMILES:Cn1cc(I)[n+](C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFIDDJQZAXVXPA-UHFFFAOYSA-N", "SMILES:Cn1cc(C#N)[n+](C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJXDSYCGPUWXNR-UHFFFAOYSA-N", "SMILES:Cn1c(Br)cc[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPVIVSNGPUWDA-UHFFFAOYSA-N", "SMILES:Cn1c(I)cc[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZSSZCNINLAHSY-UHFFFAOYSA-N", "SMILES:Cn1cc(Cl)c[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCMMUAMPCOQDW-UHFFFAOYSA-N", "SMILES:Cn1cc(Br)c[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGKJVNDEOWHROX-UHFFFAOYSA-N", "SMILES:Cn1cc(I)c[n+]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMZORIHGFAUARA-UHFFFAOYSA-N", "SMILES:C#Cc1cn(C)[n+](C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXVRVWMOMYZMS-UHFFFAOYSA-N", "SMILES:C[n+]1ccoc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCRNFVDWOLZIPL-UHFFFAOYSA-N", "SMILES:Cc1o[n+](C)c(C)c1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWVNJCFSKXBPLK-UHFFFAOYSA-N", "SMILES:C[n+]1csc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFUDFMHQALCMK-UHFFFAOYSA-N", "SMILES:C[n+]1ccsc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGQPRQWRACRCSI-UHFFFAOYSA-N", "SMILES:C#Cc1c[n+](C)ccc1NC(=O)CC(=O)N1Cc2ccccc2C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQCZXJSQZOTLPL-UHFFFAOYSA-N", "SMILES:C#Cc1c[n+](C)ccc1NC(=O)N1Cc2ccccc2C1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMPYDQCRBKKPKJ-UQBVIEKNSA-N", "SMILES:CC(=O)O[C@H]1C[C@H]([C@H](C)[C@@H]2OC(=O)C(C)=C(C)[C@@H]2O)[C@@]2(C)CCC3C(C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTYRPIHQJLEEEG-ISJUUXHHSA-N", "SMILES:CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3C(C[C@@H](O)[C@@]4(Cl)CC=CC(=O)[C@]34C)[C@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5396476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNEYTLXAFWQLRK-PCKJNAAASA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2O[C@]2([C@H](C)[C@H]2CC(CO)=C(C)C(=O)O2)[C@@]2(C)CCC3C(C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNMQSNKHQTCFH-XPFZSAMVSA-N", "SMILES:CC(=O)O[C@H]1C[C@@](O)([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5423823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPDEMYHWMITRT-ORKNLRQPSA-N", "SMILES:CC(=O)O[C@H]1C[C@@](O)([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@]12O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMCRDQNRHVJKR-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Br)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOUYKXSRBFNCBF-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(F)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFGWFOWNCXBRL-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCc2ccc[n+]([O-])c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUDSXIMTDIHCO-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUZFHRZENFVJH-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)c3c2CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRLUFTULUUZFU-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOC2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYKYRFANYAYBKQ-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOC2CCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXMRCIPOUIQEK-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMCZLGLOYDMJBI-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPNQFOFGIUAHI-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(I)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWMEOCINIZLKN-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)c(Cl)c2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWMVAKGHRISZLE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCc2ccc[n+]([O-])c2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXOVJVTHAQWBI-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCc2ccc[n+]([O-])c2)cc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZZXJSVAKYWEHP-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)c(I)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOTMQCDESBJWCA-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)c(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARKWBTPJCMUKJE-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZJGPNDIGAOIGY-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCWGPVYIHWZPG-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCc2ccc[n+]([O-])c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAMFYSYGSRGACK-UHFFFAOYSA-N", "SMILES:CCc1cc(OCCc2ccc[n+]([O-])c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQJIPRSSXZMFFU-UHFFFAOYSA-N", "SMILES:COc1cc(OCCc2ccc[n+]([O-])c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPVERJAJFGVIH-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)c(C3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMAXRXQNMWZLJI-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLAUIBHFVMUHAM-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMIYSIJDZGGJSW-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(COc2ccc(Cl)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCALRTWROXSPQW-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCCOc2ccc(Cl)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMDLXVSCELZCFM-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCCc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEMXAVNVAOMLRO-UHFFFAOYSA-N", "SMILES:O=C(CCc1cccc2ccccc12)c1ccc[n+]([O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBFYOAYGFSUDNN-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(OCCc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZGWEAGDVZAOP-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCCc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEJNQGCZRYZROZ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(Cl)cc1)c1ccc[n+]([O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOPMAUTCFKBGO-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCC(F)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDJNVIVLUNMHZ-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc[n+]([O-])c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOKNCGRCXSPAFC-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(NCCc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGTVIDWYDIXDR-UHFFFAOYSA-N", "SMILES:O=c1cccc(CCOc2ccc(Cl)c3ccccc23)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVAERVRWSTMRP-UHFFFAOYSA-N", "SMILES:O=c1cc(CCOc2ccc(Cl)c3ccccc23)cc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQDXNCOUCJSJH-UHFFFAOYSA-N", "SMILES:O=c1cccc(CCOc2ccc(Cl)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZEBFUSIYFZFRM-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCOc2ccc(Cl)c3ccccc23)c[n+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAUXHGFMBUQYHR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCOc2ccc(Cl)c3ccccc23)c(C)[n+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJYTHJESUDBBN-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCCc2ccc(Cl)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCDOXFLLZUSGV-UHFFFAOYSA-N", "SMILES:COc1cc(CCCc2ccc(Cl)c3ccccc23)c[n+]([O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEDVULKXEFRMKL-UHFFFAOYSA-N", "SMILES:[O-][n+]1cc(O)cc(CCCc2ccc(Cl)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZQBEJYPZLBLEY-UHFFFAOYSA-N", "SMILES:[O-][n+]1cc(F)cc(CCOc2ccc(Cl)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPLHUGXFERHOJE-UHFFFAOYSA-N", "SMILES:[O-][n+]1cc(O)cc(CCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTZSYYQLNLMLB-UHFFFAOYSA-N", "SMILES:[O-][n+]1cc(O)cc(CCCc2ccc(Cl)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBVFHYDYIAEDQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCCc2ccc[n+]([O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBBVASPXOOKVTG-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)ccc(OCCc2ccc[n+]([O-])c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQVVNGSSCWQEPZ-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2cccc(Cl)c2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNXCJFNDSUBNI-UHFFFAOYSA-N", "SMILES:[O-][n+]1cccc(CCOc2ccc(Cl)cc2I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLMBRMPOCQQAOE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(OCCc2ccc[n+]([O-])c2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL124977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDXQSUJXSHUIBQ-UHFFFAOYSA-N", "SMILES:CCCCCCNc1cc(O)nc(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGYTKZVACPSNS-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cnc3cc(Br)ccc32)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANQJLVHORSBOEP-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cnc3cc(Br)ccc32)cc(OC)c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDNAXOPVZIEECR-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(C(N)=O)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKVUESQXQHBEP-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(C(=O)OC)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBNKYSPLOMIOY-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(CO)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSZAJEXPQFERTK-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(C(=O)O)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXJMJNRCJKHFPP-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(C(=O)NC)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UARVSLPFGRKWQN-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC)c4)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMAJVXKEVISHMQ-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(C(=O)NC3CC3)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJMKEYLTIHAWEP-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(c2)ncn3-c2cc(OC)c(C(=O)N(C)C3CC3)c(OC)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWAWEZKWMFEJY-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC)c4)ccc32)cc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRKJFKJZUNJKNU-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVJBHQPXESBDEQ-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC(N)=O)c4)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWABSRZIMATJO-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC#N)c4)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTRFWLRGARRAD-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CCOC)c4)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMHSWUFNYQVBA-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C5CCOCC5)c4)ccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARXQRVVEKOEUEV-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5305160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFIFLUFVENTCNZ-QHCPKHFHSA-N", "SMILES:CC1(C)C(=O)N([C@H]2CCc3c(O)cccc32)c2nc(Nc3cccc(CN4CCCC4)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMVTVEIYHBFLGI-UHFFFAOYSA-N", "SMILES:c1cc2n(c1)CCN=C2c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTCFJXNEWPIQU-UHFFFAOYSA-N", "SMILES:CN1CCNCC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJMGGZLKGIAFX-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(CC(C)N)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2321985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQKKIBQVSFDHX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2cccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419", "category": ["biolink:ChemicalEntity"], "name": "MAFENIDE", "xref": ["InChIKey:TYMRLRRVMHJFTF-UHFFFAOYSA-N", "SMILES:NCc1ccc(S(N)(=O)=O)cc1"], "synonym": ["Mafenide", "Mafenide", "Mafenide", "Mafenide", "Mafenida", "Mafenide", "4-homosulfanilamide", "Mafenide", "D06BA03", "NSC-34632", "Sulfamylon", "Mafenide"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5424656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZPPJIMBMJFRGV-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nnnc2SCc2cc([N+](=O)[O-])ccc2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDHTWURFCHCCN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc([N+](=O)[O-])c(CSc2nnc(C3CCCCC3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJZTCAPFVEJQE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc([N+](=O)[O-])c(CSc2nnnn2-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATVJXNRCIGPIU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc([N+](=O)[O-])c(CSc2nnc(-c3ccc(Cl)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZTAWGGKEBNBME-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(F)cc1)c1ccc(CN(C(=O)N2CCN(CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNRJLUHEWLUDDK-UHFFFAOYSA-N", "SMILES:C[N+]1(CCCc2ccccc2)CCN(C(=O)N(Cc2ccc(C(=O)NCCc3ccc(F)cc3)o2)c2ccc(F)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DORTYBFHUKGVCO-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(F)cc1)c1ccc(CN(C(=O)N2CC[N+](CCCc3ccccc3)(Cc3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc2)o1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCBPJHAOOFWWAT-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(F)cc1)c1ccc(CNC(=O)N2CC[N+](CCCc3ccccc3)(Cc3ccc(Cl)c(Cl)c3)CC2)o1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRJDARRYUMELOQ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(F)cc1)c1ccc(CN(C(=O)N2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435454", "category": ["biolink:ChemicalEntity"], "name": "ZELEBRUDOMIDE", "xref": ["InChIKey:XLWJWCMQMBVNSG-LZDHLTRGSA-N", "SMILES:NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCN(C[C@H]3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)cc1"], "synonym": ["Zelebrudomide", "Zelebrudomide", "Zelebrudomida", "Nx-2127", "Zelebrudomide, (s)-", "NX-2127", "Zelebrudomide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485652", "category": ["biolink:ChemicalEntity"], "name": "STAVUDINE TRIPHOSPHATE", "xref": ["InChIKey:ODSQODTUNULBHF-JGVFFNPUSA-N", "SMILES:Cc1cn([C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O"], "synonym": ["D4ttp", "Stavudine triphosphate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5397760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQWPKEDMUGYYQU-JKSUJKDBSA-N", "SMILES:CCCCOP(=O)(OCCCC)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWRUZQVSSMBOEM-JPUNYUJGSA-N", "SMILES:CCCCCCCCCCCCCCCCCCOP(=O)(OCCCC)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYEHLLDPQXUQMU-YYNRDWDXSA-N", "SMILES:CCCCCCCCCCCCCCCCCCP(=O)(OCCCC)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOIPYFBZJCGJV-IZZNHLLZSA-N", "SMILES:CCCCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLYJFQZEBHHTHU-IZZNHLLZSA-N", "SMILES:CCCCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQRJQFYAXWXYCV-JGVFFNPUSA-N", "SMILES:Cc1cn([C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVMCAEQAKIACEJ-UHFFFAOYSA-N", "SMILES:CN(C(=O)N1CCC(CC(=O)N(c2ccccc2)c2ccccc2)(C(=O)O)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSZMXODQHGRVPG-UHFFFAOYSA-N", "SMILES:CN(C(=O)N1CCC(CC(=O)N(c2ccccc2)C2CCCCC2)(C(=O)O)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMIZMFXDEHSMNZ-UHFFFAOYSA-N", "SMILES:CN(C(=O)N1CCC(CC(=O)N(c2ccccc2)C2CCCCC2)(C(=O)O)CC1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHVGNBAVTLBXIZ-UHFFFAOYSA-N", "SMILES:CN(C(=O)N1CCC(CC(=O)N(c2ccccc2)c2ccccc2F)(C(=O)O)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAMPZBBTSHWQI-UHFFFAOYSA-N", "SMILES:CN(C(=O)N1CCC(CC(=O)N(c2ccccc2)C2CCCC(F)(F)C2)(C(=O)O)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGCDAGDGOPHUSI-UHFFFAOYSA-N", "SMILES:CN(C(=O)N1CCC(CC(=O)N(c2cccc(F)c2)C2CCCC(F)(F)C2)(C(=O)O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIZHSCCANOPCD-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(CCC(N)(CO)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL485099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCQGLIFMOHCDGN-UHFFFAOYSA-N", "SMILES:CCCCCCCc1ccc(CCC(N)(CO)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL169107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHIYCKDBZCXAQL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1ccc(CCC(N)(CO)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1191567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXAKCYOWWFCUAR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(CCC(N)(CO)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFNGSGRBZLWTE-FPLPWBNLSA-N", "SMILES:CCCCCC/C=C\\c1ccc(CCC(N)(CO)CO)cc1"]}
{"name": "Troponin C, slow skeletal and cardiac muscles", "xref": ["CHEMBL.TARGET:CHEMBL5465295"], "id": "UniProtKB:P63315", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWQKTHMNMYKCH-UHFFFAOYSA-N", "SMILES:COC1CC(Oc2cc(C3CCOC3)nc(-n3nc(C4CC4)c4cnc(NC(C)=O)cc43)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNZCWHNTOPLOY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)c(C)nn2-c1cccc(C2CCOC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELGKEAVINFPNB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)c(N1CC3(COC3)C1)nn2-c1nccc(C(C)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELSQYVOWCRXAH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)c(C)nn2-c1nc(C2CCOC2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLFUJTLEWKRYFM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)c(-c1ccn(C)n1)nn2-c1ccnc(C(C)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPMYGMHFEYJYME-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)c(-c1ccc(C)nc1)nn2-c1ccnc(C(C)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDDVZNYJQMPVQV-UHFFFAOYSA-N", "SMILES:CCOCCNC(=O)CCn1cc(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)c3ccccc3)nc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBQZFNUDYWDBS-UHFFFAOYSA-N", "SMILES:CCOCCNC(=O)CCCn1cc(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)c3ccccc3)nc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGAKHHWLIFYGNQ-UHFFFAOYSA-N", "SMILES:COCCNC(=O)CCCCn1cc(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)c3ccccc3)nc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4641354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDFZSHSBUXKAC-NIYFSFCBSA-N", "SMILES:C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNSGUREQLETAO-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3C2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQPJGLFPROVJRD-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCc3cnc(Nc4ccc5c(c4)CCOC5)nc3C2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMEFODZSORZQKP-UHFFFAOYSA-N", "SMILES:COC1CCN(c2ccc(Nc3ncc4c(n3)CN(c3cnc5c(c3C)NCCO5)CC4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCIPLAJXLIGACM-UHFFFAOYSA-N", "SMILES:CCc1c(N2CCc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)nc3C2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQDMPNLTWHNBIB-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCc3cnc(Nc4ccc(Cn5nccn5)cc4)nc3C2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBGFBZKYWPRRKI-UHFFFAOYSA-N", "SMILES:Cc1c(N2CCc3cnc(Nc4ccc(Cn5cccn5)cc4)nc3C2)cnc2c1NCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBLPAZNPKXTRN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(Cl)ccc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNZSAPOXJQJFV-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1Cn1cc(-c2ccc(C(=O)OC)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQJWLJWTNQJQJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1Cn1cc(C(=O)N2CC(F)(F)C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSFYBNQYAABMR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1Cn1cc(-c2ccc(C(=O)N3CCC3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJWYLMHTKCRIB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(Cc3cc(Cl)ccc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHVIMIHRYNYTD-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1Cn1cc(S(=O)(=O)c2ccc(C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQDKLEODOIGKGW-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(Cl)ccc3OC)nn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXOCETBQCNSFCU-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1Cn1cc(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVNPMMHWQZFXSF-UHFFFAOYSA-N", "SMILES:CN1CCC(O)(c2cn(-c3cccc(-c4nc(C(N)=O)c5ccccc5n4)c3)cn2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVORGNEHLGUBB-LAHAZMRGSA-N", "SMILES:[2H]c1nc(N)c2nc(-c3cccc(-c4cnc([C@@]5(O)CCN(C)C5=O)s4)c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYWNJIQVSDAXNX-JOCHJYFZSA-N", "SMILES:CN1CC[C@@](O)(c2cc(-c3cccc(-c4cc(C5CC5)nc(C(N)=O)n4)c3)no2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVSWWLQRSIACR-HSZRJFAPSA-N", "SMILES:CN1CC[C@@](O)(c2cc(-c3cccc(-c4cc(N5CC(F)(F)C5)cc(C(N)=O)n4)c3)no2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFMRABJTCVSSN-LJQANCHMSA-N", "SMILES:CN1CC[C@@](O)(c2cc(-c3cccc(-c4ccc(C(N)=O)o4)c3)no2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWRQZYXWJIZAL-GOSISDBHSA-N", "SMILES:CN1CC[C@@](O)(c2cc(-c3cccc(-c4nc(C(N)=O)c(Br)s4)c3)no2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJBUMHLLPCNES-HXUWFJFHSA-N", "SMILES:Cn1c(-c2cc3cccc(OCCc4cnco4)c3n2CC2CC2)nc2cc3c(nc21)CCN(C[C@H](N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIIUZAYVFXKQU-HXUWFJFHSA-N", "SMILES:Cn1c(-c2cc3cccc(OCCc4ccn[nH]4)c3n2CC2CC2)nc2cc3c(nc21)CCN(C[C@H](N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDSWHOUUXLIPO-HXUWFJFHSA-N", "SMILES:Cn1c(-c2cc3cccc(OCCc4ccon4)c3n2CC2CC2)nc2cc3c(nc21)CCN(C[C@H](N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDAFREJPMJXRPV-LJQANCHMSA-N", "SMILES:Cn1c(-c2cc3cccc(OCCc4cnn[nH]4)c3n2CC2CC2)nc2cc3c(nc21)CCN(C[C@H](N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWKPAEDBNWIWNN-HSZRJFAPSA-N", "SMILES:Cn1c(-c2cc3cccc(OCCc4cccnc4)c3n2CC2CC2)nc2cc3c(nc21)CCN(C[C@H](N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGASJTZJKUTRKA-HXUWFJFHSA-N", "SMILES:Cn1c(-c2cc3ccnc(OCCn4ccnc4)c3n2CC2CC2)nc2cc3c(nc21)CCN(C[C@H](N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJOWJUQGYWRHT-UHFFFAOYSA-N", "SMILES:CNCCc1c[nH]c2cccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5398316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGDCZRXYVXBBMP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(O)C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYLFIBIYQXRKEE-QMMMGPOBSA-N", "SMILES:CC(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLIIVKZZMYJRGH-VIFPVBQESA-N", "SMILES:CCC(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGYUDEVTOVZHBC-JTQLQIEISA-N", "SMILES:CCCC(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXNHCFYIXSOSZ-VIFPVBQESA-N", "SMILES:C[C@H](Oc1cc(NC(=O)C2CC2)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGHTUIDFSGMFSP-NSHDSACASA-N", "SMILES:CCC(CC)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTQNORYODPUEY-PXYINDEMSA-N", "SMILES:CCC(CCO)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMOLSMWYHOGDM-WBOGTDJTSA-N", "SMILES:CC/C(=C\\CO)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUIVFALZEFOPQH-VIFPVBQESA-N", "SMILES:CCNC(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDMFGXFCFKUZIE-VIFPVBQESA-N", "SMILES:C[C@H](Oc1cc(NC(=O)N(C)C)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNZBWSDIFZGMJ-JTQLQIEISA-N", "SMILES:CCN(C)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQRGRKAWSSLKDZ-NSHDSACASA-N", "SMILES:CCN(CC)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVFJIPUBKSSQBX-NSHDSACASA-N", "SMILES:CCN(C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLCPURSBXUIASE-VIFPVBQESA-N", "SMILES:CCN(CC(F)F)C(=O)Nc1nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJDTWPTLGCCLX-JTQLQIEISA-N", "SMILES:CCN(CCO)C(=O)Nc1nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKFRTQDVMRZSN-LBPRGKRZSA-N", "SMILES:CCN(CC)C(=O)N(C)c1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLLGCQGNAUQOI-NSHDSACASA-N", "SMILES:C[C@H](Oc1cc(NC(=O)N2CCCC2)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGDJJBWAIAJJW-JTQLQIEISA-N", "SMILES:C[C@H](Oc1cc(NC(=O)N2CCC(F)(F)C2)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXIZECCMXRKMFO-UEWDXFNNSA-N", "SMILES:COCC1CCCN1C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRQPIDTXQIGHH-PXYINDEMSA-N", "SMILES:C[C@H](Oc1cc(NC(=O)N2CCCC2CO)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQDRQLOEGSHYTG-VUWPPUDQSA-N", "SMILES:C[C@H](Oc1cc(NC(=O)N2CCC2CO)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGZVEQVXJSODV-JTQLQIEISA-N", "SMILES:C[C@H](Oc1cc(NC(=O)N2CC(CO)C2)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJSREXLRPZHXMV-VUWPPUDQSA-N", "SMILES:C[C@H](Oc1cc(NC(=O)N2C(=O)CCC2CO)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRHJCISXRYCAPM-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CNc2ccccc2Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBKZNBMVFJEBNU-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CNc2ccccc2Oc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBEXOGHCWJHMHM-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CNc2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJPWAYTJWWZLH-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CNc2ccccc2Oc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAYPWTDLPZJXRY-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CNc2cccc(Oc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPHLUDSGGDPNBT-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CNc2cccc(Oc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKMXVYOZBMWMJD-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOCBELUTTBOQIR-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CNc2ccc(Oc3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAQECLFNGVXIS-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEGPNZQOOSAOPT-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(CNc2ccc(Oc3ccc(C#N)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCROZUUMNPBREO-UHFFFAOYSA-N", "SMILES:CNCCCOc1ccc(CNc2ccccc2Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFDIRTFHAHNKFQ-UHFFFAOYSA-N", "SMILES:CNCCCOc1ccc(CNc2ccccc2Oc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQINFGHGGLEKAL-UHFFFAOYSA-N", "SMILES:CNCCCOc1ccc(CNc2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYWKQJMMDQWBB-UHFFFAOYSA-N", "SMILES:CNCCCOc1ccc(CNc2ccccc2Oc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZOSIMZELBRXCR-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHCWMIWQLGTZKD-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQBZIHTIZXTRS-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMIGSFLWWFQKQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXDWJRVAYEENC-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYACTCGCAUYLSW-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYIKRRGCZMEPDH-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTHPCKNRDXOPZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVQJWKGGIBEOJL-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKSLCBKGAGNDT-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1551597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHHVPDKNKPNKHY-JDXGNMNLSA-N", "SMILES:CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHFBFBLCUQHCJT-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccccc2NCc2ccc(OCCCN3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRARVQFFTUSYTG-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2ccccc2NCc2ccc(OCCCN3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKEDKOKZJIYFPD-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Oc2ccccc2NCc2ccc(OCCCN3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYBLHMWIHRQDAW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccccc2NCc2ccc(OCCCN3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHYUXDZXBJIBAC-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2cccc(NCc3ccc(OCCCN4CCCC4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCOVQIPYOVQQMN-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2cccc(NCc3ccc(OCCCN4CCCC4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWNGHDASFZNUBZ-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(NCc3ccc(OCCCN4CCCC4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJSVSMVWSISHG-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2ccc(NCc3ccc(OCCCN4CCCC4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYMZSHCAAAJFHC-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Oc2ccc(NCc3ccc(OCCCN4CCCC4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVSJVKYMENRYOQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc(NCc3ccc(OCCCN4CCCC4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLIYENGGJIFDE-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccccc2NCc2ccc(OCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOIMAYMASSMET-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2ccccc2NCc2ccc(OCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWKEGAAARYWOJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Oc2ccccc2NCc2ccc(OCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGHRWONTUMYLMZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccccc2NCc2ccc(OCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTQMSXGUVTXEIW-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2cccc(NCc3ccc(OCCCN4CCCCC4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKHCIWINNKRHZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2cccc(NCc3ccc(OCCCN4CCCCC4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMYKZSIRDKMUCO-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(NCc3ccc(OCCCN4CCCCC4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKYKNVIAPGCOE-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2ccc(NCc3ccc(OCCCN4CCCCC4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOBXTWUZNNLMP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Oc2ccc(NCc3ccc(OCCCN4CCCCC4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IODRDZAFIARVTJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc(NCc3ccc(OCCCN4CCCCC4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFFPQFJNKKHDA-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccccc2NCc2ccc(OCCCn3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKOXKSMMXLWLX-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2ccccc2NCc2ccc(OCCCn3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULBJPGRAMPAKKJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Oc2ccccc2NCc2ccc(OCCCn3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPFUCROCJCXHV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccccc2NCc2ccc(OCCCn3ccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSHQUHKNWXJGKE-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2cccc(NCc3ccc(OCCCn4ccnc4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMFUGBJHFVAOE-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2cccc(NCc3ccc(OCCCn4ccnc4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLAUPFBAXMPFX-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(NCc3ccc(OCCCn4ccnc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKRQMZYADMDKZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(Oc2ccc(NCc3ccc(OCCCn4ccnc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HALBSGYCQHWCEB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Oc2ccc(NCc3ccc(OCCCn4ccnc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHDGOPVOLVDGI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Oc2ccc(NCc3ccc(OCCCn4ccnc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4804130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHZTZFKLPQENCC-UHFFFAOYSA-N", "SMILES:NC(N)=NCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4803098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTMQBUKHRJGON-UHFFFAOYSA-N", "SMILES:NC(N)=NCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGSBXMRADBYSRX-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1Cl)SC(/N=C(/N)Nc1cccc3ccccc13)=NS2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1977402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYIAOMDOBRKIU-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)Nc2nc(Nc3ccc(Cl)cc3)n[nH]2)c(S)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1985644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVYYYOQJBIBEHF-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)Nc2nc(Nc3ccc4ccccc4c3)n[nH]2)c(S)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZXVKLAONKHJP-DEHWDJJYSA-N", "SMILES:COc1cc(Cl)c(/C=N/O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(O)OC[C@@H]2CC(O)OC2O)c(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYGFANDTLDLGEH-XSTJCOPDSA-N", "SMILES:COc1cc(Cl)c(/C=N/O[C@H]2C[C@H](n3cc(CNC(=O)c4cc5c(O)cccc5cc4O)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(O)OC[C@@H]2CC(O)OC2O)c(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1278", "category": ["biolink:ChemicalEntity"], "name": "NARATRIPTAN", "xref": ["InChIKey:AMKVXSZCKVJAGH-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1"], "synonym": ["Naratriptan", "Naratriptan", "Naratriptan", "Naratriptan"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL905", "category": ["biolink:ChemicalEntity"], "name": "RIZATRIPTAN", "xref": ["InChIKey:ULFRLSNUDGIQQP-UHFFFAOYSA-N", "SMILES:CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12"], "synonym": ["Rizatriptan", "Rizatriptan", "Rizatriptan", "Rizatriptan", "Rizatriptan", "Rizatriptan", "L-705126", "MK-462 FREE BASE", "Maxalt"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL157138", "category": ["biolink:ChemicalEntity"], "name": "LISURIDE", "xref": ["InChIKey:BKRGVLQUQGGVSM-KBXCAEBGSA-N", "SMILES:CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"], "synonym": ["Lisuride", "Lisuride maleate", "Lisuride", "Lisurida", "Lisuride", "Lysuride maleate", "Revanil 200"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5431768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJQHCAHVZRBRR-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)OCc2cncn2-3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCINFYXCKOWFOY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc2c(cc1F)OCc1cncn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBFNFOMVWVMSOW-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)OCC(=O)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCATSWTSDEZRK-UHFFFAOYSA-N", "SMILES:CC(CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)OCC(=O)N3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYVKQGGYKMFLGG-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)OC(C)(C)C(=O)N3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNRVZFRQABCFMX-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCC(=O)N3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSLPRHWRWPQZEI-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCC(=O)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDPMWOIFLZLCB-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)C(C)(C)CC(=O)N3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHQGVMAACGCQH-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)C(C)(C)CC(=O)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZJDOMNDDOFMAT-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCCC(=O)N3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQCXTOFDUUGMBT-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCCC(=O)N3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWANCUULGHTJJO-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBRZTPIZZHOLG-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFJPNQKPZWYEZ-NVQRDWNXSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)NCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUPWZILPIQWIJJ-NVQRDWNXSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWCXDXOWVZCXRB-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHSLAPJVUIGFZ-XKLVTHTNSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWDRGOGLZOYEY-BGIGGGFGSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSXQXSOXDVHJX-XKLVTHTNSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCXAXEBYSUDWHP-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CCNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKDZASABSHFCP-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXINGZZZHDUCHT-NVQRDWNXSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVGJSBUNOJCQA-NVQRDWNXSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRJEEUVASCLPY-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFODCVHEDPFQC-WVSUBDOOSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCc2cn(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEIDCJAUWFNDY-QTQZEZTPSA-N", "SMILES:CCN(Cc1cn(C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)nn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYGKXGLLHHJZGJ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1ccc2[nH]cc(CCN(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYJDUYIGJRJME-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)c1cccc2[nH]cc(CCN(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1879790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWHDRNGZMHXEZ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccccc2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLSOILHAKCBARI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLVLNNQMURDGPM-UHFFFAOYSA-N", "SMILES:NCc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1370095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPUOYACJXZYTQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL165728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAGFYNSCWICYPA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL138621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNVSPDQTPVECU-UHFFFAOYSA-N", "SMILES:NCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOPUCAPKOUZKPS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(N)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYIGUCFLFKBJC-UHFFFAOYSA-N", "SMILES:NCCc1ccc(C(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHVNPYOTNGECT-UHFFFAOYSA-N", "SMILES:NCCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVSVMNXRLWSNGS-UHFFFAOYSA-N", "SMILES:NCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFVFCILZTYPZEK-UHFFFAOYSA-N", "SMILES:NCc1ccc(CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKJXAQYPOTYDLO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3685342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLSQKHQZWSPLG-RVDMUPIBSA-N", "SMILES:CC1(COc2ccc(/C=C3/SC(O)=NC3=O)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSTOHOXYNISOAV-XCVCLJGOSA-N", "SMILES:Nc1ccc(C(=O)/C=C/c2ccc(Oc3ccc(Cl)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCDKGZPGLRLFW-NYYWCZLTSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(Oc3ccc(Cl)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUCPDQIUCEWLL-JXMROGBWSA-N", "SMILES:CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Oc3ccc(Cl)nn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBJIVGNLWYMCE-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(Oc2ccc(Cl)nn2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAMOUOSCNYTSQT-IZZDOVSWSA-N", "SMILES:Cc1ccc(C(=O)/C=C/c2ccc(Oc3ccc(Cl)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHRGYGFSINRSKW-KGVSQERTSA-N", "SMILES:O=C(/C=C/c1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWFQHADDDVYES-LBPRGKRZSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc(Cl)cc3F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDNWEANUQNODJL-INIZCTEOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc(-c4cnccn4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGHVQFSXTROGRY-HNNXBMFYSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc(-c4cnccn4)cc3F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLGJIPFUTKHAMW-INIZCTEOSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc(-c4ccncn4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYCOHFYFLJVHC-HNNXBMFYSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc(-c4ccncn4)cc3F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHNNUAFGVXSPG-AWEZNQCLSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2cc(C(=O)Nc3ccc4c(cnn4C)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSVZLGLNMZMRZ-HNNXBMFYSA-N", "SMILES:C[C@H]1CCCN1Cc1cc2ccc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDOHUGMONNKLJC-AWEZNQCLSA-N", "SMILES:C[C@H]1CCCN1Cc1nc2ncc(NC(=O)c3ccc(-c4cnccn4)cc3F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKPWNWJBRQYRV-INIZCTEOSA-N", "SMILES:C[C@H]1CCCN1Cc1cc2ccc(NC(=O)c3ccc(-c4cnccn4)cc3F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNXNTDNVVQGZAU-HNNXBMFYSA-N", "SMILES:C[C@H]1CCCN1Cc1cc2ncc(NC(=O)c3ccc(-c4cnccn4)cc3F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJCHEBHHXDKKK-AWEZNQCLSA-N", "SMILES:C[C@H]1CCCN1Cc1cc2nnc(NC(=O)c3ccc(-c4cnccn4)cc3F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVXPELYXGCPQHU-NSHDSACASA-N", "SMILES:C[C@H]1CCCN1Cc1cc2nnc(NC(=O)c3ccc(Cl)cc3F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTWGAXWLMUJKAA-UHFFFAOYSA-N", "SMILES:CC1CCN1Cc1nc2ccc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWIMKODTIVUSB-HZPDHXFCSA-N", "SMILES:Cn1ncc2cc(C(=O)Nc3ccc4nc(CN5C[C@@H](F)[C@H](F)C5)[nH]c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSIDDQGURWMLQM-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(C(=O)Nc3ccc4cc(CNCc5ccc(O)nc5)[nH]c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXESJCDZQHCITR-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(C(=O)Nc3ccc4cc(CN5C6CCCC5CC6)[nH]c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTQYTKHHTVEKZ-UHFFFAOYSA-N", "SMILES:CN1CCCC1c1nc2ccc(NC(=O)c3ccc(-c4cnccn4)cc3F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWMPTTXZMCJME-IBGZPJMESA-N", "SMILES:CN1CCC[C@H]1c1nc2ccc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWMPTTXZMCJME-LJQANCHMSA-N", "SMILES:CN1CCC[C@@H]1c1nc2ccc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQGUHGHDSAIKR-IPFNGEQESA-N", "SMILES:C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)c1cnco1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBYOSWVGZREDQK-UHFFFAOYSA-N", "SMILES:NCc1cc(C(F)(F)F)ccc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEWUHQCGIMUIFW-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2ccc(Cl)cc2Cl)CCN1c1ccc(C(F)(F)F)cc1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXJPAGFHSHXVIP-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccc(C(F)(F)F)cc2CN)CCN1C(=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVXEIKAWVSRME-GFCCVEGCSA-N", "SMILES:C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(C(F)(F)F)cc1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTZTCZWQBJNQL-MRXNPFEDSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(C(F)(F)F)cc1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMUMSOSMEHFTKT-HNAYVOBHSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(C(F)(F)F)cc1CNC[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXUFJDOQKLLGA-MRXNPFEDSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(C(F)(F)F)cc1C(=O)NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMAKGJIMDRCZMQ-FGZHOGPDSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQDLZARCHLAKFC-NHCUHLMSSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHLUXVPCAKJTGJ-MXZAQFNOSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)C34CCC(C(F)(F)F)(CC3)CC4)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXKRZELPWRZOAD-JOCHJYFZSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCC3)C[C@H]2CC)c(C(=O)NC2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUQQHENNINHTJN-HSZRJFAPSA-N", "SMILES:CCOc1ccccc1-c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCC3)C[C@H]2CC)c(C(=O)NC2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLMXLWRALLRVDP-FGZHOGPDSA-N", "SMILES:CCOc1ccccc1-c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414447", "category": ["biolink:ChemicalEntity"], "name": "ATUMELNANT", "xref": ["InChIKey:QJRFBKYETDVAJQ-ZEQKJWHPSA-N", "SMILES:CCOc1ccccc1-c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CN3CCC2CC3)n1"], "synonym": ["Atumelnant", "Atumelnant", "Atumelnant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAVXEIKAWVSRME-LBPRGKRZSA-N", "SMILES:C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(C(F)(F)F)cc1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTKOPRUIKVBNH-HXUWFJFHSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(-c2ccccc2F)cc1C(=O)NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUSNYJCMJGLAJE-HXUWFJFHSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(-c2ccccc2Cl)cc1C(=O)NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTJYTHDYBFKMIU-JOCHJYFZSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(-c2ccccc2C#N)cc1C(=O)NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LARSHXXAROZATQ-LJQANCHMSA-N", "SMILES:CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1c1ccc(-c2cccc(F)c2Cl)cc1C(=O)NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHAJNVVGWDYGV-JOCHJYFZSA-N", "SMILES:CCOc1ccccc1-c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C[C@H]2CC)c(C(=O)NCCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUEJGIDEYWJGCM-JOCHJYFZSA-N", "SMILES:CCOc1ccccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)C[C@H]2CC)c(C(=O)NCCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPTKBFOYNOFIHQ-JOCHJYFZSA-N", "SMILES:CCOc1ccccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCQLYQKTDDCRGE-OAQYLSRUSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSQCQZGUVZRQPB-JOCHJYFZSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCNC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVCKHKIVVTFLX-HSZRJFAPSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUILAXWMJXUEHM-OAQYLSRUSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN(C)C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMGKZLINBKZDS-OAQYLSRUSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKYJWZIPYEQJN-HXUWFJFHSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCNC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRFZAQHYQUHCHX-FGZHOGPDSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKLZLHRJXJZMZ-NHCUHLMSSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMPHELGGVNMYEX-RCZVLFRGSA-N", "SMILES:CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CN3CCC2CC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVVRIZGTMNCPSN-NSCUHMNNSA-N", "SMILES:COc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKQYEXUIAHUAU-ZXGHGTNSSA-N", "SMILES:C[C@H]1CC(C(=O)CC#N)[C@]12CCN(c1ncnc3[nH]ccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBSBLASSZZLXOI-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)N2CCN(c3nc(Nc4ccc(N5CCOCC5)cc4)ncc3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEYXIOPTOLEIM-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)N2CCN(c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3216659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVZJSHRSJMHZLV-BEDCTKBTSA-N", "SMILES:Cl.Cl.O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXVVUJJCDZDPLO-CRNVARIRSA-N", "SMILES:Cl.Cl.O=C1Nc2c(Br)cccc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGIWQJIYOMOYRT-NKFKGCMQSA-N", "SMILES:O=C1NC(N2CCC(N3CCOCC3)CC2)=N/C1=C\\c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFDRJFTTXKBBN-JCMHNJIXSA-N", "SMILES:NC1=N/C(=C\\c2ccc3c(c2)-c2ccccc2C3)C(=O)N1CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNVEZWJSAOEKK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1sccc1Nc1cccc2c1OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMUBRDNCIWKVPM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1sccc1Nc1cccc2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMOUWPFIHVCDZ-HNNXBMFYSA-N", "SMILES:CCCN(CCC)S(=O)(=O)c1ccc(C(=O)CC[C@H](N)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWZVEJMYVCEEJM-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2cccc(OC(F)F)c2F)c(=O)n3Cc2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAQVPHXDRFQEOB-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDURSDXJXKAPQ-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cncc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIQVILSAEGHGSQ-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2cccc(OC)c2F)c(=O)n3Cc2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKSAUYOCWFXUSD-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC(F)F)nn2)c(=O)n3Cc2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSRPHVCAQMYOJ-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OCC(F)(F)F)nn2)c(=O)n3Cc2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQXCVVLHUSXOW-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OCC(F)(F)F)cc2)c(=O)n3Cc2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMMMXDSGQZLEJD-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc4c(c2F)OCO4)c(=O)n3Cc2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXNAVSUTHFWMF-UHFFFAOYSA-N", "SMILES:CNc1ccc(-n2c(=O)c3c(CN(C)C)c(-c4ccc(NC(=O)NOC)cc4)sc3n(Cc3c(F)cccc3F)c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHVKLPCWOSMAK-UHFFFAOYSA-N", "SMILES:CCc1ccc(-n2c(=O)c3c(CN(C)C)c(-c4ccc(NC(=O)NOC)cc4)sc3n(Cc3c(F)cccc3F)c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGPMVMMFWAZDOJ-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2cccc(OC(F)F)c2F)c(=O)n3Cc2c(F)cccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKFRZMFRXETFE-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2cccc(OC(F)F)c2F)c(=O)n3Cc2c(F)cncc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGBJMSJOCTKFU-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2c(=O)c3c(CN(C)C)c(-c4ccc(NC(=O)NOC)cc4)sc3n(Cc3c(F)cccc3F)c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1800157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPZRJVNQZIXSF-UHFFFAOYSA-N", "SMILES:COCCN(C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccc(OC)nn1)c(=O)n2Cc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHHVWOROTLFBDK-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCOC(F)(F)F)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJOXDPVMGPNDI-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(=O)c3c(CN(C)C)c(-c4ccc(NC(=O)NOCC(F)F)cc4)sc3n(Cc3c(F)cccc3F)c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCOFPSLIHQZOPC-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(=O)c3c(CN(C)C)c(-c4ccc(NC(=O)NOCC(F)(F)F)cc4)sc3n(Cc3c(F)cccc3F)c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTYAFIOBRQYWOW-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(=O)c3c(CN(C)C)c(-c4ccc(NC(=O)NOCC5CC5)cc4)sc3n(Cc3c(F)cccc3F)c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLQVXLDPOGBXIX-HXUWFJFHSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN2CC[C@@H](OC)C2)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNOVUHKABHKYTM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(=O)c3c(CN(C)C)c(-c4ccc(NC(=O)NOC5CCC5)cc4)sc3n(Cc3c(F)cccc3F)c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITULOVJBTRLROY-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCOC(F)(F)F)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCGERKHENZEDU-UHFFFAOYSA-N", "SMILES:CONC(=O)Nc1ccc(-c2oc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)cc2)c(=O)n3Cc2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLASKBGGDQHQF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(=O)c3c(CN(C)C)c(-c4ccc(NC(=O)NOCC(F)F)cc4)oc3n(Cc3c(F)cccc3F)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBNQXRAFDRJBS-UHFFFAOYSA-N", "SMILES:c1ccc(CNCc2ccccc2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1624605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIAXBZLCBZKKRR-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccccc2CNCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXBABMYSOULBPE-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccccc2CNCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDMVNFAIEVXICA-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2ccccc2CNCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYHMYYADYNZHX-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2ccccc2CNCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGEXJNMXYNLBFU-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2ccccc2CNCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXAGAMFYEFKOII-UHFFFAOYSA-N", "SMILES:Clc1ccc(COc2ccccc2CNCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1619401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQYYPEABZCQIEL-UHFFFAOYSA-N", "SMILES:Clc1ccc(COc2ccccc2CNCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTULWTCPJCOXCV-UHFFFAOYSA-N", "SMILES:Clc1ccc(COc2ccccc2CNCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJYZWIGUPQXWGU-UHFFFAOYSA-N", "SMILES:Brc1ccc(COc2ccccc2CNCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTRRXKVGDEFBD-UHFFFAOYSA-N", "SMILES:Brc1ccc(COc2ccccc2CNCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLYHXPYTNVCHBG-UHFFFAOYSA-N", "SMILES:Brc1ccc(COc2ccccc2CNCc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRHGNCLTAVNEEC-UHFFFAOYSA-N", "SMILES:Clc1cccc(COc2ccccc2CNCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMYKVGAJFNTRAQ-UHFFFAOYSA-N", "SMILES:Clc1cccc(COc2ccccc2CNCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRYYIHISROZCQD-UHFFFAOYSA-N", "SMILES:Clc1cccc(COc2ccccc2CNCc2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGNQRAQMQKZMES-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2cccc(CNCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJTLMMADSZFVTJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2cccc(CNCc3cccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1621454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDMZJRHSPLGFQQ-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2cccc(CNCc3ccncc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPFEEJBWAWECJ-UHFFFAOYSA-N", "SMILES:Clc1ccc(COc2cccc(CNCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDWAWUJEQQVUNN-UHFFFAOYSA-N", "SMILES:Clc1ccc(COc2cccc(CNCc3cccnc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1625935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGKMEZYPPJWNA-UHFFFAOYSA-N", "SMILES:Clc1ccc(COc2cccc(CNCc3ccncc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUFUDQMKECPDLX-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(CNCc3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDMIJNZTZKLPP-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccc(CNCc3ccncc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMTXBOZUDEVCC-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2ccc(CNCc3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYLDEGCNEKRIMA-UHFFFAOYSA-N", "SMILES:Fc1ccc(COc2ccc(CNCc3ccncc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBXWYHOMOHIJHV-UHFFFAOYSA-N", "SMILES:Clc1ccc(COc2ccc(CNCc3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3344195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWZOAUPGLKFBLX-UHFFFAOYSA-N", "SMILES:Clc1ccc(COc2ccc(CNCc3ccncc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUKPSKQYRRHMD-UHFFFAOYSA-N", "SMILES:Brc1ccc(COc2ccc(CNCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFKBVQOVAAXOB-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(CNCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIEIMOSJCQWQQZ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(COc2ccc(CNCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYCHTNPFMSIWES-UHFFFAOYSA-N", "SMILES:Brc1cccc(COc2ccc(CNCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYDOHRNEHDFUQW-UHFFFAOYSA-N", "SMILES:Brc1ccccc1COc1ccc(CNCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUUXRCORNFWPR-UHFFFAOYSA-N", "SMILES:CC1=NNC2Oc3ncn(N)c(=N)c3C(c3ccccc3Br)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVPIJKAXGZXTG-UHFFFAOYSA-N", "SMILES:CC1=NNC2OC(NS(=O)(=O)c3ccc(C)cc3)=C(C#N)C(c3ccccc3Br)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXWRNKSIUZHJU-IBGZPJMESA-N", "SMILES:CCCCC[C@H]1CCCN1C(=O)c1nn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)sc12"]}
{"name": "Sodium-dependent proline transporter", "xref": ["CHEMBL.TARGET:CHEMBL3317335"], "id": "UniProtKB:Q99884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCDCSUFMDNCKDI-BETUJISGSA-N", "SMILES:C[C@@H]1CN(c2nc(N3CCOCC3)c3sc(-c4ccn[nH]4)cc3n2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXRZPHQBTHQXSV-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWCGSPBENFEPE-VWLOTQADSA-N", "SMILES:O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKLYTOEMRFKAD-UHFFFAOYSA-N", "SMILES:COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL589258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAXFYGBKZSQBIV-UHFFFAOYSA-N", "SMILES:CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQWZFLMPDUSYGV-POHAHGRESA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL263664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZIDZIGAXXNODG-UHFFFAOYSA-N", "SMILES:NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1765740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPHOXTXAKOFMU-WBVHZDCISA-N", "SMILES:CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEBHGEYNGDJWAR-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(C#N)c(N4CCOCC4)c3c2)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNYBAJICOMSMB-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cccc([N+](=O)[O-])c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRIIBSFPJCPCNT-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cccc(N)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNAIIFOZNNOUFU-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3ccccc3OC)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDHKYYJKBCGIL-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cccc(F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCVHNNZHDQKLA-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cccc(Cl)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEKFDDXVBDQCDW-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cccc(Br)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZQUCIDBOLJFHA-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANULIKRGEVJJFZ-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cccc(C#N)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJNBDYORHKGXLZ-UHFFFAOYSA-N", "SMILES:COc1cccc(NNC(=O)c2cc3cc(OC)ccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEIKSQPRRWEWBN-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cc(F)cc(F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDJFIKFQLKJRBA-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cc(Cl)cc(Cl)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCHYMUKQFBGJE-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cccc(Cl)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMEQWPWIQHLWLZ-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)NNc3cccc(Br)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKIQOEOELHJGQJ-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)Nc3cccc(Cl)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNAKAECMKPNHBW-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)N(C)c3cccc(Cl)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBIOIMWAFNOIFZ-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)N(C)c3cccc(Br)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INRUHUPERPBMSG-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)N(C)c3cccc([N+](=O)[O-])c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMPMXVDJEPGLDP-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)N(C)c3cccc(N)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWPMJYPNBXTVJF-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)N(C)c3cccc(C#N)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUYNGXZVVNYDI-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)N(C)c3cc(F)cc(F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQAUCAOUDRNSEC-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)N(C)c3cc(Cl)cc(Cl)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRFROWVAIWCIB-UHFFFAOYSA-N", "SMILES:COc1ccc2sc(C(=O)N(C)N(C)c3cccc(Br)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVYCASVWQZAKS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNUFCVFEZWEKRQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2ccc(CC(=O)O)cc2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QARIHYFKTQTHPK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2cccc(C(=O)O)c2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKQKTMSPPNECU-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2cccc(CC(=O)O)c2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKXZHAVSPXLWEX-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFXSRZAAHHCDB-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2ccc(CC(=O)O)cc2)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYENWVNLAWKOLV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2ccccc2C(=O)O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZOOFUXDCMJRE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2ccccc2C(=O)O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKPZTRZWGWGJOK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2cccc(C(=O)O)c2)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWELYGMPWOOKFG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCOc1ccc(-c2cccc(CC(=O)O)c2)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATAMLAZOCQANDV-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCOc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOIXIVGFSLEVCX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc(NC(C)(C)C)nc2cc(-c3ccc(C)cc3)sc12.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXUDZYOTKRABQV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3nc(NC(C)(C)C)nc(NCCN(C)C)c3s2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTEFLTLDDPNISA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1nc(NC(C)(C)C)nc2cc(-c3ccc(C)cc3)sc12.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKLRGERKXJSQFY-LGQZFRORSA-N", "SMILES:CN1CCC[C@H]1COc1nc2c(c(N3CCC4C(=O)OC4C3)n1)CCN(c1cccc3cccc(Cl)c13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOCGYIRJRNMJS-XXBNENTESA-N", "SMILES:O=C1O[C@H]2CN(c3nc(OCC45CCCN4CCC5)nc4c(F)c(-c5cccc6cccc(Cl)c56)ncc34)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCELRPBXOMPOMR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPSCSRVXHHXKS-UHFFFAOYSA-N", "SMILES:Nc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTFDAJDPWDBQN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILAUDYWRBVORGL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEEZPQDRERDKCT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWDQEVWRDSXRV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAFXXKQYEHVYEW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QERWAQLCLNMIGP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYWOCLUTJNEMNK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBFNNBAMKDFEY-UHFFFAOYSA-N", "SMILES:Nc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLXDCKMYPQEHPT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVXZIYHEHJSJW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDSFFULAHCCXKI-KRXBUXKQSA-N", "SMILES:Nc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQPRJWJHLCXLI-WTDSWWLTSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYTVURXWZCHKP-WTDSWWLTSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXYSCSFZDSRAII-SWGQDTFXSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAFMPOAOSWIWJV-SWGQDTFXSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQISTAGZHFPOHP-HMMKTVFPSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDKIZJWSKADHK-UNXLUWIOSA-N", "SMILES:Nc1ccc(NC(=O)/C=C/c2cc(O)ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNARGPXZUXVUSV-BCTAIJSYSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTFQHRMEXVBIC-WTDSWWLTSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSFGTMFDIOZMPN-KGVSQERTSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDVKBWZCWJLHNQ-KGVSQERTSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1ccc(NC(=O)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFFEOOJZPKENR-NJDSBKIZSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1ccc(NC(=O)/C=C/c2cc(O)ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUUXCJDFICIGB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccc(NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMIKDBAKPMNVMA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3F)cc2)cc1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYKZNZBKCAZGKH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2)cc1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWVQPBGDZLFBNC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccc(NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCQWOKCZLKUXNO-BCTAIJSYSA-N", "SMILES:O=C1C=CC(=O)C(/C=C/C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3F)cc2)=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSQJXJDEIVDXEH-WTDSWWLTSA-N", "SMILES:O=C1C=CC(=O)C(/C=C/C(=O)Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTTCIXGKLHKKJJ-KGVSQERTSA-N", "SMILES:O=C1C=CC(=O)C(/C=C/C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAUBZGAVMACPW-JOQURMOASA-N", "SMILES:C[C@]12Cc3cnn(-c4ccccc4)c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIUCYTASWQYXSS-BXTCEAQLSA-N", "SMILES:Cc1ccc(-n2ncc3c2C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](O)CC[C@@H]45)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYRSWIKOIKXFS-NFBQOUGQSA-N", "SMILES:COc1ccc(-n2ncc3c2C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](O)CC[C@@H]45)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRQSLKJYOQWDY-WHUDGXIFSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(Br)cc4)c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNJZRBURDLVLCV-BXTCEAQLSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(C#N)cc4)c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJCCBBDAICEXIL-WHUDGXIFSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc([N+](=O)[O-])cc4)c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXSGJBQMZMINT-JOQURMOASA-N", "SMILES:C[C@]12Cc3cn(-c4ccccc4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNRPWBBIOUWMF-BXTCEAQLSA-N", "SMILES:Cc1ccc(-n2cc3c(n2)C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](O)CC[C@@H]45)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWHMWQJNAPADU-NFBQOUGQSA-N", "SMILES:COc1ccc(-n2cc3c(n2)C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](O)CC[C@@H]45)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZUBFUROXYPNHM-WHUDGXIFSA-N", "SMILES:C[C@]12Cc3cn(-c4ccc(F)cc4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHXNHHBMIYHVCC-WHUDGXIFSA-N", "SMILES:C[C@]12Cc3cn(-c4ccc(Cl)cc4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRDCGYJEOMHHHF-WHUDGXIFSA-N", "SMILES:C[C@]12Cc3cn(-c4ccc(Br)cc4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHAQQDDWDWBQV-BXTCEAQLSA-N", "SMILES:C[C@]12Cc3cn(-c4ccc(C#N)cc4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVNSDXZMSOXGH-WHUDGXIFSA-N", "SMILES:C[C@]12Cc3cn(-c4ccc([N+](=O)[O-])cc4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYZJHFWWCBLTGH-OIIPHGIHSA-N", "SMILES:Cc1c2c(nn1-c1ccccc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSWYWJCKVVNZAD-PYGTYUTKSA-N", "SMILES:Cc1ccc(-n2nc3c(c2C)C[C@@]2(C)[C@@H](CC[C@@H]4[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]42)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZOZAMTXOFXABD-WEEQSWGLSA-N", "SMILES:COc1ccc(-n2nc3c(c2C)C[C@@]2(C)[C@@H](CC[C@@H]4[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]42)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSUPQZRHRUHVPB-NYKSWYAJSA-N", "SMILES:Cc1c2c(nn1-c1ccc(F)cc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRULBLWJTHLNEO-NYKSWYAJSA-N", "SMILES:Cc1c2c(nn1-c1ccc(Cl)cc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZQTZGUQZARIJZ-NYKSWYAJSA-N", "SMILES:Cc1c2c(nn1-c1ccc(Br)cc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLVRRZTNOPFMC-PYGTYUTKSA-N", "SMILES:Cc1c2c(nn1-c1ccc(C#N)cc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPQSEGAVMJEDB-NYKSWYAJSA-N", "SMILES:Cc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQZEHADHHRREZ-GZECGTERSA-N", "SMILES:Cc1c2c(nn1-c1ccccc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMLOIMOZFNDRE-HTSUKOBFSA-N", "SMILES:Cc1ccc(-n2nc3c(c2C)C[C@@]2(C)[C@@H](CC[C@@H]4[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]42)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMBMLYDFNEDIG-XILXSNESSA-N", "SMILES:COc1ccc(-n2nc3c(c2C)C[C@@]2(C)[C@@H](CC[C@@H]4[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]42)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQBRRXHIZLPMF-AONLPZLNSA-N", "SMILES:Cc1c2c(nn1-c1ccc(F)cc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBALHURBMVGSJ-AONLPZLNSA-N", "SMILES:Cc1c2c(nn1-c1ccc(Cl)cc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIOABMDBBZZWSF-HTSUKOBFSA-N", "SMILES:Cc1c2c(nn1-c1ccc(C#N)cc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKCHZSBGNETII-AONLPZLNSA-N", "SMILES:Cc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTQIGVTXHDSCB-CGUCMAFQSA-N", "SMILES:Cn1nc2c(c1-c1ccccc1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAANELYGONAWPL-MCZPKJSXSA-N", "SMILES:Cc1ccc(-c2c3c(nn2C)C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](O)CC[C@@H]45)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVXPSJFCJRTOX-GAWAEYBMSA-N", "SMILES:COc1ccc(-c2c3c(nn2C)C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](O)CC[C@@H]45)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNXKIFPWLQXCO-QFULPGBDSA-N", "SMILES:Cn1nc2c(c1-c1ccc(F)cc1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBFQVGEMFXMHS-QFULPGBDSA-N", "SMILES:Cn1nc2c(c1-c1ccc(Cl)cc1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAAILBMWPGSBDQ-ZGWLSLSKSA-N", "SMILES:C[C@]12Cc3c(nn(-c4ccccc4)c3-c3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHXFXVDGJXCDL-VFXAEIARSA-N", "SMILES:C[C@]12Cc3c(nn(-c4ccccc4)c3-c3ccc(Cl)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORJGMPZMIPSBQ-VFXAEIARSA-N", "SMILES:C[C@]12Cc3c(nn(-c4ccccc4)c3-c3ccc(O)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCYNGQNCXWGUSF-ZKZKQZJWSA-N", "SMILES:Cc1c2c(nn1C)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKLZIRJAAMKIKA-ZLALZESISA-N", "SMILES:Cn1nc2c(c1-c1ccccc1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFKUORAHADFKO-HLBQXCBQSA-N", "SMILES:Cc1ccc(-c2c3c(nn2C)C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)C(=O)CC[C@@H]45)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBZVUHSDUEJPQ-DSMIKWNASA-N", "SMILES:COc1ccc(-c2c3c(nn2C)C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)C(=O)CC[C@@H]45)[C@@]2(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDJXQYXTDUAEHH-QSGUCAJSSA-N", "SMILES:Cn1nc2c(c1-c1ccc(F)cc1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIJZAOZHIRVDE-QSGUCAJSSA-N", "SMILES:Cn1nc2c(c1-c1ccc(Cl)cc1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSXSGHRGONMMMI-QSGUCAJSSA-N", "SMILES:Cn1nc2c(c1-c1ccc(Br)cc1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJAGROQHCZIHMW-JSZAOVGHSA-N", "SMILES:Cn1nc2c(c1-c1ccco1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFMGYCPURKSCF-JSZAOVGHSA-N", "SMILES:Cn1nc2c(c1-c1cccs1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLSJEYUFVBHJDD-DBHIEOFLSA-N", "SMILES:C[C@]12Cc3c(nn(-c4ccccc4)c3-c3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZONIOAMWSYEAU-GLHJXHRQSA-N", "SMILES:C[C@]12Cc3c(nn(-c4ccccc4)c3-c3ccc(Cl)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVDCCLEIZUSMS-GLHJXHRQSA-N", "SMILES:C[C@]12Cc3c(nn(-c4ccccc4)c3-c3ccc(O)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTRVIRJEAKUGJ-FDFLVNFVSA-N", "SMILES:Cc1c2c(nn1C)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]1(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXCZTIXOKAMKFU-WHUDGXIFSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISDHWWHOLMPZEF-WHUDGXIFSA-N", "SMILES:C[C@]12Cc3cnn(-c4ccc(Cl)cc4)c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWIFVFLWKMDDI-KTJBHOQWSA-N", "SMILES:Cn1nc2c(c1-c1ccco1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWEQHTUZKJMJMX-KTJBHOQWSA-N", "SMILES:Cn1nc2c(c1-c1cccs1)C[C@@]1(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@@H]31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNQCSRNZQOXJR-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3nc4ccc(F)cc4s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAAUOGGEFFTQCD-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(CSc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSIBVGVNIYOFX-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2cccc(OCC3CCN(Cc4ccc(N5CCOCC5)cc4)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFTUAILDFKCNPZ-ZAWMEEFFSA-N", "SMILES:CCCN(C)c1ccc(CN2[C@@H]3CC[C@H]2CC(Oc2cccc(Oc4ccccc4)c2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGKWQNSSYKKOJI-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC3(CC2)CC(Oc2cccc(Oc4ccccc4)c2)CO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNKRVIKBJXBLP-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCCC(Oc3cccc(Oc4ccccc4)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXLROSCZWRIJR-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3cccc(C(=O)c4ccc(Cl)cc4)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXOHYSJUBYNSE-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3cccc(Oc4ccccc4)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCVCHKCVEBCEBO-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3cccc(Nc4ccccc4C)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMUPTQJUPTTPU-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3cccc(Cc4ccc(Cl)cc4)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULOWEOGHXGEKP-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3cc(=O)n(C)c4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCGMWCXCJULISX-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3ccc4ccccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CREUWGITZLTZDV-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCNJWXEWAYSRR-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVDVIITONLFPF-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3ccc(Br)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELKIDMEJICGCF-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRLFYWOJKKPSAX-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3ccccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHHHSGYRVGQOE-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3ccccc3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLWTQYPVOGUSG-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3cccc(Br)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVSXTNABUUMAM-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3ccc(Cl)cc3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CURLTFLVQSTJTM-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3c(F)cccc3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFTJDVBANVUTOE-BOPPWTAWSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXOJTDGGCKUMK-UHFFFAOYSA-N", "SMILES:CCCN(C)c1ccc(CN2CCC(COc3ccc(OC)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEVQKVZXSCKPKC-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccccc2OC2CCNCC2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKUSDYUAEFGVEB-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccccc2OC2CCNC2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDNZBCBGGOMRE-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OC2CCNC2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACIRVPSSLPRRX-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OC2CCNCC2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTZZOPIFJGHFCB-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OCC(=O)N2CCCC(N)C2)c(Cl)c1Cl.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMHPDQZPHXNEPZ-UHFFFAOYSA-N", "SMILES:CCc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OC(C)C)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDKCNINBCSUIB-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2NC(C)C)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMZCNRRABVLQGX-UHFFFAOYSA-N", "SMILES:CCc1nc2nc(Nc3ccc4nc(OCCN5CCOCC5)ccc4c3)nc(NC(C)(C)C)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVYNGMIIOFONPX-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2cc(C(=O)O)ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOOMREZKBHNWIX-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2cc(C(N)=O)ccc2OCCN)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJAQTTZYNFWYAR-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2cc(C(N)=O)ccc2OC2CCNC2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNUUIRKLKBWQG-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2cc(C(N)=O)ccc2OC2CCNCC2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJVFMZSQGIVLP-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(O)cc2C(=O)NCc2ccc(C(=O)O)cc2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSDHEUPUYYSZME-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CCNC(=O)c2cc(O)ccc2NC(=O)c2cc(Br)c(Br)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHHGJJKBCXDRMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)c(C(=O)NCc2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXQWLKINIYVQK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(C(=O)NCc2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QARIVUGDUQOTIB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2[nH]c(C)c(Br)c2Br)c(C(=O)NCCc2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCOZXRKUPBXOI-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(=O)NCCN)cc2OC(C)C)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWSQVZVQYSXTC-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(=O)NC3CCNCC3)cc2OC(C)C)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLKWVDUDFZOHCI-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(=O)NCC3CCNCC3)cc2OC(C)C)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQAIMHLPAXBWGC-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(=O)NC3CCCNC3)cc2OC(C)C)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJTDKMIMYTYJLI-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(=O)N3CCCC(N)C3)cc2OC(C)C)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHFBASCUOAOTL-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OCc2cccc(C(=O)NCCC(=O)O)c2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUENRIUBXQJZBP-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OCc2cccc(C(=O)NCC(=O)O)c2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPKWWFFYKRUJPO-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OCc2cccc(C(=O)NCCN)c2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPPKVVJWEDPJBP-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OCc2ccc(C(=O)NCCN)cc2)c(Cl)c1Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGYHUPOPCRWLK-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccccc2OCc2cccc(C(=O)NCCN)c2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXZSWNUNFBRHR-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccccc2OCc2cccc(C(=O)NC3CCCNC3)c2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOJWLDARDHDJOM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccccc2OCc2cccc(C(=O)N3CCCC(N)C3)c2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUFLGKZOUHNHOX-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccccc2OCc2cccc(C(=O)NC3CCNC3)c2)c(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONIXARPSQRLQLS-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccccc2OCc2cccc(C(=O)NCCN)c2)cc1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLKWCDUZQRFLJZ-UHFFFAOYSA-N", "SMILES:Cl.NCCNC(=O)c1cccc(COc2ccccc2NC(=O)c2cc(Cl)c(Cl)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCGHRMKCXOOCFL-UHFFFAOYSA-N", "SMILES:CCc1[nH]c(C(=O)Nc2ccccc2OCc2cccc(C(=O)NCCN)c2)nc1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOZVINOXNXFRTH-UHFFFAOYSA-N", "SMILES:Cl.NCCNC(=O)c1cccc(COc2ccccc2NC(=O)c2cc(Br)c(Br)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHELOYHSXGEZEH-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccccc2OCc2cccc(C(=O)O)c2)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRVMOGDHOAVRQ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2OC(C)C)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOENDXXUMVWGKE-SFHVURJKSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2OC(C)C)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4803128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRJEBDYVJJENF-GFCCVEGCSA-N", "SMILES:COC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKBCZAGVYPSZPA-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(C(=O)Nc2ccc(C(N)=O)cc2OC(C)C)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGAXORJGDIXTBA-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1ccc(OC2CCNCC2)c(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIRKWPVTOXQLRX-UHFFFAOYSA-N", "SMILES:CC(C)(NCC(O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENWILCEQJANHU-UHFFFAOYSA-N", "SMILES:CC(C)(NCC(O)CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIXSYSSHYLETSX-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCC1CC1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMXMISYKZPFOY-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCc1ccccc1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYPYECBUODEXHF-UHFFFAOYSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)NCC(O)CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARIHQJKRKRIBCF-HSTJUUNISA-N", "SMILES:C[C@H](NCC(O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMPIEOCZIKIDZ-QHELBMECSA-N", "SMILES:C[C@H](NCC(O)CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMDHJIXDMSNJC-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCC(O)CNC(=O)C(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASQUMXWOQSHYDY-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCC(O)CNC(=O)CC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBDLPSZZKVJYPT-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNAZQUMHXDGESK-UHFFFAOYSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)NCC(O)CNCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHYAJFLALQIPKQ-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(CNCC(O)CNC(=O)CC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYSLCNCHLZPVES-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(CNCC(O)CNC(=O)C(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHYXNOQJXBMOOA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(CNCC(O)CNC(=O)CC(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNMVSYOKROHOMO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CNCC(O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQBNBDAWQXJFN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CNCC(O)CNC(=O)CC(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHLBBKGSAHUCF-UHFFFAOYSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)NCC(O)CNCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUOOCCYGXAKPCY-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCC1CCCCC1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUOOCCYGXAKPCY-QFIPXVFZSA-N", "SMILES:O=C(NC[C@@H](O)CNCC1CCCCC1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUOOCCYGXAKPCY-JOCHJYFZSA-N", "SMILES:O=C(NC[C@H](O)CNCC1CCCCC1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQFRFDHZZBREO-UHFFFAOYSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)NCC(O)CNCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQFRFDHZZBREO-QHCPKHFHSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H](O)CNCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQFRFDHZZBREO-HSZRJFAPSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)NC[C@H](O)CNCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSTGHDBYWYMNMJ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2c(C(=O)N(C)C)ncnc2n1C1CCN(c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXGMYKZWYTXSDA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(Cl)c(Cl)cc2c1nc(NC(C)C)n2C1CCN(c2ccc(C(C)(C)C#N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAJCQZHPZFGCLE-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2cc(S(C)(=O)=O)ccc2n1C1CCN(c2ccc(C(C)(C)C#N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYFLPAHZXSVYSO-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2ccc(C#N)cc2n1C1CCN(c2ccc(C(C)(C)C#N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJOCBMYZLXHSNR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(Cl)c(Cl)cc2c1nc(NC(C)C)n2C1CCN(c2ccc(C3(C#N)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWBVSIWFXYOPG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(Cl)c(Cl)cc2c1nc(NC(C)C)n2C1CCN(c2ccc(C3(C#N)CCOCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGFOMZHSCTNFU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(Cl)c(Cl)cc2c1nc(NC(C)C)n2C1CCN(c2ccc(S(=O)(=O)N(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROHNUEARWZMWPG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(Cl)c(Cl)cc2c1nc(NC(C)C)n2C1CCN(c2ccc(S(C)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGDKLLUUUBPLF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(Cl)c(Cl)cc2c1nc(NC(C)C)n2C1CCN(c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZJHZYOCFXUGR-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc2cc(S(C)(=O)=O)ccc2n1C1CCN(c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOYZUBWZOWYKY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(Cl)c(Cl)cc2c1nc(NC(C)C)n2C1CCN(c2ccc(C3(C#N)CCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYANAJGHLDRRH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(Cl)c(Cl)cc2c1nc(NC(C)C)n2C1CCN(c2ccc(C3(C#N)CCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMUKRMUWKZAHES-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1c(Cl)c(Cl)cc2c1nc(NC(C)C)n2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1431798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFGOBTIVDQXNOU-UHFFFAOYSA-N", "SMILES:CN=C(S)N=C(Nc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMKXBGVMMKASOY-ISLYRVAYSA-N", "SMILES:c1ccc(-c2n/c(=N\\C3CC3)sn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWLTGFUBKIJBO-HEHNFIMWSA-N", "SMILES:FC1(F)CC(/N=c2\\nc(-c3ccccc3)n(-c3ccccc3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNAQJIAJGRQINU-BMRADRMJSA-N", "SMILES:C/N=c1\\nc(-c2ccccc2)n(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL162755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZJVWZBSQHWMAS-BMRADRMJSA-N", "SMILES:C/N=c1\\nc(-c2ccc(Cl)cc2)n(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL351694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZWLGPAJWWXYQE-WUKNDPDISA-N", "SMILES:C/N=c1\\nc(-c2ccc(OC)cc2)n(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCTXELRRVXUMP-BMRADRMJSA-N", "SMILES:C/N=c1\\nc(-c2ccc(F)cc2)n(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTADIQRMZYZDMU-FBMGVBCBSA-N", "SMILES:C/N=c1\\nc(-c2ccc(OC)cc2)n(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXIOKIMXGLJRNE-CAPFRKAQSA-N", "SMILES:C/N=c1\\nc(-c2ccc(OC)cc2)n(-c2cc(F)c(F)c(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFRQCQMWTYHBSB-HTXNQAPBSA-N", "SMILES:CCOc1ccc(-c2n/c(=N\\C)sn2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFAQPPCUYKHOOH-HTXNQAPBSA-N", "SMILES:C/N=c1\\nc(-c2ccc(OC)c(OC)c2)n(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMOCJCMFWGWIHA-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(Br)cc1)CSC2)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVNKRMPJJSHUOI-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccncc1)CSC2)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFZGCAMFVYIIHV-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1cnccn1)CSC2)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CILHELOYLFBJEF-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFENRCQVPDNGKS-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(Br)cc1)CSC2)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBNDDMRYBAQCO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2ccccc2c1)Nc1c2c(nn1-c1ccc(Br)cc1)CSC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDBXHGFLFXQHHP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(Br)cc1)CSC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTHQDAIXSDIPKO-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(Br)cc1)CSC2)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFMUHZUKHZAZQN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2c3c(nn2-c2ccc(Br)cc2)CSC3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWONCAIXAUYFMU-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(Br)cc1)CSC2)c1cc(F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRJDZTVMROWBPE-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(Br)cc1)CSC2)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGCENQZOBNUEI-FQEVSTJZSA-N", "SMILES:CO[C@](C(=O)Nc1c2c(nn1-c1ccc(Br)cc1)CSC2)(c1ccccc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XECMMVJCMYEGKF-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(Br)cc1)CCC2)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYDNCYXKAGZJV-NRFANRHFSA-N", "SMILES:CO[C@](C(=O)Nc1c2c(nn1-c1ccc(Br)cc1)CCC2)(c1ccccc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQNQAAJEANGLTG-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2c3c(nn2-c2ccc(Br)cc2)CSC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWEAQUYLFMDDFM-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)Nc1ccn(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGPQDHZMFJVDIN-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(OC(F)(F)F)cc1)CSC2)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFEUNGHNGKNFBW-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(C(F)(F)F)cc1)CSC2)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPZHGMBTAVDCID-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)CSC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRFCHWUIITZYIB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)CSC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZIPZYLOBHZTAB-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(F)c(F)c1)CSC2)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYLGENYXVLGKBV-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1cc(F)cc(F)c1)CSC2)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGHXSDHOSASDX-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(F)c(Cl)c1)CSC2)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDIKRDMUQORRR-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)CSC2)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULOVBZOHGKQAN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)CSC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPKJIZPNGZDURU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(N3Cc4cc(OC)c5c(c4-c4c(cc(OC)c6c4OCO6)C3)OCO5)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMAGRGYNUBAGRG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Br)n2-c2ccc(C3CC3)c3ccccc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWZBEQCDYQHUGS-UHFFFAOYSA-N", "SMILES:CCc1cccc2c3c([nH]c12)C(CC)(Cc1n[nH]c(=S)n1C)OCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAWBMJXSHGNBHJ-UHFFFAOYSA-N", "SMILES:CCc1cccc2c3c([nH]c12)C(CC)(Cc1n[nH]c(=S)n1CC)OCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYTYAAPKHOGBL-UHFFFAOYSA-N", "SMILES:CCCn1c(CC2(CC)OCCc3c2[nH]c2c(CC)cccc32)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOHGAZFNVEKGO-UHFFFAOYSA-N", "SMILES:CCCCn1c(CC2(CC)OCCc3c2[nH]c2c(CC)cccc32)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVXKGSLOIFPFP-UHFFFAOYSA-N", "SMILES:C=CCn1c(CC2(CC)OCCc3c2[nH]c2c(CC)cccc32)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWCRISRMWXDIB-UHFFFAOYSA-N", "SMILES:CCc1cccc2c3c([nH]c12)C(CC)(Cc1n[nH]c(=S)n1-c1ccccc1)OCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HERGQXKFQATTPG-UHFFFAOYSA-N", "SMILES:CCc1cccc2c3c([nH]c12)C(CC)(Cc1n[nH]c(=S)n1C1CCCCC1)OCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRDGKCNHYYXEJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(C(C)(C)C#N)c(F)c4)(C4CCCC4)OC3=O)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPYAWZXOAVVWRH-UHFFFAOYSA-N", "SMILES:CCC(C#N)(CC)c1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL516051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQFZBYPJOEIMJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(C(C)(C)O)c(F)c4)(C4CCCC4)OC3=O)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLVAPEZTBDBAPI-UHFFFAOYSA-N", "SMILES:CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL489295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLVAPEZTBDBAPI-LJAQVGFWSA-N", "SMILES:CCc1cc(CC[C@@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5406496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCDSWYDXQITBG-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(C(=O)N3CCOCC3)cc3c(OCCN4CCN(c5ccccc5)CC4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPJCMMNJWEMKM-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCCOc2cccc3c4c(c(C(=O)N5CCOCC5)cc23)CCC(C)(C)O4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWQSOZOTRUQBD-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(C(=O)N3CCOCC3)cc3c(OCCCOc4cccc(C(=O)O)c4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLNAJNYBBUACV-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(C(=O)N3CCOCC3)cc3c(OCCCSc4ccc(N)cc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPYFUQFCTRSPJN-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c(C(=O)N3CCOCC3)cc3c(OCCSc4ccc([N+](=O)[O-])cc4)cccc3c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSQRVJNBMONDDZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nnc(N)nc2-c2c[nH]c3ccc(Br)cc23)c2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHEYQAJKJKOQQN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(N)nnc2-c2c[nH]c3ccc(F)cc23)c2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAKPJFXFBDQBLQ-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2c[nH]c3ncccc23)c(-c2c[nH]c3ccc(Br)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOYPINRCGGPMD-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2c[nH]c3ncccc23)c(-c2c[nH]c3ccc(F)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZQKJWRMSIIMS-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3nc(N)nnc3-c3c[nH]c4ncccc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZVUJPQAZUKDP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nnc(N)nc2-c2c[nH]c3ccccc23)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVJSEPCJWPAGO-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nnc(N)nc2-c2c[nH]c3ccc(Br)cc23)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNKSEYJCWRKGT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nnc(N)nc2-c2c[nH]c3ccc(F)cc23)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZZSXZIKMGRQTC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3nc(N)nnc3-c3cn(C)c4ncccc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIVXUQKFTROLRK-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2c[nH]c3ncc(Br)cc23)c(-c2c[nH]c3ccc(Br)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPXZWKYOPGYHR-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2c[nH]c3ncc(Br)cc23)c(-c2c[nH]c3ccc(F)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFOKUEJEEUBSRM-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3nc(N)nnc3-c3c[nH]c4ncc(Br)cc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMZIYDWAPWYOBY-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nnc(N)nc2-c2c[nH]c3ccccc23)c2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIAONZTXKHOQIG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3nc(N)nnc3-c3cn(C)c4ncc(Br)cc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVGAZVVBODZNG-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2c[nH]c3ccccc23)c(-c2c[nH]c3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZWFGOMPOOHPAQ-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2c[nH]c3ccc(Br)cc23)c(-c2c[nH]c3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYJVOZCEUYEPRN-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2c[nH]c3ccc(F)cc23)c(-c2c[nH]c3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTLWQPCEFPALY-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3nnc(N)nc3-c3c[nH]c4ncccc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBFJGWUVLOLJQO-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(N)nnc2-c2c[nH]c3ccccc23)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANCPXKRXMMRKP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(N)nnc2-c2c[nH]c3ccc(Br)cc23)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKCJSFCFQQPKCW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(N)nnc2-c2c[nH]c3ccc(F)cc23)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQDTKBWGGDOHR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3nnc(N)nc3-c3cn(C)c4ncccc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJBADFJCURCEEI-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2c[nH]c3ccc(Br)cc23)c(-c2c[nH]c3ncc(Br)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFMNRRAADXQII-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2c[nH]c3ccc(F)cc23)c(-c2c[nH]c3ncc(Br)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATARUDCTVQLZGN-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3nnc(N)nc3-c3c[nH]c4ncc(Br)cc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCORRYGCCBLQB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(N)nnc2-c2c[nH]c3ccccc23)c2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATIQFNIOEPIBFT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nnc(N)nc2-c2c[nH]c3ccc(F)cc23)c2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRWQPWDTQAPMD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(N)nnc2-c2c[nH]c3ccc(Br)cc23)c2cc(Br)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLYKHSDGYVKDPV-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(-c3nnc(N)nc3-c3cn(C)c4ncc(Br)cc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNNBDJQWDDDBRU-OAMJFVEXSA-N", "SMILES:CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)N[C@H]1CC[C@H](C(=O)NCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBZPWJIWKVFGY-MLENZQCQSA-N", "SMILES:C=C([C@@H](NC(=O)COCCOCCOCCOCCOc1cc2nccc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C)C(C)(C)C)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFLAELGEBVDJO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMCGMYPGMBJLA-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1411520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIJVKVXDQUCAH-UHFFFAOYSA-N", "SMILES:CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1721183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDPGLIJTDDFHJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(N(C)S(=O)(=O)c2nnc(NC(=O)COc3ccc(C)c(C)c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1357098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFQSKMGRKKELJV-UHFFFAOYSA-N", "SMILES:Cc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1436015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAATWMSNCJQUAW-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cccc(C)c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPGZSURKCCBTGF-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N(N3CCc4ccccc43)N3CCc4ccccc43)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1724598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXPJASIJFFIVEL-UHFFFAOYSA-N", "SMILES:O=c1cc(COc2ccccc2Cl)nc2scc(-c3ccccc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHHGSADNHUZBJ-UHFFFAOYSA-N", "SMILES:O=c1cc(CSCc2ccc(Cl)cc2)nc2scc(-c3ccccc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1611935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNNATCSVCJVBFD-UHFFFAOYSA-N", "SMILES:O=c1cc(COc2ccc(Cl)cc2Cl)nc2scc(-c3ccccc3)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRUORZDHZGAOQX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)OCc1cc(=O)n2c(-c3ccccc3)csc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWWXFTRVVNQMNQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1COc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5428139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQULKWXHUZCFRK-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3Cl)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1397899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYJBRNMAZHVOH-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc3oc(-c4ccccc4)c(C(=O)O)c3c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5423370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMIHGMYUZPAGA-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3cccc(Cl)c3)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5401532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMZHHVVPHOTMV-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(Cl)cc3)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1609852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZIYTYNTNFDSFP-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5435171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSCDYDUDSRVDAO-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5440266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQOWJSXXNJIRGF-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)oc2ccc(OC(=O)COCc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYCADXARDNNMCB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXIYSDJGXPDMGZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYRZXSNWZHIYQX-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBQXWWSOPVDXML-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1OCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1439313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSBOJWUPSZFPAH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1450153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTSGDCNJLBQAM-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1568287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCWTOMXQFQEDN-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5437235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLPTHUAMQXYIH-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1c(C(O)c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQTSLZYEXBADBM-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(O)c3ccccc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMQZFULTNETDE-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c(C(O)c2ccccc2)[nH]c2ccccc12)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKMAOHBEEBJHDW-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1c(C(O)c2ccc(Cl)cc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSXGOXHHLBYQX-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(O)c3ccc(Cl)cc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCCAGAHPZDYNTN-UHFFFAOYSA-N", "SMILES:COC(=O)NCCc1c(C(O)c2ccc(Cl)cc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSWAJAWMUNOFP-UHFFFAOYSA-N", "SMILES:COC(=O)NCCc1c(C(O)c2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEPCOYZPABNSW-UHFFFAOYSA-N", "SMILES:COC(=O)NCCc1c(C(O)c2ccccc2)[nH]c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQIZBNYDRHFXCI-UHFFFAOYSA-N", "SMILES:CN1CC(=O)NC(CCc2c(C(O)c3ccccc3N)[nH]c3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGAOQBGGDUACO-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(O)c3ccc(F)cc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMNVBBLFVIMGE-UHFFFAOYSA-N", "SMILES:COC(=O)NCCc1c(C(O)c2ccc(F)cc2)[nH]c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJUBVYRMQCUNP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)c2[nH]c3ccc(OC)cc3c2CCNC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGAFRAJAIPUTN-UHFFFAOYSA-N", "SMILES:COC(=O)NCCc1c(C(O)c2ccc(OC)cc2)[nH]c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPIDQEJMAVXMGP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)c2[nH]c3ccc(OC)cc3c2CCNC(C)=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVHQGAUTXIWON-UHFFFAOYSA-N", "SMILES:COC(=O)NCCc1c(C(O)c2ccc(OC)cc2F)[nH]c2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IROLANHAOWNLMV-JMSLXWMVSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AALKGMAUAAHNQK-HDJSIYSDSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFHKCLLXEVVWNH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)c1"]}
{"name": "Paired box protein Pax-2", "xref": ["CHEMBL.TARGET:CHEMBL5465301"], "id": "UniProtKB:Q02962", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSFNVZMUYLMDJ-UHFFFAOYSA-N", "SMILES:CCCSc1nc(NCCN)c2nnn(Cc3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFNFLNGJQOHNPR-UHFFFAOYSA-N", "SMILES:c1nn(C2CCOCC2)cc1Nc1ncc2nnn(-c3ccc4cn[nH]c4c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWRLIEALNQTQOC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2nnc3cnc(Nc4cnn(C5CCOCC5)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBPGHGSKMFUDY-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nnc3cnc(Nc4ccc(N)c(C)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSDAEZBBADQNP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2nnc3cnc(Nc4cnn(CC)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFYKBRAEBALYQP-KVTKESBWSA-N", "SMILES:COC(=O)[C@H](CS[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O)NC(=O)CCCC[C@@H]1CCSC(c2ccccc2C)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIVCRRVYLAXYFC-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccccc2[nH]1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJYDYWCKUZUPY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(-c3ccc(Cl)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOUFPRQIPFCXPL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3290570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSKJDQQPOJULCA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncnc(-c3ccc(Cl)cc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL493720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUPHZVTHXGIJI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccc(Cl)cc3)nc(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZCXBPUVVQDLR-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc(Sc2ccc(C3(C(N)=O)CCOCC3)cc2)cc1"]}
{"name": "Cysteinyl leukotriene receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL5645"], "id": "UniProtKB:Q2NNR5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10141"]}
{"id": "CHEMBL.COMPOUND:CHEMBL20403", "category": ["biolink:ChemicalEntity"], "name": "ZD-2138", "xref": ["InChIKey:SLZBEPLWGGRZAY-UHFFFAOYSA-N", "SMILES:COC1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJYDZSFBXLWIR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHDXMUXHKSSHE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)NC(C)c2cccc3ccccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBXWPXHWCMNOS-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=S)NC(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL144830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQYUKZTJBSBFV-UHFFFAOYSA-N", "SMILES:S=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL144604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAUYJJLEWDLTLK-UHFFFAOYSA-N", "SMILES:Oc1ccc(CC/N=C(\\S)Nc2ccc(Br)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBLSUOUYKIONH-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1csc(NC(=S)NC(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKZJJMAMLYCFBU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)ccnc2c1"]}
{"name": "Cdk-related protein kinase 6", "synonym": ["Cyclin-dependent kinase 2 homolog"], "xref": ["CHEMBL.TARGET:CHEMBL3301558"], "id": "UniProtKB:O77239", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWLLIWUJJRRFK-UHFFFAOYSA-N", "SMILES:COc1ccc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTSECQPAFJFLU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1ccc(Oc2ccnc3ccccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVZYQAYJWPTTG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1ccc(Oc2ccncc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPXPJZVFSKYBH-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GURDZIQKYVRRFG-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXRHCNJNUBZCU-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEDWUMJCHQDOEH-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRBIGHXBYOJZLO-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDILWIGAYEEEJ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(N)=O)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAWBVLFFENLWQK-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(C)=O)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXKVVPZWXJZCRJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNBYHHYKKDAHG-UHFFFAOYSA-N", "SMILES:COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQDPFMKXJRHDAT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1ccc(Oc2ccnc3cc4c(cc23)OCO4)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLQJLATNXBMJX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1ccc(Oc2ccnc3cc4c(cc23)OCCO4)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTRASEBVSIPWDM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDFMDVEERLALL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1ccc(Oc2ccnc3ccsc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNOVOUJGFROFZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1ccc(Oc2ccnc3sccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGIUIWDSIZEGBV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1ccc(Oc2ccnc3[nH]ccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL102191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQOBRLFNSGKIFO-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3cccc(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJGEDUGFYTGEB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1F)Nc1ccc(Oc2ncnc3ccsc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWWFBIVSCKLOB-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(N(C)c4ccnc(Nc5ccc(CS(C)(=O)=O)cc5)n4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPHVSOHDAESMT-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3cc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)ccc3C)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBNUDYFSJIGEFM-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZFSKGXQLYDSU-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGDIGKJTJUVFDO-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CN5CCN(C)CC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBPZFBWTPOUCV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(CN5CCN(C)CC5)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXUAGELGZPIEHD-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTJZSDXWXADES-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(C(=O)N5CCN(C)CC5)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGCTHDBKJZLGN-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTWKCZDCNTHQU-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(CN5CCN(C)CC5)cc(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAAZKODADIUUOZ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)c(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOHPPCBCAACCED-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(=O)N5CCN(C)CC5)cc(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYCSGLHFBLJDJ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVMXGDDTUNKALM-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZRJXMDYPYZBV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(C)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTSGIXHJDLQUGD-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(C(C)C)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIHBLSMEKMOWQR-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(C(C)(C)C)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPPAPLORDXOPH-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWSMKKIKJSTKAS-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(OC(C)C)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEOMAHYDHFLUII-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(OC(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCLDLGHQNMWHIV-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(OC(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUXHEJVXWZTRO-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(C#N)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVJSLMWZFSUEF-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(N5CCN(C)CC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEAZQWASILFYRR-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CN5CCOCC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBLEOHUBDQKCA-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CN5CCCCC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAWLBODBDQBOQ-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CN5CCCC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZSGHEGRMWHCLM-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAULLHYPGYZEI-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(OC5CCN(C)CC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQOAPLDBENETKL-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(NC5CCN(C)CC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDDQFSTYMJIJAH-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(N(C)C5CCN(C)CC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZFHWYFBSYWFI-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CC5CCNCC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGWCABLFXBDMY-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(C=C5CCNCC5)cc4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUPOIDRCDBIMA-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CN5CCCCC5)c(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNAKJPYQYVTTII-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CN5CCCCC5)c(OC(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYQXKLIBCVBVLL-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CN5CCCC5)c(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTVZRVMDXDGOQD-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CN5CCCC5)c(OC(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXNTAYQWOMAPA-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAMEIMCFSHBCW-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2F)cc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFSKUYYTFCNGJX-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(OC5CCN(C)CC5)c(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAYTPLONQKGFN-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(OC5CCN(C)CC5)c(OC(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLQHBEVJUBJAHE-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(N(C)C5CCN(C)CC5)c(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLBIJBOZLRFDGL-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(N(C)C5CCN(C)CC5)c(OC(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFAKDEOPEYRGJC-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CC5CCNCC5)c(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAGRAPGLHXKXDG-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(CC5CCNCC5)c(OC(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVBJIULIEXQGLM-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(C=C5CCNCC5)c(C(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRZMOQZZXNADLI-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(C=C5CCNCC5)c(OC(F)(F)F)c4)c(F)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCOUOQCUILHQF-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(-c2cccc(N)c2)c2c1C(=O)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGJREYHVQYZTEV-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(-c2cc(N)ccc2Cl)c2c1C(=O)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOEMPBAQUPZDDO-UHFFFAOYSA-N", "SMILES:CCCc1[nH]c(-c2cc(N)ccc2Cl)c2c1C(=O)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBMWMXLKRQTPOA-UHFFFAOYSA-N", "SMILES:CCCCc1[nH]c(-c2cc(N)ccc2Cl)c2c1C(=O)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYNJKNKJJNWOW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1[nH]c(C)c(C(C)=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSIZQWKXCFLTNI-UHFFFAOYSA-N", "SMILES:O=C(CN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REUYZHBJLQJBPI-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJMMVCDNQVLRC-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKVLEHDMCCBAK-UHFFFAOYSA-N", "SMILES:O=C(CCCCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNUPHALGZZRMN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOHWYDNGSANEB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNAPLANBFMKGPT-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTCWUCDYSHIDLV-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCBULXTGJKMRG-UHFFFAOYSA-N", "SMILES:O=C(CCCCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWCUUGNKJXOEI-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITQRBJVRKGNGT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVAXPDILHNIAQE-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTXMSHSTABRIHN-UHFFFAOYSA-N", "SMILES:O=C(CCNC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVZKVWSXFGSMI-UHFFFAOYSA-N", "SMILES:O=C(CCCNC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXLYSARCRVYHHG-UHFFFAOYSA-N", "SMILES:O=C(CCCCNC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNMJTFFJOAZQN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGTCVHPGPOKCDA-UHFFFAOYSA-N", "SMILES:O=C(CCNC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVCJLLNSGIKLN-UHFFFAOYSA-N", "SMILES:O=C(CCCNC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQHAWZZNBNZYOX-UHFFFAOYSA-N", "SMILES:O=C(CCCCNC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGRUAKCCWAJEW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZNVRBXTGCNQE-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPWMICESCJZKG-UHFFFAOYSA-N", "SMILES:O=C(CCNC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBFFOAZECTZLD-UHFFFAOYSA-N", "SMILES:O=C(CCCNC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEGNICBVZLQBML-UHFFFAOYSA-N", "SMILES:O=C(CCCCNC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTTJVNDMLSFXDU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMHUURDTAWQEKB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLPGUAAWGLNIW-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c(NC(=O)c2ccc(NC(=O)c3n[nH]cc3NC(=O)c3c(Cl)cccc3Cl)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUYUIWDQPGTZOT-UHFFFAOYSA-N", "SMILES:Nc1cc(Br)c(Br)cc1NC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQGJGPMLKPSVJO-UHFFFAOYSA-N", "SMILES:Nc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STTJEDUFHXVXSW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIIQDFFRAVRMA-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c(NC(=O)c2ccc(NC(=O)c3n[nH]cc3NC(=O)c3c(F)cccc3F)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNTNRQGRHMTDKJ-UHFFFAOYSA-N", "SMILES:Nc1cc(Br)c(Br)cc1NC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYUSCRHUOFCGO-UHFFFAOYSA-N", "SMILES:Nc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAZJKMBKQRTWRN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHAHWGKVYJBRU-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCc3ccccc3)C2)CN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOORBZWHARDCGX-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCCc3ccccc3)C2)CN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBADHXHXHDBKY-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCN2CC3(CC(=O)N(c4ccccc4)C3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBUKATJHVDJBLO-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCc3cccc(F)c3)C2)CN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJNQCQXCAJGJI-UHFFFAOYSA-N", "SMILES:CC(Cc1ccccc1)N1CC2(CC(=O)N(c3ccccc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSWMIXUWEMKLOD-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCc3ccc4ccccc4c3)C2)CN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKNEXMAJZTUJG-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCC3CCCCC3)C2)CN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWGENNKZCHCOL-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCN2CC3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQECTQRNJVZZQP-UHFFFAOYSA-N", "SMILES:CC(Cc1ccccc1)N1CC2(CC(=O)N(c3ccc(F)cc3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZVLSMBNYBDEN-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCC3CCCCC3)C2)CN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZMUFHSIIXYKP-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CC3(CC2=O)CN(CCCc2ccccc2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBFVPKKKWUQRHY-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CC3(CC2=O)CN(CCCc2ccccc2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXCIZLDFBROOMR-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCCc3ccccc3)C2)CN1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKBCKKEIJBWMP-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCCc3ccccc3)C2)CN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFHXREXKEYVUHS-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCCc3ccccc3F)C2)CN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXRTWABQKEBAK-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCCc3cccc(F)c3)C2)CN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRANIADWTWTXLV-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(CCCc3ccc(F)cc3)C2)CN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQXMVJGMWUKGJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCCN2CC3(CC(=O)N(c4ccccc4)C3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKKADYYRPDJSD-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCCN2CC3(CC(=O)N(c4ccccc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAFBSHBIWSISE-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(Cc3ccccc3)C2)CN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUOSEWVQVFRHX-UHFFFAOYSA-N", "SMILES:CN1CC2(CC1=O)CN(CCCc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFWJLVZAJLLOTF-XJKSGUPXSA-N", "SMILES:O=C(O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNUZFHXHKNFPKP-GHTZIAJQSA-N", "SMILES:O=C(c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1)N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUKPUWYVVAZLZ-GHTZIAJQSA-N", "SMILES:CN1CCN(C(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFNFQVXWAHAIFG-GHTZIAJQSA-N", "SMILES:NC1CCN(C(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYYMVJWISHQAT-SIKLNZKXSA-N", "SMILES:NCC1CCN(C(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQPOWDGNPXPOW-GHTZIAJQSA-N", "SMILES:NC(=O)C1CCN(C(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSBAPUYCFBXSN-SIKLNZKXSA-N", "SMILES:O=C(NCC1CCNCC1)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNYUNMXHVFBERE-AUDFTCOISA-N", "SMILES:O=C(c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1)N1CC2CCCCC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCTUOTULFCNKM-QFBILLFUSA-N", "SMILES:O=C(NC1CC(F)(F)C1)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXAZUTVRPYLBMY-QFBILLFUSA-N", "SMILES:COCCNC(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSANOHSQZCHGM-FXAWDEMLSA-N", "SMILES:CCCCNC(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXPCWXGUMDCTQE-WMLDXEAASA-N", "SMILES:NC(=O)CNC(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDDXMHNKRQLMV-NZQKXSOJSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXYMBPQVSWVPDF-NZQKXSOJSA-N", "SMILES:COC(=O)c1cccc(NC(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRLPQDLOEBKKPT-SIKLNZKXSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNRFSUIJTVQPA-XUZZJYLKSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSKKFBAHUKLPPL-NZQKXSOJSA-N", "SMILES:O=C(c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVSNSLEVYUIBR-RPLLCQBOSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)c3cccc(CN[C@@H]4C[C@H]4c4ccc(F)c(F)c4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTYQPGRBNBBRL-LBNVMWSVSA-N", "SMILES:CCN1CCN(c2ccc(NC(=O)c3cccc(CN[C@@H]4C[C@H]4c4ccc(F)c(F)c4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSHWCMVAPVXGLB-SQJMNOBHSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWBAGCMYXKHRPJ-JYFHCDHNSA-N", "SMILES:O=C(c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNHOPWFOAWAAJS-HFZDXXHNSA-N", "SMILES:O=C(c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWRRUGVQUXSISY-JYFHCDHNSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSJPNIFFPNLNJ-RPLLCQBOSA-N", "SMILES:CN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cccc(CN[C@@H]4C[C@H]4c4ccc(F)c(F)c4)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJLFNJCRBRHSS-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnc3[nH]ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFEDLSQFRLDNIT-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSOVURCGGEXSF-UHFFFAOYSA-N", "SMILES:Clc1c[nH]c2ncc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGZDKYYBWAXCZ-UHFFFAOYSA-N", "SMILES:Brc1c[nH]c2ncc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIOAVMZPLUJALD-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYKIDFQLVDMIO-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnc3[nH]cc(-c4cccs4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZOZXPZUEFPDFB-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnc3[nH]cc(-c4ccsc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMHSNSPKSCVOQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUKCZVIOGNHTRW-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXXULVZEJPTEIV-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFRGVDHHNMEHX-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLNSVZCULUPDDK-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXNCLBWOSVVYMZ-UHFFFAOYSA-N", "SMILES:O=C(CO)Nc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCYQEBQTIGNHO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2cnc3[nH]ccc3c2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYUACOHYJDMND-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2cnc3[nH]ccc3c2)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKCOFMVBVDURQ-UHFFFAOYSA-N", "SMILES:OCc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXOXZYQBPBOMSW-UHFFFAOYSA-N", "SMILES:OCCc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKLPUURJCLBKS-UHFFFAOYSA-N", "SMILES:CC(O)c1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPXOPXVWUJGMNM-UHFFFAOYSA-N", "SMILES:NCc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2000568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRBJCMLWLFMIN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKTZZYGFQDEST-UHFFFAOYSA-N", "SMILES:O=Cc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAJMNITAQGSCS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFLKZEGGKDOOTE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFOYHHZIKADIK-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFPOCYKRWPTSV-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCGVPOLUNEJDP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNOXAQGDBLICQV-UHFFFAOYSA-N", "SMILES:COCC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTHIEWSUULFSE-UHFFFAOYSA-N", "SMILES:CC(=O)OCC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487392", "category": ["biolink:ChemicalEntity"], "name": "KORUPENSAMINE A", "xref": ["InChIKey:JOXWHCNNDTWJPX-CHWSQXEVSA-N", "SMILES:COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@@H]4C)ccc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5393778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKLWZCJOVVYTDI-FDFHNCONSA-N", "SMILES:N=C(N)NCCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFMVDMFGZXZDGS-RJGXRXQPSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQAKSNVIWNFBI-FDFHNCONSA-N", "SMILES:N=C(N)NCCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZQQZEOHRGNFHG-FDFHNCONSA-N", "SMILES:N=C(N)NCCC[C@H](NS(=O)(=O)C1CCCCC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHYCOHWWNQZACG-KMDXXIMOSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZALPHLHPWKJTN-RJGXRXQPSA-N", "SMILES:CN([C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTMFDSMGDISKX-RJGXRXQPSA-N", "SMILES:CN([C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTMFDSMGDISKX-VABKMULXSA-N", "SMILES:CN([C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c1ccccc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRCPKVCUBZNZRY-KKUQBAQOSA-N", "SMILES:N=C(N)Nc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYRJLIMGRWJJU-GMQQYTKMSA-N", "SMILES:CN([C@@H](Cc1ccc(NC(=N)N)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILRTFMFYHBQKH-HZFUHODCSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)[C@@H](Cc2ccc(NC(=N)N)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFTDUCPXUKBFID-GMQQYTKMSA-N", "SMILES:CN([C@@H](Cc1cccc(NC(=N)N)c1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDZIFVANFHCDE-KKUQBAQOSA-N", "SMILES:CC[C@H](NC(=O)[C@H](Cc1cccc(NC(=N)N)c1)N(C)S(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXQBTBXOPQXKV-GMQQYTKMSA-N", "SMILES:CN([C@@H](Cc1ccc(/C(N)=N/O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBXRELUSGULZTA-GMQQYTKMSA-N", "SMILES:CN([C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URNMULGWTSNHGO-GMQQYTKMSA-N", "SMILES:CN([C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(O)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPRZZQIINVCWIK-DHWXLLNHSA-N", "SMILES:CN([C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPRZZQIINVCWIK-AFEGWXKPSA-N", "SMILES:CN([C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPXULWJJLFSHG-DHWXLLNHSA-N", "SMILES:CN([C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYEZJBVYRZIZOQ-DHWXLLNHSA-N", "SMILES:CN([C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAFIQDSDKILBAO-KRWDZBQOSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1c[nH]nn1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJFLKMREHPPIRZ-SFHVURJKSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1cn(C)nn1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQOHYQKCKHFIMI-IBGZPJMESA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1cn(C)cn1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGNILOZPZGAEOE-NRFANRHFSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1ccccc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBKJPAGKXDFFCG-SFHVURJKSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1ccon1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLRZZASCPTRLU-KRWDZBQOSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1ncco1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCGVFJQTWYBUCE-XJDOXCRVSA-N", "SMILES:COC(=O)C(Cc1c[nH]cn1)NC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSNRFQUNLCFPX-FQEVSTJZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1ccccn1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSYLTXUNMXZHLY-HNNXBMFYSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCC(=O)O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGCJTKEQJWTOY-INIZCTEOSA-N", "SMILES:COC(=O)CNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHJBCEVAMQVGRX-INIZCTEOSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCO)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJELUAWXBXCFLU-INIZCTEOSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1nccs1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALALEIOMSWRNDF-DEOSSOPVSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCc1c[nH]c3ccccc13)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQYYKHQHMDBFK-HNNXBMFYSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1nncs1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIIOFHFUYBLOLW-ZRZAMGCNSA-N", "SMILES:COc1ccc(CN2[C@@H]3C[C@H]2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLBJPZSROAGMF-BATDWUPUSA-N", "SMILES:CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMYILHMNVPFGPN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3n[nH]c(-c4ccc(OCCN5CCOCC5)cc4Cl)n3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMULIDZBSWUPBH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3c[nH]c(-c4ccc(OCCN5CCOCC5)cc4Cl)n3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKZKIDIWLLZDI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCN5CCOCC5)cc4Cl)[nH]n3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGMNMUJNUKADP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCN5CCOCC5)cc4Br)[nH]n3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAISKELUUOXOPQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCN5CCOCC5)cc4F)[nH]n3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASAOBTRECDBBIA-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCN2CCOCC2)ccc1-c1cc(-c2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKEOXCUELRSBSF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)[nH]n3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHIXFGWRKMSQQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCN5CCOCC5)c(F)c4)[nH]n3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDMAUVMRUOGGPF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)n[nH]2)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYYJGNNQKMWKNN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)cc3)n[nH]2)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSVJBCKLXDHEJV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCN5CCOCC5)cc4)[nH]n3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGTWUGUDPNRGC-UHFFFAOYSA-N", "SMILES:CC(C)(c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCN5CCOCC5)cc4)[nH]n3)cc2)no1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZNGVLSPFNBMMG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCN5CCOCC5)cc4)[nH]n3)c(Cl)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFQYZJYFDHALBK-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)on2)ccc1-c1cc(-c2ccc(OCCN3CCOCC3)cc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUMUTZDLJCPDE-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Nc2cc(C(C)(C)C)on2)ccc1-c1cc(-c2ccc(OCCN3CCOCC3)cc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKOVMELGDKOBPM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCN5CCOCC5)cc4)[nH]n3)cc2Cl)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJQROGNJVAOBS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCN5CCOCC5)cc4)[nH]n3)cc2F)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCCZIHGHKUKAA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)c(F)c3)n[nH]2)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMWLBCXYJKDWLH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c(F)c3)n[nH]2)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIHDTZTRFUSCO-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(-c2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEPLIQZBYEVIC-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZSUOCZXERNHEA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4ccc(OCCCN5CCOCC5)cc4)[nH]n3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWIQJPNGWXCURQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(-c4cccc(OCCN5CCOCC5)c4)[nH]n3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBXSGZPTDGPNPZ-XWLWVQCSSA-N", "SMILES:CC1(C)OC[C@H]2O[C@H](C[C@H](O)CO)C=C[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWHIOPUTSCFRU-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)cc2c2cccc(OC(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEKDFFFPEMKESY-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(OC3COC3)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBXWREKHWGXWAV-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CC3COC3)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATOIOYVURMTRSQ-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(OC(C)C)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCNOALNKTCXIAF-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)cc2c2c(OC(C)C)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSHUACNYOZFKC-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)cc2c2ccc(OC(C)C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWRIAGPHTVDVJI-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(OC3CCC3)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTLBXGYBAYLDS-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(OCC(C)C)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDPTZUDOXMGLV-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(OC(C)C(F)(F)F)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTFDEYDPBOFOIE-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CC(C)C)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYUTJCELLISPG-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CC(C)(C)F)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUKCAXLVKPRBFB-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CN(C)C)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPCQRAVDQJKGFQ-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CC3CCC3)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYJFESXLMBWLLG-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(OC3CC3)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMOWZQDVLTTLB-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CC3CC3)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMMKCMGIVRXBLQ-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(OC(C)C)cc2c2cc(C(=O)NC(CO)c3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHXWFDCDNXQLM-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(OC(C)C)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJFHCUGGSJJILP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2cc(OC(C)C)ccc2n3CCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRSAGOFNSIMOHU-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(OC(C)C)cc2c2cc(C(=O)NCc3ccc(S(C)(=O)=O)cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONYHMNYWUUUKY-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(OC(C)C)cc2c2cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHGVCVUBYEGQH-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CC3CC3)cc2c2cc(C(=O)NC(COC)c3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQNCCNBBSDCYHR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2cc(CC4CC4)ccc2n3CCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETORQKTQLDNGF-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CC3CC3)cc2c2cc(C(=O)NC(CO)c3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZQFLEUPRCCGEF-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CC3CC3)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORTWAQOXLHHQE-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CC3CC3)cc2c2cc(C(=O)NCc3ccc(S(C)(=O)=O)cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESSISHPHYETSL-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CC3CC3)cc2c2cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSQCNUYJJNLIBA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(C(COC)NC(=O)c2ccc3c(c2)c2cc(CC4CC4)ccc2n3CCF)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHGVCVUBYEGQH-HHHXNRCGSA-N", "SMILES:CCn1c2ccc(CC3CC3)cc2c2cc(C(=O)N[C@H](COC)c3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHGVCVUBYEGQH-MHZLTWQESA-N", "SMILES:CCn1c2ccc(CC3CC3)cc2c2cc(C(=O)N[C@@H](COC)c3ccc(S(=O)(=O)CC)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDTNJAYLSJACEQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL289352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJBUPXVQDLXRF-UHFFFAOYSA-N", "SMILES:Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL49436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVQBBHYPGFSMX-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAQRYVSECLFXIK-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3ccc4c(c3)OCCO4)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCIXVHZWEFYBEN-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(Nc3c4ccccc4nc4ccccc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNPXFGGGBXAKMD-UHFFFAOYSA-N", "SMILES:CCn1c2ccccc2c2ccc(Nc3c4ccccc4nc4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNVMESJFCJCCS-UHFFFAOYSA-N", "SMILES:c1ccc2c(NN3CCCCC3)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQCMXEANQIMOOR-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1964647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYBPGFSVVDVWIC-UHFFFAOYSA-N", "SMILES:Nc1ccc(Sc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL433078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUGCEXLSBLNFU-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1c2ccccc2nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFWKOXVMZSFHO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL52101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQQZGKVRDOCMAW-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJTZMFAJWJPLM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPNSQOZBBMXAY-UHFFFAOYSA-N", "SMILES:CSc1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHKKYSYOUUOFF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL322748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGIGZIBMXZQUSF-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHBKDAUSAHOUAN-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3ccc(N4CCOCC4)cc3)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGKNIQFQFIXHMJ-UHFFFAOYSA-N", "SMILES:O=C1COCCN1c1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL217366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVBGWMAORETGV-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJQWJHXJHKKTTD-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(c3ccc(Nc4c5ccccc5nc5ccccc45)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVMTVYEKUNIRK-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3ccc(Nc4c5ccccc5nc5ccccc45)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGAKJYZPKABHT-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWZPPXUMATSFZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3ccccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPHCJUMNUXHMAC-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2nc3ccccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSMCLVEHHIPFJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSYUKJERGRBBZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Nc3ccc(N4CCN(C)CC4)cc3)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUPSFCOOLCORC-UHFFFAOYSA-N", "SMILES:COc1cccc2c(Nc3ccc(N4CCN(C)CC4)cc3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEWOHKFPAVVDEJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3c4ccccc4nc4c(N(C)C)cccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTKEJCWAJLRET-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3ccccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWYYZBLRCYXKI-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(C)c(C)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513172", "category": ["biolink:ChemicalEntity"], "name": "1-METHYLTRYPTOPHAN", "xref": ["InChIKey:ZADWXFSZEAPBJS-UHFFFAOYSA-N", "SMILES:Cn1cc(CC(N)C(=O)O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL362071", "category": ["biolink:ChemicalEntity"], "name": "COPTISINE", "xref": ["InChIKey:XYHOBCMEDLZUMP-UHFFFAOYSA-N", "SMILES:c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5395137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWRZFWVFADPQX-BOPFTXTBSA-N", "SMILES:O=C1NC(=O)/C(=C/c2cccc(C3=C4CCC(=O)N5CCC(C=C3)C45)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLNPBBSGBIACRH-JTQLQIEISA-N", "SMILES:CCS(=O)(=O)c1ccc(C(=O)C[C@H](N)C(=O)O)cc1"]}
{"name": "Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL2662"], "id": "UniProtKB:Q64602", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYKVEESSMOYIFU-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cc1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLPBLOZTCZMBE-QGZVFWFLSA-N", "SMILES:Cn1c(CN2CCOCC2)nc2sc([C@H]3CCCN3C(=O)OCc3ccccc3)nc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2040644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRCVKLRAOSZCP-UHFFFAOYSA-N", "SMILES:NC(CC(=O)c1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5430817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBRKMOHDGFGXLN-RNFRBKRXSA-N", "SMILES:O=C(O)[C@@H]1C[C@H]1C(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIGAKMWKMLYGJX-UHFFFAOYSA-N", "SMILES:O=C(O)CCn1c(=O)oc2cc(Cl)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRZBDDRJPBFILI-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2c1c(C(=O)O)nc1cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVXFRLISNAOUOU-UZYVYHOESA-N", "SMILES:Cn1nc(/C(O)=C(\\C#N)C(=O)Nc2ccccc2)c2ccc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGTVZBSWTKWYQF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(Cc2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL120534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPLEPDDBNLZPX-UHFFFAOYSA-N", "SMILES:NC(CC(O)c1cccc(O)c1)C(=O)O"]}
{"name": "Kynureninase", "xref": ["CHEMBL.TARGET:CHEMBL5100"], "id": "UniProtKB:Q16719", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNZHKTCDMUAHGC-NTDWFJSYSA-N", "SMILES:Nc1nc(-c2cccnc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F"]}
{"name": "CD99 antigen", "xref": ["CHEMBL.TARGET:CHEMBL5465269"], "id": "UniProtKB:P14209", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBYNIDRHBNGHN-FQKKHWMFSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(C(=O)O)C(=O)O)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFWQYIIRNXCEQ-MDZDMXLPSA-N", "SMILES:COc1cccc(/C=C/C(=O)c2ccccc2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL126804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPJTMCJNPRZGF-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)c1ccccc1O"], "synonym": ["PH-011685"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1963387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVXUADKPAJQBF-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKBILMWSVPPRAT-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5433019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELUQTHNKWKTQN-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1OC(F)(F)F)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRLPKTSEZCLKPN-FMIVXFBMSA-N", "SMILES:CN(C)C(=O)Oc1ccccc1C(=O)/C=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGWXKYMXEBSYDQ-JLHYYAGUSA-N", "SMILES:CCN(C)C(=O)Oc1ccccc1C(=O)/C=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEXQCJFMMRCIJK-SDNWHVSQSA-N", "SMILES:CCN(CC)C(=O)Oc1ccccc1C(=O)/C=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQDVUSKXDCWIE-YRNVUSSQSA-N", "SMILES:COc1ccc2cc(/C=C/C(=O)c3ccccc3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNTIPKTZVAKPOX-ZHACJKMWSA-N", "SMILES:COc1ccccc1/C=C/C(=O)c1ccccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2375419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTLIGLJKORYDHV-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1ccccc1F)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYLQZCAJRJHCZ-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1c(F)cccc1Br)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZDALSACOQAYFY-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1c(Br)cccc1Br)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPYNQLALOAWLJW-SOFGYWHQSA-N", "SMILES:COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMGFPHMYFAGZIV-VAWYXSNFSA-N", "SMILES:O=C(/C=C/c1ccc2ccccc2c1Br)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHHAVODXDNYWKP-BUHFOSPRSA-N", "SMILES:O=C(/C=C/c1cc2ccccc2c2ccccc12)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRISLRFARDPOP-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1OCc1cccc(NC(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGPONYCLGMRIN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1OCc1cccc(NC(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIGUMPDQVWUGH-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1NCc1cccc(NC(=O)Nc2cccc(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKRLOQKVHUWNFB-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1OCc1cccc(NC(=O)Nc2cccc(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVNKTFLGWUQLP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(N2C(=O)N(C3CC3)C(=O)C3=C(Nc4ccc(I)cc4F)N(C)C(=O)C(C)C32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYPRGEBHUVMSHA-KWCYVKPSSA-N", "SMILES:COc1cc(CO/C(=N\\OC[C@H](O)CO)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)c([N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHGONBICPNYMQ-OAHLLOKOSA-N", "SMILES:COc1cc(CN(c2ccc(I)cc2F)c2c(C(=O)NOC[C@H](O)CO)ccc(F)c2F)c([N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZRWMPHIQLUAY-UHFFFAOYSA-N", "SMILES:COc1cc(COCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)c([N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODTXSLZYGEQGD-MRXNPFEDSA-N", "SMILES:COc1ccc(CN(c2ccc(I)cc2F)c2c(C(=O)NOC[C@H](O)CO)ccc(F)c2F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPYQODLOYFREY-WZSXIRARSA-N", "SMILES:O=[N+]([O-])c1cc2c(cc1CO/C(=N\\OC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDVSTUBQMAZFGC-BHAFUUATSA-N", "SMILES:CC(O/C(=N\\OC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)c1cc2c(cc1[N+](=O)[O-])OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJQELPGIZZXOD-QGUSRCGDSA-N", "SMILES:COc1cc(C(C)O/C(=N\\OC[C@H](O)CO)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)c([N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAYXLCLBDVEYAL-SFHVURJKSA-N", "SMILES:Cc1ccc([C@H](NC2=NS(=O)(=O)N=C2Nc2ccc(C)c(C(=O)N(C)C)c2O)C(C)(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOIXIVNPHLJHFY-ZETCQYMHSA-N", "SMILES:C[C@@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLMDTQXEUNLFPZ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBFFDMMVCJCHOQ-UHFFFAOYSA-N", "SMILES:OCCNc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCHTHFWOHLCQP-SECBINFHSA-N", "SMILES:CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGGSBIRHQIPEO-MRVPVSSYSA-N", "SMILES:C[C@H](CCO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPEDHLRODLJLBJ-UHFFFAOYSA-N", "SMILES:OCCCNc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDWSTIIQZUYIT-UHFFFAOYSA-N", "SMILES:COCCNc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGVGOFDNGXOKB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2nc(SCc3cccc(F)c3F)nc3[nH]nnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTLJYQIGWTLHY-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYXYWSBLKVGAQ-UHFFFAOYSA-N", "SMILES:Fc1cccc(CSc2nc(NC3CC3)c3nn[nH]c3n2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGARMTVZEDUHQD-UHFFFAOYSA-N", "SMILES:Fc1cccc(CSc2nc(NCC3CC3)c3nn[nH]c3n2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBWDSVPTPULQG-UHFFFAOYSA-N", "SMILES:OCCSc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGGCQBEZMBHMX-UHFFFAOYSA-N", "SMILES:OCCCSc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVKQTONZIDNKTM-SSDOTTSWSA-N", "SMILES:C[C@H](CO)Nc1nc(OCc2cccc(F)c2F)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZBOASQNMVHCTJ-SSDOTTSWSA-N", "SMILES:CCCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDVHQDYEMIXNJA-SECBINFHSA-N", "SMILES:CCCCCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZFPOSADGNGYJG-SNVBAGLBSA-N", "SMILES:CC(C)CCCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYBJTQUCEZHOQV-YGPZHTELSA-N", "SMILES:CCCC(C)CSc1nc(N[C@H](C)CO)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJXLTCZFNFAIB-SSDOTTSWSA-N", "SMILES:C[C@H](CO)Nc1nc(SCC2CCC2)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKAYPOFGGVEFR-MRVPVSSYSA-N", "SMILES:C[C@H](CO)Nc1nc(SCC2CCCC2)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUCVRALXFPCJC-SECBINFHSA-N", "SMILES:C[C@H](CO)Nc1nc(SCC2CCCCC2)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTMQTAADNQBXGI-SNVBAGLBSA-N", "SMILES:C[C@H](CO)Nc1nc(SCCC2CCCCC2)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGKMZYZVFIXMB-SNVBAGLBSA-N", "SMILES:C[C@H](CO)Nc1nc(SCCc2ccccc2)nc2[nH]nnc12"]}
{"name": "C-C chemokine receptor type 7", "xref": ["CHEMBL.TARGET:CHEMBL4594"], "id": "UniProtKB:P32248", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTODHLSRSNXTGC-MRVPVSSYSA-N", "SMILES:C[C@H](CO)Nc1nc(SC2CCCCC2)nc2[nH]nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHUCGUYREMJQBB-MRVPVSSYSA-N", "SMILES:CCCOCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPMTRAKLHWCET-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCc4cn(-c5ccc(C)c(C)c5)nn4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUOYGHWEKDQROA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCc4cn(-c5ccccc5)nn4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHOLAXXRRHAAFM-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2c(C(=O)NCc3cn(Cc4ccccc4)nn3)cc(-c3ccc4ccccc4c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCLPMHKNXKAVCR-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(Cc2ccccc2)nn1)c1cc(-c2ccc3ccccc3c2)nc2c1cnn2-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWHRVGJOHWSJAS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCc4cn(Cc5ccccc5)nn4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXBLIKQCDJREQW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCc4cn(-c5ccc(I)cc5)nn4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDENDBKQMXVLDA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCc4cn(-c5cccc(Br)c5)nn4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKZTDXCKXQEFA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCc4cn(-c5cccc(F)c5)nn4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUVLXVGYUBUABP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCc4cn(Cc5ccc(C(F)(F)F)cc5)nn4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHRQNPCIZAENCK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCc4cn(Cc5ccc(C#N)cc5)nn4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUXAMPHUCMUBJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCCN4CCN(C)CC4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGSWYPARUDIKEK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCCN(C)C)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIRUPDIEKYSHJD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCCN4CCCC4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDUHAOCJMOYQLA-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)c2cc(-c3ccccc3)nc3c2cnn3-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYZBSYGRYDIQEG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCCN4CCN(C)CC4)cc(-c4ccccc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKHIOTVCAIDZKK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1ncc2c(C(=O)NCCN3CCN(C)CC3)cc(-c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYVPXWQCGKYBZ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-n2ncc3c(C(=O)NCCN4CCN(C)CC4)cc(-c4ccccc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXAIWEBDKOPQIJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCCN4CCN(C)CC4)cc(-c4ccccc4)nc32)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBHLKWNIOVAGAX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)c3cnn(-c4ccccc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONAFUILWWALLGA-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)c3cnn(-c4ccccc4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWPTKQXBZOHLU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)c2cnn(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIONFHJEMMKRFZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)c3cnn(-c4ccccc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKIPSOAUPGZLB-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)c3cnn(-c4ccccc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMRWLANLINNIFR-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)c3cnn(-c4ccccc4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWPZTUQBCWFTE-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)c2cc(-c3ccc4ccccc4c3)nc3c2cnn3-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJQFHHOHOPCBP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2ncc3c(C(=O)NCCN4CCN(C)CC4)cc(-c4ccc5ccccc5c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBZBYWUUNDANJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1ncc2c(C(=O)NCCN3CCN(C)CC3)cc(-c3ccc4ccccc4c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBBVBHJCLKTLTJ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-n2ncc3c(C(=O)NCCN4CCN(C)CC4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCMFIYQMHDLOBI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCCN4CCN(C)CC4)cc(-c4ccc5ccccc5c4)nc32)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCALWAUTQPOKDF-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2c(C(=O)NCc3cn(Cc4ccccc4)nn3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAIMAVZEBSFJAZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ncc3c(C(=O)NCCN4CCCCC4)cc(-c4ccc5ccccc5c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQPUPBNASAOOIR-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)c2cc(-c3ccccc3)nc3c2cnn3-c2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQUSFNCCWKCJQQ-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)c2cc(-c3ccccc3)nc3c2cnn3-c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQNKOTDPWXUKPF-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)c2cc(-c3ccc(Cl)cc3)nc3c2cnn3-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCEOVUUODNNCHH-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)c2cc(-c3ccc4ccccc4c3)nc3c2cnn3-c2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOEJGAGLGMRRHY-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGPCMSVTZXHHS-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1ccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHSULVCIHVRKN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C#Cc1ccc(S(=O)(=O)CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEZFJYCAMIMED-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1cccc(COc2ccc([S+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENNEXWLMNMNJK-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1ccc(COc2ccc([S+]([O-])CC(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSHCRLSBKPPKL-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(-c2cccc(COc3ccc([S+]([O-])CC(=O)O)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZHMFWAPOOIQZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C#Cc1ccc([S+]([O-])CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWTYGIQKPQJRX-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(F)cc2)sc1COc1ccc([S+]([O-])CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRRGGKFJKGFSMS-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1cccc(COc2ccc([S+]([O-])CC(=O)O)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEZFJYCAMIMED-NDEPHWFRSA-N", "SMILES:Cc1cccc(C)c1-c1cccc(COc2ccc([S@@+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEZFJYCAMIMED-MUUNZHRXSA-N", "SMILES:Cc1cccc(C)c1-c1cccc(COc2ccc([S@+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRUGGPSHVMEIIT-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cccc(COc2ccc([S+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKYGHWSFMWWJPB-UHFFFAOYSA-N", "SMILES:O=C(O)C[S+]([O-])c1ccc(OCc2cccc(-c3ccncc3Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSDAYVSXYFUCW-UHFFFAOYSA-N", "SMILES:Cc1cnccc1-c1cccc(COc2ccc([S+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNDIKDYYGAEOU-UHFFFAOYSA-N", "SMILES:Cc1ncnc(C)c1-c1cccc(COc2ccc([S+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSSIELHGHGJOEI-UHFFFAOYSA-N", "SMILES:Cc1cncc(C)c1-c1cccc(COc2ccc([S+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIDMKNUCSPAINJ-DHUJRADRSA-N", "SMILES:Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc([S@@+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIDMKNUCSPAINJ-PGUFJCEWSA-N", "SMILES:Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc([S@+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSWKAJRBRCWQF-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCN2CCOCC2)cc(C)c1-c1cccc(COc2ccc([S+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEWGLRZUYSZWLH-UHFFFAOYSA-N", "SMILES:Cc1cc(OCC2CCOC2)cc(C)c1-c1cccc(COc2ccc([S+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETPBDVDEKSIIW-UHFFFAOYSA-N", "SMILES:Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc([S+]([O-])CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKGVRAKYZSQPIL-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3274978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTCWULFNYNFGI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCUQJHYUPXDHN-UHFFFAOYSA-N", "SMILES:CC(=O)n1ccc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5431914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPULJIHNWKBSCZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1766970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPPSLURCSFQDH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2ccccc2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5429821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUMJJQZNOVOCGY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWLXCRLJQEJHE-UHFFFAOYSA-N", "SMILES:CC(=O)N1C(=O)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQPSXXZUVYCRIR-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCOc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYKFJPVDBKHNMM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCSc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKHMUMEEURMLM-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ccccc2CC1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5418816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHBBVVIQTWIDV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYWPWPPRAYOLIB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC(C)(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASBJQNSECLHNS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC2(CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNFUQIBJRUSWLH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC2(CCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RODJJNSJXSMINS-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ccccc2C2(C)CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRQBPDDBVHPKIP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBHLYGLPSDIFZ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFRSLHFDUNREPH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHXYYYUKZXBDMJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGCXUHPYBPBQJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(C)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAWGVXNSVQEZJY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(C#N)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWFKLWAZBFTQY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIUJBNBBDWUAC-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBAVYZUWFSWWFP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c1cccc2C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQOSRLVNUIBLJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(C3CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMSIXQLIGCKDR-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHAILVVDOCGESK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAOMRKOXBRECSL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN2C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYUBCCLLRJETBQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2cc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCTQANMBVHBRLQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLARAPYXMNEFP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c1ccc(Cl)c2Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXWHRVSCTBRAGA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2ccc(Cl)c(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSASNZFPBJPWRC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC2(CC2)c2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLAHDYKJJTVTPI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC2(CC2)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAWOXKRYAQSDND-UHFFFAOYSA-N", "SMILES:CC(=O)N1CC2(CC2)c2c1cccc2C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SETCVJLWYVWQBI-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1CC2(CC2)c2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHAGKYRDZDKUQT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CC2(CC2)c2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKPYWURNLKFLLG-UHFFFAOYSA-N", "SMILES:CC(=O)n1ccc2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCQUCVSMFLGVMH-UHFFFAOYSA-N", "SMILES:CC(=O)n1ccc2c(Cl)c(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMJJBREYMFVNS-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCOc2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPMCKRHXDXQPA-UHFFFAOYSA-N", "SMILES:O=C1CCC2Cc3ccccc3N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTPPNPVLTFOFPB-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc3ccccc3n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWJEDRSVUARIX-UHFFFAOYSA-N", "SMILES:O=C1OCC2Cc3ccccc3N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCFIGRUFBMMQPL-UHFFFAOYSA-N", "SMILES:O=C1COCC2Cc3ccccc3N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMUXERGODMLMKQ-UHFFFAOYSA-N", "SMILES:O=C1CCC2Cc3cc(Cl)ccc3N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOAJSYVVRUXECP-UHFFFAOYSA-N", "SMILES:O=C1CCC2Cc3c(Cl)cccc3N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMCATGLFXHIBGW-UHFFFAOYSA-N", "SMILES:CC12CCC(=O)N1c1ccccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBNLACZWDFCRLD-UHFFFAOYSA-N", "SMILES:O=C1N2c3ccccc3CC2CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKCBQMIPIZDIU-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1Cl)CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPNQFJDQASQOI-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(C(=S)SCC(=O)N(Cc2ccc(OC)c(O)c2)c2cc(OC)c(OC)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTQGJQHDCJQAG-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=S)SCC(=O)N(Cc3ccc(OC)c(O)c3)c3cc(OC)c(OC)c(OC)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRMZVKKQYMVHDP-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C(=O)CSC(=S)N2CCN(c3ccc(Br)cc3)CC2)c2cc(OC)c(OC)c(OC)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYLUTZSHQABHX-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C(=O)CSC(=S)N2CCN(c3ccc(C#N)cc3)CC2)c2cc(OC)c(OC)c(OC)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBUMYUJEKZWFH-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C(=O)CSC(=S)N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(OC)c(OC)c(OC)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDDCWYNBRRRQG-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C(=O)CSC(=S)N2CCN(c3ccc(N)cc3)CC2)c2cc(OC)c(OC)c(OC)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUZELUMYXAVEN-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-c1noc(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIBODLMGQQTEX-GCBPPVMSSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2nn(-c3ccc(F)cc3)c(C)c2C(=O)/C=C/c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGYQWFTUWQKLSG-GCBPPVMSSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2nn(-c3ccc(Br)cc3)c(C)c2C(=O)/C=C/c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOLEEZLOQAZMN-GCBPPVMSSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2nn(-c3ccc(Cl)cc3)c(C)c2C(=O)/C=C/c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXSCHSDXJBLOAB-DCIPZJNNSA-N", "SMILES:Cc1c(C(=O)/C=C/c2ccco2)c(C(=O)/C=C/c2ccco2)nn1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWJNNWKTKFBLF-ADJYCOIBSA-N", "SMILES:O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(OCCCOc2ccc(C(=O)/C=C/c3ccc(OCc4ccc(Br)cc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DANGHKSZYNVIIL-RVSCTIAXSA-N", "SMILES:O=C(/C=C/c1ccc(Oc2ccccc2)cc1)c1ccc(OCCCOc2ccc(C(=O)/C=C/c3ccc(Oc4ccccc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFLSLGRKNQYSPV-UEPANXSWSA-N", "SMILES:CN(C)c1ccc(/C=C/C=C/C(=O)c2ccc(OCCCOc3ccc(C(=O)/C=C/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PANGMLPEOVUFTQ-CRYYDKFDSA-N", "SMILES:O=C(/C=C/c1cccc2ccccc12)c1ccc(OCCCOc2ccc(C(=O)/C=C/c3cccc4ccccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOOXRBVENRXCOH-OZNQKUEASA-N", "SMILES:O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(OCCCOc2ccc(C(=O)/C=C/c3c[nH]c4ccccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJSUVLDYFWZCO-TWHMTRNPSA-N", "SMILES:O=C(/C=C/C=C/c1ccccc1)c1ccc(OCCCOc2ccc(C(=O)/C=C/C=C/c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZYMGDDZFPOQT-YXLFCKQPSA-N", "SMILES:O=C(/C=C/c1ccco1)c1ccc(OCCCOc2ccc(C(=O)/C=C/c3ccco3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSBKYHNMSGULY-UHHUPYCYSA-N", "SMILES:O=C(/C=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OCCCOc2ccc(C(=O)/C=C/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPXFBDPJVBDGH-YWNVXTCZSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc(OCCCOc3ccc(C(=O)/C=C/c4ccc(C)o4)cc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIXPKEOWROCEGK-FWSOMWAYSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc(OCCCOc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCZIBMUXKRWKO-HFBXSBKTSA-N", "SMILES:CN(C)c1ccc(/C=C/C=C/C(=O)c2ccc(OCCOc3ccc(C(=O)/C=C/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJCBHELYGMNWMX-ALNLEJBCSA-N", "SMILES:CN(C)c1ccc(/C=C/C=C/C(=O)c2ccc(OCCCCCCCOc3ccc(C(=O)/C=C/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZRVPWLXPUBTMI-WOJBJXKFSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc([C@@H]2CCC[C@@H](c3nnc(NC(=O)Cc4ccccc4)s3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXXQQWYIYJFSO-GOWWPEIRSA-N", "SMILES:C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2035464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGKVHIRSKZGDU-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1CCCCCCn1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKOOOIWYRNMLLQ-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1nc2ccccc2s1)c1cccnc1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQMJKMSNGLZDTP-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2c([nH]c3ccccc32)c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFPYYMDPCDNBRD-UHFFFAOYSA-N", "SMILES:O=C(CCSc1nc2c([nH]c3ccccc32)c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCZPYLXCEXWHGX-UHFFFAOYSA-N", "SMILES:O=C(CCCSc1nc2c([nH]c3ccccc32)c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRQLYDGEKCWZQP-UHFFFAOYSA-N", "SMILES:O=C(CCCCSc1nc2c([nH]c3ccccc32)c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQZRUWMBYMRRRE-UHFFFAOYSA-N", "SMILES:O=C(CCCCCSc1nc2c([nH]c3ccccc32)c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETHPBLVAALKHC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCSc1nc2c([nH]c3ccccc32)c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORSLBASMOVJDJ-UHFFFAOYSA-N", "SMILES:CCn1c(SCC(=O)NO)nc2c([nH]c3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUIAKFCZFNJZON-UHFFFAOYSA-N", "SMILES:CCn1c(SCCC(=O)NO)nc2c([nH]c3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMAONKSPZILOK-UHFFFAOYSA-N", "SMILES:CCn1c(SCCCC(=O)NO)nc2c([nH]c3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSHBXRUGEMSFBS-UHFFFAOYSA-N", "SMILES:CCn1c(SCCCCC(=O)NO)nc2c([nH]c3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZCANIPELZMSL-UHFFFAOYSA-N", "SMILES:CCn1c(SCCCCCC(=O)NO)nc2c([nH]c3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJRLWKSLRULHD-UHFFFAOYSA-N", "SMILES:CCn1c(SCCCCCCC(=O)NO)nc2c([nH]c3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGBZYVWIRMZBMG-UHFFFAOYSA-N", "SMILES:CCn1c(SCCCCCCCC(=O)NO)nc2c([nH]c3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOGPVWPLSPOBM-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1ccc(CSc2nc3c([nH]c4ccccc43)c(=O)[nH]2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZTQJKUOIDFBMA-ZZXKWVIFSA-N", "SMILES:O=C(/C=C/CSc1nc2c([nH]c3ccccc32)c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRVMRWVJLCHTO-VMPITWQZSA-N", "SMILES:CCn1c(SC/C=C/C(=O)NO)nc2c([nH]c3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGODQLLFEQRACR-OPEKNORGSA-N", "SMILES:C/C(=N\\O)c1ccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDKOJAMHXGCSG-LGJNPRDNSA-N", "SMILES:CCn1c(SCC(=O)Nc2ccc(/C(C)=N/O)cc2)nc2c([nH]c3ccccc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRLSXCKPXBKMHV-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCZAMGBVVRZKC-UHFFFAOYSA-N", "SMILES:O=C(CCSc1nc2[nH]ncc2c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONYWJLZIVMXCK-UHFFFAOYSA-N", "SMILES:O=C(CCCSc1nc2[nH]ncc2c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAACKHCRBNXBQ-UHFFFAOYSA-N", "SMILES:O=C(CCCCSc1nc2[nH]ncc2c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZFUWKHHKHNRB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCSc1nc2[nH]ncc2c(=O)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWLBTHQWMIAMH-AATRIKPKSA-N", "SMILES:O=C(/C=C/c1ccc(CSc2nc3[nH]ncc3c(=O)[nH]2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHVOEDQAHTOBE-ODCIPOBUSA-N", "SMILES:C/C(=N\\O)c1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJJZRKIMVRSKM-RMORIDSASA-N", "SMILES:C/C(=N/O)c1ccc(NC(=O)CCCSc2nc3[nH]ncc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONVBOGIJUIPBRC-NSHDSACASA-N", "SMILES:C[C@H](NCc1ccc2oc(-c3ccccc3F)cc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKKFIFFSLZSAF-NSHDSACASA-N", "SMILES:C[C@H](NCc1ccc2oc(-c3cccc(F)c3)cc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHKTEHOFWGJPW-NSHDSACASA-N", "SMILES:C[C@H](NCc1ccc2oc(-c3ccc(F)cc3)cc2c1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKPCLOLVGVMCK-LBPRGKRZSA-N", "SMILES:COc1ccccc1-c1cc2cc(CN[C@@H](C)C(N)=O)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFGLRICHYSYAU-LBPRGKRZSA-N", "SMILES:COc1cccc(-c2cc3cc(CN[C@@H](C)C(N)=O)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDLJHCKUOKQUCU-LBPRGKRZSA-N", "SMILES:COc1ccc(-c2cc3cc(CN[C@@H](C)C(N)=O)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTVXZQDKGBSCL-INIZCTEOSA-N", "SMILES:NC(=O)[C@@H]1CCN1Cc1ccc2oc(-c3cccc(F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQVNWTCXXSFTHG-IRXDYDNUSA-N", "SMILES:NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc2oc(-c3cccc(F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZYLCEUXWDGHKU-INIZCTEOSA-N", "SMILES:COc1ccccc1-c1cc2cc(CN3CC[C@H]3C(N)=O)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFRBNGKRCVTKG-KRWDZBQOSA-N", "SMILES:COc1cccc(-c2cc3cc(CN4CC[C@H]4C(N)=O)ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLYDGWHKVLPMBK-KRWDZBQOSA-N", "SMILES:COc1ccc(-c2cc3cc(CN4CC[C@H]4C(N)=O)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFSKLVFIKIOOZ-INIZCTEOSA-N", "SMILES:NC(=O)[C@@H]1CCN1Cc1ccc2oc(-c3ccccc3F)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKDSWBTYFRFBJ-INIZCTEOSA-N", "SMILES:NC(=O)[C@@H]1CCN1Cc1ccc2oc(-c3ccc(F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDCGPTIGXHUUSS-IRXDYDNUSA-N", "SMILES:NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc2oc(-c3ccc(F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKLFXHUCXEIEU-INIZCTEOSA-N", "SMILES:NC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc2oc(-c3ccc(F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVIJUJBSAAUHEM-VKHMYHEASA-N", "SMILES:CC[C@@H](O)P(=O)(O)O"]}
{"name": "Metallothiol transferase FosB", "xref": ["CHEMBL.TARGET:CHEMBL5465385"], "id": "UniProtKB:Q5HDM4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93062"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAZGNRIYIVFCOY-GSVOUGTGSA-N", "SMILES:C[C@H](CO)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSVFERDDBHVCB-SCSAIBSYSA-N", "SMILES:CC(C)[C@H](O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL50300", "category": ["biolink:ChemicalEntity"], "name": "FOSFONET", "xref": ["InChIKey:XUYJLQHKOGNDPB-UHFFFAOYSA-N", "SMILES:O=C(O)CP(=O)(O)O"], "synonym": ["Fosfonet", "NSC-18205"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5421054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXRZQZCNOHHDO-REOHCLBHSA-N", "SMILES:C[C@@H](C(=O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOWKASSFBQDER-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ccnc3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVOZGEJRFWGHFZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ccnc3cc2OCC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUGYIQUKLPWNJR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ccnc3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZYLQRVLCWUMS-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CC=C(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ccnc3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNLMKQNLLHXMA-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C1=CCN(C(=O)CCl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFZTNGRRHKFJK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ccnc3cc2OC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJVJXDVLFYHFMD-SNAWJCMRSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C1CCN(C(=O)/C=C/CN(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUVKKUEBKTVTL-UXBLZVDNSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C1CCN(C(=O)/C=C/C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKSNIYIBUJCRQX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ccnc3cc2OC)C(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLYKLCXDVCUMJX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ncnc3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXOHDBOVTROMPX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ccnc3cc2OC(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVOINVJODKPPLB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ccnc3cc2OCC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOWKASSFBQDER-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])Oc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C1CCN(C(=O)C=C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGXLBAJXWZPWSL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(F)c4)ccnc3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWQFPDSGFWBQFD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cc3c(Oc4ccc5c(C(=O)NC)c(C)oc5c4)ccnc3cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDFBJEYJDVRNBX-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDFBJEYJDVRNBX-NSHDSACASA-N", "SMILES:C[C@@H](c1ccccc1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAEVPFZIDQMCJB-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1Cl)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMEGWTNEOLAVKJ-UHFFFAOYSA-N", "SMILES:CC(c1ccc(F)cc1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMKRBGWYMSVAK-UHFFFAOYSA-N", "SMILES:CC(c1cccc(Cl)c1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKGUJPOBSKHYKH-UHFFFAOYSA-N", "SMILES:CC(c1cccc(-c2cc[nH]n2)c1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIWCSURIYIYTO-UHFFFAOYSA-N", "SMILES:CC(c1cccc(-c2cn[nH]c2)c1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZAXKVPYXQKLNZ-UHFFFAOYSA-N", "SMILES:CC(c1cccc(-c2c[nH]cn2)c1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYELNOWBQWPEBT-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2ccccc2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPKJNCZVRRCLFL-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2ccccn2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGXVEYCTABTOF-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2ncccn2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTJXJHQZTZYPIE-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2ccc3[nH]ccc3c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGIUEWQDJPVTOK-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2cccc3cn[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGEIAXNRJWEHFV-UHFFFAOYSA-N", "SMILES:CC(c1cccc(-c2c[nH]cn2)c1)n1cc(-c2cccc3cn[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEGYOHCORJZWNI-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2cccc3c(F)n[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDJSDHCGTVXAI-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2c(-c3cn(C(C)c4ccccc4)c(=O)[nH]c3=O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZLGYASLUPTQJ-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2cccc3c(C#N)n[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGGTJBZHPMJNZ-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2c(F)ccc3cn[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHROYIQYNMMKI-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2cc(F)cc3cn[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXDNUGWLSKTGKU-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2cc(F)cc3c(C#N)n[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQOIAJUXHQPDBV-UHFFFAOYSA-N", "SMILES:CC(c1ccccn1)n1cc(-c2cc(F)cc3c(C#N)n[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKWUMHRZBSGSJW-UHFFFAOYSA-N", "SMILES:CC(c1ccc(F)cc1)n1cc(-c2cc(F)cc3c(C#N)n[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKWUMHRZBSGSJW-JTQLQIEISA-N", "SMILES:C[C@@H](c1ccc(F)cc1)n1cc(-c2cc(F)cc3c(C#N)n[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHYKOKAOCFFLD-UHFFFAOYSA-N", "SMILES:CC(c1ccc(F)cc1)n1cc(-c2cc(F)cc3cn[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHYKOKAOCFFLD-JTQLQIEISA-N", "SMILES:C[C@@H](c1ccc(F)cc1)n1cc(-c2cc(F)cc3cn[nH]c23)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHVCEEHTXZCEQH-UHFFFAOYSA-N", "SMILES:C#Cc1n[nH]c2c(-c3cn(C(C)c4ccccc4)c(=O)[nH]c3=O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWWEKACMFDCHL-UHFFFAOYSA-N", "SMILES:C#Cc1n[nH]c2c(-c3cn(C(C)c4ccccc4)c(=O)[nH]c3=O)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWWEKACMFDCHL-LBPRGKRZSA-N", "SMILES:C#Cc1n[nH]c2c(-c3cn([C@@H](C)c4ccccc4)c(=O)[nH]c3=O)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLEFMUFIOKQOHV-UHFFFAOYSA-N", "SMILES:C#Cc1n[nH]c2c(-c3cn(C(C)c4ccccn4)c(=O)[nH]c3=O)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLEFMUFIOKQOHV-NSHDSACASA-N", "SMILES:C#Cc1n[nH]c2c(-c3cn([C@@H](C)c4ccccn4)c(=O)[nH]c3=O)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXHUBIROWQFCN-CIBFVHANSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H]2OCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURBFVDKWOUNSQ-IPXJXJKCSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H]2OCCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLESHNTYCKAIOZ-ILRSOXBSSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H]2OCCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBGHQRGHFNTSDP-DJABAAGCSA-N", "SMILES:Cc1ncnc2c1ccn2[C@@H]1C[C@H](Oc2cc(C(F)F)c(F)c3c2CNCC3)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIIXXTIREUPXSF-XMMPIXPASA-N", "SMILES:CC(=O)N1CCC(Nc2cc3c(cn2)C2(CC2)CN(C[C@H](O)CN2CCc4ccccc4C2)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYPSWDNEDTZFS-XMMPIXPASA-N", "SMILES:CC(=O)N1CC2(CC(Nc3cc4c(cn3)C3(CC3)CN(C[C@H](O)CN3CCc5ccccc5C3)C4=O)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVYMDWQWQIEBZ-IZZNHLLZSA-N", "SMILES:CC1(C)CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(C(=O)N3CCC4(CC3)CC4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWPMFVYROSUWOV-LMSSTIIKSA-N", "SMILES:CCN1CCN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(C(=O)N3CCC4(CC3)CC(OC)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RECPIUPJQVYMIJ-DQEYMECFSA-N", "SMILES:CC(=O)N1CCC(Nc2cc(C(=O)N3CC[C@H](N4CCc5ccccc5C4)[C@@H](O)C3)c(F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKWFHTMXSAKCDK-NGSIPNKDSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLFWTSTZSDJCFU-KGVSQERTSA-N", "SMILES:O=C(O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4101673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVTZBLEFONQPD-NYYWCZLTSA-N", "SMILES:Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095210", "category": ["biolink:ChemicalEntity"], "name": "VEPDEGESTRANT", "xref": ["InChIKey:TZZDVPMABRWKIZ-XMOGEVODSA-N", "SMILES:O=C1CC[C@H](N2Cc3cc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)CC5)CC4)ccc3C2=O)C(=O)N1"], "synonym": ["Vepdegestrant", "Vepdegestrant", "Vepdegestrant", "Arv 471", "Vepdegestrant", "ARV-471", "ARV-471 (PROTAC)", "ARV471", "PF-07850327", "Vepdegestrant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095183", "category": ["biolink:ChemicalEntity"], "name": "IMLUNESTRANT", "xref": ["InChIKey:UVBQMXOKKDCBJN-MUUNZHRXSA-N", "SMILES:Oc1ccc2c3c(cnc2c1)-c1ccc(C(F)(F)F)cc1O[C@@H]3c1ccc(OCCN2CC(CF)C2)cc1"], "synonym": ["Imlunestrant", "Imlunestrant", "Imlunestrant", "Imlunestrant", "Ly 3484356", "LY-3484356", "LY3484356", "Imlunestrant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095057", "category": ["biolink:ChemicalEntity"], "name": "BEXIRESTRANT", "xref": ["InChIKey:DVZLOPUYTKPWHJ-MPWQXXDYSA-N", "SMILES:CC1=C(c2cc(F)cc(F)c2)[C@H](c2ccc(/C=C/CN3CC(CF)C3)cc2)Oc2cc(O)ccc21"], "synonym": ["Bexirestrant", "Bexirestrant", "Bexirestrant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMJMQIXEUWIPY-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)NC1CCN(C(=O)CNc2cc(I)c(Cl)cc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJNFYLSFWYRSHS-CMZSUCOPSA-N", "SMILES:CCn1c(-c2cccnc2[C@H](C)OC)c2c3cc(ccc31)N1CCO[C@@H](C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C3(F)CCN(C(=O)C#CC(C)(C)N(C)C)CC3)C(=O)N3CCC[C@H](N3)C(=O)OCC(C)(C)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095236", "category": ["biolink:ChemicalEntity"], "name": "DIVARASIB", "xref": ["InChIKey:ZRBPIAWWRPFDPY-IRXDYDNUSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c(F)c(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)[C@@H](C)C1"], "synonym": ["Divarasib", "Divarasib", "Divarasib", "Divarasib", "Gdc 6036", "GDC-6036", "RG-6330", "RG6330", "RO-7435846", "RO7435846", "Divarasib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUPVMVHXMWBFDP-GOEBONIOSA-N", "SMILES:CS(=O)(=O)N1CC[C@H](C#CC(=O)N2CCC[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJSOTTYIVCEQO-VQTJNVASSA-N", "SMILES:N#CN[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2)c2ccc(-c3ncnc4[nH]ccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMISHRJQMYQPMG-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(Cc5ccccc5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTVDOVJPKJLMHL-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORYNQLZHVRGAT-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1cccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEXFOIODJDMVND-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMDXOZBHRGKNA-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQJLLWADQSRDK-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCJANTAYZITGBQ-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2cccnc2NCc2ccc(F)cc2O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFPPUJHTLAJSCS-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBKDOPCDPTXFF-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTPUBIGLNAEASP-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1cc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPASLMZJHFYBT-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1cocn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOYRIADGONWOZ-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1ccon1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWHWXISWBIHTFS-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cccnc1NCc1ccc(F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCSFEABWUDFLHK-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWOQITUVVLWGL-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1cscn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEPDKULOXZZPRN-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cccnc2NCc2ccc(F)cc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWDOVJXRULKILC-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1ccns1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQARFFVBFBAPIU-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRBHYYGVXFACE-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2cccnc2NCc2ccc(F)cc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHMHZWAZTGHNTQ-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1ccsn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRUXNVQGIXBIR-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1nc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKBBIWJHJGYQOB-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1ncon1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKSARDPXKOEOZ-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1cn[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAMFJULOLBBRY-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRSGGJSYVXALX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccnc2NCc2ccc(F)cc2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJJZLXTYPOUKMM-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1nccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCLJMASRJGRPNQ-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAUIYAWAWRTNOK-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLMMZMBZJPCHOK-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1cn2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOZQWZVQORTZEE-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPIMJZTXLZBHIK-UHFFFAOYSA-N", "SMILES:Oc1cc(F)ccc1CNc1ncccc1-c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBKWLFSNXVDEST-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(C(C)C(=O)O)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMCSPVMBWMMWOG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(C(C)C(=O)O)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYKOSXGXPTBMD-UHFFFAOYSA-N", "SMILES:CSc1cccc(-c2ccc(C(C)C(=O)O)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPFILVZIKRHNL-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2cccc(O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUJUOJTVZTULP-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2cccc(C(=O)O)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFNOHHTDNAGNI-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2cccc([N+](=O)[O-])c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL194686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSAZDNHBARIONP-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccccc2C(F)(F)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXCZRVAATVNDM-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2cccc(C(F)(F)F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL193971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQRNRXJRSCEOL-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRSHYQTGBBNPO-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccc(C(C)(C)C)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGOZWNALDTAFE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(C(C)C(=O)O)cc2F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHOQRCCGFLTCQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(C(C)C(=O)O)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSXOIZMEVFKJID-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(C(C)C(=O)O)cc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLTMVSQUAQJJRC-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2cccc(C(=O)O)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGYZGGKNSTJII-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2ccc(C(C)C(=O)O)cc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCSGGTFJZPGLFE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(C(C)C(=O)O)cc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVDVAPVZGWMKJO-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIBTMAEURWVJS-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccc(C=O)cc2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVMQYUZFQZCLJ-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXTYSPDHINYGD-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(C(C)C(=O)O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBAODVEMMNMJD-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)C(=O)O)ccc1-c1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEUANWCGVKYROE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)C(=O)O)ccc1-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFOWFZQYLUNARR-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)C(=O)O)ccc1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQFCDKFZYQNOMV-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)C(=O)O)ccc1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXYYVTWSXQCYHU-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C(=O)O)ccc1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCYVZNWGVJRLTD-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C(=O)O)ccc1-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETKCCXTZNZVKE-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C(=O)O)ccc1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVLWBNRMIBHRV-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C(=O)O)ccc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARGFSRFOMSQQY-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C(=O)O)ccc1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHXMRPOFCKSRA-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C(=O)O)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVFKPROJCPGST-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2cccc(OC)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMEIRBHRWYZVPF-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2cccc([N+](=O)[O-])c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQCGTILJIJILA-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2cc(C)cc(C)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTFXTJXFJCIYHZ-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJAYAXNUUROFJP-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRWCPHGQBFRFLJ-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHLVJSOCYJKNGZ-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2cccc(C(=O)O)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELXPGHZTNLGON-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccc(C(=O)O)cc2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMHPHUBIVZSYHK-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2cccc(C(N)=O)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXZXHHZDXJHHCS-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2cc(C)cc(C)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDNPMPQJBLJAY-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2cc(OC)cc(OC)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJBGSNSNJNRCR-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZMCUINTVDMYCG-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccc(C)c(F)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUPNOJCVURCSS-UHFFFAOYSA-N", "SMILES:CCC(C(C)=O)c1ccc(-c2cc(Cl)cc(Cl)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL194645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXVYMKYGSXJURY-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccncc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNRXTVGEHZESX-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2cccnc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSXGTXFQUYFJCN-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2cccc3ccccc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCDIZVIALWQJIO-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccc3ccccc3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNNOHXPKJQSBPT-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2cnc3ccccc3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDYYFBIIMDWGY-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccc3ncccc3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMSZFTNNHNTUJW-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1ccc(-c2ccc3ccccc3c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTIRPQROJRUNF-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2cncnc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXERKLBBKUOARE-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccc3ccccc3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZPYLJAUUIDPCZ-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccc3cc(OC)ccc3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXTUMLWXVZOKC-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccc3cc(OC)ccc3c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKONSLCKRCWQMW-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccc3nc(C)ccc3c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRVLNAWCZMVLA-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccc3c(c2)OCO3)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDGKSKQDIKJJI-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccc(Cl)nc2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUUUDNLKLWERAI-UHFFFAOYSA-N", "SMILES:CCC(C(=O)O)c1ccc(-c2ccnc(Cl)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXTUDUYNLZZKC-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZJNBDDGJLXPCF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccc(C(C)(C)C(=O)O)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWVDEELEHXLNJV-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2ccc(-c3cccc(C(F)(F)F)c3)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSJECWLMZQYDZ-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2ccc(-c3cnc4ccccc4c3)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL196945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIYLTQQDABRNRX-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJGLZRYGZSQOR-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2ccc(-c3cc(Cl)cc(Cl)c3)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJYSUDFMJUOKJ-UHFFFAOYSA-N", "SMILES:O=C(O)C1(c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUOLCIAVHVAETC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(C3(C(=O)O)CC3)cc2F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325795", "category": ["biolink:ChemicalEntity"], "name": "S-ROLIPRAM", "xref": ["InChIKey:HJORMJIFDVBMOB-GFCCVEGCSA-N", "SMILES:COc1ccc([C@H]2CNC(=O)C2)cc1OC1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5429990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXLEEZFJQIPDM-JEVPTFKYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMDGDJRQIAYPFE-ZSAYTRCTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLPRUWGRQMHFIY-XTYQKSJHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGDXCDNAPAXOV-XBGUJRJSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC3=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGBNVUMEYEBKN-RAPVDQRESA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC3=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFAMQOJQRXIKFJ-KYIYSEQCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC3=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNNVXOCKLSJFK-JJKRMTNNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC3=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNSQNIMBFZDEV-VGEJLQPTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC3=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCDREZXMADNRNV-MXTJBBKQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC3=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQSUQSBYNIJANZ-UHFFFAOYSA-N", "SMILES:CC1CCCN(CCCOc2ccc(-c3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWOCSOVHUPHIX-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLXJZNQOUHQQE-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(OCCCN3CCCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLIKLZJBHMZOW-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIFQONTASVPGI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAELYDKTBOGLAV-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(OCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCKPYDIVSWNOV-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2ccc(OCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POMMSDABBDAIPZ-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2ccc(OCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFGMLKMDIJBPPN-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(OCCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4597895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBPYYRKGLJNEU-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(OCCCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4598396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUSXTYISIIQEMC-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(OCCCCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUXJHZOSYXPSS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(OCCCN3CCC(c4ccncc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POAJIKPTLPGVEZ-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(OCCCN3CCC(c4ccncc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCXJGNFPOLARW-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2ccc(OCCCN3CCC(c4ccncc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFYSYWUJTWNVLA-UHFFFAOYSA-N", "SMILES:c1ccc(Cc2ccc(OCCCN3CCC(c4ccncc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVKKYCJACTULJR-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZUQDMETINBTL-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c(Nc2ccc(CN3CCCOCC3)cc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRQBCHEPYXHOG-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1-c1cc(Cl)c(Nc2ccc(CN3CCCOCC3)cc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOZVAMDYOCNIMM-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2c(C)n[nH]c2C)cc(CC)c1Nc1ccc(CN2CCCOCC2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYIOUFRWHHSCM-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1ccc(CN2CCCOCC2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKGFUNWMFFSJF-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN2CCCOCC2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWVQYRGIOKJPCR-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN2CCCN(C)CC2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVTRUHYAOJBZHF-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN2CCOCC2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPZUXNVYNBATTF-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN2CCN(C)CC2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTPXFHBAPMJUSK-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN2CCC(OC)CC2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTVHSKJJMLSPD-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN2CCC(F)(F)CC2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBAAYTUQVBDSHL-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN2CCCC2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPZTQGKMSXNRI-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(Cn2ccnc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYQHKLOLEISPKX-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN2CC(N(C)C)C2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVVDWCHKHSJWFK-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN(CC)CC)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVSAKRBVNMDSR-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN(CC)CCN2CCOCC2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWJDVCHUOHZME-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(CC)c1Nc1cccc(CN(CCOC)CCOC)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACIFZPEYYEYPH-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(CN2CCCOCC2)cccc1Nc1c(C2CC2)cc(-c2ccncc2)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGOXMGVEBGVKX-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccncc2)cc(C)c1Nc1cccc(CN2CCCOCC2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXIXBDCDZEPPP-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(CN2CCCOCC2)cccc1Nc1c(Cl)cc(-c2ccncc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBAUQTNQUWLEEQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(CN2CCCOCC2)cccc1Nc1c(Cl)cc(-c2ccncc2)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLFHMJYTZDCTCY-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(CN2CCCOCC2)cccc1Nc1c(Cl)cc(-c2nnn[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPJIETYJUXBDHY-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c(Nc2cccc(CN3CCCOCC3)c2C(=O)O)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIIJQVYGFIRNI-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cc(Cl)c(Nc2cccc(CN3CCCOCC3)c2C(=O)O)c(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNPRNIABVLYBSN-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1-c1cc(Cl)c(Nc2cccc(CN3CCCOCC3)c2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNQWIOGVIJQVHC-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CN1CCN(c2cc3cc(C(=O)O)ccc3n2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVTQNJUAKOOQDC-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CN1CCN(c2nc3ccc(C(=O)O)cc3o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKZWJOORSMJDE-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXERDUOLZKYMJM-OBLUUIDRSA-N", "SMILES:CC[C@H]1[C@@H](O)C2[C@@H]3CC[C@H]([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5401893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXKIJZHCBGNAJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(C3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDKZVNGQZHZESD-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(C3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTPRZKJMDHCLHA-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCC(Cc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHXYXRSXQIHPBZ-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CN1CCCN(c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDWVUFBIHGGQCA-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)CC3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTGVJGKLQJEIPK-UHFFFAOYSA-N", "SMILES:CCC1CN(Cc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CCN1c1nc2c(OC)cc(C(=O)O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHZMCUPAHXZRTO-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)CC3C(C)C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJCUMQDGVOUGF-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)CC3(C)C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEHHEUXHNQIIX-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEHHEUXHNQIIX-CQSZACIVSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C[C@H]3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEHHEUXHNQIIX-AWEZNQCLSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C[C@@H]3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKRITUFFXSAEFS-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(Cc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)CCN1c1nc2c(F)cc(C(=O)O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWFUSYOAUHNIIX-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CN1CCN(c2cc3cc(C(=O)O)ccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMDPCYJITUWNOD-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CN1CCN(c2nc3cc(C(=O)O)ccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCKVYDGYAPZPRK-UHFFFAOYSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CN1CCN(c2nc3ccc(C(=O)O)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDWVUFBIHGGQCA-OAHLLOKOSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)C[C@H]3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDWVUFBIHGGQCA-HNNXBMFYSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)C[C@@H]3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTTXNBYWXUSADQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)CC34CC4)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNFWRHKLBLSSPB-MRXNPFEDSA-N", "SMILES:CC(C)(C)c1ccc(CC[C@@](O)(CC(=O)O)C(=O)O)cc1"]}
{"name": "Na(+)/citrate cotransporter", "xref": ["CHEMBL.TARGET:CHEMBL3769293"], "id": "UniProtKB:Q86YT5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUOYAALVGSMUHC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROHREYIOOKLOGX-UHFFFAOYSA-N", "SMILES:Cc1nc(OC(F)F)ccc1C(C)N1CCc2c(C#N)c(Cl)nc(NCC#N)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPMJKLQVYCWHD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)OCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJMDYLWCYJJYMO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(C(=O)O)c1C(=O)O"], "synonym": ["Benzene-1,2,3-Tricarboxylatehemimellitic Acid"], "chembl_natural_product": true}
{"name": "Tricarboxylate transport protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5465271"], "id": "UniProtKB:P53007", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIJQJWNGBILZCU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJTHPOSQGFJTDP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1"]}
{"name": "ATP-citrate synthase", "xref": ["CHEMBL.TARGET:CHEMBL2745"], "id": "UniProtKB:P16638", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214277", "category": ["biolink:ChemicalEntity"], "name": "PURPURONE", "xref": ["InChIKey:USHRRYVVGLGHAL-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(O)c(O)c2)=c2c(c3c(n2CCc2ccc(O)cc2)=C(c2ccc(O)c(O)c2)C(=O)c2cc(O)c(O)cc2-3)-c2cc(O)c(O)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5406616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTSHUWHIDBZAK-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUOHJDNYCBQBU-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccccc2-c2cc(c(F)cc2F)NS(=O)(=O)c2cc1cc(Cl)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL120648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRRMRPIDRCWTG-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CSCCCCCCc1ccc(Cl)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYQCQTSIIIUTFF-UHFFFAOYSA-N", "SMILES:O=C(O)CC(CSCCCCCCc1ccc(Cl)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDZPBYZECADBQ-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCCCCCCCc1ccc(Cl)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL121948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYQRLLLEXVHQGE-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CC(=O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPZOIISFQXTCQN-RDTXWAMCSA-N", "SMILES:O=C(O)C[C@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPWWWGROSGLPP-AATRIKPKSA-N", "SMILES:CC(C)(CCCC/C=C/CCCCCC(C)(C)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZAGIHBLFSORGU-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c2c(c1)Cc1cc(O)c(Cl)c(O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4287406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLDVDGEVBRYTL-JABWOZRQSA-N", "SMILES:CCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4290816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFFQZIETBZFRR-QSFRASQOSA-N", "SMILES:CCC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@@H]1CCC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL63829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSMCRNFENOHJH-UHFFFAOYSA-N", "SMILES:CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL357626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJOCOSWJQYXGU-TZKMECQKSA-N", "SMILES:CS(=N)(=O)C[C@@](O)(CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEDLLNIZNWRDMG-DZSWIPIPSA-N", "SMILES:O=C(O)C[C@]1(C(=O)O)O[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5438623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKXUSHZRSSIEGQ-RNCFNFMXSA-N", "SMILES:O=C(O)C[C@@]1(O)C[C@@H](Cc2ccc(Cl)cc2Cl)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSHUYCCOPBIHN-WAGURGNTSA-N", "SMILES:CCOc1ccc([C@H]2[C@](C)([N+](=O)[O-])[C@H](c3ccccc3)N[C@]2(C)C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4108488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRWOHRGXFCADF-XVTSZCMISA-N", "SMILES:CN(CCC(=O)O)C(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cncc(F)c3)=CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLILIESGRGWCSL-ZHACJKMWSA-N", "SMILES:CC(C)=CCc1cc(/C=C/C(=O)O)cc(C(=O)NCc2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLAEROLYBFYMD-VAWYXSNFSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDJHYKLBYZQHK-IZZDOVSWSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(Br)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOZKMOHLBPQUOB-IZZDOVSWSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(Cl)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYLJLQFXCJXGO-IZZDOVSWSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNSGEXRKFYDPIN-ZHACJKMWSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccccc3F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQAZXSNYGXKOJ-MDZDMXLPSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3cccc(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDLGKRMMTCVPSV-RMKNXTFCSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(F)cc3F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLVQCHYMOUACFK-IZZDOVSWSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZENQGIDPXJUAF-FMIVXFBMSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(C)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYQMMKQAFYSHG-JLHYYAGUSA-N", "SMILES:CCc1ccc(-c2cc(/C=C/C(=O)O)cc(C(=O)NCc3ccc(C)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMGPIPGNLDKONA-MDWZMJQESA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(C(C)C)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZGRZICRLJBGW-KPKJPENVSA-N", "SMILES:COc1ccc(-c2cc(/C=C/C(=O)O)cc(C(=O)NCc3ccc(C)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCJWEOKNYFFSEX-DHZHZOJOSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(C#N)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPAPXKOXKCRNEG-LFIBNONCSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(Oc4ccccc4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APGBWLDXCFXLNA-JLHYYAGUSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc4ccccc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCBJGOZMBFXQSG-DHZHZOJOSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc4cccnc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSRXUFIIOXECOU-RMKNXTFCSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc4nccnc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIORHJGAHSLJSR-MPUSPQBPSA-N", "SMILES:CC[C@@H](NC(=O)c1cc(/C=C/C(=O)O)cc(-c2ccc(C(C)C)cc2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTTKCGIKODRDGM-TWUYPRELSA-N", "SMILES:CC[C@@H](NC(=O)c1cc(/C=C/C(=O)O)cc(-c2ccc(Oc3ccccc3)cc2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEDAOXUOTSWOEA-BQYQJAHWSA-N", "SMILES:COC(=O)/C=C/c1cc(Br)cc(C(=O)NCc2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKIMZJGEAUIWCM-VOTSOKGWSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(Br)cc(/C=C/C(N)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQLYUVDYGWRAO-LFIBNONCSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(N)=O)cc(-c3ccc(Oc4ccccc4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOBYVDJPQDERH-CMDGGOBGSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(Br)cc(/C=C/C(=O)N(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXJXDSDAWLVHRC-NSCUHMNNSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(Br)cc(/C=C/C#N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWAWSYFTNBMFOX-AATRIKPKSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C#N)cc(-c3ccc(Oc4ccccc4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCVIBNRARTBRH-SNAWJCMRSA-N", "SMILES:CC(C)=CCc1cc(/C=C/C#N)cc(C(=O)NCc2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWQAZTYFYCFQU-RMKNXTFCSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc4ncnn4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNWYUJGUYDBDSB-RMKNXTFCSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc4c(c3)OCCO4)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIHPQQOCNSYVCD-RMKNXTFCSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc4c(c3)OCO4)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKSEMLROYEMQS-LFIBNONCSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(-c4ccccc4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZARZFGMYLKGPN-XMHGGMMESA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSUEECUCNUDDA-BUHFOSPRSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(C#Cc3ccccc3)cc(/C=C/C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQVWCJQYBIRTMI-OUKQBFOZSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(CC(C)c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJRCBYBPZVBXTG-RMKNXTFCSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc(CN4CCOCC4)c(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLYWHFTVWVWKCE-QJRLLOQJSA-N", "SMILES:C/C=C/Cc1cc(/C=C/C(=O)O)cc(C(=O)NCc2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLYWHFTVWVWKCE-CSWDMDPZSA-N", "SMILES:C/C=C\\Cc1cc(/C=C/C(=O)O)cc(C(=O)NCc2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRIACHAFKTTSX-ZHACJKMWSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(C#CC3CC3)cc(/C=C/C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHWUWRGGFHIVMY-CMDGGOBGSA-N", "SMILES:CC(C)=CCOc1cc(/C=C/C(=O)O)cc(C(=O)NCc2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHOWDOZEPLOLS-VOTSOKGWSA-N", "SMILES:Cc1ccc(CNC(=O)c2cc(Br)cc(/C=C/C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCJIEWHJCBUWTR-GWVTULHFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTBGJDYOVWSUBK-FZWOKBRSSA-N", "SMILES:CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLSOGQLAFFHKM-VQKAUQHZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNXJBPRZUDEKU-HXZVWRCQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPNFZIMPYBJLB-LQOLZVFNSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXUITWFZUXOHSN-SVDRJTPKSA-N", "SMILES:C[C@H](N)C(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFKVBNVVQUCKMW-WFJHJUOYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCDBUNREIVDJG-IXTBYRQNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N2)C(=O)CCSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEGLLGCTQHVTPQ-JJIRPMSOSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N2)C(=O)CCSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHQFYOWIKPWYSH-TWTSJHCISA-N", "SMILES:C=C1N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSCCC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H]1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXHHJBCXOPIDF-UEFISRJMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXHHJBCXOPIDF-UDPZDISYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWWFUFVARXUGEB-ZHNGVTASSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLFBENJVYRFOD-MWIKTQJPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGHBTFKIFSBRS-ZHTUCRFGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYUDPEVFKCWPHR-DXVZALGRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEMXGVBGXOMJN-DXVZALGRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTTZTKTKKEACY-YWVZDCFWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMIUVQFCFZSKHD-KSASGXJPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMBEAKKWBHVCG-PUZSIGLKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@]2(C)CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUYBQHLLQLBEMP-GWVTULHFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDYHOZNQVFMTNM-DIZIUSRTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDYHOZNQVFMTNM-MPHZKQTNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVHSDGYBZKBCJ-PDBBZMQFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGCDTKIRKSHBF-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(NC(=O)NC4CCCCC4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQBKPKTJHYDDL-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(NC(=O)NC4CCCC4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLAMYFDREYKCMR-UHFFFAOYSA-N", "SMILES:CCCNC(=O)Nc1cnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDFHASDXUCNLAZ-UHFFFAOYSA-N", "SMILES:C=CCNC(=O)Nc1cnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDLCROGLKZCTG-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)Nc1cnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVDVOTYCUFQWHP-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(NC(=O)NC(C)(C)C)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YORJZHNXLXVDJF-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVOTVFNEOHYMKR-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OC(C)CN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMEKCDQXRPRJEB-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCN4CCCC4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWZTVZQRJHVLF-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCN4CCCCC4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGUYAKKTMQVDC-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCN4CCOCC4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDLXMLMLVSOUCW-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCN4CCN(C)CC4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVDKOIXVHPFPGT-UHFFFAOYSA-N", "SMILES:CC(C)CCCOc1ccc(-c2ccc3ncc(N(C)C(=O)NC(C)C)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNZOOUSSRMKLLL-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCCN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJRDACNFDUEQEP-UHFFFAOYSA-N", "SMILES:COCCCOc1ccc(-c2ccc3ncc(N(C)C(=O)NC(C)C)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIHNYFREXJXGLY-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OC4CCN(C)CC4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEDHFJUPJCQKT-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCC4CCCN(C)C4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLLIOQNJDDJJM-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCC4CCN(C)C4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXCZVBBAPDGDRP-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCC4CCCN4C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOXQCOGFDCPEW-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCOc1ccc(-c2ccc3ncc(N(C)C(=O)NC(C)C)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXNFDPCLEBYSRA-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccnc(OCCCN4CCCCC4)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPCNFDPIFYKNE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3ncc(N(C)C(=O)NC(C)C)nc3c2)cnc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZKPQMVPNMOUSM-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCN2CCCCC2)ncc1-c1ccc2ncc(N(C)C(=O)NC(C)C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USEIKYHKOQHCBD-UHFFFAOYSA-N", "SMILES:Cc1nc(OCCCN2CCCCC2)ccc1-c1ccc2ncc(N(C)C(=O)NC(C)C)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFSKRNIWBYIPB-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3cnc(OCCCN4CCCCC4)c(C(F)(F)F)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQGXHBXLXQTAJ-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN4CCCCC4)nc3C#N)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDCUOCGXZFBMPR-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3cnc(OCCCN4CCCCC4)c(F)c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYQNCONIALENW-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3cnc(OCCCN4CCCCC4)cc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNPLKMABYFKJDH-UHFFFAOYSA-N", "SMILES:CCNC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCJKWFIFCZKTB-UHFFFAOYSA-N", "SMILES:CCCNC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRULOSUOLVHBOG-UHFFFAOYSA-N", "SMILES:C=CCNC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZKPAFPBLXWTRV-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVFAAFXICVCFO-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(N(C)C(=O)NC(C)(C)C)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEOXROLAHOVINT-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJLBJWKUUHBIOS-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(N(C)C(=O)NC4CC4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLAHDESFVRLULJ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(N(C)C(=O)NC4CCCC4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSHUOGPDXYGGSW-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(N(C)C(=O)NC4CCCCC4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRRQYSWAXOQNOS-UHFFFAOYSA-N", "SMILES:CC1CCC(NC(=O)N(C)c2cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEKMOBDMFCRNE-SJHNWKLGSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(N(C)C(=O)N[C@]45C[C@@H]6C[C@@H](C[C@H](C6)C4)C5)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLJOAJLZKPQPA-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N(C)c2cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYTWFEFIWWQDSQ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(N(C)C(=O)Nc4cccc(C(F)(F)F)c4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREZMINTZYJHNA-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(N(C)C(=O)Nc4ccccc4Cl)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCBMHEDMRULLBM-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc(N(C)C(=O)Nc4ccc(Cl)cc4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBVEJCJSWMSLU-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN4CCCCC4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUYGMXLYXLLLU-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN4CCOCC4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSHFAGPSLVLKJ-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN4CCN(C)CC4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZNHEPLEMURGW-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN4CCCC4)nc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOXTIJHSIUFCQ-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN4CCCCC4)nc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHTXBTZCMHDHP-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N(C)c1cnc2ccc(-c3ccc(OCCCN4CCCC4)nc3F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBZKDYAYJSSGB-UHFFFAOYSA-N", "SMILES:CN1CCN(CCC(=O)Nc2ccc3c(c2)Sc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314413", "category": ["biolink:ChemicalEntity"], "name": "LARTESERTIB", "xref": ["InChIKey:WNEFOSMCGCLLJU-UHFFFAOYSA-N", "SMILES:COc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1c(F)cncc1OC)c(=O)n3C"], "synonym": ["Lartesertib", "Lartesertib", "Lartesertib", "Lartesertib", "M 4076", "M-4076", "M4076", "M-4076", "M4076"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3334621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPLMXAYKJZOTKO-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1ccc(N2C(=O)OCc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSDBFJUWANYES-NOGNSAKRSA-N", "SMILES:CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CCCCCC/C=C/CCC[C@](C)(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLGAZDAHPLOIR-RLPDZDIMSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVIHVXMWBXWGEA-DFBULROASA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALZYGOCWUAGMMY-BRNADKDGSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC2CCC2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFXWHQMBVPZJBJ-MPGNVRTMSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKBQBCGPPWXSG-BJOIAACASA-N", "SMILES:Cc1ns/c(=N\\C(=N\\c2ccccc2)c2ccccc2)n1Cc1ccc(C(=O)O)cc1"]}
{"name": "E3 ubiquitin-protein ligase RNF5", "xref": ["CHEMBL.TARGET:CHEMBL5465346"], "id": "UniProtKB:Q99942", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQTRALLUHDXTBH-ZINFLPCDSA-N", "SMILES:Cc1ns/c(=N\\C(=N\\c2ccncc2)c2ccccc2)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSOSMKUDCINYSM-ICFOKQHNSA-N", "SMILES:Cc1ns/c(=N\\c2ccccn2)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFDUBAPYJXBWOO-MRAZZECGSA-N", "SMILES:COc1cccc(Cn2c(C)ns/c2=N\\C(=N\\c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFLUHHUQEOZIBT-KUXGFVDGSA-N", "SMILES:Cc1ns/c(=N\\C(=N\\c2ccccc2)c2ccccc2)n1Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYZFQLYZABRFAZ-KUXGFVDGSA-N", "SMILES:Cc1ns/c(=N\\C(=N\\c2ccccc2)c2ccccc2)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGLQEMRGJGPHF-LDCVWXEPSA-N", "SMILES:C[C@@H](NCC1CNc2ccccc2O1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTQFLRIXWAZEU-PYUWXLGESA-N", "SMILES:C[C@@H](NCC1CN(C)c2ccccc2O1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZGHIYELZKNDA-PYUWXLGESA-N", "SMILES:C[C@@H](NCC1CN(CC(F)(F)F)c2ccccc2O1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPYFXVBGVLPBJ-PPUHSXQSSA-N", "SMILES:C[C@@H](NCC1CN(c2ccccc2)c2ccccc2O1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRPAQQIJLRSEF-YMBRHYMPSA-N", "SMILES:C[C@@H](NCC1CN(c2ccccn2)c2ccccc2O1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITAIBTXZRIKAES-PPUHSXQSSA-N", "SMILES:C[C@@H](NCC1CN(C(=O)c2ccccc2)c2ccccc2O1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIOLVWGBPTQJU-XPJVCIPQSA-N", "SMILES:C[C@@H](NCC1CN(c2cccc(C(=O)O)c2)c2ccccc2O1)c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFPUSUKMAXPTSH-XPJVCIPQSA-N", "SMILES:C[C@@H](NCC1CN(c2ccc(C(=O)O)cc2)c2ccccc2O1)c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKNJVWVZLGXEIP-DWUQZJAVSA-N", "SMILES:Cc1c(C(=O)O)cccc1N1CC(CN[C@H](C)c2cccc3ccccc23)Oc2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAUSADLOSKQINN-VAQOXHRHSA-N", "SMILES:Cc1ccc(N2CC(CN[C@H](C)c3cccc4ccccc34)Oc3ccccc32)cc1C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLKQVQEQPNLEX-HWFYOASNSA-N", "SMILES:Cc1cc(C(=O)O)cc(N2CC(CN[C@H](C)c3cccc4ccccc34)Oc3ccccc32)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOBPYZVQNKVSG-VAQOXHRHSA-N", "SMILES:Cc1ccc(C(=O)O)cc1N1CC(CN[C@H](C)c2cccc3ccccc23)Oc2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPNVZVKVYLTHO-APUUZKBCSA-N", "SMILES:C[C@@H](NCC1CN(c2ccc(F)c(C(=O)O)c2)c2ccccc2O1)c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOAKDKUEHAJQKT-HWFYOASNSA-N", "SMILES:C[C@@H](NCC1CN(c2cccc(CC(=O)O)c2)c2ccccc2O1)c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZRRIFFNQWHJS-IXBUXBJUSA-N", "SMILES:C[C@@H](NCC1CN(c2cccc(CCC(=O)O)c2)c2ccccc2O1)c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCCPOJQRWGOKZ-HWFYOASNSA-N", "SMILES:C[C@@H](NCC1CN(c2cccc(OCC(=O)O)c2)c2ccccc2O1)c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSJBTCQMDUVQU-GERLHCSGSA-N", "SMILES:C[C@@H](NC[C@H]1C[C@@H](c2cccc(C(=O)O)c2)c2ccccc2O1)c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSJBTCQMDUVQU-SWGPMWEKSA-N", "SMILES:C[C@@H](NC[C@H]1C[C@H](c2cccc(C(=O)O)c2)c2ccccc2O1)c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEJGNPGEUKIVLL-CHGXLNECSA-N", "SMILES:Cc1c(C(=O)O)cccc1[C@@H]1C[C@H](CN[C@H](C)c2cccc3ccccc23)Oc2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKFXYUMOBQSLF-UQDUAXSHSA-N", "SMILES:Cc1ccc([C@@H]2C[C@H](CN[C@H](C)c3cccc4ccccc34)Oc3ccccc32)cc1C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQIOTYQKRSJOOF-ZMMUGRJVSA-N", "SMILES:Cc1cc(C(=O)O)cc([C@@H]2C[C@H](CN[C@H](C)c3cccc4ccccc34)Oc3ccccc32)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJRTPKIQHCGLG-OLNICLAKSA-N", "SMILES:Cc1ccc(C(=O)O)cc1[C@@H]1C[C@H](CN[C@H](C)c2cccc3ccccc23)Oc2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWUESIUNQZCEJ-QFDKOOLGSA-N", "SMILES:COc1ccc([C@@H]2C[C@H](CN[C@H](C)c3cccc4ccccc34)Oc3ccccc32)cc1C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUXYIIKYHLSJZ-VAOAXWNLSA-N", "SMILES:C[C@@H](NC[C@H]1C[C@@H](c2ccc(F)c(C(=O)O)c2)c2ccccc2O1)c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKFXYUMOBQSLF-OLNICLAKSA-N", "SMILES:Cc1ccc([C@H]2C[C@H](CN[C@H](C)c3cccc4ccccc34)Oc3ccccc32)cc1C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKFXYUMOBQSLF-OSPNZVSRSA-N", "SMILES:Cc1ccc([C@@H]2C[C@@H](CN[C@H](C)c3cccc4ccccc34)Oc3ccccc32)cc1C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKFXYUMOBQSLF-DNQUPCEMSA-N", "SMILES:Cc1ccc([C@H]2C[C@@H](CN[C@H](C)c3cccc4ccccc34)Oc3ccccc32)cc1C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUZJYLLOWISNU-WXTQVCCASA-N", "SMILES:Cc1cc(N(C)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKUUNAQXXGDUMF-UHFFFAOYSA-N", "SMILES:Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPJATLSGOIBLN-GJIZVKDCSA-N", "SMILES:Cc1cc(N(C)CCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPCVEMDOUNFDAI-VBRZYZOESA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)(S)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(=O)[nH]ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFRRRQTNZPLFS-RMVKDHQSSA-N", "SMILES:O=c1[nH]ncc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5cncnc54)O[C@@H]3CO[P@@](=O)(S)O[C@@H]1[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGPZDWUCLMMWGA-OIFQAVGRSA-N", "SMILES:O=c1[nH]ncc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5ccccc54)O[C@@H]3CO[P@@](=O)(S)O[C@@H]1[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHRBHQZHPKOGV-SXGPDVAHSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1CO[C@@H]2O[P@@](=O)(S)O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)(S)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(=O)[nH]ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEESDNPZJSRILZ-LDEFLDHISA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1C[C@@H]2O[P@](=O)(S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]ncc54)[C@H](O[P@](=O)(S)OC[C@@]24C[C@H]14)[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQXOUSRXVNNFF-AZJLIAKUSA-N", "SMILES:CO[C@@H]1[C@@H]2O[P@](=O)(S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]ncc54)[C@H](O[P@](=O)(S)OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21)[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDIKEFKBKWXZAT-HGLNMCSASA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@]23CO[C@@H]1[C@@H]2O[P@](=O)(S)OC[C@H]1O[C@@H](n2cnc4c(=O)[nH]ncc42)[C@H](O[P@](=O)(S)OC3)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWAAQFAHQWLHI-UWLLIWRMSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)(S)O[C@H]2[C@H]1F)O[C@H]3n1cnc2c(=O)[nH]ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJWRBLIJWIGFA-IMMQHMKQSA-N", "SMILES:NC(=O)c1ncn([C@@H]2O[C@@H]3CO[P@@](=O)(S)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO[P@@](=O)(S)O[C@@H]2[C@@H]3O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMEYSPVSOOOGFN-AVDGVHPESA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)(S)O[C@H]2[C@H]1F)O[C@H]3n1cnc2c(=O)[nH]nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDMQNKNHZQRNKA-OSNITWMNSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@@H]3[C@H](O)[C@@H](CO[P@@](=O)(S)O[C@H]2[C@H]1F)O[C@H]3c1cnn2c(=O)[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETBVHVZGGXYJN-CFUBRYFDSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(S)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]2C1F)O[C@H]3n1cnc2c(=O)[nH]ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXGVSVNQDLWGOJ-CFUBRYFDSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(S)O[C@H]2C1F)O[C@H]3n1cnc2c(=O)[nH]ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNWNWKMISLVQT-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLCDWOVKIZMAPZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)Nc2cccc(-c3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIURLJSKBKCSMU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAXIHIXSFCZCE-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)Nc2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQHOVDFWBZTMR-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)Nc2ccc(F)cc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTXMZAJTSHRRT-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBAKQLOTJCSJX-UHFFFAOYSA-N", "SMILES:COCCOCCOc1ccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPLISCDIQJPNG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYJHSZYHBWQPAO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccccc2NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJUGOZRVZRFICX-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccc(C(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSRFHBAHNKMQSR-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccc(C(C)(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUQUIYJFQJLRU-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGPTYLNPCNVHNC-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEFITNQZMCGBTG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NCc2c(F)cccc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMKVNICRVBAGQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NCc2cc(F)ccc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNZALFBBQUAUPG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NCc2ccc(F)cc2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUZBNCPQNUFDMK-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NCc2cccc(F)c2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEPZPDOHSGVKLD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2)c(CNC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWHOEMHDLWMJAP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUGWCMSUXVODFI-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDGORPLWQZYBKZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRGANBNUOPMSD-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccccc2CNC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBFMZFWPENBAGS-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccc(C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNMRUMCFKVOHJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccc(C(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPBBAPLZQJENH-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAESTHCUZJPQGF-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTISNBALOIDBIX-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDYXSPVICNNUPJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRIMVPBLUPHQJW-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)CCl)c2ccc(OC)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYRFOZNSIDVIC-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)CCl)c2ccc3c(c2)OCO3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUIRNZWVILLCEY-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)CCl)c2ccc3occc3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYESHKJVJKPMRV-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)CCl)c2ccc3scnc3c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQBAUMPBYOTEO-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C(=O)CCl)c2ccc3c(c2)OCCO3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVCOUWRSGXFLQ-UHFFFAOYSA-N", "SMILES:O=C(CCl)N(c1ccc(F)cc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOYXVRMFVXHIGA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(C(=O)CCl)c2ccc3c(c2)OCCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMDYKRSONYPIBC-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)CCl)c2ccc3c(c2)OCCO3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKXSBJJCHBFTMB-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)CCl)c2ccc3c(c2)OCCO3)cc(OC)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQIUHIEWROFTJ-UHFFFAOYSA-N", "SMILES:O=C(CCl)N(c1ccc2c(c1)OCCO2)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFMHSNXXLLHZOU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(N(C(=O)CBr)c2ccc3c(c2)OCCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBAUHPOPSQREIF-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(N(C(=O)CBr)c2ccc3c(c2)OCCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJCYTWOKQNUIH-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)CBr)c2ccc3c(c2)OCCO3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXHXERLDLJFBM-UHFFFAOYSA-N", "SMILES:COc1c(Cl)cc(N(C(=O)CBr)c2ccc3c(c2)OCCO3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKMUVAANQXYLLV-UHFFFAOYSA-N", "SMILES:COc1cc(N(C(=O)CBr)c2ccc3c(c2)OCCO3)cc(OC)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNZRAAOAAADCKA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHUIFFTCIFDOH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(COc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMVNCAWMXWBJRH-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONQEODWFASAMP-QPJJXVBHSA-N", "SMILES:O=C(/C=C/COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIUPGZOWQKBEHV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDGJQYGMLZQBU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NO)ccc1Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVGFTAGYYNBAGB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCOc1nonc1S(=O)(=O)c1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDANZSVZHVZFQZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccc(C(F)(F)F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWJPMDGGNEXEP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(=O)n(CCc3ccccc3)c(=O)n(Cc3ccc(C(=O)NO)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGUZOXTJDMNRI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMPRXBHGFILQT-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCn1c(=O)c2ccccc2n(Cc2ccc(C(=O)NO)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXNQGMCWFTWNKG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMIAETUCWFKGKM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3O)c(=O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASDSYHJRYUYNCP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)[nH]c(=O)c3ccc(C(F)(F)F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSPZCDXOISELV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)[nH]c(=O)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCSKFUJDLHJCSZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)[nH]c(=O)c3c(Cl)cccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWMZGLVMABQUAQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)[nH]c(=O)c3cccc(Cl)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIGNSYDOCOOONY-JXMROGBWSA-N", "SMILES:O=C(NO)c1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSZUFDFPAVOIV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)[nH]c(=O)c3ccc(F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDQVOCYXLZNNTB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c(=O)[nH]c(=O)c3cc(F)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTWRJDWPUJHKT-CSKARUKUSA-N", "SMILES:Cc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGZYQEHMEGKVMD-AATRIKPKSA-N", "SMILES:Cc1nc2ccc(/C=C/CC(=O)NO)cc2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTIQZQZJOBECN-VOTSOKGWSA-N", "SMILES:CCc1nc2ccc(/C=C/CC(=O)NO)cc2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNZDCCAECAQCX-UHFFFAOYSA-N", "SMILES:O=C(CCn1c(=O)n(Cc2ccccc2)c(=O)c2ccc(Cl)cc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEQGSNTSDTFLA-UHFFFAOYSA-N", "SMILES:O=C(CCn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2425952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCPCLJRBNRLLW-UHFFFAOYSA-N", "SMILES:CCc1nc2c(Cc3ccc(C(=O)NO)cc3)cccc2c(=O)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZGAAQVFOFCQOB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(Cn2c(=O)[nH]c(=O)c3cccc(Cl)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMKKPJNWIWBWEH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZEDQXCWAGAGGW-UHFFFAOYSA-N", "SMILES:Cn1c(CCC(=O)NO)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXBWSVICDCLUCF-UHFFFAOYSA-N", "SMILES:O=C(CS)Nc1ccc(Cn2c(=O)[nH]c(=O)c3cccc(Cl)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRTISZFZZALDJX-VLSRZGDXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETONYSSYMKCKD-CRFLNCJASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPUJGORMIRYLGB-QLUCNORFSA-N", "SMILES:CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNOMNRPFYKBKSE-ZPJHLRTLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTSQWOOLRWWRL-ZPJHLRTLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSMWKCNJGUDWLS-LOJIKDBNSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCADOYBDKMCAKG-KXXJSBBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VECJFBGUJFUMHB-BBRYINCHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOXOMSZSUXSMW-WGLLSDEFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKNVJEBAUPNEBM-ZPJHLRTLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHQOGIWNBYQPBT-GRRBOJRFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNHQZDIUDHWAK-BBRYINCHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEQJIKJQVHYVBE-XKYIDLKSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIZKMZAUDAKJNN-QMGAXBRISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](N)[C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYZFNJJVQDDJO-KXXJSBBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZKOLHYJARFMKS-KXXJSBBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOAPYPDSJNOZGJ-KXXJSBBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDINRTAJLLWQFO-BBRYINCHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGXQIDHBRIXAD-KXXJSBBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRAAEHFCLVZCQP-KXXJSBBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWGLMUBDVHFJTH-IABCPXIESA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSCNQCDRMWDXLB-CRFLNCJASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFJGRVWPKJHDJ-XIQVHWFZSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBLTTHCJUGAGS-QMVCUHKSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPFKEQKJXVOEF-VLSRZGDXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUIPUZGZIMUAEB-CRFLNCJASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHUAVXBPOYSNA-KXXJSBBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMZFJLWRQNJMJ-ZPJHLRTLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOUNJURMJBIFM-ZPJHLRTLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAIKDIZIQGBLW-AJTHGGAWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQYLZKMVRUXPJ-BBRYINCHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQBKMJDHDWGSHL-KXXJSBBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PORKWXXQQUZKBG-ZPJHLRTLSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHURQRDILARETA-KXXJSBBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCIIAZWFCLORHQ-BBRYINCHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOXXTVXVWGJAF-XKYIDLKSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROITXFAPTGUBCM-KXXJSBBQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZXYGMMNZFMVLX-BBRYINCHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSZLRCIREBTJEI-IABCPXIESA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTCEWIKHHXLPM-CRFLNCJASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFKYBUJWDFLZLO-YMLTXDRCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUCYEQDNBJXRA-QMVCUHKSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJEVXJSJYBCDSR-UHFFFAOYSA-N", "SMILES:CC(C)c1n[nH]c2c(=O)[nH]c(-c3ccc(F)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMIQDDJVGIKUJA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(C(=O)Nc2cc(NC(=O)c3ccc4c(c3)c(-c3ccc(N)cc3C)nn4C)ccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWSQZNMJASJNO-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJSEODCJKONAP-UHFFFAOYSA-N", "SMILES:C=CCN1c2cccc3c2C(=Cc2cccnc21)N(C)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGYPSOMOPHSEI-UHFFFAOYSA-N", "SMILES:CC(C)=CCN1c2cccc3c2C(=Cc2cccnc21)N(C)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZHBOAQLADSMQQ-UHFFFAOYSA-N", "SMILES:CCOCCN1c2cccc3c2C(=Cc2cccnc21)N(C)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCFGJKOTGKIKG-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWINKPSUYLZQI-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGWGNYUXRINEST-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBLCMQABHHHOKU-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIICEAAZLCPDAH-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4787328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJOSBOOJFIRCSO-AWEZNQCLSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDCFSXPRCBSUFJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTEGBGJOVGYCCQ-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCFQTCVVDUWIG-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPONQPCXLRZQY-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJFUAKWEQYFJPM-UHFFFAOYSA-N", "SMILES:CCNc1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHBJCKGDPMGZOK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTGBSWEJQEYIP-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(NS(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVNRGNFLGBXQPZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNc1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLURIYDBKUPAAA-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCCRQHOZDLHHMW-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTHCANWKFWZEW-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVJWKJEBQFWEI-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(C(=O)Nc2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYEFDIONIKRUHF-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cccc(CN2c3ccccc3C=C3c4c(cccc42)C(=O)N3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHQNYFRNSGHDGB-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1ccccc1N3Cc1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVRYCRQNJOEQZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(CN2c3ccccc3C=C3c4c(cccc42)C(=O)N3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCFSBGCJBRHFS-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)c2cccc(CN3c4ccccc4C=C4c5c(cccc53)C(=O)N4C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKDWMBXFDGYBX-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)c2cccc(CN3c4ccccc4C=C4c5c(cccc53)C(=O)N4C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYPYBIJEGBNLX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1OC)Oc1c(OC)ccc3c1C(=C2)N(C)C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5408658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOJWBYCZLQKOY-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSUIVDJTFWZNX-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHVWXAZJZSNKAO-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBQXBGBYGJTAU-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDLKLEPMEQSCJD-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQFPBHDZNLGBHK-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMAKGRYHVPKWDI-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNIZYPJMBBQBU-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUVAYIHMIXQULZ-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDKAWYOSZRRJQZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN1c2cccc3c2C(=Cc2cccnc21)N(C)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHYZBGPKYJIYFR-UHFFFAOYSA-N", "SMILES:COc1cc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVQPTBUCIOQWBP-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHPIMKSTJPEFJ-PXMSFUJDSA-N", "SMILES:Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3CCCCC3C(=O)NCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2Cl)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNEZZGJJHBVGRK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(CC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLVRXZXLQFSMLL-UHFFFAOYSA-N", "SMILES:COC(=O)CCN1CCc2cc(OCc3ccc(OC(C)C)c(C#N)c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBJLSYUFYADEEX-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(CCC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRSUFIHLAITLI-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(CCCC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYIZMURLNQDVQJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(C(=O)CC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBEGFORYIXPHRY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(C(=O)CCC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBBKHUOKDMYAON-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(C(=O)CCC(N)=O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTXSGGSWRLVNSJ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC(=O)N1CCc2cc(OCc3ccc(OC(C)C)c(C#N)c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNLIMKDJTSWQAM-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCC(=O)N1CCc2cc(OCc3ccc(OC(C)C)c(C#N)c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZUNCNWKZRLZLZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(S(=O)(=O)CC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBUKJORKOOVBFG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(S(=O)(=O)CCO)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCLZSTRZJZMCAZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(S(=O)(=O)CCC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKILHKSDIYORLW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(CCC(=O)O)C3C)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBEOCSVXEQLXAX-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(C(=O)CCC(=O)O)C3C)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRJJZWFBRENLF-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(n2)CCN(S(=O)(=O)CCC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTYSPSLYQFEUEO-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCCN(S(=O)(=O)CC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIADBGXEUGJSNR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCCN(S(=O)(=O)CCO)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBHBXUPRNNLGHG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCCN(S(=O)(=O)CCC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLDOUCBCGDPFB-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCCN(S(=O)(=O)CCCO)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVJYCJVNVCEHE-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)OCCN(S(=O)(=O)CC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUQIYPXZJAZHJN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)OCCN(S(=O)(=O)CCO)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBQHIDJYQKQNE-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)OCCN(S(=O)(=O)CCC(=O)O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QESDWIMLFYOTSF-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)OCCN(S(=O)(=O)CCCO)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFOPVMRZZXBYRC-UHFFFAOYSA-N", "SMILES:COC(=O)CCCN1CCc2cc(OCc3ccc(OC(C)C)c(C#N)c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJAAFLKVGUBZQQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(C(=O)CCO)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNCACITYCFNIU-UHFFFAOYSA-N", "SMILES:CNC(=O)CCC(=O)N1CCc2cc(OCc3ccc(OC(C)C)c(C#N)c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCXAMVMWVOWNNN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(C(=O)CCC(=O)N(C)C)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLQAYGZRSRTBFW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(C(=O)CCNS(C)(=O)=O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILKBQJNOORBLJN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(C(=O)CCCNS(C)(=O)=O)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYHZAYWSXVTRT-UHFFFAOYSA-N", "SMILES:COC(=O)CS(=O)(=O)N1CCc2cc(OCc3ccc(OC(C)C)c(C#N)c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZUUBXLFZRGLS-UHFFFAOYSA-N", "SMILES:COC(=O)CCS(=O)(=O)N1CCc2cc(OCc3ccc(OC(C)C)c(C#N)c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNLPHSOYPAGTHC-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(S(=O)(=O)CCCO)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBNLBOPENWNTJ-UHFFFAOYSA-N", "SMILES:CNC(=O)CCS(=O)(=O)N1CCc2cc(OCc3ccc(OC(C)C)c(C#N)c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHHMTLURBYHCZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(S(=O)(=O)CCC(=O)N(C)C)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXBRLTZVJXZPT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(S(=O)(=O)CCC(=O)O)C3C)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBAXRHMAEHMRQM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCN(S(=O)(=O)CCCO)C3C)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCWXJXZKRGAEA-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(n2)CCN(S(=O)(=O)CCCO)C3)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQDNCUSPMHZPU-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(CCCC(=O)NO)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCUCAALIWDSQV-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(CCCCC(=O)NO)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAKSFLLKWXWXNG-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(CCCCCC(=O)NO)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTOISCZIPKICJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(CCCCCCC(=O)NO)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQSAYNBSBOASON-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(Cc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZGLYFZSNCVTP-RMKNXTFCSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(Cc1ccc(/C=C/C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQQCNXIMCSZZCY-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(C(=O)CCc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPXVOPWADLXFAL-RUDMXATFSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(C(=O)/C=C/c1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVKABCISIRNZDQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(C(=O)COc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUJYCBJVVRQGSW-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(CCOc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZNDXHSSBJFBR-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(CC(=O)Nc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDOETADEGIOAS-UHFFFAOYSA-N", "SMILES:COc1cccc2oc3c(c12)CCN(CC(=O)Nc1ccc(C(=O)NO)cc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLOBRTZNHHPMQH-UHFFFAOYSA-N", "SMILES:COc1cc2oc3c(c2cc1OC)CCN(CC(=O)Nc1ccc(C(=O)NO)cc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVWLUSCXULPDKP-UHFFFAOYSA-N", "SMILES:O=C(CN1CCc2c(oc3cc4c(cc23)OCO4)C1)Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZPANZAMUBPRM-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c(oc2c1OC)CN(CC(=O)Nc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQDOHHBEDNHPD-UHFFFAOYSA-N", "SMILES:O=C(CN1CCc2c(oc3cc(O)ccc23)C1)Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCJRGATSJCGED-UHFFFAOYSA-N", "SMILES:COc1cc2oc3c(c2cc1F)CCN(CC(=O)Nc1ccc(C(=O)NO)cc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXOHYNPHZZHSZ-UHFFFAOYSA-N", "SMILES:COc1cc2oc3c(c2cc1Cl)CCN(CC(=O)Nc1ccc(C(=O)NO)cc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHZZBWXSVRFTL-UHFFFAOYSA-N", "SMILES:COc1cc2oc3c(c2cc1C)CCN(CC(=O)Nc1ccc(C(=O)NO)cc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITXUXKXTVDKBBO-ZDUSSCGKSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN([C@@H](C)C(=O)Nc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBROHHVEWJNNM-DEOSSOPVSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN([C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUMGARRNERWLFZ-FQEVSTJZSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN([C@@H](CCSC)C(=O)Nc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYDVLYDSVIYPK-DEOSSOPVSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN([C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INQLKJPLRJINGT-QFIPXVFZSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2CCc3c(oc4cc5c(cc34)OCO5)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJQVZANYFVJOH-QHCPKHFHSA-N", "SMILES:COc1cc2oc3c(c2cc1F)CCN([C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)NO)cc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMUQBONRIUBLCJ-UHFFFAOYSA-N", "SMILES:O=C(CN1CCc2c(oc3ccccc23)C1)Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULYKAVVLAQSHG-RUDMXATFSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN(CC(=O)Nc1ccc(/C=C/C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNVBNLXGGKCGPC-BULTVDLSSA-N", "SMILES:COc1ccc2c3c(oc2c1)CN([C@@H](Cc1ccccc1)C(=O)Nc1ccc(/C=C/C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHYYXYBDKWKIGP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(F)c(Cl)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAYXVHFOFPNFQV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)Nc2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQLYLVPBOSXDN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)Nc2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUXEEBDSSIQPA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)Nc2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHICSFRZQKAEBQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(NC(=O)Nc3cccc(S(N)(=O)=O)c3)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHKPFAGTOODDJW-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(NC(=O)Nc3cccc(S(N)(=O)=O)c3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBPLZQLNIALAI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Nc2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAKUGUCGXZVQEE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Nc2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPXSEYTSFPPBI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Nc2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTCGIYYQCMFLBU-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIXVQKPLYKBLNK-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECNGWNECSETNF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc2-c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVKUNAKTFMAUJW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)Nc2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQFRNPZZFQLLL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)Nc2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMVFSWBOHODCZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)Nc2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZJLEHFHCWNROI-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBYVQKRVYGWAP-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKUXJTUFYBZINZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDWYFNRQIGXJP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccccc1NC(=O)Nc1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWNQVFPSDTXSJU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccccc1NC(=O)Nc1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COOFUVUXKTVIPJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccccc1NC(=O)Nc1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWFKWUVNXOXPQY-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(NC(=O)Nc3ccccc3S(N)(=O)=O)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKKMRTDTKPIQDA-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(NC(=O)Nc3ccccc3S(N)(=O)=O)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDSMHBYMLGSEU-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(NC(=O)Nc3ccccc3S(N)(=O)=O)nc2-c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRBKWQJBCXMXIW-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(NC(=O)Nc3cccc(S(N)(=O)=O)c3)nc2-c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZRTQDMVQKJEM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCSCKMALZSJPEU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUQHZNAHKJBTSY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWQFSXGSTZKRX-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(NC(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)nc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFUVWHFUJMBIL-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(NC(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDJXCSVBXSCHE-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(NC(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)nc2-c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJDKAAHKNOZPT-LQFQNGICSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCN(C(=O)c4nc(-c5ccc6c(c5)N(C5CCCC5)[C@H](C)C(=O)N6C)n(-c5ccc(C)cc5)n4)CC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMXZQXYPJYTEK-HXUWFJFHSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCNCC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMXZQXYPJYTEK-FQEVSTJZSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCNCC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJDKAAHKNOZPT-TYHGNQNSSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCN(C(=O)c4nc(-c5ccc6c(c5)N(C5CCCC5)[C@@H](C)C(=O)N6C)n(-c5ccc(C)cc5)n4)CC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKHGPBDUAQYJAL-RZDWPUGNSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N1CCn2cc(-c3ccc4c(c3)CCCC4)nc2[C@@H]1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYDIIZQNIOAGGQ-SAABIXHNSA-N", "SMILES:O=c1c(Nc2ccccc2)c(N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWMNQDKBEAQPRN-JCNLHEQBSA-N", "SMILES:O=c1c(Nc2ccccc2)c(N[C@H]2CC[C@H](Oc3ccc([N+](=O)[O-])cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKPLHOTOSSHSK-UAPYVXQJSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](Nc3c(Nc4ccccc4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STCUKKBOWOZYCA-QAQDUYKDSA-N", "SMILES:CS(=O)(=O)c1ccc(O[C@H]2CC[C@H](Nc3c(Nc4ccccc4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYOVTILUBYDPY-RZDIXWSQSA-N", "SMILES:COc1cccc(Nc2c(N[C@H]3CC[C@H](Oc4ccc(C(F)(F)F)cc4)CC3)c(=O)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKAYPSSCWQWRH-CZIWCDLHSA-N", "SMILES:COc1cccc(Nc2c(N[C@H]3CC[C@H](Oc4ccc([N+](=O)[O-])cc4)CC3)c(=O)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDLWDNFGNVFDC-RUCARUNLSA-N", "SMILES:COc1cccc(Nc2c(N[C@H]3CC[C@H](Oc4ccc(C#N)cc4)CC3)c(=O)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACZMPPDJHPTXDD-JCNLHEQBSA-N", "SMILES:COc1cccc(Nc2c(N[C@H]3CC[C@H](Oc4ccc(S(C)(=O)=O)cc4)CC3)c(=O)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVKOKRYGUKYJJ-XGAFWQRZSA-N", "SMILES:CC(C)(C)c1cccc(Nc2c(N[C@H]3CC[C@H](Oc4ccc(C(F)(F)F)cc4)CC3)c(=O)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMPYFZNQLMVGW-IRJFHVNHSA-N", "SMILES:CC(C)(C)c1cccc(Nc2c(N[C@H]3CC[C@H](Oc4ccc([N+](=O)[O-])cc4)CC3)c(=O)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJXVQOWCMVWLTB-XYWHTSSQSA-N", "SMILES:CC(C)(C)c1cccc(Nc2c(N[C@H]3CC[C@H](Oc4ccc(C#N)cc4)CC3)c(=O)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCBYOORLRVYNEF-KESTWPANSA-N", "SMILES:CC(C)(C)c1cccc(Nc2c(N[C@H]3CC[C@H](Oc4ccc(S(C)(=O)=O)cc4)CC3)c(=O)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYPDMAJHFWYOJA-RZDIXWSQSA-N", "SMILES:O=c1c(Nc2cccc(F)c2)c(N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBEMCOLOHJFFHL-CZIWCDLHSA-N", "SMILES:O=c1c(Nc2cccc(F)c2)c(N[C@H]2CC[C@H](Oc3ccc([N+](=O)[O-])cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSBDKVYHRHTLIS-RUCARUNLSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](Nc3c(Nc4cccc(F)c4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNQAVRKCAMUBQ-JCNLHEQBSA-N", "SMILES:CS(=O)(=O)c1ccc(O[C@H]2CC[C@H](Nc3c(Nc4cccc(F)c4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUPDHENWVBUEPA-RZDIXWSQSA-N", "SMILES:O=c1c(Nc2cccc(Cl)c2)c(N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMVUTQAWQPBVOK-CZIWCDLHSA-N", "SMILES:O=c1c(Nc2cccc(Cl)c2)c(N[C@H]2CC[C@H](Oc3ccc([N+](=O)[O-])cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOZPSRDJWYETIO-RUCARUNLSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](Nc3c(Nc4cccc(Cl)c4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHNPWHEOSIWKO-JCNLHEQBSA-N", "SMILES:CS(=O)(=O)c1ccc(O[C@H]2CC[C@H](Nc3c(Nc4cccc(Cl)c4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGWSWERVYAPIRD-QAQDUYKDSA-N", "SMILES:CS(=O)(=O)c1ccc(O[C@H]2CC[C@H](Nc3c(Nc4ccc(C(F)(F)F)cc4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZMCTXPHHQIDM-CZIWCDLHSA-N", "SMILES:O=c1c(Nc2cccc(C(F)(F)F)c2)c(N[C@H]2CC[C@H](Oc3ccc([N+](=O)[O-])cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCGVFRSLVFELH-RUCARUNLSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](Nc3c(Nc4cccc(C(F)(F)F)c4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQAZXRGYOBZCL-JCNLHEQBSA-N", "SMILES:CS(=O)(=O)c1ccc(O[C@H]2CC[C@H](Nc3c(Nc4cccc(C(F)(F)F)c4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOSQAWIFWLIQB-UAPYVXQJSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](Nc3c(Nc4ccc(C(F)(F)F)cc4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGKUHNPCHSHPAJ-JCNLHEQBSA-N", "SMILES:O=c1c(Nc2ccc(C(F)(F)F)cc2)c(N[C@H]2CC[C@H](Oc3ccc([N+](=O)[O-])cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRNVNCARQPJSS-SAABIXHNSA-N", "SMILES:O=c1c(Nc2ccc(C(F)(F)F)cc2)c(N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXMCKTCGFZQCIF-SHTZXODSSA-N", "SMILES:CS(=O)(=O)c1ccc(O[C@H]2CC[C@H](Nc3c(Nc4ccccc4C(F)(F)F)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMBPHMQADIMAJ-JCNLHEQBSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](Nc3c(Nc4ccccc4C(F)(F)F)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQIDKOWZHWTGE-CTYIDZIISA-N", "SMILES:O=c1c(Nc2ccccc2C(F)(F)F)c(N[C@H]2CC[C@H](Oc3ccc([N+](=O)[O-])cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZSCMSLLWFYAMG-KOMQPUFPSA-N", "SMILES:O=c1c(Nc2ccccc2C(F)(F)F)c(N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGVNQTUMRBLZCY-RZDIXWSQSA-N", "SMILES:O=c1c(Nc2cccc(C(F)(F)F)c2)c(N[C@H]2CC[C@H](Oc3ccc(C(F)(F)F)cc3)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYDUAMACJGQTQN-RUCARUNLSA-N", "SMILES:N#Cc1cc(Nc2c(N[C@H]3CC[C@H](Oc4ccc(C(F)(F)F)cc4)CC3)c(=O)c2=O)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVLXRNMLANHKK-RZDIXWSQSA-N", "SMILES:N#Cc1cc(Nc2c(N[C@H]3CC[C@H](Oc4ccc([N+](=O)[O-])cc4)CC3)c(=O)c2=O)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCUDPUKCGMXNGF-IRJFHVNHSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](Nc3c(Nc4cc(C#N)cc(C(F)(F)F)c4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPVIKGJLRXXOC-SAABIXHNSA-N", "SMILES:CS(=O)(=O)c1ccc(O[C@H]2CC[C@H](Nc3c(Nc4cc(C#N)cc(C(F)(F)F)c4)c(=O)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHAUNHUVQINHQV-MDZDMXLPSA-N", "SMILES:COc1cc(OC)c(C(=O)N2CCC(CCCCNC(=O)/C=C/c3cccnc3)CC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPOWQTZRIIHKJV-VAWYXSNFSA-N", "SMILES:COc1ccccc1C(=O)N1CCC(CCCCNC(=O)/C=C/c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEROKHHEPIDBFC-VAWYXSNFSA-N", "SMILES:COc1cccc(C(=O)N2CCC(CCCCNC(=O)/C=C/c3cccnc3)CC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILCWCURIRPQDGE-VAWYXSNFSA-N", "SMILES:COc1cccc(OC)c1C(=O)N1CCC(CCCCNC(=O)/C=C/c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUPGDHGPIOUEGU-VAWYXSNFSA-N", "SMILES:O=C(/C=C/c1cccnc1F)NCCCCC1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSAWFZYJXYMDY-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNCYBDSBAWRIM-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBHSDQNBMWSKU-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(Br)cc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZZQERCJNXUSH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKQZRBPODKZQGN-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGNCDLWGLSRLPO-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQJHNAVAJWPNX-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQIUVLGXUYAIN-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKONAGAIXPXOF-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(F)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZYCKDDEZWEITK-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(F)cc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRLLBJFWKYRHBQ-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(Cl)cc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNLXDCEFOGZKX-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBJKJSNNNKCJX-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBZYWYMAYTPOE-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGOPXTSIOCHJAP-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXUOKGSNSBXMC-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEKRYFILGNLFU-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZBZRHOMVBWNKL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFFSXCHPOGNWKL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Br)cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZBUAMQMYUQSD-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXMNSONDSOGEK-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJROXZDPQLMOHT-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFNASODICHIRA-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQQLLXQVBRMJG-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOMIIYWXNURMC-TXEPZDRESA-N", "SMILES:Cl.Cl.N[C@@H](Cc1ccc(OCCN2CCN(c3nsc4ccccc34)CC2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARLQDYOTJGTER-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(OCCN2CCN(c3nsc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOMIIYWXNURMC-JQDLGSOUSA-N", "SMILES:Cl.Cl.N[C@H](Cc1ccc(OCCN2CCN(c3nsc4ccccc34)CC2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSHDWWNKPDSRKC-TXEPZDRESA-N", "SMILES:Cl.Cl.N[C@@H](Cc1ccc(OCCN2CCN(c3noc4cc(F)ccc34)CC2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBTVLMAJFNQQSI-NTEVMMBTSA-N", "SMILES:Cl.Cl.N[C@@H](Cc1ccc(OCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOSVAPZNOULBNR-FGJQBABTSA-N", "SMILES:Cl.Cl.N[C@@H](Cc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAYNDLGELLZQFP-IKXQUJFKSA-N", "SMILES:Cl.Cl.N[C@@H](Cc1ccc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSUHMZCOSMNOBG-LPPOUWJRSA-N", "SMILES:Cl.Cl.N[C@@H](Cc1ccc(OCC(O)CN2CCC(c3noc4cc(F)ccc34)CC2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWXICLLNWOYQF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)NCC4CCNCC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNAXHHZZWGGTDG-JOCHJYFZSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC[C@@H](N)C4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZSYVPYRMGUZCR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)NC4CCNC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNAXHHZZWGGTDG-QFIPXVFZSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC[C@H](N)C4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLKMSLCBCRYIC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIZQTNNQZPSBEB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(CN)CC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFVTGNEAOXFFU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)NC4CCCNC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWWUGOSHFYJRAP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)NCC4CCNC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFWOLBGSZCRRGA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCNCC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPXZHASKYBGHS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)NC4CCNCC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWLJKTXEPIKRM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)NCCN)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBULGWMUJPRNSR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)NCCCN)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNFNKGYMQJYHO-YHBQERECSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N[C@H]4CC[C@H](N)CC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNNKQIKXVFRLSK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDUHCJTXGKOCK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFCKIXQSLPJSSN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(C(=O)N4CCC(N)CC4)c[nH]c3cc2-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEMBYMJVKDCTBX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(C(=O)N4CCC(N)CC4)c[nH]c3cc2-c2ccoc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMDNEOBUTJCILK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMXOCXBXNUVJR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc3c(C(=O)N4CCC(N)CC4)c[nH]c3cc2-c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDNDVOACOBCFY-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPQUQGQNMGKMNE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUOYXSMRMPZFG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMZTHOEOUQZOQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPRPGJBCAWJSL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHSOQJCCCGGRD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIYDYSIYIPRYNK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMXOEPMDSDAHAJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNAZAJHJRTTOU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUDOIBLHVBEQG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)cc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPVGYGPULXXCIK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)N4CCC(N)CC4)c3cc2-c2ccc(C#N)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTKQHKUIFQOBKG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3[nH]cc(C(=O)NC4CCNC4)c3cc2-c2ccc(C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUDHZJPRPKLMH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2-c2ccc(C(N)=O)cc2)c(C(=O)NC2CCNCC2)cn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJGRNUFVEDEBDX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2-c2ccc(C#N)cc2)c(C(=O)N2CCC(N)CC2)cn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVYWYNZPSIPHU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2-c2ccc(C#N)cc2)c(C(=O)N2CCC(N)CC2)cn3Cc2cccc(C#N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKPGWMKQUSRPU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2-c2ccc(C#N)cc2)c(C(=O)N2CCC(N)CC2)cn3S(=O)(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOCEEBWPPZWHJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CS(=O)(=O)n2cc(C(=O)N3CCC(N)CC3)c3cc(-c4ccc(C#N)cc4)c(-c4ccc(C)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVGWJKUIRBCGMX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2-c2ccc(C#N)cc2)c(C(=O)N2CCC(N)CC2)cn3S(=O)(=O)c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNVQBUIIJFTWBG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2-c2ccc(C#N)cc2)c(C(=O)N2CCC(N)CC2)cn3Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTCFBORGRODAF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(C(=O)N3CCC(N)CC3)c3cc(-c4ccc(C#N)cc4)c(-c4ccc(C)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUYRBHTNJQDGW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2-c2ccc(C#N)cc2)c(C(=O)N2CCC(N)CC2)cn3Cc2cccc(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCGWOZASMPVAKS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2-c2ccc(C#N)cc2)c(C(=O)N2CCC(N)CC2)cn3Cc2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBFMAZFHAVQBB-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)N2CCC(N)CC2)c2cc(-c3ccc(C#N)cc3)c(-c3ccc(C)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWFLFCEFPYHCY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2-c2ccc(C#N)cc2)c(C(=O)N2CCC(N)CC2)cn3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSLAPRJSHXKSO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2-c2ccc(C#N)cc2)c(C(=O)N2CCC(N)CC2)cn3C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMPWZUXDOSPNGF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)n2cc(C(=O)N3CCC(N)CC3)c3cc(-c4ccc(C#N)cc4)c(-c4ccc(C)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZWKLKUZDAPHB-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(C(=O)Nc3ccc(C)cc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZKWEEACKZDOBO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1cc(=O)c2cc(O)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDGNTUSAUMVIP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQCXKBJDFZOHD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1coc2ccc(O)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUMJRRSYRBKVST-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc(=O)c2cc(O)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMJFSOEZAIOST-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZLYAEMRJBJDOY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1cc(=O)c2cc(O)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDXRJZJYNSHTSF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(O)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTATTJAASBNSZ-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(C(=O)Nc3ccc(C)c(C)c3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNLEHRYCORFGU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1coc2ccc(O)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPZHFAJWLIVENC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2coc3ccc(O)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRULBHNONYLNZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1coc2ccc(O)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBNBCSOZBAAIS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1coc2ccc(O)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGRIIIESGRINI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2coc3ccc(O)cc3c2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUYFCFMPZALXJV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1coc2cccc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUGRUXJOZQVYJD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2coc3cccc(O)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXRHKFNLYBYRCV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1coc2cccc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKHSBWZZJJZJE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1coc2cccc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZPQAZGLLZDJO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1coc2cccc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUVNZARJGHRFT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2coc3cccc(O)c3c2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZDTVKIPXTSBQ-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKYOQADGFPQLG-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(C(=O)Nc3ccc(C)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4102366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRBKCJFVNSNOQ-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(C(=O)Nc3ccc(O)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBYQAGZRVJPRX-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSZJFLPPDMKDF-UHFFFAOYSA-N", "SMILES:COc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIJSJDPZQOKXSS-UHFFFAOYSA-N", "SMILES:N=C(NC(=O)OCc1ccccc1)NC(=O)c1ccc(C(=O)NCc2ccc(NC(=O)OCc3ccccc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFGZMAJSQQAAD-UHFFFAOYSA-N", "SMILES:N=C(NC(=O)OCc1ccccc1)NC(=O)c1ccc(C(=O)OCc2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWCNLNZVMFZUAJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCOCC5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOPNWRKWJIIJF-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCN(C)CC5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKATYFXKESRBKI-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(NC5CCOCC5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWZWDWXXGOCUAX-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(NCCN5CCOCC5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMFWGZRYWMLFK-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCC(F)(F)CC5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAYZHLWLKUEBGW-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCCCC5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPUIQGGMKQUMJK-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCOC(F)(F)C5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHYATIMNEAHQSC-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCCC5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVQFJCUEOKJFY-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCOCC5)nc(N5CCC(F)(F)CC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIMBNRMWHJREQ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCOCC5)nc(N5CCOC(F)(F)C5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYBLAXWPBPMRO-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCOCC5)nc(N5CCC(N(C)C)CC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MACJNDQJQSNDBA-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCOCC5)nc(N5CCCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAAGEBYYMASSIF-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCOCC5)nc(N5CCCCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIPVJSDYLNSMFZ-ROUUACIJSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(N5CCOC[C@@H]5C)nc(N5CCOC[C@@H]5C)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOWFZYWUICZAR-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3nc(-c4ccncc4)nc(N4CCOCC4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFHFSGNQIUMPL-UHFFFAOYSA-N", "SMILES:CN1CCc2c(sc3nc(-c4ccc(N)cc4)nc(N4CCOCC4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSLVTWZAUACRT-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccncc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSJUVDYPNJTIL-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(N)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPGUBWYZQEYLW-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6ccccc6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXVJCQECLUSPP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CN(C(=O)c2cc(C(C)C)c(O)cc2O)CC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXJGTHPZVGWZCK-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4c5c(sc4n3)CN(C(=O)c3cc(C(C)C)c(O)cc3O)CC5)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMSKSNXKZBXXBE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4c5c(sc4n3)CN(C(=O)c3cc(C(C)C)c(O)cc3O)CC5)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIWGCIMRLZYQL-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6ccccc6Cl)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWUWMDTZJHVLSC-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6cccc(Cl)c6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGBSPWUKYCZIRN-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6ccc(Cl)cc6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGMNTMSLJNSKJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6ccccc6F)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZORVQBQDJRQHAZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6cccc(F)c6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUPBCJOYIMXJH-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6ccc(F)cc6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPHZMYALYMLQQT-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6cccc(C(F)(F)F)c6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPTRVCYFXYRKCB-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6ccc(C(F)(F)F)cc6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPZYJMSMWUBLDN-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6cc(F)cc(F)c6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPHYKKVBFGLGJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6cc(Cl)cc(Cl)c6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLXJJAEFPYDCK-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)Nc6ccc(F)c(Cl)c6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAIIOTCOJGKCRO-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CN(C(=O)c2cc(C(C)C)c(O)cc2O)CC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZDDVBLZKQSPTN-UHFFFAOYSA-N", "SMILES:CCNC(=O)N(C(=O)NCC)c1ccc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CN(C(=O)c2cc(C(C)C)c(O)cc2O)CC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKLXQRKPPDKON-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)N6CCOCC6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOOIGGFFLFESB-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3c(sc4nc(-c5ccc(NC(=O)N6CCCCC6)cc5)nc(N5CCOCC5)c34)C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZSNHOHSRSXCF-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(Nc3nc(Oc4cccc5ccccc45)nc4c3ncn4C3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNDBVZUMLVHSAK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(C2CCCCC2)c2nc(Oc3cccc4ccccc34)nc(Nc3ccc(N4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKTZMACQBWKTEA-LOSJGSFVSA-N", "SMILES:O[C@@H]1CCC[C@H](n2cnc3c(Nc4ccc(N5CCOCC5)cc4)nc(Oc4cccc5ccccc45)nc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPJDDWZJVOMTI-UHFFFAOYSA-N", "SMILES:OC1CCN(c2ccc(Nc3nc(Oc4cccc5ccccc45)nc4c3ncn4C3CCCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLIXVDIJGWTJO-UHFFFAOYSA-N", "SMILES:Oc1cc(N2CCOCC2)ccc1Nc1nc(Oc2cccc3ccccc23)nc2c1ncn2C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTNQPDDXPWSIM-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVDCUGAQAFKQE-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(Nc3nc(Oc4cccc5ccccc45)nc4c3ncn4C3CCCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSANOAUWIHBGS-UHFFFAOYSA-N", "SMILES:c1ccc2c(Oc3nc(Nc4ccc(-c5cccc6ccccc56)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPUURZJZQVZCI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(F)SC(c3ccc(Cl)cc3)=NC2(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEKZUDBKPMTTEV-UHFFFAOYSA-N", "SMILES:FC1(F)N=C(c2ccc(Cl)cn2)SC1(F)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSJRRVLYHOOSCT-UHFFFAOYSA-N", "SMILES:FC1(F)N=C(c2ccccn2)SC1(F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLMQXOBDTNQDQR-UHFFFAOYSA-N", "SMILES:FC1(F)N=C(c2ccccn2)SC1(F)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLSGTNKUZVCKDQ-UHFFFAOYSA-N", "SMILES:FC1(F)N=C(c2ncccn2)SC1(F)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTNHDXOJDMABS-UHFFFAOYSA-N", "SMILES:FC1(F)N=C(c2ccc(Br)cc2)SC1(F)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNORYMMFBVDIJU-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(C2=NC(F)(F)C(F)(c3ccc(Cl)cc3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPYAUMRQFPYWRD-UHFFFAOYSA-N", "SMILES:CC1(F)N=C(c2ccc(Cl)cc2)SC1(F)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGXRHIQXADSDH-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWIRSMDIIXNJAU-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUIGFYWMQAYTBT-UHFFFAOYSA-N", "SMILES:OCc1cc(O)cc(Cl)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5408407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWWMIHWIAQHISI-ATRFCDNQSA-N", "SMILES:CCC1=C[C@@H](O)[C@@H](O)[C@H](Cl)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5414243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCOHESLZOBFSQ-UHFFFAOYSA-N", "SMILES:O=Cc1cc(O)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWIULJOSWPMYFE-UHFFFAOYSA-N", "SMILES:O=C(OCc1cc(O)cc(Cl)c1O)c1cnccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5434623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBBPWPOJZWZHD-UHFFFAOYSA-N", "SMILES:Oc1cc(Cl)c(O)c(COCc2cc(O)cc(Cl)c2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5411616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKVGDWBXBDEBC-JTNHKYCSSA-N", "SMILES:O=C1C(COCc2cc(O)cc(Cl)c2O)=C[C@@H](O)[C@@H](O)[C@@H]1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5422814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFITZFAWPKTKI-FDOIEUKUSA-N", "SMILES:Cc1cc2c(c(=O)o1)C[C@@H]1C(=O)C(Cl)=C[C@H](O)[C@H]1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5438984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQPAQJQVNMXAE-ZLKJLUDKSA-N", "SMILES:O=C1C(Cl)=C[C@H](O)[C@@H](O)[C@@]12CCc1cc(O)cc(Cl)c1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5439838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQWVMIBHMPPJN-NILFDRSVSA-N", "SMILES:CO[C@@H]1[C@@H](O)C=C(Cl)C(=O)[C@]12CCc1cc(O)cc(Cl)c1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5397355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQPAQJQVNMXAE-GDLCADMTSA-N", "SMILES:O=C1C(Cl)=C[C@H](O)[C@@H](O)[C@]12CCc1cc(O)cc(Cl)c1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5417827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGQPAQJQVNMXAE-LEWSCRJBSA-N", "SMILES:O=C1C(Cl)=C[C@H](O)[C@H](O)[C@@]12CCc1cc(O)cc(Cl)c1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5395161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RETFKIWRCDLFNX-GIMBAOAISA-N", "SMILES:C[C@H]1C[C@H](O)[C@@H](O)C[C@H]1OCc1cc(O)cc(Cl)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5407429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXWUGAGAQKSORM-GZFGJDTESA-N", "SMILES:C[C@H]1C[C@H](O)[C@@H](OCc2cc(O)cc(Cl)c2O)C[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5399240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTHVGMGPLZSWNJ-GZFGJDTESA-N", "SMILES:C[C@H]1C[C@H](OCc2cc(O)cc(Cl)c2O)[C@@H](O)C[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5410696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPEPJYGJQDLXLK-LVXYXVKQSA-N", "SMILES:O=C1C(Cc2cc(O)cc(Cl)c2O)=C[C@H](O)[C@@H](O)[C@@]12CCc1cc(O)c(Cl)c(Cl)c1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5414854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDOKFXLNMPHFT-WYDQCIBASA-N", "SMILES:CC1=C[C@@H](O)[C@@H](O)[C@H](Cl)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBALOUSRCIXTB-FBIMIBRVSA-N", "SMILES:CCCCO[C@@H]1C(=O)C(C)=C[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVJUFGRWCOUNI-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)c(O)c(Cl)c1)n1cc(Br)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKOHSUSNXIUBFW-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2c(Cl)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBPSRXLNHBRBMD-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)c(O)c(Cl)c1)n1ncc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYNCNZJQZOKFM-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTLSITZPBGUVBU-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGKWBFVSJFNNCD-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2ccncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCLNOVLIWJMOR-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCc2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRVQTQCZMLNNKD-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2cnccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJCREHZGITZMY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(cnn2C(=O)c2cc(Cl)c(O)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXWTVERSFABTAS-UHFFFAOYSA-N", "SMILES:CC1Cc2ccccc2N1C(=O)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUMSIUVXXSRLX-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Br)c(O)c(Br)c1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPAGXTZTTVAQE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)n2ccc3cccnc32)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBCOMFCBMSVJV-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)n2ccc3cccnc32)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQNHZHLKWBNJJY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(F)c1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGGFYJQNZFWHJP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)n2ccc3cccnc32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHRJLVPPLIKDFW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(Br)c1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STVULEURGKZFBF-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)n2ccc3cccnc32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNMYWOQEFZKEHV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(Cl)c1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBWVKQHQMHUDW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)cc1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPLHBYUYLVEBRL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c([N+](=O)[O-])c1)n1ccc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDBAVOMSRFQENP-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCNC2CCN(Cc3ccccc3)CC2)c2ccc(-c3cccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPOVEFYHCERDZ-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(NCc3ccccc3)CC2)c2ccc(Br)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHMQSJBOLSPVLM-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCOCC2)c2ccc(-c3cccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGAACRJYBFPKCH-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(NCc3ccccc3)CC2)c2ccc(-c3cccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGVJHFSVFGFSCK-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(NCc3ccccc3F)CC2)c2ccc(-c3cccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLCLLNWPEADTOA-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(NCc3ccccc3)CC2)c2ccc(-c3ccncc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSGZPLRXHQAFOC-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(NCc3cccc(F)c3)CC2)c2ccc(-c3cccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINTUFHPKPPXIW-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(NCc3ccc(F)cc3)CC2)c2ccc(-c3cccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYYQHFFUHYQDAT-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC2CCN(CCCOc3cc(=O)oc4cc(-c5cccnc5)ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXVCHCRQXBOLI-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC2CCN(CCCOc3cc(=O)oc4cc(-c5cccnc5)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POHWFMCQJKOYNV-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC2CCN(CCCOc3cc(=O)oc4cc(-c5cccnc5)ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUUSFJDTWBMGRX-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC2CCN(CCCOc3cc(=O)oc4cc(-c5cccnc5)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHWHTQLLCMSDMD-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CNC2CCN(CCCOc3cc(=O)oc4cc(-c5cccnc5)ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTNSLDUIWUGNU-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(NCc3cccc([N+](=O)[O-])c3)CC2)c2ccc(-c3cccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTSNJIBRBCIQKM-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(NCc3ccsc3)CC2)c2ccc(-c3cccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFCQPLQQXESIV-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(NCc3ccc(F)c(F)c3)CC2)c2ccc(-c3cccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWOGJMLJWSOQY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccc3c(OCCCN4CCC(NCc5ccccc5)CC4)cc(=O)oc3c2)ccn1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIIGCYBGMMKED-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(NCc3ccccc3)CC2)c2ccc(-c3ccc(F)nc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJAQQMPPYQVKDC-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCN2CCC(CNCc3ccccc3F)CC2)c2ccc(-c3cccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBUJREUYSLXZKN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C1CCN(CCCOc2cc(=O)oc3cc(-c4ccc(F)nc4)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKUGYXGCHDLCT-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C1CCN(CCCOc2cc(=O)oc3cc(-c4ccc(F)cc4)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFTUZGKFIWNNI-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCNC2CCN(Cc3ccccc3)CC2)c2ccc(-c3ccncc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOIWOTNCYQAZFP-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCNC2CCN(Cc3ccccc3)CC2)c2ccc(-c3ccnc(F)c3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLIMJSWOHFSNQL-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCNC2CCN(Cc3ccccc3)CC2)c2ccc(-c3ccc(F)nc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWEFIMKHVTZOJK-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCCNC2CCN(Cc3ccccc3)CC2)c2ccc(-c3ccc(F)cc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUCEZAZQQKDAC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccc3c(OCCCNC4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)ccn1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJRRGOKDCSOBTM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccc3c(OCCCNC4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)ccn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258939", "category": ["biolink:ChemicalEntity"], "name": "NOTOPTEROL", "xref": ["InChIKey:BKIACVAZUKISOR-MKMNVTDBSA-N", "SMILES:CC(C)=CC(O)C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4444849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLDJGOCUBPSEY-PXLXIMEGSA-N", "SMILES:COc1cccc(/C=N/C2CCN(Cc3ccccc3)CC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGBVSBQIQXJMR-UHFFFAOYSA-N", "SMILES:CC1(C)Oc2c(c(O)cc3occ(-c4ccc(F)cc4F)c(=O)c23)CC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEYTLWGWLRKQD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(O)c4c(c3c2=O)OC(C)(C)C=C4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJWUZKBMCSZGL-UHFFFAOYSA-N", "SMILES:Cc1oc2ncn(CCCN3CCCCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZADSZMCBHZSPAY-UHFFFAOYSA-N", "SMILES:Cc1oc2ncn(CCN(C)C)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZNWIGAOYXZGW-UHFFFAOYSA-N", "SMILES:Cc1oc2ncn(CCN3CCCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDWLPZNQFCXPOO-UHFFFAOYSA-N", "SMILES:Cc1oc2ncn(CCN3CCCCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTLMYQHRYFTRJ-UHFFFAOYSA-N", "SMILES:Cc1oc2ncn(CCCN3CCCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3415442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURDSJGWWXAEBA-BJMVGYQFSA-N", "SMILES:N/N=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2019154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRGCZDAIUIDRB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(Cl)ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJQCWZHXDODCH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3cc(Cl)ccc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUUFCMKMVGYNGT-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(OCc3ccccc3F)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLIOHWRSLRFKJG-UHFFFAOYSA-N", "SMILES:O=c1cc(CCCl)c2ccc(OCc3cccc(Cl)c3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUMBASZWGNZPL-UHFFFAOYSA-N", "SMILES:O=c1oc2ccc(Cl)cc2c(O)c1-c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJDMHWEDXLYCE-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJFAJFMQYLNQDL-MEFGMAGPSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2csc(N/N=C(/CSc3nc4ccccc4s3)c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCRCJWYRLBQBU-BRPDVVIDSA-N", "SMILES:Clc1ccc(-c2csc(N/N=C(/CSc3nc4ccccc4s3)c3ccccc3)n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLGDVXHVZFHQQZ-XDHOZWIPSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)on2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQAVDCSOGJRXOW-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(Br)ccc2cc1-c1ccc(Br)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZDIVLUIURHFV-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)c(-c3cccc(N)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTMUVRRGUDZRR-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1288972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQPLWRKVKRYTP-XVNBXDOJSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVHQXBGNATEQB-PNAHYYPNSA-O", "SMILES:Br.CCOC(=O)C(C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)[n+]1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYNUPJAWGKEHGJ-XDHOZWIPSA-N", "SMILES:Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2332163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQLCKTLOSJVDJM-SEBJLUHNSA-N", "SMILES:O=C(/C=C(O)/C=C/c1ccccc1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSAQPDRSCQASD-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJXUWBKQGUEEIM-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVFBBEFTMQCQBE-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)c1ccc(N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMCTBIGPYQFIH-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDHWOUMCGRQHR-JXMROGBWSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEVBIGVGQJUBS-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STXJJMPGLSNOMC-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Cl)ccc2s1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRAQQUVNZWBWLE-VQHVLOKHSA-N", "SMILES:CCc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTIFYYPTNTOFZ-FRKPEAEDSA-N", "SMILES:C/C(=N\\NC(=O)Nc1ncc([N+](=O)[O-])s1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIPORSYRPXDJDP-UHFFFAOYSA-N", "SMILES:COCCNc1nnc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLKBLIJLBPBQW-UHFFFAOYSA-N", "SMILES:CCCCNc1nnc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYZJXYQSDKRAGV-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3ccccc3Br)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYOAYJOAFKWJJC-YBFXNURJSA-N", "SMILES:C/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQKXWUFZNSZCF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3cc([N+](=O)[O-])ccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORIGTQOWPHVRQD-SSDOTTSWSA-N", "SMILES:C[C@H]1OC(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZAKFXQSDQJAK-UHFFFAOYSA-N", "SMILES:O=C(CN1CCNCC1)N1N=C(c2ccc(F)cc2)CC1c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCRCQFGSXZKZRQ-UHFFFAOYSA-N", "SMILES:CC1=NN(C(=O)CN2CCNCC2)C(c2cc(Br)cc(Br)c2O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGWOEAXBGYNGIU-QPJJXVBHSA-N", "SMILES:Cc1ncc(/C=C/c2ccc(O)cc2)c2c1OC(C)(C)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICAYCONZDOSGPW-JXMROGBWSA-N", "SMILES:C#CCN(C)c1ccc(/C=C/c2cnc(C)c3c2COC(C)(C)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWPXJXRSYUTKT-VMPITWQZSA-N", "SMILES:Cc1ncc(/C=C/c2ccc(N3CCN(C)CC3)cc2)c2c1OC(C)(C)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSYXXNNAQVSPZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2sc3ccccc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYOQOARPPADCA-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Br)c1)c1sc2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYCFCQUGIFRLTD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2sc3ccccc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHGYJKZVLKPGR-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cl)c1)c1sc2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQJURKOHGCYMX-SDNWHVSQSA-N", "SMILES:O=C1Oc2ccccc2C(=O)/C1=C\\NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFSZUMBFIBZUDZ-UHFFFAOYSA-N", "SMILES:Oc1cc(Cl)ccc1NC(=S)Nc1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3408911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYMFKKHFGDKOKO-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2262973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFBGAZDIDRRYQQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGKFEFELRYSQG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc2cc(-c3ccccc3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGSJYJTCKBGQP-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CCC3(CCOCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLATBYQGNYBQC-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccccc2)c1-c1ccc(N2CCC3(CCOCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSHMENLVGFYOGU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1N1CCC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFZBAFPSSHPKA-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1cc(F)c(N2CCC3(CCOCC3)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWGKYTXNGNPLC-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccnc(N3CCOCC3)c2)c1-c1ccc(N2CCC3(CCOCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNXNEGZACBWIQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c(C)c2-c2ccc(N3CCC4(CCOCC4)C3)cc2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKEAUHFQWFJBSA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c(C)c2-c2ccc(N3CCC4(CCOCC4)C3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRLZBYMEGPKHS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c(C)c2-c2cc(F)c(N3CCC4(CCOCC4)C3)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYHAWCXISXOLGW-QGZVFWFLSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CC3(CCOCC3)C[C@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYHAWCXISXOLGW-KRWDZBQOSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CC3(CCOCC3)C[C@@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHZBASUMCBAPGP-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CCC3(CC2)CNC(=O)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACLRNCDEYTZTFX-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CC3(CCOC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGJOLKSVPANWNM-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CCC3(COC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPWWISJEGVYMJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1N1CC2(COC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFXQZVOYOOGKS-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1cc(F)c(N2CC3(COC3)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHKWYNNHWIHAP-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CC3(CCOCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMSKSNLGFNJEX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1N1CC2(CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGQATFJBHKJARM-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CCC3(CCS(=O)(=O)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQLTVVZCKVDKJ-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1cc(F)c(N2CCC3(CCS(=O)(=O)CC3)C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTYPNDZGVAMCZ-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CCC3(CCS(=O)(=O)CC3)C2)c(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGCEZPYEXSKJD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)cc(C)c1N1CCC2(CCS(=O)(=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMOGDWORLOIQCD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2n[nH]c(C)c2-c2cc(F)c(N3CCC4(CCS(=O)(=O)CC4)C3)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEFGICRTEHGPPX-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CCC3(C2)CS(=O)(=O)C3)c(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZKSWFQDFPDCO-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1cc(F)c(N2CC3(C2)CS(=O)(=O)C3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WESVMLXVRPRAJO-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CC3(C2)CS(=O)(=O)C3)c(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRFMFDMGSZBDTP-BDQAORGHSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRFMFDMGSZBDTP-VEIFNGETSA-N", "SMILES:Cl.N[C@@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZDTQHXIMTEOM-FYZYNONXSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(C(=O)NC6CC6)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFMOIJRIGRVZKR-BOXHHOBZSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCC6)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFRZXOHLZPTPDL-FTBISJDPSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCCC6)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULQWQACBLAPXHH-BQAIUKQQSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCCCC6)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZPLMNDROZHNJ-FYZYNONXSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccccc5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFDGRDJABKGQA-FERBBOLQSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccncc5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGEOXZBYCVOQPZ-FERBBOLQSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5cccnc5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPXVERBJHHRSR-LMOVPXPDSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(F)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQCNTQCJAZOYTD-FERBBOLQSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5nccc(NC(=O)C6CC6)n5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWIFNRNAHQHJOF-FERBBOLQSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)n5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHHELMURHCMDD-FERBBOLQSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5cc(NC(=O)C6CC6)ncn5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZOPGAJLLJTGOM-BOXHHOBZSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)c5)cc24)CCCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZENMDQOVZIKSED-FTBISJDPSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCC6)c5)cc24)CCCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUXIIMOXKODZTE-FYZYNONXSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)n5)cc24)CCCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSTGREJEJAWCOE-FERBBOLQSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)c5)cc24)CCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXZAHXCRFJYGK-FYZYNONXSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCC6)c5)cc24)CCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZWBKNBOYFGYLJ-FTBISJDPSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2cc(-c3ccc4nc5c(c(N6CC[C@H](N)C6)c4c3)CCCCC5)ccn2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGXBYXUMAMZVCP-BQAIUKQQSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(Nc2cc(-c3ccc4nc5c(c(N6CC[C@H](N)C6)c4c3)CCCCC5)ccn2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUHOLQEDNSTMY-UQIIZPHYSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(Nc6ccc(S(=O)(=O)N7CCNCC7)cc6)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHVXXFLXSSSSY-SNYZSRNZSA-N", "SMILES:CN1CCN(S(=O)(=O)c2ccc(Nc3cc(-c4ccc5nc6c(c(N7CC[C@H](N)C7)c5c4)CCCCC6)ccn3)cc2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEXCBIQBLPVHE-UQIIZPHYSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(Nc6ccc(S(=O)(=O)N7CCOCC7)cc6)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFGXXCXIRTJNE-UQIIZPHYSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(Nc6cccc(S(=O)(=O)N7CCOCC7)c6)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFJEJCSJUOOGD-BQAIUKQQSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)c5)cc24)-c2ccccc2CCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGVGOCHGKRMMQH-BOXHHOBZSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)n5)cc24)-c2ccccc2CCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNDHLWWANDTOAT-UQIIZPHYSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(Nc6ccc(S(=O)(=O)N7CCCC7)cc6)c5)cc24)CCCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGSBEYKVWODBRD-ICSRJNTNSA-N", "SMILES:O=C(NCc1[nH]nc2ccccc12)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463931", "category": ["biolink:ChemicalEntity"], "name": "GSK-2163632A", "xref": ["InChIKey:YNSCKPCDFIDINW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL517171", "category": ["biolink:ChemicalEntity"], "name": "GSK-1713088A", "xref": ["InChIKey:GGQTUXCKDZGJDL-UHFFFAOYSA-N", "SMILES:CCCN1CCC(Oc2cc(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)c(OC)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476259", "category": ["biolink:ChemicalEntity"], "name": "GSK-1326255A", "xref": ["InChIKey:UKKOZAHWQFYYRW-UHFFFAOYSA-N", "SMILES:CCCN1CCC(c2ccc(Nc3nc(Nc4cc(F)ccc4C(N)=O)c4cc[nH]c4n3)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRDLWBLWLYRNNX-UHFFFAOYSA-N", "SMILES:CCOc1noc(CNC(=O)c2cc(C3NC(=O)NC(C)=C3C(=O)Nc3ccc4[nH]ncc4c3)ccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRPSBXARPNOBH-UHFFFAOYSA-N", "SMILES:CCc1nc(CNC(=O)c2cc(C3NC(=O)NC(C)=C3C(=O)Nc3ccc4[nH]ncc4c3)ccc2F)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWADTSPXFRXHLU-KWLUBBKXSA-N", "SMILES:C[C@@]12C[C@@]3(O)O[C@H](O1)[C@@]1(COC(=O)c4ccccc4)[C@@H]3C[C@]12O[C@@H]1O[C@H](COS(=O)(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTWSABVQTVFDB-UHFFFAOYSA-N", "SMILES:C#CC(=O)NCc1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEAYNKFJXGVWBQ-UHFFFAOYSA-N", "SMILES:NCCCNCCCCNCCCNc1cc2nc(-c3ccccc3Cl)[nH]c(=O)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMRKCFKUFVIBLB-ZTMLUBLPSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAPPQBOZLHZAOS-QYZALEQESA-N", "SMILES:C=C1CC[C@H]2[C@@](C)(CC/C(=N\\O)[C@@]2(C)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1/C=C/C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJXJQYXVDCGSC-IBXYCOHGSA-N", "SMILES:C=C1CC[C@H]2[C@@](C)(CC/C(=N\\O)[C@@]2(C)COC(c2ccccc2)c2ccccc2)[C@@H]1/C=C/C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRYVJUQJJNVGC-IIOCQQIUSA-N", "SMILES:C=C1CC[C@H]2[C@@](C)(CC/C(=N\\O)[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1/C=C/C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFGXGKVCCTOMV-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc(COC2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPQAWHRBUZWQP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCC(OCc3ccc(C(=O)NCCN4CCCC4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXLSPADCNIFESR-UHFFFAOYSA-N", "SMILES:CCN1CCC(NC(=O)c2ccc(COC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWISPRJIQWRDLT-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc(COCC2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZTWCTWCWSEEH-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc(COCCC2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQKHMCVARJCCX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(COCCC2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXNTOFHVZPBED-UHFFFAOYSA-N", "SMILES:CN1CCC(CNC(=O)c2ccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUDSBCZECCZJDE-UHFFFAOYSA-N", "SMILES:CCCN1CCC(CNC(=O)c2ccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMQBVIVPBSDVKA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)c3ccc(CN4CCN(c5nnc(NC(=O)Cc6ccccc6)s5)CC4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHIBYIMLZRBFF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCN(Cc3ccc(C(=O)NCCc4ccc(F)cc4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHSEAAWWVWPJG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(NC(=O)c3ccc(COCCC4CCN(c5nnc(NC(=O)Cc6ccccc6)s5)CC4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGGVJKTEAUVAM-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(CNC(=O)c2ccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUCKNHYCJOYCAY-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(CNC(=O)c2ccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKBXIYAXJMSGNI-UHFFFAOYSA-N", "SMILES:CCCCCCN1CCC(CNC(=O)c2ccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHMPLBRVMAKIFF-UHFFFAOYSA-N", "SMILES:C=CCCC(=O)N1CCC(CNC(=O)c2ccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDSUAQEEBNVSO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCC(CCOCc3ccc(C(=O)NCC4CCN(Cc5cc(F)cc(F)c5)CC4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOKVNBXJDLDJHK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCC(CNC(=O)c2ccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYZLHLJSSHNERB-UHFFFAOYSA-N", "SMILES:CCCN1CCC(CNC(=O)c2cccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSSBAATOQKOIZ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCC(CCOCc3cccc(C(=O)NCCN4CCCCC4)c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGZZWUHYPFVKN-UHFFFAOYSA-N", "SMILES:CN1CCC(CNC(=O)c2cccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STWVZEMDRFEVBX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cccc(COCCC2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTLMOAXIVAMKJU-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCC(CCOCc3cccc(C(=O)NCCN4CCCC4)c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXRKDVSJVDJWOX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCC(CCOCc3cccc(C(=O)N4CCN(c5cccc(F)c5)CC4)c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUVYNLMSGYWFPY-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(CNC(=O)c2cccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBMVEWMZBAAPSR-UHFFFAOYSA-N", "SMILES:CCCCCCN1CCC(CNC(=O)c2cccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXTVSRUZEBMBOO-UHFFFAOYSA-N", "SMILES:C=CCCC(=O)N1CCC(CNC(=O)c2cccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVNVNWAEZNGZQG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCC(CCOCc3cccc(C(=O)NCC4CCN(Cc5cc(F)cc(F)c5)CC4)c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUSTXZMNFDXEMV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCC(CNC(=O)c2cccc(COCCC3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUGBNNWPMZBRD-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCN(Cc3ccc(C(=O)NCCN4CCCCC4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHMFCXQZKEDNH-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCN(Cc3ccc(C(=O)NCCN4CCCC4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVYWEODQRPBJE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(CN2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYEZKQWZCNYKIV-UHFFFAOYSA-N", "SMILES:CCNCCNC(=O)c1ccc(CN2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKXLKFQFYWGQE-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCN(Cc3ccc(C(=O)N4CCC(CO)CC4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUKQXFUXGIUHY-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCN(Cc3ccc(C(=O)NC4CCCC4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRSJGSOZOUACNE-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1ccc(CN2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNHXUBTNDBLJA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(NC(=O)c3ccc(CN4CCN(c5nnc(NC(=O)Cc6ccccc6)s5)CC4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIPNYPHZMUFRPU-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCN(Cc3ccc(C(=O)NCCNc4ccccc4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGKQWNEMNIBOI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(CN3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWRVOAPXWHQPL-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCN(Cc3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQSYVSYPVNXBFR-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cccc(CN2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLSCMXGKXGTCJF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(N2CCN(Cc3cccc(C(=O)NCCN4CCCCC4)c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXNCTFQVCFNTDC-UHFFFAOYSA-N", "SMILES:CN1CCC(CNC(=O)c2cccc(CN3CCN(c4nnc(NC(=O)Cc5ccccc5)s4)CC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMDCUNYWWOWNLX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(NC(=O)c3cccc(CN4CCN(c5nnc(NC(=O)Cc6ccccc6)s5)CC4)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTJZEGJVMQRWOI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3ccc(CN4CCN(c5nnc(NC(=O)Cc6ccccc6)s5)CC4)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEIGHDLMKZGMAN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(=O)Nc3ccc(CN4CCN(c5nnc(NC(=O)Cc6ccccc6)s5)CC4)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYQABPBGAOUTIB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3cccc(CN4CCN(c5nnc(NC(=O)Cc6ccccc6)s5)CC4)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQRWUBCEJADAT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(=O)Nc3cccc(CN4CCN(c5nnc(NC(=O)Cc6ccccc6)s5)CC4)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUREOHGCPZNJM-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)[Se][Se]C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAQRMAREYLDICZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cn2ccnc2)[Se]C(Cn2ccnc2)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVUKKANXXJOLKI-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1ccc(-c2ccc3cc(O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXGLPPYKPHYFGE-GIDUJCDVSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1ccc(-c2ccc3cc(O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYRGOGJQLBVAY-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2cc(-c3ccoc3)ccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZLJWOOXDQEVQR-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2cc(-c3ccsc3)ccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDSCYZVLLFRDKC-VOTSOKGWSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2cc(-c3ccccc3)ccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZMSGTAAJTUBNJ-SNAWJCMRSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2cc(-c3cccc(O)c3)ccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXYQUHMRUZEPIW-OWOJBTEDSA-N", "SMILES:Oc1ccc(-c2ccc(O)c(/C=C/c3cc(O)cc(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCSLWSYRVDGJE-SNAWJCMRSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2ccc(O)c(/C=C/c3cc(O)cc(O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZRFPXCQPZCAQV-OJROMBEVSA-N", "SMILES:NC(=O)/C=C/c1ccc(O)c(/C=C/c2cc(O)cc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFRAZKBBNZSQQ-XIIDOLPRSA-N", "SMILES:CNC(=O)/C=C/c1ccc(O)c(/C=C/c2cc(O)cc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQHPXDCPGKVAX-KRHXFINASA-N", "SMILES:O=C(/C=C/c1ccc(O)c(/C=C/c2cc(O)cc(O)c2)c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUSTSZIDUABAO-MQQKCMAXSA-N", "SMILES:C/C=C/C(=O)Nc1ccc(O)c(/C=C/c2cc(O)cc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEWXZOKNDDUWTF-JMFBPXTISA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1ccc(O)c(/C=C/c2cc(O)cc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJAKIQNVFZYHLP-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(O)c(-c3ccoc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZQJJPYGUWBTR-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(O)c(-c3ccsc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHINOMRAAJHMOJ-VOTSOKGWSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(O)c(-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCVDJMZRPCCERX-SNAWJCMRSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(O)c(-c3cccc(O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQTWTQZMIWHQL-OWOJBTEDSA-N", "SMILES:Oc1ccc(-c2cc(/C=C/c3cc(O)cc(O)c3)ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKQPRVYHVDAAN-SNAWJCMRSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2cc(/C=C/c3cc(O)cc(O)c3)ccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYVDPRMHXIYJBD-QGZVWANCSA-N", "SMILES:CNC(=O)/C=C/c1cc(/C=C/c2cc(O)cc(O)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBCMZCCADGGKZ-PBOULFJWSA-N", "SMILES:CCCNC(=O)/C=C/c1cc(/C=C/c2cc(O)cc(O)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAEJXAWFXAEYFS-NNMZAIBHSA-N", "SMILES:O=C(/C=C/c1cc(/C=C/c2cc(O)cc(O)c2)ccc1O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPFQJCCMQHRME-RXUIJTJXSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAAGYFYLBKPKPM-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(-c3ccoc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZKBAPQUAFZMAZ-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(-c3ccsc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTARIQSZJMXGGO-VOTSOKGWSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(-c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCAKFWYZIKINCG-SNAWJCMRSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(-c3cccc(O)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRWVGUGSCPVFR-OWOJBTEDSA-N", "SMILES:Oc1ccc(-c2ccc(/C=C/c3cc(O)cc(O)c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRAYFOQRXZXBNQ-SNAWJCMRSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2ccc(/C=C/c3cc(O)cc(O)c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOLJBJYXJWQHH-XBLVEGMJSA-N", "SMILES:CCCNC(=O)/C=C/c1ccc(/C=C/c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXPHPMMRYVXNLF-XBLVEGMJSA-N", "SMILES:CN(C)C(=O)/C=C/c1ccc(/C=C/c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZDBUKHOFBSCSI-BNFZFUHLSA-N", "SMILES:O=C(/C=C/c1ccc(/C=C/c2cc(O)cc(O)c2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPJSWMLRCIHWRH-FCXQYMQBSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1ccc(/C=C/c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WROJWMHGSCGRFX-VOTSOKGWSA-N", "SMILES:O=C(CCc1ccccc1)Nc1ccc(/C=C/c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGVSFBWVROBEH-IZZDOVSWSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCMWSAHHMAQOO-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKYWWBHXUJUREQ-AWNIVKPZSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1ccc(-c2cnc3cc(O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDNPZPRUHDEFK-AWNIVKPZSA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1ccc(-c2nc3ccc(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQZPKTMLUWPISF-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1ccc(-c2nc3ccc(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHAWUBMHTMNOJC-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)oc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIGCUVOZSBJKM-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCc2ccccc2)c2ccccc2n1C1CCN(CCCCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAXJEPBPGCWAEM-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCCCN1CCC(n2c(=O)n(CCCCc3ccccc3)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVVASIFJOARPDP-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCCCn1c(=O)n(C2CCN(CCCCc3ccccc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJOCFBBKKKHTI-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCCCN1CCC(n2c(=O)n(CCCCc3ccccc3OC)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLPOYDZSLUSHP-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCc2ccccc2)c2ccccc2n1C1CCN(CCCCc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVVIBWVGOFVIP-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCc2ccccc2)c2ccccc2n1C1CCN(CCCCc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKFWSOWZPUPCOX-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCc2cccc(F)c2)c2ccccc2n1C1CCN(CCCCc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVAZBLDEWPYAU-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)N1CCC(n2c(=O)n(CCCCc3ccccc3)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MONNACWSAVIBPH-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCc2ccccc2)c2ccccc2n1C1CCN(CCCOc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIGRBTKGBUMVKU-UHFFFAOYSA-N", "SMILES:O=c1n(CCCCc2ccccc2Cl)c2ccccc2n1C1CCN(CCCCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1684954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYDMBNDOVPFJL-CYBMUJFWSA-N", "SMILES:C[C@@H](NC(=O)Cc1ccc(C2CC2)cc1)c1ccc(OCC(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DACFFMAXBWGOKQ-CZEFNJPISA-N", "SMILES:Cl.Cl.O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTDKYSHPRZUCA-IBFMDKPJSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1c(F)cc(-c2ccn[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYJVSSFWJWEROY-IBFMDKPJSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1c(F)cc(-c2ccn[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMYDUJAGGJIAQP-ICCPGPOKSA-N", "SMILES:Cl.Cn1cc(-c2cc(F)c(C(=O)N[C@@H]3CNCC[C@H]3c3ccc(F)c(F)c3)c(Cl)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNIIXVMHCERNH-HRAATJIYSA-N", "SMILES:Cn1ncc(Br)c1-c1ccc2c(c1)CN([C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPAACQKPTVIEFP-HTAPYJJXSA-N", "SMILES:Cn1nccc1-c1ccc2c(c1)CN([C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOOHGYWFGWCLK-OXJNMPFZSA-N", "SMILES:Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRQGRGUNXOJFTE-OZYANKIXSA-N", "SMILES:Cc1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)ccc1-c1ccnn1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKALHXMMDWJWMR-CQVJSGDESA-N", "SMILES:Cc1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)ccc1-c1c(Cl)cnn1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBKPGCSYMVORW-CQVJSGDESA-N", "SMILES:Cc1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)ccc1-c1c(Br)cnn1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGGSSFBKWIEITQ-ADMBKAPUSA-N", "SMILES:CCCc1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)ccc1-c1ccnn1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMPBYBHCKJMRN-NFJCIPKMSA-N", "SMILES:CCCc1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)ccc1-c1c(Cl)cnn1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNLNZRRWRDHKTQ-NFJCIPKMSA-N", "SMILES:Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADQMZCJKUYSPU-ZXPGKYBVSA-N", "SMILES:Cl.Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPUNJIBMAXEOKX-ZXPGKYBVSA-N", "SMILES:Cl.Cn1ncc(Br)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZBZJRADBZILEV-NFJCIPKMSA-N", "SMILES:CC(C)c1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)ccc1-c1ccnn1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYEQSBAYCJFQGU-ZXPGKYBVSA-N", "SMILES:CC(C)c1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)ccc1-c1c(Cl)cnn1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZNTQNNOULZOV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Cl)c(C(=O)NCC(c3ccccc3Cl)N(C)C)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGRCPEBNOHLXOQ-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZYTTPGINKYES-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(C(=O)NCC(c3ccccc3Cl)N(C)C)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTSWLDOTQNERAH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Cl)c(C(=O)NCC(c3ccccc3)N(C)C)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXHLNKRNAJQDSO-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1sccc1Cl)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYUNQCHGHTHBT-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cccs1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXPRYVJWAGMIH-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIYLICKKTYEDQP-UHFFFAOYSA-N", "SMILES:CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLHNADYLAPHUNO-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFRNFRJZLVGQDZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(CNC(=O)c1cc2ccccc2s1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODIBBUFQFROTCP-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2ccccc2s1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXUWUOEPIIDLU-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2ccccc2s1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCZDRXVUYKIHLP-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(CNC(=O)c2cc3ccccc3s2)N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASZTMHDMNWQQG-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQRAGQVGCDPHSE-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSUQJWNLIQTLAA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(CNC(=O)c2cc3ccccc3s2)N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBUSCVVVXGZOOI-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMQBCXUCMWDYMK-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XARIASYFIJWQCV-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2ccccc2s1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLHUZDORCSUAQ-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2ccccc2s1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVXDUZFKKRYCX-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccco1)Cc1ccccc1[N+](=O)[O-])Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTGVGSIOVRQHOC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCAUBKYFTKHIKA-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBVDZKRQOKGMDP-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVSZJXXTCMJIQ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLRSZOMPUNXGK-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCQOORVNGUWFA-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRECSZZWMBITEB-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHFFRNAKLHWOQ-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZSWHHCFPBWXSF-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCWDVOFERXTRT-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABKPLKHBQNAEIU-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWLDGSYYZSBGO-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVHGYXJJMITBCI-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOODDATYEDGUGS-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRJEGCIEQQXKZ-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRWUHPMPMKUYLJ-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAPVNWSCVAUVTO-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOXOFOJEJMZKNH-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccco1)Cc1cccc2ccccc12)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVJXXOAZYRJNLU-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccco1)Cc1c[nH]c2ccccc12)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYZUCVLMBBYPV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CN(Cc1ccco1)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCRVEUDHFZNHQQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDYJPXFAHSPOQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2c[nH]c3ccccc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBYIZYZEXAUULL-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc2ccccc2c1)Cc1ccco1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCLJWAIBRCCOW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CN(Cc1ccc2ccccc2c1)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXQNKTPFQHNZQO-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN(Cc2ccc3ccccc3c2)Cc2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSJPDYXBTZQFJO-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CN(Cc2ccc3ccccc3c2)Cc2ccco2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBRYSCCUDBFFL-UHFFFAOYSA-N", "SMILES:c1ccc(CCCN(Cc2ccc3ccccc3c2)Cc2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZZDLPGQNWRQR-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1ccccc1)Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAKYNKMYONGAHY-UHFFFAOYSA-N", "SMILES:CCCCN(CCCc1ccccc1)Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPZCQZRXCJHWCT-UHFFFAOYSA-N", "SMILES:CC(C)CN(CCCc1ccccc1)Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFXPVHHQTFAOAI-UHFFFAOYSA-N", "SMILES:CCCN(CC(=O)Nc1ccccc1C)Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVAYJRQVBERGT-UHFFFAOYSA-N", "SMILES:CCCCN(CC(=O)Nc1ccccc1C)Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIOAMNTKXKLNZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CN(Cc1ccc2ccccc2c1)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZKGSQUBHHGOD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CN(Cc1ccc2ccccc2c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTMEVKAHJJUQB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN(CC(=O)Nc1ccccc1C)Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDABZRBCXWDDH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)CN(Cc1ccc2ccccc2c1)CC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMEAJOOXRIFYIS-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRBJRSNGYOBNOB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGVHPUVDBSRNBV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPVNKSZVLGNJKM-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYACYEGDKVBMRC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMISUSCCBQNBIP-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMUWJYZUFIRWQO-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFSEOBYSMNKHG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPWJHBUYVAYYHW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUQDJFJKIZISW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDDMQWKXGSSLJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUCEUICJFTKSJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(N3CCN(C(=O)Nc4ccccc4)CC3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSQLSTWOUFBPKW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(N3CCN(C(=O)Nc4ccc(OC)cc4)CC3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPAZEYTVSKMAD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(N3CCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXZTTFVVYAFTL-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccccc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWLRKYDSIQUEZ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZZHYZMBAUORBR-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNJIRQMCOQXGAV-UHFFFAOYSA-N", "SMILES:S=C(Nc1cccc(Cl)c1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVOBTHWPHZLET-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccc(Cl)cc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACIKAGZYYIWDY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(N3CCN(C(=S)Nc4ccccc4)CC3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABZXRAQIVBXXPG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(N3CCN(C(=S)Nc4ccc(OC)cc4)CC3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVSLHVMDZYSVFA-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(N3CCN(C(=S)Nc4cccc(Cl)c4)CC3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOPDQNHJUNVIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(N3CCN(C(=S)Nc4ccc(Cl)cc4)CC3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVVOXIMEZCMSSA-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGAJHTSPHACTLO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQZSGOBAYDQIAM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBAYOMQZYDSJKV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUOAKPOUYIDTI-LSDHHAIUSA-N", "SMILES:C#CCSC[C@H]1NC(=O)[C@H](Cc2ccc(OC(C)=O)c(OC(C)=O)c2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLOUBVPSLGWZPE-VBKFSLOCSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVVINQDSKBYLJ-PTNGSMBKSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(=O)c2ccccc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXLBCIREQKWKMT-KAMYIIQDSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKDYIAJSLSKBH-RAXLEYEMSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(F)c(C(=O)c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXBPOKQBNERKN-KAMYIIQDSA-N", "SMILES:COc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCSPLIQUHYWDDR-QINSGFPZSA-N", "SMILES:CCOc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIKSKQBHVAARGH-SSZFMOIBSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(OC(C)C)c(C(=O)c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUIXWOBXCJAVMA-VKAVYKQESA-N", "SMILES:CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKFQDGRICBSGOO-CMHHUMAZSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXLPCCIUCDHHFJ-LRUQUBRESA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHTXVAIGPDADKE-HKLRHMNMSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)c2ccccc2F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGMYUYAMOAOMHD-SAIXKJTDSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)c2cccc(F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTOTLJCIOXCOW-SAIXKJTDSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)c2ccc(F)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOYUARGFWZVAW-HKLRHMNMSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)c2ccccc2Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPBSRPPOCSFVMW-SAIXKJTDSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)c2cccc(Cl)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQXRUMPRFCZTL-SAIXKJTDSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)c2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXVPOMYSHAJFD-IEMQHYRPSA-N", "SMILES:COc1cccc(C(=O)c2cc(F)c(NC(=O)/C(C#N)=C(/C)O)cc2O[C@@H](C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNHUOBOGRNRHPL-IEMQHYRPSA-N", "SMILES:COc1ccc(C(=O)c2cc(F)c(NC(=O)/C(C#N)=C(/C)O)cc2O[C@@H](C)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMYYIGNGMNCMRS-QIQQCEGHSA-N", "SMILES:C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)c2ccc3ccccc3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZXLXOPEXKNLS-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(Nc2ncccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUYHLGTULYOHI-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(Nc2ncccc2C(=O)O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFXSYAGZGBJTM-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(Nc2ncccc2C(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMDEPZHKMYLDE-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1cc(F)c(Nc2ncccc2C(=O)O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSGNXVFMAMFAQY-YPCIICBESA-N", "SMILES:O=C(/C=C/C=C/c1ccc(O)c(O)c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AURKHVWGDUMMNB-GQLYJEGOSA-N", "SMILES:N#C/C(=C\\C=C\\c1ccc(O)c(O)c1)C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPJLYBIZHGIMW-GQLYJEGOSA-N", "SMILES:N#C/C(=C\\C=C\\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWXFLOMGJCAJZ-AQHRCUNFSA-N", "SMILES:N#C/C(=C\\C=C\\c1ccc(O)c(O)c1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTJHGNWOWOJFW-REZHQCRGSA-N", "SMILES:O=C(/C=C/C=C/c1ccc(O)c(O)c1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHRBNWEXRQPAE-REZHQCRGSA-N", "SMILES:O=C(/C=C/C=C/c1ccc(O)c(O)c1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIWIMNHAQONJLY-KBXRYBNXSA-N", "SMILES:O=C(/C=C/C=C/c1ccc(O)c(O)c1)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGCVPPGUBIZDCE-UHFFFAOYSA-N", "SMILES:Cl.O=C(NC1CCNCC1)c1cc(C2CC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENTXAYVUCLRJQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(C(=O)CCl)CC1)c1cc(C2CC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDLBOYQRDHDKBW-UHFFFAOYSA-N", "SMILES:O=C(CCl)NC1CCN(C(=O)c2cc(C3CC3)on2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPFLRLYMLMEYIF-NSKSYPHZSA-N", "SMILES:O=C1Cc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)C4S(=O)(=O)CC3CCN(CCCC(F)(F)F)CC3)c(Cl)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQAOPINZKFWEQH-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N(C)OC)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOICSJYLGHPPB-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKHBEMMNIPHRHW-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCCCC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWBSMNPHBKGZED-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3C4CCCC3CC4)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDSNMDBJQRQXMX-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3C)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTMMWVIOZSFSDV-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCC(C)C3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSKICRKPMICFE-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(C)CC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWRNOEYHTADORV-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(C)(C)CC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCXARVWGMYXLO-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(F)CC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVGKQXNDXUHLNS-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(C#N)CC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFARLCBHIFNXLA-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(C(F)(F)F)CC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHVTIMKCJOMQR-UHFFFAOYSA-N", "SMILES:C#CC1CCN(C(=O)c2cn(-c3cccc(N(C)C)c3)c(=O)c3cc(OC)c(OC)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBAMQEBYOYDVQV-UHFFFAOYSA-N", "SMILES:CC#CC1CCN(C(=O)c2cn(-c3cccc(N(C)C)c3)c(=O)c3cc(OC)c(OC)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRONTVAZGLXGDH-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(OC)CC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTVKQSVPGWGJV-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCOCC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPZUUXHHGTBJO-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(c4ccccc4)CC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYYVTBSGRUMJTR-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCc4ccccc43)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRZVBBVHFWALCT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C(=O)N3CCC(F)CC3)cn(-c3cccc(N(C)C)c3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMAYTEGTBPDUEG-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(-c3cccc(N(C)C)c3)cc(C(=O)N3CCC(F)CC3)c2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJVFPWZNWAYCJ-UHFFFAOYSA-N", "SMILES:CCCOc1cc2c(C(=O)N3CCC(F)CC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGYKMNWCKYAOFV-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(-c3cccc(N(C)C)c3)cc(C(=O)N3CCC(F)CC3)c2cc1OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVNOTXYAIFRAJF-UHFFFAOYSA-N", "SMILES:CCCCCOc1cc2c(C(=O)N3CCC(F)CC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAIVITFWODWQCT-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(-c3cccc(N(C)C)c3)cc(C(=O)N3CCC(F)CC3)c2cc1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXTUTSUNOGURT-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(-c3cccc(N(C)C)c3)cc(C(=O)N3CCC(F)CC3)c2cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSNPLORFLDEXJF-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)n(-c3cccc(N(C)C)c3)cc(C(=O)N3CCC(F)CC3)c2cc1OC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAZYTHNXIZISCS-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3cccc(C(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLEVNJOYDBENTG-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3cccc(C(C)(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUUDOZXSKPOTIO-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3cccc(OC(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQIYNFRUHMGRY-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3cccc(C(C)=O)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNZRXIRWMOASC-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3ccc4onc(C)c4c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBQSIBOWPKNME-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3ccc4occ(C)c4c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVYLOQBASUWIBG-UHFFFAOYSA-N", "SMILES:CCN1CCc2ccc(-n3cc(C(=O)N4CCC(F)CC4)c4cc(OC)c(OC)cc4c3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKMKNOXCKBHKI-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3ccc4scc(C)c4c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLPBFQQCPIMBIY-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3ccc4ccn(C)c4c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBOXCDYIWFRTEN-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3ccc4cccc(C)c4c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWHQMVDJGPNZKC-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3ccc4occc4c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIOHQYKUQQCMTG-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCCCC3)cn(-c3ccc4sccc4c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZJDTIIADDFES-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(F)CC3)cn(-c3ccc4occc4c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBAVQJSTMOXRAO-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(F)CC3)cn(-c3cccc(C(C)C)c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWXHTAXRRSVLCU-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(F)CC3)cn(-c3ccc4occ(C)c4c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELXFZDNFAKTSS-UHFFFAOYSA-N", "SMILES:COc1cc2c(C(=O)N3CCC(F)CC3)cn(-c3ccc4scc(C)c4c3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTSYYKDKFNRKN-UHFFFAOYSA-N", "SMILES:C#CC1CCN(C(=O)c2cn(-c3ccc4scc(C)c4c3)c(=O)c3cc(OC)c(OC)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVRFPVHQPHXAA-LJQANCHMSA-N", "SMILES:CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5437977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGMAZKHFHRGCK-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC(COP(=O)(O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYKFOULGONLLM-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC(Sc2nccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUXJTSYUCCOGL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC1CCN(C(=O)CCl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOFRGAHELMJIM-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC(Sc2nnc(-c3ccccc3)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSVKSAHAAMEBM-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(SC3CCN(C(=O)CCl)CC3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGRKMPXLRCUJFP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)CC2CCN(C(=O)CCl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGENCYCRITXNKZ-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCCC(OP(=O)(Oc2ccccc2)Oc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRIFAWLXVMQVNC-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC(COP(=O)(Oc2ccccc2)Oc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGINAMTUUMZNB-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC(N2CCC(Br)C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYTMYJLOPMTHHT-UHFFFAOYSA-N", "SMILES:O=C(CCl)NC1CCCC2CCCCC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNNYMQTOGKOMZ-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc2nsnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRPUDFWTXVGJTP-CVEARBPZSA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(OCc4c(F)cccc4C(F)(F)F)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYXKGVMKBZSLD-CVEARBPZSA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4cccc(C(F)(F)F)c4F)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMDTWRYYRKKIMT-SJORKVTESA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4cc(C(F)(F)F)ccc4F)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVCHTHNSGAFJV-SJORKVTESA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4c(F)cccc4C(F)(F)F)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFXPUZMTTYAKH-SJORKVTESA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4cccc(C(F)(F)F)c4)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAOKHFGTBXAYLH-AEFFLSMTSA-N", "SMILES:COc1cccc(F)c1CCC1CN(C(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAHAXWZWTTYMRM-MSOLQXFVSA-N", "SMILES:Cc1cccc(F)c1CCC1CN(C(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUTAVIFJITVNKA-SJORKVTESA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4c(F)cccc4F)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBIRPBWQEFNRIR-SJORKVTESA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4ccccc4F)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUEYEDWQMQWZEI-SJORKVTESA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4ccccc4C(F)(F)F)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPXTCMTUFXZTM-ZBFHGGJFSA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(OCc4ccc(OC(F)(F)F)cc4O)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRJERHACBDJTL-CVEARBPZSA-N", "SMILES:O=C1CO[C@H]2CCN(C(=O)N3CC(OCc4ccc(C(F)(F)F)cc4Cl)C3)C[C@H]2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXMBCJNSVOXRD-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQCVSVMTZRDDC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3ccc4ccccc4c3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAXGLKIWHNURD-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3cccc4ccccc34)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGHRXKSIXDKBF-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3cccnc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZYRILIGDVRPS-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3cccc4ncccc34)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGQIFHVWFCPQJG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3cccc4[nH]ccc34)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTVOVQWWIHAAGD-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(Sc3ccccc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXBFVWIKSOCKNN-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(Oc3ccccc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQKOXVDUAHSOBU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CCNC(C)=O)c(-c1cccc3ccccc13)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL339105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQOTEHRXIKHKR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTNGNSUAHEGHE-UHFFFAOYSA-N", "SMILES:COc1cccc(N(CCNC(C)=O)c2cccc(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGESSWUOGJXGCX-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(Cc3cccnc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFZRIVETVFWFY-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1=C(c2cccnc2)Cc2ccc3c(c21)CCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCMOCQKBTLRSNE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(CN(C)c3ccccc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWVZCZJRRSBSIR-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1c(-c2cccc(O)c2)oc2ccc3c(c12)CCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZALWGQFPOPIDA-MOXHTKLPSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUTMWYAIVZWPAC-QUARLGJFSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKLCHTZXDUFBW-BFJHAZPGSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILNUVIQAUSBHFE-QUARLGJFSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUVLBAKUJVFIZ-BFJHAZPGSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNMBUGYTTZWHC-JGXNTWNQSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)C2(CCCC2)NC(=O)[C@@H](NC(C)=O)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTGYPXSDXKCNNM-JGXNTWNQSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)C2(CCCC2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRAYFEJFGDEQQK-MOXHTKLPSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHAFOVAPQREKIF-FRFFLUGSSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMICIFLQWJNSIW-GHKBDMFMSA-N", "SMILES:CC(=O)NCSC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5308466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBWCXBPKTTZNQ-BAERZWJTSA-N", "SMILES:CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5422587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSJURGNPIXMSLM-TZTXTZJBSA-N", "SMILES:CCN1C[C@]2(OC(=O)c3ccccc3NC(=O)c3ccc(OC)cc3)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSRVHGVQCQAHBJ-BKCZDWJBSA-N", "SMILES:CCN1C[C@]2(OC(=O)c3ccccc3NC(=O)c3ccc(N(C)C)cc3)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCRLNQIROZUKBA-PLXJQOKOSA-N", "SMILES:CCN1C[C@]2(OC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWMIBUZWFLENX-WZXWLBJQSA-N", "SMILES:CCN1C[C@]2(OC(=O)c3ccccc3NS(=O)(=O)c3ccccc3OC)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKMJLQFIFFGRF-WNQQDGFJSA-N", "SMILES:CCN1C[C@]2(OC(=O)c3ccccc3NS(=O)(=O)c3ccccn3)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSUODASNSRJNCP-QZKFWBPUSA-N", "SMILES:CCN1C[C@]2(OC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5424965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGZMMUKMIBNPF-BKCZDWJBSA-N", "SMILES:CCOc1ccc(C(=O)Nc2ccccc2C(=O)O[C@@]23CC[C@H](OC)[C@]45C([C@H](C[C@H]24)[C@@]2(O)C[C@H](OC)[C@H]4C[C@@H]5[C@]2(O)[C@H]4OC)N(CC)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDPIXQSLLWDJIB-FMXUTUSKSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@]2(C)[C@H](O)C[C@@H]2[C@@]4(C)Cc5sc(NC(=O)CN)nc5C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNMKFKNNXSUXRV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXFQQNWQLAEPCO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2ccc3[nH]ncc3c2)nc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWLYEPVPHOVJB-PNAGJKIOSA-N", "SMILES:CC1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOXCXKXZUVTVPA-PAVBONHJSA-N", "SMILES:CCC1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKWYFBGGLOCKL-SVJBANGZSA-N", "SMILES:CCCC1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVADSDPTQDKGQ-WKAHRTSNSA-N", "SMILES:CCCCC1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTBLKUNUYXJVQW-CKMZVEJHSA-N", "SMILES:CC(C)C1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQMYURJQFOTXBI-WKAHRTSNSA-N", "SMILES:CC(C)CC1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOZBXEGXTGAFCR-YBCSGRNESA-N", "SMILES:CCCCC1CN(C(=O)c2ccc(C(=O)N3CC(CCCC)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKWYFBGGLOCKL-RHSWGTMYSA-N", "SMILES:CCC[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)C[C@@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKWYFBGGLOCKL-OULDWOJKSA-N", "SMILES:CCC[C@@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVADSDPTQDKGQ-GWOOBCJYSA-N", "SMILES:CCCC[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)C[C@@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVADSDPTQDKGQ-ZVLLIXQISA-N", "SMILES:CCCC[C@@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIAYJYJAAXMOLH-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(Oc3ccc(NC(=O)Cc4ccc(C(F)(F)F)c(F)c4)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRLVVEPQLHOYNQ-UHFFFAOYSA-N", "SMILES:NC1CCC(Nc2nc(Nc3ccc(N4CCN(CCOCCOCCNC(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c3ncn(C4CCCC4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGAQJVYMHPGORF-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3nc(NC4CCC(N)CC4)nc4c3ncn4C3CCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACGZEJSYCJGIA-QAFJFTLSSA-N", "SMILES:CC(C)(C)C(=O)SCCOP1(=O)OC[C@@H]2O[C@H](n3cnc4ncnc(N)c43)C[C@H]2OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cnc4ncnc(N)c43)C[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKFXLKQWRODAA-JHSSMLDXSA-N", "SMILES:CC(C)(C)C(=O)SCCOP1(=O)OC[C@@H]2C[C@@H](OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@H]3O[C@@H](n4cnc5ncnc(N)c54)C[C@@H]3O1)[C@H](n1cnc3ncnc(N)c31)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMHECVBNXHNKA-RHRSSBKZSA-N", "SMILES:CC(C)(C)C(=O)SCCOP1(=O)OC[C@@H]2C[C@@H](OP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]3C[C@@H](O1)[C@H](n1cnc4ncnc(N)c41)O3)[C@H](n1cnc3ncnc(N)c31)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIIMIOUHXLKEPY-PRSXHHODSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1C[C@@H]2OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTBDVGIPAWKIQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWUUKXHSXJMHGU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFIOCBLERUAAFO-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(C(=S)SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZBGQHSBAIOAIQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(C(=S)SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSITLOFHBZIIL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCSAMMEIRZRTL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDQNTITVPILJO-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=S)SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRRCGURRYTUIW-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=S)SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCIXIBGWGBUVHF-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(C(=S)SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYAIZZVMWJYEMD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSLQDVBMSOJHFH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOOBCMGRFVLNKS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2nc(NC(=O)CSC(=S)N3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILDXUIQIYSEQCT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2nc(NC(=O)CSC(=S)N3CCN(Cc4ccccc4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZCWHTFSDRFJHZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(C(=S)SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWZOOAOLQAMEPG-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(C(=S)SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZHFJUUKPRLBLE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2nc(NC(=O)CSC(=S)N3CCOCC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTJTXDLOQHGDZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2nc(NC(=O)CSC(=S)N3CCCCC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUFUYUXMONZFL-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=S)SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODHQVOWCJNWGJT-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=S)SCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCPNTNXPZHNLDK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2nc(NC(=O)CSC(=S)N3CCN(c4ccccc4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLIQSOMUXNBLBX-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=S)SCC(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDNPCYCBQFHNJC-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccccc2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5418840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKSZDPELRSPES-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(Cl)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJAOJNAJBGLGD-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cccc(Cl)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIACUISPHFTGQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGVAUHOYNQUOKY-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc3c(c2)OCCO3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFCLLLGXPKQLN-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc3ccccc3o2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OACVAJFDOIURPI-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc3ccccc3c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKNQAMFLDJGGMB-UHFFFAOYSA-N", "SMILES:CCOc1ccc2ccccc2c1-c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSKVBMAJYCVQI-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cccc3c2SC2C=CC=CC2S3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYJVRDHINYCADN-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2c3ccccc3cc3ccccc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVEYXZMVSHHINQ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cccc3c2sc2ccccc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVRMGWIAVBXCS-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cccc3c2oc2ccccc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUXUMSQSVWNDS-LGAWVEOZSA-N", "SMILES:COC1=CC(=O)C(O)=C(C[C@]2(C)CC[C@@]3(C)C(C)=CCC[C@@H]3[C@@H]2C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4103758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMFXQLJYFCBVFD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJWXCFHIXLPHN-UHFFFAOYSA-N", "SMILES:O=C1C=C(O)C(=O)C(CC2CCC3CCCCC3C2)=C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPZDTCGTCGIOAJ-UHFFFAOYSA-N", "SMILES:Oc1cc(O)c(O)c(CC2CCC3CCCCC3C2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUBUZZAEHSAEGN-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc3nc4n(c(=O)c3c2)-c2ccccc2C4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOOSWGGEOOSLM-AKONZDDMSA-N", "SMILES:NCCS(=O)(=O)NC[C@H]1O[C@@H](n2c(C#CCOC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"name": "NAD kinase 1", "xref": ["CHEMBL.TARGET:CHEMBL3638359"], "id": "UniProtKB:Q721J8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:265669"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWARGWQQAOVGT-GMIOVBLFSA-N", "SMILES:NCCS(=O)(=O)NC[C@H]1O[C@@H](n2c(C#CCN(CC(=O)O)C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUQOPPJKJBQQN-GMIOVBLFSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CC#Cc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CNS(=O)(=O)CCNC(=O)C2)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHPRQGWVLUQCPR-WNZAMUCISA-N", "SMILES:NCC(=O)NC[C@H]1O[C@@H](n2c(C#CCN(CC(=O)O)C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXCAMBXJMFPQL-WNZAMUCISA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CC#Cc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CNC(=O)CNC(=O)C2)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESAVOLQOCRHDN-QJYUSYPVSA-N", "SMILES:NCCC(=O)NC[C@H]1O[C@@H](n2c(C#CCN(CC(=O)O)C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLJLUGLNRIXOB-QJYUSYPVSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CC#Cc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CNC(=O)CCNC(=O)C2)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SROHEFTVUSADJE-QJYUSYPVSA-N", "SMILES:NCCN(CC#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CNC(=O)CC(=O)O)[C@@H](O)[C@H]1O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMOGMPCPFUCJNQ-QJYUSYPVSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CC#Cc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CNC(=O)CC(=O)NCC2)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZDFSAEZKJJHU-GMIOVBLFSA-N", "SMILES:NCCNC(=O)NC[C@H]1O[C@@H](n2c(C#CCN(CC(=O)O)C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLVFONSSAAMYJB-GMIOVBLFSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CC#Cc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CNC(=O)NCCNC(=O)C2)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFWXIFMXYVCTQE-CGZJSAOLSA-N", "SMILES:NCCCNC(=O)NC[C@H]1O[C@@H](n2c(C#CCN(CC(=O)O)C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUVLXNMEOQXWRD-CGZJSAOLSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CC#Cc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CNC(=O)NCCCNC(=O)C2)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLZMNJBBBTJCU-ODXRKRKHSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1/N=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZJQSWBFEQRVFI-SUQUQSPJSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1/N=C/c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKKBEXUNPWJUEK-WJEOPBEZSA-N", "SMILES:Cc1ccccc1/C=N/N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXIVCVGTXXFVMO-SUQUQSPJSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1/N=C/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWENLZVISCLCNP-PFVOVTSXSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1/N=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2263567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQXAKQCBYIQNQF-POHAHGRESA-N", "SMILES:COC(=O)CN1C(=O)S/C(=C\\c2ccc(O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYXVDISJXDFOJO-UITAMQMPSA-N", "SMILES:O=C(CN1C(=O)S/C(=C\\c2ccc(O)cc2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1165680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGQMGJPMKHDJMH-UITAMQMPSA-N", "SMILES:O=C1S/C(=C\\c2ccc(O)cc2)C(=O)N1CC(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPIUUSRFMCEMK-DHDCSXOGSA-N", "SMILES:O=C(CN1C(=O)S/C(=C\\c2ccc(O)cc2)C1=O)Nc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4751683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBGHQXPTPWKQPM-NVNXTCNLSA-N", "SMILES:COc1ccc2nc(/N=C3\\NC(=O)/C(=C/c4ccc(O)cc4)S3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLVWXSWUTDGJBB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYNDBUPSFWRMGW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHQCTXFEJKQNF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(-c3nnn[nH]3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJIPJOLUCGLDJZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBKMWISZCKFISY-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHHBCHHBCWVKGI-UHFFFAOYSA-N", "SMILES:O=Cc1ccccc1-c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMWEBGBDQGPAM-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUHAXLFMSMJTNW-UHFFFAOYSA-N", "SMILES:O=Cc1cc(Cl)ccc1-c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMLNSVHIHRIWRU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccc(-c3nnn[nH]3)cc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQLSXDIMUUCALG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIVYFWHVFOGGL-UHFFFAOYSA-N", "SMILES:c1ncc(-c2ccc(-c3nnn[nH]3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLMPSGMCNFHIAY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQHDDRYLYGCFN-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYFRJXRNTNIABM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMJLDTYTQFOEX-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVAJNZWRVQKOM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFENYHBRFBDYQY-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CNC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1575426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLUMVCNEFHTQHD-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSXJROHZJFBGNA-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1SCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQUFFUIKKHIUPN-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOMNVNGEUJJKTH-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBVFHZNNAFLKK-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(NCc2ccccc2)n(C(=O)c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZLYQPMEODCXIY-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(N)n(C(=O)c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYABCCCGDQOSAX-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(N)n(C(=O)c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1373768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAWRGSTFBQBIN-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQQVVHNIHECBD-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1F)n1nc(-c2ccccn2)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPUPPHWIRAOZNM-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1nc(-c2ccccn2)nn1C(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QINGREKOIHZHSD-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)n1nc(-c2ccccn2)nc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXNPVXPOPUZYGB-MXSMSXNCSA-N", "SMILES:C[C@@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5425205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCCNZIMOOBWFDR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2ccccn2)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVNXUXQPRPLIJL-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cl)n1nc(-c2ccccn2)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGANQZJAQYZQKR-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1C(=O)n1nc(-c2ccccn2)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWONLFLWDWHANV-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2ccccn2)nc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOQAZCPBZGOHE-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1NCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYPYYUPYCYVRGI-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZDFYJGNLJAGU-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2ccccn2)nc1NCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDLZNNZPDZTET-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2ccccn2)nc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPSJBYFGZHSLRS-UHFFFAOYSA-N", "SMILES:CCC(=O)n1nc(-c2ccccn2)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1560937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYXHDNBDAGMIR-UHFFFAOYSA-N", "SMILES:CCC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRWGWPOWNIGMME-UHFFFAOYSA-N", "SMILES:CCC(=O)n1nc(-c2ccccn2)nc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBCWWGLFWYYKV-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)n1nc(-c2ccccn2)nc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXPRTMWKIGRBPY-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccccn2)nc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIDTVJXJNNXQMK-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(-c3ccccn3)nn2C(=O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXYKCKFKOIXOY-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(C(C)C)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBAVXLTVQJQBJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(C2CCCCC2)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URRRSTRASBRDPV-UHFFFAOYSA-N", "SMILES:CCC(=O)n1nc(-c2ccccc2F)nc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBZOCSIYWAUBO-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2ccccc2F)nc1NCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANUVTWSXLMQMFG-UHFFFAOYSA-N", "SMILES:O=C(c1ccsc1)n1nc(-c2ccccc2F)nc1NCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBDFCXKCBYWQN-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNIMYSUUNODCI-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccccn2)cc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQQZXIOGUZOFW-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccccc2)cc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMCZQRNRQDYRQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2cccnc2)cc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNQPUMUXIBVAKB-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccncn2)cc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKLHMYNFESHZQN-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ncccn2)cc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKBNXFGPDJRHZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2cccnn2)cc1NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYACMOIDLAKROO-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccccn2)cc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTFOGSBXRWPPT-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccccn2)cc1NCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEUONUPINQDKIZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccccn2)cc1NCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAKGETSMOIUJQQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccccn2)cc1NCc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZZRZNOQVABHDK-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2cccnn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDDFDCTOXWCPW-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCFLNBUTLQOCTK-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2c1OCCO2)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYVJWTIMUGEKIN-UHFFFAOYSA-N", "SMILES:O=C(c1ccoc1)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWQBEUBYLJLIMT-UHFFFAOYSA-N", "SMILES:O=C(c1ccsc1)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEBFKQLMLXUZFC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2nc(-c3ccccn3)cc2NCc2ccc(Cl)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVXBGRYAHQYGPW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C(=O)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCXOWNVHKQNII-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLALEVWEHUWBIP-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Oc1ccccc1)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLOWDPPGQRING-UHFFFAOYSA-N", "SMILES:CC(C)(CO)C(=O)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYCQSYBSMIPDLR-UHFFFAOYSA-N", "SMILES:COCC(C)(C)C(=O)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDGACNAMZQKEJ-UHFFFAOYSA-N", "SMILES:O=C(C1CCOCC1)n1nc(-c2ccccn2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQWCAFQHPZYVRU-UHFFFAOYSA-N", "SMILES:CC1(C(=O)n2nc(-c3ccccn3)cc2NCc2ccc(Cl)s2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHUGECHKFNXYQV-UHFFFAOYSA-N", "SMILES:CC1(C(=O)n2nc(-c3ccccn3)cc2NCc2ccc(Cl)s2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELDEMOVCFANHT-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccc[nH]c2=O)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGAASIPFIIVIDK-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2cccc(=O)[nH]2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVEVUFPGOLFMFM-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(-c2ccc(=O)[nH]c2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSQBPVBYRNAUHP-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(C2CCCN2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBUVMWLQTQGQAI-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(C2CCNCC2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKJRDIGNLTDKT-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(C2(C)CCNCC2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYSCPDFHLDZHKW-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(C2CCCNC2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUIRYOKRKINMQE-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(C2CCCO2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFFLXBFNNMPBAC-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(C2CCOCC2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUFJZSOKGCGIK-UHFFFAOYSA-N", "SMILES:CC(C)(CO)C(=O)n1nc(C2CCNCC2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDAWIVJQBNORMT-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(C2CCNCC2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMRQZCFRTDOLDV-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(C2CCNCC2)c(F)c1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYHLFIWGLVWPSH-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(C2CCNCC2)c(F)c1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJVJRNGBPQDBJO-UHFFFAOYSA-N", "SMILES:CC(C)(CO)C(=O)n1nc(C2CCNCC2)c(F)c1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCMYSYJWDJLIJN-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(C2CCOCC2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMEURFSIHPOQNR-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)n1nc(C2CCOCC2)c(F)c1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFTQATCWOMTQEU-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1nc(C2CCOCC2)c(F)c1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVMHUUDLPQAJH-UHFFFAOYSA-N", "SMILES:CC(C)(CO)C(=O)n1nc(C2CCOCC2)cc1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJQPLBDPVKEMM-UHFFFAOYSA-N", "SMILES:CC(C)(CO)C(=O)n1nc(C2CCOCC2)c(F)c1NCc1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1592087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHYIVKEECZGOU-UHFFFAOYSA-N", "SMILES:CC(=O)n1ccnc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5429428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRBJFEASMICLGH-UHFFFAOYSA-N", "SMILES:CCCC(=O)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQJQVNRNTPXDMP-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Oc1oc(-c2ccccc2)nc1CCCN/C(N)=N/[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCPQHJBTUAJQSF-UHFFFAOYSA-N", "SMILES:Cc1nc(CCCN/C(N)=N/[N+](=O)[O-])c(OC(=O)C(C)(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL268367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STCBJZIZCOASHY-UHFFFAOYSA-N", "SMILES:COC(=O)c1oc2c(sc3ccccc32)c1OC(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHEGNTGIAOTHHE-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2nccc3ccccc23)nn1C(=O)c1ccc2ccccc2c1"]}
{"name": "Prothrombin", "xref": ["CHEMBL.TARGET:CHEMBL1075308"], "id": "UniProtKB:P19221", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJBAXSCYXENBJ-UHFFFAOYSA-N", "SMILES:CN1N=C(N)c2c[nH]c3ncnc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAVYEUOHUUEIK-CTYIDZIISA-N", "SMILES:COc1ccc(NC2=NN([C@H]3CC[C@H](CO)CC3)c3ncnc4[nH]cc2c34)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRMBRVJLVANRZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(OC)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLSKAIYMKDRQBQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccccc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNSQQDTUQSLIZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(OC4CCCC4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLAQZCFKVBUKV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(OCC4CCCC4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJCQCKYSCSKYPB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(N4CCOCC4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDOAJXYTCPWXSU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(OCCOC)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMCJVQLDHFGMX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMDJOCGBOYTSBE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(Oc4ccccc4)cc3Cl)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRZMDIRJLVVAIQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(Oc4ccccc4)c(F)c3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUCZLCNYCFHWCW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(Oc4ccccc4)cn3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETMEYSAPWTDFF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3cccc(Oc4ccccc4)c3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIIQXWNUBFVDJM-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(Oc4ccccn4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDYADQPZQHNLB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(Oc4cccnc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGHMXHPZCFHFFX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(Oc4ccncc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQWKMMHXMMVVPF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(Oc4cnn(C)c4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXRQQRAHIFOCCX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(Nc4ccccc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGYMFKJUZWWJOJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(C(=O)Nc4ccccc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UERIZDGFMGFRRE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(C(=O)Nc4ccccn4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXHTURMFIAMLW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(C(=O)N4CCOCC4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXXORQDDMDNGW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(C(=O)NC4CCCCC4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXIWLIMPHFZRD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(N2N=C(Nc3ccc(C(=O)NC4CC4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FORQWDJKTBHMGW-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCC(N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTEPYTCFINNBOD-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCC(N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIIYNSBIZFRYAD-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLDJCSZWLWVMZ-RMKNXTFCSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCC(N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLWSSSFXEAEADE-QPJJXVBHSA-N", "SMILES:O=C(/C=C/CN1CCOCC1)N1CCC(N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYMGHNXWFAALW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMFVTAHMZDUCJB-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CC[C@H](N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMFVTAHMZDUCJB-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CC[C@@H](N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGVAQCYXOFSNBF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCC(N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPMGKCLJUMFBCC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(N2N=C(Nc3cccc(Oc4ccccc4)c3)c3c[nH]c4ncnc2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCQYTABWXHEZFL-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CC(N2N=C(Nc3cccc(Oc4ccccc4)c3)c3c[nH]c4ncnc2c34)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNGHDEVJWLTUOR-UHFFFAOYSA-N", "SMILES:Br.CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBVMOMJIVREQW-UHFFFAOYSA-N", "SMILES:Br.CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNQGAMOXHUQUQF-UHFFFAOYSA-N", "SMILES:Br.CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUQKOVZVFDXVOO-UHFFFAOYSA-N", "SMILES:Br.CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGUUDKYHNKTYOY-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1C(F)(F)F.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGABODYXROLXHW-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1C(F)(F)F.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWXWVEWQEFEFKR-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1C(F)(F)F.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUHRNUPLCHHVBN-UHFFFAOYSA-M", "SMILES:CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1C(F)(F)F.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHXVYPGLBMQPIV-UHFFFAOYSA-L", "SMILES:CC[N+](CC)(CCCCCn1c(C)cc(=O)n(CCCCC[N+](CC)(CC)Cc2ccccc2)c1=O)Cc1ccccc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3978212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFGCAZJFHWIMTD-XGICHPGQSA-N", "SMILES:O=C1/C(=C/c2ccc(=O)n(O)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFGMOGYMLLPYAC-AUWJEWJLSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHQVACZHLRURJL-RZNTYIFUSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Oc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1807311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRZQRDYRUVFAW-RZNTYIFUSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1807492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYJHNOWKRFWJRW-UUASQNMZSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGLODWQUMPWFP-MLPAPPSSSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Oc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEKAJWNGMOSVGF-AUWJEWJLSA-N", "SMILES:COc1cccc2c1O/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1814444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUKVFVMCLBWRHA-DXNYSGJVSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Oc2cc(O)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5425960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKBBTRUKCCIAIS-WCSRMQSCSA-N", "SMILES:CN(C)c1cc(O)c2c(c1)O/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRXJQWEFHAJMO-DXNYSGJVSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Oc2cc(F)cc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMQPURWPBXEMP-XGICHPGQSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Oc2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXENTSWEFWSVPG-NSIKDUERSA-N", "SMILES:Cc1c(O)ccc2c1O/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSIWHXMGOUJQG-XGICHPGQSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Oc2c1ccc(O)c2I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNWGDRCGRVMNPJ-VZUCSPMQSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Cc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTXSXXNWUNVNR-UXBLZVDNSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Cc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDLBDJAKWMWXIO-OVCLIPMQSA-N", "SMILES:CC1/C(=C\\c2ccc(O)cc2O)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VICKKLRFZVQNEX-QPEQYQDCSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDVYZAOWHMYFK-ACAGNQJTSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Nc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRPDQZITJSNPEN-AUWJEWJLSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIQCTOMLGGTIOK-RZNTYIFUSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Sc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVYFJAQEPTHFY-MLPAPPSSSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Sc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNPFZQVNZFLIC-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5396899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBBNHWPCXRIZDL-NSIKDUERSA-N", "SMILES:O=C1/C(=C/c2c(O)cc(O)cc2O)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZDVHIZQNJIKD-JOGWJQRPSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)CSc2nc3[nH]ccc3c(=O)[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOPUAJZYRMAJX-UHFFFAOYSA-N", "SMILES:O=C(C1=Cc2ccccc2S1(=O)=O)N1CCN(Cc2cc(F)c(F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQJLVRXLXOSDNI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc3ccc(O)cc3o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL512578", "category": ["biolink:ChemicalEntity"], "name": "MORACIN M", "xref": ["InChIKey:LHPRYOJTASOZGJ-UHFFFAOYSA-N", "SMILES:Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5424856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQKBROURKZUNY-UHFFFAOYSA-N", "SMILES:Oc1ccc2cc(-c3cc(O)c(O)c(O)c3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5428083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQNTSHUUBOKQL-UHFFFAOYSA-N", "SMILES:O=C1CCC(CSc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESSZBSLYSHLDN-UHFFFAOYSA-N", "SMILES:O=C1CCC(CSc2ccc(Cl)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVIKRIPLXUENOJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(SCC2CCC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAWXLZWSDZNXTL-UHFFFAOYSA-N", "SMILES:O=C1CCC(CSc2ccc(F)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVFVTRIZJFTEW-UHFFFAOYSA-N", "SMILES:O=C1CCC(CSc2ccc(Br)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGLHDANSQBSLX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(SCC2CCC(=O)NC2=O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZCOBCAEKIBJOY-UHFFFAOYSA-N", "SMILES:Cn1cnnc1SCC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOFICOBFVEIDG-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1SCC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHBTYOIMUAONL-UHFFFAOYSA-N", "SMILES:O=C1CCC(CSc2ccccc2[N+](=O)[O-])C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGPDPHWWUDYFET-UHFFFAOYSA-N", "SMILES:O=C1CCC(CSc2cccc([N+](=O)[O-])c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJZGQKXOQGZFH-UHFFFAOYSA-N", "SMILES:O=C1CCC(CSc2ccc([N+](=O)[O-])cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMRFUMNKQVWJJK-UHFFFAOYSA-N", "SMILES:O=C1CCC(CSCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYCETXDSZQZSS-UHFFFAOYSA-N", "SMILES:COc1ccc(CSCC2CCC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDDMGIZANZXQLO-UHFFFAOYSA-N", "SMILES:O=C1CCC(CSc2ccccn2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLABZCQLAKSNX-UHFFFAOYSA-N", "SMILES:O=C1CCC(CSc2ncccn2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNSVNXZWDZYMC-UHFFFAOYSA-N", "SMILES:Cc1ccnc(SCC2CCC(=O)NC2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCSWOFXOBEDFF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1SCC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGPLIXYOXPSSRZ-UHFFFAOYSA-N", "SMILES:Nc1cccc(SCC2CCC(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRRNCOUWDHEAEU-UHFFFAOYSA-N", "SMILES:Nc1ccc(SCC2CCC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELXYEXGBZIFJJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1SCC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGHAVCLWQUSZNI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(SCC2CCC(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMBNUXUWSOKCO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(SCC2CCC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWOOTRSQFSTMBW-UHFFFAOYSA-N", "SMILES:O=C1CCC(SCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOLQZHTTNLNIA-UHFFFAOYSA-N", "SMILES:O=C1CCC(CS(=O)(=O)c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQWHIMHUNQNNLT-UHFFFAOYSA-N", "SMILES:O=C1CCC(CS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRWKXCWLWRLPQL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)CC2CCC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCGRFYCBBZDEKG-UHFFFAOYSA-N", "SMILES:O=C1CCC(CS(=O)(=O)c2ccc(F)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSJXSITYLPIBLC-UHFFFAOYSA-N", "SMILES:O=C1CCC(CS(=O)(=O)Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZEUGNZMXAQLHL-UHFFFAOYSA-N", "SMILES:COc1ccc(CS(=O)(=O)CC2CCC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUXPGQWZJKTFP-RRPNLBNLSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISMZRBBCBQYOON-RRPNLBNLSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccc(O)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLTCLAPMBOUTSI-RRPNLBNLSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(O)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIVZERSKAAPANQ-RRPNLBNLSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccc(N)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXZJZWIKXMTJRZ-RRPNLBNLSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(N)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESPNRYBKODRHR-RPLLCQBOSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(O)c(O)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDSKGWIFTUVXFC-LOSJGSFVSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccc(O)cc3o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTQIUUDYANGYMW-LOSJGSFVSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(O)ccc3o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHRLMVZLPWBZEY-WIOPSUGQSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(O)c(O)cc3o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQIORONDKOADR-IZZNHLLZSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2o1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNOJPMGTGPRJW-IZZNHLLZSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccc(O)cc2o1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDSLNPVVCAFMS-IZZNHLLZSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(O)ccc2o1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEXHRVXZASPLE-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2coc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJGODGYTGRRUOZ-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2coc3cc(O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IONDRMOVYBKPCI-WUFINQPMSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2coc3ccc(O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHHDYIQPAPRLRB-JYFHCDHNSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2coc3cc(O)c(O)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFPJYDLSHRUSSK-LMSSTIIKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUOXOHBBJYHSF-LMSSTIIKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccc(O)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIKIAFVIUZXIKB-LMSSTIIKSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(O)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVYJZFEDCCNBE-ABYGYWHVSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMAISMEAXLGJB-AHKZPQOWSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccc(O)cc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEJOSQJXMYVXFB-AHKZPQOWSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(O)ccc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGZICOUKUKAST-WNCULLNHSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(O)c(O)cc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIUIYKOPXIPBDI-XTEPFMGCSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccc(O)cc2[nH]1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCJHWIBMCNRQS-XTEPFMGCSA-N", "SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(O)ccc2[nH]1)S(=O)(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYMPZHOVUSJMM-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBBJPJQYIJFJO-RUDMXATFSA-N", "SMILES:NC(=S)N/N=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDHKEQEBJQRRG-KPKJPENVSA-N", "SMILES:CN(C)c1ccc(/C=N/NC(N)=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXCHBLUHFURJF-UHFFFAOYSA-L", "SMILES:Clc1ccc2c(N3CCCC3)cc[n+](Cc3ccc(SCCSc4ccc(C[n+]5ccc(N6CCCC6)c6ccc(Cl)cc65)cc4)cc3)c2c1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSKNARNVAYOFM-UHFFFAOYSA-L", "SMILES:[Br-].[Br-].c1cc2c(N3CCCCC3)cc[n+](Cc3ccc(SCCSc4ccc(C[n+]5ccc(N6CCCCC6)c6ccsc65)cc4)cc3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIANIGGMUMZBW-UHFFFAOYSA-L", "SMILES:[Br-].[Br-].c1cc2c(N3CCCCCC3)cc[n+](Cc3ccc(SCCSc4ccc(C[n+]5ccc(N6CCCCCC6)c6ccsc65)cc4)cc3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIVJNZODNQAQG-UHFFFAOYSA-L", "SMILES:[Br-].[Br-].c1cc2c(s1)c(N1CCCC1)cc[n+]2Cc1ccc(SCCSc2ccc(C[n+]3ccc(N4CCCC4)c4sccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUKRWIIRARWEDT-UHFFFAOYSA-L", "SMILES:CN(c1ccccc1)c1nc[n+](Cc2ccc(SCCSc3ccc(C[n+]4cnc(N(C)c5ccccc5)c5sccc54)cc3)cc2)c2ccsc12.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNPFXSQZYGXCLA-UHFFFAOYSA-L", "SMILES:[Br-].[Br-].c1cc2c(s1)c(N1CCCC1)nc[n+]2Cc1ccc(SCCSc2ccc(C[n+]3cnc(N4CCCC4)c4sccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHVAYQASLGKQOY-UHFFFAOYSA-L", "SMILES:[Br-].[Br-].c1cc2c(s1)c(N1CCCCCC1)cc[n+]2Cc1ccc(SCCSc2ccc(C[n+]3ccc(N4CCCCCC4)c4sccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URWRTDLCEXNINN-UHFFFAOYSA-L", "SMILES:CN(c1ccccc1)c1cc[n+](Cc2ccc(SCCSc3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccccc54)cc3)cc2)c2ccccc12.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQUDCUULAOYULM-UHFFFAOYSA-L", "SMILES:CN(c1ccccc1)c1cc[n+](Cc2ccc(SCCSc3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccsc54)cc3)cc2)c2sccc12.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYIQOHVNRMUZJL-UHFFFAOYSA-L", "SMILES:CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(SCCSc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccccc54)cc3)cc2)c2ccccc12.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMZYTJAXUBSOGI-UHFFFAOYSA-L", "SMILES:CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(SCCSc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccsc54)cc3)cc2)c2sccc12.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKMMWKRBVLGAMC-UHFFFAOYSA-L", "SMILES:[Br-].[Br-].c1cc(SSc2ccc(C[n+]3ccc(N4CCCC4)cc3)cc2)ccc1C[n+]1ccc(N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGPEOWHPBUZKN-UHFFFAOYSA-L", "SMILES:[Br-].[Br-].c1cc2c(N3CCCCCC3)nc[n+](Cc3ccc(SSc4ccc(C[n+]5cnc(N6CCCCCC6)c6ccsc65)cc4)cc3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHBULBKJKUYLM-UHFFFAOYSA-L", "SMILES:[Br-].[Br-].c1cc2c(N3CCCCC3)nc[n+](Cc3ccc(SSc4ccc(C[n+]5cnc(N6CCCCC6)c6ccsc65)cc4)cc3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYOGZEMPDADCNW-UHFFFAOYSA-L", "SMILES:Clc1ccc2c(N3CCCC3)cc[n+](Cc3ccc(SSc4ccc(C[n+]5ccc(N6CCCC6)c6ccc(Cl)cc65)cc4)cc3)c2c1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTVGHZFNMJEVKO-UHFFFAOYSA-L", "SMILES:CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(SSc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccccc54)cc3)cc2)c2ccccc12.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUHTWIJSZASCV-UHFFFAOYSA-L", "SMILES:[Br-].[Br-].c1cc2c(s1)c(N1CCCC1)cc[n+]2Cc1ccc(SSc2ccc(C[n+]3ccc(N4CCCC4)c4sccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SATUPRSGUDXVIW-UHFFFAOYSA-L", "SMILES:CN(C)c1cc[n+](Cc2ccc(SSc3ccc(C[n+]4ccc(N(C)C)cc4)cc3)cc2)cc1.[Br-].[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAZFSIGEMZEZBO-UHFFFAOYSA-L", "SMILES:[Br-].[Br-].c1cc2c(s1)c(N1CCCC1)nc[n+]2Cc1ccc(SSc2ccc(C[n+]3cnc(N4CCCC4)c4sccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSIHWVIJKVDLGX-UHFFFAOYSA-N", "SMILES:CCCNCC(O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNCIVSBNPPMQQZ-UHFFFAOYSA-N", "SMILES:CCCCNCC(O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZLADUGVQKRPSQ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCO)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKYNVUVSASXFBU-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCCO)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHVFIPDZGJPKHJ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCN3CCCCC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBDACDSLLCKOM-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCN3CCOCC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZIIYKOXUDRVQH-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CN3CCCC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHBALUZYGPGAE-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CN3CCCCC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57185", "category": ["biolink:ChemicalEntity"], "name": "FLAVODILOL", "xref": ["InChIKey:KRBRHCLLOOCWQF-UHFFFAOYSA-N", "SMILES:CCCNCC(O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1"], "synonym": ["Flavodilol"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRSLVSKGQYDPLW-UHFFFAOYSA-N", "SMILES:CCCCNCC(O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL56338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFDRMTHLWBKEMX-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCO)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKOATZMXVZBPC-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCCO)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJYRJKYUHUFJP-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCN3CCCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIHCFXMXNMRTSC-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCN3CCOCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYRBQILOHVGBM-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CN3CCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPTOKISHGWHUGT-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2cc(OCC(O)CN3CCCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1326499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFDHMSXXELYMRW-ICSRJNTNSA-N", "SMILES:CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBVZCWDDTQDBJD-DEOSSOPVSA-N", "SMILES:CCc1ccccc1OC[C@@H](O)CNCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDWVNUSAKQPCN-QHCPKHFHSA-N", "SMILES:CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCC(c3ccccc3)c3ccccc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDXLTWWYPTGHL-BHWOMJMDSA-N", "SMILES:O[C@@H](CNCC1COc2ccccc2O1)COc1cccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAIIRKGKLCATBN-CFMCSPIPSA-N", "SMILES:O[C@@H](CNCC1COc2ccccc2O1)COc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRWTGUZQTWXFX-INIZCTEOSA-N", "SMILES:CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCc3ccc4c(c3)OCO4)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280822", "category": ["biolink:ChemicalEntity"], "name": "CGP-20712A", "xref": ["InChIKey:GKJZEKSHCJELPL-UHFFFAOYSA-N", "SMILES:Cn1cc(C(F)(F)F)nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLAWMUUFBMETJT-MYJWUSKBSA-N", "SMILES:CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCC3COc4ccccc4O3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGKGASQTOLJST-MYJWUSKBSA-N", "SMILES:O=c1ccc2ccc(OC[C@@H](O)CNCC3COc4ccccc4O3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVTGESYDUUOLAY-SFHVURJKSA-N", "SMILES:CC1(C)CC(=O)c2ccc(OC[C@@H](O)CNCCCc3ccccc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVTGESYDUUOLAY-GOSISDBHSA-N", "SMILES:CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCCCc3ccccc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRWTGUZQTWXFX-MRXNPFEDSA-N", "SMILES:CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCCc3ccc4c(c3)OCO4)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLAWMUUFBMETJT-LDCVWXEPSA-N", "SMILES:CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCC3COc4ccccc4O3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDWVNUSAKQPCN-HSZRJFAPSA-N", "SMILES:CC1(C)CC(=O)c2ccc(OC[C@H](O)CNCCC(c3ccccc3)c3ccccc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPCBAPDLZUNVMM-INIZCTEOSA-N", "SMILES:O=c1ccc2ccc(OC[C@@H](O)CNCCc3ccc4c(c3)OCO4)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKCGFPFUOZQWSP-VYRBHSGPSA-N", "SMILES:O[C@@H](CNCC1COc2ccccc2O1)COc1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNOCJBHUGVTCEE-CFMCSPIPSA-N", "SMILES:O=C1COc2cc(OC[C@@H](O)CNCC3COc4ccccc4O3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTRPEPVIITZQE-IBGZPJMESA-N", "SMILES:CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc3c(c2)OC(C)(C)CC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVKGBPZPBSGKD-IBGZPJMESA-N", "SMILES:CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc3ccc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDCEFNJOFNWFH-QFIPXVFZSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc4c(c3)OC(C)(C)CC4=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDOUPFFXEZTOHZ-QFIPXVFZSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc4ccc(=O)oc4c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLCLPUEULYDKB-FQEVSTJZSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCCCCNC[C@H](O)COc2ccc3c(c2)OC(C)(C)CC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYBNRJMUXGTKC-FQEVSTJZSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCCCCNC[C@H](O)COc2ccc3ccc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSIEBDSBBTMDU-SFHVURJKSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCCNC[C@H](O)COc2ccc3c(c2)OC(C)(C)CC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEIJPSNIPPNIDC-SFHVURJKSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCCNC[C@H](O)COc2ccc3ccc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXOXDNSTNUEAMN-UHFFFAOYSA-N", "SMILES:OCCN1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTJYBUZBUBHRU-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNLQHYUTZZFLQS-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NISUXBCLNRMWTQ-UHFFFAOYSA-N", "SMILES:OC1CN(CCN2CCN(c3ncccc3C3Nc4ccccc4-n4cccc43)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCAGGRGZXPTHKY-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)NC(c1cccnc1N1CCN(CCN3CCCC3)CC1)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTQHMPQEBCSTR-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)NC(c1cccnc1N1CCN(CCn3ccnc3)CC1)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHHEYVFGYOBOT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)-n1cccc1C(c1cccnc1N1CCN(CCN(C)C)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPWMLARKMPFKO-UHFFFAOYSA-N", "SMILES:Clc1ncccc1C1Nc2ccccc2-n2cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTQTNBYRFIBHC-UHFFFAOYSA-N", "SMILES:CN(C)c1ncccc1C1Nc2ccccc2-n2cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJHLQXZTJIRQW-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)NC(c1cccnc1N1CCC1)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLACBJPITLXLKR-UHFFFAOYSA-N", "SMILES:OC1CN(c2ncccc2C2Nc3ccccc3-n3cccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORKVWIEDFVHLA-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)NC(c1cccnc1N1CCCC1)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBSIYTVONDQGC-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBSHVQXVLAKPE-AQKKSAQBSA-N", "SMILES:CN1C[C@@H]2CN(c3ncccc3C3Nc4ccccc4-n4cccc43)C[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JESYWCPDTDIYOW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYJSCPZCQXHNF-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEIDKFTVAUSBRJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUGZLDROOMTIQ-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)NC(c1cccnc1N1CCOCC1)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPBQEWFBIKGKO-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSRQDIJGAZXPRY-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWERQUWYEZHNGV-UHFFFAOYSA-N", "SMILES:OC1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJYGHLGRAQXJB-UHFFFAOYSA-N", "SMILES:c1ccc(N2CCN(c3ncccc3C3Nc4ccccc4-n4cccc43)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMDWDHSOWWAYTH-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)NC(c1cccnc1N1CCC(N3CCCC3)CC1)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4865772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAMWPGYTHHLISY-UHFFFAOYSA-N", "SMILES:NCCOc1ncccc1C1Nc2ccccc2-n2cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDWYVRIAVMICON-UHFFFAOYSA-N", "SMILES:COCCCN1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBQBRKNOBEIQK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CN1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLAXVLJJKLVKU-UHFFFAOYSA-N", "SMILES:N#CCN1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYZLPTVZHCASP-UHFFFAOYSA-N", "SMILES:NC(=O)CN1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVWIBBGSTCYSPL-UHFFFAOYSA-N", "SMILES:O=C(CCl)N1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLIIVBWHOCQAE-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)N1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIPCPRSGKJZSF-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1)N1CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZRODJBTUPSJRF-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)NC(c1cccnc1N1CCN(CCN3CCC3)CC1)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVZWUIZCBYYLE-UHFFFAOYSA-N", "SMILES:O=C1CCCN1CCN1CCN(c2ncccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLQZEVRFESTVGK-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)NC(c1cccnc1N1CCN(CCN3CCOCC3)CC1)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUKZUNXDDXMHKP-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ccncc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLMWNJYXYARFA-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2nccnc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNPYCBEAACVPZ-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ncc(Cl)cc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILMQAXKUKXVRCB-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ccccc2C2Nc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRPTHUWSQFJOU-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ccccc2-n2cccc2C1c1cccnc1N1CCN(CCN(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVDVCGWTTMTXRI-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ncccc2-c2nc3ccccc3n3cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGRMZKFZDCRTLM-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ncccc2C2Oc3ccccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEMWPQGUMUTZFN-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(-c3cccnc3N3CCN(CCN(C)C)CC3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKTFJFLBVKNXJK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)-n1cccc1C(c1cccnc1N1CCN(CCN(C)C)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLRWWIMDSPJWHL-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ncccc2C2Oc3ccc(F)cc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDEXZDLZUKFISH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)OC(c1cccnc1N1CCN(CCN(C)C)CC1)c1cccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAPQKSHFURNLDK-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ncccc2C2Oc3cc(CO)ccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHMHGFZTTRDKBP-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ncccc2C2Oc3cc(C(N)=O)ccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYMGJQKZYOQMC-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ncccc2C2Oc3cc(C(=O)NCCS(C)(=O)=O)ccc3-n3cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLRLPWWGUMKTOY-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ncccc2C2Oc3ccccc3-n3c(CO)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWBKOCQDIWUQV-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2ncccc2C2Oc3ccccc3-n3c2ccc3C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBEOJWWGPVRUFH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccccc1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLEVRSLETWDQBY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(O)cc1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSXDTCHPSPCCB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(O)cc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRKXQHCPGBZSTF-VNXSLSSRSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHPBYXONXKKGD-UHFFFAOYSA-N", "SMILES:C=CCCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(N)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPUSFEPMEYDXGZ-UHFFFAOYSA-N", "SMILES:C=CCCC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(O)c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBAQIRZVUCOWLN-UHFFFAOYSA-N", "SMILES:C=CCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)CC=C)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDUQTYWDCLLOKJ-UHFFFAOYSA-N", "SMILES:C=CCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)CCC=C)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKGZSHGSSYPBJ-UHFFFAOYSA-N", "SMILES:C=CCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)CCC=C)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHGJAYPGNVSLK-UHFFFAOYSA-N", "SMILES:C=CCCC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(=O)CCC=C)c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWUQCPTGZHYML-UHFFFAOYSA-N", "SMILES:C=CCCOc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)CCC=C)nn3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXLJXJABLVQGOT-UHFFFAOYSA-N", "SMILES:C=CCCCOc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)CCC=C)nn3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVTJMCKJANWZHC-UHFFFAOYSA-N", "SMILES:C=CCCCCOc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)CCC=C)nn3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZTWMYZRVSMPOP-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(O)c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJMHVRVQEYTFBJ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC)c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUTUULZQSBYEO-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OCC)c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQDLFKVMFJPWSX-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OCCC)c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAYAOBTUWWULC-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)CCCC)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZCFHXBAEYCIDL-UHFFFAOYSA-N", "SMILES:CCCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)CCCC)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LECPDYXHNKGSCQ-UHFFFAOYSA-N", "SMILES:CCCCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)CCCC)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXEIATRDAMLXNH-UHFFFAOYSA-N", "SMILES:CCCCCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)CCCC)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOBYLUVPUEWTG-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)CCCC)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMCUFDJKNLAIFV-UHFFFAOYSA-N", "SMILES:C#CCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)CCCC)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNDVVUDVGVYHE-UHFFFAOYSA-N", "SMILES:C#CCCC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(O)c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFRRYCWOQHISO-UHFFFAOYSA-N", "SMILES:C#CCCC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(=O)CCC#C)c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKTOUVDXRKUEHB-UHFFFAOYSA-N", "SMILES:C#CCCC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OCCC=C)c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNPCXUBGJSWXQO-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(N)c3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUFUYGKCZKLIK-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)C4CC4)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZJLWPDCHDXGN-UHFFFAOYSA-N", "SMILES:CCCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)C4CC4)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXPWTRZOFJJDV-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)C4CC(F)(F)C4)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPIBSKINZSTHD-UHFFFAOYSA-N", "SMILES:CCCCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)C4CC(F)(F)C4)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISVZLZZROSKPQE-UHFFFAOYSA-N", "SMILES:C=CCCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)C4CC(F)(F)C4)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNIOHJBGKHAOD-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(CC(=O)Nc2ccc(N3CCC(Nc4nnc(NC(=O)CCCC)s4)CC3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBMNCZTNJVATG-UHFFFAOYSA-N", "SMILES:C=CCCOc1cccc(CC(=O)Nc2ccc(N3CCC(Nc4nnc(NC(=O)CCC=C)s4)CC3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZGTXEWHUIYWRS-UHFFFAOYSA-N", "SMILES:C=CCCCCOc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)CCC=C)s3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTLONWPIGDEGH-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1ccc(NC(=O)Cc2ccccc2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGHNCIMZMFKLQY-ZHACJKMWSA-N", "SMILES:CCC(C(=O)Nc1ccc(/C=C/C(=O)NO)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGIUFXLFKQTSTL-ZHACJKMWSA-N", "SMILES:CC(C)C(C(=O)Nc1ccc(/C=C/C(=O)NO)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWNDWJOZUOTNQ-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1ccc(NC(=O)Cc2ccc3ccccc3c2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRGGSUAGUNPRJ-OUKQBFOZSA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1ccc(NC(=O)Cc2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEPAMHXMUVZJW-CCEZHUSRSA-N", "SMILES:CCC(C(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2N)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSYBGBJFUPVDFJ-CCEZHUSRSA-N", "SMILES:CC(C)C(C(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2N)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMJOWVWAMFAJEG-ISLYRVAYSA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIUOOORWOOGXTR-CCEZHUSRSA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1ccc(NC(=O)Cc2cccc3ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUGSSCHUUDEPF-BUHFOSPRSA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1ccc(NC(=O)Cc2ccc3ccccc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCGDOSZEMWAGW-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc(C(=O)NO)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBCVVCMLWNQKF-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(C(=O)NO)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUWADUNXSFHSV-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)Nc1ccc(C(=O)NO)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAILFCZRLHSBV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCBQKQIFFSMTN-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc2ccccc12)Nc1ccc(C(=O)NO)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXBFTGGZAUGDB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2ccccc2c1)Nc1ccc(C(=O)NO)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKABFVCWLNMLRQ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURJZODGZORJTC-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNRSLYWHUKPYNM-UHFFFAOYSA-N", "SMILES:CC(C)C(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHYDBMDOANLJV-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNVLAIWDVXDJR-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1ccc(NC(=O)Cc2cccc3ccccc23)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUOLFAHJLGZFME-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHPPFRGEVZIHW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc3ccccc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKGGJRKSUFFCP-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(CC=C(C)C)c(O)c(O)c2CCC=C(C)C)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGLDGYNRYHBLSD-UHFFFAOYSA-N", "SMILES:C=C(C)C(O)Cc1cc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNIHIUAFSDTHTC-UHFFFAOYSA-N", "SMILES:C=C(C)C(O)Cc1cc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC)cc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNXUWMJDPDWPAX-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(O)c(O)c(CC=C(C)C)c2)oc2c3c(cc(O)c2c1=O)OC(C(C)(C)O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPDGTVKWTZUTM-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(O)c3c(c2)CC(C(C)(C)O)O3)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKYLOIMXUHPDA-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(O)c(O)c(CC=C(C)C)c2)oc2cc(O)cc(O)c2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5397900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPPCSQOTUZTHR-UHFFFAOYSA-N", "SMILES:COc1c(-c2cc(O)c(O)c(CC=C(C)C)c2)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5413733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUWRPEGSZKAYCY-UHFFFAOYSA-N", "SMILES:COc1c(-c2ccc(O)c(O)c2)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZUPZUDBQBABD-OVCLIPMQSA-N", "SMILES:COc1c(-c2ccc(O)c(O)c2)oc2c(C/C=C(\\C)CCC=C(C)C)c(O)cc(O)c2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL300520", "category": ["biolink:ChemicalEntity"], "name": "b-D-GALACTOSE", "xref": ["InChIKey:WQZGKKKJIJFFOK-FPRJBGLDSA-N", "SMILES:OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5397352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDJVODUXIZSKO-KLFXLRMESA-N", "SMILES:OC[C@H]1O[C@@H](OCc2cn([C@@H]3[C@H](O)[C@@H](O)[C@H](c4cn([C@H]5[C@H](O)[C@@H](O)[C@H](n6cc([C@@H]7O[C@H](CO)[C@@H](n8cc(CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)nn8)[C@H](O)[C@H]7O)nn6)O[C@@H]5CO)nn4)O[C@@H]3CO)nn2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSNEURHIUMDFR-CHUNWDLHSA-N", "SMILES:Cc1cc(=O)oc2cc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPHPUYQFMNQIOC-NXRLNHOXSA-N", "SMILES:CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5410496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJEZVJVQBADEGN-SJHCENCUSA-N", "SMILES:COc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHAVINMIXXQBJ-FQKPHLNHSA-N", "SMILES:CC(C)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGAYVVFLFIUGJC-SJHCENCUSA-N", "SMILES:O=Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBZLSXWJZVCBJ-YNIWLMFPSA-N", "SMILES:COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVAGOBPLOKGCV-JRHQVFHGSA-N", "SMILES:C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXBHOHBIBVREQU-IFLJBQAJSA-N", "SMILES:C=C(c1ccc(OC)cc1)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMJHQLOIIOABV-IFLJBQAJSA-N", "SMILES:C=C(c1ccc(OC)cc1)c1cccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVNJVIPSSHIWGP-BAHGYDIPSA-N", "SMILES:C=C(c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIUXRKVBMYYUDM-YBBPNLDZSA-N", "SMILES:C=C(c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cccc(S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXVPPIDPYKSTHU-OIMDVHNCSA-N", "SMILES:CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSZGQLGRVXQMI-NEVCITSRSA-N", "SMILES:NCC[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPIWGKKRNATST-XKNKYKOPSA-N", "SMILES:O=C(Cc1ccc(OP(=O)(O)O)cc1)NCC[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTDOBYUVNMWCP-XKNKYKOPSA-N", "SMILES:O=C(Cc1cccc(OP(=O)(O)O)c1)NCC[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKQIQGYTBXNJCV-XKNKYKOPSA-N", "SMILES:O=C(Cc1ccccc1OP(=O)(O)O)NCC[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETOJXZNHNEKLG-KGKICYMHSA-N", "SMILES:O=C(Cc1ccccc1OP(=O)(O)O)NCC[C@@H]1N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XECPAIJNBXCOBO-AJSXGEPRSA-N", "SMILES:O=C1O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4651133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWOHTVJCCDCCS-LKELSTGYSA-N", "SMILES:O=C1N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOIIKUVZVENLR-LKELSTGYSA-N", "SMILES:O=C(O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOLKQYKZMJWAA-FWDYUDCJSA-N", "SMILES:O=C(/C=C/c1ccccc1)NCc1cn([C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQKZMBDISJYOPD-ORELYVPDSA-N", "SMILES:O=C(O)[C@]1(F)O[C@@H](F)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYAGBYGVNRNMRN-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(CS(C)(=O)=O)ccc2N)n2cc[nH]c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGFFFLRSLIQRNV-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CNc1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWXBTIMUJGZFCF-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(c1ccccc1)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIROCRGPRFGGFM-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(CC1CC1)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXIPODWWRVRNW-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1ccccc1)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJPYEKIYHKRRD-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(S(=O)(=O)c1ccccc1)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXIQFUTWKZRFPS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1Cc2c[nH]c(=O)c3c(C)cc(n23)-c2cc(CS(C)(=O)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXQRTHFNZSVQF-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)N2Cc3c[nH]c(=O)c4c(C)cc(n34)-c3cc(CS(C)(=O)=O)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJISXUDMQQHNG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2Cc3c[nH]c(=O)c4c(C)cc(n34)-c3cc(CS(C)(=O)=O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZSRTKUOKJCLI-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)N2Cc3c[nH]c(=O)c4c(C)cc(n34)-c3cc(CS(C)(=O)=O)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSBTEDKKORJTR-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(C(=O)N2Cc3c[nH]c(=O)c4c(C)cc(n34)-c3cc(CS(C)(=O)=O)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPCFAZTZYVOVRJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C(=O)N2Cc3c[nH]c(=O)c4c(C)cc(n34)-c3cc(CS(C)(=O)=O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFVNILLNCLFHR-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1cccnc1)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCCUPIKSEXLSMF-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1cccc3sccc13)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHHELWQSAJXTP-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1ccc3sccc3c1)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFNWTTILRQTRMF-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1cc3ccccc3s1)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEWAKOHDPHDJQK-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1csc3ccccc13)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVWVGWHDUPYUFQ-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1cccc3ccccc13)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEDEKFDZMUCGJ-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1ccc3ccccc3c1)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEWFMNWVHUNEE-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1ccnc3ccccc13)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMCFSJNMHXNVFH-UHFFFAOYSA-N", "SMILES:Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1cccc3c1OCCO3)c1ccc(CS(C)(=O)=O)cc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZPZAEMMLAMRGF-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOKPLOVJMNCCSD-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1720677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNLCKUOEYOMNTL-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccccc1C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBGBUHJAIQOPQ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1cc(Cl)ccc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHVUHWOWQROTL-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1cc(Cl)ccc1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXJUIPKLURQMX-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1cc(Cl)ccc1C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZDZGZZXPRYQN-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccc(Cl)cc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMZLWWILNNBSC-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccc(Cl)cc1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCQDKWAOITQSX-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccc(Cl)cc1C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVVODNKYJQZJQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccccc2)c(OCc2c(C)noc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGXZJOUGHNYQGO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCc2ccccc2)c(OCc2c(C)noc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPOYJBACVNYNKD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCCc2ccccc2)c(OCc2c(C)noc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVOXDXZZJKIBOG-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2c(C)noc2C)c(C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCABCFKVVOOFKM-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2c(C)noc2C)c(C(=O)NCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOGUDJPJHFFWJD-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2c(C)noc2C)c(C(=O)NCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABAAODMMTWRRFV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccccc2)c(OCc2c(C)noc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPWEOAOFAQGNU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCc2ccccc2)c(OCc2c(C)noc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUMNXICEZVLTPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCCc2ccccc2)c(OCc2c(C)noc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHKLFPWLLRWNCK-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHPRIIQRZBMZCP-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHFYZHLHHBMGO-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUPXIAWRJFYWOF-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1ccccc1OCc1c(C)noc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1475833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSTULYRIYIKOEZ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHRQPGVODRTSU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPKPKQOCNMAUHN-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBCRFZDGOAATHA-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKSNWIKHGILEOU-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWJOSLAOUWTEZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2c(C)noc2C)c(C(=O)Nc2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRMIUMMECYEMM-ZLPAWPGGSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNFOVAOPUWXLQ-YFNBXRJXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQLYVXUNPYUDD-XVVGAHJOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEIBUTUKEGXATE-IIWMTREJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(N)cc1)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEISBXPRGXVDQW-HZKNJPMESA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C"]}
{"name": "Dynamin-1", "xref": ["CHEMBL.TARGET:CHEMBL4958"], "id": "UniProtKB:Q05193", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1476463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBJEDZHBUPBKL-UHFFFAOYSA-N", "SMILES:CN(C)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL411084", "category": ["biolink:ChemicalEntity"], "name": "WISKOSTATIN", "xref": ["InChIKey:XUBJEDZHBUPBKL-ZDUSSCGKSA-N", "SMILES:CN(C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3774960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBJEDZHBUPBKL-CYBMUJFWSA-N", "SMILES:CN(C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5428698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRJKISUGFXPPMT-ZDUSSCGKSA-N", "SMILES:CN(C)C[C@H](O)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRJKISUGFXPPMT-CYBMUJFWSA-N", "SMILES:CN(C)C[C@@H](O)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWXMTLLUDXGNQ-IBGZPJMESA-N", "SMILES:Cc1ccc(CNC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWXMTLLUDXGNQ-LJQANCHMSA-N", "SMILES:Cc1ccc(CNC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKXFKTYWDQZGU-SFHVURJKSA-N", "SMILES:O[C@@H](CNCc1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKXFKTYWDQZGU-GOSISDBHSA-N", "SMILES:O[C@H](CNCc1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUOWQBINLHTCLP-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(Cl)cc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQKNJJEFRPCTK-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(Cl)cc1)Cn1c2ccccc2c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLWHCFPNGDEQA-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(Cl)cc1)Cn1c2ccccc2c2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSJODJGUYLIDK-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(Cl)cc1)Cn1c2ccccc2c2cc(-c3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZYSVPCRYAABNK-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(Cl)cc1)Cn1c2ccccc2c2ccc(-c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZSASBQWOBBQB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORJWXUNKBLRFK-UHFFFAOYSA-N", "SMILES:OC(CNc1ccccc1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1198288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKKRSGGFNLVQB-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccccc1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILWAMJEBMIRGY-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)CC(O)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDFNALDCVSROKX-UHFFFAOYSA-N", "SMILES:OC(CNCc1cccc2ccccc12)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZPPYAOPHDYEY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNCC(O)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLTDIGFYMVCGFT-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNCC(O)Cn2c3ccccc3c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWXMTLLUDXGNQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNCC(O)Cn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUNLZQIXDDMDQG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CNCC(O)Cn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOPJZDHTYNPTO-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(-c2ccccc2)cc1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1416329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNQPYACHVDAKM-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCC(O)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTNGDSBNZBRBCD-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCC(O)Cn2c3ccccc3c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPSQJRXPHSFXRA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCC(O)Cn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJNBLDNAEMQOMO-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccccc1Cl)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBGYMEZQFLKKGL-UHFFFAOYSA-N", "SMILES:OC(CNCc1cccc(Cl)c1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKXFKTYWDQZGU-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQNYCOGFYUCDGG-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(Br)cc1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZNDTWIXGJQWJO-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(F)cc1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDCNIABSGKSPC-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(C(F)(F)F)cc1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZMYIAPINYWJO-UHFFFAOYSA-N", "SMILES:Nc1ccc(CNCC(O)Cn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXFXXWTZMIFKOG-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=Nc1ccc(CNCC(O)Cn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMIFEAGMULFMBQ-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccccn1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHHMSXRKBNSCFP-UHFFFAOYSA-N", "SMILES:OC(CNCc1ccc(Cl)c(Cl)c1)Cn1c2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324665", "category": ["biolink:ChemicalEntity"], "name": "CARAZOLOL", "xref": ["InChIKey:BQXQGZPYHWWCEB-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12"], "synonym": ["Carazolol", "Conducton", "Suacron", "BM 51052", "BM-51052"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2442630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHHRERIIVOATI-UHFFFAOYSA-N", "SMILES:OC(CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTSGIPOYQGJMN-UHFFFAOYSA-N", "SMILES:CN(C)c1ncc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQWARVNRBSZQJ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ncc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCZZHBQDWTVFB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cnc(N3CCCC3)nc2s1)c1ccc(Cl)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVMEYUQOLUMFV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc3nc(NC(=O)c4ccc(Cl)cc4)sc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVSXDRNBFPTHSS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc3nc(NC(=O)c4ccc(Cl)c(Cl)c4)sc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHOWGYPRUVOSG-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(c2ncc3nc(NC(=O)c4ccc(Cl)c(Cl)c4)sc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMFQKIQGQNBBKT-UHFFFAOYSA-N", "SMILES:Cc1nc2cccc(NCc3ccc(CN4CCCCCC4)cc3F)c2c(=O)n1C1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLZUGZPJSBWIZ-UHFFFAOYSA-N", "SMILES:Cc1nc2cccc(NCc3ccc(CN4CCOCC4)cc3)c2c(=O)n1C1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDBRGJBHAYWSGB-UHFFFAOYSA-N", "SMILES:Cc1nc2cccc(NCc3ccc(CN4CCSCC4)cc3)c2c(=O)n1C1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLNHVUFOSXOJAU-UHFFFAOYSA-N", "SMILES:Cc1nc2cccc(NCc3ccc(CN4CCCCCC4)cc3)c2c(=O)n1C1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSKXNGUSVVXTPI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(N=[N+]=[N-])c2nc(SC(C)C)[nH]c(=O)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOCZBWKIZDMCQP-UHFFFAOYSA-N", "SMILES:CCc1c(C(N=[N+]=[N-])c2ccc(C)cc2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTIVTUOPMNUJHI-UHFFFAOYSA-N", "SMILES:CCc1c(C(N=[N+]=[N-])c2cc(C)cc(C)c2)nc(SC(C)C)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXBZYPWIKQOGU-PZVNJASESA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C(=O)NCCCCCNC(=O)c2ccc(C(=O)Nc3cccc(Nc4cc(-c5c[nH]c6ccccc56)ncn4)c3)cc2)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTDCDTBNGFMRRQ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCCC(=O)Nc4ccc(C(=O)Nc5cccc(Nc6cc(-c7c[nH]c8ccccc78)ncn6)c5)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHEPCDBDAFRFEB-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCC(=O)Nc4ccc(C(=O)Nc5cccc(Nc6cc(-c7c[nH]c8ccccc78)ncn6)c5)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTWSWCKUKINHCE-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRATIGBUINAEP-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCC(=O)Nc1cccc(Nc2cc(-c3c[nH]c4ccccc34)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKIBUOTRGQJAN-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCC(=O)Nc1cccc(Nc2cc(-c3c[nH]c4ccccc34)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHSZIUETDVPOD-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCC(=O)Nc1cccc(Nc2cc(-c3c[nH]c4ccccc34)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIZQRWDSILJJFW-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCOCCC(=O)Nc1cccc(Nc2cc(-c3c[nH]c4ccccc34)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGOWTRPVWVULW-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(C#CCCCC(=O)Nc4cccc(Nc5cc(-c6c[nH]c7ccccc67)ncn5)c4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIGKYOKLPWFUMA-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(C#CCCCCCC(=O)Nc4cccc(Nc5cc(-c6c[nH]c7ccccc67)ncn5)c4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGSHJSFRZGXULC-GRJUDLRDSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CC(=O)Nc2ccc(C(=O)Nc3cccc(Nc4cc(-c5c[nH]c6ccccc56)ncn4)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRRLGMJRGJIFKI-IQCJMTHFSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(=O)Nc2ccc(C(=O)Nc3cccc(Nc4cc(-c5c[nH]c6ccccc56)ncn4)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVROYUNCJZYXTR-UDXLMCJQSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCC(=O)Nc2ccc(C(=O)Nc3cccc(Nc4cc(-c5c[nH]c6ccccc56)ncn4)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNUFSPNWFIFKRZ-CQAOCKLSSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCC(=O)Nc2ccc(C(=O)Nc3cccc(Nc4cc(-c5c[nH]c6ccccc56)ncn4)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFFGMBKSYYLMZ-RCAGLHOYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)Nc2ccc(C(=O)Nc3cccc(Nc4cc(-c5c[nH]c6ccccc56)ncn4)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBIMQAOXLYNYRP-KELVZPCWSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)SCCCCCNC(=O)c1ccc(C(=O)Nc2cccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVFLGUXXBCPPSA-LQGPBPIKSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1OCCCCCNC(=O)c1ccc(C(=O)Nc2cccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)c2)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGMQVFKPKFXDV-JMSRYGQUSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCNC(=O)c2ccc(C(=O)Nc3cccc(Nc4cc(-c5c[nH]c6ccccc56)ncn4)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKIHBXFTEAZOLM-NPSGEOLXSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(C(=O)Nc3cccc(Nc4cc(-c5c[nH]c6ccccc56)ncn4)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUFANNJMJXJCH-PUBPVMGHSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCNC(=O)c2ccc(C(=O)Nc3cccc(Nc4cc(-c5c[nH]c6ccccc56)ncn4)c3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTCDRPGJZOKQC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFNYCXYCYLTJD-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(C(=O)NCCN4CCOCC4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTBTGMFPPEREB-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cn3c(C(=O)NCCN(C)C)cnc3cn2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQJWGAPUJEXSC-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cn3c(C(=O)NCCc4ccccc4)cnc3cn2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBNCOYNVYRPOTO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cn3c(C(=O)NCc4cn(CCCN5CCOCC5)nn4)cnc3cn2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXZGKFJORQIGIO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cn3c(C(=O)NCc4cn(CCN5CCOCC5)nn4)cnc3cn2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGYEJZAWUHKFO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cn3c(-c4cn(CCN5CCOCC5)nn4)cnc3cn2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBQULZCKNNNCR-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cn3c(-c4cn(CCN(C)C)nn4)cnc3cn2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQGOPQCLPAKKCS-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cn3c(-c4cn(CCN5CCN(C)CC5)nn4)cnc3cn2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCLJJGLBNNNGR-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cn3c(-c4cn(CCN5CCCC5)nn4)cnc3cn2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBEIQVKAFNMDDT-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(C(=O)NCCc4ccccc4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPEROUVBIVTPJI-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(C(=O)NCc4cn(CCN5CCOCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZLZHMPGMTLSG-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(C(=O)NCc4cn(CCCN5CCOCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEBVXWFAVFYMJC-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCN5CCOCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFBYEGMDFYMHF-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCN(C)C)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDYLGBKRNAOKO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCN5CCN(C)CC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVKLWXNXKPORJ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCN5CCCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESIQPPUUHXPJO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHWJIRJWGJAOBO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCN(C)CC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFNIKAGKLDHJX-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCCCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLVDFWRJWQJSRW-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCOCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZKAQNNZJRDQC-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCOCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPCHRXNVLOIRD-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCOCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFKOMHCJUJVMTD-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCOCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZADACQWOYYCBA-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCOCC5)nn4)n3n2)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRAFEDZRPAEKAD-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cn(CCCN5CCOCC5)nn4)n3n2)c1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBFUXVZBDLJWNU-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCOCC5)nn4)n3n2)cc1NS(=O)(=O)c1ccc(CC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPJWTULWKYRTQ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCN(C)CC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPYVVZZLDOPKE-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1ccc2cnc(Nc3cccc(CN4CCOCC4)c3)nc21)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXPUPCOQFNPST-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cccc(Nc3ncc4ccn(CCCNC(=O)C5CCC5)c4n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVADRMQCYNOPPE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(Cc2cccc(Nc3ncc4ccn(CCCNC(=O)C5CCC5)c4n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIFSGFIIXZIBN-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1ccc2cnc(Nc3cccc(CN4CCN(C5COC5)CC4)c3)nc21)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLLIRITIQDYIK-UHFFFAOYSA-N", "SMILES:COCCN(C)Cc1cccc(Nc2ncc3ccn(CCCNC(=O)C4CCC4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYGRYKGPVSRJH-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(-n2ccc3cnc(Nc4cccc(CN5CCOCC5)c4)nc32)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLCJPWBMNNNHY-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1cc(Cl)c2cnc(Nc3cccc(CN4CCOCC4)c3)nc21)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPTXEHKKUVKVBK-UHFFFAOYSA-N", "SMILES:O=C(NCCCn1cc(Br)c2cnc(Nc3cccc(CN4CCOCC4)c3)nc21)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COAQZNWFYPZTGQ-UHFFFAOYSA-N", "SMILES:Cc1cn(CCCNC(=O)C2CCC2)c2nc(Nc3cccc(CN4CCOCC4)c3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMGPEZYNKMDAZ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)c2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEXGQMMDCSHIKZ-UHFFFAOYSA-N", "SMILES:CN1N=C(C(F)(F)F)C2C=C(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)C(=O)NC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXGBYSAXMQFMOS-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c(=O)[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADIIHOLPIKBXOI-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3[nH]c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RENUPLILDMAHQU-UHFFFAOYSA-N", "SMILES:CCCCn1cnnc1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3[nH]c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEMNCAAPYUEPRZ-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CCCC4)n3)c(=O)[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOCJHLKGIBIPME-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc2c(C(F)(F)F)nn(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIOCZHYMYQCUQM-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CCCC4)n3)c(OCc3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APXVOPNQBZVJFX-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c(OCc3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXUGPXJGFKTLKM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2cnn(C3CCC3)c2)cn(Cc2ccccc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WECQKABGXMVKCI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2cnn(C(F)F)c2)cn(Cc2ccccc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVUYLEIQIWPBKV-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2cc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c(=O)n(Cc3ccccc3F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLRUZODWYMJBF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2cnn(C3CC3)c2)cn(Cc2ccccc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRQCIMFAXNKANG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2cnc(Cl)nc2)cn(Cc2ccccc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDFOCUGLUGPTBP-UHFFFAOYSA-N", "SMILES:OCCN1CCN(c2cccc3c2ccn3Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLCVWCKLMRVBI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCO)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPVLMVSQCRBENY-UHFFFAOYSA-N", "SMILES:OCCN1CCN(c2cccc3c2ccn3Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHJLPNXDKITNPZ-UHFFFAOYSA-N", "SMILES:OCCN1CCN(c2cccc3c2ccn3Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOIGPNAPNDXHFQ-UHFFFAOYSA-N", "SMILES:OCCN1CCN(c2cccc3c2ccn3Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQGTOFDYUCHHL-UHFFFAOYSA-N", "SMILES:OCCN1CCN(c2cccc3c2ccn3Cc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDTYMFKBYMEKAL-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ncc2c(N3CCN(CCO)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVPVAWCIBSFID-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCN(CCO)CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGDSGDJRXSZXDL-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)c1c[nH]c2c(C3CCN(CCO)CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFYEZBBLMKYLB-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCC(=O)OCCN1CCN(c2cccc3c2ccn3Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEFKFKCAMVAURB-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCC(=O)OCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJYCUMRWYGELX-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCC(=O)OCCN1CCN(c2cccc3c2ccn3Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOFTWJDOHJJPLH-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCC(=O)OCCN1CCN(c2cccc3c2ccn3Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUGBZDGGLXZXKU-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCC(=O)OCCN1CCN(c2cccc3c2ccn3Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NABSMZRUKCIEDU-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCC(=O)OCCN1CCN(c2cccc3c2ccn3Cc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZOIPMUQGIEMPN-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCC(=O)OCCN1CCN(c2cccc3c2cnn3S(=O)(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZXJTOUFFSPASH-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCC(=O)OCCN1CCN(c2cccc3c(S(=O)(=O)c4ccccc4)c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFRDGUDWGSSQHM-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCC(=O)OCCN1CCC(c2cccc3c(S(=O)(=O)c4ccccc4)c[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTZRXNJPNQHWRS-QURGRASLSA-N", "SMILES:Nc1n[nH]c(N=c2c(=O)c3ccccc3c2=O)c1/N=N/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUOHLVOGPLZCN-OCEACIFDSA-N", "SMILES:Nc1n[nH]c(/N=C2/C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc32)c1/N=N/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBUVNWSABVZQG-FOCLMDBBSA-N", "SMILES:CC1=Nc2c(/N=N/c3ccc(O)cc3)c(N)nn2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZUEMXVPUZAMZ-ISLYRVAYSA-N", "SMILES:CCOC(=O)C1=Nc2c(/N=N/c3ccc(O)cc3)c(N)nn2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXVCVJLMXGEHA-ISLYRVAYSA-N", "SMILES:CCOC(=O)CC(=O)Nc1[nH]nc(N)c1/N=N/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJNHGOIUBWKJB-QZQOTICOSA-N", "SMILES:CC(=O)Nc1nn2c(NC(C)=O)cc(=O)[nH]c2c1/N=N/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCDCKBIYZYXJGY-WUKNDPDISA-N", "SMILES:Cc1cc(=O)n2nc(N)c(/N=N/c3ccc(O)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKQVDTTXAYWWTK-ISLYRVAYSA-N", "SMILES:Cc1cc(C)n2nc(N)c(/N=N/c3ccc(O)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGHWUXBXYDBENP-ISLYRVAYSA-N", "SMILES:COC(=O)c1cc(=O)n2nc(N)c(/N=N/c3ccc(O)cc3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMTUQBELVRLOS-OCEACIFDSA-N", "SMILES:N#Cc1c(-c2ccccc2Cl)nc2c(/N=N/c3ccc(O)cc3)c(N)nn2c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQIRCFRRNXOAKW-OCEACIFDSA-N", "SMILES:COc1ccc(-c2nc3c(/N=N/c4ccc(O)cc4)c(N)nn3c(N)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWQSGFSIQFATB-WCWDXBQESA-N", "SMILES:Nc1nn2c(-c3cccs3)cc(-c3cccs3)nc2c1/N=N/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGZGEFGZXHTST-UHFFFAOYSA-N", "SMILES:Cc1cnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POCPWPGNUOMVIP-GICZQSFYSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)N(CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMNBPQHVOIDVLB-XVEIJSAGSA-N", "SMILES:CCCC[C@@H]1NC(=O)N(CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPNPWIVJNLHVEF-GICZQSFYSA-N", "SMILES:CCCCN1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLANBPQWZZBRE-XVEIJSAGSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)N(Cc2cc3ccccc3[nH]2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHYSEXNSSHVCK-ATAZIPLOSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)N(Cc2c[nH]nn2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCVHJPZBXQNEV-GLZVIBFHSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)N(CCO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPBHICIDBQPSP-YBYHVSLFSA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3682093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWLUEOYYPKPQL-PGRDOPGGSA-N", "SMILES:CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3677053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCZCXJFDMAWAIM-FXAWDEMLSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(F)(F)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUCNNEYLFOQFSW-PMERELPUSA-N", "SMILES:COc1c(C)cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@]3(C)C(N)=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXYIOARJXVTYJW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1cnc2ccccc21)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PROZUURRSGMLJX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1cnc2ccccc21)c1cccc(F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCIJWPBOCDNTJF-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)c1cc(Cn2ccnc2)c(O)c(Cn2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2386126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLZAVSZOAQKRC-UHFFFAOYSA-N", "SMILES:Cc1cc(Cc2ccccc2)n(O)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBALMDIKIGDHJW-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc3cc(C(=O)Nc4cc(NC(=O)c5ccc6c(c5)OCCO6)ccc4F)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSVOHZYFFZAREF-UHFFFAOYSA-N", "SMILES:COc1cc(CCNCCCCCC#Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWBZOKDNSLMRD-UHFFFAOYSA-N", "SMILES:COc1cc(CCNCCCCCC#Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPZSESBLZAXJD-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(CCCCCC#Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMDACHGDOVSAD-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(CCCC#Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFPGFHGJZYNJW-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(CC#Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFRQTDXIZTPDM-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(CC3CN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YROLXKJYDUJWRK-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCXOQQJJHOBPD-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC2CN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHKRWEYGVPYTAH-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(-c2cnn(C3CCN(CC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVMOMGLJOQXCM-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1N1CCN(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWDIFKBPRXUGEZ-PUFOHHGRSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)c2nn[nH]n2)[C@H](O)[C@@H](CO)O[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGYBXABXAGZKK-MHLSMWNZSA-N", "SMILES:CCCCn1nnc([C@@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPRKAIHPSTVASW-LBMKZFAXSA-N", "SMILES:CCCCCCCCn1nnc([C@@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWWIFUUMBBWJAX-HXWSAIOCSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)c2nnn(C3CCCCCC3)n2)[C@H](O)[C@@H](CO)O[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDKAZLNZJHNRK-VFOBHHFNSA-N", "SMILES:CCCCCCCCCCCCn1nnc([C@@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLOAOIYWEXLNJZ-UHSFJIKLSA-N", "SMILES:CCCCCCCCCCCCCCCCCCn1nnc([C@@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFFXRBRPRYFROV-YSZGVLASSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4549821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOXDQRATSEGCP-HOCLYGCPSA-N", "SMILES:C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEUIAMWBWZZNX-INIZCTEOSA-N", "SMILES:Cc1nc(CCCc2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEUIAMWBWZZNX-MRXNPFEDSA-N", "SMILES:Cc1nc(CCCc2ccccc2)oc1N1CCC[C@@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGTQKOVZJMZAJY-KRWDZBQOSA-N", "SMILES:Cc1nc(CCCc2ccccc2)oc1N1CCCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJXSYEABOZAWBN-UHFFFAOYSA-N", "SMILES:Cc1nc(CCCc2ccccc2)oc1N(CC#N)C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODTVJIQUDHPQEX-UHFFFAOYSA-N", "SMILES:Cc1nc(CCCc2ccccc2)oc1N(C)CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQRVXMUNBCFCV-KRWDZBQOSA-N", "SMILES:CC(C)c1nc(CCCc2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYOGEALBRBAGDK-SFHVURJKSA-N", "SMILES:CC(C)Cc1nc(CCCc2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COMNWYZVBHHGOU-KRWDZBQOSA-N", "SMILES:CC(C)(C)c1nc(CCCc2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBNRBZXZTHZKHS-FQEVSTJZSA-N", "SMILES:N#C[C@@H]1CCCN1c1oc(CCCc2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWCFMBWIATHTB-KRWDZBQOSA-N", "SMILES:CSCCc1nc(CCCc2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNSCEXXXHPDATD-AWEZNQCLSA-N", "SMILES:N#C[C@@H]1CCCN1c1oc(CCCc2ccccc2)nc1C(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGQLFOODPCMNQ-ZDUSSCGKSA-N", "SMILES:Cc1nc(-c2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXUDMFNUOSIZMZ-AWEZNQCLSA-N", "SMILES:Cc1nc(Cc2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPGETHFYLHVKX-HNNXBMFYSA-N", "SMILES:Cc1nc(CCc2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBUGXAYCXFGRML-KRWDZBQOSA-N", "SMILES:Cc1nc(CCCCc2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKUICSXUOQBSN-AWEZNQCLSA-N", "SMILES:Cc1nc(CCOc2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVGGYDEGBHSLO-INIZCTEOSA-N", "SMILES:COc1ccc(CCCc2nc(C)c(N3CCC[C@H]3C#N)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXIBJLFCLWWWFO-INIZCTEOSA-N", "SMILES:COc1ccc(CCCc2nc(C)c(N3CCC[C@H]3C#N)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXKDEWFWPYXBT-HNNXBMFYSA-N", "SMILES:COc1cc(CCc2nc(C)c(N3CCC[C@H]3C#N)o2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUNTVFYDBRPXQJ-ZDUSSCGKSA-N", "SMILES:Cc1nc(CCCc2cccs2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMBHWPQAYBLPU-HNNXBMFYSA-N", "SMILES:Cc1nc(CCc2c[nH]c3ccccc23)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLPCCPZPMSABAL-HNNXBMFYSA-N", "SMILES:Cc1nc(CCc2cn(C(=O)C(F)(F)F)c3ccccc23)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGVHKSQWHHQUNH-HNNXBMFYSA-N", "SMILES:Cc1nc(CCC(=O)N2CCCCCC2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CARBHZJJQJKMCW-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)CCc2ccccc2)oc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZXMKFKIMGTHKF-UHFFFAOYSA-N", "SMILES:N#Cc1nc(CCCc2ccccc2)oc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFAXXGIXSUDCW-UHFFFAOYSA-N", "SMILES:N#Cc1nc(CCCc2ccccc2)oc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZZOWLWIOQNOW-HNNXBMFYSA-N", "SMILES:N#Cc1nc(CCCc2ccccc2)oc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPBRSJIMJEUFE-UHFFFAOYSA-N", "SMILES:c1ccc(CCCc2ncc(-c3ccccc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUGCOKHOSPFNSY-UHFFFAOYSA-N", "SMILES:c1ccc(CCCc2ncc(-c3cccs3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDZXXTBQLQLVSC-UHFFFAOYSA-N", "SMILES:Cc1oc(CCCc2ccccc2)nc1C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTOOXHNTETVLPN-INIZCTEOSA-N", "SMILES:Cc1oc(CCCc2ccccc2)nc1C(=O)N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL260167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILZBBGKOTULGC-QYVSTXNMSA-N", "SMILES:CC(C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXJDJJHXDEVFF-SCFUHWHPSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NCCc4ccc(O)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228792", "category": ["biolink:ChemicalEntity"], "name": "KINETIN", "xref": ["InChIKey:QANMHLXAZMSUEX-UHFFFAOYSA-N", "SMILES:c1coc(CNc2ncnc3[nH]cnc23)c1"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein kinase PINK1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5465349"], "id": "UniProtKB:Q99MQ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTSQKQLTZCFPE-QJOMJCCJSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc32)c(C)c1C(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1822006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXOCDHNKTVLZLD-ITYLOYPMSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594400", "category": ["biolink:ChemicalEntity"], "name": "GUMARONTINIB", "xref": ["InChIKey:RYBLECYFLJXEJX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6cnn(C)c6)cn45)c3c2)cn1"], "synonym": ["Gumarontinib", "Gumarontinib", "Gumarontinib", "Glumetinib", "Gumarontinib", "Sc-c244", "Scc244"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDRTVZAZBIBBN-HXUWFJFHSA-N", "SMILES:C[C@H](c1cccc(-c2ncc(OCC3CCN(C)CC3)cn2)c1)n1cc(-c2cc(C#N)ccn2)cc(F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXYXHXOLWMFGJD-UHFFFAOYSA-N", "SMILES:CC(C)(O)CN1CCC(COc2cnc(-c3cccc(Cn4c(=O)ccn5c6cc(C#N)ccc6nc45)c3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQJGYYZYYMVBDF-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095061", "category": ["biolink:ChemicalEntity"], "name": "ELZOVANTINIB", "xref": ["InChIKey:UUDPUQDMSHQSKH-NSHDSACASA-N", "SMILES:CCN1Cc2c(ccc(F)c2C#N)O[C@@H](C)CNC(=O)c2c(N)nn3ccc1nc23"], "synonym": ["Elzovantinib", "Elzovantinib", "Elzovantinib", "Elzovantinib", "TPX-0022", "TPX0022", "Elzovantinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCKOOTOQVCFRHS-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc3c(=O)c2c1)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBZSOQDAOLMGC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHQHFLLRYUONA-UHFFFAOYSA-N", "SMILES:[O-][S+](c1c(Cl)ccc(F)c1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQNBQZBDXDIOSM-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cl)c(C2(c3n[nH]c4ncc(-c5cnn(C6CCNCC6)c5)cc34)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL525529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQZFCVFBLEELM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZGNPOPOCGTSMZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(=O)N2CCc3ccccc32)s1)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOREFCBYAJEKR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(=O)C(F)(F)C(F)(F)F)s1)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4250582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYOJIQXYKCJISC-UHFFFAOYSA-N", "SMILES:C[Si](O)(O)CCCCCCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGDVZNURLHGURN-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=S)SSCCCCCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBXVOKPFBCZWNJ-UHFFFAOYSA-L", "SMILES:O=C(CCCCCOP(=O)([O-])[O-])Nc1ccccc1.[K+].[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKXNPUGKOHEIEQ-UHFFFAOYSA-L", "SMILES:O=C(CCCCCNP(=O)([O-])[O-])Nc1ccccc1.[K+].[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXGMXHOQHBESEQ-UHFFFAOYSA-L", "SMILES:O=C(CCCCCOP([O-])([O-])=S)Nc1ccccc1.[K+].[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFUYMBDDXZHMY-UHFFFAOYSA-M", "SMILES:CP(=O)([O-])NCCCCCC(=O)Nc1ccccc1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHNLEJYHICATI-UHFFFAOYSA-M", "SMILES:CP(=O)([O-])OCCCCCC(=O)Nc1ccccc1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZMHOBLZSSBDPO-UHFFFAOYSA-M", "SMILES:CP(=O)([O-])CCCCCCC(=O)Nc1ccccc1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQFBCMVKWECOS-GFCCVEGCSA-N", "SMILES:O=C(CCCCC[C@@H]1CN(O)C1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGQFBCMVKWECOS-LBPRGKRZSA-N", "SMILES:O=C(CCCCC[C@H]1CN(O)C1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLJWKLIQWQEOG-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC1CNC1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1767029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGONHNYGVKPNSO-RGEXLXHISA-N", "SMILES:CNC(=O)/C(CCCCCCC(=O)Nc1ccccc1)=N\\O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFKBMXXDXYFDET-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCS)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDBZFCLYXBIXNR-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1C(=O)NCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNYHTRDBISTGJ-MBEDZMRZSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMGKUJZEBAMPK-ZXYZSCNASA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHJRWURSRZJHZ-FKWFRFQNSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUHFSOMJOLGPCY-MBEDZMRZSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQQVTYVWZUYCX-ZXYZSCNASA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCWOJVKBKZOFQ-FKWFRFQNSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNXMBFPJDRQLN-ZXYZSCNASA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVISPBLQYTSHU-ATIZSFMBSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLHZFSFAHMSBP-PUHABZHSSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIQWHJELWBNLI-MBEDZMRZSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKMIRPBCQUUNDQ-KQFVITFDSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFVISPBLQYTSHU-KJHMZRPRSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJRJYUZGBWRGKK-MBEDZMRZSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFWLCSRZYLNMRU-PUHABZHSSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CN)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZXDRURNUJWBEW-FKWFRFQNSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFXVHTVYMKIOIT-ZXYZSCNASA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKMIRPBCQUUNDQ-MBEDZMRZSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTYIBRLTBCAPEN-JVVMDBNWSA-N", "SMILES:CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXUPSPVDOQODL-IYOWLYRDSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N[C@@H](C2CCCC2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2370694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEICKFACMXRXAO-QTDVOZQNSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNDLCCTUQAYKSN-MBASHDBLSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cn(C)cn2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCMSIHHWMOTDFN-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c(C(=O)NCc2c(F)cc(-c3cccc(S(=O)(=O)F)c3)cc2F)nn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNAHYXBPBZSDMH-CABZIAIVSA-N", "SMILES:CC1=C[C@@]2(C)[C@@H](/C(C)=C/[C@]3(C)O[C@H](C)[C@@]4(C)O[C@H]43)[C@](C)([C@@H](O)[C@@H](C)C(=O)C(C)C)[C@H]2[C@]2(C)O[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5425717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOGIQGXBXOAFD-GXDHUFHOSA-N", "SMILES:CN1CCN(C(=S)N/N=C/c2ccccc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5193687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIGEYGVQXHQTC-GXTWGEPZSA-N", "SMILES:CO[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nc4ccccc4s3)CS[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGODIRAFGAKHV-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccn(S(N)(=O)=O)c2C(=O)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOMKKVEJFJZFE-QUBYGPBYSA-N", "SMILES:CCOC(=O)[C@]1(CS)N[C@@H](C(=O)O)C(C)(C)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSQETNTOFPAGF-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc2cccnc12)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUDWRQJEQRBMS-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc2c(-c3ccc(F)cc3)c(C(=O)O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGHDUMGJWXFDV-UHFFFAOYSA-N", "SMILES:COP(=O)(CCSC(C)=O)N(C)Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1973715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYWNXFAJVPYFP-CXUHLZMHSA-N", "SMILES:S=C(N/N=C/c1ccccn1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCQOMXBTAAQLRZ-IHLOFXLRSA-N", "SMILES:COC(=O)[C@H]1CN(C(=O)CN(Cc2ccccn2)Cc2ccccn2)C[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQAFGOYCDMJFF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2oc(-c3ccc4cc(OCc5ccccc5)ccc4c3O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRTGCWOZRVEIEP-YLJYHZDGSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cccc[n+]3[O-])CS[C@H]12"]}
{"name": "Metallo-beta-lactamase VIM-2", "synonym": ["beta-lactamase"], "xref": ["CHEMBL.TARGET:CHEMBL1255123"], "id": "UniProtKB:D1MEN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWYFFHYBDASCLI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1CCn1c(-c2cccc(-c3ccccc3)c2)n[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOCXNJSWCSWJT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cn2c(-c3ccc(O)cc3)cnc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRLBMFYCQTZRNE-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cnc3cnc(-c4ccccc4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKFLRBIQIXBCCO-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLQVXUJMEZCSGU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cn2c(-c3ccc(O)cc3)cnc2cn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZWOUQMPQCYIK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZROBKNPXIOQRBD-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXUCGEVPOQUSIH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4202639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUZROHFGIOGOBB-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccccc5O)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTKMBZXHYFBSOK-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXKOPGVYGQVAPR-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccccc5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSPQFHUVJMVLQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNMULIOTSQSJK-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C(=O)O)cc5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4214092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQPDKJQEKIKEFC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C(=O)NO)cc5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKUMLZFCIPKXAO-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(Cl)cc5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFHIDQUYVRCLAG-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C(F)(F)F)cc5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYKNRDHNFNBDF-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C(N)=O)cc5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXZQZRCDEXIVBU-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C#N)cc5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4213168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHQJHHHTXOGJK-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVMCTQCWVQBNL-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZRMUIKQINRSD-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cccnc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFPGRHVVUABTQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cccnc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWJRXNTRLZCAI-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUFGPGISRVJPDN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cncc(-c3ccc(C(N)=O)cc3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTUIUZURRUBTQT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccnc2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4563423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKEKZOYSJKRFIE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccnc2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYKLJEGFZNZKFV-UHFFFAOYSA-N", "SMILES:COc1cc(C(N)=O)ccc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYMKHVBDBZQPAQ-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2cccnc2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEKKRSPIVXYAJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(-c2cccnc2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHBWHIFHLEOFN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cccnc2)cc1OC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRMZWSJUDDSFBE-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cccnc2)cc1OC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4583708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDPNLACSMWNHPJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cccnc2)cc1OC1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHBOEBZDIDTSZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cccnc2)cc1OC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGUCUZCQZCIVDR-UHFFFAOYSA-N", "SMILES:CCNc1cc(-c2cccnc2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKIZDYJBKOZFQS-UHFFFAOYSA-N", "SMILES:NCCOc1cc(-c2cccnc2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXMBSEOFWALADX-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(-c2cncc(-c3cnn(C4COC4)c3)c2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXYNMHMVPRQKBT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(-c2cncc(-c3nn[nH]n3)c2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYFRPOVKHGTOX-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(-c2cncc(-c3cnn(C)c3)c2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEOCNIHNYNYIJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(-c2cncc(-c3cnn(C(C)C)c3)c2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOGDOKSJNXRDBX-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(-c2cncc(-c3cnn(C4CCOC4)c3)c2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4569209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPCOTPXNOKKFY-UHFFFAOYSA-N", "SMILES:Cc1[nH]ncc1-c1cncc(-c2ccc(C(N)=O)c(OC(C)C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPLVTTVTTDMYHT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(-c2cncc(-c3c[nH]nc3C3CC3)c2)ccc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXTNVGURVJDDNQ-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3804952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKTICNMOUVEYRR-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXNUQVZRIJPJBL-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)COc3ccc(-c4cccnc4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIILILXNZLEIIT-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(-c4cccnc4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVMLNNCKNCFOFH-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(-c4ccc(NC(C)=O)nc4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3805771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONUUBFCZUAOFY-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(-c4ccc(NC(=O)C5CC5)nc4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3806189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGMQSJXTBXHOTH-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)CNc3ccc(-c4ccc(NC(=O)C5CC5)nc4)cc3F)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFHPGDWVOWPQX-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)c2nc(-c3ccccc3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTIJDPHSSAJMQA-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cc(F)ccc4C(F)(F)F)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRUHYAWZHFTNEA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGIZNZSONLPSI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1801808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNCJXSKAKGXNKJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQVRALSKGWXQZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(C(=O)O)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMHOKHCKXBRIB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccccc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMMKWOVBOKXXQU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXOPUGLYEYDAMC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3896367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXASTGBSGPFLFJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLGZIGLHCRIMF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4539725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYUKEVKPDRXPAB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGCXYYDAVPSFD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL262601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSIIPKSANRIGS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPBXFWYUHYSIZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cnco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIIFZAPFLSKUTL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(C(=O)O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVJIZEVEBFRYRD-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHIVMBKGQXFLSJ-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1Cc1ccc(-c2ccc(C(=O)O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDNHXSHEUVCAS-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1Cc1ccc(-c2cccc(C(=O)OC)c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECWTKVFZVHQKS-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1Cc1ccc(-c2cccc(C(=O)O)c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXYNUUITSJMBDO-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1Cc1cccc(-c2ccc(C(=O)OC)cc2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFTIRDWHXYKSAO-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1Cc1cccc(-c2ccc(C(=O)O)cc2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHFNPRSDKZAQT-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1Cc1cccc(-c2cccc(C(=O)OC)c2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGWPRHPOVKRJW-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1Cc1cccc(-c2cccc(C(=O)O)c2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUBBCPCJHBRDY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQVAEFYIADOKI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccnc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQLGXBYAHYGABI-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4588996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAMJQKDGQYAQKD-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDDJLIRTJMWIQO-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUHZFWGWOISUCN-UHFFFAOYSA-N", "SMILES:O=C(NCc1c[nH]cn1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFONEZDGGUMYDH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc[nH]1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZBAXHDQOVEHQU-UHFFFAOYSA-N", "SMILES:O=C(NCc1nnc[nH]1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOFJKBIHQLQGSL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc[nH]1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJCMFDWAIFSEEI-UHFFFAOYSA-N", "SMILES:O=C(NCc1nnn[nH]1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPKXVPQWXNROX-UHFFFAOYSA-N", "SMILES:O=C(NCc1ncc[nH]1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNLDIYPCIBXDAP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc[nH]c1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETNZADKIYOCDC-UHFFFAOYSA-N", "SMILES:O=C(NCc1nccs1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSWGFGIRFVKDCY-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c(CNC(=O)c2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKPNYZKLYGGIEJ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ncc[nH]1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2263549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMHLNIJHJPIPKG-POHAHGRESA-N", "SMILES:COc1ccc(/C=C2\\SC(=O)N(CC(=O)O)C2=O)cc1"]}
{"name": "4-hydroxy-tetrahydrodipicolinate synthase 1, chloroplastic", "xref": ["CHEMBL.TARGET:CHEMBL5465361"], "id": "UniProtKB:Q9LZX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAZRJSGPFUTIA-GXAXEPTESA-N", "SMILES:COc1ccc(/C=C2\\SC(=O)N([C@H](C[C@@H](C(=O)O)N3C(=O)S/C(=C\\c4ccc(OC)cc4)C3=O)C(=O)O)C2=O)cc1"]}
{"name": "4-hydroxy-tetrahydrodipicolinate synthase 2, chloroplastic", "xref": ["CHEMBL.TARGET:CHEMBL5465356"], "id": "UniProtKB:Q9FVC8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3702"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKAQFSAJDFYOL-IZZDOVSWSA-N", "SMILES:CN(C)C/C=C/C(O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKMSJFNACXHSL-HNNXBMFYSA-N", "SMILES:CCc1cnn2c(NCc3nc4ccc(F)c(F)c4[nH]3)cc(N3CCCC[C@H]3CCO)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHZSRIDQQIZYPX-GOSISDBHSA-N", "SMILES:O=C(CN1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1)Nc1ccc([As](O)O)cc1"]}
{"name": "Cyclin-dependent kinase 12", "xref": ["CHEMBL.TARGET:CHEMBL5465307"], "id": "UniProtKB:Q14AX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHJIQFGWCILYIF-HXUWFJFHSA-N", "SMILES:O=C(CN1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1)Nc1ccc([As]2SCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEZDBROXKNBQFH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(-c4ccncc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVWQJFCDNGWNPP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(-c4cn[nH]c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRMVTHEWJWSDM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(Nc4ccc(S(C)(=O)=O)cc4)ncnc3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYFYIZSVOODUFO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(-c4cccnc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGARYOVZZQZJNN-UHFFFAOYSA-N", "SMILES:Cc1cnccc1-c1cc2c(Nc3ccc(S(C)(=O)=O)cc3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBXXCFLERZSPZ-UHFFFAOYSA-N", "SMILES:COc1cnccc1-c1cc2c(Nc3ccc(S(C)(=O)=O)cc3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLSFXAQJEUJURI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(-c4ccnc(Cl)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERZAMCFKOTSPJ-UHFFFAOYSA-N", "SMILES:Cc1ccncc1-c1cc2c(Nc3ccc(S(C)(=O)=O)cc3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKVZYAWPKVSJL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(-c4cccnc4Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMZAPPLNUHEMSH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(-c4cccnc4F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCBHFVEGGXOPB-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cc2c(Nc3ccc(S(C)(=O)=O)cc3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLBTQHYKWIILX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnc3sc(-c4cccnc4C)cc23)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHJZHUBMWCZLG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnc3sc(-c4cccnc4C)cc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVFTYZRMUNHEZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3sc(-c4cccnc4C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTOHCGSUXDOKQC-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncnc3sc(-c4cccnc4C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXRNIIJAMOYOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncnc3sc(-c4cccnc4C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTZYLMKTCYGHMT-UHFFFAOYSA-N", "SMILES:CCc1ccc(Nc2ncnc3sc(-c4cccnc4C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSIMRMAYTXRKSP-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cc2c(Nc3ccc(C4CC4)cc3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGSFCATMJSTEQ-UHFFFAOYSA-N", "SMILES:CSc1ccc(Nc2ncnc3sc(-c4cccnc4C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHJSWAMHATNGU-UHFFFAOYSA-N", "SMILES:CSc1ccc(Nc2ncnc3sc(-c4ccncc4C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFJITCTMIXZIJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3sc(-c4ccncc4C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OESKNMFNUCQOBJ-UHFFFAOYSA-N", "SMILES:CSc1ccc(Nc2ncnc3sc(-c4cccnc4Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXFACJCJWRYCFQ-UHFFFAOYSA-N", "SMILES:CSc1ccc(Nc2ncnc3sc(-c4cnoc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLKLRRKBUIMEF-UHFFFAOYSA-N", "SMILES:CSc1ccc(Nc2ncnc3sc(-c4c(C)noc4C)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MERCLFUKKWQNFD-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1csc2ncnc(Nc3ccc(S(C)(=O)=O)cc3)c12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYWYIJUYCGWKM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3cc(-c4cccnc4Cl)sc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSAVQHDZIYWIMU-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cc2ncnc(Nc3ccc(C4CC4)cc3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLJUHZYDURHAF-UHFFFAOYSA-N", "SMILES:CSc1ccc(Nc2ncnc3cc(-c4cccnc4Cl)sc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNSDUOUZSMLPI-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cc2ncnc(Nc3ccc(S(F)(F)(F)(F)F)cc3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBIQCVBCIYIGPK-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cc2ncnc(Nc3ccc4ncoc4c3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUWAVHBYBNJJMZ-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-c1cc2ncnc(Nc3ccc(N4CCCC4=O)cc3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVQHWPLHUNEREE-UHFFFAOYSA-N", "SMILES:Cc1cc2c(Nc3ccc(S(C)(=O)=O)cc3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCTYJSVIHIBIIZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3sc(-c4ccncc4F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGAYUKEZCOUAX-UHFFFAOYSA-N", "SMILES:Cc1csc2ncnc(Nc3ccc(S(C)(=O)=O)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNLSXLGCRFFQF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3scc(Cl)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZCBWKVYRVGTH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3scc(C4CC4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXMAGXFPGOQWOQ-UHFFFAOYSA-N", "SMILES:Cc1sc2ncnc(Nc3ccc(S(C)(=O)=O)cc3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGDMWCVSVMLJI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2ncnc3ccsc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL30108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWMRBSEGFTSQC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRRJJFZKZREIR-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(C(=O)O)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFILQLNQSKXEG-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(OCC(=O)Cn2nnc(CCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMXEAHARHLBGW-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(OCC(=O)Cn2nnc(CCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBJFVVTCDDVID-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(OCC(=O)Cn2nnc(CCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMPUSKXQZPYLMW-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc(OCC(=O)Cn2nnc(CCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICCQFYYEJKONIF-UHFFFAOYSA-N", "SMILES:CC(C)CCCOc1ccc(OCC(=O)Cn2nnc(CCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFYDNQVOHDXQKT-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nnn(CC(=O)COc2ccc(Oc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCJGNXVYDRZKAV-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc(OC(C)C(=O)Cn2nnc(CCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGBDYLDQJQGNAU-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc(OC(C)C(=O)Cn2nnc(CCCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYBCSHPJLJPLB-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc(OCC(=O)C(C)n2nnc(CCCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBUJLUWWQSKEPS-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(Oc2ccccc2)cc1)C(=O)Cn1nnc(CCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFEOUYDEBYHQJN-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1nnn(CC(=O)COc2ccc(Oc3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLKPMDILCAGQZ-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(Oc2ccccc2)cc1)C(=O)Cn1nnc(CCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZUYLJQOTRHHSM-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nnnn1CC(=O)COc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHLXWJDEOUPGR-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(Oc2ccccc2)cc1)C(=O)Cn1nnnc1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISJAPMRSPNZDW-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1nnnn1CC(=O)COc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQBXFSIBMKOPH-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(Oc2ccccc2)cc1)C(=O)Cn1nnnc1CCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRVLKLXJZROCAO-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTLUBJLWJGOZQA-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(Oc2ccccc2)cc1)C(=O)Cn1cc(CCC(=O)O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKVQXLRMVWQSDM-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nnn(CC(=O)C2CCc3cc(-c4ccccc4)ccc3O2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKWVJVFDWDJLK-LBPRGKRZSA-N", "SMILES:CC(=O)COC[C@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEWDVHVDNURMP-GORDUTHDSA-N", "SMILES:C/C=C/C(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQYKLLXHDOMVBG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cc(-c2ccc(O)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEZGGAJUJYRTLE-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cc(-c2cccc(O)c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVMJJGSNNOSRKP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC1)c1cc(-c2cccc(O)c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJNIRPVLDOTAO-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cc2cc(F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCQIRUFTPUCBCY-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1ccc2snnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVUJIXJCUDSMY-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1cc(-c2cccc(O)c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLEWKANOAINOMG-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cc(-c2cccc(O)c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOYSMUVWUHOKAM-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)c1cc(-c2cccc(O)c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQKIQKNFSLFVDF-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cn(-c2cccc(O)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZPISDVDMJGHJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cnn(-c2cccc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETGUASGMKVVMA-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cc(-c2cccc(O)c2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIONDVPAKZWGMO-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cc(-c2ccc(Cl)c(O)c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQEWZQIZAUEGOY-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cc(-c2cc(O)c3cccnc3c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVXWTSCLROIDAP-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2cc(C(=O)NC3CCCC3)no2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXWUILRSNIQHDM-QGZVFWFLSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)no2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGHADPVTQUFXCC-WQRHYEAKSA-N", "SMILES:CCOC(=O)CN1C(=O)/C(=C/c2ccc3c(c2)Sc2ccccc2N3C)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCADHSMAIRDXNJ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(=Cc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUOBAHGBPSRKY-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKEWYKIZSPDHOY-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(OCC(C)C)c(-n3cnnn3)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFONVZCGYSBWAA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQAFMUTRMZOOQ-UHFFFAOYSA-N", "SMILES:CCCCCCCNc1ccc(-c2cc(C(=O)O)ccn2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZCXTXCKOUAFPB-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc3c(c2)c(C#N)cn3C(C)CO)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLITXOWOAOJCH-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(C#N)c3[nH]c(-c4ccccc4)cc3c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCVVYVKLHVGCC-UHFFFAOYSA-N", "SMILES:COCCOCCn1cc(C#N)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROOVSIKPMSVLHW-UHFFFAOYSA-N", "SMILES:CCn1cc(C)c2cc(-c3nc(C)c(C(=O)O)s3)cc(C#N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLAYGGHMCXJPNH-UHFFFAOYSA-N", "SMILES:CCCn1cc(C)c2cc(-c3nc(C)c(C(=O)O)s3)cc(C#N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKMCFVVQXUWRFF-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(C#N)c3c(ccn3C)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOUCPTMJQXHBCP-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(NN)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNYKVQDWOZGTQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1ncc2c(Nc3ccc(N)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2420124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVQCLEOGNATTMM-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1ncc2c(Nc3ccc(NC(=O)CCl)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4103606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNVSTZBKEPBGBH-QKYXPGDISA-N", "SMILES:COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZDQJWPRRTCOO-UHFFFAOYSA-N", "SMILES:CSc1nc(O)c(C(=O)Nc2ccc(-c3cnn[nH]3)cc2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBGNSLBNIOMXSN-UHFFFAOYSA-N", "SMILES:CSc1nc(O)c(C(=O)Nc2ccc(-c3cnn[nH]3)cn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCVPZICRIKYCQ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(COc2ccc(-c3ncc(C(=O)O)cn3)cc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAUOADZYGXABIU-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(OC(C)C)c(C#N)c2)ncc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTGMZBALQIQAT-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc(-c3ncc(C(=O)O)c(C)n3)cc2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYIDPKZXMZRFF-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(C2Nc3ccccc3-c3cc(-c4ccccc4)nn32)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL169526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETHRPHBGJAIBT-UHFFFAOYSA-N", "SMILES:CC(C)(C)COc1ccc(-n2cc(C(=O)O)cn2)cc1C#N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5407183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIEGWYRRGJXQAX-UHFFFAOYSA-N", "SMILES:N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTTXOYFICPSQLS-UHFFFAOYSA-N", "SMILES:N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1CCC(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXFUVKIJAUFLLV-UHFFFAOYSA-N", "SMILES:N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWSFXJCITWVGMV-UHFFFAOYSA-N", "SMILES:N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIYQNKIZWYBSD-UHFFFAOYSA-N", "SMILES:N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSBWOAWSFWEHT-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(OCCC(C)C)c(C#N)c2)nc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFADGCQBDRSMSN-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(-c2ccc(OCC3CCCCC3)c(-n3cnnn3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBBKUDGSXITMSM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3923185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVOOIIBCXIPDV-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)cc(O)c2cc1-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL456610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKOSSZBVGWABG-XNTDXEJSSA-N", "SMILES:Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYOBJQWQRKBIBT-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C2C=C(c3ccncc3)N=N2)ccc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHVFMWFHUOJTAG-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccccc1)C(=O)O)c1ccc2c(c1)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJOSTCFHXOQPP-PHEQNACWSA-N", "SMILES:COc1cc(OC)c(C(=O)/C=C/c2ccccc2F)c(O)c1C(=O)/C=C/c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSMOFGFLBCKTKA-DAFODLJHSA-N", "SMILES:O=C(/C=C/c1cc(O)cc(O)c1)c1ccc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5403241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRIORGHZAAUFOQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(CSc2nnc(-c3cc(-c4ccccc4)nn3Cc3ccccc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDLNQCQPKRMGCY-UHFFFAOYSA-N", "SMILES:Nn1c(S)nnc1-c1cc(-c2ccccc2)nn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1244", "category": ["biolink:ChemicalEntity"], "name": "3,4-DIHYDROXY-5-NITROBENZALDEHYDE ", "xref": ["InChIKey:BBFJODMCHICIAA-UHFFFAOYSA-N", "SMILES:O=Cc1cc(O)c(O)c([N+](=O)[O-])c1"], "synonym": ["3,4-Dihydroxy-5-Nitrobenzaldehyde (Rat)"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRBXBCJYBHJDOF-SJXGUFTOSA-N", "SMILES:COC(=O)[C@H]1C[C@@H](n2cc(-c3ccccc3)nn2)[C@H](O)C[C@H]1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKOKBQSSHTOBM-UHFFFAOYSA-M", "SMILES:Cc1cc(C)c(C[n+]2cn(CCO)c3ccccc32)c(C)c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWGFAMGOGVONDX-XWSBYTBESA-N", "SMILES:COc1ccc([C@@H]2C/C(=N\\c3ccc([N+](=O)[O-])cc3Cl)C3C(O)=CC(O[C@H]4C[C@@H](OC5O[C@H](C)[C@@H](O)[C@H](O)C5O)[C@H](O)[C@@H](O)[C@@H]4O)=CC3O2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQKDUGNSCMZSJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3274332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWEYZOZHECWNRI-UHFFFAOYSA-N", "SMILES:Clc1cc2nc(-c3ccncc3)[nH]c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZBQZHKYYJJRCC-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Oc2c3c(c(CO)c(O)c21)OCN(c1ccc(F)cc1)C3"]}
{"name": "Xanthine dehydrogenase/oxidase", "xref": ["CHEMBL.TARGET:CHEMBL5465298"], "id": "UniProtKB:Q00519", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNHVDWORHUFADN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(C2=NC3=CN=CN(O)C3S2)ccc1Oc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRDXWKIIUUQMR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(-c3ccc(C(=O)O)c(O)c3)cc(C#N)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3652781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHZLIWHOFCJYKU-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CC2CC2)c2ccc(-n3cc(C(=O)O)cn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3652780", "category": ["biolink:ChemicalEntity"], "name": "TIGULIXOSTAT", "xref": ["InChIKey:JLQQRYOWGCIMMZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C#N)c2cc(-n3cc(C(=O)O)cn3)ccc21"], "synonym": ["Tigulixostat", "Lc350189", "Tigulixostat", "LC-350189", "LC350189"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFMZHWMNCKZBAI-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZMLWVPGAQICHX-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUNBSSTXGCSAP-UHFFFAOYSA-N", "SMILES:COC(=O)c1sc(-c2cc3cc([N+](=O)[O-])cc(C#N)c3[nH]2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCMAYJFAXOVTGN-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2cc(CNS(C)(=O)=O)cc([N+](=O)[O-])c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKMLGPTAUSLSJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2cc(C)cc(Br)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKDTMPYXIMRAI-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2cc(OCC(C)C)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMYPOQXBUHVQHC-UHFFFAOYSA-N", "SMILES:N#Cc1cc([N+](=O)[O-])cc(I)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZQFNSOFGQISH-UHFFFAOYSA-N", "SMILES:N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBFISXIQWQWIN-UHFFFAOYSA-N", "SMILES:COCOc1cccc(-c2c[nH]cc2C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSLFJUREKSUNF-UHFFFAOYSA-N", "SMILES:N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3667862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFZIPYWLVUUWDL-UHFFFAOYSA-N", "SMILES:CCCCc1cn(-c2ccc(C(=O)O)c(O)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWSKQZSUPNTPC-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(-c3ccccc3)c(C#N)c2)[se]c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFIRBTHRBCNMLO-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(-c2nc(C)c(C(=O)O)[se]2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWZPOXVTBYQLO-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(SC(C)C)c(C#N)c2)[se]c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3902528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZECHPRNNQXBHZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1c(O)[nH]c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVMISDHNZIDREG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1c(O)[nH]c(=S)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUCKWJYLHPGKA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(O)c(F)c1)c1c(O)[nH]c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAEVNKAIKDHEDN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(-c2cc(I)c3c(c2)CCC(C)(C)O3)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKCCJHKOXXYOBM-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(I)c3c(c2)CCC(C)(C)O3)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOPNPGCRRZEDIV-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(C#N)c3c(c2)CC(C)O3)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVQNLIXKRUVBZ-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(C#N)c3c(c2)CC2(CCCC2)O3)[se]c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQHXCXYSGOSCC-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(C#N)c3c(c2)CCC(C)(C)O3)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTFPFPRMFZJLBX-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(C#N)c3c(c2)CCC(C)(C)O3)[se]c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHCIOXCPHVMRJB-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cc(C#N)c3c(c2)CC2(CCCCC2)O3)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFYISHTUNBVRJ-UHFFFAOYSA-N", "SMILES:CCC1(C)Cc2cc(-c3nc(C)c(C(=O)O)s3)cc(C#N)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPORGOKKIBGPG-LSDHHAIUSA-N", "SMILES:COc1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5403463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEACOKJOQLAYTD-NOYMGPGASA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5396351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBDTVBLXMHPBNJ-UHFFFAOYSA-N", "SMILES:COC(=O)C(Sc1nnc(Br)n1-c1ccc(Br)c2ccccc12)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXPQTDITRAXMF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRBXREVJHNKJFO-UHFFFAOYSA-N", "SMILES:N#Cc1c(Cl)cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXIDCXAIWSZSG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1c(O)[nH]c(=S)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPHGWHMITGBXPO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cnn[nH]2)cc1)c1c(O)nc(O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPALHOKRBVHOJ-KBMKNGFXSA-N", "SMILES:[2H]C([2H])(Cc1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMKWEHLTLWLVDJ-RJSZUWSASA-N", "SMILES:[2H]C([2H])(Cc1cn(S(=O)(=O)c2ccc3c(c2)CCO3)c2ccc(OC)cc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVICSIJFQUEIL-KNXIQCGSSA-N", "SMILES:[2H]C([2H])(Cc1cn(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(OC)cc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCJESKTFDEJKQ-ZWGOZCLVSA-N", "SMILES:[2H]C([2H])(Cc1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C3CC3)cc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLBKEBVHANWAR-ZWGOZCLVSA-N", "SMILES:[2H]C([2H])(Cc1cn(S(=O)(=O)c2ccc(C3CC3)cc2)c2ccc(OC)cc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGWWJOSSIWOXLW-UHFFFAOYSA-N", "SMILES:COc1cccc(C2c3c(nc(C)[nH]c3=O)Oc3c2n(C(C)=O)c2ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDFARYLQURFLSC-UHFFFAOYSA-N", "SMILES:CC(=O)n1c2c(c3ccccc31)Oc1nc(C)[nH]c(=O)c1C2c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLPMQYDQMLWHP-UHFFFAOYSA-N", "SMILES:COc1ccc(C2c3c(nc(C)[nH]c3=O)Oc3c2n(C(C)=O)c2ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPQRHVHWZCJRID-UHFFFAOYSA-N", "SMILES:CC(=O)n1c2c(c3ccccc31)Oc1nc(C)[nH]c(=O)c1C2c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUHPLVYQWRAGP-UHFFFAOYSA-N", "SMILES:CC(=O)n1c2c(c3ccccc31)Oc1nc(C)[nH]c(=O)c1C2c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQZUTUIJWZXJAX-UHFFFAOYSA-N", "SMILES:CC(=O)n1c2c(c3ccccc31)Oc1nc(C)[nH]c(=O)c1C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQQHPZGMBSWSL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2c3c(nc(C)[nH]c3=O)Oc3c2n(C(C)=O)c2ccccc32)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDJMGZAZNFDEZ-GZMMTYOYSA-N", "SMILES:Cc1ncc(CN2CS[C@H](CCO)[C@@H]2C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401772", "category": ["biolink:ChemicalEntity"], "name": "3-DEAZATHIAMINE", "xref": ["InChIKey:HLBXMICRXICHJQ-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cc2csc(CCO)c2C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLDQLTQMRXKOMP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)OCCc2cn(Cc3cnc(C)nc3N)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXEDJJGDTHOISS-SCLBCKFNSA-N", "SMILES:COc1ccc(C(=O)OCC[C@H]2SCN(Cc3cnc(C)nc3N)[C@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGRDVVXOIGEYTE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)OCCc2scc(Cc3cnc(C)nc3N)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFFFCYDNFWYBZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCCc2cn(Cc3cnc(C)nc3N)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNYYFUMDLGBIBZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCCc2scc(Cc3cnc(C)nc3N)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCALBGKMHZNDBR-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(NCCc3cn(Cc4cnc(C)nc4N)nn3)COC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFELZKVXQDCAFH-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(NCCc3scc(Cc4cnc(C)nc4N)c3C)COC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAHZHBNZAJEJB-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCOC(=O)c3ccc(Cl)cc3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBCJNYXAFAZLY-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCNC(=O)c3ccc(Cl)cc3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPVQWLCNTKHNPW-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cc2coc(CCOC(=O)c3ccc(Cl)cc3)c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUOPNNGHDOLXJO-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cc2coc(CCNC(=O)c3ccc(Cl)cc3)c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLNMCDMGCTUUDW-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2cc(CCOC(=O)c3cccnc3)nn2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKEBLIROVCMSLE-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cc2coc(CCNC(=O)c3cccnc3)c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKARGDVMLSXZPW-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKFUPZCDNFUFF-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(c3ccccc3F)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJAIGJBNENTORH-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(c3cccc(F)c3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHKIYMFIFSMBH-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(c3ccc(F)cc3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DANBLBWVACCFGQ-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLSGJJVZPRNDK-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL605313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWOVGBHZFLBBHN-UHFFFAOYSA-N", "SMILES:N=C(N)Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKGHVSXASWDEEF-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1c(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJUDXSNINJURLI-UHFFFAOYSA-N", "SMILES:N=C(Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDERLFPVYCSSRA-JJCDCTGGSA-N", "SMILES:C[C@@H]1C[C@](O)(c2cccc(F)c2)CCN1C(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTKBTTUHIBRUCK-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CC(N)=O)c1ccc(C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRAIQPCZFQOIQA-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1c(C(=O)N2CCC(Oc3cccc(F)c3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBSLPZFPNMDPEG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CC(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAZRMZITUJGPCD-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C2(O)CCN(C(=O)c3nn(-c4ccccc4Cl)c(-c4ccc(Cl)cc4)c3CC(N)=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCXQOJAELJBIZ-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1c(C(=O)N2CCC(O)(c3cccc(F)c3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNJZKONXNQTBR-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1c(C(=O)N2CCC(O)(c3ccccc3F)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFLVUJLIFDRGX-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(C2(O)CCN(C(=O)c3nn(-c4ccccc4Cl)c(-c4ccc(Cl)cc4)c3CC(N)=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVAUJIYCGKGNB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2(O)CCN(C(=O)c3nn(-c4ccccc4Cl)c(-c4ccc(Cl)cc4)c3CC(N)=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXOKMLEZQWQJG-QBOIESIUSA-N", "SMILES:C[C@@H]1CC(O)(c2ccccc2F)C[C@H](C)N1C(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIEMFEVSMALXHH-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1c(C(=O)NC2CCN(C(=O)C3CC3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRBNLMNMSDURU-UHFFFAOYSA-N", "SMILES:CCN1C(=O)OC2(CCN(C(=O)c3nn(-c4ccccc4Cl)c(-c4ccc(Cl)cc4)c3CC(N)=O)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGULWJSFVCANV-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1c(C(=O)N2CCC(O)(c3ccc(F)cn3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUOJQPFHPNEGK-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CC(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHDMRHWPLJTQAU-QBOIESIUSA-N", "SMILES:C[C@@H]1CC(O)(c2cccc(F)c2)C[C@H](C)N1C(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVSIUHKJWLZJF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CC(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTSZZMESOQGPC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CC(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBGJTUDPVPOLG-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3cccc(Cl)c3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPPLNGGLWNCNH-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGTZPBJMUIHQR-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRRTWTKIRYUINI-CQSZACIVSA-N", "SMILES:C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUGIXHMQNHNRD-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)N1CCC(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLPHUIGBOWNERV-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)N1CCC(Oc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDJNLXPNOHNMR-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)N1CCC(Oc2cc(F)cc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEAXRQFYPGSWOV-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)N1CCC(Oc2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYSSPDNIDZWVNB-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)N1CCC(Oc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZWPBRADQXNNG-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)N1CCC(Oc2cccc(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXVKMCZTPGTKX-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNDBCQYEQSJMO-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)N1CCC(Oc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLEYGUSLYMIDAY-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)N1CCC(Oc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZXKKUJLZFJOCK-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHAQIDILYSLWMW-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVFWDBSAQJFSF-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3ccc(Cl)cc3F)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGMPBZNAWFZNQ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3cc(F)cc(F)c3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEMDSLKUEQWFDK-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPZLRUORCAXVHA-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3ccc(F)c(F)c3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQOAWVJFSIVRE-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3cccc(F)c3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVZORLKYYLSKPO-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3cccc(F)c3F)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBNIUJDAJOYXCM-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1c(C(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QACHYFKKINDCHP-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(OC2CCN(C(=O)c3nn(-c4ccccc4Cl)c(-c4ccc(Cl)cc4)c3CC(=O)O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCWJUJTGMYQQZ-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVVNIXHMQKNNTE-MLPAPPSSSA-N", "SMILES:O=C1/C(=C/c2ccccc2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2288403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZIWUSANDYRNLN-UUASQNMZSA-N", "SMILES:COc1ccc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1814445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZAYICRXYYFYDI-NSIKDUERSA-N", "SMILES:COc1cccc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGSSPCIXPCUIU-UUASQNMZSA-N", "SMILES:COc1ccc(OC)c(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGQJUCSRZHBJM-NSIKDUERSA-N", "SMILES:CSc1ccc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZMBEFXXKMTNOT-JMIUGGIZSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEDBLVCDGLBEBB-PQMHYQBVSA-N", "SMILES:O=C1/C(=C/c2cc(Br)ccc2O)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYNILJRVZNJWKT-WDZFZDKYSA-N", "SMILES:O=C1/C(=C/c2cccs2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGIFQNPGMXJCY-ZSOIEALJSA-N", "SMILES:O=C1/C(=C/c2ccccc2)Oc2cc(O)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1807487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUCCNWHJQXNUQE-PXNMLYILSA-N", "SMILES:COc1ccc(/C=C2\\Oc3cc(O)ccc3C2=O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL446827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPSPCMSCDNHZJM-CHHVJCJISA-N", "SMILES:COc1cc(/C=C2\\Oc3cc(O)ccc3C2=O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL490355", "category": ["biolink:ChemicalEntity"], "name": "SULFURETIN", "xref": ["InChIKey:RGNXWPVNPFAADO-NSIKDUERSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(O)c2)Oc2cc(O)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL426110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEZLDSPIRVZOKZ-AUWJEWJLSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)Oc2cc(O)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5410771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZMZFUOPSJXGG-ZDLGFXPLSA-N", "SMILES:COc1ccc(/C=C2\\Oc3cc(OCCO)ccc3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZXKRVATVDJCN-ZHZULCJRSA-N", "SMILES:O=C1/C(=C/c2ccccc2)Oc2cc(OCCCCCCO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCUODXUZMJABJ-HMAPJEAMSA-N", "SMILES:COc1ccc(/C=C2\\Oc3cc(OCCCCCCO)ccc3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVEWSNIXFKHTQL-MOHJPFBDSA-N", "SMILES:O=C1/C(=C/c2ccccc2)Oc2cc(OCCCCCCCCCCO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFHJQZDHKUVCKJ-ITYLOYPMSA-N", "SMILES:COc1ccc(/C=C2\\Oc3cc(OCCCCCCCCCCO)ccc3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRXXTMYVUNTBBF-UQQQWYQISA-N", "SMILES:COc1cc(/C=C2\\Oc3cc(OCCCCCCCCCCO)ccc3C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPXGIOSKMJWGJT-MKFPQRGTSA-N", "SMILES:O=C1/C(=C/c2ccccc2)Oc2cc(OCCCCCCCCCCO)cc(OCCCCCCCCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSNKHFAOWELSW-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1C(=O)CSC1c1cccc(C(=O)NCCCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMOEUMTLANRDL-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2ccc(OC)cc2)n(-c2cccc(C(=O)NCCCCn3nccn3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAVBNKSYSIREG-QEJZJMRPSA-N", "SMILES:C[C@H](O)[C@H](Nc1c(NC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(=O)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBHTZQPIUPPZTG-HOTGVXAUSA-N", "SMILES:CC(C)[C@H](Nc1c(NC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(=O)c1=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIYACIPFAVDFO-KBPBESRZSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H](CNc1c(N[C@@H](CC(N)=O)C(=O)O)c(=O)c1=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWOCSUHOMSYPF-PMACEKPBSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H](CNc1c(N[C@@H](Cc2ccccc2)C(=O)O)c(=O)c1=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPLBYIHMHBFKDC-DISONHOPSA-N", "SMILES:OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3ccsc3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWLJEAVHTXTLKT-COWMOVNHSA-N", "SMILES:OC[C@H]1O[C@H](Sc2cc(Cl)c(F)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3cccs3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTARISNSLWRIAA-DRRXZNNHSA-N", "SMILES:OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3cscn3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBCIQPVAYGFEN-UVLCOCDESA-N", "SMILES:OC[C@H]1O[C@H](Sc2cc(Cl)c(F)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3cscn3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJQNWNOQNZZJCB-YNIRGQLTSA-N", "SMILES:OC[C@H]1O[C@H](Sc2cc(Cl)c(F)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3nccs3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZJNVIVWLZPBGW-RDZAWVCESA-N", "SMILES:OC[C@H]1O[C@H](Sc2cc(Cl)c(F)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3cncs3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQQTIYILFGLHX-WZYWGQKZSA-N", "SMILES:OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3nncs3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFIRTILFTSHBRZ-WZYWGQKZSA-N", "SMILES:OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3ncsn3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWKZOURNJHUSF-RUCLQGLUSA-N", "SMILES:OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3ncco3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJZLMMXEBUJIX-RUCLQGLUSA-N", "SMILES:OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3ncc[nH]3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXKPZPRKNUOLS-DRRXZNNHSA-N", "SMILES:OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@@H](n2cc(-c3ccsc3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKAQKLJBYMZSV-VLLPDFJVSA-N", "SMILES:OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccsc4)nn3)[C@H]2O)[C@H](O)[C@@H](n2cc(-c3ccsc3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNKWGQPWPWRCZ-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1cccnc1)OCCCCC1CCN(C(=O)c2ccccc2N(CCCl)CCCl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHPQHDLAWWBABV-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1cccnc1)OCCCCC1CCN(C(=O)c2cccc(N(CCCl)CCCl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRYVFGEVIDJTN-IZZDOVSWSA-N", "SMILES:O=C(/C=C/c1cccnc1)OCCCCC1CCN(C(=O)c2ccc(N(CCCl)CCCl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEXCVAGOUWBJDD-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2N(CCCl)CCCl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLZHKJQZMMJOM-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2cccc(N(CCCl)CCCl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBFDSJFTUMEMD-IZZDOVSWSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(N(CCCl)CCCl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMMYEEZXHZQCLA-INIZCTEOSA-N", "SMILES:CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)N1CC(C(C)(C)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTBZFLSTHDGZLB-UHFFFAOYSA-N", "SMILES:CC(C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)N1CC(C(C)(C)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZFZXDVTLANIJS-AWEZNQCLSA-N", "SMILES:CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGYDLLIBDNXPTH-ZDUSSCGKSA-N", "SMILES:CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJHQKHRGRXRQHB-AWEZNQCLSA-N", "SMILES:CCC(=O)c1cnc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)cc1N[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJJLGAELKZJGL-AWEZNQCLSA-N", "SMILES:CCNC(=O)c1cnc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)cc1N[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEROWYXBIVLKPF-INIZCTEOSA-N", "SMILES:CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKQWEZFPNVLUDW-INIZCTEOSA-N", "SMILES:CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMOUXXKBECLANC-HNNXBMFYSA-N", "SMILES:CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NCCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXDOLPJSGCLVEB-AWEZNQCLSA-N", "SMILES:CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NCCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWMQDRPRVMUNDD-AWEZNQCLSA-N", "SMILES:CCNS(=O)(=O)c1cnc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)cc1N[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZIJUVAXGYPSI-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2Br)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMBINOWGIHWPJI-UNSOMVRXSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5421230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTBUTVPZCWQOX-UHFFFAOYSA-N", "SMILES:CC(=O)CC(=O)C1CC(NC(C)=O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTFOYAWGOHJTNZ-UHFFFAOYSA-N", "SMILES:CC(=O)CC(=O)C1CC(N)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCSCKYBJBHZBLP-UHFFFAOYSA-N", "SMILES:CC(=O)CC(=O)C1CC(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OECJXXRPGSDXEA-UHFFFAOYSA-N", "SMILES:CCCCC1CCC(=O)C(C(=O)CC(C)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRCGNUYHTRBDKY-UHFFFAOYSA-N", "SMILES:CCCC1CCC(C2CCC(=O)C(C(=O)CC(C)=O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRFVUQGSEIVOFG-UHFFFAOYSA-N", "SMILES:CC(=O)CC(=O)C1CC(O)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPGYUDCKPFIMH-UHFFFAOYSA-N", "SMILES:CC(=O)CC(=O)C1CC(Cl)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDVFJSDGXRDOQF-LPYMAVHISA-N", "SMILES:COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWLGGBFBABAIKO-CIAFOILYSA-N", "SMILES:COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDFWFZSCJNAGOC-CIAFOILYSA-N", "SMILES:COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1586269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYEWDPJAFUDTGQ-UDWIEESQSA-N", "SMILES:O=C(O)c1ccc(COc2ccccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFGROYZLUQKKX-FSJBWODESA-N", "SMILES:COc1ccc(/C(C)=N/NC(=N)SC2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKXGHNWBPSNSHT-BUVRLJJBSA-N", "SMILES:CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLHAHELIXVJNJF-XGMUFGICSA-N", "SMILES:C[C@@]12C(=O)N(c3ccc(Cc4ccncc4)cc3)C(=O)[C@]1(C)[C@H]1CC[C@@H]2O1.Cl"]}
{"name": "Pachytene checkpoint protein 2 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5465278"], "id": "UniProtKB:Q15645", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGUDPKHBIPNCC-MTIDIVMFSA-N", "SMILES:C[C@@]12C(=O)N(c3ccc(Cc4ccncc4)cc3)C(=O)[C@]1(C)[C@H]1CC[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLHWNTHKFMDVJL-UHFFFAOYSA-N", "SMILES:O=C1C2C3C=C(Br)C(O3)C2C(=O)N1c1ccc(Cc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOXMLWHUIONWMI-UHFFFAOYSA-N", "SMILES:O=C1C2C3C=CC(C4CC34)C2C(=O)N1c1ccc(Cc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLAHKGXZISRHT-WAIYUALRSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCC/C=C\\C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLAHKGXZISRHT-ZYDDLYJDSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCC/C=C/C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKFMTJBXGSDML-QUBILLFKSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCC/C=C/CC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQFHDHOOYTYWTB-BPMJNORESA-N", "SMILES:CN1C(=O)CNC(=O)[C@@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)C/C=C/CCCC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYABZMRLXVRUMQ-NGBHQVPDSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCC/C=C/C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSHUAQTLUTMDJ-BFJBMLSWSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCC/C=C/CC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACSHUAQTLUTMDJ-YUJZSFJBSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCC/C=C\\CC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924132", "category": ["biolink:ChemicalEntity"], "name": "BOS-172722", "xref": ["InChIKey:SGWLRDAOCLITOM-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1"], "synonym": ["Bos-172722", "Bos172722"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469414", "category": ["biolink:ChemicalEntity"], "name": "LUVIXASERTIB", "xref": ["InChIKey:PMQUGSPFUBGJCZ-CHOKWEPUSA-N", "SMILES:Cc1cc(-c2cnn3c(NC[C@H]4C[C@@](C)(O)C4)cc(Oc4cccnc4)nc23)ccc1C(=O)NC1CC1"], "synonym": ["Luvixasertib", "Luvixasertib", "Luvixasertib", "Luvixasertib", "CFI-402257", "CFI402257"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJJSEANNATVFNW-UHFFFAOYSA-N", "SMILES:O=C1C2=CC=CC3NN=C(c4ccccc41)C23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEADJJXUBNVGAN-AREMUKBSSA-N", "SMILES:CC[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRMASLPWOMYHN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKNUXDLZJPPBO-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3cnc(Nc4ccc(-c5cncn5C)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4450240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNPMKUGMSFVIC-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCOCC2)ccc1Nc1nc(NC2CCOCC2)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCVATYGNKPJBLI-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCOCC2)ccc1Nc1nc(NC(C)(C)CO)c2c(C#N)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGJGJRXGBZPLW-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDYKTGNHXNTATG-UHFFFAOYSA-N", "SMILES:CC(C)CNc1nc(-c2cccc3ncccc23)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12"]}
{"name": "Macrophage-expressed gene 1 protein", "xref": ["CHEMBL.TARGET:CHEMBL5465262"], "id": "UniProtKB:A1L314", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOFVYOMOKYCEQ-UHFFFAOYSA-N", "SMILES:CC(C)CNc1nccn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVJBNYKNHXJGSA-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOAJUGFHDCBJJ-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC(F)(F)F)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQEORRSNCYZKFM-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(Nc3ncc4c(n3)-n3ccc(C(N)=O)c3CC4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFIURXIRTXRJC-UHFFFAOYSA-N", "SMILES:CCc1n[nH]c(CC)c1NC(=O)c1ccn2c1CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIZFLAYFPDJNO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-n1ccc(C(N)=O)c1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXOSVHWTKXCACO-UHFFFAOYSA-N", "SMILES:CCc1nn(CCOCCOC)c(CC)c1NC(=O)c1ccn2c1CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHUGOZPGHMQPAB-UHFFFAOYSA-N", "SMILES:CCc1nn(CCOCCOCCOC)c(CC)c1NC(=O)c1ccn2c1CCc1cnc(Nc3ccc(N4CCN(C(=O)COC)CC4)cc3OC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2089255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDEFNAWAKYQBQY-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1nc(Nc2ccc(C(N)=O)cc2)cc(N)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLCRYUBFFYODW-IMSYTBADSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTCKWRVXWBIVLC-XKIFMCPMSA-N", "SMILES:CN1CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZMLSYYMOAFQN-PULFFUANSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CC(N)O)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIQKRTPFZJUVIH-ITLDBNEPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDRINRKODQYBNO-BUFLWNDTSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAADDYNUEBXRSV-YOUOKGKTSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLUBMXFPIQXHKV-IMSYTBADSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPRLEKTYQXYJZ-KSIOIDCCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMCAEINEIJKSNF-ZNVNCQIZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHXQYXQWZSIREQ-KSIOIDCCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQKBCIHCDKRGM-BEIQVZPUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDXZQJHLBHBJLI-KMMORGBDSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJCNNGXGCEAMU-JVKIRPSHSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEANYUGJCATNJU-KMMORGBDSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKYSYXVRRPVQBV-IJEOJQEASA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCFZRPJSPWCTN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTZWNAUQMDOZGP-ZDDWATIOSA-N", "SMILES:COCCN(CC(=O)N[C@H](CCCCN)C(=O)N[C@H](CCSC)C(=O)NCCCCC(NC(=O)[C@@H](CCSC)NC(=O)[C@@H](CCCCN)NC(=O)CN(CCOC)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC(C)C)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(CC(C)C)C(=O)CNc1ccc(C(=O)c2ccccc2)cc1)C(N)=O)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC(C)C)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(CC(C)C)C(=O)CNc1ccc(C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVUQXFLGEGXIIB-IHQRWBBQSA-N", "SMILES:COCCN(CC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)NCC(=O)NCCCCC(NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CN(CCOC)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC(C)C)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(CC(C)C)C(=O)CNc1cccc(C(=O)c2ccccc2)c1)C(N)=O)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC(C)C)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(CC(C)C)C(=O)CNc1ccc(C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDXHJZKKBLAFLI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2(NCCCn3ccnc3)CCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCRGSJBZDUZWKK-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCn1ccnc1)c1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMYMXOXYOGBAB-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCN2c1ncnc2cc3c(cc12)NCN3CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1272061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAFRPXJMYXBTOY-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMLJOPEJOMHIT-ADXMYFAKSA-N", "SMILES:O=C(N/N=C/c1cnc(N2CCCC2)nc1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKFVCXLFZPWDA-UHFFFAOYSA-N", "SMILES:Cc1sc([Se]c2sc(C)c(-c3cccc(Br)c3)c2C(=O)NC(CO)C(=O)N2CCCC2)c(C(=O)NC(CO)C(=O)N2CCCC2)c1-c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSZCJUMGAKJHO-UHFFFAOYSA-N", "SMILES:Cc1sc([Se]c2sc(C)c(-c3cccc(Cl)c3)c2C(=O)NC(CO)C(=O)N2CCCC2)c(C(=O)NC(CO)C(=O)N2CCCC2)c1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHCHEXSMXOLRBL-UHFFFAOYSA-N", "SMILES:Cc1sc([Se]c2sc(C)c(-c3cccc(F)c3)c2C(=O)NC(C)C(=O)N2CCCC2)c(C(=O)NC(C)C(=O)N2CCCC2)c1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CACNAGBENJRSSL-JLMHELTMSA-N", "SMILES:CC1(C)c2[nH]c3ccc(C(F)(F)F)cc3c2C[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKZRMRLSIIVLE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)cc(C(C)(C)C)c3oc2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPSDIQLSSVWJQS-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(OCc3ccc(F)cc3)ccc2C=C1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYNBCGGFZPXED-FSGOGVSDSA-N", "SMILES:CC1=NN(c2ccccc2)C(=O)/C1=C\\c1cn(CCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIABTKWBOMYBGS-FCXRPNKRSA-N", "SMILES:COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc3cc[nH]c3c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTVTRFDXDZEFW-UHFFFAOYSA-N", "SMILES:C=C1Oc2c(ccc3cc(C)ncc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTBZMRGLBWNTM-NHNJRVLXSA-N", "SMILES:[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(C(C)C(=O)O)c([2H])c2F)c([2H])c1[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZAZIOFIVCEFLH-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(=O)c2[nH]cnc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WONHYGZKAZAWNC-KWCYVHTRSA-N", "SMILES:CCCn1cnc2c1N=CN1C2=N[C@](C)(C(=O)O)[C@@H](O)[C@@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WONHYGZKAZAWNC-FPMFFAJLSA-N", "SMILES:CCCn1cnc2c1N=CN1C2=N[C@](C)(C(=O)O)[C@H](O)[C@@]1(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL175225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQNXWHJIQWBMH-UHFFFAOYSA-N", "SMILES:Oc1cc2cccc[n+]2c2c(Cl)cccc12.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL367928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFVLESKBDQIWCZ-UHFFFAOYSA-N", "SMILES:Oc1cc2cccc[n+]2c2cccc(Cl)c12.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL174255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEANLBFSXXAJI-UHFFFAOYSA-N", "SMILES:CCCCc1c(O)c2c(Cl)cccc2[n+]2ccccc12.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAYCXMQTUEDRD-MHZLTWQESA-N", "SMILES:CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYRINQRAIIGEQV-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccncc2)oc2c1cc(-c1ccco1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYNLOXUHBIQTIO-YBEGLDIGSA-N", "SMILES:Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(O)cc3)S2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1449253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSAKKBGLYQHWAK-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCKBJMUSGLXLU-UHFFFAOYSA-N", "SMILES:COc1ccccc1CC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUZRRZGYIMRJQP-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1CC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHWYYHBSRYXAHR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(NC(=O)Cc3c(F)cccc3Cl)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XALZTPPSODKXFJ-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)N1N=C(c2ccccc2)CC1c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCMGAZXDNUMRB-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cccc([N+](=O)[O-])c2)nc(OCC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQKGCBWYWSVVFC-ZPRJNFSGSA-N", "SMILES:CC/N=C1\\S/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OORQWPATOIIANS-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1nnc(COc2ccc3ccccc3c2)s1"]}
{"name": "Dihydrofolate reductase", "xref": ["CHEMBL.TARGET:CHEMBL1075051"], "id": "UniProtKB:P00376", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFMFADJDGZCFW-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccccc2O)CC1)Nc1nnc(COc2ccc3ccccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANRAXZVOZDTJW-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)Nc1nnc(COc2ccc3ccccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYUBGHITPIVIT-UHFFFAOYSA-N", "SMILES:Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFGNVXXZVTJFF-UHFFFAOYSA-N", "SMILES:Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBBIEMNKFBINDE-UHFFFAOYSA-N", "SMILES:Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSQYPINOXAWCK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(-n3c(C)nc4c(cnn4-c4ccccc4)c3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQZVRFYALJGUCL-UHFFFAOYSA-N", "SMILES:O=S(=O)(NC(=S)Nc1ccccc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5401248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWQMOELQEXJTGQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NC(=S)Nc1ccccc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYCNIZDSXDSQV-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=S)Nc2nncs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYAXZWPOUHIREN-UHFFFAOYSA-N", "SMILES:CCc1nnc(NC(=S)NS(=O)(=O)c2ccc(C)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGLVZTMWFGPIGD-UHFFFAOYSA-N", "SMILES:CCCCCc1nnc(NC(=S)NS(=O)(=O)c2ccc(C)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDRYUSMCQVIMZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=S)Nc2nnc(CCC(C)C)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHRJHJUWDXGOIV-CHHVJCJISA-N", "SMILES:CCc1ccc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUGDZDMWFHIALW-APSNUPSMSA-N", "SMILES:O=C1/C(=C/c2ccc(-n3ccnc3)cc2)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWNAIOUAGFIWOQ-MFOYZWKCSA-N", "SMILES:CCCCOc1ccc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5196548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXYUECLIYKLRNX-IDUWFGFVSA-N", "SMILES:CCCCOc1ccc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYRWKGGIOSXIE-WCSRMQSCSA-N", "SMILES:CN(C)c1ccc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAZQICOOCXDPTH-WCSRMQSCSA-N", "SMILES:COc1ccc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPXUPYNKGGCKD-MLPAPPSSSA-N", "SMILES:COc1ccc(/C=C2\\Oc3c(ccc(O)c3O)C2=O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCVREOJRQYUFX-YBEGLDIGSA-N", "SMILES:O=C1/C(=C/c2ccc3ccccc3c2)Oc2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKQDXXHRSSNHV-SOFYXZRVSA-N", "SMILES:Cn1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQXOZXLUXFLSIQ-QFUZRPNGSA-N", "SMILES:CC[C@H](C)Cn1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HASHGPVYDUSVML-CFRMEGHHSA-N", "SMILES:O=C1/C(=C/c2cn(CCCc3ccccc3)c3ccccc23)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVYYZYZNCIRNR-RMORIDSASA-N", "SMILES:Cc1cccc(Cn2cc(/C=C3\\Oc4cc(O)cc(O)c4C3=O)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3263917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOOCIHMHVUKUBC-AFPJDJCSSA-N", "SMILES:O=C1/C(=C/c2cn(Cc3cccc(O)c3)c3ccccc23)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHBLLRIJPCSAZ-AFPJDJCSSA-N", "SMILES:O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)Oc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZUWUXKQPRWAL-BJJXKVORSA-N", "SMILES:NCCN[C@H]1CC[C@@H](CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZTZYHDXTIOQHM-ZLUOBGJFSA-N", "SMILES:N[C@@H](CN[C@@H](CN[C@@H](CC(O)O)C(=O)O)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5173546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQBVWDKYSIDCV-XCVCLJGOSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMZGXGAFRGQDL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2c3c(cc4c2CCC4)CCC3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNSZHDRIIINHS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1coc(Nc2c3c(cc4c2CCC4)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGLKLMMSRSMFQQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nnc(Nc2c3c(cc4c2CCC4)CCC3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVPFUVRYKVISSF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc(Nc2c3c(cc4c2CCC4)CCC3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDSKNZRLXDCIGA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cnc(Nc2c3c(cc4c2CCC4)CCC3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCXCPMIRUGOQPE-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)NC(=O)c1cnc(Nc2c3c(cc4c2CCC4)CCC3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNSOELAKWNRNX-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cnc(Nc3c4c(cc5c3CCC5)CCC4)o2)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYMHDPJPONYSQC-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)NC(=O)c1coc(Nc2c3c(cc4c2CCC4)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCFQPSFEFXDTN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTEZCNIXDVFCNP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Nc2nc(C(=O)NS(=O)(=O)N(C)C)co2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGIOWLDUKZBTQ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2c(c1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWPIWJJCPPHECO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJBQOGPXGDQSHL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)(C)C)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDIPLIIHCWAGM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CCC2)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URXHCVRBRCIDSV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGNHXZYJHAPTBY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)nc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCAEQYCWWHXIA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C(C)C)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKCBBEDKSFECOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCCCC2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQSVRWKBJHLAGQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCOCC2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBUEIBPZRUIGE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCCOCC2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGJLHUJPHIKPOH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCCN(S(=O)(=O)NC(=O)c2coc(Nc3cc(C(F)(F)F)ccc3C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXKDDVGRFAUAG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWAURFWYMMKMPG-UHFFFAOYSA-N", "SMILES:CC(C)n1nnnc1C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEVZETWORMUHX-UHFFFAOYSA-N", "SMILES:Cn1nnnc1C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVOPSAIVAHZWCD-UHFFFAOYSA-N", "SMILES:CCn1nnnc1C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPONAPSEFFDMOO-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nnnc1C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLUVUUCITYZKSJ-UHFFFAOYSA-N", "SMILES:CC(C)c1ncncc1C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGAXFXPUAFVHB-UHFFFAOYSA-N", "SMILES:CC(C)n1nnnc1C(c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPSDMPSKVLHUBR-UHFFFAOYSA-N", "SMILES:CC(C)n1nnnc1C(c1ccccc1F)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFQJLWUSLYRKET-UHFFFAOYSA-N", "SMILES:CC(C)n1nnnc1C(c1ccccc1)N1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSAPHOZMOZMDRV-UHFFFAOYSA-N", "SMILES:CC(C)n1nnnc1C(c1ccccc1F)C1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPFIILOXAPRPN-UHFFFAOYSA-N", "SMILES:CC(C)n1nnnc1C(c1ccccc1F)N1CCC(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIILFWPLNJTANR-UHFFFAOYSA-N", "SMILES:CC(C)n1nnnc1N(c1ccccc1F)C1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPPWKTIVYUTTEH-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWAURFWYMMKMPG-HXUWFJFHSA-N", "SMILES:CC(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWAURFWYMMKMPG-FQEVSTJZSA-N", "SMILES:CC(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KANYHDPGEAOGRE-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(C3c4ccccc4CCCCn4nnnc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHVDVVSAIFSYNO-UQCOIBPSSA-N", "SMILES:Clc1cccc(N2CCN(C3c4ccccc4/C=C\\CCCn4nnnc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXDGYGJIYEMQM-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(C3c4ccccc4CCCCCn4nnnc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJIMPZHIIVLGTD-ZTNNJZCJSA-N", "SMILES:CC(C)=CCC[C@@H](C)[C@H]1C2=C(C(=O)NC2)[C@H]2C[C@H]2[C@H](C)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYADJUWKSIHMA-VLFIBQBSSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](C)[C@@H]2C[C@@H]2C2=C(CNC2=O)[C@@H]1[C@H](C)CCC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCOZRMQOXRQSMF-VMCOHINHSA-N", "SMILES:CC(=O)O[C@@H]1C[C@@H](C)[C@@H]2C[C@@H]2C2=C(C(=O)NC2)[C@@H]1[C@H](C)CCC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIPLECCLSUWEC-OVSBLAMYSA-N", "SMILES:C=C(C)C(=O)CC[C@@H](C)[C@H]1C2=C(CNC2=O)[C@H]2C[C@H]2[C@H](C)C[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRYLICJPADRDA-KKKKPKHLSA-N", "SMILES:CCO[C@@H]1C/C=C(\\C)CC[C@@H]([C@H](C)CCC=C(C)C)C2=C1C(=O)N[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPYUIWHQODGMSY-ZTNNJZCJSA-N", "SMILES:CC(C)=CCC[C@@H](C)[C@H]1C2=C(C(=O)OC2)[C@H]2C[C@H]2[C@H](C)C[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5427635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOLYTDXHDXWJU-NRFANRHFSA-N", "SMILES:CCCCCc1cc(O)c2c(c1)O[C@@](C)(CCC=C(C)C)C=C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5409297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOLYTDXHDXWJU-OAQYLSRUSA-N", "SMILES:CCCCCc1cc(O)c2c(c1)O[C@](C)(CCC=C(C)C)C=C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5411934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNYCIHIYFUFHN-AWEZNQCLSA-N", "SMILES:COc1cccc(C(=O)N2CCc3c(nn(C)c3-c3cc(Cl)cc(CNS(C)(=O)=O)c3)[C@@H]2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJNYCIHIYFUFHN-CQSZACIVSA-N", "SMILES:COc1cccc(C(=O)N2CCc3c(nn(C)c3-c3cc(Cl)cc(CNS(C)(=O)=O)c3)[C@H]2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJVZDRSWJUSDD-AWEZNQCLSA-N", "SMILES:CNS(=O)(=O)Cc1cc(Cl)cc(-c2c3c(nn2C)[C@H](C)N(C(=O)c2cccc(OC)c2Cl)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRPTJDGFDXTOD-ZDUSSCGKSA-N", "SMILES:COc1cccc(C(=O)N2CCc3c(nn(C)c3-c3cc(Cl)cc(CS(N)(=O)=O)c3)[C@@H]2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBAPNTNQQUVUQS-HNNXBMFYSA-N", "SMILES:COc1cccc(C(=O)N2CCc3c(nn(C)c3-c3cc(Cl)cc(C4(NS(C)(=O)=O)CC4)c3)[C@@H]2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJIILNPXZXUBP-LBPRGKRZSA-N", "SMILES:C[C@H]1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1cc(F)cc(N2CS(=O)(=O)C2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYLJBZGLXBQBT-ZDUSSCGKSA-N", "SMILES:C[C@H]1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1cc(F)cc(-c2ccc(=O)[nH]c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPORDLUNDCEIO-ZDUSSCGKSA-N", "SMILES:C[C@H]1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1cc(F)cc(-c2cc[nH]c(=O)c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJYBVEAPROIDDA-UHFFFAOYSA-N", "SMILES:CC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1cc(F)cc(OCC2CNC(=O)C2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTHQWORPDIYSV-LBPRGKRZSA-N", "SMILES:C[C@H]1c2nn(C)c(-c3cncc(C(F)(F)F)n3)c2CCN1C(=O)c1cc(F)cc(-c2c[nH]c(C#N)c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFIMVBFKQUPFQ-HNNXBMFYSA-N", "SMILES:COCCOc1cc(Cl)cc(-c2c3c(nn2C)[C@H](C)N(C(=O)c2cccc(OC)c2Cl)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMREUHRUYDLBQ-WHUIICBVSA-N", "SMILES:C[C@H]1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1cc(F)cc(OCC2CNC(=O)O2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZBIILIUOKPSAN-QKDPSFTKSA-N", "SMILES:CCOc1ccc([C@H](COC)NC(=O)C2CC23CCc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZBIILIUOKPSAN-FUDKSRODSA-N", "SMILES:CCOc1ccc([C@H](COC)NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNNVSIFQRPFNCV-QKDPSFTKSA-N", "SMILES:CCOc1ccc([C@H](COC)NC(=O)C2CC23CCc2cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNUSULGCIPPLE-LVIWNVNYSA-N", "SMILES:CCOc1ccc([C@H](COC)NC(=O)C2CC23COc2ccc(F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEJYZHSOUJPGMG-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc(F)cc2)COC1)C1CC12CCc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUAAPOPEAIYKH-QKDPSFTKSA-N", "SMILES:CCOc1ccc([C@H](COC)NC(=O)C2CC23CCc2ccc(F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANMYIWNXPXAHN-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc(F)cc2)COC1)C1CC12CCc1ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORDBXQDTJCEXHD-WUJZJPHMSA-N", "SMILES:O=C(N[C@@H](CO)C1CCCCC1)C1CC12COc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMHUFQPAZUDLK-GBXVCHKXSA-N", "SMILES:CCOc1ccc([C@@H](NC(=O)C2CC23COc2ccc(F)cc23)C(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJYYCFJNAPVVLN-NGEICVOHSA-N", "SMILES:CCOc1ccc([C@H](CF)NC(=O)C2CC23COc2ccc(F)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTQGZHVMYNDGR-WUJZJPHMSA-N", "SMILES:O=C(N[C@@H](CO)C1CCCCC1)C1CC12COc1ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQIZDIKHMSQOGS-MHIUNMELSA-N", "SMILES:CCOc1ccc([C@H](COC)NC(=O)C2CC23CCCc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRVMZYPPGEUEN-INIZCTEOSA-N", "SMILES:Cc1c(CF)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJMZLWFACNZCG-HNNXBMFYSA-N", "SMILES:Cc1c(C(F)F)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNVXATUJJDPFDM-GUBGJCPWSA-N", "SMILES:[2H]C([2H])([2H])c1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKPIERLZGGUUMI-SCFUHWHPSA-N", "SMILES:OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTVHNHNSOLUBX-SCFUHWHPSA-N", "SMILES:OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c3c(NCc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRAVYZGLWKOSGY-SCFUHWHPSA-N", "SMILES:OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWADIGVWXFICMM-SCFUHWHPSA-N", "SMILES:OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c3c(NCc4ccccc4F)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZVYTHTQIRPKM-NVQRDWNXSA-N", "SMILES:OC[C@H]1O[C@@H](n2nc3c4c(ncnc42)N(Cc2ccccc2)C=C3)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETLJEMYQCTPSI-VONAAWGESA-N", "SMILES:C[C@@H](Nc1ncnc2c1c(C(F)(F)F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLENYULJLGUFQN-WVSUBDOOSA-N", "SMILES:C#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(NCc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIJGBCYZSGDYNX-SCFUHWHPSA-N", "SMILES:OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c3c(NCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETLJEMYQCTPSI-OJMQJXDZSA-N", "SMILES:C[C@H](Nc1ncnc2c1c(C(F)(F)F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4913232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQOCMRACUONAJY-UHFFFAOYSA-N", "SMILES:C1=CC2(CCNCC2)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALOKBPBZPPQHDZ-UHFFFAOYSA-N", "SMILES:Clc1cccc2c1C=CC1(CCNCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTYKFZJWDXGSP-UHFFFAOYSA-N", "SMILES:Clc1cccc2c1OC1(C=C2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHHVBPCYYCUVPT-UHFFFAOYSA-N", "SMILES:COc1ccc2c3c1-c1ccccc1CC3NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFAUSYYYCPFKR-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)C=CC1(CCNCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLHZPLWTXHOAZ-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)OC1(C=C2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMKDVVZSFVVZCO-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)C=CC1(CCNCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHAJKCMYVMZQMV-UHFFFAOYSA-N", "SMILES:Fc1cccc2c1OC1(C=C2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRRPRNLUEAXHRT-UHFFFAOYSA-N", "SMILES:Brc1ccc2c(c1)OC1(C=C2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXKRNFUJJFYKTP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC1(C=C2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKJQHURZFRNMLT-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1C=CC1(CCNCC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQAAJLYGRSHPX-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1OC1(C=C2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPZVLXMYGEDEU-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)OC1(C=C2)CNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILSJNABPSNZFN-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)OC1(C=C2)CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXVPFXZSVUGRPM-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)OC1(C=C2)CCCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNDWTZPGUHFNJ-UHFFFAOYSA-N", "SMILES:NC1CCC2(C=Cc3ccc(Cl)cc3O2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFORLCSWVOJYSF-UHFFFAOYSA-N", "SMILES:CC1CNCCC12C=Cc1ccc(Cl)cc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQAFRGVJVUFFT-IAPIXIRKSA-N", "SMILES:C[C@@H]1CC2(C=Cc3ccc(Cl)cc3O2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKQXLKJWBUHTG-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)OC1(C=C2)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469423", "category": ["biolink:ChemicalEntity"], "name": "(-)-ASIMILOBINE", "xref": ["InChIKey:NBDNEUOVIJYCGZ-CYBMUJFWSA-N", "SMILES:COc1c(O)cc2c3c1-c1ccccc1C[C@H]3NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5420759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOZFMODYLYTKG-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3ccccc3)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOZFMODYLYTKG-SNYZSRNZSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C(=O)c1cc[n+](Cc3ccccc3)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOZFMODYLYTKG-UFTMZEDQSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3N(C(=O)c1cc[n+](Cc3ccccc3)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYYJRNQJKNYETR-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3ccccc3F)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWHQJRHXUBAUSE-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3cccc(F)c3)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKLHEFMNMPKDX-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3ccc(F)cc3)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKLHEFMNMPKDX-SNYZSRNZSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C(=O)c1cc[n+](Cc3ccc(F)cc3)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKLHEFMNMPKDX-UFTMZEDQSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3N(C(=O)c1cc[n+](Cc3ccc(F)cc3)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZYCXKSRERWKGH-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3cccc(F)c3F)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWQMIURPAOCPNR-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3c(F)cccc3F)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRXZIOVKXQHSF-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3ccccc3Cl)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRXZIOVKXQHSF-SNYZSRNZSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C(=O)c1cc[n+](Cc3ccccc3Cl)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRXZIOVKXQHSF-UFTMZEDQSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3N(C(=O)c1cc[n+](Cc3ccccc3Cl)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYYIMDBLXSOZEO-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3cccc(Cl)c3)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WESSSYMJWIWRAO-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(cc4ccccc4c3c1OC)N(C(=O)c1cc[n+](Cc3ccccc3F)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKZCCKSINTNEJ-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(cc4ccccc4c3c1OC)N(C(=O)c1cc[n+](Cc3ccccc3Cl)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMYLBZYSHUGEDS-UHFFFAOYSA-M", "SMILES:COc1cc2c3c(cc4ccccc4c3c1OC)N(C(=O)c1cc[n+](Cc3ccccc3)cc1)CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPQUTISFKWFMK-DXJNIWACSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCCCCCNC(=O)COc4c(Br)cc(/C=C5\\C(=O)Nc6ccc(I)cc65)cc4Br)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVSMYVIYAJIIV-KQJZZRHUSA-N", "SMILES:CNc1cc(CN(CC2CCNCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)ccc1C(=O)NCCOCCOCCNC(=O)COc1c(Br)cc(/C=C2\\C(=O)Nc3ccc(I)cc32)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAERRRRJFVSDIN-DBQHZJLUSA-N", "SMILES:CNc1cc(CN(CC2CCNCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)ccc1C(=O)NCCCCCCCCNC(=O)COc1c(Br)cc(/C=C2\\C(=O)Nc3ccc(I)cc32)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFQVBZDHMAXCJ-KQJZZRHUSA-N", "SMILES:CNc1cc(CN(CC2CCNCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)ccc1C(=O)NCCCCCCNC(=O)COc1c(Br)cc(/C=C2\\C(=O)Nc3ccc(I)cc32)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDUJQUHFIIJUIF-RNDJEAMVSA-N", "SMILES:CNc1cc(CN(CC2CCNCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)ccc1C(=O)NCCCCNC(=O)COc1c(Br)cc(/C=C2\\C(=O)Nc3ccc(I)cc32)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQYINDIYUUTHFG-DXJNIWACSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCOCCOCCNC(=O)COc4c(Br)cc(/C=C5\\C(=O)Nc6ccc(I)cc65)cc4Br)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDZYBZKRISYLCX-HWIUFGAZSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCCCCCCCNC(=O)COc4c(Br)cc(/C=C5\\C(=O)Nc6ccc(I)cc65)cc4Br)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFQFPCSZHALAD-IDKUVDLHSA-N", "SMILES:CNc1cc(CN(CC2CCNCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)ccc1C(=O)NCCOCCOCC(=O)NCCCN(C(=O)c1ccc(C)cc1)[C@@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOCYXKLXDXBMHE-IDKUVDLHSA-N", "SMILES:CNc1cc(CN(CC2CCNCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)ccc1C(=O)NCCCCCC(=O)NCCCN(C(=O)c1ccc(C)cc1)[C@@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNWLPIURRLGKS-AFLCPGBUSA-N", "SMILES:CNc1cc(CN(CC2CCNCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)ccc1C(=O)NCCCC(=O)NCCCN(C(=O)c1ccc(C)cc1)[C@@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALBJVSNLPRKJDX-VCZQVZGSSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)COCCOCCNC(=O)CCCn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDSFBITCYHYRQ-VCZQVZGSSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)CCCCCNC(=O)CCCn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVNSGMNVHQCPAA-QSCHNALKSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)CCCNC(=O)CCCn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBRTYBUCNRKZPE-UHFFFAOYSA-N", "SMILES:CC1=NN(CCCC(=O)NCC(C)c2ccccc2)Cc2nn(-c3ccc(C)cc3)c(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRRRKAXHMGUHZ-JIKIWWBOSA-N", "SMILES:COc1cc(C(=O)N(CC[C@H]2CCCN2C)C/C(C)=C/c2ccccc2F)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRRRKAXHMGUHZ-SIWPHUPXSA-N", "SMILES:COc1cc(C(=O)N(CC[C@@H]2CCCN2C)C/C(C)=C/c2ccccc2F)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBKOIDZLHYYHK-VDYWISOFSA-N", "SMILES:COc1cc(C(=O)N(CC[C@H]2CCCN2C)C/C(C)=C/c2ccccc2F)cc(OCCNC(=O)CCCCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASFACMLWNARPPP-LOXUBLDWSA-N", "SMILES:COc1cc(C(=O)N(CC[C@H]2CCCN2C)C/C(C)=C/c2ccccc2F)cc(OCCOCCNC(=O)CCCCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOOLDJOWYWWTSW-IPSFVGBJSA-N", "SMILES:COc1cc(C(=O)N(CC[C@H]2CCCN2C)C/C(C)=C/c2ccccc2F)cc(OCCOCCOCCNC(=O)CCCCCNC(=O)CCC2=[N+]3C(C=C2)Cc2c(C)cc(C)n2[B-]3(F)F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSNNPRTOQLSAZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2cn(Cc3cccc(Br)n3)c3ccccc3c2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWNZCTGAAFTWJW-KNTRCKAVSA-N", "SMILES:COc1ccc(C(=O)N(CCC2CCCN2C)C/C(C)=C/c2ccccc2F)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCPVFWDKLPXPL-LVZFUZTISA-N", "SMILES:C/C(=C\\c1ccccc1)CN(CCC1CCCN1C)C(=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNMFDBONJFVDW-XDJHFCHBSA-N", "SMILES:COc1ccc(C(=O)N(CCC2CCCN2C)C/C(C)=C/c2cccc(F)c2)cc1OC"]}
{"name": "threonine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL5465377"], "id": "UniProtKB:Q8IIA4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPVAPSGKXAAHBG-CKTDUXNWSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5438745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATWLNPAQYPTPKC-GNCHJCHSSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NP(=O)(O)OC[C@@H]1C[C@H](O)[C@H](n2cnc3c(N)ncnc32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUPGDBTUKULRSA-ISPAPPPSSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)/C=C/c1cccc(-c2cc(N)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVXMTCACXPWHKV-KLCSSHHSSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEOUKXYWQDQHLF-APPZFPTMSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURTXVQDYIRBQY-RNCFNFMXSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)Oc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQBJNQGOSPKPNX-RNCFNFMXSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)Oc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDDBLWLEPIAWBO-KCJUWKMLSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)Oc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDZDXXMLKNCYSW-MUWHJKNJSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUOYUTTYTCAEPF-OQPBUACISA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)Oc1ccc(-c2cc(N)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJHNDUGHFDIXDU-CLAHSXSESA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)Oc1cccc2nn(-c3cc(N)ncn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUAFQODJAZYOPI-UHLUBPPHSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1nc2cc(-c3cc(N)ncn3)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FETZTCIBTDELSO-UHFFFAOYSA-N", "SMILES:Cc1nnc2ccc(-c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3Oc3ccc(F)cc3F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUPTVEMNGMCDLY-HNNXBMFYSA-N", "SMILES:Cc1csc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nncn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBAMXOVUGHFOJP-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3F)c(-c3ccc4nnc(C)n4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWHCMQVEVRBSSA-UHFFFAOYSA-N", "SMILES:Cc1nnc2ccc(-c3cc(NS(=O)(=O)c4ccccc4)ccc3Oc3ccc(F)cc3F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONCJQQUKTFRXNF-UHFFFAOYSA-N", "SMILES:Cc1nnc2ccc(-c3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3Oc3ccc(F)cc3F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWKOQTXVXSLCQ-UHFFFAOYSA-N", "SMILES:Cc1nnc2ccc(-c3cc(NS(=O)(=O)c4cccc(Br)c4)ccc3Oc3ccc(F)cc3F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQEFZDRYGKYQES-UHFFFAOYSA-N", "SMILES:Cc1nnc2ccc(-c3cc(NS(=O)(=O)c4cccs4)ccc3Oc3ccc(F)cc3F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTXTWFLBAFAACI-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2ccc3nnc(C)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPAUYRQUKGLFKN-UHFFFAOYSA-N", "SMILES:Cc1nnc2ccc(-c3cc(NS(=O)(=O)C4CC4)ccc3Oc3ccc(F)cc3F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXLBVWUVNYWNB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2F)c(-c2ccc3nnc(C)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURDXPJMSUIKKA-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2F)c(-c2ccc3nnc(C)n3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYBRMXFDESNQHL-UHFFFAOYSA-N", "SMILES:Cc1nnc2ccc(-c3cc(NS(=O)(=O)c4cccs4)ccc3Oc3ccc(Cl)cc3F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFQAOSURUZWOX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2Oc2ccc(Cl)cc2F)c2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCGPMALGLNABTO-OAQYLSRUSA-N", "SMILES:Cc1nnc(-c2ccc(-c3cccc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYLTWYACRCCBDC-OAQYLSRUSA-N", "SMILES:Cc1nnc(-c2ccc(-c3c(F)ccc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMLNNUPHKCZGE-OAQYLSRUSA-N", "SMILES:Cc1nnc(-c2ccc(-c3cc(F)cc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSHULYLMFGNSX-OAQYLSRUSA-N", "SMILES:Cc1nnc(-c2ccc(-c3ccc(F)c4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDSVIVRBPWSEZ-OAQYLSRUSA-N", "SMILES:Cc1nnc(-c2ccc(-c3c(F)c(F)cc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTHFXREMNVLPK-OAQYLSRUSA-N", "SMILES:Cc1nnc(-c2ccc(-c3c(F)cc(F)c4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDTWPYNLQYQJL-OAQYLSRUSA-N", "SMILES:Cc1nnc(-c2ccc(-c3cc(F)c(F)c4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEMQMZNHLSZPR-FQEVSTJZSA-N", "SMILES:Cc1nnc(-c2ccc(-c3cccc4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKIBPHZMQISMHY-FQEVSTJZSA-N", "SMILES:Cc1nnc(-c2ccc(-c3c(F)ccc4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDFRHZSBVCGRQ-FQEVSTJZSA-N", "SMILES:Cc1nnc(-c2ccc(-c3cc(F)cc4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZFZWFVNLHRBR-FQEVSTJZSA-N", "SMILES:Cc1nnc(-c2ccc(-c3ccc(F)c4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKQTFCHZGYFAG-FQEVSTJZSA-N", "SMILES:Cc1nnc(-c2ccc(-c3c(F)c(F)cc4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIJYXSTJPLSCY-FQEVSTJZSA-N", "SMILES:Cc1nnc(-c2ccc(-c3c(F)cc(F)c4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXSVAJFTXRDZOR-FQEVSTJZSA-N", "SMILES:Cc1nnc(-c2ccc(-c3cc(F)c(F)c4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHOCLCXVFQUEK-OAQYLSRUSA-N", "SMILES:CN1Cc2cc(-c3cccc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZUBNAOUWAFNTM-FQEVSTJZSA-N", "SMILES:CN1Cc2cc(-c3cccc4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQLDMZGPHCEMU-FQEVSTJZSA-N", "SMILES:CN1Cc2cc(-c3c(F)ccc4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVUGIJUDANWNRU-FQEVSTJZSA-N", "SMILES:CN1Cc2cc(-c3cc(F)cc4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYOGGNFTJAWEHD-FQEVSTJZSA-N", "SMILES:CN1Cc2cc(-c3c(F)c(F)cc4c3C(=O)N([C@@H](C(C)(C)O)C(F)(F)F)C4)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMYWLCJYMQDOO-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1C(=O)Nc1cccc2c1C(=O)N(CC1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWMBFNKWPPNPCH-MPOHANQWSA-N", "SMILES:COc1cc(C(=O)NCCOCCOCCOCCOCCC(=O)Nc2ccc(C(=O)Nc3ccccc3N)cc2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F"]}
{"name": "Paired amphipathic helix protein Sin3a", "xref": ["CHEMBL.TARGET:CHEMBL5465264"], "id": "UniProtKB:Q96ST3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEKMRWBWJJGTO-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1C(C)CN(S(=O)(=O)c2ccccc2)CC1C(=O)NCc1ccc(-c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEKMRWBWJJGTO-HYBUGGRVSA-N", "SMILES:CC(C)C(=O)N1[C@H](C)CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)NCc1ccc(-c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGVITNLHMXPEIQ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N1C(C)CN(S(=O)(=O)c2ccccc2)CC1C(=O)NCc1ccc(-c2ccco2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPKBFZUYCOSZGP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccco2)ccc1CNC(=O)C1CN(S(=O)(=O)c2ccccc2)CC(C)N1C(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHOBSJTSLUZJK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccco2)c(F)cc1CNC(=O)C1CN(S(=O)(=O)c2ccccc2)CC(C)N1C(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYNIJNDSLEBIN-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2ccco2)ccc1CNC(=O)C1CN(S(=O)(=O)c2ccccc2)CC(C)N1C(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWNYNVKCGCJJCM-APRRGZKTSA-N", "SMILES:COc1cc(OC)c2c(c1)O[C@@]1(c3ccc(OCCCCCN4CCN(C)CC4)cc3)[C@H](c3ccccc3)C[C@@H](O)[C@@]21O.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRIFNWCPFJDDLW-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cc4ccc(N5CCOCC5)cc4oc3=O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDZOCTYZUOIAQ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3nc4ccc(OC)cc4s3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSXHVGKWARQCCK-UHFFFAOYSA-N", "SMILES:CCCCCCc1c(C)c2ccc(OS(N)(=O)=O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4459312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKPBTQFQEANZCI-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccccc2)c(=O)oc2cc(OS(N)(=O)=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVAAXWMDWEOJR-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRKRPRKBSGENS-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1453086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISMBHJPYMAQLNS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1922082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFXRSKBJWQHON-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSXIBBYWVGWQJL-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(CN2CCN(C(=O)C3CC3)CC2)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNYQOMQAEHKIGN-STZFKDTASA-N", "SMILES:Cc1cc(Cl)cc2c1N(C)C(=O)/C2=N\\NC(=S)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKKMPIIBPZOFCZ-QQTULTPQSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=S)N/N=C2\\C(=O)N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSNJAOABDTNBL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHHHFDPVCAXIJX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVKLCITAUMFGJ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(NCc1cccs1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNNKKATACUQMN-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C12NNC(Nc1ccc(O)cc1)=C2[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBIJNJYRUWTSOK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC2=C([N+](=O)[O-])C3(NN2)C(=O)Nc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZPRGAIPAIFGA-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C12NNC(Nc1cccc(Cl)c1)=C2[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWAVOPJJRDSISW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC1=C([N+](=O)[O-])C2(NN1)C(=O)Nc1ccc([N+](=O)[O-])cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUBOYJFUVOZCG-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC2=C([N+](=O)[O-])C3(NN2)C(=O)Nc2ccc([N+](=O)[O-])cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQOCDHPBWLMJC-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc([N+](=O)[O-])cc2C12NNC(Nc1ccc(Cl)cc1)=C2[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXGUKCOZUAIPL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC1=C([N+](=O)[O-])C2(NN1)C(=O)Nc1c(C(F)(F)F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RABDHLJBIQEEND-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC1=C([N+](=O)[O-])C2(NN1)C(=O)Nc1ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNDADGSRBLEPZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC1=C([N+](=O)[O-])C2(NN1)C(=O)Nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSOIXUKWVRGQPI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC2=C([N+](=O)[O-])C3(NN2)C(=O)Nc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBOPKMWVVAIGJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C1(NNC(Nc3ccc(C)c(C)c3)=C1[N+](=O)[O-])C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYVARKFKXYBJJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC1=C([N+](=O)[O-])C2(NN1)C(=O)Nc1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLVRUBIGNNGAS-UHFFFAOYSA-O", "SMILES:CC[P+](Bc1ccc(O)cc1)(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUMKHSRPIMSTGC-UHFFFAOYSA-O", "SMILES:CC[P+](Bc1cccc(O)c1)(CC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTHGQKQYABWMV-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQFYMUKXVRYXPU-UHFFFAOYSA-N", "SMILES:C[Si](C)(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPSJBGJVJSJAU-UHFFFAOYSA-O", "SMILES:CC(C)[P+](Bc1ccc(O)cc1)(C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUAZAYVTKODECV-UHFFFAOYSA-O", "SMILES:Oc1ccc(B[P+](C2CC2)(C2CC2)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRQMRUMQEKXBDC-UHFFFAOYSA-O", "SMILES:CC(C)[P+](Bc1cccc(O)c1)(c1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGRMNJKHFXHNON-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCTWLIIUIMPQT-BETUJISGSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cnc4ccc(N5C[C@@H](C)O[C@@H](C)C5)nn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUZUFLISFIYCJ-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc3ncc(-c4ccc5[nH]nc(C)c5c4)n3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWTMOPOBCXTNRQ-BETUJISGSA-N", "SMILES:C[C@@H]1CN(c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWFLGAFQWIVLZ-BETUJISGSA-N", "SMILES:C[C@@H]1CN(c2ccc3ncc(-c4ccc5[nH]ncc5c4)n3n2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBORYEMBLSYEBZ-BETUJISGSA-N", "SMILES:C[C@@H]1CN(c2ccc3ncc(-c4ccc5cn[nH]c5c4)n3n2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGMFYWPNTWURH-OKILXGFUSA-N", "SMILES:C[C@@H]1CN(c2ccc3ncc(-c4ccc5cnn(C)c5c4)n3n2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYCYDCCIWOZVML-OKILXGFUSA-N", "SMILES:CCc1n[nH]c2ccc(-c3cnc4ccc(N5C[C@@H](C)O[C@@H](C)C5)nn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVSYYBSPCCYMTR-OKILXGFUSA-N", "SMILES:C[C@@H]1CN(c2ccc3ncc(-c4ccc5[nH]nc(C6CC6)c5c4)n3n2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNQYZBOKCGMIJQ-ZIAGYGMSSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cnc4ccc(N5C[C@H]6C[C@@H]5CO6)nn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNQYZBOKCGMIJQ-KBPBESRZSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cnc4ccc(N5C[C@@H]6C[C@H]5CO6)nn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTURCSDXMCABMJ-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cnc4ccc(N5CCOC(C)(C)C5)nn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHNTYSIPXOSJTG-GFCCVEGCSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cnc4ccc(N5CCO[C@H](C)C5)nn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHNTYSIPXOSJTG-LBPRGKRZSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cnc4ccc(N5CCO[C@@H](C)C5)nn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PROCNRVWUMNFIS-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cnc4ccc(N5CC6CCC(C5)O6)nn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCTWLIIUIMPQT-CHWSQXEVSA-N", "SMILES:Cc1n[nH]c2ccc(-c3cnc4ccc(N5C[C@@H](C)O[C@H](C)C5)nn34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOZVVPXKJGOFIG-UHFFFAOYSA-N", "SMILES:CCCn1/c(=N/C(=O)c2cccc(C(N)=O)c2)[nH]c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCKWPUFNPAWKRB-VXLYETTFSA-N", "SMILES:Sc1nnc(-c2c[nH]c3ccccc23)n1/N=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVLZNLFIVGBMBP-AWQFTUOYSA-N", "SMILES:Sc1nnc(-c2c[nH]c3ccccc23)n1/N=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDICXJAMDIRRX-DJKKODMXSA-N", "SMILES:Oc1ccc(/C=N/n2c(S)nnc2-c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRHVLHXZXDTIQ-KEBDBYFISA-N", "SMILES:Cc1ccc(/C=N/n2c(S)nnc2-c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCQGVQNZFLPPRL-AWQFTUOYSA-N", "SMILES:Sc1nnc(-c2c[nH]c3ccccc23)n1/N=C/c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVBCPCSHYDMLQ-UFFVCSGVSA-N", "SMILES:COc1ccc(/C=N/n2c(S)nnc2-c2c[nH]c3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEHXZQOKUICRN-UFWORHAWSA-N", "SMILES:Oc1cccc(/C=N/n2c(S)nnc2-c2c[nH]c3ccccc23)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJBUVOBMNBVHBB-UFWORHAWSA-N", "SMILES:Oc1ccc(/C=N/n2c(S)nnc2-c2c[nH]c3ccccc23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYMCNDJXCVWHNC-ODCIPOBUSA-N", "SMILES:Sc1nnc(-c2c[nH]c3ccccc23)n1/N=C/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMQHCOFGKWUFEP-AWQFTUOYSA-N", "SMILES:Sc1nnc(-c2c[nH]c3ccccc23)n1/N=C/c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAEJFWCQZAIGKP-AWQFTUOYSA-N", "SMILES:Sc1nnc(-c2c[nH]c3ccccc23)n1/N=C/c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCSSXRJZMVWANS-KEBDBYFISA-N", "SMILES:COc1ccc(/C=N/n2c(S)nnc2-c2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNUMRWMKXMAWTC-LSHDLFTRSA-N", "SMILES:COc1cc(/C=N/n2c(S)nnc2-c2c[nH]c3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFSZPSGSJLSCLK-KEBDBYFISA-N", "SMILES:COc1cccc(/C=N/n2c(S)nnc2-c2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZCHVBMWLZCCN-FARCUNLSSA-N", "SMILES:CSc1ccc(C(=O)/C=C/c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFZNHECDJPCFPK-RUDMXATFSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFXCELUXTCPLJR-BJMVGYQFSA-N", "SMILES:CCOC(=O)CSc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQPBIEQOSSPPDJ-KPKJPENVSA-N", "SMILES:CCN(CC)C(=S)Sc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNMNIAKPHRQIR-RUDMXATFSA-N", "SMILES:COC(=O)C1(C(=O)Nc2ccc(C(=O)/C=C/c3cc(C)c(O)c(C)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAHOKSFIXOGGP-BJMVGYQFSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(NC(=O)CCN(C)C)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCEMMCWFZCFXPX-KPKJPENVSA-N", "SMILES:CCN(CC)C(=S)SCCC(=O)Nc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHPNFVUCFIDGA-BJMVGYQFSA-N", "SMILES:CCOC(=O)c1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOBAIQUPGPMGBP-RUDMXATFSA-N", "SMILES:COC(=O)CNC(=O)c1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRNWQCSMWIKTLZ-WXQAMHPUSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOLDSIUQZHNPR-NWMLYGLHSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFDUSKPBBCMWKS-RUDMXATFSA-N", "SMILES:CNC(=O)CNC(=O)c1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCDWKQMSVRWNJS-BJMVGYQFSA-N", "SMILES:CCNC(=O)CNC(=O)c1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCGPTPTTYPDPQ-BJMVGYQFSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(C(=O)NCC(=O)N(C)C)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUKPHXRBHPSAR-KPKJPENVSA-N", "SMILES:CCN(CC)C(=O)CNC(=O)c1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFRZBGRKZYNKQ-ZZXKWVIFSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc3c(c2)COC32CNC2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBBCRBWRGDRKKG-CVXGYJCSSA-N", "SMILES:Cc1cc(/C=C/C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)B(O)O)cc2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNIGSODNDYPFKE-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cccc(Nc3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZMIEJZAZBHAU-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2cccc(-c3cccc(O)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKLAXBTXZAICTL-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2cccc(-c3ccc(O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFIXBCXSRSWSCB-UHFFFAOYSA-N", "SMILES:Oc1ccc(Nc2cccc(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGYOLTAIXJOTJB-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2ccnc(-c3cccc(O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEKOXKHJCOIQO-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccnc(Nc3cccc(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGVCKIGZFVATMB-UHFFFAOYSA-N", "SMILES:Oc1cccc(Nc2cc(-c3cccc(O)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLPDQBZTMNTPQW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(Nc3cccc(OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYPCVIGEIWUYMT-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cccc(-c3cccc(OC)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBDKSJTFUGZFW-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cccc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQITFZVDRHWQM-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ccnc(-c3cccc(OC)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQPQCGTPQGISA-UHFFFAOYSA-K", "SMILES:O=P([O-])([O-])C(CCCc1ccc(-c2ccc(Br)cc2)cc1)S(=O)(=O)[O-].[K+].[K+].[K+]"]}
{"name": "4,4'-diapophytoene synthase", "xref": ["CHEMBL.TARGET:CHEMBL5440"], "id": "UniProtKB:A9JQL9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1280"]}
{"id": "CHEMBL.COMPOUND:CHEMBL351151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRADVLDMPYYQDB-UHFFFAOYSA-K", "SMILES:O=P([O-])([O-])C(CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-].[K+].[K+].[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL513790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBNUOQAEVSXSSE-UHFFFAOYSA-K", "SMILES:O=P([O-])([O-])C(CCCc1ccc(-c2ccccc2)cc1)S(=O)(=O)[O-].[K+].[K+].[K+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL87292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQVFFWAGEQWWMP-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHCBQYVIGOWSE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)c(OCc2cn(CCCN3C(=O)C(=O)c4ccccc43)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNETXFJXWDZBRE-RJKLHVOGSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVQAMZJDWXIIBF-XRHOXCPTSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKYQRILAIZUWAI-IVLDPLOPSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLDNUFBTCRIUAF-IVLDPLOPSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAIBVHNJKCQGIZ-BWEQQSCZSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCn2cc(nn2)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAWIXJLKMHGTCU-LSBMCUSTSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAVRUVDPCZSCMP-CHMFDZHESA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTKACAQYDQTIC-FTFOYFTHSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1COCC#CC#CCOC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMRIMSSEQZMFML-MBQLAUTMSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCc2ccc(cc2)CSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL142009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFVZFLCAOUMJT-OAQYLSRUSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccncc1)C(C)(C)C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDMCECXKAELMI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTWYDKRRYUJERD-UHFFFAOYSA-N", "SMILES:COc1c(C#N)ccnc1N1C2CCC1CN(C(=O)c1cccnc1-n1cccn1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSVUAGZCIQFIE-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPVKICIGNRWKJE-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(Cc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTIOVGIXVZPRW-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3925325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTBFUILJTDEINN-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3931705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZAROJABRMTEJU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccc(F)cn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCXWSAXVDJMAMF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cc(C)cc(C)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJXFNRWHWUDQF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3nc4ccccc4o3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLDAHHMNAPBQI-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cnc4ccccc4n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3942226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOGHNYMKZQHLQH-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ncc4ccccc4n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXSNNYUKIYWXTE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)nc(OCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3970371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPVGXTRSJBXLPM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)nc(NCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3985381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQDLQPHNRNYXAM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)nc(CCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIRTXGFNBQGYTQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)nc(NCCn2cnc(NC(=O)c3ncoc3-c3cccc(C)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDNOQERODFOXJI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)nc(NCCN(CC2CC2)C(=O)c2nc(C3CC3)oc2-c2cccc(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3961144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMPRCWKFVUNFH-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCn3ccc4ccccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQPMCRUTTUENO-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCn3cnc4ccccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXWUDUISEZKIOY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(ccn2CCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSGDIIDNYHCWCV-UHFFFAOYSA-N", "SMILES:COc1ccc2ccn(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQJNIDZSJODNPQ-UHFFFAOYSA-N", "SMILES:COc1ccc2ncn(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKIFIDCORREBF-UHFFFAOYSA-N", "SMILES:COc1cc2ccn(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3940238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUYPBGXCFXPNBF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2ccn(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHGCVUZEVMKMK-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCn3ccc4cccnc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZTIKGZYDUCSNV-UHFFFAOYSA-N", "SMILES:COc1ccc2ccn(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRKTUDQYITKPM-UHFFFAOYSA-N", "SMILES:COc1cc2c(ccn2CCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNKCDRHFKJBBW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEYYOEMKMWVPAQ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGAHUEWCKNIRNB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CCn1cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn1)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUGHOGLSOEBHT-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDZDWGWQMMATH-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4ccccc4)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSSTVCNCBAXDPR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCn3cc(NC(=O)c4nc(C)oc4-c4cccc(C)c4)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIYIXGESBIOLR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4cccc(F)c4)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHMCGUALJBZONR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4ccccc4F)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXWYBBNWMWQEJ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ccccc4-n4nccn4)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451159", "category": ["biolink:ChemicalEntity"], "name": "NUAPAPUIN A METHYL ESTER", "xref": ["InChIKey:MRBQQESZUMBYBU-WRWLIDTKSA-N", "SMILES:COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)CCCC2(C)C)OO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL465146", "category": ["biolink:ChemicalEntity"], "name": "NUAPAPUIN B", "xref": ["InChIKey:MYBJZJMUOIRKIX-CYXPSIDGSA-N", "SMILES:C=C1CCCC(C)(C)C1CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL496650", "category": ["biolink:ChemicalEntity"], "name": "DIACARPEROXIDE A", "xref": ["InChIKey:QUCBMVALSQJJDY-WIBUTAKZSA-N", "SMILES:COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)C(=O)CCC2(C)C)OO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL524897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRBQQESZUMBYBU-OXFYSEKESA-N", "SMILES:COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC2=C(C)CCCC2(C)C)OO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463703", "category": ["biolink:ChemicalEntity"], "name": "EPIMUQUBILIN A", "xref": ["InChIKey:ZJKZMXQQSDVDLA-NCFLSLSRSA-N", "SMILES:CC1=C(CC/C(C)=C/CC[C@@]2(C)CC[C@@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5401727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALGIPQKCNNGBC-SQWFFKJPSA-N", "SMILES:CC1=C(CC/C(C)=C/CC[C@@]2(C)CC[C@@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJKZMXQQSDVDLA-RMXXGELBSA-N", "SMILES:CC1=C(CC/C(C)=C/CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5432653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGRANTXTMXDAIF-VYKXQCJSSA-N", "SMILES:COC(=O)[C@@H](C)[C@@H]1CC[C@@](C)(CC/C=C(\\C)CCC2=C(C)CCCC2(C)C)OO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5412389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNNYRWDFNZPBJ-CTTBUFIDSA-N", "SMILES:C=C1CCC[C@H]2[C@](C)(CC[C@@]3(C)CC[C@H]([C@@H](C)C(=O)O)OO3)[C@@H](C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5428600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMSFDWECPXXRJ-PKQUCIBFSA-N", "SMILES:C=C1CCC[C@H]2[C@](C)(CC[C@@]3(C)CC[C@H]([C@@H](C)C(=O)OC)OO3)[C@@H](C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5410163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANUTESGUDRDSZ-PDTQSJRVSA-N", "SMILES:C[C@@H]1CC[C@@]2(C)OC(=O)[C@H]3Oc4ccc(O)cc4C[C@]1(C)[C@@H]32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGEZCEYJBTWWPV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cc(F)cc(F)c1)N1CCOC2(CCN(C3CCOCC3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFYWJJNFPPJPOM-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(CCN(C3CCOCC3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROQSSTCFMRYHQZ-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC2(CN(CC3CC4(COC4)C3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRAHSQNVDULEX-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CC2(CN(C(C)C3CCCO3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFPTYONPVKCRV-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(S(=O)(=O)N2CC3(CN(C4CCOCC4)C3)C2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGKQIBTYQANDZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(C(F)(F)F)nc1C1CC1)N1CC2(CN(C3CCOCC3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1182632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULXFGRQRGZGNO-GOTSBHOMSA-N", "SMILES:COc1cc2c(cc1OC)[C@H](CCC[C@H]1c3cc(OC)c(OC)cc3CCN1C)N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1182643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULXFGRQRGZGNO-DHIUTWEWSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H](CCC[C@@H]1c3cc(OC)c(OC)cc3CCN1C)N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1185254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULXFGRQRGZGNO-ZRZAMGCNSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H](CCC[C@H]1c3cc(OC)c(OC)cc3CCN1C)N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQMSTMCQUFBTSL-RDBSUJKOSA-N", "SMILES:O=C(NC[C@H](O)CO)[C@@H]1C[C@H](c2ccccc2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEGSGOXSHXKMS-LBPRGKRZSA-N", "SMILES:O=C(CCCc1ccccc1)NC[C@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBVLDZZGIXDCN-ZDUSSCGKSA-N", "SMILES:O=C(NC[C@H](O)CO)c1cc(-c2ccccc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQZUEKYIIHLCQ-SFHVURJKSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)nc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMXRTAFTGQCQY-SFHVURJKSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3cnc(CNC4CCOCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXQIYABERPGIKO-SFHVURJKSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(CNC4CCOCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPEZUHMSPRSWDE-IBGZPJMESA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNNZAGLPYASYJS-FQEVSTJZSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXSLZGZZNFWBMA-IBGZPJMESA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLHZHTYXCWCITK-NRFANRHFSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)c4cccnc34)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMUONUOYVBPZQE-QFIPXVFZSA-N", "SMILES:CCC[C@@H](CCNC(C)=O)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZADBZRAGCJAN-HXUWFJFHSA-N", "SMILES:COc1cc(CNC2CCOCC2)ccc1Cn1ncc2nc(N)nc(N[C@H](CCO)C3CC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQUQQKSWSJZFY-HXUWFJFHSA-N", "SMILES:COc1cc(CNC2CCOCC2)ccc1Cn1ncc2nc(N)nc(N[C@H](CCO)C(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKABMLZTCFSHN-HNNXBMFYSA-N", "SMILES:COc1cc(CNC2CCOCC2)ccc1Cn1ncc2nc(N)nc(N[C@@H](C)CCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKGUCTURBSLOD-SFHVURJKSA-N", "SMILES:CC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTVUOZOPYPPBJ-FQEVSTJZSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEQCTNZHNLEUIO-IBGZPJMESA-N", "SMILES:CCC[C@@H](CO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHUWJNCRQMQYHO-MRXNPFEDSA-N", "SMILES:CCC[C@@H](C)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOBUAPSSPWCQR-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(CNCc4ccncc4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLSXLSGWWXWSL-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(Cn4ccnc4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPRGDWJZBWCKMV-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(CN4CC5(CNC5)C4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNIRWOVAHNAIB-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(CN4CC5CC4CN5)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBDDJYPNWRSMSZ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(CN4CCNCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXJUWRWBUQOPJ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(CN4CCOCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKYIQNXYVQKOW-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(CN4CCCCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWOQTHZWLOKQCD-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(C(=O)NC4CCOCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSHDOOBITWQIET-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGYDSPSOEKWGHU-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(CNC4COC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHLMNHFXQQXBQC-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(CNC4CCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKMQCQNNINVDGF-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALKXTOZXFOXFP-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccccc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGZVFNRQMNNJQ-LPEBVDEISA-N", "SMILES:COC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVSHTNTPRENCA-HNPIODEQSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/C(=O)N1CCN(CC2CCN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRLABAFXJPIMU-UHFFFAOYSA-N", "SMILES:CCC(CC)CC1(C(=O)Nc2ccccc2S)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWTPMGHCVYQAAO-QKCPBTDOSA-N", "SMILES:COC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCC(=O)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGCJJXFRGWDAL-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCC2(C(C)C)CCOC(C)(C)C2)C(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYFXRNQVXAKMGW-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCC2(C(C)C)CCOC(C)(C)C2)C(=O)c2ccc(Br)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKMUWFOHYZDRNA-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCC2(C(C)C)CCOC(C)(C)C2)C(=O)c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHKQMKUOHODOY-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCC2(C(C)C)CCOC(C)(C)C2)C(=O)c2ccc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEZMXHVZRILIB-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCC2(C(C)C)CCOC(C)(C)C2)C(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINVDNUBHMREEV-UHFFFAOYSA-N", "SMILES:CC(C)C1(CCN(Cc2ccc3[nH]ccc3c2)C(=O)c2ccco2)CCOC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUAJYFDMEHVNTH-UHFFFAOYSA-N", "SMILES:CC(C)C1(CCN(Cc2ccc(N(C)C)cc2)C(=O)c2ccco2)CCOC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POSUYJQYEVNQND-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCC2(C(C)C)CCOC(C)(C)C2)C(=O)c2cnc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBAABNKJORFCD-UHFFFAOYSA-N", "SMILES:CCc1nc2c(F)cc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMUGYLNUWRMPT-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)cc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4F)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOJTXMNMQJSFMQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4nc(C)c(=O)[nH]c4c3)CC2)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSQCFXSKGLJCO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(Cc3ccc4cc(C)c(=O)[nH]c4c3F)CC2)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDWSEEKYETWQOX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4nc(C)c(=O)[nH]c4c3)CC2)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFFFFZWUCHYKJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4cc(C(F)F)c(=O)[nH]c4c3F)CC2)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRRZABEPJXVLV-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cc3cccc(OCCn4cncn4)c3n2CC2CC2)nc2cc3c(cc21)CCN(CC(N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFRJSYCHSXGKZ-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cc3cccc(OCCn4cnnn4)c3n2CC2CC2)nc2cc3c(cc21)CCN(CC(N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPYSMKILPZOVSD-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cc3cccc(OCCn4ccnc4)c3n2CC2CC2)nc2cc3c(cc21)CCN(CC(N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYBRNLGMWOIAD-UHFFFAOYSA-N", "SMILES:COC(=O)N(C)CCOc1cccc2cc(-c3nc4cc5c(cc4n3C)CCN(CC(N)CF)C5=O)n(CC3CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSSQKPFLUZJLND-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cc3cccc(OCCc4cnoc4)c3n2CC2CC2)nc2cc3c(cc21)CCN(CC(N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMFNHGMJLLUKKO-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cc3cccc(OCC4CNC(=O)O4)c3n2CC2CC2)nc2cc3c(cc21)CCN(CC(N)CF)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKZVTSIDAWYMSJ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)Cc1nc(C)nn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAGWFCJNLPTZOE-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)Cc1nn(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSHIEBIQWJDRW-JQKGTWBISA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C([2H])([2H])c1nn(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAGWFCJNLPTZOE-JIZANVDTSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)C([2H])([2H])c1nn(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSHIEBIQWJDRW-WTJPRRJNSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)Cc1nn(C([2H])([2H])[2H])nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAGWFCJNLPTZOE-WTJPRRJNSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)Cc1nn(C([2H])([2H])[2H])nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZAWRNQDLYPVML-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)Cc1nn(CC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHPBZFMMWHUXAA-FUPFOCIHSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)[C@@H](C)c1nn(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYPBYVBXKSULS-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)Cc1cn(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPZUPMJWWNZNAM-JQKGTWBISA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C([2H])([2H])c1cn(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYPBYVBXKSULS-JIZANVDTSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)C([2H])([2H])c1cn(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRMMURATFWTDRN-FUPFOCIHSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)[C@@H](C)c1cn(C)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPNBPDEMMBTQZ-DYESRHJHSA-N", "SMILES:CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDVGIPZJOAWMX-CRAIPNDOSA-N", "SMILES:O=C(O)C1=CCS[C@@H]2[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPKOSAZWNSMAIR-RDTXWAMCSA-N", "SMILES:O=C(O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCBFDVDVIEILB-OXQOHEQNSA-N", "SMILES:Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHGANNMAJUUPJI-DYESRHJHSA-N", "SMILES:Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4ccc(COc5ccc(Br)cc5Cl)o4)[C@H]3SC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWHPKQWCMVDIF-OXQOHEQNSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFQPYTSFOSBDRO-AXFWHVGXSA-N", "SMILES:C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOVDHPCBUNJJAF-RVKKMQEKSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBDZJQVIFVGBA-OXQOHEQNSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(F)cc4Cl)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMMPMMNVEQLPTH-DYESRHJHSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(C#N)cc4Cl)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGCTZRAXJRLHP-OXQOHEQNSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(F)cc4)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJJUEVVJYNFSHY-OXQOHEQNSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccccc4)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVTCFDAMJKJIJG-DNVCBOLYSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4cccnc4)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAKEKGGFDHWOO-FOIQADDNSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(C(=O)Nc4ccc(Br)cc4Cl)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGDRUMYTTZOAK-DYESRHJHSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COCc4ccc(Br)cc4Cl)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHTDWVCVWLMVSE-OXQOHEQNSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)s3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLSMNSBJHXDQEN-XMSQKQJNSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3cccc(COc4ccc(Br)cc4Cl)c3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXMSBYPRLHUMJB-QMTHXVAHSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(CCl)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWELHZFXDWWBDI-QMTHXVAHSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(CF)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKACGDCFVPOBOS-QMTHXVAHSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(C)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDERASRJZSGZKY-NOZJJQNGSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccco3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUFXJRQERXMLAT-IAQYHMDHSA-N", "SMILES:C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COC)o3)[C@H]2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNJVMBOIQMXAY-UHFFFAOYSA-N", "SMILES:S=C(Nc1ccccn1)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODSVHQSLTOGPIF-KGLIPLIRSA-N", "SMILES:Cc1nnc(C#C[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)C2(c3ccc(Cl)s3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWZDFQSJSHQNV-CVEARBPZSA-N", "SMILES:NC(=O)C[C@@H](C#Cc1ccncn1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPAMJCFLVJSFAP-YKSBVNFPSA-N", "SMILES:Cc1nnc(C#C[C@H](CC(N)=O)NC(=O)[C@@H]2c3ccccc3CN2C(=O)C2(c3ccc(Cl)cc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGMTVXNXOCLPDH-RDGATRHJSA-N", "SMILES:NC(=O)C[C@@H](C#Cc1ccncn1)NC(=O)[C@@H]1c2ccccc2CN1C(=O)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZPQTXOTADXKM-BWKNWUBXSA-N", "SMILES:NC(=O)C[C@@H](C#Cc1cnccn1)NC(=O)[C@@H]1c2ccccc2CN1C(=O)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIPKHRNBJGVDER-QUCCMNQESA-N", "SMILES:NC(=O)C[C@@H](C#Cc1ccncn1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPEQXVJBLCGBFV-OPSAFMONSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCC(=O)NCCn1nnc(COc3ccc(Cl)c4c3[C@@H](CN3CC5(CC5)CC3=O)N(C(=O)[C@@H]3CCCC[C@]3(C)C(=O)O)CC4)c1C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQAWVYFVGDCWMX-IGEOTXOUSA-N", "SMILES:Cc1cc(F)cc([C@@H]2CCc3nn(C45CC(F)(C4)C5)c(=O)n32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXGNZBPBSYINC-SOISORPOSA-N", "SMILES:O=c1n(C23CC(F)(C2)C3)nc2n1[C@H](c1cc(F)c(Cl)c(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZYRTQUZWARIHC-JQRITLKVSA-N", "SMILES:O=c1n(C23CC(F)(C2)C3)nc2n1[C@H](c1ccc(Cl)c(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKAWTHKTGSVXOF-IGEOTXOUSA-N", "SMILES:Cc1c(F)cc([C@@H]2CCc3nn(C45CC(F)(C4)C5)c(=O)n32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGPUZRTTYHJLJH-NNGSBXSVSA-N", "SMILES:Cc1c(F)cc([C@@H]2CCc3nn(C45CC(C#N)(C4)C5)c(=O)n32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAJYDZXWUQIBAA-IGEOTXOUSA-N", "SMILES:N#CC12CC(n3nc4n(c3=O)[C@H](c3cc(F)cc(F)c3)CC4)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNEZBJQEOUIBII-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(N4CCNCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAAJSGJPVLEYEG-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(C4CCNCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGJIYCAHPIARZ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ncc(C4CCNCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDIMWPZAURYSDH-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2cnn(Cc3ccc(C4CCNCC4)cc3OC(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWWAZGACIXNOP-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2c(C)nn(Cc3ncc(C4CCNCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJWCHGXIJXYHX-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2c(CC)nn(Cc3ncc(C4CCNCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQAIWYNAOAJUTE-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2c(C3CC3)nn(Cc3ncc(C4CCNCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXMIDTYQYABCP-KRWDZBQOSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCNCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RECNBFDDEDLPMO-SFHVURJKSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCN(C)CC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECNMGUTZUJUNE-FQEVSTJZSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCN(C(C)C)CC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQQVSCOBBANBJ-IBGZPJMESA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCN(CC#N)CC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCOUPQNDNAMGH-IBGZPJMESA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCN(CCO)CC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRJLAWKPZNKQG-NRFANRHFSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCN(C5CCOCC5)CC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZRJLAWKPZNKQG-OAQYLSRUSA-N", "SMILES:CCC[C@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCN(C5CCOCC5)CC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHURDFGCCPFPTN-NRFANRHFSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCN(C5CCNCC5)CC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHOEMKGQVRKSK-QFIPXVFZSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCN(C5CCN(C)CC5)CC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAOCICYHQCACQ-KRWDZBQOSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CC5(CNC5)C4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWMDLMMMCKWONR-IBGZPJMESA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4=CC5(CCNCC5)C4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPPXVBBVJBZOG-IBGZPJMESA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCC5(CC4)CNC5)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWENRDOMYMNPMQ-NRFANRHFSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CC5(C4)CN(C4CCOCC4)C5)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRIBYAKSLGDQS-QHCPKHFHSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4=CC5(CCN(C6CCOCC6)CC5)C4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XESJWGJLVUUJSX-QHCPKHFHSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCC5(CC4)CN(C4CCOCC4)C5)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDKPMMVGAOTICF-FQEVSTJZSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CC5(C4)CN(C(C)C)C5)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPVSJDHDRXMYNB-QFIPXVFZSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4=CC5(CCN(C(C)C)CC5)C4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUUVHALKIFCMAJ-QFIPXVFZSA-N", "SMILES:CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ncc(C4CCC5(CC4)CN(C(C)C)C5)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPSSYKFYAHONTK-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]nc(CCN(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPSSYKFYAHONTK-RJSZUWSASA-N", "SMILES:[2H]C([2H])(Cc1n[nH]c2ccc(OC)cc12)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPXSSTRGWNQATI-UHFFFAOYSA-N", "SMILES:CN(C)CCc1n[nH]c2ccc(O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNDPIXZRQWKEFZ-SECBINFHSA-N", "SMILES:C[C@@H]1C=C(c2c[nH]c3ncccc23)CNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQGCMOHWSAZKFN-UHFFFAOYSA-N", "SMILES:C1=C(c2n[nH]c3ccccc23)CNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEOXJWUZOSTIZ-UHFFFAOYSA-N", "SMILES:Cn1nc(C2=CCCNC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZAHEVLLVSEENQ-UHFFFAOYSA-N", "SMILES:Brc1ccc2[nH]nc(C3=CCCNC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHIORJNUVOCYKD-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]nc(C3=CCCNC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHLPOBYDCKBGIB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]nc(C3=CCCNC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOIHJSAGGLCHH-VOYALFGYSA-N", "SMILES:COc1ncc(-c2cc(Oc3ccc(/N=N\\c4ccc(Oc5cc(-c6cnc(OC)c(NS(=O)(=O)c7ccc(F)cc7F)c6)cc6c(C)ncnc56)cc4)cc3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXOIHJSAGGLCHH-AZGLQUJLSA-N", "SMILES:COc1ncc(-c2cc(Oc3ccc(/N=N/c4ccc(Oc5cc(-c6cnc(OC)c(NS(=O)(=O)c7ccc(F)cc7F)c6)cc6c(C)ncnc56)cc4)cc3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL457530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDGMGEXADBMOMJ-LURJTMIESA-N", "SMILES:CN(C)C(=N)NCCC[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL11471", "category": ["biolink:ChemicalEntity"], "name": "L-NIO", "xref": ["InChIKey:UYZFAUAYFLEHRC-LURJTMIESA-N", "SMILES:CC(=N)NCCC[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"name": "Nitric oxide synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL4719"], "id": "UniProtKB:Q9Z0J4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWWTGBEFOMQTM-LURJTMIESA-N", "SMILES:CCSC(=N)NCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7889", "category": ["biolink:ChemicalEntity"], "name": "L-NIL", "xref": ["InChIKey:ONYFNWIHJBLQKE-ZETCQYMHSA-N", "SMILES:CC(=N)NCCCC[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5422496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFGZPKOOOLHNM-IENPIDJESA-N", "SMILES:CC(=N)NCCCC[C@H](N)C(O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL420671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNRMJBWADUSJTA-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(Nc2cc(C)ccn2)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1221704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTMGBDWWPDXKH-CYBMUJFWSA-N", "SMILES:NC1=N[C@H](COc2ccc3c(c2)CCNC3)COc2ccsc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMDRHVQXMBGSGU-ZETCQYMHSA-N", "SMILES:C=CCC(=N)NCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACTXPNAHMKBUTO-BYPYZUCNSA-N", "SMILES:NC(N)=NCCC[C@H](N)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGWACHYAMTLAF-BYPYZUCNSA-N", "SMILES:N/C(S)=N/CCC[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKHAGQZCIAFTOX-UHFFFAOYSA-N", "SMILES:CCCSC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505665", "category": ["biolink:ChemicalEntity"], "name": "BENZYL CARBAMIMIDOTHIOATE", "xref": ["InChIKey:GTRLQRHWPXEBLF-UHFFFAOYSA-N", "SMILES:N=C(N)SCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPMPPVUBRPXMNX-UHFFFAOYSA-N", "SMILES:CCCCSC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL483091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSNABKEYXKKMK-UHFFFAOYSA-N", "SMILES:CC(C)SC(=N)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL107201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEUSLPIIQGZHQB-UHFFFAOYSA-N", "SMILES:N=C(N)SCCc1cccc(CCSC(=N)N)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL321691", "category": ["biolink:ChemicalEntity"], "name": "ETHYLISOTHIOUREA", "xref": ["InChIKey:VFIZBHJTOHUOEK-UHFFFAOYSA-N", "SMILES:CCSC(=N)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL80352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYYGWTHTRXMJJX-UHFFFAOYSA-N", "SMILES:N=C(NN)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAXNJIWNBHHMDO-UHFFFAOYSA-N", "SMILES:CCSC(=N)Nc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL323542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCMOXIFARISMOH-UHFFFAOYSA-N", "SMILES:CCSC(=N)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVICIFJHBFRBO-OIADKPKDSA-N", "SMILES:C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL96680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBEVPGRULCCSQA-UHFFFAOYSA-N", "SMILES:N=C(Nc1cccc(CN)c1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL594682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOKPLCASUFBAN-XLIONFOSSA-N", "SMILES:Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL480419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOKPLCASUFBAN-FXAWDEMLSA-N", "SMILES:Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1"]}
{"name": "Nitric oxide synthase 3", "xref": ["CHEMBL.TARGET:CHEMBL2643"], "id": "UniProtKB:P70313", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL67498", "category": ["biolink:ChemicalEntity"], "name": "CAFFEIC ACID PHENETHYL AMIDE", "xref": ["InChIKey:QOWABIXYAFJMQE-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5426729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYSVHSGJVNSLX-MQPGLQCDSA-N", "SMILES:O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(Oc4c(C(=O)O[C@@H]5[C@@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@@H]6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC[C@H]6O[C@H]5O)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL469866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPCKAAAWDCDCW-VKHMYHEASA-N", "SMILES:N[C@@H](CCSN=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL364952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPIABCWQMIHNO-BYPYZUCNSA-N", "SMILES:C/N=C(\\N)NCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRILJVOCVSUPMA-ZETCQYMHSA-N", "SMILES:CCCC(=N)NCCC[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL456882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUSNBVJTFYDFKR-SGJFDWMWSA-N", "SMILES:C/C=C/CC(=N)NCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYIBCZWVLDODOL-LURJTMIESA-N", "SMILES:CCC(=N)NCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL107528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMXURITGZJPKB-ZETCQYMHSA-N", "SMILES:CCCNC(=N)NCCC[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL106425", "category": ["biolink:ChemicalEntity"], "name": "5-N-ALLYL-ARGININE", "xref": ["InChIKey:ZPQWZDPOLXVMOU-ZETCQYMHSA-N", "SMILES:C=CC/N=C(/N)NCCC[C@H](N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL106423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTTVZPAFLABJB-QMMMGPOBSA-N", "SMILES:C=CCCNC(=N)NCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL197234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAYULXZCALADJD-ZETCQYMHSA-N", "SMILES:C#CCNC(=N)NCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDQLJWDFPZZSF-QMMMGPOBSA-N", "SMILES:COCCNC(=N)NCCC[C@H](N)C(=O)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFXHWUWGYIFYND-ZETCQYMHSA-N", "SMILES:COCCNC(=N)NCCC[C@H](N)c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHZVWHPQDRDCQT-ZETCQYMHSA-N", "SMILES:COCCNC(=N)NCCC[C@H](N)c1noc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJCIZZHMDNHDN-QMMMGPOBSA-N", "SMILES:COCCNC(=N)NCCC[C@H](N)C(=O)NOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWSVXVDMUDJJS-ZETCQYMHSA-N", "SMILES:COCCNC(=N)NCCC[C@H](N)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYNJYPKPDAGPU-QMMMGPOBSA-N", "SMILES:CCCCC(=N)NCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZUBJRRRFFEBDQ-YFKPBYRVSA-N", "SMILES:N=C(CCl)NCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJOFCCBFCHEHK-UHFFFAOYSA-N", "SMILES:c1cc(Sc2ccncc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVFMGXXYJDHANY-LURJTMIESA-N", "SMILES:N=C(CCl)NCCCC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2087645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFBMFWHEXBLFCR-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEAIOHHGRGSGGJ-UHFFFAOYSA-N", "SMILES:OCc1cc(Cl)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKOHQYOLVYOSPK-UHFFFAOYSA-N", "SMILES:C#CCCNC(=N)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDSMPJLRZKCEO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3nccs3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAGFWKNDZFSNV-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)c1ccccc1SC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKEGCMAVZVNCLI-UHFFFAOYSA-N", "SMILES:CCCCC#CCNC(=O)c1ccccc1SC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNTGSDPTWZPULU-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1ccccc1SC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPUYLGYBKZYCCC-UHFFFAOYSA-N", "SMILES:CCCCC#CCNC(=O)c1ccccc1SC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJUDWQVQWSDZGS-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)c1ccccc1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDIALKXUMMKDJ-UHFFFAOYSA-N", "SMILES:CCCCC#CCNC(=O)c1ccccc1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCAICDJJGJHLNS-AUKLCZKGSA-N", "SMILES:CSCC[C@H](N)C(=O)N[C@H]1CSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFAQQCAFRJPPLP-HGEZHSTHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC/C=C\\CCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHUBGNZLXZQSU-CBMCWMJTSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRGQJNUPNQPHQP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1345120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATLFRMTHALRQT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFPLJFSHRAQPV-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(S(N)(=O)=O)ccc1NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZFEGZKOFUYHY-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2s1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMEZTOZNZTWJET-YNDRMARASA-N", "SMILES:COc1c(C)cc(N2C[C@@H](O)[C@@H](O)C2=O)cc1/C=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXYCXXAVTYSCU-ONEGZZNKSA-N", "SMILES:COc1ncc(NS(C)(=O)=O)cc1/C=C/C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKXOVBCMOZQNC-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUCYNFCBBSWBH-PEDCNIOBSA-N", "SMILES:Cc1ccc2nc(Cn3cc(CN(C(=O)CCC(=O)OC(C)(C)C)C(C(=O)N[C@H]4C[C@@H]5CC[C@@]4(C)C5(C)C)c4c[nH]c5cc(Cl)ccc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOCJYBMQWMFFSG-UHFFFAOYSA-N", "SMILES:CCC(=O)NC(c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5411056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVUHZTKIGIUMDM-UHFFFAOYSA-N", "SMILES:Oc1c(C(Nc2ccccn2)c2ccc(-c3ccccc3)cc2)ccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGQXJTHBGDFHCG-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc2c(Oc3cccc(Cl)c3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWGIASRFJITIE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWIBNEYCDPQBGE-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTUJBJSCGHJJMB-UHFFFAOYSA-N", "SMILES:Nc1nonc1-n1nnc(C(=O)N/N=C2\\C(=O)Nc3ccccc32)c1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQHPXDBDNXZRB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1-n1nnc(C(=O)N/N=C2\\C(=O)Nc3ccccc32)c1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIGIVKRUTGBFHY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)/C(=N/NC(=O)c1nnn(-c3ccccc3N)c1-c1ccc(Cl)c(Cl)c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNRJAIIHCKGTCV-UHFFFAOYSA-N", "SMILES:O=C(O)C(c1ccccc1)n1cccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUNWKJHAANLIKU-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)ncn2CN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNTSAPCDDURUIB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQYWJIHIOUWSFF-CYFBHIGMSA-N", "SMILES:C=CC(=O)Nc1cc(/C=C/[C@H]2CC[C@H](C(F)(F)F)CC2)c(OC)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPEKVECPUVWNMA-ONEGZZNKSA-N", "SMILES:C=CC(=O)Nc1cc(/C=C/C2CCC(F)(F)CC2)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXBCPYDOWMHNKM-ONEGZZNKSA-N", "SMILES:C=CC(=O)Nc1cc(/C=C/C2CCC(F)(F)CC2)c2c(c1F)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFQUDJGAKDKWLJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2ccn(CCCCC)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVZSUKUHPWHPD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2cc(CCCC)on2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJMZNQKGLHFAFA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZUDLYRTTDUGDI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(CCOc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTIIPNSRWUVQFU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(CCCOCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYKFCUEVTUBID-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCN(CCCOCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMKNJZPXSLMGX-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CC(COc2cccc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFMNJEVDHUYCRR-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC12CC(COc3cccc(C(F)(F)F)c3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHCVKJKKGVVNW-UHFFFAOYSA-N", "SMILES:C=CC(=O)NC1CC2(CC(NCc3cccc(C(F)(F)F)c3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL352155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEBXPXPYKOARL-UHFFFAOYSA-N", "SMILES:O=C(O)c1nccn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKBEODEJZOBGK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ncsc1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEPZUWKBDASKY-UHFFFAOYSA-N", "SMILES:O=C(O)c1nccn1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSGRTUCPFVDKP-UHFFFAOYSA-N", "SMILES:CC(Cn1ccnc1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKYOCUYUBWTSTE-UHFFFAOYSA-N", "SMILES:O=C(O)c1nccn1CCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODAQAAFTKILOCB-UHFFFAOYSA-N", "SMILES:O=C(O)c1nccn1CCc1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEELPIZSVMZXPC-UHFFFAOYSA-N", "SMILES:O=C(O)c1nccn1CCc1ccc(-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYQXGSPVFHWHG-UHFFFAOYSA-N", "SMILES:O=C(O)c1nccn1CCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKLXEJUNJYXDF-UHFFFAOYSA-N", "SMILES:O=C(O)c1nccn1CCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRTIJUWHOUJXHL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ncsc1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWZCWOCZUUQBLU-UHFFFAOYSA-N", "SMILES:COc1cccc(CCc2scnc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGLGDANSUKTJV-UHFFFAOYSA-N", "SMILES:O=C(O)c1nccn1CCc1ccc(-c2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1568996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMHYGXRUWDIRC-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc(-c2cc(Cl)ccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1387710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQGLOCBEIOZESH-UHFFFAOYSA-N", "SMILES:CCNc1nc(N)nc(-c2cc(Cl)ccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCPHBPHEMUDTST-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLZDHSRHLCFCED-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccccc2)nc(-c2cc(Cl)ccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZOXMNBOOWFCLC-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(Br)c(=O)n(CC(=O)Nc2ccc(Br)cn2)c1=O)Nc1ccc(Br)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJJVFGMNLSTHA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-n2cc(CN3CCN(CCO)CC3)nn2)c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNLQGSBVSZMGR-FQEVSTJZSA-N", "SMILES:O=C(Nc1cccc(-n2cc(CN3CCC[C@H]3CO)nn2)c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTHFFYNGWRXFG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NCc3cn(-c4cccc(CNc5cc(F)cc(F)c5)c4)nn3)cc2C(=O)N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQVOHKBYIBRJBY-UHFFFAOYSA-N", "SMILES:COCC(C)Nc1ccc(NS(=O)(=O)N(C)C)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZYCIBJEXCWXRK-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCIBGIZWIHRMR-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nnn3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTTBFTIBOJAMGD-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nnn3S(=O)(=O)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNWVWUDEUYLBJC-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nnn3C(=O)Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORQHVURKSCPKMT-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nnn3S(=O)(=O)c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WODTWIMJSXLNPP-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nnn3C(=O)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSFKHBLXWAEAQF-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NC(=O)Nc2ccccc2)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUVCOAVTCZYCMV-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NC(=O)c2ccccc2)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULOYXGBCRAJKQQ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)N(C)C)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANXORWXGHTGTA-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(N2CCS(=O)(=O)CC2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDYJZCFGKARTFU-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(N2CCOCC2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVHKKJJUXOMRTL-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCCN2CCOCC2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPBIEQQYKYJHDP-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCCCN2CCOCC2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQQDFWSJBHKHII-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(N2C3CCC2COC3)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHVUKOICBIIMZ-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCC2CCCO2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEUKBCQGIOBQZ-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCc2ccco2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPRSMAKAABNDOK-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NC2COC2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDQMKWVARSYNL-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCCO)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQWXMUFKNYFON-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCC2CC2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYAYFLUXGAIIO-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2F)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJMTQVOLLGESW-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGWWCEKZAZIAJM-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCc2ccccc2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHOIKHCRBVFWIH-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCCc2ccccc2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJQBFIAARZIGC-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCC(c2ccccc2)c2ccccc2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSWTUJGZJKHBM-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCC(O)c2ccccc2)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APUWEABWXHEPIM-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCc2cccc3ccccc23)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKRORSVOJHPCJD-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIQYTRKHDZNHBN-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1ccc(NCCc2c[nH]c3ccccc23)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHFNYVAVRLUHJ-HJPURHCSSA-N", "SMILES:C[C@H](Nc1ccc(NS(=O)(=O)N(C)C)c(Nc2ccc3[nH]nnc3c2)n1)[C@@H](c1ccccc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVYJVPAJXRIEH-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(C)(=O)=O)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNRMBUNHVYHBPF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(NC(C)C)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVIFQNRWRAVNU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(NC(C)C)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFYIXGGNFVUFX-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)C2CC2)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USIHGSQNFWYEGV-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)C(C)C)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNRMAMBZPITKEZ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)C2CCCCC2)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRVLKOHKDVUBAU-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)c2ccccc2)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNHOTUDOMQQJJ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)c2c(F)cccc2F)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDUWVGYJGIYQA-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)c2cccs2)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWRARBXPLHGRX-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVXNMILOPHUCJK-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)c2ccccc2F)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQFGXCIEYSDHW-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)c2cccnc2)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCAOTWCFQQZPP-UHFFFAOYSA-N", "SMILES:COC(=O)NS(=O)(=O)Nc1ccc(NC(C)C)nc1Nc1ccc2[nH]nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFUAWNAAWKFIL-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEQRJPFVAXMZCF-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHHRPHXUZSQWAX-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(Nc2ccc3[nH]nnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLYIOTWDNWJXHY-RGDJUOJXSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OCCOCCOCCN=[N+]=[N-])O[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSWFLMKNJDNNF-UVFFFCKLSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OCCOCCOCCN=[N+]=[N-])O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODCSAHBYDSBXRV-MUKCROHVSA-N", "SMILES:[N-]=[N+]=NCCOCCOCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPXSSHUJLGXNL-HGDLYXEVSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OCCOCCOCCn2cc(CCC(=O)NC[C@H]3O[C@@H]4O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@H]4O)O[C@@H]%10CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)O[C@@H]9CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)O[C@@H]8CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)O[C@@H]7CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)O[C@@H]6CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)O[C@@H]5CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)nn2)O[C@H](CO)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSDCFWKTANPBFC-OPPINWNCSA-N", "SMILES:CC(=O)N[C@H]1[C@@H](OCCOCCOCCn2cc(CCC(=O)NC[C@H]3O[C@@H]4O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@H]4O)O[C@@H]%10CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H]4NC(C)=O)nn3)O[C@@H]9CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]4NC(C)=O)nn3)O[C@@H]8CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H]4NC(C)=O)nn3)O[C@@H]7CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]4NC(C)=O)nn3)O[C@@H]6CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]4NC(C)=O)nn3)O[C@@H]5CNC(=O)CCc3cn(CCOCCOCCO[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)nn3)nn2)O[C@H](CO)[C@H](O)[C@@H]1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKVZLFLAFGGPCD-DTDGVCFRSA-N", "SMILES:O=C(CCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1)NC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CNC(=O)CCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]2O)nn1)O[C@@H]7CNC(=O)CCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]2O)nn1)O[C@@H]6CNC(=O)CCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]2O)nn1)O[C@@H]5CNC(=O)CCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]2O)nn1)O[C@@H]4CNC(=O)CCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]2O)nn1)O[C@@H]3CNC(=O)CCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFGCNXJCWOEPF-MTQUEUHBSA-N", "SMILES:C#Cc1occc1[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H](C(=O)OC)C[C@H](OC(C)=O)C(=O)[C@@]32C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDERQNAMIWOFFX-UHFFFAOYSA-N", "SMILES:CCCCN(CCc1ccccc1)CCc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2368218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAVQVALXVLMHLE-WILYLXEWSA-N", "SMILES:C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL592", "category": ["biolink:ChemicalEntity"], "name": "LEVORPHANOL", "xref": ["InChIKey:JAQUASYNZVUNQP-USXIJHARSA-N", "SMILES:CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13"], "synonym": ["Levorphanol", "Levorfanol", "Levorphanol", "Aromarone", "Levorphan", "Levorphanol", "IDS-NL-007", "RO 1-5431"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5401204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMNTSJPZFKITJ-XPIIVLSASA-N", "SMILES:O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc[n+](Cc2ccccc2)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXPCRPAFWTXDG-LRMCMHORSA-N", "SMILES:COC(=O)[C@@H]1C[C@H](OC(=O)C2=Cc3ccccc3C2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQJGZGAYSCWFCK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZYYQXQGPIBHMA-ZGFBMJKBSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](CC1=CC=CCC1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXGCILRKVWBTK-OMRVPHBLSA-N", "SMILES:CCCC[C@@H](NC(=O)[C@@H](CC1=CC=CCC1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCNZUTYGSXLVNS-CXDXLJMYSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CCC1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCN)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWSLWJUALGONQ-SKKKGAJSSA-N", "SMILES:CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CCC1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTIFKSFIQUZRRN-JXGKSYOJSA-N", "SMILES:O=C(N[C@@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118865", "category": ["biolink:ChemicalEntity"], "name": "SPIRADOLINE", "xref": ["InChIKey:NYKCGQQJNVPOLU-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCC2(CCCO2)CC1N1CCCC1"], "synonym": ["Spiradoline", "Espiradolina", "Spiradoline"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL610279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDKOGAAFSBGLBO-GYHUNEDQSA-N", "SMILES:N=C(N)Nc1ccc2c3c([nH]c2c1)[C@@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYBCTDWHXSJNI-CBRSEMLDSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCCCc2ccccc2)[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEBWOBCPDZZTRM-UIGZQWRCSA-N", "SMILES:O=C(O[C@@H]1[C@@H]2[C@H]3C[C@@H](C[C@H]2C(=O)O[C@H]1c1ccoc1)OC3=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYJFLKFMMFVJNM-LEWJYISDSA-N", "SMILES:O=C1CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1160994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBJFKTLXEOJJBT-IWSPIJDZSA-N", "SMILES:Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUVBLTZKPNZGIZ-IWSPIJDZSA-N", "SMILES:Cc1cn([C@H]2C[C@H](CN)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1160993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCFVCUGTVLSMX-IWSPIJDZSA-N", "SMILES:Cc1cn([C@H]2C[C@H](CF)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL340604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZDHPCIIVLDJJD-IWSPIJDZSA-N", "SMILES:Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJOHDYKWJQAIML-FDDDBJFASA-N", "SMILES:Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@H]32)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFAWDTNAVSKRFH-VRLCQRPESA-N", "SMILES:Cc1cn([C@H]2C[C@H](NC(=O)N[C@H]3C[C@H](c4[nH]c(=O)[nH]c(=O)c4C)O[C@@H]3O)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL430363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGLJFXYYGKUBBV-VCTAVGKDSA-N", "SMILES:Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)[C@@H](CO)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJDGQXGQAWBJEG-BFHYXJOUSA-N", "SMILES:Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)O2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDUUVXSTHWVZQG-IHWYPQMZSA-N", "SMILES:Cc1cn(C/C=C\\CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVNBCXKGBLWOV-GFOCRRMGSA-N", "SMILES:OC[C@H]1O[C@@H](n2ccc3c(-c4cc5ccccc5o4)nc(F)nc32)[C@H](O)[C@@H]1O"]}
{"name": "Adenosine kinase", "xref": ["CHEMBL.TARGET:CHEMBL4105883"], "id": "UniProtKB:P9WID4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83331"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDABUGXOHNDJY-WGQQHEPDSA-N", "SMILES:OC[C@H]1O[C@@H](n2ccc3c(-c4cccc5c4oc4ccccc45)nc(F)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCKGZWQBYRMYOA-WOJGMQOQSA-N", "SMILES:COc1ccc(-c2csc(N3N=C(C)/C(=C\\c4ccc(Cl)cc4)C3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYCXFYOFXTPSO-XDHOZWIPSA-N", "SMILES:COc1ccc(-c2csc(N3N=C(C)/C(=C\\c4ccc(C)cc4)C3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQDSTFROVKHPSW-LICLKQGHSA-N", "SMILES:CC1=NN(c2nc(-c3ccc(F)cc3)cs2)C(=O)/C1=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCRSOXZYRDBQJC-LICLKQGHSA-N", "SMILES:CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNOQLIZWEIRJDO-LICLKQGHSA-N", "SMILES:CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)/C1=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNARPOLYNAUKY-LICLKQGHSA-N", "SMILES:CC1=NN(c2nc(-c3ccccc3F)cs2)C(=O)/C1=C/c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVCLMYSINADDDO-WOJGMQOQSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(F)cc4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERKRVMKTCGOCQ-VCHYOVAHSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4cccc(F)c4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMKIQPOXPCHAN-GZTJUZNOSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccccc4F)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITOFIABNVNLAN-XDHOZWIPSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(OC)cc4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTXOGZCFVHKKL-YBFXNURJSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4cccc(OC)c4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUZUTWGQUCUAL-LDADJPATSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccccc4OC)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIUKFRIZQJGGMF-XDHOZWIPSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPMFNPIXAHGFI-XDHOZWIPSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4cccc(C)c4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOJXXSILBHZWMS-YBFXNURJSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(C#N)cc4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUAKXVMDGNXFL-YBFXNURJSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4cccc(C#N)c4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOHQSFQRFYLQBD-WOJGMQOQSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(O)cc4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWOVTUXHYSBVJN-WOJGMQOQSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(C(F)(F)F)cc4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYRXAPPWMVAOW-VCHYOVAHSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4cccc(C(F)(F)F)c4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGOBGPYJWSSCDX-WOJGMQOQSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYPCUXWTJFCQF-WOJGMQOQSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIVOQEQVFUNHEA-LICLKQGHSA-N", "SMILES:CC1=NN(c2nc(-c3ccc(F)cc3)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFASWRSKABNJMP-RQZCQDPDSA-N", "SMILES:CC1=NN(c2nc(-c3cccc(F)c3)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAEACEJQGDZUDJ-MHWRWJLKSA-N", "SMILES:CC1=NN(c2nc(-c3ccccc3F)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIRXTEONTGXGKW-WOJGMQOQSA-N", "SMILES:COc1ccc(-c2csc(N3N=C(C)/C(=C\\c4ccc(C(=O)O)cc4)C3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZNSEZVQTWFCIR-VCHYOVAHSA-N", "SMILES:COc1cccc(-c2csc(N3N=C(C)/C(=C\\c4ccc(C(=O)O)cc4)C3=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDEHRWMTYWBMHG-GZTJUZNOSA-N", "SMILES:COc1ccccc1-c1csc(N2N=C(C)/C(=C\\c3ccc(C(=O)O)cc3)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJGXCYQZSQLJMH-WOJGMQOQSA-N", "SMILES:CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWQAKKZHCSNIBZ-WOJGMQOQSA-N", "SMILES:CC1=NN(c2nc(-c3cccc(C)c3)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHSYBMXVMVVKL-VCHYOVAHSA-N", "SMILES:CC1=NN(c2nc(-c3ccc(C#N)cc3)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPHBXFAGIQLREP-VCHYOVAHSA-N", "SMILES:CC1=NN(c2nc(-c3cccc(C#N)c3)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBYPICKFPJBLOL-LICLKQGHSA-N", "SMILES:CC1=NN(c2nc(-c3ccc(O)cc3)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAAKQVGEPHHRCB-LICLKQGHSA-N", "SMILES:CC1=NN(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BASVBEFRHZKYIH-LICLKQGHSA-N", "SMILES:CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEJLAYTHUJTNM-LICLKQGHSA-N", "SMILES:CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)/C1=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3911277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORBNFNIMMFIHO-UHFFFAOYSA-N", "SMILES:CCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(CC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNWVZMHNFBQNLI-UFFVCSGVSA-N", "SMILES:O=c1oc2ccccc2cc1-c1csc(/N=C/c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDSZGHUNVKPRGC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C#N)c3cc4c(=O)oc5ccc(C)cc5c4nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXOABPCQTGANGT-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(-c3ccccc3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSDNYIFUKBRNLF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3nc(C(F)(F)F)cc(-c4ccc(OC)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFMYSZAPDFEXSR-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2ccc3nc(C(F)(F)F)cc(-c4cccc(F)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEQQFAWABXNFV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Cl)c2cc(Br)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRGYTFXKFHMRSS-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2ccc3nc(C(F)(F)F)cc(Cl)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSOUTDABWNWNG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1438157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCJZEMSZSRYHK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJGYMHHFPELSX-VGOFMYFVSA-N", "SMILES:CC(=O)c1sc(N/N=C/c2cccnc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVSCSRSILAQKR-CXUHLZMHSA-N", "SMILES:CC(=O)c1sc(N/N=C/c2ccc(N(C)C)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKVGQPQOMIWTJV-AWNIVKPZSA-N", "SMILES:CC(=O)c1sc(N/N=C/c2ccc[nH]2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGVPSJWTYNXBIO-LZYBPNLTSA-N", "SMILES:CC(=O)c1sc(N/N=C/c2cc3ccccc3[nH]2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUTIYQXWRGOTNA-KEBDBYFISA-N", "SMILES:COc1cccc(COc2ccc(/C=N/N3C(=O)CNC3=S)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZQFDSXGNTOFM-GIDUJCDVSA-N", "SMILES:COc1cc(/C=N/N2C(=O)CNC2=S)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVQSMGBNHFKNL-QDEBKDIKSA-N", "SMILES:O=C1CNC(=S)N1/N=C/c1ccc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITFUHMLMNZTHM-UHFFFAOYSA-O", "SMILES:C=Cn1cc[n+](Cc2ccc(O)c(C=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCCFAUMZNLPDEU-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCN(Cc2ccccc2)C3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWJJEMSONJIFMF-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)C2(C=C(c3cc4oc(=O)c5cc(O)c(O)cc5c4c(=O)o3)c3cc(O)c(O)cc32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1780024", "category": ["biolink:ChemicalEntity"], "name": "PHELLIBAUMIN A", "xref": ["InChIKey:RXORBHSDVJWVOW-HNQUOIGGSA-N", "SMILES:O=c1oc(/C=C/c2ccc(O)c(O)c2)cc2oc3cc(O)c(O)cc3c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5411458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLXHEPBPULJNSX-DUXPYHPUSA-N", "SMILES:Cc1cc2c(cc1O)c(=O)oc1cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRROEHBVDNVGIO-MGTHMIKOSA-K", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(C(=O)[O-])P(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHVXIUTSRUJDU-UHFFFAOYSA-N", "SMILES:O=S1(=O)NC(Nc2cccc3[nH]ncc23)=Nc2c1cc(Cl)c(F)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1651762", "category": ["biolink:ChemicalEntity"], "name": "CANDIMINE", "xref": ["InChIKey:OLGJGNBIBXKMJN-OBCWZRDOSA-N", "SMILES:COc1c2c(cc3c1C(=O)O[C@H]1[C@@H]3[C@H]3C(=C[C@@H]1O)CCN3C)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1173734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZWUHTRPUMHLLE-BSLXNSKLSA-N", "SMILES:O=C1c2cc3c(cc2[C@@H]2[C@H](O)[C@@H](O)C=C4CCN1[C@H]42)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2146129", "category": ["biolink:ChemicalEntity"], "name": "TIAMULIN FUMARATE", "xref": ["InChIKey:YXQXDXAHCSEVSD-GCYNEOGWSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.O=C(O)/C=C/C(=O)O"], "synonym": ["Tiamulin fumarate", "Tiamulin hydrogen fumarate", "SQ 22947", "SQ-22947", "Tiamulin fumarate", "Tiamulin fumarate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPXBEGXUMFAJV-RZLRYBNVSA-K", "SMILES:O=P([O-])([O-])CP(=O)([O-])C[C@@H](O)[C@H]1O[C@@H](n2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2)[C@H](O)[C@@H]1O.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQWELAARPRKLU-POAMGNLISA-K", "SMILES:O=P([O-])([O-])CP(=O)([O-])C[C@@H](O)[C@H]1O[C@@H](n2cc(-c3ccc4ccccc4c3)nn2)[C@H](O)[C@@H]1O.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKMUWLCMKQCJD-QYVSTXNMSA-N", "SMILES:CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Br)(Br)P(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDCKUMXTLNWEEC-IDTAVKCVSA-N", "SMILES:CCCCNc1nc2c(NC)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Br)(Br)P(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFYLCAMJNGIULC-JYDOSRNISA-N", "SMILES:C[C@@H](Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAHILNAHEKBGES-WOCWXWTJSA-N", "SMILES:O=P(O)(O)COC[C@H]1O[C@@H](n2ncc3c(N4CC5(CCc6ccccc65)C4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYFIHDGHLDTBK-KEBDBYFISA-N", "SMILES:O=c1oc2ccccc2cc1-c1csc(/N=C/c2cccc([N+](=O)[O-])c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZVCADMHFJWQMP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWTGPWLADWVGMZ-MHWRWJLKSA-N", "SMILES:O=C(N/N=C/c1ccc(Br)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3192470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYNYZZSBOCBER-MHWRWJLKSA-N", "SMILES:COc1cc(/C=N/NC(=O)c2ccccc2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3211645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCVMRRDGCPODBY-XNTDXEJSSA-N", "SMILES:O=C(N/N=C/c1cccnc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHSNILXAPAXVEH-LFIBNONCSA-N", "SMILES:COc1ccc(/C=N/NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMBARHCBKNHPI-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1Cc1ccccc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUYGAXNZHPLHV-LDADJPATSA-N", "SMILES:C/C(=N\\NS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COMWEQLXRCMGOZ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(-c3nc(-c4c[nH]c5ccccc45)[nH]c3-c3ccc(-c4ccccc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVJOFOIFYVZHMF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBDBDZHLJKDSSB-UFRUDBOASA-N", "SMILES:O=C(OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKHHYRCGMJARZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)cc3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1436168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQRLFUWHHBSRAJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3c(-c4ccc(C)cc4)[nH]nc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLDNYFOHRBTAA-UHFFFAOYSA-N", "SMILES:CC1CCC(NC(=O)C2CCCN(S(=O)(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJMTNBMJSGAPC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCc3cc(-c4nc(NC(=O)CN5CCc6ccccc6C5)sc4C)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNUWJZHRIRQGKN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)n2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQBIDPRLDKFMNW-UHFFFAOYSA-N", "SMILES:O=S(=O)(NC1CCCCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXDKPIQNQHYTBJ-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CNC5CCN(C)CC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHKLZWRTFAXGN-HXUWFJFHSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CNC5CC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTXNZJXZIHFHY-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CNC5CCC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXNQNDZURHUASP-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CNC5CCCC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGYMGPXTAUBHS-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CNCC5CC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBLZSXSCDJPDA-JOCHJYFZSA-N", "SMILES:CCC(CC)NCc1nnc(-c2ccc(Nc3ncc4c(n3)N(C3CCCC3)[C@H](CC)C(=O)N4C)c(OC)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIWFGOHUMHLUTJ-LJQANCHMSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN(C)C)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGJXEBDPRUGAW-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN(C)CCN(C)C)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPDFJOBKRDVFF-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCCC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYSXBYPXSXGPSK-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCCCC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXZYNCBHFJSRH-RBBKRZOGSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCC[C@H]5CO)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGGAMSLOYJZUBD-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCC(O)CC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBDPCQOHDIWBHK-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCC(F)(F)CC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCALTRUJZUJVNM-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCOCC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIDKQUOZUBMNT-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCNCC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVXUTLJJGPPKOI-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCCNCC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWQBQLFHHAOBPA-SELNLUPBSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5C[C@@H](C)N[C@@H](C)C5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXLYKVAONWVIG-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCN(C)CC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRGJJWAGEVENNQ-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCN(CC)CC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODLCOFODIJFOOZ-RUZDIDTESA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCN(CC6CC6)CC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLLIUCXKASRYDQ-AREMUKBSSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCN(C6CCCC6)CC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQASCKESUSWCM-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nnc(CN5CCN(CCO)CC5)o4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHNKQPBVTRYIOB-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CNC5CCN(C)CC5)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGLYEWQFIDVIRT-LJQANCHMSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN(C)C)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLIEIWCEPEJNY-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN(C)CCN(C)C)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLDGJMBOMYKLA-RBBKRZOGSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN5CCC[C@H]5CO)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLSZBLXFINUFG-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN5CCC(O)CC5)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFYYLBLKRNQYSN-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN5CCOCC5)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQFCBITQKNHPX-OAQYLSRUSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN5CCNCC5)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSTRJMHOLBBWNN-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN5CCCNCC5)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJFVKRNWZXTGC-SELNLUPBSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN5C[C@@H](C)N[C@@H](C)C5)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGCKMZYZRHDEBU-JOCHJYFZSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN5CCN(C)CC5)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXIVJKRPGLBHPH-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN5CCN(CC)CC5)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAWVYSMIKFNSAS-HSZRJFAPSA-N", "SMILES:CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN5CCN(CCO)CC5)n4)cc3OC)nc2N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGJBUYBYRDUIY-KSKOPSKJSA-N", "SMILES:C[C@@H](CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGJBUYBYRDUIY-LJQCHSNASA-N", "SMILES:C[C@H](CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5221347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSQAAMUNCFYTG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(C(=O)NCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFUNZGNQBZLLM-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(F)(C4)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFYLXJMGIMWPC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(C(=O)NCC23CC4CC(F)(CC(F)(C4)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSSYPRRUVTCKC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(CNC(=O)c3cc(CO[N+](=O)[O-])ccc3Cl)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQSKFPVKNZXJF-UHFFFAOYSA-N", "SMILES:O=C(NCC1(c2ccc(CO[N+](=O)[O-])cc2)CCCCC1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTWCPAPYQQCLJ-GOSISDBHSA-N", "SMILES:COCCn1cc(C(=O)NC[C@@]2(O)CCCC(F)(F)C2)c2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPOYNHLFNATQO-UHFFFAOYSA-N", "SMILES:CC1CCCC(O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYQLHBHSMQZNU-RBZFPXEDSA-N", "SMILES:C[C@H]1CCC[C@@](O)(CNC(=O)c2cn(CCC(F)F)c3cccc(Cl)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQGQUYUBIGQSH-XIESDHNKSA-N", "SMILES:C[C@@H]1CCC[C@](O)(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPABDSZTIVRCAT-UHFFFAOYSA-N", "SMILES:O=C1CCC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMFZFIORXKOOJR-LRHAYUFXSA-N", "SMILES:O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@]1(O)CCC(O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMYOEMHIWTAFG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(C(F)(F)F)c1Cl)C1(F)CCC(O)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWXGZFXJJWCIA-LEWJYISDSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1Cl)[C@@]1(F)CC[C@](O)(CN2CC(O)C2)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOXJWWUOUUSMJH-UXHICEINSA-N", "SMILES:O=C1CO[C@]2(CC[C@@](F)(C(=O)NCc3ccc(Cl)cc3Cl)c3cccnc32)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBVYXKYYNCPRT-MOPGFXCFSA-N", "SMILES:CS(=O)(=O)C[C@]1(O)CC[C@@](F)(C(=O)NCc2ccc(Cl)cc2Cl)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGJUZGRUZPHVFG-LPHOPBHVSA-N", "SMILES:O=C(NCc1ccc(F)cc1Cl)[C@]1(F)CC[C@H](OCCO)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLPVZRBYUZNIS-PKHIMPSTSA-N", "SMILES:CS(=O)(=O)C1CC[C@@](F)(C(=O)NCc2ccc(Cl)cc2Cl)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODRRCFJWLSSRKZ-UHFFFAOYSA-N", "SMILES:Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKKUQPDHHFZLO-UHFFFAOYSA-N", "SMILES:Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFDIXSSLNPIQTO-UHFFFAOYSA-N", "SMILES:Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXRNXLRIFVBAQ-UHFFFAOYSA-N", "SMILES:Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2cc(F)cc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJODBNDWQKERIN-UHFFFAOYSA-N", "SMILES:Cc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCC(Oc2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWQWGHPVVXWED-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2ccccc2F)CC1)c1cccc2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXHIMQVODZNZKI-UHFFFAOYSA-N", "SMILES:Cc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCC(Oc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJEVNJMNQFZYIQ-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2cccnc2)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHLXKLRKRSHNGV-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2cncc(F)c2)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURNGYIXKFSOLN-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2cccc(F)n2)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVOLMVFNFQLNU-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2cccc(Cl)n2)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRYYRQJTVGMCGQ-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2cccnn2)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMBAFMPQVRAAD-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2cnccn2)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIROYGWFBYBQN-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2nccs2)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRRVKFUGTZSMEE-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2nc(Cl)cs2)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQLAKWIDZOLEQQ-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2nc3ccccc3s2)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQQPAHIQDMZMKL-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2nccc3ncccc23)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDWDCVWZPOOUKG-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2nccn3nccc23)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDUQVJZMFYALU-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2nccn3cnnc23)CC1)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQEUJLBNTRSYME-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c(Nc2nc(=O)cnn2Cc2cncc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBLBSHMBMNGYOU-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)c(F)c(F)c2)c(C)c(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAOYDNOXILBPPJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CO)cc1Nc1nc(=O)ccn1Cc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEDHUVSMIYTDDQ-UHFFFAOYSA-N", "SMILES:Cc1c(F)cc(CO)cc1Nc1nc(=O)cnn1Cc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEENPLFMTPEWAP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncco2)cc1Nc1nc(=O)cnn1Cc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPMJAGIYXRQBN-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCCC2=O)cc1Nc1nc(=O)cnn1Cc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORLXKRNJGLBJF-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCO)cc1Nc1nc(=O)cnn1Cc1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPASUJJILFPCRL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(=O)c3[nH]cnc3n2Cc2ccccc2)c(C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQEZPOJLDSINID-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(=O)c3[nH]cnc3n2Cc2ccc(F)c(F)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTTXUDFYOBXYCC-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(C)c(Nc3nc(=O)c4[nH]cnc4n3Cc3ccc(F)cc3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPMIYCMAZDJOBF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(Nc3cc4sc(C)nc4cc3C)nc(=O)c3[nH]cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICWOCARGEMRAPD-UHFFFAOYSA-N", "SMILES:COc1nc(C)c(Nc2nc(=O)c3[nH]cnc3n2Cc2ccc(F)c(F)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVDJVGNEUIJBC-UHFFFAOYSA-N", "SMILES:CCc1cccc(Nc2nc(=O)c3[nH]cnc3n2Cc2ccc(F)cc2)c1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGECHYGDIBRGNM-UHFFFAOYSA-N", "SMILES:COc1cnc(C)c(Nc2nc(=O)c3c(n2Cc2cc(F)c(F)c(F)c2)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLHDAAWEDTBDV-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(=O)c3onc(C)c3n2Cc2ccc(F)c(F)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQKFSFWQSRQAMS-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(=O)c3nn(C)cc3n2Cc2cc(F)c(F)c(F)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEAGMDYNVKIBMH-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QISIDNNDOQIBGY-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(C)c(Nc3nc(=O)cc4n3C(c3ccc(F)cc3)CC4)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURPTYYCGPVFOA-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N=C(Nc2cc(C)c(C)cc2C)N2C1=NCC2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKHUDONLSKHKE-UHFFFAOYSA-N", "SMILES:CN1C(=O)N=C(NCc2ccccc2)N2C1=NCC2c1cc(F)c(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAAMCAUPBNSCFT-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(=O)cc3n2C(c2ccccc2)CN3C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAILBRZKTWZHU-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYIRWUCJDUMCKN-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEIJAHIKUBFYAG-UHFFFAOYSA-N", "SMILES:O=c1snc(Cc2c(F)cccc2Cl)n1CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCZRBZHJMNWJP-UHFFFAOYSA-N", "SMILES:O=c1onc(Cc2c(F)cccc2Cl)n1CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBZYNMYJJZKIE-UHFFFAOYSA-N", "SMILES:O=c1onc(Cc2c(F)cccc2Cl)n1CC1CCC(C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDWOTAOTLXIBSW-UHFFFAOYSA-N", "SMILES:CC1CC(F)(F)CCN1Cn1c(Cc2c(F)cccc2Cl)noc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPSLLUGZXKNDAJ-UHFFFAOYSA-N", "SMILES:O=c1onc(Cc2ccccc2Cl)n1CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSJOEBCOIWABPA-UHFFFAOYSA-N", "SMILES:O=c1onc(Cc2ccc(Cl)cc2Cl)n1CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQXMSEWYIUXJSZ-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1Cc1noc(=O)n1CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCIMPNNGZAGARQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2noc(=O)n2CC2CCC(F)(F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCDLXAMMSDHBR-UHFFFAOYSA-N", "SMILES:Cc1ncccc1Cc1noc(=O)n1CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXYYMZCRKGZAU-UHFFFAOYSA-N", "SMILES:O=c1onc(CN2CCOc3ccccc32)n1CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKFIMKCNAQXADF-UHFFFAOYSA-N", "SMILES:O=c1onc(Cc2c(F)cccc2Cl)n1CC1CC2CCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFQNRERQRBCISY-UHFFFAOYSA-N", "SMILES:O=c1onc(Cc2c(F)cccc2Cl)n1CC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKEUHBTYCIUVSL-RISCZKNCSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@@H]2CCC[C@H]1c1nnc(-c3ncc(F)cn3)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWVNMGJKGGYLS-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1C2CCCC1c1nnc(-c3ncccn3)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWVNMGJKGGYLS-RISCZKNCSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@@H]2CCC[C@H]1c1nnc(-c3ncccn3)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BASXUBNHRSXLCS-IINYFYTJSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@H]2CCC[C@@H]1c1nnc(-c3cscn3)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZRHNYXYRBNQQ-GXFFZTMASA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@H]2CC[C@@H]1c1nnc(-c3cccs3)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BASXUBNHRSXLCS-YGRLFVJLSA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@@H]2CCC[C@H]1c1nnc(-c3cscn3)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNGAKNDIHFQII-GXFFZTMASA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@H]2CC[C@@H]1c1nnc(-c3ncc(F)cn3)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3967670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEBGPPGXKDCYFN-UHFFFAOYSA-N", "SMILES:O=C(OCC1c2ncn(-c3ccccc3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGNNZPGWQOPGA-SNVBAGLBSA-N", "SMILES:C[C@@H]1c2nnn(-c3ncccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4113200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISYDQNAILIMSB-LLVKDONJSA-N", "SMILES:C[C@@H]1Cc2c(nnn2-c2ccccn2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4112493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFBDZVSZSDYETC-SECBINFHSA-N", "SMILES:C[C@@H]1c2nnn(-c3cc[nH]n3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INFKYEYKQNYCAE-QWHCGFSZSA-N", "SMILES:C[C@@H]1c2nnn(-c3ccccc3)c2C[C@H](C)N1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUWZDSOVDZWSMF-SNVBAGLBSA-N", "SMILES:C[C@@H]1c2nnn(-c3cnccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3937843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUWZDSOVDZWSMF-JTQLQIEISA-N", "SMILES:C[C@H]1c2nnn(-c3cnccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUJRZRQEMXVTRM-UHFFFAOYSA-N", "SMILES:CC1=C(Cn2cc(COCc3ccco3)nn2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSAXQJKUHSUDS-UHFFFAOYSA-N", "SMILES:CC1=C(C(c2ccccc2)n2cc(COCc3ccco3)nn2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAVAGMWMQCWBGT-UHFFFAOYSA-N", "SMILES:CC1=C(C(c2ccc([N+](=O)[O-])cc2)n2cc(COCc3ccco3)nn2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEAHWCHSJMCCDT-UHFFFAOYSA-N", "SMILES:CC1=C(C(c2ccc(Cl)cc2)n2cc(COCc3ccco3)nn2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECILOFRRYCNDH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)n(C(C)CO)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBEHNDBUFKAKRD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCCNC(=O)c1n[nH]nc1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASCINRGTHLHGM-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHLIWWVDMNVOJR-YXYCDYAJSA-N", "SMILES:CCC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENAALZGDCKICB-HNUOEALPSA-N", "SMILES:CCCNC(=O)O[C@H]1[C@H](CCC)C[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1OC(=O)NCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSWJTUDHCKJBC-DTSKBCQWSA-N", "SMILES:CCC[C@@H]1C[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAKNBLVUBRXYQD-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLAYPRSSJNQDC-UHFFFAOYSA-N", "SMILES:CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZQSUBZCZZLAX-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHMXXVNQAFCXKK-QGZVFWFLSA-N", "SMILES:C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3673622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRKDQSJJVVIXFN-CQSZACIVSA-N", "SMILES:C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)nc3n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1775071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQAZIFVMVELJS-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(=NNc2ccc(O)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGHPEQKPRLYTJ-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=NNc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTKFZOKAGMJKJV-CJZSUQAOSA-N", "SMILES:CCCNC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHWZPTAZWZKCEQ-LFIBNONCSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\CNc3ccc(F)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKXBCHNPARCGH-ZROIWOOFSA-N", "SMILES:Cc1nc2c(c(C)c1O)/C(=C/c1ccc3ccccc3n1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACNPQTUUNBSWHB-RBZQAINGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3CCC3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEIXEADYQCIQLV-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3CCCC3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNBSRTPGYQWHJJ-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3CCCCC3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLBHZPQDZUIEM-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCC3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSLVYMOQZYJOOS-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCCC3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRFGULNLJKZMEW-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc4c(c3)CC4)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUIWIIBAPWUMU-ZGIBFIJWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc4c(c3)CCC4)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOJGOHXQTIVAOQ-FRXPANAUSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc4c(c3)CCCC4)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCRWWERXAIBXNZ-KJYTXNCISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc4c(c3)OCC4)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERIZQJOORQBHA-SKBVVQJISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3cccc4c3OCO4)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYOMFFPNTMSKMB-HNPKZYAISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccc4c(c3)OCCO4)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYUWUJHOIOXRCN-UPRLRBBYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3Cc4ccc(F)cc4C3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPXBXQYUGFIITR-ZGIBFIJWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCc4ccccc4C3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLOMPKUONGHWLJ-ZWEKWIFMSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCc4ccsc4C3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYAEZSYPWDPOF-ZWEKWIFMSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCc4sccc4C3)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBYIQMZAYZFOH-KJYTXNCISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCc4ccccc43)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATHNFGLFZTUAE-GWEUVEQMSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3c4ccccc4CC3C)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNXZLXLHBKMNQX-WIIGKZCBSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCc4cc(C)ccc43)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHXQOJGEDPYNKI-WIIGKZCBSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCc4cc(OC)ccc43)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJFTNAICZEDCK-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCc4cccnc43)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQJUDBVLMAVLBV-WIIGKZCBSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCCc4ccccc43)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUSRRGSRHPHCPS-VSBHHGPVSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3c4ccccc4CCC3C)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJCAKVJGNAPFP-GNSPLJBXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCCc4cc(C)ccc43)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCWNEOIFXFCAY-HNPKZYAISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCOc4ccccc43)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQJUYKNXGRHQU-DKRHUIDYSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCSc4ccccc43)cc2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMKCMEYHJVCXGK-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCC3)cc2F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLDENUTELIXMK-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCC3)c(F)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVLRAHPECPEXTN-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCC3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKRVRLSRVPOKU-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCC3)c(C)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXMQVJQMDEBJT-SKBVVQJISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCC3)cc2OC)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZOWCBOWWRKVOW-SKBVVQJISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCC3)c(OC)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STYSWSFQDOAVHD-ZWEKWIFMSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2cc(C)c(C3=CCCC3)c(C)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIASYMQYYMEUJN-OYUWMTPXSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2c(C)cc(C3=CCCC3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUZNAQCQCGQCEP-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCC3)cc2Cl)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPWGSLSIIGJVOY-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCC3)c(Cl)c2)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCFWTLAGKAFTBE-JIMJEQGWSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2cc(F)c(C3=CCCC3)cc2C)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTOVWUFQQKCII-SGIRGMQISA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(C3=CCCC3)c(F)c2F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRHANNPLVBOPRL-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2c(F)cc(C3=CCCC3)cc2F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXBFFCKQLVHFR-ISJGIBHGSA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2cc(F)c(C3=CCCC3)cc2F)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYGNTHCMDNBJTP-AQTBWJFISA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccc(OCCCc3ccccc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYIJROTFRPXTE-AQTBWJFISA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZJIEJNTWQZPBW-RGEXLXHISA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccc(OCCCCc3ccccc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDRQHMXXFRUYPB-AQTBWJFISA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2cccc(OCCCc3ccccc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYPMUMLPLVVIBU-AQTBWJFISA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2cccc(OCCCOc3ccccc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHPGDYXZVZUJCP-RGEXLXHISA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2cccc(OCCCCc3ccccc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIKKBADCCJGIEE-CYVLTUHYSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C/c2ccc(OCCCc3ccccc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMMJBPRRBVBQZ-CYVLTUHYSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPBAQDCXZWPWQZ-SILNSSARSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C/c2ccc(OCCCCc3ccccc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCRETCUIDDALK-CYVLTUHYSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C/c2cccc(OCCCc3ccccc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTGFRQKQTYXALV-CYVLTUHYSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccccc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVQLNNVZMUNCT-SILNSSARSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C/c2cccc(OCCCCc3ccccc3)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFAIBYAFJGQEG-JXAWBTAJSA-N", "SMILES:O=C(O)CCN1C(=O)/C(=C/c2ccc(OCCc3ccccc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIPOPMEIJDYIA-TXGZDIOSSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(C(C)=O)CC3)c3ccc(C)c(Cl)c3)CC2)cc1)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFGUYARFZZWLFF-RCUMFUNRSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(S(=O)(=O)NC2CC3CCC(C2)N3CCCN(C(=O)C2CCN(C(C)=O)CC2)c2ccc(C)c(Cl)c2)cc1)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBZHUGYNQMYFKH-IZEGPPFJSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRMWFQGTQCUDIL-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(C(=O)N(CCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c2ccc(C)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNHKUDZZFZSJB-XDZVQPMWSA-N", "SMILES:Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFIBVDBTCDTBRH-IDUWFGFVSA-N", "SMILES:CC(C)=CCC/C(C)=C\\CNCCNC1C2CC3CC(C2)CC1C3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1908377", "category": ["biolink:ChemicalEntity"], "name": "PYRVINIUM PAMOATE", "xref": ["InChIKey:OOPDAHSJBRZRPH-UHFFFAOYSA-L", "SMILES:Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)[O-])cc3ccccc23)c1O"], "synonym": ["Pyrvinium pamoate", "Pyrvinium pamoate", "Pyrvinium (as embonate)", "Pyrvinium embonate", "Pyrvinium pamoate", "NSC-223622", "Poquil", "Povan", "Vanquil", "Vanquin"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL5393782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJOQGFFOKBMFJO-QHCPKHFHSA-N", "SMILES:CCCCCCCCCCCOc1ccccc1CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJRWPPALOPUYTN-VWLOTQADSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDQEXACZARHTQ-NDEPHWFRSA-N", "SMILES:CC(C)(C)c1ccc(-c2cccc(COc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIGHQMOUQYMHQN-ZMBKIAOZSA-N", "SMILES:N[C@@H](COP(=O)(O)OC1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJWQYMEXZGTND-DYYZXQNHSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUGYYQYONNTYHO-VWLOTQADSA-N", "SMILES:CCCCCCOc1cccc(COc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWSIUJUBUKZIY-VWLOTQADSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1OCc1cccc(-c2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZAUZXTLVPOCB-MHZLTWQESA-N", "SMILES:Cc1cc(C)cc(-c2cccc(COc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQPHXUKSKNLAOZ-HKBQPEDESA-N", "SMILES:CC(C)(C)c1cc(-c2cccc(COc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c2)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INZQJNWLTKAVFW-FQEVSTJZSA-N", "SMILES:Cc1cccc(COc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYGSRQXLHIWOEP-SFHVURJKSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBTXJSUJAYPNS-SFHVURJKSA-N", "SMILES:Cc1ccccc1Oc1ccccc1CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEGQEIHBQPMKMF-IBGZPJMESA-N", "SMILES:Cc1cccc(Oc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNYLXVXKIBWGK-IBGZPJMESA-N", "SMILES:Cc1ccc(Oc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUNXDDALYGLTLR-FQEVSTJZSA-N", "SMILES:Cc1cc(C)cc(Oc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWPXZGSSFJNHSQ-IBGZPJMESA-N", "SMILES:CCc1ccccc1Oc1ccccc1CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAUJRLYYQYFCH-FQEVSTJZSA-N", "SMILES:CCc1ccc(Oc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDYYIVDIMNCHQ-NRFANRHFSA-N", "SMILES:CC(C)(C)c1cccc(Oc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYBIEBHXGMMAQ-NRFANRHFSA-N", "SMILES:CC(C)(C)c1ccc(Oc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAOCPLHAMAJPBQ-DEOSSOPVSA-N", "SMILES:CC(C)(C)c1cc(Oc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVWBQEGKFMPZJZ-IEQKDCSDSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1ccc(C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTICRFFJYPZPY-SFHVURJKSA-N", "SMILES:Nc1ccc(Oc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDKAQSWEDSDWIS-QHCPKHFHSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1ccccc1-c1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXJNGALOXJFLZ-DEOSSOPVSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1cccc(-c2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABXEXNBFIRCRF-PMERELPUSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDZQNDMNDPBJLH-SANMLTNESA-N", "SMILES:N[C@@H](COP(=O)(O)OCCOC(=O)CC(=O)CC(=O)Cc1ccccc1Oc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSGOJLTZPOYRFX-DEOSSOPVSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKDKTMZWCRUXIP-NDEPHWFRSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCCOC(=O)CC(=O)CC(=O)Cc1ccccc1Oc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAWNMZNVVFREOB-LJAQVGFWSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCCCOC(=O)CC(=O)CC(=O)Cc1ccccc1Oc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLPWFQNKSUJSET-VWLOTQADSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CC(=O)Cc1ccccc1Oc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWFMUDJIDGJQP-SANMLTNESA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCCOC(=O)CC(=O)Cc1ccccc1Oc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOTJGEORJHEDLJ-MHZLTWQESA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCCCOC(=O)CC(=O)Cc1ccccc1Oc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUKVIRFHZFEERG-DEOSSOPVSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCOC(=O)CC(=O)Cc1ccccc1Oc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBSKWPPIUCEFW-VWLOTQADSA-N", "SMILES:Cc1ccc(-c2ccc(Oc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKQEMFHEDJBIX-SANMLTNESA-N", "SMILES:CCc1ccccc1-c1ccc(Oc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FILFPYRLLAYZFP-SANMLTNESA-N", "SMILES:CCc1ccc(-c2ccc(Oc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQMALTYAPPWQM-PMERELPUSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1ccc(-c2ccccc2-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTCSBLFMSCUVDR-PMERELPUSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1ccc(-c2cccc(-c3ccccc3)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCOKOSOHPDJRV-BHVANESWSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWWOMJTHJATDJ-PMERELPUSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDIJAYDGODRHRO-MHZLTWQESA-N", "SMILES:CC(C)(C)c1cccc(-c2ccc(Oc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZLIFIZJVKJQE-MHZLTWQESA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc(Oc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNSKILICLAYTGT-IRPGZZLGSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1ccc(-c2ccc(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPBISATZBVZGT-DEOSSOPVSA-N", "SMILES:N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1Oc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(=O)O"]}
{"name": "Putative P2Y purinoceptor 10", "xref": ["CHEMBL.TARGET:CHEMBL3562166"], "id": "UniProtKB:O00398", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXCHUBHNNMCEIA-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)CSc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBBQJCGWBAENSK-UHFFFAOYSA-N", "SMILES:CCOc1cccc(CNC(=O)CSc2cn(C(=O)OC(C)(C)C)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBZWISIKYEVNJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFHVOJVNTAGSPY-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)CSc2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFYVCHMRAJZMLR-UHFFFAOYSA-N", "SMILES:O=C(CSc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTDWNUJBPWLKN-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2ccc3cccc(OCC(=O)NCc4ccccc4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUOSOLLSZIGEML-NRFANRHFSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc3cccc(OCC(=O)NCc4ccccc4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUOSOLLSZIGEML-OAQYLSRUSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc3cccc(OCC(=O)NCc4ccccc4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2016761", "category": ["biolink:ChemicalEntity"], "name": "RDV-TP", "xref": ["InChIKey:DFVPCNAMNAPBCX-LTGWCKQJSA-N", "SMILES:N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"], "synonym": ["Rdv-tp"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFPJGNSAPBZHO-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)C(Cc1ccccc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBCYSMSVSKTDOG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Cc1ccc(Cl)cc1)C(=O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHUITGUNRHOVRJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Cc1cccc(Cl)c1)C(=O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGGVWVXEXANPF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Cc1ccccc1Cl)C(=O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXQUHPCLOQQGL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSJDJNURNAXWOC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Cc1cccc(F)c1)C(=O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZTSHSCBILISGQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXMMLMMTYHZKI-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(C(=O)c2ccc(Cl)cc2)C(=O)c2cc(F)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYFFDDNHGRLDB-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(C(=O)c2ccc(Cl)cc2)C(=O)c2cc(F)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWTPQEHBAHLBFZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Cc1ccsc1)C(=O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCSUBILCKPSQX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Cc1ccc(Cl)nc1)C(=O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZXWMQQSSBUTG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Cc1cc2ccccc2cn1)C(=O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APXOJYGEUZDSKY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPWKVDHPFJFAAJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)C(Nc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCONAXZHRGVLGQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C(Nc2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQJDSHDGMQOLCA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOBHKQQIZHUBNV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C(Nc2ccc(C)cc2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKRNJZVCZMYDOU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)C(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGIZFTJOQNQBBZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Br)cc1)C(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMFAUCTJUJUJF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYTNJIWVMBTQAM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1ccc(Cl)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTTWXGWQNBOSI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1ccc(Cl)cc1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGQBLYXXQZCPS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWORCFMDMYIFMQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1ccc(Cl)cc1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAOVTRXMAZMBQP-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc(NC(C(=O)c2ccc(Cl)cc2)c2ccc(F)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMMMTSXRCODCEK-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc(NC(C(=O)c2ccc(F)cc2)c2ccc(F)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDYVLEPJDMTFOY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1ccc(F)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRHOPWJTDHZBU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1cccc(Cl)c1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLIGNHXSLVRATC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBEDERALNDFTCL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1cccc(Cl)c1F)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGEKTCWUGQWVPD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKQGCLSMOMMBFX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTYBOOSILQXQQT-OUKQBFOZSA-N", "SMILES:COC(=O)/C=C/C(=O)N(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQISSLWFXJWBAV-UHFFFAOYSA-N", "SMILES:COC(=O)CCC(=O)N(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXDQMPONCTWAM-UHFFFAOYSA-N", "SMILES:COC(=O)CCCC(=O)N(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJIIXLYZLDHBJU-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCC(=O)N(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRURZQTWWTXMD-VAWYXSNFSA-N", "SMILES:O=C(O)/C=C/C(=O)N(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKVMZIXWFMBWRS-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)N(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBRBJRJBWGGVFR-UHFFFAOYSA-N", "SMILES:O=C(O)CCCC(=O)N(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBAAHYGGTRZFDU-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCC(=O)N(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKULEFQVZKNARA-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOHYGLVYDHZUJK-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)CCC(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCOGAYWUUOMMOT-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)CCC(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUGFYXYOVBERIH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)CCC(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHYYRUGADOQDEY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(c1ccc(F)cc1Cl)N(C(=O)CCC(=O)N1CCN(CCO)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJTVUWRKXUZRDZ-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)N(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPSXZQBUYPFCW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLUTPKUGFNVJI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)C(c1ccc(F)cc1Cl)N(C(=O)CCC(=O)N1CCNCC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRMHOUDRPTEIJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)CCC(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJBUJQMVNWIIV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(C(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DILNOVPXGAIPHO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVFSRLVHTBFDKJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccc(Br)o5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2347906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXXJUGPFJHOGND-UHFFFAOYSA-N", "SMILES:CCCN1CCC(c2nc3c(C(N)=O)cncc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4458889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFZXKJNCDQJJDD-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2nc3cncc4c3n2CCNC4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCTAAJCXDYTRHC-UHFFFAOYSA-N", "SMILES:CCCN1CCC(c2nc3cncc4c3n2CCNC4=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPIMAZZKTLCEPA-UHFFFAOYSA-N", "SMILES:Cc1sc2nc(SCC(=O)N3CCN(CCO)CC3)[nH]c(=O)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJFAWHHRLUODQT-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCC3)N(CCO)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHVBKZCNNABZHY-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CC(=O)c3cc(C)c(C)cc3O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAOKTBQUESYAHD-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCC1)c1cc(Cc2n[nH]c(=O)c3cccnc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNBCAOALXLUQK-UHFFFAOYSA-N", "SMILES:Cc1cc(O)nn1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQIOQHHMRDIBKU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSRLSJKFRZNAS-UHFFFAOYSA-N", "SMILES:CC1=C(NN)SC(NNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQCMWMDGCNKCW-UHFFFAOYSA-N", "SMILES:CC1=CSC(NNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXMBLTAIYGEPNC-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(C)N(C(=O)c2ccccc2)C(NNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HURUDDHPAQPMLK-UHFFFAOYSA-N", "SMILES:Oc1ccc(C2CNCc3c(O)cccc32)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1358885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVPVDOISXSALCI-CQSZACIVSA-O", "SMILES:C[N+]1(C)CCc2cc(O)c(O)cc2[C@H]1Cc1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5427942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSWKBFUVPSJDF-UHFFFAOYSA-O", "SMILES:C[N+]12CCc3cc(O)c(O)cc3C1Cc1cc3c(cc12)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXQHLTVKKGQQD-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCCc2ccc(O)cc2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRSWCUDEBIRWPO-LFVJCYFKSA-N", "SMILES:COc1cccc(/C=N/CCc2ccc(O)cc2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGACRKFGZFEGI-UHFFFAOYSA-N", "SMILES:C=CCN(CCc1ccc(O)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQMQJANJRSIXHP-UHFFFAOYSA-N", "SMILES:C#CCN(CCc1ccc(O)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSJTXWCZUKQGBY-UHFFFAOYSA-N", "SMILES:CCN(CCc1ccc(O)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPBKAYPMWDVXPV-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(O)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQZPZTDAWBWATG-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(CCN(CC=C)Cc2cccc(OC)c2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFYSNZQSCAABE-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(CCN(CC=C)Cc2cccc(OC)c2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDHFTLXREXGLIL-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(CCN(CC#C)Cc2cccc(OC)c2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKIXOLHCLNSBF-UHFFFAOYSA-N", "SMILES:C#CCN(CCc1ccc(OCC=C)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOSCMZVIITQBD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CCN(CC)Cc2cccc(OC)c2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDCCOTBOASCRAX-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCCc2ccccc2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZWEFHPBMKKNS-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNCc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRIYMHJIWROQO-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNCc2cccc(OC)c2OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHGBGABADQNLW-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBTIRZXPHGFAHL-UHFFFAOYSA-N", "SMILES:C=CCN(CCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULROVXUZNGIJND-UHFFFAOYSA-N", "SMILES:C#CCN(CCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVCGNUNGSYWQD-UHFFFAOYSA-N", "SMILES:C=CCN(CCc1ccccc1OC)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADONLMVQJZDML-UHFFFAOYSA-N", "SMILES:C=CCN(CCc1cccc(OC)c1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOVLEMBWXGRFGR-UHFFFAOYSA-N", "SMILES:C=CCN(CCc1ccc(OC)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCTKZCLZAQHMIR-UHFFFAOYSA-N", "SMILES:C#CCN(CCc1ccc(OC)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBTVCUCOTWWFK-UHFFFAOYSA-N", "SMILES:CCN(CCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HENPCYMBYQIFRE-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCPIKFBHJPQIU-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCN(C)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVAKATVCRTSIH-UHFFFAOYSA-N", "SMILES:CCN(CCc1ccccc1OC)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHIKDUDURLDAG-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccccc1OC)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGAXVQAIHBBQR-UHFFFAOYSA-N", "SMILES:CCN(CCc1cccc(OC)c1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRZLMLZWCBJKMY-UHFFFAOYSA-N", "SMILES:CCCN(CCc1cccc(OC)c1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFSFLYHVDWKMD-UHFFFAOYSA-N", "SMILES:COc1ccc(CCN(C)Cc2cccc(OC)c2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHRGBSWSWQOVKU-UHFFFAOYSA-N", "SMILES:CCN(CCc1ccc(OC)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSGFJABOBVDNRK-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(OC)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTKXFFSISLDQRE-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCc2ccccc2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWVSYCYAGKNWCO-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCCCc2ccccc2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSOGCYXOBFCDPM-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCCCCc2ccccc2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOEWFGQADFZDJZ-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCC(C)c2ccccc2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXYHCNRRFTCMW-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(C)CCc2ccccc2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVXMEHXVFJELMR-UHFFFAOYSA-N", "SMILES:C=CCN(CCCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEGWCBWZQDATKS-UHFFFAOYSA-N", "SMILES:C#CCN(CCCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OELVLYQHNFSXET-UHFFFAOYSA-N", "SMILES:COc1cccc(CN(C)CCCc2ccccc2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUHOKMTPNASJY-UHFFFAOYSA-N", "SMILES:CCN(CCCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDJMOTDYLQBOAX-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVPURIRKCPFONU-UHFFFAOYSA-N", "SMILES:C=CCCN(CCCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYZRZGDNPYMLJD-UHFFFAOYSA-N", "SMILES:CCCCCCN(CCCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEUKRSOBAQBIJF-UHFFFAOYSA-N", "SMILES:CCCCCCN(CCCCc1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZDXSCWGPYJPH-UHFFFAOYSA-N", "SMILES:COc1cccc(CN(CCCCc2ccccc2)CCCC(C)C)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERPAGDNNWMAJR-LFIBNONCSA-N", "SMILES:CCCN(C/C=C/c1ccccc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQSASZSZALQMLC-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1ccccc1O)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVZNCFBRSAZAHZ-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1cccc(O)c1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYFCNQBDMCUCG-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1ccc(O)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUOPRJWZFHQVKM-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1ccccc1F)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZOIYQAEEQKJSB-UHFFFAOYSA-N", "SMILES:COc1cccc(CN(CCCc2ccccc2F)C2CCC2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWXJXBXCQTTSJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CN(CCCc2ccccc2F)C2CCCC2)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVWOHBJJSZMHOP-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1cccc(F)c1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGPSDXQNKBDNJ-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1ccc(F)cc1)Cc1cccc(OC)c1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQRGHUIBBGUCH-UHFFFAOYSA-N", "SMILES:CN(CCc1ccc(O)cc1)Cc1cc2c(cc1-c1cccc3c1N(C)CC3)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSLQRYJSGRPVQT-UHFFFAOYSA-N", "SMILES:COc1cc(CN(C)CCc2ccc(O)cc2)c(-c2cccc3c2N(C)CC3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCGFZKDBAPWLN-POPBCCOBSA-N", "SMILES:C[C@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C)N1C(=O)C2CCCCC2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCGFZKDBAPWLN-GWZPRJOFSA-N", "SMILES:C[C@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C)N1C(=O)C2CCCCC2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCGFZKDBAPWLN-XOIICEKCSA-N", "SMILES:C[C@@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C)N1C(=O)C2CCCCC2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYREBXPZWEONB-UHFFFAOYSA-N", "SMILES:CC1CC(Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRNSONCDOQUVBM-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccc2ccccc2c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPEIHTIGYRZCMY-VMPITWQZSA-N", "SMILES:Cc1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCGFZKDBAPWLN-UHFFFAOYSA-N", "SMILES:CC(C(=O)N1c2ccccc2C(Nc2ccccc2)CC1C)N1C(=O)C2CCCCC2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWKEENIZXXJPN-UHFFFAOYSA-N", "SMILES:CCCC(=O)N1c2ccccc2C(N(C(=O)c2ccccc2)c2ccc(F)cc2)CC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXNFJURQXUTTN-LRUGRNCASA-N", "SMILES:CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHEXVYFGQSOYBR-SRCHPAMYSA-N", "SMILES:Cc1cc(/C=C2\\S/C(=N\\c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1897231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRMMLRQFVGCFES-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C)cc(Nc3ccccc3OC)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4912763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNTUQTXJUJKPJK-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHURFRYBXSVATB-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN1CCCC(c2[nH]ccc2C(N)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSPLSHISPIUQQ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)Nc3cccnc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZQCSKJZVYWHH-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFZILSUPYMNSAE-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVCEHRSAWPOEW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKYZIZADCYQEMU-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPPJZBFCGWJHP-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHOVXXGLXHIRF-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN(C(=O)c3ccco3)CC2)ncc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGLIAPGKMMXIR-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)CN1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLHUGJXGOVKLV-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN(C3CCCCC3)CC2)ncc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIYVGZNZZUXNFH-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCSCC2)ncc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4986224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGPPGYAISQMNY-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4915881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYRQQNLQYKVPPV-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCC3(CC2)OCCO3)ncc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOQXRDEFPIYDU-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4964870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNMWZSVNQEZQN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXXPHNKTDDFMH-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCc3ccccc3C2)ncc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEWZERFRUDPVFA-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCCC2)ncc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOMUYFHIISRNCK-UHFFFAOYSA-N", "SMILES:CCCCN(C)c1ncc(C(=O)Nc2ccccc2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHAYXFWZTCCUQE-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)Nc3cccc4ccccc34)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYYQFBKGFDCGQ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)Nc3ccc4ccccc4c3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJSQHEPPWJMJSH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNNBWDUZJTVVPA-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cnc(N3CCC(C)(N)CC3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSSVDRTLIMJOG-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cnc(N3CCC(C)(N)CC3)nc2N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKFZHHDLMJRVDQ-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1NC(=O)c1cnc(N2CCC(C)(N)CC2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URXIHIMLSIMBST-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYZXZGLPBGUGD-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)Nc3ccc(F)cc3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNDVBILTLIWWJG-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJSURZAQRYDJW-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDRYNGYBHRBCC-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)NCc3ccccn3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSXAHVNEHAXQHP-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(C(=O)Nc3ccccn3)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVQHZORAUGAARX-MRXNPFEDSA-N", "SMILES:COC1([C@H](NC(=O)c2ccc(C#CC#CCCO)cc2)C(=O)NO)CS(=O)(=O)C1"]}
{"name": "UDP-3-O-acyl-N-acetylglucosamine deacetylase", "xref": ["CHEMBL.TARGET:CHEMBL2163170"], "id": "UniProtKB:B5ATN6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:287"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3939284", "category": ["biolink:ChemicalEntity"], "name": "ACHN-975", "xref": ["InChIKey:GOCUUDXEOKIQRU-IXDOHACOSA-N", "SMILES:CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#C[C@@H]2C[C@H]2CO)cc1)C(=O)NO"], "synonym": ["Achn-975", "ACHN-975"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUXFECRANSRQNT-MRXNPFEDSA-N", "SMILES:CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#CC2CC2)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDQOWMVSKWGAT-LSDHHAIUSA-N", "SMILES:CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#C[C@H](O)CO)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGDQOWMVSKWGAT-HUUCEWRRSA-N", "SMILES:CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#C[C@@H](O)CO)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQLOHCHGMQBNF-UHFFFAOYSA-N", "SMILES:O=C(NO)C1(COc2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3103548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLPDUZTERUWMZ-PKTZIBPZSA-N", "SMILES:O=C(NO)[C@H](CO)O[C@H](CO)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPZXREQMAXNJIC-HBJVGIJOSA-N", "SMILES:CCCCCC(=O)O[C@@H]1[C@@H](CP(C)(=O)O)CO[C@H](CO)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWVXLUWDQKJYFE-DNGUZGGPSA-N", "SMILES:O=c1ccn([C@@H]2O[C@H](CO/N=C/c3ccc(O)c(O)c3O)[C@@H](O)[C@H]2O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKZMVAMNDOPRJ-LZZZDQIESA-N", "SMILES:O=C(CO/N=C/c1ccc(O)c(O)c1O)NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCRPXZJAQKOSRZ-UHFFFAOYSA-N", "SMILES:CC1(CC(=O)N2CCC(c3ccc(C#Cc4ccccc4)cc3)CC2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYOELCLVZLKCJ-UHFFFAOYSA-N", "SMILES:CC1(CC(=O)N2CCN(c3ccc(C#Cc4ccccc4)cc3)CC2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOZGVVCPYIPRFL-UHFFFAOYSA-N", "SMILES:CCC1(CC(=O)N2CCC(c3ccc(C#Cc4ccccc4)cc3)CC2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL136392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNDRSNLASLHBW-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NOC(P(=O)(O)O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULUMLQUYYSBOR-KEIZBESESA-N", "SMILES:C[C@H](O)c1nccn1Cc1cc(-c2ccc(C#C[C@@H]3[C@H]4CN(CCCC(=O)O)C[C@@H]34)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWVPHOUVSKYIGL-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ccccc2)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRHPXINWHDFVQT-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQUSWISCKAODEN-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCNC(=O)c3n[nH]c4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFUHLGWYZKBMBY-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ccccn2)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKPCUCUPPJNIY-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2cccnc2)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLOZIRNJAUGHY-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ncccn2)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLGXHKHIKDCOIA-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBHIUPHTRPIHX-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2cccc(F)c2)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBLFSOZINOQZBU-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ccc(F)cc2)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHIVDYNEPGPRDS-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ccccc2C(F)(F)F)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYIHMZFXYKMQJJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPWVHCOBDDZMU-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDJQUNDXVDPCR-UHFFFAOYSA-N", "SMILES:CSc1ccccc1N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXWALGMIUORAAM-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMIMXALAIBPPTQ-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGNXLLKMCJHMU-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCCNC(=O)c3n[nH]c4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOASNKXEMYJBEP-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(C2CCCCC2)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWZZVUBVVGUSPI-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ccncc2)CC1)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL101740", "category": ["biolink:ChemicalEntity"], "name": "CIDOXEPIN", "xref": ["InChIKey:ODQWQRRAPPTVAG-BOPFTXTBSA-N", "SMILES:CN(C)CC/C=C1/c2ccccc2COc2ccccc21"], "synonym": ["Cidoxepin", "Cidoxepine", "Cidoxepina", "Doxepin trans-form hydrochloride", "Doxepin trans-form hydrochloride", "Doxepin, (z)-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5421856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQRKACJGKAGLP-YVLHZVERSA-N", "SMILES:O=C1Nc2ccc(C(=O)c3cc(F)cc(F)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIRODFQWDXPSFR-WQRHYEAKSA-N", "SMILES:O=C1Nc2ccc(Cc3cc(F)cc(F)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVCQXEJBJJGAJK-MFOYZWKCSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCIPGHVPFHVFM-ZDLGFXPLSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMGHXFENBXZKE-NVMNQCDNSA-N", "SMILES:O=C1Nc2ccc(OCc3cc(F)cc(F)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYCCSMYQSPZHCH-PDGQHHTCSA-N", "SMILES:O=C1Nc2ccc(NCc3ccccc3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJTUPQWXVRWNRO-WQRHYEAKSA-N", "SMILES:O=C1Nc2ccc(NCc3cccc(F)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZROIPGWBBWVNK-WQRHYEAKSA-N", "SMILES:O=C1Nc2ccc(NCc3cccc(Cl)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABALHWIFMABNIM-WQRHYEAKSA-N", "SMILES:O=C1Nc2ccc(NCc3cccc(Br)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUJIXSVULZFYHQ-BOPFTXTBSA-N", "SMILES:O=C1Nc2ccc(NCc3ccccc3F)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKZYONWSQJFPIG-WQRHYEAKSA-N", "SMILES:O=C1Nc2ccc(NCc3ccc(F)cc3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEPIQNBQIFJTMO-YBEGLDIGSA-N", "SMILES:O=C1Nc2ccc(NCc3ccc(F)c(F)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUBCUTASNVXHGL-YVLHZVERSA-N", "SMILES:O=C1Nc2ccc(NCc3ccc(F)cc3F)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZULEPZKILGFNE-YVLHZVERSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)ccc3F)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDZBOGVYEIYZFK-YBEGLDIGSA-N", "SMILES:O=C1Nc2ccc(NCc3cccc(F)c3F)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYURNQNXGMEZCR-GDNBJRDFSA-N", "SMILES:O=C1Nc2ccc(NCc3c(F)cccc3F)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPLDUXKHRPCKJV-SXGWCWSVSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)cc(F)c3F)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPWIHEYFKTWAIQ-QPEQYQDCSA-N", "SMILES:O=C1Nc2ccc(NCc3c(F)c(F)cc(F)c3F)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDPLUNNEVGKGA-ZDLGFXPLSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)cc(Cl)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYFUGSZPSPPAPH-ZDLGFXPLSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)cc(Br)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWMJGMLLCZWCLH-ODLFYWEKSA-N", "SMILES:Cc1cc(F)cc(CNc2ccc3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYNZJLNIMAHMM-ZDLGFXPLSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)cc(C(F)(F)F)c3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIBZVZNQAZPXFB-ODLFYWEKSA-N", "SMILES:COc1cc(F)cc(CNc2ccc3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNOBABJFGDWGX-YVLHZVERSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)ccc3Cl)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJQJMMPHLGWUTJ-YVLHZVERSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)ccc3Br)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYEFIXIKLVTECL-ODLFYWEKSA-N", "SMILES:Cc1ccc(F)cc1CNc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCCKYIGQSSQKP-YVLHZVERSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)ccc3C(F)(F)F)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWAXJLWLJHTPV-WQRHYEAKSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIEWUDZQVUOUQE-ZDLGFXPLSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2/C1=C/c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJGGDVHNEWJRNL-IDUWFGFVSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2/C1=C/c1cncs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXMTGLPFIGPCK-GRSHGNNSSA-N", "SMILES:Cc1cc(C)c(/C=C2\\C(=O)Nc3ccc(NCc4cc(F)cc(F)c4)cc32)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVJVUANMJAFTAZ-MFOYZWKCSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2/C1=C/c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJKJRHCPSRGVLC-IDUWFGFVSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRHXSWJINOISDM-SXGWCWSVSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2/C1=C/c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUKHMMQCXGMHL-IUXPMGMMSA-N", "SMILES:Cc1nc[nH]c1/C=C1\\C(=O)Nc2ccc(NCc3cc(F)cc(F)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJVWMAWMQNCEM-APSNUPSMSA-N", "SMILES:O=C1Nc2ccc(NCc3cc(F)ccc3F)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFJFWHLJJYXII-IUXPMGMMSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2037226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDUWLSETXNJJT-MTJSOVHGSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Nc1ccc2c(c1)NC(=O)/C2=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHTKCPNTIPXDDE-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccccc1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICDAAXKLHGTKM-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(F)cc1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMCOEZSUHBOPCD-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(Cl)cc1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRMZEMCBNNQZLW-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccccc1Br)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSNKHJAXSGCUCQ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(Br)cc1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVZMYNYQZXKSKC-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccccc1O)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTAITOAHXONFJ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1cccc(O)c1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORPGTGNAJHWCZ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccccc1C#N)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXDQPAPDYNGFQI-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccccc1C(F)(F)F)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMOBYJSLJRIMZ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccccc1C)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPMMBQJMQQEOB-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(C)cc1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBQWTYKMDHFEP-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccccc1CC)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUZQGWZVAEYAO-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccccc1OC)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUHIUQONFMOCM-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(OC)cc1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFAIZMGHCSJKW-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYAFXJONAPKFCV-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(C(=O)O)cc1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQJAXGJMXUMJC-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccccc1C(C)=O)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUQPGLVTIVRTDY-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1cc(C)cc(C)c1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYDBJLDDUKNJJI-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1cc(C)ccc1C)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOMKMYSERUHMOO-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1c(C)cccc1C)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNTRQSRSBVJTIH-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1cccc(Cl)c1Cl)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCIGFZJQSFSGN-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1nncs1)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKZMCCULVJECN-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2[nH]nc(-c3ccc(OC)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APIFUYIAGVGPMS-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc(OC)c(OC)c3)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAHUSWADWZNMFA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nc(-n2ccc(C(=O)Nc3c(C)cccc3C)c2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYYHTAOXIHLPZ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(-n2ccc(C(=O)Nc3c(C)cccc3C)c2)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLPOTWSNXDLGU-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1ccn(-c2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBAOPRZAFQLIRG-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1ccn(-c2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)nc3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNJVRIHEMHKAU-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1N1CCn2cc(-c3nc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4OC)nc4[nH]ncc34)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJAXRIIGTDDAGE-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1N1CCn2cc(-c3nc(Nc4ccc(N5CCOCC5)cc4OC)nc4[nH]ncc34)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XURJJDYPIRLORX-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc(OC)c(OC)c3)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGFOBIUZDRPRJK-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc(OC)c(OC)c3)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPBFELSGWQLLJP-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc(OC)c(OC)c3)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZAIPAXAPLODDT-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1nc(OC2CCCCC2)c2c(-c3ccc(OC)c(OC)c3)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKRQXUJWXRQMH-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1nc(OC2CC2)c2c(-c3ccc(OC)c(OC)c3)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZHHSQARHSJSF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2n[nH]c3nc(Nc4ccc(N5CCC(N(C)C)CC5)cc4OC)nc(OC4CCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRUIWRAADDEGOI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCCCC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc(OC)c(OC)c3)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUENHVHIIOPLRI-LOSJGSFVSA-N", "SMILES:CCCSc1nc(Oc2cc(CN[C@@H]3C[C@H]3c3ccccc3)ccc2OC)c2nnn(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFZRIKHCGSYSGB-IZZNHLLZSA-N", "SMILES:CCCSc1nc(Oc2ccc(CN[C@@H]3C[C@H]3c3ccccc3)cc2)c2nnn(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKDIKPZCCRIPSZ-BJKOFHAPSA-N", "SMILES:CCCSc1nc(Oc2cccc(CN[C@@H]3C[C@H]3c3ccccc3)c2Cl)c2nnn(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDVYZWBVEHJUBC-BJKOFHAPSA-N", "SMILES:CCCSc1nc(Oc2cccc(CN[C@@H]3C[C@H]3c3ccccc3)c2Br)c2nnn(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEXJOWCNERPTIL-AZGAKELHSA-N", "SMILES:CCCSc1nc(Oc2ccc(CN[C@@H]3C[C@H]3c3ccccc3)c(F)c2)c2nnn(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQVLPLVIIBIFTG-RRPNLBNLSA-N", "SMILES:CCCSc1nc(Oc2ccc(CN[C@@H]3C[C@H]3c3ccccc3)c(C)c2)c2nnn(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLOCPLWCCUGBR-IZZNHLLZSA-N", "SMILES:CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)c(C)c2OC)c2nnn(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBLBNRBLDPEJS-IZZNHLLZSA-N", "SMILES:CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(CCc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJRZLVXRQXZQD-RRPNLBNLSA-N", "SMILES:CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(CCCc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTPVAJXOALUVNI-LOSJGSFVSA-N", "SMILES:CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(Cc3cccc(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEOZCYDCZHEOTH-LOSJGSFVSA-N", "SMILES:CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(Cc3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYDNYYBNDOMGF-UKILVPOCSA-N", "SMILES:CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(Cc3ccccc3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULFQQHAXEVOHHA-XZOQPEGZSA-N", "SMILES:CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(C3CCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVHQNVVWXKJIP-LEWJYISDSA-N", "SMILES:CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEABGGBESVUCB-LOSJGSFVSA-N", "SMILES:C#CCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGXXJVBLCZSOL-WIOPSUGQSA-N", "SMILES:CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)cc2OC)c2nnn(Cc3cccc(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPWCTMNSWOZKIA-JKSUJKDBSA-N", "SMILES:COc1cc(CN[C@@H]2C[C@H]2c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSEYUBHGRYYOGZ-UHFFFAOYSA-N", "SMILES:CC(NC1=C(Cl)C(=O)c2cccnc2C1=O)c1cn(-c2ccc(CO)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQRLHYONIXGPET-JLHYYAGUSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)NCCc1cn(Cc2cccc(Br)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFXAPDSYQCJNI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZFEPGIAFOGFW-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1cccc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHSCATRTCNDAOF-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBZXDQKFUEISZ-UHFFFAOYSA-N", "SMILES:CC(C(=O)O)c1cccc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPVSBHXNHWMUQN-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3-c3ccc4c(c3)CCO4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJORLGXFPZUAT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)cc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNLABZCOWZSNI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMGOCKWPMPQGJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVBSZRLGHLRYCB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNCDZASKWUZSRM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLIHUCZNWEXGG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWYCAJMWGLPKFM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVMQDKAADOZMFO-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3OCC3CCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILFWIPWRPDLECC-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3OC3CCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDOZVCQGWWOYIL-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3OCC3CCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFIMSZIJLAWANP-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3OCC3CCCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFUPWNAMYUXBV-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3OCc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXBCQYHHAONBDZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(Cl)c2-c2ccc3c(c2)OCO3)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPQJPYPDLSCLCJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(Cl)c2-c2ccc3occc3c2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLMAOHGYQHEAFW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(Cl)c2-c2ccc3nonc3c2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXXTTWXYZDOYDR-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3-c3ccc4c(c3)OCO4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPMRTEMWWFFVHZ-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3-c3ccc4occc4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWAYOCRMOYADAU-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3-c3ccc4nonc4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDFAQNWQENOSCK-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3-c3ccc4[nH]ncc4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLSLMNIKNGMSN-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCc2ccc(-c3cccc(Cl)c3-c3ccc4ocnc4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAIGWPDPBJNCKY-UHFFFAOYSA-N", "SMILES:O=C(O)c1c[nH]c2ccc(-c3cccc(Cl)c3-c3ccc4c(c3)CCO4)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXLPVXDGKOCMOE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(Cl)c2-c2ccc3c(c2)CCO3)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWHDFPOLVZLIQO-UHFFFAOYSA-N", "SMILES:CC1(COc2c(Cl)cccc2-c2ccc3c(c2)C(C(=O)O)CC3)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPPEGVRWQPFID-XSLAGTTESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAECQFMMXMOKGS-QAETUUGQSA-N", "SMILES:CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOOZDRZESQAIJW-ATIWLJMLSA-N", "SMILES:CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)C[C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGCVQUCOPISOA-ATIWLJMLSA-N", "SMILES:CO[C@H]1C[C@@H](C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWGCVQUCOPISOA-JCECYMMASA-N", "SMILES:CO[C@@H]1C[C@@H](C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSXXVUXAHDLVTH-HVTWWXFQSA-N", "SMILES:CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](OC(C)(C)C)C[C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSXXVUXAHDLVTH-KNJMJIDISA-N", "SMILES:CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(C)(C)C)C[C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPOYLPOECCAHB-RABCQHRBSA-N", "SMILES:CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOVZKJOXUQZXQW-XSLAGTTESA-N", "SMILES:CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOUXGXBQKDLEFW-WNBKYALVSA-N", "SMILES:CC(OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEQSWNWRNIQWLG-BQYQJAHWSA-N", "SMILES:Cc1cc(C)c(C(=O)/C=C/c2nc(C)c(C)nc2C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKHDZLVRTYZCIM-UHFFFAOYSA-N", "SMILES:OC(CNCCC(c1ccccc1)c1ccccc1)CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPKSQSAVXXZEF-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2ccc(F)cc2)N2CCN(c3cnccn3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFJSRNCWMTEHF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(c2ccccc2O)N2CCN(c3cnccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSLYUFAHRVRLKU-UHFFFAOYSA-N", "SMILES:O=C1C(O)=c2c(c3ccc(=O)c4c(O)ccc2c4-3)-c2cccc(O)c21"], "chembl_natural_product": true}
{"name": "Hyaluronan-binding protein 2", "synonym": ["Factor VII-activating protease"], "xref": ["CHEMBL.TARGET:CHEMBL5465370"], "id": "UniProtKB:Q14520", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKPXHUIXQANFLF-VIFPVBQESA-N", "SMILES:CC1=N[C@H](C(=O)O)Cc2c[nH]c3c(O)ccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJBKVAHPJIDJLB-QPJJXVBHSA-N", "SMILES:COc1cc(O)c(Cl)cc1/C=C/C(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFORSNOOCBHAA-QPJJXVBHSA-N", "SMILES:COc1cc(O)c(Br)cc1/C=C/C(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJALPJGAJNJRIW-VMPITWQZSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cc(Cl)c(O)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAJUJYISZRMKBT-RMKNXTFCSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(O)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOEDWZGLSMWFEU-RMKNXTFCSA-N", "SMILES:CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(O)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKWSAGQQVUQIQU-JXMROGBWSA-N", "SMILES:CCCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(O)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1778899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZJREZZAJGJQIN-VMPITWQZSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cc(Br)c(O)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLMLWQYBRKYBA-RMKNXTFCSA-N", "SMILES:CCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYHDKWLMHQFITP-RMKNXTFCSA-N", "SMILES:CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMBFPRVEHVXVSY-QPJJXVBHSA-N", "SMILES:COc1cc(O)c(Cl)cc1/C=C/C(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRVPTLMMSSVNX-QPJJXVBHSA-N", "SMILES:COc1cc(O)c(Cl)cc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZOKDZOOZPTTHS-VMPITWQZSA-N", "SMILES:COc1cc(OC)c(/C=C/C(=O)c2ccc(O)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWEDRZZPVYBXLT-AATRIKPKSA-N", "SMILES:COc1cc(O)c(Cl)cc1/C=C/C(=O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHNUNOGANIZCOM-ONEGZZNKSA-N", "SMILES:COc1cc(O)c(Cl)cc1/C=C/C(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZFSHZKIQEIQO-HWKANZROSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cc(Cl)c(O)cc2OC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKIUHVHDBFRAA-SNAWJCMRSA-N", "SMILES:COc1cc(C(=O)/C=C/c2cc(Cl)c(O)cc2OC)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMKCOJPQDVJHI-GQCTYLIASA-N", "SMILES:COc1cc(O)c(Cl)cc1/C=C/C(=O)c1ccc(O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTLIYMZLRFRFK-ONEGZZNKSA-N", "SMILES:COc1cc(O)c(Cl)cc1/C=C/C(=O)c1ccc(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQRKNLISUDWHED-UHFFFAOYSA-N", "SMILES:CC[n+]1c(/C=C/c2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)s2)sc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYIXXHLBKSPQG-UHFFFAOYSA-N", "SMILES:CC[n+]1c(/C=C/c2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)sc2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAISXCTVGVHXIK-RFYVJRHZSA-N", "SMILES:O=C(O)c1cc2c(c3nc4c(O)cccc4nc13)O[C@@H]1[C@H](O)c3nc4cccc(O)c4nc3C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIFTWCOJMYHBE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3cccc4c3OCC4)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGMZTABBCRAQKE-OAHLLOKOSA-N", "SMILES:COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3[C@@H](C)OC)n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISFJBCHVYJQBFS-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN(C)C3)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTPKAZPJAACIP-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3CCOCC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSAVXITUCOTQSN-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3CCCC=C3F)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKXIOPBSAEFRC-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3CCC(F)(F)CC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJGTUKMAJVCBIS-FYTHAERESA-N", "SMILES:[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Sc2nnc(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)c(C)c3)n2-c2cccnc2)C1([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVOYEIBMSJSDS-UHFFFAOYSA-N", "SMILES:COCCSc1nnc(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)c(C)c2)n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUIQSHMOOUVCRD-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KANSWVHESNLPHW-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3CCCCC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDIRLYNFIQISHN-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOMNATYRKNEEF-UHFFFAOYSA-N", "SMILES:CCC(=O)NCC#Cc1ccc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHKWWVGFMMYWHD-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCNC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUFJPRMYGJDHBZ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCNC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGOSNKFSABKICK-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCNS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLSEGSBQLBLSE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCNS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORXVYFUTEAZLIN-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHPLSLUWPISLOE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZFRXVDFWSICKZ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)NCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUNBXUQWNCTNG-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)NC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVLEQMPWZEMCZ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2nnc(SC3C=CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNORBIJKJZRSDQ-UHFFFAOYSA-N", "SMILES:CN1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4C=CCCC4)n3-c3cccnc3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCFFJLDKVTSPF-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)OCC#Cc2cc(F)c(OCc3nnc(SC4C=CCCC4)n3-c3cccnc3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJRMQXDMKAJCA-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)OCC#Cc2c(F)cc(OCc3nnc(SC4C=CCCC4)n3-c3cccnc3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZVGAXDVXRQJKE-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)OCC#Cc2ccc(OCc3nnc(SC4C=CCCC4)n3-c3cccnc3)c(F)c2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVOGNLQAUBMVLW-OAGNVVAASA-N", "SMILES:[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Sc2nnc(COc3cc(F)c(C#CCOC(=O)NC4CCN(C)CC4)cc3F)n2-c2cccnc2)C1([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCFFJLDKVTSPF-DEOSSOPVSA-N", "SMILES:CN1CCC(NC(=O)OCC#Cc2cc(F)c(OCc3nnc(S[C@H]4C=CCCC4)n3-c3cccnc3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCFFJLDKVTSPF-XMMPIXPASA-N", "SMILES:CN1CCC(NC(=O)OCC#Cc2cc(F)c(OCc3nnc(S[C@@H]4C=CCCC4)n3-c3cccnc3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVOLEKHEMYRBO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGAEPAEOOTMIR-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2cc(C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJLLMSZJHWBHD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHMIJCNFUSTMT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2nc(C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261131", "category": ["biolink:ChemicalEntity"], "name": "DIACYLGLYCEROL KINASE INHIBITOR II", "xref": ["InChIKey:ZCNBZFRECRPCKU-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[nH]c(=S)n1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1416439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIUMXULORVBWLL-SPGDJUBISA-N", "SMILES:O=C1/C(=C/C=C/c2ccco2)SC(=S)N1NS(=O)(=O)c1ccccc1"]}
{"name": "Diacylglycerol kinase beta", "xref": ["CHEMBL.TARGET:CHEMBL4105755"], "id": "UniProtKB:Q9Y6T7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Diacylglycerol kinase gamma", "xref": ["CHEMBL.TARGET:CHEMBL1075157"], "id": "UniProtKB:P49619", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Diacylglycerol kinase kappa", "xref": ["CHEMBL.TARGET:CHEMBL5465316"], "id": "UniProtKB:Q5KSL6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Diacylglycerol kinase iota", "xref": ["CHEMBL.TARGET:CHEMBL5465280"], "id": "UniProtKB:O75912", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVJXLPANKSLLD-UHFFFAOYSA-N", "SMILES:Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFARYYOHBACYLM-CQSZACIVSA-N", "SMILES:CCN1CCC[C@@H](Nc2nc3nc(-c4c(C)cc(Cl)cc4O)ccc3o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFYXPXBECKPTA-CZUORRHYSA-N", "SMILES:Cc1cc(Cl)cc(O)c1-c1ccc2oc(N3CC[C@H]4CCN(C)C[C@H]43)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLNJOVDKCSBFJX-YDALLXLXSA-N", "SMILES:CCN1CCC[C@H](Nc2nc3nc(-c4c(C)cc(Cl)c(F)c4O)ccc3o2)C1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKOHOPIDWSTEP-GOEBONIOSA-N", "SMILES:Cc1cc(Cl)cc(O)c1-c1ccc2oc(N[C@H]3CCCN4CCC[C@H]34)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGMHRDJMDUDJS-HNNXBMFYSA-N", "SMILES:COC(=O)CCN1CCC[C@H](Nc2nc3nc(-c4c(C)cc(Cl)cc4O)ccc3o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFDJTTCYJWHIEZ-UQKRIMTDSA-N", "SMILES:CCN1CCC[C@H](Nc2nc3nc(-c4c(C)cc(Cl)cc4O)ccc3o2)C1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWAOYANYLTPBS-UHFFFAOYSA-N", "SMILES:Nc1nnc(CC[Se][Se]CCc2nnc(N)[se]2)[se]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHJUZCOVAAMBTD-UHFFFAOYSA-N", "SMILES:Nc1nnc(CC[Se][Se]CCc2nnc(N)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBPDOZAJFBMDH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(CC[Se][Se]CCn2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUSMTINPXLXYNU-UHFFFAOYSA-N", "SMILES:Cc1nn(CC[Se][Se]CCn2nc(C)c3ccccc32)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXELBFRJPDJJSU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(cnn2CC[Se][Se]CCn2ncc3cc([N+](=O)[O-])ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMZXETXDVAKDSY-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CC[Se][Se]CCN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJIAZJFQAYFRQW-UHFFFAOYSA-N", "SMILES:O=c1[nH]n(CC[Se][Se]CCn2[nH]c(=O)c3ccccc3c2=O)c(=O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLWXHLJGLMMPMM-UHFFFAOYSA-N", "SMILES:Cc1nn(CC[Se][Se]CCn2nc(C)c(Cl)c2C)c(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUOKBUDUBAHJU-UHFFFAOYSA-N", "SMILES:c1ccc(CC[Se][Se]CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMAGXRBNNNWFW-NEPJUHHUSA-N", "SMILES:Cc1cn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)nc1[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMAGXRBNNNWFW-RYUDHWBXSA-N", "SMILES:Cc1cn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)nc1[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFBFTGIRJTPFV-LBPRGKRZSA-N", "SMILES:Cc1cn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)nc1C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCDUTJJWLBOJAX-MNOVXSKESA-N", "SMILES:Cc1cn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)n[nH]c3Cl)cc2F)nc1[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCDUTJJWLBOJAX-QWRGUYRKSA-N", "SMILES:Cc1cn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)n[nH]c3Cl)cc2F)nc1[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEUBOSKPQOSHM-NSHDSACASA-N", "SMILES:Cc1cn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)n[nH]c3Cl)cc2F)nc1C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFKDADMCDDXJG-HGBJFFEJSA-N", "SMILES:CCOc1cc([C@]2(c3nncn3C)C[C@@H](C)C2)cc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEPKOBLDGLEGJN-JKCYLYBBSA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@H](Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHIWAMBAFXDJCL-HPORLSDASA-N", "SMILES:C[C@H](NC1(C)CCC1)c1cc(Cl)c2c(c1)C(=O)N(c1cccc([C@]3(c4nncn4C)C[C@H](F)C3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIZTTBXGHPRNG-OAFSWBPASA-N", "SMILES:Cn1cnnc1C(c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1)[C@H]1C[C@H](CC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCYMXGHPXIVGP-SSOJOUAXSA-N", "SMILES:C[C@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@H](c3nncn3C)C3COC3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZUXZGXTOGHQQ-JAHKUGPBSA-N", "SMILES:CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNC5CC6CC6C5)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRASKXTVWBAFRS-UHFFFAOYSA-N", "SMILES:Fc1ccccc1C1=Cc2ccccc2C2=NCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHXWMEXRFSXVKK-UHFFFAOYSA-N", "SMILES:NC1=NCC(c2cccc(Oc3ccc(Cl)cc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZAADBAXFDHOIO-UHFFFAOYSA-N", "SMILES:Clc1ccc(C2(C3=Cc4ccccc4C4=NCCN34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAHRGUYMKQCNRV-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(C3=Cc4cc(N5CCN(C)CC5)ccc4C4=NCCN34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCAOYOVDOFYSLA-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3nc(NCCN)c4ccccc4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLPTSDXAUSHCD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3nc(NCCN)c4ccc(N5CCN(C)CC5)cc4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQVPPQTLUULPF-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3nc(NCCN)c4ccc(N5CCN(C(C)=O)CC5)cc4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXEZJVHAWADIRT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(NCCN)nc(C4(c5ccc(Cl)cc5)CCCC4)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNLFBABAPIXMQM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(NCCN)nc(C4(c5ccc(Cl)cc5)CCCC4)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHIQYYMMNHQQK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(NCCN)nc(C4(c5ccc(Cl)cc5)CCCCC4)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGEKTDCCHNVLNE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc3c(NCCN)nc(C4(c5ccc(Cl)cc5)CCCCC4)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQILQDMMFJDZNW-UHFFFAOYSA-N", "SMILES:CC(C)(Cc1ccccc1)C1=Cc2ccccc2C2=NCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAYQAFPZOGMAA-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)NC(C)c3ccccc3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTNFXCNKQBLAEP-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1CNCC(=O)c1cn2ccc(-c3ccn4nc(NC(=O)C(C)C)nc4c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKKDOFHQVFGOO-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)cc4n3)cc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKNEOSTSJELRJ-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)cc4n3)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBWLRTSCQVOYBQ-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Nc1cccc(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3673933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLNYSKRQDLKES-UHFFFAOYSA-N", "SMILES:COc1ncc(CNc2ccc(Cc3c[nH]c4ncc(C(F)(F)F)cc34)c(F)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPYZFSYKCVPAV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2ccc(C(N)=O)c(NC3CCCNC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTUUOXBUMGLIU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYMFXSHEUEGOW-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2cn(-c3c(F)ccc(NS(=O)(=O)C(C)C)c3F)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTTXCELBJXBCKZ-ZDUSSCGKSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3cc4ccccc4o3)c3c(N)n[nH]c(=O)c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPFPBFKYAZTGI-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3c(=O)[nH]nc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATZCLQARSHGQO-UHFFFAOYSA-N", "SMILES:O=c1[nH]nc(NC2CCCC2)c2nnn(Cc3cccs3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGOUWCCRNILONW-SKDRFNHKSA-N", "SMILES:CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1Nc1c(C(F)(F)F)cnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGOUWCCRNILONW-BXKDBHETSA-N", "SMILES:CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@H]1Nc1c(C(F)(F)F)cnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUCSNRGGNZPVQI-UHFFFAOYSA-N", "SMILES:CCC1CN(C(=O)NCC(F)(F)F)CC1NCc1ccc(C)nc1-c1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKAVLJLYXKHJG-UHFFFAOYSA-N", "SMILES:CCC1CN(C(=O)NCC(F)(F)F)CC1N(C)c1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPFZPSSOZLMTSA-UHFFFAOYSA-N", "SMILES:CCC1CN(C(=O)NCC(F)(F)F)CC1Nc1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLPBTSRPLOBRW-UHFFFAOYSA-N", "SMILES:CCC1CN(C(=O)NCC(F)(F)F)CC12CCN(c1ncnc3[nH]ccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGYRIHRUPOADL-UHFFFAOYSA-N", "SMILES:CCC1CN(C(=O)NCC(F)(F)F)CC1c1nc(N)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKZPBQOOWMWEMV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)nc1)Nc1ccc(Oc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVYZBIDFHQMXCK-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1c(C#N)cnc2[nH]ccc12)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBDQDVJBUMEZAF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1c(C(F)(F)F)cnc2[nH]c(-c3ccc(F)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEDYEBJLWMPPOK-UHFFFAOYSA-N", "SMILES:Nc1nc2ccc(C(F)(F)F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKQDAIVDZXQKCT-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2nc(N)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWQLRCODRPXKE-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc2nc(N3CCNCC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHVJLPWSGHROAQ-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc3nc(N4CCNCC4)sc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOFYFABDAAWNLG-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)ccc1N1CN(c2ccc(F)cc2C(C)C)c2cnc(C(F)(F)F)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVAXVXEWOIGNP-UHFFFAOYSA-N", "SMILES:CCc1c(N2CN(c3ccc(=O)[nH]c3C)C(=O)c3cc(C(F)(F)F)ncc32)ccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPACDKOMDYHWIR-UHFFFAOYSA-N", "SMILES:CCc1cc(F)ccc1N1CN(c2ccc(=O)[nH]c2C)C(=O)c2cc(C(F)(F)F)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDVYWGKDSHINDP-UHFFFAOYSA-N", "SMILES:Cc1cc(OC(F)(F)F)ccc1N1CN(c2ccc(=O)[nH]c2C)C(=O)c2cc(C(F)(F)F)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQIUCIHAHGGQF-UHFFFAOYSA-N", "SMILES:Cc1[nH]c(=O)ccc1N1CN(c2ccc(F)c(F)c2C)c2cnc(C(F)(F)F)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJWSTFAHQAKCBG-UHFFFAOYSA-N", "SMILES:Cc1cc(OC(F)(F)F)ccc1N1CN(c2cc(F)c(=O)[nH]c2C)C(=O)c2cc(C(F)(F)F)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCBCSGACSCSXNO-KBPBESRZSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)NCc1ccc(F)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAJLMFWIFAWMDP-QWRGUYRKSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)Nc1ccc(F)nc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGYPBSDTLZXFQV-PLONXXMRSA-N", "SMILES:O=C(O)CC[C@H](CC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C[C@H](NC(=O)CCC(=O)CO/N=C/c2ccc(F)cc2)C(=O)O)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFLABIUSQPWHCH-MPCSGZOKSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c2ccc(F)nc2)CC1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLYYRAILLKNZNS-UHFFFAOYSA-N", "SMILES:C=C(NCC)NC(=O)Nc1c(CC)cccc1CC"]}
{"name": "4'-phosphopantetheinyl transferase PptT", "xref": ["CHEMBL.TARGET:CHEMBL5465373"], "id": "UniProtKB:O33336", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMRKBDZTKEPHM-UHFFFAOYSA-N", "SMILES:CCNc1cccc(Nc2c(CC)cccc2CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBILJYRRIBSQDY-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1Nc1cccc(NC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXPMXKFRLTJJA-UHFFFAOYSA-N", "SMILES:CCNc1cccc(Nc2c(C3CC3)cccc2C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIVDKTYUCQLLC-UHFFFAOYSA-N", "SMILES:CCNc1ccc(F)c(Nc2c(CC)cccc2CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCMOZLBEYELOM-UHFFFAOYSA-N", "SMILES:CCNc1nc(Nc2c(CC)cccc2CC)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKJCADOMDOUOFV-UHFFFAOYSA-N", "SMILES:CCNc1ccc(C(F)(F)F)c(Nc2c(CC)cccc2CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCZOBRFYFWWRD-UHFFFAOYSA-N", "SMILES:CCNc1cc(OC)cc(Nc2c(CC)cccc2CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVIWYPIHYJBTK-UHFFFAOYSA-N", "SMILES:CCNc1nc(Nc2c(CC)cccc2CC)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPYQBDAGPJQET-UHFFFAOYSA-N", "SMILES:CCNc1ccc(C)c(Nc2c(CC)cccc2CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGSWUSLJCUYYDA-UHFFFAOYSA-N", "SMILES:CCNc1cc(C)cc(Nc2c(CC)cccc2CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKRDQZUMZBMFX-UHFFFAOYSA-N", "SMILES:CCNc1nc(Nc2c(CC)cccc2CC)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMVQVSQIOXOOH-QGOAFFKASA-N", "SMILES:CCc1cccc(CC)c1/N=C1\\CNC(=N)N1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLERNIRTBJPSJG-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1/N=C1\\CN(CC)C(=N)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLJJOSJBCZAPCM-UHFFFAOYSA-N", "SMILES:CCNc1cccc(Nc2c(CC(F)(F)F)cccc2CC(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXBMGFRIBLWIFL-UHFFFAOYSA-N", "SMILES:CCNc1cccc(Nc2c(CC)cc(S(=O)(=O)NCC)cc2CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXRCSRVJKHRBS-UHFFFAOYSA-N", "SMILES:CCNc1cccc(Nc2c(CC)cc(C(=O)NC)cc2CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEITBNKIZISIA-UHFFFAOYSA-N", "SMILES:Cn1nc2cc1CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c(c(Cl)ccc13)-c1c(cnn1C)CSC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGKJCRHYIPKAB-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2c1CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRWGDTVBXIUNX-UHFFFAOYSA-M", "SMILES:Cc1nn(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccccc3c1)OCCCc1c(C(=O)[O-])n(C)c3c-2c(Cl)ccc13.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDIGUAYHDRXVSK-UHFFFAOYSA-N", "SMILES:COCCOCc1nn(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOEIBOPGDGMYDG-UHFFFAOYSA-M", "SMILES:Cc1nn(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccc(F)cc3c1)OCCCc1c(C(=O)[O-])n(C)c3c-2c(Cl)ccc13.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJXIDXIADATUOH-UHFFFAOYSA-N", "SMILES:COCCOCc1nn(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccc(F)cc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHBFOLHZQIMZET-UHFFFAOYSA-N", "SMILES:COCCOCCc1nn(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccc(F)cc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTFWRZKWTXEKX-UHFFFAOYSA-N", "SMILES:Cn1nc2cc1CCc1cc(c3ccc(F)cc3c1)OCCCc1c(C(=O)O)[nH]c3c(c(Cl)ccc13)-c1c(cnn1C)CSC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWLFJOBJUQLVCG-UHFFFAOYSA-N", "SMILES:CN(C)CCn1c(C(=O)O)c2c3ccc(Cl)c(c31)-c1c(cnn1C)CSCc1cc(n(C)n1)CCc1cc(c3ccc(F)cc3c1)OCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBLHHSLRHDXJS-UHFFFAOYSA-N", "SMILES:COCCn1c(C(=O)O)c2c3ccc(Cl)c(c31)-c1c(cnn1C)CSCc1cc(n(C)n1)CCc1cc(c3ccc(F)cc3c1)OCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGDUGLCJDSJQMR-UHFFFAOYSA-N", "SMILES:Cn1nc2cc1CCc1cc(c3ccc(F)cc3c1)OCCCc1c(C(=O)O)n(CCN3CCOCC3)c3c(c(Cl)ccc13)-c1c(cnn1C)CSC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBTWSJCUIGFRS-UHFFFAOYSA-N", "SMILES:COCCOCCn1c(C(=O)O)c2c3ccc(Cl)c(c31)-c1c(cnn1C)CSCc1cc(n(C)n1)CCc1cc(c3ccc(F)cc3c1)OCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGOKSMNDHVAEQB-JWWWHLNLSA-N", "SMILES:CO[C@H]1/C=C/[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWIITUGJHSVZBL-UHFFFAOYSA-N", "SMILES:Oc1cc(N2CCc3c(nc(OCC45CCCN4CCC5)nc3N3CC4CCC(C3)N4)C2)c2c(Cl)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZADKKDCXUYQOG-OHAKLNMTSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)cc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPDNNBNFGQAQC-OHAKLNMTSA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)cc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKXOHVUNADFNTQ-BCQYBHJQSA-N", "SMILES:C#Cc1cccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)cc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAUFKJJBNJIKOW-SOLCCORKSA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C)(C5)N6)cc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDWYPKOLOFTPL-OCDZNGHQSA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)cc(C#C[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEANRMLMUAZOBH-OCDZNGHQSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)cc(C#C[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFDTPFWGAEZMW-CYCBOSICSA-N", "SMILES:Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)cc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(F)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHSSVAFDQVBZGK-LIGKVRMXSA-N", "SMILES:CN(C)C(=O)C(CCN1C[C@H](O)C/C1=C\\N1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPKSRLSDLZMHEP-WUFINQPMSA-N", "SMILES:CN(C)C(=O)C(CCN1C[C@H](O)C[C@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACUOSRXKTFDQLE-IOWSJCHKSA-N", "SMILES:CCc1cc(Cl)c(OC)c(N2CCN(C[C@@H]3C[C@@H](O)CN3CCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVAZCHZCMGUSFW-WUFINQPMSA-N", "SMILES:CN(C)C(=O)C(CCN1C[C@H](O)C[C@H]1CN1CCN(c2cccc(C(F)(F)F)n2)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUQRBDBFQHGDF-NDKRRWIDSA-N", "SMILES:CN(C)C(=O)C(CCN1C[C@H](O)C[C@H]1C(=O)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFIFMHZQHDPZDW-JSOSNVBQSA-N", "SMILES:CN(C)C(=O)C(CCN1C[C@H](O)C[C@H]1C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)n2)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUILOJELWBGMK-JSOSNVBQSA-N", "SMILES:CN(C)C(=O)C(CCN1C[C@H](F)C[C@H]1C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)n2)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEOKFJSXAQOOQ-NDKRRWIDSA-N", "SMILES:CN(C)C(=O)C(CCN1C[C@H](F)C[C@H]1C(=O)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKRZZKIVIDSCSL-VTIYRKAUSA-N", "SMILES:CN(C)C(=O)C(CCN1C[C@H](F)C[C@H]1C(=O)NCCCCN1CCN(c2nsc3ccccc23)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMABWURKRSVEKR-UHFFFAOYSA-N", "SMILES:CC1CCC(CN2CCN(c3cccc(Cl)c3Cl)CC2)CN1CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMUUXLBLOLIMJC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCN1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)C1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBRXTYCBGMMII-UHFFFAOYSA-N", "SMILES:CCc1cc(Cl)c(OC)c(N2CCN(Cc3cn(CCC(C(=O)N(C)C)(c4ccccc4)c4ccccc4)nn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQWGVAKEMWBPU-UHFFFAOYSA-N", "SMILES:CCc1cc(Cl)c(OC)c(N2CCN(CCCCc3cn(CCC(C(=O)N(C)C)(c4ccccc4)c4ccccc4)nn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANNLFDUPFAFPFH-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCN1CCN(c2cccc(C(F)(F)F)n2)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNHUSJMVRFFWKB-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(CCN1CCN(c2nsc3ccccc23)CC1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEYHWKKZIDOJLS-LOSJGSFVSA-N", "SMILES:CN(C)C(=O)C(CCN[C@@H]1C[C@H]1c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIDCICLXZSWQGO-WUFINQPMSA-N", "SMILES:CCCN(CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWUCXQTDONCCL-RRPNLBNLSA-N", "SMILES:CN(C)C(=O)C(CCN(CCO)[C@@H]1C[C@H]1c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOVYFSFWXVSASO-IZZNHLLZSA-N", "SMILES:COc1ccc([C@@H]2C[C@H]2NCCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXJZOQIIPSJTIK-LOSJGSFVSA-N", "SMILES:CN(C)C(=O)C(CCN[C@@H]1C[C@H]1c1ccc(F)cc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDDYQHSKSCCPP-LOSJGSFVSA-N", "SMILES:COc1ccccc1[C@@H]1C[C@H]1NCCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRKVMJHROLSFMV-OAQYLSRUSA-N", "SMILES:Fc1cncc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHGIMVBWBWKDOW-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(CCCOC3(c4ccccn4)CCOCC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQDDNQVYYAJBQL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(N2CCN(CCCOC3(c4ccccn4)CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIKSIDUOMAEBE-UHFFFAOYSA-N", "SMILES:CCC1(CC)CC(OCCCN2CCN(c3cccc(Cl)c3Cl)CC2)(c2ccccn2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUGBPBCNJHXWRP-UHFFFAOYSA-N", "SMILES:CCC1(CC)CC(OCCCN2CCN(c3cccc(C(F)(F)F)n3)CC2)(c2ccccn2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILSZFKXSYCHGB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(N2CCN(CCCOC3(c4ccccn4)CCOC4(CCCC4)C3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGCAUQWFZKMPKW-UHFFFAOYSA-N", "SMILES:CCC1(CC)CC(OCCCNCc2cccc(C(F)(F)F)n2)(c2ccccn2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFCMJHZNAYJRLV-UHFFFAOYSA-N", "SMILES:CCC1(CC)CC(OCCCNCc2cccc(Cl)c2Cl)(c2ccccn2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OERZGWUVKSWOKP-RBUKOAKNSA-N", "SMILES:Clc1ccc([C@@H]2C[C@H]2NCCC2(c3ccccn3)CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCJUANYGWCBDC-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(CCCCNCCC3(c4ccccn4)CCOCC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNKXCQYEDYCLBH-UHFFFAOYSA-N", "SMILES:Clc1cccc(N2CCN(CCC3(c4ccccn4)CCOCC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSXFLZNLAYRGB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(N2CCN(CCC3(c4ccccn4)CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLZPYQDTASRQC-JCVDRHSJSA-N", "SMILES:Clc1ccc([C@@H]2C[C@H]2NCCC2(c3ccccn3)CCOC3(CCCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHXTZGOVTCBSLC-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(N2CCN(CCC3(c4ccccn4)CCOC4(CCCC4)C3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAZAUATOPVVRV-IHWYPQMZSA-O", "SMILES:C[n+]1cn(C/C=C\\CP(=O)(O)O)c2nc(N)[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYBINFRTAKGSW-UPHRSURJSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(Cl)cc1)cn2C/C=C\\CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEHZPFNZEGNOQM-PLNGDYQASA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(-c3ccccc3)cc1)cn2C/C=C\\CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLUWGRHGJBYAG-UPHRSURJSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](CCOc1ccc(Cl)cc1)cn2C/C=C\\CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIVWZVSDHRDAZ-UPHRSURJSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1cc3cc(Cl)ccc3o1)cn2C/C=C\\CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZICBAZQGWIAIO-UPHRSURJSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1cc3cc(Cl)ccc3s1)cn2C/C=C\\CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXCHHKBFUHEEM-UPHRSURJSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1cn3cc(Cl)ccc3n1)cn2C/C=C\\CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTMWLOUXSFOCX-UPHRSURJSA-O", "SMILES:Nc1nc2c(c(=O)[nH]1)[n+](Cc1cc3cc(Cl)ccc3[nH]1)cn2C/C=C\\CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBGMCHHWHRCXHH-UHFFFAOYSA-N", "SMILES:NCC(=O)NC(CCC(=O)CNC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APZBUSYQTOAHOL-UHFFFAOYSA-N", "SMILES:NCC(=O)NC(CCC(=O)NC(Cc1c(Sc2ccc(C(F)(F)F)cc2)[nH]c2ccccc12)C(=O)O)(CCC(=O)NC(Cc1c(Sc2ccc(C(F)(F)F)cc2)[nH]c2ccccc12)C(=O)O)CCC(=O)NC(Cc1c(Sc2ccc(C(F)(F)F)cc2)[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJHSWVYBIRJKX-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Sc2[nH]c3ccccc3c2CC(NC(=O)CCC(CCC(=O)NC(Cc2c(Sc3ccc(C(C)=O)cc3)[nH]c3ccccc23)C(=O)O)(CCC(=O)NC(Cc2c(Sc3ccc(C(C)=O)cc3)[nH]c3ccccc23)C(=O)O)NC(=O)CN)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNPJVLGFHQVAQP-UHFFFAOYSA-N", "SMILES:CCCCCCCC(=O)NCC(=O)NC(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWTQVYPUPOWHAD-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCC(=O)NCC(=O)NC(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNKIFVFRPHNODC-UHFFFAOYSA-N", "SMILES:O=C(CCOCCOCCOCCOCCC(=O)NCC(=O)NC(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)NCC(=O)NC(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)(CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O)CCC(=O)NC(Cc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEUTUCXZPLQQM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nnc(SCc3cc(=O)n4c(c3C3CC3)SCC4C(=O)O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAOJOPLPGSDIEU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc(-c3cc(=O)n4c(c3C3CC3)SCC4C(=O)O)on2)cc1.c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJGOWRBPVYBBD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-n2cc(-c3cc(=O)n4c(c3C3CC3)SCC4C(=O)O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITKVBIKEUXHAU-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCC(=O)O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWLOFUCMYZWTOK-CMDGGOBGSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDQKPHSRZPDRH-CMDGGOBGSA-N", "SMILES:CCc1nn(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2cn(C)nc2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARVLWGEXXBNMM-CMDGGOBGSA-N", "SMILES:CCc1nn(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCO)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBXXACVSGOEIOT-CMDGGOBGSA-N", "SMILES:CCc1nc(C)sc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2sc(C)nc2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJWBCPAFMGEFRG-CMDGGOBGSA-N", "SMILES:CCc1nc(C)sc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCO)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYYFQUVLZLILH-CMDGGOBGSA-N", "SMILES:CCc1nc(C)oc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCO)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCYDUNKFCIWXNA-CMDGGOBGSA-N", "SMILES:CCc1nc(C)oc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOGNEAQPTHRJQM-CMDGGOBGSA-N", "SMILES:CCc1nc(C)oc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCUXPMNEVGSYAB-FFAXILIXSA-N", "SMILES:CCn1nc(C)cc1C(=O)/N=c1\\sc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAVHHHNVGFUUEW-IYSADAOCSA-N", "SMILES:CCc1nc(C)oc1C(=O)/N=c1\\sc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHAQFCKLQCTAJ-RWAFOWDLSA-N", "SMILES:CCc1nc(C)oc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCO)c2n1C/C=C/Cn1/c(=N/C(=O)c2cc(C)nn2CC)sc2cc(C(N)=O)cc(OC)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQHIJJGKUAVQNL-BQYQJAHWSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cnc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDFGBNCRMMRDC-BQYQJAHWSA-N", "SMILES:CCc1nc(C)oc1C(=O)Nc1nc2cc(C(N)=O)cnc2n1C/C=C/Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQYUWSGGMKTXIN-BQYQJAHWSA-N", "SMILES:CCc1nc(C)oc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCO)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTMFGPIEBQFQB-VOTSOKGWSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cnc2n1C/C=C/Cn1c(NC(=O)c2oc(C)nc2C)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQQYLURSYAEXGS-ARBMNXOXSA-N", "SMILES:CCc1nc(C)oc1C(=O)/N=c1\\sc2cc(C(N)=O)cnc2n1C/C=C/Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(C(N)=O)cc(OCCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNPITZKIDQIVAZ-ARBMNXOXSA-N", "SMILES:CCc1nc(C)oc1C(=O)/N=c1\\sc2cc(C(N)=O)cc(OCCCO)c2n1C/C=C/Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(C(N)=O)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHDHJOEPUQALZ-ZSOIEALJSA-N", "SMILES:O=C1NC(NC2CCCCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVVHFDIQCYTOAS-MLPAPPSSSA-N", "SMILES:O=C1NC(NC2CCCC(F)(F)C2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPYAXSYKQBYKJ-AUWJEWJLSA-N", "SMILES:O=C1NC(NC2CCCCC(F)(F)C2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGIFFVMTGMFBP-NVNXTCNLSA-N", "SMILES:O=C1NC(NCC(O)C2CCCCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFDRONLMXPRQPP-MEODAHEFSA-N", "SMILES:O=C1NC(N[C@H]2C3CC4CC2C[C@](O)(C4)C3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVQTEBOVFILCQ-SOFYXZRVSA-N", "SMILES:O=C1NC(NC23CC4CC(CC2C4)C3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDVVGCNUWGGRS-XRVIQIRUSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(O)(C4)C2)C3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJYLSCSDDDQEPD-ZWSORDCHSA-N", "SMILES:COC12CC3CC(CC(NC4=N/C(=C\\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIYXLIZWXGGKOO-XRVIQIRUSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(F)(C4)C2)C3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTLOEWZYIGVBO-BNNQUZSASA-N", "SMILES:O=C1NC(NC23CC4(F)CC(F)(CC(F)(C4)C2)C3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXGFAAKCUOWNM-GXHLCREISA-N", "SMILES:CC(C)(C)NC(=O)OC12CC3CC(CC(NC4=N/C(=C\\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMUKOEKTUBVPFU-DVZOWYKESA-N", "SMILES:CC(=O)NC12CC3CC(C1)CC(NC1=N/C(=C\\c4ccc5ncsc5c4)C(=O)N1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNQBFHVFFZHMR-SWNXQHNESA-N", "SMILES:O=C1NC(NC23CC4CC(CC(NC(=O)C5CC5)(C4)C2)C3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFBTYPBHYOEMX-ZWSORDCHSA-N", "SMILES:CS(=O)(=O)NC12CC3CC(CC(NC4=N/C(=C\\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBTJWRPKGNQBJS-FXBPXSCXSA-N", "SMILES:CN(C)C12CC3CC(CC(NC4=N/C(=C\\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBCSUMURJUYILA-YMDFIQGPSA-N", "SMILES:O=C1NC(N[C@@H](CO)c2ccccc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTVDEOSKNCLFA-FVNMCKKKSA-N", "SMILES:Cl.Cl.NCC(NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTVDEOSKNCLFA-ZKIUCNHRSA-N", "SMILES:Cl.Cl.NC[C@H](NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTVDEOSKNCLFA-VRVQOZLGSA-N", "SMILES:Cl.Cl.NC[C@@H](NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMDVZUSIQUTDS-ULPVBNQHSA-N", "SMILES:CNCC(NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)c1ccccc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYKJBQTIFDJMU-UNOMPAQXSA-N", "SMILES:CN1CCN(c2ccc(NC3=N/C(=C\\c4ccc5ncsc5c4)C(=O)N3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPOHOOPSDHHPW-JYRVWZFOSA-N", "SMILES:O=C1NC(NC2CCCCC2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKPWAFLNKBBFC-JYRVWZFOSA-N", "SMILES:O=C1NC(NC2CCCCC2)=N/C1=C\\c1ccc2nnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQFFZFFKGFYNKB-DHDCSXOGSA-N", "SMILES:Cc1nc2ccc(/C=C3\\N=C(NC4CCCCC4)NC3=O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQAZMVUNBILJGW-ZSOIEALJSA-N", "SMILES:O=C1NC(NC2CCCCC2)=N/C1=C\\c1ccc2ncoc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVZORWAPBGBTCT-PTNGSMBKSA-N", "SMILES:O=C1NC(NC2CCCCC2)=N/C1=C\\c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUAJNWQCLQAAA-DHDCSXOGSA-N", "SMILES:O=C1NC(NC2CCCCC2)=N/C1=C\\c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCUNCFYJKLSBKK-DHDCSXOGSA-N", "SMILES:Cn1cnc2ccc(/C=C3\\N=C(NC4CCCCC4)NC3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJVGZWWTWGRGFK-DHDCSXOGSA-N", "SMILES:O=C1NC(NC2CCCCC2)=N/C1=C\\c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFZLFYUNSURMIG-GDNBJRDFSA-N", "SMILES:Cn1ncc2cc(/C=C3\\N=C(NC4CCCCC4)NC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJICMLZOGOVQRG-YBEGLDIGSA-N", "SMILES:Cn1cc2cc(/C=C3\\N=C(NC4CCCCC4)NC3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUADZDBGZDSSAB-ZROIWOOFSA-N", "SMILES:O=C1NC(NC2CCCCCC2)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWQVHZBLABPSP-ZROIWOOFSA-N", "SMILES:O=C1NC(NC2CCCCCC2)=N/C1=C\\c1ccc2nnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVDZJUNTQGTGHF-YBEGLDIGSA-N", "SMILES:Cc1nc2ccc(/C=C3\\N=C(NC4CCCCCC4)NC3=O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAQBQAXSLHDSKW-DHDCSXOGSA-N", "SMILES:O=C1NC(NC2CCCCCC2)=N/C1=C\\c1ccc2ncoc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMDKRFMVUYOOQ-VBKFSLOCSA-N", "SMILES:O=C1NC(NC2CCCCCC2)=N/C1=C\\c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIXFZAUCITSCM-YBEGLDIGSA-N", "SMILES:O=C1NC(NC2CCCCCC2)=N/C1=C\\c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBPDNLIBIZZFL-YBEGLDIGSA-N", "SMILES:Cn1cnc2ccc(/C=C3\\N=C(NC4CCCCCC4)NC3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COYCDCAUDJBGOV-YBEGLDIGSA-N", "SMILES:O=C1NC(NC2CCCCCC2)=N/C1=C\\c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPQSZAVBAJMLRF-WJDWOHSUSA-N", "SMILES:Cn1ncc2cc(/C=C3\\N=C(NC4CCCCCC4)NC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTHYGYNOCOBONC-BOPFTXTBSA-N", "SMILES:Cn1cc2cc(/C=C3\\N=C(NC4CCCCCC4)NC3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBMQGIPVJGXLOU-SOFYXZRVSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N/C1=C\\c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRVEMKSOIGGCS-SOFYXZRVSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N/C1=C\\c1ccc2nnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKFRVXDYILXFJ-WSVATBPTSA-N", "SMILES:Cc1nc2ccc(/C=C3\\N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCBGQLCXZWXYLW-IDUWFGFVSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N/C1=C\\c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUDHVVXPBGMAPV-FMQZQXMHSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N/C1=C\\c1ccc2ncoc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMYSGMXAOXMMGG-NVMNQCDNSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N/C1=C\\c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEZMGVBTPDYRPO-WSVATBPTSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N/C1=C\\c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLKHMZQUNIHINK-WSVATBPTSA-N", "SMILES:Cn1cnc2ccc(/C=C3\\N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJKPCYDSZXIODK-WSVATBPTSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N/C1=C\\c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANUXQYVRUHAAH-LSCVHKIXSA-N", "SMILES:Cn1ncc2cc(/C=C3\\N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIICGXXZCWRFQE-UWVJOHFNSA-N", "SMILES:Cn1cc2cc(/C=C3\\N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSYHPNOTPGEAF-OCKHKDLRSA-N", "SMILES:O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N/C1=C\\c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSNGPDJYNPSXNA-WZUFQYTHSA-N", "SMILES:O=C1NC(NC2CC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQLWSCZCZJWUMZ-SDQBBNPISA-N", "SMILES:O=C1NC(NC2CCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGWCJGBQHCMHNJ-QPEQYQDCSA-N", "SMILES:O=C1NC(NC2CCCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKBUBMBPCJYKW-YBEGLDIGSA-N", "SMILES:O=C1NC(NC2CCCCCCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBURYRMHEHTVED-DTJUADOXSA-N", "SMILES:C[C@@H]1CCCC[C@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGSCWEKDRWDCOB-DZZSIBQASA-N", "SMILES:C[C@@H](NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFZIDBAEKWSVSX-CMRDJVCKSA-N", "SMILES:CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCTYEZWILVGTGO-ONGFQANTSA-N", "SMILES:C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC1=N/C(=C\\c3ccc4ncsc4c3)C(=O)N1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTDWHFXSWDVAG-NSIKDUERSA-N", "SMILES:O=C1NC(NC2CC3(CCC3)C2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPFCXUWNMYMSW-ZSOIEALJSA-N", "SMILES:O=C1NC(NC2CC23CCCCC3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSVYVPFNYRNOF-CHHVJCJISA-N", "SMILES:O=C1NC(NC2CC3CCC2C3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBYPANVVFZBWDF-OEGXJBBASA-N", "SMILES:CC1(C)C2CCC1(C)[C@H](NC1=N/C(=C\\c3ccc4ncsc4c3)C(=O)N1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJYQOVMGZOATNK-XGICHPGQSA-N", "SMILES:O=C1NC(NC2CCC(F)(F)C2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCJOTKUJWJFCSP-GHXNOFRVSA-N", "SMILES:O=C1NC(NC2CCCCC2(F)F)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNPWUWSWEGWPMQ-QPEQYQDCSA-N", "SMILES:O=C1NC(NC2CCC(F)(F)CC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTHCIZMSQZYMR-AYWSEEJGSA-N", "SMILES:O=C1NC(N[C@@H]2CCC[C@@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTHCIZMSQZYMR-PMLKFVNJSA-N", "SMILES:O=C1NC(N[C@@H]2CCC[C@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQXGVGYNKIGJD-VMNIFKSYSA-N", "SMILES:O=C1NC(N[C@@H]2CCCC[C@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQXGVGYNKIGJD-HWRLVWNTSA-N", "SMILES:O=C1NC(N[C@H]2CCCC[C@@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQXGVGYNKIGJD-ONLLTHEQSA-N", "SMILES:O=C1NC(N[C@H]2CCCC[C@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQXGVGYNKIGJD-JYPUUYBRSA-N", "SMILES:O=C1NC(N[C@@H]2CCCC[C@@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTCEYSNDOXWKS-OYPJRYJSSA-N", "SMILES:O=C1NC(N[C@@H]2CCC[C@H](O)C2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTCEYSNDOXWKS-NLPBANIMSA-N", "SMILES:O=C1NC(N[C@@H]2CCC[C@@H](O)C2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMIDGKZVYFXIBW-URQBRDCWSA-N", "SMILES:O=C1NC(N[C@H]2CC[C@H](O)CC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVSNYWBRDTHFF-LQOIGFFLSA-N", "SMILES:O=C1NC(N[C@@H]2CCCCC[C@@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVSNYWBRDTHFF-AOVYYNQDSA-N", "SMILES:O=C1NC(N[C@@H]2CCCCC[C@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVSNYWBRDTHFF-WQVXJKCVSA-N", "SMILES:O=C1NC(N[C@H]2CCCCC[C@@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHPORTUXBLFUPA-LRCIEKKDSA-N", "SMILES:O=C1NC(N[C@@H]2CCCC[C@H](O)C2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHPORTUXBLFUPA-FYVPPRJRSA-N", "SMILES:O=C1NC(N[C@@H]2CCCC[C@@H](O)C2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWDTSLHUJHODF-DVTVXSLWSA-N", "SMILES:O=C1NC(N[C@@H]2CCC[C@H](O)CC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWDTSLHUJHODF-VPHXBNOSSA-N", "SMILES:O=C1NC(N[C@@H]2CCC[C@@H](O)CC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWDTSLHUJHODF-JRMKUJCASA-N", "SMILES:O=C1NC(N[C@H]2CCC[C@H](O)CC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTRZNDLLYHSJSH-JYPUUYBRSA-N", "SMILES:CO[C@H]1CCC[C@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTRZNDLLYHSJSH-VMNIFKSYSA-N", "SMILES:CO[C@@H]1CCC[C@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTRZNDLLYHSJSH-HWRLVWNTSA-N", "SMILES:CO[C@H]1CCC[C@@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJRKTBELWGSDN-LQOIGFFLSA-N", "SMILES:CO[C@H]1CCCC[C@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJRKTBELWGSDN-AOVYYNQDSA-N", "SMILES:CO[C@@H]1CCCC[C@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJRKTBELWGSDN-WQVXJKCVSA-N", "SMILES:CO[C@H]1CCCC[C@@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFKKIMDRSZOOW-LRCIEKKDSA-N", "SMILES:CO[C@H]1CCC[C@@H](NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFKKIMDRSZOOW-FYVPPRJRSA-N", "SMILES:CO[C@@H]1CCC[C@@H](NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFKKIMDRSZOOW-FLOSXWIUSA-N", "SMILES:CO[C@H]1CCC[C@H](NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIEDQRFRRJHOSA-FIMUYXNPSA-N", "SMILES:CO[C@H]1CC[C@H](NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOMWAYINPJPDX-NFVJRJMQSA-N", "SMILES:CO[C@H]1CCCCC[C@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOMWAYINPJPDX-CJKKJBIBSA-N", "SMILES:CO[C@@H]1CCCCC[C@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHZQZEGQCKWCLP-VKQKDJGISA-N", "SMILES:CO[C@H]1CCCC[C@@H](NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHZQZEGQCKWCLP-HCWKHTBGSA-N", "SMILES:CO[C@@H]1CCCC[C@@H](NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKYADWZYKSCAJ-PHJLPTPPSA-N", "SMILES:CO[C@H]1CCC[C@@H](NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKYADWZYKSCAJ-BXLLULHASA-N", "SMILES:CO[C@H]1CCC[C@H](NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLKPCAUPXBTPC-CGYDICSFSA-N", "SMILES:CC[C@H](CO)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLKPCAUPXBTPC-IUIMMGEKSA-N", "SMILES:CC[C@@H](CO)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBCFQVEEKUZSU-KXQKXUNCSA-N", "SMILES:CC(C)C[C@H](CO)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBCFQVEEKUZSU-JVXNRYDGSA-N", "SMILES:CC(C)C[C@@H](CO)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEICIAVUWSXRGP-KXQKXUNCSA-N", "SMILES:O=C1NC(N[C@@H](CO)CC2CC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEZCHKAGMYXVNX-QVYJARAXSA-N", "SMILES:O=C1NC(N[C@@H](CO)CC2CCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSOYRZFTRFBFM-MEFZMRIGSA-N", "SMILES:O=C1NC(N[C@@H](CO)CC2CCCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBIWQDNWQHQXFS-GESOSKEOSA-N", "SMILES:O=C1NC(N[C@@H](CO)CC2CCCCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWORFRWIDWQHPL-NVNXTCNLSA-N", "SMILES:O=C1NC(NC(CO)C2CCCCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426285", "category": ["biolink:ChemicalEntity"], "name": "5-(6-BENZOTHIAZOLYLMETHYLENE)-3,5-DIHYDRO-2-(((1S)-1-(METHOXYMETHYL)-3-METHYLBUTYL)AMINO)-4H-IMIDAZOL-4-ONE, (5Z)-", "xref": ["InChIKey:CHQYAWLKOUOTQO-QVYJARAXSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"], "synonym": ["5-(6-benzothiazolylmethylene)-3,5-dihydro-2-(((1s)-1-(methoxymethyl)-3-methylbutyl)amino)-4h-imidazol-4-one, (5z)-", "Leucettinib-21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQYAWLKOUOTQO-XKBFBRDOSA-N", "SMILES:COC[C@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMXFIMYKGLQAL-MEFZMRIGSA-N", "SMILES:CCOC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVSYLIPATGYBCZ-XPGOGFAUSA-N", "SMILES:CC(C)C[C@H](COC1CC1)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRPUHWUHZZNNOB-GESOSKEOSA-N", "SMILES:CC(C)C[C@H](COC(C)(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQFWMPIQBMOJL-WVGJEZMVSA-N", "SMILES:CC(C)C[C@H](COCc1ccccc1)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LASLZTNNTZVYMJ-ZRRZKUONSA-N", "SMILES:CC(C)C[C@H](COCc1ccc(F)cc1)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUDGLAJKNWCXIM-SXGWCWSVSA-N", "SMILES:COCC(NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDQDNNJFIKBKR-SXGWCWSVSA-N", "SMILES:COC(CNC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMWJBFSPIYCGRG-SDZLHINSSA-N", "SMILES:COC(=O)[C@H](C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHAEDURAZJASA-ZDWRTJATSA-N", "SMILES:COC(=O)[C@@H](NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USYASDQVUTWEQM-ITZJNCSMSA-N", "SMILES:COC(=O)[C@@H](NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)C(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVQTWCGWDOIFZ-SVSAJMPUSA-N", "SMILES:COC(=O)[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVQTWCGWDOIFZ-LVOZBFFPSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIVWKNZKXNNFCW-KXQKXUNCSA-N", "SMILES:CC(C)C[C@H](CF)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIVWKNZKXNNFCW-JVXNRYDGSA-N", "SMILES:CC(C)C[C@@H](CF)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEZQEFCKXVMFN-FXBPXSCXSA-N", "SMILES:O=C1NC(NCC23CC4CC(CC(C4)C2)C3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWCUQTMFJUAAHV-GXHLCREISA-N", "SMILES:CC(NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEJSQZULGDKBQV-IUXPMGMMSA-N", "SMILES:O=C1NC(NC2C3CC4CC(C3)CC2C4)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGVLUDLFNRZMNT-NVMNQCDNSA-N", "SMILES:COC(=O)C1(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIUKIZPDJZQKD-LARPSKPRSA-N", "SMILES:C[C@]12CC3CC(NC4=N/C(=C\\c5ccc6ncsc6c5)C(=O)N4)(C1)C[C@@](C)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYUFJPHSWYELP-DVZOWYKESA-N", "SMILES:CC(=O)OC12CC3CC(CC(NC4=N/C(=C\\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGHLDMPONJRNE-GXHLCREISA-N", "SMILES:CC(C)(C)C(=O)OC12CC3CC(CC(NC4=N/C(=C\\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQCIEIGKPXQRLM-NVNXTCNLSA-N", "SMILES:O=C1NC(NCc2ccccc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYFLJXKEYHVBR-IUXPMGMMSA-N", "SMILES:Cc1ccc(CNC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILDWXOQLWEXDG-IUXPMGMMSA-N", "SMILES:Cc1ccc(CNC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYDWEMSWMQKSLK-CHHVJCJISA-N", "SMILES:O=C1NC(NCc2ccccc2C(F)(F)F)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OITUSVUYZAXFTD-AUWJEWJLSA-N", "SMILES:O=C1NC(NCc2ccccc2OC(F)(F)F)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRVHQVJVMWGKAV-IDUWFGFVSA-N", "SMILES:O=C1NC(NC2Cc3ccccc3C2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BULHRWBHKAVJMT-AYUBBMQVSA-N", "SMILES:O=C1NC(N[C@@H]2c3ccccc3C[C@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BULHRWBHKAVJMT-SRVMLKLISA-N", "SMILES:O=C1NC(N[C@H]2c3ccccc3C[C@@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBCSUMURJUYILA-MVMZHWFQSA-N", "SMILES:O=C1NC(N[C@H](CO)c2ccccc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAFFBDGNUZMNIJ-GESOSKEOSA-N", "SMILES:O=C1NC(N[C@@H](CO)Cc2ccccc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREJZZXSNOJGIW-YMDFIQGPSA-N", "SMILES:O=C1NC(NC[C@H](O)c2ccccc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREJZZXSNOJGIW-MVMZHWFQSA-N", "SMILES:O=C1NC(NC[C@@H](O)c2ccccc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCNDTHVVURYHKT-MFOYZWKCSA-N", "SMILES:O=C1NC(NCC(O)Cc2ccccc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRFAWSIUIFNVQA-BYDNTSKGSA-N", "SMILES:CO[C@H]1Cc2ccccc2[C@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRFAWSIUIFNVQA-BLUWKUTNSA-N", "SMILES:CO[C@@H]1Cc2ccccc2[C@H]1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YORVMWUGDVGXOQ-STKCSNAVSA-N", "SMILES:COC[C@H](NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YORVMWUGDVGXOQ-VHEJECIDSA-N", "SMILES:COC[C@@H](NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKWWUFBDIVBOBD-LOHYDARVSA-N", "SMILES:CC(C)(C)OC[C@H](NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOKKOQIQLHASZ-ZDLGFXPLSA-N", "SMILES:COCC(Cc1ccccc1)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXLOYKFDZEHCS-SXGWCWSVSA-N", "SMILES:COC(CNC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRPGBGWSLAGPND-ZDLGFXPLSA-N", "SMILES:COC(CNC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYUNADCLFWKGN-LPPOOGIUSA-N", "SMILES:COC(=O)[C@@H](Cc1ccccc1)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYUNADCLFWKGN-RNIVLKNTSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKADHBOXYDZFU-NVNXTCNLSA-N", "SMILES:O=C1NC(NC(CF)c2ccccc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDXUXJLQXOFAJG-YVLHZVERSA-N", "SMILES:CN(C)CC(NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEKWZJLZMSTLB-AUWJEWJLSA-N", "SMILES:O=C1NC(NCc2ccccn2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEWIXDGUKGVYDQ-NSIKDUERSA-N", "SMILES:O=C1NC(NCc2cccnc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVRRAWJPZXNFMK-AUWJEWJLSA-N", "SMILES:O=C1NC(NCc2ccncc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDYVHYUGOBDUMZ-DHDCSXOGSA-N", "SMILES:O=C1NC(NCCc2ccccn2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCYRFPVWRGQBV-CPSFFCFKSA-N", "SMILES:Cc1cnc(CNC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSLJAICTSVCDB-NSIKDUERSA-N", "SMILES:Cc1ccc(CNC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVYXLOYBJBMXNP-ZSOIEALJSA-N", "SMILES:O=C1NC(NCCCn2ccnc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSXUOHHBBMQMJ-QCDXTXTGSA-N", "SMILES:Cc1csc(CNC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNRLVGZOAVIXDU-AUWJEWJLSA-N", "SMILES:O=C1NC(NCc2nc3ccccc3s2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHSNDNONCUTNQR-AUWJEWJLSA-N", "SMILES:O=C1NC(NCC2CCOCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJFUWZMISVQGO-PXNMLYILSA-N", "SMILES:CN1CCC2(CC1)CC(NC1=N/C(=C\\c3ccc4ncsc4c3)C(=O)N1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYBRCDUVXHJNFH-NVNXTCNLSA-N", "SMILES:CN1CCC(CNC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRHLOPPMRFMKM-ZSOIEALJSA-N", "SMILES:O=C1NC(Nc2ccccc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJSBYJDACKEXSS-MOSHPQCFSA-N", "SMILES:CCCCCCc1ccc(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGCHSPYDLIKTIC-AUWJEWJLSA-N", "SMILES:O=C1NC(Nc2ccc(F)cc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHKUKQUEJSGMG-UUASQNMZSA-N", "SMILES:Cc1ccc(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHZZMGEDQCWKL-NSIKDUERSA-N", "SMILES:O=C1NC(Nc2cccc(C(F)(F)F)c2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRBWROIEALHOPH-NSIKDUERSA-N", "SMILES:O=C1NC(Nc2cccc(OC(F)F)c2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCNIAHUXCRTIA-IUXPMGMMSA-N", "SMILES:O=C1NC(Nc2ccc3c(c2)CCC3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGMCNIGKEVZHFM-IUXPMGMMSA-N", "SMILES:CC(=O)N1CCc2ccc(NC3=N/C(=C\\c4ccc5ncsc5c4)C(=O)N3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFESRGFMLQEDRD-CHHVJCJISA-N", "SMILES:Cn1ncc2cccc(NC3=N/C(=C\\c4ccc5ncsc5c4)C(=O)N3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDZKKHARXQKND-RGEXLXHISA-N", "SMILES:CN1CCN(c2ccc(NC3=N/C(=C\\c4ccc5c(c4)OCCO5)C(=O)N3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSEAAXKTTYQGAY-AQTBWJFISA-N", "SMILES:COc1ccc(/C=C2\\N=C(Nc3ccc(N4CCN(C)CC4)cc3)NC2=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZUVBZJZOQBPP-WQRHYEAKSA-N", "SMILES:O=C1NC(Nc2ccc(N3CCOCC3)cc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVLJVHWQAKYGQI-MLPAPPSSSA-N", "SMILES:O=C1NC(Nc2cccnc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYWACTNAXCMTTN-GHXNOFRVSA-N", "SMILES:O=C1NC(Nc2ccccn2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZUXWEBTNNKFBN-AUWJEWJLSA-N", "SMILES:COc1nc(C)ccc1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLNMWQUTXDGLJU-WDZFZDKYSA-N", "SMILES:O=C1NC(Nc2ncccn2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZBWTMAFLOSPA-BASWHVEKSA-N", "SMILES:O=C1NC(Nc2cncnc2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMDPCTZKMDHQTP-PXNMLYILSA-N", "SMILES:CN1CCN(c2cnc(NC3=N/C(=C\\c4ccc5ncsc5c4)C(=O)N3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDVXJJCVWTPPW-PXNMLYILSA-N", "SMILES:CN1CCN(c2ncc(NC3=N/C(=C\\c4ccc5ncsc5c4)C(=O)N3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBUJLBVNZCRWPX-NVNXTCNLSA-N", "SMILES:CN1CCN(c2cnc(NC3=N/C(=C\\c4ccc5ncsc5c4)C(=O)N3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWARURWFRZNNO-WDZFZDKYSA-N", "SMILES:Cn1ccc(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMBKAVGTUWUVBS-OQFOIZHKSA-N", "SMILES:O=C1NC(Nc2nncs2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKFHBMIPXGSMRS-JYOAFUTRSA-N", "SMILES:O=C1NC(NC2COC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOQCSBMVFAWQV-CGYDICSFSA-N", "SMILES:O=C1NC(N[C@@H]2CCOC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOQCSBMVFAWQV-IUIMMGEKSA-N", "SMILES:O=C1NC(N[C@H]2CCOC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBPOBEKAVPQZHZ-QPEQYQDCSA-N", "SMILES:O=C1NC(NC2CCOCC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXQZHHAAJMQJKU-PZHUPROXSA-N", "SMILES:O=C1NC(N[C@@H]2CCCOC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXQZHHAAJMQJKU-RYPVXOHGSA-N", "SMILES:O=C1NC(N[C@H]2CCCOC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJHMDVUOYUYLOJ-AUWJEWJLSA-N", "SMILES:CC1(C)CCC(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URXJBXVGNBGIJA-WNIKWDQDSA-N", "SMILES:O=C1NC(N[C@@H]2COCC[C@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URXJBXVGNBGIJA-CGGDQNISSA-N", "SMILES:O=C1NC(N[C@H]2COCC[C@@H]2O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQSBQXVIMQMCES-AUWJEWJLSA-N", "SMILES:O=C1NC(NC2CCCCOC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQYHWMWJLSKRP-ACAGNQJTSA-N", "SMILES:O=C1NC(NC2COCCOC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIKVRCYCKFUND-ZSOIEALJSA-N", "SMILES:CN1CCC(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVSPPVBZRQFLQY-AUWJEWJLSA-N", "SMILES:CN1CCCC(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSODDCRKIDDXKM-MLPAPPSSSA-N", "SMILES:O=C1NC(NC2CCCSC2)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZUFLDRZLTUMAC-WZUFQYTHSA-N", "SMILES:O=C1NC(NC2CCNC2=O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTIPFHOSNFHGV-WZUFQYTHSA-N", "SMILES:CC1(C)CNC(=O)C1NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXQXBEIFOYAXOP-WDZFZDKYSA-N", "SMILES:CC1(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXIIYIGVBRQNO-SDQBBNPISA-N", "SMILES:CN1CCC(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTCLVINURCCIL-UUKWBXHYSA-N", "SMILES:CN1CC[C@@](C)(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTCLVINURCCIL-PJCWUCBCSA-N", "SMILES:CN1CC[C@](C)(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZBIBZXOHFILQ-SDQBBNPISA-N", "SMILES:O=C1NC(NC2CCCNC2=O)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFOWEVIHKPOKTL-QPEQYQDCSA-N", "SMILES:CN1CCCC(NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEILWJKGWBDPRG-IUIMMGEKSA-N", "SMILES:O=C1CC[C@H](NC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTNARFZVOPLBO-XIEDVDOYSA-N", "SMILES:O=C1NC(N[C@@H]2CN3CCC2CC3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTNARFZVOPLBO-GSHXUFRSSA-N", "SMILES:O=C1NC(N[C@H]2CN3CCC2CC3)=N/C1=C\\c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPCHLCRENQCWNN-YVLHZVERSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CNC2=N/C(=C\\c3ccc4ncsc4c3)C(=O)N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWWGZUUBJBDHOB-ZROIWOOFSA-N", "SMILES:O=C1NC(NC2CCCCC2)=N/C1=C\\c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRDTOPRYXCMRJ-GDNBJRDFSA-N", "SMILES:O=C1NC(NC2CCCCCC2)=N/C1=C\\c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4643847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNKGVAXBSAHCH-UHFFFAOYSA-N", "SMILES:Cl.Cl.Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWAZGOAUFEECP-UHFFFAOYSA-N", "SMILES:O=C(Nc1nncs1)C(F)(F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSBAVSUQVXADP-UHFFFAOYSA-N", "SMILES:O=C(Nc1nncs1)C(F)(F)Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKABCXKEMPZHT-UHFFFAOYSA-N", "SMILES:O=C(Nc1nncs1)C(F)(F)I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGTPWTYCLIUZDG-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(-c2ccncc2)s1)C(F)(F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBZKGIEISLBPK-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(-c2ccncc2)s1)C(F)(F)Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGXSDVJGRMPNW-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(-c2ccncc2)s1)C(F)(F)I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1587819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTWDTPBHCWJWGJ-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccncc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGSBTSJQGYDNEI-UHFFFAOYSA-N", "SMILES:O=c1nc2n(C3CCCC3)c3cc(C4CCNCC4)ccc3n2c2cccc(Br)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSELNKYPNSPLEU-UHFFFAOYSA-N", "SMILES:N#Cc1cncc(COc2cc(OCc3cccc(-c4ccccc4F)c3Cl)ccc2CNCCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLHSFRZHEMHKAF-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)Cn1c(CCC(=O)O)nc2c(Cl)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KICWUCVHRSAASF-UHFFFAOYSA-N", "SMILES:COc1ccccc1CN(C)C(=O)Cn1c(CCC(=O)O)nc2c(Cl)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMTVGMQPPAESO-UHFFFAOYSA-N", "SMILES:CNC(=O)Cn1c(CCC(=O)O)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCJCVCDCXXTLAL-UHFFFAOYSA-N", "SMILES:CCNC(=O)Cn1c(CCC(=O)O)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYAKYTZNSALTRW-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2ccccc2c(=O)n1CC(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFYHKODWCWAON-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)Cn1c(CCC(=O)O)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIKQXYIZAGDHJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2ccccc2c(=O)n1CC(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBQNBGXHGPIQB-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2ccccc2c(=O)n1CC(=O)NCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZFFZTYIGSWGJT-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDAWUBHAXHSANV-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)Cn1c(CCC(=O)O)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQYSTVLFKCNSBW-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWILAKLQLRYGSI-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRMSMKGLZANYSL-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2ccccc2c(=O)n1CC(=O)NCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJSYHADCHJYBS-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Cn2c(CCC(=O)O)nc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEWKMWSGGUJKSL-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2ccccc2c(=O)n1CC(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWRJSQOMBVCCFC-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNC(=O)Cn1c(CCC(=O)O)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTIQDOAUPZPIIO-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)Cn1c(CCC(=O)O)nc2c(F)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNXJWPMGYMSMQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)Cn1c(CCC(=O)O)nc2c(C)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPROTLUCYGIJTN-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)Cn1c(CCC(=O)O)nc2c(Cl)cc(I)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNOAXKPONXGRFD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNC(=O)Cn1c(CCC(=O)O)nc2c(Cl)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVEGUGUDKSCXPT-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2c(Cl)cccc2c(=O)n1CC(=O)NCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJEUXRAEBATGBX-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2c(Cl)cccc2c(=O)n1CC(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHCIOXIFMBXND-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2c(Cl)cccc2c(=O)n1CC(=O)NCC1CCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICBFKGWSVGIEND-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1nc2c(Cl)cccc2c(=O)n1CC(=O)NCC1CCCO1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 16", "xref": ["CHEMBL.TARGET:CHEMBL4630865"], "id": "UniProtKB:Q9Y5T5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BRCA1-associated protein", "xref": ["CHEMBL.TARGET:CHEMBL5291566"], "id": "UniProtKB:Q7Z569", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIQRTTNBTVNSSP-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1586605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKIHJPWFXBXXSR-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5421978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGPZCURFVQQROL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2093745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWIPKFXVVRUWAM-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPMMVXVDFOMJD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOAWROZQSYNLA-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4793948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEASWMAWUWRMHZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNUGNUQAUNQKFG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBQBNCRTXEFSS-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZGCLADNOFJYMF-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCc1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWMHFMWLLCWPR-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRVACLLPXWQHJ-UHFFFAOYSA-N", "SMILES:O=C(CCc1c[nH]c2ccccc12)NNC(=O)CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOYNOLZZKCCHM-AJQTZOPKSA-N", "SMILES:CCCN1CCCCOc2cccc(c2)C[C@@H]([C@H](O)CNC(C)(C)c2cccc(OC)c2)NC(=O)c2cccc(c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBDNOWPWPVBZSU-URLMMPGGSA-N", "SMILES:COc1cccc(C(C)(C)NC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCNC(=O)c3cccc(c3)C(=O)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZTVKCJBGRXHN-XZWHSSHBSA-N", "SMILES:COc1cccc(C(C)(C)NC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCN(C)C(=O)c3cccc(c3)C(=O)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRADGLCPTLHEAC-IOWSJCHKSA-N", "SMILES:COc1cccc(C(C)(C)NC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCN(CCC(F)(F)F)C(=O)c3cccc(c3)C(=O)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBEPMPMHRMTCKS-JHOUSYSJSA-N", "SMILES:COc1cccc(C(C)(C)NC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCN(CC(C)(C)C)C(=O)c3cccc(c3)C(=O)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBAXMRVTIMLGI-JHOUSYSJSA-N", "SMILES:COc1cccc(C(C)(C)NC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCN(CCN(C)C)C(=O)c3cccc(c3)C(=O)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBRORTMADKIWQG-JHOUSYSJSA-N", "SMILES:CCCN1CCCCCOc2cccc(c2)C[C@@H]([C@H](O)CNC(C)(C)c2cccc(OC)c2)NC(=O)c2cccc(c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZASRRIQYBSWGO-XZWHSSHBSA-N", "SMILES:CCCN1CCOc2cccc(c2)C[C@@H]([C@H](O)CNC(C)(C)c2cccc(OC)c2)NC(=O)c2cccc(c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBKSTUMREALLDP-AJQTZOPKSA-N", "SMILES:CCCN1CCOCCc2cccc(c2)C[C@@H]([C@H](O)CNC(C)(C)c2cccc(OC)c2)NC(=O)c2cccc(c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYISSNTWJQZCHG-AJQTZOPKSA-N", "SMILES:CCCN1CCCCc2cccc(c2)C[C@@H]([C@H](O)CNC(C)(C)c2cccc(OC)c2)NC(=O)c2cccc(c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYBIHWRQNXYDCA-JHOUSYSJSA-N", "SMILES:CCCN1CCCCCc2cccc(c2)C[C@@H]([C@H](O)CNC(C)(C)c2cccc(OC)c2)NC(=O)c2cccc(c2)C1=O"]}
{"name": "Plasmepsin IV", "xref": ["CHEMBL.TARGET:CHEMBL1741262"], "id": "UniProtKB:Q8IM16", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLNPVWOJFFAITA-FTGWKDMZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C"]}
{"name": "GDNF family receptor alpha-like", "xref": ["CHEMBL.TARGET:CHEMBL5465268"], "id": "UniProtKB:Q6UXV0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVQBLUXOJPOFC-MMSOHGSPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIPJRVMXHZGMSD-HLCUQBAXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NCCCn1nnc2c1-c1ccccc1CN(C(=O)CCCNC(=O)CCCCC[N+]1=C(/C=C/C=C/C=C3/N(C)c4ccc(S(=O)(=O)O)cc4C3(C)C)C(C)(C)c3cc(S(=O)(=O)[O-])ccc31)c1ccccc1-2)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHVJTPYPUIHNLS-WLRLJWMZSA-N", "SMILES:CC(=O)N(CC#Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTMOLQULTUMAM-DOVSJBTNSA-N", "SMILES:CC(=O)N(CC#Cc1ccc(Cl)c(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAXOPGJZCFUMW-OTNPHJDUSA-N", "SMILES:CC(=O)N(CC#Cc1cc(C(N)=O)ccc1Cl)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWBWWXSANARIQL-IYERYRBDSA-N", "SMILES:CCC(=O)N(CC#Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHKWORYTIOVLB-NMIHRBCNSA-N", "SMILES:CC(C)(C)C(=O)N(CC#Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCNDJGGBSUREN-DFXJHMEVSA-N", "SMILES:NC(=O)c1cccc(C#CCN(C[C@H]2C[C@@H](n3ccc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)C(=O)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDWOMSRATGFYHP-KQPVPGJTSA-N", "SMILES:NC(=O)c1cccc(C#CCN(C[C@H]2C[C@@H](n3ccc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)C(=O)CC2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAYDKJARSAUEFP-DFXJHMEVSA-N", "SMILES:NC(=O)c1cccc(C#CCN(C[C@H]2C[C@@H](n3ccc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZZRMHNZPRSPIH-DWIQEWEKSA-N", "SMILES:NC(=O)c1cccc(C#CCN(C[C@H]2C[C@@H](n3ccc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)C(=O)CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQGPIBRLGHFZBM-ZDJNDTJBSA-N", "SMILES:NC(=O)c1cccc(C#CCN(C[C@H]2C[C@@H](n3ccc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)C(=O)C[C@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYHOSNPPJVYRW-QPPFVSFESA-N", "SMILES:NC(=O)c1cccc(C#CCN(C[C@H]2C[C@@H](n3ccc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)C(=O)CC2CCC(=O)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNIDBYYYCQWYSP-VTRRSTFPSA-N", "SMILES:NC(=O)c1cccc(C#CCN(C[C@H]2C[C@@H](n3ccc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)C(=O)CC2CNC(=O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVJTIIMLJZUJU-URHOCTSQSA-N", "SMILES:CCCC(=O)N(CC#Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPCORDKSVZEGTI-LPHRJVMESA-N", "SMILES:CCCCC(=O)N(CC#Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWOWIFWGZPHPSY-URHOCTSQSA-N", "SMILES:C#CCC(=O)N(CC#Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXOLXXJAPOQESQ-ADHNFCLRSA-N", "SMILES:CC(=O)c1cccc(C#CCN(C[C@H]2C[C@@H](n3ccc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVOMESNGLMDBFO-HVHOJJEHSA-N", "SMILES:CC(=O)N(CC#Cc1cccc2ccccc12)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWSACAAMXIQEI-DFXJHMEVSA-N", "SMILES:CC(=O)N(CC#Cc1ccc2ccccc2c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMRWHGKMWHFRG-BMZZKGLRSA-N", "SMILES:CC(=O)N(CC#Cc1ccc2nccc(N)c2c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWTRNTBAQNSZNA-DOVSJBTNSA-N", "SMILES:CC(=O)N(CC#Cc1ccc(F)c(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGJICSIIMEOCH-DOVSJBTNSA-N", "SMILES:CC(=O)N(CC#Cc1ccc(Br)c(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONBZNUXGFPJYOV-OTNPHJDUSA-N", "SMILES:CC(=O)N(CC#Cc1cc(Cl)cc(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNRXUVUXBGRCJO-DOVSJBTNSA-N", "SMILES:CC(=O)N(CC#Cc1ccc(C(F)(F)F)c(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWRSRJPJBPOMTP-CIQXWFTPSA-N", "SMILES:CC(=O)N(CC#Cc1ccc(C)c(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCSHJBQBKQGMNZ-OJWCNPDFSA-N", "SMILES:COc1ccc(C#CCN(C[C@H]2C[C@@H](n3ccc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)C(C)=O)cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBEBXTBCWYVLLB-SKBHOOIQSA-N", "SMILES:CC(=O)N(CC#Cc1ccc(O)c(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQULITUBXZXDKX-WLRLJWMZSA-N", "SMILES:CC(=O)N(CC#Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3c(C(F)(F)F)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSZHVMQHMJVGL-YSFYHYPLSA-N", "SMILES:CC(=O)N(CC#Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H](n2ccc3cncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSOXITYRWOMFC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c(NCCCCc2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQCUGQSKLCNUQT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c(NCc2ccccc2)cn1"]}
{"name": "Bifunctional peptidase and arginyl-hydroxylase JMJD5", "xref": ["CHEMBL.TARGET:CHEMBL4523396"], "id": "UniProtKB:Q8N371", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJPWNJAOQGIXRE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c(NCCc2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARDDSOTUUTCDQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c(NCCCc2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATJAYPPEKUTPIB-UHFFFAOYSA-N", "SMILES:CC(Nc1cnc(C(=O)O)cc1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKNEVPUFHBWHT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c(NCC2CCCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLTOQVPSWXCZNO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c(NCc2ccc(C(F)(F)F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRXQENHLNWKEGR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2cnc(C(=O)O)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQJVIWJRWILRPU-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNc1cnc(C(=O)O)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUYCLGIITHNPEH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c(NCc2ccccc2C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAEPGZOJNIDSPO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)O)c1Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKSJGHVFVQYVHW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)O)c1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVPHYWJVRHGVGN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)O)c1NCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTJPUSALDXSBZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2c(C(=O)O)ccnc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHCWCKVMCHDNKV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)O)c1NCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDRUEUIWFFDWNQ-UHFFFAOYSA-N", "SMILES:CC(Nc1c(C(=O)O)ccnc1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNDNNMYOLPOMRB-UHFFFAOYSA-N", "SMILES:CCC(Nc1c(C(=O)O)ccnc1C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRLGWFUSFECMP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)O)c1NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANGTTRUKKJGKI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)O)c1NCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXPDTRRFNURPSB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)O)c1NCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQUQLPYQQVCNF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(C(=O)O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMTWJDCPCBQOIJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSWIFYBYLNQSU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c(C(F)(F)F)cn1"]}
{"name": "Ribosomal oxygenase 2", "xref": ["CHEMBL.TARGET:CHEMBL5465328"], "id": "UniProtKB:Q8IUF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQOWCEJQEPFCBG-UHFFFAOYSA-N", "SMILES:C#CCN(CCCn1c(=O)n(CCC)c(=O)c2c1nc1cc(OC)ccn12)C(=O)c1ccc(S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQJPGXUBGVKCMG-UHFFFAOYSA-N", "SMILES:C#CCOc1ccn2c(c1)nc1c2c(=O)n(CCC)c(=O)n1CCCNC(=O)c1ccc(S(=O)(=O)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLWVIKZCWZSOF-UHFFFAOYSA-N", "SMILES:C#CCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGJUGOFAIPQXTD-MWSTZMHHSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C(C)n2nccn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHFSSAZDBIMKE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccccc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDBQTGNXAASSRC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccccc2F)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGAHUDRTROMWDA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXZREVVTALPCLJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccccc2Br)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNTAKRGFVUVOIL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccccc2C)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAHRCYFOKTMOG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccccc2OC)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJLPQHJEFXTDEY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccccc2-c2ccccc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJGLEYRUCQCWEW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2cccc(F)c2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCKIVYVINKLQK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2cccc(Cl)c2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWOMMSUEIOVCI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2cccc(Br)c2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICXWCBITQKROII-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2cccc(C)c2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFKABBMIUCLQZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2cccc(OC)c2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQRKBXBYLFHRKY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccc(F)cc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMYFUMGWBVWCSU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccc(Cl)cc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFXNRYOGPUIRES-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccc(Br)cc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHTNZBUIWXYODH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccc(C)cc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMTNEKMSBYLPGA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccc(OC)cc2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYAWULHTMKNSN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2c(F)cccc2F)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFHNPNISIBMWRR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2c(C)cccc2C)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNOSJBONZHCCCN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2cccc(F)c2C)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPRONANQXMWCP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2cccc(Br)c2C)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBZFYCNQSUHCSW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2cccc(C)c2Br)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKQHPWIDDWEPX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2ccc(Br)cc2C)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFXRWMDGHNWSH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2cccc(F)c2Cl)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVACCWNXMJKBW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(Nc2cc(OC)cc(OC)c2)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTTFVLDSGXCHBZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVSSARGCLOFHLD-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVQLDIXMMUOLZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJQGROICABBOFT-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMFCPLWLXJXIB-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJRYCZRDXGDDE-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDEUAGCGLONFRJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGFJVOABIJWRAH-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSXGOBBXZOGNV-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKNZCPGSNHQPC-OALUTQOASA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N[C@H]1CCCC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUZMBKGQKWJSD-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOZHOEIQFVNBHK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMVFRJPAHOTSM-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVWNZLUJTUPPS-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1NC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVXNGBVVWDXOG-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc(Nc3ccccc3Cl)nc2NCCCNC(=S)NCCC(=O)O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVVIHCLVLRBRAA-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)Nc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZLSBECWSHLMPH-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRUABSTURMZVPJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)Nc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHQVJPLNNCTRW-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVFPZHIGALOAEH-KRWDZBQOSA-N", "SMILES:C[C@H](NC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVFPZHIGALOAEH-QGZVFWFLSA-N", "SMILES:C[C@@H](NC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKUFINLZPLTWFZ-NRFANRHFSA-N", "SMILES:CC[C@H](NC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKUFINLZPLTWFZ-OAQYLSRUSA-N", "SMILES:CC[C@@H](NC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTEPZDOHLHNRGU-NRFANRHFSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRWWJYLWOIHOEZ-DEOSSOPVSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H](NC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRWWJYLWOIHOEZ-XMMPIXPASA-N", "SMILES:CC(C)(C)OC(=O)[C@H](NC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHYCCEDTBJLLJE-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)NC1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDSVCGRTLMSIGY-UHFFFAOYSA-N", "SMILES:CC(CCc1ccccc1)NC(=O)c1cnc(Nc2ccccc2Cl)nc1NCCCNC(=S)NCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCXGEHPPAARBP-PGRDOPGGSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N[C@@H]1C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RISVGWCFLKIQSW-KSFYIVLOSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N[C@@H]1C[C@H]1c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUGRSDTNXBWNT-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N1CCC(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUGRSDTNXBWNT-FQEVSTJZSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N1CC[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPRLYAAQTTYPMR-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N1CCCC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVNRUMSDRBCMI-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N1CCCC(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POMGZNBXQOCGEE-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N1CCC(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZCIEHFSSUGPDF-GGAORHGYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N[C@H]1c2ccccc2C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRMMEHBXFKPQNE-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)NCCc1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWZSUHVKPQVIU-LEEDBYTESA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN[C@@H](C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSXPSRVXNRUBAO-HSNGWMLHSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C)(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUANOMNJZUJBBW-ZFOACGMSSA-N", "SMILES:CCC(NCc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC)c(OC)c2)s1)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPVDFQGJKYMNFO-HSNGWMLHSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(CO)(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXGELKJOAZSEC-ZFOACGMSSA-N", "SMILES:COCC(NCc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC)c(OC)c2)s1)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQEUHMVXNPPABI-KHOVPCMASA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HISPQXKGBMUIPU-MTJYQENUSA-N", "SMILES:COc1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC)c(OC)c2)ccc1CNC(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFOKJLXHNZMBBY-DNHBMKCVSA-N", "SMILES:CCOc1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC)c(OC)c2)ccc1CNC(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKCVEJZPSJLERM-DMOKUUNGSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c(OCC3CC3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTLODWMIKFGTK-FVJYVREMSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(CO)(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c(OCC3CC3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEIWFVTAFVRHB-QVRIRJLUSA-N", "SMILES:CCOc1cc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN[C@@](CO)(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEIWFVTAFVRHB-QRBHCBQLSA-N", "SMILES:CCOc1cc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN[C@](CO)(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSEMPLIGOKISPC-VLXNSCPQSA-N", "SMILES:COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(CO)(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)cc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXEIWFVTAFVRHB-RSDZPJTLSA-N", "SMILES:CCOc1cc([C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CN[C@@](CO)(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTFMURTMKEYHN-QVRIRJLUSA-N", "SMILES:CCOc1cc([C@H](Cc2c(Cl)cncc2Cl)OC(=O)c2ccc(CN[C@@](CO)(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4078123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCOKFLIJBYERD-FPOVZHCZSA-N", "SMILES:CS(=O)(=O)N1CCC[C@H]1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTVYRGXACZGKJC-XCZPVHLTSA-N", "SMILES:CN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKRHQTNPJUCCTN-BXWFABGCSA-N", "SMILES:CC(C)(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKEBFQGBKOZBJM-DOXZYTNZSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDCXFDBQFFXWNJ-BZSNNMDCSA-N", "SMILES:CC(C)(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3427168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDHLZYPCVKECFG-ACRUOGEOSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVYQZTGJOVRJOO-FUDKSRODSA-N", "SMILES:CC(=O)Oc1cccc(COC(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVVOQZSWKRKBQX-BVBHFADKSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIPOLXXSPYNDW-HAGHYFMRSA-N", "SMILES:CC(C)(C)O[C@@H]1C[C@@H](C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)N(C(=O)OCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMPKLLIICJDHC-BJESRGMDSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQVFMMAZJYYHD-BZSNNMDCSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC2(CC2)CN1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGPMQMETJYONN-FHWLQOOXSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC2(CCC2)CN1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYFTZDRWXGWCFB-NFBCFJMWSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)C1CC2(CCCC2)CN1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZCPGFRAQGTOH-AHTKWCMKSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDONYKQHYQCNSU-LKGZUJRASA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)CNc3ccc(Cl)cc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEDRUGJGFIWQLF-QRTARXTBSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC2(CC2)CN1C(=O)COc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYDBFBHZYYSHN-UHBFJLORSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COC3CCCCC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNVTDRYCNJBAF-OEUJLIAZSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)CCC3CCCCC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIZOKTIWSFNXCV-NFBCFJMWSA-N", "SMILES:N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)C1CC2(CCCC2)CN1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPNCBLVRGKFGW-CTCAENTCSA-N", "SMILES:N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)C1CC2(CCCC2)CN1C(=O)OCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXRAUQHAHLJHH-MVWJYJSVSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N3CC4(CCCC4)CC3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRZGDDXBHZEIMG-KJMDXERQSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N3CC4(CCCC4)CC3C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIYHFCOLHSXFB-AHTKWCMKSA-N", "SMILES:N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL478401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMYXNKXJWIHOA-ACRUOGEOSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXAHMXYAYHWWRI-ZCTWNQIISA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PITKLFOQFHHLKV-LJQANCHMSA-N", "SMILES:O=C1C[C@]2(CN3CCC2CC3)Oc2cc3ccccc3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWFNSLITOYFEC-OAHLLOKOSA-N", "SMILES:O=C1C[C@]2(CN3CCC2CC3)Oc2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFCLZIJGNOFDCH-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN3CCC2CC3)Oc2c1ccc1ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFCLZIJGNOFDCH-LJQANCHMSA-N", "SMILES:O=C1C[C@]2(CN3CCC2CC3)Oc2c1ccc1ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLJIFNQAEUHJFJ-MRXNPFEDSA-N", "SMILES:COc1ccc2c(c1)O[C@]1(CC2=O)CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXWIZTZRMJZDN-OAHLLOKOSA-N", "SMILES:O=C1C[C@]2(CN3CCC2CC3)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDTVZADCVABOGM-MRXNPFEDSA-N", "SMILES:COc1cccc2c1C(=O)C[C@]1(CN3CCC1CC3)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDAFFAXWTWGST-MRXNPFEDSA-N", "SMILES:Cc1ccc2c(c1)O[C@]1(CC2=O)CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNLWJPUCGHNDA-LJQANCHMSA-N", "SMILES:O=C1C[C@]2(CN3CCC2CC3)Oc2cc(OCC3CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFCLZIJGNOFDCH-IBGZPJMESA-N", "SMILES:O=C1C[C@@]2(CN3CCC2CC3)Oc2c1ccc1ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGAAIKURPNIFBD-GQNCZFCYSA-N", "SMILES:Cc1cc2nc3c(nc2cc1C)[C@@H]1CCC(C3)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMMOOKOXPLBBKZ-PNBBGPGFSA-N", "SMILES:Cl.Clc1cc2nc3c(nc2cc1Cl)[C@@H]1CCC(C3)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFHGXLTPJHQHU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUOIVVIFZFBIH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1885464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSCZOLRGIESOU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1OC(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDILCVCXRKQWAG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)cc(C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBKKKHDMYSGBDG-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDQMCXRUJVWXIM-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJXBVMXOTFICHP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBHUFOGCJPUEPT-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1)Nc1cccc(-c2nc(-c3ccccc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASYYNELJFLMGGY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZRUGBAJXKDSD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZVOEMXHRHTJHP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(NC(=O)COc4cccc(C)c4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYCNSUVJYSECMO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4cccc(C)c4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWOXJRREDSHBJW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCIRRVGYLHFJEO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccccc4F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDBIQQFEXRTHIG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccncc4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZKFDHPHZGEYMK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccc(C)nc4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDSDDAAQNBGYIL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(OCC(=O)NCc4ccco4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPCIHDSWXBCHA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccc(OC)cc4)no3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTDDWZGVGGNBD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4cccc(OC)c4)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQERUANPGCSTEP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(OC)cc4)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVUBIPTDPPWKL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4cc(OC)ccc4OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHBOMMCWIAPXIS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccc(OC)cc4OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRRNUFQCQFVAPF-CQSZACIVSA-N", "SMILES:CNc1nc2sc(-c3cccc([C@@H](C)NC(=O)c4ccccc4S(C)(=O)=O)c3)nc2c2c1ncn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWOBGXMYAOACS-UHFFFAOYSA-N", "SMILES:Nc1nc(CSc2nnc(NCC3CCCC3)s2)nc(Nc2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLUNRZKTOSCDJH-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(Oc2ccc3[nH]ccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWNFBXPGNZJDQ-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(Oc2ccc3[nH]c(COCC(=O)O)cc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQFUBCAVNORBSG-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOAHQJLYDSAULT-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGFGLAJKHODMGZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(N)cc3OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNJSVMBMDESLB-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)nc2c(-c3cccc([N+](=O)[O-])c3)c(C(F)(F)F)[nH]n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQZNCNUQJFDAS-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2n[nH]c(N)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNQENBILSFKNN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4526283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYQNYIBIFOCPS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQXRHXESYEFJR-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4469750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRJKMJZLJRGQN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc(C#N)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRKURFKMANNMOY-OAHLLOKOSA-N", "SMILES:Fc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZDFDVIPCRRLMW-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Nc2cc(NC3CC3)c3ncc(C(N)=O)n3n2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314423", "category": ["biolink:ChemicalEntity"], "name": "ZASOCITINIB", "xref": ["InChIKey:BWINBHTTZLVXGT-NVXWUHKLSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12"], "synonym": ["Zasocitinib", "Zasocitinib", "Zasocitinib", "Ndi-034858", "Tak-279", "Zasocitinib", "NDI-034858", "NDI034858", "TAK-279", "TAK279", "Zasocitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHOPAPMJBSLFN-UHFFFAOYSA-N", "SMILES:O=C1COc2cc(C(=O)N(Cc3cccs3)C3CC3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTDBIVBSAFNBJ-PLCURSASSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(NC(=O)c2ccc(CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMURUEPQXKJIPS-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLGRGOGJTIXJGZ-UPVQGACJSA-N", "SMILES:CC(=O)N1CCC(N2C[C@@H]3C[C@@H](C2)c2ccc(-c4ccccc4CN4CCOCC4)c(=O)n2C3)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFTWJOGNIDLGNZ-ITJSPEIASA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTLBEUXZIPEGU-UHFFFAOYSA-N", "SMILES:Cn1nnc2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFFSMAXJXAKYIX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2nnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCHDDXSIGNVSLT-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)Nc2ccc3nnsc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIYNJRWBTXZLCM-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NC(=O)Nc2ccc3nnsc3c2)cc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSROILJGGYNAG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(NC(=O)Nc2ccc3nnsc3c2)cc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSROWDBLQLXAF-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2cc(NC(=O)Nc3ccc4nnsc4c3)cc(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYJJJKLCCXFULV-UHFFFAOYSA-N", "SMILES:N#CSc1cc(O)c2nc(N)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKBVGYWANONFTE-AREMUKBSSA-N", "SMILES:Nc1ncnc2c1ncn2Cc1cc(-c2ccc(F)c(F)c2)ncc1N1CCC[C@](N)(COC2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPJPZRUHVUFNAY-XMMPIXPASA-N", "SMILES:COC[C@@]1(N)CCCN(c2cnc(-c3ccc(F)c(F)c3)cc2Cn2cnc3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUEGZWGKKBGDBO-XMMPIXPASA-N", "SMILES:COC[C@@]1(N)CCCN(c2cnc(-c3cc(Cl)ccc3F)cc2Cn2cnc3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGOQICQTAGRMC-XMMPIXPASA-N", "SMILES:COC[C@@]1(N)CCCN(c2cnc(-c3ccc(F)cc3F)cc2Cn2cnc3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLGCCCLQJAMXCP-MUUNZHRXSA-N", "SMILES:COc1ccc(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)(COC4CCC4)C3)cn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITHSQHPTNJAHO-GBXCKJPGSA-N", "SMILES:Nc1ncnc2c1ncn2Cc1cc(-c2cc(F)c(F)cc2F)ncc1N1CCC[C@](N)([C@@H](O)C(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFXSVGCYBHXHR-SQJMNOBHSA-N", "SMILES:COc1cc(F)c(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)([C@@H](O)C(F)F)C3)cn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTLUETUADGHMMX-UHFFFAOYSA-N", "SMILES:Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)C2C(NCCNCCO)=CC=C(NCCNCCO)C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL554190", "category": ["biolink:ChemicalEntity"], "name": "QUINACRINE DIHYDROCHLORIDE", "xref": ["InChIKey:UDKVBVICMUEIKS-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXCSOWWDBANDF-LPFSXYLXSA-N", "SMILES:Cc1cc(CNCCCC(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRTKGOLGVZDDJM-HKBQPEDESA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDIKJIFCQAJLPD-UHFFFAOYSA-N", "SMILES:NCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL114644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIDRVLWOPFGWLW-UHFFFAOYSA-N", "SMILES:C(#Cc1ccc2[nH]ncc2c1)CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPFUGAPOSGQKS-UHFFFAOYSA-N", "SMILES:Fc1ccc(CC2CCN(CC#Cc3ccc4[nH]ncc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEWDUKPGOVUNO-UHFFFAOYSA-N", "SMILES:Fc1ccccc1CC1CCN(CC#Cc2ccc3[nH]ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAANGGYOBRGYMG-UHFFFAOYSA-N", "SMILES:C(#Cc1ccc2cn[nH]c2c1)CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCJQGRNQXUFHC-UHFFFAOYSA-N", "SMILES:Fc1ccc(CC2CCN(CC#Cc3ccc4cn[nH]c4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHAINNSFIDRLQB-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(C#CCN3CCC(Cc4ccccc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZXKIYFMDZWWTO-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(C#CCN3CCC(Cc4ccc(F)cc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDXPWKTWIPXKE-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(C#CCN3CCC(Cc4ccccc4)CC3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEARWYOPNFDRLM-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(C#CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCRPWUHISHLMA-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBJLZXDLNODEU-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDOQTCUPMYPFA-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(Cc2ccccc2F)CC1)c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLLHDEONAMMACT-UHFFFAOYSA-N", "SMILES:OC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCOBPFTHJKDJX-UHFFFAOYSA-N", "SMILES:OC(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPGKWMYSPGIBB-UHFFFAOYSA-N", "SMILES:OC(CCN1CCC(Cc2ccccc2F)CC1)c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPCMJFUWAFNPP-QPJJXVBHSA-N", "SMILES:C(=C/c1ccc2[nH]ncc2c1)\\CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDGXTWISDYJAZ-OWOJBTEDSA-N", "SMILES:Fc1ccc(CC2CCN(C/C=C/c3ccc4[nH]ncc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPCMJFUWAFNPP-DAXSKMNVSA-N", "SMILES:C(=C\\c1ccc2[nH]ncc2c1)\\CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDGXTWISDYJAZ-UPHRSURJSA-N", "SMILES:Fc1ccc(CC2CCN(C/C=C\\c3ccc4[nH]ncc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWJDWNCLKHIRQ-UHFFFAOYSA-N", "SMILES:c1ccc(CC2CCN(CCCc3ccc4[nH]ncc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMYSYWCRNURNJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CC2CCN(CCCc3ccc4[nH]ncc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVURZGAXWRWTCW-UHFFFAOYSA-N", "SMILES:Oc1ccc(C#CCN2CCC(Cc3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLLHDEONAMMACT-QFIPXVFZSA-N", "SMILES:O[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLLHDEONAMMACT-JOCHJYFZSA-N", "SMILES:O[C@H](CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEUDBDKHCOQCJL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGBNPMOLINUGOM-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1ccc(C(F)(F)F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKFWPMYIRJXAI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1cc(Br)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMQOAFVYXITDV-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1ccc(C(F)(F)F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWKOJCFXVMTLS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1cc(-c2cccc3ncccc23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFDFBMAYUGJTEX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(-c2ccc(Cl)c(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFQJXXSXHIWRFT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETMRTPAPWZCDC-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBIJFMKUGFGMM-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1c(Cl)cccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMEWBRTYWLDRCG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2ccc(Cl)c(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDNOUFLOVLDWSZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(Cl)c(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGQQVPGEQAKOA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ncc(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPVLHWWHLOPSX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2ncc(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTMTWKRSRMVSB-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2ncc(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIIVYQBHKYQELI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1cnc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUQXRRYVHCZAA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1cnc(-c2cccc(NS(=O)(=O)C3CC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHRTTZZKYPKRA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1cnc(-c2ccc(NS(=O)(=O)N3CCOCC3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFBFDRVGEREVFN-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccc(-c2ncc(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDRLYZZGXSWYBM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTNXGWNQDVYKQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nc(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSVSWAQVEIMKQG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ncc(C(=O)NCc3cn(-c4cc(Br)ccn4)nn3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPOVIZHNRNHFJO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ncc(C(=O)NCc3cn(-c4cc(F)ccn4)nn3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARUJVRWEJKETKN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nc(C(=O)NCc3cn(-c4cc(Br)ccn4)nn3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSMNXTKMGLFYJS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nc(C(=O)NCc3cn(-c4ccc(Br)cn4)nn3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNWLSSHDJFUMY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nc(C(=O)NCc3cn(-c4cccc(Br)n4)nn3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NACIYVIECUENOL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(-c2cc(Cl)ccn2)nn1)c1cc(-c2cccc3cc[nH]c23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMSVJWOHHPTIK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2ccc(Cl)c(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQXPVWZWEWDIHB-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(-c2ccc(Cl)c(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEWNWIMPOACEEC-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ncc(C(=O)NCc3cn(-c4cc(Cl)ccn4)nn3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDZZVWNMPVHOCA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ncc(C(=O)NCc3cn(-c4cccc(Br)n4)nn3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMEWQRZFOWPILP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nc(C(=O)NCc3cn(-c4cc(F)ccn4)nn3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL271462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTKVXLGNNGLLJ-UHFFFAOYSA-N", "SMILES:Clc1cccc(-n2cnnc2NCc2cccnc2N2CCCC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSZIHRCHUYDJD-UHFFFAOYSA-N", "SMILES:O=C1C=C(n2cc(CCCl)nn2)C(=O)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHDBGOTFRVUIU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1Cl)C1CCC(=O)N1c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMZGGKOETSVBSK-UHFFFAOYSA-N", "SMILES:O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(-c3ccc(CO)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3697519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXAHUBBXCYPAA-WBMJQRKESA-N", "SMILES:O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@@H]2CCC[C@H]1c1nnc(-c3ccc(F)cn3)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTALGWXQPDADO-INIZCTEOSA-N", "SMILES:Nc1nc2ccn(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSMRAGPBNANSC-KRWDZBQOSA-N", "SMILES:Nc1nc2ccn(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKLSPKTUYQAZHW-INIZCTEOSA-N", "SMILES:Nc1nc2ccn(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSKTOLBULFCQW-KRWDZBQOSA-N", "SMILES:Nc1nc2ccn(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOKJEAGHHMCMW-HNNXBMFYSA-N", "SMILES:Nc1nc2ccn(CCCCc3cc(F)c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYGPIXPXCENCU-ZDUSSCGKSA-N", "SMILES:Nc1nc2ccn(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQAHNHUMMCUWMX-AWEZNQCLSA-N", "SMILES:Nc1nc2ccn(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPZHEVFOCGGDJM-LBPRGKRZSA-N", "SMILES:Nc1nc2ccn(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3F)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXFZJYSMQZQEL-AWEZNQCLSA-N", "SMILES:Nc1nc2ccn(CCOc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZCXJUHJZQKEB-HNNXBMFYSA-N", "SMILES:Nc1nc2ccn(CCCOc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFWGEZIIJBHIFT-HNNXBMFYSA-N", "SMILES:Nc1nc2ccn(CCCSc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRAUADKOEAURAD-HNNXBMFYSA-N", "SMILES:Nc1nc2ccn(CCCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBENGLXKAUDADJ-HNNXBMFYSA-N", "SMILES:Nc1nc2ccn(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXSIQHYUGLGIP-HNNXBMFYSA-N", "SMILES:Nc1nc2ccn(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFUUPJRQECZTSB-LBPRGKRZSA-N", "SMILES:Nc1nc2ccn(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1"]}
{"name": "Serine hydroxymethyltransferase, cytosolic", "xref": ["CHEMBL.TARGET:CHEMBL1772927"], "id": "UniProtKB:P34896", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRLHCCHDAZYII-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYNDDXACQHHUHD-UHFFFAOYSA-N", "SMILES:CNC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIOIBRNCQVPHU-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N(C)C)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDSRTNGJPMODDW-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC5CCC5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZMUECMSYRUMS-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC5COC5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDQLYPXFXEZKL-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NS(C)(=O)=O)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTJLIWQEFENKJ-UHFFFAOYSA-N", "SMILES:CC(=O)NC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDCLYTLADAHRHB-UHFFFAOYSA-N", "SMILES:COCCNC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIPDVMHTIJJOID-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N5CCC5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRMAEJQLGNASMS-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N5CCCC5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTBFHSBOOZZAAM-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N5CCOCC5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVLRHACOUUDUCN-XICVLRSMSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N5C[C@@H](C)O[C@@H](C)C5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDOGDBITBOXKHW-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NCC(F)F)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVKFGSBWZTAPU-UHFFFAOYSA-N", "SMILES:CCNCC(=O)NC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJQUYMSJJCOQDR-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)CN(C)C)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEAISYLKENOCHT-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)CN5CCCC5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQISSFUPPYBAEU-AHTGFLRJSA-N", "SMILES:CN[C@H](C)C(=O)NC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQISSFUPPYBAEU-FMJDMSIASA-N", "SMILES:CN[C@@H](C)C(=O)NC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCFPBNBJAZIOH-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)CN5CCC5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDHEVHSEYQVPF-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NCC(=O)N(C)C)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSXCOJVRDNCPQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N5CCN(C)C(=O)C5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQOZGTLRERPTED-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N5CCN(C)CC5=O)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXDQXRVWDYGAHX-XPCYEKABSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)[C@H]5COCCN5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417170", "category": ["biolink:ChemicalEntity"], "name": "MHV-370", "xref": ["InChIKey:OXDQXRVWDYGAHX-SAVAPUMLSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)[C@@H]5COCCN5)(CC3)CC4)C2)c2cnn(C)c2n1"], "synonym": ["Mhv-370", "Mhv370"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTMIOIWDMKSAT-ZBOYTDAMSA-N", "SMILES:Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)[C@@H]5CNCCO5)(CC3)CC4)C2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXJDGIZZRMJON-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDAQCXAFSYLBX-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C(C)(C)c1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXCRRUERVFVAY-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)N1CCOCC1)c1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YROYKZOEGVJULT-UHFFFAOYSA-N", "SMILES:Cn1ccc(CCc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSQXMBXEWALYGG-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSXOPNBZDQPAC-UHFFFAOYSA-N", "SMILES:Cc1cnn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLKGHRGWPWHEFT-UHFFFAOYSA-N", "SMILES:Cc1cc(NCc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNUJGAJYQZMTE-UHFFFAOYSA-N", "SMILES:Cc1ncc(NCc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOUIASYWBDWHR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CNCC(F)(F)F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOHBSFGQVYMGV-UHFFFAOYSA-N", "SMILES:CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3898121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQGBVTXVOBDHIA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPFJKSJZHRSRX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)(F)F)C3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWWHLOAEJYJHX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(N3CCOCC3)C(F)(F)F)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQJZVOILCUNMH-UHFFFAOYSA-N", "SMILES:CC1CC=C(c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXKPRFNNYIOFOR-UHFFFAOYSA-N", "SMILES:COC1CC=C(c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYZRUMFCBLYQL-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXXKQUZSOUKVSV-UHFFFAOYSA-N", "SMILES:CC1CCN(c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWBKKVYIMWSRP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(N2CCOCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXZQCEALYSFOSC-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGNKKPFXZFEZKK-UHFFFAOYSA-N", "SMILES:Cc1cnn(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYMIKVZRZRLIV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJHKIOFUCCHDCY-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHNCVBBMZIXCFU-UHFFFAOYSA-N", "SMILES:Cc1ncc(CCc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCWBOUOXSCOKC-UHFFFAOYSA-N", "SMILES:Cn1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBFYMVPUAOLJNA-UHFFFAOYSA-N", "SMILES:CC(c1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1)c1cnn(CC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNPREMHRDMCOS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCNC(C(F)(F)F)C4)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHBZCBBTFHWIIY-UHFFFAOYSA-N", "SMILES:CC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIAIYDBFPDZPF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4109210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIAIYDBFPDZPF-GOSISDBHSA-N", "SMILES:Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCO[C@@H](C(F)(F)F)C4)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBWOWLBZUMVGMN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCOC(C5CC5)C4)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYSPTOVUHBTPP-UHFFFAOYSA-N", "SMILES:CC(C)C1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYQDEKLNOWFJOV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCOC(C(F)F)C4)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4111091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYWQIWONODXST-CWTRNNRKSA-N", "SMILES:C[C@@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFVREYWKWROYTA-UHFFFAOYSA-N", "SMILES:Cc1ccn(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVGCUPGIBWAQT-XFULWGLBSA-N", "SMILES:CCN1CCC[C@@H](Nc2cc(C)c(-c3ccc(C#N)cc3O)nn2)C1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXSGSFVFAHJDMK-OAHLLOKOSA-N", "SMILES:CCN1CCC[C@@H](Nc2ccc(-c3c(C)cc(C#N)cc3O)nn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOVCZAATIVOCN-NVXWUHKLSA-N", "SMILES:Cc1cc(C#N)cc(O)c1-c1ccc(N2CC[C@H]3CCN(C)C[C@H]32)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZAUDSVZINNTNL-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCC3CCN(C)CC32)nnc1-c1ccc(C#N)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZAUDSVZINNTNL-NVXWUHKLSA-N", "SMILES:Cc1cc(N2CC[C@H]3CCN(C)C[C@H]32)nnc1-c1ccc(C#N)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDJXFPLTVKYTGT-MRXNPFEDSA-N", "SMILES:CCc1cc(N[C@@H]2CCCN(CC)C2)nnc1-c1ccc(C#N)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCEHIDWONYOKOJ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCCOc4ccc(CC(=O)Nc5cc(C6CCC6)[nH]n5)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMYUYLNGGJVOE-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(Cl)c(F)cc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPJURVCZGVSTR-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(Br)c(F)cc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJOBXWRBDWHFEI-UHFFFAOYSA-M", "SMILES:Cc1cc(NC(=O)c2ccc(-n3ccc(C#N)c3)nn2)c(C(=O)[O-])cc1F.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWOITKYBQPGXKK-UHFFFAOYSA-M", "SMILES:COc1cc(NC(=O)c2ccc(-n3ccc(C#N)c3)nn2)c(C(=O)[O-])cc1F.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULTXOIIJEDHPOK-UHFFFAOYSA-M", "SMILES:C#Cc1cc(NC(=O)c2ccc(-n3ccc(C#N)c3)nn2)c(C(=O)[O-])cc1F.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWGYHVCMSWKZIP-UHFFFAOYSA-M", "SMILES:CC#Cc1cc(NC(=O)c2ccc(-n3ccc(C#N)c3)nn2)c(C(=O)[O-])cc1F.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKDXGQYBWFYPL-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(C#CC4CC4)c(F)cc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOQRPYYNTNBOGX-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(C4CC4)c(F)cc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSGLCJICFHPJHV-UHFFFAOYSA-M", "SMILES:C=Cc1cc(NC(=O)c2ccc(-n3ccc(C#N)c3)nn2)c(C(=O)[O-])cc1F.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTHUPUCIBWOLF-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(F)ccc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVVFQDQHMSANCV-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(F)c(Cl)cc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIIRJQDLYVIPIM-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(F)c(Br)cc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCVGCRVYEGJLIM-UHFFFAOYSA-M", "SMILES:COc1cc(C(=O)[O-])c(NC(=O)c2ccc(-n3ccc(C#N)c3)nn2)cc1F.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZIIPTATBDIBMU-UHFFFAOYSA-M", "SMILES:CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(-n3ccc(C#N)c3)nn2)cc1F.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGPEYANIVUGSI-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVEYLZGIUZSTFB-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(Cl)c(Br)cc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDPCWLFIWNLLO-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(Br)c(Cl)cc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFNDAYMDEOIFRI-UHFFFAOYSA-M", "SMILES:N#Cc1ccn(-c2ccc(C(=O)Nc3cc(Br)c(Br)cc3C(=O)[O-])nn2)c1.[Li+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUIRNECGYADBEK-UHFFFAOYSA-N", "SMILES:CCCn1c(NC(=O)c2cc(C)nn2C)nc2cc(C(N)=O)cc(OC3COC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLYEDWXPKDMNS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUCNVFCOCMZNQ-WFASDCNBSA-N", "SMILES:COc1ncc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2C[C@@H]2C[C@H]32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSKOIZKSZYGNN-YOEHRIQHSA-N", "SMILES:O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1[C@H]1C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSSHCJWSPTXFH-UHFFFAOYSA-N", "SMILES:O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1CC1CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGYCVECFBZDQQR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQZMHFUFHLUQNN-UHFFFAOYSA-N", "SMILES:COc1cc(COc2ccc3cc(CN(c4cc(-c5cc(OC6CCOCC6)c6ncnc(C)c6c5)cnc4OC)S(=O)(=O)c4ccc(F)cc4F)c(=O)oc3c2)c([N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBOZAUZAYJAQV-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1N(Cc1cc2ccc(O)cc2oc1=O)S(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJSMVYIYVBHGR-UHFFFAOYSA-N", "SMILES:CNc1nc(NCc2cccc(-c3ccc(=O)n(C)c3)c2)cc(-c2ccc(=O)n(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZTQKRWVLBDHSR-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccc(=O)n(C)c2)nc(NCc2ccc(OC(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPNKYBUPZELBK-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2ccc(=O)n(C)c2)nc(NCc2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIFVVUUGERXWIY-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYQHSPNAYLJRN-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUJNLCAPXPDFJD-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOBQBPWEZAJGQ-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(SC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTYBSMRNGDIQI-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMRGNSARQJDLM-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPAKNGUBVJPMDA-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMCSSRPTZLJPV-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTGGSCVIIRKEOU-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYLXPSCNTUSRW-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRNFDGGRPSGOTE-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKGRULUNCHTQJI-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1c(Br)cccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXNAMODSZDFGKT-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1cc(OC)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSSFSRDUSRBMJE-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQGNHWQIXYVJD-UHFFFAOYSA-N", "SMILES:CCOP(=O)(OCC)C(Nc1ccc(S(N)(=O)=O)cc1)c1cc(OC)c(OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1579806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AANJTRKLHIXTQA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5407282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRDKFVMJZGVDMM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(COc2ccc3c(c2)CCC3N2CC(C(=O)O)C2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMJDZVAODLVYQI-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(C2CCc3cc(OCc4ccc(C5CC5)c(C(F)(F)F)c4)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZHBMSUBZKMCGK-UHFFFAOYSA-N", "SMILES:O=C(O)C1CN(C2CCc3cc(OCc4cc(F)c(F)cc4F)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVGZLOUGHKUNE-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(C2CCc3c2ccc(OCc2c(Cl)cccc2Cl)c3F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWYCTNHWZMSFK-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2c(Cl)cccc2Cl)cc2c1C(N1CCC(C(=O)O)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOISNKMMARJMH-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2c(Cl)cccc2Cl)ccc2c1CCC2N1CCC(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKDGDVBWWLZAX-QXQHHZKDSA-N", "SMILES:CC#CC(=O)N1CC[C@H](n2ncc3c(O[C@@H](C)[C@@H]4CCCN4C)nc4c(F)c(-c5nccc6cccc(C#N)c56)c(Cl)cc4c32)C[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPQQUNFPQOUSP-VDAYNZGYSA-N", "SMILES:COC/C=C/C(=O)N1CC[C@H](n2ncc3c(O[C@@H](C)[C@@H]4CCCN4C)nc4c(F)c(-c5nccc6cccc(C#N)c56)c(Cl)cc4c32)C[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHVNKFDUHZECBC-PXMCIRSJSA-N", "SMILES:C=C(F)C(=O)N1CC[C@H](n2ncc3c(O[C@@H](C)[C@@H]4CCCN4C)nc4c(F)c(-c5nccc6cccc(C#N)c56)c(Cl)cc4c32)C[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHEGKPALLAFJCN-YADHBBJMSA-N", "SMILES:C=C(F)C(=O)N1CC[C@H](n2ncc3c(N4CC(N(C)CC)C4)nc4c(F)c(-c5c(C)c(C)cc6[nH]ncc56)c(Cl)cc4c32)C[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKIJQNOVRORLAY-OUTACKGESA-N", "SMILES:COC/C=C/C(=O)N1CC[C@H](n2ncc3c(O[C@@H](C)[C@@H]4CCCN4C)nc4c(F)c(-c5cccc6cccc(C#N)c56)c(Cl)cc4c32)C[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNMALJNXBUMRW-FPZUYOOISA-N", "SMILES:CC#CC(=O)N1CC[C@H](n2ncc3c(O[C@@H](C)[C@@H]4CCCN4C)nc4c(F)c(-c5cccc6cccc(C#N)c56)c(C)cc4c32)C[C@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPITILEMXABBK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1cc(C(C)C)c2cc(-c3ccc(C)c(N)n3)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMXFXJODPDSNG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1cc(C(C)C)c2cc(-c3cn(C)c(C(C)(C)O)n3)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPLSPGUZDMYKL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1cc(C(C)C)c2cc(-c3nc(C(C)(C)O)n(C)n3)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHGMLYGXHNZUJJ-MRXNPFEDSA-N", "SMILES:Cc1ccccc1-n1cc(C(C)C)c2cc(-c3cn(C)c([C@@H](C)O)n3)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQIBKKYBSKVEKJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1nc(C(C)C)c2cc(-c3cn(C)c(C(C)(C)O)n3)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMXFXJODPDSNG-UNLAWSRZSA-N", "SMILES:[2H]C([2H])([2H])n1cc(-c2cc3c(C(C)C)cn(-c4ccccc4C)c(=O)c3cc2F)nc1C(C)(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJWPAPMNXHSPK-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRSXLXHSSGYEIO-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYJOWDCKQBDBCN-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRFYBPHDZMWXHF-UHFFFAOYSA-N", "SMILES:N#C[Se]CC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVZKCIZTTAGQAG-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4cccc5ccccc45)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSGNBEZMOMZGFY-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc5ccccc5c4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFEYDCYKJGQGOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCC[Se]C#N)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVOLWVBVURZTLU-UHFFFAOYSA-N", "SMILES:Cc1cccc(OS(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCC[Se]C#N)cc2)=C3c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGWKTRJWNLPBC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OS(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDGAGJKIMWMKC-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(C(F)(F)F)cc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGLJZMXTFXNEW-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4cccc(C(F)(F)F)c4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLRQNIQCUBCOM-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4C(F)(F)F)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKFAFGDIDTVONL-UHFFFAOYSA-N", "SMILES:COc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCC[Se]C#N)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUECVMRVPWEILA-UHFFFAOYSA-N", "SMILES:COc1cccc(OS(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCC[Se]C#N)cc2)=C3c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAYUOIWYUPCYEJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1OS(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTVXZOKABNUBHQ-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(O)cc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORMAGHRPJVGPX-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4cccc(O)c4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCSQFUIBQWGHJM-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4O)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXSZCKUJMKNDBD-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(F)cc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOLQAWPWHBXPKM-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4cccc(F)c4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZIHHFXJZSVSJ-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4F)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTUCBLRJUFWIJA-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(Cl)cc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIRWYGXQFJNQV-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4cccc(Cl)c4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCNUKOCUTWJGPT-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4Cl)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYFZGUMAAHLGIM-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(Br)cc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UROHQLLNMBXKLE-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4cccc(Br)c4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCYDXCJTGPITA-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4Br)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBZYMMNEOKPYMZ-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCCOc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMWYXCFHBNCMK-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNOWWFFZVIZCH-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC[Se]C#N)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWBAEKXHBXMHS-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLOQRUZZFAXGEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCC[Se]C#N)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOQSIVGWYFTFIS-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBOEERHFMFXDU-UHFFFAOYSA-N", "SMILES:COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCC[Se]C#N)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJLPNDCINJFMSG-UHFFFAOYSA-N", "SMILES:CCN(c1cccc(OC)c1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOCFZKQTXWZDS-UHFFFAOYSA-N", "SMILES:COc1cccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCC[Se]C#N)cc2)=C3c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVMYNYQTBCHXGO-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1OC)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAEVCLQRQWHJNL-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(Cl)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSBDGYLKJYOMDX-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)N(CC(F)(F)F)c4ccc(Cl)cc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZOYSAWCKRPHD-UHFFFAOYSA-N", "SMILES:CCN(c1cccc(Cl)c1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZFOXLCUHGUKG-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)N(CC(F)(F)F)c4cccc(Cl)c4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSDVRZRGXSEGBZ-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1Cl)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLMQSDOOIREPW-UHFFFAOYSA-N", "SMILES:CCN(c1ccc(F)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAKXEHAYYCSFHP-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)N(CC(F)(F)F)c4ccc(F)cc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VERAJRDZPSGELR-UHFFFAOYSA-N", "SMILES:CCN(c1cccc(F)c1)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBCJKQCDSMPEI-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)N(CC(F)(F)F)c4cccc(F)c4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNVQSFVXDRGGF-UHFFFAOYSA-N", "SMILES:CCN(c1ccccc1F)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBCZFNCFEZWGPP-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)N(CC(F)(F)F)c4ccccc4F)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXIJXDZAIVNGQN-UHFFFAOYSA-N", "SMILES:N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)N(CC(F)(F)F)c4ccccc4)C2O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253811", "category": ["biolink:ChemicalEntity"], "name": "NORDEXFENFLURAMINE", "xref": ["InChIKey:MLBHFBKZUPLWBD-ZETCQYMHSA-N", "SMILES:C[C@H](N)Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USFUFHFQWXDVMH-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVTNTCYRWHASTQ-IYPUAYAFSA-N", "SMILES:O=C1[C@@H]2[C@@H]3C[C@@H](C[C@H]3O)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQAISOQWDQPOBX-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(-n3c(=O)[nH]c4sc5c(c4c3=O)CCCC5)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COOGQEYUFOAUFH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCn1ccc2cc(-n3c(=O)[nH]c4sc5c(c4c3=O)CCCC5)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTGHXCATDMELA-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)c(=O)c2c1c1c(=O)c3ccccc3c1n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRDMHRRFSZIICI-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)c2c3c(=O)c4ccccc4c3n(CCc3ccccc3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURDZKJXXTVWKE-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)c(=O)c2c1c1c(=O)c3ccccc3c1n2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHQOWFTKJLPON-UHFFFAOYSA-N", "SMILES:CC(C)n1c2c(c3c1-c1ccccc1C3=O)C(=O)C(Cc1ccccc1)(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWQJFUJHKJNOV-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Cc2c1c1c(n2CCc2ccccc2)-c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBGEDYTGXXMMX-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Cc2c1c1c(n2Cc2ccccc2)-c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOIVDCFVCNLNCO-UHFFFAOYSA-N", "SMILES:COc1cccc(CCn2c3c(c4c2-c2ccccc2C4=O)C(=O)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCCWMVJVFGZDBV-UHFFFAOYSA-N", "SMILES:O=C1CCCc2c1c1c(n2CCCc2ccccc2)-c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1957192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOUZORJPTHGIJA-UHFFFAOYSA-N", "SMILES:O=C1CCCc2c1c1c(n2CCc2ccccc2)-c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2141035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEXSEGXGNCSJRP-UHFFFAOYSA-N", "SMILES:CCN1CCCC1CNC(=O)c1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCQPTQZVHOHENE-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(CNCCc2c[nH]c3ccccc23)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQYFVZEPRTTED-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5414203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODXHDSJUJZCBR-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1csc(N2C(=O)CSC2c2ccc(OC)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEXPUMTSVOPEE-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1csc(N2C(=O)CSC2c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGAZSBILNKYGT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(N)c2C#N)cc1Oc1cccc(Br)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZAGRIBBPGYIHJ-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3ccccc3n2c1C(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHOQOQSRSPWRIE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCc1cn(CC(=O)c2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZCBKHXZKKUODB-UHFFFAOYSA-N", "SMILES:CC1=NN2CC1CN(C)CCCCNC(=O)c1nn(C)c3ccc(cc13)Nc1nccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGMLMRIPHRFGU-UHFFFAOYSA-N", "SMILES:Cc1nn2cc1CN(C)CCCCCNC(=O)c1nn(C)c3ccc(cc13)Nc1nccc-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZANSMJLRWEKCF-UHFFFAOYSA-N", "SMILES:Cc1nn2cc1CN(C)CCOCCNC(=O)c1nn(C)c3ccc(cc13)Nc1nccc-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYRHUYGKAQNSC-UHFFFAOYSA-N", "SMILES:Cc1nn2cc1CN(C)N1CC(CNC(=O)c3nn(C)c4ccc(cc34)Nc3nccc-2n3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBKSKFIPQUZAD-UHFFFAOYSA-N", "SMILES:Cc1nn2cc1CN(C)N1CCC(CCNC(=O)c3nn(C)c4ccc(cc34)Nc3nccc-2n3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VECWYUYACRLPAR-UHFFFAOYSA-N", "SMILES:Cc1nn2cc1CN(C)N1CCC(O)(CCNC(=O)c3nn(C)c4ccc(cc34)Nc3nccc-2n3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVDZYYETISHQR-UHFFFAOYSA-N", "SMILES:Cc1nn2cc1CN(C)CCOCCNC(=O)c1nn(CCO)c3ccc(cc13)Nc1nccc-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVIQQOLXXOYFIS-UHFFFAOYSA-N", "SMILES:Cc1nn2cc1CN(C)CCOCCNC(=O)c1nn(C3COC3)c3ccc(cc13)Nc1nccc-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVJCKFWQOCILO-MRXNPFEDSA-N", "SMILES:Cc1nn2cc1CN(C)CCOCCNC(=O)c1nn(C[C@@H](C)O)c3ccc(cc13)Nc1nccc-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVJCKFWQOCILO-INIZCTEOSA-N", "SMILES:Cc1nn2cc1CN(C)CCOCCNC(=O)c1nn(C[C@H](C)O)c3ccc(cc13)Nc1nccc-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHQRSCYXQFMZIP-UHFFFAOYSA-N", "SMILES:Cc1nn2cc1CN(C)CCOCCNC(=O)c1nn(CC(C)(C)O)c3ccc(cc13)Nc1nccc-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGUVCMRABKPEPL-UHFFFAOYSA-N", "SMILES:CC(=O)OCCn1nc2c3cc(ccc31)Nc1nccc(n1)-n1cc(c(C)n1)CN(C)CCOCCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLGUUGNWXTALK-UHFFFAOYSA-N", "SMILES:Cc1nn2cc1CN(C)CCOCCNC(=O)c1nn(CCOC(=O)C(C)(C)C)c3ccc(cc13)Nc1nccc-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVHNOKPYUNXOY-UHFFFAOYSA-N", "SMILES:CC(=O)OC(C)(C)Cn1nc2c3cc(ccc31)Nc1nccc(n1)-n1cc(c(C)n1)CN(C)CCOCCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPAVNUNUSEGKY-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(C)=O)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUHDGIBFOZZGCE-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)CC)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPPJOBNRNMKKHG-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)CCC)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYBURRZBLKMHFI-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNYWVIZKFVWOEZ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CCC2)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJLCJNIOTWOVEF-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)CC2CC2)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUEJODSMKWAJSK-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)OC)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHWUUGYJFDOHC-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cc2)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJEGPTWBDNCYNI-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBAJFFJMDUBIOP-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cccc(C)n2)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTZVLVAYWKODG-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(C)ccn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOBOVZMIAKRHSA-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(C)c(C)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBIYFZMJDNOCI-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cccc(OC)n2)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOVSFNIGPCYAHR-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(OC)ccn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBRPYHSZRBMMQB-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ccccn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKZNXLMNQUKGA-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAOWDGXBVQDDV-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2noc(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALRIKNFDJALGQ-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2noc(CNC)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHYMZJKRDFVXDT-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDNMOUNRJAVND-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(F)ccn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCFDRGMZPYCQCY-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cnc(C)cn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYHJFDXNZQFTO-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMBAKGPNMTACT-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(OCC)nn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJXYCLHGIQOPR-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(N3CCOCC3)cn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXGNMCYVVAUVDX-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)N)cn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVSZIUKIBYCERM-HPRDVNIFSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNZFGVWYSBSZTM-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)CC)cc1Nc1cccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPYQOWJSXEPHG-UHFFFAOYSA-N", "SMILES:CCOCCn1c(-c2ccc(N(CC)CC)nc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVQXCTHUGYABTF-UHFFFAOYSA-N", "SMILES:CCOCCn1c(-c2ccc(N(CC)CC)nc2)nc(Br)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGEQFFXQXISEGP-UHFFFAOYSA-N", "SMILES:CCOCCc1cccnc1-c1ccc(N(CC)CC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJPJBDNGAWVDBC-UHFFFAOYSA-N", "SMILES:CCOCCc1cc(Cl)cnc1-c1ccc(N(CC)CC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGDJWVNJMEKOD-UHFFFAOYSA-N", "SMILES:CCOCCc1c(-c2ccc(N(CC)CC)nc2)cnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYJJMZYEAPHETO-UHFFFAOYSA-N", "SMILES:CCOCCc1cc(-c2ccc(N(CC)CC)nc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNBQWUADVICEH-UHFFFAOYSA-N", "SMILES:CCOCCc1cc2ccccc2nc1-c1ccc(N(CC)CC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTCHWXGHDTCAL-UHFFFAOYSA-N", "SMILES:CCOCCc1c(-c2ccc(N(CC)CC)nc2)ncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHYUDKDENLARU-UHFFFAOYSA-N", "SMILES:CCOCCc1nc2ccccc2nc1-c1ccc(N(CC)CC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUHVLAPWCJIGR-UHFFFAOYSA-N", "SMILES:CCOCCc1c(-c2ccc(N(CC)CC)nc2)c(=O)n(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIOYVWCRXRRZAS-UHFFFAOYSA-N", "SMILES:CCOCCc1c(-c2ccc(N(CC)CC)nc2)c(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHLWWUYJIBLPKT-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2nc3ccccc3n2Cc2coc(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFHFJWZSUOZTR-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2nc3nccnc3n2Cc2coc(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGKGCPLZDTVQAE-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2nc3ncncc3n2Cc2coc(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHJFUORASOIQMT-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-n2nc3ccccc3c2Cc2coc(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNCFDGZTVJRDP-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2nn3ccccc3c2Cc2coc(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPSQXUANXHYCTA-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2nn3cccnc3c2Cc2coc(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOMDUDFJLFCZOJ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2nn3ccncc3c2Cc2coc(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZXRUDXLQSJJF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2nc3cccnn3c2Cc2coc(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUIHXLHQBMYWNH-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2nc3cnccn3c2Cc2coc(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAOZHDVAJBFXDT-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2nc3ncccn3c2Cc2coc(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDUZCCVKUDDEK-GJZGRUSLSA-N", "SMILES:Cc1nc(Cc2c(-c3ccc(N4[C@@H](C)CC[C@@H]4C)nc3)nc3cccnn23)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJBRLBOOAOAIGW-UHFFFAOYSA-N", "SMILES:Cc1ccc([N+](=O)[O-])c2c1NC(c1ccc(Br)cc1)=NO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJZTVPWVHZNOC-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDCUKTSXVKQGDA-QPEQYQDCSA-N", "SMILES:CC(C)N1C(=O)/C(=C/c2c[nH]c3ccccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXERCMIUMBELMQ-WDZFZDKYSA-N", "SMILES:CN1C(=O)/C(=C/c2c[nH]c3ccccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1624678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSZPPXEIDZEMS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(N3CCOCC3)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSTHTUXWDAZIDE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nnc3sc(-c4ccccc4Br)nn23)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAGNRQSMCYSOH-KPKJPENVSA-N", "SMILES:CCN1C(=O)/C(=C\\c2c[nH]c3ccccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBQBLVJLPQAYQY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNAKUMXCPXWHQF-XFFZJAGNSA-N", "SMILES:CN1C(=O)/C(=C/c2cc3ccccc3[nH]2)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOMLJIOFUOQOPT-XFFZJAGNSA-N", "SMILES:CN1C(=O)/C(=C/c2cn(C)c3ccccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBIDAEDHNMFICL-WAPJZHGLSA-N", "SMILES:CN1C(=O)/C(=C/c2c[nH]c3ncncc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGQNVOMRADIAE-POHAHGRESA-N", "SMILES:CN1C(=O)/C(=C/c2n[nH]c3ccccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXSGAZJWFPCFMR-POHAHGRESA-N", "SMILES:CN1C(=O)/C(=C/c2csc3ccccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFRTEROZFEHEV-UITAMQMPSA-N", "SMILES:O=C1NC(=S)N/C1=C\\c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFLIXOMVZXEVSS-POHAHGRESA-N", "SMILES:CN1C(=S)NC(=O)/C1=C/c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVICKPYODNYBN-XFFZJAGNSA-N", "SMILES:CCN1C(=O)/C(=C/c2n[nH]c3ccccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZRMGZLOJDWWFU-GHXNOFRVSA-N", "SMILES:O=C1/C(=C/c2n[nH]c3ccccc23)NC(=S)N1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJWAUAIXZPMNC-WQLSENKSSA-N", "SMILES:C#CCN1C(=O)/C(=C/c2n[nH]c3ccccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNAKMESTKMNKBS-WQLSENKSSA-N", "SMILES:C=CCN1C(=O)/C(=C/c2n[nH]c3ccccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTGBYLSNRBDAL-LCYFTJDESA-N", "SMILES:CC#CCN1C(=O)/C(=C/c2n[nH]c3ccccc23)NC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZLBIJRCAAIIQ-MUTBYWARSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNXDFCNCZJSMH-ARKLOZAXSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)c2ccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNLXQIXFMEJMK-FXNAQQOJSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCNC(=O)c2ccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGFPEFARZYBOEV-ZRADWQCJSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCNC(=O)c2ccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVDMNRIXHVDNLQ-GXSYQCEUSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)c2ccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKTBNRIAPSRNLT-INIVRFOBSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)c2ccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWJABVUBCJFJCX-SMICPIEHSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)c2ccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKZPOOWZQHZRSR-GZLRDZNMSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)c2ccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHUOQDLACSDLMI-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJWWQMXKKTYQNY-AJBULDERSA-N", "SMILES:N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1/N=C/c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYOKCFGVVAXKZ-QNKGDIEWSA-N", "SMILES:N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1/N=C/c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRPHTNVMGSIMD-HWLOXFRGSA-N", "SMILES:N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1/N=C/c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHWVUXIVBMIDH-QNKGDIEWSA-N", "SMILES:N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1/N=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTWGPCIQSQKDJK-KEIPNQJHSA-N", "SMILES:N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1/N=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAABNUNCMRMLPE-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSGCESJZYOGQF-STKMKYKTSA-N", "SMILES:N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1/N=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLCSQACOKCAVSX-FADJLKOXSA-N", "SMILES:COC(=O)c1ccc(/C=N/c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULMCDDXADXRRG-VULFUBBASA-N", "SMILES:COc1ccc(/C=N/NC2NC(SCC(C)C)=NC(c3ccc(OC)cc3)=C2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPVSBDPEJFTWSM-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Nc1nc(Nc2ccc(NC(=O)CN3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4107559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVXRMZCPKQLAO-OAHLLOKOSA-N", "SMILES:Cc1cnc2c(c1)nnn2-c1ccc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKCUFBFOVLETTI-OAQYLSRUSA-N", "SMILES:O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1nccc2c1CCCC2)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRBXQXDQYPJMG-GOSISDBHSA-N", "SMILES:Cc1ccnc(N(C(=O)c2ccc(-n3nnc4cccnc43)cc2)[C@@H]2CCCNC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVFTEMEYXHHJM-LJQANCHMSA-N", "SMILES:Cc1cccnc1N(C(=O)c1ccc(-n2nnc3cccnc32)cc1)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTAQSPQXNWIOK-QGZVFWFLSA-N", "SMILES:O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1C(F)(F)F)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODJOASJYJQNFZ-GOSISDBHSA-N", "SMILES:Cc1nccnc1N(C(=O)c1ccc(-n2nnc3cccnc32)cc1)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOVEUNTBAWPEV-HXUWFJFHSA-N", "SMILES:Cn1ccc2ccnc(N(C(=O)c3ccc(-n4nnc5cccnc54)cc3)[C@@H]3CCCNC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSOJMJZWXDOGF-LJQANCHMSA-N", "SMILES:Cn1ncc2ccnc(N(C(=O)c3ccc(-n4nnc5cccnc54)cc3)[C@@H]3CCCNC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFULSMZCWTWNHJ-LJQANCHMSA-N", "SMILES:O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1nccc2ccsc12)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAPGCMLFMDCNJN-QGZVFWFLSA-N", "SMILES:O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1OC(F)(F)F)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGGOSSQUDSSRI-LJQANCHMSA-N", "SMILES:O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1nccn1C1CC1)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXUVYPQBYUGXAY-OAQYLSRUSA-N", "SMILES:CCc1cccnc1N(C(=O)c1ccc(-c2cnn3cccnc23)cc1)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSSJBOKEKYRRLF-OAQYLSRUSA-N", "SMILES:O=C(c1ccc(-c2cnn3cccnc23)cc1)N(c1ncccc1C1CC1)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJUNURYXXENSZ-GOSISDBHSA-N", "SMILES:O=C(c1ccc(-c2cnn3cccnc23)cc1)N(c1ncccc1C(F)(F)F)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBEHIUMXYGATFX-XMMPIXPASA-N", "SMILES:O=C(c1ccc(-c2cnn3cccnc23)cc1)N(c1ncccc1-c1ccccc1)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILAVSMUDVZHSCG-LJQANCHMSA-N", "SMILES:COc1cccnc1N(C(=O)c1ccc(-c2cnn3cccnc23)cc1)[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKGHKCFCKOUIQ-CRAIPNDOSA-N", "SMILES:C[C@H]1CNC[C@H](N(C(=O)c2ccc(-n3nnc4cccnc43)cc2)c2ncccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKGHKCFCKOUIQ-MAUKXSAKSA-N", "SMILES:C[C@@H]1CNC[C@H](N(C(=O)c2ccc(-n3nnc4cccnc43)cc2)c2ncccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPILZLSNRMARV-CRAIPNDOSA-N", "SMILES:O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@H]1CNC[C@H](CO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIWAOCZQDKHGIP-YJBOKZPZSA-N", "SMILES:C[C@H](NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEHPANALJTLPJ-PZJWPPBQSA-N", "SMILES:CN(C)[C@H](CNC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYJHYCNQSAJXIQ-YJBOKZPZSA-N", "SMILES:C[C@H](OC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDJQLGWVEFARCL-PZJWPPBQSA-N", "SMILES:CN(C)[C@H](CNC(=O)O[C@H](c1ccccc1)C1CC1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEHPANALJTLPJ-FPOVZHCZSA-N", "SMILES:CN(C)[C@H](CNC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEHPANALJTLPJ-TZIWHRDSSA-N", "SMILES:CN(C)[C@@H](CNC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEHPANALJTLPJ-CTNGQTDRSA-N", "SMILES:CN(C)[C@@H](CNC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYJHYCNQSAJXIQ-QAPCUYQASA-N", "SMILES:C[C@@H](OC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYJHYCNQSAJXIQ-CRAIPNDOSA-N", "SMILES:C[C@@H](OC(=O)NC[C@@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJWETHIUZQSGZ-APWZRJJASA-N", "SMILES:C[C@H](CC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJWETHIUZQSGZ-LPHOPBHVSA-N", "SMILES:C[C@@H](CC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHEXTVMYVWYFRM-HOCLYGCPSA-N", "SMILES:C[C@@H](CC(=O)NC[C@H](Cc1c(F)cc(O)cc1F)N(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHCSLZBJYLQKQX-VCOUNFBDSA-N", "SMILES:CN(C)[C@H](CNC(=O)[C@@H]1C[C@@]1(C)c1ccccc1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYYYIRBLSXSARS-RRPUWOKSSA-N", "SMILES:Cc1cc(O)ccc1C[C@@H](CNC(=O)[C@@H]1C[C@@]1(C)c1ccccc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJJUNPLLEJOSRF-APTRMMRNSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)[C@@H]1C[C@@]1(C)c1ccccc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYNSBFCCSYXRP-UNMCSNQZSA-N", "SMILES:CN(C)[C@H](CNC(=O)N[C@@H](CC1CC1)c1ccccc1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZFVYVJGFIGPH-UNMCSNQZSA-N", "SMILES:CC(C)C[C@H](NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPXJROTBZABQG-FPOVZHCZSA-N", "SMILES:CC(C)[C@H](NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQSGTIKZYWTPK-PZJWPPBQSA-N", "SMILES:CN(C)[C@H](CNC(=O)N[C@H](c1ccccc1)C(C)(C)C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHCSLZBJYLQKQX-CZTZKLFOSA-N", "SMILES:CN(C)[C@H](CNC(=O)[C@H]1C[C@]1(C)c1ccccc1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHCSLZBJYLQKQX-RCZSKKKRSA-N", "SMILES:CN(C)[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDIMYHYEATTDO-LQBOVUBWSA-N", "SMILES:CN(C)[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Cc1ccc(O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL87796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSYFGBKMRXVJSG-VKHMYHEASA-N", "SMILES:N[C@@H](CCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKSZCCNTRXJJW-UHFFFAOYSA-N", "SMILES:CC(N)(CCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCPJILAXGXOVEH-UHFFFAOYSA-N", "SMILES:CCC(N)(CCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSLDBGANOBJZNN-UHFFFAOYSA-N", "SMILES:CCCC(N)(CCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1492424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXWBMZVLJCKHF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVIFIMXSNOJTKO-UHFFFAOYSA-N", "SMILES:O=C(O)CCCB(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQTXQNQUYSKAM-BYPYZUCNSA-N", "SMILES:N[C@@H](CCCB(O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRIHQACJFDJDK-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIBOKWZJKHHCS-UHFFFAOYSA-N", "SMILES:CC1C2=C(CC(C)(C)CC2=O)Nc2cc([N+](=O)[O-])ccc2N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCWOWEHYQQINPR-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHRBNEJLNJGJQW-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSWYJPIJMLKEKX-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEJBREJWBMIOPO-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYPWZAKWFJVEZ-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHWVTNJAWSCVKF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3cc([N+](=O)[O-])ccc3N2C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEYMAKSLGYRHS-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3cc([N+](=O)[O-])ccc3N2C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBKYUXODEIWMOH-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPUADEJJWCIPMV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMWLNXCUJGNLD-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHLPFARYCTNSX-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEISBBJHCPAHIH-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEQHCXXLKIUEAF-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQHGHKOECGCAM-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWFCICGHVBXPC-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URYMOUFVECQQIJ-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNOIPEXYJPOUNX-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPQYTDFVISYPY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2C3=C(CC(C)CC3=O)Nc3cc([N+](=O)[O-])ccc3N2C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZAVJXGFCEKBE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C3=C(CC(C)CC3=O)Nc3cc([N+](=O)[O-])ccc3N2C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBJGRTSVZCXGOO-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLWYQEAZQZXULI-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNMJYDMOARFFHV-UHFFFAOYSA-N", "SMILES:CC1CC(=O)C2=C(C1)Nc1cc([N+](=O)[O-])ccc1N(C(=O)CCl)C2c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOAAHRQSKSONTG-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1CN(C(=O)CCl)c1ccc([N+](=O)[O-])cc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBNQZDIGLBSMH-UHFFFAOYSA-N", "SMILES:CC1C2=C(CCCC2=O)Nc2cc([N+](=O)[O-])ccc2N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTLXUNDQIWCCCN-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(C1CC1)N(C(=O)CCl)c1ccc([N+](=O)[O-])cc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOZMVLBQPMKAO-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(C1CCC1)N(C(=O)CCl)c1ccc([N+](=O)[O-])cc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLDJMIQLLXLFR-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(C1CCCC1)N(C(=O)CCl)c1ccc([N+](=O)[O-])cc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPEFXSCBTQLRJT-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(C1CCCCC1)N(C(=O)CCl)c1ccc([N+](=O)[O-])cc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSZAXLADMFEDY-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccccc1)N(C(=O)CCl)c1ccc([N+](=O)[O-])cc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZDEICJYBPOQZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2C3=C(CCCC3=O)Nc3cc([N+](=O)[O-])ccc3N2C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVOIRUUXQXOBPL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C3=C(CCCC3=O)Nc3cc([N+](=O)[O-])ccc3N2C(=O)CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTDFPAGTAZMHX-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(OC(F)(F)F)cc1)N(C(=O)CCl)c1ccc([N+](=O)[O-])cc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOUNMAXSWHENZ-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(C(F)(F)F)cc1)N(C(=O)CCl)c1ccc([N+](=O)[O-])cc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSBUOZPGATNKI-UHFFFAOYSA-N", "SMILES:O=C1CCCC2=C1C(c1ccc(F)cc1F)N(C(=O)CCl)c1ccc([N+](=O)[O-])cc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAMYLBBQDOUJBO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)NC1=C(C(=O)CCC1)C(c1ccc(C(F)(F)F)cc1)N2C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXIKQECKJAAWLY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)NC1=C(C(=O)CCC1)C(c1ccc(C(F)(F)F)cc1)N2C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSGMXRLWNYCJPN-UHFFFAOYSA-N", "SMILES:CC(=O)CC(O)(CC(=O)O)C(=O)O.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDCYSZCZCABDQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C2CC2)c2ncc(CO)c(NCc3ccnc(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBYNWUNYUKOQW-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNc3c(CO)cnc4c(C5CC5)cc(C#N)cc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SODTVAIRVHVJBO-UHFFFAOYSA-N", "SMILES:N#Cc1cc(C2CC2)c2ncc(CO)c(NCc3ccc4c(c3)OCO4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLLRYLYFBSSHIK-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2c(CO)cnc3c(C4CC4)cc(C#N)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGBIHGKWPVSHSO-KBMKNGFXSA-N", "SMILES:[2H]C([2H])(Nc1c(CO)cnc2c(C3CC3)cc(C#N)cc12)c1ccc(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYDCSHMAJTDIG-UHFFFAOYSA-N", "SMILES:COc1ncc(CNc2c(CO)cnc3c(C4CC4)cc(C#N)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBAMOUNSSBPJZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc2c(C3CC3)cc(C#N)cc2c1NCc1ccc(OC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGJLZRYORTPJQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2c(CO)cnc3c(C4CC4)cc(C#N)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFZQHQAAATRIJ-UHFFFAOYSA-N", "SMILES:COc1cc(CNc2c(CO)cnc3c(C4CC4)cc(C#N)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4803806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAFDPMYETCYISS-UHFFFAOYSA-N", "SMILES:CC1NCCc2c1[nH]c1ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLVRVJKPFRWFJ-MRXNPFEDSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)NCCNC(=O)OC(C)(C)C)c2O)c(=O)c1=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEPJACCAWDWJHM-QGZVFWFLSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)CCNC(=O)OC(C)(C)C)c2O)c(=O)c1=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLREVNTLUJQNL-HHHXNRCGSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)NCCNC(=O)OCC3c4ccccc4-c4ccccc43)c2O)c(=O)c1=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLSBUWYGGSZAI-MUUNZHRXSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)NCCNC(=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)c2O)c(=O)c1=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWODWUTVASOFEU-XOBPEWDSSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)NCCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)c2O)c(=O)c1=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNHHCPBFZKIRHK-WUFNNDNKSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)NCCNC(=O)CNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)c2O)c(=O)c1=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEOSQTDOWDCAEV-FQIPFYJDSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)CCNC(=O)CNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)c2O)c(=O)c1=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKQRFPSBELBTCM-CQWHDJOUSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)NCCNC(=O)CCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)c2O)c(=O)c1=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNULHNJDCIVGAO-JAXRLVAPSA-N", "SMILES:CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)c2O)c(=O)c1=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXIUEIPPLAFSDF-ZDUSSCGKSA-N", "SMILES:CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPKKNBLBSMFFIU-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZECRCLSIGFCIO-RISCZKNCSA-N", "SMILES:C[C@@H](Oc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397686", "category": ["biolink:ChemicalEntity"], "name": "DIPHENYLENEIODONIUM CHLORIDE", "xref": ["InChIKey:FCFZKAVCDNTYID-UHFFFAOYSA-M", "SMILES:[Cl-].c1ccc2c(c1)[I+]c1ccccc1-2"]}
{"name": "G-protein coupled receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL4523856"], "id": "UniProtKB:P46089", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3306559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSLVOIOUANVYCJ-UHFFFAOYSA-N", "SMILES:C[n+]1cc2ccccc2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL504941", "category": ["biolink:ChemicalEntity"], "name": "PHENANTHRIDINE", "xref": ["InChIKey:RDOWQLZANAYVLL-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)cnc1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5410016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMDPNYROKZRER-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1652414", "category": ["biolink:ChemicalEntity"], "name": "BENZONAPHTHYRIDINE", "xref": ["InChIKey:SWJXWSAKHXBQSY-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)nnc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1721150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUUQWJODACKTPR-UHFFFAOYSA-N", "SMILES:CC1c2ccccc2-c2ccccc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL243580", "category": ["biolink:ChemicalEntity"], "name": "CARBAZOLE", "xref": ["InChIKey:UJOBWOGCFQCDNV-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5423221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFNYLCBOICQHOG-UHFFFAOYSA-N", "SMILES:C[N+]1(C)c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSBKTJPXNJTKL-UHFFFAOYSA-N", "SMILES:CN(C)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYCHYOCDXNXJE-UHFFFAOYSA-N", "SMILES:O=CNC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRSXGABFQJGWEJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)[S+]([O-])N=C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL219828", "category": ["biolink:ChemicalEntity"], "name": "DIBENZOTHIOPHENE", "xref": ["InChIKey:IYYZUPMFVPLQIF-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)sc1ccccc12"], "synonym": ["Dibenzothiophene", "NSC-2843", "Dibenzothiophene"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5405489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKJFYINYNJYDTA-UHFFFAOYSA-N", "SMILES:O=S1(=O)c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBVHWGKANITCQP-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATWJVPOUUOKSM-UHFFFAOYSA-M", "SMILES:O=S(=O)([O-])C(F)(F)F.c1ccc2c(c1)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4302860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYCLGFYWKWBFS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBULMJVTRSYGE-UHFFFAOYSA-M", "SMILES:Cc1ccc2c(c1)[I+]c1ccccc1-2.O=S(=O)([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFIRGFHXLNCSK-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc2c(c1)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4302437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKXOLSKFZCRGEX-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4300174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOINSLVIAOMBRI-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZNXQPBDXOZJP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc2c(c1)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHWHUAWZJTFAE-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDXKLYDMDNFCEV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2c(c1)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSWXVVKRDPJCD-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc2c(c1)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUMQHMDCZQAEHM-UHFFFAOYSA-N", "SMILES:FC(F)(F)COc1ccc2c(c1)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFUWILCIBGXUEB-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1F)-c1ccccc1[I+]2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGVMONMSAZUVLW-UHFFFAOYSA-N", "SMILES:Fc1cc2c(cc1F)-c1ccccc1[I+]2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCBSUPVCJRXHP-UHFFFAOYSA-N", "SMILES:Fc1cc2c(cc1C(F)(F)F)[I+]c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVXFEGVNHYNOA-UHFFFAOYSA-N", "SMILES:FC1(F)Oc2cc3c(cc2O1)-c1ccccc1[I+]3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSJWZOVEAHCBP-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc2c(c1)[I+]c1cc(OC(F)(F)F)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSJKMSEHNLBLG-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)[I+]c1cc(OC(F)(F)F)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMMXUJSTDZYJTH-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)[I+]c1cc(OC(F)(F)F)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLIQGHPNACIKJK-UHFFFAOYSA-N", "SMILES:Fc1cc2c(cc1F)-c1ccc(OC(F)(F)F)cc1[I+]2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4300028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMAQXLFANCOORG-UHFFFAOYSA-N", "SMILES:Fc1cccc2c1-c1ccccc1[I+]2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNLFHCPVTULKIV-VAWYXSNFSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL7747", "category": ["biolink:ChemicalEntity"], "name": "4-HYDROXYCHALCONE", "xref": ["InChIKey:PWWCDTYUYPOAIU-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1830281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUKWQOGFFWSECY-PKNBQFBNSA-N", "SMILES:O=C(/C=C/c1ccc2ncccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLVPQADGNKJBHA-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccc2cnccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLXNEWJONGNNEP-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc2cnccc2c1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANFUFDGYKFRFDC-VQHVLOKHSA-N", "SMILES:COc1ccccc1C(=O)/C=C/c1ccc2cnccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRFBDHGXICCQEL-SOFGYWHQSA-N", "SMILES:COc1cccc(O)c1C(=O)/C=C/c1ccc2cnccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYQZVJBVCFSTK-ZZXKWVIFSA-N", "SMILES:COc1ccc(O)c(C(=O)/C=C/c2ccc3cnccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEDYCROQIFKSBT-GQCTYLIASA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccc3cnccc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPARSZXXIGDWIS-GQCTYLIASA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccc3cnccc3c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXFCHHCZXYHAO-FNORWQNLSA-N", "SMILES:COc1cc(O)c(C(=O)/C=C/c2ccc3cnccc3c2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWMBVHICFAMJW-SOFGYWHQSA-N", "SMILES:COc1cccc(C(=O)/C=C/c2ccc3cnccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNGQMXCORXJHV-YCRREMRBSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZOOLIJQLLVWEY-QPJJXVBHSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQAQGEXWTJPBJS-XBXARRHUSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTTLGCWPOZQQQN-VQHVLOKHSA-N", "SMILES:COc1cccc(C(=O)/C=C/c2ccc3cnccc3c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUCMFMCWLSHCJQ-VMPITWQZSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPPBYMPTFKPJO-FNORWQNLSA-N", "SMILES:COc1cc(C(=O)/C=C/c2ccc3cnccc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1830282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRUSCYIWTRRNBN-VZUCSPMQSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1938880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXLBEUFENVCCIN-YCRREMRBSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc3nccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWGWJGYWSLCIO-KRXBUXKQSA-N", "SMILES:Nc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFXZPJVCCFWBLQ-YCRREMRBSA-N", "SMILES:CNc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMNSVINGWNJFM-ONNFQVAWSA-N", "SMILES:CN(C)c1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAKENYGUBHMML-WUXMJOGZSA-N", "SMILES:Nc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUGAIMYMFUOCEB-ONNFQVAWSA-N", "SMILES:Nc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUMKPAPQXBIUSL-KRXBUXKQSA-N", "SMILES:Nc1ccc(C(=O)/C=C/c2ccc3nccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2437372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDRYGIIYOPBBZ-XBXARRHUSA-N", "SMILES:COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5406557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTAAPQXRJYCNBO-VBHAUSMQSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCCNC(=N)NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOKMEBMJOQIKNH-ZDXOVATRSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCNC(=N)NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUCDYAEQINYDK-UMCMBGNQSA-N", "SMILES:COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=N)NC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc(C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277041", "category": ["biolink:ChemicalEntity"], "name": "METHYLTHIOADENOSINE", "xref": ["InChIKey:WUUGFSXJNOTRMR-IOSLPCCCSA-N", "SMILES:CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5428015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWBCQKTRPQYDQ-UHFFFAOYSA-N", "SMILES:O=C(NOCc1ccccc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVBUSPNPZYDPE-UHFFFAOYSA-N", "SMILES:CONC(=O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOSZFYMGXKNMJ-UHFFFAOYSA-N", "SMILES:O=C(NOCc1ccccc1)c1cccc(C(=O)NOCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTQPHITMOCDHQ-UHFFFAOYSA-N", "SMILES:CONC(=O)c1cccc(C(=O)NOC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSNQSIXYIEAOV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(C(=O)NOCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDKHRWQIXFACU-UHFFFAOYSA-N", "SMILES:CONC(=O)c1cccc(C(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223448", "category": ["biolink:ChemicalEntity"], "name": "BROXYQUINOLINE", "xref": ["InChIKey:ZDASUJMDVPTNTF-UHFFFAOYSA-N", "SMILES:Oc1c(Br)cc(Br)c2cccnc12"], "synonym": ["Broxyquinoline", "Broxyquinoline", "Broxiquinolina", "Starogyn", "NSC-1810"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL86754", "category": ["biolink:ChemicalEntity"], "name": "IODOQUINOL", "xref": ["InChIKey:UXZFQZANDVDGMM-UHFFFAOYSA-N", "SMILES:Oc1c(I)cc(I)c2cccnc12"], "synonym": ["Diiodohydroxyquinoline", "Diiodohydroxyquinoline", "Diiodohydroxyquinoline", "Diiodohydroxyquinoleine", "Diiodohidroxiquinoleina", "Diiodohydroxyquin", "Diodoquin", "Enterodiamoebine", "Iodoquinol", "Lanodoxin", "Searlequin", "Zoaquin", "NSC-8704", "SS-578", "Ioquin", "Quinadome", "Yodoxin", "Iodoquinol", "Iodoquinol"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL316892", "category": ["biolink:ChemicalEntity"], "name": "8-HYDROXY QUINALDINE", "xref": ["InChIKey:NBYLBWHHTUWMER-UHFFFAOYSA-N", "SMILES:Cc1ccc2cccc(O)c2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5408328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBYISCBRJOBPGP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(Cl)cc(Cl)c(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJDZVONZJIFSL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(Br)cc(Br)c(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTNDFRMSAOSIRS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(Cl)cc(I)c(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSZWIKHROWUNE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(I)cc(I)c(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYUIAQCECXDHN-UHFFFAOYSA-N", "SMILES:CONC(=O)c1ccc2cccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5265803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSFPRTGBGAXXIH-UHFFFAOYSA-N", "SMILES:O=C(NOCc1ccccc1)c1ccc2cccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGBOMUSLUSLDRJ-UHFFFAOYSA-N", "SMILES:O=C(NOCc1ccccc1)c1ccc2c(Br)cc(Br)c(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKQXDHXQSILJA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc2ccc(C(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKDJWDPDARQWIM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2cccc(NS(C)(=O)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCWDLMKGYPCUSF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIAAGYRBQKNAAU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)c3cccc(F)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1321754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXWWCFNPCYOVOT-UHFFFAOYSA-N", "SMILES:Cc1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPUJLYMSUURPV-UHFFFAOYSA-N", "SMILES:Cc1ccc2cccc(NS(=O)(=O)c3cccc(F)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBICACHAEWARBZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc2cccnc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLTLJSURKGTADB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2cccc(NS(=O)(=O)c3cccc(F)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGXELLHJLGYNS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)C(F)(F)F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOJPABECAQUJW-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNLVSBBABSURJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2cccc3ccc(C(=O)O)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNZEIUPHBPJCO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)c3cccc4cccnc34)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYJUNSCNPKAQX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRHNSGKFNHCEH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)c3ccccc3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDYLZUEFCKDAX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFVALQBDGMWPS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHAMZYXMSNFAFQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPCWVNMJCNXJD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)Cc3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYYMGSTVXNKGDA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQNNGIBVRNABEV-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1S(=O)(=O)Nc1cccc2ccc(C(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMIKVVMSSOIGV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2cccc(NS(=O)(=O)c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAUDQQCHQKHASH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(I)c2ccc(C(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEECUMCHPGTDME-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cc(Cl)c(Cl)c2ccc(C(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTNUXGZIGPLVCT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc2c(Cl)cc(C(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCACROBJBSFKD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc(-c2cccc(N)c2)c2ccc(C(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSDPUHQSDDRLLO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc2c(-c3cccc(N)c3)cc(C(=O)O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMVCYCXQXRLNG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(Cl)ccc(NS(=O)(=O)c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZFAMJPOAOSCJZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(Cl)c(Cl)cc(NS(=O)(=O)c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMAMUVOWFLONY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)c2cccc(NS(=O)(=O)c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSBXSUHBZWWIJQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccccc2)c2cccc(NS(=O)(=O)c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRWUOEOTYLNWQY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(-c3ccccc3)ccc(NS(=O)(=O)c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQBEDJPKLXGNR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(F)c2)c2cccc(NS(=O)(=O)c3ccccn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJHXNAXTSQPPSD-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cc(C(=O)O)nc3c(NS(=O)(=O)c4ccccn4)cccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYVPXCNOMCMGIC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2ccc3c(c2n1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGPFROMPLGBMY-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1ccc(COc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXEPPXMJHUHZMH-DEOSSOPVSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)c1ccc(COc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXSEZMVRJLHQG-XMMPIXPASA-N", "SMILES:OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXUSUTYFCQROPU-UHFFFAOYSA-N", "SMILES:NC(=O)CNCc1ccc(COc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKFQRUXRAJFRN-RUZDIDTESA-N", "SMILES:NC(=O)[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXORWILICKOUNI-QGZVFWFLSA-N", "SMILES:O=C(c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1)N1CCC[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDLJJNAQENQPOI-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXORWILICKOUNI-KRWDZBQOSA-N", "SMILES:O=C(c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1)N1CCC[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJLWNREUTVKJU-QGZVFWFLSA-N", "SMILES:NC(=O)[C@H]1CCCN1C(=O)c1ccc(OCc2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACESWRXKALYOHH-QGZVFWFLSA-N", "SMILES:O=C(c1ccc(OCc2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1)N1CCC[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXSEZMVRJLHQG-DEOSSOPVSA-N", "SMILES:OC[C@@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHBMGRPVCCISJ-HSZRJFAPSA-N", "SMILES:O=C(c1ccc(COc2cccc(OCc3ccccc3)c2)cc1)N1CCC[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXEPPXMJHUHZMH-XMMPIXPASA-N", "SMILES:NC(=O)[C@H]1CCCN1C(=O)c1ccc(COc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQKGURDIDUWQD-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1ccc(COc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWONNCHJQBLAJ-UHFFFAOYSA-N", "SMILES:NC(=O)CNC(=O)c1ccc(COc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUNPWBGJIQICBE-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1ccc(OCc2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACESWRXKALYOHH-KRWDZBQOSA-N", "SMILES:O=C(c1ccc(OCc2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1)N1CCC[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3815224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTWCULNGBZCYBX-OALUTQOASA-N", "SMILES:CCCCCOc1ccc2cc(-c3noc([C@@H]4[C@@H](O)CCN4C(=N)N)n3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLHUVNSHNGECCL-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2ccc[nH]2)c2ccccc2N1c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKCJLDQWTIHECX-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2c[nH]c3ccccc23)c2ccccc2N1c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINXZFCFHJEMFK-UHFFFAOYSA-N", "SMILES:O=C1C(Cc2cccn2Cc2ccccc2)c2ccccc2N1c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAUCCXFQOVQICG-UHFFFAOYSA-N", "SMILES:C#CCn1cccc1CC1c2ccccc2N(c2c(Cl)cccc2Cl)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REOGJIPYECIRJK-UHFFFAOYSA-N", "SMILES:C=CCn1cccc1CC1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYGNZIHSNBDXBM-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1cccc1CC1c2ccccc2N(c2c(Cl)cccc2Cl)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLYXYXENKIRNQ-UHFFFAOYSA-N", "SMILES:Oc1c(Cc2cn(Cc3ccccc3)c3ccccc23)c2ccccc2n1-c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYEHWBBVFVZXBC-UHFFFAOYSA-N", "SMILES:C=CCn1cc(Cc2c(O)n(-c3c(Cl)cccc3Cl)c3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHHMGGFHDNJFHX-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1cc(Cc2c(O)n(-c3c(Cl)cccc3Cl)c3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVZZGGBGOZNDF-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1cccc1Cc1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATTNXHWWOOASAX-UHFFFAOYSA-N", "SMILES:O=C(O)Cn1cc(Cc2c(O)n(-c3c(Cl)cccc3Cl)c3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBBNUVDHUTWUNP-UHFFFAOYSA-N", "SMILES:COc1cc(CC2C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQCGDGTVFJZDC-UHFFFAOYSA-N", "SMILES:C#CCn1cc(Cc2c(O)n(-c3c(Cl)cccc3Cl)c3ccccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCPHAVJPVXFEIM-UHFFFAOYSA-N", "SMILES:Cn1c(CC2CCN(c3nc(OCc4ccc(Cl)cc4F)ncc3F)CC2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEABKMQTSOAFG-UHFFFAOYSA-N", "SMILES:Cn1c(CC2CCN(c3nc(OCc4ccc(Cl)cc4F)ncc3F)CC2)nc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCIBLAYPZMWCCO-OAQYLSRUSA-N", "SMILES:O=C(O)c1ccc2nc([C@H]3CC34CCN(c3nc(OCc5ccc(Cl)cc5F)ncc3F)CC4)n(CC3CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCIBJSCBSZBLN-HXUWFJFHSA-N", "SMILES:COCCn1c([C@H]2CC23CCN(c2nc(OCc4ccc(Cl)cc4F)ncc2F)CC3)nc2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBBIXOMTECGKFY-HXUWFJFHSA-N", "SMILES:Cn1cnnc1Cn1c([C@H]2CC23CCN(c2nc(OCc4ccc(Cl)cc4F)ncc2F)CC3)nc2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRPGLWPDAXUJCP-JOCHJYFZSA-N", "SMILES:Cn1cncc1Cn1c([C@H]2CC23CCN(c2nc(OCc4ccc(Cl)cc4F)ncc2F)CC3)nc2ccc(C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WILKMUORCUNTDL-HXUWFJFHSA-N", "SMILES:O=C(O)c1ccc2nc([C@H]3CC34CCN(c3nc(OCc5ccc(Cl)cc5F)ncc3F)CC4)n(Cc3ncco3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGJWSPKUAKTYJQ-NHCUHLMSSA-N", "SMILES:O=C(O)c1ccc2nc([C@H]3CC34CCN(c3nc(OCc5ccc(Cl)cc5F)ncc3F)CC4)n(C[C@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQEUFNYUSAFCLU-FCHUYYIVSA-N", "SMILES:O=C(O)c1ccc2nc([C@H]3CC34CCN(c3nccc(OCc5ccc(Cl)cc5F)n3)CC4)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCFODPZJERXIBU-LEWJYISDSA-N", "SMILES:O=C(O)c1ccc2nc([C@H]3CC34CCN(c3ncc(F)c(OCc5ccc(Cl)cc5F)n3)CC4)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYIQMGTWXWXQV-RBUKOAKNSA-N", "SMILES:O=C(O)c1ccc2nc([C@H]3CC34CCN(c3nc(OCc5ccc(Cl)cc5F)ncc3F)CC4)n(C[C@@H]3CCO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNKAOBJKYBEBGP-BJKOFHAPSA-N", "SMILES:N#Cc1ccc(COc2cccc(N3CCC4(CC3)C[C@@H]4c3nc4ccc(C(=O)O)cc4n3C[C@@H]3CCO3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSGIYCSDGYUAQ-XZOQPEGZSA-N", "SMILES:N#Cc1ccc(COc2nc(N3CCC4(CC3)C[C@@H]4c3nc4ccc(C(=O)O)cc4n3C[C@@H]3CCO3)ccc2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTRXNBZDXUVIA-XZOQPEGZSA-N", "SMILES:N#Cc1ccc(COc2ccc(F)c(N3CCC4(CC3)C[C@@H]4c3nc4ccc(C(=O)O)cc4n3C[C@@H]3CCO3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZGLZLCHQLMRQY-FCHUYYIVSA-N", "SMILES:N#Cc1ccc(COc2nc(N3CCC4(CC3)C[C@@H]4c3nc4ccc(C(=O)O)cc4n3C[C@@H]3CCO3)c(F)cc2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPWCVBVYNMMPLT-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC23CCN(c2nc(OCc4ccc(Cl)cc4F)ncc2F)CC3)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPVFVJETAHTJT-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC23CCN(c2nc(OCc4ccc(Cl)cc4F)ncc2F)CC3)nc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRLUSRJVJXAEHY-UHFFFAOYSA-N", "SMILES:Fc1cc(Cl)ccc1COc1ncc(F)c(N2CCC3(CC2)CC3c2ccc3cccnc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPVFVJETAHTJT-QGZVFWFLSA-N", "SMILES:Cn1c([C@H]2CC23CCN(c2nc(OCc4ccc(Cl)cc4F)ncc2F)CC3)nc2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMSIOPOSCRPOV-UHFFFAOYSA-N", "SMILES:CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(C(=O)CCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)ncn4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGDUMVWFYAQVQL-UHFFFAOYSA-N", "SMILES:CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(C(=O)CCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)ncn4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4759913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMZGXNVTQEADN-UHFFFAOYSA-N", "SMILES:CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(C(=O)CCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)ncn4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFBXATAQNVOAEK-UHFFFAOYSA-N", "SMILES:CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(C(=O)CCOCCOCCNc6cccc7c6C(=O)N(C6CCCNC6=O)C7=O)CC5)ncn4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4749032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIJLRBEKLCOTC-UHFFFAOYSA-N", "SMILES:CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(C(=O)CCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)ncn4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGRYBJBOSXMHE-UHFFFAOYSA-N", "SMILES:CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(C(=O)CCOCCOCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)ncn4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4799229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMLMCFUMPUUNG-UHFFFAOYSA-N", "SMILES:CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(C(=O)CCOCCOCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)ncn4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOHMKWARLLSFY-VWVWLQDFSA-N", "SMILES:Cc1ncsc1-c1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)CCOCCOCCOCCC(=O)N2CCN(c3cc(-c4n[nH]c5ccc(OC6(C)CC6)cc45)ncn3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDLVHMDSBEBKM-LTFGGENQSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)N2CCN(c3cc(-c4n[nH]c5ccc(OC6(C)CC6)cc45)ncn3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEZJPXVQAYNMGX-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTUSHRRTGGGTD-CYBMUJFWSA-N", "SMILES:O=c1nc(N2CC[C@@H](F)C2)c2ccc(Cl)cc2n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMGAADQKLIBRB-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-n3cc4cnc(NCC(F)(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXRSIUNAVCSATM-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2c(C(=O)Nc3ccc4n[nH]cc4c3)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYSDMQAUXHHEFN-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2c(C(=O)Nc3ccc4nn(C)cc4c3)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRSNURHSTNOQHK-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(C(=O)Nc3ccc4[nH]ncc4c3)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDLJZBMFRQLCM-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(C(=O)Nc3ccc4nn(C)cc4c3)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHXMYJWACAHAQ-UHFFFAOYSA-N", "SMILES:CCn1cc2cc(NC(=O)c3cc(C4CC4)nc4c3cnn4CC)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPHBCODMNKDLQ-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2c(C(=O)Nc3ccc4ncccc4c3)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPJQITYCOINOO-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(C(=O)Nc3ccc4nn(C)c(C)c4c3)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEUYJCWFRXMAQM-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(C(=O)Nc3ccc4ncccc4c3)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXUOQWTKWASNE-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(C(=O)Nc3ccc4c(c3)ncn4C)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTPFLBYDVROFRZ-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(C(=O)Nc3ccc4ncn(C)c4c3)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDGQNFYDLWISW-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(C(=O)Nc3ccc(OC)cc3)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZOVGTBZMJCLFO-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(C(=O)Nc3ccc4ncsc4c3)cc(C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUOZYKNSMNFNT-UHFFFAOYSA-N", "SMILES:COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccccc4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1573144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWMRZPZVODSGTH-UHFFFAOYSA-N", "SMILES:COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(C)cc4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1449820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUBMNMRGAUHOR-UHFFFAOYSA-N", "SMILES:COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Cl)cc4)c3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1362902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIPRAFIKGBYDDD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c(cc(C)[n+]2[O-])oc2ccc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVCMXVWJKVQIS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUDSDEKTPDXOGR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCOCC4)c(OC)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQOEXINFLDKTE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCOCC4)cc3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEUXKVWKZQUBQU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCOCC4)c(OCC)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTDSWZCNBJHUFR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCOCC4)c(CO)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYZVUGQJVYMELX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZATXJDPGDNLR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCCN(C)CC4)c(OC)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCDOVOEOXRTJU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCN(C5COC5)CC4)c(OC)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHZSVBBIKYBRY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCC(O)CC4)c(OC)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCADWQNQNIQGL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIFTROVGQFZKB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFQRBKCNXHWIMO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXLNVCGVMPPGB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHLLGPHCXLSMD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJNHEXIICSFZGF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCDHPPZHAPYIDE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWKWMAAIKVQNS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3cc(OC)cc(N4CCOCC4)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECRSWGIZQMLLP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCOCC4)c(OC(C)C)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPDNBSKTHXXTQV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCOCC4)c(NC(C)=O)c3)c(C(N)=O)c3nccn23)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCBGQRVTFGJKDF-FCEWJHQRSA-N", "SMILES:C#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROKMUCPLTAZLES-SJORKVTESA-N", "SMILES:C#C[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJCDFQFXAIJBFI-BBRMVZONSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)CCC(N)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPXAJHXCDHFFEC-JWSDNSILSA-N", "SMILES:CNS(=O)(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLSXNEOIZNGIMA-PBHICJAKSA-N", "SMILES:C#C[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTSPHGWUSPONR-ZTFIZQGXSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/C(=O)OCc1ccccc1)CCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNUMKBHURGKYTO-JWSDNSILSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJKWIOPYWXXOOA-FQMQPWHVSA-N", "SMILES:C#CC[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#C)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGYBGTWFPPSGNW-FQMQPWHVSA-N", "SMILES:C#CC[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#CC(F)(F)F)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFCCLEWBAGSLFT-PRIMNGNOSA-N", "SMILES:CCCCC#Cc1nc(N)c2nc(-c3ccco3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOQZOGKNUADFRH-CBLJQSSYSA-N", "SMILES:CCCCC#Cc1nc(NC)c2nc(-c3ccco3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJWNWHKUOZZNRL-CBLJQSSYSA-N", "SMILES:CCCCC#Cc1nc(NC)c2nc(-c3cccs3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPMEQMBDQUCKT-NDKUEENFSA-N", "SMILES:CCCCC#Cc1nc(NCc2cccc(I)c2)c2nc(-c3cccs3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLNRKLEXXPAHH-PRIMNGNOSA-N", "SMILES:CCCCC#Cc1nc(N)c2nc(-c3cccs3)n([C@@H]3SC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBTDHRMFLGVKNZ-XIGBOZDYSA-N", "SMILES:Nc1nc(Cl)nc2c1nc(-c1ccco1)n2[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDPVXTZPTZXLH-KPAZRMRSSA-N", "SMILES:O[C@@H]1[C@H](O)CS[C@H]1n1c(-c2ccco2)nc2c(NCc3cccc(I)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YREJGOVMVZFJDC-XIGBOZDYSA-N", "SMILES:Nc1nc(Cl)nc2c1nc(-c1cccs1)n2[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHICLAZXDLRRFW-SOIKWTOOSA-N", "SMILES:CNc1nc(NCCc2ccc(O)cc2)nc2c1nc(-c1ccco1)n2[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKKJGGYJHRJNY-OWDMVUQNSA-N", "SMILES:Nc1nc(NCCc2ccc(O)cc2)nc2c1nc(-c1cccs1)n2[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCEQNZWFBWECDK-PRIMNGNOSA-N", "SMILES:CCCCC#Cc1nc(N)c2nc(-c3ccco3)n([C@@H]3SC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLBLGXKUIWSNY-CIQYLNAISA-N", "SMILES:CNc1nc(Cl)nc2c1nc(-c1ccco1)n2[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXPMCXJWNUNKA-KPAZRMRSSA-N", "SMILES:O[C@@H]1[C@H](O)CS[C@H]1n1c(-c2cccs2)nc2c(NCc3cccc(I)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQHSBVMLIHPRJH-OWDMVUQNSA-N", "SMILES:Nc1nc(NCCc2ccc(O)cc2)nc2c1nc(-c1ccco1)n2[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRVBIRSXOZJMD-SOIKWTOOSA-N", "SMILES:CNc1nc(NCCc2ccc(O)cc2)nc2c1nc(-c1cccs1)n2[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFUARYAVCZRFSJ-NDKUEENFSA-N", "SMILES:CCCCC#Cc1nc(NCc2cccc(I)c2)c2nc(-c3ccco3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCPHSIUPIXSXMW-CBLJQSSYSA-N", "SMILES:CCCCC#Cc1nc(NC)c2nc(-c3ccco3)n([C@@H]3SC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PESFGYYNBLHZAJ-CBLJQSSYSA-N", "SMILES:CCCCC#Cc1nc(NC)c2nc(-c3cccs3)n([C@@H]3SC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSUNPAOADKPGK-CIQYLNAISA-N", "SMILES:CNc1nc(Cl)nc2c1nc(-c1cccs1)n2[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYMEWJWHHAAQJ-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccco2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPSJQULHBXXHG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSQIERMGZPHHK-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccoc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBRCXTDBULOPOH-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccno2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSWQYXVSEUQTQS-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFAGVNFWRMPRZ-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYPAIWUICVJMDA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBFHNPZRPLQTCL-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWYWHKGOAHOWAR-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2C2CCOC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNVKYRXMEZSOTQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDIXPULHZOJKDO-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(Cl)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STSCRAGBCYODMY-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(Br)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUIIWMTKDWEDF-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc([N+](=O)[O-])o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKWXCXKERDPQID-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(C(F)(F)F)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXCJBLTPXPRIQ-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(C(F)F)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTBLXNISMBQPO-UHFFFAOYSA-N", "SMILES:NCC(F)(F)c1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWQUVRKJMBFJJ-UHFFFAOYSA-N", "SMILES:CNCC(F)(F)c1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXFBUAMALVUULQ-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(C(F)(F)CO)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHUMDQLSFGLRJ-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFPQZDSXJQDUMR-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(C3COC3)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKBQPOKCBGKQY-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(C3CCOCC3)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDYQXFSHQVQHQK-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(CN3CCC3)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVOQAKDWCWDVBE-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(CN3CCCC3)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFENPHISKTURDX-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(CN3CCCCC3)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSOYCMJDRBCTA-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(CN3CCOCC3)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFOYDQPLOOCKP-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2ccc(CN3CCSCC3)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHASMVZDHXHVLB-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDIYKDSFTRRTBF-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHGKVUKAOBUJS-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKNQEQLNUVEGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFEUWAYIRXUBLH-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2-c2cc(Br)c(Cl)o2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZMLKUJSQFVHW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2nn(C(C)c3nn(-c4cccc(S(C)(=O)=O)c4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNCDEDBKQOCMSJ-AWEZNQCLSA-N", "SMILES:COc1ccc(-c2nn([C@@H](C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNCDEDBKQOCMSJ-CQSZACIVSA-N", "SMILES:COc1ccc(-c2nn([C@H](C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLIITQXKFRLOS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nn(-c4cccc(S(C)(=O)=O)c4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPKEXDXYSBFQC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nn(C(C)c3nn(-c4cccc(S(C)(=O)=O)c4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPJPWCMBHGXCGK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nn(-c4cccc(S(C)(=O)=O)c4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZYOVGYQJUZIC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nn(-c4cccc(S(C)(=O)=O)c4)c4cc(Cl)ccc34)c3ncnc(N)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCUOAHWZOYKWNZ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nn(C(C)c3nn(-c4cccc(S(C)(=O)=O)c4)c4cc(Cl)ccc34)c3ncnc(N)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFYCRUNCUAKBR-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccc(S(C)(=O)=O)c2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPBWLVHZKVHQV-UHFFFAOYSA-N", "SMILES:CCC(c1nn(-c2cccc(S(C)(=O)=O)c2)c2cc(Cl)ccc12)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEXBEQYAIUWQFT-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccccc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNCDEDBKQOCMSJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCKXWDAHGJFMLK-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXWGYIBULKYPP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGGFZHMOYHLYJQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOUPVAUXNUJQPZ-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cccc(OC(F)(F)F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFLXOSAUCMSYFH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWEKCMUQYRQPRS-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPRROCEUHGCCO-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccc3c(c2)OCCO3)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPIWBSHKZNWOGS-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cccc(C#N)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOHJWGPNYUIHCU-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cccc(C(N)=O)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIYSURRLLEWGV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2nn(C(C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQORTLJIAOSDRR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C(C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c3ncnc(N)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSDQYHAUZJHATJ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nn(C(C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c3ncnc(N)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSVDDKMJMRGPI-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENKMKXHMDTMBS-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccoc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHZJNGNJPJCER-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccsc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPXRJNAWQZGGLO-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZMZXFUBZXRYHX-UHFFFAOYSA-N", "SMILES:CCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZDIIZEWPKSHS-PKOFMYQESA-N", "SMILES:COc1ccc(Cc2ccccc2S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLOUMFUWPPHRL-RQXATKFSSA-N", "SMILES:CCOc1ccc(Cc2c(Cl)cccc2S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQGKGAHOVJTJJ-BPIZAFOJSA-N", "SMILES:OC[C@H]1O[C@@H](Sc2cccc(Cl)c2Cc2ccc(O[C@H]3CCOC3)cc2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMNZDRDINMSIK-MWFZDGHISA-N", "SMILES:Cc1cccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEPLIVNNUIQVRA-CMYXFABPSA-N", "SMILES:OC[C@H]1O[C@@H](Sc2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSUQYCNWOKZQEQ-ZXGKGEBGSA-N", "SMILES:Cc1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZNDDJLPONVKZ-ADAARDCZSA-N", "SMILES:CCOc1ccc(Cc2cc(S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPSOIHVITYMOK-UHFFFAOYSA-N", "SMILES:CN(C)/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSRZQLHARRENMB-UHFFFAOYSA-N", "SMILES:CN/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQUOQNOTCKFPEB-UHFFFAOYSA-N", "SMILES:C=CCN(CC=C)/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTDACPBKFBJJJB-UHFFFAOYSA-N", "SMILES:CCCCN(CC)/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWUNNGAGRGTTO-UHFFFAOYSA-N", "SMILES:CCCN(CCC)/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMUVDVQMIODRHN-UHFFFAOYSA-N", "SMILES:CCN(CC)/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQZAJFIGIRJVRX-UHFFFAOYSA-N", "SMILES:COCCN(CCOC)/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJIFUWSWEVVKQE-UHFFFAOYSA-N", "SMILES:COCCN/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGQHNHIDVDHCV-UHFFFAOYSA-N", "SMILES:COCCN(C)/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLTIODMCXGVFAQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYKXNFMNVLPLU-UHFFFAOYSA-N", "SMILES:CC(C)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGEMOPHGAWQYQC-UHFFFAOYSA-N", "SMILES:CC(C)(N/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDSIXOLFSGCSN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNUTOMPJVUCOO-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKWVCSJENVKMKX-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXDLKYNTSGZBI-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFERTOYTXRQFBQ-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHWHGKFKBMTTKJ-UHFFFAOYSA-N", "SMILES:CN1CCN(/C(N)=N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPIFDUMKLRDSS-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXJOOXWJPINXPX-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STJWSEYYIZJOMZ-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWFBCTIGCQXQBY-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYCAXGNIPNZFR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(/C(N)=N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHVDDSNRKCFHH-UHFFFAOYSA-N", "SMILES:COC(CN/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTEBDSKLANITSX-UHFFFAOYSA-N", "SMILES:CN(CCC#N)/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDVLATZZLBSRA-UHFFFAOYSA-N", "SMILES:CON(C)/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXOFHOYWXXDBK-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)n1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZGOAIFJPPMNI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSJJJMIDIWSDBR-UHFFFAOYSA-N", "SMILES:NC(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYODGSDMTZTLQA-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRCMLIBRYAUSQV-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(I)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEPQKOWCMPZJA-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc2ccccc2c1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNNZNNEDXXKAA-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQUGLIGIMFZNHD-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(C(C)(C)C)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMAKQTUOUEOQF-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(C(C)C)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHPORUKTMBEMW-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(C#N)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSOQXMJYPOPYSD-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(C)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEIDLAMHIJLHJL-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(Br)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXSZJBLXBZNCT-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLNBNYPUBQKPA-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)/N=C(/N=C(\\N)NC(C)=O)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKVKMTLAESKPDW-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccccc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYQGBLBKACIOJ-UHFFFAOYSA-N", "SMILES:CCC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSTUWDXGOMNCLM-UHFFFAOYSA-N", "SMILES:CCC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNUJRNQZKESLW-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCHATUHLDKAKN-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXNWPLNLLSVYMD-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(I)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPAZRFXMISNXBD-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVQOKYZMVIZLET-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=N\\S(=O)(=O)c1ccc2ccccc2c1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZCSZKUGSZYGBS-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)/N=C(/N=C(\\N)NC(=O)c2ccccc2)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJNTQNHGSDPTK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)/N=C(/N=C(\\N)NC(=O)c2ccccc2)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYNGENODKHHMV-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPISSZACAGNMN-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNRDAGAJCQZOR-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYGQAXDCQZTLSA-UHFFFAOYSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGDKWAHDFWNDT-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)/N=C(/N=C(\\N)NC(C)=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYODGSDMTZTLQA-JOCHJYFZSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYODGSDMTZTLQA-QFIPXVFZSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRCMLIBRYAUSQV-JOCHJYFZSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(I)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRCMLIBRYAUSQV-QFIPXVFZSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(I)cc1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEPQKOWCMPZJA-AREMUKBSSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc2ccccc2c1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEPQKOWCMPZJA-SANMLTNESA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc2ccccc2c1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNNZNNEDXXKAA-JOCHJYFZSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFNNZNNEDXXKAA-QFIPXVFZSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPISSZACAGNMN-OAQYLSRUSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPISSZACAGNMN-NRFANRHFSA-N", "SMILES:CC(=O)N/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSFERRIHNOBEC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)CC(c2ccccc2)S(=O)(=O)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFSNVFVPNHHLM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC(=O)N(CCCCCC(=O)NO)c3ccccc3S2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUSPCANNSXLPJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(=O)N(CCCCCC(=O)NO)c3ccccc3S2(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVRUEDKNFFSVFU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)CC(c2ccccc2Cl)S(=O)(=O)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDWKBWRNPJVER-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)CC(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCIADIGUAGFZMT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)CC(c2cccc3ccccc23)S(=O)(=O)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUPKENZACMICGA-HAQFKNNNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXORUZPBYUVHN-LWRPMJQVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALYBYUNWLMIEA-XDODRLFFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)CSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBGRDBMRRAZCGC-LWRPMJQVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZMOAOZJIRIJMN-HAQFKNNNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOGSYFOUSOHKE-XDODRLFFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)CSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWQMSHQAVWNOO-HBGATTSMSA-N", "SMILES:C=C(C/C=C\\C=C/CC/C=C/CN(C)C(=O)/C=C(\\C)OC)c1nc(C[C@@H](C)[C@H]2OC(=O)c3c(ccc(C)c3O)[C@@H]2O)co1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5425983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYSRTBQBPQSCX-LIDYCQHCSA-N", "SMILES:C=C(C/C=C\\C=C/CC/C=C/CN(C)C(=O)/C=C(\\C)OC)c1nc(C[C@H](C)[C@@H]2CC[C@@H](C)C[C@H]2O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVGFSVIMAILDQM-QAMMBDAWSA-N", "SMILES:C=C(C/C=C\\C=C/CC/C=C/CN(C)C(=O)/C=C(\\C)OC)c1ncco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIAOKSMOIJEDIZ-JUFKZSEZSA-N", "SMILES:CO/C(C)=C/C(=O)N(C)C/C=C/CC/C=C\\C=C/C[C@@H](C)c1nc(C[C@@H](C)[C@H]2OC(=O)c3c(ccc(C)c3O)[C@@H]2O)co1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5432902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVOGFKHGHWHBV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(N2CCN(C)CC2)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNACGENUHFPUCA-UHFFFAOYSA-N", "SMILES:COc1cc(COC(=O)n2ncc3cc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cnc32)c([N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNALXOKHZOKGFB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C)cc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHZMMIHCRVLNY-UHFFFAOYSA-N", "SMILES:C=C(C)CN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUMJWMHLGWSNN-UHFFFAOYSA-N", "SMILES:C#CCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVCVSICHKTWBQY-UHFFFAOYSA-N", "SMILES:CCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILOILNCNNDZSP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)CC(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLMCFHKNPPUPG-UHFFFAOYSA-N", "SMILES:CCCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWGVTBPHHVUUGH-UHFFFAOYSA-N", "SMILES:C=CCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLSJYUGVAKRFO-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENWZQMRYIUFTH-UHFFFAOYSA-N", "SMILES:CCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPKKJDSNXRZST-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)CC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXYBGDBLMOLNN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Br)cc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFRFZZMKNAWMO-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2F)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHJTIPNOHVSJN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGCPBQUWWZAQTK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFWZYUVXWFBKMD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2OC(C)C)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSVGMYCFGNUKIP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)CC(=O)N1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHCXONLTSULBM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)CC(=O)N1CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AORYTIFNYYOLKC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)CC(=O)N1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPKNMBRADITKN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)CC(=O)N1CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXXCIHNDOWHFHB-UHFFFAOYSA-N", "SMILES:COC(=O)CN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKBGHQSWEJDARO-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MILYVJHFQZBFLE-UHFFFAOYSA-N", "SMILES:CN1C=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUSZQLBSPQOKK-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)N(C)C(=O)CC1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVHADTWKYRDFHM-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)NCc2ccccc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGLMAAVBWPIREL-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2F)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFOSYCDXFBVFR-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2cccc(F)c2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFHYUEAVMBNOPO-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccc(F)cc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFFSEFLVYPQAO-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2Cl)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWGPEXAKRSGEQ-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2cccc(Cl)c2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJZYULFVGAQGQX-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccc(Cl)cc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMHOVMPEPIMHQ-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2C(F)(F)F)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTCOJVUJXIHSJ-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2cccc(C(F)(F)F)c2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPODKBHISAJZKH-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccc(C(F)(F)F)cc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJHNGGXVZNBGA-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2cccc(C(=O)OC)c2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSJHDFBQMITXAS-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccc(C(=O)OC)cc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLOTVHJKCNFQFR-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2C)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNBIXZUVTRWYMU-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2cccc(C)c2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMUKZFHPZMRRLR-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccc(C)cc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDCCCLOSRASZLY-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2c(C)cc(C)cc2C)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZZRNNZRLOPQDH-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2OC)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFVPKOKKLTUPB-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2cccc(OC)c2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKFZWVYQHDFQL-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccc(OC)cc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXYRDQIAOQQAX-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2OC(F)(F)F)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIXOCHCUFIXNLV-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccc3ccccc3c2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMOZRXCNRIWWAT-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccncc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYRPPOBXTANHOY-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccc(-c3ccccc3)cc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXASRTHMOZEGGH-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCCCc2ccccc2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVAJAFZPYBOJJ-UHFFFAOYSA-N", "SMILES:COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCC2CCCCC2)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUADTJMJBWQNK-UHFFFAOYSA-N", "SMILES:COCCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2OC)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTXOXAWPUWNLFU-UHFFFAOYSA-N", "SMILES:COc1ccccc1COC(=O)C1=C(C)N(CCO)C(=O)CC1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOHEWCQJZVILZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1COC(=O)C1=C(C)N(Cc2ccco2)C(=O)CC1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKPOOPDGHADLG-YADHBBJMSA-N", "SMILES:COc1ccccc1COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C[C@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKPOOPDGHADLG-VXKWHMMOSA-N", "SMILES:COc1ccccc1COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C[C@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGGMIJYFVDFLN-UHFFFAOYSA-N", "SMILES:COC(=O)CN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2OC)=C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARPMDPNSORGBN-UHFFFAOYSA-N", "SMILES:COc1ccccc1COC(=O)C1=C(C)N(CC2CCCO2)C(=O)CC1c1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARPMDPNSORGBN-UXHICEINSA-N", "SMILES:COc1ccccc1COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C[C@H]1c1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARPMDPNSORGBN-VQTJNVASSA-N", "SMILES:COc1ccccc1COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C[C@@H]1c1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARPMDPNSORGBN-PMACEKPBSA-N", "SMILES:COc1ccccc1COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C[C@H]1c1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARPMDPNSORGBN-WOJBJXKFSA-N", "SMILES:COc1ccccc1COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C[C@@H]1c1ccc(Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHDOINBTHSDRLY-UHFFFAOYSA-N", "SMILES:CCC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)CC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL77538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFZWMWTUSXDCB-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNUNNAPZNTPQV-RYUDHWBXSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHBAVXVTGLANPI-QMMMGPOBSA-N", "SMILES:CC(C)[C@H](N)C(=O)N1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL235133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWQQKHGTFZUND-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDZWWGBRZISNRL-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2Cl)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL37980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZKGSMYOOFRCTE-UHFFFAOYSA-N", "SMILES:NCc1c(N)nc(-c2ccccc2)nc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQKWBMHNYJKBE-IAGOWNOFSA-N", "SMILES:N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJBFJGNXDVDDX-RDVIWEACSA-N", "SMILES:N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL183207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBBBKJDYCNYZCS-SHQCIBLASA-N", "SMILES:CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@H](N)Cc3ccccc3F)[C@H](Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJULGSPFQYBAN-RXVAYIKUSA-N", "SMILES:CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@H](N)Cc3ccccc3)C(Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFCYNYYEURJOF-GGAORHGYSA-N", "SMILES:N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJSXRONJUPKFM-ALLRNTDFSA-N", "SMILES:CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C[C@@H](N)Cc3ccccc3)C(Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXSWMXRAIPXMRH-OAHLLOKOSA-N", "SMILES:Cc1nnc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVYYZQCNBRLRAV-GFCCVEGCSA-N", "SMILES:N[C@@H](CC(=O)N1CCSC1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL363319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INUDFZPOCPXRIM-SECBINFHSA-N", "SMILES:N[C@@H](CC(=O)N1CCSC1)Cc1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297435", "category": ["biolink:ChemicalEntity"], "name": "RETAGLIPTIN", "xref": ["InChIKey:WIIAMRXFUJLYEF-SNVBAGLBSA-N", "SMILES:COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2"], "synonym": ["Retagliptin", "Sp2086", "SP-2086", "SP2086"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWBFSLZDMTBQL-FWVNDXEPSA-N", "SMILES:N[C@H]1C[C@@H](N2Cc3nn4c(C(F)(F)F)cc(C(F)(F)F)nc4c3C2)CO[C@@H]1c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAPUIDPNCTWBOZ-XFWSIPNHSA-N", "SMILES:CC(C)(C)[C@H](N)C(=O)N1[C@H](C#N)C[C@@H]2C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWNHYFHRKOZRHN-SFHVURJKSA-N", "SMILES:Cc1ccc2c(c1)CN(C(=O)CC(C)(C)NCC(=O)N1CCC[C@H]1C#N)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4113723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNVUDUILISDHBC-OAHLLOKOSA-N", "SMILES:CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3cc(F)ccc3s1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAFJKSKGXBIJGD-LJQANCHMSA-N", "SMILES:N#Cc1ccc(F)cc1Cn1c(N2CCC[C@@H](N)C2)nc2cc(-c3cccnc3)sc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1650443", "category": ["biolink:ChemicalEntity"], "name": "TRELAGLIPTIN", "xref": ["InChIKey:IWYJYHUNXVAVAA-OAHLLOKOSA-N", "SMILES:Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O"], "synonym": ["Trelagliptin", "Trelagliptine", "Trelagliptina", "Trelagliptin", "Trelagliptin", "SYR-472", "Trelagliptin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3249799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZHSEJADLWPNLE-PIKADFDJSA-N", "SMILES:C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@]3(O)[C@@H]1C5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4210329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSOKHVVANONPV-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2nnc3c(Sc4nc5ccccc5o4)ncnc32)cc1"]}
{"name": "Dual oxidase 1", "xref": ["CHEMBL.TARGET:CHEMBL5465362"], "id": "UniProtKB:Q9NRD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual oxidase 2", "xref": ["CHEMBL.TARGET:CHEMBL3293"], "id": "UniProtKB:Q9NRD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650894", "category": ["biolink:ChemicalEntity"], "name": "ISUZINAXIB", "xref": ["InChIKey:LQKQLKMTJOMCMJ-UHFFFAOYSA-N", "SMILES:CCCc1c(-c2ccccc2)nn(-c2ccccn2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWGBOHJGWOPYCL-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)Nc1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGGZBHPKCAWNPH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1ccc(O)cc1)C2c1[nH]c2ccccc2c1CC(CO)NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCXUWLZLJJIDB-UHFFFAOYSA-N", "SMILES:CCNC1CCN(c2ccccc2NC(=O)c2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKLVGWRLIUFEIO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3cccc(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PADQUVZDTGNTLH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(C2Nc3ccc([N+](=O)[O-])cc3C3C=CCC32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPJNERTYXQZQU-FOCCPXBLSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYUPEWXJOADHQ-UHFFFAOYSA-N", "SMILES:O=C(OCc1cccc(O)c1O)c1ccc(O)c(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFYMFCKLUAOET-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)c(C)c4)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMWVTCZKCXPKFW-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEVHLTCEMHIJTQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)sc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNESYYMLULAOFP-OALAUQGLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFTOSZVUAOOMFI-OPJVNLCKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCC(=O)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLOHOGRMRUDDPM-LBPRGKRZSA-N", "SMILES:COc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C)C3)nn2C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOMIPFTWPIEPM-CABCVRRESA-N", "SMILES:Cc1nc(NC(=O)N2C[C@H](NC(=O)CCCC(=O)NO)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWGUEBZMLPFSQZ-CVEARBPZSA-N", "SMILES:Cc1nc(NC(=O)N2C[C@H](NC(=O)CCCCC(=O)NO)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOUFIQMKUSEQEQ-MSOLQXFVSA-N", "SMILES:Cc1nc(NC(=O)N2C[C@H](NC(=O)CCCCCCC(=O)NO)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFDTVKMWNVZZEK-MSOLQXFVSA-N", "SMILES:Cc1nc(NC(=O)N2C[C@H](NC(=O)c3ccc(C(=O)NO)cc3)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNXQWYECCZJAD-MOPGFXCFSA-N", "SMILES:Cc1nc(NC(=O)N2C[C@H](NC(=O)Cc3ccc(C(=O)NO)cc3)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAHFGWXJKNNMKS-WBVHZDCISA-N", "SMILES:Cc1nc(NC(=O)N2C[C@H](NC(=O)c3ccc(C(=O)NO)cn3)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCDMTDGYSMOTA-CVEARBPZSA-N", "SMILES:Cc1nc(NC(=O)N2C[C@H](Nc3ccc(C(=O)NO)cn3)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMZLWLZMNGZCN-CABCVRRESA-N", "SMILES:Cc1nc(NC(=O)N2C[C@H](Nc3ncc(C(=O)NO)cn3)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXAFSPRXUHHRG-AEFFLSMTSA-N", "SMILES:Cc1nc(NC(=O)N2C[C@H](NS(=O)(=O)c3ccc(C(=O)NO)cc3)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBBMNVLYUEPKQ-MOPGFXCFSA-N", "SMILES:Cc1nc(NC(=O)N2C[C@H](NS(=O)(=O)Cc3ccc(C(=O)NO)cc3)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNOPLSUWJWBDPM-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRLBJXFKXGOIMB-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2CC(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKNGBOSEWMDOF-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2CC(=O)c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHUWCRZHWIWIO-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2CC(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAJHVIJSDWCTH-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2CC(=O)c1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQJRALFJOGDPLW-XUZZJYLKSA-N", "SMILES:Nc1nc(O[C@H](c2ccc(-c3ccccc3)cc2)C(F)(F)F)cc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCQIGGATKZQDU-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2CC(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNLKDHSQNSSRG-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2CC(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGEVWSVEWIGDJH-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2CC(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCTCQNVBKJPDBS-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2CC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQUBMCEZFMNNZ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2CC(=O)c1ccc(N=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISFHAFCHRQNNLA-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2CC(=O)c1ccc(OC(C)=O)cc1"]}
{"name": "Tryptophan 5-hydroxylase 1", "xref": ["CHEMBL.TARGET:CHEMBL5465551"], "id": "UniProtKB:P17532", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTFBHDFIAVCOLW-LSORTQQXSA-N", "SMILES:OC[C@H]1O[C@@H](S[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTFBHDFIAVCOLW-CXWAYFSPSA-N", "SMILES:OC[C@H]1O[C@@H](S[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYTWVSRTDWODGB-OWLWSTIZSA-N", "SMILES:NC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYTWVSRTDWODGB-AZDJEOSPSA-N", "SMILES:NC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCFONKCXMSSSBC-XHQBTEETSA-N", "SMILES:COC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYBPYWPUAPOEJF-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTUPOAFNUDYQL-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cnc(Nc2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGLTYJDVLDDZBF-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(Nc2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBZNBOMTWZQDV-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cnc(NCc2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMKKZDNDUDDRHG-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NCc2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXQOUHFUGCXCHI-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cnc(NCc2ccc(OC)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNXQXLFIXZKRCS-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NCc2ccc(OC)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RACMCYKVWOJBRK-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cnc(Nc2cccc3ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULIWASGTRCUQE-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(Nc2cccc3ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRHUPNKHFWZIPG-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cnc(N2CCCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKMKEZIHQSQEPY-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(N2CCCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFDJXYWKBHWFN-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cnc(N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRGZNXIGLRUMU-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDODLMNYMSFCCA-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cnc(NC(C)=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXYFLCEHDWKKO-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NC(C)=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSFHNCWSJDUOP-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cnc(NC(=O)c2ccc3[nH]ccc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHFWWDJCSOOVOY-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NC(=O)c2ccc3[nH]ccc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDMMLNOTNNOENI-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1cnc(NC(=O)c2ccc3ncccc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTYKIVWYBWYFJ-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cnc(NC(=O)c2ccc3ncccc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPGFTRLFQCRDV-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFSXBBLNVBOYPT-UHFFFAOYSA-N", "SMILES:O=C(CCCCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWEAFAKKMJQHIM-UHFFFAOYSA-N", "SMILES:O=C(CCNc1cc(N2CCCCCC2)nc(-c2cccnc2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEFHOJYIISJPS-UHFFFAOYSA-N", "SMILES:O=C(CCCNc1cc(N2CCCCCC2)nc(-c2cccnc2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUTWXARHYVRPGS-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1cc(NCC(=O)NO)nc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYNUUFRKFXUSF-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1cc(NCCCC(=O)NO)nc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMXKJQKHYOPGY-UHFFFAOYSA-N", "SMILES:O=C(CCNc1cc(-c2cccnc2)cc(N2CCN(c3ccc(F)cc3)CC2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDJQVFWYUOSHD-UHFFFAOYSA-N", "SMILES:O=C(CCCNc1cc(-c2cccnc2)cc(N2CCN(c3ccc(F)cc3)CC2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUMYDYQSNEPDL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYSPQNJJKOVAT-UHFFFAOYSA-N", "SMILES:O=C(CCCCNc1cc(N2CCCCCC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZIYDVXUWAXOP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNc1cc(N2CCCCCC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELYZRIECDGSTO-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1cc(N2CCCCCC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZTZUBMCGAASNR-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1cc(NCCCCC(=O)NO)nc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIWBHBGLZOKJNN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1cc(NCCCCCC(=O)NO)nc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAUIWYZLZKAAHT-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1cc(NCCCCCCC(=O)NO)nc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEEVWFOQBJGAQF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1cc(N2CCCCCC2)nc(-c2cccnc2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQBHOAXUYZEMGV-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1cc(NCCCCCCC(=O)NO)nc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYQMGVXDFBHWSS-UHFFFAOYSA-N", "SMILES:O=C(CCCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKNCTCCBMFSNHN-UHFFFAOYSA-N", "SMILES:O=C(CCNc1cc(N2CCCCCC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDEHHKQXLFEWIM-UHFFFAOYSA-N", "SMILES:O=C(CCCNc1cc(N2CCCCCC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXZTPMOHOQYCZ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1cc(NCCC(=O)NO)nc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHAJARVQVFJSLU-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1cc(NCCCC(=O)NO)nc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FINJKWBVDVDIEV-UHFFFAOYSA-N", "SMILES:O=C(CCCNc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJZUJFKQNHAWKX-UHFFFAOYSA-N", "SMILES:O=C(CNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGONYJLROBQISO-UHFFFAOYSA-N", "SMILES:O=C(CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHIDOILLTARFSG-UHFFFAOYSA-N", "SMILES:O=C(CNc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYXYLRXXQCJHC-UHFFFAOYSA-N", "SMILES:O=C(CCNc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccn2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUVUMAPNDQFBAF-UHFFFAOYSA-N", "SMILES:O=C(Cn1c2c(c(-c3cccc(Cl)c3)cc1=O)C(=O)NC2)Nc1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBOJRNOJLPGFJX-XTXLOEGASA-N", "SMILES:NCC1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(-c3nnn[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWHQDXJIIPJHL-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccc(-c2cc(Cl)ccc2Cl)cc1=O)Nc1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWIWXNMAPDVMPI-QHHAFSJGSA-N", "SMILES:Nc1n[nH]c2cc(-c3[nH]c(CNC(=O)/C=C/c4cc(Cl)ccc4-n4cnnn4)nc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALBQRAIWKKGSP-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccc(-c2cc(Cl)ccc2Br)cc1=O)Nc1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFDAJCUZTGFKSW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cl)cc1-c1ccn(CC(=O)Nc2ccc(-c3nnn[nH]3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAFRGZBWLGFNO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cl)cc1-c1ccn(C(Cc2ccccc2)C(=O)Nc2ccc(-c3nnn[nH]3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJXPPFWTHKBAC-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(-c2nnn[nH]2)cc1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKHLMHODCXERR-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2nnn[nH]2)cc1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSCGKRLZQRDOQU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cl)cc1-c1ccn(C(CC2CC2)C(=O)Nc2ccc(-c3nnn[nH]3)cc2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3921560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYGLIISNHDTQSF-UHFFFAOYSA-N", "SMILES:CCCCC(C(=O)Nc1ccc(-c2nnn[nH]2)cc1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3953489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAMXDIDNRHTRD-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(C(=O)O)cc1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3945321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFAOKCDIFBZLTD-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(F)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3893331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYLKJUSMRUADNT-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(Cl)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUOMLAMFRJTVIB-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(C#N)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3897517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSRLRSJHSYLVHH-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(C#N)c(-c2cc(Cl)ccc2C(F)F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3929038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLAHSLWVRFEPX-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(C#N)c(-c2cc(Cl)ccc2C(F)(F)F)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPSQYCLTAAEIDL-UHFFFAOYSA-N", "SMILES:COc1cn(C(C)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRKPZRMKWAQTNS-UHFFFAOYSA-N", "SMILES:COc1cn(C(C)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3900078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFKPUVWPTOOUNN-UHFFFAOYSA-N", "SMILES:COc1cn(C(C)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3983295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDGTVFLLMIACAE-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(C(F)F)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQZSVOPSABUDTN-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(C(F)(F)F)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPSQYCLTAAEIDL-ZDUSSCGKSA-N", "SMILES:COc1cn([C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUXWVMXMMHUYLB-FQEVSTJZSA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3889581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGNRWMZAJNVPLX-UHFFFAOYSA-N", "SMILES:COc1cn(C(C(=O)Nc2ccc(C(=O)O)cc2)C(C)C)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDLAMRDOLIUATC-QFIPXVFZSA-N", "SMILES:COc1cn([C@@H](CC(C)C)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEOQEAASRZWJNV-QFIPXVFZSA-N", "SMILES:COc1cn([C@@H](CC2CC2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXIDJSNINHKLLQ-QHCPKHFHSA-N", "SMILES:COc1cn([C@@H](CC2CCC2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3944592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVBPYPYIBVMCC-UHFFFAOYSA-N", "SMILES:COc1cn(C(CC(C)(C)C)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYFQGTYMRMPAS-NRFANRHFSA-N", "SMILES:COCC[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXCWDXRPDZZLO-FQEVSTJZSA-N", "SMILES:COc1cn([C@@H](CCOC(F)(F)F)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETBCOOBUYAHJM-REWPJTCUSA-N", "SMILES:COc1cn([C@@H](C[C@@H]2CCCO2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVQIDDPAQZTNTF-URXFXBBRSA-N", "SMILES:COc1cn([C@@H](C[C@@H]2CCCCO2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVQIDDPAQZTNTF-QPPBQGQZSA-N", "SMILES:COc1cn([C@@H](C[C@H]2CCCCO2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYNSAJCVHKUDFF-NYHFZMIOSA-N", "SMILES:COc1cn([C@@H](C[C@H](C)OC)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJNBXUGWBBVSDD-AXCVFNIJSA-N", "SMILES:COc1cn([C@@H](CC2CCC(O)CC2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BINAGLHHRFBQCD-KUKKDBARSA-N", "SMILES:COc1cn(C(C[C@@H]2CCCCO2)C(=O)NC23CCC(C(=O)O)(CC2)CC3)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJGDANHNDSJAQ-LHOAVNRNSA-N", "SMILES:COc1cn(C(C[C@@H]2CCCCO2)C(=O)NC23CC(C(=O)O)(C2)C3)c(=O)cc1-c1cc(Cl)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRFJWHUBCQQIT-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)NC1CC2(C1)CC(C(=O)O)C2)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNIAIBPFJRPRP-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)NC1CCc2[nH]ncc2C1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTRQHPDTKFMGV-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2[nH]ncc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3974117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCJQHVXBYDODIH-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2c(=O)[nH][nH]c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTEVYCWILQXNGG-NRFANRHFSA-N", "SMILES:COCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPSBYNMHTRVBKZ-FQEVSTJZSA-N", "SMILES:COCC[C@@H](C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWXQCZWRQKQLA-QHCPKHFHSA-N", "SMILES:COCC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQSSEPMBNYZTBO-QHCPKHFHSA-N", "SMILES:COCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQSSEPMBNYZTBO-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMQHQLHZXFJBKV-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C2=NOCC2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQPMEUJFEVBLRJ-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2ccon2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAFNAAZYCZFUNR-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cnco2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMABFZNOSCTFBL-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cocn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWKPWXZBFLVGCL-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnco2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIHUWPHJJSKFX-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGCCTMXHTZVEGP-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMONLHVVQNSEO-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2ccnc2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHDZGIZYASTKPK-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnc(Cl)c2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQFBMTXLTXVRAL-UHFFFAOYSA-N", "SMILES:COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNORUMXNDXEIL-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWXHIMIUSZAOP-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWXHIMIUSZAOP-NRFANRHFSA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHXABWWDRJQRK-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHXABWWDRJQRK-QFIPXVFZSA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQQDNTZJAXMNL-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQQDNTZJAXMNL-NRFANRHFSA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUAFIQJRZLYLOU-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)o2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCBCYSQFOUFPJ-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)s2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPTNTTHZSPASJM-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(C(F)F)on2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCIYWYPGKSHFD-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cnc(C(F)F)o2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYFMXQURGPWLW-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2ccn[nH]2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMBYSUFEIJUEQ-QFIPXVFZSA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQDURKQOJZYOA-QHCPKHFHSA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc2nc(C)c(C)nc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSDTWYIYKNDSR-FQEVSTJZSA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc2nn(C(F)F)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCYSCKCGWJAGU-IBGZPJMESA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNJMTPKSKWTBQ-LBPRGKRZSA-N", "SMILES:COc1cn([C@@H](C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVCAULOQATWKKF-LBPRGKRZSA-N", "SMILES:COc1cn([C@@H](C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(C(F)F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNUMNATTXKTJQD-LBPRGKRZSA-N", "SMILES:COc1cn([C@@H](C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETZVLILMHLZTG-FQEVSTJZSA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZYQOJQXJGZMI-NRFANRHFSA-N", "SMILES:CCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZUXJAUBKKDABN-QFIPXVFZSA-N", "SMILES:CCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQRNHVWJUMYDQS-NRFANRHFSA-N", "SMILES:CCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXAVBYFHPDERQA-IBGZPJMESA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1ccc(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEPFLPHGYMIKEE-IBGZPJMESA-N", "SMILES:CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1ccc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGJBUWKBLDLTQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCOc4cc(O)c5ccc(=O)oc5c4)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFEWUCHMHCXMMQ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCCOCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAIMIEDIGQXBSF-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCCCCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJQKEDWZKYGNG-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCCCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPUJTTGYGDJIKM-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSDQXQUZAAQYDZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)oc3cc(OCCCN4CCC(C(=O)Nc5ncc(SCc6ncc(C(C)(C)C)o6)s5)CC4)cc(O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHZDYHEKACPNO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCOc4cc(O)c5c(-c6ccc(F)cc6)cc(=O)oc5c4)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBAZSUSXTDZTMW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCOc4cc(O)c5c(-c6ccncc6)cc(=O)oc5c4)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWIOKMKBFQAIMD-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLFFLJAXYKERJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCOc4cc(O)c5c(-c6ccccc6)cc(=O)oc5c4)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEGOCVMLNHVWCF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCOc4ccc5c(-c6ccccc6)cc(=O)oc5c4)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBXDIOAYSYUDC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCCCOc4cc(O)cc5oc(=O)ccc45)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPVCIPDRWGRUPJ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(O)cc(OCCOCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWPZOWQNLQTXKM-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(O)cc(OCCCCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZNJGRPRQAHVJT-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(O)cc(OCCCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKGDLRXBEOKJKL-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(O)cc(OCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFYDCFEIGHHJE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCOc4cc(O)cc5oc(=O)ccc45)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZGMTGRIBCZRAS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCOc4cc(O)cc5oc(=O)cc(-c6ccncc6)c45)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSDWNUXGXXSHKG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCOc4cc(O)cc5oc(=O)cc(-c6ccc(F)cc6)c45)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQZMHBDLDOYLG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)oc3cc(O)cc(OCCCN4CCC(C(=O)Nc5ncc(SCc6ncc(C(C)(C)C)o6)s5)CC4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJQMNZTUAKCMU-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(O)cc(OCCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOYWDJKBNOKJDW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCOc4cc(O)cc5oc(=O)cc(-c6ccccc6)c45)CC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKCGAMRTHVAZHZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cnc(CSc2cnc(CC(=O)C3CCNCC3)s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJMOHIHVOUUDE-QHCPKHFHSA-N", "SMILES:Cc1c(OCc2nnc(SCc3cccc(CN[C@@H](CO)C(=O)O)c3)o2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIEKEVDZKHCHOX-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)NCCC(=O)N(C)CCCCO4)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDCINMNXNRYMU-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)NCCC(=O)NCCCCO4)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJDOSMIVVUPROI-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)NCCN(C)C(=O)CCCCO4)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAAVSPULBSDEOY-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)NCCNC(=O)CCCCO4)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVXTUHJPGWZCKO-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)C(=O)NCC(=O)NCCCCO4)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUEKSMCPYQPFQV-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)C(=O)NCCCCCCCO4)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSSOTMJRRLINS-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)C(=O)NCCCCCCO4)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXCTFPNDXZZAX-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)C(=O)NCCCCCO4)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWYZLHQIBDNFFL-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc4cc(c3C)C#Cc3cnc5ccc(nn35)C(=O)NCCCCCCCCO4)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCGSIVULARDLE-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWRMINAVABZMME-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFTXUHWRGHJJHM-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1ccc(CN3CCN(C)CC3)c(C(F)(F)F)c1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGAJFAIHVVNPY-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(CN3CCN(C)CC3)cc(C(F)(F)F)c1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYXIOTQYDYQDCB-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMUDMWQYJMAZGP-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(CN3CCOCC3)cc(C(F)(F)F)c1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKMPBRSKYRFNY-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(N3CCC(N4CCOCC4)CC3)cc(C(F)(F)F)c1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGFHESZMOOWBCG-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(CN3CCCN(C)CC3)cc(C(F)(F)F)c1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGTCXVHPFWVGDM-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(CN3CCN(C)CC3)cc(C(C)C)c1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOJQAAWJKRUOCL-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(CN3CCN(C)CC3)cc(C(C)(C)C)c1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOBIWCLAYQWPPW-UHFFFAOYSA-N", "SMILES:Cc1c2cc(cc1C(=O)Nc1cc(CN3CCN(C)CC3)cc(C3CC3)c1)OCCCCCCCNC(=O)c1ccc3ncc(n3n1)C#C2"]}
{"name": "High affinity nerve growth factor receptor", "xref": ["CHEMBL.TARGET:CHEMBL5465547"], "id": "UniProtKB:Q3UFB7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPMETRTTHUBSS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc(-c4cccc(N5CCc6c(sc7c6CC(C)(C)C7)C5=O)c4CO)cn(C)c3=O)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDMWRZBIQSWWLI-JKDFXYPNSA-N", "SMILES:C[C@H](C(F)F)n1cc(Nc2ncc3cc(C#N)n([C@H]4COC[C@@H]4C)c3n2)c(OC2COC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRGISYBQNOYDB-CQSZACIVSA-N", "SMILES:NC1(c2ccc(-c3nc(N4CC[C@@H]4C(F)(F)F)nc4c3CCC4(F)F)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXCRLVGXZUDJKS-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cn1cc(Nc2ncc3c(Cl)c(N4CCN(C5(C)COC5)CC4)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBLXXGBHONKNO-BYFHAYTHSA-N", "SMILES:COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(C#Cc2ccc(N3CC4CCC(C3)N4C3COC3)nc2)cc1)[C@@H](O)CN(Cc1c(F)cc(-c2ccn(C(F)F)n2)cc1F)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C(F)(F)F)C(C)(C)C(F)(F)F"]}
{"name": "HIV protease", "synonym": ["HIV-1 protease"], "xref": ["CHEMBL.TARGET:CHEMBL3638323"], "id": "UniProtKB:Q9YQ30", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:12721"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRLUMAQXXGHLH-LJAQVGFWSA-N", "SMILES:C[C@](N)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(CC6COC6)c5)cc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPLITLLZBGXGF-UAXPXNTJSA-N", "SMILES:CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](OC(=O)Cn5ncn(-c6ccc(F)cc6)c5=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"]}
{"name": "Insulin-like growth factor 2 mRNA-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5465263"], "id": "UniProtKB:Q9NZI8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQKXEUSCPEQRD-DKRGWESNSA-N", "SMILES:CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4870803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCHABJUYSYJAT-RVWRWSNSSA-N", "SMILES:CN(c1ccc(C#N)c(Cl)c1)[C@H]1CC[C@H](NC(=O)c2ccc(N3CCN(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTZSBDJHYXZHU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)N3CCC4(CCN(c5ccc(C#N)c(Cl)c5)CC4)C3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGIZWNTYMHLKFN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)N3CCC4(CCN(c5ccc(C#N)c(Cl)c5)C4)C3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBFOQJBVADHSFN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)N3CCC4(C3)CN(c3ccc(C#N)c(Cl)c3)C4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAWDIEKXHJIRDC-HZCBDIJESA-N", "SMILES:CN1CCN(c2ccc(C(=O)N[C@H]3CC[C@H](N(C)c4ccc(C#N)c(Cl)c4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPKHAJQYQFRTPG-AQYVVDRMSA-N", "SMILES:CN1CCN(c2ccc(C(=O)N[C@H]3CC[C@H](Oc4ccc(C#N)c(Cl)c4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZBSUFNGNCNYDE-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(N3CCC4(CCN(c5ccc(C#N)c(Cl)c5)C4)C3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRSYHMOQUKUBNA-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(N3CCC4(CCN(c5ccc(C#N)c(Cl)c5)CC4)C3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLWVUWVWDWCTHA-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3ccc(N4CCC4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVYCBHZUPXFVQA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNXFHBLKGAWWBL-UHFFFAOYSA-N", "SMILES:CN1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKTXZXEJSBGHV-UHFFFAOYSA-N", "SMILES:CN1CCc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGNGENZEPWGVQG-UHFFFAOYSA-N", "SMILES:CN1CCc2cc3c(cc2CC1)C(=O)N(C1CCC(=O)NC1=O)C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEZCLJLASAPKY-INIZCTEOSA-N", "SMILES:N=C(N)Nc1ccc2c(c1)CCCCOc1c(cccc1C(=O)N[C@@H](CC(=O)O)C(=O)O)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRCLDWFMUYQBV-HNNXBMFYSA-N", "SMILES:N=C(N)Nc1ccc2c(c1)CCCOc1c(cccc1C(=O)N[C@@H](CC(=O)O)C(=O)O)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDMKXQXZCWREDZ-HNNXBMFYSA-N", "SMILES:N=C(N)Nc1ccc2c(c1)OCCCc1c(cccc1C(=O)N[C@@H](CC(=O)O)C(=O)O)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZDSYPDNMSDBKU-IBGZPJMESA-N", "SMILES:N=C(N)Nc1ccc2c(c1)CCCCCCc1c(cccc1C(=O)N[C@@H](CC(=O)O)C(=O)O)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COOGFPDLHFDISS-SFHVURJKSA-N", "SMILES:N=C(N)Nc1ccc2c(c1)CCCCCc1c(cccc1C(=O)N[C@@H](CC(=O)O)C(=O)O)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMIOKPYZYJYFX-KRWDZBQOSA-N", "SMILES:N=C(N)Nc1ccc2c(c1)CCCCc1c(cccc1C(=O)N[C@@H](CC(=O)O)C(=O)O)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZVOAYNKPZQQY-INIZCTEOSA-N", "SMILES:N=C(N)Nc1ccc2c(c1)CCCc1c(cccc1C(=O)N[C@@H](CC(=O)O)C(=O)O)OC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMJKXRJUFVPFFE-UQKRIMTDSA-N", "SMILES:Cc1c(OC(=O)c2ccc(NC(=N)N)cc2)cccc1C(=O)N[C@@H](CC(=O)O)C(=O)O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFGJELJQSNKRTE-UQKRIMTDSA-N", "SMILES:Cc1ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1OC(=O)c1ccc(NC(=N)N)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPGEXUVUNXQQJ-UHFFFAOYSA-N", "SMILES:Brc1ccc(CN2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGZMMQWJNNDAOL-UHFFFAOYSA-N", "SMILES:Fc1cccc(CN2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDTWVTZDQPVLDI-UHFFFAOYSA-N", "SMILES:Brc1cccc(CN2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOPQOYZUJJCADX-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKKHTLLMHWOGL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSDXRZPGQIJNW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(CN2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDGUGFPDYQQJJI-UHFFFAOYSA-N", "SMILES:c1ccc2cc(CN3CCN(Cc4noc(Cc5c[nH]c6ccccc56)n4)CC3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLMSEYDWYUJVDR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQIPSNUCAGBOLI-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXZFFNDIDSPHS-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHOOVEIHJUOGBH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCCJSHIQWRNAR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHZCINVRKBEASB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Br)cc1)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRXHMGJAJOJCJA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANVMCZAZDZOPP-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1ccccc1)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPWEELOAQQKQT-ZHACJKMWSA-N", "SMILES:COc1ccccc1/C=C/C(=O)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXGXMJPJJQLSE-MDZDMXLPSA-N", "SMILES:COc1cccc(/C=C/C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQZGUAITFJMHBR-DHZHZOJOSA-N", "SMILES:COc1ccc(/C=C/C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPCMCXIDKYOQH-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPQQSWSQMLKNS-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1cccc(Br)c1)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZXXZLDVTUDKJ-JXMROGBWSA-N", "SMILES:COc1ccc(OC)c(/C=C/C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDZZHBOZOQLRAC-CSKARUKUSA-N", "SMILES:COc1ccc(/C=C/C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRASOHHSDVUPPW-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESVNNLSLAUBKD-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1ccccc1O)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBHTXVGRXFIRMF-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXQKMFBKQYMCQ-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JABUFHYTYRAFQN-BQYQJAHWSA-N", "SMILES:COc1cc(/C=C/C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc(OC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFAXRPODUAPHHE-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWVCMIMOADOIG-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKFUZDBYOBCLNC-JXMROGBWSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAKLWQQSHNRFQP-CMDGGOBGSA-N", "SMILES:COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPJQFRICBXGNW-ZHACJKMWSA-N", "SMILES:COc1cccc(/C=C/C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWHJNAILPOTFFJ-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1cccc(O)c1)N1CCN(Cc2noc(Cc3c[nH]c4ccccc34)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJJKTGLUMJMDJD-VQHVLOKHSA-N", "SMILES:COc1ccc(/C=C/C(=O)N2CCN(Cc3noc(Cc4c[nH]c5ccccc45)n3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBWMZZANOFNENZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTDXVTRZJWWNED-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJIPGNLNDYTAX-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXADKKFXIXGDFC-UHFFFAOYSA-N", "SMILES:COC1CN(Cc2cccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEADHMJRALIYQQ-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOFYOQGMKDZDE-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cc(F)cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHENNLLCPPZNFB-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBYAZHKWDXANQ-UHFFFAOYSA-N", "SMILES:CCN(C)Cc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTSQLQYBCHUHQT-UHFFFAOYSA-N", "SMILES:CCCCCN(C)Cc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCDGRZZUUYYTB-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(CN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFQJQBNYKHQAY-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBZLTEZESFASEJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWVRTAVULXXIO-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccccc3)cccc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAIGHBKHNSKKNM-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPTIRHXQRBSOLZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2c3c(c(NC(=O)NS(=O)(=O)c4cc(C(C)(C)O)co4)c4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HETNKTFSCIEHQT-UHFFFAOYSA-N", "SMILES:COCCOc1ncc(NC(=O)c2cc(C(F)(F)F)nc(-n3ccnc3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATXQAMNJBUHJT-AULYBMBSSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3[nH]c(=O)[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGLNIEHUUPOREK-MQMHXKEQSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3[nH]cnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONCOPFBXMZLBON-CTYIDZIISA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3cn[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNBVAEYEVJPIED-KOMQPUFPSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDUPSWRWUBYDX-HAQNSBGRSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2nccc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMIDJGZPOMNKG-AULYBMBSSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cc(-n3ccnc3)c[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQHHRXXUOUWYRZ-HAQNSBGRSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cncc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFJTLGYLJVJMI-JOCQHMNTSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJGXNPREYJPFV-HAQNSBGRSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2ccnc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVOAIBPJOBVAN-HAQNSBGRSA-N", "SMILES:CO[C@H]1CC[C@H](NC(=O)c2cncc(-c3cn[nH]c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRVSWYDJPDMHMT-HDJSIYSDSA-N", "SMILES:COCCO[C@H]1CC[C@H](NC(=O)c2ccnc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWPHGKHZXGQED-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWDRCLLYJJNFD-TXEJJXNPSA-N", "SMILES:C[C@H]1CC[C@@H](NC(=O)c2ccnc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWDRCLLYJJNFD-HAQNSBGRSA-N", "SMILES:C[C@H]1CC[C@H](NC(=O)c2ccnc(-n3ccnc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQYEZOLYPCEGU-UHFFFAOYSA-N", "SMILES:O=C(NC1CCC(F)(F)CC1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPLYEXKQKNJIW-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCCCC1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBKABUPRVRONDJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCCC1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFMNYYHRPGPLQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEYIZCBWPMRJX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)cc(F)c1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWEXGCXPIZANEH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(F)c1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHQBJOUTIZUST-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(F)c1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEHMBVSMOFYBX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(-n3ccnc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZGAJFFVFHISGY-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCMYXFAZQCEOEQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZUUYBXUIUQLR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSQROYMRCRNXHI-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccnc(-n3ccnc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZTGWOCONWZZOF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)c2ccnc(-n3ccnc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLKVHAZQPTVAAH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYOBRHKVRBRKA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJDOVGNRVROBV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AERCLKWEIBCBDN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncs1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGCJDKNYSIUUCB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)c1ccnc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPMURXCKVNGXKQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALAIYMDMURYRDI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWLJFBVFRPCFU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXMGSHMQWUIKJY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncnc1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKOYJOYLNOHQH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnnc1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOSFQWNOUSNZBP-UUZHKXTQSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJDWTEQWCBJKLD-OACLPKBWSA-N", "SMILES:Cc1nc(C)c(-c2ccc([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](N)C(C)(C)C)cc2)s1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXHZDPNIIOTSH-NSHDSACASA-N", "SMILES:C[C@H]1CCCCN1c1cc(-c2ccccc2O)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDZOPVBNIQCJCD-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccco2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVQZTLPHCJXNB-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXHZDPNIIOTSH-LLVKDONJSA-N", "SMILES:C[C@@H]1CCCCN1c1cc(-c2ccccc2O)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFXZOJMKTYTIY-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(-c2ccccc2O)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZRXTHZVIAAZAP-NSHDSACASA-N", "SMILES:CC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJZDPRYXHWSDF-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJYPZQQLQOFCI-JTQLQIEISA-N", "SMILES:C[C@H]1CCCN1c1cc(-c2ccccc2O)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJYPZQQLQOFCI-SNVBAGLBSA-N", "SMILES:C[C@@H]1CCCN1c1cc(-c2ccccc2O)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFMDWCUFHCSFCR-NSHDSACASA-N", "SMILES:CC[C@H]1CCCN1c1cc(-c2ccccc2O)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRLBOSSSZSLHJB-CQSZACIVSA-N", "SMILES:Nc1nnc(-c2ccccc2O)cc1N1CCC[C@@H]1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZVWWGALUEODH-CQSZACIVSA-N", "SMILES:CC(C)[C@H]1CCCN1c1cc(-c2ccccc2O)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGYSKKTWNREMX-VIFPVBQESA-N", "SMILES:C[C@H]1CCCN1c1cc(-c2ccco2)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYBPGHQQKMZNHT-VIFPVBQESA-N", "SMILES:C[C@H]1CCCN1c1cc(-c2cccs2)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUWVADGBLNVINA-JTQLQIEISA-N", "SMILES:C[C@H]1CCCCN1c1cc(-c2ccco2)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQZFINUAVDFPSU-VIFPVBQESA-N", "SMILES:C[C@H]1CCCN1c1cc(-c2ccc[nH]2)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPKTMFCMLJTLT-VIFPVBQESA-N", "SMILES:C[C@H]1CCCN1c1cc(-c2ccoc2)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADIIFQVRAAYOI-VIFPVBQESA-N", "SMILES:Cc1ccc(-c2cc(N3CCC[C@@H]3C)c(N)nn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYIOSXQKVMNEBD-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccco2)cc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUWVADGBLNVINA-SNVBAGLBSA-N", "SMILES:C[C@@H]1CCCCN1c1cc(-c2ccco2)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFWUGOKLYGJDSO-UHFFFAOYSA-N", "SMILES:Nc1nnc(-c2ccco2)cc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGYSKKTWNREMX-SECBINFHSA-N", "SMILES:C[C@@H]1CCCN1c1cc(-c2ccco2)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSOVTDFGNDCQKR-JTQLQIEISA-N", "SMILES:CC[C@H]1CCCN1c1cc(-c2ccco2)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUDJBOBUGETRX-GFCCVEGCSA-N", "SMILES:Nc1nnc(-c2ccco2)cc1N1CCC[C@@H]1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCYMGNPKOMMLLN-GFCCVEGCSA-N", "SMILES:CC(C)[C@H]1CCCN1c1cc(-c2ccco2)nnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCJASTVQGSKHKZ-QZHJRRRASA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LENALTIGAYYXCJ-WJRUMDEISA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(nn2)CCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDWAGIMJCYBFS-WJRUMDEISA-N", "SMILES:CC(=O)N[C@H]1Cc2cn(nn2)CCCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGQIGBRYQCKSM-HZSZXPACSA-N", "SMILES:CC(=O)N[C@H]1Cc2cn(nn2)CCCC[C@@H](C(=O)N[C@H]2Cc3cn(nn3)CCCC[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORDVLWVWHLBQHS-WJRUMDEISA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCCn2cc(nn2)C[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVBCGBNOOYZNE-WJRUMDEISA-N", "SMILES:CC(=O)N[C@H]1CCCCn2cc(nn2)C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUESKCCVRFONRY-ULHHAIEUSA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCc2cn(nn2)CCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUJGSINWKQUNDT-ULHHAIEUSA-N", "SMILES:CC(=O)N[C@H]1CCc2cn(nn2)CCCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"name": "Pannexin-1", "xref": ["CHEMBL.TARGET:CHEMBL3779756"], "id": "UniProtKB:Q96RD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZGZPWUDCHADE-RHWXQOBGSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVTQPVBDGGQLTA-YSPOSDDXSA-N", "SMILES:CNCCN1CCC(c2cc(CN(C)C(=O)c3cccc(Oc4ccc(OCC(=O)N5CCC(CN6CCC(CN7CCN(CC(=O)N[C@H](C(=O)N8C[C@H](O)C[C@H]8C(=O)N[C@@H](C)c8ccc(-c9scnc9C)cc8)C(C)(C)C)CC7)CC6)CC5)cc4)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWCDZDPENGCFS-UHFFFAOYSA-N", "SMILES:CC1=NNC(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGDAJDXLWCVEJ-XDJHFCHBSA-N", "SMILES:CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHMBMKFELRULG-CAPFRKAQSA-N", "SMILES:CC1=NN(c2ccc(C)cc2)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSNLEQVVAXRTBM-HMMYKYKNSA-N", "SMILES:CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQUQJUOOLFKOSO-LTGZKZEYSA-N", "SMILES:CC1=NN(c2ccc(C#N)cc2)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWOJEJSDIYNCK-HMMYKYKNSA-N", "SMILES:CC1=NN(c2ccccc2Cl)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLTUDYFBGBMDX-RCCKNPSSSA-N", "SMILES:CC1=NN(c2ccc(Cl)cc2Cl)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDRXDTIJYBJAEM-UHFFFAOYSA-N", "SMILES:CC1=NNC(=O)/C1=N/Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULFJNUSHKTYOH-XDJHFCHBSA-N", "SMILES:CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPRNRHVZUXUSQS-CAPFRKAQSA-N", "SMILES:CC1=NN(c2ccc(C)cc2)C(=O)/C1=N/Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXVUWFHZNCLEHV-HMMYKYKNSA-N", "SMILES:CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=N/Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVPOBFJNXNIEGT-LTGZKZEYSA-N", "SMILES:CC1=NN(c2ccc(C#N)cc2)C(=O)/C1=N/Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFIZPJSKLVIVNG-HMMYKYKNSA-N", "SMILES:CC1=NN(c2ccccc2Cl)C(=O)/C1=N/Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBQOFQAPQVSGM-RCCKNPSSSA-N", "SMILES:CC1=NN(c2ccc(Cl)cc2Cl)C(=O)/C1=N/Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSBBUIAGNZFGEL-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)c2nc(-n3ccnc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSJLMFWBUAALRS-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(C(=O)N2CCC(NC(=O)c3nc(-n4cncn4)c4ccccc4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXRRYSRXWYLPU-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)N2CCC(NC(=O)c3nc(-n4ccnc4)c4ccccc4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRCGRQWRHNFCSJ-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIEYMSQTICWOBT-VJFZEJEASA-N", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CN(C[C@H](CC(C)C)NC(=O)CN(C[C@H](CCC(=O)O)NC(=O)CN(C[C@@H](NC(=O)CN(C[C@H](CCCCN)NC(=O)CN(C[C@H](Cc1ccc(O)cc1)NC(=O)CN(C[C@H](CCC(=O)O)NC(=O)CN(C[C@@H](NC(=O)CN(C[C@H](CCCCN)NC(=O)CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C[C@H](CCC(=O)O)NC(=O)CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C[C@H](CCSC)NC(C)=O)S(=O)(=O)c1ccc(OC)cc1)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1)S(=O)(=O)CC(C)C)S(=O)(=O)CCN)[C@H](C)CC)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1)S(=O)(=O)CC(C)C)S(=O)(=O)CCN)[C@H](C)CC)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1)S(=O)(=O)CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMLITLYJAHKBS-KRWDZBQOSA-N", "SMILES:O[C@@]1(C(F)(F)F)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDFXFHDLLSKRX-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLFHWJKASJGQOE-UHFFFAOYSA-N", "SMILES:OCCNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSYEKDMPKFUKT-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMJRHJUXBDDDNK-UHFFFAOYSA-N", "SMILES:OC1CCCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)n3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRUFYYHMKQGXJS-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Nc2nc(Nc3cccc(C(F)(F)F)n3)nc(N3CCCCC3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFOAMFDPPFKLS-UHFFFAOYSA-N", "SMILES:OC1CCCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)n3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKEIPQPMHFRMTN-UHFFFAOYSA-N", "SMILES:OC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)n3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKEIPQPMHFRMTN-ZDUSSCGKSA-N", "SMILES:O[C@H]1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)n3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKEIPQPMHFRMTN-CYBMUJFWSA-N", "SMILES:O[C@@H]1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)n3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWDAGHQOEYXWTO-UHFFFAOYSA-N", "SMILES:OCC(O)CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBHCSYSMWLYGNC-UHFFFAOYSA-N", "SMILES:OCC(CO)Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGCXDZRLTYMQV-UHFFFAOYSA-N", "SMILES:OC1CCCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGCXDZRLTYMQV-QGZVFWFLSA-N", "SMILES:O[C@@H]1CCCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGCXDZRLTYMQV-KRWDZBQOSA-N", "SMILES:O[C@H]1CCCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZVKQTOXBJQBOP-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBWZVQXNOZXFX-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOHMJUIJGNZKHC-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQOKJLKOKGORT-UHFFFAOYSA-N", "SMILES:OCC(O)CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQOKJLKOKGORT-OAHLLOKOSA-N", "SMILES:OC[C@H](O)CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQOKJLKOKGORT-HNNXBMFYSA-N", "SMILES:OC[C@@H](O)CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJJYODUILMCGP-UHFFFAOYSA-N", "SMILES:OCC(CO)Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWAGTWKYNYBRRD-INIZCTEOSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N[C@H]3CCNC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUUTGPYRUVUHN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(NC3CCCNC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNAAWVBBZWQVDU-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMYGUBCHDIVJGQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMKKCBWGEOBKMB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGXVCQCCHMERLL-UHFFFAOYSA-N", "SMILES:NC1CCCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEYZVUVCMNMUHN-UHFFFAOYSA-N", "SMILES:NC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJWSGDQYHKCSN-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBRICGDLSNUHZ-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBMTBFUERRQCK-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCCCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNEKRYAJCIIOFO-UHFFFAOYSA-N", "SMILES:OC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLLRTMHIPPFYSX-UHFFFAOYSA-N", "SMILES:OC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCCOGNCJKNCXMI-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1cnc(-c2cncc(CC(F)(F)F)c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMHFOXSAMBHAZ-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1ncc(-c2ccc3oc(=O)n(C)c3c2)nn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGSHJJPGDKMFP-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ncc(-c2cncc(S(C)(=O)=O)c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYQXXHAZODZNM-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccc(-c2cccnc2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYQXXHAZODZNM-UHFFFAOYSA-N", "SMILES:CC(Nc1ccc(-c2cccnc2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYQXXHAZODZNM-ZDUSSCGKSA-N", "SMILES:C[C@H](Nc1ccc(-c2cccnc2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJNJWJAMIPEKG-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2ccc(-c3cccnc3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRLZDJJYGRXOSK-UHFFFAOYSA-N", "SMILES:CC(C)(Nc1ccc(-c2cccnc2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSEQIVRTSRSSPX-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ccc(-c2cnn(C)c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESUERDEUNCQKX-LLVKDONJSA-N", "SMILES:Cc1noc(C)c1-c1ccc(N[C@H](C)c2ccc(F)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOYVNAFPQVOHLU-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1ccc(-c2cnsc2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNKDKTOGSFYYJE-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ccc(-c2ccc3c(c2)OC(F)(F)O3)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAOXMFXYNRTNQ-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ccc(-c2ccc3oc(=O)[nH]c3c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJIPLRNVHZJDQO-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccc(-c2ccc3oc(=O)n(C)c3c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFGSQGIYPAFUBD-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccc(-c2ccc3c(c2)oc(=O)n3C)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBIVDQJDBGDPU-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ccc(-c2ccc3c(c2)N(C)C(=O)CO3)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XABQDAFNRZDGOY-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccc(-c2ccc3sc(=O)n(C)c3c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZZEINQHDKOGI-CQSZACIVSA-N", "SMILES:Cc1cncc(-c2ccc(N[C@H](C)c3ccc(F)cc3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYAQXWJUWCHLEU-CQSZACIVSA-N", "SMILES:CCc1cncc(-c2ccc(N[C@H](C)c3ccc(F)cc3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGLJJVDGWABSHM-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ccc(-c2cncc(C3CC3)c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEWNGPMDACSEO-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1ccc(-c2cncc(C(F)(F)F)c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNFHYFLLFJURIW-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccc(-c2cncc(S(C)(=O)=O)c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYGCRHAHMNMGCE-OLADXZERSA-N", "SMILES:C[C@@H](Nc1ccc(-c2cncc(S(C)(=N)=O)c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPWUODXGUHTQZ-VPTPNUDRSA-N", "SMILES:CN=S(C)(=O)c1cncc(-c2ccc(N[C@H](C)c3ccc(F)cc3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSSQCGKPDFQZRY-CYBMUJFWSA-N", "SMILES:CCc1cncc(-c2cnc(N[C@H](C)c3ccc(F)cc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYPMSCDIKZFHGA-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1cnc(-c2cncc(CC(F)F)c2)cn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMBFMICPLIVAC-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1ncc(-c2cncc(CC(F)(F)F)c2)nn1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWDQDLHFLQHLOE-FUPPJEDESA-N", "SMILES:Cc1cc(-c2scnc2C)ccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHWATXNRDITKJF-ZRCGQRJVSA-N", "SMILES:COc1cc(-c2scnc2C)ccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIQGXWBRVAKRS-KAGYGMCKSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDUSCDZCJWQTE-KAGYGMCKSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVJZYKQXUYGRI-UNWVZKJWSA-N", "SMILES:Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)ccc1-c1scnc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZRRXSANMCECCY-QMHWCDLVSA-N", "SMILES:COc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)ccc1-c1scnc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWPXWMDKBWUEDW-PIPMEXSNSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBQXUGZRMIRIE-PIPMEXSNSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIXXGGDMRDKMT-JCTONOIOSA-N", "SMILES:Cc1cc(-c2scnc2C)cc(C)c1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CALGVIRTTPEDRQ-LJFZDNNRSA-N", "SMILES:COc1cc(-c2scnc2C)cc(OC)c1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIPLAZJZWAJUJD-QGCDCVKKSA-N", "SMILES:Cc1ncsc1-c1cc(F)c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSWRXPTUBLMAJW-QGCDCVKKSA-N", "SMILES:Cc1ncsc1-c1cc(Cl)c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHPGTOYKAZPYSV-JCTONOIOSA-N", "SMILES:Cc1cc(-c2scnc2C)c(C)cc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOVFSCJKSDYSCD-LJFZDNNRSA-N", "SMILES:COc1cc(-c2scnc2C)c(OC)cc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOOISNCINOQPHV-QGCDCVKKSA-N", "SMILES:Cc1ncsc1-c1cc(F)c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKQQGVJNWMTGCV-QGCDCVKKSA-N", "SMILES:Cc1ncsc1-c1cc(Cl)c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERADYJPWBKHKQ-JCTONOIOSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHGJDQIOZPNKTI-TVTNDZMWSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAKVRVWLDXEPDI-TVTNDZMWSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKVOYJDCPJZFX-HFJQGTKSSA-N", "SMILES:COc1c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)ccc(-c2scnc2C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKYBUHZNFGSDV-UGIARPQZSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JERQPNVMHBKWOC-RZTXVSJASA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQFCWWNERSMJE-SQWJVJANSA-N", "SMILES:Cc1cc(-c2scnc2C)ccc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJLLQBPVXNTEX-DDFQMXDRSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTAPHNUQQSHJDU-RZUBCFFCSA-N", "SMILES:Cc1cc(-c2scnc2C)ccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTMALFVQGEXAL-LKUPVBHCSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJFDXZUGONENG-PIPMEXSNSA-N", "SMILES:Cc1cc(-c2scnc2C)c(F)cc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYJXPRLRNNDPG-GTCCEBARSA-N", "SMILES:COc1cc(-c2scnc2C)c(F)cc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBHYPBDUODSQHJ-DTPUHQDNSA-N", "SMILES:Cc1cc(-c2scnc2C)ccc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPGPPDKBMUPPOH-WYGDDPHOSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNYARHCDHRBYBK-HPRJPVNHSA-N", "SMILES:Cc1cc(-c2scnc2C)c(F)cc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWPAOVSRKMPDRI-SKSOZTCFSA-N", "SMILES:COc1cc(-c2scnc2C)c(F)cc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNCBUDQFXZVNN-SVFBPWRDSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHECONUSIINGSG-DZUOILHNSA-N", "SMILES:N#Cc1ccc(-c2ccccc2)cc1OC(=O)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGKMPMGNJWNKHW-CXDXLJMYSA-N", "SMILES:N#Cc1ccc(-c2ccccc2)cc1NC(=O)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGKMPMGNJWNKHW-XFTNXAEASA-N", "SMILES:N#Cc1ccc(-c2ccccc2)cc1NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)O)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXZNOPMNXOIECX-ORYMTKCHSA-N", "SMILES:COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)Oc1cc(-c2ccccc2)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWQNCDNGRURFR-DZUOILHNSA-N", "SMILES:O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2cccc(-c3ccc4c(c3)OCO4)c2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFRSSGRWCRWPAK-CXDXLJMYSA-N", "SMILES:O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Nc2cccc(-c3ccc4c(c3)OCO4)c2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECOJMYJBUNGJH-ORYMTKCHSA-N", "SMILES:COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)Oc1cccc(-c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECOJMYJBUNGJH-XHPANXIASA-N", "SMILES:COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@@H]1C(=O)Oc1cccc(-c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYOVQDQHHBJOG-VTMRUAGOSA-N", "SMILES:COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@@H]1C(=O)Nc1cccc(-c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEQJVSYVPVBSP-LJWNLINESA-N", "SMILES:N#Cc1ccc(C2=CCOCC2)cc1OC(=O)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQRMIZFCJLKWNZ-BIYDSLDMSA-N", "SMILES:N#Cc1ccc(C2=CCOCC2)cc1NC(=O)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCHRAUNAFWDBJD-KRCBVYEFSA-N", "SMILES:O=C1Cc2ccc(-c3cccc(OC(=O)[C@H]4[C@@H](c5ccccc5)[C@H](C(=O)O)[C@@H]4c4ccccc4)c3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBDBMAGPSSRRAP-SKKKGAJSSA-N", "SMILES:O=C1Cc2ccc(-c3cccc(NC(=O)[C@H]4[C@@H](c5ccccc5)[C@H](C(=O)O)[C@@H]4c4ccccc4)c3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFKXLDACQCGGEI-FWEHEUNISA-N", "SMILES:COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)OC1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHESXCRLIHOYHO-ORYMTKCHSA-N", "SMILES:COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)OCc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSOPLJJUCZXPBV-OMRVPHBLSA-N", "SMILES:COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)NCc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCSJTSJSNNPHR-FPCALVHFSA-N", "SMILES:COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)NC1Cc2ccccc2C1"]}
{"name": "Fatty acid-binding protein, brain", "xref": ["CHEMBL.TARGET:CHEMBL3826863"], "id": "UniProtKB:O15540", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEXWCALYNZPFQM-PWSUYJOCSA-N", "SMILES:Cc1cc(F)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGWAZKHJMFJDT-CVEARBPZSA-N", "SMILES:O=C(Nc1cn2cc(-c3ccccc3CCF)ccc2n1)[C@@H]1C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMGXPZOIIMCEH-HIFRSBDPSA-N", "SMILES:O=C(Nc1cn2cc(-c3cccc(F)c3OCCF)ccc2n1)[C@@H]1C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQGQKJRKUSNOC-UHFFFAOYSA-N", "SMILES:CCOC(=O)CC1Sc2nnc(Cc3ccc(Br)cc3)n2N=C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGPJTANFXCCTH-UHFFFAOYSA-N", "SMILES:O=C(O)CC1Sc2nnc(Cc3ccc(Br)cc3)n2N=C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQUMUXSGKIACDN-UHFFFAOYSA-N", "SMILES:NC12CC3CC(C1)CC(NCC(=O)N1Cc4ccccc4C1)(C3)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPGFXSPTZPFRDZ-UHFFFAOYSA-N", "SMILES:NC12CC3CC(C1)CC(NCC(=O)N1Cc4ccc(F)cc4C1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUFZNZYBOGBFPL-UHFFFAOYSA-N", "SMILES:CCCCNC12CC3CC(C1)CC(NCC(=O)N1Cc4ccccc4C1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRGMTLIHGLXIQ-UHFFFAOYSA-N", "SMILES:N#CCCCCNC12CC3CC(C1)CC(NCC(=O)N1Cc4ccccc4C1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVOYBSATKUKQRO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CNC23CC4CC(CC(NCC(=O)N5Cc6ccccc6C5)(C4)C2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZJGIJHTIKBID-UHFFFAOYSA-N", "SMILES:O=C(CNC12CC3CC(C1)CC(NCC(=O)N1Cc4ccccc4C1)(C3)C2)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQRTTAPDSDCPH-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDIOKWJLFYZDC-UHFFFAOYSA-N", "SMILES:CC(C)CCNC(=O)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDZOFGOMFUHMCC-UHFFFAOYSA-N", "SMILES:CCC(C)(C)NC(=O)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKMAYATWHDBJP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEPKQJRLMUNPH-UHFFFAOYSA-N", "SMILES:O=C(NCCF)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTFNRCGHAAYJZ-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCCNC(=O)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMGLXROFKQVGL-UHFFFAOYSA-N", "SMILES:O=C(NCCCCO)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWXDDRJCAXAKK-UTWNGQRISA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGNCLBXJMSXAB-UHFFFAOYSA-N", "SMILES:NCCNC(=O)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNKYAFNINPPRM-UHFFFAOYSA-N", "SMILES:NCCCCNC(=O)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXLTXUBGRHULV-UHFFFAOYSA-N", "SMILES:NCCCN1CCN(CCCNC(=O)OC23CC4CC(CC(NCC(=O)N5Cc6ccccc6C5)(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJIFRWLCXKWRT-UHFFFAOYSA-N", "SMILES:O=C(CNC12CC3CC(C1)CC(OC(=O)N1CCNCC1)(C3)C2)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJMPTCVRXGLLV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIMVJRFIXCZNKV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1F)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKRAIYEGQQWTP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVWSNDOWPJFWMM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccn1)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVQSLDPLJHGJF-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEZNNTYFJFRGE-UHFFFAOYSA-N", "SMILES:O=C(NCCCc1ccccc1)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNQFYDFLXGMRRF-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccccc1)c1ccccc1)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUABBNVSOFJQCW-UHFFFAOYSA-N", "SMILES:O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGASKAICSMNPY-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLVGJZXGNZNIR-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(O)(C3)C1)C2)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPLGBXPYAWCJM-UHFFFAOYSA-N", "SMILES:Cl.Cl.NC12CC3CC(C1)CC(NC(=O)OC14CC5CC(CC(NCC(=O)N6Cc7ccccc7C6)(C5)C1)C4)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOFRISURGKKQT-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(C1)CC(OCc1ccc(F)cc1F)(C3)C2)OC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUSSKBPOXCRZHI-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2)OCC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHHIPIYSSRAMJE-UHFFFAOYSA-N", "SMILES:CC(C)(OC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2)C(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTNLKHCECIXOZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUTDPSLQKVFTBP-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccc(F)cc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYOHEUZJJMWWMD-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5cc(F)c(F)cc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNAJQLHWXFJIE-UHFFFAOYSA-N", "SMILES:CC(C)(C)COC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJUOBRQREFSZQT-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2)OCC(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFCLOWVNXOOHV-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYNQKHKLYGOOQQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccc(F)cc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXUCSUADPDQHDI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5cc(F)c(F)cc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESAPCYKWYCOCG-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCHCTFSFPYSDK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVSZEZTHMVVPK-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHKZCGIWWLLMY-UHFFFAOYSA-N", "SMILES:O=C(CNC12CC3CC(C1)CC(NC(=O)C14CC5CC(CC(C5)C1)C4)(C3)C2)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCKDFTXMPMFMU-UHFFFAOYSA-N", "SMILES:O=C(CNC12CC3CC(C1)CC(NC(=O)C14CC5CC(CC(C5)C1)C4)(C3)C2)N1Cc2ccc(F)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHPKRKNEVBEWFD-UHFFFAOYSA-N", "SMILES:O=C(CC12CC3CC(CC(O)(C3)C1)C2)NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVRVDHZIDRUAW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CCC(=O)NC23CC4CC(CC(NCC(=O)N5Cc6ccccc6C5)(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBKJMNHXRBNCH-XGOZYYKOSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"name": "Glomulin", "xref": ["CHEMBL.TARGET:CHEMBL5465342"], "id": "UniProtKB:Q92990", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCERYAUIZMAWPO-CNSWMUILSA-N", "SMILES:N[C@H](C(=O)N1Cc2ccccc2C1)C1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIZANXLQHHSEE-UHFFFAOYSA-N", "SMILES:CCCCOC12CC3CC(CC(NCC(=O)N4Cc5ccccc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQXMLDWDMQPLM-UHFFFAOYSA-N", "SMILES:CCC1(CC)C(=O)N(c2cccc(CN3CCN(Cc4cccc5ccccc45)CC3)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWMJNVUDKLLXAI-YDHLFZDLSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATWNGLKRPPFRJ-YDHLFZDLSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXGFORNSISLTTB-DZKIICNBSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5424738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYUKJNGCYVMNAJ-ZOBUZTSGSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADISGBQVYFRLKB-ONTIZHBOSA-N", "SMILES:NS(=O)(=O)c1ccc(N(Cc2ccccc2)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNMVCGWTYPYMX-FUDKSRODSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2ccccc2)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIBXWPVTUDWSAY-FIXSFTCYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccccc2)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNCVTHLRVNSSBF-LSQMVHIFSA-N", "SMILES:COc1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCNTSFHNCDCDJ-FIXSFTCYSA-N", "SMILES:O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)N(CCc2ccccc2)Cc2ccc(F)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCWHNLYGWNYPC-GNKBHMEESA-N", "SMILES:CN(C)c1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQUWEVAYCADWIY-NSVAZKTRSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccc3ccccc3c2)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPWNWLVDXHWRML-ONTIZHBOSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccs2)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPFRQZLLDKZGB-LNLFQRSKSA-N", "SMILES:NS(=O)(=O)c1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGROUBRFXAGLCW-ZKWXMUAHSA-N", "SMILES:NS(=O)(=O)c1nnc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGFSNUZSQCPLL-YDHLFZDLSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRPPKCKSMVOBSW-VGQGPFSMSA-N", "SMILES:Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNGWLNOBGSCVTK-BQFCYCMXSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCNMNIHMDLVOM-BQFCYCMXSA-N", "SMILES:NS(=O)(=O)c1cccc(-n2cc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQQINZDUKHAUGJ-LNLFQRSKSA-N", "SMILES:NS(=O)(=O)c1ccc(Cn2cc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCLBKQIMYAQPY-BJLQDIEVSA-N", "SMILES:NS(=O)(=O)c1ccc(CCn2cc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUZPBWAZBJQLD-KKUMJFAQSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)NCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXXVSKZULVAJOF-JYJNAYRXSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)NCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEMPUAWUDAMJBV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNEYUUGREJABII-QFIPXVFZSA-N", "SMILES:Cc1ccc(C2=C(n3cnnn3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERWEYNCQFSZRS-QFIPXVFZSA-N", "SMILES:Cc1ccc(C2=C(n3ncnn3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBCCQMFRUOUCBZ-DEOSSOPVSA-N", "SMILES:Cc1ccc(C2=C(n3ccnc3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMZNAUMLDUKGH-QHCPKHFHSA-N", "SMILES:Cc1ccc(C2=C(n3ccnn3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDKJMWFYBKZWNK-QFIPXVFZSA-N", "SMILES:Cc1ccc(C2=C(n3nn[nH]c3=O)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMKCAAHTWLJHQ-NRFANRHFSA-N", "SMILES:Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEUZUKOEKHJQBO-FQEVSTJZSA-N", "SMILES:Cc1cnc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIOXSBAKMRVPHB-NRFANRHFSA-N", "SMILES:O=C1N[C@@](c2ccc(OCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ncc(C3CC3)s2)=C1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4457459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCIJLERLWKVYMC-QFIPXVFZSA-N", "SMILES:O=C1N[C@@](c2ccc(OCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ccc(C3CC3)s2)=C1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUEJXKUYWMDCNQ-QFIPXVFZSA-N", "SMILES:O=C1N[C@@](c2ccc(OCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ccn(CC3CC3)n2)=C1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418882", "category": ["biolink:ChemicalEntity"], "name": "BMS-986172", "xref": ["InChIKey:VFFPVFKSCNJAMO-QFIPXVFZSA-N", "SMILES:O=C1N[C@@](c2ccc(OCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ccn(CC3CC3)n2)=C1n1nn[nH]c1=O"], "synonym": ["Bms-986172"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJHRZJLIRYDBY-NRFANRHFSA-N", "SMILES:O=C1N[C@@](c2ccc(OCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ncc(C3CC3)s2)=C1n1nn[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFFNWRKSILLVMU-NRFANRHFSA-N", "SMILES:CCc1ccc(C2=C(n3nn[nH]c3=O)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)s1"]}
{"name": "Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2375206"], "id": "UniProtKB:Q09327", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVTVKXBZJAPCZ-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2cc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXICKORQVKFYCH-UHFFFAOYSA-N", "SMILES:O=c1ccc2cc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKWSRUWNMWEHHA-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDLQICELPDAMN-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2C=NC3C2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXDEXPBXSWIIX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1nc2cnccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONERDDXSJZDORS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1cnc2cnccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNTLHMWSXPLZHV-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(C(=O)Nc3ccc4[nH]nc(-c5ccoc5)c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGXIWSRADSNICD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTIUVYJRXSHOEU-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVASITBCDHZGLH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGLHKWQUJCWMW-UHFFFAOYSA-N", "SMILES:COCc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMYXOYNLNGNINC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2ccc3[nH]nc(C4CC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBYYXOCVDBPZHT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)CN(c1ccc3[nH]nc(C4CC4)c3c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEYBUGAFPXNVDQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)CCN(c1ccc3[nH]nc(C4CC4)c3c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQMYMSXKAFCRD-IBGZPJMESA-N", "SMILES:N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc2[nH]nc(-c3ccoc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQMYMSXKAFCRD-LJQANCHMSA-N", "SMILES:N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc2[nH]nc(-c3ccoc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSAMCNRSDAXVFM-SFHVURJKSA-N", "SMILES:Cc1n[nH]c2ccc(O[C@H]3CCc4cc(C#N)ccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSAMCNRSDAXVFM-GOSISDBHSA-N", "SMILES:Cc1n[nH]c2ccc(O[C@@H]3CCc4cc(C#N)ccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEWUVYRFGKBJCM-IBGZPJMESA-N", "SMILES:Cc1n[nH]c2ccc(O[C@H]3CCCc4cc(C#N)ccc43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNLOAINBLZPTI-SFHVURJKSA-N", "SMILES:N#Cc1ccc2c(c1)CC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOEQEFOKCGXVIK-IBGZPJMESA-N", "SMILES:N#Cc1ccc2c(c1)CCC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXENIAKRKWXMDC-SFHVURJKSA-N", "SMILES:N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2[nH]nc(-c3cnco3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNXZAJGPSRCNR-VWLOTQADSA-N", "SMILES:N#Cc1ccc2c(c1)CCC[C@@H]2Oc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKRDYVNGGOEGPZ-INIZCTEOSA-N", "SMILES:N#Cc1ccc2c(c1)[C@@H](Nc1ccc3[nH]nc(Br)c3c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOPQXJGCGZEPZ-SFHVURJKSA-N", "SMILES:N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc2[nH]nc(-c3cnoc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOVRTIPCNFERHY-VIFPVBQESA-N", "SMILES:CN[C@@H](C)Cc1ccc2occc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5431933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOVRTIPCNFERHY-SECBINFHSA-N", "SMILES:CN[C@H](C)Cc1ccc2occc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5400905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAAURQYEAEHBO-VIFPVBQESA-N", "SMILES:CN[C@@H](C)Cc1ccc2ccoc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAAURQYEAEHBO-SECBINFHSA-N", "SMILES:CN[C@H](C)Cc1ccc2ccoc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEZPBCLIKEASW-UHFFFAOYSA-N", "SMILES:CCC(Cc1ccc2occc2c1)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEZPBCLIKEASW-LBPRGKRZSA-N", "SMILES:CC[C@@H](Cc1ccc2occc2c1)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDZDORQOMAGGH-UHFFFAOYSA-N", "SMILES:CCC(Cc1ccc2ccoc2c1)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDZDORQOMAGGH-LBPRGKRZSA-N", "SMILES:CC[C@@H](Cc1ccc2ccoc2c1)NC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZGRACLZFHCFE-UHFFFAOYSA-N", "SMILES:CNC(C)C(=O)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZYQYVVTRVJIPK-UHFFFAOYSA-N", "SMILES:CNC(C)C(=O)c1ccc2ccoc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRMMWPHHBBRHZ-UHFFFAOYSA-N", "SMILES:COCCSC(=S)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4c(OC)cccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOFIDUZXICWTJ-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCCN(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQUQXDCRHNUEBT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCSC(=S)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4c(OC)cccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTMCQNRVDIHMG-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCCN3CCCCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJHHQDCAVOBON-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCCN3CCCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFISLPZOMJWBG-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCCN3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRVCFBJGIWYRGY-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCCN3CCN(C)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLCGYSJWILHEW-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(N)=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWNNFZVPGJMZEG-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(=O)N(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEVLNPKSIWFQP-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CSC(=S)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4c(OC)cccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGOVTMLLXZBSHZ-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBNFHFRAZDQNM-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(=O)N3CCN(C)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOBDMZOFSXEFLG-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(=O)N3CCN(S(C)(=O)=O)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCPQNXULLAVRH-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(=O)N3CCCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVXOIDMYNXYMG-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(=O)N3CCN(C4CCCC4)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISPIQCSGINVQL-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(=O)NC3CCCCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTITYXOIQBKCBW-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(=O)NC3CCCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZBXVRNZQFZNZ-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(=O)NC3CCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGOHQFHVGUHOFE-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=S)SCC(=O)NC3CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXCSRHVITGYTRY-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCC(=O)N(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTKUYIEQUJVAO-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)CSC(=S)N1CCN(c2cc(N3CCOCC3)nc(-n3c(C(F)F)nc4c(OC)cccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWYSOWNDOKVBG-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCC(=O)N3CCCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRNCLSYLICSNRO-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCC(=O)N3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZWPZQZKYLVGRD-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCC(=O)NC3CCCCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAACIAIGHDJJPR-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCC(=O)NC3CCCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMYPOHGEKCJRED-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCC(=O)NC3CCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPJHRCMPMVVSD-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCC(=O)NC3CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LINNWTQBNLSYFA-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCCN(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COUPTKGLLKMMGC-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCCN3CCN(C)CC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLKHTDAZVSRSNK-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCCN3CCOCC3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGGKMGUVBACKF-UHFFFAOYSA-N", "SMILES:COCCSC(=S)N1CCN(c2cc(N3CCOCC3)nc(-n3c(C(F)F)nc4c(OC)cccc43)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVUSTBSGHJLRDY-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=S)SCC(N)=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMSAWFLHAWKHA-HNNXBMFYSA-N", "SMILES:NC(=O)CN(NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(Cl)cc2)CCC1)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJCXJCKRAPWXQM-INIZCTEOSA-N", "SMILES:C#Cc1ccc(C2(C(=O)N3CCC[C@H]3C(=O)NN(CC(N)=O)C(=O)CF)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYMOAAMGREIHP-IBGZPJMESA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)NN(CC(N)=O)C(=O)CF)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWCVHFLLLUCVDQ-KRWDZBQOSA-N", "SMILES:C#CCOc1ccc(C2(C(=O)N3CCC[C@H]3C(=O)NN(CC(N)=O)C(=O)CF)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFHHHIYSQYVKBA-IBGZPJMESA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)NN(CC(N)=O)C(=O)CCl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCMYTLPYXINQD-AWEZNQCLSA-N", "SMILES:NC(=O)CN(NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNMAHSRFHRCHU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)NC2CS(=O)(=O)C2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNESJMONQIAVQF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)NCc2ccnn2C)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYHNGWAOGVTPF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(-c2cncc(C#N)c2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMGPADNQISUKZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)NCc2ccnn2C)cc1NC(=O)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZZZDIVUDLYJU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)NC2CS(=O)(=O)C2)cc1NC(=O)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZOQSJZEIAGHE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)NCc2nccs2)cc1NC(=O)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JASZXNKDDQMTQK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)NCc2ccn(C)n2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKPTVKFXGKJDCG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)NCc2ccc(Cl)cc2)cc1NC(=O)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYEJWLXDAPBYSO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)NCC2CC(F)(F)C2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXZMXRHDTWOHB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)NC2CC(F)(F)C2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKNDXQBDYPJJPO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)Nc2ccncc2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZMSNODPBDJCHU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1ncc(C(=O)NC2C[S+]([O-])C2)cc1NC(=O)c1csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUJIFCXNOSSUIZ-NVHKAFQKSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC21CC1)C[C@H](C(=O)NC1CCc2ccc(F)cc21)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTMRTMPQOXICD-JTSKRJEESA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC21CC1)C[C@H](C(=O)N[C@H]1CCc2cccc(F)c21)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANQVPACDBHKNNT-SFTDATJTSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC21CC1)C[C@H](C(=O)N[C@H]1CCc2ccccc2C1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXPDYXENZABNY-NVHKAFQKSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC21CC1)C[C@H](C(=O)NC1CCc2cc(F)ccc21)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYOHNTUYAGWMB-SFHVURJKSA-N", "SMILES:Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC21CC1)C[C@H](C(=O)N(C)C1CCC(C)(C)CC1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWPEJXMRXSRDD-KRWDZBQOSA-N", "SMILES:CCCN(CCC)C(=O)[C@@H]1Cc2sc3c(c2C1)C(c1ccccc1Cl)=NC1(CC1)c1nnc(C)n1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKVLRSTJMGUBV-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CNCCOC)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYMSIPINLJNNOU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVCCYRAHPMMFKT-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4cn(C)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYOMJFNMMYKWIC-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccccn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSSTODNJVPLDR-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CCN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBYRCBPMOJSTO-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(OCCN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYTGPUFDTMRMGN-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN(CCOC)C(=O)OC(C)(C)C)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVQQAXADCOEAFY-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGRZLPCJGDFXPZ-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCN(C)CC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNOVAQBIZXPLCM-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(OC)CC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEGZFDMLDSCPCL-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(F)CC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPWZUTMZDMEYNN-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(F)(F)CC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRFPJIFLJCRBPN-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CC(OC)C5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWBCJBPUQVZMH-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CC(F)C5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXMIOUYMCGAMH-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CC(F)(F)C5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOMDBGTRJUFPZ-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(OC)C5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPIGUVWKAJKWPY-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(F)C5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMRKWFHJQXRVCO-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(F)(F)C5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVBHKULZWFACFT-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAOMDSFBEZLNJU-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRHDFJKDKIZQEB-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1cc(F)c(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVBULFWMRQZKW-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYUVWYIJYKDBC-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2cccc(F)c2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTFHGKFUJAPEF-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIAWULPTPJION-UHFFFAOYSA-N", "SMILES:CCOc1ccn(-c2ccc(C(F)(F)F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHMQPCFDIRLOV-UHFFFAOYSA-N", "SMILES:CCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHDOWQOQSPXFS-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWXPECHBXCSPES-UHFFFAOYSA-N", "SMILES:CCCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFCLGZSGCYFIT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1)c1c(OCCC2CC2)ccn(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYSJYQFXKXQTH-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQEVADFECRXULA-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2ccn(-c3ccc(F)cc3)c(=O)c2C(=O)Nc2ccc(Oc3ccnc4cc(-c5ccc(CN6CCOCC6)cn5)sc34)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYALHYOWOCAED-UHFFFAOYSA-N", "SMILES:CN1CCC(COc2ccn(-c3ccc(F)cc3)c(=O)c2C(=O)Nc2ccc(Oc3ccnc4cc(-c5ccc(CN6CCOCC6)cn5)sc34)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJLPEPHMDZDEC-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)NCc1cc(-c2ccc(OC(F)(F)F)cc2)c2c(c1CO)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCYMBUDPUSDIK-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1cc(-c2ccc(OC(F)(F)F)cc2)c2ncn(C)c2c1C#CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEAPHBAEPGSQPT-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(c2nc(-c3ccc(OC(F)(F)F)cc3)c3ncn(C)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNWBFIHIFCYKC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)Cc1cc(-c2ccc(OC(F)(F)F)cc2)c2c(c1CO)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTORWETWLFGNQW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(c2nc(-c3ccc(OC(F)(F)F)cc3)c3ncsc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAALNNWDTHSDCS-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(-c3ccc(OC(F)(F)F)cc3)nc(C3CN(C(=O)C4=CCC4)C3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSXNRFDNBGIHDA-OHUWEZGZSA-N", "SMILES:C[C@H](Oc1nc2c(F)c(-c3c[nH]c4ccccc34)c(CCC#N)cc2c2c1NC(=O)CN2C1C2CNC1C2)[C@@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCEXGQIBZAVTMB-SJFQRJNKSA-N", "SMILES:C[C@H](Oc1nc2c(F)c(-c3cccc4ccc(F)cc34)c(CCC#N)cc2c2c1NC(=O)CN2C1C2CNC1C2)[C@@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBEVVZZVXDVGDC-GBBBWYFLSA-N", "SMILES:C[C@H](Oc1nc2c(F)c(-c3cc(O)cc4ccc(F)cc34)c(CCC#N)cc2c2c1NC(=O)CN2C1C2CNC1C2)[C@@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWVBJHILWIKATN-QSVFGRIBSA-N", "SMILES:C[C@@H](Oc1nc2c(F)c(-c3cc(O)cc4ccccc34)c(CCC#N)cc2c2c1CCCN2C1C2CNC1C2)[C@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHPTJUHJWEXPA-QOWZWFLQSA-N", "SMILES:Cc1cc2c(nc(O[C@@H](C)[C@H]3CCCN3C)c3c(=O)ccn([C@@H]4[C@@H]5CN[C@H]4C5)c32)c(F)c1-c1cccc2c1C(C#N)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJSJSQDHVGNEQ-YTANFLETSA-N", "SMILES:C[C@H](Oc1nc2c(F)c(-c3cccc(Cl)c3Cl)c(CCC#N)cc2c2c1c(=O)c(N1CCCC1=O)cn2[C@@H]1[C@@H]2CN[C@H]1C2)[C@H]1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAUAPNJFWPNCAE-HXUWFJFHSA-N", "SMILES:O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccc2cnc(NC3CCOCC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4112022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDLDUDKFDXGWAV-HXUWFJFHSA-N", "SMILES:O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccc2cnc(NC3CCOCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUFHEYLXCCDOW-GOSISDBHSA-N", "SMILES:O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccc2cnc(NC3CCOCC3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3298678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRJASQFNLOAKZ-LJQANCHMSA-N", "SMILES:O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)N1CCc2cnc(NC3CCOCC3)nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTUBXCJDLCATJL-NSHDSACASA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ncc3ccc(C(=O)N4CC[C@@H]4C)nc3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLVUBHZJVJLRX-APPDUMDISA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2ncc3ccc(C(=O)N4C[C@@H](OC)[C@@H]4C)nc3n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKPIRPFTXCPRL-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLIJQJQNLNBNLK-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Cc2cc(C(F)(F)F)c(=O)[nH]n2)c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNIGAJREYJGIJY-UHFFFAOYSA-N", "SMILES:O=C(CCCNc1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVXXGYYIFRBAL-LBPRGKRZSA-N", "SMILES:O=C([C@@H](O)CCNc1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYTWGBFZMCREV-AWEZNQCLSA-N", "SMILES:O=C(CC[C@@H]1CCCN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUOFKFLZDKSRD-HNNXBMFYSA-N", "SMILES:O=C(CC[C@@H]1CCCCN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLXGAYXLKHGWNS-UHFFFAOYSA-N", "SMILES:CN(CCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)c1cc(C(F)(F)F)c(=O)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDFOEKWOBCVHSC-UHFFFAOYSA-N", "SMILES:CCN(CCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)c1cc(C(F)(F)F)c(=O)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKBKCOIFKTZOV-UHFFFAOYSA-N", "SMILES:O=C(CCCN(c1ccccc1)c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXSAOHFTWQOQJ-UHFFFAOYSA-N", "SMILES:O=C(CCC1Cc2ccccc2N1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHKKRULKFQDLAC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(CNC(=O)c2ccc(Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNOXQQZEYKQPJ-LJQANCHMSA-N", "SMILES:NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(N2CCCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVUPCVGGWLBWQT-LJQANCHMSA-N", "SMILES:NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYRPLEIPEPDELZ-GOSISDBHSA-N", "SMILES:NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)c1ccc(N2CCCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJMKHAGMJOJND-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)CCN(C(=O)c1cnn(CC3CCCCC3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAROAQKWPXTCIJ-UHFFFAOYSA-N", "SMILES:NC(=O)Cn1c(=O)n(C2CCN(C(=O)c3cnn(CC4CCCCC4)c3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGMQHFDBAUCKIB-UHFFFAOYSA-N", "SMILES:NC(=O)Cn1c(=O)n(C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMHDZXJXDGGOAF-UHFFFAOYSA-N", "SMILES:NC(=O)COc1ccc2c(c1)CCc1ccccc1C2NC(=O)c1ccc(Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTOUFNBZKWLGSI-UHFFFAOYSA-N", "SMILES:Cc1cccn2cc(C(=O)NC3c4ccccc4CCc4cc(OCC(N)=O)ccc43)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRCCCIDUPPGDL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(CNC(=O)c2csc(Cc3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKXRDFBSGQANE-JDPILQOFSA-N", "SMILES:CCCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCOC)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(CC)CC)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDIHHBXNNFCHHL-WPXBTSPOSA-N", "SMILES:COCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](C)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRIDLWGNCJTCSL-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccc(OCCN(C)C)cc4C3)ccc2O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWZYUOOWKPAKRU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccc(OCCCN(C)C)cc4C3)ccc2O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZNTNSSUCFIFW-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccc(OCCCCN(C)C)cc4C3)ccc2O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZANHVQHQKHZPQQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccc(OCC[N+](C)(C)C)cc4C3)ccc2O)cc1C.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFFMKAIWPLJQC-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccc(OCCC[N+](C)(C)C)cc4C3)ccc2O)cc1C.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYVKYXVJNVOCE-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccc(OCCCC[N+](C)(C)C)cc4C3)ccc2O)cc1C.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGSNBZYGEZILRK-UHFFFAOYSA-N", "SMILES:CC[N+](C)(C)CCOc1ccc2c(c1)CN(C(=O)c1ccc(O)c(Sc3ccc(C)c(C)c3)c1)C2.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGPSIUXFQBOBS-UHFFFAOYSA-N", "SMILES:CC[N+](C)(C)CCCCOc1ccc2c(c1)CN(C(=O)c1ccc(O)c(Sc3ccc(C)c(C)c3)c1)C2.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEMEOCCSKWKLT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccc(OCCC[N+](C)(C)[O-])cc4C3)ccc2O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGPOHPNDACUXMV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccc(OCCCC[N+](C)(C)[O-])cc4C3)ccc2O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZLIETFCBZYJNU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccc(OCC[N+](C)(C)Cc5ccccc5)cc4C3)ccc2O)cc1C.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PORQFFGHTQUJHU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2cc(C(=O)N3Cc4ccc(OCCC[N+](C)(C)Cc5ccccc5)cc4C3)ccc2O)cc1C.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPZBOHUHUQVYMM-NHCUHLMSSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(OCCCCCOc3ccc4c(c3)C=CN(C)C(=O)[C@@H]4C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMYGYOKYQBENRX-RTBURBONSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(OCCCOc3ccc4c(c3)C=CN(C)C(=O)[C@@H]4C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVCPXGIAZLACO-QZTJIDSGSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4c(c3)C=CN(C)C(=O)[C@@H]4C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4519518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHHAPUXBKBYIIK-GOSISDBHSA-N", "SMILES:C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ccc4nncn4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZUVKPXJAZFJJR-WOJBJXKFSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(OCCCCOc3ccc4c(c3)C=CN(C)C(=O)[C@@H]4C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLTIAQHQEZGHPJ-DHIUTWEWSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(OCCCCCCCOc3ccc4c(c3)C=CN(C)C(=O)[C@@H]4C)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVFSPWDFTGUICO-UHFFFAOYSA-N", "SMILES:CC1C(=O)N(C)C=Cc2ccc(OCCCCCOc3ccc4c(c3)C(C)C(=O)N(C)C=C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UITNGRDMCGDKRV-UHFFFAOYSA-N", "SMILES:CC1C(=O)N(C)C=Cc2ccc(OCCCCCCOc3ccc4c(c3)C(C)C(=O)N(C)C=C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGOHNIGBBSGMEG-FGZHOGPDSA-N", "SMILES:C[C@H]1C(=O)N(C)C=Cc2cc(CN3CCN(Cc4ccc5c(c4)C=CN(C)C(=O)[C@@H]5C)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMCCVJYWUQKAO-UHFFFAOYSA-N", "SMILES:Cc1cc(NCCOCCOCCOCCOCCOCCN)ccc1C(=O)Nc1nc(C)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSDFTJXPRAZBZ-GOSISDBHSA-N", "SMILES:Cc1cnc(Nc2cccc(S(C)(=O)=O)c2F)nc1-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRBIACRKQZTJW-HSZRJFAPSA-N", "SMILES:CC[C@H](C(=O)Nc1cccc2c(-c3nc(Nc4cccc(S(C)(=O)=O)c4F)ncc3C)c[nH]c12)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLNDAGZFQOBBH-HSZRJFAPSA-N", "SMILES:COC[C@H](C(=O)Nc1cccc2c(-c3nc(Nc4cccc(S(C)(=O)=O)c4F)ncc3C)c[nH]c12)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGEQQUWHBWTKEQ-MRXNPFEDSA-N", "SMILES:C[C@H](C(=O)Nc1cccc2c(-c3nc(Nc4cccc(S(C)(=O)=O)c4F)ncc3F)c[nH]c12)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJUARKYQFZUURR-JOCHJYFZSA-N", "SMILES:CC[C@H](C(=O)Nc1cccc2c(-c3nc(Nc4cccc(S(C)(=O)=O)c4F)ncc3F)c[nH]c12)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447181", "category": ["biolink:ChemicalEntity"], "name": "LONDAMOCITINIB", "xref": ["InChIKey:JNUZADQZHYFJGW-JOCHJYFZSA-N", "SMILES:COC[C@H](C(=O)Nc1cccc2c(-c3nc(Nc4cccc(S(C)(=O)=O)c4F)ncc3F)c[nH]c12)N1CCN(C)CC1"], "synonym": ["Londamocitinib", "Londamocitinib", "Londamocitinib", "Azd4604", "AZD-4604"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3650993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJBRIBWWNKAGEO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTYPLCWASEQQI-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1878819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXKDNEGPEZPGGZ-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1c(CCCO)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZCTXIDFPAQFK-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1)NCc1nnc2ccc(-c3ccc(F)cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCQSVTPIFUGZOW-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)c1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REASVJUGEBBOAJ-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTEXYNVGPMOTPG-UHFFFAOYSA-N", "SMILES:CSc1ccc(Cc2c(O)c3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGWRBQQNFQZIGS-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVIZVCLJKSKIKB-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2c(O)c3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCCGYCTMWPXKL-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2c(O)c3ccccc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWPYRHJNWKQSLV-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1Cc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJHHNJPPWCQDM-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJJDBBUWWOAOLD-PCCVJEDISA-N", "SMILES:CC(C)=CCC/C(C)=C\\CC/C(C)=C\\Cc1c(O)c2ccccc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL233451", "category": ["biolink:ChemicalEntity"], "name": "BRODIFACOUM", "xref": ["InChIKey:VEUZZDOCACZPRY-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(O)c1C1CC(c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232230", "category": ["biolink:ChemicalEntity"], "name": "WARFARIN ALCOHOL", "xref": ["InChIKey:ZUJMMGHIYSAEOU-UHFFFAOYSA-N", "SMILES:CC(O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL397932", "category": ["biolink:ChemicalEntity"], "name": "ISOPRENYLCOUMARIN", "xref": ["InChIKey:YRWFXMOTWDSLNX-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QATIZTLQXHYBTO-LWHGMNCYSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4595425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PALTUSLCLFDFQQ-MGPUTAFESA-N", "SMILES:Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHJMPYMFPPTBO-VASSOYJASA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)OCCn1nccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCPVVQGHBNHKZ-WRRDZZDISA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)c(F)c(F)c1)c1ccc2c(c1)OCCn1nccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDGECIXHSBSCL-KUGOCAJQSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1cc2c(s1)CCCn1nccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJONKAYKMAYMQV-QVNYQEOOSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1cc2c(s1)CCCn1ncc(Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZNSHVDUSMSIOO-UFRBEDTPSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)CCCn1ncc(Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQNZXVADOZFBKD-UFRBEDTPSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)CCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZZTXXXCNMNHR-QVNYQEOOSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1)c1cc2c(s1)CCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMFWFWBWFMZFQ-SQQLFYIASA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1cc2c(s1)OCCn1ncc(Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMCPVYUMQBPDJ-SQQLFYIASA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSBSCHBNGYCXFG-LWHGMNCYSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBUGJKNAGFWPP-SQQLFYIASA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QATIZTLQXHYBTO-KELGLJHESA-N", "SMILES:Cl.O=C(N[C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTBNAMWQMDXFU-DFIJPDEKSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)c(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDKHQWVWYJNLMW-DFIJPDEKSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)c(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMDGQFATJMXIF-LWHGMNCYSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(C(F)(F)F)c(Cl)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHRATHFCVVGQA-WRRDZZDISA-N", "SMILES:CCc1cnn2c1-c1cc(C(=O)N[C@@H]3CNCC[C@H]3c3ccc(F)c(F)c3)sc1OCC2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKDWAXXZCUBKQD-VKLKMBQZSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1)c1ccc2c(c1)OCCn1nccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIGACJHQJAQVBE-YFUYRHFLSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1)c1ccc2c(c1)OCCn1ncc(Cl)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLWSSOYAQSHLRL-QVNYQEOOSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1cc2c(s1)CCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRONFOWTLYKACL-OZIFAFRSSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)OCCn1nccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJFOEHNDCMXKFE-KPVRICSOSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1)c1cc2c(s1)OCCn1nccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQSURLBTGTTYKQ-LWHGMNCYSA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(Cl)c(C(F)(F)F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCPIVLCHMZNGAP-SQQLFYIASA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)c1cc2c(s1)OCCn1ncc(Br)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGIVBZHUAPCBOP-WRRDZZDISA-N", "SMILES:Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)OCCn1ncc(CCO)c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZRXSFATSCQMK-IFXJQAMLSA-N", "SMILES:CC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc3c(s2)OCCn2ncc(Br)c2-3)C1"]}
{"name": "Proline-rich AKT1 substrate 1", "xref": ["CHEMBL.TARGET:CHEMBL5465541"], "id": "UniProtKB:Q9D1F4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJQNPNZAYRDMS-OESUUHGFSA-N", "SMILES:COc1cc(N2CCN(CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSXJWLLKHKRHRS-XJLLBULKSA-N", "SMILES:COc1cc(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGHFBVBNHYJNHK-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCNCC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYXKYJBZXHMPDD-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCCN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1492978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZIHTWJGPDVSGE-UHFFFAOYSA-N", "SMILES:NC1CCC(CC2CCC(N)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4587290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODSFRAJKARZHQP-UHFFFAOYSA-N", "SMILES:CN(C)CCc1ccc(CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCGISCAQCJRLA-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NCCCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHJANSWOSODZBT-UHFFFAOYSA-N", "SMILES:CN1CCC(CN)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQQXFMGYSOKDF-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRUSEDCZUTRDP-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccccc1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FURRUNQWZZOXOT-UHFFFAOYSA-N", "SMILES:NCc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJHFVTGSIAZFIQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC1CCCCC1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQFFOAUNDPGNS-UHFFFAOYSA-N", "SMILES:CN(C)C(CN)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXVWFOMYPHVUGO-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZQNQVAKBKTESA-UHFFFAOYSA-N", "SMILES:NCc1cc(N)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLVUMLIJOJJXAM-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Cl)cc2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZUUHBRCBCMNK-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCN)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZQPWVILDWRBN-UHFFFAOYSA-N", "SMILES:NCCNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQTYBJCISJYPPM-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(Cl)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXONFSGVQZHXDB-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccccc2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNOSOYOFHHRTED-UHFFFAOYSA-N", "SMILES:NCCN1CCC2CCCCC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNUKUWNSGVICSX-UHFFFAOYSA-N", "SMILES:NCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWPGRUTHAZDBK-UHFFFAOYSA-N", "SMILES:CCN(CC)C1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIORVIXEWIOGB-UHFFFAOYSA-N", "SMILES:NCCc1c[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWQDCCSMHQUNBC-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(CN)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSROTWURVBARHL-UHFFFAOYSA-N", "SMILES:NCCC12CCCN1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYWMEVIOOGVDMP-UHFFFAOYSA-N", "SMILES:NC(=O)CC1(N)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNNUJPAUAJTVJJ-UHFFFAOYSA-N", "SMILES:NC1CCC(CC2CCC(NC(=O)c3cc4[nH]ccc4cc3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKIXAIOFTJVPAF-UHFFFAOYSA-N", "SMILES:CN(C)CCc1ccc(CNC(=O)c2cc3[nH]ccc3cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWLHMADIVVYJKU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1NCCCn1ccnc1)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJQTRLMGZECRH-UHFFFAOYSA-N", "SMILES:CN1CCC(CNC(=O)c2cc3[nH]ccc3cc2Cl)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKQVEJFIDBWOO-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(NC(=O)c2cc3[nH]ccc3cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOANGQFZDFMTRN-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccccc1CNC(=O)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXDARUIOOBFALT-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2cc[nH]c2c1)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISFDZSVDRFDIKM-UHFFFAOYSA-N", "SMILES:CCN(CC)CC1CCCCC1NC(=O)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYAAPXXGGQQRNR-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)c1cc2[nH]ccc2cc1Cl)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSBCFJQDSIFNA-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCC(NC(=O)c2cc3[nH]ccc3cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTVSZVQUFIIWPR-UHFFFAOYSA-N", "SMILES:Nc1cc(CNC(=O)c2cc3[nH]ccc3cc2Cl)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBYGFMWLPDCBHF-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc3[nH]ccc3cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHDALUUHXBEFQ-UHFFFAOYSA-N", "SMILES:CC1CCN(CCCNC(=O)c2cc3[nH]ccc3cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QALKHAHZECHNGH-UHFFFAOYSA-N", "SMILES:O=C(NCCNC1CCCCC1)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWEDOMJYGSQEGS-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(Cl)cc1NC(=O)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRSDPMKZUIZQDF-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ccccc2NC(=O)c2cc3[nH]ccc3cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUWSZLUKCOUIGH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2[nH]ncc2c1)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCGYXRNTFDDIEV-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCC2CCCCC2C1)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPBFJRORPZIJIS-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCN(Cc2ccccc2)CC1)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVBIQWORSFFZAR-UHFFFAOYSA-N", "SMILES:CCN(CC)C1CCC(NC(=O)c2cc3[nH]ccc3cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMRVMUMIOVFTRI-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSUUNGNNJGLAFM-UHFFFAOYSA-N", "SMILES:CCCCN1CCC(CNC(=O)c2cc3[nH]ccc3cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFGBVGGZMBYBIH-UHFFFAOYSA-N", "SMILES:O=C(NCCC12CCCN1CCC2)c1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTFQGZXEDYHHI-UHFFFAOYSA-N", "SMILES:NC(=O)CC1(NC(=O)c2cc3[nH]ccc3cc2Cl)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPNJHVGVFWCRNG-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(Cl)cc1NC(=O)c1cc2cc[nH]c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMVVXSCNHLBJI-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(Cl)cc1NC(=O)c1cc2c(ccn2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVSKIJVYDAFDD-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(Cl)cc1NCc1cc2[nH]ccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBRFKGNOALKLFA-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(Cl)cc1Nc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGHYPWNFXAGJP-UHFFFAOYSA-N", "SMILES:O=C(c1cc(CC2=NNB(O)c3ccccc32)ccc1F)N1CCN(C(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAZKIXGTELHBSN-WUBHUQEYSA-N", "SMILES:CC(C)OC(=O)[C@@H](Cn1ccnc1)NC(=O)C1CCCN(C(=O)c2cccc(-c3ccccc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCSILABHNVKAFW-AREMUKBSSA-N", "SMILES:COC(=O)[C@@H](Cn1cncn1)NCc1cccc(OCc2cccc(-c3ccccc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHXNEUBDUJFMU-JUERFOTFSA-N", "SMILES:Cc1c(CN2CCCC(C(=O)N[C@H](Cn3cncn3)C(=O)OC(C)C)C2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWWZNLVUMPOSM-RUZDIDTESA-N", "SMILES:O=C(O)[C@@H](CO)NCc1cc(Cl)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJFCVSQKQFEKG-UHFFFAOYSA-N", "SMILES:CN(CCN(C)c1cnc(-c2cccc(Cl)c2Cl)c(N)n1)C(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHTYFBUSOTCSK-UHFFFAOYSA-N", "SMILES:N=C(N)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRYMEIYKUWXTF-UHFFFAOYSA-N", "SMILES:NC(=O)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWGFZZJNHCYAMQ-UHFFFAOYSA-N", "SMILES:NC(=S)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWFFLNGJZWTCC-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN(S(N)(=O)=O)CC2)cnc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVUNRBMIJYISK-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1ccccc1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZXSRIPURQKDGN-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1ccccn1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDOJNIBTZGJPGO-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1cccnc1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVEVUJIQFIDSSV-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1ccncc1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNNUUVZMTLKYJU-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1ncccn1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNDQQEUHJUBKDM-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1cnccn1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTATAAQOIWXBF-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1cncnc1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYIKHBAINSAIT-UHFFFAOYSA-N", "SMILES:N/C(=N\\C(=O)c1ccncc1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQAGOAIJOBWMHV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(/N=C(\\N)N2CCN(c3cnc(-c4cccc(Cl)c4Cl)c(N)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDNJTPBTFMGDN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(/N=C(\\N)N2CCN(c3cnc(-c4cccc(Cl)c4Cl)c(N)n3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDOXXPXTFXBBRQ-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1ccc(F)cc1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QILUOHHIIJJVFS-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1ccc(C(F)(F)F)cc1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVWDEBWSXVTAK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(/N=C(\\N)N2CCN(c3cnc(-c4cccc(Cl)c4Cl)c(N)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJRSHKPASBWFJM-UHFFFAOYSA-N", "SMILES:COc1ccc(/N=C(\\N)N2CCN(c3cnc(-c4cccc(Cl)c4Cl)c(N)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWOVIIWRWSYKF-UHFFFAOYSA-N", "SMILES:COc1cccc(/N=C(\\N)N2CCN(c3cnc(-c4cccc(Cl)c4Cl)c(N)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHSAOHAYFOMTQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1/N=C(\\N)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIJBZJSXSVRKO-UHFFFAOYSA-N", "SMILES:COc1cc(/N=C(\\N)N2CCN(c3cnc(-c4cccc(Cl)c4Cl)c(N)n3)CC2)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCOWMDTAFVVQE-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1ccsc1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMIDUAJPDZETP-UHFFFAOYSA-N", "SMILES:N/C(=N\\c1cccs1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMZPXMVZGBTLNV-UHFFFAOYSA-N", "SMILES:N#Cc1cc(/N=C(\\N)N2CCN(c3cnc(-c4cccc(Cl)c4Cl)c(N)n3)CC2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDXBHXLZDKVTL-UHFFFAOYSA-N", "SMILES:CN/C(=N\\c1ccc(C#N)cc1)N1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYMDUZZHLDAFQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(/N=C(\\N)N2CCN(c3cnc(-c4cccc(Cl)c4Cl)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPWLYBLTVJNFY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(/N=C(\\N)N2CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGXSZZAITMURED-MCUUEWDYSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3c(F)cccc3s1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDKLDALGJZVEKT-MCUUEWDYSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=S)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3c(F)cccc3s1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCDHIXFENHCOT-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(C3CCOCC3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQDKLKGERFYEDA-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cccnc3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNNBKFSSQVCWNF-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(C3CCC3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIDBCSEVYMOMO-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(C3CCCC3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDOYQZRFSYFRB-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(C3CCOC3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODDAKRFFRDNKG-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(C3CCCCC3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMJODOYTIOODU-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cccc(C#N)c3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHFUZROXZBBAF-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cccc(F)c3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUDXNURIXCYEX-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cccc(C(F)(F)F)c3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNRBLXJYTDXJLF-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cnccc3Cl)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZRKLIAHPWSPKZ-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3ncccc3Cl)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUYYHXJLOFCRR-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3ccncc3Cl)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFFXMFHMFBPBBS-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cccnc3Cl)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SILKIJRHEJVITB-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cnccc3C(F)(F)F)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGSKRISSWGOEGV-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cncc(C(F)(F)F)c3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDSPGBPRXCSKJ-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3ccc(C(F)(F)F)nc3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXDUBNVPKIYHOX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Cn3nc(C(C)C)n4c(cc5sc(Cl)cc54)c3=O)o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQCMTBFSQUSGX-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cnccn3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNYUXDHHCMJSIV-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3ccncn3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNDWYRLQOOXMRI-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3ccnc(Cl)n3)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYMCPIOYNKLBNY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc(Cn3nc(C(C)C)n4c(cc5sc(Cl)cc54)c3=O)o2)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPLGARUNBFTBCE-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3ccc(F)nc3F)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEDOMRBYDQWTLZ-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cc(F)cnc3Cl)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLLHFVEDJVKCW-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3cc(C(F)(F)F)cnc3Cl)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCNPILPPQLOKG-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(Cc2nnc(-c3ccc(C(F)(F)F)nc3Cl)o2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCNPILPPQLOKG-RJSZUWSASA-N", "SMILES:[2H]C([2H])(c1nnc(-c2ccc(C(F)(F)F)nc2Cl)o1)n1nc(C(C)C)n2c(cc3sc(Cl)cc32)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMYKJGDYUHXLMR-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)NC2CCOCC2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIYKXTYYNTYGCX-OPQQBVKSSA-N", "SMILES:C[C@H]1CCN1c1nc(N2C[C@@H](CC(=O)O)[C@H](O)C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGFRMUAQFFJZIA-RGURZIINSA-N", "SMILES:C[C@H]1CCN1c1nc(N2CC(CC(=O)O)C(F)(F)C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRSBUZLTZUYORO-ITNLDZRZSA-N", "SMILES:C[C@H]1CCN1c1nc(N2CCC3(CC3C(=O)O)C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPMQVMFSYBMAJ-OMTHAAKESA-N", "SMILES:C[C@H]1CCN1c1nc(N2CCC3(CC(C(=O)O)C3)C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJEABTGQSGVYHW-OPDFLTKYSA-N", "SMILES:C[C@H]1CCN1c1nc(N2C[C@H]3CC[C@H](C(=O)O)[C@H]3C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPVDXUZLLBRDR-OPDFLTKYSA-N", "SMILES:C[C@H]1CCN1c1nc(N2C[C@H]3CC[C@H](C(=O)O)[C@H]3C2)c2c(n1)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZTBTCUOQGBJRE-WDEREUQCSA-N", "SMILES:C[C@H]1CCN1c1nc(N2CC[C@H](CC(=O)O)C2)c2c(n1)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYUIFPRCKEHOE-RYUDHWBXSA-N", "SMILES:C[C@H]1CCN1c1nc(N2CC[C@H](CCC(=O)O)C2)c2c(n1)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUUYXOUOCAZIQS-QWRGUYRKSA-N", "SMILES:C[C@H]1CCN1c1nc(N2CC[C@H](OCC(=O)O)C2)c2c(n1)C(F)(F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDKMRKMCCKTSFL-STQMWFEESA-N", "SMILES:C[C@H]1CCN1c1nc(N2CC[C@H](CCC(=O)O)C2)c2c(n1)C(F)(F)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGFKVCGUJTOML-QWRGUYRKSA-N", "SMILES:C[C@H]1CCN1c1nc(N2CC[C@H](CCC(=O)O)C2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMWOEBOYIJBIJP-CMPLNLGQSA-N", "SMILES:O=C(O)CC[C@H]1CCN(c2nc(N3CC[C@@H]3C(F)(F)F)nc3c2CCC3(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUSPMKKPPHSQY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPDQLJLHAQECOP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDRAJWHANCQFDD-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cccc(OCc3ccccc3)c2)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABXYQZXEVULDHP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(OCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMSFUCYTBLPJE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1cc(F)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SICCADHGLCMJOD-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cc(F)ccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTAKIGRWFCBSPX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc(F)ccc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHIOQUGAMYCIRY-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cccc(Nc2cc(F)ccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECHCHSKSMWDGQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cccc(Nc3cc(F)ccc3C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTJDSLDUYIXEQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(Nc3cc(F)ccc3C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVZLJSYNKSEZKO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(-c2ccccc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVWRUOSIUGGGQZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(-c2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKQOXSHLQSUHJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMCKVMPWOWOHRM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccnc1Nc1cccc(-c2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKBSVSRRWZZBX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(-c2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVGDDXJMLWQJDS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(-c2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOUIQNZPGLDGW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(-c2cccc(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCPBTNLLCGDOP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1ccccc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGHKBYTUJZRTRE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(-c2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQVWIBMCYXYDT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXLRNQWNRRTIOS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSPWVBFKQINMLX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVSXJQZUCBFOM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(F)cc1Nc1cccc(COc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJHSIRUXHSRCX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc(F)ccc2C(=O)O)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2042450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETVGERWYQAJOQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVKDMDVLCBCOY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)O)c(Nc2cccc(OCc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPAUBABQNGCBRR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccnc1Nc1cccc(OCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUCHDGPGTYZETK-VZYDHVRKSA-N", "SMILES:Cl.N[C@@H]1c2ccccc2OC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVMSWNKXHCSARG-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(Sc4ccccc4Cl)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIHHBBIGJAYTQC-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(Sc4ccnc(N)c4Cl)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIEIROOAGIGGIS-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(Oc4ccnc(N)c4Cl)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLGDLTZCUDBGKB-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(Nc4ccnc(N)c4Cl)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEGBOULGTZYYTD-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(N4CCCc5ccccc54)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHAKQNZKGHAEOT-UHFFFAOYSA-N", "SMILES:CC1(CN)CCN(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANVMSZVVOUZGMH-IFXJQAMLSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6ncccc65)n[nH]c4n3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEGRZDNOFDNJD-QCKZDCLWSA-N", "SMILES:C[C@]1(CN)CC[C@@H](c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMXTQBSXNWBDF-HSZRJFAPSA-N", "SMILES:N[C@@H]1c2ccccc2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUGYWBSZWTMTM-OAQYLSRUSA-N", "SMILES:N[C@@H]1Cc2ccccc2C12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXUYIASMXTWMD-HSZRJFAPSA-N", "SMILES:CN1c2ccccc2[C@@H](N)C12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVICEZKRILHOS-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWJNVUEHQGPNU-HSZRJFAPSA-N", "SMILES:N[C@@H]1c2cccc(F)c2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCIFWGKPQAFPI-HSZRJFAPSA-N", "SMILES:N[C@@H]1c2ccc(F)cc2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLFGBVPUBXZBJM-HSZRJFAPSA-N", "SMILES:N[C@@H]1c2cc(F)ccc2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMLQJSBZURHEH-HSZRJFAPSA-N", "SMILES:N[C@@H]1c2c(F)cccc2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHUMWAIBMCCOOW-JOCHJYFZSA-N", "SMILES:N[C@@H]1c2cccnc2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIFDPWEOIFEPD-JOCHJYFZSA-N", "SMILES:N[C@@H]1c2cnccc2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRTUALWIQZOTGB-JOCHJYFZSA-N", "SMILES:N[C@@H]1c2ncccc2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMLUKACVWHUJH-XMMPIXPASA-N", "SMILES:N#Cc1cccc2c1CC1(CCN(c3cnc4c(N5CCCc6ncccc65)n[nH]c4n3)CC1)[C@@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLVWDQNYVLIFIM-XMMPIXPASA-N", "SMILES:N#Cc1ccc2c(c1)CC1(CCN(c3cnc4c(N5CCCc6ncccc65)n[nH]c4n3)CC1)[C@@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLNDVCKXMCNOMK-XMMPIXPASA-N", "SMILES:N#Cc1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc4c(N5CCCc6ncccc65)n[nH]c4n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMITYQZBIURPCT-ZVNQEMBASA-N", "SMILES:N[C@@H]1c2ccccc2C[C@]12CC[C@H](c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIIYCKLWWHXLGP-DRUBCJJOSA-N", "SMILES:N[C@@H]1c2ccccc2OC12CC1CCC(C2)N1c1cnc2c(N3CCCc4ncccc43)n[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKPKPFUMNTDIN-HHHXNRCGSA-N", "SMILES:Cn1cc(-c2ccc3c(n2)CCCN3c2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBRCMQINTZJFM-RUZDIDTESA-N", "SMILES:CS(=O)(=O)c1cccc2c1CCCN2c1n[nH]c2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNZCURKWHZFXDP-HSZRJFAPSA-N", "SMILES:Cn1ccc2c(c1=O)CCCN2c1n[nH]c2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQIBMFHYXNHRFM-AREMUKBSSA-N", "SMILES:CN1Cc2c(ccc3c2CCCN3c2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWHBYRMHYFFZPV-JOCHJYFZSA-N", "SMILES:Cc1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHYEPOOBYMPLG-JOCHJYFZSA-N", "SMILES:N[C@@H]1c2ccccc2OC12CCN(c1nc3[nH]nc(N4CCCc5ncccc54)c3nc1CO)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLNOQZIBJQWTSW-WAIKUNEKSA-N", "SMILES:C[C@@H](O)c1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLNOQZIBJQWTSW-QMHKHESXSA-N", "SMILES:C[C@H](O)c1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYOCDZKVBNLURV-OAQYLSRUSA-N", "SMILES:N[C@@H]1c2ccccc2OC12CCN(c1nc3[nH]nc(N4CCCc5ncccc54)c3nc1C(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHKWNDUDAMTPK-LJQANCHMSA-N", "SMILES:Cc1nc2c(N3CCCCC3)n[nH]c2nc1N1CCC2(CC1)Oc1ccc(F)cc1[C@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPKQZZGZZANYHL-WTJCRZRMSA-M", "SMILES:COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]2O)[C@H](O)[C@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUQNDDBOFSKOBR-YAIANMIZSA-N", "SMILES:COc1cc(CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUNYHMLELIVNJ-SIPRGAATSA-N", "SMILES:COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDZBMWZDCXQOAF-XPQVCEPBSA-M", "SMILES:COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]2O)[C@H](O)[C@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHROFICZDPCJC-RACIKBSSSA-M", "SMILES:COc1cc(/C=C/C(=O)[O-])ccc1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJYEXHYEODIAS-JNIBREBSSA-N", "SMILES:COc1cc(C(=O)OC(C)(C)C)ccc1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAMOUMXFLKIWJU-PRYYEBMPSA-M", "SMILES:COc1cc(C(=O)OC(C)(C)C)ccc1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]2O)[C@H](O)[C@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRSMNEPIVKHGEF-UEOLMNEISA-M", "SMILES:COc1cc(CCC(=O)[O-])ccc1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHNIYFZSHCGBPP-ABBMIVAOSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5426683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVLGGYRASUDQSJ-YZIZBFEWSA-N", "SMILES:C#CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAYJZWFYUSNIPN-MUKCROHVSA-N", "SMILES:O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQDOKYFNANJHCU-QBXBQJKFSA-M", "SMILES:O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]3O)[C@H](O)[C@H]2O)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBBKNKNNGFIXFF-FKUDBFNPSA-N", "SMILES:C#CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNNKRYJIDEOHX-KDKNCOTBSA-N", "SMILES:CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYCWRUVLBXBDBY-OXKNCGHSSA-N", "SMILES:C#CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPQROUUGHHOKSF-PRRFVUNNSA-M", "SMILES:C#CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCC(=O)[O-])[C@H]2O)[C@H](O)[C@H]1NC(C)=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDODHVFRDUBDAF-YZUXSQMISA-M", "SMILES:CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]2O)[C@@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWRUUXFOTYUWLI-MUYHLHEGSA-M", "SMILES:C#CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGUZRQMKOHATE-UEQBBOTGSA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)CCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)NCCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCN)C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZPRCPILSEHRI-CSCIKBAESA-N", "SMILES:N=C(N)NCCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)NCCCCC(NC(=O)CCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](CCN)C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWVDCEAYEQNKPT-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2cnc(NCc3ccccc3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVEPSARMPXXYBP-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nnc(-c2cnc(NCc3ccccc3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOOUGNLMUIACR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ncc(-c3nnc(C(F)F)o3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGMKXVGXYGSIEH-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2cncnc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSKGMUFMAIPPOY-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(-c2nnc(C(F)F)o2)cc1)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEUCLXVNPPGXGS-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(-c2nnc(C(F)F)o2)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOMXAZIBFGXYTI-UHFFFAOYSA-N", "SMILES:FCc1nnc(-c2cnc(NCc3ccccc3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XURWVKISYBUGHB-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVJNNHQCQDIYJJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLGGPJIWXLFENQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(NC(=O)OC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXWILHPCXGMGNW-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMLMJIQSBYOSJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDPSGPAEIGLED-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFPMCAWPXYUJO-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRODWULIUXOFMJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBANGMRUPOGIHO-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRUKPVDGMOHGNW-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)OCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVDAUNLITXUAG-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)OC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFKAJCYFYZXTIP-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)Cc1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIHUSMNEYUBII-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLONMNKKVKTOHQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDHYPXNDZNEIB-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPEFGJHJCNWONC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CCCCNC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQEMAEUGQCAUOK-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHWTGVDCZOXNQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECLEVMUONUNCB-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJZUIOPLDWHRW-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTAWPVRCMQYJZ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CCCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKCGUUQZUQYVSM-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CCCCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGYVWXVKMBNNX-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHNOUFPVVFGSC-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1CCCC1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZAOMPTMZSWIQ-AWEZNQCLSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1CC[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXXCICIAECHPQU-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBQUCOSQPIYNQ-HUUCEWRRSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1CC[C@@H]2C[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAQZBUDOECZPKY-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1NCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHXGEUBWASTMBA-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1C2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNVNCPXVLMBXTM-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1CC2CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPWPVNBGHINQM-CYBMUJFWSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1CC[C@@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVUURKJRBWUCB-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1089782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXVYPMBHALRMDU-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)C(F)(F)F)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFWWIMDNOGGLM-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)C(F)(F)F)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEZLARPKXOHKJS-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)C(F)(F)F)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1875205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOMJZUPHLPTMFP-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)c1cccnc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1443628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALJURYJXCXVZFN-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)c1ccncc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLOOECTYBSOON-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)c1cccc(N2CCOCC2)c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWEDKEPGOROEEE-UHFFFAOYSA-N", "SMILES:O=C(CC(=O)c1cccc(N2CCOCC2)c1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLTKMDQRTMSKQQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(C(=O)CC(=O)c3ccncc3)c2)CC1"]}
{"name": "Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1", "xref": ["CHEMBL.TARGET:CHEMBL5465300"], "id": "UniProtKB:Q02809", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Multifunctional procollagen lysine hydroxylase and glycosyltransferase LH3", "xref": ["CHEMBL.TARGET:CHEMBL5465277"], "id": "UniProtKB:O60568", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVXJEMBJYKPFQ-HXUWFJFHSA-N", "SMILES:Cc1ccc(-c2ncc3c(ccn3C[C@@H]3CCNC3)c2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VERKWSTWPLWQBK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTASADBHSUCOLV-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGDSZYHDVXNFO-UHFFFAOYSA-N", "SMILES:C=C(C)c1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACVMYQCMOUTOK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAMPMBNGQBJZQV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2c(-c3ccc(N)cc3)ncc3c2ccn3CC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXOPHYHWORTAV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMRMNZRKVYGKPF-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVEPMFDOKZCOAO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPMRFKAPIAZLT-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCRSJKWXUOMPDC-UHFFFAOYSA-N", "SMILES:COC(C)(C)c1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQPFLZAFGHMQP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPIUPCZKURHMJH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSIWUODOHJGCRM-UHFFFAOYSA-N", "SMILES:CN1CCOc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNLKHGLCRKCOIS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2c(-c3ccc4c(c3)OCO4)ncc3c2ccn3CC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSZGUICGAINIY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2c(-c3ccc4[nH]ncc4c3)ncc3c2ccn3CC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHDSMJRURKPSK-UHFFFAOYSA-N", "SMILES:Cn1cnc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSREXOFZZWDAN-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBWTTGMXYFEDV-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYNARRTFSPDAY-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)cc3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEQDWAPASOEAO-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)c(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIGAEJLDFJCIE-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)cc3F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFQDSIVYOJTOA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(-c3ccc4c(cnn4C)c3)ncc3c2ccn3CC2CCNCC2)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIUWPJWRKRNSIV-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ccc1-c1c(-c2ccc3c(cnn3C)c2)ncc2c1ccn2CC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXWPVOBLCZXSSV-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C(N)=O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIDVRNOCXCNWRQ-UHFFFAOYSA-N", "SMILES:CN1CCOc2cc(-c3ncc4c(ccn4CC4CCNCC4)c3-c3ccc(C#N)c(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWVRXBJYMPWZAF-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3ncc4[nH]ccc4c3-c3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKIXHUSNKNXMC-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3ncc4c(ccn4CCCN)c3-c3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMRORBCILSOJLG-UHFFFAOYSA-N", "SMILES:CNCCCn1ccc2c(-c3ccc(C#N)cc3)c(-c3ccc4c(cnn4C)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZEIPAHADBWABM-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3ncc4c(ccn4CCCCN)c3-c3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYCOUUZOBHDNJN-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3ncc4c(ccn4CC4(C)CCNCC4)c3-c3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMFISDWJCCPQTB-UHFFFAOYSA-N", "SMILES:CCC1(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc5c(cnn5C)c4)ncc32)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEAICZQJRUOLCE-QGZVFWFLSA-N", "SMILES:Cn1ncc2cc(-c3ncc4c(ccn4C[C@@H]4CCNC4)c3-c3ccc(C#N)c(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RACDMNDNBPPCLD-UHFFFAOYSA-N", "SMILES:CNC1CCC(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(-c4ccc5c(cnn5C)c4)ncc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFIZMWHCYFWQEI-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3ncc4c(ccn4CC4(C)CCNCC4)c3-c3ccc(C#N)c(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFASOUSJBANSHU-GOSISDBHSA-N", "SMILES:Cn1ncc2cc(-c3ncc4c(ccn4C[C@@H]4CCCNC4)c3-c3ccc(C#N)c(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASBFRAVFDFDXFG-UHFFFAOYSA-N", "SMILES:CN1CCOc2cc(-c3ncc4c(ccn4CC4(C)CCNCC4)c3-c3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJJHHKVHEWDUME-UHFFFAOYSA-N", "SMILES:CN1CCOc2cc(-c3ncc4c(ccn4CC4(C)CCNCC4)c3-c3ccc(C#N)c(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMDORUXYFGJLH-SCUONRCFSA-N", "SMILES:CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NC[C@H]6CC[C@](C)(O)CO6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJLDGWQAOWCNL-CLIDBQJJSA-N", "SMILES:CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NC[C@H]6COCCO6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMQKWVVOKEHOI-KSLCNRSUSA-N", "SMILES:CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NC[C@H]6CC[C@H](O)CO6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGQQZVAXXLVMT-BDPCEMNPSA-N", "SMILES:CO[C@H]1CC[C@H](CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSBFCZHCUBFEH-TZGPWIOESA-N", "SMILES:CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6(O)CCOCC6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQPNAOMOLUWAEE-JNERXHHJSA-N", "SMILES:COC1(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYDHAOVOPVDTSV-VOQIQHNXSA-N", "SMILES:CO[C@H]1C[C@H](Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTSOHPEJKZMRQ-RNIAUBGXSA-N", "SMILES:CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NC[C@H]6CC[C@@](C)(O)CC6)c([N+](=O)[O-])c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZCAKIZMHKRLU-OPOGQNKXSA-N", "SMILES:CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NC[C@H]6CC[C@](C)(O)CC6)c(Cl)c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBKXEYWYQZYHNE-RMMGWCNMSA-N", "SMILES:COCC1(F)CC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN5CC6=C(c7ccc(Cl)cc7)CC(C)(C)C[C@H]6OCCCOC[C@@H]5C4)cc3N3CCCOc4nc5[nH]ccc5cc43)cc2[N+](=O)[O-])C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIYLCQVENWAWHE-YJBJDYJBSA-N", "SMILES:CC1(C)CC(c2ccc(Cl)cc2)=C2CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5cnc(OCC6(F)CCOCC6)c(Cl)c5)c(N5CCCOc6nc7[nH]ccc7cc65)c4)C[C@H]3COCCCO[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVVTRXMBZDJIL-UHFFFAOYSA-N", "SMILES:NCC1CCN(c2cccc(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLJUHXPRUKMKO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccc(N3CCNCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL130880", "category": ["biolink:ChemicalEntity"], "name": "IPIDACRINE", "xref": ["InChIKey:YLUSMKAJIQOXPV-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3c1CCC3)CCCC2"], "synonym": ["Ipidacrine", "Ipidacrine", "Ipidacrina"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5403491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCCCODTWJGHJO-UHFFFAOYSA-N", "SMILES:Cc1cccc(CSC2=NCCN2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPPQFXYIZTQCV-UHFFFAOYSA-N", "SMILES:Clc1ccc(N2CCNCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1444734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDBBNAUNRHBLR-UHFFFAOYSA-N", "SMILES:O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPKIUZZZFIZELT-UHFFFAOYSA-N", "SMILES:c1ccc(N2CC3CNCC3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRSZQACQJBWSQK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ccc(C)cc3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNPFXXHTXAAGL-UHFFFAOYSA-N", "SMILES:NCC1CC(=O)N(c2ccc(F)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWFDBVICXATKK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(sc(N)c2C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4982613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLHBWHJEWQQFDV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccc(N3CCNCC3)nn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLQKXPALRVZPE-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2ccc(N3CCNCC3)nn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWFHBYSJCZMJFH-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2ccc(N3CCNCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZVFSRODUXQSSX-UHFFFAOYSA-N", "SMILES:Nc1ccnc2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQNRSZJLDYZADP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCN(c2ccc(Nc3ccc(C)cc3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCDWZOSVQXZKLZ-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3c1CCC3)CCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5429432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKIUSBYBZJJBGN-UHFFFAOYSA-N", "SMILES:COC1CN(c2nc3ccccc3s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5016665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYNANULBSTYJO-UHFFFAOYSA-N", "SMILES:Cn1nc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKQKFWABRTUYEM-UHFFFAOYSA-N", "SMILES:O=c1[nH]cccc1-c1cn(-c2cc(Cl)cc(OCCC(F)(F)F)c2)c(=O)n(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTECXIPKVMFWEV-UHFFFAOYSA-N", "SMILES:O=c1[nH]cccc1-c1cn(-c2cc(Cl)cc(OCC3CC3)c2)c(=O)n(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLFQAQWTSXYYBV-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2cn(-c3cc(Cl)cc(Cl)c3)c(=O)n(-c3cccnc3)c2=O)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWAOOVAMKAOKJN-UHFFFAOYSA-N", "SMILES:O=c1[nH]cccc1-c1cn(-c2cc(Cl)cc(Cl)c2)c(=O)n(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4861071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJKUSPNZALBLD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(-c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4867191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYZCSUBKCAJAK-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(-c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXWXGQOMNHTOZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1cc(-c2cccc(Cl)c2)c(=O)n(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALRCSEFEKBSBIS-UHFFFAOYSA-N", "SMILES:O=c1[nH]cccc1-c1cn(-c2cc(Cl)cc(OCc3scnc3C(F)(F)F)c2)c(=O)n(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZHOPRNISXVJHI-UHFFFAOYSA-N", "SMILES:O=c1[nH]cccc1-c1cn(-c2cc(Cl)cc(OCc3nc4ccccc4n3C(F)F)c2)c(=O)n(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRCFXBHLSLTBFR-UHFFFAOYSA-N", "SMILES:Cc1scnc1COc1cc(Cl)cc(-n2cc(-c3ccc[nH]c3=O)c(=O)n(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMTPISQRQXCMMZ-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(COc2cc(Cl)cc(-n3cc(-c4ccc[nH]c4=O)c(=O)n(-c4cccnc4)c3=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOYOVFWQBHENZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]cccc1-c1cn(-c2cc(Cl)cc(OCc3nccn3C(F)F)c2)c(=O)n(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORNUELPFJFKHHE-UHFFFAOYSA-N", "SMILES:Cn1c([N+](=O)[O-])cnc1COc1cc(Cl)cc(-n2cc(-c3ccc[nH]c3=O)c(=O)n(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIMGROBCXMNMC-UHFFFAOYSA-N", "SMILES:O=c1[nH]cccc1-c1cn(-c2cc(Cl)cc(OCc3ccccc3Cl)c2)c(=O)n(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIKCOGWNDAHSK-UHFFFAOYSA-N", "SMILES:Cn1cc(COc2cc(Cl)cc(-n3cc(-c4ccc[nH]c4=O)c(=O)n(-c4cccnc4)c3=O)c2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWSZAUESGLDTH-UHFFFAOYSA-N", "SMILES:O=c1[nH]cccc1-c1cn(-c2cc(Cl)cc(OCc3ncsc3C(F)(F)F)c2)c(=O)n(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZIJROVMJQZNGP-UHFFFAOYSA-N", "SMILES:Cc1scnc1COc1cc(Cl)cc(-n2cc(-c3ccc(=O)[nH]c3)c(=O)n(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGWBLQMOKYLFS-RUZDIDTESA-N", "SMILES:Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHBBGNUOZGONQB-XMMPIXPASA-N", "SMILES:Cc1ccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHSTSPBTMNKLI-HSZRJFAPSA-N", "SMILES:Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLILQPOOHTROO-HSZRJFAPSA-N", "SMILES:Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXYIIUMBLYKJPV-RUZDIDTESA-N", "SMILES:Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c2ccnn2c1-c1ccc(F)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPAIQYUKPJORDA-HSZRJFAPSA-N", "SMILES:Cc1nc(N2CCC3(CC2)Cc2nc(O)ccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVPLDJFKLZZOC-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(Cn2ccnc2)OCc2ccc(Cl)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMAYJJFPGZVRPS-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(OCC(Cn2ccnc2)OC(=O)c2ccc(Cl)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGSQFRYOUVBPDU-UHFFFAOYSA-N", "SMILES:C#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(S(=O)(=O)CC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIZIMXAABJORR-NRFANRHFSA-N", "SMILES:CC[C@H](C)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccc(-c3ccc(N4CCNCC4)nc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRXJRWKGRZFLNB-UHFFFAOYSA-N", "SMILES:CCN(c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cc(CN3CCCCC3)oc2c1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGPMXZRBPPKML-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCNC(=O)C56CC7CC(CC(C7)C5)C6)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYPVQCPYKNSTG-UHFFFAOYSA-N", "SMILES:N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5441018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZLUOMYOZNNBI-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ncc(C(N)=O)c(NC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVIYLTQUILLFKZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZEVFZFBHZYROH-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccc(N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLOHVMJKCXYOS-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccc(NC(N)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLHTQLLPXVPRG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2nc(NCC(C)(C)C)ncc2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYJETUXJCNFRH-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccc(O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAECSSFXDKQDSO-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc(Nc2nc(NCC(C)(C)C)ncc2C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRMTBRDYBLEFO-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(NCC(C)(C)C)ncc2C(N)=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPYKJTQBRNBHLC-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccc(NC(N)=O)c(NC(N)=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKOLOUSHBEOCW-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ncc(F)c(Nc2ccccc2C(N)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJILYKCOXRTFTF-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSEASLMARZYTKL-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ncc(Br)c(Nc2ccccc2C(N)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTISUAXTISGKAH-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNc1ncc(C(N)=O)c(Nc2ccc(N)c(N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLIGCTQLUKRHLK-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)ccc1NC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXVTJVIFNEVGD-UHFFFAOYSA-N", "SMILES:Nc1cc(C(F)(F)F)ccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291426", "category": ["biolink:ChemicalEntity"], "name": "HINOKIFLAVONE", "xref": ["InChIKey:WTDHMFBJQJSTMH-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Oc3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)cc2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL471282", "category": ["biolink:ChemicalEntity"], "name": "AVICULARIN", "xref": ["InChIKey:BDCDNTVZSILEOY-UXYNSRGZSA-N", "SMILES:O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL402947", "category": ["biolink:ChemicalEntity"], "name": "SPIRAEOSIDE", "xref": ["InChIKey:OIUBYZLTFSLSBY-HMGRVEAOSA-N", "SMILES:O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5409793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOWWKNUFWIKCQG-VMPITWQZSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(C3CCN(C(=O)/C=C/CN(C)C)CC3)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPZAKDGUSCKMIF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(c2cccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5ccc6cnccc6c5)ccc4C)cn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGUPBQZDCJPXTD-UHFFFAOYSA-N", "SMILES:C=CC(=O)c1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKFBEHFIOOIKM-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYKVWUNAVYUTON-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCC(=O)c1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(-c5ccc(F)cc5)c4)ccc3C)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNZHPRKRZLIXLA-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(C(=O)Nc3ccc(C)c(C(=O)Nc4cnc(Nc5cccc(N)c5)nc4)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJRUWHJBSOWPN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOUYPOJLPRXSV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJMWFWCUEXVVSF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNRTYJUAIYHTF-GZPFUUSSSA-N", "SMILES:Cc1ccc(NC(=O)CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWQFVNFRPNLID-DRGWLBTESA-N", "SMILES:Cc1ccc(NC(=O)C[C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEFJVPMEPTGPH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4473269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGCXMCBXSOYDBH-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSLRBFZPUXZPP-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(CO)CC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNCHGVSLNCGBJZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(C(=O)Nc3cc4c(cc3N3CCC(CO)CC3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUZGSNUTITFLS-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCC(CO)CC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCVUEWREOHQQP-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccncc4)n3)c(N3CCC(CO)CC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWGUPVNVRCMGN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(-c2nc(C(=O)Nc3cc4c(cc3N3CCC(CO)CC3)OC(C)(C)C4)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMEGKSJORIDOTB-QGZVFWFLSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(N4CC[C@@H](N)C4)n3)c(N3CCC(CO)CC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXELIPGDBYHORJ-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCC(CN)CC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSXUOWNAKWCDZ-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCC(C(N)=O)CC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFZEMDOPASCOK-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCC(C(C)(C)O)CC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWEKWERPAFUBOL-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCN(CCO)CC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJAMFTYVKUPVBI-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCN(CC(N)=O)CC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLFNJXHENUOJE-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCC(O)CC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYAZQWKAQSJSD-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCOCC3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNMPFLPIPYWIEW-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(-c3ccoc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJDQROXNKZEOX-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC(C)(C)O3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQJFRFCYXBTTLF-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC(C)(C)O3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSEOUNAFFQGFGW-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC(C)(C)O3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCQSPXGNBMFMG-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(-c3cncnc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYPMKJAXRLAWNT-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC(C)(C)O3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JINGDSFKIVDYLF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC(C)(C)O3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBRBFRIWYAZSF-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(-c3ccc(C(F)(F)F)nc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFCYBWLDLCUHU-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(-c3ccc(C#N)nc3)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNSLQXJERLQBJZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC(C)(C)O3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBYUQRGWJVEOHT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC(C)(C)O3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYAGCUGBXPDMV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC(C)(C)O3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFYDGYDTYLPINY-YGCRUXFTSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(/C=C/C(N)=O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUBIWYHXIZSQOQ-UHWCXKEXSA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(/C=C/C(C)=O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGGLESNNYLSYEA-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ccncn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VITKOHQVTODHMA-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3cc(C4CCCC4)ncn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKFODHAJATVIPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]cc1Nc1cc(C2CCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNUUBBFAONHSM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1)c1n[nH]cc1Nc1cc(C2CCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJJSHKQVUUHCY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(C2CCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEAAQBDCEFFTFY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(C2CC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEHJVGLWSVJRSG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(C2=CCOCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXCUSLQWBOSPKR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(C2CCCCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRUUTFHVZHQJF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(-c2ccccc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGOURYYOQTOHM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(-c2ccoc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXJHRAJQRBFYSF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(OC2CCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSLGXRYUFUDQJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(NC2CCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYVNYDOQDAUPT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(OCC2CCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISSQSUDTOGXTJQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(OC2CCCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVCQKZMWICEDU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(OC2CCCCCC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZBDSJQRIEBFQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(Oc2ccccc2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBKWXHOIXCGTM-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(N3CCNCC3)cc2)cc(Oc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKAERLTMFUEGS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3ccccc3C(F)(F)F)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLTWEHDLKNPVFJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(-c3ccccc3)nc(-c3ccccc3C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCWXAYNZHXLFM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Cc3c(Cl)cccc3C(F)(F)F)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZUJRYRVSDEOMN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBOWTVTAZBQEQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(C3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQIPELJBGDVXGP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(N3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQPJNOIJPVBZAP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(C3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POBPESVMLCLASZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(C3CCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLRFSUMZNLDDBP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc(Nc2ccc(C(=O)O)cc2)nc(Oc2c(Cl)cccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIJKEENEIVXXCO-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccc(C(=O)O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POMUMCBVHZGURY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHUGNZBEMKNNB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZUWVBQAVLOGDG-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZFQBOHECUQVFQ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTKBEDGJSYNYSX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(C4CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLYKYDYPFQHPEM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJKVNRDXZGVGNS-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFLJGWNTPGTSJZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOZNGFIZCMPHFX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(Cl)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZUWHZGWJBDLG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCBVFNHHHJINGT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3cccc(C(=O)O)c3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWJKSWBVBFYKAJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3OC)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYJPMIFWSCXQC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(=O)O)c(OC)c3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOSXMCHFYVJLX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(=O)O)c(O)c3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIRAXUOLPCZDIC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(=O)O)c(F)c3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEORMWGFDPRTHB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(=O)O)c(Cl)c3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYZKBZAQQXWWOX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(=O)O)c(C(=O)O)c3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIQCARTIYVZIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(=O)O)nc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYJHYROVIWPOC-GASCZTMLSA-N", "SMILES:COc1ccc(-c2nc(N[C@H]3CC[C@@H](C(=O)O)CC3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYJHYROVIWPOC-SHTZXODSSA-N", "SMILES:COc1ccc(-c2nc(N[C@H]3CC[C@H](C(=O)O)CC3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJAVBAVMXCVZJG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(NC3CCC(C(=O)O)C3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFFNVOKXWIBGRZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCJQHCSQTDUEGM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(CC(=O)O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKZULCLIVIAPAB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(C)C(=O)O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYAVGPZVDLMKFT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(N)=O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZNJBSCIYEMIV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFVDIZYCUHAJW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(=O)NC(C)C)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWGPHGQFEKHZLA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(CC(N)=O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKIKVMCFMWIVIW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(NC(C)=O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKCUSSEBJZUEU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIGRPTIMZMHXKX-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBJSXKHIOCRVEH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(NS(C)(=O)=O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTVCUENOAJYTSE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(S(C)(=O)=O)cc3)nc(Oc3c(Cl)cccc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVBTUHHHMDUNP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWLVYOLBJNQRN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(NC(C)=O)cc3)nc(Oc3c(Cl)cccc3C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJRDQMCJKNIXBR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2nc(Oc3c(Cl)cccc3C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXDJIDVENUCPW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJROFRXYJKLDM-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2nc(Oc3c(Cl)cccc3C(F)(F)F)nc(-c3ccc(OC)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBJEMGFFPBNJV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Nc2nc(Oc3c(Cl)cccc3C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGNCATNWBIODJJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUHTSUKXXGMAZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(S(C)(=O)=O)cc3)nc(Oc3c(Cl)cccc3C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUSFYUFKBIHJCE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Nc2nc(Oc3c(Cl)cccc3C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DALDBNLISCFZNL-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2nc(Oc3c(Cl)cccc3Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFURDDZWFHOSNG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(N)=O)cc3)nc(Oc3c(Cl)cccc3C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXWBDQQZISLIOI-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Nc2nc(Oc3c(Cl)cccc3C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNWCQWUZFFCCOX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)nc(Oc3c(Cl)cccc3C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDTLGWAVJZTVSZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(Oc3c(Cl)cccc3C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJTCFEBEKUDUBE-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cccc(NC(=O)c2cc(C(C)C)c(O)cc2O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDRNVTUZFWNJK-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cccc(N(CC)C(=O)c2cc(C(C)C)c(O)cc2O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVTXXOOTKNXRHK-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cccc(N(CCC)C(=O)c2cc(C(C)C)c(O)cc2O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFQHLYCUHCTDJ-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1ccc(NC(=O)c2cc(C(C)C)c(O)cc2O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHKZNXCXUMFEOS-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1ccc(N(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGMCCVYCFXAQTN-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1ccc(N(CC)C(=O)c2cc(C(C)C)c(O)cc2O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPZACMXJQHILC-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1ccc(N(CCC)C(=O)c2cc(C(C)C)c(O)cc2O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSKYSLAQCEKMD-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(NC(=O)c2cc(C(C)C)c(O)cc2O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVCLEHHTUKHSTR-UHFFFAOYSA-N", "SMILES:C#CCN(C)CCCOc1cc(N(CCC)C(=O)c2cc(C(C)C)c(O)cc2O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKXOIHNFHOEPHN-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2c3c1-c1ccccc1CC3N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4069337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDNEUOVIJYCGZ-UHFFFAOYSA-N", "SMILES:COc1c(O)cc2c3c1-c1ccccc1CC3NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL601020", "category": ["biolink:ChemicalEntity"], "name": "STEPHANINE", "xref": ["InChIKey:UEAPAHNNFSZHMW-CQSZACIVSA-N", "SMILES:COc1cccc2c1C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL483825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCTYWRARKVGOBK-CQSZACIVSA-N", "SMILES:CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5417155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWYVWBDRDSMXBT-CYBMUJFWSA-N", "SMILES:COc1ccc(OC)c2c1C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5409644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUECBJOPWMRHEX-CQSZACIVSA-N", "SMILES:COc1cc2c3c(c1OC)-c1cc(O)ccc1C[C@H]3NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL464748", "category": ["biolink:ChemicalEntity"], "name": "DICENTRINE", "xref": ["InChIKey:YJWBWQWUHVXPNC-AWEZNQCLSA-N", "SMILES:COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1989287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDQDNQWGQFIAO-CQSZACIVSA-N", "SMILES:COc1ccc2c(c1OC)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1171263", "category": ["biolink:ChemicalEntity"], "name": "DEHYDROROEMERINE", "xref": ["InChIKey:YUWBTKIVDAWQHK-UHFFFAOYSA-N", "SMILES:CN1CCc2cc3c(c4c2c1cc1ccccc14)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL456942", "category": ["biolink:ChemicalEntity"], "name": "DEHYDRODICENTRINE", "xref": ["InChIKey:HIZKFQOZVOUKDP-UHFFFAOYSA-N", "SMILES:COc1cc2cc3c4c(cc5c(c4c2cc1OC)OCO5)CCN3C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5433445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKWRKGCEATEEI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)cc1c3c(cc4c(c32)OCO4)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5440844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQXYOCWRQTXKCI-UHFFFAOYSA-N", "SMILES:COc1cccc2c1cc1c3c(cc4c(c32)OCO4)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1617041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMGTUCOAQKLLO-DLBZAZTESA-N", "SMILES:CN1CCc2cc3c(c4c2[C@H]1[C@H](O)c1ccccc1-4)OCO3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5430132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYWVELCSGZINQW-ZWKOTPCHSA-N", "SMILES:COc1cccc2c1[C@@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5398483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNAFDLOXRYAAQ-ZWKOTPCHSA-N", "SMILES:COc1ccc2c(c1OC)[C@@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL510954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFOBPWUVXXUIF-OAHLLOKOSA-N", "SMILES:COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5414111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFEXDKYJEYMIMF-CQSZACIVSA-N", "SMILES:COc1c2c3c(c4c1OCO4)-c1ccccc1C[C@H]3N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5437306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKFFNXOLCSPAI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(cc3c4c(cc5c(c42)OCO5)CCN3C)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5432040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNNMKRWZDUAHL-UHFFFAOYSA-N", "SMILES:Oc1cc2c3c(c1Cl)-c1ccccc1CC3NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNNMKRWZDUAHL-GFCCVEGCSA-N", "SMILES:Oc1cc2c3c(c1Cl)-c1ccccc1C[C@H]3NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNNMKRWZDUAHL-LBPRGKRZSA-N", "SMILES:Oc1cc2c3c(c1Cl)-c1ccccc1C[C@@H]3NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYONGVUMQJAWOL-OAHLLOKOSA-N", "SMILES:CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL417473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIYKUTOPDMMXAX-BEFAXECRSA-N", "SMILES:CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@]3(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVYKKVMHDGSECW-OAQYLSRUSA-N", "SMILES:CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2ccccc2)c1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSCYJFJDDPPKK-HXUWFJFHSA-N", "SMILES:COc1cccc(OC)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLRVRLYWHNAEC-AWEZNQCLSA-N", "SMILES:COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5410665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZEHNMOBNRQUTM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCn2cc(CNC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nn2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRABNNPWLSQOKT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXQDHULPUFSIDS-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(-c2ocnc2C(=O)NCCCNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSKCBNHQFCIHV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCCNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPWKJVXCZOBMS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCCNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNCVWFKBGBCJSQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCc2ccc(NC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMHBKWGYQUWPN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCn2cc(CNC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHVQLTXPHMNQFG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCn2cc(CNC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nn2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYXFQLNUJULDRL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRJBELTUBNQLW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLUWQFTZJNMCJ-FMIVXFBMSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCn2cc(CNC(=O)/C=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPHBOUMLYQLJG-FMIVXFBMSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCn2cc(CNC(=O)/C=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nn2)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDPAMBWRBFJAV-FMIVXFBMSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCNC(=O)/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYCKVPPIJXNXPA-SFQUDFHCSA-N", "SMILES:COc1ccc(-c2ocnc2C(=O)NCCCc2ccc(NC(=O)/C=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDMAYXMCZTGNZ-NTCAYCPXSA-N", "SMILES:COc1c(F)cc(-c2ocnc2C(=O)NCCCc2ccc(NC(=O)/C=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNOMITWCSRHRKL-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWUHPICZVGESMH-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGLSPBMOSOBBBC-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)N(c3c(C)cccc3Cl)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXRGGDPDTUZAGB-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQJYGOXWQDDPJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLQCAGWUWSASNH-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMJRDMKNZHHKRO-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLARYFBXRHWBMQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPFWVUDNMWPZRP-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDXEZPVFAICPJ-UHFFFAOYSA-N", "SMILES:CNc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPLOCTNSFAEAHA-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(NC3CCC3)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPOADZAEHNBBLC-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C(=O)Nc2c(C)cccc2C)c(NC2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNLVZVLPNFHOG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNTLJKCQRXRNAW-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(NC3CC3)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZADMZLILBEJKC-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILCBTJGUHNDKOK-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)c(Cl)c2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEFILERROYALKU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(NC4CCC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIORQSPZPNHSIY-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFADATYKBLNIII-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWVIOISFDYTGP-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZRXPVJZGSQLK-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCNCC3)cc2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVLLJJWVONZZDD-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSOEOWFCRZFMO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(F)cccc4F)c(NC4CCC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZYLLPFQZZXFMX-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFFPEVMNYBCFEI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(C(=O)Nc4ccccc4F)c(NC4CCC4)n3)cc2)CC1"]}
{"name": "Serine/threonine-protein kinase SIK2", "xref": ["CHEMBL.TARGET:CHEMBL5465265"], "id": "UniProtKB:Q8CFH6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPDQRCUBFSRAFI-DOMZBBRYSA-N", "SMILES:C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARAUFAUVKBTEM-DGCLKSJQSA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2CCCC[C@@H]2C(F)(F)F)[nH]c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2018216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMLCPCWNLTDRL-UHFFFAOYSA-N", "SMILES:O=c1cc(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)c(C3CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1851668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAEMFFVPJFULIV-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(-c3cccnc3)cc2C1=Cc1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYISDLXHLPEOTC-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(-c2ccnc3[nH]ccc23)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBCODFVSNRSGO-RIFQWCRFSA-N", "SMILES:O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\\C=C\\c1ccccc1)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4447963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVQOWKBUVDTOG-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFUSGLDYQSDIEU-NQIIRXRSSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUYXNOSTUQQLBT-GYEGXUAJSA-N", "SMILES:Cc1cc([C@@H](C(=O)N2C[C@@H](O)C[C@@H]2C(=O)N[C@H](C)c2ccc(-c3scnc3C#CCOCCOCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2)C(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSFOTWLIOCUFBI-ZHACJKMWSA-N", "SMILES:CC(=O)Oc1ccccc1/C=C/c1nccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYIUTBXQFUHWHF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(NC(=O)COCCOCCNC(=O)CCCCC[N+]5=C(/C=C/C=C/C=C6\\N(C)c7ccccc7C6(C)C)C(C)(C)c6ccccc65)cc4)cc23)c1F.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNAIQYJTPQJKI-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(N)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYFRTFMUUESOQ-UHFFFAOYSA-N", "SMILES:N=c1c2c(Nc3n[nH]c(=S)s3)csc2[nH]c(=S)n1-c1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUZKNHMNMHRTPV-UHFFFAOYSA-N", "SMILES:CCOC(=O)CNc1ncnc2sc3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSBFRMFWWRQAEA-UHFFFAOYSA-N", "SMILES:NNC(=O)CNc1ncnc2sc3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQJQFADPPEZJX-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2sc3c(c12)CCCC3)NN=Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAQPOFQUOHKYOD-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2sc3c(c12)CCCC3)NN=Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPONKQKKYRXCY-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2sc3c(c12)CCCC3)NN=Cc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMNZCGCTZXGMOV-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2sc3c(c12)CCCC3)NN=Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZGLZGKCJCBZNL-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2sc3c(c12)CCCC3)NN=Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGSLGTVCVGMDHC-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2sc3c(c12)CCCC3)NN=Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRTHLAHNZMEXEG-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2sc3c(c12)CCCC3)NN=Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCSDDBMUJVKQDJ-UHFFFAOYSA-N", "SMILES:CCCCOc1nnc(CNc2ncnc3sc4c(c23)CCCC4)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBAIIDDFLEGPI-UHFFFAOYSA-N", "SMILES:CC1=NN(C(=O)CNc2ncnc3sc4c(c23)CCCC4)C(C)(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQKHFKQYAXNQX-UHFFFAOYSA-N", "SMILES:CC1(O)CC(c2ccccc2)=NN1C(=O)CNc1ncnc2sc3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWEGLMFNJWVWBT-WAYWQWQTSA-N", "SMILES:O=C(O)/C=C\\C(=O)NNC(=O)CNc1ncnc2sc3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHDZQZQSPHTQA-UHFFFAOYSA-N", "SMILES:NNC(=O)CNc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEMVBJORYQXCG-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2sc3c(c12)CCCC3)NN=Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRIUFOLCZLZHND-UHFFFAOYSA-N", "SMILES:COc1ccc(C=NNC(=O)CNc2ncnc3sc4c(c23)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJVLLPBQBFOBLZ-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2sc3c(c12)CCCC3)NN=C1C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBOXOKXYDSIHM-UHFFFAOYSA-N", "SMILES:O=C(CNc1ncnc2sc3c(c12)CCCC3)NNC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLUVJHGVJVBOS-HBSHOIKCSA-N", "SMILES:CCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYFZPAXTPPYSEC-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQLCYIBXICLES-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXCSOWWDBANDF-YOWUPJJWSA-N", "SMILES:Cc1cc(CNCCCC(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@@H](O)C[C@@H]2C(=O)N[C@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIXLTMOWMXIPA-UHFFFAOYSA-N", "SMILES:O=C(NCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1cc2ccccc2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRLJLGQCVYOTG-CMDGGOBGSA-N", "SMILES:COc1cccnc1C(=O)/C=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRGXCIUVAKLRJ-CSKARUKUSA-N", "SMILES:COc1cccnc1S(=O)(=O)/C=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDICVLYRPVNKLR-VQHVLOKHSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2ccccc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZLNLSPXFBSXJG-CMDGGOBGSA-N", "SMILES:COc1ccc(S(=O)(=O)/C=C/c2ccccc2C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPOPAVMYPDEPQQ-MDZDMXLPSA-N", "SMILES:COc1cccc(S(=O)(=O)/C=C/c2ccccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODMLVXPLVSWTDZ-CSKARUKUSA-N", "SMILES:COc1cccnc1S(=O)(=O)/C=C/c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJAPTDPNJGDBIQ-CSKARUKUSA-N", "SMILES:COc1cccnc1S(=O)(=O)/C=C/c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPBSXXLGAHCZQQ-VQHVLOKHSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSGEGWIIIRMJK-SOFGYWHQSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIBOJHCGSOIHGP-VQHVLOKHSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJMXZLPILDEMJ-CMDGGOBGSA-N", "SMILES:COc1ccc(S(=O)(=O)/C=C/c2ccccc2Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMDMNIGYJRCKHH-MDZDMXLPSA-N", "SMILES:COc1cccc(S(=O)(=O)/C=C/c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCXMEUXIOVJPTC-RMKNXTFCSA-N", "SMILES:COc1cccnc1S(=O)(=O)/C=C/c1ncccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXWIZISXDRGDRF-VMPITWQZSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2ncccc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJNWAQFFKDXOAL-SOFGYWHQSA-N", "SMILES:COc1ccc(S(=O)(=O)/C=C/c2ncccc2C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUVFVAUYGPWPQ-VQHVLOKHSA-N", "SMILES:COc1cccc(S(=O)(=O)/C=C/c2ncccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYLWCMNXIIVLU-RMKNXTFCSA-N", "SMILES:COc1cccnc1S(=O)(=O)/C=C/c1ncccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHOCZWVKINPAFP-VMPITWQZSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2ncccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCCMEBCSMJIXHP-FNORWQNLSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2ccc(Cl)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVWZQMHXHQMDHY-SOFGYWHQSA-N", "SMILES:COc1ccc(S(=O)(=O)/C=C/c2ncccc2Cl)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNAIZVGFMJRLAL-VQHVLOKHSA-N", "SMILES:COc1cccc(S(=O)(=O)/C=C/c2ncccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZFKYFVSSMEDJ-JXMROGBWSA-N", "SMILES:COc1cccnc1/C=C/S(=O)(=O)c1ncccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDZHGQCVBBTIR-VMPITWQZSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2cccnc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRGIKJGNGPWMJ-FNORWQNLSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2ccc(Cl)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNSERNVYZTEKO-QPJJXVBHSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2ccnc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSIAFKJGNRVHON-QPJJXVBHSA-N", "SMILES:COc1ccnc(S(=O)(=O)/C=C/c2ccncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNYGCYOUZXCJBI-VQHVLOKHSA-N", "SMILES:COc1ccncc1S(=O)(=O)/C=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPOSDMEOIZDIW-CSKARUKUSA-N", "SMILES:COc1ncccc1S(=O)(=O)/C=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMAACNJFJMKMIG-CSKARUKUSA-N", "SMILES:COc1ncccc1S(=O)(=O)/C=C/c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTHBAYDPJCWJFP-VMPITWQZSA-N", "SMILES:COc1ccncc1S(=O)(=O)/C=C/c1ncccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABOAEHJZEGQPSF-RMKNXTFCSA-N", "SMILES:COc1ncccc1S(=O)(=O)/C=C/c1ncccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOWHRAAKHTNOP-RMKNXTFCSA-N", "SMILES:COc1ncccc1S(=O)(=O)/C=C/c1ncccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJRGYRWNXVRIJ-CSKARUKUSA-N", "SMILES:COc1cccnc1[S+]([O-])/C=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBAWVGLADPFHA-VQHVLOKHSA-N", "SMILES:COc1ccnc([S+]([O-])/C=C/c2ccccc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZCPWIPAJBFKOJ-CMDGGOBGSA-N", "SMILES:COc1ccc([S+]([O-])/C=C/c2ccccc2C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUDEIUGKSUYTA-MDZDMXLPSA-N", "SMILES:COc1cccc([S+]([O-])/C=C/c2ccccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSQSJUBWMPQUFZ-LSCFUAHRSA-N", "SMILES:Cc1cc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@H](O)[C@@H]2O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJNJCRFUSDIGE-LSCFUAHRSA-N", "SMILES:COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGVUZJDYRPKCN-SCFUHWHPSA-N", "SMILES:COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@H](O)[C@@H]2O)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGYNJJZMXZVAS-NVQRDWNXSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(Cl)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBZVRBYSKGMSFK-NVQRDWNXSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGIUMLJFFPBJDQ-WVSUBDOOSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(OC)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHKNPOBBVRMHQB-LSCFUAHRSA-N", "SMILES:CNc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFLZAFBNWONBS-SCFUHWHPSA-N", "SMILES:CNc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDKGKPHPXQMQBR-SCFUHWHPSA-N", "SMILES:CNc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(C)c(Cl)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFZHFJKZHPMBQZ-SCFUHWHPSA-N", "SMILES:CNc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSMMYJPTKWLLM-NVQRDWNXSA-N", "SMILES:CNc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(OC)c(C#N)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCADKSZGFPCMHL-NVQRDWNXSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTIXJHXTNDDBFL-WVSUBDOOSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDHNDCVCJQCBV-WVSUBDOOSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFNQXASZXCUFE-QTQZEZTPSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(OC)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUPMILQLMPBBH-HUBRGWSESA-N", "SMILES:CN(C[C@H]1O[C@@H](n2cc(C#Cc3ccccc3)c3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MICHEQZXWLTCEE-VBHAUSMQSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C[C@H]2O[C@@H](n3cc(C#Cc4ccccc4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTZUBYJSRLXUNT-VBHAUSMQSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C[C@H]2O[C@@H](n3cc(C#Cc4ccccc4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VACQJGZHGGHXKH-VBHAUSMQSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C)C[C@H]2O[C@@H](n3cc(C#Cc4ccccc4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSQXNSRQPSNPN-BQOYKFDPSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C[C@H]2O[C@@H](n3cc(C#Cc4cnc5ccccc5c4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZANWIMBMDXYMTC-BQOYKFDPSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(C)C[C@H]2O[C@@H](n3cc(C#Cc4cnc5ccccc5c4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOCANSAUHUIHJ-WVSUBDOOSA-N", "SMILES:CCN(C[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLHLSYBNJKQFT-CTDWIVFPSA-N", "SMILES:CN(C[C@H]1O[C@@H](n2cc(C#Cc3cnc4ccccc4c3)c3c(N)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJJNOMZIYFTWIY-BQOYKFDPSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C)C[C@H]2O[C@@H](n3cc(C#Cc4cnc5ccccc5c4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMKNTXBNSBSLMX-QWOIFIOOSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C)C[C@H]2O[C@@H](n3cc(C#Cc4cnc5ccccc5c4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJJHEKWIBTUWDR-ZYWWQZICSA-N", "SMILES:COc1ccc(S(=O)(=O)N(C)C[C@H]2O[C@@H](n3cc(C#Cc4ccccc4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHLHOYCEJNEVGW-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUXYMAQESACGL-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(CC(C)(C)C)C(C(=O)OCc2ccccc2)=C(C)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIMZCWGIZZQDDV-LTGZKZEYSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQDMSYQOLAXBV-RCCKNPSSSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRDXZHVBQCGVEO-RCCKNPSSSA-N", "SMILES:CCOC(=O)C1=C(Nc2cccc(F)c2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYKKGWMIVSQHOW-RCCKNPSSSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGAJUOMYZKHJH-CJLVFECKSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNVGNZGCRRVQG-CJLVFECKSA-N", "SMILES:CCOC(=O)C1=C(Nc2cccc(OC)c2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVWBQVECPTHHL-RCCKNPSSSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(Br)cc2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFQAMYEXPUQEN-RCCKNPSSSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccccc2Br)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOQXDKBXMYKBN-RCCKNPSSSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDENBUCUORNNSN-RCCKNPSSSA-N", "SMILES:CCOC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIUFLCYWKSTDDA-CJLVFECKSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXZFHJOQAYZEPK-XQNSMLJCSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(OC)c(OC)c2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXICSCXIBSIDOQ-HAVVHWLPSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(CC)cc2)S/C(=C/c2[nH]c(C)c(C(=O)NCCN(CC)CC)c2C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METOGDKAEFMHJV-HMMYKYKNSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3ccccc3)=C(C(=O)NC)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTXPLJDPZVXNGP-RCCKNPSSSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(OC)c3)=C(C(=O)NC)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPHMNJZEILZFR-XSFVSMFZSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(F)c3)=C(C(=O)NC)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPKLXLTZDOVWOF-HKOYGPOVSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(F)c3)=C(C(=O)NCCNC(=O)OC(C)(C)C)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKQUZDNPKOZPT-LYBHJNIJSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3ccccc3)=C(C(=O)NCCNC(=O)OC(C)(C)C)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQRKXEAVKKPLLD-HKOYGPOVSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(Cl)c3)=C(C(=O)NCCNC(=O)OC(C)(C)C)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOMSZAYZGDNAY-NLRVBDNBSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(F)c3)=C(C(=O)NCc3ccccc3)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVBKHPZZCBQNP-HMMYKYKNSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/OC(Nc3ccccc3)=C(C(=O)NC)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUMFCIYHMDJLAT-LYBHJNIJSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/OC(Nc3ccccc3)=C(C(=O)NCCNC(=O)OC(C)(C)C)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTHKNZAALLBDB-HKOYGPOVSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/OC(Nc3cccc(F)c3)=C(C(=O)NCCNC(=O)OC(C)(C)C)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSDWIUDWHOOFH-RCCKNPSSSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(F)c3)=C(C(=O)NCCN)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYOSMSCXRBCMS-LTGZKZEYSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3ccccc3)=C(C(=O)NCCN)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDENYZCAPZWMTB-RCCKNPSSSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(Cl)c3)=C(C(=O)NCCN)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPXTKOFYZZIHM-CJLVFECKSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(OC)c3)=C(C(=O)NCCN)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNPSJABERNWCS-LTGZKZEYSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/OC(Nc3ccccc3)=C(C(=O)NCCN)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEJWBZLBBPWCAE-RCCKNPSSSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/OC(Nc3cccc(F)c3)=C(C(=O)NCCN)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOIVVNAPKYMARD-XSFVSMFZSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(Cl)c3)=C(C(=O)NC)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXNJLKAVMSPHD-XSFVSMFZSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=C(C(=O)NC)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAWZSIKKFNABIA-XSFVSMFZSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc([N+](=O)[O-])c3)=C(C(=O)NC)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKUSMQJPYRIDLS-NCELDCMTSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2/SC(Nc3cccc(OC)c3)=C(C(=O)NCCNC(=O)OC(C)(C)C)C2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2397014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHHOTZUJIXPJX-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1ncc(F)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLGWUCNXOBLWFM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUPQCDZQEXHWDC-UHFFFAOYSA-N", "SMILES:CCOc1cc(N2CCOCC2)ccc1Nc1ncc(F)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDPHVKREUITMK-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)nc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3906208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYQTYHISVSPMSU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRUGRNBEPWHFW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(C(=O)Nc3cc(N4CCC(C(C)(C)O)C4)ncc3C(F)(F)F)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCBRXKQIWRBBQ-UHFFFAOYSA-N", "SMILES:CCC(Sc1ccc2nnc(-c3cccs3)n2n1)C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYLLDAJXAXGQDC-UVHMKAGCSA-N", "SMILES:CNc1nc(N/N=C/c2cccc3ccccc23)nc(Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWOOFLYWBNREFP-UHFFFAOYSA-N", "SMILES:Cc1c2c(nn1C1CCOCC1)OCCCNc1nc(ncc1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1704182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLQKHLWJIQQKDD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nc(N)ncc2-c2ccccc2OC)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5420802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCNUHOZLIZTBDF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3ccccc3N)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYRCZSDEZNTXOB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3cccc(N)c3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFBIREAQYVNBGM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3ccc(N)cc3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZIOQOPJEWIKLM-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3ccccc3O)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNEZIZNFSQAJCL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3cccc(O)c3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGFCXFOLVMPSMW-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3ccc(O)cc3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTWYPJJCOWQNIW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1nc(Nc2cc(C)[nH]n2)c2ccc(N3CCN(C)CC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXLKFIKCHUFPKF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCN(C)CC4)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYSKFCQDLEGDW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCN(C)CC4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYYOVUKZKSMTJK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCN(C)CC4)cc3n2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUMZRFSBASGKTH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCOCC4)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIURTQNXMGHHR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCOCC4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOSXFJUNLJUND-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCN(C)CC4)cc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGORWMAWHZTLCL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3ccc(OS(=O)(=O)F)cc3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBMDFZRFAMTRLI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3ccccc3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKUPNUMMPYUBL-YYGMOAEJSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)Nc3ccc4ccccc4c3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRTYWBPPISVEMI-PGRDOPGGSA-N", "SMILES:C=CC(=O)NC1CCN(c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIVOQREMFIWSD-PGRDOPGGSA-N", "SMILES:C=CS(=O)(=O)NC1CCN(c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSVRKYPFEPVSQV-PGRDOPGGSA-N", "SMILES:CCS(=O)(=O)NC1CCN(c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXYLBUZTVAMYFM-PGRDOPGGSA-N", "SMILES:C=CS(=O)(=O)N1CCC(Nc2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYQVFOFDUCQKFD-PGRDOPGGSA-N", "SMILES:CCS(=O)(=O)N1CCC(Nc2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSYHYDWRWLHDMJ-MUAVYFROSA-N", "SMILES:C=CC(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1N1CCN(CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXGQEIKNGFRLS-MUAVYFROSA-N", "SMILES:CCC(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1N1CCN(CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXIRPBPLKYTMEC-MUAVYFROSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1N1CCN(CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPHYBXQUOQKRE-HTAPYJJXSA-N", "SMILES:C=CS(=O)(=O)NC1CCN(c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUOARIBOZWKSRP-HTAPYJJXSA-N", "SMILES:CCS(=O)(=O)NC1CCN(c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVOUSDVMDFBSSZ-HTAPYJJXSA-N", "SMILES:C=CC(=O)NC1CCN(c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIOQKSCPYKDFT-HTAPYJJXSA-N", "SMILES:CCC(=O)NC1CCN(c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGRCPUMFBMFMPU-HRAATJIYSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(N3CCC(NC(=O)CCl)CC3)cc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOCKHPFZXELIK-JJKBQAIRSA-N", "SMILES:C=CS(=O)(=O)NC1CCCN(c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKBXGAJWQCILM-JJKBQAIRSA-N", "SMILES:C=CC(=O)NC1CCCN(c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPNBDYKHMNVNLL-QSCSDJCXSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(N3CCCC(NC(=O)CCl)C3)cc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANJMDOVXJACED-JJKBQAIRSA-N", "SMILES:CCC(=O)NC1CCCN(c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJRHNQFTOEWCH-HTAPYJJXSA-N", "SMILES:C=CS(=O)(=O)N1CCC(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWYJXHJZJFHBD-AVRWGWEMSA-N", "SMILES:C=CC(=O)Nc1cc(-c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVUSTPZIJXGURD-AVRWGWEMSA-N", "SMILES:CCC(=O)Nc1cc(-c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRITZRDIYPFCV-AVRWGWEMSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZLELRNOYXINB-AVRWGWEMSA-N", "SMILES:CCC(=O)Nc1cc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQIINHFXMKKOZ-AVRWGWEMSA-N", "SMILES:C=CS(=O)(=O)Nc1cc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)ccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQDKUOGTAYGPQ-CCLHPLFOSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFKUWHCLXYGSY-CCLHPLFOSA-N", "SMILES:CCC(=O)Nc1cc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZEDPWAGLDTFBQ-CCLHPLFOSA-N", "SMILES:C=CC(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCVZLYHIYOOTJW-CCLHPLFOSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWYRASQXMQPFZ-PZGXJGMVSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1N1CCN(CC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMAQIOMBHRWQK-AVRWGWEMSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTIXTMYOCJLXMB-GAJHUEQPSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQAZTCASDHUAIR-MHECFPHRSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGEKXGBASTVMCR-QMHKHESXSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVTJZHKAGDIAEC-HNNXBMFYSA-N", "SMILES:C=CS(=O)(=O)NC1CCN(c2ccc([C@H](C)Nc3ncc(C#N)cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWPBXFLMXKPDN-HNNXBMFYSA-N", "SMILES:CCS(=O)(=O)NC1CCN(c2ccc([C@H](C)Nc3ncc(C#N)cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWJYARYTOPAZKZ-KRWDZBQOSA-N", "SMILES:C=CS(=O)(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ccc(C#N)cn3)cc2)cc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJGRVKUGIDBUEG-KRWDZBQOSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ccc(C#N)cn3)cc2)cc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWVIHWWNODTZKN-KRWDZBQOSA-N", "SMILES:C=CC(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ccc(C#N)cn3)cc2)cc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDKJLQQGAYDCMC-AFMDSPMNSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(NC(=O)CCl)c(N4CCOCC4)c3)cc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLNYGSWDZCGZKY-CCLHPLFOSA-N", "SMILES:CCC(=O)Nc1ccc(Nc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHFCNCGSNLDJN-IUQUIDOOSA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCc3cn(Cc4ccc(Cl)cc4)nn3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHGBUWCYWPRLF-SQIJLRSRSA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCc3cn(C/C=C/c4ccccc4)nn3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSMXFFSUJBAJGI-IUBULWHHSA-N", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCc3cn(CCCOS(=O)(=O)c4ccc(C)cc4)nn3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVKAVYGUGBZNH-ZUMFDBBVSA-N", "SMILES:CCCCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTJKSCNSCEMEY-NOENIZQJSA-N", "SMILES:CCc1cccc(NC(=O)[C@@H](Cc2ccc(O)c(O)c2)OC(=O)/C=C/c2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOIZXKUFONRLA-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CCOC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDUISXUXPXLDDU-NTISSMGPSA-N", "SMILES:C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZSGOHYHAAFRQT-JIDHJSLPSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWFITUVOWOLVPA-YCBFMBTMSA-N", "SMILES:C[N+](C)(C)CCOC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTXYJYGKMWMBZ-YCBFMBTMSA-N", "SMILES:CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFUDYWDUMXPXIM-YNMZEGNTSA-N", "SMILES:CC(C)(C)OC(=O)n1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCC[N+](C)(C)C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHRWXLTWNNMPJM-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERIWXSFDBXCKC-NTISSMGPSA-N", "SMILES:C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGDYDHFBGKDALD-JIDHJSLPSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYRNGUSYSGMFM-YCBFMBTMSA-N", "SMILES:C[N+](C)(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCMOZYBUXHHIC-YCBFMBTMSA-N", "SMILES:CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[N+](C)(C)C.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTIHIDXOXOQOGS-YNMZEGNTSA-N", "SMILES:CC(C)(C)OC(=O)n1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NCC[N+](C)(C)C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL178424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRUUWFGLGNQLI-QFIPXVFZSA-N", "SMILES:CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5397715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADOHASQZJSJZBT-SANMLTNESA-N", "SMILES:CC(C)(C)OC(=O)n1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5424956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQASSPRFDGJEM-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCO[N+](=O)[O-])c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGJFLAZFVFKOBE-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCCO[N+](=O)[O-])c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMNCAHYMXPFMCZ-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCCCO[N+](=O)[O-])c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZSASWEMXTDDA-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCCCCO[N+](=O)[O-])c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIXSRICRWPNYQG-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCCCCCO[N+](=O)[O-])c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDMBJZNTUSTIL-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCc4c(-c5ccccc5)no[n+]4[O-])c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFRFSVXWPITEO-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCc4ccccc4OCc4c(-c5ccccc5)no[n+]4[O-])c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYRFFDYBEOCXGT-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCc4cccc(OCc5c(-c6ccccc6)no[n+]5[O-])c4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTEVOJBODQTKBU-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPDHBQATBKHTTQ-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIFBYEJOLHDPSN-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSMKBHOQZDCGL-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAWQSSUTYKADRI-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCCCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHGFJMAIKSUNK-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCC#CCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAIHCABUCZDWNF-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)OCCOCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMJYHPSPWWQPX-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)NCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGICXXCKQBYJV-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3nn(CCCC(=O)NCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c4ncnc(N)c34)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUOKPGFVISUKX-UHFFFAOYSA-N", "SMILES:CC(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)NC(=O)CCCn1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQSMEDUZQDVLA-MHVOBNHCSA-N", "SMILES:C=C1C(=O)O[C@@]23C1CC[C@@H](C)[C@@H]2CC[C@@]1(C)O[C@@H]31"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5395293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGYTUAMAYATHT-SETACZCPSA-N", "SMILES:CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5439396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQJPFOUJIKCIC-GYPHWSFCSA-N", "SMILES:COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRUXSGTPSXJMJ-HZAMXZRMSA-N", "SMILES:COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTCCYLVXAWJJN-USDKYCQXSA-N", "SMILES:CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRWPHKLECMWEJ-QVRKFBGTSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC(=O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC(C)C)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGVXYIDCOYAMZ-VVIGMOMWSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC(=O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC4CC4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZGJNLKMLNGEQW-NJJMPPFPSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC(=O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OCC4CC4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOLFNWBZCARUQL-CELHNPCVSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC(=O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC4CCCC4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSNDOKORRCPDY-NVHREJONSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC(=O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OCC4CCCC4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDGVYSPVBWVCU-WXFJGXDSSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC(=O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)Oc4ccccc4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUIDEVAQNYRTG-IUDPRHNGSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC(=O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OCc4ccccc4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLHYKYYFRDMRJ-DWMATCDLSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC(=O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)Oc4cccc5ccccc45)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXVMHGBIDCPAQD-OCCHXLOTSA-N", "SMILES:CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFOZSJNIJLSNGH-SREHDYERSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC(C)C)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWUHTWOURMCKKX-MZRRINJFSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC4CC4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQLBSGKOPBEFC-NFEPSQGPSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OCC4CC4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIPOJVDJOIIPQF-DQAHANRYSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC4CCCC4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOURJKGVXJTLGE-WTZIRUNOSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OCC4CCCC4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWWTYEQZRHLRRO-UOHJWHLMSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)Oc4ccccc4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCFSHNBTBUGHN-QVNHKTGWSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)OCc4ccccc4)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGLNEZWRUNMSK-WIVJGNOOSA-N", "SMILES:CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)Oc4cccc5ccccc45)CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPRLKMQWXHCDF-HNNXBMFYSA-N", "SMILES:CCCCCCC[C@H]1Cc2cc3c(c(O)c2CO1)C(=O)C(=O)C(OC)=C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAWKBUWUEPBKGB-BQYQJAHWSA-N", "SMILES:CCCC/C=C/c1c(OC)cc(=O)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGVJFGFGANTAC-UHFFFAOYSA-N", "SMILES:CCCCCCc1c(OC)cc(=O)oc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRNXUWFLHCVBL-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(C)c(O)c1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOAOKAHBAINRFM-SUEUGOHUSA-N", "SMILES:CC(C)C[C@]1(O)C(O)=C([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)C(=O)C([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)=C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463241", "category": ["biolink:ChemicalEntity"], "name": "MORACIN D", "xref": ["InChIKey:CHAAQDMHLLQJRO-UHFFFAOYSA-N", "SMILES:CC1(C)C=Cc2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL453280", "category": ["biolink:ChemicalEntity"], "name": "ISOFORMONENTIN", "xref": ["InChIKey:LNIQZRIHAMVRJA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5424599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYRJFKFZTHWZOR-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QESBWEAXMQUJOF-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(NCCCNC(=S)NCCC(=O)O)nc(Nc3ccccc3Cl)n2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONNGCMJURGJCB-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)nc(NC2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWCKZTRLLVCGPB-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)nc(NC2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZHSTXIHWEPRM-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)nc(NC2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOYYBJUNEDDFKA-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2cc(F)cc(F)c2)nc(Nc2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNONOFRZFTIGY-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cccc1Nc1nc(NCCCNC(=S)NCCC(=O)O)nc(Nc2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCKIEKKOKPJWKO-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(NCCCNC(=S)NCCC(=O)O)nc(Nc3ccccc3Cl)n2)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBJBSRDXLMUAS-IBGZPJMESA-N", "SMILES:CC[C@H](Nc1nc(NCCCNC(=S)NCCC(=O)O)nc(Nc2ccccc2Cl)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQARIJMJBOXHIX-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCc2ccccc2)nc(Nc2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYTYQLVLQNQAE-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(NCCc2ccccc2)nc(Nc2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSNXHNPKIVOIMA-UHFFFAOYSA-N", "SMILES:CC(CCc1ccccc1)Nc1nc(NCCCNC(=S)NCCC(=O)O)nc(Nc2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSXTMHKFNSXLZ-UHFFFAOYSA-N", "SMILES:O=C(O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)nc(N2CCCC2c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBQOZIRAIFTNR-JOCHJYFZSA-N", "SMILES:CC(C)(C)OC(=O)[C@H](Nc1nc(NCCCNC(=S)NCCC(=O)O)nc(Nc2ccccc2Cl)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4091790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOFISAQILJQSAW-BXHYZMNOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc2ccccc2c1)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVZSFACJMSFKHJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3ncn(Cc4ccccc4)c3c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWYDOGAFZQWAO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3cnn(Cc4ccccc4)c3c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIOYQGYQSTKEP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3ccn(Cc4ccccc4)c3c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKYJOXKDYLZHR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3nnn(Cc4ccccc4)c3c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHPEZFIGQDOJR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3[nH]c(=O)n(Cc4ccccc4)c3c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJURAGYAMLWSMK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)CN3)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPQNPAMSLRZZFJ-UHFFFAOYSA-N", "SMILES:CC[S+]([O-])c1cc(-c2cc(C)c(=O)n(C)c2)cc2c1[nH]c(=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSXBFJOHGPSQPV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1cc(-c2cc(C)c(=O)n(C)c2)cc2c1[nH]c(=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVYHSBHYQPZRS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Cc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1[nH]c(=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYFYKUVIZOSFIU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1[nH]c(=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GABGDDXZLUEGSI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NCc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1[nH]c(=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSGTLFZFRPYJG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)n(Cc2ccccc2)c(=O)n3C)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXVJSPKHZPBFNP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)n(Cc2ccccc2)c(=O)n3C(C)C)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILYZXQIVAQDBT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)n(Cc2ccccc2)c(=O)n3CC(C)C)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQFNHIKKDPHCN-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(Cc2ccccc2)c2cc(-c3cc(C)c(=O)n(C)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AECJDHHPJWVPIZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Cc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1n(C)c(=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWDUGXFXIGRWHC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NCc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1n(C)c(=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVSDAUHDJBCAA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3c4c(c2)n(Cc2ccccc2)c(=O)n4CCO3)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWJDZKITFFVCA-DOIPELPJSA-N", "SMILES:CO[C@H]1[C@H](O)[C@@H](O)c2nc(CCc3cccc(Oc4ccccc4)c3)cn2[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPIFCWAYCDCWAK-LNRXMEIDSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(CCc4ccccc4)cc3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZCHEVPEHZOUQI-JSXRDJHFSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(CCc3cn4c(n3)[C@H](O)[C@@H](O)[C@H](O)[C@H]4C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWHXRIXYOCWMHQ-ZGXWSNOMSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(S(=O)(=O)c4ccccc4)cc3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCEOFDUHAMBJLA-ZGXWSNOMSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(Oc4ccccc4)cc3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQUVPLCJSCNPK-ZGXWSNOMSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3cccc(Oc4ccccc4)c3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXIFQBOCSNKYBP-XWTMOSNGSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(-c3ccc(Oc4ccccc4)cc3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMQOVLMTRYZVDY-GSPCLOLRSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(C3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICXDIPPUZZRWLG-ZGXWSNOMSA-N", "SMILES:COc1c(CCc2cn3c(n2)[C@H](O)[C@@H](O)[C@H](O)[C@H]3C(=O)O)cccc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWIXVCQOLAPTMR-GSPCLOLRSA-N", "SMILES:CC(C)c1ccc(Oc2cccc(CCc3cn4c(n3)[C@H](O)[C@@H](O)[C@H](O)[C@H]4C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQLQGVHVHDLCK-JSXRDJHFSA-N", "SMILES:COc1cccc(OC)c1Oc1cccc(CCc2cn3c(n2)[C@H](O)[C@@H](O)[C@H](O)[C@H]3C(=O)O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYRCSOZWSOWLP-LCNPJRBVSA-N", "SMILES:CCCC[C@@H]1C[C@@H]2C(C(=O)OCC(C)C)=C(O)[C@H](C(=O)OCC(C)C)[C@@](O)([C@@H]1C(=O)OCC(C)C)[C@H]2C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTCVDLADJPEGQ-IOCKLBRGSA-N", "SMILES:CC(C)COC(=O)C1=C(O)[C@H](C(=O)OCC(C)C)[C@@]2(O)[C@H](C(=O)OCC(C)C)[C@H](C)C[C@H]1[C@@H]2C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFZGBTDGDFTKOG-SAGJQFEGSA-N", "SMILES:CCCC[C@@H]1C[C@@H]2C(C(=O)OCC(C)C)=C(O)[C@H](C(=O)OC)[C@@](O)([C@@H]1C(=O)OC)[C@H]2C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFHKOYMQVMSQZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([As]2SCCCS2)cc1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNXCJIILXKGLCX-UHFFFAOYSA-N", "SMILES:O=C(CCNC(=O)C(Cl)Cl)Nc1ccc([As]2SCCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGHVDZXIKYWSP-UHFFFAOYSA-N", "SMILES:O=C(CCCNC(=O)C(Cl)Cl)Nc1ccc([As]2SCCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUZLJKJFKWPURT-UHFFFAOYSA-N", "SMILES:O=C(CCCCNC(=O)C(Cl)Cl)Nc1ccc([As]2SCCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXYVYATHKCHQK-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)C(Cl)Cl)Nc1ccc([As]2SCCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXZGPGWWEXYYKE-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)C(Cl)Cl)Nc1ccc([As]2SCCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPWDLZDMRGTDW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCNC(=O)C(Cl)Cl)Nc1ccc([As]2SCCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHOYUVWKPOSAH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCCCCCNC(=O)C(Cl)Cl)Nc1ccc([As]2SCCCS2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTJHDSZOSNJYPG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1[As]1SCCCS1)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPDVKEWVPCCOHP-UHFFFAOYSA-N", "SMILES:O=C(CCNC(=O)C(Cl)Cl)Nc1ccccc1[As]1SCCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBUAPDKXTCAEQI-UHFFFAOYSA-N", "SMILES:O=C(CCCNC(=O)C(Cl)Cl)Nc1ccccc1[As]1SCCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZQMDXOWUPTJT-UHFFFAOYSA-N", "SMILES:O=C(CCCCNC(=O)C(Cl)Cl)Nc1ccccc1[As]1SCCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDGHVZAMZBOEGM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC(=O)C(Cl)Cl)Nc1ccccc1[As]1SCCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHPVHCZSMKULI-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)C(Cl)Cl)Nc1ccccc1[As]1SCCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMAUDNAJVOTHIZ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCNC(=O)C(Cl)Cl)Nc1ccccc1[As]1SCCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZMIVZSJCEKAJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCCCCCNC(=O)C(Cl)Cl)Nc1ccccc1[As]1SCCCS1"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5465327"], "id": "UniProtKB:Q8BFP9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5465359"], "id": "UniProtKB:Q9JK42", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5465338"], "id": "UniProtKB:Q922H2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5465276"], "id": "UniProtKB:O70571", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGJCNKNNQGEWOQ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNPVDPRJNHPPEN-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2cc3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZASNLFZEDKARC-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2nc3ccccc3o2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUEYGWBMMOGCGK-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2nc3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHFOKYUKSODFR-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3scnc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQPZFHMTLARPH-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2cccc3scnc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNCEIPHSZSMLQ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(C(=O)O)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRQPDIVBGBSCAX-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3cc(C(=O)O)ccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTHXTOOYMLODU-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3cc(C(=O)O)ccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXKQPFXETCMHPD-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3nc(N)sc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL529140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQJXMZTERLFHI-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXLTKQQGPWEFB-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Br)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPGAQLSCYDFPBI-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(B(O)O)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLQTJBROSMPFH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKGZLPCRKHVBI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSXYKZUBXQQPS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2nc(Cn3ccc4c5c(N)nc(N)nc5ccc43)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCSWDEAHVOILIA-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3occc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDTRNWAXDGKSJO-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3sccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUDMHALYIUKYDZ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3ncsc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRGGVBMJKISAEU-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2nc3ccc(C(=O)O)cc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTRGTMQCCAPJOV-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2cccc3sc(N)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSLMGDVFSKLWOG-UHFFFAOYSA-N", "SMILES:Cc1cc2c3c(N)nc(N)nc3ccc2n1Cc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTWHQSGGVWPNC-UHFFFAOYSA-N", "SMILES:Cc1cc2c3c(N)nc(N)nc3ccc2n1Cc1cccc2scnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL587612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKQXMSDRDDHCOR-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(-c3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXUDACDLCWMNPA-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)cc2)c(O)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1312583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLYTXHNBXAEKL-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)cc2)c(O)c1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQPSWWZMGGDMDM-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)cc2)c(O)c1S(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWBPGDWWIICZLF-UHFFFAOYSA-N", "SMILES:Cc1cc(OC(=O)c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDCFNQNYUEDCM-UHFFFAOYSA-N", "SMILES:O=C(CCc1cn(-c2ccc(Cl)cc2)nn1)Oc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKMORROSIOGIPA-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)c1cn(-c2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBKCDMOSNZQGSX-UHFFFAOYSA-N", "SMILES:O=C(C1CCN(c2nnc(-c3ccccc3)o2)CC1)N1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3183055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHMVTPSXVQQKPA-WLHGVMLRSA-N", "SMILES:CN(C)CCc1c[nH]c2ccccc12.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHMVTPSXVQQKPA-IOHXQUACSA-N", "SMILES:O=C(O)/C=C/C(=O)O.[2H]C([2H])(Cc1c[nH]c2ccccc12)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXYLCRGEOYJYMM-SBOZNWLOSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANMPVOMVFYULW-YERCRUGSSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NN(C[C@@H]1CCNC1=O)C(=O)CCl)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYAWTPBTNQNHW-TYXVVTFGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)C(F)(F)C(F)(F)F)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUWMPPHAKQYXEO-UYLCUJDWSA-N", "SMILES:CCC(CC)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQVAJXPBIFIHQJ-VIUKOLAESA-N", "SMILES:CCC(C)(C)[C@H](NC(=O)C1(F)CC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTQAYVMSRLKBV-SRXCXNETSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](F)Cl)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)NN(C[C@@H]1CCCNC1=O)C(=O)[C@@H](F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZTVIDXLKAPKMW-HJAPSNDCSA-N", "SMILES:[3H]CC([3H])C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NC(CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZDTDUMJIUCEP-OFIGZBQTSA-N", "SMILES:[3H]CC([3H])C(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKIXIHKSLXKYOB-HMLABCRHSA-N", "SMILES:[3H]CC([3H])C(=O)NCCCCNC(=O)/N=C(\\N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POYKTLPXZQWHCS-XAIVAONWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCCCNC(=O)[C@H](NC(=O)CCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUITEJWJZHTBH-HNBLRUEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCCCNC(=O)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUITEJWJZHTBH-DIBFXYFISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCCCNC(=O)C[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOOIPCJAFXCKZ-HNBLRUEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCCCNC(=O)[C@@H](N)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPOOIPCJAFXCKZ-DIBFXYFISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCCCNC(=O)[C@H](N)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVRMPOEWONZOW-CSJZEXOISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCNC(=O)CC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLDZQAMPUPORQT-JOGMTIBBSA-N", "SMILES:CCC(=O)N[C@H]1CC(=O)NCCCCNC(=O)/N=C(\\N)NCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLDZQAMPUPORQT-JFCYTAHASA-N", "SMILES:CCC(=O)N[C@@H]1CC(=O)NCCCCNC(=O)/N=C(\\N)NCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDAUUIJOQIYHBS-JOGMTIBBSA-N", "SMILES:CCC(=O)N[C@H]1CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CCCN/C(N)=N/C(=O)NCCCCNC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDAUUIJOQIYHBS-JFCYTAHASA-N", "SMILES:CCC(=O)N[C@@H]1CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CCCN/C(N)=N/C(=O)NCCCCNC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTKYXXPZZCVCV-RTPUXWRKSA-N", "SMILES:CCC(=O)N[C@H]1CCC(=O)NCCNC(=O)/N=C(\\N)NCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTNURPEFWOZFT-JBEIIWGISA-N", "SMILES:CCC(=O)NCCCC(=O)N[C@@H]1CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CCCN/C(N)=N/C(=O)NCCCCNC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZWAAPQAZOKBF-YDOLFNLGSA-N", "SMILES:[3H]CC([3H])C(=O)NCCCC(=O)N[C@@H]1CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CCCN/C(N)=N/C(=O)NCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJWESNUVQMZGH-DEOSSOPVSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc(C(N)=O)cc5)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBKXAFVGNRNEN-DEOSSOPVSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccccc5)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMGKKMUFVLCQJ-SFHVURJKSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBUZLJJVRSQOG-WLOLSGMKSA-N", "SMILES:CNC(=O)c1ccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4cc(N5CCN(C)CC5)ccn4)C3)c2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBXUWVCQRVZPS-WLOLSGMKSA-N", "SMILES:COC(=O)c1ccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4cc(N5CCN(C)CC5)ccn4)C3)c2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDAJXVRISYHICJ-ASMAMLKCSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc(C(=O)O)cc5)c4)C3)c2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKQLWKSTIWDGM-QFIPXVFZSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cncc(-c5ccccc5)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGYNWXOOARXIV-QHCPKHFHSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccncc5)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVWVPKYLFVBMG-QFIPXVFZSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccccc5)n4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYXBHJUZRYHQI-QFIPXVFZSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccccn5)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPQKMXBZWEOFI-NRFANRHFSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(N5CCOCC5)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZZBSLQYACPCDP-YDULTXHLSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(N5CCNCC5)c4)C3)c2)CC1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJIMIIIFRGKPQY-DEOSSOPVSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5cccc(C(N)=O)c5)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRKGJBVVBWIECI-WLOLSGMKSA-N", "SMILES:CNC(=O)c1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4cc(N5CCN(C)CC5)ccn4)C3)c2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRBKVYHROAICE-ASMAMLKCSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5cccc(C(=O)O)c5)c4)C3)c2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSLYMKFLDKRGSM-VWLOTQADSA-N", "SMILES:COC(=O)c1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4cc(N5CCN(C)CC5)ccn4)C3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVDMWHRBKAHGV-AQUVTFJZSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6[nH]cnc6c5)c4)C3)c2)CC1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUJYVUMROFDPHA-NWFGNCPBSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6c(c5)CCNC6)c4)C3)c2)CC1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWROJVRMITBJU-IFUPQEAVSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6[nH]ncc6c5)c4)C3)c2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILWMTRPTBHDAOA-DOTPTTDOSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6c(c5)CCCN6)c4)C3)c2)CC1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXDBMZJQVFAAE-VWIQTUQXSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6c(c5)CCN6)c4)C3)c2)CC1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOPGYYTHQYNKL-QHCPKHFHSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6c(c5)CNC6=O)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWGFOXQBJYTIR-DEOSSOPVSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6c(c5)C(=O)NC6)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQFTYEXWOOUGDI-WLOLSGMKSA-N", "SMILES:CCN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc(C(N)=O)cc5)c4)C3)c2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZBJJRQSBLGLH-ROPHLPQBSA-N", "SMILES:CCCN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc(C(N)=O)cc5)c4)C3)c2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBCGUKWYZVGQLL-ROPHLPQBSA-N", "SMILES:CC(C)N1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc(C(N)=O)cc5)c4)C3)c2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBKRTDNLLFJYCH-SANMLTNESA-N", "SMILES:CN1CCN(c2cccc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc(C(N)=O)cc5)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCGJJCCUXCINFU-AREMUKBSSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@@H]3C(=O)Nc3cccc(-c4ccc(C(N)=O)cc4)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRLKMNVGYCKTTM-QHCPKHFHSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CC[C@H](C(=O)Nc4cccc(-c5ccc(C(N)=O)cc5)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWCHFQQTQLBJV-VWLOTQADSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CC[C@H]3C(=O)Nc3cccc(-c4ccc(C(N)=O)cc4)c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJWESNUVQMZGH-XMMPIXPASA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@@H](C(=O)Nc4cccc(-c5ccc(C(N)=O)cc5)c4)C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDPGKEREIGVLPV-ROPHLPQBSA-N", "SMILES:CCCN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6c(c5)C(=O)NC6)c4)C3)c2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDRNERFVZYAURN-WLOLSGMKSA-N", "SMILES:CCN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6c(c5)C(=O)NC6)c4)C3)c2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYFOPCVISWHPFE-VWIQTUQXSA-N", "SMILES:CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6c(c5)CNC6)c4)C3)c2)CC1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTVUKXKJYRTAR-ZJDMXHPOSA-N", "SMILES:O=C(C[C@@H]1C(=O)Nc2ccccc21)OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5439489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTVUKXKJYRTAR-XCTMEYGKSA-N", "SMILES:O=C(C[C@H]1C(=O)Nc2ccccc21)OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5483070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITUCNGBHDOTMPI-LYNZMMNXSA-L", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CC(=O)[O-])O[C@@](OCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)(C(=O)[O-])C[C@@H]1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHYVZSJTQCGWPA-GTEGFIEMSA-M", "SMILES:O=C(CF)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)(C(=O)[O-])C[C@@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYDZACQODXPPEV-GTEGFIEMSA-M", "SMILES:O=C(CO)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)(C(=O)[O-])C[C@@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNEOAPFVHWVPFU-XFQLFGGUSA-M", "SMILES:CS(=O)(=O)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](OCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)(C(=O)[O-])C[C@H](O)[C@H]1NC(=O)COCc1ccccc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBPATVNDSQHGBP-WYWLNISISA-M", "SMILES:CS(=O)(=O)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](OCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)(C(=O)[O-])C[C@H](O)[C@H]1NC(=O)CF.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTRMTGOSJMCCSL-WYWLNISISA-M", "SMILES:CS(=O)(=O)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](OCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)(C(=O)[O-])C[C@H](O)[C@H]1NC(=O)CO.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCWUPSHHPDPSM-VOKYQHOCSA-N", "SMILES:COc1cc(CCc2cc(O)c3c(c2)OC(C)(C)CC3)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJWKPCYKFHMZSX-ITLAICGJSA-N", "SMILES:CC1(C)CCc2c(O)cc(CCc3cc(O)c4c(c3)C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)O4)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJLHDQHDSJGOX-MMXANPLTSA-N", "SMILES:COc1cc(CCc2cc(O)c3c(c2)OC(C)(C)CC3)cc2c1O[C@]1(C)CC[C@@H](OC=O)C(C)(C)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCFCCDOJPGJVBQ-XDQLDVNZSA-N", "SMILES:COc1cc(/C=C/c2cc(O)c3c(c2)OC(C)(C)CC3)cc2c1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFKFSLXHHGZHHP-VOKYQHOCSA-N", "SMILES:CC1(C)CCc2c(O)cc(CCc3cc(O)c4c(c3)C[C@@H]3C(C)(C)[C@H](OC=O)CC[C@@]3(C)O4)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNLPKXXIDNGVIL-SQMHIVSLSA-N", "SMILES:COc1cc(/C=C/c2cc(O)c3c(c2)OC(C)(C)CC3)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPHLMZMHCHXHFP-QODMNUCZSA-N", "SMILES:COc1cc(/C=C/c2cc(O)c3c(c2)OC(C)(C)CC3)cc2c1O[C@]1(C)CC[C@@H](OC=O)C(C)(C)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIHDOLOFALIBNB-XDOKPFJCSA-N", "SMILES:COc1cc(/C=C/c2cc(O)c3c(c2)OC(C)(C)CC3)cc2c1O[C@]1(C)C[C@@H](OC=O)[C@@H](OC=O)C(C)(C)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDNJECQLZCXDFY-WQRMQLLLSA-N", "SMILES:CC1(C)CCc2c(O)cc(/C=C/c3cc(O)c4c(c3)C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)O4)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMKPMYWSMDYVJC-IZTRPBQQSA-N", "SMILES:C=CCc1c(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c(c1O)O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKACSTTYVBTVFY-JCZAHQRISA-N", "SMILES:CC1(C)CCc2c(O)cc(/C=C/c3cc(O)c4c(c3)C[C@@H]3C(C)(C)[C@H](OC=O)CC[C@@]3(C)O4)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL411344", "category": ["biolink:ChemicalEntity"], "name": "SCHWEINFURTHIN H", "xref": ["InChIKey:RFLJGOACFXZRHJ-ZHIKFPNPSA-N", "SMILES:COc1cc(/C=C/c2cc(O)c3c(c2)OC(C)(C)C(O)C3)cc2c1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5417439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSGMDCONBUKXFI-ZLSLZSISSA-N", "SMILES:COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@@]1(C)[C@H](C2)C(C)(C)[C@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCLGZGCWFAWRSR-UQWWERDESA-N", "SMILES:C#CCOc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIXCOAOQBTADC-UQWWERDESA-N", "SMILES:C=CCOc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEOMYVWLNBJOIW-MGWHEABOSA-N", "SMILES:CC(C)=CCc1c(O)cc(/C=C/c2cc3c(c4c2C=CCO4)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515325", "category": ["biolink:ChemicalEntity"], "name": "MAPPAIN", "xref": ["InChIKey:GJZKDVGLDGLPMB-ZVBRSKEYSA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc(O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL220472", "category": ["biolink:ChemicalEntity"], "name": "SCHWEINFURTHIN E", "xref": ["InChIKey:IYHZCJNEODJYKB-DMCZWXATSA-N", "SMILES:COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL223046", "category": ["biolink:ChemicalEntity"], "name": "VEDELIANIN", "xref": ["InChIKey:OYMAGMAEFPAAGU-HKYLTJPLSA-N", "SMILES:CC(C)=CCc1c(O)cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]2(C)O3)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL223142", "category": ["biolink:ChemicalEntity"], "name": "SCHWEINFURTHIN G", "xref": ["InChIKey:CGJIPMVTBQUUQL-GEDZTWKOSA-N", "SMILES:CC(C)=CCc1c(O)cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL376007", "category": ["biolink:ChemicalEntity"], "name": "SCHWEINFURTHIN F", "xref": ["InChIKey:BUFNPAYKUGAAAO-HLULBIOLSA-N", "SMILES:COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5399337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJOQSWDMMVMFK-PMERELPUSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJOQSWDMMVMFK-SSEXGKCCSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBUFYDETVPHMH-PMERELPUSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFEVWIWKJBVMMX-PMERELPUSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(Br)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPRZNPTUNATDOE-LJAQVGFWSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(NC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZZRHWTXQEMKY-NDEPHWFRSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CN3C(=O)CC[C@H]3CC(=O)NCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWZNWCRXJQHCP-HKBQPEDESA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWZNWCRXJQHCP-WJOKGBTCSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@H]3CCCN3Cc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFARUDAPUKLDQM-ASMAMLKCSA-N", "SMILES:Cl.Cl.Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFARUDAPUKLDQM-PPLJNSMQSA-N", "SMILES:Cl.Cl.Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@H]3CCCN3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPZEWKLYKONOE-HKBQPEDESA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDJULNUAVAMRQL-PMERELPUSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCCN3C(=O)c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUMSTXWLOXCNA-HKBQPEDESA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHBHBHVVOZJLM-DEOSSOPVSA-N", "SMILES:O=C(NO)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDVUXLEGJUVON-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)C3CCCO3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVJLMRJTALEROF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)c3ccccn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSKOFRYMWZXGSF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)c3cc4ccccc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKAXDNQJXJCQEI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCc1ccc(OCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKUYZAGCVBEGSS-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCc1ccc(OCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHOMZYOQMRPBSC-PSTOIHIWSA-N", "SMILES:C/C=C(\\NC(=O)c1csc(-c2csc(-c3ccc4c(n3)-c3csc(n3)[C@H]([C@@H](C)O)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)c3csc(n3)/C(=C/C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3csc-4n3)n2)n1)C(=O)NCCn1c([N+](=O)[O-])cnc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUIHREVFVXLZPR-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMEUTJXSLMQEMU-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITKVRRGOLEHJO-JLHYYAGUSA-N", "SMILES:Cc1cnc(Nc2ccc(/C=C/C(=O)NO)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUJBEUMZUGRMN-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJQYKHVINSAQL-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOOYZXBJNALUAR-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(Nc2nc(Nc3ccc(C(=O)Nc4ccccc4N)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHWRDLOZVTCMG-FMIVXFBMSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(Nc2nc(Nc3ccc(/C=C/C(=O)NO)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEIDBNGOZCZLEZ-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Nc2ncc(Cl)c(Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHERKZSTDCQDRY-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1cccc(Nc2ncc(Cl)c(Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMQAMFFCMRUMDE-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)NO)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMFGBNSYDXGCMP-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQGOQOYJGPSZOI-KPKJPENVSA-N", "SMILES:Cc1cnc(Nc2ccc(/C=C/C(=O)NO)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYGGHIWUVSMRFX-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQLOPDFWVASHS-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJOOEFYVZRPJJP-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAUPVIACBKFXSP-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1Nc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQFGCGOPJGTDBZ-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)NO)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGQIZPMAMUFNQU-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2cccc(C(=O)NO)c2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSUCJABJIQCKR-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(Nc2nc(Nc3ccc(C(=O)NO)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXTCPPRKCAJKCJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1cccc(Nc2nc(Nc3cccc(C(=O)NO)c3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKIRCQKPMQXPY-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBXIAFAILGLAI-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Nc2ncc(C)c(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKNOJMSNZWUJNV-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNICCPHRPZNOC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHYZZHYKVZPXCQ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYVYDOHLJAWOLY-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1Nc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXNVSRWRFTGBP-UHFFFAOYSA-N", "SMILES:CCCN(N)C(=O)c1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)ncc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXSRXIVXXGEOIQ-RNJOSEPFSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)C(=O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5432366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQMPCOCRFCCCNZ-WUCRNPQGSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5396448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIAUTVVHCWCQLC-UYJJFBRUSA-N", "SMILES:C/C1=C\\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(O)[C@H](O)[C@@H](C)/C=C/C(C)(C)C(=O)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZBOHJWJQKTIP-GYAOFXPZSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)C(=O)CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLAYVOSMBSWSF-WUCRNPQGSA-N", "SMILES:CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)C(=O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5399769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHPFLGFCKKCWKG-QWRFVLAXSA-N", "SMILES:CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5399609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRATAXVAHBMMQ-UEFRGJTFSA-N", "SMILES:CC(=O)O[C@]12C[C@@H](C)[C@H](O)[C@@H]1[C@H]1O[C@]1(C)[C@H](O)C[C@H]1[C@@H](/C=C(\\C)C2=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXYZWRLZYABQX-HRSYPECUSA-N", "SMILES:CC(=O)O[C@]12C[C@@H](C)[C@H](O)[C@@H]1/C=C(\\C)[C@H](O)C[C@@H]1[C@@H](/C=C(\\C)C2=O)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5435234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJLGIRFASVKEPU-MPHUMSJBSA-N", "SMILES:CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\\C)[C@H](O)C[C@H]1[C@@H](/C=C(\\C)C2=O)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHOKWTDLGPRTOY-SMQDZMEVSA-N", "SMILES:COC(=O)CCC(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVWCGFQTAFKQBI-DWBQKEMDSA-N", "SMILES:CCC/C=C\\C=C\\C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5428101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXYZWRLZYABQX-MWTJINLASA-N", "SMILES:CC(=O)O[C@]12C[C@@H](C)[C@H](O)[C@@H]1/C=C(\\C)[C@H](O)C[C@H]1[C@@H](/C=C(\\C)C2=O)C1(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5432246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVHEEHTXDGSFH-LMOVPXPDSA-N", "SMILES:Cl.c1ccc(Cn2ccc3c(N[C@H]4CCNC4)nc4ccccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAICHLAEWPCLLB-LMOVPXPDSA-N", "SMILES:Cl.Fc1cccc(Cn2ccc3c(N[C@H]4CCNC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYNOFSUGVAHJZ-LMOVPXPDSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(N[C@H]4CCNC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOYNOFSUGVAHJZ-UNTBIKODSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(N[C@@H]4CCNC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKKHJXMXNJDIMO-LMOVPXPDSA-N", "SMILES:Brc1cccc(Cn2ccc3c(N[C@H]4CCNC4)nc4ccccc4c32)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFHMDMMKGVCFL-LMOVPXPDSA-N", "SMILES:COc1cccc(Cn2ccc3c(N[C@H]4CCNC4)nc4ccccc4c32)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXOYXYHMMMZHQB-GMUIIQOCSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(NC[C@H]4CCCN4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXOYXYHMMMZHQB-FERBBOLQSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(NC[C@@H]4CCCN4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNDCLYNVBQDIY-LMOVPXPDSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(NC[C@H]4CCNC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNDCLYNVBQDIY-UNTBIKODSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(NC[C@@H]4CCNC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEHFUXPKCCFZIL-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFQYKRDTVNDJCX-LMOVPXPDSA-N", "SMILES:Cl.NC[C@@H]1CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDWAMLKIRMRHCL-UHFFFAOYSA-N", "SMILES:CNC1CN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDISDISQIKKSI-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(N4CCNCC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VECDLFJQNBIHFO-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(N4CCCNCC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWECAOLUFXZCIG-JAXOOIEVSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(N4C[C@H]5C[C@@H]4CN5)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZIZIVGHUPSZJO-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2nc3ccccc3c3c2ccn3Cc2cccc(Cl)c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEOLFDAVHPPSTO-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(N4CC5(CCNC5)C4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFIKTWODJIOROT-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(N4CC5(CNC5)C4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVVQWHRJGWEGOP-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(C4=CCNCC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDEHFLKOUAUOGE-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(C4CCNCC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMEOBWVPBPYQDI-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(Cn2ccc3c(CN4CCNCC4)nc4ccccc4c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAXHBLNPGSMCDE-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(CNc2cc(N3CCNCC3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPKMIFPCPODRY-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(CNc2ccnc(N3CCNCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTIKLACDAWVQKE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1csc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIMJAZMQMKQRKG-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccccn4)n3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUMBBAWWDNRFS-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2ccc(Cn3nnnc3-c3ccccn3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVLPDLCENUSAG-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccccn4)n3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYHWRKMVMTOPM-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2cnc(Cn3nnc(-c4ccccn4)n3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBULMIIXUVLONS-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2nnc(C(F)F)o2)cc(F)c1Cn1nnc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFKTDUVNYRFNI-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccnc4)n3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHICSIFCSRFEB-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccccc4)n3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDKMTAYROAHHCK-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccccc4Cl)n3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNVCYLAKDWTHNK-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(Cl)c4)n3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZOMYJFITHDCJY-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccc(Cl)cc4)n3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZZZGZGZGBKPB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXKGWSCKVDDBX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVSECRBBVXPCQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCC(Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPHDDRTCZOXBI-UHFFFAOYSA-N", "SMILES:FC(F)c1nnc(-c2cnc(NC3(c4ccccc4)CCC(F)(F)CC3)nc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQUAUUSNYAUZIJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2csc(-c3nnn(Cc4ccc(-c5nnc(C(F)(F)F)o5)cc4)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEYJVHCSFWWHE-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2csc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)n3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJRUEPOHNBXBZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(F)c(Cn2nnc(-c3ccccn3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLLWOOONQPPPR-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2csc(-c3nnn(Cc4ccc(C(=O)NO)cc4)n3)c2)c1"]}
{"name": "ETS domain-containing protein Elk-3", "xref": ["CHEMBL.TARGET:CHEMBL1741184"], "id": "UniProtKB:P41970", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Beta-arrestin-1", "xref": ["CHEMBL.TARGET:CHEMBL1795088"], "id": "UniProtKB:P49407", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VERCIXYLISRXKH-HRKWZSCTSA-N", "SMILES:Cl.NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccc(C(=O)NCc3ccccc3)cc2N(Cc2ccc(-c3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRVZLDLOJJURKQ-MGXPCBRFSA-N", "SMILES:Cl.NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccc(C(=O)NCCCc3ccccc3)cc2N(Cc2ccc(-c3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKYTAWPPVLSAJ-LHSXHHQOSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1ccc2c(c1)N(Cc1ccc(-c3ccccc3)cc1)C(=O)N(CCCCN)N=C2/C=C/c1ccc(O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNFZTVEWIJGIE-KKNNLOHISA-N", "SMILES:Cl.NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccc(C(=O)NCC(c3ccccc3)c3ccccc3)cc2N(Cc2ccc(-c3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUXZXNKXAVCIY-LHSXHHQOSA-N", "SMILES:COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3cc(C(=O)NCc4ccccc4)ccc32)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYSHBAOMKZNXAL-LHSXHHQOSA-N", "SMILES:COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3cc(C(=O)NCCOc4ccccc4)ccc32)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKQSEIQCRNCND-PQAWYCKWSA-N", "SMILES:COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3cc(C(=O)NCCCc4ccccc4)ccc32)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXWMXPCEYFOCGR-UHFFFAOYSA-N", "SMILES:Cl.NCCCCN1N=C(CCc2ccc(O)cc2)c2ccc(C(=O)NCCOc3ccccc3)cc2N(Cc2ccc(-c3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJZBJSKRCTGHO-UHFFFAOYSA-N", "SMILES:Cl.NCCCCN1N=C(CCc2ccc(O)cc2)c2ccc(C(=O)NCCCc3ccccc3)cc2N(Cc2ccc(-c3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFLWELYLLSFGF-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1ccc2c(c1)N(Cc1ccc(-c3ccccc3)cc1)C(=O)N(CCCCN)N=C2CCc1ccc(O)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHYBZAPEXNCLR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1OC)N=C(NC(=O)c1ccc(N)nc1)N1CCN=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWAYXCQNGYCPDU-UHFFFAOYSA-N", "SMILES:COc1c(OCc2cccc([N+](=O)[O-])c2)ccc2c1N=C(NC(=O)c1ccc(N)nc1)N1CCN=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFNCFGWKXFOXPA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc5ccccc5c4)c3)nc(N3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1509948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGFJUJYZUHPKN-UHFFFAOYSA-N", "SMILES:CC(C)CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2nccnc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDCZHRQYLSTDNY-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMFQCQXBXONCCF-UHFFFAOYSA-N", "SMILES:COc1ccc(CCn2c(SCC(=O)Nc3ccccc3)nc3nccnc3c2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1476614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJWWFZRBNRADJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1c[nH]c2ccccc12)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZTGUIKAZPUBHY-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBAENJHJJKGKB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDUVWAKXONOMDD-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVOEYCSPJKCPJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYMPQVLQNKOPC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCERFZIGIGAWRH-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1ncco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANHMCIKPOJARRV-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHJAEZGAIPGGH-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)NC1=NCCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHNKXWOQZBYFG-UHFFFAOYSA-N", "SMILES:O=c1c2nccnc2nc(SCc2nc3ccccc3o2)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFUVOCACPUFODX-UHFFFAOYSA-N", "SMILES:O=c1c2nccnc2nc(SCc2nc3ccccc3s2)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGNERVBJHVVGW-UHFFFAOYSA-N", "SMILES:O=c1c2nccnc2nc(SCc2nc3ccccc3[nH]2)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTIZDJTCHYVDE-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1-c1ccccc1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GELVKGWQCBQDIV-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1Cc1ccccc1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOEKPBSULYOJRV-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCCc1ccccc1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRWBBDJKEJTGRH-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1C1Cc2ccccc2C1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJCTGOTUVINFW-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1C1CCc2ccccc21)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNSCUNCJAAJFJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1C1CC1c1ccccc1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QROLBQOBNAFCLM-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCC1CCCCC1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHDLQWIWWOGXGG-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccc(O)cc1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDDTRAYXWYLQH-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1cccc(F)c1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPOYZLPDLOXAL-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1cccs1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKBMQBEGFDFNA-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1cccc(C(F)(F)F)c1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLKISCCKOJFMAU-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ncccc2c(=O)n1CCc1ccccc1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSNLOGQYJDDSJO-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cccnc2c(=O)n1CCc1ccccc1)Nc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHJTNHRSISOKU-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nc(-c2ccsc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPNSKVAKUJWMI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc(NC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCFUWVJKQRUAS-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nc(-c2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGFKXOAELIKDF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2csc(NC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYLCFSUBYDFRN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2csc(NC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPIKTNYUOIDKHW-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nc(-c2ccc(OC(F)F)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPWZZHNCABTUGN-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nc(-c2cccc(O)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHMMCFZSSKKSHZ-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2csc(NC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQUVBPXCXCKORU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2csc(NC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXXKUOJUMOVSPW-UHFFFAOYSA-N", "SMILES:CN(c1cccc(-c2csc(NC(=O)CSc3nc4nccnc4c(=O)n3CCc3ccccc3)n2)c1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTBZEAPTEYKBRE-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1csc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYZCTUKTTWNCF-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)n1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCHVNTRFVUZRKM-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)n1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKUFCZHHEWWOCW-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)n1)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYWVLDZTGPOAW-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)n1)NCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSLTJBWWIZIAO-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)n1)NCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBXQHPRLMAYBJC-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)Cc1csc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSWEIGQRROHHJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nc(CC(=O)N2CCc3ccccc3C2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMMLQYBXLJCPCK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nc(CC(=O)NC2(c3ccccc3)CC2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTMIBBOCLJONAM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(-c3cccc(S(=O)(=O)N(C)C)c3)c[nH]c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWLYDRPVHZEGMX-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1cccc(-c2c[nH]c3cnc(NC(=O)C4CC4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLPIVHFIHIBJHH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(-c3cccc(S(=O)(=O)N(C)C)c3)cn(C)c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIZRLVOFNUVLSK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(-c3cccc(S(=O)(=O)N(C)C)n3)cn(C)c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHJPSFDAARAJFA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1cccc(-c2cn(C)c3cnc(NC(C)=O)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNGKVUXNMWIGS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(-c3cccc(S(=O)(=O)C4COC4)n3)cn(C)c2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKKYEYMOMQIPLG-FQEVSTJZSA-N", "SMILES:CO[C@@]1(c2cccc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKKYEYMOMQIPLG-HXUWFJFHSA-N", "SMILES:CO[C@]1(c2cccc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFKCADAEOIHNK-IBGZPJMESA-N", "SMILES:CO[C@@]1(c2cccc(-c3cn(C)c4cnc(NC(N)=O)cc34)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXAXZSWHTKOAJC-IRLDBZIGSA-N", "SMILES:CO[C@@]1(c2cc(C#N)cc(-c3cn([C@@H]4CC4(F)F)c4cnc(NC(C)=O)cc34)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZUOTWJOJWISE-QFIPXVFZSA-N", "SMILES:CO[C@@]1(c2cc(OCC#N)cc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTGYLZKYSOWEF-NRFANRHFSA-N", "SMILES:CO[C@@]1(c2cc(C(F)F)cc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYSXBAULYGNGFX-QHCPKHFHSA-N", "SMILES:COc1cc(-c2cn(C3COC3)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXVAJXOVPCLSSK-NRFANRHFSA-N", "SMILES:CO[C@@]1(c2cc(OC(F)F)cc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFXZSGAQDJMGT-QHCPKHFHSA-N", "SMILES:COCCOc1cc(-c2cn(C)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXKSTKFOCDTPI-DEOSSOPVSA-N", "SMILES:COCc1cc(-c2cn(C3COC3)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUXHACNAFHQYGS-MYYSRTQBSA-N", "SMILES:CO[C@@]1(c2cc(OCC[C@@H](C)O)cc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVKUQMHEUSBQNA-OWJWWREXSA-N", "SMILES:CO[C@@]1(c2cc(O[C@@H](C)CCO)cc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJMYSBXBAJXCF-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2sccc2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWRZERPYSMCDSD-JTQLQIEISA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2nnc3sccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBFPKIGGIVZAU-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2sccc2c1=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWIZMMTQXXUNG-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1nnc2sccc2c1=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDUXHSNWVHSQF-NSHDSACASA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2nnc3sccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPDNGRLWZCEFA-NSHDSACASA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2ncc3sccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQFZBWXNWZDPH-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKYUPJIVBJONG-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKRXSSGYHOLPAB-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGXOHGUWWCVPV-LBPRGKRZSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2ncc3sccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GADOAYWDSWSSDO-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXVKNMLURMSAFK-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXTUQZXBPQURBX-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUHANXYDUAGJBK-AWEZNQCLSA-N", "SMILES:CC[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARYPQIKXZXEOBL-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLXTNMOGYITDA-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOFIYANYINOHFS-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGBRJQTCNCDEP-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVJZYAJJOZIRCM-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHVAMXPHNBMGZ-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEQBCELXVMLRAS-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQMXCNBDSQRWKO-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJZUMXBCGFBCJR-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(Cl)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABBGDXLNJJSDLT-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YALOWSVPGALMHC-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKAINNQNGPFWNM-LBPRGKRZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2ncc3cccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLYGUACXVTUPR-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSSYMKWVWLCJN-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHRSGWKGRDMXOV-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEAKJGHVJCSAN-ZDUSSCGKSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2ncc3cccn3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBDFWCYDNHXBV-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNPXRILXGNBJHW-LBPRGKRZSA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPUJFHXBRABGV-HNNXBMFYSA-N", "SMILES:CC[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBGHLOBRAQGSR-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCIKDSJYSZMRTO-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLJYZQLFONTDY-KRWDZBQOSA-N", "SMILES:CC(C)[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLMPCYAXPIEYPK-LBPRGKRZSA-N", "SMILES:Cc1ccc2cnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJYHWYQXJVLEFX-ZDUSSCGKSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2ncc3ccc(C)n3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIQAIADIDVQLEC-LBPRGKRZSA-N", "SMILES:Cc1ccc2cnn(CC(=O)N[C@@H](C)c3ccc(F)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBMTVEQKJNHAPN-LBPRGKRZSA-N", "SMILES:Cc1ccc2cnn(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRBRJZLTARKTCD-LBPRGKRZSA-N", "SMILES:Cc1ccc2cnn(CC(=O)N[C@@H](C)c3ccc(Br)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZBEUUMGJILIG-AWEZNQCLSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2ncc3ccc(C)n3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIFMZKJWMOSHHH-LBPRGKRZSA-N", "SMILES:Cc1ccc2cnn(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKCKYKMOHLANBC-ZDUSSCGKSA-N", "SMILES:Cc1ccc2cnn(CC(=O)N[C@@H](C)c3ccccc3)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELASXRBONIGRR-INIZCTEOSA-N", "SMILES:CC[C@H](NC(=O)Cn1ncc2ccc(C)n2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDBZDVHRXDPZFM-HNNXBMFYSA-N", "SMILES:Cc1ccc2cnn(CC(=O)N[C@@H](C)c3cccc4ccccc34)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMQCTLBOAEIOF-SFHVURJKSA-N", "SMILES:Cc1ccc2cnn(CC(=O)N[C@H](c3ccc(F)cc3)C(C)C)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFVQOHQXXVMHSU-SFHVURJKSA-N", "SMILES:Cc1ccc2cnn(CC(=O)N[C@H](c3ccc(C(F)(F)F)cc3)C(C)C)c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBPOVZFQNCQGW-ZDUSSCGKSA-N", "SMILES:Cc1cc(C)n2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLOQTLGXLCHMFH-AWEZNQCLSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)Cn2ncc3c(C)cc(C)n3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFVCDLMILPDWOY-ZDUSSCGKSA-N", "SMILES:Cc1cc(C)n2c(=O)n(CC(=O)N[C@@H](C)c3ccc(F)cc3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAACKHNRJBYSAU-ZDUSSCGKSA-N", "SMILES:Cc1cc(C)n2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBXCVPHCPDGTCT-HNNXBMFYSA-N", "SMILES:Cc1ccc([C@H](C)NC(=O)Cn2ncc3c(C)cc(C)n3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXHHAKMJDJOBAG-AWEZNQCLSA-N", "SMILES:Cc1cc(C)n2c(=O)n(CC(=O)N[C@@H](C)c3ccccc3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCZGYLDFRNIMLH-JTQLQIEISA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGDQGNBYQRDAB-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAHSZWJCEMEZDP-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cc(NC(=S)NC(C)C)c(F)cc2Br)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRUTWSXZJFFDR-UHFFFAOYSA-N", "SMILES:C=CCNC(=S)Nc1cc(C(=O)Nc2ccc(F)c(C)c2)c(C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJFLWMJUJJROI-IBGZPJMESA-N", "SMILES:CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=N[C@H]1c1ccc(C)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDDDZFQZKDRBJ-UHFFFAOYSA-N", "SMILES:Cn1cncc1C1=CN(c2ncnc3[nH]cnc23)CCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKLGDFMOCQVDTN-UHFFFAOYSA-N", "SMILES:Cn1cncc1C1=CN(c2ncnc3[nH]c(=O)[nH]c23)CCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNMXSKJZWOKSJ-UHFFFAOYSA-N", "SMILES:Cn1cnc(Br)c1C1=CN(c2ncnc3[nH]cnc23)CCS1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJDTAHNIFCCHB-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3nccs3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUSZBDWOAZEBV-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTYRAXKJQKLKLY-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGFTWORQFUMEPZ-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXHFHBGNMSWMO-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDFDZDTXGPNIC-UHFFFAOYSA-N", "SMILES:CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFQCDJUMPFXNS-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRSQDMHWPHEMQ-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWWPFIBJGBBKX-UHFFFAOYSA-N", "SMILES:CC(C)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQEBXSGIXPJSTM-UHFFFAOYSA-N", "SMILES:CCC(C)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLDYOMRJCIUSIG-UHFFFAOYSA-N", "SMILES:CCCCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTKBXXGVXWHMHX-UHFFFAOYSA-N", "SMILES:CC(C)CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJSXTFVMGSHIQP-UHFFFAOYSA-N", "SMILES:CCC(C)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXCQZQWHUTWSY-UHFFFAOYSA-N", "SMILES:CCC(CC)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWPLYZVUBCMHN-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJFGTXAAKCLIOI-UHFFFAOYSA-N", "SMILES:CC(C)C(C)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNUBZGFNRGYRML-UHFFFAOYSA-N", "SMILES:C=CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFHZCQTMDLDRK-UHFFFAOYSA-N", "SMILES:CC(C)=CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANHPXHADBZWEH-UHFFFAOYSA-N", "SMILES:C#CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVVGCLUTJOAUON-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VREYQMOSHXUIOX-UHFFFAOYSA-N", "SMILES:COCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTMPMXJFMOUCOQ-UHFFFAOYSA-N", "SMILES:COC(=O)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBJGLDKVXLKVPI-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRPQZLVMAZBVEH-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POPCEFBMGMRZJG-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMJHIXVSXIAXBU-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F)N1CCN(C2CCCC2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICCKZPDRHVIJH-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOXYDHZDFTFMX-UHFFFAOYSA-N", "SMILES:CC(C1CCCC1)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDTRERMWZQTLRS-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F)N1CCN(C2CCCCC2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLOXTGVMSYKHN-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADAAOWJCZJSQAB-UHFFFAOYSA-N", "SMILES:CC(C1CCCCC1)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYRIAKSKBQPQX-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQDBDMQKROGGR-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F)N1CCN(c2ccccc2)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPDADPDWVTOEC-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F)N1CC(=O)N2CCCC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWZUMYLDUPVRN-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F)N1CC(=O)N2CCCCC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBKQJEOJZXXHOE-UHFFFAOYSA-M", "SMILES:CCC(CC)N1CCN(C(=O)c2cc(Cn3c(=O)[n-]c(=O)c4ccccc43)ccc2F)CC1=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPGTXAUDXWCGFI-OEHZVWPTSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSNQJZJCKAFSHT-XHTGAUGHSA-N", "SMILES:CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBULXGWCOWTMLE-PHJSPYNASA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL507938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLAYQQKWJGHBV-XJZMHMBSSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(=O)O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COIQELXBZKJTQE-KZYBZABDSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC.CCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVGPBVPBRHMVEH-KZYBZABDSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC.CCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYCJYBYINXZVEF-IQZNFALRSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](COP(=O)(O)O)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC.CCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLZJHQACIRPJU-MBXISCNBSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(=O)O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC.CCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWWZZGWWRAFTN-MBXISCNBSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(=O)O)O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC.CCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKOMKJKXSGOEG-WESWSVJHSA-N", "SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H](COP(=O)(O)O)[C@@H](CO)O[C@@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(=O)O)[C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC.CCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBXJSPVZIPJMX-IAGOWNOFSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CNC[C@H](F)C3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBXJSPVZIPJMX-SJORKVTESA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNC[C@H](F)C3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYEBWRQMQJIYTL-QZTJIDSGSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCC[C@H]3F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBLDXPHKCNGET-GOSISDBHSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCCC3(F)F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMOGDZRMJREBT-LPHOPBHVSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CC[C@@H](C(F)(F)F)NC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAVXKPAYKQWSMQ-QGZVFWFLSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CCCNC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAVXKPAYKQWSMQ-KRWDZBQOSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CCCNC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHGSSKZEUPLOP-UHFFFAOYSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC3CCNCC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUHMZCRPMQXRPT-MRXNPFEDSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CCNC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUHMZCRPMQXRPT-INIZCTEOSA-N", "SMILES:CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CCNC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKJBMFEUFULOX-GOSISDBHSA-N", "SMILES:O=C(Cc1cccc(Oc2ccccc2)c1)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMCXTWYQJBJKRJ-CQSZACIVSA-N", "SMILES:O=C(Cc1cccc(C(=O)O)c1)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLVBXVBDXYWSPK-QGZVFWFLSA-N", "SMILES:CC(C)OC(=O)c1cccc(CC(=O)Nc2nnc(N[C@@H]3CCN(c4cccnn4)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIXCQZNBIBHKU-UHFFFAOYSA-N", "SMILES:CN(Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2ccccc12)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTCVDVMTUCELSN-UHFFFAOYSA-N", "SMILES:C#Cc1ccnc2c1c(C1CN(C(=O)C=C)C1)nn2-c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVIHDIFRRBKOFL-UHFFFAOYSA-N", "SMILES:C=C(Cl)C(=O)NCc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEOCPIYXWADHD-UHFFFAOYSA-N", "SMILES:C#CC(=O)NCc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FATYKAPPXHGOKR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(c2nn(-c3ccc(OC(F)(F)F)cc3)c3nccc(CO)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGMINCKHGEJQA-OWOJBTEDSA-N", "SMILES:O=C(/C=C/CO)N1CC(c2nn(-c3ccc(OC(F)(F)F)cc3)c3nccc(Cl)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNVQLDIPUXYDH-ZPKKHLQPSA-N", "SMILES:CC(C)C(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1n1cc(-c2ccccc2)nn1"]}
{"name": "Hemagglutinin-neuraminidase", "xref": ["CHEMBL.TARGET:CHEMBL1764934"], "id": "UniProtKB:Q06992", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:12730"]}
{"id": "CHEMBL.COMPOUND:CHEMBL514002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVSNIYQERCVHL-CNYIRLTGSA-N", "SMILES:CC(C)C(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4300492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUXWAWZBBXVBSX-IHWGESPNSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NS(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSNWCMRMKQSJCA-PWRGDLIESA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@H]2C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4794921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQQRRPARAHFHIA-LRGKAINGSA-N", "SMILES:[N-]=[N+]=N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4753314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFKZKDOBWVGERZ-LRGKAINGSA-N", "SMILES:[N-]=[N+]=N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRGUWHIIMYKKDV-PWRGDLIESA-N", "SMILES:Cc1ccc(C(=O)N[C@H]2C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(=O)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WITQTNPJVVCPTE-LRGKAINGSA-N", "SMILES:O=C(O)C1=C[C@H](NC(=O)C(F)(F)F)[C@@H](NC(=O)C(F)(F)F)[C@H]([C@H](O)[C@H](O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOHGKRIOMISXIZ-CNYIRLTGSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAKHZORQUVEMQ-FVDCJOIDSA-N", "SMILES:CS(=O)(=O)N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVGPZJWQOSYBT-LRGKAINGSA-N", "SMILES:O=C(O)C1=C[C@H](NS(=O)(=O)C(F)(F)F)[C@@H](NC(=O)C(F)(F)F)[C@H]([C@H](O)[C@H](O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFYAMMPUKCKUOX-NRFQWKTPSA-N", "SMILES:O=C(O)C1=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](NC(=O)C(F)(F)F)[C@H]([C@H](O)[C@H](O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATJMREDCOHIEFK-PWRGDLIESA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@H]2C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(=O)C(F)(F)C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISSUMNVZEFBKLJ-UFGQHTETSA-N", "SMILES:CC(=O)N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPOBHQQICKIHQ-NRFQWKTPSA-N", "SMILES:O=C(O)C1=C[C@H](NC(=O)c2ccccc2)[C@@H](NC(=O)C(F)(F)F)[C@H]([C@H](O)[C@H](O)CO)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPUFJDKNODJQI-IHWGESPNSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACJFKOYGMVMHE-UFGQHTETSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1N=[N+]=[N-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVYHYVKQDOZBNP-LRGKAINGSA-N", "SMILES:[N-]=[N+]=N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)C(F)(F)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYAWOJHYSOVGV-NDHSLDTFSA-N", "SMILES:COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(-c4csc([C@H](C)O)n4)c(C(C)C)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHIUJFOVZMQBS-DBUHLAJNSA-N", "SMILES:CC(C)c1cc2c(cc1-c1csc([C@H](C)O)n1)[C@@]1(C)CCC[C@@](C)(C(N)=O)[C@@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHHGQOYNOHLOHI-NQHRYMMQSA-N", "SMILES:CC(=O)c1nc(-c2cc3c(cc2C(C)C)CC[C@H]2[C@](C)(C(N)=O)CCC[C@]32C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIIFBFGEWSCKCH-XSBVVTFOSA-N", "SMILES:COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(-c4csc(COC(C)=O)n4)c(C(C)C)cc3CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOGVZNHABAZGU-QLBJFCOMSA-N", "SMILES:COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(-c4csc(C)n4)c(C(C)C)cc3C(=O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZXHJGDTTJPWHD-IRXDYDNUSA-N", "SMILES:CCCCCCC[C@@H]1C(=O)O[C@H]1CCc1ccc(OC)c(OC)c1"]}
{"name": "Phosphatidylserine lipase ABHD16A", "xref": ["CHEMBL.TARGET:CHEMBL6168"], "id": "UniProtKB:O95870", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGJXSNEWTZSRG-MUJYYYPQSA-N", "SMILES:O=S(=O)(c1ccc(OC(F)F)cc1)N1[C@@H]2CC[C@H]1C[C@@H](NCC1(O)CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGUBQWAIKUDTCE-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(OC(F)F)cc1)N1C2CCC1CC(NCC1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNGPAQAJTUAJA-FVQHAEBGSA-N", "SMILES:CC1CCN([C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccc(OC(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTHOGIVSMJFHD-UHFFFAOYSA-N", "SMILES:CC12CC(NC3CC4CCC(C3)N4S(=O)(=O)c3ccc(OC(F)F)cc3)(CO1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRCPSBWYWSWPLA-MUJYYYPQSA-N", "SMILES:Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](CN2CCOCC2)C3)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZHKMDDWGOXMPM-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(OC(F)F)cc1)N1C2CCC1CC(NC1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQXQPVYMNGXDAP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(OCCN(CC(O)(Cn3cncn3)c3ccc(F)cc3F)S(=O)(=O)c3ccc(Cl)cc3Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOSONRWHCKUDU-GJZGRUSLSA-N", "SMILES:Cc1cc(N)nc(-c2c(Cl)cc3c(N4CCNC[C@@H]4C)nc(OC[C@@H]4CCCN4C)nc3c2F)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNGXLRURAEBSY-GPANFISMSA-N", "SMILES:Cc1cc(N)nc(-c2c(Cl)cc3c(N4CC5CCC(C4)N5)nc(OC[C@@H]4CCCN4C)nc3c2F)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBRWUXUKKXNIII-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc(-c2c(Cl)cc3c(N4CC5CCC(C4)N5)nc(OCC45CCCN4CCC5)nc3c2F)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODMLRHFGATDGU-OGBBLICMSA-N", "SMILES:Cc1cc(N)nc(-c2c(Cl)cc3c(N4CC5CCC(C4)N5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLRHCXAMJKMTNK-RMIANRRMSA-N", "SMILES:Nc1cc2ccccc2c(-c2c(Cl)cc3c(N4CC5CCC(C4)N5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDXJKYVKDPEOE-XWRDYELXSA-N", "SMILES:Nc1cc2cccc(F)c2c(-c2c(Cl)cc3c(N4CC5CCC(C4)N5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDXLEIDIYQSYQN-KGICCARTSA-N", "SMILES:Nc1nc2c(-c3c(Cl)cc4c(N5CC6CCC(C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)ccc(F)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYNHHRPTHNSBEK-LDKIVBMGSA-N", "SMILES:N#Cc1c(N)sc2c(F)ccc(-c3c(Cl)cc4c(N5CC6CCC(C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMLHSFZRIGKJK-ZYCIAXEGSA-N", "SMILES:N#Cc1c(N)sc2c(F)ccc(-c3cc4nc(OC[C@@]56CCCN5C[C@H](F)C6)nc(N5CC6CCC(C5)N6)c4cc3Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOBLOMMNBGNDQN-GPANFISMSA-N", "SMILES:CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3)c2cc(Cl)c(-c3ccc(F)c4sc(N)c(C#N)c34)c(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHGQLRXLQMZVKX-WWDZGPRUSA-N", "SMILES:N#Cc1c(N)sc2c(F)ccc(-c3c(Cl)cc4c(N5CC6CCC(C5)N6)nc(OCC5(CN6CC[C@@H](F)C6)CC5)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACCLGJZAPCQNN-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)sc2c(F)ccc(-c3c(Cl)cc4c(N5CC6CCC(C5)N6)ncnc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFVWCOMHUKVKIB-LDKIVBMGSA-N", "SMILES:N#Cc1c(N)sc2c(F)ccc(-c3c(C(F)(F)F)cc4c(N5CC6CCC(C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274064", "category": ["biolink:ChemicalEntity"], "name": "SB-220025", "xref": ["InChIKey:VSPFURGQAYMVAN-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSDBMVHAKWDRK-UHFFFAOYSA-N", "SMILES:Clc1cc2cc(c1)-c1cnn3ccc(nc13)NCCOCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVIXRYHDRVNLRY-UHFFFAOYSA-N", "SMILES:c1cc2cc(n1)NCCOCCNc1ccn3ncc-2c3n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIIYBZHRYXJCHR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255898", "category": ["biolink:ChemicalEntity"], "name": "BARETTIN", "xref": ["InChIKey:YYFNNPXWRXQUPR-JVXNRYDGSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5410810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBURXAMRGUFNDQ-BRILYTQSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(/N=N/c3ccccc3)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEHDKLYMJUVMQ-RIXUEBMYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(/N=N/c3ccccc3)cc2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHQYVGSJPKBHP-JAVQEHHYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCc2ccc(/N=N/c3ccc(C(=O)NCC(N)=O)cc3)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNITNPBHDMYOA-NLTRZSEQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCc2ccc(/N=N/c3ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc3)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBURXAMRGUFNDQ-SLWFVIGUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(/N=N\\c3ccccc3)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEHDKLYMJUVMQ-QDRAISBUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(/N=N\\c3ccccc3)cc2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHQYVGSJPKBHP-MPRTYJPKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCc2ccc(/N=N\\c3ccc(C(=O)NCC(N)=O)cc3)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNITNPBHDMYOA-IIIKPVBKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCc2ccc(/N=N\\c3ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc3)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENYJBNYNBUBSV-TWINBAIPSA-N", "SMILES:NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(/N=N/c3ccccc3)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENYJBNYNBUBSV-JFGZPOIZSA-N", "SMILES:NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(/N=N\\c3ccccc3)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMFZBUGRWCFIJ-PBMMLTOBSA-N", "SMILES:NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCc2ccc(/N=N/c3ccc(C(=O)NCC(N)=O)cc3)cc2)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSXPTSWKVFPNTA-ILWQPVQZSA-N", "SMILES:NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCc2ccc(/N=N/c3ccc(C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)cc3)cc2)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMFZBUGRWCFIJ-XSLXYKFTSA-N", "SMILES:NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCc2ccc(/N=N\\c3ccc(C(=O)NCC(N)=O)cc3)cc2)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSXPTSWKVFPNTA-CQSIMBTHSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccc(/N=N\\c2ccc(CNC(=O)[C@@H]3CSSC[C@H](N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N3)cc2)cc1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPWQYTFTPUQUNX-ZLKSCKPSSA-N", "SMILES:NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2/N=N/c2ccccc2C(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPWQYTFTPUQUNX-GXFTVCELSA-N", "SMILES:NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2/N=N\\c2ccccc2C(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYOYTNYRWWVDR-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2cc1OCCOCCOCCOCCOc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYPPQWAQRJOMMO-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2cc1OCCOCCOCCOCCOCCOCCOc1cc2ccccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSIMIMHIPCVPB-UHFFFAOYSA-N", "SMILES:Nc1cc(OCCOCCOc2cc(N)nc3ccccc23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWRWNEALHCZIKM-UHFFFAOYSA-N", "SMILES:Nc1cc(OCCOCCOCCOCCOCCOCCOc2cc(N)nc3ccccc23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAAWFZAMZGNKQF-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCOCCOc3cccc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOABSKFRLPZLFB-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCOCCOCCOCCOc3cccc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJJRHRYSZFDUFS-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCOCCOCCOCCOCCOCCOc3cccc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBLYTXPIBIQFQ-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCOc3ccc4nc(N)ccc4c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUVMQFGFCNPCHX-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCOCCOCCOCCOCCOc3ccc4nc(N)ccc4c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEUMFBLIZRFUKY-UHFFFAOYSA-N", "SMILES:Nc1ccc2ccc(OCCOCCOc3ccc4ccc(N)nc4c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKXBCALRLNDYJV-UHFFFAOYSA-N", "SMILES:Nc1ccc2ccc(OCCOCCOCCOCCOc3ccc4ccc(N)nc4c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLOHJOZEFZYCNO-UHFFFAOYSA-N", "SMILES:Nc1ccc2ccc(OCCOCCOCCOCCOCCOCCOc3ccc4ccc(N)nc4c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNPLRVDCBVSSQ-UHFFFAOYSA-N", "SMILES:Nc1ccc2cccc(OCCOCCOc3cccc4ccc(N)nc34)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNOUVGFDXKZVEY-UHFFFAOYSA-N", "SMILES:Nc1ccc2cccc(OCCOCCOCCOCCOc3cccc4ccc(N)nc34)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQDACEYGYYZBID-UHFFFAOYSA-N", "SMILES:Nc1ccc2cccc(OCCOCCOCCOCCOCCOCCOc3cccc4ccc(N)nc34)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCZHRGUEXXVNTI-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCOCCOCCOc3cccc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCRODQYLJHMEJO-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCCCCOc3cccc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGOSCGUPSZLNPQ-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCNCCOc3cccc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHILTZOLODVHH-UHFFFAOYSA-N", "SMILES:CN(CCOc1cccc2nc(N)ccc12)CCOc1cccc2nc(N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQFOUYTSVRFSL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(CCOc2cccc3nc(N)ccc23)CCOc2cccc3nc(N)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSDQVXZSFBAJGR-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCN(CCOc3cccc4nc(N)ccc34)c3ccccc3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAOADXBRZSHILL-UHFFFAOYSA-N", "SMILES:Nc1cc(OCCn2cc(COc3cc(N)nc4ccccc34)nn2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBUMFZCQRMHQLV-UHFFFAOYSA-N", "SMILES:Nc1cc(OCCOCCn2cc(COc3cc(N)nc4ccccc34)nn2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQHJPXHMNFQPS-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCn3cc(COc4cccc5nc(N)ccc45)nn3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGIUNHYDZWZPTL-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCOCCn3cc(COc4cccc5nc(N)ccc45)nn3)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEXXWWLBONHNDQ-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCn3cc(COc4ccc5nc(N)ccc5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSINOUZCQBUXCJ-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCn3cc(COc4ccc5nc(N)ccc5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMTFJHDKRAEPQM-UHFFFAOYSA-N", "SMILES:Nc1ccc2ccc(OCCn3cc(COc4ccc5ccc(N)nc5c4)nn3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAQFKFWNERULTN-UHFFFAOYSA-N", "SMILES:Nc1ccc2ccc(OCCOCCn3cc(COc4ccc5ccc(N)nc5c4)nn3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFKCTRKFDYAPQ-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCn3cc(COc4cc(N)nc5ccccc45)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXUIRFECSBIQI-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCn3cc(COc4cccc5nc(N)ccc45)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHSGONAOFHAONV-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCn3cc(COc4ccc5ccc(N)nc5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIWXTNLLETUPKQ-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCc3cn(CCOCCOc4cc(N)nc5ccccc45)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMONRHUVLLHORH-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCc3cn(CCOCCOc4cccc5nc(N)ccc45)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPMCAQROUNYOO-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCc3cn(CCOCCOc4ccc5ccc(N)nc5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBXCVOQLFKXMX-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCCn3cc(COc4ccc5nc(N)ccc5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACACLBVANBRSEW-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCCCn3cc(COc4ccc5nc(N)ccc5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFTFMHTVTSIXBA-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCCCCn3cc(COc4ccc5nc(N)ccc5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXKKNHGSTHYRMW-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCOCCn3cc(COc4ccc5nc(N)ccc5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNWRDLFGHOYTKT-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCCc3cn(CCCOc4ccc5nc(N)ccc5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNWMHWTJXNABH-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCCCn3cc(CCOc4ccc5nc(N)ccc5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWWNKYLRNYNSPX-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCc3cn(CCOCCn4cc(COc5ccc6nc(N)ccc6c5)nn4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZCIUESKSHSVHX-UHFFFAOYSA-N", "SMILES:COCc1cn(CCOCCOc2ccc3nc(N)ccc3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDGFSUIOITWOOO-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCNC(=O)COc3ccc4nc(N)ccc4c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYFGGIWYLFRHRW-UHFFFAOYSA-N", "SMILES:CNc1ccc2c(OCCOCCOc3cccc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEPYIPCPLVTHU-UHFFFAOYSA-N", "SMILES:CNc1ccc2c(OCCOCCOc3cccc4nc(NC)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMOLFGUXCROWTD-UHFFFAOYSA-N", "SMILES:CCNc1ccc2c(OCCOCCOc3cccc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIYQWXZEGGEIF-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1ccc2c(OCCOCCOc3cccc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCBMJPCMLNKSF-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCOCCOc3cccc4nc(N)c(F)cc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZCJYOWQFJTNEI-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCOCCOc3cccc4nc(N)c(Br)cc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVQUEULQAWXNT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(OCCOCCOc3cccc4nc(N)ccc34)cccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZPDHKAYOMIDO-UHFFFAOYSA-N", "SMILES:Cc1cc2c(OCCOCCOc3cccc4nc(N)c(C)cc34)cccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPMNPGBGYNQPDQ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc2cccc(OCCOCCOc3cccc4nc(N)ccc34)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNCWZRMVWPQCTC-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc2cccc(OCCOCCOc3cccc4nc(N)cc(C)c34)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPWQHPRCDLPEGT-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCOCCOc3c(F)ccc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LISPLROQCMAGCY-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCOCCOc2cccc3nc(N)ccc23)c2ccc(N)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGZFAUSKFUFLAA-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCOCCOc3cc(-c4ccccc4)cc4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQEYGJVQPHADPK-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(OCCOCCOc3ccc(F)c4nc(N)ccc34)cccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPBAXSQAKLNUAA-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCOCCOc2cccc3nc(N)ccc23)c2ccc(N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJNTVLVVVSVXGV-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(OCCOCCn3cc(COc4ccc5nc(N)c(C)cc5c4)nn3)ccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBGQSGNQSZZZDL-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCc3cn(CCOCCOc4ccc5nc(N)cc(Cl)c5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLVQZKTZLYQFO-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCn3cc(COc4ccc5nc(N)cc(Cl)c5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMOFWBVRCWMAPA-UHFFFAOYSA-N", "SMILES:Nc1cc(Cl)c2cc(OCCOCCn3cc(COc4ccc5nc(N)cc(Cl)c5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XABCIDJNZWYODR-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCc3cn(CCOCCOc4ccc5nc(N)cc(N6CCCCCC6)c5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPRQTSWVENCFLJ-UHFFFAOYSA-N", "SMILES:Nc1ccc2cc(OCCOCCn3cc(COc4ccc5nc(N)cc(N6CCCCCC6)c5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QILDXMYTKPLBIE-UHFFFAOYSA-N", "SMILES:Nc1cc(N2CCCCCC2)c2cc(OCCOCCn3cc(COc4ccc5nc(N)cc(N6CCCCCC6)c5c4)nn3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVSIAOYHEIZRMM-XYVJRHFASA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1CC(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOCOYGMMCQQSA-OTURBBJLSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)c1ccccc1)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJKPSRXYIGPHGN-XUSCSWOFSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZUVCZLEASKZDM-UOTBZETRSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGXPQVTWMHBIBP-BTANPKBMSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccccc1I)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPOYJRKKBFQNHJ-XUSCSWOFSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1cccc(I)c1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMPGSGFXAAVWRZ-XUSCSWOFSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQIISAQTEOPYEE-BTANPKBMSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRQPVJKSBGWDK-XUSCSWOFSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRVIKORCPYDNIN-SAQBFHSKSA-N", "SMILES:COc1ccc(C[C@H](NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C(=O)O)C(=O)N[C@H](C(=O)N2CCC[C@H]2CC(N)=O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QURJZSMYMALAQI-HHULFPPASA-N", "SMILES:CC(C)Cn1cc(-c2ccc(C[C@H](NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C(=O)O)C(=O)N[C@H](C(=O)N3CCC[C@H]3CC(N)=O)C(C)(C)C)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIUGBIXWKZQFCU-OKEDDIKYSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTWPCFBDLCUWSV-OKEDDIKYSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITXQTOBRXFVFDQ-OKEDDIKYSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYVQJZBMOHLPT-MTIPRXJHSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1cccnn1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIDTPXRAUDOAV-MTIPRXJHSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccnnc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFOQFMKQLIELE-OLVKXDOUSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1nccs1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIPAKUGVJEBFC-XYVJRHFASA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJMNIDZURQLKF-ADYBXSNGSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cn1ccnn1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBJKQSUGOMLRU-OPJKSABVSA-N", "SMILES:CC(C)c1cn(C[C@H](NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C(=O)O)C(=O)N[C@H](C(=O)N2CCC[C@H]2CC(N)=O)C(C)(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMIKCWXFMQIZAB-OPJKSABVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cn1cc(C2CC2)nn1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(N)=O"]}
{"name": "Matrilysin", "xref": ["CHEMBL.TARGET:CHEMBL5465303"], "id": "UniProtKB:Q10738", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBLPWEPWFONTID-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(Cc3cc(C)c(O)c(C)c3)c3ccccc32)cc1"]}
{"name": "ALK tyrosine kinase receptor", "xref": ["CHEMBL.TARGET:CHEMBL5771"], "id": "UniProtKB:P97793", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXFFTKFFLWJNAI-UHFFFAOYSA-N", "SMILES:CC1(N2CCC(c3cc4cc(NC(=O)C5CC5)ncc4cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUWBKRNKWPJDOB-NZQKXSOJSA-N", "SMILES:C[C@@]1(N2CCC(c3cc4cc(NC(=O)C5CC5)ncc4cc3Cl)CC2)COC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHWEHXWQSFXDU-XUZZJYLKSA-N", "SMILES:Cn1cc(C(=O)Nc2cc3cc(C4CCN([C@]5(C)COC[C@@H]5O)CC4)c(Cl)cc3cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNPWSJRKWOXCM-LQZFSELZSA-N", "SMILES:Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(C4CCN([C@]5(C)COC[C@@H]5O)CC4)c(Cl)cc3cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXHBMCGPSLIOG-VKPQGXNBSA-N", "SMILES:Cn1ccc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(C4CCN([C@]5(C)COC[C@@H]5O)CC4)c(Cl)cc3cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSFGUGLUUOKYMW-LMHHSUHVSA-N", "SMILES:C[C@@]1(N2CCC(c3cc4cc(NC(=O)[C@H]5C[C@@H]5c5ccccn5)ncc4cc3Cl)CC2)COC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUOYPKKUCQORTM-QYNLNAJJSA-N", "SMILES:C[C@@]1(N2CCC(c3cc4cc(NC(=O)C5CC56CC6)ncc4cc3Cl)CC2)COC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALUSEVUMIUNYMS-UALOAUQUSA-N", "SMILES:Cc1cc2cnc(NC(=O)C3CC34CC4)cc2cc1C1CCN([C@]2(C)COC[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVBGLLXPLFQKX-UYFZRMNSSA-N", "SMILES:CC(C)(O)[C@H]1C[C@H]1C(=O)Nc1cc2cc(C3CCN([C@]4(C)COC[C@@H]4O)CC3)c(Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNSVPQWVGAVHA-HQXRWGSWSA-N", "SMILES:COC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc2cc(C3CCN([C@]4(C)COC[C@@H]4O)CC3)c(Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSUSQOZPXKSKH-VIICAESSSA-N", "SMILES:C[C@@]1(N2CCC(c3cc4cc(NC(=O)[C@H]5CC56CCOCC6)ncc4cc3Cl)CC2)COC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISEBFQYGEPKLRU-RZTXVSJASA-N", "SMILES:C[C@@]1(N2CCN(c3cc4cc(NC(=O)[C@H]5CC56CCOCC6)ncc4cc3Cl)CC2)COC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL570533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONFDFIXMPXTRH-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL550483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOHITTBIQMSEHG-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccc4ncsc4c3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNNLGJHOCZUVKL-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccc4ncoc4c3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTWBOWFQZVJBC-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccc4ncn(C)c4c3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBPSWNGBIYLPSD-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccc4c(cnn4C)c3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROMXYLCDGAETFI-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccc4[nH]ccc4c3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVZUQIARKBPSND-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccc4ncccc4c3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKDEAIUJIANED-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPMNNHHNOVTGM-UHFFFAOYSA-N", "SMILES:CSc1cccc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQEJUXJAPUMCSC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL537968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHRWNUXTCATSG-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5440091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOZIPIIWXWYBGN-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJSRXRSIMVSJSL-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGTXSGXMMGUJD-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXMNBIOGHBJFO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSGDGUMALJPVTQ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPWLOIXVCFSLH-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAMHHBDYHBBHOA-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBMFKJACAZPWPF-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL533886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWGGWWDJGWOIJI-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cccc(C)n3)nc(Nc3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKXYLIVVCNYHAT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccncc3)c3cc(O)ccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETIPDCGYDSJSJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Nc3ccncc3)nc(-c3cccc(C)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL552232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWPUZDBNNDUNZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(C)cc(Nc3ccncc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUNKNDICLFWURP-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc3ccccc3c(Nc3ccncc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYYGKQETOODJA-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(Nc3ccncc3)c3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFMDQNESKNWGH-UHFFFAOYSA-N", "SMILES:c1cnc(-c2nc(Nc3ccncc3)c3ccccc3n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1513511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGCGUEWRPBJQQD-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3ccncc3)nc(-c3ccc4c(c3)OCO4)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHXCSMQRFMNUOZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(Nc3ccncc3)c3ccccc3n2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUNXYZHOYDRUIZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccncc3)c3ccn(C)c3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFLRBYJFSPHZRQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)cc(OCCCCCCC(=O)NO)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNCJUAXNLWNDNC-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNDJQLJMOWIXIR-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWWHHFUXSHDYIX-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1ccccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFMKQHXYJNDRFC-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1cc(C)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMHCYXEFHLFQE-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1cccc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNNHJVTXYGGVGT-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTJBECBITMEZPP-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1c(C)cc(C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIZPLXGAMAENEG-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1c(C)cccc1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBKWFHWWDFRTE-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1c(C)cccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIGVUSXWHCHRE-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1c(C)cccc1C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGMLAZCSIUYTBW-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1c(CC)cccc1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEZXOHRHAYAEHJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1c(C(C)C)cccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKDXYXBHGDBTEJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDVKFGTAIUQEG-UHFFFAOYSA-N", "SMILES:CCOC(=O)COC(=O)Nc1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAZRGZQHQTYPFP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cn1cccn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNXZEOXFLSYPF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cn1cccn1)OC(=O)Nc1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMJLBBBCUDVXIM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cc1ncccn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWYYKRKDHMACN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cc1ncccn1)OC(=O)Nc1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVJJCKYRZLQFN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cc1cnccn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNTFPXZQMMYARR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cn1cc(C#N)cn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOBVIZOZZJISS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cn1cncn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFKPVAPJDDIFHE-HXUWFJFHSA-N", "SMILES:CC(C)OC(=O)[C@@H](Cn1cc(C#N)cn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEXSOFPQDXJKCO-GOSISDBHSA-N", "SMILES:CC(C)OC(=O)[C@@H](Cn1cncn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNRKDNXVIOUHU-HXUWFJFHSA-N", "SMILES:CC(C)OC(=O)[C@@H](Cc1cnccn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWNAQLNHDHFHEX-OAQYLSRUSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)O[C@H](Cc1ncccn1)C(=O)OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMUQEMHROZVOTF-IBGZPJMESA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ncccn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409389", "category": ["biolink:ChemicalEntity"], "name": "NT-0796", "xref": ["InChIKey:UMUQEMHROZVOTF-LJQANCHMSA-N", "SMILES:CC(C)OC(=O)[C@@H](Cc1ncccn1)OC(=O)Nc1c2c(cc3c1CCC3)CCC2"], "synonym": ["Nt-0796"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXWZQHGHRELLY-MRXNPFEDSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)O[C@H](Cc1ncccn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBBUARHULXYTEC-SLRQQXHISA-N", "SMILES:CC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C(\\C)[C@@H](O)[C@@H](C)/C=C(\\C)[C@@H](O)[C@@H](C)/C=C(\\C)C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTIXSJGDMNABM-IFLJBQAJSA-N", "SMILES:Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccccc4)nn3)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEIXPAWWDZEDLX-RQSWOZRGSA-N", "SMILES:Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(Sc4ccccc4)nn3)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDAVNMUXUJQIJ-JCYXVLLNSA-N", "SMILES:Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc([S+]([O-])c4ccccc4)nn3)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOMSPOXOMYAFKP-RQSWOZRGSA-N", "SMILES:Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(S(=O)(=O)c4ccccc4)nn3)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROQDROPGJRNKKP-VTOAZQAJSA-N", "SMILES:OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](n2cc(Sc3ccccc3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFOMGXMEEFKQRQ-YQMYHTILSA-N", "SMILES:[O-][S+](c1ccccc1)c1cn([C@H]2[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYZOKSXMSOLNQR-VTOAZQAJSA-N", "SMILES:O=S(=O)(c1ccccc1)c1cn([C@H]2[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OARGKFGHNLEIQR-CPMKIQJPSA-N", "SMILES:OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](n2cc(-c3ccccc3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZJAXIGMUDMYRJ-IBGZPJMESA-N", "SMILES:CC(C)n1nc(-c2ccccc2)c2ccc(COc3ccc([C@@H](C)CC(=O)O)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZJAXIGMUDMYRJ-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4ccccc4)nn(C(C)C)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKJJVQDKBAPOT-UHFFFAOYSA-N", "SMILES:C=CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4ccccc4)nn(C(C)C)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDCNNVMKBFOAU-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccccc2)c2ccc(COc3ccc(C(C)CC(=O)O)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVWUHCKXTBNNHH-UHFFFAOYSA-N", "SMILES:CCCn1nc(-c2ccccc2)c2ccc(COc3ccc(C(C)CC(=O)O)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDKFKLTNRRBDX-UHFFFAOYSA-N", "SMILES:CC(C)Cn1nc(-c2ccccc2)c2ccc(COc3ccc(C(C)CC(=O)O)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNASTYSIXOLKGM-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4ccccc4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1255936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXMJYVXMZJOAO-UHFFFAOYSA-M", "SMILES:C[N+](C)(C)CCC(=O)c1cccc2ccccc12.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3956726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNXFRJAXYBPFE-QFIPXVFZSA-N", "SMILES:Cc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742483", "category": ["biolink:ChemicalEntity"], "name": "RESOLVIN E1", "xref": ["InChIKey:AOPOCGPBAIARAV-OTBJXLELSA-N", "SMILES:CC[C@@H](O)/C=C/C=C\\C[C@@H](O)/C=C/C=C/C=C\\[C@@H](O)CCCC(=O)O"], "synonym": ["Resolvin e1", "Rx-10001", "J2.218.407E", "RX-10001"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5412965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZGANBDMIANAZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nn(C2CCCC2)c2cc(COc3ccc(C(C)CC(=O)O)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJEFDPBMKYXMQC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(C3CCCC3)c3cc(COc4ccc(C(C)CC(=O)O)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSQKFFEJGGURI-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(O)cc4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHEOCJVGPSJPML-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4ccccc4O)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGUQCNZRFQHOFS-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4cccc(O)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMSDBUBKVDNND-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(C3CCCC3)c3cc(COc4ccc(C(C)CC(=O)O)cc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCRYDMAMBACGOW-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc([N+](=O)[O-])cc4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDFQDOXLAJSBSE-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(Cl)cc4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVNMVEPRXQFVJP-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(C#N)cc4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSQKFFEJGGURI-IBGZPJMESA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(O)cc4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXKKPKBNNSKNC-SFHVURJKSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(O)c(C(F)(F)F)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXHHYILTIQNEOE-SFHVURJKSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(O)c(Cl)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZNMTIBWDXSQAT-SFHVURJKSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(O)c([N+](=O)[O-])c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPODRILVGWKPD-SFHVURJKSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(O)c(O)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBXLHRSBRNCGJ-IBGZPJMESA-N", "SMILES:COc1cc(-c2nn(C3CCCC3)c3cc(COc4ccc([C@@H](C)CC(=O)O)cc4)ccc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJVVQUJSKCNKL-IBGZPJMESA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(O)c(C#N)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQOJKCOUYGLII-SFHVURJKSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(O)cc4F)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKBWJNCDGHKDQZ-SFHVURJKSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4ccc(O)cc4Cl)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPJBRPMDMWTAD-KRWDZBQOSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4cc(F)c(O)c(F)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFNUEJFXSIHAE-KRWDZBQOSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4cc(Cl)c(O)c(Cl)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFNUEJFXSIHAE-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4cc(Cl)c(O)c(Cl)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJBHFVPUJASNI-KRWDZBQOSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4cc(F)c(O)cc4F)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMDBTARPIBFOH-KRWDZBQOSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4cc(Cl)c(O)cc4Cl)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEBYXCTZLFTAA-SFHVURJKSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4cc(F)c(CO)c(F)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAYMYLVEKORAN-SFHVURJKSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2ccc3c(-c4cc(Cl)c(CO)c(Cl)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAYMYLVEKORAN-UHFFFAOYSA-N", "SMILES:CC(CC(=O)O)c1ccc(OCc2ccc3c(-c4cc(Cl)c(CO)c(Cl)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZDTXZCYGZSRSY-INIZCTEOSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2cc(F)c3c(-c4cc(F)c(O)c(F)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTFHPMBWHJUCNZ-INIZCTEOSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2cc(F)c3c(-c4cc(Cl)c(O)c(Cl)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOIQPSZWISUSF-KRWDZBQOSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2cc(F)c3c(-c4cc(F)c(CO)c(F)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSFVPDVRKIFGLA-KRWDZBQOSA-N", "SMILES:C[C@@H](CC(=O)O)c1ccc(OCc2cc(F)c3c(-c4cc(Cl)c(CO)c(Cl)c4)nn(C4CCCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYVUVAGMGUYWIR-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3nccc(-n4ccnc4-c4ccc(F)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKOCKIGRMVMSO-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3nccc(-n4ccnc4-c4ccc(Cl)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDLIBJKKTUSKO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nccn2-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMQETKGPKMMKI-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3nccc(-n4ccnc4-c4cccc(F)c4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCRWDUCWBXHCBQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-n4ccnc4-c4ccc(F)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMIDIPDTFKSQA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-n2ccnc2-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTRAVYHSODRGO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2ccnc2-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTAHAQJWXPLKN-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(N)nc4-c4ccc(F)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJMCLVQNXHNYOU-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWSBFIBCNUFBKI-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPVFHXYURHCRS-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQNLNVSDRKWLL-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(N5CCOCC5)nc4-c4ccc(F)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPDUWZDUFOOBL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVUTHNDERYLND-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(NS(C)(=O)=O)nc4-c4ccc(F)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYCGUJMPXZQUMH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSBGEWXZAQVKK-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBMFDVSLSLWWJV-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKISDOSJXGOPRF-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(NS(=O)(=O)c5ccc(F)cc5)nc4-c4ccc(F)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDXPGWGIFJUJV-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(NS(=O)(=O)C5CCCCC5)nc4-c4ccc(F)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWVWVCURJLBRY-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ccc2cc(Nc3nccc(-c4sc(NS(=O)(=O)CC)nc4-c4ccc(F)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUITTCZLLWRIN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN4CCOCC4)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHWNGOQAVOZIH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVUQZFKKFVDHU-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3nccc(-c4sc(NS(=O)(=O)CC)nc4-c4ccc(F)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXHZSEOVYJQYFK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVJOYLFSJCDBA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(C4CCN(C)CC4)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIIVPNOFYBDTMV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POCNFUDIFYTEJP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3OC)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXCBRDPJRKVYGW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3cc(C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJJSKBJYZOXJHS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJZBNQNFHAPSW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3OC)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYALCGFFOKSDTM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCOCC4)c(F)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQFQOOKCXGSKO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3cc(-c4cnn(C)c4)c(N4CCOCC4)cc3OC)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSAVMMLTMTCOJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc5c(ccn5CCN(C)C)c4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBWYHABWKENRH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCn1ccc2cc(Nc3nccc(-c4sc(C5CCN(S(=O)(=O)CC)CC5)nc4-c4ccc(F)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNFPIMXKKWCRC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc5c(ccn5CCN5CCOCC5)c4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJPUININROYBN-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCNCC5)cc4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNIDTSIZUJCPC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cc4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUWPLKWOAFCGG-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3nccc(-c4sc(C5CCN(S(=O)(=O)CC)CC5)nc4-c4ccc(F)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVEHUAVUNMNEFB-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCN(C(C)C)CC5)cc4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBAWZFPMCVBRAW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(C5CCN(C)CC5)cc4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPZSSNYOQITMKA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COUDGNWXRXUUGW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cc4OC)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCWWFXAOHXOBEH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJYDCNDBRVKOIQ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4OC)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VATYWFAGGVOALR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCOCC5)c(F)c4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMVJLLJHTYUDE-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc2cc(Nc3nccc(-n4ccc(-c5ccc(F)cc5)n4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWYTZCHGSWHNKH-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cn(CCNS(=O)(=O)N(C)C)c2ncc(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCKMQLBZFLVOK-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cn(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUOYOWEFPIZSQ-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGBJVDMWTKPPKT-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3cccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQZIDXJDVQZJO-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccccn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECIRGDICFEPEI-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3cncnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGASWGIIWIJTR-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXWVULSRVODOHD-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBJZXLJPFYRDKN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNXSZVWJSWLDLA-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(C3CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHIIYIZTWPWHE-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVRVVXCHEGCSBT-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccccc3Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQGUOKPLUSECCW-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccccc3O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LADPSTFCQGZBMH-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccccc3C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIMRTIMLDFQHJ-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3cccc(F)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRWOXNEORMEFJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc3c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFFYANLCSIBVSP-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3cccc(C(F)(F)F)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSVZQCAZAAYZSB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQIAMMSXJOJRP-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3cccc(C#N)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKUVEKWRMPXGFA-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccc(F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQFZOINLKCRJH-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDJYEVVPRWTII-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)N2CCCC2)c2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVJLSMEQZFJQA-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)C(C)C)c2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLNBEDZHCSARW-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)C2CC2)c2ccc(-c3ccncc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLRBAOQGMIQTH-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CCNS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHXFPXERCAUOI-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(CNS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPDIIYUUXRKFZ-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(C(C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXGDTQCCYKWHHY-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(C(C)(C)NS(=O)(=O)C2CC2)c2ccc(-c3ccccc3C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NECDAWXLCJDWTH-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(C(NS(=O)(=O)C2CC2)C(F)(F)F)c2ccc(-c3ccccc3C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1594734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDCDITVKCKBZTO-UHFFFAOYSA-N", "SMILES:O=C1CCC(NC(=O)c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOAHVHODYFOOBF-UHFFFAOYSA-N", "SMILES:O=C1CCC(NC(=O)c2cc(F)c(F)c(F)c2F)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOLLDBOOXRTMRB-UHFFFAOYSA-N", "SMILES:Nc1cccc(C(=O)NC2CCC(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKRMKVDNCFRFC-UHFFFAOYSA-N", "SMILES:Nc1cccc(C(=O)NC2CCC(=O)NC2=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOKBLSWHXNCMS-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NC2CCC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXLABFIWQGDLW-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYYCADYTWTGMG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C(=O)NC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBNFISJFWXHOO-UHFFFAOYSA-N", "SMILES:Nc1cccc(F)c1C(=O)NC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODBDBMXVJIBLEY-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPKPRXOHNCNKLQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUTHFOQUICVORE-UHFFFAOYSA-N", "SMILES:Cc1cc(N)ccc1C(=O)NC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGDHJMSLPDYEO-UHFFFAOYSA-N", "SMILES:COc1cc(N)ccc1C(=O)NC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUAAMOPTISHEC-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJIOMGESOLWQL-UHFFFAOYSA-N", "SMILES:COc1c(N)c(F)cc(C(=O)NC2CCC(=O)NC2=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCOGSOWVBFTKN-UHFFFAOYSA-N", "SMILES:CCCCNc1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DALJORPGDUPLPV-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)CNc1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWKWRZUXWYSGOU-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IONAEGMCSLASDU-UHFFFAOYSA-N", "SMILES:CCCCNc1c(F)cc(C(=O)NC2CCC(=O)NC2=O)c(F)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYRJHMYILLTOI-UHFFFAOYSA-N", "SMILES:CCCCNc1ccc2c(=O)n(C3CCC(=O)NC3=O)nnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHLYYMAJMLQQH-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C2CCC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUEGCYAVXIPRPX-UHFFFAOYSA-N", "SMILES:CCCCNc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPCNYVDMALQGW-UHFFFAOYSA-N", "SMILES:O=C1CCC(NC(=O)c2ccccn2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXPSJLDBCVUULG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1sccc1C(=O)NC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVMVFZVVJVFJKX-UHFFFAOYSA-N", "SMILES:Cc1cc2cccc(C(=O)NC3CCC(=O)NC3=O)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIJYNGMYYHQSKH-UHFFFAOYSA-N", "SMILES:CCCCNc1ccc(C(=O)NC2CCC(=O)NC2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIWQOXLAXMQEN-UHFFFAOYSA-N", "SMILES:CCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZRLOIDJCMKJHE-UXMRNZNESA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCNc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEOCYRYMWSEQA-BBMPLOMVSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCNc1ccc(C(=O)NC3CCC(=O)NC3=O)c(F)c1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDUVAKPNKFJKY-GEVKEYJPSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCNc1ccc(C(=O)NC3CCC(=O)NC3=O)c(F)c1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEADBCFIJKDCCN-XIJSCUBXSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCNc1ccc(C(=O)NC3CCC(=O)NC3=O)c(F)c1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYXMMWDBHSOJH-FLDQDSGZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNc1ccc(C(=O)NC3CCC(=O)NC3=O)c(F)c1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SABCLLFSVWNNII-OBOZPERJSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCCCNc1ccc(C(=O)NC3CCC(=O)NC3=O)c(F)c1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INDZEDXEDYLXIC-GEVKEYJPSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCNc1ccc(C(=O)NC3CCC(=O)NC3=O)c(F)c1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZKXOFPSXMWOFZ-XIJSCUBXSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCNc1ccc(C(=O)NC3CCC(=O)NC3=O)c(F)c1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTNMFROSEFWETI-XIJSCUBXSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCC1CCN(c3ccc(C(=O)NC4CCC(=O)NC4=O)c(F)c3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NICCBJKOIKXIQF-FLDQDSGZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC3(CC1)CCN(c1ccc(C(=O)NC4CCC(=O)NC4=O)c(F)c1)CC3)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGEFKUAPMTXLNR-UHBYFKDRSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCC1CCN(c3ccc(CNc4ccc(C(=O)NC5CCC(=O)NC5=O)c(F)c4)cc3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVJJLVZJPBUMK-XIJSCUBXSA-N", "SMILES:COc1cc(N2CCC(CNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)ccc1C(=O)NC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTPSSRBDBSQKC-XIJSCUBXSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCC1CCN(c3ccc(C(=O)NC4CCC(=O)NC4=O)cc3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEQBSCKOIKPUIN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(NC(=O)CCCCCCCNC(=O)CNc2ccc(C(=O)NC3CCC(=O)NC3=O)c(F)c2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YACBBDOEMCACOF-UHFFFAOYSA-N", "SMILES:COc1cc(NCC(=O)NCCCCCCCC(=O)Nc2ccc(C(=O)NCCCCCCC(=O)NO)cc2)ccc1C(=O)NC1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLNYZXFIAFWSF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(Cc5ccccc5)nn4)c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNEPDHLFWWAISE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(C(=O)NO)c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYFOAWXTIQBJS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(Cc5ccc(C(=O)NO)cc5)nn4)c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTMVYQHIOEHIG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCCCC(=O)NCc5ccc(C(=O)NO)cc5)nn4)c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNFKTHQLIBPFNF-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)CCCCn1cc(COc2cccc(Cc3cnc(NC(=O)CSc4nc(C)cc(C)n4)s3)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMHPTAZKYQZMF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCOCCOCCOCCOCCC(=O)Nc5ccc(C(=O)NCc6ccc(C(=O)NO)cc6)cc5)nn4)c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWFYNKHVKIJDDS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Nc5ccc(C(=O)NCc6ccc(C(=O)NO)cc6)cc5)nn4)c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCHZDNFNSMGAW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCOCCOCCOCCOCCC(=O)Nc5ccc(C(=O)NCCCCCCC(=O)NO)cc5)nn4)c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAEQCSXHYDCDJO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc(C(=O)NO)cc3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWOKCNQEXSKNLD-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZCNTRPTAESFB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUZXVBRXLWFADZ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(CCCC)Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHMBJRUBDQYYSV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCUJNFERKWPKY-BVQDOMOSSA-N", "SMILES:CCC(C)(C)c1ccc(OCC(O)CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(C(C)(C)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHYFZOKHMZCQK-UHFFFAOYSA-N", "SMILES:CN1CCC2C(C1)c1ccccc1N2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMJKDQZZJLZQQ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFUIGWIHITWNAY-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)n(C2CC2)c2nc(Cc3cn4ccccc4n3)n(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOHNCSPZIXYWEG-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMJUABYLXDYGS-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAJFZWRIIDOQRK-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMUJKYXKGUURTR-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3nc(C)sc3n1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWQDMPMSOWDUDB-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(Cl)sc3n1)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWAILKFEUQGCNZ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGPHSLXZCKRAAL-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(-c2ccn(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSXYOVDFRKNIW-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccsc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVQMIFZROVBAO-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQNCXRAUFMYLH-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(Cl)sc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYHSUTOUGLUUPG-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(N2CCCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWJZVDIZBVTCO-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1ccc(N2CCCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRVHHHRWKHKSZ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(N2CC(F)(F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEZQQXWWAZWEB-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(Cl)sc3n1)n2Cc1ccc(N2CC(F)(F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDEPTIRSFNDUOK-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(-n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZSMDMETIFIBH-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(Cl)sc3n1)n2Cc1ccc(-n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIZHXNLSAXVHZ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2noc(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPVHOGWXZNTUSP-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(-c2noc(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVYDINLTFQEVNV-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2nc(C)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTEOQFKRPWTAIL-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMMNAVKAIUPSEK-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(-n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCFPHIDTPCZCGW-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(N2CC(OC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTIQGKCZQHSQW-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTJJBFCHNOJGSV-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ncccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZRLGNWKWWNDN-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLOGXGDGPMEGS-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKWIQGROOGVOLF-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWFUUDKUXRSKEG-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(Cl)sc3n1)n2Cc1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKDJNMHCQGERZ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1cccc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOGFVOSMULGXOF-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1cccc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACLOVMZIKSVFQ-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWOYZVKQTQJAOF-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITCJRJDTZUJTI-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRFNOGXIUVPGGT-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXXFUMVQYJTVBE-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYFKIYMVQBKPN-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(CC(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUIMNFBUYRMNPV-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZYXGHVDIAXWRR-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJNQDXBEWZRXKJ-SANMLTNESA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1cccc(C(=O)NC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKHEXPFNSCIHH-IBGZPJMESA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1cccc(C(=O)NC[C@H](N)C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHWMREXLKUXJMN-SFHVURJKSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1cccc(C(=O)NC[C@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDQFUGCZCQACS-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNXRVLXFOXYEC-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQAIBLKSANVCAM-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAMXOEFEIFTUNL-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1cccc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXINBEIPAXYDLI-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDNAELQCMYRZES-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOONQMFXDYTUQF-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQIGWZLZUMNRAB-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2CC1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDRFUYWOVFIPP-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2CC1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYETZZRDJHRRPW-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(Cl)sc3n1)n2CC1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTQKTGYWGJOGNR-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRNPAJSSYMZGCT-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKIVCYDZYCBMLF-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPPYMGGKCZLRLD-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGWCDQLDTUSIS-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRCWVHWZMJADV-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBAIZUUPWRHPSF-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2CCC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWAZKHUQSQHSTL-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1c(Cc2cn3cc(C)sc3n2)nc2c1c(=O)[nH]c(=O)n2CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLJGIHROKVFFHD-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCn1c(Cc2cn3cc(C)sc3n2)nc2c1c(=O)[nH]c(=O)n2CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFTLBIABLIVZFE-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2CCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFJNBWPDSYJKV-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2CCC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMSVJPWXXQOHK-UHFFFAOYSA-N", "SMILES:CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2CCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWIGWIZFMAXRAR-UHFFFAOYSA-N", "SMILES:CCc1nc(C)ccc1OCC(=O)N1CCc2nc3n(c2C1c1ccc(Cl)cc1F)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSJFVSWCVEOMO-OAHLLOKOSA-N", "SMILES:COC[C@@H](C)OC(=O)Cc1ccc(Nc2cc(Nc3ccccc3OC)c(C(N)=O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSJFVSWCVEOMO-HNNXBMFYSA-N", "SMILES:COC[C@H](C)OC(=O)Cc1ccc(Nc2cc(Nc3ccccc3OC)c(C(N)=O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTVQTWPMPXBGM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1cc(Nc2ccc(CC(=O)O)cn2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJRANCWIWRLEJM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJGQOHCTNGEHDC-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1ccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHCHCZKMLGTHT-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCc1ccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYRFWCGCDMTOA-UHFFFAOYSA-N", "SMILES:CCOC(=O)COc1ccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VALKBDVUFHAEMQ-UHFFFAOYSA-N", "SMILES:COC(=O)Cc1ccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHLCOANWGGTMC-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)Cc1ccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTPMWBIGLQDFM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cnc(Nc2ccc(CC(=O)O)cn2)cc1Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQIYFTOVASBCBB-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cc1ccc(Nc2cc(Nc3ccccc3OC)c(C(N)=O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJHREQOUJMQXBL-UHFFFAOYSA-N", "SMILES:COCCOC(=O)Cc1ccc(Nc2cc(Nc3ccccc3OC)c(C(N)=O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXLWZLUHIKGJID-MRXNPFEDSA-N", "SMILES:COc1ccccc1Nc1cc(Nc2ccc(CC(=O)O[C@@H]3CCOC3)cn2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXLWZLUHIKGJID-INIZCTEOSA-N", "SMILES:COc1ccccc1Nc1cc(Nc2ccc(CC(=O)O[C@H]3CCOC3)cn2)ncc1C(N)=O"]}
{"name": "C-C motif chemokine 17", "xref": ["CHEMBL.TARGET:CHEMBL4295915"], "id": "UniProtKB:Q92583", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZAXVGPREHBRRS-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCCCCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOOXYUMTAUJKMY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2cccc(OCCCCCCNC(=O)c3ccc(-c4c5ccc(N(C)C)cc5[o+]c5cc(N(C)C)ccc45)c(C(=O)[O-])c3)c2)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGKIBIYUZNGLGA-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccc(OCCCCCCNC(=O)c3ccc(-c4c5ccc(N(C)C)cc5[o+]c5cc(N(C)C)ccc45)c(C(=O)[O-])c3)cc2)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYGMNICUFSQDV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCOCCOCCOCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWMXRMXILQAGBR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2cccc(OCCOCCOCCOCCNC(=O)c3ccc(-c4c5ccc(N(C)C)cc5[o+]c5cc(N(C)C)ccc45)c(C(=O)[O-])c3)c2)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAPMVJJRTOIXCQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccc(OCCOCCOCCOCCNC(=O)c3ccc(-c4c5ccc(N(C)C)cc5[o+]c5cc(N(C)C)ccc45)c(C(=O)[O-])c3)cc2)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVMJRJNORLCPY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCOCCOCCOCCOCCOCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBYNZQXAAWPAGR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQULNTWGBBNZSC-SNAWJCMRSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2c(O)cccc2O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL597744", "category": ["biolink:ChemicalEntity"], "name": "TRIACETYLRESVERATROL", "xref": ["InChIKey:PDAYUJSOJIMKIS-SNAWJCMRSA-N", "SMILES:CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL110370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANNNBEZJTNCXHY-NSCUHMNNSA-N", "SMILES:COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMBZXRBCKZDGOZ-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSAHQVJRRJXAP-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNQCGXVJMFZDIE-VGTZBDPTSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYVCUWZLRDETNF-VGTZBDPTSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONQIZIBCFHJFOB-BJVBDNACSA-O", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCc2cccc(c2)C[S+](C)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPTZTHGNHVKJRM-VGTZBDPTSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVLQCCRUEQFDIG-BJVBDNACSA-O", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC[S+](C)Cc2cccc(c2)CSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMHVWFUVSRAFX-HXHLZDPWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFFWWJLQDARRJX-AAGBFIRHSA-O", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSCc2cccc(c2)[S+](C)CCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHDYRDOPAGJVKL-JOWQXCCWSA-O", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCc2cccc(c2)C[S+](C)CC[C@@H](C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLHVGKJKKWAPPG-XJQRUZKJSA-O", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCc2cccc(c2)C[S+](C)CC[C@@H](C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2097844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVKZOYXTOVFRQE-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5409895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIIYBUDDBGQTP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQWJEPJTJZKBD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccccc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPEVJBVNTYFNJC-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2nc(-c3ccccc3)no2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTXMMQKENBTBBK-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(O)c(O)c1)c1nc(-c2ccc(O)c(O)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKXUHNOTQYSMCE-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)c1nc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COAXXBOBUVTXEP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3cccnc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZOJYNMVMKRVRR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCN3CCOCC3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXKLQSPJUTVUGN-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQQSERQCCRBPFK-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNARFQXFWPCRPI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)O)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTAOVZQPVHVPIT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(N)=O)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTFMTBLTSJNYKB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(CCNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASOKCJTUFSVGAL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N(C)C)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCZJCDQGYPXFCY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CCC4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXGAIMQDSNVYKD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CCC4)nc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPNULCQWIIBUHL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CC(OC)C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRHKDPDPFHKHDT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CC(F)C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQNSAYGNDPJJR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CC(F)(F)C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVEZNVONDJRLBH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CC5(COC5)C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAJTJJYMOBKLR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCC(C)(C)c3ccccc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQRWHASNFCYMNY-ZDUSSCGKSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NC[C@H](C)c3ccccc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQRWHASNFCYMNY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCC(C)c3ccccc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMWPQJFHTKHOPI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NC(C#N)Cc3ccccc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJZFDUXMJAMGOO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CCC4)cc3)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYPHQISDLHEWLI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CCC4)cc3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOZJXLJHKTUVPI-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(C(=O)N2CCC2)cc1)c1nc(-c2ccc3nc[nH]c3c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRYGSJPFAUJBO-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(C(=O)N2CCC2)cc1)c1nc(-c2ccc3ccoc3c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFCYGAMXFSUSBQ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(C(=O)N2CCC2)cc1)c1nc(-c2ccc3cc[nH]c3c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBIWJBMKJGWGD-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(C(=O)N2CCC2)cc1)c1nc(-c2ccc3cn[nH]c3c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROHFNPSVYBSHZ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CCC4)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQAXYGSJWICGL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CC(OC)C4)cc3)n2)cc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYAMPBSQVFSKV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CC(OC)C4)cc3)n2)cc1OC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCPYBHAWEGHWFZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CC(OC)C4)cc3)n2)cc1OC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLYBBWWWOXXRGS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CC(OC)C4)cc3)n2)cc1OCC1(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2097985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQHHRBAPAHGKK-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5399451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUUQHSDFMLKMC-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(=O)Nc2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZOPTPDWWOWSCZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CNCCc3ccccc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERQZRIWIUCXLX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(=O)NCCc3ccccc3)no2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAOMTCIYZOZPIE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc(C(=O)NCCc3ccccc3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWUINCEFNVWFR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnc(C(=O)NCCc3ccc(C(=O)N4CC(OC)C4)cc3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMNJIXFCHIEXRX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NC(C#N)Cc3ccc(C(=O)N4CCC4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODHZSXUYALGJKC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NC(C#N)Cc3ccc(C(=O)N4CC5(COC5)C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDGASMRFYLBJY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NC(C#N)Cc3ccc(C(=O)N4CC(OC)C4)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOWWDNOGLQOIT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(=O)NC(C#N)Cc3ccc(C(=O)N4CC(OC)C4)cc3)n2)cc1OCC1(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4781901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUUJNJFIRDSZMB-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEJMNZDIQDULLP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGKYUUXQHJUSD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXBUVZWKYPJPV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYFSLLYSUSGDIB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)n[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHSQBSOEDOZOHJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(-c3ccc(CNS(N)(=O)=O)cc3)n[nH]c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTUZZPUYFEIJE-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(CNS(N)(=O)=O)cc2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJYUXDWFBYCQMD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCc1ccc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUSRVUDRPLURPD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFZRJNAXBAEGM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)nn(C)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOIRNWCZBKDGH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)n(C)nc(-c3ccc(CNS(N)(=O)=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHFNWJKYQSRCOC-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(CCS(N)(=O)=O)cc2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEGQJOPVKOICLE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZTLQMYGZZNGIS-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLPGRWCSCZLRB-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc3c(c2)CCN(S(N)(=O)=O)C3)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXKSZOFHBNXHFF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NCC1CCN(c2n[nH]c(=O)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFIOTAZTAHYQO-UHFFFAOYSA-N", "SMILES:Cn1nc(N2CCC(CNS(N)(=O)=O)CC2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUMSENXSUANEJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCC(CNS(N)(=O)=O)CC3)n[nH]c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVCIZYBWBXLKG-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCC(CNS(N)(=O)=O)CC3)nn(C)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDPSFGWNZAGRT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Nc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSWDFPHBMQXSLN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Nc1ccc(Cc2n[nH]c(=O)c3ccccc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZQAGZXXJOARD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Nc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMOTQFBSOVQLI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Nc1ccc(Cc2n[nH]c(=O)c3ccccc23)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRUUHLOYVVSYRL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Nc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMUKGSKMVACJQ-UHFFFAOYSA-N", "SMILES:Cn1nc(Cc2ccc(NS(N)(=O)=O)cc2)c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAVSNVQAIAZYFO-UHFFFAOYSA-N", "SMILES:CN(c1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1)S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPVNZUGJCGHUTD-UHFFFAOYSA-N", "SMILES:COc1cc2c(Cc3ccc(NS(N)(=O)=O)cc3)n[nH]c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMABHFVPGJFMDI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Cc3ccc(NS(N)(=O)=O)cc3)nn(C)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYGDQELCLBEKKS-UHFFFAOYSA-N", "SMILES:COc1cc2c(Cc3ccc(N(C)S(N)(=O)=O)cc3)n[nH]c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWGDGNPLWKVXNK-UHFFFAOYSA-N", "SMILES:COc1cc2c(Cc3ccc(N(C)S(N)(=O)=O)cc3)nn(C)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIUSKTOETOYWFY-UHFFFAOYSA-N", "SMILES:COc1cc2c(Cc3ccc4c(c3)CCN4S(N)(=O)=O)n[nH]c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWWUJTXMBFGUFI-UHFFFAOYSA-N", "SMILES:COc1cc2c(Cc3ccc4c(c3)CCN4S(N)(=O)=O)nn(C)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZCGCXGJTYMTH-TZPNTHKFSA-N", "SMILES:Cc1ccc(-c2ncc3c(n2)N2CCOC[C@@]2(C)C(=O)N3[C@H]2CC[C@H](O)CC2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSIRAWAQTMHYAU-TZPNTHKFSA-N", "SMILES:Cc1cccc2c(-c3ncc4c(n3)N3CCOC[C@@]3(C)C(=O)N4[C@H]3CC[C@H](O)CC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZCGCXGJTYMTH-QLODZENZSA-N", "SMILES:Cc1ccc(-c2ncc3c(n2)N2CCOC[C@@]2(C)C(=O)N3[C@H]2CC[C@@H](O)CC2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSIRAWAQTMHYAU-QLODZENZSA-N", "SMILES:Cc1cccc2c(-c3ncc4c(n3)N3CCOC[C@@]3(C)C(=O)N4[C@H]3CC[C@@H](O)CC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRKKQWDDVIUFBU-DEOSSOPVSA-N", "SMILES:Cc1cccc2c(-c3ncc4c(n3)N3CCOC[C@@]3(C)C(=O)N4C3(CCCO)CC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXPDKVBMCFEJF-DXMSMQRWSA-N", "SMILES:C[C@@]12COCCN1c1nc(-c3cccc4[nH]ccc34)ncc1N([C@H]1CC[C@@H](O)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXPDKVBMCFEJF-YWTKSJFSSA-N", "SMILES:C[C@@]12COCCN1c1nc(-c3cccc4[nH]ccc34)ncc1N([C@H]1CC[C@H](O)CC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBZWWXBLAZUCRP-DEOSSOPVSA-N", "SMILES:Cc1cccc2c(-c3ncc4c(n3)N3CCOC[C@@]3(C)C(=O)N4C3CCOCC3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DETWQLXXQPXQQG-DHRITJCHSA-N", "SMILES:Cc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)N/N=C/c2ccc3cn[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPDJOPKJYPBEIM-LSHDLFTRSA-N", "SMILES:Cc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)N/N=C/c2csc(Br)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUQCKXNRBOZFRW-AYSLTRBKSA-N", "SMILES:O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1csc(Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMEVKCKYTPUROA-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)N1CCC2(CCC(N3CC4(COC4)C3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRNQGXKCGGASBM-UHFFFAOYSA-N", "SMILES:COc1nccc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMTALEAOMIPRIO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1coc(C(F)(F)F)c1)N1CCC2(CCC(N3CC4(COC4)C3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKILBHKXSGLVJJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC2(CCC(N3CC4(COC4)C3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHYSLJOAKNQGD-UHFFFAOYSA-N", "SMILES:Cn1nc(C2CC2)cc1S(=O)(=O)N1CCC2(CC1)CC(NC1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCJJJRMJUZYTP-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ncc1S(=O)(=O)N1CCC2(CC1)CC(N(C)C1CC3(COC3)C1)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJNULNMWPZFDR-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)F)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5289875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXYXBYLQECASPH-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(OS(=O)(=O)F)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKROUZQCPJHCS-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)n4nccn4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSXFSKJGFNFSL-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)n4cncn4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXGIWHWNJZVUAC-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)n4ccnc4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIVDQIYOIXBKQ-UHFFFAOYSA-N", "SMILES:Cc1cn(S(=O)(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGQLADLOFGMQZ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)n4cnc(F)c4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWGZKBUCRJPIJF-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)n4cnc(C(F)(F)F)c4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFRHHYHSDAJGY-UHFFFAOYSA-N", "SMILES:Cc1cnn(S(=O)(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUXYXXBAHQMFKK-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)n4ccc(F)n4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCNHBGNPGFMWGO-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)n4cc(F)cn4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLZSVRMOCPFVIB-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)n4ccc(C(F)(F)F)n4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYGGDVUNUDPEI-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)n4cc(C(F)(F)F)cn4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTCPUQCPILDKJV-UHFFFAOYSA-N", "SMILES:Cc1cn(S(=O)(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMVALDXXRYVCCL-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)n4ccc(=O)[nH]c4=O)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJWTDRCYZYMDO-UHFFFAOYSA-N", "SMILES:Nc1ccn(S(=O)(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIQNPZJYRAJFN-HGVAOISJSA-N", "SMILES:CCCCCCCC(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"name": "Signal peptidase I", "xref": ["CHEMBL.TARGET:CHEMBL4470"], "id": "UniProtKB:P00803", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKUGRYYMEGSGAD-LOPPWMOBSA-N", "SMILES:CCCCCCCCC(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPBDQWXFLGGLEA-OLQUXKRTSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPGSLKCDCNLFNG-KDCBYZHASA-N", "SMILES:CCCCCCCCCCC(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODMBKUQZWNUAJV-ZHUKHECXSA-N", "SMILES:CCCCCCCCCCCC(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KERGNDFWFJJHQE-AYAQEWECSA-N", "SMILES:CCCCCCCCCCCCC(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNNJCXKSNABDO-BRKPOXQMSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVRQODXDCCMET-WFXFPESJSA-N", "SMILES:Cc1cc(-c2ccccc2)ccc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXICPEQQTOCLFY-NBSMLYFVSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](N(C)C(=O)[C@H](CCN)NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c2ccc(OCCN)c(c2)-c2cc(ccc2OCCN)C[C@@H](C(=O)NCC#N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULXBXTDUXCXONU-NEUAGKQPSA-N", "SMILES:Cc1cc(-c2ccc(Cl)cc2)ccc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGRHQQIKPXNGK-UFTNCSLPSA-N", "SMILES:CCc1ccc(-c2ccc(C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]3C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc4ccc(OCCN)c(c4)-c4cc3ccc4OCCN)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPDUDYUKFGPDA-NEUAGKQPSA-N", "SMILES:Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCLJIIRFBPHONG-MLVMWWOGSA-N", "SMILES:Cc1cc(-c2ccc(C(C)C)cc2)ccc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOXHXREPFINIF-MLVMWWOGSA-N", "SMILES:CCCCc1ccc(-c2ccc(C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]3C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc4ccc(OCCN)c(c4)-c4cc3ccc4OCCN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUWTRHHRBIBLI-MLVMWWOGSA-N", "SMILES:Cc1cc(-c2ccc(C(C)(C)C)cc2)ccc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNQKKIGKBOPCBP-QTEYCOJOSA-N", "SMILES:Cc1cc(-c2ccc(-c3ccccc3)cc2)ccc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSJVPZBLDVBEI-GWUXVGLDSA-N", "SMILES:CC(C)CCc1ccc(-c2ccc(C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]3C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc4ccc(OCCN)c(c4)-c4cc3ccc4OCCN)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVELWWHQJPNMRZ-GWUXVGLDSA-N", "SMILES:Cc1cc(-c2ccc(CC(C)C)cc2)ccc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFHWWRHGWOFROO-JBGBSDFBSA-N", "SMILES:Cc1cc(-c2ccc(C(C)(C)C)cc2)cc(C)c1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADPORPAOSSMENX-YPAMDKQRSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](N(C)C(=O)[C@H](CCN)NC(=O)c2cnc(-c3ccc(C(C)(C)C)cc3)cc2N)c2ccc(OCCN)c(c2)-c2cc(ccc2OCCN)C[C@@H](C(=O)NCC#N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCCNUEZZJPVGKU-WPQMSWBKSA-N", "SMILES:CNc1nc(-c2ccc(C(C)(C)C)cc2)ncc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEKGVVEFYKCHS-JZMGBYPYSA-N", "SMILES:Cc1nc(-c2ccc(C(C)(C)C)cc2)nc(N)c1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIXPAAYBCIMARN-NEUAGKQPSA-N", "SMILES:C[C@@H]1NC(=O)[C@@H](N(C)C(=O)[C@H](CCN)NC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)nc2N)c2ccc(OCCN)c(c2)-c2cc(ccc2OCCN)C[C@@H](C(=O)NCC#N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWAIFRFBIBUQGC-LCNUCDRWSA-N", "SMILES:Cc1nc(-c2ccc(C(C)(C)C)cc2)c(N)cc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZZFGFGBKMBMKK-XGXAUJSRSA-N", "SMILES:Cc1nc(-c2ccc(C(C)(C)C)cc2)cc(N)c1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXADWDSCVZYNHL-XTWSBXHQSA-N", "SMILES:Cc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)c1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBGGZGXPDXHSS-FJZCEMQGSA-N", "SMILES:Cc1nc(-c2ccc(C(C)(C)C)cc2)nc(C)c1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMFUANBQGIIRJE-ONIDLNDRSA-N", "SMILES:Cc1cc(-c2ccc(C(C)(C)C)cc2)ncc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUNFWQCELJQKNX-UFTNCSLPSA-N", "SMILES:Cc1nc(-c2ccc(C(C)(C)C)cc2)ccc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWSZOYGRBETAX-IDCYXTRLSA-N", "SMILES:Cc1cc(-c2ccc(C(C)(C)C)cc2)nc(C)c1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNOKZRYCHPSURW-WFXFPESJSA-N", "SMILES:Cc1nc(-c2ccc(C(C)(C)C)cc2)ncc1C(=O)N[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRZGRISICPSOA-YQAGWJQESA-N", "SMILES:CCC(c1cc(C)c2nc[nH]c2c1)n1cc(C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFZZSIOOGUCAEB-AQJFCTLQSA-N", "SMILES:O=C1Nc2ccc(Cl)c(F)c2[C@@]2(CCCN(C(=O)c3nnc(C(CC(F)(F)F)c4ccccc4)[nH]3)C2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZQMSZYVOYGZGO-LYIYLXCWSA-N", "SMILES:O=C1Nc2ccc(Cl)c(F)c2[C@@]2(CCCN(C(=O)c3nnc(C(c4ccccc4)C4CC4)[nH]3)C2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKFKFHBKRIBKM-HAWMADMCSA-N", "SMILES:CC[C@@H](c1cc(C)c2nc[nH]c2c1)c1n[nH]c(C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKFKFHBKRIBKM-WZQKQDCOSA-N", "SMILES:CC[C@H](c1cc(C)c2nc[nH]c2c1)c1n[nH]c(C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJCYQQRIIYESCE-KKFPZRRJSA-N", "SMILES:CCC(c1ccc2c(c1)COC2)c1nnc(C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSHNNYVDFHJVMJ-UHFFFAOYSA-N", "SMILES:Cc1ccnc2[nH]cc(C3=CCCN(C)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZVMEEZIJRBYQX-UHFFFAOYSA-N", "SMILES:COc1ccnc2[nH]cc(C3=CCCN(C)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZDBLDTIJHWHC-UHFFFAOYSA-N", "SMILES:Cc1cccc2[nH]cc(C3=CCCNC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVKMZPAQSMMYPF-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]cc(C3=CCCNC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOJWVVUZNUSCP-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]cc(C3=CCCN(C)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVDPQTIOXLYHMM-UHFFFAOYSA-N", "SMILES:C1=C(c2c[nH]c3cccc(-c4ccccc4)c23)CNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNGUQRONEZILFK-UHFFFAOYSA-N", "SMILES:Clc1ccc2[nH]cc(C3=CCCNC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSELQMKYGKUMQX-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2[nH]cc(C3=CCCNC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCDJXGIMPBFVQX-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(C3=CCCNC3)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWAUQTRUMWLABY-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]nc(C3=CCCNC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QABLUDYTCCKNRQ-UHFFFAOYSA-N", "SMILES:Clc1ccc2[nH]nc(C3=CCCNC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGGHIPHDWDVQSX-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]nc(C3=CCCNC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRFYGHFCSNGREN-UHFFFAOYSA-N", "SMILES:CN1CCC=C(c2n[nH]c3cc(F)ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJPXBPUOUSDBG-UHFFFAOYSA-N", "SMILES:CN1CCC=C(c2c[nH]c3c(Cl)c(F)ccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFGAEZHJXZHFC-UHFFFAOYSA-N", "SMILES:CN1CCC=C(c2n[nH]c3c(Cl)cc(F)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOWJZWITFSEAIC-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cl)c2[nH]nc(C3=CCCNC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNKNXXOTYSIXJT-UHFFFAOYSA-N", "SMILES:CN1CCC=C(c2n[nH]c3c(Cl)ccc(F)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLAZVKIXONQXRY-UHFFFAOYSA-N", "SMILES:C1=C(c2c[nH]c3cnccc23)CNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNCBJZSKAIQFIS-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3cc(NC(=O)c4ccccn4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMRULMLMQTRPR-GJYADEQXSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4cccc(Cl)c4)c3Cl)CC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADUSWAORGLLWAE-ODIUBACGSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4cncc(Cl)c4)c3Cl)CC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGSAUMZVUYDWGO-NPGVVQFXSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccccc4Cl)c3Cl)CC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAIIPJYEKWZKY-HMFCALDFSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccc(Cl)cc4Cl)c3Cl)CC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDKHYOFKYPMLL-QIPPXTIRSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccc(OC(F)(F)F)cc4Cl)c3Cl)CC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYTXSWVPAXOIQI-HMFCALDFSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccc(F)cc4F)c3Cl)CC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYHOZHWPCPSMFR-RTNKVPBISA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccc5ncn(CC(F)(F)F)c5c4)c3Cl)CC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJZRRGVNSJYDPM-NPGVVQFXSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4cnn5cccnc45)c3Cl)CC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNIOGFFUJELEC-MIWLNQLLSA-N", "SMILES:C[C@@H]1C[C@H](N2C(=N)N[C@](C)(c3cccc(-c4cccc(Cl)c4)c3Cl)CC2=O)CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKULQZNRBARYRL-SPEDKVCISA-N", "SMILES:C[C@@]1(c2cccc(-c3cccc(Cl)c3)c2Cl)CC(=O)N([C@H]2CCOC[C@@H]2O)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGXFAIZJBZYGGS-VNMLXUOPSA-N", "SMILES:C[C@@]1(c2cccc(-c3ccc(F)cc3F)c2Cl)CC(=O)N([C@H]2CCC(F)(F)[C@@H](O)C2)C(=N)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGYWZCATXLVHCO-ZYXJOJAPSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccc(F)cc4F)c3Cl)CC2=O)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AICIOOZJCRMIFK-AQKDONEWSA-N", "SMILES:CN(C)[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccc(F)cc4F)c3Cl)CC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILMXPKBEEIKSAB-HMFCALDFSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccc(F)cc4F)c3Cl)CC2=O)CCS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUDEXAUQLMTIR-LCAJTWGOSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccc(C5CC5)nc4)c3Cl)CC2=O)CCS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIRFFPCRVUPHFZ-HMFCALDFSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccc(OC(F)F)nc4)c3Cl)CC2=O)CCS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMXBUZBDKXFIJP-XUHFEKCNSA-N", "SMILES:C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(-c4ccc(OC(F)(F)F)nc4)c3Cl)CC2=O)CCS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKBNYBEIVWLPW-MWCAFGEISA-N", "SMILES:CNC(=O)C(=O)CC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPBHHITXNPUFJ-YGQOBNPJSA-N", "SMILES:CNC(=O)C(=O)CC[C@H](NC(=O)c1oc2ccccc2c1Cl)C(=O)Nc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPHMRUIYWOQCPE-RSWGASPJSA-N", "SMILES:CNC(=O)C(=O)CC[C@H](NC(=O)c1cc2c(Br)cccc2o1)C(=O)Nc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIKHDGHBZUISNQ-MWCAFGEISA-N", "SMILES:CNC(=O)C(=O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)Nc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVMHPQSXRUSBMY-JOUMFYFBSA-N", "SMILES:CNC(=O)C(=O)CC[C@H](NC(=O)c1cc2cc(Br)ccc2s1)C(=O)Nc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJAXNKZXVOYSKN-MCCNGCFQSA-N", "SMILES:CNC(=O)C(=O)CC[C@H](NC(=O)c1cc2cccc(F)c2s1)C(=O)Nc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMHHKVICSLFQL-CSRDCEPFSA-N", "SMILES:CNC(=O)C(=O)CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYDGLZIJUKDYQC-WSQDTAOQSA-N", "SMILES:CNC(=O)C(=O)CC[C@H](NC(=O)c1cc2c(F)c(F)ccc2[nH]1)C(=O)Nc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMHZRBFVLJDITN-ANBSYDGWSA-N", "SMILES:CNC(=O)C(=O)CC[C@H](NC(=O)c1[nH]c2ccccc2c1C)C(=O)Nc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFLNVUFMSZZEP-VDWCGFTNSA-N", "SMILES:CNC(=O)C(=O)CC[C@H](NC(=O)C1Cc2ccccc2C1)C(=O)Nc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBPPZPGDZRUOCB-UHFFFAOYSA-N", "SMILES:CCCCCOc1cccc(Nc2cccc(NC(C)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRXOGAHLCHVJY-UHFFFAOYSA-N", "SMILES:CCCCCCc1cccc(Nc2ccccc2NC(=O)CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUPBXRMSRCCBT-UHFFFAOYSA-N", "SMILES:CCCCCCc1cccc(Nc2cccc(NC(=O)CCl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURHUEDEICPTCI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2cccc(CCCCCC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOGMQVDRKGOPM-UHFFFAOYSA-N", "SMILES:CCCCCOc1cccc(Nc2cccc(NC(=O)CCl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNWDLKBRAQXNH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2cccc(OCCCCC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XILXNXLGPOHTBU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cccc(CCCCCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCARZKZWADQZBR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cccc(OCCCCC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDYKWYKIBZVPN-UHFFFAOYSA-N", "SMILES:OC1CCOc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGOWHEINHDKPDJ-UHFFFAOYSA-N", "SMILES:CCC1(O)CCOc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZTMUPFQNQDDJT-UHFFFAOYSA-N", "SMILES:OC1(C2CC2)CCOc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEIZCGGNLXQFC-UHFFFAOYSA-N", "SMILES:OC1(c2ccccc2)CCOc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYCJPMMFWPHVRX-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1C(O)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBUXNGJSWVLMX-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)cc2c1C(O)(c1ccccc1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQYQMWAHQCHGAU-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(C)c1C(C)(O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFGUPJNHEPCEHX-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2c(C#N)cnc3cc(OCCON4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNOGQHRAWNQBFA-HNNXBMFYSA-N", "SMILES:COCCOc1ccc(-c2cc(C(N)=O)c3ncnc(N[C@H]4CCCNC4)c3n2)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZWUHWFQRAPOH-HNNXBMFYSA-N", "SMILES:CS(=O)(=O)Cc1ccc(-c2cc(C(N)=O)c3ncnc(N[C@H]4CCCNC4)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSCAZKCQACGYMM-HNNXBMFYSA-N", "SMILES:NC(=O)c1cc(-c2ccc(C3(O)CC3)cc2)nc2c(N[C@H]3CCCNC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSNILODBJXUTPG-INIZCTEOSA-N", "SMILES:CN1CCN(c2ccc(-c3cc(C(N)=O)c4ncnc(N[C@H]5CCCNC5)c4n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZURRDVWZZSDI-LBPRGKRZSA-N", "SMILES:COc1ccccc1-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCOQQQUKUHJIZ-ZDUSSCGKSA-N", "SMILES:NC(=O)c1cc(-c2ccc(F)cc2)nc2c(N[C@H]3CCCNC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCWARRMZJNPRRV-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFRZLNJPHGVSG-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1c(C)noc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMMRXSMSQRTDTQ-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMWUFLXKUWOKL-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLVRCFCBXOUHV-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHSGALLDGNTPO-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJCSSWPGDDWCX-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccc2c(cnn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDMRUFVCHKCSW-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccc2c(ccn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDJVIQFKRBNFN-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYGLUACVFNYUTM-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccc2cnccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXSVEUIIYHZLW-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDDNUNRIRIGIF-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTXDJDKDBYOPX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(N)=O)ccc2SC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATQYPJALMQHOQ-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccc(F)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHKUORUYJNMGY-UHFFFAOYSA-N", "SMILES:CSc1c(F)cc(C(N)=O)cc1-c1ccc2c(cnn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGOAMZGDOYZAPE-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3cc(C(N)=O)ccc3SCc3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWMMURYFDHQFR-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3cc(C(N)=O)ccc3C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOSGQDDNPKMDEJ-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3cc(C(N)=O)ccc3NCc3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPAZAQWYFMQCO-UHFFFAOYSA-N", "SMILES:Cn1ncc2cc(-c3cc(C(N)=O)ccc3NCCCN3CCOCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJDRNFBXMEFSO-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(=O)O)cc1-c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTQXVRPLPOUNZ-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(=O)N2CCCCC2)cc1-c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOJACSSKDBLMB-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(=O)N2CCOCC2)cc1-c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATCIEWVFOVSSJ-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(N)=O)cc1-c1ccno1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWUQBTJQPCVNBF-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Oc1ccc2occ(-c3ccc(O)c(O)c3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXVSVROKBZNCU-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1ccc2c(=O)c(-c3ccc(O)c(O)c3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL393136", "category": ["biolink:ChemicalEntity"], "name": "POMIFERIN", "xref": ["InChIKey:GHCZYXUOYFOXIP-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C=CC(C)(C)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5439226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOGVUYMUPQXNPE-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1ccc2c(c1)OCC(c1ccc(O)c(O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKYXWFDIHUORJ-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1ccc2occ(-c3ccc(O)c(O)c3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRSYMHYTWUJKPS-UHFFFAOYSA-N", "SMILES:CCCCCCOc1ccc2c(=O)c(-c3ccc(O)c(O)c3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPRMCNRMTAGIRY-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2c(=O)c(-c3ccc(O)c(O)c3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDKCTVQTRUWMR-GCJKJVERSA-N", "SMILES:O=C(CCc1cc(-c2c(F)cc(F)cc2F)[nH]c1-c1ccc(Cl)cc1)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCVYHEUHZXPGKN-KDOFPFPSSA-N", "SMILES:O=C(CCc1cc(C2(C(F)(F)F)CC2)[nH]c1-c1ccc(C(F)(F)F)cc1)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHJCRXUASKHIU-KDOFPFPSSA-N", "SMILES:O=C(CCc1cc(C2(C(F)(F)F)CC2)[nH]c1-c1ccc(Cl)cc1)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONCTHCVTIYDQR-GCJKJVERSA-N", "SMILES:O=C(CCc1cc(-c2c(F)cc(F)cc2Cl)[nH]c1-c1ccc(Cl)cc1)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQQJILZFTJCEJB-DYVFJYSZSA-N", "SMILES:O=C(CCc1c(-c2ccc(Cl)cc2)[nH]c(C2(C(F)(F)F)CC2)c1F)N[C@@H]1C(=O)NC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWKMRGJUXLYXNH-BEFAXECRSA-N", "SMILES:CC(C)(C)c1cc(CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)c(-c2ccc(C(F)(F)F)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHMAOXGKXICDLU-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(N)n1nc(C3CC3c3nc4ccccc4n3C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKGVDLLHAFVIO-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(N)n1nc(C3CC3c3ccc4c(c3)CCNC4)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNTVXVTALKCEH-JOCQHMNTSA-N", "SMILES:COc1cccc2c1nc(N)n1nc([C@H]3C[C@H](c4ccc(C(C)(C)O)cn4)C3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWYZCAFTYAGRRP-HDJSIYSDSA-N", "SMILES:COc1cccc2c1nc(N)n1nc([C@H]3C[C@H](c4ncc(C(C)(C)N)cc4C)C3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKYQTROIBEYAD-HAQNSBGRSA-N", "SMILES:COc1cccc2c1nc(N)n1nc([C@H]3C[C@H](c4ncc(C(C)(C)N)cc4Cl)C3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFOMISHMTSXQNH-UHFFFAOYSA-N", "SMILES:COc1cccc2c1nc(N)n1nc(C3CCC(c4ccc(C(C)(C)N)cn4)C3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPIWTXHGNYJUDY-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1C(=O)CCC(c2ccncc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDRDHSBIQMQYCO-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(c2ccncc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COITVNGZLBZQQW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCC1(c2ccncc2)CCC(=O)N(CC)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRYTWJJTHHMAL-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2CC2(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL354401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRNHZIHRHWDZMX-UHFFFAOYSA-N", "SMILES:CCN1C(=O)C2CC2(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL174407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQPZWGQFMSPBG-UHFFFAOYSA-N", "SMILES:CCCN1C(=O)C2CC2(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL174909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXKAFJRRPFOCON-UHFFFAOYSA-N", "SMILES:CCCCN1C(=O)C2CC2(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTLSXSJMDCNPAK-UHFFFAOYSA-N", "SMILES:CCCCCN1C(=O)C2CC2(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL172263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCIAPBDASYVGDE-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C2CC2(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZPQUXRSMBWHH-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN1C(=O)C2CC2(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL369603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTQZOMXXMYPUIV-UHFFFAOYSA-N", "SMILES:Nc1ccc(C23CC2C(=O)N(Cc2ccccc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIWKQBAAMVQYSJ-UHFFFAOYSA-N", "SMILES:C=CCN1C(=O)C2CC2(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBABIYLWAJVPCT-UHFFFAOYSA-N", "SMILES:CC1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKRTXCPPNWSZFC-UHFFFAOYSA-N", "SMILES:CCCC1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUGUHLNOINKKGZ-UHFFFAOYSA-N", "SMILES:CC(C)C1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECRHMWBGLSDHM-UHFFFAOYSA-N", "SMILES:CCCCC1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIAOSCLHZAEKJK-UHFFFAOYSA-N", "SMILES:CC(C)CC1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVPNLZOHDJAEL-UHFFFAOYSA-N", "SMILES:CCC(C)C1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLOMQQDKBQIOE-UHFFFAOYSA-N", "SMILES:CCCCCC1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSQVFORGYDYVOK-UHFFFAOYSA-N", "SMILES:CC(C)CCC1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL287647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGVAXCBOVKXRA-UHFFFAOYSA-N", "SMILES:CCC(C)CC1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVNMDCLTBQVGIG-UHFFFAOYSA-N", "SMILES:CCCC(C)C1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWJXCBZWAWHJLE-UHFFFAOYSA-N", "SMILES:CCCCCCC1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSRMOQHQZPPFAZ-UHFFFAOYSA-N", "SMILES:CCCCCCCC1(c2ccc(N)cc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWGXZRCYVSEOA-UHFFFAOYSA-N", "SMILES:Nc1ccc(C23CC(C2)C(=O)NC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXRDNGWQLOVWDB-UHFFFAOYSA-N", "SMILES:CCCN1C(=O)C2CC(c3ccc(N)cc3)(C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWCVLZIBZTWEBQ-UHFFFAOYSA-N", "SMILES:CC(C)CN1C(=O)C2CC(c3ccc(N)cc3)(C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWUFKSYPXUMCMD-UHFFFAOYSA-N", "SMILES:CCCCCN1C(=O)C2CC(c3ccc(N)cc3)(C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTBBDJCFJAIDL-UHFFFAOYSA-N", "SMILES:CCCCCCCN1C(=O)C2CC(c3ccc(N)cc3)(C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOPQWDIRWRILY-UHFFFAOYSA-N", "SMILES:CCCCCCCCN1C(=O)C2CC(c3ccc(N)cc3)(C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQMGXUVJMQNZGE-UHFFFAOYSA-N", "SMILES:Nc1ccc(C23CC(C2)C(=O)N(C2CCCCC2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFTKDYKJDAOHOX-UHFFFAOYSA-N", "SMILES:Nc1ccc(C23CC(C2)C(=O)N(Cc2ccccc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAWVIQDXAVWARG-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2C(=O)C3CC(c4ccc(N)cc4)(C3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKJWHWUDVQATH-GFCCVEGCSA-N", "SMILES:CC[C@]1(c2ccncc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL124230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMYEZUUFHMJSY-TVQRCGJNSA-N", "SMILES:CC[C@]1(c2ccncc2)C[C@H](C)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL124118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMYEZUUFHMJSY-NOZJJQNGSA-N", "SMILES:CC[C@]1(c2ccncc2)C[C@@H](C)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL333185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZNVKGHVAKQJM-BLLLJJGKSA-N", "SMILES:CCCC[C@H]1C[C@](CC)(c2ccncc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMESRHWFJJFVEB-OXJNMPFZSA-N", "SMILES:CCCCCCCC[C@H]1C[C@](CC)(c2ccncc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL123494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPKJZBJJMEZOA-LAUBAEHRSA-N", "SMILES:CCCCCCCCC[C@H]1C[C@](CC)(c2ccncc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXNNUYDUWHPTRU-GOSISDBHSA-N", "SMILES:CCCCCCCC[C@]1(c2ccncc2)CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL338746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNELUXVQPBSMQH-BKMJKUGQSA-N", "SMILES:CCCCCCCC[C@H]1C[C@](CCCCCCCC)(c2ccncc2)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIOBWMINFTUHC-UHFFFAOYSA-N", "SMILES:CCCN1C(=O)CC(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSGFQCCHQUTEE-UHFFFAOYSA-N", "SMILES:CCCCN1C(=O)CC(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBQRUABQPCXJI-UHFFFAOYSA-N", "SMILES:CCCCCN1C(=O)CC(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLOJWVADNLRENI-UHFFFAOYSA-N", "SMILES:CCCCCCN1C(=O)CC(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCDPSADDIIHSAV-UHFFFAOYSA-N", "SMILES:CCCCCCCN1C(=O)CC(c2ccc(N)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJUUVUVUVMMXKE-UHFFFAOYSA-N", "SMILES:CCCC1(c2ccc(N)cc2)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZEKNTXMXDXSAL-UHFFFAOYSA-N", "SMILES:CCCCC1(c2ccc(N)cc2)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLGMYSOMJBAKL-UHFFFAOYSA-N", "SMILES:CCCCCC1(c2ccc(N)cc2)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKGQMQODMFRHPW-UHFFFAOYSA-N", "SMILES:CCCCCCC1(c2ccc(N)cc2)CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTLWBJJLJWBQSI-UHFFFAOYSA-N", "SMILES:CCCCCCCC1(c2ccc(N)cc2)CC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRADTKAUXQUOIJ-UHFFFAOYSA-N", "SMILES:c1ccc2c(Cn3ccnc3)c[nH]c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL115899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIFZBAPVHIJQJ-UHFFFAOYSA-N", "SMILES:CCn1cc(Cn2ccnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQMVAFITXRSCK-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2cc(Cn3ccnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UATRYCOWVUVKJI-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2cc(Cn3cncn3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVBZEIJIFOQJU-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2cc(Cn3cnnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQXLKIBAWWFRU-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2cc(Cn3ccnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZEGQAZOCNYQPI-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2cc(Cn3ccnn3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLYPYBLXVKZSPD-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2cc(Cc3c[nH]nn3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKDBTUJWJRVOR-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2cc(Cn3ccnn3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1094428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCFTAIJXUXUPH-UHFFFAOYSA-N", "SMILES:CCn1cc(C(c2ccccc2)n2ccnc2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1997104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWZMYGOOTZWBS-UHFFFAOYSA-N", "SMILES:CCn1cc(C(c2ccc(Cl)cc2)n2ccnc2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRAFDKROIAAMC-UHFFFAOYSA-N", "SMILES:CCn1cc(C(c2ccccc2)n2ccnn2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRCFZIKOVJCQQ-UHFFFAOYSA-N", "SMILES:CCn1cc(C(c2ccc(Cl)cc2)n2ccnn2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDSQCBXGPUEQBI-UHFFFAOYSA-N", "SMILES:Brc1ccccc1Cn1cc(Cn2ccnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUVWEVSOICPVHG-UHFFFAOYSA-N", "SMILES:Brc1cccc(Cn2cc(Cn3ccnc3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULGBEQNTNFKWJX-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(Cn3ccnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJNICRFJOKDRL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(Cn3ccnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRVJVLCSGMHFDU-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(Cn3cncn3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLQOBAQDLJOBKS-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Cn1cc(Cn2ccnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHFSKLZJGUKJE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2cc(Cn3ccnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL111888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUWGVOJFHFMVCW-UHFFFAOYSA-N", "SMILES:CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDFPJBCGAJMIS-UHFFFAOYSA-N", "SMILES:CCn1c(C(c2ccc(F)cc2)n2ccnc2)c(C)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORQZPXHOQCAFD-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(C(c3ccccc3)n3ccnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHABPMUKMVYRLG-UHFFFAOYSA-N", "SMILES:CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL111868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPZRTARLLMWAH-UHFFFAOYSA-N", "SMILES:Cn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUILDCCEKAPXPV-UHFFFAOYSA-N", "SMILES:CCn1ccc2cc(C(c3ccccc3)n3ccnc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIGTACSUNMYAA-UHFFFAOYSA-N", "SMILES:CCn1ccc2cc(C(c3ccc(F)cc3)n3ccnc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGFYQVEYNRUHE-UHFFFAOYSA-N", "SMILES:CCN1CCc2cccc(C(Cc3ccc(F)cc3)n3ccnc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAHLSJSZLRPGAH-UHFFFAOYSA-N", "SMILES:CCN1CCc2cccc(C(Cc3cccc(Cl)c3)n3ccnc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLVFZVDJNUZBQ-UHFFFAOYSA-N", "SMILES:CCN1CCc2cc(Br)cc(C(Cc3ccc(F)cc3)n3ccnc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZRCAHCFGVWZKL-UHFFFAOYSA-N", "SMILES:CCN1CCc2cc(Cl)cc(C(Cc3ccc(F)cc3)n3ccnc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMMIUPHAXQEZCD-UHFFFAOYSA-N", "SMILES:CCN1CCc2cccc(C(Cc3ccc(F)cc3)n3ccnn3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOTGCHUERAJUDA-UHFFFAOYSA-N", "SMILES:CCn1ccc2cccc(C(Cc3ccc(F)cc3)n3ccnc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEGFLPZCVCFAB-UHFFFAOYSA-N", "SMILES:CCn1ccc2cccc(C(Cc3cccc(Cl)c3)n3ccnc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPTSBRMWWWJMQZ-UHFFFAOYSA-N", "SMILES:CCn1ccc2cccc(C(Cc3ccc(Cl)cc3)n3ccnc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBTRRFCWWCBQHJ-UHFFFAOYSA-N", "SMILES:CCn1ccc2cccc(C(Cc3ccc(Br)cc3)n3ccnc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBDXTWPEHKMOI-UHFFFAOYSA-N", "SMILES:CCn1ccc2cc(Br)cc(C(Cc3ccc(F)cc3)n3ccnc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBVUYMHBOEJEJ-UHFFFAOYSA-N", "SMILES:OC(c1cn(Cc2ccccc2Cl)c2ccccc12)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHQCITGLWUMMFS-UHFFFAOYSA-N", "SMILES:OC(c1cn(Cc2ccccc2F)c2ccccc12)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQQBRKODWZZMMD-UHFFFAOYSA-N", "SMILES:OC(c1cn(Cc2cccc(F)c2)c2ccccc12)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMQDYYVSDDHPEL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2cc(C(O)n3ccnc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDIWXGPHSQSHLM-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Cn1cc(Cn2ccnn2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHOYSGOTQXWEDQ-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Cn1cc(Cc2c[nH]nn2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AONCJLNNZAFEKX-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cn1cc(Cn2ccnn2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUSFLVGGVLYAE-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cn1cc(Cc2c[nH]nn2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJTXLHDFMZJUEV-UHFFFAOYSA-N", "SMILES:Fc1cccc(Cn2cc(Cn3ccnn3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHODHJMCKHSQV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2cc(Cn3ccnn3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNOOQPTURNZWHV-UHFFFAOYSA-N", "SMILES:CCn1cc(C(Cc2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJWLIJRGNASTF-UHFFFAOYSA-N", "SMILES:CCn1cc(C(Cc2ccc(Cl)cc2Cl)n2ccnc2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNWLHTWBDIDYER-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CC(c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)n1ccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJGCPOIOFNAQSA-UHFFFAOYSA-N", "SMILES:Fc1ccc(CC(c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)n2ccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCUFGTSUWLZNGY-UHFFFAOYSA-N", "SMILES:Fc1ccc(CC(c2ccc3[nH]ccc3c2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGBBPAKPBGNQSP-UHFFFAOYSA-N", "SMILES:Clc1ccc(CC(c2ccc3[nH]ccc3c2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFOPFROIROIJNB-UHFFFAOYSA-N", "SMILES:Clc1cccc(CC(c2ccc3[nH]ccc3c2)n2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTSSQWFEJZYEKH-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(C(Cc3ccc(Br)cc3)n3ccnc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBTXRXLSFVJLY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CC(c2ccc3cc[nH]c3c2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYUZVWFVNVXVGJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CC(c2ccc3cc[nH]c3c2)n2ccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMQXQLYBSZEIPP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CC(c2cccc3[nH]ccc23)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGHSXXQAUNCOB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CC(c2cccc3[nH]ccc23)n2ccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HURVCSZEPAUJPD-UHFFFAOYSA-N", "SMILES:CCn1c(C(Cc2ccc(F)cc2)n2ccnn2)c(C)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYRJIQMMPKVSI-UHFFFAOYSA-N", "SMILES:CCn1c(C(Cc2ccccc2)n2ccnc2)c(C)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZMRDBCZJAHTQ-UHFFFAOYSA-N", "SMILES:CCn1c(C(Cc2ccccc2)n2ccnn2)c(C)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCELZTLBFIFJKA-UHFFFAOYSA-N", "SMILES:CCn1c(C(Cc2cccc(Cl)c2)n2ccnc2)c(C)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUHCJSCWZFRBB-UHFFFAOYSA-N", "SMILES:CCn1c(C(Cc2cccc(Cl)c2)n2ccnn2)c(C)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZLKXADTQWNIOG-UHFFFAOYSA-N", "SMILES:CCn1c(C(Cc2ccc(Cl)cc2)n2ccnc2)c(C)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKARTCUVJTAET-UHFFFAOYSA-N", "SMILES:CCn1c(C(Cc2ccc(Cl)cc2)n2ccnn2)c(C)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSFGRRKKXPLVLX-UHFFFAOYSA-N", "SMILES:CCn1c(C(Cc2ccc(F)cc2)n2ccnc2)c(C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWRUYFOOQCOAIU-UHFFFAOYSA-N", "SMILES:CCn1cc(C(Cc2ccc(F)cc2)n2ccnc2)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKSLYYGIHOZJK-UHFFFAOYSA-N", "SMILES:CCn1cc(C(Cc2ccc(F)cc2)n2ccnc2)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAJUMDKVXDHWMU-UHFFFAOYSA-N", "SMILES:CCn1cc(C(Cc2ccc(F)cc2)n2ccnc2)c2cc(C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTHCTKUIZRUQU-UHFFFAOYSA-N", "SMILES:CCCn1cc(C(Cc2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMCBSOITCOTAB-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(Cc2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLKKVIBRJCEKE-UHFFFAOYSA-N", "SMILES:CCn1c(C)c(C(Cc2ccc(F)cc2)n2ccnc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGPGHKYKNBAKX-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccncc2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTFJCDWGHSIXMP-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2CCC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJBYWJCQGXHFI-SDNWHVSQSA-N", "SMILES:O=C1/C(=C/c2ccncc2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQEDVMDTNOBJHU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2CCC1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZBEORDIJCZRU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2CCC1CCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMZPMBQMGVDNV-DTQAZKPQSA-N", "SMILES:O=C1/C(=C/c2ccncc2)CCc2c1ccc1c2CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNAPGGQTVKMYIU-UHFFFAOYSA-N", "SMILES:O=C1c2ccc3c(c2CCC1Cc1ccncc1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTPKCMXGFOLKOP-ACCUITESSA-N", "SMILES:COc1cccc2c1CC/C(=C\\c1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPPSFGJYGIXDS-GXDHUFHOSA-N", "SMILES:COc1ccc2c(c1)C(=O)/C(=C/c1ccncc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL92488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFSNVYEWQOKMD-ZRDIBKRKSA-N", "SMILES:O=C1/C(=C/c2ccncc2)CCc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAWOKMLNLQMFGL-UKTHLTGXSA-N", "SMILES:O=C1/C(=C/c2ccncc2)CCc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAARKAYZOWLPBX-UKTHLTGXSA-N", "SMILES:O=C1/C(=C/c2ccncc2)CCc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOADSSZXGUESA-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCC(Cc1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZAXGEUGIMTWAG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCC(Cc1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXAWXANZSWKBCL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)C(Cc1ccncc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAOQXQRTKZYREH-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(O)c2CCC1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJEWMXPEINISGE-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(O)cc2CCC1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSFHWMUYSQTSF-UHFFFAOYSA-N", "SMILES:O=C1c2cc(O)ccc2CCC1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFLITIQLRTXBDW-LCYFTJDESA-N", "SMILES:O=C1/C(=C\\c2ccncc2)Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLNUULCDSCFID-XFXZXTDPSA-N", "SMILES:COc1cccc2c1C/C(=C/c1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXGNPXHVZUSSGT-JYRVWZFOSA-N", "SMILES:COc1ccc2c(c1)C/C(=C/c1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQBDUNUCJDXMNP-FLIBITNWSA-N", "SMILES:O=C1/C(=C\\c2ccncc2)Cc2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGMRMOPTFCLKQ-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2CC1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XENHQKHMSKWYCD-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CC(Cc1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKUPXKYZDOQZHE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(Cc1ccncc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BACTUNZVDVACML-UHFFFAOYSA-N", "SMILES:O=C1c2cccc(O)c2CC1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBNIMNDGESXBEA-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(O)cc2CC1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZYPOFQRPJSQFH-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CC(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWGVMBXLLOSDHC-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CC(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTULJXWJFSDNIU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFZHKWCZQZHQP-UHFFFAOYSA-N", "SMILES:Oc1cccc2c1CC(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQVIVKTTYYDAGR-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CC(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL24233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDLCMFYBJRLDLN-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCC(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNJGYRHMDVPIGY-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCC(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOOFYVHUUHEJPP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCC(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZHOQKDHEAQBHY-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(Cc1ccncc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPBWKLWEIPQUBK-UHFFFAOYSA-N", "SMILES:Oc1cccc2c1CCC(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOYYGGIWRKOTDQ-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CCC(Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELFRHFKJCAOCF-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CC(Cc1ccncc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIGVLQBCXKAGG-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCC1C(c3ccncc3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL66673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKRUGLDSWESLZ-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCC1C(c3ccncc3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL67842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRAQKPNFIIARNA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCC1C(c3ccncc3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL294361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPZLSAZRILMQEG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C1C(CC2)C1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL66867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWVMCDDVNUTGNI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C1C(CC2)C1(C)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLXPOBZDYHEQIS-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)c2c1CCC1C(c3ccncc3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL419619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKRNEVWSNKCMMT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Br)CCC1C(c3ccncc3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL65590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHVIXHADLSTRNY-UHFFFAOYSA-N", "SMILES:Oc1cccc2c1CCC1C(c3ccncc3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBWFLFXHMHHCP-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)CCC1C(c3ccncc3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL304583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJLBISYUFEUTM-UHFFFAOYSA-N", "SMILES:Oc1ccc2c(c1)C1C(CC2)C1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL168636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGOMCZTOHRVAC-GXDHUFHOSA-N", "SMILES:O=C1/C(=C/c2cccnc2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOSPZARVJVZJGA-FMIVXFBMSA-N", "SMILES:O=C1/C(=C/c2cnccn2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL169086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKXWCPVLXHAWNA-YRNVUSSQSA-N", "SMILES:O=C1/C(=C/c2cncs2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLLEPDOPRKCHB-PKNBQFBNSA-N", "SMILES:O=C1/C(=C/c2cc[nH]n2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL168434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEHNFQNDEFTGRO-YRNVUSSQSA-N", "SMILES:O=C1/C(=C/c2c[nH]cn2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL168444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUQBHJIRSEQES-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2CCC1C(O)c1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRKOWDMRFAGLGC-UHFFFAOYSA-N", "SMILES:c1cncc(C2C3CCc4ccccc4C32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL353068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIORVGNTSODCHF-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCC1C(c3cc[nH]n3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL352645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRSOAPYTPOYVTE-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCC1C(c3c[nH]cn3)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCINRAXQGOFNS-UHFFFAOYSA-N", "SMILES:Cc1c(Cn2ccnc2)ccc2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUGORYWOIFTCLP-UHFFFAOYSA-N", "SMILES:Cc1c(Cn2ccnc2)ccc2c(F)cc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOTWUISZRGXLNI-UHFFFAOYSA-N", "SMILES:COc1cc2ccc(Cn3ccnc3)c(C)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIVKRWSGSZUAJT-UHFFFAOYSA-N", "SMILES:COc1c(F)cc2c(C)c(Cn3ccnc3)ccc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1098424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFBANCVOUQRQEX-UHFFFAOYSA-N", "SMILES:Fc1ccc2ccc(Cn3ccnc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTZYLGZXDDFOH-UHFFFAOYSA-N", "SMILES:Fc1cc(F)c2ccc(Cn3ccnc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBVQPUHALRCDO-UHFFFAOYSA-N", "SMILES:COc1cc2ccc(Cn3ccnc3)cc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVFTBCXTHBDRM-UHFFFAOYSA-N", "SMILES:COC1C(F)=Cc2cc(Cn3ccnc3)ccc2C1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUJHDJQMUSZJHX-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(Cn3ccnc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL351271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUNLYGEACGPFE-UHFFFAOYSA-N", "SMILES:c1ccc2cc(Cn3ccnc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL102409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSUUATIRTFQGHC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccncc1)OC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKAHXGOZOPYCMD-BJHJDKERSA-N", "SMILES:C[C@H]1CC[C@@H](OC(=O)Cc2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXWFJOQWZXQYJJ-XBXGTLAGSA-N", "SMILES:CC[C@H]1CC[C@@H](OC(=O)Cc2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKQALCFUJBVZDS-SHTZXODSSA-N", "SMILES:CC(C)(C)[C@H]1CC[C@H](OC(=O)Cc2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISHUODUEYEKEY-UHFFFAOYSA-N", "SMILES:CC1CCCCC1OC(=O)Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJKRKBRDCTLLB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccncc1)OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQXIKNMAZJCOC-UHFFFAOYSA-N", "SMILES:CC1CCC(OC(=O)Cc2ccncc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMEZSWOUANEVQS-IMJJTQAJSA-N", "SMILES:CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOLMHCDANGSDCC-XQQFMLRXSA-N", "SMILES:O=C(Cc1ccncc1)O[C@H]1C[C@H]2CC[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSQKKDPESVFIHD-JJRVBVJISA-N", "SMILES:CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)Cc1ccncc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYHFPSGWNXSFBI-FAAHXZRKSA-N", "SMILES:C[C@@H]1[C@H]2C[C@@H](C[C@H]1OC(=O)Cc1ccncc1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBIQTFNBKFLKU-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccncc1)OC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYICJGIGXCMFA-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccncc1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCMWUBIRHHJSF-UHFFFAOYSA-N", "SMILES:CC(C)CCOC(=O)Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCGYDQQWQVOYFJ-UHFFFAOYSA-N", "SMILES:CC(C)CC(C)OC(=O)Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL102981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSBLVRUYCSEGN-UHFFFAOYSA-N", "SMILES:CC(C(=O)OC1CCCCC1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEEFXNAGBDWRRT-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)OC1CCCCC1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOFVRZMZPUPPE-FHIHXZLISA-N", "SMILES:C[C@@H]1[C@@H](OC(=O)Cc2ccncc2)C[C@H]2C[C@]1(C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPONYRJSJHDHY-HFOAVAATSA-N", "SMILES:CC(C(=O)O[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTHXYOOKKNMAKX-UKMLZYKCSA-N", "SMILES:C[C@@H]1[C@@H](OC(=O)C(C)(C)c2ccncc2)C[C@H]2C[C@@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYOHYUJKKANCJA-UJNGKHMWSA-N", "SMILES:CCC(C(=O)O[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLHLEBGVBKWUDV-RANZSIQMSA-N", "SMILES:CCC(CC)(C(=O)O[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGVKZSGUMRFAO-DSIDUYFZSA-N", "SMILES:C[C@@H]1CC[C@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@@]3(C)OC(=O)Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRPAJWFXOHLDS-ATGSNQNLSA-N", "SMILES:C[C@@H]1[C@@H](OC(=O)Cc2cccnc2)C[C@H]2C[C@@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFXSOGYCIGJBD-HFOAVAATSA-N", "SMILES:CC(C(=O)O[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGLBWWJBMOOWAU-UKMLZYKCSA-N", "SMILES:C[C@@H]1[C@@H](OC(=O)C(C)(C)c2cccnc2)C[C@H]2C[C@@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQPRCUJWNYUGC-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL134509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYONNYNHGZKZBP-UHFFFAOYSA-N", "SMILES:CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3084924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBGZAEICQRQMAF-UHFFFAOYSA-N", "SMILES:CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3084923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHPHHPFRHSBYCP-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBOVQTPDHFPEFS-DSIDUYFZSA-N", "SMILES:C[C@@H]1CC[C@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@@]3(C)OC(=O)Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOSXQOBRKSDHDV-ZKEBBBNJSA-N", "SMILES:C[C@@H]1CC[C@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@@]3(C)OC(=O)C(C)(C)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTVWIRXFELQLPI-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL9687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYESEQLQFXUROZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1ccccc1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL274318", "category": ["biolink:ChemicalEntity"], "name": "FLAVANONE", "xref": ["InChIKey:ZONYXWQDUYMKFB-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Oc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL97542", "category": ["biolink:ChemicalEntity"], "name": "7-HYDROXYFLAVANONE", "xref": ["InChIKey:SWAJPHCXKPCPQZ-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccccc2)Oc2cc(O)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL307893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBHXYTNGIZCORC-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL88169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIONOLUJZLIMTK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL276473", "category": ["biolink:ChemicalEntity"], "name": "4'-HYDROXYCHALCONE", "xref": ["InChIKey:UAHGNXFYLAJDIN-IZZDOVSWSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL491692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDTIWXQUWIKIMB-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(O)cc1)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKSTZADJBEXSQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL161230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWRXOKSEHSFWNH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2ccnc2)c2occc(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL351167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKATXTHPSQAGQZ-UHFFFAOYSA-N", "SMILES:O=c1ccoc2c(Cn3ccnc3)ccc([N+](=O)[O-])c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL161530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFIAVSWVXIKAW-UHFFFAOYSA-N", "SMILES:O=c1ccoc2c(Cn3ccnc3)ccc(Br)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL421149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNFMJFCMHIQSTD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2ccnc2)c2oc3ccccc3c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL159073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLTNBMDVMUSXHQ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2c(Cn3ccnc3)ccc([N+](=O)[O-])c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL421829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPCAMTPMSZHJLT-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(Br)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL442373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILCZWQUJENBNHZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2ccnc2)c2c(=O)c3ccccc3oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKGUMSNSPMTJMS-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2c([N+](=O)[O-])ccc(Cn3ccnc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOFOSXNENLIKT-UHFFFAOYSA-N", "SMILES:O=c1ccoc2cc(Cn3ccnc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL157925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCWBRMMGXVBEU-UHFFFAOYSA-N", "SMILES:O=c1ccoc2cc(Cn3cnnc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL350922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFCUIFVKCOEHQN-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2oc2cc(Cn3ccnc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL158635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXJJJDBWGBTNJP-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c(Cn3ccnc3)c(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKSIHNIWAQEKC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1ccccc1OC)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETISVQJYRETIF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1cccc(O)c1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJOSVTQXBSSCMQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1ccc(O)cc1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3401429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBRZHLWALXQHQA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1ccc(O)c(O)c1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5434837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLSJZPCMWWTBO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5426214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQVBNAQKIDLQX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1ccc(O)c(OC)c1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5420745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANOVVDYIQGYSKO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1cc(O)cc(O)c1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNKKJSANGUCFHH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1cccc(OC)c1OC)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5418934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBIJGBGFCIDZKC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1ccc(OC)cc1OC)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXYUOYQBJCJYOZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)OC(c1ccc(OC)c(OC)c1OC)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL185809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMBERJAQJNTQF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c(-c3ccccc3)c(SCc3ccncc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDRBMTDNAZIORH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c(-c3ccccc3)c(SCc3cccnc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILINAMZYBUFFDT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c(-c3ccc(C)cc3)c(SCc3ccncc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXRYBTCTRUEJJT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(SCc3ccncc3)oc3cc(OC)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL188664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LETKTNKPQWCFSX-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL186079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLOJJLAHGWEVQX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(SCc3ccncc3)oc3cc(OCc4ccccc4)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGXSOGQPINBRFJ-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL364326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMNZDARZMIOOHP-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)c(SCc2cccnc2)oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDKECPLBRDXTH-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(O)cc2)c(SCc2ccncc2)oc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL187068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFZBGAQKAVZSP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(SCc3ccncc3)oc3cc(O)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBGGTIYYIGXEIP-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(n1)-c1ccccc1C2n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL387518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPNFJWMHLRZIW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2nnc(Cn3ccnc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULIZIRHYBBLAI-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)-c1ccccc1C2n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNCKVRPGVMTVNH-UHFFFAOYSA-N", "SMILES:c1ccc(C2(n3ccnc3)c3ccccc3-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL376371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVOFEYRUEAXEJQ-UHFFFAOYSA-N", "SMILES:c1ccc(C2(n3cncn3)c3ccccc3-c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHYOLVJGIGSDJJ-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(Cn3ccnc3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL427247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOWQJCOJWDYZNR-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2ccnc2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXGZIFUPFPVCQO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Cn3ccnc3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKQGVQVAAIZHDN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Cn3cnnc3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXJNKMWQNZHBOE-UHFFFAOYSA-N", "SMILES:O=c1cc(OCCn2ccnc2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEMZVLLWFHEIAM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OCCn3ccnc3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL437731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYHNARLSZKQAR-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTEPOVPUOGMDPA-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2ccnc2)c2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYELJSUQTAUCCY-UHFFFAOYSA-N", "SMILES:O=c1ccc2cc(Cn3ccnc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXFIMHPPOABVMO-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(Cn3ccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNOHKXDGPHNOX-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(Cn3cnnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL390152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOCDQIZOPYANC-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCn3ccnc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL223983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNYYJNBQFWQBPK-UHFFFAOYSA-N", "SMILES:COc1ccc2ccc(=O)oc2c1Cn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEYZDEAPEBHISK-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c(Cn2ccnc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNUCUIJPALCQFL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(-c3ccccc3)c(Cn3ccnc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVOYZQRBNJWPZ-UHFFFAOYSA-N", "SMILES:O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUPWCRFJOVHQKN-UHFFFAOYSA-N", "SMILES:S=c1ccc2cc(Cn3ccnc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4553272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMRILMPPGUTTE-XNTDXEJSSA-N", "SMILES:COc1ccc(/C=C/c2c(CC=C(C)C)c(O)cc(O)c2CC=C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIRQGJIFQAESV-XYOKQWHBSA-N", "SMILES:COc1ccc(/C=C/c2c(CC=C(C)C)c(O)cc(O)c2CC=C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMRILMPPGUTTE-GDNBJRDFSA-N", "SMILES:COc1ccc(/C=C\\c2c(CC=C(C)C)c(O)cc(O)c2CC=C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIRQGJIFQAESV-WQLSENKSSA-N", "SMILES:COc1ccc(/C=C\\c2c(CC=C(C)C)c(O)cc(O)c2CC=C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMMDMUAWYSELG-XYOKQWHBSA-N", "SMILES:CC(C)=CCc1c(O)cc2c(c1/C=C/c1ccc(O)cc1)CC(C(C)(C)O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGIXEAFIHFETE-UKTHLTGXSA-N", "SMILES:COc1ccc(/C=C/c2c(CC=C(C)C)c(O)cc3c2CC(C(C)(C)O)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRDGIVKTLEEBW-YFHOEESVSA-N", "SMILES:COc1ccc(/C=C\\c2c(CC=C(C)C)c(O)cc3c2CC(C(C)(C)O)O3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCGBIASDVDADJ-JXMROGBWSA-N", "SMILES:COc1ccc(/C=C/c2c(CC=C(C)C)c(O)cc3c2CCC(C)(C)O3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMPKRIXIFMQLX-UKTHLTGXSA-N", "SMILES:COc1ccc(/C=C/c2c(CC=C(C)C)c(O)cc3c2CC(O)C(C)(C)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCPDDLQCMCTZES-JXMROGBWSA-N", "SMILES:COc1ccc(/C=C/c2c(CC=C(C)C)c(O)cc3c2CC(O)C(C)(C)O3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCGBIASDVDADJ-YFHOEESVSA-N", "SMILES:COc1ccc(/C=C\\c2c(CC=C(C)C)c(O)cc3c2CCC(C)(C)O3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKMURXEFQNMQG-WQLSENKSSA-N", "SMILES:CC(C)=CCc1c(O)cc2c(c1/C=C\\c1ccc(O)cc1)CCC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBAVIAHZZINYON-UKTHLTGXSA-N", "SMILES:COc1ccc(/C=C/c2c(CC=C(C)C)c(O)cc(O)c2CC(O)=C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVISFEVJSMZJBU-UHFFFAOYSA-N", "SMILES:CCCCCc1c(CC=C(C)C)c(O)cc(O)c1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTVXRRAAXZXGQT-NTEUORMPSA-N", "SMILES:CC(C)=CCc1c(O)cc(O)c(CC=C(C)C)c1/C=C/c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFJUDTWKJHYNX-IBGZPJMESA-N", "SMILES:COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL52509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNKKYLTOSVDJG-UHFFFAOYSA-N", "SMILES:c1cnc2c(c1)C(n1ccnc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL300109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFGSPJCAHNGXLH-UHFFFAOYSA-N", "SMILES:c1cnc2c(c1)C(Cn1ccnc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVAOHPCQHIOCSM-UHFFFAOYSA-N", "SMILES:C1=C(Cn2ccnc2)c2cccnc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDLANZEXFQJSQ-UHFFFAOYSA-N", "SMILES:c1cnc2c(c1)C(CCn1ccnc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL293122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJMSMHXCSIBVSA-UHFFFAOYSA-N", "SMILES:C1=C(CCn2ccnc2)c2cccnc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL54803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVFNKJKCERQPJI-UHFFFAOYSA-N", "SMILES:c1cc(CCn2ccnc2)c2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHDGKMFQQWLPU-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)CCCC2CCn1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZIACHPSWDVDES-UHFFFAOYSA-N", "SMILES:c1cnc2c(c1)C(CCCn1ccnc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL53290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHKBLBMCCJQROB-UHFFFAOYSA-N", "SMILES:C1=C(CCCn2ccnc2)c2cccnc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVKZSDUMIXCAZ-UHFFFAOYSA-N", "SMILES:c1cn(CCC2CCCc3occc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXSCOZUNSFZLHG-UHFFFAOYSA-N", "SMILES:c1cn(CCC2CCCc3sccc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL55083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZCDINNUVENGR-NYYWCZLTSA-N", "SMILES:C(\\Cn1ccnc1)=C1\\CCCc2occc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTWVMBTFHJSGO-NYYWCZLTSA-N", "SMILES:C(\\Cn1ccnc1)=C1\\CCCc2sccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL460382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEWHOUCPWZPPGK-UHFFFAOYSA-N", "SMILES:c1cc(CCn2ccnc2)c2ccsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL301608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNKWNOHUYIKBAS-UHFFFAOYSA-N", "SMILES:c1cnc2c(c1)CCCC2n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YACWDKFXWATANA-UHFFFAOYSA-N", "SMILES:c1cc2cc(-n3ccnc3)ccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFBKXRXNGANUOF-UHFFFAOYSA-N", "SMILES:c1cc2cc(Cn3ccnc3)ccc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1642686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNDIHAVRCIBCC-MDZDMXLPSA-N", "SMILES:Nc1cccc(/C=C/c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGXSMOLBWHIQA-ZZXKWVIFSA-N", "SMILES:COc1ccc(OC)c(/C=C/c2ccc(N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL324290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGVZJSLFOMGJOS-ONEGZZNKSA-N", "SMILES:COc1cc(/C=C/c2ccc(N)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL87477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWXBWYJFAGYFKS-SNAWJCMRSA-N", "SMILES:COc1cc(/C=C/c2ccc(N)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPBGPLITZFWJL-RMKNXTFCSA-N", "SMILES:COc1cccc(/C=C/c2ccc(N)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZBHUQXSCSKNPL-RQZCQDPDSA-N", "SMILES:COc1cc(/C=C(\\Cn2ccnc2)c2ccc(N)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRFAISVLMWANDO-OWOJBTEDSA-N", "SMILES:Nc1ccc(/C=C/c2cc(N)cc(N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRZFJBWGNUYOJJ-QPJJXVBHSA-N", "SMILES:COc1cc(/C=C/c2ccc(N)cc2)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QERWBDJMMUMFOT-ONEGZZNKSA-N", "SMILES:CC(=O)Oc1cc(/C=C/c2ccc(N)cc2)cc(OC(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDMGRJBNVVXAAX-OWOJBTEDSA-N", "SMILES:Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHCXXPEJIRXPM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(OC)cc1CCc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKSGIFOQJTVSN-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEJNYOQOZUXCOG-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2ccc(N)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDUTXYLPODCITG-OWOJBTEDSA-N", "SMILES:Nc1ccc(/C=C/c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQTVYGYCYRUXSY-RQZCQDPDSA-N", "SMILES:COc1cc(/C=C(\\Cn2ccnc2)c2ccc([N+](=O)[O-])cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4206988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEEZQNAIPKZMRR-ONEGZZNKSA-N", "SMILES:COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1191848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJBFZIWISRAEOF-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(O)Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL162549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBPGWXSTCFNGPY-UHFFFAOYSA-N", "SMILES:O=C(Cn1ccnc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLUZBXKWAQNRL-BQYQJAHWSA-N", "SMILES:COc1cc(/C=C/c2ccccc2[N+](=O)[O-])cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL162431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRMNVYHFJCGDDI-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Cn2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAICSQDTJISOED-VQHVLOKHSA-N", "SMILES:COc1ccc(/C=C/c2ccccc2[N+](=O)[O-])cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1171818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIBKKCPPEBZEHD-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2ccc(N)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2430098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHMYCKJFFUJLX-UHFFFAOYSA-N", "SMILES:c1ccc2oc(Cn3ccnc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRARRCEUTWKMG-UHFFFAOYSA-N", "SMILES:Clc1ccc2oc(Cn3ccnc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFJDWEADDGOJLX-UHFFFAOYSA-N", "SMILES:Brc1ccc2oc(Cn3ccnc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNVMJNMUDBPQY-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)c2oc(Cn3ccnc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYAAFXVTMGPMOL-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2cc3ccccc3o2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJSFGDIBZZPYAY-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(c2cc3ccccc3o2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLMIFUDNJXVBCE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(c2cc3ccccc3o2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJDSUJUWIQLRFN-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2cc3ccccc3o2)n2cncn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFNKPAKWVNVLT-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2cc3ccccc3o2)n2cnnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKLSRSZWYTMDL-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(c2cc3ccccc3o2)n2cnnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWDNKPKPCBOCOF-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2cc3ccccc3o2)n2cnnn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNPOZLKMPCEZQH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)(c2cccnc2)c2cc3ccc(OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKSNASDRHDFKQO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc3ccc(OC)cc3o2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUWROJIVKURNQN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cc3ccc(OC)cc3o2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXCBVWXENGIHRM-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(c3ccc([N+](=O)[O-])cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUMOVPSZOSPZIP-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(c3ccc(C)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNXQCYACVRDHF-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(c3ccc(C(F)(F)F)cc3)n3cncn3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL371663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMDUQQUEADJMFC-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(c2cc3ccc(OC)cc3o2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKRLLUOJHDUMCK-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(C(c2cc3ccc(O)cc3o2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVSOJTSZQDCAPY-UHFFFAOYSA-N", "SMILES:OC(c1ccc(F)cc1)(c1cccnc1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDHLOXHPJCSPNC-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1cccnc1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYJWFCXYUSYRLE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)(c2cccnc2)c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMVXKKZHONWLEN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(c2cc3ccccc3o2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28971", "category": ["biolink:ChemicalEntity"], "name": "FENARIMOL", "xref": ["InChIKey:NHOWDZOIZKMVAI-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL29400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMFWRHVEAKOSG-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1cncnc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRYTZCLFTYZLS-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNWYQQUQEXUBNN-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCYZFOMLYIWENI-UHFFFAOYSA-N", "SMILES:OC(c1ccc(F)cc1)(c1ccc(Cl)cc1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXIWEXVCJCBPLE-UHFFFAOYSA-N", "SMILES:OC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYBOAKFTUUVEOK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(O)(c2ccc(C)cc2)c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APQYPZPPQIAPOX-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1cncnc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGACTUIHJMVHAO-UHFFFAOYSA-N", "SMILES:OC(c1ccc(F)cc1)(c1cncnc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWERAFKONKWKCP-UHFFFAOYSA-N", "SMILES:COc1cccc(C(O)(c2ccc(Cl)cc2)c2cncnc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDUBKATZDOTXNA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)(c2cncnc2)c2ccc(C)c(C)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFUZOIHRIEKIC-UHFFFAOYSA-N", "SMILES:OC(c1ccccc1)(c1ccc(C(F)(F)F)cc1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYEGTISZRWIKGU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(C(O)(c2ccccc2)c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL287393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIHUFSCGSUFGST-UHFFFAOYSA-N", "SMILES:OC(c1ccccc1)(c1cncnc1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL540958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRFFDDAXWWNEI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(O)(c2ccccc2)c2cncnc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQIAMHLCXUKND-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBJIUWJHFIQGEE-UHFFFAOYSA-N", "SMILES:CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLKWAQWVIGRFB-UHFFFAOYSA-N", "SMILES:FC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL30047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWBVVFEIZJKLJ-UHFFFAOYSA-N", "SMILES:CCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYMAOEWKOLRRJM-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cc2ccccc2)(c2ccc(Cl)cc2)c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSRNQCFNULNQW-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(F)(c2cncnc2)c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL30043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DETXRYVNNOCHOV-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(F)(c2ccc(Cl)cc2)c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFBFPOGRBLGMY-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cl)(c2ccc(Cl)cc2)c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICQABMOHPLUNO-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1cncnc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJJFNPPJJBJVGA-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1cncnc1)C1CC2CCC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHALJIWVFQMGND-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1cncnc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL30081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITVKQLSCKELFI-UHFFFAOYSA-N", "SMILES:OC(c1ccc(F)cc1)(c1cncnc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGXIWKLQNYDIKD-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Br)cc1)(c1cncnc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL27797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPIATYDRIHDBW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)(c2cncnc2)C2CCCCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAZMHPQDNYKCOI-UHFFFAOYSA-N", "SMILES:c1ccc(C(c2ccccc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTAZYMLCONRAD-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C(c1ccccc1Cl)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL335215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYQDSVOBBUBGLL-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDEDTTNPPLIECO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL137373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBOUDDGIOBMHGX-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(c2ccc(F)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL137002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOVUZVEKOQRFF-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(c1ccccc1)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL343072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVFZDCRXVIUCNX-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccccc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDZAWKSEGPSMJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2ccc(OC)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL335050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCDAJQYADLADQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2ccc(C)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNNJJCONRRYES-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(C(c2ccc(Cl)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDZKZLCSZAFRA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2ccc(Cl)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMZGTBINCMYSZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(c2ccc(C)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL436369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGWHLLPCZCZCRY-UHFFFAOYSA-N", "SMILES:Brc1ccc(C(c2ccc(Br)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNTWDUNCHRWMT-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL343273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGOEPFUNLHIBN-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1C(O)(c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL337750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFIUNNEDCNHDT-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1cccnc1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL138538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTBXINDIVNSDJJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMWFIKJGNIMQF-UHFFFAOYSA-N", "SMILES:OC(c1cccnc1)(c1cccc(Cl)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYDVEMSIINILR-UHFFFAOYSA-N", "SMILES:OC(c1ccc(F)cc1)(c1cccnc1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWKPVXLLPWCTIJ-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONEYSAJJOODYFE-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(Cl)(c2ccc(Cl)cc2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXCWPWFOVFBCS-UHFFFAOYSA-N", "SMILES:FC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEAJDLQMOILVMU-UHFFFAOYSA-N", "SMILES:CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXQWWLANZWFJBQ-UHFFFAOYSA-N", "SMILES:COC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1195457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTMLTGHIFEUFQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccncc2)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL422093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTLFMGDNZYQISN-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)cc1"], "synonym": ["NCI-142496"]}
{"id": "CHEMBL.COMPOUND:CHEMBL341386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDYDLXXMIVUMU-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIKBWGFUDXJFEP-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL132929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRRSYFZERBDOEZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)n2ccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIKFTTPTTFVNPW-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)n2ncnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWJWDLWDGFLRL-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL335836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKOPHINUFIVPPC-UHFFFAOYSA-N", "SMILES:OC(c1ccncc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTIYABLCRIKOS-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQBWTZMAYRSYJV-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NULSKRCGTMOMJW-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQLKGAQFFLRHH-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL137589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIRUIVSVSJTQDQ-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYIAZYNFHOCJM-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cscn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNROUYGNOGXJLI-UHFFFAOYSA-N", "SMILES:OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccsn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL137049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFVDWGWXQCGMKB-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)(c2cccnc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL137396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMSLCMMRZSDJBX-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccncc2)(c2ccc(Cl)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL133198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRRSFAGOFPYPR-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)(c2ccccn2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL137604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLUUKUXFWBTTMH-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)(c2ncc[nH]2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL344904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNZOJVOEPFPLRY-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)(c2c[nH]cn2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGFVGYRNVCDKK-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)(c2cc[nH]n2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL137001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKCARZHIWKBDJK-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)(c2cn[nH]c2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VICKHMSBPCKYMP-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)(c2nc[nH]n2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XILCLJXDZMOZQW-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)(c2c[nH]nn2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNWZZJEMSXKTQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)(c2cscn2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZPLEGWRPPYKCF-UHFFFAOYSA-N", "SMILES:Clc1ccc(C(c2ccc(Cl)cc2)(c2ccsn2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGQIJBFJLZQES-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBOGXRFDZUJAMW-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccc(OS(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZMIZLRMZEQAE-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccc(OS(N)(=O)=O)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRNXFDENRWGED-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccc(OS(N)(=O)=O)c(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPMUAVYVOYMNS-UHFFFAOYSA-N", "SMILES:N#CC1(c2cc(Cn3cncn3)cc(Sc3ccc(OS(N)(=O)=O)cc3)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPFTVLKZXXRDE-UHFFFAOYSA-N", "SMILES:N#CC1(c2cc(Cn3cncn3)cc(Sc3ccc(OS(N)(=O)=O)c(Cl)c3)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUOGXNDRPPJUAC-UHFFFAOYSA-N", "SMILES:N#CC1(c2cc(Cn3cncn3)cc(Sc3ccc(OS(N)(=O)=O)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMFLKXGXCQNSCG-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cc(Cn2cncn2)cc(Oc2ccc(OS(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDNFXFMCLATNS-ONEGZZNKSA-N", "SMILES:CC(C)(C#N)c1cc(/C=C/c2ccc(OS(N)(=O)=O)cc2)cc(Cn2cncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRUGOSUJXDMGHZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPYONHKWIBSAO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2ccc(OS(N)(=O)=O)c(F)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGERCHAZCOJISO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2ccc(OS(N)(=O)=O)c(Cl)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBYHKFHXUFALBW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2ccc(OS(N)(=O)=O)c(Br)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOJGWQGJIQZET-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNXHIWCALYYMR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCc2ccc(OS(N)(=O)=O)c(F)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEJVEKYDOAHNLX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCc2ccc(OS(N)(=O)=O)c(Cl)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIJIKGCKRDMJX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCc2ccc(OS(N)(=O)=O)c(Br)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFEQWGNGPHBWDT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUHEXZVFRHECT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2ccc(O)c(F)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNAWCRFXUVMCD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2ccc(O)c(Cl)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZDTOOLNFBQNU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2ccc(O)c(Br)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KERAFVYDDGCHJF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFOIUDCMHHTONT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCc2ccc(O)c(F)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPMTPBUITUJPL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCc2ccc(O)c(Cl)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVGIZMOTBMCFQL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCc2ccc(O)c(Br)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZPJKYPDFZGWSM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCOc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVENQIQRXNKBEN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCOc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKYXOZVQPGRKBX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCCOc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CASFGRIXQYAGFF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCOc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUBJMVQWAYMAJH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCOc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBIPKJKGIUTUEJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCCOc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVMTQAWOVDEOH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CSc2cccc(O)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNZVOGGMOYKVNC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CSc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFVUWGGXWLUCJD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCSc2cccc(O)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXGRPEUTFIUGAM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCSc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZZXMBEAOCHIU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCSc2ccc(O)c(Cl)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBRAXZMHZHUFH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCSc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXYFJBFKILPHPH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCCSc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQWQDAWTUAGYGP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCCCSc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKGYSBTKCJSFY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCCCCCCCCSc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJCWYJQMBUWFDG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCSCc2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPFSNDTFIHOKP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CSc2cccc(OS(N)(=O)=O)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCSSSNWIUQLHY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJPUHQIQQJQFIY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCSc2cccc(OS(N)(=O)=O)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZOQLAYVLECGM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQAWXNMZMUUFPR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCSc2ccc(OS(N)(=O)=O)c(Cl)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASTHETADXNXYKI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMHPXSOHNOZAB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOZNRCNWHBHXJN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCCCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFSCOUUMGDGSJA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCCCCCCCCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXULMHOTWZBGSD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCSCc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNPISPYWDWZMBC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCCS(=O)(=O)c2ccc(O)cc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEIAVIWZLHPKJQ-UHFFFAOYSA-N", "SMILES:CN(CCN(c1ccc(C#N)cc1)n1cnnc1)S(=O)(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZBSTBMJQMKEA-UHFFFAOYSA-N", "SMILES:CN(CCN(c1ccc(C#N)cc1)n1cnnc1)S(=O)(=O)c1ccc(OS(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILDRPLIIWNNAIA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CC2CCc3cc(OS(N)(=O)=O)ccc3C2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKOOSJQIJJYGB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc3cc(OS(N)(=O)=O)ccc3c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZPGLHMNDLJIP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc3c(Cl)c(OS(N)(=O)=O)ccc3c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYNPCVCDJFZCMT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc3c(Br)c(OS(N)(=O)=O)ccc3c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWPJNYSMVJSHG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCn2ccc3cc(OS(N)(=O)=O)ccc32)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWPLISNGRLIEQ-UHFFFAOYSA-N", "SMILES:Cn1cc(CCN(c2ccc(C#N)cc2)n2cnnc2)c2cc(OS(N)(=O)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZMXKGGWOXQAT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2coc3cc(OS(N)(=O)=O)ccc23)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFHWBZVDYNBQBU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CC2CCc3cc(O)ccc3C2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYECMRZCCHOZIB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc3cc(O)ccc3c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNXODDGGGZFNAP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc3c(Cl)c(O)ccc3c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOIMFMVCQWLBSM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc3c(Br)c(O)ccc3c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRFAAIDCVGORTP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCn2ccc3cc(O)ccc32)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJZPROOIZVJLH-UHFFFAOYSA-N", "SMILES:Cn1cc(CCN(c2ccc(C#N)cc2)n2cnnc2)c2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPZMUPGROPTVFQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2c[nH]c3ccc(O)cc23)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOASKEURYPHNHK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2coc3cc(O)ccc23)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAKLXXXDBYUAP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2nc3ccc(O)cc3o2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INELMFCWJZOPCI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(C(c2ccc(Cl)cc2)n2cncn2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUDXHDOYGPUGX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(Cc2ccc(OS(N)(=O)=O)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJMKRMGKMJWQI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(Cc2ccc(OS(N)(=O)=O)c(Br)c2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZGLNABOHZSJOP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2ccc(OS(N)(=O)=O)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDAWUPWOQBSMNN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2ccc(OS(N)(=O)=O)c(Br)c2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWRUTGWCHNAHP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(CC(c2ccc(Cl)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNERVIZZJUSCIA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(CC(c2ccc(Cl)cc2)n2cncn2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXJRPZAGNVLMLS-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)Oc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3622363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMRMFVJXCAYQJF-UHFFFAOYSA-N", "SMILES:Cn1nnc2ccc(C(c3ccc(OS(N)(=O)=O)cc3)n3cncn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNEKFIAAPAYOBL-UHFFFAOYSA-N", "SMILES:Oc1ccc(C(c2ccc(Cl)cc2)n2cncn2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRUGXIHJIZHLZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(Cc2ccc(O)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEUJCSDRAWACRY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(Cc2ccc(O)c(Br)c2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEBVZHAGPLZEJD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2ccc(O)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMJHZBGARDNFAG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2ccc(O)c(Br)c2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFYCAGVHISQTNY-UHFFFAOYSA-N", "SMILES:Oc1ccc(CC(c2ccc(Cl)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFXBFGRJDVODGX-UHFFFAOYSA-N", "SMILES:Oc1ccc(CC(c2ccc(Cl)cc2)n2cncn2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWYZMURVDKKLC-UHFFFAOYSA-N", "SMILES:Cn1nnc2ccc(C(c3ccc(O)cc3)n3cncn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4465348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABCASZOQLZYLY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2F)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJQMWZJZNORWBM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2c(F)cc(OS(N)(=O)=O)cc2F)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFZFXUQHGMPFL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(F)c2F)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMZIZZNIHVOBLZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2c(F)cc(OS(N)(=O)=O)cc2F)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIUQVBYFXPWQP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(C(F)F)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGCIKVGOZMBQK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(n2cnnc2)C(F)(F)c2ccc(OS(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLZGFVNAKYDQFS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2Cl)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSRDTXBIVWGGP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2c(Cl)cc(OS(N)(=O)=O)cc2Cl)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVZKWEVYQUGUPD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2Br)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVAPDVNOQDZEI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(CN(c2ccccc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRICDRGHZJPSF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(CN(c2cc(F)cc(F)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDHCZHYXEHMJCU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)Oc1ccc(CN(c2ccc3c(c2)OC(F)(F)O3)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBLWLMMDJRXNW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2F)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCXHJGXTXDPBN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(O)cc2F)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYIWJBPBTYOIJV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2c(F)cc(O)cc2F)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEUAJZPHVDZIM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(O)c(F)c2F)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYCWLNYBNEJOH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(CCc2c(F)cc(O)cc2F)C2C=NN=C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSWMWVRZFHRNF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(O)c(C(F)F)c2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDFRGJVRHDHFTK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(n2cnnc2)C(F)(F)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXITWKPGXPKPHO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(O)cc2Cl)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKQMLBBOGFJQCG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2c(Cl)cc(O)cc2Cl)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMWJDXNRAQJRAK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(O)cc2Br)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFARIPAMFSFDY-UHFFFAOYSA-N", "SMILES:Oc1ccc(CN(c2ccccc2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWNNWVRZBDIGMD-UHFFFAOYSA-N", "SMILES:Oc1ccc(CN(c2cc(F)cc(F)c2)n2cnnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFAAESBLLVDJT-UHFFFAOYSA-N", "SMILES:Oc1ccc(CN(c2ccc3c(c2)OC(F)(F)O3)C2C=NN=C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZAPLUGKKKTISJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N(Cc2ccc(O)cc2F)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL350338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CETYHXLCJBBAHU-UHFFFAOYSA-N", "SMILES:Brc1ccc(C2CCCc3cncn32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL348913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNWGYDJRCZATGH-UHFFFAOYSA-N", "SMILES:OCc1ccc(C2CCCc3cncn32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL350072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPVPVMCQPGYYCE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CCCc3cncn32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL163420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDGOASXKUZOUNK-UHFFFAOYSA-N", "SMILES:N#CCCCC1CCCc2cncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL423613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQCSQWQXNLFGKK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(C2CCCc3cncn32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL162585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLKLQLYJBMZHE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2CCc3cncn32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL162834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAZIKNYMMXRJK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2CCCCc3cncn32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUFISTOVGRWOOB-UHFFFAOYSA-N", "SMILES:C=C(c1ccc(C#N)cc1)n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMFHHZOZJZSADW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)CCC=C2n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL29482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRXVWQIGPASRKU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(c2ccc(C#N)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIXDVRDGNOFMX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2(c3ccc(C#N)cc3)CCCc3cncn32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNQIXJZCBRCKKS-HEHNFIMWSA-N", "SMILES:N#Cc1ccc(/C(=N\\c2ccc(Br)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVURGMGVEQZAPB-UHFFFAOYSA-N", "SMILES:C1=NC=NC1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STZIRIMSGHXJNB-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUCGROKBFLHSV-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQWVVTNLJOOEIU-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIEFKRGYTKZNJS-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOOZSYMUUQZMIB-UHFFFAOYSA-N", "SMILES:C1=NC=NC1C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKUOBLGWKKSCRQ-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBMIEAQBWLSLQ-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBKYCKZZMRQHR-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HROSWTHTXHPROD-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CCCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEDBSFPIWMYNN-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CCCCCC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXRQTBXZINRUOV-UHFFFAOYSA-N", "SMILES:C1=NC=NC1C(CCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDTUMHZKBAPNGJ-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CC(Cc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBXNVBERHHFJH-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CC(CCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYOKITVXRCQIL-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CCC(Cc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCYKZCPJZLUIB-UHFFFAOYSA-N", "SMILES:C1=NC=NC1C(CCCCc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KASAXYXEPAUJRJ-UHFFFAOYSA-N", "SMILES:C1=NC=NC1CCCC(Cc1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOGLEYHFHJWLZ-UHFFFAOYSA-N", "SMILES:c1ccc(C(CCn2ccnc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJIDZLLIBZKSR-UHFFFAOYSA-N", "SMILES:c1ccc(C(CCCn2ccnc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXWKQQBOCCCMC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(CCc2c[nH]cn2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIOGJSPFKBIMO-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCc2c[nH]cn2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZCAGYHHFBPDOY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2c[nH]cn2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBYGBAZOZHGFB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(CCc1c[nH]cn1)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSYRBPPNVKZGHD-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(CCc2c[nH]cn2)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVUAYDFDNWYEX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(CCc2c[nH]cn2)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNCKACFWLLJVLO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CCc2c[nH]cn2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDHZTEVCCIBMLZ-UHFFFAOYSA-N", "SMILES:Fc1cccc(C(CCc2c[nH]cn2)c2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIAPQULLTSDNJY-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCc2c[nH]cn2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQLBELGWPRNKQY-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCc2c[nH]cn2)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLPNOBVTJBDEJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(C(CCc2c[nH]cn2)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSEMPMZBYRFSJA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2c[nH]cn2)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTDSUERYHSVJKB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2c[nH]cn2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMXMKKNXGMAESN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CCc2c[nH]cn2)c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZBIOYUSHZRXMD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2c[nH]cn2)c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQKDQKHLQNJQCF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(CCCc1c[nH]cn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVKJDAOKKNLKM-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(CCCc2c[nH]cn2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDFGVZIHQTFFQ-UHFFFAOYSA-N", "SMILES:Fc1ccccc1C(CCCc1c[nH]cn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGEDPXRYEYFPMZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCCc2c[nH]cn2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZFOQFQHOABVGN-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(CCCc2c[nH]cn2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMHXTASEXGIWSA-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(CCCc2c[nH]cn2)c2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPIUAAWRHUZOTB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(CCCc2c[nH]cn2)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFTHQTBNMONBDY-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(C(CCCc2c[nH]cn2)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTOEUQKNBHSLE-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(CCCc2c[nH]cn2)c2ccc(N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAGOGDMDDNXKMQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(C(CCCc2c[nH]cn2)c2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDYXYOKRJSVQN-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCCc2c[nH]cn2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSRGXAFGYIAPU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCCc2c[nH]cn2)c2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUFOLFCLVUJBP-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCCCc2ccccc2)c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBBRLIQBWUWXLI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCCCC(c1ccc(F)cc1)c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRKPOMUXKVILC-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCCCC(c2ccc(F)cc2)c2c[nH]cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNPWLBUNGTGFR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCCCC(c2ccc(F)cc2)c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIONUMSEWTUMLD-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCCc2ccccc2)c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYVUWAIDQCZNCU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCCc2ccccc2)c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVSHYTNSIFQLRL-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCCC(c2ccc(F)cc2)c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHAPQEPKKUPGAA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCCc2ccc(F)cc2)c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCTXDFLYUKWYCX-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCc2ccccc2)c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXOJZGZPFHOJGW-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCC(c2ccc(F)cc2)c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTIRPBTVCEBDU-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(Cc2ccccc2)Cc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCZSGREVRKSMJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCc2ccccc2)Cc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHJCFHQSUYYMAR-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCC(Cc2c[nH]cn2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSLSWLFUSZMYMQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2ccc(F)cc2)Cc2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLAPMTFFVZNBIM-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCn2ccnc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQPOWBDOCHQMJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCn2ccnc2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOAZGXKVZLWNLI-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(CCn2cncn2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZSBLJIDCNPRBH-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCC(c2ccc(F)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMGLNQRLQAWQM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2ccc(F)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLXDGLZPANANX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCc2ccc(F)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTZRRDESNIAOO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCCc2ccc(F)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCLGNPZHOXREPH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(CCCc2ccc(F)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYWNRBMRPCQLLT-VCHYOVAHSA-N", "SMILES:N#Cc1ccc(/C(=C\\Cc2ccc(F)cc2)C2C=NC=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSYDXDKNSJGSI-QBROUFQSSA-N", "SMILES:N#Cc1ccc(/C(=C\\CCc2ccc(F)cc2)C2C=NC=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMZAHJSBHCNQE-BIMFAAKUSA-N", "SMILES:N#Cc1ccc(CC/C=C(\\c2ccc(C#N)cc2)C2C=NC=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNCTVZHKAPYCM-VCHYOVAHSA-N", "SMILES:N#Cc1ccc(/C(=C\\Cc2ccc(F)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVLEXMHDNXBHZ-QBROUFQSSA-N", "SMILES:N#Cc1ccc(/C(=C\\CCc2ccc(F)cc2)n2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDGWEJQWHPGUSP-BIMFAAKUSA-N", "SMILES:N#Cc1ccc(/C(=C\\CCc2ccc(F)cc2)n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL348263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYILADUMHVWERU-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(N/C=N\\O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWFZZZHWWOBNM-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIVNKPFJAVQFJM-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-n2ccnc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITXWTUUAROJZDN-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-n2cnc(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHVJAUDTUYGUNZ-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-n2ccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVHOEGWGUASELU-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLLIISCQQKAQI-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXIGUJIZJQJQP-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ncc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTCYVSYLJFBKLB-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ccno2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL433737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCLDRSRWGWGQAI-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ccon2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL149750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVVGACWXAKCONN-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2cc[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWDVFUCLYPBQNG-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2cnccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFUKBQBNCLWGI-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2cc[nH]c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBBWDREHWCNNG-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCLVZVSTRWZGFK-UHFFFAOYSA-N", "SMILES:CCCCOc1ccccc1-c1ccno1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYJPEHBLXPHHJ-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(-c2ccno2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL422858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEKAEMQSBUSNIO-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2cc(C)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWEADCNYIUWGLT-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2oncc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL151037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBVBONATVNRGC-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ccnn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMKNDIQDOBATQU-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ccn(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL356594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSHWCOQQFPXUKE-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2cc(C)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIMUPZMZYBGFV-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2nocc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUVUAMDJGFSXDF-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccncc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL110524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUOZAEVZNHYAIZ-IHWZXDPASA-N", "SMILES:C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUOZAEVZNHYAIZ-QLFDAEIZSA-N", "SMILES:C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWFQUHIGJOJDH-UHFFFAOYSA-N", "SMILES:O=C(OCc1cccnc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHIZGLEJFAWDX-IHWZXDPASA-N", "SMILES:C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL325461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHIZGLEJFAWDX-QLFDAEIZSA-N", "SMILES:C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL431843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYRWGKJSFMLOD-UHFFFAOYSA-N", "SMILES:CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL114447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYWQBPYNAGLBSC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOCWTZRIYXTEE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL287574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGCPUGLXWOPAP-UHFFFAOYSA-N", "SMILES:Nc1ccc(C23CC2C(=O)NC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVNPDYMRCPXJU-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1cccc(Cn2cncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIJPNFNKMBRELN-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1ccc(Cn2cncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONRCSSWFFDKDJ-NQIIRXRSSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(S(C)(=O)=O)cc2)N1C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4757990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXJZRSRTYPUYRW-WIYYLYMNSA-N", "SMILES:COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)OC)N2C(=O)CCl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5419892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYVEHZMBLOGDS-JVPSVYLMSA-N", "SMILES:OC1CC(O)(CN2CCC(COc3noc4cccc(O[C@H]5CCOC5)c34)CC2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTDAFSSVDSOMT-QGZVFWFLSA-N", "SMILES:CC(=O)N1CCC[C@@H](Cn2c(-c3cc(C)c(=O)n(C)c3)nc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTDAFSSVDSOMT-KRWDZBQOSA-N", "SMILES:CC(=O)N1CCC[C@H](Cn2c(-c3cc(C)c(=O)n(C)c3)nc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWELMDBRVJWCNU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2CC2CCOCC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLMFIMLFTFFNRJ-OAHLLOKOSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCNC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFMVHLOKQSAODF-GOSISDBHSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)CCCN)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SETSXBAFXBULLU-QGZVFWFLSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)C3CNC3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDNJMMIZRXESMC-QWFCFKBJSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)[C@H]3C[C@H](N)C3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALGDHNMDWIYSI-MOPGFXCFSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)[C@H]3CCNC3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRMEIPXCCDETI-DYXWJJEUSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)[C@H]3CC[C@H](N)C3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNTWJRFWFLOBJV-QGZVFWFLSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)c3cnc[nH]3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHBCZZIBHQCIE-LJQANCHMSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)C3CCNCC3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNXNRLWJLCBTNY-SJBKTWHCSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](N)CC3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIIFKXXIFFBNHI-VQCQRNETSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)C3CCCN(C)C3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KACJZUXQYMKNQA-HXUWFJFHSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSHVXKCBHNIVJO-JOCHJYFZSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)C3CCN(C(C)C)CC3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUKRPJIDHSVQSW-LJQANCHMSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGQCFLGKFVLSJ-OAQYLSRUSA-N", "SMILES:CC(=O)N1CCC(C(=O)N2CCC[C@@H](Cn3c(-c4cc(C)c(=O)n(C)c4)nc4ccccc43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNXSTWIQPFUKV-OAQYLSRUSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)C3CCN(CCF)CC3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGIQGBOWHHETPK-HXUWFJFHSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)C3CCN(CC(F)F)CC3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJSCMTNNKUCMAG-HXUWFJFHSA-N", "SMILES:Cc1cc(-c2nc3ccccc3n2C[C@@H]2CCCN(C(=O)C3CCN(CC(F)(F)F)CC3)C2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBOQOYETRQSEE-MRXNPFEDSA-N", "SMILES:CC(=O)N1CCC[C@@H](Cn2c(-c3cc(C)c(=O)n(C)c3)nc3cc(Br)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQHUKNEAJJTCM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3cc(S(=O)(=O)Nc4ccccn4)ccc3[nH]2)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGOUVFOKYOKPNY-XMURTRJZSA-N", "SMILES:O=C(NO)c1ccc(Cn2ccc3cc(C(=O)NCC45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWLCTQDMWMZSKS-UGQIIZBGSA-N", "SMILES:O=C(NO)c1ccc(Cn2ccc3cc(C(=O)NCC45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBNPUOXMQUEWOS-DMHOEKEMSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)c1ccc2c(ccn2Cc2ccc(C(=O)NO)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJNFFIWMLTLRX-DMHOEKEMSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)c1ccc2c(ccn2Cc2ccc(C(=O)NO)c(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYYPNVABFUNGR-VIBOSYLXSA-N", "SMILES:COc1cc(C(=O)NO)ccc1Cn1ccc2cc(C(=O)NCC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSCWEEIJBZSOPY-DMHOEKEMSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)c1ccc2c(ccn2Cc2ccc(C(=O)NO)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SALUDWMRYYZYRA-DMHOEKEMSA-N", "SMILES:O=C(NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)c1ccc2c(ccn2Cc2ccc(C(=O)NO)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTMEOJBADVKCP-UPLOIYFPSA-N", "SMILES:CCOc1cc(Cn2ccc3cc(C(=O)NCC45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc32)ccc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJMWRKOHPNUEJN-CTZVOZSRSA-N", "SMILES:COc1cc(Cn2ccc3cc(C(=O)NCC45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc32)ccc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCTKVIDJFYSUSK-GZVDNEBNSA-N", "SMILES:Cc1cc(Cn2ccc3cc(C(=O)NCC45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc32)ccc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLOBZSDGNUAZCQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJHUYDJVSPZQB-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)ccc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGDPFLFKOMMMV-UHFFFAOYSA-N", "SMILES:COc1cc(CN(C)CCC23CC4CC(CC(C4)C2)C3)ccc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXRUITVGDUBBCK-OOGWLWLJSA-N", "SMILES:CCCNNC(=O)c1ccc(Cn2ccc3cc(C(=O)NCC45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTVUQJMPVRUUHN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)Cc2c(NCCN(C)C)ccc(CO)c2C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL179241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGBIARLSXFYGHC-GOSISDBHSA-N", "SMILES:C=CCC1(CC=C)C(=O)S[C@](C)(CCCCCCCC)C1=O"]}
{"name": "Carnitine O-palmitoyltransferase 1, liver isoform", "xref": ["CHEMBL.TARGET:CHEMBL1293194"], "id": "UniProtKB:P50416", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBDIOOOVLLTKQ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCc3ncn(Cc4ccc(Cl)cc4)c(=O)c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYCEIFKPARYPV-NMDFOGBWSA-N", "SMILES:CCCCC/C=C/C(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)C2CCC[C@H]2C(=O)N2CC[C@H](C)C[C@H]2C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDGOMXRMDQDHAN-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)OCO2)c1nnc(Cc2ccc(F)cc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5172312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBHTYKMNQDUAA-UHFFFAOYSA-N", "SMILES:c1ccc2c(CCNCCSSCCNCCc3c[nH]c4ccccc34)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329522", "category": ["biolink:ChemicalEntity"], "name": "EXIFONE", "xref": ["InChIKey:XEDWWPGWIXPVRQ-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O"], "synonym": ["Exifone", "Exifona", "NSC-680919"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL5407478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXACCOKEEPXHCF-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2ccc(Cl)c(F)c2)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEUPNSQWRKWLMJ-FBCYGCLPSA-N", "SMILES:O=C1CC(c2ccc(Cl)cc2)CC(=O)C1/C=N/OCc1nnsc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNJGWISHAISPU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CCC(c2cc(-c3ccco3)[nH]n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDRIWANEBBWTMK-UHFFFAOYSA-N", "SMILES:Nc1nc(SCc2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc2c(c1)CCO2"]}
{"name": "Lysophospholipase-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL2189133"], "id": "UniProtKB:Q5VWZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWRKCNIYLNLXEH-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(S(=O)(=O)n3nc(SCc4ccc(Cl)cc4)nc3N)cc2s1"]}
{"name": "Lysophospholipase-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3259491"], "id": "UniProtKB:Q3UFF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUOWUZLQDJSCV-HXUWFJFHSA-N", "SMILES:CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQMGQZOHIDOPCQ-UHFFFAOYSA-N", "SMILES:c1ccc2c(NC3CCCCC3)nc(C3CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL529145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUASJMWQBWMHGL-UHFFFAOYSA-N", "SMILES:OC(Cn1ccnc1)(c1ccc(Cl)cc1Cl)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSWKZVPVYJESGA-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CCN3CCCC3C2)nc1Oc1ccc(-n2ccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVHGHJNEMVPRT-UHFFFAOYSA-N", "SMILES:CNc1nnc(C)c2c1cc(-c1ccc(F)cc1)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGXOCYLSKQOEJX-HNNXBMFYSA-N", "SMILES:Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2)nc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRYUXZLTPLLLET-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTGZCTCAWVZFIP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3cccc(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDDPOUKMOGLKAT-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(CC4CCN(C(=O)C(C)(C)C)CC4)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAPXSQQJGDAOMJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2c(Cl)cc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)cc2Cl)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZGVLXQNMQXTP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(CC(C)C)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGQPWRFCMJJGQW-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)c(-c3ccc(CC(C)C)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDOBREZCQZUWDH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccc(CC(C)C)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZSSYNXYPBAEL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(CC(C)C)cc3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVMXAIJIDNDXFE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(CC(C)C)c(F)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYSGHQYIUOGVGE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(C=C(C)C)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWSQVBLZIJWSTD-UHFFFAOYSA-N", "SMILES:CCC(C)Cc1ccc(-c2c(Cl)cc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)cc2Cl)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCCINAIHGWKJNN-LDADJPATSA-N", "SMILES:CC/C(C)=C/c1ccc(-c2c(Cl)cc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)cc2Cl)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXGXFDMVOBYJCU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(CC4CCC4)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJURGQVQGNCMT-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(C=C4CCC4)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRTDGDXVPDKZOI-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(CC4CCCC4)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZSCRNEDKJXST-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(C=C4CCCC4)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITHLNWDMQDPRR-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(OC(C)C)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLRYJVWQWQQYOS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(CN(C)C)c(C#N)c3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZPMYNTXVPCKU-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(CC(C)C)c(C#N)c3)c(Cl)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVFQBVBUKWFDW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQKQUMTYVMOUJJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KISSEQLOUGOYAX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3cn[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFYOIHJFDRFZTI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3cn[nH]c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYCQQSQCCENDV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4cn[nH]c4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUCCJWKWEPQSLM-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(P(=O)(O)O)P(=O)(O)O)nc(-c3cccc(C(=O)Nc4ccc(F)cc4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZPMXBCFREYEO-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(P(=O)(O)O)P(=O)(O)O)nc(-c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKCIEYVNKREBBI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4cnn(C)c4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNEPRNYCEBFWIS-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(NC(P(=O)(O)O)P(=O)(O)O)nc(-c3cccc(C(=O)Nc4ccc(F)cc4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLGVHAUDPAVAA-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(NC(P(=O)(O)O)P(=O)(O)O)nc(-c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFDTHYVDRWWRW-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(NC(P(=O)(O)O)P(=O)(O)O)nc(-c3cccc(C(=O)Nc4ccc(OC)c(F)c4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUPQLJMVLIYSKM-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2c(NC(P(=O)(O)O)P(=O)(O)O)nc(-c3cccc(C(=O)Nc4ccc(F)cc4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTIVTMYJOLCPR-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2c(NC(P(=O)(O)O)P(=O)(O)O)nc(-c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZGUUQPJZNJNIX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4cnn(C(C)C)c4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOEVOUJPCNVYDL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4cn(C)nc4n3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWZSPARAIVFZRT-UHFFFAOYSA-N", "SMILES:CCn1cc2c(NC(P(=O)(O)O)P(=O)(O)O)nc(-c3cccc(C(=O)Nc4ccc(OC)c(F)c4)c3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRJHWSMXXSLIV-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(NC(P(=O)(O)O)P(=O)(O)O)nc(-c3cccc(C(=O)Nc4ccc(F)cc4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYPYEZYJCKTHGJ-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(NC(P(=O)(O)O)P(=O)(O)O)nc(-c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUWHZYQQGUBKPH-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ncn(C)c4n3)c2)cc1F"]}
{"name": "Ras-related protein Rap-1A", "xref": ["CHEMBL.TARGET:CHEMBL1255139"], "id": "UniProtKB:P62834", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFTLJCSWWTWMRX-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1cc([N+](=O)[O-])ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJOHAVBFKATKAK-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1cccc([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRFURYNSAISAGF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(O)c(C(=O)c2cnc3cc(-c4ccc(Cl)cc4)nn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUPCVAKGYXPPPI-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1c(O)ccc([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1552242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHPPOMOTTIKPND-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2cc(-c3ccccc3)nn2c1)c1cc([N+](=O)[O-])ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYUNFGPPRZZNR-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2cc(-c3ccccc3Cl)nn2c1)c1cc([N+](=O)[O-])ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPXLIBYMMMZRLO-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2cc(-c3cccc(Cl)c3)nn2c1)c1cc([N+](=O)[O-])ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEGNMKZXNVZLR-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2cc(-c3ccc(C(F)(F)F)cc3)nn2c1)c1cc([N+](=O)[O-])ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNYZAGZAAMWTJ-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2cc(-c3ccc(O)cc3)nn2c1)c1cc([N+](=O)[O-])ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFERFTPTWAKKQF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cc3ncc(C(=O)c4cc([N+](=O)[O-])ccc4O)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIHNWDNOLJPNDK-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cc3ncc(C(=O)c4cc([N+](=O)[O-])ccc4O)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLKDKNPZZBCHSR-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)c1ccc(-c2cc3ncc(C(=O)c4cc([N+](=O)[O-])ccc4O)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKXZJWPWHFZNR-UHFFFAOYSA-N", "SMILES:Cc1ccc(COC(=O)c2ccc(-c3cc4ncc(C(=O)c5cc([N+](=O)[O-])ccc5O)cn4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODRDYVLZWQKDRO-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccc(Cl)cc1)c1ccc(-c2cc3ncc(C(=O)c4cc([N+](=O)[O-])ccc4O)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCVPGOJEJBJCAV-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cc3ncc(C(=O)c4cc([N+](=O)[O-])ccc4O)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQXHWIGOQADLR-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cc3ncc(C(=O)c4c(O)ccc([N+](=O)[O-])c4O)cn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXUZGBKWGTYALB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cnc2[nH]c(Cl)cc2c1)N1CC(COc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBUAOROHEQQJSM-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cc4)C3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVLNXHLYBEMDB-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cc4)C3)ccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMCHXNXJWQIJO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2[nH]c(C(F)F)cc2c1)N1CC(COc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVIYMXGITCQXMA-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC2CN(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKGGJKINLNGEQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2[nH]cc(Cl)c2c1)N1CC(COc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMVJBKXGOQDTHH-UHFFFAOYSA-N", "SMILES:Cn1cc(Cl)c2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDYKJNWWJJGNOB-UHFFFAOYSA-N", "SMILES:Cn1cc(F)c2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)nc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYNOWBOZYNZHU-UHFFFAOYSA-N", "SMILES:Cn1cc(C#N)c2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWAJXVKFOWDOFW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cnc2[nH]ccc2c1)N1CC(COc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCFXOIVTXPQTD-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cc4)C3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKBDTQBGCUJBMK-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(Cl)cc4)C3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXFRLYIMWFXAT-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cc4)C3)cnc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GANCYBRNJQGHKK-UHFFFAOYSA-N", "SMILES:Cn1cc(Cl)c2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cc4)C3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFMPMMVWRYQZMJ-UHFFFAOYSA-N", "SMILES:Cc1cn(C)c2ncc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cc4)C3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPPMNBXTNNJVSJ-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cn4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVOPHZJSPKSJN-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2[nH]ccc2c1)N1CC(COc2ccc(C(F)(F)F)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIEJZADTHQSWHR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2[nH]ccc2c1)N1CC(COc2ccc(C(F)(F)F)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKGSQSFIMMSKLA-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)nc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWFJDDUGXJKEKJ-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(Cl)c(Cl)c4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQKFUEGRTDQOMX-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(F)c(F)c4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZVTOPKPDPMDQ-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(F)cc4F)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITQJXAHKJISIBD-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(F)c(C#N)c4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXALEVHKQLIIAL-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(F)cc4C#N)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDJRDDEKRQJCH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2[nH]ccc2c1)N1CC(COc2ccc(C(F)(F)F)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUYODZFLCXKHY-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)c(F)c4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHWCSAQAPKKBKA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2[nH]ccc2c1)N1CC(COc2ccc(C(F)(F)F)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIAFALLOOCOLU-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC4(CC(=O)c5ccccc5O4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKCQKFOIVLBPS-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(CNC(=O)N3CC4(CC(=O)c5ccccc5O4)C3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGSQTOMWDLSNCB-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(C(=O)NCc3ccc4[nH]c(Cl)cc4c3)C2)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAZGVCFPDVERW-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccc(CNC(=O)N3CC4(CC(=O)c5ccccc5O4)C3)cc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISHYOLKNRKYWGD-UHFFFAOYSA-N", "SMILES:Cn1cc(Cl)c2cc(CNC(=O)N3CC4(CC(=O)c5ccccc5O4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COBVBBSZLRJQHS-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(CNC(=O)N3CC4(CC(=O)c5cc(F)ccc5O4)C3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDQXYXPAEPKMSA-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(CNC(=O)N3CC4(CC(=O)c5ccc(F)cc5O4)C3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUKVZAWHRNNHFS-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(CNC(=O)N3CC4(CC(=O)c5cc(F)cc(F)c5O4)C3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXOXUGXUUINWLS-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(CNC(=O)N3CC4(CC(=O)c5ccc(F)cc5O4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYRVCMPYNCQIOE-UHFFFAOYSA-N", "SMILES:CCn1ccc2cc(CNC(=O)N3CC(COc4ccc(C(F)(F)F)cc4)C3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUCHITNCMPVOLB-UHFFFAOYSA-N", "SMILES:O=C1CC2(CN(C(=O)NCc3ccc4[nH]ccc4c3)C2)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWHHDBVZNRZBG-LJQANCHMSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTULYOJQICTFJF-HXUWFJFHSA-N", "SMILES:Cc1nnc(-c2cnc(Nc3ccc4c(c3)C(C)(C)NC4=O)nc2N[C@H](CO)c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAHVFXDVONAQHM-LJQANCHMSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(-c4nnc(CCl)o4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBLQMFHHKDISPR-GOSISDBHSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(-c4nnc(C(F)F)o4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANBGYPQYNYZOCK-OAQYLSRUSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(-c4nnc(C5CC5)o4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBCWYWYLLDHRN-OAQYLSRUSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(C(=O)NCC4(O)COC4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIVXCLTUWBQSL-HRAATJIYSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(C(=O)NC[C@H](F)CO)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTCXKIKJOJTOM-FGZHOGPDSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(C(=O)NC[C@@H](F)C(C)(C)O)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQATXATLQOXNA-HXUWFJFHSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(C(=O)NCC(F)(F)CO)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXAHYWBDLXINQK-JOCHJYFZSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(C(=O)NCCOCCO)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMJBQADNBJAFMJ-RUZDIDTESA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(C(=O)NCCCN4CCOCC4)c(N[C@H](CO)c4ccccc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAUWBZBPTPSUJT-AREMUKBSSA-N", "SMILES:CN1CCN(CCCNC(=O)c2cnc(Nc3ccc4c(c3)C(C)(C)NC4=O)nc2N[C@H](CO)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUHXMUVVYGEDX-LJQANCHMSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4cccc(F)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWTXXGPUNDKBLW-LJQANCHMSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccc(F)cc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQXPUNNGAEYQN-LJQANCHMSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccc(F)c(F)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUWCHUIHQZGKGE-LJQANCHMSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4cc(F)ccc4F)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPQQLSTKKVFGP-LJQANCHMSA-N", "SMILES:CC1(C)NC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4cc(F)cc(F)c4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWHHDBVZNRZBG-QLGZCVRESA-N", "SMILES:[2H]C([2H])(O)[C@@H](Nc1nc(Nc2ccc3c(c2)C(C)(C)NC3=O)ncc1-c1nnco1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUHXMUVVYGEDX-OMVVLXAOSA-N", "SMILES:[2H]C([2H])(O)[C@@H](Nc1nc(Nc2ccc3c(c2)C(C)(C)NC3=O)ncc1-c1nnco1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWTXXGPUNDKBLW-OMVVLXAOSA-N", "SMILES:[2H]C([2H])(O)[C@@H](Nc1nc(Nc2ccc3c(c2)C(C)(C)NC3=O)ncc1-c1nnco1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPGUULSJUXLSJS-OLZOCXBDSA-N", "SMILES:N#Cc1cccc(-c2c(Cl)[nH]c3ncnc(N4CC[C@@H](F)[C@@H](N)C4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUOFLQBOFKWOGI-RVKKMQEKSA-N", "SMILES:C[C@@H]1CCCN1c1cc2c(c([C@H](N)CN)n1)CN(c1cccc(-c3nnc4n3[C@@H](C)CC4)n1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVCEGVSQDOGSB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(C)CCS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594418", "category": ["biolink:ChemicalEntity"], "name": "SURLORIAN", "xref": ["InChIKey:JIGDAUOKKYKRKO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(Cc1ccc(C(=O)O)cc1)CCS2"], "synonym": ["Surlorian", "Surlorian", "Surlorian", "Arm-210", "Rycal dmd", "S48168", "Surlorian", "ARM210", "S-48168", "S48168"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGRFGDVHWUSTI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(CCCCNCCCCC1(O)CC1)CCS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWCJZFNOJLZMLM-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCCNCCCCC2(O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXODIKYCKZQGBH-UHFFFAOYSA-N", "SMILES:COc1ccc(SCCCNCCCCC2(O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSGDCGWYQCFSIJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(CCCCN(CCCCC1(O)CC1)CCCCC1(O)CC1)CCS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMXZCCXHCQADU-UHFFFAOYSA-N", "SMILES:COc1ccc(SCCCN(CCCCC2(O)CC2)CCCCC2(O)CC2)cc1"]}
{"name": "Sarcoplasmic/endoplasmic reticulum calcium ATPase 2", "xref": ["CHEMBL.TARGET:CHEMBL4523144"], "id": "UniProtKB:O55143", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQFLTVKADSIPSD-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCCN(CCCCC2(O)CC2)CCCCC2(O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFKKRYGFRXUME-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(CCCCC1(O)CC1)CCS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKPTAUWMLOPKZ-UHFFFAOYSA-N", "SMILES:O=C1CCC(n2cnc3ccccc32)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFZOAPWJMLHQTB-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)ncn2C1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGMHCOALNRTCSZ-UHFFFAOYSA-N", "SMILES:Nc1ccc2ncn(C3CCC(=O)NC3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STPAWIJDTOCXOB-UHFFFAOYSA-N", "SMILES:O=C1CCC(n2cnc3ccc(OCc4ccc(CN5CCOCC5)cc4)cc32)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCPONFUJISESJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)NCc2cccc(C(=O)NC3CCC(=O)NC3=O)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPQKJUKBBWRZJU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)NCc2ccc(C(=O)NC3CCC(=O)NC3=O)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZXPYGFCMJVQLS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)NCc2ccc(C3CCC(=O)NC3=O)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WASRWSKUJBTVIY-UHFFFAOYSA-N", "SMILES:Nc1cccc(C2CCC(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVJPHIBFEJRVNE-UHFFFAOYSA-N", "SMILES:Nc1ccc(C2CCC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWCRMGBICLCWQQ-QHCPKHFHSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc23)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLGVZRREVMTAU-NRFANRHFSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cncc3cc[nH]c23)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URDFUHGRNODWHA-BOXHHOBZSA-N", "SMILES:Cl.O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cncc3cc[nH]c23)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZVHUQSNLBGJL-FQEVSTJZSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cnccc2Cl)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPNNCFPSMFSSP-FQEVSTJZSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cncc(F)c2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAKMNISRDIXWHA-FQEVSTJZSA-N", "SMILES:COc1ccncc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2cccs2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRXZBSFPXBAIC-BDQAORGHSA-N", "SMILES:COc1ccncc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2cccs2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJZGJNLAFXISNE-FQEVSTJZSA-N", "SMILES:O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cncc(O)c2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEQGCPJLQDTCPB-SFHVURJKSA-N", "SMILES:O=C(NS(=O)(=O)c1cccs1)[C@@H]1CN(C(=O)c2cccnc2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTCXAAPBLFELK-NRFANRHFSA-N", "SMILES:CN(Cc1cccs1)C(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYAWGQHSHSYHE-IBGZPJMESA-N", "SMILES:O=C(NCc1ccc(F)s1)[C@@H]1CN(C(=O)c2cccnc2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKPWZFFMCXTNSE-IBGZPJMESA-N", "SMILES:O=C(NCc1ccc(Br)s1)[C@@H]1CN(C(=O)c2cccnc2)CCN1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEMCXAAHJTJOT-QFIPXVFZSA-N", "SMILES:COc1ccc(NC(=O)[C@@H]2CN(C(=O)c3cccnc3)CCN2c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRKRDWOKNXULK-QFIPXVFZSA-N", "SMILES:COc1ccc(NC(=O)[C@@H]2CN(C(=O)c3cnccc3OC)CCN2c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGOTQBAADZCEL-FTBISJDPSA-N", "SMILES:COc1ccc(NC(=O)[C@@H]2CN(C(=O)c3cnccc3OC)CCN2c2ccc(Cl)c(Cl)c2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBIUEGQNGAZWHE-NRFANRHFSA-N", "SMILES:COc1ccncc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)Nc2cc(F)c(OC)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVIYJUZUCGCFON-NRFANRHFSA-N", "SMILES:COc1cc(OC)c(NC(=O)[C@@H]2CN(C(=O)c3cnccc3OC)CCN2c2ccc(Cl)c(Cl)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZORPXDZZURPET-IBGZPJMESA-N", "SMILES:COc1ccncc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2ccc(F)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTHCIQCCJBJKAU-FYZYNONXSA-N", "SMILES:COc1ccncc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2ccc(F)s2)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRMVIFNWRPQXKN-NRFANRHFSA-N", "SMILES:COc1ccncc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)Nc2ccc(OC(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOBMXNSHZYRGAC-QMMMGPOBSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cn[nH]c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLXRFDLUONQPN-JTQLQIEISA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(CCO)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFOJNNNTIITELY-LBPRGKRZSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(CCN(C)C)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXLUIMRQROHFE-LBPRGKRZSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(C3CCOCC3)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSQJXKRLLJWFD-JTQLQIEISA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(C3CNC3)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQZDBQOEBDNLX-VIFPVBQESA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(C3CNC3)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZDPSEDNWMOWHH-JTQLQIEISA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(C3CN(C)C3)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVUCTISISVRTJU-SNVBAGLBSA-N", "SMILES:OC[C@H]1CCN1c1nc(-c2cnn(C3CNC3)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIOEBQGUSKBAX-LBPRGKRZSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(C3CCNCC3)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INRNILCXHRZIOZ-NSHDSACASA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(C3CCNCC3)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXGFTHNEKPQMOG-CYBMUJFWSA-N", "SMILES:OC[C@H]1CCN1c1nc(-c2cnn(C3CCNCC3)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDATWGHJQHOFM-ZDUSSCGKSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(C3CCN(C)CC3)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAXKFFVGWRKQCK-AWEZNQCLSA-N", "SMILES:CCN1CCC(n2cc(-c3cc(C(F)(F)F)c(C#N)c(N4CC[C@@H]4C)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISXZBRUTDXORGV-ZDUSSCGKSA-N", "SMILES:CC(=O)N1CCC(n2cc(-c3cc(C(F)(F)F)c(C#N)c(N4CC[C@@H]4C)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNUHSBMSXYFGB-ZDUSSCGKSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(C3CCN(C(=O)CN)CC3)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMHAQBXKINVKU-NSHDSACASA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(CC(=O)NCCO)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHPIMJTCUBOAL-ZDUSSCGKSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(CC(=O)N(CCO)CCO)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZDYDDBXXVCRTR-GOPGUHFVSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(CC(=O)N3C[C@H](O)[C@@H](O)C3)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZDYDDBXXVCRTR-YMRXKLBXSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(CC(=O)N3C[C@@H](O)[C@H](O)C3)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFBFVOHAXJMGQZ-AWEZNQCLSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(CC(=O)N3CCN(C)CC3)c2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441069", "category": ["biolink:ChemicalEntity"], "name": "LY-3522348", "xref": ["InChIKey:HAUDFIFEGDNKJX-LBPRGKRZSA-N", "SMILES:C[C@H]1CCN1c1nc(-c2cnn(CC(=O)N3CCNCC3)c2)cc(C(F)(F)F)n1"], "synonym": ["Ly-3522348", "Ly3522348"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWHDAMWJTVZNSF-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(N2CCC(O)CC2)cc1"]}
{"name": "WD repeat-containing protein 91", "xref": ["CHEMBL.TARGET:CHEMBL5465256"], "id": "UniProtKB:A4D1P6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRPYHXDCSXOQDK-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(N2CCC(O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBOWMXHLJCIWRM-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(C(=O)NC3(c4ccc(Cl)cc4)COC3)sc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUCOARRLOTMHQ-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(-c2cc[nH]n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPIZQLVKWLKGRP-UHFFFAOYSA-N", "SMILES:Cc1cn2cc(C(=O)NC3(c4ccc(Cl)cc4)COC3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCWZULPRNURBM-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(CN2CCCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJAJMAAPOGDHE-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc2snnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTDLRWJOPUTWPZ-UHFFFAOYSA-N", "SMILES:O=C(NC(CCO)c1ccc(Cl)cc1)c1ccc(N2CCC(O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLLDGMCPFUWLT-UHFFFAOYSA-N", "SMILES:O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(C2(O)COC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJASXXTWLACUNS-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCN(c2ccc(C(=O)NC(c3ccc(Cl)cc3)C3CC3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQNSNYPBYOWPSM-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(C(=O)NC2(c3ccc(Cl)cc3)COC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSDBWYJUXBUVJL-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCCN(c2ccc(C(=O)NC(CCO)c3ccc(Cl)cc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXJPKLCDSLKGQ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2ccc(C(=O)NC3(c4ccc(Cl)cc4)COC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNWNHBPHPKGFM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(N2CCC(O)C2)cc1)N1CC(O)(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKDVQGKBXRUATP-UHFFFAOYSA-N", "SMILES:O=C1Cc2c(cccc2C(=O)NC2(c3ccc(Cl)cc3)COC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVNQTUSSBIWRQR-UHFFFAOYSA-N", "SMILES:O=C(NC(CCO)c1ccc(Cl)cc1)c1ccc(CN2CCCC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIACVLBZKLIWKO-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCc2c(C(=O)NC3(c4ccc(Cl)cc4)COC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWICYKJEVKAHJP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCCc2c(C(=O)NC(c3ccc(Cl)cc3)C3CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1182777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYKOWOGZBMOVBJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZGTJPPOJGDHW-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCMKBZIPVJCSSW-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(-c3ccc(C(=O)O)c(C4CCCC4)c3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYOUJHNIZVWCA-UHFFFAOYSA-N", "SMILES:CCOc1cc(F)c2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWXLOTLDKWYYDP-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(-c3ccc(C(=O)O)c(C(C)C)c3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIRZGFXJJLMOT-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncnc(-c3ccc(C(=O)O)c(C(C)C)c3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFADNMXBCPZLOT-UHFFFAOYSA-N", "SMILES:CCOc1cc(F)c2c(-c3ccc(C(=O)O)c(C(C)C)c3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXICLXLJBMPGTO-LMIZGRGHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCOPILDPEARBMO-LOXJIAFCSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPKAAGOKQHTKFV-YPLFIJBFSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOZVXORIADGNTM-IYUQQWMQSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAQJECYJOOWDAI-QZUXPVMFSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOKQZXZENXTRY-HHMKCQLTSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHGXSVGARINPB-HNNXBMFYSA-N", "SMILES:N[C@H](CO)Cn1ccc(-c2ccc(Oc3ncc(-c4cc[nH]n4)cc3F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADOQKQOXWZUCTJ-UHFFFAOYSA-N", "SMILES:NCCn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUARCTVIXNWGZ-LBPRGKRZSA-N", "SMILES:N[C@@H](CCO)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUARCTVIXNWGZ-GFCCVEGCSA-N", "SMILES:N[C@H](CCO)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYZGXYQYYTKOV-NSHDSACASA-N", "SMILES:N[C@H](CO)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYZGXYQYYTKOV-LLVKDONJSA-N", "SMILES:N[C@@H](CO)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFMZFGJFKGRDBT-ZDUSSCGKSA-N", "SMILES:N[C@H](CO)Cn1ccc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTLHYZBMCZYJLW-NSHDSACASA-N", "SMILES:N[C@H](CO)Cc1nc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKEMGSYWWPQWMM-AWEZNQCLSA-N", "SMILES:N[C@H](CO)Cc1nc(-c2ccc(Oc3ccc(-c4cc[nH]n4)cn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNMDIQBNHGQMJ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(CC)N1CCN(c2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIUOKSPNZRWMPC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCN(C(=O)c2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVUBLAPDLPXPIT-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCCN1CCN(c2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGPZHNBKTYIQMT-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSNWYWRNYSZHQ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSYQRGIQGWXEX-UHFFFAOYSA-N", "SMILES:CC(CN(C(=O)C1CC1)c1ccccn1)N1CCC(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWQYNISLMZPMA-UHFFFAOYSA-N", "SMILES:COCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZENAEWWRNWGASY-UHFFFAOYSA-N", "SMILES:CC(CN(C(=O)c1ccco1)c1ccccn1)N1CCC(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGTIFUTZJAGUST-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(CC)N1CCC(c2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRZQZTPKMXOGEV-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CCCN1CCC(c2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBODQJCSAHIGCQ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(CC)N1CCC(c2ccccc2)CC1)c1cc(C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZRVEXMBAOWWND-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(CC)N1CCC(c2ccccc2)CC1)c1ccc(C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLXFMHXUDWLLV-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(CC)N1CCC(c2ccccc2)CC1)c1cccc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHKAUCIPZUXCJC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCN(c2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHCRLHSBKARTC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(C)N1CCN(c2cccc(C)c2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCYPKZNPSJLGY-KQNJQULYSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CNC(=O)c2ccc(F)c(-c3ccc(N4C[C@@H](C)N(C)[C@@H](C)C4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBHAAQFDPDMLS-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1cc(Cl)ccc1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWAVSEBJPCVNJG-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1cc(Cl)ccc1OCCC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LACYKPWSCQMDGB-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1cc(Cl)ccc1OCCOC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHYJFWRVZIXWQE-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1cc(Cl)ccc1OCCN(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYWVOLVDUXGRFG-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1cc(Cl)ccc1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLVAIQZWZRUOSU-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ncc(-c3cccc(Cl)c3)cc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXUJUZEPBKKNN-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ncc(-c3cccc(Cl)c3)cc1OCCC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXGCNJSLDGQNC-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ncc(-c3cccc(Cl)c3)cc1OCCOC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSPWNLMWMBEEBH-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NS(=O)(=O)c1cccs1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTEJQKASSOPXKS-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)s1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMBCNOATXSJKHV-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Br)s1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVVVMTRPSHFBEC-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NC(=O)NCc1cc(Cl)ccc1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLZUESEGUFTMA-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(NC(=S)NCc1cc(Cl)ccc1OC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXYPQRJNQPYTQW-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZILSTYXHWSXJE-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCC)C(=O)Cc1ccsc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQGQELGDVCRPN-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)Cc1ccsc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQAYPEJKRTUXAR-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cccs1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWJSHNSUPOENL-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)C1CCOC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKBWQLOEJSOMU-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)CC1CCOC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXJLPQQEBWWKI-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)C1CCCCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCJCSITXLWGGNQ-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)C1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVBXAPUCBHTMP-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)CC1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTMJDYNVCVSIB-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1ccccc1OC(C)=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMTFEVFCMTZTIG-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1ccccc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTKEYPVXGCUKL-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1csc(-c3cccnc3)n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZELAESMZEBAVKU-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUOMSJZSSGSHKW-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1ccc(N3CCNCC3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGAUJROMPMBPCD-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1ccc3c(c1)OCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSOGAEHSILSQQY-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)C(C)(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRVQFHNHQLXSDA-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)C(F)(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSUNCGDINYZJZ-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)CBr)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLEGGBQFOXFJCU-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDJFQHYDFOQZCJ-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)S(=O)(=O)C1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZRIMYMSBSRGK-BQYQJAHWSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)/C=C/CN1CCCCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVWUDYJBHFOGCK-NTEUORMPSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)/C=C/c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSPHCYKGXFYAFJ-AWNIVKPZSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)/C=C/c1ccc(O)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXXWBIXTWXGMP-VZUCSPMQSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)/C=C/c1ccc(O)c(O)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKRDEEVGQNHAOL-WUXMJOGZSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)/C=C/c1ccc(O)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSPHCYKGXFYAFJ-MLPAPPSSSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)/C=C\\c1ccc(O)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKRDEEVGQNHAOL-SDQBBNPISA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)/C=C\\c1ccc(O)c(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHJABNMYOMGPH-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3ccccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHGINCKADNEOLW-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3ccccc3[nH]1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFFJSQFHNQPWKC-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3ccccc3s1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFVCOMUGWJNRJ-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1nc3ccccc3s1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOVKNUCJPOFNS-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3cc(F)ccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WABVCRZNSBVITP-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3cc(Cl)ccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCNOQVQDHBWRR-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3cc(Br)ccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKORNRDCRWEQLQ-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3cc(OC)ccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQILZYGPWBUTM-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3cc(O)ccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTAEAUVAUORNE-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3cc(OC(=O)C(C)(C)C)ccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPIJXASAXODMF-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1ccc3ccccc3c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHRGMIIKRLPQHF-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1ccc3ccccc3n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URAFNYQNWRZIOG-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1ccc3cnccc3n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVHPIVLEADSKS-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)S(=O)(=O)c1ccc3c(c1)CN(C(=O)C(F)(F)F)CC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIOWSKAVUDACG-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)S(=O)(=O)c1ccc3c(c1)CNCC3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVWXQPVVPKQWEY-UHFFFAOYSA-N", "SMILES:CCC(=O)NS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3ccccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXYCXJATSYNLOO-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(Cl)cc1CN(C(=O)c1cc2ccccc2o1)C1Cc2ccc(S(=O)(=O)Nc3c4c(cc5c3CCC5)CCC4)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYOLOKJDLYKGPA-UHFFFAOYSA-N", "SMILES:C#CCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3ccccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDTPLJTVOBGETJ-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCN(C)C)C(=O)c1cc3ccccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJBYNIHGRVRJBT-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(F)ccc1OCCOC)C(=O)c1cc3ccccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHJABNMYOMGPH-SANMLTNESA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3ccccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHJABNMYOMGPH-AREMUKBSSA-N", "SMILES:CCCNS(=O)(=O)c1ccc2c(c1)C[C@H](N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3ccccc3o1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKOVYHCJIZKJFG-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(O)cc(F)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOBKLLABEARPBM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(O)c(F)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAZPUAIZEGNIEZ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(N)cc(F)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVEYJVGYMYKYSD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(N)c(F)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGJUVCFLZWJBGA-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(F)cc(OCCOCCN)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZLRMDUBKSOAMN-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(F)cc(OCCOCCOCCN)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXYXIHBKLDXKE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(F)cc(OCCOCCOCCOCCN)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRVUJGJOHTZJQI-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(F)cc(NC(=O)CCCCN)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHUUAPNAUPBEU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(F)cc(NC(=O)CCCCCCN)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAEFTGAIIHHMJA-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(F)cc(NC(=O)CCCCCCCCN)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFMBBAYMRBITAH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(F)cc(NC(=O)COCCN)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEFZSLVMWYLTMA-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(F)cc(NC(=O)COCCOCCN)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABJNKMICWCLJMM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(F)cc(NC(=O)COCCOCCOCCN)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOJJYJBQTOBJGR-UHFFFAOYSA-N", "SMILES:CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCOCCOCCOCCOc3cc(F)cc(-c4cc(=O)c5cc(OC)c6c(OC)ccc(OC)c6c5o4)c3)c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLVJMDKAIRJOOI-UHFFFAOYSA-N", "SMILES:CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCC(=O)Nc3cc(F)cc(-c4cc(=O)c5cc(OC)c6c(OC)ccc(OC)c6c5o4)c3)c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZAXPJWGNHJJK-UHFFFAOYSA-N", "SMILES:CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCOCCOCCOCC(=O)Nc3cc(F)cc(-c4cc(=O)c5cc(OC)c6c(OC)ccc(OC)c6c5o4)c3)c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKOPPHLBQIUAG-RTBURBONSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNRBPUOHMVAFV-RTBURBONSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETBCWGHKWNNTP-ZWKOTPCHSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGOMDEPURZKKQR-ZWKOTPCHSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVPBIZAVRWGHU-RBUKOAKNSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(OC)cc2)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKOPPHLBQIUAG-RBUKOAKNSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNRBPUOHMVAFV-RBUKOAKNSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFSVCKUAHWWLJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(Cl)cc2)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHAXDIGWSKDFNC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(Cl)c2)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSZZQXQESRBTRL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(Cl)cc2)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCOYKWAEQLXBI-GDBMZVCRSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccccc2F)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQMGTKKBJJFOGQ-RHSMWYFYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(F)c2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HALQCRHZEQWMBI-RHSMWYFYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXUFTFQOVBHRV-RHSMWYFYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSKMTIGVIQLGBB-UKRRQHHQSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cn2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFODACVBVYKBHF-HUUCEWRRSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(C#N)n2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHALOYFTPPVQM-GDBMZVCRSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKGFJEYTXFUJSB-UKRRQHHQSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cn2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUEXROABNBPOBJ-UKRRQHHQSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)nc2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUDFOFBHPJHVPB-GDBMZVCRSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(C#N)nc2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOICGPVTFRAGAX-UKRRQHHQSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXUFTFQOVBHRV-YOEHRIQHSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSKMTIGVIQLGBB-ZFWWWQNUSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(Cl)cn2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOSHDSBFNYBRX-QZTJIDSGSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGOMDEPURZKKQR-QZTJIDSGSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(Cl)cc2)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMVPBIZAVRWGHU-RTBURBONSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccc(OC)cc2)C[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOSHDSBFNYBRX-ZWKOTPCHSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONTCCJDZQKDQRJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSFAWMBRDMNJJT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(Cl)c2)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHTKOXWWRHWHBW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(OC)c2)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZNBZMLJHYDPET-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccc(OC)cc2)CC1(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHQMSAMVAEUFS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IODIOFWAUHHSJM-TZMCWYRMSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cnc(C(F)(F)F)nc2)[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUDFOFBHPJHVPB-HOCLYGCPSA-N", "SMILES:CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(Cc2ccc(C#N)nc2)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXENMVDAMFHABF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYRRTOFZIGEMAN-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQADQASLLQRRS-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJUQCOGSMZGDC-UHFFFAOYSA-N", "SMILES:Cl.Fc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACCOQUITGBZNIB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRDWLJZSQZCBW-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGQVNUHCXZGQO-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNKLLQATJHCGU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(F)c(-c3ccc4nc(NC5CCCC5)sc4c3)n2)nc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APUCDYGQESMCLF-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEENQEYBRIAPID-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(F)c(-c3ccc4nc(NC5CCCC5)sc4c3)n2)nc1)N1CCN(C(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVUQCJPIJGWKO-UHFFFAOYSA-N", "SMILES:Cl.Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHOUZILRSSSHQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5ncsc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVWYIASBVPCEA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5ncsc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCELNDUEEGORMO-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5ncsc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXGXXRXFOMEGQ-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccc(Nc2ncc(F)c(-c3ccc4ncsc4c3)n2)nc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSXQQHHPIMTTN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5ncsc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEAYUFUHMWVVOJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Nc2ncc(F)c(-c3ccc4ncsc4c3)n2)nc1)N1CCN(C(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIMOXHJWCAPVJA-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(CN3CCN(C(C)C)CC3)cn2)nc1-c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYWGOBAZMIZKY-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)N3CCN(C(C)C)CC3)cn2)nc1-c1ccc2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZUVBZJQRCNDPH-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(C(=O)N3CCNCC3)cn2)nc1-c1ccc2ncsc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORPCWNSTRKFQLV-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccc(C(=O)N3CCNCC3)cn2)nc1-c1ccc2ncsc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARVOYFSJPHDRFK-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc5ncsc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBHBMORZSPZIU-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3nc(Nc4ccc(CN5CCN(C(C)C)CC5)cn4)ncc3F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGKHYILSMYODL-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(C)sc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKXSEZJQOBGATL-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3nc(Nc4ccc(CN5CCNCC5)cn4)ncc3F)cc2s1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUGZUNFSIFXZSF-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(C(C)C)CC5)cn4)ncc3F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYGZNSJHNJXPCU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(C)sc5c4)n3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQPSQPDNBDJIIQ-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(C(=O)C6CC6)CC5)cn4)ncc3F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPQSOFKMVBBVFF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cn4)ncc3F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULVCQWDONFUCP-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCNCC5)cn4)ncc3F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAUZWGYSMSBRNQ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(C(C)=O)CC5)cn4)ncc3F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSCYRQTJHYJBU-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(C(=O)C6CC6)CC5)cn4)ncc3F)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJXCBHZRAQWBKN-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2s1.Cl"]}
{"name": "Fermitin family homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL5465266"], "id": "UniProtKB:Q96AC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMFFMFYGVXVIHV-UHFFFAOYSA-N", "SMILES:NCCNc1ccnc2cc(F)ccc12"]}
{"name": "Fermitin family homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL5465350"], "id": "UniProtKB:Q9BQL6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXPOTYIIRALLPH-UHFFFAOYSA-N", "SMILES:NCCCNc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL581588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEXXUYMWTQIYRE-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL236491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIVQKRXTOFYZCQ-UHFFFAOYSA-N", "SMILES:NCCCCNc1ccnc2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2393338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAEDCEBPJIBQDO-UHFFFAOYSA-N", "SMILES:NCCNc1ccnc2cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2393337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTXBEBCBIYNJE-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(NCCN)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSVWPPDVRJJNBA-UHFFFAOYSA-N", "SMILES:NCCNc1ccnc2cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWKJZJCYMNIRF-UHFFFAOYSA-N", "SMILES:NCCNc1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2393341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYGRPKEIPMAGS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NCCN)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITEZQRAYJKUBCM-UHFFFAOYSA-N", "SMILES:NCCNc1ccnc2cc(Oc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMPKGLCMMMJTP-UHFFFAOYSA-N", "SMILES:NCCNc1ccnc2cc(OCc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBVKOEIOMRACDI-UHFFFAOYSA-N", "SMILES:NCCNc1ccnc2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXUTKWVNCXQAY-UHFFFAOYSA-N", "SMILES:NCCNc1ccnc2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYPLTHEFYHLMS-ZZXKWVIFSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)C2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOJFATFPTPICAP-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOBCMRGUULDBL-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3occc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVOMFLDOWUNTE-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQUHBZRXFFTEF-RUDMXATFSA-N", "SMILES:COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJIDYPPJRIREO-QPJJXVBHSA-N", "SMILES:COc1ncc(C(=O)N2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNIXZFZJJPEICF-BJMVGYQFSA-N", "SMILES:COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANLRFFJMCJBOPM-RUDMXATFSA-N", "SMILES:COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC23CC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARXRNHYLFSHQJV-BJMVGYQFSA-N", "SMILES:COc1ccc(C(=O)N2CCCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCCLXQURGWZAX-RUDMXATFSA-N", "SMILES:COc1ccc(C(=O)N2CC3(CN(C(=O)/C=C/c4ccc(Br)cc4)C3)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IALFEUWEUCDZQK-RUDMXATFSA-N", "SMILES:COc1ccc(C(=O)NC2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFZVRDXUPDAREN-FYWRMAATSA-N", "SMILES:COc1ccc(C(=O)N2CCN(C(=O)/C=C(\\C)c3ccc(Br)cc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSFWSKALLMZZAM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(C(=O)CCc3ccc(Br)cc3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJVBUFYGWREFQM-XVNBXDOJSA-N", "SMILES:COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDAWETVYDIQDCL-XVNBXDOJSA-N", "SMILES:COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMKMBVBZPYQMN-HWKANZROSA-N", "SMILES:COc1cnc(C(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLODLHKKDGGSJO-HWKANZROSA-N", "SMILES:COc1ncc(C(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCIYIPHKJJXEA-HWKANZROSA-N", "SMILES:Cn1cnc(C(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCIWYLEVGCTIA-QHHAFSJGSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2ccc3[nH]ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLWQVIQNNAKUAL-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2cnc3[nH]ncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPIXNHUAQAGNFN-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2cnc3[nH]ccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMIRODMUPJOGS-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2cnc3c(c2)OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZLLVONCKDUIRC-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)C2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLENVJDTMNCTMH-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)C2COC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVRZQXJBYDKQGU-HWKANZROSA-N", "SMILES:COC1CC(C(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHXIFSMHNTVVRM-GQCTYLIASA-N", "SMILES:CC(C)(O)C(=O)N1CCN(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXHWOONHEOUJCO-FNORWQNLSA-N", "SMILES:CC(C)(C)C(O)C(=O)N1CCN(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYAZQPRVFARWAA-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIILHJLGZSNKTM-HWKANZROSA-N", "SMILES:CC(C(=O)N1CCN(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)CC1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAKCPNLXUUQRV-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTQMLVQZKCAJRF-HWKANZROSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)N2CCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFANYHXNTDKNRJ-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)N2CC3(CC(O)C3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLHAJQCVUNSSE-QHHAFSJGSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)OC2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJGHTKXXWEHJY-HWKANZROSA-N", "SMILES:Cc1ncc(C(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTISOCAQPAGIFA-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZJEJCEBPKESD-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2cncnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGVTRZKRCWPFG-HWKANZROSA-N", "SMILES:COCCOc1ncc(C(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGQXLBYNJGPFR-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2cnc(OC3CCCC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSFHZPFCJNXDE-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2cnc(OC3CCOCC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOEVONAENDKKBW-WVMJFEGXSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2cnc(N3CC[C@H](O)C3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYFEKNFRUZSHR-HWKANZROSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2cnc(N3CCC3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4645427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQDAYWQELBEPU-FKKRYKJISA-N", "SMILES:CO[C@@]12c3c(C)cc(O)c4c(=O)occ(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5422235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDWARJNQPDMOTF-HNEHEIDXSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c(O)c3c4c(c(O)cc(C)c4c12)C(=O)O3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5421468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWDXSQBVLTUFA-NKLHJNDUSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c(O)c3c4c(c(O)cc(C)c4c12)C(=O)OC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4078208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPMLTHUAXOULM-OICBGKIFSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c(O)c(C=O)c3cc(O)cc(C)c3c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5404113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVMDYORUGKCHD-FKKRYKJISA-N", "SMILES:CO[C@@]12c3c(C)cc(O)c4c(=O)[nH]cc(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWENUAFOGFOKSZ-DOKWLWSOSA-N", "SMILES:CO[C@H]1OC(=O)c2c(O)cc(C)c3c4c(c(O)c1c23)[C@]12COC(=O)c3c(O)cc(C)c(c31)C(=O)[C@H]4[C@@H]2OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5416957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWENUAFOGFOKSZ-ZQFZCEGGSA-N", "SMILES:CO[C@@H]1OC(=O)c2c(O)cc(C)c3c4c(c(O)c1c23)[C@]12COC(=O)c3c(O)cc(C)c(c31)C(=O)[C@H]4[C@@H]2OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5422256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXCARKUFGMZSN-HIOZGICLSA-N", "SMILES:CO[C@@]12c3c(C)cc(O)c4c(=O)n(CC(=O)O)cc(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGLZVXFULVHAIS-VASWLJIXSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccccc1)n1cc2c3c(c(C)cc(O)c3c1=O)[C@]1(OC)[C@H](C2=O)[C@]23COC(=O)c4c(O)cc(C)c(c42)C(=O)[C@H]1[C@@H]3OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZUMSLPUVXTNZ-HCECGWEWSA-N", "SMILES:CO[C@@]12c3c(C)cc(O)c4c(=O)n(-c5ccc(Br)cc5)cc(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPTOFCPSABWFHL-HCECGWEWSA-N", "SMILES:CO[C@@]12c3c(C)cc(O)c4c(=O)n(-c5cccc(Cl)c5)cc(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBZQTKOJKQDMW-LINSMXGPSA-N", "SMILES:CO[C@@]12c3c(C)cc(O)c4c(=O)n(-c5ccc(C)cc5)cc(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUDLHYQWARWPB-HCECGWEWSA-N", "SMILES:CO[C@@]12c3c(C)cc(O)c4c(=O)n(-c5ccc([N+](=O)[O-])cc5)cc(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXQITXLINSPOC-HCECGWEWSA-N", "SMILES:CO[C@@]12c3c(C)cc(O)c4c(=O)n(-c5cccc([N+](=O)[O-])c5)cc(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXVCQLPSUQZIQG-ATZAZFCXSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)[nH]cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXVDFAMPDSIMSG-DVNKZJOCSA-N", "SMILES:CCOC(=O)[C@H](Cc1ccccc1)n1cc2c3c(c(C)cc(O)c3c1=O)C1=C(C2=O)[C@]23COC(=O)c4c(O)cc(C)c(c42)C(=O)[C@H]1[C@@H]3OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBQSBTFKXIUNIQ-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccc(Br)cc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKSJCDONBZQRV-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4cccc(Cl)c4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXNHRHCMHSQCA-CTUSVUMVSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccc(C)cc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYAWMRJTTIPBOB-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccccc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVDQMNZVLJPBA-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccccc4O)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOHZZQWPMXDGFT-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccc(O)cc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAAZTFCZNHCUJU-CTUSVUMVSA-N", "SMILES:COc1ccc(-n2cc3c4c(c(C)cc(O)c4c2=O)C2=C(C3=O)[C@]34COC(=O)c5c(O)cc(C)c(c53)C(=O)[C@H]2[C@@H]4OC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJGWCCYYVAEQU-XVVMYKDKSA-N", "SMILES:COc1ccc(-n2cc3c4c(c(C)cc(O)c4c2=O)C2=C(C3=O)[C@]34COC(=O)c5c(O)cc(C)c(c53)C(=O)[C@H]2[C@@H]4OC(C)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AODSQZCFWKSWHI-DMSZPBELSA-N", "SMILES:COc1cc(-n2cc3c4c(c(C)cc(O)c4c2=O)C2=C(C3=O)[C@]34COC(=O)c5c(O)cc(C)c(c53)C(=O)[C@H]2[C@@H]4OC(C)=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZSOOLTENQMNV-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccccc4Cl)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMNMAVOMRDYRMH-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccc(Cl)cc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXNTAYUXDNGME-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccccc4F)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWYAVYQUOZTTOI-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccccc4I)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNHVIYHNPWHCO-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccc(I)cc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZPHIHKMYPDAFQ-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccccc4[N+](=O)[O-])cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFABFPMMLYTAQ-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccc(O)cc4[N+](=O)[O-])cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRHICSIZALJUIK-MZKCMCNWSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4cnc5ccccc5c4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRNNXJDFNFFDLG-MZKCMCNWSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4cccc5ncccc45)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBHWBCBYYZGNFQ-MZKCMCNWSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccc5ncccc5c4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJPCGYCPAUSKSI-DMSZPBELSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4cccc5cccnc45)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWPMBVMPFNFXLF-DYMXRVJRSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccccn4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGWNNCVCYLACCJ-DYMXRVJRSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4cccnc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MROBFNGHOYCXLF-ZBAGWQJHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ncccc4C)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHWXFJVPMSBXIT-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4cc(C)ccn4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAPQBLWWHASMRF-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccc([N+](=O)[O-])cc4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDGFJNACGXDQF-VFVBNVAHSA-N", "SMILES:CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4cccc([N+](=O)[O-])c4)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBVAHEBIEXXNNA-CRMJKIRDSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJAQBRJAZWAAX-AISSWFOISA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3nnsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNXEFDIXGZHPQ-MEFZMRIGSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3nc(C)sc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDQSKBDKYTWPW-QVYJARAXSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncoc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNTIINGGIOJIMW-CCAPLTMGSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3c(c2)CCO3)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWHFOOHDGGEJAI-KHAFMBKQSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3[nH]cnc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGVKOSRPXIWQPQ-MEFZMRIGSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncn(C)c3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVWHWQSQJFRPP-MEFZMRIGSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3[nH]ncc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUOLABPPWINYRW-AVIKPIRVSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3c(cnn3C)c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOXHNNQHNDOGSK-GESOSKEOSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3nn(C)cc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJABYQWCCWLPP-QVTJDRNWSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3c(c2)OCO3)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCCOYOXNKTQFO-MEFZMRIGSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKUDSDIXIGYMFG-ATDKOCKZSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3nnsc3c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTKPNOXAVTBCW-GESOSKEOSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3nc(C)sc3c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXARCGBVPDGMI-UVYNJXETSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C/c2ccc3ncoc3c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAUOZGQJLRLMNO-FEEIMYBTSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3c(c2)CCO3)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPIAIAIQEINUNP-KDVQLTRESA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3[nH]cnc3c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKTCVLPOZVXXJU-GESOSKEOSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncn(C)c3c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXJJQQRHNRQEY-GESOSKEOSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3[nH]ncc3c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJVKBQUUQVOCF-FNTDYBJHSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3c(cnn3C)c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJVXFDORJYYPAW-LTKMBJGESA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3nn(C)cc3c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQYAWLKOUOTQO-BKNIFWKGSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C/c2ccc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHTZVZJNJGCSJO-GESOSKEOSA-N", "SMILES:CCN1C(=O)/C(=C/c2ccc3ncsc3c2)N=C1N[C@@H](COC)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSKXRGFNVFHFF-FNMPFJKNSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODZFSMGOHOZRM-DZGUVLCISA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDRCBRVTBITOC-LELXDKESSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZINUUIYSVIGC-AISSWFOISA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3n2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXJJBMBMIHWXNC-UZQMFHLOSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3ncsc3c2)C(=O)N1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHBXFRSVBXAGH-OTUTYVNSSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2cc3scnc3cn2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUDPCQAMNRYCM-FEEIMYBTSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3c(ccn3C)c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDKYDIBYWCBDN-CJMVGXJBSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3[nH]ccc3c2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXUUTWWWRMQRN-OTUTYVNSSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2cnc3ncsc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHVMFJFQOFUHRW-DISPHTKASA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3[nH]ccc3c2)C(=O)N1"]}
{"name": "Tribbles homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL4523417"], "id": "UniProtKB:Q92519", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSRIYYLHDRWBY-ATDKOCKZSA-N", "SMILES:COC[C@@H](CC(C)C)NC1=N/C(=C\\c2ccc3scnc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQFFKLVIISVIPM-RQAJKZPKSA-I", "SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)c2ccc(Cn3nnc4c3-c3ccccc3N(C(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)([O-])N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])c3ccccc3-4)cc2)C(C)C)cc1)C(C)C.[K+].[K+].[K+].[K+].[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWNILWNNORYHC-YQJPRTCFSA-G", "SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(OC(=O)N(C)CCN(C)P(=O)([O-])OCC[C@H](NC(=O)c2ccc(Cn3nnc4c3-c3ccccc3N(C(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)([O-])N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])c3ccccc3-4)cc2)C(=O)[O-])cc1)C(C)C.[K+].[K+].[K+].[K+].[K+].[K+].[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLPWRCRRHVRNRM-BEGQQDOQSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGFDFAMSLKYWGL-NCBDYECESA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](OC(=O)OCCSSCCOC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUBOHVOUNIVZMN-XEPRWULWSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](OC(=O)OCCSSCCOC(=O)CCC(=O)NCCCC[C@@H]3NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)CNC3=O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJZNWDPKNHILY-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)OC2CCN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPNQAHGGSNTMFH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)OC2CCN(C(=O)CCl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWNOFFOSSTHOH-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)N1CCC(OC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBLNWKAMPSRHLK-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCC(OC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXXOYONVZZWOBK-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)OC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKCLLRPFCAPVDU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(OC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTIGWXSHVFXMV-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)OC2CCN(S(=O)(=O)CCl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AULFNEAZEPCQGB-VMPITWQZSA-N", "SMILES:CN(C)C/C=C/C(=O)N1CCC(OC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBCGPIPEAXBHL-UHFFFAOYSA-N", "SMILES:C=C=CC(=O)N1CCC(OC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQRUUGJZXFYMPB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTYRKAJCKPDQQN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACUFTIPYUVQTF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFRLROZIOOXXDI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGVXECWLQCACZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKOIFNUGGGVPK-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOUWXJZOAVNPDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLOMHLBCHRLHLM-UHFFFAOYSA-N", "SMILES:COc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWQSQNAKUNBNRF-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRXHYRKEWLXED-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXBYIISDOVZAM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(Cl)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWDNYMJLHTBHA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(F)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKPMYUKOBDYPOT-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBSRMYXDMKXOMK-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMIHQSYXXAXWAY-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFZGTDUKULQXJT-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWXIPHULZJBYTC-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZPSFCPCRXPEP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJAYZTLUVLGJOD-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)c(F)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORDYLCIKMAWANK-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)c(F)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVWFVWKJWNFPGE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(F)c(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLUPBVLFJFOCDT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc2ccccc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZJUTDURUQJHRV-PQQNNWGCSA-N", "SMILES:CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](N)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKPPWDQIYGDKU-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQHNSALOIYLNQI-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUCTTOPFSFTQT-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWYISNAQGGZPS-LJQIRTBHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGTGOKWCKVJTMF-PJGOFDOSSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPQCSMOYZYMLEP-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYBNLXKIUYRBI-PJGOFDOSSA-N", "SMILES:COc1cccc([C@H]2[C@H](C(=O)Nc3ccc(C(=O)O)cc3OC)N[C@@H](CC(C)(C)C)[C@]2(CN)c2ccc(Cl)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOPLFZFIUDEON-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBTYRKQNXDCKQ-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXCKHDAPYQUUAL-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBBWGAANNANLJ-LJQIRTBHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGXKXMEGGPOIV-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2cc(Cl)ccc2F)[C@H]1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDEDLUGXYVYGGS-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2cc(Cl)ccc2F)[C@H]1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNJLHNATDYXUDR-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2cc(Cl)ccc2F)[C@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVPGYQYFZIEHJU-LJQIRTBHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2cc(Cl)ccc2F)[C@H]1c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKSSIXZETBBSJT-LJQIRTBHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFDXNFZFADDJN-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJJLRSSRNBJIA-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVPKAXPXAGDGZ-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWDFAOQSYOSFH-LJQIRTBHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNQWGJBQEUVYPV-PJGOFDOSSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTFYBTTUWIIJAS-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVNIXFBVHOTNH-PJGOFDOSSA-N", "SMILES:COc1cccc([C@H]2[C@H](C(=O)Nc3ccc(C(=O)O)cc3OC)N[C@@H](CC(C)(C)C)[C@@]23CNc2cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIAPTPKAIWJVDT-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTRJCMDYSUHZCI-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIRLZFXBHHFDY-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVUBVNZTMIPTKB-LJQIRTBHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIFDRKQUUFSAMQ-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3ccc(Cl)cc32)[C@H]1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATKGZSLMVEINL-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3ccc(Cl)cc32)[C@H]1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFJZCGUFJQNVTK-QZIGDIDDSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3ccc(Cl)cc32)[C@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFQUVXMAMAXJRE-LJQIRTBHSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3ccc(Cl)cc32)[C@H]1c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEKPQJDPZAKXBX-LJQIRTBHSA-N", "SMILES:COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPQMJWAPZQDKRB-ULWUHOHFSA-N", "SMILES:CNC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@]3(CNc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMSZYZPTYQFKPO-ULWUHOHFSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CN(C)c3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDFMERDYHWVZDV-HNZCNSHZSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWQWSVNMTNZUMN-ULWUHOHFSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@H]1[C@H](c2cccc(Cl)c2F)[C@]2(CNc3cc(Cl)ccc32)[C@H](CC(C)(C)C)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDNPEUOPQHDIO-QGHWIGIDSA-N", "SMILES:CCCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDYKXIAONMXIM-JNHBBQSGSA-N", "SMILES:CCCCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITYKWNHAABEFLF-ULWUHOHFSA-N", "SMILES:COc1cc(C(=O)O)ccc1NC(=O)[C@H]1[C@H](c2cccc(F)c2F)[C@]2(CNc3cc(Cl)ccc32)[C@H](CC(C)(C)C)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAASPMRVZUIUHV-HNZCNSHZSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(F)c2F)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STMWXPZBSNCMIH-QGHWIGIDSA-N", "SMILES:CCCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(F)c2F)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPLSXPSLBPAZCA-JNHBBQSGSA-N", "SMILES:CCCCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(F)c2F)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYGIJFXVKWOFNK-MKYOLNSUSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2ccccc2Cl)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQDQXYTMUFRRF-NBJHOTSESA-N", "SMILES:CCN1[C@H](C(=O)Nc2ccc(C(=O)O)cc2OC)[C@@H](c2cccc(Cl)c2)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1CC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLQWZJAYNTRCP-MKYOLNSUSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWPTBLHVAKSDF-HNZCNSHZSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2Cl)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKZLJNUAIUUUBR-IANDGLOUSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(C)c2)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJDRQANIQSVFG-IANDGLOUSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(OC)c2)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPVPNMCWQOTCC-MKYOLNSUSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2ccccc2F)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSZIZWHABNDXOK-MKYOLNSUSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(F)c2)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJXGCAFKFZCLB-HNZCNSHZSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3ccc(Cl)cc32)[C@@H](c2cccc(Cl)c2Cl)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQDQXYTMUFRRF-MKYOLNSUSA-N", "SMILES:CCN1[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLZRGXSDBAEFD-HUUCEWRRSA-N", "SMILES:O=C(O)[C@@H]1C[C@H]1c1nc(-c2ccccc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHITBMWYDKLJI-VAWYXSNFSA-N", "SMILES:O=C(O)/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYWOTPQUBJKMEN-OUKQBFOZSA-N", "SMILES:C/C(=C\\c1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMZVMPOCGRMPLK-OUKQBFOZSA-N", "SMILES:C/C(=C\\C(=O)O)c1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWYJYZRHWUKWOZ-BUHFOSPRSA-N", "SMILES:C/C(C(=O)O)=C(/C)c1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRYQVTREZKVRMT-HUUCEWRRSA-N", "SMILES:O=C(O)[C@@H]1C[C@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNHVXCXHEFVYFX-VOTSOKGWSA-N", "SMILES:O=C(O)/C=C/c1nc(-c2ccccc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCNAHWAROWFGE-YRNVUSSQSA-N", "SMILES:C/C(=C\\c1nc(-c2ccccc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLZRGXSDBAEFD-GJZGRUSLSA-N", "SMILES:O=C(O)[C@H]1C[C@@H]1c1nc(-c2ccccc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKIBSPLDJGAHPX-UHFFFAOYSA-N", "SMILES:I[As](I)I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEYOHULQRFXULB-UHFFFAOYSA-N", "SMILES:Cl[As](Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRZLUSHOXJGKY-UHFFFAOYSA-N", "SMILES:S=[As](=S)S[As](=S)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1909078", "category": ["biolink:ChemicalEntity"], "name": "SODIUM ARSENITE", "xref": ["InChIKey:PTLRDCMBXHILCL-UHFFFAOYSA-M", "SMILES:O=[As][O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZJTEDZHCUGHL-UHFFFAOYSA-N", "SMILES:O=[As]12O[As]3(=O)O[As](=O)(O1)O[As](=O)(O2)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFDYFBZNDIAPD-UHFFFAOYSA-N", "SMILES:S1[As]2S[As]3S[As]1S[As](S2)S3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHRXEKADHUALPL-LJIZCISZSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](S[As]2SCCS2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIFGOLAMNLSLGH-QOKNQOGYSA-N", "SMILES:COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSPLTAVJDMKOH-UHFFFAOYSA-M", "SMILES:Cn1c[n+](C)c2c1C(=O)c1cc3ccccc3cc1C2=O.[I-]"]}
{"name": "Interleukin enhancer-binding factor 3", "xref": ["CHEMBL.TARGET:CHEMBL5465305"], "id": "UniProtKB:Q12906", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNCRJVRBFQMSN-YUDQIZAISA-N", "SMILES:COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N[C@@H]4CCN(Cc5ccc(C#N)cc5)C[C@@H]4C)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEUSDRGCPVXECX-URLMMPGGSA-N", "SMILES:COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N[C@@H]4CCN(Cc5ccc(C#N)cc5)C[C@@H]4F)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEUSDRGCPVXECX-VMPREFPWSA-N", "SMILES:COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N[C@H]4CCN(Cc5ccc(C#N)cc5)C[C@@H]4F)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLKJXMSLKUEYGJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4(F)F)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNIQFHPQBRJKE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C2CCN(C(=O)c3cc(C)c(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GICQUIZSQLSUNR-CONSDPRKSA-N", "SMILES:N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(-n6cccn6)cc5)CC4)nc3)[C@@H](F)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDBOHHTCMQXOM-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(NC(=O)c3cnc(C(=O)N4CCC(C(=O)c5ccc(OC)cc5)CC4)cc3C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFIBDIOFQXZMDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C2CCN(C(=O)c3cc(C)c(C(=O)NC4CCN(Cc5ccc(OC)c(F)c5)CC4)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FILNCQADLZYXNW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C2CCN(C(=O)c3cc(C(F)(F)F)c(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)cn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBHSDSLZXDASLT-FLKKWHKHSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CNC(=O)c2ccc(F)c(-c3ccc(N4C[C@@H](C)N(C)[C@@H](C)C4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSABMKXBOJUOBD-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ccc(F)cc3C)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTGSQXJNKTZDSD-UHFFFAOYSA-N", "SMILES:COc1cc(CN2Cc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAXSVKVQVTTEZ-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORUSYCGZISHLQU-UHFFFAOYSA-N", "SMILES:COc1cc(CN2COc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJQZQBHCJAMSU-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2cnc3c(-c4ccc(F)cc4C)cc(Cn4ccn(C)c4=N)cc3c2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDGXFQGTYBNAT-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CNc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLFBZLMEAVVEOS-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCOc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDQZWAZFFPXAQ-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CC(=O)Nc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHOMSBUTZVALQI-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCNc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWWDKVDXNLGSHY-VWLOTQADSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3)cc3c2OCCN([C@H](c2cc(OC)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFMPRGZTLIKKFV-VWLOTQADSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3)cc3c2NCN([C@H](c2cc(OC)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHQJCMRWBTXWPF-UHFFFAOYSA-N", "SMILES:COc1cnc2cccc(N3CCc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMOABIBMOIMEJ-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)c2nccc(N3CCc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSTZJVXESJFRS-UHFFFAOYSA-N", "SMILES:COc1cnc2cccc(N3CCOc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYNOSFCEFAFOX-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)c2nccc(N3CCOc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBMBWNJVZICES-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)c2nccc(N3COc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGAOEWLHZMAHFW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(N1CCOc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C1=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDCJPULEHRJDGT-VWLOTQADSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3C)cc3c2OCCN([C@H]2CCOc4ccc(OC)cc42)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVJZVCNGLOGNS-DEOSSOPVSA-N", "SMILES:CCn1cc(-c2cc(Cn3ccnc3)cc3c2OCCN([C@H]2CCOc4ccc(OC)cc42)C3=O)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVQRTLMBVTANG-DEOSSOPVSA-N", "SMILES:COc1cnc2c(c1)[C@@H](N1CCOc3c(cc(Cn4ccnc4)cc3-c3cn(C)nc3C(F)(F)F)C1=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNJHUGGXCYVFOK-VWLOTQADSA-N", "SMILES:CCc1cnc2c(c1)[C@@H](N1CCOc3c(cc(Cn4ccnc4)cc3-c3cn(C)nc3C(F)(F)F)C1=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHGMSJNVTCKQHS-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)NC)c2nccc(N3CCc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOOUZDKFUXEGZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2cccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLAHINFHXDROJP-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(=O)[nH]c(CCCN3CCC(c4ccc(F)cc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFQKILREVNCLZ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CCCN2CCC(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYSCPNHOZCHHO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2CCN(CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL250489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWRJCHNQXZPKT-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2c(Cl)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXBJWAWQZDLDNB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CCCN2CCN(c3ccccc3)CC2)nc2cccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1470357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWCSTSZSZFUHAT-UHFFFAOYSA-N", "SMILES:Nc1ccc(N2CCOCC2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZGVSGJNHXEMNO-KBPBESRZSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MELWUIOZDXGTQK-QEJZJMRPSA-N", "SMILES:C[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)CC(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MELWUIOZDXGTQK-SNPRPXQTSA-N", "SMILES:C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)CC(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVAXBXWEVZNQTA-GJZGRUSLSA-N", "SMILES:CC(C)(C(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)CC(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPLBUORVEFCAOF-GJZGRUSLSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBMBKSXSBSPGR-HOTGVXAUSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXSSDXNEALETHS-GJZGRUSLSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGZBYMUQUEMCH-GJZGRUSLSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQUEYDTOZEVGN-WFASDCNBSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCWHEAUFLMASK-GJZGRUSLSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZUXFHUYCVHGJ-HOTGVXAUSA-N", "SMILES:Cc1ccc(C2(C(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEXUJVHWWIGEV-HOCLYGCPSA-N", "SMILES:COc1ccc(C2(C(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLIFNNOOQXQMIU-SFTDATJTSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFFLQBJDARCGZ-GJZGRUSLSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXFLUMOXIAMRMP-ZFWWWQNUSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYKYNVYMCSJIJB-RXVVDRJESA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(Oc3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XREGRZMFPMLRKC-UGKGYDQZSA-N", "SMILES:N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OCc3ccc(F)cc3F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEKDCCWWCDTIN-FVNWOWOISA-N", "SMILES:CCOC(=O)/C=C/C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOZUPCHLEFNXCQ-ZBFHGGJFSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBUNBDSGZDSPOW-AWEZNQCLSA-N", "SMILES:NC(=O)CN(NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJULIZYIKCRHDC-CVRLYYSRSA-N", "SMILES:CC(Cl)C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWAWANYVJZAVDW-CVRLYYSRSA-N", "SMILES:CC(F)C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUQMADSFHPCMU-CFMCSPIPSA-N", "SMILES:NC(=O)CN(NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1)C(=O)C(F)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAWPXXKZQMDSHA-UNEWFSDZSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1C[C@@H](C)CN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAWPXXKZQMDSHA-LXZKKBNFSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1C[C@H](C)CN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTJCPHELGTTJU-FMKPAKJESA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPDIGEIKNHAPDL-WNOSKKOXSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBGBILZXFCMBO-XIVBQZFQSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)C1(c3ccc(OC(F)(F)F)cc3)CC1)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTKGLFYFJLFPM-WBVHZDCISA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CC2(CC2)CN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVOZBDBCBCOLLA-UTKZUKDTSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1c2ccccc2CN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUTUHDJKXLGKQ-ZBFHGGJFSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1COCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGNCVZFJUZZGMT-QUCCMNQESA-N", "SMILES:NC(=O)C[C@@H](C#Cc1ccnnc1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHPRSHPMLNINTM-CTNGQTDRSA-N", "SMILES:NC(=O)C[C@@H](C#Cc1ccncc1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVBNYFOGAVBCDO-CTNGQTDRSA-N", "SMILES:COc1cccc(C#C[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)C2(c3ccc(OC(F)(F)F)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZPTWEABBIUVMB-QUCCMNQESA-N", "SMILES:NC(=O)C[C@@H](C#Cc1cccnn1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZADJXNBGZJGI-AEFFLSMTSA-N", "SMILES:Cc1nnc(C#C[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)C2(c3ccc(OC(F)(F)F)cc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKGFNGKPFHOSG-CTNGQTDRSA-N", "SMILES:NC(=O)C[C@@H](C#Cc1ccccn1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDCAJBKNSGTASV-XLIONFOSSA-N", "SMILES:NC(=O)C[C@@H](C#Cc1cnccn1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKOMXOZRYWHXFF-VGSWGCGISA-N", "SMILES:NC(=O)C[C@@H](C#Cc1c(F)cccc1F)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYRWBDVVRNRRH-QUCCMNQESA-N", "SMILES:NC(=O)C[C@@H](C#Cc1cccc(C(F)(F)F)n1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHGBLSJPVAMXRK-IRLDBZIGSA-N", "SMILES:NC(=O)C[C@@H](C#Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWVJBSHJGUQNC-MJGOQNOKSA-N", "SMILES:NC(=O)C[C@@H](C#Cc1ncccn1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIYFKSGZUBYFX-AEFFLSMTSA-N", "SMILES:NC(=O)C[C@@H](C#Cc1ncco1)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTQDRWIXYUDGW-NEPJUHHUSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFEQPYXSVWYDDU-ZJUUUORDSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZDWMFGNZAIER-OLZOCXBDSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(n2ncc(C)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWRBFNZCAZGMX-MJGOQNOKSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2cnn(Cc3ccccc3)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJBWJGLHJBONX-FLXSOZOKSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OCC3CCC3(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZMRNXPCROYLAN-QUCCMNQESA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccc(OCC3CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOXWKPHAZJZFU-WYSJICDVSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@]1(c2ccc(OC(F)(F)F)cc2)C[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOXWKPHAZJZFU-ODEMNLNRSA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@]1(c2ccc(OC(F)(F)F)cc2)C[C@@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVNLFPWMMSUWBB-XNGFIGEISA-N", "SMILES:C#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@]1(c2ccc(OC(F)(F)F)cc2)C[C@H](OC)C1"]}
{"name": "Transcription factor Sp1", "xref": ["CHEMBL.TARGET:CHEMBL6103"], "id": "UniProtKB:P08047", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFYDENHBPRCTN-NRFANRHFSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWIVWQCCFRSQN-FQQSSWHASA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLFAEGJLWNQDJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(O)c2cc3c(cc2CO)OCO3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFNRNFXZFIRNEO-NSHDSACASA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL25380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSYYQCDERUOEFI-JTQLQIEISA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5404697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWDHWRLYVYSFJ-DTIOYNMSSA-N", "SMILES:N=C(N)NCC(C[C@H](NCc1ccccc1)C(=O)O)[N+](=O)[O-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5420260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMOJJOOXIIVXMG-NPMYOEIQSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)/C=C/C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQSCDUAKLHSOEA-PISNEZEASA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYERMSAQTZZWTD-GMGKOPGTSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGXHUBBPQYQFO-DSTYWPJMSA-N", "SMILES:COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXSOTMXNHJTFKS-XLTVJXRZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQGNINFYAAEZKL-FSRLHOSWSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCN1CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCOPIRBPZIGHDU-CYZZXXEPSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTJPEPDXXOTQF-JEFWXSHNSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCN1CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJBZGRZGVKAUHH-CDRRMRQFSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCN1CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKISKGIPUPRZPL-SFCXHYMASA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCN1CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAJLKAMZDMZECA-FSRLHOSWSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGHSUUSYNYZHKK-JEFWXSHNSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCNc1ccc(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZBBHXKCFPTND-CDRRMRQFSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCNc1ccc(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFAVXSAHTAKLRF-SFCXHYMASA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCNc1ccc(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKINEBETXGZNQ-TYIYNAFKSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCNc1ccc(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFHQNJZGSNYNS-NWDJCJOJSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCNc1ccc(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMPZGMDXOECHS-SFCXHYMASA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCN1CCC3(CCC(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSVSFBLGUFRRC-JEFWXSHNSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCN1CC3(CCC(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)C1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUVKOFLIPGEIS-CDRRMRQFSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCN1CC(N3CCC(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)C1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJAHCIRRAPFPSF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCCC(C(=O)NCc5ccc(Cl)cc5)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCBILSQKHWBPBT-UHFFFAOYSA-N", "SMILES:CCc1ccc(CNC(=O)C2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJRIXDNZNCKODI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCCC(C(=O)NCc5ccc(F)cc5Cl)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFWRMNXQOMQMPD-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1)C1CCCN(c2ncnc3nn(-c4ccc(F)cc4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQLCXAMVKZMLSL-UHFFFAOYSA-N", "SMILES:CCc1ccc(CNC(=O)C2CCCN(c3ncnc4nn(-c5ccc(F)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUOWUZLQDJSCV-FQEVSTJZSA-N", "SMILES:CSc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQCTASAALQWNS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2cc3c(N4CCCC(C(=O)NCc5ccc(SC)cc5)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMLQGGCAZPZLK-UHFFFAOYSA-N", "SMILES:CSc1ccc(CNC(=O)C2CCCN(c3ncnc4nn(-c5ccc(C)c(F)c5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOFLQXAGMRXGFI-UHFFFAOYSA-N", "SMILES:CSc1ccc(CNC(=O)C2CCCN(c3ncnc4nn(-c5cccc(C)c5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSWAZJEAZRITM-PZJWPPBQSA-N", "SMILES:CSc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSWAZJEAZRITM-FPOVZHCZSA-N", "SMILES:CSc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSWAZJEAZRITM-TZIWHRDSSA-N", "SMILES:CSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSWAZJEAZRITM-CTNGQTDRSA-N", "SMILES:CSc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMLQGGCAZPZLK-LJQANCHMSA-N", "SMILES:CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4nn(-c5ccc(C)c(F)c5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMLQGGCAZPZLK-IBGZPJMESA-N", "SMILES:CSc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4nn(-c5ccc(C)c(F)c5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWYEFXZMBCIIH-UHFFFAOYSA-N", "SMILES:CSc1ccc(CNC(=O)C2CCCN(c3ncnc4nn(-c5ccc(O)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBGJWKYWOKTFNI-UHFFFAOYSA-N", "SMILES:CSc1ccc(CNC(=O)C2CCCN(c3ncnc4nn(-c5ccccc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPQCHJAWKAAKT-UHFFFAOYSA-N", "SMILES:CSc1ccc(CNC(=O)C2CCCN(c3ncnc4nn(-c5ccc(Br)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSWYQCSXRNOMX-GOSISDBHSA-N", "SMILES:CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4nn(-c5ccc(C(F)(F)F)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSWYQCSXRNOMX-SFHVURJKSA-N", "SMILES:CSc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4nn(-c5ccc(C(F)(F)F)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTUSZHLRRMMBOD-UHFFFAOYSA-N", "SMILES:CSc1ccc(CNC(=O)C2CCCN(c3ncnc4nn(-c5ccc(F)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEMKHIOGDNIYKW-LJQANCHMSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@@H](C(=O)NCc5ccc(Br)cc5)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOYOSXSKEOBXQK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Br)cc1)C1CCCN(c2ncnc3nn(-c4ccc(Br)cc4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEMKHIOGDNIYKW-IBGZPJMESA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5ccc(Br)cc5)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZUVOQRKOHMQEY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCCC(C(=O)NCc5ccc(Br)cc5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEMKHIOGDNIYKW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCCC(C(=O)NCc5ccc(Br)cc5)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRVBLRRDUCNLQ-KRWDZBQOSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5ccc(Br)cc5F)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHOPKYAEYOHJBO-HNNXBMFYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5c(F)cc(Br)cc5F)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMOJHFTBNRRGM-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)C2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBTXPPRAOJSXSO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCCC(C(=O)NCc5ccc(I)cc5)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHQCMJIOKCBAZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(CNC(=O)C2CCCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQCTASAALQWNS-FQEVSTJZSA-N", "SMILES:COC(=O)c1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5ccc(SC)cc5)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIOSHJCPGOFTBT-FQEVSTJZSA-N", "SMILES:CSc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4nn(-c5ccc(CO)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSRIPAMJVTBAV-HXUWFJFHSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@@H](C(=O)NCc5ccc6sccc6c5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSRIPAMJVTBAV-FQEVSTJZSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5ccc6sccc6c5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPVUYLFRBVBINJ-LJQANCHMSA-N", "SMILES:O=C(NCc1ccc2sccc2c1)[C@@H]1CCCN(c2ncnc3nn(-c4ccc(C(F)(F)F)cc4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPVUYLFRBVBINJ-IBGZPJMESA-N", "SMILES:O=C(NCc1ccc2sccc2c1)[C@H]1CCCN(c2ncnc3nn(-c4ccc(C(F)(F)F)cc4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTYDHVEVWPEJE-SFHVURJKSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5csc6ccccc56)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYWLYXPDZKBLW-KRWDZBQOSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5cc6cc(F)ccc6s5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKUVEJIXZKSAQ-FQEVSTJZSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5ccc6[nH]ccc6c5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVHAHLLYZTCMX-NRFANRHFSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5ccc6ncccc6c5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVZZGKGSJXBEFL-SFHVURJKSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5ccc6scnc6c5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFURAXQVTFLOLB-KRWDZBQOSA-N", "SMILES:O=C(NCc1ccc2scnc2c1)[C@H]1CCCN(c2ncnc3nn(-c4ccc(C(F)(F)F)cc4)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPHHKCMKMDFON-SFHVURJKSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5c[nH]c6ccccc56)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEXCTXHAIIENRE-IBGZPJMESA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5cc6ccccc6[nH]5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFSUGXKSDDWTL-KRWDZBQOSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5cc6cc(Cl)ccc6[nH]5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBYHAEJFNJOBTL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC(C(=O)NCc5ccc6sccc6c5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAAVPXCBTWQRMY-UHFFFAOYSA-N", "SMILES:CSc1ccc(CNC(=O)C2CCN(c3ncnc4nn(-c5ccc(C)c(F)c5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHRJUAYWFFMMJ-UHFFFAOYSA-N", "SMILES:CSc1ccc(CNC(=O)C2CCN(c3ncnc4nn(-c5ccc(C(F)(F)F)cc5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXBNPADWSUISJZ-QFIPXVFZSA-N", "SMILES:CN1CCN(c2ncnc3nn(-c4ccc(C(F)(F)F)cc4)cc23)C[C@H]1C(=O)NCc1ccc2sccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQWDPYKSGUYNU-QHCPKHFHSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCN(C)[C@H](C(=O)NCc5ccc6sccc6c5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPWFZVHRVMSJIY-QFIPXVFZSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCN[C@H](C(=O)NCc5ccc6sccc6c5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNEQDEPNUMZDMO-NRFANRHFSA-N", "SMILES:O=C(NCc1ccc2sccc2c1)[C@@H]1CN(c2ncnc3nn(-c4ccc(C(F)(F)F)cc4)cc23)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZISDMSLWIXCAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N(C)CCC(=O)NCc4ccc5sccc5c4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKMBZJCLDIZNY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCCC(C(=O)NCc5ccc6sccc6c5)CC4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOQQRDFJTAYCMW-QFIPXVFZSA-N", "SMILES:Cc1ccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccc6sccc6c5)C4)ncnc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPCXLZFJYPEAF-NRFANRHFSA-N", "SMILES:Cc1ccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccc6sccc6c5)C4)ncnc3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQBBSQXZCZKCL-KRWDZBQOSA-N", "SMILES:CSc1ccc(NNC(=O)[C@H]2CCCN(c3ncnc4nn(-c5ccc(C)c(F)c5)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIXNJNXIGGERSV-SFHVURJKSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NNc5ccc6sccc6c5)C4)ncnc3n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJCBYCGXWGPXJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCCC(C(=O)NCc5cccc(C)c5)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYCUTZNIOGCBCR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCCC(C(=O)NCc5ccc(F)cc5F)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAIPPANZBRWUJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCCC(C(=O)NCc5ccc([S+](C)[O-])cc5)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJMPHPDVYHBNJG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc3c(N4CCCC(C(=O)NCc5cccnc5)C4)ncnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFVHRDHVGOCNGI-BOXHHOBZSA-N", "SMILES:Cl.O=C(NCc1ccc2sccc2c1)[C@@H]1CN(c2ncnc3nn(-c4ccc(C(F)(F)F)cc4)cc23)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIVNAMAGZDBWML-LJAQVGFWSA-N", "SMILES:CCc1ccc(-c2c3c(nc4cc5c(cc24)OCO5)-c2cc4c(c(=O)n2C3)COC(=O)[C@]4(O)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBWPTDCTEBNBSQ-NDEPHWFRSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2-c1ccc(OC)cc1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL364360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSIGMVEGURPOY-MHZLTWQESA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2-c1ccc(C(F)(F)F)cc1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBSZCMKFZHQHQ-LJAQVGFWSA-N", "SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2-c1cc(OC)cc(OC)c1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPYDOCYVXSAKDL-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)c2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc2n(CCN2CCCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUQCRPKXSQAEDR-UHFFFAOYSA-N", "SMILES:COCCn1cnc2ccc(NC(=O)Nc3cccc(C(C)=O)c3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYCTRBNLDVBEL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXRGKXBCYCKLD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(N2CCN(c3ccc(C(=O)O)cc3NC(=O)c3ccc(Cl)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGVTNRFSIQSCI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c(NS(=O)(=O)c2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVGKPBRWGXGAEN-UHFFFAOYSA-N", "SMILES:Cc1cccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCN(c3ccc(Cl)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STBYLFMXKRLMNS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCN(c3ccc(F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIINMLZLLSSITE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NS(=O)(=O)c2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGFYAOXQQPYDJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NS(=O)(=O)c2cc(F)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDRHBJIZXFVOW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSSSBQYQXFIHCJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCN(c3ccccc3F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIVLVKNFGVGAQG-UHFFFAOYSA-N", "SMILES:Cc1cccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCN(c3ccc(F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQQFKKMUMVQJQG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCC(N3CCCCC3)CC2)c(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEANAEZOELHHCG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCN(c3cccc(C)c3)C(C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4999225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZLMGFVSXDPOW-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCC(N3CCCCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4897607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKAVPFIELUFCDM-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCC(CCN3CCCCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDLYOWUIROJSH-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCN(c3ccc(C(=O)O)cc3NC(=O)c3ccccc3)CC2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFRHFSDFUBERY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCCN(c3ccc(Cl)nn3)CC2)c(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIABCJSTTPEQDZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCC(N3CCCCC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTQGMMMVEGJBTI-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCN(c3ccc(C(=O)O)cc3NC(=O)c3ccc(F)cc3)CC2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRQRQVAIRXADX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(C3CCCCC3)CC2)c(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSKUDBGEKLISE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(N2CCN(c3ccc(C(=O)O)cc3NC(=O)c3ccc(F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWLGOFAUSUYFTF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3ccccn3)CC2)c(NC(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRZOTVTBPWVQF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1N1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLKBXMZJOCPHW-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUIMEQTRYPDMA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3cccc(F)c3)CC2)c(NC(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBZRZXSRWFGVEF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(N2CCN(c3ccc(C(=O)O)cc3NC(=O)c3ccccc3C)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGMSTFFPHPTHP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATZOQXAGGWWBC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(CC(=O)N3CCCC3)CC2)c(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBHYTINGRQUNC-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCN(c3ccccc3F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKNUZVKDNJJINL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NC(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZYUARQHQNQAKJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFREHQZOXNRMN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3ccccn3)CC2)c(NC(=O)c2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXLGDLZRXDAKC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUGZJARFTYFRNS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3cc(C(F)(F)F)ccc3C(F)(F)F)CC2)c(NC(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSOHUYUIGAQQRR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1N1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDKXTLAMVNOGOB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3cc(Cl)ccc3Cl)CC2)c(NC(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGNBQSYFJHXLJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1N1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYPSSNHIQRLNE-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1N1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCEHOBBNMWKUSG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1N1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLVYQWQPITRAM-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1N1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFJOADQLFSOOP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3cc(C(F)(F)F)ccc3C(F)(F)F)CC2)c(NC(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQNYVJLHKYJQT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c(NC(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKOFFQGLFCQTJG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3cc(C(F)(F)F)ccc3Cl)CC2)c(NC(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGYTSDTOBNHNW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3ccccc3C(F)(F)F)CC2)c(NC(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHCYHQWBNFTWNG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(NC(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAIVRAFLXRHGNX-CAHKVJEUSA-N", "SMILES:COc1nc(O[C@H]2CCc3c(-c4cccc(C(=O)Nc5ccc(CNC[C@@H]6CCC(=O)N6)cn5)c4Cl)cccc32)c(Cl)cc1CNC[C@@H]1CCC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYSYXGLBSQHLKG-UHFFFAOYSA-N", "SMILES:COc1nc(-c2cccc(-c3cccc(-c4nnc(Nc5cccc(CNCCO)c5)o4)c3C)c2C)ccc1CNCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBHCPKGGDANPV-ROJLCIKYSA-N", "SMILES:Cc1c(-c2nnc(Nc3cccc(CN4CC[C@@H](O)C4)c3)o2)cccc1-c1cccc(-c2nnc(Nc3cccc(CN4CC[C@@H](O)C4)c3)o2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAAOFYRWMEZJC-UHFFFAOYSA-N", "SMILES:COc1nc(-c2cccc(-c3cccc(-c4nnc(Nc5cccc(CNCCO)c5)o4)c3C)c2C)ccc1CNCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJVIUDSHUSULV-YTTGMZPUSA-N", "SMILES:COc1nc(O[C@H]2CCc3c(-c4cccc(C(=O)Nc5ccc(CNCCNC(C)=O)cn5)c4Cl)cccc32)c(Cl)cc1CNCCNC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMUQEMWTSGBEN-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c(Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(C)=O)C3=O)c(O)c(C(=O)CCC)c2O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4104192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABMAWOVWVRXUCA-UHFFFAOYSA-N", "SMILES:CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5415752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZDVDKOXKQGDM-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL289159", "category": ["biolink:ChemicalEntity"], "name": "TRYPROSTATIN A", "xref": ["InChIKey:XNRPVPHNDQHWLJ-PMACEKPBSA-N", "SMILES:COc1ccc2c(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)c(CC=C(C)C)[nH]c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5409299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIQQKPPVMPKSFE-ZGKYRPLCSA-N", "SMILES:CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3cc(-c4nnn(CC(=O)O)n4)ccc3O)C(=O)[C@@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLICPEOQCJBSLS-IBGZPJMESA-N", "SMILES:COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccc(OCc3nccn3C)c(OC)c2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5426932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBZTZOUPFZNTRM-QONXBGTDSA-N", "SMILES:COc1cc([C@@H](CC(=O)NCCC(=O)Nc2ccccn2)C2=C(O)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)CC2=O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5399482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSQDZNUNHKIWLF-FSCSNSASSA-N", "SMILES:COc1cc(CCNC(=O)C[C@@H](C2=C(O)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)CC2=O)c2ccc(SC)cc2)c([N+](=O)[O-])cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5437506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGABUBAWANOYSE-QZNUFANNSA-N", "SMILES:COc1cc([C@@H](CC(=O)NCCCN2CCOCC2)C2=C(O)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)CC2=O)ccc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5394140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIKJOGQIJBQEV-DEOSSOPVSA-N", "SMILES:COC(=O)C[C@@H](c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1oc(CN2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5400953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKSIXNPHIYEKJ-RGMHLJPOSA-N", "SMILES:CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)c2cc(OC)ccc2OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5405630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAQRVMWDXPUTN-KNQUPQQQSA-N", "SMILES:COC(=O)[C@@H](Cc1cccc([N+](=O)[O-])c1O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILIPBBZWUOMRBX-VULFUBBASA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)nc(N/N=C/c2cccc(Cl)c2)nc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLRSFUCICBWQO-AFUMVMLFSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)nc(N/N=C/c2cccc(O)c2)nc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKVJEWXMOVKCHS-UHFFFAOYSA-N", "SMILES:NC(=O)CCn1cc(-c2ccc3ncnc(Nc4cc(O)c(F)cc4F)c3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPZIHJPNSRPCF-UHFFFAOYSA-N", "SMILES:NC(=O)CCn1cc(-c2ccc3ncnc(Nc4cc(O)ccc4F)c3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCBAAPOFZFWPPT-UHFFFAOYSA-N", "SMILES:NC(=O)CCn1cc(-c2ccc3ncnc(Nc4ccc(F)c(O)c4)c3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWWMURRNHXEAV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVKTCHBAQITDX-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQSVILNXYBCBV-UHFFFAOYSA-N", "SMILES:CCn1c(SCC(=O)NNC(=O)c2ccccc2)nc2ccc([N+](=O)[O-])cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIBDINHPUKKPY-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccccc1)NNC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEVANGUYDIBCHO-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n(CC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDDFWHQTKEHMP-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n(CC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTMLGYOZNRPPEA-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n(CC(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3O)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSGWKJRWMNWAL-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc3ccccc3c2)nc1NN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWNQABUYZESQS-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc3ccccc3c2)nc1NN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGDOUBIPKVKILV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc4ccccc4c3)nc(NN)c2C#N)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTFPVGRUWFDKP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4cccc(F)c4)c(C#N)c(N)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSOHDKNIGFJJFW-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(C#N)C(c3ccccc3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCICWMIZVZGKFB-UHFFFAOYSA-N", "SMILES:COc1cc(C2NC(SCC(=O)Nc3ccc(C(C)=O)cc3)=NC(=O)C2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTJIXHIWOGNRFT-RUDMXATFSA-N", "SMILES:O=C(/C=C/c1cccc(F)c1)c1ccc(N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWVVKGQCSFGJGA-YCRREMRBSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(N3CCNCC3)cc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGONUYVQBHOIF-UHFFFAOYSA-N", "SMILES:N#CCc1nnc(NC(=O)c2ccco2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDVZUMGLAUVDB-VQHVLOKHSA-N", "SMILES:N#C/C(=C\\c1cccs1)c1nnc(NC(=O)c2ccco2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHKFGQGAIINOM-PXLXIMEGSA-N", "SMILES:O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(C(=O)NCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAKYIMYUIRRPCI-PXLXIMEGSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C/c4ccccc4)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLALJWSKFSDIG-XQNSMLJCSA-N", "SMILES:CCc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C/c4ccccc4)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHYTLLZKNDADI-MDWZMJQESA-N", "SMILES:O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKMVJSHBPYZMM-MDWZMJQESA-N", "SMILES:O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLXPAXJNZYLMSW-NTEUORMPSA-N", "SMILES:COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXOQYZVHSEOGB-RGVLZGJSSA-N", "SMILES:CN(C)c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPABRMNEQJDHGQ-ICFOKQHNSA-N", "SMILES:O=C(CN1C(=O)S/C(=C2\\Nc3ccccc3C2=O)C1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQXCCVHENANNE-VLGSPTGOSA-N", "SMILES:COc1ccc(NC(=O)CN2C(=O)S/C(=C3\\Nc4ccccc4C3=O)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABWUNUXMXZBYRM-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2/C1=N\\c1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOABHXILHLTKEY-MDWZMJQESA-N", "SMILES:COc1cc(/C=C2\\CCCn3c2nc2c(cnn2C)c3=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWYEDGCSGHCHN-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=Nn3c(N/N=C4\\C(=O)Nc5ccc(F)cc54)nnc3SC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWCEZKXAFMUQI-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c2c2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJIVHLLLDBCRK-UHFFFAOYSA-N", "SMILES:COC(C)Oc1cc2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2c2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSRNPROWJGWYAT-UHFFFAOYSA-N", "SMILES:COC(C)Oc1cc2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c2c2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZBDKDRVMCDXIA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Nc2nnc3c4c(cccc24)NC(=S)N3Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPOXISKDQGJBG-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nnc3c4c(cccc24)NC(=S)N3Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTGXOUZTUZHFH-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnc4c5nncn5c5ccccc5n34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIOCLXOQRITDEP-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc2c3nncn3c3ccccc3n12)Nc1ccc(C(=O)Nc2cncs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBFGYZJIKZDDLS-XODNFHPESA-N", "SMILES:O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOJCFUOUEFIFGX-MUFRIFMGSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVCZKXCJLLSBEI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2ncnc3sc4c(c23)CCOC4)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYIMBNUFDLING-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)Nc2ccc(Nc3ncnc4sc5c(c34)CCNC5)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHICATFFUNHOQF-UHFFFAOYSA-N", "SMILES:O=C(CCSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQORKPKGVKPSD-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(SCCC(=O)Nc3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFJCNSOLRVZSU-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2C2CC(C3CCCO3)=NN2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDFCCGPYHRMULU-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(C2CCCO2)CC1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHOMMXJDCXTWKV-XKZIYDEJSA-N", "SMILES:CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)/C1=C\\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLRQBYKTDVAMPK-SNAWJCMRSA-N", "SMILES:Cc1cnc2nc1-c1cccc(c1)COC/C=C/COCc1cc(ccc1OCCN1CCCC1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFFGKDZTGGLZGQ-OWOJBTEDSA-N", "SMILES:OCCN1CCN(c2ccc3cc2COC/C=C/COCc2cccc(c2)-c2ccnc(n2)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCHYSTQTMONBPK-SNAWJCMRSA-N", "SMILES:CN(C)CCN(C)c1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNMMXYNDBSAPI-SNAWJCMRSA-N", "SMILES:COc1ccc2cc1COC/C=C/COCc1cc(ccc1OCCN1CCCC1)Nc1nccc-2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLQLZSHSQNJKQ-LLVKDONJSA-N", "SMILES:CNC(=O)c1ccc(F)cc1[C@@H](C)Oc1nc(-c2cccnc2OC)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKWCRLSGXLINPN-GFCCVEGCSA-N", "SMILES:CNC(=O)c1ccc(F)cc1[C@@H](C)Oc1cc(-c2cn(C)nc2C)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXUFIECYEKHMLD-SNVBAGLBSA-N", "SMILES:COc1ccc(F)cc1[C@@H](C)Oc1cc(-c2cnnn2C)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3286820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASQDMAQHZGURLM-GFCCVEGCSA-N", "SMILES:Cc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKMRDBPMPYXBOZ-LBPRGKRZSA-N", "SMILES:C[C@@H]1Oc2cc(cnc2N)-c2c(C#N)nn(C)c2CCCOc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPDUZRKQTNYYQZ-WDEREUQCSA-N", "SMILES:C[C@H]1CNC(=O)c2ncn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADZCJCMMQXDPY-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)C(C)(C)C)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPUFYDDUPBNQZ-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)c3ccccc3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPOJSASYDQQEN-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3ccccc3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQJWRLOZCFNFFI-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)CCc3ccccc3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNBRNUZAOLDCR-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3ccccc3Cl)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGGQDYGZRABKOW-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3cccc(Cl)c3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUCZNCAYIBMAW-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3ccc(Cl)cc3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMZDBBJEIANLLR-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3cccc(F)c3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDOZOLAOAXOAM-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3cccc(C)c3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCAPAEMETNYEKY-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3ccc(C)cc3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPSAHEPXWMAISQ-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3ccccc3OC)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYZFXVVTBWQMN-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3cccc(OC)c3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZQGUDNARTDLT-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3ccc(OC)cc3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVJVJZYOUALSQV-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3cc(OC)cc(OC)c3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOPUSYCDVECQF-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3ccc(OC)c(OC)c3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNOKYCWQMVEDL-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)c1cc(-c2sc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)nc2C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVEKXARDBZZVSI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2sc(NC(=O)Cc3ccccc3)nc2C)cc1S(=O)(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJDJGEREFMUQSE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2sc(NC(=O)Cc3ccccc3)nc2C)cc1NS(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQXSZKUWVUMDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2sc(NC(=O)Cc3ccccc3)nc2C)cc1NS(=O)(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGHSXBHCGWGKMD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2sc(NC(=O)Cc3ccccc3)nc2C)cc1NS(=O)(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVBBDLBGUFDRZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2sc(NC(=O)Cc3ccccc3)nc2C)cc1NS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZYLWLRICQPEZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2sc(NC(=O)Cc3ccccc3)nc2C)cc1NS(=O)(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXJXJLGSWLSGHJ-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)Nc2nc(C)c(-c3ccc(OC)c(NS(=O)(=O)c4ccccc4)c3)s2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283403", "category": ["biolink:ChemicalEntity"], "name": "ENVIROXIME", "xref": ["InChIKey:IWKXBHQELWQLHF-CAPFRKAQSA-N", "SMILES:CC(C)S(=O)(=O)n1c(N)nc2ccc(/C(=N/O)c3ccccc3)cc21"], "synonym": ["Enviroxime", "Enviroxima", "Enviroxime component of viroxime  b", "LY 122772", "LY-122772", "LY122772", "NSC-346230", "Enviroxime"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZFREAWDZZKWGU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C(Cn2ccnc2)NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFHAJUPTDPBIG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)CC34CC5CC(CC(C5)C3)C4)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGJQDPRZCKKHQG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)C34CC5CC(CC(C5)C3)C4)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYQUNWGFFRLQW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C(=O)N4CCN(C(=O)CC56CC7CC(CC(C7)C5)C6)CC4)cc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL247473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKEBQZAUNGERGA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHYHMMSUWYWOK-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2Cc3ccc(S(=O)(=O)F)cc3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJWHSCYAWWAUKE-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccccc3C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWEWTHYJTCCIIF-UHFFFAOYSA-N", "SMILES:O=C1CCC(NC(=O)Cc2cccc(S(=O)(=O)F)c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHUAAAQVPKZPP-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)F)cc3C2=O)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXFJUNPGGLCGBA-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(S(=O)(=O)F)cc3C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAQCMELJCRZXNV-UHFFFAOYSA-N", "SMILES:O=C1CCC(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANUJVJMFPONSK-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cccc(OCc4ccc(CN5CCOCC5)cc4)c3C2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVHMEOMYGFPCIV-CLNRVIFCSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSZBBHQYVVVGDN-LNKBOCRRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YABWHPOODAWVRU-RETQXLQUSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYWWYCJTGSTQEL-XWYYWFNKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPVZMOBEKKYAC-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCCCN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFKMQJIAJLEJRU-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)CCCC3=O)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOVCPIDMCQHJP-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)CCC3=O)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIYFCAXVVTTLB-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)OCCC3=O)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXSQMTBEAIOLFP-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)COC3=O)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSVQDVRYSIVTA-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)OCCO3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXXZXFHNQPWLAW-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)OCO3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMRKOUIJDMMFB-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)CCS3(=O)=O)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPKZBCDJAUJOG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2cc(Nc3ncc(C(F)(F)F)c(NCCCN)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PROGKLMIRQVLRO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCCN)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCIEJKJISHFRA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCCN)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJNVRRLYQDPTMH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1Cc2ccc(Nc3ncc(C(F)(F)F)c(NCCCN)n3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDRCDECEAGIASX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCOc2cc(Nc3ncc(C(F)(F)F)c(NCCCN)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNHGKZWLRDZGJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCCc2cc(Nc3ncc(C(F)(F)F)c(NCCCN)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVTUCLLIZZCHG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCc2cc(Nc3ncc(C(F)(F)F)c(NCCCN)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQHWELPYCOZWEN-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)CCCN3S(=O)(=O)C2CC2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWPAJPVDYNPHY-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)CCN(S(=O)(=O)C2CC2)C3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHEWUAUHLOUTNY-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)CCN(S(=O)(=O)C2CCCCC2)C3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUXMHOXYCNMXPP-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABDKURZDFDTAX-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(Nc2ccc3c(c2)CCN(S(=O)(=O)c2ccccc2)C3)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKQYJXHKEPVJNX-UHFFFAOYSA-N", "SMILES:COCCCn1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQRJENQPCCJPJ-UHFFFAOYSA-N", "SMILES:CN1CC(C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCC(S(=O)(=O)C(F)(F)F)CC4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4938738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZIWKYGVDQKSB-UHFFFAOYSA-N", "SMILES:CCc1c(C)nc(N)nc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJKDPAZBYTTRQ-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2CC2)cc(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1573062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXUYRLEYFWAEC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)N2CCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWZLVLFHMBJNPX-KMYPOQQFSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CC(c3nc4ccccc4s3)C2)s1)[C@@H]1C[C@@H](OCCCCCO[C@H]2CN[C@H](C(=O)Nc3ccc(C(=O)N4CC(c5nc6ccccc6s5)C4)s3)C2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKOFQYJKPVCFRK-UHFFFAOYSA-N", "SMILES:CC1(C(=O)Nc2nc3cc(Br)ccc3s2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPNERQWLFMMSJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(N2CCC(C(N)=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314959", "category": ["biolink:ChemicalEntity"], "name": "HTL-9936", "xref": ["InChIKey:AQEAWDQQWHVFAX-KRWDZBQOSA-N", "SMILES:CCOC(=O)N1CCC[C@H](N2CCC(C(=O)NC3(C)CCC3)CC2)CC1"], "synonym": ["Htl-9936", "Htl0009936", "HTL9936"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRLGMWYTMNWST-BYYHNAKLSA-N", "SMILES:COc1cc(F)c(/N=N/c2c(F)cc(C(=O)Nc3ccccc3N)cc2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMJLDRKJRPJBF-UUQOLVESSA-N", "SMILES:COc1ccc(/N=N/c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPILBUZQLHSJK-FOCLMDBBSA-N", "SMILES:COc1ccc(/N=N/c2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUONIMKQOGQBCY-SIWUJPBOSA-N", "SMILES:COc1ccc(/N=N/c2ccc(/C=C/C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFAMDOICOLGFJT-WCWDXBQESA-N", "SMILES:COc1ccc(/N=N/c2ccc(C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLGJWKGSZVBOQT-PFGYVFLGSA-N", "SMILES:COc1cc(F)c(/N=N/c2c(F)cc(/C=C/C(=O)NO)cc2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHEUSEZPXXZXEX-MDTIVVSESA-N", "SMILES:COc1ccc(/N=N/c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLZIRHIVXNQEI-RYSIYLRZSA-N", "SMILES:COc1ccc(/N=N/c2ccc(/C=C/C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYWAZPLLBPPJQ-OCEACIFDSA-N", "SMILES:COc1ccc(/N=N/c2ccc(CCC(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTBHOGFLLZVCJ-VYKMNNOZSA-N", "SMILES:COc1cc(F)c(/N=N/c2c(F)cc(/C=C/C(=O)Nc3ccccc3N)cc2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWHQYMFFJQUJHI-VYKMNNOZSA-N", "SMILES:COc1cc(Cl)c(/N=N/c2c(Cl)cc(/C=C/C(=O)Nc3ccccc3N)cc2Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBORFGCCVMZRQH-VYKMNNOZSA-N", "SMILES:COc1cc(F)c(/N=N/c2c(F)cc(/C=C/C(=O)Nc3ccccc3N)cc2Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOURCTSAWBAUNR-XCSIPZCGSA-N", "SMILES:CN(C)c1cc(F)c(/N=N/c2c(F)cc(/C=C/C(=O)Nc3ccccc3N)cc2F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVKMPODTVXGHOZ-XCSIPZCGSA-N", "SMILES:CN(C)c1cc(Cl)c(/N=N/c2c(Cl)cc(/C=C/C(=O)Nc3ccccc3N)cc2Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3085821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDQCWGIXZGDJNL-IYARVYRRSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMQLLTKSISGWHQ-WKILWMFISA-N", "SMILES:CNC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMTWXZNVNBBFLC-SHTZXODSSA-N", "SMILES:NC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULQCYDXROAATLP-AQYVVDRMSA-N", "SMILES:O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)N1CCc2ncccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOILAGGRVCPSJ-VJMAFPLCSA-N", "SMILES:O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)C1=CC2C=CC=CC2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBWDEIFOMNBGRY-MEMLXQNLSA-N", "SMILES:O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGPPAABCUOMAQN-PGWJBFNOSA-N", "SMILES:O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOSXOCMQQISHPL-IYARVYRRSA-N", "SMILES:COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNSLCCULUHMZBQ-KESTWPANSA-N", "SMILES:CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)N(C)C)CC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IONAUXJNMRGVRI-UAPYVXQJSA-N", "SMILES:CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)NC)CC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDNXPOWBJOJRJ-RZFKFIIISA-N", "SMILES:CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)N4CCc5ncccc5C4)CC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOJAWPAIUACMCV-ZJBHJZIXSA-N", "SMILES:CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)C4=CC5C=CC=CC5N4)CC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWTCRTQGMATJRY-HCGLCNNCSA-N", "SMILES:CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4ccnc5ccccc45)CC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSNLCMKFRUHLTG-YLIUREIVSA-N", "SMILES:CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4ccc(-c5cccnc5)cc4)CC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCLKFMYEUGDOO-KESTWPANSA-N", "SMILES:CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)COC)CC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUUSXXFKLPMJKL-IYARVYRRSA-N", "SMILES:COc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)N(C)C)CC3)CC2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVPFZRJDQVOOKQ-WGSAOQKQSA-N", "SMILES:COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(OC)c3F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQLFNWINMCVDSP-QAQDUYKDSA-N", "SMILES:CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWGBSERBTNODSZ-MEMLXQNLSA-N", "SMILES:O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1)c1ccnc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBRCCCOMNXSPK-IYARVYRRSA-N", "SMILES:COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLPQCZWUVHUDG-MEMLXQNLSA-N", "SMILES:CCc1cc(Cl)c(OC)c(N2CCN(CC[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOGYUWOPZFTRE-MXVIHJGJSA-N", "SMILES:CCc1cc(Cl)c(OC)c(N2CCN(CC[C@H]3CC[C@H](NC(=O)N(C)C)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCPWQZWEFUJGL-WGSAOQKQSA-N", "SMILES:CCc1cc(Cl)c(OC)c(N2CCN(CC[C@H]3CC[C@H](NC(=O)NC)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFXHNRQNXGVDMC-IYARVYRRSA-N", "SMILES:CCc1cc(Cl)c(OC)c(N2CCN(CC[C@H]3CC[C@H](NC(N)=O)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJUDLZOPHLXIK-WDDOOKFPSA-N", "SMILES:CCc1cc(Cl)c(OC)c(N2CCN(CC[C@H]3CC[C@H](NC(=O)C4=CC5C=CC=CC5N4)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNKRCZBNZOMQJ-MEMLXQNLSA-N", "SMILES:CCc1cc(Cl)c(OC)c(N2CCN(CC[C@H]3CC[C@H](NC(=O)CCOC)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEDLOLJNNJYOJS-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLKQPDXOAFUSN-UHFFFAOYSA-N", "SMILES:COCCC(=O)N1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSRXUCPMMXTPD-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N1CCC(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWPVOADZQCQUKW-UHFFFAOYSA-N", "SMILES:COCCC(=O)N1CCC(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJIJWNRDYCZCK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N1CCC(O)(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXESQSFCTJSSQN-UHFFFAOYSA-N", "SMILES:COCCC(=O)N1CCC(O)(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKVOQKSMJIDFBY-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N1CCC(O)(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAZGZSIAUUOWKB-UHFFFAOYSA-N", "SMILES:COCCC(=O)N1CCC(O)(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTWOITAHBIZVDR-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)OCCN3CCOCC3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNXTFXUNODRGS-XQPBXVTESA-N", "SMILES:CCN(CC)C(=O)C1CCN(C(=O)c2ccc(NC(=O)N[C@@]34C[C@@H]5C[C@@](C)(C[C@@](C)(C5)C3)C4)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIRAZTUEKRBLOY-JRBPCRLRSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)N4CCC(C(=O)NCCO)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCBAFPCVFKSPV-RJVBHCBSSA-N", "SMILES:CC(O)CNC(=O)C1CCN(C(=O)c2ccc(NC(=O)N[C@@]34C[C@@H]5C[C@@](C)(C[C@@](C)(C5)C3)C4)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFUHZWXHWXOJY-LRBJVWHZSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)N4CCN(CCO)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXXQTICKPYWNLU-JRBPCRLRSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)N4CCC(C(=O)N(CO)CO)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDTNULQTBRRSAI-YAXWYXABSA-N", "SMILES:CCN(CC)C(=O)C1CCCN(C(=O)c2ccc(NC(=O)N[C@]34C[C@@H]5C[C@@](C)(C[C@@](C)(C5)C3)C4)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWOMMAZLURRZKO-IXMACJLESA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@](NC(=O)Nc1ccc(C(=O)N4CCCC(C(=O)NCCO)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOFDHHKZSXWKGI-KQNOVARGSA-N", "SMILES:CC(O)CNC(=O)C1CCCN(C(=O)c2ccc(NC(=O)N[C@]34C[C@@H]5C[C@@](C)(C[C@@](C)(C5)C3)C4)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKRNFCMYGOKOE-QNXIOAPASA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)N4CCCC(C(=O)N5CCN(CCO)CC5)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHGZGQIJUIIJK-ZZAIXUPFSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)N4CCCC(C(=O)O)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJCOLUSEMBCROD-LTYAUFORSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CCNC(=O)C2CCC(NC(=O)c3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIWEDCWYUSJIN-BKILFJMMSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)NC4CCC(C(=O)N5CCC(CCO)CC5)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOXLSPJMAVKFC-CNNOMXIDSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)NC4CCC(C(=O)NCCO)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHAVZQLEXFITKY-LVNTTWSVSA-N", "SMILES:CC(O)CNC(=O)C1CCC(NC(=O)c2ccc(NC(=O)N[C@@]34C[C@@H]5C[C@@](C)(C[C@@](C)(C5)C3)C4)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZXZYDIQOOAMN-PQLLNVPYSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)NC4CCC(C(=O)N(CCO)CCO)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJICWUYAFGZHTR-SPDOZCBDSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)NC4CCC(C(N)=O)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHQROODSKDUDO-PKQRLPCPSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)NC4CCC(C(=O)NC(CO)CO)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGOMXPNDYJJRAD-MZONKSDOSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(C(=O)NC4CCC(C(=O)NC(CO)(CO)CO)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEVGIVBXCBGHRA-LXALKUJLSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCCC(C(=O)O)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXWAKPJRWGLFA-LXALKUJLSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCCC(C(N)=O)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCEXPVHBUXQGRX-QPNWFBMVSA-N", "SMILES:CN(C)C(=O)C1CCCN(Cc2ccc(NC(=O)N[C@@]34C[C@@H]5C[C@@](C)(C[C@@](C)(C5)C3)C4)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJDWWLWYEPOUGR-DMTJGRNJSA-N", "SMILES:CCN(CC)C(=O)C1CCCN(Cc2ccc(NC(=O)N[C@@]34C[C@@H]5C[C@@](C)(C[C@@](C)(C5)C3)C4)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHJEJKNMCMAHF-YZHMATSHSA-N", "SMILES:CC(O)CNC(=O)C1CCCN(Cc2ccc(NC(=O)N[C@@]34C[C@@H]5C[C@@](C)(C[C@@](C)(C5)C3)C4)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUHQUUAOYFAGMI-DMTJGRNJSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCCC(C(=O)N(CCO)CCO)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICCSYSACCJYROC-QPNWFBMVSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCCC(C(=O)NCCO)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZJGOHNUDKAFPT-JGOOLFFLSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCCC(C(=O)NC(CO)CO)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQLBABMQVSJYMY-GXHZWTQJSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCCC(C(=O)NC(CO)(CO)CO)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGRHRNNEYSXOLS-GVDMGERRSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCCC(C(=O)N5CCN(CCO)CC5)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVBQMIAIDHNOOF-LRBJVWHZSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCC(C(N)=O)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATIGOWXJGDVYIL-DZAOAJEASA-N", "SMILES:CC(O)CNC(=O)C1CCN(Cc2ccc(NC(=O)N[C@@]34C[C@@H]5C[C@@](C)(C[C@@](C)(C5)C3)C4)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWJQTNBZUZKTCJ-QABPAKMRSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCC(C(=O)NC(CO)CO)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZJVBQRAKGSQFJ-RBZULBDTSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCC(C(=O)NC(CO)(CO)CO)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORXRLWLQWLMRB-XUHRFWLISA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCC(C(=O)N(CCO)CCO)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQQINJZHEYGUSV-XPEBGORWSA-N", "SMILES:CC(=O)N1CCCN(C(=O)C2CCCN(C(=O)c3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDDFSGQTCDBGNI-OCKHGLHXSA-N", "SMILES:CCC(=O)N1CCCN(C(=O)C2CCCN(C(=O)c3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWJHZLEOBMELK-AYJDQSAZSA-N", "SMILES:CCC(C)C(=O)N1CCCN(C(=O)C2CCCN(C(=O)c3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRRTPHESRMGJC-COLOTUKFSA-N", "SMILES:CCC(=O)N1CCCN(C(=O)C2CCCN(Cc3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTQGLFUOFTPKC-LBGAVVDNSA-N", "SMILES:CCC(C)C(=O)N1CCCN(C(=O)C2CCCN(Cc3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOIQPRXFURMSKK-COLOTUKFSA-N", "SMILES:C=CC(=O)N1CCCN(C(=O)C2CCCN(Cc3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXIVBXISBCVAR-SRKJWJKISA-N", "SMILES:C=C(C)C(=O)N1CCCN(C(=O)C2CCCN(Cc3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIWENJFYBHLJG-LKOMFGNZSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCCC(C(=O)N5CCCN(C(=O)C6CC6)CC5)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLVPJOSPCNACL-JVTIHQILSA-N", "SMILES:CCC(=O)N1CCC(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHKBQXNDPPSCFF-VMNXPCSASA-N", "SMILES:CCC(C)C(=O)N1CCC(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@H](C[C@@](C)(C6)C4)C5)c(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGPULJGLOILVHQ-SICKRWCLSA-N", "SMILES:C=C(C)C(=O)N1CCC(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)cc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRIYCZSQOASQOL-VNCYCWBVSA-N", "SMILES:CC(CN(C)C)N1CCC(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXBNNUVUBQZPJF-VQQVVXBWSA-N", "SMILES:CC(=O)N1CCC(CC(=O)N2CCCN(Cc3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJJHHWWUHDTDAN-CKDIQZBDSA-N", "SMILES:CCC(=O)N1CCC(CC(=O)N2CCCN(Cc3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZLXKWDKAWAJS-MGLIASHWSA-N", "SMILES:CCC(C)C(=O)N1CCC(CC(=O)N2CCCN(Cc3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULYLBFRAZWZHN-FQHNBINKSA-N", "SMILES:COC(=O)N1CCC(CC(=O)N2CCCN(Cc3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYFXVFGFAYLIT-VQQVVXBWSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCCN(C(=O)CC5CCN(CCO)CC5)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUNBJBSANSGSZ-KYMJIQJLSA-N", "SMILES:C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NC(=O)Nc1ccc(CN4CCCN(C(=O)CC5CCN(CC(O)CO)CC5)CC4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDLLBGZLWPZIH-NSZIZXLJSA-N", "SMILES:CN(C)CCN1CCC(CC(=O)N2CCCN(Cc3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLYESPFYBZLRR-VSMNSYOWSA-N", "SMILES:CCN(CC)CCN1CCC(CC(=O)N2CCCN(Cc3ccc(NC(=O)N[C@@]45C[C@@H]6C[C@@](C)(C[C@@](C)(C6)C4)C5)c(F)c3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMWLTMQDPYQPOG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH]c(C(=O)NO)cc3c2)cc1"]}
{"name": "Thrombospondin-1", "xref": ["CHEMBL.TARGET:CHEMBL4630810"], "id": "UniProtKB:P07996", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein Musashi homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL5465344"], "id": "UniProtKB:Q96DH6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJELPBBNTSGEJK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2ccc3sc(C(=O)NO)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCSODVERGVDLT-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCNC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJHHOIAXXNELMU-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCN1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQACKQULYYZCQJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCN1CCCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNAJWGNXYVMGEC-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCNCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRLCTAUFPOTPH-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCNC1CCC(N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIOOEKCKHDQQKZ-UHFFFAOYSA-N", "SMILES:CN(C)CCNCCn1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNUNAHQKDMBSDA-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2ccccc2C2CCCC(=O)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQFUKBAHMUVXDA-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKDNDJWEBPQKCS-YJDKGBRESA-N", "SMILES:COC1CCC(n2c([C@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZGQYRALRQXFZ-AUNFYEFLSA-N", "SMILES:COc1ccc2c(c1)N(CCC/C=C/c1cccc3c1N[C@@H](C)C(=O)N3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXQPLOXVAGCQRG-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCCc2cc(NC(=O)c3cccc(-c4ccncc4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2142704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPWQLMHOSRDMA-UHFFFAOYSA-N", "SMILES:CC1CC(=O)Nc2ccccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMLSUMPPVZBRRT-UHFFFAOYSA-N", "SMILES:CCC1C(C(=O)NCc2c(O)ccc3cccc(O)c23)NC(C)C1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUZXROYRSNHSD-UHFFFAOYSA-N", "SMILES:NNc1nn2c(C(F)(F)F)nnc2c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQLYWWADYJRNDD-ZMOGYAJESA-N", "SMILES:Oc1ccc(/C=N/Nc2nn3c(-c4ccc(Cl)cc4)nnc3c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPAFAUYWVZMWPR-KHTMYQNFSA-N", "SMILES:CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO.Cl"]}
{"name": "Alpha-N-acetylglucosaminidase", "xref": ["CHEMBL.TARGET:CHEMBL5465292"], "id": "UniProtKB:P54802", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJIHMALTJRDNQI-WBHXJHRCSA-N", "SMILES:Cl.OC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOEMAHVAKXNUJI-HBCRKSHMSA-N", "SMILES:Cl.OC[C@H]1[C@H](O)[C@@H](O)[C@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQFACEKDJKFAIT-AEHWYBPMSA-N", "SMILES:COCCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOMFPMNFGUSIKQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKMHYNDBBVNAX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(F)(F)F)ccc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYKAZDUIZMLHK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(S(F)(F)(F)(F)F)ccc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCTYUJPLMLUQI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(C(F)(F)F)ccc1NCCc1c[nH]c2cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILMIYDPNAZCUKV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(CCNc3ccc(C(F)(F)F)cc3C(=O)O)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODVGTHDEMMYPW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(CCNc3ccc(S(F)(F)(F)(F)F)cc3C(=O)O)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRODODNCCTIOL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(CCNc1ccc([N+](=O)[O-])cc1C(=O)O)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVDFEEWXDDADBG-UHFFFAOYSA-N", "SMILES:Cn1cc(CCNc2ccc([N+](=O)[O-])cc2C(=O)O)c2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPHZQZOEATXSQO-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1c(CCNc1ccc([N+](=O)[O-])cc1C(=O)O)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSLZMUNSYBEMJM-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ccccc2c1CCNc1ccc([N+](=O)[O-])cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMACALOHIRIIT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1coc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPSKQCSGQNNJG-UHFFFAOYSA-N", "SMILES:Cn1cc(CCNc2ccc([N+](=O)[O-])cc2C(=O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUWLZLECDWAFU-UHFFFAOYSA-N", "SMILES:COc1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KICIHZWOGVIVMX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(OC(F)F)ccc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKMTXNTOPCVOT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBAJFXUTFQGQH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Br)ccc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMACWTIHZLGTLY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)ccc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRNZETHOQYGLNM-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTZBEQVIHRDED-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEKYKJSTRPKKY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHZSNUSFIUCOCH-UHFFFAOYSA-N", "SMILES:Nc1cc(NCCc2c[nH]c3ccccc23)c(C(=O)O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFLNGLSNUTNMG-UHFFFAOYSA-N", "SMILES:COc1cc(NCCc2c[nH]c3ccccc23)c(C(=O)O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFLVTOQJPRCSY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc([N+](=O)[O-])c(Br)cc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNKPEAVJHRIXJX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Br)cc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQDAHXXAKNHOJA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C(F)(F)F)cc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIGWJQALOEVKJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc([N+](=O)[O-])cc1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVDZAHIXXZVRSI-UHFFFAOYSA-N", "SMILES:Cc1cc([N+](=O)[O-])cc(C(=O)O)c1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEFTWEXMOFWWNB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc([N+](=O)[O-])c1NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFKYLNGVYDRHQY-UHFFFAOYSA-N", "SMILES:Cn1cc(CCNc2ccc([N+](=O)[O-])cc2C(=O)O)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HERHKHDLLDTTOJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(CCNc3ccc([N+](=O)[O-])cc3C(=O)O)cn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYXOSIVDNXWNLM-UHFFFAOYSA-N", "SMILES:Cn1cc(CCNc2ccc([N+](=O)[O-])cc2C(=O)O)c2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNOCMZIRTIXMIA-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(CCNc3ccc([N+](=O)[O-])cc3C(=O)O)cn(C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YECNFOINGSEHDU-UHFFFAOYSA-N", "SMILES:Cn1cc(CCNc2ccc([N+](=O)[O-])cc2C(=O)O)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIFATCZEERAEMN-UHFFFAOYSA-N", "SMILES:Cn1cc(CCNc2ccc([N+](=O)[O-])cc2C(=O)O)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWSNASOWCNIMEX-UHFFFAOYSA-N", "SMILES:Cn1cc(CCNc2ccc([N+](=O)[O-])cc2C(=O)O)c2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1257080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCUDBCPCDKEAKO-GLCFPVLVSA-K", "SMILES:Cc1nc(/N=N/c2ccc(C(=O)[O-])cc2)c(COP(=O)([O-])[O-])c(C=O)c1O.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRZSXZWFJHEZBJ-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL366861", "category": ["biolink:ChemicalEntity"], "name": "FUMARPROTOCETRARIC ACID", "xref": ["InChIKey:VEGGRTFDFMUBPD-ONEGZZNKSA-N", "SMILES:Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(COC(=O)/C=C/C(=O)O)c(O)c(C(=O)O)c(C)c1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5401470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNBJCVYANBEAGR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc([N+](=O)[O-])c2c1NC(c1ccc(Cl)cc1)C1CC=CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256057", "category": ["biolink:ChemicalEntity"], "name": "ACID BLUE 25", "xref": ["InChIKey:LIKZXCROQGHXTI-UHFFFAOYSA-M", "SMILES:Nc1c(S(=O)(=O)[O-])cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAMQOEBTONSQRF-UHFFFAOYSA-M", "SMILES:Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLSYHLURTGEIBH-UHFFFAOYSA-N", "SMILES:O=c1c(O)cccc2ccc(O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5413135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHWIRFKQZFSILU-MKMLRUMESA-K", "SMILES:Cc1nc(/N=N/c2cc(S(=O)(=O)[O-])c3cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(COP(=O)([O-])O)c(C=O)c1O.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNNORKJHDXCOLW-LEUHYNBTSA-N", "SMILES:CC1=C(C)C2C(c3ccc(Cl)cc3)=N[C@@H](CC(=O)NCCCOCCOCCOCCCNC(=O)COc3c(Br)cc(/C=C4\\C(=O)Nc5ccc(I)cc54)cc3Br)c3nnc(C)n3C2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKHSRYCMGLAER-FBOXOMFYSA-N", "SMILES:C=CC(C)(O)C(=O)N(C(=O)NCCOCCOCCNC[C@@H](O)COc1ccc(OCCc2ccccc2)c(OCCCc2ccccc2)c1)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVBWUBDTABZRQC-IKTQTWKJSA-N", "SMILES:COC1C(OC(=O)/C=C/C=C/C=C/C=C/C(=O)NCCOCCOCCNCc2cccc(OCc3ccccc3)c2)CCC2(CO2)C1C1(C)OC1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLBGKJLIDOOAA-RRHRGVEJSA-N", "SMILES:O[C@H](CNCCOCCOCCOc1ccc(-c2c(-c3ccccc3)nn3c(C(F)(F)F)cc(C(F)(F)F)nc23)cc1)COc1ccc(OCc2ccccc2)c(OCCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVLQXXIZZCECQT-TZBSWOFLSA-N", "SMILES:O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCOCC(=O)Nc1ccc([As](O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRXGZMOAIBXQML-WHSBFGAESA-N", "SMILES:COc1ccc([As](O)O)cc1NC(=O)COCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSDNMUBZQNFOW-SECBINFHSA-N", "SMILES:CN1CC[C@@H](C(=O)Nc2ccc([As](O)O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPWHJPOHNBRRM-MRXNPFEDSA-N", "SMILES:CN1CC[C@@H](C(=O)N(Cc2ccccc2)c2ccc([As](O)O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKFQTYWIAJHAPD-JOCHJYFZSA-N", "SMILES:O=C([C@@H]1CCN(Cc2ccccc2)C1)N(Cc1ccccc1)c1ccc([As](O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXEHZSWUYHSECE-HSZRJFAPSA-N", "SMILES:CCN1CCC(CN(C(=O)[C@@H]2CCN(Cc3ccccc3)C2)c2ccc([As](O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXEHZSWUYHSECE-QHCPKHFHSA-N", "SMILES:CCN1CCC(CN(C(=O)[C@H]2CCN(Cc3ccccc3)C2)c2ccc([As](O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQHPMILNXZOSKP-UCAZTWLPSA-N", "SMILES:O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCN1CCC(CN(C(=O)[C@@H]2CCN(Cc3ccccc3)C2)c2ccc([As](O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXNOHKIFWJMYOR-PSXMRANNSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(CCCC(=O)N1CCC(CN(C(=O)[C@@H]3CCN(Cc4ccccc4)C3)c3ccc([As]4SCCS4)cc3)CC1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGPGKUQNWNDQJP-RUZDIDTESA-N", "SMILES:CCN1CCC(CN(C(=O)[C@@H]2CCN(Cc3ccccc3)C2)c2ccc([As]3SCCS3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJJROQBVMHBPRW-VWYCJHECSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"name": "Xaa-Pro dipeptidase", "xref": ["CHEMBL.TARGET:CHEMBL4185"], "id": "UniProtKB:P12955", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYJACALVAPOPKZ-RDBSUJKOSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRXYFIQJDNGIC-VGMNWLOBSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRQQUMOBIHZMG-VWYCJHECSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCLCHJWFVUTOCB-AEJSXWLSSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULBOXCVDXKITNH-VWYCJHECSA-N", "SMILES:CCCC[C@@H](N)[C@H](O)C(=O)N1CCC[C@H]1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRUEOQSYWTDPD-VWYCJHECSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIFZZGCLICXDJ-RBJPIILSSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBRFGPTTHWJSA-AEJSXWLSSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXHVDBYWCMDJKG-XQQFMLRXSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRHRIFVGXCGFO-LSJOCFKGSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@@H](N)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDAUKKNPSNVQFQ-CFVMTHIKSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)c1ccc2ccoc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQBDZKHESMQYIN-LSJOCFKGSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@@H](N)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNBDXNYNQGAOZ-VLEAKVRGSA-N", "SMILES:COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMDXJQFXIWBAQY-WOPDTQHZSA-N", "SMILES:COC(=O)[C@@H]1CC2(CC2)CN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCPPXIFBYYQLZ-USZNOCQGSA-N", "SMILES:COC(=O)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTQYRMOUYIPSEO-WOPDTQHZSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLBPHBVGPKRALK-UTLUCORTSA-N", "SMILES:CC(C)C[C@@H](N)[C@H](O)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRRKDOOWGZWPQ-VWYCJHECSA-N", "SMILES:CONC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURIXNGDQBWDKK-UTLUCORTSA-N", "SMILES:CC(C)C[C@@H](N)[C@H](O)C(=O)N1CCC[C@H]1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZJJZCIADBGDN-ILXRZTDVSA-N", "SMILES:CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL311875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUUZAPYLPWFHE-HXFGRODQSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5435178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSHRXFNVDRDFX-QEOTZNIISA-N", "SMILES:COC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDGWXTZHZSHZBC-QPSCCSFWSA-N", "SMILES:COC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVCXDFLMGZZAIX-XWSJACJDSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIJPBYWZPRDUHB-UGUYLWEFSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEQHMVBCYFDFOD-QRJUGERDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLYPXKKRXVOAO-QPSCCSFWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNJSHMDQRDCFH-QZWWFDLISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVNDTEMZANHIKA-FYQPLNBISA-N", "SMILES:CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHXMXUYQSIHOPR-UGUYLWEFSA-N", "SMILES:CONC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTQPVFOBOFEHID-OWSLCNJRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMANFJBEIMVPBB-QZWWFDLISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)NS(=O)(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGCYMUXMRJYOK-QZWWFDLISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)NCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRQCXVJPXACRSE-OWSLCNJRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)NC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXDLJCGIREBFP-LDVJMBRRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDPHWJRYRHPRJ-WKAQUBQDSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)NCCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJTVKGKEVVYDH-VZVHPENPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)NCCc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOTHAHAWGTUZAM-VVZGZWEYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)NCCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQECEIAIQPPJBS-AGIUHOORSA-N", "SMILES:CC(C)C[C@@H](N)[C@H](O)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZKBRKBOWQKTAH-ILXRZTDVSA-N", "SMILES:CC(C)C[C@@H](N)[C@H](O)C(=O)N1CCC[C@H]1C(=O)OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQIASZVYGLIAT-QPSCCSFWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZNIWFDMKZXOX-VLEAKVRGSA-N", "SMILES:COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSQMRWIBDJSWPH-ZJUUUORDSA-N", "SMILES:CC(C)C[C@@H](N)[C@H](O)C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APEXNMHXWBGADO-ILXRZTDVSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIFONLHRMYFHD-TUAOUCFPSA-N", "SMILES:CC(C)C[C@@H](N)[C@H](O)C(=O)N1CCC[C@H]1CNS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKQWKHUYNQALT-WGDIFIGCSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCNCCCF)cc2F)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMIRQFJCNZJGJ-NIYFSFCBSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cc2)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLLEYDANXDWBB-NIYFSFCBSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCNCCCF)c2)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAPOPIKHLWHYAM-NFQMXDRXSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCCNCCCF)c2)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMDANWILQUQHS-PIIWDFAUSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCCN3CC(CF)C3)c2)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHENSOMXPCUMFT-NIYFSFCBSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(NCCNCCCF)c2)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWKZKDOHHOCIU-NFQMXDRXSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(N(C)CCNCCCF)c2)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIEXFLDLMUXGOD-XHCCPWGMSA-N", "SMILES:COc1cc(OCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOCZFGTCUQABN-NIYFSFCBSA-N", "SMILES:COc1c(OCCNCCCF)cccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGXNITFFRCUOPE-XHCCPWGMSA-N", "SMILES:COc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXMZHZIRZGMBCB-WGDIFIGCSA-N", "SMILES:COc1cc(OCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYOKAVMSWLCMH-WXTAPIANSA-N", "SMILES:COc1cc(OCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLEVNGBZPKFBLQ-WGDIFIGCSA-N", "SMILES:COc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBZHJBCKSTPQK-WXTAPIANSA-N", "SMILES:COc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTVFIJYDQIRSV-MZNJEOGPSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCNCCCF)c2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTNEYDLIVCLGL-VOIUYBSRSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OCCNCCCF)ccc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSZIELZVRSLDCC-VOIUYBSRSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)cc(OCCNCCCF)c2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYDSJLZRONWCJO-VOIUYBSRSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(F)c(OCCNCCCF)c2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPHZYQGDXOLKS-VOIUYBSRSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCNCCCF)c2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDFODPGZJWMOLV-IQGLISFBSA-N", "SMILES:Cc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUUWWYUNNNZAAI-IQGLISFBSA-N", "SMILES:Cc1cc(OCCNCCCF)cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NODYJIOXWJBFFN-IQGLISFBSA-N", "SMILES:Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(F)(F)F)cc1OCCNCCCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRTREOMLNXYRCK-CRICUBBOSA-N", "SMILES:Cc1c(OCCNCCCF)cccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHHNYKYQYVKKQ-CRICUBBOSA-N", "SMILES:Cc1ccc(OCCNCCCF)c(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLFYCSZCDRJXFS-PUAOIOHZSA-N", "SMILES:Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSOGGXGYQZCBL-WGDIFIGCSA-N", "SMILES:Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULLTNVDYCQIAT-PUAOIOHZSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFDFZWVNAVIIKM-XGCWNURASA-N", "SMILES:Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSMOAXIFSMQRE-KMVLGAPJSA-N", "SMILES:Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSMOAXIFSMQRE-HQWTYURQSA-N", "SMILES:Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQHPNIHSLVBKS-PAPQREIWSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1C[C@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWDZJIZWQEYKX-DORSKGMSSA-N", "SMILES:Cc1c(OCCN(C)CCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFQOQCQVFRGWOZ-QLPUUCHCSA-N", "SMILES:Cc1c(OCCN2CC(CF)C2)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHAEPDWKOSCPH-RYUVBPIJSA-N", "SMILES:Cc1c(OCCNCCCF)ncc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHAEPDWKOSCPH-RJYGXOMWSA-N", "SMILES:Cc1c(OCCNCCCF)ncc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXZYOKABAPSHMB-UYPAYLBCSA-N", "SMILES:Cc1c(OCCN(C)CCCF)ncc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXZYOKABAPSHMB-CUAXAMRHSA-N", "SMILES:Cc1c(OCCN(C)CCCF)ncc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZMYBKUBNJJYQD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(ncn2C)n(CC#Cc2cccc(O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBRAFRVCHYPJE-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(CC#Cc2cccc(O)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPCFQPUFZZDDET-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2nnc(-c3cccc(O)c3)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLHAJMACCPFOE-UHFFFAOYSA-N", "SMILES:Cc1c(O)cccc1-c1ncc(Cn2ccc(=O)n(C)c2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPDLFIQVHNOJNY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2ncc(-c3cccc(O)c3)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTGHOCPAVEIFI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cc(-c3cccc(O)c3)no2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPMXEWPWPRKJS-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cc(-c3cccc(O)c3)on2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNDOADFAXMUEBV-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cn(-c3cccc(O)c3)nn2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWUKXYXDMWFMK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3cccc(O)c3)nc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITBFOYOQJYPWLR-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3cccc(O)c3Cl)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYSECPFAZUUDB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3cccc(O)c3F)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVHJVZVXJYIHJ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3ccc(F)c(O)c3)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJAJFEYLQCEHCJ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3ccc(Cl)c(O)c3)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCAATLRRNOCZJN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3ccc(C(F)(F)F)c(O)c3)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNUWJOLZEKXKOA-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3ccc(C#N)c(O)c3)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRQNCSIHCRLAG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3cc(O)cc(F)c3)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMINLZTFPKLIY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3cc(O)cc(C(F)(F)F)c3)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKMBABECDGELY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3cncc(O)c3)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWNMHQWIZBCEIN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3cc(O)ccc3F)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INXBNOVRZZLIIX-UHFFFAOYSA-N", "SMILES:O=c1ccn(Cc2cnc(-c3ccc(F)c(O)c3F)s2)c(=O)n1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKHBOYGWSQPCC-UHFFFAOYSA-N", "SMILES:CCn1c(=O)ccn(Cc2nnc(-c3ccc(F)c(O)c3F)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACWSXEQLWLKUFN-UHFFFAOYSA-N", "SMILES:CCn1c(=O)ccn(Cc2cnc(-c3ccc(F)c(O)c3F)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCEBPFZRMWPFAH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2nnc(-c3ccc(F)c(O)c3F)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNDYQYJNMIPZOD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3ccc(F)c(O)c3Cl)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPKHAICDSLLTF-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3cc(O)c(F)cc3F)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKGDUPBRUPYAHS-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(Cl)c(-c2ncc(Cn3ccc(=O)n(C)c3=O)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKHVAGPYCBPJZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3cc(F)cc(O)c3Cl)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTRCSNUUQLOZOS-UHFFFAOYSA-N", "SMILES:O=c1ccn(Cc2cnc(-c3ccc(F)c(O)c3F)s2)c(=O)n1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBXKHLNVGTPFC-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(C)cn(Cc2cnc(-c3ccc(F)c(O)c3F)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFNDYJNSXSIFOE-UHFFFAOYSA-N", "SMILES:CCn1c(=O)cc(C)n(Cc2nnc(-c3ccc(F)c(O)c3F)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLYZPKMJHWVWNH-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2c(n(Cc3nnc(-c4ccc(F)c(O)c4F)s3)c1=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMXRLJASTYCLE-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2ccccc2n(Cc2nnc(-c3ccc(F)c(O)c3F)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASDDBOPVIMTACQ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccn(Cc2cnc(-c3ccc(F)c(O)c3F)s2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJJVHYRDUGNFA-UHFFFAOYSA-N", "SMILES:c1ccn2c(-c3cncc(NCc4ccc(N5CCCC5)nc4)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVRRLWMWIRHFPC-UHFFFAOYSA-N", "SMILES:CC(Nc1cncc(-c2cnc3ccccn23)c1)c1ccc(N2CCCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBHRJBUGVENJD-UHFFFAOYSA-N", "SMILES:c1ccn2c(-c3cc(NCc4ccc(N5CCCC5)nc4)ncn3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKZVVLVFHFSEH-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(N2CCCC2)nc1)c1cncc(-c2cnc3ccccn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNWFKFIBIPHHLN-UHFFFAOYSA-N", "SMILES:c1ccn2c(-c3nccc(NCc4ccc(N5CCCC5)cc4)n3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVHDXWBOQYIRF-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(CNc3ccnc(-c4cnc5ccccn45)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMAISDLFBJSQFD-UHFFFAOYSA-N", "SMILES:COc1ccn2c(-c3cncc(NCc4ccc(N5CCCC5)nc4)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRGLSSVOAKPURB-UHFFFAOYSA-N", "SMILES:COCCOc1ccn2c(-c3cncc(NCc4ccc(N5CCCC5)nc4)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRKLSZWKSIWGY-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccn3c(-c4cncc(NCc5ccc(N6CCCC6)nc5)c4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKIPGJJMVHHJC-UHFFFAOYSA-N", "SMILES:COc1ccn2c(-c3cc(NCc4ccc(-c5ccccc5)cc4)ncn3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGDRSHLTWPCNHK-UHFFFAOYSA-N", "SMILES:COCCOc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)c5)cc4)ncn3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRTNPQOVYRTIBA-UHFFFAOYSA-N", "SMILES:COCCOc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)n5)cc4)ncn3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFXWSKRKHZIGJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CCC(C)(C#N)CC6)ccn45)ncn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPWCSXSDYPGMT-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)c5)cc4)ncn3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTQGAQTCQQYJF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CCCC6)ccn45)ncn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBRNFOQMVLCEAM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCO)ccn45)ncn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCRNAMULOOBKCP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CCn7nncc7C6)ccn45)ncn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEARNQJJTINWKZ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCCNC6COC6)ccn45)ncn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJCXFVLRKSIQDI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCCN6CCC(C)(F)CC6)ccn45)ncn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQVSUVLFLVTQMW-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CCC(=O)N(C)CC6)ccn45)ncn3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314917", "category": ["biolink:ChemicalEntity"], "name": "IDRX-42", "xref": ["InChIKey:LVMAULGVWBINFP-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCCN6CCCC6)ccn45)ncn3)cc2)cn1"], "synonym": ["Idrx-42", "M-4205"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCASHUUCMNXHM-UQKKQPFJSA-N", "SMILES:CC(C)[C@H]1NC(=O)/C(c2ccccc2)=C\\C=C(\\c2ccccc2)CNC(=O)CCCCCCCCCCCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUHGTRMYIBVKZ-AZQNNAAUSA-N", "SMILES:O=C1CCCCCCCCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)/C(c2cccc3ccccc23)=C\\C=C(\\c2ccccc2)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRINMKLPCVYQU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(-c3ccccc3)ncc2Cl)c(OC(C)C)cc1C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMXVFULAKANJS-UHJHLBKOSA-N", "SMILES:C/C(=C\\C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCCc2ccccc21)C(C)(C)C)c1ccc(C(F)(F)P(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFUQJQANIXWDN-WIOPSUGQSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSSVXSCLBTOIH-WIOPSUGQSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXWIYFJWZGEVJW-JYFHCDHNSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCTYVUPIOIURR-SIKLNZKXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJOYTMCBWBLEPH-GHTZIAJQSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N1CCCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHRMCNTIWNKMH-SIKLNZKXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVYZDUKKUVGSQO-NZQKXSOJSA-N", "SMILES:CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJVUDLHRUOQNE-XUZZJYLKSA-N", "SMILES:CN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGZNXSURHKQFRG-WNCULLNHSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMNVEYYZLLGXKE-WNCULLNHSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHZWEMYLRQTCHK-WNCULLNHSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSHUPKBNWQSVSK-WNCULLNHSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLZLKOYNXQHSK-RYCFQHDISA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOHMLXHBRAUWFG-ABYGYWHVSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CISYTKIPJVVEHB-JTSJOTPCSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTADYHXHDMKUES-PWUYWRBVSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKPJRLZYUBSWJX-NEKDWFFYSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPHRWYIILVURC-SVEHJYQDSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C1CC1)c1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTMSWJDSQGBONQ-IUDBTDONSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)c1ccccc1)c1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXSGEOMFUMJYFF-KYJUHHDHSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)c1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELUKAVPYPMLMP-KYJUHHDHSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)c1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZXVOQDVSBMPHP-KYJUHHDHSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)c1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSQCBKODRKBJW-CONSDPRKSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](CCc1ccccc1)NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)c1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJJHAYNANYPNEE-ABYGYWHVSA-N", "SMILES:CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYXNNYHKHWJAE-VKFQMAHUSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc2sccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOYWPVULYMHMHY-MTPLVRQTSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKAGUNLLLAEGQP-DCCNWUIXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAZNOUHNXURMZ-KUYIJJHHSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZJBBMNCQVZIPD-WZPNQEGDSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJXGQTZMSUQPQW-QOIUHGAOSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMDQPXIZTVECEI-KUYIJJHHSA-N", "SMILES:CN(CCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVHCKGBHCAIAV-WZPNQEGDSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CC(CCC#Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMQSVKKEJLRHW-DCCNWUIXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIADDVZPHMPQSI-DCCNWUIXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDHHWOBZJKFQL-DCCNWUIXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWHQSJPXKDWGPX-KUYIJJHHSA-N", "SMILES:Cc1ccc(N(CCC(=O)NCCCC#Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)c2cc3cc(C(F)(F)P(=O)(O)O)ccc3s2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WESLVONUUUMSOZ-AWRRGKHMSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUADASPIHZQGRY-WZPNQEGDSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASEXSDYUJXKPNE-VKFQMAHUSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLJPBECRSGHFSQ-NZPNZZNKSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOPYPDQOHNOVBM-QOIUHGAOSA-N", "SMILES:CN(CCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRAQSVPXZQPCOY-PXFDYUPCSA-N", "SMILES:CN(CCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc2sccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMBCMAARLUUVMK-VKFQMAHUSA-N", "SMILES:CN(CCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLOSCIBDYPNFET-PXFDYUPCSA-N", "SMILES:CN(CCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROBOYFVTYHGWDS-AOEMPMSCSA-N", "SMILES:CN(CCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375530", "category": ["biolink:ChemicalEntity"], "name": "DICHLORORIBOBENZIMIDAZOLE", "xref": ["InChIKey:XHSQDZXAVJRBMX-DDHJBXDOSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5412868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJJYTXSVJFNGP-UHFFFAOYSA-N", "SMILES:CC1CC(=O)c2c3c(n(C(C)C)c2C1=O)-c1ccccc1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFSIVVOJSEJOL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc3ccc4oc(C(=O)O)cc4c3cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCOVSYDTOHZUSS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(ccc3cc4cc5c(C(=O)O)coc5cc4cc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPCHRAXFURQEBV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(ccc3ccc4oc(C(=O)O)cc4c32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNVMWNZONLRRO-UHFFFAOYSA-N", "SMILES:OCC1OC(n2cnc3c(Br)c(Br)c(Br)c(Br)c32)CC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOGUGIFKNBDAK-UHFFFAOYSA-N", "SMILES:Cc1nc2c(Br)c(Br)c(Br)c(Br)c2n1CCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLPOFHPMNYCOH-JMIUGGIZSA-N", "SMILES:O=C1Nc2cc(CS(=O)(=O)c3c(Cl)cccc3Cl)ccc2S/C1=C\\c1ccc(O)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL519982", "category": ["biolink:ChemicalEntity"], "name": "ALTERNARIOL", "xref": ["InChIKey:CEBXXEKPIIDJHL-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5399734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVHBTLDPUYTDO-BTSWOQPFSA-N", "SMILES:O=C1CC[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1C2[C@H]1O[C@H]1C3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5435227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGHAJHJHNISEB-ONEGZZNKSA-N", "SMILES:Cc1n[nH]c(C)c1/C=C/c1cc(Br)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIPQZQATZDEKDS-VOTSOKGWSA-N", "SMILES:Cc1n[nH]c(C)c1/C=C/c1cc(Br)c(OC(=O)c2c(F)cccc2F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HADBSKHTMFUMOE-FPYGCLRLSA-N", "SMILES:Cc1n[nH]c(C)c1/C=C/c1cc(Br)c(OC(=O)c2ccc(F)cc2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXFHYCKIKCEKI-ONEGZZNKSA-N", "SMILES:Cc1n[nH]c(C)c1/C=C/c1cc(Br)c(OC(=O)c2c(F)cc(F)cc2F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSZYSBINLLFAIT-GAAFWSHSSA-N", "SMILES:NCCCC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)CCCCn2cc(nn2)C[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGHKTUWZPBGQHE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC(C)C)c23)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTOODFOXIDLNF-HSZRJFAPSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEXHLHDHYIOQN-HXUWFJFHSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)C(C)C)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMLTCRXUQOWMS-HNNXBMFYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@@H](C)CO)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHMPWXKLBQIOF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCO)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMAQEOVTPJJEPC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCCO)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTHFBMBEROJQSZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCOC)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHZOTCSPLJDJW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCC(=O)OCC)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRABKXOAHUSHZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCC(=O)O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMKNTRZINNBSM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYFMZFHBCHSNE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N(C)C)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLQKNRCQWCSJT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC(C)C)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHYHKXVWLIPKH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC4CC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COULJTAEODXAIT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQLJHVSXRHKFH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUIURFLOJOHYAI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSOCPJFEYRYKIA-KPKJPENVSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCO)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJHFSBRNMOIJV-CXUHLZMHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQOHXSMOMILDGM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N(C)C)cc3)oc3ncnc(NCCO)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXMLKDZZKQIMQH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCOCC4)cc3)oc3ncnc(NCCO)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSDNKQSDBIJRDN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)oc3ncnc(NCCO)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFDTHYHUFNYTJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N(C)CCN(C)C)cc3)oc3ncnc(NCCO)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTHTTXQTRIQSJM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCOCC4)cc3)oc3ncnc(NC4CCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZODZIMYKMHUJM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)oc3ncnc(NC4CCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQHMLIZFPOPOFO-MUUNZHRXSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYRSMYBULKXIZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)oc3ncnc(NC4CCCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAJTHJUMKTUOQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)oc3ncnc(NC)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSRXZWICNJXQI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccncc3)oc3ncnc(NC4CCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHGXAQZJQCNSGV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCOCC4)nc3)oc3ncnc(NC4CCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDDKCBHUZLWEJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)nc3)oc3ncnc(NC4CCCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXYODLNROZEOS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJYJWPCGBEXRJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUNJZTRURCYHTD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)ccc1OCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFQNGDKAKLZMC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)ccc1OC1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBAALXRHTDKGDF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGRZFZXCXPCHG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC)c23)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLNOKXTTYDULN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NCC)c23)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSSAHINXFEDSM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CC4)c23)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZBUGFGRWKJKH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NCCO)c23)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXNNWXIWNJJJNZ-WIOPSUGQSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(N[C@H]4CCC[C@H]4O)c23)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXNNWXIWNJJJNZ-DHLKQENFSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(N[C@H]4CCC[C@@H]4O)c23)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINQSXMWMZOXDU-SZPZYZBQSA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(N[C@H]4C[C@@H](O)C4)c23)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MINQSXMWMZOXDU-HZCBDIJESA-N", "SMILES:C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(N[C@H]4C[C@H](O)C4)c23)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBXCHMZVWHFXOJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCOc4ccccc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMSUPBGLUBVJZ-KLXOBSBYSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODPRNWEPDXXDJ-XYLQPTSTSA-N", "SMILES:CO[C@@H](C)c1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODPRNWEPDXXDJ-XLAHQKMWSA-N", "SMILES:CO[C@H](C)c1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUUFXSLQRWUHS-WBVXQKECSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(-c2ccc(COC(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOLYJKOOSYIUJC-BCYKAPFJSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(-c2ccc([C@@H]3CCCO3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOLYJKOOSYIUJC-QTQBYMDSSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(-c2ccc([C@H]3CCCO3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLGVCFZKKLCGO-KLXOBSBYSA-N", "SMILES:CCOc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNKIJWAKQHKEU-KXRZXGJOSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(-c2ccc(OC(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTSQNJXRBAPQAR-YYEJWEJKSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(-c2ccc(OC3CC3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQNQIIPTDDFSD-BQLGTAJYSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3cccnc3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFYLDHFINHPZIY-BQLGTAJYSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ccncc3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRDMTABVFBNKND-IKBWAYBGSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ncccn3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UETNAPXVOUGPCD-IKBWAYBGSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3cnccn3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHMHSHZZVKUQE-IKBWAYBGSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3cccs3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXJQJEPEXOOOIA-JKVPKZJASA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ccsc3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTEXWNMYPKFMBD-IKBWAYBGSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3cccc(F)n3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIXWIZXOCNNBAB-ZFJWLXRFSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ccc(F)cn3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENPNVQFKPZSBZ-ZFJWLXRFSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3cc(F)ccn3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJMHQJEVTYQHM-BWHNMYKKSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ncccc3F)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYWZCGCJUJPBGY-KXRZXGJOSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3cccc(C)n3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBBYCBRFHLCLK-KLXOBSBYSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)n1)c1ccc(-c2ccc(OC(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIABNSQAXJGBW-YYEJWEJKSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cn1)c1ccc(-c2ccc(OC(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBZDNXXXABOEU-SFUZCSOBSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(-c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMSUPBGLUBVJZ-NVGVZTHQSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@H]3C[C@@H]3c3ccccn3)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIABNSQAXJGBW-VTXLNBTNSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cn1)c1ccc(-c2ccc(OC(C)C)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRADMZDWCYHHR-KDXMTYKHSA-O", "SMILES:CCCOC(=O)c1sc(NC(=O)C[C@H](CCCNC(=O)CCCCC[N+]2=C(/C=C/C=C/C=C3/N(C)c4ccc(S(=O)(=O)O)cc4C3(C)C)C(C)(C)c3cc(S(=O)(=O)O)ccc32)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOUHBOXPCVAXDO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(C)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWAZWAYLGBPPE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2ccc(C)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYXTQLFEKLNIB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(CC)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLGIHWVEYEJFZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(OC)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLFQXKTYAVJLEC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(-c3ccccc3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVENVRUMBGVLRJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHITLDGZGGQAN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(-c3noc(CC)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCZFMADFINZBY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(-c3nnc(C)o3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMIIUPOORSGHS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(-c3nc(C)no3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXOWSHRSUEALX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(-c3nnn(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWGCEIYDFRYDL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(N(C)C(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTDJXVKIVHSYDR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCN(C)C(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPDVSNCDBFWDPE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(C(=O)NCCNC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTCLXGCGAZXTN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLDWJBXAPWRJS-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTCDTWPQJBNHRG-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1cc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJJMAZZBQODLEO-NSHDSACASA-N", "SMILES:CCOC(=O)c1sc(NC(=O)C[C@H](C)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJJMAZZBQODLEO-LLVKDONJSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)C[C@@H](C)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCDPPPMOWHTLW-UHFFFAOYSA-N", "SMILES:CCCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNGFKIIQAIVSDW-SFHVURJKSA-N", "SMILES:CCCOC(=O)c1sc(NC(=O)C[C@H](CCCN)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKOTWUYIAGZGD-LJQANCHMSA-N", "SMILES:CCCOC(=O)c1sc(NC(=O)C[C@@H](CCCNC)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPKOTWUYIAGZGD-IBGZPJMESA-N", "SMILES:CCCOC(=O)c1sc(NC(=O)C[C@H](CCCNC)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEKJSFAONIFACW-FQEVSTJZSA-N", "SMILES:CCCOC(=O)c1sc(NC(=O)C[C@H](CCCN(C)C)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQODGNBPMCALJ-WGKNZERSSA-N", "SMILES:CCCOC(=O)c1sc(NC(=O)C[C@H](CCCN(C)C(=O)O[C@@H]2CC/C=C/CCC2)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVVXCTXAHFVQD-YZOCIHGVSA-N", "SMILES:CCCOC(=O)c1sc(NC(=O)C[C@H](CCCN(C)CCOCCOCCNC(=O)O[C@@H]2CC/C=C/CCC2)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZVDORMMEQQTHN-YMKWRMSOSA-N", "SMILES:CCCOC(=O)c1sc(NC(=O)C[C@H](CCCN(C)CC#CCNC(=O)O[C@@H]2CC/C=C/CCC2)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBEZRYLVHMNTIT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2C)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFHOICCXYAWNB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXNQZEQBVBGTFF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(NC(=O)CCNC(=O)C2CCCC(C)C2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWTVVIUUCUEEA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHABFKYZXQMIB-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMIWXVFEHCLFIS-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEHZBECUENFAIN-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(-c3c(-c4ccc(Cl)c(Cl)c4)nc4sccn34)nn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRRVLWDPDPXMRT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJWXEOGHUZRKMA-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc3ccccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVNDXMCSDPZNNX-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2nc3ccccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJADVWAJLZHADV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2nc3ccccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJCNRVKEGNLFA-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDLRNUUFFXRBW-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(-c3c(-c4ccc(Cl)c(Cl)c4)nc4ccccn34)nn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTJLJBOZHHXLMT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccn3c2-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCNBSODTUMOWHP-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4sccn34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGFZUYEMLMZQG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4sccn34)nn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVWOTHBZHSLMSD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4sccn34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDPWVTMBAPJHKT-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHVCKVAUCNHZJJ-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccccn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXZJFDWEQJFAB-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGLAAVLUTRMHRT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAYAXKPFCNKBLA-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNBIEVJASHXAQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2cn(Cc3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULPWMVWYMWAIAZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2cn(Cc3ccccn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLNWAWLTIDFLRP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOCJLDLIABMNMI-UHFFFAOYSA-N", "SMILES:CSc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULZNKYLQVYWRL-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)n1cc(-c2c(-c3ccc(Cl)cc3)nc3ccccn23)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCHKDHHPUMGCTM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOIMMDMDGJHMP-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3sccn3c2-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DALMPAIVTSRLSJ-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQRBZSNLLOZEQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2nnc(Cc3ccc(Cl)c(Cl)c3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOBSSJVZOEIIQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2nnc(Cc3ccc(Cl)c(Cl)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYIFBBFMFXDEE-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3sccn3c2-c2csc(Cc3ccc(Cl)c(Cl)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDUOPLWXKIPDOP-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2csc(Cc3ccc(Cl)c(Cl)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHZMRWHKNBIATG-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2cc(Cc3ccc(Cl)c(Cl)c3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTDIKUYYVZZQMP-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2cccn2Cc2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUXGCCKTPDGHMG-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUABYVDWRQXNY-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc3ccccn3c2-c2cn(CCc3ccc(Cl)c(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUQKCGGERCNVIP-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAVRLKAEBBYHRT-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLSPOBHUBCFFI-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEZDAUPMCRMAB-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIQXNDUTTNMXTB-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIRMFPLYXXWTTJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHDBSSNGWNOZBO-UHFFFAOYSA-N", "SMILES:CCC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDVTNMUHLPAEU-UHFFFAOYSA-N", "SMILES:O=Cc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VODXZJPMBCMFBW-RPPGKUMJSA-N", "SMILES:O/N=C/c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDNIWXYSWHRSDZ-UHFFFAOYSA-N", "SMILES:OCc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAPHSHOCGMQMCA-UHFFFAOYSA-N", "SMILES:COCc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAAQMANTUMMVGF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXPBKINYWZBWTC-UHFFFAOYSA-N", "SMILES:Nc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJJMLEKDCBPLLA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCFEZXIBQLREG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4sccn34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFLLSQBHUQZDD-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVTWWIFWSQVTJG-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2c(C)c2=[N+](CC)CC)cc1.F[B-](F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRXTESRYNBUJY-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2c(C)c2=S)cc1"]}
{"name": "Double-stranded RNA-specific adenosine deaminase", "xref": ["CHEMBL.TARGET:CHEMBL5465291"], "id": "UniProtKB:P55265", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJXOPGLSLPNZSD-UHFFFAOYSA-N", "SMILES:C#CCCC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Oc4cccc(NC(=O)CCCCc5cc5=O)c4)n3)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTECUHNTBYQQRI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCCCc3cc3=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJWUYQGXIAACD-UHFFFAOYSA-N", "SMILES:C#CCOCCc1c(C)c1=[N+](CC)CC.F[B-](F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QROHMVUFPPQUNN-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTBXVNGTPBXIHS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3cn4ccccc4n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVBFFCILTLRRKO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3CN(C)C)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFQFPYMVUPGCA-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1c(-c2ccc(NC(=O)CN3CCc4cc(OC)c(OC)cc4C3)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPNGAMJSTMRAPL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3CN3CCCC3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSTNIFCLOYNNHM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3CN3CCCCC3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJZSNPZBPPDHL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3CN3CCOCC3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJJYTPWYPRLJI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3CN3CCC(=O)CC3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOHDLKMTWROZMI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3CN3CCN(c4ccccc4)CC3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCDPYLIPGJERI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUNQUAPFWRSYIQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3CN3CCc4cc(OC)c(OC)cc4C3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFFYYDCSIXUCK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3CNCc3ccccc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZCGTDCOPVAHL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3CO)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEQTKPNSJJOPD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3COCc3ccccc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PERWZMPVIZUNGZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3COCc3ccc(Cl)cc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHAYCTPXSLOCLF-UHFFFAOYSA-N", "SMILES:COc1ccc(COCc2c(-c3ccc(NC(=O)CN4CCc5cc(OC)c(OC)cc5C4)cc3)nc3ccccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFCWIYUXPCKZQX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(-c3nc4ccccn4c3COCc3ccccc3Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UITLPDJUHJNDFB-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKPMLPILGSVMZ-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHOAVWXBMKWTEG-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACLPRUHWRTVIE-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)Nc2ccc(-c3nc4ccccn4c3CN3CCN(c4ccccc4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHAUBPAHCINBHQ-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JREJPRZHWNYXFT-UHFFFAOYSA-N", "SMILES:O=C(Cn1cnnc1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCRVAUDCXQBCCP-UHFFFAOYSA-N", "SMILES:C=CCN(CC=C)CC(=O)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZILPTCQWPANGS-UHFFFAOYSA-N", "SMILES:O=C(CNCc1ccccc1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JENYQRHUDXKXCU-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLBIJRKLXGCLRE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCC(=O)Nc1ccc(-c3nc4ccccn4c3CN3CCN(c4ccccc4)CC3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQAAHQEQXOGOL-UHFFFAOYSA-N", "SMILES:O=C(CCn1cnnc1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYISCEXDQRPEDM-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJNHLMABLUWZCH-UHFFFAOYSA-N", "SMILES:O=C1CCN1c1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUKETXCWNHTRV-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLECDYLLFIKVSV-XMHGGMMESA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOSFEGWNOZRBSK-WOJGMQOQSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGVSDIZBJLMCRF-XMHGGMMESA-N", "SMILES:Cc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccn4c3CN3CCN(c4ccccc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXPMLEIYNDWMHP-WOJGMQOQSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBXUEMLYCSVKK-SFQUDFHCSA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2ccc(-c3nc4ccccn4c3CN3CCN(c4ccccc4)CC3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULXJPSPEROUPY-XDHOZWIPSA-N", "SMILES:COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccn4c3CN3CCN(c4ccccc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOJJSMIQKWVFSN-WOJGMQOQSA-N", "SMILES:O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZCHJMROYRKCN-QGOAFFKASA-N", "SMILES:Cc1cccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccn4c3CN3CCN(c4ccccc4)CC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIMPJAFWIKERW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)CN(C)C)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCTZPJQGBBUDE-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)Nc1ccc(-c2nc3ccccn3c2CN2CCc3cc(OC)c(OC)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUIASFLMHHDIT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)CN4CCOCC4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNHARCCWTKFZHO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)CN4CCN(C)CC4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPSEYFXHFAXDO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)CN4CCN(c5ccccc5)CC4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGSQOAFCSCBTD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)CN4CCN(c5ccc(OC(F)(F)F)cc5)CC4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNZJETBCPPPIIL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)Cn4cnnc4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QISNWQBZNBVJPF-UHFFFAOYSA-N", "SMILES:C=CCN(CC=C)CC(=O)Nc1ccc(-c2nc3ccccn3c2CN2CCc3cc(OC)c(OC)cc3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOPMRZHPLMLCNC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)COc4ccccc4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFZMMUILPKSEY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDEJAESCNLHREG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDISPCTYIFHGI-UHFFFAOYSA-N", "SMILES:COc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccn4c3CN3CCc4cc(OC)c(OC)cc4C3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXOJJPONBRUWMG-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccn4c3CN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUHROEXQVYMSAF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)COc4ccc(OC(F)(F)F)cc4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRVRWXRWJAVPIL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHRLYNVEYBZEFN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)COc4ccccc4Br)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMRNLMRIYAVMPB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)COc4cccc([N+](=O)[O-])c4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXZICJWCMRJSHG-UHFFFAOYSA-N", "SMILES:C=CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccn4c3CN3CCc4cc(OC)c(OC)cc4C3)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJQUVTPEOXDDDS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)COc4cccc5cccnc45)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBGWCBFFQCKGLE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)CCN4CCN(c5ccccc5)CC4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXACUQBEZDUPG-NTEUORMPSA-N", "SMILES:COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)cc3)nc3ccccn13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1928403", "category": ["biolink:ChemicalEntity"], "name": "MARINACARBOLINE D", "xref": ["InChIKey:PCOBOAPRWGQQGA-UHFFFAOYSA-N", "SMILES:CC(=O)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cc2c1[nH]c1ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5428595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLTUADKENVDGK-UHFFFAOYSA-N", "SMILES:CC(=O)c1nc(C(=O)NCc2ccc(N)cc2)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQFTCOPELTVGD-UHFFFAOYSA-N", "SMILES:CC(=O)c1nc(C(=O)NCc2ccc(O)cc2)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQCHCZCCMHYFR-UHFFFAOYSA-N", "SMILES:CC(=O)c1nc(C(=O)OCCc2c[nH]c3ccccc23)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJNPEHRISIVWFX-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccc(O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOFNWDJTXTZPF-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLCUCZHEZLGNZ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1cc2c([nH]c3ccccc32)c(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJSRIUILQJFQX-HKGQQODZSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCn1cc(COc2ccc3[nH]c4c(C(=O)c5ccc(Br)cc5)nc(C(=O)NCCc5c[nH]c6ccccc56)cc4c3c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOAHEQOJOPUMEH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1nc(COc2ccc(-c3ccccc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZFSCQWDSRTDCJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1nc(COc2ccc(-c3ccc(Cl)cc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNXQCGZNXPPTAZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1noc(COc2ccc(-c3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRJAUFHDIXDOP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1noc(COc2ccc(-c3ccc(Cl)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZDHEGYOHLHCI-UHFFFAOYSA-N", "SMILES:O=C(Cc1noc(COc2ccc(-c3ccc(Cl)cc3)cc2)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONJOCSUEOBGAW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1noc(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVNBLVHTAQJSCX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1nnc(-c2ccc(-c3ccc(Cl)cc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLYCYUGPUABXSQ-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2nnc(C(=O)NO)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAJZVYNCAXOEBI-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2cc(C(=O)NO)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGUTLNYQHVLIR-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2cc(C(=O)NO)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYLAQBBYPHJBFK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(-c2ccc(OCc3ccccc3)cc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISBMBCSSERAGFH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1nc(-c2ccc(COc3ccccc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABXYGQJUDKEEGM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1nc(-c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIZYHOTUEUUCJL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1nc(-c2ccc(COc3ccc(Cl)cc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJKURMJPJPDIV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1nc(-c2ccc(COc3cccc(Cl)c3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYAPAXZETRKZHT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1nc(-c2ccc(COc3ccc(Br)cc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJJNEFGQARSUII-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nnc(C(=O)NO)o2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSDUGIAXSTWYKK-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2nnc(C(=O)NO)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGPVHDNLCGXONJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nnc(C(=O)NO)o2)ccc1OCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKKLCIHTCPISDO-UHFFFAOYSA-N", "SMILES:Cc1cccc2c3c(ccc12)-c1oc2c(c1C(=O)C3=O)CCN(CCCN1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYKCXXLWUWUFQ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c3c(ccc12)-c1oc2c(c1C(=O)C3=O)CCN(CCO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZYGWVLDEVWNOE-HNNXBMFYSA-N", "SMILES:Cc1cccc2c3c(ccc12)-c1oc2c(c1C(=O)C3=O)CCN([C@H](CO)CCCO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL349384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRSBQSJHFYZIPH-DMTCNVIQSA-N", "SMILES:O=C(O)[C@H]1CN[C@H](C(=O)O)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1231330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLQUHNPNCGKJQ-LWMBPPNESA-N", "SMILES:N[C@H](C(=O)O)[C@H](O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL79140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYOBCYXURWDEDS-IUCAKERBSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1598042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSMHEGGTFMBBZ-ZKWXMUAHSA-N", "SMILES:C=C(C)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5430848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQPDCKOQOOQUSC-ZKWXMUAHSA-N", "SMILES:CC(C)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XADHWMPKONEAES-HOTGVXAUSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(CO[C@H](C(=O)O)[C@H](N)C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JENKZNPGAZCACK-RYUDHWBXSA-N", "SMILES:CCC(=O)Nc1cccc(CO[C@H](C(=O)O)[C@H](N)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICULZIDWQCFAIS-SFTDATJTSA-N", "SMILES:N[C@H](C(=O)O)[C@H](OCc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETJIAAJBCULKI-DPPUOXHASA-N", "SMILES:N[C@]1(C(=O)O)[C@H]2C[C@H]3[C@@H]1[C@@]3(C(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDHZPTRSHBUQHT-UHFFFAOYSA-N", "SMILES:CCc1c(C)[nH]c2c1C(=O)CC(CN1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDFCSSHDJSZMTQ-ZDUSSCGKSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5428066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVQDSUTBSMEPO-RBLKWDMZSA-N", "SMILES:CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@@H](O)[C@@H](O)[C@H]2O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL320650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJRGGNLFHHJLMK-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(CCN(C)C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33720", "category": ["biolink:ChemicalEntity"], "name": "OXEDRINE", "xref": ["InChIKey:YRCWQPVGYLYSOX-UHFFFAOYSA-N", "SMILES:CNCC(O)c1ccc(O)cc1"], "synonym": ["Oxedrine", "Synephrine", "Advantra z", "Analeptin", "Dl-synephrine", "Ethaphene", "P-synephrine", "Parasympatol", "Simpalon", "Synephrin", "Synephrine", "Synthenate", "NSC-166285", "NSC-170956", "S-38537-9"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5417603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCEOESOKIYPYPF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTXELSUUNWYQV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPRXXSKXQZTHT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOVMAHAEXKUEPO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANAADWJGPOHGU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWHCSBWFLFZDQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc3ccccc3c2C(=O)NCc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRSWJDWKYXYQV-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc3ccccc3c2C(=O)NCc2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLXNRQYLAVQFEJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTVURPFTFHFGE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMRVYZHCTVCCRO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(OC(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJPWCIQKRXINTC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2nn(Cc3ccccc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUCAFFQMAMJFA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2nn(Cc3ccc(F)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMOHFNMPEPZUKW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2nn(Cc3cccc(F)c3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNGUGFLSOZMPOG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRPJZQHMFMCYHU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2nn(Cc3cccc(Cl)c3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJWUTADLXMSNB-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc(C(=O)NCc3ccc(C(=O)O)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTIUNJGPQJGZNU-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(C(=O)NCc3ccc(C(=O)O)cc3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJJJYZMQBHADB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZLXRDQFIGQJM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2nn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBFUMYXWREXAE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2nn(Cc3ccc(OC(F)(F)F)cc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJUFXAZHOSZOAQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2c3ccccc3nn2Cc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRAQPLLNRWXBPK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(NC(=O)c2c3ccccc3nn2Cc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFENQKJVXWXHTA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CCNC(=O)c2c3ccccc3nn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDOMTCBYBIKNU-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c2ccccc2nn1Cc1ccc(F)cc1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOPFLXEXMLZPW-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c2ccccc2nn1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFPRAGLVCAZTKL-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c2ccccc2nn1Cc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQWZOFDNUWUBQG-INIZCTEOSA-N", "SMILES:COc1cccc(Cn2nc3ccccc3c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JICGZAMZLRFGBS-INIZCTEOSA-N", "SMILES:COc1ccc(Cn2nc3ccccc3c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYMKYDSXIAUAO-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c2ccccc2nn1Cc1ccc(OC(F)(F)F)cc1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RESDRLULZBAUDP-HNNXBMFYSA-N", "SMILES:C[C@H](NC(=O)c1c2ccccc2nn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNDYTNIHZYGGRQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(C2(NC(=O)c3c4ccccc4nn3Cc3ccc(C(F)(F)F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RESDRLULZBAUDP-OAHLLOKOSA-N", "SMILES:C[C@@H](NC(=O)c1c2ccccc2nn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFRCATPAQDPPOZ-UHFFFAOYSA-N", "SMILES:O=C(NC1CC2(C1)CC(C(=O)O)C2)c1c2ccccc2nn1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEGXECYEWUQBT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2CC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSBPLICMYOKMD-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2nc3ccccc3c2C(=O)NCc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMORXBLPDSHIEB-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Cn2nc3ccccc3c2C(=O)NCc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AARVSVOIOZQEPD-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRHAYDNOJRDRP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(Cl)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWAWOPDRSFYZLW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc3ccccc3c2C(=O)NCc2ccc(C(=O)O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAOWXUDHYMECQF-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(C(F)(F)F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFANROBQNPHFKT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2nc3ccccc3c2C(=O)NCc2ccc(C(=O)O)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQIPSMYCRFMCW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOINBCBGQVXLBQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2Cc2ccc(C(F)(F)F)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPDFVVTWDUHDV-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(Cn2nc3ccccc3c2C(=O)NCc2ccc(C(=O)O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UERKPTCJWFZOLJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2CCOc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUOFEOSITPFWQE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2CCOc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECZKLJOTXTMQB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccccc3nn2CCOc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIKXAVHBDXAKGN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccc(F)cc3nn2Cc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYZPJCSOVMQTJK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CNC(=O)c2c3ccc(Cl)cc3nn2Cc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXYQKBRHWUKXGM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C(=O)NCc3ccc(C(=O)O)cc3)n(Cc3ccc(C(F)(F)F)cc3)nc2c1"]}
{"name": "Prostaglandin E2 receptor EP4 subtype", "xref": ["CHEMBL.TARGET:CHEMBL4086"], "id": "UniProtKB:P43114", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMTDALVWNNHLPT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(NC(=O)c2c3ccccc3nn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAABIXDGIVBKKE-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)NC1CCC(C(=O)Nc2nc3cc(F)c(Oc4ccc(F)c(NC(=O)Cc5cccc(C(F)(F)F)c5)c4)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNIRDGSTKNUDF-UHFFFAOYSA-N", "SMILES:CCCCC(=O)NC1CCC(C(=O)Nc2nc3cc(F)c(Oc4ccc(F)c(NC(=O)Cc5cccc(C(F)(F)F)c5)c4)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMNLGVPOKUTNB-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(Oc2cc3sc(NC(=O)C4CCC(NC(=O)CCCl)CC4)nc3cc2F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZZQWXLYDALTR-UHFFFAOYSA-N", "SMILES:COCC(=O)NC1CCC(C(=O)Nc2nc3cc(F)c(Oc4ccc(F)c(NC(=O)Cc5cccc(C(F)(F)F)c5)c4)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFILTIZQOUTBFV-UHFFFAOYSA-N", "SMILES:CCOCC(=O)NC1CCC(C(=O)Nc2nc3cc(F)c(Oc4ccc(F)c(NC(=O)Cc5cccc(C(F)(F)F)c5)c4)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXGIWRZAYDYOHD-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(Oc2cc3sc(NC(=O)C4CCC(NC(=O)c5cccs5)CC4)nc3cc2F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNCSJDDZYVYRGS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NC1CCC(C(=O)Nc2nc3cc(F)c(Oc4ccc(F)c(NC(=O)Cc5cccc(C(F)(F)F)c5)c4)cc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYWKQDHRHCEMHV-BKXMQGTDSA-N", "SMILES:CC(=O)[C@@H]1CSCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXQLBECTYSLDGB-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(-c2ccc(-c3cncc4ccccc34)cc2)cn1)N1CCN(CCCC23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUNBZFGWVNTEIR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3c(Cl)cccc3Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347695", "category": ["biolink:ChemicalEntity"], "name": "IMILOXAN", "xref": ["InChIKey:UXABARREKCJULM-UHFFFAOYSA-N", "SMILES:CCn1ccnc1CC1COc2ccccc2O1"], "synonym": ["Imiloxan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL362051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNKXGOEOQCXDM-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1714607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXILHAFMHMNELA-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cnc2cc(NC(C)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKTXNAPETZHJFU-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cnc2cc(NC(=O)CCc3ccccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAUQYORXKOLDMA-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cnc2cc(NC(=O)CCc3cccnc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBZSZFYMDYSFN-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cnc2cc(NC(=O)CCc3ccncc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPTJMDOOIPBDJJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1cnc2cc(NC(=O)CN(C)C)ccc21.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJGCYSODLFZLPC-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CC(=O)Nc2ccc3c(c2)ncn3-c2ccccc2OC)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDFSRKGFUZFCMO-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CC(=O)Nc2ccc3c(c2)ncn3-c2ccnn2C)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOKOEZICOVUTCD-UHFFFAOYSA-N", "SMILES:CCn1nccc1-n1cnc2cc(NC(=O)C[n+]3ccc(NC)cc3)ccc21.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZTROMYZTJCECO-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CC(=O)Nc2ccc3c(c2)ncn3-c2c(C)nsc2C)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLZIGWDUXWCPKN-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CC(=O)Nc2ccc3c(c2)ncn3-c2c(C)noc2C)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFCLTCYNAXVAM-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CC(=O)Nc2cnc3c(c2)ncn3-c2ccccc2OC)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGHWAXXOJQDGV-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CC(=O)Nc2cc3cnn(-c4ccccc4OC)c3cn2)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRBXILKSOWZGM-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CC(=O)Nc2ccc3c(cnn3-c3ccccc3OC)n2)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNFPFDTSIXTOE-HVHKRRFMSA-N", "SMILES:CNc1cc[n+](C/C(F)=C/c2ccc3c(c2)ncn3-c2c(C)noc2C)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGIKNWNSWLAKQ-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CC(Nc2ccc3c(c2)ncn3-c2c(C)noc2C)C(F)(F)F)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPKOUUXVVNXBF-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CCNC(=O)c2ccc3c(c2)ncn3-c2c(C)noc2C)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVLGXULBVAFRZ-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CCNC(=O)c2ccn3c(-c4c(C)noc4C)cnc3c2)cc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYPWGMIDNFILTH-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CCNC(=O)c2ccc3c(c2)nnn3-c2c(C)noc2C)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVYKCWIKTFTOIF-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CCNC(=O)c2ccn3c(-c4c(C)noc4C)cnc3c2)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFLQFESVUBEYQG-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cnc2cc(C(=O)NCC[n+]3ccc(N)cc3)ccn12.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHGMFANFHORPME-UHFFFAOYSA-N", "SMILES:CCNc1cc[n+](CCNC(=O)c2ccn3c(-c4c(C)noc4C)cnc3c2)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJDRPBYJRHTTKU-UHFFFAOYSA-N", "SMILES:CCc1cc[n+](CCNC(=O)c2ccn3c(-c4c(C)noc4C)cnc3c2)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFPOHAWUWNJYJM-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1cnc2cc(C(=O)NCC[n+]3ccc(N(C)C)cc3)ccn12.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOQWIYBTKIMMT-UHFFFAOYSA-N", "SMILES:CNc1ccc[n+](CCNC(=O)c2ccn3c(-c4c(C)noc4C)cnc3c2)c1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKGZVWHOZVNJG-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CCNC(=O)c2ccn3c(-c4c(C)noc4C)cnc3c2)c(C)c1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDUPWZYKIEVIK-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CCCNC(=O)c2ccn3c(-c4c(C)noc4C)cnc3c2)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYZUVHYIRCBTCU-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CCNC(=O)c2ccn3c(-c4c(C)cnn4C)cnc3c2)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWKSRXKZVVYWQZ-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CCNC(=O)c2ccn3c(-c4cc(C)nn4C)cnc3c2)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTCGPXXBOVCCH-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CCNC(=O)c2ccn3c(-c4ccccc4OC)cnc3c2)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTTXGLYPSIWOQ-UHFFFAOYSA-N", "SMILES:CNc1cc[n+](CCNC(=O)c2ccn3c(-c4cccnc4OC)cnc3c2)cc1.O=C[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBSRKLHDVVEBBH-UHFFFAOYSA-N", "SMILES:Nc1ccc(CNc2ccncc2)c(F)c1"]}
{"name": "Alpha-2B adrenergic receptor", "xref": ["CHEMBL.TARGET:CHEMBL5465182"], "id": "UniProtKB:Q2MDQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRTXLGDSNNESNV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2cnn(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYONFPDOAKGUJT-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDNTDXEEMYBNR-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPZKWQDCVCBBC-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)nc1C(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRYKLRJVRBXJSZ-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccccc2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWXPMSACJNNGDK-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccccc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANFIDZQPFQQAK-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2cccnc2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNVDDSYVPTVEAJ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3cccnc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVXBDQGJJPPLZ-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZWKLYQKKXPMFL-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2cccc(F)c2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXVUKBGRTQGQFC-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccccc2F)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZQVBMFLMCWRKC-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccc(Cl)cc2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBVOKTHKAHOXAF-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2cccc(Cl)c2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPPMCZXWLSVIKG-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccccc2Cl)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTZFGINQJZVBCI-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccc(Br)cc2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAMGUXIHYDQDFX-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)NO)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJEREIYRYVFVOT-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)NO)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZSQHRFHYUXBA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)NO)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTMNRDXWOFPHCH-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccc(C(F)(F)F)cc2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCWEUZKQOCJNU-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)NO)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUOCLZTUKOZHKJ-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)NO)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBWXEJVKFOMOMO-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)NO)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTSKFMPYBFXQOR-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)NO)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRGKWILEXQHMD-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLEWAEJZACTUQH-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2cccc(Cl)c2Cl)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUSOIAYYLOJFN-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2cc(Cl)cc(Cl)c2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRLCYVBJNAPPOT-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2cccc3ccccc23)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCKCKDNCRASFDK-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccc3ccccc3c2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVWNDNVGKVFGG-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2cccc3cccnc23)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBAJXTVUCJMMRE-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccc3ncccc3c2)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPDZEXXXPPOPC-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2ccc3c(c2)OCO3)nc1C(=O)NCc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUJQAHBCFDCWLI-ZHACJKMWSA-N", "SMILES:Nc1nn(-c2ccccc2)nc1C(=O)NCc1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMNTICKJDQRTK-OAHLLOKOSA-N", "SMILES:CC[C@@H](NC(=O)c1nn(-c2ccccc2)nc1N)c1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMNTICKJDQRTK-HNNXBMFYSA-N", "SMILES:CC[C@H](NC(=O)c1nn(-c2ccccc2)nc1N)c1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKQYCIKKDHHAH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQTACPFYCJMRBO-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3cccc(F)c3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVSURLNAOVBECG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccccc3F)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFINFUFQYCHWAJ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGCXXGHHKHZDPG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3cccc(Cl)c3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPVZRJLWWCCMKG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccccc3Cl)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPLIEMAEOVAVDT-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(Br)cc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMYSSHSAAFQOM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYDMCDGZQXWLJX-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRDNKTWMOLICE-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQXCKOFMBRVKG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(C(F)(F)F)cc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBCMLYWXLCNRMV-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZRBBUWLDBIHNB-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCENVWOPYPGNEC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOBEFRNENEUFT-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-n2nc(N)c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDEAQXMRSITEHB-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPQFOWWRYZSFI-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3cccc(Cl)c3Cl)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLZPGOWBOVKFJ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3cc(Cl)cc(Cl)c3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJCKUPDEWJIVCF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3cccc4ccccc34)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKIUJBYZKBKRCY-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc4ccccc4c3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFBDGAQBNICAOH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3cccc4cccnc34)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPQRQODNQWBFF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc4ncccc4c3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMXDGRDDZMPLGQ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc4c(c3)OCO4)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COAWJUWYLXBVQV-CCEZHUSRSA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1ccc(CNC(=O)c2nn(-c3ccccc3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTFRRNJGOVWLPJ-HXUWFJFHSA-N", "SMILES:CC[C@@H](NC(=O)c1nn(-c2ccccc2)nc1N)c1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTFRRNJGOVWLPJ-FQEVSTJZSA-N", "SMILES:CC[C@H](NC(=O)c1nn(-c2ccccc2)nc1N)c1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZONSTWGHXIOF-MQNRADLISA-N", "SMILES:CC(=O)c1ccc(F)c(-c2ccc(C[C@@H](C(=O)N[C@@H](C)C(=O)O)N3Cc4cc(Br)ccc4C3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDZUCVGTYFSORK-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(O)cc1O)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCGDYFKGQSKASH-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)CCc2ccc(O)cc2O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORQYKTXFQRTGG-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cnn(-c3ccc(-c4cn[nH]c4)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLGYDMBDBKVTP-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)c(OC)c3)CC23CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWQJPOZGRDNEI-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCN(c3ccc4c(c3)CCc3n[nH]cc3-4)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFORXXUUJJTHP-XWXLMPLOSA-N", "SMILES:Cc1c(C(=O)N[C@H]2CC3(C2)C[C@H](c2n[nH]c(=O)c4ccccc42)C3)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOXUADDMAYECR-ITOOQTKOSA-N", "SMILES:NC(=O)c1ccccc1O[C@H]1CC2(C1)C[C@H](N1C(=O)NC(c3ccccc3Cl)C1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUYWCWFEKSXRH-OAHLLOKOSA-N", "SMILES:NC[C@@H](C(=O)Nc1ccc2cnsc2c1)c1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDBRFJICUJWEB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C)cc(C)n2)sc1C(=O)NCC(O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXFYQOYXIBPAU-UHFFFAOYSA-N", "SMILES:NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(B(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUMSCUXIQBVANH-UHFFFAOYSA-N", "SMILES:c1cc(Oc2ccc3c(c2)CNCC3)c2c(-c3ccncc3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3972882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEZSSKBBLQBTMF-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)CN(c1ncnc3[nH]cc(-c4cccc(C#N)c4)c13)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRKSAWCBMXCBN-UHFFFAOYSA-N", "SMILES:CN1CCC2(CC1)CN(c1ncnc3[nH]c(Cl)c(-c4cccc(C#N)c4)c13)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKDKQDMKPCNZBL-FQEVSTJZSA-N", "SMILES:N#Cc1cccc(-c2c(Cl)[nH]c3ncnc(N4CCO[C@]5(CCNC5)C4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRGXLZSKZPLLON-ZDUSSCGKSA-N", "SMILES:NC[C@H]1CN(c2ncnc3[nH]c(Cl)c(-c4cccc(CO)c4)c23)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQCCQWBVUGOVBA-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2c(Cl)[nH]c3ncnc(N4CCCC5(CNC5)C4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USCZVGYOJSCMBR-CQSZACIVSA-N", "SMILES:N#Cc1cccc(-c2c(Cl)[nH]c3ncnc(N4CCCC[C@@H](N)C4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIAMVCTFTXWML-LBPRGKRZSA-N", "SMILES:N#Cc1cccc(-c2c(Cl)[nH]c3ncnc(N4CC[C@H](N)C4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGJTJNMUPPEMH-CYBMUJFWSA-N", "SMILES:N#Cc1cccc(-c2c(Cl)[nH]c3ncnc(N4CCC[C@@H](N)C4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHHHYMKNXQPDG-CQSZACIVSA-N", "SMILES:N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@@H](N)C4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4112240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQLDDHACGXLAE-CQSZACIVSA-N", "SMILES:N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@@H](O)C4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSBZFPBEYMSVPJ-SMDDNHRTSA-N", "SMILES:C[C@H]1C[C@@H](N)CN(c2ncnc3[nH]c(Cl)c(-c4cccc(C#N)c4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUSZGZSHIMXCHY-QWHCGFSZSA-N", "SMILES:N#Cc1cccc(-c2c(Cl)[nH]c3ncnc(N4C[C@H](N)C[C@H](C(F)(F)F)C4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOYRDZMEZHFJDU-WCQYABFASA-N", "SMILES:C[C@H]1C[C@@H](N)CN(c2ncnc3[nH]c(Cl)c(-c4ccccc4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLFOJOOBSNVFP-GXSJLCMTSA-N", "SMILES:C[C@H]1C[C@@H](N)CN(c2ncnc3[nH]c(Cl)c(-c4cnn(C)c4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURPXFLMWSMKCY-SMDDNHRTSA-N", "SMILES:C[C@H]1C[C@@H](N)CN(c2ncnc3[nH]c(Cl)c(-c4cccc(CO)c4)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAOVTLWLVWUCIR-SMDDNHRTSA-N", "SMILES:Cc1c(C#N)cccc1-c1c(Cl)[nH]c2ncnc(N3C[C@@H](C)C[C@@H](N)C3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRBVUOIUPMIQTN-CMPLNLGQSA-N", "SMILES:C[C@H]1C[C@@H](N)CN(c2ncnc3[nH]c(Cl)c(-c4cccc(C#N)c4Cl)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWRSWJVUXTDII-CMPLNLGQSA-N", "SMILES:C[C@H]1C[C@@H](N)CN(c2ncnc3[nH]c(Cl)c(-c4cccc(C#N)c4F)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFMUUASEIUTAN-SMDDNHRTSA-N", "SMILES:C[C@H]1CC[C@@H](N)CN1c1ncnc2[nH]c(Cl)c(-c3cccc(C#N)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFEVOBQWEKTOLR-HUUCEWRRSA-N", "SMILES:N#Cc1cccc(-c2c(Cl)[nH]c3ncnc(N4CCC[C@H]5NCC[C@H]54)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVUMYEWTXUMGPF-SQGBCOJXSA-N", "SMILES:CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPVRBXKNBGDES-GTXVXJEKSA-N", "SMILES:CN1/C(=C\\C=C\\C=C\\C2=[N+](CCCCCC(=O)N[C@H]3CC[C@H](/N=C(/NC4CCCCC4)SCC4=CSC5=NC(C)(C)CN45)CC3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWMRKMXKQLWSX-JPZONMIZSA-N", "SMILES:CN(Cc1ncc2ccccc2c1CCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWZTRXJJFFMGW-KDXMTYKHSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKFKUBORFQJEIB-CMHQEJPGSA-N", "SMILES:O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGJMLKYDYHMDDP-AFYVEPGGSA-N", "SMILES:C[C@@H]1CC[C@@H]([C@@](C)(O)CNCCCCc2ccccc2)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGJMLKYDYHMDDP-VBSBHUPXSA-N", "SMILES:C[C@@H]1CC[C@@H]([C@](C)(O)CNCCCCc2ccccc2)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGJMLKYDYHMDDP-LMCOJAPRSA-N", "SMILES:C[C@@H]1CC[C@@H]([C@@](C)(O)CNCCCCc2ccccc2)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGJMLKYDYHMDDP-RSPOEFSDSA-N", "SMILES:C[C@@H]1CC[C@@H]([C@](C)(O)CNCCCCc2ccccc2)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPJVVCEMRSGLC-CIQXWFTPSA-N", "SMILES:C[C@@H]1CC[C@@H]([C@@](C)(O)CN2CCC(Cc3ccccc3)CC2)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPJVVCEMRSGLC-BRKWEVRTSA-N", "SMILES:C[C@@H]1CC[C@@H]([C@](C)(O)CN2CCC(Cc3ccccc3)CC2)[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPJVVCEMRSGLC-GFRNBQLOSA-N", "SMILES:C[C@@H]1CC[C@@H]([C@@](C)(O)CN2CCC(Cc3ccccc3)CC2)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPJVVCEMRSGLC-HLRQEUIKSA-N", "SMILES:C[C@@H]1CC[C@@H]([C@](C)(O)CN2CCC(Cc3ccccc3)CC2)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPMRZWPGKIGKPS-LUGPXAIHSA-N", "SMILES:COc1ccc(CC2CCN(C[C@](C)(O)[C@@H]3CC[C@@H](C)C[C@H]3O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUJQNGLZGJMOR-WLRLJWMZSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@@H](C1)OCO[C@@]2(C)CNCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUJQNGLZGJMOR-CWJKEVGVSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@@H](C1)OCO[C@]2(C)CNCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUJQNGLZGJMOR-PBASOCQRSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@H](C1)OCO[C@@]2(C)CNCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUJQNGLZGJMOR-AYWYSENESA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@H](C1)OCO[C@]2(C)CNCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSOWHKANVNNDG-HWHRFOGPSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@@H](C1)OCO[C@@]2(C)CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSOWHKANVNNDG-RLLPEYFOSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@@H](C1)OCO[C@]2(C)CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSOWHKANVNNDG-QQUTXWOLSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@H](C1)OCO[C@@]2(C)CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSOWHKANVNNDG-TWHAJKEOSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@H](C1)OCO[C@]2(C)CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEGYYLQTELLVBC-VRAWNYFSSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@@H](C1)OC(C)(C)O[C@@]2(C)CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEGYYLQTELLVBC-UTADQONYSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@@H](C1)OC(C)(C)O[C@]2(C)CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHKUVLIFMBFOS-FYKMYLNBSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1CN(CCCCc3ccccc3)C[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHKUVLIFMBFOS-OHLDOZIISA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]1CN(CCCCc3ccccc3)C[C@@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHKUVLIFMBFOS-VOFPXKNKSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@H](C1)O[C@H]1CN(CCCCc3ccccc3)C[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHKUVLIFMBFOS-MBMVPVEPSA-N", "SMILES:C[C@@H]1CC[C@@H]2[C@H](C1)O[C@@H]1CN(CCCCc3ccccc3)C[C@@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJBCBUWMZBIATH-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURDZXWYYGBBOU-MRXNPFEDSA-N", "SMILES:NC(=O)C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IURDZXWYYGBBOU-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGBRMKVXOQGDLV-KRWDZBQOSA-N", "SMILES:Cn1cc(C(=O)N[C@@H](CC(N)=O)c2cccc(Cl)c2)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLTPWENDLOJZLQ-KRWDZBQOSA-N", "SMILES:N#CC[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDHWVOPEHZJTPH-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRJZUHXBQQIFQ-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCRJIIIMZZWAHB-KRWDZBQOSA-N", "SMILES:Cc1ccc([C@H](CC(N)=O)NC(=O)c2c[nH]nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZOWHMEIACACV-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCQLKSWRPZNCDC-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVJYGCLTHOBZSJ-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAKYBOAKKXOKGV-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJIIZNQQZNUKU-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEGXOXOIPRQDMT-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLEXUHWHHRXLFM-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQLOKWBXNZNJAO-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBNFIREGZWKKP-KRWDZBQOSA-N", "SMILES:COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](CC(N)=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIWSNDFKSSBNSD-KRWDZBQOSA-N", "SMILES:N#Cc1cccc(-c2n[nH]cc2C(=O)N[C@@H](CC(N)=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYCMWUMEKFDPRX-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOPCYMKVOENLY-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDKTXRPKEPYIOF-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKEHZXBAAFJVTM-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1F)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRZCEDEPHPUHD-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1F)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDMIUDPUBUHSU-INIZCTEOSA-N", "SMILES:NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1F)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBPONLNAQHNSFB-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2cc(-c3ccn(Cc4ccccc4)c(=O)c3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROXRDPKODZSRI-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3ccccc3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPFMWNVPJZROD-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(CCc3ccccc3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGPJNFARTMSHEZ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)cc(-c2ccn(Cc3ccccc3)c(=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGUUWMZKOLZGIC-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(-c3ccn(Cc4ccccc4)c(=O)c3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSLNBFVXZQQGAG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(-c3ccn(Cc4ccccc4)c(=O)c3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDGRZIUJWTRQT-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(F)c2)cc(-c2ccn(Cc3ccccc3)c(=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTDFTBIWIIHCU-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(CC3CCCCC3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGDBUOJDKTRDT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1ccc(-c2cc(-c3cccc(C#N)c3C)nc(N)n2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSWZWFMTFKKEBB-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2ccc(-c3cc(-c4cccc(C#N)c4C)nc(N)n3)cc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVBXJNQXCRZLD-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2ccc(-c3cc(-c4cccc(C#N)c4C)nc(N)n3)cc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODYENWQFRPCEH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1Cn1ccc(-c2cc(-c3cccc(C#N)c3C)nc(N)n2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZMUAZJNBWVJE-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(Cn2ccc(-c3cc(-c4cccc(C#N)c4C)nc(N)n3)cc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMDVNSQHLCEXFU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Cn2ccc(-c3cc(-c4cccc(C#N)c4C)nc(N)n3)cc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSDLBPGCGUGOF-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDIAMURIZZQVHQ-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(Cl)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQKJEIDVXBBNT-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(Br)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFPOSJSHWTLTL-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(C#N)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXSYTHCSTDOFTR-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(S(N)(=O)=O)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQCMXFKZLJSSBR-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(S(C)(=O)=O)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHMYRWBKYYZIR-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(O)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXZADBKMZMJIOU-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccc(-c3cc(-c4cccc(C#N)c4C)nc(N)n3)cc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCURYNWKZUZIHV-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(CO)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVTRCQYWLFRDCX-UHFFFAOYSA-N", "SMILES:COCc1cccc(Cn2ccc(-c3cc(-c4cccc(C#N)c4C)nc(N)n3)cc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOLZAHDMHQTMX-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(OCC(=O)O)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCTXNWUBLPMBG-UHFFFAOYSA-N", "SMILES:COC(=O)COc1cccc(Cn2ccc(-c3cc(-c4cccc(C#N)c4C)nc(N)n3)cc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQIOHJTYPJGNH-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(C(C)(C)O)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCJWBOJCKDMQW-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(C(C)(C)F)c3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPHIHXCTONPFG-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(C(C)(C)O)n3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUYQDVCGAIZZAM-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2ccn(Cc3cccc(C(C)(C)F)n3)c(=O)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMXZWNYWKUTVFQ-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1nc(N)nc(-c2ccn(Cc3cccc(C(C)(C)O)c3)c(=O)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNSLCBDQDWRXOB-OYOVHJISSA-N", "SMILES:Cn1cc(-c2cn3ncnc3c(-c3ccn([C@]4(CC#N)C[C@@H](C#N)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNSLCBDQDWRXOB-LDTOLXSISA-N", "SMILES:Cn1cc(-c2cn3ncnc3c(-c3ccn([C@]4(CC#N)C[C@H](C#N)C4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOJBQCMVKERQX-UHFFFAOYSA-N", "SMILES:NC(=O)c1nnc(-c2c(F)cccc2Cl)cc1Nc1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XILQGGMJGFCSKZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSCGXZQWKQMTE-UHFFFAOYSA-N", "SMILES:NC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKGAFKZFWIEKPK-CQSZACIVSA-N", "SMILES:CNc1cc(Nc2ccccc2OC)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWVQDCLKFMZDNW-MRXNPFEDSA-N", "SMILES:CNc1cc(Nc2cccc3c2OCCC3)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOMZFYXJYBWQHL-MRXNPFEDSA-N", "SMILES:CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGPGTRHNMKJSB-CYBMUJFWSA-N", "SMILES:CCOc1cccc(Nc2cc(NC)n3ncc(C(=O)N[C@@H]4CCN(C)C4=O)c3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCOLBEKPJKJXFM-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2cccn(-c3cnc(C(C)(C)O)cn3)c2=O)nc2c(C(=O)NC3CCC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCECNKXTZUMHRG-UHFFFAOYSA-N", "SMILES:CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NCC3(CO)CC3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBZTRCFADBCSP-UKRRQHHQSA-N", "SMILES:CNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@@H]3CCC[C@@H](O)C3)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISNNFLRPNKQAKT-SJLPKXTDSA-N", "SMILES:CNc1cc(-c2cn(C(C)C)c3nnccc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSQWAVHWLFDFU-DCPHZVHLSA-N", "SMILES:CNc1cc(-c2cnc3n([C@H]4CCOC4)cccc2-3)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWINBHTTZLVXGT-VXUAOQQCSA-N", "SMILES:[2H]C([2H])([2H])O[C@@H]1CC[C@H]1NC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ccccn4)c3=O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNBUGHQPXRHTD-UNEKZQCUSA-N", "SMILES:[2H]C([2H])([2H])O[C@@H]1CC[C@@H]1NC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBJKITGOXSWAGF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nnc(NC(=O)N2CCC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKCRMYBGJIPMII-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(N3CC(O)C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKTDYJGBPPMCOM-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-n2cc3c(n2)CN(S(C)(=N)=O)C3)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXAMKDUOPPOFFF-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2noc(CN3CCN(S(C)(=N)=O)CC3)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKHCJOUTWUZAT-WFGJKAKNSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ncn(C([2H])([2H])[2H])n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415395", "category": ["biolink:ChemicalEntity"], "name": "ENVUDEUCITINIB", "xref": ["InChIKey:FKCATCQHVCOBCX-WFGJKAKNSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C([2H])([2H])[2H])n2)c1OC"], "synonym": ["Envudeucitinib", "Envudeucitinib", "Envudeucitinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRFKFMWHMPYLQP-WFGJKAKNSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(Nc2cccc(C#N)n2)cc1Nc1cccc(-c2ncn(C([2H])([2H])[2H])n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZEABWOLFVXXBU-WFGJKAKNSA-N", "SMILES:[2H]C([2H])([2H])CC(=O)c1cnc(Nc2cccc(C#N)n2)cc1Nc1nccc(-c2ncn(C([2H])([2H])[2H])n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLAUNOTNQPHOB-LLVKDONJSA-N", "SMILES:CNc1cc2nn3c(cnc13)C(=O)N[C@H](C)COCc1ccc(OC)c(c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWDRAZRBJVZNC-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(-c3cccnc3C(F)(F)F)cn2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGHLVINNRQZLB-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ncc(C2CC2)cc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFFHNVUPLXGDC-JJMJVRKHSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@H]2CC23CC3)cc1Nc1ncc(OCCOC)cc1S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYCXSLUFMWJMT-ZLPYKLTMSA-N", "SMILES:[2H]C([2H])([2H])n1nnc2c3cc(cc21)CO[C@@H]1CCC[C@H]1NC(=O)c1cnc2c(NC)cc(nn12)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAJJEHCOSPUQW-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1nnc2cc1Nc1cc(cc(-c3ccn(C)n3)c1OC)CCOCc1cccc(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFIBERVIFTCJU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc2cc1Nc1cc(cc(-c3ccn(C)n3)c1OC)CCOCc1nc(ccc1C)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHFUHQSXZWFPTI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)n2)c(-c2ccccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRZSJNSORSCQK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)c2)c(-c2ccccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIZDCGARTHGZND-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ncccc2S(C)(=O)=O)c(-c2ccccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSNAYLQHRCSOJZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Nc2ccccc2S(C)(=O)=O)c(-c2ccccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSYLMZYNGUKPD-UHFFFAOYSA-N", "SMILES:COCCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccccn2)nc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEIGGTSBOIAQRO-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(F)cn2)nc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXQVZOBVKQEION-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(C(C)(C)O)cn2)nc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRDKHBSREKWDRJ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc3c(n2)OCC(C)(C)O3)nc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVDLZBWXAYZHZ-QFIPXVFZSA-N", "SMILES:CO[C@@]1(c2cc(C)cc(-n3nc(-c4cnn(C)c4)c4cnc(NC(N)=O)cc43)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNDGFPTNZEEGQ-FQEVSTJZSA-N", "SMILES:CO[C@@]1(c2cc(C)cc(-c3cc(C)n4cnc(NC(N)=O)cc34)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYYZPWEVFCEBC-QHCPKHFHSA-N", "SMILES:CO[C@@]1(c2cc(C)cc(-n3cc(C4CC4)c4cnc(NC(C)=O)cc43)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHRJTDZXJAQAU-VWLOTQADSA-N", "SMILES:CO[C@@]1(c2cc(C)cc(-n3cc(C4CCN(C)CC4)c4cnc(NC(N)=O)cc43)n2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACAQNSZOAXYTFL-ZTFBILFISA-N", "SMILES:CCCCCCCCCCCCNC(=O)[C@H](CO[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]2COC(=O)N21)NC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACAQNSZOAXYTFL-VEFNSGNESA-N", "SMILES:CCCCCCCCCCCCNC(=O)[C@H](CO[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H]2COC(=O)N21)NC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCZWCNKCRXCFF-ZTFBILFISA-N", "SMILES:CCCCCCCCCCCCNC(=O)[C@H](CS[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]2COC(=O)N21)NC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXCZWCNKCRXCFF-VEFNSGNESA-N", "SMILES:CCCCCCCCCCCCNC(=O)[C@H](CS[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H]2COC(=O)N21)NC(=O)CCCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWEVUCIJYUXNQY-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(-c4nc(-c5ccnc(N6CC(OC)C6)c5)cnc4N)nc3)c(C)n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVISOYBMIRDZIW-QHCPKHFHSA-N", "SMILES:CC[C@@H](C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKATVMWRQXIGFK-GBIFBIGNSA-N", "SMILES:CN(CCCCCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3c2CCC(C)(C)C3)cn1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIRDDQMZVGWLL-CYUXUBSPSA-N", "SMILES:CC1(C)CCc2c(C(=O)Nc3cnn([C@@H](CCN4CCN(CCC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c4ccccc4)c3)n[nH]c2C1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STXXSMQHYQHLDA-XGUXPKHRSA-N", "SMILES:CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CN3CCN(CC4CCN(c5ccc(C(=O)N[C@H]6CC[C@H](Oc7ccc(C#N)c(Cl)c7)CC6)nn5)CC4)CC3)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQVWSUZDDNWPU-SNGJCYBASA-N", "SMILES:CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CN3CCN(CC4CCN(CC5CCN(c6ncc(C(=O)N[C@H]7CC[C@H](Oc8ccc(C#N)c(Cl)c8)CC7)cn6)CC5)CC4)CC3)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFUKIKQWNGHJD-RIKRCOKFSA-N", "SMILES:COc1cc(OC)c(C(C)C)cc1-c1nn(C)c(=O)n1-c1ccc(CN2CCN(CC3CCN(CC4CCN(c5ncc(C(=O)N[C@H]6CC[C@H](Oc7ccc(C#N)c(Cl)c7)CC6)cn5)CC4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWDUYRDQFAINJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CN3CCN(C)CC3)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKJVLEGTSYMBPK-UHFFFAOYSA-N", "SMILES:CCOc1ncc2nc(-c3ccc4nn(C)cc4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFXABGPLCJIMF-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3ccc4nn(C)cc4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZXVJKWGPSIRPT-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3cc4c5c(c3)ncn5CCO4)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLYHTUIUEQJPDW-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(-c3ccc4c(c3)C3(CC3)CO4)c(=O)n(-c3ccc(OC(F)F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDNTRWWCHGCDN-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(C)C5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHTUHFMGYFXIDU-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4c(c3)nc3n4CCN(C)C3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVHHOHLJVUBCNU-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4nn5c(c4c3)CN(C)CC5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUDSFQIZCHCZEU-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4nn5c(c4c3)C(=O)N(C)CC5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXLBLUVJLPNRA-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(C(C)C)C5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPBVNQJBQUORB-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(CC#N)C5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNPUVQHHLCHJOO-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(CCOC)C5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPYGKCYFQQLPRI-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(CC3COC3)C5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYUYMCQLDGBEW-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(C(C)=O)C5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDOVHMQCDYOTH-UHFFFAOYSA-N", "SMILES:COc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(C)C5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLLJSNZMRWHHEP-UHFFFAOYSA-N", "SMILES:CCNc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(C)C5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUYJFJQHEXKNJO-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(C)C5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUXSSQWWWHHMC-UHFFFAOYSA-N", "SMILES:CN1CCn2c(nc3ccc(-c4cc5cnc(OCC(F)F)nc5n(-c5ccc(OC(F)F)cc5)c4=O)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSSMDGKWRTADD-UHFFFAOYSA-N", "SMILES:CN1CCn2c(nc3ccc(-c4cc5cnc(NCC(F)(F)F)nc5n(-c5ccc(OC(F)F)cc5)c4=O)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSPXNEJMDKEWGX-UHFFFAOYSA-N", "SMILES:CN1CCn2c(nc3ccc(-c4cc5cnc(C6CC6)nc5n(-c5ccc(OC(F)F)cc5)c4=O)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTDOJGZRTYVMDH-UHFFFAOYSA-N", "SMILES:CN1CCn2c(nc3ccc(-c4cc5cnc(N6CCC6)nc5n(-c5ccc(OC(F)F)cc5)c4=O)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WASKDXZFPYJIHM-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(C)C5)c(=O)n(-c3ccc(OC)nc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRYOASKEJPKLR-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4nc5n(c4c3)CCN(C)C5)c(=O)n(-c3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBMKTIPBTRVUAX-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(=O)n(-c3ccc4nn5c(c4c3)CN(C)CC5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKYGPVQISDPAZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(=O)n(-c3ccc4nc5n(c4c3)CCN(C)C5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJEFLINLFOFSSG-BJJXKVORSA-N", "SMILES:O[C@H]1[C@H](Cn2cnc3c(NCc4cccc(F)c4)ncnc32)CC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWBJAPOWMKHMQ-MBNYWOFBSA-N", "SMILES:O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c(NCc3cccc(Cl)c3)nc(I)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXCQDXVICCQMBX-FKQYMORYSA-N", "SMILES:O[C@@H]1C[C@@H]2C[C@]2(Cn2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHKWQUOWHFEGC-FKQYMORYSA-N", "SMILES:O[C@@H]1C[C@@H]2C[C@]2(Cn2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKLCLLCNEQKBHK-FKQYMORYSA-N", "SMILES:O[C@@H]1C[C@@H]2C[C@]2(Cn2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBNDGNGIFVZLS-FKQYMORYSA-N", "SMILES:O[C@@H]1C[C@@H]2C[C@]2(Cn2cnc3c(NCc4cccc(I)c4)nc(I)nc32)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOXYNSJNXXZEKN-HGYYMRRCSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTMKBZDOIBAAZ-HGYYMRRCSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNDILLYULJAKN-HGYYMRRCSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTLXRDGYWDTXHB-TVJKQAJBSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3ccccc3I)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGHIRLUUGKNLID-HGYYMRRCSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(I)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRGBYVDYTWOAH-LNSITVRQSA-N", "SMILES:O[C@H]1[C@H](Cn2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)CC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUAHKCIKMUMRM-LNSITVRQSA-N", "SMILES:O[C@H]1[C@H](Cn2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)CC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQQUEJRXQAQRMP-LNSITVRQSA-N", "SMILES:O[C@H]1[C@H](Cn2cnc3c(NCc4cccc(I)c4)nc(I)nc32)CC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTDDZSINHGWEKW-LNSITVRQSA-N", "SMILES:O[C@@H]1[C@H](O)C=C[C@H]1Cn1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUITDSAALFRRH-LNSITVRQSA-N", "SMILES:O[C@@H]1[C@H](O)C=C[C@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXDSQCCRDLZLF-HGYYMRRCSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFYGPYAOHYNYGG-LNSITVRQSA-N", "SMILES:O[C@H]1[C@H](Cn2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)CC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPFGWBZKRNOLEC-SZVRAQGESA-N", "SMILES:COc1cccc(CNc2nc(Cl)nc3c2ncn3C[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@H]23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXJXONNJLOJUCO-HGYYMRRCSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3ccc(I)cc3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPQPLSTVXUPEH-LNSITVRQSA-N", "SMILES:O[C@@H]1[C@H](O)C=C[C@H]1Cn1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGREISQNHCMKP-SZVRAQGESA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(I)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNIWKBPUMPPGV-HGYYMRRCSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(F)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFHPRUYSLCFZHW-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccoc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPNIVDNFCGVIJA-NRFANRHFSA-N", "SMILES:CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITIJSNAXJYNLKI-QFIPXVFZSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDRWTGBDDFOKT-RUZDIDTESA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXYQOKIJNUXEC-RUZDIDTESA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFWOYPHORNNCQ-QFIPXVFZSA-N", "SMILES:NCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWOUUAOAINUCN-QFIPXVFZSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBHBHRNASMAGD-SANMLTNESA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRJWEGKHAQSNT-NRFANRHFSA-N", "SMILES:CC(C)[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZSGLSDACIBEEM-RUZDIDTESA-N", "SMILES:Nc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQMRVUPQNYGRP-VWLOTQADSA-N", "SMILES:Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQMQUZMYIDMBS-NRFANRHFSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRSAKQMVNTXMV-SANMLTNESA-N", "SMILES:Nc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIKIALYVJQHPI-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRUBEDODHVFEF-ZDUSSCGKSA-N", "SMILES:C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPNIVDNFCGVIJA-OAQYLSRUSA-N", "SMILES:CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXYQOKIJNUXEC-VWLOTQADSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLMXGUMMWLXDR-VWLOTQADSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKQTOUKZVZUHC-UHFFFAOYSA-N", "SMILES:O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWVDHKWWZWLRV-NRFANRHFSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSAMJMZHTPXGRA-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)NCC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWMAXJISULIHA-ZDUSSCGKSA-N", "SMILES:C[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRJWEGKHAQSNT-OAQYLSRUSA-N", "SMILES:CC(C)[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBOVTDJSQRLGGI-QFIPXVFZSA-N", "SMILES:CC(C)C[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNBNEGFLHUVHN-DEOSSOPVSA-N", "SMILES:Nc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2c3c(cc4c2CCC4)CCC3)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZSGLSDACIBEEM-VWLOTQADSA-N", "SMILES:Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMGUZWHGFRAKLR-QFIPXVFZSA-N", "SMILES:NCCCC[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IESCSIILWLUNLS-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)NCCC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXICTHDSBDIOD-QFIPXVFZSA-N", "SMILES:Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLHCVSBSMPRCH-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSQZAMQEHSISJA-UHFFFAOYSA-N", "SMILES:c1ccc(C(CCNC2CCNCC2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YREPTYNUQVYXCF-CQSZACIVSA-N", "SMILES:COc1cc2ncnc(N[C@H](C)c3cccc4ccccc34)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHVIFTSYKUQOKT-CQSZACIVSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cccc4ccccc34)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHDNGCDWWAYLR-CYBMUJFWSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cccc(-c4cn[nH]c4)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGHKPVESIEVSW-UHFFFAOYSA-N", "SMILES:COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C)(O)C(O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQDGDLXZKERNI-BMEFKTLXSA-N", "SMILES:COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C)(O)C(O)C3O[C@@H]1OC[C@H](O)[C@@H](OC)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4530195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWRJSXFGIHCWRZ-AQNQMEFGSA-N", "SMILES:CC1=CC(=O)/C(=C/N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCTQLSFNVRFHCC-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCc2nn(Cc3cccc(OC)c3)c3nc(-c4ccccc4Cl)c4cc(OC)c(OC)cc4c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUDXQNXRPONLRD-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNCc2nn(Cc3cccc(OC)c3)c3nc(-c4ccccc4Cl)c4cc(OC)c(OC)cc4c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXNFTSACISLCLI-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCc2nn(Cc3cccc(OC)c3)c3nc(-c4ccccc4Cl)c4cc(OC)c(OC)cc4c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDSFNGBTVLRJI-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(CNCc3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXTKRNXKQHDZEJ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(CNCc3cccc4ccccc34)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIYZFQPDVFYJFD-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(CNCc3ccc4ccccc4c3)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJWCHGCJMUNFGW-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(CNCCc3ccc4ccccc4c3)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSICFSMUIHUILB-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(CNCc3cc4ccccc4[nH]3)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMZDXNIPRKLOOL-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(CNCc3ccccc3Oc3ccccc3)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVZBGAHDZWJJBT-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(CNCc3cccc(Oc4ccccc4)c3)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQSSHQUXVNYUPZ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(CNCc3ccc(Oc4ccccc4)cc3)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMWQFRVSXKSFDB-UHFFFAOYSA-N", "SMILES:COc1cc2c(-c3ccccc3Cl)nc3c(c(CNCc4cccc(Oc5ccccc5)c4)nn3Cc3cccc(Cl)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNYPSZLUGKDEB-UHFFFAOYSA-N", "SMILES:COc1cc2c(-c3ccccc3Cl)nc3c(c(CNCc4cccc(Oc5ccccc5)c4)nn3CC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSXNIIVTYZLTCA-UHFFFAOYSA-N", "SMILES:COc1cc2c(-c3ccccc3Cl)nc3c(c(CNCc4cccc(Oc5ccccc5)c4)nn3CC3CCNCC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZXVFYURIGNZJF-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(CNCCc3cccc(Oc4ccccc4)c3)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUOBOJNLXPRSMI-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2nc(CNCc3cccc(OCc4ccccc4)c3)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL71294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCCBWMZKJQGLS-HNNXBMFYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAOEKSLYKFTKF-GOSISDBHSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHECULCAGFUPGT-UHFFFAOYSA-N", "SMILES:CCCC(=O)N1CCCC(C(C)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOAMSPIUGBXLIS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C2CCCNC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZGNNJULCOVMFP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C2CCNCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQAVYRTVKXSYHH-HXUWFJFHSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C23CCN(CC2)CC3)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPEBWNUVJZJWMI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C2CCNC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZGNNJULCOVMFP-GOSISDBHSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2CCNCC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUSPMLCFPBBAJ-LJQANCHMSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAWRXMPUGMBIEH-GOSISDBHSA-N", "SMILES:CCc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGCCZKLCYARQU-QGZVFWFLSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVHFHVWRXLSXJR-MRXNPFEDSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJGXKVOJJIZPOS-QGZVFWFLSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)c(F)cc1NC(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEITUEUSXWSLTN-LJQANCHMSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)c(C)cc1NC(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUSNWNTWQCLKQM-QGZVFWFLSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)c(Cl)cc1NC(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJMCYRWWUTXNJY-QGZVFWFLSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)c(Cl)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEDJVOTUUKLHRW-QGZVFWFLSA-N", "SMILES:Cc1ccccc1C(=O)Nc1c(C)cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQZBVXGFXOFUTO-MRXNPFEDSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSRWDJDZWGVKOZ-MRXNPFEDSA-N", "SMILES:COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2CCNCC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAVBVYZHFALFJB-QGZVFWFLSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1cccc(Cl)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKQQCQXMXMBPKV-QGZVFWFLSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPVBCZDLWQLPE-QGZVFWFLSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1cc(Cl)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXLMWYCUIMHKI-QGZVFWFLSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1c(C)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMXGGZBLZCJYIK-GOSISDBHSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJDOIQXRVHSNCC-OAHLLOKOSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)ccc1NC(=O)c1ccsc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEOXMRLFRBVDBK-HXUWFJFHSA-N", "SMILES:CCCN1CCC([C@@H](C)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXPFZUQJBWFAY-LJQANCHMSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C)C2CCN(C3COC3)CC2)ccc1NC(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEYIHSISAIXMAC-HXUWFJFHSA-N", "SMILES:COCCN1CCC([C@@H](C)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDQLADPSFLENGF-LJQANCHMSA-N", "SMILES:CNC(=O)CN1CCC([C@@H](C)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGPRWSOWYEIGO-LJQANCHMSA-N", "SMILES:COC(=O)CN1CCC([C@@H](C)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQPBKDNHVUUSGD-XMMPIXPASA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H](C2CC2)C2CCN(C)CC2)ccc1NC(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVEZMPCACAEEPC-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)NCC2CCN(C)CC2)ccc1NC(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL221251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHPIAISBTHGTMM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCN(C)CC3)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNMAWVASMPVFIB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCCLCJNBYCZIY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(N)=O)c(Oc3c(F)cc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEAHBFHACKLFH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(Cl)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJQKZPTBFMRMK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)ccc1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJCNSYRZVSYYEU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(C#N)cc2)ccc1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWRGZENFGWHLQM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(N)=O)c(Oc3ccc(-c4ccc(C#N)cc4)cc3F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAWZVTXFGWRFO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncc(C(N)=O)c(Oc3ccc(-c4ccc(C#N)cc4)cc3Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZDNKUEONWNKO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXUGCPZAAWMRO-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAISEOHHAKOLIS-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUAVPHLGFSTORV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTODTRNERHLJU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPDNKQTPCNWNL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(=O)NCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXMKXBUAZPLIPM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(=O)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAYUVRYROBWJD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLMCYPIMZKNGJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZPAVYFWIIJDHQ-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVAQSYPQKDUEBC-UHFFFAOYSA-N", "SMILES:CONC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPYYIQQQZDXABS-UHFFFAOYSA-N", "SMILES:CCONC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVPMNILNVCYTQO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTZDOTLWZJHGEJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C#N)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1C(=O)NCCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPADRACEDAILH-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APORIYKJQKKECQ-XEVCZEQESA-N", "SMILES:Cc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)N4CC5CCC(C4)N5C)ccc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOXMSEIUUBCZPZ-FYZYNONXSA-N", "SMILES:CCCCCCCCCCc1ccc2oc(NC[C@H]3CCNC3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGPLSHXGABHNX-FERBBOLQSA-N", "SMILES:CCCCCCCCCc1ccc2oc(NC[C@H]3CCNC3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSWUDRXNKIPQA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc2oc(CCCN)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFZFDSEDCYYTQ-FERBBOLQSA-N", "SMILES:CCCCCCCCCCc1ccc2oc(N[C@H]3CCNC3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFZFDSEDCYYTQ-GMUIIQOCSA-N", "SMILES:CCCCCCCCCCc1ccc2oc(N[C@@H]3CCNC3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICYZGCYGSDKQX-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc2oc(NC3CCNCC3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWYCHYUWQVPLX-FYZYNONXSA-N", "SMILES:CCCCCCCCCCc1ccc2oc(N[C@H]3CCCNC3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNWYCHYUWQVPLX-FSRHSHDFSA-N", "SMILES:CCCCCCCCCCc1ccc2oc(N[C@@H]3CCCNC3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOXMSEIUUBCZPZ-FSRHSHDFSA-N", "SMILES:CCCCCCCCCCc1ccc2oc(NC[C@@H]3CCNC3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNNDEGROWPAACZ-LMOVPXPDSA-N", "SMILES:CCCCCCCCc1ccc2oc(NC[C@H]3CCNC3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVHUHNZYNZOTEH-FYZYNONXSA-N", "SMILES:CCCCCCCCCCc1ccc2nc(NC[C@H]3CCNC3)oc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEXNZMSNISWAF-BDQAORGHSA-N", "SMILES:CCCCCCCCCCCc1ccc2oc(NC[C@H]3CCNC3)nc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKEWNNFCGXSKRD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccccc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXPIUFLTHLEQC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccccc4OC)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIHXLPNVGTBQX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3[nH]c(C(=O)N4CCc5cc(OC)c(OC)cc5C4)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYBGJRACFZLIG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(C(=O)N4CCc5cc(OC)c(OC)cc5C4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRWWXEIIILAJID-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ccc3[nH]c(C(=O)N4CCc5cc(OC)c(OC)cc5C4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIUSHLATXYWIA-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2ccc3[nH]c(C(=O)N4CCc5cc(OC)c(OC)cc5C4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWKHJPVTKGUFEJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(OC(C)C)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVDAHBPMITGRH-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2ccc3[nH]c(C(=O)N4CCc5cc(OC)c(OC)cc5C4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCMWRDBCTXVZPZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(OC(C)(C)C)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCBJHPNYYHYQV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(OC(F)(F)F)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMWVWWIHWAENOM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(Oc5ccccc5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPDUKBINRXWTRV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4cccc(OC)c4OC)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXVDSVAMBGPONC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(C(=O)N4CCc5cc(OC)c(OC)cc5C4)cc3c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRMYMUMZVYDDV-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2ccc3[nH]c(C(=O)N4CCc5cc(OC)c(OC)cc5C4)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQBKMRFWQCSEJP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(C(=O)N4CCc5cc(OC)c(OC)cc5C4)cc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFDSMCHRBFALI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccc3[nH]c(C(=O)N4CCc5cc(OC)c(OC)cc5C4)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZMEGCICCVIHR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4cc(OC)c(OC)c(OC)c4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABMZOGYLKHVQP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc5c(c4)OCO5)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIIQKTKEHHNEMF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccccc4C)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNDFKCXTFSPXNY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4cccc(C)c4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTRPATFIZLCORA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(C)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWJNYATPGDLNP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccccc4[N+](=O)[O-])ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARYLBKXLNMZKOK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4cccc([N+](=O)[O-])c4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRHRPLLAHEASK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc([N+](=O)[O-])cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNUKNLRYHLCINU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccccc4F)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDCRTIYECIRPU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4cccc(F)c4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJRKSKALMDBTF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(F)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTWNTDTKQJFFM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccccc4Cl)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVIWPIFDCNXKLS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4cccc(Cl)c4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSJYYTYHORJJL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(Cl)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBQUIJGWYLJGA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(N)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBUJPDLOIRFIB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccccc5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNXRPCBFGAPLKL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccccc5F)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWSIHUAKXVAKD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5cccc(F)c5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKZXJJNPPIVVMZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(F)cc5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNBJXZFJGUJWRX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccccc5Cl)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSWHZMXYKPVOJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5cccc(Cl)c5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTIOGBQWQWDWSN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWOSOYJIIQFXAP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Br)cc5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGVZQUSSABXDCM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(I)cc5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMRNPVVDLZHCCV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKKCGLVWSFNAS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(C(F)(F)F)cc5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTEOTYSQVUWMFF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Oc6ccccc6)cc5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLAHUOBBJVISNR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccccc5OC)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCMFBRLJCGMWPZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc(-c3ccc4[nH]c(C(=O)N5CCc6cc(OC)c(OC)cc6C5)cc4c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXVZUFFWWHSEOB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(-c3ccc4[nH]c(C(=O)N5CCc6cc(OC)c(OC)cc6C5)cc4c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZKTPFHZDIUJU-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Nc2ccc(-c3ccc4[nH]c(C(=O)N5CCc6cc(OC)c(OC)cc6C5)cc4c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTGFOELYZZDOLL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(OC(C)(C)C)cc5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAFYNRPNQAJSEB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(-c3ccc4[nH]c(C(=O)N5CCc6cc(OC)c(OC)cc6C5)cc4c3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEALKOZVNJWOFQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5cc(OC)c(OC)c(OC)c5)cc4)ccc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEJYLUGZGAQDHV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUJNGFOBBIBQQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccccc1F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFGPUEHUIRKLNY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1cccc(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUJIRNDYYCGPT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccc(F)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGMIUBSRKQFEDA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccccc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSBHVBLQJVHBTD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDDTTIZMYLYIT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDKNOJPPLMHDK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccccc1Br)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJRMTEHSCKSHDD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1cccc(Br)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKOQBYUPYDLAS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccc(Br)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQXSOGJDNKTTO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccccc1C(F)(F)F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIEOKCYZFQLPTC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1cccc(C(F)(F)F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLHWNXLDUCHKW-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccc(C(F)(F)F)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBLMCVHTIXHAJA-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEBRBBYNXPRBF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZUASXOVXMUPX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccc([N+](=O)[O-])cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCMKXKOHCAFMAT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccc(C)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDWHTVQRMOORS-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1ccc(OC(F)(F)F)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZCXKPNIJGNSPF-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc32)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWPTBGCBXUCQN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)ccc3n1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCSHINHOAVARGQ-GOSISDBHSA-N", "SMILES:Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1N(C)[C@@H]1CCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPFJREDMSSEFJB-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1OCCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3934636", "category": ["biolink:ChemicalEntity"], "name": "ULIXACALTAMIDE", "xref": ["InChIKey:JOCLITFYIMJMNK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1"], "synonym": ["NP-169944", "NP169944", "PRAX-944", "PRAX944", "Z-944", "Z944", "Ulixacaltamide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4062225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNCUEWYWBUIFTQ-UHFFFAOYSA-N", "SMILES:C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLDSGSZJVNADF-BHGWPJFGSA-N", "SMILES:O=C(O)C1=CCCN(COC/N=C/c2ccccc2-c2ccc(Cl)cc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBSRETZPFOBWNG-PVPKANODSA-N", "SMILES:N[C@H]1CC(C(=O)O)CC1=C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNVAXRZOSLCCO-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=S)N=C(c3ccccc3)CC2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKDREKCTHQQNM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1N1C(=S)N=C(c2ccc(O)cc2)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4740703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMAFDZYZUPMMAI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)N2C(=S)N=C(c3ccccc3)CC2c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1789558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULVWQSSQQHJQPK-UHFFFAOYSA-N", "SMILES:C=CCCCNC(=O)OCCCc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUTWFPETSGVLN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTDSXDDPJSVQAE-BVNKNNPGSA-N", "SMILES:C=C(C)[C@@]12OC3(c4ccccc4)O[C@@H]1[C@@H]1[C@H](O)[C@](Cl)(COC(=O)c4ccccc4)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOURCHHIQAEXFG-HYXRHBIESA-N", "SMILES:C=C(C)[C@@]12OC3(c4ccccc4)O[C@@H]1[C@@H]1[C@H](O)[C@](Cl)(COC(=O)c4ccccc4)[C@@H](OC(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXAGMWATGGYSTC-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZXSIVYGSBLVLS-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMSLQLDYUIFKB-UHFFFAOYSA-N", "SMILES:O=C1Nc2cc(Cl)ccc2/C1=N/NC(=O)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDAWXRJQILAEID-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBTTWOYBDUMUEX-UHFFFAOYSA-N", "SMILES:O=C(CCNCCC1CCN(Cc2ccccc2)CC1)NN(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UITZTMSTIIFBGM-UHFFFAOYSA-N", "SMILES:O=C(CCNCCN1CCN(Cc2ccccc2)CC1)NN(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWUCDPMEFZJLM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2NS(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVARQTHXJDZWTD-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(COc2cc(NC(=O)c3ccc4ccccc4c3)ccc2NS(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STZWRXCWPDEBBZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2cc(-c3ccccn3)nc(C3CCCNC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDPHBJKDCLTQAW-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Nc2cc(-c3ccccc3)nc(C3CCCNC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSCWLSRTLWEGLI-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(-c3ccccc3)nc(C3CCNCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCWHTUFSPPESRF-UHFFFAOYSA-N", "SMILES:COCCN1CCC(c2nc(Nc3cccc(N(C)C)c3)cc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGGORHPZMJVKNU-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2cc(-c3ccccc3)nc(C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNNFJWKVZAKSX-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Nc2nc(-c3ccccc3)nc(C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOHJEWFKBRNJIO-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCOCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZEWZFAHLWCGMX-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)O)cc(OC)c2n1CCCNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQWZLDVTXOONF-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)NO)cc(OC)c2n1CCCNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSCWXZRIFPFMDP-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(-c3nnc[nH]3)cc(OC)c2n1CCCNC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVCZGMNHNEXFT-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCN(C)C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVYMACLTWKWNP-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C1CCN(C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWAFXVCAONKBI-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CC1CN(C(=O)OCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PREYKYWKASAZGJ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCc1nc(Cc2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAHMHTIXSMDEAW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPMFERWQOGYRCK-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1nnc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZOQSSRBOZUSTP-GOSISDBHSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)O[C@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZOQSSRBOZUSTP-SFHVURJKSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)O[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXNGPDSKDUQQO-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OC1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCUZMZKCHDRMGT-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDLUZOYNPWHPV-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFJQWXGWJVDSRB-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVKWBSRNZNHGCS-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRKIHGHCBVUGJ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFVPITQKNOQEIK-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHAHAJQNAXDRQP-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGNUOGUWGQQHV-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFNUJXVSGFNMOT-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IROJCVDCSHXEAK-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIXNRPOVNLVMMR-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMGMSDATVMJVOZ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXGDTJONWHTMX-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQMMVLGAJJHMR-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSIHLJQTVBILMQ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFBFYSQVNDLYOX-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUBLWZKSIRMDSV-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRAAIJSEKMCMMS-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSAHBSKKFDEUKB-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISWXMZDQBRILME-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYLYIIXUSAFRIJ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQIWMCHROFIGNO-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCZNBFHDTVDGL-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFQNMVMMYNTCBF-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTQVIQMFSYTPJ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDNPDUMQLJZLAM-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUZKVJJAAINPQ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBYBAQWBSASMTL-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRDDQZMEAHKUPW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(Cl)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNYSKAWYVHRNMB-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWUEMFPJWDZOS-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccccc2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSUAZVPDWCIIG-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDMMYDETYHJCC-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWJZGNZENFGINZ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccccc2Br)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQYUEOCJTFRHGG-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(Br)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZCRNIGLZNAOG-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccc(Br)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIYNHFVZULWLSU-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(F)c2F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSUQZSDGZIEYDY-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccccc2C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRVPGPCPHDVFRI-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccccc2OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAIPDXPIJPBWOT-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccccc2C(F)(F)F)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQNAWVZZBOIDTN-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccc([N+](=O)[O-])cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZAJWVLKRPVRRW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccccc2C#N)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUTMVZWCRVDVSP-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2ccccc2C(=O)OC)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FERMUWWIMSGONW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(C)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKIPYYUBAWAXNO-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(OC)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YREPAWBBDLKBKG-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(OC(F)(F)F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDXSVOXEYHSKY-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(OC(C)(C)C)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZGYBWJBYAMFIH-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(C#N)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKJOBRLLQISNB-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(C(=O)OC)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHOVJAVOHCRZDY-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNc1ncc(-c2cccc(C(=O)N(C)C)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYYPCWAUQMVJQ-UHFFFAOYSA-N", "SMILES:COc1cc2sc(C(=O)CCC(=O)O)cc2cc1CCCc1cc2cc(C(=O)CCC(=O)O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVEXJKQESNIDLM-KRWDZBQOSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nnc4n3[C@H](c3ccc(Cl)cc3)CC4)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAHWMOZPVCJAY-HNNXBMFYSA-N", "SMILES:Cc1n[nH]c2ncc(-c3nnc4n3[C@H](c3ccc(Cl)cc3)CC4)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJTQBPCQZQSZFF-HNNXBMFYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nnc4n3[C@H](c3ccc(Cl)cc3)CC4)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCSZVWZRTZNCH-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nnc(C)n3Cc3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXRCZLGBPPMVSP-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2ccc(-c3nnc(C)n3Cc3ccc(C(F)(F)F)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCBUHIGCYKSAAG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc(NC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)n(C)c2Cc2ccc(OC)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOYKYAZLIXXDI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N(C)CCN(C)C)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVPJLNWCYZVHLQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(C4CCN(C)CC4)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMRLLJVZOYNRJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMIXZFQIXKWPMP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGRBCXOVNGMMT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMRVOBDLZLCREI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N(C)C)CC4)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMAAMODFUDYAJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXQTXPNFWQOJJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3OC)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAULAURNLVJGLO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOJKZBIZFOLRS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGPOVZSTKXCEL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(CC)CC4)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSWOVLBUPCVVGA-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWUHNNCFKVCHAE-HWKANZROSA-N", "SMILES:C/C=C/C(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIHHESKEYUEED-LICLKQGHSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Nc4cccc(NC(=O)/C=C/c5ccccc5)c4)c4cc(Cl)ccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPOIRNGRCLMLCK-UHFFFAOYSA-N", "SMILES:CC(C)=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQDFORCBNKFZPZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMLOUGUKGSZJF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(C)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBSQOWOFLGDQY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUHQHJFTSFYKNV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDWNVZXLHSMELQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURIXXWSPGAHRR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(Br)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOXYAXZLMDQWST-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(I)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRJMIAUSYSCXOX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc([N+](=O)[O-])cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEZDBHGKCKGWTO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(C(F)(F)F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKQDLWGDXPMIIA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3cccc(Cl)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOGDKWHHEMSGSJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLZZRKPBOUSQQM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c(Cl)cccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOXOKTOOVYMZSA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3cccc(F)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXWSZJUXBPVIAG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKDJYQDOGWGIL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c(F)cccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNJBEYAVBETIP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c2CCCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFNBBXIWXQQOA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N(C)CCN(C)C)cc3)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTVRJPEEMJBQG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCOCC4)cc3)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSVENZSMFFUAI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(C4CCN(C)CC4)cc3)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPIEQSYEJNMSE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGSWOFIUALBVEE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKYDGSZTERNNHK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(CC)CC4)cc3)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAACHOANYBJGNG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N(C)C)CC4)cc3)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVYRLJYPTVPJH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQDVNCLROBIPGZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEYYAFLULJEOI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3OC)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEXDUYNYWWZJX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMOXLTWONLMMD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJLWCBPTNMDHC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N(C)C)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVRWRGBSAHJCTI-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(-c5ccccc5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPCAMVWJRJSTF-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4ccccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSUBCDSLPBKKU-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(C(=O)N(C)C)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMADEYXERMKKAW-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(CC(=O)N(C)C)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDWMNQLRPNHQL-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(CCC(=O)N(C)C)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPRQLYLRGGSKG-UHFFFAOYSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(CCCC(=O)N(C)C)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUZHUCCIFMNHFH-GHRIWEEISA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(/C=C/C(=O)N(C)C)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTYHVCWEKQDJQ-FOWTUZBSSA-N", "SMILES:CNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(N(C)C(=O)Cc2cccc(OC)c2)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPABQWXVKAWCPJ-RVDMUPIBSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(/C=C/C(N)=O)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHMMSWVMGKTXDU-NBVRZTHBSA-N", "SMILES:CCCCNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(N(C)C(=O)Cc2cccc(OC)c2)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVHJRNUECWPPGV-FOWTUZBSSA-N", "SMILES:COCCNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(N(C)C(=O)Cc2cccc(OC)c2)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBRFHSUITQXHSN-GHRIWEEISA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(/C=C/C(=O)NCCN(C)C)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQOABJZISSUACA-GHRIWEEISA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(/C=C/C(=O)Nc5cccnc5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNIHPUJALPLIKH-NBVRZTHBSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(/C=C/C(=O)Nc5ccccn5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXJBONFEXBSTQ-RVDMUPIBSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(/C=C/C(=O)Nc5ccncc5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKSJMYZDVGBDL-FOWTUZBSSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(/C=C/C(=O)N(C)c5ccncc5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRXQBHZRMFLDLJ-CAPFRKAQSA-N", "SMILES:COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(/C=C/C(=O)Nc5ccccc5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXJBONFEXBSTQ-XLRZBZHBSA-N", "SMILES:COc1cccc(CC(=O)N(C)[C@H]2CCCc3ccc(NS(=O)(=O)c4cc(/C=C/C(=O)Nc5ccncc5)ccc4OC)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXJBONFEXBSTQ-YTUVCLRASA-N", "SMILES:COc1cccc(CC(=O)N(C)[C@@H]2CCCc3ccc(NS(=O)(=O)c4cc(/C=C/C(=O)Nc5ccncc5)ccc4OC)cc32)c1"]}
{"name": "Orexin/Hypocretin receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL2434819"], "id": "UniProtKB:P58307", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Orexin receptor type 2", "xref": ["CHEMBL.TARGET:CHEMBL2434818"], "id": "UniProtKB:P58308", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVPSMUNWZOCKFE-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])Oc1cc2ccccc2c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZOFUXHGEXEJLR-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])Oc1ccc2ccccc2c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVUGXWUUXMUJI-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])Oc1cccc2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UERXMJMVZLVQLS-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])Oc1ccccc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKOBPGDYHAWNZ-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUTRFCHTZOYSIK-UHFFFAOYSA-M", "SMILES:CCCCCOP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHKCISWAGCWSQS-UHFFFAOYSA-M", "SMILES:CCCCCCOP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJSSDPNTRMGJZ-UHFFFAOYSA-M", "SMILES:CCCCCCCOP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYCVZRVUTWNXTR-UHFFFAOYSA-M", "SMILES:CCCCCCCCOP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDGDFRKESACBSR-UHFFFAOYSA-M", "SMILES:CCCCCCCCCOP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROTBOUULYSWGJM-UHFFFAOYSA-M", "SMILES:CCCCCCCCNP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLQDXJFEASIPN-UHFFFAOYSA-M", "SMILES:CCCCCCCCP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLQEUMVWVWWJX-MKWAYWHRSA-M", "SMILES:CC/C=C\\CCCCOP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGGKNUPGZDJFBM-UHFFFAOYSA-M", "SMILES:CCCCCC#CCOP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVDOJSFUPMVNT-UHFFFAOYSA-M", "SMILES:CCOCCOCCOP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJZPMDAWBJSAR-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1CC1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQOAWGPMKANQDL-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1CCOC1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVENSLPEHBXBDL-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1CCCCC1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOVOODUCBITJK-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1CCOCC1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWGLDOIECIRKY-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1CCCCCC1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHKVKSZMKGQFZ-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1CCCCC1C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFQCQDPYVIZIAV-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1CCCC(C)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOUFMEKCCDLWAK-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1CCC(C)CC1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKTUIOOFKPNETE-VDWUQFQWSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])O[C@H]1CCCC[C@@H]1C(C)C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDKLVCHBRAVCB-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC1C(C)(C)CCCC1(C)C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEFFQFUSGRSRKJ-FVJIEKSSSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEFFQFUSGRSRKJ-JBHCIAEESA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIKRNLZZEQBLDP-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])Oc1cc(C)ccc1C(C)C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVGWTZDRVFAJKZ-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])Oc1cc(C(C)C)ccc1C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGTZMPFNOSUHJZ-PMZUHCFUSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGTZMPFNOSUHJZ-YQLOZXOXSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMRGIYMIDBUNG-PYTAYNTFSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])O[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQAUTAGBZMLWLE-LYKJBEOTSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])O[C@H]1C[C@@H]2CC[C@H]1C2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIRESDXMASSIP-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC12CC3CC(CC(C3)C1)C2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MARPCXZTRBMBKE-UHFFFAOYSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])OC12CC3CC(C)(CC(C)(C3)C1)C2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMRGIYMIDBUNG-OZWXPUTRSA-M", "SMILES:COc1cccc2c1Sc1ccccc1C=C2OP(=O)([O-])O[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPMEVHGQBGCKT-QFKHJUPESA-M", "SMILES:CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OP(=O)([O-])OC1=Cc2ccccc2Sc2c(OC(F)(F)F)cccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJXTCOUXODJPY-BSRVYZCGSA-M", "SMILES:CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OP(=O)([O-])OC1=Cc2c(Cl)cccc2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZOJYDJGKKFDGQ-BSRVYZCGSA-M", "SMILES:CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OP(=O)([O-])OC1=Cc2c(F)cccc2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GINDOMUIQLXIKU-VEIJCTOFSA-M", "SMILES:CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OP(=O)([O-])OC1=Cc2ccccc2Sc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKJSVPQTEBHSKP-VEIJCTOFSA-M", "SMILES:CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OP(=O)([O-])OC1=Cc2ccccc2Oc2ccccc21.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSTRARQCJGLPFD-XXPMRREZSA-M", "SMILES:CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OP(=O)([O-])O[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBIPQDSSOLFVRO-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCC(=O)NO)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPWCZSDZBDSNN-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCCCC(=O)NO)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVWRVUQZNYKON-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCCCCCCC(=O)NO)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQYXAGOVMRYFIS-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(OCCCCCCC(=O)NO)c(F)c2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1162148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCNMFDFYJUPEF-OWOJBTEDSA-N", "SMILES:O=S(=O)(O)c1cc(N=C=S)ccc1/C=C/c1ccc(N=C=S)cc1S(=O)(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1443161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNXOUPCRZLYZDK-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(C3CC(c4ccco4)=NN3C(=O)CCC(=O)O)c(Cl)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAAXBYBOTPWJKN-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)N1N=C(c2nc3cc(Cl)ccc3[nH]2)CC1c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFGVDBXWGDFMHO-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3ccccc3o2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCNMOBBHAMJULP-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3cc(-c4ccco4)n(C(C)(C)C)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTHINPOMRFDQJO-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3ccccc3[nH]2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRBRFWURTKUABF-UHFFFAOYSA-N", "SMILES:Cc1cccc2oc(-c3cc(-c4ccco4)n(C(C)(C)C)n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPQOPWZJXKDSKO-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3cc(-c4ccco4)n(C(C)(C)C)n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHMHUMAQOLDECO-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(-c3cc(-c4ccc[nH]4)n(C(C)(C)C)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUUXSUCQWCWIBX-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3ccccc3o2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOQJDMFUYXTXOD-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3cc(-c4ccccc4)n(C(C)(C)C)n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBFBADRZGAGZIQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3ccccc3s2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DENGDTDRYYERPC-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2nc3ccccc3s2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COEXWDFEWWLZII-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDMLYQRLSMYAKZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3cc(Cl)ccc3[nH]2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYUNVQLBUGNRZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3ccccc3[nH]2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCUZHCUWQHJKD-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(-c3cc(-c4ccccc4)n(C(C)(C)C)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKQGHZDDXKUGFV-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3cc(Cl)ccc3[nH]2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZKIYMHQHXCPFQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3cc(Br)ccc3[nH]2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDWVLWFXNQLBDU-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYIKFISRFRVGFA-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTBNMHVUUDDEMV-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3cc(F)ccc3[nH]2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUQHQWDSLWMCJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3c(Cl)cccc3[nH]2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WERPVGRJOZQUFA-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3ccccc3s2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUXKIUZJNGBDMH-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(-c3cc(-c4ccco4)n(C(C)(C)C)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGLPEQBSFWYAL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc2[nH]c(-c3cc(-c4ccco4)n(C(C)(C)C)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLURRAUAEMZZGW-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3ccccc3[nH]2)cc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPSFYTWDILDAQF-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(-c3cc(-c4ccc[nH]4)n(C(C)(C)C)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCPGDPCMRUUGGR-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3cc(Cl)ccc3[nH]2)cc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAFNAQNYJXJDPX-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2nc3cc(Cl)ccc3[nH]2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNOOTJFHFYWIMS-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3cc(-c4ccco4)n(C(C)(C)C)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUTFOEGUKXOBSQ-UHFFFAOYSA-N", "SMILES:Cc1cccc2[nH]c(-c3cc(-c4ccco4)n(C(C)(C)C)n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEBMULKEFCGWLM-APGVRMINSA-N", "SMILES:CC(C)(C)n1nc(-c2nc3cc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)ccc3[nH]2)cc1-c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZKHQRZPIQSRJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2ccccc2C2CCNCC2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHUXJSBRMDDMAI-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1ccc(Cl)cc1.Cl"]}
{"name": "Acetylcholinesterase", "xref": ["CHEMBL.TARGET:CHEMBL2046266"], "id": "UniProtKB:Q869C3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7165"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTMDCIITEAOVHI-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1cccc(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCVQOJHXEPKHLW-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1ccccc1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1202929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVSVOPOYSZEXNR-UHFFFAOYSA-N", "SMILES:COc1ccc(C2SCC(=O)N2CCCN(C)C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1202941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHKFHSQGGJTLI-UHFFFAOYSA-N", "SMILES:COc1cccc(C2SCC(=O)N2CCCN(C)C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIMJXOOJALSHDK-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1SCC(=O)N1CCCN(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1202939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMMXKEZIZIATHR-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1ccc(F)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1202933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTFITSGSNXSRL-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1cccc(F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHMXDESGWMBHBW-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1ccccc1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1202930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFOTGBNWXOQAF-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1ccncc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBQSDDIKVCZFT-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1cccnc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXKIZYBJBXKWAI-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1ccccn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEWOPWVBOZKII-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1ccc(Cl)cc1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFHYZZSQQJEUPU-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1ccc(F)cc1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOWFDHJUVKICDD-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1ccc(F)cc1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVSFDSQTKASYKB-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1cccc(F)c1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKGBMZFEPZGJD-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1cccc(Cl)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNHGEXPEYKZEPP-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1ccc2c(c1)OCO2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLIUVMEDHBLJK-UHFFFAOYSA-N", "SMILES:CN(C)CCCN1C(=O)CSC1c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTIWASVHCRBPN-UHFFFAOYSA-N", "SMILES:CC(C)NCCN1C(=O)CSC1c1ccc(Cl)cc1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDAFNBIGXKWESR-UHFFFAOYSA-N", "SMILES:Cl.O=C1CSC(c2ccc(Cl)cc2Cl)N1CCNC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXNTPMIYDEWBD-UHFFFAOYSA-N", "SMILES:CNCCCN1C(=O)CSC1c1ccc(Cl)cc1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBMUWEZSMNLUMD-UHFFFAOYSA-N", "SMILES:CNCCN1C(=O)CSC1c1ccc(Cl)cc1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMAWUPHGBKLOEK-MRUHUIDDSA-N", "SMILES:CN1C(=O)[C@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cccnc43)c2)[C@H]2C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHDTFFVGFIUKH-FQEVSTJZSA-N", "SMILES:CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cccnc43)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFBTCWSTVFCJE-ORYOOTSUSA-N", "SMILES:COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@@H](OC)/C(F)=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQIEGUTYXQCOR-SWIREPECSA-N", "SMILES:COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@](CN2CCN4CCOC[C@@H]4C2)(OC)/C(F)=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRGIAFGOQJYTKU-ZRZJLSGHSA-N", "SMILES:COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](OC)/C=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVKAMIJVSYXAQE-UHFFFAOYSA-N", "SMILES:COCCOCCn1nc(C)c2c1CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCn1c(C(=O)O)c(C)c3c-2c(Cl)ccc31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23507", "category": ["biolink:ChemicalEntity"], "name": "5-FLUOROINDOLE-2-CARBOXYLIC ACID", "xref": ["InChIKey:WTXBRZCVLDTWLP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQYSZWFFXOXER-UHFFFAOYSA-N", "SMILES:Nc1ccncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL452901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNEMMAAHBKHXLP-UHFFFAOYSA-N", "SMILES:NCCc1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPGMVFNIWHOIY-UHFFFAOYSA-N", "SMILES:Cc1c(CO)cnn1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQUNZGOZUJITBJ-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZFGOTFRPZRKDS-UHFFFAOYSA-N", "SMILES:Oc1ccc(Br)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL139288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYJXERPRICYRX-UHFFFAOYSA-N", "SMILES:NCc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCSYIGQLBKEYFG-UHFFFAOYSA-N", "SMILES:CCCc1c(-c2csc(-c3cc(C(=N)N)sc3SC)n2)cnn1-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXXIIPMHDPJVIH-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Br)c1)N1CCN(c2ccc3cnccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDCPQNMILVFQF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(c3ccc4cnccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGAIPFCRMARST-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(c3ccc4c(N)nccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIKIIUBAEILZQA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(c3ccc4c(N)nncc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJCNHAXOZJCNU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)N1CCN(c2ccc3c(N)nncc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMQUBCFIUAXDA-UHFFFAOYSA-N", "SMILES:Nc1nncc2cc(N3CCN(C(=O)c4ccccc4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIYPBGIVGIPSGY-UHFFFAOYSA-N", "SMILES:Nc1nncc2cc(N3CCN(c4ccccc4)CC3)ccc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQUSWDBXPOGBGN-UHFFFAOYSA-N", "SMILES:Nc1nncc2cc(N3CCC(c4ccccc4)CC3)ccc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLPCWDKRBKGTIZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(c2ccc3c(N)nncc3c2)CC1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJQSCUBZFQTHN-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCN(c3ccc4c(N)nncc4c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVJZPWAFJLBHR-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(c3ccc4c(N)nncc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYABEPLWGICBEL-UHFFFAOYSA-N", "SMILES:Nc1nncc2cc(N3CCN(c4cccc(F)c4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSNXTSXKJIXMV-UHFFFAOYSA-N", "SMILES:Nc1nncc2cc(N3CCN(c4cccc(Cl)c4)CC3)ccc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZFMBCPIMQDQKP-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(c3ccc4c(N)nncc4c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTSLWLMLFMDIJB-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(N2CCN(c3ccc4c(N)nncc4c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWVCLDPZBUOCNK-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccc3c(N)nncc3c2)CCN1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWVCLDPZBUOCNK-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(c2ccc3c(N)nncc3c2)CCN1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQFRFBDKPJGAGN-ZMBIFBSDSA-N", "SMILES:Cc1cc([C@H]2CN(c3ccc4c(N)nncc4c3)CCN2c2cccc(F)c2)no1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXAFDSAENALNGM-HXUWFJFHSA-N", "SMILES:Cc1cc([C@H]2CN(c3cc(F)c4c(N)nncc4c3)CCN2c2cccc(F)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRDUGXOWVXZLL-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNKHVNYLFHHTSJ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYEJDVPGYUELCG-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWORZLFRUAXLD-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cnc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRVJUYNEGVFBB-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)COC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKATZDAMIZYNB-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CSC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOFIBVVRTVDDTA-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CC(F)(F)C3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUMWUGIZWNDWBG-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(N)=O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSUASWNEEUYVRO-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)NO)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEHKMMPAKZUAK-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)N(C)O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKNEBRXQLZHFQ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1ccccc1-c1cc(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGMZLBPGQUKIFR-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1nc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBGXURTWNBVHO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWROMNZPDNHNMW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVZMDIYCVQQNSC-UHFFFAOYSA-N", "SMILES:O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3cccc4ocnc34)cc2F)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZYEQBMAJGPCE-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDRWIXDNLVOON-UHFFFAOYSA-N", "SMILES:CC(C)COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLJAAWPTYZNPTG-UHFFFAOYSA-N", "SMILES:CCCCOc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNVBWUONVRXJD-UHFFFAOYSA-N", "SMILES:COCCOc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJWDBSVEVFQDP-UHFFFAOYSA-N", "SMILES:C#CCOc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLYJCOYTQGYKGO-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPNQPWLCPJPZCG-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c3c2CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBGIXWSSHQOAT-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)NOC)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJONDDPYRHMQEM-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)NC#N)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URHRIFUMIBUHCE-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)NS(C)(=O)=O)CCC3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVEVOABXVBVLMP-UHFFFAOYSA-N", "SMILES:O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3cccc4c3OCO4)cc2F)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVNMIXFWKEYQJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(C)cc(C)c2)C(c2ccc(N(C)C)cc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOSIJVVNNGXEKE-INIZCTEOSA-N", "SMILES:O=C(O)C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRETYRXSLHIQPL-KRWDZBQOSA-N", "SMILES:Cc1cccc(CC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)Cc2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYVOMOHKUGEAT-INIZCTEOSA-N", "SMILES:O=C(Cc1ccccc1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIEXGTLOCCMOJD-MYJWUSKBSA-N", "SMILES:O=C(N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1)C1Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYYADRNGSVFWIJ-INIZCTEOSA-N", "SMILES:O=C(Cc1cccc(F)c1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZDXCGUYFFYSCH-INIZCTEOSA-N", "SMILES:O=C(Cc1cccc(F)c1)N[C@@H](Cc1ccccc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWZOEHNBVDLVSN-INIZCTEOSA-N", "SMILES:O=C(Cc1cccc(Cl)c1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJWVWHCTRIWRTC-QGZVFWFLSA-N", "SMILES:O=C(Cc1cccc(Cl)c1)N[C@H](CCc1nnn[nH]1)Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQRYZPXZXYWEJJ-INIZCTEOSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMZXZUKOUUXTMT-INIZCTEOSA-N", "SMILES:O=C(Cc1cccc(Br)c1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGEALSDFFYSMRL-INIZCTEOSA-N", "SMILES:O=C(Cc1cccc(I)c1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNHKPFQDOZLOPT-INIZCTEOSA-N", "SMILES:O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDCDPOCMYEPIT-KRWDZBQOSA-N", "SMILES:CCOc1cccc(CC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)Cc2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYUXOPJSJUQCGJ-HNNXBMFYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEFKBFFAZWZBQC-HNNXBMFYSA-N", "SMILES:O=C(CC1CCCC1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSZLAFAWDKRXIU-AWEZNQCLSA-N", "SMILES:CCCCCC(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBCTSJJLJYOTH-KRWDZBQOSA-N", "SMILES:O=C(CCc1ccccc1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZGUEQOUMLPGS-HNNXBMFYSA-N", "SMILES:O=C(Cc1ccccn1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBFBKAFBVSPFS-HNNXBMFYSA-N", "SMILES:O=C(Cc1cccnc1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTBJNQADVKEYEQ-HNNXBMFYSA-N", "SMILES:O=C(Cc1ccncc1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSAQUJQXHBENL-AWEZNQCLSA-N", "SMILES:O=C(Cc1ccc(Cl)nc1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHZCSVPCMGPDII-HNNXBMFYSA-N", "SMILES:O=C(Cc1cncc(Br)c1)N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFMDUVFVMUUFKZ-INIZCTEOSA-N", "SMILES:COc1cccc(CC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)Cc2nnn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZSBPWUMWZBDC-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCCOc3ccc4c(c3)NC(=O)CC4)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBDIXZOHZUWSDY-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCCOc3ccc4ccc(=O)[nH]c4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQQFCSDLTVNFZ-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(CNCCCCOc3ccc4c(c3)NC(=O)CC4)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTWUXLPDTJVXKK-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(CNCCCCOc3ccc4ccc(=O)[nH]c4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGAQLIHLZSUNB-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(OCCCCNCc3cc4ccccc4o3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXGRVDCIOTDGI-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCCCCNCc3cc4ccccc4o3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQHGUIVIAMHZIK-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCOc3ccc4c(c3)NC(=O)CC4)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDJMCCCOMZTOG-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCOc3ccc4ccc(=O)[nH]c4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPJWEGAZJREYOD-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCCCOc3ccc4c(c3)NC(=O)CC4)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWNTAYRFVUXFS-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCCCOc3ccc4ccc(=O)[nH]c4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXIWPRAOWYSIRG-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCCOc3ccc4scnc4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGGRIOZZIZJAJ-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCCOc3ccc4c(c3)OCO4)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJQGXSIIXMKXJC-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCCOc3ccc4ccc(=O)oc4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDQKZXAVLFVAU-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCCOc3ccc4oc(C)nc4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMEQJDULYLZBGI-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CNCCCCOc3ccc4c(C)noc4c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJMNBNCGYUOWKZ-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(CN(C)CCCCOc3ccc4c(c3)NC(=O)CC4)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUDXOWVJXPKQPQ-UHFFFAOYSA-N", "SMILES:CCCN(CCCCOc1ccc2c(c1)NC(=O)CC2)Cc1cc2cccc(OCC)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIOWIQVPCVZKOF-SAABIXHNSA-N", "SMILES:CCOc1cccc2cc(CNCC[C@H]3CC[C@H](NC(=O)N(C)C)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUESZLYKNLHINT-KESTWPANSA-N", "SMILES:CCOc1cccc2cc(CNCC[C@H]3CC[C@H](NC(=O)N4CCCC4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFNMOVNQSHFOR-RUCARUNLSA-N", "SMILES:CCOc1cccc2cc(CNCC[C@H]3CC[C@H](NC(=O)C4CC4)CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPRWOMWIVQZEC-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(CNCCCCOc3ccc4ccc(=O)[nH]c4c3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKJHTKJCOHWEQH-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(CNCCCOc3ccc4ccc(=O)[nH]c4c3)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXKQMRWGFVRLJB-UHFFFAOYSA-N", "SMILES:CCOc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)[nH]c2c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPJYOLLZGXNFY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)[nH]c2c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULYBTXJNQXAQFS-UHFFFAOYSA-N", "SMILES:COc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)[nH]c2c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGXXGOWEGSYJJ-UHFFFAOYSA-N", "SMILES:COc1cccc2c3c(oc12)CN(CCCCOc1ccc2c(c1)NC(=O)CC2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZOKZKSSRCUZTF-UHFFFAOYSA-N", "SMILES:COc1cccc2c3c(oc12)CN(CCCCOc1ccc2c(c1)NC(=O)C2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKQEPYQSOGOII-UHFFFAOYSA-N", "SMILES:COc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)n(C)c2c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POMINEPWKCOIMS-UHFFFAOYSA-N", "SMILES:COc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)oc2c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUCLHFXODHNCM-UHFFFAOYSA-N", "SMILES:COc1cccc2c3c(oc12)CN(CCCCOc1ccc2cccnc2c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQNGSWXFQVJFJ-UHFFFAOYSA-N", "SMILES:COc1cccc2c3c(oc12)CN(CCCCOc1ccc2scnc2c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBACXRLOMHPKDF-UHFFFAOYSA-N", "SMILES:COc1cccc2c3c(oc12)CN(CCCOc1ccc2c(c1)NC(=O)CC2)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKKRYKOGQANCZ-UHFFFAOYSA-N", "SMILES:COc1cccc2c3c(oc12)CN(CCCOc1ccc2ccc(=O)[nH]c2c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OILMBPPIBYTUES-NSCUHMNNSA-N", "SMILES:COc1cccc2c3c(oc12)CN(C/C=C/COc1ccc2ccc(=O)[nH]c2c1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNGXTAXKYWLURT-UHFFFAOYSA-N", "SMILES:CCOc1cccc2cc(C(C)NCC3(O)CCCCC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMBFFBOMUBIJGL-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)nnn1Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAHZEAYOPAANMH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C(=O)C(F)(F)F)cc(S(=O)(=O)Nc3cccc(NCCNC(=O)c4cccc(C)c4)c3)c-2cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTGVUKNBDJDDM-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)NCCNc2cccc(NS(=O)(=O)c3cc(C(=O)N(C)C)c4ccc(C(=O)N(C)C)ccc3-4)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWYFITISVGICNY-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)NCCN(C(=O)C(F)(F)F)c2cccc(NS(=O)(=O)c3cc(C(=O)N(C)C)c4ccc(C(=O)N(C)C)ccc3-4)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRVLBIVORZLIC-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C(=O)N(C)C)cc(S(=O)(=O)Nc3cccc(NCCNC(=O)c4cccc(C)c4)c3)c-2cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNJBMWPHUOEDEV-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCC(O)CNCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUIJQYGDXHLXRX-IBGZPJMESA-N", "SMILES:O=C(NC[C@@H](O)CNCC1CCCCCC1)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUIJQYGDXHLXRX-LJQANCHMSA-N", "SMILES:O=C(NC[C@H](O)CNCC1CCCCCC1)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQMGLKSUJYABY-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCC(O)CNCC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUIJQYGDXHLXRX-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCC1CCCCCC1)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPQHOKGAAYIRGX-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCC(O)CNCCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVGMIWGWMUMSPB-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCCC1CCCCC1)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATUGFFSYSMJLEW-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCC(O)CNC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFEOJMYEZXUOEF-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNC1CCCCC1)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJLYBCQWDISHDF-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCC(O)CNCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLOKXELXZVGWCC-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCC1CCCCC1)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPIFPHSLDUMHCD-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCC(O)CNCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTCRVUSVEFVGSO-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCC1CCCC1)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBPAWVXUOAZNU-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCC1CC1)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCKJZUAWWIZCR-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCC(F)(F)F)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLZYKJIUMVXNHM-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNCC(O)CNC(=O)CC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLLFMPECLTWAW-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNCC(O)CNC(=O)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXJOFZHUHHUOW-UHFFFAOYSA-N", "SMILES:O=C(CC1c2ccccc2-c2ccccc21)NCC(O)CNCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGHIUYPTJZGFB-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CNCc1ccccc1)C1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1795523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQOKDEZVBWJKGR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(COc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL359819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMZATGDOYWHQS-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(F)cc2)oc2c1ccc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLJKVUBWFWJHH-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1cccs1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1684780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKCKPMGEHGPOCG-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccco2)CC1c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPNYLJMJDIVDZ-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(OCC(C)(C)C)c(C#N)c2)n(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVFHRQWYCXYYMU-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKWHZLOVLHDGAC-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFXKLJIESDQFJ-UHFFFAOYSA-N", "SMILES:O=C(O)CC(c1ccc(-c2ccccc2)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTHHQAVYYHNLQC-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOIUQBXJWBYXBX-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccccc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKWZNRGPKNQKNO-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccccc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFWKBSMPLZHHR-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOXWHIKIBALOFL-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUJWORLCILUCPI-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKYFIVNPRVSJV-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc3occc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULDHKONUADWMSO-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc3c(c2)CCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSYGMMICUIDPC-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc3cc(OC)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYIOQWBLJQVKT-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc3ccc(OC)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDAHBBYQOPHNSP-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc3ncsc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJSOKPJKPQZFGK-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc3scnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHHTFBTOUJBQB-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(OC)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRUKVHUMWVFZMI-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCISIEBJVDFBES-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBZOYQAOGYMDB-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBXSZOUAWTPRW-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOAJZKAULIQMKM-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2cccc(OCC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCAWBJXIURPGLM-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2cccc(N(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYCEEZFMCMXIP-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2cccc(N3CCCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONILCCVAIPYGNI-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCARDOAEQSVNOC-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFPNEBYEAGGIPJ-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDNVCXBCAZBJY-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(C(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBZLZAAPHPCTOB-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(C3CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNPRSQRWQJKGV-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRJLAVFYNSEJGN-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQANCBYUOQJXBC-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOEVCIXXNMNTKN-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(OC)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFPOEOIGZJFKMH-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(N(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRSBZQSCGLCAMN-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEINKSXCXDJITR-UHFFFAOYSA-N", "SMILES:CC#CC(CC(=O)O)c1ccc(-c2ccc(Cl)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFPNEBYEAGGIPJ-INIZCTEOSA-N", "SMILES:CC#C[C@@H](CC(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFPNEBYEAGGIPJ-MRXNPFEDSA-N", "SMILES:CC#C[C@H](CC(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZDNHCOKONAHO-SFHVURJKSA-N", "SMILES:O=C(C1CC1)N1CCC[C@H](Nc2nccc(-n3c(-c4ccc5c(c4)OCCO5)nc4cc(O)c(O)cc43)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGICVDGDWJJCIH-OAHLLOKOSA-N", "SMILES:NC(=O)N1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVUITGIIKADDAF-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc3c(c2)OCO3)n1-c1ccnc(NC2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHWROBLEMLUTAG-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc3ccccc3n2)n1-c1ccnc(NC2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHKJAZRLNYDCD-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(NC2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLBWDBPHKABVBE-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc(Cl)c(Cl)c2)n1-c1ccnc(NC2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUAMEPWGALLEMV-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc(F)c(C(F)(F)F)c2)n1-c1ccnc(NC2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUMROLKEGKJMS-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc3c(c2)OCO3)n1-c1ccnc(NC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHHPSNLVCWQPB-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc3c(c2)OCCO3)n1-c1ccnc(NC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLZMTDDJPNXPU-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(NC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGWZSUMBRCSBJL-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc(Cl)c(Cl)c2)n1-c1ccnc(NC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPOJSVNSFFFPM-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc(F)c(C(F)(F)F)c2)n1-c1ccnc(NC2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAHBVVGCFLNSRU-CYBMUJFWSA-N", "SMILES:C[C@@H](O)CNc1nccc(-n2c(CC#N)cnc2-c2ccc3c(c2)OCCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DILISPNYIVRDBP-OAHLLOKOSA-N", "SMILES:C[C@@H](O)CNc1nccc(-n2c(CC#N)cnc2-c2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSORSZACHCNXSJ-LLVKDONJSA-N", "SMILES:C[C@@H](O)CNc1nccc(-n2c(CC#N)cnc2-c2ccc(Cl)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDPNNXAZURUGP-AWEZNQCLSA-N", "SMILES:N#CCc1cnc(-c2ccc(Cl)c(Cl)c2)n1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJIKEHGGMHYXFN-PELRDEGISA-N", "SMILES:N#CCc1cnc(C2=CC3OCOC3C=C2)n1-c1ccnc(N[C@H]2CCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXKVTIVNJHHRW-KPQWGBOZSA-N", "SMILES:N#CCc1cnc(C2=CC3OCCOC3C=C2)n1-c1ccnc(N[C@H]2CCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIPVVLKTCCGPA-FQEVSTJZSA-N", "SMILES:N#CCc1cnc(-c2ccc3ccccc3n2)n1-c1ccnc(N[C@H]2CCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJXRSXZOCDBEA-KRWDZBQOSA-N", "SMILES:N#CCc1cnc(-c2ccc(Cl)c(Cl)c2)n1-c1ccnc(N[C@H]2CCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJPALGZWXBOKQ-KRWDZBQOSA-N", "SMILES:N#CCc1cnc(-c2ccc(F)c(C(F)(F)F)c2)n1-c1ccnc(N[C@H]2CCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIFPZJRPCSILQA-HSZRJFAPSA-N", "SMILES:N#CCc1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(N[C@@H]2CCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBROFJFJPQJMEQ-DEOSSOPVSA-N", "SMILES:N#CCc1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(N[C@H]2CCCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBEPMOZEXLGCTF-FQEVSTJZSA-N", "SMILES:N#CCc1cnc(-c2ccc3occc3c2)n1-c1ccnc(N[C@H]2CCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBQOEJUXLTCGJ-FQEVSTJZSA-N", "SMILES:N#CCc1cnc(-c2ccc3c(c2)CCO3)n1-c1ccnc(N[C@H]2CCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYSNKSNKMMPMB-UHFFFAOYSA-N", "SMILES:N#CCc1cnc(-c2ccc3ccccc3c2)n1-c1ccnc(Nc2cccc(C(=O)C3CC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDDBBDCWPLOFR-KRWDZBQOSA-N", "SMILES:N#CCc1cnc(-c2ccc(Cl)c(Cl)c2)n1-c1ccnc(N[C@H]2CCCN(C(=O)NC3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNUIJDUIEIJBJM-KRWDZBQOSA-N", "SMILES:CC(C)(C)C(=O)N1CCC[C@H](Nc2nccc(-n3c(CC#N)cnc3-c3ccc(Cl)c(Cl)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMPRSZTUSSXND-UHFFFAOYSA-N", "SMILES:CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N"]}
{"name": "MAPK/MAK/MRK overlapping kinase", "xref": ["CHEMBL.TARGET:CHEMBL4295983"], "id": "UniProtKB:Q9UQ07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5194526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPSAXAVKGQEJQO-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OCc4ccc(C(C)C)cc4)c3c[n+]1CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDFWYFAYRTEHX-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OCc4cccc(C)c4)c3c[n+]1CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5188565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMIONXCBVUBOEF-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OCC4CCCC4)c3c[n+]1CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGBTXCFLWBOQN-UHFFFAOYSA-M", "SMILES:CCCCCCCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc(OC)c(OC)cc1-3.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBPLFSQEIACXQZ-UHFFFAOYSA-M", "SMILES:CCCCCCCCCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc(OC)c(OC)cc1-3.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXXOCQZHPVEQS-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OCCc4ccc(C(F)(F)F)cc4)c3c[n+]1CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTPXPWWMFYYLL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc3ccc(OC)c(NCc4ccc(C)cc4)c3c[n+]1CC2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHYJTPWLBPPOO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1cc3ccc(OC)c(NCc4ccc(Cl)cc4)c3c[n+]1CC2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSPLTTCTIJODGJ-UHFFFAOYSA-N", "SMILES:CCCCCCNc1c(OC)ccc2cc3[n+](cc12)CCc1cc(OC)c(OC)cc1-3.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMQDXHZVCDMJGP-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)-c1c(Cc3ccccc3C)c3ccc(OC)c(OC)c3c[n+]1CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANXJUCSJZLKCE-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)-c1c(Cc3ccc(C(C)C)cc3)c3ccc(OC)c(OC)c3c[n+]1CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKOBAYOSZAAJQ-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)-c1c(Cc3cccc(Br)c3)c3ccc(OC)c(OC)c3c[n+]1CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXKIECLLPZWBW-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)-c1c(Cc3ccc(Br)cc3)c3ccc(OC)c(OC)c3c[n+]1CC2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSGLRMCIIGRRLV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(-n4nc(N)c5ccccc54)c4cc[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIYYCFFRZUBVQZ-UHFFFAOYSA-N", "SMILES:c1cc2c(ccn2-c2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAGPBVSRZRPYJN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(-n2ccc3cnccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBCYZNNKCSGGML-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCWGVWPUYKTBY-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2nc(Nc3ccccc3F)nc3[nH]ccc23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJXEXFALAGAAG-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(-n2ccc3ccccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVHMZCPRKKBCOA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(-n4ccc5ccccc54)c4cc[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLNCUGPIWMFZPV-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nc(-n2nc(N)c3ccccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXRJDLLLDVTTB-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)ncn2-c1nc(Nc2ccc(N3CCOCC3)cc2)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNWHDRMKDXJVGR-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2nc(Nc3ccccc3OC(F)(F)F)nc3[nH]ccc23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZRCDWWGYUOOJY-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2nc(Nc3ccccc3)nc3[nH]ccc23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWICPVHVGASICO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(-n2cnc3ccccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRFIGMHHBGGMML-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)ccn2-c1nc(Nc2ccc(N3CCOCC3)cc2)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVJCSDHDWQTEK-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]ccc23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSTSQMPETZRBAE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(-n4nc(N)c5ccccc54)c4cc[nH]c4n3)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIRYNZJGRHXCGJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(-n4ccc5cnccc54)c4cc[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEKCMGQGGCZAX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(-n4cnc5ccccc54)c4cc[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBSSUWJULKFGFY-UHFFFAOYSA-N", "SMILES:Nc1nn(-c2nc(Nc3ccccc3Cl)nc3[nH]ccc23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUACRFGWHXJVGX-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDOIPXIBXHJFLO-UHFFFAOYSA-N", "SMILES:CCc1ccccc1Nc1nc(-n2nc(N)c3ccccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNBKXWAICUKOY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(-n4nc(N)c5ccccc54)c4cc[nH]c4n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMVROOXJFUBPO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1nc(-n2nc(N)c3ccccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZEUXDKHAYSVEG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(-c4cnn(C)c4)c4cc[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIBBLDHSOZFJLV-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3nc(-n4nc(N)c5ccccc54)c4cc[nH]c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYYPPXJMUVKPTI-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C)CC2)ccc1Nc1nc(-n2nc(N)c3ccccc32)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYJCFRMVBBVMR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(O)cc1)Nc1nnc(CCCNc2nonc2/C(=N\\O)Nc2ccc(F)c(Br)c2)s1"]}
{"name": "Thioredoxin reductase 1, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL5465360"], "id": "UniProtKB:Q9JMH6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFCLMRNBQINOPU-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCCNc2nonc2/C(=N\\O)NCCc2ccc(Br)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMNPGQSOKSNERU-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCCNc2nonc2/C(=N\\O)NCCc2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBDBKKOQUALNLD-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCNc2nonc2/C(=N\\O)NCCc2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLRNZXAXXURYQD-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(O)cc1)Nc1nnc(CCCNc2nonc2/C(=N\\O)NCCc2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPOMOQDJBQTHGF-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCNc2nonc2/C(=N\\O)NCCc2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEVKSBYHGLCEPT-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(O)cc1)Nc1nnc(CCCNc2nonc2/C(=N\\O)NCCc2ccc(Br)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWXBUBHALRMVNJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1nnc(CCCNc2nonc2/C(=N\\O)Nc2ccc(F)c(Br)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBPCGLXMRQYGNI-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(O)cc1)Nc1nnc(CCCNc2nonc2/C(=N\\O)NCCc2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOIKJXDOCRFAZ-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCCNc2nonc2/C(=N\\O)Nc2ccc(F)c(Br)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHANRRAMCXJVLJ-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccccc3c(=O)n2C2C=CC([N+](=O)O)=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBRGLEAUIBFXER-UHFFFAOYSA-N", "SMILES:CN1CCN(CCc2ccc3nc4n(c(=O)c3c2)C2C=CC(F)=CC2C4=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWATHCGIUHRHB-UHFFFAOYSA-N", "SMILES:CN(C)CCc1ccc2nc3n(c(=O)c2c1)C1C=CC(F)=CC1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQGUFLCBNFCHE-UHFFFAOYSA-N", "SMILES:O=C1c2nc3ccc(CCN4CCOCC4)cc3c(=O)n2C2C=CC(F)=CC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIGOGALLRVWANF-CCAROEGRSA-N", "SMILES:O=C1c2ccccc2N[C@H]2[C@H](O)C3C=C(F)C=CC3N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRZECWDORAZCN-XBXARRHUSA-N", "SMILES:CCOC(=O)/C=C/c1ccc2nc3n(c(=O)c2c1)C1C=CC(F)=CC1C3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFPKSIKGKXJFW-UHFFFAOYSA-N", "SMILES:O=C(N1CCN(c2cc(Cl)ccc2O)CC1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNWNZTLWPJKTEO-UHFFFAOYSA-N", "SMILES:Nc1ccc(Cl)cc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGUGFMHBMRWVHO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-n2ccnc2)nc2ccc(Br)cc2c1N1CCN(c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMIJPUYMIFBNCV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-n2ccnc2)nc2ccc(Br)cc2c1N1CCN(c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FECKGRNJWCNPSV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-n2ccnc2)nc2ccc(Br)cc2c1N1CCN(c2ccccc2NS(=O)(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTWIRWVNYBTFDJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-n2ccnc2)nc2ccc(Br)cc2c1N1CCN(c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL111038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKFTSMPIIYOBX-UHFFFAOYSA-N", "SMILES:COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL248392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHWFEYYJOLZGNB-XUZZJYLKSA-N", "SMILES:COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3613691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMDDILOQKYWRNN-LHHJGKSTSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)c2ccc3ncc(C(N)=O)c(Nc4ccc(Cl)cc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXWIPBLBSYXVOW-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc3ncc(C(N)=O)c(Nc4cccc(Br)c4)c3c2)csc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSTUMPRABGRUGL-LFYBBSHMSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc4cc5cc(C)ccc5nc4s3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUNJKZGKXZYCK-NSCUHMNNSA-N", "SMILES:Cc1cc(O)c(C(=O)/C=C/c2ccnc(F)c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSBPEMYSEGRXDP-NSCUHMNNSA-N", "SMILES:Cc1cc(O)c(C(=O)/C=C/c2ccncc2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKLBYRFEFHWRDA-RZUSFDEGSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEWBSJTXVXLCAY-ZVAWYAOSSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXQDTTHBQYQAML-LYKKTTPLSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMTMKDYFYPOURD-DJNXLDHESA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEWBSJTXVXLCAY-QRWMCTBCSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXQDTTHBQYQAML-OEMAIJDKSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMTMKDYFYPOURD-ZYMOGRSISA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJDOTNDYLDZVQF-GGYWPGCISA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYYEKJWALXUHB-DJNXLDHESA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLUZWUITPRGWCU-ZVAWYAOSSA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJDOTNDYLDZVQF-MUMRKEEXSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYYEKJWALXUHB-ZYMOGRSISA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLUZWUITPRGWCU-QRWMCTBCSA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEGMIRDEVYCIQA-ZVAWYAOSSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBPCHHCRWJKFEW-LYKKTTPLSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIMCQNUPFHNLK-DJNXLDHESA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEGMIRDEVYCIQA-QRWMCTBCSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBPCHHCRWJKFEW-OEMAIJDKSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIMCQNUPFHNLK-ZYMOGRSISA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBLRTCRXZETHI-GGYWPGCISA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKHLHLAXBRMALM-DJNXLDHESA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDAMBQMCWSCLEM-ZVAWYAOSSA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWBLRTCRXZETHI-MUMRKEEXSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKHLHLAXBRMALM-ZYMOGRSISA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDAMBQMCWSCLEM-QRWMCTBCSA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWMSFDMVSCIHAH-LBAQZLPGSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4c(c3)CCO4)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SENNPTARPYDLDL-GGYWPGCISA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4c(c3)CCO4)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWMSFDMVSCIHAH-BPGUCPLFSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4c(c3)CCO4)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SENNPTARPYDLDL-MUMRKEEXSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4c(c3)CCO4)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSDKELMOZIECC-CGAIIQECSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIJMACARAIRPNI-KEKNWZKVSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSDKELMOZIECC-XMMISQBUSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIJMACARAIRPNI-FOIFJWKZSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYOIXNBCYRZBZ-BBMPLOMVSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPUSWRDJKBKBRX-WCSIJFPASA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSVFDMDYNXAZHL-CGAIIQECSA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYOIXNBCYRZBZ-WUBHUQEYSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPUSWRDJKBKBRX-OZAIVSQSSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSVFDMDYNXAZHL-XMMISQBUSA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBAKKFIGMZCDD-GGYWPGCISA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4c(c3)OCO4)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTKZVRGBBRJGKS-DJNXLDHESA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4c(c3)OCO4)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHQZAFCOCGENSL-ZVAWYAOSSA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc4c(c3)OCO4)n(-c3ccnc(N[C@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBAKKFIGMZCDD-MUMRKEEXSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4c(c3)OCO4)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTKZVRGBBRJGKS-ZYMOGRSISA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4c(c3)OCO4)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHQZAFCOCGENSL-QRWMCTBCSA-N", "SMILES:CNC(=O)C1Cc2nc(-c3ccc4c(c3)OCO4)n(-c3ccnc(N[C@@H]4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENOAQSVDGOFKK-ANYOKISRSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4c(c3)OCO4)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUZKAZXBJGHDQU-ZVAWYAOSSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4c(c3)OCO4)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENOAQSVDGOFKK-GFOWMXPYSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4c(c3)OCO4)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUZKAZXBJGHDQU-QRWMCTBCSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4c(c3)OCO4)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHCAWSLJCINNX-KEKNWZKVSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4c(c3)CCO4)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZYKDWHVGAGCG-ANYOKISRSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4c(c3)CCO4)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHCAWSLJCINNX-FOIFJWKZSA-N", "SMILES:CCOC(=O)C1Cc2nc(-c3ccc4c(c3)CCO4)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZYKDWHVGAGCG-GFOWMXPYSA-N", "SMILES:NC(=O)C1Cc2nc(-c3ccc4c(c3)CCO4)n(-c3ccnc(N[C@@H]4CCCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCSKCYFFHLJNOD-AWYDNWMNSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c2cc(-c2cccc4cccc(C)c24)n3C)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL228451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMAEJPLJSUBML-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHBVFMCIJLUJX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTIKNEDTBKGWDO-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRYYGVYCWYIDQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL226724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYBFXREOYZBSZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2cc(Oc3ccc4cccnc4c3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIYARYDACMXWNW-SFHVURJKSA-N", "SMILES:O=C(Nc1cccc2cnccc12)N1CCC[C@H]1CNc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4108952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVBUDHKIZVCPH-MRXNPFEDSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncc([C@H](O)CO)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXMGVCFIOZTBP-QGZVFWFLSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc([C@H](O)CO)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGNKXCEPARJDI-ZDUSSCGKSA-N", "SMILES:C[C@H](NC(=O)Cn1cnc2ccc(F)c(F)c21)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGJZDSUJSPAJL-YPUOHESYSA-N", "SMILES:CCCc1nc(C(F)(F)F)ccc1/C=C/C(=O)N[C@H](C)c1cc(F)c(NS(C)(=O)=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4112578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMWVHVOIXZOJTJ-OAHLLOKOSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cn1)N1CC=C(c2ncc([C@H](O)CO)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPXRFIBKKSHGY-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPIIDJKIACQNI-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMOCCFHENULPF-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(=S)n(-c3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGIRBFOPCMCCP-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cl)cc(Cl)c2[nH]c(=S)n1-c1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRTYRDXXAQUOGU-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGEMVRMLECGIRY-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONQMJWZMRYATGH-UHFFFAOYSA-N", "SMILES:CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQYAVMYYUMSGCM-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLYHIDVGVEZLG-UHFFFAOYSA-N", "SMILES:NNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCCCC3)cc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKPFVZFVVNMHRG-UHFFFAOYSA-N", "SMILES:NNC(=O)c1cccc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLXBHQHDDCMMHP-UHFFFAOYSA-N", "SMILES:NNC(=O)c1ccc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMIOVTOIMXTDGQ-UHFFFAOYSA-N", "SMILES:NNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRPNLHJLUUEZMX-UHFFFAOYSA-N", "SMILES:NNC(=O)c1cccc(Nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKCRWASQQAZWLK-UHFFFAOYSA-N", "SMILES:NNC(=O)c1ccc(Nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGPNQCUHKOUGKG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccccc4C(=O)NN)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNWFOJPTNNDTJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(F)c(Nc4cccc(C(=O)NN)c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEZSQGFTUWHLT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)NN)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRPGMEKQUGBCHH-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccccc4C(=O)NN)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIYYWYHNMDTKEC-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc(F)c(Nc4cccc(C(=O)NN)c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXMQRZWDZFADQF-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)NN)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHCEXUESHXAHD-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(F)c(Nc2ccccc2C(=O)NN)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGDUPWSCSAXEM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(F)c(Nc2ccc(C(=O)NN)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBFOVFFAPNQASY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccccc4C(=O)NN)n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNUHPIPDZHAUBB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(F)c(Nc4cccc(C(=O)NN)c4)n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXVCYSBUVCDTR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)NN)cc4)n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCZNJSZKSDMTRI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(F)c(Nc2cccc(C(=O)NN)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXLHBCSVDDTIX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)ccn1"]}
{"name": "Phosphoserine phosphatase SerB2", "xref": ["CHEMBL.TARGET:CHEMBL5465371"], "id": "UniProtKB:O53289", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL924", "category": ["biolink:ChemicalEntity"], "name": "ZOLEDRONIC ACID ANHYDROUS", "xref": ["InChIKey:XRASPMIURGNCCH-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O"], "synonym": ["Anhydrous zoledronic acid", "Zoledronate", "Zoledronic acid anhydrous"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5418246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPGEWSKXZZHCC-UHFFFAOYSA-N", "SMILES:O=C(NO)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL230951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBOQYPQEPHKASR-VKHMYHEASA-N", "SMILES:N[C@@H](CCS(=O)(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL289058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELJNDWGTWHHFA-UHFFFAOYSA-N", "SMILES:CCC(N)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZQTIFGANBTNF-UHFFFAOYSA-N", "SMILES:NCCCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHACTBVJLNRYNH-NTUHNPAUSA-N", "SMILES:Nc1ccc2c(c1)NC(=O)/C2=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YILTUWKDVMACDH-UKTHLTGXSA-N", "SMILES:O=C1Nc2ccccc2/C1=C\\c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNUIAAXKWFJQHC-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)NC(=O)C2Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBFWXDZJHAWYKE-RIYZIHGNSA-N", "SMILES:COC(=O)c1ccc(/C=C2/C(=O)Nc3cc(N)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVYRIDIODQDKPX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cc2coc3cc(O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPSKLFWGMXKJLX-RIYZIHGNSA-N", "SMILES:CN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)c2ccc(N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLTICMOXDOPWRP-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc2occ(Cc3ccc(C(=O)O)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIYXEVFXCPXAIH-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(N2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL401989", "category": ["biolink:ChemicalEntity"], "name": "ERASTIN", "xref": ["InChIKey:BKQFRNYHFIQEKN-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYCSRUVPJUYDGP-OAQYLSRUSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCN(c4ccc5ncc(-c6ccccn6)n5n4)C3)cc2C(F)(F)F)CC1"]}
{"name": "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-1", "xref": ["CHEMBL.TARGET:CHEMBL5465336"], "id": "UniProtKB:Q8R3B1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WABINVADIAZJHY-JOCHJYFZSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCN(c4ccc5ncc(-c6cccnc6)n5n4)C3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQUDPSQQOFAWOC-GOSISDBHSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCN(c4ccc5nccn5n4)C3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULRLUZBOZERKQ-OAQYLSRUSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCN(c4ccc5ncc(-c6cnn(CCO)c6)n5n4)C3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSJERWBWSRHJA-LJQANCHMSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCN(c4ccc5ncc(-c6cn[nH]c6)n5n4)C3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEHIDXMRYPIDIV-HSZRJFAPSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCN(c4ccc5ncc(-c6cnn(C7CCOCC7)c6)n5n4)C3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZRNUYGVNUMRW-OAQYLSRUSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCN(c4ccc5ncc(-c6ccc(N)nc6)n5n4)C3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAILKVZLYWOKPO-OAQYLSRUSA-N", "SMILES:CN1CCN(Cc2cc(NC(=O)[C@@H]3CCN(c4ccc5ncc(-c6ccccn6)n5n4)C3)cc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAILKVZLYWOKPO-NRFANRHFSA-N", "SMILES:CN1CCN(Cc2cc(NC(=O)[C@H]3CCN(c4ccc5ncc(-c6ccccn6)n5n4)C3)cc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCEDODRINHMTIB-GOSISDBHSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)[C@@H]3CCN(c4ccc5ncc(-c6ccccn6)n5n4)C3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKJRKNZBCCOIFV-OAHLLOKOSA-N", "SMILES:O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCN(c2ccc3ncc(-c4ccccn4)n3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOWCNQWYMMKNHJ-CQSZACIVSA-N", "SMILES:Cc1conc1NC(=O)N[C@@H]1CCN(c2ccc3ncc(-c4ccccn4)n3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCAGACSPMHHFKN-UHFFFAOYSA-N", "SMILES:Nc1ccc(Oc2ncccc2-c2ccnc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWQJZQJTBAZQRD-UHFFFAOYSA-N", "SMILES:Nc1cccc(Oc2ncccc2-c2ccnc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUHUSUZPGWUDFY-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2ncccc2-c2ccnc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEZRPRSHDPEVHX-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(Oc2ncccc2-c2ccnc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMAFECLUIOLWAT-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OC)cc(Oc2ncccc2-c2ccnc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNQWZXOWZFIESZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ncccc2-c2ccnc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIZQEMEXFHDGO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ncccc2-c2ccnc(N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPMJIBMRXMWLI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ncccc2-c2cccc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMOPNGCZZOSSP-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ncccc2-c2ccncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOKZGVVQVDWGKK-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ncccc2-c2ccnc(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRPVLWHAURVCC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ncccc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQLFYFYYSODRBM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ncccc2-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKYHLXGOAJAITL-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ncccc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYGYVYKWSEPPX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ncccc2-c2ccnc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTGXVWGLSLZTPD-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(Oc2ncccc2-c2ccnc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IITXEOWFZXUWOD-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(OC)cc(Oc2ncccc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHFLIRJTVDFWDN-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ncccc2-c2ccncc2)cc(C(=O)N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYSLBPFUOOVKC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(OC)cc(Oc2ncccc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDCWBRGBRTRLW-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)=O)cc(Oc2ncccc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGCYOPICXWRZRE-UHFFFAOYSA-N", "SMILES:COc1cc(Oc2ncccc2-c2ccncc2)cc(-c2nc(C)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBFJZAXIOHFOU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(OC)cc(Oc2ncccc2-c2ccnc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEFLEIEQJVJNM-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)=O)cc(Oc2ncccc2-c2ccnc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLUIULGTDHQRT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(OC)cc(Oc2ncccc2-c2ccnc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRZODACBVZEHQR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(C)=O)cc(Oc2ncccc2-c2ccnc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVMJCTQSUKIXBG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ncccc2-c2ccnc(OC)c2)cc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHHCTJHETYVIIQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ncccc2-c2ccnc(C)c2)cc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSSAMWFREZNTNS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ncccc2-c2ccncc2)cc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJWULHZLJXGADU-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)Nc1ccc2[nH]c3ccc(NC(=O)CN(C)C)cc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1198279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOTVYWANHLMHHN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(N4CCCCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCHSTPMAYIGFG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZAJWVDETFBAOO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(N4CCC(C)CC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCGGEOQVKUDTJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(CC)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFUFCUQFLWDSC-UHFFFAOYSA-N", "SMILES:CCCc1ccc(Nc2cc(C)nc3ccc(C(=O)OCC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIWNPRCWJNZGZ-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(Nc2cc(C)nc3ccc(C(=O)OCC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRLRPFTQNWWMU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEPWNNVIRDLFPA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(-n4cnc5ccccc54)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMODSFOSNVXWIR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(-n4cccn4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCTYAITXIJXED-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(N4CCCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJFXPKRDAWHSIA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(C(=O)N4CCCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYWAYNLXISDFV-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C)cc(Nc3ccc(N4CCCCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRROGIXQXAYXDX-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(C)cc(Nc3ccc(N4CCCCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMYYZVQNCGWPY-UHFFFAOYSA-N", "SMILES:CSc1ccc2nc(C)cc(Nc3ccc(N4CCCCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXHWOLMGZTYNAZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(N3CCCCC3)cc2)c2cc(C#N)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSLBGUBQKXQQC-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(N3CCCCC3)cc2)c2cc(N(C)C)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTUCVFQLJAJKME-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(N3CCCCC3)cc2)c2cc([N+](=O)[O-])ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZFPXODYWZUEZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C)cc(Nc3ccc(N4CCCCC4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYBFWXUZFKZNQU-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(N3CCCCC3)cc2)c2cc(C(C)C)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUTSXDSWTQKROL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(N3CCCCC3)cc2)c2cc(F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAIJOWYNOZQMO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(N3CCCCC3)cc2)c2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JODDVKBKBLHAOT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(N3CCCCC3)cc2)c2cc(Br)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJVRUMCQXVMCED-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(N3CCC(C)CC3)cc2)c2cc(Br)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGZIUJLWCWRAT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(-n3cccn3)cc2)c2cc(Br)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNIIZEXDRHQYJA-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ccc(N3CCCCC3)cc2)c2cc(Br)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZFVTYUIFWFFD-UHFFFAOYSA-N", "SMILES:CCc1cc(Nc2ccc(N3CCCCC3)cc2)c2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4873479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTDFCZCBIXFEI-UHFFFAOYSA-N", "SMILES:COc1ccc2nccc(CCN3CCC(NCc4cc(F)c(Br)c(F)c4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSJIYODUVAGVDD-KOMQPUFPSA-N", "SMILES:COc1ccc2nccc(OC[C@H]3CC[C@H](NCc4cc(F)c(Br)c(F)c4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCUJWFPIOPLDLN-CABCVRRESA-N", "SMILES:COc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4cc(F)c(Br)c(F)c4)CO3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLQISQKEHCDJQ-CCCGKPSOSA-N", "SMILES:COc1ccc2nccc(C(O)C[C@H]3CC[C@H](NCc4cc(F)c(Br)c(F)c4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VINPUJZJRCEBET-UHFFFAOYSA-N", "SMILES:COc1ccc2nccc(CCN3CCC(NC(=O)c4cc(F)c(Cl)c(F)c4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWWHNZAZANFOZ-UHFFFAOYSA-N", "SMILES:COc1ccc2nccc(CCN3CCC(NC(=O)c4cc(F)c(Br)c(F)c4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMNYTOHUPZLOA-UHFFFAOYSA-N", "SMILES:COc1ccc2nccc(CCN3CCC(NC(=O)c4ccc(I)c(F)c4)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501849", "category": ["biolink:ChemicalEntity"], "name": "SIMEPREVIR", "xref": ["InChIKey:JTZZSQYMACOLNN-VDWJNHBNSA-N", "SMILES:COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C"], "synonym": ["Simeprevir", "Simeprevir", "Simeprevir", "Simeprevir", "Simeprevir", "Simeprevir", "Tmc435", "TMC 435", "TMC 435350", "TMC-435", "TMC-435350", "TMC435350", "Simeprevir"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL93298", "category": ["biolink:ChemicalEntity"], "name": "AROTINOLOL", "xref": ["InChIKey:BHIAIPWSVYSKJS-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1"], "synonym": ["Arotinolol", "Arotinolol", "NSC-317940"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5414074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEKQYLTAIVCBW-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFARJQDNUCDBL-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZBROGZZNDQFRW-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUIKVYZYDYYDN-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMXSZZIBDHVNR-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PALVOIADDFXQGT-AVQMFFATSA-N", "SMILES:CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(CO)COP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3707375", "category": ["biolink:ChemicalEntity"], "name": "AMISELIMOD", "xref": ["InChIKey:JVCPIJKPAKAIIP-UHFFFAOYSA-N", "SMILES:CCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F"], "synonym": ["Amiselimod", "2240442", "MT-1303 FREE BASE", "Amiselimod"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNDDDFYFTSGSEC-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCC(=O)O)no2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3899384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUXQKIWMYYPQI-SFHVURJKSA-N", "SMILES:CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N)no2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZVUYJGCYLMFGX-UHFFFAOYSA-N", "SMILES:NC(CO)(CCc1ccc(Sc2cccc(Oc3ccccc3)c2)cc1Cl)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297350", "category": ["biolink:ChemicalEntity"], "name": "ASP-4058", "xref": ["InChIKey:NJNXCJPSMWKXHO-VIFPVBQESA-N", "SMILES:C[C@H](Oc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1C(F)(F)F)C(F)(F)F"], "synonym": ["Asp-4058", "Asp4058", "ASP4058"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDQIPUKAXBMBX-UHFFFAOYSA-N", "SMILES:CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097139", "category": ["biolink:ChemicalEntity"], "name": "ICANBELIMOD", "xref": ["InChIKey:YBIFMTGYWXNIRZ-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)c(F)c3)no2)cc1"], "synonym": ["Icanbelimod", "Icanbelimod", "Icanbelimod", "S1p receptor agonist 1", "AR-507630", "AR507630"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297542", "category": ["biolink:ChemicalEntity"], "name": "GSK-2018682", "xref": ["InChIKey:NFIGDBFIDKDNIG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ncc(-c2nc(-c3cccc4c3ccn4CCCC(=O)O)no2)cc1Cl"], "synonym": ["Gsk-2018682", "Gsk2018682", "GSK2018682"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5413017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRBZNIUFAKIIQG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3cnc(Oc4cccc(Cl)c4)nc3o2)cc(C)c1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYZTXDCPUPYILV-UHFFFAOYSA-N", "SMILES:CCOCCCC1CCc2cc(C3CCC(N)(CO)C3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUIKTBLZSPQGCP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMRLBSIYIBOLLJ-GOSISDBHSA-N", "SMILES:CCCCCCCOc1ccc(CC[C@@](C)(N)COP(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1452805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMKXHTDCKLZHIM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGAJNPLDJJBRHK-UHFFFAOYSA-N", "SMILES:Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(Cl)c3)s1)CCN(CCC(=O)O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYGKUKNGQRESX-UHFFFAOYSA-N", "SMILES:CC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL59004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDKSXXXIVZVJZ-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWJBUYRRHZVFX-XPVJRBTNSA-N", "SMILES:CO[C@H]1[C@@H](N2CC[C@@H](O)C2=O)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXLQQYIZJOJCW-MCNPSASJSA-N", "SMILES:C[C@]12O[C@H](C[C@@H](N)[C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5403816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLCDOZPSWBFLR-QZWFZWIRSA-N", "SMILES:C[C@]12O[C@H](C[C@@H](N)[C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNIILBAPXSXCNG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c4[nH]c5ccccc5c4c4c(c3c2c1)C(=O)NC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEUNRDYSHKACQD-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGHWJWAKDGWQX-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)c2c1c1c3cc(O)ccc3[nH]c1c1[nH]c3ccc(O)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZMQINDJNQUDX-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1c1c3cc(O)ccc3[nH]c1c1[nH]c3ccc(O)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYBSABZINWRAL-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4c(c3c2c1)C(=O)NC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDUDYIDTIJKDRQ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4c(c3c2c1)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFKANVQWTDJLMI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4c(c3c2c1)CNC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPMBKMXEWRMWFM-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3c4[nH]c5ccccc5c4c4c(c3c2c1)C(=O)NC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWHLOMYCVLPAO-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1c1c3cccc(O)c3[nH]c1c1[nH]c3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSCADUVKLRNEB-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3c(c21)C(=O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNCMMKJNEMBGHM-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(O)ccc3c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZBFITWZTMSLLS-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3cc(O)ccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSWOSYARKHCHX-UHFFFAOYSA-N", "SMILES:O=C1NCc2c1c1c3ccc(O)cc3[nH]c1c1[nH]c3ccccc3c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5439177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMOYNGSHDNLYOR-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2ccccc2F)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGVCSVOTSETDO-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2c(F)cccc2F)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWCAAHDFSQUHPZ-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2ccccc2Cl)S/C1=C1\\C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIFUDKGTKISRNV-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2ccccc2Cl)S/C1=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUQNBVAKVGMIG-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2ccccc2Cl)S/C1=C1\\C(=O)Nc2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBEFMNRSKMLVCT-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2cccc(F)c2F)S/C1=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLAAXETVYJLJDI-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2c(F)cccc2F)S/C1=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKWLGNHJPRCBDE-ZZEZOPTASA-N", "SMILES:CN1CCC(C(=O)Nc2ccc3c(c2)/C(=C2/S/C(=N/c4cccc(Cl)c4Cl)NC2=O)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSCAZNZCUPHEP-YPKPFQOOSA-N", "SMILES:O=C1S/C(=N\\c2ccccc2Cl)N/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODHGANCQSPIRU-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNAGHGLOQPMHN-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2cccc(F)c2)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRUAHXHFDXQJTM-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2cccc(F)c2F)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJWKJWXHUGFCC-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2ccccc2C(F)(F)F)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHHHOBMKXPPPP-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2ccccc2[N+](=O)[O-])S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVWJKZQXVSCST-NXVVXOECSA-N", "SMILES:CCOc1ccccc1/N=C1\\NC(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJVGFJBPVRHGF-PFONDFGASA-N", "SMILES:COc1ccccc1/N=C1\\NC(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILZQDMICBCVCA-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2Cl)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWJOCBYAWOKND-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2cccc(F)c2Cl)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVLHDSLWIGMBY-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2F)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOSGHYQVHVFNH-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2c(Cl)cccc2Cl)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLWGFPWJPSOBO-KAMYIIQDSA-N", "SMILES:O=C1N/C(=N\\c2c(Cl)ccc(Cl)c2Cl)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNMLMGYUWWLXKU-PFONDFGASA-N", "SMILES:CN1C(=O)/C(=C2\\S/C(=N/c3ccccc3Cl)NC2=O)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCGVQRHVFYVEK-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2)S/C1=C1\\C(=O)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAOPUBJVIBTLFY-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2)S/C1=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPAKKWAMMCGBF-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2)S/C1=C1\\C(=O)Nc2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNDJWNGZFNHKD-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2ccccc2F)S/C1=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCIIDAVQGWIGIO-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2cccc(F)c2)S/C1=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIRYPTJCDMKAIN-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2Cl)S/C1=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFBSWURKHZZAGC-PFONDFGASA-N", "SMILES:COc1ccccc1/N=C1\\NC(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAWKETQLYUVQEK-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2ccccc2Cl)S/C1=C1\\C(=O)Nc2ccc(I)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQDMUJQSUPOLB-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2ccccc2Cl)S/C1=C1\\C(=O)Nc2ccc([N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGZUWKWACANJOH-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2Cl)S/C1=C1\\C(=O)Nc2ccc(I)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIUPDZARFUUHO-OWBHPGMISA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2Cl)S/C1=C1\\C(=O)Nc2ccc([N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPGMJSWQKCJPGC-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N/c2cccc(Cl)c2)S/C1=C1\\C(=O)Nc2ccc(I)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIPHGRPQIVJFG-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2)S/C1=C1\\C(=O)Nc2ccc([N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYLQSZLVTVKFT-SQFISAMPSA-N", "SMILES:Cc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3Cl)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNKDQHOYPRFIN-PEZBUJJGSA-N", "SMILES:CN(C)c1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3Cl)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDYKFSSURJRAS-VLGSPTGOSA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2Cl)S/C1=C1\\C(=O)Nc2ccc(N3CCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHPKQZHHUVMNC-VLGSPTGOSA-N", "SMILES:O=C1N/C(=N\\c2cccc(Cl)c2Cl)S/C1=C1\\C(=O)Nc2ccc(N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDYKBILIDFANAY-PEZBUJJGSA-N", "SMILES:CC(=O)Nc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3Cl)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFCXFOCWNSHBO-VLGSPTGOSA-N", "SMILES:CN(C)CC(=O)Nc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3Cl)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAWLAARHXPCHIG-ZZEZOPTASA-N", "SMILES:CCN(CC)CC(=O)Nc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3Cl)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAQKOCWOSGWGQX-ZZEZOPTASA-N", "SMILES:O=C(CN1CCCC1)Nc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3Cl)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADDYGYPZCGUCY-VZCXRCSSSA-N", "SMILES:O=C(CN1CCCCC1)Nc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3Cl)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIFPAZVPCCTHDD-ZPHPHTNESA-N", "SMILES:CN(C)CCC(=O)Nc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3Cl)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTDJLPCGMPZAIH-VZCXRCSSSA-N", "SMILES:CCN(CC)CCC(=O)Nc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3Cl)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLSRJBMKFQMNIZ-VZCXRCSSSA-N", "SMILES:O=C(CCN1CCCC1)Nc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3Cl)NC1=O)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJYZQUJJGZLSIY-UHFFFAOYSA-N", "SMILES:O=C(O)CN(Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJDIGSXOHMPZNA-UHFFFAOYSA-N", "SMILES:O=C(O)CN(Nc1nc(-c2c[nH]c3ncccc23)ncc1F)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECOSHBYWHTBJW-UHFFFAOYSA-N", "SMILES:CC(C1CC1)N(CC(=O)O)Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCPIBRYRQXBPG-UHFFFAOYSA-N", "SMILES:CC(C)(C)N(CC(=O)O)Nc1nc(-c2c[nH]c3ncccc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEPEQCPHBWQRU-UHFFFAOYSA-N", "SMILES:CC(C)(C)N(CC(=O)O)Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDSHPFGZSRPOD-ZDUSSCGKSA-N", "SMILES:O=C(O)[C@@H]1CCCCN1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOUBTWODGJUWMU-ZDUSSCGKSA-N", "SMILES:O=C(O)[C@@H]1CC2(CC2)CN1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDRCALZGAOZZKC-HNHYXYPQSA-N", "SMILES:O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSSSLEMHULXIGX-UHFFFAOYSA-N", "SMILES:O=C(O)CN(Nc1nc(-c2c[nH]c3ncccc23)ncc1F)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHISPLOVNLAXIS-VMPITWQZSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNIAMFZNLNRYCV-QPJJXVBHSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJLNVYBXWAZLAJ-VMPITWQZSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSADYJMTVGUMNS-RMKNXTFCSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODBZUKFACSZNY-DHZHZOJOSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUNLGUVZMRNNK-RMKNXTFCSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJKOCQFEZTVJK-VMPITWQZSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDECFBLJXBVMQG-RMKNXTFCSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYOSSCKBKSEKTR-JXMROGBWSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEHPPYLLUOJXCO-FMIVXFBMSA-N", "SMILES:CCN(CC)CCCOc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHDCERHDJANPT-JXMROGBWSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACPZLYNUGHUAM-VMPITWQZSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDSXNVTKROKIP-QPJJXVBHSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVMIXHBHCRHLFL-VMPITWQZSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMEHIVVYVXTPME-RMKNXTFCSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLHRZRIACGUHCS-DHZHZOJOSA-N", "SMILES:CCN(CC)CCOc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGCOIDLITJIAAV-DHZHZOJOSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLQQVRMXDLRAGA-RMKNXTFCSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZZQCZGIRVJLK-VMPITWQZSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPYBFTIIWUIRRV-RMKNXTFCSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJJKQRMFKLMME-JXMROGBWSA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJKAUBDFWTWNW-FMIVXFBMSA-N", "SMILES:CCN(CC)CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2043176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCJXATSREUCGQN-QPJJXVBHSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCJGWITYNVWXGI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(NCc4cc(F)cc(F)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXZXKOJVKYIJT-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2c[nH]c3ncc(NCc4cc(F)cc(F)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRFEKCLNDSTNO-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2c[nH]c3ncc(NCc4cc(F)cc(F)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWRZAZVQKFHKW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2c[nH]c3ncc(NCc4cc(F)cc(F)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDIGZOUPVIOQB-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(CNc2cnc3[nH]cc(-c4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAYITZJGTHRHCT-UHFFFAOYSA-N", "SMILES:Fc1cccc(CNc2cnc3[nH]cc(-c4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPPYPSPZKNAEEZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(CNc2cnc3[nH]cc(-c4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFDSVHJZYCCZPF-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(CNc2cnc3[nH]cc(-c4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIRUXNAUNULTKO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(CNc2cnc3[nH]cc(-c4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNOLBOVITXYRCW-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(CNc2cnc3[nH]cc(-c4cccnc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZJKOTRQSWFPDC-UHFFFAOYSA-N", "SMILES:c1cncc(-c2c[nH]c3ncc(NCc4ccc(N5CCOCC5)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFKCHMWLAKOGP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(CNc3cnc4[nH]cc(-c5cccnc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIPVSAMXEJJSQJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2[nH]cc(-c3cccnc3)c2c1)c1ccc(C(F)(F)F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPXOOJKYAVKSZ-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1C(=O)Nc1cnc2[nH]cc(-c3cccnc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUFOIERLQIZTQS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2[nH]cc(-c3cccnc3)c2c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCGNVFTPGMPRK-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2c[nH]c3ncc(NCc4cccc(F)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYGJWKDBGBTLQX-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2c[nH]c3ncc(NCc4ccc(F)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRWZLZEWWHLAK-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2c[nH]c3ncc(NCc4cc(F)cc(F)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFDXBDDAUDFPV-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2c[nH]c3ncc(NC(=O)c4ccc(F)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEVGWDHBNRPKDD-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2c[nH]c3ncc(NC(=O)c4ccc(Cl)cc4OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMGVWWVYFEXQP-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2c[nH]c3ncc(NCc4ccc(N5CCOCC5)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEFDUBOFWGUALT-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1C(=O)Nc1cnc2[nH]cc(-c3cncc(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUYFQJWMCOBPQL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(CNc3cnc4[nH]cc(-c5cncc(F)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKHTRXKHPHEPP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3cnc4[nH]cc(-c5cncc(F)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHWTQBHEYLRRJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2[nH]cc(-c3cncc(F)c3)c2c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIUDIYZVSXHPDJ-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(CNc2cnc3[nH]cc(-c4ccc(C(F)(F)F)cc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQUSEWPGMDWGE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2c[nH]c3ncc(NCc4cc(F)cc(F)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNBFWEWIGARBIQ-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(CNc2cnc3[nH]cc(C4=CCCCC4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLUXLWAESKAZRK-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(CNc2cnc3[nH]cc(-c4ccc5ccccc5c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVEXZFLZXSUWCB-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(CNc2cnc3[nH]cc(-c4cc5ccccc5s4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMCSSDLJENEFRD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3ccc(NCc4cc(F)cc(F)c4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQPRLUPWBDRRC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2[nH]cc(-c3cncc(F)c3)c2c1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTQLUTZZMZVNJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cnc2[nH]cc(-c3cncc(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIDDWMHSPNSOHL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cnc2[nH]cc(-c3cncc(F)c3)c2c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOAMCMGMDKVPBS-HCGXMYGOSA-N", "SMILES:Fc1cccc(/C=N/c2cnc3[nH]cc(-c4cncc(F)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLTKRDRXFYPZBY-HCGXMYGOSA-N", "SMILES:Fc1ccc(/C=N/c2cnc3[nH]cc(-c4cncc(F)c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRHSMXLXWORYJK-SSDOTTSWSA-N", "SMILES:C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095217", "category": ["biolink:ChemicalEntity"], "name": "VIMNERIXIN", "xref": ["InChIKey:UCCNQCNIPRKLRP-CJNGLKHVSA-N", "SMILES:CC1CN(S(=O)(=O)Nc2cc(O[C@H](C)[C@@H](O)CO)nc(SCc3ccc(F)cc3)n2)C1"], "synonym": ["Vimnerixin", "Vimnerixine", "Vimnerixina", "Azd 4721", "Vimnerixin", "AZD-4721", "AZD4721", "RIST-4721", "RIST4721"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZWWEGJMYGYLRS-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)c2cccc3nsnc23)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1417864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSFQNOSQYVRWMF-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1445650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRNYOZJJMFDBV-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROWJVVYZNHPQX-KEBDBYFISA-N", "SMILES:Nc1c(C(=O)N/N=C/c2ccccc2)cnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDNINLNBPIYEHO-AWQFTUOYSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2ccc(O)cc2)cnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVCBSGZKOFRJK-UFFVCSGVSA-N", "SMILES:COc1ccc(/C=N/NC(=O)c2cnn(-c3ccc(S(N)(=O)=O)cc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMNKBYZDOJQBIH-SSDVNMTOSA-N", "SMILES:CN(C)c1ccc(/C=N/NC(=O)c2cnn(-c3ccc(S(N)(=O)=O)cc3)c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFHWJUGRMUDHQ-ZVBGSRNCSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2ccccc2Cl)cnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBHTDYMZAMEEI-ZVBGSRNCSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2ccc(Cl)cc2)cnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOFOEVNYGMELQV-AWQFTUOYSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXJYIFPYTZJPY-AWQFTUOYSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXNNNLXDZLQEL-AWQFTUOYSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPDQLORMJTCKM-QGMBQPNBSA-N", "SMILES:Nc1c(C(=O)N/N=C/c2cccs2)cnn1-c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOEFYLYJOZNWMP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CC(=O)OCCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTNQQHJEFJTBW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CC(=O)OCCCCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLTUCWWRYYFBU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CC(=O)OCCCCCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMUOLIDFLSVJOO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CC(=O)OCC(C)COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDHILQAFPKWOQZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cnc3[nH]ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCDTRLJCLTNPN-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cnc3[nH]ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGTRWIORMSXMMX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnc3[nH]ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTOWKWYQXYNGMD-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cnc3[nH]ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCJDALYDSQZDDE-CAOOACKPSA-N", "SMILES:O/N=C/c1ccc(-c2cnc3[nH]ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZVRMPGAWBYHN-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUUOFJGJLOSWFW-UHFFFAOYSA-N", "SMILES:OCCc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUBYRVPGFODCSQ-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1cc2cccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDJOSKSRZQQPEE-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2cc3cccnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNOBOHLKISPNP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL79711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHISXEDJQZVJAL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3ccc[nH]c-3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPXHYGLEQXCDV-UHFFFAOYSA-N", "SMILES:CC(C)(C)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFIEJJCRKMGAG-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHYFLSUSRRRNM-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc3cccnc3[nH]2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJTFYAFRAZOZIH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc3cccnc3[nH]2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUUFGSCGLMGJB-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cc3cccnc3[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBWMHXSHNKAOB-UHFFFAOYSA-N", "SMILES:Oc1ccc2ccc(-c3cc4cccnc4[nH]3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCWTIDFOROMDR-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(-c3cc4cccnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUOISILPVTGGD-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2ccc(-c3cc4cccnc4[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRGKXQIKAUCLMG-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]c(-c3ccc4ncsc4c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKQHPUSUFDYIN-CXUHLZMHSA-N", "SMILES:O/N=C/c1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNUHXRHOEBFVQR-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]c(-c3ccc4c(c3)CCCO4)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNXMZLTYLBJBTA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLYRQMNIIWHHHV-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFUDPRBFEVKXOS-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTZNEQATKQIVGX-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZCUDMXUMSHGPQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)c1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIZDROZMKOKCL-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)c1ccc(-c2cc3cccnc3[nH]2)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPVUJCFSNFINJR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cc3cccnc3[nH]2)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPJTJHVINPPBF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cc3cccnc3[nH]2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGNUXBLEPKELF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cc3cccnc3[nH]2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBSCPNOOKRZFKO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cc3cccnc3[nH]2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIVNLTXMCUHDMY-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cc4cccnc4[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUMFFFVALDBPKP-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"name": "Receptor-interacting serine/threonine-protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL5465365"], "id": "UniProtKB:Q9QZL0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJFPTYXTTHVTHL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Oc3ccc(C(C)C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNDMHNDHOBUBIW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Oc2cccnc2)c1)c1cn(-c2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWKBIFBFJMCFFF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(Oc3cccnc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWWZBIXRWZHBB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Oc3ccc(C(C)C)cc3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRDZHGPPUFCBO-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1Oc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDNZVQUEORVNDJ-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1Oc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVRSNAPDOZGGGS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Oc3ccc(C)cc3OC)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTDROLLIJXEUKF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Oc2cccnc2)cc(C(F)(F)F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODZPKVAISZKCGI-UHFFFAOYSA-N", "SMILES:Nc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc(Oc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIYCPZLBYSJYQC-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(N)cc(Oc3cccnc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGQEABFTCEVPC-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2cc(N)cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOWYLRWSOZDRKJ-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2cc(N)cc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHNQLGVWULLMSA-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(Oc2cc(N)cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3654384", "category": ["biolink:ChemicalEntity"], "name": "ORISMILAST", "xref": ["InChIKey:ZININGNRPUGNSL-UHFFFAOYSA-N", "SMILES:O=C(Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c2c1OC1(CCS(=O)(=O)CC1)O2"], "synonym": ["Orismilast", "LEO-32731"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYENJNLJCSMGML-UKWCPTHLSA-M", "SMILES:CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)[O-])[C@H]3[C@H](C)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COYAPFGRZOKSMJ-SEVSZYRESA-M", "SMILES:CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@H](C)CCCC(=O)NCCS(=O)(=O)[O-])[C@H]3[C@H](C)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCUPTSXIGDAAMB-JVTQSZIDSA-N", "SMILES:C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@H]1[C@H](C)C[C@H]1[C@H]2[C@H](O)C[C@@H]2C[C@H](O)CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGHBDCPURTVQSP-HAVRQCGXSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(=O)O)[C@H]3[C@H](C)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYENJNLJCSMGML-ZDNCXPDOSA-M", "SMILES:CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)NCCS(=O)(=O)[O-])[C@H]3[C@H](C)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOXBVRITQFBGD-KRSAMYNOSA-N", "SMILES:C[C@H](CCCCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]1[C@H](C)C[C@H]1[C@H]2[C@H](O)C[C@@H]2C[C@H](O)CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXFXBKVXFQLEPG-OPVRKDAYSA-M", "SMILES:C[C@@H]1C[C@H]2[C@H]([C@@H]3CC[C@@H]([C@H](C)C(=O)NCCS(=O)(=O)[O-])[C@H]31)[C@H](O)C[C@@H]1C[C@H](O)CC[C@@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRYMNPNETXBBEN-JDSQVNOZSA-M", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]1[C@H](C)C[C@H]1[C@H]2[C@H](O)C[C@@H]2C[C@H](O)CC[C@@]21C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEMCKWHHDNNCN-BGQAHWPMSA-M", "SMILES:C[C@H](CCCC(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]1[C@H](C)C[C@H]1[C@H]2[C@H](O)C[C@@H]2C[C@H](O)CC[C@@]21C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHDCRZWFKPWKD-IVWSFEJUSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@H](C)CC(=O)O)[C@H]3[C@H](C)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIOHZIZYMNLRZ-OVNOGLKUSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@H](C)CCC(=O)O)[C@H]3[C@H](C)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGHBDCPURTVQSP-PCWAFQMZSA-N", "SMILES:CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@H](C)CCCC(=O)O)[C@H]3[C@H](C)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXNICMVMFRSAQX-ZNOCDOIRSA-M", "SMILES:CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@H](C)C(=O)NCCS(=O)(=O)[O-])[C@H]3[C@H](C)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHAWGJOGFVVPE-HPTVGYMSSA-M", "SMILES:CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@H](C)CC(=O)NCCS(=O)(=O)[O-])[C@H]3[C@H](C)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTUMILZVRUKECI-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNUQYQJULXZFX-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNRFNQXNQSXMBE-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTXPCFKHEUHQFU-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONBFTLFVPIUSIX-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZBNCPHLKMSYMM-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Nc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYCVEGOFICCAIV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXYRNJBYBKUGLD-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHEONWCOOHABLJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFUVGMXXDOHZSS-UHFFFAOYSA-N", "SMILES:O=C(Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOHQOZPWKHEMC-UHFFFAOYSA-N", "SMILES:O=C(Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZGTDYVNVGATD-UHFFFAOYSA-N", "SMILES:O=C(Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYMMFTVGLIEOR-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCCC1)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INHMDJICEWMTHG-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCC1)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXIVYUVOQGAYOU-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBRYIQWRZLEGM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTMDGFZKEHAVHF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHNZEYUJSPANW-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Nc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWGWDDBDFJAOLC-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKWQJJBTQFDTHK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZJCFZVMUJFGJV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBJWJGUPMFOQCV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDQPCGBIDGMJNE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRYWKHYHULAEMS-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2nnc(-c3ccnc(-c4ccccc4)c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFKLCPCUECHESR-AEFKHOGKSA-N", "SMILES:CC(C)CN[C@@H](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWNGJGFKYYRQQC-UHFFFAOYSA-N", "SMILES:Cn1nnc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXAXMDGEXGUYBN-HHHXNRCGSA-N", "SMILES:Nc1ncnc2c1ncn2Cc1cc(-c2ccc(F)c(F)c2)ncc1N1CCC[C@](N)(c2ccccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRSLMKMBHEPBF-XMMPIXPASA-N", "SMILES:CNC(=O)[C@@]1(N)CCCN(c2cnc(-c3cccc(F)c3)cc2Cn2cnc3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLJXHYDKIFHSPG-RKOGDMNLSA-N", "SMILES:CC[C@H](C)C(=O)[C@@]1(N)CCCN(c2cnc(-c3ccc(F)c(F)c3)cc2Cn2cnc3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNMKKHHROUSDI-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)c1c(OCCCN2CCNCC2)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4059535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTWUNOVBCHBJR-ZLUOBGJFSA-N", "SMILES:N[C@@H](CN[C@@H](CN[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5407291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPOSWQWTHALSRX-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)OCc2c(OC(C)C)ccc3c(C)c(Cc4ccccc4)c(=O)oc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQEMAIVZOAKYQG-UHFFFAOYSA-N", "SMILES:CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVULUAJPYRJHT-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cccc(C(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(Cl)cc34)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMVWWSQQOYBNMU-HNNXBMFYSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC34CC4)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDHRWZXWLXICRG-NFOMZHRRSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CC4CC3CN4S(=O)(=O)c3ccc(Cl)c(Cl)c3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKRNKJOWCXWQFT-HNNXBMFYSA-N", "SMILES:CC[C@@H](CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2c(C)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVBGMRPSQLSEX-UHFFFAOYSA-N", "SMILES:Cc1csc2c(NC3(CN4CCN(S(=O)(=O)c5ccc(Cl)c(Cl)c5)CC4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEZXVYXQVVDVLB-UHFFFAOYSA-N", "SMILES:Cc1csc2c(NCC(C)N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVGGVUYXPYFHLH-INIZCTEOSA-N", "SMILES:Cc1csc2c(N3CCC[C@H]3CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEIQWIBKRLUCJY-FHERZECASA-N", "SMILES:Cc1csc2c(N[C@@H](C)CNC3CCC(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZKBXHDUUHTVIB-AWEZNQCLSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CNC3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVIZRCSAWUJKIN-AWEZNQCLSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCC(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEPAXYUZLUNPM-INIZCTEOSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRHGQJQBOFYLX-INIZCTEOSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)C4CCCCC4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBXIHNDGDNUJHG-AWEZNQCLSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXELIAPJOQZEHJ-AWEZNQCLSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKZVIAGNKUTCW-HNNXBMFYSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQPSUNOZPAGPSW-AWEZNQCLSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYYGFDDZXMUHZ-HNNXBMFYSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAIFUYNQVLCGRL-AWEZNQCLSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)C(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDKHODPFZRLOZ-SFHVURJKSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORGCNIECPBRLR-INIZCTEOSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDTSJYDPIUOMCN-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVNYKVINMHFASR-HNNXBMFYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPISKZOVMHCSHT-LBPRGKRZSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4cc(Cl)c(Cl)s4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOCZKIKENBTFCD-ZDUSSCGKSA-N", "SMILES:CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQEIQGRAWGHBKA-ZDUSSCGKSA-N", "SMILES:CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDOIGTLGPBWFKJ-ZDUSSCGKSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCOMZPEYYHXRW-KRWDZBQOSA-N", "SMILES:Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4cnc(-c5ccccc5)s4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVRGHEYADYBWFL-HNNXBMFYSA-N", "SMILES:Cc1noc(-c2ccc(S(=O)(=O)N3CCN(C[C@H](C)Nc4ncnc5c(C)csc45)CC3)s2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATDOVLAKNAJIU-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnc(NC(C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOXUCGDTOYESQN-UHFFFAOYSA-N", "SMILES:CC(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2ccsc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZRBTWWWJVBHB-UHFFFAOYSA-N", "SMILES:CC(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2c(-c3ccccc3)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZUQRCIFDMGOBG-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(C)CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c2scc(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJSXIPWJODORT-ZDUSSCGKSA-N", "SMILES:C[C@@H](CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2cnn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKJVWHRDHHMFQB-AWEZNQCLSA-N", "SMILES:C[C@@H](CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2ccn(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMHMAAVSDLLGGA-ZDUSSCGKSA-N", "SMILES:C[C@@H](CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDOUMZOBJUTDB-UHFFFAOYSA-N", "SMILES:CC(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2c1ncn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLLKMQQXJYFBJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(NC(C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFXVYNXWCRVPHE-AWEZNQCLSA-N", "SMILES:C[C@@H](CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2c(C(F)(F)F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVWIDOHMLSJWDY-AWEZNQCLSA-N", "SMILES:C[C@@H](CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUAZWEKPRIUVEE-HNNXBMFYSA-N", "SMILES:COC(=O)c1cccc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNUKZQQSNHVAG-ZDUSSCGKSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C(F)(F)F)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YICUWFHDEOQRIL-HNNXBMFYSA-N", "SMILES:Cc1noc(-c2ccc(S(=O)(=O)N3CCN(C[C@H](C)Nc4ncnc5c(C(F)(F)F)cccc45)CC3)s2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUTGATJOERBTMC-HNNXBMFYSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C(=O)N(C)C)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HILNQOAFLVPCCY-HNNXBMFYSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(-c5c(C)noc5C)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYHPWCVLZAKILQ-HNNXBMFYSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(-c5sc(C)nc5C)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIJVHQIPGRQNK-HNNXBMFYSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(-c5cn(C)nc5C(F)(F)F)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRRURNPVVSZWQV-KRWDZBQOSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(-c5cccnc5)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRCLTSDGJDOJJI-SFHVURJKSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(-c5ccc(C)nc5)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGADERHOWBSFEB-KRWDZBQOSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(-c5cccnc5C)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLJSUGSFVPEFU-FQEVSTJZSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(-c5cccc(CN(C)C)c5)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUORYDUFAWWKJU-QFIPXVFZSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(-c5cccc(CN6CCCC6)c5)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FINLZXGGJMWFEX-QFIPXVFZSA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(-c5ccc(CN6CCCC6)cc5)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURVGLZWUVECHN-IBGZPJMESA-N", "SMILES:COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(-c5ccc(F)c(CN(C)C)c5)cccc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRPVPAVWPRHEBF-UHFFFAOYSA-N", "SMILES:CC(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERIXIFQJJFPGS-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cc3cc(C(=O)N4CCCC(N)C4)ccc3n2N)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJSZICRJHDQNCG-QGZVFWFLSA-N", "SMILES:COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2cc(-c3cc4cccnc4n3C)n(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1962723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLFDULIIJWCYCK-NSHDSACASA-N", "SMILES:N=C(CF)NCCC[C@H](NC(=O)c1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTNFIVWBJDJRH-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nccn2c1)c1ccc(-c2ccc(-c3ccccc3Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFLIEILARDTTE-NHCUHLMSSA-N", "SMILES:CNC(=O)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1c(C)noc1-c1snnc1C)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHSUZNKVALZDLX-NRFANRHFSA-N", "SMILES:COCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(CNc2cccc(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEQJSQZZXWZPW-GSVOJQHPSA-N", "SMILES:NCCCC[C@H](NC(=O)CNC(=O)Nc1ccc2c(c1)c(CN1CCCC1)cn2Cc1c(Cl)cccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVZHPLXDBOMKY-SFHVURJKSA-N", "SMILES:C[C@@H](c1ccccc1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccccc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAOGFGHTPYADT-SFHVURJKSA-N", "SMILES:C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGGNIXXTHFOMEG-PIIWDFAUSA-N", "SMILES:CNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cc(-c2ccc(CN[C@H](C)c3ccc(C)cc3)o2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSISGUIVBKDTQO-QIKYYPRYSA-N", "SMILES:COc1cc(Cl)c(C(=O)N[C@@H](CN[C@H]2CC[C@@H](N)CC2)Cc2ccc(C#N)cc2)cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOIRFNSVGDYOAQ-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cc(-c2nc(N)nc3sc(C(=O)NCC(F)(F)F)cc23)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBQOCSTTWIUOOG-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(-c2nc(SCC(=O)NCC(F)(F)F)nc3[nH]cc(C#N)c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYZCJVOCSJBEHM-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOc1cc(-c2nc(N)nc3sc(C(=O)NCC(F)(F)F)cc23)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMARQLNZWKILW-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN(C)CC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL549749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRDVNUCOWRFLN-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cc2c(-c3cc(OCCN(CC)CC)c(Cl)cc3Cl)nc(N)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2158562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLZNENFSPWZCAG-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(-c2nc(SCC(=O)N(C)C)nc3[nH]cc(C#N)c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUROMDAKFFLACO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMEFWDUFQSXCFI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSUYHDCCLRIQA-UHFFFAOYSA-N", "SMILES:Cc1cc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOBVESXIKNHYPB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)nc2cc1F)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJIVMUVRUGUHED-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc2cn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)nc2cc1Cl)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBYRAYKCRVOFZ-UHFFFAOYSA-N", "SMILES:CCOc1cc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPXHCAKGRVHLDT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRLYUIFWYVWBV-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(F)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKCIWOKFITZTJ-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C#N)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWLIUWSVNWAFDJ-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHNGXPDMBMTTBN-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC(F)(F)F)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIMNCVIDWQOVPW-UHFFFAOYSA-N", "SMILES:CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCUBQYTMMBMSU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZZAUQYYQVUPX-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC4CC4)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRNKXLATVXBONQ-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDZFJGBNFBEPBN-UHFFFAOYSA-N", "SMILES:CCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLYRJVQDZYKVCX-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWDOWYVGZFBQX-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYWWOWQGPMEIC-HXUWFJFHSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc([C@@H](O)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZYWWOWQGPMEIC-FQEVSTJZSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc([C@H](O)C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBTVHFPPQWRMEB-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILMYAITZJAJSEG-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDDZHVWLDZGJX-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(NCC(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYLVCUFENDVPDV-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXQEHYYVXRDJC-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1coc(C2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNBMDOWFCZARV-UHFFFAOYSA-N", "SMILES:COCCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDDNFCQYSVOMY-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABUVVVLMOWRWIU-HNNXBMFYSA-N", "SMILES:CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(O[C@H]3CCOC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOUYADANCIGNZ-UHFFFAOYSA-N", "SMILES:COCCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPOWUCGAWVLUKN-UHFFFAOYSA-N", "SMILES:COc1cc2nn(C3CCCS(=O)(=O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNQEJHNOMBROB-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C3CCCS(=O)(=O)C3)[nH]c2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWHAAFXSNGUKR-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C3CCCS(=O)(=O)C3)n(C)c2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVXKXJUPHEDHS-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CCC(C)(C)O)c(C)c2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRMRCQCPDQTKCV-UHFFFAOYSA-N", "SMILES:Cn1c(CCC(C)(C)O)nc2cc(C(C)(C)O)c(NC(=O)c3cccc(C(F)(F)F)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHKNLBQMZJQLR-UHFFFAOYSA-N", "SMILES:CCn1c(CCC(C)(C)O)nc2cc(C(C)(C)O)c(NC(=O)c3cccc(C(F)(F)F)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZUSMRBJJKSMM-UHFFFAOYSA-N", "SMILES:COc1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYHNIXWLZJJZRG-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(-c3cc[nH]n3)c(NC(=O)c3cccc(C(F)(F)F)n3)cc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQAMEEFUUFJZRS-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPIWMDJLYOLTQ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(NC(=O)c3cc(C(C)C)c(O)cc3O)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPWOIUDGTUZKAY-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2cccc(NC(=O)c3cc(C(C)C)c(O)cc3O)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILOVEZKDAAUEIT-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(N(C)C(=O)c3cc(C(C)C)c(O)cc3O)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHLVLVHORLDII-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYAKTAPOPDPDBG-UHFFFAOYSA-N", "SMILES:CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIJMJWTZLFTDQQ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3cc(C(C)C)c(O)cc3O)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFGQPOCPRWCSRT-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2cccc(N(C)C(=O)c3cc(C(C)C)c(O)cc3O)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGZBFPQRAGEDNV-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWYKIQKFADMDSL-UHFFFAOYSA-N", "SMILES:CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNQWSMEPLWRLA-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2cccc(N(Cc3ccccc3)C(=O)c3cc(C(C)C)c(O)cc3O)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIEXIPQREXYLRA-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc(C(=O)O)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCDLMAVINKETD-PZJWPPBQSA-N", "SMILES:Brc1cc(Br)cc([C@H]2C[C@@H](CN3CCCC3)N2Cc2ccccc2Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFZYZHNIWJQEY-DOTOQJQBSA-N", "SMILES:CNC[C@@H]1C[C@H](c2ccc(OC(F)(F)F)cc2)N1Cc1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWZVLVPQFNLNB-AZUAARDMSA-N", "SMILES:FC(F)(F)Oc1ccc([C@H]2C[C@@H](CN3CCCC3)N2Cc2ccccc2OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3678173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHMFJXQQXHKRO-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFOBUVOECDQAV-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHQLFEXNBASPDV-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMLFWHKLPRITH-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQQROURWJSWRY-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)NCc1cc[nH]c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFTHAQBBTIBCOO-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEXCGAQDADSDQL-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLXECUXLYJUPE-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGBSVVKLGHLFX-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc[nH]c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHKRIRXXDMGKBZ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Oc2ccc(F)cc2C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXLABONODBEHG-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ncc(C(F)(F)F)cc2Oc2ccc(F)cc2C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRYOWQDTZUOJOW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWPRUDVIRIXDT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3678172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXUGFVKIDRBGU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCFSHAYAEARSEO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1OC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDJFFOCCZAPMEO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1N1CCC(C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMCYHGOWGXXJCY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Sc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGXIBJYBGBLAKH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1OC1CC=CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVEYOGJVSMRIOW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(C(F)(F)F)ccc2C(=O)Nc2cc[nH]c(=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXOHZQPKOIIHJL-AJLCLMPTSA-N", "SMILES:Cn1cc(Br)cc1C(=O)NC[C@@H]1[C@@H](CNC(=O)c2ccc(Br)[nH]2)Cc2nc(N)[nH]c2[C@H]1c1c[nH]c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVZPYFOIGDYLFC-UHFFFAOYSA-N", "SMILES:COc1ccc(SC2=CC(=O)c3cccc(O)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKUQPQABTSLCJZ-UHFFFAOYSA-N", "SMILES:COc1cccc(SC2=CC(=O)c3cccc(O)c3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDBHBALMGOGJFT-UHFFFAOYSA-N", "SMILES:COc1ccccc1SC1=CC(=O)c2cccc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHOOWEDYUPIFEQ-UHFFFAOYSA-N", "SMILES:COc1ccc(SC2=CC(=O)c3cccc(O)c3C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUVXACKBRZOOY-UHFFFAOYSA-N", "SMILES:Cc1ccc(SC2=CC(=O)c3cccc(O)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXAWNLXEDLNXKK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(SC2=CC(=O)c3cccc(O)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBKODABFAUCIHI-UHFFFAOYSA-N", "SMILES:O=C1C=C(Sc2ccc(O)cc2)C(=O)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOAEHAYJXOIAI-UHFFFAOYSA-N", "SMILES:O=C1C=C(Sc2ccc(F)cc2)C(=O)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYVZCSHXZYZBCN-UHFFFAOYSA-N", "SMILES:CCCCCSC1=CC(=O)c2cccc(O)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQUYEYJPZLCULC-UHFFFAOYSA-N", "SMILES:O=C1C=C(Br)C(=O)c2c(O)cccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5399770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIWUSTRVMSEHNV-ASDZUOGYSA-N", "SMILES:CC(=O)O[C@@H]1O[C@H](CSC2=CC(=O)c3cccc(O)c3C2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYZYBTJBPXQHRD-GAEMCWFSSA-N", "SMILES:O=C1C=C(SC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPKFGVILXUIKK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CSC2=CC(=O)c3cccc(O)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTTOUOKMZWJFAL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC2=CC(=O)c3cccc(O)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKWWVYJAXDCIP-MWFZDGHISA-N", "SMILES:CC(=O)OC[C@H]1O[C@H](OC2=CC(=O)c3cccc(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5423893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWCAHETWUAFCPC-UHFFFAOYSA-N", "SMILES:O=C1C=C(c2ccc(O)cc2O)C(=O)c2c(O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDUKFLZZKMMPR-UHFFFAOYSA-N", "SMILES:COc1ccc(SC2=C(c3ccc(O)cc3O)C(=O)c3c(O)cccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTEBXJABOGQTMD-PLOQDKEESA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](SC2=C(c3ccc(O)cc3O)C(=O)c3c(O)cccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDWJIDNBQFZKBH-XCZPVHLTSA-N", "SMILES:C#CCCCNC(=O)[C@@H](CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccc(OS(=O)(=O)C=C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1536119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLHRRNJOZJGKD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPYIETQLOVDJCF-XYOKQWHBSA-N", "SMILES:COc1ccc(N2C(=O)/C(=C\\c3ccc([N+](=O)[O-])s3)SC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJIPRAJBQVSJQ-OQLLNIDSSA-N", "SMILES:C=C(C)C(O)CC/C(C)=C/Cc1c(O)cc(CCCCC)c(C(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJIPRAJBQVSJQ-IKFRKZOMSA-N", "SMILES:C=C(C)[C@H](O)CC/C(C)=C/Cc1c(O)cc(CCCCC)c(C(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXEVFBMIKLHKQY-CXUHLZMHSA-N", "SMILES:C=C(C)C(O)CC/C(C)=C/Cc1c(O)cc(CCCCC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJIPRAJBQVSJQ-DHDCSXOGSA-N", "SMILES:C=C(C)C(O)CC/C(C)=C\\Cc1c(O)cc(CCCCC)c(C(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXMRIITZCLCWPZ-NTEUORMPSA-N", "SMILES:CCCCCc1cc(O)c(C/C=C(\\C)CCC(O)C(C)(C)O)c(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDLLQMNOWPXIV-KPKJPENVSA-N", "SMILES:CCCCCc1cc(O)c(C/C=C(\\C)CCC(=O)O)c(O)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLIVEALPSYDFKF-REDKUUPNSA-N", "SMILES:C=C(C)[C@H](CCC(C)=O)[C@@H]1c2c(cc(CCCCC)c(C(=O)O)c2O)O[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLIVEALPSYDFKF-QXATTWAWSA-N", "SMILES:C=C(C)[C@H](CCC(C)=O)[C@@H]1c2c(cc(CCCCC)c(C(=O)O)c2O)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQJZGZRGXVDCJN-FOWTUZBSSA-N", "SMILES:CCCCCC1=CC(=O)C(C/C=C(\\C)CCC=C(C)C)=C(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463843", "category": ["biolink:ChemicalEntity"], "name": "CANNABIGEROLIC ACID", "xref": ["InChIKey:SEEZIOZEUUMJME-FOWTUZBSSA-N", "SMILES:CCCCCc1cc(O)c(C/C=C(\\C)CCC=C(C)C)c(O)c1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5404503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJIPRAJBQVSJQ-DWCFMXGVSA-N", "SMILES:C=C(C)[C@@H](O)CC/C(C)=C/Cc1c(O)cc(CCCCC)c(C(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHJJAKHUFQUWRB-UYZWHREYSA-K", "SMILES:C/C(=C\\C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)[O-])[C@H]4C[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C(C)C.[Na+].[Na+].[Na+]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5420456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIUKBARABNEIBP-AKDNCKENSA-N", "SMILES:CC1=C2[C@@H](C)[C@@]3(C)O[C@H]3[C@]2(C)[C@H]2C(=O)[C@]34O[C@H]3[C@](O)(Cc3ccc(cc3)O[C@@H]3[C@H]5[C@@H](C[C@H](C)C[C@@H]5C)[C@H]1[C@H]32)NC4=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDBYBFRGSYHAF-YSCVJVDNSA-N", "SMILES:CC1=C[C@@]2(C)C(=C(C)[C@H]3[C@@H]4C[C@H](C)C[C@H](C)[C@H]4[C@@H]4Oc5ccc(cc5)C[C@@]5(O)C=C(C(=O)N5)C(=O)[C@@H]2[C@@H]43)[C@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5421141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKJXAQYJWFBJPH-QNGHTMOBSA-N", "SMILES:CC1=C[C@@]2(C)C(=C(C)[C@H]3[C@@H]4C[C@H](C)C[C@H](C)[C@H]4[C@H]4Oc5ccc(cc5)C[C@@H]5C(=O)NC(=O)[C@H]5C(=O)[C@H]2[C@@H]43)[C@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4469905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQFJAFJMOUIAAX-MYSPOGDCSA-N", "SMILES:CC1=C[C@@]2(C)C(=C(C)[C@H]3[C@@H]4C[C@H](C)C[C@H](C)[C@H]4[C@H]4Oc5ccc(cc5)C[C@]5(O)NC(=O)[C@]6(O[C@H]65)C(=O)[C@H]2[C@@H]43)[C@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4449755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKJXAQYJWFBJPH-HUZMGXJZSA-N", "SMILES:CC1=C[C@@]2(C)C(=C(C)[C@H]3[C@@H]4C[C@H](C)C[C@H](C)[C@H]4[C@H]4Oc5ccc(cc5)C[C@@H]5C(=O)NC(=O)[C@H]5C(=O)[C@@H]2[C@@H]43)[C@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5432875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCOCUDSNPRQWAF-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2cccc(C3CCCN3C(=O)c3n[nH]c4c3CCCC4)n2)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURLUGOHHNWXHQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2Sc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNLULADPUFYJJ-UHFFFAOYSA-N", "SMILES:O=C(c1cn(CCOc2ccc3c(c2)OCO3)c2ccc(Br)cc12)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGRAXDVQTOFMNS-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDHYORMPCLPUOI-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEGWGVYSFIPVAX-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCCn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJHWBUVHNPGJK-UHFFFAOYSA-N", "SMILES:O=C(c1cn(CCOc2ccc(Cl)cc2)c2ccc(Br)cc12)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRXZZNKXNVLOLZ-UHFFFAOYSA-N", "SMILES:O=C(c1cn(CCOc2ccc(F)cc2)c2ccc(Br)cc12)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOQCQZZKAAYLEU-UHFFFAOYSA-N", "SMILES:O=C(c1cn(CCOc2ccccc2F)c2ccc(Br)cc12)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICCCFIWOMYPNP-UHFFFAOYSA-N", "SMILES:NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDHTGFAQXSQOM-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZBFAIADYRJBBK-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJWGWJLCHFYATI-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21)NC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANOVCFUQCBDBSJ-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NC1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUVJNPGWLWISRO-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLFEPAZMGHABM-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPSXTCJOGVULII-UHFFFAOYSA-N", "SMILES:O=C(c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMPHAZIYGFLWJC-MRXNPFEDSA-N", "SMILES:Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2oc(N3CCCCC3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTFJOHRQMWEAZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1NC(=O)c2cc(NC3COC3)cc(NC(=O)c3csc4ccccc34)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQNJMCSONBNGHG-MRXNPFEDSA-N", "SMILES:Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCCCC3)cc(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVDIJHGKFXNJF-OAHLLOKOSA-N", "SMILES:Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCC(F)(F)CC3)c(C#N)c(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URJZSMKRGBGVSM-ZZLFBYIISA-M", "SMILES:CC(C)(O)c1ccccc1CC[C@@H](SCCCC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDRAWBMTIPBVCV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)n(C)c2SSc2c(-c3ccc(OC)cc3)nc(N)n2C)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZJIZRGTZFSQY-PFOMZQQNSA-N", "SMILES:C=C1CC/C=C(\\C)CC[C@@H]2C([C@H](C/C=C(\\C)COC(C)=O)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5423236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZPBMZKVJYTDIC-YJMHAQLESA-N", "SMILES:C=C1[C@@H]2[C@@H](OC(C)=O)OC=C([C@H](C/C=C(\\C)COC(C)=O)OC(C)=O)[C@H]2CC/C(C)=C/C[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5420149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQINEFJNQOSQIE-HFXGGMROSA-N", "SMILES:C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C([C@H](C/C=C(\\C)COC(C)=O)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRCALMHTBUNHFD-JJMCLIEFSA-N", "SMILES:C=C1[C@@H]2[C@@H](OC(C)=O)OC=C([C@H](C/C=C(\\C)COC(C)=O)OC(C)=O)[C@H]2CC[C@]2(C)O[C@H]2C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILXTXOSLFKHNO-SJIOPMIRSA-N", "SMILES:C=C1CC[C@H](OC(C)=O)C(=C)CC[C@@H]2C([C@H](C/C=C(\\C)COC(C)=O)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIWXTBJJVEYGM-VYXDICFBSA-N", "SMILES:CC1(C)CCC[C@]2(C)[C@H]3Cc4c(O)c(O)cc(C(=O)O)c4[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKQUDLWSSHHWTM-SSEXGKCCSA-N", "SMILES:CC[P@@](C)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(N4CCN(C)CC4)nc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKQUDLWSSHHWTM-PMERELPUSA-N", "SMILES:CC[P@](C)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(N4CCN(C)CC4)nc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDAIQDESQQKQL-YTTGMZPUSA-N", "SMILES:CC[P@](C)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROKBLWZACFERAW-GDLZYMKVSA-N", "SMILES:CC[P@@](C)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROKBLWZACFERAW-LJAQVGFWSA-N", "SMILES:CC[P@](C)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHRYMRWTWOLBPM-PMERELPUSA-N", "SMILES:CCC[P@](C)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(NCCN(C)C)nc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOJWQLNXCSQXKS-KYGWZODQSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1cc(O)c(O)c(Br)c1)=N\\O)/C(Cc1ccc(O)c(Br)c1)=N\\O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL476440", "category": ["biolink:ChemicalEntity"], "name": "BISAPRASIN", "xref": ["InChIKey:VVFUCWCIWIOTJW-QEYYFATHSA-N", "SMILES:O=C(NCCSSCCNC(=O)/C(Cc1cc(Br)c(O)c(-c2cc(C/C(=N\\O)C(=O)NCCSSCCNC(=O)/C(Cc3ccc(O)c(Br)c3)=N/O)cc(Br)c2O)c1)=N/O)/C(Cc1ccc(O)c(Br)c1)=N/O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL451635", "category": ["biolink:ChemicalEntity"], "name": "OBIDOXIME", "xref": ["InChIKey:HIGRLDNHDGYWQJ-UHFFFAOYSA-P", "SMILES:O/N=C/c1cc[n+](COC[n+]2ccc(/C=N/O)cc2)cc1"], "synonym": ["Obidoxime"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYBWHPGQBDFTQZ-UHFFFAOYSA-P", "SMILES:O/N=C/c1cc[n+](COC[n+]2ccccc2/C=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPACGYUGWYNSQL-RGVLZGJSSA-N", "SMILES:O/N=C/c1cc(Br)cc(CN2CCN(c3ccncc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTLZBGSDYMBRL-RGVLZGJSSA-N", "SMILES:O/N=C/c1cc(F)cc(CN2CCN(c3ccncc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGACFXXGOEVLW-UDWIEESQSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccccn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHKGGKAJLSFRF-RGVLZGJSSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CN2CCN(c3ccccn3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYHMJQXZMJVBKC-CIAFOILYSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCC(c3ccncc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWUMBSXJJLVIDI-SRZZPIQSSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CN2CCC(c3ccncc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALUSQOVFJVQNKF-UDWIEESQSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSHPPFSRBQWBQE-RGVLZGJSSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Cl)cc(/C=N/O)c3O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPOUXQINOBOLY-RGVLZGJSSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Br)cc(/C=N/O)c3O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXZHCROHJQQFEJ-SRZZPIQSSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYNFVNABZWXLPH-UFFVCSGVSA-N", "SMILES:O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Cl)cc(/C=N/O)c3O)CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWACNLSICAEMC-WSDLNYQXSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCC(c3ccc(F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCYLULFSVNLOSL-SSDVNMTOSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CN2CCC(c3ccc(F)cc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENUSXTXXYTTQG-WYMPLXKRSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLJICKNVWFIYMN-BHGWPJFGSA-N", "SMILES:O/N=C/c1cc(Br)cc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSGVQTKQZXKOBB-UDWIEESQSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccc(O)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBXIXAOEPSMINX-RGVLZGJSSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CN2CCN(c3ccc(O)cc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYXNHFZVPWUITB-FYJGNVAPSA-N", "SMILES:Cc1ccc(N2CCN(Cc3cc(C)cc(/C=N/O)c3O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZNMAGDIOAJBF-CIAFOILYSA-N", "SMILES:Cc1ccc(N2CCN(Cc3cc(Cl)cc(/C=N/O)c3O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRGHKIXJAZJJMN-CIAFOILYSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccccc3F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMUQKHVIKALQD-SRZZPIQSSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CN2CCN(c3ccccc3F)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQCPLCATYRHKU-CIAFOILYSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccccc3Cl)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBNUTGZBDTNCW-SRZZPIQSSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CN2CCN(c3ccccc3Cl)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32778", "category": ["biolink:ChemicalEntity"], "name": "TRIMEDOXIME", "xref": ["InChIKey:LJYGXPCCGGSATE-UHFFFAOYSA-P", "SMILES:O/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1"], "synonym": ["Trimedoxime cation", "Trimedoxime ion"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTDZSBJNWACMX-BHGWPJFGSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHRJRQPBNLJXGA-CIAFOILYSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccc(F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBLQYKHIQITSK-CIAFOILYSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFOZFYLDHZQFCX-SRZZPIQSSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CN2CCN(c3ccc(Cl)cc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPROMUPXMWINQ-CIAFOILYSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccc(Br)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUKJEBLAICDEH-SRZZPIQSSA-N", "SMILES:O/N=C/c1cc(Cl)cc(CN2CCN(c3ccc(Br)cc3)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQQESKHZWVCHS-DEDYPNTBSA-N", "SMILES:Cc1cc(/C=N/O)c(O)c(CN2CCN(c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQWXRLSVVVXBM-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2ccc(C(=O)O)cc2)nc2c1[nH]c(=O)n2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGAHWCSQVJSEL-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(C(=O)O)c2)nc2c1[nH]c(=O)n2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXIOLLAJEHAKFW-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(CCC(=O)O)nc2c1[nH]c(=O)n2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBYSCYKVURORTP-VOTSOKGWSA-N", "SMILES:NC(=O)c1nc(/C=C/C(=O)O)nc2c1[nH]c(=O)n2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFZJPXCAAKJCN-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(C(=O)O)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWAGEJZBFSOAEY-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(C(=O)O)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMULALVZAOMAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(C(=O)O)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKGUWHSPYFINSO-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(C(=O)O)c4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEQNKZSNOFLYFR-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(C(=O)O)c2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOKDYKRCQHYKNA-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(C(=O)O)c2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZPTDOIEHYRHC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(C(=O)O)c4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVOVJZDCNQHFJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(-c2cccc(C(=O)O)c2)nc2c1[nH]c(=O)n2-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBXABWEVNWUFM-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C(=O)O)cc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFLUTGMXKMXULQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C(=O)O)cc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVXROIBVRGHZFU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C(=O)O)cc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFFITXRGIZQLG-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C(=O)O)cc4)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDSZHUIPBINVDD-OUKQBFOZSA-N", "SMILES:CCNCc1nnnn1/C=C/c1cccc(-c2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLGFGDLTUVOME-ACCUITESSA-N", "SMILES:Cc1c(/C=C/n2nnnc2CN2CCCOC2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLOECURXVFYFX-PKNBQFBNSA-N", "SMILES:Cc1c(/C=C/n2nnnc2C(C)NCCCO)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1933972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFJXGDQSMGFTO-GSGGYZLZSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5441053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCQICSRFLFFOI-SWJKKVKRSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNc1ccc(Br)cn1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCOVXZTLXEJTR-AFKAFKMZSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=O)OCc1ccc(OC)cc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJSFFHJPJGNKU-RCHWXZQGSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=O)c1ccc(N)cc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMYIELENVQYAR-RCHWXZQGSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=O)c1ccc(Cl)cc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGNAEOYQYBXQV-XTBYCQASSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@@H](NNC(=O)c1ccc(C(F)(F)F)cc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGNAEOYQYBXQV-RCHWXZQGSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=O)c1ccc(C(F)(F)F)cc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDQAHPUSPDEKU-KKKFEAMSSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=O)c1cccnc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRPSJGXPAYTTML-JONBNJIRSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=O)c1ccco1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQOKGIEQFLPTQ-JONBNJIRSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=O)c1cccs1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMGXDBZRXQHMY-ZOYCBLEFSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)NC)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODFSPTUXPDLKDD-PRHGTMPRSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)N(C)C)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOFPEEFKBMCSGN-FQPCPTQHSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)NC(C)(C)C)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWZRYLXUVUWFB-RCHWXZQGSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)NC1CCCCC1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUUTOJRUVDZDQ-RCHWXZQGSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)NCCN1CCOCC1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXMPIKHWFCKBDY-RCHWXZQGSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)Nc1ccccc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRLHCDSOILOIOD-ZLZGQSQKSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)Nc1ccccc1C)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JATYUKLYXDABRX-ZCFAHCJMSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)Nc1ccc(C)cc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZJFWASEMBEGD-AFKAFKMZSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)Nc1ccc(CC)cc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFYGCGGLDPMEHE-RCHWXZQGSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)Nc1ccc([N+](=O)[O-])cc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXBXCSWBPBWXBH-PWYARQDSSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)Nc1ccccc1F)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYCDULVMRKYME-ZCFAHCJMSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)NCc1ccccc1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTZUUYMGKNGSU-NIDFJBIHSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)Nc1cccc2ccccc12)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHLHOGHMVTYEPU-KKKFEAMSSA-N", "SMILES:C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NNC(=S)NCc1ccco1)C1=CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5274791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWIZSSXPKAGKQX-UHFFFAOYSA-N", "SMILES:CC(=O)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVVINJIKWAZYBX-UHFFFAOYSA-N", "SMILES:CCC(=O)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAAHASMGYQYTFT-UHFFFAOYSA-N", "SMILES:CCCC(=O)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HASQAVMKGVOUGF-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSAGNRUUOQZCIC-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDMNHKXHIIZOIV-UHFFFAOYSA-N", "SMILES:CCCCC(=O)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMVQHGREPJRHZ-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBQMLVDAOARRR-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTJXPZAEMISLMF-UHFFFAOYSA-N", "SMILES:O=C(C1CCCC1)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGJXYNXDSAUTPR-UHFFFAOYSA-N", "SMILES:O=C(C1CCCCC1)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAEILKXHDYQKSB-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLLTASFSQVMHH-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)n2[se]c3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGPMAMQPMSHQRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFGUFEPXOUKXMP-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKBHMSSDATROY-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2nnc(-c3cn(Cc4ccccc4)c4ccccc34)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUNEUMTLBOSLL-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2nnc(-c3cn(Cc4ccccc4)c4ccccc34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKPFVAEXSRQOY-KDXMTYKHSA-N", "SMILES:Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CN3CCCC[C@H]3C(=O)O)cc2Cl)cccc1-c1cccc(OCCCN2CCC(O)CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMUCEIZXRSPMDZ-KDXMTYKHSA-N", "SMILES:Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3CCCC[C@H]3C(=O)O)cc2Cl)cccc1-c1cccc(OCCCN2CCOCC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBISBQDDMVNDIY-QCFAMHMHSA-N", "SMILES:Fc1cccc(-c2nccc(N[C@@H]3CO[C@@H]4[C@H]3OC[C@H]4NCc3ccccn3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCUJXIGBSWOFQ-ZWKOTPCHSA-N", "SMILES:CC(C)NC(=O)N[C@H]1CC[C@@H](c2nc(-c3ccc4ccccc4c3)no2)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5266711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWFXRZTHLBYHT-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CCCC1CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTVOBAMQXQEKX-UHFFFAOYSA-N", "SMILES:Cc1c(COc2cc(CNCC(O)CC(=O)O)ccc2C(F)(F)F)cccc1-c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYVNFNSFBIFFE-OUKQBFOZSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(CCCN1CCNc3ccccc31)c1c(C)cc(/C=C/c3ccc(N(C)C)s3)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAUUTIRDMJWJRN-CMDGGOBGSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(CCCO)c1c(C)cc(/C=C/c3cnc(N(C)C)s3)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSJWPTVGTQYYNP-VOTSOKGWSA-N", "SMILES:Cc1cc(/C=C/c2ccc(N(C)C)s2)n2c1C=C1C=CC=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWVWOUUPIERSK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)N(CCCN1CCN(CCO)CC1)c1cc(Cl)ccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSTSHCFQGVZGQX-UHFFFAOYSA-N", "SMILES:CCCCCCC(CCCCCC)C(=O)OCC1(CO)CC(=C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWHUSCOIXWHHH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(CCCCCCCCC)C(=O)OCC1(CO)CC(=C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL413585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHXHKCYATOMPHG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(=O)OCC1(CO)CC(=C(C)C)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHOPAKFMXWYLY-UHFFFAOYSA-N", "SMILES:CC(C)=C1CC(CO)(CO)OC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEQKAVEYSOLJX-XGUMIZKCSA-N", "SMILES:C/C(=C/CC[C@]1(C)[C@H]2CC3[C@H](C2)[C@]31C)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3586094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJYKYCDSGQGTRJ-GQYWAMEOSA-N", "SMILES:C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(/C)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5483080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFQRICOGCMAAP-TYYSKORPSA-N", "SMILES:C/C(=C/CC[C@]1(C)[C@H]2C[C@@H]3[C@@H](C2)[C@]31C)CN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGNQCCONQSAQJP-GJPLNNHUSA-M", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N2C(=O)N[C@@H](C)C2=O)CNC(=O)[C@H](CS(=O)(=O)[O-])NC(=O)/C=C/c2csc(n2)[C@H](Cc2ccc(O)cc2)NC(=O)C1=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJVCTAMISXYQW-QLNLKLJCSA-M", "SMILES:CCC[C@@H]1NC(=O)[C@@H](N2C(=O)N[C@@H](C)C2=O)CNC(=O)[C@H](CS(=O)(=O)[O-])NC(=O)/C=C/c2csc(n2)[C@H](Cc2ccc(O)cc2)NC(=O)C(=O)[C@H]([C@@H](C)CC)NC1=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHYFWPHGUKRDAI-DZYHNTRWSA-M", "SMILES:CC[C@@H]1NC(=O)[C@@H](N2C(=O)N[C@@H](C)C2=O)CNC(=O)[C@H](CS(=O)(=O)[O-])NC(=O)/C=C/c2csc(n2)[C@H](Cc2ccc(O)cc2)NC(=O)C(=O)[C@H]([C@@H](C)CC)NC1=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYDYDCANJQPGE-GJPLNNHUSA-M", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)CNC(=O)[C@H](CS(=O)(=O)[O-])NC(=O)/C=C/c2csc(n2)[C@H](Cc2ccc(O)cc2)NC(=O)C1=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKEGTELWGRRNOA-QLNLKLJCSA-M", "SMILES:CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)N)CNC(=O)[C@H](CS(=O)(=O)[O-])NC(=O)/C=C/c2csc(n2)[C@H](Cc2ccc(O)cc2)NC(=O)C(=O)[C@H]([C@@H](C)CC)NC1=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKYAMPHNFQEFK-DZYHNTRWSA-M", "SMILES:CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)N)CNC(=O)[C@H](CS(=O)(=O)[O-])NC(=O)/C=C/c2csc(n2)[C@H](Cc2ccc(O)cc2)NC(=O)C(=O)[C@H]([C@@H](C)CC)NC1=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCMXOQFOMBDMCH-BQWYKXAUSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3cc(Cl)c(O)cc23)N(C)C(=O)[C@H](CC(C)C)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5430373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVJOMUKOLKQENC-SCWWFWBCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3cc(Cl)ccc23)N(C)C(=O)[C@H](CC(C)C)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5430188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMLHJJVSHOCVAU-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N2CCc3cc4c(c5c3c2c1c1ccccc15)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5404812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJHIRJIKJCFFV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1OC)c1c3c4c(cc5c(c42)OCO5)CCN3C(=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFOMHAXOBRLRFH-CYBMUJFWSA-N", "SMILES:COc1cc(O)c2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFWCCZDSXIZJMF-CQSZACIVSA-N", "SMILES:COc1ccc2c(c1)C[C@H]1NCCc3cc4c(c-2c31)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5408625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMUITAHSZWMILL-GFCCVEGCSA-N", "SMILES:COc1cc(O)c2c(c1)C[C@H]1NCCc3c(OC)c4c(c-2c31)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5435367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDTZOTKRAGAZDC-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)c2c(cc3c4c(cc5c(c24)OCO5)CCN3C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL389400", "category": ["biolink:ChemicalEntity"], "name": "ATHEROSPERMIDINE", "xref": ["InChIKey:WLXLLQQGGGHOMA-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)c1nccc3cc4c(c-2c13)OCO4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5414196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKXUDPBGEOFXSH-INIZCTEOSA-N", "SMILES:COc1ccc(C[C@H]2c3c(ccc(OC)c3O)CCN2C)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5402370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGPJVVGBCSWPF-HNNXBMFYSA-N", "SMILES:COc1cc2c(c(O)c1OC)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL448891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIHXHTWYVOYYDC-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5420095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYYIPVHNYLMDMI-JXVZSMLKSA-N", "SMILES:COc1cc2c(c(O)c1OC)CC[N@+]1(C)Cc3c(ccc(O)c3OC)C[C@@H]21.[OH-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XREHKJMMHNBWDC-UHFFFAOYSA-O", "SMILES:COc1cc2c(c(O)c1OC)CC[n+]1cc3c(OC)c(O)ccc3cc1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5434024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLNLCVMHJBPLJ-UHFFFAOYSA-O", "SMILES:COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(O)ccc3cc1-2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5427350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXTAGKXBNNPQKJ-CYBMUJFWSA-N", "SMILES:COc1cc(O)cc2c1-c1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZDRGPWEVYBESE-HNNXBMFYSA-N", "SMILES:COC1=C(CC(=O)CCc2ccccc2)C(=O)O[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL501411", "category": ["biolink:ChemicalEntity"], "name": "SPINOSYN A", "xref": ["InChIKey:SRJQTHAZUNRMPR-UYQKXTDMSA-N", "SMILES:CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5413827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASGVJGIHURJLBS-KQVDEUJZSA-N", "SMILES:CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)CC(O)CN3CCNCC3)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVGTUBOPTVNMR-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(cnn5C)c4)c4cc(-c5c[nH]nc5C)c(Cl)cc43)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXEHPDSQEUVXCU-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(cnn5C)c4)c4cc(-c5cn[nH]c5)ccc43)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPURLOACWDEKN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(C(=O)Nc4ccc5c(cnn5C)c4)c4cc(-c5cn[nH]c5)ccc43)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYLZHHCYSDMOND-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(CC(n3nc(C(=O)Nc4ccc5cnn(C)c5c4)c4cc(-c5cn[nH]c5)ccc43)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMRWITUJPGPGGY-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CC2(CC(n3nc(C(=O)Nc4ccc5c(cnn5C)c4)c4cc(-c5cn[nH]c5)ccc43)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZRMWICQFXPLHJ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)cc1Cl)c1cc2c(Oc3ccc(F)cc3)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDHTGWRIRHXDS-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)cc1Cl)c1cc2cc(Oc3ccc(F)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSDYSEYDXNFFEC-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)cc1Cl)c1cc2ccc(Oc3ccc(F)cc3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOPOKOWNRFERQ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)cc1Cl)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTAFAOFIQUXGCW-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccccc1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLPTJBNSZHVDD-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccccc1Cl)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEODHIZLYVLGDB-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITXYIQWTUNFHR-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)NC(=O)c2cc3cc(Oc4ccc(Cl)c(Cl)c4)ccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEMGDDLDXJGHQC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(S(=O)(=O)NC(=O)c2cc3cc(Oc4ccc(Cl)c(Cl)c4)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYGZEUABDPNPLO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(S(=O)(=O)NC(=O)c2cc3cc(Oc4ccc(Cl)c(Cl)c4)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDSOJROXGJTKI-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQDVINNUTMNUJW-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXHVTQEPILXSG-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTMIVUUSJRISFQ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BONGPDVRQLSPFY-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHQOZZGRYBFWOA-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLLOKLIAXWOGKM-UHFFFAOYSA-N", "SMILES:Cc1nc(Cl)sc1S(=O)(=O)NC(=O)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQSBDAIUOCXJHV-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccn(Cl)n1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGQGFJDTPJSNMB-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1S(=O)(=O)NC(=O)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHRRBLRUHWIRED-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccccn1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFEZZHHBRROFQZ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1csc2ccccc12)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEHBJHSPSCCVEH-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc2ncsc2c1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNKQWFTZHGXIA-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc2c(c1)OCC2)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSNYJVWJXYJXIF-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXMJKIGWEBEJAY-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)Cc1noc2ccccc12)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBVNKYABASNBOL-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1sccc1Cc1ccccc1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSTGSRGXHNQVSI-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1sc(Cl)cc1Cc1ccccc1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKJXLKUONBXDOG-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cc2cc(Oc3ccc(Br)c(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCNAJHFEHCRGY-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cc2cc(Oc3ccc(Br)c(F)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFFXVIFPLTYPHM-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cc2cc(Oc3ccc(Br)cc3F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXJFQNZZYDAWIY-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cc2cc(Oc3ccc(Cl)cc3Cl)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQTJGOXKWKVPAM-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cc2cc(Oc3ccc(Cl)cc3Br)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLWELXEHFKRCM-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cc2cc(Oc3cccc(Cl)c3Br)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWIDUNAHRBYXFL-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cc2cc(Oc3ccc(Cl)cn3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFQOTVNELKQHDO-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cc2cc(Oc3ccc(Cl)c(Cl)c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTVDUWIAZWYTCP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(S(=O)(=O)NC(=O)c2cc3cc(Oc4ccc(Cl)c(Cl)c4)ccc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNDZMAZGQZIKMV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(S(=O)(=O)N(C)C(=O)c2cc3cc(Oc4ccc(Cl)c(Cl)c4)ccc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPPNACVSRVFADT-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Oc2ccc3cc(C(=O)NS(=O)(=O)c4ccc(Cl)cc4Cl)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYXFNSRGLVKZRV-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2ccc(C(F)(F)F)nc2n2ncc(C3CC3)c12)Nc1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEDYMWGCSRKJQB-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2ccc(C(F)F)nc2n2ncc(C3CC3)c12)Nc1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJFPTYOHFDLOH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2c(=O)n(CC(=O)Nc3ccc(F)cn3)c3c(C4CC4)cnn3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXNYPOEZQWTJX-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2ccc(C3CC3)nc2n2ncc(C3CC3)c12)Nc1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTGISWZIPPEVQE-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2ccc(C(F)(F)F)nc2n2ncc(C(F)F)c12)Nc1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDHDOBJQRWKAI-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=O)c2sc(C3CC3)nc2n2ncc(C3CC3)c12)Nc1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTMTVRCCLOAJST-LJQANCHMSA-N", "SMILES:COc1ccc(CNC(=O)C2CCN([C@H](C)c3cccc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQUQYCSENVAEU-LJQANCHMSA-N", "SMILES:COc1cccc(CNC(=O)C2CCN([C@H](C)c3ccc4ccccc4c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKTWHWUIKAJAT-OAHLLOKOSA-N", "SMILES:Cc1ccc(CN)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL559234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBDAZDNSVDATL-MRXNPFEDSA-N", "SMILES:CNCc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKOMJNQUWFEGM-CYBMUJFWSA-N", "SMILES:COc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEPHGMGFFNMVBA-CYBMUJFWSA-N", "SMILES:C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKGCJIFGWFQHEJ-CYBMUJFWSA-N", "SMILES:C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSGVFIHSKVXGMF-CYBMUJFWSA-N", "SMILES:C[C@@H](NS(=O)(=O)c1cccc(N)c1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOFYZYWZNYEMSJ-LJQANCHMSA-N", "SMILES:CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](C)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLKHAXKZUMNSC-VGOFRKELSA-N", "SMILES:C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKLKHAXKZUMNSC-VGSWGCGISA-N", "SMILES:C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGSSLIOTNAZTH-ICACTRECSA-N", "SMILES:CC[C@@]1(OC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIXXFYHRVMZNGP-BGOLNKOXSA-N", "SMILES:CC[C@@]1(OC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBQGTIOHGVOGKB-OUTSHDOLSA-N", "SMILES:CC[C@@]1(OC(=O)CNC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSOBJWHDWRFJDS-LPUHQVAKSA-N", "SMILES:CC[C@@]1(OC(=O)CNC(=O)C(NC(C)=O)N2CCC[C@H]2C(=O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPRJSBRUZMTHA-UBOZLPQGSA-N", "SMILES:CC[C@@]1(OC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWAWVKOEJLYJL-VWLOTQADSA-N", "SMILES:CCC(=O)NCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRUWJSYHRSCNCU-SANMLTNESA-N", "SMILES:CCCC(=O)NCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTYGUGGEVVLOCC-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFQZPFQYXMZKV-UHFFFAOYSA-N", "SMILES:CCCCc1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQRRNBAVEHEQPF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccsc3)cc(C34CC5CC(CC(C5)C3)C4)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRAFUMMICTAKQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLCOJAHGOMTYHS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccsc3)cc(C3CCCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLYORHWJCBLQOX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccsc3)cc(CC3CCCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCOHZYNPHMOSFJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccccc3)cc(CC3CCCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKHIGARNMCPTG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccncc3)cc(CC3CCCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSASZKDHQFRXLR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3cccnc3)cc(CC3CCCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRUUANPFIGLOT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccccn3)cc(CC3CCCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUWBVBQIIXHWNA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccc4ccccc4n3)cc(CC3CCCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCUMWMXTSWGYRO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccc(=O)n(C)c3)cc(CC3CCCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFWEUQZULXUCW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccc(C(N)=O)cc3)cc(CC3CCCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKFJLUSGVVOJET-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccc(C#N)cc3)cc(CC3CCCCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHMYSMSWOPTUHS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(CC3CCCCC3)nc(N3CCN(C)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRDGGMIPIKLIE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(NC3CCCCC3)nc(N3CCN(C)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBRPXUPIQJZBT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(CC3CCOCC3)nc(N3CCN(C)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLTVWXKORHETG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C3CCOCC3)nc(N3CCN(C)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTJDKUPEDCVKO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(CC3CCOCC3)nc(N3CCNCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVBJOQPUPMRJGX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(-c3ccc(O)cc3)cc(CC3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUWOLOURFHFHRS-UHFFFAOYSA-N", "SMILES:COCc1ccc(-c2cc(CC3CCOCC3)nc(N3CCN(C)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJZZEGGXTMYADP-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(-c2cc(CC3CCOCC3)nc(N3CCN(C)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJVGZACAADGCBZ-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1S(=O)(=O)N1CC(c2nc(-c3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGLFDZNBKFZCQY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc2cccnc12)N1CC(c2nc(-c3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYJLDNIBTMAYRB-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1S(=O)(=O)N1CC(c2nc(-c3ccsc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJPMDRCTZRECK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccccc1S(=O)(=O)N1CC(c2nc(-c3ccsc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPKGJPZZMXWWFJ-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1S(=O)(=O)N1CC(c2nc(-c3ccc(F)cc3Cl)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTCVBXDRCGLBN-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1S(=O)(=O)N1CC(c2nc(-c3ccc(F)s3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJVGZACAADGCBZ-ZBJDZAJPSA-N", "SMILES:[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1S(=O)(=O)N1CC(c2nc(-c3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFHMSQWYRSVMF-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc2c1OCCC2)N1CC(c2nc(-c3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZNRODRHNFWQNR-UHFFFAOYSA-N", "SMILES:Cc1ccc2cccc(S(=O)(=O)N3CC(c4nc(-c5ccc(F)cc5)no4)C3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTNCGKOJJKUKCQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1ccc(NC(=S)Nc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHNMWBSMYRNDL-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMVYKXZPFRGNJG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDKXNPIQKVJLJV-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWZRKCQQOPHMS-BZRZBQBMSA-M", "SMILES:C=CC[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C)(C(=O)C(C(C)=O)=C1[O-])C2=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHTPHFOVRWRJNL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)c(Cl)c2)cc(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKZGVQHLMKRBE-UHFFFAOYSA-N", "SMILES:O=C(O)c1c[nH]cc(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZBTUFVTQBQRFT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)cc(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3819452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFOKXAMVNGWCE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)cc(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGFBJZJIXJDDDV-UHFFFAOYSA-N", "SMILES:O=c1cc(Nc2ccc(-c3ccc(Cl)cc3)cc2)[nH]c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4550191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZORDMEUNTDFZTJ-UHFFFAOYSA-N", "SMILES:O=c1cc(Nc2ccc(-c3ccc(O)cc3)cc2)[nH]c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQERXFZNWACUBH-UHFFFAOYSA-N", "SMILES:O=c1cc(Nc2ccc(-c3cccc(O)c3)cc2)[nH]c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYHGQLCBWRTFD-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(Nc3cc(=O)n(O)c(=O)[nH]3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWSDOROKSQLGM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(Nc3cc(=O)n(O)c(=O)[nH]3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSSIMDTXVXYRT-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-c1cccc(Nc2cc(=O)n(O)c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4440667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSCQADWRWOEQGM-UHFFFAOYSA-N", "SMILES:Cn1c(Nc2ccc(-c3cccc(C#N)c3)cc2)cc(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKUYXXPXIVHQHS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(c2ccccc2F)C(=O)N1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUDPOCQTKSTBFV-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(-c3ccccc3)ccc2c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNWNTVVLCCOLEQ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sccc2c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXFUJJRADMGVQA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sc3c(c2c(=O)n1O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL362842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXRHKKCEYODJB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sc3c(c2c(=O)n1O)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKLZVUGQLFTMP-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sc3c(c2c(=O)n1O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTAKESMIZIEFPS-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sc3c(c2c(=O)n1O)CCN(Cc1ccccc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROXJHRFULVTUSW-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sc(-c3ccccc3)cc2c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLHSZVGHNVLEEJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2sc(-c3ccc(Cl)cc3)cc2c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUWOFYPBMFNQL-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccsc2c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJOSHLQCVXEGBP-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c3c(sc2c(=O)n1O)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APAFDQYWRNHYQA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c3c(sc2c(=O)n1O)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL183062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUGRTFPCHUPOTH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(-c3ccccc3)sc2c(=O)n1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQWRHOZEJUNMH-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2nc(Cl)c3cccnc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYYXVHVBAPQATB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2nc(-c3ccccc3)c3cccnc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJESHVHCQSBGRH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)c1nc(NCCO)c2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKFWCXVYCDKDU-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)CC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL109569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUFIPDIZUSGJE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(=O)c(O)c(C(=O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPHNLROPKUDMST-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(F)cc1)C(=O)CC(=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSACGCINQCCHBD-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)CC(=O)c1ccc(N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGYWBDRYSUCFQD-UHFFFAOYSA-N", "SMILES:CC(C)c1cn(COCc2ccccc2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYOXMJLGVXLZDS-UHFFFAOYSA-N", "SMILES:CC(C)c1cn(COCc2ccccc2)c(=O)n(O)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL19464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIPZTAZTLJESD-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)CC(=O)c1cccc(Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL288097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZPBVSQWSQZLOP-UHFFFAOYSA-N", "SMILES:O=c1c2cc(Cc3ccccc3)ccc2oc2ccc(O)c(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL32865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPCIKHDGHZMJR-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2ccccc2)cc(CN2CCCS2(=O)=O)c1)c1ncc2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL199145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPDHYVMIWYSBH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)c1ncc2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALABLWWVUGMWGK-UHFFFAOYSA-M", "SMILES:CCCCCCCCCc1nc(-c2ccc(-n3cc[n+](C)c3)cc2)no1.[I-]"]}
{"name": "Sphingosine-1-phosphate transporter SPNS2", "xref": ["CHEMBL.TARGET:CHEMBL5465270"], "id": "UniProtKB:Q8IVW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMCHMDMKDQWERF-UHFFFAOYSA-M", "SMILES:CCCCCCCCCCc1nc(-c2ccc(-n3cc[n+](C)c3)cc2)no1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRJUOPKZASPRA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2cn(CC)c(CCCN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5222112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTITRMWGPJCFJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(-c2noc(CCCN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPUJOHOSNNFEY-VCHYOVAHSA-N", "SMILES:Cc1oc(-n2c(C)cc(/C=C(\\C#N)c3nc4ccccc4[nH]3)c2C)c(C#N)c1C"]}
{"name": "ATP-dependent RNA helicase DHX33", "xref": ["CHEMBL.TARGET:CHEMBL5465267"], "id": "UniProtKB:Q80VY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGIMQJMGWCFYPE-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(=O)c3cc(C)n(-c4sc(C)cc4C#N)c3C)[nH]c2c1"]}
{"name": "Probable ATP-dependent RNA helicase DHX35", "xref": ["CHEMBL.TARGET:CHEMBL5465358"], "id": "UniProtKB:Q9H5Z1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHTVVFDZSYXSOC-MDWZMJQESA-N", "SMILES:CC(C)CCCNCCNC(=O)/C=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEVUBWQGQBWFHZ-UHFFFAOYSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(NCC4CCNCC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJULQJPNQAZDF-UHFFFAOYSA-N", "SMILES:CC1(COc2cccc(Nc3ncc(C(F)(F)F)c(NCC4CCNCC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXQDZPDPGBEIG-UHFFFAOYSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(NC4CCNCC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZXMPZBADWLLW-UHFFFAOYSA-N", "SMILES:CC1(COc2cccc(Nc3ncc(C(F)(F)F)c(NC4CCNCC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMEFVDWFYATDHD-OAHLLOKOSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCCNC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIJUFQYOLKHXTE-OAHLLOKOSA-N", "SMILES:CC1(COc2cccc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCCNC4)n3)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRYCTADUPFQNCH-UHFFFAOYSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N4CCC(N)CC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBINTOQRWVBPMT-UHFFFAOYSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N4CCC(O)CC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCOYASJPVBKQRE-AWEZNQCLSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N4CCC[C@H](N)C4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCOYASJPVBKQRE-CQSZACIVSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N4CCC[C@@H](N)C4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBZSDQLEGFNGSL-UHFFFAOYSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N4CCNCC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLGNXZXYCBAHS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(Nc3ccc(OCC4(C)COC4)cc3)ncc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFWMOVUXZOFPL-UHFFFAOYSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N4CCOCC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPEDGTIAOONCJZ-GASCZTMLSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPEDGTIAOONCJZ-SHTZXODSSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@H](N)CC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRANDNHQYJZJJN-FZNQNYSPSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](O)CC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRANDNHQYJZJJN-KOMQPUFPSA-N", "SMILES:CC1(COc2ccc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@H](O)CC4)n3)cc2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKBKYEKTRHLUQD-UHFFFAOYSA-N", "SMILES:CCNc1nc(N)nc2cc(-c3cc[nH]n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSNOOYRDTRCXHC-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCn2cccn2)c2ccc(-c3cc[nH]n3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAOGDJOWXAZKRL-UHFFFAOYSA-N", "SMILES:CCNc1nc(N)nc2nc(-c3cc[nH]n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDIQVRNFUIGBC-UHFFFAOYSA-N", "SMILES:CCNc1nc(N)nc2cc(-n3cccn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWRQITGIQFHSMR-UHFFFAOYSA-N", "SMILES:CCNc1nc(N)nc2cc(-n3cccn3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPCPUXKQMDYGF-UHFFFAOYSA-N", "SMILES:CCNc1nc(N)nc2nc(-n3cccn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMMMYGRYBXOOP-UHFFFAOYSA-N", "SMILES:CCNc1nc(N)nc2nc(-c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFNVKLEAJLWAR-UHFFFAOYSA-N", "SMILES:CCNc1cc(N)nc2cc(-n3cccn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095170", "category": ["biolink:ChemicalEntity"], "name": "BMS-986299", "xref": ["InChIKey:UHNRLQRZRNKOKU-UHFFFAOYSA-N", "SMILES:CCN(Cc1nc2c(N)nc3cc(-c4cc[nH]n4)ccc3c2[nH]1)C(C)=O"], "synonym": ["Bms-986299"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKWEZPXMHPRSE-UHFFFAOYSA-N", "SMILES:Nc1cc(NCCn2cccn2)c2ccc(-n3cccn3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRKUOIJUAJQGNJ-UHFFFAOYSA-N", "SMILES:Cn1nccc1CNc1nc(N)nc2nc(-c3cc[nH]n3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAANRKQCUPNJHU-UHFFFAOYSA-N", "SMILES:Cn1ccc(CNc2nc(N)nc3nc(-c4cc[nH]n4)ccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCFGCHIOGNEPPR-UHFFFAOYSA-N", "SMILES:Cn1cc(CNc2nc(N)nc3nc(-c4cc[nH]n4)ccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWIJYFYUMRRRF-UHFFFAOYSA-N", "SMILES:Nc1nc(NC2CC2)c2ccc(-c3cc[nH]n3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELGONWHRLESFK-UHFFFAOYSA-N", "SMILES:CC1(Nc2nc(N)nc3nc(-c4cc[nH]n4)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPJIDCHCYGPIK-UHFFFAOYSA-N", "SMILES:CC1(Nc2nc(N)nc3cc(-c4cc[nH]n4)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQCCWHOVLLBKPH-UHFFFAOYSA-N", "SMILES:Cn1ccc(CNc2nc(N)nc3cc(-c4cc[nH]n4)ccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWTAFXRWZOLAGF-ACWBXSRCSA-N", "SMILES:C/C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBXIKFCETHMKIM-PXGKMUFZSA-N", "SMILES:C=CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFDRCNVXODPRBV-MKLGWDPUSA-N", "SMILES:CC/C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQZUDLDOITYNK-AKLJNPKHSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)/C=C/c1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDAYZDRPUNEAO-RMHLNKJASA-N", "SMILES:C/C=C(\\C)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUIHYFSEIIXODP-MIWUHUGISA-N", "SMILES:CC(C)=CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCATMQBVARCIE-DOZHSWJESA-N", "SMILES:CC#CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXUWXQIJGOAIAW-GKBUBGPGSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)/C=C/C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTJYLOXJIWUNRD-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccsc2)cc1NC(=O)c1cn(Cc2ccc(C(=O)O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMZHZFSFAFCTGV-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccsc2)cc1NC(=O)CCc1cn(CCc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYAJVQXGWVKCW-UHFFFAOYSA-N", "SMILES:Nc1ccc(-n2cc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHFMRBJOQEORE-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1cn(Cc2ccc(C(=O)O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCSFFYNUVGLBIZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)CCc1cn(CCc2cccc([N+](=O)[O-])c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVALICQWQGPBOV-UHFFFAOYSA-N", "SMILES:Nc1ccc(-n2cc(-c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHFUUDLAHFSGJH-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CC(=O)Nc3ccc(F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFEKCJMESSKKIJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)Cn1cc(-c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFEUZTVQNJYKMP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCc3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKRBAGNCPWIGQG-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCc3ccccn3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPBDYDJYOQAWFD-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCN3CCOCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJDULZRBXULWNW-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CC(=O)c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXCWWNDNKACGS-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(C[S+]([O-])c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPCYAADCHZLJQP-UHFFFAOYSA-N", "SMILES:COc1ccc(CCn2cc(-c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATOIPRLETBNORP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCc3ccc([N+](=O)[O-])cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKPHTEVIQGSUMQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CS(=O)(=O)c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSLSSGKRNORCG-UHFFFAOYSA-N", "SMILES:Cc1csc(CCn2cc(-c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cc3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUKPBXWQSUMSH-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(Cc3ccc(C(=O)O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSQISFDCMBNOCY-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCc3ccc(C(=O)O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOVOYZTUWWHSW-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(Cc3ccc4ccccc4n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZIHMCVKZYBOQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1cccc(-c2cn(CCN3CCOCC3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFQWZPKNRUSJM-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1cccc(-c2cn(CCCCC(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQMWLGPRZTXBY-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1cccc(-c2cn(CCCCCC(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLROCMHKARSIMP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1cccc(-c2cn(Cc3ccc(C(=O)O)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFIXXGYBHNSJC-UHFFFAOYSA-N", "SMILES:Nc1ccc(-n2cc(-c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYCWFEHUIFXXSV-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)Cn1cc(-c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZOCIQNZEGMEIR-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCc3ccccc3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLDQEUTVUCZAAX-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCc3ccccn3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QATHPGZNVCDERH-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCN3CCOCC3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBPNTKCPWTKIX-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(C[S+]([O-])c3ccccc3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWXOPLMMZFHMML-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CS(=O)(=O)c3ccccc3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWOCPDLXVCNLHD-UHFFFAOYSA-N", "SMILES:Cc1csc(CCn2cc(-c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)s3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMVMUQYINCJAHM-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCCCC(=O)O)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTTGMDWNHOCUIW-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCCCCC(=O)O)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEPZUVNFKNVBKM-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(Cc3ccc(C(=O)O)cc3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLMBQMKIEPPKRB-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(CCc3ccc(C(=O)O)cc3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSOZBMHQMQNNNF-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(-c2cn(Cc3nc4ccccc4[nH]3)nn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBMZVAVLUKMOBY-UHFFFAOYSA-N", "SMILES:CCC(Cc1ccc(OC)cc1)=C(c1ccc(O)cc1)c1ccc(OCCCN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232279", "category": ["biolink:ChemicalEntity"], "name": "NEMORUBICIN", "xref": ["InChIKey:CTMCWCONSULRHO-UHQPFXKFSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N2CCO[C@H](OC)C2)[C@H](O)[C@H](C)O1"], "synonym": ["Nemorubicin", "Nemorubicine", "Nemorubicina"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5314360", "category": ["biolink:ChemicalEntity"], "name": "ACONITINE", "xref": ["InChIKey:XFSBVAOIAHNAPC-NPVHKAFCSA-N", "SMILES:CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC"], "synonym": ["Aconitine", "Aconitinum", "NSC-56464", "NSC-759627", "Aconitine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL440125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPFAIGJJDNPII-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c(cc4cc5c(cc24)OCO5)C(=O)OC3)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5427087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKUUASGZWJHLY-UHFFFAOYSA-N", "SMILES:CCc1nnc2n1N=C(c1ccc(OC)c(OC)c1)CS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFGSIUWIXSPRPE-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJHBUUUKISBOF-UHFFFAOYSA-N", "SMILES:CCc1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRLMQQBSFHQUAD-UHFFFAOYSA-N", "SMILES:CCC1=Nn2c(nnc2-c2ccc(OC)c(OC)c2)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWXZECRXQVYNBM-UHFFFAOYSA-N", "SMILES:CCC1=Nn2c(nnc2-c2cc(OC)c(OC)c(OC)c2)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSRBBBXCWKKKFZ-UHFFFAOYSA-N", "SMILES:CCC1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSGSLUETNNLMY-UHFFFAOYSA-N", "SMILES:CCC1=Nn2c(nnc2-c2cccc(Cl)c2)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXLZRUHBLJIAV-UHFFFAOYSA-N", "SMILES:CCC1=Nn2c(nnc2-c2ccc(Cl)c(Cl)c2)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPUYSUDWZOTRGI-UHFFFAOYSA-N", "SMILES:CCC1=Nn2c(nnc2-c2cccc(Cl)c2Cl)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLEIACRTUMGFMN-UHFFFAOYSA-N", "SMILES:CCC1=Nn2c(nnc2-c2ccc(Cl)cc2Cl)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGSEJOZUFQFCX-UHFFFAOYSA-N", "SMILES:CCC1=Nn2c(nnc2-c2cc(Cl)ccc2Br)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWRWDNLAUXHEFZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)C1=Nn2c(nnc2-c2ccc(Cl)cc2Cl)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUKRQQLICQMUHK-UHFFFAOYSA-N", "SMILES:CC1=Nn2c(nnc2-c2ccc(Cl)cc2Cl)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOKGNNLNBPXQR-UHFFFAOYSA-N", "SMILES:CC(C)C1=Nn2c(nnc2-c2ccc(Cl)cc2Cl)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZHPLGIUTZFIS-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1=Nn2c(nnc2-c2ccc(Cl)cc2Cl)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJFWFEBAYYUWCO-UHFFFAOYSA-N", "SMILES:FC(F)(F)C1=Nn2c(nnc2-c2cc(Cl)ccc2Br)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBNVDMZSWSQEP-UHFFFAOYSA-N", "SMILES:CC1=Nn2c(nnc2-c2cc(Cl)ccc2Br)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIGNWXQXZZEED-UHFFFAOYSA-N", "SMILES:CC(C)C1=Nn2c(nnc2-c2cc(Cl)ccc2Br)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQNAYICOOJCBGK-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1=Nn2c(nnc2-c2cc(Cl)ccc2Br)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIRQGWYHZJJFJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)c(-c2nnc3n2N=C(C(C)C)CS3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHGGWIDMKFKCOX-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(-c2nnc3n2N=C(C(C)C)CS3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOJOKQETCQCNW-UHFFFAOYSA-N", "SMILES:COc1cc(Br)c(-c2nnc3n2N=C(C(C)C)CS3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJPFYILVQYNHFV-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2nnc3n2N=C(C(C)C)CS3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCMYQQVNFEKLJ-UHFFFAOYSA-N", "SMILES:CC(C)C1=Nn2c(nnc2-c2cc(Cl)ccc2Cl)SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKCVOPRVJVSIK-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1cn(Cc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUSFOPKCQPEPCC-UXBLZVDNSA-N", "SMILES:N#CC(C#N)=C/C=C/c1cn(Cc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDZQLDSLTPDOSW-MGAJPLNCSA-N", "SMILES:N#CC(C#N)=C/C=C/C=C/c1cn(Cc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BABOZPFZHGSHOB-RUDMXATFSA-N", "SMILES:N#CC(C#N)=C/C=C/c1cccc2c1ccn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYYGGALMMNBOPQ-ZWYCGJAQSA-N", "SMILES:N#CC(C#N)=C/C=C/C=C/c1cccc2c1ccn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBYPVXZFTBKPDX-PNNFKRDLSA-N", "SMILES:N#CC(C#N)=C/C=C/C=C/c1ccc2c(ccn2Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRTMJMCZTXWTCF-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1ccc2ccn(Cc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQRAIICKIPHAT-QPJJXVBHSA-N", "SMILES:N#CC(C#N)=C/C=C/c1ccc2ccn(Cc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQLEDFPONJSDB-PNNFKRDLSA-N", "SMILES:N#CC(C#N)=C/C=C/C=C/c1ccc2ccn(Cc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOLLXFUEVRCEAN-RUDMXATFSA-N", "SMILES:N#CC(C#N)=C/C=C/c1cccc2ccn(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKSGATNIAQTKIG-ZWYCGJAQSA-N", "SMILES:N#CC(C#N)=C/C=C/C=C/c1cccc2ccn(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITDYKITUTOFAKT-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1cn(Cc2ccccc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXWYHUQSSDRPD-RUDMXATFSA-N", "SMILES:N#CC(C#N)=C/C=C/c1cn(Cc2ccccc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULNEWNRYDONGE-ZWYCGJAQSA-N", "SMILES:N#CC(C#N)=C/C=C/C=C/c1cn(Cc2ccccc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIARGDXJLJVAH-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1cn(Cc2cccnc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIKJQTTZBYWMNX-XVNBXDOJSA-N", "SMILES:N#CC(C#N)=C/C=C/c1cn(Cc2cccnc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPAOSCPUIWQRP-RJTULKDBSA-N", "SMILES:N#CC(C#N)=C/C=C/C=C/c1cn(Cc2cccnc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXWOKQTAHIJMK-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1cn(Cc2ccc(F)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTMYFSCQEGCHIT-LFIBNONCSA-N", "SMILES:COC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMFFOURMHQBKKZ-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1cn(Cc2ccc(I)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMDENPWWCBZMY-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1cccc2c1ccn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXBJKPIRIRCMOO-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1ccc2c(ccn2Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWZXNNDPGFKUJC-QPJJXVBHSA-N", "SMILES:N#CC(C#N)=C/C=C/c1ccc2c(ccn2Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUSYWKMAHNYAIJ-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1cccc2ccn(Cc3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAAXRHGUHWGJIM-RCCKNPSSSA-N", "SMILES:N#C/C(=C\\c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL303903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCGMQWDGOQQAGN-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYGQGPCPWTBET-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc3ccnc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBEAUFTXFRYMNJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc3ccnc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLOCUXDMWGGKD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nccc3nc(Nc4ccc(C)c(O)c4)nn23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHXNYNVXRKFVPV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nccc3nc(Nc4cccc5[nH]ccc45)nn23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDLQGSXVKLTOAD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nccc3nc(Nc4ccc5[nH]ccc5c4)nn23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEZRTNWKMKTJT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nccc3nc(Nc4cccc5c4ccn5C)nn23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYZHBVVQGBRSCB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nccc3nc(Nc4ccc5c(ccn5C)c4)nn23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2062804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZKSQIFOZZIAQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEWLGWTZHROAQ-WWTANLFGSA-N", "SMILES:CC(=O)N/C=C/c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](NC(C)=O)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5421699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCWYFKMEMPTOQC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)CCn1c-2c(-c2ccc(O)c(O)c2)c2c3cc(O)c(OC)cc3oc(=O)c21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5289972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHHKZGXANWIJQ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)c(O)cc2c2c(-c3ccc(O)c(O)c3)cn(CCc3ccc(O)c(O)c3)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5438108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZOVHKKRFLCEZ-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(O)c(O)c2)=C2C(=C(c3ccc(O)c(O)c3)C(=O)N2CCc2ccc(O)c(O)c2)c2cc(O)c(O)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5421148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZOWIOVOZVPXCJ-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(O)c(O)c2)=c2c(c3c(n2CCc2ccc(O)c(O)c2)=C(c2ccc(O)c(O)c2)C(=O)c2cc(O)c(O)cc2-3)-c2cc(O)c(O)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5421211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULRUGHAJIARIV-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]c2c(=O)oc3cc(O)c(O)cc3c2c1-c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5404645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZVVHVOQOOOKNB-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)c(O)cc2c2c3c4cc(O)c(O)cc4oc(=O)c3n(CCc3ccc(O)c(O)c3)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5436499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXUQHCAPTKLAIQ-UHFFFAOYSA-N", "SMILES:O=C1C(c2ccc(O)c(O)c2)=c2c(c3c(n2CCc2ccc(O)c(O)c2)=C(c2ccc(O)c(O)c2)C(=O)c2c-3ccc(O)c2O)-c2cc(O)c(O)cc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5439936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVYDEWJGSOBQD-MDGVGCGJSA-N", "SMILES:CO[C@H](CNC(=O)/C=C/c1ccc(O)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL509309", "category": ["biolink:ChemicalEntity"], "name": "AZADIRACTIN", "xref": ["InChIKey:FTNJWQUOZFUQQJ-NDAWSKJSSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C(=O)OC)CO[C@H]3[C@@H](O)[C@@](C)([C@]45O[C@@]4(C)[C@H]4C[C@@H]5O[C@@H]5OC=C[C@@]54O)[C@H]4[C@]1(CO[C@]4(O)C(=O)OC)[C@@H]32"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4292818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGGSEBXTKMTNBW-CQSZACIVSA-N", "SMILES:Oc1cc2c(cc1O)[C@@H](Cc1ccccc1)NCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4293893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWOFOGQFTHJPAW-UHFFFAOYSA-N", "SMILES:OCc1ccc(C2=NCCc3cc(O)c(O)cc32)o1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4289414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWCQVMIYUGOTLG-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)CCN=C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5438999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMMTEAKJOLCQC-UHFFFAOYSA-N", "SMILES:O=C1NCCc2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXOTAMURJNXKK-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)n1ccc2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRINUVHNQLUQK-ZZXKWVIFSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)n1ccc2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGIDLCDAJCIXEX-HWKANZROSA-N", "SMILES:COc1cc(/C=C/C(=O)n2ccc3cc(O)c(O)cc32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEAOBBWJRDKOLL-FOXCETOMSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)n1ccc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4278471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCOXKJFJBROIA-UHFFFAOYSA-N", "SMILES:O=C1c2cc(O)c(O)cc2CCn2cccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5397379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMNJPYCSMAUBCH-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CCn2cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCOULRDHQJWFEM-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2n1CCc1cc(O)c(O)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPFWUCSRCSJRI-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(c1)C(=O)c1cc(O)c(O)cc1CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWERCMBDYBQURK-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1cc(O)c(O)cc1C(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQRMAJBDQCYHAK-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1ccc(NC(=O)c2ccc(O)c(O)c2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOANRDVICQZXMO-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2ccc(O)c(O)c2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKOSYWKZQSRSLK-LJQANCHMSA-N", "SMILES:CC(=O)NCCc1cc(O)c(O)cc1[C@@H](NC(C)=O)C(=O)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJGFYXCTBAXHOA-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCC1=NCCc2cc(O)c(O)cc21.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUYVEILDMVCFTG-UHFFFAOYSA-N", "SMILES:COc1cc(CCN(C)C)c2c(c1O)SC(CCNC(=N)N)(C1=NCCc3cc(O)c(O)cc31)S2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSDRZZIOEMEWGG-UHFFFAOYSA-N", "SMILES:COc1cc(CCN(C)C)c2c(c1OC)SC(CCNC(=N)N)(C1=NCCc3cc(O)c(O)cc31)S2.O=C(O)C(F)(F)F"]}
{"name": "Riboflavin-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL1944489"], "id": "UniProtKB:P02752", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9031"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAMFRBBTBRECN-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCCO)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUPCGRKHOAWCTI-UHFFFAOYSA-N", "SMILES:O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDNGQSRMLNLKK-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2C)nc2c1c(C)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJNYMCLZGUFEA-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2C)nc2c1c(C(F)F)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJNYMCLZGUFEA-IZUSZFKNSA-N", "SMILES:[2H]C([2H])([2H])C([2H])([2H])N(C(=O)c1cc(-c2ccnn2C)nc2c1c(C(F)F)nn2-c1ccccc1)C([2H])([2H])C([2H])([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUIRHTFZNVIAHC-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2CC)nc2c1c(C)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPKBTAXRMZNIJ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPOVRYNNMOBQZ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2nccs2)nc2c1c(C)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABCSNLVOHLQPR-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c2nc(-c3ccnn3C)cc(C(=O)N3CCCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDVVFPOAHEJEQ-UHFFFAOYSA-N", "SMILES:CCCN(C)C(=O)c1cc(-c2ccnn2C)nc2c1c(C)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAPFCFQOQTYSNG-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)c1cc(-c2ccnn2C)nc2c1c(C)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSJCMPCJFGQBIS-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2CC)nc2c1c(C)nn2-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFJVXJLRCYWQL-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2C)nc2c1c(C)nn2-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVEPDWYDLTVVNR-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2C)nc2c1c(C)nn2-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDZXDUQVDMMWCU-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2CC)nc2c1cnn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIIOKOFGGFVMG-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2C)nc2c1c(C(F)(F)F)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASYPDSURHVIDQ-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2C(C)C)nc2c1c(C)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CASRNBDMGXYUOT-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2cnn(C)c2)nc2c1c(C)nn2-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVOVWRCCLRDCA-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2C)nc2c1c(C)nn2-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVGUMTUTVMGPD-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1cc(-c2ccnn2C)nc2c1c(C)nn2-c1ccc(Cl)cc1"]}
{"name": "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A", "xref": ["CHEMBL.TARGET:CHEMBL4295711"], "id": "UniProtKB:P0C1Q2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTNAGJZHGMFNX-HNNXBMFYSA-N", "SMILES:CC(C)[C@@H](N)CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTNAGJZHGMFNX-OAHLLOKOSA-N", "SMILES:CC(C)[C@H](N)CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNKRUOPLFUQVNN-SFHVURJKSA-N", "SMILES:N[C@@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNKRUOPLFUQVNN-GOSISDBHSA-N", "SMILES:N[C@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACQHWKWGJPASA-QGZVFWFLSA-N", "SMILES:N[C@@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACQHWKWGJPASA-KRWDZBQOSA-N", "SMILES:N[C@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCDKIHCZQAFPM-WTDSWWLTSA-N", "SMILES:Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cn4)cc(-c4ccc(F)cc4)c3o2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFPMYGXIZBADI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)Nc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYAARJGYCDQNP-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSLQRGCOWPEFMZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKOGVXMQPSONNP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)Nc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPMLRDPJAFMAPT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUHWJVYRTNIMGJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)Nc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTAKFNFIZQPOPP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)Nc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRBSVCFHAKHSNU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCWZNHJJLWSLIM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)F)cc1)Nc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWAWUBPOSFYSMU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVUKGSXOWGDVJZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMQXEBZRVLMTP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWIYLNMEPWVOZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Nc2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHOUEMZYHKTBR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)Nc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXTIERYSEJQGHS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)Nc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSKAGJSBEDCDMZ-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)Nc2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYANGHJGYFOIO-TWJUONSBSA-N", "SMILES:O=C(O)C1=C(C(=O)N(Cc2ccccc2)Cc2ccccc2)CN2C[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHMJMEFLSUDOEF-MVVNUAPSSA-N", "SMILES:O=C(O)C1=C(C(=O)N(Cc2ccccc2)Cc2ccccc2)CN2C[C@H](NC(=O)[C@H](C[C@@H]3CCNC3=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COEKDSCPTZOWRJ-RGZWJVDOSA-N", "SMILES:O=C(O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLXTRUMELWGJL-QLBZUPSYSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULPRPZTRHTDLY-BDYUSTAISA-N", "SMILES:O=C(O)C1=C(C(=O)NCc2ccccc2)CN2C[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSKKULLKDHSDE-AHWVRZQESA-N", "SMILES:O=C(O)C1=C(C(=O)NCc2ccncc2)CN2C[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULUGJZPXKGMARM-UPVQGACJSA-N", "SMILES:CCN(CC)C(=O)C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)CN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWPENDWMAPVNS-UPVQGACJSA-N", "SMILES:O=C(O)C1=C(C(=O)N2CCCC2)CN2C[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKIGRXSOAUSLF-GMAHTHKFSA-N", "SMILES:C=CCOC(=O)C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)CN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCGMFQAVPDEMP-UHFFFAOYSA-N", "SMILES:CCNCCc1c[nH]c2c1C(=O)C(c1cccnc1)=CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWXVFKIAWTBOA-UHFFFAOYSA-N", "SMILES:CC12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1=C(C3=O)S(=O)(=O)CCN1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5406358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFBCDSUOXNPIZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(-c3ccccc3)cc2)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRADEVLIHOTLH-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)Nc1c(-c2ccc(-c3ccccc3)cc2)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DILZTKGFLDFMPN-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(-c3nc4sccn4c3NCCN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILWKJLPNROCERH-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELUKDMOCDMIAS-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)Nc1c(-c2cccc(C#N)c2)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHRRZUBNIYECTB-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)Nc1c(-c2ccncc2)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGQXUDUZJFVBR-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJLDWHAPOGRBX-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccccc2)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOWASWNWZGKZMX-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc3sccn3c2NC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKMWKVQYLJAID-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccncc2)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKUPBFNLGHYAI-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc3c(c2)OCO3)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBDAJJMJPBFFNX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3sccn3c2NC(C)(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROFCWAYPOYPHI-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2sccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVSWQKAZQSAPH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3sccn3c2NC(C)(C)CC(C)(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTELUGHHZAHIFC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3sccn3c2NCCN2CCOCC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJEABWLBOURYFP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3cc(C)ccn3c2NC(C)(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYTGSNGNCQHITP-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc2cnccc12)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSVJUKMYOSUKL-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1-c1cncn1Cc1cc2cc(F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDEBRZXZAXYXPK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)nc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL576950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVCNAWJHLSYPN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3c2C2=NCCc4c[nH]c(c42)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLUSLQOHYIRJHX-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(S(=O)(=O)NNc3ccc(Br)cc3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJIRTJXCKSBRDG-SNVBAGLBSA-N", "SMILES:Cc1n[nH]c2c1[C@@H](c1ccc(F)c(F)c1)c1c(N)n[nH]c1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUXNPHFFGAHRM-DWGLZSLXSA-N", "SMILES:O[C@H](c1c(C2CC2)c(Cl)cc2cncn12)C1CC2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4090501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXKLDYKORJEOPR-QMMMGPOBSA-N", "SMILES:O=C1C[C@@H](c2c[nH]c3ccc(F)cc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEDJAODAMNCQE-QCYRTUEFSA-N", "SMILES:C[C@]1([C@@H](O)C[C@@H]2c3c(F)cccc3-c3cncn32)CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3342393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLEXBEMTJAGGPY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2csc3ncc(C(=O)NCCc4cccc(Cl)c4)n23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MREGZYIBCQDRSY-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVHRQJIXRDVGG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCOCC1)c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBMDGSCTUBJWIN-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc2cc1OCCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFKHYTSJLGIBEQ-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc2cc1OCCOCCOc1cc(ccc1F)-c1nc(ncc1F)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRBGAXSPYVRRB-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc2cc1OCCCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL353759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATOAHNRJAXSBOR-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1992547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYJHJSHUPHLAEL-LZYBPNLTSA-N", "SMILES:C/C(=N\\Nc1ccc(Cl)c(C(=O)O)c1)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1469796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPOLIJIFTWENCV-UHFFFAOYSA-N", "SMILES:O=C(COC(=O)Cc1ccccc1)Nc1ncc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJFVZPKBHCHMT-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cn1nc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHCFPOOSRVKBR-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJMBHPKCWMAIZ-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cn1nc(-c2ncc(C3CC3)cn2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBRWMFIWNCYQKR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFSKDJDXWOEDCC-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUEWJCPLDJJWNC-UHFFFAOYSA-N", "SMILES:Brc1ccccc1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQYNXKXELNTGAM-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMTDMSHATSKATH-UHFFFAOYSA-N", "SMILES:Fc1cccc(F)c1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKOCBMPVFFTHI-UHFFFAOYSA-N", "SMILES:Fc1cccc(Cl)c1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTVYWRANUBAAJP-UHFFFAOYSA-N", "SMILES:Clc1cccc(Br)c1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUULOEXGTMEDMU-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cl)c1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNECNMKNVHGPQO-UHFFFAOYSA-N", "SMILES:Fc1cccc(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCRZDDVZZYZOQ-UHFFFAOYSA-N", "SMILES:Fc1cc(F)c(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYKIYCBIRCODE-UHFFFAOYSA-N", "SMILES:Fc1ccc(F)c(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXJVGQMSBRTOHG-UHFFFAOYSA-N", "SMILES:c1ccc2c(Cn3cc(-c4ncc(C5CC5)cn4)c4cccnc43)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVBEYUTJNSZSC-UHFFFAOYSA-N", "SMILES:c1ccc(CCn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFBGEKFBLRJBFE-UHFFFAOYSA-N", "SMILES:c1cnc2c(c1)c(-c1ncc(C3CC3)cn1)cn2CCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWBPOSQXZCIHA-UHFFFAOYSA-N", "SMILES:Fc1ccccc1CCn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNMVAREPIDJJL-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cn(Cc3c(F)cccc3F)c3ncccc23)ncc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZESAVUVCFMDOPB-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cn(Cc3c(F)cccc3Cl)c3ncccc23)ncc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCXPAZHWUHZOHI-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRMNWYHVHGADMR-UHFFFAOYSA-N", "SMILES:CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPDVMAWSCUDLZ-UHFFFAOYSA-N", "SMILES:C=Cc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYMMNMGSBQNXSX-UHFFFAOYSA-N", "SMILES:C=C(C)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPMRIUTDFEFRG-UHFFFAOYSA-N", "SMILES:CCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUURCJUNDCRAFK-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cn1cc(-c2ccc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIKJFONNCRNREH-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cn1cc(-c2cnc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHXUVUWXYKUMOX-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cn(Cc3ccccc3F)c3ncccc23)ccc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCINKVVCZCCLW-UHFFFAOYSA-N", "SMILES:OCc1cc(-c2cn(Cc3ccccc3F)c3ncccc23)ccc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNIBIGXSSBMJQW-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cn(Cc3ccccc3F)c3ncccc23)ccc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHBYWOXMVQXGHK-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cn1ccc2cc(-c3ncc(C4CC4)cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNMRIYHMLSIHA-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccccc1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWTKXSSBYGYDNE-UHFFFAOYSA-N", "SMILES:Fc1cccc(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVZALRXUGWARGE-UHFFFAOYSA-N", "SMILES:Brc1cccc(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BASVFKNZWUMZIA-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAMJMUZJHXVBI-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQYSIHAZUHTIBZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRPQXMKBIFUGDA-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXPPGOTYVRVGBR-UHFFFAOYSA-N", "SMILES:Fc1ccc(F)c(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZSWZNPMPWRSC-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSLKEJYCYUZSN-UHFFFAOYSA-N", "SMILES:c1cnc2c(c1)c(-c1ncc(C3CC3)cn1)cn2CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXLISAURFGJHCI-UHFFFAOYSA-N", "SMILES:c1cnc2c(c1)c(-c1ncc(C3CC3)cn1)cn2CC1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBNOTSYXQLDGOU-UHFFFAOYSA-N", "SMILES:c1ccc(CCCn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQMAXZNIVDYEPI-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CCn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXTCQMHUAYEJOF-UHFFFAOYSA-N", "SMILES:Fc1cccc(CCn2cc(-c3ncc(C4CC4)cn3)c3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2037378", "category": ["biolink:ChemicalEntity"], "name": "LACCACID ACID A", "xref": ["InChIKey:IHLWXZNPOVMUFQ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5413305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRXULZFQCGXCRV-VIFPVBQESA-N", "SMILES:N[C@@H](Cc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5416177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCFHDQETKDGHT-UHFFFAOYSA-N", "SMILES:NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5407832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPQVTOJGNYVQEO-DMTFLBQBSA-N", "SMILES:O=C(O)c1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5440205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPQVTOJGNYVQEO-VBQSJKFFSA-N", "SMILES:O=C(O)c1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL244695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSORIGFRQYENG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL492894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJCENKZISEXPF-UHFFFAOYSA-N", "SMILES:O=C(O)C1Nc2ccccc2C2C=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REGZZMYIDMVSBE-UHFFFAOYSA-N", "SMILES:O=C(O)C1Nc2ccc(Br)cc2C2C=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1567396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAHHEUJIITYGOD-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1331645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXSOGZGNQOAWFM-UHFFFAOYSA-N", "SMILES:O=C(O)C1Nc2c(F)cccc2C2C=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHWAPMMNOZJRKU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2c1NC(C(=O)O)C1CC=CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1527520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPJWSZWDZNVOJ-UHFFFAOYSA-N", "SMILES:O=C(O)C1Nc2c(O)cccc2C2C=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3115916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVYWCCDLAHPNJ-UHFFFAOYSA-N", "SMILES:O=C(O)C1Nc2ccc(Cl)cc2C2C=CCC12"]}
{"name": "Receptor-type tyrosine-protein phosphatase R", "xref": ["CHEMBL.TARGET:CHEMBL3425390"], "id": "UniProtKB:Q15256", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1334684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICOHVCVFOZOLOK-UHFFFAOYSA-N", "SMILES:O=C(OC1CCCCC1)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1334633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCLDLXLZBMYXOG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1447034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UORZCPZFZNBVDZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1C)NC(C(=O)O)C1CC=CC21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1391547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTKRLZDSHXZXNP-IIYDPXPESA-N", "SMILES:O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2"]}
{"name": "Diacylglycerol kinase alpha", "xref": ["CHEMBL.TARGET:CHEMBL4523195"], "id": "UniProtKB:P20192", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUAPOVFDKLQGB-GOZTUDAPSA-N", "SMILES:O=C(O)[C@@H]1Nc2c(O)cc(Cl)c([N+](=O)[O-])c2[C@@H]2C=CC[C@H]12"], "chembl_natural_product": true}
{"name": "SH3 and multiple ankyrin repeat domains protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5465313"], "id": "UniProtKB:Q4ACU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXNQOWRJIPUOM-KEHGIVTQSA-N", "SMILES:O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSORIGFRQYENG-VDDIYKPWSA-N", "SMILES:O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1570401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGRNYLHBYNHAI-UHFFFAOYSA-N", "SMILES:O=C(O)C1Nc2ccc([N+](=O)[O-])cc2C2C=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKGYCZDDMFFLJ-UHFFFAOYSA-N", "SMILES:O=C(O)C1Nc2c(I)cc(Br)cc2C2C=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STARYZMTFHAHFC-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)c1cc(I)c2c(c1)C1C=CCC1C(C(=O)O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHCWDZOKHBTEF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(I)c2c(c1)C1C=CCC1C(C(=O)O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKARIYJCQBWHLV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Br)cc2c1NC(C(=O)O)C1CC=CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDUQTHDCZONVRX-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)O)cc2c1NC(C(=O)O)C1CC=CC21"]}
{"name": "Bifunctional protein GlmU", "xref": ["CHEMBL.TARGET:CHEMBL1293297"], "id": "UniProtKB:P9WMN3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPVLRUZPRDWCAG-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCO3)CCC2)NS(=O)(=O)c1ccn(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKBBIKDXXYRKA-VZUCSPMQSA-N", "SMILES:CN(C)C/C=C/S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)C=CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUMVGZXRXHXLAF-MDZDMXLPSA-N", "SMILES:CC(C)(N)/C=C/[S+]([O-])(=NC#N)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMDVDMGYHBHQV-VZUCSPMQSA-N", "SMILES:CN(C)C/C=C/S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWDVZFBCOETFO-UHFFFAOYSA-N", "SMILES:CC1(C)CCc2c1cc1c(c2NC(=O)NS(=O)(=O)c2ccnn2CCCB(O)O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOSYYMQJZFIDO-UHFFFAOYSA-N", "SMILES:O=C(Nc1c(C2CC2)ccc2c1CCC2)NS(=O)(=O)c1cc2c(o1)C1CCN(CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUCVRXVMSSZOBN-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc2c(o1)CCCC2(C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEYWOQWVFTEPN-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(NC(=O)N[S+](=N)([O-])c3ccccc3)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOVWOZSBGRSFJ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(c(NC(=O)NS(=O)(=O)c3cc(C(C)(C)O)co3)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHWQKHKAENLADP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCCC(S(=O)(=O)N(C)C)CC2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRIMTLJNTGRFTA-NWKCHQMOSA-N", "SMILES:C[C@H](O)Cn1cc(F)c([S+](N)([O-])=NC(=O)Nc2c3c(nc4c2CCC42CC2)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XISNGTDPYGBDOB-UHFFFAOYSA-N", "SMILES:N[S+]([O-])(=NC(=O)Nc1c2c(nc(C3CC3)c1C1CC1)CCC2)c1nn(C2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOMQESFVXKOHA-UHFFFAOYSA-N", "SMILES:N[S+]([O-])(=NC(=O)Nc1c2c(nc(C(F)(F)F)c1C1CC1)CCC2)c1nn(C2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIKNIFOOSSGMHQ-UHFFFAOYSA-N", "SMILES:Cc1nc(C(C)C)c(NC(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)n1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXMWHGHQDYUKM-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc(C)c1-n1cc2c(=O)[nH]c(NCC(C)C)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZEHLFQSKBRQOG-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)cc(C)c1-n1cc2c(=O)[nH]c(N3C=COCC3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLFWVXSHMOBKH-UHFFFAOYSA-N", "SMILES:O=C(CN1CC2(CC2)c2cc(Br)ccc2C1=O)Nc1ncc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISCGORQXDUHUAG-PQSSYKNCSA-N", "SMILES:C[C@]1(O)C[C@@H](NC(=O)CN2C[C@@]3(C[C@@H]3F)c3cc(I)ccc3C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXBXBEYAURKRBJ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2ccc3c(c2)OC(F)(F)O3)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1sc(C(C)(C)O)nc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSLZPPIFDNGVEX-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C#N)c(F)c(C(C)C)c1CC(=O)NS(=O)(=O)c1sc(C(C)(C)O)nc1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDBQYNHVYBPAR-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cccc3ccccc23)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXJZCSFVLSSMI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2nc(C(C)(C)O)c[se]2)CCC3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKNZSEBXKODXNB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cccc(C(C)C)c2NC(=O)NS(=O)(=O)c2nc(C(C)(C)O)c[se]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLFOUQKSTIJXDV-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXDZKDVQUIADY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)Nc1c(-c2ccnc(OC3CCN(Cc4ccccc4)CC3)c2)ccc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLYVMVQLEBNWCE-KKPWUCEDSA-N", "SMILES:C[C@@H]1CCc2c1nc1c(c2NC(=O)N=[S+]2([O-])NC(=O)c3ccc(C(C)(C)O)cc32)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCOMLOOMPJEJS-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(NC(=O)NS(=O)(=O)C(c2cnn(C)c2)C2CCCN(C)C2)c(C(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSDZQAYNUMAPLS-UHFFFAOYSA-N", "SMILES:CCc1oc(C(C)C)cc1NC(=O)NS(=O)(=O)C(c1cnn(C)c1)C1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVZGYXCKGWWCC-AWEZNQCLSA-N", "SMILES:CCN1CCC[C@H](Nc2ccc(-c3c(C)cc(C(F)(F)F)cc3O)nn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJKIUDOTQKQBQ-CYBMUJFWSA-N", "SMILES:Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGHBRFNKKNQTOB-LLVKDONJSA-N", "SMILES:CN1CCC[C@@H](Nc2cc(C(F)(F)F)c(-c3ccc(C(F)(F)F)cc3O)nn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXJWSWSVMZWQB-UHFFFAOYSA-N", "SMILES:CC1(O)CCCc2oc(S(=O)(=O)NC(=O)Nc3c4c(c(Br)c5c3CCC5)CCC4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXIBQTZTAVYRPZ-WRGVRERRSA-N", "SMILES:C[C@@]1(CO)Cn2ncc([S@@+](N)([O-])=NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQVBVHNLCSGXHF-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc2c(c1)[S+]([O-])(NC(=O)Nc1c3c(cc4c1CCC4)CCC3)=NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLMBQCZYDSXJP-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(C(=O)NC2(C(=O)Nc3c4c(cc5c3CCC5)CCC4)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKPYQVPYWRITNS-UHFFFAOYSA-N", "SMILES:COC(C)(C)Cn1ccc(S(=O)(=O)c2nnc(Nc3c4c(cc5c3CCC5)CCC4)[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNEYSDGMGAPVFK-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(F)cc2c1CC(=O)NS(=O)(=O)c1ccn(n1)C(C)(C)COc1cc-2ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYSUZXRAIXGLK-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1nc(Nc2c3c(cc4c2CCC4)CCC3)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095423", "category": ["biolink:ChemicalEntity"], "name": "SELNOFLAST", "xref": ["InChIKey:OHIFQOUPTWBQLE-UHFFFAOYSA-N", "SMILES:CCN1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1"], "synonym": ["Selnoflast", "RO-7486967", "RO7486967", "Selnoflast"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMQEPNJBAVGIA-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHKKEXYQYVUPL-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAKVPQFNPLVPJV-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2cc(-c3ccc4c(c3NC(=O)NS(=O)(=O)C3CC3)CCC4)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARUHGKQPWCXCHG-UHFFFAOYSA-N", "SMILES:CS(C)(=O)=Nc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSVWHSVBUBJQIO-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2CCCN(C3CCC3)C2)nnc1-c1ccc2sccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDSRIHQUIWJFIL-MRXNPFEDSA-N", "SMILES:Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc2ccccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSRJFTLOEAHIKN-LJQANCHMSA-N", "SMILES:Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(-c2ccc(F)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCARFAICRWFBH-UHFFFAOYSA-N", "SMILES:O=C(CBr)C1CC([N+](=O)[O-])([N+](=O)[O-])C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVGKLLQPYFPQLP-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODPHLRQTQFMNJQ-UHFFFAOYSA-N", "SMILES:O=C(CBr)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENGJWVLZSKYAH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cn(C(C)C)c(=O)cn2)CCC3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQWYXUBFUYDFX-JOCHJYFZSA-N", "SMILES:C[C@@]1(O)CCCc2oc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKIQSJLXCYGOX-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cc2c(o1)C1CCN(CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCCRUQBBDFUDD-UHFFFAOYSA-N", "SMILES:Cn1ncc2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYZRWDBUKWWLLQ-UHFFFAOYSA-N", "SMILES:O=S1(=O)c2nnc([nH]2)Nc2c(ccc3c2CCC3)-c2ccnc(c2)OCCCN2CCC3(CC1C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGGAGMEAQQYBM-BWKNWUBXSA-N", "SMILES:CN1C[C@]2(C)CCCN2[C@H](CS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOQNLOKOXLIDHA-UHFFFAOYSA-N", "SMILES:N[S+]([O-])(=NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cnn2cc(CO)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEGDNQRVRKVSB-UHFFFAOYSA-N", "SMILES:O=C1Nc2c(ccc3c2CCC3)-c2ccnc(c2)OCCn2cc(F)c(n2)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3188223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWWTCSJLGHLRM-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5429355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWCHQOIWKADGEE-CQSZACIVSA-N", "SMILES:CC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3CCC3)C2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMVDCVSVWLEKM-RKQQLJTISA-N", "SMILES:CN(C)c1nn(CC(=O)N[C@H]2C[C@@](C)(O)C2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKJSDVDQZUEYJR-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)c2cc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDDEPVEWCWNRR-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2cc(I)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIRHXGZSXMUDGL-UHFFFAOYSA-N", "SMILES:CCNc1cc2c(=O)n(CC(=O)Nc3ccc4nncn4c3)nc(C(C)C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIPRNIEANGASR-PKOBYXMFSA-N", "SMILES:CC(C)c1nn(CC(=O)N[C@H]2CN(C3CCC3)CC[C@H]2O)c(=O)c2cc(C3CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQRORSPCOSFRA-UHFFFAOYSA-N", "SMILES:CC(C)c1nc2c(C(C)C)nn(CC(=O)Nc3ccc4nncn4c3)c(=O)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZLTQAQQFXSRK-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)c2sc(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMPFEPQZHBOCQE-UHFFFAOYSA-N", "SMILES:CCNc1nc2c(C(C)C)nn(CC(=O)Nc3ccc4nncn4c3)c(=O)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZCKQODPGQUSMD-KSMLVUNXSA-N", "SMILES:CC(C)c1nn(CC(=O)N[C@H]2C[C@](C)(O)C2)c(=O)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTODRCHYIGMGW-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ncc3nc[nH]c3n2)c(=O)c2ccc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWQSQWWVOIEXPK-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(CC(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)c(=O)c2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKMCJXBTXOWLD-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(CC(=O)Nc2ccncn2)c(=O)c2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBLJJMWHPXJNQO-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)cc1N1CC2CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNONECVNIIBTHC-UHFFFAOYSA-N", "SMILES:COC(=O)C12CC(NC(=O)Cn3nc(C(C)C)c(OCC(C)C)cc3=O)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKGWRNCYIUMHX-HEHXSTRBSA-N", "SMILES:CC(C)c1nn(CC(=O)N[C@H]2C[C@@](C)(O)C2)c(=O)c2cc3ccsc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGBBNWPWLGZIS-QCKZDCLWSA-N", "SMILES:CC(C)c1nn(CC(=O)N[C@H]2C[C@@](C)(O)C2)c(=O)c2cc3c(n12)CC(C)(C)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODIVPAHFDEUEG-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2cc(I)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZLELALTFQCPH-GOSISDBHSA-N", "SMILES:CC(C)c1cc2c(=O)n(CC(=O)N[C@@H]3CCCN(C4CCC4)C3)nc(C(C)C)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOISMFPJTJCHKV-GFCCVEGCSA-N", "SMILES:CN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3O)c3c2COC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFUDVJAHFSOIL-RKQQLJTISA-N", "SMILES:C[C@]1(O)C[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3O)c3c2COC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOUUXRKNJIKLR-MRXNPFEDSA-N", "SMILES:Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C2CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHMTJKMOOHZGU-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ncc(F)cn2)c(=O)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTXBOSUQPABOV-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(C(C)C(=O)Nc2ncc(F)cn2)c(=O)c2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHNAHAPLXUXCK-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ncncc2F)c(=O)c2ccc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPUOQBSUKNNTBX-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)c2ccc(Br)c(F)c2C2(CC2)C1=O)Nc1ncc(Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQDOEJQRUDXCW-UHFFFAOYSA-N", "SMILES:CCc1c(-c2cccc(F)c2)c(C(C)C)nn(CC(=O)Nc2ncncc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSBTUQVYMIXISB-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2ncccn2)c(=O)cc1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWWZJHTZBXPALX-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(C2(C(=O)Nc3ncccn3)CC2)c(=O)cc1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDHNDJOVTJKEOL-LJQANCHMSA-N", "SMILES:CC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3CCC3)C2)c(=O)cc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQIGZVMVEJZRSJ-MRVPVSSYSA-N", "SMILES:Cc1c(-c2ccc(C(F)(F)F)cc2O)nnc(NC[C@@H](C)O)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWSXJAUWNSSBZ-HUUCEWRRSA-N", "SMILES:Cc1c(N[C@@H]2CCCC[C@H]2O)nnc(-c2ccc(C(F)(F)F)cc2O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMUIICSIPBHJX-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(C)c2cccc(O)c2)nnc1-c1ccc(C(F)(F)F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVFXAPATLSJYGX-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nnc(NCC3CCCO3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKRBIAXTXXNBA-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nnc(NCC3CCCO3)c3cnccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDQJRUYCKCVDE-NXHRWCDGSA-N", "SMILES:C[C@]1(O)C[C@@H](Nc2nnc(-c3ccc(C#N)cc3O)c3c2CCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDOGVFLVWMQBTD-CYBMUJFWSA-N", "SMILES:Cc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)c3cscc23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPPGZHHQAAIBTD-OFLPRAFFSA-N", "SMILES:Cc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)c3c2C2C=CC3CC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCUPBMFHUSEREU-CQSZACIVSA-N", "SMILES:Cc1cnc(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSINMZKTUUHAC-GFCCVEGCSA-N", "SMILES:CCN1CCC[C@@H](Nc2nnc(-c3ccc(Cl)cc3O)n(C)c2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNGFAQXMHOEHT-LBPRGKRZSA-N", "SMILES:CCN1CCC[C@H](Nc2nnc(-c3ccc4c(c3O)CCO4)n(C)c2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVZGYXCKGWWCC-CQSZACIVSA-N", "SMILES:CCN1CCC[C@@H](Nc2ccc(-c3c(C)cc(C(F)(F)F)cc3O)nn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSWTKVMBWTRFL-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(Nc2cccnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTGZVQJHMCFCHW-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(Nc2cncnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTBYRGPVFEYCT-GDNBJRDFSA-N", "SMILES:NS(=O)(=O)c1cccc(/C=C2\\SC(=S)N(CC3CCCCC3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMNJYQXXHGRIB-UVTDQMKNSA-N", "SMILES:CCC(CC)CN1C(=O)/C(=C/c2ccccc2S(C)(=O)=O)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZYOAXFITJJITM-KHPPLWFESA-N", "SMILES:C=CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INDCUNOGADMOSA-KHPPLWFESA-N", "SMILES:COCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLKJXGYIMQYEW-ZCXUNETKSA-N", "SMILES:CCCCCN1C(=O)/C(=C2\\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRQVDERBRUKUSN-ACCUITESSA-N", "SMILES:O=C(/C=C/S(=O)(=O)c1ccccc1Cl)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHTXBWLVGWJFT-URMJIZPASA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5403920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXMUVJYCUGTRO-AXLRKOCXSA-N", "SMILES:C=C1C(=O)[C@@]23C(CC[C@@H]1[C@H]2OC(=O)Nc1cccc(Cl)c1)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCGGKPYCQHVLA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2ccc(C(=O)c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZVNDSYRYZFJU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2ccn(-c3ccc(S(N)(=O)=O)cc3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQGWSNNXBRZSPC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2ccn(-c3cccc(S(N)(=O)=O)c3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLQFARKGJOSLEV-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2ccn(-c3ccccc3S(N)(=O)=O)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVYMUXRPHIGZCP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(C(=O)c3ccccc3)c(-c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIALBSFHRHQZOE-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRULHFXTVOAJA-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cn(-c3cccc(S(N)(=O)=O)c3)cc2-c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFXJQNJZNMMUAZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(C(=O)c3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLFJSQILDVYGBK-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cn(-c3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYIVABKUWHLVSF-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cn(-c3cccc(S(N)(=O)=O)c3)c3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKAQFZLONLOUSN-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHUCPVVPYRMGG-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cn(-c3ccccc3S(N)(=O)=O)cc2-c2ccccc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZSFKGAHDNYOBK-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)c2cn(-c3ccccc3S(N)(=O)=O)c3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGSQFIPRXLBJJX-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1COc1ccc(NC(=O)c2c[nH]cn2)cc1-n1cnnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODTVIDQHXXSNTQ-UHFFFAOYSA-N", "SMILES:CCCn1cc(C#N)c2cc(NC(=O)c3c[nH]cn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWANEQMPMESDC-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C2CCCC2)c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDHVHDWAGDKHB-UHFFFAOYSA-N", "SMILES:O=c1oc2c(O)ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2235107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVYNXDREGTBRL-HWKANZROSA-N", "SMILES:CC1(C)C=Cc2cc(C(=O)/C=C/c3ccc(O)c(O)c3)c(O)cc2O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5405319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYBINLXQKVLDPK-UHFFFAOYSA-N", "SMILES:COc1cc(O)cc2c(=O)oc(O)c(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSCCYWYHBINNS-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2c2c1C(c1cccs1)C=C(c1ccccc1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKHOBXPYHSAVQH-UHFFFAOYSA-M", "SMILES:O=C([O-])CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOLZEFFEYBRHAT-UHFFFAOYSA-M", "SMILES:O=C([O-])CSc1nnc(Br)n1Cc1cccs1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOCYJGYTYJVSU-UHFFFAOYSA-M", "SMILES:O=C([O-])CCCc1nnc(Br)n1Cc1ccc(Br)c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEJUFRSKGGKGDS-JRJKOMHBSA-N", "SMILES:C=C1/C(=C\\C=C(/CC)c2cccc(CCC#CCC(O)(C(F)(F)F)C(F)(F)F)c2)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MARICLVKOFLLAP-JRJKOMHBSA-N", "SMILES:C=C1/C(=C\\C=C(/CC)c2cccc(CCCCCC(O)(C(F)(F)F)C(F)(F)F)c2)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLHIEYMTIUZOBO-FIKMVKLPSA-N", "SMILES:C=C1/C(=C\\C=C(/CC)c2cccc(CCC#CCC(C)(C)O)c2)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFOJCHONFJOGI-SGTALLODSA-N", "SMILES:C=C1/C(=C\\C=C(/C)c2cccc(CCC#CCC(O)(C(F)(F)F)C(F)(F)F)c2)C[C@@H](O)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQFYZKWYQRQSW-UHFFFAOYSA-N", "SMILES:CCN(c1ccc2c(C(F)(F)F)cc(=O)n(CC(C)C)c2c1)c1ccc(C(=O)O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWECCEXWKFHHQJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1160", "category": ["biolink:ChemicalEntity"], "name": "NAPHTHOIC ACID", "xref": ["InChIKey:LNETULKMXZVUST-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3134411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQSCHALQLXXKKC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFRKHCKKEAQDIB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cccc(F)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTSHJZABYZAUAG-VOTSOKGWSA-N", "SMILES:C/C(=C\\C(=O)O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXOQKCMOQCDCH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(COc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYJRKVTWQOQRO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCc2ccc(Cl)cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCICHLBTRTUUKQ-UHFFFAOYSA-N", "SMILES:CSc1nccn1-c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL461681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQLIDDEQAJAGJ-UHFFFAOYSA-N", "SMILES:O=C(O)CCC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5393788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLMYSWXEOLIOB-UHFFFAOYSA-N", "SMILES:CCc1c(C(=O)O)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPILWQCXDRPDBT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRELJNMKLNHYCU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTZODCOPHCYCV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3278133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXXGPRFAVTVMKY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKOXBVAMLHIDQL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXGOCPUCEUCGHD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(COc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPMMDDYNUAUCBU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4644947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CISXCTKEQYOZAM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1429007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEESYVOFBRNYNF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCc2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBJNBGAXZRIWHP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCc2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJZIYOAOZVAIJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBEUDJJYJYWQOV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCc2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRGZUAFLKNHSLJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPCVKCPGXGXEO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKOKUXDGQHHLNT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(OCc2cccc(-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPGQPOXVSPWIPH-OSKRIYFASA-N", "SMILES:[2H]C([2H])(Oc1nc(N2C[C@H]3CC[C@@H](C2)N3)c2cnc(-c3cc(O)cc4ccc(F)c(C#C)c34)c(F)c2n1)C12CCCN1CC(=C(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXUWTUPVKIWRNH-WBGUKRJMSA-N", "SMILES:[2H]C([2H])(Oc1nc(N2C[C@H]3CC[C@@H](C2)N3)c2cnc(-c3cc(N)cc4ccc(F)c(C#C)c34)c(F)c2n1)C12CCCN1CC(=C(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUXOIGZNXGUOH-QQRUPWMWSA-N", "SMILES:[2H]C([2H])(Oc1nc(N2C[C@H]3CC[C@@H](C2)N3)c2cnc(-c3cccc4ccc(F)c(C#C)c34)c(F)c2n1)C12CCCN1CC(=C(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIMZHUSKDVSLAG-FKUWIZNHSA-N", "SMILES:[2H]C([2H])(Oc1nc(NCC2(N(C)C)CCC2)c2cnc(-c3cc(O)cc4ccc(F)c(C#C)c34)c(F)c2n1)C12CCCN1CC(=C(F)F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWAKNJPHVUJCRB-UHFFFAOYSA-N", "SMILES:Nc1nc(SCCc2ccccc2)nc(OCCc2ccccc2)c1N(CCc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1591456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTCCMJTPHCGMS-YRBAHSOBSA-N", "SMILES:CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](CO)OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2377405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YURJXMTYTWJRMP-UHFFFAOYSA-N", "SMILES:O=c1c(CCC(O)c2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVAUGSKBADLWTH-HEVIKAOCSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2ccccc2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQUSCQVSVWZXLO-PXLJZGITSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2cccc(C#N)c2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGPDABWNILZWPI-PXLJZGITSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2cccc(NS(C)(=O)=O)c2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMUOFAHXBXSGMP-HEVIKAOCSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2cccc(S(N)(=O)=O)c2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFZHEMSCSKTYEV-HEVIKAOCSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2cccc(C(N)=O)c2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRLKGXCHNOHGM-HEVIKAOCSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2cccc(C(=O)O)c2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCVGWEJNSKBTJC-HEVIKAOCSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2cccc(-c3nn[nH]n3)c2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSFNGCKRIIERP-HEVIKAOCSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2ccc([N+](=O)[O-])cc2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHRJSELQNIMKFQ-HEVIKAOCSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2cccc(-c3noc(=O)[nH]3)c2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXDRARJGGBODEX-CONSDPRKSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(C(C)C)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWNYNFVGOGOCNQ-VMPREFPWSA-N", "SMILES:Cc1cn(CCOCP(=O)(N[C@@H](Cc2ccccc2)C(=O)OC(C)C)N[C@@H](Cc2ccccc2)C(=O)OC(C)C)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPJYCOQQALHEDN-ACHIHNKUSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2cncnc2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLBBLYFUQQEZHG-KYJUHHDHSA-N", "SMILES:C#Cc1cn(CCOCP(=O)(N[C@@H](Cc2ccccc2)C(=O)OC(C)C)N[C@@H](Cc2ccccc2)C(=O)OC(C)C)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJIGKNTARBDPX-ZPGRZCPFSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(C#Cc2ccccc2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSRLUWUPFCNOR-KYJUHHDHSA-N", "SMILES:CCc1cn(CCOCP(=O)(N[C@@H](Cc2ccccc2)C(=O)OC(C)C)N[C@@H](Cc2ccccc2)C(=O)OC(C)C)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLQMJHOJRDMBK-HEVIKAOCSA-N", "SMILES:COc1ccccc1-c1cn(CCOCP(=O)(N[C@@H](Cc2ccccc2)C(=O)OC(C)C)N[C@@H](Cc2ccccc2)C(=O)OC(C)C)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCNRERMMNUBXCY-PXLJZGITSA-N", "SMILES:COc1cccc(-c2cn(CCOCP(=O)(N[C@@H](Cc3ccccc3)C(=O)OC(C)C)N[C@@H](Cc3ccccc3)C(=O)OC(C)C)c3ncnc(N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUSWPAXVRYWLG-PXLJZGITSA-N", "SMILES:COc1ccc(-c2cn(CCOCP(=O)(N[C@@H](Cc3ccccc3)C(=O)OC(C)C)N[C@@H](Cc3ccccc3)C(=O)OC(C)C)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIRXUPGGJRHXJW-CONSDPRKSA-N", "SMILES:C=C(C)c1cn(CCOCP(=O)(N[C@@H](Cc2ccccc2)C(=O)OC(C)C)N[C@@H](Cc2ccccc2)C(=O)OC(C)C)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIHWYGHLEHZFSD-LQJZCPKCSA-N", "SMILES:CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cc(-c2ccccn2)c2c(N)ncnc21)N[C@@H](Cc1ccccc1)C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNJVBAGDLOELJT-UHFFFAOYSA-J", "SMILES:COc1ccc(-c2cn(CCOCP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])c3ncnc(N)c23)cc1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDLIAUHDRZYRRY-UHFFFAOYSA-J", "SMILES:Cc1cn(CCOCP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])c2ncnc(N)c12.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLLVWVZSCYUBML-UHFFFAOYSA-K", "SMILES:Nc1ncnc2c1c(-c1ccccn1)cn2CCOCP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIYSNIGHDHREO-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCON1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXIJKGCVPJOUEO-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCON1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPEFNYYMWLOFDJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCON1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLWBELVTCHWEH-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCON1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1488010", "category": ["biolink:ChemicalEntity"], "name": "HAPLAMINE", "xref": ["InChIKey:IXRKDGGGFFCRIR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)C=C3"], "chembl_natural_product": true}
{"name": "TAR DNA-binding protein 43", "xref": ["CHEMBL.TARGET:CHEMBL2362981"], "id": "UniProtKB:Q13148", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPHPAWJXZHHPEN-PSOPSSQASA-N", "SMILES:C=C1C(=O)O[C@H]2C3=C(C)CCC[C@]3(C)C(=O)C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1394662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTVLFYRSBVYLN-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFHDCZYJHUPEN-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.O.c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBGWMGGKZBJJF-QQHYOGHPSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFVPCFPBPMZCJ-IWQXYIHJSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOMPBPFAUOADFJ-DZAMUJKTSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQVNHQDZLDIGJH-OBCMTGTFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQVNHQDZLDIGJH-KGWAZJICSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYORFILCLWGDB-VBKCUJSPSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYORFILCLWGDB-BPOQJKHJSA-N", "SMILES:CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPPYXFQQWWUXDE-GREHHBRPSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXAKZPFKMOXBV-ANQFFEMFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCZFLLULHAKCQX-XTALXFPISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCCCZACEYZSLFG-XNHKUAGSSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCCCZACEYZSLFG-IKPMSBAQSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKHHWAQKYVBAY-MIHBLRRSSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKHHWAQKYVBAY-MFLWRNBYSA-N", "SMILES:CSCC[C@@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCPLSDTJRTCLV-BFBPOKCASA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUQRPRQIWFMPLS-UGHCNEOASA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSQOTUCVHJYTOG-YNYYLOTFSA-N", "SMILES:CSCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIAJUSLERTGHJ-BQGZYMRUSA-N", "SMILES:CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIAJUSLERTGHJ-GREHHBRPSA-N", "SMILES:CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOMPBPFAUOADFJ-VTAUDTNQSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPVGKNPGKNLOK-LXZQIRDNSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIAJUSLERTGHJ-PEQMDWPLSA-N", "SMILES:CSCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJSGHFUGICGQH-UXIVZTDFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIAJBTWGHOLFLJ-YXSRGAMWSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIAJBTWGHOLFLJ-LAYGTMCPSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAAOOFGUNGMUQS-PEWBXTNBSA-N", "SMILES:CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAAOOFGUNGMUQS-ZFWNXTRLSA-N", "SMILES:CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIYWRXVYTYEKH-JTNSDRKUSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIYWRXVYTYEKH-YOJGJEAISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPLBXQJQBSWSA-IJHMEDHPSA-N", "SMILES:CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKFIMXUGFGUOD-LXJHIKCTSA-N", "SMILES:CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNAJQKIJVGVGFU-UHFFFAOYSA-N", "SMILES:C=C(C)C(O)Cc1c(OC)cc(CCc2ccccc2)c(C(=O)O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5427740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUOGAACUPBRKKK-UHFFFAOYSA-N", "SMILES:C=C(C)C(Cc1c(OC)cc(CCc2ccccc2)c(C(=O)O)c1O)OO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJDQCEZZOHOJHV-UHFFFAOYSA-N", "SMILES:COc1cc(CCc2ccccc2)c(C(=O)O)c2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVHSBDYUNQCVOR-UHFFFAOYSA-N", "SMILES:C=C(C)C(O)Cc1c(OC)cc(CCCCC)c(C(=O)O)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5417442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADUDJUNNJRGUFQ-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(OC)c2c(c1C(=O)O)OC(C(C)(C)O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5422952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVLQJRXSGVAHOI-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(CC=C(C)C)c(O)c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3781424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBAIBUBSGVINZ-UHFFFAOYSA-N", "SMILES:COc1c(CC=C(C)C)c(O)c(C(=O)O)c(CCc2ccccc2)c1CC=C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4573176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMHNYZKOTDKPQH-YNKMXBCVSA-N", "SMILES:CC(C)CCC(=O)Nc1ccn([C@H]2CC[C@H](O[C@H]3O[C@H](C)[C@@H](N(C)C)[C@H](O)[C@H]3O)[C@@H](C)O2)c(=O)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5409106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNCXCNSALKLRI-UHFFFAOYSA-N", "SMILES:Nc1ccn(-c2ccc(CNC3CCCC(Nc4ccc5[nH]ncc5c4)C3)cc2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBAJYHIHCQXSFB-UHFFFAOYSA-N", "SMILES:Nc1ccn(-c2ccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)cc2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXCKOSCYHZDMI-UHFFFAOYSA-N", "SMILES:Nc1ccn(-c2ccc(CN3CCCCC(Nc4ccc5[nH]ncc5c4)C3)cc2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMFQUCAEAHCWLX-UHFFFAOYSA-N", "SMILES:Nc1ccn(-c2cccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHPKXBVMNCFBCY-UHFFFAOYSA-N", "SMILES:Nc1ccn(-c2cccc(CNC3CCCC(Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRYOEFJILISCEA-ZWKOTPCHSA-N", "SMILES:Nc1nc(=O)n(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHROFUGFALSTDN-LEWJYISDSA-N", "SMILES:Nc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDBRABWYQKHSA-LEWJYISDSA-N", "SMILES:Cc1cc(=O)n(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFENNUACILVUDK-LEWJYISDSA-N", "SMILES:O=c1ccccn1-c1cccc(CN[C@H]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDPKFXHMNEJFH-FCHUYYIVSA-N", "SMILES:Cc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTITUXPZGXKXGO-FCHUYYIVSA-N", "SMILES:N#Cc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKNTEIFLITACO-LEWJYISDSA-N", "SMILES:NC(=O)c1ccn(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBXPHFYMJZJAP-FCHUYYIVSA-N", "SMILES:Cc1cccn(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPFVYFLCQBXTN-FCHUYYIVSA-N", "SMILES:Cc1ccc(=O)n(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMDNGFFSSWQGE-LEWJYISDSA-N", "SMILES:O=c1cc(F)ccn1-c1cccc(CN[C@H]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJGEWMEAJHWTP-BJKOFHAPSA-N", "SMILES:CCc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RECAHIAHRPPXFJ-LEWJYISDSA-N", "SMILES:O=c1cc(C(F)(F)F)ccn1-c1cccc(CN[C@H]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZBLRCXYAENEO-LEWJYISDSA-N", "SMILES:Cc1cc(=O)n(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNGGDJQCOFAGPU-RRPNLBNLSA-N", "SMILES:O=c1cc(-c2ccccc2)ccn1-c1cccc(CN[C@H]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABEOBJODDVJCGS-BJKOFHAPSA-N", "SMILES:CC(C)(C)c1ccn(-c2cccc(CN[C@H]3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRYOEFJILISCEA-ROUUACIJSA-N", "SMILES:Nc1nc(=O)n(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHROFUGFALSTDN-SFTDATJTSA-N", "SMILES:Nc1ccn(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJDBRABWYQKHSA-SFTDATJTSA-N", "SMILES:Cc1cc(=O)n(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFENNUACILVUDK-SFTDATJTSA-N", "SMILES:O=c1ccccn1-c1cccc(CN[C@H]2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDPKFXHMNEJFH-VXKWHMMOSA-N", "SMILES:Cc1ccn(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTITUXPZGXKXGO-VXKWHMMOSA-N", "SMILES:N#Cc1ccn(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKNTEIFLITACO-SFTDATJTSA-N", "SMILES:NC(=O)c1ccn(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBXPHFYMJZJAP-VXKWHMMOSA-N", "SMILES:Cc1cccn(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPFVYFLCQBXTN-VXKWHMMOSA-N", "SMILES:Cc1ccc(=O)n(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMDNGFFSSWQGE-SFTDATJTSA-N", "SMILES:O=c1cc(F)ccn1-c1cccc(CN[C@H]2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJGEWMEAJHWTP-ZEQRLZLVSA-N", "SMILES:CCc1ccn(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RECAHIAHRPPXFJ-SFTDATJTSA-N", "SMILES:O=c1cc(C(F)(F)F)ccn1-c1cccc(CN[C@H]2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZBLRCXYAENEO-SFTDATJTSA-N", "SMILES:Cc1cc(=O)n(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNGGDJQCOFAGPU-SVBPBHIXSA-N", "SMILES:O=c1cc(-c2ccccc2)ccn1-c1cccc(CN[C@H]2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABEOBJODDVJCGS-ZEQRLZLVSA-N", "SMILES:CC(C)(C)c1ccn(-c2cccc(CN[C@H]3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)c2)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL521179", "category": ["biolink:ChemicalEntity"], "name": "SR-3677", "xref": ["InChIKey:OQWZIAVXCYIZNN-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSHJINQCNONGT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn[nH]c2)cc2c(=O)[nH]c(C3COc4ccc(OCCN(C)C)cc4C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADLYFBQFFZCCM-AFEGWXKPSA-N", "SMILES:COc1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(C(F)(F)P(=O)(O)O)cc2)C(=O)N[C@@H](CCCCNC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVEATRODDMUDLE-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3ccc(Br)cc3c2F)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGUWMYZSBBTPMS-UHFFFAOYSA-N", "SMILES:CCC(=O)NC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGUWMYZSBBTPMS-CGKQETKWSA-N", "SMILES:[3H]C([3H])([3H])C([3H])([3H])C(=O)NC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXMEOBILYVKBC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBODDASATIUYTM-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-c2onc3c(C4CCNCC4)cc(Nc4ccc(CN5CCCC5)cc4)c1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKNVXMWDLNVPJO-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1875655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSZDSEMSNHXVRW-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1214066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AULLUGALUBVBDD-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUKWLRHRXOPODD-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1829305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFAXSWXKPQWHDW-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUALJMUKQJFYKW-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(Cc3cc(CN4CCCC4)cs3)CC2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQSMMANVDXMHD-UHFFFAOYSA-N", "SMILES:Cc1cc(CNC(=O)C(c2ccc(F)cc2)N2CCCCC2)cnc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYPERAWNNGGMJ-LOACHALJSA-N", "SMILES:CCN1CC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](OC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTTVHGJIGPMTG-OFQRWUPVSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC2(CC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAAXPKDUFYAXAD-YQQAZPJKSA-N", "SMILES:CNC(=O)C(=O)[C@H](CCC(C)(F)F)NC(=O)[C@@H]1CC2(CCN1C(=O)[C@@H](NC(=O)OC)C(C)(C)C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPJORBKOLOGMZ-JENIJYKNSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC2(CC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDNKJVYYJPDFOE-OWJBEEKMSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CCC2(CCCC2)CC1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHFOTHRIPKQIDW-YTFOTSKYSA-N", "SMILES:CNC(=O)C(=O)[C@H](CCC(C)(F)F)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CC(F)(F)F)NC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAXJMBFCXYZEEF-NKUSZHJXSA-N", "SMILES:CNC(=O)C(=O)[C@H](CCC(C)(F)F)NC(=O)C1C2CC(C)(C)C2CN1C(=O)[C@@H](NC(=O)OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL566653", "category": ["biolink:ChemicalEntity"], "name": "GIBBERELLIN GA3", "xref": ["InChIKey:IXORZMNAPKEEDV-SNTJWBGVSA-N", "SMILES:C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5436600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJSYXNQGLHBRRK-LEWIRDDKSA-N", "SMILES:CC(C)[C@]1(O)C(OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]14C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5425540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCMUPDPNVZKJS-SCRDCRAPSA-N", "SMILES:COC(CC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLLTPUQYLADFR-AMWFOUQDSA-N", "SMILES:C/C(=C\\CC[C@H](C)[C@@H]1CC[C@@H](C)c2ccc(C(=O)O)cc21)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGPLBVDGOXCCB-UHFFFAOYSA-N", "SMILES:O=C(C1=C(O)C(=O)N(c2cccc(-c3ccccc3)c2)C1c1ccc([N+](=O)[O-])cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRWLNDCRDGQFHZ-UHFFFAOYSA-N", "SMILES:Cn1nnc2cc(C3C(C(=O)c4ccccc4)=C(O)C(=O)N3c3ccc(O)c(C(=O)O)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGPLBVDGOXCCB-SANMLTNESA-N", "SMILES:O=C(C1=C(O)C(=O)N(c2cccc(-c3ccccc3)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGPLBVDGOXCCB-AREMUKBSSA-N", "SMILES:O=C(C1=C(O)C(=O)N(c2cccc(-c3ccccc3)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLYXMALTIGQLLF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(Cl)c1)Nc1nc2ccc(C(=O)O)cc2s1"]}
{"name": "3-hydroxyacyl-CoA dehydrogenase type-2", "xref": ["CHEMBL.TARGET:CHEMBL4159"], "id": "UniProtKB:Q99714", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLNKZAOURVXTHS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCBSWHILYAWAS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(Cl)c1)Nc1nc2ccc(-c3nnn[nH]3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PINXPBOFNZXPQT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXRSHHKKSMYEEP-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRAZSCGXXCFTNW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDBPVJRMZHTRH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(C(F)(F)F)c1)Nc1nc2ccc(C(=O)O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTTWZKYWOKVLN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2nc(NC(=O)Nc3ccc(O)c(C(F)(F)F)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYFHPVHFKPVVLZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(Cl)c1)Nc1nc2cc(C(=O)O)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAMVWAZACFIXGM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(NC(=O)c3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXGVQQGBCXDETG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(NCc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZASGBLPODIQMC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(NCCc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APSFMVOIAHXSAA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2nc(NCc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUDVIKHRVVJUGZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2nc(NCc3ccc(O)c(C(F)(F)F)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPDQEUAVWDQBQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2nc(NCCc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXVTUEKCWZEWDX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc2nc(N(CCc3ccc(O)c(Cl)c3)C(C)=O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCVJSCOXXQZPF-UHFFFAOYSA-N", "SMILES:CCc1cc2ncc(CN3CCN(c4ccc(F)cn4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVMEVYMAZHWGX-UHFFFAOYSA-N", "SMILES:CCc1nc2c(F)cc(CN3CCN(c4ccc(C#N)cn4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBOOOCSKSMAOW-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2cc(CN3CCN(c4ccc(F)cn4)CC3)cnc2cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBQIIJDBKEROC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJLCRTZDGCPMRR-OAHLLOKOSA-N", "SMILES:Cc1cc2ncc([C@@H](C)N3CCN(c4ccc(C#N)cn4)CC3)cc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXFGOLYFDZGQA-KLTYLHELSA-N", "SMILES:[2H]C([2H])(c1cnc2cc(C)c(=O)[nH]c2c1)N1CCN(c2ccc(C#N)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLJGXHHISFLNKZ-NSCUHMNNSA-N", "SMILES:COC(=O)/C=C/n1nn[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHKUDOHQFFTNFH-ONEGZZNKSA-N", "SMILES:COC(=O)/C=C/n1nnn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUVPJKNSZRMMX-GQCTYLIASA-N", "SMILES:COC(=O)/C=C/n1nnn(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NINYEKQLIUSEJF-ONEGZZNKSA-N", "SMILES:COC(=O)/C=C/n1cnn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQARNBQJYKZZJB-BQYQJAHWSA-N", "SMILES:Cn1nnn(/C=C/S(=O)(=O)c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKOVIEXTMBUPBB-BQYQJAHWSA-N", "SMILES:Cc1ccc(S(=O)(=O)/C=C/n2nnn(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNEFQSAZQXHQRP-MDZDMXLPSA-N", "SMILES:O=c1n(/C=C/S(=O)(=O)c2ccccc2)nnn1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTLCNXNZIHQQQO-BQYQJAHWSA-N", "SMILES:Cn1ncn(/C=C/S(=O)(=O)c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSEMDUCHYWHWSE-BQYQJAHWSA-N", "SMILES:Cc1ccc(S(=O)(=O)/C=C/n2cnn(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJXKQUHAYXQJFB-BQYQJAHWSA-N", "SMILES:Cn1cnn(/C=C/S(=O)(=O)c2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDIMLNFKABHTN-BQYQJAHWSA-N", "SMILES:Cc1ccc(S(=O)(=O)/C=C/n2ncn(C)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL404609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVUSJKZJQMCSP-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNIQZACEJWQUHN-VOTSOKGWSA-N", "SMILES:O=c1[nH]cnc2ncc(/C=C/c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABXVMIPMRGSESG-GQCTYLIASA-N", "SMILES:O=c1[nH]cnc2ccc(/C=C/c3ccccn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZORMICSJRGFIG-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2cnc(N3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJNVQMMPBPLKON-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(N3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVFHMJGZJXLEIF-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(N3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNSUGMFKPZLPHB-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(N3CCC(c4ccccc4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEZGFZRXRIPXJC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2nc[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGGTDAFWWZFKC-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(NC3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZRYIWVFAOVTNE-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(NCc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEVMZBYZVUYNPE-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ccc2nc[nH]c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTLCAXKGOGPSDT-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(N3Cc4cccc(F)c4C3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCZLOQIZHKGQKK-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(N3CCc4ccccc4C3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZPAWGQIKFGIOG-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(N3CCCc4ccccc4C3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKWFTDMKSRUHY-UHFFFAOYSA-O", "SMILES:O=c1[nH]cnc2ccc([N+]3=Cc4ccccc4CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALTYKOZDBFABG-UHFFFAOYSA-O", "SMILES:O=c1[nH]cnc2ccc([N+]3=Cc4ccccc4CCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHJAMERUSRHSRZ-UHFFFAOYSA-O", "SMILES:CC1(C)C[N+](c2ccc3nc[nH]c(=O)c3c2)=Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVXLVHPVPSAISI-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(N3CCc4ccccc4CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQMXMLJZJXYBT-TXEJJXNPSA-N", "SMILES:O=c1[nH]cnc2ccc(N3C[C@H]4CCCC[C@H]4C3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLWSJLDCWWXKK-CHWSQXEVSA-N", "SMILES:O=c1[nH]cnc2ccc(N3CC[C@H]4CCCC[C@@H]4C3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPXLNBUZUKMDF-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(C3=Cc4ccccc4C3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPPQPUFOJKYDOE-OWOJBTEDSA-N", "SMILES:O=c1[nH]cnc2ccc(/C=C/c3ccc(F)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVMXDBCNYURLK-VOTSOKGWSA-N", "SMILES:O=c1[nH]cnc2ccc(/C=C/c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNQFMBGNTYYHCW-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(C#Cc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZMECRIDUHSRV-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(CCc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FERBYSFJWMDDMX-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2ccc(OCc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYFDHTZRADNHRK-OWOJBTEDSA-N", "SMILES:O=c1[nH]cnc2ccc(/C=C/c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJNJLMINZWEDY-BQYQJAHWSA-N", "SMILES:Cn1cnc2ccc(/C=C/c3ccccc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXDJWGTVWILAIK-UHFFFAOYSA-N", "SMILES:Nc1ccc(N2CCCC2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBOZBVJSMAXQPR-UHFFFAOYSA-N", "SMILES:Nc1ncnc2ccc(N3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOEWJNCKGHAPKO-BQYQJAHWSA-N", "SMILES:Cc1nc2ccc(/C=C/c3ccccc3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCWHRVMPENINMJ-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2cc(F)c(N3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQMKYZVISFTNOO-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2cc([N+](=O)[O-])c(N3Cc4ccccc4C3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOCAHNPICXQLLA-UHFFFAOYSA-N", "SMILES:Nc1cc2nc[nH]c(=O)c2cc1N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZGJVXFWXXJPDK-UHFFFAOYSA-N", "SMILES:Nc1cc2nc[nH]c(=O)c2cc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYAMNOPVQPBCD-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c(F)cc(N3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXHYXKCAJYGIL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(N2CCCC2)cc2c(=O)[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTSPQDQTPMIQAK-VOTSOKGWSA-N", "SMILES:O=C(O)c1cc(/C=C/c2ccccc2)cc2c(=O)[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAYHQNKQAQGSOF-UHFFFAOYSA-N", "SMILES:Nc1cc(N2CCCC2)cc2c(=O)[nH]cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDIJTARQCRIWQF-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2cc(O)c3nc[nH]c(=O)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDKBRFVCMYBVHG-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c(Cl)cc(N3CCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOPLAHVIYNNEHC-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2cc(N3CCCC3)c(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVGKEHWZBYXMX-LBPRGKRZSA-N", "SMILES:C[C@@H](CCCn1ccc2cc(-c3ncc4c(n3)NC(=O)CO4)c(F)cc2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANBFQFRAKHTKC-NSHDSACASA-N", "SMILES:C[C@@H](CCCn1ccc2cc(-c3ncc(Cl)c(N)n3)c(F)cc2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPUVCHHXGEKFJ-AWEZNQCLSA-N", "SMILES:C[C@@H](CCCn1ccc2cc(-c3ncc(C(F)(F)F)c(N4CC(C#N)C4)n3)c(F)cc2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGBJLHOOPBXPX-DGCWBMGLSA-N", "SMILES:C[C@@H](CCCn1ccc2cc(-c3ncc(C(F)(F)F)c(N4C[C@@H](O)[C@@H]4C)n3)c(F)cc2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOVOHQJMZULPA-CQSZACIVSA-N", "SMILES:O=c1[nH]ncc(N[C@H](CCCn2ccc3cc(-c4ncc(C(F)F)cn4)c(F)cc3c2=O)COC(F)F)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTLXUDPGUVJXDE-GFCCVEGCSA-N", "SMILES:Nc1nc(-c2cc3ccn(CCC[C@H](COC(F)F)Nc4cn[nH]c(=O)c4C(F)(F)F)c(=O)c3cc2F)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADIBUTKEQPBIFP-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)n(-c2ccccc2Cl)c2cc(C(F)(F)F)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBKNLRCQELAPIY-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CC(=O)N(c2ccccc2Cl)c2cc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRAIPVPDKJWYDT-UHFFFAOYSA-N", "SMILES:CNc1cc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIRWSOWAXGFEBX-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2ccccc2Cl)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVMLDHVSRVFHBP-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2ccccc2Cl)c2cc(C)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJNMGXZKFDELP-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2ccccc2Cl)c2cc(C3CC3)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMCOPNKEBCDBDT-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2ccccc2Cl)c2cc(C(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQANVVFQSDPTQN-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2ccccc2)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVJHKZWHDDONJ-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2ccccc2C(C)C)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALIYVHBCPCGCS-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2ccccc2F)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSMFUYIPPZSMQ-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2c(F)cccc2F)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRRRIFPNHWGCD-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2cccc(F)c2)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXOGDQAFJWVCP-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2cccc(C)c2)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULMMYHCWQORSD-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2cccc(Cl)c2)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZVCCGSKWYBBS-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2cccc(C#N)c2)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEXYXLKROYKDFO-UHFFFAOYSA-N", "SMILES:CNc1nc(=O)c(-c2ccc(C)cc2)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPDEWYEBGGMHP-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCCC2)n2ccc(C(F)(F)F)cc2c1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBZCHQNSNUVNK-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(=O)c(-c2ccccc2F)c2cc(C(F)(F)F)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HITSLUWVYDXVNX-UHFFFAOYSA-N", "SMILES:O=c1nc(NCC(F)F)n2ccc(C(F)(F)F)cc2c1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCWIQCMCBQXSID-UHFFFAOYSA-N", "SMILES:O=c1nc(NC2CCC2)n2ccc(C(F)(F)F)cc2c1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDZTFLFSCMPFS-HAQNSBGRSA-N", "SMILES:O=c1nc(N[C@H]2C[C@H](O)C2)n2ccc(C(F)(F)F)cc2c1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZZNGRRVRSQQAI-UHFFFAOYSA-N", "SMILES:O=c1nc(NC2CC2)n2ccc(C(F)(F)F)cc2c1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZAXLMBMGKVQSY-UHFFFAOYSA-N", "SMILES:O=c1nc(NC2CC2)n2ccc(C(F)(F)F)cc2c1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPGIHIDSHTDTP-UHFFFAOYSA-N", "SMILES:O=c1nc(NC2CC2)n2ccc(C(F)(F)F)cc2c1-c1cccnc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQOMODGVFXZCF-UHFFFAOYSA-N", "SMILES:O=c1nc(NC2CC2)n2ccc(C(F)(F)F)cc2c1-c1cccc(O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKWJTJXTNIUETG-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)c(C(=O)CCC(=O)O)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATQFEMJBLGFLSW-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)c(C(=O)CCC(=O)O)nc2cc(-c3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZILWSTTYRGKKL-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)c(C(=O)CCC(=O)O)nc2ccc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNIIGCNAPFSCEZ-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)c(C(=O)CCC(=O)O)nc2ccc(Cc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDYYSGVUVWACBS-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)c(C(=O)CCC(=O)O)nc2cc(Cc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZZIDWFSNBBTLN-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)c(C(=O)CCC(=O)O)nc2cc(Sc3ccccc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJXHGKKRZJQSS-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc3c(C#N)c(O)c(C(=O)CCC(=O)O)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCOQNONDZLACS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(-c2ccc3c(C#N)c(O)c(C(=O)CCC(=O)O)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGPXYDPBVVWUEB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(C#N)c(O)c(C(=O)CCC(=O)O)nc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAZOCXVUUFNJO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cccc3c(C#N)c(O)c(C(=O)CCC(=O)O)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVYCXZZAVEBSL-UHFFFAOYSA-N", "SMILES:CNc1nc(NCC2CCNCC2)c2cc(-c3ccccc3)ccc2n1"]}
{"name": "E3 ubiquitin-protein ligase TRIM58", "xref": ["CHEMBL.TARGET:CHEMBL5465334"], "id": "UniProtKB:Q8NG06", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTPRSFGGSCDKOB-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc3nc(NCC4CC4)nc(NCC4CCNCC4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRFNWVSSIAVOX-UHFFFAOYSA-N", "SMILES:CNc1nc(OCC2CCNCC2)c2cc(-c3ccccc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCQRYXXEPKXUGS-UHFFFAOYSA-N", "SMILES:CNc1nc(NC)c2cc(-c3ccccc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYDGLMAQQRJTK-UHFFFAOYSA-N", "SMILES:CCCCCCNc1nc(NCCCN(C)C)nc2ccc(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJMCTWBKQPRWTJ-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc(NCCc2ccccc2)c2cc(-c3ccccc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWOTVDZAKNTYGN-UHFFFAOYSA-N", "SMILES:CNc1nc(NCC2CCNCC2)c2cc(C3CCCCC3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQESDCZQQXAWMA-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc(NCC2CCNCC2)c2cc(-c3ccccc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFKPSQGXNYPNBM-GXDHUFHOSA-N", "SMILES:CC(C)=CCC/C(C)=C/CC1=C(O)C(=O)C([Si](C)(C)C)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTLFWTVQMPXQB-SFQUDFHCSA-N", "SMILES:CCCC[Si](C)(C)C1=CC(=O)C(C/C=C(\\C)CCC=C(C)C)=C(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQOIPSXFIYAYMX-XMHGGMMESA-N", "SMILES:CCCCCC[Si](C)(C)C1=CC(=O)C(C/C=C(\\C)CCC=C(C)C)=C(O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVAGKYEGBHMCI-RBUKOAKNSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(=O)C([Si](C)(C)CCCCCC)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNQVARRIIZHUKG-XSFVSMFZSA-N", "SMILES:CCCCCC[Si](C)(C)c1cc(O)c(C/C=C(\\C)CCC=C(C)C)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXOBFMOHWTNCK-UONOGXRCSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(=O)C([Si](C)(C)C)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXRUPSBPWXVNE-DLBZAZTESA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(=O)C([Si](C)(C)CCCC)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZIJKVKQZRXZLN-UHEQQTILSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLAWIGUBZLDNP-LIUBKFFNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUUYGRPULCAPQK-IWZJHKITSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKTDFCIJUBOOBW-IMHYNLMTSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABQOPKJUSVBKE-JQSQJYPPSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPYRXUPOTYKKV-IXLFXIALSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNGRTQKVQJZOW-XMURTRJZSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(NC(=O)CNC(=O)CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDHSLZUUTQWAGA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(NC(=O)CNC(=O)CC2c3ccccc3-c3ccccc32)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVLGQXWFADGQY-IHTBNCIRSA-N", "SMILES:O=C(CCCCCCNC(=O)c1ccc(-c2cn(CCCCCCOCCOCCNC(=O)CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)nn2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZWEDWQXOSEMZ-UHFFFAOYSA-N", "SMILES:NC1(COc2cc(F)c3c(c2)CC(CNCCC2CN(c4ccc5c(n4)NC(=O)CO5)C(=O)O2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUVWZPPMRFXVAK-UHFFFAOYSA-N", "SMILES:N#CCOc1cc(F)c2c(c1)CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATNSPUQRDBKCOK-UHFFFAOYSA-N", "SMILES:CN(C)C(C)(C)C(=O)Nc1cc(F)c2c(c1)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDLVAWIASMACL-UHFFFAOYSA-N", "SMILES:N#Cc1cc(OCC2(N)CC2)cc2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REMFYECIOFGXBB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCCOc1cc(C#N)c2c(c1)CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOIGEZIXURVNO-KSTDHSDQSA-N", "SMILES:C[C@H](C(=O)Nc1cc(F)c2c(c1)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOIGEZIXURVNO-SYJJWHGVSA-N", "SMILES:C[C@@H](C(=O)Nc1cc(F)c2c(c1)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2172517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NREZORVVJREMET-UHFFFAOYSA-N", "SMILES:Nc1sc(-c2ccc(F)cc2)c(CN2CCN(c3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOXKZTKWCOVDBE-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZWCVYMADZCMB-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2cccnc2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWVFCTZGTNHOPE-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2cccs2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOWYDFGPRMEZHE-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccc(Cl)s2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFHYACYMXAFIT-UHFFFAOYSA-N", "SMILES:Cn1cc(C#Cc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POASQMAPVBXWBF-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccccc2F)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUIYCRXJKZACH-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2cccc(F)c2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPFMTBTDOEFGU-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccc(F)cc2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIHDPUKDDKVKP-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccc(F)c(F)c2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFXUYZYNVYRTLG-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2cc(F)cc(F)c2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWKTZZFBBLWLLT-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2c(F)cccc2F)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNAMGCDDGBIHW-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccccc2Cl)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XARGLXALQWWHQI-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccccc2Br)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLXUQRJJZNNHFC-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccc(Br)cc2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBCDCODLDAEQKS-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccccc2C(F)(F)F)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCMGHMCZOMMVQY-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2cccc(C(F)(F)F)c2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTLJVOIOSABKND-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccc(C(F)(F)F)cc2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSQTUHFWPISOEX-UHFFFAOYSA-N", "SMILES:COc1ccccc1C#Cc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1CC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQBMBJRUIPGBKA-UHFFFAOYSA-N", "SMILES:COc1cccc(C#Cc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZEJMIJJMYBAFR-UHFFFAOYSA-N", "SMILES:COc1ccc(C#Cc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCDDKFIGRCTHZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2cccc(N)c2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGXAJOJUAEIDM-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccc(C(C)(C)C)cc2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFYSUOMHHTTYCD-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cc1c(C#Cc2ccc(-c3ccccc3)cc2)sc(N)c1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHRPZBNALHNBKF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)N3CCN4CCC3CC4)c3c2CCC3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEYAPPQZTLZNAY-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)N3CCN4CCC3CC4)c3c2CCC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBSZULQEKARAI-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)N3CCN4CCC3CC4)c3c2CCC3)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPLVTZAFJTIQB-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)N3CCN4CCC3CC4)c3c2CCC3)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKQJINNGXBRRCJ-UHFFFAOYSA-N", "SMILES:O=C(c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)N1CCN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVVZNJALLVMHBK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCN4CCC3CC4)c3c2CCC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNGHRJXDWKEWQM-AVRWGWEMSA-N", "SMILES:C[C@H]1CN(Cc2ccccc2C(=O)N[C@H]2N=C(c3ccccc3)c3ccncc3NC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBCFKFUKUXVZQS-UHFFFAOYSA-N", "SMILES:O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBCFKFUKUXVZQS-RUZDIDTESA-N", "SMILES:O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBCFKFUKUXVZQS-VWLOTQADSA-N", "SMILES:O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVQHBGVZWSZWMZ-SXMXNQBWSA-N", "SMILES:C[C@H]1COCCN1Cc1ccccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVQHBGVZWSZWMZ-ICCFGIFFSA-N", "SMILES:C[C@@H]1COCCN1Cc1ccccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBOWXSLYHJEPT-ICCFGIFFSA-N", "SMILES:C[C@@H]1CN(Cc2ccccc2C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBOWXSLYHJEPT-SXMXNQBWSA-N", "SMILES:C[C@H]1CN(Cc2ccccc2C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSRDSCNUSRLJAX-UHFFFAOYSA-N", "SMILES:CC1(C)CN(Cc2ccccc2C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJBDBZLGOUZGT-NNJHRLFQSA-N", "SMILES:C[C@@H]1CN(Cc2ccccc2C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAEYKCMDHVJQFQ-UHFFFAOYSA-N", "SMILES:O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1CN1CCn2nncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMTKGGFXGXHIQY-UHFFFAOYSA-N", "SMILES:O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1CN1CCn2nccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXBFDTXVVQAEAI-UHFFFAOYSA-N", "SMILES:Cn1ncc2c1CN(Cc1ccccc1C(=O)NC1N=C(c3ccccc3)c3ccccc3NC1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDNIHVWGUFENQL-UHFFFAOYSA-N", "SMILES:O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cnccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEYFMYDCIUPCO-UHFFFAOYSA-N", "SMILES:O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccoc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMOLVWJXWHOPE-UHFFFAOYSA-N", "SMILES:O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1sccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQQVMWPQPYINGZ-UHFFFAOYSA-N", "SMILES:O=C(NC1N=C(c2ccncc2)c2ccccc2NC1=O)c1ccccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPYKCXSLYXEFJ-UHFFFAOYSA-N", "SMILES:O=C(NC1N=C(c2cc[nH]c(=O)c2)c2ccccc2NC1=O)c1ccccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTBDURMIXZZVGV-UHFFFAOYSA-N", "SMILES:O=C(NC1N=C(c2ccc[nH]c2=O)c2ccccc2NC1=O)c1ccccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBOWXSLYHJEPT-AFMDSPMNSA-N", "SMILES:C[C@H]1CN(Cc2ccccc2C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBOWXSLYHJEPT-NIYFSFCBSA-N", "SMILES:C[C@@H]1CN(Cc2ccccc2C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFJHOAKKWQEQJJ-KCWXNJEJSA-N", "SMILES:COCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](NC(=O)c1ccccc1CN1CCO[C@@H](C)C1)N=C2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDUQWAKJWIVCS-WKRVVKTRSA-N", "SMILES:C[C@H]1CN(Cc2ccccc2C(=O)N[C@H]2N=C(c3ccccc3)c3ccc(C(=O)N4CCN(C)C(=O)C4)cc3NC2=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUOLMBXGHHSYHC-QWQFASRJSA-N", "SMILES:C[C@H]1CCCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c2)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXGXBTFDNVXKPX-LJQANCHMSA-N", "SMILES:CCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(C)=O)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXIFNIBTDFSMJP-LJQANCHMSA-N", "SMILES:CCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)CC)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFQLPOKVIMPDJC-HXUWFJFHSA-N", "SMILES:CCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)C2COC2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNIFIOVVISXXOJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CCN(C2CCC3(C2)CN(C(=O)C2COC2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGHIFKDWJWSHAZ-LJQANCHMSA-N", "SMILES:COc1cc(F)ccc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)C2COC2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWRDFLWHLHZRZ-LJQANCHMSA-N", "SMILES:COc1ccc(F)cc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)C2COC2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPIMRBIVXLFCQ-SFHVURJKSA-N", "SMILES:COc1ccccc1C1CCN([C@@H]2COC3(C2)CN(C(=O)C2COC2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVLILOSURWSRRI-SFHVURJKSA-N", "SMILES:COc1cc(F)ccc1C1CCN([C@@H]2COC3(C2)CN(C(=O)C2COC2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPJWTDJGQCKGZ-SFHVURJKSA-N", "SMILES:COc1ccc(F)cc1C1CCN([C@@H]2COC3(C2)CN(C(=O)C2COC2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQWRYRGMQKLIF-QGZVFWFLSA-N", "SMILES:O=C(N1CC2(CC[C@@H](N3CCC(c4cc(Cl)ccc4Cl)CC3)C2)C1)C1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQWRYRGMQKLIF-KRWDZBQOSA-N", "SMILES:O=C(N1CC2(CC[C@H](N3CCC(c4cc(Cl)ccc4Cl)CC3)C2)C1)C1(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSIYNRNZXUUGNH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(cnn3-c3cccc(Cl)c3Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIZTRFLFSSZSE-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(Sc4cccc(Cl)c4Cl)cnn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HISMEBLGFATKPW-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ccnc3c(Sc4cccc(Cl)c4Cl)cnn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDXEOYMHNDWIC-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3cc(-c4cccc(Cl)c4Cl)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNNODVFSEPFIIH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ncc(Sc3cccc(Cl)c3Cl)n3nccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACCDLDCDCLNKCH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3nc(Sc4cccc(Cl)c4Cl)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOJRGUHVBTZIR-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2ccc(Sc3cccc(Cl)c3Cl)n3nccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCSBHCNGJMJAW-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3nc(-c4cccc(Cl)c4Cl)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPBVNMZIVLSIV-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3nc(-c4cccc(F)c4Cl)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJHCUHULQWWLSQ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3nc(-c4cccc5ccccc45)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPILYXRPIMXNGK-UHFFFAOYSA-N", "SMILES:COc1cccc(Sc2ccc3nc(N4CCC(C)(N)CC4)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMZKUOVRTWVBDH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3nc(Sc4cccc(C#N)c4Cl)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPHYBUHBYGTOAL-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3nc(Oc4cccc(Cl)c4Cl)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XETBCFSFVAVHSU-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYQXKIRSCBUBZ-UHFFFAOYSA-N", "SMILES:COc1nccc(Sc2ccc3nc(N4CCC(C)(N)CC4)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNUZAYFKPTMKX-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3nc(Sc4cccn5nccc45)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZVDMPMSYYNXLJ-UHFFFAOYSA-N", "SMILES:CC1(CN)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSOVNVHPLHWGDA-UHFFFAOYSA-N", "SMILES:CNC1(C)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEYPUJZZGTSLW-NSHDSACASA-N", "SMILES:Nc1nccc(Sc2ccc3nc(N4CCC[C@H](N)CC4)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZSKBGMNPMNET-RYUDHWBXSA-N", "SMILES:Nc1nccc(Sc2ccc3nc(N4[C@H]5CC[C@H]4CC(N)C5)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNWRFAFSDEIMQ-ORMTXKICSA-N", "SMILES:Nc1nccc(Sc2ccc3nc(N4C[C@H]5C[C@@H](C4)[C@H]5N)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANVDWAEBRQKDI-SWLSCSKDSA-N", "SMILES:Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)C[C@@H](O)C[C@H]5N)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNWPAKCFVFDYQN-KPZWWZAWSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNIYTWAJXXHCLG-JOCHJYFZSA-N", "SMILES:Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCDKHVMBHOTRTK-JOCHJYFZSA-N", "SMILES:Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cc(F)ccc4[C@H]5N)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSVLQUPXLDCENB-HSZRJFAPSA-N", "SMILES:COc1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPLHAXDRIIJALD-JOCHJYFZSA-N", "SMILES:Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cc(Cl)ccc4[C@H]5N)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCWKDUZVMTXRX-HSZRJFAPSA-N", "SMILES:Cc1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWQAQACZKDLJAW-OAQYLSRUSA-N", "SMILES:Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4ncccc4[C@H]5N)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFYWVDVFMZNBBB-JOCHJYFZSA-N", "SMILES:Cc1ccc2c(n1)CC1(CCN(c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)CC1)[C@@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URLQCJFKEIJEMW-OAQYLSRUSA-N", "SMILES:Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4ncc(F)cc4[C@H]5N)cnc3n2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBHOXURWAZHPOP-JOCHJYFZSA-N", "SMILES:COc1cnc2c(c1)[C@@H](N)C1(CCN(c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFDUKFTZGITTE-KBAYOESNSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(CF)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLAKTZEBLZHSJ-YVWKXTFCSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLJKLBZJIZNCRS-BHIYHBOVSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(-c2cn[nH]c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZLHFKZPRJDARM-BCTVQRCUSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@]4(CC3)COC(=O)N4C)cc2cc1C(=O)Nc1cccn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQKQMFRLFTWHA-WGSAOQKQSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](n4ccccc4=O)CC3)cc2cc1C(=O)Nc1cccn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOJZTCLQTZXQSX-YGXOWLSWSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](n4ccnc4C(C)O)CC3)cc2cc1C(=O)Nc1cccn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQUWYOVOFOLZGL-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQRLSVALWQPPKS-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cccc(C(F)(F)F)c3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPZYBLBKKJWDL-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(Oc4ccccc4)cc3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPMNRPOOBJBDB-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cccc(Oc4ccccc4)c3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMXUUQZIPKYQN-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(-c4ccccc4)cc3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHVJTPRCBNCGW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)Nc2nc(NCCN)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJDHEVPDLZWBB-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2nc(NCCN)nc3c2cnn3C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRBMPFHGLUTGEN-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNc2nc(NCCN)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPVWVRKRVHOGOD-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCCc3ccc4c(c3)OCO4)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPXAKIJSVHKLFV-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc4occc4c3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTLYDWYJOSGIH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cccc(Nc3nc(NCCN)nc4c3cnn4C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DANRWQLEVILUMG-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCC3CCN(S(=O)(=O)c4ccccc4)CC3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSRJXQUWWNXMU-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc4nc[nH]c4c3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUXQTWIBBQKOJN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(Nc3nc(NCCN)nc4c3cnn4C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRZNBMALSPQCGE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(Nc3nc(NCCN)nc4c3cnn4C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGOVFCFZXRBQDE-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cccc(-c4ccccc4)c3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWALWSXRXWZCHJ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(F)c(Cl)c3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKOIOBMEPTUPIO-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(Cl)cc3F)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDWLEZSFOLSNR-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(F)cc3F)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEKMEDJUVVTOMI-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(CNc2nc(NCCN)nc3c2cnn3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFCTMLXUQOIGN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(NCCN)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIYZGUQEQIYOLE-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(NCCN)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRRPTKAOUKNCZ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3cccc(C(F)(F)F)c3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQYCJAANMGMOQW-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(NCCN)nc3c2cnn3C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWJRGJDWDSIBEM-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(NCCN)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IONAFTAFPNNMAP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(NCC(C)(C)N)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNFWKJFVCZOJBX-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(NCC(C)(C)N)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQVCKTBBUQDUIY-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(-c4ccccc4)cc3)nc(NCC(C)(C)N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOHDRZCPVPCNA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(NCCN)nc3c2c(C)nn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIGMTMUXDBSVEX-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(NCC(C)(C)N)nc3c2c(C)nn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTVLZZHFCZKAT-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NCC(C)(C)N)nc(NCc3ccc(-c4ccccc4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABPMBUVUJGNLI-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3(N)CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVJCOGBWPQHNAO-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NCC(C)(C)N)nc(Nc3cccc(C(F)(F)F)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJWUCHTTZFVLC-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(NC3CCCCC3N)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRHSTJSOJUEKST-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NCC3(N)CCOCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPQJLFHWEYEDAH-OLZOCXBDSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(N[C@H]3COC[C@H]3N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKLDNXUHKXHNFU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCC(CNc3nc(NCCN)nc4c3cnn4C)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEERPFPYPQQCQI-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NCC(C)(C)N)cc(NCc3cccc(C(F)(F)F)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSQIYVFBKSSSW-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(NCCN)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYVTWWYTORLHCA-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCC3CCN(C(=O)OC(C)(C)C)CC3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCVNMXWUIDIBCH-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCC3CCN(Cc4ccccc4)CC3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIRSUQZQBTPNE-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCC3CCN(C(=O)c4ccccc4)CC3)nc(NCCN)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAPWQNBCHDIINB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(NCC3(N)CC3)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAIIBCNXPDAMN-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(F)c(Cl)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSFHYMMLPWPEDF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)c(F)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBZKAPTJWTQLT-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(NCC3(N)CC3)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXYQPJNADWOII-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(F)cc3F)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYBJXSGHEHFLIY-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cccc(C(F)(F)F)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXBFMANTHCUHJK-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cccc(C(F)F)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXBCCABQJNVXGF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(F)cc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGDIFUCVIHZZLQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(NCC3(N)CC3)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DASXPUFMCXOUBA-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cccnc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWQOUIORKHNPF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccccc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMRZZAKAMYNCH-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3cccc(Br)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTLXWGMSURJOX-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(Br)cc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVZMGHMXVTXNP-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(F)cc3Cl)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFBJVOHCPCZOQV-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(Cl)cc3F)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWZMCKAYZTYFPZ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cc(F)cc(Cl)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZIJHMXHNCUNKO-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(Cl)c(C#N)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYXNUDAPGCXDIX-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC34CC(c5ccccc5)(C3)C4)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHDERGHNPHOMH-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(C(F)(F)F)nc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHPZFOURDPRJE-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cc(F)c(Cl)c(F)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIFPDHPHOLHJNK-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cccc(OC(F)F)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAWSKCLXLLNRKU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(NCC3(N)CC3)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLTRCIIGGHIURM-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(Cl)c(F)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSNYPUYRWSPEQK-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cccc(F)c3F)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIHSZBOFWSLJRM-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cc(F)ccc3F)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLDMJMHCRMZFLO-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cc(F)cc(F)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLHUAERUXXMHNN-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(F)c(Cl)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDRXLROHCVHEM-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(Cl)cc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBCRQWDNSPMVRR-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cccc(F)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJOMTRKUTDXSDL-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NCC3(N)CC3)nc(Nc3ccc(C(F)(F)F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXWKQLTVMTWKB-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C#N)cc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUACDUIDJYBNP-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUKWZVNFPCSLI-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(NCC3(N)CC3)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEGZZDJWKUCMFX-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)F)cc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXVWKBRZMWUWLF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cccc(Cl)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCZTZEMIUHSPPR-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)F)cc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDODALBBIWUQQO-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC34CC(C#N)(C3)C4)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNRAIQRJNBCXRS-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC34CC(C3)C4)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHFPIICYYSKLKL-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(F)c(F)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBBZSOXCOACIAC-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(Cl)c(Cl)c3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEBRDVWHBJXIBX-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(NCC3(N)CC3)nc3c2cnn3C)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXXSIQLTJKFCD-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(NCC3(N)CC3)nc3c2cnn3C)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFGISFZKQNKBT-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC34CC(F)(C3)C4)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWYHJZRRFCEXTD-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWKUQIGZCGTGDS-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFINTSRCNFJMG-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(Cl)cn3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIFPREDHWAQGAM-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cnc(C(F)(F)F)cn3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFTYWKWVEGOAEF-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWYHJZRRFCEXTD-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWKUQIGZCGTGDS-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMQXENABWJZPPM-UHFFFAOYSA-N", "SMILES:C#CCCC1(CCOc2ccc(CNc3nc(NCC4(N)CC4)nc4c3cnn4C)cc2Cl)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEBSJQMCIYCFJ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)cc(NCC3(N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTLCUYRHXKKNOB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(NCC(C)N)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCPAGPZAJINBV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(NC(C)CN)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTLCUYRHXKKNOB-NSHDSACASA-N", "SMILES:Cc1ccc(CNc2nc(NC[C@H](C)N)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTLCUYRHXKKNOB-LLVKDONJSA-N", "SMILES:Cc1ccc(CNc2nc(NC[C@@H](C)N)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYRCQNVTKBOQFB-ZDUSSCGKSA-N", "SMILES:CC[C@@H](CN)Nc1nc(NCc2ccc(C)c(Cl)c2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOSFNSALMRPDN-ZDUSSCGKSA-N", "SMILES:CC[C@H](N)CNc1nc(NCc2ccc(C)c(Cl)c2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOSFNSALMRPDN-CYBMUJFWSA-N", "SMILES:CC[C@@H](N)CNc1nc(NCc2ccc(C)c(Cl)c2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEXRZFADTJJWAF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3(N)CCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUPLGQLELFDWJI-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)F)cc3)nc(NCC3(N)CCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJYGUPTPBKWGE-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)C3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAOHQEMZPBIFSV-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC(N)C3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQCXWDFQVAMOLO-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3(N)CC(F)(F)C3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGTMVRHSCRQYFV-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC(N)C3CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIWWPXSRBKGGF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3(N)CCOC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVWDQSXHSFPYLZ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NCC3(N)CCOC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWHZUGUIMDYJW-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3COCCN3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSGDWJFYSVKLV-CQSZACIVSA-N", "SMILES:Cc1ccc(CNc2nc(NC[C@H]3CCCN3)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSQYQYZOXNJWEQ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3(N)CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTMOCSYKUNYQGO-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NCC3(N)CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDUEKGEOCMCHV-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)F)cc3)nc(NCC3(N)CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJVIHVYNPVMLH-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccccc3)nc(NCC3(N)CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZKMOBYMWBSSKZ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C#N)cc3)nc(NCC3(N)CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXNDLIKPTXMIKD-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)nc(NCC3(N)CCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEXRZFADTJJWAF-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3(N)CCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZSSZIHNQQCOAV-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(NCC(N)CF)nc3c2cnn3C)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMUZFAHXXOQNOQ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC(N)CF)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGMXQGFYBHPNT-UHFFFAOYSA-N", "SMILES:COCC(N)CNc1nc(NCc2ccc(C)c(Cl)c2)c2cnn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZFDCHANXWTMN-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC3(N)COC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNKCVYLHNAZMU-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccccc3)nc(NCC3(N)COC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQRDCBXZBZUMBC-VPYROQPTSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(NC(C)(C)C)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXCGRVWPPYPGL-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(NC(C)C)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBJTDXQGOKZRZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(NCC(N)c3ccccc3)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZGLBYEYFXORS-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(F)cc3F)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYWVQUYRLSWNHU-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(F)c(Cl)c3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLLGPVUZRXXLIV-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3cccc(Br)c3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSAUTAGGKNKWDR-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(Br)cc3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHIRQRAXXFMJNQ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCc3ccc(C(F)(F)F)nc3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOHNCFCTXIUTC-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(NCC(N)c3ccccc3)nc3c2cnn3C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWOHMJQJSQAMC-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(F)cc3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRQOMWZYDDESGI-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3cnc(C(F)(F)F)nc3)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHYDGCAKEPRIKG-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWCYPZLLGBILIB-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(Cl)c(Cl)c3)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOJQCHCZLRDGB-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)F)cc3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOOACMQIRIKHQ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)F)cc3)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOJQCHCZLRDGB-KRWDZBQOSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)F)cc3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIPTCWKQVODOH-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKILHJDDDGGDQT-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c2nc(NCC(N)c3ccccc3)nc(Nc3ccc(C(F)(F)F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSGFRVSSPAMNH-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIPTCWKQVODOH-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSGFRVSSPAMNH-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIPTCWKQVODOH-KRWDZBQOSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIPTCWKQVODOH-QGZVFWFLSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NC[C@@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIPTCWKQVODOH-DBHFXHLNSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQEGGLKJFKEMEC-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMGDAWDSVAUCD-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMGDAWDSVAUCD-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRLJSCHSNHSPE-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)F)nc3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKODSDKUDWVOI-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(OC(F)F)nc3)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLFXMQLZZDXAGE-KRWDZBQOSA-N", "SMILES:Cn1ncc2c(Nc3ccc(Cl)cc3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLFXMQLZZDXAGE-QGZVFWFLSA-N", "SMILES:Cn1ncc2c(Nc3ccc(Cl)cc3)nc(NC[C@@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LADXCDOVFHLICJ-SFHVURJKSA-N", "SMILES:COc1ccc(Nc2nc(NC[C@H](N)c3ccccc3)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBGBYUMHMKMRNZ-FQEVSTJZSA-N", "SMILES:CC(C)Oc1ccc(Nc2nc(NC[C@H](N)c3ccccc3)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGGRHXQIVKHXTF-KRWDZBQOSA-N", "SMILES:Cn1ncc2c(Nc3ccc(F)c(F)c3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPBZJLKCTZUYKS-IBGZPJMESA-N", "SMILES:CN(C)c1ccc(Nc2nc(NC[C@H](N)c3ccccc3)nc3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEKFWXRNITVMX-UHFFFAOYSA-N", "SMILES:CNc1nc(NCC(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEKFWXRNITVMX-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])Nc1nc(NCC(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEKFWXRNITVMX-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(NC)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKQEGSCWBJSDV-UHFFFAOYSA-N", "SMILES:CNc1nc(NCC(C)(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEKFWXRNITVMX-LBPRGKRZSA-N", "SMILES:CNc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDKLPFRJRGBFAB-UHFFFAOYSA-N", "SMILES:CCNc1nc(NCC(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOSPBCZUZYGID-UHFFFAOYSA-N", "SMILES:CCN(C)c1nc(NCC(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWOMPSKWOYBYJZ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC3CC3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOWHSALJLYMUGY-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCC(F)(F)F)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOWHSALJLYMUGY-LBPRGKRZSA-N", "SMILES:Cn1ncc2c(NCC(F)(F)F)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYWGTQBDYYXEQ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(NCC(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYWGTQBDYYXEQ-AWEZNQCLSA-N", "SMILES:CC(C)Nc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHLCEXDKOVDMPR-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(N3CCCC3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORQKSQEJGBQGQ-UHFFFAOYSA-N", "SMILES:COCCNc1nc(NCC(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYVWBNRYAVWHA-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQRDCBXZBZUMBC-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYVWBNRYAVWHA-GKOSEXJESA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYVWBNRYAVWHA-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYVWBNRYAVWHA-CQSZACIVSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYVWBNRYAVWHA-KRFVKYSKSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(NC(C)(C)C)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJHOYENXGJPWOT-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NCC3CC3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQCAGQNGTGMRNF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C3CC3)C3CC3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBJAOZQYOPUEO-PXCJXSSVSA-N", "SMILES:CC1CC1CNc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVKWSSDVCROUDO-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C3CC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKOBWNOQMYPNPP-WMCAAGNKSA-N", "SMILES:Cn1ncc2c(NCC3CC34CC4)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPYYQQPTYTJEU-PYMCNQPYSA-N", "SMILES:Cn1ncc2c(NCC3CC3(F)F)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCFDDNEWLZTRT-WMCAAGNKSA-N", "SMILES:Cn1ncc2c(NCC3CC3(C)C)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILOHMHQIMOGVKP-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC34CC(C3)C4)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJZRZGEOCKJBB-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC34CC(C#N)(C3)C4)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLQXSOSEVGGFC-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC34CC(F)(C3)C4)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILOHMHQIMOGVKP-IHBYNMNLSA-N", "SMILES:Cn1ncc2c(NC34CC(C3)C4)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLQXSOSEVGGFC-YCMKEVRSSA-N", "SMILES:Cn1ncc2c(NC34CC(F)(C3)C4)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRNHJZQGZNJZLQ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC3CCC(F)(F)CC3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNFTOQBKLVFRU-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NC3CCOCC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNKTEBUMZJUPZ-HNNXBMFYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)CCO)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOOPLSQYANOSQA-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC(C)(C)CO)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGTWZRJCQCKJL-HNNXBMFYSA-N", "SMILES:Cn1ncc2c(NCC(C)(C)C)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXZCUJOMTHQYCR-LBPRGKRZSA-N", "SMILES:Cn1ncc2c(NCC(F)F)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEKFSRDKSHJCC-ZDUSSCGKSA-N", "SMILES:Cn1ncc2c(NCC(C)(F)F)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYGWXKRRCBZWJJ-ZDUSSCGKSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C(F)(F)F)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGWISBUPEZCJCM-GWCFXTLKSA-N", "SMILES:C[C@H](Nc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AADMJGOHLJBTJK-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC3(C)CC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABEZGLWDZQVQHR-ZDUSSCGKSA-N", "SMILES:Cn1ncc2c(NC3(C(F)(F)F)CC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVYXTMMGJUKPW-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NC3(C(C)(C)C)CC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJWYKIKRKSUIG-MLCCFXAWSA-N", "SMILES:Cn1ncc2c(NC3CC34CC4)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLVCTDHRJBCFO-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC3CC(CO)(CCl)C3)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBRNZFLYIMTIQF-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC3CC4(C3)CC(F)(F)C4)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLJWNOKVJPLSW-HNNXBMFYSA-N", "SMILES:Cn1ncc2c(NC3CCC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATDTYJOSPDZLI-HNNXBMFYSA-N", "SMILES:Cn1ncc2c(NC3(C)CCC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPIFMSBCOUXEY-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC3CC(F)(F)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIGGOHWRUJXAS-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC3(C)CC(F)(F)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBKSQWTKBMBDM-PXCJXSSVSA-N", "SMILES:CC1CC(Nc2nc(NC[C@H](N)c3ccccc3)nc3c2cnn3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNKLBWLQSOGND-PIMMBPRGSA-N", "SMILES:Cn1ncc2c(NC3CC(F)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNKLBWLQSOGND-YDHLFZDLSA-N", "SMILES:Cn1ncc2c(N[C@H]3C[C@H](F)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQNKLBWLQSOGND-GUTXKFCHSA-N", "SMILES:Cn1ncc2c(N[C@H]3C[C@@H](F)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEFGEPZTIJBRO-PXCJXSSVSA-N", "SMILES:Cn1ncc2c(NC3CC(C#N)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFYXCYDQAJQIB-XUJLQICISA-N", "SMILES:COC1CC(Nc2nc(NC[C@H](N)c3ccccc3)nc3c2cnn3C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJIHNKXCKMLLOR-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC3CC(Cl)(Cl)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBRNZFLYIMTIQF-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NC3CC4(C3)CC(F)(F)C4)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRHRUCJWJUYIAU-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NC3CC4(COC4)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCYKOBCSQYXSTE-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NC3CC(C)(C)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGZJVJPLMAWSV-BTUGKURYSA-N", "SMILES:Cn1ncc2c(NC3CC(C)(F)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XACDDEYCSUEXJM-KRWDZBQOSA-N", "SMILES:Cn1ncc2c(NC3CC4(CCC4)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJNGBNMGXLKUDH-HNNXBMFYSA-N", "SMILES:COCC(C)(C)Nc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTRFUSYJGAZZSU-HNNXBMFYSA-N", "SMILES:CCC(C)(C)Nc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXIOTWYGJVEJQ-LRDDRELGSA-N", "SMILES:C[C@H](Nc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRPNAZQNJOIFF-HNNXBMFYSA-N", "SMILES:CC(C)CNc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGGSLLXUXHMFBW-LWKPJOBUSA-N", "SMILES:Cn1ncc2c(NCC3CC34CCC4)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDBXGUKKVVVRDD-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NCC3CCC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSASHGOBKSGMS-WUJWULDRSA-N", "SMILES:Cn1ncc2c(NCC3CCC3(F)F)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLVHRWHDKMWKAI-HNNXBMFYSA-N", "SMILES:Cn1ncc2c(NCC3(F)CCC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCNPVWMRXYEBGC-PXCJXSSVSA-N", "SMILES:Cn1ncc2c(NCC3CC(F)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQOIZDXEJFKWNA-PXCJXSSVSA-N", "SMILES:Cn1ncc2c(NCC3CC(C(F)(F)F)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROUJTYPDSVTVLN-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NCC(C)(C)F)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCGBUBOQNUAHTI-KRWDZBQOSA-N", "SMILES:Cn1ncc2c(NC3(C)CCCCC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCILVHUYVDCETN-BCLQGDPASA-N", "SMILES:Cn1ncc2c(NCC3CCC3F)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKWZPDXNLCKRIY-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NC3CCCC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAYYUFGLOGLAPA-ZDUSSCGKSA-N", "SMILES:Cn1ncc2c(NCCC(F)(F)F)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCNOIKWEBXTXKQ-PYMCNQPYSA-N", "SMILES:Cn1ncc2c(NCC3CC3(Cl)Cl)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVOWTEGYSKWNGK-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NC3(C)CCCC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVHXDIGCTVRTJP-DOMZBBRYSA-N", "SMILES:COC[C@@H](C)Nc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRGSYQRHQVHQA-SFHVURJKSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C3CCOCC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCDVNCUJUFKUDY-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NC3CC4(CC4)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXGWMSYMJARNE-MLCCFXAWSA-N", "SMILES:Cn1ncc2c(NC3CC3(C)C)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBRZJOJUDQVDX-INIZCTEOSA-N", "SMILES:CC(C)(C)Nc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYBAWWBSLCMPMV-CJNGLKHVSA-N", "SMILES:CC(C)[C@@H](C)Nc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYBAWWBSLCMPMV-BBRMVZONSA-N", "SMILES:CC(C)[C@H](C)Nc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHINLWPYLVSINL-NKUFWVAESA-N", "SMILES:Cn1ncc2c(NC3CC4(CC(O)C4)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEFVHBMLDNPPKL-DQPZFDDXSA-N", "SMILES:Cn1ncc2c(NC3CCC(C(F)(F)F)CC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHDDIUSETVYFV-WUJWULDRSA-N", "SMILES:Cn1ncc2c(NC3CCC(F)(F)C3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFTSUOFDHZSIGS-INIZCTEOSA-N", "SMILES:Cn1ncc2c(NC3(C)CCOCC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAXXUKLBXGRZLO-AWEZNQCLSA-N", "SMILES:Cc1nn(C)c2nc(NC[C@H](N)c3ccccc3)nc(NC(C)(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXIOTWYGJVEJQ-WBMJQRKESA-N", "SMILES:C[C@@H](Nc1nc(NC[C@H](N)c2ccccc2)nc2c1cnn2C)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIBIGSWGSNUBS-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc(NCC(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLHDPDRDGGVRAV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(NCC(N)c3ccccn3)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFACZQSKWNVRIM-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC(N)c3ccccn3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXDUNINYCPAPD-UHFFFAOYSA-N", "SMILES:CNc1nc(NCC(N)c2cccc(C#N)c2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHKAGQLYOBQKY-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(C(N)CNc2nc(NC(C)(C)C)c3cnn(C)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDNSMUSUBPPLN-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccccn3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDBBGCZDUMGDU-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(NCC(N)c3cccnc3)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTJBPVIANHHQL-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3cccnc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQGRMXQSCEMSQ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCC(N)c3ccccc3Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSHXEBYCQGABNU-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccccc3Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSHXEBYCQGABNU-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@H](N)c3ccccc3Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGPSYGUIFPOLRA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(NCC(N)c3ccccc3F)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQZPMMUPDCAFS-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQZPMMUPDCAFS-GKOSEXJESA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANEIVFGUGUWREL-AWEZNQCLSA-N", "SMILES:CC(C)Nc1nc(NC[C@H](N)c2cccc(Br)c2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKFDQCKLAMFHR-ZDUSSCGKSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C(F)(F)F)nc(NC[C@H](N)c3cccc(Br)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGUJJJAPZSKOT-UHFFFAOYSA-N", "SMILES:CNc1nc(NCC(N)c2cccc(Br)c2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEEBXNKGHDTZNN-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3cccc(Br)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWROHFLORMHPCC-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(NCC(N)c2ccc(Br)cc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVNTUWCXDXBDD-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccccc3Br)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWRZCIYAJYARCD-UHFFFAOYSA-N", "SMILES:CNc1nc(NCC(N)c2ccc(C#N)cc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADAAWVNPSRVCE-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3cccc(C#N)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVYDRLIVPMZCW-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C(F)(F)F)nc(NC[C@H](N)c3cccc(C#N)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMURDPLZFLZNDJ-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC3CC(F)(F)C3)nc(NCC(N)c3cccnc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVUWTORUZLCBRH-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccncc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZIZKRLVFNUOB-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC3CC(F)(F)C3)nc(NCC(N)c3ccncc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWMNAMBLXAQKBF-HNNXBMFYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@H](N)c3ccc(C#N)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKAAQWAFNKKAQ-HNNXBMFYSA-N", "SMILES:CN[C@@H](CNc1nc(NC(C)(C)C)c2cnn(C)c2n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLGVBKWPKKCDB-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccc(F)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMKQKOITBWLXGX-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccc(F)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDHIEDXLBUQDFL-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3cccc(C4CC4)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZPBQGUZXKLOER-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NCC(N)c3ccc(C4CC4)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUXBXSVTLQTHC-UHFFFAOYSA-N", "SMILES:CCOc1nc(NCC(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSCGYAGWKBXGHR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc(NCC(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBHMZVADNCTQL-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(OC(C)(C)C)nc(NCC(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJWUCHTTZFVLC-SJORKVTESA-N", "SMILES:Cc1ccc(CNc2nc(N[C@H]3CCCC[C@H]3N)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEJWUCHTTZFVLC-IAGOWNOFSA-N", "SMILES:Cc1ccc(CNc2nc(N[C@@H]3CCCC[C@H]3N)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWOMPSKWOYBYJZ-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC3CC3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWOHMJQJSQAMC-KRWDZBQOSA-N", "SMILES:Cn1ncc2c(Nc3ccc(F)cc3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWOHMJQJSQAMC-QGZVFWFLSA-N", "SMILES:Cn1ncc2c(Nc3ccc(F)cc3)nc(NC[C@@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOWHSALJLYMUGY-GFCCVEGCSA-N", "SMILES:Cn1ncc2c(NCC(F)(F)F)nc(NC[C@@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQEGGLKJFKEMEC-HNNXBMFYSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NC[C@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQEGGLKJFKEMEC-OAHLLOKOSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NC[C@@H](N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKQEGSCWBJSDV-INIZCTEOSA-N", "SMILES:CNc1nc(NC[C@](C)(N)c2ccccc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQZPMMUPDCAFS-CQSZACIVSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@@H](N)c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQZPMMUPDCAFS-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@H](N)c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMGDAWDSVAUCD-FQEVSTJZSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NC[C@](C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZFUJGZQDUTNLU-LBPRGKRZSA-N", "SMILES:Cc1ccc(CNc2nc(NC[C@@H](N)CF)nc3c2cnn3C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMGDAWDSVAUCD-HXUWFJFHSA-N", "SMILES:Cn1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc(NC[C@@](C)(N)c3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQZPMMUPDCAFS-FRBPAEEZSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(NC(C)(C)C)nc(NC[C@@H](N)c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQZPMMUPDCAFS-KRFVKYSKSA-N", "SMILES:[2H]C([2H])([2H])n1ncc2c(NC(C)(C)C)nc(NC[C@H](N)c3ccccc3F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYLGVBKWPKKCDB-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@H](N)c3ccc(F)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMKQKOITBWLXGX-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@H](N)c3ccc(F)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMKQKOITBWLXGX-CQSZACIVSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@@H](N)c3ccc(F)c(F)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJYGUPTPBKWGE-AWEZNQCLSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@H](N)C3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJYGUPTPBKWGE-CQSZACIVSA-N", "SMILES:Cn1ncc2c(NC(C)(C)C)nc(NC[C@@H](N)C3CCCCC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFJCIRLUMZQUOT-XRDCAIOLSA-N", "SMILES:CO[C@H]1CC2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5408734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUDVRGWAZXMONT-RZLHGTIFSA-M", "SMILES:Nc1c(/N=N/c2ccc(Br)cc2)cc(S(=O)(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFNEYHXVXJXMB-RZLHGTIFSA-M", "SMILES:Nc1c(/N=N/c2ccc(I)cc2)cc(S(=O)(=O)[O-])c2ccccc12.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBQYHRKGPKDOZ-OCOZRVBESA-N", "SMILES:Nc1c(/N=N/c2ccc(Oc3ccccc3)cc2)cc(S(=O)(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYAMXGRRBQMPF-ATXIYDNESA-N", "SMILES:Nc1c(/N=N/c2ccc(Oc3ccc(/N=N/c4cc(S(=O)(=O)O)c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFQYFPYXXBSYCP-HKXUKFGYSA-L", "SMILES:Nc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(N)c5ccc(S(=O)(=O)[O-])cc45)cc3)cc2)c2cc(S(=O)(=O)[O-])ccc12.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENFHDMTDSACBP-ATXIYDNESA-N", "SMILES:Nc1c(/N=N/c2ccc(SSc3ccc(/N=N/c4cc(S(=O)(=O)O)c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5207656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYGMRWLAAIDOKM-ZSOIEALJSA-N", "SMILES:FC(F)(F)Oc1ccc(/N=c2\\ssnc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4874781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYIXKUPQIXUKM-LCYFTJDESA-N", "SMILES:N#Cc1c(Br)cccc1/N=c1\\ssnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVIDULREVKHDHT-LCYFTJDESA-N", "SMILES:N#Cc1cc(Cl)ccc1/N=c1\\ssnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3753379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQXYAMWVMIBBZ-LCYFTJDESA-N", "SMILES:N#Cc1cc(Br)ccc1/N=c1\\ssnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXLBIDYGIUEHX-LCYFTJDESA-N", "SMILES:N#Cc1ccc(Cl)cc1/N=c1\\ssnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJONGLFMDKXCOY-WQLSENKSSA-N", "SMILES:Fc1ccc(Cl)cc1/N=c1\\ssnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCLOXVADFBDOAX-NVNXTCNLSA-N", "SMILES:FC(F)(F)Oc1ccc(/N=c2\\ssnc2Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPKDKDXRQSGMW-UDWIEESQSA-N", "SMILES:N#C/C=N/c1c(SS)c(-c2ccccc2)nn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNAPSXRMQONEC-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(Cl)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLNWJWHGSSYOA-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADHWQVLDAUKTNT-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGBHHNZWQSPJBT-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSSGYJAXBYEIZ-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)c(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNDIQUDRQXQQS-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cnccn2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXFXZQJGCNPYMF-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRUAWLYJFMSJX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccnc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPZEDQJHFXLAB-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBQSKQQZTZHSD-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXBUMCBXVFLCCQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccnc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCOHMXMOFOFZMC-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(NC(=O)Cc3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUORHDTYEJRTMK-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccnc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDBGTZIZCXZAR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccnc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(OCC(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDCWGJJUBQVAJO-UHFFFAOYSA-N", "SMILES:O=C(Cc1nc(NS(=O)(=O)C2CC2)ncc1F)Nc1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNISBAMORESRL-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccnc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UATSAZTVLFSZRR-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccnc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYZKVNMQWJJXSZ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)Cc3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSQFRRATNWHEH-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(NC(=O)Cc3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFMRDQAGHJMER-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccnc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(OCC(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFTYHTVGZPXWTC-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(NC(=O)Cc3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQJXWTDODCESBC-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CCC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUGOILPZARBUBL-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CCC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHQPMRPYIQSQAW-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CCC4)n3)c(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZGDWCULICCHC-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CCC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAIABAWNRIKOKK-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CCC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVOUOZMHSNKTGS-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2cnc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCZPQWPVDRARD-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAUBCEKZDIXMOC-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cccnc2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRKUDBCWMXIDTK-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCMBOWGVQZKULX-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVZDIJVUUKJGLR-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(OC3CC3)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYFQITXAOPRIM-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEEJISBZMOCHMH-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C#N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTPVKCKBQBKLT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BODKMHJPNGIXNQ-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNTXQFEQNUYPA-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USFXFJVPDUYYDJ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRPPKVXOLZPJO-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJWVGTQMQOPJCN-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2cc(F)c(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DECKZBNYFHUOQW-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2cc(F)c(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVADJHQNKKQNGH-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZWQNSLZUPGWFM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cncc(C(F)(F)F)n2)ccc1NC(=O)C(C)(C)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBOFMKKHZVBCQ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C)c2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTMXUDOBMBVCH-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2cc(C)c(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHGCRMLQUSLPLN-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2cc(C)c(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUQIHAWVDXCEMK-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(OC(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYLMPQBSFDKTJP-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2cc(OC)c(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVBLNSQBNSQEL-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RABVNCXSYNLFAB-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncnc2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXABKNSTGYMFK-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(Cl)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCXKHRFACCDPIV-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C#N)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXZDDNWMJCEILB-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(F)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXQMOYWEDGSSIF-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWOVASIVSHJDLK-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(OC(F)F)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQIBKLIWECLXTA-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRHLVOBAQDKIU-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMAWHHNRPVLMFG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEIPXWOFYVTRMC-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOXNKBYJOMBZJG-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORAPSQRMTYUKMO-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVLWASOTIKHRNM-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cccc(C#N)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PISXBPVQERYZJM-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZDYAGCKXOQRLG-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRKSDDMWANYBT-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNSPDXUXZOHDBR-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(OC3CC3)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPVMRSYQBBXPNK-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLANLGDHORHZFQ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3nc(NS(=O)(=O)C4CC4)ncc3F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLDAJXGQUYLYGF-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4(C)CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWLSWNZYMINNO-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3nc(NS(=O)(=O)C4CC4)ncc3C)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXARJXXUJNIBHN-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWRQEXKMYUJJDT-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nccc(C(C)(C)C(=O)Nc2ccc(-c3cncc(OC)n3)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFSDEPGXMRZHM-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1nccc(C(C)(C)C(=O)Nc2ccc(-c3cncc(C(F)(F)F)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSDCVHUGSHTIE-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)CC)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVAQVIWFVNRKB-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2cnc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRXCBFTXBKGSGG-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQZJQCLHFDKWRR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDRXPFZOCOXLA-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROTDBALRMVSMDZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cncc(C(F)(F)F)n2)ccc1NC(=O)C(C)(C)c1ccnc(NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJRYCNAIXUVDAJ-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1)c1ccnc(NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWZGKPCQGSUIO-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXFPRABVZGYJOZ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C(C)(C)C)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQWEKMEKXDZKF-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSEXXCRJISQFMM-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)c2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTMELRCJAWTDG-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)c2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGTPAYSMILQONM-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cccnc2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5079956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTIHCZFDBHVVMY-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUOWMPHSEQXRTE-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJOWGCKVXHOTGC-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJYQEFLZDWIXTE-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(Cl)c2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMLNLYLVMHFKC-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)c2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCUZTDODXAHBRM-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)c2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKPGQGYMUHZBMY-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cccnc2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISSKAXYALPYBN-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5072654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKINVCABTXMSBG-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPMEYDRKFTXRS-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIACTLZHQMBNPB-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQZUOKDHQXDMF-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLYLYAZVUCRBPE-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(C#N)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRGDFQLMONQQZ-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCMIIGRITWEJLE-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KREYURNNXYPTRB-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cccnc2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHOBCUUJAMLIIR-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUEWJNMACHLNEM-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(Cl)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5091596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFXGQQKDXMVOJ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSJEBFGMIHEEX-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXKYNIDPIWCVOW-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKJVSDPWOLNCCI-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQRAJPNSXGGDS-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cnccn2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZUXPAVXISHPQR-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CCOC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5080898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYQOXIDYNPRHN-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(-c2cccnc2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRORGOUTQHPKN-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(F)(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCJRTCHVUNXST-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCOCC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTHJMMOQZHAKDU-UHFFFAOYSA-N", "SMILES:CC(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIMGGQJRYIYODP-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(F)(F)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZADDSEXWXKPBMI-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(C(=O)NCc3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNYEEFMICSAEO-UHFFFAOYSA-N", "SMILES:C=C(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGOIIAJCBGMMQ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cc(C)nc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFBVGQDUQPHRY-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cc(C(F)(F)F)nc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHRBYUHVHMYQEX-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C3CC3)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUOHVFDKAPNNMX-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSDCUCKAMQZJIK-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C3CC3)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTMUDNGCRXCMJY-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cc(C)nc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGIPQXJFUNOEKQ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cc(C(F)(F)F)nc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYEWEAROINEPMA-UHFFFAOYSA-N", "SMILES:C=C(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVJPOKGPXXZQHZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWIDXGMIDTUOM-UHFFFAOYSA-N", "SMILES:CN(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WILFETFKACZFRY-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cc(C)nc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRJESNCNRMPCT-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cc(C(F)(F)F)nc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWBZHAAMNXGELA-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCCC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSAAGBCXBPJNDZ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWBLELOZPBMRDH-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(C)(=O)=O)n4)CCNCC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQBLAYAPRDATQ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCN(C(=O)OC(C)(C)C)CC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCUQNGKLXMEOJV-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCNCC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYZANCISHOVPA-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CN(C(=O)OC(C)(C)C)C3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOPWEJGYIZUONF-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(C)(=O)=O)n4)CCN(C(=O)OC(C)(C)C)CC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSVVFXEZRYQGR-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCOCC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVIWHPHMPPNCA-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2cnc(NC(=O)C(CCOC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBXGNCQUPDVJQ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CCOC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGSSVVIDYOUNX-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CCOC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYHSSBTRAEUOW-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(CCOC)c3ccnc(NS(C)(=O)=O)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZXGBYDERHQWTP-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(Cl)c2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRRWVYNPFFSFFK-UHFFFAOYSA-N", "SMILES:CCC(F)(C(=O)Nc1ccc(-c2cncc(Cl)c2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXLWRQOMOKHBQ-UHFFFAOYSA-N", "SMILES:CCC(F)(C(=O)Nc1ccc(-c2cncc(C3CC3)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSPDCADFGTXRGO-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(F)(CC)c3ccnc(NS(C)(=O)=O)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEAOANUAGWVOI-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(F)(c3ccnc(NS(=O)(=O)C4CC4)n3)C(C)C)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBSJYIJYBILCTM-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(c3ccnc(NS(=O)(=O)C4CC4)n3)C(C)C)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGNKCWXYTWPLSV-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(c3ccnc(NS(=O)(=O)C4CC4)n3)C(C)C)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNIPZPUDZQGKR-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2cnc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZIADZIZFPILP-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(C3CC3)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJETYMAUXYXBAP-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPOGNYVWDJTULE-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ncc(-c2cncc(OC)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBEWMMDWCCIJJN-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIBROUTTWNZEJK-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(C3CC3)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAJJBNABQKTMJ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBQVNYJSALPBTC-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2cnc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOCALQFGAANZTO-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXAGFYFVYQEWGE-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(OC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZKAKYZHKDMGGO-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQNYCHCRJINZKL-UHFFFAOYSA-N", "SMILES:N#Cc1cncc(-c2ccc(NC(=O)Cc3cccc(NS(=O)(=O)C4CC4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRYDVAXTXLGRI-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKSQMSLLBGJBD-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(NC(=O)Cc3cccc(NS(=O)(=O)C4CC4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZKVKSZYEHQVRX-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVWYLODCEGLLQY-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSNWXEAOIWEQTQ-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(NC(=O)Cc3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTJHRDREIGUOCH-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cnccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMRAKHTXIJUTE-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cccnc2)cn1)c1cccc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKKQHGQSTDMLJG-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(Cl)c2)cc1)c1cccc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBBXQFRLOKOSGM-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(F)c2)cc1)c1cccc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPFCUFMXCONTN-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cccc(NS(=O)(=O)C4CC4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFWMPANYEJDPRU-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1cccc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWRTUXBYQDKXER-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1F)c1cccc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKZKTMTTJTXRK-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1)c1cccc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWTXDFVGSKRTP-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cncc(Cl)n2)cc1)c1cccc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPPKPSTTZFKSU-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGORGSDYKGVBJU-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(NC(=O)C(C)(C)c3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAWHYVGYKDAMEF-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1)c1cccc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNHPMIIXDVPTDN-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4cccc(NS(=O)(=O)C5CC5)n4)CCOCC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVKUVJCSJIMPBH-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cn1)c1cccc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLVLIMYMKMNLQ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTDMAECNBCDZOJ-UHFFFAOYSA-N", "SMILES:CCC(C(=O)Nc1ccc(-c2cncc(Cl)c2)cc1)c1cccc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGJHMWFJFCFNF-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKAQTLWUVMZJK-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCIZUAWAMGBITH-UHFFFAOYSA-N", "SMILES:O=C(Cc1cncc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCFSLXNBGZVQQF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cncc(CC(=O)Nc2ccc(-c3cccnc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEIDMKZEBZJIK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cncc(CC(=O)Nc2ccc(-c3cccnc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAFEOBWCAQDQZ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cncc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZCDFQRYNLYMU-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cncc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSQOJYHGOTXMCI-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4cncc(NS(=O)(=O)C5CC5)n4)CCOCC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEGZWQRDJJEVAZ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(CCOC)c3cncc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKQDHQSPPCQCM-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(CCOC)c3cncc(NS(C)(=O)=O)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJXPSDUJARNZBS-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(F)(CC)c3cncc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSNCBTJYLAEAJR-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)c3cncc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBRBLXMMADJVLO-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)c3cncc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDXQXKZPDGBVLR-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(OC)c3cncc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVZJXFOYCRUBD-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(OC)c3cncc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTMMMFXXJEMCA-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(C)(OC)c3cncc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFUYIJBKHSIQD-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C(CC)c3nccc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDCXANHFNKXHQ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(C(=O)NC3(c4ccnc(NS(=O)(=O)C5CC5)n4)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPUDINJOPPNXHM-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYUBJPIKMXKNEL-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)c1ccc(-c2cncc(C(F)(F)F)c2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVVZSCXBDJSIBW-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)c1ccc(-c2cncc(Cl)c2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAGIEIEUOQCPA-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)c1ccc(-c2cncc(C(F)(F)F)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGAQMUMSCGYKBK-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)c1ccc(-c2cncc(Cl)c2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAOMGOXDBIEVQB-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJQNYIHEDXAVGS-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSUIDRIIFMGIH-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)c1ccc(-c2cncc(C(F)(F)F)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMPQKOUKVAQRZ-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)c1ccc(-c2cncc(OC(C)C)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMMUCGQPJJECP-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOPFRLFSWATYBG-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(C(=O)NC(C)(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDGOATANFSPOOV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cncc(-c2ccc(C(=O)NC(C)(C)c3cncc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYFZMKDPVOJKHK-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1ccc(-c2cncc(C(F)(F)F)n2)cc1)c1cncc(NS(=O)(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXPMQBFDLHJZNA-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(C(=O)NC(CC)c3cncc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYOAESUVMCRCLN-UHFFFAOYSA-N", "SMILES:O=C(NCc1csc(NS(=O)(=O)C2CC2)n1)c1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOYMUNUOATQLF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DETJRERLPGJLHX-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCC(=O)CC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORUSNGRNDJLGHX-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCC(O)CC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVNPAWCGLSEMDX-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCC(N(C)C)CC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOVURJLROQQBGX-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(CNC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPARTBMQYFQWKL-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCC(F)(F)CC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLDXIRXEDOJDRO-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCC4(CC3)OCCO4)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECNKALGTJZYPJ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)N(C)C)n4)CCOCC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMMJIGSWAVEQGM-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCN(S(C)(=O)=O)CC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAUUHIMHHHMZDZ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(CNC3(c4ccnc(NS(=O)(=O)C5CC5)n4)CC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFCJFODFQLBXBA-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(CNC3(c4ccnc(NS(=O)(=O)C5CC5)n4)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLQZOUXQQESDY-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NCC3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVYIQTUJNZQQEA-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CC4(C3)OCCO4)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBADLJWLCBODM-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCC(OC)CC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICYWVGBIIMEKHI-UHFFFAOYSA-N", "SMILES:CCOc1cnc(-c2ccc(NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFNUQBBXDCWICW-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5(C#N)CC5)n4)CCOCC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXMHXSQXVVPVRI-UHFFFAOYSA-N", "SMILES:CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)CC#N)n4)CCOCC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEHDFVCYLBRHRP-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(Cc5ccncc5)CC4)c(F)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOMNZMVEISIJKL-MYKGNVCDSA-N", "SMILES:CO[C@H]1CC[C@H](CN2CCC(c3ccc4c(c3Cl)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWLYVHNWABASRB-UHFFFAOYSA-N", "SMILES:COc1c(C2=CCN(Cc3ccccc3)CC2)ccc2c1CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCIEYGNYSNHJJ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3nc(C4CCN(Cc5ccccc5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYDRGJGXOAEBHE-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3c(ccc(C4CCN(Cc5ccccc5)CC4)c3F)C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDFWADKBWAZAIM-UHFFFAOYSA-N", "SMILES:Cc1c(C2CCN(Cc3ccccc3)CC2)ccc2c1CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZSUTGEZROCHF-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(=O)[nH]c5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VASPHUGEFQGYQL-UHFFFAOYSA-N", "SMILES:N#CC1CCC(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYYUOPEKYOICF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTXJTOLJPDLBW-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSARQOBAQZYHA-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWUIVCROGZYMF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOGCQOHQUAPKD-OJLBVGFSSA-N", "SMILES:O=C(O)C(F)(F)F.O=C1CCC(N2Cc3cc(C4CCN(C[C@H]5CC[C@H](CF)CC5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSRMVUQTWLGNG-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(CCn5cccn5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUWGSQNQOXOBU-UHFFFAOYSA-N", "SMILES:CC1=CCC(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEUHOCLFROCIG-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(Cc5cnccn5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQQCYMOCZEDPK-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(Cc5cccnn5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBYAIJUOIICFR-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(Cc5ccncn5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWNRGYFRPAHKJ-UHFFFAOYSA-N", "SMILES:Cc1ncc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANAQRHKVYFKANS-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(Cc5ccnnc5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULXALVDFSHENX-UHFFFAOYSA-N", "SMILES:CC(C1CCOCC1)N1CCC(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOPHOWHJRXREU-UHFFFAOYSA-N", "SMILES:CCn1cc(C(C)N2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBRXKBYMAKXQH-UHFFFAOYSA-N", "SMILES:CCC(c1cnn(CC)c1)N1CCC(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPLVPKJYMCBAS-UHFFFAOYSA-N", "SMILES:CCC(c1cnccn1)N1CCC(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NILTUVAIHLQUPX-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(C5CCc6ncccc65)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNFOIWKERPWWLN-UHFFFAOYSA-N", "SMILES:COC1CCC(N2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCHYSUPJMHEQU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYUAMDGBOAEJOY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)n[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIBDPZFTGUGIGV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc(C(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWUYDSRUMSKQAK-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLYZGXXFLVPZCU-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKVRTYVOAKVGZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFLXPGGPAONDIE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDZSSZGQPKYLR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QURMQMODQGFIKQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVOGSRDPVUWXRS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PERZLOMYSAAIKC-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHMSFFHZNNDIAD-UHFFFAOYSA-N", "SMILES:COc1c(Cl)cccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVQBQYWERJBRNS-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSCHRKTVAQITMY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODCAONTLCAEFO-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGDKBYPQBWBGL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKBBJLWOCWCCHA-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWPXZIGEVZFPQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSEHFRKJWIMDAZ-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDPBSLBFJWPMV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVKBGFAASDTNC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)n[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIXBDRAYBSRWGU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc(N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUONEXFACBQRDX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)nn2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBHRCRKXIWCSP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n(C)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOBFQBZQRTUXEZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc(C)c(C)[nH]3)n[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIGSEFMYXUWYRN-UHFFFAOYSA-N", "SMILES:CN1CCC(c2ccc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)n[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTCYUIFHVRNCKT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc(C2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEHXSCKGCZMRPX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc(N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEVHQEMRVQWPMJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKHKCJNFLFGRDS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc2c(c1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJAULCDLLBZRLF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc2ocnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZCOXFAPPWDIJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc2c(c1)CCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNMOKOOXVKFJOB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNUYGCBKRKBFIT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYSHDKHDNKVKAZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCANWLLTARLEQD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc(-c4ccccc4)c(C)[nH]3)n[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMIDAJBNASIGC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCZLTGYYUPIAA-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFFMBXKLEZNPDQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGCOQKYSYVWXPM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECSUSYQYKTLPH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAFVABWGWQZFBG-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCMXYWGFVTTKW-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYUPLNDLMDPKAK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAFOCCJXOPLCPQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4c(F)cccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPKUYSSVTAMLGV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4cc(F)ccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFSUQZIPVINJOP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTEMWZLRIUACTE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4c(Cl)cccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVSRUJPBQKMOAS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWJYENZFGUBGJN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4c(OC)cccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWFHUVAIHCITA-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3cc(NC(=O)c4ccc(OC)c(Cl)c4)n[nH]3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQPHDACUQGZQP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOIAPWDUQGUNR-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4cnccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKOWTKCILDENH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNPGBDDUHQEAMC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4c(C(F)(F)F)cccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAFXCWJJTNNXRU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)[nH]n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAFVFZTYBWZEF-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2cc(Oc3ccccc3)ccc2F)N1CC1CC1"]}
{"name": "Phosphatidylserine synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL5465290"], "id": "UniProtKB:P48651", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRSXSUVWPAZQP-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2ccc(Oc3ccc(Cl)cc3)cc2)N1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHEHXEKFFUFDIK-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2cccc(Oc3ccc(Cl)cn3)c2)N1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQRQADABULKLHE-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2ccc(Oc3ccccc3)nc2)N1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGFMBIIQXHZEGB-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2ccc(-c3ccccc3F)cc2)N1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MASXZOWVPSFSOY-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2cccc(OC3CCC3)c2)N1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDPZTCGLRXGUGC-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2cccc(OC3CCC(F)(F)CC3)c2)N1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNXNQZNNALHQO-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJVTNQAEJMUIP-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2cc(OC3CCOCC3)ccc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBAPFPXFAOHFHW-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2cc(Oc3ccccc3)ccc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEHCCIUJTSNOEO-UHFFFAOYSA-N", "SMILES:CCC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPTFWGZOBRSYKH-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2cccc(Oc3ccccc3)c2)N1Cc1ncco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTCRZSTTIJPRI-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C(c2cc(Oc3ccccc3)ccc2F)N1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNOCNQZPADSQFG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2n[nH]c3c2C(c2cc(Oc4ccccc4)ccc2F)N(CC(F)(F)F)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBDORNFNAXDNB-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3cc(Oc4ccccc4)cc4[nH]c(=O)oc34)c2C(c2ccc(F)cc2)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHGBDQDRLYMQO-UHFFFAOYSA-N", "SMILES:O=C1c2[nH]nc(-c3ccc(F)c4[nH]c(=O)oc34)c2C(c2cc(Oc3ccccc3)ccc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHWRNTUHEGGPFH-UHFFFAOYSA-N", "SMILES:CCc1cc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOQQIPLZCYKTJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEQWWCALIRZMME-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Cl)c(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBLTZQLSIHZSF-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUZALVLLNFVCL-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZALPSDIURWBLFX-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWEUKPOTVJHBCX-UHFFFAOYSA-N", "SMILES:Cc1nc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPIHLOOJFZHUPU-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1cnc(C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLJEFSQOUKGOQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)ccc1OCCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWDORLZHWVJGDC-UHFFFAOYSA-N", "SMILES:Cc1nc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)nc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLLPXTDFEQSFOI-UHFFFAOYSA-N", "SMILES:CCCCc1cccc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGMODJIGUJQYPL-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Cl)cc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPMNYPGMTZKERQ-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(OC2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNVIHMCTUXYTDH-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNTAYVQMAQNIOH-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCVCNESVDVTQMU-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(C3c4c(-c5cccc6[nH]c(=O)oc56)n[nH]c4C(=O)N3CC(C)(F)F)cc2)ccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFDZMXJTBHJSX-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLXQYTPWLPZDCP-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2cc(Cl)cc(OC(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBLPVRNCSBOJY-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYOCBTLLQGQPTO-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(F)c(OC(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKHIAIUIHDZDT-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(OC(F)(F)F)c(Cl)c2)ccc1C1c2c(-c3cccc4[nH]c(=O)oc34)n[nH]c2C(=O)N1CC(C)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUNPLQHTCCRXKT-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBHRUQJZOOAGSV-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMBIDKRYUGSIP-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2cccc(Cl)c2OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJOHSTGUQRAOEN-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cc(F)cc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5303480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFKFAYQYNRXLHR-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBAVSQFQLSABHI-UHFFFAOYSA-N", "SMILES:Cc1cc(OC(F)(F)F)ccc1Oc1ccc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZZXHHLKAFFDIM-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Sc2ccc(OC(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRDWAIRRJQIXDO-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(C3c4c(-c5cccc6[nH]c(=O)oc56)n[nH]c4C(=O)N3CC(C)(F)F)cc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYZPPIXTKXUOI-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERPVQCKNSSACL-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(SC(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIZWLCHIRQWCX-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2cc(Cl)c(OC(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURJMCXNTADTRG-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2cc(Cl)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHXVGUDJPSICJ-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGZJADBFVBBQL-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZAUJHUEPNIEBE-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFONHNPSNVLDE-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1cccc(Oc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYUGOXHDANCDDD-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1cc(Oc2ccc(F)cc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYAONRPEDJLPV-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1cccc(Oc2ccc(OC(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUZUZZQEHBNFN-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cc(F)cc4[nH]c(=O)oc34)c2C1c1cccc(Oc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOMRFUSHKYQYEU-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYGQHGVTNPJLKM-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSXYBULYYAGPD-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWMYYNAHUQIIOK-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYOLYXFVJZZDU-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)c(Cl)c2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFGNQGBGTKALOO-UHFFFAOYSA-N", "SMILES:Cc1cc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)c(F)cc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJAEUMCOQZYHM-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLAKVHDXHRSHCN-UHFFFAOYSA-N", "SMILES:Cc1cc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)c(F)cc1Oc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UESNAHNJBJJESL-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)c(Cl)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNGUUQIRDMTHK-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNSKYMSWDUJHTR-UHFFFAOYSA-N", "SMILES:Cc1cc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)ccc1Oc1ccc(OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCGDGKJONWEKSC-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)c(Cl)c2)c(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSHIQGBPLFICT-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXYQAFRNWFIGHF-UHFFFAOYSA-N", "SMILES:Cc1cc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)ccc1Oc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IREHGYSFKYIDAO-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(OCCCC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAIFGMYTHMKWMN-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccnc(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIJQNPYKVHGAG-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccnc(Oc2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOZCBFUAFUYPV-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1cnc(Oc2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAFZBHCRPYLHFO-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFWQFJJYLALPJY-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1cnc(Oc2ccc(Cl)c(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGOOKCIBPGYHPX-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(Cl)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBCYWGQCRMCJW-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1cc(Oc2ccc(F)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQWSEGWNAGCVDK-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2nc(C(F)(F)F)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEMSLPKRJAFJRJ-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2cc(C(F)(F)F)cc(Cl)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBMKAQSBKOMZAI-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)c(Cl)c2)c(OCCCC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKLRANCSZNIIW-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOASZBDJPGNTCX-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(CN2CCC(F)(F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFOLIHPFZFWMY-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc3onc(C(F)(F)F)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZNFESRIQRNRK-ZRTDVJLTSA-N", "SMILES:C[C@@H](Oc1ccc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEBOQRBAZGRLCL-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1cccc(Oc2ccc(C(F)(F)F)cc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKUHWKUVJSIERM-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc(CC(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCGYKOXEVASLE-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc2c(cnn2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBDLPSFTYOXMS-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1cccc(Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVQUCOGNGZIQU-UHFFFAOYSA-N", "SMILES:COC(c1ccccc1)c1ccc(C2c3c(-c4cccc5[nH]c(=O)oc45)n[nH]c3C(=O)N2CC(C)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGWHVYLTCSTCFK-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(C(F)(F)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOMRJCDHAEPGR-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc(NC=O)c3)c2C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPWYVQPTDLVKJX-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc(NC(N)=O)c3)c2C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUOSDJZPVDIDS-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)[nH]c34)c2C1c1ccc(Oc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJJYLDPZLUDPFY-UHFFFAOYSA-N", "SMILES:CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)sc34)c2C1c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSBFNGNCGMASB-LYZGTLIUSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2Cc3ccccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIAKTRNWRHTVOT-JPZYQRIQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2Cc3c(C(=O)N(C)C)cccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLFCWZWZWVDIY-KPURRNSFSA-N", "SMILES:Cc1ccc2c(c1)CN(C[C@]1(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC13CCCC3)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEPOXYDMOAEGF-KPURRNSFSA-N", "SMILES:Cc1cccc2c1CN(C[C@]1(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC13CCCC3)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCMYRVFRDHTRN-JPZYQRIQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2Cc3c(cccc3-c3ncco3)C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWVYYLBZYIOSX-JPZYQRIQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2Cc3c(cccc3-c3cscn3)C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGKDKINPXYJREF-ACSYHNTCSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2Cc3c(C(=O)N(C)C)cccc3C2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWLLCXCTIJTESQ-ONOMSOESSA-N", "SMILES:COc1cccc2c1CN(C[C@]1(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC13CCCC3)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFRIVLCRLFRRJ-SLGOVJDISA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2Cc3c(cccc3-n3cccn3)C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRQYWLRADDJXKB-JPZYQRIQSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2Cc3cc(C(=O)N(C)C)ccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWDYBHSRMISUJO-PIIWDFAUSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2Cc3c(Cl)cccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLKKTJUJPXNEQU-WJOKGBTCSA-N", "SMILES:CN(C)C(=O)c1cccc2c1CN(C[C@]1(O)CCN(C(=O)Cc3c[nH]c4ccccc34)CC13CCCC3)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUMYCCMITCZDHZ-XUQXIDOOSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@H](c3ccccc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUMYCCMITCZDHZ-RHSVSJCASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@@H](c3ccccc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYWSGRDXKAJGT-KZPBJQIISA-N", "SMILES:Cc1ccccc1[C@@H]1CC(=O)N(C[C@]2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMYWSGRDXKAJGT-HKIQETCMSA-N", "SMILES:Cc1ccccc1[C@H]1CC(=O)N(C[C@]2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVCCIREXASRFD-ATEJDMMGSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@H](c3ccccc3)CC2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVCCIREXASRFD-RASJMTDNSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@@H](c3ccccc3)CC2=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTNGDBSGLPDPS-NIQGLAOKSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@H](c3ccc(Cl)cc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTNGDBSGLPDPS-YDIMZXDKSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@@H](c3ccc(Cl)cc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDWIPOATOGSLI-WCUJTLSMSA-N", "SMILES:COc1cccc([C@@H]2CC(=O)N(C[C@]3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDWIPOATOGSLI-RBJPJBLUSA-N", "SMILES:COc1cccc([C@H]2CC(=O)N(C[C@]3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEOPNYRWUYSORT-UEXRZGERSA-N", "SMILES:Cc1ccc([C@@H]2CC(=O)N(C[C@]3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEOPNYRWUYSORT-DWUHQNGNSA-N", "SMILES:Cc1ccc([C@H]2CC(=O)N(C[C@]3(O)CCN(C(=O)[C@H](C)CC4CCCCC4)CC34CCCC4)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHFABFPBSXRDY-FGPAUOPCSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@](C)(c3ccccc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCHFABFPBSXRDY-QGXKGNFASA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@@](C)(c3ccccc3)CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWZKBBKZAMKGIT-NORZDRCHSA-N", "SMILES:CC(CC1CCC1)C(=O)N1CC[C@@](O)(CN2Cc3c(C(=O)N(C)C)cccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGBSHNNAUHUXHG-VGFJAJBZSA-N", "SMILES:CC(Cc1ccccc1)C(=O)N1CC[C@@](O)(CN2Cc3c(C(=O)N(C)C)cccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKVVFMSQILENFN-WVXBCFDCSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2CC(c3ccccc3)=CC2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJZLZVOCRZSIFD-UHFFFAOYSA-N", "SMILES:CC(CC1CCCCC1)C(=O)N1CCC(CN2Cc3c(C(=O)N(C)C)cccc3C2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQECCJFKIWJZJK-UHFFFAOYSA-N", "SMILES:O=C(CN1CCc2ccccc21)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUCQQXGWWWEQRD-IBVKSMDESA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cnn3cccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYPDICZPRAKKW-QNLPTKCRSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCOCC3)n3cccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYSNVMJRRCSMBZ-RCRUUEGKSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N(C)C)n3cccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFRBQKIOIFGIV-JIPXPUAJSA-N", "SMILES:CO[C@@]1(Cn2cnn3cccc3c2=O)CCN(C(=O)[C@H](C)CC2CCCCC2)CC12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARWZHNSAIHFTDY-FQRUVTKNSA-N", "SMILES:C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](F)(Cn2cnn3cccc3c2=O)C2(CCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1624885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZBYWWJJUUVDJ-UHFFFAOYSA-N", "SMILES:O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)OCCO2"]}
{"name": "G/T mismatch-specific thymine DNA glycosylase", "xref": ["CHEMBL.TARGET:CHEMBL5465279"], "id": "UniProtKB:Q13569", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOBRVNVPWVVEAH-UHFFFAOYSA-N", "SMILES:O=C(CCN1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNRDGBSTSLMVFG-UHFFFAOYSA-N", "SMILES:O=C(CCN1Cc2ccc(Br)cc2C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCUNRUDEEVNUGV-UHFFFAOYSA-N", "SMILES:O=C(CCN1Cc2ccc(Cl)cc2C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXXZRXBLWTHOF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(CCC(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSGYESPUUFEPS-UHFFFAOYSA-N", "SMILES:O=C(CCN1Cc2ccc(F)cc2C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXICJSBXDUGEMP-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)CN(CCC(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOEBODRBBZKWLF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)CN(CCC(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYDDHJNFVBTIT-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)CN(CCC(=O)c1ccc3c(c1)OCCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1620372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKHBQLYWOUEDY-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCc2ccccc2C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJFFREWUPISMAD-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCCC1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZAZCBXWXFWDG-UHFFFAOYSA-N", "SMILES:O=C1CCN(CCC(=O)c2ccc3c(c2)OCCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJTKHIFDZKRHJB-UHFFFAOYSA-N", "SMILES:O=C(CCn1ccc(-c2ccc(F)cc2)cc1=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLDMOSGOOPJOKD-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(c2ccccc2)CC1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKRZTACHMMLKD-UHFFFAOYSA-N", "SMILES:O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVMYLKVHNLVDA-UHFFFAOYSA-N", "SMILES:O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)C(=O)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIEDMURLNTZWMZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQJBPAQLRGUXHB-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(O)(c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAEFQMLYGHMNAV-UHFFFAOYSA-N", "SMILES:Cl.O=C(CCN1CCC(c2ccc([N+](=O)[O-])cc2)C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKVKGZGIQAYGD-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(c2ccc(Br)cc2)C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZTZKHBLTMDOKD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CCN(CCC(=O)c3ccc4c(c3)OCCO4)C2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGPDCULJOCIHH-UHFFFAOYSA-N", "SMILES:Cl.O=C(CCN1CCC(c2ccc(Cl)cc2)C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQKWFFPXCSODL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2CCN(CCC(=O)c3ccc4c(c3)OCCO4)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJNEWYEQVQMPY-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCC(c2ccc(F)c(O)c2)C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHXFYWAYAMBJFP-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCc2ccccc2C(O)(c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZFYHDMJBDERD-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCc2ccccc2C(O)(c2ccc(F)cc2)C1)c1ccc2c(c1)C(=O)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5303447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOPOUBTAKNOMO-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1ccc(N2CCCC2)cc1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZYSBLUUFUIQR-XBXGTLAGSA-N", "SMILES:CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2nnsc2NC(=O)c2cncc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCAGQCZABBFGBY-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEKCEFGEJYCPDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMBQODAHFMHFFK-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1cccc(Oc2ccccc2)c1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROLVOXBGJQLJRR-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1cccc(N2CCCC2)c1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWIILOJJCNQWIS-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1ccc2c(c1)CCC2)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVXYOXWXHBZOL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)c2nnsc2NC(=O)c2cncc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMPTIAVPXBYFP-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNPUKPNJWAJTH-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNTIOEHZOSPKCS-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1cccc(Cl)c1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBZNGLQHKVDPA-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOFTCHJZHECDC-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)c2nnsc2NC(=O)c2cncc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHKJEYNEGHVHJS-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1ccc(Cl)cc1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRNDTFWPBFMEMU-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDIKZCBZRLLKZ-KRWDZBQOSA-N", "SMILES:O=C(Nc1snnc1C(=O)N[C@@H](CN1CCCC1)c1ccc(Cl)cc1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITQDXYMMTVZENB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPWHNDFJZREUQH-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1nnsc1NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJKSTBVVJNRAQJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1ccn(-c2cccc(Cl)c2)n1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOIQQIMUGICMQI-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(NC(=O)c2nnsc2NC(=O)c2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGIVFUTZHVDZHF-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)NCC1CC12CCCCC2)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKFUXFGBULXDI-UHFFFAOYSA-N", "SMILES:CC(C)(NC(=O)c1nnsc1NC(=O)c1cncc(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUWEWFDCAKDAM-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)Nc1cccc(OC(F)F)c1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAQEPQDMOXJMX-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)NCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONBUIOHVWRVKFE-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)NC1Cc2ccc(Cl)cc2C1)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJXNBYIXNNSEG-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2cc(NC(=O)c3nnsc3NC(=O)c3cncc(C(F)(F)F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POTIJIWTSUNRMT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(NC(=O)c2nnsc2NC(=O)c2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMPFZUVPAOBJR-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1nnsc1NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMPPBCWZYUIFB-AWEZNQCLSA-N", "SMILES:O=C(Nc1snnc1C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMCZMRZBRUZGND-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)NCc1ccc(OC(F)F)cc1)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWPMOGOIPGEHOM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1)c1nnsc1NC(=O)c1snnc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UABNKKRQUGBGTL-UHFFFAOYSA-N", "SMILES:O=C(Nc1snnc1C(=O)NC1CCCc2ccccc21)c1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLOAQAEJNHHFW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(NC(=O)c2nnsc2NC(=O)c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQPNPLMEKYHFN-UHFFFAOYSA-N", "SMILES:Cc1nsc(NC(=O)c2cccc(C(F)(F)F)c2Cl)c1C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULFBPBHHJDTHRQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)NCc1ccc(Cl)cc1)CCOC2)c1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHGRSMUXYWNJDP-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNC(=O)c3cccc4[nH]ncc34)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DONMWOSWKKSYEU-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2ccc(Br)cc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLZQHIRMXICTTB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(Br)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYAIQKQYCFOBOA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RACOHXZGBRPZEP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2ccc(F)cc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UITDBPOXGBNMKT-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(F)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYNUAFYHDPTBI-UHFFFAOYSA-N", "SMILES:COc1ccn2cc(CNC(=O)c3cccc4[nH]ncc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXMAPFTZZPXMW-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNC(=O)c3cc(-c4ccn[nH]4)cc4[nH]ncc34)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFNHZGWVJOPJU-UHFFFAOYSA-N", "SMILES:Cc1ccn2cc(CNC(=O)c3cccc4[nH]ncc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDRSCMMYWAPNDZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNC(=O)c3cc(Br)cc4[nH]ncc34)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCALGGYSLZUVIL-UHFFFAOYSA-N", "SMILES:Cc1ccn2cc(CNC(=O)c3cc(Br)cc4[nH]ncc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VADSGHXOYYEAAT-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNC(=O)c3cc(=O)c4ccccc4o3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIBTLZCHZSWEL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2ccccc2n1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVWWKASTYATJIU-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNC(=O)c3cc(C#N)cc4[nH]ncc34)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGTYDECGVDYGCR-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOXLIOTWXMOBI-UHFFFAOYSA-N", "SMILES:Cc1ccn2cc(CNC(=O)c3cc(=O)c4ccccc4o3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQAYCYFSCLMCL-UHFFFAOYSA-N", "SMILES:Cc1ccn2cc(CNC(=O)c3cc(=O)n4ccccc4n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBMLQAXTFCIIGX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBOAFOISOXNMU-UHFFFAOYSA-N", "SMILES:COc1ccn2c(=O)cc(C(=O)NCc3cn4cc(C)ccc4n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTYMWPMOUVEUCV-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNC(=O)c3ccc4[nH]ncc4c3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHUFTSAEEZXAAV-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNC(=O)c3cc(=O)n4cc(Cl)ccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJFCAXEDASVPN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMITWQOGKJGDA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(Br)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNXOIYPVOPZCH-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWSZYBQVKBBINX-UHFFFAOYSA-N", "SMILES:COc1ccn2cc(CNC(=O)c3cc(=O)n4ccccc4n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSKBAROJGAYRML-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2ccccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JALMWYQFFFSBQN-UHFFFAOYSA-N", "SMILES:Cc1cccn2cc(CNC(=O)c3cc(=O)n4ccccc4n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYMBSNBZMNTHG-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNC(=O)c3nccc4[nH]ncc34)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYYISAGTOCZIH-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2ccc(Br)cc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMLUEJJUIWJJDK-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C(CO)NC(=O)c3cccc4[nH]ncc34)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUABGMLBLJINS-UHFFFAOYSA-N", "SMILES:O=C(c1cccc2[nH]ncc12)N1CC=C(c2cn3ccccc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHGHIZSGQNZRHK-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(NCc3cccnc3)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODVMDSQXHAXEN-UHFFFAOYSA-N", "SMILES:Cn1cnc(CNc2ccc3nc(CNC(=O)c4cccc5[nH]ncc45)cn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQRLPCASZHBJDI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3nc(CNC(=O)c4cccc5[nH]ncc45)cn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYSTNPIVKFGHP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(-c3ccn[nH]3)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFRPRCBGGJYTB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(-c3cccc(Cl)c3)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDHTLYFOUJMIK-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(Nc3cccnc3)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOHCJSJVLUBHT-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCNCC3)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUOLCUREQVQFQ-UHFFFAOYSA-N", "SMILES:NCc1ccc2nc(CNC(=O)c3cccc4[nH]ncc34)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPISWDKTXQIWEE-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc2nc(CNC(=O)c3cccc4[nH]ncc34)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAZGFAXDFFZGPW-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(COC(=O)c3cccc4[nH]ncc34)cn2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEZSDUHZCQTHI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CO)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBFOPGPLETVHST-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(O)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCBJXZLMGSTHJ-UHFFFAOYSA-N", "SMILES:CNCc1ccc2nc(CNC(=O)c3cccc4[nH]ncc34)cn2c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSYCDFQZLMWPPY-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCO)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYXVMWVIIRPIFE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC(F)(F)F)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKLKTTRFWJAWBF-UHFFFAOYSA-N", "SMILES:CC(O)c1ccc2nc(CNC(=O)c3cccc4[nH]ncc34)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEDUDPXYEALJTD-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(C(O)c3ccccc3)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKJLJNYOYWIUHZ-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXPJRCBOTBJCQV-UHFFFAOYSA-N", "SMILES:NCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXWMRFLYTUGLP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC(F)(F)F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOQSETYSNSHAIQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCO)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJOLOGGXUTIKE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCc3ccccc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWLUCFKASKUJT-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3ccccc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHPLBHBWTZZXCX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCCc3ccccc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMIATRPRNGZPN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(C(O)c3ccccc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSEXNPGHFOAQHF-UHFFFAOYSA-N", "SMILES:CC(O)c1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEVBXECSHSMANV-UHFFFAOYSA-N", "SMILES:C=Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUWSTUADDZXDJE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(C3CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNWWLFBHDCUQT-UHFFFAOYSA-N", "SMILES:C=Cc1ccn2cc(CNC(=O)c3cc(=O)n4ccccc4n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJKNBRJDPUMBK-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CO)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYFYWQZSVZLRO-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(Cc3nnc(-c4cccc5[nH]ncc45)o3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHVDMTKZNIYGAR-UHFFFAOYSA-N", "SMILES:NCCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMZLYWLENBYCDG-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNC(=O)c3cc(=O)n4c(n3)CCCC4)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEZCNCPAMZENKZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(C(F)(F)F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AACQHICXKIFBAJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(Cc3nnc(-c4cccc5[nH]ncc45)s3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMRMXRPYOBZLJO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXWREAZTHUSDA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDFYIMJFFSOJR-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(Cn3cc(-c4cccc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUIESPUBRVMIL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3cccnc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBEMSLOOJFLVPC-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJKPEGJLYJMOP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3ccc(O)cc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBZJXWWOLSGBX-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLNADJLAIHGHD-GOSISDBHSA-N", "SMILES:C[C@@H](NCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLNADJLAIHGHD-SFHVURJKSA-N", "SMILES:C[C@H](NCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGLQZUHYZNPNLT-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3ccccc3F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLXHZBOISUHJMR-UHFFFAOYSA-N", "SMILES:CC(C)(NCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJWQUAYIVLJDKN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3cccc(F)c3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYZAPNIEQXCORB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3ccc(F)cc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCBSSEMHNVKFNE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCCC(F)(F)F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKZYTMGLLHMKSQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCOCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAKXPRLLTUMBOD-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CC(F)(F)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDPGALAYAGGIB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOJWIXFADTWWGU-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCC(F)(F)F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYEUVEWKXBIYED-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXZUPRHNZICNM-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3C4CC3C4C(F)(F)F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTEBJRISLADZET-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCO3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDGFSXHVRUOSK-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3(c4ccccc4)COC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXCBQGDCWSNFC-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCOC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSBRCWQRBMZQMG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3(F)CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRLVZLPFIRCMSI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3cccc(C4CC4)c3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSWZPWJAOPMSK-UHFFFAOYSA-N", "SMILES:CC(C)(C)CCNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPVRLNMGARDIIZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCOC(F)(F)F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLACHSPJSICQI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCO3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAHYXDFTMFNJDH-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFLWYUZBHDFFDS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCC(c4ccccc4)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPRJDFKADXUNLN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3(C4CCCCC4)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONBPIJYJVITEI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3cncs3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPGVBBCLKFHFR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYOXXNGGPVDMZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCC(F)(F)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBBJBRSQHXHSHU-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCCC1CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTVOFVDWDXOML-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCC3CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRXUUNPGEURTBW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUFWCPCEYZPHKX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3ccn(CC(F)(F)F)n3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBINQKZITZWJQY-UHFFFAOYSA-N", "SMILES:CC1(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVDHGSZPGHHML-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCc3cccnc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQQFNUIJGKRHPS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3COCCO3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVQZCCQKPKTSA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HROZYGLAYSKDDX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3CC(F)(F)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFDMVKMJYEILZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3COC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPIGLMABLXVTJT-HZPDHXFCSA-N", "SMILES:O=C(NCc1cn2cc(CN[C@@H]3C[C@H]3C(F)(F)F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMDNAMZYAQHCB-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKDAFTJEBWHPTP-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGFDLDHBAQHMO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3CCC(F)(F)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNBTLLOXBAVMT-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3C4CC3C4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLACHSPJSICQI-SFHVURJKSA-N", "SMILES:O=C(NCc1cn2cc(CNC[C@@H]3CCCO3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLACHSPJSICQI-GOSISDBHSA-N", "SMILES:O=C(NCc1cn2cc(CNC[C@H]3CCCO3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBPUSZKFFYKYRJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC(F)F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSRYLZMOXCLRHZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCOC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPOZPWQPSDFPM-UHFFFAOYSA-N", "SMILES:CC1(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWMKBNOHMCDQLC-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3CCOC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJCPYDLNHSPYIE-UHFFFAOYSA-N", "SMILES:COC(=O)C(NCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYVMKRGMRXQPL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3CCCOC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNJZXZXACADIE-INIZCTEOSA-N", "SMILES:O=C(NCc1cn2cc(CNC[C@H](O)C(F)(F)F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTOSUKQBDUCHAU-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3CCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWAYAAPZBGNNCT-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCPXDLISUMAXQF-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCF)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZKKIRQQNRLORN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCC(F)(F)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSFTYAXCEPUANX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCN(c4ccccc4)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFQJGQJTTPPRMA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCc4ccccc4C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDWJKRQQWNNMFM-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GINFRRADKZAAPN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVHPHAKMZVYKO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CC(c4ccccn4)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOMVPHHCYQXXJQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC(C3CC3)C3CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZDQODSPIXILEN-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWGXWWAWQDIQRL-UHFFFAOYSA-N", "SMILES:CC1CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJIHJMXWANCNE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCC(C(F)(F)F)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGUCDKPSIWKBQ-UHFFFAOYSA-N", "SMILES:CC1CCCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVEHIRADWFHARP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CC34CC4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWIUAKXJJMGOTG-UHFFFAOYSA-N", "SMILES:CC1(C)CCCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYRZIGHTSAGRGR-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCCC(C(F)(F)F)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUAMSNIVQSZFIN-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXSQEDRAEAFTHM-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCC(F)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDRLBDCYHXJAQD-UHFFFAOYSA-N", "SMILES:COCCCNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTYHHXOPQDDNTK-UHFFFAOYSA-N", "SMILES:CC1(NCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYXOJDBEFYXGGN-UHFFFAOYSA-N", "SMILES:CC1(C)COC(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWRDLNABUMPUIA-UHFFFAOYSA-N", "SMILES:CC1(NCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXASYSPRMBISX-UHFFFAOYSA-N", "SMILES:CCCNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFNWEKQOVPOAV-UHFFFAOYSA-N", "SMILES:CC1(C)CCOC1CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTVATZAFQTWBD-UHFFFAOYSA-N", "SMILES:CC(C)CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXTVDLQISWBODW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OCCNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZJQTBFHKYIGO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNc3ccc(Cl)cc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZYEZBFWJIAAB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCC3CCCCO3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCUKHWLBHVAOJE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCC(Cc4ccccc4)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOXSJRLAUAIKO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCC(Oc4ccccc4)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZHZGGVKVRUSA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CC3(F)F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLDTUHFMTMMBIW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNc3cccc(Cl)c3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFNNGNPGGGAFBH-UHFFFAOYSA-N", "SMILES:CC1(C)CC1CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASIIVTFUSYOUQH-UHFFFAOYSA-N", "SMILES:CC1(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDFQAELRFKCHKJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJJSNXRUDMMVNQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CCC(NCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJTZMZOKUXGIX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCC3CCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRRTLPNZOEJEZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N1CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZBRCYGLFIHJGD-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMRGDQQBNCRSDN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC(CO)C3CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTHSBQVFXRNMQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3C4CCC3CC4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLIUOYJKBRIDJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHXLQUURHMROD-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)c2ccc(Cl)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BECHPEQBUPRLAS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)c2cc(Cl)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URZGKDUZJTWNJK-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)n2c(n1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEKLFJUSLPALM-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)NCc2cn3cc(CNCC4CCCCC4)ccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APXISDIHTCSWHY-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(COCc3ccccc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLBCRPHQGAFEL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3ccccc3)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXNVWPGBNGGEW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)c2ccc(F)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNAJGSZXAXEGC-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)cc(C(=O)NCc3cn4cc(CNCC5CCCCC5)ccc4n3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMFJEDRDVBEGX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHSKQGLWKMTMCD-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)c2cccc(Cl)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQZVYFONAFWFQB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(Br)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGPVJDIRITUFHY-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETDULSHPXJUCF-UHFFFAOYSA-N", "SMILES:CC(NCC1CCCCC1)c1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTDCEAJIYUHMAI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(Cl)cc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTBGJTHCIGPRDA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(NCCC3CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXSAIIASHVTIS-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVINYMUZXAUMF-UHFFFAOYSA-N", "SMILES:CC1(C)CCCCN1Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUASRBWUPYTHSV-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(C)(C)NCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHUQGSBVKSOKRR-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNc3ccc(F)cn3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWYEQHWOQZFMR-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3(C4CC4)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIKIWLPYUOSGL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3(F)CCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPOOHFVDNKBROD-UHFFFAOYSA-N", "SMILES:CC1CN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQKYCZLDJZBBBB-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEVRESVNJLXVDM-UHFFFAOYSA-N", "SMILES:CC(C)(F)CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAIFDVDSMBNMDH-UHFFFAOYSA-N", "SMILES:CC(NCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJGAOAMUZJJBH-UHFFFAOYSA-N", "SMILES:CN(CCC1CC1)Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDIVJOGLSITVLK-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)CC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKKIUFJZDVLBR-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3(F)CCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHUYFPGWRWOHD-UHFFFAOYSA-N", "SMILES:CC1(F)CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUZDNZTMKMFPA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCCC(F)(F)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPIFRGXSPAYWIK-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3(O)CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UONXIMLSJAXNGX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFIDMMTYZCRPCA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCC(F)(F)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMOKQHPKDKGUSD-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMYYVXPCYXSYCX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCC3CC(F)(F)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZYMVXVZABXBMW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCC3F)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXSUQPGVHTAKS-INIZCTEOSA-N", "SMILES:C[C@H](NCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUJYGTWBFFDLO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCC4(CC3)CC4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCEGGXWPWFBJSY-QAQDUYKDSA-N", "SMILES:O=C(NCc1cn2cc(CNC[C@H]3C[C@H](F)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVONGJQUWZZRKX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCC3CC3)ccc2n1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUFPKMAIKQJRHA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CCCCC3)ccc2n1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXHPFZCKPWNUCH-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3ccc(Cl)cc3)ccc2n1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOTPOFOZFVAKDB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCc3ccccc3)ccc2n1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVHJBNNHHMZRD-UHFFFAOYSA-N", "SMILES:CC1(CNCc2ccc3nc(CNC(=O)c4cc(=O)c5ccccc5o4)cn3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBHFPPMMMSGUPD-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2ccc(CNCC3CCCCC3)cc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBEXGQGHIKWOCB-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2ccc(CNCC3CC3)cc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDSYDPWSCATDO-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNCc1ccc2nc(Cn3cc(-c4cc(Br)cc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWYRSNGLCFNOO-UHFFFAOYSA-N", "SMILES:Brc1cc(-c2cn(Cc3cn4cc(CNCC5CCCCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXIOMUYKKTZDFQ-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(Br)cc6[nH]ncc56)nn4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIAPFRXMELFSCO-VQTJNVASSA-N", "SMILES:CC(C)(C)[C@H]1COC[C@@H](c2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIAPFRXMELFSCO-UXHICEINSA-N", "SMILES:CC(C)(C)[C@@H]1COC[C@H](c2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWNBXJCTWIUDAH-XZOQPEGZSA-N", "SMILES:O=C(NCc1cn2cc([C@H]3COC[C@@H](C4CCCCC4)N3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRFKKRWQXJFAV-BJKOFHAPSA-N", "SMILES:O=C(NCc1cn2cc([C@H]3COC[C@@H](C4CCCCC4)N3)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDJHFOZLWHYWQO-UHFFFAOYSA-N", "SMILES:CC(C)(C)CN1CCOCC1c1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEVOYOCPNPQRMT-RDTXWAMCSA-N", "SMILES:C[C@@H]1COC[C@H](c2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNISGBWMAFEIIY-UHFFFAOYSA-N", "SMILES:COc1cccc2c1OCC(c1ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c1)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBRPPVFOZKJZRL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CCNCc3ccccc3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFGJIXWYGKVZKD-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CCNC3CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDTGAPSIEFETNC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZTIQEWVYJBDRT-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC(=O)C3CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUGYILTYAGTLR-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCNC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPNYYUBRUZQAG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCCCN3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXIWNKZPVGUND-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3CNC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKDJSFCUSXGGG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(C3(NCC4CCCCC4)CC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGNOTSAHIFXNW-UHFFFAOYSA-N", "SMILES:NC(Cc1ccccc1)Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXHNJLYUBAFBQY-UHFFFAOYSA-N", "SMILES:c1cc(-c2cn(Cc3cn4cc(CNCC5CCCCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXSJTJZQICVHY-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCCC1)c1ccc2nc(Cn3cc(-c4cccc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZTLQYVYGOPGBS-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNCc1ccc2nc(Cn3cc(-c4cccc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRDINXEHVLIJM-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cccc6[nH]ncc56)nn4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMWQMRUUWWPDRE-UHFFFAOYSA-N", "SMILES:FC1(F)CC(CNCc2ccc3nc(Cn4cc(-c5cc(Br)cc6[nH]ncc56)nn4)cn3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKAYMCDVNVDJHT-UHFFFAOYSA-N", "SMILES:OCc1ccc2nc(Cn3cc(-c4cc(Br)cc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLMSKSMHGFVYAB-UHFFFAOYSA-N", "SMILES:CC(NCC1CCCCC1)c1ccc2nc(Cn3cc(-c4cccc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZTDOYNUIXDBRA-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNCc1ccc2nc(Cn3cc(-c4cncc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPLHFRVOZWCSJ-UHFFFAOYSA-N", "SMILES:OCc1ccc2nc(Cn3cc(-c4cncc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXPYTBMCNNHPAF-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(C3COCCN3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZFYQWGYZBSMTQ-XZOQPEGZSA-N", "SMILES:O=C(NCc1cn2cc([C@H]3COC[C@@H](C4CCCCC4)N3)ccc2n1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJCLHXIHSAKIPA-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNCc1ccc2nc(CNC(=O)c3cc(=O)c4ccccc4o3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVJVKTZWSBOQKM-UHFFFAOYSA-N", "SMILES:Oc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOZGYLOECDZIJB-UHFFFAOYSA-N", "SMILES:Oc1cc(-c2cn(Cc3cn4cc(CNCC5(O)CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZFSQLZXCLXACB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]ncc2c1-c1cn(Cc2cn3cc(CNCC4(O)CCC4)ccc3n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRUGRGJNJVARQM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(Cc3cn4cc(CNCC5(O)CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFLFCXAJNSJDI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATVMVSYHPOIJI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]ncc2c1-c1cn(Cc2cn3cc(CNCC4CCC4)ccc3n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYXVFEOJSDQNEJ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(Cn3cc(-c4cccc5[nH]nc(N)c45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDTNKQWEMUZASZ-UHFFFAOYSA-N", "SMILES:COC1(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSIGMLYUDQLPS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(C3COCCCN3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDYMCXLOBBOLDO-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULRNUNOJTSHKGR-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC34CC(F)(C3)C4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRZWHEOFIJQSJC-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CC4(CCC4)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKDDQPPIYSPJMS-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CC4(CC4)C3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVWVMJVBJZXCSF-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC34CC(C3)C4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTJIMKWBLJLLZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNC3CC34CCC4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJRXNVZAUTVMDP-UHFFFAOYSA-N", "SMILES:COC(C)(C)CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZXVXBOIZVQYLE-UHFFFAOYSA-N", "SMILES:CC1(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STAKPQDABXKJPH-UHFFFAOYSA-N", "SMILES:CCCCNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVBXJGOIFVSUGA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3(O)CCCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFABIILHNFFOIM-UHFFFAOYSA-N", "SMILES:CCC(C)CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQSADNKYAIGCLC-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCCC3CCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVJVHWMBYMCBQH-UHFFFAOYSA-N", "SMILES:CC(C)(O)CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJVXVNFSVRWGZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3(O)CCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXHXBRCAGIHIML-UHFFFAOYSA-N", "SMILES:CCC(O)CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARGAGAKMGBSAOJ-UHFFFAOYSA-N", "SMILES:CC1CC(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFWGIVFJJTGDI-UHFFFAOYSA-N", "SMILES:CC1(C)CC(CNCc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUNNAGPEIUXCCR-UHFFFAOYSA-N", "SMILES:CCC(C)(C)CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFABIILHNFFOIM-INIZCTEOSA-N", "SMILES:CC[C@H](C)CNCc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYQMXITQNNNPR-UHFFFAOYSA-N", "SMILES:OC1(CNCc2ccc3nc(Cn4cc(-c5cc(Br)cc6[nH]ncc56)nn4)cn3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQMSSVABWRIRX-UHFFFAOYSA-N", "SMILES:OC1(CNCc2ccc3nc(Cn4cc(-c5cc(Br)cc6[nH]ncc56)nn4)cn3c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQJEKKVUSWKIZ-UHFFFAOYSA-N", "SMILES:Brc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFMBLQXRXYWQM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDXUQNPPFIQGCH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYPKWAWYFYTUNA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXJWJREDYVKJD-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPYNQMAQWCCTEC-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLXPJWPAKWEJKT-UHFFFAOYSA-N", "SMILES:Clc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJIYVYIUXPELSJ-UHFFFAOYSA-N", "SMILES:OC1(CNCc2ccc3nc(Cn4cc(-c5cc(Cl)cc6[nH]ncc56)nn4)cn3c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLBCKELBHNMCSM-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNCc1ccc2nc(Cn3cc(-c4cc(Cl)cc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLVDEZAFQCNIY-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKFPJVJFXARUFA-UHFFFAOYSA-N", "SMILES:OC1(CNCc2ccc3nc(Cn4cc(-c5ccc(F)c6[nH]ncc56)nn4)cn3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPBCMNPLJPYJO-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cn(Cc3cn4cc(CNCC5CCCCC5)ccc4n3)nn2)c2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXCZORDUPYNMX-UHFFFAOYSA-N", "SMILES:OC1(CNCc2ccc3nc(Cn4cc(-c5ccc(F)c6[nH]ncc56)nn4)cn3c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPHYDEVSGABVIS-UHFFFAOYSA-N", "SMILES:NC1(CNCc2ccc3nc(Cn4cc(-c5ccc(F)c6[nH]ncc56)nn4)cn3c2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRWNHWEKLFVEL-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)c5c(F)cccc5o4)cn3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDIKUFIZMLPBSM-UHFFFAOYSA-N", "SMILES:c1cc2nc(Cn3cc(-c4cc(N5CCOCC5)cc5[nH]ncc45)nn3)cn2cc1CNCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJNXTPMXWXUDL-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(Cc2ccc3nc(CNC(=O)c4cc(OCCOCCN)cc5[nH]ncc45)cn3c2)CC1.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODIHWYUQCGENPE-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(C(Cc3ccccc3)NCC3CCC3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDURYCPEWCRAEU-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2ccc(C(Cc3ccccc3)N(CC3CCC3)CC3CCC3)cc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDXPQZQDYMLKL-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPMZSOANCUHYLH-UHFFFAOYSA-N", "SMILES:OC1(CNCc2ccc3nc(Cn4cc(-c5ccc(Cl)c6[nH]ncc56)nn4)cn3c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJJHUPEJNXBQJ-UHFFFAOYSA-N", "SMILES:OCc1ccc2nc(Cn3cc(-c4cc(F)cc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHFGWCDFRAHLI-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWAMYMCVMGPCGI-UHFFFAOYSA-N", "SMILES:OC1(CNCc2ccc3nc(Cn4cc(-c5cc(F)cc6[nH]ncc56)nn4)cn3c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSTXOYYUURUII-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cn(Cc3cn4cc(CNCC5CCCCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQWVOACBKDNYJJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CNCc1ccc2nc(Cn3cc(-c4cc(C5CC5)cc5[nH]ncc45)nn3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKPDBZKZKVLTEL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CCC3)ccc2n1)c1cccc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZGXWKJJQWRAE-UHFFFAOYSA-N", "SMILES:c1cc2[nH]ncc2c(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJQRVBAQFMLKQG-UHFFFAOYSA-N", "SMILES:c1cc2[nH]ncc2c(-c2cn(Cc3cn4cc(CNCC5CCCCC5)ccc4n3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKWFSFKZMJVCMV-UHFFFAOYSA-N", "SMILES:OC1(CNCc2ccc3nc(Cn4cc(-c5nccc6[nH]ncc56)nn4)cn3c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVZVXGEQZRLRN-UHFFFAOYSA-N", "SMILES:c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKOCSFLBNPUDW-UHFFFAOYSA-N", "SMILES:OC1(CNCc2ccc3nc(Cn4cc(-c5cccc6[nH]ncc56)nn4)cn3c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPZWHPCOWOULH-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(Cn3cnc(-c4cccc5[nH]ncc45)c3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVDAJRBGYVITK-UHFFFAOYSA-N", "SMILES:N#CCC(NCC1CCC1)c1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDNGSFSWDZJKMO-UHFFFAOYSA-N", "SMILES:CC1CNC(c2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLCQVGDUBOQSD-UHFFFAOYSA-N", "SMILES:COc1cc(Br)cc2c1OCC(c1ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c1)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLNAWRZIGVQIOG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(C3CNCCN3)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYOXBZAQFQQAA-UHFFFAOYSA-N", "SMILES:O=C1CC(c2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)NC(C2CCCCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTCSKRKIPGVEE-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C(C)(O)c3cnc(-c4cccc5[nH]ncc45)s3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKQJSZYQRPJKJV-UHFFFAOYSA-N", "SMILES:c1cc(-n2cc(Cc3cn4ccccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLFFKPUYBHXHP-UHFFFAOYSA-N", "SMILES:FC1(F)CC(CNCc2ccc3nc(Cc4cn(-c5cccc6[nH]ncc56)nn4)cn3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXYXACHMDYSJNS-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWUGEXYOHTAQH-UHFFFAOYSA-N", "SMILES:c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)cn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFHFMVGTTOUMLI-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAIOZZMUJQULHM-UHFFFAOYSA-N", "SMILES:c1cc(-c2ncn(Cc3cn4cc(CNCC5CCC5)ccc4n3)n2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFJONGNUWXOIK-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRYHXIAWJPQLGQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(Cc3cn4cc(CNCC5(OC)CCC5)ccc4n3)nn2)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXXRIMOGTGNQNP-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CNCC3CC4C=CC3C4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMLGAYHDYXPLRA-SXLOBPIMSA-N", "SMILES:O=C(NCc1cn2cc(CNC[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMLGAYHDYXPLRA-DFQSSKMNSA-N", "SMILES:O=C(NCc1cn2cc(CNC[C@H]3C[C@H]4CC[C@@H]3C4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLMUVMYEOUPRL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CC4CC3CO4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMEODORBLCUNHN-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CC4CCC3C4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHSKYBHGKJSYDL-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn2cc(CN3CC4CCC3CC4)ccc2n1)c1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRUBPYKBZQFFLN-KNUSWQPOSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCNCc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMVOBUDPCUEOQ-CYNRFBAZSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCNCC2CCC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDEZAWSGRHOJQM-WMUPNPRQSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCNCc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJEVYKPGJXTIKS-UPDMOLIWSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCNCC2CC(F)(F)C2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVLFLMHSGIIITI-NFMAGSQXSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCNCC23CC(F)(C2)C3)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBCBNKSHLVTSS-SNKVCABPSA-N", "SMILES:NCC/C=C/[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWHLLJDYOCMKNH-PZQSAPLLSA-N", "SMILES:NCCC/C=C/[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCGSKRCIVZQMLU-MXTAWDICSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](CC/C=C/CNCc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSEUTVLJEZDJNA-DWIQEWEKSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2ccc(CNCC3CCC3)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWENYKOMRVJKNM-INZZEXGYSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2ccc3cc(CNCC45CC(F)(C4)C5)[nH]c3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGVUKRPUBXIFN-BEJSLZBBSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2ccc(CCNCC34CC(F)(C3)C4)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDDSGWGRCEXGP-UTWGOEEISA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/C2CNC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDAEZLLDYCGNZ-HPKOLVLGSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/C2CCNCC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAPWRVCEVCNOPC-RWYNOMPRSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/C2CCCNC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOOCXXDKKKMECD-KKCXERKUSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/C2CCNC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLHBSWBSWYEXMO-ASYTYYIBSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/C2CC(N)C2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHWNCXOQHOCNAO-UTWGOEEISA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/C2COC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZUJZGHRPRNJW-YJAFBHFUSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CC2CNC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCIOCTHPLCWEMM-XDXSQGEBSA-N", "SMILES:Nc1ncnc2c1c(-c1cc[nH]n1)cn2[C@@H]1O[C@H](/C=C/CCCNCC23CC(F)(C2)C3)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCIWOMQUDFJFDC-AOFMDEIUSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCN2CCC3(CCC3)C2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUSOVMFNPIUVRY-COEFMUNZSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@H]1C[C@H](O)[C@@H](/C=C/CCCNCC23CC(F)(C2)C3)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVOCCNITLYDGTN-UPDMOLIWSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCN2CCC(F)(F)CC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKRIBQJCPIBGJ-PAADMKDNSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCN2CCC(F)CC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCHQJPPCBAVVPV-UPDMOLIWSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCN2CCOCC2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXMRDNOWZGHFE-NFUHSAPESA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCN2CCCC(F)C2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJSWGSLXIRCKX-RTFCXSKZSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCNCC23CC(F)(C2)C3)C[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKMGGFLQYDFYHD-IDCZWOOUSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCNCC23CC(F)(C2)C3)[C@H](F)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICOOAQKXZHDEL-INZZEXGYSA-N", "SMILES:Nc1ncnc2c1c(F)cn2[C@@H]1C[C@H](c2ccc3cc(CNCC45CC(F)(C4)C5)[nH]c3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDDDMDGTVIUPW-INZZEXGYSA-N", "SMILES:Nc1ncnc2c1c(Cl)cn2[C@@H]1C[C@H](c2ccc3cc(CNCC45CC(F)(C4)C5)[nH]c3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZFMMALFCILUJL-INZZEXGYSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2ccc3[nH]c(CNCC45CC(F)(C4)C5)cc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPWKXXHQQEEIH-ABZSKANCSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2ccc3cc(CN4CCC5(CCC5)C4)[nH]c3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOQRTFBODRTNCT-BUZMGHMJSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1C[C@H](c2ccc3cc(CN4CCC5(CCC5)C4)[nH]c3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQGPBGFPVDUBX-UWYBZVEKSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2ccc(CNCC34CC(F)(C3)C4)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJLHJBBKTBGSDZ-IYERYRBDSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2ccc(CN3CCC4(CCC4)C3)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZRZQCZXZMCJFT-IYERYRBDSA-N", "SMILES:CC1(C)CCN(Cc2ccc([C@H]3C[C@@H](n4cc(Br)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMLFWEQIJTZXAJ-BEJSLZBBSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2cccc(CCNCC34CC(F)(C3)C4)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRQXAJFOQGYYAS-IYERYRBDSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2cccc(CN3CCC4(CCC4)C3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDGKDPKHHMWNY-UWYBZVEKSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2cccc(CNCC34CC(F)(C3)C4)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKUZAWXFKTOAP-NWNIGYHWSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](c2cccc(C(=O)NCC34CC(F)(C3)C4)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RARBXVBXVAWUHA-NFMAGSQXSA-N", "SMILES:Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](/C=C/CCCNCC23CC(F)(C2)C3)[C@@H](O)[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSJNGSDWNLQEA-GRXQJBFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCC4CCNCC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVSAPZUAESNDAY-QPXQOZNCSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N(CCCO)C4CCNCC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZMINAYRJJTQSC-IQIZDACOSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N(CC[C@H](N)C(=O)O)C4CCNCC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOUDASMWZDGHT-NBCVKUGOSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc5ccc(N6CCC6)nc5c4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGYNFAYGPUCEJ-YRIIQKNPSA-N", "SMILES:COCCN(C(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O)c1ccc2ccc(N3CCC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFFPESKJBHNQL-WPYKKVEZSA-N", "SMILES:Nc1ncnc2c1c(-n1cccn1)cn2[C@H]1C[C@H](O)[C@@H](C(=O)Nc2ccc3ccc(N4CCC4)nc3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUBSROAMHQUEV-DXIQSLLYSA-N", "SMILES:Nc1ncnc2c1c(-n1cccn1)cn2[C@@H]1C[C@H](C(=O)Nc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATJAUYCPNQPYKL-FJIJXJHWSA-N", "SMILES:CN(C(=O)[C@H]1O[C@@H](n2cc(-n3cccn3)c3c(N)ncnc32)C[C@@H]1O)c1ccc2ccc(N3CCC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXZGSQHILNJKH-FJIJXJHWSA-N", "SMILES:Nc1ncnc2c1c(-n1cccn1)cn2[C@H]1C[C@H](O)[C@@H](C(=O)Nc2ccc3ccc(NC4CCC4)nc3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDYJFSEVYUEEV-BJJXKVORSA-N", "SMILES:Nc1ccnc(NC(=O)[C@H]2O[C@@H](n3cc(-n4cccn4)c4c(N)ncnc43)C[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEEWZBXFBKLDQW-QPXQOZNCSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCC4CCN(CCO)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRIEPHIWBIUSI-KSVNGYGVSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCc4cnccn4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBNBEMHWTZFDP-GRXQJBFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCC4CCOCC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSCEIIJIDWUSO-GRXQJBFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCC4CCC(F)(F)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESYGUCCDFFLBX-RQXXJAGISA-N", "SMILES:CN1CCC(CNC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEAJNCPPXMPQES-GRXQJBFDSA-N", "SMILES:CN1CCC(NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGRZCLAYLWSKV-RQXXJAGISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCc4ccccc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDQTUUSTQHNQQ-LESCRADOSA-N", "SMILES:CCNc1ccnc(NC(=O)[C@H]2O[C@@H](n3cc(-n4cccn4)c4c(N)ncnc43)C[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FILHFTADVJSLHJ-ZVDOUQERSA-N", "SMILES:Nc1ncnc2c1c(-n1cccn1)cn2[C@H]1C[C@H](O)[C@@H](C(=O)Nc2ccc3nc(NC4CCC4)[nH]c3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPMANAMZRCDNRH-ZZPIQPOASA-N", "SMILES:CN1CCC(N(CC[C@H](N)C(=O)O)C(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXGAXBQMQNDDPA-UGCAPWQASA-N", "SMILES:CNc1ccc2ccc(NC(=O)[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KREJTXVIQBJJQB-RNLGNXJRSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc5ccc(N6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGIEDRCYQDJBB-KEXUJGGDSA-N", "SMILES:Nc1ncnc2c1ccn2[C@@H]1O[C@H](C(=O)Nc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTRYSFDFIFLQHT-DWLFOUALSA-N", "SMILES:CNc1ccc2ccc(NC(=O)[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)C[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUIGOXTLZUKNI-ZDFWUKLQSA-N", "SMILES:CNc1ccc2ccc(N(CC[C@H](N)C(=O)O)C(=O)[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMPHYKBAHBLFEJ-HFXGWRGPSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N(CC[C@H](N)C(=O)O)c4ccc5nc(N)[nH]c5c4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQCUFTGCWIMALT-QPXQOZNCSA-N", "SMILES:COc1cccc(CNC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVQMSPDEHVTJLZ-JPLXVROMSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWUFPKCHLDECDK-QVSURHGTSA-N", "SMILES:CN1CCC(NC(=O)[C@H]2C[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMPGBDNVPYTVPO-OVDFTCDZSA-N", "SMILES:CN1CCC(N(CCCNC(=O)OCc2ccccc2)C(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPXWJIFZIZQJN-IMIIHFCZSA-N", "SMILES:CN(C)CCCN(C(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGHQSFKSGYAABV-CMCWBKRRSA-N", "SMILES:N#Cc1cn([C@@H]2O[C@H](C(=O)Nc3ccc4ccc(N5CCC5)nc4c3)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLQIBMXOODUJNH-BASJXEDTSA-N", "SMILES:CN1CCC(NC(=O)[C@H]2O[C@@H](n3cc(C4CCCO4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHXOCJXYZXLDRI-RQXXJAGISA-N", "SMILES:CN1CCC(NC(=O)[C@H]2O[C@@H](n3cc(C4CCCC4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDQTTUADPDHJK-QPXQOZNCSA-N", "SMILES:COCCn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCN(C)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOHIREHMRHRXMA-IMIIHFCZSA-N", "SMILES:C#CCCCN(C(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSFWABRNBSETR-NWZZKEMCSA-N", "SMILES:CN1CCC(NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@@H](F)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBGVQKBVRSHTTD-AIFLQVKLSA-N", "SMILES:CNc1ccc2ccc(NC(=O)[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGMLMWPDWFQNTK-NWZZKEMCSA-N", "SMILES:CNc1ccc2ccc(NC(=O)[C@H]3O[C@@H](n4ccc5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGFREWKWVYDFC-GRXQJBFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc5nsnc5c4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUCNIYCZPSWZIU-GRXQJBFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCN(S(C)(=O)=O)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULXAJBKZTUNCEJ-RQXXJAGISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCC4CCOCC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPVYZWFEJCDBN-QPXQOZNCSA-N", "SMILES:COc1ccccc1CNC(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOPUYOUKCYEDLP-NBCVKUGOSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc(-c5ccccc5)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSWOSDJELDISX-QPXQOZNCSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N4CCc5ccccc54)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDVDCMKUQKLOMY-NBCVKUGOSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDNUOJZRVMSIQ-RSNJQQITSA-N", "SMILES:CC(CNC(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIFWYLIEJPVFDC-GRXQJBFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCCn4ccnc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZLXOTJGPASSIG-IOMWDEJLSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCC(O)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYIMYVWSJOSBMJ-QCUYGVNKSA-N", "SMILES:Cn1cc(NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWFXZGGNZJHHG-RQXXJAGISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4cccc(C#N)c4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEJYEZMXBZAQPX-KSVNGYGVSA-N", "SMILES:Cc1cc(CNC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVOXFHORIOURS-UGCAPWQASA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNFKGYLUSOOHV-QPXQOZNCSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCc4ccc(C(F)(F)F)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLBGKCYFKRYJD-QCUYGVNKSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccnn4C)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRVJPRSVZQAADA-UGCAPWQASA-N", "SMILES:CCCCc1ccc(NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGPWMTULRWEPGC-QPXQOZNCSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCc4ccc(Cl)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBJIBJBCCTWHY-RQXXJAGISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCc4ccncc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNTYWZOZKXLYFK-QPXQOZNCSA-N", "SMILES:Cc1cc(C#N)ccc1NC(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYIWTWVVQHFFU-UGCAPWQASA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc5ccccc5c4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXWFYTVCIKLGOF-SLWWVJOCSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC(Cc4ccccc4)c4ccccc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNBOTNPBAIOQK-APSVEGKFSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCc4ccc(-c5ccccc5)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBCBBTPOKZSHIP-RQXXJAGISA-N", "SMILES:Cc1cc(F)ccc1NC(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAKPGXWRMNVZKO-GRXQJBFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4cccc5nsnc45)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRJRRMDOOWFAD-AKTXLMLESA-N", "SMILES:COc1ccccc1[C@H](C)NC(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPRTULADNMPBA-QPXQOZNCSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCC4CCCCC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTAYOOKHSWDOHL-UGCAPWQASA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCc4ccccc4-n4cccn4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVRGGKJDNVWYND-KSVNGYGVSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccncc4Cl)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMVMSFDIOYUIGL-CMCWBKRRSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc5c(c4)NC(=O)CC5)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOHOWZOJLREFL-CMCWBKRRSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc5c(c4)OCCCO5)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBOBWYXKGQUGDX-IMIIHFCZSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc(CN5CCS(=O)(=O)CC5)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKICSUJFIAZSO-CMCWBKRRSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4Cc5ccccc5C4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBKMMWYDEFTAQY-UGCAPWQASA-N", "SMILES:CN1CCN(c2ccc(NC(=O)[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWGZFHYFHMAGKM-NICAYJAGSA-N", "SMILES:CCC(NC(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOJVCNFKJBFQCO-RQXXJAGISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCCN4CCCC4=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJFBWEIBRXUTNK-QPXQOZNCSA-N", "SMILES:CC(=O)Nc1ccccc1NC(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTVVFAWYGHZSL-IMIIHFCZSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCc4ccc5ccccc5c4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVCWYLYGBMIBRQ-GRXQJBFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc(OC(F)F)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUFNMMGTXGXVPE-QPXQOZNCSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCc4ccccc4Cl)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDRXUBJWINEQZ-NBCVKUGOSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCc4ccc5ccccc5c4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GURKAECCXBONGN-JLFWUPFSSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc(C(=O)N5CCCCC5)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFKIVGHTPSIIPA-DDOIHHOZSA-N", "SMILES:CNC(=O)c1ccc(NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKXKUMSILGDDJC-ALPZNFTHSA-N", "SMILES:CC(CCc1ccccc1)NC(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTMKYSVFFVHGSE-RQXXJAGISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc(-n5cnnn5)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDMOXUFTHOHLP-NBCVKUGOSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccc(OCCN5CCOCC5)cc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBUQVOZARDKIL-RQXXJAGISA-N", "SMILES:COc1ccc(NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZDGUZAJHWYQLJ-QPXQOZNCSA-N", "SMILES:Cc1nc2cc(NC(=O)[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZRMWXNYPAVRSI-RQXXJAGISA-N", "SMILES:CNc1nc2ccc(NC(=O)[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVTMJHXAJSJIJB-GRXQJBFDSA-N", "SMILES:CNC(=O)Nc1cc(NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZIQSLJXRARYPS-CMCWBKRRSA-N", "SMILES:CN1CCC(N(CCC#N)C(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXVZRHEPCWKQS-CMCWBKRRSA-N", "SMILES:CN1CCC(N(CCCO)C(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYZOLNVYTJFHLM-CMCWBKRRSA-N", "SMILES:CN1CCC(N(CCCN)C(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVCPMWFSPWQGY-CMCWBKRRSA-N", "SMILES:CN1CCC(N(C(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMGRFQINYPYNCA-NBCVKUGOSA-N", "SMILES:CN1CCC(N(CCCc2cnoc2)C(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJAYJXRBDEREO-XGIKPWGXSA-N", "SMILES:CN1CCC(N(C[C@H]2CCNC2)C(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFKJUKYINQBKY-UGCAPWQASA-N", "SMILES:CN1CCC(N(CCCC#N)C(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USKRIRBSNVMSTN-KSVNGYGVSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4cccnc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDMZRDYSAYRKH-WFXPICPOSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N[C@H]4CCc5nc(N)sc5C4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHUDVSFXQKAJPK-CMCWBKRRSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4cc(NC5CCC5)ccn4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFURLHFFODVRHZ-CMCWBKRRSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4cc(NCC5CC5)ccn4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJMLOLDZRVYHI-QPXQOZNCSA-N", "SMILES:COCCNc1ccnc(NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGUHJKRXPMBEY-RQXXJAGISA-N", "SMILES:CN(C)c1ccnc(NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHQMWDFBWCSXPT-CMCWBKRRSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccnc(NC5CCC5)c4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVJMFHDJGPYKLA-QPXQOZNCSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4cc(N5CCC5)ccn4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCOJGQZPBAKOGD-RQXXJAGISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4cc(NCC(F)F)ccn4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUQHCNGSIQZOV-GRXQJBFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4ccccc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNZXPIBYGLZSF-QCUYGVNKSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N4CCNCC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVWVMNOAHXDHJ-RQXXJAGISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCN(CCO)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJFWQDWRXBVAI-FIBZFJQZSA-N", "SMILES:CN1CC[C@@H](NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJLIJVRIGWPPF-MOAVAMIZSA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)[C@H]1O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLZQUBXMVIDDQ-PBBNPIHESA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCc5cnc(N)nc5C4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLSHESUSBQPONM-BYZAXBFFSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCNC(C)(C)C4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAAXEJCOZHVLW-RQXXJAGISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCc4cc(F)cc(F)c4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQLHMKBCVSSON-QPXQOZNCSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCc4ccccc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSJWYJCQINEHY-QPXQOZNCSA-N", "SMILES:CNc1cccc(CCNC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHFFBRYFHFPZFD-ZQOQXOFYSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCc5nc[nH]c5C4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMTXVXQTQRVQHI-PQLWCLRVSA-N", "SMILES:C[C@H](NC(=O)[C@H]1O[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDMZRDYSAYRKH-GVFTWGKLSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N[C@@H]4CCc5nc(N)sc5C4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFXTWOXDJLLLY-KSVNGYGVSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCC4(O)CCNCC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIAXKEIJSOITHA-NBCVKUGOSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCN(Cc5ccccc5)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMVMFUEEIAGIK-XLZRBJSTSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N[C@H]4CC[C@](C)(O)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJFWQDWRXBVAI-DUBGADTFSA-N", "SMILES:CN1CC[C@H](NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJLIJVRIGWPPF-KSPANDNISA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@H](NC(=O)[C@H]1O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDKKNHZRPOBLP-UAUQGLBQSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCN5CCCC5C4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRVUJADOXCFNQH-PBBNPIHESA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCn5ccnc5C4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLKXTLZTNLMGLU-RQXXJAGISA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCC5(CC4)CNC5)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMVMFUEEIAGIK-KTDXBBLPSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N[C@H]4CC[C@@](C)(O)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVPTMWTKQPMRW-KSVNGYGVSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CC5(CNC5)C4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJXGUKIIWTSQP-ZWWNWMRKSA-N", "SMILES:C[C@H]1C[C@H](NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJXGUKIIWTSQP-ATHPGAMDSA-N", "SMILES:C[C@H]1C[C@@H](NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWKQTUXGXSWCDD-QCUYGVNKSA-N", "SMILES:CN1CC(NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMKMNMBGLYSSCF-GRXQJBFDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N4CCc5[nH]cnc5C4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADWOQNBAWGKEG-QCUYGVNKSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXJQDDRWMMLCV-FIBZFJQZSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N[C@@H]4CCCNC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXJQDDRWMMLCV-DUBGADTFSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)N[C@H]4CCCNC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSYRPYAWNHUPGY-IMIIHFCZSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCN(c5ccccc5)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHHNNRRHVNOSH-UGCAPWQASA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCN(c5ccccn5)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXJQYJGKIJOWPN-UGCAPWQASA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCN(CC5CCC5)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBZHEINLFUIQJ-CMCWBKRRSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCN(C5CCC5)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRBYTWFWKVVLQ-NBCVKUGOSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NC4CCN(C(=O)OCc5ccccc5)CC4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQMZHUCEQVMBR-QPXQOZNCSA-N", "SMILES:CCNc1cc(CNC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCNZRRBABACDM-KSVNGYGVSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)NCCc4c[nH]cn4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNBROSXRNFARP-DCJVNFDWSA-N", "SMILES:C[C@H]1C[C@@H](NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNBROSXRNFARP-BYYUUWASSA-N", "SMILES:C[C@@H]1C[C@H](NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNBROSXRNFARP-WEJIIORJSA-N", "SMILES:C[C@H]1C[C@H](NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNBROSXRNFARP-IBGNWTHFSA-N", "SMILES:C[C@@H]1C[C@@H](NC(=O)[C@H]2O[C@@H](n3cc(-c4ccn(C)n4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPBPIWGCQZFJE-MOROJQBDSA-N", "SMILES:Cn1ccc(-c2cn([C@@H]3O[C@H](C(=O)Nc4cc[nH]n4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRQXIAYHPMEOGI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQZGWKSONZMFES-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNAINSJZDSTWLB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(CC3CC3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TURPZDGDOFIIAY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cc[nH]c(=O)c3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVETYOAPFOPGMZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLGTSLZQWBCCY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccc(C(F)(F)F)cc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRAFASMEHNGMPM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccc(F)cc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGJZJLPQLZFUCT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccc(OC(F)(F)F)cc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDEXMIUMEHBTJG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPOOJYGHWHUUAK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccc(OC(F)(F)F)c3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZLYYNIXTDGFFV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccc(C(F)(F)F)c3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKMJALOBLNOQC-LBPRGKRZSA-N", "SMILES:C[C@@H](c1cccc(F)c1)n1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWANNXQSAIMSBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccncc3F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJCTGMIFAJYME-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3nncs3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXUZUDZKANASJI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cocn3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXIUAQZKVUKSMY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccc(F)c3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFPGFIOQZHGAST-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccncc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQUVFLKIIFXKX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3C(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRPOLWNHFDJHC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccc(C(F)(F)F)nc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFYKPCROLPWOT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(C3(c4ccccc4)CC3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMWHZIHJJKVPV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(C3(c4ccccc4F)CC3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URFRWUGGDSWFMD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccc(F)c3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUGKYBZBJBVHRY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYBIOFGTHQMOKK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncsc1C(=O)NCc1ccccc1F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRSWWCCGCLHKQN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncsc1C(=O)NCCc1ccccc1C(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMMWZVJNGGKCEV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncsc1C(=O)NCc1ccccc1C(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJNIROLOVFRDR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncsc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIDBGNWXBSMBC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncsc1C(=O)NCc1ccc(F)cc1F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYRAWTCAVCWUFW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncsc1C(=O)NC1(c2ccc(F)cc2)CC1)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSNAIXREVPOZMN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncsc1C(=O)NCC1CCC(F)(F)CC1)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVGVKWGCNAWFTA-UHFFFAOYSA-N", "SMILES:Cc1nsc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c1C(=O)NCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSNYQOSZTNNPHJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1scnc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNJLQRFYFQVHW-UHFFFAOYSA-N", "SMILES:O=C(Nc1scnc1C(=O)NCc1ccccc1F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILQGPQCBMPSKRJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1scnc1C(=O)NCc1cccc(F)c1)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQAVEMXEWSFJD-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNC(=O)c1sccc1NC(=O)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZVZTXRSBBUOR-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCn1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCZSOMPVPDRCI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)sc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGSRYWEXITBJK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)sc1C(=O)NCCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWEAYWNCMHHORO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccc(C(F)(F)F)c3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKABGMNVFRRMU-NSHDSACASA-N", "SMILES:C[C@@H](c1cccc(F)c1)n1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCXQLIVJYVQLJZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3C(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAIOCRXULQWGKI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3F)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBJJVIAMUCEUMP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Cn3cnc4cccc(NC(=O)c5cc(Cl)c(O)c(Cl)c5)c4c3=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJKMJALOBLNOQC-GFCCVEGCSA-N", "SMILES:C[C@H](c1cccc(F)c1)n1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLXMECCYXGERTH-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUJKSLBKPDJET-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccc(OC(F)(F)F)c3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMCJQXDPZFPKL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccc(OC(F)(F)F)cc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYKIVMPAJJUEY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccccc1Cn1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDSPCTVLJBGZJF-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1ccc(Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEDWRVDOKSMNOJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Cn1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFGJUPNCMJJDSJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncnc(NCc3ccccc3OC(F)F)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGWEDVAJIMBAP-UHFFFAOYSA-N", "SMILES:Cn1ccc(Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZTXCPRHVMFMTL-UHFFFAOYSA-N", "SMILES:CC(C)(C)CCn1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYZWHUSLLXGMC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccc(OCCO)cc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYNCNWDWMHTRB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBYJPJPAPZOQSX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1cccc(Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYSGKFNNCBJQGS-UHFFFAOYSA-N", "SMILES:CC(C)(C)CCn1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQRUYWAWBOJVSJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1ccc(Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)n4)c3c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOXKTWNBYHIQN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccc(N4CCS(=O)(=O)CC4)cc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIIRSNMLACYKT-UHFFFAOYSA-N", "SMILES:Cc1nc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHRTZCRYPAKZOS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccc(OC(F)(F)F)c3)c(=O)c12)c1ccc(Cl)c(O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQZZOAKBUXUPF-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1Cn1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYYXVGZPKYARW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3n[nH]c4ccccc34)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMZEUMSBKPNAO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZWZBFVDQWGHU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2nc(C(F)(F)F)n(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOCYKGXZMDKDAU-UHFFFAOYSA-N", "SMILES:CC(C)(C)CCNC(=O)c1ccccc1NC(=O)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQVMTDPMVXZLR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(C3(c4ccccc4F)CC3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHHZTXMCQIAFM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWMIQKXJVYBDM-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1OC(F)(F)F)n1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIKOCLNVTGNEHB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ncccc3C(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFMBTNIIAHHRKR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccn(-c4ccccc4F)n3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZFJHJVVLOUKZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccn(-c4ccccc4)n3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYDGYDPIBIQNF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(C(c3ccccc3)c3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWJLSDLYOKGNFO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccccc1Cn1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAOKJGMWNYYCN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccnc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIGZIVAJCVUOS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYPBLQVDALJCDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccnc3C(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYDOAWXKEGVFTP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3N3CCS(=O)(=O)CC3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDQFKAHFLUNMB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3N3CCOCC3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOLYGSUKXZIFOT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OCCO)cc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEOTUYNVDLKPLU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccnc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMWODOZNJBAVPM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ccccc3OC(F)(F)F)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWOVWZSEKLRHL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ccccc3OC(F)(F)F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAWPCXZWIWNZSW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVNGAMTKIRFQO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ccccc3OC(F)(F)F)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZHTISKQGJZBC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSIBEGKVMGTRRY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(Cc2ccccc2OC(F)(F)F)c(=O)c2c(NC(=O)c3cc(Cl)c(O)c(Cl)c3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPWRGRGXEBRJJE-UHFFFAOYSA-N", "SMILES:Cc1ccc2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c2c1NC(=O)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKOKSACSYSGRDY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccnc2[nH]c(=O)n(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCODTGWXHLOIOF-UHFFFAOYSA-N", "SMILES:Cc1nc2nccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUAOLXXMARVAGN-UHFFFAOYSA-N", "SMILES:O=C(Nc1csc2ncn(Cc3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWRZKVAMFLVTI-UHFFFAOYSA-N", "SMILES:O=C(Nc1csc2ncn(Cc3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHQUDFXKZBWITC-UHFFFAOYSA-N", "SMILES:Cn1nc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ccccc3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDZLFYQJJDMYKI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cnn4ccccc34)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KODCHVVNQFJHQR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2nc(C(F)(F)F)n(C3CC3c3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUCBJRRATVULJ-MGPUTAFESA-N", "SMILES:O=C(Nc1cccc2ncn([C@@H]3C[C@H]3c3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFBLRZRXOHPZFY-UHFFFAOYSA-N", "SMILES:O=C(Nc1csc2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVGPZJFJYWKHCE-UHFFFAOYSA-N", "SMILES:O=C(Nc1csc2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPDPVMPVHYWRK-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2ccccc2Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCIWSRNMZYDLC-UHFFFAOYSA-N", "SMILES:Cn1nc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ccccc3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHFQDGUHUZBGU-SCLBCKFNSA-N", "SMILES:O=C(Nc1cccc2ncn([C@@H]3C[C@H]3c3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHFQDGUHUZBGU-ACJLOTCBSA-N", "SMILES:O=C(Nc1cccc2ncn([C@H]3C[C@@H]3c3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXQFHWBGIIKKE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3-c3ccccn3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEGZNMSXXBHMPJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ccccc3-c3ccccn3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBGIZFZMCQXFG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ccccc3OC(F)(F)F)c(C(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBPLYJOHPQMTO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(Cc2ccccc2OC(F)(F)F)c(=O)c2c(NC(=O)c3cc(Cl)c(O)c(Cl)n3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUVILNIDUKXDIM-UHFFFAOYSA-N", "SMILES:Cc1nsc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c1C(=O)NCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUIZZDFJAWSZNV-QMMMGPOBSA-N", "SMILES:Cc1nsc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c1C(=O)N[C@@H](C)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GELRXIBHKSLXOJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2nc(C(F)(F)F)n(C3CC3c3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBIXVZCWTPVAOI-UHFFFAOYSA-N", "SMILES:Cn1nc(Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFSNAZMQRCGWCA-UHFFFAOYSA-N", "SMILES:Cn1nc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ccccc3OC(F)(F)F)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NITUCTZNPCAYFS-UHFFFAOYSA-N", "SMILES:Cn1nc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ccccc3OC(F)(F)F)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBHZCAZJFNPHR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1OC(F)(F)F)C1CCCCN1C(=O)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTFIRIJMBHEQC-IERDGZPVSA-N", "SMILES:O=C(Nc1cccc2ncn([C@H]3CC[C@@H]3c3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIQFSVUHTUUCGO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccnc3Cl)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELTVZJUHWOVEV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(C(CN3CCOCC3)c3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHJYBRUCZJSBPN-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccc2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHJFQRPGPHCJLK-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc(C(F)(F)F)nc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAOZBUGERNTVQA-VIFPVBQESA-N", "SMILES:Cc1nsc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c1C(=O)N[C@@H](C)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNIRPIJKLFJVIF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccnc3Cl)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWXHQHNSFTWQQH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ncccc3F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPIZIXPGNXBMV-UHFFFAOYSA-N", "SMILES:Cc1ccc2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c2c1NC(=O)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APJYFUKQUOCBOB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHSIJXGZCIRNB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c2ncn(Cc3ccccc3OC(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLNGVSVXODZKFD-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRBOBRBSVXCQN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccnc3F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDJFZEJPVFNUNI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3cccnc3F)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWIYNDBFXICYQW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ncccc3F)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUQNXIQURRVRBT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ccccc3OC(F)(F)F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAXNXMLTDFVGIG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3cccnc3C(F)(F)F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDTISCHRMRFVLR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ncccc3Cl)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCIZYZLJFBTLE-TZMCWYRMSA-N", "SMILES:O=C(N[C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWRMWTMELMXQTO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ncccc3C(F)(F)F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXEKDELASHHSFD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3cccnc3C(F)(F)F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABOUVQCQUSZOAA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncn(Cc3ncccc3Cl)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYMKMXCMBFWJSZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ccccc3OC(F)(F)F)c(C(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBENCCPOMIIMPQ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWLKLPGOFPETDX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ccccc3C(F)(F)F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLRQISIULFOLV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ccccc3OC(F)(F)F)c(CF)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJIZVJNGFKCBNQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ncccc3C(F)(F)F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMXINSUIXWPPTL-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ncccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGALFBJTQIUHZ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1ncccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUYWFJNMOLFYHN-UHFFFAOYSA-N", "SMILES:Cc1nc2c(Cl)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMUOCIPRQOBKQ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1C(C)c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTZAKCFKZQRBD-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRYOKZVYBHMHZ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBVFJWTULVQMPQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ccccc3OC(F)(F)F)c(C(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPICUTWCIWVLI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3nn(C)c4ccccc34)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPAFCMZUYAKWSK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ccccc3C(F)(F)F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSBVSXIRNGCVKT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ncccc3C(F)(F)F)c(C(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTRJXPQINJBQX-UHFFFAOYSA-N", "SMILES:Cc1nc2c(Cl)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1ncccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKPFLZAIKDNJR-UHFFFAOYSA-N", "SMILES:Cc1nc2c(Cl)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ncccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWLANBWIZZMUHP-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ccccc3C(F)(F)F)c(C(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBOVPHNKKHUJMC-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWOVWZSEKLRHL-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])c1nc2c(C)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROQJPHBKVRNQBS-UHFFFAOYSA-N", "SMILES:Cc1nc2c(Cl)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTZAKCFKZQRBD-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])c1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRRJWHNPTCAPTM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ncccc3Cl)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMUOCIPRQOBKQ-NSHDSACASA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1[C@@H](C)c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMUOCIPRQOBKQ-LLVKDONJSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1[C@H](C)c1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJKQZYTWHGKICI-IFXJQAMLSA-N", "SMILES:O=C(Nc1cccc2ncn([C@@H]3CC[C@H]3c3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUQNXIQURRVRBT-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])c1nc2c(C)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNDXULVVCLTPLR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ncccc3C(F)(F)F)c(C(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVPLAKUMFGQYAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ncccc3Cl)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWLKLPGOFPETDX-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])c1nc2c(C)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPAFCMZUYAKWSK-BMSJAHLVSA-N", "SMILES:[2H]C([2H])([2H])c1nc2c(C)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXKVSFKVVIWKT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ccccc3C(F)(F)F)c(C(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYZVTPRWSLLKU-UHFFFAOYSA-N", "SMILES:O=C(Nc1scnc1C(=O)NCc1ccccc1C(F)(F)F)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIAWJXJEELGKCC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ncccc3F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRYOKZVYBHMHZ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])c1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGHZRPARZADWRA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3ccccc3C(F)(F)F)c(CF)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLAZLWILBRLDTM-UHFFFAOYSA-N", "SMILES:Cn1nc(CNC(=O)c2ncsc2NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSCGTAHGZVVCZ-UHFFFAOYSA-N", "SMILES:Cn1nc(CNC(=O)c2ncsc2NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXOMJVGNQQERMO-UHFFFAOYSA-N", "SMILES:O=C(Nc1scnc1C(=O)NCc1cccc(F)c1)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYVWFEKAGUEUIO-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1nn(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMRHSOHZKBVFB-UHFFFAOYSA-N", "SMILES:O=C(Nc1scnc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEOQYPDHRWMGBP-UHFFFAOYSA-N", "SMILES:O=C(Nc1scnc1C(=O)NCc1ccccc1C(F)(F)F)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFRKPHDIXBTYJR-UHFFFAOYSA-N", "SMILES:O=C(Nc1scnc1C(=O)NCc1cccc(C(F)(F)F)n1)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFXZXXYHYTVLEI-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1nn(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRRJBZLNRDWBEQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3ncccc3F)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFYNKKURGFMRK-UHFFFAOYSA-N", "SMILES:O=C(Nc1scnc1C(=O)NCc1ncccc1C(F)(F)F)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIZYQCVHYMKCR-UHFFFAOYSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZNYRIJFBOVMCY-UHFFFAOYSA-N", "SMILES:O=C(Nc1scnc1C(=O)NCc1cccc(C(F)(F)F)n1)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSFTVIJJXNWUCC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n(Cc3cccc(C(F)(F)F)n3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWLKLPGOFPETDX-ZWGOZCLVSA-N", "SMILES:[2H]C([2H])(c1ccccc1C(F)(F)F)n1c(C)nc2c(C)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPAFCMZUYAKWSK-KBMKNGFXSA-N", "SMILES:[2H]C([2H])(c1ccccc1C(F)(F)F)n1c(C)nc2c(C)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAKMCKBVMCHZPI-OXJNMPFZSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n([C@@H]3CC[C@H]3c3ccccc3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZMJUBMTWPRQH-PGRDOPGGSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)c2c(=O)n([C@@H]3CC[C@H]3c3ccccc3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNRWZCKFFEZQQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c2ncn(Cc3ccccc3C(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRFGXWKZYTWBSK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2c(=O)n(Cc3cccc(C(F)(F)F)n3)c(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOIBXQUGBQRDW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c2ncn(Cc3ccccc3C(F)(F)F)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEFAEKVTHRJTKM-KUHUBIRLSA-N", "SMILES:Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1[C@H]1CC[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMQUSJQZQWKQBL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL599054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UROLFQZUYMCOHV-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1nc2ccccc2c2[nH]c3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEYBIZZXSMKHDX-ISVAXAHUSA-N", "SMILES:O=C(Nc1cc(Cl)c(C(F)(F)F)cn1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOHPOYBFHKASJS-ISVAXAHUSA-N", "SMILES:O=C(Nc1cc(Cl)c(Cl)cn1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRBLLBRKSJLPU-QPUJVOFHSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)n1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQWBYAYDOPHDHJ-TVQRCGJNSA-N", "SMILES:O=C(Nc1cc(Cl)c(Cl)cn1)N1[C@H]2CC[C@@H]1c1c[nH]c(=O)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWEUGLSKVVNNSP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)nc1)N1C2CCC1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYALOAOGECQGAB-SMDDNHRTSA-N", "SMILES:O=C(Nc1cncc(Cl)c1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVKCXMNFHUEBBE-WMLDXEAASA-N", "SMILES:O=C(Nc1ccc2nc(C(F)(F)F)ccc2c1)N1[C@H]2CC[C@@H]1c1c[nH]c(=O)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCKWCYDJKVQHPO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)c(Cl)cn1)N1C2CCC1c1c[nH]c(=O)c(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXWGPXHOGFQRPF-TVQRCGJNSA-N", "SMILES:O=C(Nc1cnc(Cl)c(Cl)c1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAGJXXAFKYSMQO-GXFFZTMASA-N", "SMILES:O=C(Nc1cnc(Cl)c(Cl)c1)N1[C@H]2CC[C@@H]1c1c[nH]c(=O)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGAPCJAFHAZDKF-TVQRCGJNSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ncc1F)N1[C@H]2CC[C@@H]1c1c[nH]c(=O)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGMYUQWXKVREZ-XHDPSFHLSA-N", "SMILES:O=C(Nc1cnc(-n2nccn2)c(Cl)c1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOBUYCREFUQRA-ISVAXAHUSA-N", "SMILES:O=C(Nc1cnc(Cl)cc1F)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXPGZHXHXKOQF-TVQRCGJNSA-N", "SMILES:O=C(Nc1cc(Cl)c(C(F)(F)F)cn1)N1[C@H]2CC[C@@H]1c1c[nH]c(=O)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKKWFQGAFZQSN-ISVAXAHUSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)ncc1F)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMSGGARVNHIAW-GXFFZTMASA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cn1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQLUGVGUSHEBDS-JVXZTZIISA-N", "SMILES:O=C(Nc1nc(Cl)c(Cl)cc1F)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBTUAAVPAHPUOK-GZMMTYOYSA-N", "SMILES:Cc1nonc1NC(=O)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKLKENLUBXLDDL-SWLSCSKDSA-N", "SMILES:O=C(Nc1noc(-c2ccccc2)n1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOCJZFKTQTFBX-IMTBSYHQSA-N", "SMILES:O=C(Nc1nnc(C(F)(F)F)s1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITHXSFLXYSNYEY-SMDDNHRTSA-N", "SMILES:O=C(Nc1nnc(-c2ccncc2)s1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVQVBFWNRLZTGL-JOYOIKCWSA-N", "SMILES:O=C(Nc1ncc(C(F)(F)F)cn1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHCHAGWNWMSBHJ-GZMMTYOYSA-N", "SMILES:CCc1nnc(NC(=O)N2[C@H]3CC[C@@H]2c2ccnc(F)c2C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XANOICIYNFMTES-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)c(C(F)(F)F)cn1)N1C2CCC1c1cncnc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCZWJICZCLDGI-XJKSGUPXSA-N", "SMILES:O=C(Nc1cnc(-c2ccccc2)s1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKZDYDMZFMHITA-IMTBSYHQSA-N", "SMILES:O=C(Nc1nc(Cl)c(Cl)s1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWFGOWARTXKAQA-JOYOIKCWSA-N", "SMILES:O=C(Nc1nnc(C2CC2)s1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUEPDVCNZPPJLW-SWLSCSKDSA-N", "SMILES:O=C(Nc1nnc(-c2ccccc2)s1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAQMEDCDRLHQKR-ZUZCIYMTSA-N", "SMILES:O=C(Nc1ccc2nonc2c1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHQJQNOKQZYIW-OIBJUYFYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)on1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJYMLBZUZGFZHW-GXFFZTMASA-N", "SMILES:N#Cc1ccc(NC(=O)N2[C@H]3CC[C@@H]2c2ccnc(F)c2C3)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BATGADSKIHFNSH-IINYFYTJSA-N", "SMILES:N#Cc1cnc(NC(=O)N2[C@H]3CC[C@@H]2c2ccnc(F)c2C3)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYDWNWWNWFHLB-TVQRCGJNSA-N", "SMILES:O=C(Nc1ccc(OC(F)F)cn1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBVGMPMJNHYLMI-TVQRCGJNSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cn1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKVEAPFTPUDFE-SMDDNHRTSA-N", "SMILES:N#Cc1ccc(NC(=O)N2[C@H]3CC[C@@H]2c2ccnc(F)c2C3)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYFJGCLWPTRMT-SWLSCSKDSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)no1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFXCWKKHYGHWBY-SUMWQHHRSA-N", "SMILES:O=C(Nc1ccc2nc(C(F)(F)F)ccc2c1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQMNXMVIFKQLF-SWLSCSKDSA-N", "SMILES:O=C(Nc1nnc(-c2ccccc2)o1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWYKKYIRKPEKA-IINYFYTJSA-N", "SMILES:N#Cc1cnc(NC(=O)N2[C@H]3CC[C@@H]2c2ccnc(F)c2C3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODCYCGZXMHTZDN-GXFFZTMASA-N", "SMILES:N#Cc1ccc(NC(=O)N2[C@H]3CC[C@@H]2c2ccnc(F)c2C3)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCUIGCOGAMJRSK-WCBMZHEXSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)on1)N1[C@H]2CC[C@@H]1c1c[nH]c(=O)cc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFLIKIGKUZNLHX-OIBJUYFYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)no1)N1[C@H]2CC[C@@H]1c1ccnc(F)c1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPCISSOUYQFTL-GZMMTYOYSA-N", "SMILES:COC(=O)c1cc(NC(=O)N2[C@H]3CC[C@@H]2c2ccnc(F)c2C3)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGEPPXFUDZOILN-QPUJVOFHSA-N", "SMILES:N#Cc1cc(NC(=O)N2[C@H]3CC[C@@H]2c2ccnc(F)c2C3)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSNPVVPIZZIBP-UHFFFAOYSA-N", "SMILES:C#CCOc1nnc(NC(=O)c2ccncc2-c2ccccc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXUOEYOZWKGDG-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2c(F)cccc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEOXXSDZIZCRY-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULUCITPKXITSSM-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCC(C)(C)C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCNVXHXTSJGTTJ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXZJREVZOUTRAS-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSNLLWZSKKJCLG-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUJVNJIQXGTBJQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCKKVJYQGAKAQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)ccc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTLDAAXHXZJDLG-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC(C)(C)C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHUYUWGRLOECT-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJYHAOWTNZPAGB-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYUIHMXHFZTCQS-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2COC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGJCYGSDNJGYEF-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC(C)(C)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFCGEYFBLKZDT-PHIMTYICSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFCGEYFBLKZDT-XYPYZODXSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXLDCQGKNNPTRN-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFFXDYHEBXOIFB-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFVWREUJBMHILP-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC(C)(C)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFUNPHMTHBNHW-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC(C)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIDPPDHXCLBCD-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJTAWKCMNULOOS-NSHDSACASA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJTAWKCMNULOOS-LLVKDONJSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWMZKSXZDBWJGO-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2(C)COC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJLNKGTCRYVCA-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCS(=O)(=O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCRAOAPTVIBLJ-BETUJISGSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVCRAOAPTVIBLJ-JOCQHMNTSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFHSCZFLTBGXOA-UHFFFAOYSA-N", "SMILES:CCOc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKKDKSEBORIQU-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTNMJGUANZIUHQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)ccc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVBXIFINCOAYML-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJRSXCYDYGWHT-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2c(F)cccc2OC(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPJHFYXKBSNWDD-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)ccc2OC(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOUYRBUDSDIHFI-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2c(Cl)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAAGKNMLBIKFHS-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2c(Cl)cccc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUUBYHHJRRWZRU-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccccc2OC(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTENFGVCNOXMBF-UHFFFAOYSA-N", "SMILES:CCCOc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCOOGPYFKTVBU-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2c(F)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGTNJPNIIDIFMS-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)ncc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWLFSNSTGVOMEN-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2c(C)n[nH]c2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KACNBTZYHJZYBM-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)ncc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAFRDKSLTAIQGF-UHFFFAOYSA-N", "SMILES:CCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJOVNZHXEXHKLF-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)nnc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYULBGKQVLJPMH-UHFFFAOYSA-N", "SMILES:CCc1cc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c(OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENLBOLPIJDBKQ-RYUDHWBXSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENLBOLPIJDBKQ-NEPJUHHUSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MALLSILCFRQMTL-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2c(OC)cnc(Cl)c2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPPNXXJUYVSJX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)ncc2OC(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXWOLXRSVZKME-UHFFFAOYSA-N", "SMILES:CCc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVUYGWPWXOLBPR-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cn3ccnc3cc2-c2c(F)cccc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQGGXYOGAWRLT-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C3CC3)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVRLEMGZSUAFGU-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)ncc2OC(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOWDZGWNRMJGV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXMHFTHUFHLMGH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccccc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDZKJWDWLSFSR-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2c(Cl)cccc2OC(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGGKXZBVYVALOA-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)ncc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICBHWYZUGFSCQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C(F)(F)F)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENLBOLPIJDBKQ-NWDGAFQWSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDIADHIUPATLGW-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OC2COC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUVPABAENXEFFU-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2c(OC)cnc(C)c2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTKFSRORKGECL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(OC3COC3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IULLBOMQIGVWSE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Br)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPECLDUQLFZJNH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(CO)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJRQXFNELYSRKL-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2c[n+]([O-])c(C)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDVISYRFSMRLE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)ccc2CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXKKKVDOBHEQB-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc3[nH]ncc3cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NINROQTUDGGLRP-SNVBAGLBSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc([C@@H](C)O)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NINROQTUDGGLRP-JTQLQIEISA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc([C@H](C)O)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAJSRPUFYHMOAX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C(F)F)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPQBQNTDZTZBC-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc3[nH]cnc3cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PELMWHJDFSLGCX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)ncc2CO)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRJHQXPQRLQIPB-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(N)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTATKPWNYRJRS-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC2CCOC2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDVZMMYXHXDHTH-IAQYHMDHSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCO[C@@H]2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDVZMMYXHXDHTH-XHDPSFHLSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCO[C@H]2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUBKAWRCDMKJRT-UHFFFAOYSA-N", "SMILES:COCCOc1nnc(NC(=O)c2ccncc2-c2ccccc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOXIXKOTIIRJE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2c(OC)cnc(Cl)c2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWNLCYJVHYWGKX-SNVBAGLBSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWNLCYJVHYWGKX-JTQLQIEISA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYOTAOCMQQXID-SNVBAGLBSA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@@H]3CCOC3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYOTAOCMQQXID-JTQLQIEISA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@H]3CCOC3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUZZSGMEFHIDKE-LLVKDONJSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKQCPWZLXLJDSM-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccn3nnnc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTKDLXGCSJTIDM-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccnc3nccn23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKVZZROFJTWMNV-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccnc3ncnn23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDVZMMYXHXDHTH-NHYWBVRUSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCO[C@H]2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDVZMMYXHXDHTH-ABAIWWIYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCO[C@@H]2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEAGMTDUICHJNI-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccnc(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HETVQMNPICCRFQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONHXGBGAZNDEA-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZHFYLBXECALDH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cn3c(C)ncc3cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYRRZLPSLFFGE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc3cn[nH]c3cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IROWFEODUHKUDX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3nscc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJFYWLWXIVZDQB-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2c[nH]nc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTACXQTYYNOBQ-KGLIPLIRSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H]2O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTACXQTYYNOBQ-ZIAGYGMSSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CC[C@H]2O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKDMORSWLGMLN-GFCCVEGCSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2COC3(CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLTACXQTYYNOBQ-KBPBESRZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H]2O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUZZSGMEFHIDKE-NSHDSACASA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMLWMSFRIBVJQT-OKILXGFUSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](OC)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMLWMSFRIBVJQT-HDJSIYSDSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](OC)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABFJCBVJYZFDGR-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnn3c2OCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAPKQQMTSJXKW-CQSZACIVSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2COCC2(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAPKQQMTSJXKW-AWEZNQCLSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2COCC2(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBMMESABGNYLM-AOOOYVTPSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLYVDAVPZSHMF-LBPRGKRZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2COC(C)(C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLYVDAVPZSHMF-GFCCVEGCSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2COC(C)(C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNDOOIPUFVODZ-TXEJJXNPSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@@H](OC)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNDOOIPUFVODZ-HAQNSBGRSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@H](OC)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHHJOTLUWINHSR-CQSZACIVSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C2CCCC2)ncc1C(=O)Nc1nnc(O[C@@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWSWYTZAZRICIT-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CC3(COC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBRJRUIGFWRBT-INIZCTEOSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC23COC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBRJRUIGFWRBT-MRXNPFEDSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC23COC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAHDMEANGJBWSR-FQEVSTJZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@]2(C)CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAHDMEANGJBWSR-HXUWFJFHSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@]2(C)CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEISNJBSSRHKN-MRAWUWRDSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@](C)(O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEISNJBSSRHKN-NHPVSCMHSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@](C)(O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBHIGYWYUQKEI-GFCCVEGCSA-N", "SMILES:COCc1cc(-c2cc(Cl)ncc2OC)c(C(=O)Nc2nnc(O[C@@H]3CCOC3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDUPOQSGGBCMAB-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C3CCCC3)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDAKMHIUBMPIM-KGLIPLIRSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@@H](OC)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDAKMHIUBMPIM-UONOGXRCSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@H](OC)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDAKMHIUBMPIM-KBPBESRZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@H](OC)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDAKMHIUBMPIM-ZIAGYGMSSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@@H](OC)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVONBKAAGVHMX-STQMWFEESA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](OC)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVONBKAAGVHMX-OLZOCXBDSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](OC)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMPAYAYFZLEBFX-XYPYZODXSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@H](OC)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDZVUMBUMWCFL-BETUJISGSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](OC)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDZVUMBUMWCFL-JOCQHMNTSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](OC)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOLAZXYDFDJDV-NEPJUHHUSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOLAZXYDFDJDV-NWDGAFQWSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOLAZXYDFDJDV-RYUDHWBXSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOLAZXYDFDJDV-VXGBXAGGSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXBNMFPPYNVJJ-UHFFFAOYSA-N", "SMILES:COCc1cc(-c2cc(Cl)ncc2OC)c(C(=O)Nc2nnc(OC)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRAUIXCPPGVNT-OLZOCXBDSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRAUIXCPPGVNT-QWHCGFSZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRAUIXCPPGVNT-STQMWFEESA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRAUIXCPPGVNT-CHWSQXEVSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKPGISRZCOSIH-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCCC2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDIJHNXXFBPTDH-GWCFXTLKSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCO[C@H]2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDIJHNXXFBPTDH-MFKMUULPSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCO[C@@H]2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDIJHNXXFBPTDH-ZWNOBZJWSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCO[C@@H]2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDIJHNXXFBPTDH-GXFFZTMASA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCO[C@H]2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSKFKHHDZSIGR-HDJSIYSDSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](CO)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSKFKHHDZSIGR-OKILXGFUSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](CO)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPADPWXORWKQU-MNOVXSKESA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTTSHOLPAGRQQM-LMRGUYSOSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@](C)(O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTTSHOLPAGRQQM-ZCNVGUKTSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@](C)(O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEUFBIFHKKWEZ-RWXRFDSASA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@]3(CCCO3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEUFBIFHKKWEZ-AOVWKMQPSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@]3(CCCO3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWCMMXVSFSOMH-GASCZTMLSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](C(C)(C)O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDOKXXGMFCWEBY-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CC(C)(O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQWDICZXSFGEP-WHEQGISXSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@@](C)(O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQWDICZXSFGEP-XMHCIUCPSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@](C)(O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQWDICZXSFGEP-DMZKTXOQSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@](C)(O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQWDICZXSFGEP-MCMMXHMISA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@@](C)(O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXHUDCOOILVNQ-CVEARBPZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@@H](O)C2(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBXHUDCOOILVNQ-HOTGVXAUSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@H](O)C2(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKGMTXYDFSSMI-GPCKLQJOSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@]3(CCO3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKGMTXYDFSSMI-RJSOSXLCSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@]3(CCO3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWCMMXVSFSOMH-SHTZXODSSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](C(C)(C)O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQYRVDFBOVHGA-UHFFFAOYSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2COC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJXCJEQFWHPMHW-NEPJUHHUSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CO[C@H](C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJXCJEQFWHPMHW-RYUDHWBXSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CO[C@@H](C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJXCJEQFWHPMHW-NWDGAFQWSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CO[C@@H](C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJXCJEQFWHPMHW-VXGBXAGGSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CO[C@H](C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDEGOHRADJRLTM-GFCCVEGCSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(OC2CC2)ncc1C(=O)Nc1nnc(O[C@@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVYQXBJFXSZFJV-JOCQHMNTSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISFGJEZFMDRAGP-SNVBAGLBSA-N", "SMILES:Cc1cc(-c2cc(Br)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@@H]3CCOC3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDASRWRFUNIJH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(OC3CC3)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPADPWXORWKQU-QWRGUYRKSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPADPWXORWKQU-GHMZBOCLSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYBONQINWLNML-RBSFLKMASA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H]([C@@H](C)O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYBONQINWLNML-KKUMJFAQSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H]([C@H](C)O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJKIEIMPNROAPC-SNVBAGLBSA-N", "SMILES:COc1cnc(Br)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYKUZUITYPHVCG-HDJSIYSDSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWZPEIYBYYUHD-HAQNSBGRSA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@H]3CC[C@H](O)CC3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUKAZYTWHXTSNL-UHFFFAOYSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OC2COC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRUHJCHZMWCTCC-HAQNSBGRSA-N", "SMILES:Cc1cc(-c2cc(Br)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@H]3CC[C@H](O)CC3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVNQCBRXRSHJSG-GFCCVEGCSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAAGBBJRUCPPCN-ZDUSSCGKSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2COC3(CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAAGBBJRUCPPCN-CYBMUJFWSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2COC3(CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMVAWULELZYHTM-NSHDSACASA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2COC3(CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMVAWULELZYHTM-LLVKDONJSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2COC3(CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAKXBSSOLLWNA-HAQNSBGRSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYBONQINWLNML-KFWWJZLASA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H]([C@@H](C)O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYBONQINWLNML-SOUVJXGZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H]([C@H](C)O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKMGPHZQLZYUKJ-CQSZACIVSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(COC2CC2)ncc1C(=O)Nc1nnc(O[C@@H]2CCOC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNZZKFPMABBPX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(COC3CC3)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOODKCZAIKJEAK-XZJROXQQSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@@H]3CC[C@H]2O3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOODKCZAIKJEAK-XFBWCDHKSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2C[C@H]3CC[C@@H]2O3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZCSQZGSYPUXNO-GDLCADMTSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@@H]3CC[C@H]2O3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZCSQZGSYPUXNO-DDTOSNHZSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2C[C@H]3CC[C@@H]2O3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXFGSUEVFQGFZ-LMRGUYSOSA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@H]3CC[C@@](C)(O)CC3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMFSOVPVNJDBLM-GPCKLQJOSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@](C)(O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVACBMQSEZTEFV-NHPVSCMHSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@](C)(O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXXFGSUEVFQGFZ-ZCNVGUKTSA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@H]3CC[C@](C)(O)CC3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMFSOVPVNJDBLM-RJSOSXLCSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@](C)(O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVACBMQSEZTEFV-MRAWUWRDSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@](C)(O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIAPJDLCRRJSFT-LBPRGKRZSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2COC3(CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIAPJDLCRRJSFT-GFCCVEGCSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2COC3(CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKDMORSWLGMLN-LBPRGKRZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2COC3(CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRNPXCJFLRCPGT-AWEZNQCLSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2COC3(CCCC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRNPXCJFLRCPGT-CQSZACIVSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2COC3(CCCC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJGOMNNOWHYVBQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)c([S+](C)[O-])cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZAUWQQHXFPCRW-NSHDSACASA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@@H]3COC4(CC4)C3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZAUWQQHXFPCRW-LLVKDONJSA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@H]3COC4(CC4)C3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAMXFFBJSAFZRT-KGLIPLIRSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVFNFMAWZCXQJP-AETAKHFUSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKCAQRWRODGNMT-BURFUSLBSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O[N+](=O)[O-])s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNQITCWQLOMJK-QWHCGFSZSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWLYZTUAPYKOD-UHFFFAOYSA-N", "SMILES:COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CC=CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMRXVLMPXKYSQ-UHFFFAOYSA-N", "SMILES:COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC(C)COCC(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAWKPBKUGKKAGN-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2nnc(OC)s2)c(-c2cc(Cl)ncc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCWXCRBMQOKVIC-SLSDUTBNSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CO[C@H]3OCC[C@H]32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNQITCWQLOMJK-OLZOCXBDSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZSIXMCNPWJWFC-BETUJISGSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](CO)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTQLMMSNKOFTB-PMACEKPBSA-N", "SMILES:COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2COC[C@@H]2OC(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQMWYUTDGVAMD-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCCN(C3CCOC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMLXEBDVIKBOQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2ccc(C#N)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSOXXXBKELMKBU-UHFFFAOYSA-N", "SMILES:COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2COCC2NCC2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKQNCKOLDBANN-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCCN(C3COC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFMQSPYMLRGSU-VXGBXAGGSA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@@H]3CCC[C@@H](O)C3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFMQSPYMLRGSU-NWDGAFQWSA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@@H]3CCC[C@H](O)C3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFMQSPYMLRGSU-NEPJUHHUSA-N", "SMILES:Cc1cc(-c2cc(Cl)ncc2OC(F)F)c(C(=O)Nc2nnc(O[C@H]3CCC[C@@H](O)C3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUIGWRQRRLFHJ-WRFANHODSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2C[C@@H]3C[C@H]2C[C@H]3O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAMXFFBJSAFZRT-UONOGXRCSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAMXFFBJSAFZRT-KBPBESRZSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIQDFYUKHCUJK-GASCZTMLSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](CO)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKUZFMVKNZOSFB-UHFFFAOYSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCCN(C)CC(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAVCFZZGFCZRTK-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2ccncc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZGLAHENQRMMK-DZGCQCFKSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2C[C@H](F)CN(C3COC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUIGWRQRRLFHJ-OMNBBPDLSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@H]3C[C@@H]2C[C@@H]3O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDPPJWLMDNXZKT-WQFAYQGZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CO[C@H]3OCC[C@H]32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFJTPXOKXJBBH-IYVPYFHTSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2C[C@@H]3C[C@H]2C[C@H]3O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQMWYUTDGVAMD-HZPDHXFCSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCCN([C@@H]3CCOC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIHTWFMZRNFYQG-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cc(OC(F)F)ncc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVYTWMNLCWAQY-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2ccc(F)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXLFSOIYKNDWOD-QWHCGFSZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2C[C@H](F)CN(C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSLXKQWWHAMACU-OKILXGFUSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@H](CO)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFJTPXOKXJBBH-UDVXPWBQSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2C[C@H]3C[C@@H]2C[C@@H]3O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGHOGAFYGAMHI-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)Nc2nnc(OC)s2)c(-c2cc(Cl)ncc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNQITCWQLOMJK-STQMWFEESA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCC[C@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHRUWRZGMOBCW-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)c(S(C)(=O)=O)cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHDXHZNFRSDCTJ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cc(OC(C)C)ncc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAMXFFBJSAFZRT-ZIAGYGMSSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQMWYUTDGVAMD-JKSUJKDBSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCCN([C@H]3CCOC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFRBWNJZMBZRU-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)Nc2nnc(OC)s2)c(-c2cc(Cl)ncc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJGOMNNOWHYVBQ-LJAQVGFWSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)c([S@+](C)[O-])cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUJIDABHXICPE-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCN(CC(F)(F)F)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFNYKUYMGJFUAS-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2ccc(C)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTCCAAURKYMSX-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCN(C3COC3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMNUPNLBNFMPA-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C(F)F)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUAOJYQZWMCZFE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cc(F)c(C)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCILNLCTGWBJV-LSDHHAIUSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2C[C@H](F)CN(C(C)C)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNQITCWQLOMJK-CHWSQXEVSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CCC[C@@H](O)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIAFRIFCXURUIZ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cc(-c3cc(Cl)ncc3OC)ncc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJVIGCKORWEIZ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2ccc(N)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDQSYUXONQZDEF-AWEZNQCLSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OC2([C@H]3CCOC3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBJJTJOIUTGMZ-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2(C3CCOC3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITARNVBPTSSCMG-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2ccnc(C#N)c2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJYLVUVCRUAZNQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cc(C#N)ncc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRFNJAMKJDCBL-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2ccccc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCXTCFPTHUBGA-JTSKRJEESA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@@]23CCOC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDQSYUXONQZDEF-CQSZACIVSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OC2([C@@H]3CCOC3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLVWXFIWMOKBN-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2nnc(C)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCXTCFPTHUBGA-VGSWGCGISA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CC[C@@]23CCOC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCXTCFPTHUBGA-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCC23CCOC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBJJTJOIUTGMZ-ZDUSSCGKSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2([C@H]3CCOC3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJGOMNNOWHYVBQ-GDLZYMKVSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)c([S@@+](C)[O-])cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBJJTJOIUTGMZ-CYBMUJFWSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2([C@@H]3CCOC3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTVREQAJGOWPSO-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRLHUBMKDRLFU-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cc(OC)c(C)cc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWSSWCZGVKCDGX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cc(CC#N)ncc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSPIBBGEZKSDL-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(P(C)(C)=O)cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCWXCRBMQOKVIC-BXJCWQANSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CO[C@H]3OCC[C@H]32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDPPJWLMDNXZKT-YARKZXGKSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@@H]2CO[C@H]3OCC[C@H]32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTJNRVYFGMAGPI-SFHVURJKSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CN3CCC2CC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDLSBKCTPJLMSC-LJAQVGFWSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)c([S@+](C)[O-])cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDLSBKCTPJLMSC-GDLZYMKVSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)c([S@@+](C)[O-])cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQMWYUTDGVAMD-CVEARBPZSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CCCN([C@@H]3CCOC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGKBNADEXMMSGJ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cc(N(C)C)ncc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACCVBGCMUHPTIS-PMERELPUSA-N", "SMILES:CC[S@+]([O-])c1cc(OC)c(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACCVBGCMUHPTIS-SSEXGKCCSA-N", "SMILES:CC[S@@+]([O-])c1cc(OC)c(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIQDFYUKHCUJK-SHTZXODSSA-N", "SMILES:COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](CO)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSLXKQWWHAMACU-HDJSIYSDSA-N", "SMILES:COc1cnc(Br)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](CO)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZSIXMCNPWJWFC-JOCQHMNTSA-N", "SMILES:COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(O[C@H]2CC[C@H](CO)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXZVHGSWHADPN-UHFFFAOYSA-N", "SMILES:COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCCN(C)CC(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQSWJCJVUWIGLQ-HKBQPEDESA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)c([S@@+]([O-])C3CC3)cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUASLLHMSQSKIS-GDLZYMKVSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Br)c([S@@+](C)[O-])cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBVTWZPNNZZRQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)cc3c2OCCN3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQSWJCJVUWIGLQ-WJOKGBTCSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Cl)c([S@+]([O-])C3CC3)cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUASLLHMSQSKIS-LJAQVGFWSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(Br)c([S@+](C)[O-])cc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJAMYDJFQWCKOW-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cc(N3CCC3)ncc2-c2cc(Cl)ncc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYXNSQXOMZSJQ-UHFFFAOYSA-N", "SMILES:COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC(CC(N)=O)C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKISKZRGYLVKM-UHFFFAOYSA-N", "SMILES:COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nnc(O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIGGQQMSZYECI-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(C(=O)O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTGURXXLPJVIU-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C#N)cc(OC(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBEPPMOYSQNGHK-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWFDQGBWGLTAOL-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(F)c(OC)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECXXIYHCWELTB-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccnc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCBBUJAOWSXEE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(c2)C(=O)NC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5397860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICMZRTCSBPPBTR-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPHRUPYVWSSFU-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cncc(C#N)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5393900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZADNKNCSOYQQW-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc3[nH]ncc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5401170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAKINJCKWARUIO-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(C(=O)N(C)C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQHSKNJIQZJGI-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(F)cc(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHYGKHLQZSVSR-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3cn[nH]c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYMWKSPKRZKQX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cncc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVSYFIZEUDPTPD-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cncc(C(N)=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYACTMTVIJHVHA-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3nccnc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBNDVJZWYGBQN-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc(C(F)(F)F)c(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5396995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUHXZOJQCSLFEU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQKMRWJBXGVNQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(C(=O)NC3CC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGYQLPAPALOFI-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(OC)c(C#N)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIOAWFKFWLFAQI-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(c2)NC(=O)CO3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMWKIBBJHOJGLS-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(c2)CC(=O)N3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYPYJHCPNEHBZ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(c2)OC(F)(F)O3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOYDPMNLNDUCW-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C3CC3)nn2C2CCCCO2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZCDLCKNWICEP-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccn(C)c(=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANMHXLRRPXZGA-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3[nH]ccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNJFSZLECEHCG-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C(N)=O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYYJMMOVAPMAPN-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(F)c(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEJZMLQVUNUFCZ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C(F)(F)F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOXPSIPKSATXMO-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C(C)(C)C)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APSCGQUOTYCAKC-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc3[nH]ncc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTMXQAVJAHSTH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)cc(C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLIQFRLPXIUBEW-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQUDSWXKPOALSB-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccs2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMOYSQUZVDVRX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYFKRBQHMIGJP-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc(N)c(C#N)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUCWQLZCNBTSO-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3ccccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNTXYNJBNFLFV-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc[nH]c(=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USAHTHAFMUWAHG-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C#N)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBYHRTDXNFKQPP-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C(=O)O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJEAMJAAPDWSEK-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc3ccoc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVKHOKOZXJVEF-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGIARXLNAYEMGH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C(=O)N(C)C)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTCXGDMGTPWHJJ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(-c3ccccc3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGCGINCJJQSOII-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(S(C)(=O)=O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVACOOKPEIHMLL-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc3cnccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMQNSGAYQKWFQR-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(OC(F)(F)F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJGIHAHNQULOX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOEHOWYNWXADHZ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(S(N)(=O)=O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOEIGMFCPAYSIB-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(c2)CNC3=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZAJMFYTCKPFV-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(c2)CCO3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQROYHHAJNVMJF-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C)c(C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWXJXKGRXNVSW-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(S(=O)(=O)N(C)C)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGSSBIGCFKXPO-UHFFFAOYSA-N", "SMILES:CCc1cccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLLTFPFOYOIBZ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWZHSRAEIMMIPP-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(S(N)(=O)=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTQPRIAVWVLVJB-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C)cc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTYVHKSSUWUALT-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(NS(C)(=O)=O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTPJXOVMZJJTKU-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccsc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBKQKGRFWBJNJV-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccccc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTMHFRYTGWZOOC-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccoc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSOCCEWBIDPRJO-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccco2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOIFEXDGOCFIT-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccccc2C(C)C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYHJOMCODBSJDR-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc3ccccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLMSXEXKVQQSDH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnn3c2CCCC3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEODMNZULNSZMC-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(S(=O)(=O)N(C)C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOYGXLSIWOEMDV-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(S(C)(=O)=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTELMRFVRRXDPX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc3ccccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOOHQFVDULSWBS-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc3[nH]ccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAQHMJYIAYOTTG-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(NS(C)(=O)=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPGEABFSATCSE-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1cccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5414428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQZCOBOICZCBY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKOPWIMEAQCPIT-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cncc(C(=O)NC3CC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZSHOSXVIOTEAT-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccnc(C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWOZCWBXEQTNFY-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)cc(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBHNWUHDKNMFS-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccncc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPHBWSZKPCWIIF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIQXKJHZKFMLNE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(OC(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFPRKRFQSAPKCE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(c2)OCO3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTAGYUYOPSLTPA-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(CN(C)C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNQZRSQHJXFIW-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(OC)c2C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWCLJNSLDPKDS-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(N(C)C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFXIPAUBRQKTI-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc(C#N)cc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHKLDXUODXYNH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(C)c2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMLYCBJBSKNGLD-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(N3CCOCC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFPGJAMHFDCEQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(c2)COC3=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOCQQHNGEWGQLF-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3cn(C)nc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBJICBORYUUMI-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(c2)OCCN3C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYYTUFWVWWIBY-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(OC)c(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBORWZIHPXGCKX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)nn2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQVDBIDSKDHDKX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNPARONYDOIGP-UHFFFAOYSA-N", "SMILES:COc1cc(C)cc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5441080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXLVZYVYPJAMH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc3sccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKWHZCDGZRFAX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc(C(F)(F)F)cc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5407471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJRXTBKOAWUDFK-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2csc3cnccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMPNESCJMSUKSJ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc(N3CCOCC3)nc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBGUWTKLDCHWSD-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(F)cc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKALCGGSADKNG-UHFFFAOYSA-N", "SMILES:COCCOc1cccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5405617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZAANLDISFXHI-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(F)c2C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXWCYVDOLJFGNN-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(F)cnc2OC)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBWNOQLRKUZMJH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(c2)CCN(C)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEMUFFBCXAHPNM-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C#N)nc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOFGAKZQPXKRCF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWEBDMUGXMFFFK-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2coc3ccccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQFGNUUDMAQDT-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C#N)nc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKJWAHRMMMBGA-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3occc(=O)c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNHAVDZUCBJAH-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(F)cc(C#N)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCLOORTYHMFNHB-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnnc(C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTKEFWVUUGCEE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cscc2C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5439197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OODIYWKSLKCZPR-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc(C#N)nc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXDHTUGNDUYYLZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIIVZHUUBRBQR-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(OC)c2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLCZICWTLVWKJ-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5404414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFMZHHUBONCMY-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(OC(F)F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANHCIDYAAYLMQO-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3c(cnn3C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZZFHHYVRWRRRG-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(F)c(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJRGZQXCXCTGKV-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cn[nH]c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLAIFYMQSHQISP-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5406843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWEXXDUJAYYNDX-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(-c3ccn(C)n3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5409334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCSZGDYUNPIMS-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccccc2C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGNIXROCVJJFJ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(S(C)(=O)=O)nc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5411133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZPWJAWUUNPSBU-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnn(-c3ccccc3)c2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIBODXOUWKJKPA-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C)nc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYGVORXINPMEMV-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc(N(C)C)nc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPUHTYLMATCLJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNCOUUFMPHSAQI-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnn(-c3ccccc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMIYHLORPQBKJ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccnc2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBSINYTLGGZBE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UECIFMSWKASKIJ-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5424254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUEQWPNTEUQPLT-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cn(C)c3ccccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5416042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPZLQTZJIXXBZ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(C(=O)O)c(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXBHZTFKXXATHK-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(OCC#N)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5427915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMPTPCXPODSCL-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccnc(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRIHFBZBOAFWPQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnn(Cc3ccccc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSAAOGKTRRPGIE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(C)nc(C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEQHVJSCWCCWPO-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3ncncc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5431501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBKFXXOIUVQRE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cncc(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5417813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGIXUVRFAKEKRU-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(CC(N)=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOUJWIXXJPKANQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(OC(C)C)c(C#N)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMVIARUNBFIRSS-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(CN(C)C)nc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRUFLFVKWQMSF-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(F)c(F)c2C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWHYZUEBPOIGJ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc(N3CCCCC3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNOMWCOSQUJQQ-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(CC#N)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5423669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKGCYVGLHGKGLY-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(N3CCCCC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5399878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDJVPQRBLXKIML-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5402774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRBOQJVBQJUYMG-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3ccn(C)c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5394356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCQROHIBQVKSY-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cnccc2C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5398105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJUKSSMFJQTFA-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc3c2ccn3C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMYCXIJOJSSOP-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cncc(C(=O)N(C)C)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFPBCJNDXPRCS-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMRNYJOCCEKOO-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc3ncccc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBUWKMKSVPELFF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5429722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZQOEOHPZAPUHE-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3[nH]ncc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJBPPGCYWUROBC-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(C(N)=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJWHMJORZBOHW-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc3nn(C)cc23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYDQWWTGMIPDC-UHFFFAOYSA-N", "SMILES:COc1nnc(NC(=O)c2cnc(C)cc2-c2ccc3nc[nH]c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLBLNMUONVVVPG-UHFFFAOYSA-N", "SMILES:OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1235246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVAUUPRFYPCOCA-AREMUKBSSA-N", "SMILES:CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2062257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHBYNSSDLTCRG-UHFFFAOYSA-N", "SMILES:Brc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)C(O)C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL43383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUGCHZRMKTPMU-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1334465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTARFZSNUAGHRB-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL360648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNHHKZYKYNBEI-NDEPHWFRSA-N", "SMILES:Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDGLVOYAQNQPE-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1cccc(OCC(=O)O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL143210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJVMOGKBEVRBPP-ZETCQYMHSA-N", "SMILES:N[C@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL180465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXODIUKWAVUFGF-INIZCTEOSA-N", "SMILES:COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4750757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGVLSOWJSUUYDE-RSAXXLAASA-N", "SMILES:Cl.O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTLKLBSIFQKNT-UHFFFAOYSA-N", "SMILES:Cc1c(C2=CCN(C(=O)N(C)C(C)C)CC2)nnn1-c1cccnc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCMHOSYCWRRHTG-UHFFFAOYSA-N", "SMILES:COc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL15766", "category": ["biolink:ChemicalEntity"], "name": "LY-255283", "xref": ["InChIKey:WCGXJPFHTHQNJL-UHFFFAOYSA-N", "SMILES:CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUINDDOUWHRIPW-UHFFFAOYSA-N", "SMILES:COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2391908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCFHOVIXCJPLE-LINSIKMZSA-N", "SMILES:C[C@H](NC[C@H](O)CP(=O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL321820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSTVFDAKLDMYCR-NDEPHWFRSA-N", "SMILES:Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C"], "chembl_natural_product": true}
{"name": "N-formyl peptide receptor 3", "xref": ["CHEMBL.TARGET:CHEMBL5646"], "id": "UniProtKB:P25089", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2261346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRFLWCZMTGTUEP-UHFFFAOYSA-N", "SMILES:Br.CS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4760718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAGOSAKAAICKNK-UHFFFAOYSA-N", "SMILES:Cl.O=c1c2cccn2c2ccccc2n1CCCN1CCC(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4784835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLLICRFEVEWOZ-UHFFFAOYSA-L", "SMILES:O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)[O-])cc3ccccc23)c1O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5724556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKZITNMVZCTKEZ-IAQYHMDHSA-N", "SMILES:Cc1cc(C(=O)N2CC[C@@H](C)[C@H](c3cc(C(F)F)nc4ncnn34)C2)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4112323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOVSNSDMRJVTMR-JOCHJYFZSA-N", "SMILES:CC(C)(O)CNC(=O)N1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)[C@H]1c1ccc(C#N)cc1"]}
{"name": "Elastase, neutrophil expressed", "xref": ["CHEMBL.TARGET:CHEMBL5465181"], "id": "UniProtKB:A0A3L7HHY4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10029"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3920271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOVSNSDMRJVTMR-QFIPXVFZSA-N", "SMILES:CC(C)(O)CNC(=O)N1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)[C@@H]1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMJSGGZULFVCZ-XMMPIXPASA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1"]}
{"name": "Neuropeptide Y receptor type 1", "xref": ["CHEMBL.TARGET:CHEMBL2587"], "id": "UniProtKB:P21555", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5465171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNCBKSDCCIOPT-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CCN(C(=O)CCCCCN5CCC(c6ccc(Oc7nn8cnnc8c8c7CCCC8)cc6)CC5)CC4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTFQFPZKDYMMMJ-RIAKQDHQSA-N", "SMILES:Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(OC[C@H]4CN(CCCCCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc5ccc(-c6scnc6C)cc5)C(C)(C)C)CCO4)c4cn[nH]c4n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5484666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOYQWXVCXBRWFP-UHFFFAOYSA-N", "SMILES:COC1C(O)=CC(=O)OC1(CCc1ccco1)CCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5488273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHMUGNJTAWNBF-UHFFFAOYSA-N", "SMILES:COC(=O)c1nc(Cl)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5496375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDRFYIMGSXCFJK-XOHWUJONSA-N", "SMILES:C/C(=C/c1ccc(/C=C(/C)[N+](=O)[O-])cc1)[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5492631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUGENFOROFPQP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc(S)n(C2CCCCC2)c1C(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5484004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCYGFGYLSQAOI-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cc2c(c(OC(C)=O)n1)C(C)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5494554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLZPNPXIOBUKF-UHFFFAOYSA-N", "SMILES:COc1ccc(C2N(N3C(=O)CC(=O)NC3=O)C(=O)CS2(=O)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5489244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLVXRNOGAEIDW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N2C(=O)CC(=O)N(NC(=O)CCSc3nnc(-c4ccc(Cl)cc4)s3)C2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5493237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGDGBMXDKZEVTF-WMWQKROPSA-N", "SMILES:O=C1NC(=S)S/C1=C/C=C/c1ccc([N+](=O)[O-])o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5485658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWWFCPZKUNFPEF-UHFFFAOYSA-N", "SMILES:Cc1cccnc1NS(=O)(=O)c1ccc(C#Cc2cc(C(=O)O)c3oc(-c4ccc(S(=O)(=O)Nc5ncccc5C)cc4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5495755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSDKVSJVUPJVEV-UHFFFAOYSA-N", "SMILES:CC(C)(N)C(=O)N1CC(C(=O)NCCN(Cc2ccccc2)S(C)(=O)=O)C(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5496711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJYLMNCLXWIVPI-UHFFFAOYSA-N", "SMILES:CC(=O)OC1CCn2c1nc1cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1500995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBZRJODKRCREW-UHFFFAOYSA-N", "SMILES:COc1cccc(N)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5488600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVFYURJEJULSK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCNc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5485365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHPSDXHQLPFYDI-UHFFFAOYSA-N", "SMILES:COc1ccc(N)cc1OCCn1ccnc(N2CCNCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILJDAFPFCCVDKU-UHFFFAOYSA-N", "SMILES:NCC1OCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5495279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNAKBGVLXHCDLP-YFHOEESVSA-N", "SMILES:CCOc1ccc(/C=C2\\SC(=O)NC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5493686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFNVTDVDHJLYCI-UHFFFAOYSA-N", "SMILES:NCC1CCN(c2cc(C(F)(F)F)c3scc(C(=O)NCc4cccc(F)c4F)c3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5494146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDDRHSDWRLWDM-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccc(N3CCN(c4ccncc4)CC3)nc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5485412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMONVJSSWMUMKU-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cn2ccnc2c(N2CCCC2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5489550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDWZOKCCGAGCZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2nccnc2NCCc2ccncc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5492834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLFIUCLMNZSGU-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-c1cn2ccnc2c(NCc2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5492162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQTPADSALHYRRS-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2cn3ccnc3c(NCc3ccccn3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5489114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKQBMQEMMCQBA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccnc2NCCCN2CCCC2=O)cc(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5487039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVGQIEXWINLSRX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cccc(N3CCN(CCN4CCCC4)CC3)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5488099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSSIKHOKWXKTL-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cncc(N3CCN(c4ccccc4C#N)CC3)n2)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5484634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMYURNPPACVQO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nccnc2NCC(c2cccnc2)N(C)C)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5489274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVRLXWAMXZFVMG-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cn2ccnc2c(NCCc2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5491487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLYWEJYEZKOSM-UHFFFAOYSA-N", "SMILES:Clc1ccccc1-c1nccnc1NCCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5494198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGFFLSKGYXEHY-UHFFFAOYSA-N", "SMILES:OCCCNc1nccnc1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5494819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKJMJOIRNYOJPF-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccsc1NS(=O)(=O)c1cc(Cl)sc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASHRJCZMUCMKFY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccsc1NS(=O)(=O)c1cc(F)c(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1623519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AELCINSCMGFISI-IENPIDJESA-N", "SMILES:NC1C[C@H]1c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL123693", "category": ["biolink:ChemicalEntity"], "name": "TUAMINOHEPTANE", "xref": ["InChIKey:VSRBKQFNFZQRBM-UHFFFAOYSA-N", "SMILES:CCCCCC(C)N"], "synonym": ["Tuaminoheptane", "Tuaminoheptane", "Tuaminoheptano", "NSC-1091"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1801034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGZAGADSYIYYCT-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)oc2ccc(O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3039189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPMSGMNTNDNHN-KTEXIAFXSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3040642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOKIDJSKDBPKTQ-GOSTWBGLSA-N", "SMILES:CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCCC(N)C(=O)O)C2SC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2220427", "category": ["biolink:ChemicalEntity"], "name": "ERYTHROMYCIN PROPIONATE", "xref": ["InChIKey:TYQXKHPOXXXCTP-CSLYCKPJSA-N", "SMILES:CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C"], "synonym": ["Erythromycin propionate", "Erythromycin, 2'-propionate", "Monopropionylerythromycin", "Propiocine", "Erythromycin propionate"], "chembl_natural_product": true, "chembl_availability_type": "withdrawn"}
{"id": "CHEMBL.COMPOUND:CHEMBL5498063", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1182", "category": ["biolink:ChemicalEntity"], "name": "GLYCINEBETAINE", "xref": ["InChIKey:KWIUHFFTVRNATP-UHFFFAOYSA-N", "SMILES:C[N+](C)(C)CC(=O)[O-]"], "synonym": ["2-(Trimethylammonio)Acetate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7634", "category": ["biolink:ChemicalEntity"], "name": "OXOTREMORINE", "xref": ["InChIKey:RSDOPYMFZBJHRL-UHFFFAOYSA-N", "SMILES:O=C1CCCN1CC#CCN1CCCC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2111066", "category": ["biolink:ChemicalEntity"], "name": "ISOTHIPENDYL", "xref": ["InChIKey:OQJBSDFFQWMKBQ-UHFFFAOYSA-N", "SMILES:CC(CN1c2ccccc2Sc2cccnc21)N(C)C"], "synonym": ["Isothipendyl", "Isothipendyl", "Isothipendyl", "Isotipendilo", "Actapront", "Odantol", "Udantol", "AY-56012", "D-201"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2110905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGRBVOPPLSCSI-SCZZXKLOSA-N", "SMILES:CN[C@H](C)[C@H](O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1375951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUCUKLJLRRAKFN-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5489380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNSZXMWAXYTXEM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccsc1NS(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5485620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPOOKDAIONXEQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccsc1NS(=O)(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5486941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGRRTRDFSMZDNP-ACCUITESSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccsc1NS(=O)(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5493600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCXQZQIYSZJIPN-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NS(=O)(=O)c2csc3ccnc(N4CCNCC4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5494975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDBCFBWNJWPRAL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)N(CCN)Cc2c[nH]c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDWQCSBCHYRIFZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)c1cncc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5488345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYMAEXHZNKLLTO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1c(Cl)cccc1Cl)n1ccc2c(N3CCNCC3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5498214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRHVHDQFMORCD-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5495408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOVFMDYNGMANC-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccncc1)C(CC1CCCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5487002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORKWWLJJIQLPO-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2nc(NS(C)(=O)=O)cc3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5497193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQDAUNZCUNNEDZ-UHFFFAOYSA-N", "SMILES:N#Cc1nonc1NCn1nnc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5498223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALONPGGQKBAOK-UHFFFAOYSA-N", "SMILES:O=C1N=C(NC2CC3CCC2C3)SC1Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5490314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOVVXBNIONUDD-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCN(c2nc(-c3cccc4cccnc34)cnc2N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5490274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJYPEVSKCIRRFQ-UHFFFAOYSA-N", "SMILES:CC(C)(CO)CNc1cncc(-c2ccc(O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5488910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBYTUXAOUPEBKQ-UHFFFAOYSA-N", "SMILES:OCCN1CCN(c2cncc(-c3cccc(OC(F)(F)F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5487096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNCIXIWBRJUSIH-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2cncc(-c3cccc(OC(F)(F)F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5496883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URHDLQYYFBJUKP-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5487367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSWOSQFYNRIHSN-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cn3ccnc3c(NCC3CC3)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5498261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPPSBYGYLDGMFU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(S(=O)(=O)Nc2cc(-c3ccco3)n[nH]2)c(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5487008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPSVXTLMHNUGNB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cnc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5484910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPQDPBZGTDDGSV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5492108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGKYGOLGWFYIF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cnc(NS(=O)(=O)c2ccccc2Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5490182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRSLUAUYNAPPI-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cnc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKHPGICGLIVJIM-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(S(=O)(=O)Nc3ncc([N+](=O)[O-])s3)s2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTVFSRYZRSQUPL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cnc(NS(=O)(=O)c2ccc(-c3ccon3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5490141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHCGPHASJDXAQ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cnc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5495043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTMTRZCAZCIQK-UHFFFAOYSA-N", "SMILES:CCCn1c(-c2ccccc2OC(F)(F)F)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5494607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSEIGRYYQRCFRO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(O)nnc2-c2ccc(Cl)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5498307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGWQHIMVBSDESM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ncc(-c2ccco2)cc1C(=O)NCc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWINHRSEJOYJZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ncc(-c2ccco2)cc1C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5484267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQDIPGRHRKMCIS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ncc(-c2ccco2)cc1C(=O)Nc1ccon1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5493935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIWAYPHNZBETPK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ncc(-c2ccco2)cc1C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSOTJLCOOTDGZ-UHFFFAOYSA-N", "SMILES:Nc1nc2cccnc2cc1-c1ccc2c(c1)OCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5491198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXUHRRBGTCEUHQ-UHFFFAOYSA-N", "SMILES:CCNC(=O)Nc1nc2cccnc2cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5489533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUDUSRPFXFHEG-UHFFFAOYSA-N", "SMILES:Oc1nc2cccnc2cc1-c1ccc2c(c1)OCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1619875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZMATHAVBHQGGQ-UHFFFAOYSA-N", "SMILES:CNC(C(=O)c1ccccc1)C(OC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5488319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEYYBRTSJXIIZ-UHFFFAOYSA-N", "SMILES:CNC(c1ccc(Cl)cc1)C(Oc1ccccc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5492373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKENSVYRQPCJDK-UHFFFAOYSA-N", "SMILES:CNC(C(=O)c1ccccc1)C(Oc1ccccc1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5490540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSVNZBSWGCQPTB-UHFFFAOYSA-N", "SMILES:CNC(C(=O)c1ccccc1)C(Oc1ccccc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2220640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKLMGLNVLRLNNB-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)COCCOc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5491398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAGJVRDIXJDKRY-UHFFFAOYSA-N", "SMILES:CNC(c1ccccc1)C(OC)C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL26505", "category": ["biolink:ChemicalEntity"], "name": "APROFENE", "xref": ["InChIKey:DIDYGLSKVUKRRP-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1"], "synonym": ["Aprofene", "Aprofeno", "Aprophen"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5486019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSODIAXYVRBBKJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(-c2ccc(C)cc2)nc2n(CCN3CCOCC3)c3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5492822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBUFPUJTIFHPPG-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1328169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFVZVNBDJQOMR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2nc(N(c3ccccc3)c3ccccc3)nc(-n3nc(C)cc3C)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5494738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLLPLRZNWQTAE-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5494557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZFAGSRIGPJNDX-RQZCQDPDSA-N", "SMILES:O=C(N/N=C/c1ccc(F)cc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3197729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWPBKJOFDJNJW-WSDLNYQXSA-N", "SMILES:C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\\NC(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5496901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMGKMOBGRSBUHM-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5495234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLOYYDOKDXERE-ONEGZZNKSA-N", "SMILES:C=C(C)C1Cc2cc(/C=C/C(=O)O)c(O)cc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5489354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVGWCLDYEMCYOL-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccccc2-c2nccnc2NCCc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5485414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODBBJPGTANYTE-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCc1ccc(Nc2cc(-c3cc4ccccc4s3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5486803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVYKMACFFXVSOL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ncn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5492504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNKVXLMUCLZAG-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2cc(NCCc3ccccn3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5493721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGLNEQRTYMLQA-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2cc(Nc3ccc(C4CCCCC4)cc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5489919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBUCWUQSYELLO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN1CCN(c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5497860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNTNZADOHAWYAC-UHFFFAOYSA-N", "SMILES:c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)c2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1529645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXXMVOQVYPYDOI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C1C=CCC1C(C(=O)O)N2)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL209974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKIUURDWZWFAM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)n1-c1ccc(CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5496337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTINFRHYFBXCPG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccnc(OCCc2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5493703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVTVPQZGUVAWFH-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2ccc(OC3CCNCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL152632", "category": ["biolink:ChemicalEntity"], "name": "NIRIDAZOLE", "xref": ["InChIKey:RDXLYGJSWZYTFJ-UHFFFAOYSA-N", "SMILES:O=C1NCCN1c1ncc([N+](=O)[O-])s1"], "synonym": ["Niridazole", "Niridazole", "Niridazole", "Niridazol", "Niridazolum", "BA 32644", "BA-32644", "CIBA 32644BA", "NSC-136947", "Niridazole"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5496601", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5488885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JETCWVMTMDKTOB-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5485020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETSOQJBZNOGMI-UHFFFAOYSA-N", "SMILES:CCCCN(C(=O)c1ccc(OC)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5489899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSXXWJQUGVJFY-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1cccc(NC(=O)c2csc(-c3cccs3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVIRVAOBDRJIDJ-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Cn2ncc(Br)c(Br)c2=O)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5484916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLZRGEVHESYOCI-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5495264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFFFGZNXROZRN-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(NC(=O)c3csc(-c4cccs4)n3)cc2)CC1"]}
{"name": "DNA topoisomerase 2", "xref": ["CHEMBL.TARGET:CHEMBL1741266"], "id": "UniProtKB:P41001", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5839"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCYSHGDZDHFAAR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(CSc2ccc(OC)cc2)nc2ccc(Br)cn12"]}
{"name": "Cell division protein FtsZ", "xref": ["CHEMBL.TARGET:CHEMBL6066150"], "id": "UniProtKB:A0A0H2ZNE0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:373153"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSLLICULQBJHHD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(CSc2ccc3ccccc3c2)nc2ccc(Br)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXAPBESCSQWOGD-ITGHMWBKSA-N", "SMILES:CCCCCCCO[C@H]1CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLEZUPDNHDZFKU-ITGHMWBKSA-N", "SMILES:OC[C@H]1OC[C@H](OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRDLZXZQYQUSIP-JKJDWNRSSA-N", "SMILES:OC[C@H]1OC[C@H](OCCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOOYEFHVDTUNK-IVDHNXQLSA-N", "SMILES:N#Cc1ccc(-c2ccc(O[C@H]3CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSNAOKIQYUINS-XNTOXWQXSA-N", "SMILES:N#Cc1ccc(-c2ccc(CO[C@H]3CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXIUEPMQABCLB-IVDHNXQLSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(CO[C@H]3CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLJMDDRSNFQFF-IVDHNXQLSA-N", "SMILES:OC[C@H]1OC[C@H](OCc2ccc(-c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAODARYIOSTZNF-IVDHNXQLSA-N", "SMILES:N#Cc1ccc(-c2ccc(O[C@H]3CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRJUJQKDTSKIEK-ZRSRNVLSSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(O[C@H]3CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSHYQOEMIRCAX-ZRSRNVLSSA-N", "SMILES:OC[C@H]1OC[C@H](Oc2ccc(-c3ccccc3)cc2Cl)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDKAWXTRRWIEZ-XNTOXWQXSA-N", "SMILES:N#Cc1ccc(-c2ccc(CO[C@H]3CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTWHTQBSTHLUGP-XNTOXWQXSA-N", "SMILES:N#Cc1cccc(-c2ccc(CO[C@H]3CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCMTAMISSJMNZ-IVDHNXQLSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(CO[C@H]3CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1169700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZNYNMIRSBGHQ-GFEQUFNTSA-N", "SMILES:N#Cc1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDLZIWXYDQEECE-GJGATLCTSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1170072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZBKRKVDBPBJHL-ZBRFXRBCSA-N", "SMILES:OC[C@H]1O[C@H](Oc2ccc(-c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQGFQIHQPLUNX-GFEQUFNTSA-N", "SMILES:N#Cc1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJDCMUGGJXCFU-GJGATLCTSA-N", "SMILES:NC(=O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4085991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEGOYUWRTXKVKW-ZBRFXRBCSA-N", "SMILES:OC[C@H]1O[C@H](Oc2ccc(-c3ccccc3)cc2Cl)[C@@H](O)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUPWGQBYOQOPLY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2cnnn2)cc1)N1CCCC(Nc2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBXCPGRIASFYQK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-n2cnnn2)cc1)N1CCCC(Nc2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWYKSMEXTYPRD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2cc(CO)c3ccccc32)cc1)N1CCN(c2ccc3c(c2)OCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2440271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJZUAUURQGKNK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1C(=O)O)c1ccc(-c2ccccc2)cc1"]}
{"name": "Insulin-like growth factor 2 mRNA-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066203"], "id": "UniProtKB:Q9Y6M1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPIUIWJKEDLORV-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2403166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHWNAMJHQFCTE-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOACCINYYZPMD-UHFFFAOYSA-N", "SMILES:Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)c(-n4nc5ccccc5n4)c3)c2)c(-n2nc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPMTVHZSHPLTGP-KQWNVCNZSA-N", "SMILES:COc1cc(/C=C2\\SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)ccc1OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFUNNAWGSBMBCL-UCQKPKSFSA-N", "SMILES:COc1cc(/C=C2\\SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)ccc1OCc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRJDQXWXRGGUSL-UCQKPKSFSA-N", "SMILES:COc1cccc(COc2cc(/C=C3\\SC(Nc4ccc(S(N)(=O)=O)cc4)=NC3=O)ccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPWTHUEFQLECY-BKUYFWCQSA-N", "SMILES:NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXHAVBFDSNDXKQ-UCQKPKSFSA-N", "SMILES:COc1cccc(COc2ccc(/C=C3\\SC(Nc4ccc(S(N)(=O)=O)cc4)=NC3=O)cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFUHHQMSLCUEGC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(-c4ccccc4)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQMBFELATKWXGR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(-c4ccccc4Cl)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKFYKCJBOOYSF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(-c4ccccc4C(F)(F)F)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIUPNNYQGJHSJO-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(-c4ccccc4C)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGQZVBGLKUVHY-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-n1c(=O)cc(N)c2cnc(Nc3cc4c(cc3OC)CCN(C)C4)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOBMCDQHUQREJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(-c4ccccc4OC)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDMRMSMCQOMOIC-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2c(=O)cc(N)c3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIIYOKRRNWQLA-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(=O)cc(N)c3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYGJSNSFJNRXAJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(-c4c(F)cccc4C(F)(F)F)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUPYURNQQRVDK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(-c4c(OC)cccc4OC)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPRKDWHXVSHGP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(Cc4ccccc4)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWUMRSIFUUBLNA-MRXNPFEDSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n([C@H](C)c4ccccc4)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWUMRSIFUUBLNA-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n([C@@H](C)c4ccccc4)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRLEMNRXWFXGI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(Cc4cccc(C(F)(F)F)c4)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQUUWQNDKXYUCK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(Cc4ccccc4C(F)(F)F)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVEZBGFKMFAQMR-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(=O)cc(N)c3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSVUJOJDULYVEW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(=O)cc(N)c3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRLCVLHTVPYPTI-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1c(=O)cc(N)c2cnc(Nc3cc4c(cc3OC)CCN(C)C4)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXJPQPIYNIXLKK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(Cc4ccccc4F)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPMIVBVUANZVHG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(Cc4ccccc4C)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGFXZACBHDFTEZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(Cc4ccccc4Cl)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYTYXLXFBMDDSI-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(Cc4ccccc4OC(C)C)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYLFIFRLCBPVLY-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(Cc4ccc(F)cc4C(F)(F)F)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXTVKHGMANNHE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(Cc4c(F)cccc4C(F)(F)F)c3n1)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBDJIGFNDGHZRS-HYFFOGBASA-N", "SMILES:CC[C@@H](N)c1cc(N2CCC[C@H]2C)cc2c1CN(c1cccc(-c3nnc4n3[C@@H](C)CC4)n1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIHUSVALIACHS-GDLZYMKVSA-N", "SMILES:CC(C)(O)Cn1nccc1-c1ccc2cc1N[C@H](CO)c1ccccc1OCCCCc1cc(ccc1C#N)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUKPOXQACMKOS-NRFANRHFSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cc(-c4ccccc4)c3c2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHLHNXEFUHMKI-NRFANRHFSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cc(-c4ccccc4F)c3c2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPQZJJPJILJQP-NRFANRHFSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cc(-c4cccc(F)c4)c3c2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZSVNKNCFMJKH-QFIPXVFZSA-N", "SMILES:Cc1ccccc1-c1c[nH]c2ccc(C(=O)N[C@H]3COc4ccccc4N(C)C3=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJLGIRHJBFCGQ-NRFANRHFSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cc(-c4ccccc4C(F)(F)F)c3c2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALDMJXZIXUESV-QFIPXVFZSA-N", "SMILES:COc1cccc(-c2c[nH]c3ccc(C(=O)N[C@H]4COc5ccccc5N(C)C4=O)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVSZSPRKXALDLH-MHZLTWQESA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cc(-c4ccc(-c5ccccc5)cc4)c3c2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODCWSBQZIQIXQK-FQEVSTJZSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cc(-c4cccc(F)c4F)c3c2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYEBDDNRTUKKAK-NRFANRHFSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cc(-c4ccc(F)cc4F)c3c2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTDYDRWMVOEJO-NRFANRHFSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cc(-c4cc(F)ccc4F)c3c2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDHAQNWGVXYBU-FQEVSTJZSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cc(-c4c(F)cccc4F)c3c2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRKZMEUHHFMQBC-QHCPKHFHSA-N", "SMILES:Cc1cccc(-c2c[nH]c3ccc(C(=O)N[C@H]4COc5ccccc5N(C)C4=O)cc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUGDTZEKWZRDQ-QHCPKHFHSA-N", "SMILES:Cc1ccc(-c2c[nH]c3ccc(C(=O)N[C@H]4COc5ccccc5N(C)C4=O)cc23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXCKHFLQGCBZEW-QHCPKHFHSA-N", "SMILES:Cc1ccc(C)c(-c2c[nH]c3ccc(C(=O)N[C@H]4COc5ccccc5N(C)C4=O)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYCDWFUNQWUHLI-QHCPKHFHSA-N", "SMILES:Cc1ccc(-c2c[nH]c3ccc(C(=O)N[C@H]4COc5ccccc5N(C)C4=O)cc23)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWJYMAGSNZFQSH-NRFANRHFSA-N", "SMILES:COc1ccc(-c2c[nH]c3ccc(C(=O)N[C@H]4COc5ccccc5N(C)C4=O)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEWIGOTDMRJPA-VWLOTQADSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cc(-c4cccc5ccccc45)c3c2)COc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFLADMSRYYYDHI-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccnc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USWVWJGIMDBYIM-UHFFFAOYSA-N", "SMILES:CN(C)c1ccnc(CNCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKGXBPHFSPKKRR-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccnc(CNCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGORWOTBRPUMQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(SCCNCc2cc(N(C)C)ccn2)(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDHRKZDRWFOOC-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccnc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSXYPFTZZSDMS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(SCCNCc2cc(N(C)C)ccn2)(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZXFNNWNDZSCS-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccnc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZSIZHPUAFTDQJ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccnc(CNCCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYHIGHZHFZXIFU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccnc(CNCCSC2(c3ccccc3)c3ccccc3C=Cc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYUIKYJZFRVKL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(SCCNCc3cc(N(C)C)ccn3)c3ccccc3C=Cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEXQTMQIWBXQTB-UHFFFAOYSA-N", "SMILES:CN(C)c1ccnc(CNCCSC2(c3ccccc3)c3ccccc3CCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFFNRVWPJWMBQD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(SCCNCc3cc(N(C)C)ccn3)c3ccccc3CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABWPDHJEXQQSDM-UHFFFAOYSA-N", "SMILES:CN(C)c1ccnc(CNCCSC2(c3ccc(C(F)(F)F)cc3)c3ccccc3CCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXYMNJSHSCLBB-LJQANCHMSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNC(=O)[C@H](N)Cc3ccccc3)nc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3261090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBPXTOJQWAMHDU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNC(=S)c3cccc(C(N)=O)c3)nc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFOMDNNMRUFXQZ-LBPRGKRZSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNC(=O)[C@H](C)N)nc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFSSLMBUUASHD-INIZCTEOSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNC(=O)[C@@H](N)CC(C)C)nc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFSSLMBUUASHD-MRXNPFEDSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNC(=O)[C@H](N)CC(C)C)nc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPNRKIYURKPFU-KRWDZBQOSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNC(=O)[C@@H]3CCCCN3)nc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPNRKIYURKPFU-QGZVFWFLSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNC(=O)[C@H]3CCCCN3)nc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXYMNJSHSCLBB-IBGZPJMESA-N", "SMILES:Cc1cccc(-c2[nH]c(CNC(=O)[C@@H](N)Cc3ccccc3)nc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMCPKRZJRABJT-IBGZPJMESA-N", "SMILES:Cc1cccc(-c2[nH]c(CNC(=S)[C@@H](N)Cc3ccccc3)nc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMCPKRZJRABJT-LJQANCHMSA-N", "SMILES:Cc1cccc(-c2[nH]c(CNC(=S)[C@H](N)Cc3ccccc3)nc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVMLOKBXQFATBE-NSHDSACASA-N", "SMILES:Cc1cccc(-c2nc(NC(=O)[C@H](C)N)sc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXIJBYZTPNOHMX-HNNXBMFYSA-N", "SMILES:Cc1cccc(-c2nc(NC(=O)[C@@H](N)CC(C)C)sc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXIJBYZTPNOHMX-OAHLLOKOSA-N", "SMILES:Cc1cccc(-c2nc(NC(=O)[C@H](N)CC(C)C)sc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMPCOKJFHOETEL-GOSISDBHSA-N", "SMILES:Cc1cccc(-c2nc(NC(=O)[C@H](N)Cc3ccccc3)sc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQJPZQNQQBSPB-HNNXBMFYSA-N", "SMILES:Cc1cccc(-c2nc(NC(=S)[C@@H](N)CC(C)C)sc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQJPZQNQQBSPB-OAHLLOKOSA-N", "SMILES:Cc1cccc(-c2nc(NC(=S)[C@H](N)CC(C)C)sc2-c2ccc3ncnn3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJDXGQLOUORNSC-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBBHVWQHAJNZPV-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMXFDSRLANIDMN-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIJQJTCIRDRTKM-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3ccc(C(F)(F)F)nc3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXGXOZWIJDJMRK-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRZXYGPWRHWMCO-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3cnc(C(F)(F)F)nc3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNSDIANIGRQALJ-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3ncc(C(F)(F)F)cn3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLNQLNLAPLFCLS-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(Cc3ccc(C(F)(F)F)cn3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBVXUGCXHRUFD-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYAPRFMWCWZIGH-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKUZJQFRDKNPNN-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N2CCN(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHBUGKAVFWXTSK-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3ccc(Cl)cn3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXAMMFRWCIAQIL-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3ccc(Br)cn3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDPFIUVBXDPQQD-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWSPUXLXTAVDLQ-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc(OC(C)(C)C(=O)O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJXPGGKLGIKPN-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAZFUAMESPQUPP-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3ccc(F)cn3)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWHYWFBRNNNKJ-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCN(c3ncccc3C(F)(F)F)CC2)cc(C)c1OC(C)(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDXLNXQIWYIZLN-SNVBAGLBSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(n2)CCC(=O)N3)cc1N[C@@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZFYQSKWIVMPN-SNVBAGLBSA-N", "SMILES:N#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1N[C@@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIJZFZFUKHLAEE-LLVKDONJSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1N[C@@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTMDFTTZYCDYKD-BETUJISGSA-N", "SMILES:Cn1c(=O)ccc2nc(Nc3cnc(C#N)c(N[C@H]4CC[C@@H](N)CC4)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPKYXBHNZYFDOO-GASCZTMLSA-N", "SMILES:CC(C)n1c(=O)ccc2nc(Nc3cnc(C#N)c(N[C@H]4CC[C@@H](N)CC4)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCNEJXVAHTTDA-BETUJISGSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)(F)F)n2)cc1N[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CICLXDAPQVXWIC-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHRJUYQLFVGPEY-NSHDSACASA-N", "SMILES:N#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1N[C@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FECMTZBHXJHBFF-GFCCVEGCSA-N", "SMILES:N#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1NC[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKCCPVTAPIPMF-TXEJJXNPSA-N", "SMILES:N#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1N[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKCCPVTAPIPMF-HAQNSBGRSA-N", "SMILES:N#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1N[C@H]1CC[C@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKHOXKZRCKRAH-NSHDSACASA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)(F)F)n2)cc1N[C@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRJJIRNMRMHJGE-OKILXGFUSA-N", "SMILES:CCn1c(=O)ccc2nc(Nc3cnc(C#N)c(N[C@H]4CC[C@@H](N)CC4)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYLPUDHNUAAWQB-BETUJISGSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(=O)O)n2)cc1N[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSUNTLVYMJGTQH-BETUJISGSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(N)=O)n2)cc1N[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRQWWSTAFMBFV-JOCQHMNTSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1N[C@H]1CC[C@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSRXKRWKZJWTE-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAJLHBZTXNBSNH-GFCCVEGCSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1N[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPMFBGGZHQYFKD-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1cc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKAGLOIKUXYSN-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1NCC1CCCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COUPDSMSKFCOSK-LBPRGKRZSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1NC[C@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUQGROHNKGPRZ-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1NC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZRQWWSTAFMBFV-BETUJISGSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1N[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRXIKVBQPKYQHP-GFCCVEGCSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1O[C@@H]1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJNKWWULHVEHW-CYBMUJFWSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1O[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYTLGUWXPFEWDM-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(Nc2ncc3c(ccc(=O)n3CC(F)F)n2)cc1OC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWYVUCOUCMNVBD-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccc(-c5ccccc5Cl)cc43)c21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQHXSADELAHAW-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccc(-c5ccccc5F)cc43)c21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWRMRTPWRQPUBU-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccc(-c5ccccc5C(F)(F)F)cc43)c21.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMOACNOUSWHFKA-DPGDEAKTSA-N", "SMILES:O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)OCC1c4ccccc4-c4ccccc41)[C@@H]23)Nc1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYYMUZDBUHXFON-XONQAIMGSA-N", "SMILES:O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCc1nc2cc(Cl)c(Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZRLRBIWNWBCPX-XONQAIMGSA-N", "SMILES:O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCc1nc2cc(Br)c(Br)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDAYHYMXNMILPX-FDMMPWTASA-N", "SMILES:O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCc1nc2cc(Cl)ccc2n1S(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSOMDOBOLJAHP-UCPICDLBSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCc2nc3cc(Br)ccc3n2S(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQCBHRYMNMSJI-UCPICDLBSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCc2nc3ccc(Br)cc3n2S(=O)(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRGDUNKKUXMWQA-DOGDJYSSSA-N", "SMILES:O=S(=O)(c1cccc2ccccc12)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCc1nc2cc(F)ccc2n1S(=O)(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQFZBTSVQNCWLG-NGVHDELDSA-N", "SMILES:O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)OCC1c4ccccc4-c4ccccc41)[C@@H]23)NCCCc1nc2ccc(F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQWWOLGZGZSCT-UHFFFAOYSA-N", "SMILES:CC(C)NCCCn1c2c(c3ccccc31)C(=O)NCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLRAFKZPLVZDFO-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCCCCCn2c3c(c4ccccc42)C(=O)NCCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLNKZENOVVABRA-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCCCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLYYRXDVNFLQE-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCCCN1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYLJXBCUAUFOAF-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKLZBIBPKCLHO-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGAFEUYOLJZRJL-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJSYNJYPNXUOFK-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCCCN1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHAVYMGFHMJAIA-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCCCN1CCN(Cc2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHUHOIDFUZYNAU-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCCCN1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABCIDWREYIENMI-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJXALDLSUSGAMF-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAICJDIQJHAVSP-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DISSVZACUPUDAH-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCN1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAAHAVAWTZOGMQ-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCN1CCN(c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMDPNYGTHIEEB-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCCCN1CCN(c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCCEGUBWVRNTL-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCN1CCN(Cc2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMXYHSPJCQLFS-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCCCN1CCN(Cc2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEVQKQFIHWWFE-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCN1CCN(Cc2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKNUFONURZDGJH-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCN1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJBVQCTVURXJBM-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCN1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOBCHKISJTZEW-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCCCCN1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGCVMPGXEBMMCL-UHFFFAOYSA-N", "SMILES:O=C1NCCCc2c1c1ccccc1n2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602899", "category": ["biolink:ChemicalEntity"], "name": "GANODERIC ACID A", "xref": ["InChIKey:DYOKDAQBNHPJFD-JNTBEZBXSA-N", "SMILES:C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5558795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOESTBMERALAJF-AUVMKGOUSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCc2cn(CCOCCOCCOCCNC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]3C[C@H](O)[C@@]4(C)C5=C(C(=O)C[C@]34C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H]5O)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTQCFJNKTMUJMK-FVLPPEDYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCc2cn(CCOCCOCCOCCOCCNC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]3C[C@H](O)[C@@]4(C)C5=C(C(=O)C[C@]34C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H]5O)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXVFJJVFSAYBJ-HXUWFJFHSA-N", "SMILES:COc1ccc(CCN2CCC[C@@H]2COCc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFHWVSEKJUEFQ-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1616809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKBVJQHKPASKP-UHFFFAOYSA-N", "SMILES:c1ccc(COc2ccccc2CNC23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5010428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTRDZOWIDYRQK-UHFFFAOYSA-N", "SMILES:c1ccc(C2CCC(N3CCN(Cc4ccco4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQCUCAXUFFEPLP-UHFFFAOYSA-N", "SMILES:COc1cc(Br)ccc1CN1CCN(C2CCC(c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMUILGXSBHGLJA-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCNCc2ccccc2OCc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOFHWXOTHOOJH-AFARHQOCSA-N", "SMILES:Cc1cccc([C@H]2CC[C@H](N3CCN(Cc4cccnc4)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQXWUWIQUIUSP-SZPZYZBQSA-N", "SMILES:c1ccc([C@H]2CC[C@@H](N3CCN(Cc4ccncc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFHPQIITGJXST-GRGXKFILSA-N", "SMILES:c1ccc([C@H]2CC[C@@H](N3CCN(Cc4ccccn4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGXRYRGQYWFRP-BGYRXZFFSA-N", "SMILES:O=C(CN1CCN([C@H]2CC[C@@H](c3ccccc3)CC2)CC1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHYADALJKNTRHO-GRGXKFILSA-N", "SMILES:O=C(CN1CCN([C@H]2CC[C@@H](c3ccccc3)CC2)CC1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIDYVPSKNVQIX-GRGXKFILSA-N", "SMILES:O=C(CN1CCN([C@H]2CC[C@@H](c3ccccc3)CC2)CC1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISYVLDMZHKPDF-SZPZYZBQSA-N", "SMILES:O=[N+]([O-])c1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIIYEYKPKKOYGX-SZPZYZBQSA-N", "SMILES:c1ccc([C@H]2CC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFHPQIITGJXST-AQYVVDRMSA-N", "SMILES:c1ccc([C@H]2CC[C@H](N3CCN(Cc4ccccn4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQXWUWIQUIUSP-HZCBDIJESA-N", "SMILES:c1ccc([C@H]2CC[C@H](N3CCN(Cc4ccncc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKLASWHVKBTLFT-HZCBDIJESA-N", "SMILES:c1ccc([C@H]2CC[C@H](N3CCN(Cc4cccnc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGXRYRGQYWFRP-MXVIHJGJSA-N", "SMILES:O=C(CN1CCN([C@H]2CC[C@H](c3ccccc3)CC2)CC1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFIDYVPSKNVQIX-AQYVVDRMSA-N", "SMILES:O=C(CN1CCN([C@H]2CC[C@H](c3ccccc3)CC2)CC1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SISYVLDMZHKPDF-HZCBDIJESA-N", "SMILES:O=[N+]([O-])c1ccc(CN2CCN([C@H]3CC[C@H](c4ccccc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZYMNCYVICJSV-KDURUIRLSA-N", "SMILES:COc1ccccc1[C@H]1CC[C@@H](N2CCN(c3cccnc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSKRJBXKIABYNQ-HDICACEKSA-N", "SMILES:Clc1ccccc1[C@H]1CC[C@@H](N2CCN(c3cccnc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSKRJBXKIABYNQ-IYARVYRRSA-N", "SMILES:Clc1ccccc1[C@H]1CC[C@H](N2CCN(c3cccnc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOHZUDNCHSZFZ-PKTZIBPZSA-N", "SMILES:c1ccc([C@@H]2CCC[C@H](N3CCN(Cc4cccnc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOHZUDNCHSZFZ-GOTSBHOMSA-N", "SMILES:c1ccc([C@H]2CCC[C@H](N3CCN(Cc4cccnc4)CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLOFHWXOTHOOJH-DKXQDJALSA-N", "SMILES:Cc1cccc([C@H]2CC[C@@H](N3CCN(Cc4cccnc4)CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOPBUZIEKOONKG-HUUCEWRRSA-N", "SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C=CC(C)=C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAIFOHYNLBAWDL-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(NCC(=O)N4Cc5ccc(F)cc5C4)(C3)C1)C2)OCCOCCNc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVJQCMMEJAOJIW-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(NCC(=O)N4Cc5cc(F)c(F)cc5C4)(C3)C1)C2)OCCOCCNc1ccc([N+](=O)[O-])c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFCLJELYXOZXJF-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCOCCOC(=O)NC34CC5CC(CC(NCC(=O)N6Cc7ccc(F)cc7C6)(C5)C3)C4)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUQPRCWWJPLANH-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCCOCCOC(=O)NC34CC5CC(CC(NCC(=O)N6Cc7cc(F)c(F)cc7C6)(C5)C3)C4)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHRFPSRSBZRZAM-UHFFFAOYSA-N", "SMILES:CC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)NC34CC5CC(CC(NCC(=O)N6Cc7cc(F)c(F)cc7C6)(C5)C3)C4)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MECQLAALMULTBL-UHFFFAOYSA-N", "SMILES:O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccc(F)cc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPXNOAHSCRHTEK-UHFFFAOYSA-N", "SMILES:O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCNC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccc(F)cc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUEWBYJHKZNJTH-UHFFFAOYSA-N", "SMILES:O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCNC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccc(F)cc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCBVFHDXILJJQY-UHFFFAOYSA-N", "SMILES:O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5cc(F)c(F)cc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AASNMPBNCSJNJG-UHFFFAOYSA-N", "SMILES:O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCNC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5cc(F)c(F)cc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDNKWUBLPJCPK-UHFFFAOYSA-N", "SMILES:O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCNC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5cc(F)c(F)cc5C4)(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXAUZRZNXKCFE-UHFFFAOYSA-N", "SMILES:O=C(CCCCCNC1=CC(=O)c2ccccc2C1=O)Nc1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHXYPSWRPDLKGG-YTXTXJHMSA-N", "SMILES:C/C=C/C=C/C(=O)NCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQXFZDJCLJWZLY-MEMLXQNLSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CCCC(F)(F)C(F)(F)F)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCKASLZCSRQAS-MEMLXQNLSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CCCF)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRXPHFARFBMQJC-WGSAOQKQSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CF)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEJSQDBSPFIQPN-MXVIHJGJSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCN(CCCF)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XACQPTSYYMCBNT-QAQDUYKDSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CC(CF)C4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIEHTJSRTWVUSK-AQYVVDRMSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(N5CCC(F)(F)CC5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSCLRQELCGADG-XUTJKUGGSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(N5CCC(F)(F)C5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDCNJSVTLALHX-HDJSIYSDSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3cccnn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSDCLLPMDWYDL-QVYRIUEQSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CN5CCN(CCCCCF)CC5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXUOOSSWYKIDQ-NZLVZKABSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc(NC7CN(CCCF)C7)cc6)CC5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEJQCTSMNQMUBY-SOAUALDESA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CC5CN(CCCC(F)(F)C(F)(F)F)C5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSOVURNYFNXBO-OZIXAUCHSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(Cc5ccc(NC6CN(CCCF)C6)cc5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNZKAQQEVOZMJP-WXUXXXNLSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(Cc5ccc(NCCCCCF)cc5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQQTZHFXSLWIAA-FBSWEULCSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(Oc5ccc(NCCCCCF)cc5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQJSZDHCKCJNTE-DIVCQZSQSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CN5CCN(CCCC(F)(F)C(F)(F)F)CC5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGSPGJGOSBLDOR-SOAUALDESA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CC5CN(CCCF)C5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQAAODKOGQWSET-ALOJWSFFSA-N", "SMILES:N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CNC5CN(CCCF)C5)CC4)nn3)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFMVJCIZUOTOGP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3cc(N4CCN(C)CC4)c(C#Cc4ccccc4F)cc3[nH]2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL107225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUBJZPZEKVWOC-XFFZJAGNSA-N", "SMILES:O=C1Nc2ccc(C(=O)O)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKMPVIMEDFHYGO-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(C(=O)O)cc2C1=Cc1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQVOIUDBLHJUPJ-TWGQIWQCSA-N", "SMILES:O=C1Nc2ccc(C(=O)O)cc2/C1=C/c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDJPEJUSQAQFV-UVTDQMKNSA-N", "SMILES:CCCC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADLBZXZAUNROD-QPEQYQDCSA-N", "SMILES:CCCC(=O)c1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZTKVPOPAPWGEK-XFXZXTDPSA-N", "SMILES:CCCC(=O)c1ccc2c(c1)/C(=C/c1ncc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHJOOSJFVMIZHS-ATVHPVEESA-N", "SMILES:O=C1Nc2ccc(C(=O)c3ccccc3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHTRFHWULKVANV-SXGWCWSVSA-N", "SMILES:O=C1Nc2ccc(C(=O)c3ccccc3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAFGNKLTOVVRON-BOPFTXTBSA-N", "SMILES:O=C1Nc2ccc(C(=O)c3ccc(F)cc3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVZOPZDLKKFMBZ-PXNMLYILSA-N", "SMILES:O=C1Nc2ccc(C(=O)c3ccc(F)cc3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKYRYPOTSOGLAY-UVTDQMKNSA-N", "SMILES:O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBPTXOKOQSLHZ-XFXZXTDPSA-N", "SMILES:O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWXGHJWZSVTGFV-ZSOIEALJSA-N", "SMILES:CC(C)Oc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRFMWHPWBLOLT-ACAGNQJTSA-N", "SMILES:CC(C)Oc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFMSUDXEHLBXRK-WQLSENKSSA-N", "SMILES:CC(C)Oc1ccc2c(c1)/C(=C/c1ncc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASQQECGBHUBPPX-ZROIWOOFSA-N", "SMILES:CCCC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDPYULNGXDTNW-YBEGLDIGSA-N", "SMILES:CCC(CC)C(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSQZMQKFFESRI-NVNXTCNLSA-N", "SMILES:CCC(CC)C(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYKUEQIXBBIJL-UVTDQMKNSA-N", "SMILES:CCC(CC)C(=O)Nc1ccc2c(c1)/C(=C/c1ncc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOUGGNQEMLRMS-BOPFTXTBSA-N", "SMILES:O=C1Nc2ccc(NC(=O)C3CCCCC3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNLXGIHLGMABH-SXGWCWSVSA-N", "SMILES:O=C1Nc2ccc(NC(=O)C3CCCCC3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVYIIVKRFKROP-PTNGSMBKSA-N", "SMILES:O=C1Nc2ccc(NC(=O)C3CCCCC3)cc2/C1=C/c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTKMGHDUJEUEK-BOPFTXTBSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccccc3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMPWKXVKRPZPF-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccccc3)cc2C1=Cc1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCWDOVZTACPHN-PTNGSMBKSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccccc3)cc2/C1=C/c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYAXZUNFWEZJF-ZROIWOOFSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccco3)cc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCOSZSZJSEQPS-XFXZXTDPSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccco3)cc2/C1=C/c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRVBXQRTVZHLQG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2ccc3c(c2)C(=Cc2cnc[nH]2)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFMYWBBOXNLOB-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)Nc2ccc3c(c2)C(=Cc2cnc[nH]2)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUWGRRZOQQHITR-YBEGLDIGSA-N", "SMILES:N#Cc1cccc(C(=O)Nc2ccc3c(c2)/C(=C/c2ncc[nH]2)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJHRRJVMMQZDT-YBEGLDIGSA-N", "SMILES:N#Cc1ccccc1C(=O)Nc1ccc2c(c1)/C(=C/c1ncc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVLMVUXNXBTFF-MFOYZWKCSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTJVOMMSQFAGDI-WJDWOHSUSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc3c(c2)/C(=C/c2ncc[nH]2)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWMFUYVZULEMTE-MFOYZWKCSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMNNOFYLAXQQI-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc3c(c2)C(=Cc2ncc[nH]2)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNIOTFQBQGLNBX-SXGWCWSVSA-N", "SMILES:COc1ccccc1C(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHVOOQRALQLFX-PTNGSMBKSA-N", "SMILES:COc1ccccc1C(=O)Nc1ccc2c(c1)/C(=C/c1ncc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOCGRZCWLGPCF-PXNMLYILSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccc(F)cc3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFFNYVERDMEJU-GDNBJRDFSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccc(F)cc3)cc2/C1=C/c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGVARROKLUDHJB-PXNMLYILSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3cccc(F)c3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRYNNNYBMXRRF-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3cccc(F)c3)cc2C1=Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBJNCJHNHSXVBF-UVTDQMKNSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccccc3F)cc2/C1=C/c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZGEHMODHLSOC-PXNMLYILSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRPMPLAQBSZVFD-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1=Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COIMXAMKGFRYML-NVNXTCNLSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHZCSGQVSMNLCK-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2C1=Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDDZFYZJRPQBK-QPEQYQDCSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3cccs3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATWPATIHUDGDIT-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3cccs3)cc2C1=Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYRHBQMYDZIQSB-RZNTYIFUSA-N", "SMILES:COc1csc(C(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOUNMKSGFCSHE-UHFFFAOYSA-N", "SMILES:CCOc1csc(C(=O)Nc2ccc3c(c2)C(=Cc2cnc[nH]2)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHIHRRBEEJSNEX-ACAGNQJTSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3cc(F)cs3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNASEKBIBWZPNN-MLPAPPSSSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3cc4sccc4s3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYLWCGKWNVVOF-AUWJEWJLSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSZKJDABWGEZPC-CHHVJCJISA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3cccc4c3OCO4)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHVFBYIAYSHGSP-SDQBBNPISA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3nccs3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKPVSBXNUZHNAN-SDQBBNPISA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ncco3)cc2/C1=C/c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTXIAXSAFHFPW-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccns3)cc2C1=Cc1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJSILGLKCJVAQ-YBEGLDIGSA-N", "SMILES:Cc1nc[nH]c1/C=C1\\C(=O)Nc2ccc(NC(=O)c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNDABYNUUPXGA-WJDWOHSUSA-N", "SMILES:O=C1Nc2ccc(NC(=O)c3ccccc3)cc2/C1=C/c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIYWMVCNROVGKS-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(NC(=O)c3cc4sccc4s3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL232349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUKBQTLXNISBTR-GHXNOFRVSA-N", "SMILES:COc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKBFQVYBXBZPQ-WDZFZDKYSA-N", "SMILES:COc1ccc2c(c1)/C(=C/c1ccn[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSQOMVMDEZLPES-YFHOEESVSA-N", "SMILES:COc1ccc2c(c1)/C(=C/c1ncc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEEGZPWAAPPXRB-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C1=Cc1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDQQAKBXJFUJU-YFHOEESVSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVQCEOUTMUKWRM-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C1=Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBDVHFVASYNVMS-GHXNOFRVSA-N", "SMILES:COc1ccc2c(c1)NC(=O)/C2=C\\c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RICIJTLANFOVFB-YFHOEESVSA-N", "SMILES:COc1ccc2c(c1)NC(=O)/C2=C\\c1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHDAMCSJCRWSK-KMKOMSMNSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/c1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5483744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKUHDKKUXWCNNT-WDZFZDKYSA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFHCGCAJCDJPBE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=Cc1ncc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLBLAPVADCGGS-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCYNJNSORIPVKX-JYRVWZFOSA-N", "SMILES:CC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXNFLDLAWZATIK-ZSOIEALJSA-N", "SMILES:CC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)cc1C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYUCBBSPTMMCJS-GHXNOFRVSA-N", "SMILES:CC(=O)c1ccc2c(c1)/C(=C/c1ccn[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVAOPSNPZHKFNU-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)C(=Cc1ncc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURJJJOXRQHYSU-JYRVWZFOSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBKQDPIMPQLLI-XGICHPGQSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYLZDADFWNKJD-WJDWOHSUSA-N", "SMILES:CN1CCN(S(=O)(=O)c2ccc3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL597345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELBBKNYMNPRMZ-JYRVWZFOSA-N", "SMILES:COc1ccc2c(c1)/C(=C/c1[nH]c(C)cc1C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUQUIXXZJGALN-JYRVWZFOSA-N", "SMILES:COc1ccc2c(c1)NC(=O)/C2=C\\c1[nH]c(C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCXMMBGMWCWFKN-SDQBBNPISA-N", "SMILES:COc1cc2c(cc1OC)/C(=C/c1[nH]c(C)cc1C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAQJTIYUGIXEI-NVNXTCNLSA-N", "SMILES:CN1CCN(S(=O)(=O)c2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTNPALGJUAXMMC-HKJBKDEOSA-N", "SMILES:Cc1[nH]c(/C=C2/C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13608", "category": ["biolink:ChemicalEntity"], "name": "TOCERANIB", "xref": ["InChIKey:SRSGVKWWVXWSJT-ATVHPVEESA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1"], "synonym": ["Toceranib", "Palladia", "PHA-291639", "Toceranib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUMZEVCWKZXFV-LCLDVOFVSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\OCCC(O)CO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5558636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECZNHBHHKOBMC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)n2ncc3ccc(Br)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFPVGRWWHVDGW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)n2ccc3cc(Cl)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZBYDTNTHFIYML-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)n2ccc3c(Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOWZZTGJSHARID-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)n2ncc3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUMCQFQTVIIPAW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)n2ccc3cc(Br)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKEGHFXOJUHWGF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2ccc3ccc(Br)cc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTUFDWZVYPHDSZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2ncc3ccc(Br)cc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXTSMKPJYLJENY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2ccc3c(Cl)ccnc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJWYRFYNBUUNMD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2ccc3cc(Br)cnc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXBXBZKCNJEIRO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2ncc3ccncc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUZLJISSHBHXIF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2cnc3ccc(Cl)nc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLBNRICVVSTPAU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2ccc3ncnc(Cl)c32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAGAJLBPFOEQPM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2ccc3c(Cl)ncnc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYNZDFXTZHHFU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2cnc3c(Cl)ncnc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXUOYUSJIUJHO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2cnc3cnc(Cl)nc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHASKJKRUOFBR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2nnc3c(C(=O)OC)cccc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPJHJWIOASAOJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2nnc3c(C(=O)NCC(F)F)cccc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQGHKNSFBSZFJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cn2nnc3c(C(=O)NCC4CC(F)(F)C4)cccc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZQIDLWMPZESRJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Cn2cnc3c(Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEPJQQWAOPNNQ-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)Nc1ccc(Cn2cnc3c(Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSNRKRKVKSAOL-UHFFFAOYSA-N", "SMILES:CC(C)=CC(=O)Nc1ccc(Cn2cnc3c(Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWKKKYKEHLRWPW-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(Cn2cnc3c(Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKNAGMDCQZDMX-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(Cn2cnc3c(Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWRCHUPGWMCPME-UHFFFAOYSA-N", "SMILES:CC(Cl)C(=O)Nc1ccc(Cn2cnc3c(Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVBIBDGDUFYRME-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc(Cn2cnc3c(Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXKALWYYLPSYSO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cn2cnc3c(Cl)ncnc32)cc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQVGBIOCZBGDY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Cn2cnc3c(-c4cccs4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDXAOMKSAWATD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Cn2cnc3c(-c4ccccc4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRMYRJLJMOMOEN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Cn2cnc3c(-c4ccc(F)c(F)c4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDYYKFWGYGBXLY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Cn2cnc3c(-c4cc(OC)cc(OC)c4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWRIGODGUPSDSL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Cn2cnc3c(-c4cc5ccccc5s4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNOTZRLHOVNCJM-GXDHUFHOSA-N", "SMILES:NS(=O)(=O)c1ccc(/N=C2\\NC(=O)/C(=C\\c3ccccc3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADYFWLZXYMNQZ-XNTDXEJSSA-N", "SMILES:COc1ccc(/C=C2/S/C(=N/c3ccc(S(N)(=O)=O)cc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSODXWAHMBJBB-NTEUORMPSA-N", "SMILES:NS(=O)(=O)c1ccc(/N=C2\\NC(=O)/C(=C\\c3ccc(Cl)cc3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCMKIXLKJMLJX-NTEUORMPSA-N", "SMILES:NS(=O)(=O)c1ccc(/N=C2\\NC(=O)/C(=C\\c3ccc(F)cc3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLIAVHUKOUDZDN-FFAYTRQJSA-N", "SMILES:CN1C(=O)/C(=C\\c2ccccc2)S/C1=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSHEANFGGGKBV-YYUDZJCFSA-N", "SMILES:COc1ccc(/C=C2/S/C(=N/c3ccc(S(N)(=O)=O)cc3)N(C)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHMYXMRWDSBLQY-NLYZGASSSA-N", "SMILES:CN1C(=O)/C(=C\\c2ccc(Cl)cc2)S/C1=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URQWXPADGFSHHA-NLYZGASSSA-N", "SMILES:CN1C(=O)/C(=C\\c2ccc(F)cc2)S/C1=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLPDRZAOQZZZHK-UIJPVKIYSA-N", "SMILES:CCN1C(=O)/C(=C\\c2ccccc2)S/C1=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLGVBJFVVZBNHG-HWWZFDGNSA-N", "SMILES:CCN1C(=O)/C(=C\\c2ccc(OC)cc2)S/C1=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNLBQOPCMVARX-FGVWYHQHSA-N", "SMILES:CCN1C(=O)/C(=C\\c2ccc(Cl)cc2)S/C1=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBLSPCSUDHAGB-FGVWYHQHSA-N", "SMILES:CCN1C(=O)/C(=C\\c2ccc(F)cc2)S/C1=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJXAJVVIKYUSC-BUHFOSPRSA-N", "SMILES:NS(=O)(=O)c1ccc(/N=C2\\NC(=O)/C(=C3\\C(=O)Nc4ccccc43)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPHZWHPEXBVMH-APFPQQRPSA-N", "SMILES:CN1C(=O)/C(=C2\\C(=O)Nc3ccccc32)S/C1=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGAIYXGHRMVAQ-MCRDVGPXSA-N", "SMILES:CCN1C(=O)/C(=C2\\C(=O)Nc3ccccc32)S/C1=N/c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDYSETYMAUYRV-VCHYOVAHSA-N", "SMILES:Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/N=C3/NC(=O)CS3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUICFCMKQXGSJG-YWEYNIOJSA-N", "SMILES:O=C1N/C(=N\\c2nccs2)S/C1=C\\c1cc(C(F)(F)F)c2scnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IADBQRIAMJLYHH-FUNKXNGNSA-N", "SMILES:Cc1ccc(N2C(=O)CS/C2=N\\N=C(\\CSc2nc3ccccc3[nH]2)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSYRBSCMFVDHQG-UHFFFAOYSA-N", "SMILES:O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1Cc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2315734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYNCHTCEHSEIOR-YFHOEESVSA-N", "SMILES:O=C1N/C(=N\\c2nccs2)S/C1=C\\c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWMVDSTIUWVEM-VLGSPTGOSA-N", "SMILES:NS(=O)(=O)c1ccc(N2C(=O)CS/C2=N\\C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQNFTLWFHLMMFV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccc3s2)cc1OCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBMRYQYWWZZIA-CNONHITESA-N", "SMILES:CC(C)(C)OC(=O)CCC(=O)Nc1nc2c(s1)C[C@]1(C)[C@H]3C[C@@H](O)[C@@H]4C([C@]5(C)CC[C@@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIQCVLJKJIPCSE-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHWPUDTUIZEHDW-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc([N+](=O)[O-])cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWPNVHLZGFSQQ-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1cc(Br)cc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMOPXBFESXXIBU-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKNRMPMCKDQJQ-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHCNTIVEXPAPD-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVMTCMWMCPGJY-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDIIOKMAQAQRQY-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTBYABTJXGAHX-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGEZQVUFQPULDF-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNCIMGUXYMBATA-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGFQVMBODQAPR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYRDAWYSLVTERM-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZZXYZCYJVTAO-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZAMLGLUTJCGOD-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEZLPUSBDAMTMG-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRSAAMPSUYITFF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNNYXKZYAUWGQX-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXPPFJWCYWVAFA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CC=C(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPPSUWPMANIGOA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1cccc(NC(=O)N2CC=C(c3ncnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPWDXJBRBPFJX-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4ccccc4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQISIHBBJLDQW-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(F)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQGYBZFTFHGTMC-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(Cl)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRPWNGPEAYOCMK-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(Br)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDQTUWBKEDTMHG-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)N2CC=C(c3ncnc4[nH]cc(C)c34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOSKGVORWORZSZ-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(OC(F)(F)F)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXRREYHNWSZHB-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJHZIAEDRPGFZ-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(N(C)C)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCRMZPOKZZIXKE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(NC(=O)N2CC=C(c3ncnc4[nH]cc(C)c34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXDDCFQKKVAILE-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHODYLJJKBMZHZ-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMEJQLWHSGYTKS-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(C#N)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFYUOSYOZDRMJV-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWXYLQKPBCVJY-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccnc4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORROLMSJZIAVQD-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4ccsc4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXDVQXKUXBTEPR-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4ccc5ccccc5c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIASVIHRSPCQKW-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(-c5ccccc5)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBHBDFZDUADJS-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(-c5ccncc5)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTYXTLGOFIVLMP-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(-n5cccc5)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHDNUKFNBPWKLI-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(-n5ccnc5)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXCDKGYSPSCCF-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cccc(NC(=O)N2CC=C(c3ncnc4[nH]cc(C)c34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVBPFYLCBVTAE-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cccc(NC(=O)N3CC=C(c4ncnc5[nH]cc(C)c45)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDJOHHPXPWKDPJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(NC(=O)N3CC=C(c4ncnc5[nH]cc(C)c45)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDNMXWIZDRKKBP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1CC=C(c2ncnc3[nH]cc(C4CC4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNNVMXDYOSEDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)N1CC=C(c2ncnc3[nH]cc(C4CC4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJMBFYJGZCNCLS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CC=C(c2ncnc3[nH]cc(C4CC4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQALTEQUTRQRQK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)N1CC=C(c2ncnc3[nH]cc(C4CC4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWRYMUFITYHURU-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1cccc(NC(=O)N2CC=C(c3ncnc4[nH]cc(C5CC5)c34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRXXFWDYWJRFN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccccc2)c1)N1CC=C(c2ncnc3[nH]cc(C4CC4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYYHCXZWRDDPPO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-n2cccc2)c1)N1CC=C(c2ncnc3[nH]cc(C4CC4)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNWWENPLWXLLTK-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cccc(NC(=O)N2CC=C(c3ncnc4[nH]cc(C5CC5)c34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEVYGJZIWQEHME-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cccc(NC(=O)N3CC=C(c4ncnc5[nH]cc(C6CC6)c45)CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMJPRHBWAWSAE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(NC(=O)N3CC=C(c4ncnc5[nH]cc(C6CC6)c45)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLSVQOIIIVLATL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)N1CC=C(c2ncnc3[nH]cc(Cl)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXBDAXIRGAZGHU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)N1CC=C(c2ncnc3[nH]cc(Cl)c23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYAQAZJEMHUOS-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1cccc(NC(=O)N2CC=C(c3ncnc4[nH]cc(Cl)c34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNEHYTCMZPYCOP-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ncnc(C3=CCN(C(=O)Nc4ccccc4)CC3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJJLNGGZSQITE-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)N2CC=C(c3ncnc4[nH]c(C)c(C)c34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWSCHTFTQUFXQK-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(Br)c4)CC3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNEDTUFSYUEAFZ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYKZUHVJQBUTEZ-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ncnc(C3=CCN(C(=O)Nc4cccc(-c5ccccc5)c4)CC3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJLGGRFJWDFWQM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(NC(=O)N3CC=C(c4ncnc5[nH]c(C)c(C)c45)CC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYNFMDANOGBHJS-UHFFFAOYSA-N", "SMILES:CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(-c4cccc(NC(=O)N5CC=C(c6ncnc7[nH]cc(C)c67)CC5)c4)c3)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCTHJVXIVITONM-UHFFFAOYSA-N", "SMILES:CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(-c4cccc(NC(=O)N5CC=C(c6ncnc7[nH]cc(C8CC8)c67)CC5)c4)c3)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFVBIIGZRZTMC-UHFFFAOYSA-N", "SMILES:CNC(=O)Cc1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(Nc3ccccc3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIHWOKGTWVJGMD-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2ncnc(C3CCN(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2021342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTNYGQPCMXVAQ-KIYNQFGBSA-N", "SMILES:Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5531992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUTHUMGFKPEVCC-UHFFFAOYSA-N", "SMILES:Cc1ccncc1CNC(=O)N1CC2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJLIPCZIYAMTOV-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCc1cn(C2CCOC2)nn1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXSIXMJHKAJOD-GJZGRUSLSA-N", "SMILES:O=C1c2c(O)cc(O)cc2O[C@@H](c2cc(O)c(O)c(O)c2)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL455364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKFRRCKZWJXBW-GPRNFGOXSA-N", "SMILES:O=c1c2cc(O)c(O)cc2oc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5558704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLBAPHVEQSKNE-UHFFFAOYSA-N", "SMILES:CC(=O)NCC#Cc1ccc(C(=O)NCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVNKOMWFJGDQL-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Oc2ccc(CNC(CO)(CO)CO)c(Br)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEUKRMRRBGGIPY-UHFFFAOYSA-N", "SMILES:Cc1cc(OC(=O)c2cccc(-c3ccccc3)c2C)ccc1CNC(CO)(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDVQOUFDFPIKLM-QHCPKHFHSA-N", "SMILES:Cc1cc(OC(=O)c2cccc(-c3ccccc3)c2C)ccc1CN[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDXVTQPYHIYCNV-JOMNFKBKSA-N", "SMILES:Cc1c(C(=O)Oc2ccc(CN3C[C@H](O)C[C@H]3C(=O)O)c(OCc3cccc(C#N)c3)c2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBOYJODMIAUJHH-SANMLTNESA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN1CCCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVBCICFIFVKVCO-UHFFFAOYSA-N", "SMILES:O=c1c2ccc(-c3ccoc3)cc2ccn1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARRKBFHDLUZYPT-UHFFFAOYSA-N", "SMILES:CCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYIMLUTUZCDPJX-UHFFFAOYSA-N", "SMILES:CCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGDXRFMUFQUIQB-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGBORXYWBWJDT-UHFFFAOYSA-N", "SMILES:CCCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBCUCAXPFRSMC-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQUYBBQZGCMIID-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUJXEVNLOWFQMB-UHFFFAOYSA-N", "SMILES:CC(C)CCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWIMPBOMTTVJLF-UHFFFAOYSA-N", "SMILES:C=CCn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALNGDMVYZUDQSD-UHFFFAOYSA-N", "SMILES:CC(C)=Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSWIXZDUIQVEW-UHFFFAOYSA-N", "SMILES:CC#Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBNTOSKHQJUPY-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C2CCC2)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOYCTTWTEVEOOM-UHFFFAOYSA-N", "SMILES:N#Cc1cn(C2CCCC2)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJNCTQOADHQENT-UHFFFAOYSA-N", "SMILES:N#Cc1cn(CC2CCCC2)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCXNFSJZZHSQD-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccccc2)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQJSXCBJLHBBI-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccc(F)cc2)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMZMZNDNIVHSX-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccc(Cl)cc2)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQAWOHXUGBVBRC-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccc(Br)cc2)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPSEPNZWJJAQN-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccccc2Cl)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXXBTJJHILAMCG-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2cccc(Cl)c2)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLGMHRGFSJXJKK-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2ccccc2F)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHXCNBDUCGAGN-UHFFFAOYSA-N", "SMILES:N#Cc1cn(Cc2cccc(F)c2)c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNZZNVCBDKSSRD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1cc(C#N)c2cc(-c3cc(C(=O)O)no3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STJZNQQPJWEBCZ-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2ccc(-c3cc(C(=O)O)no3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIUDFTNJMGSWCJ-VMMLISQSSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCNC(=O)/C=C/c1cccnc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOCKWBJNBUYYAL-SZIFGRNDSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCNC(=O)/C=C/c1cccnc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUXWZPVOQCZHSP-UJZCAVEWSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCNC(=O)/C=C/c1cccnc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNSDRXUSICBNIN-BULTVDLSSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCNC(=O)/C=C/c1cccnc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIKRIGQVWBXZCR-ZOYLIWTNSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCNC(=O)/C=C/c1cccnc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIOPJGZAGWLDNJ-DIPILFDCSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCNC(=O)/C=C/c1cccnc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USNBTXLPADLVFT-NBHGYFDZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCNC(=O)/C=C/c1cccnc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDNHUXIKUJNFIO-KDZJVGDTSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(NC(=O)/C=C/c3cccnc3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXVOGIKLDMWLTF-NBHGYFDZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(CNC(=O)/C=C/c3cccnc3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFYVCZRWYUUBRH-UAXHHORHSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(CCNC(=O)/C=C/c3cccnc3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPFOHPMLFUDPSL-ISXPZDICSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(CCCNC(=O)/C=C/c3cccnc3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGBFYTVTJIZIOQ-HYGYTNKZSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1ccc(NC(=O)/C=C/c3cccnc3)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHSJKJXDFMOJU-MEQIQYKBSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1ccc(CNC(=O)/C=C/c3cccnc3)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERMWAJRKUVHNA-QHCPKHFHSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCNC(=O)c1cc3cnccc3[nH]1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANSMASOMRJYFY-DEOSSOPVSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCNC(=O)c1cc3cnccc3[nH]1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRNFZNHLRPDET-VWLOTQADSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCNC(=O)c1cc3cnccc3[nH]1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEEOECFSSLHUJR-SANMLTNESA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCNC(=O)c1cc3cnccc3[nH]1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZOZVQZXYYKRSX-DEOSSOPVSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCNC(=O)c1cc3cnccc3[nH]1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSZJHIMMCJWDW-SANMLTNESA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCNC(=O)c1cc3cnccc3[nH]1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDQRDBUPLHFYBU-MHZLTWQESA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(CCNC(=O)c3cc4cnccc4[nH]3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPYBEXBONKOXPF-NDEPHWFRSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1ccc(CNC(=O)c3cc4cnccc4[nH]3)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISGQPSDURLFFIO-OHTHEKBTSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCC(CCCCNC(=O)/C=C/c3cccnc3)CC1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWWOQEWLNDWJLG-ODVZWJMOSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(NC(=O)/C=C/c3cccnc3)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYLYHYHISZAXAN-IRQHZKEJSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(CCNC(=O)/C=C/c3cccnc3)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLXIIMACLSCFH-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWPIESWYFSAYJL-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYOHNWYBLFAJGG-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNANLHXVMDRPFB-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(c4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYILJMSXZIONRM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(c4ccccn4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCAZWKJIRZTXCJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFZGPLTSLSJJQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL236487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJOTWAJZHISRRW-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(Cc4ccc(F)cc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMFODIWZQCHZNP-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(Cc4ccc(C)cc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULBUABJAUQKQMH-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDYXQNYYHTUGW-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(C(C)=O)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROGMIJFMHAXKM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(c4ccc(C)cc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAHFSQXZKPTMCH-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(c4ccc(Br)cc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDUJWLKSDCTDOJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCN(c4ccccc4[N+](=O)[O-])CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRJEPHXVKXXKZ-UHFFFAOYSA-N", "SMILES:CC1c2cc(Oc3ccccc3)ccc2N=C(N)N1CCCC(=O)N(Cc1ccnn1C)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1430084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATVSLHMOONKQS-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPLIAXFJOVTEMF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2nnc(NC3CCN(Cc4ccccc4)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNMKWBZTWICKJM-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCCCn3ccnc3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXZAALKAGKQDHT-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCCCN3CCOCC3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNDSPVKXRQYALC-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCCCN3CCCC3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLYWAWVVZOALM-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCCC(=O)N3CCOCC3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFVUNQSVSYLBF-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCCCN3CCN(C(=O)OC(C)(C)C)CC3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYJMCMWAQSFFIA-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMNIREGYRCDGKE-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NC(C)c3ccccc3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSAZWTHPPBAXTR-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)Nc3cccc(N4CCN(C)CC4)c3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIUCJSWGQVRCJ-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCZZHJORCPOVQW-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCCN3CCOCC3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDJCNYRWURBSJ-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCc3ccccc3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOHDYOAMIVALJP-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCc3ccc(F)cc3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWWESTXIIWKOU-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)Nc3ccccc3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPGIAYKEZNFWOD-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVENUARFAIDWCK-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCCN3CCCC3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCYNJLXFKTFPF-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCCCCO)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUPQAXQCCPDKEU-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)N3CCSCC3)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJMGCKTAWRPGT-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCCn3ccnc3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSHVZWUFLJRIGL-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCCN3CCOCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPIDHABKHIILRF-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCCN3CCCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRRFXNKTSPXULA-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)Nc3cccc(N4CCN(C)CC4)c3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAHMVLFREHGEDA-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCCN3CCCCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQAVTIUQJFEDI-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCc3ccccc3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICICMBCFVQBKO-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NC(C)c3ccccc3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAOUJMDZUUXEHQ-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCc3ccc(F)cc3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQFCUWXLOSRHW-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NC(C)c3ccc(F)cc3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHWMVMDSWVDFE-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NC(c3ccccc3)c3ccccc3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLWVBGWXLHYISO-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCCc3ccccc3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSFZIVORUXWEEI-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZLLWHINDRIUMM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1NC(=O)c1cc2c(s1)C(=O)c1c(C)noc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFKPFARJXQOWAY-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1NC(=O)c1cc2c(s1)C(=O)c1c(C)noc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYHLKTVQJPHBO-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCN3CCOCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWGENFRLQBSCL-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCCN3CCN(C)CC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYSOZTNIICCWIU-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCN3CCCCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRRVAGQSPFDNH-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCCCO)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMDWQCMQWNPQK-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNNSGLYXNVUAS-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCN3CCCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBTZRXGOPXEAJ-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NC3CCN(C)CC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGUZAWFVAJXKOY-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NC3CC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVSFAFUSPQSQZ-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCC3CC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDTYXYVYIMFUIN-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)N3CCSCC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUOEECTJSCNEX-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)N3CCN(CCO)CC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJNUSIUBHVIGBO-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)N3CCN(C)CC3)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDFQEZHLCJILET-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1CCN(C(=O)c2cc3c(s2)C(=O)c2c(C)noc2C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLULQRODLBZBKE-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1oc(C(=O)NCCO)c(C)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLWUZJSOFUJFG-UHFFFAOYSA-N", "SMILES:Cc1noc2c1C(=O)c1sc(C(=O)NCCO)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4565305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDINNMXEKZJEKS-OVMOOWNWSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCCC(=O)N[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKTFCERIBQWXDG-SCEMTZTASA-N", "SMILES:CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H]2CC[C@]3(C)[C@H]4C[C@@H](O)[C@@H]5[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXNQDRNNLSXTPW-RYVPHQGWSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTNZLDZLKZALR-FXSKREIISA-N", "SMILES:CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](NC(=O)[C@@H]5CCCCN5)C(C)(C)[C@@H]4CC[C@]23C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXASIFWJDPMLCJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTEOYFJNSHSOMN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPSPBMOUVPZMA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIJPAOFITQRQRX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIXTWYREMSLNAR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULOXBBTPNYZOU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZNILVHSBKCQT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYQMIGLDJCPLEV-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTBOTZCDGKNGGC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMZBKYWRAGQUMF-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNPBFKFVHWCUPF-UHFFFAOYSA-N", "SMILES:CCCc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZPDVQHVJHHXAR-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEKEXVLLIYBFK-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRSZKZLWHLKHPE-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUHRBLZTPKQXAV-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKMMYEVMTJLJDA-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGWKARZOCJDOSQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQKHUSPXPNBFQV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUUCIOYBZTCHN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFSUOMQYKJCBRI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVSWUGVIVUSGFU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVJOWYOYDNZWFT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKBPADNSBPYRV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAUXJCQUVHIPEY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCYJHFAUIZYLPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKWTLLFNLCPBY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQUJIJNMFYDXFM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSLOLRCTBRIDHZ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1Cl)Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTVASBHCJHKFDL-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)cc1)Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SABIDVKHCJFOET-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHOPKBWRRIZJM-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOZRFDAUSXADE-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWZEDCTDAVZIV-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQVFIXUVWIABPG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQYKAZCMQPUOMW-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTQDSMZXSNIIX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHGRPTHDVOZVFH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLVOOJWAOUHBY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWFCTTXXFZMOY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRPNFQXOODJOD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(Oc2nc(-c3cnn(C)c3)cn3nccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURFNXYSZMLLDZ-CYBMUJFWSA-N", "SMILES:C=CC(=O)N1CC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFXYLGFAPGBQBC-CQSZACIVSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWAGOPAZDUZUSQ-OAHLLOKOSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKZVBLHKFOJZEU-YOEHRIQHSA-N", "SMILES:C=CC(=O)N1CC[C@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)[C@@H](F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGYYTOJFABDWPG-WMLDXEAASA-N", "SMILES:C=CC(=O)N1CCC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)[C@@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERKKWPCLAUPDA-VNQPRFMTSA-N", "SMILES:C=CC(=O)N1C[C@H]2C[C@@H](Oc3nc(-c4cnn(C)c4)cn4nccc34)C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQANDHIXHHTJSS-DXCKQFNASA-N", "SMILES:C=CC(=O)N1C[C@@H]2C[C@@H](Oc3nc(-c4cnn(C)c4)cn4nccc34)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QARNVRFWIILYHB-XYPHTWIQSA-N", "SMILES:C=CC(=O)N1CC[C@H]2[C@@H](Oc3nc(-c4cnn(C)c4)cn4nccc34)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUNXTOGXWFWUHT-FICVDOATSA-N", "SMILES:C=CC(=O)N1C[C@@H]2[C@@H](COc3nc(-c4cnn(C)c4)cn4nccc34)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXYFWCMODABLP-IYBDPMFKSA-N", "SMILES:C=CC(=O)N(C)[C@H]1CC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYWCWYYJWLUGRT-JKSUJKDBSA-N", "SMILES:C=CC(=O)N(C)[C@H]1CCC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGHFBWKPUXJLY-LSDHHAIUSA-N", "SMILES:C=CC(=O)N(C)[C@H]1CC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDAHVDBMNCNIE-HDJSIYSDSA-N", "SMILES:C=CC(=O)N(C)[C@H]1C[C@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLDAHVDBMNCNIE-OKILXGFUSA-N", "SMILES:C=CC(=O)N(C)[C@H]1C[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKZFCJWULRBWCD-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)C12CCCC(Oc3nc(-c4cnn(C)c4)cn4nccc34)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICHAHJBTTZHEEA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)C12CCC(Oc3nc(-c4cnn(C)c4)cn4nccc34)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHQQIPBUBMXQQ-DHFPXDALSA-N", "SMILES:C=CC(=O)N(C)[C@]1(C)C[C@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFSPPPOPIJCLF-DHFPXDALSA-N", "SMILES:C=CC(=O)N(C)[C@H]1C[C@@](C)(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKJXFYSGGWSOZ-AFBRZQFHSA-N", "SMILES:C=CC(=O)N1C[C@H]2C[C@](C)(Oc3nc(-c4cnn(C)c4)cn4nccc34)[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZOINIBREFUBMF-ZTQAJYAQSA-N", "SMILES:C=CC(=O)N1CC[C@@H]2[C@H]1C[C@]2(C)Oc1nc(-c2cnn(C)c2)cn2nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIEKEILDJWQXRB-UHFFFAOYSA-N", "SMILES:CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBKNGHXCIUSNBJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)c4c5n(n(-c6ccccc6)c4=O)CCCC5)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOCGSUCATFWSGU-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)c4c5n(n(-c6cccc(F)c6)c4=O)CCCC5)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUAWXCKJDFXVHP-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)c4c5n(n(-c6cc(F)ccc6F)c4=O)CCCC5)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJOOWRAONULLAA-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)c4c5n(n(-c6ccc(F)cc6)c4=O)CCCC5)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKDNPFZPXXYNL-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)c4c5n(n(-c6cc(F)ccc6F)c4=O)CCCC5)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCFKACXAIBEPKR-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc(-c3cccc(CC#N)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBIDDGKALWIKCC-UHFFFAOYSA-N", "SMILES:Nn1cc(-c2n[nH]c3cc(Cl)c(NC4CCNC4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOEILZXFYPPMTR-SSEXGKCCSA-N", "SMILES:COc1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cn5)c4=O)cc3F)c2)ccc1OC[C@H]1COCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314428", "category": ["biolink:ChemicalEntity"], "name": "ZANZALINTINIB", "xref": ["InChIKey:JSPCKALGNNVYOO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)ccnc2cc1OC"], "synonym": ["Zanzalintinib", "Zanzalintinib", "Zanzalintinib", "Xl 092", "Zanzalintinib", "XL-092", "XL092", "Zanzalintinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314429", "category": ["biolink:ChemicalEntity"], "name": "TAMNORZATINIB", "xref": ["InChIKey:WHMMKPWGWNYYFE-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCCC5=O)nc3)c2cc1OC"], "synonym": ["Tamnorzatinib", "Tamnorzatinib", "Tamnorzatinib", "Ono 7475", "Ono-7475", "Tamnorzatinib", "ONO-7475"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSCMZXMZEWYREV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)Nc3c(F)cccc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJDKYCFDVHXSV-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)c(=O)c3ccc(C)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOXNQWUSMOXUQK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(-c3cn(CC(=O)Nc4ccc(F)cc4F)c4nc(C)ccc4c3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKQPSCPIUJDIZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)NCc3ccc(F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFOBJWDEPWGAT-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)NCCc3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOGNCDYFLGJVOM-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(-c3nc(-c4cccc(F)c4)no3)cn(CC(=O)NCc3ccco3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5019625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSUKWNLYOPGQPR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(Cc3cccc(F)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOGYDDMXMJHTA-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHWYNKRUOUJREV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(C(=O)Nc3ccccc3C)cn(CC(=O)NCCc3ccc(Cl)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUPHBYITVWSSCX-FQEVSTJZSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)c2cn(CC(=O)NCCc3ccc(Cl)cc3)c3cc(C)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLDQFKBECSDBNS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1cn(CC(=O)NCCc2ccc(Cl)cc2)c2cc(N3CCCCC3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAWACGFPTSUTDS-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1cn(CC(=O)NCCc2ccc(Cl)cc2)c2cc(N3CCOCC3)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIOUFXJFYQKAHL-SFHVURJKSA-N", "SMILES:C[C@H](NC(=O)c1cn(CC(=O)NCCc2ccc(Cl)cc2)c2cc(F)ccc2c1=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUAWXGWNNVQTF-QFIPXVFZSA-N", "SMILES:Cc1ccc2c(=O)c(C(=O)N[C@@H](C)c3ccccc3)cn(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBVJQNNDSIGEK-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)NCCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPZCWRLQEVXMKZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)NCCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQPSINHFAMEYCF-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)NC3CCN(c4ccc(Cl)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNXQZMGVTYKXBW-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(=O)c(-c3nnc(Cc4ccccc4)o3)cn(CC(=O)NCCc3ccc(Cl)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOBORTAJZNJCLJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc([N+](=O)[O-])c(Oc2ccc(C(=O)OC)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2391504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIVHRPYFSSVOG-UHFFFAOYSA-N", "SMILES:Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 13", "xref": ["CHEMBL.TARGET:CHEMBL3407324"], "id": "UniProtKB:Q92995", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSSQIYLVNASNTJ-CIAFOILYSA-N", "SMILES:C/C(=N\\NC(=S)Nc1ccccc1)c1nnn(-c2ccc(F)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHRJQGZKEXVVIR-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(CCCC(=O)Nc3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5403883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZWSXHAZFZEAA-UHFFFAOYSA-N", "SMILES:N=c1cc(N)nc2sc(NC(=O)c3cccs3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUJGDXZEELAJFC-CLFYSBASSA-N", "SMILES:O=C(NC1=NN2C(=O)/C(=C/c3ccco3)N=C2S1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJQEMHFEFSOPR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIADDELEAZXUSJ-AWNIVKPZSA-N", "SMILES:C/C(=N\\N1C(=O)CNC1=S)c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPTXDLKHXXCMZ-AQLMRPAESA-N", "SMILES:CCOC(=O)/C(C#N)=C(\\c1ccc(O)cc1)N1CC(=O)N(/N=C(\\C)c2ccc(O)cc2O)C1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGTUZTTZLNCNNC-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ncnc3sc4c(c23)CCCCC4)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVEYCTQROBIZHZ-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(Nc3ccnc(Nc4ccc(NC(=O)CCCCCCC(=O)NO)cc4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQAMNACDVZLTDL-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(Nc3ccnc(Nc4ccc(OCCCCCCC(=O)NO)cc4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTIHZRQNFPNCHT-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOMQJCXRLJAFC-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3)NNC(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHIHTOCBJCFPZ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3)NNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYZPDFHBMIKLBP-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c2c2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRRWOVZBGQVFTK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)c3c(N)c(C(=O)c4ccc(C)cc4)sc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMWUPDBRJFZLI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccnc(C(=O)NCCCCNC(=O)C3CC4C=CC3C4)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORLRVQQJCNIKI-YDZHTSKRSA-N", "SMILES:CCn1c(SCC(=O)Nc2ccc(/C(C)=N/O)cc2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVIGZLWGTUOHDH-QXUDOOCXSA-N", "SMILES:C/C(=N\\NC(=O)c1ccccc1O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRBOIXVGKXKYGX-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)n1cc(-c2nc3cc(Cl)ccc3[nH]c2=O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRYCDUQDQCYDLV-UHFFFAOYSA-N", "SMILES:CCNC(=S)NS(=O)(=O)c1ccc(NC(=O)CSc2cc3ccccc3c(=O)n2CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMZGNPNZVFEJNS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(ccn4nc(-c5cccnc5)nc34)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YECGRAQTLVCPOP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3c4cc(-c5ccc(OC)cc5)oc4ccn3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPKHXSUHQUDEEE-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(CN2CCN(c3cc(=O)[nH]c4ccc(F)cc34)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKFQTXUWJLQONN-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2cc(=O)[nH]c3c(-c4ccccc4)cccc23)CC1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWAIFKGHRCGAAO-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2ncnc(Nc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCCRGYPLKPNBC-YMZYAJTMSA-N", "SMILES:CN(C)c1ccc(C2CC(c3c(O)c4ccccc4oc3=O)=NN2c2nc(-c3ccccc3)c(/N=N/c3ccc(Cl)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDGRGRQDUKUBZ-YBFXNURJSA-N", "SMILES:Cc1ccc(/C=N/n2c(-c3cc4ccccc4[nH]3)n[nH]c2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVGZKFRGQCWRLG-YBFXNURJSA-N", "SMILES:COc1ccc(/C=N/n2c(-c3cc4ccccc4[nH]3)n[nH]c2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALXZGBOUDIVJB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nc(Nc2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNLZNZDWFLLFO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nc(Nc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCQUJKAKGSPOKF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c(=O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITOIHQHSGSJMM-KQWNVCNZSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C\\c4ccccc4)C3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIQOLDHANVOQA-JEIPZWNWSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/c3ccc(C4=NCC(=O)N(C)c5ccc(Cl)cc54)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQBISFWOIEQNW-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(NN=C3C(=O)NNC3=O)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIXANBUQGRVDHA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(NN=C3C(=O)NNC3=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCLHJJNWWJWRLH-RRAHZORUSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(=O)NNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKAKGUBQEBNENZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1sc(N2N=C(c3ccc(Cl)cc3Cl)CC2c2ccc(OC)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNNSSBQMMYYCQL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2CC(c3ccc(Cl)cc3Cl)=NN2c2nc(C)c(C(=O)Nc3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNNYGQHNWYCGO-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLMCOCZPXZNLHD-UHFFFAOYSA-N", "SMILES:CN1CCC2=C1C1C(=O)NC(c3ccccc3)=NC1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLYMHIAESKQED-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=S)Nc2cc(C)ccc2Cl)sc2c1N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGLFLXVPLCTQC-PIKZIKFNSA-N", "SMILES:Cc1cc(C[C@@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N(C)C)cc2cn[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3102959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQBNFDRSZQBNL-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc3nc(N)nc(N)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRWDSNKICPQLKZ-SNAWJCMRSA-N", "SMILES:Cc1cnc2nc1Nc1cccc(c1)COC/C=C/COCc1cc(ccc1OCCN1CCCC1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGZHWPDIRMIQTG-ZWXJPIIXSA-N", "SMILES:N=C(N)c1ccc(CNC(=O)[C@H](Cc2cccc(C(=N)N)c2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRILCFTWUCUKJR-WGKJRFPRSA-N", "SMILES:Nc1nc(=O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)O[C@@H]3C4O)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYDKGHNNZBHIY-VOVGHYLJSA-N", "SMILES:N.N.O=[P@]1(S)OC[C@H]2O[C@@H]3[C@H](F)[C@@H]2O[P@](=O)(S)OC[C@H]2O[C@H]([C@H](F)[C@@H]2O1)n1cnc2c(ncnc21)NC/C=C/CNc1ncnc2c1ncn23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEKPXJLOYIHJQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CCOc2cc(=O)oc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OISBNGXKBOCXER-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGALEFRCKPSHT-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQYSYNGPPQQJW-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEDJMZPQFJDNA-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALRLENDIHGVVDY-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVAFHXUOPSXQOF-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDZDXFTNNLXFS-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRHDTNANZAYFHJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCO)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOHKECCWMOAJNH-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKJXDSZQTXARH-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDNVJOGXLGPBFH-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAVNDOLVFFVVBX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBEFDXXUUNMTSK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPJHWPFFKVRFPR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQVZHIHIVJRIC-OAQYLSRUSA-N", "SMILES:N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBQVZHIHIVJRIC-NRFANRHFSA-N", "SMILES:N[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIWPTIGAVIWDG-HXUWFJFHSA-N", "SMILES:N[C@@H]1CCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIWPTIGAVIWDG-FQEVSTJZSA-N", "SMILES:N[C@H]1CCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCUJQHLLVMQMID-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQAOHVZJKCGBQW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(N4CCc5cc(F)ccc54)c3n2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUBNJCCNGYAEDF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncnc(N4CCc5cc(F)ccc54)c3n2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLLAJTFWKAYWBI-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1cccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDROMVQTALVNT-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)c1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWGKAMKQNIIHHH-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRFZYWGMOLOLPZ-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccc3ncnc(N4CCc5cc(F)ccc54)c3n2)c1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAHICCQTWURYKS-DZQJYWQESA-N", "SMILES:OC[C@H]1O[C@H](Sc2cc(Cl)c(F)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3csc(O)n3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXKUVVLYCJIDAK-DZQJYWQESA-N", "SMILES:Nc1nc(-c2cn([C@@H]3[C@@H](O)[C@@H](Sc4cc(Cl)c(F)c(Cl)c4)O[C@H](CO)[C@@H]3O)nn2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5554986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRVIMUAGHUSYFN-UVLCOCDESA-N", "SMILES:COc1nc(-c2cn([C@@H]3[C@@H](O)[C@@H](Sc4cc(Cl)c(F)c(Cl)c4)O[C@H](CO)[C@@H]3O)nn2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBCUUSJAOBKBSM-UVLCOCDESA-N", "SMILES:CNc1nc(-c2cn([C@@H]3[C@@H](O)[C@@H](Sc4cc(Cl)c(F)c(Cl)c4)O[C@H](CO)[C@@H]3O)nn2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFJMGNMXVAGKP-PLLDYVMSSA-N", "SMILES:CN(C)c1nc(-c2cn([C@@H]3[C@@H](O)[C@@H](Sc4cc(Cl)c(F)c(Cl)c4)O[C@H](CO)[C@@H]3O)nn2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHRCCAYLOPTYOY-OWKNBALPSA-N", "SMILES:Nc1csc(-c2cn([C@@H]3[C@@H](O)[C@@H](Sc4cc(Cl)c(F)c(Cl)c4)O[C@H](CO)[C@@H]3O)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRSSCEACIWCBNY-QGHZAEEISA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3nccs3)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Sc1cc(Cl)c(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPGXGAXHCQJRA-UVLCOCDESA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3csc(O)n3)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Sc1cc(Cl)c(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQUNTYCGLAYYCP-UVLCOCDESA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3csc(N)n3)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Sc1cc(Cl)c(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYFYJPPTJLAMF-DRRXZNNHSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3csc(O)n3)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Sc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDCADZCZJAHJTJ-DRRXZNNHSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3csc(N)n3)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Sc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWEZCWXAMQJAHD-LYYZXLFJSA-N", "SMILES:OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](n2cc(-c3csc(O)n3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKBMTIXOPWPJEO-CHAWKLFJSA-N", "SMILES:O=C(N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4csc(O)n4)nn3)[C@H]2O)[C@@H]1O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZZCZFBQVJHDMH-WNSGWSRRSA-N", "SMILES:OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4csc(O)n4)nn3)[C@H]2O)[C@H](O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1466536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIUFEHMLDYOBHB-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHJFLKVYMVPGRS-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(C3CCCCC3)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJGNQGWTVZIQV-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3ccccc3)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHMKENCDAVGRQ-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVOWKBWSZCGABQ-UHFFFAOYSA-N", "SMILES:Cn1ccc2c(N3CC(c4nc5ccccc5n4C)CC3=O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEAHFVGWIYQKKA-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3ccc4ccccc4c3)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRHXHOPVPDUINZ-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3ccc4ncsc4c3)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNNUEFJCOGZKHU-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXWGGVNZBBAYDQ-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CC(c3nc4ccccc4n3C)CC2=O)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHRDLRHLRBFSDV-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3ccc(Br)c(Br)c3)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNHGBNKCHOPOL-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3cccc(F)c3F)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYFCYOGUBLYZSS-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3ccc(F)c(F)c3)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSJKMXCXGCNAGI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CC(c2nc3ccccc3n2C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXVFVYVRLIAYDJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOKHUJRUYFYSKH-UHFFFAOYSA-N", "SMILES:Cc1c(N2CC(c3nc4ccccc4n3C)CC2=O)cccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNWIJVZNQSPVIV-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLWOMJRRTIJOOQ-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQNUCQKDYBPXDO-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3cccc(Cl)c3F)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSDISCAAGCRFK-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3cccc(Br)c3F)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGWBPZNKQZZEHZ-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1N1CC(c2nc3ccccc3n2C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUIOYSFTJZAARC-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cccc1N1CC(c2nc3ccccc3n2C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRRAAFHPQGXJBL-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWWKTRLYPKPJY-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3cccc(Cl)c3Cl)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZXQYFEMBGYFI-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3cccc(Br)c3Cl)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXYSSCBCNBEIU-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3cccc(F)c3Br)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFOIFYIPUFIREU-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSQBTBIPIURRU-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3cccc(Cl)c3Br)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKYZXJYIGNGRV-UHFFFAOYSA-N", "SMILES:Cc1c(N2CC(c3nc4ccccc4n3C)CC2=O)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMWGSISFWYRFTJ-UHFFFAOYSA-N", "SMILES:COc1c(Br)cccc1N1CC(c2nc3ccccc3n2C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNTWGLICBNZGX-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3cccc(Br)c3O)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSLOVZFTUQMBY-UHFFFAOYSA-N", "SMILES:Cn1c(C2CC(=O)N(c3ccc(O)c(O)c3)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPWKDNPPMKRQW-UHFFFAOYSA-N", "SMILES:Cc1c(O)cccc1N1CC(c2nc3ccccc3n2C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMANHLVVYBSWES-UHFFFAOYSA-N", "SMILES:Cc1c(N)cccc1N1CC(c2nc3ccccc3n2C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPTWMPLXDSEDV-UHFFFAOYSA-N", "SMILES:CCn1c(C2CC(=O)N(c3cccc(Br)c3C)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRAXWASBICPEJ-UHFFFAOYSA-N", "SMILES:CCCn1c(C2CC(=O)N(c3cccc(Br)c3C)C2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUSLJYBHQRXRB-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cccc1N1CC(c2nc3ccccc3n2C(C)C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYIEPCXLYPBDR-UHFFFAOYSA-N", "SMILES:Cc1c(Br)cccc1N1CC(c2nc3cc(F)c(F)cc3n2C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHVCZZLWZYHSA-BQYQJAHWSA-N", "SMILES:CCCCCC/C=C/CCCCCCCc1cccc(O)c1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1966521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADAUKUOAOMLVSN-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2nc3c(C(=O)O)cc(O)c(O)c3[o+]c2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXHPUSKEWEOAP-DJKKODMXSA-N", "SMILES:O=C(N/N=C/c1cc(O)c(O)cc1O)c1cc2ccccc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHPVZBRZAXDPEO-UHFFFAOYSA-N", "SMILES:COCCCOc1ccc(C)c(C[S+]([O-])c2nc3ccccc3[nH]2)n1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUIOYSFTJZAARC-ZDUSSCGKSA-N", "SMILES:Cc1c(Br)cccc1N1C[C@@H](c2nc3ccccc3n2C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3431191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFSYGJBPBTWLFR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2noc(CC3CCCN(Cc4cccc(F)c4C)C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQVNASOIOUTXNB-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1CN1CCCC(Cc2nc(-c3ccc(N)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQUXCVQVERPGEC-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1CN1CCCC(Cc2nc(-c3ccc(NC(=S)NCc4ccccc4)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPIUICOMYRJZHR-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1CN1CCCC(Cc2nc(-c3ccc(NC(=S)Nc4ccccc4)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHPRZNTQCGPPU-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1CN1CCCC(Cc2nc(-c3ccc(NC(=O)NCc4ccccc4)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUQDFSFZNBVXGS-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)Nc1ccc(-c2noc(CC3CCCN(Cc4cccc(F)c4C)C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVHZOVAGAWMFF-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1CN1CCCC(Cc2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTNIZYCEQGHRF-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)Nc2ccc(-c3noc(CC4CCCN(Cc5cccc(F)c5C)C4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRDVFIGQJVDTKL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(-c3noc(CC4CCCN(Cc5cccc(F)c5C)C4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDFGTVQXYYWSQQ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc(-c3noc(CC4CCCN(Cc5cccc(F)c5C)C4)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHKRERRVUNUNCU-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1CN1CCCC(Cc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USLQGCUXEGLWGH-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1CN1CCCC(Cc2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJYXDTXEZHGWTH-UHFFFAOYSA-N", "SMILES:Cc1c(F)cccc1CN1CCCC(Cc2nc(-c3ccc(NC(=O)c4ccc(Cl)s4)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTNBHQJETORMIL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(Cc5ccc(OCCN6CCOCC6)cc5)nn4)c3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDDBQCFKUYHIS-HKBQPEDESA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRQJTIKBBAGTFG-HJOGWXRNSA-N", "SMILES:CCCCCCCCCCCCNC(=S)NCCCC[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVPSCRTENVKPN-ZQCVIMGFSA-N", "SMILES:CCOC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOGYPEWXUXTNRO-BTSRZBPPSA-N", "SMILES:CC(C)OC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWASQXYBJUZLNH-NGVXDUQMSA-N", "SMILES:CC(C)CCOC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXQWZYCKUAUNY-AZNLDMJXSA-N", "SMILES:O=C(OC1CCCC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGULKVOFUHVGAX-BTSRZBPPSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYALSIAPXGPPF-UASZRJAKSA-N", "SMILES:O=C(OC[C@H]1CCCN1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYALSIAPXGPPF-MLBFCADUSA-N", "SMILES:O=C(OC[C@@H]1CCCN1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWMCQRQBDJOIKS-BTSRZBPPSA-N", "SMILES:CNCCOC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFYQCUFZRATSFI-AZNLDMJXSA-N", "SMILES:O=C(OC1CCNCC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZSDMLXXIDKIJ-VPQXEIKNSA-N", "SMILES:O=C(OC1CCCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKICINZEIMZFJT-KCJGJZAOSA-N", "SMILES:O=C(OCC1CNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRPSIASNKOJOII-KMLKFPRHSA-N", "SMILES:O=C(OC[C@H]1CCN1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRPSIASNKOJOII-MYIZJDFTSA-N", "SMILES:O=C(OC[C@@H]1CCN1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQHGVIOSQMKLI-RXMWSQQWSA-N", "SMILES:O=C(OC[C@@H]1CCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYQHGVIOSQMKLI-MLBFCADUSA-N", "SMILES:O=C(OC[C@H]1CCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHKGPGOSQHWIW-KMLKFPRHSA-N", "SMILES:O=C(O[C@@H]1CCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHKGPGOSQHWIW-MYIZJDFTSA-N", "SMILES:O=C(O[C@H]1CCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPORLXJQFWKHJH-XEUUEJNQSA-N", "SMILES:O=C(OC1CNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDUEWVEKPTTKB-ZPMKUQPVSA-N", "SMILES:N[C@H]1C[C@H](OC(=O)[C@@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5CCN4C[C@@H]3CC[C@@H]2O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDUEWVEKPTTKB-VGXMWFALSA-N", "SMILES:N[C@H]1C[C@@H](OC(=O)[C@@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5CCN4C[C@@H]3CC[C@@H]2O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRAPCDNKKBHQX-MLBFCADUSA-N", "SMILES:CN1CC[C@H](OC(=O)[C@@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5CCN4C[C@@H]3CC[C@@H]2O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAUSOWIOWMCSB-MYIZJDFTSA-N", "SMILES:O=C(O[C@H]1CCOC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAVBRHRUPGPDJ-XEUUEJNQSA-N", "SMILES:O=C(OC1COC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NILZNRRUAHKEDI-MYIZJDFTSA-N", "SMILES:O=C(N[C@H]1CCNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZGUXKVYHYPOAE-XEUUEJNQSA-N", "SMILES:O=C(NC1CNC1)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEHMQBKOLANBES-HIERITDVSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)NCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQINLRTVNZLFOS-UHFFFAOYSA-N", "SMILES:O=C(OCC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDKPUEPPLMNTGG-AFRCBTSSSA-N", "SMILES:O=C(NCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(COc2cccc([C@@](O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDKPUEPPLMNTGG-JUFRVMORSA-N", "SMILES:O=C(NCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(COc2cccc([C@](O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTRJTZMXLDJAT-JUFRVMORSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)OCC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTRJTZMXLDJAT-WJCINHJDSA-N", "SMILES:O=C(NCCCOc1cccc([C@@](O)(C(=O)OCC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1)c1ccc(CNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNDFLPDFHPTEY-ZKHKIMDNSA-N", "SMILES:O=C(NCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1cccc(C(=O)NC2(C(=O)O[C@H]3CN4CCC3CC4)CCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQDFIXOAMVDMRY-APMKENDMSA-N", "SMILES:O=C(NCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(CNC2(C(=O)O[C@H]3CN4CCC3CC4)CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOWQUSXFAHEKKS-IIGFPRLYSA-N", "SMILES:O=C(N[C@@H](c1ccccc1)c1cccc(OCc2cccc(C(=O)NCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1)O[C@H]1CN2CCC1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUIQZJMQCJTPAL-VBIMAARKSA-N", "SMILES:O=C(NCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(CNC2(C(=O)OCC3CCN(Cc4ccccc4)CC3)CCc3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSQTEZONHOFGG-ZPGRZCPFSA-N", "SMILES:O=C(NCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(C(=O)N2CCC(C(=O)O[C@H]3CN4CCC3CC4)(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXLIQVUREFRFQX-IOLBBIBUSA-N", "SMILES:O=C(c1ccc(OCc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)N1CCC(C(=O)O[C@@H]2CN3CCC2CC3)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFRVKHZZZPVSQW-QPPIDDCLSA-N", "SMILES:O=C(c1ccc(OCc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)N1CC(C(=O)O[C@@H]2CN3CCC2CC3)(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCKPVXJMKYCFT-LBIBYGOESA-N", "SMILES:O=C(NCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(C(=O)C2CC(C(=O)O[C@H]3CN4CCC3CC4)(c3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBZUHSYFSNXAAB-SJARJILFSA-N", "SMILES:O=C(c1ccc(OCc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)N1CC(C(=O)OCC2CCN(Cc3ccccc3)CC2)(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUDVPJKSUCDACK-UYKAELIGSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)OCC2CCN(C3CCC3)CC2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZVMYSDKVARGBG-VNKGTZQQSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)OCC2CCN(C3CCCC3)CC2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVRXKANVLQJEAI-LOQVRBQGSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)OC[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVRXKANVLQJEAI-XRLNRYFPSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)OC[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRJNVBTXYPUNW-AWXZYBQUSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)OC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHSLDBDBCMMLB-PALZRKOSSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHSLDBDBCMMLB-AEVBKVGZSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUFXFJFGJKSMI-SEAIMCLSSA-N", "SMILES:CN1CCC(COC(=O)[C@](O)(c2ccccc2)c2cccc(OCCCNC(=O)c3ccc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLJSVAFLQNCQEC-DCWMYFIGSA-N", "SMILES:CN1CCC[C@H](OC(=O)[C@](O)(c2ccccc2)c2cccc(OCCCNC(=O)c3ccc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)c2)C1.O=CO.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPWHCUCZMYCWNB-WFRZLGIJSA-N", "SMILES:CN1CCC[C@@H](OC(=O)[C@](O)(c2ccccc2)c2cccc(OCCCNC(=O)c3ccc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTVXXPZNWKQNCL-QRYVXDAUSA-N", "SMILES:CN1CCC[C@@H](OC(=O)[C@](O)(c2ccccc2)c2cccc(OCCCNC(=O)c3cnc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)nc3)c2)C1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHEDAJCFTHJHJR-WFRZLGIJSA-N", "SMILES:CN1CCC[C@@H](OC(=O)[C@](O)(c2ccccc2)c2cccc(OCCCNC(=O)c3cccc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUJDPHOMQUAXSL-WPVDXGJHSA-N", "SMILES:COc1cc(C(=O)NCCCOc2cccc([C@](O)(C(=O)O[C@@H]3CCCN(C)C3)c3ccccc3)c2)c(OC)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPIYDDWZLYOPO-LLNIBVGPSA-N", "SMILES:COc1cc(C(=O)NCCCOc2cccc([C@](O)(C(=O)O[C@@H]3CCCN(C)C3)c3ccccc3)c2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWSNUZDBAKBJJH-LLNIBVGPSA-N", "SMILES:COc1cc(C(=O)NCCCOc2cccc([C@](O)(C(=O)O[C@@H]3CCCN(C)C3)c3ccccc3)c2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSIUQFLBTKNGLM-LBLCOUCYSA-N", "SMILES:CN1CCC[C@@H](OC(=O)[C@](O)(c2ccccc2)c2cccc(OCCCNC(=O)c3ccc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)nc3)c2)C1.O=CO.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMXBUNNZUHZSQY-LLNIBVGPSA-N", "SMILES:COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c(Cl)cc1C(=O)NCCCOc1cccc([C@](O)(C(=O)O[C@@H]2CCCN(C)C2)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZZXNLIQFMRDFS-ISNMHEGYSA-N", "SMILES:COc1cc(C(=O)NCCCOc2cccc([C@](O)(C(=O)O[C@@H]3CCCN(C)C3)c3ccccc3)c2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZWOLOIRKGCSJT-ZPOSWYPZSA-N", "SMILES:CN1CCC[C@@H](OC(=O)[C@](O)(c2ccccc2)c2cccc(OCCCNC(=O)c3ccc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)c(F)c3)c2)C1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIFITVCAYRZTBW-HFRQYYRXSA-N", "SMILES:Cc1cc(C(=O)NCCCOc2cccc([C@](O)(C(=O)O[C@@H]3CCCN(C)C3)c3ccccc3)c2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEAHWTUOXGWPGA-MQYYMTMWSA-N", "SMILES:COc1cc(C(=O)NCCCOc2cccc([C@](O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCQJOURWRWSNPF-MQYYMTMWSA-N", "SMILES:COc1cc(C(=O)NCCCOc2cccc([C@](O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXPDLMCIWWALOY-DYSCKZRXSA-N", "SMILES:O=C(c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)N1CC(COc2cccc([C@](O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODKXPJUKDXDIIX-OUBUFZLKSA-N", "SMILES:O=C(NCc1ccc(-c2cccc([C@](O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)s1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNSANJJVAXXKMK-GFAMCXLVSA-N", "SMILES:CN1CCC(COC(=O)[C@@](O)(c2ccccc2)c2cccc(-c3ccc(CNC(=O)c4ccc(CNC[C@H](O)c5ccc(O)c6[nH]c(=O)ccc56)cc4)s3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNSANJJVAXXKMK-FMZWIXTRSA-N", "SMILES:CN1CCC(COC(=O)[C@](O)(c2ccccc2)c2cccc(-c3ccc(CNC(=O)c4ccc(CNC[C@H](O)c5ccc(O)c6[nH]c(=O)ccc56)cc4)s3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFIGAQEXLTGJY-ZSXPQNSQSA-N", "SMILES:COc1cc(C(=O)N2CCC(c3cccc([C@](O)(C(=O)OCC4CCN(Cc5ccccc5)CC4)c4ccccc4)c3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRZFUUGOIWNNT-HWPOXGSQSA-N", "SMILES:O=C(c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)N1CCC(c2cccc([C@](O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUPQTUIGIPSEJ-JUADEKMFSA-N", "SMILES:COc1cc(C(=O)NCCCOc2cccc([C@](O)(C(=O)OCC3CCN(CC4CC4)CC3)c3ccccc3)c2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.O=CO.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZWGOQGBHNJGKQ-QOMJPPLOSA-N", "SMILES:CCN1CCC(COC(=O)[C@](O)(c2ccccc2)c2cccc(OCCCNC(=O)c3cc(OC)c(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3F)c2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZJLLCNMQGYKNV-ZKHKIMDNSA-N", "SMILES:O=C(NCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(C(=O)NC2(C(=O)O[C@H]3CN4CCC3CC4)CCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAYGGSMQYHJHMH-NWWLCHBLSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)O)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZQPLHPTMQPFE-RUUKGECQSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZQPLHPTMQPFE-OUGVSBSMSA-N", "SMILES:O=C(NCCCOc1cccc([C@](O)(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOUWKCIDKVLHKE-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3ccccc3)cc(C3CCNCC3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULQDFQJEFWJRJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(Nc2nc(-c3ccccc3)cc(C3CCNCC3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPOUWNQNVDCTE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Nc2nc(-c3ccc[nH]3)nc(C3CCNCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPBKOOXRVIEJE-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(Nc2nc(-c3ccccc3)cc(C3CCNCC3)n2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBYNCUTRNFUFF-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(-c3ccccc3)cc(C3CCNCC3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUYDVYHHUBCMY-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(-c3ccccc3)cc(C3CCNCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFNPGIQGYENOZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc[nH]1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFWSCSUGGKUGJD-UHFFFAOYSA-N", "SMILES:COC(=O)N(c1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGBDTXFCCLOAQQ-UHFFFAOYSA-N", "SMILES:COC(=O)N(c1cccc(OC)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVPLSDOYDTVHIL-UHFFFAOYSA-N", "SMILES:CCCCCC(=O)N(c1cccc(OC)c1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRDWUDZBHWHLSH-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1ccccc1C)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL164627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPAJFOSXYXNYMA-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1C)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTMKLKGUXLSYNU-UHFFFAOYSA-N", "SMILES:CCCC(=O)N(c1ccccc1C)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEELXUZEJXBNMW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C(=O)C1CCCC1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSUCMXZTEKEVRK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C(=O)C1CCCCC1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL423089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGGRFVHAVDBSM-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1c(C)cccc1C)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSSNTJNKULOUEM-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNWBOKFPWFYLIL-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N(C(=O)c1ccccc1F)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMKUYTVLGMGYEU-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N(C(=O)c1c(F)cccc1F)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZGAKSALHRKPU-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1c(C)cccc1Cl)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCSWAARTUOSQM-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXSHVSKQRCSCNO-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1N(C(C)=O)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAPBHWFJTWOVCK-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1c(C)cccc1CC)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGARZDBEQHBQKX-UHFFFAOYSA-N", "SMILES:CCCC(=O)N(c1c(C)cccc1CC)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLTIHHIKASBSEF-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1N(C(=O)C1CC1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKWTLVILRLFET-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1N(C(=O)C1CCCC1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWJFWFHJTMZTGC-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1N(C(=O)C1CCCCC1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZJCDIGLRGBNJM-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKQAENMGAKXCBK-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1N(C(=O)c1ccoc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIUDJPGGXHTSJM-UHFFFAOYSA-N", "SMILES:CCc1cccc(C)c1N(C(=O)c1cccs1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXHNISDUXLZFPJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(C)C)c1N(C(=O)c1ccco1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGSFLCLZRBQPO-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1c(C)cccc1F)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL349167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPKVUHSMCMLOPC-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1Cl)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DATBPZVFIOJDPK-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1c(F)cccc1Cl)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUNIJYICFZVDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC2CCCCC2)cc1-c1noc(C(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWKJVWHDZGXECK-UHFFFAOYSA-N", "SMILES:COC1CCC(Nc2ccc(C)c(-c3noc(C(C)c4cccc5ccccc45)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLARTMNXALAHU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC2CCC(C(=O)O)CC2)cc1-c1noc(C(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOBVKSJSOXOSQD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC2CCCC(C(=O)O)C2)cc1-c1noc(C(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOLGWDLTBUDQA-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ccc(C(=O)O)cc2)cc1-c1noc(C(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVUWDUWHOAYOIF-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Nc2ccc(C)c(-c3noc(C(C)c4cccc5ccccc45)n3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMMHHAXXSJTLKS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2ccc(C(=O)O)cc2)cc1-c1noc(C(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUGRSKKDIKSBGY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2cccc(C(=O)O)c2)cc1-c1noc(C(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIWCRASQAHNHNL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2ccc(O)cc2)cc1-c1noc(C(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRJUALHEADCKFW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1-c1noc(C(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCEKEPPABWEXBE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2ccc(C(=O)O)o2)cc1-c1noc(C(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIBEAMBFURPAM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2ccc(C(=O)O)s2)cc1-c1noc(C(C)c2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADZDMNXXFBVALZ-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2cccc(NCc3ccc(C(=O)O)cc3)c2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCIRGJMVYBAUFU-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2cccc(NCc3ccc(C(=O)O)s3)c2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLPLMOLDVNCGAR-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2cccc(NCc3ccc(C(=O)O)o3)c2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVACWPXXKIQZLU-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2cc(NCc3ccc(C(=O)O)cc3)ccc2Br)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXDPFGMSBKTWTA-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2cc(NCc3ccc(C(=O)O)cc3)cc(C(F)(F)F)c2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCKLQIJGZNRTLY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)c3cccc4ccccc34)n2)cc1NCc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIXRXJKNWZPCKS-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2cc(NCc3ccc(C(=O)O)s3)cc(C(F)(F)F)c2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKUJNQJIKUHSHN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)c3cccc4ccccc34)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDESUPULBZNPIS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C(C)c3cccc4ccccc34)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJWMCJRVPYEREK-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2ccc(NCc3ccc(C(=O)O)cc3)cc2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHHTRGUTKRVRJ-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2ccc(NCc3ccc(C(=O)O)s3)cc2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGDQLILCLQBPOA-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2ccc(N(C)Cc3ccc(C(=O)O)s3)cc2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQSOCZFWCVCQY-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2ccc(Nc3ccc(C(=O)O)cc3)cc2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFCXFKYDIGDTAK-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPYWXVQKSLPLT-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2ccc(-c3ccc(C(=O)O)s3)cc2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWBZJUIUPYFTNP-UHFFFAOYSA-N", "SMILES:CC(c1nc(-c2ccc(-c3ccc(C#N)s3)cc2)no1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNFKLZWCDLASQ-UHFFFAOYSA-N", "SMILES:CONC(=O)c1ccc(-c2ccc(-c3noc(C(C)c4cccc5ccccc45)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWOGIADRRWQXKL-UHFFFAOYSA-N", "SMILES:CC(c1noc(-c2ccc(-c3ccc(C#N)s3)cc2)n1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXUCAFMSLRVOO-UHFFFAOYSA-N", "SMILES:CC(c1noc(-c2ccc(-c3ccc(C(=O)O)s3)cc2)n1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLIHUMPPXUWJZ-UHFFFAOYSA-N", "SMILES:CC(c1ncc(-c2ccc(-c3ccc(C#N)s3)cc2)o1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIHQLVQKWLJFX-UHFFFAOYSA-N", "SMILES:CC(c1ncc(-c2ccc(-c3ccc(C(=O)O)s3)cc2)o1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HULVIXZFZDGOPT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)c3cccc(-c4ccccc4)c3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACXKJXNKDUKGS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)(C)c3ccc(-c4ccccc4)cc3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNOGPQBNQOOMO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)c3ccc(CC(C)C)cc3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBGBRBPAOZVORI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)c3cccc(-c4cccs4)c3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQCJWXPRTROLHE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(Cc3cccc(-c4cccs4)c3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYOHTDBKDRXPE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3cccc4ccccc34)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTXOQKXBZWKDO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccccc3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHJYEBBWCJPGH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVNWCHAYVXKAV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(c3ccccc3)c3ccccc3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFXUEEHPRGCYIT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(O)c3ccccc3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBNJXYDAEBRKMU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)c3cccc(C(O)c4ccccc4)c3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEISEQZVBRFDOC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)c3cccc(Oc4ccccc4)c3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHYQLORQXMLMJH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)c3ccc4c(c3)[nH]c3ccc(Cl)cc34)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVWVXTCLMNMLNW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)c3ccc(N4Cc5ccccc5C4=O)cc3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5554984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPVMHRGCBAQKA-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(C)c3nc(-c4ccc(C)c(NCc5ccc(C(=O)O)s5)c4)no3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPVMHRGCBAQKA-QGZVFWFLSA-N", "SMILES:COc1ccc2cc([C@@H](C)c3nc(-c4ccc(C)c(NCc5ccc(C(=O)O)s5)c4)no3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPVMHRGCBAQKA-KRWDZBQOSA-N", "SMILES:COc1ccc2cc([C@H](C)c3nc(-c4ccc(C)c(NCc5ccc(C(=O)O)s5)c4)no3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIEZLQYDBKYFJU-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C(C)c3ccc(-c4ccccc4)c(F)c3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIEZLQYDBKYFJU-GOSISDBHSA-N", "SMILES:Cc1ccc(-c2noc([C@H](C)c3ccc(-c4ccccc4)c(F)c3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIEZLQYDBKYFJU-SFHVURJKSA-N", "SMILES:Cc1ccc(-c2noc([C@@H](C)c3ccc(-c4ccccc4)c(F)c3)n2)cc1NCc1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5279564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMZGYYCCAWUCHJ-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)Nc1cc(Nc2ncc(F)c(Nc3c(F)cccc3F)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNYIZPZPZIBWQL-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Cn2cc(COc3ccc4c(C)cc(=O)oc4c3C)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4849464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJDMRPMFRWAOP-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c(NCc3ccccc3)nc(OC3CCN(C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXEWKNNYETYRLN-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c(NCc3ccccc3N)nc(OC3CCN(C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNSNIVPZDDXYEL-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c(NCc3cccc(N)c3)nc(OC3CCN(C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYIMHFDDXYQQAG-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c(NCc3ccc(N)cc3)nc(OC3CCN(C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTEOAXVFLCXKFR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJMXHOMSRGAWAM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AACAOIDOQXDMCI-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c(-n2ccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZXWPYGNVMBST-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c(N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVLNOGGRKFWOTC-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDYXBLNHACBPJZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c(NCc3ccc(NC(=O)CCCCCCO)cc3)nc(OC3CCN(C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVGDOYWNSYNSU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(NC3CCN(C)CC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGYFXJMFRWQGT-SFHVURJKSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(O[C@H]3CCCNC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFGYFXJMFRWQGT-GOSISDBHSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(O[C@@H]3CCCNC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYMNIYFOVENLL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(NC3CCCNC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWUDAGYQNRJLN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(NC3CCNCC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHESKSKXFHVUOZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(NC3CCOCC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGQJBIABPQRCU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(NC3COC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXVDXLRXMYVPC-INIZCTEOSA-N", "SMILES:CC[C@@H](CO)Nc1nc(NCc2ccc(NC(C)=O)cc2)n2ncc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXVDXLRXMYVPC-MRXNPFEDSA-N", "SMILES:CC[C@H](CO)Nc1nc(NCc2ccc(NC(C)=O)cc2)n2ncc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTOOAXMGUHDYNM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(NC(CO)CO)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRFZKJZXBCWGJM-GOSISDBHSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(N3CCC[C@@H]3CO)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFKPCBJEJGPBFI-GOSISDBHSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(N3CCC[C@@H](O)C3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFKPCBJEJGPBFI-SFHVURJKSA-N", "SMILES:CC(=O)Nc1ccc(CNc2nc(N3CCC[C@H](O)C3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFCTZWAYWPDNW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(CNc2cc(NC3CCOCC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSOKPIRBWPIEF-KRWDZBQOSA-N", "SMILES:CC[C@@H](CO)Nc1cc(NCc2ccc(NC(C)=O)cc2)n2ncc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULLFMXSDPINFN-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(CNc2nc(NC3CCN(C)CC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVYIYNNLJLEXCW-SFHVURJKSA-N", "SMILES:CCC(=O)Nc1ccc(CNc2nc(O[C@H]3CCCNC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVYIYNNLJLEXCW-GOSISDBHSA-N", "SMILES:CCC(=O)Nc1ccc(CNc2nc(O[C@@H]3CCCNC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFUCJJVAIILNY-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(CNc2nc(NC3CCCNC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQFHOHAIVVOIJY-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(CNc2nc(NC3CCNCC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJNLYPVJPNQSND-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(CNc2nc(NC3CCOCC3)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHRPYWPGXCVOY-INIZCTEOSA-N", "SMILES:CCC(=O)Nc1ccc(CNc2nc(N[C@@H](CC)CO)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHRPYWPGXCVOY-MRXNPFEDSA-N", "SMILES:CCC(=O)Nc1ccc(CNc2nc(N[C@H](CC)CO)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJXEUKGIZEGCB-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(CNc2nc(NC(CO)CO)nc3c(C(C)C)cnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFOONFRMTLLSTQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(C(=O)Nc2ccc(CNc3nc(NC4CCOCC4)nc4c(C(C)C)cnn34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRAAFABYEISPSR-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c(NCc3ccc(NC(=O)C4CCOCC4)cc3)nc(NC3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SICVBGDJQNMSDS-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c(NCc3ccc(NC(=O)C4(F)CC4)cc3)nc(NC3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUQQZMBCQTEJM-NRFANRHFSA-N", "SMILES:CC[C@@H](CO)Nc1nc(NCc2ccc(NC(=O)C3CCN(C(C)=O)CC3)cc2)n2ncc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWWTZNLYKPWLQS-IBGZPJMESA-N", "SMILES:CC[C@@H](CO)Nc1nc(NCc2ccc(NC(=O)C3CCOCC3)cc2)n2ncc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBMQUZJLISDFQ-INIZCTEOSA-N", "SMILES:CC[C@@H](CO)Nc1nc(NCc2ccc(NC(=O)C3(F)CC3)cc2)n2ncc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHUQQZMBCQTEJM-OAQYLSRUSA-N", "SMILES:CC[C@H](CO)Nc1nc(NCc2ccc(NC(=O)C3CCN(C(C)=O)CC3)cc2)n2ncc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWWTZNLYKPWLQS-LJQANCHMSA-N", "SMILES:CC[C@H](CO)Nc1nc(NCc2ccc(NC(=O)C3CCOCC3)cc2)n2ncc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBMQUZJLISDFQ-MRXNPFEDSA-N", "SMILES:CC[C@H](CO)Nc1nc(NCc2ccc(NC(=O)C3(F)CC3)cc2)n2ncc(C(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCVHHHRVMNEFN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1CNc1nc(OC2CCN(C)CC2)nc2c(C(C)C)cnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVJOVGZWOUPWTG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(CNc2nc(OC3CCN(C)CC3)nc3c(C(C)C)cnn23)c1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZRJWDYGKMCOEU-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2C)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMLKHEZNTKQZHU-UHFFFAOYSA-N", "SMILES:CCn1c(NCCc2c[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDZSLMIWNRAWHO-UHFFFAOYSA-N", "SMILES:CCCn1c(NCCc2c[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLCIKPOQUUMAZ-UHFFFAOYSA-N", "SMILES:CCCCn1c(NCCc2c[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFDKGZGKGNZBAD-UHFFFAOYSA-N", "SMILES:C=CCn1c(NCCc2c[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUMKPWBZWRRNY-UHFFFAOYSA-N", "SMILES:C=CCCn1c(NCCc2c[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFPZLIIGAOORPV-UHFFFAOYSA-N", "SMILES:C#CCn1c(NCCc2c[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAORUACUQRSQIU-UHFFFAOYSA-N", "SMILES:CCC#CCn1c(NCCc2c[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZVXUOOUOUQGPQ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CCF)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QONLDTIRHJGVNK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccccc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLEJWPSVCTYYIC-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccccc2F)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIHHPOFGPDTBQI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccccc2Cl)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BINIKEVNRZYPMZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccccc2Br)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVZAQTQUNYPLNN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2cccc(F)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYQOLJCRBPWGX-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2cccc(Cl)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTLIULOWYAVISU-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2cccc(Br)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWNQDFUWZOXZKE-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBSYOSVBOWLQC-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXEYBSRMEMOFNS-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(C(F)(F)F)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVGPGZKUAXCCJZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVOWRRBKCQJNRU-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCWZNYWYMNCDPP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDVFVNHKLSRHO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(C(N)=O)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJYZZHZHMUPNEH-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVJAGXCRJBBFW-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(S(N)(=O)=O)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHLQESVKCJRFMO-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)c1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUENEYZWSGTTKF-UHFFFAOYSA-N", "SMILES:CCCNS(=O)(=O)c1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMZXYZSTEKMPDV-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(F)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFDQEPXKZVEOI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Cl)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNYPSLFSFQMIZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Br)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGYRUGRVHDXML-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc([N+](=O)[O-])cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTJPZASHABNDW-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(N)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRCTSSZUDAEOP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKUQCYQGUBKQC-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2c(Cl)cccc2Cl)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWQPUZATHISAHQ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIWFULWGCSWUDL-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Cl)c(F)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWAIYDGUZKUVBC-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRSMNPVSASLYOO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(F)c(F)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRCPJPAOMSQMHC-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(F)c(Cl)c2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKFILOBRTQVISO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CCC2CCCCC2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGVGRVWTGVCNCI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CCc2ccccc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNGIETVRYZEHMZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CCCc2ccccc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAGAQQTWTVGGKA-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CCOc2ccccc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTOXYLKNVJQTN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CCOc2ccc(Cl)cc2)n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQNVQESBMUMMBD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c2nc(NCCc3c[nH]c4ccccc34)n(Cc3ccc(Cl)cc3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDNCLIMLRJBNH-UHFFFAOYSA-N", "SMILES:CCn1c(=O)n(C)c(=O)c2c1nc(NCCc1c[nH]c3ccccc13)n2Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKCCLFRCPHYBHJ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Cl)cc2)n(CC#N)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMTHWPRIPZPRFO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Cl)cc2)n(CC(F)(F)F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZBFFJUROYBQI-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Cl)cc2)n(CCF)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVAYRZTSBQWEF-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Cl)cc2)n(CCO)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNYSLJDMYLMEAP-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)n(C)c(=O)c2c1nc(NCCc1c[nH]c3ccccc13)n2Cc1ccc(Cl)cc1"]}
{"name": "N-arachidonyl glycine receptor", "xref": ["CHEMBL.TARGET:CHEMBL6066225"], "id": "UniProtKB:Q8K1Z6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAGRIWYZGLSYMR-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Cl)cc2)n(Cc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUVYPTUVBVOIOM-NKFKGCMQSA-N", "SMILES:O=C1/C(=C/c2cccc(OCCCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCQJTZGZXHCJX-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCNC(=O)COCc3cc(-c4ccc5c(c4)OCO5)on3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRGHPWIPDPNHPF-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTWPHKRECKSTPY-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccccc3F)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIDOTFRPSMXSI-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccc(Cl)cc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFCCWRNCMYNLH-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccc(Br)cc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQANDEQTDJNQAP-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccc(C#N)cc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWWFGAFXJUIDG-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSLDAMQUYVCUQX-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccc(C(F)(F)F)cc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRVJXBFCALPLFV-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3cc(F)cc(F)c3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTIHJOSHIWTZNC-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3cc(C)cc(C)c3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VULDFSPQSCDKNO-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccc(F)nc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYJXYEUJLBWCTK-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccncc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXWWIVWBSTMRY-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHVTCAHWQAPTI-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCC3CCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKCZAKCXFPZCSC-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCC3CCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXMXBGZGZXQXTF-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCC3CC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJBRZYZVYYJGOC-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCC=C(C)C)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXLUPWSHUIVSG-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLWWTNLJCOAZDS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHQYKRDFMVQUDN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBAPVUSTPVTAQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCBCOWWEOKKXOU-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGESBKYCBJHSLD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFWRPGJJRTTFO-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRPHWPJMQADTTJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFNDKCWJNNPHET-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPJAFWZNOSQXRX-UHFFFAOYSA-N", "SMILES:CCCc1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFRPVHURVWIGJ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YALJPMNXUBLUIT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OARKZHDUETXKCN-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCn1c(SCC2CCCCC2)nc2ccncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKLMSWBXGHJDHO-UHFFFAOYSA-N", "SMILES:CNC(=O)CCn1c(SCC2CCCCC2)nc2ccncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1354818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFXAFPENWWJHO-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCNC(=O)c3nnc(Cc4ccc(F)cc4)o3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEJXXIRCGCJKG-UHFFFAOYSA-N", "SMILES:CCOCCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSZCJSVGYXUJBQ-UHFFFAOYSA-N", "SMILES:CCCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUFQQUNCYRYABT-UHFFFAOYSA-N", "SMILES:CC(C)OCCCn1c(=O)c2ccccc2n2c(CCC(=O)NCc3ccccc3)nnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEEPSTQHLGLIEN-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)COc4ccccc4)n3CCc3ccccc3)C(c3ccc(OC)cc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFWMDGRYTVAOM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CCNC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)c3ccccc3c2=O)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCMIVXUYSUBSV-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJBYAGYAQLISJR-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJMRHVSMGRUFOK-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccc(C)cc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCUAVPNDHDPHT-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccc(OC)cc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCMQLVPXQJIBU-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3cccc(C)c3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSGMYFTUJHNVDT-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3cccc([N+](=O)[O-])c3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVURQNMZRLUXFF-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3cccnc3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQKUUQDDPOJFV-UHFFFAOYSA-N", "SMILES:COCCCNC(=O)c1ccc(Cn2c(SCc3ccccn3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSLDCRSAMXYTJF-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXGZMKYRSGNMK-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBFBLYQLOJWBF-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQNUJMJQAOWDM-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGGDHMJQCNONJW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEJYZXLUVSLQIS-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVOQALSOSMLPMP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOGVCVSJEZBXGU-HOTGVXAUSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)C[C@@H]1C[C@H]1c1cccnc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQGPVBHMYZOSM-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3cccnc3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBNYOARIZPPLRV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)NC1CN(c3cccnc3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFGSQHFGTPYQRA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)OC1CN(c3cccnc3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBXYUIKGOCZRKW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccncn3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUWQXUPCLNYKOT-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3cncnc3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXQNADXYYSMMV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccncc3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMYAYLNHKRKKNL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccccc3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQSVWYMOYUXUOV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccccn3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314557", "category": ["biolink:ChemicalEntity"], "name": "EMRACLIDINE", "xref": ["InChIKey:DTCZNKWBDTXEBS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccnc(C(F)(F)F)c3)C1)C2"], "synonym": ["Cvl-231", "Emraclidine", "Pf-06852231", "CVL-231", "PF-06852231", "Emraclidine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULUSFCZSMPMAV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccnc(C(F)F)c3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCOXCLBONKFIOZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccnc(OC(F)F)c3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJCVUKNPUOCJF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccnc(C#N)c3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIFAYLECLFYIS-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC(CC(=O)N3Cc4nc(C)cc(C)c4C3)C2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXSNCFVFDTWGY-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CC(CC(=O)N3Cc4nc(C)cc(C)c4C3)C2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4089376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYTGOXSAAQWLPJ-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(OCC(=O)N2CCN(C)CC2)nc2sc(C(=O)NC3CC3)c(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGIQBUNWFCCMAS-UHFFFAOYSA-N", "SMILES:COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5438915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAKZYGLQCHMNGS-UHFFFAOYSA-N", "SMILES:O=C1CCC(c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVCUEWZCGMZLHG-UHFFFAOYSA-N", "SMILES:COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(=O)CCCCCCCCNC(=O)COc1ccc(C2CCC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107417", "category": ["biolink:ChemicalEntity"], "name": "LEVLOFEXIDINE", "xref": ["InChIKey:KSMAGQUYOIHWFS-SSDOTTSWSA-N", "SMILES:C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1"], "synonym": ["Levlofexidine", "Levlofexidina", "Lofexidine, (r)-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5556741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGZGGAMXIYZLY-UHFFFAOYSA-N", "SMILES:CC(c1cccc(C2(C(F)(F)F)N=N2)c1)c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594267", "category": ["biolink:ChemicalEntity"], "name": "TASIPIMIDINE", "xref": ["InChIKey:GHIKYGQWBRHEGU-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CCOC2C1=NCCN1"], "synonym": ["Tasipimidine", "Tasipimidina", "ODM-105", "ORM-19695", "Tasipimidine"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZSQSLQSMKNVBV-NSHDSACASA-N", "SMILES:C[C@H](c1c[nH]cn1)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLAHEXULHVZYHT-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3ccncc3)cncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYDOWYCHIWNYQO-UHFFFAOYSA-N", "SMILES:Clc1cccc2c(Nc3ccncc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOJPEWKNYNURQQ-UHFFFAOYSA-N", "SMILES:C1=C(c2ccc3c(c2)CC3)CNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGXYGEYUGTVZAR-GFCCVEGCSA-N", "SMILES:NC1=N[C@]2(CCc3cccc(Cl)c3C2)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL778", "category": ["biolink:ChemicalEntity"], "name": "DEXMEDETOMIDINE", "xref": ["InChIKey:CUHVIMMYOGQXCV-NSHDSACASA-N", "SMILES:Cc1cccc([C@H](C)c2c[nH]cn2)c1C"], "synonym": ["Dexmedetomidine", "Dexmedetomidine", "Dexmedetomidine", "Dexmedetomidina", "Dexmedetomidine", "Dexmedetomidine", "Medetomidine, (s)-", "MPV-1440", "Dexmedetomidine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5532220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUGZPARCBDSBC-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(c1c[nH]cn1)=CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUZBOZKRIASREC-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)C(c1c[nH]cn1)=CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLNTEZBJOJGMW-UHFFFAOYSA-N", "SMILES:Fc1cccc2c1OCC=C2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMRVYZVSXORHLC-UHFFFAOYSA-N", "SMILES:Clc1cccc2c1OCC=C2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCEYEOYPGNNFON-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1OCC=C2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLSUSTMIOQXQLQ-UHFFFAOYSA-N", "SMILES:Brc1cccc2c1OCC=C2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRPFGFXFABIHOQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)C(c1c[nH]cn1)=CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHFAPDDATYDLOL-UHFFFAOYSA-N", "SMILES:Fc1cc(Br)c2c(c1)C(c1c[nH]cn1)=CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCKARUGRRCBJE-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)c2c(c1)C(c1c[nH]cn1)=CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATQVVXYXOQMEIG-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1Br)OCC=C2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHIKOXIXWLMCV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(c1c[nH]cn1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQHLEIJKAVOGDJ-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)C(c1c[nH]cn1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAHPYONDCZCNKQ-UHFFFAOYSA-N", "SMILES:Brc1ccc2c(c1)C(c1c[nH]cn1)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAXYSCALCYALHW-UHFFFAOYSA-N", "SMILES:Brc1ccc2c(c1)OCCC2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANOVJFIFRKWFK-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)OCCC2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFHMVMTWNSMUHJ-UHFFFAOYSA-N", "SMILES:Fc1cccc2c1OCCC2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDHLENADVHBGDN-UHFFFAOYSA-N", "SMILES:Clc1cccc2c1OCCC2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBVHDZOBKFZHJY-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1OCCC2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDYNCVBGLQHJIS-UHFFFAOYSA-N", "SMILES:Brc1cccc2c1OCCC2c1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQCCZHCFBHTTD-OAHLLOKOSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPYRMBPTPKKOH-MRXNPFEDSA-N", "SMILES:O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSZXLOCVXSAION-MRXNPFEDSA-N", "SMILES:Fc1ccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTOGNIYSSZSJPM-INIZCTEOSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(Cc3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POCVARPLGBKELZ-KRWDZBQOSA-N", "SMILES:O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nc(Cc3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKADDNBFRJRJEG-KRWDZBQOSA-N", "SMILES:Fc1ccc(Cc2noc([C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL381055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQCCZHCFBHTTD-HNNXBMFYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQWWSHUUYNEGE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CC(c2nc(Cc3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTHVQOIQNZUPBP-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)N1CC(c2nc(Cc3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBWLLFSWKTLRZ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CC(c3nc(Cc4ccc(F)cc4)no3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVSNIKKIYYRCH-HNNXBMFYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CC[C@H](c2nc(Cc3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INARWJWUTIWBEX-INIZCTEOSA-N", "SMILES:O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc(Cc3ccc(F)cc3)no2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBLMEAVMNILIZ-GOSISDBHSA-N", "SMILES:Fc1ccc(Cc2noc([C@H]3CCCN3Cc3ccc(F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKVHLOKYKNXEN-GOSISDBHSA-N", "SMILES:Fc1ccc(Cc2noc([C@H]3CCCN3Cc3ccc(C(F)(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPRQNCNPRBMBIY-LJQANCHMSA-N", "SMILES:N#Cc1cccc(CN2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVMNUYNAAXRBEF-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cc2noc(C3CCN(Cc4ccc(F)cc4)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCARTQIZTZPDRK-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cc2noc(C3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKCHHWCNTTYIEM-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(F)cc4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHWOUORXFNLMIY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(F)cc1)N1CCC(c2nc(Cc3ccc(F)cc3)no2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGOBAJOQCOWUFL-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)N2CCC(c3nc(Cc4ccc(F)cc4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSRFQYBGUUDQOQ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CC(=O)N2CCC(c3nc(Cc4ccc(F)cc4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUWAAOXIAMYJO-UHFFFAOYSA-N", "SMILES:O=C(NCCc1nc(Cc2ccc(F)cc2)no1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGELNEOKJSZKIJ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(C(=O)NCCc2nc(Cc3ccc(F)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYUTXNXAVLEJSR-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCc1nc(Cc2ccc(F)cc2)no1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRYSZJZFEZSERR-UHFFFAOYSA-N", "SMILES:O=C(NCCc1nc(Cc2ccc(F)cc2)no1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCHLIQIXJVOKLU-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(F)c(F)c4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCBJQUYCNSOTO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(Cl)cc4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYHLEUKYCLNNMU-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4cccc(C(F)(F)F)c4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOECXFGWDHVRDS-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cc2noc(C3CCN(Cc4cccc(C#N)c4)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNQWDAUTQGSQS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(C(F)(F)F)cc4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYRPLQYNEBCELI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccccc4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRWFJFPJHTGFY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQRLAIPAVJKEPN-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFBDHOMRIVAAS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(F)c(Br)c4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQDDFZAFPKURC-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(Cl)cc4F)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URAWRDHOVRUQBC-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4cc(F)c(F)c(F)c4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFSXOCWLUMHMTC-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4c(F)c(F)c(F)c(F)c4F)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMEBAPKTQLGKLO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4cccc(F)c4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFMTMQGUCQLLJ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccccc4F)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSEGCFMQGRSOLS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(F)cc4F)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQUNJIBRIRZNL-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4cc(F)cc(F)c4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHISQWLRIJQRGX-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4cccc(F)c4F)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXLBGSLFBPJJPW-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4cc(F)ccc4F)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQNYRWQVZYAQHY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(F)cc4Br)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRMBRLJCVAMKN-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(F)c(Cl)c4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFTQSJYHUKUCFD-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(F)cc4Cl)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWVIDNRAMLJIL-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(Br)cc4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKCMTOTZFQNNJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cc1noc(C2CCN(Cc3cccc(C#N)c3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOYDELGYCIJTA-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(Cl)c(F)c4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYQIZPHYMHWSSY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(Br)c(F)c4)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWEACKOZAHICRO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(Br)cc4F)no3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCELOKKURYMVAH-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cc2noc(C3CCN(Cc4cccnc4)CC3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTFGOYFTMYBJCN-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cc2noc(C3CCN(Cc4ccccn4)CC3)n2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3919512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBLOHCIYTDRGJH-UHFFFAOYSA-N", "SMILES:COCCN(CCOC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(Cc3ccccc3Cl)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFSBCTJHGXMEMF-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc2[nH]cnc12)c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHIQOPJTDUKVBC-UHFFFAOYSA-N", "SMILES:CC(Nc1nc(N)nc(N)c1C#N)c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFTKJBZLQYMRLA-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc(N)c1C#N)c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSLXGJIKQCTSBV-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2cnn(Cc3ccccc3)c(=O)c2C2CCCC2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPIJAERGGACDCJ-UHFFFAOYSA-N", "SMILES:CC(c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNLTPZVKYHLED-UHFFFAOYSA-N", "SMILES:CC(c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1)n1nc(-c2cncc(O)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNLTPZVKYHLED-KRWDZBQOSA-N", "SMILES:C[C@@H](c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1)n1nc(-c2cncc(O)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNLTPZVKYHLED-QGZVFWFLSA-N", "SMILES:C[C@H](c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1)n1nc(-c2cncc(O)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAHZLSFHRMPBC-UHFFFAOYSA-N", "SMILES:CC(c1cnn(Cc2ccccc2)c(=O)c1-c1ccccc1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUYMDDQIUARMV-UHFFFAOYSA-N", "SMILES:CC(c1cnn(C(C)(C)C)c(=O)c1-c1ccccc1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDMBFJMNSFRWBW-UHFFFAOYSA-N", "SMILES:CC(c1cnn(C(C)(C)C)c(=O)c1C1=CCCNC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKQXBORIBUYFH-UHFFFAOYSA-N", "SMILES:CC(c1cnn(C(C)(C)C)c(=O)c1Cl)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKQXBORIBUYFH-JTQLQIEISA-N", "SMILES:C[C@@H](c1cnn(C(C)(C)C)c(=O)c1Cl)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEBPOCCHASXNC-LBPRGKRZSA-N", "SMILES:Cc1c([C@H](C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cnn(C(C)(C)C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJATRNNTCTAEP-ZDUSSCGKSA-N", "SMILES:CC#Cc1c([C@H](C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cnn(C(C)(C)C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEJFXIGAUIHDSN-JTQLQIEISA-N", "SMILES:C[C@@H](c1cnn(C(C)(C)C)c(=O)c1N)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGRAQRKVVAFNU-NSHDSACASA-N", "SMILES:COc1c([C@H](C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cnn(C(C)(C)C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUUPLFMLATBQZ-AWEZNQCLSA-N", "SMILES:COc1c([C@H](C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cnn(CCN2CCOCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUWZDMJNUSMSPQ-AWEZNQCLSA-N", "SMILES:COc1c([C@H](C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cnn(CCN(CCO)CCO)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCQMQXKMJGQRCE-UHFFFAOYSA-N", "SMILES:CC(c1cnn(C(C)(C)C)c(=O)c1N1CCOCC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODTDAIBUJSWLRR-UHFFFAOYSA-N", "SMILES:CC(c1cnn(C(C)(C)C)c(=O)c1OCCN(C)C)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVQZONWYMNTJE-UHFFFAOYSA-N", "SMILES:CC(c1cnn(C(C)(C)C)c(=O)c1N(CCO)CCO)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTLPEAIILRIPV-INIZCTEOSA-N", "SMILES:C[C@@H](c1cnn(C(C)(C)C)c(=O)c1OCCN1CCOCC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHJBWCRLCNYDS-INIZCTEOSA-N", "SMILES:C[C@@H](c1cnn(C(C)(C)C)c(=O)c1OCCN(CCO)CCO)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSXCJDIOBXMDKV-INIZCTEOSA-N", "SMILES:C[C@@H](c1cnn(C(C)(C)C)c(=O)c1OCCN1CCS(=O)(=O)CC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKSMDIUBRWDDEV-INIZCTEOSA-N", "SMILES:C[C@@H](c1cnn(C(C)(C)C)c(=O)c1SCCN(CCO)CCO)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1213083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMYTDJYDSTEMB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1c(CSc2ncnc3[nH]cnc23)nc2cccc(Cl)c2c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5555725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJNXLXCGWQXVAL-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUMRDOUJIPEGMP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4oc(-c5ccccc5)c(-c5ccccc5)c34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTVFIFXMZHHAF-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBBRIGNNQUHMN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQQLGHNROLBPW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4oc(-c5ccccc5)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVVUXHJFRDIDA-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Nc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMCDBUIAXGQNY-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEAJWUKNRWPSCI-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2c(-c3cn[nH]c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCGOROUZONSZHC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2cccc(N)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JITFHFSUXWQAPS-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1oc2ncnc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c2c1-c1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYYUIIBSKPSCD-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2c(-c3cc[nH]n3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJTUUVXTQQTMTB-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2c(-c3ccsc3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBJKVMWEQKJFY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USGGKJZAODNEBP-UHFFFAOYSA-N", "SMILES:CNc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBBFRFFVOXSJOR-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCACITXFCPZQQ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2cccc(CN)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBNHZZNPPBHBE-UHFFFAOYSA-N", "SMILES:CNCc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDFMNJNVUENSH-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWGQOPSCIYJJG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2cccc(N3CCNCC3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTBNTDYEJRQXQB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(-c3c(-c4cnn(C)c4)oc4ncnc(Oc5ccc(NC(=O)c6cccn(-c7ccc(F)cc7)c6=O)cc5)c34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOJPBWFDKHWTR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2ccccc2N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJVOXPBGMZCIJM-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2ccc(N)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFDWKMREXUNRTL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWNYLFPOEAFAPH-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2c(-c3cnn(C)c3)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQTQDOHPJHEUPU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2ccc(N3CCNCC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPLGAASDZAAKLR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3c(-c4cnn(C)c4)oc4ncnc(Oc5ccc(NC(=O)c6cccn(-c7ccc(F)cc7)c6=O)cc5)c34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSJDAGGMIFURQV-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2coc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRRDEVCMPKUGEA-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2c(Br)oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQIVRGUWXKHLHL-UHFFFAOYSA-N", "SMILES:Cc1oc2ncnc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c2c1-c1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONSDDNVWDBZUJU-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1-c1oc2ncnc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3)c2c1-c1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBEKTQZNBOIUQG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSOMAADECRYURD-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NC(=O)c2cccc3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWMBRJLJBCBOE-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NC(=O)c2cccc3c2OCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNNXCRHTVBUXAF-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQXHQNPLMGPLHK-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFZWHWEPBBWKU-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCC3(CC2)OCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVWABJKQJROGD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBGZQUFLKYLTP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)n3nc(-c4cccnc4)nc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCQJETGVKCALGK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)n3nc(-c4ccncc4)nc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARCFZZVBSDZBS-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1cccc(N2CCC3(CC2)OCCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRJYLUJRNFPSNR-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)c1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAXDBFWDTJFBLR-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(CCO)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDOZJCQAOOFURA-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITGEWSRTUAHPW-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVGNHMUEHFRMDZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)n2nc(-c3ccccn3)nc2N)ccc1N1CCN(C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRVVCFBLCAEAJL-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)n2nc(-c3ccccn3)nc2N)ccc1N1CCN(C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYZNYKXIBINGW-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccc(F)cn4)nc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQBHPDOLPZWZOH-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccc(Cl)cn4)nc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIOGCSRFRGENP-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAWMHXVTPZRSI-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3c2OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSGBNZYBXZBIP-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3CC3)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPDOPYXHPFECBW-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3COC3)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANQRKNCAVXXOTC-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3CCCC3)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIMSDLRTENJSRZ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3CCCCC3)CC2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFINMXJTXCJNRA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQFKBDBHPWVXBL-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMKLOIDZBNHGIV-UHFFFAOYSA-N", "SMILES:CC(C)N1CCCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYNKFLWABFRHE-BESSAKRQSA-N", "SMILES:C[C@H]1N=C(N2CCN(C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSLCEFIEDDAEK-AWEZNQCLSA-N", "SMILES:Cc1cc(N2CCn3c(nnc3C(F)(F)F)[C@@H]2C)ncc1CNc1cccc2c(N)nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHRJDUDXRVEJDI-UHFFFAOYSA-N", "SMILES:Nc1nccc2c(NCC34COC(COc5ccn6ccnc6c5)(C3)C4)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBCJZFVKXOFDPH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SALPUEVIRHQURR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3ccn(C)c3c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTSMWGDXUVYPU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFEKBLCQAISMRM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(-c4ccc(F)nc4)cn(C)c3c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHYSXEXJCJFWPA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(-c4cccnc4F)cn(C)c3c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UERQORWNFBAHGO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(C)c3cc(NC(=O)c4ccc(C)c(C#Cc5cnc6cccnn56)c4)ccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIHJOSHULIPLE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(-c4cccc(C#N)c4)cn(C)c3c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAZDNBXTKMCCKK-UHFFFAOYSA-N", "SMILES:COCOc1ccc(-c2cn(C)c3cc(NC(=O)c4ccc(C)c(C#Cc5cnc6cccnn56)c4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHPRHXVRAXOPT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(-c4ccc(C#N)cc4)cn(C)c3c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIUXXQXGUJHBAM-UHFFFAOYSA-N", "SMILES:COCCOc1ccc(-c2cn(C)c3cc(NC(=O)c4ccc(C)c(C#Cc5cnc6cccnn56)c4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSUITYDJFIGIZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(-c4ccc(OC(C)(C)C)cc4)cn(C)c3c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRWZFNCLRHYAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(-c4ccc5c(c4)OCCO5)cn(C)c3c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHMDTMOYGWGAH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(-c4ccc(N5CCOCC5)cc4)cn(C)c3c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBGILWOPVKPTB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(-c4ccc(N5CCN(C)CC5)cc4)cn(C)c3c2)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGRIQCUKPKXWGH-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc(F)nc2)c2ccc(NC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCHXDAPMJJTOHG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(-c4ccc(F)nc4)cn(C)c3c2)cc1C#Cc1ccnc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJTSNJPUOXYBQX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(-c4ccc(F)nc4)cn(C)c3c2)cc1C#Cc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOSUWBQNUKVUJH-UHFFFAOYSA-N", "SMILES:COCOc1ccc(-c2cn(C)c3cc(NC(=O)c4ccc(C)c(C#Cc5ccnc6[nH]ncc56)c4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNHYBNQAHAEDU-UHFFFAOYSA-N", "SMILES:COCOc1ccc(-c2cn(C)c3cc(NC(=O)c4ccc(C)c(C#Cc5ccc(NC(C)=O)nc5)c4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIRDXWGFRUABMX-UHFFFAOYSA-N", "SMILES:COCOc1ccc(-c2cn(C)c3cc(NC(=O)c4ccc(C)c(C#Cc5cnc6[nH]ncc6c5)c4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZCVJRGJCUWMV-QGZVFWFLSA-N", "SMILES:COCOc1cc(OCOC)c2c(c1)O[C@@H](c1ccc(OC)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLZZELRNWJOBBR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2c(c1)CCC(CN1CCN(c3ccc(C(=O)O)c(Oc4cnc5[nH]ccc5c4)c3)CC1)=C2c1ccc(Cl)cc1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRSFOWXDILANK-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc2c(c1)CCC(CN1CCN(c3ccc(C(=O)O)c(Oc4cnc5[nH]ccc5c4)c3)CC1)=C2c1ccc(Cl)cc1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRRFNIXPZZEMDA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(Cc1ccc(OC)cc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOPBNUIGSNDLOF-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(Cc1ccccc1OCC(N)=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVBFZZUXFDICES-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CN2CCCC2)ccc1-c1ccc(OC)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWMKFNARUKLWKV-UKRRQHHQSA-N", "SMILES:C=CC(=O)N1C[C@@H](Oc2cc(Cl)c(F)cc2C#N)[C@H]1CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMQUYMYEAYAOA-INIZCTEOSA-N", "SMILES:C=CC(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPYDGKFNSYFGLT-GFCCVEGCSA-N", "SMILES:C=CC(=O)N1CCC[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLGMFHQGRAHAO-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"name": "Probable G-protein coupled receptor 132", "xref": ["CHEMBL.TARGET:CHEMBL3085618"], "id": "UniProtKB:Q9UNW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLGMFHQGRAHAO-FQEVSTJZSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLGMFHQGRAHAO-HXUWFJFHSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODRFIMKPHNRVES-NRFANRHFSA-N", "SMILES:O=C(N[C@@H](CCc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODRFIMKPHNRVES-OAQYLSRUSA-N", "SMILES:O=C(N[C@H](CCc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGMCYVZXFZRBOY-LJQANCHMSA-N", "SMILES:O=C(N[C@@H](C(=O)O)c1ccccc1)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNZOYVOZZVRHZ-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccc(F)cc1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDDVZGKIEPUAGZ-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccc(OC(F)(F)F)cc1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCSQQHYZXHSGZ-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccccc1Cl)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJPOWHNDITYDZ-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)C(NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMQRDSSELZALR-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccncc1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMPCDMOMUACQH-UHFFFAOYSA-N", "SMILES:O=C(NC(C(=O)O)c1cccnc1)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVHIUCRLOACSMB-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cccc(OCc2cccnc2)c1)(C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFNBFRMAGUCXKH-FQEVSTJZSA-N", "SMILES:O=C(N[C@@H](CC1CCCCC1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGBSIBSFWYCQS-LLVKDONJSA-N", "SMILES:C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGLHGHJWPMVVAE-INIZCTEOSA-N", "SMILES:CC(C)[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGLHGHJWPMVVAE-MRXNPFEDSA-N", "SMILES:CC(C)[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEGPDSCMFYYZLW-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLWIFQUSKWUCW-UHFFFAOYSA-N", "SMILES:CCCC(NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMUUNWWSAPZBF-WEHONNDLSA-N", "SMILES:C[C@H]1CC[C@@](NC(=O)c2cccc(OCc3cccnc3)c2)(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHOYBPFQBYQELG-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)O)CCCCC1)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLRQCZQJLRXMND-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLWIFQUSKWUCW-MRXNPFEDSA-N", "SMILES:CCC[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLWIFQUSKWUCW-INIZCTEOSA-N", "SMILES:CCC[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHMVDPCZGLISFO-HXUWFJFHSA-N", "SMILES:O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSRSJTKAAMLBIP-HXUWFJFHSA-N", "SMILES:O=C(N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O)c1cccc(OCc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSQOBPGDJXGCCT-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccccc1)C(=O)O)c1cccc(OCc2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAVHKABOXOYUIP-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccccc1)C(=O)O)c1cccc(OCc2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTTZULDZFWIHJ-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccccc1)C(=O)O)c1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBMNZKVNAIGIJX-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(OCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDSHTNEKLQQIJ-ZJHFMPGASA-N", "SMILES:CCCCC/C=C\\C=C\\C(O)CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFULPGUTXZTYKA-UHFFFAOYSA-N", "SMILES:O=C1C2=C(CCN(Cc3ccccc3)C2)N2CCN=C2N1Cc1ccc(C(F)(F)F)cc1"]}
{"name": "Probable G-protein coupled receptor 132", "xref": ["CHEMBL.TARGET:CHEMBL5724691"], "id": "UniProtKB:Q9Z282", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDSHTNEKLQQIJ-UINYOVNOSA-N", "SMILES:CCCCC/C=C\\C=C\\[C@@H](O)CCCCCCCC(=O)O"], "chembl_natural_product": true}
{"name": "Chemerin-like receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL4523229"], "id": "UniProtKB:P46091", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INSCZPAHMNJPMU-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)c(Cl)c1"]}
{"name": "Beta-1,3-glucuronyltransferase 3", "synonym": ["Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 3"], "xref": ["CHEMBL.TARGET:CHEMBL3958"], "id": "UniProtKB:O94766", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLPINGCHQBYDI-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2=O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNOCDTXAZUSCO-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4c(c3)CCC4)C2=O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SETDBJIWSXKPDC-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCC(NC(=O)C(=O)c3c[nH]c4ccc(Br)cc34)C2=O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSATYRRCVARMFY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2[nH]cc(C(=O)C(=O)NC3CCN(c4ccc(C)cc4Cl)C3=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTGQJTPEWITNSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2c(ccc3ccccc32)s1)C(=O)Nc1nc2c(ccc3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEHUZVBIUCAMRZ-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLPONTZJGJQVGB-UHFFFAOYSA-N", "SMILES:CCCc1cc2ccccc2c2c1OP(=O)(O)Oc1c(CCC)cc3ccccc3c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1554297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLPAIZCRXBEKDM-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3ccccc3)cc3ccccc3c2-c2c(c(-c3ccccc3)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOZHEMVYVCNLO-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3ccc(-c4ccccc4)cc3)cc3ccccc3c2-c2c(c(-c3ccc(-c4ccccc4)cc3)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHLZSTKPUGDSET-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3ccc4ccccc4c3)cc3ccccc3c2-c2c(c(-c3ccc4ccccc4c3)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLYOKZNBLPQLJA-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3cccc4ccccc34)cc3ccccc3c2-c2c(c(-c3cccc4ccccc34)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUYAYNQARHDBI-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(C3=C4C=CC=C5C=CC6=C(C(=C3)CC=C6)C54)cc3ccccc3c2-c2c(c(-c3cc4cccc5ccc6cccc3c6c54)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLMLOSHPJMFGTF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc3ccccc3c3c2OP(=O)(O)Oc2c(-c4ccc(C(C)(C)C)cc4)cc4ccccc4c2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHRXFMNUFLRKPO-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3ccc(Cl)cc3)cc3ccccc3c2-c2c(c(-c3ccc(Cl)cc3)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDZKXOOVOFEOOT-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc3ccccc3c3c2OP(=O)(O)Oc2c(-c4ccc(N(C)C)cc4)cc4ccccc4c2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMFCMZAWCJQSOI-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3ccsc3)cc3ccccc3c2-c2c(c(-c3ccsc3)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBMORTVUTVVINK-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3ccc(F)cc3)cc3ccccc3c2-c2c(c(-c3ccc(F)cc3)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEQPKGCERGFRD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cc3ccccc3c3c2OP(=O)(O)Oc2c(-c4ccc(C(=O)OC)cc4)cc4ccccc4c2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZAHTRYNNHMVQN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3ccccc3c3c2OP(=O)(O)Oc2c(-c4ccc(OC)cc4)cc4ccccc4c2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPUXDXSXHXKCN-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc2ccccc2c2c1OP(=O)(O)Oc1c(-c3ccccc3OC)cc3ccccc3c1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSTDSIUSLNRVAY-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3ccccc3c3c2OP(=O)(O)Oc2c(-c4cccc(OC)c4)cc4ccccc4c2-3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEKIZFBSHSYXTL-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3ccc(O)cc3)cc3ccccc3c2-c2c(c(-c3ccc(O)cc3)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLFGFQNQAYRAE-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3cccnc3)cc3ccccc3c2-c2c(c(-c3cccnc3)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNOJMGSJIOXDMK-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3ccoc3)cc3ccccc3c2-c2c(c(-c3ccoc3)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSPHQLADKTFJC-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(-c3ccc4occc4c3)cc3ccccc3c2-c2c(c(-c3ccc4occc4c3)cc3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYFOVKZNOCUXMV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3ccccc3c3c2OP(=O)(O)Oc2c(-c4ccc(C)cc4)cc4ccccc4c2-3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAASTOCNAXSSIQ-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2cc(-c3ccccc3)c3ccccc3c2-c2c(cc(-c3ccccc3)c3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHIGJAHNYPYEAS-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2ccc3cc(-c4ccccc4)ccc3c2-c2c(ccc3cc(-c4ccccc4)ccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDRHUSGPHAFBIQ-UHFFFAOYSA-N", "SMILES:O=P1(O)Oc2c(c3ccccc3c3ccccc23)-c2c(c3ccccc3c3ccccc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJJHMXSUMGACF-UHFFFAOYSA-N", "SMILES:O=P(O)(Oc1cc2ccccc2cc1-c1ccccc1)Oc1cc2ccccc2cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMVAHOBNRUWCRS-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2nc3c4cc(OCC(=O)NCCOCCOCCOCCOc5ccc(-c6cc7ccccc7c7c6OP(=O)(O)Oc6c(-c8ccccc8)cc8ccccc8c6-7)cc5)ccc4c(=O)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBENLJZMGJPHFE-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2nc3c4cc(OCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOc5ccc(-c6cc7ccccc7c7c6OP(=O)(O)Oc6c(-c8ccccc8)cc8ccccc8c6-7)cc5)ccc4c(=O)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIFIMUKJCHJKG-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2nc3c4cc(OCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc5ccc(-c6cc7ccccc7c7c6OP(=O)(O)Oc6c(-c8ccccc8)cc8ccccc8c6-7)cc5)ccc4c(=O)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSKJJZXIXRHSLT-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2nc3c4cc(OCC(=O)NCCCOc5ccc(-c6cc7ccccc7c7c6OP(=O)(O)Oc6c(-c8ccccc8)cc8ccccc8c6-7)cc5)ccc4c(=O)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQYQMGDQSCNOGT-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2nc3c4cc(OCC(=O)NCCCCCOc5ccc(-c6cc7ccccc7c7c6OP(=O)(O)Oc6c(-c8ccccc8)cc8ccccc8c6-7)cc5)ccc4c(=O)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRRZZRKWKXGBOQ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2nc3c4cc(OCC(=O)NCCOCCOCCOCCOc5ccc(-c6cc7ccccc7c7c6OP(=O)(O)Oc6c(-c8ccc(OC)cc8)cc8ccccc8c6-7)cc5)ccc4c(=O)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTYJXHSRLCXUAP-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2nc3c4cc(OCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOc5ccc(-c6cc7ccccc7c7c6OP(=O)(O)Oc6c(-c8ccc(OC)cc8)cc8ccccc8c6-7)cc5)ccc4c(=O)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUXVJYSFWXMLLN-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2nc3c4cc(OCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc5ccc(-c6cc7ccccc7c7c6OP(=O)(O)Oc6c(-c8ccc(OC)cc8)cc8ccccc8c6-7)cc5)ccc4c(=O)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDVAERYHASIFG-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2nc3c4cc(OCC(=O)NCCCOc5ccc(-c6cc7ccccc7c7c6OP(=O)(O)Oc6c(-c8ccc(OC)cc8)cc8ccccc8c6-7)cc5)ccc4c(=O)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5554981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSRXYEKLXWOOQH-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2nc3c4cc(OCC(=O)NCCCCCCOc5ccc(-c6cc7ccccc7c7c6OP(=O)(O)Oc6c(-c8ccc(OC)cc8)cc8ccccc8c6-7)cc5)ccc4c(=O)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGZAKEMBBVHPAX-NHCUHLMSSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)c3ncoc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OERQLRUAWPTFPF-KFKAGJAMSA-N", "SMILES:COc1cc(-c2ccc(O[C@@H](C)C(F)(F)F)nc2)ccc1N(CCOC(F)F)C(=O)[C@@H]1C[C@H]1c1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNHTPRUIXUKRC-CWFSZBLJSA-N", "SMILES:C[C@H](Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)cc2)cn1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDWXBPNOYMDAJW-NHCUHLMSSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYYLNAFSLFKJB-DHIUTWEWSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPOFCGCNFMLZGN-XFCHPVOQSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccncn1)c1ccc(-c2ccc(O[C@@H](C)C(F)(F)F)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELIXGHDBMJDQI-RKNIQEAPSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccncn1)c1ccc(-c2ccc(OC(C)C)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPMOJUDBZJJCQG-XPNIBREUSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHPQYGNRTQTQNA-ZONZVBGPSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(C[C@@H](N)C3CCC3)C(=O)[C@@H]3C[C@H]3c3ccncn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBALMORVBSHMJ-XPNIBREUSA-N", "SMILES:COCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]3C[C@H]3c3ccncn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPUUILJXOFEAND-VXGBXAGGSA-N", "SMILES:O=C([C@@H]1C[C@H]1c1ccncn1)N(CCOC(F)F)c1cccc2ocnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZJPCUQQPJJBTP-FGZHOGPDSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)c3c2cnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMIBMXOVGMLLD-NTMFSWBNSA-N", "SMILES:COc1cc(-c2ccc(OC(C)C)cc2)ccc1N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]1C[C@H]1c1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHUGEXCYLOKTJZ-NHCUHLMSSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)c3ocnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YESUKOBOZFHNEP-FGZHOGPDSA-N", "SMILES:Cc1nc2c(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)ccc(-c3ccc(OC(C)C)cc3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXUAQSMUTKCCQT-NHCUHLMSSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)c3oncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYIGQCKYVMHQRS-WOJBJXKFSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)n3nnnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHGNBAMTMHRZBM-WOJBJXKFSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)c3ncnn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYTMGQQMENRSRX-NHCUHLMSSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)n3ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACHFLGJNEURKJU-NHCUHLMSSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)c3c2nnn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXYMPIYHDOSSD-NHCUHLMSSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)c3nccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STPVXQQCBVVGIR-ZLGUVYLKSA-N", "SMILES:C[C@H](Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)c3c2cnn3C)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCAACZBTMGEAQC-KFKAGJAMSA-N", "SMILES:C[C@H](Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)c3c2cnn3C)cn1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXDJRSCZZDSDTN-PWIZWCRZSA-N", "SMILES:Cc1nn(C)c2c(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)ccc(-c3ccc(O[C@@H](C)C(F)(F)F)nc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJWHLLDWGICLE-UJTWYAIMSA-N", "SMILES:CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccncn1)c1ccc(-c2ccc(OC(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVLKJMISVRWLH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=O)NC2CNC2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDMYEUWTCMKFI-VEIFNGETSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=O)N[C@@H]2CCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWDMYEUWTCMKFI-BDQAORGHSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=O)N[C@H]2CCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENHNYXKJORLCO-ZMBIFBSDSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=O)N[C@@H]2CCCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKVFENLQPYPREL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=O)N2CCNCC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESMAXSIRVCXAA-FYZYNONXSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=O)N2CCN[C@@H](C)C2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFILTTOKDSFSOC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=O)N2CCNCC2C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYGFQZGTYVMSO-VZYDHVRKSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=O)N(C)[C@@H]2CCCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLQPASWDGCIGM-ZMBIFBSDSA-N", "SMILES:CCCCCCCCCCc1ccc(C(=S)N[C@@H]2CCCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLOCRNSWKEQDS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)OCCCN)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUNYQDGLDDBCD-VEIFNGETSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)O[C@@H]2CCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTUNYQDGLDDBCD-BDQAORGHSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)O[C@H]2CCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKUMPBDVGEIGU-ZMBIFBSDSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)O[C@@H]2CCCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKUMPBDVGEIGU-BOXHHOBZSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)O[C@H]2CCCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZJKZWYNFOELID-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)OC2CCNCC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLAPDFNQZNQQS-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)NCCCN)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQEWGFUZTOGHPA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)NC2CNC2)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRZDAISALVJMD-VEIFNGETSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)N[C@@H]2CCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRZDAISALVJMD-BDQAORGHSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)N[C@H]2CCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGYYDXIHQOAIZ-ZMBIFBSDSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)N[C@@H]2CCCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGYYDXIHQOAIZ-BOXHHOBZSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)N[C@H]2CCCNC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUOYMFLZSZFBAH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)N2CCC(N)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCMYELDGBFMXIG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)N2CCNCC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSKLPLQSAKYQJ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)N2CC3CCC(C2)N3)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICSVHJWMRJNZGT-FSRHSHDFSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)N2CCN[C@H](C)C2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCNFAYACASJQPV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1ccc(NC(=O)N2CCCNCC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3182437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUIRVWPJNKZOSS-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVCJEDLGJGHLJM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095186", "category": ["biolink:ChemicalEntity"], "name": "KSQ-4279", "xref": ["InChIKey:KCBWAFJCKVKYHO-UHFFFAOYSA-N", "SMILES:COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMUWBFKMLGLUTF-KNUWZQJKSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC(=O)c2ccc3cc(F)ccc3n2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZRRPADJRWWIE-UHFFFAOYSA-N", "SMILES:COc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUSTYNWPHOYFQR-UHFFFAOYSA-N", "SMILES:O=C(Cn1cccc([N+](=O)[O-])c1=O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWHNEYAANMETIA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc3c(n2)N(C)CN(c2c(Cl)cccc2Cl)C3=O)ccc1C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095223", "category": ["biolink:ChemicalEntity"], "name": "AZD-9574", "xref": ["InChIKey:WXRCLFFPZXJCLS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1"], "synonym": ["Azd-9574", "AZD9574"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWUBRBMMNTBRZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(=O)n(Cc3cnc(C)s3)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4287730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQYWMELDXMRFKZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4290954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRYOZHNFLYWFP-UHFFFAOYSA-N", "SMILES:Cc1ncc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(CC3CC3)c2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297629", "category": ["biolink:ChemicalEntity"], "name": "NEDISERTIB", "xref": ["InChIKey:MOWXJLUYGFNTAL-DEOSSOPVSA-N", "SMILES:COc1ccc([C@@H](O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1"], "synonym": ["Nedisertib", "Peposertib", "M3814", "Msc2490484a", "Nedisertib", "Peposertib", "M-3814", "M3814", "MSC 2490484A", "MSC-2490484A", "MSC2490484A"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPIFDHNNWOIDD-UHFFFAOYSA-N", "SMILES:CC(C)NCCOc1ncc(-c2cc3c4c(cnc3cc2F)N(C)C(=O)C42CCC2)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSBIXXNGKLUEIP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDSZQNGAHMOWRX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKMNVYJTFLDKOE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Cc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMNZORWOIDNXTR-UHFFFAOYSA-N", "SMILES:C[S+]([O-])Cc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFYBPDKHUOVNDW-UHFFFAOYSA-N", "SMILES:CP(C)(=O)Cc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRQKEJNYMBOJHJ-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(CCO)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIBPVPPHNFRNBI-UHFFFAOYSA-N", "SMILES:CC(C)(O)Cc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHWTUPXMTPSLEM-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWDZBVVAOMPNNO-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USLSSEOXUBOLBE-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-c4cnn[nH]4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRLDGUQGHIEJIF-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-n4ccnn4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOLTHLAFJIEPM-UHFFFAOYSA-N", "SMILES:Cc1nncn1-c1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQPBEDNLLJWNDR-UHFFFAOYSA-N", "SMILES:Cc1nccn1-c1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJXFEYJWVRZWHZ-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(Cn4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHHCHDMXVRJNSZ-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-c4nnco4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKNQXQJOYJNNC-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-c4nccs4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQNLDXQQHODAHH-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-c4ncns4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTBZEUPFWASBTB-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-n4cnnn4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKCUQLKPXZZCT-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-n4ncnn4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBASMWTVGQETJY-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cccc(-c4ccccn4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDNQQHAGIVJMPQ-UHFFFAOYSA-N", "SMILES:CS(=N)(=O)Cc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQMQMFIDIUQDEH-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CCC3)cc(Nc3cccc(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQRMYMVJYPDYLU-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3COC3)cc(Nc3cccc(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZLWQRJVZWDFAZ-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC(F)(F)C3)cc(Nc3cccc(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWCMWNUOBCDMM-UHFFFAOYSA-N", "SMILES:Cn1cnc(Nc2cc(Nc3cccc(-n4cnnc4)c3)nc3c(C#N)cnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPUUGUMWJCDYKU-UHFFFAOYSA-N", "SMILES:CNCCn1cnc(Nc2cc(Nc3cccc(-n4cnnc4)c3)nc3c(C#N)cnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBBDEUXERUBTLD-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cnc(Nc2cc(Nc3cccc(-n4cnnc4)c3)nc3c(C#N)cnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOHLLZSTHULKIJ-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(Nc3cn(CCN4CCCC4)cn3)cc(Nc3cccc(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSXLRDFDVCUEDM-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(Nc3cn(CCN4CCOCC4)cn3)cc(Nc3cccc(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIHQXBOZJFCOV-UHFFFAOYSA-N", "SMILES:CNCCn1ccc(Nc2cc(Nc3cccc(-n4cnnc4)c3)nc3c(C#N)cnn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSWVJUVPHAQOCD-UHFFFAOYSA-N", "SMILES:CN(C)CCn1ccc(Nc2cc(Nc3cccc(-n4cnnc4)c3)nc3c(C#N)cnn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MICXRBIIGGFFMT-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(Nc3ccn(CCN4CCCC4)n3)cc(Nc3cccc(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYBQSJNFUWYTDT-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(Nc3ccn(CCN4CCOCC4)n3)cc(Nc3cccc(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOIRMHHKTDBEBI-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cc(-n4cnnc4)ccc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSZHWYAYKBDNI-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3ccc(F)c(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBSZXAAOZKUCTM-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cc(-n4cnnc4)ccn3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJVFPYPVBVBLGY-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3ccnc(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQJJAKWXQAJIKZ-UHFFFAOYSA-N", "SMILES:CN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVAOFLLPBDNCKY-UHFFFAOYSA-N", "SMILES:CN(CCN)c1cc(F)c(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIQQTQLDDARAW-UHFFFAOYSA-N", "SMILES:CCN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFUFXSVRZSZXRW-UHFFFAOYSA-N", "SMILES:CCN(CCN)c1cc(F)c(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWOHSRXULMKGTM-CQSZACIVSA-N", "SMILES:C[C@@H](N)CN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWOHSRXULMKGTM-AWEZNQCLSA-N", "SMILES:C[C@H](N)CN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBGMBSVJJFHIDX-UHFFFAOYSA-N", "SMILES:CNCCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVGRDQWSAGXADZ-UHFFFAOYSA-N", "SMILES:CCNCCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBOWXWRCYTSLW-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXFVAFXWAXTJN-UHFFFAOYSA-N", "SMILES:CN(CCO)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJASXFYUULYDH-UHFFFAOYSA-N", "SMILES:CN(CCO)c1cc(F)c(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMKCLQPNDOFNTG-UHFFFAOYSA-N", "SMILES:COCCNc1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCSRELPJCASBSJ-UHFFFAOYSA-N", "SMILES:CN(CCN1CCCC1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UURMQSPTAPHRBI-UHFFFAOYSA-N", "SMILES:CN(CCN1CCOCC1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXDSWZZYPOXNI-OAHLLOKOSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3ccc(N4CC[C@@H](N)C4)c(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXDSWZZYPOXNI-HNNXBMFYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3ccc(N4CC[C@H](N)C4)c(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSKJOAFDIDNMF-AWEZNQCLSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3cc(-n4cnnc4)c(N4CC[C@H](N)C4)cc3F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYZZBNFGIHCOV-INIZCTEOSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3ccc(N4CCC[C@H](N)C4)c(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTMCHBSRIYFJO-IBGZPJMESA-N", "SMILES:CN[C@H]1CCCN(c2ccc(Nc3cc(NC4CC4)n4ncc(C#N)c4n3)cc2-n2cnnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTMCHBSRIYFJO-LJQANCHMSA-N", "SMILES:CN[C@@H]1CCCN(c2ccc(Nc3cc(NC4CC4)n4ncc(C#N)c4n3)cc2-n2cnnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMHCZKMGKARJK-QGZVFWFLSA-N", "SMILES:CN[C@@H]1CCCN(c2cc(F)c(Nc3cc(NC4CC4)n4ncc(C#N)c4n3)cc2-n2cnnc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVQIQSFLMTHDX-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(NC3CC3)cc(Nc3ccc(N4CCOCC4)c(-n4cnnc4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXWPCOSRTDHHNH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3cc(NC4CC4)n4ncc(C#N)c4n3)cc2-n2cnnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445177", "category": ["biolink:ChemicalEntity"], "name": "GINGKOLIC ACID", "xref": ["InChIKey:YXHVCZZLWZYHSA-FPLPWBNLSA-N", "SMILES:CCCCCC/C=C\\CCCCCCCc1cccc(O)c1C(=O)O"], "synonym": ["6[8'(Z )-Pentadecenyl]Salicylic Acid"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5556768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDUKUSNQNWVET-VYUBKLCTSA-N", "SMILES:O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5557204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPPRBOLFVPVWMS-OERUSLLMSA-N", "SMILES:CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWDROLIWUHWAE-JZHBTDALSA-N", "SMILES:CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUQFRGPVIULNNW-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(C#N)ncn2c1N1CCS(=O)(=O)C(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLERBLIGBIJZPR-SVZXGPMESA-N", "SMILES:Cc1cc(C(O)(CO)C(F)F)ccc1-c1cnc(N)c(C(=O)N2CC[C@H](CO)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLIWFLYZFREPS-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc3nc(-c4nc5c(C)cccc5[nH]4)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKRKUSOJUONPPA-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(-c3ccnc(-c4ncc(-c5ccccc5)[nH]4)c3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZMFCHMHOZJWDA-LBPRGKRZSA-N", "SMILES:Cc1nnc(-c2cc(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)ccn2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPCRDYOOHIXMPZ-HDJSIYSDSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)ccc1-c1cnc2c(N)c(Cl)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALUQCLETYYPEA-UHFFFAOYSA-N", "SMILES:Cc1nc(N)c2ncc(-c3cc(C(C)(O)CC(F)(F)F)ccc3C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJSYIGHBAUTBJ-SHTZXODSSA-N", "SMILES:Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)ccc1-c1cnc(N)c(C(=O)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQCHPILKAPPVBW-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cc(-c3ccc(S(=O)(=O)NCC(C)(C)O)cc3C)cnc2N)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVFUPXKGQCCPLY-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CNCc3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZCXRSCQYDTALP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(F)F)n3nccc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTVSTFHRNUBBNU-UHFFFAOYSA-N", "SMILES:CC1(CCn2nc(-c3ccc(Cl)c(O)c3)c3c(N)ncnc32)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROQZCPAUTWKVGO-UHFFFAOYSA-N", "SMILES:Oc1c(-c2cc(C(F)(F)F)n[nH]2)ccc(C#CCCN2CCOCC2)c1-c1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSDFDVBYONIJLD-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSDZIPLINIFOJ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYCZMMCPJBECLC-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITDJHRPDSVBHRT-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZASCPMZYOIXGH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSKFFLJMHYZDNS-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZDUZXLTPRDOIZ-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNHRFUPRYCOOY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccc(Cl)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYWJGBBUMPEJF-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3cccc(Cl)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKNMREQQNZWUHD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3Cl)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBNYLWQMITUFD-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3cccc([N+](=O)[O-])c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFMJCZROEBRWTB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccc(N)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMFXTVICSRAKDQ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3cccc(N)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBGZKHUNSUQBH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3N)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZYQUZBPWWOXML-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZZHKGKUPJYMSE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPHBKYUPBOKHRT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccc(C#N)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFYVDJWYYVNIBX-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3cccc(C#N)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYIYOLAAKKYSIE-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3cccc(C(F)(F)F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAGKMMYIUWIGJJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTVLQSGUDFJIU-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIQXRQUUNNALRN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccc(S(C)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUJOTELKFWFXSG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3cccc(S(C)(=O)=O)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMCBWGRYTUJAO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccc(O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUHEEFEPXKIBO-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3cccc(O)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDACVQJLJATWDT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3O)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5505897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMTVBFXMGZOJT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccc(C(C)(C)C#N)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIZCESWOQMCQAK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLYQAQYWJKAEHY-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHBVMHFJYFFKV-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSVVAOFXCGGNPB-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXDJAGKQYJREHU-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQWVFICPMBTPB-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cl)cc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZBPFMOOYTVMLS-UHFFFAOYSA-N", "SMILES:Cc1cc(S(C)(=O)=O)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZJQPMPJULBZRG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(C)(=O)=O)cc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQCRPRUZPRBXNX-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVSVEMPEAKGKER-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHAPAAFKKUAWAI-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXAYUAOYRHPXBF-UHFFFAOYSA-N", "SMILES:COc1ccc(C)c(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILXLCKISHCNPHF-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2ccccc2)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVVYRYBOAFGHA-UHFFFAOYSA-N", "SMILES:Cc1cc(O)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUECAPPDLVRRFO-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVIAIHURLWTGQE-UHFFFAOYSA-N", "SMILES:Cc1cc(OC(F)(F)F)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQQXRDFHFHHSJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OC(F)F)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKYIOJBRGZPVCL-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYHSNLZZBKWPU-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCN(C)C)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLICZFLJDCAXEV-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUUAJMJBYJAZCX-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)c2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRATJPPKHUJHN-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C2CCCC2)c2cc(Nc3ccc(OC)cc3C)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSHJLDAUIAXFN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(CCOCc2ccccc2)c(=O)n3C2CCCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONKAPUHXRZJRN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(CCO)c(=O)n3C2CCCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXXXNZLVDURAZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C(C)C)c(=O)n3C2CCCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIINOZOVUUXHFK-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C2CCCC2)c(=O)n3C2CCCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKLYUWSWDIVMSQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(Cc2ccccc2)c(=O)n3C2CCCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZLQPBVRSSDYDI-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)n(C)c2cnc(Nc3ccc(OC)cc3C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXVTAXXICWENX-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCOC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWQGRBXWVWGSR-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCOCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJFMDYHDHYLLEX-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3CC2CCOCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXTQNUUFXVHHHD-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3CCC2CCOCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPHWHZWCRBOCH-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCC(OC)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEXPBFYDGNZHOA-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCC(OCc3ccccc3)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXBGXOTVTIPYRZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCC(O)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGUWWJXZYCPEF-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3-c2ccccc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFZBEJKCLYCEPN-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(=O)n(C)c3cnc(Nc4ccc(OC)cc4C)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDRJCSRPKZGQOI-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3-c2ccc(OCc3ccccc3)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBCEMXDAJTEQO-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3-c2ccc(O)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFQDQYUIAHKRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3-c2ccc(C(C)(C)C#N)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIYTYGLDKRTSHX-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXUHLHLZKHTXMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCNCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBTYJGOOZWMVOI-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQAZYGCYEPPLLS-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3CC2CCNCC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZWGPUOIAODBJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABCVSJPWKPDCS-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCC(N)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCPDUNHAEBGVOJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCN(C)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRNMBOYZOKUEI-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXESCAFENSEZKK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3[N+](=O)[O-])ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMTUTFXWFYRLQT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDJZXQWRKIQMV-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3C(F)(F)F)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCFHQJFUNMIGKD-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCOCC2)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXDDVTWFSAWNW-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C)CC2)ccc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBHVAMLOHFYXBU-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNUSHILWQLXQLV-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHHWDWSWFAEIPA-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2COC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVSWEYWJPNFCCN-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3CC2CCN(C)CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWRVZZHISITDQ-HUUCEWRRSA-N", "SMILES:CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWRVZZHISITDQ-LSDHHAIUSA-N", "SMILES:CC(C)C[C@@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLHXMLUIEURZLV-QHAWAJNXSA-N", "SMILES:C#C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4070078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWTGCDBTARLXAS-IXDOHACOSA-N", "SMILES:CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOASDKSTYOVNJF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1cc(C(F)(F)F)ccc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3559780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGLAMEXMBJAJBI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNJKRUKVSPFJT-INIZCTEOSA-N", "SMILES:O=C(C[C@H](Cc1ccc(O)cc1)n1nncc1CNS(=O)(=O)c1ccc(-c2ccccn2)s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCACZUFRCVVFN-IBGZPJMESA-N", "SMILES:COc1ccc(C[C@@H](C(=O)NO)n2cc(CNS(=O)(=O)c3ccc(-c4ccccn4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHKXYPPDICVAU-FQEVSTJZSA-N", "SMILES:COc1ccc(C[C@@H](C(=O)NO)n2cc(CNS(=O)(=O)c3ccc(-c4ccccc4)s3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAZJLAPNVJOSFR-DEOSSOPVSA-N", "SMILES:O=C(NO)[C@H](Cc1ccc(Oc2ccccc2)cc1)n1cc(CNS(=O)(=O)c2ccc(-c3ccccn3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1852652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCPQVXLDVBEGMQ-UHFFFAOYSA-N", "SMILES:NC1CCc2cccc(-c3ccccc3)c2CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1852487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KATGOXLVXGJULC-UHFFFAOYSA-N", "SMILES:NC1CCc2c(Br)ccc(Br)c2CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28650", "category": ["biolink:ChemicalEntity"], "name": "AMASTATIN", "xref": ["InChIKey:QFAADIRHLBXJJS-ZAZJUGBXSA-N", "SMILES:CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5518024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBGIJBHJZPPRE-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVOFKGQYWVITDZ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc(-c2ccc(O)c(O)c2)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJARLVDIFQHTGT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BICDLDRIJMXNGC-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cccc(-c2ccc(O)c(O)c2)c1)c1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZHUALVCHRYFY-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1cc(C(F)(F)F)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADQGYJMIQMCEX-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCCCCC(=O)O)cc1Cc1cnc2nc(N)nc(N)c2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHLOZBFTBSCIB-UHFFFAOYSA-N", "SMILES:COc1ccc(C#Cc2cccc(C(=O)O)c2)cc1Cc1cnc2nc(N)nc(N)c2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOQZFJSAYISAP-UHFFFAOYSA-N", "SMILES:CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQRXGXBWHQIHNH-UHFFFAOYSA-N", "SMILES:CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL564937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWSIAKZEDQVBU-UHFFFAOYSA-N", "SMILES:CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL550296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHEJGIHBLBFCLD-UHFFFAOYSA-N", "SMILES:CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL565179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWSWTYDWMFMKAF-UHFFFAOYSA-N", "SMILES:CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL551049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFXTHIRRXEJJD-NSHDSACASA-N", "SMILES:CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL562369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCPGLYOPFIZBL-NSHDSACASA-N", "SMILES:Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCIRZCCABFYLR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ncc2c(n1)N(CCCN1CCN(C(=O)C=C)CC1)C(=O)N(c1c(Cl)c(OC)cc(OC)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVBQWKJLAMNYMS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)cc(Cl)c1Nc1nc(C)c(OCc2c(F)c(OC)cc(OC)c2F)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3322197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVWHOZYQECWMFG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDMHXJFITYTDB-UHFFFAOYSA-N", "SMILES:Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2348244", "category": ["biolink:ChemicalEntity"], "name": "TEICOPLANIN AGLYCON", "xref": ["InChIKey:DKVBOUDTNWVDEP-NJCHZNEYSA-N", "SMILES:N[C@H]1C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@@H](C(=O)O)NC3=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5550069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDBQQVLCIARPGH-GVDBMIGSSA-N", "SMILES:CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C=O)CCCN=C(N)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4744444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOAKLVKFURWEDJ-QCMAZARJSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2032358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJCYXIOWHZRLU-GQCTYLIASA-N", "SMILES:COc1ccc2[nH]c(C)c(/C=C/C(=O)c3ccncc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYBWFGQECIOAR-NXVVXOECSA-N", "SMILES:C1=Nc2ccccc2/C1=C\\NNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKUJBBKHBVPMTI-UHFFFAOYSA-N", "SMILES:Nc1ncc2c(n1)Cc1c([nH]c3ccc(-c4ccc(F)cc4)cc13)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYIUOCSMWZBRDQ-UHFFFAOYSA-N", "SMILES:CCC(O)(CC)c1ccc2[nH]c3c(c2c1)Cc1nc(N)ncc1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBULDDHCFGKLO-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc2[nH]c3c(c2c1)Cc1nc(N)ncc1CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1644904", "category": ["biolink:ChemicalEntity"], "name": "2-(1-PHENYLETHYLIDENE)HYDRAZINECARBOXIMIDAMIDE", "xref": ["InChIKey:MRKZNCISKCWGLP-KPKJPENVSA-N", "SMILES:C/C(=N\\NC(=N)N)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUPHEGBHBGKBKL-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc(Oc3cc(CN4CCC(CNC(C)=O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPVPASPENGAFSC-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ncc(Oc3cc(CN4CCC(OCC(=O)O)C4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1185793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTKGXPFBKPYFDW-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL147503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBFHWQWAWLKTEK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccc(-c3ccc(C(=N)N)cc3C)cc2)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297376", "category": ["biolink:ChemicalEntity"], "name": "E-7820", "xref": ["InChIKey:LWGUASZLXHYWIV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c2[nH]cc(C#N)c12"], "synonym": ["E-7820", "E7820", "E7820", "ER-68203-00"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5175040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMRBCNQCRMTXBE-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(CC(=O)Nc3ncc(C)s3)cs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3197745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBEIAQYKTXKQGF-CXUHLZMHSA-N", "SMILES:Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5285058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPKLWRHHVIBYEO-KMKOMSMNSA-N", "SMILES:O=C1Nc2ccc(Br)cc2/C1=C/c1cc(O)c(O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRFAUNDDLPKBNF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(C(F)(F)F)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4244843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXTYBXCEQOANSX-WYKQKOHHSA-N", "SMILES:C=CC(C)(C)OC[C@H]1O[C@H](O[C@@H]2C3=C([C@H](C)COC(C)=O)C[C@H](O)[C@]3(C)/C=C3/[C@@H](COC)CC[C@H]3[C@@H](C)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5565016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVPUHBSBYJSMQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQZFYWKUHIJIEJ-UHFFFAOYSA-N", "SMILES:O=C(C1=C(O)C(=O)N(c2ccccc2O)C1c1ccc([N+](=O)[O-])cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRNXSTXSXYWTDK-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1P(=O)(O)O)NCCc1ccccc1"]}
{"name": "14-3-3 protein beta/alpha", "xref": ["CHEMBL.TARGET:CHEMBL3710403"], "id": "UniProtKB:P31946", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGURUTWWNDKOD-KCHLEUMXSA-N", "SMILES:N=C(N)NCCC[C@@H]1NCc2ccccc2Sc2ccccc2CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOLAZWZXXARID-UHFFFAOYSA-N", "SMILES:NC1CC1c1ccc(NC(=O)CCC(=O)NCCCNCCCCNCCCNC(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBLHYOFEMOXPJQ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1cccc(CCCC(=O)Nc2ccc(C3CC3N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1482039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEAQIWGXBXCYFX-BQYQJAHWSA-N", "SMILES:COC1=CC(=O)OC(/C=C/c2ccccc2)C1"], "synonym": ["(+/-)-Kavain"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5272530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDGLKXJZQASKE-UHFFFAOYSA-N", "SMILES:Cn1nnnc1Sc1cc(-c2ccccc2)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLZGVAXRIJKBF-UHFFFAOYSA-N", "SMILES:O=C(CCCCC1CCSS1)NCc1cn(CCCCOc2ccc3c(c2)OCCC3=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHDIGFSZOUNDHL-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)C1CCC(c2cn(CCc3cccc([N+](=O)[O-])c3)nn2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRXKSVOFXLCHBD-UHFFFAOYSA-N", "SMILES:CC(NC1=C(Cl)C(=O)c2cccnc2C1=O)c1cn(Cc2ccc(CO)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDLGKVYCHLYGX-AIYWAUIHSA-N", "SMILES:COc1cc2c(cc1OC)C(c1ccccc1)N(CCc1cn(CCCCC3=C[C@H]4Cc5nc6cc(Cl)ccc6c(N)c5[C@H](C3)C4)nn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMZQYGFDADWAC-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cc(-c3ccc(F)cc3)nn2)n(-c2ccc(S(C)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4466030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYZITHQCANUQCP-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cc(-c3ccc(N)cc3)nn2)n(-c2ccc(S(C)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWAZRJLRMEJDV-LDLFXXLYSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)n2cc(COC(=O)N[C@@H]3c4ccccc4C[C@H]3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFHMQCAAEQWIRX-URLMMPGGSA-N", "SMILES:COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)n2cc(CNC(=O)c3ccncc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGBDSHEHYTIBP-QAXCHELISA-N", "SMILES:COC(=O)[C@@H](NC(=O)OCc1cn([C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)nn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQFGEGMIDDQAL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cn(CCNS(=O)(=O)c3ccccc3)nn2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUARXIUSHWAEA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cn(CCNS(=O)(=O)c3ccc(F)cc3C)nn2)cc1Nc1nccc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULYMXTUXOPDIG-CYBMUJFWSA-N", "SMILES:CC(C)C[C@H](C(N)=O)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYGAZRDCFHLCMV-MOFRHJDXSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1n1cc(-c2cccc(N3C(=O)c4cccc5cccc(c45)C3=O)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNHTTVNJRWELG-WRQOLXDDSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1n1cc(CCc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZHQDYMJFVIZEY-OXGONZEZSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1n1cc(CNc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBMIHIWLXNCERH-OXGONZEZSA-N", "SMILES:CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1n1cc(COc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUUUUTNXBTVXPX-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)OCc2cn(-c3ccccc3Cl)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMZIIVFYVVKQLA-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKIWNSVAHBKFLM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(COC(=O)C(C)c3ccc(CC(C)C)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRGFWYKEVKWHRW-VYYCAZPPSA-N", "SMILES:CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\\c1ccc(OCc2cn(CC(=O)NCc3ccc(C(=O)O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKMFBZZCZQBVGF-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2c1cc(OC)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRALYIIFIIIOO-UHFFFAOYSA-N", "SMILES:CCCCCC1OC(=O)c2c1cc(OC)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASKHUAGZWJBCU-UHFFFAOYSA-N", "SMILES:CCCCCCC1OC(=O)c2c1cc(OC)c(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL381230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIKGAEMMNQTUGL-UHFFFAOYSA-N", "SMILES:CN1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIKGAEMMNQTUGL-JTQLQIEISA-N", "SMILES:CN1C(=O)N[C@@H](Cc2c[nH]c3c(Cl)cccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKVHHNCDCLSINQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCOCC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVGFKBLUYAEOK-GOSISDBHSA-N", "SMILES:N#Cc1cc(N2CCC(C(=O)N3N=CC[C@@H]3c3cc(F)cc(F)c3)CC2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFFENXGBPVGOQ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1Cl)c1cn(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQSZVECJMJELSV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCCCN2C(=O)NC(Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1C#Cc1cnc2cccnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTQDNMQENCMSFD-SNVBAGLBSA-N", "SMILES:CN1C(=O)[C@@H](Cc2c[nH]c3c(Cl)c(F)ccc23)N(C=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSAWIHZNHHASBP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cn2cc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CC4)ccc2n1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVRODNTVCIXSZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccccc2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQVSLWJBLPTMD-GFCCVEGCSA-N", "SMILES:CC(C)(C)C(=O)N1N=CC[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIRIJHPESRRPNP-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCNCC3)nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXGOMJXGESCWPD-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3604619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQQHHCLBHNOQRQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)Cc4ccccc4)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPJWJOYOOLVOPL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)n2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZYOJULVVGQRS-UHFFFAOYSA-N", "SMILES:Cc1cccc(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZHISBWYDUELRD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccc(C(F)(F)F)cn2)c2c(N)ncnc21"]}
{"name": "Regulator of chromosome condensation", "xref": ["CHEMBL.TARGET:CHEMBL6067623"], "id": "UniProtKB:P18754", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQUVORXHWTTLL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC1=C(O)C(=O)C=C(NCCC2CCN(Cc3ccccc3)CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVMTZFITEDYMDL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CN1CCC(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4083213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFERALOSEISYBB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(OC(=O)C1CCN(Cc3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJTVXPWJGTXSN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1nc(NC(=O)C3CCN(Cc4ccccc4)CC3)sc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXSVZFFAFCTTLS-REZHQCRGSA-N", "SMILES:O=C(/C=C/C=C/c1ccc2c(c1)OCO2)NCCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKASPIKWGUTHRG-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOZNNWTIBDRNQ-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYNYHGLQLHVHJL-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLHKYZVQIDAFAL-UHFFFAOYSA-N", "SMILES:Cc1ncsc1C(=O)NCCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGGAAYGUPPQLF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APZVSNNUXNZYNI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISVTTNTMGFFRP-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBOTWAVTBMPNSI-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYZRCSOQJXWLA-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETMUIIASRIGER-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4909935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTHGNQWMQBSOC-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccccc2)CC1)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKRUUNRQTOOJCZ-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNGZOOWTSOGFS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKIDHAMUPZCKH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUFXRACWQZFRD-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWJDCJQEWTHSS-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHFAWVHGIRXFHE-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWFVYBLXLNLKHD-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)NCCC3CCN(Cc4ccccc4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVZBUEBWSLHLKO-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMYVVCYJUSYWIJ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274189", "category": ["biolink:ChemicalEntity"], "name": "PALMATINE CHLORIDE", "xref": ["InChIKey:RLQYRXCUPVKSAW-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5523613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKHMYSSXAAPKDZ-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OC)CCOc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSDRRQBTAAIWJR-UHFFFAOYSA-M", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CCOc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNSCZZVCBUVEZ-UHFFFAOYSA-M", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CCCOc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTWBDXLPIULPHX-UHFFFAOYSA-M", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CC(C)COc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBNZALDWSNPCEW-UHFFFAOYSA-M", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CCOCCOc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMZKCKHNNRHHQC-UHFFFAOYSA-N", "SMILES:COc1ccc2cc3[n+](cc2c1OC)CCNc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQZBNPJRAKKBMR-UHFFFAOYSA-N", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CCNc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHTGEBDOVNANHF-SOIZLHRFSA-N", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CCCNc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDKAEIOMQURLD-UHFFFAOYSA-M", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CCN(C(C)=O)c1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGZSZBHVAHBTQ-UHFFFAOYSA-M", "SMILES:COc1ccc2cc3[n+](cc2c1OC)CCSc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEIMXXGBAPHRB-UHFFFAOYSA-M", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CCSc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBJNYLAUIITOV-UHFFFAOYSA-M", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CCCSc1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJZVCOUNDCZWTH-UHFFFAOYSA-M", "SMILES:COc1cc2cc3[n+](cc2cc1OC)CCS(=O)(=O)c1cc2c(cc1-3)OCO2.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPXVFEXQCWAZIE-UHFFFAOYSA-M", "SMILES:C1=CC2C=C3c4cc5c(cc4OCC[N+]3=CC2S1)OCO5.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZQKTJBLSBIHA-UHFFFAOYSA-M", "SMILES:C1=CC2C=C3c4cc5c(cc4NCC[N+]3=CC2S1)OCO5.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWMVKMNSDXVNL-CMDGGOBGSA-N", "SMILES:CCCNNC(=O)CCCCNC(=O)/C=C/c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFCDIVOWAPYSPP-ZHACJKMWSA-N", "SMILES:CCCNNC(=O)CCCCCCNC(=O)/C=C/c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSKNUBYLLYGFAI-VAWYXSNFSA-N", "SMILES:CCCNNC(=O)CCCCCCCNC(=O)/C=C/c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLHQQDRJSHUDJ-JXMROGBWSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNFDJHFGKZUZCU-ZHACJKMWSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APNNPXNFLOJVDO-VMPITWQZSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZZQCWSGCPALEP-NTCAYCPXSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)CCCCCCNC(=O)/C=C/c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIXOSUQGEBHZSS-DTQAZKPQSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)CCCCCCCNC(=O)/C=C/c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHUXNDUTCMUPI-XNTDXEJSSA-N", "SMILES:CCCNNC(=O)c1ccc(NC(=O)CCCCCCNC(=O)/C=C/c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBYRDHGFUDTDM-LFIBNONCSA-N", "SMILES:CCCNNC(=O)c1ccc(NC(=O)CCCCCCCNC(=O)/C=C/c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJJDOFESDDARD-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVUXXFIUQSMGS-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cnccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXXQTRUQMEVPV-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3cnccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLVJEOEQLBTEN-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccncc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BADMYFPDYIWLBR-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)CCCCCCNC(=O)c1cc2cnccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULYVQURTWGHWFS-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)CCCCCCCn1cc(-c2cccnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOQPPTRKIZLQFU-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCCn1cc(-c2cccnc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECGBOMSMXRDNX-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(NC(=O)CCCCCCCn2cc(-c3cccnc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSXTUEZRGJAGSO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2417798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSHKAYNRMWZXLU-UHFFFAOYSA-N", "SMILES:Cc1ncsc1C(=O)N1CCC(CCCCNC(=O)c2cc3cnccc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL280563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOVEPYOCJWRFC-HZLVTQRSSA-N", "SMILES:N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL34453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFYNOWXBIBKGHB-FBCQKBJTSA-N", "SMILES:N[C@@]1(C(=O)O)CC[C@@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL334160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKKUEAUAXFRAV-STGXQOJASA-N", "SMILES:C[C@H]1[C@H](C(=O)O)[C@H]1[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQOQGFPPQJNODN-STGXQOJASA-N", "SMILES:N[C@H](C(=O)O)[C@H]1[C@@H](CO)[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOVEPYOCJWRFC-JJYYJPOSSA-N", "SMILES:N[C@H](C(=O)O)[C@@H]1C[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL88804", "category": ["biolink:ChemicalEntity"], "name": "(S)-2-AMINOADIPIC ACID", "xref": ["InChIKey:OYIFNHCXNCRBQI-BYPYZUCNSA-N", "SMILES:N[C@@H](CCCC(=O)O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5532032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPZQJSGAWBTFK-WVADXRAYSA-N", "SMILES:C[C@@]1(C(=O)O)C[C@H]1[C@H](N)C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAYCULVIJPUITB-CGOLMLKISA-N", "SMILES:C[C@@]1(C(=O)O)C[C@@H]1C[C@H](N)C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPZQJSGAWBTFK-FYKNKCDXSA-N", "SMILES:C[C@]1(C(=O)O)C[C@@H]1[C@H](N)C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGPCGYBGJFZOPY-CGOLMLKISA-N", "SMILES:CC[C@@]1(C(=O)O)C[C@H]1[C@H](N)C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPZQJSGAWBTFK-YCKZGWIBSA-N", "SMILES:C[C@@]1(C(=O)O)C[C@@H]1C(N)C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVFLGAOAYOEOM-FOHZUACHSA-N", "SMILES:C[C@@]1(C[C@H](N)C(=O)O)C[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275079", "category": ["biolink:ChemicalEntity"], "name": "LY-379268", "xref": ["InChIKey:YASVRZWVUGJELU-MDASVERJSA-N", "SMILES:N[C@@]1(C(=O)O)CO[C@H]2[C@H](C(=O)O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKNAHXOGKYZNG-YRNVUSSQSA-N", "SMILES:COc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJOAOCWLPYGCB-KPKJPENVSA-N", "SMILES:Cc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQNHHOFSRWCMD-UXBLZVDNSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Cc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKBDIULPQYZWHJ-UXBLZVDNSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2O)Cc2c(Br)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNOXBKIKMIKTAC-WUXMJOGZSA-N", "SMILES:N#Cc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPWKQNFRQSPXPS-UXBLZVDNSA-N", "SMILES:Nc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGUVOOLDCDIHOK-YRNVUSSQSA-N", "SMILES:CNc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGKMKPNXURDDQ-XYOKQWHBSA-N", "SMILES:CN(C)c1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMBQQGVLZGGCEM-KPKJPENVSA-N", "SMILES:CC(=O)Nc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYCJKWMIONEIHG-XYOKQWHBSA-N", "SMILES:CCC(=O)Nc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOUHFDIVITFBZ-UKTHLTGXSA-N", "SMILES:CCCC(=O)Nc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMFLZCAZRIAZEB-MDWZMJQESA-N", "SMILES:CC(C)C(=O)Nc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVFJZLSTPYOKI-LFIBNONCSA-N", "SMILES:O=C(Nc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMWITNFDQPLPQ-IZZDOVSWSA-N", "SMILES:NCC(=O)Nc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MERSRXCXUATKOP-QVIVLVACSA-N", "SMILES:C[C@H](N)C(=O)Nc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICWXWHLJPNLECI-BNOPAZPUSA-N", "SMILES:CC(C)[C@@H](N)C(=O)Nc1cccc2c1C/C(=C\\c1ccc(O)cc1O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPHPTNNPMPOMD-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c(O)c1Cc1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARYXFSFHIYEWFM-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c(O)c1Cc1cccc(S(C)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOWFNGJLAQISKZ-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c(O)c1Cc1ccc(CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGTSPRNMWSZTTJ-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c(O)c1Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJQSWHEGNLBLY-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccccc2)c(O)c1Cc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZBYKOHXMEOKZ-UHFFFAOYSA-N", "SMILES:CCc1nn(-c2ccccc2)c(O)c1Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOMNBZPBCBNLKA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Cc2c(C3CC3)nn(-c3ccccc3)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZNOMQGCIZWENQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nn(-c2ccccc2)c(O)c1Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZDIPUQZPSTFY-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2cccc(Cl)c2)c(O)c1Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKGXYDSRMMPDG-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)cc2)c(O)c1Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCDMPEBNNPUDPS-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(C)c(Cc3ccc(C(=O)O)cc3)c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUASBHSYOIJTQK-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)c(Cl)c2)c(O)c1Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAIEFODBOPPQN-UHFFFAOYSA-N", "SMILES:Cc1[nH]n(-c2ccccc2)c(=O)c1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PARUNNUPXGBHGW-UHFFFAOYSA-N", "SMILES:Cc1[nH]n(-c2ccccc2)c(=O)c1Cc1cccc(C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTNZOVWMWHYGV-UHFFFAOYSA-N", "SMILES:CCc1nn(-c2ccccc2)c(O)c1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERSUVSVQJWBJX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cc2c(C3CC3)[nH]n(-c3ccccc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSCISYXQNMXGKF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nn(-c2ccccc2)c(O)c1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIBLOKHTHYUQMA-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2cccc(Cl)c2)c(O)c1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHALEKKIFRJIF-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)cc2)c(O)c1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBNCFIPMJVBME-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(C)c(Cc3ccc(C(=O)NO)cc3)c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVCCQDXHBSRYPP-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(Cl)c(Cl)c2)c(O)c1Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3828604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLKAPPDHSYUHHR-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc3ccccc3c2)n2nc(C(F)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOBZZSFBFNUKPI-UHFFFAOYSA-N", "SMILES:Cc1cc(NCCCCCCCNc2ccnc3cc(Cl)ccc23)n2nc(C(F)(F)F)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBLFZOYAMXZIIS-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(Nc2cc[nH]n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZBUSHDVKOLBK-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)c2ccn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPADOXPUVWONC-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQCQDFOPTOVHOS-SNVBAGLBSA-N", "SMILES:C[C@@H]1COCCN1c1ccc2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKRHDKCMCGQAM-SECBINFHSA-N", "SMILES:C[C@@H]1COCCN1c1cc(I)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPABQAKBMIPMC-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C(C)(C)C(N)=O)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUFGVJMUPTWIQ-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C(C)(C)C#N)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGEDDIWFJBJBBX-CQSZACIVSA-N", "SMILES:C[C@@H]1COCCN1c1cc(-c2ccccc2S(C)(=O)=O)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNLORBBAUJOEHT-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1cc(-c2ccccc2C(N)=O)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRXAKUTXCLPULR-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2CCNCC2)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPRPWKQJRMERRH-CQSZACIVSA-N", "SMILES:C[C@@H]1COCCN1c1cc(N2CCN(CC(F)(F)F)CC2)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEKALQYTDNMUJU-LLVKDONJSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C(C)(C)O)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQKXKPOYKGSMGM-CQSZACIVSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(O)CCCCC2)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQKXKPOYKGSMGM-HEZOAATPSA-N", "SMILES:[2H]C1([2H])C([2H])([2H])C([2H])([2H])C(O)(c2cc(N3CCOC[C@H]3C)nc3c2cnn3-c2cc[nH]n2)C([2H])([2H])C1([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UASIXSVOYQPQOK-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(O)CCOCC2)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHNKGYTOCSOKL-CYBMUJFWSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(O)CCC(F)(F)CC2)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKKLMGLCDAZHBJ-BFUOFWGJSA-N", "SMILES:C[C@@H]1COCCN1c1cc([C@@]2(O)CCCOC2)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABEDZDGCBCMFHU-CKAQCJTGSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2(O)CCOC(C)(C)C2)c2cnn(-c3cc[nH]n3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095260", "category": ["biolink:ChemicalEntity"], "name": "CAMONSERTIB", "xref": ["InChIKey:YIHHYCIYAIVQKX-MBIULKOWSA-N", "SMILES:C[C@@H]1COCCN1c1cc([C@]2(O)C[C@H]3CC[C@@H](C2)O3)c2cnn(-c3cc[nH]n3)c2n1"], "synonym": ["Camonsertib", "Camonsertib", "Camonsertib", "Camonsertib", "Rp 3500", "RP-3500", "RP3500", "Camonsertib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSEZSAMWVCSQSG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(C#N)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYLCJJQWXQRRGL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(C(F)(F)F)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNUNDOHSIYMMSS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(C(F)F)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOYWVMHYPUMSKK-UHFFFAOYSA-N", "SMILES:CSc1ccccc1-c1n[nH]c2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUYDWUYBCMJOOK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTIEEVMXQHHHQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(N(C)C)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZISQYYUFFNMKR-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXAOANAEDQBACM-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVFCHSNBIQQRO-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHQOIPIJIJRJS-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHJADVPUQWJLRA-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(Oc6ccccc6)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPXXTDHOYDIVHU-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(OCc6ccccc6)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKWHUCUTXPQAH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(OC(F)F)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZTDWTIFDYTDQJ-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1n[nH]c2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIJMADIYSLPFV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHMSZJHJMNFYMS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(C6(C#N)CC6)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRWHTJODEBQTKG-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccccc5OC(F)(F)F)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFKNFLCXNGHQW-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1n[nH]c2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPGULZLZQQPSGV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPTBILZPNVRZIN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTTUTRXPNFTTPC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKWAEHVIAXNHQB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(S(C)(=O)=O)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFOZQLKLTIHBFX-UHFFFAOYSA-N", "SMILES:COCc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVQZHFQZLMASAK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(OC6CC6)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZSIQVWXBAFAGK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc(OC(F)(F)F)cc5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZNHNGWYLUNNCT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUSYTSRVQPALCG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJPITIYCZFUQQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCBCWSXGBNMKGI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNCFZEVZRYWROV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5ccc6c(c5)OCCO6)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRDYTSHBTLOUNT-UHFFFAOYSA-N", "SMILES:COc1c(F)cc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSDGXKCUAAOTH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRIXYZWZWLSGOC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGLKAJWKHWEPI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWCLEKKDBWLPA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGNPPKDBPWRTFT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSCCHMBIDTZBF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPJRAAGMNVEJU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWOSQKHAXYRPJD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)nc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMAUMVSVAGABRF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCNCC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRBYHCCNVHSNR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)nc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKHAISFGGUNHRV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(C5CCN(C)CC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVLBABBNHSLQA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(C5CCOCC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHJNWODKVDLHDB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCOCC5)nc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTVSHJTVHCOFQC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCNCC5)nc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOMKFYWBNOJLGR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCOCC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFLTETZNIFWTL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4cnc(N5CCN(C)CC5)nc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZAAVLLSUCIRPL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C(=O)N(C)C)CC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEFWHWXSNIFKCJ-UHFFFAOYSA-N", "SMILES:COCCN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(OC)c(OC)c5)c4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOCTWMPXZZVSKP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(CCO)CC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDXFSZZPGMJAEG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OITNCQRMZYHJKO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTBXLTPHIFJWNV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)cc4)cc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IALVMTIMQPNYRO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUIWEJHSKEPFQ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGKOWTMJBZMFDL-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1CN1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSPVLGGLXZVWMS-UHFFFAOYSA-N", "SMILES:Clc1ccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVEDVUCNLSTDTP-UHFFFAOYSA-N", "SMILES:Clc1cccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBWYNWFRYBXJBJ-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CN1CCC(Nc2c(-c3cn[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKSQHUPAOGSMJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHVZAGPZCYJAM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCC(Nc3c(-c4cc[nH]n4)cnc4[nH]ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPXOXBLMHVCHQN-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1CN1CCC(Nc2c(-c3cc[nH]n3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKPLGQQOMFXCH-UHFFFAOYSA-N", "SMILES:Clc1ccc(CN2CCC(Nc3c(-c4cc[nH]n4)cnc4[nH]ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYSYZLCAYWRFHN-UHFFFAOYSA-N", "SMILES:Clc1cccc(CN2CCC(Nc3c(-c4cc[nH]n4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGLYMQCWYULCK-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CN1CCC(Nc2c(-c3cc[nH]n3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIIAUGGAFMGWNN-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(Nc3c(-c4cc[nH]n4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPCPBSIHSSCFD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMPMCUWRQBKQIY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRWJUDRUNCAWKH-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1CN1CCC(Nc2c(-c3cc[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVNTSBODORYCD-UHFFFAOYSA-N", "SMILES:Clc1ccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTVDKFRDANWES-UHFFFAOYSA-N", "SMILES:Clc1cccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXDDGQOGFWGIJ-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CN1CCC(Nc2c(-c3cc[nH]c3)cnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXVPGZPOLNLJR-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CCC(Nc3c(-c4cc[nH]c4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYBVJQNWLKCPW-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC(Nc3c(-c4cc[nH]n4)cnc4[nH]ccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMKQKMVXVXFLJH-UHFFFAOYSA-N", "SMILES:Oc1noc2cccc(Nc3cccc(Oc4ccccc4)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTQRQPIWFBHFV-UHFFFAOYSA-N", "SMILES:Oc1noc2cccc(Nc3ccc(Oc4ccccc4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXJCJYFTZDKKM-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2ccc(Nc3cccc4onc(O)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHUGFNXLZBTBSH-UHFFFAOYSA-N", "SMILES:Oc1cccc(Oc2ccc(Nc3cccc4onc(O)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXYWNZRSVLSPP-UHFFFAOYSA-N", "SMILES:Oc1noc2cccc(Nc3cccc(-c4ccccc4)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGMVXNQMPQZUMQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cccc(Nc3cccc4onc(O)c34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTYALBNYZHYPC-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2cccc(Nc3cccc4onc(O)c34)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPAIFQAVDQODW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(Nc3cccc4onc(O)c34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIHYSBNWMCIQRH-UHFFFAOYSA-N", "SMILES:Oc1ccc(-c2cccc(Nc3cccc4onc(O)c34)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEEKBXQNMKYXLV-UHFFFAOYSA-N", "SMILES:Oc1noc2cccc(Nc3ccc(-c4ccccc4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIRVXWOPXDYOKY-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(Nc3cccc4onc(O)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQJXZEDYPMNSBG-UHFFFAOYSA-N", "SMILES:Oc1cccc(-c2ccc(Nc3cccc4onc(O)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYAQTFQNYDVHQT-UHFFFAOYSA-N", "SMILES:Oc1noc2cccc(Nc3ccc(-c4ccccc4C(F)(F)F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFXZDRFORWOPGT-UHFFFAOYSA-N", "SMILES:Oc1noc2cccc(Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJSKJKNBNEAOF-UHFFFAOYSA-N", "SMILES:Oc1noc2cccc(Nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTWKGKOFJUEBID-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)c1cccc([Se]c3c[nH]c4ccc(-c5cnn(C)c5)cc34)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBXLKUIAHMQCJX-UHFFFAOYSA-N", "SMILES:CCC(=O)NC(n1cnc2c(Nc3cc(OC)c(OC)c(OC)c3)nc(N)nc21)C(Cl)(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1516633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLASBXFYKFUQU-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGYHQPVTAONNT-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc(-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHCAZVPZAPOCIM-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKOSYTQZLOXMAU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFUYMIAUPDAOEP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFLFPVICJSHMI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYIRGXJWECWXIO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBBOUTDNRNUAFS-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc(-c2cncnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTVQWIYOWVILFR-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSONWPHTWNOJLW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOPTQYLGICECI-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc(C(=O)NCCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORGAFANPXAHPF-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc(-c2ccn(C3CCCCO3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQYNBSOYZDAAD-UHFFFAOYSA-N", "SMILES:CCOC(C)n1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXAIMZXYEYVZDT-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXVVAVNHQZTZMN-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc(-c2ccc3c(c2)OCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSNBCUUKHWFKAO-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc(-c2cnc3[nH]ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLQOHGUEUGDAOP-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1ccc(-c2cc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQNLFUSPEKYNDB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CC(CN3CCC(n4ccc5c(N)ncnc54)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRQYLNYQAPCPIR-UHFFFAOYSA-N", "SMILES:CCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5527907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVWOCJIBVEFQH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CC(CN3CCC(n4cc(-c5ccc(F)cc5)c5c(N)ncnc54)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIWZRZHLLPGWLB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(N2CC(CN3CCC(n4cc(-c5ccc(F)cc5)c5c(N)ncnc54)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOBAUSQATQTFAH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(N2CC(CN3CCC(n4cc(-c5ccc(F)cc5)c5c(N)ncnc54)CC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWHTYNNCJTZICG-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(F)cc1)cn2C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZVOSFYAKUYAO-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(F)cc1)cn2C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CCC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRPGTDGOBOZDJ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(F)cc1)cn2C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CCCC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVOKDNPHNGLID-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(F)cc1)cn2C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CCCCC4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIBAYDJDZFTQT-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(F)cc1)cn2C1CCN(CC2CN(c3ccc(S(=O)(=O)c4ccncc4)cc3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSWMTMSAWLJZQF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccc(N3CC(CN4CCC(n5cc(-c6ccc(F)cc6)c6c(N)ncnc65)CC4)C3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTMBOAXJBMIRQI-ACCUITESSA-N", "SMILES:N#CC(C#N)=C1C=C(/C=C/c2ccc(O)c(NC(=O)CCCCCCC(=O)NO)c2)Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAMDRKOAKUVDTO-JXMROGBWSA-N", "SMILES:N#CC(C#N)=C1C=C(/C=C/c2ccc(O)c(NC(=O)CCCCCCC(=O)NO)c2)Oc2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGZCIQCQXQGQBC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAQORFZRFKERHV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJKQXGABHOTUJC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(O)c1)c1cc(-c2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WANNKRNMQLVJJP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(O)ccc1O)c1cc(-c2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZXITFIQNOIBKC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)Nc3ccc(O)c(O)c3)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWOQCDALKWFXML-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)Nc3cc(O)ccc3O)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLNGWSPRECYSQT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(O)c1)c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPVNMKWSFMMGM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(O)ccc1O)c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAZLMLJUUKORIY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(O)c1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCGYVIZXBWTVLQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(O)ccc1O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWCJTFAVMFXOSI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(O)c1)c1cc(-c2ccc(Br)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBIQHNINCPQPT-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(O)ccc1O)c1cc(-c2ccc(Br)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXZLNSANOEMRK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cc(-c2ccc(O)c(O)c2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNACPBBPNFGFB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(-c3ccc(O)c(O)c3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTNUSTWUGVFHOH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(O)c(O)c2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZWWNJPVPFXBW-UHFFFAOYSA-N", "SMILES:O=C(Nc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRRBAPIISLLWFV-ARJAWSKDSA-N", "SMILES:C(=C\\c1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12)\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRRBAPIISLLWFV-ONEGZZNKSA-N", "SMILES:C(=C/c1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12)\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGCFHFMMVVOECJ-UHFFFAOYSA-N", "SMILES:c1cncc(CCc2c[nH]c3ncc(-c4ccc5c(c4)OCC4COCCN54)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCSNUMCRZTIPV-UHFFFAOYSA-N", "SMILES:c1cncc(-c2c[nH]c3ncc(-c4ccc5c(c4)OCC4COCCN54)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWSGADXGCSQOM-UHFFFAOYSA-N", "SMILES:C(#Cc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYYOZZQINTOIS-UHFFFAOYSA-N", "SMILES:C(#Cc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVMYQUIREXJBFM-UHFFFAOYSA-N", "SMILES:C(#Cc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGXJQUTIRHHAX-UHFFFAOYSA-N", "SMILES:Nc1ccccc1C#Cc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCUZWHQOXXWFJU-UHFFFAOYSA-N", "SMILES:Nc1cccc(C#Cc2c[nH]c3ncc(-c4ccc5c(c4)OCC4COCCN54)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUTQLTPPJVGSHA-UHFFFAOYSA-N", "SMILES:Nc1ccc(C#Cc2c[nH]c3ncc(-c4ccc5c(c4)OCC4COCCN54)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIQSSTPTJNYLSQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccccc1C#Cc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQLPMRKCOOHDJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(C#Cc2c[nH]c3ncc(-c4ccc5c(c4)OCC4COCCN54)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUNCUIDEEDXQPR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C#Cc2c[nH]c3ncc(-c4ccc5c(c4)OCC4COCCN54)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBJKELWLEUWVPW-UHFFFAOYSA-N", "SMILES:NCC#Cc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXHFHMEMPWAEE-UHFFFAOYSA-N", "SMILES:NCCC#Cc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBLUVLYXDEFEQ-UHFFFAOYSA-N", "SMILES:CC(=O)NCC#Cc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYSAKULSJWLUPC-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWLBLRECRMFFM-UHFFFAOYSA-N", "SMILES:C(#Cc1cnc2[nH]cc(C#Cc3cccnc3)c2c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFERMSUULXFYJK-UHFFFAOYSA-N", "SMILES:C(#Cc1cnc2[nH]cc(-c3ccc4c(c3)OCC3COCCN43)c2c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKCXKZAVPABCQ-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1ccc(F)cc1)c1ccc2cc(Br)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRCIDOILZVWPL-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=Nn2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nnc2SC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVNNTXHZHFRQP-HAHDFKILSA-N", "SMILES:O=C1Nc2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)ccc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDMTZRACCYRPKR-BKUYFWCQSA-N", "SMILES:O=C1Nc2cc(-c3ccc(NS(=O)(=O)c4ccc(F)c(Cl)c4)cc3)ccc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNSEFROVAUJJA-HAHDFKILSA-N", "SMILES:O=C1Nc2cc(-c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)ccc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYMYODZSXKDJE-XYGWBWBKSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4c(c3)NC(=O)/C4=C\\c3ccc[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMWBCVHETGEMJY-DIBXZPPDSA-N", "SMILES:CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(-c4ccc(NS(=O)(=O)c5ccc(F)c(Cl)c5)cc4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVRZCAHOEXIGTQ-HMAPJEAMSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(-c4ccc(NS(=O)(=O)c5ccc(F)c(Cl)c5)cc4)ccc32)c(C)c1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMNQDFZYJWXMMB-MOSHPQCFSA-N", "SMILES:O=C(Nc1ccc(-c2ccc3c(c2)NC(=O)/C3=C\\c2ccc[nH]2)cc1)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBOIBYRBWPIEL-BOPFTXTBSA-N", "SMILES:O=C1Nc2cc(-c3ccc(O)cc3)ccc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZMFSJICZJNSOU-KQWNVCNZSA-N", "SMILES:O=C1Nc2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)ccc2/C1=C/c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYANSSVDPKLCON-DROSFRCNSA-N", "SMILES:Cc1cc(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCNC2=O)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJRNMLTWRKNGP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(CN2C(=O)N(c3cc(OC)cc(OC)c3)Cc3cnc(Nc4c(C)cccc4NC(=O)C=C)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDWTVHDPMWFSA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(CN2C(=O)N(c3cc(OC)cc(OC)c3)Cc3ccc(Nc4ccc(N5CCN(C)CC5)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOLZUKSMQFAMH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CN2C(=O)N(c3cc(OC)cc(OC)c3)Cc3cnc(Nc4c(C)cccc4NC(=O)C=C)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSQITLDKMIIOJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(CN2C(=O)N(c3cc(OC)cc(OC)c3)Cc3cnc(Nc4ccccc4NC(=O)C=C)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZQNRBLSPCZJQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(CCN2C(=O)N(c3cc(OC)cc(OC)c3)Cc3cnc(Nc4ccccc4NC(=O)C=C)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJGUOQTMJJWMJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1ncc2c(n1)N(CCCN1CCN(C(=O)C=C)CC1)C(=O)N(c1cc(OC)cc(OC)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGVFKBNUCVBYEV-FOWTUZBSSA-N", "SMILES:CN1CCN(c2ccc(/C=C3\\CCc4ccc(Br)cc4C3=O)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQAFHDHVCJDJN-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(N4CCCCCC4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODWRIAARLBMAH-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJPKGUCYWOAPGZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLDHJQFTOZAGEQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c(NS(=O)(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALJNNIXLYPYLZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c(NS(=O)(=O)c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXQCHMWWSBDDT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFACPHVTVEYNN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c(NS(=O)(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISRKEJPJZSCMOM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c(NS(=O)(=O)c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCYJAWXQXZKKW-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYKCLXRCKOZAIU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc3ccccc3s2)c(NS(=O)(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXNMESIEUPFSL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc3ccccc3s2)c(NS(=O)(=O)c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCTAMPFCOFOSRT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)c(NS(=O)(=O)c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQGHVQCCOYNNIX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)c(NS(=O)(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXXXBIVMBQERN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUCJUJWLDXSRD-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYZCMKSJNWGQE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(-c3ccccc3)nn2)c(NS(=O)(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIPJJMASEXRQCV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCJFDVCBTQVEHC-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZWMDFNFBLUSS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c(NS(=O)(=O)c2ccc(-c3ccc(C)s3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COEFGJCCEZMZQA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c(NS(=O)(=O)c2ccc(-c3cnccc3C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIEKRMYPESOSPK-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WODIBNCGFSFTBD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nc3ccccc3s2)c(NS(=O)(=O)c2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQNIIWVSRIPFQD-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDXFDSHXVNPJV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPOALNUSPYGFB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCILIZWWPZTEIN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(Cl)nn2)c(NS(=O)(=O)c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGRKWNZVMXJPW-UHFFFAOYSA-N", "SMILES:O=C(CCN1C(=O)Cc2cc(F)ccc2C1=O)Nc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKVAJBRQGBRHIK-XSFVSMFZSA-N", "SMILES:CCO/N=C1\\c2ccccc2-c2nc(C#N)c(C#N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJEIHIFGHJVNGO-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Cc1nc2c(nc1CS(=O)(=O)CCCC)C(=O)c1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIQHVMPYCIWMGB-VMPITWQZSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1NCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQSWNVADTUTBIA-XBXARRHUSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(Br)c3c2OC(C)(C)C=C3)cc1OCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLHNXILIDCUDBP-XBXARRHUSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(Br)c3c2OC(C)(C)C=C3)cc1NCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROPWMVDLNFEALM-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWRHXHSJSVZKIZ-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAYRGFQFGGGMPL-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFBOKBJTAXHHJP-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cncc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWBJIFCUORJDO-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cncc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAMXYRNYQDFNC-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cncc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCWGSZJIPJTMJ-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cncc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDLPDECQPBBQGD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccnc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCDZLRNSBSIUJQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cncc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEBQEFAGSYHYNX-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJUMLKRLTZJGMJ-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMWGDDJMWABAEN-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNCZYHDXXZOPEH-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHDUCASTVIJUFB-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRANIRBECOFZIY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccccc2NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGWDNTCOQGQHCR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFOBKAFIOGWLEV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HITHEBPPLACRAY-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWTRZPZIWOHQAB-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXSXGTXGHKZLDG-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZYIXEPVLDCDPS-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWLQVKVEOLKHW-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Cc2ccc(NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHZXGTZUPPXIG-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Cc2cccc(NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAHHDFYYRIDZCY-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSAGFJHOOYZFGH-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTMVMZVFBWMCIH-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(CC(=O)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKTVNCRRONGAP-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCJGBYAWIKBMKV-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(CN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPJOTHGHTFYDBV-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(CCN2CCOCC2)cc1"]}
{"name": "Methionine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL6066152"], "id": "UniProtKB:P67578", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:158878"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989727", "category": ["biolink:ChemicalEntity"], "name": "VITAMIN E", "synonym": ["Tocopherol (vit e)", "Vitamin e", "Alpha-tocopherol", "Vitamin e", ".alpha.-tocopherol succinate", "Dl-.alpha.-tocopherol acetate", "Vitamin e", ".alpha.-tocopherol", ".alpha.-tocopherol acetate, dl-", ".alpha.-tocopherol succinate", ".alpha.-tocopherol succinate, d-", ".alpha.-tocopherol, d-", ".alpha.-tocopheryl acetate, dl-", ".alpha.-tocopheryl succinate", ".alpha.-tocopheryl succinate, d-", "5,7,8-trimethyltocol", "All-rac-alfa-tocopheryl acetate", "All-rac-alpha-tocopheryl acetate", "Alpha-tocopherol acetate, dl-", "Alpha-tocopherol succinate", "Alpha-tocopherol succinate, d-", "Alpha-tocopherol, d-", "Alpha-tocopherols", "Alpha-tocopheryl acetate, dl-", "D-alpha tocoferil acid succinate", "D-alpha tocopherol", "D-alpha-tocopherol", "Dl-.alpha.-tocopherol acetate", "Dl-.alpha.-tocopheryl acetate", "Dl-alpha tocopheryl acetate", "Dl-alpha-tocopheryl acetate", "Envirose 100", "R,r,r-.alpha.-tocopherol", "Rrr-alpha-tocopherol concentrate", "Tocopherol succinate", "Tocopherol, d-alpha-", "Tocopheryl acetate, dl-.alpha.", "Tocopheryl acetate,dl-alpha", "Tocopheryl acid succinate", "Tocopheryl acid succinate,d-alpha", "Tocopheryl succinate", "Vitamin e", "Vitamin e (as alpha tocopherol)", "Vitamin e d-alpha", "Vitamin e hemisuccinate", "Vitamin e succinate", "Vitamin e, unspecified form", "Vitamine e succinate", "E-307A", "INS NO.307A", "INS-307A", "J203.513H", "J24.260H", "J24.824J", "J262.912G", "NSC-173849", "NSC-20812", "Aquasol e", "Bio-e-vit", "Davina", "E-caps", "Fort-e-vite", "Fort-e-vite 1000", "Fort-e-vite plus", "Fort-e-vite super plus", "Jarrow for", "Sigma", "Vitamin e component of vitaped", "Alpha tocopherol"], "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL1631216", "category": ["biolink:ChemicalEntity"], "name": "BEDEROCIN", "xref": ["InChIKey:BGJMKHPWCFXMOW-UHFFFAOYSA-N", "SMILES:C=C(F)c1sc(CNCCCNc2cc(=O)c3ccccc3[nH]2)c(C)c1Br"], "synonym": ["Bederocin", "Bederocine", "Bederocina", "REP 8839", "REP-8839", "REP8839", "Bederocin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOQFOZRLPPGNQV-UHFFFAOYSA-N", "SMILES:N=C(NCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1"]}
{"name": "Methionine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL6066151"], "id": "UniProtKB:A0A3N3ZFK4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1351"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSGNRHRHBZNCCW-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OC1CCCCC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLMNRSRFGJKOIV-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OC1CCCCC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFXZSVPBFBTCOZ-WUTOMRCLSA-N", "SMILES:C[C@@H]1CCCC[C@@H]1Oc1ccccc1CN(C)CCN.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBVIKBJAKLDVFX-CKDKJTBNSA-N", "SMILES:CNCCN(C)Cc1ccccc1O[C@H]1CCCC[C@H]1C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFXZSVPBFBTCOZ-UQUANJBCSA-N", "SMILES:C[C@H]1CCCC[C@@H]1Oc1ccccc1CN(C)CCN.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBVIKBJAKLDVFX-SVNBKUCYSA-N", "SMILES:CNCCN(C)Cc1ccccc1O[C@H]1CCCC[C@@H]1C.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBPDJOTZQPYLIY-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OC1CCC(C)(C)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRACZRVUWJAAI-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OC1CCC(C)(C)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSJXZFDLZKRQBP-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OC1CCC(C2CCCCC2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPBKZKHZRWKKAR-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OC1CCC(C2CCCCC2)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMUMLXIBARLAAI-UHFFFAOYSA-N", "SMILES:CCOCC1(COCC)CCC(Oc2ccccc2CN(C)CCN)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHMYLKYERVHQFF-UHFFFAOYSA-N", "SMILES:CCOCC1(COCC)CCC(Oc2ccccc2CN(C)CCNC)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYCMWPMIATZSN-UHFFFAOYSA-N", "SMILES:COCC1(COC)CCC(Oc2ccccc2CN(C)CCN)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQCHXLIWNXUOS-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OC1CCC(COC)(COC)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOPCOJLFDMFKCS-NRFANRHFSA-N", "SMILES:CCOCC1(COCC)CCC(Oc2ccccc2CN(C)C[C@@H](O)CNC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOPCOJLFDMFKCS-OAQYLSRUSA-N", "SMILES:CCOCC1(COCC)CCC(Oc2ccccc2CN(C)C[C@H](O)CNC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHAASUEJBNZOF-IBGZPJMESA-N", "SMILES:CNC[C@H](O)CN(C)Cc1ccccc1OC1CCC(COC)(COC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHAASUEJBNZOF-LJQANCHMSA-N", "SMILES:CNC[C@@H](O)CN(C)Cc1ccccc1OC1CCC(COC)(COC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPEGERVLTUWZPA-UHFFFAOYSA-N", "SMILES:CCOCC1(COCC)CCC(c2n[nH]cc2CN(C)CCNC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVCBFLWXVBFNB-UHFFFAOYSA-N", "SMILES:CNCCNCc1cccc(-c2nc(Nc3cccc(OCCCCCCC(=O)NO)c3)c(C)c(-c3ccnc4[nH]ccc34)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOFDDGDCBGNSJB-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3c(F)c(-c4ccccc4OC)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWVKIQYQFVTIA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IULZWXNTRQMEAI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQODQAWLHWCHSA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGIZAGYFMFTMEX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWIGRVNZCKZAEM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1)c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYIMWIPDGWRUPW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1)c1ccc(F)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSDHARHCJRQXNF-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYSRDKXSWUXMU-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXMYHCWQFBVNSN-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCPMZFRBJIAIQ-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBBWBPORWIHORR-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRCJYLMMBJKPMV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(COc2ccc(C3NCCc4c3[nH]c3ccccc43)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBDFBBFRUYAMGL-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOFCWAPWSRBYLN-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCUMNDWPHKJKFB-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NODQNHSJMFELTR-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccc(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKTOCNUVAFYRMQ-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccc(OC(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBIKYVSMUPBJID-UHFFFAOYSA-N", "SMILES:COc1cc(COc2ccc(C3NCCc4c3[nH]c3ccccc43)cc2OC)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOOWKXDYPKYTBJ-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGHWMRPFXCFHBW-UHFFFAOYSA-N", "SMILES:COc1cc(C2c3[nH]c4ccccc4c3CCN2C)ccc1OC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYJRHSVANEYQX-UHFFFAOYSA-N", "SMILES:COc1cc(C2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPVQXUQHUKKGMR-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(COc2ccc(C3NCCc4c3[nH]c3ccccc43)cc2OC)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOCHFZXBWNOBMV-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)NCCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBXJMIOSMUGZSN-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQRPERRKVKQLMI-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRXIFQXDLDUKDO-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPTSQAMAPLJDSK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKPDKUUWIJCXKY-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEICCGWQHGLSMY-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)NCCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUBUNQHUYRWBCC-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYRDIUJEXBJZSJ-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNC(=O)CSc2nnc(-c3ccc4ncccc4c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKSKFXDDKGSACL-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccc3ncccc3c2)o1)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQAOKGKQRFYGRA-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)CSc2nnc(-c3ccc4ncccc4c3)o2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGCQIDMPGKHWRY-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccc3ncccc3c2)o1)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSPDLOMUBNQTLS-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccc3ncccc3c2)o1)NCCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGKXGQMOBBZTEE-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nnc(-c3ccc4ncccc4c3)o2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYBWTWPFJKTODK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccc3ncccc3c2)o1)NCCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOBGZHHNTYVADA-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccc3ncccc3c2)o1)Nc1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSBUNQKQCWPEA-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJOZFXONOKPEIY-QDDHFQMKSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCn3cc(CCC[N+]4=C(/C=C/C5=C6Oc7cc(OC(=O)C8CC8)ccc7C=C6CCC5)C(C)(C)c5ccccc54)nn3)c2)c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXLLTPEBDZMTO-ZJSKVYKZSA-M", "SMILES:C#CCCC[N+]1=C(/C=C/C2=C3Oc4cc(OC(=O)C5CC5)ccc4C=C3CCC2)C(C)(C)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGUDGLJGUSDQRX-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEQWMSZFVYEBQQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(OCCCC(C)(C)C(=O)NCC(=O)c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTLUNAHZJBQXOD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(Cc2ccco2)C(=O)c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWQUNUXEGFIEI-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYAWHWGGGHHEGB-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNLPQQPFLUMUQU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(CC2CC2)C(=O)c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHQGFNNEONRES-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(CN(CC2CC2)C(=O)NC(C)(C)C)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIUQWYGFAQTSJO-UHFFFAOYSA-N", "SMILES:CCC(C)N(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVXPQUDUYFXRPV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2CN(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUHIFLDAPQCNU-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVFFCQGTBYAFA-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2Cl)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPQZZUNEFQMYNX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccco2)C(=O)c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410683", "category": ["biolink:ChemicalEntity"], "name": "GUGGULSTERONE", "xref": ["InChIKey:WDXRGPWQVHZTQJ-OSJVMJFVSA-N", "SMILES:C/C=C1\\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5559937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQOSMCPHHWJOBB-AFUMVMLFSA-N", "SMILES:O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1566925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKBEPTZEPGVEV-UHFFFAOYSA-N", "SMILES:O=C(O)CCCC(=O)N1CCN(c2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESJXKOKNUGEOQ-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCN(C(=O)CCc2nnc3n(Cc4ccc(F)cc4)c(=O)c4ccccc4n23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWXZJBNEXLQMV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNGUBXKJUIGLQH-UHFFFAOYSA-N", "SMILES:Cc1ccc2ccccc2c1COc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5542271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZWKALXDLNFDO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccco2)C(=O)c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEWPGIHEBGNOR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccco2)C(=O)CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRCFXZLXHMBJQV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccco2)C(=O)CC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYIOAWGABXKHJA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccco2)C(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYIAFCVJWCTHE-UHFFFAOYSA-N", "SMILES:CCNC(=O)N(Cc1ccco1)Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXNVZKDNSCIPLO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccco2)C(=O)NC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEUCQPPQOCCSSA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(C(=O)NC(C)(C)C)C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRXHAGAJXPXFFW-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQAQMUNXOYPRHL-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2cccs2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMBSHGBQOOVNHR-UHFFFAOYSA-N", "SMILES:CCC(C)N(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJIHBOPDCCZBC-UHFFFAOYSA-N", "SMILES:CCC(C)N(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVVXKGVQJFVDAJ-UHFFFAOYSA-N", "SMILES:COCCN(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECKRAOPUOPXMH-UHFFFAOYSA-N", "SMILES:COCCN(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QITOKUAJARSJBB-UHFFFAOYSA-N", "SMILES:COCCN(Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVOWYSXSUEQGH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2CN(CC2CCCO2)C(=O)c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XASYLNVLMDZCEZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(Cc3ccco3)C(=O)c3cccc(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUDHYDVGJPHHSH-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(Cc2ccco2)C(=O)c2cccc(F)c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNYXMVOCASILSR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(Cc3ccco3)C(=O)c3ccccc3F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMBYWBUEUUERE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(Cc3ccco3)C(=O)NC(C)(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGZCZQCZTAWUTH-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPBWLTHIGARETG-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)N(Cc1ccc(F)cc1)Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJVHCKVNANSCV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(CC(C)C)C(=O)c3cccc(F)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1318391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJTMIYKPPPYDRJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1sc2ccccc2c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2314512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEIJOSOCXFPJQX-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCC(=O)O)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSVZKRYAUSULT-UHFFFAOYSA-N", "SMILES:Cc1cc(SCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XATBYPSBZNJZKQ-UHFFFAOYSA-N", "SMILES:Cc1c2c(nn1C)CSCc1cc(n(C)n1)CCc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)[nH]c3c-2cccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WREPOKHXPHVMBY-UHFFFAOYSA-N", "SMILES:COCCOCCn1nc(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccccc3c1)OCCCn1c(C(=O)O)c(C)c3c-2c(Cl)ccc31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFPPLDHQMXCVAD-ZETCQYMHSA-N", "SMILES:CCc1sc2ncnc(N[C@@H](C)C(=O)O)c2c1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5538127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKYIMGFMRFVOMB-KDXMTYKHSA-N", "SMILES:COc1ccccc1-c1nccc(COc2ccccc2C[C@H](Oc2ncnc3sc(-c4ccc(F)cc4)c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)C(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOMNURVTAHAEBQ-JOVQOBAQSA-N", "SMILES:Cc1c(Cl)c2c(Cl)c(C)c1-c1c(-c3ccc(F)cc3)sc3ncnc(c13)O[C@@H](C(=O)O)Cc1cc(ccc1OCc1ccnc(-c3ccc(OC[C@@H]4COCCO4)cc3)n1)OC[C@@H](CN1CCN(C)CC1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORTDLNZBBWXSKF-XMMPIXPASA-N", "SMILES:CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(=O)O)c2c1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDGLJLODQFERPU-GQCTYLIASA-N", "SMILES:CCC1CC/C=C/C(O)C2CCC2CN2CC3(CCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJBGABZIRLDNK-HWKANZROSA-N", "SMILES:CC1C/C=C/C(O)C2CCC2CN2CC3(CCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCZBGAPIVMKKDK-HBUYLHAMSA-N", "SMILES:CN1CC/C=C/[C@H](OCCN2CC(F)(F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)NS(=O)(=O)N(C)C)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWMLIWOCYWXRDD-UHFFFAOYSA-N", "SMILES:Cc1cc(Oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEKXNQLQQLOBSI-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)N(CC1CCC1)CC(c1ccc(Cl)cc1Cl)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTAOBQLOVJBJL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)N(CC1CCC1)CC(c1ccc(Cl)cc1Cl)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWGEQPNKKSGAL-UHFFFAOYSA-N", "SMILES:O=C1NS(=O)(=O)CCOCCCCCCN2CC3(CCc4cc(Cl)ccc43)COc3ccc1cc32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLXRDIJLTBHLLJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)N(CC1CCC1)CC1(CCc3cc(Cl)ccc31)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPPCREYZGGXASK-UNCLPWNHSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCn2cc(CCCN3C(=O)/C(=C4/C(=O)Nc5ccccc54)c4ccccc43)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVUZNQRZUHHLA-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(N3CCN(CCCCN)CC3)n2Cc2nnc(-c3ccc(Cl)c(Cl)c3)o2)n(C)c1=O.O=C(O)C(F)(F)F"]}
{"name": "ADP-sugar pyrophosphatase", "xref": ["CHEMBL.TARGET:CHEMBL4105713"], "id": "UniProtKB:Q9UKK9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFTPIUYKBLYRKF-HXUWFJFHSA-N", "SMILES:C#Cc1cccc(Oc2ccc(-c3nn([C@@H]4CCCN(C(=O)C=C)C4)c4ncnc(N)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHLKLLMMPVSSQY-UHFFFAOYSA-N", "SMILES:CN1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSABXWDTDDUPQ-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1242204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVUOZULIDAKRN-UHFFFAOYSA-N", "SMILES:Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXFCROQDHASCPV-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(-c2nn(C3CCN(C)CC3)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXCXMVYVUHVFLP-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2nnc(-c3ccc(Cl)c(Cl)c3)o2)n(C)c1=O"]}
{"name": "Uridine diphosphate glucose pyrophosphatase NUDT14", "xref": ["CHEMBL.TARGET:CHEMBL4105943"], "id": "UniProtKB:O95848", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQOFBWNXPTVPQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC=C(c2nn(C3CCN(C)CC3)c3ncnc(N)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUVMNWJKTYGQNG-XOAXVKJTSA-N", "SMILES:C[C@]1(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2COCCCCCC(=O)N3C[C@H](F)C[C@H]3C(=O)N2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQLKSRRIAIBRF-RNQXOCHUSA-N", "SMILES:C[C@]1(C(=O)[C@H](CC2=CCCC2)NC(=O)[C@@H]2COCCCCCC(=O)N3C[C@H](F)C[C@H]3C(=O)N2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMSYSGPLPOJUDD-ZPBGSLHZSA-N", "SMILES:C[C@]1(C(=O)[C@H](CC2=CCCC2)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCCCCC(=O)N3CCC[C@H]3C(=O)N2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOJSQRGNAWLXNW-UXHLAJHPSA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVFDDIXOYOVQG-MZJWZYIUSA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWVIUHTVGWXHD-CCVNUDIWSA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4cc5cccc(OC)c5oc4=O)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNNBLXAAOUZTQU-ZVHZXABRSA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4ccccc4)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWWZQJHHKFBMCI-MFKUBSTISA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4ccc(C)cc4)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQNBXUTTXEJJP-DHRITJCHSA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4ccc(F)cc4)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPUJASNZEIXDCM-DHRITJCHSA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4ccc(Cl)cc4)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXKWUELZVLBZPU-DHRITJCHSA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4ccc(Br)cc4)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEYJRXDMOLVDP-LQKURTRISA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4ccc5ccccc5c4)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOKVMKKALUZDIV-ZMOGYAJESA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDOAYTYSQZZOO-AFUMVMLFSA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4ccc(OC)cc4)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJKLATVCVNJRT-WKULSOCRSA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4cc5cccc(OCC)c5oc4=O)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CABSZTHBCGIJHC-CCVNUDIWSA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4cc5ccc(OC)cc5oc4=O)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWSKCNMFSKKLS-XODNFHPESA-N", "SMILES:CCOc1cccc2cc(/C(C)=N/Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUDHZNHUHNIFIK-SXGWCWSVSA-N", "SMILES:O=C(CN1C(=O)S/C(=C\\c2cccs2)C1=O)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCYFOMIBKDLXCD-DHZHZOJOSA-N", "SMILES:Cc1nc(-c2cc3ccccc3oc2=O)ccc1C(=O)/C=C/c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSIAPQOQJYKIKA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)c1cc2ccc(O)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZVNWJNWFJKCB-SRZZPIQSSA-N", "SMILES:C/C(=N\\NC(=S)Nc1ccc(Br)cc1)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHOBZXQZVXHBM-UHFFFAOYSA-N", "SMILES:COc1cc(CCN)c(OC)cc1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5527952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCASESLVDHSAW-UHFFFAOYSA-N", "SMILES:COc1cc(C2CNC2)c(OC)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSXIERMNSJEFOE-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCNC2)c(OC)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMIFTRWDVOHLPQ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCNC2)c(OC)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODYWSQSRQMSOZ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCNC2)c(OC)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRIRLHBQCNWVRB-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCNC2)c(OC)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZKYTYHIERLZBG-VIFPVBQESA-N", "SMILES:COc1cc(C(F)(F)F)c(OC)cc1[C@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZKYTYHIERLZBG-SECBINFHSA-N", "SMILES:COc1cc(C(F)(F)F)c(OC)cc1[C@@H]1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDQVNPJVZMKTC-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCNC2)c(OC)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHHVNHZPRDGJD-UHFFFAOYSA-N", "SMILES:CCc1cc(OC)c(C2CCCNC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZNFJXFISDJFEV-UHFFFAOYSA-N", "SMILES:CCCCc1cc(OC)c(C2CCCNC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSOBAYIJUDILOJ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCNC2)c(OC)cc1SC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTWWHMHPTKSAHC-UHFFFAOYSA-N", "SMILES:CCSc1cc(OC)c(C2CCCNC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWAKJYASECCTBF-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCNC2)c(OC)cc1SC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJHXMHMDJQESG-SECBINFHSA-N", "SMILES:COc1cc([C@@H]2CCCNC2)c(OC)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRHMZNZLGQXKI-JTQLQIEISA-N", "SMILES:COc1cc(C(F)(F)F)c(OC)cc1[C@H]1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRHMZNZLGQXKI-SNVBAGLBSA-N", "SMILES:COc1cc(C(F)(F)F)c(OC)cc1[C@@H]1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIABCYLGIZSWTL-LLVKDONJSA-N", "SMILES:CCN1CCC[C@@H](c2cc(OC)c(C(F)(F)F)cc2OC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJYZPNSWHOIRS-UHFFFAOYSA-N", "SMILES:COc1cc(C(F)(F)F)ccc1C1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIIIJJKJMZLUFT-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCNC2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBAQJPPUAWGFY-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(F)(F)F)c(OC)cc1C1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVAGXSNYNQZEMZ-UHFFFAOYSA-N", "SMILES:CCOc1cc(C2CCCNC2)c(OC)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOZTZRDKCNMWKY-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(F)(F)F)c(OCC)cc1C1CCCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULJHXMHMDJQESG-VIFPVBQESA-N", "SMILES:COc1cc([C@H]2CCCNC2)c(OC)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL136354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYXGNMLWYONZID-UHFFFAOYSA-N", "SMILES:COc1cc(C(F)(F)F)c(OC)cc1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDAISGIUGURCID-SANMLTNESA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUQRTJFTIZQBO-LJAQVGFWSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CCN(CC(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLKHFWDLAGSMY-SANMLTNESA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CCN(CC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCZSKQTXTVBOR-XTCXTYGJSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CCN(CC(=O)Nc2ccc(-c3ccc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWABPMVYDRUUHI-QNEOAKRWSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CCN(CC(=O)Nc2ccc(-c3ccc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEAATJKINAKBPS-XASUVLGYSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CCN(CC(=O)Nc2cnc(-c3ccc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMOOMEPDHZVWFQ-XTCXTYGJSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CCN(CC(=O)Nc2ccc(-c3ccc(CNc4cccc5c4C(=O)N(C4CCC(=O)N(C)C4=O)C5=O)cc3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZCHMQLAUVHTNM-RQVKAFHBSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CCN(CC(=O)Nc2cnc(-c3ccc(CNc4cccc5c4C(=O)N(C4CCC(=O)N(C)C4=O)C5=O)cc3)nc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULEPLFQNICAYHA-SNAWJCMRSA-N", "SMILES:Cc1ccc(/C=C/CN2CCN(C(=O)CCC(=O)Nc3ccccc3O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOAFCLCBYDTTL-SWMHYREXSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)CNC(=O)/C=C/c3cccnc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFRNVAHAKLYGTH-UENHJXRBSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)CCNC(=O)/C=C/c3cccnc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOOHNFGZOXACR-ACNCGDMISA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)CCCNC(=O)/C=C/c3cccnc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLCBRQFDVVWJFH-TWELOPNOSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)CCCCNC(=O)/C=C/c3cccnc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAEUYPCMUSLGAP-MYBXMLRASA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCN(C(=O)/C=C/c4cccnc4)C3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DACYYKWDCIPOGP-JWFSSGQFSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCN(C(=O)/C=C/c4cccnc4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3947537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCGDPJCUIKLTDU-SUNYJGFJSA-N", "SMILES:Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@H](C)F)n2)ncc1-c1ccnc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHWSLFWRLAKOI-RXFWQSSRSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cc5ncccc5o4)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQSJWTXUQGYKQ-KDYSTLNUSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)COc4cccnc4)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUGXAZZRCUJNCP-KDYSTLNUSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)NCc4cccnc4)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIPKLUVSTOVOJP-RXFWQSSRSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cccnc4)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPWBBFZMGAXNEI-UQBPGWFLSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cnccn4)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HENWOYNKEJWJFG-KDYSTLNUSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4ccc5nccn5c4)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATTQQXUBQXXJTH-CCLHPLFOSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cnc5[nH]ccc5c4)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAOYFKPOWCMSDM-WTYVLRPYSA-N", "SMILES:CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cc5cnccc5[nH]4)cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOERMTQDMCBSJS-PJDWXPNFSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGBSYRTDZRTKZ-RKAQUQNXSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAWQISNPDMQAOJ-KNTDDGRESA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDCSGQRQNDVXAO-CQDXIZGSSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHGRCPKRJGSNN-DLLPINGYSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIKOLUQQZVSWSZ-NGQVCNFZSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMSLMETZNCRLFZ-QFWOEDSFSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXVQQDDOXHWSX-CUVVAGTFSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODUOXJBXDHDHN-QFWOEDSFSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDZMKCKTWCCZGF-CUVVAGTFSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHMMDDJEZYLBOK-KWAKIAEVSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTTOWVAZFZVQQO-OUDXUNEISA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMBAEHJPBDUFA-OUDXUNEISA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZUSRQXPNDSYKD-SORWWPGSSA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDZMIZXYYSSKGP-XHNVNVPESA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGZXLXHMOZVDZ-XHNVNVPESA-N", "SMILES:C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RILYOAAADBABEY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(F)F)c(OCC3CC3)c2)N(C(=O)SCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIQTFUYTZJKQQ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2cccc(Oc3ccccc3)c2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1609401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXIFAGSMRPHYTK-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NC(=O)NC(C)=C2C(=O)OCC2CCCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAXAXFJCVKMHHY-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C(=O)OCC3CCCCC3)=C(C)NC(=O)N2C(=O)OCC2CCCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLORIBYRNPRLI-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C(=O)OCc3ccccc3)=C(C)NC(=O)N2C(=O)OCc2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJNAAQOULOVIDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C(=O)OCC3CCCC3)=C(C)NC(=O)N2C(=O)OCC2CCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJUIZWCAWBIOT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C(=O)OCC3CCCCC3)=C(C)NC(=O)N2C(=O)OCC2CCCCC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BREJIFZYPQFFKA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(Cl)nc2)N(C(=O)OCC2CCCCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDEJAZMHKPFJJC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(F)F)c(OCC3CC3)c2)N(C(=O)OCC2CCCCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLPPDMMCXRJTBJ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(F)F)c(OC(F)F)c2)N(C(=O)OCC2CCCCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVTOIPFTHOYZDJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1C(=O)NC(C)=C(C(=O)OCC2CCCCC2)C1c1ccc(OC(F)F)c(OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWWIBGFPSFVNKJ-SAPNQHFASA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(F)F)c(OCC3CC3)c2)N(C(=O)/C=C/c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQCKYWAMGRUFL-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1C(=O)NC(C)=C(C(=O)OCC2CCCCC2)C1c1ccc(OC(F)F)c(OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOZKRHBAFZACBZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(F)F)c(OCC3CC3)c2)N(C(=S)Oc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQZDWKADHXMHNZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2cccc(OCC3CC3)c2)N(C(=O)SCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISJJFGJBRMFCH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(F)F)cc2)N(C(=O)SCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDDBDXROLQGKL-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(=O)N(C(=O)OCC2CCCCC2)C1c1ccc(OC(F)F)c(OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFLFTNFLMYHSP-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C)NC(=O)N(C(=O)SCc2ccccc2)C1c1ccc(OC(F)F)c(OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFALIROBZSOHY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(F)F)c(OCC3CC3)c2)N(C)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDAAMZUZFTZRSZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(F)F)c(OCC3CC3)c2)N(Cc2cccc(F)c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQOZZAOKGFOHLA-QGMBQPNBSA-N", "SMILES:CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(F)F)c(OCC3CC3)c2)N(/C=C/Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEXDVNADCPOSMP-IQOUGVAMSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@H](C(N)=O)C(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRASDHDXDQTYSL-GECUSOFISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCN1CCC(Cc2ccccc2)CC1)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUXBOAABFPOSGQ-JGLGAHODSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](CC(C)C)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSFKANBBKOJQG-ZKUUFLNTSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPKBOJGYXDDTFQ-JGTVIKBFSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLFNAHDPAHKVGI-DRZUEJPRSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWSOJKSTLDISA-USJQUVPZSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDOGMKPFIDAPKN-JGLGAHODSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCc3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLFNAHDPAHKVGI-FSNNUDCPSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJSQYJQRTVEKU-WXOBWUEKSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CCC(=O)N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDROTCMDROEXBL-ZCSXUZBYSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYVNNUWKSJTBPV-ZCSXUZBYSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBAMSGNONDBVQQ-XTWRPRLWSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBAMSGNONDBVQQ-SAMKEAQCSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJSQYJQRTVEKU-JOVYHXDPSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)CCC(=O)N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LACSFGSGDDGEJW-ZCSXUZBYSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFJNHXPQPGBKM-VOQSQWAPSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGUBSSSWONJGR-LARFQZFHSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2c(ccc3ccccc23)CN(CC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDCNRZHAQPRQHC-GQUAHRSSSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2c(ccc3ccccc23)CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHKNITBSUKTBIO-ZKUUFLNTSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCN)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOSRYHVNSRYEFR-VOQSQWAPSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHHVETMAFITUKX-VOQSQWAPSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVHXCVGCVBFCY-SIAPTGDMSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(CCCCN)CC(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCRBSMHGICBIE-YZCUXXIVSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHQKBCBMDICSS-XOSRQJHASA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCNC(=O)c1cccnc1)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COOZLFSJUVGUQW-HNEDZSFYSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHOFKDUBKHCEG-OJVAIYOMSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNHKYFXFXMWWSB-GAEWZJCOSA-N", "SMILES:N=C(N)NCCC[C@@H](NC(=O)[C@@H]1Cc2ccc(O)cc2CN1)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQAFSYXROGCRFB-LKZWIQFFSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](NC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URKDJKGNFFMVBZ-AOOBZILBSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@H](C(N)=O)C(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODMPTNFKLMDFJY-ACKDRGHLSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2c(ccc3ccccc23)CN(CC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@H](C(N)=O)C(C)C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUGKNHJEJSAKJ-CAZZMFJCSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNAZXPPYTJRQHE-ZTNCMTBISA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2c(ccc3ccccc23)CN(CC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJNQYGMZQYSMPK-NEPFKXFBSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFSXJYBUPEOJY-KDFCSQSNSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@H]1Cc2c(ccc3ccccc23)CN(CC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWPPBCKSBPSWSL-MHUYZAHMSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CCCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWRSTWQAXLGOU-MLSIMLKSSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCYPBJLKPXDMF-AGKBCSFLSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@H]1Cc2c(ccc3ccccc23)CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRFOQHHFWYWAST-UHFFFAOYSA-N", "SMILES:FC(F)c1c(Br)c(Br)cc2c1nc(N1CCNCC1)n2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKXIVJCSIJJLPI-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccc(Cl)cc3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANAMKFOPOODAH-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3cccc(Cl)c3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMXXGDKPPGHBSW-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3Cl)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMNVDBRPFWXVEU-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3c(F)cccc3Cl)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTCIGSNUPFHZPK-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKHBHVHWBDNKI-UHFFFAOYSA-N", "SMILES:CC1(c2ccccc2)CCCN1c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)c(Oc3cnc4[nH]ccc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJKZIXIAJKBXIJ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCC3c3ccccc3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEVMACECLXEOG-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCCC3c3ccccc3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTXYHNHNLNFVPX-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCC(c4ccccc4)C3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTXGQGNXDFLMZ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(C3CCCN3c3ccccc3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVVNSMJZMSLLSA-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3cccnc3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQRNREQOWJGSKO-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3C3CCCCC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMQLMNIQYCUZLM-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3F)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFKRQHNIKFHRC-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3-c3ccccc3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOFXFVHHJQMHA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1CCCN1c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)c(Oc3cnc4[nH]ccc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUJKFAUBPGKIER-UHFFFAOYSA-N", "SMILES:CCc1ccccc1C1CCCN1c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)c(Oc3cnc4[nH]ccc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUYMDUCFGJPBLP-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1C1CCCN1c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)c(Oc3cnc4[nH]ccc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLQZEPCBHEEFG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccccc1C1CCCN1c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c([N+](=O)[O-])c3)c(Oc3cnc4[nH]ccc4c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAAZYOXXBPRYRS-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAAZYOXXBPRYRS-VQJSHJPSSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCC[C@@H]3c3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAAZYOXXBPRYRS-RWYGWLOXSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCC[C@H]3c3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHBQVKLJXQECP-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3C3CCC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDFPCJNTGMVKU-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3C3CCCC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWZUOLYZYCVPO-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3C3CCCCC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZCAVRLZHKRBTH-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3Cc3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZIDJKATSPFBKN-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3C3CC3)c(F)c2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPPAQAOUMVRMY-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3C3CC3)cc2F)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEONNDBBHWKUBG-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3C3CC3)cn2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTSXBUNPHOTHJ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(CN3CCCC3c3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFVAXTDSMFBYNW-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(CCN3CCCC3c3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSHFNAPMVBRGB-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cc2ccc(CN3CCCC3c3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRIOKOVCFVFGSJ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cc2ccc(N3CCCC3c3ccccc3C3CC3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUPPZJBPDAYDPY-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CC(N4CCCC4c4ccccc4C4CC4)C3)cc2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJYVMQRIKFTRG-FSNMRTGDSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(C2CCC(N3CCCC3c3ccccc3C3CC3)CC2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPUFHZYGWVTYBG-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(C2=CCC(N3CCCC3c3ccccc3C3CC3)CC2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPKVSVJCEXNAHM-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC(N3CCCC3c3ccccc3C3CC3)CC2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWLZLYIMKSMNRL-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(C2=CCC(CN3CCCC3c3ccccc3C3CC3)CC2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCEQONYGQQAIEI-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CC(CN3CCCC3c3ccccc3C3CC3)C2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSQSANYFAMVOB-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC(CN3CCCC3c3ccccc3C3CC3)CC2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXFXSGHRVGVIZ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCCC2c2ccccc2C2CC2)C3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXFXSGHRVGVIZ-WBCKFURZSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCC[C@H]2c2ccccc2C2CC2)C3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVXFXSGHRVGVIZ-HUESYALOSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCC[C@@H]2c2ccccc2C2CC2)C3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXZNVBFTWMCAIT-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CC3(CC(N4CCCC4c4ccccc4C4CC4)C3)C2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASUKKSOJMDBKGX-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CC3(CC(CN4CCCC4c4ccccc4C4CC4)C3)C2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXPJUFDUWTXEQC-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(CN2CCCC2c2ccccc2C2CC2)C3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJXKCJITJILDN-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC(C3CC(N4CCCC4c4ccccc4C4CC4)C3)CC2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMORTGCXYPVSNR-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CC(N3CC(N4CCCC4c4ccccc4C4CC4)C3)C2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXQQEPVIVMSWAJ-NTBHCVMNSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CC3CC(N4CCC[C@H]4c4ccccc4C4CC4)CC3C2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORZUFNOOMDCXOS-KDXMTYKHSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCC[C@H]2c2ccccc2Cl)C3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USLQMSCWXYWOMC-KDXMTYKHSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCC[C@H]2c2cccc(Cl)c2)C3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5554998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTNTVWEUKKZDA-KDXMTYKHSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCC[C@H]2c2ccc(Cl)cc2)C3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBETUWACBRAPSX-KDXMTYKHSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCC[C@H]2c2ccccc2Br)C3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGACDWUYMXZPME-FAIXQHPJSA-N", "SMILES:Cc1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQLQJPCXNPDNY-RWYGWLOXSA-N", "SMILES:CCc1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLRIOMZLSLAWHG-WBCKFURZSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNILCGKEUKJHBD-QLKFWGTOSA-N", "SMILES:CC(C)Cc1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEONUEYLWRESRU-QLKFWGTOSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCC[C@H]2c2ccccc2C2CCC2)C3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJCPQNUOGQCEV-KDXMTYKHSA-N", "SMILES:COc1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWJOJMXGYYZLV-FAIXQHPJSA-N", "SMILES:CCOc1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGYMYFGAZFZKU-RWYGWLOXSA-N", "SMILES:CC(C)Oc1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYSRLCAYZIFUDC-RWYGWLOXSA-N", "SMILES:COCc1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNFJBUKNHJEPL-RWYGWLOXSA-N", "SMILES:CN(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHZVBPKSQQFKHI-QLKFWGTOSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCC3(CC2)CC(N2CCC[C@H]2c2ccccc2N2CCCC2)C3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJAKJYYSKNZAU-JRLAMPGQSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5C6COCC56)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKPNSBILGYSGE-RLQUIEGJSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CC6COCC6C5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIWLSGNPKAUJJL-QLKFWGTOSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCN(C)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUKLAIKOIDTEB-WBCKFURZSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCC(F)(F)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314951", "category": ["biolink:ChemicalEntity"], "name": "SONROTOCLAX", "xref": ["InChIKey:ZQTKOYMWCCSKON-XKXNWSITSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@H]5CC[C@](C)(O)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"], "synonym": ["Sonrotoclax", "Sonrotoclax", "Sonrotoclax", "Bgb 11417", "Bgb-11417", "Sonrotoclax", "BGB-11417", "BGB11417", "Sonrotoclax"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTKOYMWCCSKON-IOLMNHQTSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@H]5CC[C@@](C)(O)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXASAHBKOYFLH-POXDGNKASA-N", "SMILES:CO[C@]1(C)CC[C@@H](CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCC5(CC4)CC(N4CCC[C@H]4c4ccccc4C(C)C)C5)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEOFRNNPVLILNV-HXOSKORISA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@H]5COCCO5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEOFRNNPVLILNV-OCUJDILZSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@@H]5COCCO5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCRITWDMQOUKZ-BFIWAFJNSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4cc5c(c([N+](=O)[O-])c4)NC(CN4CCOCC4)C5)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGNYMGBSLHUODJ-ABUZLUSGSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4cc5c(c([N+](=O)[O-])c4)NC(C4CCOCC4)CO5)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUMMYWJZYKBNF-CWTKEZLWSA-N", "SMILES:CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4cc5c(c([N+](=O)[O-])c4)N[C@H](C4CCC(C)(O)CC4)CO5)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNBXDBIYRAPDPI-BHVANESWSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NC[C@H]2COCCO2)c([N+](=O)[O-])c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC4(CCC4)CC3)CC2)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314523", "category": ["biolink:ChemicalEntity"], "name": "LACUTOCLAX", "xref": ["InChIKey:CCDRQWAEZGRMTP-WJOKGBTCSA-N", "SMILES:C[C@@H]1CN(c2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c2cc3cc[nH]c3nc2O1"], "synonym": ["Lacutoclax", "Lacutoclax", "Lacutoclax"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUTLOBRIOLIRSO-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(CN2CCCn3nc(-c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5cnc6[nH]ccc6c5)c4)cc32)=C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPRHYXBZQWXGEF-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2cc3n(n2)C(c2ccc(Cl)cc2)CCN3)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJICFKADEHUMJZ-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(N3CCCC3c3ccccc3C3CC3)cc2Cl)cc1Oc1cnc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEQCXGYERMCXNL-UHFFFAOYSA-N", "SMILES:Cc1cnc2c(NC(=O)c3cn4cc(C56COC(C)(C5)C6)nc4nc3OC(C)C)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDYXODGBCKMHEQ-UHFFFAOYSA-N", "SMILES:COc1cnc2c(NC(=O)c3cn4cc(C56COC(C)(C5)C6)nc4nc3OC(C)C)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOYTWQNKPRLFPA-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1ccn(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPVPGXPSNNYLU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1ccn(CC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKXXUIBLSJUDD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1ccn(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYSLGHRYSLXJLW-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2ccc(NC(=O)c3cn4cc(C56COC(C)(C5)C6)nc4nc3OC(C)C)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSPJVYMCMFMJB-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBJFAKJLGLVESB-UHFFFAOYSA-N", "SMILES:CCn1cccc(NC(=O)c2cn3cc(C45COC(C)(C4)C5)nc3nc2OC(C)C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJZLDWBCAMPSMG-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn(C2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQIBYYUFQBHIQ-BWENYBOQSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWTPYKWGULDCHU-RSXWNGMKSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPKPMVFVSBJLFR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn(C2(C)CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCEBGMPIMYPYSN-GOEXMDPHSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn([C@H]2CC[C@H]2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBSBKVLLPFDCM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn(C2COC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDFCADVGWZPISS-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C3)C4)cn2cc1C(=O)Nc1cccn(C2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IESJCLOLQUIDJP-IAFBCQBWSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C3)C4)cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTKYPLULJFZYGZ-UHFFFAOYSA-N", "SMILES:COCC12CC(c3cn4cc(C(=O)Nc5cccn(C6CC6)c5=O)c(OC(C)C)nc4n3)(CO1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYPKZFWUBUKFE-GOEXMDPHSA-N", "SMILES:COCC12CC(c3cn4cc(C(=O)Nc5cccn([C@H]6C[C@H]6F)c5=O)c(OC(C)C)nc4n3)(CO1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZMGYPMSBWYDHD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(CF)(C3)C4)cn2cc1C(=O)Nc1cccn(C2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYPKZISYTWRSZ-BWENYBOQSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(CF)(C3)C4)cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPFUNMGHAHWSJ-DQEYMECFSA-N", "SMILES:CC(C)Oc1nc2nc([C@@]34CC[C@@](C)(C3)OC4)cn2cc1C(=O)Nc1cccn(C2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQWJRRHYDCRKIR-LSRSIBRKSA-N", "SMILES:CC(C)Oc1nc2nc([C@@]34CC[C@@](C)(C3)OC4)cn2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUVJONRFFZVOBU-UIOOFZCWSA-N", "SMILES:COC[C@@]12CC[C@@](c3cn4cc(C(=O)Nc5cccn(C6CC6)c5=O)c(OC(C)C)nc4n3)(CO1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIZVMYNHSUYBOG-NDKONCKKSA-N", "SMILES:COC[C@@]12CC[C@@](c3cn4cc(C(=O)Nc5cccn([C@H]6C[C@H]6F)c5=O)c(OC(C)C)nc4n3)(CO1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1825022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQWKIKZVPFDLN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(c2ccc(C#N)cc2)n2nccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIMAXNWIBCVIQO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(c2ccc(C#N)cc2)n2ccnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXNUXGEADQDBY-CABCVRRESA-N", "SMILES:C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2sc(-c3cccc4[nH]ccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4435029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQLLTCGLMHNRO-KGLIPLIRSA-N", "SMILES:C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2sc(-c3cccc(O)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4515125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWITACCCGFVAA-MNOVXSKESA-N", "SMILES:C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2sc(-c3cn[nH]n3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5400479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFGRJEDDLDJVFO-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCn4cc(CCCCCN5CCC(NC(=O)c6n[nH]cc6NC(=O)c6c(Cl)cccc6Cl)CC5)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5435663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZUENRHOXLKRD-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCn4cc(CCCCN5CCC(NC(=O)c6n[nH]cc6NC(=O)c6c(Cl)cccc6Cl)CC5)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5425784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYDJYODLBQPRD-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCCn4cc(CCCCN5CCC(NC(=O)c6n[nH]cc6NC(=O)c6c(Cl)cccc6Cl)CC5)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5432607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIUVTWBLWUJBEY-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCn4cc(CCCCCCN5CCC(NC(=O)c6n[nH]cc6NC(=O)c6c(Cl)cccc6Cl)CC5)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5412043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWBTXSGZFJYEH-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCCn4cc(CCCCCN5CCC(NC(=O)c6n[nH]cc6NC(=O)c6c(Cl)cccc6Cl)CC5)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5437113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYIIOGMBKKCCZ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCCCCCn4cc(CCN5CCC(NC(=O)c6n[nH]cc6NC(=O)c6c(Cl)cccc6Cl)CC5)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSNPVEIUSQQSBW-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCn4cc(CCCCCCCCCCN5CCC(NC(=O)c6n[nH]cc6NC(=O)c6c(Cl)cccc6Cl)CC5)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5408669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUPYASGRVZCKP-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCCCCn4cc(CCCCCCCN5CCC(NC(=O)c6n[nH]cc6NC(=O)c6c(Cl)cccc6Cl)CC5)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5421101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFWQGGOBVSJKDT-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(OCCCCCCCCn4cc(CCCCCCN5CCC(NC(=O)c6n[nH]cc6NC(=O)c6c(Cl)cccc6Cl)CC5)nn4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIKWHQPZZTVNN-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(-c4cnnn4CCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXUDYUAPKWNMAJ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(-c4cn(CCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSJLYFKBQPLLIP-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(-c4cnnn4CCOCCOCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWZBHIUJSIXBNL-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(-c4cn(CCOCCOCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL177403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJCCUUBHNGTDNN-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1196954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COXVLBFQMLJUHG-UHFFFAOYSA-N", "SMILES:O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKEBVIMUGTZZBL-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVAYPHGEGDDSJN-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)c4cn(-c5ccccc5Cl)nn4)cc3F)ccnc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNMBRQGSUPEUQX-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc(NC(=O)C4=NN(c5ccccc5F)C(=O)C4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMABVNQSRTPAG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cc2cnc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSXVZEHLULPLAW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(F)c1Nc1cc2cnc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAINLRHWESJBSA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cc2cnc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDXPFCZJGCAIK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(F)c1Nc1cc2cnc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYROUGJBDMKLG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(N2CCN(CC)CC2)c(F)c1Nc1cc2cnc(-c3c(F)c(OC)cc(OC)c3F)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOUJQCVYIUPIJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1cc2cnc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYWQWHSYZZRPE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C)cc1Nc1cc2cnc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGHDKGCESXSAS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C)ccc1Nc1cc2cnc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDHUONDWKJKLE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCOCC2)ccc1Nc1cc2cnc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKZCLQWUBOUWAM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cc2c(C)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTIAXDZIHRRGIF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cc2c(CC)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWOKLIZODHOMT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cc2c(C3CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHROOOQUMUVQDS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cc2c(-c3ccccc3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWBKWVCJFLYCC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cc2c(-c3cccnc3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYHQMHWJOORRK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cc2c(-c3cnn(C)c3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVFQPGRWNUDCZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cc2c(-c3ccc[nH]3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTPDKJRAKCAXIA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1cc2c(-c3ccco3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLGBFCNSBOLUFH-CYBMUJFWSA-N", "SMILES:N#CN1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C(=O)c2cc(-n4ccnn4)ccc2F)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNWCMFCXOWNZOQ-LJQANCHMSA-N", "SMILES:CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCc4nc(NC(=O)[C@@H]5CCN(C#N)C5)sc4C3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDCEUZVEWFKMP-QGZVFWFLSA-N", "SMILES:N#CN1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C(=O)c2cccc(S(=O)(=O)N4CCOCC4)c2)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKNXBWPRUWDNK-CYBMUJFWSA-N", "SMILES:N#CN1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C(=O)c2cccc(O)c2)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWYJEEVXHRFKLL-OAHLLOKOSA-N", "SMILES:N#CN1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C(=O)c2ccc(Cl)c(N4CCCS4(=O)=O)c2)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIAJBQUYOOIDB-OAHLLOKOSA-N", "SMILES:N#CN1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C(=O)c2cccc(S(=O)(=O)NC4CC4)c2)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWVCIEJNLAQWOK-GFCCVEGCSA-N", "SMILES:N#CN1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C(=O)c2cnc(-c4cccs4)s2)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOJCUTVCEASLBA-LJQANCHMSA-N", "SMILES:COc1ccc(C(=O)N2CCc3nc(NC(=O)[C@@H]4CCN(C#N)C4)sc3C2)cc1S(=O)(=O)N1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBPSBZFSQKDFR-OAHLLOKOSA-N", "SMILES:N#CN1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C(=O)c2cccc(-c4ncon4)c2)CC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYHBPWGSFGNRU-QGZVFWFLSA-N", "SMILES:Cc1csc(-c2cccc(C(=O)N3CCc4nc(NC(=O)[C@@H]5CCN(C#N)C5)sc4C3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJLTQVUFQLMFN-CQSZACIVSA-N", "SMILES:Cc1cc(C(=O)N2CCc3nc(NC(=O)[C@@H]4CCN(C#N)C4)sc3C2)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWTKBXBFMHUQPZ-MGBGTMOVSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(CCCCc1cn(CC(=O)N3CCN(S(=O)(=O)c4cccc(C(=O)N5CCc6nc(NC(=O)[C@@H]7CCN(C#N)C7)sc6C5)c4)CC3)nn1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEBRAICCIXTAPE-USYZEHPZSA-N", "SMILES:CC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCc3cn(CC(=O)N4CCN(S(=O)(=O)c5cccc(C(=O)N6CCc7nc(NC(=O)[C@@H]8CCN(C#N)C8)sc7C6)c5)CC4)nn3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNDJLDKJZUUSK-AREMUKBSSA-N", "SMILES:CC1=CC(C)=[N+]2C1=C(CCCCc1cn(-c3ccc(F)c(C(=O)N4CCc5nc(NC(=O)[C@@H]6CCN(C#N)C6)sc5C4)c3)nn1)c1c(C)cc(C)n1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYXHBGFMRXYMDW-DIPNUNPCSA-N", "SMILES:CC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCc3cn(-c4ccc(F)c(C(=O)N5CCc6nc(NC(=O)[C@@H]7CCN(C#N)C7)sc6C5)c4)nn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGJWYVLBDWMYDC-SEUBTSBCSA-N", "SMILES:O=C(N[C@@H]1C[C@@H](C(=O)NC(CCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)N(C(=O)c2cnoc2C2CC2)C1)c1c[nH]nn1"]}
{"name": "N-acetylated-alpha-linked acidic dipeptidase 2", "xref": ["CHEMBL.TARGET:CHEMBL2609"], "id": "UniProtKB:Q9Y3Q0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGIMSGNEZGNIDP-IANOAQMISA-N", "SMILES:O=C(N[C@@H]1C[C@@H](C(=O)NCCCCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)N(C(=O)c2cnoc2C2CC2)C1)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQPJYGLSNFRAF-IANOAQMISA-N", "SMILES:O=C(N[C@@H]1C[C@@H](C(=O)NCCOCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)N(C(=O)c2cnoc2C2CC2)C1)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBHXBUUHHIMJLV-QFIPXVFZSA-N", "SMILES:O=C(N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)O)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYXSLHTVYZMNN-MSLDTUSLSA-N", "SMILES:CC(=O)N1C[C@H](NC(=O)c2c[nH]nn2)C[C@H]1C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKJXCVSDKZAOAI-UBUDTRSQSA-N", "SMILES:CC(C)c1oncc1C(=O)N1C[C@H](NC(=O)c2c[nH]nn2)C[C@H]1C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSBVXZOWAWWPP-SEWFUGIKSA-N", "SMILES:O=C(N[C@@H]1C[C@@H](C(=O)N[C@@H](CCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)N(C(=O)c2cnoc2-c2ccccc2)C1)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVZJBVBYFWMOY-UBUDTRSQSA-N", "SMILES:CC(C)c1nocc1C(=O)N1C[C@H](NC(=O)c2c[nH]nn2)C[C@H]1C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZVPBNDHMCDEG-HRUHZFIUSA-N", "SMILES:O=C(N[C@@H]1C[C@@H](C(=O)N[C@@H](CCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)N(C(=O)c2c[nH]nn2)C1)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWQHRYDNZULRDN-QAADHGQJSA-N", "SMILES:O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)NCCCC[C@H](NC(=O)[C@@H]3C[C@@H](Cc4c[nH]nn4)CN3C(=O)c3cnoc3C3CC3)C(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGJWYVLBDWMYDC-ZVDSLUNQSA-N", "SMILES:O=C(N[C@@H]1C[C@@H](C(=O)N[C@H](CCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)N(C(=O)c2cnoc2C2CC2)C1)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHAZITYYCGMBQX-LZOPWLNASA-N", "SMILES:COC(=O)[C@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1cnoc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXFMWEHUGNMXFC-FWEOMDSASA-N", "SMILES:O=C(N[C@@H]1C[C@@H](C(=O)N[C@@H](CNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)N(C(=O)c2cnoc2C2CC2)C1)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLJPTJUSMKZIW-YIUNNBJSSA-N", "SMILES:O=C(N[C@@H]1C[C@@H](C(=O)N[C@@H](CNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)N(C(=O)c2c[nH]nn2)C1)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPWCJLPWADSPOW-MATHUIJASA-N", "SMILES:N=c1ccc2c(-c3ccc(C(=O)NCCCC[C@H](NC(=O)[C@@H]4C[C@@H](NC(=O)c5c[nH]nn5)CN4C(=O)c4cnoc4C4CC4)C(=O)O)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKXXHJPCNGEKT-SOGDBTKUSA-N", "SMILES:COc1ccc(C2=[N+]3C(=Cc4c(C)c(CCC(=O)NCCCC[C@H](NC(=O)[C@@H]5C[C@@H](NC(=O)c6c[nH]nn6)CN5C(=O)c5cnoc5C5CC5)C(=O)O)c(C)n4[B-]3(F)F)C=C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMMDLLNJWIXDBF-KCJUWKMLSA-N", "SMILES:O=C(N[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2cnoc2C2CC2)C1)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUXYAWYRBTVGPE-INWMFGNUSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1cnoc1C1CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICPHKZLBAURQRK-HFTRVMKXSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1cnoc1C1CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFWJZZBXZTTQH-XUWXXGDYSA-N", "SMILES:O=C(NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1cnoc1C1CC1)C(=O)O)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEHJVHJRRFJXQB-UGFHNGPFSA-N", "SMILES:CC(=O)NC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1cnoc1C1CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJFBWLRWGLOERD-ONERCXAPSA-N", "SMILES:O=C(NC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1cnoc1C1CC1)C(=O)O)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRFGLLXMTCHLDI-NRUUGDAUSA-N", "SMILES:NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1c[nH]nn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFEICHCOMPPWEZ-XUJVJEKNSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1c[nH]nn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTAJPIBGXUCIDK-ZETOZRRWSA-N", "SMILES:O=C(NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1c[nH]nn1)C(=O)O)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPIFVMNRKJQQJJ-WQGACYEGSA-N", "SMILES:O=C(NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1c[nH]nn1)C(=O)Nc1c[nH]nn1)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXZCTFJLEZQTRJ-AYBZRNKSSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1cnoc1C1CC1)C(=O)Nc1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNHSKDSYXAGJAH-FWWHASMVSA-N", "SMILES:NC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1c[nH]nn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTYJAKOGPXEWEC-ZHAHWJHGSA-N", "SMILES:CC(=O)NC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1c[nH]nn1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOMVPSUFXNQKT-MKCWBWRRSA-N", "SMILES:O=C(NC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1c[nH]nn1)C(=O)O)c1c[nH]nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWAKHLXLAQNQOD-NJMSRXFUSA-N", "SMILES:O=C(NCCCCNC(=O)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1cnoc1C1CC1)C(=O)O)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1cnoc1C1CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVHIYAWJQORGDS-CFZRRRDLSA-N", "SMILES:O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)CN1C(=O)c1cnoc1C1CC1)C(=O)O)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)CN1C(=O)c1cnoc1C1CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASLLDWPKRMCPCR-RYAKDFGISA-N", "SMILES:CC1(C)C(/C=C/C2=C(c3cccc(CCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]4C[C@@H](NC(=O)c5c[nH]nn5)CN4C(=O)c4cnoc4C4CC4)C(=O)O)c3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQEIWUHZUPFUQU-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)s2)cc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIUJWYVLYQUOY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTEIWXIKUFQIFO-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVSDGVTVXNLNHV-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cl)c(CSc2nnc(-c3cnccn3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVPBXKCRKCOODF-UHFFFAOYSA-N", "SMILES:Brc1cccc(Br)c1CSc1nnc(-c2cnccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVPGFFNZSJULV-UHFFFAOYSA-N", "SMILES:Fc1cccc(Cl)c1CSc1nnc(-c2cnccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVQKWHKHCQNQC-UHFFFAOYSA-N", "SMILES:Clc1cccc(Br)c1CSc1nnc(-c2cnccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHGXVWTSBIFFG-UHFFFAOYSA-N", "SMILES:Brc1ccc(Br)c(CSc2nnc(-c3cnccn3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXKWADMZJOSEAI-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1CSc1nnc(-c2cnccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGMWFJFHZCDJPT-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(C(F)(F)F)c(CSc2nnc(-c3cnccn3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJMUQPPDCQBJW-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Cl)cc1CSc1nnc(-c2cnccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTZACZBVCRGXGB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Cl)c(CSc2nnc(-c3cnccn3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKRKOCAPDHKBTI-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Br)c(CSc2nnc(-c3cnccn3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWHXSRCTUAUFIM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Br)c1CSc1nnc(-c2cnccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFUNYUCUSGNBPX-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(Cl)c1CSc1nnc(-c2cnccn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHKXWQLRXVAFJK-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(=O)C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUEGKYWYMGQGDW-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(=O)CCOCC#Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEXLPVSXRRLESN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(=O)CCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDZOOICZGOIRJ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C(=O)CCCCCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMJGPIISXIDKBO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(CC(=O)NCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGZQSACWXJHHHH-OQLLNIDSSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSOELZCFUYJPO-MHWRWJLKSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEDVKOTYROKKFW-GZTJUZNOSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQVWIYWDTUHIGN-LDADJPATSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBBKVLGAJFMBO-CPNJWEJPSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXUCACHBNBASRM-OQLLNIDSSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(NC(=O)COCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYIQLQVRMBVQY-OQLLNIDSSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(NC(=O)COCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKBZJQXOJPOKD-OQLLNIDSSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(NC(=O)COCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRGTRGOGLGCOZ-OQLLNIDSSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(NC(=O)CCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XROMSKONOMKDCU-OQLLNIDSSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCc3cn(CCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXUUFSDTTNUTJZ-OQLLNIDSSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCc3cn(CCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOXJUDIBWVWEAA-OQLLNIDSSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCc3cn(CCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMURWIPNOVDIPX-OQLLNIDSSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCc3cn(CCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGEBMCSKWJCWCB-OQLLNIDSSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCc3cn(CCOCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHLJQVSDTYOIS-CPNJWEJPSA-N", "SMILES:O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)NCCCCCc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOZUDKPZDDZBP-ZEXVUJQVSA-N", "SMILES:Cc1ncsc1-c1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)COCCOCCOCCNC(=O)c2ccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOFNQWDLDNZPJ-UBUVGXBJSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)c2ccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRWRYBOCSUYIN-LMDACZCHSA-N", "SMILES:Cc1ncsc1-c1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccc(NC(=S)NCc5cccnc5)cc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOMFDXUTXJSNW-XNTDXEJSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTXHPVHUFSAHW-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccccc4F)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNJDDKSLIMNHDY-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4cccc(F)c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEYNZUGGJGIJM-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMOLSPOXRUYWCP-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccccc4Br)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMAPDNFKQGOPET-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4cccc(Br)c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXHJRTGPDHCSPI-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccc(Br)cc4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVDJJUWMYUUYAB-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccccc4Cl)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWZFADJEJVHIJ-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4cccc(Cl)c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYUUIRGWDJQOIN-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccc(Cl)cc4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBEJANIKIJBOMV-MHWRWJLKSA-N", "SMILES:Cc1ccccc1CSc1nnc(NC(=O)c2ccc(/C=C3/SC(=O)NC3=O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILWBEOMLWMWVKH-MHWRWJLKSA-N", "SMILES:Cc1cccc(CSc2nnc(NC(=O)c3ccc(/C=C4/SC(=O)NC4=O)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSAYNADDPHGYDG-MHWRWJLKSA-N", "SMILES:Cc1ccc(CSc2nnc(NC(=O)c3ccc(/C=C4/SC(=O)NC4=O)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXQZIMOJJHAVLY-MHWRWJLKSA-N", "SMILES:COc1cccc(CSc2nnc(NC(=O)c3ccc(/C=C4/SC(=O)NC4=O)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUIGYYKSXLMBAB-CXUHLZMHSA-N", "SMILES:N#Cc1ccccc1CSc1nnc(NC(=O)c2ccc(/C=C3/SC(=O)NC3=O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRORAIDHYQKGTK-CXUHLZMHSA-N", "SMILES:N#Cc1cccc(CSc2nnc(NC(=O)c3ccc(/C=C4/SC(=O)NC4=O)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGCGZKRPJRZMGL-CXUHLZMHSA-N", "SMILES:N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(/C=C4/SC(=O)NC4=O)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPANKBSIKLXKP-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccccc4[N+](=O)[O-])s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTJYLHNEYUKPGP-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4cccc([N+](=O)[O-])c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGSNAQGWBATBG-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccc([N+](=O)[O-])cc4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUMVJSDJASLYOH-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccccc4C(F)(F)F)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNGKIANWJUQKIC-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4cccc(C(F)(F)F)c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUGIKELYYIVWMC-DHDCSXOGSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3nnc(SCc4ccc(C(F)(F)F)cc4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYAHGIXGFUBLH-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccccc4OC(F)(F)F)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQTQKTZROLZMAO-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4cccc(OC(F)(F)F)c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSZJOLWLWHJKS-OQLLNIDSSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccc(OC(F)(F)F)cc4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKSWOJDOIHWHDZ-MHWRWJLKSA-N", "SMILES:COC(=O)c1ccccc1CSc1nnc(NC(=O)c2ccc(/C=C3/SC(=O)NC3=O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSJOICTZJHGRO-MHWRWJLKSA-N", "SMILES:COC(=O)c1cccc(CSc2nnc(NC(=O)c3ccc(/C=C4/SC(=O)NC4=O)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSVGXABEUDHREY-MHWRWJLKSA-N", "SMILES:COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccc(/C=C4/SC(=O)NC4=O)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCUUHGUSJXCRB-KGENOOAVSA-N", "SMILES:O=C1NC(=O)/C(=C\\c2ccc(C(=O)Nc3nnc(SCc4ccccc4-c4ccccc4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTRVVHPNWHJEO-STZFKDTASA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3nnc(SCc4ccc(-c5ccccc5)cc4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWQAJAJRFQOPK-CHHVJCJISA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3nnc(SCc4ccc(F)cc4Cl)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOMXIRXNYPFDLA-CHHVJCJISA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3nnc(SCc4ccc(F)cc4F)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HODMQWXDYVLKHK-PDGQHHTCSA-N", "SMILES:CC(C)(C)c1ccc(CSc2nnc(NC(=O)c3ccc(/C=C4\\SC(=O)NC4=O)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFQHZFWHTKBJCQ-YBEGLDIGSA-N", "SMILES:CS(=O)(=O)c1ccc(CSc2nnc(NC(=O)c3ccc(/C=C4\\SC(=O)NC4=O)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYNOMSENMBZHZ-NVNXTCNLSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3nnc(SCc4ccc(F)c(F)c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVIPJPRUJIANT-NVNXTCNLSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3nnc(SCc4ccc(F)c(Cl)c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEWWXUDVBCVAQT-QPEQYQDCSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3nnc(SCc4ccc(F)c(F)c4F)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHVYQJNHWVTAIX-WQRHYEAKSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3nnc(SCc4ccc5ncccc5c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDWTXFZHQGGMB-CHHVJCJISA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3nnc(SCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOSUNNQFOOXRO-UNOMPAQXSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(C(=O)Nc3nnc(SCc4ccc5ccccc5c4)s3)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQFKAGMYRBAUQQ-UHFFFAOYSA-N", "SMILES:CN1CC(C)(C(O)(c2ccc(OC(F)(F)F)cc2)c2ccccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTLOGPSOIVVRI-UHFFFAOYSA-N", "SMILES:CN1CC(C)(C(O)(c2ccc(OC(F)(F)F)cc2)c2ccccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOMYMQQAYLFEE-UHFFFAOYSA-N", "SMILES:CN1CC(C)(C(O)(c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIJJFTVRHYAIKF-UHFFFAOYSA-N", "SMILES:CN1CC(C)(C(O)(c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMUJKTRTLSRKRV-UHFFFAOYSA-N", "SMILES:COc1cccc(C(O)(c2ccc(OC(F)(F)F)cc2)C2(C)CN(C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDEVMJHILLSXKL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(O)(c2ccc(OC(F)(F)F)cc2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQCEEFTAMJLEU-UHFFFAOYSA-N", "SMILES:CC(C)COc1cccc(C(O)(c2ccc(OC(F)(F)F)cc2)C2(C)CN(C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXIVILQWQXOYSC-UHFFFAOYSA-N", "SMILES:CN1CC(C)(C(O)(c2ccc(OC(F)(F)F)cc2)c2cccc(N3CCCC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXLYDXQRLPSIKM-UHFFFAOYSA-N", "SMILES:COc1cncc(C(O)(c2ccc(OC(F)(F)F)cc2)C2(C)CN(C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMGUKECSWQHZSZ-UHFFFAOYSA-N", "SMILES:CCOc1cncc(C(O)(c2ccc(OC(F)(F)F)cc2)C2(C)CN(C)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMNZIYKJAHEPF-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C(O)(c2cccc(N3CCCC3)n2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRVLMHZTSODMHT-UHFFFAOYSA-N", "SMILES:CN1CC(C)(C(O)(c2ccc(OC(F)(F)F)cc2)c2ccnc(N3CCCC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNZBSFZSEVABTF-UHFFFAOYSA-N", "SMILES:CN1CC(C)(C(O)(c2ccc(OC(F)(F)F)cc2)c2cncc(N3CCCC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXKYWYXABYTWMI-UHFFFAOYSA-N", "SMILES:CN1CC(C)(C(O)(c2ccc(OC(F)(F)F)cc2)c2cnnc(N3CCCC3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXQCOSKWQAQJJN-UHFFFAOYSA-N", "SMILES:CN1CC(F)(C(O)(c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBDJYGROQPRKZ-UHFFFAOYSA-N", "SMILES:CN1CC(CO)(C(O)(c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGFXFWWOKCCMTC-UHFFFAOYSA-N", "SMILES:CN1CC(C#N)(C(O)(c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVSWMIEDCGUOP-UHFFFAOYSA-N", "SMILES:CN1CC(O)(C(O)(c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUIUQTGPMGXLBY-UHFFFAOYSA-N", "SMILES:CN1CC(C(N)=O)(C(O)(c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGLPHNKVFJKIK-DEOSSOPVSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3CCCC3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIIVBZFMTXHRP-VWNXMTODSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3CC[C@@H](O)C3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIIVBZFMTXHRP-UPVQGACJSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3CC[C@H](O)C3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAIHXVBFHGYPGD-DQEYMECFSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3CC[C@](C)(O)C3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMGRMAXFZHSYIR-CUNXSJBXSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3CC[C@H](C(C)(C)O)C3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYBWXUOSLGZOEG-DEOSSOPVSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3CCOCC3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHOQXRFNCNSBMO-RVMZIBIISA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3CC4CC(C3)O4)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEMOMIMTPRYRQ-ZDXQCDESSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3C[C@@H](F)[C@@H](F)C3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJYDAOQGHSVDG-DEOSSOPVSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3CCCC3=O)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWBZLQCOPIHNMK-QHCPKHFHSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3CCOC3=O)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFRVHDRPTZLYKP-YQAGWJQESA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cncc(N3CC(C(C)C)CC3=O)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMWZAWWRNSOWCB-JKDDQTOVSA-N", "SMILES:Cc1nn(C)cc1C1CC(=O)N(c2cncc([C@@](O)(c3ccc(C(C)C)cc3)C3(C)CN(C)C3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGTPPKNPDUNRQK-QHCPKHFHSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cnnc(N3CCCC3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJSHVIYRHARFHW-VWLOTQADSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cnnc(N3CC4(CC4)CC3=O)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJFZYIJFCFWFF-VWLOTQADSA-N", "SMILES:COCc1noc(-c2cccc([C@@](O)(c3ccc(C(C)C)cc3)C3(C)CN(C)C3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQKBOAKZIPXIKZ-LJAQVGFWSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cccc(-c3nc(COC4CCOCC4)no3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYZJUKKKQQGWFK-NDEPHWFRSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cccc(-c3nc(C4CCOCC4)no3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSTONGWTVUQNEZ-NDEPHWFRSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cccc(-c3noc(C4CCOCC4)n3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUPNIAINVIMMB-SANMLTNESA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cccc(-c3noc(C(C)(C)O)n3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCFSRVSSTHWFNE-BBMPLOMVSA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cccc(-c3noc(C(C)(O)C(F)(F)F)n3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUCAAFZTONTLGK-MHZLTWQESA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cccc(-c3noc(C4(O)CCC4)n3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKTDMDXVSVKIRH-NDEPHWFRSA-N", "SMILES:COCC(C)(C)c1nc(-c2cccc([C@@](O)(c3ccc(C(C)C)cc3)C3(C)CN(C)C3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQRXBEVFEGHZFA-MHZLTWQESA-N", "SMILES:CC(C)c1ccc([C@](O)(c2cccc(-c3noc(CC(C)(C)O)n3)c2)C2(C)CN(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJCQYKWLGJBLJS-UHFFFAOYSA-N", "SMILES:CN1CC(C(O)(c2ccccc2)c2ccc(OC(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHCCENVMWQKDAG-UHFFFAOYSA-N", "SMILES:CN1CC(C)(C(O)(c2ccccc2)c2ccc(OC(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZLLNSKZIRXTR-UHFFFAOYSA-N", "SMILES:CCC1(C(O)(c2ccccc2)c2ccc(OC(F)(F)F)cc2)CN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXEBVXDREGFRDR-UHFFFAOYSA-N", "SMILES:CN1CCC(C)(C(O)(c2ccccc2)c2ccc(OC(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOMYMQQAYLFEE-SFHVURJKSA-N", "SMILES:CN1CC(C)([C@](O)(c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFOMYMQQAYLFEE-GOSISDBHSA-N", "SMILES:CN1CC(C)([C@@](O)(c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)C1"]}
{"name": "C-C chemokine receptor type 6", "xref": ["CHEMBL.TARGET:CHEMBL6067591"], "id": "UniProtKB:O54689", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNVGQUCPIOCOLA-CIFBLZBGSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)[C@@H]1CC2c3ccccc3NC2CN1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAQKNQGJRDRXAH-SFTDATJTSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEDRWCZKWJJCHF-IBGZPJMESA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1ccc2nccnc2c1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNPZEKDRDIEOQ-NRFANRHFSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPHQNXLYXBJPB-IBGZPJMESA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1ccc2c(c1)NCCN2)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMIRIWMQABSUPL-FQEVSTJZSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSPXSVYPPWPER-FQEVSTJZSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTJFRJEBDWGCV-FQEVSTJZSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1c[nH]c2ccc(F)cc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRZSMYDCTDEWSN-SFHVURJKSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSOANCWMQYCQPM-SFHVURJKSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1ccc2nc[nH]c2c1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAMZIERTQHLZOB-QFIPXVFZSA-N", "SMILES:Cc1nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUPAWYIYXGPCY-QHCPKHFHSA-N", "SMILES:CC(C)c1nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQQYYEAXCGSTEG-QHCPKHFHSA-N", "SMILES:CC(C)(C)c1nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVSLOZIPBGMGD-DEOSSOPVSA-N", "SMILES:CC(C)Cc1nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQKRNRRSRXYAW-VWLOTQADSA-N", "SMILES:CCC(CC)c1nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBABZCBYODXOKT-SANMLTNESA-N", "SMILES:CCCCCc1nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKTVRHJBCGHFJ-PMERELPUSA-N", "SMILES:CCCCCCCCCc1nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGQFSIYZSBGIT-QHCPKHFHSA-N", "SMILES:COC(Cc1nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHPAZOVJJOZCLD-QHCPKHFHSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(C2CC2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRXJMFYWQKEMHA-SANMLTNESA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(C2CCCCC2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJHFHEHDIDEJBH-SANMLTNESA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWLQVFRMYVBVQR-VWLOTQADSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccncc2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXPYPXNLXOZOHG-QFIPXVFZSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ncc[nH]2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDGDTEUUOXKROF-QHCPKHFHSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccs2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKMDSKISUOFSSN-SANMLTNESA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJJOLOVMCPJEK-SANMLTNESA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XROHWYCHEUBBDR-MHZLTWQESA-N", "SMILES:N#Cc1ccc(-c2nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc3ccccc3)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTBHKUABHMCMR-SANMLTNESA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(O)cc2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXABGCFSEVZQBM-MHZLTWQESA-N", "SMILES:COc1ccc(-c2nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc3ccccc3)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEHNGMWCWNFYGA-VWLOTQADSA-N", "SMILES:COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKMFSCAHDNGSX-SANMLTNESA-N", "SMILES:COc1ccc(-c2nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc3ccccc3)cc3c2[nH]c2ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLNTJBSYGPAQJ-SANMLTNESA-N", "SMILES:COc1cc(OC)c(-c2nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc3ccccc3)cc3c2[nH]c2ccccc23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJULYGXYEMITLA-SANMLTNESA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUGVCMKFKXKJX-MHZLTWQESA-N", "SMILES:Cc1ccc(-c2nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc3ccccc3)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLARCLPTIUJGB-LJAQVGFWSA-N", "SMILES:CC(C)c1ccc(-c2nc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc3ccccc3)cc3c2[nH]c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWPKJMZNKNGEPT-PMERELPUSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPOUBCIXTQYKFZ-NDEPHWFRSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2nccc3ccccc23)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFLWUJOYDUBAI-LJAQVGFWSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3ccccc3n2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWXJNOXHHROAGK-NDEPHWFRSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc3ccccc3cn2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGGURSRNOHLZLN-SANMLTNESA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2nc3ccccc3[nH]2)n1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBAMTPWAOJULCC-UHFFFAOYSA-N", "SMILES:N=C(CCl)NCCCC1NC(=O)N(Cc2cccc(-c3ccccc3Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUVMLWENGMHNR-AWEZNQCLSA-N", "SMILES:O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQTUANCNUSMBX-AREMUKBSSA-N", "SMILES:Cc1ccc2c(c1)NC(=O)[C@@]2(c1cn[nH]c1)c1cc(-c2ccc(C(=O)O)cc2C(=O)O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFFMAJXRCZCDP-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cc(C(=O)O)cn3cc(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CCC4C(=O)NCCN4CCOCC4)nc23)ccc1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFFMAJXRCZCDP-XIFFEERXSA-N", "SMILES:CC(C)c1cc(-c2cc(C(=O)O)cn3cc(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CC[C@H]4C(=O)NCCN4CCOCC4)nc23)ccc1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFFMAJXRCZCDP-MGBGTMOVSA-N", "SMILES:CC(C)c1cc(-c2cc(C(=O)O)cn3cc(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CC[C@@H]4C(=O)NCCN4CCOCC4)nc23)ccc1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFVWNIQQNJWMQ-PMERELPUSA-N", "SMILES:O=Cc1ccc(-c2cc(C(=O)O)cn3cc(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CC[C@H]4C(=O)NCCN4CCOCC4)nc23)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKOLXNJYAAIFS-GHOFYDJASA-N", "SMILES:NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOLFOAEPMQEAK-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(C(c2cc(C)c(C)cc2O)c2ccccc2S(=O)(=O)O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWNCNQUDKDVCLR-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(C(c2cc(C)c(C)cc2O)c2c[nH]nc2C(=O)O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYNHFHBPARBJT-UHFFFAOYSA-N", "SMILES:Cc1cc(O)c(C(c2cc(C3CC(C(=O)O)C3)ccc2O)c2c[nH]nc2C(=O)O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXHYDBZFONBCD-UHFFFAOYSA-N", "SMILES:OC(c1ccc(OC(F)F)cc1)(c1cccc(Br)c1)c1cc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGVJBUWKZBRTR-QPUWJJAWSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(CN3CCN(CCOCC(=O)NCCCN(C(=O)c4ccc(C)cc4)[C@@H](c4nc5cc(Cl)ccc5c(=O)n4Cc4ccccc4)C(C)C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPHBFHMOMLVJW-WJUIDDSLSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(CN3CCN(C(=O)COCCOCCNC(=O)COc4c(Br)cc(/C=C5\\C(=O)Nc6ccc(I)cc65)cc4Br)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNYIIDJBUPEMJ-YEASRJMDSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(CN3CCN(CCCCCCCC(=O)NCCCN(C(=O)c4ccc(C)cc4)[C@@H](c4nc5cc(Cl)ccc5c(=O)n4Cc4ccccc4)C(C)C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTIFLTZERQBABW-YBWOAVOSSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(CN3CCN(CCCCCCCCCC(=O)NCCCN(C(=O)c4ccc(C)cc4)[C@@H](c4nc5cc(Cl)ccc5c(=O)n4Cc4ccccc4)C(C)C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXGDXQHJXQYNQ-AKAJXFOGSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(CN3CCN(CCOCCOCC(=O)NCCCN(C(=O)c4ccc(C)cc4)[C@@H](c4nc5cc(Cl)ccc5c(=O)n4Cc4ccccc4)C(C)C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWLMOOYJHGMEHN-LVWNWUELSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOKCGSJDTWNGGV-LVWNWUELSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLDOCDTLUPKDN-MDAYSTJASA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELXCJSWGYTILK-MDAYSTJASA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMEOHCCVXACCNA-MDAYSTJASA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWOSUWKVSYEKEE-MDAYSTJASA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIRJJEKZBUGVSR-MDAYSTJASA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVFASUCDHLDPI-XSDYURQESA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQULRABTTLFITH-XSDYURQESA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXNUUACWSQSAU-XSDYURQESA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWLQVDMKBRDQU-AALHRUSESA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKZKECMSVAJLQ-WEOKSXGQSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N(C)C)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKMTOWLWGIHLW-JAKOJGBYSA-N", "SMILES:CNCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULFLYUCBKZSFMV-FQQPYACDSA-N", "SMILES:CNCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLQCKGJDENITHK-FCNDXCBGSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIKYEZUQNXEEMO-ZBZKAUHLSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULJPFGIVLOYKW-AAPYZVCASA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBIWOBPWZCEPJ-AAPYZVCASA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHAGWFCSGCXVDX-XPJKXGISSA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAKYMOCOOLSNET-VAUYBVJASA-N", "SMILES:CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJEUDIZHIOQKSL-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEDXODWNHMDGM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCNCc1ccc(OCc2cccc(-c3ccccc3)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRWAGSNKUFDMAT-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCNCc1c(OC)cc(OCc2cccc(-c3ccccc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWSARESXAAVFSL-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCNCc1ccc(-c2cccc(-c3ccccc3)c2C)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRGUAWBWMQFXCR-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOOGJIRMQGHML-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNCc1c(OC)cc(OCc2cccc(-c3ccccc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFJGGZNITGUTBL-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCNCc1c(OC)cc(OCc2cccc(-c3ccccc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSVPMISCNDWRC-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCNCc1c(OC)cc(OCc2cccc(-c3ccccc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMROOFNFVYWIQS-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCNC(=O)CN(C)Cc1c(OC)cc(OCc2cccc(-c3ccccc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRHSKXWTMMRVIN-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCCCNC(=O)CN(C)Cc1c(OC)cc(OCc2cccc(-c3ccccc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHQOBIYQJMOQHY-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)N1CCN(Cc2c(OC)cc(OCc3cccc(-c4ccccc4)c3C)cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXSDMZGOWLVFAU-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCNC(=O)C1CCCCN1Cc1ccc(OCc2cccc(-c3ccccc3)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCYUJLTCPHQMY-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCNCc1ccc(-c2cccc(-c3ccccc3)c2C)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVLHCHPQYBPEER-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCNCc1ccc(-c2cccc(-c3ccccc3)c2C)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSIDGHXLTCSENF-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCCCNCc1ccc(-c2cccc(-c3ccccc3)c2C)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLYYIXRBJVPVFO-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCNC(=O)C1CCCCN1Cc1ccc(-c2cccc(-c3ccccc3)c2C)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQVOGJQFJOXFW-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCNC(=O)CCN(C)Cc1ccc(-c2cccc(-c3ccccc3)c2C)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMKJWDGNACVOF-UHFFFAOYSA-N", "SMILES:COc1cc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCCCOc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNVKVCJYTQIHSW-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCCCNCc1c(OC)cc(OCc2cccc(-c3ccccc3)c2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHKCRHOFDDRLU-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEMDNTTVPDBISI-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFAPMJUXUFRJMJ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSHKRVDUDJLMO-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXXSQWDDOFNVPO-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(C(=O)NN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNBOHSKEIPKUEC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(C(=O)NC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGCFLOHMESNBMY-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHJVTQGWOOLYBV-UHFFFAOYSA-N", "SMILES:CCCCCCCCNC(=O)c1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJICDNNVFZQEOU-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(C(=O)NCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXPQXPCTMBYOAQ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(C(=O)NCC(C)(C)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSDZZSFFECOART-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(C(=O)NCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYWJROIIIXDQML-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABIXPIGGPYBTDD-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)ccc1-c1ncn(C)c1-c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMBPINFRTFCTEF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(N)=O)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULLWFQAIKLJZRX-UHFFFAOYSA-N", "SMILES:Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGFMQLKKFOVDX-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccccc2)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRMUTHUMMVEAMF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZLIUXKMCHXQNU-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCOCC2)cc(C)c1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEWYIWGYIVHOBN-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCCCC2)cc(C)c1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQERJHKXGVIGAD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(N)=O)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIQDMKDUFQAHX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CO)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCEHCNGIJHAHTP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(N)=O)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZHONALNGXILP-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CCCCC2)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXBREQYPXPKCLM-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWHBKUMYLPCMF-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCCCC2)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APUAYMXUHLOPLQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2cccnc2)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRSPYYYZACJWSE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccccc2)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAXXUAPKMOVWIN-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCN(Cc2cc(C)c(-c3ncn(C)c3-c3ccc4c(c3)OCC(=O)N4)c(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZCOKVXQVYETH-UHFFFAOYSA-N", "SMILES:Cc1cc(CNc2ccccc2)cc(C)c1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUALDSZSVUZWJN-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2cccc(C(N)=O)c2)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOZZTLCSMEGMB-GOSISDBHSA-N", "SMILES:Cc1cc(CNC[C@@H]2CCNC(=O)C2)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWXNQUPNJTKDZ-UHFFFAOYSA-N", "SMILES:Cc1cc(CNCc2ncnn2C)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICIKTJUZMIFHRD-QGZVFWFLSA-N", "SMILES:Cc1cc(CNC[C@@H]2CNC(=O)C2)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQMSCPPMHZUPJ-UHFFFAOYSA-N", "SMILES:Cc1nnc(CNCc2ccc(-c3ncn(C)c3-c3ccc4c(c3)OCC(=O)N4)c(C)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHCNPLSAPCQDEB-LJQANCHMSA-N", "SMILES:Cc1cc(CNC[C@H]2CCCC(=O)N2)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZQHTJPFTVSYKN-GOSISDBHSA-N", "SMILES:Cc1cc(CNC[C@H]2CCC(=O)N2)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTVJINSMSOLPAV-UHFFFAOYSA-N", "SMILES:Cc1cc(CNCc2nncn2C)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOCGUCOBQCCGW-SFHVURJKSA-N", "SMILES:Cc1ccc(CNC[C@@H]2CCO2)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZOCGUCOBQCCGW-GOSISDBHSA-N", "SMILES:Cc1ccc(CNC[C@H]2CCO2)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTDHIMCHWIFQJG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCCCC2)cc1-c1cnn(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATEQBDBQCUHGAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCCCC2)cc1-c1onc(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXGRHRYSGOUIW-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCCCC2)cc1-c1nsc(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVYFXYBQCKHCH-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCCCC2)cc1-c1noc(C)c1-c1ccc2c(c1)OCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3745917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFICDQKLCIXIPG-UHFFFAOYSA-N", "SMILES:CC[N+]1(CC)CCN(c2ccc(C(N)=O)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWGXKAZQBLBZFU-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc(N2CC[N+](CC)(CC)CC2)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLGZKFJJRFONEX-UHFFFAOYSA-N", "SMILES:CC[N+]1(CC)CCN(c2ccc(C(=O)Nc3ccccn3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLLUXHWCVWJJT-UHFFFAOYSA-N", "SMILES:CC[N+]1(CC)CCN(c2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKIRTIGTHHZSX-UHFFFAOYSA-N", "SMILES:CC[N+]1(C)CCN(c2ccc(C(=O)Nc3cccc(C)n3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXDRYIBNGAHNKS-UHFFFAOYSA-N", "SMILES:CC[N+]1(CC)CCN(c2ccc(NC(=O)c3cccc(C)n3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWSPECLLDTLKT-UHFFFAOYSA-N", "SMILES:CC[N+]1(C)CCN(c2ccc(NC(=O)c3cccc(C)n3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBYTJJONHCAJC-UHFFFAOYSA-N", "SMILES:CC[N+]1(C)CCN(c2ccc(NC(C)=O)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTEHGBJECQLMNQ-UHFFFAOYSA-M", "SMILES:CC[N+]1(CC)CCN(c2ccc(-c3ncco3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNVXDAPPMOCWTD-UHFFFAOYSA-M", "SMILES:CC[N+]1(CC)CCN(c2ccc(-n3cccn3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGBUWBODAIMRCS-UHFFFAOYSA-M", "SMILES:CC[N+]1(CC)CCN(c2ccc(C(=O)N3CCCC3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODALIESSOHQJKR-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(N3CC[N+](C)(C)CC3)cc2)n1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIXVEUYUEUGECS-UHFFFAOYSA-M", "SMILES:CC[N+]1(CC)CCN(c2ccc(-n3cccc3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDOHGIJGPRTHY-UHFFFAOYSA-N", "SMILES:CC[N+]1(CC)CCN(c2ccc(C(=O)Nc3cccc(C)n3)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODZVLVSXQWNPO-UHFFFAOYSA-M", "SMILES:CC[N+]1(CC)CCN(c2ccc(C#N)cc2)CC1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIXBFJMCXWGURC-XAYXJRQQSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(CNC(=O)C4CCN(C(=O)C5CCCCN5Cc5cc(Cl)c(OCc6cccc(-c7ccccc7)c6C)cc5OCc5cccc(C#N)c5)CC4)cc3)c(OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPXLWYLBQYMTKI-SDNWHVSQSA-N", "SMILES:COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1COC(=O)/C=C/c1ccn2ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZMRMXKVCJZICT-CIVUBGFFSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(Cc2ccc(-c3cccc(F)c3O)cc2)(C(=O)O)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4443977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCMZOPRZSOYRO-XWJPGZQWSA-N", "SMILES:Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N\\OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFRQIKTNNVFAU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2nccc2-c2cc(F)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WICPQPFMJZZNCE-UHFFFAOYSA-N", "SMILES:Nc1nc(NCC2CCN(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJJDPPPWBCNRJ-UHFFFAOYSA-N", "SMILES:Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CNC(C)(C)C(=O)NCCNC(=O)c3ccc(-c4c[nH]c(=O)[nH]c4=O)nn3)cc2Cl)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVRADZDOZYJAY-UHFFFAOYSA-N", "SMILES:Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CNC(C)(C)C(=O)N3CCN(c4ccc(-c5c[nH]c(=O)[nH]c5=O)nn4)CC3)cc2Cl)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSLZOQDWLLQVJT-UHFFFAOYSA-N", "SMILES:Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3CCCCC3C(=O)N3CCN(c4ccc(-c5c[nH]c(=O)[nH]c5=O)nn4)CC3)cc2Cl)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEBVOTTXRABPE-UHFFFAOYSA-N", "SMILES:COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGDYXUEGGELJY-UHFFFAOYSA-N", "SMILES:COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCNC(=O)c1ccc(-c2c[nH]c(=O)[nH]c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKAGGMLCSFCPCK-OJGHKQALSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](OCc4ccccc4)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWPBGLUUJMTNNO-OJGHKQALSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](OCc4ccc(Cl)cc4)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFCMTHMZOSWPJC-LAUQYSLNSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1ccccc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLWNNIIRYBEQCI-LAUQYSLNSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1ccc(Cl)cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRUCUSWLGHVBEY-WEURZCKHSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1ccncc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFDVDMVGQSEMK-ZYRCWTSVSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1cocn1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWHKLSRFZKOXHW-ZYRCWTSVSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1cnco1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVDXXLRESFSRM-ZYRCWTSVSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1cncs1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYYLTFGFQMATFE-MKVSTSQFSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1nccs1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLDIBPDJHYTHK-WZSLBKDDSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1nc(-c3ccccc3)cs1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFWAITKLWZRIGK-DMXDCXNVSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRTSCGLRIUWCDM-MKVSTSQFSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCCC(=O)O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFNRSUWBYIVAP-NRKFCHRDSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)NC(C)C)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKDUEJPTPFBSQ-SXWXHZGTSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)NCC(C)C)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNYXYHPCOOWBNU-NRKFCHRDSA-N", "SMILES:C=CCNC(=O)CCO[C@@]12OC[C@]3(C=CCC(C)(C)[C@H]3[C@@H]1O)[C@@H]1CC[C@H]3C(=C)C(=O)[C@]12[C@@H]3O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBHQSWBYMGDDGF-ZDVSKYCDSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)N(C)C)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOHWVWJRCKLPBV-TWFHBBFESA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)NC1CCCC1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWZQTAVNABJWJO-TWFHBBFESA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)N1CCCCC1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXIMMUWOLGLGM-SXWXHZGTSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)N1CCOCC1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRIDMWSBUQNOK-TWFHBBFESA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)N1CCN(C)CC1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFQNYMABKIHTOD-MHRDNBEJSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJABICFOTZVHDF-JQERHIMASA-N", "SMILES:C=C1C(=O)[C@]23[C@H](OCc4ccc(C#N)cc4)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXWVFJJFHCZBW-AYICPWKWSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](OCc4ccc5ccccc5c4)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXSCNVVYOPQOL-OTYPWVJQSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCC)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSFGPLDCFXUNC-RUQNHYHASA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1ccc(C#N)cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPCIEPKKYLMAMZ-VUIMGYPFSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1ccc3ccccc3c1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECKNBUQCRXEII-NXDMUFJZSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCCc1ccccc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXLRZCJXXBDMG-NXDMUFJZSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCCc1ccc(Cl)cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOSMTGSWDAKFDX-VUIMGYPFSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCCCCc1ccccc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDSYCZRXMTFAO-WEURZCKHSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1cccnc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JABRZZJIYCKXDK-MKVSTSQFSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)NC)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHCLGLXZFWVIB-NRKFCHRDSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)NCCC)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDKAHHDOHCTNGS-NRKFCHRDSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)NCCOC)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPCSONFIQQQAG-RLGMCJNNSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)N(CCC)CCC)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTECWLHNNWGNIW-RLGMCJNNSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)NC1CCCCC1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEFPLIKWQUVEDU-SXWXHZGTSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)N1CCCC1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPQSYXZYQUNADO-JPXJYDAFSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCC(=O)O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APJDCMOPMAAADM-NRKFCHRDSA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)NC1CC1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELBXRMZBBFZSN-TWFHBBFESA-N", "SMILES:C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)NC1CCOCC1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650350", "category": ["biolink:ChemicalEntity"], "name": "INZOMELID", "xref": ["InChIKey:MTOUOUSKXWSTAX-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1"], "synonym": ["Emlenoflast", "Inzomelid", "Izd-174", "Izd174", "MCC-7840", "MCC7840"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAJYKGIAZXWHAX-DUXPYHPUSA-N", "SMILES:CS(=O)(=O)/C=C/C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKZKYNYJWKNWKI-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCGSJNRLRNZLBR-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIIODXRCAHKJBY-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRQKKHCXOOVMA-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJANIOXYVBRDKG-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2cc(Cl)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBNLGXBQLFYCM-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCKGBOOXHPKVEJ-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2ncc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXZIVOSZQVIFND-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2nc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDZPDBHYHQYOC-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc2[nH]cnc12)c1cn(-c2cccnc2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHKAKHWMFVVTJK-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc2[nH]cnc12)c1cn(-c2cccnc2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOMXLNJJAVAVOJ-NSHDSACASA-N", "SMILES:C[C@H](Nc1ncnc(N)c1C#N)c1cn(-c2cccnc2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZARAALKGRVLJW-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2ccncc2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKPQZXMERJVIO-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2ccccn2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEBQIHYCIRDMOS-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccc(S(C)(=O)=O)c2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZFCIROHMZHMED-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccc(O)c2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSWIWGBLYKNRPL-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2ccc(O)cc2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWWVXKNRAUMNY-JTQLQIEISA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccc(F)c2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDVDQOOMBVIMIW-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cc(F)cc(F)c2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQDIWHLAMMFWPK-LBPRGKRZSA-N", "SMILES:Cc1cccc(-n2cc([C@H](C)Nc3nc(N)nc(N)c3C#N)c3c(Cl)ccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWUZRPXQMNVQT-QMMMGPOBSA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cn[nH]c2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEBJQECDYDXMNH-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cnn(C)c2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRKDJJOOZWFNDS-QMMMGPOBSA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cc[nH]n2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTDPPWYVVXYUQJ-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2ccsc2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJCLBBDXFZYMF-VIFPVBQESA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccs2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MELOAGVUSXPWOJ-NSHDSACASA-N", "SMILES:C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(Cc2ccccn2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFPYOABJQJGKMW-HNNXBMFYSA-N", "SMILES:CC[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2nccc(Cl)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLUQKXLLIETMM-KRWDZBQOSA-N", "SMILES:N#Cc1c(N)nc(N)nc1N[C@H](c1cn(-c2cccnc2)c2nccc(Cl)c12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJANIOXYVBRDKG-UHFFFAOYSA-N", "SMILES:CC(Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2cc(Cl)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJANIOXYVBRDKG-SNVBAGLBSA-N", "SMILES:C[C@@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2cc(Cl)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMZVDKDLGHTKND-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(COc3cccc(-c4n[nH]cc4-c4ccncc4)c3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXHYNRVQMNWSGW-UHFFFAOYSA-N", "SMILES:Fc1ccccc1COc1cccc(-c2n[nH]cc2-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOISRSIVKJVXHU-UHFFFAOYSA-N", "SMILES:Fc1ccccc1COc1cccc(-c2n[nH]cc2-c2ccncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFGEBRNWJXDQR-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(-c3c[nH]nc3-c3cccc(OCc4ccc5c(c4)CN(C)C5=O)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJGHUTXYAAUNPN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3c[nH]nc3-c3cccc(OCc4ccc5c(c4)CN(C)C5=O)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQJXPHWMPXUYHN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(OC)c(Nc2nccc(-c3c[nH]nc3-c3cccc(OC)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRNQPLOTQBCINB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(Oc2cc3c(-c4c[nH]nc4-c4cccc(OC)c4)ncnc3cc2OC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUKCIICNVPFKMK-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCn1cc(-c2ncnc3cc(OC)c(OC)cc23)c(-c2cccc(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBFHHKASHGEKCJ-UHFFFAOYSA-N", "SMILES:C#CC(=O)NCCn1cc(-c2ncnc3cc(OC)c(OC)cc23)c(-c2cccc(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIYGLSAPQPUEC-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)NCCn1cc(-c2ncnc3cc(OC)c(OC)cc23)c(-c2cccc(OC)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLXWISPNCBRJLS-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ncnc4cc(OC)c(OC)cc34)c(-c3cccc(OC)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLXWISPNCBRJLS-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CC[C@@H](n2cc(-c3ncnc4cc(OC)c(OC)cc34)c(-c3cccc(OC)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRSILAUGDKDGPL-VWLOTQADSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(NC(=O)c4ccc5c(c4)CN(C)C5=O)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBXOSEFDIDSNPW-VWLOTQADSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(OCc4ccc5c(c4)CN(C)C5=O)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVLLKLFGGWAXTK-OKHPUOTASA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(/C=C/c4ncc(C5CC5)o4)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOCKHFVALTDJZ-QHCPKHFHSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cc(OCc4ccc5c(c4)CN(C)C5=O)ccc3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEKHRVFJNILNHQ-DEOSSOPVSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3ccc(F)c(OCc4ccc5c(c4)CN(C)C5=O)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMYAAKMHSSXAE-RLWLMLJZSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2cc(-c3ccncc3)c(-c3cccc(OCc4ccc5c(c4)CN(C)C5=O)c3)n2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFVCDWBELOLOON-VWLOTQADSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(COc4ccc5c(c4)CN(C)C5=O)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSWXZHWRJQQHJJ-RLWLMLJZSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2cc(-c3ccncc3)c(-c3cccc(COc4ccc5c(c4)CN(C)C5=O)c3)n2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGIEASBHWLOJE-YKSBVNFPSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2cc(-c3ccncc3)c(-c3cc(COc4ccc5c(c4)CN(C)C5=O)ccc3F)n2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKWIHMTWSHPULS-NLFFAJNJSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2cc(-c3ccncc3)c(-c3ccc(F)c(COc4ccc5c(c4)CN(C)C5=O)c3)n2)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXIMDTVPRQNND-QFIPXVFZSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(NC(=O)c4ncc(C5CC5)o4)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWQACVOXLHQFTR-QFIPXVFZSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(NC(=O)c4cccc(OC)c4F)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSFMPDOTBERPS-QHCPKHFHSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(NC(=O)c4cn(C5CC5)cn4)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZUTWBOECECLJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(n2cc(-c3ccncc3)c(-c3cccc(NC(=O)c4cn(C5CC5)cn4)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEELJIKVLDJGFM-NPJCXYKHSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(/C=C/c4cc5n(n4)CCOC5)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKDLHXFCJPKHJQ-OUZREKFBSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncn3)c(-c3cccc(/C=C/c4ncc(C5CC5)o4)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNXZMBZMINDUGS-RMKNXTFCSA-N", "SMILES:C=CC(=O)N1CC(n2cc(-c3ccncc3)c(-c3cccc(/C=C/c4ncc(C5CC5)o4)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTOSTMNUFDJIII-VWLOTQADSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cc(F)cc(OCc4ccc5c(c4)CN(C)C5=O)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMYAAKMHSSXAE-LVXARBLLSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2cc(-c3ccncc3)c(-c3cccc(OCc4ccc5c(c4)CN(C)C5=O)c3)n2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKXGTJDGDYIKQD-FFUNVAGCSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(/C=C/c4ccc5c(c4)CN(C)C5=O)c3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXPJECNXEFHJRI-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2nc(NCc3ccc(F)cc3)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJIKFSSGNBZNAI-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTSIEWHGNUJVTJ-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c(C)[nH]nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAHNSLHAROATGX-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c(Cc3cccc(Cl)c3)[nH]nc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCRQZXAGWHEAIV-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTDCAWHWSPRLD-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJMFCWBNWSFXRL-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2C1CCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNGVCCDFSOXCFD-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWRDTTISIJMWBU-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2CC1CCCC(C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQURJOXOHISNV-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2-c1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCGVASUGIMXBIJ-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2CC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZUDMXEFPVERH-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHTLTHBFWIOGEU-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNPBROEESTBBY-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccccc1NS(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPDPTTNKFIABQT-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccccc1C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWIKPBWHFAXMM-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWSDRDVQLGOLD-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVYLJBSLJNNBSX-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cccc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOPVQCPNFIFWKC-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cccc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMNFBTLKOSIOSF-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cccc(-c2nn[nH]n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZNZMOMVYHSJJ-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLYUORNSDIKQL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(Cn2cnc3c(NC)nc(Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDIHSYCEUSPHJG-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBDBUHLHHMNOIL-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCROUMGLMCLSPK-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCMLMKKWOUVRKR-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVDSFTIQQAVEOB-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccc(C(=O)OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLLRKPJCTLQGIS-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZQCNKPEFXLFB-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTMKZXKNIRBJR-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cc(Cl)ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USPOALCUECMEAH-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cc(Cl)cc(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYYCJOIQZIGVOH-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cc(Cl)cc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPPWZIPWWJVMLV-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1ccc(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQYKRRPOVUUPP-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2Cc1cc(Cl)c(OC)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRWOWCTYTJNZEE-UHFFFAOYSA-N", "SMILES:CNc1nc(F)nc2c1ncn2Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLMDEDCZJZNSO-UHFFFAOYSA-N", "SMILES:Clc1cccc(Cn2cnc3c(NC4CC4)nc(Cl)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCAHNNRXGSGGCL-UHFFFAOYSA-N", "SMILES:CCc1cc(C#N)cc(F)c1N(C)c1cc(NC(=O)C2CC2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VERYIUBILUMSSE-UHFFFAOYSA-N", "SMILES:CCc1cc(C#N)cc(F)c1N(C)c1cc(NC(=O)NC)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAXNQCVUSDXZQF-UHFFFAOYSA-N", "SMILES:CCc1cc(C#N)cc(F)c1N(C)c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDUMAVUYDEPLO-JOCQHMNTSA-N", "SMILES:Cn1cnc2c(Nc3cc(N)ncn3)cc(N(C)[C@H]3CC[C@H](C#N)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTUHVPKLXLSJGB-UHFFFAOYSA-N", "SMILES:CN(c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1)C1CCOC2(CCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOMVMISAWONYOX-UHFFFAOYSA-N", "SMILES:CN(c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1)C(C1CC1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXQRKLKOTWVRMI-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(Nc3cc(N)ncn3)cc(NC(C3CC3)C(F)(F)F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUQPRNWSUGYOIZ-UHFFFAOYSA-N", "SMILES:Cn1cnc2c(Nc3cc(N)ncn3)cc(OC(C3CC3)C(F)(F)F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGWHPICSCBXWON-UHFFFAOYSA-N", "SMILES:CCc1cc(C#N)ncc1N(C)c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQMNZLWTUTJFC-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ncc1N(C)c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNRPEWOKKBFKRS-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ncc1Nc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMDCIHWKVKPVSB-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ncc1Oc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNFARLKXXGKTK-UHFFFAOYSA-N", "SMILES:Cc1cc(S(C)(=O)=O)nc(F)c1Oc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXMCTHHLSRIHH-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N(C)C)cc2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDAREBZGZZDSKX-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N(C)C)cn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVJYMIYOBIVPHB-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLNRHDBVQIZKAL-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCN(C)CC3)cn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNVMXRMFAFMEPO-GHTZIAJQSA-N", "SMILES:Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFBECCKJTVZES-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCOCC3)cn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXELZXDURVDKHP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCOCC3)nn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBEZUWVXDAVTSC-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCN(C)CC3)nn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZPLFCWNAIVRT-CALCHBBNSA-N", "SMILES:Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3C[C@@H](C)N(C)[C@@H](C)C3)nn2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJKBBBXYMKONOK-UHFFFAOYSA-N", "SMILES:CCc1cc(C#N)cc(F)c1N(C)c1nc(NC(=O)C2CC2)c2ncn(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYWYHDLOCSDKEQ-UWJYYQICSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCc4n[nH]c5cc(F)ccc45)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIJXDUPULMKIE-ICSRJNTNSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(F)cc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBUCTDNZRCASG-JXFKEZNVSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(F)c(F)c4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBXULECBNXYQMQ-ICSRJNTNSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(Br)cc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLHGBNUUNXVMP-BDYUSTAISA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(OCc5ccccc5)cc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKQUKCYYNWSMFZ-FPOVZHCZSA-N", "SMILES:CN(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CC(=O)N3)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAVKGRZUCSPEL-ICSRJNTNSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccccc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGPFNYLBRVDMQF-RXVVDRJESA-N", "SMILES:Cn1nc(CCCN2CC[C@H]3[C@@H](C2)c2cccc4c2N3CC(=O)N4)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHIIWQWDBQHAU-PXNSSMCTSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCc4noc5cc(F)ccc45)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWJVJLLHAWESRM-LPHOPBHVSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(F)cc4F)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDDRIFSYSQPJGZ-LPHOPBHVSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(F)c(O)c4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYDNZBCPOEYRY-WMZOPIPTSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(F)cc4O)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALMTRXCDOAKGA-FPOVZHCZSA-N", "SMILES:CC1(C)C(=O)Nc2cccc3c2N1[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIJXDUPULMKIE-UYAOXDASSA-N", "SMILES:O=C1CN2c3c(cccc3[C@H]3CN(CCCOc4ccc(F)cc4)CC[C@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDBQKRMTFHMYQR-FPOVZHCZSA-N", "SMILES:Cc1ccc(OCCCN2CC[C@H]3[C@@H](C2)c2cccc4c2N3CC(=O)N4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPDRSKFVGNWPHY-ICSRJNTNSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(O)cc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWUUTVHEUYZPMY-LPHOPBHVSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccccc4F)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXYJILHNUGOOJJ-ICSRJNTNSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4cccc(F)c4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXGJFGZWFHGDNO-FPOVZHCZSA-N", "SMILES:Cc1cc(F)cc(C)c1OCCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CC(=O)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWAFXSYLZDIARW-FPOVZHCZSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCCc4ccc(F)cc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXJMTMADGFPGGW-ICSRJNTNSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCSc4ccc(F)cc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUVSYDSZPYXUIS-HKUYNNGSSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCOc4ccc(F)cc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKWGQALGOPCRHO-XHRKEWCOSA-N", "SMILES:CC1C(=O)Nc2cccc3c2N1[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKOEBRROSKAJX-HKUYNNGSSA-N", "SMILES:O=c1[nH]c2cccc3c2n1[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBHSKYUEJETIX-FPOVZHCZSA-N", "SMILES:O=C1CCN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(F)cc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIJXDUPULMKIE-AZUAARDMSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(F)cc4)CC[C@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YESIVTWYBVBRIX-FPOVZHCZSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4cccc5cccnc45)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDMMHZWPYOFNR-ICSRJNTNSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(Cl)cc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOURAHLJXNELCQ-FPOVZHCZSA-N", "SMILES:N#Cc1ccc(OCCCN2CC[C@H]3[C@@H](C2)c2cccc4c2N3CC(=O)N4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXUCABREREXQF-ICSRJNTNSA-N", "SMILES:O=C1CN2c3c(cccc3[C@@H]3CN(CCCNc4ccc(F)cc4)CC[C@@H]32)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMUUKUBELXOYKJ-HKUYNNGSSA-N", "SMILES:NC(=O)c1cc(F)ccc1OCCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CC(=O)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXIJJJBKYJBIP-KXZRCVDZSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(C(N)=O)c1ccc(-c2scnc2C)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXIJJJBKYJBIP-XODKDNOYSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](C(N)=O)c1ccc(-c2scnc2C)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJXIJJJBKYJBIP-RCLSDMTESA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C(N)=O)c1ccc(-c2scnc2C)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUIVJQKVNBVXQT-JLLPCOHGSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYLDNOCIFYPAS-ZJPYXAASSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRLKFCMDMYFIFL-ZJPYXAASSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(Br)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEAGDBGAMYYPK-ZJPYXAASSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMXYFRQTNERTE-OUJCMCIWSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2F)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWAXRBQZUDHSAH-JLLPCOHGSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccc(F)cc2)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTQMTTJXFRNZNS-OUJCMCIWSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2Cl)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBGCCGGSXGDHJO-BQXRJHOYSA-N", "SMILES:COc1ccccc1-c1ccc(C[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(C)=O)C(C)(C)C)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUKNUEUZZWTGKC-OUJCMCIWSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFZRAAQUURIAA-BXXSPATCSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2cccnc2)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAEMVXKGJRXZNJ-XBYSBRQOSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccc(F)cn2)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRASNKAESFOEJA-RGXPITOMSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKDDAOPKIZYJK-LWSSLDFYSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEKWIZGVCOHBD-PIOWIHJBSA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFJAHNGBNOUMR-ZKGSSEMHSA-N", "SMILES:CCC(C)(C)[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCXDUHZQOHCRCT-ZKGSSEMHSA-N", "SMILES:C=CC(C)(C)[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOXMBDRYPLVXCY-LWSSLDFYSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSNEIFJRHPMTM-NGSHPTGOSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBBMGJNWPIWJK-XPGKHFPBSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYXLUSMAMDIBN-XDZXDJIYSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYOBQZJUIUHVBW-XPGKHFPBSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHNTJSSCCCMQK-JLLPCOHGSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C1(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCSVQBICAYRDN-FYDQNBHISA-N", "SMILES:CC(=O)NC(C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C12CC(C(F)(F)F)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNNZQAYFNMTCX-PUDQNZGFSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRHCGMTZCQBTJ-NGSHPTGOSA-N", "SMILES:CC(=O)N[C@@H](CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCJCPDFGGEKAQ-XDZXDJIYSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFKGTJQRWHWCIV-OVHUPFAXSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C(C)(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXECZOOYHKFFQH-ZJSPYRCASA-N", "SMILES:CC(=O)NCCC[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZJGNXTXPXTUBI-LUKWVAJMSA-N", "SMILES:CSC[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5512571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLERILKSRYWQAE-QPXUXIHVSA-N", "SMILES:CSCC[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOHYVPNNCUBFIB-BXXSPATCSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C(C)(C)S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HULHSTHJYZUSHZ-JLLPCOHGSA-N", "SMILES:CSC(C)(C)[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNJRQHFCNYQBFG-LUKWVAJMSA-N", "SMILES:CC(=O)N1CC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIEUIHRDGVYUJK-NGSHPTGOSA-N", "SMILES:CC(=O)N1CCCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIPHAIUKNIRXTM-XPGKHFPBSA-N", "SMILES:CC(=O)N1CCCCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADCWPWCKSZZVFN-ZKGSSEMHSA-N", "SMILES:CC(=O)N1CCC(C)(C)[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRNJDYAKZAFMFA-MZYLBHOOSA-N", "SMILES:Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHUSKODDCGFOMQ-QJXQVQFTSA-N", "SMILES:Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPFCMAJCOTLEM-XPGKHFPBSA-N", "SMILES:Cc1cnn([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJTNDMJUEGKMQJ-NGSHPTGOSA-N", "SMILES:Cc1cn([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFUWPYHTPVUJZ-BXXSPATCSA-N", "SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)c1nnn(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCVKIMULLXMHCT-JVYGEBFASA-N", "SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQAAWNPQFGMHC-YUMYIRISSA-N", "SMILES:CC(C)(C)[C@H](N=[N+]=[N-])C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFONCPIWPDSZRH-JLLPCOHGSA-N", "SMILES:CC(C)(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)n1ccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZZRWGMNVNYLIB-ZKGSSEMHSA-N", "SMILES:Cc1cn([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C(C)(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPJOJCHWMWBSKQ-QAPZTRRTSA-N", "SMILES:CC(C)(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCDUVOUMONHJI-LTXXGDHTSA-N", "SMILES:CC(C)(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)n1cc(Cc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJHZRRIZVYWAA-FXSWLTOZSA-N", "SMILES:Cc1nnn([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C(C)(C)C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYWAKZMVVONRX-FXSWLTOZSA-N", "SMILES:COCc1cn([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C(C)(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOISBUPTLVIMN-CJTFWIGWSA-N", "SMILES:CC(C)(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)n1cc(C(=O)O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQCNPGWFYTEAH-CJTFWIGWSA-N", "SMILES:CC(C)(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)n1cc(C(N)=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIFYGNWBOUYLMM-YQIMAOPZSA-N", "SMILES:CNC(=O)c1cn([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C(C)(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCUWCPGQGZBXIJ-GHBLRSOESA-N", "SMILES:C[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONVKLPZAABEJOY-KAHCWPQKSA-N", "SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANFJUZPCPHVNG-QKBZBAIHSA-N", "SMILES:CCC(C)(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVMIEIIPMPQOR-BYVXLYMMSA-N", "SMILES:CC[C@H](C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIQDXSNETXYIIJ-QKBZBAIHSA-N", "SMILES:C=CC(C)(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCFMJMLSKBAGH-CZJMETBBSA-N", "SMILES:NC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C1CCC1)n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEYWCUSFNMXDN-PAIVUUIGSA-N", "SMILES:NC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(C2CC2)nn1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTXIDFFZCOJFLJ-JCTONOIOSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(C3CC3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPVWYAMEFQFVQS-HFONSACISA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(C3CC3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMQAEPAPMLWRT-WAJOZAFJSA-N", "SMILES:Cc1ncsc1-c1ccc(C[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(C3CC3)nn2)C23CC4CC(CC(C4)C2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAVGSVXQQSNQFO-PWKYGKGFSA-N", "SMILES:Cc1ncsc1-c1ccc2c(c1)CCCC[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(C2CC2)nn1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKFXONWLJMPBAK-XWSHUIEDSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2scnc2C)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MECAIZNWBHITPN-AKHDSKFASA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(C#N)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYAFOWGIGFRRC-MJTJJFPGSA-N", "SMILES:COc1ccc(-c2ccc(C[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(C)=O)C(C)(C)C)C(N)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNEDIVLXCODAAR-BQXRJHOYSA-N", "SMILES:COc1ccc(-c2ccc(C[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(C)=O)C(C)(C)C)C(N)=O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYXWFGAKLBFZNZ-WRHDZBKDSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2cccc(Cl)n2)cc1)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFXZFYHZEFEODL-VIJSPRBVSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAHQCQPIVFPDP-OTBBYOMFSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYCNXWYXJZUFJ-NGSHPTGOSA-N", "SMILES:CC(=O)N[C@@H](Cc1cscn1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOHHDZIJOCPQQQ-QPXUXIHVSA-N", "SMILES:CC(=O)N[C@@H](CCCN)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFXESBIWPGJAJ-ZKGSSEMHSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C(C)(C)CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOYGXOILUMCYIR-XPGKHFPBSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNWKFWHSWVFVML-VIJSPRBVSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C1CCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYBPJUVZLYIMKN-LWSSLDFYSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYGTGGTFLOUQT-VSKRKVRLSA-N", "SMILES:CC(C)(C)n1nnc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIEUJCLRRJCAJI-FXSWLTOZSA-N", "SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)c1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFDXZLSKJTEHY-XPGKHFPBSA-N", "SMILES:Cc1cn([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C(C)C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL300662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVHEFJXPXAUDD-BULFRSBZSA-N", "SMILES:C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTVXOUHJOOZWFP-KRWDZBQOSA-N", "SMILES:C[C@H]1CN(CCCc2ccccc2)CCN1c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1773188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORNGLHQKRZDIL-UHFFFAOYSA-N", "SMILES:Oc1cccc(N2CCN(CCCc3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSBSVKXTPXOBT-HDICACEKSA-N", "SMILES:C[C@@H]1CN(CCCc2ccccc2)C[C@H](C)N1c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3303774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRSUTWWKYIVBEU-HZCBDIJESA-N", "SMILES:CN(C)[C@]1(c2ccc(Br)cc2)CC[C@](O)(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVLZIQUNGHDQHD-BGYRXZFFSA-N", "SMILES:Oc1cccc(N2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXKBSSCTUNEBX-BGYRXZFFSA-N", "SMILES:Oc1cccc(N2[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXAPMHJPTXSTBJ-HDICACEKSA-N", "SMILES:C[C@@H]1CN(c2cccc(O)c2)C[C@H](C)N1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLOIDCOQGLYRLQ-KDURUIRLSA-N", "SMILES:Oc1cccc(N2[C@@H]3CC[C@H]2CN(CCc2ccccc2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNTCYKMIZDKUDF-HDICACEKSA-N", "SMILES:Oc1cccc(N2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUUDUJMWHCCXPS-TXEJJXNPSA-N", "SMILES:CN1C[C@H]2CC[C@@H](C1)N2c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVGIBFPGIOHOU-PHIMTYICSA-N", "SMILES:Oc1cccc(N2[C@@H]3CC[C@H]2CNC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMPMDYXBURCONH-OKILXGFUSA-N", "SMILES:C=CCN1C[C@H]2CC[C@@H](C1)N2c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCZYXOVADVKHE-GASCZTMLSA-N", "SMILES:Oc1cccc(N2[C@@H]3CC[C@H]2CN(CC2CC2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNBXGBXWXWXZDU-OYRHEFFESA-N", "SMILES:c1ccc(CCCN2C[C@H]3CC[C@@H](C2)N3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWWHXQCKHDZYFP-OYRHEFFESA-N", "SMILES:COc1cccc(N2[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCPBGXIPKBRPFB-BGYRXZFFSA-N", "SMILES:COc1ccccc1N1[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTSMNNRHHMBVHM-OYRHEFFESA-N", "SMILES:COc1ccc(N2[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADTJZKOHWAHSRJ-KDURUIRLSA-N", "SMILES:Oc1ccccc1N1[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INVOTBFNBSFBGD-OYRHEFFESA-N", "SMILES:Oc1cccc(CN2[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBIGRZFMPUSILZ-XLOOZMJBSA-N", "SMILES:CN(C(=O)CCc1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRWXYMDYBFXIBT-HBILRMSKSA-N", "SMILES:Cl.O=C(CCc1ccoc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBIGRZFMPUSILZ-CYZBAFPSSA-N", "SMILES:CN(C(=O)CCc1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRWXYMDYBFXIBT-DCDZALELSA-N", "SMILES:Cl.O=C(CCc1ccoc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUCKSFQTSWLDTP-LHZVGHAJSA-N", "SMILES:CN(C(=O)CCc1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUCKSFQTSWLDTP-JIMVDJGHSA-N", "SMILES:CN(C(=O)CCc1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRAIFDBVCRNCMI-XLOOZMJBSA-N", "SMILES:CN(C(=O)CCc1ccco1)[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPXBUYCRCAADV-HBILRMSKSA-N", "SMILES:Cl.O=C(CCc1ccco1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRAIFDBVCRNCMI-CYZBAFPSSA-N", "SMILES:CN(C(=O)CCc1ccco1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNPXBUYCRCAADV-DCDZALELSA-N", "SMILES:Cl.O=C(CCc1ccco1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMOCZYSSHJQAY-LHZVGHAJSA-N", "SMILES:CN(C(=O)CCc1ccco1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMOCZYSSHJQAY-JIMVDJGHSA-N", "SMILES:CN(C(=O)CCc1ccco1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYVXZDQIZNZGA-HNPKZZEHSA-N", "SMILES:CN(C(=O)/C=C/c1ccco1)[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKBGHFTDSIGLZ-GQBCILJVSA-N", "SMILES:Cl.O=C(/C=C/c1ccco1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYVXZDQIZNZGA-ZGJXQXJVSA-N", "SMILES:CN(C(=O)/C=C/c1ccco1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKBGHFTDSIGLZ-KNPGKMNISA-N", "SMILES:Cl.O=C(/C=C/c1ccco1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZUOLCQMZAVRT-OBURBEGOSA-N", "SMILES:CN(C(=O)/C=C/c1ccco1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFWKBMOMGVGSW-KJZQOGBRSA-N", "SMILES:Cl.O=C(/C=C/c1ccco1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZUOLCQMZAVRT-DRTPXWCYSA-N", "SMILES:CN(C(=O)/C=C/c1ccco1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFWKBMOMGVGSW-FLPAALAHSA-N", "SMILES:Cl.O=C(/C=C/c1ccco1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJSFYNINGIMKAG-CMRLFRNZSA-N", "SMILES:CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBHMFSLZWQEKX-KEBDBYFISA-N", "SMILES:O=C1c2cccc3c(N/N=C/c4ccc([N+](=O)[O-])o4)ccc(c23)C(=O)N1CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDUHFKYEVPUWDL-POHAHGRESA-N", "SMILES:O=C1Nc2cccc(O)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJQQTVCKUXLOCR-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3nc[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZGADFRZHFHCDY-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1ccc2nc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPEFDXMOQIGUGZ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3nc[nH]c3c2)c(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQCDZJBGJCMBNC-XFFZJAGNSA-N", "SMILES:COc1cccc2c1/C(=C/c1ccc3[nH]cnc3c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPNPBDEIXOYRC-POHAHGRESA-N", "SMILES:O=C1Nc2cccc(F)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGVVMALEZARVAN-POHAHGRESA-N", "SMILES:O=C1Nc2cccc(Cl)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCGOATRLORVDAD-POHAHGRESA-N", "SMILES:O=C1Nc2cccc(Br)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKYNJYLDFCMBI-XFFZJAGNSA-N", "SMILES:CN1C(=O)/C(=C\\c2ccc3[nH]cnc3c2)c2c(Br)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNWJBDYQXYYQW-POHAHGRESA-N", "SMILES:O=C1Nc2cccc([N+](=O)[O-])c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZWVIYCPULJCCU-WQLSENKSSA-N", "SMILES:CN(C)c1cccc2c1/C(=C/c1ccc3[nH]cnc3c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTYEVLASKHVGG-ZSOIEALJSA-N", "SMILES:O=C1Nc2cccc(OC3CCOC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URKFGKBSAOZHMG-GDNBJRDFSA-N", "SMILES:O=C1Nc2cccc(NC3CCOCC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJCOBYIPTVGQP-BOPFTXTBSA-N", "SMILES:CC(=O)N1CCC(Nc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTTFYFSIKHGJHO-BOPFTXTBSA-N", "SMILES:O=C1Nc2cccc(NCc3ccccc3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJSUFOOAAWYHHH-YBEGLDIGSA-N", "SMILES:O=C1Nc2cccc(NC(=O)C3CCC(O)CC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWHBPEHQSXGLLF-GDNBJRDFSA-N", "SMILES:O=C1Nc2cccc(NC(=O)C3CCOCC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZCINBZHXTHAB-SOEVKJKVSA-N", "SMILES:CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYYXDPUEOZNCE-HKBWDPEPSA-N", "SMILES:NC[C@H]1CC[C@H](C(=O)Nc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQNVIWGHYYOMSY-GDNBJRDFSA-N", "SMILES:O=C1Nc2cccc(NC(=O)c3ccncc3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIGFZYXNVPASM-BOPFTXTBSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCIDAPPKZURNK-YBEGLDIGSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZCRVDHSGEMGO-WJDWOHSUSA-N", "SMILES:O=C1Nc2cccc(NS(=O)(=O)c3ccccc3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMYXNCDBJUXQTP-YBEGLDIGSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFGLQQOUJENIM-AUWJEWJLSA-N", "SMILES:Cn1cc(C(=O)Nc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSAAJGGJAFDFHM-LCYFTJDESA-N", "SMILES:COC(=O)CCC(=O)Nc1cccc2c1/C(=C/c1ccc3[nH]cnc3c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPWXARKZJIDLV-WDZFZDKYSA-N", "SMILES:O=C(CC(F)(F)F)Nc1cccc2c1/C(=C/c1ccc3[nH]cnc3c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNUXNMGESHTNHZ-DHDCSXOGSA-N", "SMILES:O=C1Nc2cccc(OC3CCCOC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLNIWJTYHTVNRA-GDNBJRDFSA-N", "SMILES:O=C1Nc2cccc(OC3CCOCC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQUXSQPSPPSFDE-BOPFTXTBSA-N", "SMILES:COC1CCC(Oc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGCSGXCUQJUGDA-YBEGLDIGSA-N", "SMILES:O=C1Nc2cccc(OC3CCC(O)CC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCHRFKWNJXUTJS-BOPFTXTBSA-N", "SMILES:COC(=O)C1CCC(Oc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWYCLDNMSKZLN-GDNBJRDFSA-N", "SMILES:O=C1Nc2cccc(OC3CCNCC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWBBTILXHXLAKS-BOPFTXTBSA-N", "SMILES:CC(=O)N1CCC(Oc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYAMKFWZGNSMAP-BOPFTXTBSA-N", "SMILES:O=C1Nc2cccc(OCc3ccccc3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZQQTBEZVRDDZ-YVLHZVERSA-N", "SMILES:CC(=O)N1CCCC(Oc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPYYDBQSOJOEX-SXGWCWSVSA-N", "SMILES:CC(=O)N1CCC(Oc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRZRHINGOMTLBA-WJDWOHSUSA-N", "SMILES:CS(=O)(=O)N1CCC(Oc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHDANEKGGBHYPP-QNGOZBTKSA-N", "SMILES:O=C1Nc2cccc(OC3CCN(C(=O)c4ccccc4)CC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSCMGEFRZRHXIE-ZHZULCJRSA-N", "SMILES:O=C1Nc2cccc(OC3CCN(C(=O)c4ccncc4)CC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEHFVDHJXNSSFH-JCMHNJIXSA-N", "SMILES:COc1ccc(C(=O)N2CCC(Oc3cccc4c3/C(=C/c3ccc5[nH]cnc5c3)C(=O)N4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNRHHNMWRYYFEU-STZFKDTASA-N", "SMILES:COc1ccc(C(=O)N2CCC(Oc3cccc4c3/C(=C/c3ccc5[nH]cnc5c3)C(=O)N4)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNKDEHUPDHGMQZ-AQTBWJFISA-N", "SMILES:O=C1Nc2cccc(OC3CCN(C(=O)c4cccs4)CC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHIGKTNQYRIZBD-ODLFYWEKSA-N", "SMILES:Cn1cc(C(=O)N2CCC(Oc3cccc4c3/C(=C/c3ccc5[nH]cnc5c3)C(=O)N4)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKVUKOYFAIHUHI-ZHZULCJRSA-N", "SMILES:O=C1Nc2cccc(OC3CCN(C(=O)C4CCOCC4)CC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLOIDRXYQMEUMU-PDGQHHTCSA-N", "SMILES:O=C1Nc2cccc(OC3CCN(C(=O)C4CC4)CC3)c2/C1=C/c1ccc2[nH]cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRLVXCDEMJUVFM-AQTBWJFISA-N", "SMILES:COCCC(=O)N1CCC(Oc2cccc3c2/C(=C/c2ccc4[nH]cnc4c2)C(=O)N3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZYWKOZIFTEHZ-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccs2)c(CCC(=O)N2CCC(C(N)=O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZJOWXQTOAXNLK-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccc(N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUAVWDMQMARSRZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccn3cncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZCCUHBHNQCWJM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(-c3cnc(N)s3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTBOOAUESOIWJV-UHFFFAOYSA-N", "SMILES:CCn1cc2c(n1)c(=O)n(-c1ccccc1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXRUBJQTUZKND-UHFFFAOYSA-N", "SMILES:CCn1cc2c(n1)c(=O)n(-c1ccc(F)cc1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGUMZJVKHHJKZ-UHFFFAOYSA-N", "SMILES:CCn1cc2c(n1)c(=O)n(-c1cccc(F)c1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRLICJIJRZEAP-UHFFFAOYSA-N", "SMILES:CCn1cc2c(n1)c(=O)n(-c1cccc(C#N)c1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRSIKYXMCALAGB-UHFFFAOYSA-N", "SMILES:CCn1cc2c(n1)c(=O)n(-c1cccc(O)c1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTOSXLRRHMIOAU-UHFFFAOYSA-N", "SMILES:CCn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDLGMAZTQMMJB-UHFFFAOYSA-N", "SMILES:CCn1cc2c(n1)c(=O)n(-c1cnccn1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFHNSWNYLWPDLX-UHFFFAOYSA-N", "SMILES:CCn1cc2c(n1)c(=O)n(-c1cncnc1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLVJUVQGSOBOA-UHFFFAOYSA-N", "SMILES:CCn1cc2c(n1)c(=O)n(-c1ncccn1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGHVZCFUQTUMGW-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGUABLHWFYOOP-UHFFFAOYSA-N", "SMILES:O=c1c2nn(CC(F)F)cc2c2ccc(Cl)cc2n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPZZPSHTHNLDBW-UHFFFAOYSA-N", "SMILES:O=c1c2nn(CC(F)(F)F)cc2c2ccc(Cl)cc2n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQISECAUVKBUIL-UHFFFAOYSA-N", "SMILES:CC(C)n1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOUODMFHOMKAG-UHFFFAOYSA-N", "SMILES:O=c1c2nn(CC3CC3)cc2c2ccc(Cl)cc2n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPODMISVMJWNP-UHFFFAOYSA-N", "SMILES:N#CCn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTHDRMQWFSQATJ-UHFFFAOYSA-N", "SMILES:O=c1c2nn(CCO)cc2c2ccc(Cl)cc2n1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAJONZYFEKISDL-UHFFFAOYSA-N", "SMILES:CNC(=O)Cn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOQKGVFAUMLBPW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc3c(n2)c(=O)n(-c2cccnc2)c2cc(Cl)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRNDGQMSEDTJRV-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(OC(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQFAYBQNHUHNEW-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(C3CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPWYRIPBWRFNC-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1)c1nc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJCIHGJNOTCCV-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1)c1nc(C3CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAQRVEOLZPKJLE-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1)c1nc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLQDASQYZGDJL-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1)c1nc(OCC(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTWFQWLNPBDDHL-UHFFFAOYSA-N", "SMILES:CCNc1ccc2c3cn(C)nc3c(=O)n(-c3cccnc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWMXFJHGLBEAL-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-n1c(=O)c2nn(C)cc2c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJWITCGECFEBLD-UHFFFAOYSA-N", "SMILES:Cc1ncccc1-n1c(=O)c2nn(C)cc2c2ccc(C(F)(F)F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDHIBUCTZDZFKB-UHFFFAOYSA-N", "SMILES:Cc1cncc(-n2c(=O)c3nn(C)cc3c3ccc(C(F)(F)F)nc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVXHOXAMAPCXLH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(=O)c3nn(C)cc3c3ccc(C(F)(F)F)nc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBRRHUIQKHYRCE-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1C#N)c1nc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIXWCBMQQPCSBB-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1C1CC1)c1nc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJCFIMLOZAHNGK-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1C(F)(F)F)c1nc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJPOSFHRBZRBMV-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1C1CC1)c1cc(Cl)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROZZIMQITYEBCY-UHFFFAOYSA-N", "SMILES:O=c1c2nn(C(F)F)cc2c2cc(F)c(Cl)cc2n1-c1cccnc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQRADVJVGLEPFM-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1C(F)(F)F)c1cc(Cl)c(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZOCJKUFHDSQIN-UHFFFAOYSA-N", "SMILES:O=c1c2nn(C(F)F)cc2c2cc(F)c(Cl)cc2n1-c1cccnc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIAPTXCWOHSASE-UHFFFAOYSA-N", "SMILES:Cn1cc2c(n1)c(=O)n(-c1cccnc1C1CC1)c1cc(Cl)c(C#N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKROYCBROSDTSF-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c3cn(C)nc3c(=O)n(-c3cccnc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCCINWGAZNJYCR-QGZVFWFLSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccn5ncnc5c4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXYRAKKUCLNAF-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccn5ncnc5c4)c(C)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLLSMLBQPKZPY-LJQANCHMSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSFJJGTQLRBOH-HXUWFJFHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccc5cn(C)nc5c4)c(C)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNWAUWUNAYLHU-GOSISDBHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccn(C)c(=O)c4)c(C)c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWZSJHNTBZGTSA-HXUWFJFHSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3cncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBKUCHUIMKOFP-OAQYLSRUSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBMBHXVAMOJBSO-JOCHJYFZSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C4CC4)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYUHFXGQGJEFK-OAQYLSRUSA-N", "SMILES:C=C(F)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSCZQNHBLIKPF-JOCHJYFZSA-N", "SMILES:CC#CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSMWKJTQFPHTI-GHTZIAJQSA-N", "SMILES:Cc1cc(-c2nn([C@@H]3CCCN(C(=O)[C@H](C)Cl)C3)c3ncnc(C)c23)ccc1Oc1ccc2c(c1)ncn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSMWKJTQFPHTI-WIYYLYMNSA-N", "SMILES:Cc1cc(-c2nn([C@@H]3CCCN(C(=O)[C@@H](C)Cl)C3)c3ncnc(C)c23)ccc1Oc1ccc2c(c1)ncn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBKUCHUIMKOFP-NRFANRHFSA-N", "SMILES:C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHMXXRGFVSUJL-JOCHJYFZSA-N", "SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHMXXRGFVSUJL-QFIPXVFZSA-N", "SMILES:C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYNTRISUCALTC-HXUWFJFHSA-N", "SMILES:C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOLDQEKGGZFSIN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC2(n3nc(-c4ccc(Oc5ccc6c(c5)ncn6C)c(C)c4)c4c(C)ncnc43)CC1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTDZMWNYMXUDY-RYECUYIGSA-N", "SMILES:C=CC(=O)N1CC[C@]12C[C@@H](n1nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTDZMWNYMXUDY-IXKSNFPSSA-N", "SMILES:C=CC(=O)N1CC[C@]12C[C@H](n1nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATYRGNWMEDRTBN-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZBHSJWKGUXLZ-LEWJYISDSA-N", "SMILES:C=CC(=O)N1C[C@@H](F)C[C@@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZBHSJWKGUXLZ-NHCUHLMSSA-N", "SMILES:C=CC(=O)N1C[C@H](F)C[C@@H](n2nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWJANFZFXOFCC-BTZRARBUSA-N", "SMILES:C=CC(=O)N1C[C@H]2C[C@@H](n3nc(-c4ccc(Oc5ccc6c(c5)ncn6C)c(C)c4)c4c(C)ncnc43)[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBYHZHNPCNSIBJ-JKHIJQBDSA-N", "SMILES:C=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](n1nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBYHZHNPCNSIBJ-NUNAXRQHSA-N", "SMILES:C=CC(=O)N1[C@@H]2CC[C@H]1C[C@H](n1nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3)c3c(C)ncnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHULSUDSBNZWAW-AERCQKQUSA-N", "SMILES:C=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](n1nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(Cl)c3)c3c(C)ncnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDKOJIAZVFMCMQ-AERCQKQUSA-N", "SMILES:C=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](n1nc(-c3ccc(Oc4ccc5c(c4)ncn5C)c(C)c3F)c3c(C)ncnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUWPCBYWKKXIQR-ZBYYUNFXSA-N", "SMILES:C=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](n1nc(-c3cc(C)c(Oc4ccc5c(c4)ncn5C)c(F)c3)c3c(C)ncnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPDLQTAUFKKTCR-PMOLBWCYSA-N", "SMILES:C=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](n1nc(-c3cc(F)c(Oc4ccc5c(c4)ncn5C)c(Cl)c3)c3c(C)ncnc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVUQVXNZXQRKRG-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCC3c4cc(OC)c(OC)cc4CCN3CC3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWVJHHNAPJCMG-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]cc(CCC3c4cc5c(cc4CCN3CC3CCOCC3)OCO5)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDXMDXMIRYUJMO-UHFFFAOYSA-N", "SMILES:c1ccc2c(CCC3NCCc4cc5c(cc43)OCO5)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLBGLYQUJCSAH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(Cl)c1CN1CCC(C2CCN(C(=O)c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAAOLRQYVVPXIV-OQGPVULJSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CC[C@H](N2CCN(C(=O)c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1823934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDSYRZYJUKJBP-HNNXBMFYSA-N", "SMILES:O=C(CCCCCCCCCN=C=S)CC(=O)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4513689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCAUYEVFPSOXEF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1nc2cc(F)c(F)cc2c(=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMDMJVDBKYAZQT-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1nc2cc(F)ccc2c(=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLTFJOYTWYIUIG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1nc2cc(Cl)ccc2c(=O)n1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4088920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDIYZSUZGJGKC-UHFFFAOYSA-N", "SMILES:O=CN1N=C(c2ccccc2)CC1c1cccc(Nc2ccnc3cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GABJHGXONDUXIN-OAHLLOKOSA-N", "SMILES:N#CCc1ccc(OC[C@H](O)Cn2cnc3ccc(Cl)cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5276333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYVTOIPJFGULS-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(NCCCCCCCCNCc3cc4ccccc4o3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUEHNGCQRUTNQS-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(NCCCCCCCCNCc3cc4ccccc4s3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPZYSBUCLZSGQ-UHFFFAOYSA-N", "SMILES:COc1cccc(N(CCNC(C)=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZDLQXUNHNNAQ-UHFFFAOYSA-N", "SMILES:CC(=O)NCCN(c1ccc(F)cc1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL286615", "category": ["biolink:ChemicalEntity"], "name": "LUZINDOLE", "xref": ["InChIKey:WVVXBPKOIZGVNS-UHFFFAOYSA-N", "SMILES:CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5568071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLNNXJOEJRKHAM-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)c(CNc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCYLUNPFECYGDW-UHFFFAOYSA-N", "SMILES:CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1327247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOIPCLEKCEANF-UHFFFAOYSA-N", "SMILES:CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL124699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRYUMPMURJHKNE-UHFFFAOYSA-N", "SMILES:COc1cc2[nH]cc(CCNC(C)=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URBHHEGXYAFBNW-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNWDMICUDNQPEK-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBBQAIUYGLLDDE-UHFFFAOYSA-N", "SMILES:C=CCC(=O)NCCc1c(Cc2cccc(OC)c2)oc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTOLFDTLADRFL-UHFFFAOYSA-N", "SMILES:COc1cccc(C(CCNC(C)=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL394273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGLMAYDVAMCSR-UHFFFAOYSA-N", "SMILES:COc1cccc(N(CCNC(C)=O)c2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPWCECQCQIIXNN-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOONFKRLIIMOMT-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCCc1cc(OC)ccc1CCc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2326200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABJOHSLYSRTJAR-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCCc1cc(OC)ccc1C#Cc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VERILOROOMDMCV-UHFFFAOYSA-N", "SMILES:CC(=O)NCCC1=C(c2cccc(C(C)C)c2)Cc2ccc3c(c21)CCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL33185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXXKKZBZKUDKMA-UHFFFAOYSA-N", "SMILES:CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYIUGOJQFWLAZ-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIFQXPRSJKRAO-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSTUVBOFXYZFGD-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2c(OC)ccc3c(=O)n(C)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPGTHUDTCBGRU-UHFFFAOYSA-N", "SMILES:CCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3612471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKKFFKBQHHIOE-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJUIMSHUKZPSNN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CCNC(C)=O)c1n2CCc2ccccc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOIQMQBKLGFZQA-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRRNTLOOBOZSX-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKTSTVAMRIWLLT-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C(C)CNC(C)=O)c1n2CCc2ccccc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSPKEIAHRSYAMF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(C(C)(C)CNC(C)=O)c1n2CCc2ccccc2-1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYCJMVOQUGSQKK-UHFFFAOYSA-N", "SMILES:CNC(=O)NCC(C)c1c2n(c3ccc(OC)cc13)CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDPWBYNELFVJPP-UHFFFAOYSA-N", "SMILES:CCOC(=O)NCC(C)c1c2n(c3ccc(OC)cc13)CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQFJWGPQMAIOT-UHFFFAOYSA-N", "SMILES:CCC(=O)NCC(C)(C)c1c2n(c3ccc(OC)cc13)CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWWDVYDIORRFFV-UHFFFAOYSA-N", "SMILES:COc1cc(Br)c(Cc2cc(OC)c(OC)cc2CC(=O)OC(C)(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIYQREMVBQNPNM-UHFFFAOYSA-N", "SMILES:COc1cc(I)c(Cc2cc(OC)c(OC)cc2CC(=O)OC(C)(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYIGIYHUHLKXSH-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2cc(OC)c(OC)cc2CC(=O)OC(C)(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSRQWEKGPZNECQ-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(Cc2cc(OC)c(OC)cc2CC(=O)OC(C)(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGEDIHZQKNVQGS-UHFFFAOYSA-N", "SMILES:COc1cc(CC(=O)OC(C)(C)C)c(Cc2cc(OC)c(OC)cc2-c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560670", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFYDOYWCOWNJX-UHFFFAOYSA-N", "SMILES:COc1ccnc(N(C)CCNC(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYXKGUCRNDMFB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(N)=O)c2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5566635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLGYMTZAYXGESI-UHFFFAOYSA-N", "SMILES:COc1cccc(CNc2nc(C3CC3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGKXVMBCGVGPAJ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2c(N)cc(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1578224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJIADKXPXTFQQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(C(=O)c2ccccc2Cl)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKIKPOWQPJKOC-UHFFFAOYSA-N", "SMILES:Nc1cc(=O)[nH]c(=S)n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZCAIJJBDQQHD-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKGLKQSEYSFDLK-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CNCc2c(C4CC4)ncn2-3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJQZERSMLNUKKS-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CNCCc2c(C4CC4)ncn2-3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSCWVRGUXWHANK-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCCc2nc(C4CC4)cn2-3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCDXGNNBKMEEEG-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CNCc2nc(C4CC4)cn2-3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVDAWFURCFGQZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)COCc2nc(C4CC4)cn2-3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUMHHOMYRXBBQR-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCPTVOZWVQEEBK-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(N2CCc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQINUDUJIANJLV-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(-n2ccc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJZZWNGHCFRCO-UHFFFAOYSA-N", "SMILES:COc1cc2ccn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTFLXHVZMPHBN-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(N2CC(C)(C)c3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRDYYBPBINZIEC-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNDWSZILMAPTOL-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(N2Cc3cc(-n4cnc(C5CC5)c4)ccc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNVQSQNCAHFEG-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(N2C(=O)c3ccc(-n4cnc(C5CC5)c4)cc3C2(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXQRFYWDMYPLEV-UHFFFAOYSA-N", "SMILES:CC(C)n1nnnc1-c1cccc(N2C(=O)c3cc(-n4cnc(C5CC5)c4)ccc3C2(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDDLAAKOYYGJG-QRZVFWKLSA-N", "SMILES:[2H]c1cc(-c2nncn2C(C)C)nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)c1[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDDLAAKOYYGJG-MMIHMFRQSA-N", "SMILES:[2H]c1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)cc(C)c1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDDLAAKOYYGJG-WFGJKAKNSA-N", "SMILES:[2H]C([2H])([2H])C(n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1)C([2H])([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDDLAAKOYYGJG-HSNISVEUSA-N", "SMILES:[2H]C([2H])([2H])C([2H])(n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1)C([2H])([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHHYSPIBITYYDU-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2cccc(-c3ccoc3)n2n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCRSNDMWOPMGQF-UHFFFAOYSA-N", "SMILES:COc1cc2nncc(Oc3ccc(NC(=O)c4cn(C(C)C)c5c(c4=O)CCC=C5)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVHVGCMESCYOP-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5c(c4=O)CCC=C5)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRSLEBBTJAYKT-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(-n3cnc(C4CC4)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUQBXOPYHPCID-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOFKNPRGOIHMX-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLGPTHQOWJVDX-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCC4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLPJKFBHZBJFGH-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFULYXIUVIKOLL-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKJGNIBDQTUASB-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCOC4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJJHJVETRFBRW-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCNC4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSFXIQDUPPRJZ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCS(=O)(=O)C4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPWSILBHAPXRQP-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4ccccn34)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQZUAFNKVOTHDH-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4ncncn34)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGTMFMQQONRUQZ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4[nH]ccn34)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMHLKRGLCKMJHQ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4sccn34)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFPSBJEZFBQQK-OAHLLOKOSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFPSBJEZFBQQK-HNNXBMFYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWLXBMPXPDDPY-QGZVFWFLSA-N", "SMILES:CC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWLXBMPXPDDPY-KRWDZBQOSA-N", "SMILES:CC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYLMQHUIHSMPX-GOSISDBHSA-N", "SMILES:CCC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYLMQHUIHSMPX-SFHVURJKSA-N", "SMILES:CCC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAGPNUMTWORZED-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3C(C)(C)CC4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXMYVIYNFVVPN-KRWDZBQOSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](CC#N)CC4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFTHQZYTXKIHJQ-UHFFFAOYSA-N", "SMILES:C=CC1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMCXKFWFVDHTEN-UHFFFAOYSA-N", "SMILES:C#CCC1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXYJSZSDDBZVTB-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C)C4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGAUETZJCWWRW-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C)(C)C4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQYZSEJHNJSVSK-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC3(CC3)C4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJBQUJSHJXMPGD-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C3CC3)C4)n2)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJDPJABRNTJBZ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUFVLJKMROYTMA-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(N2CCOc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUFGYUFAPLFHQI-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(-n2cnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXQFAOGWKVLCJJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(-n2ncc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDFIVCFCZCGYAY-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(-c2cn(C)c3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVBJMMUFGDLKP-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFYHJIKIHJCQRO-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2nncc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNHGYBGRLTMDQ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2nnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYAJTUNGFPGXIH-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cncc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVZCGEGKFWUVTE-OAHLLOKOSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C)n2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVZCGEGKFWUVTE-HNNXBMFYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](C)n2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGBLHGLBHMIRO-OAHLLOKOSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2O[C@H](C)Cn2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGBLHGLBHMIRO-HNNXBMFYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2O[C@@H](C)Cn2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSYDFANFYPONG-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OC2(CC2)Cn2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNLHTJIFVHPLDK-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCDOTHGSYLQCU-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(C)(C)n2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKWREFNJBSZMY-DEOSSOPVSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C2CC2)n2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJWWGDYUGKRMTJ-INIZCTEOSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CO)n2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUPGFGNOXKHQI-INIZCTEOSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CF)n2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHUPGFGNOXKHQI-MRXNPFEDSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](CF)n2cnnc2-3)cc1-n1cnc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLJHQOZRQYPKT-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cc(C2CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYRWZZKWIFDRTR-UHFFFAOYSA-N", "SMILES:Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTAURWQYWWPLU-ZDUSSCGKSA-N", "SMILES:C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLAPUFGMEOJBEC-LBPRGKRZSA-N", "SMILES:C[C@H]1CCCOc2ncccc2C(=O)Nc2cccc(n2)-c2nncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTWIOZMBZSUXSP-HNNXBMFYSA-N", "SMILES:C[C@H]1CCCOc2ncc(-c3ccncc3)cc2C(=O)Nc2cccc(n2)-c2nncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIUNZNWFUHXZHY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2ccn(-c3cccc(-c4nncn4C(C)C)n3)c2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYDAVPRQAZMDBZ-QGZVFWFLSA-N", "SMILES:C[C@H](CO)n1cnnc1-c1cccc(N2CCN(c3ccc(C(=O)N4CCCCC4)cn3)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBNVCPMCKPUPOU-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(NC(=S)Nc2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPLYSIEQOFOAH-UHFFFAOYSA-N", "SMILES:CC(C)n1cnnc1-c1cccc(C(=O)Nc2cc(-n3cnc(C4CC4)c3)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEFIACPNVICID-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(-c3cccc(-c4nncn4C(C)C)n3)s2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWUWMOZEQHTAQL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc(-c3cccc(-c4nncn4C(C)C)n3)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAGJTLIXSHRYSW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHXMUAHIIDIOCD-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(C)C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5209503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCBJBLIOKGBPB-YQIBJACNSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C[C@H]4OC(=O)C[C@@H](O)[C@]5(C)[C@@H]4[C@@]3(C)CC[C@H]5C(=C)C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5559902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQTIKUWZIKTLFU-YQIBJACNSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@](C)([C@H](O)CC(=O)O)[C@H](C(=C)C)CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAIFQUBXDNRCHY-UUKDXCCCSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)N(CCOCCOn3nnc4ccccc43)C(=O)OC(C)(C)C)CC[C@]3(C)[C@H](C[C@H]4OC(=O)C[C@@H](O)[C@]5(C)[C@@H]4[C@@]3(C)CC[C@H]5C(=C)C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHOGNUDVWZJXJN-YFPZZISOSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)C(CC(=O)O)OC(C)(C)C5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5565976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKKFNFHWKYEGHQ-SNCABIJNSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)On3nnc4ccccc43)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)C(CC(=O)OCC)OC(C)(C)C5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPQMCVMSFMADI-RICVXGTHSA-N", "SMILES:CC(C)[C@H]1C(=O)N2C[C@]3(C[C@H]2C#N)C(=O)Nc2ccc(cc23)CCCCCN1C(=O)C1CN(c2ccccc2)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJGZIEBEHWOJKC-DCOMTERUSA-N", "SMILES:N#C[C@@H]1C[C@]23CN1C(=O)[C@H](c1ccccc1)N(C(=O)C1CN(c4ccc(F)cc4)N=N1)CCCCCc1ccc(c2c1)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPLCSJNJYNZSDQ-LIEHRTPPSA-N", "SMILES:CCC[C@H]1C(=O)N2C[C@]3(C[C@H]2C#N)C(=O)Nc2ccc(cc23)CCCCCN1C(=O)c1cc2c(F)cc(F)c(F)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSPRPHCRRRXHR-WGXALEHPSA-N", "SMILES:CC(C)[C@H]1C(=O)N2C[C@]3(C[C@H]2C#N)C(=O)Nc2ccc(cc23)CCCCCN1C(=O)c1cc2c(F)cc(F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAUFKKQDRKUDQW-RYRLNICXSA-N", "SMILES:CC(C)[C@H]1C(=O)N2C[C@]3(C[C@H]2C#N)C(=O)Nc2ccc(cc23)CCCCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUUKQLSUQDTUEP-UEVBBWJISA-N", "SMILES:CC(C)[C@H]1C(=O)N2C[C@]3(C[C@H]2C#N)C(=O)Nc2ccc(cc23)CCCCCN1C(=O)c1cc2c(F)cc(F)c(F)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBWMYPKAPIYTJQ-DUSFAAKNSA-N", "SMILES:CC1(C)[C@@H]2[C@H]1CN(C(=O)COc1ccc(OC(F)(F)F)cc1)[C@H]2C(=O)N[C@@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJKOHDJUKCNRG-UAYHHJIBSA-N", "SMILES:O=C[C@@H](C[C@H]1CCNC1=O)NC(=O)[C@H]1[C@@H]2CCC[C@@H]2CN1C(=O)COc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVCYGQVRUNWVOI-FVVUREQNSA-N", "SMILES:CC1(C)[C@@H]2[C@H]1CN(C(=O)OCc1ccccc1)[C@H]2C(=O)N[C@@H](C=O)C[C@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXWDDQJFYNJUCB-LASHMREHSA-N", "SMILES:O=C[C@@H](C[C@H]1CCNC1=O)NC(=O)[C@H]1[C@@H]2CCC[C@@H]2CN1C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCACNUXNXZZCO-RBISFHTESA-N", "SMILES:C=CS(=O)(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RATYOANKPNDVGM-UHFFFAOYSA-N", "SMILES:CCOc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMMIFIBZDAXOX-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVHDLRUJXOVRRY-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(OCC3CCCC3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDVMECTXGSLZNF-UHFFFAOYSA-N", "SMILES:CC1COP(=O)(Oc2cc(O)c3c(=O)c(O)c(-c4cc(O)c(O)c(O)c4)oc3c2)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHHAZIWMJLBFQ-UHFFFAOYSA-N", "SMILES:O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(OP(=O)(Oc3ccccc3)Oc3ccccc3)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLTYNTURIHYYRQ-UHFFFAOYSA-N", "SMILES:O=C1c2c(O)cc(O)c([Se][Se]c3c(O)cc(O)c4c3OC(c3cc(O)c(O)c(O)c3)C(O)C4=O)c2CC(c2cc(O)c(O)c(O)c2)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3348861", "category": ["biolink:ChemicalEntity"], "name": "AMPELOPSIN", "xref": ["InChIKey:KJXSIXMJHKAJOD-LSDHHAIUSA-N", "SMILES:O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O"], "synonym": ["Ampelopsin", "Ampelopsin", "Ampeloptin", "Dihydromyricetin", "Myriceline spe", "Telocapil"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5562077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYTPLZKDUYQTPE-RRPNLBNLSA-N", "SMILES:O=C1c2c(O)cc(OP(=O)(Oc3ccccc3)Oc3ccccc3)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STZSMNMPHCLEPA-PZGXJGMVSA-N", "SMILES:C#CC(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGCCBUMOFAKRU-PZGXJGMVSA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)CC#N)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTZPXHNDSVJPEL-LUDSVSJUSA-N", "SMILES:COc1ccc(/C=C(\\C#N)C(=O)N(c2ccc(-c3ccccc3)cc2)[C@@H](C(=O)N[C@@H](C)c2ccccc2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHJPHUFUJGFFSH-RBISFHTESA-N", "SMILES:C=C(Cl)C(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQECDPKLDAEYEC-RBTNQOKQSA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)CCl)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314568", "category": ["biolink:ChemicalEntity"], "name": "POMOTRELVIR", "xref": ["InChIKey:BNMFQWUHWYJTRI-BQFCYCMXSA-N", "SMILES:N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cccc(Cl)c2[nH]1"], "synonym": ["Pbi 0451", "Pbi-0451", "Pomotrelvir", "PBI-0451", "Pomotrelvir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGRMKHDNYYATC-JFAOBLJGSA-N", "SMILES:O=C1NCC[C@H]1C[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1Cl)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBDCSAAGRTMKG-CUWPLCDZSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMEKWEAKEKVEHF-JOCHJYFZSA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CC2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNOUKGOBWQZPOV-XMMPIXPASA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXLNXQQCDCGFLH-RUZDIDTESA-N", "SMILES:CC(C)(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BROLJTKQRJMMHO-KDYSTLNUSA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVXFUFQTNVWHME-RBISFHTESA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(-n2cccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3605601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXIAISTEXNTHM-OAQYLSRUSA-N", "SMILES:CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYUMSWBYARXABD-XMMPIXPASA-N", "SMILES:CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccno1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVQMADYNRAANRQ-XMMPIXPASA-N", "SMILES:CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cnco1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTRQIVDYTWQDF-XMMPIXPASA-N", "SMILES:CC(C)(C)NC(=O)[C@@H](c1cnccn1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEBBJZIRZCWBBW-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4cnn[nH]4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTFKAVUGOMNLL-UHFFFAOYSA-N", "SMILES:CCn1nncc1Cn1c(=O)[nH]/c(=N\\c2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEYFHLZFXXVGA-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4nnn[nH]4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQYWUTMBHBBLCS-UHFFFAOYSA-N", "SMILES:CCn1nnnc1Cn1c(=O)[nH]/c(=N\\c2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRVISTXAGJMPOF-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(=O)n(Cc3ccc[nH]c3=O)c(=O)n2Cc2cc(F)c(F)c(F)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSLNQMIQKDODL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nc(=O)n(Cc3ccc[nH]c3=O)c(=O)n2Cc2cc(F)c(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFCSHRCKIFNVRT-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc(=O)n(Cc3ccc[nH]c3=O)c(=O)n2Cc2cc(F)c(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPAZJBYZLACQU-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(Nc3cc4sc(N)nc4cc3Cl)n(Cc3cc(F)c(F)c(Cl)c3)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMCSGAYLZYBASR-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(Br)c(Nc3nc(=O)n(Cc4ncn(C)n4)c(=O)n3Cc3cc(F)c(F)c(F)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUHFYYKTFGYTA-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)nc(Nc3cc4sc(NCC(F)F)nc4cc3Cl)n(Cc3cc(F)c(F)c(F)c3)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRHXADRFGATOPS-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2cc(Cl)c(Nc3nc(=O)n(Cc4ncn(C)n4)c(=O)n3Cc3cc(F)c(F)c(Cl)c3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKQFPFFZRYKPO-UHFFFAOYSA-N", "SMILES:CN(C)CCn1cc2cc(Nc3nc(=O)n(Cc4ccc[nH]c4=O)c(=O)n3Cc3cc(F)c(F)c(F)c3)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVVLDAZFHKHQIK-UHFFFAOYSA-N", "SMILES:CC(C)(O)Cn1cc2cc(Nc3nc(=O)n(Cc4ccc[nH]c4=O)c(=O)n3Cc3cc(F)c(F)c(F)c3)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVYIMPSZDKRTMA-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(Nc3nc(=O)n(Cc4ccc[nH]c4=O)c(=O)n3Cc3cc(F)c(F)c(F)c3)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBIOONYVGQXFSO-UHFFFAOYSA-N", "SMILES:O=c1[nH]cccc1Cn1c(=O)nc(Nc2cc3cn(C4CCOCC4)nc3cc2Cl)n(Cc2cc(F)c(F)c(F)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAQORFUVOZMFS-UHFFFAOYSA-N", "SMILES:CC(=O)NCCn1cc2cc(Nc3nc(=O)n(Cc4ccc[nH]c4=O)c(=O)n3Cc3cc(F)c(F)c(F)c3)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZNQYKFVVNVRIS-UHFFFAOYSA-N", "SMILES:CCn1cc2cc(Nc3nc(=O)n(-c4cncc(Cl)c4)c(=O)n3Cc3cc(C#N)ccc3Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBMYODXDXSYJO-UHFFFAOYSA-N", "SMILES:CCn1cc2cc(Nc3nc(=O)n(-c4cncc(Cl)c4)c(=O)n3Cc3cc(C#N)ccc3C)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWFSCKGLKPNMS-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)cc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPYRTVAOJSOTOF-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)cc(Nc3cc4cn(C)nc4cc3OC(F)(F)F)n(Cc3cc(F)c(F)cc3F)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCZUSLMHQMNDJ-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)cc(Nc3cc4cn(C)nc4cc3F)n(Cc3cc(Cl)c(F)cc3F)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPSKIDAOGUZTPG-UHFFFAOYSA-N", "SMILES:Cc1cc(Cn2c(Nc3cc4cn(C)nc4cc3Cl)cc(=O)n(Cc3ncn(C)n3)c2=O)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRIBKZUDHNVRGR-UHFFFAOYSA-N", "SMILES:Cn1cnc(Cn2c(=O)cc(Nc3cc4cn(C)nc4cc3C(F)(F)F)n(Cc3cc(Cl)c(Cl)cc3F)c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXIVGGMUYOXHF-AVJYQCBHSA-N", "SMILES:CNC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)C1CN(C(=O)c2cncc3cccc(O)c23)CCN1Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPLNOSFMIIASSJ-VQTJNVASSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N[C@H]1CCCC[C@H]1NC(=O)c1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXWLTMPUUGHLP-VQTJNVASSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N[C@H]1CCCC[C@H]1NC(=O)c1cncc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHUNOLAAHQCJSR-SANMLTNESA-N", "SMILES:CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N1CC[C@]2(CCN(C(=O)c3cncc4cc(O)ccc34)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWJWOWLPHRPRQ-CVEARBPZSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N[C@@H]1CCC[C@H](NC(=O)c2cncc3cccc(O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLHVXYJNCGYOAT-ZDUSSCGKSA-N", "SMILES:Cc1ccncc1N1C(=O)N[C@@H](CC2CCCCC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZZLPLXHFNHET-ZDUSSCGKSA-N", "SMILES:Cc1c(Br)cncc1NC[C@@H](N)CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESCHWCTTNAICA-INIZCTEOSA-N", "SMILES:O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVGTXZWPFCLWBU-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CC2(C1)NC(=O)N(c1cncc(F)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZLXSUKKDDCIZ-UHFFFAOYSA-N", "SMILES:O=C1NC2(CC(C3CCC3)C2)C(=O)N1c1cncc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFAGBOFQNNFTHG-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CC2(C1)NC(=O)N(c1cncc3ccccc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKGOQXICHYEMJW-UHFFFAOYSA-N", "SMILES:O=C1NC2(CC(C3CCC3)C2)C(=O)N1c1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWBPGOKJGLWQEA-UHFFFAOYSA-N", "SMILES:O=C1NC2(CC(c3ccccc3)C2)C(=O)N1c1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNEFARNHWPQPSQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1CC2(C1)NC(=O)N(c1cncc3ccccc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPIYAZEXUXZGS-UHFFFAOYSA-N", "SMILES:O=C1CCCN1CN1C(=O)N(c2cncc3ccccc23)C(=O)C12CC(C1CCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLLAHIKTNNUODO-UHFFFAOYSA-N", "SMILES:O=C1N(c2cncc3ccccc23)C(=O)C2(CC(C3CCC3)C2)N1Cc1ccn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGCKDLPVNKYIH-UHFFFAOYSA-N", "SMILES:CC1(c2ccccc2)CC2(C1)NC(=O)N(c1cncc3ccccc13)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVFTECNTUDPCN-UHFFFAOYSA-N", "SMILES:O=c1c2cnccc2sn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHPHLOVWCACRM-UHFFFAOYSA-N", "SMILES:CC(C)CCn1sc2c(Br)cccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL45151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FERJOBBPSYQFLY-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2sn1-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOBGYDUSHCPFP-QMMMGPOBSA-N", "SMILES:O=C1C[C@H](Cn2sc3ccccc3c2=O)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKZLSSKSFNOBS-UHFFFAOYSA-N", "SMILES:COCCn1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDLWUWJENZJXFY-UHFFFAOYSA-N", "SMILES:COC(=O)CCn1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYFJYVFUYERQR-UHFFFAOYSA-N", "SMILES:COC(=O)Cn1sc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZARIXTUHKSTYAP-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1cc(-c2cccc(Cl)c2)cn(-c2cccnc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXGLBZMRWKVPSY-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1cc(-c2cc(Cl)cc(Cl)c2)c(=O)n(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPNFXFXDJUNTEW-UHFFFAOYSA-N", "SMILES:COCCCc1cc(Cl)cc(-c2cc(-c3ccccc3C#N)cn(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCHFFNDYYKHQM-UHFFFAOYSA-N", "SMILES:COCCOc1cc(Cl)cc(-c2cc(-c3ccccc3C#N)cn(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUDFTLRNHLQJHN-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1cc(-c2cc(Cl)cc(OCc3ccccc3)c2)c(=O)n(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4854695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHBWVWMKFOCWLG-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1cc(-c2cc(Cl)cc(OCCC(F)(F)F)c2)c(=O)n(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIGFUOVZDKJCW-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1cc(-c2cc(Cl)cc(OCCc3ccccc3)c2)c(=O)n(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMETVGKNHTXVQR-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)cn(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4872194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCBTWHGKCNYAB-UHFFFAOYSA-N", "SMILES:CCCOc1cc(Cl)cc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)cn(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSDMEQDHYASRTO-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(Cl)cc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)cn(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRBCGKVOCKXJBE-UHFFFAOYSA-N", "SMILES:CC(C)COc1cc(Cl)cc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)cn(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSFPWJWCIUVJO-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(OCCc4ccccc4)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFBCUCFCLFZML-UHFFFAOYSA-N", "SMILES:COCCCc1cc(Cl)cc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)cn(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4863054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHQBUUBHCKLKLD-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(OCCC(F)(F)F)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJCERHSOGESPO-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(COc4ccccc4)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYWWXXXHRGVYFY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1OCc1cc(Cl)cc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)cn(-c3cccnc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTIBMQXKUICLER-UHFFFAOYSA-N", "SMILES:Cc1cccc(OCc2cc(Cl)cc(-c3cc(-c4c[nH]c(=O)[nH]c4=O)cn(-c4cccnc4)c3=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHIPHNISPPXRX-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(COc4ccccc4F)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUZVTJNNWTRMC-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(COc4cccc(F)c4)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWHGEAGRPZDJFS-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(COc4c(F)cccc4F)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIWYMXRCBCYMRX-UHFFFAOYSA-N", "SMILES:O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(COc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKSDXABBDHCBNZ-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4cn(CCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMVXPXROBBLOPO-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4cn(CCCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSLVITDPFJGYFB-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4cn(CCCCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLPPDGZKEPXSFY-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4cn(CCCCCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCLOSUBMGSJVDG-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4cn(CCOCCOCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCUGEVRXECHJPI-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4cn(CCOCCOCCOCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFFUROIDILBVEV-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4cn(CCCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSOZTMWHGUBHJJ-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4cn(CCCCCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTTYIRIQHHWDMJ-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(/N=c3\\[nH]c(=O)n(Cc4cn(CCOCCOCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6)nn4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVQPKMJKSYHEEI-UHFFFAOYSA-N", "SMILES:COc1cc2nc(NCCNC(=O)CCCCC(=O)NO)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRIOWSCVJSHXMY-ZRSZNMTBSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(=N)NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAGPSMVIFNDBGK-BONSOQDYSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)NCCCCOc1ccc(C3CC(c4ccc(Br)cc4)=NN3C(=O)CCl)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYIGLWQQAMROOF-HHHXNRCGSA-N", "SMILES:COc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(Cc1ccco1)Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5410236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHDAFOFVMCVAM-UHFFFAOYSA-N", "SMILES:O=C1C(Nc2ccccc2N2CCNCC2)=CC2=NS(=O)(=O)c3cccc1c32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL399894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SREUSBYRKOPNJK-AJPRWBMOSA-N", "SMILES:COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\\C)C(C)(C)OC(C)=O)[C@@H]24"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5558309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGQLQBGLDTPQC-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccc3c(c2)C(=O)C(=O)C2=C3OC(C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWIBTWIQNUDAW-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2[nH]c(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIUCLKNTUXMZEI-RZUBCFFCSA-N", "SMILES:Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAHUHEDUDMTTTF-POHZVDBMSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJUHIGPCQYUCO-XPWALMASSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2ccccc2)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTBLCBQDJHJRC-CEXWTWQISA-N", "SMILES:C#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(C)=O)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKGKVBGGQGUTRM-HLAWJBBLSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2ccnn2C)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQBXMURXWMRPQC-FGTMMUONSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(C#N)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMCIYKHTDLJNI-IXDOHACOSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(Cl)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLFZEXHABLXTOC-IKGGRYGDSA-N", "SMILES:CC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccccc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMCIYKHTDLJNI-IKGGRYGDSA-N", "SMILES:CC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(Cl)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCDVISPDWKGMO-HMXCVIKNSA-N", "SMILES:Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2ONC(=O)c2ccc(-c3scnc3C)cc2)C(C)(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBCKIRZHKYOOW-UIFSOBQWSA-N", "SMILES:Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2(C)NC(c3ccc(-c4scnc4C)cc3)=NO2)C(C)(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZEXXAFZJBGPFF-YTBIZOFCSA-N", "SMILES:Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2[C@]2(C)NC(c3ccc(-c4scnc4C)cc3)=NC2=O)C(C)(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZEXXAFZJBGPFF-YFSFYVHYSA-N", "SMILES:Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2[C@@]2(C)NC(c3ccc(-c4scnc4C)cc3)=NC2=O)C(C)(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWDQDLHFLQHLOE-GIWBLDEGSA-N", "SMILES:Cc1cc(-c2scnc2C)ccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWPXWMDKBWUEDW-AGHHOFFYSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHPGTOYKAZPYSV-SFLYRZDNSA-N", "SMILES:Cc1cc(-c2scnc2C)c(C)cc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CALGVIRTTPEDRQ-WWEVIYMKSA-N", "SMILES:COc1cc(-c2scnc2C)cc(OC)c1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKVOYJDCPJZFX-FHJLPGHOSA-N", "SMILES:COc1c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)C2(C#N)CC2)C(C)(C)C)ccc(-c2scnc2C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWQFCWWNERSMJE-ZDUIBRFZSA-N", "SMILES:Cc1cc(-c2scnc2C)ccc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(C#N)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEJLLQBPVXNTEX-BCTIBOENSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYJXPRLRNNDPG-WVBUVRCRSA-N", "SMILES:COc1cc(-c2scnc2C)c(F)cc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(F)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBHYPBDUODSQHJ-RZNKLVQRSA-N", "SMILES:Cc1cc(-c2scnc2C)ccc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(F)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPGPPDKBMUPPOH-RSGMMRJUSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)C2(F)CC2)C(C)(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWPAOVSRKMPDRI-WRKFZARUSA-N", "SMILES:COc1cc(-c2scnc2C)c(F)cc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(F)CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLATVTBSYPPYSR-SPTRTZJMSA-N", "SMILES:Cc1ncsc1-c1cc2c(cc1F)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(F)CC1)C(C)(C)C)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEMZZJSHJCPSI-MTBPNPBQSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)CCCCCCC(=O)N2CCN(C[C@]3(C)CCC(c4ccc(Cl)cc4)=C(CN4CCN(c5ccc(C(=O)NS(=O)(=O)c6ccc(N[C@H](CCN7CCOCC7)CSc7ccccc7)c(S(=O)(=O)C(F)(F)F)c6)cc5)CC4)C3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVEHWADUNRICSP-JXMROGBWSA-N", "SMILES:CN(C)Cc1ccc(/C=C/c2n[nH]c3cc(-c4ccnc(N)n4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWJXJKMZPEYJO-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2nc(Nc3cccc(N4CCOCC4)c3)nc3[nH]ncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMMXMJJQNDXLSR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(S(C)(=O)=O)cc2)nc2[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGMHYCPDXPSRF-UHFFFAOYSA-N", "SMILES:COCCOc1ccc2cc1OCC(=O)N(C)CCCN(C)Cc1c[nH]c3ncnc(c13)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2407902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNKVVVDXLWUPRE-MHZLTWQESA-N", "SMILES:CN1CCN(Cc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)CNC(=O)[C@@H]2CCCN2C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPIHNCIAHOXBIB-UHFFFAOYSA-N", "SMILES:COc1c(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)nc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPZNTUYHCRQOIQ-UHFFFAOYSA-N", "SMILES:COc1c(Nc2cc(C)[nH]n2)nc(Sc2ccc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3F)cc2F)nc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBBYOERXFYPZCQ-HFKWXSIISA-N", "SMILES:CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(OCc3cn(CCCCNC(=O)Oc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)cc2)CC[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QANLZMZKZIPVPD-DRTKLYQKSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)Nc2ccc(C(=O)Nc3ccccc3N)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL380500", "category": ["biolink:ChemicalEntity"], "name": "VARIOLIN B", "xref": ["InChIKey:RTHKPHCVZVYDFN-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2c3c(O)ccnc3n3c(N)nccc23)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4740353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTQQDEMYPLKSDW-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2c3cccnc3n3c(N)nccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270897", "category": ["biolink:ChemicalEntity"], "name": "MERIOLIN 2", "xref": ["InChIKey:JYGNOLIKBUTZNC-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2c[nH]c3nccc(O)c23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405665", "category": ["biolink:ChemicalEntity"], "name": "MERIOLIN 1", "xref": ["InChIKey:HQHSJJZIICGOIX-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2c[nH]c3ncccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410807", "category": ["biolink:ChemicalEntity"], "name": "SANGLIFEHRIN A", "xref": ["InChIKey:ONJZYZYZIKTIEG-CFBQITSMSA-N", "SMILES:CC[C@H]1C[C@H](C)[C@@]2(NC1=O)O[C@@H](C[C@H](O)[C@@H](C)CC/C=C/C=C(\\C)[C@@H]1C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3cccc(O)c3)C(=O)N3CCC[C@H](N3)C(=O)O1)[C@H](C)[C@H](O)[C@@H]2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1205446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMIXXRIRIVOJRZ-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL97510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRMUISNHCCQMGM-UHFFFAOYSA-N", "SMILES:CCC(C)NC(=O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL318664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDIMGROXSSYHE-UHFFFAOYSA-N", "SMILES:CCC(CC)NC(=O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL329784", "category": ["biolink:ChemicalEntity"], "name": "(CYCLOHEXYLAMINO)CARBONYLPHOSPHONIC ACID", "xref": ["InChIKey:QQRCALUVCOFAOX-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXBWRVPODLHFU-YCNYHXFESA-N", "SMILES:C[Si](C)(C)n1c(=S)c(=P(c2ccccc2)(c2ccccc2)c2ccccc2)/c1=N/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJVSGLLRFCLHDM-UHFFFAOYSA-N", "SMILES:C[Si](C)(C)N1C(=O)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)P1(c1ccccc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1511860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLZCMHNSPJKOQN-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nc(CSc3nc[nH]n3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHEBUQUOLYTKDT-UHFFFAOYSA-N", "SMILES:CC(C(=O)N(C)N1C(=O)CSC1c1ccc(C(=O)O)cc1)c1nsc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTINACBXEZMUIJ-UHFFFAOYSA-N", "SMILES:CC(C(=O)N(C)N1C(=O)CSC1c1ccc(O)cc1)c1nsc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMPOJXDFKFBTL-RIYZIHGNSA-N", "SMILES:COc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZXBPMEYIPBJP-UHFFFAOYSA-N", "SMILES:CC(=O)N1c2nc(=O)cc(C)n2C(c2ccc(Br)cc2)N1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISAKGERLXJBHSA-UHFFFAOYSA-N", "SMILES:CC(=O)N1C2NC(C)=CC(=O)N2C(c2ccc(Br)cc2)N1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDLRDSVOOPYACB-QGZVFWFLSA-N", "SMILES:CCC[C@H](C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXBYFAKJXLVSV-KRWDZBQOSA-N", "SMILES:CCC[C@@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAXBYFAKJXLVSV-QGZVFWFLSA-N", "SMILES:CCC[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSJUMBQAVBXQRQ-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNUEXPLVMVJCD-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOYQRZYABTIMK-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(Cc2cccc(F)c2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL409536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLBINCOCFGQAJM-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)c1cn2c(=O)n(Cc3ccccc3)c(=O)cc2s1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL496942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTYDFYSVZBKOB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C#CCc3ccccc3)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5568549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STDLDNSJNOVMBK-NVXWUHKLSA-N", "SMILES:C[C@H](C[C@H](COC(=O)CCC(=O)O)NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBHPKKKTVUSPA-UKRRQHHQSA-N", "SMILES:C[C@H](C[C@H](CO)NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNCXCUPSVACQX-UHFFFAOYSA-N", "SMILES:O=C(O)CCCOc1cccc(CNC(=O)C#Cc2cn(Cc3ccc(C(=O)O)cc3)c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEOITMAQZMOIRE-GOSISDBHSA-N", "SMILES:CC(C)[C@@H](NS(=O)(=O)c1ccc(-n2cc(CCn3nc4c(Br)c(Br)c(Br)c(Br)c4n3)nn2)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIYQLEBAYIFBEL-UHFFFAOYSA-N", "SMILES:O=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(CCn4nc5c(Br)c(Br)c(Br)c(Br)c5n4)nn3)cc2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPTDGJGPIAVTBX-XMMPIXPASA-N", "SMILES:O=C(NO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(CCn3nc4ccccc4n3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQBCWKSXQNCFJE-UHFFFAOYSA-N", "SMILES:O=C(NO)C1(S(=O)(=O)c2ccc(-n3cc(CCn4nc5ccccc5n4)nn3)cc2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACLXEQPOWXKWHV-KXTRFFEISA-N", "SMILES:O=C(NO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(CCN3C(=O)C4C=CC=CC4C3=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSQZTQILZKZEL-KXTRFFEISA-N", "SMILES:O=C(NO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(CCN3C(=O)C4C=CC(Br)=CC4C3=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRKVUPWOVMVLA-DDJHWDJXSA-N", "SMILES:CC1=CC2C(=O)N(CCc3cn(-c4ccc(S(=O)(=O)N[C@H](Cc5ccccc5)C(=O)NO)cc4)nn3)C(=O)C2C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BELCFXPRQIHBNP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccccc3O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYMUYQFFJVIVSX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGVMVEJHLVDQKW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Br)cc3)cc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMHVUYNBVWXKH-MXTVWRFXSA-N", "SMILES:O=C1OC[C@H]2OC(O)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5559701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PALCPRBDTZGJKV-PHBWDHFDSA-N", "SMILES:CC(=O)/C(=N\\Nc1ccccc1)Sc1nnc(-c2cc3ccccc3[nH]2)n1/N=C/c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXWYYWAMCNEWRV-ZBXHWZOBSA-N", "SMILES:CCOC(=O)/C(=N\\Nc1ccccc1)Sc1nnc(-c2cc3ccccc3[nH]2)n1/N=C/c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQWAALUGBLUAZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(Cn2ccnc2)c2cccc(O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYGBNRINQSQNJG-UHFFFAOYSA-N", "SMILES:Cc1ncsc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(NC(=O)CCCCCCCCCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPRIWHDFWDSJRZ-UHFFFAOYSA-N", "SMILES:CC1CCC(C(C)C)C(OCC(=O)NCCS(=O)(=O)N2CCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSOIATZOKAITQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-n2cnc3c(NCc4nc5cc(NCCCCCCCCNC(=O)COc6cccc7c6C(=O)N(C6CC(=O)CNC6=O)C7=O)c(F)cc5[nH]4)nc(N4CCOCC4)nc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPQPNLLAWYWCR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(CCCCC4CN(CCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)N=N4)c4ncnc(N)c34)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYSEJGRVVIEFF-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc(N3CCN(CCCCCCC(=O)NCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)ncc1C(F)(F)F)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXUFNUFUSSKQI-SSEXGKCCSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)NCCCCCNC(=O)CN1CCOc3cc(N(CCC#N)C(=O)CCl)ccc31)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVZHEIWBYATEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NO)cc1NCc1ccc(OCc2cn(CCCCCC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSNRCCDAFVEIX-COCJHVOVSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)Nc2ccc(C(=O)Nc3ccccc3N)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCRXMQLBGTUFP-GNOPPAGOSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC[C@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)Nc2ccc(C(=O)Nc3ccccc3N)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDUVJXRAGKLQSQ-CENKHQFISA-N", "SMILES:Cc1ncsc1-c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)c(CCCCCCCCCCCCC(=O)Nc2ccc(C(=O)Nc3ccccc3N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454878", "category": ["biolink:ChemicalEntity"], "name": "TRIFOLIRHIZIN", "xref": ["InChIKey:VGSYCWGXBYZLLE-QEEQPWONSA-N", "SMILES:OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@H]2c4cc5c(cc4O[C@@H]32)OCO5)[C@H](O)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5555324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIZDBNPUFMDGFZ-UHFFFAOYSA-N", "SMILES:OCc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETSDIJERJUOJL-UHFFFAOYSA-N", "SMILES:N#CC1C(=O)Nc2scc(-c3ccc(-c4ccccc4O)cc3)c2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450916", "category": ["biolink:ChemicalEntity"], "name": "PROANTHOCYANIDIN A1", "xref": ["InChIKey:NSEWTSAADLNHNH-TXZJYACMSA-N", "SMILES:Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5556283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCGMILZGRGEWHL-QYGSNONCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)O"]}
{"name": "Translocator protein", "xref": ["CHEMBL.TARGET:CHEMBL2149"], "id": "UniProtKB:P50637", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454173", "category": ["biolink:ChemicalEntity"], "name": "ZEARALENONE", "xref": ["InChIKey:MBMQEIFVQACCCH-QBODLPLBSA-N", "SMILES:C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL470881", "category": ["biolink:ChemicalEntity"], "name": "OXOGLAUCINE", "xref": ["InChIKey:ZYKCETVKVRJFGD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4744680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZRXJIYAFANHP-IBGZPJMESA-N", "SMILES:O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(F)cc4)cnc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKISLZKMBSCLSS-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHOOHUMOHVIXEF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nccc(-c3ccnc(N4CCN(CCN)CC4)c3)n2)cc1Cl"], "chembl_natural_product": true}
{"name": "FUN14 domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067457"], "id": "UniProtKB:Q8IVP5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464529", "category": ["biolink:ChemicalEntity"], "name": "NUCIFERINE", "xref": ["InChIKey:ORJVQPIHKOARKV-OAHLLOKOSA-N", "SMILES:COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1896972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSQVQUKCXYAMW-YZSQISJMSA-N", "SMILES:O=C(Oc1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL508894", "category": ["biolink:ChemicalEntity"], "name": "(-)-CARYOPHYLLENE OXIDE", "xref": ["InChIKey:NVEQFIOZRFFVFW-RGCMKSIDSA-N", "SMILES:C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C"], "chembl_natural_product": true}
{"name": "Ferritin heavy chain", "xref": ["CHEMBL.TARGET:CHEMBL6066220"], "id": "UniProtKB:P02794", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3582407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPUZCMVSMPWSKU-FMIVXFBMSA-N", "SMILES:CCN(CC)c1ccc(/C=C(\\C#N)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCAAVLGDRPJBIW-BSYVCWPDSA-N", "SMILES:CC(C)(C)[Si](CCOc1ccc(/C=C(\\C#N)C(=O)O)cc1)(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1303766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHCPTFFIERCDSB-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2442509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTKDQPFUOFAMRL-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5303435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLAUJSRBKSRTGQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)c2ccccc2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWICAZPIPKIMY-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nn(C)c(=O)c2c(SCCCO)c(Cc3cccc4ccccc34)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKGMEGPPDJEYIK-UHFFFAOYSA-N", "SMILES:CC(C)(C)COc1cccc(-c2cc(COC(C)(C)C(=O)O)nn2-c2ccccc2N2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCVUPOVEKOKOGB-UHFFFAOYSA-N", "SMILES:Cn1ncc2cccc(-n3nc(COC(C)(C)C(=O)O)cc3-c3cccc(OCC(C)(C)C)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVFXPXLAFAXCW-VWLOTQADSA-N", "SMILES:CCn1ncc2ccc(-c3cc(CO[C@@](C)(CC)C(=O)O)nn3Cc3ccccc3Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCQXTRMPQSQDAK-MHZLTWQESA-N", "SMILES:CC[C@](C)(OCc1cc(-c2cccc(OC3CC3)c2)n(-c2ccccc2N2CCC2)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL316779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOSBUNBTXXXMFG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCAVVYYIUQIEED-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTGVDZIMBQRGPD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1615215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRZYENXYGGOPSS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMPBHKZESPSEFG-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBBSYGHVRHIXQT-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccsc1-c1nc(-c2ccccc2)no1)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIIGYLADEADHLF-GFCCVEGCSA-N", "SMILES:N[C@H](CNC(=O)P(=O)(O)O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBNDQCZXDKUFN-NJHWEWLZSA-N", "SMILES:NS(=O)(=O)c1ccc(CN/C=C/C(=O)/C=C/c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVRNHWKWNVSHQ-WOJGMQOQSA-N", "SMILES:CC(=O)C(C)/C(C)=N/NC(=O)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCJDHDJPZJGQU-RDRPBHBLSA-N", "SMILES:O=C(N/N=C/c1n[nH]c(-c2ccccc2)c1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXGBWZHQBYGIKT-WCWDXBQESA-N", "SMILES:Nc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(N)c1/N=N/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFMJBCDUMLVZJM-ROUWMTJPSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(COS(N)(=O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGTOYVIQASPNAA-UHFFFAOYSA-N", "SMILES:C=CCN1CCN(Cc2c(O)ccc3c(C)cc(=O)oc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCNYQNKGWIHTR-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccccc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEWXJARBUCSXAX-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2C(=O)CSC2c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGEFUUBEKQFGOS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)/C(=N/c1cccc(S(N)(=O)=O)c1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIRWJAIWMGKQA-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPJMXSZNJCDVKB-VFUWXHBOSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(COS(N)(=O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COQYJLUVMUZFSJ-RJCDTCFGSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(COS(N)(=O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)NCC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12252", "category": ["biolink:ChemicalEntity"], "name": "5,7-DIHYDROXY-4-METHYLCOUMARIN", "xref": ["InChIKey:QNVWGEJMXOQQPM-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(O)cc(O)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5532453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIFVIFOEKKLVCK-UHFFFAOYSA-N", "SMILES:O=C(CNC(=O)Oc1ccccc1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQKSHQUEREEKM-UHFFFAOYSA-N", "SMILES:Nc1ccc2c(c1)NC(=O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOINLJRVEBYARJ-NSHDSACASA-N", "SMILES:CC(C)(O)[C@@H](O)COc1c2occc2cc2ccc(=O)oc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5555006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQQQVVJEAUTWML-UDWIEESQSA-N", "SMILES:C/C(=N\\Nc1ccc(C#N)cc1)c1cc2ccccc2c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQWSXYHSUHDDR-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5560480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXILTDQCHBMKL-UHFFFAOYSA-N", "SMILES:CCc1c(OCC(=O)c2ccccc2)ccc2c(C)c(CC(=O)OC)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL150302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJQYTHQDUDCJEQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc2ccc(O)cc2oc1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4542923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSQKHXZSFHRPGL-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3cn(CCCCCCCCCCCCOc4ccc5ccc(=O)oc5c4)nn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCFBPXNYIFIBAQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVTHGBZWUCGTAW-UHFFFAOYSA-N", "SMILES:O=c1ccc2cc(-n3cc(CNc4ccc(Br)cc4)nn3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSCDGOJFJUPTSP-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)CSC1=O)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXDOKFCATXUFRO-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCCCCCNc3nc4cc(-c5ccccc5)ccc4o3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHQMEIHDMZVBJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2cc3ccccc3oc2=O)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBSIHRLEZLPOG-SDNWHVSQSA-N", "SMILES:Cc1nc(-c2cc3ccccc3oc2=O)ccc1C(=O)/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDKYGJCSKBUQDD-UHFFFAOYSA-N", "SMILES:NC(N)=NC(=O)c1nc(Cl)c(N)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHGYVSLVQYZJDH-UHFFFAOYSA-N", "SMILES:NC(N)=NC(=O)c1cc(Cl)c(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFTYCNLRNXYFT-UHFFFAOYSA-N", "SMILES:NC(N)=NC(=O)c1cc(Cl)c(N)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTYSJIGIHOKDW-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N=C(N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64360", "category": ["biolink:ChemicalEntity"], "name": "ENIPORIDE", "xref": ["InChIKey:UADMBZFZZOBWBB-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cccc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N"], "synonym": ["Eniporide", "Eniporida", "EMD-96785"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQYPJPSITWOGIY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNFKKQSEFIJHEP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)C)c(S(C)(=O)=O)cc1C(=O)N=C(N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107802", "category": ["biolink:ChemicalEntity"], "name": "RIMEPORIDE", "xref": ["InChIKey:GROMEQPXDKRRIE-UHFFFAOYSA-N", "SMILES:Cc1cc(S(C)(=O)=O)c(S(C)(=O)=O)cc1C(=O)NC(=N)N"], "synonym": ["Rimeporide", "Rimeporida", "Rimeporide"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1256180", "category": ["biolink:ChemicalEntity"], "name": "5-(N-METHYL-N-ISOBUTYL)AMILORIDE", "xref": ["InChIKey:RVIUMPLAOXSSGN-UHFFFAOYSA-N", "SMILES:CC(C)CN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAEVBOLLVBCJDX-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)N=C(N)N)c(N)nc1N1CCCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQXDTPSECLJQKP-UHFFFAOYSA-N", "SMILES:NC(N)=NC(=O)c1ccc2c(Br)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQPTZNLNQRONOP-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C(C)(C)Oc2cc(C(=O)N=C(N)N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGNXWNRYNPTSAI-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)C(C)(C)Oc2ccc(C(=O)N=C(N)N)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNBPOSOUABYURO-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(Cc3ccc(C(=O)N=C(N)N)cc3NC(=O)c3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKBMYKOFRVDWAP-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(CCOc3ccc(C(=O)NC(=N)N)cc3NC(=O)c3sccc3C)CC2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1829117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWIXNITEVWRQP-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(CCOc3ccc(C(=O)NC(=N)N)cc3[N+](=O)[O-])CC2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARYXMGAJYRIOND-UHFFFAOYSA-N", "SMILES:CCCCCOc1ccc(C(=O)CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1C(=O)N=C(N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1184819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGKIDCRTLNUROQ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc2sc(C(=O)NC(=N)N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSSSWWECNCRJN-UHFFFAOYSA-N", "SMILES:Cc1nc2c(cc1C(=O)N=C(N)N)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPMYYFWNFHMGP-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N=C(N)N)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQDPOVZZWPHAQR-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1cc(C(=O)N=C(N)N)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXRZJUCBIRBKW-UHFFFAOYSA-N", "SMILES:NC(N)=NC(=O)c1cc2cccc3c2n1C(=O)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKOXJPLBLDXQNV-BDAKNGLRSA-N", "SMILES:N=C(N)NC(=O)[C@H]1C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL112146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMYOQMHIXYZRGA-SFYZADRCSA-N", "SMILES:N=C(N)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGSIUHDDPRQCQA-BDAKNGLRSA-N", "SMILES:N=C(N)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHTKZBXLGXRHGA-BDAKNGLRSA-N", "SMILES:N=C(N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNOFKCOXMGGKEF-BDAKNGLRSA-N", "SMILES:N=C(N)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL113620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFAKNPAXQPARQK-ZJUUUORDSA-N", "SMILES:CC1(C)[C@H](C(=O)N=C(N)N)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSKQEHDSFIRYHK-NEPJUHHUSA-N", "SMILES:CC1(C)[C@H](C(=O)N=C(N)N)[C@H]1c1cccc2c1CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL51950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHEXEGZWGZINIT-NEPJUHHUSA-N", "SMILES:Cc1[nH]c(N)nc1[C@@H]1[C@@H](c2cc(Cl)cc(Cl)c2)C1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTCJRDVCSWIYLA-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(Cc2nnc(N)[nH]2)c(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHSQFZAJAVLZKO-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c(=O)n(CC(=O)N=C(N)N)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGRLLQADDAJFDM-UHFFFAOYSA-N", "SMILES:COCCOc1cccc2c(C(=O)N=C(N)N)cc(-c3ccccc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2365382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPIGFMXNPDOLDK-UHFFFAOYSA-N", "SMILES:NC1CCC2(CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAERJJQGHJOXHR-UHFFFAOYSA-N", "SMILES:NC1CCC2(CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOSLFJGGGNEFE-UHFFFAOYSA-N", "SMILES:NC1CCC2(CCCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKSNCOWZMOMMH-UHFFFAOYSA-N", "SMILES:NC1CCCC2(CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPSCZXXCMGPBB-UHFFFAOYSA-N", "SMILES:NC1CCCC2(CCCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2078948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZKZVQBLDHKCY-UHFFFAOYSA-N", "SMILES:C1CCC2(CC1)CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWJUXLLYMXVCZ-UHFFFAOYSA-N", "SMILES:NCC1CCC2(CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPRBMYDHRWNYJD-UHFFFAOYSA-N", "SMILES:CC(N)C1CCC2(CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQLILFNXACYFU-UHFFFAOYSA-N", "SMILES:Cl.NC1CCC2(CC1)C1CC3CC(C1)CC2C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCJWCWWWJIRJPF-UHFFFAOYSA-N", "SMILES:N=C(N)NC1CCC2(CC1)C1CC3CC(C1)CC2C3.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQCWNEZSSPWDDM-UHFFFAOYSA-N", "SMILES:Cl.NC1CSC2(SC1)C1CC3CC(C1)CC2C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRJLXHNQKZAPJ-UHFFFAOYSA-N", "SMILES:Cl.NC1CCC2(CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HITXLQUWFZRJAZ-UHFFFAOYSA-N", "SMILES:Cl.NC1CC[Si]2(CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKWWYRMCMDCHNO-UHFFFAOYSA-N", "SMILES:Cl.NC1CCC2(CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2311602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVCIKNYSKXKPX-UHFFFAOYSA-N", "SMILES:Cl.NC1CC[Si]2(CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKJQPGPTKYUTHU-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(N)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXDEORVRZVCBR-UHFFFAOYSA-N", "SMILES:C[Si]1(C)CCC(N)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJDHHWATBGIHHG-UHFFFAOYSA-N", "SMILES:C[Si]1(C)CCC(CN)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTBSPFCBWNCQRH-UHFFFAOYSA-N", "SMILES:CC1(C)CCCNCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAXRMKBMFYIHJB-UHFFFAOYSA-N", "SMILES:C[Si]1(C)CCCNCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQJCVVQFCUCMR-UHFFFAOYSA-N", "SMILES:Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDVFHOGRTDGKIW-UHFFFAOYSA-N", "SMILES:Cc1cc(CNS(=O)(=O)c2ccc(Cl)cc2)c(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4518980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVREVYWQBJNOU-UHFFFAOYSA-N", "SMILES:Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AINCSWVIODRFIZ-UHFFFAOYSA-N", "SMILES:Cc1cc(CNS(=O)(=O)c2ccc(C#N)cc2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4586535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFLZBFKWOPZKEC-UHFFFAOYSA-N", "SMILES:Cc1cc(CNS(=O)(=O)c2ccc(Cl)cc2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYXJUVSSGSUVSE-UHFFFAOYSA-N", "SMILES:Cc1cc(CNS(=O)(=O)c2ccc(Br)cc2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHPUSVWJQPVIS-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCSBLWWQTQOFDF-OCEACIFDSA-N", "SMILES:COc1ccc2nc3cc(/N=N/c4ccc(N)nc4N)ccc3c(N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1337951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAZCKPKEMTQDI-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCCCC2)nc2ccc(Cc3ccc4nc(N5CCCCC5)cc(C)c4c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFSBSKVKGMPOU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1cccc(S(=O)(=O)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSJZQXCCYTHQT-GASCZTMLSA-N", "SMILES:C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)C=CS(=O)(=O)O4)c2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKIOUVLKRDSENR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1cccc(S(=O)(=O)N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILPPPVMWKQCAN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc1S(=O)(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPYPXVMPLKWEGQ-GASCZTMLSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJKYLZQWZXINPW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc1S(=O)(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVJMEGGLPSNYNG-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc1S(=O)(=O)N1CCSCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UISJWYVNPLGIRM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGJFVGOTDGJXPU-OKILXGFUSA-N", "SMILES:C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)C=CS(=O)(=O)O4)ccc2Cl)C[C@H](C)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBZSNVFKGCXXNY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFYYFXYXYYUMA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEJHCCREQHQMJ-OKILXGFUSA-N", "SMILES:C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)C=CS(=O)(=O)O4)ccc2F)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HATVZLVCIPCKFD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDVQFEJRPIKSRU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDUKTSGGKIBARA-IYBDPMFKSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOFFQIRWVFXSSU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc1S(=O)(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRZZCCIYSCVLJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc3c(c2)C=CS(=O)(=O)O3)cc1S(=O)(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWGYXMLOFWWVMV-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3cn(CCCCCCCCCCOc4ccc5ccc(=O)oc5c4)nn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXQRXNWHFCHDQT-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHVBKGLSGZVRJL-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUVQZUDRYTTZIF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYCUUOPVODXPC-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIDLZYVYQNZOK-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDXBEDWMFRHII-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGLFETKRYQIKOD-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSYSOLUHBGKCD-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJXKWTHRDQZHFM-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKJGMVPYQNQHMQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMSIAULATPTVQX-UHFFFAOYSA-N", "SMILES:Cc1ccc([N+](=O)[O-])c(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCUKBJWQNQOFY-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Br)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFHIFUSWBIGIAU-UHFFFAOYSA-N", "SMILES:O=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUKAPOFBRYTBEA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKGSFQYYLQQZOC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEEDUMPROBPDTE-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QICMLQOAMNMJIZ-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccccc2oc1=O)N1CCN(S(=O)(=O)c2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILONDPXOJGZBTH-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccccc2oc1=O)N1CCN(C(=S)Nc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGAUZBSWRWOQB-UDWIEESQSA-N", "SMILES:C/C(=N\\OCc1ccc(F)cc1)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOLEHKHIUVOIQ-UHFFFAOYSA-N", "SMILES:COC(=O)C(CCSC)NC(=O)CCNC(=O)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHXYYTYWXKKMFY-UHFFFAOYSA-N", "SMILES:COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOVKQMOKOHEBM-UHFFFAOYSA-N", "SMILES:CC1SC(N2N=C(c3cc4ccccc4oc3=O)CC2c2ccc(N(C)C)cc2)=NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5419378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIFNSSQEXIMQV-JEIPZWNWSA-N", "SMILES:Cc1nc(N2N=C(c3cc4ccccc4oc3=O)CC2c2ccc(N(C)C)cc2)sc1/N=N/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCLIOKJNPUXPS-YMZYAJTMSA-N", "SMILES:Cc1ccc(/N=N/c2sc(N3N=C(c4c(O)c5ccccc5oc4=O)CC3c3ccc(N(C)C)cc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4520209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCNGSASONHWJC-YMZYAJTMSA-N", "SMILES:CN(C)c1ccc(C2CC(c3cc4ccccc4oc3=O)=NN2c2nc(-c3ccccc3)c(/N=N/c3ccc(Cl)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULFOIIHWEYKPTD-ORVAUESNSA-N", "SMILES:CCCCCOc1ccc2oc(=O)cc(/C=N/N=c3\\scc(-c4ccccc4)n3[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVDGEBSLLMNFJ-YNDZYHOYSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)cs/c2=N\\N=C\\c2cc(=O)oc3ccc(OCC(C)C)cc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROCVMGQMCFWESV-LROWHWKPSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)cs/c2=N\\N=C\\c2cc(=O)oc3cc(OCCC(C)C)ccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCSULLSYUMTAPU-BCYQGVSMSA-N", "SMILES:CCOc1ccc2oc(=O)cc(C3SC(N(C(C)=O)[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)=NN3C(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCKTSVCAUOGJB-FAXVRMPLSA-N", "SMILES:CCCCOc1ccc2oc(=O)cc(C3SC(N(C(C)=O)[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)=NN3C(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBUPLFGNIRSTAA-SBGCJBKISA-N", "SMILES:CCCCCOc1ccc2oc(=O)cc(C3SC(N(C(C)=O)[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)=NN3C(C)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCZQZBBZZFKYMZ-SBGCJBKISA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](N(C(C)=O)C2=NN(C(C)=O)C(c3cc(=O)oc4ccc(OCCC(C)C)cc34)S2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVNHZWJNJZYCE-BCYQGVSMSA-N", "SMILES:CCOc1ccc2c(C3SC(N(C(C)=O)[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)=NN3C(C)=O)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMTQODNCOCBAEG-FAXVRMPLSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](N(C(C)=O)C2=NN(C(C)=O)C(c3cc(=O)oc4cc(OCC(C)C)ccc34)S2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPSJPPZPXIVVJV-SBGCJBKISA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](N(C(C)=O)C2=NN(C(C)=O)C(c3cc(=O)oc4cc(OCCC(C)C)ccc34)S2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRVGDMAHTZGJSX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(Oc2ccccc2OC)c(-c2ccc3oc(=O)cc(OC)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3394540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZASPZVGMLOXOQT-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NCc3ccccc3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWALTUUSDXQPPE-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NCc3cc(Cl)cc(Cl)c3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKAXMVMDWLVCKL-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NCc3cc(Br)cc(Br)c3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRPSNNUJFUPLBC-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NCc3cc(I)cc(I)c3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZPULDHRBNFNT-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(NCc3cc([N+](=O)[O-])ccc3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACEAAPMVQKIKSH-MNWGCEQFSA-N", "SMILES:COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@H]3O[C@H](COC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOUNHKKCIGVIDI-UHFFFAOYSA-L", "SMILES:O=C(Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCDGFRIWXLZQO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(O)cc(C(=O)O)cc2c1)Nc1ccc2c(O)cc(C(=O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHKMWZBVZGFBX-UHFFFAOYSA-N", "SMILES:Nc1cccc(S(=O)(=O)NCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNCWGPGRYAQFIE-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc(Nc2ncnc(Nc3ccc(C(=N)N)cc3)c2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHQXJYOLULPBBH-GLRZTSSQSA-N", "SMILES:CNCCN(C)Cc1c[nH]nc1[C@H]1CC[C@@]2(CC1)CC(C)(C)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDTAONRJOQPBHQ-UHFFFAOYSA-N", "SMILES:CC(C)CN(CC(=O)NCC(=O)N(CCCCN)CC(=O)NCC(=O)NCC(=O)N(C)CC(=O)N(CCCCN)CC(N)=O)C(=O)CNC(=O)CN(CCCCN)C(=O)CNC(=O)CNC(=O)CN(CCCCN)C(=O)CNC(=O)CN(CCCNC(=N)CCl)C(=O)CNC(=O)CNCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPSZGFUEIOHJS-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCO)CC(=O)NCC(=O)N(CCCNC(=N)CCl)CC(=O)NCC(=O)N(CCCCN)CC(=O)NCC(=O)NCC(=O)N(CCCCN)CC(=O)NCC(=O)N(CC(=O)NCC(=O)N(CCCCN)CC(=O)NCC(=O)NCC(=O)N(C)CC(=O)N(CCCCN)CC(N)=O)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGXCUZHEJUJACD-UHFFFAOYSA-N", "SMILES:O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKJQILGRICKGM-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCCCC1)Nc1ccc2nnsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWSJENCWNWHEW-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCc1ccc(-c2ccc3[nH]nc(CN(C)CCN)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHPBJYWHSEJRL-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OCc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHIMYOALGVLKHC-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1c[nH]nc1-c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRJNXZKQNLRQEY-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3897536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVNPRYWEKDHYRD-UHFFFAOYSA-N", "SMILES:CNCC(O)CN1CCC(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4461883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOIPDYXMOWADRA-FQEVSTJZSA-N", "SMILES:CNC[C@H](O)CN1CCc2c(cccc2OCc2ccc(-c3nccs3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLVTAUALHGTDV-NVRCGLLASA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCNC(=N)NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGSLPFVOTRJLSS-KPSUARNHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NCCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCTCHAGAGJGUEU-UHFFFAOYSA-N", "SMILES:Cn1cnc2ccc(-c3cccc(OCC(O)CN)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPPUUUMUDLYZRX-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2c(N3CCOCC3)cc(-c3cccc(OCC(O)CN)c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRSBGGFLPVXPH-HXUWFJFHSA-N", "SMILES:CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4cnc(N5CCC5)nc4C3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JACGAMFTHXTCBV-FMLXRRIPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H](CC[C@H](N)C(=O)O)CNCc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCCNYVTIWRPIZ-OAQYLSRUSA-N", "SMILES:CC(=O)N1CCC(Nc2cc(C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHYUTBVGYQEFQ-BJKOFHAPSA-N", "SMILES:CC(=O)N1CCC(Nc2cc3c(cn2)CCN(C[C@@H](O)[C@@H]2Cc4ccccc4CN2)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHYUTBVGYQEFQ-ZEQRLZLVSA-N", "SMILES:CC(=O)N1CCC(Nc2cc3c(cn2)CCN(C[C@H](O)[C@@H]2Cc4ccccc4CN2)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWYBTMWNJNVPU-LOSJGSFVSA-N", "SMILES:CC(=O)N1CCC(Nc2cc3c(cn2)C(C)(C)CN(C[C@@H](O)[C@@H]2Cc4ccccc4CN2)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNKCTZQHSHSLNN-RGQVTGSRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O/C(=C\\C(N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5567802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELIUVUFOGZUAF-XKDXWZMYSA-N", "SMILES:Nc1nc2ccc(C[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXJAFTDSDDKBNV-YDPGBSGYSA-N", "SMILES:CC(C)c1cc(O[C@H]2C[C@@H](n3ccc4cncnc43)[C@H](O)[C@@H]2O)c2c(c1F)CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJDIGKOOZLQGFB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(C)=O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMRXCFAOAFTGR-DYVMYPEFSA-N", "SMILES:Cc1cn([C@@H]2O[C@H](CSCCNCc3cccnc3C(C)(C)C)[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWYBTMWNJNVPU-DQEYMECFSA-N", "SMILES:CC(=O)N1CCC(Nc2cc3c(cn2)C(C)(C)CN(C[C@H](O)[C@@H]2Cc4ccccc4CN2)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRXXAJNPAFQONC-QAOSGDJLSA-N", "SMILES:O=C1/C(=C/c2ccccc2Br)CN(C(=O)Cc2ccccc2)C/C1=C\\c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXPMRVSCYFDQSE-WPHIWBHXSA-N", "SMILES:O=C1/C(=C/c2ccccc2Br)CN(C(=O)CCc2ccccc2)C/C1=C\\c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLMRMYVIIGZJSM-UHFFFAOYSA-N", "SMILES:OC(COc1cccc(CNC2CCCC2)c1)CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCOMEZZFZJDKRL-JNNLDFGZSA-N", "SMILES:CCOc1cnc(CC2CCN(C(C)=O)CC2)cc1C(=O)NC[C@@H](O)[C@@H]1CC2CCCCC2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTEDSWUOMAOJMZ-ZHAWHOEGSA-N", "SMILES:CC(=O)N1CCC(Oc2nccc(C(=O)NC[C@@H](O)[C@@H]3CC4CCCCC4CN3)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUILVENRLKOEQO-IBGZPJMESA-N", "SMILES:CC(=O)N1CCC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4c([nH]c5ccccc45)C3)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSIYPAHHMJMQFK-UHFFFAOYSA-N", "SMILES:OC(CNCc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4245087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPJMOVVQKBFRNH-UHFFFAOYSA-N", "SMILES:CCn1c2ccccc2c2cc(CNCc3ccccn3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL313316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANUWWIQYOYPMTQ-VIZOYTHASA-N", "SMILES:NC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL538693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUSRAALGPJJIRO-QYVSTXNMSA-N", "SMILES:NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5562211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTVPSHLOQHDPQV-HUBRGWSESA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCc2ccc(-c3ccccc3)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOBXZFNRPCKUOV-VBHAUSMQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCNCc2ccc(-c3ccc(Cl)cc3)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZJZIPRMYPVNNO-MSUKGTQXSA-N", "SMILES:CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(CCCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)Cc2ccc(-c3ccc(Cl)cc3)cc2)=C(C)C1=O"]}
{"name": "Protein arginine N-methyltransferase 7", "xref": ["CHEMBL.TARGET:CHEMBL6067583"], "id": "UniProtKB:Q922X9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXXFAHCKZLFMDX-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(Nc3nc(-c4ccc5c(c4)OCO5)ncc3F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSQKXEIJUKETKV-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(Nc3nc(-c4ccc5c(c4)OCCO5)ncc3F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVPRTQNSZPAAGB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ncc(F)c(Nc3ccc4cc(C)cc(N)c4c3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTCOZMMJSYVAM-UHFFFAOYSA-N", "SMILES:Cc1cc(N)c2cc(Nc3nc(-c4cc5ccccc5o4)ncc3F)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOSTZYMLOPBGQI-NKWVEPMBSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H](C=O)O[C@@H](C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNOBOKJVOTYSJV-KQYNXXCUSA-N", "SMILES:CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1783609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPJKUMKCZVVRO-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQXMNXTSCMWNH-UHFFFAOYSA-N", "SMILES:COc1cccc2c(N3CCC(CCP(=O)(O)O)CC3)c(C#N)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXXUGBPAQOKGTM-UHFFFAOYSA-N", "SMILES:COc1cccc2c(N3CCC(CCP(=O)(O)O)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQXQPTPZYXFOQV-OTOKDRCRSA-N", "SMILES:COc1cccc2c(N3CCC(CC(CNC(=O)[C@@H](N)C(C)(C)C)P(=O)(O)O)CC3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLWMWQNJTVWKD-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(N3CCC(CCP(=O)(O)O)CC3)c2cc1OC"]}
{"name": "Ectonucleotide pyrophosphatase/phosphodiesterase family member 1", "xref": ["CHEMBL.TARGET:CHEMBL6067589"], "id": "UniProtKB:P06802", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJMJWBBMJGOQSY-UHFFFAOYSA-N", "SMILES:Nc1ccc(F)c(-c2ccnc3c2CCC(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOEWUVMIMVYZQH-UHFFFAOYSA-N", "SMILES:COc1cc2c(-c3ccc(CNS(N)(=O)=O)c(F)c3)n[nH]c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKGCDGFCIHWJGV-UHFFFAOYSA-N", "SMILES:CC1(CNS(N)(=O)=O)CCN(c2ncnc3[nH]ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPWUQGIOWRYQM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)nnn2-c1ccc(CNS(N)(=O)=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTFWMDUGAOHIZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Oc3ccc(CC(=O)NO)cc3)ccnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVVXUEWKONNCCZ-UHFFFAOYSA-N", "SMILES:COc1cc2ncc3ncn(Cc4ccc(CS(N)(=O)=O)cn4)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMXFFBTDVKVJH-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C)c3nc(C)n(Cc4ccc(S(N)(=O)=O)cn4)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYIOPVHBQBUQQ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)ccc2n1Cc1ccc(P(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZPWTJSCIFZSKH-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1Cc1ccc(P(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNXOJOHCJXXMO-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1Cc1ccc(OP(=O)(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQDSRIWHMNHVPX-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(ncn2Cc2ccc(B(O)O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGAFGVQPPVPJRT-UHFFFAOYSA-N", "SMILES:NC(=O)c1c[nH]c2c(NCc3ccc(B(O)O)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPGWZMLXIPJJY-UHFFFAOYSA-N", "SMILES:NC(=O)c1c[nH]c2c(NCc3ccc(P(=O)(O)O)cc3)ncnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCVNNQVRCMJOFQ-UHFFFAOYSA-N", "SMILES:COc1ncc2nc(C(F)(F)F)n(Cc3ncc(S(N)(=O)=O)cc3F)c2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVETUBMXROTTHZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc(C(N)=O)c[nH]2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYELJRSRWFEMJE-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc(C(=O)OCC(O)CO)c[nH]2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KENLTUNFZZPFFS-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc(C(=O)O)c[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRGZBJAQDGISRV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZGYTCJOWJTOAB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc3c(C)c(C#N)ncc3[nH]2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSCDWLWFLRMICV-UHFFFAOYSA-N", "SMILES:Nc1nc(SCC(=O)Nc2ccccc2)c2[nH]cnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLZTYBPLNUJQD-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)CSc2nc(N)nc3nc[nH]c23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCMJGUVFRHQEH-UHFFFAOYSA-N", "SMILES:CCC(Sc1nc(N)nc2nc[nH]c12)C(=O)Nc1ccc(O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEDTVAOXUVYMB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SCc3nc4cc(F)ccc4c(=O)[nH]3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZKNMQOHNVSQK-LJQANCHMSA-N", "SMILES:OC[C@H](O)CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKUOYRYBUEQHE-UHFFFAOYSA-N", "SMILES:O=C(CCO)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHHOANORHXVRA-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBYXIJVNATMHB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cn(CCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5554991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQWCKCPFYQNIDU-UHFFFAOYSA-N", "SMILES:COC(=O)C(C)(C)c1cnnn1CCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTPKAXJLQELNB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAFJSZWOFMCOHG-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccc(CCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUHNZKBKNWVLG-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAUVYKYAXVVDQV-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccc(CCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYYQLUAUZGYADZ-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccccc1CCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYVCPRNKSUKZPA-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1cccc(CCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQBOYIWIVMIHGS-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1cccc(CC(O)CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYWUGOJRWNXSRG-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)O)c1ccc(CCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1361969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZMFDYQMVVPBDW-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1567342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKSYXUAEBWBHOR-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1606717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPVQNKHOVSEOTA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNHTTZWPBXACSA-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCOc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NECCVFMLXAOCSZ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCOc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEUZGQNTDMYNJZ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCOc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIBUXWLGVKLYOX-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCOc1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIWLTNQTQCAFF-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCOc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVQBYRFAUILJW-UHFFFAOYSA-N", "SMILES:COc1ccc(OCCn2cnc3c(N)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRRBKKNBIYMJF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNPCMHFWLKAUJY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTOVJHRLMDIGQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRIVDDNJQWMIRP-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCOc1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKYDSBGVHKVKLG-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2CCOc1ccc(Br)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZWSHAQVPTYVSN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOZHABSMAWQUDF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPZSQLBUVZIEX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCCn2c(O)nc3c(N)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFKEPWMEQBLKI-FCKMPRQPSA-N", "SMILES:C[S@@+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL118319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNEPAAKJPPNOQM-UHFFFAOYSA-N", "SMILES:CC1=C2CCc3cc(C)ccc3N2CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGUKGCMIQALCV-UHFFFAOYSA-N", "SMILES:CC1=C2CCc3cc(Cl)ccc3N2CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL116999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONZNEFRNIRNYNO-UHFFFAOYSA-N", "SMILES:CC1=C2CCc3cc(Br)ccc3N2CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCJOFTDYXWOYHL-UHFFFAOYSA-N", "SMILES:CC1=C2CCc3cc(C#Cc4ccccc4)ccc3N2CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL119164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVWUNVDFXKYFK-BQYQJAHWSA-N", "SMILES:CC1=C2CCc3cc(/C=C/c4ccccc4)ccc3N2CCC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQPPALUSRVBEY-WCWDXBQESA-N", "SMILES:CC/C(=C\\C(=O)Nc1ccccc1OCCCC(=O)O)c1ccc2c(ccn2C(c2ccc(F)cc2)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXHYRAFMPCPIQ-CQSZACIVSA-N", "SMILES:COc1ccc2ncnc(N[C@H](C)c3cccc4ccccc34)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEGLOYDTDILXDA-UHFFFAOYSA-N", "SMILES:CNCc1ccccc1-c1csc(C(C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSGHKPVESIEVSW-FHQWGVRCSA-N", "SMILES:COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](C)(O)C(O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQDGDLXZKERNI-SQJQKMGPSA-N", "SMILES:COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](C)(O)C(O)[C@@H]3O[C@@H]1OC[C@H](O)[C@@H](OC)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4160484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHKBYHDRXLQLW-QFIPXVFZSA-N", "SMILES:N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)NC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTHTZBDFQBOXDD-XWEVFREBSA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC2CN(Cc3c[nH]c4ccc(Cl)cc34)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYAAFJHDSVRBY-KXXGJQBSSA-N", "SMILES:N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N1CC2CN(Cc3c[nH]c4ccc(Cl)cc34)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOODOGXFXISNRQ-VWLOTQADSA-N", "SMILES:Cc1ccc2c([C@H](N)C(=O)N3CCC4(CC3)CCN4Cc3c[nH]c4ccc(Cl)cc34)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVOSDXLXLLBNR-DEOSSOPVSA-N", "SMILES:N[C@H](C(=O)N1CCC2(CC1)CCN2Cc1c[nH]c2ccc(Cl)cc12)c1c[nH]c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZSQQJDGFVKQSY-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVRMFMGFUZUTJ-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2c3c(cc4ccc(Cl)cc24)CCCC3)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1624889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXOFDRFYSDHQTI-UHFFFAOYSA-N", "SMILES:Fc1ccc(CN2C3=NCCCN3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1740406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYNAAWDMPCHOX-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1C)N(Cc1ccccc1)C1=NCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKACBCFXETVIIK-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2c(N3CCNCC3)nc3ccc(Cl)cc32)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIVGJXWLUBOSN-DVWBVOSBSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPBQMYNDBNHVCY-MVTUMKILSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](c2ccc(NC(=N)N)cc2)NC(=O)[C@@H](N)CCCCNC(=O)C[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGARJOPRKWKOPZ-ALGQTNTJSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](N)CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZUBLPQYLGPNED-ZHLONBCLSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](c2ccc(NC(=N)N)cc2)NC(=O)[C@@H](N)CCCCn2cc(nn2)C[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMJYRLPTGLWNHJ-OVAJHFIJSA-N", "SMILES:BP(=O)(OP(=O)(O)CP(=O)(O)OCC1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1O)OP(=O)(O)CP(=O)(O)OC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFMMINHJVICPU-ISLYRVAYSA-N", "SMILES:Cc1nc(/N=N/c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(COP(=O)(O)O)c(C=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4591260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBFRIXXCQULMV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Oc1ccc(-c2ccc3sccc3c2)cc1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKAGVGARROSJS-UHFFFAOYSA-N", "SMILES:CCCc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDSZWFATPFKMHJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(OS(=O)(=O)c2ccc(-c3cccc4cccnc34)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNDXVACOIOUZJS-MUFRIFMGSA-N", "SMILES:COc1cccc(/C(C)=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDCVBJRBYMGIG-WKULSOCRSA-N", "SMILES:C/C(=N\\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1nc2ccccc2[nH]1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDSCOCEYOZLJD-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3360884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKPKDBIGIDNQJ-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTOLWSMKGHKDP-UHFFFAOYSA-N", "SMILES:COc1cc2cc(-n3cc(C)c4ccccc43)n3c4ccccc4c(C)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVTZYAKNAGGSM-UHFFFAOYSA-N", "SMILES:COc1cc2ncc3[nH]c(=O)n(Cc4ccc(P(=O)(O)O)cc4)c3c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIDDAAZQMNRNM-QGZVFWFLSA-N", "SMILES:NC[C@@H](C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYPQUQARPVLCEI-SANMLTNESA-N", "SMILES:CC(C)[C@H](NC(=O)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4170480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHKPYJZGLRMEQ-SJORKVTESA-N", "SMILES:N[C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH]nc(Nc4cccc5ccccc45)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFMBFABCSHXPM-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc2c(OC(C)C)cc(OC(C)C)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL410072", "category": ["biolink:ChemicalEntity"], "name": "GW301784X", "xref": ["InChIKey:ZOVGOJSKGVLAJH-UHFFFAOYSA-N", "SMILES:CC(C)(CO)CNC(=O)c1ccc2c(c1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3421914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOZPVMOOEJAZGK-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccc5c(c4)CC(=O)N5)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4559959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIJZOWOWLGRSG-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-c1cccc(-c2cnc3ccnn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RECOZDBMZMGNDN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3cc(C(=O)Nc4ccccc4C(F)(F)F)ccc3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIKAKBQRFDDSW-UHFFFAOYSA-N", "SMILES:Cc1c(-c2c3c(N)n[nH]c(=O)c3nn2-c2ccc(C(N)=O)cc2)oc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMWYLHGVNQWMLO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)c(COc2ccccc2)c1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJVKNGJAMKLDB-UCQKPKSFSA-N", "SMILES:CCc1cccc2c(/C=C3\\NC(=S)N(c4ccc(C)c(C)c4)C3=O)cn(CC(=O)NCCOC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXIQSHSRUREBOZ-UHFFFAOYSA-N", "SMILES:O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)C1=O)NCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLORIUQAGCRNIE-UHFFFAOYSA-N", "SMILES:O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc4[nH]ncc4n3)CC2)C1=O)NCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPXRXGYRGBQLGS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)noc2c1C#Cc1cn2ncccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4175086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQOYBUCRLZDLBE-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFKFMRKJGPZRSA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C2CC2)c(-c2ccc3nc(Nc4cnn(C5CC5)c4)ncc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAFNNGRPRPLHDW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGQBBNHOYYDXLQ-NRFANRHFSA-N", "SMILES:Cc1cccc(C(=O)N[C@@H](C)c2ccc(C3CC3)c(-c3ccc4nc(Nc5cnn(C6CC6)c5)ncc4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVMSVIJGLODSFN-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CCN(C(=O)OCCN4CCOCC4)CC3)ncn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGRKHOVJIGNLE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTHAPXREPLOPK-UHFFFAOYSA-N", "SMILES:O=S1(=O)Oc2c(ccc(O)c2O)-c2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMDSSFARMYUJK-UHFFFAOYSA-N", "SMILES:O=S1(=O)Oc2c(ccc(O)c2O)-c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGRFGZXLVFYCPL-UHFFFAOYSA-N", "SMILES:O=S1(=O)Nc2c(ccc(O)c2O)-c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMPWDKDKJWKUKQ-UHFFFAOYSA-N", "SMILES:O=S1(=O)c2cc(O)c(O)cc2-c2ccc(O)c(O)c2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTYFBOMYPQBMGO-UHFFFAOYSA-N", "SMILES:O=S1(=O)Oc2ccc(O)c(O)c2-c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNLXBGPWJVTBT-UHFFFAOYSA-N", "SMILES:O=S1(=O)Nc2ccc(O)c(O)c2-c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHMPGZHWCYIGNC-UHFFFAOYSA-N", "SMILES:O=S1(=O)c2cc(O)c(O)cc2-c2c(ccc(O)c2O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWGKBZLZGNQEIC-UHFFFAOYSA-N", "SMILES:O=S1(=O)Oc2cc(O)c(O)cc2-c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTDHEZFURQKXBU-UHFFFAOYSA-N", "SMILES:O=S1(=O)Nc2cc(O)c(O)cc2-c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJDYMRODHAMDI-UHFFFAOYSA-N", "SMILES:O=S1(=O)c2cc(O)c(O)cc2-c2cc(O)c(O)cc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYYTBONSDACKR-UHFFFAOYSA-N", "SMILES:O=S1(=O)Oc2cc(O)cc(O)c2-c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYGBNBFTIGFOMT-UHFFFAOYSA-N", "SMILES:O=S1(=O)Oc2cc(O)c(O)c(O)c2-c2cc(O)c(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZKEWXEGWAQIG-UHFFFAOYSA-N", "SMILES:O=S1(=O)c2cc(O)c(O)cc2-c2c(cc(O)c(O)c2O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4754666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHXMEXZVPJFAIJ-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2c2cc(O)c(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5566169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBGFVJHEMERON-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3nccn3n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAMVLAMKNUHHCR-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3nccn3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQHYFOYCBUOKDP-UHFFFAOYSA-N", "SMILES:c1cc(-c2cnc3nccn3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWLXNVETHMCRY-UHFFFAOYSA-N", "SMILES:Cc1cn2nc(-c3ccncc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYSJFNLHDOSON-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(-c2cnc3ccc(-c4ccccc4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRBOTFUGDIARQM-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTGBMRWZCKXWIF-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(-c2cnc3ccc(-c4ccc5c(c4)OCO5)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPSOTJKCUSZQC-UHFFFAOYSA-N", "SMILES:COCc1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLNXZAXYACLGRQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFBZOJORTROAIE-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(-c2cnc3ccc(-c4ccncc4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBDMHLGFRWIBD-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(-c2cnc3ccc(-c4cccnc4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSXBHSIBLKRFNE-UHFFFAOYSA-N", "SMILES:Cc1cnccc1-c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHGDJUDCZYLCOA-UHFFFAOYSA-N", "SMILES:COc1cnccc1-c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPHBUJPYVMMZOJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZMIPRQBQMDKKF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTDBJMNEORLEOV-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(-c2cnc3cccnn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWMQNECOKKEHFP-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(-c2cnc3ccc(C4=CCOCC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMOXCRDYPAMJL-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(-c2cnc3ccc(C4CCOCC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UANOEDWNXRWHGH-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(-c2cnc3ccc(N4CCOCC4)nn23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBJITYTHJUASF-UHFFFAOYSA-N", "SMILES:C1=C(c2cnc3ccc(-c4ccncc4)nn23)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODWYWUPVMOZMH-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3ncc(C4CCOCC4)n3n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSMNHYFBBOMUFX-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3ccncc3)nn2c1-c1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULRWOULVLLAMPQ-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3ccncc3)nn2c1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHDPCNXGYFMFR-UUASQNMZSA-N", "SMILES:COc1ccc2sc(SC(=O)N/N=C\\c3csc([N+](=O)[O-])c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YESQHVRUOSRGNT-NCELDCMTSA-N", "SMILES:O=C(N/N=C(\\c1ccccc1)c1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCMGZLONJKZAJC-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVXUOUNGNGKFS-UHFFFAOYSA-N", "SMILES:COc1cc(CNC(=O)c2nc3ccc(O)cc3s2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBLNPYQMOLSPD-UHFFFAOYSA-N", "SMILES:O=C(NCC#Cc1ccccc1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHMMHQOQFVRTHU-UHFFFAOYSA-N", "SMILES:O=C(NCCc1cc2ccccc2[nH]1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMFDRQZGRUOYMP-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C(=O)NC3CCCCC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVVDFBVVLHQMCT-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(O)cc2s1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYDVCNWIXLSEE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1F)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXHVVLGOJOGEAW-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(F)c1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTHDXBQJQNFJNA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1Cl)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXCRPXQOLBNECK-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(Cl)c1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYPWJBHEDQEEZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(Cl)cc1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSCALPIAXGAPTH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc([N+](=O)[O-])cc1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVFBSDQWEWMPHO-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(F)c1F)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BETJPKPBJRQCKE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(F)c1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVMWQKKHNDOGY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1F)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIPZTRNIUXJAFZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJOLVZMEIVSTGU-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDPMCBGHHJAOEY-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2nc3ccc(O)cc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGDLNSZMGSKYHF-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLCRMORTIUBMKO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNC(=O)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHWGBSKAKUYTSL-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)c2nc3ccc(O)cc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDXUSRDNFDAHL-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZBODGYBUEQLI-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2nc3ccc(O)cc3s2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKBKXEPBYNDCIR-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXPOLJDAIUXGT-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRYUHPCMIXYNIQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(CNC(=O)c2nc3ccc(O)cc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSJFGCXKDVUIT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFRKXAUCUGUTO-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRWMSKXVWILHTL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLOOEFHPKVSAOF-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccs1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOPYCOCDNNXKKV-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHPSIYEMKBZIA-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHOTZPRBIAOIH-UHFFFAOYSA-N", "SMILES:O=C(NCC(c1ccccc1)c1ccccc1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXCWPTNAFRRAHB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(-c2ccccc2)cc1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSAKSPOUYMQTN-UHFFFAOYSA-N", "SMILES:O=C(c1nc2ccc(O)cc2s1)N1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYYYETKSMJAASF-UHFFFAOYSA-N", "SMILES:O=C(c1nc2ccc(O)cc2s1)N1Cc2ccc(Cl)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WESQYMSPFDKEOK-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAFGLKHWLQCHCA-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCC1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRAFDFYELGOMCN-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPGFKFKSFWWDOL-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCCC1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASHKDBUQXMROV-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHHQWZVRGKKQG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZOIDQHBCVJTPH-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRQAWHFBOKHFZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccn2Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCKMOFBWFOOIM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2ccccc2)c1)c1cccn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVOOVVYKXMMPBE-UHFFFAOYSA-N", "SMILES:CC(=O)OCCCCn1cccc1C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXFFYUHCHSZSQA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cccn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZAYRALGHBBCCI-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cl)c1cccn1CC12CC3CC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSYTQHDFDFNQJ-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1cccc(Cn2cccc2C(=O)c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5548838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWZIKIJMIGGNO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ccccc12)c1cccn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYCTYVZOVFRZQR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CO)c1)c1cccn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNYVNZECJJLDV-UHFFFAOYSA-N", "SMILES:O=C(NC12CC3CC(CC(C3)C1)C2)c1cccn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFXNRCXGLKLIP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)c1cccn1Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJNXKSTZFMVPX-KAKIVWEBSA-N", "SMILES:C=CCOC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OESLNNAWBJAPKY-WSQJATAQSA-N", "SMILES:C=CCOC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIOVMAVLGZUHOI-NAPDAEGMSA-N", "SMILES:C=CCOC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCRYLPSBKXNDLC-QGTQIDPLSA-N", "SMILES:C=CCOC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMRCOHPLCLHPCZ-IBXNHAGDSA-N", "SMILES:C=CCOC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C1CCCC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNUWKAEEXQYRD-XQPQXSAKSA-N", "SMILES:C=CCOC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(C)=O)C1CCCC1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAQKRJLEBNRXNE-WRCOCQGJSA-N", "SMILES:C=CCOC(=O)CC[C@H](NC(=O)[C@H](CO)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELRUFWHZBNUMC-AYUOAOKLSA-N", "SMILES:C=CCOC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)[C@@H](C)O)C(C)(C)C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUGIAGAYPCCRIK-KAKIVWEBSA-N", "SMILES:C=CCOC(=O)CC[C@H](NC(=O)[C@H](Cc1nnn[nH]1)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHWJJUQVQLEWQZ-UPRMXWNBSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNIHWBIJFIQSQZ-MFFXJGOBSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O)[C@@H](C)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQOPWNUKHLXCDC-HPQLBRKRSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)C1CCCC1)[C@@H](C)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMMMQXVWVOTAQF-ALRPLASOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)[C@@H](C)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5548853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATFSHRCFTWALEY-FMIVXFBMSA-N", "SMILES:O=C(CCCN1C(=O)C/C(=C\\c2ccccc2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFIVRUCYCAABRJ-JLHYYAGUSA-N", "SMILES:O=C(CCCCN1C(=O)C/C(=C\\c2ccccc2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZJVULBGFNRLY-SDNWHVSQSA-N", "SMILES:O=C(CCCCCN1C(=O)C/C(=C\\c2ccccc2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFRWYPXGQTKKY-NTCAYCPXSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2ccccc2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKXZLNQXTYYDCI-DTQAZKPQSA-N", "SMILES:O=C(CCCCCCCN1C(=O)C/C(=C\\c2ccccc2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPJDDUDXKSJEBC-MHWRWJLKSA-N", "SMILES:O=C(NO)c1ccc(CN2C(=O)C/C(=C\\c3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSVOKZBTNQEFMV-RVDMUPIBSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)CCCN1C(=O)C/C(=C\\c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAQCOWVLBCWRX-FOWTUZBSSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)CCCCN1C(=O)C/C(=C\\c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVFGZVDPOQAIEH-GHRIWEEISA-N", "SMILES:Nc1cc(F)ccc1NC(=O)CCCCCN1C(=O)C/C(=C\\c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZDGNSLKFDQOKZ-NBVRZTHBSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)CCCCCCN1C(=O)C/C(=C\\c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHSXSJACURIAJ-QGOAFFKASA-N", "SMILES:CC(C)c1ccc(/C=C2\\CC(=O)N(CCCCCCC(=O)NO)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQPLGBGTFISBSA-DTQAZKPQSA-N", "SMILES:CN(C)c1ccc(/C=C2\\CC(=O)N(CCCCCCC(=O)NO)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWVYOOGEJQIBOP-SDNWHVSQSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2ccc(C(F)(F)F)cc2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBZUWHZKVVZPHX-FOWTUZBSSA-N", "SMILES:Cc1ccc(/C=C2\\CC(=O)N(CCCCCCC(=O)NO)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUUMXMNKHHTLBZ-FOWTUZBSSA-N", "SMILES:Cc1ccccc1/C=C1\\CC(=O)N(CCCCCCC(=O)NO)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALTHDBDXVKUOLS-LFIBNONCSA-N", "SMILES:N#Cc1ccccc1/C=C1\\CC(=O)N(CCCCCCC(=O)NO)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVQDIBSOXHIPS-ZRDIBKRKSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2cccs2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOZPGNPVVHLMMZ-SDNWHVSQSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2ccccc2Cl)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHJFCSWCOJMME-GXDHUFHOSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2cccc(Cl)c2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORBBDXVHXXSJP-SDNWHVSQSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2ccc(Cl)cc2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKFUSWGIJYOQOH-GXDHUFHOSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2cccc(Br)c2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHMBAWJZOHTFF-GXDHUFHOSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2cccc(F)c2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXJHSGLFCPRREA-GXDHUFHOSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2cccc(I)c2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGRNLWVQNPZYQI-UKTHLTGXSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2ccc(Cl)c(Cl)c2)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKDRFIQFIEUQU-NTCAYCPXSA-N", "SMILES:COc1ccc(/C=C2\\CC(=O)N(CCCCCCC(=O)NO)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJEFVLVPFYENFG-RVDMUPIBSA-N", "SMILES:COc1cccc(/C=C2\\CC(=O)N(CCCCCCC(=O)NO)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKCQAJYTZWXNQB-NTCAYCPXSA-N", "SMILES:COc1ccccc1/C=C1\\CC(=O)N(CCCCCCC(=O)NO)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQDOLCKZWDEIDI-RVDMUPIBSA-N", "SMILES:COc1ccc(/C=C2\\CC(=O)N(CCCCCCC(=O)NO)C2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUJAMDVWCYHFQS-XNTDXEJSSA-N", "SMILES:COc1cc(/C=C2\\CC(=O)N(CCCCCCC(=O)NO)C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGXTWWOXDVLLDE-SDNWHVSQSA-N", "SMILES:O=C(CCCCCCN1C(=O)C/C(=C\\c2ccccc2O)C1=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPCRZBAAWZWPO-DTQAZKPQSA-N", "SMILES:CCOc1ccccc1/C=C1\\CC(=O)N(CCCCCCC(=O)NO)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYBRICTUJHDRKX-GXDHUFHOSA-N", "SMILES:COc1ccc(Br)cc1/C=C1\\CC(=O)N(CCCCCCC(=O)NO)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBNGOQQNPQLQFD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2[nH]c3c(c2CC#N)c(=O)oc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTFVDUTCUCYIF-UVHMKAGCSA-N", "SMILES:O=C1Nc2ccccc2/C1=N/N=C/c1ccc(OCc2cn(Cc3ccccc3F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCSIECUDYIABLW-MFKUBSTISA-N", "SMILES:O=C(N/N=C/c1ccccc1)c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5430942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDQZPTZOMQPSA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1cn(CC(=O)Nc2cnc(-c3ccccc3)s2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL389656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZDMJSZEMDIMC-UHFFFAOYSA-N", "SMILES:Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14474", "category": ["biolink:ChemicalEntity"], "name": "QUINOLINE", "xref": ["InChIKey:SMWDFEZZVXVKRB-UHFFFAOYSA-N", "SMILES:c1ccc2ncccc2c1"], "synonym": ["1-Benzazine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1160559", "category": ["biolink:ChemicalEntity"], "name": "QUINALDIC ACID", "xref": ["InChIKey:LOAUVZALPPNFOQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2ccccc2n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5566368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDYHILZCQWIZCB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(SCC(=O)Nc2ccccc2)nnc(-c2ccccc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPHIGZQKQVXNN-UHFFFAOYSA-N", "SMILES:Cl.O=C(CN1CCCCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXPMRVWFZSOOAD-UHFFFAOYSA-N", "SMILES:Cl.O=C(CN1CCC(Cc2ccccc2)CC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDKKQJIZYUQXMT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CC(=O)NCC2(Cc3cccc4ccccc34)CCN(Cc3ccccc3)CC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBUNXJOALYPHGC-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)NCC2(Cc3cccc4ccccc34)CCN(Cc3ccccc3)CC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXOOAEUYFIWKTF-UHFFFAOYSA-N", "SMILES:Cl.O=C(CN1CCCCC1)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQBLHGZROHWTLF-UHFFFAOYSA-N", "SMILES:Cl.O=C(CN1CCC(Cc2ccccc2)CC1)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVINQMHNGSBZEU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CC(=O)NCC2(Nc3cccc4ccccc34)CCN(Cc3ccccc3)CC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPZIEIYKRYWKBJ-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)NCC2(Nc3cccc4ccccc34)CCN(Cc3ccccc3)CC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJXFDMFXQLTAAE-UHFFFAOYSA-N", "SMILES:Cl.O=C(CN1CCCCC1)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SITYBHHGTGRBFD-UHFFFAOYSA-N", "SMILES:Cl.O=C(CN1CCC(Cc2ccccc2)CC1)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYAOOAAYPPFEQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CC(=O)NCC2(Cc3ccccc3)CCN(Cc3ccccc3)CC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIIDCEXTVBVQPC-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)NCC2(Cc3ccccc3)CCN(Cc3ccccc3)CC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMHLNNKJSFCGOC-UHFFFAOYSA-N", "SMILES:Cl.O=C(CN1CCCCC1)NCC1(Cc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLNKYRIEGUKWNR-UHFFFAOYSA-N", "SMILES:Cl.O=C(CN1CCC(Cc2ccccc2)CC1)NCC1(Cc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDTCBCIATCUMDH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(CC(=O)NCC2(Cc3ccc(Cl)c(Cl)c3)CCN(Cc3ccccc3)CC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTSPRULTNAGHAM-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)NCC2(Cc3ccc(Cl)c(Cl)c3)CCN(Cc3ccccc3)CC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQNKOKBFQFSRK-UHFFFAOYSA-N", "SMILES:Cl.O=C(CN1CCOCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYYHHBJDFTYKT-UHFFFAOYSA-N", "SMILES:Cl.Cl.Cl.O=C(CN1CCNCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQRIQPZOFLATGW-UHFFFAOYSA-N", "SMILES:CC1CCN(CC(=O)NCC2(Cc3cccc4ccccc34)CCN(Cc3ccccc3)CC2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVSLKJXUTJMMAU-UHFFFAOYSA-N", "SMILES:Cl.O=C(CN1CCCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOIDFGUEVKUZBC-UHFFFAOYSA-N", "SMILES:Cl.O=C(CCN1CCCCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICVFNZHTHCYWPU-UHFFFAOYSA-N", "SMILES:Cl.N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMTVWTOKAKWTCE-DEOSSOPVSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYRZNLFABAPTEG-BHVANESWSA-N", "SMILES:O=C(N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)NCCc1ccccc1)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCKXYLRNGLTRY-LJAQVGFWSA-N", "SMILES:CN1CCN(CCC[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)NCCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQOESPKSKYGFN-PMERELPUSA-N", "SMILES:CC(=O)N1CCN(CCC[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)NCCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFFONGZFFVFJV-SRWPCTQNSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3814423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPVVONUJDZMFFK-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3[nH]ncc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWKFHHVRTREQTG-UHFFFAOYSA-N", "SMILES:CNCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXFIYDKEQHUSTJ-UHFFFAOYSA-N", "SMILES:CNCCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPGNGNROLOCUJV-UHFFFAOYSA-N", "SMILES:CCNCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYUFOFSZRNFLH-UHFFFAOYSA-N", "SMILES:CCNCCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVAXHUMFHRGPHK-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVUYZFTVTGHKMY-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNNODKMXLZAMN-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFCGWYOWBZJAA-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDWSUUPEXWLQLG-UHFFFAOYSA-N", "SMILES:CCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMJJPMJIMCEOCX-UHFFFAOYSA-N", "SMILES:CCCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBJROMQSSOPHK-UHFFFAOYSA-N", "SMILES:OCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLCIGXXFQWPULN-UHFFFAOYSA-N", "SMILES:OCCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXRIWILFSLMEJC-UHFFFAOYSA-N", "SMILES:ON=CCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGKMKCXDIDNSAS-UHFFFAOYSA-N", "SMILES:CNCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWLVEJYZSWVGFB-UHFFFAOYSA-N", "SMILES:CNCCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKTGCXSWCXOQJM-UHFFFAOYSA-N", "SMILES:CCNCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZSGEWQCACFHC-UHFFFAOYSA-N", "SMILES:CCNCCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GARBCJDVUPJWOV-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNFXVABPAXQGNW-UHFFFAOYSA-N", "SMILES:CN(C)CCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNUENXWANKDDC-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIESZGAXXJZBPH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCJUSTMADLJCJB-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACVFRYNYJPYOJP-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJNQVCNZLQKDRH-UHFFFAOYSA-N", "SMILES:CCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYFMWWFENSAGT-UHFFFAOYSA-N", "SMILES:CCCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCPYPFETNIKSX-UHFFFAOYSA-N", "SMILES:OCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVZMDNIVUOVJPW-UHFFFAOYSA-N", "SMILES:OCCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORVPVKDVRBZHIR-UHFFFAOYSA-N", "SMILES:ON=CCCCn1c2ccccc2c2c3[nH]ncc3c3c4ccccc4[nH]c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUGRPBSHKVCHRJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CCCCC1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDLMAJWIKIILO-UHFFFAOYSA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CCCC(CNS(=O)(=O)C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUZTVGRDBAQGY-UHFFFAOYSA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CCCC(NS(=O)(=O)C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYYFGFWPXTBOK-UHFFFAOYSA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CCC1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPATLNUVUHCQT-UHFFFAOYSA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CCCC1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUODPMHLAGHTFS-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2ccc(Br)cc2c1)N1CCCCC1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTPZXFIUJRUJOZ-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2ccc(Br)cc2c1)N1CCCC1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMCHDWZOFZMFTK-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2ccc(Br)cc2c1)N1CCC1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUGRPBSHKVCHRJ-LBPRGKRZSA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CCCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUGRPBSHKVCHRJ-GFCCVEGCSA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CCCC[C@@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPATLNUVUHCQT-NSHDSACASA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKPATLNUVUHCQT-LLVKDONJSA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CCC[C@@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYYFGFWPXTBOK-JTQLQIEISA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYYFGFWPXTBOK-SNVBAGLBSA-N", "SMILES:O=C(c1ccnc2ccc(Br)cc12)N1CC[C@@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVMJCZIWWNZNM-CQSZACIVSA-N", "SMILES:CC(C)[C@@H](CNS(=O)(=O)C(F)(F)F)NC(=O)c1ccnc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTDLMOYHPNODV-JTQLQIEISA-N", "SMILES:O=C(c1csc2ccccc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMCVMFZUVCQGLS-ZDUSSCGKSA-N", "SMILES:O=C(c1cn(C2CC2)c2ccc(Br)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIHRCMZYDRAJB-JTQLQIEISA-N", "SMILES:O=C(c1ccc(Br)c2ncccc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLGOQGVNLLTKI-ZDUSSCGKSA-N", "SMILES:O=C(c1ccnc2c(C3CC3)cccc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKJAYISLNLTNB-AWEZNQCLSA-N", "SMILES:O=C(c1ccc(C2CC2)c2ccccc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHACKBXADUQRLD-INIZCTEOSA-N", "SMILES:COc1cc(-c2ccc3nccc(C(=O)N4CCC[C@H]4CNS(=O)(=O)C(F)(F)F)c3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSWKULATHIGAN-HNNXBMFYSA-N", "SMILES:O=C(c1ccnc2ccc(-c3ccnc(F)c3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNSWDUOZEKEKSQ-AWEZNQCLSA-N", "SMILES:O=C(c1ccnc2ccc(-c3cnoc3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJFWOGKLJMXXHP-HNNXBMFYSA-N", "SMILES:Cc1ccc(-c2ccc3nccc(C(=O)N4CCC[C@H]4CNS(=O)(=O)C(F)(F)F)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXBDHONLTIVHNL-AWEZNQCLSA-N", "SMILES:O=C(c1ccnc2ccc(-c3cccs3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLMDJBVKBAGKSB-ZDUSSCGKSA-N", "SMILES:O=C(c1ccnc2ccc(-c3ccc(Cl)s3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQOQTNRGOGFANE-AWEZNQCLSA-N", "SMILES:O=C(c1ccnc2ccc(-c3ccco3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVVCLAIWBNDJH-KRWDZBQOSA-N", "SMILES:COc1cccc(-c2ccc3nccc(C(=O)N4CCC[C@H]4CNS(=O)(=O)C(F)(F)F)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSBDLTQPXJLRPM-SFHVURJKSA-N", "SMILES:Cc1ccc(-c2ccc3nccc(C(=O)N4CCC[C@H]4CNS(=O)(=O)C(F)(F)F)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZIFCTZVCWMIO-KRWDZBQOSA-N", "SMILES:COc1ccc(-c2ccc3nccc(C(=O)N4CCC[C@H]4CNS(=O)(=O)C(F)(F)F)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBRYLLFMLBSILJ-KRWDZBQOSA-N", "SMILES:O=C(c1ccnc2ccc(-c3ccc(F)cc3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPAYDIDXEYLHSW-KRWDZBQOSA-N", "SMILES:O=C(c1ccnc2ccc(-c3ccc(Cl)cc3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBUMCDNJIQRQSR-INIZCTEOSA-N", "SMILES:O=C(c1ccnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGQIINUYCDXEHS-KRWDZBQOSA-N", "SMILES:O=C(c1ccnc2ccc(-c3ccc(C(F)(F)F)cc3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPPPTUZYBPWWFX-HNNXBMFYSA-N", "SMILES:O=C(c1ccnc2ccc(-c3ccc(F)cc3Cl)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZRBBJSHJSCHOC-KRWDZBQOSA-N", "SMILES:Cc1cc(F)ccc1-c1ccc2nccc(C(=O)N3CCC[C@H]3CNS(=O)(=O)C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQQJMZIMHMGOOZ-AWEZNQCLSA-N", "SMILES:O=C(c1ccnc2ccc(C3CC3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKLDZZWVUVCULW-INIZCTEOSA-N", "SMILES:O=C(c1ccnc2ccc(C3CCCC3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWFMHWNAKMSCH-KRWDZBQOSA-N", "SMILES:O=C(c1ccnc2ccc(C3CCCCC3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBNTUPABNYALK-KRWDZBQOSA-N", "SMILES:O=C(c1ccnc2ccc(Nc3ccc(Cl)cc3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDFLHSQTKAVKHQ-ZDUSSCGKSA-N", "SMILES:CC(C)Oc1ccc2nccc(C(=O)N3CCC[C@H]3CNS(=O)(=O)C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKJSEMCAAYXJB-INIZCTEOSA-N", "SMILES:O=C(c1ccnc2ccc(N3CCCCC3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSHDSDDMTSSZKP-AWEZNQCLSA-N", "SMILES:O=C(c1ccnc2ccc(N3CCC3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEBGTWQDSZIBAW-AWEZNQCLSA-N", "SMILES:O=C(c1ccnc2ccc(Nc3ccncc3F)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095094", "category": ["biolink:ChemicalEntity"], "name": "CULMERCICLIB", "xref": ["InChIKey:LLFOBMRPWNABCB-UHFFFAOYSA-N", "SMILES:CC(C)c1c2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)ccc2nn1C"], "synonym": ["Culmerciclib", "Culmerciclib", "Culmerciclib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201870", "category": ["biolink:ChemicalEntity"], "name": "TEGTOCICLIB", "xref": ["InChIKey:MTNBRBDFNSGQKB-GXTWGEPZSA-N", "SMILES:COCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)n(C)n1"], "synonym": ["Tagtociclib", "Tegtociclib", "Tagtociclib", "Tagtociclib", "Tegtociclib", "PF-07104091", "Tagtociclib", "Tegtociclib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRUUMLUBDTZHX-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)c(-c2cccc(OCCCO)c2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908306", "category": ["biolink:ChemicalEntity"], "name": "EFLUCIMIBE", "xref": ["InChIKey:ZXEIEKDGPVTZLD-NDEPHWFRSA-N", "SMILES:CCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1"], "synonym": ["Eflucimibe", "Eflucimiba", "F-12511"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105855", "category": ["biolink:ChemicalEntity"], "name": "ELDACIMIBE", "xref": ["InChIKey:HGLFNRGXRCKGSW-UHFFFAOYSA-N", "SMILES:CCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)=C1C(=O)OC(C)(C)OC1=O"], "synonym": ["Eldacimibe", "Eldacimiba", "ACA-147", "ACA147", "WAY-ACA-147", "Eldacimibe"]}
{"id": "CHEMBL.COMPOUND:CHEMBL47095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQZTZGNLFLQHKG-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZMWNRSILHTVFV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)NCCCC)ccc2SC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL22373", "category": ["biolink:ChemicalEntity"], "name": "CL-976", "xref": ["InChIKey:WAFNZAURAWBNDZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL274185", "category": ["biolink:ChemicalEntity"], "name": "LECIMIBIDE", "xref": ["InChIKey:TVXOXGBTADZYCZ-UHFFFAOYSA-N", "SMILES:CCCCCCCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(F)cc1F"], "synonym": ["Lecimibide", "Lecimibida", "DUP 128", "DUP-128", "DUP128", "Lecimibide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADSAXASYEAHYGP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=O)c2cccc(-c3ccccc3)c2)cc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTWDKJXEJSIMJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFZOSSVZZOGJCE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNXFWFUGVEFBJ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)cc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKNXNHHPZXQIIV-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)cc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEUDKRACRLOQD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)cc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBHCIMSACLGPK-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(-c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)cc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLLUVYHGWKSXIP-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)cc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXKGFIADNXGTKM-UHFFFAOYSA-N", "SMILES:CC(C)COc1cccc(-c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)cc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHQFXLRIFMFQGD-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)cc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJHUKENAWLZUOI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(-c2cccc(OCC3CC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBNRKNWUOLANV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)cc(C(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAAPCQYKEBAMDI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(-c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMYRCRVZVCHBDC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHYKPKJOHZSFTJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWHZTLBEDKNNA-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314455", "category": ["biolink:ChemicalEntity"], "name": "BRIGIMADLIN", "xref": ["InChIKey:AMTXDBGKYPDTTA-SJVQGLCSSA-N", "SMILES:Cc1c(C(=O)O)ccc2c3n(nc12)[C@@H]1[C@H](C3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F"], "synonym": ["Brigimadlin", "Brigimadline", "Brigimadlina", "Brigimadlin", "BI 907828", "BI-907828", "BI907828", "Brigimadlin", "Brigmadlin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5395366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWVQSVLYFOJBHQ-AJQTZOPKSA-N", "SMILES:O=C1CN(C(=O)N2C(c3ccc4c(c3)C(=O)NCC(=O)N4c3ccccc3)=N[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPRGPKOFWSIJK-PJGOFDOSSA-N", "SMILES:COc1cc(C(=O)O)ccc1N1CN2[C@@H](CC(C)(C)C)[C@@]3(CNc4cc(Cl)ccc43)[C@@H](c3cccc(Cl)c3)[C@@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMPLQIYYZHYFNW-MKYOLNSUSA-N", "SMILES:CCC(C)(C)C[C@@H]1N2CN(c3ccc(C(=O)O)cc3OC)C(=O)[C@H]2[C@H](c2cccc(Cl)c2)[C@]12CNc1cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZUOEOCBZLODC-AWEZNQCLSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CO)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZUOEOCBZLODC-CQSZACIVSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H](C)CO)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLATNDSHCULBL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCO)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFNHABDCVOAHO-HNNXBMFYSA-N", "SMILES:CC[C@@H](CO)NC(=O)c1cc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCXFXFWRDSWIB-LJQANCHMSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H](CO)C(C)C)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVOIWOMHPQTAD-JOCHJYFZSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H](CO)C4CCCCC4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNMGBKSHAODYOO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCN)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDDQLVMSUCMGD-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCC(F)(F)F)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUTVJIYXOFOONY-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)c1cc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCAXLDORTVHJD-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCN(C)C)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDNZBBCPCDEYQT-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1cc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZOHGZGDDWDRSZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCN4CCCC4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJQVUAXWKIGORE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCN4CCCCC4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBAXBRLMKZVSV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCCCN(C)C)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLHAEMNZHIXLG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCc4ccccn4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHVBDLFGLDHNE-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)NCc4ncc[nH]4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOBTRPSYPGQSN-SFHVURJKSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCCC4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAHNBJVIEWPVPP-HSZRJFAPSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H](CN4CCCC4)C(C)C)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUBKMWJXJVTIJ-KRWDZBQOSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCC4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYTXSCFJZRDPK-JOCHJYFZSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H](CN4CCC4)C(C)C)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWIUDNDAUFDMEU-INIZCTEOSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CC(F)(F)C4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYILQIXALFSOO-MSOLQXFVSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H]4CCCC[C@H]4N)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUOCOHZLBGRVQJ-MRXNPFEDSA-N", "SMILES:Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@@H]4CCCNC4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCXRMHAXOYCYFA-ZDUSSCGKSA-N", "SMILES:C[C@@H](CN1CCC1)NC(=O)c1cc(-c2ccnc(Nc3cc(F)cc(F)c3)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUMNHNQPRMZHGJ-ZDUSSCGKSA-N", "SMILES:C[C@@H](CN1CCC1)NC(=O)c1cc(-c2ccnc(Nc3cc(Cl)cc(Cl)c3)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLCFOHVAOBLAIK-HNNXBMFYSA-N", "SMILES:COc1cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCC4)n(C)n3)n2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLMDTCXZDFUAPI-ZDUSSCGKSA-N", "SMILES:C[C@@H](CN1CCC1)NC(=O)c1cc(-c2ccnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDAQWDWEIISOAR-INIZCTEOSA-N", "SMILES:Cc1cccc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCC4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYTCMUCQWMBSST-AWEZNQCLSA-N", "SMILES:C[C@@H](CN1CCC1)NC(=O)c1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTNKABUBXROBET-HNNXBMFYSA-N", "SMILES:C[C@@H](CN1CCC1)NC(=O)c1cc(-c2ccnc(Nc3cccc(C#N)c3)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLDBILXNGCZRLQ-INIZCTEOSA-N", "SMILES:COc1cc(Nc2nccc(-c3cc(C(=O)N(C)[C@@H](C)CN4CCC4)n(C)n3)n2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLMEKSMDVXWRY-HNNXBMFYSA-N", "SMILES:COc1ccc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCC4)n(C)n3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWLBWROSXNPWEJ-AWEZNQCLSA-N", "SMILES:C[C@@H](CN1CCC1)NC(=O)c1cc(-c2ccnc(Nc3ccc4c(c3)OCO4)n2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHTVRGGULXZWAQ-HNNXBMFYSA-N", "SMILES:COc1cccc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCC4)n(C)n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVAZAZUCHCTQNI-HNNXBMFYSA-N", "SMILES:COc1cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCC4)n(C)n3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWCMBRMDOHQAQ-FMQUCBEESA-N", "SMILES:CC1(c2ccc(F)cc2)CC(c2ccc(F)cc2)=C(C#N)/C(=C(/C#N)c2nnn[nH]2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRMLAOVUHZLII-RELWKKBWSA-N", "SMILES:COc1ccccc1C1=C(C#N)/C(=C(/C#N)c2nnn[nH]2)NC(C)(c2ccccc2OC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMCXJJASQHABB-XSFVSMFZSA-N", "SMILES:O=[N+]([O-])c1ccccc1/C=N/NCCCCc1nnnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFPGTZDZYVEFPN-XSFVSMFZSA-N", "SMILES:O=[N+]([O-])c1cccc(/C=N/NCCCCc2nnnn2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONRXKCMEMIZMQ-XSFVSMFZSA-N", "SMILES:Oc1cccc(/C=N/NCCCCc2nnnn2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZPMBNMDLFLLML-CPNJWEJPSA-N", "SMILES:O=C(CCCSc1nnnn1-c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMLHQMQXTVLRKA-CPNJWEJPSA-N", "SMILES:O=C(CCCSc1nnnn1-c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCRAASBKBUDLPW-CPNJWEJPSA-N", "SMILES:O=C(CCCSc1nnnn1-c1ccccc1)N/N=C/c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGOGLEOWUAVAKV-AWEZNQCLSA-N", "SMILES:O=C1c2ccccc2C[C@@H]1Sc1nnnn1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXWPJSFTOOXUAP-AWEZNQCLSA-N", "SMILES:O=C1c2ccccc2C[C@@H]1Sc1nnnn1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVOHTFZSUGMTD-AWEZNQCLSA-N", "SMILES:O=C1c2ccccc2C[C@@H]1Sc1nnnn1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZZHNAVDZOKCJY-AWEZNQCLSA-N", "SMILES:O=C1c2ccccc2C[C@@H]1Sc1nnnn1-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJYKTNVRYXAANP-AWEZNQCLSA-N", "SMILES:O=C1c2ccccc2C[C@@H]1Sc1nnnn1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEWQHCMDXBNQKL-HNNXBMFYSA-N", "SMILES:Cc1ccccc1-n1nnnc1S[C@H]1Cc2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSQGWBXWGNWEAV-CMDGGOBGSA-N", "SMILES:Cc1cccc(-c2nn3c(c2-c2ccc4ncnn4c2/C=C/C(N)=O)CCC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUHTXZGCTPDXRU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2[nH]c(C34CCC(C(N)=O)(CC3)CC4)nc2-c2ccc3c(c2)OCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHZUYJSRYQAVLA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(Cn2ncc3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZBKIGZKNFOINE-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(Cc2cccc(-c3ccc4[nH]ccc4c3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFUFWWPOBOWYPI-UHFFFAOYSA-N", "SMILES:c1ccc2ncc(-c3ccc4[nH]ccc4c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGVOSYLBCMBNI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(CCn2nc(-c3ccc4[nH]cc(C)c4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFDSFLMOZWXQMH-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(Cn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQXBNWZZSOJFW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(Cn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRZUEMDYNWMBKC-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2CCC1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRIMHHWIXXCRLW-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N1CCC(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRWDUFPJHUNHX-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMHBDJBLNKPDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCC(CCn3nc(-c4ccc5[nH]ccc5c4)c4c(N)ncnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEYNVYHDLCXBT-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCULXOYRRYFJC-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)N1CCC(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEDFLTJMBKAKDH-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)N1CCC(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZRBNNOHNRRRBN-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2CCC1CCN(S(=O)(=O)C2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUYMPKORCILYMH-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)N1CCC(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYPBLGKOLEPPS-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2CCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPEGJTRVZVZFBI-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCC(CCn3nc(-c4ccc5[nH]ccc5c4)c4c(N)ncnc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPQZQMSEFAWAU-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2CCC1CCN(S(=O)(=O)c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNJHCNTDGAGMP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(CCn2nc(-c3ccc4ncsc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNUJJFSOEXQBMC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(CCn2nc(-c3ccc4c(ccn4C)c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBVFDGBIMFQAO-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(CCn2nc(-c3ccc(N)cc3C)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBEXTORGMZDSAD-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(CCn2nc(-c3ccc4[nH]ncc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOSPEQFMNARRMI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(CCn2nc(-c3ccc4[nH]c(C)cc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFCNSBOHGYDLB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(CCn2nc(-c3cc4cc[nH]c4cc3C)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYHMHJMMBAZYHO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEBRRSVBWOVTAY-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CC(Cn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMBDAPSQDHVFT-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2-c1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTLAFNVYAUEDQF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC(Cn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOYBJUZNUGISIW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJSDTZJXXLQYST-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CCCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHUPRZAMRYDYKC-UHFFFAOYSA-N", "SMILES:C#CCCCC(=O)N1CCC(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCIWBZVCNSKAK-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N1CCC(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEJGUKWYHWPKBA-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2CCC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBZQRKIPBALEHQ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2CCC1CCN(S(=O)(=O)c2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPJRTYLIVEELP-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2CCC1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWFLQFXJTUQDI-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2CCC1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWRTEHAVOEYFM-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2CCC1CCN(S(=O)(=O)c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGWHCHVVJSBCG-UHFFFAOYSA-N", "SMILES:CC(=O)c1nn(CCC2CCN(C(C)=O)CC2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAYUPCUUUUMMN-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(-c2nn(CCC3CCN(C(C)=O)CC3)c3ncnc(N)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGKVHIEHBYURK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(CCn2nc(-c3coc4ccccc34)c3c(N)ncnc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIDDXCKLIHCPL-IBGZPJMESA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIDDXCKLIHCPL-LJQANCHMSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIDDXCKLIHCPL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CC(O)COc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQJASGRVTTXTRJ-UHFFFAOYSA-N", "SMILES:COCC(O)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCANRRDJDJQTJT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CC(O)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIFUGWDEJDOKTO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CC(=O)COc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUVDAZNAFOHBBI-UHFFFAOYSA-N", "SMILES:COCC(Cn1c(Cc2ccc(OC)cc2)nc2ccccc21)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZBJTKIOFNONP-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBGKELXNQFWHFU-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCCOc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVISLMUEIDICAV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCCCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNQJZHBVOVNCAN-UHFFFAOYSA-N", "SMILES:COCCCn1c(Cc2ccc(OC)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKKWBOKSBWWOQD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKRVVGLHDLBOCS-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJCFCRIWPYZZAJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDJXHHDGMRJFO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCCCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGJVVBPSNKVSTF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCCCCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1622697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPNYZWLZWQSCIO-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOKRAIADVIOHB-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1540744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNUUMIAJLDDOQ-UHFFFAOYSA-N", "SMILES:CCn1c(Cc2ccc(OC)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDHCLBAQHSZSS-UHFFFAOYSA-N", "SMILES:CCOC(=O)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOOHHXYYDUNWGX-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOBFQHVMVUXULX-UHFFFAOYSA-N", "SMILES:CCOC(=O)n1c(Cc2ccc(OC)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXXNMDVDUNWDSV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRFMLQMNZMCISR-UHFFFAOYSA-N", "SMILES:CCCCn1c(Cc2ccc(OC)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKOXCFOWUQLNK-UHFFFAOYSA-N", "SMILES:CCCn1c(Cc2ccc(OC)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNQVEDULFYBOB-UHFFFAOYSA-N", "SMILES:CCCCCn1c(Cc2ccc(OC)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVSTYQLSCIRKGG-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2C2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOBOYKIYMSMCAD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCCOC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYEYPHISKSPHCF-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCCBr)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYXLCLGIZIQVOR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCCNc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJRHSLDBBPAJRL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3n2CCCOc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL391352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYNJXSRJPAUCL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZLOMEIRRMNCDX-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1510955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVCCYLMOMPQERQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZESUSGTNACYLM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2(c3nc4ccccc4[nH]3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZAZEFOPMLDKIC-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNAGSSJIHCNQO-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEDHAKINWULMFY-UHFFFAOYSA-N", "SMILES:Fc1ccc(Sc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCZFGQPWJGPBG-UHFFFAOYSA-N", "SMILES:Clc1ccc(Sc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYHFSGVWIZTNPA-UHFFFAOYSA-N", "SMILES:Brc1ccc(Sc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUPRBIFAIMXHH-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Sc2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYIMPWABUKOKTH-UHFFFAOYSA-N", "SMILES:Clc1cccc(Sc2nc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSXHLOLGVCXCDU-UHFFFAOYSA-N", "SMILES:Clc1ccc(Sc2nc3ccccc3[nH]2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZZISVLCNDFVCZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZSLSUXGLKWMOC-UHFFFAOYSA-N", "SMILES:CCc1ccc(Sc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUUCLBFFNSFRC-UHFFFAOYSA-N", "SMILES:COc1ccc([S+]([O-])c2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCANMHAKFKATHC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)c2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLVDUJCPCBEMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2nc3ccccc3n2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGGESAUQROBED-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2nc3ccccc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPJEUGSGDJUNP-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2nc3ccccc3n2CCCCCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKNHKTYVHQPFOR-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2nc3ccccc3n2CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNMJCIUQTDGDBW-UHFFFAOYSA-N", "SMILES:OCCn1c(Sc2ccc(F)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMMDGMAUVUAMM-UHFFFAOYSA-N", "SMILES:OCCn1c(Sc2ccc(Cl)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGXUOJOYLXZTN-UHFFFAOYSA-N", "SMILES:OCCn1c(Sc2ccc(Br)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFOSBZHDUCLRJA-UHFFFAOYSA-N", "SMILES:OCCn1c(Sc2cccc(F)c2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMNIENXESZYRN-UHFFFAOYSA-N", "SMILES:OCCn1c(Sc2ccc(Cl)c(Cl)c2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTKZEKVQOORDKF-UHFFFAOYSA-N", "SMILES:CCc1ccc(Sc2nc3ccccc3n2CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXVQCFHSEWFLMH-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cncc(-c2ccc(O)c(C(=O)O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZQIFQLISEHGD-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cncc(-c2ccc(C#N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJFZNRYZSLYFD-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cncc(-c2ccc(C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGNGJCHACAYBE-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cncc(-c2ccc(C(=O)O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCJVJQUESRVNL-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2cncc(C(=O)NC(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1605196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUMRZLQTNIODP-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCEGCKHNSSSETG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(Oc3ccccc3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQORFUITFOLAHL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(Oc3ccc(F)cc3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRHVDQOJZMFTI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(Oc3ccc(Cl)cc3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMUWHDGUYVLZNQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJSXHPNVRKEIQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBJXBXCXJJSLMS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(Oc3cccc(Cl)c3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLSFUZYMFRCZAC-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQXQTVRAJOIOI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(Nc3ccccc3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAISKAQAHVDKHA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(Nc3ccc(F)cc3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLVKXIGPGHPNCY-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(Nc3ccc(Cl)cc3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEUDKBQPPOSARU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFAHSLPUPVRKKW-UHFFFAOYSA-N", "SMILES:CCc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDFBXWOUFPVFCS-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYJVULWBZYULAJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KITCGABOPRSTRW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(Nc3cccc(Cl)c3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIGBZAJRPVBHKS-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSRWNQGDYIHOS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(Nc3ccc(F)c(Cl)c3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYJOCADISKZJA-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(Nc3ccc(Cl)c(Cl)c3)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQKQWWHEDKNMHH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVAVGRGAQWAIG-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRONSGXPUSDUJN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1379948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHCHGRYZJVJEKL-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1385515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVALFUGFKQWBI-UHFFFAOYSA-N", "SMILES:COCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1889583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLKSZAMYZYIHF-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1898117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQUCHUHSVBZADY-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNC(=O)CCCn1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGDQKSTNROTRI-UFBKIKKCSA-N", "SMILES:CC(C)(C)OC(=O)/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJJPCRHOHYRIJX-PMACEKPBSA-N", "SMILES:O=C(NCCc1cccc(F)c1)[C@H](c1cncnc1)N(C(=O)[C@H](F)Cl)c1ccc(S(F)(F)(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJJPCRHOHYRIJX-WOJBJXKFSA-N", "SMILES:O=C(NCCc1cccc(F)c1)[C@@H](c1cncnc1)N(C(=O)[C@@H](F)Cl)c1ccc(S(F)(F)(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEOCNIZCHQOMFL-IBVKSMDESA-N", "SMILES:C[C@@H](NC(=O)[C@H](c1cccnc1)N(C(=O)C(Cl)Cl)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZBODFNXEFAFEI-IBVKSMDESA-N", "SMILES:C[C@@H](NC(=O)[C@H](c1cccnc1)N(C(=O)C(Br)(Br)Br)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBEIARVCIYYMOR-UHFFFAOYSA-N", "SMILES:N=C(CF)NCCCC(NC(=O)c1ccccc1C(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314585", "category": ["biolink:ChemicalEntity"], "name": "GAMCEMETINIB", "xref": ["InChIKey:PYOQIOLRFIRRSO-LLVKDONJSA-N", "SMILES:CCOCc1cnc(Cl)nc1Oc1ccc2c(ccc3sc4c(c32)NC[C@@H](C)NC4=O)n1"], "synonym": ["Gamcemetinib", "Gamcemetinib", "Gamcemetinib", "Bms-986371", "Cc-99677", "Gamcemetinib", "BMS-986371", "CC-99677", "Gamcemetinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRXLRTQYEQXONO-UHFFFAOYSA-N", "SMILES:CCCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMDCAQQYRTPCY-UHFFFAOYSA-N", "SMILES:CCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1448440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUABLNWRFDWJNV-UHFFFAOYSA-N", "SMILES:C=CCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQMSJMCIRIPGKY-UHFFFAOYSA-N", "SMILES:C#Cc1cccc(Oc2ccc(-c3nn(CCc4ccccc4N(C)C(=O)C45CC4C5)c4ncnc(N)c34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPKJGHVHQWJOOT-ZDZADGERSA-N", "SMILES:O=C[C@H](CC1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCRBVFBQANEDDM-LMBAYHJBSA-N", "SMILES:O=C[C@H](CC1CCNC1=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXAPRVICNZKZRJ-UHFFFAOYSA-N", "SMILES:CC(NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYQRWRBURPHFRH-UHFFFAOYSA-N", "SMILES:CC(NS(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASWYKRNQLZCDMP-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1ccc(S(=O)(=O)F)cc1)c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSJYOXFYRLUIRS-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cccc(S(=O)(=O)F)c1)c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMRNZKSHUJCKA-UHFFFAOYSA-N", "SMILES:CC(NC(=O)Cc1ccc(S(=O)(=O)F)cc1)c1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXTOJCHSYTVKSK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHXILSPGUYKEZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDXLVMBIAQOFQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMFXDFZQLIEYLS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMAPQJUXRZZQCU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEWDALXHIKJGQJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQXTVCDWNNNMED-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(S(=O)(=O)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYDUOARWBRQNL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVCMBPYJKEWRQ-UHFFFAOYSA-N", "SMILES:CNc1nc2ccc(N(Cc3ccnc(Cl)c3)S(=O)(=O)c3cccc(S(=O)(=O)F)c3)cc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVPJOZJMDMPIBO-RSRLQWHCSA-N", "SMILES:NCCOCCNC(=O)[C@@H]1CCNC(=O)/C=C/C(=O)N2CCC[C@](Cc3ccccc3)(C2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCc2ccccc2CC(=O)N1"]}
{"name": "Peptidyl-prolyl cis-trans isomerase E", "xref": ["CHEMBL.TARGET:CHEMBL6066227"], "id": "UniProtKB:Q9UNP9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBNIMBYYMAPEKV-UHFFFAOYSA-N", "SMILES:C#CCN(C)C(=O)c1cncc(-c2cnc3[nH]cc(-c4cc(C=O)c(C#C)cc4OC)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPOFDRXTTXVAA-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)F)ccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZUQHCPFAIOHGX-UHFFFAOYSA-N", "SMILES:C#Cc1cc(OC)c(-c2ccc3nc(NC(=O)NCO)sc3c2)cc1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMLYEKPLFOPNSU-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)cc1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFDMTGSFVHZOM-CHXPJMCCSA-N", "SMILES:O=C(N[C@@H]1C[C@H](n2cc(CNC(=O)c3cc4cc(Br)ccc4c(Br)c3O)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O)OC[C@@H]1C[C@H](O)O[C@@H]1O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOUPKUQIVVQHP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1SC1=NS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHRGDMWYJUFTSO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(c(OCCN4CCC(C(C)(C)O)CC4)c2)COC3)cc1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRTJYFGYJDNPQQ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(c(OCCN4CCC(C(C)(C)O)CC4)c2)COC3)cc1OC(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSCXWAROBXSKFT-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc3c(c(OCCN4CCC(C(C)(C)O)CC4)c2)COC3)cc1OC(=O)C1CCSCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIGLELPJNXZDO-SVBPBHIXSA-N", "SMILES:C#CCNC(=O)c1ccc(S(=O)(=O)N[C@@H](CCCCNC(=O)c2cncc(OS(=O)(=O)F)c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCQJUOGLJZDSGU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)n1cnc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYDDUJRDFUHNBV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)n1cnc(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASVKVIILQGWQKV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)cc1)n1cnc(-c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWGBVTXKFIINL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N3CCN(CCN(C)C)CC3)ncc2-c2ccoc2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDGFVITTWSOCO-UHFFFAOYSA-N", "SMILES:CN(C)CC[Se]c1cnc(-c2cccc(Cn3nc(-c4cccc(C#N)c4)ccc3=O)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLFDNCRQUIKEDM-UHFFFAOYSA-N", "SMILES:CN(C)CCC[Se]c1cnc(-c2cccc(Cn3nc(-c4cccc(C#N)c4)ccc3=O)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMNDEDJVWYXQE-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc([Se]CCCN5CCCCC5)cn4)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDYJNKKTMUHDBP-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc([Se]CCCN5CCOCC5)cn4)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODCUQIUGMXVIL-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc([Se]CCN5CCCC5)cn4)c3)n2)c1"]}
{"name": "Lactoperoxidase", "xref": ["CHEMBL.TARGET:CHEMBL5898"], "id": "UniProtKB:P22079", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CACMOFJOXKRQIJ-UHFFFAOYSA-N", "SMILES:Cn1cc[nH]c1=[Se]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPLZLQKRFFKCL-UHFFFAOYSA-N", "SMILES:Cn1ccn(C)c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQKUSNASLKWMDE-UHFFFAOYSA-N", "SMILES:Cn1ccn(C)c1=[Se]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJIRUGSSNOIRQ-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccn(C)c2=S)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGZWDDCAWYOIN-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccn(C)c2=[Se])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKMGGAEGPDEEI-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccn(Cc3cccc(OC)c3)c2=S)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJPMKLGWQUEJE-UHFFFAOYSA-N", "SMILES:COc1cccc(Cn2ccn(Cc3cccc(OC)c3)c2=[Se])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMWUCMFVDXDRDE-NRFANRHFSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOHQEAFAESMMDX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc23)c2c(N)nccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDASBFQKMHSSJ-XMMPIXPASA-N", "SMILES:Cc1ccc(CNC(=O)N2CCC[C@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLISNLCESBAQMU-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDFZZHXMTUWSL-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(NC2CCC(=O)NC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGPGQSFGWHSHFM-NRFANRHFSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCOC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMWUCMFVDXDRDE-OAQYLSRUSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDOCTMRRZJGXSI-FQEVSTJZSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNCC(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSLCBXFEYCLQNV-QFIPXVFZSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCN(CC(F)(F)F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPOLIAUQKQMND-QFIPXVFZSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)C3CCCCC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUSFPCHJUOJPJT-DEOSSOPVSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)CC3CCCCC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYDQGVJVHQKZLR-NRFANRHFSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)C3CCCC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWGGUZBQOLADOI-DEOSSOPVSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)Cc3ccccc3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUSSBWVQQRBHQV-FQEVSTJZSA-N", "SMILES:CCCS(=O)(=O)Nc1cccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCAJMLPNGMETQW-QFIPXVFZSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)CCC3CC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZGZJJYPTHPTIC-IBGZPJMESA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)CCC(F)(F)F)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPLXTQSJMKHNM-SFHVURJKSA-N", "SMILES:Cc1ccc2c(NS(=O)(=O)CCC(F)(F)F)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLOEOVWVIKPHG-FQEVSTJZSA-N", "SMILES:Cc1ccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(C)ccc2c1NS(=O)(=O)CCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZRZUYWPMTWBDJ-DEOSSOPVSA-N", "SMILES:Cc1cc(NS(=O)(=O)Cc2ccccc2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWDCRORLDSSJAU-QHCPKHFHSA-N", "SMILES:Cc1cc(NS(=O)(=O)Cc2ccccc2)ccc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYCMERFIKQCCQP-NRFANRHFSA-N", "SMILES:Cc1c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)ccc(NS(=O)(=O)Cc2ccccc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFKMTMVDPOQDQT-NRFANRHFSA-N", "SMILES:Cc1cc(NS(=O)(=O)Cc2ccccc2)c(F)cc1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQJPEVBILKJFKR-IBGZPJMESA-N", "SMILES:O=S(=O)(Cc1ccccc1)Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRZTYCDVHBJGCJ-SFHVURJKSA-N", "SMILES:O=S(=O)(Cc1ccccc1)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULOMPXQVNASAV-FQEVSTJZSA-N", "SMILES:Cc1c(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)cc(F)c(NS(=O)(=O)Cc2ccccc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPRFTBDGRCHUGW-FQEVSTJZSA-N", "SMILES:Cc1cc(Oc2ncccc2-c2ccnc(N[C@H]3CCCNC3)n2)c(F)c(F)c1NS(=O)(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBOAUACOQMQNBF-ROUUACIJSA-N", "SMILES:O=S(=O)(Cc1ccccc1)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBOAUACOQMQNBF-MSOLQXFVSA-N", "SMILES:O=S(=O)(Cc1ccccc1)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](F)C3)n2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBRTFKFUROCJI-JMQGSBJISA-N", "SMILES:C[C@@]1(F)CNC[C@@H](Nc2nccc(-c3cccnc3Oc3cc(F)c(NS(=O)(=O)Cc4ccccc4)c(F)c3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLYAIHDUTSGWSP-OALUTQOASA-N", "SMILES:O=S(=O)(Cc1ccccc1)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@H](CF)C3)n2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLYAIHDUTSGWSP-MOPGFXCFSA-N", "SMILES:O=S(=O)(Cc1ccccc1)Nc1c(F)cc(Oc2ncccc2-c2ccnc(N[C@@H]3CNC[C@@H](CF)C3)n2)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNIVXBJYZGVETC-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIJOJLJXBRNWBA-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BETLSQPEQWSNCA-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGLJXMLPSGHST-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASQDSDVQRNFZQZ-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAALKDIHUORYIH-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJUBLMWJXZMNRF-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPHTHZZLMHALF-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHUNIVGJJZPJMX-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZAWVXEZSJIHA-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZROQNGEHAGLE-VWLOTQADSA-N", "SMILES:COc1ccc(CN(C#N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEKVAPVPUFLEP-QHCPKHFHSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDJAEDLWIYCILU-QHCPKHFHSA-N", "SMILES:COc1cccc(CN(C#N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDVNSPVUINXKD-DEOSSOPVSA-N", "SMILES:COc1c(Cl)cccc1CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYKYRQZWHPQIIW-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1cc(Cl)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAJLUQOOKGTAG-VWLOTQADSA-N", "SMILES:COc1ccc(OC)c(CN(C#N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWVILRJXAWLFC-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHLMDEZVRVBNCE-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccc(Br)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMNOOPWDDUOPB-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccc(Br)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVKSDLASKCDOM-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccc(Br)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUGZNWUUQCXQNL-QFIPXVFZSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccc(Br)c(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWPIWHLLXLLRRC-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1c(F)cc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWHAHUPQUZVURS-QHCPKHFHSA-N", "SMILES:COc1ccc(Cl)c(F)c1CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPYQVNHVZFKWFS-QFIPXVFZSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFTSIVFHLPBOHB-QFIPXVFZSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDFFHVIIAFUKTL-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESZUXUKOQSNPP-VWLOTQADSA-N", "SMILES:COc1cccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)N(C#N)Cc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZSUUWBNFQQIK-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(F)cc1)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXSSBMRPNKBOA-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTHUNEPOBNFVRP-VWLOTQADSA-N", "SMILES:COc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)N(C#N)Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDJVSAAWQLHMPJ-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(F)c(F)c1)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLUUYEHQDTUBDY-MHZLTWQESA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc2ccccc12)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLJFKWIOLPNTI-SANMLTNESA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc2c(c1)NC(=O)CC2)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVPDOWCMZTKDR-VWLOTQADSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(F)c(F)c1)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSEZQQOILALOLK-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CNc1ccc(F)c(F)c1)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNJHYGBGWBSLQU-QHCPKHFHSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CNc1c(F)cccc1F)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZREVBVHHWZNHCC-DEOSSOPVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CNc1ccc(F)cc1F)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJHXVAHRUHQGKT-VWLOTQADSA-N", "SMILES:COc1ccc(NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)N(C#N)Cc2ccc(Cl)cc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDAPCDGESTEPR-XCZPVHLTSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCCCC1)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRZORIGGJYGUEB-QFIPXVFZSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cccs2)CC1)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDZVJZMPRYSUIS-VWLOTQADSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELWXIPVLLDGFO-VWLOTQADSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)N(C#N)Cc3ccc(Cl)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHLRVFAYFKZOU-LEWJYISDSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKYFHUQPZMDGOK-XZOQPEGZSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYPEHJDGDAIMY-BJKOFHAPSA-N", "SMILES:CCCS(=O)(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)N(C#N)Cc1ccc(Cl)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNFARXVTOTYHMG-IZZNHLLZSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C1CCCC1)C(C)(C)C)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHIFVYKWPHPFEV-UKILVPOCSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKYKTTUSUUUEB-AZGAKELHSA-N", "SMILES:Cc1csc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)N(C#N)Cc2ccc(Cl)cc2)C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGRWAAGARHSFOV-ABYGYWHVSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(-c2cccs2)s1)C(C)(C)C)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTAAIKREGSDHNS-WIOPSUGQSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNICQUXWGGDNLF-WIOPSUGQSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1F)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMJONNVSMEASA-WIOPSUGQSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1Cl)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTHLSASJXHTAY-WIOPSUGQSA-N", "SMILES:CN(C(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUWWLFQYPMDMI-WIOPSUGQSA-N", "SMILES:CN(C(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBSNIFGUNPUCBL-WIOPSUGQSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDSQVYWAMBOWIL-NZQKXSOJSA-N", "SMILES:CN(C(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NELMAQCQYVSAFW-IBGZPJMESA-N", "SMILES:CN1C(=O)[C@H](Cc2ccccc2)NC(=O)COCCOc2ccc(F)cc2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSMKRGLMOMZSEI-MHZLTWQESA-N", "SMILES:CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)COc2ccc(Cl)cc2Cl)CCCCCOc2ccc(F)cc2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACCXUQYGGYVOX-SANMLTNESA-N", "SMILES:CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)COc2ccc(Cl)cc2Cl)CCCCOc2ccc(F)cc2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZCGFUYWRSIHLJ-VWLOTQADSA-N", "SMILES:CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)COc2ccc(Cl)cc2Cl)CCCOc2ccc(F)cc2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COHPZJWIUCBXEW-DEOSSOPVSA-N", "SMILES:CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)COc2ccc(Cl)cc2Cl)CCCOc2ccc(Cl)c(F)c2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNFFDONFPGFOJ-VWLOTQADSA-N", "SMILES:CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)COc2ccc(Cl)cc2Cl)CCCOc2c(Cl)cccc2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQXXYZTUWXAPY-QHCPKHFHSA-N", "SMILES:CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)CNC(=O)c2cccs2)CCCOc2c(Cl)cccc2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRGFYQWIBWQNRP-DEOSSOPVSA-N", "SMILES:CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)CNC(=O)c2cccs2)CC2(CC2)COc2c(Cl)cccc2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUNSVLEFNNGLK-QFIPXVFZSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(F)c1Br)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGHXVXWUFMMXIW-QHCPKHFHSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Cl)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAHFMJDKDNHTNG-AHKZPQOWSA-N", "SMILES:CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C)N(C#N)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJFWTBVJFZSLFA-NRFANRHFSA-N", "SMILES:CN1C(=O)[C@H](Cc2ccccc2)NC(=O)COCCOCCOc2ccc(F)cc2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFQPOXFMKBYHL-FQEVSTJZSA-N", "SMILES:CN1C(=O)[C@H](CCc2ccccc2)NC(=O)COCCOc2ccc(F)cc2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWHRYSZDGOIMFF-QFIPXVFZSA-N", "SMILES:CN1C(=O)[C@H](CCc2ccccc2)NC(=O)COCCOCCOc2ccc(F)cc2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMYDHXKXWAHIK-RBJSKKJNSA-N", "SMILES:CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)[C@@H](NC(=O)c2cccs2)C(C)(C)C)CCCOc2ccc(Cl)c(F)c2CN1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDTKPPVRRBCBEE-UHFFFAOYSA-N", "SMILES:CC(c1cccs1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARDGFKHLPMTPNN-UHFFFAOYSA-N", "SMILES:O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CNCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPAFCSDBLVYDY-UHFFFAOYSA-N", "SMILES:CC(c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFFAYJSAJFZLCD-UHFFFAOYSA-N", "SMILES:O=c1c2c3c(sc2ncn1CC1CC1)CNCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKOWHMNNJCKFI-UHFFFAOYSA-N", "SMILES:O=c1c2c3c(sc2ncn1-c1ccc(F)cc1)CNCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMARWDMLBQHVCC-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPAFCSDBLVYDY-SNVBAGLBSA-N", "SMILES:C[C@H](c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPAFCSDBLVYDY-JTQLQIEISA-N", "SMILES:C[C@@H](c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMRRDQJHNYJGN-LLVKDONJSA-N", "SMILES:C[C@H](c1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMRRDQJHNYJGN-NSHDSACASA-N", "SMILES:C[C@@H](c1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCTPSBHAYNEWDI-CQSZACIVSA-N", "SMILES:CC[C@H](c1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCTPSBHAYNEWDI-AWEZNQCLSA-N", "SMILES:CC[C@@H](c1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLATKOXYCWZLD-CQSZACIVSA-N", "SMILES:O=c1c2c3c(sc2ncn1[C@H](c1ccccc1)C(F)(F)F)CNCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMLATKOXYCWZLD-AWEZNQCLSA-N", "SMILES:O=c1c2c3c(sc2ncn1[C@@H](c1ccccc1)C(F)(F)F)CNCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOPWNQXMOVXFJ-QGZVFWFLSA-N", "SMILES:CC(C)[C@H](c1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASSDZJLMBVGFT-SNVBAGLBSA-N", "SMILES:C[C@H](c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQAFPLATQCQVJD-SNVBAGLBSA-N", "SMILES:C[C@H](c1ccccc1F)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZCPCALVSJDRBC-LLVKDONJSA-N", "SMILES:C[C@H](c1ccc(C#N)cc1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDXLLRFSJQQJPS-LLVKDONJSA-N", "SMILES:COc1cccc([C@@H](C)n2cnc3sc4c(c3c2=O)CCNC4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCSJQDAZFCASQF-SECBINFHSA-N", "SMILES:C[C@H](c1ccc(F)cc1F)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJNNAAWBMJSIB-SECBINFHSA-N", "SMILES:C[C@H](c1cc(F)cc(F)c1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKJZVJSFYFMWTK-SECBINFHSA-N", "SMILES:C[C@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKJZVJSFYFMWTK-VIFPVBQESA-N", "SMILES:C[C@@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXOHUXIUKPXLTB-GFCCVEGCSA-N", "SMILES:C[C@H](Cc1ccccc1)Oc1ncnc2sc3c(c12)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRATTLUNRXSIO-CYBMUJFWSA-N", "SMILES:CCN1CCc2c(sc3ncn([C@H](C)c4ccccc4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANRATTLUNRXSIO-ZDUSSCGKSA-N", "SMILES:CCN1CCc2c(sc3ncn([C@@H](C)c4ccccc4)c(=O)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBDIQSQEMYBGRC-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cnc2sc3c(c2c1=O)CCNC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCYCEGYMNEAKV-KTMFPKCZSA-N", "SMILES:Cc1c(-n2c(-c3ccc4ccccc4c3)cs/c2=N\\c2ccccc2)c(=O)n(-c2ccccc2)n1C"]}
{"name": "Sterol 24-C-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL6066206"], "id": "UniProtKB:O74198", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:237561"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHFBWYFJWAZUEF-SGEDCAFJSA-N", "SMILES:Cc1c(-n2c(-c3ccc(Br)cc3)cs/c2=N\\c2ccccc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSIMIPVDXDXJR-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1cc(Br)c2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNQOZRZXISIIW-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRZPEVNLENIMIK-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc2sccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXCNTLSWFXHEAP-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1cc(Cl)c2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQBKJBKLUHFEO-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc2sc3ccc(Br)cc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSZNVDQSRRNFG-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABFVSJJDHFUMQ-UHFFFAOYSA-N", "SMILES:C=C(c1ccccc1)c1ccc(C(F)(F)P(=O)(O)O)c2c1oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL57974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEHCDHHLEVYQNS-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccccc1"]}
{"name": "Laforin", "xref": ["CHEMBL.TARGET:CHEMBL2311242"], "id": "UniProtKB:O95278", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPSXNXIWEUSCHP-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1cccc2oc3ccccc3c12"]}
{"name": "Dual specificity protein phosphatase 10", "xref": ["CHEMBL.TARGET:CHEMBL6066438"], "id": "UniProtKB:Q9ESS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Dual specificity protein phosphatase CDC14A", "xref": ["CHEMBL.TARGET:CHEMBL1772926"], "id": "UniProtKB:Q9UNH5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUTLVLVMSVXIKL-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc(Br)c2oc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXLKYDRCHHTLQW-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc(-c2ccccc2)c2oc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEAMEASDPYWPFV-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc(-c2ccc(O)cc2)c2oc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFDIQCMAXBQVFD-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc(-c2ccc(C(F)(F)F)cc2F)c2oc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFLZEWHZPNKIY-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc(-c2ccc(Cl)s2)c2oc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKNHRGEEDHIHG-ZHACJKMWSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc(/C=C/c2ccccc2)c2oc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFRKHXAESYMEHF-UHFFFAOYSA-N", "SMILES:O=P(O)(O)C(F)(F)c1ccc(C#Cc2ccccc2)c2oc3ccccc3c12"]}
{"name": "Dual specificity protein phosphatase CDC14B", "xref": ["CHEMBL.TARGET:CHEMBL6066204"], "id": "UniProtKB:O60729", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dual specificity protein phosphatase 23", "xref": ["CHEMBL.TARGET:CHEMBL2396506"], "id": "UniProtKB:Q9BVJ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQNYTAEGVVZDK-QPSGOUHRSA-N", "SMILES:COc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1OCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDCAQSFVDRHMS-LZYBPNLTSA-N", "SMILES:CCCCOc1c(Br)cc(/C=N/NC(N)=S)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFIRHOJVMBNEQL-NGYBGAFCSA-N", "SMILES:COc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1OC(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PERPKNMPQDOGFN-KEBDBYFISA-N", "SMILES:COc1cc(/C=N/NC(N)=S)ccc1OS(=O)(=O)c1c(C)cc(C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATKAGBWUBSPZRD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)c(Br)c(Br)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQCOTHUMEIBASP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)c(Br)c(Br)c1OCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWJQMBVXFIMQAY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)c(Br)c(Br)c1OCc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYXZBFURLBSDR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)c(Br)c(Br)c1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVMHOINSBSDSAE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)c(Br)c(Br)c1OC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFZRWWHLZSQLMY-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Oc2c(OC)cc(-c3nc4c(C(N)=O)cccc4[nH]3)c(Br)c2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXAQFFKLNMZRSV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(Br)c1OC(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRIVCKGRXSPGV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(Br)c1OC(=O)CCBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJCSDNHRCFFKZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1OC(=O)c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQQVZIZVWDSKY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)c(Br)c(Br)c1OS(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSHFMLHROBYMD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)c(Br)c(Br)c1OS(=O)(=O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNJSKGHKGXOXEP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)c(Br)c(Br)c1OS(=O)(=O)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGGZLKBPQOOAY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)c(Br)c(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRLWUFSRZSWAB-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Oc1c(Br)cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWZXLBLAODSAKH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(Br)c1OS(=O)(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBCOHOYNRNASDG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(Br)c1OS(=O)(=O)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBJJOSCGDBSLP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(Br)c1OS(=O)(=O)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLEGMISPFJWWOQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(Br)c1OS(=O)(=O)c1c(C)cc(C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLLPTDQCYMESEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Oc2c(Br)cc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQUHFKHVOTREF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(Br)c1OS(=O)(=O)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEFRDFVJRDSSMR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)c(Br)c(Br)c1OC(=O)CCBr"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACKBQXUODYMRT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1OS(=O)(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDWUPXDVYWKYNC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1OS(=O)(=O)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBPXYUAIQXXJM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1OS(=O)(=O)c1c(C)cc(C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJCSKLQQAIQTA-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCHUTGPRIRJQFG-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMSCCMDRSZEVSZ-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3F)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUEVIWNEEFXDQP-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAGPYUHIIJLWHK-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3Br)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUGKSKWFEOXOCY-DCXXXQMHSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCQJIMAEGVAIT-NXWNEQKCSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQYWWPYXLVTVBQ-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHLRNCOOANDVPL-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBSEIPFZLOSHR-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3Cl)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVTAGKCYZDYJEY-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3Br)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIIDSHWKTQBRGB-DCXXXQMHSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCXSDYUDCPBTN-NXWNEQKCSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRIFKZZQAYJES-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJCDGHYBXDDGLD-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)Nc3cccc(S(N)(=O)=O)c3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUPGSGHFTKRBQV-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CANAXXYLVRLJLS-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3Cl)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDVRJGVIOABRPY-PDOICOKGSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)Nc3ccc(S(N)(=O)=O)cc3Br)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQDBPDRKYCJNY-DCXXXQMHSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)NCc3ccc(S(N)(=O)=O)cc3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPAMHNIWGNIRH-NXWNEQKCSA-N", "SMILES:CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHZPRIAIJQSUAF-CYBMUJFWSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CCC(C)C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBALDWMKAODIG-SECBINFHSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVLKVQCFYVQDJ-SNVBAGLBSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSKUFRWOVNDXRF-LLVKDONJSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CCC)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNHUIUPIGOETA-LLVKDONJSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC=C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDZIESJUFYBJGD-LLVKDONJSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCABIQKTZQAYKL-LLVKDONJSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC2CC2)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFMXIEZVCLVVQW-SECBINFHSA-N", "SMILES:CCCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTGLPBMNZJRGFA-SECBINFHSA-N", "SMILES:C=CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKLQWQETZOVEI-SECBINFHSA-N", "SMILES:C#CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSMBCQDHUGIUHK-GFCCVEGCSA-N", "SMILES:C[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc2N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHUYDHFNRXPGH-SNVBAGLBSA-N", "SMILES:CCCCN1C(=O)[C@@H](C)N(C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQLWFOHKAXCDJ-LLVKDONJSA-N", "SMILES:CC(C)CCN1C(=O)[C@@H](C)N(C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYEBUDDSORLHQZ-LLVKDONJSA-N", "SMILES:CC(C)=CCN1C(=O)[C@@H](C)N(C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZJKTFMVKCDMSG-SNVBAGLBSA-N", "SMILES:Cc1cc(CN2C(=O)[C@@H](C)N(C)c3nc(Nc4cc(F)c(O)c(F)c4)ncc32)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DISNHWOXECWJHV-MRVPVSSYSA-N", "SMILES:C[C@@H]1C(=O)N(CC#N)c2cnc(Nc3cc(F)c(O)c(F)c3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDEGBBIGDNYMHW-GFCCVEGCSA-N", "SMILES:C#CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(Cc2cc(C)no2)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZCVUEDVVBMAAE-SNVBAGLBSA-N", "SMILES:C#CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(CC#N)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBDZWDOUDMWBK-SNVBAGLBSA-N", "SMILES:C#CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(CC)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFEBWFCZSQPYKA-LLVKDONJSA-N", "SMILES:C#CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(Cc2ccno2)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLMFOLPOQZUVFK-GFCCVEGCSA-N", "SMILES:C#CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(CCC(C)(C)O)C(=O)[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCWZMDVHDKCZRP-GFCCVEGCSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc4c(N)n[nH]c4c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDTXGHSGLKEJJP-GFCCVEGCSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc4c(O)n[nH]c4c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHRAGQTYXGXUAZ-CYBMUJFWSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3cc(C)c4nc(N)sc4c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHFHHMQMUGEIM-GFCCVEGCSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc(B(O)O)cc3F)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZIIENKJMMGCO-CYBMUJFWSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc(B(O)O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEPAERYXRHZLRW-GFCCVEGCSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc(O)c(Cl)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBALDWMKAODIG-VIFPVBQESA-N", "SMILES:C#CCN1C(=O)[C@H](C)N(C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZJKTFMVKCDMSG-JTQLQIEISA-N", "SMILES:Cc1cc(CN2C(=O)[C@H](C)N(C)c3nc(Nc4cc(F)c(O)c(F)c4)ncc32)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DISNHWOXECWJHV-QMMMGPOBSA-N", "SMILES:C[C@H]1C(=O)N(CC#N)c2cnc(Nc3cc(F)c(O)c(F)c3)nc2N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDEGBBIGDNYMHW-LBPRGKRZSA-N", "SMILES:C#CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(Cc2cc(C)no2)C(=O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZCVUEDVVBMAAE-JTQLQIEISA-N", "SMILES:C#CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(CC#N)C(=O)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDTXGHSGLKEJJP-LBPRGKRZSA-N", "SMILES:C#CCN1C(=O)[C@H](C)N(CC#C)c2nc(Nc3ccc4c(O)n[nH]c4c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDZIESJUFYBJGD-NSHDSACASA-N", "SMILES:C#CCN1C(=O)[C@H](C)N(CC#C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIKDANUDKUWVDX-CYBMUJFWSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc4oncc4c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJNJUHRVJUVRQT-GFCCVEGCSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc4c(Br)n[nH]c4c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQMUNJRYWKACT-CYBMUJFWSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc(O)c(C(=O)OC)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVYCKEDYTPRBOF-GFCCVEGCSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc(C(=O)O)c(F)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOUGHPWPVWGCN-CQSZACIVSA-N", "SMILES:C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc4c(=O)[nH]ccc4c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEPVIBLHIVGMP-JXFKEZNVSA-N", "SMILES:CCOC(=O)[C@@H]1CS[C@@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLTYLIXPPCXNIT-PMERELPUSA-N", "SMILES:O=C(NCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIXLAOMFBGFKV-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)F)cc1C(F)(F)F)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLENSVLSIBWDTQ-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQDQUQGOJNMOR-UHFFFAOYSA-N", "SMILES:COc1cc(CO)ccc1Cn1cnc2nc(N)nc(NCc3ccccc3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQUKLJZTJGSOLN-UHFFFAOYSA-N", "SMILES:COc1cc(CO)ccc1Cn1cnc2nc(N)nc(NCC3CCCCC3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCBHUAWXQIOMC-UHFFFAOYSA-N", "SMILES:CCCCCCNc1nc(N)nc2ncn(Cc3ccc(CO)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMPVUJMIFLBGY-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ncn(Cc3ccc(CO)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXFQXCUICBFMT-UHFFFAOYSA-N", "SMILES:CCCNc1nc(N)nc2ncn(Cc3ccc(CO)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPJAVTYQYKZMD-UHFFFAOYSA-N", "SMILES:CCNc1nc(N)nc2ncn(Cc3ccc(CO)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJYVIULVKSCPHV-UHFFFAOYSA-N", "SMILES:COc1cc(CO)ccc1Cn1cnc2nc(N)nc(NCC(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMCXFKIQYSSVRE-UHFFFAOYSA-N", "SMILES:COc1cc(CO)ccc1Cn1cnc2nc(N)nc(NC(C)C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZQNKBSJFJJJDL-UHFFFAOYSA-N", "SMILES:CCCCOc1nc(N)nc2ncn(Cc3ccc(CO)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWXWYNGCDZWOC-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ncn(Cc3ccc(CN(C)C)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGIFXPRNUJZSSA-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ncn(Cc3ccc(CN(CC)CC)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHUTWAAGYSPTFZ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ncn(Cc3ccc(CN4CCCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOJXABWVUGMSEF-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ncn(Cc3ccc(CN4CCCCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQNRRVXUZUCLE-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ncn(Cc3ccc(CN4CCNCC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIEWIAGXHBTFMZ-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ncn(Cc3ccc(CN4CCCN(C)CC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPLBHRIQVKSLS-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(N)nc2ncn(Cc3ccc(CN4CCN(C)CC4)cc3OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTTFUGKQTLNAMD-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHNPJGSIWFOQCS-AFARHQOCSA-N", "SMILES:O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSDCVAJNDKSQKD-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1)N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKBJVZRNXJDDD-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHRZNGUSHPCIP-QRQCRPRQSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIZVFTYEKNQHNW-AHKZPQOWSA-N", "SMILES:O=C(N[C@@H](CO)[C@H](O)c1ccccc1)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCCOZMLHPTZJDA-UHFFFAOYSA-N", "SMILES:O=C(NC(CO)CO)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYXGLXUADTXUKP-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)F)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNFNBBAXNAJDK-UHFFFAOYSA-N", "SMILES:COCCNC(=O)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLECLEYOPSJMCF-UHFFFAOYSA-N", "SMILES:O=C(NCCCO)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJUCFPBUTUBURP-UHFFFAOYSA-N", "SMILES:O=C(NCCCCO)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKBWXXWSNGFRE-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)CO)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNAIQQQWQEXJB-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAOESAPPDWTLZ-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCXXUVFXLIXHW-UHFFFAOYSA-N", "SMILES:COc1c(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMEPWIUDEAIWSB-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQXBJGMGNDWHS-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)c1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTPXWBPPBNHRRV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCCO)cc1Nc1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITDXVMAQUXKBGC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NCCO)cc1Nc1cc(Cc2cccc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGQDLVOLZNBHQI-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1cc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOSYEZUSYVEOBM-UHFFFAOYSA-N", "SMILES:O=C(NCCO)c1ccc(Nc2cc(Cc3cccc(C(F)(F)F)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXDIXWOWJMAIK-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOPHWJNNPYWXAA-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3ccc(C(F)(F)F)cc3C(F)(F)F)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQKBLXTMBQAGH-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3ccc(C(F)(F)F)cc3)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAQDUUASAIBXIQ-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3ccccc3C(F)(F)F)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUUHJVYGPOYFCS-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3cc(F)cc(Cl)c3)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMEVULHHYGVXAM-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2ccnc(Nc3cccc(C(=O)NCCO)c3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRDLESZCTQVWFE-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3ccccc3)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEAWSVYDCDNXTE-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3ccc(Cl)cc3F)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFXHAHFQKJHEW-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3cccc(F)c3)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGSOVKNYZBNOW-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3ccc(F)cc3)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTRBMJWAMJDRGJ-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2cc(Cc3cccc(OC(F)(F)F)c3)ccn2)cccc1C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJYDFFNPACSTJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc3c(c2)CCN(CCc2ccc4c(c2)COC4=O)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUBZMLLUVVVIZ-VWLOTQADSA-N", "SMILES:N#Cc1ccc(-c2ccc3c(c2)CCN(C[C@H](O)c2ccc4c(c2)COC4=O)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQVCJPPTNCCKL-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(-c2ccc3c(n2)CCN(C[C@H](O)c2ccc4c(c2)COC4=O)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMAWIKYXBYXSGW-QFIPXVFZSA-N", "SMILES:N#Cc1ccc(-c2ncc3c(n2)CCN(C[C@H](O)c2ccc4c(c2)COC4=O)C3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWLYZRDJTYXQV-QHCPKHFHSA-N", "SMILES:Cc1c([C@@H](O)CN2CCc3nc(-c4ccc(C#N)c(F)c4)ncc3C2)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVOFHFNOVWHGP-DEOSSOPVSA-N", "SMILES:Cc1c([C@@H](O)CN(C)Cc2ccc(-c3ccc(C#N)c(F)c3)nc2)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBQMLHCUQXMXAD-QHCPKHFHSA-N", "SMILES:Cc1c([C@@H](O)CNCc2ccc(-c3ccc(C#N)c(F)c3)nc2)ccc2c1COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUVBMCQPLQRPEW-QHCPKHFHSA-N", "SMILES:Cc1cc(-c2ccc(CNC[C@H](O)c3ccc4c(c3C)COC4=O)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAHNYQOXSNDCE-FQEVSTJZSA-N", "SMILES:Cc1cc(-n2cnc(CNC[C@H](O)c3ccc4c(c3C)COC4=O)c2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFYDHKWBNARYFQ-IBGZPJMESA-N", "SMILES:Cc1cc(-n2ncc(CNC[C@H](O)c3ccc4c(c3C)COC4=O)n2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBABYGWJJCNTGT-FQEVSTJZSA-N", "SMILES:Cc1cc(-c2ncc(CNC[C@H](O)c3ccc4c(c3C)COC4=O)s2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSRVJRJOCJWSA-FQEVSTJZSA-N", "SMILES:Cc1cc(-n2ccc(CNC[C@H](O)c3ccc4c(c3C)COC4=O)n2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFLMYZVCGTZAJN-FQEVSTJZSA-N", "SMILES:Cc1cc(-n2cc(CNC[C@H](O)c3ccc4c(c3C)COC4=O)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEXFZRGPLIRTBW-FQEVSTJZSA-N", "SMILES:COc1c(CNC[C@H](O)c2ccc3c(c2C)COC3=O)cnn1-c1cc(C)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLSFEFCBKOPIX-IBGZPJMESA-N", "SMILES:Cc1cc(-n2cc(CNC[C@H](O)c3ccc4c(c3C)COC4=O)c(C(F)F)n2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWABUIBUCAPVSQ-QFIPXVFZSA-N", "SMILES:Cc1cc(-n2cc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOFUMCJUAHZTJC-NRFANRHFSA-N", "SMILES:Cc1cc(-n2cc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)OCC3=O)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXLFBTWOQAKKR-QHCPKHFHSA-N", "SMILES:Cc1cc(-n2cc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)OC(C)(C)C3)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DROCQKKPPKNLHA-QFIPXVFZSA-N", "SMILES:Cc1cc(-n2cc(CN3CCN[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVTSOAPPUSBKRI-NRFANRHFSA-N", "SMILES:Cc1cc(-n2ncc(CN3CCN[C@H](c4ccc5c(c4C)COC5=O)C3)n2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDFFRMTWLFBAK-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cc(CN3CCCC(c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXNXAOEDFSFFT-JTHBVZDNSA-N", "SMILES:Cc1cc(-n2cc(CN3CC[C@@H](O)[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPSHZWBTOEBJC-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cc(CN3CC(O)CC(c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXMJGSOOVNURM-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cc(CN3CC(O)C(c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFJPFNAKIMFQKB-NRFANRHFSA-N", "SMILES:Cc1cc(-n2cc(CN3CC(=O)N[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWUUGKSEIAEARJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cc(CN3CCNC(c4ccc5c(c4C)COC5=O)C3C)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAWRZXNVPSFVQM-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cc(CN3CC(c4ccc5c(c4C)COC5=O)NCC3C)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRCYDDLRPFXMNA-NYHFZMIOSA-N", "SMILES:Cc1cc(-n2ncc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)N[C@@H](C)C3)n2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSBLZQHQMSKBPM-XXBNENTESA-N", "SMILES:Cc1cc(-n2cc(CN3C[C@H](CO)N[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNBIUBNAWQMMA-QFIPXVFZSA-N", "SMILES:Cc1cc(-n2ncc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)NC(C)(C)C3)n2)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKNOWDFASFVKBD-CVWNIFJYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZETMEQYWPKWTGR-ZCJNRZIHSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLAVXXXKWALXPD-LVBUJRILSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTTWYWMPMZJMW-HWLUPWGYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIHNBQVWBCDIL-QAVVUGRASA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJIXUYYGNRUYHR-XNFXDJCTSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIAMWNTTZHPRIS-ZTZADCATSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQCAXJADSNHZTE-ZOQWVVMKSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYWHJNMLFZEZSO-HQOMRLKYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMAZTHQZULDROS-ZCJNRZIHSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5cncn5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNOJXDYZRAJEMN-CVWNIFJYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZBHUQSKGLDPFR-LVBUJRILSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPCAAZCEISPSCG-MIBVCCNYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)COCCOCCOCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTIBMCCSOCFGPN-ZTZADCATSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMKCWKQTBIUXDG-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWAYLDTCRMJLD-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRVWKKFCXCMIW-DQNYIQSGSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSGKBFCUVLHDJ-KZAUDZKBSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSZVABQPWCKIQ-DQNYIQSGSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLCVGNISNXRLRJ-CKWJFIGTSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFLOYDQKYXKNG-GPDYWRALSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MISZBADQUNEYDD-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OC3CCN(C(=O)CCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWXINOGNYMOHE-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OC3CCN(C(=O)CCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZFQZJCTFPXMN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OC3CCN(C(=O)CCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSYMMOYULYCQM-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OC3CCN(C(=O)CCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUODCQGKTOBVKW-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCC(=O)NCC#Cc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQQAIPBUKVHRRD-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCC(=O)NCC#Cc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPPUHPKFYURLFX-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCC(=O)NCC#Cc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQLHTLPTPMSZJJ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCCC(=O)NCC#Cc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRZRLWETTUUIE-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCCCC(=O)NCC#Cc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPDQDIJYDLQFT-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCCCCC(=O)NCC#Cc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQSVPCHIYOIMDS-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCC(=O)NCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGQDNJCGLKIETE-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCC(=O)NCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVADXQXVQIZUOT-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCC(=O)NCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVOJECSTVKGBLZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCCC(=O)NCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVXPGXSEMNATG-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCCCC(=O)NCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBKQKNNPXBJNTD-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCCCCCC(=O)NCCCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZUPHOIVBGGOV-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCC(=O)NCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRQSYCFHPDWNLS-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCC(=O)NCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQZLAXNGIATBBF-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCC(=O)NCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFOWAAZLTHLZHO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCC(=O)NCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDDWJJQJNNWEPB-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCC(=O)NCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNAORSKOWNXIGO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCC(=O)NCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIHNXIVVGRWVHT-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCC(=O)NCCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSLGZGATDLSYSE-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCC(=O)NCCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYXYYGLHLBSSN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(OCCCC(=O)NCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYHYECFOCSQRBC-PRIMNGNOSA-N", "SMILES:CCCCC#Cc1nc2c(N)nc(-c3ccco3)nc2n1[C@@H]1OC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DACJMPASLFHHOI-CBLJQSSYSA-N", "SMILES:CCCCC#Cc1nc2c(NC)nc(-c3ccco3)nc2n1[C@@H]1OC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMMUPOGOQQHSE-PRIMNGNOSA-N", "SMILES:CCCCC#Cc1nc2c(N)nc(-c3cccs3)nc2n1[C@@H]1OC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YROBLOXLHQVABO-PRIMNGNOSA-N", "SMILES:CCCCC#Cc1nc2c(N)nc(-c3ccco3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFIVCZRQWPHPTL-CBLJQSSYSA-N", "SMILES:CCCCC#Cc1nc2c(NC)nc(-c3ccco3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOPIJOVCGUYBH-PRIMNGNOSA-N", "SMILES:CCCCC#Cc1nc2c(N)nc(-c3cccs3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXKKOLNJBPXHL-CBLJQSSYSA-N", "SMILES:CCCCC#Cc1nc2c(NC)nc(-c3cccs3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFRXCTJZAYPXGE-NDKUEENFSA-N", "SMILES:CCCCC#Cc1nc2c(NCc3cccc(I)c3)nc(-c3cccs3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUXKGZJSDUHGOJ-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc2c(N)nc(-c3ccco3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQSSCGZCCSAEE-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc2c(NC)nc(-c3ccco3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APQUIKJRSHEWBU-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc2c(NC)nc(-c3cccs3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDIXDOVKNZZYKW-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc(N)c2nc(-c3ccco3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWRGNCIORXEUCS-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc(NC)c2nc(-c3cccs3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFKRMUAVFJYHNX-KGBXAXFASA-N", "SMILES:Nc1nc(-c2ccco2)nc2c1nc(-c1ccco1)n2[C@@H]1OC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHOYORMDSDHSP-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccco2)nc2[nH]c(-c3ccco3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLJZJILCUFFMCQ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccs2)nc2[nH]c(-c3cccs3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHCWCXZJCKVOJZ-NDKUEENFSA-N", "SMILES:CCCCC#Cc1nc2c(NCc3cccc(I)c3)nc(-c3ccco3)nc2n1[C@@H]1OC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYQJUHIBGJVGRN-CBLJQSSYSA-N", "SMILES:CCCCC#Cc1nc2c(NC)nc(-c3cccs3)nc2n1[C@@H]1OC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNWEOWTCBAHCC-NDKUEENFSA-N", "SMILES:CCCCC#Cc1nc2c(NCc3cccc(I)c3)nc(-c3ccco3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVOSXNOZECHFKW-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc2c(NCc3cccc(I)c3)nc(-c3ccco3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GINSISHQZZKKDM-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc2c(N)nc(-c3cccs3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZFMAMDDRPYNBC-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc2c(NCc3cccc(I)c3)nc(-c3cccs3)nc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXQRFQMWRINTPJ-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc(NC)c2nc(-c3ccco3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLYPUFOPXDLKMR-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc(N)c2nc(-c3cccs3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNNAJMEEYCJEH-CFCCAZDESA-N", "SMILES:CCCCC#Cc1nc(N)c2nc(C#CCCCC)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATQMDWEZLNFQY-NDKUEENFSA-N", "SMILES:CCCCC#Cc1nc2c(NCc3cccc(I)c3)nc(-c3cccs3)nc2n1[C@@H]1OC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBCGYMOYRKRZIW-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc(NCc2cccc(I)c2)c2nc(-c3ccco3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GURJGCYEPLVWGS-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc(NCc2cccc(I)c2)c2nc(-c3cccs3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMKOIJSLWHNSB-YIFZBPKDSA-N", "SMILES:CCCCC#Cc1nc(NC)c2nc(C#CCCCC)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNAVAOYJFNQBKT-LFGPKHSOSA-N", "SMILES:CCCCC#Cc1nc(NCc2cccc(I)c2)c2nc(C#CCCCC)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPPDPKGXVORGV-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc(N)c2nc(C#CCCCC)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKAOYCPSQMIXCQ-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc(NC)c2nc(C#CCCCC)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNPXQAWVREAHZ-KGBXAXFASA-N", "SMILES:Nc1nc(-c2cccs2)nc2c1nc(-c1cccs1)n2[C@@H]1OC[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEFNEQUFAWFJDE-UHFFFAOYSA-N", "SMILES:CCCCC#Cc1nc(NCc2cccc(I)c2)c2nc(C#CCCCC)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVYMOZBEXPZXGU-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2ncn(C(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZPWQGJNEAVDSZ-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2cccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDOAAFLHUCXLOQ-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2ccc(C)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRCIBHCEMQQZSP-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2cc(F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSXPJMIQCAYQRT-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnn(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJGNGBYFDDZAF-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cc(F)ccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWANVBKKFZMEFM-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2cnn(C(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQYXBZDQOOXSFN-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGVOMXZSGVZVQO-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2cc(C)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQSWMMFANATPV-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2nc(C)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WINLRHIWKMFSFU-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2cnc(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYMKOORXILRQTO-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnn(C(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZBHCEVRPONWKV-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cccc(F)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOVHYCOPNXPIB-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ccc(F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJGXKKEQKAHIL-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cccnn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVPVXVGLVUGXIU-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ncccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZFKEZYGYPWBGP-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHPFSMVZLXVSR-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnc(Cl)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOLTVIKTRWZIY-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ncc(C#N)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKBPTDBRXFBHFN-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ncc(C)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBOETOGLVFGCA-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ncc(F)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUMQCKYTUMTRBR-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cncc(-c2cnccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIIUEXNROOAEDU-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cc(-c2cnccn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWKFAZKYEHFNOP-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZWXTFVEXWGAY-UHFFFAOYSA-N", "SMILES:C=CCCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACDSDKPIINLJM-UHFFFAOYSA-N", "SMILES:COCCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWOWGUPGBPKRHH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4c(=O)n(CC5CC5)n(-c5cccc(-c6cnccn6)n5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQDBNIUMHQSPS-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cccnn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHHFSLPPHMALI-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4C5CCC4CN(C)C5)cc3)nc2n1-c1cccc(-c2cccnn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVFFWIBQFKMGLW-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)nc2n1-c1cccc(-c2cccnn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELLVSHOEDJVAW-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC4)nc2n1-c1cccc(-c2cccnn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJRVPQFGGPBIJK-BGYRXZFFSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)nc2n1-c1cccc(-c2cccnn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXVHPBOCBHCAMA-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ncccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNBBOSNVXWEUDK-ZRZAMGCNSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4[C@@H]5CC[C@H]4CN(C)C5)cc3)nc2n1-c1cccc(-c2ncccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJWVMUCFHOYLFD-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1-c1cccc(-c2ncccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKABPLUYFTVRP-BGYRXZFFSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)nc2n1-c1cccc(-c2ncccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKGLJFOOUQWAA-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1cccc(-c2ncccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTMTCKTVAJXDO-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(-c2ncccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBPNDGSGQZCXFY-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)nc2n1-c1cccc(-c2ncccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUCXCPAJLSDZKB-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4C5CCC4CN(C)C5)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDMMCLUCHCIVJO-FGZHOGPDSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4C[C@H]5C[C@@H]4CN5C)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXRCOVDMXPMYBQ-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWTMBVFSBHJRSG-BGYRXZFFSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQUDEWPMCZIKI-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNZOIDDBBBRTFK-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFQQQSHBNMYKK-UHFFFAOYSA-N", "SMILES:C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGCHVYJTMJKHT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXKXKCRSFCFWDN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTZDVVWEMQJFAP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDDJPGGZYLLOOL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRYVZKCCXIQREK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITSHDBZOYHUWAY-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXCHURIJCPWDR-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPXFLULMVWLPE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWSGPHYWISIFNF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLKPYSMNPQUPCG-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSWSTGDFAKJKHO-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSMKLXCDASLEKO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPVXHJSBHZCOKU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQSITGTYCNAEP-UHFFFAOYSA-N", "SMILES:CCCCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDNFSJGOOFZENW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPRJCXXFADHQTK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABWYJCQFSZCANO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATVFOUGGXBLSO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTUCKWSGKIVTDL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBIYPUUDNSFSW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUEBYXZQMUKEFV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFTGGUGFIFRXJL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccn3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYVFTMJHYJLAP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCKKJFNHTMCMMI-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccsc1S(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUAZJADWBNHSB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXEUWXVHOJBZLY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLOQMRVJUIWIK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKDOLJZKRZRGC-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRSWIPDKMZRUEQ-UHFFFAOYSA-N", "SMILES:C#CCCC1(CCN2CCCc3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)cc32)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZWSESLNFHJBKI-UHFFFAOYSA-N", "SMILES:Fc1ccc(F)c(NCCN2CCN(c3nccc4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDJXFUXBBICECG-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2ccccc2C(=O)Nc2ccccc2)CCN1C(=O)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGPBPKMVQAYEMW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSAOWLKDXSTDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2CCN(c3nc(N)c4sccc4n3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEJAWBNFRIWKRM-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2ccc3ccccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAZMKWMRXKOSHD-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCc1ccc(-c2ccccc2)cc1)c1cc(F)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRMNXBZYSNENEC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(CC(=O)N2CCN(c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJTMSKYIKFGVLH-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(N(Cc2cccc(C)c2O)C(=O)c2cccc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFDRVVLAMSQKDO-UHFFFAOYSA-N", "SMILES:Cc1cc(O)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHRZLJTWGSGYRG-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2ccccc2c1)N1CCC(N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXKPRQOHWRFAV-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccc(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMLSNMTOXSTIK-UHFFFAOYSA-N", "SMILES:O=C(c1ccco1)N1CCN(C2CCN(c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFOOQFULUBOLO-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2ccccc2c1)N1CCN(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASIWEAQLFLEUGB-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2cccnc2)CC1)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKEVEDOVMXMLBB-UHFFFAOYSA-N", "SMILES:O=C(c1cnc2ccccc2c1)N1CCC(N2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUCQGHRRPRBJDE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ncc[nH]2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPROWLPUROXTQT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2Cc2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUOLDRIIBANRMU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2C(C)c2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIZSSYYPAMODW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2Cc2ccc(Cl)cc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZYBKFPPZFVJKL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2Cc2cccc(Cl)c2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYKFSFDPPZVOJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2Cc2ccccc2Cl)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKYIZEOOAIXQBK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2Cc2ccc(C#N)nc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNZWKKVOXSVOG-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2ccnc2-c2cc(C)c(=O)n(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFMDDLDADYHAL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2Cc2ncccn2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPLHQRWBSDFJDM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2Cc2cncnc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSJAKQSZDYKAE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2Cc2cccnn2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPWGNCURIQQIRR-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2Cc2ccn(C)n2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBVPBDLDLDMAJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2CC(C)C)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYEVNVBNADIMLN-UHFFFAOYSA-N", "SMILES:COCC(COC)n1ccnc1-c1cc(C)c(=O)n(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADOCELVICEXGO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2CC2CCOCC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFARQUCQISUZAP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2CC2CCCOC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXSCLEWBLWKOEJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2CC2CCCCO2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMDACVGYMZGMB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nccn2CC2CCNCC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMYLTIOPQHAAA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCCC(Cn2ccnc2-c2cc(C)c(=O)n(C)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQBXRVQMFGJAV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(Cl)cn2Cc2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTZJKGSRTVAHFX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C#N)cn2Cc2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFFIYBNFIPYLQV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(Br)cn2Cc2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCZNRHQDHTQQH-UHFFFAOYSA-N", "SMILES:Cc1cn(Cc2ccccc2)c(-c2cc(C)c(=O)n(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAAUKMRNZJYABD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(-c3ccccc3)cn2Cc2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPROLVPYRKGCNA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cn(Cc2ccccc2)c(-c2cc(C)c(=O)n(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIXMKJKPNYWWAQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ncc(Cl)n2Cc2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZUEANEUIRTBX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)O)cn2Cc2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOODAQVJRYTPMB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(N)=O)cn2Cc2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWJVIUBJRLVGF-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1cn(Cc2ccccc2)c(-c2cc(C)c(=O)n(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBYPCGNADMZJQ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)N(C)C)cn2Cc2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVVYTBZQNLISLO-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)NCC3CCN(C)CC3)cn2Cc2ccccc2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEFRGMQIASRIPQ-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2nc(Cl)cn2C[C@@H]2CCCOC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEFRGMQIASRIPQ-GFCCVEGCSA-N", "SMILES:Cc1cc(-c2nc(Cl)cn2C[C@H]2CCCOC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHOXEWBUJAXSW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(Cl)cn2CC2CCOCC2)cn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOADUTBZVCGNJV-CQSZACIVSA-N", "SMILES:CC(=O)N1CCC[C@@H](Cn2cc(Cl)nc2-c2cc(C)c(=O)n(C)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOADUTBZVCGNJV-AWEZNQCLSA-N", "SMILES:CC(=O)N1CCC[C@H](Cn2cc(Cl)nc2-c2cc(C)c(=O)n(C)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPWLXOPMAMOCA-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Br)cc1)Nc1ccc2nc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZLUPDXYZULMI-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)Nc2ccc3nc[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQITZDCGBDYFOP-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)Nc2ccc3cc[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEGANUMJBPOWSR-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)Nc2ccc3cccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDWWKCGPQUZAQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)Nc2ccc3sccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVQGLBDHTBGMMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBCGVJCSCLEQY-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYEFUSIUQLPQHR-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5560715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVEIGDHIIQBPGT-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(F)cc1)Nc1ccc2nc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKZERNIQQNCKX-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)Nc1ccc2nc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5517984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWHJHVRQLMPTRZ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(CO)cc1)Nc1ccc2nc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPEBXXUXGSJLCP-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(OCC(=O)Nc2ccc3nc[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVSMKBCUYVZPPA-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc2nc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTWUJDYMHOGLL-UHFFFAOYSA-N", "SMILES:O=C(COc1ccccc1)Nc1ccc2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBSJVOMSIGTTCP-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC(=O)Nc2ccc3cccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPOZWKURUKNIL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(OCC(=O)Nc2ccc3cccnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSJBPUFITFGIJI-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(F)cc1)Nc1ccc2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUANMRKNZNTLW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDPJTYAWVACRLF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNGZXTZTOVOOF-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTJDXBTWYUQHY-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBRVFNHCGBVRI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMFZIBTWUXVGR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(OCCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZBHDSJLMMTMCW-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEKVDGYUOYSQSQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(OCc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPZRNGJSFPAGOQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(OCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQVLECCWPNEEI-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(OCC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOITLAQAARCHO-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2cc(C(=O)NO)nn2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFRZCRFKJPGKIY-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2cc(C(=O)NO)nn2-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KORSNGSSBDCTFR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(-c2ccccc2)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQBFRRWBDQZSJG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWTRUAFTZYLULJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAHOUKNRSPPSGU-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHLCGVVTKWFAA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTFKJKDLVYDZQN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)NO)cc2-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXBPFJLRNPHGD-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NO)nn(-c2ccc(Cl)cc2)c1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GILULBWPCZQPAN-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NO)nn(-c2ccc(Br)cc2)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQIGVPVELQPSKW-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NO)nn(-c2ccc(F)cc2)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOQAWYQOHPLKY-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NO)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJIXEBCDZEPOR-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NO)nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5518049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTVIHKZBZKSCMT-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NO)nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKIDRJMPMWQUBJ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NO)nc(-c2ccc(Cl)cc2)n1-c1ccc(Br)cc1"]}
{"name": "Sphingomyelin phosphodiesterase", "xref": ["CHEMBL.TARGET:CHEMBL4295808"], "id": "UniProtKB:Q0VD19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5288063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWYYYYAFACTHMV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXDQHINYVSJAE-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCS(=O)(=O)OC1CC(OP(=O)(O)O)C(P)C(OP(=O)(O)O)C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNJICBWFXSGAIS-UHFFFAOYSA-N", "SMILES:CCOc1ccc2c(=O)cc(-c3cc(Br)cc4c3OCOC4)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEQSUVWYBZMLJ-OEAKJJBVSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRLXYYPZEZQDPC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2csc(N/N=C3\\C(=O)Nc4ccccc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWQYFGLLMOLKL-ZZIIXHQDSA-N", "SMILES:Cn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N/N=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFRAGSWBWSOELF-UHFFFAOYSA-N", "SMILES:CC1=CC(c2ccccc2)n2nc(NC(=O)CCCc3ccc(C)cc3)nc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGGKYACIGQYRDW-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4211455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSMBZPPQXBDRL-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc2c(c1OC(=O)c1ccccc1)C(=O)c1ccccc1C2=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDOGCOJBTYLVHY-UHFFFAOYSA-N", "SMILES:O=C(Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGSMPRCBDRXVMJ-UHFFFAOYSA-N", "SMILES:O=c1oc(-c2ccc(O)c(O)c2)nc2sc3ccccc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1958265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGNJYQFJDSQAGT-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2/C1=N/Nc1nc(-c2ccc(O)c(O)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFYMHFFOURENTM-ISLYRVAYSA-N", "SMILES:COc1c(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZRBMPVMHRJKST-UHFFFAOYSA-N", "SMILES:O=C1Cc2ccc(C3CCCO3)cc2C(=O)N1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKOJFUOXYAAPIU-LGJNPRDNSA-N", "SMILES:COc1ccc(-c2cccc(C(N)=O)c2)cc1/C=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOPERZEGKBKAY-RGVLZGJSSA-N", "SMILES:COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5560231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHONUWNAKKJDIE-BUVRLJJBSA-N", "SMILES:COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKXCHVPNZNKJDE-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)cc(O)c(=O)c(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWUMIBJZOADWOP-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)cc(OC)c(=O)c(O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOVFUFBPQIPOY-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMXBAAOXIMWAW-UHFFFAOYSA-N", "SMILES:Nc1nn(C(=O)c2ccc(Cl)cc2)c(N)c1C(=S)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXOCIODBCOEAPN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(OC(=O)c2ccc(C(F)(F)F)cc2Nc2cc(Cl)ccc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3127521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YERMBKYNILMCNC-UXHICEINSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)[C@H]1C[C@@H]1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIPIXKZAQGWEHR-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ncc2cc(COc3ccc(C(=O)NCc4cccnc4)cc3)n(CCC3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFFWKXDUNGUFER-RTWAWAEBSA-N", "SMILES:O=C(Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[C@H]1C[C@@H]1c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJEMULVTABPFFN-RVHYNSKXSA-N", "SMILES:C[C@H](NC(=O)C1CCOCC1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYLNZJSYZFVFY-ZFCZOSEKSA-N", "SMILES:C[C@H](NC(=O)[C@@H]1CCCN1C)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4209341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYJLMYYHXNEWLF-USCONSEESA-N", "SMILES:C[C@H](NC(=O)c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSMXFVTTLWJGR-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cn(-c3cccc(C(=O)NCCCCCCCn4cc(-c5cccnc5)nn4)c3)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECAVYICMBEKBJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCn1cc(-c2cccnc2)nn1)c1cccc(-n2cc(CN3CCC(O)CC3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3586462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHHSCLARESIWBH-UHFFFAOYSA-N", "SMILES:CC(C)(O)CS(=O)(=O)Nc1ccc2c(c1)CCN(C(=O)COc1cccnc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEURYPGGDXLUKK-ATIZSFMBSA-N", "SMILES:COC[C@H]1N[C@@H](c2ccc(NC(=O)c3ccc(CNS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)[C@H](OC)[C@@H]1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJLZXBIJVTIKV-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPFABYKFPAIDRU-UHFFFAOYSA-N", "SMILES:CC(C)CCN(C(=O)COc1ccccc1)c1ncc(C(=O)NCCCn2ccnc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQXEIJEBCQNQZ-IONAWPRUSA-N", "SMILES:Cc1ccc(C(=O)N(CCCNC(=O)CCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)[C@@H](C2=Nc3cc(Cl)ccc3CN2Cc2ccccc2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3311227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCEHACHJIXJSPD-FQEVSTJZSA-N", "SMILES:O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJDSMAHFPFFPMR-BJOHPYRUSA-N", "SMILES:C[C@@H](c1ncncc1F)[C@](O)(Cn1cnnn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3310995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJSIDAFXZGMWSO-UHFFFAOYSA-N", "SMILES:OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVJYAAPLKJZDML-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2ccc(NCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXNRZXJSXPGATA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKJHYZBPVYGOH-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1Cc1cn(Cc2ccccc2Br)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOAJJVZMFZBEDX-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1Cc1cn(Cc2ccc(Br)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRWIGGCVAJCRE-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1Cc1cn(Cc2ccccc2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVAEQYIVGLLBB-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1Cc1cn(Cc2cccc(Cl)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQLDHSSAHDQOQ-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1cn(Cc2ccc(Br)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEGADSKMIKMYHU-GZIVZEMBSA-N", "SMILES:NC(=S)N/N=C/c1ccc(OCc2cn(Cc3ccc(Cl)c(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWEKXFBOENHSJM-ZVBGSRNCSA-N", "SMILES:NC(=S)N/N=C/c1ccc(OCc2cn(Cc3ccc(F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZUPULOSLYNSX-UFFVCSGVSA-N", "SMILES:Cc1cccc(Cn2cc(COc3ccc(/C=N/NC(N)=S)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIPYTEVLGCSOLH-UFFVCSGVSA-N", "SMILES:Cc1ccc(Cn2cc(COc3ccc(/C=N/NC(N)=S)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDDZBESTKWBCGV-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NC(=O)N2CCN(Cc3ccccc3N3CCCC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJGVXVZUSQLLJB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKSZDRWABGJUAF-CFRMEGHHSA-N", "SMILES:O=C1/C(=N\\Nc2ccccc2)C(C(F)(F)C(F)(F)F)=NN1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGMYZGOTNIHHEI-IBGZPJMESA-N", "SMILES:O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)Nc1cccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPIPFLXHBUHGC-NTUHNPAUSA-N", "SMILES:COc1cc(CNC(=O)COC(=O)/C=C(\\C)CC=C(C)C)c(I)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCAQTHNVCSZPOD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC(=O)OCC(=O)NCc1cc(OC)c(O)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKTZXNLNNAEWGF-UHFFFAOYSA-N", "SMILES:O=C(C(c1ccccc1)N1C(=O)CCC1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511995", "category": ["biolink:ChemicalEntity"], "name": "LIQUIRITIN", "xref": ["InChIKey:DEMKZLAVQYISIA-ZRWXNEIDSA-N", "SMILES:O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5555026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHDZPWGOHOWROD-UHFFFAOYSA-N", "SMILES:CCC1(CC)CC(NC(=O)Nc2cccc3c(C)nccc23)c2cc(F)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4301633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVEZHZVGDONTIH-HXUWFJFHSA-N", "SMILES:C[C@@H]1CCCN1Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)ccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTNNEMKUXXDIAB-UHFFFAOYSA-N", "SMILES:CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3ncccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZHDABLSSVGCNR-CPNJWEJPSA-N", "SMILES:O/N=C/CCc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSOPOAVBLBEYOL-WBWKYDSYSA-N", "SMILES:C=Cc1cc([C@@H](C)NC(=O)/C(C)=C/c2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPPNKMJIMLJIKT-XZOQPEGZSA-N", "SMILES:Oc1cc2c(cc1O)[C@@H]1c3ccc(OCc4ccccc4)cc3OC[C@]1(O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHWITXJJBWXTN-XZOQPEGZSA-N", "SMILES:Oc1cc2c(cc1O)[C@@H]1c3ccc(OCc4ccccc4F)cc3OC[C@]1(O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNQVNPOOWLTMRQ-XZOQPEGZSA-N", "SMILES:Oc1cc2c(cc1O)[C@@H]1c3ccc(OCc4cccc(F)c4)cc3OC[C@]1(O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWNRLADFNHLRG-XZOQPEGZSA-N", "SMILES:Oc1cc2c(cc1O)[C@@H]1c3ccc(OCc4ccc(F)cc4)cc3OC[C@]1(O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJKVIXHMJFUBFG-ZWKOTPCHSA-N", "SMILES:CC(=O)Oc1ccc2c(c1)OC[C@]1(O)Cc3cc(O)c(O)cc3[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241608", "category": ["biolink:ChemicalEntity"], "name": "CALYCOSIN", "xref": ["InChIKey:ZZAJQOPSWWVMBI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5557428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMNGRFNRCRQDC-XMMPIXPASA-N", "SMILES:CCCCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STUPZLLUFKATQA-QGZVFWFLSA-N", "SMILES:CCCCCCCCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IACQCQDWSIQSRP-ZCFIWIBFSA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYVDPDVTJNKHGP-KFEYOMHZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O"]}
{"name": "E3 ubiquitin-protein ligase UBR1", "xref": ["CHEMBL.TARGET:CHEMBL6066245"], "id": "UniProtKB:Q8IWV7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRJOZUOMXHCMP-XSBYXYHJSA-N", "SMILES:C[C@@H](OP(=O)(O)O)[C@@H]1NC(=O)[C@H](Cc2cncn2CCCCCCCCc2ccccc2)NC(=O)[C@@H](NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCC(=O)NCCCC[C@@H](C(N)=O)NC1=O"]}
{"name": "E3 ubiquitin-protein ligase UBR2", "xref": ["CHEMBL.TARGET:CHEMBL6066414"], "id": "UniProtKB:Q8IWV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLBMAFSTWVZNF-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3cc(F)c(-c4cn(C)c5ncnc(N)c45)cc3F)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIDYHCZPHOBNJX-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cn(C)c5ncnc(N)c45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGWRBZQWICYIKF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEZIPOVSVORTQR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cn(C)c5ncnc(N)c45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRTXYGPAXDSPW-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cn(C)c5ncnc(N)c45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONQSFNDQYRIZPM-UHFFFAOYSA-N", "SMILES:CCCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cn(C)c5ncnc(N)c45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCAIMMWCJNNYAV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(Nc3nccc4c3c(=O)c(-c3ccc(F)cc3)cn4CC3CC3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YABJAQNNPYSMKZ-UHFFFAOYSA-N", "SMILES:COCCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cn(C)c5ncnc(N)c45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEXEOUNJWEBAB-UHFFFAOYSA-N", "SMILES:C=CCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cn(C)c5ncnc(N)c45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VESFGXJFDKPFQK-UHFFFAOYSA-N", "SMILES:C#CCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cn(C)c5ncnc(N)c45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJDQHROLAQSYHM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc(N)c(-c3ccc(Nc4nccc5c4c(=O)c(-c4ccc(F)cc4)cn5C(C)C)cc3F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJUMVPLOLZWEX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(N)c(-c3ccc(Nc4nccc5c4c(=O)c(-c4ccc(F)cc4)cn5C(C)C)cc3F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRXBXCDTVFXBIK-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cc(-c5cnn(C)c5)cnc4N)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKCMMZOYGZIQQC-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cc(-c5cnn(C6CC6)c5)cnc4N)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYUKCQISCJQTL-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2cnc(N)c(-c3ccc(Nc4nccc5c4c(=O)c(-c4ccc(F)cc4)cn5C(C)C)cc3F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLTUFMZLUAAHEP-MHZLTWQESA-N", "SMILES:CC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cc(-c5cnn(C[C@H]6COCCO6)c5)cnc4N)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNFNPUQNSSHFC-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cc(-c5cnn(Cc6ccccc6)c5)cnc4N)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYSHIXJEDLNWDN-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4c[nH]c5ncnc(N)c45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFFSUGPQLBRJC-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc(Nc3nccc4c3c(=O)c(-c3ccc(F)cc3)cn4C(C)C)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYLCHOLFKWVYHX-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cn(C5CCN(C)CC5)c5ncnc(N)c45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GASTXCHHRYROTN-UHFFFAOYSA-N", "SMILES:COCCn1cc(-c2ccc(Nc3nccc4c3c(=O)c(-c3ccc(F)cc3)cn4C(C)C)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIJSMRZEVISAQ-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cccc5c4c(N)nn5C)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPGJHVLYQZEPJ-UHFFFAOYSA-N", "SMILES:CCNc1cc(-c2ccc(Cc3nc4c(C(N)=O)cccc4[nH]3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHXQYSSALOBPEV-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(Cc4nc5c(C(N)=O)cccc5[nH]4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REEBRVWOILNLAL-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(Cc4nc5c(C(N)=O)cccc5[nH]4)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFLFWMEOBDHDD-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDZWDMYQRCVLA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)cc3c2cnn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPKUGTVSJRIBAR-UHFFFAOYSA-N", "SMILES:CCNc1cc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLEVTVJIEUZSLE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(Cc3nc4c(C(N)=O)cccc4[nH]3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZLBPRGXPSOUJK-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc(-c2ccc(Cc3nc4c(C(N)=O)cccc4[nH]3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVEJJPRKGPRJKU-UHFFFAOYSA-N", "SMILES:CCn1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(Cc4nc5c(C(N)=O)cccc5[nH]4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNOGQAFLZUKVFV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDKOQSLGAXMGCH-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMPJJOZINHNHQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)cc3c2ccn3C(C)C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMQQYHCWAATFPF-QYFJXPQUSA-N", "SMILES:COc1ccc(/C=C/C(=O)CCCCN2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c(OC)ccc(c34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEHJJIONGZSTBU-GRSRPBPQSA-N", "SMILES:O=C(/C=C/c1cc(O)c(O)cc1O)CC(=O)/C=C/c1cc2ccc(O)c(O)c2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDRABVDEQUAJNH-UHFFFAOYSA-N", "SMILES:CC(=O)NOC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOHJNOAGHMOINK-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)ONC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJNBCKNHXQVKO-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)NOC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJGHMQOAVFHGV-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccccc1)NOC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWBTYANYURRMSQ-UHFFFAOYSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)NOC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORCHZWXEPSOMDD-UHFFFAOYSA-N", "SMILES:CCOC(=O)ONC(=O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYUYEOLBKHZWEI-UHFFFAOYSA-N", "SMILES:CCOC(=O)ONC(=O)CC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJCGACZCHZHULS-UHFFFAOYSA-N", "SMILES:CCCCCOC(=O)ONC(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFHWNZNBKPKTKS-UHFFFAOYSA-N", "SMILES:CCCCCOC(=O)ONC(=O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJDHBJUPJIJNAM-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)ONC(=O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKNBCISADIBET-UHFFFAOYSA-N", "SMILES:O=C(OCc1ccccc1)ONC(=O)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLIMXUDAVNTPNG-UHFFFAOYSA-N", "SMILES:O=C(CCC1CCCCC1)NOC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDPKCBNRBKFJB-UHFFFAOYSA-N", "SMILES:CCOC(=O)ONC(=O)CCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTMKJXIUTMNOTI-UHFFFAOYSA-N", "SMILES:CCOC(=O)ONC(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKDZCKKDZRIFSZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)ONC(=O)C(CC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHOTXXHLTQYDGT-UHFFFAOYSA-N", "SMILES:CCCCCOC(=O)ONC(=O)C(CC)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEHSBUWJEACVCX-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)ONC(=O)CCC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOBZUBFLEZCGDY-UHFFFAOYSA-N", "SMILES:CC(C)COC(=O)ONC(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAXAFUDRXJYBC-OPQQBVKSSA-N", "SMILES:COC(=O)CC[C@@]1(C)[C@@H]2C=C(C(=O)O)CC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMHZCBUHIIKRC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)NO)cc3)c3[nH]c(=O)n(-c4cccnc4OC)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKNTFSIFKPADB-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUDXPVXEQTMAS-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDBRLACAIMORGF-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBOPOZPKHGNFIG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(CC2CC2)C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEUPGZGZKMWZDV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(CC2CCCCC2)C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYYSFLYMIIWLMK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCCVBYNGWNEDR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYTWPVVIHLVBAC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2cccs2)C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMWKPDPUTSYGTR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(Cc2cccc3ccccc23)C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJUDAGDBPIZYDX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN(CC23CC4CC(CC(C4)C2)C3)C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQRXVWVHTXKXCR-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(O)cc2-c2ccoc2)c1"]}
{"name": "E3 ubiquitin-protein ligase pellino homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL6066217"], "id": "UniProtKB:Q96FA3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHWZULQJVNOBJE-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(O)cc2-c2ccsc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRLWWKNHFQXNKI-VOTSOKGWSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(O)cc2-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDBIQPVFKOXIG-SNAWJCMRSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(O)cc2-c2cccc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYISBJACILIUNE-OWOJBTEDSA-N", "SMILES:Oc1ccc(-c2cc(O)ccc2/C=C/c2cc(O)cc(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDPRICZISHHTMH-SNAWJCMRSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2cc(O)ccc2/C=C/c2cc(O)cc(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLODZAUEAYITNE-ZMVSMXTFSA-N", "SMILES:NC(=O)/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGLLJXDSACOGW-QGZVWANCSA-N", "SMILES:CNC(=O)/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVXJTIUQTMVOHH-PBOULFJWSA-N", "SMILES:CCCNC(=O)/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJFASSNJKSQWDV-PBOULFJWSA-N", "SMILES:CN(C)C(=O)/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APYLTCLRQGRYDG-NNMZAIBHSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHCOUNBLHGWXQK-MQQKCMAXSA-N", "SMILES:C/C=C/C(=O)Nc1cc(O)ccc1/C=C/c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFVVSNRBZPGREJ-JMFBPXTISA-N", "SMILES:O=C(/C=C/c1ccccc1)Nc1cc(O)ccc1/C=C/c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5413594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMIJAGFHVFMNY-MQQKCMAXSA-N", "SMILES:C/C=C/C(=O)Nc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2136039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFGGQMYSOLVBLF-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454533", "category": ["biolink:ChemicalEntity"], "name": "NICOTINANILIDE", "xref": ["InChIKey:NYQXIOZBHWFCBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1797870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXLTSSPACJLEG-BQYQJAHWSA-N", "SMILES:CNC(=O)/C=C/c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5532367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHJUPZMDECACLB-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nccc2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACQPTMMUXGSWJL-UHFFFAOYSA-O", "SMILES:CCn1c(CNC(=O)c2nc(Cl)cnc2N)[n+](CCO)c2cc(OCC(=O)N3CCN(C(C)=O)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTCSFQKNADGEY-UHFFFAOYSA-O", "SMILES:CCn1c(CNC(=O)c2nc(Cl)cnc2N)[n+](CC)c2ccc(C(=O)N(C)CCN(C)C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFDGNQMYMFCUKU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2ccc(C(=O)c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDCDKSKBWZNQH-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccsc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTBDBUQXOMOFPR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1sccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJGJXHQLDLMQGS-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(Cl)c(Nc3ccsc3C(=O)NO)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAAJECHPFBWVIJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1sccc1Nc1nc(Nc2cccc(N3CCOCC3)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBHAKJWIPATPSB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1sccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVLVERRPTYEIJK-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1sccc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEVSFRZEBCEKQQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOSYHWJBDGYCH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1nc(Nc2ccc(CN3CCOCC3)cc2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCQZEPKDGIFVIM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVHJKPKEWNXNME-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1nc(Nc2ccc(OCCN3CCOCC3)cc2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVDIEXUFNOCBA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZHBFEAIMNXHEZ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(Cl)c(Nc3sccc3C(=O)NO)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTACNQGXPBSWNN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1nc(Nc2cccc(N3CCOCC3)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGAPFIIMUCHBHJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGKWZVULLAOBP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1nc(Nc2ccc(CN3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZEVZHJNDVUUFP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUHNPUDVAXVGHG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1nc(Nc2ccc(OCCN3CCOCC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBZZKDSLEVSTLH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccsc1Nc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYCZBZWOFWADHA-UHFFFAOYSA-N", "SMILES:Oc1cc(O)c2c(c1)CC(c1cc(O)c(O)c(O)c1)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVLFVQPIHOGADN-UHFFFAOYSA-N", "SMILES:COc1cc2c(c(OC)c1)CN(C(=O)c1cc(O)c(O)c(O)c1)C(c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEZIXLWFZJDUDN-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1Cc2c(O)cc(O)cc2CC1c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSGWDOYCBKDRJP-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1Cc2c(O)cc(O)cc2CC1c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZTZWJRACUQJK-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)c(O)c(O)c1)N1Cc2c(O)cc(O)cc2CC1c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPRYMNRPCLNLAQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWTBZAOMUBHIAG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cncc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBHRMBTXAQKWCM-UHFFFAOYSA-N", "SMILES:CCc1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)nccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSYGEUBHRQSEW-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJXFNWCFHFBBNQ-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBFCYDCTKBRDW-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccc3c(c2)CCN3C(=O)CCc2ccccc2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLFGYUTHBSYAM-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBPKPTATKMZTMP-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2ccc3c(c2)OCO3)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVCMKHGIWNGAW-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2ccc(OC(F)(F)F)cc2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEBGTRGXBXHRGU-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJDRJHHOPJYPJ-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(C(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPCBIGUZHCZTM-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccc3c(c2)CCN3C(=O)CCc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWLBPDFZHXLZCS-UHFFFAOYSA-N", "SMILES:CCn1nc(-c2ccc3c(c2)CCN3C(=O)CCc2cccc(C(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVAFPQFQSSCZBQ-UHFFFAOYSA-N", "SMILES:Cn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOALKJYBDKGQOB-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XABLRCIXZQGRRJ-UHFFFAOYSA-N", "SMILES:CC(C)Cn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYNXRCFZIYJHIB-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(OC(F)(F)F)c1)nn2CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGHKLKPPCMDPM-UHFFFAOYSA-N", "SMILES:CCCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCAAXVMUMZQPMA-UHFFFAOYSA-N", "SMILES:CCCCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFESCBSFHLJETJ-UHFFFAOYSA-N", "SMILES:CC(C)=CCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYWUFMEHRFCIO-UHFFFAOYSA-N", "SMILES:CC(C)CCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWZCWULIGQIQHI-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(OC(F)(F)F)c1)nn2CCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLNCWSMVOOMNTB-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(OC(F)(F)F)c1)nn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSCSCXZXXALQJP-UHFFFAOYSA-N", "SMILES:CC1(Cn2nc(-c3ccc4c(c3)CCN4C(=O)Cc3cccc(OC(F)(F)F)c3)c3c(N)n[nH]c(=O)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNZKMQSFBWHANH-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(OC(F)(F)F)c1)nn2CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSGXJPMHUCXKNX-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(OC(F)(F)F)c1)nn2CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNKRHAGHMQMQS-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(OC(F)(F)F)c1)nn2CC1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAHGOBLSDYZEBZ-UHFFFAOYSA-N", "SMILES:CC1(Cn2nc(-c3ccc4c(c3)CCN4C(=O)Cc3cccc(OC(F)(F)F)c3)c3c(N)n[nH]c(=O)c32)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAQAFPIHXDXBDK-UHFFFAOYSA-N", "SMILES:CCC1(Cn2nc(-c3ccc4c(c3)CCN4C(=O)Cc3cccc(OC(F)(F)F)c3)c3c(N)n[nH]c(=O)c32)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUNKFVNXFFCES-UHFFFAOYSA-N", "SMILES:COCCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCABKUOZIGAQY-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(OC(F)(F)F)c1)nn2CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFPGZANEGIFNH-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(OC(F)(F)F)c1)nn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNYSYOKWVBRZLM-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(OC(F)(F)F)c1)nn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKSMFBOGDCRVRM-UHFFFAOYSA-N", "SMILES:CC(C)Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)n[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGBFMSNTGTZTB-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(OC(F)(F)F)c1)cn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFHZLTRBSZRXEH-UHFFFAOYSA-N", "SMILES:CC1(Cn2cc(-c3ccc4c(c3)CCN4C(=O)Cc3cccc(OC(F)(F)F)c3)c3c(N)n[nH]c(=O)c32)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJLZEFYNUCJINC-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(=O)c2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cccc(C(F)(F)F)c1)cn2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKGRUNTNCPVDR-UHFFFAOYSA-N", "SMILES:CC1(Cn2cc(-c3ccc4c(c3)CCN4C(=O)Cc3cccc(C(F)(F)F)c3)c3c(N)n[nH]c(=O)c32)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKOKBCGYSCUAD-FVVLAJERSA-N", "SMILES:CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](Cc1cccc3ccccc13)C(=O)NCC(=O)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKKCGLXULFRAET-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCN(S(C)(=O)=O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJXGQVUBJAUEEK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)c(C#N)c(-c3cccs3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXPDPZOVRQXPTL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3nc(NC(=O)NC4CCCC4)ncc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTBVOTPFSOMUEE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc2ncc(-c3cn[nH]c3)cc2n1)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CINQTZPMWMGMEH-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)n2c1cc1ccccc1c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMGTZFQVRSXIAS-UHFFFAOYSA-N", "SMILES:O=C1c2cc3ccccc3c(=O)n2C(=S)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSSOXVIDXCOIQ-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2nc2n1c(=O)c1cc3ccccc3c(=O)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLNKYPCFWWOBC-UHFFFAOYSA-N", "SMILES:COc1cc2nc3n(c(=O)c2cc1OC)c(=O)c1cc2ccccc2c(=O)n13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMMBGUDKHYSXMC-CAPFRKAQSA-N", "SMILES:O=c1/c(=C\\c2ccccc2)n2c(=O)c3ccccc3nc2n1CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBVWNAJISZDLCL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)Nc1ccc(C(C)=C(c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXTZZJWLMNPXJR-UHFFFAOYSA-N", "SMILES:CC(=C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMGYLHDIAXLPO-NKFKGCMQSA-N", "SMILES:CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHGHHOSSIWSCNC-QJOMJCCJSA-N", "SMILES:CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2cccc(Br)c2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJJNCYMPLWNHK-MOHJPFBDSA-N", "SMILES:CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccccc2OC)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKDEZKGOMOTBX-MOHJPFBDSA-N", "SMILES:CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccc(OC)cc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RABMVVODLIKPSL-QJOMJCCJSA-N", "SMILES:CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccc(Cl)cc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTDZJVWMSJACFF-PGMHBOJBSA-N", "SMILES:C/C(=C(\\c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIZZRCNDSMZLCF-QNGOZBTKSA-N", "SMILES:C/C(=C(\\c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJHCTYSJPURSLF-JWGURIENSA-N", "SMILES:COc1ccccc1/C(C)=C(/c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFADEIAJOWTISW-JWGURIENSA-N", "SMILES:COc1ccc(/C(C)=C(/c2ccccc2)c2ccc(NC(=O)C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBTYXUXIBZVDL-QNGOZBTKSA-N", "SMILES:C/C(=C(\\c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQLQRUOYKSQVIS-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)c1cn(CCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHQVKGQRECBLOE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)c1cn(CCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNKGSMCNCHXHP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)c1cn(CCCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXLQBWRNQIVOJV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)c1cn(CCCCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNLWQZHFXEYES-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)c1cn(CCCCCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAQWZHHAOEPRC-UHFFFAOYSA-N", "SMILES:CC(=C(c1ccccc1)c1ccc(NCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGUHPFAWOSMAQ-UHFFFAOYSA-N", "SMILES:CC(=C(c1ccccc1)c1ccc(NCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLZOQWPBWKNHET-UHFFFAOYSA-N", "SMILES:CC(=C(c1ccccc1)c1ccc(NCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOKWWRWIOIKWKA-UHFFFAOYSA-N", "SMILES:CC(=C(c1ccccc1)c1ccc(NCCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXZWAOSEAQQTMA-JYUHDHNASA-N", "SMILES:CCOC(=O)C(=O)c1cn(CCCCNc2ccc(/C(=C(/C)c3cccc(Br)c3)c3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMITZYRBCAIKBU-RLANJUCJSA-N", "SMILES:CCOC(=O)C(=O)c1cn(CCCCCNc2ccc(/C(=C(/C)c3cccc(Br)c3)c3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJJBMBOCPQEQCR-RLANJUCJSA-N", "SMILES:CCOC(=O)C(=O)c1cn(CCCCNc2ccc(/C(=C(/C)c3ccccc3OC)c3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMWYFCPWOWCNPW-FSUXQIQLSA-N", "SMILES:CCOC(=O)C(=O)c1cn(CCCCCNc2ccc(/C(=C(/C)c3ccccc3OC)c3ccccc3)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGFSKLFCKBZDIY-GIBOGKFOSA-N", "SMILES:C/C(=C(\\c1ccccc1)c1ccc(NCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUCCVGDUDWVUCP-NQUVTRGKSA-N", "SMILES:C/C(=C(\\c1ccccc1)c1ccc(NCCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESYLQQDVPVYMJ-NQUVTRGKSA-N", "SMILES:COc1ccccc1/C(C)=C(/c1ccccc1)c1ccc(NCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGLBNZTYFRAKH-JYUHDHNASA-N", "SMILES:COc1ccccc1/C(C)=C(/c1ccccc1)c1ccc(NCCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1740853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMCZLNBUBKWDRD-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4c(c3)CCCC4)nc12"]}
{"name": "Short transient receptor potential channel 6", "xref": ["CHEMBL.TARGET:CHEMBL1795081"], "id": "UniProtKB:Q61143", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUNQUFFBQHOPQO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(N(CCN)C(=O)c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUKRCFMLDTHFT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(N(CCN)Cc2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGHMVORNAOJCNE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(N(CCN)Cc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGFBZPECOLRSK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(N(CCN)Cc2cccc(OC(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXBZIBXFQXJZKJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(N(CCN)Cc2cc(F)ccc2Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYGYJEIWRRNVJW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(N(CCN)Cc2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKPVNQZWMUMTAV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(N(CCN)Cc2cccc3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWIAESQIGMUHEZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(N(CCN)Cc2ccc3cc(Br)ccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJWXLTGIGBBGOV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(N(CCN)Cc2ccc3ccccc3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRRBUCSKEXWIKX-UHFFFAOYSA-N", "SMILES:NCCN(Cc1cccc(C(F)(F)F)c1)c1nc(C(=O)NCCc2ccccc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJGGVOOONGFJA-UHFFFAOYSA-N", "SMILES:CCN(CC)CCC(=O)c1csc(N(CCN)Cc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWXXWTWRSIOQN-UHFFFAOYSA-N", "SMILES:CCN(CC)CCC(=O)c1csc(N(CCN)Cc2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKTIJZJOHLGMQZ-UHFFFAOYSA-N", "SMILES:NCCN(Cc1ccc2ccccc2c1)c1nc(C(=O)Nc2ccc(O)cc2)cs1"]}
{"name": "Short transient receptor potential channel 4", "xref": ["CHEMBL.TARGET:CHEMBL1741219"], "id": "UniProtKB:Q9QUQ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTPXUBJHFXJSMB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCC(c4ccc(N)nn4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJNTBRUPWHTJW-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(C)(C2C=C(O)N3N=C(C)C(c4ccc(F)cc4)C3=N2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMOUBBRNPNZPM-UHFFFAOYSA-N", "SMILES:CC1CC(C)CN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODUIXUGXPFKQLG-QWRGUYRKSA-N", "SMILES:Cc1sc(Nc2ccc(Cl)cc2F)nc1C(=O)N1CCC[C@H](C)[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLKRLNQEXBPQGQ-OZOXKJRCSA-N", "SMILES:N#Cc1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCC[C@@H](N)C2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDWLBNKHHJKPOQ-LDAQOBCYSA-N", "SMILES:C=C[C@@](C)(O)CC[C@H]1C(=C)C[C@H](OC(=O)NC)[C@H]2C(C)(C)CCC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6206", "category": ["biolink:ChemicalEntity"], "name": "BROMOENOL LACTONE", "xref": ["InChIKey:BYUCSFWXCMTYOI-ZRDIBKRKSA-N", "SMILES:O=C1O/C(=C/Br)CCC1c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2418809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGKQWFQQUMWVOB-UHFFFAOYSA-N", "SMILES:CC1CCCN(C(=O)c2nc(Nc3cc4c(cc3F)OCO4)sc2Cl)C1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVKKIBLLVHIRDV-JRGCBEDISA-N", "SMILES:N#Cc1ccc(O[C@@H]2c3ccccc3C[C@@H]2N2CCC[C@@H](N)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKNDKUMPPJBEQT-UHFFFAOYSA-N", "SMILES:O=c1nc(C(F)(F)F)[nH]c2c1nnn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDKGPBNXLRUAU-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]c(-c3ccc(F)cc3)cc(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDRXFLMZOBVZJM-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKBDSMWCIPFYKN-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOSIEFJXPLPXQF-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(=O)n3nc(C(F)(F)F)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1645503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZLIHGWFGWQVFH-UHFFFAOYSA-N", "SMILES:Cc1cc2[nH]c(-c3ccccc3)cc(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDVPTAHACXQGRQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(=O)n3nc(C)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLAQNWCXOYMYRL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(=O)n3nccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJEUKRWTBURNDI-UHFFFAOYSA-N", "SMILES:CCc1cc2[nH]c(-c3ccc(C)cc3)cc(=O)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCZXFQTAMFRET-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(=O)n3nc(C4CC4)cc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSLXSQKKGKTTCE-UHFFFAOYSA-N", "SMILES:CCn1c(-c2ccc(C)cc2)cc(=O)n2nc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXBMIQNTMZTAGI-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUSHYHXJHHQYKW-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cccc(Br)c2)[nH]c2cc(C(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWRYJGWIKJADZ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(C(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSIBISSZYFGRHK-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n2nc(C(F)(F)F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIOFITXIHPBADY-UHFFFAOYSA-N", "SMILES:O=c1cc(C(F)F)[nH]c2cc(C(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOKVLLUOECFCLD-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccn2)[nH]c2cc(C(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCVZFNKVXCVNSW-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cc(Br)ccn2)[nH]c2cc(C(F)(F)F)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYEHYQPAKKJQAD-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(Cn3ccnc3)c2)c(S(=O)(=O)Nc2nccs2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOGQRVWDGDPKHB-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(Cn3ccnc3)c2)c(S(=O)(=O)Nc2nccc(C(F)(F)F)n2)s1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJYXBHINXVGXJT-UHFFFAOYSA-N", "SMILES:Cc1nc(NS(=O)(=O)c2sc(CC(C)C)cc2-c2cccc(Cn3ccnc3)c2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYWVHKJNSVIFP-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(Cn3ccnc3)c2)c(S(=O)(=O)Nc2nccc(C(N)=O)n2)s1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMYJMIWYKSSYDQ-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(Cn3ccnc3)c2)c(S(=O)(=O)Nc2nccc(C#N)n2)s1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPHLNBWWDKYMNM-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(Cn3ccnc3)c2)c(S(=O)(=O)Nc2ncc(Br)cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXDUSMWHKYSQH-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(Cn3ccnc3)c2)c(S(=O)(=O)Nc2nc3ccccc3s2)s1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEJAJKHMJNCTAH-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(C(=O)Cn3ccnc3C(C)(C)C)c2)c(S(=O)(=O)Nc2nccs2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVDMNYKDRYOQME-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(C(=O)Cn3ccnc3C(C)(C)C)c2)c(S(=O)(=O)Nc2ncccn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZDNJJNRMYYFQW-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(C(=O)Cn3ccnc3C(C)(C)C)c2)c(S(=O)(=O)Nc2ncc(F)cn2)s1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHRNWMOJHRXCMZ-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(C(=O)Cn3ccnc3C(C)(C)C)c2)c(S(=O)(=O)Nc2ncc(Cl)cn2)s1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFKUWALKWHPCGV-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(C(=O)Cn3ccnc3C(C)(C)C)c2)c(S(=O)(=O)Nc2ncc(Br)cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMIBRQIDPZDOEQ-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(C(=O)Cn3ccnc3C(C)(C)C)c2)c(S(=O)(=O)Nc2ncc(C(F)(F)F)cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APINDIDEDNCXCM-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(C(=O)Cn3ccnc3C(C)(C)C)c2)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUXFMZJNRFIBKV-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(C(=O)Cn3ccnc3C(C)(C)C)c2)c(S(=O)(=O)Nc2ncc(C#N)cn2)s1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVGNVXXIZCOVGI-UHFFFAOYSA-N", "SMILES:CC(C)Cc1cc(-c2cccc(C(=O)Cn3ccnc3C(C)(C)C)c2)c(S(=O)(=O)Nc2ccc(C#N)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJFMLJQTZKPAMK-LTGZKZEYSA-N", "SMILES:CC(=O)O/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULBHZOSESWZSMP-LTGZKZEYSA-N", "SMILES:CC(=O)O/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(I)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZJSVICEGWSCL-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4ccc(CC)cc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIDJSSPSMPDBMV-HNNXBMFYSA-N", "SMILES:N#CN1CCC[C@H]1C(=O)N1CCc2c(-c3cn[nH]c3C(F)(F)F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYYUGUOJNVQZTQ-YTQUADARSA-N", "SMILES:COC(=O)CC[C@H](NC(=O)[C@H](C)NC[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBHZASWVKHGRE-BPXKWBHBSA-N", "SMILES:C#Cc1ccc(COC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OC)C(=O)CF)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHAUZFDWIZFRM-UHFFFAOYSA-N", "SMILES:CC(CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccc(CN)cc4)n(C)nc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKCRWSTGRHOGI-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)C1C=CCC1C(c1ccccc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUWSWYZBVAMUFX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2c(c1)C1C=CCC1C(c1ccc(O)cc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXQIPRWKLACSKZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXAGWREMCSWMF-HVATVPOCSA-N", "SMILES:C[C@H](CCC(=O)NO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPLCRNGGWSKTN-JYQLQLLISA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCC4CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)ccc3c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL330529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFYWXBSNMOKOK-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2nc3ccc(C)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVHWGSXBYTNNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(NCCOCCOCCOCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOEHTSMEZGGYRH-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CITKSRHOUMQGOI-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBZVNOVLFQGQE-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCDUTYLTCZZYNK-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKFIAQTYSSXBLO-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSOPGIUKPXFFZ-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRCAPNRYNCJHGV-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCKQPQUWLVIJS-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPULODTUUJOEED-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAGXMVCPBMRYBK-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRBNHDSHIMWGMC-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUDIXGAUQFAZPN-UHFFFAOYSA-N", "SMILES:CC(C)CCc1nc2c(N)nc3ccccc3c2n1CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLKOXGSZZUCGRH-UHFFFAOYSA-N", "SMILES:CCOCc1nc2c(N)nc3ccccc3c2n1CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWMUJPEKKDQOT-UHFFFAOYSA-N", "SMILES:COCCc1nc2c(N)nc3ccccc3c2n1CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAUXXLSIDIASM-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(N)nc3ccccc3c2n1CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAOLEENXPRVSKQ-UHFFFAOYSA-N", "SMILES:CCCCCc1nc2c(N)nc3ccccc3c2n1CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWNFBQYXRQBJAW-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2c1nc(CCC(F)(F)F)n2CC1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNMFLVAHXLWMKU-UHFFFAOYSA-N", "SMILES:CCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAIOOYNRWCWIRJ-QZBIDNBASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSC1CC(=O)N(CCOCCOCCOCc2cn(CCO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)nn2)C1=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBKXKUSEVZEBGS-PFJXJFPESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSC1CC(=O)N(CCOCCOCCOCc2cn(CCO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)nn2)C1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUIXLJCWKUSRAI-GLDLLGMXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSC1CC(=O)N(CCOCCOCCOCc2cn(CCO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)nn2)C1=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDNLJOYWAJIUHZ-PRZWDFDDSA-N", "SMILES:[N-]=[N+]=NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJNCWZXVNXMGK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccccc2Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDUEYXOVLJGAR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)NCc2cc(F)ccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFBVBQBPNUXINS-NYNCVSEMSA-N", "SMILES:CCOC(=O)[C@]12CS[C@H](CS)N1[C@H](C(=O)O)CS2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARGYSAZOQRFRAG-XVMARJQXSA-N", "SMILES:O=C(O)[C@@H]1CS[C@H]2CS[C@H](CCS)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUBPOZYFYWFTB-RITPCOANSA-N", "SMILES:SC[C@H]1SC[C@@H]2SCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJULDICYPWWGAW-RQJHMYQMSA-N", "SMILES:SCC[C@H]1SC[C@@H]2SCCN21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCMKJVCMSTCBQ-RNJXMRFFSA-N", "SMILES:CCOC(=O)[C@@H]1CS[C@H]2CS[C@H](CS)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPBWYDJERVKQSL-XQQFMLRXSA-N", "SMILES:O=C(NCc1ccccc1)[C@@H]1CS[C@H]2CS[C@H](CS)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSUIMTYGBDMSOU-TUAOUCFPSA-N", "SMILES:O=C(Nc1ccccc1)[C@@H]1CS[C@H]2CS[C@H](CS)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYDZSXARJQXRHX-MJBXVCDLSA-N", "SMILES:COc1ccc(CNC(=O)[C@@H]2CS[C@H]3CS[C@H](CS)N32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFJBLCMRIBTFDK-TUAOUCFPSA-N", "SMILES:Nc1ccccc1NC(=O)[C@@H]1CS[C@H]2CS[C@H](CS)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXPHBZPNOGTNT-YIZRAAEISA-N", "SMILES:Nc1nc(COC(=O)[C@@H]2CS[C@H]3CS[C@H](CS)N32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHIDJKVVUTYYRQ-RNJXMRFFSA-N", "SMILES:NCCOC(=O)[C@@H]1CS[C@H]2CS[C@H](CS)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJNFRRKBNWOGDI-AXFHLTTASA-N", "SMILES:CC(C)(C)OC(=O)NCCOC(=O)[C@@H]1CS[C@H]2CS[C@H](CS)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEJQWEINVXTSHQ-ZJUUUORDSA-N", "SMILES:SC[C@H]1SC[C@@H]2Sc3ccccc3N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBXWHODMWKJRIF-NXEZZACHSA-N", "SMILES:SC[C@H]1SC[C@@H]2Nc3ccccc3N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAEYDSHIXXLWTJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZLJYCDCRDWJI-UHFFFAOYSA-N", "SMILES:COc1cnc(C(F)F)cc1-c1cc(N2CCC(C)CC2=O)ncc1C(=O)Nc1nnc(C#CC2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMNMLMBRNKHGO-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OC2CC3(C2)CN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQJSUVHFKKUGJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OC2CC3(CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTZATGJVFVXXLB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCC2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPOOFIMDZHEQI-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CC3(CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTWLDWAFEKZNCC-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CC3(CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCDDGLQXPSLUFX-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CC3(CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWTOWBOMDHKCDB-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCVXMOZAMXPQL-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnccc1C(=O)Nc1nnc(N2CC3(CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)C2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGXQHSNYNHMAB-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnccc1C(=O)Nc1nnc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTCBERHGQFMCOG-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnccc1C(=O)Nc1ncc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJFXISLENEKBY-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cnccc1C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKUPYURCCEDDL-ULIFNZDWSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERJLIPLOPRLEM-NVQSTNCTSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSHYVPGMAAHSJ-BSRQYYOTSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKQIVZRPBBDMHY-QNEJGDQOSA-N", "SMILES:COc1ccc(/N=N/c2cc(-c3cc(OC4CCOCC4)c4ncnc(C)c4c3)cnc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGORFEYMKUPCBI-QNEJGDQOSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYBUDWDRHFVAM-QNEJGDQOSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVMNYOKQJCSAR-QNEJGDQOSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYOCFYIHSSQCQ-QNEJGDQOSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQHUMXGMSNOHSE-QNEJGDQOSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBTBNXNGZHLTOI-QNEJGDQOSA-N", "SMILES:COc1ccccc1/N=N/c1cc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYRJQRFJSEGCU-BSRQYYOTSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZEXKBDENWMPFV-ULIFNZDWSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADQOEPONWQIRY-ULIFNZDWSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPNWDPDDCUMRY-ULIFNZDWSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWNROGQNHTRNL-ULIFNZDWSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKUPYURCCEDDL-KARKAFJISA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERJLIPLOPRLEM-KTMFPKCZSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSHYVPGMAAHSJ-KRYSQPQISA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKQIVZRPBBDMHY-MVJHLKBCSA-N", "SMILES:COc1ccc(/N=N\\c2cc(-c3cc(OC4CCOCC4)c4ncnc(C)c4c3)cnc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGORFEYMKUPCBI-MVJHLKBCSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYBUDWDRHFVAM-MVJHLKBCSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOVMNYOKQJCSAR-MVJHLKBCSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIYOCFYIHSSQCQ-MVJHLKBCSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQHUMXGMSNOHSE-MVJHLKBCSA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBTBNXNGZHLTOI-MVJHLKBCSA-N", "SMILES:COc1ccccc1/N=N\\c1cc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYRJQRFJSEGCU-KRYSQPQISA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZEXKBDENWMPFV-KARKAFJISA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADQOEPONWQIRY-KARKAFJISA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPNWDPDDCUMRY-KARKAFJISA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWNROGQNHTRNL-KARKAFJISA-N", "SMILES:COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N\\c1ccc(F)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3291398", "category": ["biolink:ChemicalEntity"], "name": "LEFAMULIN", "xref": ["InChIKey:KPVIXBKIJXZQJX-FCEONZPQSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H](N)C[C@H]2O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"], "synonym": ["Lefamulin", "Lefamulin", "Lefamuline", "Lefamulina", "Lefamulin", "BC-3781", "Lefamulin"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5561773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWFCYTVJBGCRD-ODXCVMAQSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)Cn2cc(-c3ccc(Cn4cnc5c(N6CCNCC6)ncnc54)nc3)nn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4744370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMTJFLSWOWBXNC-GIIRGVGNSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)Cn2cc(-c3ccc(Cn4cnc5c(N6CCN(C)CC6)ncnc54)cc3)nn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUAIKHFMVIRLFL-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCC(CCP(=O)(O)O)CC3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNIXZRVPQQWMDC-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ncnc(N3CCC(CCP(=O)(O)O)CC3)c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVOHEIFKCHGXEJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCC(CCP(=O)(O)O)CC3)ncnc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOXRFNQWDUWKR-UHFFFAOYSA-N", "SMILES:Cn1c(=O)ccc2c(N3CCC(CCP(=O)(O)O)CC3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDWIXXTTWPICS-UHFFFAOYSA-N", "SMILES:CCn1c(=O)ccc2c(N3CCC(CCP(=O)(O)O)CC3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCCRETOBCGVSAW-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CC(CCP(=O)(O)O)C3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBZXSNMVHWBAH-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCC(CCP(=O)(O)O)C3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIMFGVORGPCDDJ-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCN(CCP(=O)(O)O)CC3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJHFLLSUJWIHB-MGCOHNPYSA-N", "SMILES:O=c1ccc2c(N[C@H]3CC[C@H](CP(=O)(O)O)CC3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQBOIUNEFOXMU-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCCC(CP(=O)(O)O)CC3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLWOTXXZZNSIN-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(NCCCCP(=O)(O)O)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTSDOZHRKNPMW-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(NCc3ccc(P(=O)(O)O)cc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFAWGLLQGSBAW-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(NCc3ccc(CP(=O)(O)O)cc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLPZJJNYPURPMB-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCC(CP(=O)(O)O)CC3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILLZRZXKMWJDN-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCC(CCCP(=O)(O)O)CC3)cccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFVFJDDZZEUDD-UHFFFAOYSA-N", "SMILES:CC1(CCP(=O)(O)O)CCN(c2ncnc3[nH]c(=O)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIGMBCNICFGKO-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCC(F)(CCP(=O)(O)O)CC3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXCPDXJYONNJT-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCC(O)(CCP(=O)(O)O)CC3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWFKMFSJROXJF-UHFFFAOYSA-N", "SMILES:COC1(CCP(=O)(O)O)CCN(c2ncnc3[nH]c(=O)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRYHUEJTAZSQSW-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCC(CCP(=O)(O)O)(C(F)(F)F)CC3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJRXFHPYPIKCE-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(N3CCC4(CC3)CC(CP(=O)(O)O)C4)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGOUGLKAOTADC-UIKWRGBMSA-N", "SMILES:O=c1ccc2c(N3C[C@@H]4[C@@H](CCP(=O)(O)O)[C@@H]4C3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRVGJMINXGLWIU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c[nH]c2c(NCc3ccc(B(O)O)cc3)nc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXQKBUFKIVUSI-YWWLGCSWSA-N", "SMILES:CCOc1cccnc1Cc1ccc([C@H](F)C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXEWXCGZPAPUTJ-WTNAPCKOSA-N", "SMILES:Cc1ccc([C@H](F)C(=O)N[C@H](c2ccc(C)c(OCC3(C#N)CC3)c2)[C@@H](C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGNPULBKHMWLA-NQERJWCQSA-N", "SMILES:Cc1ccc([C@@H](NC(=O)[C@@H](F)c2ccc(Cl)cc2)[C@@H](C)C(=O)O)cc1OCC(C)(C)C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXXYAKFEJYLOZ-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCO)nc(Nc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIRONBNFTJLPFY-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCO)nc(Nc2cccc(C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOBKVBMMKFMAHS-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCO)nc(Nc2cccc(-c3ccccc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTPHIOYWMANBF-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCO)nc(Nc2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAOQGYPYDAPNHH-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(CNCCO)cc(OC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZWVOWWZMUEQEE-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCO)nc(Nc2cccc(N3CCOCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWAHEQCCPLVBR-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCO)nc(Nc2ccccc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSXLXAFFYHGMNN-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCO)nc(Nc2ccc(O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBNBLHQDOAMPFE-UHFFFAOYSA-N", "SMILES:COC1C=C(CNCCNC(C)=O)N=C(Nc2cccc(O)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOABWYTGIGCFB-XDOYNYLZSA-N", "SMILES:CCN(c1ccccc1)c1n/c(=N/Cc2ccc(-c3ccccc3)o2)ss1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSNQKHRIXJCBNT-UHFFFAOYSA-N", "SMILES:O=c1cc(CNCCO)nc(Nc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMSLJUYTZJPHJ-UHFFFAOYSA-N", "SMILES:O=c1cc(CNCCO)nc(Nc2cccc(-c3ccccc3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJFVUSQMAJLJFN-UHFFFAOYSA-N", "SMILES:O=c1cc(CNCCO)nc(Nc2cccc(O)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJYNQHCOIYQTA-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBAZQFWWLPOOZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)CNCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVKRLJUMZZXOHG-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMSPOVPGDBDYKH-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQIQUBLIBQYSLO-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSKZDXHSTLCYPB-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUUHMSMNRANRDV-UHFFFAOYSA-N", "SMILES:NCC(=O)Nc1ccc(-c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYXITCJCQGOGU-SECBINFHSA-N", "SMILES:C[C@@H](N)C(=O)Nc1ccc(-c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWSLOFONLBZMC-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4301324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQIZQBKKQAFAJV-UHFFFAOYSA-N", "SMILES:NCCc1ccc(-c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL476516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZCXAOQVBEPME-UHFFFAOYSA-N", "SMILES:NCCc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3039772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKTHGMSYKKYNDW-UHFFFAOYSA-N", "SMILES:NCc1ccc(-c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNSITNJHKOQQS-UHFFFAOYSA-N", "SMILES:CN(C)CC(=O)Nc1ccc(-c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44201", "category": ["biolink:ChemicalEntity"], "name": "BIPHENYL-4-AMINE", "xref": ["InChIKey:DMVOXQPQNTYEKQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5567861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNQHJSASVRZTNG-NSHDSACASA-N", "SMILES:C[C@H](N)C(=O)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNYXBQCTTBKPJX-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2cccc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUHEBIOTFMLAJ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNEZTQUZHNWNLB-UTQUZDRDSA-N", "SMILES:C[C@H](CCCC1=C(O)CCC1=O)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"]}
{"name": "Nuclear hormone receptor isoform A", "xref": ["CHEMBL.TARGET:CHEMBL6066846"], "id": "UniProtKB:A0A0K0EQJ4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:6248"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIOLYSGEFAJCLB-PMKIZEJYSA-N", "SMILES:C[C@H](CCc1nn[nH]n1)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPAYNUJAWQWEQ-QZRDBKIZSA-N", "SMILES:C[C@H](CCc1nnn(C(C)(C)C)n1)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCHSCSUYPLQUME-CFPCMDDCSA-N", "SMILES:C[C@H](CCc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOMCJFLISYXJBY-WGOHMGPJSA-N", "SMILES:C[C@H](CCc1nnn(C)n1)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWJSHCKBJFDJM-KHKMNNDESA-N", "SMILES:C[C@H](CCCc1nnn(C)n1)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQTAVUCHOVVOFD-PTDIAZOFSA-N", "SMILES:C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5558148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYAMMLXARLTFPW-IQJMWHLXSA-N", "SMILES:C[C@H](CCC[C@H](C)C(=O)NS(C)(=O)=O)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGANGWWIEADRFA-SUAFBACZSA-N", "SMILES:C[C@H](CCC[C@H](C)C(=O)NS(=O)(=O)N(C)C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SECSNCHVWLYDJF-RXVMICOLSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)[C@@H](C)CCC[C@@H](C)[C@H]2CC[C@H]3C4=CC[C@H]5CC(=O)CC[C@]5(C)C4CC[C@]23C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNTAJTIFBOPDSY-NDQGGDPGSA-M", "SMILES:C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C)COS(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQORJPBJRGKRBH-HBNASBQXSA-N", "SMILES:C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFUQITHJXSTWRA-IQJMWHLXSA-N", "SMILES:CNC(=O)[C@@H](C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVFTUAXFCXJYHK-LBPRGKRZSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(C(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEFFFNZQJIYJPO-ZDUSSCGKSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ccc(C(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLXCPDKVSEZAC-LBPRGKRZSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2cnc(C(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYFJQYDGBNPLO-GRTSSRMGSA-N", "SMILES:C[C@@H](COCCC(=O)N1CC2CN(c3ncc(C(=O)NO)cn3)CC2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPNZKBPNAZNHSB-LBPRGKRZSA-N", "SMILES:C[C@@H](COCCC(=O)NC1CCN(c2ncc(C(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOAMWWAZQUCBSQ-LBPRGKRZSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCC(Nc2ncc(C(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEOLBQARHQIBTL-XLEXHMCLSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCC2(CCN(c3ncc(C(=O)NO)cn3)C2)C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBMNJILNLYDBC-NSHDSACASA-N", "SMILES:C[C@@H](COCCC(=O)NCCN(C)c1ncc(C(=O)NO)cn1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHFIJSMVRKYVAD-HNNXBMFYSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(C(=O)NCCCC(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYGANUXFIOAQPJ-INIZCTEOSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(C(=O)NCCCCC(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGHAKMSOKSZMH-KRWDZBQOSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(C(=O)NCCCCCC(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGVKBNNYDKZNJV-SFHVURJKSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEZOFXSIPYDBSM-KRWDZBQOSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(NC(=O)CCCCCC(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POVGYCDNSJRTOJ-SFHVURJKSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(NC(=O)CCCCCCC(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CALBKXVDMKLECC-IBGZPJMESA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(-c3cnn(CCCCCC(=O)NO)c3)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKUPYUFUIQRZCX-FQEVSTJZSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(-c3cnn(CCCCCCC(=O)NO)c3)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRJCYDQKIHFVQC-KRWDZBQOSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(OCCCCCC(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLOWVFFWIQMSQ-SFHVURJKSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(OCCCCCCC(=O)NO)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNJSCJYCINTTD-KRWDZBQOSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(OCc3ccc(C(=O)NO)cc3)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIFMDHUVYGGFCU-GHOSXJJBSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN(c2ncc(OCc3ccc(/C=C/C(=O)NO)cc3)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1549024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLCXWJKNVWWWOF-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cc[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGSROXDWGFGCB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2nccc(N)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVXQROOOFBQYEM-UHFFFAOYSA-N", "SMILES:Nc1ccnc2cc(C(=O)Nc3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLLZJBILIOZTFQ-UHFFFAOYSA-N", "SMILES:Nc1ccnc2cc(C(=O)Nc3cccnc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPEUFLBBMSSEJG-ZDUSSCGKSA-N", "SMILES:N[C@H]1CCCN(CCS(=O)(=O)Nc2cccc3cc[nH]c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDUEBREYSGTAT-AWEZNQCLSA-N", "SMILES:Cn1ccc2cccc(NS(=O)(=O)CCN3CCC[C@H](N)C3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZVYYWSQBYALRH-LBPRGKRZSA-N", "SMILES:Cn1cc(Cl)c2cccc(NS(=O)(=O)CCN3CCC[C@H](N)C3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPOLHVNEJMBRK-UHFFFAOYSA-N", "SMILES:Cn1cc(Cl)c2cccc(NS(=O)(=O)c3cnn(CCN)c3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYJMVYSNRQKME-UHFFFAOYSA-N", "SMILES:Cn1cc(Cl)c2cccc(NS(=O)(=O)N3Cc4ccc(CN)cc4C3)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEONYYDILYQIB-UHFFFAOYSA-N", "SMILES:NCCCc1cnc2c(-c3cccc(Cl)c3Cl)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKONIRQVPNDGTO-UHFFFAOYSA-N", "SMILES:Clc1cccc(-c2c[nH]c3cc(CN4CCNCC4)cnc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRQTWWMQTYMFK-UHFFFAOYSA-N", "SMILES:Cc1nc2c(-c3cccc(Cl)c3Cl)c[nH]c2cc1CN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEMVMKODENYREU-UHFFFAOYSA-N", "SMILES:Cc1nc2c(-c3ccc(C#CCO)c(Cl)c3Cl)c[nH]c2cc1CN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVYWLIGMKFZMH-UHFFFAOYSA-N", "SMILES:Cc1nc2c(-c3ccc4nn(Cc5cn[nH]c5)cc4c3Cl)c[nH]c2cc1CN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCUUPWRNYJFXIR-UHFFFAOYSA-N", "SMILES:Cc1nc2c(-c3ccc4nn(C)cc4c3Cl)c[nH]c2cc1CN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLGVQPXKBUIFTB-UHFFFAOYSA-N", "SMILES:Cc1nc2c(-c3ccc4c(cnn4C)c3Cl)c[nH]c2cc1CN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJIDFCLJHWNQX-UHFFFAOYSA-N", "SMILES:CCn1cc2c(Cl)c(-c3c[nH]c4cc(CN5CCNCC5)c(C)nc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJYYFZIOCXQLC-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)c[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MILWHDOMDJSFNB-XYYAHUGASA-N", "SMILES:N[C@@H]1C[C@H]2CC[C@@H](C1)N2c1cnc2c(-c3cccc(Cl)c3Cl)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVRPJTZKXRDMJL-CNDDSTCGSA-N", "SMILES:N[C@@H]1C[C@H]2CC[C@@H](C1)N2c1cnc2c(-c3cccc(Cl)c3Cl)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNTZAQBJAFMBB-XYYAHUGASA-N", "SMILES:Cn1cc2c(Cl)c(-c3c[nH]c4nc(N5[C@@H]6CC[C@H]5C[C@H](N)C6)cnc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNTZAQBJAFMBB-CLLJXQQHSA-N", "SMILES:Cn1cc2c(Cl)c(-c3c[nH]c4nc(N5[C@@H]6CC[C@H]5C[C@@H](N)C6)cnc34)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYXVBJHAHHLTCQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc2c(Cl)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHADOAJSBSXFFK-MGBGTMOVSA-N", "SMILES:O=C(O)[C@@H](CO)NCc1cc(Cl)c(OCc2cccc(-c3cccc(OCCCN(CCO)CCO)c3)c2Cl)cc1OCc1ccc2nonc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USKCYQMJJXHSPP-UUWRZZSWSA-N", "SMILES:O=C(O)[C@@H](CO)NCc1cc(Cl)c(OCc2cccc(-c3cccc(OCCCN4CCC(O)CC4)c3)c2Cl)cc1OCc1ccc2nonc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHGLSHXHMFDJX-UUWRZZSWSA-N", "SMILES:O=C(O)[C@@H](CO)NCc1cc(Cl)c(OCc2cccc(-c3cccc(OCCCN4CCC(O)CC4)c3)c2F)cc1OCc1ccc2nonc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDGTTXDVZGRPBW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nccc3[nH]nc(C4CC4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROLHVQUQHBWSLC-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(-c2nccc3[nH]nc(C4CC4)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJJQFYNTFYNDB-UHFFFAOYSA-N", "SMILES:[O-][n+]1ccc2[nH]nc(C3CC3)c2c1-c1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHDSSDGGQRRPCH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c(C4CC4)n[nH]c3cc[n+]2[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMHKPKFMPEIGT-UHFFFAOYSA-N", "SMILES:O=c1ccc2[nH]nc(C3CC3)c2n1-c1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSMJDKPCZVKNE-UHFFFAOYSA-N", "SMILES:N#Cc1cc2[nH]nc(C3CC3)c2c(-c2ccc(OC(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDTYNBYRIJBXFT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3[nH]nc(C4CC4)c3c(-c3ccc(OC(F)F)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTWWXAUUAZCEKL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3[nH]nc(C4CC4)c3n(-c3ccc(OC(F)F)cc3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEASMQZYZCGOSA-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3cc4[nH]nc(C5CC5)c4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLGMZPVBIWGFTL-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccccc2)cc2[nH]nc(C3CC3)c2n1-c1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKNVIYVNBQTXLQ-UHFFFAOYSA-N", "SMILES:O=c1c(-c2ccc(O)cc2)cc2[nH]nc(C3CC3)c2n1-c1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCFFVFWLFPSZQM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3[nH]nc(C4CC4)c3n(-c3ccc(OC(F)F)cc3)c2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVLCGUJSVAUAOI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3[nH]nc(C4CC4)c3n(-c3ccc(OC(F)F)cc3)c2=O)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIAITHFIFCYENS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3[nH]nc(C4CC4)c3n(-c3ccc(OC(F)F)cc3)c2=O)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTOPCQLDGBBKM-UHFFFAOYSA-N", "SMILES:Cn1cc2ccc(-c3cc4[nH]nc(C5CC5)c4n(-c4ccc(OC(F)F)cc4)c3=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRMVJYVCAJQYMR-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(-c3cc4[nH]nc(C5CC5)c4n(-c4ccc(OC(F)F)cc4)c3=O)cc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRFWGEYWCZWTLA-UHFFFAOYSA-N", "SMILES:Cn1nnc2ccc(-c3cc4[nH]nc(C5CC5)c4n(-c4ccc(OC(F)F)cc4)c3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGHZBQLUIXIGZ-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3cc4[nH]nc(C5CC5)c4n(-c4ccc(Cl)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBVUKSAKBZBKGX-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3[nH]nc(C4CC4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDRFQBOFZGCEP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3[nH]nc(C4CC4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLGFMQDGXBKCEU-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3cc4[nH]nc(C5CC5)c4n(-c4ccc(OC(F)F)nc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRKLNHGEODNRF-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3cc4[nH]nc(C5CC5)c4n(-c4ccc(OC(F)F)cn4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGQOBKCTVOOGX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3[nH]nc(C4CC4)c32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXFWSZOXZYQPQZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3[nH]nc(C4CC4)c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTLLRUNLPVUDFC-UHFFFAOYSA-N", "SMILES:CNc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3[nH]nc(C4CC4)c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZNBEUGBGPHULS-UHFFFAOYSA-N", "SMILES:Cc1ncc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3[nH]nc(C4CC4)c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXIUYXKLAIZJQ-UHFFFAOYSA-N", "SMILES:CCc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3[nH]nc(C4CC4)c32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUGQCXWNVPGBI-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3cc4[nH]nc(C5CC5)c4n(-c4ccc(CCO)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFFVLIOYYARBDI-UHFFFAOYSA-N", "SMILES:Cn1cc2cc(-c3cc4[nH]nc(C5CC5)c4n(-c4ccc(CO)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IREHPPDMYBJZHX-CQSZACIVSA-N", "SMILES:C[C@@H](O)c1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3[nH]nc(C4CC4)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHQHPQOOXLGAM-UHFFFAOYSA-N", "SMILES:CCc1n[nH]c2cc(-c3ccc4nn(C)cc4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYLWFXCIEGWANY-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cc(-c3ccc4nn(C)cc4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXOBNOBOZLZSD-OAHLLOKOSA-N", "SMILES:Cn1cc2cc(-c3cc4[nH]nc([C@@H]5CCOC5)c4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOKZYTSEPDMMBJ-UHFFFAOYSA-N", "SMILES:CCOc1cc2nc(C3CC3)cn2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBDJWECAFMOCCT-UHFFFAOYSA-N", "SMILES:CCOc1cc2nc(C(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVFPMARFVFJAD-UHFFFAOYSA-N", "SMILES:CCOc1cc2nc(C3(OC)CC3)cn2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRZMOHJGZLAROK-UHFFFAOYSA-N", "SMILES:CCOc1cc2nc(CCOC)cn2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIDWVFVGUHTFBL-UHFFFAOYSA-N", "SMILES:CCOc1cc2nc(CCCOC)cn2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJFHALJCAIWBCB-ZDUSSCGKSA-N", "SMILES:CCOc1cc2nc(C[C@@H]3CCOC3)cn2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUMXTONMSBGGNN-UHFFFAOYSA-N", "SMILES:CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZGFZDZKZXRBQZ-UHFFFAOYSA-N", "SMILES:CCOc1cc2nc(C34COC(C)(C3)C4)cn2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIKYVTSRACSQFR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIPPOHZGYKIKM-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWOPJMNALCIYIG-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHRJEXPGZLNELS-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGDQZVQHXVEVAF-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIWIGCUDVOVKT-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccc(C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUXFPOBDQJVHCM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDAWLASLQATTNQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROSWODTILCEFU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2ccncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDUNYRYIQJYBAL-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2cc(F)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICTKZBYXVQQXHY-UHFFFAOYSA-N", "SMILES:Cc1cnc2c(NC(=O)c3cn4cc(C56COC(C)(C5)C6)nc4c(F)c3OC(C)C)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4636197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQWEVQYPPXCIW-UHFFFAOYSA-N", "SMILES:CN1c2ccc(C(F)(F)F)cc2C(=O)C12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGQSWKJJGRZFBF-UHFFFAOYSA-N", "SMILES:O=C1N(c2ccc(C(F)(F)F)cc2)CCC12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGRXOQYVDWCZAG-UHFFFAOYSA-N", "SMILES:CN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USIJLANLTIUTFJ-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUVURNAXXDLBZ-UHFFFAOYSA-N", "SMILES:CC(C)N1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYJKEXILHPRXEL-UHFFFAOYSA-N", "SMILES:O=C1N(c2ccc(C(F)(F)F)cc2)C(=O)C2(CCN(CC3CCOCC3)CC2)N1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMISAZMEDOBEJT-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCN(CC3CCOCC3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCJNEQBTQGXTE-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(C(C)C1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBNHHVHVYQKMM-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(C1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHQWBJLVVAYRSW-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(C1CCCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPWAHHZQJCKLE-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(CC1CCS(=O)(=O)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYYFJYCTVTEJE-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(CC1(F)CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVGPFCFJZWOQPN-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2ccc(C)cc2)C(=O)C12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZCHIJXVPFEOW-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWQKGNAORRKIIL-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2ccc(C3CC3)cc2)C(=O)C12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTPJVJNOOGIFW-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2cccc(C3CC3)c2)C(=O)C12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBYVSNWTWDIGQE-UHFFFAOYSA-N", "SMILES:CCN1C(=O)N(c2cc(Cl)cc(C#N)c2)C(=O)C12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVFPHXKJIJZYOY-IYARVYRRSA-N", "SMILES:CCN1C(=O)N([C@H]2CC[C@H](C(F)(F)F)CC2)C(=O)C12CCN(CC1CCOCC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOKWHBPJDBETKL-FGZHOGPDSA-N", "SMILES:C[C@@H]1CN(Cc2ccc(C(=O)O)cc2)[C@H](C)CN1Cc1ccc(Oc2ccc(-c3ncco3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTRKXONZZLYWMT-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(-c3c[nH]cn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBIPBRJFAOFQK-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(-c3ncco3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZOVTNAHPRZVGA-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cc[nH]n2)cnc1Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL41864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGQSMRQYEPPNIA-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(-c3cc[nH]n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAEQGFYNMQTEEN-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(-c3ccn[nH]3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQQYNPNXGMUBH-UHFFFAOYSA-N", "SMILES:c1ccc(Oc2ccc(-c3ccn[nH]3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCHAOYVYDPAKBH-UHFFFAOYSA-N", "SMILES:c1cncc(Oc2ccc(-c3ccn[nH]3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQQGSFKDTZOKO-UHFFFAOYSA-N", "SMILES:c1cncc(Oc2ccc(-c3ccn[nH]3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYWZZDQHXQRZAO-UHFFFAOYSA-N", "SMILES:c1cncc(Oc2ccc(-c3ccn[nH]3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZAUVYWHEDBLBM-UHFFFAOYSA-N", "SMILES:OC1CCN(Cc2ccc(Oc3ccc(-c4ccn[nH]4)cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRJBRYNWJDFZCA-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(Oc3ccc(-c4ccn[nH]4)cn3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPMPKGDUNJXRJY-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(Oc2ccc(-c3ccn[nH]3)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMEPHEPWKPHPON-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc(Oc3ccc(CN4CCCC4)nc3)nc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYLUHNPNKNWVIS-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc(Oc3ccc(CN4CCCCC4)nc3)nc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRRMNZJUZRPHGN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(OCCN5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVLYHUFCIAZHEC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(NCCN5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDHDBWVVGLOOFK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(OC5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIZAGKWTJFKACS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(NC5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLBHAOCYUPABD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(N5CCC(NC(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POZQILOZTPZMDN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(NC5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)C5)ccc34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYDOUQLFUMDET-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(N5CCC(NC(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)C5)ccc34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKWXNXBFSIAXJW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(N5CCN(C(=O)c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)ccc34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKOUKZKFCAOXCG-UHFFFAOYSA-N", "SMILES:CC1CN(c2ccc3c(OCCn4nc(-c5cnn(C)c5)ccc4=O)ccnc3c2)CCN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUAKRODAMGWKG-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccc3c(OCCn4ncccc4=O)ccnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHPKMURHNFAOY-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccc3c(OCCn4nc(N5CCOCC5)ccc4=O)ccnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZDZBMUDLPDHQV-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccc3c(OCCn4nc(-c5ccccc5)ccc4=O)ccnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NODSDFXLBFVPOD-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccc3c(OCCn4nc(-c5ccc(C(F)(F)F)cc5)ccc4=O)ccnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKRRPUDVWORKT-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccc3c(OCCn4nc(-c5cccnc5)ccc4=O)ccnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLIIZOMJAUACIT-BEJXXSQMSA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)OC/C=C\\C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIAPZNJOJFJSQR-GZXHTMMISA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)OCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBWLZSRRLJETHI-YDPTYEFTSA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)Oc2cccc(c2)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIYDBRKFQAMHCU-LVTIVQEQSA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)OC/C=C\\CNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNIRCTXHOVOSQG-CJMRSYTISA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)OC/C=C\\CNC(=O)CC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMECINVDWRULPU-QJLKIGBLSA-N", "SMILES:CC(=O)N[C@H]1C/C=C/COc2ccc(cc2)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEQGCINBAXAQKD-QJLKIGBLSA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)OC/C=C/C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZVSJUJOHEBFJ-DZUOILHNSA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)OCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBLHAMXODQZMM-YDPTYEFTSA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)OCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIAPZNJOJFJSQR-CUPIEXAXSA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)OCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOFPIZGQIFDSZ-OJJQZRKESA-N", "SMILES:CC(=O)N[C@H]1CCCCn2cc(nn2)C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQKGGUJIFZQGEB-NDBXHCKUSA-N", "SMILES:CC(=O)N[C@H]1Cc2cn(nn2)CCCC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLLBBBICXMICNE-YDPTYEFTSA-N", "SMILES:CC(=O)N[C@H]1Cc2ccc(cc2)Oc2ccc(cc2)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQDFAUJSOUQVHN-YDPTYEFTSA-N", "SMILES:CC(=O)N[C@H]1Cc2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314530", "category": ["biolink:ChemicalEntity"], "name": "MOSNODENVIR", "xref": ["InChIKey:QNOPDDHSGQQLCV-DEOSSOPVSA-N", "SMILES:COc1cc(N[C@H](C(=O)c2c[nH]c3ccc(OC(F)(F)F)cc23)c2ccc(Cl)cc2OC)cc(S(C)(=O)=O)c1"], "synonym": ["Mosnodenvir", "Mosnodenvir", "Mosnodenvir", "Jnj-64281802", "JNJ-1802", "JNJ-64281802", "Mosnodenvir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCGSCOWRELMWIJ-OELSDGMISA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXLQIMPKWQSPJY-CIKCIIPVSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODXBVGRLSAWQJ-QJJPRLFZSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGNGCVJMNTYESM-QJJPRLFZSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJHCFCQJCMAQLH-LHAREUDBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJHVSMNJJYRSC-DIYRSXOLSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBLUIAKJGNXDTF-RPSZKARGSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBIPSSGIDFFBJP-NKWIGVHQSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJIXCTWYAARPLN-MLZIFKSBSA-N", "SMILES:C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVYZCPDIQLCJS-IFDADTEJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCNC1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUVHQIQBYQZDJD-ASIUHSGJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCNC1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKQCHLQGGKNBJ-FDTYECOMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](N)CCCCNC1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCAGOLNKZCTEPZ-UOEWMARJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCNC1=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVBYBXKGCDSJNR-LHAREUDBSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCFCQJDVXDRBH-LHAREUDBSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDAKHSPNQQCYHZ-LHAREUDBSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](N)CCCCNC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCFCQJDVXDRBH-QPUXBDTESA-N", "SMILES:CC(C)C[C@H]1NC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCFCQJDVXDRBH-XUUMBCHKSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCFCQJDVXDRBH-DTJSJNLJSA-N", "SMILES:CC(C)C[C@H]1NC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUCFCQJDVXDRBH-FRXUXRSISA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRUDYEUOYPWKKU-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)c2ccnc(Nc3cc(-c4ccc5nnn(C(C)C)c5c4)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSZGHBPMOAFSS-UHFFFAOYSA-N", "SMILES:CC(C)n1nnc2ccc(-c3ccnc(Nc4cc(C(=O)N5CCCC5)ccn4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYGIXVNDVQQAPJ-UHFFFAOYSA-N", "SMILES:CC(C)n1nnc2ccc(-c3ccnc(Nc4cc(C(=O)N5CCCN(C)CC5)ccn4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1977166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSIYZHFYCJVWJB-RMKNXTFCSA-N", "SMILES:COC(=O)/C=C/c1cc(OC)c2c(c1)C(C(=O)OC)C(c1ccc(OC)c(OC)c1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1991200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPDDYLRLTWJLX-UHFFFAOYSA-N", "SMILES:COC(=O)CCc1cc(OC)c2c(c1)C(C(=O)OC)C(c1ccc(OC)c(OC)c1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1971313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPCDEDIFJYIPT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5562424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPEBTPZYLFATGC-QPJJXVBHSA-N", "SMILES:COc1ccc(C2Oc3c(OC)cc(/C=C/C(N)=O)cc3C2C(N)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNCQZTLTSMQEDD-UHFFFAOYSA-N", "SMILES:COc1ccc(C2Oc3c(OC)cc(CCCOS(C)(=O)=O)cc3C2COS(C)(=O)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHUWZMMFMZSCKK-DHZHZOJOSA-N", "SMILES:CCOc1cc(C2Oc3c(OCC)cc(/C=C/C(=O)OC)cc3C2C(=O)OC)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNEVIYNTQNMGOG-UHFFFAOYSA-N", "SMILES:CCOc1cc(C2Oc3c(OCC)cc(CCC(=O)OC)cc3C2C(=O)OC)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWARZTAQZRDFKR-UHFFFAOYSA-N", "SMILES:CCOc1cc(C2Oc3c(OCC)cc(CCCO)cc3C2CO)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVZMKYADJSDVBN-RMKNXTFCSA-N", "SMILES:CCOc1cc(C2Oc3c(OCC)cc(/C=C/C(=O)O)cc3C2C(=O)O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQZGUIBVAYVFF-RMKNXTFCSA-N", "SMILES:CCOc1cc(C2Oc3c(OCC)cc(/C=C/C(N)=O)cc3C2C(N)=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKVCSLSTNGMOKE-UHFFFAOYSA-N", "SMILES:CCOc1cc(C2Oc3c(OCC)cc(CCCOS(C)(=O)=O)cc3C2COS(C)(=O)=O)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWSTVYZWJYAOMZ-JLHYYAGUSA-N", "SMILES:CCOc1cc(C2Oc3c(OCC)cc(/C=C/C(=O)N(C)C)cc3C2C(=O)N(C)C)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJADXYZFBMLHHG-FFLQPZBESA-N", "SMILES:COC(=O)/C=C/c1ccc(OC)c2c1[C@H](C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILAXSBTUBPYYSI-LEWJYISDSA-N", "SMILES:COC(=O)CCc1ccc(OC)c2c1[C@H](C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAEDJWLNMPBRLU-MGPUTAFESA-N", "SMILES:COc1ccc([C@H]2Oc3c(OC)ccc(CCCO)c3[C@@H]2CO)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPCDEDIFJYIPT-OXJNMPFZSA-N", "SMILES:COc1ccc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5562344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWARZTAQZRDFKR-PGRDOPGGSA-N", "SMILES:CCOc1cc([C@H]2Oc3c(OCC)cc(CCCO)cc3[C@@H]2CO)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWARZTAQZRDFKR-GCJKJVERSA-N", "SMILES:CCOc1cc([C@@H]2Oc3c(OCC)cc(CCCO)cc3[C@H]2CO)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPCDEDIFJYIPT-UZLBHIALSA-N", "SMILES:COc1ccc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5561912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVIOJTZQQHDPIZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(F)c(-c2nc(C3=Cc4cc(F)ccc4OC3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQZZYHFQPGWMW-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#CC4CC4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOYOQGTYPNWAP-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4ccccc4Cl)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZQMFFPNYCXBTK-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4cccc([N+](=O)[O-])c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLZITIRTUSLKT-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4ccc(C=O)cc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFQKDTLTXWXXTD-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4cccc(C(=O)O)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACRUGFZYPIFDNR-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4cccc(N)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGDLVDGQIYUVAG-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWOBOAJPYEQBE-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRJJWHQXVCZTST-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4ccncc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCIMOJBHBVFESU-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4ncccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOHTVBDNJSQHM-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4ccc5ccccc5n4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUNBZYJIANZYFR-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4ccc5cnccc5c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWBLRFUDQABBG-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4cscn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5287080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEDLXWRFEZCVEU-INIZCTEOSA-N", "SMILES:Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)CC(C)C)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZYRTINHLPHOG-IBGZPJMESA-N", "SMILES:CC(C)C[C@H](N)COc1cncc(-c2ccc3[nH]nc(C#CC4CC4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEZVKEITIKLEOX-QFIPXVFZSA-N", "SMILES:CC(C)C[C@H](N)COc1cncc(-c2ccc3[nH]nc(C#Cc4cccc(F)c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STFZEDWEEHFVCG-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(C#Cc5ccc(-c6ccccc6)cc5)c4c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKRNMLIGWNEDPI-NDEPHWFRSA-N", "SMILES:CC(C)C[C@H](N)COc1cncc(-c2ccc3[nH]nc(C#Cc4ccc(-c5ccccc5)cc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSOMQJQOTLKIIX-UHFFFAOYSA-N", "SMILES:C(#Cc1n[nH]c2ccc(-c3cncc(OCC4CCCN4)c3)cc12)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEZMWMSMHXKTFY-FQEVSTJZSA-N", "SMILES:CC(C)C[C@H](N)COc1cncc(-c2ccc3[nH]nc(C#Cc4ccsc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDPNHJVOFUZMSM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cncc(-c2ccc3[nH]nc(C#Cc4ccsc4)c3c2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHCRLYBGKQSNAI-UHFFFAOYSA-N", "SMILES:FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(C#Cc5ccsc5)c4c3)c2)C1"]}
{"name": "Serine/arginine-rich splicing factor 6", "xref": ["CHEMBL.TARGET:CHEMBL6066531"], "id": "UniProtKB:G3V6S8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3717211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKYGEYKIJGMDPZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZSQFONNWMIFL-SMHQJORMSA-N", "SMILES:COc1ccccc1C(=O)N[C@@H]1[C@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWZSQFONNWMIFL-BBNYVJOESA-N", "SMILES:COc1ccccc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSXQZRDPWGXTHR-BGXQRSTCSA-N", "SMILES:COc1cc(F)ccc1C(=O)N[C@@H]1[C@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNGGGCJESULSF-LOMVZZFCSA-N", "SMILES:COc1cc(F)c(F)cc1C(=O)N[C@@H]1[C@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMJIUDODKIVOEE-NZAFDRAPSA-N", "SMILES:COc1cc(F)c(-c2ccccc2)cc1C(=O)N[C@@H]1[C@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUWPUVFUYJEOAJ-ISNLERQRSA-N", "SMILES:COc1ccc(-c2cccnc2)cc1C(=O)N[C@@H]1[C@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAGBPPNDVSTHBN-NJEWNWGJSA-N", "SMILES:COc1cc(F)c(-c2ncc(C(=O)O)s2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXCSUXMMAOUGJ-CKBSVJSLSA-N", "SMILES:COc1cc(F)c(-c2ccc(C(=O)O)cc2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGWYNSIFQJWRP-FSTMGOICSA-N", "SMILES:COc1cc(F)c(-c2cccc(C(=O)O)c2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFBDMNZLTQTYHG-CKBSVJSLSA-N", "SMILES:COc1cc(F)c(-c2ccc(C(=O)O)cc2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVSBFLYCDBOKCS-GSGOWXKQSA-N", "SMILES:COc1cc(F)c(-c2ccc(CC(=O)O)cc2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJCCWQPAKLALEG-VGRNLSRZSA-N", "SMILES:COc1cc(F)c(-c2ccc(C[C@H](C(=O)O)N(C)C)cc2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCSGFMYFWQIHKJ-BAYWULLTSA-N", "SMILES:COc1cnc(-c2ccc(C(=O)O)cc2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTESKOVITJRDTK-FSTMGOICSA-N", "SMILES:COc1cc(F)c(-c2ccc(S(N)(=O)=O)cc2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNKFCZLYAKAPJF-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(-c2ccc(C(=O)O)cc2)cc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKNRNMFEEGFZSS-PBNMTAJQSA-N", "SMILES:COc1cc(F)c(OCCCC(=O)O)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQPRQVCUJQEAY-JZEXYRHJSA-N", "SMILES:COc1cc(F)c(OCCCCC(=O)O)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHEFZFLHADOKMF-FSTMGOICSA-N", "SMILES:COc1cc(F)c(Oc2ccc(C(=O)O)cc2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHEJDSNTUSTAQJ-FIYVSTPASA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@H](C(=O)O)CC2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHEJDSNTUSTAQJ-ZUURFULPSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRFEHKVYWXQTH-ZUURFULPSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGVEXQIFCUUIS-YQDCTWMXSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWZZXFOKXSAGC-YQDCTWMXSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWZZXFOKXSAGC-PJKHOWMESA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H]2C=C[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWZZXFOKXSAGC-QAXBYEPFSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C(=O)N[C@H]1[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLASPIDTNFGNA-RYHZLLSESA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc(C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAUJVZNCFSFCBO-DMCYNCHTSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAMWINOYCFVBTD-IIOZZNNQSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBWTBXVGJHFKW-INSIIIQSSA-N", "SMILES:COc1cc(F)c(C(=O)N2CCC(C)(C(=O)O)CC2)cc1C(=O)N[C@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]2C=C[C@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJUBKSVELKPOKT-AVUDPRQSSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1C[C@@H](OC)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLVMHLVRHZOOA-FRCHQXEGSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5552957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDRWWKJURUZOFS-QTZMEVOHSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXODDNYVIQTYMZ-NESSLERHSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(S(F)(F)(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSCCDNGLJPJBON-BAYWULLTSA-N", "SMILES:O=C(O)c1ccc(-c2cc(C(=O)N[C@H]3[C@@H](C(=O)Nc4cccc(S(=O)(=O)C(F)(F)F)c4)[C@@H]4C=C[C@H]3C4)ccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIYIBFNXLOOCCH-DOTOQJQBSA-N", "SMILES:COc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWDRTIQUTFPHNH-LXEWORDXSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBRILZWZVDLBS-DKJCSDNDSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLNMWXKDHZOMPJ-HKNISSFBSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWQAXXROZGDRLG-OGZOASEASA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URFCHEIYCGPEEY-LSOGSSPMSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC(C)(C)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAUIOLRLGHITKW-APCIMRPJSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N[C@H](C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUYYIGCZIZIGF-UNBDJWOASA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUYYIGCZIZIGF-FEFMQSTESA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNUMYXFQGBEBR-UNBDJWOASA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](CO)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVCURHIZPSYIIR-NVPQOPPXSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](CC#N)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTYNCATKVXAKR-QFFHGTMNSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@](C(=O)O)(C(F)(F)F)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDQGXWXZCMDCI-LSOGSSPMSA-N", "SMILES:COc1cc(F)c(O[C@H]2C[C@@](C)(C(=O)O)C2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMZSJFAMXBEBN-UNBDJWOASA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(c3nnn[nH]3)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGMJLCUBUJKPKS-WQMNMMTGSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(c3n[nH]c(=O)o3)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGIFFWTRCBGGH-WQMNMMTGSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(c3noc(=O)[nH]3)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZMQQCIGTTTZFN-KXAYYLFYSA-N", "SMILES:COc1cc(F)c(C[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNHUNYFSLSUGKB-YJYCIDBESA-N", "SMILES:COc1ccc(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIQHOFFWWXOFMP-KMDPETRASA-N", "SMILES:COc1c(F)cc(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGSJMZYBJITSC-UNBDJWOASA-N", "SMILES:COc1cc(Cl)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGSJMZYBJITSC-YXWWQNCASA-N", "SMILES:COc1cc(Cl)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRAKLETUYKWVTI-KMDPETRASA-N", "SMILES:COc1c(Cl)cc(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXGOISFFVBAEA-OIVIFXHFSA-N", "SMILES:COc1cc(C)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZARPBHIHPUSYPU-QWSHIPFASA-N", "SMILES:COc1c(C)cc(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTQIIQCGUKSBOB-WQMNMMTGSA-N", "SMILES:COc1cc(C(F)F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBHFTYLIBVJNF-UNBDJWOASA-N", "SMILES:COc1cc(C(F)(F)F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMFZRHWEGEGMN-ANKPNWFESA-N", "SMILES:CCc1cc(OC)c(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC2(C)CCC2)cc1O[C@H]1CC[C@@](C)(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIEBRIXZPKLTCK-WTGHIRNDSA-N", "SMILES:COc1cc(C2CC2)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKAXLGUJXSOMB-MDXVGFFTSA-N", "SMILES:COCc1cc(OC)c(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC2(C)CCC2)cc1O[C@H]1CC[C@@](C)(C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXGDIMJTMVENCJ-RWVWEHBMSA-N", "SMILES:COc1cc(C#N)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCOGTIHDZBOWPT-KMRAIJCXSA-N", "SMILES:COc1c(C#N)cc(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVAVUQOWYWHESE-PDHPKJPMSA-N", "SMILES:COc1cc(C#N)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC12CC(F)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBUBHGUVJSOMK-WNLZFICCSA-N", "SMILES:COc1cc(C#N)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJIHWRIVAAZAM-RBMNACNTSA-N", "SMILES:CC1(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)c2ccc(F)c(O[C@H]3CC[C@@](C)(C(=O)O)CC3)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPSCEDZPEFNFSW-HKNISSFBSA-N", "SMILES:CC1(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)c2cc(O[C@H]3CC[C@@](C)(C(=O)O)CC3)c(F)cc2F)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASJAFFVCBODAT-YJYCIDBESA-N", "SMILES:Cc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHRDBSKIXBKZJP-UNBDJWOASA-N", "SMILES:CC1(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)c2cc(O[C@H]3CC[C@@](C)(C(=O)O)CC3)c(F)cc2OCF)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKTMWHLDXLRCLI-NJQJBFSZSA-N", "SMILES:CC1(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)c2cc(O[C@H]3CC[C@@](C)(C(=O)O)CC3)c(F)cc2OC(F)F)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYZBOXHLVQLHU-NMMZTNPTSA-N", "SMILES:CC1(CNC(=O)[C@H]2C3CCC(C3)[C@H]2NC(=O)c2cc(O[C@H]3CC[C@@](C)(C(=O)O)CC3)c(C#N)cc2F)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VITWYOYZNLNYGV-KMRAIJCXSA-N", "SMILES:CC1(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)c2cc(O[C@H]3CC[C@@](C)(C(=O)O)CC3)cc3c2OCC3)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLMSPGHRXWNOV-OIVIFXHFSA-N", "SMILES:CC1(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2N2CCc3cc(F)c(O[C@H]4CC[C@@](C)(C(=O)O)CC4)cc3C2=O)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLCKTPPSBYDJC-YPLDUZHGSA-N", "SMILES:CC1(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)c2cc(O[C@H]3CC[C@@](C)(C(=O)O)CC3)ccn2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVIAXNPWXBHSTP-RBMNACNTSA-N", "SMILES:CC1(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)c2cc(O[C@H]3CC[C@@](C)(C(=O)O)CC3)c(C#N)cn2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIKAZQGPEICXRT-NVPQOPPXSA-N", "SMILES:COc1cc(S(C)(=O)=O)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJMGGORBJYSBD-HKNISSFBSA-N", "SMILES:CC1(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)c2cc(O[C@H]3CC[C@@](C)(C(=O)O)CC3)c(F)cc2O)CCC1"]}
{"name": "Relaxin receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3714701"], "id": "UniProtKB:Q6R6I7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUYYIGCZIZIGF-LHEALVPGSA-N", "SMILES:COc1cc(F)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCC1(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBBFHNQVZXUTPJ-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2cccc(I)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISJQXIFMGHDAX-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRLKJCULDRDIBB-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2ccc(Br)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFVCTMSLPJSIY-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2ccc(I)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDBSBVLXKIPRPP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)c3ccccc3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFIYXDJGMIBSOY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)c3ccccc3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDWDUHLDCWUXAF-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2nc(N)c3ccccc3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEVOAPHGEYYJRW-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2ccc(Cl)cc2)nc2c1ccc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPUQIAAVRRXVOO-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2ccc(Br)cc2)nc2c1ccc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIPFJAYSKDPIJN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)c3ccc4ccccc4c3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLPNGMBKSCDHX-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2ccc(I)cc2)nc2c1ccc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KROHYNBXFMQEIN-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccc(I)cc2)nc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQJFLVXUIHMERE-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2ccc(I)cc2)nc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOJJLRWCQRNNCJ-UHFFFAOYSA-N", "SMILES:CCCNc1nc(-c2ccc(I)cc2)nc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVTUNKDKVNCGV-UHFFFAOYSA-N", "SMILES:Cl.FCCNc1nc(-c2ccc(I)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAWBQOZOUMMYKG-UHFFFAOYSA-N", "SMILES:Cl.OCCNc1nc(-c2ccc(I)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNJWVOGBSKXTFN-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(-c2ccc(I)cc2)nc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJDPJWXBJRMAF-UHFFFAOYSA-N", "SMILES:Cl.Ic1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTDRAJOKKBMRH-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGZSECFPPHFOX-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2cccc(F)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBRXMPIZJAOAS-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2cccc(Cl)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEHFGLLGBQZNEX-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2cccc(Br)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZWYNEVSABJIMT-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(N)c3ccccc3n2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXQLEOHZENMQES-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2ccc(F)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVKKVBMTPTYKY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2nc(N)c3ccccc3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QISGHQMHERNOAH-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Cl)nc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMGUIYDVXYKXKD-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Br)nc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHJBSCFVAZDIHW-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2ccccc2)nc2c1ccc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJVXKKNXGRBUOM-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2cccc(F)c2)nc2c1ccc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALPPAELHTKEFLT-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2cccc(Cl)c2)nc2c1ccc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKJUAQMGDRQBJV-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2cccc(Br)c2)nc2c1ccc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJDOKSUCSVMFK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(N)c3ccc4ccccc4c3n2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTOMOOTJCAMIO-UHFFFAOYSA-N", "SMILES:Cl.Nc1nc(-c2ccc(F)cc2)nc2c1ccc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOYVAZJAWHDYCJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)c3ccc4ccccc4c3n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHUJXOLJIYKNL-UHFFFAOYSA-N", "SMILES:CCCCNc1nc(-c2ccc(I)cc2)nc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCECSWBVOUTOHU-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nc(-c2ccc(I)cc2)nc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGSHGTTZQZKOZ-UHFFFAOYSA-N", "SMILES:Cl.Ic1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RENHOLVZCDREIJ-UHFFFAOYSA-N", "SMILES:Cl.Ic1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMZZWPYSGDZLOW-UHFFFAOYSA-N", "SMILES:Cl.Ic1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVISHSHUSQTSCD-UHFFFAOYSA-N", "SMILES:Cl.Ic1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEVZCFMUCZMJMA-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(I)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCRYIHDDAYXIQ-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2ccc(I)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJVIOKMYYACBDT-UHFFFAOYSA-N", "SMILES:CCNc1nc(-c2ccc(I)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAZXEXKFOYEPMW-UHFFFAOYSA-N", "SMILES:FCCNc1nc(-c2ccc(I)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5548862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALAXVXTCKHRMF-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCNc1ccc2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUQPSEQBVKZCRP-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCNc1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQXULOCVFNAULR-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCNc1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTVIGHDCHGYXLT-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCNc1ccc([N+](=O)[O-])c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBRGTIGMIRJAIF-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCNc1ccc(C#N)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMRZVTDYXXBISG-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCNc1ccc(F)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWFREANAYXUVPF-QRWMCTBCSA-N", "SMILES:C=C(C)C1CCCC[C@H]1c1c(O)cc(O)cc1CCCCC"]}
{"name": "Cellular retinol-binding protein", "synonym": ["Retinol-binding protein 1"], "xref": ["CHEMBL.TARGET:CHEMBL2076"], "id": "UniProtKB:P09455", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPXYCFQNEZDPGQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(c3noc(CN(C)Cc4cccs4)n3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGIIVQVOWUOHH-UHFFFAOYSA-N", "SMILES:CCN(CCn1cccn1)Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYPQCOBQQQTCFN-UHFFFAOYSA-N", "SMILES:COCC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMRYHSCJKFERQE-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCC(O)(CO)CC2)c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMVZNLFSCPAPNW-UHFFFAOYSA-N", "SMILES:CC(c1cccs1)N(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1598041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYOPUXIDJFMOTI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2(c3noc(CN(C)Cc4cnn(C)c4)n3)CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFPJARIXQWTDSX-UHFFFAOYSA-N", "SMILES:O=C(O)CCCOc1ccccc1-c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMPWGNPLXRZECP-UHFFFAOYSA-N", "SMILES:O=C(O)CCCOc1ccc(F)cc1-c1cc(-c2ccccc2C(F)(F)F)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGOWEVQJMDIRDA-CRICUBBOSA-N", "SMILES:C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Cl)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVOKBONTLOAJKA-VEYUFSJPSA-N", "SMILES:O=C(O)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)Oc2cccc3ccccc23)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPUIEAUXGVEOS-VEYUFSJPSA-N", "SMILES:O=C(O)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)Oc2ccc3ccccc3c2)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOGPSFDXMYVTN-CQJMVLFOSA-N", "SMILES:O=C(O)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)Nc2cccc3ccccc23)[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUQXTFJHVBZBRH-KRCBVYEFSA-N", "SMILES:COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)Oc1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGCCXLYLWHUZIR-AJGRPYLISA-N", "SMILES:O=C(Nc1cccc2ccccc12)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Nc2cccc3ccccc23)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSGNTBDHMOTJSV-JPZYQRIQSA-N", "SMILES:C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRSQCUIRNSRHIV-JIYROHSKSA-N", "SMILES:C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYNGYSZOLMCUGA-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-n2nc(-c3cc(F)ccc3OCCCC(=O)O)cc2-c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSIYKJUEBGEBO-FWEHEUNISA-N", "SMILES:O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2cccc(C3=CCOCC3)c2)[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZEGDBMNHNFRDQ-INIZCTEOSA-N", "SMILES:Cc1nc(CCCc2ccccc2)sc1N1CCC[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJVUNAAVSIGNF-UHFFFAOYSA-N", "SMILES:Cc1nc(CCCc2ccccc2)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCVPQDJVVKPKK-UHFFFAOYSA-N", "SMILES:Cc1nc(CCCc2ccccc2)sc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJQLEJKZZWKBSV-OAHLLOKOSA-N", "SMILES:Cc1nc(CCCc2ccccc2)sc1N1CC[C@@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZYINGZDRUALZ-INIZCTEOSA-N", "SMILES:Cc1nc(CCCc2ccccc2)sc1N1CCC[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNAQDEXZTFYQJA-HNNXBMFYSA-N", "SMILES:Cc1nc(CCCc2ccccc2)sc1N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQAIARICCRJRU-UHFFFAOYSA-N", "SMILES:Cc1nc(CCc2ccccc2)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUFWGEJDHDUSPW-HNNXBMFYSA-N", "SMILES:Cc1nc(CCCc2ccccc2)sc1N1CCC[C@H]1c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQXJVDZXJKCHF-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCc2nc(C)c(N3CCCC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJBTXRCLLUKSIZ-UHFFFAOYSA-N", "SMILES:Cc1nc(CCCc2ccc(C#N)cc2)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDPBWKZLICXGNR-UHFFFAOYSA-N", "SMILES:Cc1nc(CCCc2ccccn2)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQUZYNUFQUHEF-UHFFFAOYSA-N", "SMILES:Cc1nc(CCCc2cccnc2)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMVOXGKIBTCSU-UHFFFAOYSA-N", "SMILES:Cc1nc(CCc2cccnc2)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQWAFNHYBTUYGH-UHFFFAOYSA-N", "SMILES:Cc1nc(CCc2c[nH]c3ccccc23)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKDMLISKUFSLB-UHFFFAOYSA-N", "SMILES:Cc1nc(CCn2cnc3ccccc32)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTVSRCUYGTEPX-UHFFFAOYSA-N", "SMILES:Cc1nc(CCc2nc3ccccc3[nH]2)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AABRXJILNZGHPN-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(CCCc2ccccc2)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNGQSMEFPWCQB-UHFFFAOYSA-N", "SMILES:CC(C)c1nc(CCc2c[nH]c3ccccc23)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEKZESYZQMMTR-UHFFFAOYSA-N", "SMILES:c1ccc(CCCc2ncc(N3CCCC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLJZFZIPBLYPOB-UHFFFAOYSA-N", "SMILES:Cc1nc(CCc2cn(C)c3ccccc23)sc1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDRZMRNDYHSREM-VXKWHMMOSA-N", "SMILES:O=C(C1CCCC1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL435223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZHMPLZQUQVSY-FKBYEOEOSA-N", "SMILES:CC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNQKOCSSYSOZMM-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKEYIZNEKWGGSX-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(OCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWPHIBJLXACFJX-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFCQJGOPSGIJLD-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4(CC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPQHVWFHUYFIEI-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4(CC(OCc5c(-c6c(F)cccc6Cl)noc5C5CC5)C4)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTNUKJCYFMMMHU-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4(CC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)C4)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRDDRCREYSQMV-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4CC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)CC4C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZGPYLPBDKJVJR-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4CC(OCc5c(-c6c(F)cccc6Cl)noc5C5CC5)CC4C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWFRIFXHMKCFZ-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4CC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)CC4C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYSTSGXDYOQOQ-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFKJADUIVBFKJ-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEJGUCLOUQTBBX-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMWCJJCQCSZTI-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4(CC(COCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCNUBLRZLPOLB-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4(CC(COCc5c(-c6c(F)cccc6Cl)noc5C5CC5)C4)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCVXNMIJZUSXAU-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4(CC(COCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)C4)C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDWGJXBHMPCANL-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4CC(COCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)CC4C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MISGQJNHHRBECV-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4CC(COCc5c(-c6c(F)cccc6Cl)noc5C5CC5)CC4C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTUOSSYYNFWTN-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)O)c2ccc(N3CC4CC(COCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)CC4C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYOHYRYRQEARI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3C4CCC3CC(F)(COCc3c(-c5ccccc5)noc3C3CC3)C4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZDIHBZICYUXOM-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)O)cc2ccc(N3CCC4(CC3)CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYBJDLZMFIXCJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2ccc(N3CCC4(CC3)CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOHDWKKNOOESLB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXLFCNIINIUHQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(OCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHAELYJVCOBFL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGGCAKYVNZTPQZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(COCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUMPORQBWZLMR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDKVIIRUWCGPBC-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc2cc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMBREZVRCYMQAO-UHFFFAOYSA-N", "SMILES:O=C(O)c1coc2cc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAVVVIKOYIGEEX-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSOWWQBQXSIIOB-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)O)cc2ccc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIXZBKBOLVTAQF-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc2cc(N3CCC4(CC3)CC(COCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSDRFIPSFMUGTB-UHFFFAOYSA-N", "SMILES:O=C(O)c1csc2cc(N3CCC4(CC3)CC(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWCBROUILJJAU-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAKQVSXXZNXIAW-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOIQYPGNJQHIR-ONEGZZNKSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C/CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMTZXWAMWDDLQ-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OCCCCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOIQYPGNJQHIR-ARJAWSKDSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C\\CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVMVPBZDKHOVRJ-HWKANZROSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C/CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVMVPBZDKHOVRJ-HYXAFXHYSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C\\CCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFBFUNWWEQQNQB-GQCTYLIASA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C/CCCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFBFUNWWEQQNQB-XQRVVYSFSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccc(N)c(c1)OC/C=C\\CCCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBNPRMRTSOPFE-ONEGZZNKSA-N", "SMILES:Nc1ccc2cc1OC/C=C/CNc1ncc(-c3ccccn3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJUUEGDACCVJFO-ARJAWSKDSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1cccc(c1)OC/C=C\\CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDHBQDNRGYSHLX-ARJAWSKDSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccc(F)c(c1)OC/C=C\\CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODGHJYWFVZJPD-ARJAWSKDSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccc(Cl)c(c1)OC/C=C\\CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRIFHRFJAFIDKD-ARJAWSKDSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccc(C#N)c(c1)OC/C=C\\CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKJWZNYZIYQQMZ-PLNGDYQASA-N", "SMILES:Cc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)NC(C)C)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIFZMWFVFITGGN-PLNGDYQASA-N", "SMILES:COc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)NC(C)C)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCHDIQOJDQWRM-ARJAWSKDSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1cc(C#N)cc(c1)OC/C=C\\CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWAJPBLFIVLBGO-ARJAWSKDSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1ccnc(c1)OC/C=C\\CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBBCLTDGXQECOO-ARJAWSKDSA-N", "SMILES:CC(C)NC(=O)c1cnc2nc1Nc1cnc(N)c(c1)OC/C=C\\CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVFZDWSYRPXQDB-PLNGDYQASA-N", "SMILES:CC(C)N(C)C(=O)c1cnc2nc1Nc1ccc(C#N)c(c1)OC/C=C\\CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRADLFNNKOZYJZ-UPHRSURJSA-N", "SMILES:N#Cc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)N3CCNCC3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKHIHHSSPXZOHA-UPHRSURJSA-N", "SMILES:N#Cc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)NC3CCNCC3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUBZRIXZYLGEIM-IHWYPQMZSA-N", "SMILES:CN1CC(NC(=O)c2cnc3nc2Nc2ccc(C#N)c(c2)OC/C=C\\CN3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRGJIZUIODIMGX-OYADATRGSA-N", "SMILES:N#Cc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)N[C@H]3CCNC3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAZSNKSWSKBJCZ-UPHRSURJSA-N", "SMILES:N#Cc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)NCC3CCNCC3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJAKRAMTCPYIKA-UPHRSURJSA-N", "SMILES:N#Cc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)Nc3ccncc3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHLXDZNTGVMWGX-IHWYPQMZSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)c3cnc4nc3Nc3ccc(C#N)c(c3)OC/C=C\\CN4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNKFAXRCZUFWGQ-IHWYPQMZSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cnc4nc3Nc3ccc(C#N)c(c3)OC/C=C\\CN4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQSLOMAYSOUYFR-UPHRSURJSA-N", "SMILES:N#Cc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)NC3CCN(CC4CCOCC4)CC3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSNHFXEEYPEGT-UPHRSURJSA-N", "SMILES:N#Cc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)NC3CCN(C(=O)C4CCOCC4)CC3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGTYKAKKBJJQT-OTBKEPOOSA-N", "SMILES:N#Cc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)N[C@H]3CC[C@H](C(=O)N4CCOCC4)CC3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTPPAOMSIMPNEQ-UHCXJUERSA-N", "SMILES:CN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)c3cnc4nc3Nc3ccc(C#N)c(c3)OC/C=C\\CN4)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBNTQCVLLJAGG-FQPHQLLOSA-N", "SMILES:CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(C#N)c(c2)OC/C=C\\CN3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSJIQTZEUSHBBQ-GAQYGLQYSA-N", "SMILES:CN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)c3cnc4nc3Nc3ccc(F)c(c3)OC/C=C\\CN4)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZJTYICHFKEZPB-GAQYGLQYSA-N", "SMILES:CN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)c3cnc4nc3Nc3ccc(Cl)c(c3)OC/C=C\\CN4)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5548863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMWSAWIKNLTDH-YKSWZLAUSA-N", "SMILES:Cc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)N[C@H]3CC[C@H](C(=O)NC4CCN(C)CC4)CC3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWILRIPPYUJHMX-MYTJMTPISA-N", "SMILES:COc1ccc2cc1OC/C=C\\CNc1ncc(C(=O)N[C@H]3CC[C@H](C(=O)NC4CCN(C)CC4)CC3)c(n1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWXIWEQAGQKYSB-LXAIDMBKSA-N", "SMILES:CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(F)c(c2)OC/C=C\\CN3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLBFPPCIKGUBAH-LXAIDMBKSA-N", "SMILES:CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(Cl)c(c2)OC/C=C\\CN3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEMPFKOYBHCUIG-QVIWBNHYSA-N", "SMILES:CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(C)c(c2)OC/C=C\\CN3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMSWMADUGUYFF-SAGPEPNNSA-N", "SMILES:CCN(CC)CCNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3nc2Nc2ccc(OC)c(c2)OC/C=C\\CN3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIKIFNNFQQQSAW-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(N)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYYPMQETGKOIJ-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1nc(N)ncc1Cl)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQROCJHKYHOPL-UHFFFAOYSA-N", "SMILES:CNc1nccc(N2CCCn3nc(C#CC(C)(O)c4nccs4)cc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMCRJXMROKHUDU-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nccc(N2CCCn3nc(C#CC(C)(O)c4nccs4)cc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQRKTBOWZDRKV-UHFFFAOYSA-N", "SMILES:COCCNc1nccc(N2CCCn3nc(C#CC(C)(O)c4nccs4)cc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKSFFJWPIZCTJK-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(NC2CCCCC2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCEPJTGIGMKUJU-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(NC23CC(C2)C3)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQIJTDUMSZUTGL-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccccn2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCCZCIYRAJKNNV-UHFFFAOYSA-N", "SMILES:COc1cccnc1Nc1nccc(N2CCCn3nc(C#CC(C)(O)c4nccs4)cc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUWJZAUXJZLZKF-UHFFFAOYSA-N", "SMILES:COc1ccnc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOJFNDVBHRMMJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXOPUOQYHDIXDV-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHUFSUBFZRJIHN-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)nc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQBWENKOIMKWER-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNIVWRCJLLKLSZ-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2cc(C#N)ccn2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXIUHNCZSYQYLG-UHFFFAOYSA-N", "SMILES:CN(C)c1ccnc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFHYKCCPXXAPKT-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2cc(N3CCOCC3)ccn2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSIBKFFRKAYRSY-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFDZARERNZZFS-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2cccc(N3CCOCC3)n2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFDXBBWXMKXHDL-UHFFFAOYSA-N", "SMILES:COCCN(C)c1cccc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOOBAKCOUNPDV-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2cccc(N3CCCCC3)n2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYFRBELGNOAAFW-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2cccc(C(F)(F)F)n2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMIUULYDNOQSIP-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccc(F)cn2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUFBDGFXFDMPH-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2cc(Cl)ccn2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBIKAGCQPHONM-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccncn2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNSTZMUMGFYZPI-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccc3ccccc3n2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCMAMVFLTAFBCE-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccccc2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKBDUTOVEZDURP-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5523606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLGDSKZRWANGNL-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2cccc(C#N)c2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTEXDTNZPAVSGQ-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQKVHMVTSMQCL-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2cccc(N3CCOCC3)c2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCBOQZHLAUWCX-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNYDQACVZRTKLO-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccc3c(c2)OCO3)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVIYWKDVUNOXCL-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccc3c(c2)OC(F)(F)O3)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTJYOFGJOQJRPF-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccc(F)cc2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZBETHAHZYDME-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccc(Cl)cc2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPMYVRSBHFWLF-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZTPSXLBVICTLN-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVRIGGWHUIYMCK-UHFFFAOYSA-N", "SMILES:Cn1ccc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5548835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCCFODJMLUYBLV-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1cc(Nc2ccc(F)cc2)ncn1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEDZHWJXYZFWDT-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ncnc(Nc2ccc(Cl)cc2)n1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQONSRIXLNWNED-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccccc2)c1)c1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNUBWOUKUKFFBS-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccc3c(c2)OCO3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOGVPNCRPHHCLV-UHFFFAOYSA-N", "SMILES:OC1(C#Cc2cc3n(n2)CCCN3c2ccnc(Nc3ccc4c(c3)OCO4)n2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSCEJFICVABHP-UHFFFAOYSA-N", "SMILES:OC1(C#Cc2cc3n(n2)CCCN3c2ccnc(Nc3ccc4c(c3)OCO4)n2)CCn2ccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNFFGFSOSCVQR-UHFFFAOYSA-N", "SMILES:CC(O)(C#Cc1cc2n(n1)CCCN2c1ccnc(Nc2ccc3c(c2)OCO3)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOEDJUICCTZLIR-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)(O)C#Cc2cc3n(n2)CCCN3c2ccnc(Nc3ccc4c(c3)OCO4)n2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCBOQZHLAUWCX-RUZDIDTESA-N", "SMILES:COc1cc(Nc2nccc(N3CCCn4nc(C#C[C@@](C)(O)c5nccs5)cc43)n2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCBOQZHLAUWCX-VWLOTQADSA-N", "SMILES:COc1cc(Nc2nccc(N3CCCn4nc(C#C[C@](C)(O)c5nccs5)cc43)n2)cc(OC)c1"]}
{"name": "Polycystin-2", "xref": ["CHEMBL.TARGET:CHEMBL5465"], "id": "UniProtKB:Q13563", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDKZJMGFRSXWSJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCC(N2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCADNSJQHAGKBX-FQEVSTJZSA-N", "SMILES:N[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXKIXPMTVEDCR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccco4)n3c2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBVTQGDRIYCRN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccoc4)n3c2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDYURKPWOPRSMM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKBPOTWGKPRFEH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cccs4)n3c2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEPPZNCGRACPGZ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccsc4)n3c2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIRNKSTJOICTI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGWSCBXZMXUGRN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUCQUQBTJOBTA-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGLJXZUKNYLHMK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5s4)n3c2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMVSRLUUXHNABC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4ccc5occc5c4)n3c2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MECRYAMPAYEHHW-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMPBIALPWFHSMB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUCVXIHKWBYLLK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNFYWRADYYEYQC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cn3c(-c4cc5ccccc5o4)cnc3cn2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGBEOFIFZVLQU-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3cn4c(-c5cc6ccccc6o5)cnc4cn3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSJWFQUCOMWKQD-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2cn3c(-c4cc5ccccc5o4)cnc3cn2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMYZZLESAPEGL-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2cn3c(-c4cc5ccccc5o4)cnc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLKYGVDXWJUOFW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOJOLCVOSVXPG-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DITKYYZRIWWAQK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIBRQIOPTKIPOZ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXNUFRAUJVQQOV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWDPWNPTCKJNW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWXOTOIFWCYXRK-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFYSHFWLDDXPKM-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMOODDNVNBVCOJ-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POSZZZFFLNLQCL-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIBSLIWLWMKJGN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCC(N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHRNXAACBOPCP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCC(N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJGPWESAFONVCG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCC(N2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXUYZVYTXZYDQM-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIDICSQDPQVEH-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQBHHVIUAXNAOC-JOCHJYFZSA-N", "SMILES:N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCADNSJQHAGKBX-HXUWFJFHSA-N", "SMILES:N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQBHHVIUAXNAOC-QFIPXVFZSA-N", "SMILES:N[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNKZDJDBWRVDBN-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NC3CCOCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPZERLQVJLZSL-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCCN3CCOCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPPRZZPXOYOKDF-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)Nc3ccc(F)c(Cl)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWWYXACLGSDDL-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNC(=O)c1cc(-c2nc(Nc3ccnn3C)ncc2Cl)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSSVDZCPCZMRAQ-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2cc(-c3nc(Nc4ccnn4C)ncc3Cl)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERUUVOGBNTOIA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2cc(-c3nc(Nc4ccnn4C)ncc3Cl)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTROSQKUUGFAQJ-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccccc3Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZYLLHWIPFLHRJ-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3cccc(Cl)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKMUFUCBMYJOV-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(Cl)cc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJFGJANTOQNUSA-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccccc3F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJPIMJSLJBBXSS-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3cccc(F)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLGPLJFFRLXTNO-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(F)cc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWWGSZDBZROXHA-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccccc3Br)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRBOYIZUOYEUGH-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3cccc(Br)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJACEAXQXQIHW-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(Br)cc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSRNMUJZSMRGK-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccccc3C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDSOASPVOWZGM-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RINXVLSBDIKZAA-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KELUIJOQBABYRD-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccccc3OC(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNNSUKFLWBDHE-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3cccc(OC(F)(F)F)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADQMJCGLSNRTB-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(OC(F)(F)F)cc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRBGFLRDPZBBBP-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(F)c(F)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXCCXLKEJBZPZ-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(Cl)c(Cl)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXNCMSYWQCBOQO-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(Cl)c(F)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUGBAVZUSFXYBJ-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(F)c(Cl)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5538162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWLQUJSUBDMUPJ-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(F)cc3Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHAJYHQKBRZNEF-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(Cl)cc3F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTOMIXYTTCLBDI-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(F)cc3F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKPGXOYIJURCQP-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(Cl)cc3Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJYPVFTZQSZTSB-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)c2cc(-c3nc(Nc4ccnn4C)ncc3Cl)cs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLARTMKFRQTEQW-UHFFFAOYSA-N", "SMILES:COc1cnc(Nc2ccnn2C)nc1-c1csc(C(=O)NCc2ccc(F)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBGIFFZKDJEJLL-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccnn2C)nc1-c1csc(C(=O)NCc2ccc(F)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZUPIMHVUYPWBV-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1ncc(F)c(-c2csc(C(=O)NCc3ccc(F)c(Cl)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJIQNXOGLAUOW-UHFFFAOYSA-N", "SMILES:Cn1nccc1Nc1nccc(-c2csc(C(=O)NCc3ccc(F)c(Cl)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCICIUPQYGLQRB-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(-c3csc(C(=O)NCc4ccc(F)c(Cl)c4)c3)n2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIOMIQLEXSLIV-UHFFFAOYSA-N", "SMILES:Cn1ccc(Nc2ncc(Cl)c(-c3csc(C(=O)NCc4ccc(F)c(Cl)c4)c3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEBDCJUWMRIYEX-UHFFFAOYSA-N", "SMILES:Cn1nc(Nc2ncc(Cl)c(-c3csc(C(=O)NCc4ccc(F)c(Cl)c4)c3)n2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHOGSJVLAKQNPD-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2ncc(Cl)c(-c3csc(C(=O)NCc4ccc(F)c(Cl)c4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDEPDMGRLGARII-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(F)c(Cl)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGCFAMYWGFYDRV-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(F)c(Cl)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDXBOPMUDKJXJF-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2ncc(Cl)c(-c3csc(C(=O)NCc4ccc(F)c(Cl)c4)c3)n2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOFJFSPODDIQOU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)c(Cl)c1)c1cc(-c2nc(NC3CCOCC3)ncc2Cl)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYLWPRXZKUBJBK-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(Cl)c(-c3csc(C(=O)NCc4ccc(F)c(Cl)c4)c3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABISBLYRQGXUTM-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc(Cl)c(-c3csc(C(=O)NCc4ccc(F)c(Cl)c4)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGWPIABISVASZ-UHFFFAOYSA-N", "SMILES:Cc1cnccc1Nc1ncc(Cl)c(-c2csc(C(=O)NCc3ccc(F)c(Cl)c3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEVBSDZVRMIVGL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(-c3csc(C(=O)NCc4ccc(F)c(Cl)c4)c3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFXDLWUHXTPMX-LJQANCHMSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(-c3csc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXFXDLWUHXTPMX-IBGZPJMESA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(-c3csc(C(=O)N[C@@H](CO)c4cccc(Cl)c4)c3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXLOFYRZSSMJF-LJQANCHMSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(-c3csc(C(=O)N[C@H](CO)c4ccccc4)c3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJXLOFYRZSSMJF-IBGZPJMESA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(-c3csc(C(=O)N[C@@H](CO)c4ccccc4)c3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWXHOVKTNUGEB-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHPPMSIQFCCHH-KWLMBRAGSA-M", "SMILES:CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(=O)[O-])[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICUBMSJENMZZNS-PCONLZPNSA-M", "SMILES:CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@]2(O)CC[C@@H](C(=O)[O-])O[C@@H]2[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFQYCKEXYUWNB-QEBHZRSUSA-K", "SMILES:CC(C)OC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(=O)O)[C@H]1OC(=O)c1ccccc1)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O[C@@H](C)CCCn1cc(CCCCC(=O)Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)nn1.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHCBGVDJBHVBS-SHVXGJMVSA-M", "SMILES:CC(C)OC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(=O)O)[C@H]1OC(=O)c1ccccc1)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O[C@@H](C)CCCn1cc(CCCCC(=O)Nc2ccc(OCCCS(=O)(=O)[O-])cc2)nn1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZDXSPXGNPEINW-PODFMIJUSA-L", "SMILES:CC(C)OC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(=O)O)[C@H]1OC(=O)c1ccccc1)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O[C@@H](C)CCCn1cc(CCCCC(=O)Nc2ccc(OP(=O)([O-])[O-])cc2)nn1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTSXVOSXQSUUPB-UHFFFAOYSA-N", "SMILES:NCC(=O)NCCCCCCn1nnc(-c2ccccc2)n1"]}
{"name": "Amine oxidase [copper-containing] 3", "xref": ["CHEMBL.TARGET:CHEMBL3265"], "id": "UniProtKB:Q9TTK6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCGLLFRCIJLAA-UHFFFAOYSA-N", "SMILES:NCC(=O)NCCCCCCCn1nnc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNSXSQLBAVPFZ-UHFFFAOYSA-N", "SMILES:NCC(=O)NCCCCCCCCn1nnc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVGVIWBIGZJYMQ-UHFFFAOYSA-N", "SMILES:NCC(=O)NCCCCCCn1nnc(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXCONPEHXKZRI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnn(CCCCCCNC(=O)CN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKBHQFISOCXMRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnn(CCCCCCNC(=O)CN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGXYBUNTOOAJD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nnn(CCCCCCNC(=O)CN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBBRFEYTQCXHRG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2nnn(CCCCCCNC(=O)CN)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSPBUCFRJUJGJ-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)NCCCCCCn1nnc(-c2ccc(C(N)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEMILUGHQSTRHG-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2nnn(CCCCCCNC(=O)CN)n2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBKWSCJWSLUIN-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCC(=O)NCCCCCCn1nnc(-c2ccc(N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQFCNLKXBFSGQY-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCC(=O)NCCCCCCn1nnc(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXYUWUISMGSPE-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)NCCCCCCn1nnc(-c2ccsc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYWJSZIWBKPAZ-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)NCCCCCCn1nnc(-c2cccs2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULBFORYCZKAEF-UHFFFAOYSA-N", "SMILES:NCC(=O)NCCCCCCn1ncc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBCPMVURBJLFA-UHFFFAOYSA-N", "SMILES:NCC(=O)NCCCCCCn1cc(-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RELZCQYFYSZPJM-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)NCc1ccc(Cn2nnc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFBFKGZSBGQJY-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)NCc1cccc(Cn2nnc(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRHUYKHUGZJRG-UHFFFAOYSA-N", "SMILES:Cl.N#Cc1ccc(-c2nnn(Cc3cccc(CNC(=O)CN)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3990105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSSVUXASHMUGY-UHFFFAOYSA-N", "SMILES:NCC(=O)NCc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWNSXNXYELKDSO-DHZHZOJOSA-N", "SMILES:CC(C)(C)NC(=O)c1ccc(OC/C(=C/F)CN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOIHWQNKXYOOX-UHFFFAOYSA-N", "SMILES:NCC(=O)NCCCCCn1nnc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFSPKPMSNLOALV-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCC(=O)NCCCCCCn1nnc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPAQNTJJSPYKOA-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCC(=O)NCCCCCCn1nnc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAHWECYFKJZUEZ-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(Cn2nnc(-c3ccccc3)n2)c1)C(=O)CN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRODOXNSJBBCDX-UHFFFAOYSA-N", "SMILES:NCC(=O)NCCCCCCn1ccc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JANXIWDTRMGFSS-UHFFFAOYSA-N", "SMILES:NCC(=O)NCCCCCCn1cnc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUAKXBCEOQVHBD-UHFFFAOYSA-N", "SMILES:Cl.NCC(=O)NCc1ccccc1Cn1nnc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JICOILMGDPGKLC-YVLHZVERSA-N", "SMILES:COc1ccc(CNC2=NC(=O)/C(=C/c3ccc(OC)c(O)c3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAJNETJBGJZPQM-PXNMLYILSA-N", "SMILES:COc1ccc(CNC2=NC(=O)/C(=C/c3ccc(O)cc3O)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBRHXDODHUVAPA-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(/C=C/c2cc3c(O)c(c2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5ccccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5ccccc54)nn2)C3)cc1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEBKZRJUCGZXQF-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(/C=C/c2cc3c(O)c(c2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(F)ccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(F)ccc54)nn2)C3)cc1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBNGTERYJPLKTJ-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(/C=C/c2cc3c(O)c(c2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(Cl)ccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(Cl)ccc54)nn2)C3)cc1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNCEESWRWJSGR-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(/C=C/c2cc3c(O)c(c2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(Br)ccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(Br)ccc54)nn2)C3)cc1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCMDSCZZWSWTR-UHFFFAOYSA-N", "SMILES:C[n+]1ccc(/C=C/c2cc3c(O)c(c2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(I)ccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(I)ccc54)nn2)C3)cc1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXZRMVIQYWNRY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cn(CCCOc2c3cc(C(C)(C)C)cc2Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(C)ccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)C3)nn1.[I-].[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPRGZRFECLBYKZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cc[nH]c2c1)c1c[nH]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOLAJPNSHGSTCD-UHFFFAOYSA-N", "SMILES:CCCCN1CC(S(=O)(=O)Nc2ccc(CC)cc2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3647439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCAXPRFNWUOBNC-RDAHNBDFSA-N", "SMILES:Cc1ncccc1CNC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(CCC(F)(F)F)CC[C@@]21Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4176184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCRSEBWEGGETI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1742186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYLYSEXHKNLCOF-UHFFFAOYSA-N", "SMILES:O=P(O)(CCP(=O)(O)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5554989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWEACDWCHCMFLA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2C2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFBKLIYBLHVDY-UHFFFAOYSA-N", "SMILES:OC(C1=NC(c2ccc(Br)cc2)NN1)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWYJXHYFFMSGO-UHFFFAOYSA-N", "SMILES:OC(C1=NC(c2ccc(Br)cc2)NN1)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIDBDNJCOJDGX-UHFFFAOYSA-N", "SMILES:OCc1cccc(N2C=CN(c3ccccc3)N2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUDXYYWDVFRHQ-UHFFFAOYSA-N", "SMILES:OC(C1=CNNN1c1ccc(Br)cc1)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNDDPHBNDGKNKB-OVELHQAISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O)[C@@H](C)CC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOZOUJHGMRANHV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)C(CCCCNC(=O)Nc1ccccc1)NC(=O)Nc1ccc(Br)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULHSERQOZGAIT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)C(CCCCNC(=O)Nc1ccccc1)NC(=O)Nc1ccc(SC)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGXYQYLMQHUTH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C2Cc3ccc(NC(=O)Nc4ccc(Br)cc4)cc3C(=O)N2CCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVCYSRQNARCQL-RUZDIDTESA-N", "SMILES:CSc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(CCCN)[C@@H](c2ccc(C#N)cc2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVCYSRQNARCQL-VWLOTQADSA-N", "SMILES:CSc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(CCCN)[C@H](c2ccc(C#N)cc2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBTJOLCUKWLTIC-AXRBAIMGSA-N", "SMILES:CC/C=C\\C[C@@H](O)/C=C/C=C\\C[C@@H](O)/C=C/C=C/C=C\\[C@@H](O)CCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5555475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTWPEDVIMHJEO-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C(C)(F)F)co3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTBABUFIBCHCY-CLRIEMFWSA-N", "SMILES:O=C(O)[C@@H]1C2CCC([C@@H]1C(=O)Nc1ccc(Br)cc1)C21CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKMBJOIYLPQPW-UHFFFAOYSA-N", "SMILES:CSc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(CCCN)C(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPLDUFKMYOICI-HIQIDBLNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNSHCGZAVVVLJT-YPCRSGLJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKTKHYWEYUTSOD-UHFFFAOYSA-N", "SMILES:CC1(C)CC(C(=O)Nc2ccc(Br)cc2)=C(C(=O)O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZUBWDFMPJHXBA-UHFFFAOYSA-N", "SMILES:CCC1(CCc2ccccc2)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBDBKWVBGKBPM-INIZCTEOSA-N", "SMILES:CCOP(=O)(CNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(Br)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFWHRLQGHJXDSC-YEZWIMEDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXVRTOKOJOMENI-WLPVFMORSA-N", "SMILES:CCCCC[C@H](O)[C@H](O)/C=C/C=C/C=C\\C=C\\[C@@H](O)CCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5562581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHIXPIBUNDOQS-ZDUSSCGKSA-N", "SMILES:C[C@H]1CC(c2ccccc2)=NN(CC(=O)Nc2ccc(Br)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYHIXPIBUNDOQS-CYBMUJFWSA-N", "SMILES:C[C@@H]1CC(c2ccccc2)=NN(CC(=O)Nc2ccc(Br)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKMUHFBPTGLTAO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2csc(=O)n2CC(=O)Nc2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVAZYYNZTYSDP-UHFFFAOYSA-N", "SMILES:CCCc1cn(-c2cccc(OC)c2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCUXUQJVKUBIJP-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(C#N)c(=O)n(CC(=O)Nc3ccc(Br)cc3)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGWPTVIXDFUJD-MHZLTWQESA-N", "SMILES:COc1ccc(C2(CNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGGWPTVIXDFUJD-HHHXNRCGSA-N", "SMILES:COc1ccc(C2(CNC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJWCNXINVZNDY-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRJUPFMKLVNMO-DEOSSOPVSA-N", "SMILES:N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRJUPFMKLVNMO-XMMPIXPASA-N", "SMILES:N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZVPHRYZBNRAIA-UHFFFAOYSA-N", "SMILES:CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZKFAPNFNHHLHL-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIYDVNNEXVLIR-LBPRGKRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3588871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAXBSUHCBCRGPW-NDEPHWFRSA-N", "SMILES:COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccc(OC)cn3)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLHIJZNLYUXDZ-CPCISQLKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)Nc1ccc(Br)cc1F)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXSAFBICHCASKH-UHFFFAOYSA-N", "SMILES:CCC1(C(C)C)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYFVBKKHXOLILR-LBPRGKRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLYOCBBJLCFPLC-AWEZNQCLSA-N", "SMILES:CC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGANZDFMICYOIB-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFLQQXWSIKNIQK-AWEZNQCLSA-N", "SMILES:CCOP(=O)(O)CNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQSGUOBKDNQHO-LBPRGKRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCGZSGWHOKVWEC-AWEZNQCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCc1cc(O)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNZAMPDJJNIFRR-LBPRGKRZSA-N", "SMILES:CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFGDWECNJJHANN-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(-c3ccccc3)cnc2NC(=O)c2ccc(OC(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULLPROEEVSJPQ-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(-n2c(-c3ccccc3)cnc2NC(=O)c2ccc(OC(F)F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKOWLGOZGKBUKV-SBBUAOTASA-N", "SMILES:COc1cc(F)c(-n2c(C3CC(N)C3)cnc2NC(=O)c2ccc(OC(F)F)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1370052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUWGOUHVLSVIJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1472767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHHPKFJJSZUSNN-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNZJRXLKUVPBIA-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(-c2c(NC(=O)c3ccc(OC(F)F)cc3)c(=O)n(-c3ccccc3)n2C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLPYTOPPFNWDSO-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2c(=O)c(NC(=O)c3ccc(OC(F)F)cc3)c(-c3c(F)cc(OC)cc3F)n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTPXYQNDBHROPV-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-n2c(=O)c(NC(=O)c3ccc(OC(F)F)cc3)c(-c3c(F)cc(OC)cc3F)n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKEBACBFELQVEL-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(-c2c(NC(=O)c3ccc(OC(F)F)cc3)c(=O)n(-c3cccc(OC(F)F)c3)n2C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGNGXTXGDBEDM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-n2c(=O)c(NC(=O)c3ccc(OC(F)F)cc3)c(-c3c(F)cc(OC)cc3F)n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPLVXIMJZIYHZ-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(-c2c(NC(=O)c3ccc(OC(F)F)cc3)c(=O)n(-c3cccc(-n4ccc(C)n4)n3)n2C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFLUUBSUJMCGRQ-UHFFFAOYSA-N", "SMILES:COc1cc(-n2c(=O)c(NC(=O)c3ccc(OC(F)F)cc3)c(-c3c(F)cc(OC)cc3F)n2C)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIIQFVRUIKYJNE-UHFFFAOYSA-N", "SMILES:COc1cc(F)c(-c2c(NC(=O)c3ccc(OC(F)F)cc3)c(=O)n(-c3ccccn3)n2C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXRPFIJIVDZBR-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCNCC2)nc(-n2c(=O)c(NC(=O)c3ccc(OC(F)F)cc3)c(-c3c(F)cc(OC)cc3F)n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUQNWASSPJOHRD-HSZRJFAPSA-N", "SMILES:Cc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4C(N)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUQNWASSPJOHRD-QHCPKHFHSA-N", "SMILES:Cc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(-c4ccccc4C(N)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRIFPZZZLSRMGA-QFIPXVFZSA-N", "SMILES:NC(=O)c1ccccc1-c1ccc(N2CCC[C@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKYFUXMOAHUHKZ-HSZRJFAPSA-N", "SMILES:COc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4C(N)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYHFGVLULHTSQ-XMMPIXPASA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMEFJRVWJHWURF-HSZRJFAPSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBPSXZPGOQPSJP-OZAIVSQSSA-N", "SMILES:CN(C)C1CCCN(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(C(F)(F)F)cc4)C3=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVKWNMIEOCBZOY-BBRMVZONSA-N", "SMILES:COc1cc(F)c([C@H]2CC(=O)NC[C@@H]2NC(=O)Nc2ccc(Cl)cc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTQBAZMXBJZZOA-PXNSSMCTSA-N", "SMILES:COCCN1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@@H](c2c(F)cc(OC)cc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMBGWVCYCGYLC-PKTZIBPZSA-N", "SMILES:COc1ccc([C@H]2CN(Cc3cnn(S(C)(=O)=O)c3)CC[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXOOUGPDUEMMJ-ROUUACIJSA-N", "SMILES:COc1ccc([C@@H]2CN(CCO)C(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFUIIMPFNQELF-JKSUJKDBSA-N", "SMILES:COc1ccc([C@@H]2COC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVXXDYYACUHEPV-ZGCXKRIGSA-N", "SMILES:COc1cc(F)c([C@@H]2CN(c3c(OC)ccn(C)c3=O)C(=O)[C@H]2NC(=O)NC2CCc3cc(Cl)ccc3C2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZGHBKZOFFZNP-GOSISDBHSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1F)N[C@@H]1CCN(c2ccc(-c3ccccc3F)c(F)c2F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUUQWVXMKBMMKS-LJQANCHMSA-N", "SMILES:N#Cc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKLQQZRLJLJCA-GOSISDBHSA-N", "SMILES:CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUMXUOJSKGMFM-CUQPBNISSA-N", "SMILES:CS(=N)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIIGSYRQKRWIC-LJQANCHMSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTBDTZANZNKSAI-OAQYLSRUSA-N", "SMILES:CCP(=O)(CC)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYNDZTDKDAYWIW-ZPZSTKJISA-N", "SMILES:CCOP(C)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFUBFHYGOVTFKX-LJQANCHMSA-N", "SMILES:CP(C)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYWXVASZSLSEEG-LJQANCHMSA-N", "SMILES:CP(C)(=O)c1c(F)cccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJRZATUTTWCDT-LRDDRELGSA-N", "SMILES:COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(SC(F)(F)F)cc3)o2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVTBABUFIBCHCY-PQAZSJQKSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)[C@@H]1C2CCC([C@@H]1C(=O)O)C21CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYXMMTARLHXZRF-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)C2C(C1=O)C1CCC2C12CC2)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMNDANQOTXFSMO-FJBKBRRZSA-N", "SMILES:CCOC(=O)[C@H]1C2CCC([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIBFRDIOTNENJD-UHFFFAOYSA-N", "SMILES:CC(=O)CCCCc1nc(NC(=O)OCc2ccccc2C)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKULFCSGKWMQX-UHFFFAOYSA-N", "SMILES:CC(=O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGENOZQJJCPCMR-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C4(O)CC4)co3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMOAUFKSGYTVOZ-UHFFFAOYSA-N", "SMILES:COCc1coc(Cn2ncc(NC(=O)c3nc(C)oc3-c3cccc(C)c3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODUINUSJLDZXFS-BWWMBTDCSA-N", "SMILES:O=C(NCCCCN1CCCCC1)[C@@H]1C2CCC([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRZOAYNFYJPSF-OTGCGEFBSA-N", "SMILES:O=C(Nc1ccc(Br)nc1)[C@@H]1C2CCC([C@H]1C(=O)OCCC1CCNCC1)C21CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMHEWPJQVNAHI-MQSUGXTHSA-N", "SMILES:Cc1ccc(C2(NC(=O)[C@@H]3C4CCC([C@H]3C(=O)NCCCCN3CCCC3)C43CC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYGVFSAECAMGSO-YQWJIGRCSA-N", "SMILES:O=C(NCc1ccc(Br)cc1F)[C@@H]1C2CCC([C@H]1C(=O)NC1CCNCC1F)C21CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4475240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDTITZXGIABRLG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXQXBYRSSKFPO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c3c(c4ccccc42)C(=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJGCDHVARDESCU-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2c(n(Cc3ccc(C(=O)NO)cc3)c3ccc(Br)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGYJGCJSLNFJM-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXFHZVBCVGZDRX-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)C(=O)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDOVPRLMRCYJLC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c3c(c4ccccc42)C(=O)C(CN2CCCCC2)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJKXQGXSMTATK-UHFFFAOYSA-N", "SMILES:CC1CN(CC2CCc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWATNHBLZEORZ-UHFFFAOYSA-N", "SMILES:CN1CCN(CC2CCc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSYATZXLFFCCRX-UHFFFAOYSA-N", "SMILES:CCN1CCN(CC2CCc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXYQHXYOUIISY-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C(=O)C1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVWWUFJCWQXJJ-UHFFFAOYSA-N", "SMILES:Cc1nccn1CC1C(=O)c2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)CC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNZOVRHSZUQNEC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c3c(c4ccccc42)C(=O)C(CN2CCN(c4ccc(F)cc4)CC2)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSLSVYFSXECFQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CC3CCc4c(c5ccccc5n4Cc4ccc(C(=O)NO)cc4)C3=O)CC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLGBDKJODSVNK-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CC2CCc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMSIPPLGBUEFFU-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)C(=O)C(CN2CCOCC2)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPQWNMYTXBPMAT-UHFFFAOYSA-N", "SMILES:CN1CCN(CC2CCc3c(c4cc(F)ccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMMVDYHPOHPNFB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CC2CCc3c(c4cc(F)ccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMUNYHDWBDTBOW-UHFFFAOYSA-N", "SMILES:Cc1nccn1CC1CCc2c(c3cc(F)ccc3n2Cc2ccc(C(=O)NO)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCCYEQSHXXYQE-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(CC2CCc3c(c4cc(F)ccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWMMWTLZMHNUSN-UHFFFAOYSA-N", "SMILES:CCN1CCN(CC2CCc3c(c4cc(F)ccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFEZNUXNQDUPJS-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(CC2CCc3c(c4cc(F)ccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDRUSAYWVUVFBQ-UHFFFAOYSA-N", "SMILES:CC1(C)Cc2c(c3cc(F)ccc3n2Cc2ccc(C(=O)NO)cc2)C(=O)C1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRSBNZBSENXZAA-UHFFFAOYSA-N", "SMILES:CN1CCN(CC2C(=O)c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccc(F)cc34)CC2(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEDMSVXWKXTGU-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)c2c(C(F)(F)F)nn(Cc3ccc(C(=O)NO)cc3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMVSNPJJYBMIKK-UHFFFAOYSA-N", "SMILES:Cc1c2c(n(Cc3ccc(C(=O)NO)cc3)c1C)CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWCADRNHAYPANU-UHFFFAOYSA-N", "SMILES:Cc1c2c(n(Cc3ccc(C(=O)NO)cc3)c1C)CC(C)(C)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDFXCPBORXQULA-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccc(C(=O)NO)cc2)c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZSEVDXKSKRIQ-UHFFFAOYSA-N", "SMILES:Cc1cn(Cc2ccc(C(=O)NO)cc2)c2c1C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLGNCMIDPMWEE-UHFFFAOYSA-N", "SMILES:Cc1cn(Cc2ccc(C(=O)NO)cc2)c2c1C(=O)CCC2"]}
{"name": "Sodium/hydrogen exchanger 5", "xref": ["CHEMBL.TARGET:CHEMBL3058"], "id": "UniProtKB:Q14940", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODVNECFJBFCRO-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc(N)c(C(=O)NC(=N)N)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGMLOPPGKLUGFV-UHFFFAOYSA-N", "SMILES:COCCN(C)c1nc(N)c(C(=O)NC(=N)N)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOODOUYGYYADBQ-UHFFFAOYSA-N", "SMILES:CN(CCCO)c1nc(N)c(C(=O)NC(=N)N)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEBKUXSIFZQRA-UHFFFAOYSA-N", "SMILES:CN(CCCCO)c1nc(N)c(C(=O)NC(=N)N)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYIAMGMHHSQZIE-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc(N)c(C(=O)NC(=N)N)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUGCGRQEHSDOTJ-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc(N)c(C(=O)NC(=N)N)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIDSSBXCHXWEU-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc(N)c(C(=O)NC(=N)N)nc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDSOUZWKOBDOGP-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc(N)c(C(=O)NC(=N)N)nc1-c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWUOKRRZOWRMMM-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc(N)c(C(=O)NC(=N)N)nc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRCGWHHBGFVBEY-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc(N)c(C(=O)NC(=N)N)nc1-c1ccc(C(F)(F)F)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOZOBGVZUJFJED-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc(N)c(C(=O)NC(=N)N)nc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOTGJIBEBRYYHC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(C(=O)NC(=N)N)c(N)nc2N(C)CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBSDEMBTTVVKDL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc(C(=O)NC(=N)N)c(N)nc1N(C)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJCBLZHDTNQSGO-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(C(=O)NC(=N)N)c(N)nc2N(C)CCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWPMNOXJSAPTE-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2nc(C(=O)NC(=N)N)c(N)nc2N(C)CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOWIAHYIFHTDC-UHFFFAOYSA-N", "SMILES:CCCc1ccc(-c2nc(C(=O)NC(=N)N)c(N)nc2N(C)CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGYAVWQLAEHPC-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2nc(C(=O)NC(=N)N)c(N)nc2N(C)CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBDUQEQEKOTJMK-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc(N)c(C(=O)NC(=N)N)nc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDIEJNWCNNWMP-UHFFFAOYSA-N", "SMILES:CN(CCO)c1nc(N)c(C(=O)NC(=N)N)nc1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORFENHUBPMMNJ-ZLKHBANCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYSZEZFKNLPKJY-NUWKYFHMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPAVDBKPIQERNE-UJIQNNOBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTTGFTUKOBCOFP-UEOLRSCXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPZRBBHLFWEYAG-MAFKNJPWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAVVEEJGALCVIN-AGVBWZICSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3785455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWDOHVSTMORFKO-ALERXTORSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJUTFDGJCERQX-FMVQCECXSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOVBYLDJNNTHRJ-HAYALECJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIJDPYZTUFAEU-VQVBVQPQSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](C(N)=O)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZRGKDGUQHUAS-YQQFOEJGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBJMURCMNTDLJ-ZNZOAAGHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITIWHZVWQLRWSO-ROAQSGRJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNGLDYXFDNFEX-JWDRSOGYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAOHPZQSKWYCLB-BWVMMWDHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTORYCSJDNNQSH-DEUCSSKNSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACFTYZIGPHKKN-MXTJQQBJSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQIJZAKGCNFGON-XVVGXHFPSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HACHAZUTKARURX-MOGUQRPFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEYSQVKIKPKFX-ZTNVRCSWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@@H](C(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBMFEYJXZTCEA-FXIKPESISA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDNRKHEKKMOBV-UDVPIEQESA-N", "SMILES:C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENCTWHWLWHQNK-YSFOXDICSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOQLLROYAMJAOA-YMOWUADOSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHQZJFCCMPOZRK-CMDAFTHHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQRYZZKMTAWSNU-CMDAFTHHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRMCCOKMDYKCOY-CMDAFTHHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZPSYUZYVINBQ-DITTUNGRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRXDCZYPLKRHBN-WVASAAKCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPUZYKPNUVTROY-WVASAAKCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMIXCGBPZNUDIF-VRACNRBSSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLZBUXNRNSHGMP-AFYYEHOASA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIVWKJMESVMWPL-ASWGBKSPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTBCDZWVZJCVKZ-NRFANRHFSA-N", "SMILES:CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(-c3ccc(C#N)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBGONSDSVAEVEW-QBWBYSJJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXLYVMOBYBNVEL-NBAFEDJBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)CC1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKAOBJDWNMTRSV-DBESADCWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBMKJQIFXWIZDC-SDHOMARFSA-N", "SMILES:CSCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPXOEASVYZFKT-LTWYSMNZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC[S+](C)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZLMFVFEFRXJLP-UWDVWBIHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZNBSGLFGOEGJ-WIXBZOCESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFAQHODPXFJTHH-DJHGOXGWSA-N", "SMILES:COCCC(C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPAHWDKLAMIPHK-PAIGMYNKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)CC1CCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPXGQANYGJVWCA-UWDVWBIHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMCKKQSOOPTFSV-AXJMSPCVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHSFXRHMJCDQMU-KEKPXRHTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHIPFMRMCQKEY-VYCPFJESSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)CCF"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWCANVXSQQVGIZ-KEKPXRHTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFZDCYXPRXQTGV-KXNJDZORSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(C=O)CC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFOIQNYTTYSCY-IODMJEBQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(/C=C1\\CCOC1=O)CC1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFOIQNYTTYSCY-CIUSRJSNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C1\\CCOC1=O)C[C@@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFOIQNYTTYSCY-ZKXHCYTNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C1\\CCOC1=O)C[C@H]1CCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYLNRIAOEOAOOS-FMHVXOCQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C1\\CCOC1=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGKFLJYMSOYPA-QYVZARNFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCO1)C(=O)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZMPCWEWWIPQX-VNNZRSTGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVYQMDTVYSHEP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2c3c(nc4c(F)c(-c5c(O)cccc5F)c(Cl)cc24)NC(=O)NC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWZAYQVRLUJNC-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OCCN3CCCC3=O)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABVZCBJMBAVTME-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OCCN3CC(F)(F)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFMJADVWZMIELJ-CVEARBPZSA-N", "SMILES:C=CC(=O)N1C[C@H](C)N(c2nc(OCCN3CC(F)(F)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOONYNWSXSDXOK-MSOLQXFVSA-N", "SMILES:C=CC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5cn[nH]c45)c(Cl)cc23)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLBIFWNYWTXKPA-KKLQWCBXSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(N3CC(N(C)C)C3)nc3c2C[C@@H](C)[C@H](c2c(Cl)c(C)cc4[nH]ccc24)C3)C[C@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTOVJHAZYWFWNV-DIAVIDTQSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(N3CC(N(C)C)C3)nc3c2C[C@@H](C)C(c2c(C)c(Cl)cc4[nH]ncc24)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSDUGEDKFQBKNF-RTBURBONSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(O[C@@H]3CN(C)C[C@H]3OC)nc3c(Oc4c(Cl)c(Cl)cc5[nH]ncc45)nc(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCIGHJJCNDERHV-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(Oc3cccc4c3CCN(C)C4)nc3c(Oc4c(Cl)c(F)cc5[nH]ncc45)nccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTIPIUHNKIRHV-AHEMVDSESA-N", "SMILES:C=C(F)C(=O)N1CCN(c2nc(CO[C@@H]3CCCN3CCCOCCC(=O)N[C@@H](C(=O)C3N[C@H](C(=O)NCc4ccc(-c5scnc5C)cc4)C[C@H]3O)C(C)(C)C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUCSTKVIBMNYLW-JGYJGYTHSA-N", "SMILES:C=C(F)C(=O)N1CCN(c2nc(CO[C@@H]3CCCN3CCC(=O)NCCOCCOCCC(=O)N[C@@H](C(=O)N3[C@H](O)CC[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFHHSQNNGXFEMZ-MDHWUODPSA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2C[C@@H](C)C(c2cc(O)cc4ccccc24)C3)[C@@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYIXUZKYHPHSRC-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL490286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGYXDMVVOTCTM-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEMCHFQVUOJHJX-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZDYRREEOGDCR-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MANWGFGLBDEHNY-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3ccc(Br)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJPKAABMOUPNSW-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3ccccc3I)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSGHZDZCGJAFOQ-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3ccc(I)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABHZKAMZGPLST-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3ccc(C#N)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLLIWABSJNIWDA-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEDSOJNSARQZTQ-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQQDZDRRYYFXFO-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMHQKYGSDYALQU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1I)Nc1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBTAEBCJHCNXFN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ccc2c1)Nc1ccccc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNBJECMUMXSAMZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNAXVNRFYAIMAW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSYXKCPDXLBYGA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWYFOPQLQYSOCC-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NC(=O)Nc3cccs3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLAXNFNMDHNHA-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3ccccc3C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHLPVELAXBVLPD-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3ccccc3Cl)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKMTXQRIXKRNAH-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3cccs3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXIWZYNHPANAFR-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(F)c1)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCXMALAKYVDZBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJKQJVPUIYFCS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBGEABGCACQRL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDPYOAVETXEBG-UHFFFAOYSA-N", "SMILES:Nc1onc2nc(-c3ccccc3)cc(-c3ccc(NC(=O)CCc4ccco4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLFMWMOEEPFKFD-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)Nc2ccc(-c3ccnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCZIUZRMJVRXAO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYZHDIDMSOIML-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFTYAGRDLPLHG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)Nc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAZMYYKZLQPFHQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJONJBIWZLPEON-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)Nc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUPAGWMZDIDFOB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEADQZKZEFERGP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNDGUVUTKILGJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAMUQIOVLIUCHA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAPMKULMYGROOA-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHNEKVLDKCEQY-JVVVGQRLSA-N", "SMILES:CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN([11CH3])CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL481806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHNEKVLDKCEQY-UHFFFAOYSA-N", "SMILES:CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL398509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPPIQKPNBIUKY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCCCC3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTTJGQBDGMNWHJ-SANMLTNESA-N", "SMILES:COc1cc(C2CN(C(=O)c3cc(COC[C@@H](O)CO)ccn3)C2)ccc1OCc1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDBSPFRUYCOAIX-IYWAHCOCSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc3nc(N([11CH3])[C@@H]4CCCC[C@H]4O)sc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDBSPFRUYCOAIX-QZTJIDSGSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc3nc(N(C)[C@@H]4CCCC[C@H]4O)sc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUUGVECDJPBELR-UHFFFAOYSA-N", "SMILES:CN(CCN(C)C1CC1c1ccccc1)C(=O)Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHHRTJTFQLSRP-UHFFFAOYSA-N", "SMILES:CN(CCN(C)C1CC1c1ccccc1)C(=O)Oc1ccc(COC(=O)Nc2ccccc2NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUCCPXBJMQOJMQ-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(c3ccccc3Cl)=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFAVXUHSPFYSLI-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGGGSXKPHJBAR-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(c3c(Cl)cccc3Cl)=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGMVWDDVTSQRLI-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(c3ccccc3Br)=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYVBSMJNHSEWSA-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(c3ccccc3I)=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKWPQDUODSHPBY-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(c3ccccc3F)=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDQBZCUTPQCLBV-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(c3ccccc3[N+](=O)[O-])=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VINFHGWFKCWIPO-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=NOC2(CCC(=O)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKTBPSUWUCWUFM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=NOC3(CCC(=O)NC3=O)C2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPXBYVPKKWXMOT-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(c3ccc(C(=O)O)cc3)=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLKSGMPZSHADS-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(c3cccnc3)=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVVUHKXQIOZSS-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(C3CCCCC3)=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOWYUOJDYCKZRW-UHFFFAOYSA-N", "SMILES:O=C1CCC2(CC(C3CCCC3)=NO2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAZWNLVYHKDPJX-UHFFFAOYSA-N", "SMILES:CCCC1=NOC2(CCC(=O)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKOIPMCPLZOHPG-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1=NOC2(CCC(=O)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWGQTVPLOSWYGT-UHFFFAOYSA-N", "SMILES:CCC(CC)C1=NOC2(CCC(=O)NC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQNZVVDFWNHDO-UHFFFAOYSA-N", "SMILES:CC1CC(=O)NC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUJCWMGBRDBPDL-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)NC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXCKEQGIKPULNU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3)cc(NC(=O)c3ccccc3)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDNAKRUIARBLPX-UHFFFAOYSA-N", "SMILES:Cc1sc(NC(=O)CCCC(=O)Nc2sc(C)c(C)c2C(N)=O)c(C(N)=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEFDQIPDJODTMO-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)sc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQAHRDIOTHFXTR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccc(O)c3)o2)sc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXCWNFYZNXLSNU-UHFFFAOYSA-N", "SMILES:CCc1nnc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)cc3)c2C#N)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1322226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHIVUAHQJLBMHL-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUFGKGLXWIYOL-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QARNHTMGTLJXRC-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZVOKPYIPLOWFN-UHFFFAOYSA-N", "SMILES:CCOc1ccc2cc(C#N)c(SCC(=O)NCCc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCUNBKGRIBFTRL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3c(C)c(C)cc(C)c3C)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMYPBCLHMXJGZ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1463946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMDNMNJIJEJKK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(NC(=O)CSc2n[nH]c(CNc3ccccc3)n2)sc(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHSYBLNUXNFULS-UHFFFAOYSA-N", "SMILES:CCOC(=O)CC(=O)CSc1nc(C)c2cc(OCC)ccc2n1"]}
{"name": "Peptidyl-prolyl cis-trans isomerase FKBP8", "xref": ["CHEMBL.TARGET:CHEMBL5291572"], "id": "UniProtKB:Q14318", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEZSJALNCORZIQ-UHFFFAOYSA-N", "SMILES:CCC1CCc2c(sc(NC(=O)CCCC(=O)Nc3sc4c(c3C(N)=O)CCC(CC)C4)c2C(N)=O)C1"]}
{"name": "Aryl-hydrocarbon-interacting protein-like 1", "xref": ["CHEMBL.TARGET:CHEMBL6067455"], "id": "UniProtKB:Q9NZN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small glutamine-rich tetratricopeptide repeat-containing protein alpha", "xref": ["CHEMBL.TARGET:CHEMBL6066222"], "id": "UniProtKB:O43765", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DnaJ homolog subfamily C member 7", "xref": ["CHEMBL.TARGET:CHEMBL5724907"], "id": "UniProtKB:Q99615", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial import receptor subunit TOM34", "xref": ["CHEMBL.TARGET:CHEMBL6066215"], "id": "UniProtKB:Q15785", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial import receptor subunit TOM70", "xref": ["CHEMBL.TARGET:CHEMBL6066210"], "id": "UniProtKB:O94826", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095164", "category": ["biolink:ChemicalEntity"], "name": "OSUNPROTAFIB", "xref": ["InChIKey:DVFCRTGTEXUFIN-GFCCVEGCSA-N", "SMILES:CC(C)CCN[C@@H]1CCc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2C1"], "synonym": ["Osunprotafib", "Osunprotafib", "Osunprotafib", "Abbv cls 484", "Abbv-cls-484", "Osunprotafib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWLNWLJBZNMAZ-UHFFFAOYSA-N", "SMILES:CCN1CCc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKSXFCNKUJJHHX-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3c(c2F)CCNCC3)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSZWJINLHGTHRJ-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRKFNXBYFPUSBP-UHFFFAOYSA-N", "SMILES:CC(C)N1CCc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQVJHVDAKQWYHX-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3c(c2F)CCN(CC2CC2)CC3)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHFWJPORIWEHFH-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3c(c2F)CCN(CC(F)F)CC3)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVSREFKZVNSANX-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3c(c2F)CCN(CCC2CC2)CC3)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEVNAOGAZIKSO-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3c(c2F)CCN(CCCC2CC2)CC3)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNUGBODRUHPSOO-UHFFFAOYSA-N", "SMILES:CC1Cc2c(cc(O)c(N3CC(=O)NS3(=O)=O)c2F)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNIRYFLBKHWKGM-UHFFFAOYSA-N", "SMILES:CCC1Cc2c(cc(O)c(N3CC(=O)NS3(=O)=O)c2F)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDLMMULTGRMIQG-UHFFFAOYSA-N", "SMILES:CC1Cc2c(cc(O)c(N3CC(=O)NS3(=O)=O)c2F)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQPDERVPWWLGKN-UHFFFAOYSA-N", "SMILES:CC1Cc2c(cc(O)c(N3CC(=O)NS3(=O)=O)c2F)CCN1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZIPFEPLPZPUHT-UHFFFAOYSA-N", "SMILES:CCC1Cc2c(cc(O)c(N3CC(=O)NS3(=O)=O)c2F)CCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZXFXDZMGXRZBD-UHFFFAOYSA-N", "SMILES:COCCCNCC(=O)N1CCc2sccc2C1COc1ccc(Cl)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPTGUSPVGHUCQF-UHFFFAOYSA-N", "SMILES:C=CCNCC(=O)N1CCc2sccc2C1COc1ccc(Cl)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEENEMOEBJOKGN-UHFFFAOYSA-N", "SMILES:CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFOBFSWBFVJQHL-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC(Br)C(=O)SCCNC(C)=O"]}
{"name": "Palmitoyltransferase ZDHHC3", "xref": ["CHEMBL.TARGET:CHEMBL6067466"], "id": "UniProtKB:Q9NYG2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTHPWZRRQHIAHV-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCC(Br)C(=O)OC"]}
{"name": "Palmitoyltransferase ZDHHC7", "xref": ["CHEMBL.TARGET:CHEMBL6066246"], "id": "UniProtKB:Q9NXF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXPDCZIJAVTAO-SFTDATJTSA-N", "SMILES:CCCCCCCCCC[C@@H]1OC(=O)[C@H]1CCCCS(=O)(=O)CCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBNSKPZTKKCLDP-PMACEKPBSA-N", "SMILES:C#CCCCCCCCC[C@@H]1C(=O)O[C@H]1CCc1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAQBMRDGOXAQTK-SFTDATJTSA-N", "SMILES:C#CCCCCCCCC[C@@H]1OC(=O)[C@H]1CCCCS(=O)(=O)CCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUOZFKPRCIPXMF-DQEYMECFSA-N", "SMILES:C#CCCCN(C)CCCS(=O)(=O)CCCC[C@@H]1C(=O)O[C@H]1CCCCCCCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQHLYUJXMBAOL-IBGZPJMESA-N", "SMILES:COc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccccc3Cl)c3c2cnn3C(C)C)cc1OC"]}
{"name": "Serine palmitoyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL1250344"], "id": "UniProtKB:O15270", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOKGQUKWOUYHHS-KRWDZBQOSA-N", "SMILES:COc1cc(C(=O)N2CC[C@H](NC(=O)c3ccccc3OC(F)(F)F)c3c2cnn3C(C)C)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULGWHWQJLRHOQ-IEBWSBKVSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)c3nccnc3c2)C[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMPGCYGMGHANIC-YTTGMZPUSA-N", "SMILES:COc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccccc3OC(F)(F)F)c3c2cnn3CCCCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)cc1OC"]}
{"name": "Serine palmitoyltransferase 3", "xref": ["CHEMBL.TARGET:CHEMBL6066332"], "id": "UniProtKB:Q9NUV7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZKIFYALUURDI-MUNPNKEOSA-N", "SMILES:CC(C)Cc1ccc(C(C)CN2CCNC[C@@H]2CCCCN2CCN(CC(C)c3ccc(CC(C)C)cc3)[C@@H](Cc3ccc(O)cc3)C2)cc1"]}
{"name": "Palmitoyltransferase ZDHHC9", "xref": ["CHEMBL.TARGET:CHEMBL6067465"], "id": "UniProtKB:Q9Y397", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNZDHGOAQRSMRD-VHCNLTPGSA-N", "SMILES:CC(C)Cc1ccc(C(C)CN2CCN(CCCC[C@H]3CNCCN3CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]2Cc2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMQJDWIUTQWPGX-WOJBJXKFSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2cc(C3CCOCC3)nn2)[C@H](OCc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5433922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAWNRUJSYWYJX-HZPDHXFCSA-N", "SMILES:C=C(F)C(=O)N1C[C@@H](Nc2ncccn2)[C@H](OCc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3133032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTCLGBKBZSVSLS-UHFFFAOYSA-N", "SMILES:CN(C)CCOB(c1ccccc1)c1ccc(COCc2ccc(B(OCCN(C)C)c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1903566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPTMHNPBMQCQPG-UHFFFAOYSA-N", "SMILES:CC(C)(C)C1CCN(C(=O)n2ncc(C(O)(c3ccccc3)c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXKNHBBDOIMFFQ-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1316155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBHURSUORSLAHL-OAHLLOKOSA-N", "SMILES:CC[C@@]1(c2cccc(C)c2)C(=O)N(C(=O)OC)N1C(=O)OC"]}
{"name": "Palmitoyl-protein thioesterase ABHD10, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066317"], "id": "UniProtKB:Q9NUJ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2136724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWFJUWIADRFCX-LJQANCHMSA-N", "SMILES:CC[C@@]1(c2ccc(C)cc2)C(=O)N(C(=O)OC(C)C)N1C(=O)OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFFBQQGXZVASRE-PXIJUOARSA-N", "SMILES:COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@@H]2OC(=O)[C@@H]2[C@H]3c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKIPFHXDWMISAV-UHFFFAOYSA-N", "SMILES:COc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBBAPPWVJEOMC-MNDPQUGUSA-N", "SMILES:CCCCCCCCCCCCCC1OC(=O)/C1=C\\CCCCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231506", "category": ["biolink:ChemicalEntity"], "name": "TEGLICAR", "xref": ["InChIKey:BMZYTDRMCBZVNH-HXUWFJFHSA-N", "SMILES:CCCCCCCCCCCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C"], "synonym": ["Teglicar"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232077", "category": ["biolink:ChemicalEntity"], "name": "OXFENICINE", "xref": ["InChIKey:LJCWONGJFPCTTL-ZETCQYMHSA-N", "SMILES:N[C@H](C(=O)O)c1ccc(O)cc1"], "synonym": ["Oxfenicine", "Oxfenicine", "Oxfenicina", "(s)-(4-hydroxyphenyl)glycine", "4-hydroxyphenylglycine, (s)-", "L-2-(p-hydroxyphenyl)glycine", "UK-25,842", "UK-25842", "Oxfenicine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5561479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YADSEVYQFYJUIK-UPVQGACJSA-N", "SMILES:CCCCCCCCCCCCCCC[C@]1(O)C[C@H](CC(=O)[O-])C[N+](C)(C)C1"]}
{"name": "Carnitine O-palmitoyltransferase 1, liver isoform", "xref": ["CHEMBL.TARGET:CHEMBL3858"], "id": "UniProtKB:P32198", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIIALPQJIBSJRM-HXUWFJFHSA-N", "SMILES:CCCCCCOc1cccc(OCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMNFEHDZQAODON-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(CCCSc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL12618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGIJQXGDQVNWKH-QGZVFWFLSA-N", "SMILES:CCCCCCCCCCCCCC[C@]1(C(=O)O)CO1"]}
{"name": "Carnitine O-palmitoyltransferase 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4037"], "id": "UniProtKB:P18886", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203266", "category": ["biolink:ChemicalEntity"], "name": "TRIMETAZIDINE", "xref": ["InChIKey:UHWVSEOVJBQKBE-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCNCC2)c(OC)c1OC"], "synonym": ["Trimetazidine", "Trimetazidine", "Trimetazidina", "Dilatan", "Trimetazidine", "Vastarel", "Vastarel mr"], "chembl_natural_product": true}
{"name": "Carnitine O-palmitoyltransferase 1, muscle isoform", "xref": ["CHEMBL.TARGET:CHEMBL3216"], "id": "UniProtKB:Q63704", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANOEARWEWNMSC-UHFFFAOYSA-N", "SMILES:O=C(O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPZKHICEEDMLAD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2216778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMZZHWOSLFWWAJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)N1CC(C(=O)O)Oc2ccc(C(=O)Nc3cccc(F)c3)cc21"]}
{"name": "Serine palmitoyltransferase small subunit B", "xref": ["CHEMBL.TARGET:CHEMBL6067597"], "id": "UniProtKB:Q8NFR3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGCVMWVDWVZMN-CPFYJJDLSA-N", "SMILES:CC#CCOc1ccc(C[C@H](NC(=O)[C@@H](/C=C/CCCCCCC(=O)CCCCCCC)[C@@](O)(CC(C)=O)C(=O)O)C(=O)O)cc1"]}
{"name": "Non-structural protein 4b", "xref": ["CHEMBL.TARGET:CHEMBL6066153"], "id": "UniProtKB:F5B4I0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3052230"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVAOOKCCUBGSMI-MXAPAKLGSA-N", "SMILES:CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLISRUYSWZVRTN-MXAPAKLGSA-N", "SMILES:CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLYFQWXHPIOMKK-UHFFFAOYSA-N", "SMILES:CCCCCCN(C(C)=O)C(C(=O)NCc1ccccc1)c1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAKZURIVVLDHR-UHFFFAOYSA-N", "SMILES:CCCCCCCCN(C(C)=O)C(C(=O)NCc1ccccc1)c1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYKJTJYUTZMHKU-UHFFFAOYSA-N", "SMILES:Cc1nc(N)c2c(CCc3ccc(C(=O)O)cc3)coc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOBUNKZIGSHBZ-LBPRGKRZSA-N", "SMILES:Cc1nc(N)c(CCC2CCN(C(=O)[C@H](C)NC(=O)c3ccnn3C)CC2)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMLLEUEIJSJSU-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEFZSQDWYLJDHU-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRFYZDLVWNMVTF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLGCHYSXNQYQPY-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWEBVZGGSPXQFH-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCVOCQKAGPDSDE-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc(OC)c1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMRHGUPNPYOJV-UHFFFAOYSA-N", "SMILES:CSc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQXOIRSDOEJKK-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHPNGADRGHAWED-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UORVACMEJCLURN-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXKHVJHGOPIOQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIQOYAGLFTDJC-FLXSYLCISA-N", "SMILES:OC[C@H]1O[C@@H](Cc2cc(-c3c[nH]c4ccccc34)on2)[C@H](O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCULJDYEKIABFV-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIQXEAXOPCBNCA-UHFFFAOYSA-N", "SMILES:Cn1cccc1C(=O)N1CCN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWGTIWVSMYTCG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5csc(Br)n5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVMWGKRQDUDXGM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccccn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVIJLRODKDBON-UHFFFAOYSA-N", "SMILES:Cn1cncc1C(=O)N1CCN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWOPWRFTBIKYGA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBFWUZPUICDYCV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXBUOUEZDJIAV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3F)CC2C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGMNJMCOSLZKRR-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)N1CCN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2F)CC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RONJODICNPJBCE-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2F)CCN1C(=O)c1ccc(Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXSEENXEFOIPS-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2F)CCN1C(=O)c1ccc(Br)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFRWKSUNAHGYEF-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)NC4CCN(c5ccco5)C4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABKMHCCATBMDTC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)NC4CCN(c5ccc(Cl)o5)C4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXAIQNWSLLVIKA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)NC4CCN(c5ccc(Br)o5)C4)c(F)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNJBQNJMFTTXOL-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(I)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWJMOECVMVDVPI-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(C(F)(F)F)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDPGCPZBAKNZDF-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLUGTJFYQBHOJI-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCC(=O)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSVACDBXUSCSHQ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCC(=O)c2ccc(O)cc2)ccc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJGLSKQIJBUVCY-UHFFFAOYSA-N", "SMILES:Cc1cc(I)ccc1OCC(=O)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUJGPXTKZEJCS-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1Cl)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPUSYHKYHWEWRN-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCC(=O)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHISKVANJLBATG-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC(=O)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVDVMTMJLQCVPD-UHFFFAOYSA-N", "SMILES:COc1ccc(OCC(=O)c2ccc(O)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KITSKGPGETYHIP-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Br)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPVGWUGFHDDMCP-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDBAEHDFVFFNU-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Br)cc1Br)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSPKWYQSAWBRB-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Br)cc1Cl)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVVSVJFXUOYMTH-UHFFFAOYSA-N", "SMILES:O=Cc1ccc(OCC(=O)c2ccc(O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNTZQDABTXQDNH-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRDHFMFTZPSHT-UHFFFAOYSA-N", "SMILES:N#Cc1c(F)cc(OCC(=O)c2ccc(O)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHZFGJRURAETFM-UHFFFAOYSA-N", "SMILES:O=C(COc1c(F)cc(Br)cc1F)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUZANBZNFYSRY-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc(I)c1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWWXAXUQFKKKGC-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(F)cc1F)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXRQQXGVPFIEG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(OCC(=O)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLWBRRZAIMLDA-UHFFFAOYSA-N", "SMILES:O=C(COc1c(Cl)cc(Br)cc1Cl)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNAZKDVSCVQVKY-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Br)cc1F)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKLWDKXGMFVAEW-UHFFFAOYSA-N", "SMILES:O=C(COc1cccc(O)c1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRYMWWULRQQJP-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(O)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHVMZVURSFTQHE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(OCC(=O)c2ccc(O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPFUTGPZPJDTD-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Br)cc1F)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSWJZWIRYGNBPB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)COc2ccc(I)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDIIULHZVGGHSI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)COc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWZHPRSUMPTST-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEEUGEXJIUDVJA-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)COc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWPLIBCFJBUSU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)COc2ccc(I)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGNTJXMCNVIAS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)COc2ccc(I)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZKJJYWINSUMJ-UHFFFAOYSA-N", "SMILES:O=c1c(Oc2ccc(I)cc2)coc2cc(O)ccc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3114673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGOFVWMHMQISHB-NKUHCKNESA-N", "SMILES:N[C@@H](CCP(=O)(O)C(O)c1ccc(OCC(=O)O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKBMPHGOGUDZCR-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Br)cc1F)c1ccc(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEYOSCNUWPITBO-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Br)cc1F)c1cc(F)c(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYDVHKCVOMGRSY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIAWKVNYAQJMJ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYFVJMANAGXNHS-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Oc3ccc(Br)cc3)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLICEMIIGBFEJV-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(Oc3ccc(Cl)cc3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORZJDMLVXLYIT-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVRDEJWGVIEJDJ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUSYBUXYMAVLJQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(Oc2ccc(-c3cnco3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLFKTTIMNDMSJQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKKSAXMAGZDFK-UHFFFAOYSA-N", "SMILES:Cl.Clc1ccc(Oc2ccc(N3CCNCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEGRGVWESMESQM-UHFFFAOYSA-N", "SMILES:O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1)c1ccccc1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWSTYBTZXKCGE-UHFFFAOYSA-N", "SMILES:O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1)c1ccccc1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRYIMDQWSRUOOR-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQRSQGOLKUSNJJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKHFEVMSHAUHB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFLXFFHAVGERDP-UHFFFAOYSA-N", "SMILES:Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)Cc2ccc(C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYOBHPAJSXZBSI-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKUISCUIVGTRI-UHFFFAOYSA-N", "SMILES:CCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIHUEGAGTWCAOJ-UHFFFAOYSA-N", "SMILES:O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1)c1ccccc1C(F)(F)F)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVVCOBIEUNDAC-UHFFFAOYSA-N", "SMILES:O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c1ccccc1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVOYFFMFJBJCRU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WORLSQOIFHQYBK-UHFFFAOYSA-N", "SMILES:CCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)Cc1ccc(C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXIJPTJWEUFJKI-UHFFFAOYSA-N", "SMILES:O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c1ccccc1C(F)(F)F)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUGXGVVGGVKRL-WJOKGBTCSA-N", "SMILES:COc1ccc(C(=O)N2CCC3(CCC(CN4CCC(C(=O)N5CCC(c6cc7c(N[C@H](C)c8cc(N)cc(C(F)(F)F)c8)ncnc7n(C)c6=O)CC5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUTHCLUTRFIAKK-SNTUXTEOSA-N", "SMILES:COc1ccc(C(=O)N2CCC3(CCC(CN4CCN(C(=O)[C@H]5CC[C@H](c6cc7c(N[C@H](C)c8cc(N)cc(C(F)(F)F)c8)ncnc7n(C)c6=O)CC5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUTHCLUTRFIAKK-VSACWKETSA-N", "SMILES:COc1ccc(C(=O)N2CCC3(CCC(CN4CCN(C(=O)[C@H]5CC[C@@H](c6cc7c(N[C@H](C)c8cc(N)cc(C(F)(F)F)c8)ncnc7n(C)c6=O)CC5)CC4)CC3)CC2)cc1N1CCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314555", "category": ["biolink:ChemicalEntity"], "name": "LIRAFUGRATINIB", "xref": ["InChIKey:XOQVZSSDIQQUGO-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)Nc1ccc(-c2c(-c3ccc(Oc4nccc(C)n4)c(F)c3)c3c(N)ncnc3n2C)cc1"], "synonym": ["Lirafugratinib", "Lirafugratinib", "Lirafugratinib", "Lirafugratinib", "Rly 4008", "Rly-4008", "RLY-4008", "RLY4008", "Lirafugratinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHILMGVBNVWONY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(-c2c(-c3ccc(C4(N(CC)C(C)C)COC4)c(F)c3)c3c(N)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKHZRWKTJZXRY-UWCRVIMOSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCOc2ccccc2-c2csc(-c3csc(Nc4ccc(Cl)cc4)n3)n2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGQETNDZUSLTK-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc(-c3nc(-c4ccccc4)cs3)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCRVTEZMCBPWGN-YWBCJBABSA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCC.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLUDYEDPXNSPGO-XWIRJDCTSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@H](O)CCCCCCCCCCCCCCC.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVNNVYIOPGFEU-YKFPZJRISA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N(C)C(=O)CCCCCCCCCCCCCCC.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJZWKMSUXAGKMH-CARKWVRUSA-N", "SMILES:CCCCCCCCCCCCC/C=C/C[C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCC.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMXKWVQECXRDN-YKFPZJRISA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](OC)[C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCC.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNCWICZYRLYPND-YKFPZJRISA-N", "SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OC)NC(=O)CCCCCCCCCCCCCCC.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYNWJOURHRIIPN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2Cc3ccc(O)c(O)c3C2=O)cc1"]}
{"name": "RNA-directed RNA polymerase L", "xref": ["CHEMBL.TARGET:CHEMBL5725024"], "id": "UniProtKB:P37800", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11590"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLAPRLGXHRZBNV-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSQANPXZGIRGAG-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGABXQTYCAQROR-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL568970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUHYQAPPZWLZDX-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1Cc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVNRPHJSVCMRED-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVHMHWHBWHJEQK-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1CCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGIQFFSVUHYQDW-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1Cc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULMJTVYYICJEMW-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1Cc1cc(O)c(O)c(O)c1"]}
{"name": "RNA-directed RNA polymerase L", "xref": ["CHEMBL.TARGET:CHEMBL6066226"], "id": "UniProtKB:Q9E005", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:1980456"]}
{"name": "RNA-directed RNA polymerase L", "xref": ["CHEMBL.TARGET:CHEMBL6066228"], "id": "UniProtKB:A5HC98", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:11577"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLROXRGZCWDGPG-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL253342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQNDWWKBFCHMH-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1Cc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWJXPQRBSDASB-UHFFFAOYSA-N", "SMILES:O=C1c2c(ccc(O)c2O)CN1Cc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGWQMONRVJIYHC-UHFFFAOYSA-N", "SMILES:CCNC(=S)NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYFDSNGSUNBGU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3cccc(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTMAWNXDQYLSAO-UHFFFAOYSA-N", "SMILES:CCN1CCC(Oc2ccc(OCCc3ccccc3NC(=O)c3cc4sccc4n3C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGIDWCQQCONCPR-UHFFFAOYSA-N", "SMILES:COCc1cccc(NC(=O)c2cc3sccc3n2C)c1CCOc1ccc(OC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHHLOHSIAJZKW-OAQYLSRUSA-N", "SMILES:CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1CCOc1ccc(OC[C@@H]2CCNC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDMAJJEUDLCTJ-UHFFFAOYSA-N", "SMILES:CC(C)NCc1ccc(-c2[nH]c3cccc4c3c2C=NNC4=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4217244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCLFZAPTLAZAEI-LICLKQGHSA-N", "SMILES:O=C(N/N=C/c1ccc(O)cc1)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHEHPJRRWPVVQK-GIJQJNRQSA-N", "SMILES:O=C(N/N=C/c1ccc(O)cc1)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQCOFRBMRVOEC-KKMKTNMSSA-N", "SMILES:COc1cccc2c1c(C(=O)N/N=C/c1ccc(O)cc1)cn2Cc1cc(-c2ccc(Cl)s2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDJEMOWCRANMB-QNGOZBTKSA-N", "SMILES:COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\\NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFRUPLWNYHKHOP-RGEXLXHISA-N", "SMILES:CCCCCCN/C=C1\\N=C(c2cc3ccccc3[nH]2)C=C1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQZYVNCSRLMXPK-UHFFFAOYSA-N", "SMILES:O=C(CN1CCCCC1)Nc1cccc(-c2cc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYGBELCNLNXJGX-MYYYXRDXSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4c[nH]c5ccccc45)N=C3c3ccc(Cl)cc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILGAKBZCCVDIA-GZTJUZNOSA-N", "SMILES:C=c1[nH]c2ccc(Br)cc2/c1=C/c1cc2c([nH]1)CN(CCN(CC)CC)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFAIYAXLCGLIPA-XYGWBWBKSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4c[nH]c5ccccc45)N=C3c3ccccc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISTKRONIWILSQA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2ccc3ncc(S(=O)(=O)n4ccc5ccccc54)n3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFFKKNOJRILOZ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)c(F)c2)nnn1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMRJTRVZAXYSA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccnc(-c3ccnc4[nH]ccc34)n2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFLSSWYPDZJQP-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-n5ccnc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFUYKTYUJHLOPQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(c3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIUAPIHVCHXNL-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLAQHOKESBNHEQ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(N3CCN(Cc4ccc5c(cnn5C)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBBGDICATMCIDB-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(N3CCN(Cc4cccc(-c5cccnc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIUUGMIWTTTWDH-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(N3CCN(Cc4cccc(-c5ccncc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNMKSVQHZGNIB-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(N3CCN(Cc4cccc(-n5ccnc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYFZCNIIYSARQ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(N3CCN(Cc4cccc(-n5cncn5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSKBOWVLCQGNCU-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(c3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)cc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSSBJWZIIJMIQY-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQKHDKYOBLAKSG-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(N3CCN(Cc4ccc5c(cnn5C)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSBZSKADPXRCSH-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(N3CCN(Cc4cccc(-c5cccnc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVLVHIIENURIG-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(N3CCN(Cc4cccc(-c5ccncc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTZLTWKWZOWIT-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(N3CCN(Cc4cccc(-n5ccnc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXMWQNCYIYYFRA-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(N3CCN(Cc4cccc(-n5cncn5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFDFRNBGCRZVMV-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOAPFLDMMJNCEM-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(C3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQZWUWWIYZYMFP-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(C3CCN(Cc4ccc5c(cnn5C)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSEOIYXMUSGKEE-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-c5cccnc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYGVSDJVAMBLFR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-c5ccncc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRFIEVIDNHSML-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-n5ccnc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMWJCYVWBUKCSG-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cnc3ccccc3c2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-n5cncn5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KURXOCCGNUNSIK-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(c3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)cc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPUMHCNKQTWEI-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(C3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUGIUSXOHOASKR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(C3CCN(Cc4ccc5c(cnn5C)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVIKVYLLQSTRCH-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-c5cccnc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJFRTPRPVPIDEL-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-c5ccncc5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMDMMQFMIOLTM-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-n5cncn5)c4)CC3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLHVPYAKRKOKX-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCN(c3ccc(NC(=O)c4ccccc4NC(=O)c4cc(=O)c5ccccc5o4)cc3)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZALYGEQDWFCR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3cccc(-c4cccnc4)c3)CC2)cc1)c1cc(=O)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIDSXBGJBAULP-UHFFFAOYSA-N", "SMILES:COc1cc(NS(=O)(=O)c2ccc3c(c2)c2ccc(N)cc2n3C)c(OC)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHJUKZSHUQUOT-RGVLZGJSSA-N", "SMILES:Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBAVLNDKREMOX-RGVLZGJSSA-N", "SMILES:Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULRBAUVMGRJVES-CYBMUJFWSA-N", "SMILES:CCCCNC(=O)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMNMEXKPODRQY-MRXNPFEDSA-N", "SMILES:O=C(CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLVWGRQAXNOKKU-LLVKDONJSA-N", "SMILES:CNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPNCESYOAUSRJV-CQSZACIVSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)NCC(C)C)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJZSRDUHGUXYJX-QGZVFWFLSA-N", "SMILES:Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)NCc2ccccc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDHXKLOUZYPJQ-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCCC(C(=O)NCC(O)(Cn3cncn3)c3ccc(Cl)cc3)C2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDAWNHREWHKRL-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCC(NCC(O)(Cn3cncn3)c3ccc(Cl)cc3)CC2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDWVKTJZSXXGBR-UHFFFAOYSA-N", "SMILES:Cc1c(CN2CCC(NCC(O)(Cn3ccnc3)c3ccc(Cl)cc3Cl)CC2)cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2392656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNHNBLSNVSJTJ-UHFFFAOYSA-N", "SMILES:CC(c1ccc(O)cc1)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5561589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALFPTVYCOSMDFS-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)c(C)c(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL104044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYSGPNCFTPUHGN-IAGOWNOFSA-N", "SMILES:CC(C)c1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQMLTGNETHMAHV-CALCHBBNSA-N", "SMILES:COc1cc2c(O[C@H]3CC[C@@H](N)CC3)ncnc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IECVLMVZGCYCSZ-FMIVXFBMSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPHPXSWPALMBKV-LBPRGKRZSA-N", "SMILES:N[C@H]1CCN(c2ccnc3ccc(-c4ccc(C(F)(F)F)nc4)nc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAJSIWPSPROYAQ-GFCCVEGCSA-N", "SMILES:FC(F)(F)c1ccc(-c2ccc3nccc(N[C@@H]4CCNC4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTBIJHLCFOXCAB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2ccc3nccc(NC4CCNCC4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2041980", "category": ["biolink:ChemicalEntity"], "name": "MMV-048", "xref": ["InChIKey:RTJQABCNNLMCJF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)c2)cc1"], "synonym": ["Mmv-048", "Mmv-390048", "Mmv390048", "J3.367.891F", "MMV-048", "MMV-390048", "MMV048"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4129258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHBOZVTSNPRRO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(-c2ccc3nccc(-c4ccnc(C(F)(F)F)c4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITAFCVJKUOGFCM-UHFFFAOYSA-N", "SMILES:CC1(C)CC(Nc2ccnc3ccc(-c4ccc(C(F)(F)F)nc4)nc23)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEMTKSOPFKCTR-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2ccc3nccc(NC4CCNC5(CC5)C4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPDOJWZSQFOAH-CJNGLKHVSA-N", "SMILES:O[C@H]1CNCC[C@H]1Nc1ccnc2ccc(-c3ccc(C(F)(F)F)nc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIYLTRIUQAADGD-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc2c(cnn2CCCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKDBBXGRXIYXMB-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1cc2nn(CCCCCNCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPHKCZOCTJCWAD-VAPNJYICSA-N", "SMILES:CN(CCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIVKMVMSQFNJAG-KBOGUJPVSA-N", "SMILES:CN(CCCN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXXHHAICAYYMLP-SCXZZJSSSA-N", "SMILES:CN(CCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INCVUGCZQZUSSU-XFISEFNXSA-N", "SMILES:CN(CCCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFOAVDINFHZIR-MOQYISRKSA-N", "SMILES:CN(CCCO[C@H]1C[C@@H](Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFOAVDINFHZIR-IQDGXFAKSA-N", "SMILES:CN(CCCO[C@H]1C[C@H](Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPXGVLREMMWXOO-LXKXFIAUSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](CN(C)CCCO[C@H]4C[C@H](Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPHIYOXVUOYUTO-KWWSLGSDSA-N", "SMILES:CN(CCCO[C@H]1C[C@H](Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBFNLOLLNOCFFN-VOSGNALJSA-N", "SMILES:CN(CCCO[C@H]1C[C@H](Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(F)F)cc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLKZEZBWHOQDRM-FDNLEIHHSA-N", "SMILES:CC(C)(O)c1cc2nn([C@H]3CC[C@H](CN4CCC(O[C@H]5C[C@H](Nc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYXVIJFTJCBPJ-QHKPVXDTSA-N", "SMILES:CN(C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1)[C@H]1CCC2(CC1)C[C@H](Nc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRYXVIJFTJCBPJ-FRFNUQFRSA-N", "SMILES:CN(C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1)[C@H]1CCC2(CC1)C[C@H](Nc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTLPZXACUDKBE-WKZQYAEKSA-N", "SMILES:CC(C)(O)c1cc2nn([C@H]3CC[C@H](CN4CCC5(CC4)CC(Nc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWOVTMLUFGDAGD-OBYWWQMUSA-N", "SMILES:CC(C)(O)c1cc2nn([C@H]3CC[C@H](CN4CCC5(CC4)CC(CNc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSPEECLQHSSQW-YDKYQZJISA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](CN4CCC5(CC4)CC(CNc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSZVFSMDHQLFKQ-ZBTZYFEDSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCC4CC5(CCN(C[C@H]6CC[C@H](n7cc8cc(NC(=O)c9cccc(C(F)(F)F)n9)c(C(F)F)cc8n7)CC6)CC5)C4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUPGKUFXBNOPG-SCXZZJSSSA-N", "SMILES:COc1cc2nn([C@H]3CC[C@H](CN4CC5(CC(CCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDRJGMSUTPVXDH-CWAYLNQUSA-N", "SMILES:CC(C)(O)c1cc2nc([C@H]3CC[C@H](CN4CC5(CC(CCNc6cccc7c6C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)C5)C4)CC3)sc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDRJGMSUTPVXDH-JWCTYCETSA-N", "SMILES:CC(C)(O)c1cc2nc([C@H]3CC[C@H](CN4CC5(CC(CCNc6cccc7c6C(=O)N([C@@H]6CCC(=O)NC6=O)C7=O)C5)C4)CC3)sc2cc1NC(=O)c1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL144129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGXADJDTPFFSZ-UHFFFAOYSA-N", "SMILES:c1ccc(CC2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEQKMBWAJJCNO-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCC1CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRJZVFBXOJFVLU-UHFFFAOYSA-N", "SMILES:NCC(O)CNS(=O)(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDMMCFWFSJXQMU-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(C)N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBLBEGFFNCSVDD-CQSZACIVSA-N", "SMILES:N[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYDDKACDVJNLC-CQSZACIVSA-N", "SMILES:N[C@H](CNS(=O)(=O)c1cccc(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOUFZSSRLIPGZ-CQSZACIVSA-N", "SMILES:N[C@H](CNS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCHZOWWNSAAOH-OAHLLOKOSA-N", "SMILES:CN(C[C@@H](N)c1ccccc1)S(=O)(=O)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRYGMMNZPCPJF-OAHLLOKOSA-N", "SMILES:CN(C[C@@H](N)c1cccc(Br)c1)S(=O)(=O)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDJNRBBYZQLNE-QGZVFWFLSA-N", "SMILES:CN(C)c1cccc([C@H](N)CN(C)S(=O)(=O)c2cc(F)cc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRXOCMEITWNEO-HXUWFJFHSA-N", "SMILES:CCCOc1cc(F)cc(S(=O)(=O)N(C)C[C@@H](N)c2cccc(N(C)C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNCHZOWWNSAAOH-HNNXBMFYSA-N", "SMILES:CN(C[C@H](N)c1ccccc1)S(=O)(=O)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUEUHQDTXBNXGN-HNNXBMFYSA-N", "SMILES:CN(C[C@H](N)c1cccc(Cl)c1)S(=O)(=O)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDJNRBBYZQLNE-KRWDZBQOSA-N", "SMILES:CN(C)c1cccc([C@@H](N)CN(C)S(=O)(=O)c2cc(F)cc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPPLWZGIZUBWKQ-KRWDZBQOSA-N", "SMILES:CN(CC(F)F)c1cccc([C@@H](N)CN(C)S(=O)(=O)c2cc(F)cc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWQUDPTHTZTJA-SFHVURJKSA-N", "SMILES:C=C(C)c1cccc([C@@H](N)CN(C)S(=O)(=O)c2cc(F)cc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL291020", "category": ["biolink:ChemicalEntity"], "name": "CONDURITOL B EPOXIDE", "xref": ["InChIKey:ZHMWOVGZCINIHW-FTYOSCRSSA-N", "SMILES:O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5556908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTDTUYAXCTQQQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAODJNUEZFCCIM-UHFFFAOYSA-N", "SMILES:O=C(CSCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYJLIXXRIFPQTH-UHFFFAOYSA-N", "SMILES:O=c1cnc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQQPTZCZKUQICW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3ccc(F)cc3N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBRNSYEATYGJM-UHFFFAOYSA-N", "SMILES:CCNNC(=O)c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBNQDACHNKIYHV-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJNPGMSRQFTBO-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQELVNCCFIFFLD-UHFFFAOYSA-N", "SMILES:CCCCCNNC(=O)c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUEIFHACXBHLBJ-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBMUUQXIFSVFNJ-UHFFFAOYSA-N", "SMILES:CCCCCCCNNC(=O)c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTDAKPEBJTLJD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)NNCC3CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHRJIKCILCMAHO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)NNCC3CCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AABLXNQNALWNDW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)NNCC3CCCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTFUUTUZOIUCPX-UHFFFAOYSA-N", "SMILES:CC(C)CCNNC(=O)c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAISOELXZHHCPI-UHFFFAOYSA-N", "SMILES:CC(C)CNNC(=O)c1ccc(N2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1160734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAZJSJFMUHDSTF-AWEZNQCLSA-N", "SMILES:C=CCc1ccccc1OC[C@@H](O)CNC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5562430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWXWVSMQQCWGQO-HNNXBMFYSA-N", "SMILES:C#CCCNC[C@H](O)COc1ccccc1CC=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFMPLFSKHJHREU-INIZCTEOSA-N", "SMILES:C#CCCCNC[C@H](O)COc1ccccc1CC=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCXRBEQINCIDLM-AWEZNQCLSA-N", "SMILES:CC(C)NC[C@H](O)COc1ccc(CCCN=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFBVAWBEJRFWHG-HNNXBMFYSA-N", "SMILES:CC(C)NC[C@H](O)COc1ccc(CCCCN=[N+]=[N-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPRMKSXBLKNJPG-CONSDPRKSA-N", "SMILES:C=CCc1ccccc1OC[C@@H](O)CNCCCc1cn(CCCCc2ccc(OC[C@@H](O)CNC(C)C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVWAJFBUPIRHDC-VMPREFPWSA-N", "SMILES:C=CCc1ccccc1OC[C@@H](O)CNCCc1cn(CCCc2ccc(OC[C@@H](O)CNC(C)C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AETPCVIZXUUVIQ-KYJUHHDHSA-N", "SMILES:C=CCc1ccccc1OC[C@@H](O)CNCCc1cn(CCCCc2ccc(OC[C@@H](O)CNC(C)C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIGEIFJPCDYCC-KYJUHHDHSA-N", "SMILES:C=CCc1ccccc1OC[C@@H](O)CNCCCc1cn(CCCc2ccc(OC[C@@H](O)CNC(C)C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTACOYRSTJHHES-SANMLTNESA-N", "SMILES:C=CCc1ccccc1OC[C@@H](O)CNCCCc1cn(CCCCc2ccc(OC)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQFHLQVMYGAKOM-SANMLTNESA-N", "SMILES:C=CCc1ccccc1OC[C@@H](O)CNCCCc1cn(CCCCc2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORNJYMBXQTKAS-FQEVSTJZSA-N", "SMILES:C=CCc1ccccc1OC[C@@H](O)CNCCCc1cn(CCCC)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMWHGPYHVSOOCN-FQEVSTJZSA-N", "SMILES:CCCc1cn(CCCCc2ccc(OC[C@@H](O)CNC(C)C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYZRANEFPEAJE-UZVDJONISA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(Cc2ccccc2)C1=O)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVSCEEFNRNVFFC-BVDVTYOLSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(Cc2ccccc2)C1=O)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIRZRWSQPNYQNC-HQHXSWNVSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(Cc2cccc(C(F)(F)F)c2)C1=O)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLLAYREGVFBEJ-RMIUNXKHSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(Cc2cccc(C(F)(F)F)c2)C1=O)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUBNLAIJOZWSC-UZVDJONISA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(CC2CCCCC2)C1=O)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWNLCLWYXHXBT-BVDVTYOLSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(CC2CCCCC2)C1=O)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZHMAROMAJEEDG-VGMFXRGYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(C[C@H]2C[C@H]3CC[C@@H]2C3)C1=O)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUOOPCGDTPSIEK-WGDHNJGHSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(C[C@H]2C[C@H]3CC[C@@H]2C3)C1=O)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGZOWHSZDGSPOZ-VGMFXRGYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)C1=O)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIABUIGCUQHPJ-WGDHNJGHSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)C1=O)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKWOMXFWNDNIR-OLOOMHLZSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(Cc2ccco2)C1=O)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPFGWSILNWTAEQ-VKAKSYSVSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CCN(Cc2ccco2)C1=O)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGJBUHXUXXXNX-JTGDWONASA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(Cc2ccccc2)C1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNVZXEAQYBHRQI-FALFDAOVSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(Cc2ccccc2)C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVNOTCVAYHYOM-IXWRAZNESA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBGUTZRCBYKAQZ-IVPWWZMKSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSWJDSJKKUBMQ-JTGDWONASA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(CC2CCCCC2)C1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKNNQQOXWNFBQK-FALFDAOVSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(CC2CCCCC2)C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILMGDHNUAKBHW-OCQMGLTQSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(CC2CC3CCC2C3)C1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRUWENWNKKILM-OALQSSEWSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(CC2CC3CCC2C3)C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFEJHJONVMMWHN-OCQMGLTQSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(CC2CC3C=CC2C3)C1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRBSOEZROIUCCP-OALQSSEWSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(CC2CC3C=CC2C3)C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHZBCLRVFPNENT-XXPVTVGNSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(Cc2ccco2)C1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEYOLNPFYCCIR-MKLINRJFSA-M", "SMILES:CC(C)C[C@H](NC(=O)OCC1CC(=O)N(Cc2ccco2)C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXSJWKBAGWTAGD-CMOCDZPBSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUYAYIHYFAARE-MMTZMCTCSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCEIITLUVHPUBP-QESAQDPVSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1cccc(F)c1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERIPRZEHVWUHP-WXEDCJPGSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1cccc(F)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNQEKJDMJPWOT-QESAQDPVSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1cccc(Cl)c1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQVWMFFJUXIPC-WXEDCJPGSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1cccc(Cl)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AICFZQPLVSSSFU-QESAQDPVSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIHVLUQKAQJEBT-WXEDCJPGSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFTACXMSOLUDDR-MLCQCVOFSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHUUWUXBJPINR-BHPDIFKMSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQHNOSUNTGCFNQ-CMOCDZPBSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRNMXOGBIHZFJ-MMTZMCTCSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQHNOSUNTGCFNQ-KJJMTIBFSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@H]1CCC(=O)N1CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRNMXOGBIHZFJ-SGQYCBJISA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@H]1CCC(=O)N1CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTOHULAORGPNQX-MLCQCVOFSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CCC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGMAHGRLFXZXRH-BHPDIFKMSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CCC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQLIKMSUKKSEA-TUFLPTIASA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CC1CCC(F)(F)CC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SASFNFCYQNYKFT-GMDKXNOSSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYIYERPQBFVRLU-AULMYGDYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1C[C@H]1C[C@@H]2CC[C@H]1C2)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADISOEDLXWUZKD-AZPCTYKRSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1C[C@H]1C[C@@H]2CC[C@H]1C2)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBBUNQDUSRZEQ-AULMYGDYSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1C[C@H]1C[C@@H]2C=C[C@H]1C2)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLCIWNEKNVWCE-AZPCTYKRSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1C[C@H]1C[C@@H]2C=C[C@H]1C2)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQVYGJYJHLBMAT-MUGJNUQGSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OC(F)(F)O2)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUSWOQFOODPFHZ-XXGJMCRQSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OC(F)(F)O2)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMGLKHIACFLVAZ-JPLJXNOCSA-N", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1ccco1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQIQRGKBBJHLMN-JLEZPDKXSA-M", "SMILES:CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc1ccco1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBKGDGWEQRMRGD-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)c[n+](CCO)c1ccc(F)cc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVKNFYFPPKOEI-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)c[n+](CCO)c1ccc(Br)cc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYUHUBEBDZJIA-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)c[n+](CCO)c1ccc(OC)cc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUCLOQRVAKUWAO-UHFFFAOYSA-M", "SMILES:COc1ccc(-c2cc3c(cc2OC)c[n+](CCO)c2ccc(F)cc32)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXMGKNVONZFJGA-UHFFFAOYSA-M", "SMILES:CCOc1ccc2c(c1)c[n+](CCO)c1ccc(F)cc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHLQWKBKPJBEBB-UHFFFAOYSA-M", "SMILES:CCCCOc1ccc2c(c1)c[n+](CCO)c1ccc(F)cc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOZNSLBGMPXCNI-UHFFFAOYSA-M", "SMILES:CC(C)Oc1ccc2c(c1)c[n+](CCO)c1ccc(F)cc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLXPEUDNQFDOQP-UHFFFAOYSA-M", "SMILES:OCC[n+]1cc2cc(OC(F)(F)F)ccc2c2cc(F)ccc21.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGNSEVBTNWEEPY-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c1)c1ccc(OC(F)(F)F)cc1c[n+]2CCO.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZPFHVJQWHMNX-WRRUDTOOSA-N", "SMILES:CCCCC[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHEHHJAWXJALTB-KUMBDKQLSA-N", "SMILES:CCCCC[C@@H]1OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CCCCC)OC(=O)[C@@H](C)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEWKISHGWMINGR-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2sc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFCHFUUUBUFCY-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2sc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVMXNOHDJXSQIT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRLQIOXJAHDTN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRWILKGQGWGLS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZTYGCKABLJWQK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2cccc(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDASQEINJGAJOU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHTHJANYOSRXPV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQYIGJMMBUQAY-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccccc2C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTZTSXSXRHRFG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCNMHAXLDGHVFX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCZHLPMNPACXTC-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCWXLGQYJKLEPX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(S(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHIWACFCPVRVQQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1sc(C(=O)O)cc1NC(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXZBXNVZLABQU-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVHFZYFVRZFQGR-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZUUHHRQBUESM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZUINSORWMSYQI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2cccc(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNQZPOUELLSDHE-UHFFFAOYSA-N", "SMILES:CCc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBPNMOSZYCJDMR-UHFFFAOYSA-N", "SMILES:CCCc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUEBXZBZRHSZIX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRZKVPSZLWHZBS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWUOZYNGVHPHP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVDAYSAIWSYMX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEIYLNVWZAJCK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(F)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIIONXOSPODBR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNSHTSZKMROSL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWVOLBAOFBADO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(F)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVLFOGZABQHTEJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEUVYIFQPQQREV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTHXLWIIAQEFG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccsn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCFRMAEDGUHSI-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZANORLOXONNCN-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LISKSHLOHGIUGT-UHFFFAOYSA-N", "SMILES:CCCc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMJWCYIAFUBCOF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccc(C(C)C)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORBWCXDBZZGAT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCJJPGZZAZHUOV-UHFFFAOYSA-N", "SMILES:C#Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKCCSDXUAFFXNO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccc(N(C)C)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWWGWZWCAUFYBU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccc(F)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMKYRYULBWBBB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C)nc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDEXJHBBYBFIFD-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2cnc(C)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQHGURTWBSPUDS-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2cnc(C)nc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQHGFIYCVPYELF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2cnn(C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYLHKUHNXMUBK-UHFFFAOYSA-N", "SMILES:O=C(CCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NCCCC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GACRMXXMOQCQSI-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(C(F)(F)F)c(Cl)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4464558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEGFAXMPAOHOCK-RAVJQKOMSA-N", "SMILES:C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)CC/C=C(\\C)CC[C@H]2OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4531702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCEKDLJRXSZZRB-RWQKAGTCSA-N", "SMILES:C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)CC/C=C(\\C)CCC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5564542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAVUNNKLQPJRAL-RDEHPDPZSA-N", "SMILES:C=C1[C@@H](OC(C)=O)[C@H]2[C@@H](OC(=O)[C@@H](C)CC)[C@@H](C)C[C@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHOKXSSECUEFS-QJKDDVOPSA-N", "SMILES:C=C1[C@@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(=O)Cc3ccccc3)C[C@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)[C@H](OC(=O)c2cccnc2)C[C@H]1OC(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWQNRYJHFZCREL-HNJZPYTASA-N", "SMILES:C=C1[C@@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)C(=O)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTCZPYBNIKSAIT-FHCSSENMSA-N", "SMILES:C=C1[C@@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)C(=O)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCLIYBQHIIRRFX-UUUUTGLASA-N", "SMILES:C=C1[C@@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@H](C)C[C@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)C(=O)C[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXZMURMNDWWXES-ZTLCGZHCSA-N", "SMILES:C=C1[C@@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@H](C)C[C@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)C(=O)C[C@H]1OC(=O)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5561015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTJFUGKCVVWIBD-GLQUQENMSA-N", "SMILES:C=C1[C@@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)C(=O)[C@@H](OC(C)=O)[C@H]1OC(=O)C(C)C"], "chembl_natural_product": true}
{"name": "Hepatocyte nuclear factor 1-alpha", "xref": ["CHEMBL.TARGET:CHEMBL6066477"], "id": "UniProtKB:P20823", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZSHMDYVZBBIAM-UHFFFAOYSA-N", "SMILES:Ic1ccc(Nc2nc3ccccc3c3[nH]c(-c4ccccc4)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OREMRVKLJLITJN-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(NC3CCCC3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQTZMKDLVJQOEB-UHFFFAOYSA-N", "SMILES:CCCCC(CCCC)c1nc2c(Nc3ccc(I)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUMEFLIDJLGTG-UHFFFAOYSA-N", "SMILES:CCCC(CC)c1nc2c(Nc3ccc(I)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEJDRQIAACHPPK-DTQAZKPQSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(/C=C/C(=O)NCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHNKEXLAMUNCKG-ZBJSNUHESA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(/C=C/C(=O)NCCCCCCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKPQRXHRXPMFJD-DYTRJAOYSA-N", "SMILES:CCCCCCNC(=O)/C=C/c1ccc(Nc2nc3ccccc3c3[nH]c(C(CCC)CCC)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHZTXGOCJWOSGQ-GZTJUZNOSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(/C=C/CCCCCCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKQAXSQTMANCAP-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(CCCCCCCCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFCLXIVBERZMJT-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIBHGDUBISEOO-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYXXYPHYSQUZLP-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNTUPWYUEKJXBK-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQXGJASXNDUDA-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLJBMCWEICNEO-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZHLQZZFNTCTN-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFZSIMYZENEGOC-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJXNSLWFGPYLAU-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDVVEUSKPPGDPC-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c([nH]1)c(Nc1ccc(C#CCCCCCCCCCCN)cc1)nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXGQGAORSWRBFP-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCNC)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQQRUWOWUGNUSR-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCNC(=O)OC(C)(C)C)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEOBVNGPPSBQOM-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCNC(=O)OC(C)(C)C)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTJUJIRBPZXIR-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCNC(=O)OC(C)(C)C)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBRHGKNYGVUET-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCNC(=O)OC(C)(C)C)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKVKNBAMQQNHO-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCCNC(=O)OC(C)(C)C)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSCBZOEAYIHQX-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCN(C)C(=O)OC(C)(C)C)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWZFMWZITFCBAZ-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCN(C)C)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFTJXNRZZRUMOH-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCN=C(N)N)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDMLGGWPFXTSNK-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYKWVISFGDTRJ-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCC(=O)O)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGTBWMMTJZRZBV-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCBr)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXQFTPSVUXYSCW-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCNCCCCN)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXWOLDRSCXFQLP-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCCO)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJHNVXHWGLIYBQ-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCCN=[N+]=[N-])cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDGGITZDRSYCG-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCCN4CCCC4)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOLXSWYPZNYPOK-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCCN4CCCCC4)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5527994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODILYNJSRLDXHM-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCCN4CCNCC4)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTAFYATXKXYDKO-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3cccc(I)c3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOUKCAMSHVHKN-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(I)c(Cl)c3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJFFLRNODDGFEP-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3cccc(C#CCCCCCCCCN)c3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPZADYRXGIIKQ-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3cccc(C#CCCCCCCCCNC(=O)OC(C)(C)C)c3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPHSZNLRKICWFL-UHFFFAOYSA-N", "SMILES:Cn1c(C2CCCCC2)nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOYJJCUKKXZOJW-UHFFFAOYSA-N", "SMILES:OCCn1c(C2CCCCC2)nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFIQUWUOCPCAL-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(I)cc3)nc3ccccc3c2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJRYSHKBWWEXLB-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Oc3ccccc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BARABCJCNNAQAA-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Oc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHFLPHOXYLLQRZ-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Sc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJFYZJUDEVMJTF-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3oc(C4CCCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYPUNZSIOCXBW-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3sc(C4CCCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGMGJSJIZIQEJY-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3nc(C4CCCCC4)oc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZTBWOAWUOGGQF-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc3ccccc3c3nc(C4CCCCC4)sc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKTWDGVDPDDKNY-UHFFFAOYSA-N", "SMILES:CN(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2c2[nH]c(C3CCCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPBFEAMZCCJNSG-UHFFFAOYSA-N", "SMILES:Clc1ccc(Oc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJTDKCQCTGTMOE-UHFFFAOYSA-N", "SMILES:Clc1ccc(Sc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIMGOQRXJUTDD-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(I)cc3)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHVOZHGYJFJQCI-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCN)cc3)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXEWVAUHCCSBHR-UHFFFAOYSA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(C#CCCCCCCCCNC(=O)OC(C)(C)C)cc3)nc3ccccc3c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRAWJMGEFWTBKL-SAPNQHFASA-N", "SMILES:CCCC(CCC)c1nc2c(Nc3ccc(/C=C/C(=O)OC)cc3)nc3ccccc3c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103758", "category": ["biolink:ChemicalEntity"], "name": "PRAMLINTIDE", "xref": ["InChIKey:TZIRZGBAFTZREM-MKAGXXMWSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"], "synonym": ["Pramlintide", "Pramlintide", "Pramlintide", "Pramlintida", "Pramlintide", "Pramlintide", "Tripro-amylin", "AC-0137", "AC-137", "AC0137", "AC137", "Pramlintide"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5563010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWAZJITFUFTAR-QVAPSGOISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5531967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMPJJMCPZBIVFP-QVAPSGOISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZYGIOWULGKMQ-GDAVRZBZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKXXLTRYYFOADS-GDAVRZBZSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVCUCQKAWYQMQ-HQBANKMBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIOJJWFYYSCRGM-HGXDQEOYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZQPECLSYJSZBG-HQBANKMBSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFQOHYGJBXNKKX-OXNKRTJPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWKPODSFIQAREM-YKIHEFEISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFIWYBELPJJNL-OXNKRTJPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJFIQWBYVBTISQ-TXAVNGFNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXVUFUQHFFIAAD-CDFPPUFDSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQQJHFRUFGYCPL-TXAVNGFNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COVOAONOMYHKDP-TXAVNGFNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBAHHYFFUPDBKG-HATDQKRTSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMLADKNFJYWPPD-JNNGBPQHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHHFGMQWVKXUNK-DPJHMGRTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQJBMSAHWPWEI-PPXSFBEHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5554990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUNMPZKBFKWZSA-MUTRJDDOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKFKEVRSEYIPRD-TXAVNGFNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZHNINWBCQRGY-QJMUSDNHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802169", "category": ["biolink:ChemicalEntity"], "name": "CAGRILINTIDE", "synonym": ["Cagrilintide", "Cagrilintide", "NNC0174-0833", "Cagrilintide component of cagrisema", "Cagrilintide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPGLQGQJPVKIT-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc(OCC5CCN(CC(=O)NCC6CC7C=CC6C7)CC5)cn4)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKSXIJEFSDWOP-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc(OCC5CCN(C(=O)CC67CC8CC(CC(C8)C6)C7)CC5)cn4)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWAQMKEQIQODJ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc(OCC5CCN(CCCCCC(=O)NCC67CC8CC(CC(C8)C6)C7)CC5)cn4)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRUXYENKQAKFCJ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc(OCC5CCN(CCCC(=O)NCC67CC8CC(CC(C8)C6)C7)CC5)cn4)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGJOFQZEYQGZMB-QFMZCFQBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFSQDXJPOVMYCF-MBTCXIHLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXRNFRJGCJUKJ-GASCZTMLSA-N", "SMILES:COc1ccccc1CCN1[C@@H]2CCC[C@H]1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMRBJBMKLVVRD-OLZOCXBDSA-N", "SMILES:CN1[C@H]2CC[C@@H]1C=C(c1c[nH]c3ccccc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLSBPLLHBKMGCR-NWANDNLSSA-N", "SMILES:COc1cccc([C@H]2C[C@@H]3CCC[C@H]2N3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIJYFGPGTNGAIN-BFHYXJOUSA-N", "SMILES:CN1[C@H]2CCC[C@@H]1[C@@H](c1cccc(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJPZYGYGHYHHY-MTQWCTHYSA-N", "SMILES:CN1[C@H]2C[C@@H](OC(=O)c3ccccc3)C[C@@H]1[C@@H](c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJPZYGYGHYHHY-VNTMZGSJSA-N", "SMILES:CN1[C@H]2C[C@H](OC(=O)c3ccccc3)C[C@@H]1[C@@H](c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAPNVRQFMEDTQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(C)c3)C(C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAPNVRQFMEDTQ-VAEGFVRCSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAPNVRQFMEDTQ-PELDHITCSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUZFZINBVQYZMV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPYFMMXLCNPQI-RZQQEOIVSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYBJLIFWAPSPHA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPVCBQTIGZJPC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWDLQZZDELRCMN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNSDCNLZGFLQI-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MARZMZSGVUSJEW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOSTUQTXZFRIMG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOGZOVIZUPOMG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFOFIBSHUCBCV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKNNOZRVILZDK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANFODFNMZPUKO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGFVZZRMMJSQJY-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFVDKSEUMAXMF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABJNLZFYSCTPD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(-c4ccccc4)c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMECXEARQLOEQO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLMPBCLMHYLAG-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLAKOZLLNGHVBB-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJCBPMZATABWBO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNRCWZHNWHCNEC-CSRAAECXSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(F)c3)[C@@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBFCDUHXHPLKU-FJNJALAMSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBFCDUHXHPLKU-CSRAAECXSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURGOHUCQQEPPY-FJNJALAMSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Br)c3)[C@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LURGOHUCQQEPPY-CSRAAECXSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Br)c3)[C@@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXDJSCKEZVECTM-DRVJNONPSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)[C@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXDJSCKEZVECTM-QJFJEURWSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)[C@@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXBJPDGMSNPCV-BUBDEBHSSA-N", "SMILES:COC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGAWRKABBCUFG-LXAPUOBYSA-N", "SMILES:CC(C)OC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONUWEQQCSQPZPL-NWAYQTQBSA-N", "SMILES:C[C@@H]1CN(C(=O)c2ccc([S+]([O-])CC(=O)OCC(F)(F)F)c([N+](=O)[O-])c2)CCN1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIKFZMAIJESBC-LXAPUOBYSA-N", "SMILES:CCCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVRXLQFJWMNBS-HAMJCCENSA-N", "SMILES:CCCCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGLFYOYWFPMBOP-COTUPUOWSA-N", "SMILES:CCC(C)OC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTUYXHWQHHJJDB-LPRSIBDSSA-N", "SMILES:CCC(C)(C)OC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@H](C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULEIXDWCYXFBPG-JKEGAWOSSA-N", "SMILES:C[C@@H]1CN(C(=O)c2ccc([S+]([O-])CC(=O)OCCCO)c([N+](=O)[O-])c2)CCN1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGOWXGYJVRMOMM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CC(C)N(c3cccc(Cl)c3)C(C)C2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYLNKDYJRYRPPS-ABLSDCBGSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@H](C)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGSOBXFXOOWHNV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDMLWFNVQUWIQ-YXOIUOLKSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@H]2C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDMLWFNVQUWIQ-PDFXCBCESA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@H](C)[C@H]2C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIJFNCWTCJHPTC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)C(C)(C)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXRSTSVAKQOQMY-UHFFFAOYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYVICOITJIEMSL-KSKSGFSYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDPNGAYPSUTIE-KSKSGFSYSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVJQFQUMJKNEHT-IZGNHLFCSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc([S+]([O-])CC(=O)O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUYRXIBXYWSOJZ-HOTGVXAUSA-N", "SMILES:CCOC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYSJXELMIXOGJP-LAONEOEXSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(CN2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARJNFGSRTNGOBV-HOTGVXAUSA-N", "SMILES:CCOC(=O)CC(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEAVEWNOYCGXRF-TUBSDBEDSA-N", "SMILES:CC(C)OC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUCJJJXZHQQGX-VJOBSUPBSA-N", "SMILES:CCC(C)OC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDOAHAHNOIWMLN-GBZTTYCOSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc([S+]([O-])CC(=O)OC2CCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNFOSRBRPUTOW-AOTNDWACSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc([S+]([O-])CC(=O)OC2CCCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEAULJPBKWNEBB-QXUJDTEFSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc([S+]([O-])CC(=O)OC2CCCCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANOXTSYECSPQBZ-JRDUMZLZSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc([S+]([O-])CC(=O)OCC(O)CO)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHRBDXWYWJHUIA-PIGCSEJVSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cncc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXSOUPGYRANQMD-PIGCSEJVSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3ccnc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPKGFVCMLMHAIO-PIGCSEJVSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)n3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMNOGQWKPKWVNN-PIGCSEJVSA-N", "SMILES:CCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cc(Cl)ccn3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYGGBXCCNQWBFS-GBZTTYCOSA-N", "SMILES:COCCOC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFEZUHJIYXTXQS-ZVBQBPEYSA-N", "SMILES:CCOC(=O)C(C)[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTDSWTCGDJWXLO-SVNFGPFJSA-N", "SMILES:CCC(C)OC(=O)C(C)[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQTXUQYUMWEWFP-NBZBWBJPSA-N", "SMILES:COCC(C)OC(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDADXSAHQCZXET-WQIRDMQWSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc([S+]([O-])CC(=O)OCc2ccc3c(c2)OCO3)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZPWLYNKWACMFS-KBPBESRZSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc(SCC(=O)C(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYZKUKZFEKHJSK-QTKJWAQOSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc([S+]([O-])CC(=O)C(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXDYUQVPJCWYMY-KWRBWASUSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc([S+]([O-])CC(=O)C(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZRDWORIMYHHQ-DOIAIUNCSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc([S+]([O-])CC(=O)C(C)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHRZGBTLDYJGW-CFANGXOFSA-N", "SMILES:CCC(F)(F)C(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPTYJRFFZGIMJ-YUVGXOEWSA-N", "SMILES:C[C@H]1[C@H](C)N(c2cccc(Cl)c2)CCN1C(=O)c1ccc([S+]([O-])CC(=O)C(F)(F)c2ccccc2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDLPSSVDHLWAE-ZKGKNJHHSA-N", "SMILES:CCC(F)(F)C(=O)C[S+]([O-])c1ccc(C(=O)N2CCN(c3cc(Cl)ccn3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHRZGBTLDYJGW-GLVLYPABSA-N", "SMILES:CCC(F)(F)C(=O)C[S@@+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYHRZGBTLDYJGW-WGMHFUCESA-N", "SMILES:CCC(F)(F)C(=O)C[S@+]([O-])c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5000975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XROKDKBVZVPCNQ-UHFFFAOYSA-N", "SMILES:CC1=Nc2ccc(Cl)cc2-c2[nH]c3ccccc3c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGGKULXCFQNQPE-UHFFFAOYSA-N", "SMILES:Nc1cc2c3c(cccc3c1)C(=O)N(N)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1515494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFSGGNWQFIKOK-UHFFFAOYSA-N", "SMILES:CN1CCc2nc3sc(C(=O)Nc4cccc(C#N)c4)c(N)c3cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSJQWQEYOCXSX-UHFFFAOYSA-N", "SMILES:CC1CCc2sc3c(c2C1)c1ncnn1c1nnc(S)n31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRIMOOMSIWIDRG-GXDHUFHOSA-N", "SMILES:O=C1ON=C(c2ccccc2)/C1=C\\c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1337798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRTXKOFVNFCCDX-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(-c3nnc(S)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQARLUGBBKAQBG-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)Oc2c(oc(CO)cc2=O)C1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFBQCLCBDJAGR-UHFFFAOYSA-N", "SMILES:CCc1n[nH]c2c1C(c1ccc(O)c(OC)c1)C(C#N)=C(N)O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1082422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTFJSKIITFTJGW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5528000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHTWJJMNOOMOFG-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGGXWQIJJMSYOO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(Cc1ccc(O)cc1)NC1=CC(=O)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL338790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSMIFVHARFVINF-UHFFFAOYSA-N", "SMILES:Nc1ccc2c3c(cccc13)C(=O)NC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2059499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIUHBOJEMIHQZ-YAPWIAIGSA-A", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]7O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]8OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZYFQORRBWBQC-JDRSWYILSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@@H](C(=O)O)[C@@H](O[C@@H]6O[C@@H](C(=O)O)[C@@H](O[C@@H]7O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]7OS(=O)(=O)O)[C@H](O)[C@H]6OS(=O)(=O)O)[C@H](O)[C@H]5OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJSEPMHWNVDCV-RAZCQQGTSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@@H](C(=O)O)[C@@H](O[C@@H]6O[C@@H](C(=O)O)[C@@H](O[C@@H]7O[C@@H](C(=O)O)[C@@H](O[C@@H]8O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]8OS(=O)(=O)O)[C@H](O)[C@H]7OS(=O)(=O)O)[C@H](O)[C@H]6OS(=O)(=O)O)[C@H](O)[C@H]5OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBZMBNJBHHGDPN-RSBBXZDCSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@@H](COS(=O)(=O)O)[C@@H](O[C@@H]6O[C@@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]6OS(=O)(=O)O)[C@H](O)[C@H]5OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVURRUJYUIZCI-HSDHERCRSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@@H](COS(=O)(=O)O)[C@@H](O[C@@H]6O[C@@H](COS(=O)(=O)O)[C@@H](O[C@@H]7O[C@@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]7OS(=O)(=O)O)[C@H](O)[C@H]6OS(=O)(=O)O)[C@H](O)[C@H]5OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOGJYFYQUANKEO-HOTSSMDBSA-N", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@@H](COS(=O)(=O)O)[C@@H](O[C@@H]6O[C@@H](COS(=O)(=O)O)[C@@H](O[C@@H]7O[C@@H](COS(=O)(=O)O)[C@@H](O[C@@H]8O[C@@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]8OS(=O)(=O)O)[C@H](O)[C@H]7OS(=O)(=O)O)[C@H](O)[C@H]6OS(=O)(=O)O)[C@H](O)[C@H]5OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGJZVUSBBVSBSO-JGNYMYEZSA-A", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OCc5cn(CCCO[C@@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]7O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]9O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]9OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]8OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])nn5)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSZVMPBDUWTQOZ-FYVWLNEOSA-A", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]4O[C@H](COS(=O)(=O)[O-])C(S(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODNRXBNBXBRBAR-GIPONABOSA-A", "SMILES:CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]4O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@H](COS(=O)(=O)[O-])C(OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIUHBOJEMIHQZ-HWMIXANQSA-A", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]7O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]8OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOWTJOJDBJNKJ-PRMXAOCCSA-A", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]7O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]9O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]%10O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]%10OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]9OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]8OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOWTJOJDBJNKJ-NHPLCJEESA-A", "SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]7O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]9O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]%10O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]%10OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]9OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]8OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJDPVZTFITRPF-BWFXIHCISA-A", "SMILES:[N-]=[N+]=NCCCCCCCCCCC(=O)NCCCCCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]4O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCCHKJQKLMKTSV-LYEYGOFSSA-A", "SMILES:O=C(CCCCCCCCCCn1cc(CNc2ccc([N+](=O)[O-])c3nonc23)nn1)NCCCCCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]4O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWUBXEBPVDSCLZ-QTDSTWCZSA-A", "SMILES:[N-]=[N+]=NCCCCCCCCCCC(=O)NCCCCCCCCCCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]4O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVWNGAVIXXCNG-USADRKLMSA-A", "SMILES:O=C(CCCCCCCCCCn1cc(CNc2ccc([N+](=O)[O-])c3nonc23)nn1)NCCCCCCCCCCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]4O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUJEWYSRPTFRW-FHGIYNKSSA-A", "SMILES:C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2C1CC[C@H]1[C@H]2CC[C@H]2C[C@@H](O[C@@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]4O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])CC[C@@]21C)CN=[N+]=[N-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWGTWQRDVJBSD-MPLHDVSASA-A", "SMILES:C#CCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]7O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]8OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4561563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUZIEGHVPAZRFN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c([nH]c(=O)n3-c3cc(OC)c(OC)c(OC)c3)c(C(N)=O)n2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAGLVYSVXYGSOH-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cnc3ccc(-c4ccc(C)c(N)c4)nc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJXAGCRHNWQMJJ-BMHWHTMQSA-N", "SMILES:COc1cc(-n2cnc3ccc(-c4ccc(C)c(NC(=O)CCCCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)c4)nc32)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL336546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHMKQBWHPQMXSH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPSFVPKJLXCPE-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL132495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORNGVYSIPQDMN-UHFFFAOYSA-N", "SMILES:Cc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAESMOLVKWXOPC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJUCPOQDJIMIMO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)cc(F)c1)c1cnc(Cl)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL424086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLOWJSCEKDRUFL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1cnc(Cl)nc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIUSQAHHRJGLT-UPHRSURJSA-N", "SMILES:O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NC1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545187", "category": ["biolink:ChemicalEntity"], "name": "VERDINEXOR", "xref": ["InChIKey:OPAKEJZFFCECPN-XQRVVYSFSA-N", "SMILES:O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccccn1"], "synonym": ["Verdinexor", "Verdinexor", "KPT-335", "Verdinexor"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFBAVWVBLRIWHM-MLPAPPSSSA-N", "SMILES:NC(=O)/C(=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL130837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRSVTFJNRBAZHP-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL130007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBAVJJKWSNUONF-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USEQNTBZZREJDT-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3ccncc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPXWVIOOSFOXON-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3cccc(C(F)(F)F)c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMJIWSOYOQMSGT-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3cccc(C4CC4)c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLWZEZIBCYNAAT-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3cc(C4CC4)ccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPFSTHCDQBGAKP-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3c(F)cccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPMIMDXFZTOJG-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3ncccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWLZJKYMAYUHJU-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJOIEDZXBXUIG-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(N(C)c2ccc(C(F)(F)F)c(Cl)n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SETSZCZBYNKWKN-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2ccc(C(F)(F)F)cn2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKUEZLZNYNRRY-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2cccc(Cl)n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCBDKNBPXRUGEH-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(C(F)(F)F)n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LERVNDRDQDKGOL-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(C3CC3)n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYOVDIQSOQYKHR-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(-c3cccs3)nc(NN3C(=O)C=CC3=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKUHHUYMLTXHIZ-UHFFFAOYSA-N", "SMILES:O=C1C=CC(=O)N1Nc1ccc(C(F)(F)F)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYQBRMCCFNZAC-UHFFFAOYSA-N", "SMILES:C=CC(=O)NNc1nc(-c2cccs2)nc2cccc(OC)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIYIXIRHHNIBX-UHFFFAOYSA-N", "SMILES:C=CC(=O)NNc1ccc(C(F)(F)F)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPHPDKIAUCMEAF-UHFFFAOYSA-N", "SMILES:CCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKNAMRCQWHFNHM-UHFFFAOYSA-N", "SMILES:CC(C)C1=CC(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOHTTKOOHKKDC-UHFFFAOYSA-N", "SMILES:O=C1C=C(C2CC2)C(=O)N1Nc1ccc(C(F)(F)F)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYPUNMMSSWWGQN-UHFFFAOYSA-N", "SMILES:COC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYGELJZWATVIL-UHFFFAOYSA-N", "SMILES:CN(Nc1ccc(C(F)(F)F)c(Cl)n1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SALGFBSLMAYIJZ-UHFFFAOYSA-N", "SMILES:O=C1C=CC(O)N1Nc1ccc(C(F)(F)F)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRRAYJYSMHVVQQ-UHFFFAOYSA-N", "SMILES:O=C1C=CCN1Nc1ccc(C(F)(F)F)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGUTQJPRNUYGZ-UHFFFAOYSA-N", "SMILES:COC1C=CC(=O)N1Nc1ccc(C(F)(F)F)c(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKSXJTIKUAYVIH-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1ccc(C(F)(F)F)c(Cl)n1)N1C(=O)C(C)=C(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNRRIPWGUSZKB-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2ccc3cccc(Cl)c3n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNIJKWFOIYNDZ-UHFFFAOYSA-N", "SMILES:CC1=C(C)C(=O)N(Nc2ccc3cccc(Cl)c3n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSAYLXLTQNOOBI-UHFFFAOYSA-N", "SMILES:CC1=C(C)C(=O)N(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVZPTYQBLYQGGE-UHFFFAOYSA-N", "SMILES:CC1=CC(=O)N(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJLGGDHHSPANC-UHFFFAOYSA-N", "SMILES:CC(=O)N(c1ccc(C(F)(F)F)c(Cl)n1)N1C(=O)C=C(C)C1=O"]}
{"name": "Ran-specific GTPase-activating protein", "xref": ["CHEMBL.TARGET:CHEMBL6066219"], "id": "UniProtKB:P43487", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIXDLJJOWRQKF-UHFFFAOYSA-N", "SMILES:CC1=C(C)C(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHAWRDHMUSLMM-UPHRSURJSA-N", "SMILES:O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISATZAKHZRYAQT-JXAWBTAJSA-N", "SMILES:Cc1ccc(C2CC(=O)C(=CNCCN3CCOCC3)C(=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZWZTRVBYFUXEB-JXAWBTAJSA-N", "SMILES:Cc1ccc(C2CC(=O)C(=CNCCN3CCNCC3)C(=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFZLIMJOHAXAKZ-CYVLTUHYSA-N", "SMILES:Cc1ccc(C2CC(=O)C(=CNCCN3CCCCC3)C(=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODUNICHOIPKIL-VBKFSLOCSA-N", "SMILES:Cc1ccc(C2CC(=O)C(=CNCCN(C)C)C(=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSXQHTOCZLBVLY-LGMDPLHJSA-N", "SMILES:Cc1ccc(C2CC(=O)C(=CNCCCN(C)C)C(=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWRGQCLNVZLPJO-QINSGFPZSA-N", "SMILES:O=C1CC(c2cccc(Cl)c2Cl)CC(=O)C1=CNCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJVTLWTTOQLJE-QINSGFPZSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2ccccc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDUCVPKFHBCGAY-VBKFSLOCSA-N", "SMILES:Cc1ccccc1C1CC(=O)C(=CNCCN(C)C)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRFRRARYHSCLPW-VBKFSLOCSA-N", "SMILES:Cc1cccc(C2CC(=O)C(=CNCCN(C)C)C(=O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTFMQHUUUFNBBB-QINSGFPZSA-N", "SMILES:COc1ccccc1C1CC(=O)C(=CNCCN(C)C)C(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFFOBDYWHNALR-VBKFSLOCSA-N", "SMILES:COc1cccc(C2CC(=O)C(=CNCCN(C)C)C(=O)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVVLPNLKFCWSSW-VBKFSLOCSA-N", "SMILES:COc1ccc(C2CC(=O)C(=CNCCN(C)C)C(=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BASSHRJSNDWRAY-KAMYIIQDSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2ccccc2F)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXNGKXZWJHXLP-PTNGSMBKSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2cccc(F)c2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXHGKUTSVJRBM-PTNGSMBKSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2ccc(F)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGUCTQADVPUWKK-KAMYIIQDSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2ccccc2Cl)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYMLATLHUMYAQU-PTNGSMBKSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2cccc(Cl)c2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZKYDMDHNRUNQ-PTNGSMBKSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2ccc(Cl)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBBJZBNPWSOFOE-KAMYIIQDSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2ccccc2Br)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJNCOJYFKQBKBX-PTNGSMBKSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2cccc(Br)c2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRACEWWJVZMMRR-PTNGSMBKSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2ccc(Br)cc2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVYRJQTNUFHBU-RAXLEYEMSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2cccc(Cl)c2Cl)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWWLSHYRYLEJS-UVTDQMKNSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2cc(Cl)ccc2Cl)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAVZCHNYNOQUND-BENRWUELSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2c(Cl)cccc2Cl)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHLKKCDTOMDFK-UVTDQMKNSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2ccc(Cl)cc2Cl)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRGPEFREVHGPCD-LCYFTJDESA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2cc(Cl)cc(Cl)c2Cl)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAKBJQIQVKHXJN-QINSGFPZSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(C2CCCCC2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTAIVSJCZPWEL-BENRWUELSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2cccs2)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTWAYEABECQOJN-VBKFSLOCSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2cccc3[nH]ccc23)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZMLUYOSFDDHG-RAXLEYEMSA-N", "SMILES:CN(C)CCNC=C1C(=O)CC(c2c(Cl)c(Cl)cc3[nH]ccc23)CC1=O"]}
{"name": "Gamma-aminobutyric acid receptor-associated protein", "xref": ["CHEMBL.TARGET:CHEMBL4879423"], "id": "UniProtKB:O95166", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor-associated protein-like 1", "xref": ["CHEMBL.TARGET:CHEMBL4879515"], "id": "UniProtKB:Q9H0R8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-aminobutyric acid receptor-associated protein-like 2", "xref": ["CHEMBL.TARGET:CHEMBL4879445"], "id": "UniProtKB:P60520", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUROLLRUGVTWGB-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZBPHQJBFGXIHM-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWBBGCMMZNUJPT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBHIVDMKINIXIW-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITZJSXRLMPEHN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHRNOHSYROMPIN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccc(C(F)(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKPSMSHLDWKHSY-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccc(OC(F)(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTGHCLPWWQPEI-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCPPBFNZBYVOC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUBQVSJRMVOIP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccco2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZTVIXCRIWVIQ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccsc2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWGXEHZTRGYAP-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2cccs2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LISKPSPVRQXONO-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMNGZSMTUYCABN-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNJHZBCJURTVPF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccc(O)c(O)c2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUJRPEKFZQAOGB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVOPWWBDYQOOQC-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2scnc2C)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPHIEPYZXYVIQA-UHFFFAOYSA-N", "SMILES:CSc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWODVYBUBPXQBE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2c(Cl)cccc2Cl)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMCONQKXWERTF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccc(C#N)cc2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHQZJGHCFAFBP-UHFFFAOYSA-N", "SMILES:COc1ccc(C2C(C(=O)NCCc3c[nH]c4ccccc34)=C(C)NC3=C2C(=O)CCC3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSRCATBALQIFSW-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(C(=O)NCCc3c[nH]c4ccccc34)=C(C)NC3=C2C(=O)CCC3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAHXEQSUGLUTLT-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccc(F)cc2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTPLLYMVMCHCKV-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPBKJCGMKDOAQE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccsc2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBGJRKTIOPWOH-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c[nH]c3ccccc23)C(c2ccco2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYCIJRBWIQVLK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)NCCc2c(C)[nH]c3ccccc23)C(c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGOWFKDOXRYGAI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)C3=C(C)NC4=C(C(=O)CC(C)(C)C4)C3c3ccc(Cl)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTIXTYZBXHVPX-UHFFFAOYSA-N", "SMILES:CC(=O)CC(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUCWAOKQDGVOI-UHFFFAOYSA-N", "SMILES:CCNC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHKHRNPBLIRHA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYIMAJHLDPDCJZ-UHFFFAOYSA-N", "SMILES:Cc1nc2c(c(-c3ccc(Cl)c(Cl)c3)c1C(=O)NCCc1c[nH]c3ccccc13)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALWMLBTBABPOK-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2)C(c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXUBSMZGFNSHE-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYAVDYNKGRYRP-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1OC(=O)CN1CCOCC1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUINRUHXOVOLJ-UHFFFAOYSA-N", "SMILES:CC1CN(CC(=O)Oc2c(C(C)C)cccc2C(C)C)CC(C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIZWXQGNJORJN-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1OC(=O)CN1CCOCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWZWSAEOXBEHH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFKWXFVHADJTD-UHFFFAOYSA-N", "SMILES:CC1CN(CCC(=O)Oc2c(C(C)C)cccc2C(C)C)CC(C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPCDMSPGUFSOBO-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1OC(=O)CCN1CCOCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJDNXZCUXYUDO-UHFFFAOYSA-N", "SMILES:CCN(CC)CCOC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBVFXNQOBZEQKE-UHFFFAOYSA-N", "SMILES:CC1CN(CCOC(=O)Oc2c(C(C)C)cccc2C(C)C)CC(C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVPKUAKVDZBOP-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1OC(=O)OCCN1CCCCC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHQFEGOFGIFSBB-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCOC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXTWRYDVYUSVKJ-UHFFFAOYSA-N", "SMILES:CC1CN(CCCOC(=O)Oc2c(C(C)C)cccc2C(C)C)CC(C)O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLYJDPFHFGYRHC-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1C(=O)c1ccc2c(CN(C)C)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGFGAGJZOJPBJG-LJQANCHMSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1Oc1ccc(C[C@@H](N)C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDBPAUYGNRVMQP-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1C(=O)CSc1cccc[n+]1[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULVUNKPTVFRFQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)O)n[nH]2)ccc1Oc1c(C(C)C)cccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJVKAILKGJBHY-UHFFFAOYSA-M", "SMILES:CC(C)c1cccc(C(C)C)c1C(=O)c1ccc(N(C)CCS(=O)(=O)[O-])cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRPVADVAGTXFAF-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1OC1CCN(c2ccc(C(=O)O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFQHMYIAPCRDK-UHFFFAOYSA-N", "SMILES:Cc1nccn1Cc1ccc(C(=O)c2c(C(C)C)cccc2C(C)C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUHIHOAWKCIHP-UHFFFAOYSA-N", "SMILES:Cc1cc(COc2c(C(C)C)cccc2C(C)C)cc(C)c1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGALYPEFGOODG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)c2c(C(C)C)cccc2C(C)C)ccc1N1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGSIWDRDIICVKM-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2c(C(C)C)cccc2C(C)C)cc1OCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAVFKGAXDEJQI-FVMDXXJSSA-N", "SMILES:CCOC(=O)C[C@H]1CSC[C@]1(C(=O)OCC)n1cnc2c(Cl)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYRKWQCGSRKPKT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLVAUWZCQRJWTP-UHFFFAOYSA-N", "SMILES:COC(=O)CCn1cc(-c2ccc(C)nc2-c2ccc3c(c2)C(=O)N(C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNWISPRTXUGZPY-UHFFFAOYSA-N", "SMILES:COC(=O)CCCn1cc(-c2ccc(C)nc2-c2ccc3c(c2)C(=O)N(C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVDDVQSCRMWVHZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CCC#N)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIBMCLUCDTUCJE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CCCCC#N)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXEDGCIOAUOYOX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CCCN)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CECBYXHCFGMEDN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CCCN(C)C)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLHNUUUYHZSCQR-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2ccc3c(c2)C(=O)N(C)C3)c(-c2cnn(CC3CCCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDGBTFZVXCAFR-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTGADFEQXJYNZ-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc3c(c2)C(=O)N(C)C3)c(-c2cnn(CC3CCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILKNJDURJWWDMK-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(-c3ncncc3-c3cnn(CC4CCCC4)c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBICMPVSUYGPGO-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(-c3nc4ccccc4cc3-c3cnn(CC4CCCC4)c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVBQJDQUQUHRS-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)C(=O)NC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQSHWHJGEOEGSR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)C(=O)N(C)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNZLQODNRODUJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)C(=O)N(C)C3(C)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XALHTBGQGJKWOJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)C(=O)NC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJFAFGXKHOKYMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(N2CCn3cncc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQAAVKGXOQMQBN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)C(=O)N(CC#N)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSCNEPJIZHYDFO-NTCAYCPXSA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1ccc(-c2ncc(CNc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVOLVRZLYKTAA-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(-c2ncc(CNc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHVNQAUKBHQHG-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccc(-c3ncc(CNc4ccccc4)s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDHCTMABDJIAY-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(-c3ncc(CNc4ccccc4)s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHILJLFYAQLWHB-XMHGGMMESA-N", "SMILES:Nc1ccccc1NC(=O)/C=C/c1ccc(CNC(=O)c2ccc(-c3ncc(CNc4ccccc4)s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHVOZMLLNYQLP-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccc(-c2ncc(CNc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZPSEMSTEACWBZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2ncc(CNc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTDKGALTAWWPE-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)c2ncc(CNc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUYJMRAXNLDXQI-MELYUZJYSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2nnc(-c3ccccc3)o2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNZVBQVXXNKIP-MELYUZJYSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2nc(-c3ccccc3)no2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIGTXBXSPXMOPT-ZKKBRJJYSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2ccc(-c3ccccc3)o2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNFSXSPYDWASH-ZKKBRJJYSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2ccc(-c3ccccc3)s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKGPHIBPHOYCDO-MELYUZJYSA-N", "SMILES:Cl.O=C(CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKFNVSPKCAMZPI-ZKKBRJJYSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(Cc3ccccc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNZKPDYYTQYCSR-YFUYRHFLSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(CCc3ccccc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGJWUOLLBSROIA-ZKKBRJJYSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(CC3CCCCC3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBPUJIXDNIFGR-ZKKBRJJYSA-N", "SMILES:CN1CCC(Cn2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDKCVZKMTNBTRS-SQQLFYIASA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(Cc3cncnc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMUXTLTAWVGRK-QVNYQEOOSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(Cc3cccnc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABVDZSOFVUHBI-SQQLFYIASA-N", "SMILES:Cl.Cn1ccc(Cn2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXICHWEAHHFKW-QVNYQEOOSA-N", "SMILES:CN(C)c1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KORZUWIRXXFBMD-YFUYRHFLSA-N", "SMILES:CN(C)c1cccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIFBIFABENPPHW-YFUYRHFLSA-N", "SMILES:CN(C)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POEVVBIZHFOJJI-QVNYQEOOSA-N", "SMILES:Cl.N#Cc1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUUQTQAJLZNTI-ZKKBRJJYSA-N", "SMILES:Cl.N#Cc1cccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLSVOLRLQXSQTE-ZKKBRJJYSA-N", "SMILES:Cl.N#Cc1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGQWQWXKDXDARZ-UULHHVIKSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccccc3-c3ccccc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOIOWLLSJXMWIZ-NXCGSPNESA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3cccc(-c4ccccc4)c3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSWPDHFALHBKFJ-NXCGSPNESA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(-c4ccccc4)cc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAAMOBHQIJDPPS-QVNYQEOOSA-N", "SMILES:Cl.Fc1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQJJSIKZUCMBQ-QVNYQEOOSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(Cl)cc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REJLWSXOPBBGNA-YFUYRHFLSA-N", "SMILES:CC(=O)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANHAPVFSFLUCAD-YFUYRHFLSA-N", "SMILES:CCC(=O)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJTWYGQOYMJQMM-ZKKBRJJYSA-N", "SMILES:CNC(=O)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLRPQJWLVHVFBD-YFUYRHFLSA-N", "SMILES:CN(C)C(=O)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWFYJASKPATSI-UULHHVIKSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(-c4ccncc4)cc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOIDUXTUUBEBTP-OZYANKIXSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(-n4ccnc4)cc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQOQIZYRJZHNKG-MGBOEYOKSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCCC4)cc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUYORBUMVDIAGM-MGBOEYOKSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCOCC4)cc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHAZZFTZAUQFA-UULHHVIKSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCCCC4)cc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRZJNFQMUVIDJ-ZKKBRJJYSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4occc4c3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJOOMIYLZUVCGR-QVNYQEOOSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4oncc4c3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZLHRPSXOFONV-VASSOYJASA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4[nH]ccc4c3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YILMBCAVVIBYJY-SQQLFYIASA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4c(c3)OCO4)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQMMFBFLZQUWKY-QVNYQEOOSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4c(c3)OCCO4)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHPAGWKHUVDSPE-WRRDZZDISA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIGZWJXADJBJOZ-QLOBERJESA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4ncsc4c3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILWUIIKXLBCPO-ZKKBRJJYSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4sccc4c3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWFNAFFPAPFNBN-ZKKBRJJYSA-N", "SMILES:Cl.O=c1ccc2cc(-n3cc(CN[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nn3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRUOSYJWXTWKND-CQVJSGDESA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4ncccc4c3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATKJMLNCNOEGJL-MELYUZJYSA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3cccc4c3OCO4)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYEIAFKMPIWNGA-SQQLFYIASA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cnnn2-c2ccc3c(c2)OCO3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJUWJCUSPAHSI-SQQLFYIASA-N", "SMILES:Cl.Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4c(c3)OCO4)nn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJHFWQWNBJTKM-JKSUJKDBSA-N", "SMILES:Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(Oc3ccccc3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCKCULRALGZGZ-LLVKDONJSA-N", "SMILES:C[C@H](Cc1ccccc1)N(C)CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVGQSPSRQGIUSM-UHFFFAOYSA-N", "SMILES:COc1cc2c3c(c1O)-c1cc(N)ccc1CC3N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYAWRVAKORPPE-SSDMNJCBSA-N", "SMILES:COC1=CC2C[C@@H]3c4cc(O)c(OC)cc4CCN3CC2C=C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1962947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPSOJRHFJUUMC-HNNXBMFYSA-N", "SMILES:COc1cc2c(cc1O)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2334891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFKJOFJHSVROC-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL27559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZJSIHGOLMMBAL-MRXNPFEDSA-N", "SMILES:CCCN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225230", "category": ["biolink:ChemicalEntity"], "name": "R-N-PROPYLNORAPOMORPHINE", "xref": ["InChIKey:BTGAJCKRXPNBFI-OAHLLOKOSA-N", "SMILES:CCCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL405345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGKMOUOGPCFQTK-QGZVFWFLSA-N", "SMILES:CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVKWMLJXSQTSBS-LJQANCHMSA-N", "SMILES:CCCN1CCc2cc(OCCCF)cc3c2[C@H]1Cc1cccc(O)c1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJYDMAAHSFWGH-QGZVFWFLSA-N", "SMILES:CCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1cccc(O)c1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4633772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBQXZROAPGSYPJ-UHFFFAOYSA-N", "SMILES:C#CCOc1c(OC)cc2c3c1-c1cc(NC(C)=O)ccc1CC3N(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487182", "category": ["biolink:ChemicalEntity"], "name": "TETRAHYDROPALMATINE", "xref": ["InChIKey:AEQDJSLRWYMAQI-KRWDZBQOSA-N", "SMILES:COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2"], "synonym": ["Tetrahydropalmatine", "Tetrahydropalmatine l-form", "(-)-corydalis b", "(-)-rotundine", "(-)-tetrahydropalmatine", "Caseanine", "Gindarine", "Hyndarine", "L-tetrahydropalmatine", "Levo-tetrahydropalmatine", "Rotundine", "Tetrahydropalmatine", "Tetrahydropalmatine, (-)-", "Tetrahydropalmatine, dl-", "Tetrahydropalmatine, l-"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2425376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJCUJBCYBXGZOY-UHFFFAOYSA-N", "SMILES:Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL403550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGCVBGVDWQJTDF-HXUWFJFHSA-N", "SMILES:CCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL255229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDXVSTOHMBOXGN-GOSISDBHSA-N", "SMILES:CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(C)=O)c1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL235212", "category": ["biolink:ChemicalEntity"], "name": "(S)-RETICULINE", "xref": ["InChIKey:BHLYRWXGMIUIHG-HNNXBMFYSA-N", "SMILES:COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5558995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGZZZYNPULRNZ-CYBMUJFWSA-N", "SMILES:COc1cc2c(cc1OC)Oc1c(O)ccc3c1[C@@H](C2)N(C)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5567009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEQWPVBUZDJIHK-GFCCVEGCSA-N", "SMILES:COc1cc2c(cc1O)C[C@@H]1c3c(ccc(O)c3O2)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL452776", "category": ["biolink:ChemicalEntity"], "name": "CELTISINE", "xref": ["InChIKey:VRFVDWALYCNYTM-LBPRGKRZSA-N", "SMILES:COc1cc2c(cc1O)Oc1c(O)ccc3c1[C@H](C2)N(C)CC3"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL486189", "category": ["biolink:ChemicalEntity"], "name": "ATRACTYLON", "xref": ["InChIKey:TYPSVDGIQAOBAD-DZGCQCFKSA-N", "SMILES:C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5564304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEQXONQODOSUNF-RXQOFWMVSA-N", "SMILES:COc1cc2c(cc1O)[C@@H](Cc1ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL388342", "category": ["biolink:ChemicalEntity"], "name": "BOLDINE", "xref": ["InChIKey:LZJRNLRASBVRRX-ZDUSSCGKSA-N", "SMILES:COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2316499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKXOIHNFHOEPHN-CQSZACIVSA-N", "SMILES:COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(C)CC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5567914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBBUAJUYKLMGR-INIZCTEOSA-N", "SMILES:CCOc1c(O)cc(Br)c2c1CN1CCc3cc(OCC(F)F)c(O)cc3[C@@H]1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL470234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQIHXZDRQAKOMS-UHFFFAOYSA-N", "SMILES:OCc1c(Br)c(O)c(O)c(Br)c1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL228430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRLKFLGNILMDCZ-UHFFFAOYSA-N", "SMILES:Oc1c(O)c(Br)c(COCc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5562180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHPMLDQWLOSFPB-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(CCCC(=O)NCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYUHFHTXFXQCA-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(CCCC(=O)NCCCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDOTXBXUONUSHW-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(CCCC(=O)NCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXIHYTXPBUMCBK-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(CCCC(=O)NCCCCCCCCNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQBDSXFZSFNQM-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(CCCC(=O)NCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGYISAKXVYQBS-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(CCCC(=O)NCCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSDMBTVAIWHDFA-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(CCCC(=O)NCCCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDSLVSHOGVAEBU-UHFFFAOYSA-N", "SMILES:CN1CCC(COc2ccc(CN3CCC(O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHHWYEWTDRIPRL-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccc(OCC2CCNCC2)cc1)N1CCC(O)(COc2ccc(Cl)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPHFTOCGZWLPCN-UHFFFAOYSA-N", "SMILES:OC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc(OCC3CCNCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGCPJGNQZJZNHG-UHFFFAOYSA-N", "SMILES:O=C(NC1CCN(Cc2ccc(OCC3CCNCC3)cc2)CC1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDKJRYLNDWJWPO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(OCC3CCNCC3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLFQYVHOPPSDOG-KNXALSJPSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)B(O)O)C(C)(C)C)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFUNKXGYCLJUGP-AGRHKRQWSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)B(O)O)c1ccccc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCBYMZSQNRRRV-IXDGSTSKSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CC1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVUNSTAZIBRMHP-DCPHZVHLSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTZNDVSRHLXOR-NUTKFTJISA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)NCC(=O)N[C@@H](C)B(O)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKCNFJRCQSFBED-SYWGBEHUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPPJOIKWTUQMY-NUTKFTJISA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)B(O)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWSNXGBUSHMFLC-DCPHZVHLSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)B(O)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHZKKMVFHWFGD-LRGYGIHKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZGWOSWOCUZBSM-USJZOSNVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(C)C)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXVVZATZJGSLJI-USJZOSNVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)C)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TULRUWCTPHSINA-LSOMNZGLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C1CCC1)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWGYLGWPQKCQH-PYTWLRIVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NS(=O)(=O)c1nccs1)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCUVADHAFMSDO-FHQLIMNDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NCc1ccccc1)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEXCJKQYWWEPQ-LRGYGIHKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NCc1ccccn1)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCLIYDOLZXYFO-KTIFSJKTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCXGNRYWESANQV-KBFVSZBXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOQBJSRYLYSDE-PTRHGPIFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1cc(C)cc(C)c1)C1CCCC1)C(=O)NCC(=O)N[C@@H](C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLVPYSPCPBPHBY-YTBOOFRCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C1CCCC1)C(=O)NCC(=O)N[C@H]1CCC(=O)OB1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STRTUPPONHESFX-UNCIXQMVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)C1CCCC1)C(=O)NCC(=O)N[C@H]1CCC(=O)OB1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPYJYLJVRHIMOB-YMLRZMTOSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1cc(C)cc(C)c1)C1CCCC1)C(=O)NCC(=O)N[C@H]1CCC(=O)OB1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSVJHMVDNAERMF-RBKFWEOPSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]1CCC(=O)OB1O)[C@@H](C)O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJEDYDGSAXSVPY-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USZDDOBUMPPACY-GFCCVEGCSA-N", "SMILES:C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMXLMLARWDAXGV-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(CO)cs1)c1cccc(-c2ccccn2)n1"]}
{"name": "tRNA (cytosine(34)-C(5))-methyltransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5724616"], "id": "UniProtKB:Q9H649", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQIHIFJLHVPGPK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEZUSEFYHAIZSI-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3ccccc3Cl)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAWFKFLQMWNKLY-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3cccc(Cl)c3)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSWBQSXIFJFSBZ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEDDSGLUQRPJAD-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3ccccc3F)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEARHWNNLGTHF-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3cccc(F)c3)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIUDQWKYAYZLMR-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3ccc(F)cc3)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWUPDANRMVHBJM-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3ccccc3C(F)(F)F)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRAWVHINILDTEC-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3cccc(C(F)(F)F)c3)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWCRSSPJHNQQMD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Sc1ccc(C(=O)N2CCC(C)(N)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDJUYLJNPJSHDO-UHFFFAOYSA-N", "SMILES:Cc1cccc(Sc2ccc(C(=O)N3CCC(C)(N)CC3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUVNVYORDPIMJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Sc2ccc(C(=O)N3CCC(C)(N)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDHVAKCWOESDI-UHFFFAOYSA-N", "SMILES:COc1ccccc1Sc1ccc(C(=O)N2CCC(C)(N)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXURGUQBVBLAHA-UHFFFAOYSA-N", "SMILES:COc1cccc(Sc2ccc(C(=O)N3CCC(C)(N)CC3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKYNVQFCPPGBG-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2ccc(C(=O)N3CCC(C)(N)CC3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPEXCHIUAVDDNK-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3cccc(N)c3)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFIOXIBJVHSTH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3ccc(N)cc3)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFLHLAXUVXMOM-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3ccccc3C(=O)O)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRSWHWANMQORU-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3cccc(Cl)c3Cl)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWZKPFWTGQXRRG-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3Cl)o2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314427", "category": ["biolink:ChemicalEntity"], "name": "VOCIPROTAFIB", "xref": ["InChIKey:HISJAYUQVHMWTA-BLLLJJGKSA-N", "SMILES:Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c(CO)nc1Sc1ccnc(N)c1Cl"], "synonym": ["Vociprotafib", "Vociprotafib", "Vociprotafib", "Ptpn11 inhibitor rmc-4630", "Rmc 4630", "Vociprotafib", "RMC-0694630", "RMC-4630", "RMC4630", "SAR-442720", "SAR442720", "SAR442729", "Vociprotafib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095185", "category": ["biolink:ChemicalEntity"], "name": "JAB-3068", "xref": ["InChIKey:HGYTYZKWKUXRKA-MRXNPFEDSA-N", "SMILES:CC(=O)N1CC(F)(F)c2c(Sc3ncc(N4CCC5(CC4)COC[C@H]5N)nc3N)cccc21"], "synonym": ["Jab 3068", "Jab-3068", "JAB3068"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUPNFYMVCDYJQD-SMDDNHRTSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3ncc(Sc4cccnc4C(F)(F)F)c(=O)[nH]3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543051", "category": ["biolink:ChemicalEntity"], "name": "PF-07284892", "xref": ["InChIKey:HZCJDRDHKWNUGN-GOSISDBHSA-N", "SMILES:Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nn2)c1Cl"], "synonym": ["Pf-07284892", "ARRY-558"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLGMVCPRZTJIF-UHFFFAOYSA-N", "SMILES:O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMFOWASDCVVCFT-UHFFFAOYSA-N", "SMILES:O=C(C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBGCNBNMNHLCI-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)C2CN(c3ccc(Cl)c(Cl)c3)CCN2C(=O)c2cc(=O)[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCBNVFQVCFCEKC-UHFFFAOYSA-N", "SMILES:O=C1CCN(C(=O)C2CN(c3ccc(Cl)c(Cl)c3)CCN2C(=O)c2cc(=O)[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRMVLABSVOGPHX-UHFFFAOYSA-N", "SMILES:CC1(C)C2CN(C(=O)C3CN(c4ccc(Cl)c(Cl)c4)CCN3C(=O)c3cc(=O)[nH]c4ccccc34)CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDKPOLIILNYCP-UHFFFAOYSA-N", "SMILES:O=C1CC2CN(C(=O)C3CN(c4ccc(Cl)c(Cl)c4)CCN3C(=O)c3cc(=O)[nH]c4ccccc34)CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPKULQCUAQCJQ-UHFFFAOYSA-N", "SMILES:O=C1CC2(CCN(C(=O)C3CN(c4ccc(Cl)c(Cl)c4)CCN3C(=O)c3cc(=O)[nH]c4ccccc34)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEAXIWDPPOSPAP-UHFFFAOYSA-N", "SMILES:O=C(C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12)N1CCC2(CC1)COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMYSMZKFZOZLCC-UHFFFAOYSA-N", "SMILES:O=C(C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12)N1CC2(COC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZSLXJOHDGWCRZ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CC1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGWRJHXEGWXFBK-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCC1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBNXLWRIIKQGBR-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCC1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANZCWPXTVROHNY-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCCC1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVFYHUBJOWJRT-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCO1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHDWCIFNXAEJX-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCO1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUEYKERATKOXBN-UHFFFAOYSA-N", "SMILES:CN(CC1COCCO1)C(=O)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFILEVBXLNLABP-UHFFFAOYSA-N", "SMILES:O=C(NCCC(F)(F)F)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOYHFKVQWHBJCI-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CC1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFITMGECKBXRB-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCCC1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNICQZZSSGSRQN-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLWSECBHFPTDL-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCOCC1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRTRSLGKVCJVPS-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLYRKCQJXUHZTQ-UHFFFAOYSA-N", "SMILES:O=C(NCCCC(F)(F)F)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBOIVBUEVOPSKZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOCC1)C1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFILEVBXLNLABP-HXUWFJFHSA-N", "SMILES:O=C(NCCC(F)(F)F)[C@H]1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFILEVBXLNLABP-FQEVSTJZSA-N", "SMILES:O=C(NCCC(F)(F)F)[C@@H]1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGQIDNYYIXPGHF-UHFFFAOYSA-N", "SMILES:O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(Nc2ccc(Cl)c(Cl)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZRZTXAJEDAUQO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1NC1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOSTULOWRCABL-ZWKOTPCHSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N[C@H]1CCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDGGKAOSWHHHS-RTWAWAEBSA-N", "SMILES:O=C(N[C@H]1CCC[C@H]1Nc1c(C(=O)N2CCOCC2)cc(Br)cc1[N+](=O)[O-])c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRQVFOZUXMMRGE-UXHICEINSA-N", "SMILES:O=C(N[C@H]1CCC[C@H]1Nc1c(C(=O)N2CCOCC2)cc(Br)cc1[N+](=O)[O-])c1cc(=O)[nH]c2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQNFNRMHSDJSB-RPWUZVMVSA-N", "SMILES:O=C(N[C@H]1CCC[C@H]1Nc1c(C(=O)N2CCOCC2)cc(C2CC2)cc1[N+](=O)[O-])c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRUIXDXMKWIHNW-RPBOFIJWSA-N", "SMILES:COc1ccc2[nH]c(=O)cc(C(=O)N[C@H]3CCC[C@H]3Nc3c(C(=O)N4CCOCC4)cc(C4CC4)cc3[N+](=O)[O-])c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEHCNORHHNEKDE-PKTZIBPZSA-N", "SMILES:O=C(N[C@H]1CCC[C@H]1Nc1c(C(=O)N2CCOCC2)cc(C2CC2)cc1[N+](=O)[O-])c1cc(=O)[nH]c2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYIZTMVPLDETRV-YADHBBJMSA-N", "SMILES:CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2N[C@@H]2CCC[C@@H]2NC(=O)c2cc(=O)[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSUBFFNBYTVOGB-RTWAWAEBSA-N", "SMILES:CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2N[C@@H]2CCC[C@@H]2NC(=O)c2cc(=O)[nH]c3c(F)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTPOOTGEUZXMSP-RPBOFIJWSA-N", "SMILES:CN1CCN(C(=O)c2cc(C3CC3)cc([N+](=O)[O-])c2N[C@@H]2CCC[C@@H]2NC(=O)c2cc(=O)[nH]c3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVDPFHVOCAZQGP-FTJBHMTQSA-N", "SMILES:COc1ccc2[nH]c(=O)cc(C(=O)N[C@H]3CCC[C@H]3Nc3c(C(=O)N4CCN(C)CC4)cc(C4CC4)cc3[N+](=O)[O-])c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQMJVFFEFJACI-RPWUZVMVSA-N", "SMILES:CN1CCN(C(=O)c2cc(C3CC3)cc([N+](=O)[O-])c2N[C@@H]2CCC[C@@H]2NC(=O)c2cc(=O)[nH]c3c(F)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCZRIAKLGNMNU-MOPGFXCFSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHVDCJABHZQWDV-MOPGFXCFSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMGLRTIBLMFYRU-MSOLQXFVSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORXCZUHKLCGCRZ-MSOLQXFVSA-N", "SMILES:CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFFVXVXATZDEKJ-YADHBBJMSA-N", "SMILES:O=C(N[C@H]1CCCC[C@H]1Nc1c(C(=O)N2CCOCC2)cc(Br)cc1[N+](=O)[O-])c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUQOFJRJSSCEJE-RTWAWAEBSA-N", "SMILES:O=C(N[C@H]1CCCC[C@H]1Nc1c(C(=O)N2CCOCC2)cc(Br)cc1[N+](=O)[O-])c1cc(=O)[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRVRZQWDJPDYMC-RTWAWAEBSA-N", "SMILES:O=C(N[C@H]1CCCC[C@H]1Nc1c(C(=O)N2CCOCC2)cc(Br)cc1[N+](=O)[O-])c1cc(=O)[nH]c2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGEQARLYTHFXRC-PKTZIBPZSA-N", "SMILES:COc1ccc2[nH]c(=O)cc(C(=O)N[C@H]3CCCC[C@H]3Nc3c(C(=O)N4CCOCC4)cc(Br)cc3[N+](=O)[O-])c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHKLPFLJQEVGW-RPWUZVMVSA-N", "SMILES:COc1ccc2[nH]c(=O)cc(C(=O)N[C@H]3CCCC[C@H]3Nc3c(C(=O)N4CCN(C)CC4)cc(Br)cc3[N+](=O)[O-])c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZNWILPXXNKETO-YADHBBJMSA-N", "SMILES:CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2N[C@@H]2CCCC[C@@H]2NC(=O)c2cc(=O)[nH]c3c(F)cccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMDGNDVMRVAECK-MOPGFXCFSA-N", "SMILES:CNC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVXGEYVENMHUPC-YADHBBJMSA-N", "SMILES:CNC(=O)c1cc(C2CC2)cc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVDFVEQHSWMZPI-RPBOFIJWSA-N", "SMILES:O=C(N[C@H]1CCCC[C@H]1Nc1c(C(=O)N2CCOCC2)cc(C2CC2)cc1[N+](=O)[O-])c1cc(=O)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFLXXRLRVFFRKD-FTJBHMTQSA-N", "SMILES:COc1ccc2[nH]c(=O)cc(C(=O)N[C@H]3CCCC[C@H]3Nc3c(C(=O)N4CCOCC4)cc(C4CC4)cc3[N+](=O)[O-])c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUJYEBOODZAUNP-RPWUZVMVSA-N", "SMILES:O=C(N[C@H]1CCCC[C@H]1Nc1c(C(=O)N2CCOCC2)cc(C2CC2)cc1[N+](=O)[O-])c1cc(=O)[nH]c2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1707568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRXUDNPJNMUPKL-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4847339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEJOWRJWDWAODC-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4851009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUULRLPHNTXISN-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5558226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSMMDWRCUFTRDL-UHFFFAOYSA-N", "SMILES:CC(Cc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLNXJZKJMGQHH-UHFFFAOYSA-N", "SMILES:CCC(Cc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBRLPQGCRDCRR-UHFFFAOYSA-N", "SMILES:CC(C)C(Cc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRYQVTREZKVRMT-CABCVRRESA-N", "SMILES:O=C(O)[C@H]1C[C@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJEHJIBANLWWGL-UHFFFAOYSA-N", "SMILES:O=C(O)CNCc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGJYJCKPGNCKG-UHFFFAOYSA-N", "SMILES:CN(CC(=O)O)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMYMMWDHFMVDEP-UHFFFAOYSA-N", "SMILES:CC(NCc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLPYXGIGHNOJGE-UHFFFAOYSA-N", "SMILES:CC(C)CC(C(=O)O)N(C)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVEFUTMDQNWXTF-UHFFFAOYSA-N", "SMILES:CN(Cc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IITJFTJGIMHKSJ-UHFFFAOYSA-N", "SMILES:CN(Cc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJWZYSDHVHETAJ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(CCc3nnn[nH]3)oc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQCLDSZSCQCNEB-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5559650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTMMTSQHBNALGJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJOQNDSJLCSNM-UHFFFAOYSA-N", "SMILES:NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLIVKNLPWGHWRM-UHFFFAOYSA-N", "SMILES:CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZMZNOFEMDPCKX-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1609102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWTVMUKCRYINJA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONNLRDYEHSIWHB-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXDRFQJXJQCAAJ-UHFFFAOYSA-N", "SMILES:CC(Cc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVTYDSURQDFOT-BUHFOSPRSA-N", "SMILES:CN(C)C(=O)/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHIQVRQDHPZGJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTUHEGNOQJDTR-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVFRRUVTGFBQIP-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Cc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLQIWRCWPJRJJA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)c(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLQQRBVRKFGNBS-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1nc(CCC(=O)O)oc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMRMJUJGSMGJQC-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1oc(CCC(=O)O)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5561545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHLVOYSHFAXCES-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCNNC(=O)c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPRHUHCZVADPX-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTFFMSKYSLJXBT-NRFANRHFSA-N", "SMILES:CCCC(CCC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIAFMKQJWAZOHG-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)cc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQCNJYMQZGQDG-UHFFFAOYSA-N", "SMILES:NNC(=O)c1ccc(COc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSVOFGLOXPEEQI-FRKPEAEDSA-N", "SMILES:COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDXVCUBLSHDMMN-GIDUJCDVSA-N", "SMILES:COc1ccc2c(c1)O/C(=C/c1cc(O)cc(O)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSXPKYGRHVHEOA-MRXNPFEDSA-N", "SMILES:O=C(CCc1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)cc1)C(=O)O"]}
{"name": "Arginase", "xref": ["CHEMBL.TARGET:CHEMBL3108635"], "id": "UniProtKB:O96394", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5659"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1881977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIGSPHGJQIIJCX-UHFFFAOYSA-N", "SMILES:CC(=O)NC(CCc1ccc(Cl)c(Cl)c1)c1cccc(O)c(=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1496125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWIUQBFXLZSMJW-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2005058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIGMSXFBWIQPP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NCc2cc(O)c3ccccc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOHPXEDJWXZOLY-JYRVWZFOSA-N", "SMILES:COc1ccc(C2=C/C(=C/c3ccc(O)cc3O)C(=O)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZAHCAZTHZRDDI-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCC2CCC(c3ccc(O)cc3)CO2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1988705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIBANWOLXDOINM-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1ccccc1)CCc1c(O)c2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXQURYYQLGFDW-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2/C1=N\\CCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2002414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJDTMREVNFJHY-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIIOFXCSIBZUIM-LGMDPLHJSA-N", "SMILES:O=C1C(=O)C(CCc2ccccc2)C(=O)/C1=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1975520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMNXFLZLZLNMY-LAUHTZEZSA-N", "SMILES:N=C(N)/N=C(/C=C/c1ccccc1)CC1OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1968613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUXBDQJNYDNWOJ-UHFFFAOYSA-N", "SMILES:Cl.O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccccc2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USNVOJDHIXBAFO-NVHJMKHWSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXGISHVVRYYHCS-SONOPUAISA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQHFRXVTKLGOJM-UKSUMOQTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTMQDWOMOBXKCQ-UKSUMOQTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDEJRPSERLMBEW-KWMCUTETSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCOCCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTKKSHHBHDCGCC-KBMRNEIOSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLWKQCOPFBORR-NVHJMKHWSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CASMXSYMQTUPEK-KWMCUTETSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZQGQUXPVUGRQK-LRSOKBAUSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc32)c(C)c1NC(=O)C(=O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHJFAPLVMNZFAK-LQFJMUIISA-N", "SMILES:CC(=O)C(=O)Nc1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLGGXPOIBDUDQ-NAHYFOQLSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc32)c(C)c1NC(=O)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXLZMVVZPIUBO-WYWGOEFDSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc32)c(C)c1NC(=O)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXLZMVVZPIUBO-FLJYCKBPSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc32)c(C)c1NC(=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZQFRMBOYSLNH-VRMOTNPRSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc32)c(C)c1NC(=O)[C@@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHKGTKFOIZKKTQ-UMKNAPPCSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc32)c(C)c1NC(=O)[C@H](O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWLEXFXKIGFNM-GXKYMGBSSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc32)c(C)c1NC(=O)[C@@H](O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSBCFLGDNDHVIP-ZDQJCKGKSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc32)c(C)c1NC(=O)[C@H](O)c1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1688457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGJFEYSWQNHPIL-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4638816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICWICQQASBFCPL-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(OCc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKHXUCSOYDIYSU-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(OCc2ccc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGGNPOLHCNVPSE-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1ccc(COc2ccc(CCC(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRUNRHNEIHMGC-UHFFFAOYSA-N", "SMILES:Cl.Cn1nc(COCc2cccc(F)c2)c2c1CCN(Cc1ccc(COc3ccc(CCC(=O)O)cc3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMJIRHVJMPWHSG-UHFFFAOYSA-N", "SMILES:Cl.Cn1nc(COCc2ccccc2F)c2c1CCN(Cc1ccc(COc3ccc(CCC(=O)O)cc3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REOHOGRPNDMGGD-UHFFFAOYSA-N", "SMILES:COCCOc1ccc2c(n1)CCN(Cc1ccc(COc3ccc(CCC(=O)O)cc3)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFJXOZWOWAKAW-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1ccc(NCc2cccc(-c3ccc(OCCCN4CCOCC4)cc3F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDAAYDBUYFARRY-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCC(C)(C)C)ccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGQBVQXRUDQGEE-UHFFFAOYSA-N", "SMILES:CC(C)(C)CCCOc1ccc(-c2cccc(CNc3ccc(CCC(=O)O)cc3)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNWLQUKQWSLQT-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCCN2CCOCC2)ccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDSTYTRWFURZSI-WNCULLNHSA-N", "SMILES:CC1CCN(Cc2c(C(F)(F)F)ccc3c2CC[C@H]3Oc2ccc([C@H](CC(=O)O)c3ccon3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFFFHYXWGHVDL-BKMJKUGQSA-N", "SMILES:O=C(O)C[C@@H](c1ccc(O[C@@H]2CCc3c2ccc(C(F)(F)F)c3CN2CCC(F)CC2)cc1)c1ccon1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKHPPDFJJILDTE-WNCULLNHSA-N", "SMILES:O=C(O)C[C@@H](c1ccc(O[C@@H]2CCc3c2ccc(C(F)(F)F)c3CN2CCCCCC2)cc1)c1ccon1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFISOPURNQYMNZ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cccc(-c3ccccc3C)c2)ccc1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKAZDYSJFQTRN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEFIVYLDFFEZKL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDFWLYYDMGYTDE-WXVAWEFUSA-N", "SMILES:Cc1cc(O[C@H]2CCOC2)cc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(OCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAJAQJSVSDKOKR-VWLOTQADSA-N", "SMILES:Cc1ccc(O[C@H]2CCOC2)cc1-c1cc(COc2ccc(OCC(=O)O)cc2)cc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFIIXMDZAWTHB-WXVAWEFUSA-N", "SMILES:Cc1ccc(O[C@H]2CCOC2)cc1-c1cccc2c1CC[C@H]2Oc1ccc(OCC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVHXUMXBLBTQNS-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFPHCPGJZSBDPC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(SCC(=O)Nc3ccc(OCC(=O)O)cc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBCZZABRZDQXHS-UHFFFAOYSA-N", "SMILES:O=C(O)CC1COc2cc(OCc3cccc(NC(=O)c4coc5ccccc45)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGPSWCLQDHGXPM-VAWYXSNFSA-N", "SMILES:O=C(O)CC1COc2cc(OCc3cccc(O/C=C/Oc4ccccc4)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSXJQNUGUUZVQR-KLTYLHELSA-N", "SMILES:[2H]C([2H])(Cc1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADLYBSSJKFIGDM-FNHLFAINSA-N", "SMILES:[2H]C([2H])(Cc1ccc(OCc2cccc(-c3c(C)cccc3C)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOFBWPHHSPSSM-FNHLFAINSA-N", "SMILES:[2H]C([2H])(Cc1ccc(OCc2cccc(-c3ccccc3C)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJXCWIAIFTBSL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cccc(C(=O)Nc2ccc(CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHBXKWORQOPSHI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)Nc1ccc(CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1325260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEHJFOPARPPIAW-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2ccc(CC(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHWVERVJDDCAH-BWLMFSAKSA-N", "SMILES:Cc1c(Cc2ccc(F)c(C(=O)NCC(=O)N[C@@H](CC(C)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)c2)n[nH]c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDJIYQABLDDLST-OQXIOANDSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATXBWTLLRQPRTF-FRDNHCSESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAODZKSACVYCRN-FQEVSTJZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFFHJGCUWZRKD-SVBPBHIXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRASBLHKPMOJK-JLNUWYKLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKPGTGFSIKPAND-VMPREFPWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNSFMYQJXICPJZ-NUUGSWPISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOWWGFRAFDIXID-UIFZSLSKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(C)O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHPSHUGOCRYIEA-UXMFSLKUSA-N", "SMILES:COC[C@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLANDXFFHDDAK-DRJJFEHMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMRLPMGPWVJHRW-SVRJCQRGSA-N", "SMILES:CSCC[C@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGJCDWNULSEOPE-LKQQRHFWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQWLIKKTHHVQH-RYWRPSSMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTKRWKKHLIWZCM-QCDWPBSNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(C)(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFUQBDLMKVLYPM-SVRJCQRGSA-N", "SMILES:CCC[C@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSQASCVGNZIRJ-BYKHCDSLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKRNAQPKGMKNH-DKKZEUGHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cc2nn(C)c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSFRJFWHDEKNB-UHFFFAOYSA-N", "SMILES:CN(CC#Cc1ccccc1)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGGCJDKYSHRUDW-UHFFFAOYSA-N", "SMILES:CN(CC#CC1CCCCC1)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYSFRLUADCOQFS-UHFFFAOYSA-N", "SMILES:CN(CC#CCc1ccccc1)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYKXUAGLQFAJMD-UHFFFAOYSA-N", "SMILES:CN(CC#Cc1cccs1)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFADFEUHFTYCLS-VMPITWQZSA-N", "SMILES:CN(C/C=C/c1ccccc1)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFADFEUHFTYCLS-YVMONPNESA-N", "SMILES:CN(C/C=C\\c1ccccc1)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKPRUIQXWLKYLL-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2ccc(Cl)c(Cl)c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYLOWCZPCWNWDO-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2ccc(Br)cc2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXXMMXUZMBDQPU-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2cccc(Br)c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBQABNOVAOMNEZ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGZXPRGUAFKRJB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C[N+](=O)[O-])c2c(N)nc(N)nc2N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKQKWWEFFPJNS-UHFFFAOYSA-N", "SMILES:COc1cc(C(C[N+](=O)[O-])c2c(N)nc(N)nc2N)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKPFIUKRCOBMBN-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1C(C[N+](=O)[O-])c1c(N)nc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWWVOUOVLGQMX-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2ccco2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABMRMXOPYMWYBQ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2cccs2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWRVJGJHBRRRAI-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2cccc3c2OCO3)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYBRNTWRWOFABO-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2ccc3c(c2)CCO3)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRHLMMZMMBEGK-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2ccc3c(c2)OCCO3)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXRGNGUAMQRCES-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2csc3ccccc23)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCJTVULSCFTGRM-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2c[nH]c3ccccc23)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBAPZJOPFSGUQY-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGXXVJVCZAULK-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2ccccc2OCc2ccccc2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWAUUKZKLQKNOH-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2ccccc2OCc2ccccc2[N+](=O)[O-])c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICHSIWOPGUJDM-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2ccccc2OCc2cccc(Cl)c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZCOACYOLSDMM-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(C(C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL571518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTTIOYHBNXDJOD-UHFFFAOYSA-N", "SMILES:Nc1cc(N)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLHMVIROYUDHJH-ZHACJKMWSA-N", "SMILES:COc1ccccc1S(=O)(=O)/C=C/c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJRRKIRFHYTHEL-ZHACJKMWSA-N", "SMILES:COc1ccccc1S(=O)(=O)/C=C/c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGAHMQALQRKMCY-MDZDMXLPSA-N", "SMILES:COc1ccccc1S(=O)(=O)/C=C/c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPIOCVJMSFFQV-ZHACJKMWSA-N", "SMILES:COc1ccccc1S(=O)(=O)/C=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAUSLVYFRZYPAT-GQCTYLIASA-N", "SMILES:C=CCSC(=O)/C=C/c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSJQBGXCBNKOOM-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKIQZTILHTWDIX-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(=O)n4c(nc3c2)CCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPSRIPSARSRQLJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(=O)n4c(nc3c2)CCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJXOSFJOMEXGA-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(=O)n4c(nc3c2)CCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CARBKYYWBUSYBM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(=O)n4c(nc3c2)CCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXKMOXOZHCNNDK-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(=O)n4c(nc3c2)CCC4)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDMDHJHHRDGXSC-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(=O)n4c(nc3c2)CCC4)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLAAFJDQIDTLJB-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFUANWIQYIYUAL-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc(F)c1)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFDUUPBFMOPMBE-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccccc1F)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVDXRGXFWHKFHR-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1c(F)cccc1F)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMTVPTIJMSYSPE-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYRMZHZPWWVHKA-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARXQHWQZSIQLPK-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWPBGDZJDMFOP-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccccc1OC(F)(F)F)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBRHQNMERSDLJ-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJWZUPXLKJSLSK-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc(Cl)c1)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYAFZBPJJNHND-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccccc1Cl)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOXTNZYNZQBPR-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWYYLKMHVATQPR-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc(Br)c1)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVRGDKOKPRWMK-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccccc1Br)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXHCAUJPZTWEJB-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)NCC(=O)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLRYZJVBXAGDBG-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)Nc1ccc2c(=O)n3c(nc2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHRNILYPUULMY-UHFFFAOYSA-N", "SMILES:O=C(CCCCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc3n(c(=O)c2c1)CCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMTJJBAQDWOULH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4cccc(Nc5cccc(C(C)(C)C)c5)n4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRWEMNKOOMBHT-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cccc(-c3cnc4cc(-c5cnn(C)c5)ccn34)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKIFQZHDRYLOR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccn3c(-c4cccc(Nc5ccc(S(C)(=O)=O)cc5)n4)cnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZYNLWVPVRQLTH-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccn34)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEGIIFQEQLPTMS-CQSZACIVSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLHFXHHJFOJLK-CQSZACIVSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1cc[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPNUHQRMMPYBN-CQSZACIVSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYWUGGBWBGMOF-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGUMTCDRLLUXAX-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFIVIJNXEOXBIQ-OAHLLOKOSA-N", "SMILES:COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWWTZIFSKIZECD-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1c[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOCYWJDHLYXSTD-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1c[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFCRNXGYXSHAPP-MRXNPFEDSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFCAXZIXFFPTH-MRXNPFEDSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1cccc2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGLGHOKSBPMQAX-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc2ccccc12)N(C)Cc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVSVEKCOKVJORS-GOSISDBHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1CN(C)[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGNBZJZLQHQXGO-HXUWFJFHSA-N", "SMILES:Cc1ccc(NC2CCNCC2)cc1CN(C)[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJHIPJXBAUHPO-GOSISDBHSA-N", "SMILES:Cc1ccc(NCCN)cc1CN(C)[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFOZUXFQEHWPCB-QGZVFWFLSA-N", "SMILES:Cc1ccc(NCCNC(=N)N)cc1CN[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYCMRSZXJBFOPY-MRXNPFEDSA-N", "SMILES:C[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIPBLQRQOISTJI-HXUWFJFHSA-N", "SMILES:C[C@H](c1cccc(-c2ccc(CN3CCCC3)s2)c1)N(C)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAXLGTZNRDQLGI-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFLDGIDVNZLMND-LJQANCHMSA-N", "SMILES:C[C@H](c1cccc(-c2ccc(CN3CCCC3)s2)c1)N(C)Cc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQVZFQZHZBKNAB-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1c[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZLTSSTXLLGRY-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1c[nH]c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKBYKXMEWVMJMK-CQSZACIVSA-N", "SMILES:C[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWQKMDHILPYXTI-OAHLLOKOSA-N", "SMILES:C[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1ccc2cn[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGBHYLXCILMMKR-IBGZPJMESA-N", "SMILES:COc1cc(O)ccc1CN(C)[C@@H](C)c1cccc(-c2ccc(CN3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOFLVHBURBGWPF-LJQANCHMSA-N", "SMILES:C[C@H](c1cccc(-c2ccc(CN3CCCC3)s2)c1)N(C)Cc1ccc2[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMSUQTSTMNTUKH-HXUWFJFHSA-N", "SMILES:C[C@H](c1cccc(-c2ccc(CN3CCCC3)s2)c1)N(C)Cc1cccc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMRWLYLCXJHAMP-MRXNPFEDSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIRYFHYGTTVQBZ-PKLMIRHRSA-N", "SMILES:Cc1ccc(OCCNC(=N)N)cc1C(=O)N[C@H](C)c1cccc2ccccc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJBXXBJQRTLKG-OAHLLOKOSA-N", "SMILES:Cc1ccc(OCC(=O)NC(=N)N)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPTHYOWSIVDWCW-MRXNPFEDSA-N", "SMILES:Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWOHBCBKQORPG-MRXNPFEDSA-N", "SMILES:Cc1ccc(OC2CN(C(=N)N)C2)cc1C(=O)N[C@H](C)c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCGFCHGLKAXIQW-QGZVFWFLSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZINNVGJJNJFDN-MRXNPFEDSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(F)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEPZICNPBDAGK-QGZVFWFLSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVFIJBVJWUQAN-QGZVFWFLSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccccc2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGEMJPMQIHOZOC-GOSISDBHSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(C#N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBPZTRLSLCHJC-GOSISDBHSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc3c(c2)CCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZQCSNDEDEBAS-GOSISDBHSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc3c(c2)OCCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJKEZREHFDXLQ-MRXNPFEDSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIRZOSFQGIJWJI-MRXNPFEDSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccsc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDOIYXLGIVQMY-LJQANCHMSA-O", "SMILES:Cc1ccc(OCC[N+](C)(C)C)cc1C(=O)N[C@H](C)c1cccc(-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNBXQTFKZYMMOF-MRXNPFEDSA-N", "SMILES:Cc1cc(OCCN)ccc1C(=O)N[C@H](C)c1cccc(-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELAOFOLFMGHRU-MRXNPFEDSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(C#N)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWIWQWISQOQOM-GOSISDBHSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC3CC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDCHVTOBNSCSJE-MRXNPFEDSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccoc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKELBXVQMAMIDW-MRXNPFEDSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2cnn(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQDQNMVUNOAKO-OAHLLOKOSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2cnn(C(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGGUZTXLLEJSD-GOSISDBHSA-N", "SMILES:COCCn1cc(-c2cccc([C@@H](C)NC(=O)c3cc(OCCN)ccc3C)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAJFHRDXXJKMR-OAHLLOKOSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2c(C)noc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEEZEHIAHLYCLB-OAHLLOKOSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccn[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKXTYKBIRSHAJX-QGZVFWFLSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccn(C)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUYVDDBFESPJLM-OAHLLOKOSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2cn[nH]c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTOCOQDQANOCG-OAQYLSRUSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2cnn(Cc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJIJKEMXJFMQSC-OAHLLOKOSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2c[nH]nc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPKQPPAELYFCW-MRXNPFEDSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccnn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APNZIBCEMSPYLC-DEOSSOPVSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)C[C@@H]3N=Cc4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBIUHZNXIGZCAM-HKBQPEDESA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)CCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDNXCCEILKCRR-XIFFEERXSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)CCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5537100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIJPZIDFDQVPQS-DHUJRADRSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)CCCCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOZIYRADXRSMDY-PMERELPUSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPDOXWFWOKWOV-HKBQPEDESA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)CNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYPSSKCIQVPHAK-DHUJRADRSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)CCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YREDQWVZKZOPJD-LHEWISCISA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)CCOCCOCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXNRUNUKHGPGHO-HEVIKAOCSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)[C@@H]3CCCN3C(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYOXCQWGPIVWNX-PXLJZGITSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)[C@H](CC(C)C)NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNXDSIGKDHFGLL-HEVIKAOCSA-N", "SMILES:CSCC[C@H](NC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21)C(=O)OCCN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVNAPJHBIIKXCD-ZAQUEYBZSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVWRNHZPJPEOBK-UWXQCODUSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)[C@H](Cc3ccccc3)NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSINYBSAXNKEJ-PXLJZGITSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVYPYCBLRJADB-WYYRYWFOSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)C(C)NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYNWEHAEUXHGI-YNWFVEANSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)C(NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)C(C)C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMIWZLVXZDSLL-LQJZCPKCSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVRQEXNMNUKNC-PXLJZGITSA-N", "SMILES:Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)[C@@H]3CCCCN3C(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COIUZPLLKVMXQX-UHFFFAOYSA-N", "SMILES:O=C1CCOc2ccc(-c3ccc4nnc(Cc5ccc([N+](=O)[O-])cc5)n4n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRPGPQKREZTBPU-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2nnc3ccc(-c4ccc5c(c4)C(=O)CCO5)nn23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKABRZYPQHIJOV-UHFFFAOYSA-N", "SMILES:O=C1CCOc2ccc(-c3ccc4nnc(Cc5ccc6c(c5)OCCO6)n4n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAJAOCPPGWZCKU-UHFFFAOYSA-N", "SMILES:O=C1CCOc2ccc(-c3ccc4nnc(Cc5ccc6ncsc6c5)n4n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPBHVJWXFOCRI-UHFFFAOYSA-N", "SMILES:O=C1CCOc2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AURYNASHQYWLNJ-UHFFFAOYSA-N", "SMILES:O=C1CCOc2ccc(-c3ccc4oc(=O)n(Cc5ccc6ncccc6c5)c4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTOWCUCXMWTAFP-UHFFFAOYSA-N", "SMILES:O=C1CCOc2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKXOAKRRTZOQFN-UHFFFAOYSA-N", "SMILES:c1cnc2ccc(Cc3nnc4ccc(-c5ccc6c(c5)OCCO6)nn34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHJZCSWLDZDXSH-UHFFFAOYSA-N", "SMILES:c1cnc2ccc(Cc3nnc4ccc(-c5ccc6c(c5)OCO6)nn34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJQDVHVIVSTDQ-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQQNISGXARUDZ-UHFFFAOYSA-N", "SMILES:O=C1NCc2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWTNKPKELCVELT-UHFFFAOYSA-N", "SMILES:O=C1Cc2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOFXTURXDYIZDD-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUQKNGMRGWCYMD-UHFFFAOYSA-N", "SMILES:O=C1CCc2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBDSRCDRUDZPE-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLUATNYPAIKKBQ-UHFFFAOYSA-N", "SMILES:CC(C)N1Cc2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDZZKLFMPSOGBT-UHFFFAOYSA-N", "SMILES:O=C1COc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIIGGIVLNUQNOT-UHFFFAOYSA-N", "SMILES:O=C1CCCc2ccc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOZPLVXEJQBGIB-UHFFFAOYSA-N", "SMILES:O=C1CCOc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKDZMAKXLSYDH-UHFFFAOYSA-N", "SMILES:O=C1NCCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIAGIJCQQNHED-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLHXYQNYPWJGTF-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPXDRYRZLXCNA-UHFFFAOYSA-N", "SMILES:OCCn1ccc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDDYVMVIJOVPSQ-UHFFFAOYSA-N", "SMILES:c1cnc2ccc(Cc3nnc4ccc(-c5ccc6c(ccn6CCN6CCOCC6)c5)nn34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBECJHNVUIMVDU-UHFFFAOYSA-N", "SMILES:CC(C)n1ncc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHIHSWTFPUNSA-UHFFFAOYSA-N", "SMILES:OCCn1ncc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHBTXVDMMYODRO-UHFFFAOYSA-N", "SMILES:c1cnc2ccc(Cc3nnc4ccc(-c5ccc6c(cnn6CCN6CCOCC6)c5)nn34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNMVLJFZQPPKBG-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJYBORYCBGRLN-UHFFFAOYSA-N", "SMILES:CCN1C(=O)CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMHLMRJUMVIAC-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)CN1C(=O)CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUQZLEIDOIOWRT-UHFFFAOYSA-N", "SMILES:O=C(O)CN1C(=O)CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUWQAQBAFIOFGZ-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEHMVHAWDJYHKQ-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIBSIOHDHDUVBB-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVQSFSNABPXIH-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)CN2C(=O)CCc3cc(-c4ccc5nnc(Cc6ccc7ncccc7c6)n5n4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUIAGGDNZFXEM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(C(=O)CN2C(=O)CCc3cc(-c4ccc5nnc(Cc6ccc7ncccc7c6)n5n4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUVKLXPOLOFCNM-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIARNNBXTHQULO-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)CN2C(=O)CCc3cc(-c4ccc5nnc(Cc6ccc7ncccc7c6)n5n4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYAFBAWJOSYFW-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(C(=O)CN2C(=O)CCc3cc(-c4ccc5nnc(C(F)(F)c6ccc7ncccc7c6)n5n4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVLJEQRXXLABEN-UHFFFAOYSA-N", "SMILES:O=C(CN1C(=O)CCc2cc(-c3ccc4nnc(C(F)(F)c5ccc6ncccc6c5)n4n3)ccc21)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIHDDFHFGLLIJQ-UHFFFAOYSA-N", "SMILES:FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc4c(c3)OCCO4)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOXQPSRNGSHKK-UHFFFAOYSA-N", "SMILES:CC(C)n1ccc2cc(-c3ccc4nnc(C(F)(F)c5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNPLCRPYESJPBS-UHFFFAOYSA-N", "SMILES:OCCn1ccc2cc(-c3ccc4nnc(C(F)(F)c5ccc6ncccc6c5)n4n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYUZLGEGVRCAE-SZQRZZBWSA-N", "SMILES:C[C@H](Nc1ccnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4640161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMXKPTGSSPDSDA-YYKLUXLBSA-N", "SMILES:COc1ccc(/C=C/C(=O)/C(=N/Nc2ccc(S(N)(=O)=O)cc2)N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZCANRPFPVWXMP-JGGPRTMHSA-N", "SMILES:COc1ccc(/C=C/C(=O)/C(=N/Nc2ccc(S(N)(=O)=O)cc2)N2CCOCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKDFMXNVGSIHJJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105120", "category": ["biolink:ChemicalEntity"], "name": "FTIVAZIDE", "xref": ["InChIKey:PSWOBQSIXLVPDV-CXUHLZMHSA-N", "SMILES:COc1cc(/C=N/NC(=O)c2ccncc2)ccc1O"], "synonym": ["Ftivazide", "Ftivazide", "Ftivazida", "NSC-31725"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3417457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFOSUQIJMEOGA-KTQFYHDFSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C6CCNCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDDYENCDWEHSB-DWKDZXJCSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccc(F)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYBXFFKLIMNOJC-FEEUUYKBSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccc(F)c(F)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVLOIQDGAAGJS-LGYCLZCISA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6c(F)c(F)c(F)c(F)c6F)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4576728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOVQKGKFVIISM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYGQAEBFAYNYOG-GHRIWEEISA-N", "SMILES:CCCCOC1Oc2ccccc2C(=O)/C1=C\\Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHTYOOSKWPNGMT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXRVQUSZLXTZOB-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAJAZYORDWHLEY-UHFFFAOYSA-N", "SMILES:CN(CC1CCCCC1)c1ncnc2[nH]c(-c3ccccc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEAHBXMJOHNFGR-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc3c(NCC4CCOCC4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFWONNPADCUPCL-UHFFFAOYSA-N", "SMILES:CC(Nc1ncnc2[nH]c(-c3ccccc3)cc12)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMXFRWBOMTWOEJ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc3c(N4CCCC4C4CCOCC4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJLZSAYTHSGEED-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc3c(NC4CCOCC4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYDJECLZPHLFH-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKBXXKXVFRFCKR-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(F)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPKKHKTFPHGDC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(N(C)CC4CCOCC4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAXUDCKOUJVPHI-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(O)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWXLKMRMNMCTGN-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(C(F)F)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXTFUZBFSUCMKL-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAAOOIRCKFYPFT-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCYRSMZWTVZXCL-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(CCO)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTPXFVWWMFAJD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cc3c(N(C)CC4CCOCC4)ncnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNMZXJQOHWTMV-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISSAIPRVFNYANG-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBRVIVSDRMRBCO-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJXJSOGCVGLQMO-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(C4(O)COC4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXODLOMIHZDJLW-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(C(=O)O)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNYMUFQGMXBOX-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccc(N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCFSNJHEQQYNIL-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPJMRRKAWBONH-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQCQOGXFTTXLY-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3cccc(CO)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHQPSUABDLKKX-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cc3c(N(C)CC4CCOCC4)ncnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFPINXVUMYRJFL-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3cccc([N+](=O)[O-])c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLFDUZRMVCNKQP-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(-c3cccc(N)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRINOPDXUGKID-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(-c2cc3c(N(C)CC4CCOCC4)ncnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUGYBMVADCFZAL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2cc3c(N(C)CC4CCOCC4)ncnc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROMPDAQFKLKMHH-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(C3=CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWFVXLVMQSOGCS-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(C3=CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQMUZDJQPABFRG-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(C3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMRURXAYIPUFR-UHFFFAOYSA-N", "SMILES:CN(CC1CCOCC1)c1ncnc2[nH]c(C3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOXRVVRFODOLDI-UHFFFAOYSA-N", "SMILES:CN(CC1CCCCC1)c1ncnc2[nH]c(C3=CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQKTXZYRUPHRCF-UHFFFAOYSA-N", "SMILES:CN(CC1CCCCC1)c1ncnc2[nH]c(C3=CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVHLHDNVTNXSMP-UHFFFAOYSA-N", "SMILES:CN(CC1CCCCC1)c1ncnc2[nH]c(C3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAGHAVOCAUJPPW-UHFFFAOYSA-N", "SMILES:c1nc(NCC2CCOCC2)c2cc(-c3ccc(CN4CCOCC4)cc3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHAKTOYFKQNDKX-UHFFFAOYSA-N", "SMILES:c1nc(N2CCCC2C2CCOCC2)c2cc(-c3ccc(CN4CCOCC4)cc3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWPHEZZNOUDSP-UHFFFAOYSA-N", "SMILES:c1nc(NC2CCOCC2)c2cc(-c3ccc(CN4CCOCC4)cc3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHUONWFTNNBSGE-UHFFFAOYSA-N", "SMILES:c1nc(N2CCOCC2)c2cc(-c3ccc(CN4CCOCC4)cc3)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXAPTHQEQXCFZ-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ncnc2[nH]c(C3=CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHSZPMMCSAEKHL-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C)c2ncnc3[nH]c(C4CCCCC4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNOJRTMCNYGROI-UHFFFAOYSA-N", "SMILES:CNc1ncnc2[nH]c(C3CCCCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLCGICGONGDUOI-BOPFTXTBSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N/C(=C\\C(=O)OC(C)(C)C)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMSPUWHNSXIMEO-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cccc(-c2cnc3nc[nH]c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNUUCXVXOZDAK-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cc2c(c(-c3ccnc4nc[nH]c34)c1)OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZKRWATLOMSFR-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1-c1cncc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJNUCHZPSMXNQ-UHFFFAOYSA-N", "SMILES:Cc1nn(C)cc1-c1cncc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZTFNATYSDVVJS-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cncc(-c3ccnc4nc[nH]c34)c2)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVKZOVDHNIOHU-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cnccc2-c2ccnc3nc[nH]c23)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQLRQOMWKSGOBT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cncc(-c3ccnc4nc[nH]c34)c2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRCQGLNJKRFDEW-UHFFFAOYSA-N", "SMILES:CCn1nc(C)c(-c2cncc(-c3ccnc4nc[nH]c34)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXHDPYHRCHDBA-UHFFFAOYSA-N", "SMILES:Cc1nn(CC2CC2)c(C)c1-c1cncc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNBSTXGDDVGLRZ-UHFFFAOYSA-N", "SMILES:Cc1nn(CC2CCC2)c(C)c1-c1cncc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLYZFXUYDWPBBZ-UHFFFAOYSA-N", "SMILES:Cc1nn(CC2CCCC2)c(C)c1-c1cncc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWHYLXMGKMRHNA-UHFFFAOYSA-N", "SMILES:Cc1nn(CC2CCCCC2)c(C)c1-c1cncc(-c2ccnc3nc[nH]c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONIAWXAEVQCES-MHZLTWQESA-N", "SMILES:CNC(=O)C[C@H](CC1CCN(C(=O)Cc2ccc3[nH]c(=O)cc(C)c3c2)CC1)NC(=O)c1ccc(-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYHPWTXYRPOJU-CMBQMBOTSA-N", "SMILES:Cc1ccc(CC2CN(C(=O)C3C(C)(C)[C@@H]4CC[C@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYGWVVLVGYJYLJ-WMLDXEAASA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1ccc(C2CC2)c(C(N)=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZJDQKOCOLSNK-DLBZAZTESA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCC)CC2)c(C(N)=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRRIYXYMCCPKRN-ZWKOTPCHSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCC)CC2)c(C(=O)NC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONZCWHNGJMOHQQ-RBUKOAKNSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCC)CC2)c(C(=O)N(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPMTKHXFGCIMW-ZWKOTPCHSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C(C)(C)CCCC)c(C(=O)NC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZNAUMYIUSSCLD-DLBZAZTESA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(N)=O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWQQUUDBBSDHJ-ZWKOTPCHSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)NC)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEJDFYNFVLLEIL-RBUKOAKNSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)N(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDRGWXLAZULOO-VQTJNVASSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)NC2CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKVOVXWEBSQJPA-UONOGXRCSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5573478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGQSEIIKUROJJS-JKSUJKDBSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C(C)C)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAVSOPWPCLDOMW-JKSUJKDBSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUQXKMHJIYFFAD-DLBZAZTESA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(-c2ccccn2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYAIRULEPGJACN-JKSUJKDBSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C#CC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKGPRINCDCBDJ-DLBZAZTESA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C(=O)CCCC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIUUIMOOYFBDMT-ZWKOTPCHSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2CCCC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOBGJOILUKJCSC-RBUKOAKNSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2CCCCC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDPCLIUSUWFDLB-HWKANZROSA-N", "SMILES:COc1cc(/C=C/C(=O)O)ccc1OCC(N)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL320295", "category": ["biolink:ChemicalEntity"], "name": "O,O'-DIMETHYLCAFFEIC ACID", "xref": ["InChIKey:HJBWJAPEBGSQPR-GQCTYLIASA-N", "SMILES:COc1ccc(/C=C/C(=O)O)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5567533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWHZRVICIFCJX-SFHVURJKSA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCNc2c3c(nc4ccccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFSVOXAPXLGZJI-IBGZPJMESA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCCNc2c3c(nc4ccccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEIOWXWYOGVNU-FQEVSTJZSA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCCCNc2c3c(nc4ccccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDYGVAJWPDKTBP-NRFANRHFSA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCCCCNc2c3c(nc4ccccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIRMVUVCTGYBSK-QFIPXVFZSA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCCCCCNc2c3c(nc4ccccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRDCAGUOYDFAW-FQEVSTJZSA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCCCCNc2c3c(nc4cc(F)ccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIZPSOGNDAPIKG-NRFANRHFSA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCCCCCNc2c3c(nc4cc(F)ccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJTJZAWRGQSCSI-FQEVSTJZSA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXONDHWNKWLFQQ-NRFANRHFSA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLOHVAHQZJYGNF-FQEVSTJZSA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCCCCNc2c3c(nc4cc(Br)ccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYIKXFFEWNORHF-NRFANRHFSA-N", "SMILES:C[C@@H](c1cccc(OC(=O)NCCCCCCNc2c3c(nc4cc(Br)ccc24)CCCC3)c1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZSLYGYSXHUYPJ-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHNESHEQKSPCM-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMABALKLBVDHMN-UHFFFAOYSA-N", "SMILES:O=C(NCCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VONJCWNKPFFSJN-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKXBOYRQFZRSIN-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQWIHILFCJBZCJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3cc(F)ccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJHVUDTYEXHEQF-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1c2c(nc3cc(F)ccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZBVXAVQXYAGRD-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKVZHPZFKSIJFO-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLRUHUZUZIBWEW-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3cc(Br)ccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQSRHPORQLJLNY-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1c2c(nc3cc(Br)ccc13)CCCC2)Oc1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRMKEPFFMWMTN-UHFFFAOYSA-N", "SMILES:O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHQOLWOIWRSJNI-UHFFFAOYSA-N", "SMILES:O=C(NCCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSQVLBAJPVNTPW-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCUSFEPDEQONLX-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFJXBGNYWMKBNZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3cc(F)ccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLLZOVFQZLICZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1c2c(nc3cc(F)ccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWTOXEDVTGWMOK-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGARMBFVHCLEI-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWZGANCSYOXEZ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCNc1c2c(nc3cc(Br)ccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRWQMVDTZBQFOR-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1c2c(nc3cc(Br)ccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVEUUKFTMQGKNW-UHFFFAOYSA-N", "SMILES:O=C(NCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc(-c2cc3cccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSNAVOXIRNTLP-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1"]}
{"name": "Beta-ketoacyl-[acyl-carrier-protein] synthase III", "xref": ["CHEMBL.TARGET:CHEMBL4914"], "id": "UniProtKB:P0A6R0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORONSIRJPCOPAB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)c2ccc3c(c2)OCCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLNOUYUREZQGOZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)OCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXBURGGZVZTMTH-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccnc1NC(=O)c1ccc2c(c1)OCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFEZNNYMQPAUME-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccnc1NC(=O)c1ccc2c(c1)OCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSYCXWTMBXPJL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cc[nH]c2c1)c1ccc2c(c1)OCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQFJEQKSDZEGB-UHFFFAOYSA-N", "SMILES:COC(=O)c1c[nH]c2cc(NC(=O)c3ccc4c(c3)OCCCO4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVGRJXCCNBYJBR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc2cccnc12)c1ccc2c(c1)OCCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPRVXLMWKGBWME-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2ccc(NC(=O)c3ccc4c(c3)OCCCO4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNQGIUYQDELHU-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CNC(=O)Nc1ccccc1Cl)cn2CC(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWWWFQUZQOMBGX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CNC(=O)Nc1ccc(F)cc1F)cn2CC(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPRWQRVBTHWMEX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CC(=O)N2CCCC2)c2ccc(F)cc12)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLFLTGLGXSUAAJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CC(=O)N2CCCCC2)c2ccc(F)cc12)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZGJBYFGTKCESG-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CC(=O)N2CCOCC2)c2ccc(F)cc12)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKHQEYYGONFDJK-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)Cn2cc(CNC(=O)Nc3ccc(F)cc3F)c3cc(F)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHMCHJVVDDZRZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(CC(=O)N2CCCCC2)c2ccc(F)cc12)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCYMRDKSZTDES-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CNC(=O)Nc1ccc(F)cc1F)cn2CC(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMHMVSQQAMERJL-WNJJXGMVSA-N", "SMILES:CC(=O)O[C@H]1Oc2c(C(C)C)cc3ccc4c(C)c(C)ccc4c3c2O[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMHMVSQQAMERJL-GGXMVOPNSA-N", "SMILES:CC(=O)O[C@@H]1Oc2c(C(C)C)cc3ccc4c(C)c(C)ccc4c3c2O[C@@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHRTNAETFCBOD-WNPPLKHISA-N", "SMILES:Cc1cccc2c1ccc1cc(C(C)C)c3c(c12)O[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHRTNAETFCBOD-MXVXFNSUSA-N", "SMILES:Cc1cccc2c1ccc1cc(C(C)C)c3c(c12)O[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](c1ccc(O)c(O)c1)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVJJEUIDBHHFB-MXVXFNSUSA-N", "SMILES:Cc1cccc2c1ccc1cc(C(C)C)c3c(c12)O[C@H](c1ccc(O)c(O)c1)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVJJEUIDBHHFB-WNPPLKHISA-N", "SMILES:Cc1cccc2c1ccc1cc(C(C)C)c3c(c12)O[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMHMVSQQAMERJL-UHFFFAOYSA-N", "SMILES:CC(=O)OC1Oc2c(C(C)C)cc3ccc4c(C)c(C)ccc4c3c2OC1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTKUPGWANWPSS-NSHDSACASA-N", "SMILES:N[C@H]1CCN(C(=O)C2Cc3c(O)c4c(c(O)c3C2)C(=O)c2ccccc2C4=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVJFIIMJBUFFGC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUKOXPGUCJWGKN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKHYNZBHJKQOT-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(Cc2ccc(S(N)(=O)=O)cc2)Cc2cccc(OCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPOUZXLIJISCX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKZSEHLTPVTOO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRZJDNUNCFXTOJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N(Cc1ccc(S(N)(=O)=O)cc1)Cc1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOUVZWMFNVWAHY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(S(N)(=O)=O)cc2)Cc2cccc(OCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIUAIKKIJNFGDN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOHYCDPYXMVDEK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCXWLSZGLSLHDR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPQMLNFUSZPESN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKHLPLUBXYRROX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXOMDCVBOUVYFL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(CCc2ccc(S(N)(=O)=O)cc2)Cc2cccc(OCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLSUJPZNHYSAPC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLDMFNHLAZTWRT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOCWZYVOUHOSA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(OCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPLASNFMWLWPX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)N(CCc2ccc(S(N)(=O)=O)cc2)Cc2cccc(OCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBFAJFSUYSRACR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSQQBKSLWAPFPT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFYJSNVWOPKLS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBINAWAQBYZMQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYXZFLPCTUSLD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSAICMSSAPGTMK-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(Cc2ccc(S(N)(=O)=O)cc2)Cc2cccc(NCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCBPDLACJMYLTE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYSXDCSVPDJHG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWLMYDRUZFJVAL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N(Cc1ccc(S(N)(=O)=O)cc1)Cc1cccc(NCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSUHLLZAUIFKRU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(S(N)(=O)=O)cc2)Cc2cccc(NCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDAMPCISNLTWPL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJWGACMFBZFAPZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXERSONYQKALBK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFLXBAEGDNZNI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URFAKYZLKBBOET-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N(CCc2ccc(S(N)(=O)=O)cc2)Cc2cccc(NCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYCGWDNOIGZCS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTBGCXPGOTVOBX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWODLBLFAENKV-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(NCC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQBBYRXNOFSMP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)N(CCc2ccc(S(N)(=O)=O)cc2)Cc2cccc(NCC(=O)O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDZDBBPCPFBOFS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACYPVNAKQMJPHA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZXYKYPJCLAGCU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2cccc(NCC(=O)O)c2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQHQZDMDWPGKJ-OWJGMJJSSA-N", "SMILES:C=CCN1CCC23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H]2CSCC(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N2)[C@@H](C)O)CCC3C1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRGOMASAZORJP-CLWVLURGSA-N", "SMILES:C[C@H](O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]2CCC3C4Cc5ccc(O)c6c5C3(CCN4C)[C@H]2O6)[C@@H](C)O)NC(=O)[C@H]([C@H](C)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMDZENDLIPDPX-ZDUSSCGKSA-N", "SMILES:O=C1N[C@@H](Cc2ccccc2)C(=O)N1c1cncc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5197731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXLPXHZFEJYXBB-UHFFFAOYSA-N", "SMILES:Cn1c(N)nc2cccc(Cl)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5169665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXHWPJIVPMKZBW-UHFFFAOYSA-N", "SMILES:Cc1cc(N)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAIYUIOGVNRXEW-UHFFFAOYSA-N", "SMILES:N#Cc1cncnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIBXZPKIDAMNCF-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)ncnc1-c1cnn(Cc2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5422554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGGFFVVFDCJGHV-WOJBJXKFSA-N", "SMILES:C=C(F)C(=O)N1C[C@@H](n2cc(-c3cccnc3)nn2)[C@H](OCc2ccc(C(F)(F)F)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPSYEVVQJDPPAQ-UHFFFAOYSA-N", "SMILES:Cc1ccc2ncccc2c1-c1ccc(O)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOZDQFOSAVBDBE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NCc2ccccc2OCCOCCOCCOc2ccccc2CNc2cc(C(=O)O)cc(-c3ccnc4ccccc34)c2)cc(-c2ccnc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXAIQPJYHNSTB-DTQQBUQRSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)O/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCWKRWFRKXKVCQ-IZILIWTCSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)O/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccc(F)cc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PESJPLZDCBOKEA-IZILIWTCSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)O/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccc(Br)cc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMRYYJOSBDKMMS-FHWUSBBXSA-N", "SMILES:COc1ccc2c(c1)C(=N\\OC(=O)CCn1cc(COc3ccc(N(C(=O)CCl)C(C(=O)NCCc4ccccc4)c4cccs4)cc3Cl)nn1)/C(=C1/C(=O)Nc3ccccc31)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWXKYWJCNBMQMR-IZILIWTCSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)O/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2cc(F)ccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPHNKEQQZPCKCP-IZILIWTCSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)O/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2cc(Cl)ccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQQXRFITKZTTIZ-FHWUSBBXSA-N", "SMILES:COc1ccc2c(c1)NC(=C1\\C(=O)Nc3ccccc31)/C2=N/OC(=O)CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUXBSHWEPFMKDY-QYQLQPRDSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)O/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2cc(F)c(F)cc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTXHKLAEDXMGU-QYQLQPRDSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)O/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2cc(Cl)c(Cl)cc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLSDCMMLTJQOEH-MZDIGCRUSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)NCCCO/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASPBKSRUYUJDML-BAGLMRKJSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)NCCCO/N=C1C(=C2/C(=O)Nc3ccc(F)cc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZODYYQQZYLRBM-BAGLMRKJSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)NCCCO/N=C1C(=C2/C(=O)Nc3ccc(Cl)cc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGEGXQDOOZAXHO-BAGLMRKJSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)NCCCO/N=C1C(=C2/C(=O)Nc3ccc(Br)cc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOHDDGKBPMRXIX-KIVOXPNPSA-N", "SMILES:COc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\\OCCCNC(=O)CCn1cc(COc3ccc(N(C(=O)CCl)C(C(=O)NCCc4ccccc4)c4cccs4)cc3Cl)nn1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFXMINKYDYKYBW-BAGLMRKJSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)NCCCO/N=C1C(=C2/C(=O)Nc3cc(F)ccc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEZADXODAUYSL-BAGLMRKJSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)NCCCO/N=C1C(=C2/C(=O)Nc3cc(Cl)ccc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJLMJXAQSNBUAV-BAGLMRKJSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)NCCCO/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFOXIJRTZOAGDX-KIVOXPNPSA-N", "SMILES:COc1ccc2c(c1)NC(=O)/C2=C1\\Nc2ccccc2\\C1=N/OCCCNC(=O)CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHOTDHRBQDKNV-KOVFCNMLSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)NCCCO/N=C1C(=C2/C(=O)Nc3cc(F)c(F)cc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWZBDDJKXPWOBS-KOVFCNMLSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)NCCCO/N=C1C(=C2/C(=O)Nc3cc(Cl)c(Cl)cc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZMJLCDNOSLPDN-KOVFCNMLSA-N", "SMILES:O=C(CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1)NCCCO/N=C1C(=C2/C(=O)Nc3cc(Br)c(Br)cc32)/Nc2ccccc2/1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPZIQXMURKYQT-GDLZYMKVSA-N", "SMILES:CNC(=O)[C@@H](CC1CCN(C(=O)Cc2ccc3[nH]c(=O)cc(C)c3c2)CC1)NC(=O)c1ccc(-c2ccccc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHKSWNQMNVDRNQ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(N)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHXPYIBOQQULGO-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC(C)=O)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWAOKJXRYBDGOH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJGMBGXXQMKOLG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NCc3ccc(N(C)C)cc3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LELFJXCKCAHVNK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NCC3(C)COC3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMNBLZPOSPBHS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NCc3ccc(F)cc3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCXGTBTWPLARED-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CNC3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXIHYKTXPXCING-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CN(C)C3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORGVUSRKHDNMA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CN(C(=O)OC(C)(C)C)C3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMDIAVGVMGJGJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CN(S(C)(=O)=O)C3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSIYLQSFWKMCOX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CN(S(=O)(=O)CC)C3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEKANAXPDHLSHF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CN(C(C)=O)C3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJMSMIEMANZKC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CN(C(=O)N4CCN(C)CC4)C3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQZSSHYSGPXJLE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CN(C(=O)C4CCN(C)CC4)C3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYCQCPMFVPDYKE-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CN(C(=O)CN4CCN(C)CC4)C3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBZGKECCBYGEHP-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CN(C(=O)CN4CCOCC4)C3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBQALLQJSSEOL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CNC3)c(=O)n(C)c2)cc2c1ccn2C(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZFKMGUQAXSNPJ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CN(C(=O)OC(C)(C)C)C3)c(=O)n(C)c2)cc2c1ccn2C(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDWRDUFEWMSPGQ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CCNCC3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJGROLHCHUSHQK-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CCN(C)CC3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXHXZXXHPTGFC-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFOKXJOBQKIDOG-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCXDNBPJOWXIOZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CCN(S(=O)(=O)CC)CC3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYDRXCRHZXCROL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1cc(-c2cc(NC3CCN(C(=O)C4CC4)CC3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPWOCQJTUYDKD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccn(C(C)(c4ccccn4)c4ccccn4)c3c2)cc(NC2CCNCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBBQJSPOHOGYHW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3ccn(C(C)(c4ccccn4)c4ccccn4)c3n2)cc(NC2CCNCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPHDFABOUWVUBL-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC(Oc2nn(C(C)(C)C)c3ncnc(N)c23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHRWSMCSBMPWJA-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1c(N2CCOCC2)c2ccccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJIAESHGNVMCMH-UHFFFAOYSA-N", "SMILES:CCCCCNc1c(N(CC)CC)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQUAKXMXQATBMD-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(NC3CCCCC3)c(N3CCN(C)CC3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMGORWRMSHIAP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(NC(C)(C)C)c(N3CCN(C)CC3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHOJQTZMHYGNLL-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2c(NCc3ccccc3)c(N3CCN(C)CC3)c3cc4ccccc4cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWMFUQHITVKKS-UHFFFAOYSA-N", "SMILES:CCCCCNc1c(N2CCOCC2)c2ccccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1704728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWBBFDGOQJQXFK-UHFFFAOYSA-N", "SMILES:CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBVAKGONKYJGM-UHFFFAOYSA-N", "SMILES:CCCCCn1c(SCCc2ccccc2)nc2[nH]c(=O)[nH]c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1732337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMUZQPIUADMFQB-UHFFFAOYSA-N", "SMILES:CC1Cc2cc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2N1C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHARFYAEMYDYDK-UHFFFAOYSA-N", "SMILES:CCCCOC(=O)CC1c2ccccc2S(=O)(=O)N1C(=O)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOATJUIIFWTKQ-UHFFFAOYSA-N", "SMILES:CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4169828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPTLAOOZWOLYLB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4cccnc4)ccc3ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4167508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTCHIIHPKHSHRH-UHFFFAOYSA-N", "SMILES:COCc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCRNISASIWDQI-SFHVURJKSA-N", "SMILES:COCc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2CCCOC2)c(=O)n4C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYDIGDKYJNRBZ-RTBURBONSA-N", "SMILES:COCc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CC[C@@H](OC)C2)c(=O)n4C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYYKNMAYZDJNLK-JOCHJYFZSA-N", "SMILES:COCc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCOCC2(C)C)c(=O)n4C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLHJRAKHDORRSU-UJKQEGAGSA-N", "SMILES:COCc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2C[C@@H](CO)C2)c(=O)n4C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUDXKKXSLZWRSR-UHFFFAOYSA-N", "SMILES:COCc1ccc(-c2ccc3ncc4c(c3c2)n(C(C)C)c(=O)n4C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKORAFZQPJNRPN-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3cc(F)c(-c4ccc(N5CCC(N(C)C)CC5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHJLJSPDADNGQ-LJQANCHMSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(N5CC[C@@H](N(C)C)C5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMHJLJSPDADNGQ-IBGZPJMESA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(N5CC[C@H](N(C)C)C5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITWADMRHLMYPO-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(N5CC(N(C)C)C5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTOXULKPIRGSY-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3cc(F)c(-c4ccc(N5CCN(C)CC5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVCNQZSRGAACAU-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(N5CC6(CN(C)C6)C5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXGXXWSERXGHGA-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCN(C)C)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIIVTVXIMYATOQ-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCCN(C)C)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJGVVHLQSBDKMS-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3cc(F)c(-c4ccc(OCCCN(C)C)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPEBBRSWFSOLFL-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCN5CCCCC5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNUBCNJJLRASQF-SFHVURJKSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(O[C@H]5CCN(C)C5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEPANJSYMYNBM-QGZVFWFLSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OC[C@@H]5CCN(C)C5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLPVOXIJSJCXCX-FQEVSTJZSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCN5CC[C@H](F)C5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKOHIWSFXOZYFM-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCN5CCC(F)CC5)nc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHPSNGOGYDRWMF-UHFFFAOYSA-N", "SMILES:CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCN(C)C)cc4)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXNJMCSVGEQDI-YHBQERECSA-N", "SMILES:CO[C@H]1C[C@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(OCCCN6CCCCC6)nc5)cc4c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGQMAWSKLQFDG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN5CCCCC5)cc4)ccc3ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VICUFCKPAORKNQ-GMAHTHKFSA-N", "SMILES:CO[C@H]1CC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(OCCCN(C)C)cc5)cc4c32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTRDVDPMSLYSE-OAQYLSRUSA-N", "SMILES:CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCCOC2)c(=O)n4C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRUXQNNPEVMXJL-GHAYHXEXSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSBNQKTXUSEBS-IAPHJPDBSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLCGIYWIRFCVGF-CSBSLDSDSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNENTYQTKREARC-FOKIKUJMSA-N", "SMILES:CCOc1cccc2c1OC(C)(C)C(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCONFUNPEQDYJW-YGGFKSLTSA-N", "SMILES:COc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQCFSUXCCRFCCI-ZXWNTURISA-N", "SMILES:O=C1C[C@H]2CC[C@H](CC2)NC(=O)COc2c(Cl)cccc2COc2ccc(cc2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](c2ccccc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWHQEYHMJAWWQJ-IAPHJPDBSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENQGNQYVASLFK-CSBSLDSDSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJQSPCCIOQRBKC-FOKIKUJMSA-N", "SMILES:CCOc1cccc2c1OC(C)(C)C(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVIHPAWWWBKRL-YBMYFKBJSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYNIOFXOBFPBD-NHVRJKPPSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPKSGGUKNJGCBN-ZFIVKTHJSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)C[C@H]2CC[C@H](CC2)NC(=O)COc2c(Cl)cccc2COc2ccc(cc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXUAFHZWCQNEIG-KXUDUSGWSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFYOJNKCLJVFNG-CRMALEEUSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTWFJWFROMSCO-IAPHJPDBSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCQLDLQFOFYGQX-CRMALEEUSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRQVEFQYHVRLBS-INASBEMZSA-N", "SMILES:CCOc1cccc2c1OC(C)(C)C(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLCGIYWIRFCVGF-DXRJIXAESA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXAULHSQBVFYSK-LLKMYNTFSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@](C)(c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEJQDYOAOLOULF-YGGFKSLTSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1cccnc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYWEZWOEPWJJF-HHRDXHJLSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccnc(OC)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOMLCHNINUASLN-FZLNFISESA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHPGCWWFBDMRK-YRTWRTRWSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVVTYRJFCHWOPA-SJADDYIKSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APNQKOFGOLCIDS-SRXFEUEISA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CCSC)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQZPCZAUBKRWOV-SRXFEUEISA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMFQCTAUBIVFQC-BALMQKECSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H]([C@@H](C)OC)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSUVVUPDEUVYNG-GKDUHMJRSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)CCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNZGENNCNXHITL-GKDUHMJRSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYSXANCLXXJHIP-ICARAASJSA-N", "SMILES:CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N(Cc1ccccc1)CC(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFUSRZDHTPGDHJ-VEQVWLJISA-N", "SMILES:CCOc1cc(-c2cc(C)cc(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMKKRPPJASCQNX-PSDQKFAYSA-N", "SMILES:CCOc1cc(-c2ccc(F)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMHUXUVGENHUHO-SRADVUHCSA-N", "SMILES:CCOc1cc(-c2ccc(F)c(OC)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZMIXTCBJGUDOM-GQETYZGMSA-N", "SMILES:CCOc1cc(-c2ccc(C(F)(F)F)cc2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBQQKLBXMUFUJM-SMOXYRLYSA-N", "SMILES:CCOc1cc(C#Cc2cc(C)cc(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJRPSAXGTTYFPA-RMPNQDCFSA-N", "SMILES:CCOc1cc(C#Cc2cc(F)cc(F)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZSFFZMIBYKBKY-VEQVWLJISA-N", "SMILES:CCOc1cc(C#Cc2cccc(F)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYNIHYSWSRERC-CYANAVLGSA-N", "SMILES:CCOc1cc(C#Cc2ccc(C(C)(C)C)cc2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVOGKGKMWEWDC-ILOCNQKGSA-N", "SMILES:CCOc1cc(C#Cc2ccc(OC)cc2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITAHXDJEASWQFN-QFUKOUJRSA-N", "SMILES:CCOc1cc(Oc2cc(C)cc(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOXPBVKQROPFN-FGANQZDLSA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNUUMXWMNNVTTF-XQVMJOFOSA-N", "SMILES:CCOc1cc(Oc2cccc(C(F)(F)F)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIAKYMXGZPTJSN-XQVMJOFOSA-N", "SMILES:CCOc1cc(Oc2cccc(Cl)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIPKZZGGXICIF-NRYDKYLWSA-N", "SMILES:CCOc1cc(Oc2cccc3ccccc23)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWXZDVQUYQHKY-MKNDXRCBSA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1cccnc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSLECRNQPDSGI-MKNDXRCBSA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJZJRZKVPYXWPJ-ZGRVXRSESA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H]([C@@H](C)OC)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHRPNPCPKIDBA-KTLIKIDUSA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCXFWXIYSBGOT-KLHMYWRDSA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTJUHDDTAPNFKM-OZHYSGBWSA-N", "SMILES:CCOc1cc(Oc2cc(C)cc(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGUVMRWUPZUXON-QTKJQINCSA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVWNRZYOPLYFU-JQNLNUEYSA-N", "SMILES:CCOc1cc(Oc2cc(C)cc(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJAYWUNPQDWTHM-SDJYVDRUSA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDCODGTBKQLHJ-BOLQKCNBSA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDDCODGTBKQLHJ-RNMLNHEXSA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](C(=O)O)Cc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNGZGRSHRXBFN-HPJDZSGNSA-N", "SMILES:CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQXXSQDCDRQNQE-MJXNMMHHSA-N", "SMILES:COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H]1O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5570122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYYVYLMBEZUESM-FVEFGIFQSA-N", "SMILES:COc1ccc2c3c1O[C@@H]1C(=O)C=C[C@@H]4[C@H](C2)N(C)CC[C@@]314"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5583715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCRAERBSFHMPL-LIRZEXBASA-N", "SMILES:COc1ccc2c3c1O[C@@H]1C(=O)C=C[C@]4(O)[C@H](C2)N(C)CC[C@@]314"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5542409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNHLTBRAFJQER-DXEWXGHRSA-N", "SMILES:CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)C=C[C@]3(O)[C@@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCNKQCJZOAFTQ-DXEWXGHRSA-N", "SMILES:CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@]3(O)[C@@H]1C5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5573745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDXDRMDKYRDQQZ-OBZTUIKSSA-N", "SMILES:COc1ccc2c3c1O[C@@H]1C(=O)CC[C@]4(OC(C)=O)[C@H](C2)N(C#N)CC[C@@]314"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3577577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQCKKXVULJGBQN-OBZTUIKSSA-N", "SMILES:O=C1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H]1O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5564597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZOZVWRQJUBBH-VXFROBSSSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1OCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPGWKNITNYHIGX-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C(=O)CN2CCN(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJSLNCQHRATHFV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(Nc3cnn(C4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c3)ncc2F)ccc1CNC(=O)c1cn(C(C)(C)C)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCEDMLHJEOQQBB-UHFFFAOYSA-N", "SMILES:Cc1cnc(Nc2ccc(NS(C)(=O)=O)cc2)nc1-c1cnn(C(CC#N)C2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLZKCCYFHBISQS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cnn(C4CCCCC4)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMCUBSCEQXEGSP-UHFFFAOYSA-N", "SMILES:CN1CCC(n2cc(-c3nc(NC4CCN(S(C)(=O)=O)CC4)ncc3C(F)(F)F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIINVKDUAJXWIM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cnn(-c4ccccc4F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVJVTAVMDZGBU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cnn(-c4ccccc4Cl)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZORUMGHLMKWRPP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cnn(CC(F)(F)F)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSGRHPFFOUUFPR-UHFFFAOYSA-N", "SMILES:CC(C)(O)Cn1cc(-c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AILLCBRMQPBNQN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cnn(-c4ccc(C#N)cc4Cl)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVBIPSQSSTTCJ-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-n2cc(-c3nc(NC4CCN(S(C)(=O)=O)CC4)ncc3C(F)(F)F)cn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEXRPQBMDQPDE-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-n2cc(-c3nc(NC4CCN(S(C)(=O)=O)CC4)ncc3C#N)cn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLPHGXRRNXSNB-UHFFFAOYSA-N", "SMILES:Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(-c4cnn(CC(F)(F)F)c4)n3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZVTFLLGJNTRE-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(-c4cnn(CC(F)(F)F)c4)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNKCTKLWHVLHI-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(-c4cnn(CC(F)(F)F)c4)n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMCFRAIIGMZRN-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NC2CCN(S(=O)(=O)c3ccccn3)CC2)nc1-c1cnn(CC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBKVAJZYRVZSW-UHFFFAOYSA-N", "SMILES:CC(C)(O)Cn1cc(-c2nc(NC3CCN(S(=O)(=O)C4CC4)CC3)ncc2C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTPTLANFCGFPU-UHFFFAOYSA-N", "SMILES:CC(C)(O)Cn1cc(-c2nc(NC3CCN(S(=O)(=O)C4CC4)CC3)ncc2C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQDOTISUCBWIM-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL608266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOAQCUJVRKPEEO-UHFFFAOYSA-N", "SMILES:O=C(CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL591786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCKCJDAVGXMFLJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQCFMZWVKQBAP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZPPSSAXDJUUBM-UHFFFAOYSA-N", "SMILES:O=C(NCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSMXVSGJIDFLKP-UHFFFAOYSA-N", "SMILES:CC(ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPCAFNOFNBTME-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIQCUCOOQXULI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCHUTJIKFDMAK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)OCO2)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRXKXBCMWOHPN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPUTOXEYYFGNI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJHMJWWOFIPPE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMCXIVORNDUGU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCBXYMNZNDRXIH-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(Cl)cc1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLEBJHVCEBWWTM-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZTDSIBZHZMTRI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2398678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HERLZBNILRVHQN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5565434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVZQEKGTRBMVFB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)Cc2cc(Cl)ccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQUHOOHHWOGAFU-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGEXESYTVPFOBT-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCCC(C(=O)NCc3ccc(Cl)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDOCVQVTYDVVMY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCCC(C(=O)NCc3ccc(Cl)cc3Cl)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRPPXLFWAARXMO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCCC(C(=O)NCc3ccc(Cl)c(Cl)c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIBRFPSPJILOHL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CNC(=O)C2CCCN(Cc3cccc(C#N)c3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEFGEJQIPIBWFS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCCC(C(=O)NCc3ccc4ccccc4c3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXHGJACTJSITM-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCCC(C(=O)NCc3ccc4c(c3)OCO4)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDXXHJJOHRTPKR-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCCC(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNXBQROZCDXSR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C1=CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQYNYUWLNWZBBI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC=C(C(=O)Nc3ccc(Cl)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPHWDYKUAMUSD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)C1=CCCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZJAEFPDISWLSE-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)C1=CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFISMZGRGBWALP-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCC=C(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYRSVYAQGQNZKJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)C1=CCCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBVSZMIYWYIZOV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)C1=CCCN(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXZCLGLVUGPNRK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)C1=CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWNIZOBZRNIQNO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)C1=CCCN(Cc2cccc(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYLYIHCCPXWAK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)C1=CCCN(Cc2ccc(F)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL258893", "category": ["biolink:ChemicalEntity"], "name": "CHELERYTHRINE CHLORIDE", "xref": ["InChIKey:WEEFNMFMNMASJY-UHFFFAOYSA-M", "SMILES:COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC.[Cl-]"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5575814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFOEDJULWOZIV-XOJVSUSESA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOVFBFHFHKKJQ-LAPVVZJTSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=O)CCNC(=N)N)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWXKXAJVJPQOI-IOUMIPPLSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=O)[C@@H](N)CCCN)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPJAKAHREXIEPH-WRZPEWOESA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=O)[C@@H](N)CCC(=O)O)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDBFFTYMERRCIX-PWDPXLITSA-N", "SMILES:CCCCCC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)N[C@H](C(N)=O)CCCCNC(=O)C[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDWSQPLBXOLBE-WEROJUEWSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=O)CC3CCCCC3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFAHIOAXVOKBCK-WEROJUEWSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=O)Cc3ccccc3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIWJBUBBVDFSOS-OMVKVPQQSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](n3cc(C(C)(C)N)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTEJZABLGYDSAQ-SQASVEABSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](n3cc(CCN)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNVXASMBDVOKKN-SQASVEABSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](n3cc(CCNC(=N)N)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXJJBQWOZVLBPK-SQASVEABSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](n3cc(CCC(=O)O)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASZHCTOSSULQLD-XGMJYKOASA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](n3cc(C4CCCCC4)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKGLIQPAOWFWIE-XGMJYKOASA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](n3cc(-c4ccccc4)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOCBNUUFEBTEOP-YGCLZACXSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](n3cc(-c4ccccn4)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBQIAPVXQDUVTH-DRJZQVMBSA-N", "SMILES:CCCCCCc1cn([C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc5ccccc5c4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)NCC(=O)N[C@H](C(N)=O)CCCCNC(=O)C[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N3C2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLOVFBFHFHKKJQ-ZUENRTTQSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](NC(=O)CCNC(=N)N)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVJOUMPGCMIDQ-CUFGKRLASA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIWJBUBBVDFSOS-IEOYPHPUSA-N", "SMILES:CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](n3cc(C(C)(C)N)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNVXASMBDVOKKN-NEMSNPLBSA-N", "SMILES:CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](n3cc(CCNC(=N)N)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPFZSXDUVZTNAQ-DCSPQAIFSA-N", "SMILES:CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](n3cc(CCCNC(=N)N)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOCBNUUFEBTEOP-FFRGYVARSA-N", "SMILES:CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](n3cc(-c4ccccn4)nn3)CN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALUGMAFCICEWDO-QPBVPUHFSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRYSEKKAUQGGO-QPBVPUHFSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXULIILOQCKTQ-NDWCYBODSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQVXEFRAIHLCM-QPBVPUHFSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWUFZBBTPNPUEY-NDWCYBODSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIAMBWWCWFAJW-FRUOZZIISA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=N)N(CCC)CCC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWVHAZIIKXCXDT-BKFCSZODSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=N)NCCC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZYKYQHQEWLRAS-LDBQJEKASA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=N)NCCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKGYQUQHVGIHMG-LDBQJEKASA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=N)NCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJWKJVHBTUFST-OIMZOVSKSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=N)NCc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIRCBLJLBAPRI-BKFCSZODSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVBXAWBCYIDNS-KFVILGJFSA-N", "SMILES:CC(=O)N[C@H](CCCN)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAEZCMHLDJIEPF-KFVILGJFSA-N", "SMILES:CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJNHQJDBCXQSDX-COIWWCHRSA-N", "SMILES:CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVEVKPPEZIUDRK-UHFFFAOYSA-N", "SMILES:CC(C)(C)NCC(O)c1ccc(O)c2c1OCC(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEMITIHRKSQOEN-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNC3CCCCC3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNDXRCBXCPWNDW-UHFFFAOYSA-N", "SMILES:CCCCNCC(O)c1ccc(O)c2c1OCC(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRONVWARBGFTJW-UHFFFAOYSA-N", "SMILES:CC(C)NCC(O)c1ccc(O)c2c1OCC(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWXBVIXAWDBXOM-UHFFFAOYSA-N", "SMILES:CCCNCC(O)c1ccc(O)c2c1OCC(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQIFURKWOQHHX-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNC3CC3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STQGRCCMOQNQMN-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNC3CCCC3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXWEQUTMWOBEZ-UHFFFAOYSA-N", "SMILES:CCCCCCNCC(O)c1ccc(O)c2c1OCC(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGDCURCMXXAQPA-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCc3ccccc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYZIXXOJWIOSOR-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3ccccc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJFWJMSIIABBU-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCOc3ccccc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWZKWGUQVYQAJ-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABJCLTVEKQZPAA-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCC(c3ccccc3)c3ccccc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYBOLWAXDJGYCI-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCc3ccccc3F)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDXFHUVAMTVKNL-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCc3cccc(F)c3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSLGZIGLDAXIK-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCc3ccc(F)cc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGWKCDJLDBTAPQ-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNPRTQGKHSNXDR-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNCC(O)c2ccc(O)c3c2OCC(=O)N3)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCCLUPXFWJNMMG-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNCC(O)c1ccc(O)c2c1OCC(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIPXCANUYQSFS-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWCYYJOMRRUBHU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCNCC(O)c1ccc(O)c2c1OCC(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZVFHJMYUVJSS-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCc3ccc(Cl)cc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOOQYMGIHJWCEB-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCc3cccc(Cl)c3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEADBKGQLPWHSH-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCc3ccccc3Cl)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWKSWUYGFKFDK-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWNYQYBKHDVIOB-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSXBNGCONRCKRJ-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3ccccc3F)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFWCHOGFGPGDNW-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABFUHKYWWRZWNQ-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3ccc(C(F)(F)F)cc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBFQTMYJFAKQR-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNGCYOWBLBCEU-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLDANYBDZAIFU-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYAMEWZGQYOAIM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCCNCC(O)c1ccc(O)c2c1OCC(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEMIRVAPJSTGQS-UHFFFAOYSA-N", "SMILES:COc1ccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJWYOSALZKUIHH-UHFFFAOYSA-N", "SMILES:COc1cccc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUYIIQGWCIMJHL-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCCNCC(O)c1ccc(O)c2c1OCC(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDVGEFZIFPUTBZ-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3ccc(O)cc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLWNCDMYGRVGNL-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBLYIRRISCNUCW-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3ccccc3O)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRAHTXRIDLUEJY-UHFFFAOYSA-N", "SMILES:Cl.O=C1COc2c(C(O)CNCCCc3ccc(Cl)cc3)ccc(O)c2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLXAMNWJJROOH-UHFFFAOYSA-N", "SMILES:COc1cc(CCCNCC(O)c2ccc(O)c3c2OCC(=O)N3)cc(OC)c1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQWGPDLFPHTPN-INIZCTEOSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3ccccc3)n2)(C2CC2)N1"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 7", "xref": ["CHEMBL.TARGET:CHEMBL5724789"], "id": "UniProtKB:Q9UKP4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5092149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUWCKVSYKXBKM-INIZCTEOSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3ccc(Cl)cc3)n2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5073508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXZXXMAKXAFIDV-INIZCTEOSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3ccccc3F)n2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISBGRIYURXSYTK-INIZCTEOSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3cccc(F)c3)n2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZIAJEZQIYKIOB-INIZCTEOSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3ccc(F)cc3)n2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJVAOUGIYQTPAO-INIZCTEOSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3cccc(Cl)c3)n2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIZNDGFUOWQDNP-KRWDZBQOSA-N", "SMILES:Cc1ccc(-n2ncc(C(=O)NC[C@@]3(C4CC4)NC(=O)NC3=O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5086082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWUXCMKVCVUKMM-HNNXBMFYSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3ccc(F)cn3)n2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIHIGASQAWVZFS-ZDUSSCGKSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3cnsc3)n2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOCSJKOWWFYXSY-AWEZNQCLSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(Cc3nccs3)n2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFSMNPGTTHAVFU-HNNXBMFYSA-N", "SMILES:Cc1nc(Cn2ncc(C(=O)NC[C@@]3(C4CC4)NC(=O)NC3=O)n2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSHIGUBGBPHCZ-HNNXBMFYSA-N", "SMILES:Cn1cc(Cn2ncc(C(=O)NC[C@@]3(C4CC4)NC(=O)NC3=O)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIQYRBHOIZALY-KRWDZBQOSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3ccccc3)c2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUWYFLCJKBWDH-SFHVURJKSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2cnn(Cc3ccc(Cl)cc3)c2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOSFFBDNPUUZQC-NRFANRHFSA-N", "SMILES:Cc1ccc(-c2ccc(C(=O)NC[C@@]3(C4CC4)NC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXHVECIJQZUEQV-NRFANRHFSA-N", "SMILES:Cc1ccc(-c2cccc(C(=O)NC[C@@]3(C4CC4)NC(=O)NC3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZKQKYQWYBLARM-FQEVSTJZSA-N", "SMILES:O=C1NC(=O)[C@](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)(C2CC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJPYRXGHOBQTCR-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)(c2cscn2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSIZMQAMBDOPI-UHFFFAOYSA-N", "SMILES:Cc1scnc1C1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCJDXZMNDQMAD-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)(c2ncsc2C(F)(F)F)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCRPNNHPSWRNKE-UHFFFAOYSA-N", "SMILES:Cc1nc(C2(CNC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEVWJYMTYZZIKR-UHFFFAOYSA-N", "SMILES:Cn1ccnc1C1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGSWGPGERKJTR-UHFFFAOYSA-N", "SMILES:CCn1nccc1C1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQZXCBPLZVSVID-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)(c2ccnn2CC(F)(F)F)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCFMNQMUKYKJQT-UHFFFAOYSA-N", "SMILES:Cc1c(C2(CNC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)cnn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJZGBKRYDRYPTO-NRFANRHFSA-N", "SMILES:Cn1nccc1[C@]1(CNC(=O)c2cccc(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUNSQTFKUUXCCS-NRFANRHFSA-N", "SMILES:Cn1nccc1[C@]1(CNC(=O)c2ccc(F)cc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJAAHLZAYRISA-NRFANRHFSA-N", "SMILES:Cn1nccc1[C@]1(CNC(=O)c2cc(F)ccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDXNWPWRMDJFJ-NRFANRHFSA-N", "SMILES:Cn1nccc1[C@]1(CNC(=O)c2c(F)cccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBCDVEIOLZFAEW-NRFANRHFSA-N", "SMILES:Cn1nccc1[C@]1(CNC(=O)c2cccc(Cl)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJLXLTWJKUDRK-QFIPXVFZSA-N", "SMILES:COc1cccc(C(=O)NC[C@@]2(c3ccnn3C)NC(=O)NC2=O)c1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNSSFISHHGHAY-NRFANRHFSA-N", "SMILES:Cn1nccc1[C@]1(CNC(=O)c2ccc(Cl)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRUOSUETPHYEU-NRFANRHFSA-N", "SMILES:Cn1nccc1[C@]1(CNC(=O)c2ccc(C(F)(F)F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMMJMRCVQTVNSU-UHFFFAOYSA-N", "SMILES:Cc1sc(-c2ccccc2)nc1C1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRGHOYBVMSJEQU-UHFFFAOYSA-N", "SMILES:Cc1sc(-c2cccnc2)nc1C1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUIJZQVVVUENE-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2ccccc2)nc1C1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVQGWALVWVCQT-NRFANRHFSA-N", "SMILES:Cn1nccc1[C@]1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPQXZOJIUVOCAL-NRFANRHFSA-N", "SMILES:Cn1nccc1[C@]1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 7", "xref": ["CHEMBL.TARGET:CHEMBL5724594"], "id": "UniProtKB:Q68SA9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 7", "xref": ["CHEMBL.TARGET:CHEMBL5724593"], "id": "UniProtKB:Q1EHB3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIGRNMUZDKDUAK-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3cc(-c4cnn(C)c4)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGIQCFVMFHMCRW-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3cc(-c4ccnn4C)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIIQEYPCBIHDGU-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3cc(-c4cccs4)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRZZSKIPVUUZFG-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3cc(-c4cnc(C)s4)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYACOCXWYHINFX-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3cc(-c4cccnc4)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXWSBVYRVLJLNQ-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3cc(-c4ccccc4OC)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNDIZVSRTQUFGU-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C)c3cc(-c4c(F)cccc4OC)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDDCVIIBSNLIGT-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(Br)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBODQOFOJONMBA-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCOCC4)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGBCZWNFGWQHB-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUPQFGFBQUCTG-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJBVCBBLZYLWCN-OAHLLOKOSA-N", "SMILES:COc1cc(CN2CCN(C)CC2=O)c(C=O)nc1NC(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYKCIPZBLJZTEX-MRXNPFEDSA-N", "SMILES:COc1cc(CN2CCN(C)CC2)c(C=O)nc1NC(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDOPHMICGQTUMF-QGZVFWFLSA-N", "SMILES:COc1cc(CN2CCCN(C)CC2)c(C=O)nc1NC(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJXUQKFTPIRDZ-CQSZACIVSA-N", "SMILES:COc1cc(CN2CCOCC2=O)c(C=O)nc1NC(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRJNTERWYBLSOU-CQSZACIVSA-N", "SMILES:COc1cc(CN2CCCOC2=O)c(C=O)nc1NC(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITDOULYBWEPMG-SNVBAGLBSA-N", "SMILES:COc1cc(Br)c(C=O)nc1NC(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWFQDKAAOQIMJ-LLVKDONJSA-N", "SMILES:COc1cc(Br)c(C=O)nc1N(C)C(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHSZOOOBJFZLJV-LLVKDONJSA-N", "SMILES:CCOc1cc(Br)c(C=O)nc1NC(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJADPVKUJFOIRY-OAHLLOKOSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)Nc2nc(C=O)c(Br)cc2OCc2ccccc2)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVHCVIMVKRZDS-LLVKDONJSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)Nc2nc(C=O)c(Br)cc2OCCO)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSKZHEOMBCBOLK-GFCCVEGCSA-N", "SMILES:COCCOc1cc(Br)c(C=O)nc1NC(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXGGTUWEEAZYST-OAHLLOKOSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)Nc2nc(C=O)c(Br)cc2OCCN2CCOCC2)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOMMDBKWSZVMG-MRXNPFEDSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)Nc2nc(C=O)c(Br)cc2OCCN2CCN(C)CC2)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEFSLXKVONEDJJ-HXUWFJFHSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)Nc2nc(C=O)c(CN3CCN(C)CC3=O)cc2OCCN2CCOCC2)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGSJBFKWDFHRW-LJQANCHMSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)Nc2nc(C=O)c(CN3CCCOC3=O)cc2OCCN2CCOCC2)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMBZDSFRRBRSJL-HXUWFJFHSA-N", "SMILES:C[C@@H](Oc1cc(NC(=O)Nc2nc(C=O)c(CN3CCCCOC3=O)cc2OCCN2CCOCC2)ncc1C#N)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNTRFAOWFMJMKN-UHFFFAOYSA-N", "SMILES:COCCNc1cc(NC(=O)Nc2nc(C=O)c(CN3CCN(C)CC3=O)cc2OC)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFQBHSRLPSKKI-UHFFFAOYSA-N", "SMILES:COCCOc1cc(NC(=O)Nc2nc(C=O)c(CN3CCN(C)CC3=O)cc2OC)ncc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWVXDDTUKDRUJQ-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCN(C)CC2=O)c(C=O)nc1NC(=O)Nc1cc(OC(C)C)c(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZQVAVCVMDJMFN-GAQUOPITSA-N", "SMILES:Br.Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3ccc(CN4CC[C@@H](C(=O)O)C4)c(C#N)c3o2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAHBFTAUXKIAHZ-UHFFFAOYSA-N", "SMILES:O=C(O)CN1CCc2nc(OCc3cccc(-c4ccccc4F)c3Cl)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIOBZYOOQRDDS-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CCN(C(=O)CCC(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCASEROVOXTIGX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWTBTCHVYZBQBA-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)Cc1ccccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAEPTKMYBNDXSU-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPKCKMVUACEJCR-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGLTMBZWRYEQK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Nc2ccccc2C(C)(C)C)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHBLJEYDBKTBEI-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)Nc1c(C(C)C)cccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHWPQAQNVWDRQ-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1NC(=O)Nc1c(C(C)C)cccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRKMNXUCVFXZPR-UHFFFAOYSA-N", "SMILES:COc1cc(Br)ccc1NC(=O)Nc1c(C(C)C)cccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFWIUENHOXWQHB-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)Nc1c(C(C)C)cccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKRWFKPGGCZTBG-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)Cc1c(C(C)C)cccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLJUQIIHVWLQFP-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1NC(=O)Cc1c(C(C)C)cccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMSWKSXNNAAATR-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1NC(=O)Cc1ccccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUNUYANTULZRZ-OAHLLOKOSA-N", "SMILES:COc1cc(C)ccc1NC(=O)[C@H](C)c1ccccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUNUYANTULZRZ-HNNXBMFYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)[C@@H](C)c1ccccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTNFUJOPQFDICR-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C(C)(C)c1ccccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRYYQOPUXJBSBY-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKYQVNXWIHYSQJ-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMHUFOMVUQWBL-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQMBKLJXLHFAPE-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXUVZPATJAPAEV-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUJRAPFNMIKFSP-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLLMWUHODFBDP-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZGGEBLZXAJFQF-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CCN(CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRUJQFKCVJHUNF-FQEVSTJZSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CCN(C[C@H](O)CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJKPHBARRLKVIF-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CCN(C(=O)CO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUFCBCHXGMTGG-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)Nc1ccccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRBBNIZACSLABR-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ccc1NC(=O)Nc1ccccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSHJWASAFPBBNW-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CN(C(=O)CCC(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGZYEMZDHPFOM-UHFFFAOYSA-N", "SMILES:COc1nc(C)ccc1NC(=O)C1(c2ccccc2C(C)C)CNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRBIOAKICQOPBD-UHFFFAOYSA-N", "SMILES:COc1cc(C)ncc1NC(=O)C1(c2ccccc2C(C)C)CNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPSBJDJNQIVNIK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CNC2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZELZMZDZQZKANU-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC(=O)C2(c3ccccc3C(C)C)CNC2)c(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXBXRWDKQKPIL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccncc3C(C)C)CNC2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKVTQOWNNBYQE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ncccc3C(C)C)CNC2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIYBVCKSFNVOEM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBXSEJKRMCEICT-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CC(=O)O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJGRGFHZDARDCX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CCN(C(=O)CCC(=O)O)CC2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIIKWYQZJVQUOW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CCCC(=O)O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHNLQFGFTLVHOM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CC(C)(C)C(=O)O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOMTLWHUJPLJZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CC3(C(=O)O)CC3)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATLZMNIWJKIJGC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CC3(C(=O)O)CCC3)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUTFLDFUVIWDKO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CNCC(=O)O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNQCSWFBQPKWAE-KRWDZBQOSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)[C@@H](N)CC(=O)O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZBOSXMOBYAVAW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCC(=O)O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQJLECRRRPXQB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCCC(=O)O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHMHQDZHVSRILS-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCC(C)(C)C(=O)O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPPWSKVZUXDOM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCc3nnn[nH]3)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGDKPMAQFAFWJY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCCc3nnn[nH]3)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIZOQPGYVIZDH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)Cc3nnn[nH]3)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCAGOMJIKUPBPI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CCc3nnn[nH]3)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVVJBGSYNKNONU-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(Cc3noc(O)n3)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZFRMXCQTWAAL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)Cc3c[nH]nc3O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSQKDOQBGRKNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)c3n[nH]c(O)n3)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBVJFYUQCKPNML-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CN3C(=O)CNC3=O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMNFCSAPCWOOEH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CNCCO)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVAXSIFXPNUBY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCCO)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPQSCXMSKGEAU-MRXNPFEDSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C[C@@H](O)CO)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRBJBOWJTUPIJC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCN)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPKJQOIRMEYME-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCNS(C)(=O)=O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSWWTLMTEHCBQI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(CCNS(N)(=O)=O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWPGBTSVEOJNEX-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CNS(C)(=O)=O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOLVKZMIWBYCMF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CC(=O)NS(C)(=O)=O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHIZRRYUSGBFHY-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)CCS(N)(=O)=O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PECBGJGOCSRRKP-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)CCC(=O)N1CC(C(=O)Nc2ccc(C)nc2OC(F)F)(c2ccccc2C(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXRNQUBUJDLVPK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(S(N)(=O)=O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQDYKYRMZPSTEK-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)N1CC(C(=O)Nc2ccc(C)nc2OC(F)F)(c2ccccc2C(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAFVSVMCZFFOGF-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)N1CC(C(=O)Nc2ccc(C)nc2OC(F)F)(c2ccccc2C(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBUHIQQJQJEKA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ccncc3C(C)C)CN(S(N)(=O)=O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBAKAINKYSEOQF-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(c3ncccc3C(C)C)CN(S(N)(=O)=O)C2)c(OC(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCDDCBQSMGGIN-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ncc1NC(=O)C1(c2ncccc2C(C)C)CN(S(N)(=O)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHFBJBPMIVQTBG-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)ncc1NC(=O)C1(c2ccccc2C(C)C)CN(S(N)(=O)=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3632806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFKWJUILNGXIOS-UHFFFAOYSA-N", "SMILES:CC1(C)CCC2=C(O1)c1ccc(C#N)cc1C(=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDZUEQHAIFAED-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc(C(F)(F)F)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHVTYDBJMQUPR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccccc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZQUCHHVGWTPT-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc(F)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAWWFHCMDUJYQR-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc(Cl)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAFBELCKROEFK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc(Br)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLQJDBLPBVEAJX-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc([N+](=O)[O-])cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWGXECVTLVNAIC-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc(OC(F)(F)F)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYBPNAEXUYREH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc(C)cc3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOSNXURHTDMRTE-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3cccc(C(F)(F)F)c3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRRIWNSLDUDDQ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3cccc(F)c3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNPKXYIFNQXYPF-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3cccc(Cl)c3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNXQEMQZYKPTQ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc(Cl)c(Cl)c3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWBCVYLVXJIML-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccccc3Cl)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHTOWHOVYLWYEW-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc(Cl)cc3Cl)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEXGILODZYSSTO-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3cccc(Cl)c3Cl)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVFFTAGJTFWGBU-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc(F)c(F)c3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBFNOGNQWGISEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-n2c(CBr)nc3c(sc(=S)n3-c3ccc(F)cc3F)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUZGXBTIUIHQK-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(CBr)nc3c(sc(=S)n3-c3cccc(Cl)c3)c2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHPMVMIKTALBLH-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(CBr)nc3c(sc(=S)n3-c3cccc(Cl)c3)c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGEHNMAVPIFNFE-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2c(CBr)nc3c(sc(=S)n3-c3cccc(Cl)c3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWKWVUATJMPJX-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-n1c(CBr)nc2c(sc(=S)n2-c2cccc(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYVHINRLSSFJW-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1c(CBr)nc2c(sc(=S)n2-c2cccc(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRXUQSJDIYQHFQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-n1c(CBr)nc2c(sc(=S)n2-c2cccc(Cl)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKBOIMCALKJRDN-UHFFFAOYSA-N", "SMILES:O=c1c2sc(=S)n(-c3cccc(Cl)c3)c2nc(CBr)n1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGAFTFSFELNDGS-UHFFFAOYSA-N", "SMILES:O=c1c2sc(=S)n(-c3cccc(Cl)c3)c2nc(CBr)n1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEJQWNBUKMHGGO-SVEHJYQDSA-N", "SMILES:COc1cc([C@@](O)(CCN(C)C)[C@H](c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2F)cc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAVIQEKCTNGTAR-HOMAGXEVSA-N", "SMILES:CC(F)(F)CC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBMWPTXMJVFLFJ-IRFCIJBXSA-N", "SMILES:CNC(=O)N[C@H](C(=O)N1CC2(CCCCC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORNINZBRLIIXGA-GMAHTHKFSA-N", "SMILES:CC(F)(F)CC[C@H](NC(=O)[C@@H]1CC2(CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VACHPPDJKXPTBH-LGTSYYJHSA-N", "SMILES:CC(F)(F)CC[C@H](NC(=O)[C@@H]1CC2(CCCCC2)CN1C(=O)C(O)c1cccc(F)c1)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPPDQYCGRCZHMK-OALUTQOASA-N", "SMILES:CC(C)(C)CC(=O)N1CC2(CCCCC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHFBTGHWRUZLIN-AWCRTANDSA-N", "SMILES:CC(F)(F)CC[C@H](NC(=O)[C@@H]1CC2(CCCCC2)CN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HROGANPCJBTDFB-IRFCIJBXSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CCCCC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMQQOJDQJBWRCU-XYJFISCASA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CCCCC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(N)=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALCYYDYSILTTKJ-JENIJYKNSA-N", "SMILES:CNC(=O)C(=O)[C@H](CCC(C)(F)F)NC(=O)[C@@H]1CC2(CCCCC2)CN1C(=O)[C@@H](NC(=O)OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOAJBSPQDBHHRC-SONWIMMPSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CCCCC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NCc1ccccc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWCAPBPHSAJFD-WPFOTENUSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CCCCC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CCCCC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJAOPOAMWKKUQI-WPFOTENUSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CCCCC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NCc1ccncc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIQGVJUFSQQJRB-CMKODMSKSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CCC(F)(F)CC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCJNGJUPLOLQFH-CMKODMSKSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CCOCC2)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOLFHLCHURCHA-MOIVGNJTSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)CC2(F)F)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZXUKPUBPQPIQC-MFPFFRNPSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C21CCOCC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJZNRHTYZRSATJ-GRZALLJUSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSSDFKAUXACCMX-ORIJERBGSA-N", "SMILES:CNC(=O)C(=O)[C@H](CCC(C)(F)F)NC(=O)[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)[C@@H](NC(=O)OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVOCCYIUNITIHL-ATCHWDNASA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CCC(C)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAVWSCGJIBGBHZ-IQWQSGHPSA-N", "SMILES:CNC(=O)C(=O)[C@H](CCC(C)(F)F)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPGBNYQGHCHWMG-JAXLGGSGSA-N", "SMILES:CCCC[C@H](NC(=O)[C@@H]1CC2(CCCCC2)CN1C(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXHMSQBQKSOMCE-BBTUJRGHSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CCCCC2)C[C@H]1C(=O)N[C@@H](CCC(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXRNXZHMBBPVRF-CMKODMSKSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CCCCC2)C[C@H]1C(=O)N[C@@H](CCC(F)(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBMGEYVEVFGTE-FXNCLBFNSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1CC2(CCCCC2)C[C@H]1C(=O)N[C@@H](CC1CC1(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPGDPFECLRJBX-QLAGNHFFSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CCC(C)(C)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJDAYNLZHPBRS-HIOQMPKLSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CC[C@@H](C)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJDAYNLZHPBRS-DVHLYRJSSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CC[C@H](C)F)C(=O)C(=O)NC1CC1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOOROPGDJTVTB-OIEUEQSUSA-N", "SMILES:C[C@H]1CN(C)CC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOOROPGDJTVTB-LEVQAPRMSA-N", "SMILES:C[C@@H]1CN(C)CC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZOOROPGDJTVTB-GMWJYZTKSA-N", "SMILES:C[C@H]1CN(C)CC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKMWZJJOEMMGRF-UHFFFAOYSA-N", "SMILES:N#CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC2c3ccccc3C1c1ccccc12"]}
{"name": "BUB3-interacting and GLEBS motif-containing protein ZNF207", "xref": ["CHEMBL.TARGET:CHEMBL5724610"], "id": "UniProtKB:O43670", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZJZAWPSUBSTEJ-UHFFFAOYSA-N", "SMILES:N#CC1(C(=O)NCCC2CCN(Cc3ccccc3)CC2)CC2(Br)c3ccccc3C1c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEGCBSTVHNMLRD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1cc(=O)cc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPCORIWZFVWHFB-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1cccc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUDHHFSWFOIHC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1cc(OC)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRTJUXSROZEUJN-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1cc(O)cc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFZGFMLPLZPEK-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1cc(N)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSFDKBPHCRUNQM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCc1cc(O)cc(=O)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTPNAZBVGTYHC-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPTDBEYPRPDMEM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCc1cc(O)cc(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFNYCWVHIVEHBM-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5552972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVUPJCFUCZCML-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVYSAOILNYPWAD-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1cc(O)cc(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL13302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWUKYRBGQDBGCJ-UHFFFAOYSA-N", "SMILES:CCCCCCCc1cc(O)cc(O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSPONUOITMKTBK-UHFFFAOYSA-N", "SMILES:CCCCCCCCNc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARRVUSKACJKIGK-UHFFFAOYSA-N", "SMILES:CCCCCCCNc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVGUEPWWQHQHTP-UHFFFAOYSA-N", "SMILES:CCCCCCNc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTOAABMYZBGNI-UHFFFAOYSA-N", "SMILES:CCCCCCCCOc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMJUEVPPRBXSW-UHFFFAOYSA-N", "SMILES:CCCCCCCOc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGWRYKCDOKCVPJ-UHFFFAOYSA-N", "SMILES:CCCCCCCC#Cc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHNWVUGJUGNVKK-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCCCc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJSIELYKVIQBJ-UHFFFAOYSA-N", "SMILES:CCCC(=O)NCCCCc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGJNMJMCEFPCAS-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1cc(O)cc(=O)[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFFULFCPKWLZLW-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(CCCCCC2CCCCC2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFBVCBYKUCRPDA-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(CCCCCc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUDMUSDWYSEUAK-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(CCCCc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYQWWRYBSNBUJD-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(CCCOc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXVAPCVRKQCYKE-UHFFFAOYSA-N", "SMILES:Cc1ccc(OCCCc2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYRIQXGCUYCPLN-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(CCc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDSRBMYNCZGSPG-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CCc1cc(O)cc(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSONAOUVSSJBKH-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCc2cc(O)cc(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRPIMVRRDQJEOO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZVWAZGEOTZQIS-UHFFFAOYSA-N", "SMILES:CCc1ccc(CCc2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTNHXOPIEJQITI-UHFFFAOYSA-N", "SMILES:CCCc1ccc(CCc2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYAAOXZWIFPCK-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(CCc2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDXRTCKRVYHBKG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CCc2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWARMJYUYZKGTE-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(CCc2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXGABPOHJCMUGZ-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(CCc2cccc(-c3ccccc3)c2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJLLNHLZOBSAJ-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(CCc2ccc(-c3ccccc3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRUQZCGVIQYKRA-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(CCc2ccc3c(c2)Cc2ccccc2-3)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYWJKSPALVBQAM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CCc2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTVJRBOJHDJNCO-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(CCc2ccc(OC(F)(F)F)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZNWAXISPVFFK-UHFFFAOYSA-N", "SMILES:CCCc1ccc(CNc2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLIZCQFPCTYRN-UHFFFAOYSA-N", "SMILES:CCCc1ccc(CN(C)c2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZERSFMVZXWLAZ-UHFFFAOYSA-N", "SMILES:CCCc1ccc(COc2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJYBEHVHDJUDSM-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(-c2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGXQPGLJMDLYGF-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-c2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAGUNJMFTKAFQZ-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(-c2ccc(CCC3CC3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDISYHIXMYQTL-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2cc(O)cc(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQDSPRVQISNDK-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2ccc(-c3cc(O)cc(=O)[nH]3)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKULXLJZXFVLQT-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(-c2ccc(Oc3ccccc3)cc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDKUBICTJRDGIK-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(-c2ccc(Oc3ccccc3)nc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPLDBLQYGRIROM-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(-c2ccc(Oc3cncnc3)nc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIWKLNWYAGNLPM-UHFFFAOYSA-N", "SMILES:O=c1cc(O)cc(-c2ccc(OC3=NCCCC3)nc2)[nH]1"]}
{"name": "G-protein coupled receptor 83", "xref": ["CHEMBL.TARGET:CHEMBL6067459"], "id": "UniProtKB:P30731", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEBRBZPGXOBSX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)cc3nc(OC(F)F)cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPRMQTNRIMVCKL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc3ccccc3o2)c2ncc(OC(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROKWKFNOIGYUEP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3ccccc3s2)c2ncc(OC(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKPQGOEYPCPAV-UHFFFAOYSA-N", "SMILES:COc1cccc2oc(-c3cc(C)cc4nc(OC(F)F)cnc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZUDLUHFNNHDPL-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(-c3cc(C)cc4nc(OC(F)F)cnc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXKKYOLEQBFNIL-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(-c3cc(C)cc4nc(OC(F)F)cnc34)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OECXXQZORMTYEV-UHFFFAOYSA-N", "SMILES:COc1cccc2nc(-c3cc(C)cc4nc(OC(F)F)cnc34)sc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVSYUCSCDKUMK-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3cc(C)cc4nc(OC(F)F)cnc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNSOEOLKOLDKK-UHFFFAOYSA-N", "SMILES:COc1cccc2sc(-c3cc(C)cc4nc(OC(F)F)cnc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZOIENWBZYDBAK-UHFFFAOYSA-N", "SMILES:COc1cc(F)c2nc(-c3cc(C)cc4nc(OC(F)F)cnc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNLCAUURXYKVEP-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2nc(-c3cc(C)cc4nc(OC(F)F)cnc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXRHZYCUOGYAO-UHFFFAOYSA-N", "SMILES:COc1cc(C)c2nc(-c3cc(C)cc4nc(OC(F)F)cnc34)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRPYHBKMCADBKM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3ccc(OCCNS(=O)(=O)c4ccccc4)cc3s2)c2ncc(OC(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFZXIVKSYWUHRA-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc3c(C)cc(OCCNS(=O)(=O)c4ccccc4)cc3s2)c2ncc(OC(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLTVZNPMDYXTGF-UHFFFAOYSA-N", "SMILES:COc1cnc2c(-c3nc4c(C)cc(OCCNS(=O)(=O)c5ccccc5)cc4s3)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIKDQXVPWZXJQU-UHFFFAOYSA-N", "SMILES:COCc1cnc2c(-c3nc4c(C)cc(OCCNS(=O)(=O)c5ccccc5)cc4s3)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOVBPJECYJDGW-UHFFFAOYSA-N", "SMILES:COc1cnc2c(-c3nc4c(Cl)cc5c(c4s3)OCC(CO)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPHYOSQSJXJMN-UHFFFAOYSA-N", "SMILES:COc1cnc2c(-c3nc4c(Cl)cc5c(c4s3)OCC(COC(=O)Nc3ccccc3)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWUHKXMZOVLSC-UHFFFAOYSA-N", "SMILES:COc1cnc2c(-c3nc4c(Cl)cc5c(c4s3)OCC(COC(=O)Nc3ccc(F)cc3)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJOKVVMZXHTHT-UHFFFAOYSA-N", "SMILES:COc1cnc2c(-c3nc4c(Cl)cc5c(c4s3)OCC(COC(=O)Nc3ccc(Cl)cc3)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSBYGNDYSQKWHF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)OCC2COc3c(cc(Cl)c4nc(-c5cc(C)cc6nc(OC)cnc56)sc34)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PICVDJPHPDLTLS-UHFFFAOYSA-N", "SMILES:COc1cnc2c(-c3nc4c(Cl)cc5c(c4s3)OCC(COC(=O)Nc3cccnc3)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNKZFVATLOPJQY-UHFFFAOYSA-N", "SMILES:COc1cnc2c(-c3nc4c(Cl)cc5c(c4s3)OCC(COC(=O)Nc3ccc(F)nc3)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXWIFYGYBTDOM-UHFFFAOYSA-N", "SMILES:COc1cnc2c(-c3nc4c(Cl)cc5c(c4s3)OCC(COC(=O)Nc3ccc(Cl)nc3)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRBIJYGDCLWCQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)OCC2COc3c(cc(Cl)c4nc(-c5cc(C)cc6nc(OC)cnc56)sc34)O2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5543032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRBIJYGDCLWCQ-OAHLLOKOSA-N", "SMILES:COc1ccc(NC(=O)OC[C@H]2COc3c(cc(Cl)c4nc(-c5cc(C)cc6nc(OC)cnc56)sc34)O2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNHAHLRJOZMDQ-OAHLLOKOSA-N", "SMILES:COc1cnc2c(-c3nc4c(Cl)cc5c(c4s3)OC[C@H](COC(=O)Nc3cnc(C)nc3)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYZBDLUUNXTHZ-MRXNPFEDSA-N", "SMILES:COc1cnc2c(-c3nc4ccc5c(c4s3)OC[C@H](COC(=O)Nc3cnc(C)nc3)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAUOBBDSSHRHF-MRXNPFEDSA-N", "SMILES:COc1cnc2c(-c3nc4ccc5c(c4s3)C[C@H](COC(=O)Nc3cnc(C)nc3)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYYQMJPGDIKMA-OAHLLOKOSA-N", "SMILES:COc1cnc2c(-c3nc4cc(F)c5c(c4s3)C[C@H](COC(=O)Nc3cnc(C)nc3)O5)cc(C)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDFNITDBPSAPTN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUXRRNFGRBJRKT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4cc(Br)ccc43)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPFTGQZRNQYLX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVIJGRDNMBGEKG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4ccccc4c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSESYCFDMUQFIU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKHWFSVTVLMHB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)CCCC4=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQNKFBLXCRRQC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(NC(C)=O)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVROQXLHBVONLK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQHOGXGTJXANB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASCRBLNYOIMLOU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C#N)cc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKQVRQHQFSWLI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C(C)=O)cc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFNCHICRJAHVQP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(=O)OCC)s3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVXPUOQUHDHZHN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C(=O)NC)cc3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYPYSFMBAXFPJD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSAZAKPZTAMLTO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4cc(Br)ccc43)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPIJQMXSZYSDR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLSUSNVTPXCNQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQFXKIYNEVAMOH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(NC(C)=O)c3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMGGNIGWAHIDY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JALFBLVUFMSLBO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C#N)c3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTIYAKYLUNOIDF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C(C)=O)cc3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XURAGFCGYUVBHJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C(=O)NC)cc3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOBHNJDGPOMJLW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNTMCDHFIMSLKC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVKOCYEMHWFKK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVPOJUQNREQKB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVGWARGAVVQCEU-KESTWPANSA-N", "SMILES:COC(=O)[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUHNLFBBBSLNY-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAGMDYUZVXOXJV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSJAKPKAVWLVSV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFMJQBDQXKNXRK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGAKRLVNWBOPIK-MXVIHJGJSA-N", "SMILES:COC(=O)[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYXKFDDVUZDRN-UHFFFAOYSA-N", "SMILES:CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENUJESSXQNXCA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAKOYMOQFPLWOO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHAWYCGVNNQVQA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C(=O)N4CCCc5ccccc54)CC3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBIZFMOFQWTNC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCCc5ccccc54)CC3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANRRNUAJVIUDV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(COCc2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFFMAZPPSFYRKI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(COCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGUQSMUCCKIADD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKHVCERXDULZMJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)OCCBr)s1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWNDVRNHKRQBP-IBGZPJMESA-N", "SMILES:C[C@@H](COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)s1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOAPVMIYLMAPIH-UHFFFAOYSA-N", "SMILES:CC(C)OC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPUOBJQSWRMSL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)Oc2ccccc2)s1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUGSZYKMUNMDC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CCCCCC3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLHMZJKNLQIMK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKETXIIDIRSOMF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRVSTMNEYVUZHL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQIORRUWXIMUDL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEHSOHSDTDTWFZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCC2)s1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATUNTUQAKSOBRZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)NC2CC2)s1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLVDCLPAFROOJP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCOCC2)s1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFRPMRAGBBUDOU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVUPJPGTOOHJP-VRTGWVCMSA-N", "SMILES:O=C(Nc1ccc(C(=O)NC23C[C@H]4C[C@H](C2)C[C@@H](C3)C4)s1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMVOEGOILCIFK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)N2CCCC2)s1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOTUQMEZBTRQC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(C(=O)NC2CC2)s1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNYBDVSSYOSEY-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFXGNDCWIGEMLZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYYAXIDWBZRTRF-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBOQVAAVBDMHSV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccnn1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONDTAVTYIIWFK-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQMNKSBMZNZDOJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ccc2c1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWFNUZUVIOAHFE-UHFFFAOYSA-N", "SMILES:O=C(NCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCKTRHQEAZCIP-XCGAPMHGSA-N", "SMILES:O=C(NC12C[C@H]3C[C@H](C1)C[C@@H](C2)C3)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANFHPIUGUVBBA-UHFFFAOYSA-N", "SMILES:O=C(NC1CCOCC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIIEXLVMVFVIM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUZMUTRRJBIVOU-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIJARUYPMUCQDI-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POOIZGUYLNXCCJ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVAVFDPOMPODFU-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRTNJIJHVXQCTD-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVONPHLYBMJLQJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBIMJKJKFNSBBV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPLVBRPOOZNKHW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCc5ccccc54)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIHJABSJXJBOGR-VRTGWVCMSA-N", "SMILES:O=C(Nc1ccc(C(=O)NC23C[C@H]4C[C@H](C2)C[C@@H](C3)C4)s1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPDOAPBJDUXDW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDIPODUBKZCRNL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTLDWRQFGKUNIN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HODLFVVDCRYGDU-UHFFFAOYSA-N", "SMILES:CCc1cccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABXVJILZYNSTM-SFHVURJKSA-N", "SMILES:C[C@H]1CCCN1CCCOc1ccc(-n2cc(C(=O)N3CCOCC3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCQZCDSEWSFTPO-DLBZAZTESA-N", "SMILES:NC(=O)c1ccc([C@@H]2C[C@H]2C(=O)N2CCN(C3CCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4575319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRNMYWNBLVJWKG-GASCZTMLSA-N", "SMILES:NC(=O)c1ccc(OCCCN2C[C@H]3CCC[C@H]3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUIHDXHABRDSX-NGSHPTGOSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCCN5CCCC5)cc4CC[C@H]3[C@@H]1CCCN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNBSAYRFSTXGPS-XPGKHFPBSA-N", "SMILES:CN1CCC[C@H]2[C@@H]3CCc4cc(OCCCN5CCCC5)ccc4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKASVIZENSIFZ-XDZXDJIYSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCCN5CCCC5)cc4CC[C@H]3[C@@H]1CCCN2CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXYUDDIHBPGRDY-XPGKHFPBSA-N", "SMILES:C[C@]12CC[C@@H]3c4ccc(OCCCN5CCCC5)cc4CC[C@H]3[C@@H]1CCCN2C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPYJEKOXUQEZQM-ORCCPLEHSA-N", "SMILES:CC(=O)N1CCC[C@H]2[C@@H]3CCc4cc(OCCCN5CCC[C@H]5C)ccc4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJBQINZGPSDAOQ-RGFKXKKOSA-N", "SMILES:CCC(=O)N1CCC[C@H]2[C@@H]3CCc4cc(OCCCN5CCC[C@H]5C)ccc4[C@H]3CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOPVHRDNNHKHGD-CVCOIASMSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCCN2C(=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZINRUXJMNYQMG-XLFNBBOOSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCCN2C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBWKAHBBPZNNA-FEWHJMLNSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQLHQMUCAVYEK-ZVFDJVLSSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](C#N)CC(=O)N[C@@]3(C)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUVKCQSHXJGPOB-CXUOJKITSA-N", "SMILES:CC(=O)N[C@]12CCC(=O)N[C@@]1(C)CC[C@@H]1c3ccc(OCCCN4CCC[C@H]4C)cc3CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVGNGBFMDMZVAZ-RRKBLQRYSA-N", "SMILES:C[C@@H]1CC(=O)N[C@@]2(C)CC[C@@H]3c4ccc(OCCCN5CCC[C@H]5C)cc4CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZSFMNVRDBWHF-MUYHPRKDSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@H]1[C@@H]3[C@@H]4C[C@@H]4C(=O)N[C@@]3(C)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMZSFMNVRDBWHF-FLMLWOEHSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@H]1[C@H]3[C@@H]4C[C@@H]4C(=O)N[C@@]3(C)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBQWOIVATJNHEC-DDKMDXNESA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@H]1C3=CCC(=O)N[C@@]3(C)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBWKAHBBPZNNA-AIFQOJHVSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)NC(=O)CC[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRBWKAHBBPZNNA-MZZNYACFSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHCLHZPYPBHNEC-KYCYSIEPSA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3CCc4cc(OCCCN5CCC[C@H]5C)ccc4[C@H]3CC[C@]2(C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYAGKNWQDBBKEM-HSPBWYDRSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](C#N)CC(=O)N(C)[C@@]3(C)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUPYRLGVVZUJRR-RAHMEPJVSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@H]1[C@@H]3[C@@H]4C[C@@H]4C(=O)N(C)[C@@]3(C)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RETKLWRAQHDTTN-GKRUPDCOSA-N", "SMILES:C[C@@H]1CC(=O)N(C)[C@@]2(C)CC[C@@H]3c4ccc(OCCCN5CCC[C@H]5C)cc4CC[C@H]3[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTJSBBYASUXVPB-AUXRXHMPSA-N", "SMILES:C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(OCCCN5CCC[C@H]5C)ccc4[C@H]3CC[C@]2(C)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTXFLFYHWBKAU-OIBREABGSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTEZRLDLGQMXRU-CKLLNBRHSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@H]1C3=CCC(=O)N(C)[C@@]3(C)CC[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKTXFLFYHWBKAU-SCOHQHNHSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFYLMYPJLSAHFI-ATGCMLFRSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCCN2C(=O)C1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWWSMRIWBFZCHA-CVCOIASMSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCCN2C(=O)C1(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABDOQPQPCLTHE-XQAXFLIVSA-N", "SMILES:C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCCN2C(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTKPANLGOJZPKP-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cnc3ccccn23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKMNAKAGUZCMU-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKELFNOVIVDBLP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRKBXMDFJSWCQP-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nc(-c2cnc3ccccn23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBINOPHSXQXIE-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWEPZIYHYDEOKV-UHFFFAOYSA-N", "SMILES:Fc1ccc(F)c(Nc2nc(-c3cnc4ccccn34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZMXMLKLIZDQB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGDYQVLNNWMNNU-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITIZWMSROUGUAG-UHFFFAOYSA-N", "SMILES:Oc1ccccc1Nc1nc(-c2cnc3ccccn23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDYAIDPKLUANKJ-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cnc3ncccn23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXJSOZZGPYQHZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc(-c3cnc4ncccn34)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALINTHGVJQCIZ-UHFFFAOYSA-N", "SMILES:Brc1ccccc1Nc1nc(-c2cnc3ncccn23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYJBAIBYGZGWLS-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2nc(-c3cnc4ncccn34)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCFQXQTQIWXPO-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nc(-c2cnc3ncccn23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWGGKCJPSMQMCW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nc(-c3cnc4ncccn34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKNVYMJGYXNRRD-UHFFFAOYSA-N", "SMILES:Fc1cccc(Nc2nc(-c3cnc4ncccn34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQYCVUQNOMUIEK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(Nc2nc(-c3cnc4ncccn34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAVABTILROWHCZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(F)c(Nc2nc(-c3cnc4ncccn34)cs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJSHNZAREOQJBJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(Nc2nc(-c3cnc4ncccn34)cs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAOLTFFXIJSELI-UHFFFAOYSA-N", "SMILES:Clc1cc(Cl)c(Nc2nc(-c3cnc4ncccn34)cs2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZTMJSDZDOBEKC-UHFFFAOYSA-N", "SMILES:C=CCNc1nc(-c2cnc3ncccn23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFMFHAXQLBLMO-UHFFFAOYSA-N", "SMILES:C1=Nc2ncc(-c3csc(Nc4ccccc4)n3)n2CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAVFGLDNGUBYCD-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2cnc3ncccn23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFIAAYUAAAFOCY-UHFFFAOYSA-N", "SMILES:Oc1ccccc1Nc1nc(-c2cnc3ncccn23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJPIIBURVCQXEZ-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCc3ccccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZSXJGKZFRGUSZ-NLACPILISA-N", "SMILES:Cl.O=C1OC(CCCN2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOKHMXOBBOUJOC-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3ccccc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABNUXZUOWZKJJF-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3ccccn3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTZZEYYWDDNPHF-UHFFFAOYSA-N", "SMILES:NC(=O)c1coc2ccc(N3CCN(CCCC4OC(=O)c5ccccc54)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5208814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDHVOUMIKBJAQL-UHFFFAOYSA-N", "SMILES:CN(C)CCCC1OC(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5571265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFAINHJTSDSLFB-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YULZIIDXVGABOU-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRHJWWGORDWSH-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHGFQLMEHJQNGM-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3ccc(Br)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSYKCXXCRINLI-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3ccc(O)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRUGODGBYREXAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CCCC3OC(=O)c4ccccc43)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWOLHUSIIPGTIV-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCCC3OC(=O)c4ccccc43)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNXWGXJXXSBHOL-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCC3OC(=O)c4ccccc43)CC2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHZGLBVUGRYLI-UHFFFAOYSA-N", "SMILES:Cc1cccc(N2CCN(CCCC3OC(=O)c4ccccc43)CC2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACOGGJLCVQODGT-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPLVODAFOBXKY-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKTWOAHBSGUMKY-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(N2CCN(CCCC3OC(=O)c4ccccc43)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVLUSMXGNJDFQP-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCC2OC(=O)c3ccccc32)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWXZZBDYTRWTQE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCN(CCCC2OC(=O)c3ccccc32)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBSIAZGLULFMGH-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3ccccc3F)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFTXSQEEMSKBR-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(c3ccccc3C(F)(F)F)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIHYRMGUJFXGKV-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CCCC3OC(=O)c4ccccc43)CC2)cc1C.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOWJVGADNDQSRQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CCCC3OC(=O)c4cc(NS(C)(=O)=O)ccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRVMJUSZKFEBDP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(c1)C(=O)OC2CCCN1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPFZBHFVMWJMMJ-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(c3ccc(O)cc3)CC2)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDUNBIFQYQQDTO-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CCCC3OC(=O)c4ccc(O)cc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOVJIOMMZOYISG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(CCCC3OC(=O)c4ccccc43)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAEQIGGQCPYFIU-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(C(=O)c3ccccc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRSNRWKHTZVQBU-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(CCCC3OC(=O)c4ccccc43)CC2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXUTPFYHWHFEI-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)N2CCN(CCCC3OC(=O)c4ccccc43)CC2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDDIYSWVGJUDGD-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVPAATLRZNXQPM-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPXJLHLNHWZWNA-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPEMREFLFHHYHK-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(C(=O)c3ccccn3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJEYDYBCCJUWBD-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(C(=O)c3cccnc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVNITQIVYPWUCM-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(C(=O)c3ccncc3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAPLNZFFPJEQOP-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(C(=O)c3cc[nH]c3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXFKPPSSRDEMGL-UHFFFAOYSA-N", "SMILES:Cl.O=C1OC(CCCN2CCN(C(=O)c3c[nH]cn3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFCDQQABYKBSLT-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJGODJCAMXOIL-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXNLZQSYGMSGCJ-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(C(=O)c3cc4cccc(Cl)c4[nH]3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGAJSJUYQSPLW-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc(C(=O)N3CCN(CCCC4OC(=O)c5ccccc54)CC3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIQCAPLYYFZRHF-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)N3CCN(CCCC4OC(=O)c5ccccc54)CC3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUXRPSYBPVNSE-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(C(=O)N3CCN(CCCC4OC(=O)c5ccccc54)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVNGYTKKQOPSOC-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVPRKILINPPNY-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(C(=O)c3cc4cccnc4[nH]3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMAHJLHFFBRAQQ-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(C(=O)c3cc4ccncc4[nH]3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMPRITPBXBLQES-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(C(=O)c3cc4cnccc4[nH]3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMOCDETXSCKIBT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(CCCC3OC(=O)c4cc(O)ccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNZVBUISPZMQED-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c2ccc(O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVNHESYRFFIKI-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLLOEQVZSCQEOQ-UHFFFAOYSA-N", "SMILES:O=C1OC(CCCN2CCN(C(=O)c3cc4cccc(Cl)c4[nH]3)CC2)c2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISWZIIFHJCLVRQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N2CCN(CCCC3OC(=O)c4cc(NS(C)(=O)=O)ccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYYUVWQPZWFZSF-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(c1)C(=O)OC2CCCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYTKBBWLAUPQFX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1ccc2c(c1)C(=O)OC2CCCN1CCN(C(=O)c2cc3cccc(Cl)c3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLAAZJHGRHGARO-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccccc1C(O)CCCN1CCN(C(=O)C2Cc3cccc(Cl)c3N2)CC1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSFKARCSBQZBA-BOXHHOBZSA-N", "SMILES:Cl.O=C1O[C@@H](CCCN2CCN(C(=O)c3cc4cccc(Cl)c4[nH]3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNNSOXUNJHWTQK-NYYWCZLTSA-N", "SMILES:COc1ccc(C(=O)NCC2(F)CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLFKNUICCUAOCC-NYYWCZLTSA-N", "SMILES:COc1ccc(NC(=O)CC2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKIAFESJKZIWHD-NYYWCZLTSA-N", "SMILES:COc1ccc(NC(=O)C(F)(F)C2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTUQGRKGDHQFPP-NYYWCZLTSA-N", "SMILES:COc1ccc(NC(=O)CC2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRIODUYLAULGQN-RUDMXATFSA-N", "SMILES:Cn1cnc2cc(C(=O)N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZDCVRECMHHMF-RUDMXATFSA-N", "SMILES:Cn1ccc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATWIZAZZBVLHPR-RUDMXATFSA-N", "SMILES:Cc1cc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVUMDEHEOWWSFZ-RUDMXATFSA-N", "SMILES:Cc1c[nH]c2cc(C(=O)N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRHCBXCFHAVZMT-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3ncsc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVICAZJLKUSZMU-FPYGCLRLSA-N", "SMILES:Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWODFXREYSICBW-FPYGCLRLSA-N", "SMILES:Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(F)cc4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRCFSPCBJPTAM-FPYGCLRLSA-N", "SMILES:Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(Cl)cc4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWHLAVRIDQPLHB-VMPITWQZSA-N", "SMILES:N#Cc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc4nc(N)sc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABDPGYCGFJRIS-FPYGCLRLSA-N", "SMILES:Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(C(F)(F)F)cc4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPFYZYJGWKEKK-QHHAFSJGSA-N", "SMILES:Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(C(F)(F)F)c(Cl)c4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFDRCMYNSMVAM-QHHAFSJGSA-N", "SMILES:Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(F)c(F)c4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBDEFVYAZCMTN-ZZXKWVIFSA-N", "SMILES:Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(F)cc4F)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOACDIQQXYNKQG-QHHAFSJGSA-N", "SMILES:Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc5c(c4)CCO5)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNJQWJBKKJYEH-QHHAFSJGSA-N", "SMILES:Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc5c(c4)OC(F)(F)O5)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNPSFJASCVGGJB-BJMVGYQFSA-N", "SMILES:CN(C)c1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJDLRMVOPEYDV-RUDMXATFSA-N", "SMILES:CNc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIZUIHNXLWECSX-RUDMXATFSA-N", "SMILES:CC(=O)Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKUSISBUNSQZJG-XCVCLJGOSA-N", "SMILES:O=C(Nc1nc2ccc(C(=O)N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)cc2s1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLOCLMDYUXDDDJ-FPYGCLRLSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3nc(C(F)(F)F)sc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMSKLCEWBSPPY-UKRKRAMSSA-N", "SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3262876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTCJGVNSUEYAM-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHHPTIFDHMLHT-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUVISAOYPVXATD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(C(=O)NOCc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIVJKYRAPQKLIM-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(F)c(F)c1)Nc1cc(F)cc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBHCHRVKCGYDA-YBUSIOMQSA-L", "SMILES:CCCNC(=O)Nc1cccc(S(=O)(=O)Nc2cccc([C@@H](CC(=O)[O-])NC(=O)Nc3ccc(NC(=O)NCCOCCOCCOCCC(=O)N[C@@H](CC(=O)[O-])C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)O[C@]4(CC)C(=O)OCc5c4cc4n(c5=O)Cc5c-4nc4ccccc4c5CC)C(C)C)cc3)c2)c1.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVVYINHOOUNJAL-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIQQRISTXTNBC-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCOC)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGFGNRPHPZXHU-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCOC)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVGSGTCZRXFSGW-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCOC)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVHROCOTLFWAFF-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCO)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHCBVAFKHHSOFS-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCO)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWIUSGRKDAWGGX-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCO)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AERYQRKQXPKHAH-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCCO)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3818046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDKKMMXHTHOEBI-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YASIXTGDNNJPQS-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLVXFJRANPEJSA-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVWYOWIGSFIIKV-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCC3CCNCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCBQZMUJQGHNMD-IRJFHVNHSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUWYRWWPADNPA-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc4cnc(NCCCc5ccc(N)cc5)nc4n(CCCCN)c3=O)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNYPGSVVFRVQQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc4cnc(NCCCN5CCOCC5)nc4n(CCCCN)c3=O)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKMPPFJOKQMACK-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc4cnc(NCCCN5CCCC5=O)nc4n(CCCCN)c3=O)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVTKUQMRVFDNGG-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc4cnc(Nc5cc(C(F)(F)F)ccc5C)nc4n(CCCCN)c3=O)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPAJCWKXQKBAGZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc4cnc(Nc5ccc(CCCO)cc5)nc4n(CCCCN)c3=O)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNEMVAIJPJJSGN-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc4cnc(Nc5ccc(O)cc5)nc4n(CCCCN)c3=O)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMNZBVJJKGDBF-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc4cnc(Nc5ccc(C)c(O)c5)nc4n(CCCCN)c3=O)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOHEBHEHOPDOX-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc4cnc(Nc5ccc(F)c(CO)c5)nc4n(CCCCN)c3=O)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUGTXTWXBQFBCE-UHFFFAOYSA-N", "SMILES:COc1ccc(O)c(Nc2ncc3cc(-c4ccc(-c5cccc(C)n5)cc4Cl)c(=O)n(CCCCN)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXFGNYOXQAAKX-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRHLTGBIOGHCBP-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXCURVGCNPAVES-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCN)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJSEUOSRTYUJM-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc4cnc(NC(CO)CO)nc4n(CCCCN)c3=O)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQUHUDOWTAYJIL-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2ccc(-c3cc4cnc(NCCCN5CCNCC5)nc4n(CCCCN)c3=O)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNLJPCGKELYKAM-UHFFFAOYSA-N", "SMILES:CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIMCMBNSEPJKGB-UHFFFAOYSA-N", "SMILES:COCCN(CCc1ccc(Br)cc1)C1CCN(c2nccs2)CC1"]}
{"name": "Chitinase-3-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066184"], "id": "UniProtKB:Q61362", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVVDQHGTQAUAD-HXUWFJFHSA-N", "SMILES:Clc1ccc(C[C@H]2CCCN2C2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYCOIXNLEBVXEA-OFVILXPXSA-N", "SMILES:CC(C)CN1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3ccccn3)CC2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHGSCSVXVROEGG-VQTJNVASSA-N", "SMILES:O[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHGSCSVXVROEGG-PMACEKPBSA-N", "SMILES:O[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRGQGIVWTBXCIV-ZWKOTPCHSA-N", "SMILES:O[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3nccs3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRGQGIVWTBXCIV-ROUUACIJSA-N", "SMILES:O[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3nccs3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFNBQDEQCWLPP-AVRDEDQJSA-N", "SMILES:C[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSKFYIBNCPVDO-ZEQRLZLVSA-N", "SMILES:Clc1ccc(C[C@H]2CN3CCCC[C@H]3CN2C2CCN(c3ccccn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUGJYGGMNMWAD-FCHUYYIVSA-N", "SMILES:CN1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3ccccn3)CC2)C[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFSBKVROKZPUNB-LOSJGSFVSA-N", "SMILES:CC(C)CN1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3ccccn3)CC2)C[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXIGLDSYMMZZPZ-SFTDATJTSA-N", "SMILES:O[C@H]1CCN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGLGLRGHDAXGU-KXBFYZLASA-N", "SMILES:C[C@H]1CN(C2CCN(c3nccs3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMLSZVIGTSUDKD-UWJYYQICSA-N", "SMILES:C[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUASDJMEXFDEHC-LEWJYISDSA-N", "SMILES:OC[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCPCOJIMKXCHPW-MAEOIBBWSA-N", "SMILES:Cc1cc([C@H]2CC[C@@H](N(C)CCc3ccc(Cl)cc3)CC2)on1"]}
{"name": "Chitinase-3-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724768"], "id": "UniProtKB:P36222", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRMGQDCSKBEGQE-VABKMULXSA-N", "SMILES:O[C@H]1C[C@H]2CN(C3CCN(c4ccccn4)CC3)[C@@H](Cc3ccc(Cl)cc3)CN2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLXGFDUUQFGCX-JXFKEZNVSA-N", "SMILES:C[C@H]1CN(C2CCN(c3ncccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWUSAFUBXYYBBI-JXFKEZNVSA-N", "SMILES:C[C@H]1CN(C2CCN(c3cncnc3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHVLPHRKGHOPX-JXFKEZNVSA-N", "SMILES:C[C@H]1CN(C2CCN(c3ncccc3F)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQOGPGGGVBLMMY-KKSFZXQISA-N", "SMILES:C[C@H]1CN(C2CCN(c3cc(F)ccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTBOPSGMLUCIPC-JXFKEZNVSA-N", "SMILES:C[C@H]1CN(C2CCN(c3cccc(F)n3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDYZWSFYJLUMEN-AVRDEDQJSA-N", "SMILES:Cc1ccnc(N2CCC(N3C[C@H](C)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQUVGWGVUVRLTF-KKSFZXQISA-N", "SMILES:C[C@H]1CN(C2CCN(c3cc(Cl)ccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBYFODJPVIGQDW-FCHUYYIVSA-N", "SMILES:CS(=O)(=O)C[C@H]1CN(C2CCN(c3cc(Cl)ccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGSRWGVFPFSKA-XZOQPEGZSA-N", "SMILES:CC(C)[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZMAXULPLTZVSA-FCHUYYIVSA-N", "SMILES:COC[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCEGDBCIMMJRGC-BJKOFHAPSA-N", "SMILES:CC(C)OC[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGLNDKPAOCLCMC-FCHUYYIVSA-N", "SMILES:CC(C)(O)[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLKOYFICKLBEHK-DQEYMECFSA-N", "SMILES:CC(C)C[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEGMFGOVGRAQAY-BJKOFHAPSA-N", "SMILES:CN1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3ccccn3)CC2)C[C@@H]1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXQJJJJXRPQHOA-IZZNHLLZSA-N", "SMILES:CN1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3ccccn3)CC2)C[C@@H]1C1CCCC1"]}
{"name": "Chitinase-3-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066218"], "id": "UniProtKB:Q15782", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEDVPCVKDAHAOM-KKSFZXQISA-N", "SMILES:C[C@H]1CN(C2CCN(c3ccc(F)cn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYLHTMMNNHYFJ-KHWRBIFCSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC[C@H]1CN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOZRXJWWUBOMQ-ONJBJJICSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC[C@H]1CN(C2CCN(c3nccs3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIARIKSSTIGKEF-UHFFFAOYSA-N", "SMILES:Cc1[nH]c2cc(Cl)ccc2c1CN1CCN(c2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3402962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXTWZRIPELRWHW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGWDKPJFUQIBSL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDOZDKAJWGPIEH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGNRYCNTKYZEBJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBOUAOLFUAHOIO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEUYOCWZUGZHBD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)COc2ccc3ccc(=O)oc3c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5575170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIPNUKVCHFDIFD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc3ccc(=O)oc3c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5569049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUJZSSQTXMYMRV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRIMCCCKPSRSJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3F)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFRNDFOAHFDPOD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3Br)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXFTZRKWJZUQLA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2ccc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKQZFHAZHGOCQA-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(=O)oc2cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCVYOIHJUDHNC-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(=O)oc2cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYWWOQISXGQEI-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(=O)oc2cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHAPWPPEOWADFG-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(=O)oc2cc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDJGOANWVXJGW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTYXHKJFHGFDU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQACZBYYYOQIL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAKJAAVKIUGEGU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFYVUTWRZYOMNA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL23174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQMMKFBZUNKWAS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCHPXRQGHCAVJD-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFAQSYLCWEJNB-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3F)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKUCLQUYAXXHE-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUENCDRKKKZBMC-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3Br)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXUSYTTXOHBGD-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLTFGXXRHRIKSX-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSAGAAMVQKOJV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(COc2ccc3ccc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTZAUMRAQORXBV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRCWYQROAXBEJ-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)c(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNULZCLKROVLP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZJTXLBTECDTKJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNIXLVLFLGTRQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHHFOOCVKDPXHF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITIAKGTWQXZOL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)c2coc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMZOFCQVXMCFAK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2coc3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWKSRJLNZWGCOO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PETOIJBKQCECMT-UHFFFAOYSA-N", "SMILES:N#Cc1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COOYNHCRBYHLOD-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRTMYTUADOXNIZ-JAIQZWGSSA-N", "SMILES:C/C(=N/O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMKQNJDFWYSKD-UHFFFAOYSA-N", "SMILES:Cc1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKVQTROTCQCDLE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(COc2ccc3c(Cl)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDLONGHMIAFYJC-UHFFFAOYSA-N", "SMILES:CN(C)c1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORIYXJMMWOOZBD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(COc2ccc3c(N4CCOCC4)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHHNMIWMYJBSGM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2cc(=O)oc3cc(OCc4ccc(S(N)(=O)=O)cc4)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCGIAOEUWSTTJ-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPXIWRKRGGGCJD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJXZNTSFDXZFKC-UHFFFAOYSA-N", "SMILES:CN(C)Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOPXXAZRNQYWGO-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIZVTGOGWVWFS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(COc2ccc3c(CN4CCOCC4)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPQQZWWGNKRJE-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(Cc2cc(=O)oc3cc(OCc4ccc(S(N)(=O)=O)cc4)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFUCEAAUMRNNAT-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYSZJQBPRRDXLZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(OCc2ccc(S(N)(=O)=O)cc2)ccc2c(C)cc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGFVQELBBCKLHC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(COc2ccc3c(c2)oc(=O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYSJJLQLLAFEQG-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(OCc2ccc(S(N)(=O)=O)cc2)ccc2ccc(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAEYJRKCVGBDQH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(COc2ccc3cc(C(=O)O)c(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQCCTAVKREBAX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(COc2ccc3c(N4CCNCC4)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAZOKEQAANOOBB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(COc2ccc3c(CN4CCNCC4)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBVWGVDBVATASW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(COc2ccc3c(=O)ccoc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCXDVPRDWWPJQ-UHFFFAOYSA-N", "SMILES:NCCCCCCNC(=O)c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFFDQXGRQHTIHN-UHFFFAOYSA-N", "SMILES:NCCCCCCCNC(=O)c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTHZNQNWOSGIZ-UHFFFAOYSA-N", "SMILES:NCCCCCCCCNC(=O)c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWPPVFHZEZLOIG-UHFFFAOYSA-N", "SMILES:NCCCCCCNc1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTBMCISTKAGGHO-UHFFFAOYSA-N", "SMILES:NCCCCCCCNc1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJRGANYTPWSRRI-UHFFFAOYSA-N", "SMILES:NCCCCCCCCNc1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAZXJYRXHPDVLU-UHFFFAOYSA-N", "SMILES:NCCC(=O)NCCCCCCNC(=O)c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXANXOJHAAUPRW-UHFFFAOYSA-N", "SMILES:NCCOCCOCCNC(=O)c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATBCRUJQHRBIAQ-UHFFFAOYSA-N", "SMILES:NCCCCCCC#Cc1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGLBOQMSHFZREP-UHFFFAOYSA-N", "SMILES:NCCOCCNC(=O)c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DULFQINVAFVYHI-UHFFFAOYSA-N", "SMILES:NCCOCCOCCOCCNC(=O)c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNIJZCOEWOQCL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)NCCOCCOCCNC(=S)Nc4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITGRYFRJMJBLPN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nn(C(=O)c3ccccc3C(F)(F)F)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXNRACMZDLLAZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2nn(C(=O)c3ccccc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDTRSQVBDTUDJB-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2cn(-c3ccc(C(=O)O)s3)c3ccccc23)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXPMJJOFHJYJV-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C(=O)O)cc4)c3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRHVGELKFLMPKV-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc(Nc3ccc(C(=O)O)cc3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXGRCPQSSMCPC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(CNc3ccccc3)c3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDTKFLZADYHTRV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(CNc3ccccc3)c3ccccc32)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNXMDTURYPFSRW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(CNc3ccccc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJPDVYDKYIAEFL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-n2cc(CNc3ccccc3)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEANGZDQGTXPDE-UHFFFAOYSA-N", "SMILES:CC(Nc1ccccc1)c1cn(-c2ccc(C(=O)O)s2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBYNZVFTDPYKEI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(CNc3ccccc3Cl)c3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQKNNWYQDLNJS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(C(=O)c3ccccc3)c3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTYHUPHJFLUFCB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)c1cn(-c2ccc(C(=O)O)s2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTAYKHLDYDVCAM-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)c2cn(-c3ccc(C(=O)O)s3)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLIOPDDBOTDAU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2cn(-c3ccc(C(=O)O)s3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYJSMVUBCQLWCC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYYSKRILFKTEBE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(C(=O)c3ccccc3Cl)c3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGYSJBUOWZTULL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(C(=O)c3cccc(Cl)c3)c3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJUQDWILRGBORQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(C(=O)c3ccc(Cl)cc3)c3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIVJRGHKJJXCHB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNPXSUSJSLWSLO-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(C(=O)O)s2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTSOBYXPCKLBMN-UHFFFAOYSA-N", "SMILES:Cc1cc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4454027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYHNQIQWDRXLHS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGPNILNAOYESCU-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2nc1Cc1ccccc1)N1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5554992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQOGAJRHADUYJA-UHFFFAOYSA-N", "SMILES:O=C1OCc2cc(NC(=O)c3ccccc3SCc3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCDJSUBSJHDNIH-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c(=O)[nH]c2cc(-c3noc(COc4ccc(F)cc4)n3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4533188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMDKSSAVTNXHFI-AFUMVMLFSA-N", "SMILES:COc1cc(-c2nc3ccccn3c2/N=C/c2c[nH]nc2-c2ccccc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOOKENTXCMTGP-HXUWFJFHSA-N", "SMILES:O=C(O)c1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIEQVDJMJJQSTL-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZZEXUFFLIQPD-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(OCC2CC2)c(I)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPAIIGPLDKMIGV-UHFFFAOYSA-N", "SMILES:CCC(C)c1cc(OC)c(I)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3716407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHEAZCABDDLXHC-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(O)c(I)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSTVSISINCAWDS-UHFFFAOYSA-N", "SMILES:CCCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVRNTTWOULEGER-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQHNONSZTPQFAW-UHFFFAOYSA-N", "SMILES:CCC(C)Oc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJFIOYCFLGRAPI-UHFFFAOYSA-N", "SMILES:CC(C)CCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZMIKJAMNVVJS-UHFFFAOYSA-N", "SMILES:CCCCCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTDRAKPJKBMMLE-UHFFFAOYSA-N", "SMILES:CCCCCCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNZNJGCSRULMD-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(OCC2CCC2)c(I)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSIMYLURKJCJW-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(OCC2CCCC2)c(I)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSSBEXBKFHKAAL-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(OCC2CCCCC2)c(I)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWYOYNCENTSAK-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(OCCc2ccccc2)c(I)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL495195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWWMBMTVBODZCC-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFOXLYYGOXDSJI-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMTDZZMIZVAUGN-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTZFQNFTUADQIQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWLOTYRHULARKZ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQJPRYHUOYWBW-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKEVUROZCIBATF-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJUITROTMOZWRC-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCGSLGIKNGFWEP-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MABBYEVMXUKTDZ-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAXIIXOLBUJVLF-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUDZFGKYGDBAC-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUDVQFVJKAUKCW-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCGHMJGLRWJNX-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAXRKLWSUJEGJO-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKKWQPDACKIZOP-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1cc(C)cc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARKXEVBQKSAKKE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cc(Oc3cnc(N)nc3N)c(C(C)C)cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWSOKBFSWRBLH-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNVIISHYCAUBA-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKFBXQXKYBLKF-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(C(F)(F)F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPAKDJYOVTVFI-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRWLXJOIQPZGF-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cnc(N)nc2N)cc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRFGEXLTYKCDX-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2cnc(N)nc2N)cc1-c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTGLIGRLHZARLQ-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJHDWAYAHHEHEP-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZWLPKDJNZNRAO-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPOFXVODYGCZGO-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cc(Oc3cnc(N)nc3N)c(C(C)C)cc2OCC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGZVVBCRBAUBI-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFFPMYAHAOVJPM-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(OCC2CC2)c(-c2cc(Cl)cc(Cl)c2)cc1Oc1cnc(N)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPQLUQVDNKMFQO-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFPDTWYTWLDPKL-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL502618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNXVOAVSOLSRGY-UHFFFAOYSA-N", "SMILES:CCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGBRIVKSSCZKO-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWTNGCHIZGTYQV-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1nccc(Nc2ccc(C3CC3)c3ccccc23)n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJMSLMEVNPOJS-UHFFFAOYSA-N", "SMILES:O=C(O)CCCSc1nccc(Nc2ccc(C3CC3)c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISBCFTPJLAIREZ-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1nc(Nc2ccc(C3CC3)c3ccccc23)c2ccccc2n1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEXOZAVXQFNOMY-UHFFFAOYSA-N", "SMILES:COc1cc2nc(SCC(=O)O)nc(Nc3ccc(C4CC4)c4ccccc34)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFJNEIILIQCUKG-UHFFFAOYSA-N", "SMILES:O=C(O)CCSc1nc(Nc2ccc(C3CC3)c3ccccc23)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCYFDOOWTYKXND-UHFFFAOYSA-N", "SMILES:O=C(O)CCCSc1nc(Nc2ccc(C3CC3)c3ccccc23)c2sccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYQIWPSQXMRRHJ-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1nc2c(c(Nc3ccc(C4CC4)c4ccccc34)n1)CCC2)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYJXOGYGBWAIY-UHFFFAOYSA-N", "SMILES:O=C(O)CCSc1nc2c(c(Nc3ccc(C4CC4)c4ccccc34)n1)CCC2"]}
{"name": "Solute carrier family 2, facilitated glucose transporter member 9", "xref": ["CHEMBL.TARGET:CHEMBL5465311"], "id": "UniProtKB:Q3T9X0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUWVYRVFDQOTB-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2ccccc2C(F)(F)F)c2ccccc2n1C1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLCUKNDKOVTBI-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2ccccc2C(F)(F)F)c2ccccc2n1C1CCN(Cc2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILYKAMFZTUPMDX-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2ccccc2C(F)(F)F)c2ccccc2n1C1CCN(Cc2c(Cl)cccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQSYYSLORCGWCS-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2ccccc2C(F)(F)F)c2ccccc2n1C1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSLURIRPJOPYTL-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2ccccc2C(F)(F)F)c2ccccc2n1C1CCN(c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUEMAONCOJSYCW-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2ccccc2C(F)(F)F)c2ccccc2n1C1CCN(c2c(Cl)cccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCHXWXYPRPTKOO-UHFFFAOYSA-N", "SMILES:O=c1n(Cc2ccccc2C(F)(F)F)c2ccccc2n1C1CCN(c2c(F)cccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUJGMJGVYBSSCC-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N1CCC(n2c(=O)n(Cc3ccccc3C(F)(F)F)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEMUJMVFKKLKC-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1N1CCC(n2c(=O)n(Cc3ccccc3C(F)(F)F)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5557697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVVITPXVTXMDA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N1CCC(n2c(=O)n(Cc3ccccc3C(F)(F)F)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHKTWUPQVLAHV-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCC(n2c(=O)n(Cc3ccccc3C(F)(F)F)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOFJRJZNFPHSC-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1N1CCC(n2c(=O)n(Cc3ccccc3C(F)(F)F)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMHKAWCXVAFGSP-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCC(n3c(=O)n(Cc4ccccc4C(F)(F)F)c4ccccc43)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCVPZSUTTPJCFF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1c(=O)n(C2CCN(c3c(C)cccc3C)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXVIDQVGJRCPT-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1c(=O)n(C2CCN(c3c(C)cccc3C)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKJBMLINUDSKG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N1CCC(n2c(=O)n(Cc3ccccc3OC(F)(F)F)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYZSYHKGKYAEHQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N1CCC(n2c(=O)n(Cc3ccccc3Cl)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDCMJRUZRZVKIL-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N1CCC(n2c(=O)n(Cc3ccccc3C#N)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGLZXRSMPYRDMG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N1CCC(n2c(=O)n(C(C)c3ccccc3C(F)(F)F)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNCTZORBZDPMBI-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Cn1c(=O)n(C2CCN(c3c(C)cccc3C)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOHZSPRJJQSQQJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N1CCC(n2c(=O)n(Cc3ccccc3)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVDJJZVMFVUYSY-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N1CCCC(n2c(=O)n(Cc3ccccc3C(F)(F)F)c3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVYKTLJTOCIMT-OAQYLSRUSA-N", "SMILES:Cc1cccc(C)c1N1CC[C@@H](n2c(=O)n(Cc3ccccc3C(F)(F)F)c3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITVYKTLJTOCIMT-NRFANRHFSA-N", "SMILES:Cc1cccc(C)c1N1CC[C@H](n2c(=O)n(Cc3ccccc3C(F)(F)F)c3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWPSMSSSOYKTR-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N1CC(n2c(=O)n(Cc3ccccc3C(F)(F)F)c3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONKTXFDNNPZTSN-UHFFFAOYSA-N", "SMILES:COc1cccc2c1n(Cc1ccccc1C(F)(F)F)c(=O)n2C1CCN(c2c(C)cccc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGMAYQHEYEMQO-UHFFFAOYSA-N", "SMILES:COc1cccc2c1n(Cc1ccccc1C(F)(F)F)c(=O)n2C1CCN(c2c(F)cccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHLKALCDANILB-UHFFFAOYSA-N", "SMILES:COc1cccc2c1n(Cc1ccccc1C(F)(F)F)c(=O)n2C1CCN(c2c(C)cccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDEDBKYSRFURFN-UHFFFAOYSA-N", "SMILES:COc1cccc(C)c1N1CCC(n2c(=O)n(Cc3ccccc3C(F)(F)F)c3c(OC)cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXUAXQIVXJOXQB-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1N1CCC(n2c(=O)n(Cc3ccccc3C(F)(F)F)c3c(OC)cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDZBYSIKIKFEOO-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1N1CCC(n2c(=O)n(Cc3ccccc3C(F)(F)F)c3c(OC)cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJPDNUMBZULXGX-OAQYLSRUSA-N", "SMILES:COc1cccc2c1n(Cc1ccccc1C(F)(F)F)c(=O)n2[C@@H]1CCN(c2c(C)cccc2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDIDHWPKMWDFJQ-QGZVFWFLSA-N", "SMILES:COc1cccc2c1n(Cc1ccccc1C(F)(F)F)c(=O)n2[C@@H]1CCN(c2c(F)cccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPDYDYCMSXAOJC-LJQANCHMSA-N", "SMILES:COc1cccc2c1n(Cc1ccccc1C(F)(F)F)c(=O)n2[C@@H]1CCN(c2c(C)cccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJYQNKXHNBOYFG-HXUWFJFHSA-N", "SMILES:COc1cccc(C)c1N1CC[C@@H](n2c(=O)n(Cc3ccccc3C(F)(F)F)c3c(OC)cccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPXAULSTPOOOW-GOSISDBHSA-N", "SMILES:COc1cccc(F)c1N1CC[C@@H](n2c(=O)n(Cc3ccccc3C(F)(F)F)c3c(OC)cccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZDUTFIMPHMJOV-LJQANCHMSA-N", "SMILES:COc1cccc(OC)c1N1CC[C@@H](n2c(=O)n(Cc3ccccc3C(F)(F)F)c3c(OC)cccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSPTRGIBCWWRQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1N1CCC(N2Cc3ccccc3N(Cc3ccccc3C(F)(F)F)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMZFFQWZRMWDJL-UHFFFAOYSA-N", "SMILES:COc1cccc2c1N(Cc1ccccc1C(F)(F)F)C(=O)N(C1CCN(c3c(C)cccc3C)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDINXKCGOAGPJ-HSZRJFAPSA-N", "SMILES:Cc1cccc(C)c1N1CC[C@@H](N2Cc3ccccc3N(Cc3ccccc3C(F)(F)F)C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQTYPFJRNAVCU-UHFFFAOYSA-N", "SMILES:O=C1N(Cc2ccccc2C(F)(F)F)c2ccccc2CN1C1CCN(c2c(F)cccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUTHEOCJFAFDRT-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1N1CCC(N2Cc3ccccc3N(Cc3ccccc3C(F)(F)F)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKWNQRUJDBWFPC-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1N1CCC(N2Cc3ccccc3N(Cc3ccccc3C(F)(F)F)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOLDTYAXXZNPTF-UHFFFAOYSA-N", "SMILES:COc1cccc(C)c1N1CCC(N2Cc3ccccc3N(Cc3ccccc3C(F)(F)F)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGMCLXGAIDBJH-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1N1CCC(N2Cc3ccccc3N(Cc3ccccc3C(F)(F)F)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPBZHPHEAGSSY-UHFFFAOYSA-N", "SMILES:O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccc(Cl)cc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKMRJFNAVGGPDW-UHFFFAOYSA-N", "SMILES:O=C1N(Cc2ccccc2C(F)(F)F)c2ccccc2C12CCN(Cc1ccc(Cl)cc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCVWIYDMTYOPQ-UHFFFAOYSA-N", "SMILES:COc1cccc2c1N(Cc1ccccc1C(F)(F)F)C(=O)C21CCN(Cc2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPSDMKKYKZTMIS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYEFGYPIAQKJEJ-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3ccc4[nH]ccc4c3)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTHYVAYAPNFJKE-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cccc4[nH]ccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCPBQONVWLQEW-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3ccc4cc[nH]c4c3)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVCYCYNYJHLYHC-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cccc4cc[nH]c34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRWSIWOAUIZIU-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cc4ccccc4[nH]3)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLJLHYMQPNVIY-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4ccccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNWKHVKVUHBPO-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3n[nH]c4ccccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAKMYGRORJVHAT-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cccnc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHTSDSGJGPCSHD-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4ccncc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOTZJGWSMXRKCW-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cnccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYICOJMDBXPVCS-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4ncccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKUMVKGKRIOXSY-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3csc4ccccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKCYNHJGAZWHNG-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3csc4c3CCCC4)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSCZTNBLMFLFNI-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cccc(Cl)c34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQOWBCHCTJPFSQ-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4ccc(Cl)cc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGARUIGUKNJTP-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cc(Cl)ccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBNIEUCXQWFRHQ-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4c(Cl)cccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZFKHHADHQMTGE-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cc(Cl)c(Cl)cc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNZDTSXRYNKCJO-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]cc(Cn3cc(-c4cc(-c5cccc(C#N)c5C)nc(N)n4)nn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAKKPJDDPGCSEK-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Cn3cc(-c4cc(-c5cccc(C#N)c5C)nc(N)n4)nn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOYUWLLWHPIMFS-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(Cn3cc(-c4cc(-c5cccc(C#N)c5C)nc(N)n4)nn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSGNSAAUKKWFCW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Cn3cc(-c4cc(-c5cccc(C#N)c5C)nc(N)n4)nn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DALYDPLHAIMRAJ-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4ccc(OC(C)C)cc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQHEQWDJYDLBR-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cc(OC(C)C)ccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYSWVEIFRAGYBX-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4ccc(OC5CCCC5)cc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTISTZVDZLLWMG-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cc(OC5CCCC5)ccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISJSARXNNZJQNI-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4ccc(F)cc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZZKLNBWEAHQMM-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cc(F)ccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLIPLJJHPCTLDO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2[nH]cc(Cn3cc(-c4cc(-c5cccc(C#N)c5C)nc(N)n4)nn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVSLTUIQLERFX-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4ccc(S(C)(=O)=O)cc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRAZZSCETIEKQE-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cc(S(C)(=O)=O)ccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXSLMMZUNIHCA-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4ccc(C#N)cc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOBITFNSDBHSKF-UHFFFAOYSA-N", "SMILES:Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cc(C#N)ccc34)nn2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTAQVASXCUBRCD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(Cn3cc(-c4cc(-c5cccc(C#N)c5C)nc(N)n4)nn3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569567", "category": ["biolink:ChemicalEntity"], "name": "MUVADENANT", "xref": ["InChIKey:CSSAKLQGJYJMNW-NRFANRHFSA-N", "SMILES:COc1ncc(C2=CCOCC2)c2sc(NC(=O)N3CC[C@@]4(CCCOC4)C3)nc12"], "synonym": ["Muvadenant", "Muvadenant", "Muvadenant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWHTFJGIGNJFL-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc(N)c5ncccc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFABSQMEODRJN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(N)c2ncccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCZORWQNKCYGE-UHFFFAOYSA-N", "SMILES:CC1(C)c2cc(C3CCN(CC4CCOCC4)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDGNCVHQDDOPND-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1-c1cnn(CC(=O)N(C)C)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIIPLUSQGIIGMV-UHFFFAOYSA-N", "SMILES:CCc1cc2c(cc1-c1ccn(CCCN(C)C)n1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXTPIRWETKOHAO-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc(N)nc4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIRVXAQNXXIGHE-UHFFFAOYSA-N", "SMILES:Cc1nc2cnc(N)c(C#Cc3cncc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3)c2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLMIILZNLZZFW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)ncn3-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPDYZHXLWDDCC-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1nc2ccc(N)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRCVQVIMGSWRLN-UHFFFAOYSA-N", "SMILES:O=C(c1cnc(C(=O)c2c[nH]c3cc(O)ccc23)[nH]1)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZNXLLUCZQTESC-OZXSUGGESA-N", "SMILES:CC(C)[C@@H]1NC(=O)CCCCCCCCCCCC(=O)N[C@@H](Cc2ccccc2)COC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGZYZAHQYIVSO-KWEGTGNGSA-N", "SMILES:CC[C@H](C)C1OC(=O)[C@H](C(C)C)NC(=O)CCCCCCC[C@H](O)[C@@H](C)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3827314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMMNMYIURWAKDB-HNNXBMFYSA-N", "SMILES:O=C(NO)[C@@H]1CN(c2ccc(C#CC#CC3CC3)c(F)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFOVGFHIUOKNHR-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-n2cc(COc3cccc4nc(Cl)ccc34)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVUKYECMARZVLG-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-n2nnc(CCN(CC)CC)c2Cc2ccc(-c3ccc(OC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKNSFXQADXBGO-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-n2nnc(CCN3CCCC3)c2Cc2ccc(-c3ccc(OC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBSHHVOUQOKUFK-UHFFFAOYSA-N", "SMILES:CCCCCc1ccc(-n2nnc(CCN3CCN(C)CC3)c2Cc2ccc(-c3ccc(OC)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314548", "category": ["biolink:ChemicalEntity"], "name": "USNOFLAST", "xref": ["InChIKey:HAMGPBKPACGWND-ZOXUKVPXSA-N", "SMILES:CN1CCC[C@]1(C)/C=C/S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2"], "synonym": ["Usnoflast", "Usnoflast", "Usnoflast", "Zyil 1", "ZYIL-1", "ZYIL1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZGDFCVXWIWQF-ZRDIBKRKSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)/C=C/S(=O)(=O)c2ccccc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMJBRTGJIKWBRU-ACCUITESSA-N", "SMILES:O=C(/C=C/S(=O)(=O)c1ccccc1Cl)OCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBLWFQYQPOXHG-UHFFFAOYSA-N", "SMILES:O=C(CBr)NCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJRLXUGPNAJSA-CQYWEGEGSA-N", "SMILES:CCOCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXJBZNZNJCMRZ-YYFDBVFDSA-N", "SMILES:COc1c(O)cc2c(c1C)C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5563663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNHXIVBGQAGPG-UZOKODQWSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)[C@@H](Br)C[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PILNSMVMGUDXPO-CRJPYGARSA-N", "SMILES:CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)C3=CC[C@@H](C4=CC(=O)O[C@@H]4O)[C@]3(C)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDAMGXWSJDOBS-CSMVVSCPSA-N", "SMILES:CC(=O)O[C@@H]1C[C@H]2C(C)(C)OC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=CC(=O)O[C@@H]3O)[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUITRCHUYXOOG-MIMBMGMYSA-N", "SMILES:CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H](C4=CC(=O)O[C@@H]4O)[C@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)OC(C)(C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJYZQYADYGJYFC-HLLCGYOYSA-N", "SMILES:CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=CC(=O)NC5=O)C[C@H]5O[C@]54[C@]3(C)OC(=O)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3416305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEWLYFZWVLXQME-INIZCTEOSA-N", "SMILES:CC(=O)C1=C(O)C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@@]2(C)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5542372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZKGRCIKQBHSNA-NFAWXSAZSA-N", "SMILES:C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Cl)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5570690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKBYDFCWGJLABS-ZDUSSCGKSA-N", "SMILES:Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(N)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGKRJZSQVHRBJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccncc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542556", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGQEAHSEGUETD-QAQDUYKDSA-N", "SMILES:COc1ncc(-c2nc(-c3ccc(F)cc3)cn2[C@H]2CC[C@H](O)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPEOWZPHZJGGSE-RBPBNGIGSA-N", "SMILES:O=C(/C(=C/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL583042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTVMXLIGHTZJC-OAQYLSRUSA-N", "SMILES:Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEFLPVRZJPIAZ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4)cn3)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXDOUBRAWQLAGH-UHFFFAOYSA-N", "SMILES:O=C(NC1COC1)c1cc(-n2ncc3cc(Nc4c(F)cccc4Cl)cnc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3355181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDNOBDTYZKRSTK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnn(-c2cccc(C(=O)NCC3CCNCC3)c2)c1)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXBAJAWZPVUBDW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CNc2n[nH]c3cccc(Cl)c23)cc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXIHCIYDMGYKSF-UHFFFAOYSA-N", "SMILES:CCCCCCn1c(S)nc2c1c(=O)[nH]c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGICVDGDWJJCIH-UHFFFAOYSA-N", "SMILES:NC(=O)N1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccnc(NC4CCN(C(=O)C5CC5)C4)n3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZDNHCOKONAHO-GOSISDBHSA-N", "SMILES:O=C(C1CC1)N1CCC[C@@H](Nc2nccc(-n3c(-c4ccc5c(c4)OCCO5)nc4cc(O)c(O)cc43)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAACZSCHHJKDPJ-UHFFFAOYSA-N", "SMILES:N#CCc1cn(-c2cccc(NC3CCCN(C(=O)C4CC4)C3)c2)c(-c2ccc3ccccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPAKBBJBLXVUPC-HSZRJFAPSA-N", "SMILES:CNC(=O)Oc1cc2c(cc1F)nc(-c1ccc3ccccc3c1)n2-c1ccnc(N[C@@H]2CCCN(C(=O)C3CC3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNOFQKYBQYGFNQ-YPKPFQOOSA-N", "SMILES:O=C1N/C(=N/c2ccccc2Cl)S/C1=C1\\C(=O)Nc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRZOIOJSTMXLIE-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cccc(Sc3ncccc3C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKZSLMUJNIBFIE-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cccc(Sc3cc(C(F)(F)F)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGHYFPZNRPPOG-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cccc(Sc3ccc(C(F)(F)F)cn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNRBMCKNWTDDE-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cccc(Sc3cccc(C(F)(F)F)n3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWSELGUBYFAAH-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2ccc(F)c(Sc3cc(C(F)(F)F)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UONXZGQMYDDMOX-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cc(Sc3cc(C(F)(F)F)ccn3)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOBMFBDQHSDTD-UHFFFAOYSA-N", "SMILES:COc1ccc(CC2CCN(C(=O)c3cccc(O)c3)CC2)cc1Sc1cc(C(F)(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBTQNONJXOEFCN-UHFFFAOYSA-N", "SMILES:COc1ccc(Sc2cc(C(F)(F)F)ccn2)cc1CC1CCN(C(=O)c2cccc(O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUCYPPDUDRDSNO-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2ccc(O)c(Sc3cc(C(F)(F)F)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJRJXXNXILDUTB-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(O)c1)N1CCC(Cc2cc(Sc3cc(C(F)(F)F)ccn3)ccc2O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJOKACOKXJIMBC-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)ccc1Sc1ccccc1)N1CCC(Cc2cccc(Sc3cc(C(F)(F)F)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWMKKZODTZXAEF-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)cc(Sc2ccccc2)c1)N1CCC(Cc2cccc(Sc3cc(C(F)(F)F)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVPKHOBCWBIKJM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Sc2ccccc2)c(O)c1)N1CCC(Cc2cccc(Sc3cc(C(F)(F)F)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXHBSAVNVDWSU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1C(=O)N1CCC(Cc2cccc(Sc3cc(C(F)(F)F)ccn3)c2)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRZHNZBMWKPHDL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(O)cc(C(=O)N2CCC(Cc3cccc(Sc4cc(C(F)(F)F)ccn4)c3)CC2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVJTVRACOGMHHO-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)ccc1F)N1CCC(Cc2cccc(Sc3cc(C(F)(F)F)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAKMQOKBJXBWNP-UHFFFAOYSA-N", "SMILES:O=C(c1cc(O)ccc1F)N1CCN(Cc2cccc(Sc3cc(C(F)(F)F)ccn3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWFNLXYEGDLTSO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CN2CCOCC2)cc1)N1CCCC(Nc2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVHBQVZDWTSHS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CN2CCCC2)cc1)N1CCCC(Nc2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVHNWGCOBMXRQX-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2ccnc2)cc1)N1CCCC(Nc2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGRNMEWWBAFFQI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2cncn2)cc1)N1CCCC(Nc2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDEODIFGUQOOGH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)N1CCCC(Nc2ccc3c(c2)OCO3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZZHKBHJRRSLOZ-UHFFFAOYSA-N", "SMILES:N#C[Se]Cc1ccc(C(=O)N2CCCC(Nc3ccc4c(c3)OCO4)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFMCKLHTSXILBO-UHFFFAOYSA-N", "SMILES:NC(=S)NCc1ccc(C(=O)N2CCCC(Nc3ccc4c(c3)OCO4)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIUYKPHEIHBTOW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(c2ccc3c(c2)OCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDNVCHPPXQSDEC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2ccc3c(c2)OCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCFSZVTLHDUCC-UHFFFAOYSA-N", "SMILES:NC(=S)NCc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVUYVHGZTQDFRS-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BERBEJHBAXVZKC-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(C(=O)c3ccc(Cn4cc(CO)c5ccccc54)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBMYWNALBXGEJ-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cn(Cc3ccc(F)cc3)c3ccccc23)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMIWEBKOGMVKTC-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2cn(Cc3ccccc3)c3ccccc23)oc2cc(O)cc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZGZFONKKPMOLH-UHFFFAOYSA-N", "SMILES:CCCCCn1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRUSZVPTAHHJJO-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc3c(Nc4ccc(F)c(Cl)c4)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBAUBZCZHMECKC-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc3c(Nc4ccc(Br)cc4F)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCBAWVFGNPIMF-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3c2ncn3Cc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZANTLQYOHNUSM-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2Cc1ccc(-c2cn(CCCCCCC(=O)NO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCVYWWSLZGQEHY-AREMUKBSSA-N", "SMILES:O=C(NO)C1CCN(C[C@@H](O)COC(Cn2c3ccccc3c3ccccc32)Cn2c3ccccc3c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIMVRXKXIZXFMD-CQSZACIVSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C)n([C@H](C)c3ccccn3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJVBCQJBIHMYGJ-OAHLLOKOSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C)n([C@H](C)c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWGHDVNGRJHGCR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C)n(C3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBUGSIYIDNIAR-MRXNPFEDSA-N", "SMILES:COc1cc2c(cc1-c1c(C)n[nH]c1C)ncc1nc(C)n([C@H](C)c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOJXOAORRXTPLV-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C)nc3cnc4cc(-c5ccc(O)cc5)c(OC)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBUGSIYIDNIAR-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1-c1c(C)n[nH]c1C)ncc1nc(C)n([C@@H](C)c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEFKZCTYVYDDR-KRWDZBQOSA-N", "SMILES:COc1cc2c(cc1-c1ccc3[nH]ccc3c1)ncc1nc(C)n([C@@H](C)c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLHAZYBMVMKQPC-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1-c1ccc(O)cc1)ncc1nc(C)n([C@@H](C)c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYMJQAFQNREMLJ-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1-c1ccc(N)cc1)ncc1nc(C)n([C@@H](C)c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWIBXZSIHANEDM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C)nc3cnc4cc(-c5c(C)noc5C)c(OC)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSMYJDJYFHBIMV-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C)n(-c3ccc(CC#N)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDPCDMUSGORQAM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C)n(-c3ccc(C#N)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAVQGFXKXWDQLS-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C)nc3cnc4cc(-c5c(C)n[nH]c5C)c(OC)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAQCAGJLINGTIJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2c(C)nc3cnc4cc(-c5ccc(N)cc5)c(OC)cc4c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIEVQQNUOQCQQT-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYISLTYEXFTYAC-UHFFFAOYSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHZKWPMYADCRCR-KBPBESRZSA-N", "SMILES:CP(C)(=O)c1c(C#N)ccc2c(-c3nc(N[C@@H]4CNC[C@@H](F)C4)nc4ccsc34)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPAONCJDMPRBNQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3cccnc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZKABLWPMHJYEY-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(Cl)cc2)nc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWBRQOWVBSBGU-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANKJWPCFPUAZOK-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUTWNQYLKAHAI-SAPNQHFASA-N", "SMILES:C/C(=C\\C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKPQYJXIOXCEOR-LHDBHILBSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJHVNHVCSOOAOI-VPMXOMFVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHLHXVJWSSJVOR-CPEWCRFESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKQDMQZGMNCSKU-BCAJSGDVSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIYMRMGCDSFODO-MMNQTPCASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBIGCDPARYIGY-SMZCPCJNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGFFUNYDYKZTRM-AFUVYLBASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOQLNSYLEUXUDY-WYVRMAEHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBLFEUTFGOUFB-HNUMYPPCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMMVGAKUKTWCMD-GXFRZESJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHFODXAPTCZIFA-DJHDTSRQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOPASPVJSVNYHG-FHCHVZBUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWPWSKPKOOTENJ-AFUVYLBASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFOLWGHJQJFRQJ-BYMWVHHDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOLKOMKXZSFAGT-DYNXDNECSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNVAXUFMUZCTBZ-UUIZTBRUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSNYIGOGJWNEO-GXFRZESJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLNMKLWDWNPBGE-QPVVIQJESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZTUHGLXCMCASR-QPVVIQJESA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHRINDZHINOHFY-WQEZNJRFSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)[C@@H](C)CC)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VICNHDAMYCQZNA-GXFRZESJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLBYAFQGUJGKGX-ZIYVTSTCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAQVSVNFPHRENM-LTWDMPRUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBUXYPJNNHXCN-UVSUKTJQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMWYLNGNPBBHOX-FSXAQXDRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZTSWZHSKCVVBD-WXRQXTPFSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPJBALPEADJZPM-QZEPEJLESA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZSFRIFFCSPDIB-KXVXADKUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGEKLNFRIGPSPT-PBLHOMEFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIUYPHONWLBVQL-ZWCPXBSBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVONKOVZRJREAW-QSOLQPGNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCTVLIVCOLBAQ-DXNKSRIJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USXYKBGDCBASAS-FOYVPSEESA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLBPIUJUCNFESZ-ZPAIUJLCSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZGTXXFIKQCWAW-SQYBQQIASA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXJJAIZTTUADN-SQYBQQIASA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FELYREZKOXUIOQ-CPENTIRZSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWDMSCCFXWXHBN-DVSHOQRISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPZPVTOXVNHSNO-DVSHOQRISA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULDLMQKYMFZNFV-ZZAWWFASSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBLLPXCQPKQMH-XTUCPZQBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSGCYVILHQQLQU-AQLQZURXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFDWPOQDPSJMKK-BHJNBZGJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQSSIFXEUWJHSP-HBBODORLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDGOJCOKDCFPQW-SCDXLKQMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUDULPJJXAEMTC-UVZZUVOYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJHIQJCLEWLRBD-NQLQXFKLSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLOLQJNKXBNWFW-JMUPIODPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNSUPWSKXFRJB-UHFFFAOYSA-N", "SMILES:CNCc1cccc(NCc2ccc(-c3ccc(C(=O)O)c(O)c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKENIZAZCREQIC-UHFFFAOYSA-N", "SMILES:CNC(=O)CCc1ccc(CNCc2cccc(NCc3ccc(-c4ccc(C(=O)O)c(O)c4)o3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYTWXCAJQXAMBC-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(CNCc2ccc(O)c(C(=O)O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBJAZYEOJIRNX-UHFFFAOYSA-N", "SMILES:CC(=O)NCc1ccc(NCc2ccc(O)c(C(=O)O)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLGHKAWETKDKDC-UHFFFAOYSA-N", "SMILES:CNCc1ccc(-c2ccc(C(=O)O)c(O)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVMHESAHFPWKSI-UHFFFAOYSA-N", "SMILES:CNCc1cccc(NCc2ccc(-c3ccc(C(=O)O)cc3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITJRTVSCUYMUMF-UHFFFAOYSA-N", "SMILES:CNCc1cccc(NCc2ccc(-c3cccc(O)c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRWRBBKQKMCNSG-UHFFFAOYSA-N", "SMILES:CNCc1cccc(NCc2ccc(-c3cccc(C(=O)O)c3O)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLXGPBIUVESMQ-UHFFFAOYSA-N", "SMILES:NCc1cccc(NCc2ccc(-c3ccc(C(=O)O)c(O)c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKYNCBFRIECMG-UHFFFAOYSA-N", "SMILES:NCc1cccc(NCc2ccc(-c3ccc(C(=O)O)c(O)c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPZCHXYUMZAOAU-UHFFFAOYSA-N", "SMILES:NCc1cccc(NCc2cccc(-c3ccc(C(=O)O)c(O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNYSMYUTFFSBN-UHFFFAOYSA-N", "SMILES:NCc1cccc(NCc2cc(C(=O)O)cc(-c3ccc(C(=O)O)c(O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJKMPROFWKAGA-UHFFFAOYSA-N", "SMILES:NCc1cccc(NCc2cccc(-c3ccc(C(=O)O)c(O)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MENSHUGZAHFZAH-UHFFFAOYSA-N", "SMILES:Cc1cc(CNc2cccc(CN)c2)cc(-c2ccc(C(=O)O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLQJJUFVJTXGF-UHFFFAOYSA-N", "SMILES:NCc1cccc(NC(=O)c2cccc(-c3ccc(C(=O)O)c(O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPJBPLABBGWYGR-UHFFFAOYSA-N", "SMILES:NCc1cccc(N2Cc3ccc(-c4ccc(C(=O)O)c(O)c4)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAURRNOQIFNYNQ-UHFFFAOYSA-N", "SMILES:NCc1cccc(NCc2cc(O)cc(-c3ccc(C(=O)O)c(O)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBFDRIULHQKMP-OKILXGFUSA-N", "SMILES:Nc1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@H]1CC[C@@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUVPKJMJOAUYEQ-GASCZTMLSA-N", "SMILES:Cc1ccc2oc(-c3cn([C@H]4CC[C@@H](N)CC4)c4ncnc(N)c34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4126314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEWQRRQMLENPL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXRXKXCDYDKULJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)N(c1ncc3c(n1)n(C1CCOCC1)c(=O)n3C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZPVYUXKOANKC-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCOCC2)c2nc(N3CCc4cc(F)c(F)cc43)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWBWAHZYTUHBH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCN2c1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVLAUIZZPEWME-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCOCC2)c2nc(N3CCc4ccc([N+](=O)[O-])cc43)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXVMCPNHTIZIGT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCOCC2)c2nc(N3CCc4cc(C(F)(F)F)ccc43)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMWSAMXGOCCAQH-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCOCC2)c2nc(N3CCc4cc(C#N)ccc43)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWRJXVHWGUOFNA-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc2c(c1)CCN2c1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQXQSRHBGZQXPA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)CCN2c1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCFUXZCHSPSLPK-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc[nH]n2)ccc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFFCDKWRGRBLIE-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cn[nH]c2)ccc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWTYOBAIPEENX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ncn(C)n2)ccc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFDDCALWNLJHB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)c(Nc3ncc4c(n3)n(C3CCOCC3)c(=O)n4C)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSUSTOCPPRRBM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)c(Nc3ncc4c(n3)n(C3CCOCC3)c(=O)n4C)cn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMVVTAXPQAHTD-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(C)c(Nc3ncc4c(n3)n(C3CCOCC3)c(=O)n4C)cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVPXCQNHWFWIM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccnc2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXBRISZTSVEHKE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccc(S(C)(=O)=O)c2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYMIJNZHMRUJMG-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C2CCOCC2)c2nc(Nc3ccc(-c4ccc5c(c4)OCO5)nc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJSNSQPNDHUXBM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cn[nH]c2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKYDKVFIWBZMX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnoc2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAOVRQXHQCXPAU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c(C)noc2C)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OURSMIOGDQCIHV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccoc2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYSLGGBCFYMIPF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccco2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFNYAHCCTRTSCZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C)c(Nc3ncc4c(n3)n(C3CCOCC3)c(=O)n4C)cn2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXEKLHDOFWWMIF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccsc2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIBHYXHOKUWTAZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cccs2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWFTMKKTJVWKH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2coc(C=O)c2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMCPDLSBHSGKZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C=O)o2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDKSDPBBGUPQCM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJGKJCRQQREDJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccnn2C)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUVQNSLIJOKAAJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cn(C)nc2C)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVGMBPYDBUSGQW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2C)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPUIUEQYIVQSAT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cn(C)nc2C(F)(F)F)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGSBZTUPBZWZKG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C(C)C)c2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QURIDYLNBFHRKY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C3CC3)c2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQBRQCKPAGPOLL-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C(F)F)c2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZLXJWVMWTZFB-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ccc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLHLNJYGCYVPBA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCQJNPPCYZYHE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(C)c2)cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMOYCSIQQOSJQ-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cnn(C)c2)cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIQCGSWBXZZAPH-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2cnn(C)c2)cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDZLVLXFLMXYLL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)CCN3c2ncc3c(n2)n(C2CCOCC2)c(=O)n3C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZMVYOGIHQYTOV-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(CC1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBABZRDJGLYKKY-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n([C@H]1CCOC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKNUWEALYISYND-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CCCCC1C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOZFKKWFRCQNW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFHVEYPBJNOQM-JRBPCRLRSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n([C@@]13C[C@@H]4C[C@@](C)(C[C@@](C)(C4)C1)C3)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHVVBMLSAOJMDP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CCNCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMEKBWWLVHDINV-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(n2c(=O)n(C)c3cnc(Nc4cnc(-c5cnn(C)c5)cc4C)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMWUBJWLJFQKIU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CCN(S(C)(=O)=O)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILOYPJVZHSVERF-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CCN(C(=O)C3CC3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGCCKXUDTKXYOE-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CCN(S(=O)(=O)C3CC3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTUCNUWMASBFAM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CCN(S(=O)(=O)C(F)(F)F)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURHPLMLWNKYJK-QZTJIDSGSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CCN(C(=O)[C@@H]3C[C@H]3F)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBPAJKGGZKFHP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(C1CCN(C(=O)C3CC3(F)F)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSIZRUYYMIHSBP-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccnn2C)ccc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKODDXZQPGSDIB-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cncnc2)ccc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNWBIPJZOUDGD-UHFFFAOYSA-N", "SMILES:COc1cncc(-c2ccc(Nc3ncc4c(n3)n(C3CCOCC3)c(=O)n4C)c(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGBRPAZMXYYDIR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(Nc3ncc4c(n3)n(C3CCOCC3)c(=O)n4C)c(C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQILOJBCOSATOY-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc3c(c2)OCCO3)ccc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMSZLAKCQZZNK-BIJRFUASSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHZOPFQECFWKCZ-PCPRHZMTSA-N", "SMILES:Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXFFSFTSVNGLT-FHRDGHHOSA-N", "SMILES:C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXFFSFTSVNGLT-MPMYCWHKSA-N", "SMILES:C[C@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGFSGWCFLVNJA-CEVYIAARSA-N", "SMILES:CC1(C)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGGWPBIFGZUZOU-UYKIGKAESA-N", "SMILES:CCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNDNAIQKCQBZRG-MYEXFQPZSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIIZFNKENCGKD-CEVYIAARSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBQLXXRRAXGKA-CEVYIAARSA-N", "SMILES:CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(N)=O)CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMSZLAKCQZZNK-PKLSKMGNSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXXWZBFXHOZRF-BIJRFUASSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CC2CCCCC2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLSZYTBYBRWNMQ-YTSIGKGGSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQHJNWGSCMCFNR-CEVYIAARSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CCc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXPMTHHMJAGEOQ-HFLBTKGNSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N(Cc2ccccc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQLPAOMIOOTHIQ-BIJRFUASSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTOKDFMRVGUBJC-CEVYIAARSA-N", "SMILES:Cc1ccc(C[C@@H]2NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CCCCNC(=O)C[C@H](C(=O)N3CCC[C@H]3C(N)=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFAFNPUTCXCTTH-ZKZHHWRMSA-N", "SMILES:CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODYZDBWDZCMCA-BIJRFUASSA-N", "SMILES:N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZLRRWATGCRUPB-KEZOAJOQSA-N", "SMILES:NC(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXDAWRSNPYCGDV-FQUZAXHOSA-N", "SMILES:NC(=O)CNC(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMGNSRYFCYLDZ-XPLNXOJDSA-N", "SMILES:NC(=O)[C@H]1CCCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIMGNSRYFCYLDZ-CEVYIAARSA-N", "SMILES:NC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOLOJKBDIBQVEL-UHFFFAOYSA-N", "SMILES:O=C1NCCc2ccc(cc2)Nc2ncc(Cl)c(n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5550014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWVVDXRDQZQPOL-UHFFFAOYSA-N", "SMILES:O=C1NCCc2cccc(c2)Nc2ncc(Cl)c(n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSIOUCDPFMVIH-UHFFFAOYSA-N", "SMILES:O=C1NCCCCCNc2ncc(Cl)c(n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXVMAWWNAHHYKH-UHFFFAOYSA-N", "SMILES:O=C1NCCOCCNc2ncc(Cl)c(n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUITYKYHMPZXTM-UHFFFAOYSA-N", "SMILES:O=C1NCCCCCCNc2ncc(Cl)c(n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSWCPQJFTNFMCL-UHFFFAOYSA-N", "SMILES:Cc1cnc2nc1Nc1cc([nH]n1)C(=O)NCCc1ccc(cc1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTJRWVZYZGWEG-UHFFFAOYSA-N", "SMILES:O=C1NCCc2ccc(cc2)Nc2nc(c3ccccc3n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPHRKSXWBMZFEZ-UHFFFAOYSA-N", "SMILES:O=C1NCCc2cccc(c2)Nc2nc(c3ccccc3n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBWKVZHZUZNMJE-UHFFFAOYSA-N", "SMILES:O=C1NCCCCCNc2nc(c3ccccc3n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLCDRNQWAOWURL-UHFFFAOYSA-N", "SMILES:O=C1NCCOCCNc2nc(c3ccccc3n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXYWQMMQXPULN-UHFFFAOYSA-N", "SMILES:O=C1NCCCCCCNc2nc(c3ccccc3n2)Nc2cc1[nH]n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGRSYBHBWCBNSH-NRFANRHFSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AANQUQOXAFJDFZ-NRFANRHFSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPRWZRHEBUTKAF-NRFANRHFSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(Br)cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUYDSPGSSPQGLY-QFIPXVFZSA-N", "SMILES:COc1ccc(N2CCN(C[C@](C)(O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSNCXJCKUNBRIZ-QHCPKHFHSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(C[C@](C)(O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDKWSTBIWILUBT-QFIPXVFZSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIGLJXYMSFHHGQ-NRFANRHFSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSBOHHRCFVOBF-NRFANRHFSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVGHIBVWVTTQH-QFIPXVFZSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C#N)cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKJGMAFDSUMPU-QFIPXVFZSA-N", "SMILES:C[C@](O)(CN1CCN(c2cccc(C#N)c2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NREJNTXWQMOTOW-QFIPXVFZSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccccc2C#N)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUAWRPLKRNQTJW-QFIPXVFZSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C#N)c(F)c2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYTXYULJFPCOQX-QFIPXVFZSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C#N)c(Cl)c2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIKLQJFCFTBOA-QFIPXVFZSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C#N)c(Br)c2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSCUADGZHJWKNJ-QHCPKHFHSA-N", "SMILES:Cc1cc(N2CCN(C[C@](C)(O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQGIOFSHZVEGJB-QHCPKHFHSA-N", "SMILES:COc1cc(N2CCN(C[C@](C)(O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHOWFEVUPZVEKT-NDEPHWFRSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C#N)c(-c3ccccc3)c2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNFBDHHJNVXHC-QFIPXVFZSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZXYBIAPKWNEQV-NRFANRHFSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C#N)nc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODXYEXHPANCNTK-NRFANRHFSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C#N)cn2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYGIUGAVAPBZCF-FQEVSTJZSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C#N)nn2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHJPIFJNLOQBN-FQEVSTJZSA-N", "SMILES:C[C@](O)(CN1CCN(c2cnc(C#N)nc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCXZMMLBTDFDHP-QHCPKHFHSA-N", "SMILES:C[C@](O)(CN1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWCFLIACLBNSGC-QHCPKHFHSA-N", "SMILES:C[C@](O)(CN1CCC(c2ccc(C#N)cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKNFNJHHHFFVQI-NRFANRHFSA-N", "SMILES:C[C@](O)(CN1CC(c2ccc(C#N)cc2)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBASIOYMFZNQGO-QFIPXVFZSA-N", "SMILES:CN(c1ccc(C#N)cc1)C1CN(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKBNVYFUPQQTPJ-QHCPKHFHSA-N", "SMILES:C[C@](O)(CN1CCCN(c2ccc(C#N)cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPQKOZWHCUVAHP-HJPURHCSSA-N", "SMILES:C[C@H]1CN(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXWZAGYKRKDHBJ-HJPURHCSSA-N", "SMILES:C[C@H]1CN(c2ccc(C#N)cc2)CCN1C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBNXMGIRABQBP-QFIPXVFZSA-N", "SMILES:C[C@](O)(CN1CCN(c2ccc(C#N)cc2)C(=O)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSZPBZXLYAZWEV-JTAQYXEDSA-N", "SMILES:C[C@](O)(CN1C[C@@H]2C[C@H]1CN2c1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXOVUSJXHDTJNO-VUNKPPBISA-N", "SMILES:C[C@](O)(CN1CC2CCC(C1)N2c1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAVATFLEVMPVCI-VUNKPPBISA-N", "SMILES:C[C@](O)(CN1C2CCC1CN(c1ccc(C#N)cc1)C2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRAPKPKBLVXLNX-XPJNUEMQSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBOBMPMUVRQAV-XPJNUEMQSA-N", "SMILES:C[C@](O)(CN1C2CC1CN(c1ccc(C#N)cc1)C2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSZQSERKIKPYMT-FGJIOPLASA-N", "SMILES:COc1cc(C#N)ccc1N1C2CCC1CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQDXVJRJWMVUPL-BAWHURIHSA-N", "SMILES:Cc1cc(C#N)ccc1N1C2CCC1CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTFLNERPVAQIGI-MORLXBONSA-N", "SMILES:C[C@](O)(CN1CC2CCC(C1)N2c1ccc(C#N)cc1F)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTZMMURJKVDDJM-BUNACBEFSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1cnc(C#N)nc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJBRYAFNUHHHR-BPZDKFOGSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1ccc(C#N)nn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTPCTNFKKVULQC-KXXGJQBSSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1ccc(C#N)cc1F)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUFWUTDTAQRRHQ-IRZJEQJZSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1ccc(C#N)cc1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYVFCOFSKAKNHX-XPJNUEMQSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRIMFPJZVMPLGD-IRZJEQJZSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1ccc(C#N)cc1)C(=O)Nc1cnc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXHFHSOMCRAPOZ-XPJNUEMQSA-N", "SMILES:Cc1cc(NC(=O)[C@@](C)(O)CN2CC3CC(C2)N3c2ccc(C#N)cc2)cnc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHHBDNHSZFPOS-DHRDCHLVSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1cnc(C#N)nc1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVJUWSFXQQQNRE-LGHDPPOTSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1ccc(C#N)cc1F)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQWJARWEJHUXMH-LGHDPPOTSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1ccc(C#N)cc1Cl)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABZOXHXPRJNBBO-LGHDPPOTSA-N", "SMILES:C[C@](O)(CN1CC2CC(C1)N2c1ccc(C#N)cc1F)C(=O)Nc1cnc(C#N)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL214253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAUZTOZLTFSMIE-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21"], "chembl_natural_product": true}
{"name": "Myelin transcription factor 1", "xref": ["CHEMBL.TARGET:CHEMBL2331044"], "id": "UniProtKB:Q01538", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGGQMRVFAYRPSL-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFCFWFLWKHYDTB-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3cncc3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJGOWJFFRDFGEE-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ccnc3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBFAMJVFJXTAOQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3cnnc3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYZPVDLNIPZCJF-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3noc(C)c3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZGJJHEEQMXDH-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3c(cnc3C(C)(C)O)C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZSZJJTBZOSDT-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ncc(Cl)c3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKTQPLCIPAQCTH-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ncc(C#N)c3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWLQKSJIDBZENC-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ncc(C(F)(F)F)c3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQIJULZDBKKMDV-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nc(C(F)(F)F)cc3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSZLUQMOTCYHTO-UHFFFAOYSA-N", "SMILES:Cc1cc2n(n1)CCN(C(=O)c1c(N)n(-c3c(C)ccc(O)c3C)c3nc(C)c(C)nc13)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLMBDKLIDHCXRV-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3nccnc3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZKCNMPFOPTCFJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3c(cccc3=O)C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICSVTFIDPVJNMA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2c(N)n(-c3c(C)ccc(O)c3C)c3nc(C)c(C)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZKPSPUHBSHOCL-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCS(=O)(=O)CC2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJUCQFPJGCKBQX-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C3CC3)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSTXTVYAWHHXCT-UHFFFAOYSA-N", "SMILES:CC#Cc1nc2c(C(=O)N3CCn4ncnc4C3)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALZOWANVMDHFY-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C3=CCOCC3)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQVPTJNUZOETOA-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C3CCN(C)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNDTVGPOUOXLTI-LJQANCHMSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(N3CCC[C@@H](O)C3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUSDTTAHLDPXMY-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C3CC3)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTBRBTRLCBPEQY-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2ncc(C(F)(F)F)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUNPLBXFZIMEHK-UHFFFAOYSA-N", "SMILES:Cc1ncc2c(C(=O)N3CCn4ncnc4C3)c(N)n(-c3c(C)ccc(O)c3C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVQPEAZXSIHKKO-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ncnc3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWIJMUPUXMYUQJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2cc(Cl)cnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COTPRLDBMSBJQX-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(n1)c(C(=O)N1CCn3nc(C(F)(F)F)nc3C1)c(N)n2-c1c(C)ccc(O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCJCFPWXUBRAII-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nc(C(F)(F)F)nc3C2)c2nc(C)c(C)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSIBOGAVFUGWNZ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)NCc2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVSCCQBVFDDFSY-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)NCc2cccc(-c3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOUSJMBZQMEGPS-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)NCc2cccc(-c3nccs3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXZFQWWXMRMAS-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)NC(C)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKWCIWMFFPFQL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOVQHROFEXXCSK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NCc1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGILFLQLRYSOLS-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXHUUADZYCRLL-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEEUVXYIPMDKLF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(C)=O)cc1C(=O)NC(C)c1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJRZKBSUPPZRIU-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)CC)cc1C(=O)NC(C)c1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSXBVRBZQCXLM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C2CC2)cc1C(=O)NC(C)c1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAXWRWVCPNAAFJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C2CCC2)cc1C(=O)NC(C)c1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJGRXOPWLPMRTM-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1ccc(OCC)c(C(=O)NC(C)c2cccc(-c3nccs3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMOBVTZXJMZWEC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)OC(C)C)cc1C(=O)NC(C)c1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBEIGFYYHMFCCU-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NS(=O)(=O)CC)cc1C(=O)NC(C)c1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFNWKVDEJDLFQB-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUWMLHAMQGRAU-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFVUQLRKZBRQR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NCc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBGQNHPMIMFDB-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAUSCWIDWNDLHZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NCc1cccc(N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJAYMZFFVBXORR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTKLRBUXLAQKDK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(N2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVTYEIYBHHWMJJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(NC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZXNFOMBSPKJHH-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHLBSFOSQRSXOC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NCc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMZCFQLLQIYQU-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NCc1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRGYVRUFNLDEOA-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(OC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGFNKROAVUEZNT-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPSDBJVCUOYSKE-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYZVHLQILPNEMO-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVTZSUJUWYMDU-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNYYSAMEGBUKGS-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1cccc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDDZBPUNWOGFTD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1ccnc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQNLRPKWGOJGB-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1ccnc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JECNRZULJNGXQV-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1ccnc(OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSORMZZEEQFWSM-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NC(C)c1ccnc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKPWASZPZUZRJC-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1Cn1cc(-c2ccc(S(N)(=O)=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUSWTNKZVHYAIX-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1Cn1cc(-c2ccc(C(F)(F)F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKLLPOQHLGNIQO-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1Cn1cc(-c2ccc(F)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVPIYRSGJBQRH-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1Cn1cc(-c2ccc(C)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOFANYOVCITQO-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(Cl)cc1Cn1cc(-c2ccc(C(=O)O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRTABGUVNSHUQV-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-c2cn(Cc3cc(Cl)ccc3OC)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFKHFCNYENBNQS-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1Cn1cc(-c2ccc(C(=O)O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWFDAUDEODDNIJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2cn(Cc3cc(Cl)ccc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXAPNHIJMWFWPM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(Cl)ccc3OC)nn2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUSLAVXWLXKXHV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(Cl)ccc3OC)nn2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOAUSKPQBWIPMM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3ccccc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRLWWWREZCOPM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cccc(Cl)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UISGLIAQOJYMTG-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(Cl)ccc3O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLVOMXSCOOSDFX-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(Cl)cc(OC)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUXSMTXNBVNTMA-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3ccccc3OC(F)F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWGBTIJPAFNKY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(F)ccc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMFXQULBBDVKNG-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(Br)ccc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKXWRGLLOSBNE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(C(F)(F)F)ccc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUIGBBDHABYFCD-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3c(OC)ccc(F)c3F)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQEXOHICHFJMDP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(F)c(F)cc3OC)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUBLPAZNPKXTRN-BJUDXGSMSA-N", "SMILES:COC(=O)c1ccc(-c2cn(Cc3cc(Cl)ccc3O[11CH3])nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQDLJJQZMYAAPU-BJZITVGISA-N", "SMILES:CC1=CC[C@@H]2C[C@H]1[C@H](c1ccnc3ccccc13)NC2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5575320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLUIMYGRBSVIB-BJZITVGISA-N", "SMILES:CC1=CC[C@@H]2C[C@H]1[C@H](c1cccc3ncccc13)NC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHHLSGOOPMLSH-OAGGEKHMSA-N", "SMILES:CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(F)(F)F)cc1)NC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFGLINJVHQFFRW-QRVBRYPASA-N", "SMILES:CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(C)C)cc1)NC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBACCHTZDUJCB-IOASZLSFSA-N", "SMILES:CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(F)(F)F)c(F)c1)NC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAVKAJAAOAJKKE-IOASZLSFSA-N", "SMILES:CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(F)c(C(F)(F)F)c1)NC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOLNYTDXFMAFGT-IOASZLSFSA-N", "SMILES:CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(F)c(F)c1)NC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUJCLFTZQQVDRV-WQVCFCJDSA-N", "SMILES:CC1=CC[C@@H]2C[C@H]1[C@H](c1cc(F)cc(F)c1)NC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLTANAWLDBYGFU-NVHLIWNBSA-N", "SMILES:CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)C34C1C(O)([C@@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5574786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXWKZQAWLIBOLX-UHFFFAOYSA-N", "SMILES:CCNc1cc(C(=O)C2CCCC2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLTIJXDCEGNJEW-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(OC(F)F)c(OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORJBTOMBSAJTJW-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2c1cnn2CCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGRAUAMWPNHZPU-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2nn(CCC(=O)O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQMCCJYDXIUYTE-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2c1cnn2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKEWTBGOFWUFEW-UHFFFAOYSA-N", "SMILES:CCOc1nc(C#N)cc2c1cnn2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALDCISJRJTGEI-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2nn(CCCO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHJUDIXZQFIJDK-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2c1cnn2CC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOWWRYAJOCALBC-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2nn(CC(=O)NO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOUFYEPQXFSACL-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2nn(CCC(=O)NO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFHQYDGMWRQMDR-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2nn(CCCC(=O)NO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKHXLNCMQMSCLK-UHFFFAOYSA-N", "SMILES:CNc1nc(Cl)cc2c1cnn2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEBKSRUZLYYZLY-UHFFFAOYSA-N", "SMILES:COc1nc(Cl)cc2c1cnn2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVTOPRGBEGSUAA-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2c1c(CC)nn2CCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMWZGWSGDQDKLI-UHFFFAOYSA-N", "SMILES:CCOc1nc(Cl)cc2c1c(C(F)(F)F)nn2CCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL982", "category": ["biolink:ChemicalEntity"], "name": "NALMEFENE", "xref": ["InChIKey:WJBLNOPPDWQMCH-MBPVOVBZSA-N", "SMILES:C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"], "synonym": ["Nalmefene", "Nalmefene", "Nalmefene", "Nalmefene", "Nalmefeno", "Nalmefene", "Nalmefene", "Nalmetrene", "JF-1", "JKB-121", "ORF 1167", "ORF 11676", "ORF-1167", "ORF-11676", "SRD-174", "SRD174", "Selincro", "Nalmefene"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5571451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHPKGYUIHSQIE-UHFFFAOYSA-N", "SMILES:O=C(c1cccs1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCPXHWAJYWQMR-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYWWOIUJVDWUNW-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFALWJRSZDUZMB-UHFFFAOYSA-N", "SMILES:Cl.O=C(Cc1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYWXONNRLDYVBU-UHFFFAOYSA-N", "SMILES:Cl.O=C(CCc1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKAYRKIIKMNAP-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccco1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZJFAVKNGIATLF-UHFFFAOYSA-N", "SMILES:Cl.O=C(Cc1ccco1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLDPUFCJVHNZNH-UHFFFAOYSA-N", "SMILES:Cl.O=C(CCc1ccco1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRMYGKHKNQQYJS-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccoc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHZQTABHNTSFF-UHFFFAOYSA-N", "SMILES:Cl.O=C(Cc1ccoc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSMYZAYKUBSGS-UHFFFAOYSA-N", "SMILES:Cl.O=C(CCc1ccoc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMZTYFMMLJHPKN-UHFFFAOYSA-N", "SMILES:Cl.O=C(Cc1cccs1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZRQNXCEEHOHJB-UHFFFAOYSA-N", "SMILES:Cl.O=C(CCc1cccs1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOAWNAFHWYTXKW-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccsc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCWMSNHBJTEPR-UHFFFAOYSA-N", "SMILES:Cl.O=C(Cc1ccsc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVETUNMYUBXSHO-UHFFFAOYSA-N", "SMILES:Cl.O=C(CCc1ccsc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCXIBXBADTBGE-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1ccc[nH]1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIIIMAQIMPSNDS-UHFFFAOYSA-N", "SMILES:Cl.O=C(c1cc[nH]c1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAYQAFPZOGMAA-GOSISDBHSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@H](C)c3ccccc3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAYQAFPZOGMAA-SFHVURJKSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@@H](C)c3ccccc3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBXIBEOJOJDELQ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)NC(C)(C)c3ccccc3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOMDFBNOALBRN-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)NC(C)c3cccc(F)c3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOMDFBNOALBRN-QGZVFWFLSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@H](C)c3cccc(F)c3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPOMDFBNOALBRN-KRWDZBQOSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@@H](C)c3cccc(F)c3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STSUISYBFWXCPP-KRWDZBQOSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@@H](C)c3cccc(Cl)c3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AONQYOFLFYDFEP-SFHVURJKSA-N", "SMILES:COc1cccc([C@H](C)NC(=O)c2cn(C)c3ccc(-c4ccn5nc(NC(=O)C(C)C)nc5c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBYIKVEECKSJI-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)NC(C)c3ccc(F)cc3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBYIKVEECKSJI-KRWDZBQOSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@@H](C)c3ccc(F)cc3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBYIKVEECKSJI-QGZVFWFLSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@H](C)c3ccc(F)cc3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKZWCOXLHIWRFC-SFHVURJKSA-N", "SMILES:COc1ccc([C@H](C)NC(=O)c2cn(C)c3ccc(-c4ccn5nc(NC(=O)C(C)C)nc5c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKZWCOXLHIWRFC-GOSISDBHSA-N", "SMILES:COc1ccc([C@@H](C)NC(=O)c2cn(C)c3ccc(-c4ccn5nc(NC(=O)C(C)C)nc5c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUXHRZQLBLZBO-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)NC(C)c3ccccn3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUXHRZQLBLZBO-KRWDZBQOSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@@H](C)c3ccccn3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUXHRZQLBLZBO-QGZVFWFLSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@H](C)c3ccccn3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETSBXFPWUCVED-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)NC(C)c3cccnc3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZHDJXNATQNZSZ-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)NC(C)c3ccncc3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGJXAALOPPFNCP-VWLOTQADSA-N", "SMILES:CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@H]3CCCc5ccccc53)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKILKXNEZNAICB-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(N)nc4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHXIUIFLQILFX-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQZJIGIOBGFCP-UEDXYCIISA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5(F)F)nc4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRTGLOFRGAZOBF-VSUDMRMVSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)[C@H]5C[C@H]5F)nc4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUXDORKOBFMNEY-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5(F)CC5)nc4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTJXZQZVPUNBNE-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC(F)(F)C5)nc4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOIVYQBPYYARKP-SFHVURJKSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CCC(F)(F)CC5)nc4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQQDXJEQZZSFT-KRWDZBQOSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C(C)(C)CCl)nc4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHXCRBSSGUTIL-INIZCTEOSA-N", "SMILES:COCC(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)N[C@@H](C)c3cccc(F)c3)cn4C)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKXZMZDWXMAKDR-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)cc4n3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKGVUWMOEGCZJR-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccc4nc(NC(=O)C5CC5)cn4n3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXRPMXZSCPRPJ-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccc4nc(NC(=O)C5CC5)nn4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWRGXYULBKCSMK-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLNNOJZIGTICH-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBUOTIVMJSUFBO-INIZCTEOSA-N", "SMILES:C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccc4c(C(=O)NC5CC5)n[nH]c4c3)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJJPZMKAAXKJQ-KRWDZBQOSA-N", "SMILES:CCn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCEOSAVYYMNGSC-SFHVURJKSA-N", "SMILES:CC(C)n1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRWVNYSAQETOJ-SFHVURJKSA-N", "SMILES:CCCn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFHJXTNKFGNHCC-IBGZPJMESA-N", "SMILES:CCCCn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFUCQGXUMLBHOO-IBGZPJMESA-N", "SMILES:CC(C)Cn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTMRVQMZELYNMM-SFHVURJKSA-N", "SMILES:COCCn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUIHQPSLXLTGBC-KRWDZBQOSA-N", "SMILES:CCn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQCESSWTBILNO-SFHVURJKSA-N", "SMILES:CC(C)n1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPJYLHJRAJOAMD-SFHVURJKSA-N", "SMILES:CCCn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:METYSAZOGNFXRX-IBGZPJMESA-N", "SMILES:CCCCn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOXPILCPGVNHBR-IBGZPJMESA-N", "SMILES:CC(C)Cn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABEPGAXTTKFZCX-SFHVURJKSA-N", "SMILES:COCCn1cc(C(=O)N[C@@H](C)c2cccc(F)c2)c2cc(-c3ccc4c(NC(=O)C5CC5)n[nH]c4c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGMKDXQXTMYRAS-JPVKTXQWSA-N", "SMILES:C[C@@H]1CCCN(c2c(/C=C3\\SC(=O)NC3=O)cccc2-c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4467168", "category": ["biolink:ChemicalEntity"], "name": "DAPOLSERTIB", "xref": ["InChIKey:UOUBCIJIWDLRGM-UHFFFAOYSA-N", "SMILES:CC(C)n1c(C2CCNCC2)nc2c([N+](=O)[O-])c(Br)c(Br)cc21"], "synonym": ["Dapolsertib", "Dapolsertib", "Dapolsertib", "Sel 24", "SEL-24", "SEL-24 FREE BASE", "SEL24-B289", "SEL24-B489"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTORCEYGCGXHDH-OVMXCRKPSA-N", "SMILES:C[C@H]1CN(c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CC[C@H]3O)C[C@@H](N)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3975308", "category": ["biolink:ChemicalEntity"], "name": "NUVISERTIB", "xref": ["InChIKey:XRNVABDYQLHODA-JCNLHEQBSA-N", "SMILES:CC(C)(O)[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1"], "synonym": ["Nuvisertib", "Nuvisertib", "Nuvisertib", "Nuvisertib", "Tp-3654", "SGI-9481", "SGI9481", "TP-3654", "TP3654"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1398474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYBXAGDWMCJZJK-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZTYHEBMBDXRNC-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)N(CCC1CCNCC1)c1ccncc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIZNTMOQMLDDF-UHFFFAOYSA-N", "SMILES:NCCN1CCC(CCN2c3ccncc3Oc3ccc(Cl)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVWSBPGVCDKHB-UHFFFAOYSA-N", "SMILES:NCCN1CCN(CCN2c3ccncc3Oc3ccc(Br)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZQOUTXQKHWXKB-UHFFFAOYSA-N", "SMILES:Cc1nc2sc(C(=O)Nc3ccc(F)c(Cl)c3)c(N)c2c(C)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCETYRSSUZEQIB-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(C(=O)c3sc4nc(C)c(Br)c(C)c4c3N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLFFDXNWFUIAIR-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(=O)[nH]c(-c4ccccc4O)nc3c2c(C)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPGGGUXXDZZQF-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(c2c(C)c1Br)NC(c1ccccc1Cl)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYGLGILPTJOEOQ-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(c2c(C)c1Br)NC(c1ccccc1C(F)(F)F)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFGMQJUJVZFHAZ-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(c2c(C)c1Br)NC(c1ccccc1O)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHRKYDNIMONRX-UHFFFAOYSA-N", "SMILES:CC(=O)Cc1nc2c(sc3nc(C)c(Br)c(C)c32)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNMUQQMYCQQIMM-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(=O)[nH]c(C(F)(F)F)nc3c2c(C)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HENQWNTYUAVIOF-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(c2c(C)c1Br)NC(c1ccc(O)c(O)c1)NC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCPQJSQTDYWETG-UHFFFAOYSA-N", "SMILES:COc1cc(C2NC(=O)c3sc4nc(C)c(Br)c(C)c4c3N2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL397641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZDDKQGCFAHRBQ-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2nc(-c3cc(Br)ccc3O)cc(-c3ccccc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABUPGRQGEYNUGI-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2O)cc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLLRGVZAQDAZGE-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccco2)cc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHQFEIDWLWUUSD-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccs2)cc(-c2cc3c(ccc4ccccc43)oc2=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHOAAJNKXNPJL-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cc(O)ccc2O)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVVKHIQECKJDHW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3cc(OC)ccc3O)[nH]c(=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3809691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDQXBYGNFGPJRL-CLZWFORCSA-N", "SMILES:Cc1nc2cccc3c2nc1N[C@H](C)/C=C\\C[C@H]1CNC(=O)c2cc-3[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPKXXVMGORDACP-UHFFFAOYSA-N", "SMILES:CC1NC(=O)c2cc(-c3cccc4c(=O)n(C5(C)CC5)c(NC5(C)CC5)nc34)[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJJQGBLVLDGPGZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc2ccc(Cl)cc2nc1Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWOXNCGPLEIMP-UHFFFAOYSA-N", "SMILES:O=C(O)c1nc2ccc(Br)cc2nc1Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUUYQWHEYJWZHU-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cc3cc(Cl)ccc3nc2N2CCOCC2)cc(-c2cccc(O)c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJLDPAYBLOSNH-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(N3CCOCC3)c(-c3cc(-c4cccc(O)c4)[nH]c(=O)c3C#N)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQILMUTFWLAAX-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(N3CCCCC3)c(-c3cc(-c4cccc(O)c4)[nH]c(=S)c3C#N)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYDIDYCFSCRBM-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cc3ccccc3[nH]c2=O)cc(-c2cccc(O)c2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMUTGAFQMSUSB-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(=O)c(-c3cc(-c4cccc(O)c4)[nH]c(=O)c3C#N)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCIRVAZWPINKP-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cc3ccccc3[nH]c2=O)cc(-c2cccc(O)c2)nc1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZVHFQGMBNTAIV-MXVIHJGJSA-N", "SMILES:Fc1cncc(-c2ccc3[nH]c4ncnc(N[C@H]5CC[C@H](N6CCOCC6)CC5)c4c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHPAVNWBZMSZDE-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1OCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZZLWSUDVNPCST-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRPYPDTDYKDSE-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1OCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDLIBQGXUKELOQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)CSc1nc(-c2ccc(OC)c(OC)c2)cc(-c2ccc(OC)c(OC)c2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALOBSMONMUHARH-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)cc(-c4ccc(O)c(O)c4)c3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXCKENQONCBLHB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)c3c(N)c(C(=O)c4ccc(Br)cc4)sc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAJLFKLQMSBMBP-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)cc(-c4ccc(O)c(O)c4)c3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNKDCMNWMMKCBV-MOSHPQCFSA-N", "SMILES:CN1CCN(c2ccc(-n3cnc4ccc(/C=C5\\SC(=S)NC5=O)cc43)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMNIAUFUJLWSP-PDGQHHTCSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4ccc(/C=C5\\SC(=O)NC5=O)nn34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUCCPIPNBMSAGL-UNOMPAQXSA-N", "SMILES:CCN1CCN(c2ccc(-c3cnc4ccc(/C=C5\\SC(=O)NC5=O)nn34)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIKBSDMSGLIJY-DHDCSXOGSA-N", "SMILES:CN(C)CCNc1cncc(-c2cccc(/C=C3\\SC(=S)NC3=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZFOGLBXKOXECB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cncc(NCCN(C)C)n2)cc1CC1SC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKBRLMFCCUJQA-UHFFFAOYSA-N", "SMILES:CC(C)(C)Nc1nnc(-c2ccc3[nH]cc(-c4nccc(C5CC5)n4)c3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDHNRDNFAPMGP-REZTVBANSA-N", "SMILES:Cc1ccc(C(C)C)c(O)c1/C=N/N=C1\\NC(=O)C(CC(=O)O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACTXCQHXPKCRIZ-IMSXMHJPSA-N", "SMILES:COc1ccc(N2C(=O)C(CC(=O)O)S/C2=N/N=C/c2c(C)ccc(C(C)C)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFZQQBMUCPICOL-XRVWYUAESA-N", "SMILES:Cc1ccc(C(C)C)c(O)c1/C=N/N=C1/SC(CC(=O)O)C(=O)N1c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOMVLWOGBXQYAU-UHFFFAOYSA-N", "SMILES:NC(=O)c1c(O)cc(O)c2c1oc1cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKZRGBUTBINTPD-WUBHUQEYSA-N", "SMILES:CN1CCN(C[C@@H](NC(=O)CC2CNC(=O)c3cc(-c4cccc(Cl)c4)cn32)C2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3935063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVJKXOAMVIRHV-KRWDZBQOSA-N", "SMILES:Cc1cccc(-c2c(-c3cccc(OC(F)(F)F)c3)cc3n2[C@@H](CCN)CNC3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJBDVWJMRSHUFX-CJGXPUDKSA-N", "SMILES:COc1ccc(/C=C/C(=N)/C=C2/C(=O)Nc3cc(Br)ccc32)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5584147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDOZORFKMSIFP-QHHAFSJGSA-N", "SMILES:COc1ccc(/C=C/C(=O)CC2(O)C(=O)Nc3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGWXTXMXVIFIMG-XQUFAZJDSA-N", "SMILES:COc1ccc(/C=C/C(=O)/C=C2/C(=O)Nc3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSJSUQKRPXMKFM-HTEVKJSXSA-N", "SMILES:COc1ccc(/C=C/C(/C=C2/C(=O)Nc3cc(Br)ccc32)=N/O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLFALTJGQKVXJK-FKEKPDDDSA-N", "SMILES:N[C@H]1CC[C@@H](Nc2cncc(-c3cccc(CC4SC(=O)NC4=O)c3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQHWWYDCVBLHAR-KSVBBAIVSA-N", "SMILES:NC1CCc2cc(Cl)ccc2-n2c1nnc2[C@H]1CC[C@H](Oc2ccccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCDWCOXUBUYDI-HTICZQJRSA-N", "SMILES:NC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNQZGZALFWHWGN-JTQDMSAYSA-N", "SMILES:CNC1CCc2nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n2-c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJWQNPWTSUWKLO-DZYZLUEUSA-N", "SMILES:CNC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHBVOCULECNODA-IDAQTIHDSA-N", "SMILES:CN(C)C1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAQZCVTUKRQRY-WQUIYQLNSA-N", "SMILES:CC(C)NC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEILYUZRMOWBBX-KTXPCHDKSA-N", "SMILES:Clc1ccc2c(c1)CC(NC1COC1)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAFORZKUCBMFDX-BCHSRONZSA-N", "SMILES:Clc1ccc2c(c1)CC(NC1CCOCC1)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMGGLUAQOVSMJ-BCHSRONZSA-N", "SMILES:FC1(F)CCC(NC2Cc3cc(Cl)ccc3-n3c(nnc3[C@H]3CC[C@H](Oc4ccccn4)CC3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARAWUKFPWQNTFG-IMVGXKCNSA-N", "SMILES:NCC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MURTYQGTYQDEBX-NCRIQYHFSA-N", "SMILES:CC(C)NCC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGHQAYVZDTUTCS-KKUOWXDVSA-N", "SMILES:CN(C)CC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQRNLJQQBQUBGH-DVXFSSKHSA-N", "SMILES:CN1CCN(CC2Cc3cc(Cl)ccc3-n3c(nnc3[C@H]3CC[C@H](Oc4ccccn4)CC3)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISKCROHZUSXEFV-XKWIUIDOSA-N", "SMILES:Clc1ccc2c(c1)CC(CN1CCOCC1)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJGYJOGSRMYFBQ-SXKCCWGOSA-N", "SMILES:Clc1ccc2c(c1)CC(CNC1CCOCC1)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAQZCVTUKRQRY-DUXKGJEZSA-N", "SMILES:CC(C)N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAQZCVTUKRQRY-YYWHXJBOSA-N", "SMILES:CC(C)N[C@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCDWCOXUBUYDI-ZTFGCOKTSA-N", "SMILES:N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCDWCOXUBUYDI-WBAXXEDZSA-N", "SMILES:N[C@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVRITMGTSIYDJQ-NSISKUIASA-N", "SMILES:CCN[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLOQMNNGNPKUTE-NSISKUIASA-N", "SMILES:CC(=O)N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDROPNZHUKFOHR-MAODMQOUSA-N", "SMILES:O=C(N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHRXYLMMQXTQB-ZPMCFJSWSA-N", "SMILES:O=C(N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLXCHPHPLTYVKS-SXSPYAJSSA-N", "SMILES:O=C(N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRNXBUJKWSULK-DUXKGJEZSA-N", "SMILES:CC(C)(C)C(=O)N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVTNKWRIIRDTBP-NSISKUIASA-N", "SMILES:CC(C)(O)C(=O)N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNHGDHMRDUGHAZ-ZTFGCOKTSA-N", "SMILES:O=C(N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGHJVLOGXMDDNT-NSISKUIASA-N", "SMILES:N#CCC(=O)N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQHLPSASLXOQMS-WQUIYQLNSA-N", "SMILES:CN(C)CC(=O)NC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUGIWHMVJZCTMX-STZQEDGTSA-N", "SMILES:CN(C)CCC(=O)N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSDJOMPHPTUCN-WQUIYQLNSA-N", "SMILES:CC(C)NC1Cc2cc(Br)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZSCZFHGIMBWEO-CTTUZFCVSA-N", "SMILES:Cc1ccc2c(c1)CC(NC(C)C)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZXHBKVZIFAONO-WQUIYQLNSA-N", "SMILES:CC(C)NC1Cc2cc(F)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSAINJJAJATWLV-UVXAETBJSA-N", "SMILES:CC(C)NC1Cc2ccccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUNSNSDJHVNQZ-UVXAETBJSA-N", "SMILES:COc1ccc2c(c1)CC(NC(C)C)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPUDQBPOJFRKLB-WQUIYQLNSA-N", "SMILES:CC(C)NC1Cc2cc(C(F)(F)F)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGKAFAGGZDIEJ-CTTUZFCVSA-N", "SMILES:CC(C)NC1Cc2cc(C#N)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFXCGLFTXRJJLT-RUCARUNLSA-N", "SMILES:Clc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFCWKHWJTILAHF-RUCARUNLSA-N", "SMILES:Brc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRMAMCICWJNASI-KESTWPANSA-N", "SMILES:Cc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDYHPRAFGLGJSO-RUCARUNLSA-N", "SMILES:Fc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGUOXWECDPHKX-UAPYVXQJSA-N", "SMILES:c1ccc(O[C@H]2CC[C@H](c3nnc4n3-c3ccccc3CC3(C4)OCCO3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQOXSPEIBDNNE-UAPYVXQJSA-N", "SMILES:COc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBCFFDWVVZONT-RUCARUNLSA-N", "SMILES:FC(F)(F)c1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGGWQCBPSCVIG-KESTWPANSA-N", "SMILES:N#Cc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFXCGLFTXRJJLT-UWUNEBHHSA-N", "SMILES:Clc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@@H](Oc5ccccn5)CC4)n3-2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSIXQATFTUNGS-MQMHXKEQSA-N", "SMILES:FC(F)(F)[C@H]1CC[C@H](c2nnc3n2-c2ccc(Cl)cc2CC2(C3)OCCO2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCZHCQFYUJUJF-OYOVHJISSA-N", "SMILES:CO[C@]1(C)CC[C@@H](c2nnc3n2-c2ccc(Cl)cc2CC2(C3)OCCO2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVMCMSPTEBIBOR-QAQDUYKDSA-N", "SMILES:O=C([C@H]1CC[C@H](c2nnc3n2-c2ccc(Cl)cc2CC2(C3)OCCO2)CC1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNXVCMPWEJYOGO-RUCARUNLSA-N", "SMILES:Clc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](N5CCOCC5)CC4)n3-2)OCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRLSOGKVAMCRJ-IRJFHVNHSA-N", "SMILES:Clc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUJAKXZXLBAOG-XGAFWQRZSA-N", "SMILES:Clc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCCCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQPSUGKVBVSVOW-FPEFRKQASA-N", "SMILES:Clc1ccc2c(c1)CC1(CCOC1)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVNYWTLIUKPJGZ-XGAFWQRZSA-N", "SMILES:Clc1ccc2c(c1)CC1(CCOCC1)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFHAXLWSVRKLS-KQAFIPIZSA-N", "SMILES:Clc1ccc2c(c1)CC1(CCCOC1)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHIQMBSQIFIQKQ-PPUGGXLSSA-N", "SMILES:O=C1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVRJCQREJAPSI-ATZDWAIDSA-N", "SMILES:CO[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVRJCQREJAPSI-SNRMKQJTSA-N", "SMILES:CO[C@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBWUVRUWLCZIU-IMVGXKCNSA-N", "SMILES:OCC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBWUVRUWLCZIU-GPMSIDNRSA-N", "SMILES:OC[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBWUVRUWLCZIU-BXWFABGCSA-N", "SMILES:OC[C@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOEMUNCWURFVTK-VXMCLGGDSA-N", "SMILES:COCC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPMIUFHDQUNNG-GPMSIDNRSA-N", "SMILES:FC[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPMIUFHDQUNNG-BXWFABGCSA-N", "SMILES:FC[C@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLNOSMJAMABNMK-UHFFFAOYSA-N", "SMILES:CCOc1ncc2cc(-c3ccc4c(c3)N3CCCC3CO4)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILOORJBAWCAGSO-UHFFFAOYSA-N", "SMILES:CCCCCCCCCC(C)CCC(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQYNAQANODCSRC-GHXNOFRVSA-N", "SMILES:O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQEOTHADPCPUCE-SDQBBNPISA-N", "SMILES:O=C1/C(=C/c2ccc(F)c(F)c2)Oc2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSRQNZXISFCCAM-CLTKARDFSA-N", "SMILES:O=C1/C(=C/c2c(F)c(F)c(F)c(F)c2F)Oc2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONYYMEFJDOEKKB-WZUFQYTHSA-N", "SMILES:O=C1/C(=C/c2cc(O)c(O)c(O)c2)Oc2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYQMMNWIYRLONV-YHYXMXQVSA-N", "SMILES:O=C1/C(=C/c2ccc(O)c(O)c2O)Oc2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MONKQUYJMSPYAB-GHXNOFRVSA-N", "SMILES:O=C1/C(=C/c2ccc(O)cc2)Oc2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHSWLOFDSPFBEE-GHXNOFRVSA-N", "SMILES:O=C1/C(=C/c2cccc(O)c2)Oc2c1ccc(O)c2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWSJIIZLUFMFM-DAFODLJHSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5568623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYUBYHGDUPOTPG-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4092149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVHDOCPXBGEYRE-XVNBXDOJSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDYMKBSHGVBTIX-GQCTYLIASA-N", "SMILES:O=C(/C=C/c1cccc(O)c1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZWHUXBMWCNSU-HNQUOIGGSA-N", "SMILES:O=C(/C=C/c1cc(O)cc(O)c1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUCAYUAHAWBNR-HNQUOIGGSA-N", "SMILES:O=C(/C=C/c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL129510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHKVOYUYPYZFHJ-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL341135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPERCWWUZZKHCL-LREOWRDNSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL126669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZCFLOPLJCNJKN-GQCTYLIASA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1966973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMJNGPIIYAZDIH-HNQUOIGGSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127409", "category": ["biolink:ChemicalEntity"], "name": "3,4,2',4',6'-PENTAHYDROXYCHALCONE", "xref": ["InChIKey:CRBYNQCDRNZCNX-DUXPYHPUSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5542169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGEBIFXTKLZRPE-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)cc1C1CC(c2ccco2)=NN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL83598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKTYJVAICSKHB-UHFFFAOYSA-N", "SMILES:O=C1C(=Cc2ccc(O)c(O)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUUKDQETCEEJZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCNCc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGSXFYWPBZXCDI-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNCc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQIXROAJOYSJE-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNCc2cccc(OCc3ccccc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVJBWDWEMFRJOI-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNCc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSJYPBOUOWWJIF-UHFFFAOYSA-N", "SMILES:C=CCN(CCc1ccc(O)cc1)Cc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLMOQYVBLRUYDZ-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(CCN(CC=C)Cc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVJAAOQRLYSOSE-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(CCNCc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PITGQRKFJHYWAE-UHFFFAOYSA-N", "SMILES:c1ccc(CNCc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMAAVIQHPHREI-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCc2cccc(OCc3ccccc3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSBLBCZNTMVPKE-UHFFFAOYSA-N", "SMILES:c1ccc(CCNCc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYYEJUJRZEPHD-UHFFFAOYSA-N", "SMILES:c1ccc(CCCNCc2cccc(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJXUTSRXYADSN-UHFFFAOYSA-N", "SMILES:CC(CNCc1cccc(OCc2ccccc2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKGBFKACRAKZJH-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXCLSDCPXVYMHW-UHFFFAOYSA-N", "SMILES:CCN(CCc1ccccc1)Cc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXAWRXWNQAIVCR-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccccc1)Cc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUNWARHOZCCFH-UHFFFAOYSA-N", "SMILES:C=CCN(CCc1ccccc1)Cc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQONDQHVMZZIT-UHFFFAOYSA-N", "SMILES:CCN(CCCc1ccccc1)Cc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEKMZHOUJRXEQX-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1ccccc1)Cc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZUNWQHVHAYJZ-UHFFFAOYSA-N", "SMILES:C=CCN(CCCc1ccccc1)Cc1cccc(OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCTMTEDRYZVOOJ-UHFFFAOYSA-N", "SMILES:Oc1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTLUKUDSAHASHY-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNCc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICPHQCJQLMAFAI-UHFFFAOYSA-N", "SMILES:COc1cccc(CCNCc2ccc(OCc3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1419000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVFAYFYLYCUCM-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMNRMXCKMIXJL-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMQIIHDPGYQULF-UHFFFAOYSA-N", "SMILES:CCCN(CCc1ccc(O)cc1)Cc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL82015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDWWEWUMDPELDN-UHFFFAOYSA-N", "SMILES:c1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMFDQTBZMDBZMV-UHFFFAOYSA-N", "SMILES:c1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSQIMVNNPSFULM-UHFFFAOYSA-N", "SMILES:c1ccc(CCCNCc2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMDBKXHEJUFCME-UHFFFAOYSA-N", "SMILES:c1ccc(CCCCNCc2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPTLIAPODWEWAL-UHFFFAOYSA-N", "SMILES:CC(CNCc1ccc(OCc2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBYQEYJSPPQQGK-UHFFFAOYSA-N", "SMILES:CC(CCc1ccccc1)NCc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1617648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASXJYXZVDASYGU-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGJNCVMSRKCSX-UHFFFAOYSA-N", "SMILES:CCCN(CCCc1ccccc1)Cc1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJPZBDBCUSNGGH-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(OCc2ccccc2)cc1)C(C)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDDCVCJSDHNBFF-UHFFFAOYSA-N", "SMILES:CCCN(Cc1ccc(OCc2ccccc2)cc1)C(C)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDWWDSYSGICDFU-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(CCN(CC=C)Cc2ccc(OC)c(OCc3ccccc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHONTIFVNPJZCU-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCCc2ccc(O)cc2)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSYKXOWTUMKWGT-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCc2ccc(O)cc2)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LECHLXCQZIFYMJ-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(C(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYQZXYVKFLXFN-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cccc(Br)c2)cc2oc(=O)c(CC(=O)O)c(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMRPSSARHHAROT-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cccc(I)c2)cc2oc(=O)c(CC(=O)O)c(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIOOVNYRXIBTHO-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cccc(C(F)(F)F)c2)cc2oc(=O)c(CC(=O)O)c(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRZUWAFUVKBRJO-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2cccc(C(F)F)c2)cc2oc(=O)c(CC(=O)O)c(C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTUBQQAFIHRFN-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(Cl)c(OCc3cccc(Br)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJFKHHAVKLXNB-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(Cl)c(OCc3cccc(I)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIPFOPLEVTYCR-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(Cl)c(OCc3cccc(C(F)(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUZGZBYPEOYXLR-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(Cl)c(OCc3cccc(C(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNNYZBHLAJXCD-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(Br)c(OCc3cccc(Br)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJEHHMWXOHJYGN-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(Br)c(OCc3cccc(I)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVOORNLILUVEDX-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(Br)c(OCc3cccc(C(F)(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQFNZAKWYSJRQY-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(Br)c(OCc3cccc(C(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHTCCTYHTCTNSH-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(F)c(OCc3cccc(Br)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFBDZCDVKXAKOT-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(F)c(OCc3cccc(I)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFSGBKZVWYTZBN-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(F)c(OCc3cccc(C(F)(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBOSVYLIHBQAQ-UHFFFAOYSA-N", "SMILES:Cc1c(CC(=O)O)c(=O)oc2c(F)c(OCc3cccc(C(F)F)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKHKGXARZRHDR-DQNSRKNCSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CSP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJKYPWHGNIXWCL-BOHWMMLXSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CSP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEEIKNZPSOMCEF-HNZKXKKDSA-N", "SMILES:CCN(CC)CC.CCN(CC)CC.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CSP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSKTUVIGOURLB-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1nc(C(F)(F)F)c(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQMLDVSESSGJKV-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1nc(C(F)(F)F)c(-c2csc(Nc3cc(C(=O)O)cc(C(F)(F)F)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLBDHNRPSORQL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C(F)(F)F)cs2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCTFFCHXWNZWFD-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)Nc1nc(C(F)(F)F)c(-c2csc(Nc3cccc(C(=O)O)c3)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVQJOXMENFQLEJ-BYEXWZDHSA-N", "SMILES:CN1C(=O)[C@@]2(c3cc(Cl)ccc31)[C@H](C(=O)NC(C)(C)C)[C@H]1c3ccc([N+](=O)[O-])cc3C(=O)[C@H]1[C@@H]2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQEKJQTURHCAPB-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccccc2)CC1)c1cnc2ncccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKQLAGSNYHIOC-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ncccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOVOFWNRSSBRIT-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ncccn2)CC1)c1cnc2ncccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBGRRQWJGCZMOL-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(C(=O)N2CCN(CC(=O)c3cnc4ncccn34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDEVMTUKCBWGCE-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(c2ccco2)CC1)c1cnc2ncccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSBDNTSHORGKPO-UHFFFAOYSA-N", "SMILES:O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cnc2ncccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRHMYMNVSIWQRI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)N2CCN(CC(=O)c3cnc4ncccn34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNLZQFQAXUUUMT-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(CC(=O)c3cnc4ncccn34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CANXYTABZMTGGM-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1N1CCN(CC(=O)c2cnc3ncccn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGXHNIYTQIMPQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CC(=O)c2cnc3ncccn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNRJVASEOUYOEP-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc(-c3cn4cccnc4n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1459582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNORHLFOJIFIDA-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cn3cccnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1499883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXPRTYODRQWLLM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn3cccnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1495645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZWNMPVRUFGZKY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn3cccnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAJKPUYIDWFCPG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2cn3cccnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIFDKFKATMRVRY-UHFFFAOYSA-M", "SMILES:O=C([O-])c1ccccc1Nc1c(Cl)cccc1Cl.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACMGZGZILMYAIP-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCC2)cnn1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTBDGLBGDIJDAH-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCCC2)cnn1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUGWOSZNCGIGAC-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCC2)cnn1CC(=O)Nc1ccn2cc(-c3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRQRONUMXLSHEU-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CCC2)cnn1C(=O)Nc1ccn2cc(-c3ccc(Cl)s3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWZMOGGEYEPFB-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCc2cocn2)cnn1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBZCSPDHVIFCKO-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NCc2c[nH]cn2)cnn1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCYYXPAYOVDVQL-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)N2CC=CC2)cnn1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNNIETJPABXETR-UHFFFAOYSA-M", "SMILES:CC(C)(C(=O)[O-])C(=O)N(O)Cc1ccccc1Cl.[K+]"]}
{"name": "1-deoxy-D-xylulose-5-phosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL3559646"], "id": "UniProtKB:Q4QKG6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:281310"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2289499", "category": ["biolink:ChemicalEntity"], "name": "KETOCLOMAZONE", "xref": ["InChIKey:WPSHDIROLRLHJR-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)ON(Cc2ccccc2Cl)C1=O"]}
{"name": "1-deoxy-D-xylulose-5-phosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL3217381"], "id": "UniProtKB:P77488", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAAIZXGEHWKMNP-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)ON(Cc2ccccc2F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCBBXIJPHMMCS-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)ON(Cc2ccccc2Br)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPVKXIZBLRJEP-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)ON(Cc2ccc(Cl)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CONAGGKHKOOGSG-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)ON(Cc2ccc(Br)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSCVJAXGMRXIM-UHFFFAOYSA-M", "SMILES:CC(C)(C(=O)[O-])C(=O)N(O)Cc1ccccc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKJOPLQNPBKPC-UHFFFAOYSA-M", "SMILES:CC(C)(C(=O)[O-])C(=O)N(O)Cc1ccccc1F.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTBBNFRIEHDNST-UHFFFAOYSA-M", "SMILES:CC(C)(C(=O)[O-])C(=O)N(O)Cc1ccccc1Br.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWUJUYAUOIMBU-UHFFFAOYSA-M", "SMILES:CC(C)(C(=O)[O-])C(=O)N(O)Cc1ccc(Cl)cc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUGPEEHGARCEFT-UHFFFAOYSA-M", "SMILES:CC(C)(C(=O)[O-])C(=O)N(O)Cc1ccc(F)cc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKDSVFJHOGJGKP-UHFFFAOYSA-M", "SMILES:CC(C)(C(=O)[O-])C(=O)N(O)Cc1ccc(Br)cc1.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOAUJKWMJQCZBU-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)ON(Cc2ccc(F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAYMOVBTONMWTP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)oc2ncnc(Oc3ccc(NC(=O)Nc4ccc(C)c(Cl)c4)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXCDGIJGHSUDRX-AMFSKMFESA-N", "SMILES:N=c1c2cc(-c3ccccc3)oc2ncn1/N=C/c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVRZFCMLFWKZNU-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2oc(C)c(C(=O)NN)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOLLGMOCJMWPMB-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2oc(C)c(C(=O)NN)c2c(=O)n1-c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXPJUIJCTVGIEZ-UHFFFAOYSA-N", "SMILES:CCCNc1nc2oc(C)c(C(=O)NNC(=O)c3cc4ccccc4oc3=O)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQFDKOGASODFTE-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2oc(C)c(C(=O)NNC(=O)c3cc4ccccc4oc3=O)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBPDTIORMGQOAP-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2oc(C)c(C(=O)NNC(=O)c3cc4ccccc4oc3=O)c2c(=O)n1-c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJYQWIPWIPERRX-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc2oc(C)c(C(=O)NNC(=O)c3cc4ccccc4oc3=O)c2c(=O)n1-c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHKMOASTPGELOE-UHFFFAOYSA-N", "SMILES:CCCCNc1nc2oc(C)c(C(=O)NNC(=O)c3cc4ccccc4oc3=O)c2c(=O)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKDSVJNXMPLTBE-UHFFFAOYSA-N", "SMILES:Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)B(O)OC3)cc1"]}
{"name": "Leucine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL4295595"], "id": "UniProtKB:Q2FXH2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQEGKRZVOBTSBV-UHFFFAOYSA-N", "SMILES:CCOc1cccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HITVSGIRXHVLBQ-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3C)c(C)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQEMJTVBSHSJNA-UHFFFAOYSA-N", "SMILES:C=CCOc1cccc2nc(N3CCCC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAOILJOQEQTGLJ-JKSUJKDBSA-N", "SMILES:CN1C[C@H](Nc2nc3ccn(C)c3c(=O)n2C)C[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4471748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRIBEBYKWORBGC-LSDHHAIUSA-N", "SMILES:CN1C[C@H](Nc2nc3cc[nH]c3c(=O)n2C)C[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4449143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUFVCUSKHSXTFY-LEWJYISDSA-N", "SMILES:CN1C[C@H](Nc2nc3cc[nH]c3c(=O)n2C)C[C@H](c2ccc(OCc3ccccc3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBDJDKAXIGWAIM-XZOQPEGZSA-N", "SMILES:C=CCn1c(N[C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)CN(C)C2)nc2cc[nH]c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNFTXRKDTYKEM-GJPUVDBCSA-N", "SMILES:CN(C)C(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)/C(C#N)=C/c1ccccc1P(C)(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYVFIOWSRVWJLN-GHRIWEEISA-N", "SMILES:CP(C)(=O)c1ccccc1/C=C(\\C#N)C(=O)NCCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHIBLDJVDSQXQY-GHRIWEEISA-N", "SMILES:CP(C)(=O)c1ccccc1/C=C(\\C#N)C(=O)NCCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQUHNPAMXGLCNA-FOWTUZBSSA-N", "SMILES:CP(C)(=O)c1ccccc1/C=C(\\C#N)C(=O)NCCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUIHYIYXXKXATI-NBVRZTHBSA-N", "SMILES:CP(C)(=O)c1ccccc1/C=C(\\C#N)C(=O)NCC1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMAUAIOHGJMUIU-GHRIWEEISA-N", "SMILES:CP(C)(=O)c1ccccc1/C=C(\\C#N)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAGGOXHFASXHPU-JWGURIENSA-N", "SMILES:CN(C)c1ccc(/C=C2\\N=C(c3ccccc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUOORTRJUJFXON-BWAHOGKJSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccccc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQWEGHEZRQLHQ-JCMHNJIXSA-N", "SMILES:CN(C)c1ccc(/C=C2\\N=C(c3ccc(Cl)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDISVXWMSQAZEW-JCMHNJIXSA-N", "SMILES:CN(C)c1ccc(/C=C2\\N=C(c3ccc(Cl)cc3)N(c3ccc(S(=O)(=O)NC(=N)N)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCSPWTVVKBTHW-UQQQWYQISA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccc(Cl)cc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGOXSOFTQUEFJR-ULJHMMPZSA-N", "SMILES:CN(C)c1ccc(/C=C2\\N=C(c3ccc(Cl)cc3)N(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIGELZLQOBMQG-BWAHOGKJSA-N", "SMILES:CN(C)c1ccc(/C=C2\\N=C(c3ccc(Cl)cc3)N(c3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFJJFULZQPBARZ-BRPDVVIDSA-N", "SMILES:CN(C)c1ccc(/C=C2\\N=C(c3ccccc3)N(c3ccc(C(=O)OCC(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWJXARUPJKRXGM-CEUNXORHSA-N", "SMILES:CN(C)c1ccc(/C=C2\\N=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)OCC(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVLTUTSBHLZYNM-YQYKVWLJSA-N", "SMILES:CN(C)c1ccc(/C=C2\\N=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)OCC(=O)Nc4ccc(S(=O)(=O)Nc5nccs5)cc4)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQTYYYNDNQUIQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(Cl)c1)Nc1nc2ccc([N+](=O)[O-])cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDYHLDIRRCTDLO-FQEVSTJZSA-N", "SMILES:CC[C@](C)(N)c1ccnc(Nc2cc3cc(-c4cnnn4C)nc(N)c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKPHDNFRPHLLFL-NRFANRHFSA-N", "SMILES:CC[C@](C)(N)c1cc(Nc2cc3cc(-c4cnnn4C)nc(N)c3cn2)ncc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNIWQMULSQLKR-NRFANRHFSA-N", "SMILES:CC[C@](C)(NC)c1ccnc(Nc2cc3cc(-c4cnnn4C)nc(N)c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNIWQMULSQLKR-OAQYLSRUSA-N", "SMILES:CC[C@@](C)(NC)c1ccnc(Nc2cc3cc(-c4cnnn4C)nc(N)c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIXIHDQYZXUDMX-FQEVSTJZSA-N", "SMILES:CN[C@H](c1ccnc(Nc2cc3cc(-c4cnnn4C)nc(N)c3cn2)c1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGVZDEHNFRKEHO-HNNXBMFYSA-N", "SMILES:CC[C@H](NC)c1ccnc(Nc2cc3cc(-c4cnnn4C)nc(N)c3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCMSSFWQNBGPNE-UHFFFAOYSA-N", "SMILES:Nc1cc(OC(F)(F)F)ccc1C(=O)N1CCC(c2c(F)cnc3[nH]c(C4CCOCC4)nc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUDTFADHFDWNN-UHFFFAOYSA-N", "SMILES:COC12CC(c3nc4c(C5CCN(C(=O)c6ccc(OC(F)(F)F)cc6)CC5)c(F)cnc4[nH]3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFZLBZHEJVZECE-UHFFFAOYSA-N", "SMILES:COC12CC(c3nc4c(C5CCN(C(=O)c6ccc(OC(F)(F)F)cc6N)CC5)c(F)cnc4[nH]3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXADXFEINTISP-SAABIXHNSA-N", "SMILES:CO[C@H]1CC[C@H](c2nc3c(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)c(F)cnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHWIYXAOILIRIP-UHFFFAOYSA-N", "SMILES:COC(C)(C)c1nc2c(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4N)CC3)c(F)cnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOHZWUDJHXSKKD-WKILWMFISA-N", "SMILES:CO[C@H]1CC[C@H](c2nc3c(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5N)CC4)c(F)cnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEAMCLKHBPMBQU-LSBAASHUSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)OC(c3ccccc3)c3ccccc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYYFKOVDQSZBC-NHKCCNDQSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMOPRQMXQVOCDN-WSHBUQBJSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPPNQXVIFIFFS-MUTMVCIVSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPHZVNJEMAWASC-MUTMVCIVSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)C(Oc3ccc(Cl)cc3)Oc3ccc(Cl)cc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNRAIBVQLJTVJV-QCOJBMJGSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORYUCPUSJBIZKT-QCOJBMJGSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)[C@H](CC3CCCCC3)NC(=O)OCc3ccccc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUXEYBNEOAQPK-ULQDDVLXSA-N", "SMILES:CC(C)(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFSKVRJAMDGLJL-ATIWLJMLSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)OCc3cccnc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSLWFCPNUYXSE-ATIWLJMLSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)N(C(=O)OCc3cccnc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNQTYQUKKFJVNX-AFDCHOCNSA-N", "SMILES:CC(C)(C)C[C@H](NC(=O)[C@@H]1CC[C@@H]1c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYGHVYLHBGINFY-LWYYNNOASA-N", "SMILES:CC(C)(C)C[C@H](NC(=O)N1CC[C@@H]1c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVYKBGLNUZDRV-QYXZOKGRSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)N(C(=O)[C@@H](NC(=O)C(F)(F)F)c3ccc(Cl)cc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEECFZSCCBXVAE-GINZOMEDSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)N(C(=O)[C@@H](NC(=O)C(F)(F)F)c3ccc(Cl)c(Cl)c3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANVXLKZDCQEBM-OAHLLOKOSA-N", "SMILES:Cc1cccc(CC2(C(=O)N[C@@H]3CCN(C)C3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKTCRDVAYVVPPY-GJZGRUSLSA-N", "SMILES:Cc1cccc(CC2(C(=O)N[C@H]3CCNC[C@@H]3F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXCUWULJAVSKD-WFASDCNBSA-N", "SMILES:C[C@H]1CNCC[C@@H]1NC(=O)C1(Cc2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVGBNFJDCGUKO-WFASDCNBSA-N", "SMILES:C[C@H]1CNCC[C@@H]1NC(=O)C(C)(C)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHDYNXKHVPUMA-JQWIXIFHSA-N", "SMILES:C[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPNXJNYMFNXLOS-GJZGRUSLSA-N", "SMILES:Cc1cc(CC2(C(=O)N[C@H]3CCNC[C@@H]3F)CC2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKOPNKGPBJIKFH-BBRMVZONSA-N", "SMILES:C[C@H]1CN(C)CC[C@@H]1NC(=O)C1(Cc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFGMKAFLEMTIMG-NSHDSACASA-N", "SMILES:O=C(N[C@H]1CNCC12CC2)C(F)(F)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNKYRXMSMXONIQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC12CC2)C(F)(F)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYKUYPQRUATFLJ-AAEUAGOBSA-N", "SMILES:Cc1cccc(OC(F)(F)C(=O)N[C@H]2CCNC[C@@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMIYGEKCPSTVIE-CNSWMUILSA-N", "SMILES:CC(Oc1ccccc1C1CC1)C(=O)N[C@H]1CCNC[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDIMWAUYVXIED-CABZTGNLSA-N", "SMILES:C[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)Oc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLEQTDCLDZZLLW-FPTDNZKUSA-N", "SMILES:CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYLSDXOSCGRBN-RTWAWAEBSA-N", "SMILES:CO[C@H](c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2sc(C)nc12)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYLSDXOSCGRBN-SFTDATJTSA-N", "SMILES:CO[C@@H](c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2sc(C)nc12)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLEQTDCLDZZLLW-PEBXRYMYSA-N", "SMILES:CO[C@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRRMPWOUOGBQSJ-PEBXRYMYSA-N", "SMILES:CO[C@H](C)c1c(Nc2ccc([C@@H](C(F)F)N(C)C(=O)C3CCS(=O)(=O)CC3)cc2)cnc2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCFHHIUPNCQECG-RBZFPXEDSA-N", "SMILES:CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2sc(C(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUTBBLPIIYWSRL-PKTZIBPZSA-N", "SMILES:CO[C@H](c1c(Nc2ccc([C@H](N(C)C(=O)C3CCN(C(C)=O)CC3)C(F)(F)F)cc2)cnc2sc(C)nc12)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAUPXGPKMHFQBI-LMKMVOKYSA-N", "SMILES:CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCN(C(=O)CCO)CC3)C(F)(F)F)cc2)cnc2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJJRZEJSNBQEKZ-HXKVFGNASA-N", "SMILES:CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCN(C(=O)[C@H](O)CO)CC3)C(F)(F)F)cc2)cnc2sc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGDWPJCTTRNTSX-XZOQPEGZSA-N", "SMILES:CO[C@H](c1c(Nc2ccc([C@@H](C(F)F)N(C)C(=O)C3CCN(C(=O)CO)CC3)cc2)cnc2sc(C)nc12)C(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXQUNCSHYZASLA-XZOQPEGZSA-N", "SMILES:CO[C@H](c1c(Nc2ccc([C@@H](C(F)F)N(C)C(=O)C3CCN(C(=O)CO)CC3)cc2)cnc2sc(C)nc12)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPRMUQOELARAJA-ZSEKCTLFSA-N", "SMILES:Cc1nc2c([C@H](C)C(F)(F)F)c(Nc3ccc([C@H](N(C)C(=O)C4CCS(=O)(=O)CC4)C(F)(F)F)cc3)cnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAEHQGURMDTNHJ-UHFFFAOYSA-N", "SMILES:CSc1nc(C)cc(N2CC3(CC3)c3cnc(NC(C)=O)cc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZBGDZWDRMBCN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C)nc(C2CCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIKAZZDENSZNNY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1nc(C2CCOC2)c(C)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPAWSJLCWQQKIN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cccc(S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNNBXESHTKYARR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(NC2CCSC2)nc(C(C)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWLMIGIZMXIQDC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(-c2ncn(C)n2)nc(C(C)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLZEDCQVKSJTE-QFIPXVFZSA-N", "SMILES:Cc1c(NC(=O)c2ccc(CNCCCO)cn2)cccc1-c1cccc(NC(=O)c2ccc(CN[C@@H](C)CO)cn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLMVYWVXLURSSE-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1cccc(NC(=O)c2ccc(CNCCCNS(C)(=O)=O)cn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKAVYVGLAAPJW-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1cccc(NC(=O)c2ccc(CNCCCNS(C)(=O)=O)cn2)c1C.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJMWVVMHJXVIHA-CYBMUJFWSA-N", "SMILES:Cn1nc(O[C@H](c2ccccc2)C(F)F)c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKUGSRNIXHTGR-GFCCVEGCSA-N", "SMILES:Cn1nc(O[C@H](c2ccccn2)C(F)F)c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEDFSVXCPPBBCM-GFCCVEGCSA-N", "SMILES:Cn1nc(O[C@H](c2ccc(F)cn2)C(F)F)c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYYLRGWNEVABAV-CYBMUJFWSA-N", "SMILES:Cc1cccc([C@@H](Oc2nn(C)c3nnc(-c4c[nH]c(=O)[nH]c4=O)cc23)C(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKXWZRRSCDXDEY-VIFPVBQESA-N", "SMILES:Cc1nc([C@H](C)Oc2nn(C)c3nnc(-c4c[nH]c(=O)[nH]c4=O)cc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLYVGRKDWVWLJ-JTQLQIEISA-N", "SMILES:Cc1cccc([C@H](C)Oc2nn(C)c3nnc(-c4c[nH]c(=O)[nH]c4=O)cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDUSXNXRYOAZDW-IHPCNDPISA-N", "SMILES:CS(=O)(=O)C[C@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)N[C@H](C#N)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZIHGHEWITDKK-HOJAQTOUSA-N", "SMILES:CS(=O)(=O)C[C@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)N[C@H](C#N)COCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEABYIRGFHCTJN-STQMWFEESA-N", "SMILES:CS(=O)(=O)C[C@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFHSSOHMKVQRGY-AABGKKOBSA-N", "SMILES:CS(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)N[C@H](C#N)COCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBOZUMOKFHNMQI-STQMWFEESA-N", "SMILES:CS(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPABFCYXHFZOSL-SDHOMARFSA-N", "SMILES:N#C[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVCLAGLKLLAPTO-DSITVLBTSA-N", "SMILES:N#C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRDPVWRAPYBTP-ROUUACIJSA-N", "SMILES:N#CC1(NC(=O)[C@H](CC2CCCCC2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL153239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYZRWQQCYFNLZ-VXKWHMMOSA-N", "SMILES:N#C[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL347111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJQLFLWVFCIAV-YADHBBJMSA-N", "SMILES:N#C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTVJJOGOYUWJE-HNNXBMFYSA-N", "SMILES:N#CC1(NC(=O)[C@H](CC2CCCCC2)NC(=O)N2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAMMKXQAIPRGQ-GOTSBHOMSA-N", "SMILES:N#C[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZHAMMSCJANXDB-PKTZIBPZSA-N", "SMILES:N#C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOTIXMXMSOCSOD-INIZCTEOSA-N", "SMILES:N#CC1(NC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJQFYOTZQBZYDB-GOTSBHOMSA-N", "SMILES:N#C[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL356155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCYCUZLVAKSGIR-PKTZIBPZSA-N", "SMILES:N#C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQAIVBNVYATZJA-INIZCTEOSA-N", "SMILES:N#CC1(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccncc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXCXONRLKKHITM-YADHBBJMSA-N", "SMILES:O=C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYQJYHTSZHIHG-NSOVKSMOSA-N", "SMILES:O=C(CS(=O)(=O)c1ccccc1)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMWXYUHYSBCVJI-OGLZRHOBSA-N", "SMILES:O=C(N/N=C/[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTQPZUUCHXBFM-CTIFCZGASA-N", "SMILES:O=C(N/N=C(\\CS(=O)(=O)c1ccccc1)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZCCDLSPIHGPC-NSOVKSMOSA-N", "SMILES:O=C(OCC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBBBFEAWYMKPLS-NSOVKSMOSA-N", "SMILES:O=C(SCC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNUGWHPANVBLEO-VXKWHMMOSA-N", "SMILES:O=C(CO)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJHXNYYVDYPJK-VXKWHMMOSA-N", "SMILES:O=C(CCl)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNIMXKBSFHTCBW-GOTSBHOMSA-N", "SMILES:C=CS(=O)(=O)C(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBXZUZMMJWRMHW-HASMHHLCSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGQVOUXABZGON-QRAVFQSKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWLMXNWDGYFJBU-RUFLQCBPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZNWRFCPPFAZIQ-NZVUMHJXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQOGUCAYRQZDEE-LJMWFQQTSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLCRJGGGDVVHEZ-IVSOCFHWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCIXPLSMRUUJC-IYBFNMOPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAFMILZYQMTMO-BJJZXGEGSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSRPQGWBKLMOGQ-YWTNPKNRSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QURLLKLSIZBPAL-OHCABJLWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHUJAHLXOFEHTD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(C3CC3)c(Cl)c2)cc2c1C(N1CC(C)(O)C1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOCHQOBIBFMLTO-UHFFFAOYSA-N", "SMILES:Cc1cc(CCc2c(Cl)cccc2Cl)cc2c1C(N1CC(C)(O)C1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNAJUKUYPJSJAL-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2c(Cl)cccc2Cl)ccc2c1CCC2N1CC(C)(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGKUDLVOCWLDG-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CC(c3c(Cl)cccc3Cl)C2)cc(C)c1CN1CC(C)(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSXVVWMRFAMKQF-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CC(c3c(Cl)cccc3Cl)C2)c(C)cc1CN1CC(C)(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBKHTLJBLOGSAD-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2CC(C)(O)C2)cc(C)c1N1CC(c2c(Cl)cccc2Cl)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUYUWBEGSYTEC-FWIWLVIWSA-N", "SMILES:CC(C)(C)CC[C@H](NC(=O)c1ccc(Oc2cccc(OCCOCCOCCOCCOCCOCCOCCNC(=O)CCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)nc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPVADPGEKUBFD-MIPIYVSPSA-N", "SMILES:C[C@@H]1CN(c2ncc(-c3ccc4c(n3)N(Cc3cccnc3C#N)C(C)(C)C4=O)cn2)CCN1C(=O)COCCCCCCCCNC(=O)c1cccc(Oc2ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)O)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQLUJKPVWNITB-IMISZUIDSA-N", "SMILES:C[C@@H]1CN(c2ncc(-c3ccc4c(n3)N(Cc3cccnc3C#N)C(C)(C)C4=O)cn2)CCN1C(=O)CNC(=O)CCCCCCCCCNC(=O)c1cccc(Oc2ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)O)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTWWAGGGGNLGG-IKJNGIHHSA-N", "SMILES:C[C@@H]1CN(c2ncc(-c3ccc4c(n3)N(Cc3cccnc3C#N)C(C)(C)C4=O)cn2)CCN1C(=O)COCCCCNC(=O)c1cccc(Oc2ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)O)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYWPTZMBCVKIFH-QLKFWGTOSA-N", "SMILES:CC(C)(C)CC[C@H](NC(=O)c1ccc(Oc2cccc(C(=O)NCCOCCOCCOCCOCCOCCOc3ncc(-c4ccc5c(n4)N(Cc4cccnc4C#N)C(C)(C)C5=O)cn3)c2)nc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUAHTPRUPPSYTP-QLKFWGTOSA-N", "SMILES:CC(C)(C)CC[C@H](NC(=O)c1ccc(Oc2cccc(C(=O)NCCOCCOCCOCCOCCOCCNc3ncc(-c4ccc5c(n4)N(Cc4cccnc4C#N)C(C)(C)C5=O)cn3)c2)nc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUFPMPDJZLQHLR-UHFFFAOYSA-N", "SMILES:CC(=O)CCCOc1cccc2c1C(=O)c1c(OCCCC(C)=O)cc(NC(=O)CCl)cc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZLBBQYAQRWAD-CQSZACIVSA-N", "SMILES:CC(=O)N1CCN(c2cc3c(N[C@H](C)c4cccc(C(F)F)c4F)ccnc3cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIXIFXDTGSNYLW-VVFVXTANSA-N", "SMILES:CCCCC/C=C\\[C@H](C)/C=C\\C/C=C\\C/C=C\\CCCC(=O)OC(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIXIFXDTGSNYLW-QUMJFYJXSA-N", "SMILES:CCCCC/C=C\\[C@@H](C)/C=C\\C/C=C\\C/C=C\\CCCC(=O)OC(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UALQGVFKHLQMKV-PGLRJTKFSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\[C@H](C)/C=C\\CCCC(=O)OC(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UALQGVFKHLQMKV-AHAZDQFESA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\[C@@H](C)/C=C\\CCCC(=O)OC(CO)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGHDTEOXCASCRK-UGAOPGRHSA-N", "SMILES:COc1ccc2c(c1CC(=O)O)Oc1c(ccc(OC)c1CC(=O)N1[C@H](c3cc([N+](=O)[O-])cc(OC)c3OCC(=O)O)N(C)C(=O)[C@@H]1C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOMWYPGWNGTFQR-HSVJZKSBSA-N", "SMILES:CCOC(=O)COc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)Cc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXIRLGMYNOXUBK-MWOWJKGTSA-N", "SMILES:COc1ccc2c(c1CC(=O)O)Oc1c(ccc(OC)c1CC(=O)N1[C@@H](C)C(=O)N[C@H]1c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLVOFPHFCRHAS-USXNREEHSA-N", "SMILES:CCN1C(=O)[C@H](C)N(C(=O)Cc2c(OC)ccc3c2Oc2c(ccc(OC)c2CC(=O)O)C3(C)C)[C@@H]1c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAYAWTZDVKNPA-MGBGTMOVSA-N", "SMILES:COc1ccc2c(c1CC(=O)O)Oc1c(ccc(OC)c1CC(=O)N1CC(=O)N(C)[C@H]1c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFPHYTDIVOOSTI-YUYWZBKDSA-N", "SMILES:CC[C@H]1C(=O)N(C)[C@@H](c2cc([N+](=O)[O-])cc(OC)c2OCC(=O)O)N1C(=O)Cc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSVXODZAAUHDB-RTHCMUBDSA-N", "SMILES:CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)Cc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTLNEHIFIWCDA-KUNJGFBQSA-N", "SMILES:CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)COc1ccc2ccc(OC)c(CC(=O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXFXIABIHSVJII-DEXQXJORSA-N", "SMILES:CCOc1ccc2ccc(OCC(=O)N3[C@H](c4cc([N+](=O)[O-])cc(OC)c4OCC)N(C)C(=O)[C@@H]3C)nc2c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHVRAFSNLPWBRM-PGGUUEOZSA-N", "SMILES:CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)COc1ccc2cc(F)c(OC)c(CC(=O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHPAPCXOIHBQQ-PGGUUEOZSA-N", "SMILES:CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)COc1ccc2cc3c(c(CC(=O)O)c2n1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWMORJBWVIOWLK-PGGUUEOZSA-N", "SMILES:CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)COc1ccc2c(Br)cc(OC)c(CC(=O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLVJGWYSALLLCH-OHZJNBGDSA-N", "SMILES:CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)COc1ccc2c(C#N)cc(OC)c(CC(=O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMPAUEYGBUIXOO-FZEVHQGJSA-N", "SMILES:CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)COc1ccc2c(N3CCOCC3)cc(OC)c(CC(=O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDYGWGFAOSXCGD-PGGUUEOZSA-N", "SMILES:CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)COc1cc(Cl)c2ccc(OC)c(CC(=O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYUAFZQMPRNAQC-PGGUUEOZSA-N", "SMILES:CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)COc1nc2c(CC(=O)O)c(OC)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVZKPOQMQVSPI-DRKIFQHWSA-N", "SMILES:CCOc1ccc([N+](=O)[O-])cc1[C@@H]1c2ccccc2[C@H](C)N1C(=O)COc1ccc2ccc(OC)c(CC(=O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVMANWDLYSAEPI-ZOKDDAQRSA-N", "SMILES:COc1cc([N+](=O)[O-])cc([C@H]2N(C(=O)COc3ccc4ccc(OC)c(CC(=O)O)c4n3)[C@@H](C)c3cccc(=O)n32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFREUZGPARRRF-ADKRDUOOSA-N", "SMILES:COc1ccc2ccc(OCC(=O)N3[C@@H](C)c4cccc(=O)n4[C@H]3c3cc([N+](=O)[O-])ccc3C)nc2c1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGVIUBNPSNSTP-GPWHBBDMSA-N", "SMILES:CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(CC)C(=O)[C@H](C)N1C(=O)Cc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGHDTEOXCASCRK-GTOJURISSA-N", "SMILES:COc1ccc2c(c1CC(=O)O)Oc1c(ccc(OC)c1CC(=O)N1[C@@H](C)C(=O)N(C)[C@@H]1c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVZYYPXIAWQHH-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NOC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYIFSNJHUSAJN-QGMBQPNBSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O/N=C/c2ccccc2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICISNUSOAPGDIO-CNHKJKLMSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O/N=C/c2cccc(O)c2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTISXIPINXGRG-FBCYGCLPSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O/N=C/c2cccc(Cl)c2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHLVCBVYULZFJA-CNHKJKLMSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O/N=C/c2cccc([N+](=O)[O-])c2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTSSRCLUKIZJHM-FBCYGCLPSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O/N=C/c2ccccc2F)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GODKSMIAYMONRS-DNTJNYDQSA-N", "SMILES:N#Cc1ccccc1/C=N/OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKRUFZWCXUXRY-BRJLIKDPSA-N", "SMILES:NS(=O)(=O)c1cc(C(=O)O/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAFLBPCOVBWMGO-DNTJNYDQSA-N", "SMILES:COc1cccc(OC)c1/C=N/OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSKJEIYVCFBVQJ-ODCIPOBUSA-N", "SMILES:COc1ccc(/C=N/OC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMJQEXOCDFLDPJ-DNTJNYDQSA-N", "SMILES:C/C(=N\\OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5555149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQARFHATCQXCON-DNTJNYDQSA-N", "SMILES:C/C(=N\\OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJKDHAGGJFEMAU-DNTJNYDQSA-N", "SMILES:C/C(=N\\OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPVVOZJWDJNDA-UHFFFAOYSA-N", "SMILES:CC(C)=NOC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHWQEVJXPKGRZ-IBGZPJMESA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCQWMNORLFPSL-LBPRGKRZSA-N", "SMILES:CS(=O)(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5075183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNARYQXFCXLNZ-AWEZNQCLSA-N", "SMILES:O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJVUINYHZXGMP-AWEZNQCLSA-N", "SMILES:O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYSMZKMKHXTHII-HNNXBMFYSA-N", "SMILES:CCCCS(=O)(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLPCCKZXZHMEF-ZDUSSCGKSA-N", "SMILES:O=C1O[C@@H](CNS(=O)(=O)C2CC2)CN1c1ccc(N2CCOCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2337836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMEBHGQLSVPSIQ-AWEZNQCLSA-N", "SMILES:O=C1O[C@@H](CNS(=O)(=O)c2cccs2)CN1c1ccc(N2CCOCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSQJGSKVSZRJK-ZDUSSCGKSA-N", "SMILES:CCS(=O)(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOWXICICPFHLU-CYBMUJFWSA-N", "SMILES:O=C1O[C@H](Cn2ccnn2)CN1c1ccc(N2CCOCC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWPDHGQEUYUEHB-XYPUQJIVSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHDPSOSSGWTTE-JPRYDEJLSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEUSYZGKWKFVMA-NGTAMTFRSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIKMQDXFLBMBFL-NGTAMTFRSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVJIQHITUMPHG-FSJACQRISA-N", "SMILES:CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)N(C)C(=O)Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVHCPNZFABDRJP-WPMUBMLPSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWAYUVBHLEBSC-UNHORJANSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGCFFPLCJLOQB-LBBUGJAGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)Cc1cccs1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUIHOSJQWGMJDV-XLAHBAAGSA-N", "SMILES:CN(C(=O)CCc1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSACDHYVVZXCEM-ONMKOUKZSA-N", "SMILES:CN(C(=O)CCc1cccnc1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZARBMGYPZSBSC-XLAHBAAGSA-N", "SMILES:CN(C(=O)CCC1CCCCC1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMDYOFVLQTYNOK-ZAYJPNLOSA-N", "SMILES:CN(C(=O)CCc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLOZDCETULNJP-JPRYDEJLSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDVSMOWLWAWIOU-JPRYDEJLSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNORMCURSCYOS-BGBFCPIGSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJVYSRPTRZMOC-SKGSPYGFSA-N", "SMILES:C=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLQOVMDYDWTNAG-BGBFCPIGSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZYQCEXEQRBTTQ-XYPUQJIVSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANPMYNYGMMZIQJ-XYPUQJIVSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNEKGYAMODRQCF-LTLCPEALSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCZQRUPQOHRMDG-YDPTYEFTSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDWGBYCLOGIMA-YUIPBYEFSA-N", "SMILES:CN(C(=O)Cc1cccs1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZKZEACHUUZJGQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BREGSCPEIFIJLA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEYYYCSDPLBOJT-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc3ccccc3cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPXBGRGZMCSQGJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWLZANNIFUJSCQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYLFSWLLQSPZNL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWOVGSWVLYHLAK-UHFFFAOYSA-N", "SMILES:Cc1ccnc(N2CCCCC2)c1C(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPGMWCAXZBZRU-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CCCCC2)c(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFRKSAQNKOMJW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(N2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTXWCQFCFPJMPE-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(N2CCCCC2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPYZAMFCYCCFKS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVZQZAFZNOIRV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2N2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFLLOVLNLMZAQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWQBHQKZENGCNL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJOZAFBTZDKVTI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCC3(CC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOLLRUKRDBGIE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC3(CC2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFFPZDLJIKAVIG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCC(F)(F)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXLBIFPWORSXMK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCC(F)(F)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBMVDPKUTSNRBM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)n(Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJVPCLKSPEEOC-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1nc2ccccc2nc1N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWGMFUQAQVAWKV-VVOJOOEHSA-N", "SMILES:CC(C)(C)n1cc(-c2ccc3cn([C@H]4CC[C@H](CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYJSCNPDAGSJKI-CIEDQVTBSA-N", "SMILES:O=C(NC[C@H]1CC[C@H](n2cc3ccc(-c4cnn(C5CC5)c4)cc3n2)CC1)c1cc(F)c(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWIASFCXGPXAFM-QUWSVYMGSA-N", "SMILES:O=C(NC[C@H]1CC[C@H](n2cc3ccc(-c4cnn(C(F)F)c4)cc3n2)CC1)c1cc(F)c(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEXKLQAFKJFAAL-UKIBZPOASA-N", "SMILES:O=C(NC[C@H]1CC[C@H](n2cc3ccc(-c4cnn5c4CCC5)cc3n2)CC1)c1cc(F)c(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFOVFSDLJULDBL-PPUGGXLSSA-N", "SMILES:Cn1cc(-c2ccc3cn([C@H]4CC[C@H](CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)c(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLMAUODTKRUJRF-VVOJOOEHSA-N", "SMILES:N#Cc1ccccc1-c1ccc2cn([C@H]3CC[C@H](CNC(=O)c4cc(F)c(O)c(F)c4)CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZRYZZCLOMGOV-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2ccc(N3CCNCC3)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXDPPSAURJUIH-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2ccc(N3CCNCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKAKSFVINDWSEZ-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2ccc(N3CCOCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOMOSJFRBLISD-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nccc(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAUVGWZEHNGPFI-VXKWHMMOSA-N", "SMILES:OCCN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2ncc(F)c(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJQRKZHARCWDH-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCC(c2ccc(Nc3nccc(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUQUBDXLGAPBGS-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2cnn(C3CCNCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATWJOSDBVRWRHS-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDKWYDYDKPGCRN-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVTZPZOUYBJNEW-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1ccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDNFFZUHFOQNRQ-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(Nc2nccc(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYJXMEVBZJEXMO-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc4nc(N5CCCC5)ncc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOCCIJUVHIYNCB-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1ccc(Nc2nccc(-c3ccc4nc(N5CCOCC5)ncc4c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQQVOEIHXDPVKH-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3nc(N4CCOCC4)ncc3c2)nc(Nc2ccc(N3CCNCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEJBHCXBMUJRI-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3nc(N4CCOCC4)ncc3c2)nc(Nc2cnn(C3CCNCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHQYMFOEOWUTJB-UHFFFAOYSA-N", "SMILES:OCCN1CCC(n2cc(Nc3ncc(F)c(-c4ccc5nc(N6CCOCC6)ncc5c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHQYOYCEANHCQU-GOTSBHOMSA-N", "SMILES:COC(=O)N1CCC(c2ccc(Nc3nccc(-c4ccc5nc(N6C[C@@H]7C[C@H]6CO7)ncc5c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVSEVMXAIJHKO-ZEQRLZLVSA-N", "SMILES:OCCN1CCC(c2ccc(Nc3nccc(-c4ccc5nc(N6C[C@@H]7C[C@H]6CO7)ncc5c4)n3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSRIVIHNAJIJD-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCCCn1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4072110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLFQWYGPMPBUKG-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc(-n2[se]c3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDZQQCWFHOHIY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2[se]c3ccccc3c2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDVZWQWXVJBAAN-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPSQLCZYZKPHK-UHFFFAOYSA-N", "SMILES:CSc1nnc(-n2[se]c3ccccc3c2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSUQUPPOOUDBF-ZDUSSCGKSA-N", "SMILES:COC(=O)[C@H](C)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFXASAFVUQVGEW-GOSISDBHSA-N", "SMILES:COC(=O)[C@H](NC(=O)c1cn(CCCCCF)c2ccccc12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWVBDLDSADHIQ-HNNXBMFYSA-N", "SMILES:COC(=O)[C@H](CO)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWONOJIJAQHCPC-DYVFJYSZSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1cn(CCCCCF)c2ccccc12)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWONOJIJAQHCPC-SUMWQHHRSA-N", "SMILES:COC(=O)[C@H](NC(=O)c1cn(CCCCCF)c2ccccc12)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWVJSVREKYGOE-SFHVURJKSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVABTORJKXCKT-SFHVURJKSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZVABTORJKXCKT-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](CC(C)C)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USRIDQGNNQPOHX-KXBFYZLASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)c1cn(CCCCCF)c2ccccc12)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USRIDQGNNQPOHX-DNVCBOLYSA-N", "SMILES:CC[C@@H](C)[C@@H](NC(=O)c1cn(CCCCCF)c2ccccc12)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSUEEBESACQDV-SFHVURJKSA-N", "SMILES:COC(=O)[C@H](NC(=O)c1cn(CCCCCF)c2ccccc12)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGBNOYVLYYYCZ-NRFANRHFSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZGBNOYVLYYYCZ-OAQYLSRUSA-N", "SMILES:COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSICYBUDESSOGV-NRFANRHFSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLIVMHPUVNUDJ-KRWDZBQOSA-N", "SMILES:COC(=O)[C@H](CCSC)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLIVMHPUVNUDJ-QGZVFWFLSA-N", "SMILES:COC(=O)[C@@H](CCSC)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLAHYDBTYVLVBS-MRXNPFEDSA-N", "SMILES:COC(=O)[C@@H](CCC(N)=O)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSUQUPPOOUDBF-CYBMUJFWSA-N", "SMILES:COC(=O)[C@@H](C)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSTDFWAADKCXJV-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](CCCCN)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLAHYDBTYVLVBS-INIZCTEOSA-N", "SMILES:COC(=O)[C@H](CCC(N)=O)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORICYAMJYBRKQ-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWVBDLDSADHIQ-OAHLLOKOSA-N", "SMILES:COC(=O)[C@@H](CO)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSICYBUDESSOGV-OAQYLSRUSA-N", "SMILES:COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cn(CCCCCF)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFXASAFVUQVGEW-SFHVURJKSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1cn(CCCCCF)c2ccccc12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSUEEBESACQDV-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1cn(CCCCCF)c2ccccc12)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3764816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGQMRYQVZSGDQ-HOTGVXAUSA-N", "SMILES:Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWGQMRYQVZSGDQ-UHFFFAOYSA-N", "SMILES:Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPAYJCCUAJKHG-UHFFFAOYSA-N", "SMILES:CC1=C(NCc2ccc(C(=O)Nc3ccccc3N)cc2)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCPIPQMBJSDFZ-UHFFFAOYSA-N", "SMILES:CC1=C(NCCCCNC(=O)CS)C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDHHCLFSROUNQW-OFWBYEQRSA-N", "SMILES:O=C1/C(=C/c2cn(CCN3CCCCC3)c3ccccc23)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFHXPKPSRDGFGL-USHMODERSA-N", "SMILES:CN(C)CCCn1cc(/C=C2\\Oc3cc(OCCN4CCCCC4)ccc3C2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRWAXNMDLBGHG-BRPDVVIDSA-N", "SMILES:O=C1/C(=C/c2cn(CCN3CCOCC3)c3ccccc23)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUECBKYSEHTWTO-UCQKPKSFSA-N", "SMILES:O=C1/C(=C/c2c[nH]c3ccccc23)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDKMTABPOGCPW-DIBXZPPDSA-N", "SMILES:O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTDVKQKZRITQC-STZFKDTASA-N", "SMILES:O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSMMNTNOHVZXET-BKUYFWCQSA-N", "SMILES:O=C1/C(=C/c2ccc(F)c(F)c2)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQAILLJHFCDEIU-STZFKDTASA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCNAXCCDFGBARO-UQQQWYQISA-N", "SMILES:O=C1/C(=C/c2cccc3ccccc23)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1807491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVPNDADRDUDMC-NVNXTCNLSA-N", "SMILES:COc1ccc2c(c1)O/C(=C\\c1ccc(O)cc1)C2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3416639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFLDOESXEQQPLB-STZFKDTASA-N", "SMILES:O=C1/C(=C/c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLNRZOSGUYHIR-MOSHPQCFSA-N", "SMILES:O=C1/C(=C/c2cccc(Cl)c2Cl)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJMYEJYVBGLEQ-MTJSOVHGSA-N", "SMILES:O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGDOSECJRUGWKX-USHMODERSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJZPOROEZRXKJY-USHMODERSA-N", "SMILES:O=C1/C(=C/c2cccc(OCc3ccccc3)c2)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3545932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFBRTQRRXIXHPM-JCMHNJIXSA-N", "SMILES:COc1ccccc1/C=C1\\Oc2cc(OCCN3CCCCC3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJILBDXTQWXWRF-STZFKDTASA-N", "SMILES:O=C1/C(=C/c2ccccc2F)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKCZACXBNSROZ-HAHDFKILSA-N", "SMILES:O=C1/C(=C/c2ccc3c(c2)CCO3)Oc2cc(OCCN3CCCCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJDXGMDUEUZCMA-APSNUPSMSA-N", "SMILES:O=C1/C(=C/c2c[nH]c3ccccc23)Oc2cc(O)ccc21"], "chembl_natural_product": true}
{"name": "Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2", "xref": ["CHEMBL.TARGET:CHEMBL2331062"], "id": "UniProtKB:Q9WVR3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNZDRMDAMHRDHM-UHFFFAOYSA-N", "SMILES:CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAAURHOVFFNAO-UHFFFAOYSA-N", "SMILES:CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(Cc2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUVWIPWKEWECPJ-UHFFFAOYSA-N", "SMILES:CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUEBINIIYPEXAU-UHFFFAOYSA-N", "SMILES:CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2N)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLXBJYRWWOPAOU-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccc(N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGRKMHPVLBNQLV-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2nc(-c3ccccc3N)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVRQICJWIZHEA-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(-c2nc(C)no2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKNKTJZXYZQKD-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(-c2nc(-c3ccccc3)no2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJAGXVKDODROGA-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3-c3nc(-c4ccccc4)no3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWSOSHGQGWFKKE-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(-n3cc(COc4ccccc4-c4nc(-c5ccccc5)no4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USPOVWSTNSBZKM-UHFFFAOYSA-N", "SMILES:CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)=NNC(=O)COc1ccccc1-c1nc(-c2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDYXLZCWSJKLCM-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(-n3cc(COc4ccccc4-c4nc(Cc5ccccc5)no4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAWSHFBYAYGQLT-UHFFFAOYSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(-n3cc(COc4ccccc4-c4nc(-c5ccc(C(F)(F)F)cc5)no4)nn3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRYCFKARJJETI-UHFFFAOYSA-N", "SMILES:CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)=NNC(=O)COc1ccccc1-c1nc(Cc2ccccc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYUWUZNGUBBOMI-IBGZPJMESA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3ccc(-c4noc([C@@H]5CCCN5)n4)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDBLJMBCXCALCK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(C3CCN(Cc4ccccc4Cl)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGUPPEMKMYNARL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(Cn3cc(Cn4c5ccccc5c(=O)c5ccccc54)nn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSTBDQQOGIXUHJ-UHFFFAOYSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(OCCNCCCCCCN)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLHBQMBSEZIRAO-UHFFFAOYSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(OCCNCCCCCCNC(=O)CCC2=[N+]3C(C=C2)Cc2c(C)cc(C)n2[B-]3(F)F)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGAUVTQAUJHRRF-UHFFFAOYSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(OCCNCCCCCCNC(=O)CCCCCNC(=O)CSc2c(Cl)c(Cl)c(C(=O)O)c(C3=c4cc5c(c(S(=O)(=O)O)c4Oc4c3cc3c(c4S(=O)(=O)O)NC(C)(C)CC3C)=NC(C)(C)CC5C)c2Cl)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDTYHCFOJQYKU-LUUCGMNYSA-N", "SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)/C(=C/c2ccc(OC)c(O)c2)c2cc(OC)c(OC)c(OC)c2)cc1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCXRUIWAQYILRO-SMWXEBSISA-N", "SMILES:CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCC(=O)Oc2cc(/C=C\\c3cc(OC)c(OC)c(OC)c3)ccc2OC)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1835923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJVCYPPUACVBA-BULFRSBZSA-N", "SMILES:C[C@H]1Cc2cc(F)ccc2S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFKSXFTUEDJJKI-BELIEFIBSA-N", "SMILES:CC(C)(C)[C@H]1Cc2cc(F)ccc2S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQFBBZIDAFEVPA-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1N1C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLPUJFWOUGXNPD-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2c(=O)n1N1C(=O)c2ccccc2S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJDSZALOAPOBHT-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c3c(cccc13)S(=O)(=O)NC2c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONFGQBYCOWYPJ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c3c(cccc13)S(=O)(=O)NC2c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQHMFXZCQFFWKO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2NS(=O)(=O)c3cccc4c(N(C)C)ccc2c34)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAHOWKGDVTTXED-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c3c(cccc13)S(=O)(=O)NC2c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDPOGBMPJNTBX-UHFFFAOYSA-N", "SMILES:CSc1ccc(C2NS(=O)(=O)c3cccc4c(N(C)C)ccc2c34)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMUMVDROXAUWIO-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c3c(cccc13)S(=O)(=O)NC2c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCCHQPAEZRYIGV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c3c(cccc13)S(=O)(=O)NC2c1cc(Cl)cc(Cl)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GERILKHELPCZKW-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2c3c(cccc13)S(=O)(=O)NC2c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFDDEOGVFLXBA-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1NS(=O)(=O)c2cccc3c(N(C)C)ccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFZPHZBIFZGWCP-UHFFFAOYSA-N", "SMILES:COc1cc(C2NS(=O)(=O)c3cccc4c(N(C)C)ccc2c34)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSBQVKCJPOFSC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NS(=O)(=O)c3cccc4c(N(C)C)ccc2c34)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADPYHOYMLSCAFL-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NS(=O)(=O)c3cccc4c(N(C)C)ccc2c34)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNZHBHDYJMJRBP-UHFFFAOYSA-N", "SMILES:COc1cc(Br)c(C2NS(=O)(=O)c3cccc4c(N(C)C)ccc2c34)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMULYEZYDUFFOB-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NS(=O)(=O)c3cccc4c(N(C)C)ccc2c34)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVCXUWWKONKLBL-GOSISDBHSA-N", "SMILES:COc1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL101789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJDUGZISLIDRA-QGZVFWFLSA-N", "SMILES:O=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAIMUZSIIGFZOG-HXUWFJFHSA-N", "SMILES:CC(C)(C)c1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL322433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVAYQDCPVGCOHV-MRXNPFEDSA-N", "SMILES:O=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYCLIOUFNYKPIW-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(C)CNS2(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXJCGSRHUNKMY-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1S(=O)(=O)NCC2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXLJESUFUWFCPX-UHFFFAOYSA-N", "SMILES:CC1CNS(=O)(=O)c2ccc(C(F)(F)F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCNJZVUPINHTEC-UHFFFAOYSA-N", "SMILES:CC1CNS(=O)(=O)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQXGEAVSGWBIEQ-UHFFFAOYSA-N", "SMILES:CC1CNS(=O)(=O)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJAZXQGIRTVRJK-UHFFFAOYSA-N", "SMILES:CC1CNS(=O)(=O)c2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSXJEJKVBFRVTF-UHFFFAOYSA-N", "SMILES:CC1CNS(=O)(=O)c2ccc(I)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXXCSDJFCXDPX-UHFFFAOYSA-N", "SMILES:CC(F)CNS(=O)(=O)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJGVYUBJQKOIT-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)ccc1S(=O)(=O)NCC(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXARLLSSYFUSRQ-UHFFFAOYSA-N", "SMILES:CC(F)CNS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWQFMCXAZSVZEL-UHFFFAOYSA-N", "SMILES:CC(F)CNS(=O)(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBRGLDUBQFRXTG-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(S(=O)(=O)NCC(C)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJBJYXUSZFWJM-UHFFFAOYSA-N", "SMILES:CC(F)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGBIKPCBZHDKAT-UHFFFAOYSA-N", "SMILES:O=C(c1cncc2ccc(F)cc12)N1CCN(Cc2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYNEMOAHBVIGV-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1)N1CCN(Cc2cc(Cl)cc(Cl)c2OC(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFCKJNIXJVHXQD-UHFFFAOYSA-N", "SMILES:O=C(c1cccnc1)N1CCN(Cc2cccc(Cl)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCXRYRUAUVPQMH-UHFFFAOYSA-N", "SMILES:O=C(Nn1cnc2c(F)cc(F)cc21)C1COc2cc(Cl)c(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKNJQFHEHQASFG-KRWDZBQOSA-N", "SMILES:Cc1cncc(CC(=O)N2CCC[C@H]2c2cccc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHXPVLCTFBBEL-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1CN1CCCN(C(=O)c2cncc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMROTVDTGZNSHR-ZDUSSCGKSA-N", "SMILES:O=C1N[C@@H](Cc2cc(Cl)ccc2F)C(=O)N1c1cncc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCNIARYBIODVDV-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccnc1)N1CCc2c(Cl)cc(Cl)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQKYBGBGWHEEP-UHFFFAOYSA-N", "SMILES:O=C(c1cncc(Cl)c1)N1CCCN(Cc2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVWECVVWMUSOK-UHFFFAOYSA-N", "SMILES:Cc1cncc(CC(=O)N2CCc3cc(Cl)c(Cl)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQJHOJVIVGEDML-UHFFFAOYSA-N", "SMILES:CCn1cncc1NC(=O)C1c2cc(Cl)cc(Cl)c2OCC1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMTUKIKBILMTO-UHFFFAOYSA-N", "SMILES:O=C1N(Cc2ccccc2Cl)CCN1c1cncc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXAJMGFDBKJQCX-UHFFFAOYSA-N", "SMILES:O=C1N(Cc2ccc(Cl)cc2Cl)CCN1c1cncc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZPCVEBNMUVOBM-HWZPKKNOSA-N", "SMILES:C=C(C)[C@]12C[C@@H](COC(C)=O)[C@@]3(OO1)[C@@H]1[C@H]2OCCCCCC[C@@H](C)[C@H]2[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@](O)([C@H](O)[C@@]4(CO)O[C@@H]14)[C@@H]23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSDZDRMNYKHPU-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Cc2cc3c([nH]c4ccccc43)c3c2OC(C)(C)C=C3)c2c1[nH]c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYXIXXPETCGFBM-IZENVQDKSA-N", "SMILES:C=C1[C@H]2O[C@@H](OC)[C@H]3[C@@H]1[C@@H]1O[C@@H]1[C@@]3(CO)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLHCGDVLYYHCCZ-PMACEKPBSA-N", "SMILES:COc1ccc(C[C@@H](CO)[C@H](COC(C)=O)Cc2ccc(OC)c(OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AANOJYGPIOGSGJ-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(=O)c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGHBYIZQDUDTSA-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(=O)c2ccc(O)c(O)c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YILUEKNDOFGPLA-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(=O)c2cc(O)c(O)cc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGZQCWYOYAQKU-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(C(=O)c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZMURAFUZDTTK-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPMYAXXBAPSJQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(C(=O)c2cc(O)c(O)cc2F)cc1"]}
{"name": "Peroxisome proliferator-activated receptor gamma coactivator 1-alpha", "xref": ["CHEMBL.TARGET:CHEMBL6116"], "id": "UniProtKB:Q9UBK2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHXIEOUYOSYVEB-PFHORGDFSA-N", "SMILES:CCCCC1CCC(COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSVWWSLUPXQXHY-UHBFJLORSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)COc3ccccc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZFIFKSMUPPYBR-BKKFENPESA-N", "SMILES:C=CC(=O)N[C@H](CC(=C)C)C(=O)N1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC)[C@H](c2cccc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHMGCCSDDIDVLY-KBUCOWLLSA-N", "SMILES:CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C[C@@H]1CCNC1=O)C(=O)C(N)=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570561", "category": ["biolink:ChemicalEntity"], "name": "SIMNOTRELVIR", "xref": ["InChIKey:IGYBDBUREWZAAX-OMKBGSMGSA-N", "SMILES:COC[C@@H](NC(=O)C1CCCC(F)(F)C1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1nccs1"], "synonym": ["Sim0417", "Simnotrelvir", "SIM-0417", "SSD-8432", "SSD8432", "SY-110", "SY110", "Simnotrelvir component of xiannuoxin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLDFHDFSUKKYQC-IZIIKQMZSA-N", "SMILES:C=CC(=O)N(CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLQJJYMVWQTQR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(=O)oc2cc(O)c(O)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1718454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJERVVHSERWGFL-UXBLZVDNSA-N", "SMILES:C=C(C)C(Cc1c(OC)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)OO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1062", "category": ["biolink:ChemicalEntity"], "name": "HYDROXYPROGESTERONE", "xref": ["InChIKey:DBPWSSGDRRHUNT-CEGNMAFCSA-N", "SMILES:CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1892684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXVXZFGPKATXGX-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1sccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQWWBOYSXXRPQ-UCFCWBNQSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NN(CCC(N)=O)C(=O)C(Cl)Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAYDSAMHSQCKIM-OAQYLSRUSA-N", "SMILES:N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL93553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHNZSROUOCNVBP-ZYSHUDEJSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[C@H]1CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGELQLYSYCCROF-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(O)c(F)c1)N1CCC(CN2CCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZHWXLQRALJBE-LJQANCHMSA-N", "SMILES:CNC(=O)c1ccc([C@H]2CCCCN2Cc2cccc(C(=O)N(C)C)c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTRHVKNNCAPDT-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)COc1ccc(-c2cccc3[nH]ncc23)cc1C=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL216586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDRQLLSZGBPUMT-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c(Nc2ncnc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVDJHTYIWQIOCA-ZIADKAODSA-N", "SMILES:COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc2c(c1)CCN2C(=O)CN1CCOCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTAUHBAHFJIAQT-UHFFFAOYSA-N", "SMILES:COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC1(N)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJMGZFTFUOCOO-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=S)NC4CC4)c(Cl)c3F)c2cc1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGTARKGZHQIGTB-QFIPXVFZSA-N", "SMILES:C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C2CC2)c(-c2ccc3nc(Nc4cnn(C5CCN(C)CC5)c4)ncc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYSXNZXVUDYKU-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)C(Cc2ccc3nccc(-c4ccncc4)c3c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHJWHYHRSDRDJ-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccnc3ccc(-c4cnc5[nH]ncc5c4)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKVJGNWKPGDONB-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTZZJPMGWMLCHQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTPIJAVXJNAJOS-SFHVURJKSA-N", "SMILES:Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC[C@H](CC(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHSPQXITERZTDW-JXAWBTAJSA-N", "SMILES:O=C1/C(=N\\O)CN(c2cccc(Cl)c2)N1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUWQFHAXNBOOL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]cnc2c1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVDXTMTDHMHNP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2[nH]ncc2c1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBMTHVMQKZZLE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cn[nH]c2c1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOUZYQZUDZFLJZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFSXBDLQNHNVDI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2ncsc2c1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRSHDHPPQLAYJD-UHFFFAOYSA-N", "SMILES:O=C1NC(=O)c2cc(NC(=O)C3CN(c4cccc(Cl)c4)N(c4cccc(Cl)c4)C3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLVDYXLQKDQMN-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cn[nH]c2)cc1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQMPOPBIQZOZBC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(-c2cn[nH]c2)c1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSQLWLXAIUZNRE-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC(=O)C2CN(c3cccc(Cl)c3)N(c3cccc(Cl)c3)C2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADKQZMJDIRRYCD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc(Cl)s1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWBPYMRUDGCCRV-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NC(=O)C2CN(c3cccc(Cl)c3)N(c3cccc(Cl)c3)C2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSDJMHYJPWONRW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc([N+](=O)[O-])s1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCSKVIUHGNXUTN-UHFFFAOYSA-N", "SMILES:Cc1csc(NC(=O)C2CN(c3cccc(Cl)c3)N(c3cccc(Cl)c3)C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVJLRMEKLNTLX-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(C(F)(F)F)cs1)C1CN(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCZDGZFDAOIHV-UHFFFAOYSA-N", "SMILES:CSc1nnc(NC(=O)C2CN(c3cccc(Cl)c3)N(c3cccc(Cl)c3)C2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGDXVUTBSAUPG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc([N+](=O)[O-])s1)C1CN(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2146090", "category": ["biolink:ChemicalEntity"], "name": "DANOPREVIR SODIUM", "xref": ["InChIKey:GXYYUDQAGCVAGJ-HHGSPMIASA-M", "SMILES:CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(C(=O)[N-]S(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O.[Na+]"], "synonym": ["ITMN-191", "R-7227", "R7227", "RO-5190591-001", "RO5190591-001", "Danoprevir sodium"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PETRXUJAJSDTOF-ZUQRMPMESA-M", "SMILES:C[n+]1cc(-c2ccccc2)c(/C=C/c2ccc(C(C)(C)C)cc2)cc1-c1ccc(C(C)(C)C)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGBYWEGEYIPQAO-UHFFFAOYSA-M", "SMILES:C[n+]1cc(-c2ccccc2)c(/C=C/c2ccc(N3CCCC3)cc2)cc1-c1ccc(C(C)(C)C)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDXJRASYCZEHU-ZUQRMPMESA-M", "SMILES:Cc1ccccc1-c1c[n+](C)c(-c2ccc(C(C)(C)C)cc2)cc1/C=C/c1ccc(C(C)(C)C)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYDNMJXECLSQV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1c[n+](C)c(-c2ccc(C(C)(C)C)cc2)cc1/C=C/c1ccc(O)cc1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWEFSCNNSFOMAD-UHFFFAOYSA-N", "SMILES:Cc1c(O)c(=O)ccn1-c1ccc(N(C)CCN(C)C)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRZYFOOSSKPAR-UHFFFAOYSA-N", "SMILES:O=C(NOCCN1CCCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAVLOLUBQRHBBR-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3692688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZAVITOFPPUOOH-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVLOMOSHXWTJSE-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGHJWYKLICRVHS-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZJIPVEQXFDIS-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNCAIJCEXIDURW-UHFFFAOYSA-N", "SMILES:CN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNCFZZMZPIPXGA-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3692573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYTWBQGSPDBNG-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCKZWZHKZJLTNF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnc2ccccc2c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLHWPJVXSTUVAA-UHFFFAOYSA-N", "SMILES:O=C(NOCc1coc(-c2ccccc2)n1)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFVRWUXRCDLBK-UHFFFAOYSA-N", "SMILES:O=C(NOCCN1CCOCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGVFGBUOLXVAMA-BYYCAQQYSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CN)CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHIJJIZEEMJNAJ-GUJVFXRPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBSKFCHHZMMON-BHEZNCMPSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CN)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APLSLWZTDJOTJT-JVDRDFROSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CN)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWCDRVYHPZBGH-VNKVBLBMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBZVPVWAHUNAJR-PWSXHLKNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPRTVOBBMZQKK-NBMAFENMSA-N", "SMILES:CSCC[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWNSODYJWGXTK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccccc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMVKDDRQAFAHIR-FPYGCLRLSA-N", "SMILES:C/C=C/C(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccccc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIRRPECSQGRIPQ-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccccc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFPUQYWBUKZKKP-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccccc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBTKKBCORZJIFB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(F)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEIOJTYVBRZCNZ-HWKANZROSA-N", "SMILES:C/C=C/C(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(F)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGGBWIJMXQPVBL-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(F)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHCDLLXHPFKAGP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(C)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQKLARRXBCCDGZ-GQCTYLIASA-N", "SMILES:C/C=C/C(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(C)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRKMWQIDOAKMDP-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(C)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBWDNCFTSFBVMY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(OC)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCCPIGHIRYJWNX-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(OC)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKBUYYRCPBFME-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)NCCc4ccc(OC)c(OC)c4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBXAXZOWNLMJQL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)NCCC4CCCCC4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFGHSBGKQIRIO-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)NCCC4CCCCC4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVCSCOPGDYDIB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)NCCc4csc(Br)c4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDOUYNQAILJAAS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)c4sc(-c5ccccc5)nc4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJNAEHJXRLUKI-RUDMXATFSA-N", "SMILES:C/C=C/C(=O)Nc1cc2c(Oc3ccc(NC(=O)c4sc(-c5ccccc5)nc4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZTVZZDUIOMNT-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)c4sc(-c5ccccc5)nc4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZKGSVYNVAEKGQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)n4c(=O)c(-c5ccccc5)c(C)n4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALVQQLFALDFAEZ-BJMVGYQFSA-N", "SMILES:C/C=C/C(=O)Nc1cc2c(Oc3ccc(NC(=O)n4c(=O)c(-c5ccccc5)c(C)n4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWFRSVHKBGUBV-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)n4c(=O)c(-c5ccccc5)c(C)n4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFFMFMRGRIMFGL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)c4c(-c5c(Cl)cccc5Cl)noc4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBHPZBSPHELRR-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccccc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBVFAAXBEUSFMD-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)CCCc4ccccc4)cc3F)c2cc1NC(=O)CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBPRQKCDTRGEBO-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(F)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDHDQBGDPDPWIV-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(F)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPAPQWOFQZCVSD-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)CCCc4ccc(F)cc4)cc3F)c2cc1NC(=O)CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTQNLQINVQTEEY-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(C)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDBGPBIPUAGCQ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(C)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPNCMHAOAKQIG-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)CCCc4ccc(C)cc4)cc3F)c2cc1NC(=O)CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVNFOGJWSOMBNJ-GQCTYLIASA-N", "SMILES:C/C=C/C(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(OC)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEOIILLHWKEGJY-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(OC)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OILJEFBGJRVZNC-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccc(OC)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIHMOPJSDWXAR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccsc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYBIXYMGRIVKU-HWKANZROSA-N", "SMILES:C/C=C/C(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccsc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKKXPOASUICGGS-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccsc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMTGHABHNFHVDN-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccsc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEQCKBGJMQEGA-UHFFFAOYSA-N", "SMILES:CCCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)CCCc4ccsc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHLMEEINVSWSRJ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(NC(=O)CCCc4ccsc4)cc3F)c2cc1NC(=O)CCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUDSEYHLKYANGG-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)NCCc4ccc(OC)c(OC)c4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPKWUQOWAWOLR-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)NCCc4csc(Br)c4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJTVMLGPSFQJED-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)c4sc(-c5ccccc5)nc4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBSSDNUXSFOQKN-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)n4c(=O)c(-c5ccccc5)c(C)n4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIJPGKBFFCUHF-QPJJXVBHSA-N", "SMILES:C/C=C/C(=O)Nc1cc2c(Oc3ccc(NC(=O)c4c(-c5c(Cl)cccc5Cl)noc4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSTUTFNTLWSLX-UHFFFAOYSA-N", "SMILES:CCCC(=O)Nc1cc2c(Oc3ccc(NC(=O)c4c(-c5c(Cl)cccc5Cl)noc4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGEXLIKASJWVDD-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cc2c(Oc3ccc(NC(=O)c4c(-c5c(Cl)cccc5Cl)noc4C)cc3F)cccc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNJRIFKWGTJSN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)c(OCc2cn(CCCCOc3cc(=O)oc4ccccc34)nn2)c1"]}
{"name": "Alpha-amylase", "xref": ["CHEMBL.TARGET:CHEMBL3308960"], "id": "UniProtKB:Q7M328", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9825"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJVWKRPJXXOULK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)c(OCc2cn(CCCCCOc3cc(=O)oc4ccccc34)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIIYDTAOOHVNAQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCc1cn(CCCCCOc2cc(=O)oc3ccccc23)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYGFAJMVKJJWCT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCc1cn(CCCCCCOc2cc(=O)oc3ccccc23)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGQNLHOTLJFJCG-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCc2ccccc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQAEUMFZHFAHY-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cc(-c3ccccc3)no2)csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYGHPFXYNGUANO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(-c2csc3ccccc3c2=O)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRFGGDLJSXYRV-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cc(-c3ccccc3C(F)(F)F)no2)csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGCUPXUAUZTQB-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(-c3csc4ccccc4c3=O)on2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGXGZKDWIIEDB-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cc(-c3cccc(C(F)(F)F)c3)no2)csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTFFLTGYNNAYQG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3csc4ccccc4c3=O)on2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIBGTGNQOCVBAX-UHFFFAOYSA-N", "SMILES:O=c1c(-c2cc(-c3ccc(C(F)(F)F)cc3)no2)csc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CILOZIJRUJVDLF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3csc4ccccc4c3=O)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCBHMQWHIRXBO-UHFFFAOYSA-N", "SMILES:O=C1C(c2cc(-c3ccccc3)no2)=CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDJKCCKQSCRMC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C2=CS(=O)(=O)c3ccccc3C2=O)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNRSFCOYZPCPGR-UHFFFAOYSA-N", "SMILES:O=C1C(c2cc(-c3ccccc3C(F)(F)F)no2)=CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDALJWXGLABOR-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMIUJYSGVXNRND-UHFFFAOYSA-N", "SMILES:O=C1C(c2cc(-c3cccc(C(F)(F)F)c3)no2)=CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUHVRPVTPXHDDO-UHFFFAOYSA-N", "SMILES:O=C1C(c2cc(-c3cccc(F)c3)no2)=CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKILVIIHMNHMGM-UHFFFAOYSA-N", "SMILES:O=C1C(c2cc(-c3cccc(Cl)c3)no2)=CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBNXLRKGECXDGR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGXODLDEWRUZBE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBXDQQMGNMGWNB-UHFFFAOYSA-N", "SMILES:O=C1C(c2cc(-c3ccc(C(F)(F)F)cc3)no2)=CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKGIANNUTNVMDP-UHFFFAOYSA-N", "SMILES:O=C1C(c2cc(-c3ccc(F)cc3)no2)=CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHRBJALLAOFPL-UHFFFAOYSA-N", "SMILES:O=C1C(c2cc(-c3ccc(Cl)cc3)no2)=CS(=O)(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXFHZPVTDWPGR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAJMAHYQLJFZEY-UHFFFAOYSA-N", "SMILES:O=c1c2nnc(C3(C4CC4)CC3)n2c2c(n1CC1CC1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOQWCXKIMBYHSU-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4cccc(F)n4)cc3)nc2n(CC2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOHVSCKKYMLSW-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(Nc3ccc(F)cc3)n(Cc3ccc(S(C)(=O)=O)cc3)nc2n(CC2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSHDZCBIYPEDV-OAHLLOKOSA-N", "SMILES:C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)n1Cc1cccc(F)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZLRNUCEPUNJQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1ncc2c(=O)n(Cc3cccc(F)c3)c(NCc3ccc(F)cn3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBDGAPCMHHMAS-UHFFFAOYSA-N", "SMILES:CC(C)CC1C(=O)N(C)C(=O)c2nc[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBLBCGUCPBXKOV-UHFFFAOYSA-N", "SMILES:COCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL7359", "category": ["biolink:ChemicalEntity"], "name": "BW-A78U", "xref": ["InChIKey:MZABAGHILOTTOD-UHFFFAOYSA-N", "SMILES:CNc1ncnc2c1ncn2Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEAHQDXIJFEHHT-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2[nH]c(CC3CCCC3)nc2C2CC3(CCCC3)N=C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQXUDQUNSOWLGK-LMQGHGSNSA-N", "SMILES:COc1ccc2c(N3C[C@@H](Cl)[C@@H]4OC[C@@H](OCc5ccccc5)[C@@H]43)ncnc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXUBHMWJNPDOV-NCOADZHNSA-N", "SMILES:COc1cc2ncnc(N3C[C@@H](OO)[C@@H]4OC[C@@H](OC(C)=O)[C@@H]43)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPPRICWNUIVQQP-XGVBPZLHSA-N", "SMILES:COc1cc2ncnc(N3C[C@@H](Cl)[C@@H]4OC[C@@H](OC)[C@@H]43)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770459", "category": ["biolink:ChemicalEntity"], "name": "LENRISPODUN PHOSPHATE", "xref": ["InChIKey:ZPIAAFIYOPWWJL-RFPXDPOKSA-N", "SMILES:CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.O=P(O)(O)O"], "synonym": ["IC 200214-12", "IC200214 phosphate", "ITI- 12-phosphate", "ITI-002", "ITI-12-Cyclo-(S,R) phosphate", "ITI-214 phosphate", "ITI200214-phosphate", "Lenrispodun phosphate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZMPLJNURLIAQ-UHFFFAOYSA-N", "SMILES:O=c1c2c(Cc3ccccc3)n[nH]c2c2cccnc2n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNBFSZRGQWYVKW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(=O)n3ncnc3c3cc(CN4CCCOCC4)sc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYOHHBRPKBBGC-GNPGCPQZSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(COC(=O)CCCNC(=O)CCCC[C@@H]6CCSS6)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEOIRNGVQPPCE-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VELZIBCSBGEGFC-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPBKVTTVRQECPJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLJNIQLDFASOAA-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(-c4ccncc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSVGJHMOVXFLBC-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(-c4cccnc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQMXSOTVLWUIOH-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(-c4ccccn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZARTTYSTYGKTQ-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(-c4cn[nH]c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNUFSQIIDHTUSK-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(-c4ccn[nH]4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEIKXPFGCOVPNV-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(-c4ccoc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFTDXDASUJZKMW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNQKDBFEKGUQRI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOHBYDCCAGOSL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTEBOMWQKIGAPD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOEIAMLCIFWERH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABCGASBRPJVTL-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OALUDTWOFNJDSM-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUQJVFNTITWDDU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXWSSWESOMDGR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNGGVLRPFEZHF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJBPKZHFCXLTPW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYZHHTCZMOIGEO-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIOLHSPFQKDMEF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRDLRPZWYTYPLD-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEXJRGOHPWOLJP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cccc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYQBTEJSXUAUKB-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPIEHFHNIDHLK-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1)Nc1cccc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJECNLNLISTAMN-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLFOEWCQIJLDKM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIAPFFZLEAJNDU-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZETWYJEGBMOBQ-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(Nc2ccc3c(-c4cn[nH]c4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGYIFTWOLKSRDJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(C(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTUVAVBYKPYRV-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(C2CCCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTAWFIOFVDTWOX-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQSQJOQPNAARFP-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEBHEXBHNOVWGH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNEYXAMOLUXCLW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(-c2ccc(Br)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGJWWBJAJYQIB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUHZTGUYHUMMF-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(-c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZORFWRZZRNPER-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(-c2ccc(F)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COXSWEZHBTXILY-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(-c2cc(F)cc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZFGLNXIDZGIEG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(-c2cc(F)ccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLRJFPOUNDJLL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)n(-c2ccc(F)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGDVBDDECNNFE-UHFFFAOYSA-N", "SMILES:O=C(O)c1c(Cl)cccc1Nc1cccc(Cl)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RETKATZYCRROBY-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cccc(Cl)c2-c2ccccc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQBLSUWMJNVDPR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(F)ccc1Nc1cccc(Cl)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMPUXMIQHMNIGZ-UHFFFAOYSA-N", "SMILES:Cc1c(F)ccc(Nc2cccc(Cl)c2-c2ccccc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXSFYRPHQUGTJ-UHFFFAOYSA-N", "SMILES:Cc1c(F)ccc(Nc2cccc(Cl)c2-c2ccc3c(c2)CCO3)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFTRHJQQUVYLPC-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2cccc(Cl)c2-c2ccc3c(c2)CCO3)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKGJZULZAVVIY-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2cccc(Cl)c2-c2ccccc2)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVAPCNPVOYVSG-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cccc(Cl)c2-c2ccccc2)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVJPDHMCQSBHHU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cccc(Cl)c2-c2ccccc2)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USKFDZWSYMURHQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(Cl)ccc1Nc1cccc(Cl)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQKGHXWZVWLPV-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWELYOYBGPBXHD-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(N(Cc2cccc(Cl)c2)C(=O)C2CCCC2)cc1)NCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DARSAXRHZILPKH-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc4ccccc4c3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SESARYMILZOKRX-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc(-c4ccccc4)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUMACGXJWZBHGB-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)Cc2ccc(N(Cc3cccc(C)c3)C(=O)C3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLLASATMMWVJK-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc(Cl)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQDYNHZDNLJSI-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc(C(C)C)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJNDMPVWCDGKPR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(CNC(=O)Cc2ccc(N(Cc3cccc(C)c3)C(=O)C3CCCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJQJTOSEOTYHQJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C(=O)C2CCCCC2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OULHGJNPEFZKOA-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSAXJQKLNSSNKJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C(=O)c2ccccc2C)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTLFAAGDXVKQV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKMVXGRUVIWMLE-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGZBNOKAZVFHY-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN(C(=O)c2ccc(Cl)cc2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANURASCLARAQJJ-UHFFFAOYSA-N", "SMILES:CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASQLZTBQCHFXRN-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCC1CN(C(=O)C2CCC(N(Cc3ccc(F)cc3)C(=O)OC(C)(C)C)CC2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEWOKOLYXVTMRX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(C(=O)Cc2ccc(N(Cc3cccc(F)c3)C(=O)c3ccccc3C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXGGSKRTNBUFRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccc(CN(C(=O)c3ccco3)C3CCCCC3)c(N(C)C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGOTZTSUYRUIFZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2nc(C(=O)N3CCN(C(C)=O)CC3)co2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMRGNDERDTQBF-UHFFFAOYSA-N", "SMILES:COc1cccc(OCC2c3ccsc3CCN2C(=O)CN(CC2CCCO2)C(=O)CC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZMOOERTEVRSEC-UHFFFAOYSA-N", "SMILES:CCC(C(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)C(C)C)ccc1N(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDEUGPAXISTNCP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXAJFZDKCXSIMU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQVZAZNGKWAAN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTHVIQRRSAPMS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZVADPMTZLUXJK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVVQBESAECVRJN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPBAJQNXMUSBR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKCMKCYOTNSPEK-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXGUFPHFHYMLBE-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXTVVRKBPMSLAV-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWACWPRBYLIMU-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZODXZQWLLJYZDI-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWCVDNPESBECY-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PONOMMJXJQRWSX-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHUIQYZGLIHUFO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNINFUMIQUWFMO-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDZOYAKHGBJDW-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSQGUTYIJILXDH-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WACRGWFJGJAECA-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVVBJPQMGSFCKS-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPVCVXISVNZOJ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEYGMPSVNZKVKL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLOXTXXFLHSKFJ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADDPPXLTJFYNZ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGANCIFTCMGWOY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSPAIMRIBLJSS-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBCHOTAMCPATCR-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUMWSNMDBTSDZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCOc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNNDQHAPYSHQRR-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCOc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHJDUJYJRMVBNS-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCOc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDTOSPRAGXEUCT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVCGUEKIEDKSPX-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKDBAAMSXWKIHC-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUSUHXKNXZBJR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(OCCCOc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCBIQQFDMCESDG-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCOc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAHHXCWHXGBIOW-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2cc(OCCCOc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYNYZDWGNQYJDF-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)NCCO)cc1NS(=O)(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTDZLJHKVNTQGZ-GOSISDBHSA-N", "SMILES:CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORFFHOKYIMRMST-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)N1CCN(CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPBDUSLGLCUBNJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nnc(N)nc2-c2cn(C)c3ccc(F)cc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVVDIKOAGOMRW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(-c1nc(N)nnc1-c1cn(C)c3ccc(Br)cc13)cn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIFQFFWMMJAFDQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cn(CC(=O)N3CCN(c4ncc(C(F)(F)F)cn4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRRLJIRNFUBRLH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cn(CC(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYKQNYSXHNQMV-UHFFFAOYSA-N", "SMILES:CC(C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)n1cc2cccc(C(N)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFKOVCBQBRHPHJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2cn(C(F)C(=O)N3CCN(c4ncc(C(F)(F)F)cn4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJCOWAYILUKDJC-UHFFFAOYSA-N", "SMILES:CCC(C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)n1cc2cccc(C(N)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWTWNKVOXBLQAU-UHFFFAOYSA-N", "SMILES:Cc1cnc(N2CCN(C(=O)C(C)n3cc4cccc(C(N)=O)c4n3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNPYRSIICOWEB-UHFFFAOYSA-N", "SMILES:COc1cnc(N2CCN(C(=O)C(C)n3cc4cccc(C(N)=O)c4n3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNVBWJKYSOKKDQ-UHFFFAOYSA-N", "SMILES:CC(C(=O)N1CCN(c2ncc(F)cn2)CC1)n1cc2cccc(C(N)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATLRWIJGNYJCQ-UHFFFAOYSA-N", "SMILES:CC(C(=O)N1CCN(c2ncc(Br)cn2)CC1)n1cc2cccc(C(N)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQTFYJGSDVFRTJ-UHFFFAOYSA-N", "SMILES:CC(C(=O)N1CCN(c2ncc(C#N)cn2)CC1)n1cc2cccc(C(N)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUMTVHQFYQEUPT-UHFFFAOYSA-N", "SMILES:CC(C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)n1cc2cccc(C(N)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYKQNYSXHNQMV-GFCCVEGCSA-N", "SMILES:C[C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)n1cc2cccc(C(N)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXYKQNYSXHNQMV-LBPRGKRZSA-N", "SMILES:C[C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)n1cc2cccc(C(N)=O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHLSKWJVKEYCK-UHFFFAOYSA-N", "SMILES:CN(C)C1CN(Cc2ccc(NC(=O)c3ccc(OCCC(F)(F)F)c([N+](=O)[O-])c3)cc2C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBZQTRIXENSKBK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Nc2ccc(CN3CC(N(C)C)C3)c(C(F)(F)F)c2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBXGDNAAUVBDT-GOSISDBHSA-N", "SMILES:CCn1cnc2c(NCc3ccc(-c4ccoc4)nc3)nc(N3CCOC[C@H]3CCO)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXJQTEUOFYZZJB-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLRUGDYFURBPJ-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(O)(Cc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCNKYRERRYWKO-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(Oc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKTDXTAWCRQSPB-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(CNc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGYHDZNSRGPKAM-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(COc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBHDRUAXGZBCDB-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(C(=O)Nc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHWKEVURHEPOH-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CC(Nc3ccc(C(=O)O)cc3)C2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLQWOYSRGUZIX-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CC(CNc3ccc(C(=O)O)cc3)C2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFEUXWBPQXEHLO-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CC(COc3ccc(C(=O)O)cc3)C2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEICEGLMIFIISK-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(C)(COc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXQYQAUMPONRBU-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(O)(COc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKHWVEUHNXIKEJ-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(COc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQEPDBYQONRONU-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(C)(CNc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPUKFZPZBICPQL-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(O)(CNc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFCMSOTXPCQCBG-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(CNc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOGWSZVKPFNIFM-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(C)(C(=O)Nc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZLMCFBRUCRRGR-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(O)(C(=O)Nc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBHBQEPDZVSCBP-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(C(=O)Nc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMDDUHWUGOCYKA-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(CNc3ccc(O)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKIJEUZNKOODE-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(CNc3ccc(N)cc3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIBNFNSBZGKMJZ-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(CNc3ccc(C(=O)O)c(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFYGZKXJXFGWPA-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(CNc3ccc(C(=O)O)c(OC)c3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJTOLIIILLCOFK-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(CNc3ccc(C(=O)O)c(Cl)c3)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWPUGPPGVCRKPX-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(CNc3ccc(C(=O)O)cc3C)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTVOVHKAVNKTGO-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(CNc3ccc(C(=O)O)cc3OC)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFRDNZRJKBAEX-UHFFFAOYSA-N", "SMILES:CCOc1cc(CN2CCC(F)(CNc3ccc(C(=O)O)cc3Cl)CC2)cc(OCC)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGZXCSVUZRAJTQ-CABCVRRESA-N", "SMILES:C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSUUGZJTCCXKGS-KGLIPLIRSA-N", "SMILES:C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3651946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRGJKYVLHTQTI-NBDAELCASA-N", "SMILES:C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3651953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATNCLUHEGCYVPT-XHSDSOJGSA-N", "SMILES:C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXSTQMCFPUFMU-MRXNPFEDSA-N", "SMILES:O=C1Nc2cc(Br)ccc2[C@@]1(O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFSLTOANOUFTBO-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)nc(N)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNBBEIDYRQSHHA-VKVKMMGJSA-N", "SMILES:CCOC(=O)c1c(N)sc(C(=O)N/N=C2/CCc3c(sc4nc(N)c(C#N)c(-c5ccccc5)c34)C2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDOXLKHOTGKNMN-FTCYSYDXSA-N", "SMILES:N#Cc1c(N)sc(C(=O)N/N=C2/CCc3c(sc4nc(O)c(C#N)c(-c5ccccc5)c34)C2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFIELFJYFCWIQ-UHFFFAOYSA-N", "SMILES:CCC(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAAYNSPZJRWJJC-UHFFFAOYSA-N", "SMILES:Clc1ccc2c(c1)N(CCC1CCNCC1)c1ccccc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJMUIPCQIGYNE-UHFFFAOYSA-N", "SMILES:Brc1ccc2c(c1)N(CCC1CCNCC1)c1ccncc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBXUNPBPMPKVIB-UHFFFAOYSA-N", "SMILES:NCCN1CCC(CCN2c3ccncc3Oc3ccc(Br)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPENTYRNSZVTRA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3cc(OC)ccc3OC)[nH]c(=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBKNJWOYYQOURL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc(-c3cc(OC)ccc3OC)cc(-c3ccc(Cl)cc3)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNCYVKSWHXGMH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXPNIPNQCBOAGL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)c3c(N)c(C(=O)Nc4ccc(C)cc4)sc3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQZQARPZTDYLGW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)cc(-c4ccc(OC)c(OC)c4)c3c2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHEFDWFRUMMPQA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(Cl)c([N+](=O)[O-])c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKACHRRKMWGRZ-UHFFFAOYSA-N", "SMILES:NCCCCCCNc1ccc(-c2cnc(N)nc2N)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL21414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUIKQBNBFYGSQZ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc(Cl)c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEFSYYLAHPJYLS-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc3ccccc3c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSERXCKUYFMDAC-UHFFFAOYSA-N", "SMILES:Cc1nc(N)nc(N)c1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKUWOXQVEIGKGS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc(N)nc2N)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMJTWCMESLIQAT-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(Cl)c(F)c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL586281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTGZLNIRSSFVDL-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(Cl)c(Cl)c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTMLFDUCYAVGIG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ccc(-c3cnc(N)nc3N)cc2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVKRIAFQOPKHRL-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(N3CCC(CO)C3)c([N+](=O)[O-])c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSAVWZYTUCFLEE-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)c1ccc(-c2cnc(N)nc2N)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSSOHLOIWTXSK-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRFQMGJTSJHGOO-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cnc(N)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGRMAHCOAQIFRV-QCYANDKHSA-N", "SMILES:C[C@H](CCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKXQGZYENUVPTK-NTAIDBCBSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPPJUGXVSBTUJQ-WJNKWXDLSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCc3ccccc3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJDYVREYUOUKR-JQEWPSKJSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3ccccc3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQNRDZUQLOAJW-HSFHYWLSSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCCc3ccccc3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUTKCEBBNXAGQH-DMWMBDMSSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3ccc(F)cc3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEHXUKMUAOPFGP-DMWMBDMSSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3cccc(F)c3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWZDTHGWNFCIQ-DWYOWBJJSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3ccccc3F)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKEUYPCRIBPTDS-DMWMBDMSSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3ccc(Cl)cc3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCNWYXWOWTWFW-DMWMBDMSSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3cccc(Cl)c3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQGQZOYGGSJAHI-DWYOWBJJSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3ccccc3Cl)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPKOUILXQUEDN-IQNBLMFKSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCc3cc(Cl)cc(Cl)c3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTZPRTPZOCQPNI-DMWMBDMSSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3ccc(Br)cc3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUBBMBHSXXVGJ-DMWMBDMSSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3cccc(Br)c3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPHXNXAWFZMQBS-DWYOWBJJSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3ccccc3Br)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKNUYIAJCLYKQR-HNWNZWKWSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCc3ccc(Br)cc3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYJYPHZCFUHOV-HSFHYWLSSA-N", "SMILES:Cc1ccc(CCNc2ncc3c(n2)CCN(C(=O)CC[C@@H](C)[C@H]2CC[C@H]4[C@@H]5[C@@H](O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]24C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHSNDPMIRAVXFQ-OHHWHFSVSA-N", "SMILES:COc1ccc(CCNc2ncc3c(n2)CCN(C(=O)CC[C@@H](C)[C@H]2CC[C@H]4[C@@H]5[C@@H](O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]24C)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNVTVPCQYALKK-MAMWXMBASA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NC3Cc4ccc(Br)cc4C3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRYWEAHCGOPKQ-WJNKWXDLSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3ccncc3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDJUUNZVZHKLNO-XIHWXSCXSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(NCCc3c[nH]c4ccccc34)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKNPBWAMQGVNW-WACNSQDBSA-N", "SMILES:C[C@H](CCC(=O)N1CCc2nc(N3CCC(c4ccccc4)CC3)ncc2C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZNAXQBYXLSQHO-JBLDHEPKSA-N", "SMILES:CN(C)C[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATWUOKVROKJOAY-POYBYMJQSA-N", "SMILES:N[C@@]1(C(=O)O)CNC[C@@H](CCB(O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWYCZBZTFVAVLN-CBAPKCEASA-N", "SMILES:N[C@@]1(C(=O)O)CCC[C@@H](CCB(O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQGFLCPJFFDDGN-DKCNOQQISA-N", "SMILES:C[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTKKXXPHDDUZEE-OIBJUYFYSA-N", "SMILES:NCC(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMEJUXKTTTZDNQ-GZMMTYOYSA-N", "SMILES:CNCC(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTGUQHOIGYWTB-OUJBWJOFSA-N", "SMILES:N[C@]1(C(=O)O)C[C@H](CCB(O)O)CN(C(=O)[C@@H]2CCCN2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTTYBAWLMIWBTG-OUJBWJOFSA-N", "SMILES:CC(C)[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVDBMOZTUUERV-OUJBWJOFSA-N", "SMILES:CCC[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNQFVOBRXMAMCE-COPLHBTASA-N", "SMILES:CC(C)C[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFZLZTLTCDQLGK-AYGWYOGXSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJBKHFQYBILJMF-RVSPLBMKSA-N", "SMILES:N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOJDJIPKXUIRY-GRDNDAEWSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXVOEAENBTHRJ-VRHCTWJESA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLLKKLVSPBDNC-COPLHBTASA-N", "SMILES:NCCCC[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRNMXYFPRAKGKX-NURSFMCSSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMEXUFQWAIJXNV-PKFCDNJMSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXQGRFUJRTFTN-OUJBWJOFSA-N", "SMILES:NCCC[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUNRVTHSNNAMLD-YVZVNANGSA-N", "SMILES:N[C@@H](CC(=O)O)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMOLDVZMUDWCJ-MWODSPESSA-N", "SMILES:N[C@@H](CCC(=O)O)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTVXRNWKFOFWKN-YVZVNANGSA-N", "SMILES:NC(=O)C[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTFKAVIKTNITSY-MWODSPESSA-N", "SMILES:NC(=O)CC[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXGSTHNHVPMMJS-PKFCDNJMSA-N", "SMILES:NC(=O)NCCC[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQJMGDWBTKFKFS-OUJBWJOFSA-N", "SMILES:CSCC[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJAUAPZURTLAG-DKCNOQQISA-N", "SMILES:N[C@@H](CS)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKKSCAJOSODDD-DKCNOQQISA-N", "SMILES:N[C@@H](CO)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYESWCPHZVFPIZ-JDVQERKKSA-N", "SMILES:C[C@@H](O)[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQGFLCPJFFDDGN-VHSKPIJISA-N", "SMILES:C[C@@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDWBTFHHCJWVEY-GQWAEJPESA-N", "SMILES:Cn1cc(C[C@@H](N)C(=O)N2C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBRMVDUSQBGUJV-USXUVBGUSA-N", "SMILES:C[C@@H]1N(C(=O)[C@@H](N)CCCNC(=N)N)C[C@@H](CCB(O)O)C[C@]1(N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQTYXKNKVQNNKB-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1ncnc2ccc(-c3ccc(C(=O)NCCN4CCc5cc(OC)c(OC)cc5C4)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSWQBEGLOPEGLA-SRMPDBEASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSSCCOC(=O)C1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFLYJAXMXZGVCX-QFEZKATASA-N", "SMILES:COc1cc2c(cc1OCCOCCN1C(=O)/C(=C\\c3cc(Br)c(O)c(OC)c3)c3cc(Br)ccc31)C(C)(CC(=O)Nc1nccs1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAQDSCNKRBNQTJ-CFRMEGHHSA-N", "SMILES:COc1cc2c(cc1OCCOCCN1C(=O)/C(=C\\c3cc(Br)c(O)c(Br)c3)c3cc(Br)ccc31)C(C)(CC(=O)Nc1nccs1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIRGDNJJYOJQCN-QFEZKATASA-N", "SMILES:COc1cc2c(cc1OCCCCN1C(=O)/C(=C\\c3cc(Br)c(O)c(OC)c3)c3cc(Br)ccc31)C(C)(CC(=O)Nc1nccs1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSAPHMOBNWDXNI-CFRMEGHHSA-N", "SMILES:COc1cc2c(cc1OCCCCN1C(=O)/C(=C\\c3cc(Br)c(O)c(Br)c3)c3cc(Br)ccc31)C(C)(CC(=O)Nc1nccs1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZXAMKHLDDJQGO-QFEZKATASA-N", "SMILES:COc1cc2c(cc1OCCCCCN1C(=O)/C(=C\\c3cc(Br)c(O)c(Br)c3)c3cc(I)ccc31)C(C)(CC(=O)Nc1nccs1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECBRGUUHLAGHX-QRQIAZFYSA-N", "SMILES:COc1cc2c(cc1OCCCCCCCCN1C(=O)/C(=C\\c3cc(Br)c(O)c(Br)c3)c3cc(I)ccc31)C(C)(CC(=O)Nc1nccs1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWLOYFHSIMGTBW-UHFFFAOYSA-N", "SMILES:CC(O)CN1CCCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMZINDIOOQTQCQ-UHFFFAOYSA-N", "SMILES:CC(O)CN1CCCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDIIQYRTZYPBT-UHFFFAOYSA-N", "SMILES:OC(Cc1ccccc1)CN1CCCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTPXBKXJSXCFEW-UHFFFAOYSA-N", "SMILES:[O-][S+](CCN1CCCN(CC(O)Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNRGLKLBAIYLH-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(O)CN2CCCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSNSNFDZNYLISW-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(O)CN2CCCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCPMMYARWAYZFE-UHFFFAOYSA-N", "SMILES:OC(Cc1ccc(F)cc1)CN1CCCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIRMKEPVZVZZQK-UHFFFAOYSA-N", "SMILES:[O-][S+](CCN1CCCN(CC(O)Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOMUSOUPNPVSC-UHFFFAOYSA-N", "SMILES:CC(O)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRGIPXWUAHXNG-UHFFFAOYSA-N", "SMILES:CC(O)CN1CCC(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOMUSOUPNPVSC-KRWDZBQOSA-N", "SMILES:C[C@H](O)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRGIPXWUAHXNG-PLKGVSPESA-N", "SMILES:C[C@H](O)CN1CCC(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOMUSOUPNPVSC-QGZVFWFLSA-N", "SMILES:C[C@@H](O)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRGIPXWUAHXNG-RLDYEDSHSA-N", "SMILES:C[C@@H](O)CN1CCC(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTSSYLMATJCZGK-UHFFFAOYSA-N", "SMILES:OC(Cc1ccccc1)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQHTUWBPTVSQIG-UHFFFAOYSA-N", "SMILES:[O-][S+](CCC1CCN(CC(O)Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQXFCEKSCRRQHX-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTUOTQWPMBISES-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBSURYYFISHRX-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCN2CCN(c3ccncc3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHQVIQCYPAMHKS-UHFFFAOYSA-N", "SMILES:[O-][S+](CCN1CCN(c2ccncc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXJFRNNOZOHPAP-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCN2CCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUITURDUBPCQAM-UHFFFAOYSA-N", "SMILES:[O-][S+](CCN1CCN(c2ncccn2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXEFIDWMBZICKI-UHFFFAOYSA-N", "SMILES:Fc1ccc(C(SCCN2CCCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWQZYNCYTCWZML-UHFFFAOYSA-N", "SMILES:[O-][S+](CCN1CCCN(c2ncccn2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMRUWZQTSROWTL-YQQQUEKLSA-N", "SMILES:CC(F)CN1[C@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKSBDQJRKOUQBQ-ZKNLGZBYSA-N", "SMILES:CC(F)CN1[C@H](C)CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370805", "category": ["biolink:ChemicalEntity"], "name": "COCAINE", "xref": ["InChIKey:ZPUCINDJVBIVPJ-LJISPDSOSA-N", "SMILES:COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C"], "synonym": ["Cocaine", "Cocaine", "Cocaine", "(r)-(-)-cocaine", "Benzoylmethylecgonine", "Cocaine", "Cocainum", "Neurocaine", "IDS-NC-004", "RX-0041", "RX0041"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL3084652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZEVDVGPBUFIAW-JKHIJQBDSA-N", "SMILES:CCCCN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOBZWWKGCEYCE-MLAKMTLVSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](CCC(=O)O)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNSOVAESCFZIC-UTKHHMSDSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](CCC(=O)O)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KORVXNFOYOBYIE-NLFKMVNMSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](CCC(=O)O)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPJAWYYONKNFNY-QIZALUNKSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](CCC(=O)O)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4073350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTONIJRZZRKKQF-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)ccc1c23"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1734299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLXDFALYXWCMS-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)Nc2cccc(Cl)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPNXZYUZUHPXAV-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCC(=O)Nc2ccc(F)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFWMERCIOQAFQV-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)COc2cc(=O)n(C)c3ccccc23)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWCORILLVNHTQN-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)COc2cc(=O)n(C)c3ccccc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHKJWKFKENBNRT-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCC(=O)Nc2ccc(F)cc2F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1361298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYCDAPDIGRJKEY-UHFFFAOYSA-N", "SMILES:Cc1cc(Br)ccc1NC(=O)COc1cc(=O)n(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTOPSKABWAMYLK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)NCc2ccc(F)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1438894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCNCPQCHIGSBLZ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)NCc2ccc(F)cc2Cl)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1317563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAQVXHJAQFGKFQ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)Nc2ccc(F)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1728611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBTZPOAHUSXGKN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLBOOXVQUBBJOD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPWRXVCASVJRBR-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)Nc2ccc(F)cc2F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITPPTKDGYBDQP-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1NC(=O)CCCOc1cc(=O)n(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBLXDTWQOWLSJB-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)Nc2ccccc2F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1440525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUQNPSZSRNGQR-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBFBQHARRHRCN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRIMXMIZXESAS-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)NC2CCCCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1722927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHOLYQPTHMLMO-UHFFFAOYSA-N", "SMILES:CCc1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1715674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSUGASVTMZFAL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSYNLINRWAJHRT-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c(C)cc1NC(=O)CCCOc1cc(=O)n(C)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJBJZHMZXGYUPK-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)Nc2cccc(C#N)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFDBMYVRUQQNX-QHCPKHFHSA-N", "SMILES:CSc1ccc([C@@H]2NC(=O)c3sc4nc(C5CC5)cc(-c5ccccc5)c4c3N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMCWSPWQKMPVFT-UHFFFAOYSA-N", "SMILES:Cc1cc(OCc2ccc(F)cc2)c2c(C)c(C)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGNLZRLRDXKFP-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)Nc2cccc(F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXXODEFHAUDCNN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)Nc2ccc(F)c(F)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBQWUFGRWVVDKN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)Nc2cccc(F)c2F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPLXPDSLGDOKN-UHFFFAOYSA-N", "SMILES:Cn1c(=O)cc(OCCCC(=O)Nc2cc(F)ccc2F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVCIRQISSQIGQ-KDURUIRLSA-N", "SMILES:Cc1ccc(NC(=O)CCc2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKBZDNZJMPLYKO-SVGJNIJCSA-N", "SMILES:Cc1ccc(NC(=O)CC(c2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)C2CN(C)C2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIWVCVBFXMUEH-OSGAQNHASA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](c2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)[C@H]2C[C@@H](O)C2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOGHNTJKDMHGJZ-IVFOJYRASA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(C)(C)O)c2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)c(C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTMKWLBIPIJVEE-YOFSQIOKSA-N", "SMILES:Cc1ccc(NC(=O)CC(CC(=O)O)c2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRPPBHGEUHNZEE-CBQGHPETSA-N", "SMILES:Cc1ccc(NC(=O)CC(CC(=O)N(C)C)c2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKWJOTVSHYOKSF-YOFSQIOKSA-N", "SMILES:Cc1ccc(NC(=O)CC(Cc2nnn[nH]2)c2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRPHNWBSMYGKMA-CBQGHPETSA-N", "SMILES:Cc1ccc(NC(=O)CC(Cc2ncco2)c2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEEPMMLFNJPPJA-BHIFYINESA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](Cc2nccs2)c2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTVAUXVVJHTQY-NRSPTQNISA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWQLULXLRQBORM-NRSPTQNISA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZYRIUSBGLTXTI-FCEUIQTBSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CCC(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJYSEUCGYLWWQL-FCEUIQTBSA-N", "SMILES:CCC(C)(C)C[C@H]1C[C@@H](c2onc([C@@H](CC(=O)O)CC(=O)Nc3ccc(C)cc3C)c2C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEBXCNKIUOTGCN-FCEUIQTBSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CCC(C)(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBYZWBGSUOVMHV-VSKRKVRLSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](C(C)(C)C(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAWZETSJBCIFSW-MZYLBHOOSA-N", "SMILES:CCC(CC)C[C@H]1C[C@@H](c2onc([C@@H](CC(=O)O)CC(=O)Nc3ccc(C)cc3C)c2C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHKITJPCPBAFI-AQNXPRMDSA-N", "SMILES:CCc1c([C@@H](CC(=O)O)CC(=O)Nc2ccc(C)cc2C)noc1[C@H]1C[C@@H](CC(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCFUTESMWFQPOH-NJYVYQBISA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C(C)C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSSSBBCTOLRYFT-NJYVYQBISA-N", "SMILES:C=C(C)c1c([C@@H](CC(=O)O)CC(=O)Nc2ccc(C)cc2C)noc1[C@H]1C[C@@H](CC(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIVDWNZYNLPWNE-ILWGZMRPSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CCC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTEFMQDMLJYBTP-NNWRFLSQSA-N", "SMILES:Cc1ccc(NC(=O)C[C@@H](c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)C(C)(C)C(=O)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXCYOQVPCSMRMA-WWNPGLIZSA-N", "SMILES:Cc1ccc(NC(=O)C[C@@H](c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)C(C)(C)CC(=O)O)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVFBSDSBHXWFN-DWLFOUALSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](OCC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEJCBOXHJGKQCL-MSLLRLGPSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](Cc2ccc(C(=O)O)cc2)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHZKRSYRYFRJS-FCEUIQTBSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](Cc2nc(C(=O)O)cs2)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYISYNJLNDZJHX-LYIXCCSJSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](C[C@H]2C[C@@H](C(=O)O)C2)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWXLZXIHDZVCAW-SESVDKBCSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](Cc2nnn[nH]2)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSAWNCZJUAORA-NRSPTQNISA-N", "SMILES:Cc1cccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILAIOWSCUHRCM-NRSPTQNISA-N", "SMILES:Cc1ccc(C)c(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPEFVWKOHBWSRM-NRSPTQNISA-N", "SMILES:Cc1cc(C)cc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUOGZOOGINVIL-NRSPTQNISA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHZNIZOKJLRXCU-FCEUIQTBSA-N", "SMILES:Cc1cc(C)c(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFEXTYALYCVDGY-FCEUIQTBSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCGJAHMOCFVNDE-FCEUIQTBSA-N", "SMILES:Cc1cc(C)c(C)c(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIASUOPIMBEOJ-QRQLOZEOSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQCPFZZYJOYLW-QRQLOZEOSA-N", "SMILES:Cc1cc(F)ccc1NC(=O)C[C@H](CC(=O)O)c1noc([C@H]2C[C@@H](CC(C)C)C2)c1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQTNYFRZQLCQGY-OIISXLGYSA-N", "SMILES:CC(C)C[C@H]1C[C@@H](c2onc([C@@H](CC(=O)O)CC(=O)Nc3ccc(Cl)cc3F)c2C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJUDUOQEHBSHJ-OIISXLGYSA-N", "SMILES:CC(C)C[C@H]1C[C@@H](c2onc([C@@H](CC(=O)O)CC(=O)Nc3ccc(F)cc3Cl)c2C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNHNAYPNWQHBLI-QRQLOZEOSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3314012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWTJAGLMNTUIMB-YSIASYRMSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CCC(=O)O)c2noc([C@H]3C[C@@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMWZZTJMORDQAE-YSIASYRMSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CCC(=O)O)c2nnn([C@H]3C[C@@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZNUDPGDFOZIR-SXLOBPIMSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CCC(=O)O)n2nnc([C@H]3C[C@@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDAWZEPXSHSESP-TYPHKJRUSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CCC(=O)O)n2ncc([C@H]3C[C@@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVWPBXLTWFYTRA-RSEMDMSCSA-N", "SMILES:Cc1ccc(NC(=O)CC(CCC(=O)O)c2ncnc([C@H]3C[C@@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQJALKUHUSBIJV-ZCNNSNEGSA-N", "SMILES:Cc1ccc(NC(=O)C[C@H](CCC(=O)O)C(=O)N(C[C@H]2C[C@@H](CC(C)(C)C)C2)C2CC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279956", "category": ["biolink:ChemicalEntity"], "name": "QUISQUALATE", "xref": ["InChIKey:ASNFTDCKZKHJSW-REOHCLBHSA-N", "SMILES:N[C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5570623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOXCBSSHQBVZCD-VJJSXZLQSA-N", "SMILES:C[C@@]1(C(=O)O)C[C@H]1[C@H](N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIMBAQOIGVLDM-LHMMKRFUSA-N", "SMILES:Cl.N[C@H](C(=O)O)[C@H]1[C@H](CC(=O)O)[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXNRHIJPZNNDDJ-VZAVHYRXSA-N", "SMILES:COc1cccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@@H]32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MATPZHBYOVDBLI-JJYYJPOSSA-N", "SMILES:N[C@H](C(=O)O)C1[C@@H](C(=O)O)[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1714230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICKKPRWZHMGDPZ-NSCUHMNNSA-N", "SMILES:COc1ccc(/C=C/C=C2C(=O)NC(=S)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHCKBSYAYDXUSY-ONNFQVAWSA-N", "SMILES:COc1ccc(/C(C#N)=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRQHPZFBGAKYRX-QPJJXVBHSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKKGZTMYBRAUHW-HWKANZROSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccccc2Cl)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYRTCBUJRHAIQ-DUXPYHPUSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2cccc(Cl)c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZFCGPHNJJHGTD-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(Cl)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXFBUEREAFPHIP-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(Cl)c(Cl)c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFLDBGQUEKIUOM-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2cc(Cl)cc(Cl)c2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUVWDDWLWZGRX-HWKANZROSA-N", "SMILES:COc1cccc(/C=C/C=C2C(=O)NC(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDJQMEZULRSMHF-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(F)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODLFIJXDFCHIRY-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(Br)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLXVJXPSNYDYIR-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMYBOWCRZMSHSB-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(C(F)(F)F)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXHOPKSWDPVXCP-NSCUHMNNSA-N", "SMILES:Cc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTHKKVMXKZSEEZ-ONEGZZNKSA-N", "SMILES:CC(C)c1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQLGLZLIYUKSLY-NSCUHMNNSA-N", "SMILES:COC(=O)c1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMJKLALFWRGOAV-NSCUHMNNSA-N", "SMILES:CC(=O)Oc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRGJOMANJQAXIH-HNQUOIGGSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccco2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTNHQXGRXNMDC-NSCUHMNNSA-N", "SMILES:COc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRSDIVRYEHPKFY-NSCUHMNNSA-N", "SMILES:COc1ncc(/C=C/C=C2C(=O)NC(=O)NC2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFSEFGEHQXXFB-ONEGZZNKSA-N", "SMILES:CCCOc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCZFSPXPAHECR-NSCUHMNNSA-N", "SMILES:COC(=O)COc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLHYFUDSNJHPNF-OWOJBTEDSA-N", "SMILES:NC(=O)COc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUJOIDGTISMCRJ-HNQUOIGGSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(OCC(=O)c3ccco3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZDZNQNMGZYMRJ-HNQUOIGGSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(OCC(=O)c3ccc[nH]3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPKAHGILFAKKLG-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(OCc3ccsc3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHJHLXNTGNJHH-QPJJXVBHSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPNNVBMYIYDTJU-NSCUHMNNSA-N", "SMILES:Cc1ccc(COc2ccc(/C=C/C=C3C(=O)NC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZXISHABQWWHLH-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOQDBLBJOCNCHE-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPJCLHAQAAOCN-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNPUHWGMBQWZGS-OWOJBTEDSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDQYRIFEBHIWEU-OWOJBTEDSA-N", "SMILES:N#Cc1ccc(COc2ccc(/C=C/C=C3C(=O)NC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUSYHCDOORUQO-NSCUHMNNSA-N", "SMILES:COc1ccc(COc2ccc(/C=C/C=C3C(=O)NC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSBQCXQHKKHKPG-NSCUHMNNSA-N", "SMILES:CC(=O)Oc1ccc(COc2ccc(/C=C/C=C3C(=O)NC(=O)NC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMZJJBVQNGPOLH-ONEGZZNKSA-N", "SMILES:CC(C)CCC(=O)Oc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFVLDCBPCAWVBX-QPJJXVBHSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(OC(=O)CNC(=O)OCc3ccccc3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPVEUFSDLTPSR-QTWIXLPOSA-N", "SMILES:O=C1NC(=O)C(=C/C=C/c2ccc(OC(=O)[C@H](CO)NC(=O)OCc3ccccc3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNADFYXUNPLSOE-OUZREKFBSA-N", "SMILES:CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBSWDQBKTKUJAN-FERLCFGISA-N", "SMILES:CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTHQSIAJTRVZTG-QPJJXVBHSA-N", "SMILES:O=C(CNC(=O)OCc1ccccc1)NCC(=O)Oc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGVGSGYTUWLIGN-VRQFZIHSSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVYHPOOHCNGKQT-PTIQPMLFSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQFLCNTZHWNALH-UHFFFAOYSA-N", "SMILES:CCNC(=O)COc1cc(=O)n(C)cc1-c1cc(C(C)(C)O)ccc1Oc1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNBBEDZFGCKDBW-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OCC(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQVHNWGPGAFHA-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ncccc1-c1cn(C)c(=O)cc1OCC(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDBCMSBGZWJJN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(F)cc2F)c(OCC(=O)NC2CC2)cc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGRGYUBHGIVPIG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OCC(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVURPDLWUHLHIN-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OCC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXGPXXVAAQBLBE-YHBQERECSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OCC(=O)N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRMXQCUAQIHKDU-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OCC(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJKMXPJYJSQYJB-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1SCC(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISQMOZAFSTBPG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPIHILGEFGFWAJ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYFFWGHTVVFMSI-YHBQERECSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOFPBVYOVHBCL-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHHKTAXPCSWAMD-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCCC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOZNEYGDFWKCLI-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N1CC2(COC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIPGXBGMESNYML-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCC(NC(=O)CNc2cc(=O)n(C)cc2-c2cc(C(C)(C)O)ccc2Oc2c(C)cc(F)cc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVIJINNHRKPUHQ-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJKYVYSVGBALU-YHBQERECSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N[C@H]1CC[C@H](N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIGCMKYIJHDOEO-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRDCAOHIWONRC-NRFANRHFSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N1CC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRDCAOHIWONRC-OAQYLSRUSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N1CC[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMWLVLDAUUEMRG-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N1CCC(C)(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAIMLAPJMGWVGL-UHFFFAOYSA-N", "SMILES:Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NC(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1416964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVNMOWUEDXHQD-UHFFFAOYSA-N", "SMILES:CCc1nn(CC(=O)Nc2cccc(C(C)=O)c2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDSYWPZWGVSRT-UHFFFAOYSA-N", "SMILES:CCc1nn(CC(=O)Nc2ccccc2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXYKQZKAXDXKX-UHFFFAOYSA-N", "SMILES:CCc1nn(CC(=O)NC)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4174796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KETKKUJFRGJFJG-UHFFFAOYSA-N", "SMILES:CCc1nn(CC(=O)N(C)c2ccccc2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCFYJMATYQTMND-UHFFFAOYSA-N", "SMILES:CCc1nn(CC(=O)Nc2cccnc2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWNJFZLUBUHIRK-UHFFFAOYSA-N", "SMILES:CCc1nn(CC(=O)Nc2ccncn2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQHSHZWMSKXYFO-UHFFFAOYSA-N", "SMILES:CCc1nn(CC(=O)Nc2cccc(O)c2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIOHMFZZXKXAW-UHFFFAOYSA-N", "SMILES:CCc1nn(CC(=O)NC2CCCNC2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTLLTKFTHQGAE-UHFFFAOYSA-N", "SMILES:O=C(Cn1ncn2c(cc3sccc32)c1=O)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCHYBOLTFUVTGH-UHFFFAOYSA-N", "SMILES:CCCc1nn(CC(=O)Nc2cccnc2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQADNIDFJXCEZ-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2cccnc2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNWFRFYPINLPHK-UHFFFAOYSA-N", "SMILES:O=C(Cn1nc(C2CC2)n2c(cc3sccc32)c1=O)Nc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNDIBPCBGLKWJZ-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1nn(CC(=O)Nc2cccnc2)c(=O)c2cc3sccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBZPXGYUZJIBRT-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2cccnc2)c(=O)c2cc3sc(F)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYGRSSHTXJHIC-UHFFFAOYSA-N", "SMILES:CC(C)c1nn(CC(=O)Nc2cccnc2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYXCDWUFTWOXCV-LLVKDONJSA-N", "SMILES:CC(C)c1nn(CC(=O)N[C@@H]2CCCNC2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEQUYKBTEQXJQA-GFCCVEGCSA-N", "SMILES:CC(C)c1nn(CC(=O)N[C@@H]2CCCN(C)C2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXAOJXUYQVCGBD-LLVKDONJSA-N", "SMILES:CN1CCC[C@@H](NC(=O)Cn2nc(C(C)(C)O)n3c(cc4sc(Cl)cc43)c2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCDYECHYJLLJT-KKWRRTDGSA-N", "SMILES:CC(C)(O)c1nn(CC(=O)N[C@H]2C[C@@](C)(O)C2)c(=O)c2cc3sc(Cl)cc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFPMUPCZQGUUCB-GFCCVEGCSA-N", "SMILES:CC(C)c1nn(CC(=O)N[C@@H]2CCCN(C)C2)c(=O)c2cc3scnc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLIFCPASXDGQY-LGPFSEQOSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc3ccccc3cn2)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3786672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBHJUUGEQZOQPH-DHIHPGSNSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@]2(CCc3c(c(C)nc4ccccc34)O2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVFWKZFKJJWAG-ZNCZZGRESA-N", "SMILES:Cc1nc2ccccc2c2c1O[C@]1(CC2)C[C@H]2C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C/CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297303", "category": ["biolink:ChemicalEntity"], "name": "MK-2748", "xref": ["InChIKey:HMYVZDWJFQOHCD-XEZGQWAWSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CCC[C@H]1CCCCCn1c(nc3cc(OC)ccc3c1=O)O2)C(=O)NS(=O)(=O)C1(C)CC1"], "synonym": ["Mk-2748", "MK2748"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLFKRFGLQFYXDF-KYZPRVNESA-N", "SMILES:COc1ccc2nc3c(nc2c1)O[C@@H]1CC2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@@H]4/C=C/CCCCC[C@H](NC(=O)O[C@@H]4CCC[C@H]4CCCCC3)C(=O)N2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2063089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZEYKJWFONXNBD-MWZUOBOASA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3cc1O2)C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVWYWONWAKCAK-YSKNSAEPSA-N", "SMILES:COc1ccc2nc(C(F)(F)F)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C/CCCCCC(NC(=O)OC(C)(C)C)C(=O)N2C1)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXFHUKRXFUSTMU-CRPOQRNNSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@]23CCc4c(c(nc5ccc(OC)cc45)CCCCC[C@@H]4C[C@H]4OC(=O)N[C@@H](C4(C)CCCCC4)C(=O)N1C2)O3)C(=O)NS(=O)(=O)C1(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL414993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMHQYWPVQDRYSQ-LMPQEXDPSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3128331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GATHUTHDHGFJEK-XDLGLMEPSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3125106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGRHQWCWFHOWIV-MLJCCNOUSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL130326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMGUHOUDWBEQT-PCMUPDFDSA-N", "SMILES:CC[C@@H](C=O)NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL338447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWADKHNEIODRRP-BILQSEOESA-N", "SMILES:CC[C@@H](C=O)NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXVKSSNIKFWGGC-FWUMCPGESA-N", "SMILES:CC[C@@H](C=O)NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSZCRDFBHYDYEK-AKOOALSVSA-N", "SMILES:CCC[C@H](NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1672587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSIXKAHFCWLWHX-WYSYMYBTSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCNSAGAIUHBSDX-GQEITXKSSA-N", "SMILES:C=C[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTFMCTIJCYODMU-QRFOMYQOSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALPPKGCBLNQPPI-REOBZTPWSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3c(C(C)C)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJNVTFUJRGPZQM-VUBYNLGZSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(C(=O)CC)n3)nc3c(C)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXDWZQXORQBLV-HLUWLTKXSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1779118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCQBQGHTRNLNA-ZWWNSUONSA-N", "SMILES:COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(P(=O)(O)Cc6ccccc6)C[C@H]5CCCCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSGUUWGOHGMQH-OPNWCCTFSA-N", "SMILES:COc1ccc2nc3c4c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C/CCCCC[C@H](NC(=O)O[C@@H]5CCC[C@H]5CCCCC3)C(=O)N2C1)O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFAXEHOMXOFIQU-OPELNAESSA-N", "SMILES:COc1cnc(O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)NS(=O)(=O)C5CC5)CC4/C=C\\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N3C2)c2cc(Cl)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLUSJUYKUYJTBL-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCUMWPAQOSMGV-UHFFFAOYSA-N", "SMILES:COc1cc(N2C3CCC2CN(c2cc(-c4ccccc4O)nnc2N)C3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDJLADNPSHUUOZ-UHFFFAOYSA-N", "SMILES:COCCOc1cc(N2C3CCC2CN(c2cc(-c4ccccc4O)nnc2N)C3)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMWKZXTQZEWBK-PRVCUHQGSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2cc(OCCN3CCC(O[C@H]4C[C@H](Oc5cc(N6C7CCC6CN(c6cc(-c8ccccc8O)nnc6N)C7)ccn5)C4)CC3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVCUSPUMMUFTD-JBVRKRIASA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2cc(N3CCC(CN4CCC(O[C@H]5C[C@H](Oc6cc(N7C8CCC7CN(c7cc(-c9ccccc9O)nnc7N)C8)ccn6)C5)CC4)CC3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKSIXVYJDJXBPQ-WBHYNMRESA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2cc(OCCN3CCC(O[C@H]4C[C@H](Oc5cc(N6C7CCC6CN(c6cc(-c8ccccc8)nnc6N)C7)ccn5)C4)CC3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGAKWHKXPCGTTM-UGYSMLSYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2cc(N3CCC(CN4CCC(O[C@H]5C[C@H](Oc6cc(N7C8CCC7CN(c7cc(-c9ccccc9)nnc7N)C8)ccn6)C5)CC4)CC3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOMWKZXTQZEWBK-IGIKSVKWSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](c2cc(OCCN3CCC(O[C@H]4C[C@H](Oc5cc(N6C7CCC6CN(c6cc(-c8ccccc8O)nnc6N)C7)ccn5)C4)CC3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQVCUSPUMMUFTD-UWKHHCSMSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](c2cc(N3CCC(CN4CCC(O[C@H]5C[C@H](Oc6cc(N7C8CCC7CN(c7cc(-c9ccccc9O)nnc7N)C8)ccn6)C5)CC4)CC3)no2)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXCYNOPQKCEXKX-UHFFFAOYSA-O", "SMILES:CN(C)c1c2c(c3nc4ccccc4c4c3c1N=C4N1C(=O)c3c4c(nc5ccccc35)C3=C(C(=O)CCN3)C(=[N+](C)C)C41)NCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBUTUOVTDKWFQG-UHFFFAOYSA-N", "SMILES:CN(C)c1c2c(c3nc4ccccc4c4c3c1N=C4)NCCC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5583756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJHNHKMMJBRLF-UHFFFAOYSA-N", "SMILES:CC(Sc1nncn1C)c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJHNHKMMJBRLF-ZDUSSCGKSA-N", "SMILES:C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVNFFOKNMXGQRR-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(c5nncn5C)CC(F)(F)C4)c2)C3=O)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVMFSJUEQGVZBH-GOEMLCGBSA-N", "SMILES:C[C@H]1CCCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@]4(Cc5nncn5C)C[C@@H](C#N)C4)c2)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBUWVXMAWVXPJO-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCC(CC#N)C5)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWIYHMAATGUUNQ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC6(CC6)C5)cn4c3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXNOMEAWUJEOLG-LBNVMWSVSA-N", "SMILES:Cn1cnnc1[C@H](c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC[C@@](C)(O)C4)cn3c2=O)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWGBAIIIZZHBCD-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cc(NC3CCCC3)cc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLTLTIZSFDFQQX-JOCHJYFZSA-N", "SMILES:Cn1cnnc1[C@@H](F)C1(c2cccc(N3Cc4c(cc(CN5CC6(C5)CC6(F)F)cc4C(F)(F)F)C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKQGYDSQKWQBHO-CQSZACIVSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(NC(=O)N2CCOc3cccnc32)c1"]}
{"name": "E3 ubiquitin-protein ligase CBL-C", "xref": ["CHEMBL.TARGET:CHEMBL5724772"], "id": "UniProtKB:Q9ULV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFPWGXGGSSZTIU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ncc3nc(N4CCOCC4)ccc3c2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMKTNLPUAJVIR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ncc3nc(N4CCOCC4)ccc3c2O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQEPLYUDUHHZME-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)ccc1CNC(=O)c1ncc2nc(N3CCOCC3)ccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXVBKZPTGZPOA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ncc3nc(N4CCOCC4)ccc3c2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVEMUHKZVXBOIF-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)c1ncc2nc(N3CCOCC3)ccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYVQIVKXODUODS-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2ncc3nc(N4CCOCC4)ccc3c2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCWSMKXRIETBU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(O)nc1)c1ncc2nc(N3CCOCC3)ccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUOTLHCUXULAJ-UHFFFAOYSA-N", "SMILES:Cn1cc(CNC(=O)c2ncc3nc(N4CCOCC4)ccc3c2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWXVOLABXSQYTB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ncc3nc(N4CCNCC4)ccc3c2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDNLUHNQWZKHAO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ncc3nc(N4CCNC(CO)C4)ccc3c2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCIAZOXXWMQPU-ZDUSSCGKSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ncc3nc(N4CC[C@H](C(N)=O)C4)ccc3c2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROTOKWNRJPNVEV-CQSZACIVSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ncc3nc(N4CC[C@@H](O)C4)ccc3c2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAKWPBUOTBAESG-IYBDPMFKSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ncc3nc(N4C[C@@H](O)[C@@H](O)C4)ccc3c2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCSAWJPODQMRTL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ncc3nc(NCCO)ccc3c2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHJHQUCRWNKGKO-UHFFFAOYSA-N", "SMILES:CN(c1ccc2c(O)c(C(=O)NCc3ccc(C#N)nc3)ncc2n1)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZFJDBFBRHBAG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)c2ncc3nc(N4CC5(CC(O)C5)C4)ccc3c2O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKFYFNINMJEGT-HNNXBMFYSA-N", "SMILES:COCCCOc1cc2c(nc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](C(C)C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKRAZJPDLDPIBG-BDTNDASRSA-N", "SMILES:CCc1cccc2cc(O)cc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OC[C@@H]5CCCN5C)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMIRYEYYRRGPKG-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1cnccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFPSHIDVWKVSO-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ccncc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACFXFSASUOOLC-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1cccnc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISHUULBGXOVLLF-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3890986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJCVYZGCYEQEA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHOMUDQDZZWLSZ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(N)CC3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPLRIFJSFFHUQM-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNARAQPWBNWRIS-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVOPUFBADFYEL-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ncnc3sccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3982497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFSCBCNTYCQQD-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc3[nH]ccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBMUEOYWGJZICW-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cccc3[nH]ncc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3950697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFGWNLDQFLAEHP-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ncccc2F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3966595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJMOXJYFZUYUTA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(N3CCOCC3)cc3ccccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUKUYCBPKLCSMU-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)C(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTHRAYTYMYRHI-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)C(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3965722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLWUDVHJKVMILP-UHFFFAOYSA-N", "SMILES:COC1CN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CCC1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMVLMAOGOJJAE-FVCICTRLSA-N", "SMILES:Nc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)[C@@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBRATALIOPVTQ-UHFFFAOYSA-N", "SMILES:CNc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1cnccc1N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEFAAFLIBQXOAO-SJCJKPOMSA-N", "SMILES:CO[C@H]1CN(c2ccncc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCSNGMFNQAFDI-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccn2c(-c3ccnc(NCC4CC4)n3)c(-c3ccc(F)c(NS(C)(=O)=O)c3)nc2c1"]}
{"name": "cGMP-dependent protein kinase", "xref": ["CHEMBL.TARGET:CHEMBL2169724"], "id": "UniProtKB:W7JX98", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5843"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3782104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHRPHLZONNTFF-NUISNXNRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCONC(=N)N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1"]}
{"name": "Plasmepsin V", "xref": ["CHEMBL.TARGET:CHEMBL3559638"], "id": "UniProtKB:A0A0H4FQ60", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5855"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLWKNXUSLSOAGM-HSGLFRJESA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1OCC1(CN(C)C(=O)CCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYQJDWHARWLNU-PZJDEBOCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKMWBQTNZUIHU-XQVABMMJSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMNTLZYFSQNKW-QOYZNECPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYRTUCMFUGCNJ-HALPZTMQSA-N", "SMILES:CCCCCCCCCCCCCCCC(=O)N[C@@H](C(=O)NCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CO)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O)[C@@H](C)CC)[C@H](C)CC)C(C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGBGXAPCCQKQFF-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(-c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMBRIESIHKRFRN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDCZEODROWANHP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVCTEYNZQCYAM-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSOWVJVQPVTFJI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYLHEPWJLCPSB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABAXEYXHOZXZEL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(-c3ccccc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAEXTEAXBLYPCO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INKHOSWPIABCLI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYWLNXXCPJWLH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGSSFNSKISLHA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMROFMBUHNVMQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(-c3ccc4ccccc4c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMBQVYHUYITHQL-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUEJZWXGBCRYON-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXJUWZFFMLKVEL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)nn1C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBFBNBRXNOROCS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)[n+](-c2cccc(S(N)(=O)=O)c2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GESFTHOQEORIQU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc4ccccc4c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZMQBBJSKBMVQD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXJLIBVJJOKQL-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3cccc(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJXWLXNEXPASL-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJQCHWJNTSHHDE-FDAJJIMSSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)NC2CN3CCC2CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBMPESQFRWFCAQ-IZYDDWPYSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@](C)(NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)NC2CC3CCN2CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJRRGDLZVFXOFI-XMZZPRPSSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)CN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKHAFYWOZKBOQW-FCKLSXKDSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)CCN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWEVZKZVCXMJAC-IVCVJKHQSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)CCCN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLEJSDMLQVYESE-WBOWZZPWSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)CCCCN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYRZEZDMHAWCC-AQCFQUHCSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)N[C@H](CCCCN)C(=O)N3CC[C@H](N)C3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBRCAOXJSUWDN-OKEDDIKYSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)N1CCC[C@H]1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXDBPQPDQOTGR-QXTIUPHPSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNPHBCROHIVEP-QXTIUPHPSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNFGUDOCDQLJM-QXTIUPHPSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQBGBGAHQMSFKT-LYVYPOQBSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)NCC2(N)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRYGQQWTDCQYRM-JIEJYHBVSA-N", "SMILES:CN(C)CCCC[C@H](NC(=O)CCN)C(=O)N1CCN(C(=O)c2ccc(NC(=O)[C@@H](NC(=O)[C@H](Cc3ccncc3)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C(=O)O)C(C)(C)C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGQRAFESYCAPJ-ODTVBPJYSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)NCC2(N)CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWXBLPIMYHSQO-IZYACQOUSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)N[C@H](CCCCN)C(=O)NCCN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNGCWQINZYUBTM-BLEZFCBESA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCN)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDYCASHTZCPWML-LBKVANKDSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)N[C@H](CCCCN)C(=O)N3C[C@@H](N)C[C@H]3C(N)=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHJAQSSOXSUFD-NTEUORMPSA-N", "SMILES:COC(=O)/C=C/c1ccc(CN(C(=O)OC(C)(C)C)C2CC2c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXKLASRKAZHCD-OBEQGSJMSA-N", "SMILES:CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OC(=O)NCCN(C)C2CC2c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5418631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPVMPDFJDRWNBC-WQBMDMGNSA-N", "SMILES:CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OC(=O)N(C)CCN(C)C2CC2c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4597203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VISDQYOXQLXIFC-UHFFFAOYSA-N", "SMILES:NC1CC1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQFMAESPVMFDRF-UHFFFAOYSA-N", "SMILES:CN(C)CCn1nnnc1Sc1ccnc2nc(SCc3ccc(Br)cc3)nn12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWDOJKWAUHDNFB-MPEOSAONSA-N", "SMILES:C=C/C=C/c1cccc(Oc2cccc(Cl)c2CNc2nc(N)n[nH]2)c1/C=C/C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFGRTQYVIIVRZ-UHFFFAOYSA-N", "SMILES:CC(C)NCC1Cc2cc(Cl)cc(Cl)c2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4527597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPANAEUYJBVMOZ-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c(NCc2ccccc2Oc2ccc(-c3ccccc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3948560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNGSLXVTBFCCRM-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMKOVPNIWFYFP-XIFFEERXSA-N", "SMILES:N[C@@H](CCN(Cc1ccccc1OCC#Cc1ccccc1)Cc1ccccc1OCC#Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJVYOOOTOWHEQ-DHUJRADRSA-N", "SMILES:COc1ccc(C#CCOc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCC#Cc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOXRNGHUPQBIU-DHUJRADRSA-N", "SMILES:Cc1cccc(C#CCOc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCC#Cc2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRNYLVDSJNQRO-KDXMTYKHSA-N", "SMILES:CC(C)(C)c1ccc(C#CCOc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCC#Cc2ccc(C(C)(C)C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNFJCLHMLWTZFU-DHUJRADRSA-N", "SMILES:COc1cccc(C#CCOc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCC#Cc2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBPBOPLYMAXGPH-DHUJRADRSA-N", "SMILES:Cc1ccccc1C#CCOc1ccccc1CN(CC[C@H](N)C(=O)O)Cc1ccccc1OCC#Cc1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWGJLMZCKEGCV-QNGWXLTQSA-N", "SMILES:Cc1cc(C)cc(C#CCOc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCC#Cc2cc(C)cc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPYWIUSVLPTMSJ-XIFFEERXSA-N", "SMILES:N[C@@H](CCN(Cc1ccccc1OCC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1OCC#Cc1ccc(C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBTYEISWZACPBN-DHUJRADRSA-N", "SMILES:Cc1ccc(C#CCOc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCC#Cc2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKJQYZWHJHAOU-XIFFEERXSA-N", "SMILES:N[C@@H](CCN(Cc1ccccc1OCC#Cc1ccc(Cl)cc1)Cc1ccccc1OCC#Cc1ccc(Cl)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVLFTWRNNOUDS-XIFFEERXSA-N", "SMILES:N[C@@H](CCN(Cc1ccccc1OCC#Cc1ccc(F)cc1)Cc1ccccc1OCC#Cc1ccc(F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKNVAAMULVFNN-HKBQPEDESA-N", "SMILES:Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(=O)O)Cc2ccccc2OCc2cccc(C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWCNDDYVNYXBN-XIFFEERXSA-N", "SMILES:N[C@@H](CCN(Cc1cc(Br)ccc1OCC#Cc1ccccc1)Cc1cc(Br)ccc1OCC#Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRBJHYUJGGQHM-XIFFEERXSA-N", "SMILES:N[C@@H](CCN(Cc1cc(F)ccc1OCC#Cc1ccccc1)Cc1cc(F)ccc1OCC#Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMOGMLCSKJCBS-DHUJRADRSA-N", "SMILES:Cc1ccc(OCC#Cc2ccccc2)c(CN(CC[C@H](N)C(=O)O)Cc2cc(C)ccc2OCC#Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWBRBUPYLUGVNU-XIFFEERXSA-N", "SMILES:N[C@@H](CCN(Cc1ccc(Br)cc1OCC#Cc1ccccc1)Cc1ccc(Br)cc1OCC#Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGKZFCZOZXKQR-KDXMTYKHSA-N", "SMILES:CC(C)(C)c1ccc(OCC#Cc2ccccc2)c(CN(CC[C@H](N)C(=O)O)Cc2cc(C(C)(C)C)ccc2OCC#Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDIDUSMHIUHFGK-DHUJRADRSA-N", "SMILES:COc1ccc(CN(CC[C@H](N)C(=O)O)Cc2ccc(OC)cc2OCC#Cc2ccccc2)c(OCC#Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLQUMZYPBLDBPX-RWYGWLOXSA-N", "SMILES:N[C@@H](CCN(Cc1c(OCC#Cc2ccccc2)ccc2ccccc12)Cc1c(OCC#Cc2ccccc2)ccc2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPRNLDPWOCCCQX-DHUJRADRSA-N", "SMILES:Cc1ccc(OCC#Cc2ccc(Cl)cc2)c(CN(CC[C@H](N)C(=O)O)Cc2cc(C)ccc2OCC#Cc2ccc(Cl)cc2)c1"]}
{"name": "Sodium-coupled neutral amino acid symporter 1", "xref": ["CHEMBL.TARGET:CHEMBL6066229"], "id": "UniProtKB:Q9H2H9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGMXUPVWRQVUKG-ONTXGEKHSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZHNGICQBJQHNE-RWJHWNNDSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEJJBJXKIUHRLJ-OVOATBQVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWSSNVUZKCWFX-LGLHGHGUSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WARJEYIARYLDNF-WOWNNNMQSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCCFHIMCLZGLNA-SAJKMHEWSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](N)[C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](CSSC[C@H](C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXAPWFYSQHTAQ-NHPVSCMHSA-N", "SMILES:Cn1cc(C(F)(F)F)c2cc(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)c(=O)[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPVBHUNPBVQSGR-XVDXERDNSA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(-n3cc(C(F)(F)F)ccc3=O)c2)C[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZWDFGBPPKSYAC-QGZVFWFLSA-N", "SMILES:Cn1cnnc1[C@@H](c1cccc(-c2cc(C(F)(F)F)c[nH]c2=O)c1)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCAPBVURFBDUCK-MXXVBZNESA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(-c3nc(C(F)(F)F)c[nH]c3=O)c2)C[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRDGZKUTSONFE-LDTOLXSISA-N", "SMILES:Cc1c[nH]c(=O)c(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBLVEBWFNYNDAG-XLOAEROZSA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(-c3cc(C4CC4)c[nH]c3=O)c2)C[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZNRYFCXKGBFT-NXHRWCDGSA-N", "SMILES:COc1c[nH]c(=O)c(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTHMDOXMMPRTRJ-HHCCDPJTSA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(-c3cc(OC(F)(F)F)c[nH]c3=O)c2)C[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRAGLZDOKMRNKO-UWELNFAVSA-N", "SMILES:Cn1cnnc1C[C@]1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)C[C@H](C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFYHDEOJHPSHNZ-UHFFFAOYSA-N", "SMILES:Cn1cnnc1C1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNRHRDJYTZZMMS-HHCCDPJTSA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)C[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLWIGDXQSSYHD-NXHRWCDGSA-N", "SMILES:Cn1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5549968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUDTWUCKLRTPT-PAVFIEEWSA-N", "SMILES:CC#CCn1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXDSWZGTJRNCFS-WOGXIUBCSA-N", "SMILES:CC#C[C@H](C)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITEFJYULOGGVFG-AYSMAOOMSA-N", "SMILES:C[C@@H](C#N)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWJUBLGTAHEMDM-DPOKWSEZSA-N", "SMILES:CN1CC[C@H](Cn2cc(C(F)(F)F)cc(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)c2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEWBEJBFOOPCV-SKUGRUHMSA-N", "SMILES:CN1CCC(Cn2cc(C(F)(F)F)cc(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVXMOXQAGXYMOM-ONEIWYMKSA-N", "SMILES:Cn1cnc(Cn2cc(C(F)(F)F)cc(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOFXPHZIBVIFV-ONEIWYMKSA-N", "SMILES:Cn1cc(Cn2cc(C(F)(F)F)cc(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)c2=O)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNUUWANFMECFW-GUJKFWMDSA-N", "SMILES:Cn1cc(Cn2cc(C(F)(F)F)cc(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHBYLZJKYMHXJH-GPCKLQJOSA-N", "SMILES:Cc1nnc(Cn2cc(C(F)(F)F)cc(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)c2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRNMXYQPWPALPI-BFIDETRKSA-N", "SMILES:C[C@H](c1cnn(C)c1)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRNMXYQPWPALPI-XOWTYJCDSA-N", "SMILES:C[C@@H](c1cnn(C)c1)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O"]}
{"name": "E3 ubiquitin-protein ligase CBL", "xref": ["CHEMBL.TARGET:CHEMBL6066351"], "id": "UniProtKB:P22681", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2376653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COMJDCJYPMUKSJ-MRXNPFEDSA-N", "SMILES:CCN1CCN(c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c[nH]c3=O)c(OC)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVISZZZHWWOKC-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccccc2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKWJAPMUJBALDG-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSGXBUYMTDAVIF-OAHLLOKOSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLYNJAWXGXJGHB-MRXNPFEDSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNAJRGGYBUJETB-MRXNPFEDSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMGYUSHYAZGTDD-OAHLLOKOSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKJOSUFFSBDQRW-SNVBAGLBSA-N", "SMILES:CNC(=O)c1ccc(NC(=O)c2cc(N[C@H](C)c3c(Cl)ccc(F)c3Cl)c[nH]c2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPIZHLHULAZVJG-MRXNPFEDSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2cccc(CN3CCCCC3)c2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYSJKGMNHIZPC-SECBINFHSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2cnn(C)c2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLQKMWRIFQYBM-SNVBAGLBSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2cnn(CCO)c2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMRDTDQLNOWWIR-GFCCVEGCSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2cnn(C3CCNCC3)c2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHQWFJCIDXHQD-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(N3CCOCC3)nc2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTVWFJUVQWHDQ-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPEHLKGIPFSRNG-GOSISDBHSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABKHRYFREHSRLU-GOSISDBHSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIZRMGGQRXLBII-GOSISDBHSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAQAOLKMQRMZAM-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFZDDJWVYINCJK-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEGXADASXTZKKP-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPCZJOGYKUAWAA-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKOHDIFKOBUCE-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAYNWCSYKFZWDU-HXUWFJFHSA-N", "SMILES:Cc1ccc([C@@H](C)Nc2c[nH]c(=O)c(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEAFOURVQABJY-HXUWFJFHSA-N", "SMILES:Cc1cccc([C@@H](C)Nc2c[nH]c(=O)c(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPZLUZUONSZIH-OAQYLSRUSA-N", "SMILES:Cc1ccc([C@@H](C)Nc2c[nH]c(=O)c(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUOVAEVRHWYEGU-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(C#N)cc2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNLMFPCQFATAH-GFCCVEGCSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(N[C@H](C)c3c(Cl)ccc(F)c3Cl)c[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYRLGCCLZCCPW-SNVBAGLBSA-N", "SMILES:C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2cccc(F)c2)c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPGMDHDJXBWMY-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBHHNCNNPAQJKL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHVOBPXDRXREPU-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNQLGPZGKLENF-XBXARRHUSA-N", "SMILES:C/C=C/C(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFXCKBBUQQVJDT-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTCGPXMFJRYLPJ-JXMROGBWSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3NC(=O)/C=C/COC)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INODTTCRMBPOOV-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3NC(=O)CCl)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDKBVYWLGOPDX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3NC(=O)CC#N)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPNBDMMJKYCISL-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3NC(=O)C(C)(C)C#N)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXIUKLDWLPTQCZ-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3NC(=O)C3(C#N)CC3)c(C)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTWCUXGJJFRMOL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQBTZSCMHYKUHI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYJXLGREZTKDK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2cccc(C#N)c2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVOVPDXPRHCCFA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYOIQROHCVEDIP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLERKMXBZOFRSA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)c2ccc(S(C)(=O)=O)cn2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZDOVHETKGHDX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)c2ccc(OC)nc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKJAWMBCUGOHGO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)c2cnc(C)nc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRWWYLKEQDYILU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQAXNCLXIYDSSR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZFSJANGNHBHO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNSGPNLXRHGNN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQMXGBQLANXGE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1c(Cl)cc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFTYMMAJWUKUFA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDPFZWFJQJSXDK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLIZQYPXHQZRK-FQEVSTJZSA-N", "SMILES:Cc1ccc(NC(=O)N2CCO[C@H](C(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLIZQYPXHQZRK-HXUWFJFHSA-N", "SMILES:Cc1ccc(NC(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNOCGMJBOQUCP-GOSISDBHSA-N", "SMILES:Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNOCGMJBOQUCP-SFHVURJKSA-N", "SMILES:Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPPBENPFFVVINE-SFHVURJKSA-N", "SMILES:Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIWLSDMUCJRPD-MOPGFXCFSA-N", "SMILES:Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(OC[C@@H](C)O)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXUYHXBJVDTMMA-IBGZPJMESA-N", "SMILES:Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(OCC(C)(C)O)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSBEDPQVKPACA-OALUTQOASA-N", "SMILES:Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(O[C@@H](C)CO)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJSBEDPQVKPACA-MOPGFXCFSA-N", "SMILES:Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(O[C@H](C)CO)nc(N2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095099", "category": ["biolink:ChemicalEntity"], "name": "EXARAFENIB", "xref": ["InChIKey:GZMYLSJUNSCMTD-MOPGFXCFSA-N", "SMILES:Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N[C@H](C)CO)nc(N2CCOCC2)c1"], "synonym": ["Exarafenib", "Exarafenib", "Exarafenib", "KIN-2787 FREE BASE"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIORGMDYHXVSAK-UHFFFAOYSA-N", "SMILES:CCc1cc(=O)[nH]c(-n2nc(C)cc2Nc2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUGNADHHNGJTF-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3c(=O)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCNIHNCQNLKTSB-XNCTUZGZSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)N4CCC[C@H](C(=O)NO)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHCPCROFMKBZOF-XNCTUZGZSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)N4CCC[C@H](C(N)=O)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHAZMUIBGZEWFT-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCCC(=O)NO)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDCJDUHEACMDQD-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCCCC(=O)NO)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKDAMTQMGLWFJP-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCC(=O)NO)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGUVOLCZXDVTOP-DWPYIVPZSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)N4CCC[C@H](C(=O)NCCC(=O)NO)C4)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJRVTERXNKEOEP-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCC(=O)NO)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGALVRQYIBVKNK-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCCC(=O)NO)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICDGBVIDDVNJZ-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCCCC(=O)NO)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIOXXUYRBIVCQF-YRUNXVSYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)N4CCC[C@H](C(=O)NCCC(=O)NO)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQTAJLLFTMZPIZ-BPVJQJKNSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)N4CCC[C@H](C(=O)NCCC(=O)NO)C4)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOJCISQOFNVCQB-OAHLLOKOSA-N", "SMILES:COC(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDERXOPPSIGTOL-AWEZNQCLSA-N", "SMILES:O=C(O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYSSGHAZBAHCX-AWEZNQCLSA-N", "SMILES:O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c(F)c2)C1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDHKOTXQLUGMQY-AWEZNQCLSA-N", "SMILES:COC(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGHPMNZKGQNDQT-ZDUSSCGKSA-N", "SMILES:O=C(O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUGSSYCUBMQIII-ZDUSSCGKSA-N", "SMILES:O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)C1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSTDEPYMRYICCW-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)NC1CCN(C(=O)c4ccc(C(=O)NO)cc4)CC1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSCNKZISKDYXGV-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)NC1CCN(C(=O)c4ccc(C(=O)NCCCCC(=O)NO)cc4)CC1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZMWYXYWDSCNHX-YARVNSPRSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)N[C@H]1CC[C@H](Oc4ccc(C(=O)NCCC(=O)NO)cc4)CC1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAOMXUAIKVFJA-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)NCCCCCC(=O)NO)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OABRBNWKEKBBQV-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)NCCCCCCC(=O)NO)cc1)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAFITKIRZLJDO-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)NCCCCCC(=O)NO)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVPDSKTKCJTEP-UHFFFAOYSA-N", "SMILES:CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)NCCCCCCC(=O)NO)cc1F)(C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUFKAOLPLRQYBW-UHFFFAOYSA-N", "SMILES:CN(c1cc(Cl)nc(OCCC(=O)O)n1)c1cccc2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POTMBUSFAIMECV-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)c1cc(C(F)(F)F)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLIWTVFKPJEDN-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEROZVHGRTRQD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1N(C)c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZEZHWVXTWHGQC-UHFFFAOYSA-N", "SMILES:Cc1cccc(N(C)c2cc(Cl)nc(OCCC(=O)O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCOQTILCYIKIQE-UHFFFAOYSA-N", "SMILES:Cc1ccc(N(C)c2cc(Cl)nc(OCCC(=O)O)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPYNLCKOHGCPW-UHFFFAOYSA-N", "SMILES:CN(c1ccc(Cl)cc1)c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFNHWRODINRFIM-UHFFFAOYSA-N", "SMILES:CN(c1ccc(F)cc1)c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVNDQZJLOTZKLW-UHFFFAOYSA-N", "SMILES:CN(c1cccc(Cl)c1)c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQALOQGVFFIDNZ-UHFFFAOYSA-N", "SMILES:CN(c1cccc(C(F)(F)F)c1)c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBVUQIIFLJHGBC-UHFFFAOYSA-N", "SMILES:CN(c1cccc(Br)c1)c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYQCNKSOZBDVDY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(N(C)c2cc(Cl)nc(OCCC(=O)O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIHFKZAUQVJQGK-UHFFFAOYSA-N", "SMILES:CN(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAMAAFHCOWUAI-UHFFFAOYSA-N", "SMILES:CN(c1cc(Cl)cc(Cl)c1)c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNPAXYCKAUUTNU-UHFFFAOYSA-N", "SMILES:CN(c1cc(Cl)nc(OCCC(=O)O)n1)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFVNIEWYTNIXFX-UHFFFAOYSA-N", "SMILES:CN(c1ccc(Cl)c(Cl)c1)c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPTZZNBFUIMMM-UHFFFAOYSA-N", "SMILES:O=C(O)CCOc1nc(Cl)cc(N2CCc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJSYJHMUMOFQFD-UHFFFAOYSA-N", "SMILES:O=C(O)CCOc1nc(Cl)cc(N2CCCc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULHSIDIBGPFTEN-UHFFFAOYSA-N", "SMILES:O=C(O)CCOc1nc(Cl)cc(N2CCCCc3ccccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKMAKSJLDQLGSM-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1CCCN2c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGATQGLPUJLNP-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)N(c1cc(Cl)nc(OCCC(=O)O)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKGJWSOINUJCCX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2c(c1)N(c1cc(Cl)nc(OCCC(=O)O)n1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQCKCOGMKOHQU-UHFFFAOYSA-N", "SMILES:O=C(O)CCOc1nc(Cl)cc(N2CCCc3cc(Cl)ccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYLDRLPXHZJVCX-UHFFFAOYSA-N", "SMILES:O=C(O)CCOc1nc(Cl)cc(N2CCCc3ccc(Cl)cc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHRUVTVHBXYMH-UHFFFAOYSA-N", "SMILES:CC1CCc2ccccc2N1c1cc(Cl)nc(OCCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNTLIBYKHAHIIR-UHFFFAOYSA-N", "SMILES:CC1Cc2ccccc2N(c2cc(Cl)nc(OCCC(=O)O)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSEWJAUNCMNRKJ-UHFFFAOYSA-N", "SMILES:CC1CCN(c2cc(Cl)nc(OCCC(=O)O)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHIRVAZNBUWSQH-UHFFFAOYSA-N", "SMILES:CC1(C)CCN(c2cc(Cl)nc(OCCC(=O)O)n2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REKIESMZCCXUMP-UHFFFAOYSA-N", "SMILES:CN(c1cc(Cl)nc(OCCC(=O)O)n1)c1ccc(Cl)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDONKTZVXFGLDX-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)N(c1cc(Cl)nc(OCCC(=O)O)n1)CCC2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFGDRVCYGBRMC-UHFFFAOYSA-N", "SMILES:CC1CCN(c2cc(Cl)nc(OCCC(=O)O)n2)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUHUYRWQPWZBDH-NHCUHLMSSA-N", "SMILES:O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGNVSITZXREQST-DHIUTWEWSA-N", "SMILES:O=C1[C@H](c2ccc3c(c2)OCO3)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGVKNJMFMGKBIW-FGZHOGPDSA-N", "SMILES:O=C1[C@H](c2ccc3c(c2)OCO3)[C@@H](c2ccc(F)cc2)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUHHGBPJTRBDRL-NHCUHLMSSA-N", "SMILES:O=C1[C@H](c2ccccc2)[C@@H](c2ccccc2)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVQUCOHNPYQDRR-FGZHOGPDSA-N", "SMILES:Cc1ccc([C@@H]2[C@@H](c3ccc(F)cc3)C(=O)N2C2CCN(C(=O)n3cncn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDOBXVNKDLCBIH-NHCUHLMSSA-N", "SMILES:O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXOSFVMTNQPDNP-FGZHOGPDSA-N", "SMILES:COc1ccc([C@@H]2[C@@H](c3ccc(F)cc3)C(=O)N2C2CCN(C(=O)n3cncn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COQCIWLOVFZURQ-DHIUTWEWSA-N", "SMILES:COc1cccc([C@H]2C(=O)N(C3CCN(C(=O)n4cncn4)CC3)[C@@H]2c2cccc(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIFICQJBRKTWAA-FGZHOGPDSA-N", "SMILES:O=C1[C@H](c2cccc(F)c2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHJQDUDOIPSWTP-DHIUTWEWSA-N", "SMILES:COc1cccc([C@H]2C(=O)N(C3CCN(C(=O)n4cncn4)CC3)[C@@H]2c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJIKDPQULYFXDL-FGZHOGPDSA-N", "SMILES:O=C1[C@H](c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSALLVDCOJKRG-FGZHOGPDSA-N", "SMILES:COC(=O)c1ccc([C@@H]2[C@@H](c3ccc(F)cc3)C(=O)N2C2CCN(C(=O)n3cncn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZQNSQGVFBIFHN-FGZHOGPDSA-N", "SMILES:O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2ccnn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYBYLXKHKPMAIL-CLJLJLNGSA-N", "SMILES:O=C1[C@H](c2cccc(F)c2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCUULXMQMOWDOY-KAYWLYCHSA-N", "SMILES:COc1cccc([C@H]2C(=O)N(C3CCN(C(=O)n4nnc5ccccc54)CC3)[C@@H]2c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWAINDHOFTXGPS-CLJLJLNGSA-N", "SMILES:O=C1[C@H](c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLACAIBIVLGSSD-DHIUTWEWSA-N", "SMILES:O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccco2)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCLXYEAGJPJYDU-CLJLJLNGSA-N", "SMILES:O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSOQWYIEWGAPEL-JWQCQUIFSA-N", "SMILES:O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUBLNPLJLOMWAH-KAYWLYCHSA-N", "SMILES:O=C1[C@H](c2ccc3c(c2)OCO3)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFFVHKKYLEIPM-CLJLJLNGSA-N", "SMILES:O=C1[C@H](c2ccc3c(c2)OCO3)[C@@H](c2ccc(F)cc2)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHNCTPZVSCJIFX-JWQCQUIFSA-N", "SMILES:O=C1[C@H](c2ccccc2)[C@@H](c2ccccc2)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQMHWCAHZRBLS-DNQXCXABSA-N", "SMILES:O=C1[C@H](c2ccc(F)cc2)[C@@H](c2cccnc2)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQSGIIHGWNUIOI-FGZHOGPDSA-N", "SMILES:Fc1ccc([C@H]2C(=S)N(C3CCN(C(=S)n4cncn4)CC3)[C@@H]2c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRKLIKHAAAPQSJ-WOJBJXKFSA-N", "SMILES:O=C1[C@H](c2ccc(F)cc2)[C@@H](c2cccnc2)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBICIYXVOKIKKD-NHCUHLMSSA-N", "SMILES:O=C1[C@H](c2ccc3c(c2)OCO3)[C@@H](c2cccnc2)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHLITWGYWGXJAK-NHCUHLMSSA-N", "SMILES:COc1ccc([C@H]2C(=O)N(C3CCN(C(=O)n4cncn4)CC3)[C@@H]2c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEGCACULKANKDY-WOJBJXKFSA-N", "SMILES:O=C1[C@H](c2cccnc2)[C@@H](c2ccc(F)cc2)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRPIBUIIULUHS-NHCUHLMSSA-N", "SMILES:O=C1[C@H](c2cccnc2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJIUCCMVIGFSQF-JWQCQUIFSA-N", "SMILES:O=C1[C@H](c2ccc3c(c2)OCO3)[C@@H](c2cccnc2)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMQASXUWAFZAK-JWQCQUIFSA-N", "SMILES:COc1ccc([C@H]2C(=O)N(C3CCN(C(=O)n4nnc5ccccc54)CC3)[C@@H]2c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQVIXGDPAOWCHJ-DNQXCXABSA-N", "SMILES:O=C1[C@H](c2ccccc2)[C@@H](c2cccnc2)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLPYORCJRECSR-VQTJNVASSA-N", "SMILES:O=C1[C@@H](c2ccc(F)cc2)[C@@H](c2ccncc2)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQIQJJWMZHTQRW-FGZHOGPDSA-N", "SMILES:O=C(N1CCC(N2[C@H](c3ccc4c(c3)OCO4)[C@@H](c3ccccc3)S2(=O)=O)CC1)n1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXBBJWJUOSTTR-FGZHOGPDSA-N", "SMILES:O=C(N1CCC(N2C(=S)[C@H](c3ccc(F)cc3)[C@H]2c2ccc3c(c2)OCO3)CC1)n1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCLXYEAGJPJYDU-UIOOFZCWSA-N", "SMILES:O=C1[C@@H](c2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2nnc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3787346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRIROGBLGLPXQI-VXKWHMMOSA-N", "SMILES:O=C1[C@@H](c2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2cncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1697771", "category": ["biolink:ChemicalEntity"], "name": "REBAMIPIDE", "xref": ["InChIKey:ALLWOAVDORUJLA-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1"], "synonym": ["Rebamipide", "Rebamipide", "Rebamipida", "Rebamipide", "Mucosta", "Proamipide", "Rebamipide", "Rebator", "NSC-758955", "OPC-12759"], "chembl_natural_product": true}
{"name": "Ubiquitin-associated and SH3 domain-containing protein B", "xref": ["CHEMBL.TARGET:CHEMBL5725045"], "id": "UniProtKB:Q8TF42", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMYYZHTQSVKNY-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFCKMRVJFRNULR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC(Cc2cc(=O)[nH]c3ccccc23)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKYOWFUJPJNZBW-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)NC(Cc2cc(=O)[nH]c3ccccc23)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOLLEYXWWDYLEA-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)NC(Cc2cc(=O)[nH]c3ccccc23)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINKSFFMUUZTIY-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPGVJWDMVIPAZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)NC(Cc2cc(=O)[nH]c3ccccc23)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFQOBOFHFRSJTJ-UHFFFAOYSA-N", "SMILES:CCCCc1ccc(C(=O)NC(Cc2cc(=O)[nH]c3ccccc23)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCZPSMFMWLDCDB-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(C(=O)NC(Cc2cc(=O)[nH]c3ccccc23)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CICRNAAVEZYNSB-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACWAZPNCTSGRIS-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDWGQNMAAZVUQH-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHSRQBLXXIIRTO-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGEXFWVOFXOXAA-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPSHYEKOQUWASN-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZYGTVTMDESOE-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1C(=O)NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEMCQNZEVRLQTC-UHFFFAOYSA-N", "SMILES:O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Oc2ccc(C(=O)NC(Cc3cc(=O)[nH]c4ccccc34)C(=O)O)cc2)cc1"]}
{"name": "Ubiquitin-associated and SH3 domain-containing protein A", "xref": ["CHEMBL.TARGET:CHEMBL6067628"], "id": "UniProtKB:P57075", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRZGDSBHHYBZBO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)C(Sc2nc3cc(Cl)ccc3[nH]2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APIPMANLXNWRGZ-WJDWOHSUSA-N", "SMILES:CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NC3CCS(=O)(=O)C3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZQQTWVYSMWXTF-UHFFFAOYSA-N", "SMILES:O=C(CSCc1cccc2ccccc12)Nc1cc(Cl)c(O)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGMYXLGJGZMKLM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)COC(=O)C(CSCc2ccccc2)NC(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1511360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYNAEJIBGNVQPL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(C(S)=Nc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1503464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFYQQMDBKACYET-UHFFFAOYSA-N", "SMILES:CCCc1cc(O)nc(SCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1498710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEHDYWGXVJIVHH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSXYMSOIVDFCI-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCSSCCNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIWPWOKHNVBCBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccc(NC(=O)c2ccco2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDINPJXBYZQXSK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccc(OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYEUCDVTOMVMAH-UHFFFAOYSA-N", "SMILES:N#CC(C(=O)NCCNC(=O)C(C#N)C(=S)Nc1ccccc1)C(=S)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDSFUWITUGDVEQ-VGOFMYFVSA-N", "SMILES:N#C/C(=C\\c1cc(Cl)c(O)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFVMSUDSYWZOI-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(SC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHHMQVQXRTAMN-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(SC#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZAOSUQWKUZVGN-UHFFFAOYSA-N", "SMILES:C=CCc1c(C)nc(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGZDSLGVJWVEGD-UHFFFAOYSA-N", "SMILES:Nc1ccc(SC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFVKJVXYNPSEQH-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]c(SC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USCAPEHXOALVCU-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMRYKOXQMJWVCA-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]c(SCC(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAAZWMHTODZOOC-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLACXCGSKSLKLT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C(Sc1nc2cc(Cl)ccc2[nH]1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZTOFYJUIOIDMR-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVVTVALDNJJNKE-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(Cc2ccccc2)cc(=O)[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZZNWUNMEMRXJQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(CCc2ccccc2)cc(=O)[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPIHWKSRKABTCG-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(CCCc2ccccc2)cc(=O)[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OESACJVHFLOKSQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(CCCCc2ccccc2)cc(=O)[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQTSNUIAXRFMCA-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(Cc2ccc3ccccc3c2)cc(=O)[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXXGVMRHAZZSJZ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc(Cc2ccc(-c3ccccc3)cc2)cc(=O)[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKBALHDOXRICFD-UHFFFAOYSA-N", "SMILES:Cc1nc(SCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[nH]c(=O)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBFFDIRVSEDTJ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMMUWRBLCRJJFS-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)[nH]c(SC(C)C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXQARUNBIXAPAB-UHFFFAOYSA-N", "SMILES:O=C(CSc1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBBKDZPUESUOQY-UHFFFAOYSA-N", "SMILES:Nc1ccc(SCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSGBLPXKHUBFIJ-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAPUQVIRIXXXRJ-UHFFFAOYSA-N", "SMILES:CCCc1cc(=O)[nH]c(SC(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c2ccccc2)n1"]}
{"name": "NAD-dependent protein lipoamidase sirtuin-4, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5725111"], "id": "UniProtKB:Q8R216", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMLQLWQMZVNZOE-BUHFOSPRSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)CCC(=O)Nc3ccccc3N)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIDAZIJAYSBHP-CCEZHUSRSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)CCCC(=O)Nc3ccccc3N)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOLKRXJWAJCPEX-FOCLMDBBSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)CCCCC(=O)Nc3ccccc3N)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJIPMPHIUCJPHL-VAWYXSNFSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)Nc3ccccc3N)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYUCDQUWQAPXCJ-WYMLVPIESA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCCC(=O)Nc3ccccc3N)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIGYJJORYVWGC-BMRADRMJSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCCCCCC(=O)Nc3ccccc3N)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUWBCLDCSRIWGM-MDZDMXLPSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)CCC(=O)NO)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVEJRZHOAKHEHU-ZHACJKMWSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)CCCC(=O)NO)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNESBFDKBOQYRL-VAWYXSNFSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(=O)CCCCC(=O)NO)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONVWPLFNTVESG-BQYQJAHWSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)NO)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQXSHTVUDZWMPK-CSKARUKUSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCCC(=O)NO)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKZSTFAJJHHQIF-ACCUITESSA-N", "SMILES:COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCCCCCC(=O)NO)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRTNBSDXSDTPQA-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSCUBGAXIKYJL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(-c3nnn(Cc4cccc(F)c4)c3C)no2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMDQWJYKGNLPFY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(-c3nnn(Cc4cccc(F)c4)c3C)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYYYLVUGGHLMPH-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2nc(C)c(C(=O)N3CCCCCC3)s2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIQUTZSPPZJPN-UHFFFAOYSA-N", "SMILES:O=C(CSc1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQYBMWYQIQBLX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3c(s1)-c1ccccc1S(=O)(=O)C3)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPNHQYGRMITXDK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(C(=O)NCc3ccccc3)cc3occc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJAJEARBLLXKEO-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C)c(C(=O)N3CCCCC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNNBPUDOQRZEIT-UHFFFAOYSA-N", "SMILES:CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCC4(CC3)OCCO4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDJTTYCRYYTJFZ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1nc(CN(C)C(=O)Nc2cccc(C)c2C)c(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPMLHMLAXOTMO-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)n2nc(-c3cccnc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOBTVSFGDNOWAL-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWMRUXKQBJJQMY-UHFFFAOYSA-N", "SMILES:Cc1ccc(CN2Cc3cc4ccc(C)c(C)c4nc3OC2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGUSEFHMLNWVFB-UHFFFAOYSA-N", "SMILES:COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMRDRSZKDRKLDF-UHFFFAOYSA-N", "SMILES:COc1cccc(CN2CC=CCC(C3CCN(c4nc(C)cc(C)n4)CC3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCNJGBMWAZRVEA-UHFFFAOYSA-N", "SMILES:CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLIIYOSJNDUKLX-UHFFFAOYSA-N", "SMILES:CC(C)CN1C(=O)CCc2cc(NC(=O)Cc3cccc(F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCNJFKSLIYNLBN-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JINCZQCWTNPXNL-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(S(=O)(=O)N(C)C#C)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHNKGWONRDIKH-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc(S(=O)(=O)N(C)C#C)cc1)c1ccc(-c2nc3ccccc3s2)cc1"]}
{"name": "Fructose-bisphosphate aldolase A", "xref": ["CHEMBL.TARGET:CHEMBL2106"], "id": "UniProtKB:P04075", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEQIJZBJNUSDAE-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(C(c2ccc(Cl)cc2)N2CCN(C(=O)c3noc(C)c3[N+](=O)[O-])CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFUOBFISLHQJJJ-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHCRNUSFDLTSCW-INIZCTEOSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2nc(C#Cc3ccc4c(c3)nc(C)n4C)c(C(N)=O)c2NC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPLSRBVKFTLQU-ZWKOTPCHSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc4c(c3)nc(C)n4C)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVWDCOHXAEMCI-DLBZAZTESA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc4[nH]c(C)nc4c3)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQGJOSWZUAVFV-DLBZAZTESA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc4c(c3)ncn4C)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUUWTDVRBGAQCD-ZWKOTPCHSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc4c(c3)ncn4CC)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJVVXRNKGDZSSX-RBUKOAKNSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc4c(c3)ncn4C3CC3)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIQBEPAALNQBFG-VQTJNVASSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc4c(c3)nc(C)n4C3CC3)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXZKZGJKVZUSRL-ZWKOTPCHSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc4c(c3)nc(C(F)(F)F)n4C3CC3)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMUWQHVFXRNAMW-RBUKOAKNSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc4c(c3)ncn4C(C)(C)C)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVUXLVYBASDKOX-ZWKOTPCHSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3cc4ncn(C5CC5)c4cc3F)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314537", "category": ["biolink:ChemicalEntity"], "name": "RESIGRATINIB", "xref": ["InChIKey:YXVDEILMUVTDMK-JKSUJKDBSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3c(F)cc4c(ncn4C4CC4)c3F)c(C(N)=O)c2NC)C[C@@H]1COC"], "synonym": ["Resigratinib", "Resigratinib", "Resigratinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRWGJEGSNQCDOR-ZWKOTPCHSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3cc4ncn(C(C)C)c4cc3F)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOJIDFRCFXQSL-RBUKOAKNSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3cc4ncn(C5CCC5)c4cc3F)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDDXIDPAWAFIMB-ZWKOTPCHSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3cc4ncn(C5(C)CC5)c4cc3F)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODJYOEFFPIQYEF-ZWKOTPCHSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3cc4ncn(C5(C#N)CC5)c4cc3F)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWWCRJOEPEAFT-VQTJNVASSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3cc4ncn(C5CC5)c4cc3C)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGHVRJQMLUCCL-ZWKOTPCHSA-N", "SMILES:C=CC(=O)N1C[C@@H](n2nc(C#Cc3cc4ncn(C5CC5)c4cc3Cl)c(C(N)=O)c2NC)C[C@@H]1COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMTYDGYYZOIXRG-INIZCTEOSA-N", "SMILES:C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc4ncn(C5CC5)c4cc3Cl)c(C(N)=O)c2NC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNLMNCKBXYKVCA-VHPXAQPISA-N", "SMILES:CCN(CC)c1ccc2cc(/C=C/c3ccc4cc(F)c(NCCN5CCCC5)cc4[n+]3C)c(=O)oc2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIFRXDNGUUYGCD-BNSHTTSQSA-N", "SMILES:CCN(CC)c1ccc2cc(/C=C/c3ccc4cc(F)c(NCCN5CCCCC5)cc4[n+]3C)c(=O)oc2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWCZDWAKBJZHI-LBEJWNQZSA-N", "SMILES:CCN(CC)c1ccc2cc(/C=C/c3ccc4cc(F)c(NCCCN5CCOCC5)cc4[n+]3C)c(=O)oc2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNAHKTOVTOHHRD-BNSHTTSQSA-N", "SMILES:CCN(CC)c1ccc2cc(/C=C/c3ccc4cc(F)c(NCCCN5CCCC5)cc4[n+]3C)c(=O)oc2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWFCHNYHXUMBBQ-GVYCEHEKSA-N", "SMILES:CCN(CC)CCCNc1cc2c(ccc(/C=C/c3cc4ccc(N(CC)CC)cc4oc3=O)[n+]2C)cc1F.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAPVWURQNRNBA-BNSHTTSQSA-N", "SMILES:CCN(CC)c1ccc2cc(/C=C/c3ccc4cc(F)c(NCCCN(C)C)cc4[n+]3C)c(=O)oc2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAGSJPIHOPMKCO-GEEYTBSJSA-N", "SMILES:CCCCN(CCCC)CCCn1cc(CNc2cc3c(cc2F)c(N2CCN(C)CC2)cc(/C=C/c2cc4ccc(N(CC)CC)cc4oc2=O)[n+]3C)nn1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPCNQLMCKZOLT-UHFFFAOYSA-M", "SMILES:CCN(CC)c1ccc2cc(/C=C/c3cc(N4CCCN(C)CC4)c4cc(F)c(N5CCCN(C)CC5)cc4[n+]3C)c(=O)oc2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOUZYHQMGYWWGG-UHFFFAOYSA-M", "SMILES:CCN(CC)c1ccc2cc(/C=C/c3ccc4cc(F)c(N5CCN(C)CC5)cc4[n+]3C)c(=O)oc2c1.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABPXXZSEZHZFDW-UPRYYZOXSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHHBZOXAICYOC-AGNVZGTKSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFDCQRZPORLXOO-TXHCRLGRSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSCCC3=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEVABZKDGIDKRG-SLKPVVLPSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CSCCC3=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVBIUWTVUOFMI-YOSJPWRZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACZPJXFACLGNKI-WFSACEHWSA-N", "SMILES:CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSUOLYRCFVTRLI-HNCMDZIJSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEUATBXNHMZYOB-OABXPQGKSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJLWWOGDBXDNJW-AKSVVZABSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSAADMRBEXHXPK-ZEQHVHRHSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)(C)C)NC(=O)C(Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOELHKCQRUMLHO-QRTSBAHYSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(=O)O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YELKSFVFPJMMQS-WNODGANGSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMEAICUDMWVBEE-AKSVVZABSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUVUBFLUUCXXPT-OQCJWFJHSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRAQWAGKGDKQG-DCUZESQSSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](C)N(C)C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVJHKMIOHIOQIP-CSULOYFPSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(Cc2cccc4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVQRJDOLMYXSMT-FHTXGMEWSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUQVWBVCMKPTNC-NJANSKRQSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)(C)C)NC(=O)C(Cc2cn(C)c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPKMZYPYISAMS-FPUJPARASA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](Cc2cn(C)c4ccccc24)NC(=O)[C@H](C)N(C)C1=O)C(=O)N[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKDNFDWAMKFIR-SFQYOCGDSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)C(CC(=O)O)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)C(Cc2cn(C)c4ccccc24)NC(=O)[C@H](C)N(C)C1=O)C(=O)N[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSVXPKVDCTWRU-OQCJWFJHSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](Cc2cn(C)c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)c(Cl)c1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKTRIGTWRITGJO-JHENUTQVSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](Cc2cccc4ccccc24)NC(=O)[C@H](C)N(C)C1=O)C(=O)N[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXOIGXOKJAGUQN-HAQFKNNNSA-N", "SMILES:C=CCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSZGCMPATUEIC-IHKJWWQKSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC/C=C\\CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(N)=O)CSCCC3=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALSZGCMPATUEIC-JCCVMCOCSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC/C=C/CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(N)=O)CSCCC3=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGBOOBJYMVRQHO-FCDAVOGYSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(N)=O)CSCCC3=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKNSBQUNQYJBJW-HWLIXZHZSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCCC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(N)=O)CSCCC3=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSOATAVCGKYZJQ-HAQFKNNNSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCCCC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(N)=O)CSCCC3=O)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRDBTOATHXTHI-AVZKPYDUSA-N", "SMILES:CC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAFUHLRRULJSU-AKSVVZABSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKPNNVIZDVCQZ-AKSVVZABSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2CC2)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULDDMIKWIRLMRN-OQCJWFJHSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2CCCC2)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPNWMCBTLRYQSZ-POCXIMRXSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBJDOVDGIPZCIZ-RPYBKBAGSA-N", "SMILES:CCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXRWXAIDLBHJST-ZISLDXOSSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRNNMBGVCMMTBE-AKSVVZABSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUNVDPGFSCYZBU-XZNVYLCOSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNZCBVCTRHRQLG-XZNVYLCOSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKYYGIJKEMUIMJ-AKSVVZABSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGOVWZUTBWNIHD-AKSVVZABSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1F)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXHVRYIVCHBSQG-AKSVVZABSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)c(Cl)c1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMYFFKYXDDCPA-XDODRLFFSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccsc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZOXXDXYHULMOO-AKSVVZABSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVLOSMCYKAYISR-DIAUVYRXSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSOLGEDGIRZCFN-DIAUVYRXSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSVKMPLEHXHTA-ULDRUZOZSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCS[C@H](CC(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)CSCCC3=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUXZQOMKGFEFQL-AKSVVZABSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFBDXVJSGDPNSQ-OQCJWFJHSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIJCSRVVSSYHSL-XZNVYLCOSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCTUSJDJCCHFCB-RPYBKBAGSA-N", "SMILES:CC(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)CSCCC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OORXIOWGDLQGMD-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CCCCC(NC(=O)c2cc(NC(=O)c3cc(C)cc(C)c3OC)cc(B(O)O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNRLMLGEMQLRMX-QFIPXVFZSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2cc(C)cc(C)c2OC)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGGGHNAIUHCVPC-UHFFFAOYSA-N", "SMILES:CCNC(=O)N1CCCCC(NC(=O)c2cc(O)cc(NC(=O)c3cc(C)cc(C)c3OC)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNGQOHVHFXGHM-RUZDIDTESA-N", "SMILES:CNC(=O)[C@H](NC(=O)c1cc(NC(=O)c2cc(OC)c3ccc(OC)cc3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNGQOHVHFXGHM-VWLOTQADSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2cc(OC)c3ccc(OC)cc3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZJXTIZODMEDV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cccc(B(O)O)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOGMEJUYRKTIIK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(N)=O)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOAJJDLKLZRTSV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)O)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKJDVZMHDMFDLC-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(NC(=O)c2cc(OC)c3ccc(OC)cc3n2)cc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEJUAJVOKTTYNK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(NC(=O)c2cc(OC)c3ccc(OC)cc3n2)cc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVZLVLYMBWMTMV-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)N(C)C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZEWRONEUJFOLM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)NC(C)C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIIPKRRSTUVGDE-OAQYLSRUSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)N[C@@H](C(N)=O)C(C)C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIIPKRRSTUVGDE-NRFANRHFSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)N[C@H](C(N)=O)C(C)C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSPOVGREJRFLGM-GFCCVEGCSA-N", "SMILES:CNC(=O)[C@@H](C)NC(=O)c1cc(NC(=O)c2cc(OC)c3ccc(OC)cc3n2)cc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDBGGTVUMHGCKI-QFIPXVFZSA-N", "SMILES:COC[C@H](NC(=O)c1cc(NC(=O)c2cc(OC)c3ccc(OC)cc3n2)cc(B(O)O)c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWHHDNDKJCDSN-UHFFFAOYSA-N", "SMILES:COCC(C)NC(=O)c1cc(NC(=O)c2cc(OC)c3ccc(OC)cc3n2)cc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANOFSWIIEQJNKJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)NCC(C)OC)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRPGRZWGDIQVPS-INIZCTEOSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)N[C@H]4CCCOC4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRPGRZWGDIQVPS-MRXNPFEDSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)N[C@@H]4CCCOC4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYJXZVOFLDMLW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)NCC(C)C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHJRDYVINFAGIH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)N(C)Cc4ccccc4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMUAOPWCVOTHGF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)N4CC(OC5CC5)C4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEMYDSISIDOMHF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)N4CCCC4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCCWMVJBFUGUPD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(OC)cc(C(=O)Nc3cc(B(O)O)cc(C(=O)N4Cc5ccncc5C4)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OENAFUSISDUPOV-OAQYLSRUSA-N", "SMILES:CNC(=O)[C@H](NC(=O)c1cc(NC(=O)c2cc(Cl)cc3c2OCC(=O)N3)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDWFXLQTRQPHB-WBPHRXDCSA-N", "SMILES:CNC(=O)[C@H](NC(=O)c1cc(NC(=O)C(C)Oc2c(C)cccc2C)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNRLMLGEMQLRMX-JOCHJYFZSA-N", "SMILES:CNC(=O)[C@H](NC(=O)c1cc(NC(=O)c2cc(C)cc(C)c2OC)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRWQRPPIIVSHAG-HXUWFJFHSA-N", "SMILES:CNC(=O)[C@H](NC(=O)c1cc(NC(=O)c2cc(OC)ccn2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESBTLBDOMTXNR-LJQANCHMSA-N", "SMILES:CNC(=O)[C@H](NC(=O)c1cc(NC(=O)c2nc(C)ncc2OC)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUYIACTXZUMHZ-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2cc(OC)c3ccccc3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUVAQCLEKXGOD-VWLOTQADSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2cc(OC)c3cc(OC)ccc3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJUDYBZJDNXZQB-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMRCKNYZVBEWCU-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2cc(C)c3ccccc3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFXPOQIUSKLVDY-IBGZPJMESA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMXDHPRFWDVRI-QHCPKHFHSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2ccc3ccccc3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNXKMNBOSJIVAL-QHCPKHFHSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2cc3ccccc3cn2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIACLQRORTWIRB-QHCPKHFHSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2cnc3ccccc3c2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFWQJUTWCNOUDE-QFIPXVFZSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2nccc3ccccc23)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJCBZFRZCRLUGS-QFIPXVFZSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2ccc3ncccc3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVHGKFNQHBVRNK-QFIPXVFZSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2ccc3ccncc3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQJPELKKJONSJP-NRFANRHFSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2ccc3cccnc3n2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHJRIXWSZVPDAK-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNLUGIYLNERPL-VWLOTQADSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2ccc3cc(OC)ccc3c2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUZBQLNKJLZBQM-VWLOTQADSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2ccc3ccc(OC)cc3c2)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHYAZUOOJQZHOO-NRFANRHFSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2cc(F)cc3nccnc23)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANUUVOZYCVZFGM-QFIPXVFZSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1cc(NC(=O)c2cc3c(c(OC)c2)OCC(=O)N3)cc(B(O)O)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOONOMQWYQJZAW-UHFFFAOYSA-N", "SMILES:CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(-c4ccccc4)c3)C(=O)CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVNNTQUXZBPDJI-TVTIKPGJSA-N", "SMILES:C[C@H]1[C@@H](OC(=O)c2ccccc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEZLGTVQHVUUNM-UEHFCBIJSA-N", "SMILES:C=CC[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4065591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAJSYLWSYBXRPS-UEHFCBIJSA-N", "SMILES:C[C@H]1[C@@H](CCCO)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUEXJFMZIXQAEM-GDUPHFKNSA-N", "SMILES:C[C@H]1[C@@H](CCCN2CCNCC2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHZAUQPIXQHJOZ-LRYONAJMSA-N", "SMILES:C#CCN(CCC[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)CCC1(C)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331309", "category": ["biolink:ChemicalEntity"], "name": "DEOXYARTEMISININ", "xref": ["InChIKey:ZQGMLVQZBIKKMP-NNWCWBAJSA-N", "SMILES:C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5571836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOXWOCICFEBCQ-PMERELPUSA-N", "SMILES:CN1CCN([C@H]2CC(F)(F)c3cc(NC(=O)c4ccc(F)c(C#Cc5cncc(N6CCOCC6)c5)c4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMLPCBKZIXENAI-PMERELPUSA-N", "SMILES:CN1CCN([C@H]2CC(F)(F)c3cc(NC(=O)c4cccc(C#Cc5cncc(N6CCOCC6)c5)c4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWCUYDDWUFSZAY-MHZLTWQESA-N", "SMILES:COc1cncc(C#Cc2cc(C(=O)Nc3ccc4c(c3)C(F)(F)C[C@@H]4N3CCN(C)CC3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUEOPKLYMQIMHS-LJAQVGFWSA-N", "SMILES:COCCOc1cncc(C#Cc2cc(C(=O)Nc3ccc4c(c3)C(F)(F)C[C@@H]4N3CCN(C)CC3)ccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRLWPBYTMKRQR-LJAQVGFWSA-N", "SMILES:CN1CCN([C@H]2CC(F)(F)c3cc(NC(=O)c4ccc(F)c(C#Cc5cncc(N6CCC6)c5)c4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYZGPGTYYBZNE-LJAQVGFWSA-N", "SMILES:CN1CCN([C@H]2CC(F)(F)c3cc(NC(=O)c4cccc(C#Cc5cncc(N6CCC6)c5)c4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWQDNUJHNJRJI-YYFFUPGQSA-N", "SMILES:Cc1cccc([C@H](C)C[C@H](C)CO)c1/C=C/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1241462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNHTGWDWVCFSI-UHFFFAOYSA-N", "SMILES:c1cc(-c2cc(C3CCNCC3)n[nH]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDVBMCJTMRMBAH-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cc(C3CCNCC3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOWWDOPHBNIPFQ-UHFFFAOYSA-N", "SMILES:c1cc(-c2cc(C3CCNCC3)n[nH]2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRGAAKHZHYXCX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(C3CCNCC3)n[nH]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBKWOSSKSMBOO-UHFFFAOYSA-N", "SMILES:Fc1cnccc1-c1cc(C2CCNCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMSWOZRBQZNES-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2cc(C3CCNCC3)n[nH]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZLCRTSGXWPJNS-UHFFFAOYSA-N", "SMILES:Clc1cnccc1-c1cc(C2CCNCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFZMLYJTDQFEX-UHFFFAOYSA-N", "SMILES:Clc1cc(-c2cc(C3CCNCC3)n[nH]2)cc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUCFVGOXMYZEQI-UHFFFAOYSA-N", "SMILES:Clc1cncc(Cl)c1-c1cc(C2CCNCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFPOXVFPALJXFM-UHFFFAOYSA-N", "SMILES:Brc1cnccc1-c1cc(C2CCNCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRDADMUYUNCQDD-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2cc(C3CCNCC3)n[nH]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFMHQNVQNCZFJZ-UHFFFAOYSA-N", "SMILES:Nc1ncccc1-c1cc(C2CCNCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAVINHSQSZLJGI-UHFFFAOYSA-N", "SMILES:c1cc(-c2cc(C3CCNCC3)n[nH]2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHFRDMJDZWLGPB-UHFFFAOYSA-N", "SMILES:CNc1cc(-c2cc(C3CCNCC3)n[nH]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGMLEARQJXKDU-UHFFFAOYSA-N", "SMILES:CCNc1cc(-c2cc(C3CCNCC3)n[nH]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUWYCBUADQRBSX-UHFFFAOYSA-N", "SMILES:CN1CCC(c2cc(-c3ccncc3)[nH]n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OABZCSRIUJSDSD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(C)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQISPBMBFILRC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3C)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSFFKMREEXGZKD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccnn3C)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMUOMLKZPIVCGM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHYSXGNDHEBBH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cn(C)nc3C)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHHFPRPOWXPKQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cn(CC)nc3C)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRRMGRBRPQOBHC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(-n4nccc4C)cc3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYNUYXYPAKCPL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALUKOGUZZFLFJA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)nc3ccc(F)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFLSSNSXWZUSE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)nc3ccc(Br)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROJSNAJFPXXHHM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)nc3cc(C(F)(F)F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKOROBXWQAJTBA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)nc3cccc(Cl)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCRJCMJUBDLUGU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)nc3cc(Cl)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOXCIQWVESFMPM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)nc3cccc(F)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHQUSOYITYDRFV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)nc3cc(F)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCHNDUSRWAGJES-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(CC)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWTIFEOPXKTZNP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C(C)(C)C)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGNIZKKLSWTRAN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(CCOC)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLDLPUGNKIHRSX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(CC(F)(F)F)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVVMGTYAQYLDBK-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C4CCOCC4)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJCZJXBTNYWHC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWMRLUISWJYGJV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(CCN4CCOCC4)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEZXMBCCQFJESX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cn[nH]c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVWUNSJNUYXCQB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(Br)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWRAQSGBSMXLNJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3C)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOMGEKIPRJMQQZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2nc(Nc3cc(C(F)(F)F)n(C)n3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXVIKIRZKJWAN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1Nc1nc(Nc2cnn(C)c2)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USKAZELKZQMYFY-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)nc3ccc(Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3426891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJSYUQCKWEFRW-QGZVFWFLSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(NC[C@H]4CCCO4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMUWDCIIGOTRX-UHFFFAOYSA-N", "SMILES:CC(N)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SENODEWAGNYQJB-UHFFFAOYSA-N", "SMILES:CC(N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCOICKFQEQBZDZ-AWEZNQCLSA-N", "SMILES:N[C@@H](CO)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKMXPTTZTJSLMY-HNNXBMFYSA-N", "SMILES:COC[C@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCOICKFQEQBZDZ-CQSZACIVSA-N", "SMILES:N[C@H](CO)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPTZIQFKFZNLCG-MRXNPFEDSA-N", "SMILES:CC(C)[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZFORINNXBZSTD-INIZCTEOSA-N", "SMILES:CC(C)(C)[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWICIFYZIWFRKZ-SJKOYZFVSA-N", "SMILES:CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBIUJPOLIUVVSH-HXUWFJFHSA-N", "SMILES:N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSTXVVUPIOKWSB-OAQYLSRUSA-N", "SMILES:CN(C(=O)[C@H](N)Cc1ccccc1)c1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJPQYYXAYMFLW-HXUWFJFHSA-N", "SMILES:N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBXXIZAAUJYBTO-OAQYLSRUSA-N", "SMILES:COc1ccc(C[C@@H](N)C(=O)Nc2ccc(-c3ccnc4[nH]ccc34)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYRNEIYLCYWMD-HXUWFJFHSA-N", "SMILES:N[C@H](Cc1cccc(O)c1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQECKHRMQMEFQF-OAQYLSRUSA-N", "SMILES:COc1cccc(C[C@@H](N)C(=O)Nc2ccc(-c3ccnc4[nH]ccc34)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQDRFKODMABANK-QGZVFWFLSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQDRFKODMABANK-KRWDZBQOSA-N", "SMILES:CC(C)C[C@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXOGEJLZWALYOS-GOSISDBHSA-N", "SMILES:CN[C@H](CC(C)C)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTDGWJOKPGBERN-LJQANCHMSA-N", "SMILES:CC(C)C[C@H](C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQEZQODHHFAJQF-UHFFFAOYSA-N", "SMILES:CC(C)CCC(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEZGHJIZOVFHLJ-QGZVFWFLSA-N", "SMILES:CC(C)C[C@@H](O)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXVBJUVOCGLXHC-UHFFFAOYSA-N", "SMILES:CC(C)CC(CN)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBYXTRGNBXLHMO-OAHLLOKOSA-N", "SMILES:CC(C)C[C@@H](N)CC(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQPIMJFYEPUPLA-GOSISDBHSA-N", "SMILES:CC(C)CC[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNVWDINESRDNCY-QGZVFWFLSA-N", "SMILES:N[C@H](CC1CC1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNIYOYNBACNDAZ-GOSISDBHSA-N", "SMILES:N[C@H](CC1CCC1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZKLCOBCRQFHJ-LJQANCHMSA-N", "SMILES:N[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMYHAQYNDUYMT-QGZVFWFLSA-N", "SMILES:CC(C)(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCMCHJYGBFFBBO-MRXNPFEDSA-N", "SMILES:COc1cc(-c2ccnc3[nH]ccc23)ccc1NC(=O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGVHVZYIXARPET-QGZVFWFLSA-N", "SMILES:Cc1cc(-c2ccnc3[nH]ccc23)ccc1NC(=O)[C@H](N)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASTIWIIQXWHZEC-MRXNPFEDSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLEFUFUDENOWLL-GOSISDBHSA-N", "SMILES:Cc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXJCDFVRJCEWGF-GOSISDBHSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEMDFGMRHWMYFW-QGZVFWFLSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNKNEVGIJMESDH-LJQANCHMSA-N", "SMILES:CCc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTCYCMCAMAPQQA-QGZVFWFLSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)c(C(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLQIEWPEIBBNHN-QGZVFWFLSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JENLLCYZFDMMTR-QGZVFWFLSA-N", "SMILES:COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHZHZWRRRZXSNF-MRXNPFEDSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)c(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUAMAECCJLUMAH-QGZVFWFLSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKGDWKUNRUZTAF-OAHLLOKOSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILMZTCHQXXLOV-MRXNPFEDSA-N", "SMILES:Cc1cc(NC(=O)[C@H](N)CC(C)C)ncc1-c1ccnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VORLRKHFHRAZDR-MRXNPFEDSA-N", "SMILES:Cc1cc(NC(=O)[C@H](N)CC(C)C)cnc1-c1ccnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJRMIVZEEQINBO-MRXNPFEDSA-N", "SMILES:Cc1nc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVQJGXLUPRDZGP-GFCCVEGCSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1nc(-c2ccnc3[nH]ccc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URAZOUIZVICYES-OAHLLOKOSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDGCJKIRXZYKNK-OAHLLOKOSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc(N)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABXCJWRVCXWEGV-QGZVFWFLSA-N", "SMILES:Cc1cnc2[nH]ccc2c1-c1ccc(NC(=O)[C@H](N)CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMPGMGZEUQLZQJ-GOSISDBHSA-N", "SMILES:Cc1cc2c(-c3ccc(NC(=O)[C@H](N)CC(C)C)cc3)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KITVZXXEQNBPOL-LJQANCHMSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVSNTAODIQQMHG-MRXNPFEDSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELRHQDVXQJRGQ-MRXNPFEDSA-N", "SMILES:CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]c(C(F)F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWFLCCUCTRIHOJ-LJQANCHMSA-N", "SMILES:Cc1cc2c(-c3ccc(NC(=O)[C@H](N)CC(C)C)cc3C)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOJVROSIRINJT-LJQANCHMSA-N", "SMILES:Cc1cc2c(-c3ccc(NC(=O)[C@H](N)CC(C)(C)C)cc3C)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEXNZWDGYJFNW-MOPGFXCFSA-N", "SMILES:Cc1cc2c(-c3ccc(NC(=O)[C@H](N)[C@@H](O)C(C)C)cc3C)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAEXNZWDGYJFNW-RBUKOAKNSA-N", "SMILES:Cc1cc2c(-c3ccc(NC(=O)[C@@H](N)[C@H](O)C(C)C)cc3C)ccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYWLZINJPRNWFF-GOSISDBHSA-N", "SMILES:Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc(N)cc3)C1=N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHXRZSZBSWPCKL-LJQANCHMSA-N", "SMILES:Cc1cc2c(-c3ccc(NC(=O)[C@H](N)CC(C)(C)C)cc3C)cncc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3739711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATCMNCWZQLATOI-FQEVSTJZSA-N", "SMILES:COc1ccc(C[C@@H]2CCCN2C(=O)c2nc(C)sc2-c2cccc(C)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFVCMFATFJQCO-QHCPKHFHSA-N", "SMILES:Cc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@H]2Cc2cccc(-c3ncccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIEKUZAHPSOMLB-QFIPXVFZSA-N", "SMILES:Cc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@H]2Cc2cccc(-n3cccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKMDDLIDHJBFZ-NRFANRHFSA-N", "SMILES:Cc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@H]2Cc2cccc(-n3ccnn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYRKCIQITPJUGV-NRFANRHFSA-N", "SMILES:Cc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@H]2Cc2cccc(-n3nccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASRRZAOIXPOCE-NRFANRHFSA-N", "SMILES:Cc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@H]2Cc2cccc(-c3ncon3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNSHSGXVIAKESW-QFIPXVFZSA-N", "SMILES:Cc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@H]2Cc2ccc(-n3nccn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3905808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFOKYTZDYMGETB-SFHVURJKSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCC[C@H]1Cc1cccc(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3917550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQIZGRDRKSOBSA-IBGZPJMESA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H]2Cc2cccc(-n3nccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFXBOTJWXUOBKK-IBGZPJMESA-N", "SMILES:O=C(c1ccccc1-c1ncccn1)N1CCC[C@H]1Cc1cccc(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJEHIUNVVNIFIA-NRFANRHFSA-N", "SMILES:Cc1cccc(-c2nccnc2C(=O)N2CCC[C@H]2Cc2cccc(-n3nccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTJSBLRSNYOCE-NRFANRHFSA-N", "SMILES:Cc1cccc(-c2ncncc2C(=O)N2CCC[C@H]2Cc2cccc(-n3nccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEABXMFDQNNMBX-FQEVSTJZSA-N", "SMILES:Cc1nc(C(=O)N2CCC[C@H]2Cc2cccc(-n3nccn3)c2)c(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTPFVJZEZVSIP-IBGZPJMESA-N", "SMILES:Cc1nc(C(=O)N2CCC[C@H]2Cc2cccc(-n3nccn3)c2)c(-c2ccc3c(c2)OCO3)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3981385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYUBRYYCCNWARR-FQEVSTJZSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCCC[C@H]2Cc2cccc(-n3nccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSBGDZDWZASOAJ-HXUWFJFHSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCNC[C@H]2Cc2cccc(-n3nccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQRRTXWUYXPFEP-HXUWFJFHSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3901346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCNLIVZSGOZAEH-LJQANCHMSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3933467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERGNQKZFUFHEN-HXUWFJFHSA-N", "SMILES:Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c1-n1nccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3892369", "category": ["biolink:ChemicalEntity"], "name": "NIVASOREXANT", "xref": ["InChIKey:GKPHAIOJCHBZCT-HXUWFJFHSA-N", "SMILES:Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1"], "synonym": ["Nivasorexant", "Nivasorexant", "Nivasorexant"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSXAXFNVPYUUSU-HXUWFJFHSA-N", "SMILES:Cc1cccc(-n2nccn2)c1C(=O)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3952970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEFAZNLAURABKO-OAQYLSRUSA-N", "SMILES:Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVDTYWMMKIXOA-GOSISDBHSA-N", "SMILES:O=C(c1cccc(F)c1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3960556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCNZPQHXWUCBEP-LJQANCHMSA-N", "SMILES:O=C(c1ccc(F)cc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBYUIVSHGPNIW-LJQANCHMSA-N", "SMILES:O=C(c1cc(F)ccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMLQNVCQIIPQLS-GOSISDBHSA-N", "SMILES:O=C(c1c(F)cccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3930115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRZOKJFVVJMJLC-LJQANCHMSA-N", "SMILES:COc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3949919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBKFZFKBHRMPJ-LJQANCHMSA-N", "SMILES:COc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3924228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVGUKJNRFNLDS-WIYYLYMNSA-N", "SMILES:Cc1ccc(C(=O)N2[C@H](Cc3cccc(-n4nccn4)c3)COC[C@H]2C)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCVGUKJNRFNLDS-GHTZIAJQSA-N", "SMILES:Cc1ccc(C(=O)N2[C@H](Cc3cccc(-n4nccn4)c3)COC[C@@H]2C)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3946474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAZJJGYLDZHNW-GHTZIAJQSA-N", "SMILES:Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3915416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDAZJJGYLDZHNW-WIYYLYMNSA-N", "SMILES:Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQOCTXBEIMJQF-XMSQKQJNSA-N", "SMILES:Cc1ccc(C(=O)N2CCO[C@H](C)[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQOCTXBEIMJQF-PGRDOPGGSA-N", "SMILES:Cc1ccc(C(=O)N2CCO[C@@H](C)[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3938981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCNAOSLUJKVML-LJQANCHMSA-N", "SMILES:Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(-n3nccn3)ccc2F)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNLXALPSUPUEOW-GOSISDBHSA-N", "SMILES:Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2F)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3971116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKDLAIJHCOJRF-HXUWFJFHSA-N", "SMILES:Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(F)cc(-n3nccn3)c2)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHEQMGRTEIENAJ-LJQANCHMSA-N", "SMILES:Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(-n3nccn3)ccc2Cl)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3904485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHCFJSPYOKYPR-HXUWFJFHSA-N", "SMILES:Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(Cl)cc(-n3nccn3)c2)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRQCKASOXSZLKU-OAQYLSRUSA-N", "SMILES:Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(-n3nccn3)ccc2C)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3895130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSAPJEHSDZGZQP-HXUWFJFHSA-N", "SMILES:Cc1ccc(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(-n3nccn3)c2)c(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1557663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMSGKLLRPBBRLP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1343771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRPCZFMZJNESBJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEYDAIIBWDBFAO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCAVABCLYBQWCR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3182446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSTLESFKEAYFOR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYSRKKVZDQGYDT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIJSOMHUEWLUNS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUJRKAQTRBVQP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Br)c1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGILAFQSYPLSV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYLYVYMONCSAQK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Br)c(F)c1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJVSOYAPWRTBDY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(F)c1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHCJQLASOULTSV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVATLQYDZJBMZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFBWRNRNLGAXHK-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1328587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVOPYDWCVPDXKU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMMLZWNYIVVPOH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1392842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMTQNBFLWOSGAE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXRPDGLNFPRTNF-ORCRQEGFSA-N", "SMILES:O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(F)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL339630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGBZORAISITZTF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCNCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL439626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBRYKBOTSCJNG-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(C(=O)c3ccccc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSPGKCOTIHRKU-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(CCN)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLKJDJPAXMVIII-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(CCCN)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRMWYXZCXRIJKZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(CCCCN)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFLAYSSVPSFMD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc(N)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPUHMYLKLRNDH-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3cccc(N)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVNXDQNWYKXSTB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc(CN)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWORPMFCVCYKBL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3cccc(CN)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPBTEJRMFTBGA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3cccc(NC(=O)c4ccccc4)c3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCOJFUXTLUJRR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc(C(=O)O)cc3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUERHLJABPQYPK-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAMZRWVEXQNDAS-UHFFFAOYSA-N", "SMILES:Nc1ccc(CN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL106891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRPBEXXXEBUOEC-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRYNUQMGDVCYIJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC(CCN2C(=O)c3ccccc3C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCSQAXFSPXIRD-UHFFFAOYSA-N", "SMILES:Nc1ccc(CN2CCC(CCN3C(=O)c4ccccc4C3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHAAJOKSVQDMOC-UHFFFAOYSA-N", "SMILES:Nc1cccc(CN2CCC(CCN3C(=O)c4ccccc4C3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJWFXDPQIPCHJF-UHFFFAOYSA-N", "SMILES:NCc1ccc(CN2CCC(CCN3C(=O)c4ccccc4C3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKMYURRASXCLH-UHFFFAOYSA-N", "SMILES:NCc1cccc(CN2CCC(CCN3C(=O)c4ccccc4C3=O)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107723", "category": ["biolink:ChemicalEntity"], "name": "ACOTIAMIDE", "xref": ["InChIKey:TWHZNAUBXFZMCA-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC"], "synonym": ["Acotiamide", "Acotiamide", "Acotiamida"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5564284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPJCLKKASYEIIF-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(C)NC(=O)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQWLTTZOKKYDM-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(C)NC(=S)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBHWCHDMSNZHD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSLWYKOYZUIXSB-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRHRLXJWAANTMZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJDJUXUYWFQJHO-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSFWINATQNXDQX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(CCl)NC(=O)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTHTKJKPXKNOK-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJVADXDMSROAMM-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(c2ccccc2)NC(=S)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZYLJPXOWJKLPJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(c2ccc(F)cc2)NC(=O)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRZJXDMGANBTE-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(c2ccc(F)cc2)NC(=S)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFYDLGWWJSLENL-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(c2ccc(Cl)cc2)NC(=O)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGQCEANEMDCFH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUOVVZLDHAYRJJ-UHFFFAOYSA-N", "SMILES:NC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMZLLOGVBCGIFV-UHFFFAOYSA-N", "SMILES:NC(=O)C1=C(c2ccccc2)NC(=S)NC1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCSJVUZBWQZKPJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNJOGMGWOARMQT-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(=Cc2ccc(S(N)(=O)=O)cc2)C(=O)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXUNOXZFVHSUQD-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2)cc(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIDAPSMPLIINPO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1S2)c1c(-c2ccccc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYPIMQRSPFCDC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc3ccccn3c2C(=O)c2ccc3c(c2)Nc2ccccc2S3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DACZRQKGYCWLEJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccccn3c2C(=O)c2ccc3c(c2)Nc2ccccc2S3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKNPPZVGDLCHOV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1S2)c1c(-c2ccc(Br)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTWICBJGJHIDC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1S2)c1c(-c2ccc(Cl)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSHLDGBXQMVNAG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1S2)c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRHZPZJHWZVNES-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1S2)c1nc2ccccn2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUUOMPQNXBZVDO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c(C(=O)c3ccc4c(c3)Nc3ccccc3S4)nc3ccccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATIPPFZBTURLHN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1S2)c1nc2ccccn2c1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYSBNMDPWNCLP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1S2)c1nc2ccccn2c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORCQPMVMGCNCEQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1S2)c1nc2ccccn2c1-c1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVZNDYZNETYNBU-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2Sc2ccc(C(=O)c3c(-c4ccccc4)nc4ccccn34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXACSLWFEBWRKU-UHFFFAOYSA-N", "SMILES:CCCCN1c2ccccc2Sc2ccc(C(=O)c3c(-c4ccccc4)nc4ccccn34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFAHLIRCVJRNMT-UHFFFAOYSA-N", "SMILES:CCCCN1c2ccccc2Sc2ccc(C(=O)c3c(-c4ccc(Br)cc4)nc4ccccn34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEHRJVPAGNJNKJ-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2Sc2ccc(C(=O)c3c(-c4ccc(Cl)cc4)nc4ccccn34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISHDQAUZRQVTQ-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2Sc2ccc(C(=O)c3c(-c4ccc([N+](=O)[O-])cc4)nc4ccccn34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAZFHIDRZMHEW-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc3ccccn3c2C(=O)c2ccc3c(c2)N(C)c2ccccc2S3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFIJELMCTMNMTQ-UHFFFAOYSA-N", "SMILES:CCCCCN1c2ccccc2Sc2ccc(C(=O)c3c(-c4ccc([N+](=O)[O-])cc4)nc4ccccn34)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFQXKEKBBOGNJW-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1[S+]2[O-])c1c(-c2ccc(Cl)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDDBACDUZZZTRQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1S2(=O)=O)c1c(-c2ccc(Cl)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBFYLVSWWJMYCQ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1[S+]2[O-])c1c(-c2ccccc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCZUYNXPHRZZJN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1S2(=O)=O)c1c(-c2ccccc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZERRBHXDWBBQHO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)Nc1ccccc1[S+]2[O-])c1c(-c2ccc(Br)cc2)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVZJYDTUNDEXFS-UHFFFAOYSA-N", "SMILES:CCCCN1c2ccccc2Sc2ccc(C(=O)c3nc4ccccn4c3-c3ccc(Br)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBFUQUPNPPXTGQ-UHFFFAOYSA-N", "SMILES:CN1c2ccccc2Sc2ccc(C(=O)c3nc4ccccn4c3-c3ccc([N+](=O)[O-])cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXVPJVAXOLKEE-NUDBAZLPSA-N", "SMILES:CC1=C/C(=N\\OC(=O)c2ccc(CNC(=O)CCc3cn(CCCCCCOCCOCCNC(=O)CC4C5CC6CC(C5)CC4C6)nn3)cc2C)C(C)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVNIKHIIDHMKH-XKFUUNAUSA-N", "SMILES:CC1=C/C(=N\\OC(=O)c2ccc(CNC(=O)CCc3cn(CCCCCCOCCOCCNC(=O)[C@H](C)CCC4C5CC6CC(C5)CC4C6)nn3)cc2C)C(C)=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRZGRNBMUQNJFY-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCCCCCCCCNC(=O)c4cccc(SCc5cn(-c6cccc(C(=O)NO)c6)nn5)c4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSHXPSPXVRDMH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(-n2cc(CSc3ccccc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL75978", "category": ["biolink:ChemicalEntity"], "name": "5-DEMETHYLNOBILETIN", "xref": ["InChIKey:DOFJNFPSMUCECH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5569157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXZSWNFKWJEHAY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)c(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5570728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZJOOMLXWWDHHV-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1cnc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMYRHIWBNXQFNP-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1-c1ccc(-c2cn(CCCCCCC(=O)NO)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SELDFFFQCMDDJR-AWEZNQCLSA-N", "SMILES:C[C@H](NC(=O)c1nc(-c2ncc(-c3ccccc3)s2)sc1C1CC1)c1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPGXGACITWQHMB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(=O)NO)cc1)Nc1ccc2ncnc(Nc3ccc(Br)c(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFOVYDNKQLKORL-LTGZKZEYSA-N", "SMILES:Cc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCCCCCC(=O)NO)c([N+](=O)[O-])c2)c(Oc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGCPAZUDKGVDA-UHFFFAOYSA-N", "SMILES:CN(c1ccccc1)c1ncc(NC(=O)CS)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXOIHARTZVCSDE-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2c(c1)OC1(CCN(Cc3cc(F)cc(F)c3)CC1)CC2=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOPZOMXEYDPFS-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2c(c1)OC1(CCN(Cc3cc(Cl)cc(Cl)c3)CC1)CC2=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSYIKRGVAJNXPU-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCN(C(=O)Nc2ccnc3ccccc23)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAMCVZKONRQIRK-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc2ncccc2c1)Nc1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMWLMKHMTNFJFT-VWLOTQADSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDHLHLFXALPGF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)Cc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDZDGAYOUCIOR-UHFFFAOYSA-N", "SMILES:Cc1c2ccc(N(C)c3ccnc(Nc4ccc(NC(=O)CCCCCCC(=O)NO)cc4)n3)cc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGUMXBGLAVPKY-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCN1CCN(c2ccc(Nc3ncc(F)c(-c4cn(C5CCCC5)nn4)n3)cc2)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOUYYTQPVHOXLH-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1ccc(CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOMVOIXTBFMCLR-UHFFFAOYSA-N", "SMILES:O=C(CS)Nc1ccc(Cn2c3c(c4ccccc42)CS(=O)(=O)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4536929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEJONNSHVNSZBJ-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1cccn1-c1ccc(F)cc1"]}
{"name": "Activator of 90 kDa heat shock protein ATPase homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL3309113"], "id": "UniProtKB:O95433", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1671971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBBIOCQFTMNSJI-PXNMLYILSA-N", "SMILES:COc1cc(/C=C2\\SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORBZCGMLHAHSPL-WWMOSFEBSA-N", "SMILES:O=C1C[C@H](NC(=O)[C@@H]2CCCN3C(=O)CC[C@H](NC(=O)c4nccc5ccccc45)C(=O)N23)[C@H](O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCSKOLUEVVFRNM-WMCAAGNKSA-N", "SMILES:CC(C(=O)N[C@H](C=O)CC(=O)O)n1cccc(NC(=O)CCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTFLQYCMCPOSAS-OAQYLSRUSA-N", "SMILES:O=C[C@@H](CC(=O)O)NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL68669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTFCKUHAUSPAPY-FQEVSTJZSA-N", "SMILES:O=C[C@H](CC(=O)O)NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBRJYHAHWQEBPG-AVKWCDSFSA-N", "SMILES:CC(C(=O)N[C@@H](C=O)CC(=O)O)n1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL293979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIKMAFZEIMZOGL-XIRDDKMYSA-N", "SMILES:O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccc(OCC(=O)O)cc3)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL299288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXAUXHBXAIZBIR-RCBQFDQVSA-N", "SMILES:O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3F)C(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHMKIWUMWSZLE-HNNXBMFYSA-N", "SMILES:Cc1cc(Oc2ccccc2S(=O)(=O)N[C@H](C=O)CC(=O)O)ccc1C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTEHKBJNCLKNEL-INIZCTEOSA-N", "SMILES:CCC(C)(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@H](C=O)CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXFZECOLQARHSM-INIZCTEOSA-N", "SMILES:CCC(C)(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@H](C=O)CC(=O)O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNTOPIQKUZXNNH-ZDUSSCGKSA-N", "SMILES:O=C[C@H](CC(=O)O)NS(=O)(=O)c1ccccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUKWIKJCKVNLHC-AWEZNQCLSA-N", "SMILES:Cc1cccc(S(=O)(=O)N[C@H](C=O)CC(=O)O)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNHGXUAHVPJPQ-HNNXBMFYSA-N", "SMILES:O=C[C@H](CC(=O)O)NS(=O)(=O)c1ccccc1-c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMNRYZDTZMQOS-KEXXGOCASA-N", "SMILES:CC(C)C(NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CN=[N+]=[N-])CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCTRKZUJXPNQIL-INIZCTEOSA-N", "SMILES:CC(C)(NC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)N[C@H](CN=[N+]=[N-])CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRLWCLSUNUKSS-GXOJGJIOSA-N", "SMILES:C[C@H](NC(=O)C(NC(=O)c1ccc2ccccc2c1)C(=O)O)C(=O)N[C@H](CN=[N+]=[N-])CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEIPTHDVEUSVCA-BCHVBWPQSA-N", "SMILES:C[C@H](NC(=O)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)O)C(=O)N[C@H](CN=[N+]=[N-])CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL167557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGWZMPFPJCRMQG-UHFFFAOYSA-N", "SMILES:O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL422379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNMHHHHHHDQDN-UHFFFAOYSA-N", "SMILES:O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMJRVASBDOVFL-VUIBPRDZSA-N", "SMILES:CC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL165535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGCNZGGRBVHIMY-ZKZAAWJASA-N", "SMILES:C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWZOQIZRODZXML-YXHHPBIRSA-N", "SMILES:O=C(CN1C(=O)[C@@H](NC(=O)c2ccccc2)CN(C(=O)CCc2ccccc2)c2ccccc21)N[C@H]1CC(=O)OC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWZOQIZRODZXML-ALGPGZRESA-N", "SMILES:O=C(CN1C(=O)[C@H](NC(=O)c2ccccc2)CN(C(=O)CCc2ccccc2)c2ccccc21)N[C@H]1CC(=O)OC1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL115090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJECINJFNZWONV-MBMZGMDYSA-N", "SMILES:CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNSGOBIJYABKE-PMCHYTPCSA-N", "SMILES:CCCCCCNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL366456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLZAXYQZEJDROW-UXMRNZNESA-N", "SMILES:CCCCNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL368313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOUNVWLOOBFRKP-XLTVJXRZSA-N", "SMILES:CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL176584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGGRNFQPDREAD-QBHOUYDASA-N", "SMILES:CCCCCCN(C)CC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1412861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBGLGTAQLROFTM-IVXSZDMTSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL202060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDXKQFUGOHHYGE-HMTLIYDFSA-N", "SMILES:O=C[C@H](CC(=O)O)NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL377298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTITSUJYFGSGN-IBGZPJMESA-N", "SMILES:O=C[C@H](CC(=O)O)NC(=O)CCCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAHXAEZPSDVZAI-RDUQOIKYSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CCCCCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL31803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZSYROXMXVMKLR-KKVFFSDCSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CCCCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PABZSOUNSSUXIN-VSPOGIRPSA-N", "SMILES:CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPGKPGJAPADYFS-XAXKJMDRSA-N", "SMILES:CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL90307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUDGJBLALZRKFR-YJBOKZPZSA-N", "SMILES:CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTKYDJPXCCXECN-NRFANRHFSA-N", "SMILES:O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COIXDGILCMEBAI-DEOSSOPVSA-N", "SMILES:O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1222835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSDQSIQOSIODCX-IBGZPJMESA-N", "SMILES:O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1223107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGARDTWSNATSAW-FUZAWCRISA-N", "SMILES:O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1C(=O)C2C3C=CC(O3)C2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNJYNTYQQZVFE-KXBFYZLASA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)Cc1c(Cl)cccc1Cl)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGBPNTMPNPGUMG-LIRRHRJNSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVNQGPHSUECHK-UHFFFAOYSA-N", "SMILES:O=C(O)CC(NC(=O)C(NC(=O)OCc1ccccc1)c1ccccc1)C(=O)COC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIWKCPUQLGQGOY-UHFFFAOYSA-N", "SMILES:COC(=O)CC(NC(=O)C(NC(=O)OCc1ccccc1)c1ccccc1)C(=O)COC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1234397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGFYXXJBAZZOHF-FUDKSRODSA-N", "SMILES:CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CC(=O)NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPAUFUZZNCVKJ-DHIFEGFHSA-N", "SMILES:CCCCN(CC(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1)C(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQGZNWGGNJSAZ-ZQAZVOLISA-N", "SMILES:CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N(CCCn1ccnc1)CC(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBQBBPDFRVGOII-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAMYFJTZLUVTRH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(C(N)=O)c(Cl)nn2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMRJIMYTGHJRAT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1c(F)cc(-c2cc(C(N)=O)c(Cl)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRPRKCBPTRKVON-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2sc(-c3ccccc3Cl)cc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDGQXLYKXXTQPI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-n2sc(-c3ccccc3Cl)cc2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFIIPYZCLKFGRM-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2Cl)sn1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL432519", "category": ["biolink:ChemicalEntity"], "name": "TINGENONE", "xref": ["InChIKey:WSTYNZDAOAEEKG-GWJSGULQSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL292578", "category": ["biolink:ChemicalEntity"], "name": "PRISTIMEROL DIACETATE", "xref": ["InChIKey:VYYRGVRXCDJOGG-SAQIBKBSSA-N", "SMILES:COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(cc(OC(C)=O)c(OC(C)=O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5572589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLXTXBSZLUAEU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFONFUUWORSPO-UHFFFAOYSA-N", "SMILES:Cl.Cl.O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(NCCNCCO)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDXQVOZSTKOTEI-UHFFFAOYSA-N", "SMILES:COc1ccc(/C(N)=N/OC(=O)C(C)c2ccc3cc(OC)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USCLPEOPODGVER-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(C)C(=O)O/N=C(\\N)c3ccc4c(c3)OCO4)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVOCLEYRFIKCEN-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(C)C(=O)O/N=C(\\N)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2435602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDLHSLNTPGPLCE-VULFUBBASA-N", "SMILES:COc1ccc(-c2nnc(N/N=C/c3ccc4c(c3)OCO4)nc2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFQBCFSKBKDIDG-GNUCVDFRSA-N", "SMILES:CC(=O)c1cc2ccc(OC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)cc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLXNYJYKFABMY-VCHYOVAHSA-N", "SMILES:CC(C)=CCC/C(C)=C/CCC(C)CCOc1cccc2oc(=O)c(C(=O)O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRTMFJUMTRDGPM-UKTHLTGXSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)c2cc(-n3cc(CN4C(=O)C(=O)c5ccccc54)nn3)ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZBVXKJRVOQVHN-YRNVUSSQSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)c1cc(-n2cc(CN3C(=O)C(=O)c4ccccc43)nn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTCFRFXRKBIDFS-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C(=O)N1c1nc2cc([N+](=O)[O-])ccc2n1Cc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUZDYYDYUNCUQN-ZMOGYAJESA-N", "SMILES:NS(=O)(=O)c1ccc(NCCC(=O)N/N=C/c2ccc(-c3ccc(Br)s3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL277525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZBWBNCQUTXYEL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAUBARALXQKENX-UHFFFAOYSA-N", "SMILES:N=C(Nc1ccc2c(c1)CNCC2)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSACSOOYFUXTIP-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(NC(=N)c3cccs3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZYYGPEOZUVAE-ZTRFORPCSA-N", "SMILES:COC(=O)C[C@H](NC(=O)[C@@H](C)NCCC1CCCCC1)C(=O)N[C@H](C)C(=O)N[C@@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAHRQBZPFJZDAQ-UHFFFAOYSA-N", "SMILES:Cc1nnc2c(NCCNC(=O)OC(C)(C)C)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMKXMPUAROVWKY-UHFFFAOYSA-N", "SMILES:Cc1nnc2c(NCCCNC(=O)OC(C)(C)C)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTRLHOLYPZODT-UHFFFAOYSA-N", "SMILES:Cc1nnc2c(NCCCCNC(=O)OC(C)(C)C)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHHMWQPDJMNSQD-UHFFFAOYSA-N", "SMILES:Cc1nnc2c(NCCCCCNC(=O)OC(C)(C)C)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGLHMIASSDPWJW-UHFFFAOYSA-N", "SMILES:Cc1nnc2c(NCCCCNC(=O)OC(C)(C)C)nc3cc(C(=O)O)ccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPISLGBRKJFEFJ-UHFFFAOYSA-N", "SMILES:Cc1nnc2c(NCCCCNC(=O)c3ccccc3)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGZBACNXZCGYNJ-UHFFFAOYSA-N", "SMILES:Cc1nnc2c(NCCCCNC(=O)c3ccccc3Cl)nc3ccccc3n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAPOLFVZKFHOBG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)nc(NCCCCNC(=O)CC(C)C)c1nnc(C)n12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKCWHHYUMFGOPY-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPQDTNJCCOFBNQ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1c[nH]c2ccnc(Nc3ccc(Oc4ccnc5cc(OCC(C)(C)O)ccc45)c(F)c3)c2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZIZRJFBDUUQNT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2c[nH]c3ccnc(Nc4ccc(Oc5ccnc6cc(OCC(C)(C)O)ccc56)c(F)c4)c3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSVDEYENWRMCL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c[nH]c3ccnc(Nc4ccc(Oc5ccnc6cc(OCC(C)(C)O)ccc56)c(F)c4)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIZWSBWIAVPBR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2c[nH]c3ccnc(Nc4ccc(Oc5ccnc6cc(OCC(C)(C)O)ccc56)c(F)c4)c3c2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBXCUWAHPDQBE-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2c[nH]c3ccnc(Nc4ccc(Oc5ccnc6cc(OCC(C)(C)O)ccc56)c(F)c4)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBIYXUNQZYBRC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c[nH]c3ccnc(Nc4ccc(Oc5ccnc6cc(OCC(C)(C)O)ccc56)c(F)c4)c3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQMZBEHEUJDCNM-UHFFFAOYSA-N", "SMILES:CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(Cl)cc6)c(=O)c45)cc3F)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPOOZLXEYDPHFI-UHFFFAOYSA-N", "SMILES:CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(Br)cc6)c(=O)c45)cc3F)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRDGZPOCAQZKMY-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cccc(C)c2)c(=O)c2c(Nc3ccc(Oc4ccnc5cc(OCC(C)(C)O)ccc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBGSTRWPZHSCTD-UHFFFAOYSA-N", "SMILES:COCCn1cc(-c2cccc(C)c2)c(=O)c2c(Nc3ccc(Oc4ccnc5cc(OCC(C)(C)O)ccc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQVWTQMEFOONTI-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc(C)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc5cc(OCC(C)(C)O)ccc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCLJQTOGBRCCMK-UHFFFAOYSA-N", "SMILES:COCCn1cc(-c2ccc(C)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc5cc(OCC(C)(C)O)ccc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDXRRFVBRTNPY-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc(C)c(C)c2)c(=O)c2c(Nc3ccc(Oc4ccnc5cc(OCC(C)(C)O)ccc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPZXJMNEQEUBK-UHFFFAOYSA-N", "SMILES:COCCn1cc(-c2ccc(C)c(C)c2)c(=O)c2c(Nc3ccc(Oc4ccnc5cc(OCC(C)(C)O)ccc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGANBWHQUWTFD-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nccc5[nH]cc(-c6cccc(C)c6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IELXVRGBXDSTMS-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cccc(C)c2)c(=O)c2c(Nc3ccc(Oc4ccnc5cc(OC)c(OC)cc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMXFKJMRDGGNKM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6cccc(C)c6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZITNHVVJPXCI-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(C)cc6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZFAMUMVJZGJNK-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5c4c(=O)c(-c4cccc(C)c4)cn5C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGFIHCKPCBQABH-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cccc(C)c2)c(=O)c2c(Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTVRIBMVWAZOJP-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Oc3ccc(Nc4nccc5c4c(=O)c(-c4ccc(C)cc4)cn5C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVYVSTMPCPXIIT-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2ccc(C)cc2)c(=O)c2c(Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)nccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZZBEVKWMQCPFH-MUFRIFMGSA-N", "SMILES:CC1(CC/C=N/Nc2nc3ccccc3s2)CCc2cc(OCc3ccc(F)cc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLKITZXILLNFB-RVDKCFQWSA-N", "SMILES:CC1(CC/C=N/Nc2ncc(Cl)cc2C(F)(F)F)CCc2cc(OCc3ccc(F)cc3)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFZJFWIWKNCNB-ISOALGDESA-N", "SMILES:C/C(=C\\CCC1(C)CCc2cc(OCc3ccc(F)cc3)ccc2O1)CC/C=N/Nc1ncc(Cl)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMMHFIXEGEFIX-ONEGZZNKSA-N", "SMILES:CN(C)C(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMOACDUCFPQII-ZZXKWVIFSA-N", "SMILES:CC(C)C(=O)NCc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HARCURBCOSECGP-ONEGZZNKSA-N", "SMILES:CC(C)C(=O)Nc1ccc(/C=C/Cc2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSFIRJEMJOOLX-HWKANZROSA-N", "SMILES:CC(C)C(=O)Nc1ccc(C/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCFNXZACHSXYTP-AATRIKPKSA-N", "SMILES:COc1ccc(/C=C/c2ccc(NC(=O)N(C)C)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTIMQUBHRJZWCR-AATRIKPKSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)N(C)C)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTHBGDBQGCXEFM-SNAWJCMRSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)N(C)C)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOZAUZANVZPTRA-SNAWJCMRSA-N", "SMILES:COc1ccc(/C=C/c2ccc(NC(=O)N(C)C)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XENVFNBOWIKFDV-ONEGZZNKSA-N", "SMILES:CN(C)C(=O)Nc1ccc(/C=C/Cc2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGRJZZRKELWAJX-HWKANZROSA-N", "SMILES:CN(C)C(=O)Nc1ccc(C/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZMZBXQFNQZHGU-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Nc1ccc(CCc2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYXUTCWXJKNHLI-OQLLNIDSSA-N", "SMILES:CN(C)C(=O)Nc1ccc(/C(C#N)=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GADQDNCZMHHSBR-ONEGZZNKSA-N", "SMILES:CC(C)CNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCZGWZJIJRYBI-ONEGZZNKSA-N", "SMILES:CC(C)CCNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKVIFHNRIJHBQI-AATRIKPKSA-N", "SMILES:CCC(CC)NC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FECCCOGDSUONIW-YWVDXFKGSA-N", "SMILES:C[C@@H](O)CNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FECCCOGDSUONIW-IBUXWKBASA-N", "SMILES:C[C@H](O)CNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNQHOTWEDPLAG-ONEGZZNKSA-N", "SMILES:CCC(=O)N1CCN(C(=O)Nc2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYQNSBRAZLAEB-ONEGZZNKSA-N", "SMILES:CCC(=O)N1CCC(NC(=O)Nc2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZCFFCOCOIDXBG-OWOJBTEDSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTUNVGSRLRNVFG-AATRIKPKSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)NCC(C)C)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZWKSSVFOBSXRA-SNAWJCMRSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)NCC3CCN(C)CC3)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASOTMKNCFTKCF-ONEGZZNKSA-N", "SMILES:COc1cc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJZPUBAPBGTSO-SNAWJCMRSA-N", "SMILES:COc1ccc(/C=C/c2ccc(NC(=O)NCC(C)C)cc2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXEFJSNQCPUPQV-ONEGZZNKSA-N", "SMILES:CC(C)CNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHCGLKLICTKQV-HWKANZROSA-N", "SMILES:CC(C)CNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXRYBRXMMXPVHB-GQCTYLIASA-N", "SMILES:Cc1cc(NC(=O)NCC(C)C)ccc1/C=C/c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDXXLOBOULVLCZ-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/c2ccc3c(c2)OCO3)ccc1NC(=O)NCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIPLMKJGMGZMCA-HWKANZROSA-N", "SMILES:CC(C)CNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBADAJIFJPPDDW-JXMROGBWSA-N", "SMILES:COc1cc(/C=C/c2ccc(CNC(=O)NCC(C)C)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANDFCIIAGECCB-ZZXKWVIFSA-N", "SMILES:CC(C)CNC(=O)Cc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDYNQGYLYBNAAV-VOTSOKGWSA-N", "SMILES:CC(C)CNC(=O)Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASTPXMIVFLYIHQ-VOTSOKGWSA-N", "SMILES:CC(C)CCNC(=O)Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYAFTOAWLRUZHG-URWSZGRFSA-N", "SMILES:C[C@@H](O)CNC(=O)Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYAFTOAWLRUZHG-GFUIURDCSA-N", "SMILES:C[C@H](O)CNC(=O)Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIDRPPJVIBMBC-SNAWJCMRSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSLBMYDHUGQRN-SNAWJCMRSA-N", "SMILES:O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVCCYCRAZUCMHO-CMDGGOBGSA-N", "SMILES:COc1cc(/C=C/c2cccc(NC(=O)NCC(C)C)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNPHVLAOBDESOK-VOTSOKGWSA-N", "SMILES:COc1cc(/C=C/c2cccc(NC(=O)NCC3CCOCC3)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQHSNSSPWKJBL-BQYQJAHWSA-N", "SMILES:COc1cc(/C=C/c2cccc(NC(=O)NCC3CCN(C)CC3)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZOLDZZKDPIGC-BQYQJAHWSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc(/C=C/c2cccc(NC(=O)c3ccccn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IODWOBIUCMOQJZ-BQYQJAHWSA-N", "SMILES:O=C(Cc1ccccn1)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPTQKIIECDWSTA-VOTSOKGWSA-N", "SMILES:O=C(Cc1cccnc1)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXAMHFXDTBTMQU-SNAWJCMRSA-N", "SMILES:O=C(Cc1ccncc1)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNPNKISJAJEUSD-VOTSOKGWSA-N", "SMILES:O=C(Cc1ccc2ncccc2c1)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIZURRRYNHJKEI-CMDGGOBGSA-N", "SMILES:O=C(Cn1ccc2ccccc21)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKPYCAQAQMYRHY-OUKQBFOZSA-N", "SMILES:O=C(Cn1c2ccccc2c2ccccc21)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPCLVUWLOMUZMM-SNAWJCMRSA-N", "SMILES:O=C(Cc1ccccn1)Nc1ccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTYLFPFLTHOBJN-BQYQJAHWSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc(/C=C/c2cccc(C(=O)NCc3ccccn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTDXOMEYWTOHC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccn1)Nc1cccc(NC(=O)c2ccc(NC(=O)NCC3CCOCC3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPDQDJFCAUDKU-NSCUHMNNSA-N", "SMILES:CN1CCN(C(=O)Nc2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHPZRMZXXSREZ-NSCUHMNNSA-N", "SMILES:CN1CCC(NC(=O)Nc2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFQJZLWPHPZNDW-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Oc4ccccc4)cc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQJTPDRPZDTEM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ccc2nc3c(c(N)c2c1)CCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBXQTVPEEXIIMM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1ccc2nc3c(c(N)c2c1)CCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZZWLICYVMBDY-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ccc3nc4c(c(N)c3c2)CCC4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBIRHHLOYOHQCB-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2ccc3nc4c(c(N)c3c2)CCC4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCUZOHTQWWBFO-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc3nc4c(c(N)c3c2)CCC4)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJUXLWOPBMFTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc3nc4c(c(N)c3c2)CCC4)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDIXWVWHBLRRSX-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Oc4ccc(Cl)cc4)cc13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYNVHUPHQZPMHT-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Oc2ccc3nc4c(c(N)c3c2)CCC4)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJHTBPZGFZWSG-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Oc2ccc3nc4c(c(N)c3c2)CCC4)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDHCQMWOJIKDFO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2ccc3nc4c(c(N)c3c2)CCC4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJARTXHBQXGAV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ccc2nc3c(c(N)c2c1)CCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAEZRHQAXNPZLN-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1ccc2nc3c(c(N)c2c1)CCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FICDIHOPMQGUPX-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ccc3nc4c(c(N)c3c2)CCCC4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRRGULMTQSEFPX-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2ccc3nc4c(c(N)c3c2)CCCC4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKUMVIRWAHUKNC-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc3nc4c(c(N)c3c2)CCCC4)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBCLJMCDYKQGAQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc3nc4c(c(N)c3c2)CCCC4)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUCOTYFIXDMQL-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Oc4ccc(Cl)cc4)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDUVTPRSPQDQSG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Oc2ccc3nc4c(c(N)c3c2)CCCC4)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYDYLLFIUIZSRU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2ccc3nc4c(c(N)c3c2)CCCC4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIEJPWHTHRTVKU-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Oc4ccccc4)cc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBUUUIJASGVPFC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ccc2nc3c(c(N)c2c1)CCCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCYSKZWNVYNOFZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1ccc2nc3c(c(N)c2c1)CCCCC3.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHCGDXSCEXFHOI-UHFFFAOYSA-N", "SMILES:Cc1cccc(Oc2ccc3nc4c(c(N)c3c2)CCCCC4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNNHHAWXORIRR-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2ccc3nc4c(c(N)c3c2)CCCCC4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXJDCEIBSCUVGU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ccc3nc4c(c(N)c3c2)CCCCC4)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQWVMPODRPXDPD-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2ccc3nc4c(c(N)c3c2)CCCCC4)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KORNXNRKSYGQII-UHFFFAOYSA-N", "SMILES:Cl.Nc1c2c(nc3ccc(Oc4ccc(Cl)cc4)cc13)CCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKXCDQWZTQQNAQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Oc2ccc3nc4c(c(N)c3c2)CCCCC4)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFVJDFLVEWAWSC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Oc2ccc3nc4c(c(N)c3c2)CCCCC4)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFKHKOZYFWZDAJ-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3ccc(Oc4ccccc4)cc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2234942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGSPFYMTKYJRPR-AWNIVKPZSA-N", "SMILES:COC(=O)N/N=C/c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USUXTOMOJXDWFB-MKMNVTDBSA-N", "SMILES:COC(=O)N/N=C/c1coc2ccc(OC)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKWKWSHLVUXNEE-MKMNVTDBSA-N", "SMILES:COC(=O)N/N=C/c1coc2cc(OC)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJUZROJXXHOZNU-VXLYETTFSA-N", "SMILES:O=C(N/N=C/c1coc2ccccc2c1=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZVAGAQJZNJAPW-KEBDBYFISA-N", "SMILES:COc1ccc2occ(/C=N/NC(=O)OCc3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNJRBVAMCQZUKX-KEBDBYFISA-N", "SMILES:COc1ccc2c(=O)c(/C=N/NC(=O)OCc3ccccc3)coc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKVNQMICWIARL-AWNIVKPZSA-N", "SMILES:CN/N=C/c1coc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBGCHNHODLJXPR-MKMNVTDBSA-N", "SMILES:CN/N=C/c1coc2ccc(OC)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULDZUXCDMSBTM-MKMNVTDBSA-N", "SMILES:CN/N=C/c1coc2cc(OC)ccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4462870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKKXCPZQKHHECC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C)c2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOIWKZLSWINMZ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2noc(C)c2-c2ccc(OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJYIQSSYSCXWLH-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2c(-c3ccc(OC)cc3)noc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMAAIUYNKXWRKV-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2c(-c3ccc(OC)cc3)noc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHWTOHACOGWLF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWVDCJQZOKLSM-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OCCCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRLMVOYAFHNRK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2c(-c3ccc(OC)cc3)noc2CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPVYGOVUPVFOES-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2c(-c3ccc(OC)cc3)noc2CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAHZHUSIOKPGKQ-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2c(-c3ccc(OC)cc3)noc2CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBZNKFAWPCCOIA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFDNYHCTWLMIAB-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2noc(C)c2-c2ccc(OCCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCXELVKSDZGTJ-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(-c2c(-c3ccc(OC)cc3)noc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFMZITXZPYNTOS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C)c2-c2ccc(OCc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAJVVLFHGVHUPC-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OCCC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJUOIVVGPFMWJG-UHFFFAOYSA-N", "SMILES:C=CCc1cccc(-c2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)[nH]2)c1OC(=O)COC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL361504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTWADCRLRQMDW-UHFFFAOYSA-N", "SMILES:CCc1onc(-c2ccccc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL365033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXIRUKJWLADSJS-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275809", "category": ["biolink:ChemicalEntity"], "name": "FR-122047", "xref": ["InChIKey:UBHKJRYGKOSQDJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(C(=O)N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5574567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUYYZQVSUWCEQX-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N)cc1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5070941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMHYAQLYAFULCU-VXKWHMMOSA-N", "SMILES:C=CC[C@H](NC(=O)CCl)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSGWUPZVRFBOU-GOTSBHOMSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCl)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYEUKAQPQWGZPP-UIOOFZCWSA-N", "SMILES:O=C(CCl)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUWNIFLXDQDUPP-UIOOFZCWSA-N", "SMILES:O=C(CCl)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSGWUPZVRFBOU-XZOQPEGZSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCl)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFMTMNGFMVGGP-GOTSBHOMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCl)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXZLFSQTSDLFDU-ZEQRLZLVSA-N", "SMILES:C=CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUSGWUPZVRFBOU-PKTZIBPZSA-N", "SMILES:CC(C)C[C@@H](NC(=O)CCl)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMPMAHWIENRJCW-IBGZPJMESA-N", "SMILES:O=C(CCl)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFSVTZTESJTCN-UIOOFZCWSA-N", "SMILES:O=C(CS)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUPQECCZXKLCPT-CHQNGUEUSA-N", "SMILES:CC(C)C[C@H](NC(=O)CCl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBCEBQLGULQEC-SFTDATJTSA-N", "SMILES:C=CC[C@H](NC(=O)CCl)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STQLCSNVCWYLPP-IRXDYDNUSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBRQRVLAKRVJZ-YGPDHOBYSA-N", "SMILES:C=CC[C@H](NC(=O)CCl)C(=O)N[C@@H](CC=C)C(=O)N[C@H](CNCc1ccccc1)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZGYENRPNKRLP-UFYCRDLUSA-N", "SMILES:COC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWWQVIZIUYBQB-JHLQHZFVSA-N", "SMILES:CC(C)C[C@@H](C(=O)NCC12CC3CC(CC(C3)C1)C2)N(Cc1ccccc1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSFPWOYQHAARGK-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDYITBDCOOAELN-UHFFFAOYSA-N", "SMILES:O=C(NCC(O)C(F)(F)F)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZOLFOPEGZITRE-GOSISDBHSA-N", "SMILES:COC(=O)[C@@H](CO)NC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZOLFOPEGZITRE-SFHVURJKSA-N", "SMILES:COC(=O)[C@H](CO)NC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUQYPSOIMCCYOM-UHFFFAOYSA-N", "SMILES:O=C(NC(CO)CO)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEKCFJYMFUHPJ-GOSISDBHSA-N", "SMILES:CC[C@H](CO)NC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJEKCFJYMFUHPJ-SFHVURJKSA-N", "SMILES:CC[C@@H](CO)NC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRNVXBNVBKRLOB-KRWDZBQOSA-N", "SMILES:O=C(NC[C@H](O)CO)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRNVXBNVBKRLOB-QGZVFWFLSA-N", "SMILES:O=C(NC[C@@H](O)CO)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCBLXSPULVVEE-UHFFFAOYSA-N", "SMILES:O=C(NCCS(=O)(=O)O)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNUKGBMWCFQKQH-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCCC1)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRHLWMJXNYZWSX-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCOCC1)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRSVZPNXJUKBJW-WKCHPHFGSA-N", "SMILES:O=C(c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1)N1[C@@H]2CC[C@H]1C[C@H](O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKRDACZGICVELR-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1ccc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYLYEYDRWMZXIC-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1ncc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGJFGWDXOPABW-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cnc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYRIMJRFPJZNEV-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1ccc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKNJVXNOHBVJGZ-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cccc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTXONKYCTWPXEW-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cncc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBUPKUMWWPCFGH-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCZNMMNTWMSUIU-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cccc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUHBXIJSBYBKZ-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHDQYBMNMQMTF-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(-c4ccccc4F)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQDBEKAFCLMQJ-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(-c4cccc(F)c4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVHPSQMJIPJFR-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(-c4ccc(C(F)(F)F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXFGPRMBAWXWAV-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(-c4ccc(Cl)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIICXYZZAKNVPX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3cc(-c4csc(C(=O)NCC(F)(F)F)c4)cnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSDSRWLDFBBAF-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(-c4ccc(OCCN5CCOCC5)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJINQPXIAIYVNZ-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(-c4ccc(OCCN5CCNCC5)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDSOZHOCMKIED-UHFFFAOYSA-N", "SMILES:CN1CCN(CCOc2ccc(-c3cc4cc(-c5csc(C(=O)NCC(F)(F)F)c5)cnc4[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCWNUHPLJLDDW-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(C4=CCOCC4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXWUOTFKHVEFBX-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2cc3cc(-c4csc(C(=O)NCC(F)(F)F)c4)cnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYLZJZIGQKGNOK-UHFFFAOYSA-N", "SMILES:CN1CCC(c2cc3cc(-c4csc(C(=O)NCC(F)(F)F)c4)cnc3[nH]2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVUSZFPKPHMMJF-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(C4=CCNCC4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISMAZTGFKBNGFW-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(C4=CCNC4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCLGZQBRJREYGM-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(C4CCCNC4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEWNDCDAXDFYBH-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1cc(-c2cnc3[nH]c(C4=CCCNC4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXDMTPPFNPSCJ-UHFFFAOYSA-N", "SMILES:CC(C)C(NC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLAROMMNQNOOBR-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCNCC1)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAZGDWCRAYDDHM-UHFFFAOYSA-N", "SMILES:O=C(NCC(F)(F)F)c1ccnc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4857118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWIYBOJLSWJGKV-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(=S)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1359012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUXMYYDAQIJRQ-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(S)[nH]c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1509639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOFBRZWVWJCLGM-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(S)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVONOTFBACQFPO-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)c1ccc2[nH]c(S)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1726268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPXQSGWOGQPLQO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2[nH]c(S)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTTJBCKSGKYUMN-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(S)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4879224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQCDDZBBZNIFA-UHFFFAOYSA-N", "SMILES:Cc1cccc2[nH]c(=S)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILVDVSIGYIJHOG-DHDCSXOGSA-N", "SMILES:O=C1S/C(=C\\c2ccc(O)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDANYMVAQNBIIW-YBEGLDIGSA-N", "SMILES:COc1ccc(/C=C2\\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPUYITPYCUEFEU-MFOYZWKCSA-N", "SMILES:COc1ccc(/C=C2\\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFMCRDMZHILBGE-YBEGLDIGSA-N", "SMILES:COc1cccc(/C=C2\\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMMSRQZNLLCADR-YVLHZVERSA-N", "SMILES:COc1ccc(OC)c(/C=C2\\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFDMGOJWFQVHKR-ZDLGFXPLSA-N", "SMILES:COc1cc(OC)c(/C=C2\\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHAUVPZXUDOPQS-NVMNQCDNSA-N", "SMILES:COc1cc(OC)c(OC)cc1/C=C1\\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCGORISTAVVJD-YVLHZVERSA-N", "SMILES:COc1cc(/C=C2\\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUDQXAVKHAXSAU-DHDCSXOGSA-N", "SMILES:O=C1S/C(=C\\c2ccc(Br)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWKUSUWZOFGFFG-DHDCSXOGSA-N", "SMILES:O=C1S/C(=C\\c2ccc(Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CREPDGZBMQDMNH-CHHVJCJISA-N", "SMILES:O=C1S/C(=C\\c2ccc(Cl)cc2Cl)C(=O)N1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBFDENFCHAHTJN-ZSOIEALJSA-N", "SMILES:O=C1S/C(=C\\c2cccc(Cl)c2Cl)C(=O)N1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMYIYYDWJXATK-NVNXTCNLSA-N", "SMILES:O=C1S/C(=C\\c2c(Cl)cccc2Cl)C(=O)N1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHVGLDJPZAVROH-SXGWCWSVSA-N", "SMILES:COc1cc(/C=C2\\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIUYBKYLDTJCR-SXGWCWSVSA-N", "SMILES:COc1ccc(/C=C2\\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZFPAXXNGHMBF-YVLHZVERSA-N", "SMILES:CCOc1cc(/C=C2\\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFVVORVALMGZJV-BOPFTXTBSA-N", "SMILES:CN(C)c1ccc(/C=C2\\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBKQDFGJZRECHB-YVLHZVERSA-N", "SMILES:O=C1S/C(=C\\c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUAJBNHFHHKBD-STZFKDTASA-N", "SMILES:O=C1S/C(=C\\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZJYBMADQLZNRL-HOTGVXAUSA-N", "SMILES:COC[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OCC[C@H]2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJKFCWHBMFMHK-HOTGVXAUSA-N", "SMILES:COC[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OCC[C@H]2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNJNRVLJTOYNIN-ZFWWWQNUSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OCC[C@H]2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMLTTKUOMGTOC-ZFWWWQNUSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(Cl)cc3OCC[C@H]2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBGKDCMTALWYMG-HOTGVXAUSA-N", "SMILES:COC[C@@H](COCCC(=O)N1CCN2c3ncc(Cl)cc3OCC[C@H]2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UINWWPHJAVCNLC-ZFWWWQNUSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(Cl)cc3OCC[C@H]2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXEBPDOZLIXZKP-HOTGVXAUSA-N", "SMILES:COC[C@@H](COCCC(=O)N1CCN2c3ncc(Cl)cc3OCC[C@H]2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVWRWHSYZIFDS-HOTGVXAUSA-N", "SMILES:O=C(CCOC[C@@H]1CCN1c1cn[nH]c(=O)c1C(F)(F)F)N1CCN2c3ncc(Cl)cc3OCC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UINWWPHJAVCNLC-DZGCQCFKSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(Cl)cc3OCC[C@@H]2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVWRWHSYZIFDS-CVEARBPZSA-N", "SMILES:O=C(CCOC[C@@H]1CCN1c1cn[nH]c(=O)c1C(F)(F)F)N1CCN2c3ncc(Cl)cc3OCC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESGTHMMTPBCAG-SJORKVTESA-N", "SMILES:COC[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3COC[C@H]2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBPGOOUQLTDER-BBRMVZONSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3COC[C@@H]2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVBPGOOUQLTDER-XJKSGUPXSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3COC[C@H]2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIWSKSOUOHOUAY-LVWSLPETSA-N", "SMILES:CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CC/C=C(/OC(=O)C(C)c1ccc(C(=O)c2ccccc2)cc1)C(F)(F)F"]}
{"name": "Cytosolic phospholipase A2", "xref": ["CHEMBL.TARGET:CHEMBL2907"], "id": "UniProtKB:P47713", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLBRMBGWQXMIDG-UKOFQTNFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@](C)(NC(=O)OCc1ccccc1)C(F)(F)F)C(C)C)[C@@H](O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLBRMBGWQXMIDG-MSDDNRSRSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@](C)(NC(=O)OCc1ccccc1)C(F)(F)F)C(C)C)[C@@H](O)CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTYFDPORNSTQS-HIWISSPRSA-N", "SMILES:CC(C)CC(=O)N[C@@H](CCSC(F)(F)F)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTYFDPORNSTQS-FAPRTFLMSA-N", "SMILES:CC(C)CC(=O)N[C@H](CCSC(F)(F)F)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNSQZWGETKNPKG-PSJVSHSVSA-N", "SMILES:CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCSC(F)(F)F)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXGPCHRFPCXOO-KGCOJOICSA-N", "SMILES:CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5573999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCDZRAZXAUSDI-HTYMRSPFSA-N", "SMILES:CCN(c1cc(-c2ccc(CN3CCN(CCC(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXXUQNXLPSLSR-QVSURHGTSA-N", "SMILES:CC(=O)c1c(N)ncnc1N[C@@H]1C[C@H](CCc2ccc3cc(Br)c(N)nc3c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKGZTDISFHHJHP-DFXFOWLGSA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncnc5c4C(=O)CCN5)[C@H](O)[C@@H]3O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSULKYSQYXGAOP-YLAFHWEXSA-N", "SMILES:CC1CC(=O)c2c(ncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAWWLSSTGYLEPC-GSGKNRHYSA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncnc(N)c4C(=O)c4ccccc4)[C@H](O)[C@@H]3O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLOQIQDRJIKLIO-GCPVUHDESA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncnc(N)c4C(=O)c4ccsc4)[C@H](O)[C@@H]3O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZVWJPNHBJEOBW-AVYAGANSSA-N", "SMILES:Cn1ccc(C(=O)c2c(N)ncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULTOCOVWRCTJDQ-RLTFZFDCSA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4ccsc4)[C@H](O)[C@@H]3O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPGPLOCEKWHOJ-NCNURKBJSA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4cccs4)[C@H](O)[C@@H]3O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPLQDRDURUABFB-RLTFZFDCSA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4ccoc4)[C@H](O)[C@@H]3O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDKIFTFPWPSRBR-NFDXJKLISA-N", "SMILES:Cn1ccc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEERFMLNTDLRON-AZUKQJKYSA-N", "SMILES:Cc1ccc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPVIMKINADUSI-NCNURKBJSA-N", "SMILES:Cc1nc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBZYSAUKBRXDP-DHVMCQPUSA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4ccccc4[N+](=O)[O-])[C@H](O)[C@@H]3O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOMJIDBYRWUTBJ-MHBOXNGFSA-N", "SMILES:Cc1cccc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEHNMEVHIANGLI-LHVBDCGNSA-N", "SMILES:COc1cccc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVSAZDHTISKKJ-MHBOXNGFSA-N", "SMILES:Cc1ccc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRUGBKQJDMRUHF-LHVBDCGNSA-N", "SMILES:COc1ccc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZILVHQKHRVBZMX-LWUAEPSXSA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4ccc(C(F)(F)F)cc4)[C@H](O)[C@@H]3O)ccc2cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOIROCCLDWWUMW-MHBOXNGFSA-N", "SMILES:COC(=O)c1ccc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUFRMEWIDXZWSM-HCSVXLCASA-N", "SMILES:CCOc1ccc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOCRLUPTNDWSW-BIZMLDSFSA-N", "SMILES:CC(C)c1ccc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZLGBFBJXLCPCK-FHTGMDNRSA-N", "SMILES:CC(C)Oc1ccc(C(=O)c2cncnc2N[C@@H]2C[C@H](CCc3ccc4cc(Br)c(N)nc4c3)[C@@H](O)[C@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIOGKFIUFVDNDH-BTECGJQVSA-N", "SMILES:Nc1ccc2ccc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4ccsc4)[C@H](O)[C@@H]3O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAARODUFGMAZTQ-RLTFZFDCSA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4ccsc4)[C@H](O)[C@@H]3O)ccc2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXEPYGHXRUFAJL-UMWDTMKUSA-N", "SMILES:Cc1cc2ccc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4ccsc4)[C@H](O)[C@@H]3O)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBWUALHOQKSQLQ-KZIULOJKSA-N", "SMILES:Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4ccsc4)[C@H](O)[C@@H]3O)cc(F)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REPYDZXCSLBXAK-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)NC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MACKILMKWMEVGF-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)NC1(C(=O)Nc2cccc(C(F)(F)F)c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYSFORHXUQOLES-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTTAPSBMEHUJTJ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)NC1(C(=O)Nc2cccc(Br)c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYQXQOXHZWUOQB-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)NC1(C(=O)Nc2ccc(Cl)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZJQVDVQZXBWKV-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)NC1(C(=O)Nc2cccc(Cl)c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRGHOKWIQHZAGN-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)NC1(C(=O)Nc2ccc(F)cc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQBWKBBRFXVJAC-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)NC1(C(=O)Nc2cccc(F)c2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPRFAKPWWXOVCH-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)NC1(C(=O)Nc2ccccc2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZWSCKUSLWRGX-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)N2CCN(Cc3ccccc3N3CCCC3)CC2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRPQEZVIEUHJNR-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccccc2CN2CCN(C(=O)C3(NC(=O)Oc4ccccc4)CCCCC3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMWRFRPSOKMRBR-UHFFFAOYSA-N", "SMILES:CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C2(NC(=O)Oc3ccccc3)CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRQCSUIZZMJDX-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)C3(NC(=O)Oc4ccccc4)CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNTHAWAWWJUWIE-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)NCCc2c[nH]c3ccccc23)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQALJGXBJDZGNK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)C2(NC(=O)Oc3ccccc3)CCCCC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKLHZIQRSGHFBG-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSRGXJLBJIGHA-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2(NC(=O)Oc3ccccc3)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSJIWXSORQCMQF-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCLZDQUZSFVDGO-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)Nc2cccc(C(F)(F)F)c2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWDWABYXIOMWCC-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKLSUVQOLLDBPP-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)Nc2cccc(Br)c2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWPJUPCOMWMTBP-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)Nc2ccc(Cl)cc2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUPDUYZTCXMGML-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccccc1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZVYHORTFXHHNC-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)Nc2cccc(Cl)c2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEOATYYZSVPKDL-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)Nc2cccc(F)c2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRRCLPRPNIMFKT-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc(-c2ccccc2)cc1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSWMDCKRCYJPSU-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)Oc3ccc(-c4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUHQOLLTRXGOBT-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKDYSTMMVAUGBG-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)Oc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBEJWTNKTKWWCQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)C2(NC(=O)NCCc3c[nH]c4ccccc34)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWLYNZCSPPPLW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2(NC(=O)NCCc3c[nH]c4ccccc34)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFAAWTYDUNFPAV-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(NC(=O)C2(NC(=O)NCCc3c[nH]c4ccccc34)CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWQDWOZXZYEIC-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4ccccc4)CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUURPCWPGZDBJQ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4cccc(F)c4)CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPBUSIRIEAHNRR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4ccc(F)cc4)CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFACAEWPTRJVTF-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4cccc(Cl)c4)CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWLBLHKLZUHGV-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4ccc(Cl)cc4)CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFFVTHHFQYSPT-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4cccc(C(F)(F)F)c4)CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIAFOMXBZZHRSI-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4ccc(C(F)(F)F)cc4)CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3326390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQJVRXDPOYTNZ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL582459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCUBQKKDYAQEMD-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)Oc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKENSVOZSPDNJS-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)Oc3ccc([N+](=O)[O-])cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKAHYQDHCPIVOJ-UHFFFAOYSA-N", "SMILES:O=C(NCCc1c[nH]c2ccccc12)Oc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWWMOCJRSKSPPY-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)Nc2ccccc2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROBQBFFNCGTMLM-UHFFFAOYSA-N", "SMILES:O=C(NC1(C(=O)Nc2ccc(F)cc2)CCCCC1)Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNJTNZPQFEVIC-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)C2(NC(=O)Oc3ccccc3)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMSDWECWNGPMNW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2(NC(=O)Oc3ccccc3)CCCCC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRYHYLHHPQYNNA-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4cccc(Br)c4)CCCCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDSIVSTWQPHZJW-KKFDQILXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSMNIFMLEWJRJS-OJFNHCPVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(Cl)(Cl)Cl)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGVNIEAIBBZBMO-KBCNZALWSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGMDNNAIECHXNR-KBCNZALWSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(Cl)(Cl)Cl)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CINWAXSBFXIFBO-KOUJMVCDSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQKHTZIQDYQKN-OJFNHCPVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N(C(=O)C(F)(F)F)[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFVBEIIGWIULK-RCTKEMKKSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJONLPGJCYXVAO-HPMPOATDSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSICWLPFZIMPSR-KKFDQILXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)OCc1cccnc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YILVZESGQQZUEA-KKFDQILXSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)OCc1ccncc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGCHPHSIWLRUBL-KOUJMVCDSA-N", "SMILES:CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPIBKCCONSJUSM-RCTKEMKKSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)OCc1cccnc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTIUPCPWAYEGE-RCTKEMKKSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)OCc1ccncc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INAVYUWHDZMESX-VJDHNPKBSA-N", "SMILES:CN1[C@@H]2C[C@@H](OC(=O)[C@@](F)(CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4528432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJTXWNCGKNQIFN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMPJAIHDXYRPIW-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPHFOMPBPMGQLS-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSXAVRLDAAZIMX-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2F)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIHYENKQFZTMEZ-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2C(F)(F)F)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTDZCMUWAXUASI-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2OC(F)F)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKNWPFPBYXTHS-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1noc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKGITWFTZUJPBG-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2OC(C)C)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTQCYWPGJJBEGD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2noc(C)c2C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLQEOXOSQXYRL-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGANCXKYUKFTD-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1noc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDGKQAZDOYLSQC-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFHBPZBJHWSCOH-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2[N+](=O)[O-])c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNEUVEDRZGBGSQ-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2OC(F)(F)F)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUTWNTKHXIUHNU-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1noc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVENYYCCHATHOD-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1noc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJIVESLQEFCPAF-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAFSHUAFESWWAO-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(F)cccc2F)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGPGJDXAUQWITD-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUEUUJFNNSILRG-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWRVEBKYFQHVPQ-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOWOFQYCTGCLJO-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUCUCXYWWOKADW-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APVJMXHIDFFILQ-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLGDKRYRAMIWDV-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C(F)(F)F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSIGZAKMULCJH-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTCMUBMRFMOJKI-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWKDQMUWVCAUKW-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(F)cc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKUFTBJZXPUYMQ-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPASUXZOCHTZLH-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1902403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYGUFHTZJFRDC-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCJIUBJTHWMGSU-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUXFMOFBKGRMO-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMAWHJKJVWIENG-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZRTHVBFIMHSV-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGEIFQVXZBWVQF-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBLAOPWHLYHIOB-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNVHSOBEIZTAE-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMDDHRWEYOYVLM-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(F)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUCIYXVNJADDKE-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1526241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYSCQIJGIRKDH-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDEASPYOGAGVEP-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLJQBRVGBSUBEX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)c1cnoc1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HECTYYJRACKODY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)c1ncoc1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SICJIJWYFWLQED-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZXTJGQOHMKDL-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccccc2Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFANYTSYRURAMW-UHFFFAOYSA-N", "SMILES:Nc1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)c(-c2ccccc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCZPYSZOKRUNB-UHFFFAOYSA-N", "SMILES:Cc1noc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMBOCZDDWIBGDR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBPWGPAYFVZGSK-UHFFFAOYSA-N", "SMILES:Cn1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)c1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHORLNWLFMXCBJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)c1cncnc1-c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAHKPOCQJPHDDH-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRDZQDFDXVIXAA-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFRAXRNBINGWKC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Nc1nc(N)c(C(=O)Nc2c(C)cccc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUFFVKMTTGTPQK-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(F)cc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOJLZQXVRHQYJA-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(OC(F)(F)F)cc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXGNEPTUXFWLTQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(Cl)cc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFSDAJYHYKRMQU-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2cccc(Cl)c2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWDIVFCZDQQTBK-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2cccc(OC(F)(F)F)c2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCYQFCAPEGQXKM-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccccc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGGBAENMKYNWIA-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQGWROAVXMASY-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXCNGRJBXGWKT-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKMTEJNYOXFMK-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGUNVBYQGKIOBV-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGTIXIQULDZBIG-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(Cl)c(F)c2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEDXBZRMQHADMM-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(F)c(F)c2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRTVOEFLJRUZKR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNTVTLJAKQQEQZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HODXVZVJITWSBX-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHUKAUAFXFNOJZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFWUVBSOAYSYIE-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFERQFLYNSDKNJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(F)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBMEWBZTJZWSR-UHFFFAOYSA-N", "SMILES:COc1cccc(C)c1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYRXCZUSHIEQHP-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKKRWMVMWIPWND-UHFFFAOYSA-N", "SMILES:Cc1nc(Cl)cc(Nc2nc(N)c(C(=O)Nc3c(C)cccc3Cl)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWCIGQBWIWKONF-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(SCc2ccccc2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCRGEYOFTAIHGL-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMXBRFIGRVGQZ-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(F)c(Cl)c2)sc1C(=O)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWWXNQAIAWCCBR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(Nc3ccc(F)c(Cl)c3)nc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWDOFKXRIQBMLZ-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGAGYTFEOLJSNY-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTCRIIBTLYFTBW-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(NC(=O)c2sc(Nc3ccc(F)c(Cl)c3)nc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PALDWYNGNYWPSK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(Nc3ccc(F)c(Cl)c3)nc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQPWZDRTCUCVPC-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ccc(F)c(Cl)c2)sc1C(=O)Nc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZABIEDCSONCBOX-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2sc(Nc3ccc(F)c(Cl)c3)nc2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNBQKPDBESLEBT-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIGTRNCSRCOKB-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ccc(F)c(Cl)c2)sc1C(=O)Nc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJOTYVDTCACOBI-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ccc(F)c(Cl)c2)sc1C(=O)Nc1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYQKJYOUUNRGB-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2ccc(F)c(Cl)c2)sc1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWVQSLYZJNDJPD-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGSRQASNPKPNQD-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1sc(Nc2ccc(S(=O)(=O)c3ccccc3)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCURXWCJCCDQFR-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=O)c1sc(Nc2ccc(S(=O)(=O)c3cccc(Cl)c3)cc2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCIAQIVILQCODV-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1cc(Nc2ccc(F)c(Cl)c2)ccc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQLXMNUXMNTHK-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1NC(=O)c1cc(Nc2ccc(F)c(Cl)c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWDFFSNVVNEJMS-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLAULDTUGCQNF-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQZCTQLSBJBYEA-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)c4cc(C)on4)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLPBRLJSPDUXCQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGVHUUTVPLIEGT-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(-n4ccnc4C)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRFQQHIFOHIJAI-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(-n4cncc4C)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEPOUPGULEOHL-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(NC4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRKKBISFEFMBPH-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(OC4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAEDITYQCPBMOC-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(NC(=O)c4cc(C)on4)c3)cc(C(F)(F)F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONFBKOIBHHZVEA-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(N4CCC(O)CC4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMXDBACWHXBLGJ-UHFFFAOYSA-N", "SMILES:CCNC1CCN(c2cc(C(=O)Nc3ccc(C)c(NC(=O)c4cc(C)on4)c3)cc(C(F)(F)F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQXZIRTRRGKEN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(NC4CCN(C)C4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVKRLGMPRUNNTM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(N4CCC(N(C)C)C4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKGYZAGGPDPNAS-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(C(F)(F)F)n(-c4ccccc4)n3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSSXKOWYYRDCV-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(C(=O)Nc3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCGWIMNLCHMKHP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(C(=O)Nc3cc(OC4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOBHAIHVEQCOSC-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(C(=O)Nc3cc(N4CCOCC4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLTVMVFFZVYMGB-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(C(=O)Nc3cc(-n4ccnc4C)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBTHXQTVTXRLMX-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(C(=O)Nc3cc(NC4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3616960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGUIRKPWAXDLW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOJKTLDBYTSLN-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(N3CCOCC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNPSSJGLKNUEA-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#CC(C)(C)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKGHKZZOOVVLJS-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#CC3(O)COC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSSPKELAKXKXMI-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#CC3(O)CCCCC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPKGPBSXBCKRID-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#CC(C)(O)c3ccccc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCULNSOZJNHUFZ-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cnc2ccc(-c3[nH]cnc3-c3ccc(F)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFIIPQKSMQHIZ-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#CC(C)(C)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOSBYHTUTHKBCD-UHFFFAOYSA-N", "SMILES:CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#CC(C)(C)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMKYXZXNFIRFNY-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGDLZJXPYBCDTL-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccc(Cl)cc2)c1-c1ccc2ncc(C#CC(C)(C)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPLFCFMZMMGMMZ-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccccc2)c1-c1ccc2ncc(C#CC(C)(C)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLDPRNGNVPZLP-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(-c3ccc(C(N)=O)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJDHHRXJXLBKS-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSUHHVDXXHBJFS-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCO)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXSVBUZWFYVJL-UHFFFAOYSA-N", "SMILES:CC1CN(c2cnc3ccc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)cc3c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXSVBUZWFYVJL-GOSISDBHSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(N3CCO[C@H](C)C3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXSVBUZWFYVJL-SFHVURJKSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(N3CCO[C@@H](C)C3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGTYUTWENHIMQB-UHFFFAOYSA-N", "SMILES:CC1COCCN1c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C(C)C)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYZVLVKMTFWEOM-UHFFFAOYSA-N", "SMILES:CCC1CN(c2cnc3ccc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)cc3c2)CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATOGYNWAQBQEDV-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(N3CCOC(C)(C)C3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWOQAYFTVOZADZ-KDURUIRLSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(N3C[C@@H](C)O[C@@H](C)C3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHAMMUKEUYZXGJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(N3CC4CC3CO4)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJOHIHYQHKPHCJ-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C3=CCOCC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIOVSOYRKYJKRF-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(-c3ccc(C(=O)O)cc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSCTKQCHLIROC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3ccc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)cc3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVNNQIDPLLJNL-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2cnc3ccc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEZDGQFCZPORTA-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(-c3ccc(F)nc3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXDHEUMISNAQQG-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(N3CCc4ccccc4C3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAJYVCPCEOXEDV-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(-c3cccc4[nH]ccc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTJYAAGGAILQLU-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3(C)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXXWAYUDUUPFOD-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIOJQVJWWWEIQP-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVRFSEZCLGEDQY-UHFFFAOYSA-N", "SMILES:CC(C)(O)C#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCOCC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSYHSTDHEPHAEJ-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccc(Br)cc2)c1-c1ccc2ncc(C#CC(C)(C)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECVXWATJHXFEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncn(C)c2-c2ccc3ncc(C#CC(C)(C)O)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPNKHUTVEJGWOP-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccccc2Br)c1-c1ccc2ncc(C#CC(C)(C)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2312148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKDVQSBZXOTCNO-UHFFFAOYSA-N", "SMILES:COc1ccc(C#N)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQWIJUSMXXQBP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3ccccc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYIYWFDKPUTEAJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBEWPBLIZHMRDF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3ccc(F)cc3F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNFANQLLCHUALY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3cc(F)cc(F)c3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWQBGAVRQPAXSH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2cc(-c3ccc(Cl)cc3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPZRRRYZBJJMPJ-UHFFFAOYSA-N", "SMILES:O=C1Cc2ccc(C(=O)N3CCN(c4ccc(-c5cc(F)cc(Cl)c5)cn4)CC3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVNVHZHUMWSFIR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(C(F)(F)F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVOSSOBQPNHNBP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFYRDLSKIFAEFT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWWROMOZNXRXTR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3cccc(C(F)(F)F)c3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTDKFVSTPGVFK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHXAEHINZRSNN-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQBDIUYYMTXJNO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3cccc(Cl)c3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEYSVWAKHBLECS-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZXYDIYQJUPIM-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3ccc(Cl)cc3F)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHQOFZYTIURUND-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUNLFHKESHRSB-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3ccc(F)c(Cl)c3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIWAOPKBIQLSC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2ccc(-c3cc(F)cc(Cl)c3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSRGGWJORQATHV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2cc(-c3cc(F)cc(Cl)c3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUQWYRUAJNJERF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2cc(-c3ccc(O)cc3)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKNJHNHCABPZLE-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(c2cc(-c3ccc(Cl)cc3F)ccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTRJVQXKMUZOAY-UHFFFAOYSA-N", "SMILES:O=C1Cc2ccc(C(=O)N3CCN(c4ccc(-c5ccc(Cl)cc5)cn4)CC3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSACZHWTRARSW-UHFFFAOYSA-N", "SMILES:O=C1Cc2ccc(C(=O)N3CCN(c4ccc(-c5ccc(F)c(Cl)c5)cn4)CC3)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFCZYFIRBWHUFN-HGBFKIRTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4076748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWXLECMNBTVASW-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQCWHSDMJBAGDC-UHFFFAOYSA-N", "SMILES:CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRVUGPWBAQVJT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCN(C(=O)CN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXNPHJKPDROTTJ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCC(CCN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORRDWRSNUOCBV-XCIZWWPASA-N", "SMILES:CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2[C@H]2CC[C@H](CN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NORRDWRSNUOCBV-SHXPYSBDSA-N", "SMILES:CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2[C@H]2CC[C@@H](CN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHZJBMRRFXYWAC-MEFIJNBOSA-N", "SMILES:CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C[C@H]2CC[C@H](CN3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYSBJQXVHZZLDQ-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2CC2CCC(N3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMMPMEMOIBXWRN-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCC(N3Cc4cc5c(cc4C3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBVPHFFZQUTBB-RIKPAVIRSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVJJJQKBRUTERR-UCBUJTIVSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBVPHFFZQUTBB-XJOAVGBHSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHUSDDOUZHFBGW-HMRHIFLMSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEOCRRNIABZBJ-WTTOMSIPSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQSQCZJAEMGVDQ-RKSOESESSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAFXQABYZIUHHV-RIKPAVIRSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCEZZUBHIBNAMP-SCYSVOPUSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBIETPVQZOMML-SUMGDUILSA-N", "SMILES:CCOc1ccc(C[C@H](NC(=O)[C@@H](Cc2ccc(OCC)cc2)NC(=O)CC)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGPPAYUFSGTGRP-SCYSVOPUSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2cccc(C)c2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWSFQSSYKAVKIE-SCYSVOPUSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCOAMZLZNNIEQC-USPPITPNSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccc(C(C)(C)C)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMRXGTQBOUTNHW-RIKPAVIRSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccccc2F)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTYWCRKLACAMCH-LNXWOFIHSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKDXJYHVIFGZBI-BCJOCGGPSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)Cc2ccc(C)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOKAIQCPCABVOW-HLVHOYBOSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJWLKJTMFVFCO-WMGXGADPSA-N", "SMILES:CCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYAWYHXBXKXLAP-ALFUPCMDSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHJAZWMZSZXFM-XJKSQIOZSA-N", "SMILES:CCOc1ccc(C[C@@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJGMCDHQPXTGAV-IYARVYRRSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)N[C@H]1CC[C@H](NC(=O)COc2ccc(Cl)cc2)CC1"]}
{"name": "Cyclic AMP-dependent transcription factor ATF-4", "xref": ["CHEMBL.TARGET:CHEMBL6067624"], "id": "UniProtKB:P18848", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZFYVDSLZDHEAB-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAWFICHNAZTUPD-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC12CCC(NC(=O)COc3ccc(Cl)cc3)(CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJHWCQRSPWQDAW-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC12CCC(NC(=O)COc3ccc(Cl)cc3)(CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCGILYFJVFIWMP-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC12CC(NC(=O)COc3ccc(Cl)cc3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXJMHGTFFEBTH-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC12CC(NC(=O)COC3CC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLIKKBSCXDDPOI-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC12CC(NC(=O)COC3CCC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQWPASUHDLIRW-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC12CC(NC(=O)COC3CCCC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGUDEOXKLCEJNG-UHFFFAOYSA-N", "SMILES:O=C(COCC1CC1)NC12CC(NC(=O)COc3ccc(Cl)cc3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTOAHKDJHMQPD-UHFFFAOYSA-N", "SMILES:O=C(COCC1CCC1)NC12CC(NC(=O)COc3ccc(Cl)cc3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFJSGACCLTBDR-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC12CC(NC(=O)COC3CCOC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJKPRYQWVWUNRD-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)COC3CCC3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYIOEYJNGFASL-FFLQSDOBSA-N", "SMILES:OC(COC1CCC(Cl)C(F)C1)NC12CC(NC(O)CO[C@H]3C[C@@H](C(F)(F)F)C3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMTYPKKNKBZHPS-OWRWNIJESA-N", "SMILES:O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)CO[C@H]3C[C@H](C(F)(F)F)C3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKGJJFMRVPEONJ-UHFFFAOYSA-N", "SMILES:N#CC1CC(OCC(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJFMEDAWEWRCDR-UHFFFAOYSA-N", "SMILES:CC1(C#N)CC(OCC(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMYLSCHQLJNYRJ-BAENODPISA-N", "SMILES:O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)CO[C@H]3C[C@@H](n4nccn4)C3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIMUEOQDBCWEG-NFAYLAGKSA-N", "SMILES:O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)CO[C@H]3C[C@@H](OC(F)(F)F)C3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLLFJYZDQPTGTP-IHLXJITASA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC12CC(c3nnn([C@H]4C[C@@H](OC(F)(F)F)C4)n3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKLXVUGSRKFTQK-WCJFWOOYSA-N", "SMILES:O=C(COc1ccc(Cl)c(F)c1)NC12CC(c3cnn([C@H]4C[C@@H](OC(F)(F)F)C4)n3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHBZPBMOCNWRBW-WCJFWOOYSA-N", "SMILES:O=C(COc1ccc(Cl)c(F)c1)NC12CC(c3cn([C@H]4C[C@@H](OC(F)(F)F)C4)nn3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOBVOKDZYYVQOA-UCHVWPQTSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC12CC(c3cnn([C@H]4C[C@@H](OC(F)(F)F)C4)c3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTCBLVONBGRRX-UNQISJMQSA-N", "SMILES:O=C(COc1ccc(Cl)c(F)c1)NC12CC(n3cnc([C@H]4C[C@@H](OC(F)(F)F)C4)c3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKIZTRPTOKLDT-KELJYIFJSA-N", "SMILES:O=C(COc1ccc(Cl)c(F)c1)NC12CC(N3C[C@H]([C@H]4C[C@@H](OC(F)(F)F)C4)OC3=O)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGURKOOZAILBDB-BCSAWQMYSA-N", "SMILES:O=C(COc1ccc(Cl)c(F)c1)NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569312", "category": ["biolink:ChemicalEntity"], "name": "EVETIFATOR", "xref": ["InChIKey:IKPNRMYDOSNVAU-QEJBIBHGSA-N", "SMILES:O=C(COc1ccc(Cl)cc1)NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2"], "synonym": ["Evetifator", "Evetifator", "Evetifator", "DNL-343"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTISZAQWLDKRFC-QEJBIBHGSA-N", "SMILES:O=C(COc1ccc(C(F)(F)F)cc1)NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYOHYIZXTGWKEF-QEJBIBHGSA-N", "SMILES:O=C(COc1ccc(F)cc1)NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYYGEYNIXHCIV-CLTQZESZSA-N", "SMILES:O=C(COc1ccc(C2CC2)cc1)NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QESAOBFXEMEZOR-BTFYXPLHSA-N", "SMILES:O=C(COc1ccc(C(F)(F)F)nc1)NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVSWDVNGQVVHT-UJKONTMWSA-N", "SMILES:O=C(NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2)C1Cc2cc(Cl)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSINKMQMOYVQV-XVJRPBOASA-N", "SMILES:O=C(NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2)C1CCc2cc(Cl)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQWDDZILPPVGAL-GOHXACNUSA-N", "SMILES:O=C(NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2)c1nc2cc(Cl)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMAWGDKHLLAJAR-VQXUIWRGSA-N", "SMILES:O=C(NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2)c1ccc2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTGCGGXREHUWRH-APIAWQDPSA-N", "SMILES:O=C(NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2)c1cc2ccc(Cl)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORAMYWKGHZXVDV-APIAWQDPSA-N", "SMILES:O=C(NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2)c1cnc2cc(Cl)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNICYSSZXSOPER-DOMGUGOESA-N", "SMILES:O=C(NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2)c1cnc2cc(Cl)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLGCRAVDQQDKQ-VQXUIWRGSA-N", "SMILES:O=C(NC12CC(c3nnc([C@H]4C[C@@H](OC(F)(F)F)C4)o3)(C1)C2)c1ccc2cc(C(F)(F)F)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHWZTQWANBMTMV-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Br)cc1)Nc1ccc(-n2cnnn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZJPMKIHGCMUKO-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(Cl)c(F)c1)NC12CC(n3cnnn3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFWRPVMKPXFYSH-SNJKXUIESA-L", "SMILES:CCCCCCCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCCCCCCCCCC)O[C@H](COC(=O)C(C)(CO)CO)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)CCCCCCCCCCC.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLAUNNLIHIBGLC-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCCN(C(=O)CN2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIIBQNHIGLJIAM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1CCOC(c2ccccc2OC)c2cc(Cl)ccc2N(CC(C)(C)C)C(=O)CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVUXNRMPGICIBQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(C(=O)CN2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYTPVIXASNGNST-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)N1CCC(N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDYGLLNHDFXHPV-UHFFFAOYSA-N", "SMILES:CCOC(=O)C(=O)N1CCCC(N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZDITVYYOXIHO-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1OCCN(C2CCCN(C(=O)C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCIKEBGJHYZHX-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCC(N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDNREUHLLJFOIG-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1OCCN(C2CCC(C(=O)O)CC2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCIKEBGJHYZHX-WPDBWTOCSA-N", "SMILES:CCOC(=O)[C@H]1CC[C@@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDNREUHLLJFOIG-IYTIVLBGSA-N", "SMILES:COc1ccccc1C1OCCN([C@H]2CC[C@@H](C(=O)O)CC2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCIKEBGJHYZHX-IDAZLTFKSA-N", "SMILES:CCOC(=O)[C@H]1CC[C@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDNREUHLLJFOIG-USNKPLLHSA-N", "SMILES:COc1ccccc1C1OCCN([C@H]2CC[C@H](C(=O)O)CC2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXCZMMESQVZNW-YMAKIQEKSA-N", "SMILES:CCOC(=O)[C@H]1CCC[C@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXCZMMESQVZNW-OVJGLUBHSA-N", "SMILES:CCOC(=O)[C@@H]1CCC[C@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXCZMMESQVZNW-RSVWQDTMSA-N", "SMILES:CCOC(=O)[C@H]1CCC[C@@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJHFRTFWDPUFCC-BXILFSKMSA-N", "SMILES:COc1ccccc1C1OCCN([C@@H]2CCC[C@H](C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIXCZMMESQVZNW-WYRRKIMPSA-N", "SMILES:CCOC(=O)[C@@H]1CCC[C@@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJHFRTFWDPUFCC-NCOJJIHTSA-N", "SMILES:COc1ccccc1C1OCCN([C@@H]2CCC[C@@H](C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMJIKBKAJCTPU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1CCN(C(=O)N2CCCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFPGGQQLXBVEY-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1OCCCN(C(=O)N2CCC(C(=O)O)CC2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FILWIHVNPXQTAK-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1OCCCN(C(=O)N2CCCC(C(=O)O)C2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUTSEGFWMLIGIM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CC1CCN(C(=O)N2CCCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTOPZNQSVXGNW-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1OCCCN(C(=O)N2CCC(CC(=O)O)CC2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTOPZNQSVXGNW-SSEXGKCCSA-N", "SMILES:COc1ccccc1[C@H]1OCCCN(C(=O)N2CCC(CC(=O)O)CC2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXTOPZNQSVXGNW-PMERELPUSA-N", "SMILES:COc1ccccc1[C@@H]1OCCCN(C(=O)N2CCC(CC(=O)O)CC2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZVZHUGURPCTIL-UZTOHYMASA-N", "SMILES:COc1ccccc1[C@@H](O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVQKAFKHYZBODL-RUCTVCJSSA-N", "SMILES:CN1CCC[C@@H]1/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPEVJAKUNSLTDG-SOFGYWHQSA-N", "SMILES:Cc1c(NC(=O)/C=C/CN(C)C)ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DILPWWRXPRYDEA-XYOKQWHBSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSULBLCONKOIY-YRNVUSSQSA-N", "SMILES:COc1cccc(-c2c(NC(=O)/C=C/CN(C)C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZKSNYDZEBHGRR-VQHVLOKHSA-N", "SMILES:COc1ccc(-c2c(NC(=O)/C=C/CN(C)C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRLFCKNBDNTEBA-YRNVUSSQSA-N", "SMILES:Cc1cccc(-c2c(NC(=O)/C=C/CN(C)C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFAWJVBCLVAICC-HHTJIARGSA-N", "SMILES:CN1CCC[C@@H]1/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPOWWGOZASADR-BZQTUJPJSA-N", "SMILES:COc1cccc(-c2c(NC(=O)/C=C/[C@H]3CCCN3C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAYNMSGELVYJGD-WVKUQPHVSA-N", "SMILES:COc1ccc(-c2c(NC(=O)/C=C/[C@H]3CCCN3C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHMPUXRYZHNWOO-SCUOOLIXSA-N", "SMILES:Cc1cccc(-c2c(NC(=O)/C=C/[C@H]3CCCN3C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFQMYECKUFYUSH-KPKJPENVSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBNQRDJFYLHMJK-IZZDOVSWSA-N", "SMILES:COc1cccc(-c2c(NC(=O)/C=C/CN(C)C)ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHOCEPUEALWID-RMKNXTFCSA-N", "SMILES:COc1ccc(-c2c(NC(=O)/C=C/CN(C)C)ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXWQISPUKBAERI-IZZDOVSWSA-N", "SMILES:Cc1cccc(-c2c(NC(=O)/C=C/CN(C)C)ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDCIBAUKILEGO-XCAQINLVSA-N", "SMILES:CN1CCC[C@@H]1/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJPASCBASAXJFI-SCUOOLIXSA-N", "SMILES:COc1cccc(-c2c(NC(=O)/C=C/[C@H]3CCCN3C)ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRMXEMIURULMY-GUWJCNJBSA-N", "SMILES:COc1ccc(-c2c(NC(=O)/C=C/[C@H]3CCCN3C)ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTVITNOTDILGDD-NPJYZCEWSA-N", "SMILES:Cc1cccc(-c2c(NC(=O)/C=C/[C@H]3CCCN3C)ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUQNNMZVFABECU-QPJJXVBHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1CCN3c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZSUEXQZOQCLO-ONEGZZNKSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1CCN3c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIHHASRXEFINIJ-FNORWQNLSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBZNHFHVVZMUSP-QPJJXVBHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2cccc(F)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMZRZFFJJZHENK-QPJJXVBHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1C=CN3c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQMJDSTZLVUDP-ONEGZZNKSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1C=CN3c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVZNVMICNOVJM-FNORWQNLSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1C=CN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFKLRZPAONERNA-QPJJXVBHSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1C=CN3c1ccc(OCc2cccc(F)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTVAUPIBHVDGDF-FNORWQNLSA-N", "SMILES:O=C(/C=C/CN1CCCC1)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNBZJTFEESJZBO-SOFGYWHQSA-N", "SMILES:O=C(/C=C/CN1CCCCC1)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOJUVGISNLNHX-FNORWQNLSA-N", "SMILES:CC(C)NC/C=C/C(=O)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPWMTUOJRIZIV-HWKANZROSA-N", "SMILES:O=C(/C=C/CNC1CC1)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFRDHRNFVIREW-NBILRRPASA-N", "SMILES:CN1CCC[C@@H]1/C=C/C(=O)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBABPPOPBBETK-FNORWQNLSA-N", "SMILES:CC(C)NC/C=C/C(=O)Nc1ccc2ncnc3c2c1C=CN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKITJOCVOEXLY-HWKANZROSA-N", "SMILES:O=C(/C=C/CNC1CC1)Nc1ccc2ncnc3c2c1C=CN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGOLZSGPACQCPU-XBXARRHUSA-N", "SMILES:O=C(/C=C/CNC1CCC1)Nc1ccc2ncnc3c2c1C=CN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWZFXIKIYVTOEE-FNORWQNLSA-N", "SMILES:O=C(/C=C/CN1CCCC1)Nc1ccc2ncnc3c2c1C=CN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZITZYNQSTDWKGI-SOFGYWHQSA-N", "SMILES:O=C(/C=C/CN1CCCCC1)Nc1ccc2ncnc3c2c1C=CN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRLVGRDCBMEMM-NBILRRPASA-N", "SMILES:CN1CCC[C@@H]1/C=C/C(=O)Nc1ccc2ncnc3c2c1C=CN3c1ccc(OCc2ccccn2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2220079", "category": ["biolink:ChemicalEntity"], "name": "ACT-001", "xref": ["InChIKey:ZPBIJIIQXPRJSS-WNZSCWOMSA-N", "SMILES:CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](CN(C)C)[C@@H]2CC1"], "synonym": ["Act-001", "ACT001"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZKFXCLLQZGSMT-ZTNHXCFJSA-N", "SMILES:C[C@@]1(O)CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)[C@H]2CS(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWNFKWDSMXFLK-NCWRXGJMSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC[C@@](C)(O)[C@H]23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5574976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTWIXNVMRVUZIO-UHFFFAOYSA-N", "SMILES:COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)n[nH]c3c2F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHWVPRLEYXURW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHQGTQHJHLIIIB-UHFFFAOYSA-N", "SMILES:COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3cn[nH]c3c2F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYCULLQSLZYGMF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2c(F)c(-c3c(F)ccc(N(C)S(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFAMLHBYZIKXHN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4ccccc4)c3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVXMCRWYDRLMDG-UHFFFAOYSA-N", "SMILES:COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIEJESRUBXTDPG-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUHQQBJHCZJTFD-NSHDSACASA-N", "SMILES:CNC(=O)c1ncn2c1CC[C@H](c1c(F)ccc(NS(=O)(=O)c3cc(Cl)cnc3OC)c1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXYAZOQOMRXDG-NSHDSACASA-N", "SMILES:CNC(=O)c1ncn2c1CC[C@H](c1c(F)ccc(NS(=O)(=O)c3cc(F)cnc3OC)c1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXGFRXUUUIMTGO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGXQRBUVDDSPP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMIJBHEBVXGEO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ncn2nc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLYMMZQCUWWRO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(F)cnc4OC)c3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZDFGGGCYBDMFZ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(F)cnc4C)c3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLJTNRXSFBMNK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(C#N)cnc4OC)c3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYRAGIUNEKRKPA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ncn2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDJVEWLHACOWKI-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVFJAJKQXULALN-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(O)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWLBSYAZZLERH-UHFFFAOYSA-N", "SMILES:CNc1nc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABUMYJOVRKFPTN-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWNXSGIKEVJDCE-UHFFFAOYSA-N", "SMILES:COc1cc2c(N(C)C3CCCCC3)nc(N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSYWTHDIYHKYNV-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCCC3)nc(N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZLXOLNLZXXNFA-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCCCC3)nc(N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVBQMCJQNFJMRX-UHFFFAOYSA-N", "SMILES:COc1cc2c(C3=CCCCC3)nc(N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBKCQHDUOARFT-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(NCCN(C)C)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHEFNBAYIGSOIR-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(NCCN(C)C)nc2cc1OCCCN1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASIIUNMMVDKFSK-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)cc(NCCN(C)C)nc2cc1OCCCN1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUZVEIRRWBZVHW-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)cc(NCCN3CCCC3)nc2cc1OCCCN1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFGFXGREZBBOA-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)cc(NCCN3CCCCC3)nc2cc1OCCCN1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXTYLCAJFZCBD-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)cc(NCCN3CCOCC3)nc2cc1OCCCN1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLALYXWPIBJVAQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)cc(NCC3CCCN3C)nc2cc1OCCCN1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWAGELEKOTHHW-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)cc(NCCCN(C)C)nc2cc1OCCCN1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRRWLVKNLMRSA-UHFFFAOYSA-N", "SMILES:COc1cc2c(N3CCCC3)nc(NCCN(C)C)nc2cc1OCCCN1Cc2ccccc2C1"]}
{"name": "Spindlin-2B", "xref": ["CHEMBL.TARGET:CHEMBL4523440"], "id": "UniProtKB:Q9BPZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Spindlin-3", "xref": ["CHEMBL.TARGET:CHEMBL4523325"], "id": "UniProtKB:Q5JUX0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Spindlin-4", "xref": ["CHEMBL.TARGET:CHEMBL4523321"], "id": "UniProtKB:Q56A73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPBNFTTUAKVEKN-ODCIPOBUSA-N", "SMILES:C/C(=N\\N=c1/[nH]c2cc(F)c(F)cc2n1C)c1ccc(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACMILMSJGPVPZ-DNTJNYDQSA-N", "SMILES:C/C(=N\\N=c1/[nH]c2cc(F)c(F)cc2n1C)c1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEJMLQQWZAFEPE-UHFFFAOYSA-N", "SMILES:COc1nn2cc(-c3cc4ccc5c(c4o3)OCCO5)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFSJRLVUDQWIG-UHFFFAOYSA-N", "SMILES:COc1nn2cc(-c3cc4ccc5c(c4o3)OC(COc3ccc(F)cc3)CO5)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJSADDJHZGKMFX-UHFFFAOYSA-N", "SMILES:COc1nn2cc(-c3cc4ccc5c(c4o3)OCC(COc3ccc(F)cc3)O5)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3334887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFHUVLOTZSSZDR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2cn(Cc3ccccc3)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLUYMIVVAYRECT-OCCSQVGLSA-N", "SMILES:CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMIPCDJYZXYYLQ-UHFFFAOYSA-N", "SMILES:CC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ncnc5c4)n3)ccc2nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSFLJKWUAIYKRN-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2n1C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDISVVZPVDGCA-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cccc(Nc2cccc(N3CCCNCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWNLMNYAYHHTHY-LMOVPXPDSA-N", "SMILES:Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)n5)cc24)CCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBMXVRDJHWHIPX-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccnc(Nc2ccc3c(c2)CC(=O)C(C(C)=O)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSDZPPRQLIZLDG-IYARVYRRSA-N", "SMILES:COCCN[C@H]1CC[C@H](Nc2cc(-c3csc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4525049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHXPTSUVPZYDW-IYARVYRRSA-N", "SMILES:N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWQVQSXLXAXOPJ-ACRUOGEOSA-N", "SMILES:COC[C@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5182944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCTBUXUNIXTCND-UHFFFAOYSA-N", "SMILES:CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3nccc(-c4cccnc4)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDGDTQLLJKBTHW-JLHYYAGUSA-N", "SMILES:O=C1/C(=C/c2c[nH]c3ncccc23)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHXPWDUUXXJIR-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2c(-c3ccoc3)nc3cnccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVSGUUDSIVWNBH-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2c(-c3ccncc3)nc3cnccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVZJFCNYSSUDCU-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2nc(NC3CCC(N)CC3)ncc2Cl)c1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPIHUWHLMNFOV-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2nc(NC3CCC(N)CC3)ncc2F)c1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVOYRPVIZNJKHS-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC2CCC(N)CC2)nc1-c1cnc2ccc(-c3ccccc3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUDLEXBIVZPJBU-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(N)c(C(=O)c3ccc(C#N)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYKKXAMILDNUNO-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1c[nH]cc1NC(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KESREJTUEHXOEQ-FXZZWCIXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCSC)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXFHMRFEKEVON-LCQMPJFHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRFFADOYSOZCCG-DKTXOJPGSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGPGBGPWKXONP-NVAZTIMOSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUXWLTUFFYTEW-QJZCZBOMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTQSSNFXUGOCP-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCc1ccc(N2CCOCC2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDTOGAGFVXJURX-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCc1nc2ccccc2s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWDAACWHGFWSH-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOSZOHHEUVCBFU-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCc1ccc2ccccc2c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHZOOZJGSRIHQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(CCC(O)(CC(=O)O)C(=O)O)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAIQNAHCSGZLDB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc(CCC(O)(CC(=O)O)C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXEWYDPUMYFPPF-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCc1ccc(-c2cccc3c2NCCC3)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJFFWVFYAZYDN-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc(CCC(O)(CC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUYFOOFWWXWDPH-UHFFFAOYSA-N", "SMILES:CCn1nccc1-c1ccc(CCC(O)(CC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRAOEEPMIIIBKD-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCc1ccc(-c2ccn[nH]2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVXSLTDKKWWMEA-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCc1ccc(-c2cccc(OC(F)(F)F)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZDSZZSDHUVXKU-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCc1ccc(-c2ccc3c(c2)OCO3)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVAXKULIHLBOIG-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1ccc(CCC(O)(CC(=O)O)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPGRXBGZRDITPD-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2ccc(CCC(O)(CC(=O)O)C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLECNDWBPJKEHJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cccc(-c2ccc(CCC(O)(CC(=O)O)C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFCGHXRYTYHKP-UHFFFAOYSA-N", "SMILES:CCCOc1cccc(-c2ccc(CCC(O)(CC(=O)O)C(=O)O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWFDAYSYISQAJ-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZHACWSKTSATSO-UHFFFAOYSA-N", "SMILES:O=C(O)CC(O)(CCc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCUUVYDJWVPTPF-UHFFFAOYSA-N", "SMILES:Cc1ccc(COc2ccccc2CN(C)CCN)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVVQPGOSHOCUNX-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1ccc(C)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDMQVDSIWYXOK-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OCc1ccc(Cl)c(Cl)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIVQLDAOIIGVRD-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1ccc(Cl)c(Cl)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLIGVCDYNONMTC-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OCc1ccc(Cl)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXZWRXPZJBFPOQ-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1ccc(Cl)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLEGQIWRQXYLMF-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OCc1cccc(Cl)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHKQHHHDXZYPLA-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1cccc(Cl)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVWYTPYJFCZPDK-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OCc1ccc(-c2ccccc2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCBPOKJZBPXSHV-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1ccc(-c2ccccc2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXNKYWVAMAOSLI-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OCc1ccc(-c2nccs2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISDCHAMFPKENV-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1ccc(-c2nccs2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUJCRBQXCHMLEF-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OCc1ccc(-c2cscn2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTULIRPIIPSWAH-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1ccc(-c2cscn2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHRTXLGFVIEWEV-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OCc1ccc(-c2cncs2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXJBLPMTPSTDTB-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1ccc(-c2cncs2)cc1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FREDFJUZUAJAMU-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OCc1ccc(-c2nccs2)c(Cl)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOUNSFVZBUBJJM-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1ccc(-c2nccs2)c(Cl)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZGKIUHPHDYRMC-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1ccccc1OCc1cccc(-c2nccs2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTAHXYVQPUJKJM-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccccc1OCc1cccc(-c2nccs2)c1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGLUYHIGDAHROE-FQEVSTJZSA-N", "SMILES:CNC[C@H](O)CN(C)Cc1ccccc1OCc1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGLUYHIGDAHROE-HXUWFJFHSA-N", "SMILES:CNC[C@@H](O)CN(C)Cc1ccccc1OCc1ccc(-c2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFQFZLZUYSLBRQ-FQEVSTJZSA-N", "SMILES:CNC[C@H](O)CN(C)Cc1ccccc1OCc1ccc(-c2cscn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNBYZAPNKWTVTR-FQEVSTJZSA-N", "SMILES:CNC[C@H](O)CN(C)Cc1ccccc1OCc1ccc(-c2cncs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMKLFWMQTDMELK-SFHVURJKSA-N", "SMILES:CNC[C@H](O)CN(C)Cc1ccccc1OCc1ccc(-c2nccs2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMKLFWMQTDMELK-GOSISDBHSA-N", "SMILES:CNC[C@@H](O)CN(C)Cc1ccccc1OCc1ccc(-c2nccs2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYAODYBTCNOEPW-FQEVSTJZSA-N", "SMILES:CNC[C@H](O)CN(C)Cc1ccccc1OCc1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYAODYBTCNOEPW-HXUWFJFHSA-N", "SMILES:CNC[C@@H](O)CN(C)Cc1ccccc1OCc1cccc(-c2nccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4562170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOIPDYXMOWADRA-UHFFFAOYSA-N", "SMILES:CNCC(O)CN1CCc2c(cccc2OCc2ccc(-c3nccs3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNRUOPNKLYKBV-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccnc3)c3ccccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCKDYYZJYFSBY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C(C)n3nc(C)c4c(N)ncnc43)nn(-c3cccnc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIGJGGMOHOJXFU-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccnc3)c3cc(F)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFOOSWVNDGDND-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYZXUUFRTMKPEI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C(C)n3nc(C)c4c(N)ncnc43)nn(-c3cccnc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFOOTKUTFGZOMU-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccnc3)c3cc(C#N)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKEHJALAHTVYSP-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccnc3)c3ccc(Cl)cc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHRHHMKECWHDJH-UHFFFAOYSA-N", "SMILES:CCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(C)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUXDHFYWYUKYKI-UHFFFAOYSA-N", "SMILES:Cc1nn(C(c2nn(-c3cccnc3)c3cc(Cl)ccc23)C(C)C)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNBXUMNYHULJSO-UHFFFAOYSA-N", "SMILES:Cc1nn(C(c2nn(-c3cccnc3)c3cc(Cl)ccc23)C2CC2)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAINYAJRLYEUAP-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3ccccc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQEKKKFDTVHHAN-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2nc(C(C)n3nc(C)c4c(N)ncnc43)c3ccc(Cl)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJTLAZGDHCIHDP-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccc(F)c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLUDRHGIGDWEQQ-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cc(F)cc(F)c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWOUFMOPJRBIW-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nc(C(C)n3nc(C)c4c(N)ncnc43)c3ccc(Cl)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNBWYCMYXTUPL-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccc(O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAZJEIYSGUDQG-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccc(C#N)c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DORALURFEKTKBA-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccc(C(N)=O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWTIGUCBWQWAAJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-n2nc(C(C)n3nc(C)c4c(N)ncnc43)c3ccc(Cl)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JORUXLYCUVUWTC-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccc(S(C)(=O)=O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGSGJABFCNVBRL-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccc(NS(C)(=O)=O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZGAWVLISCZGS-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3ccc(C(N)=O)cc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXDPZXFHZHUDZ-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3ccc(S(C)(=O)=O)cc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZZBDRSAFDYQX-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3ccc4c(c3)OCCO4)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJULXLLAASGNJC-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3ccccn3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOALVFPYNWGHO-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3ccncc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIPIUSJZOWGWQX-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cncnc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRWZVHNITMVUJX-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(C)n3nc(C)c4c(N)ncnc43)c3ccc(Cl)cc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVGWIUXTQVVDZ-UHFFFAOYSA-N", "SMILES:COc1ncc(-n2nc(C(C)n3nc(C)c4c(N)ncnc43)c3ccc(Cl)cc32)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSASDLTUSMBAT-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3ccc4cccnc4c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGXMPHZVLXAGE-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(Cc3ccccn3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJOWWOORJZZWAO-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3ccsc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVMWTEIAGGDNIG-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3ccc4ccn(C)c4c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXPMVBRUZZCEKM-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1ncc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXGILKWVAKZSJC-UHFFFAOYSA-N", "SMILES:CCc1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXJCVNEJSQUJS-UHFFFAOYSA-N", "SMILES:Cc1nc(N)c2c(C)nn(C(C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYLGSNGPGPEJML-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2nc(N)nc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBJKNSLVVFWFY-UHFFFAOYSA-N", "SMILES:CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOJWCSGBIZNRSH-UHFFFAOYSA-N", "SMILES:CCc1nn(C(C)c2nn(-c3ccncc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBYNBFAOWCZIOV-UHFFFAOYSA-N", "SMILES:CCc1nn(C(C)c2nn(-c3cccc(S(C)(=O)=O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUDNRTYXOBMHC-UHFFFAOYSA-N", "SMILES:CCc1nn(C(C)c2nn(-c3ccc(S(C)(=O)=O)cc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAJONJTDUUZFC-UHFFFAOYSA-N", "SMILES:CCc1nn(C(C)c2nn(-c3cccc(C(N)=O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXCQQQFCJDKKI-UHFFFAOYSA-N", "SMILES:CCc1nn(C(C)c2nn(-c3ccc(C(N)=O)cc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOALVFPYNWGHO-LBPRGKRZSA-N", "SMILES:Cc1nn([C@@H](C)c2nn(-c3ccncc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXOALVFPYNWGHO-GFCCVEGCSA-N", "SMILES:Cc1nn([C@H](C)c2nn(-c3ccncc3)c3cc(Cl)ccc23)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXSHUAWZJLAPHA-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1cc2c(=O)n(C)c(CN3CCN(CCN)CC3)nc2cc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPAXRIKSUXHHB-UHFFFAOYSA-N", "SMILES:O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccncc2)c(C#Cc2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPQKOXDIQRGKQ-CALCHBBNSA-N", "SMILES:O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1528242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKZWXHKFXZIMA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCGVORIOHOIPBC-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3ccc(CNC(=O)c4cccnc4)cc3)oc2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL17289", "category": ["biolink:ChemicalEntity"], "name": "CHS-828", "xref": ["InChIKey:BOIPLTNGIAPDBY-UHFFFAOYSA-N", "SMILES:N#CN=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1"], "synonym": ["Chs 828", "Chs-828", "CHS 828", "CHS828", "GMX 1778", "GMX-1778", "GMX1778"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5573325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCUAXUHZRNUDEK-QBPKDAKJSA-O", "SMILES:O=C(NCc1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDDZWQBRQKJLCA-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc[nH]n1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPUPZATTCTFJD-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1noc2cc(NC(=O)NCc3cnco3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSOHNHLOLGQCY-CALCHBBNSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUEQAVONCDUZBA-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccncc1)Nc1ccc2nc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZQDFIKUYBSQRQ-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c3nc(nc12)NCC1(CCCCCOc2ccccc2CN3)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLOFAMHSVMGLKL-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c3nc(nc12)NCC1(CCCCCOc2ccccc2CN3)CNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODTNVBQMSINVPK-FQEVSTJZSA-N", "SMILES:CC(C)c1cnn2c3nc(nc12)NCC1(CCC[C@H](O)COc2ccccc2CN3)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODTNVBQMSINVPK-HXUWFJFHSA-N", "SMILES:CC(C)c1cnn2c3nc(nc12)NCC1(CCC[C@@H](O)COc2ccccc2CN3)CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUFBQRCYARGKGP-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc3c(n2)N(C2CCOCC2)Cc2nccn2-3)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNKBFUMIUAWAEL-UHFFFAOYSA-N", "SMILES:Cc1cc2cccnc2cc1Nc1ncc2c(n1)N(C1CCOCC1)Cc1nccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZCPETDLOYWCPW-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)Cc1nccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVIHLLQYMDZMO-UHFFFAOYSA-N", "SMILES:c1cn2c(n1)CN(C1CCOCC1)c1nc(Nc3ccc4nccnc4c3)ncc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNUCVDMLZHBTQG-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2cnn(C)c2)cc1Nc1ncc2c(n1)N(C1CCOCC1)Cc1nccn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGCXBGGWNIKJJ-UHFFFAOYSA-N", "SMILES:c1cnc2cc(Nc3ncc4c(n3)N(C3CCOCC3)Cc3nncn3-4)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIZRBMRIVVBQAA-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncc3c(n2)N(C2CCOCC2)Cc2nnc(C)n2-3)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBRGXFYGZDOSFF-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)Cc1nncn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWHAWLAVBHXETG-UHFFFAOYSA-N", "SMILES:Cc1nnc2n1-c1cnc(Nc3ccc4nccnc4c3)nc1N(C1CCOCC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCJWSMRXTGSORO-UHFFFAOYSA-N", "SMILES:Cc1cc2cccnc2cc1Nc1ncc2c(n1)N(C1CCOCC1)Cc1nncn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJUVKZGGNMBSAO-UHFFFAOYSA-N", "SMILES:Cc1cc2cccnc2cc1Nc1ncc2c(n1)N(C1CCOCC1)Cc1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDNMAMLIBGKSPB-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)Cc1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXEMBSVASUPWSW-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2cnn(C)c2)cc1Nc1ncc2c(n1)N(C1CCOCC1)Cc1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKRGVHZRTWNZBF-UHFFFAOYSA-N", "SMILES:Cc1cnc(-c2cnn(C)c2)cc1Nc1ncc2c(n1)N(C1CCOCC1)Cc1nncn1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1488758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITTIIEUOMHMQAO-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc2c1CCCCC2"]}
{"name": "Chromodomain-helicase-DNA-binding protein 1-like", "xref": ["CHEMBL.TARGET:CHEMBL5724766"], "id": "UniProtKB:Q86WJ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLTXXOCJBMXERF-CHWSQXEVSA-N", "SMILES:COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCRURWYDRIQCT-GDNBJRDFSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\\c2ccco2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPQLGNHYUWNQJ-DHDCSXOGSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\\c2ccc[nH]2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOWMYGSHSBEHD-PXNMLYILSA-N", "SMILES:CCOC(=O)c1cc(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCUFNPDPRQPLAZ-YBEGLDIGSA-N", "SMILES:Cc1cc(C)c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZZWVGKSDVLKOS-DHDCSXOGSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMLDNCJXWXLPZ-BOPFTXTBSA-N", "SMILES:CCOC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUMVPHMOLUGKPD-YBEGLDIGSA-N", "SMILES:COC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEOXIHRLVDENPV-YBEGLDIGSA-N", "SMILES:CNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFKTZZKLMWDMEC-DHDCSXOGSA-N", "SMILES:Cc1[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c(C)c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMFTGWRVSFXDI-YVLHZVERSA-N", "SMILES:CC(=O)Nc1c(C)[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCHNKEVPOKBCCW-SXGWCWSVSA-N", "SMILES:CC(=O)Nc1c[nH]c(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCZRMGWNBGALE-CHHVJCJISA-N", "SMILES:Cn1cc(/C=C2\\C(=O)Nc3cc(NC(=O)Nc4cc(C(C)(C)C)on4)ccc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCLAZUCHGGRSNT-ZSOIEALJSA-N", "SMILES:Cc1nc[nH]c1/C=C1\\C(=O)Nc2cc(NC(=O)Nc3cc(C(C)(C)C)on3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEPMFPFAHBSYHM-LCYFTJDESA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\\c2ncc[nH]2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YONGDOSHIZGABP-NSIKDUERSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\\c2cnc[nH]2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONQUMQPDHVLAK-QCDXTXTGSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cc3c(cc2F)/C(=C/c2cnc[nH]2)C(=O)N3)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEVIJLIHKFLGTE-CHHVJCJISA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc2c(c1)NC(=O)/C2=C\\c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXNZCQBMBCOJJX-NSIKDUERSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\\c2cnc[nH]2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYQLVGVGDECLD-RZNTYIFUSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)NC(=O)/C2=C\\c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNLBCBTNOJSSO-UUASQNMZSA-N", "SMILES:COc1cc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\\c2cnc[nH]2)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCBSMPKYASOJFN-RZNTYIFUSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)Nc1ccc2c(c1)NC(=O)/C2=C\\c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZRLZUOKHCAVQK-GRSHGNNSSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\\c2cnc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAVUHNNNWYWXQZ-NVMNQCDNSA-N", "SMILES:CN(C)c1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\\c2cnc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDLQXDFXDDFLTM-JAIQZWGSSA-N", "SMILES:CCN(CC)c1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\\c2cnc[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXJFMVVLXSTTA-JAIQZWGSSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\\c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDWROYLCGNWMEY-JAIQZWGSSA-N", "SMILES:O=C(Nc1ccc(N2CCNCC2)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\\c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVUPZBNNFBTMH-MTJSOVHGSA-N", "SMILES:CN1CCN(c2ccc(NC(=O)Nc3ccc4c(c3)NC(=O)/C4=C\\c3cnc[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKKLFQAPUDEPJC-QRVIBDJDSA-N", "SMILES:CC1(C)CCN(Cc2ccc(NC(=O)Nc3ccc4c(c3)NC(=O)/C4=C\\c3cnc[nH]3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVDPGONSJYWBU-FBHDLOMBSA-N", "SMILES:O=C(Nc1ccc(Cc2ccc(C(F)(F)F)nc2)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\\c1cnc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOGNVOASYANSAN-QFEZKATASA-N", "SMILES:CN(C)c1ccc(Cc2ccc(NC(=O)Nc3ccc4c(c3)NC(=O)/C4=C\\c3cnc[nH]3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPHBGBBLSBNSZ-UHFFFAOYSA-N", "SMILES:COc1cc(SC(F)(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSVOKVXGNSOLHC-UHFFFAOYSA-N", "SMILES:COc1cc(SC(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKUXXZUPTVIQFG-UHFFFAOYSA-N", "SMILES:COc1cc([S+]([O-])C(F)(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEKSHZPTKVTANE-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)C(F)(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWURGGHAYKQBKP-UHFFFAOYSA-N", "SMILES:COc1cc([S+]([O-])C(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZKWNWCOIFYGFR-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)C(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLTXVZXAQTGGL-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)CF)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBUDNHGSEFBRJO-UHFFFAOYSA-N", "SMILES:COc1cc(SSC(F)(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXDYWCYEZKJGE-UHFFFAOYSA-N", "SMILES:COc1cc(SSC(C)(C)C)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCOUXUZPHCLXJK-UHFFFAOYSA-N", "SMILES:COc1cc(SCCC(F)(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDUOZJAZIXDCQD-UHFFFAOYSA-N", "SMILES:COc1cc(SCCC(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHNHKJUUYXAYHH-UHFFFAOYSA-N", "SMILES:COc1cc(SCC(F)(F)C(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYNKGPIBZPOGH-UHFFFAOYSA-N", "SMILES:COc1cc(OCCC(F)(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCBFONOVFGSZJN-UHFFFAOYSA-N", "SMILES:COc1cc(OCCC(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RECFUICFWKIMFD-UHFFFAOYSA-N", "SMILES:COc1cc(OCCCF)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJCCTWILWJROTB-UHFFFAOYSA-N", "SMILES:COc1cc([Se]C(F)(F)F)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UASYRSOFPFJSBK-UHFFFAOYSA-N", "SMILES:C#CCSc1cc(OC)c(CCN)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDYXHXTUGWWSEW-UHFFFAOYSA-N", "SMILES:C#CCCCSc1cc(OC)c(CCN)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKUYTGHKUYHKDO-UHFFFAOYSA-N", "SMILES:COc1cc(SCC#N)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJZOWWULPBIOBQ-UHFFFAOYSA-N", "SMILES:COc1cc(CCN)cc(OC)c1SC(F)(F)F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCCOZNHQVYNTAI-UHFFFAOYSA-N", "SMILES:COc1cc(SC(F)(F)F)c(OC)cc1CC(C)N.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYQKAPFUXJGJMG-UHFFFAOYSA-N", "SMILES:COc1cc(SC(F)(F)F)c(OC)cc1CCNCC1CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYQDHTWFZPARQ-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCCC2)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAFVGDRNPGLCMI-UHFFFAOYSA-N", "SMILES:COc1cc(SCCCF)c(OC)cc1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVCSIKISADNGMR-UHFFFAOYSA-N", "SMILES:COc1cc(SCC(F)F)c(OC)cc1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BILSBDMCLLFSAV-UHFFFAOYSA-N", "SMILES:COc1cc(SCCCCF)c(OC)cc1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHNFTGKRRUDUST-UHFFFAOYSA-N", "SMILES:COc1cc(C(C)(C)C)c(OC)cc1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWZCNGRSWNFZKJ-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)C(C)(C)C)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJOQDXXEPEONS-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)C(C)(C)C)c(OC)cc1CCN.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL127285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSVDMTZXLJTPNX-UHFFFAOYSA-N", "SMILES:COc1cc(SC(C)(C)C)c(OC)cc1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDKWYHFUOIJDJ-GOSISDBHSA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2)cnc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEUKKSXBURGBJ-KBXCAEBGSA-N", "SMILES:Cc1cncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSOOLGNLWQNCKX-FRQCXROJSA-N", "SMILES:Cc1cncc(NC(=O)C(=O)N2[C@@H](c3ccccc3)CC[C@H](C)[C@H]2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMFOHKBBJRAXGJ-SUMWQHHRSA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOYROHAMDDQRBO-SUMWQHHRSA-N", "SMILES:C[C@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXASQJVMNIVNCI-ORAYPTAESA-N", "SMILES:Cc1cc2[nH]c(C(=O)N3C[C@@H](C)CC[C@@H]3c3ccccc3)cc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCLVAQHMGYMOMU-YCRPNKLZSA-N", "SMILES:Cc1cc2cc(C(=O)N3C[C@@H](C)CC[C@@H]3c3ccccc3)ccc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZWNDLUUFKDNS-VBKZILBWSA-N", "SMILES:Cc1cc2cc(C(=O)N3C[C@@H](C)CC[C@@H]3c3ccccc3)ncc2nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMVOCICCTIDOOG-YVEFUNNKSA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(O)cc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVAALFNBGQADBH-YVEFUNNKSA-N", "SMILES:C[C@H]1CC[C@H](c2ccc(O)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWRZECYALJEHC-KPZWWZAWSA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3[nH]ncc3c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQCXLZGCDRWIW-KPZWWZAWSA-N", "SMILES:C[C@H]1CC[C@H](c2ccc3[nH]ncc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXSWFTXIUDCSFL-ORAYPTAESA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3[nH]ccc3c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLXZDXBRVPMXGK-ORAYPTAESA-N", "SMILES:C[C@H]1CC[C@H](c2ccc3[nH]ccc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXDWYSCPHBUKSU-KPZWWZAWSA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3[nH]cnc3c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKDFOOZKKVNNQP-KPZWWZAWSA-N", "SMILES:C[C@H]1CC[C@H](c2ccc3[nH]cnc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXAVXXDYMSSQOW-KPZWWZAWSA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3c(c2)CC(=O)N3)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWFCASVDTLPPBL-KPZWWZAWSA-N", "SMILES:C[C@H]1CC[C@H](c2ccc3c(c2)CC(=O)N3)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VENOPHBCRUOXRH-ORAYPTAESA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3c(c2)CCC(=O)N3)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMRXVIUGAQNXOF-ORAYPTAESA-N", "SMILES:C[C@H]1CC[C@H](c2ccc3c(c2)CCC(=O)N3)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBWSLJYZSXAWOS-YVEFUNNKSA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(C(F)F)cc2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VINABLDTLWUUMQ-YVEFUNNKSA-N", "SMILES:C[C@H]1CC[C@H](c2ccc(C(F)F)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNPXPGETMPUTL-VBKZILBWSA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3cnccc3c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJOYSQOHOUCXOA-VBKZILBWSA-N", "SMILES:C[C@H]1CC[C@H](c2ccc3cnccc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYKKOJVJDCTLL-YVEFUNNKSA-N", "SMILES:C[C@H]1CC[C@H](c2ccc3scnc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXXBDYHMHHINFC-YVEFUNNKSA-N", "SMILES:Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3scnc3c2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNIRILQPOFNWRF-BGNMFLSWSA-N", "SMILES:C[C@@](O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSCCNC(=O)c3ccc(O)c(O)c3Cl)CS[C@H]12)c1nc(N)sc1Cl)(C(=O)O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBJFEFHCTYMJFD-JKUQZMGJSA-N", "SMILES:O=CN(O)C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O"]}
{"name": "Phosphoheptose isomerase", "xref": ["CHEMBL.TARGET:CHEMBL6067458"], "id": "UniProtKB:Q93UJ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:272560"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNMFURBRXFDBRC-JKUQZMGJSA-N", "SMILES:O=CN(O)C[C@H](O)[C@H](O)[C@H](O)CP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKSIRUUOXLTTI-FNCXLRSCSA-M", "SMILES:O=CN(O)C[C@H](O)[C@H](O)[C@H](O)CCP(=O)([O-])O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQOCQFLSKBTBDU-WOEGCCIPSA-M", "SMILES:O=CN(O)C[C@H](O)[C@H](O)[C@H](O)/C=C/P(=O)([O-])O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCZUZNAFOIHZAQ-DGDHRHLVSA-M", "SMILES:O=CN(O)C[C@H](O)[C@H](O)[C@H](O)C(O)C(O)P(=O)([O-])O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPUCJLFYDGUFA-XCMKYYOMSA-M", "SMILES:O=CN(O)C[C@H](O)[C@H](O)[C@H](O)C(O)CP(=O)([O-])O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODFOLAVPDXTMLO-HASCPWPMSA-M", "SMILES:O=CN(O)C[C@H](O)[C@H](O)[C@H](O)CC(O)P(=O)([O-])O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWTGSIHSDQGXAV-FSDSQADBSA-N", "SMILES:O=CN(O)C[C@@H](O)[C@H](O)[C@H](O)CCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVMEJHTXIFUEW-RNFRBKRXSA-N", "SMILES:O=CN(O)C[C@H](O)C[C@H](O)CCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWAHGTLTFFZDBR-HASCPWPMSA-M", "SMILES:O=CN(O)C[C@H](O)[C@H](O)[C@H](O)CC(F)P(=O)([O-])O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPOEMLWZQSIBT-KJESCUSBSA-M", "SMILES:O=CN(O)C[C@H](O)[C@H](O)[C@H](O)CC(F)(F)P(=O)([O-])O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFQAKQZKOBLFCE-AIHAYLRMSA-N", "SMILES:O=C(NO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMAXMPGETNADCS-LRTDBIEQSA-N", "SMILES:C[C@@H](n1ccc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVZNEXNCXYJJBR-MPBGBICISA-N", "SMILES:C[C@@H](n1ccc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cnnn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYAUKDBAQCFXHR-NSPYISDASA-N", "SMILES:C[C@@H](n1ncc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cnnn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKXNWNROIDJGLM-NSPYISDASA-N", "SMILES:C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cnnn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLRIVCSVQZDBGC-MPBGBICISA-N", "SMILES:C[C@@H](n1ncc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLUWNSLFLMBFKA-RMCUFUCFSA-N", "SMILES:COc1cc2c(NC3CCN(CCCC(=O)NCCCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXLUKIBRYMSSPZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccc3nc(Nc4nc(Cl)ccc4[N+](=O)[O-])ncc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRKXKBMGTVDZAJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(-c2ccc3nc(Nc4nc(Cl)ccc4[N+](=O)[O-])ncc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATDRDEVUJYZLAC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(-c2ccc3ncncc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMGRXHXIUSBQM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(-c2ccc3nc(Nc4ncccc4[N+](=O)[O-])ncc3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMAZSAOCIYGKO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2ccc3nc(Sc4nc(Cl)ccc4[N+](=O)[O-])ncc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWEAJJXKEDCFNU-UHFFFAOYSA-N", "SMILES:O=C(CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCN1CCN(c2ccc(-c3cnc(NCc4ccco4)n4cnnc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USALWZWDTMQMFR-XXZNOAOZSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCCCN2CCN(c3ccc(-c4cnc(NCc5ccco5)n5cnnc45)cc3)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLUFJJNMDGULO-CUFXFIHSSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1cccc(OCCCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSDAFLRLHGTNH-DTKLLKMQSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1cccc(OCCCCCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVDFYSZDTDNVGI-IULYUVDUSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1cccc(OCCCCCCCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KODQVVYXEZROAE-SJDLJJKHSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1cccc(OCCCCCCN(C)CCN(C)c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMNZUZFQRMXXRK-IHUJOMRZSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1cn(CCOCCOCCOCCC(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFZVBPHYIJDIMG-IWDMOQEJSA-N", "SMILES:C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1cn(CCOCCOCCOCCC(=O)N(C)CCN(C)c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQTRENMCUBMCPU-AEQZNLLOSA-N", "SMILES:CC(C)(COCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDDFCFQZZFAEEN-MHOKZKRYSA-N", "SMILES:CC(C)(CCOCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQNBHIDGTPRYPY-KQXPBRHMSA-N", "SMILES:CN(CCN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)CCC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAJZFSMHQFCKIQ-FCKYKTSTSA-N", "SMILES:CC(C)(CCC(=O)NCCCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGFUSONZXVYWPC-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(Br)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UULOXBMGVDHZBS-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(-c4ccncc4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJPWDPYGOOJDLH-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(-c4cncnc4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGJHHOMHYFYKZ-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(-c4cc5ccccc5s4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGYSYMOPIDPOB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(Cl)cc(Oc3c(C(F)(F)F)ccn(Cc4n[nH]c(=O)n4C)c3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSHYMHCBBZFDPK-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(-c4ccc(Cl)cc4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIACYCIPWZTEK-UHFFFAOYSA-N", "SMILES:Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(-c4ccc(Br)cc4)c3)c2=O)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETWUAPXRLTACE-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cc(Cl)cc(Oc3c(C(F)(F)F)ccn(Cc4n[nH]c(=O)n4C)c3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXJAKMBSZUGJQA-OAQYLSRUSA-N", "SMILES:O=C(CO)N1CC[C@@]2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccn(C(F)F)n5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXJAKMBSZUGJQA-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccn(C(F)F)n5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCFYXLRTUWDHTE-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC2(CC4)CN(C(=O)CO)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCUGFUAVVCXGB-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC2(CC4)CCN(C(=O)CO)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYODOBBNHPRJIC-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC2(CC4)CCN(C(=O)CO)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSJRUWRITZAEAM-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC2(CCN(C(=O)CO)CC2)C4)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPVTZCAFWIIYBU-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5cn[nH]c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRORTFJVLFCLCO-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5cnn(C6CCNCC6)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXTKCSAOBPWHAH-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5cnn(C(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUZFXYCXEXGKRG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC2(CC4)CCN(C(=O)CO)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQRKIWGIGWDFZ-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1-c1cc(Cl)c(Cl)c2[nH]c3c(c12)CC1(CC3)CCN(C(=O)CO)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCFIRZZURQCPRC-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC2(CC4)CCN(C(=O)CO)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZANLWMYLQERSP-UHFFFAOYSA-N", "SMILES:Nc1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC2(CC4)CCN(C(=O)CO)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVLNYRCWDDXLM-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccc(C(F)(F)F)nc5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOXHVMGAQROHA-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccc(F)nc5F)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQYQJGKMKTPCZ-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC2(CC4)CCN(C(=O)CO)C2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMOJGMOJJOAEST-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC2(CC4)CCN(C(=O)CO)C2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUIPJQITGBNQLH-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC2(CC4)CCN(C(=O)CO)C2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBGDFXHHNUCKH-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDXYETTZHPAJBI-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(OC(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSZFQJNNHWBMBO-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWENCTJTILIUOZ-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFBQMPIDTOQIBQ-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)(F)F)n5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZICVWQCMPSVCG-UHFFFAOYSA-N", "SMILES:O=C(CO)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5cnc(C(F)(F)F)nc5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZSTUKRHBLSHA-JMXUPQJJSA-N", "SMILES:C[C@@H](O)C(=O)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXZSTUKRHBLSHA-AKYMPMEGSA-N", "SMILES:C[C@H](O)C(=O)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKOIPXAWWJEET-UHFFFAOYSA-N", "SMILES:NCC(=O)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVQIGMYKVWQVEL-JMXUPQJJSA-N", "SMILES:C[C@@H](N)C(=O)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVQIGMYKVWQVEL-AKYMPMEGSA-N", "SMILES:C[C@H](N)C(=O)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSTIUEWKCSHFML-KNGNLYPASA-N", "SMILES:C[C@H](O)[C@@H](N)C(=O)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSDAWVXUKSCOW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CC(=O)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MONUBFRHKROXMW-UHFFFAOYSA-N", "SMILES:CC(C)=C(C#N)C(=O)N1CCC2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccnc(C(F)(F)F)c5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXJAKMBSZUGJQA-NRFANRHFSA-N", "SMILES:O=C(CO)N1CC[C@]2(CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccn(C(F)F)n5)c4c3C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOQIMVIOIGRWJG-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2cc3ccc(Cl)c(Cl)c3[nH]2)c(O)c1C1OC(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LANANYVSZFMJHR-UHFFFAOYSA-N", "SMILES:C#CC(=O)N1CCn2cccc2C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLBKZGZSMSPTCL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNc1nc(=O)c2c([nH]1)CCN(Cc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGMPWRAFSRXBRL-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccccc2)[nH]c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEFXXOLMSGFPT-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccc3ccccc3c2)[nH]c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQWQDRHXBNJHE-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNc2nc(=O)c3c([nH]2)CCN(Cc2ccccc2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDFCNKWKPICTOA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(=O)c3c([nH]2)CCN(Cc2ccccc2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLZLLDWFYFOCCA-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccccc2F)[nH]c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZSXAQKOWWTQC-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccc(F)cc2)[nH]c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMDYILZKKBZZSM-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccc(Cl)cc2)[nH]c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOMQNUMWUGWZGM-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccc(Br)cc2)[nH]c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVKIFXTXXYBPLJ-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccc(C(F)(F)F)cc2)[nH]c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGTKTJJRGCXTJL-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccc(Cl)c(Cl)c2)[nH]c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKMLTKZTVBKGJ-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccc(F)c(F)c2)[nH]c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODZSSCEIDEIJB-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccc3c(c2)OCO3)[nH]c2c1CN(Cc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKEJFKJWTNNFDY-UHFFFAOYSA-N", "SMILES:Cc1cccc(CN2CCc3[nH]c(NCc4ccccc4)nc(=O)c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIXJYDOUICRPLX-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccccc2)[nH]c2c1CN(Cc1cccc(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXHBBNPSUIWTL-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccccc2)[nH]c2c1CN(Cc1ccccc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIINCPPPXCJPD-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccccc2)[nH]c2c1CN(Cc1cccc(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEXQEXQFOLCEPW-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccccc2)[nH]c2c1CN(Cc1ccc(Cl)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYAXGDBJQGDKCC-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCc3[nH]c(NCc4ccccc4)nc(=O)c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCKBOACQHLVKGB-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccccc2)[nH]c2c1CN(Cc1ccc(Cl)c(Cl)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYWXBVQLNIHKQQ-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccccc2)[nH]c2c1CN(Cc1ccc(F)c(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHCIIPBAYLSTP-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccccc2)[nH]c2c1CN(Cc1cc(F)cc(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTPIRYOVFPCJS-UHFFFAOYSA-N", "SMILES:O=c1nc(NCc2ccc(F)c(F)c2)[nH]c2c1CN(Cc1cc(F)cc(F)c1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIGPVXRDWAWGQF-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCc3[nH]c(NCc4ccc(Cl)c(Cl)c4)nc(=O)c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQHRFHUEHRHTBI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCc3[nH]c(NCc4ccc(F)cc4)nc(=O)c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYEFLWFRSNEDAW-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCc3[nH]c(NCc4ccc(F)c(F)c4)nc(=O)c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSERPLUABIILRN-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2nnnc2C(c2cccnc2)N2CCNCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBEOPANEQBQSRY-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccccn2)c2nnnn2Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBTBTDFNXSZPEC-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccc(Cl)cc2)c2nnnn2Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGGLVRRXRHFAJT-UHFFFAOYSA-N", "SMILES:CN1CCN(C(C(=O)NCCc2ccc(Cl)cc2)c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOOLBHAMVOZBEG-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccc(O)nc2)c2nnnn2CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIZQTEZRZWMQSH-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccc(C#N)cc2)c2nnnn2Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGDPGKMYHVOLPF-UHFFFAOYSA-N", "SMILES:CN1CCN(C(C(=O)NCCc2ccc(F)cc2)c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVHKGQDQDUUSAE-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccc(F)nc2)c2nnnn2CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1393473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFMUGBFABSUSKZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCUQULVAZZUCRJ-UHFFFAOYSA-N", "SMILES:c1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDINFUQWYDWPT-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2cccnc2)c2nnnn2Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDSLELMTZNFQPT-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccncc2)c2nnnn2Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZLLFHHGSORGMB-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccc(C#N)cc2)c2nnnn2CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWNAFJSECNVHJU-UHFFFAOYSA-N", "SMILES:CN1CCN(C(C(=O)NCc2ccccc2)c2ccc(C#N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBTZOWHCPKWQR-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCN(C)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1579165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQYHSKFDBZABDY-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGNIHZIDQKBDHQ-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2cccnc2)c2nnnn2CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKZYFVJOAVRFF-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOQBYAUOMQFDN-UHFFFAOYSA-N", "SMILES:CN1CCN(C(c2ccc(O)cc2)c2nnnn2CCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQSQAWIKJDXQAM-UHFFFAOYSA-N", "SMILES:CN1CCN(C(C(=O)NCCc2ccc(F)cc2)c2ccc(C#N)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVWPOIUAPXDLMB-NDEPHWFRSA-N", "SMILES:COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVWPOIUAPXDLMB-MUUNZHRXSA-N", "SMILES:COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVGMJDBVDKXMX-UHFFFAOYSA-N", "SMILES:CN1CCN(C(C(=O)NCc2ccccc2)c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYBBYHOJMDYCAU-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQWZMSSPDDDVHX-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)cc2c1"]}
{"name": "Excitatory amino acid transporter 2", "xref": ["CHEMBL.TARGET:CHEMBL2900"], "id": "UniProtKB:P31596", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL66913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKKDUDNNZMEMBD-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NCc3ccc4c(c3)OCO4)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVASSKARGGGPC-CQSZACIVSA-N", "SMILES:COc1cc2ncnc(N[C@H](C)c3cccc(F)c3)c2cc1OC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFSPWXQGVZJYSG-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NCc3ccccc3C(F)(F)F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1418759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRFECAMPSDAFF-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NCc3cccc(Cl)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTRLSAYDVSPYCS-UHFFFAOYSA-N", "SMILES:Clc1ccc(CNc2ncnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4474849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDUKMCXMOCKPQZ-UHFFFAOYSA-N", "SMILES:Clc1cccc(Nc2ncnc3sc4c(c23)CCCC4)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1329961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQSDPDFFQAZSE-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2ncnc3sc4c(c23)CCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3237081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVGHPAYGKDZTDH-UHFFFAOYSA-N", "SMILES:Cc1sc2ncnc(Nc3ccc(F)cc3)c2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUCHXPIBGRWZFJ-UHFFFAOYSA-N", "SMILES:CCc1cc2c(Nc3ccc(Cl)cc3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOAQKBHLDJDJJP-UHFFFAOYSA-N", "SMILES:c1ccc2c(Nc3ccc4c(c3)OCO4)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXVSXDDWPHEMRP-UHFFFAOYSA-N", "SMILES:CCc1cc2c(Nc3ccc(OC)cc3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1613442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLUHWTUFJZKUST-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ncnc3c2cnn3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL406405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPHAWVFZQFOJA-JCWFFFCVSA-N", "SMILES:CC[C@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL94805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACNRTYKOPZDRCO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCC=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLVRHQFXQFSBQK-BCXZNTRWSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](CC2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXMRSAGDCJGMTG-MNNMKWMVSA-N", "SMILES:CN(C)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZQYVMNDRBKLO-SDHOMARFSA-N", "SMILES:O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNDWVEQSKIVIHQ-UHFFFAOYSA-N", "SMILES:CC(C)(OCC(F)(F)F)C([Se]c1ccccc1)C(=O)Nc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGSAIDNWLQNZNJ-MBXXOJFBSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](Oc2ccc(COC(=O)O[C@@H]3C[C@@H](C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)N(C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]4N=C(c5ccc(Cl)cc5)c5c(sc(C)c5C)-n5c(C)nnc54)C(C)(C)C)C3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWQBUSIGZLXUII-ZFRLZFHFSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc34)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJMIFCNYWSEJIH-QZJLZKDQSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4N)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEGQKPLLXDFDTG-RRRALXMPSA-N", "SMILES:CNc1ccccc1[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVIADIKKTBFNCC-SVMMDPMYSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NCC4CC4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHIUYOJVKAQOB-UOIYDVPISA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NCc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOHXXUWIWNDWNL-CFHHNRIYSA-N", "SMILES:COc1ccc(CNc2ccccc2[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWWJNSMQQWWBTI-CFHHNRIYSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4N(C)Cc4ccc(C(F)(F)F)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUHHZXDJOROCOQ-UCYKMKBSSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)C(C)(C)C)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCERCNNVCGSWLY-YBVCECKOSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)c4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJVVRZIAIPWNGX-RHDCXTLYSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)c4ccc(C)c(C)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDTDMJAFVFSTRT-CTOKTTQTSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)c4ccc(Cl)c(Cl)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPEHCOVNPJPXQT-YXDXVGDMSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)c4ccccc4O)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUSMVHVOXXITJ-AMNGUUIDSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)Cc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNYRZTGVWAOSPG-ZIPWGJHNSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)OCc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNDNLQCHFAETBM-MSNZITAJSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)Cc4ccc(C)c(C)c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOAHRIPTAZQSQI-PQHGXVRUSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NCC4CCCC4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAAKRBUNXRRBLQ-ABNSBUSKSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NCC4CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZISOVVRCWGXJQ-MRNHVLJSSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)c4ccc6[nH]ccc6c4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNQBDJPTXAZRX-WLHGVMLRSA-N", "SMILES:COc1ccc2c3ccnc(C)c3n(CCN(C)C)c2c1.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDNZQQUMVZIGGM-XAYIRVKOSA-N", "SMILES:COc1ccc2c(c1)N(CCN(C)C)/C(=C/C(C)=O)S2.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJAYMIMRYWPCDK-WLHGVMLRSA-N", "SMILES:COc1ccc2c(c1)c1ccnc(C)c1n2CCN(C)C.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAMOUVEYUSVBE-WLHGVMLRSA-N", "SMILES:Cc1nccc2c3ccccc3n(CCN(C)C)c12.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFJIWMCCAJQHMN-XAYIRVKOSA-N", "SMILES:COc1ccc2c(c1)S/C(=C\\C(C)=O)N2CCN(C)C.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIIPCVVLYLMSBC-MTXKMWOKSA-N", "SMILES:CC(=O)/C=C1\\Sc2ccccc2N1CCN(C)C.O=C(O)/C=C/C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL283807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQFCJASXJCIDSX-UUOKFMHZSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1"], "chembl_natural_product": true}
{"name": "Xanthine-guanine phosphoribosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3988588"], "id": "UniProtKB:P0A9M5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDQWSUFOTXTHGI-SFYZADRCSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2C[C@@H](CO)N(C(=O)CCP(=O)(O)O)C2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDUDHYPFAMPGN-VHSXEESVSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2C[C@H](COCCP(=O)(O)O)N(C(=O)CCP(=O)(O)O)C2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDUDHYPFAMPGN-NXEZZACHSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2C[C@H](COCCP(=O)(O)O)N(C(=O)CCP(=O)(O)O)C2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDUDHYPFAMPGN-UWVGGRQHSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2C[C@@H](COCCP(=O)(O)O)N(C(=O)CCP(=O)(O)O)C2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APDUDHYPFAMPGN-ZJUUUORDSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2C[C@@H](COCCP(=O)(O)O)N(C(=O)CCP(=O)(O)O)C2)c(=O)[nH]1"]}
{"name": "Hypoxanthine-guanine-xanthine phosphoribosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3988608"], "id": "UniProtKB:P20035", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5838"]}
{"name": "Hypoxanthine-guanine phosphoribosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4295584"], "id": "UniProtKB:P9WHQ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMIYVQLNQQZGC-CFMCSPIPSA-N", "SMILES:COC(CF)COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIZMZKXYVOCGE-UEWDXFNNSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OCC(O)CF)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUKUOCFLJLBSSP-GKCIPKSASA-N", "SMILES:CC1(C)O[C@@H](CF)[C@H](COc2ccc3nccc(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)c3c2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIEPKNNSCPIQDM-IGNZVWTISA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OC[C@H](O)[C@@H](O)CF)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJCNQPXUEKAOJB-NTISSMGPSA-N", "SMILES:C[N+](C)(CF)CCCOc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1.O=S(=O)([O-])c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMVMZBWANMNQPB-NDEPHWFRSA-N", "SMILES:CN(CC(=O)O)C1(CCCCNCCNc2c(NCCCCOc3ccc4nccc(C(=O)NCC(=O)N5CC(F)(F)C[C@H]5C#N)c4c3)c(=O)c2=O)CN(CC(=O)O)CCN(CC(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICWDAESAANBIGG-LJAQVGFWSA-N", "SMILES:N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OCCCN3CCN(C(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)CC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZHUGLVADWDAKE-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1Cc2cc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCFDEMPCVRRYBI-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMBYDNLDGDCOOA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTLMGIZRNCFDOJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQYZOBBQAYXBJR-UHFFFAOYSA-N", "SMILES:CN1Cc2cc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGIDQGCEMIEEX-UHFFFAOYSA-N", "SMILES:CN(C)CCN1Cc2cc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)ccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFCVJDCVIKHGS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVPRCWHOSXRNG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)Nc1ccc2c(c1)C(=O)OC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUUKOKMNEVSJES-UHFFFAOYSA-N", "SMILES:CC1OC(=O)c2cc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLYIDVRUQGGLFL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)Nc1ccc2c(c1)CNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPSLESQSXVIEDT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)Nc1ccc2c(c1)C(=O)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KILYODUCHZHNJW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)Nc1ccc2c(c1)C(=O)NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBAADHSKLBRJIT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)Nc1ccc2c(c1)CNC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVPEHGLMDEEMV-KRWDZBQOSA-N", "SMILES:C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc4c(c3)COC4=O)cc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZFUFXSYUAZZHY-OAQYLSRUSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCO[C@@H](CO)C3)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZFUFXSYUAZZHY-NRFANRHFSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCO[C@H](CO)C3)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWWZVVPUJJYJC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCVKAXPGYIFKBX-OAQYLSRUSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOC[C@H]3CO)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJQCSICTDAGMQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(-c3ccc(NC(=O)Nc4ccc5c(c4)COC5=O)cc3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NILMLDSQOOZQDA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(NC(=O)Nc4ccc5c(c4)COC5=O)cc3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVXIRKTUXNNHMQ-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2nc(-c3ccc(NC(=O)Nc4ccc5c(c4)COC5=O)cc3)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGCIMWGSOFSKL-NHCUHLMSSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3C[C@H]4C[C@@H]3CO4)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZBOSUKBYZAVDW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCCOCC3)nc(N3CCOCC3)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUGRAALBYDMEK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CC4CCC(C3)O4)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVDHLVOOHNCLEV-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1nc(-c2ccc(NC(=O)Nc3ccc4c(c3)COC4=O)cc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIETXPHJYADZRQ-DHIUTWEWSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3C[C@H]4OCCO[C@@H]4C3)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUORPRSMIKJHFF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCNCC3)nc(N3CCOCC3)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOVIHDAPWBQLNF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3CNC4)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVZAKRMYVPBYAL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2nc(N3C4CCC3COC4)nc(N3C4CCC3COC4)n2)cc1)Nc1ccc2c(c1)COC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFBUPMHFMONGPD-YTZBPGPESA-N", "SMILES:C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc4c(c3)COC4=O)cc2)nc(N2C3CCC2COC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIPAOTDUDSOTHT-UHFFFAOYSA-N", "SMILES:CCc1oc2cccc(I)c2c1C(=O)c1cc(I)c(O)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEJVHYUYHYCFLJ-UHFFFAOYSA-N", "SMILES:CCc1oc2cccc(Br)c2c1C(=O)c1cc(I)c(O)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLKLBYQVUHQGS-UHFFFAOYSA-N", "SMILES:CCc1oc2cccc(Cl)c2c1C(=O)c1cc(I)c(O)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLOWOFOTVYBRR-UHFFFAOYSA-N", "SMILES:CCc1oc2c(Cl)ccc(Cl)c2c1C(=O)c1cc(I)c(O)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFUGXSSKYVYMPF-UHFFFAOYSA-N", "SMILES:CCc1oc2cccc(C)c2c1C(=O)c1cc(I)c(O)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYAGFKLMSCGYGI-UHFFFAOYSA-N", "SMILES:CCc1oc2cccc(C(F)(F)F)c2c1C(=O)c1cc(I)c(O)c(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLKKMOHWZTOPF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3ccc(N4CCN(CCCCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3)ncc2C(F)(F)F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOEILTAMPZKISF-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)n1cc(-c2nc(Nc3ccc(N4CCNCC4)cc3)ncc2C(F)(F)F)c2ccccc21"]}
{"name": "Probable U3 small nucleolar RNA-associated protein 11", "xref": ["CHEMBL.TARGET:CHEMBL6066350"], "id": "UniProtKB:Q9Y3A2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium-coupled neutral amino acid symporter 2", "xref": ["CHEMBL.TARGET:CHEMBL6066238"], "id": "UniProtKB:Q96QD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5532404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYVXFVSJXNEQS-WRZFNOOCSA-N", "SMILES:COC(=O)[C@H](C)NC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJLZTFVARNCYGK-CPKSEDGTSA-N", "SMILES:COC(=O)[C@H](CO)NC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAOZJXJPGYUCEL-YQEFHIAZSA-N", "SMILES:COC(=O)[C@@H](NC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTUZFABUECNHLW-HWIGTIQTSA-N", "SMILES:COC(=O)[C@H](CCSC)NC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMNFVQKZJBMNQU-GQHMWKDWSA-N", "SMILES:COC(=O)CC[C@H](NC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEPCYMJLYDJKKT-NZKCHFSQSA-N", "SMILES:COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIIZDWAOMPGGI-JHYSWLLVSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(NC(=O)N[C@@H](C)C(N)=O)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRHHNIOWNSGNH-LLYXLEJJSA-N", "SMILES:COC(=O)CNC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLIGGROKVSNMPW-GQPGJROISA-N", "SMILES:COC(=O)[C@@H](NC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHUVUXJAUTUVAZ-CDJUKDIMSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCLDSMJUWLJTKD-KVMSGZHFSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEHCBMDYAUSXPI-ZIMIRHEFSA-N", "SMILES:CCOC(=O)C1(NC(=O)N[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRZYWQDMGPXURI-ZIMIRHEFSA-N", "SMILES:COC(=O)C1(NC(=O)N[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSRGJYYWXNYGJM-MRZDQBBQSA-N", "SMILES:COC(=O)C1(NC(=O)N[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYILUQWZUFXETR-QSNZUHFVSA-N", "SMILES:COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYAOQJIGUKKTAQ-HWIGTIQTSA-N", "SMILES:COC(=O)[C@@H]1CCCN1C(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQNFCTNWAITQNG-CPKSEDGTSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(NC(=O)N[C@H]4CCOC4=O)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULYAWJJQXTEFO-DUJVMUBWSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(NC(=O)N[C@H]4C[C@H](CO)[C@H](O)C4)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFKCZLVIJVHGBP-CDKFMWKUSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(NC(=O)NCCOCCO)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVIMDVBOSZUIGT-JSJVQHDDSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(NC(=O)NC(CO)CO)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSWOGUGQMOVACV-JSJVQHDDSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(NC(=O)NC(CO)(CO)CO)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQCPTYDHGVNAME-COYRJQOQSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(NC(=O)N[C@H](C)CO)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYRYAWSBMYGFOC-UHFFFAOYSA-N", "SMILES:COc1ccc2cc1Nc1ncc(Cl)c(n1)NCCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWEWPASLRUNIIQ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc1Nc1ncc(Cl)c(n1)NCCCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQGUORQZEYGYQQ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc1Nc1ncc(Cl)c(n1)NCCCCNC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQSWFPPPGAVQV-UHFFFAOYSA-N", "SMILES:CN1CCNc2nc(ncc2Cl)Nc2cc(ccc2F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWCLVYMLMCUNOE-UHFFFAOYSA-N", "SMILES:COc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALFTJSGERVZGL-UHFFFAOYSA-N", "SMILES:COc1ccc2cc1Nc1ncc(Cl)c(n1)NCCCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNZYSBRXMRLNBY-UHFFFAOYSA-N", "SMILES:COc1cc2cc(c1)C(=O)N(C)CCCNc1nc(ncc1C(F)(F)F)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZMNABWFUQBCZ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNLVNNVQZSYTDH-UHFFFAOYSA-N", "SMILES:COc1c(F)cc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRBGBRASZJQZMU-UHFFFAOYSA-N", "SMILES:COc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)N(C)CCCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEYAQJMOXXDARD-UHFFFAOYSA-N", "SMILES:COc1c(F)cc2cc1Nc1ncc(C(F)(F)F)c(n1)N(C)CCCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJBQKAUARZJFOD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQFQMFIEKMQHLL-UHFFFAOYSA-N", "SMILES:CN1CCCN(C)c2nc(ncc2C(F)(F)F)Nc2cc(ccc2OC2CC2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEQIZOKDBDESMA-UHFFFAOYSA-N", "SMILES:COc1cc2cc(c1)C(=O)N(C)CCCCNc1nc(ncc1Cl)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHEQQLKNUGMEJH-UHFFFAOYSA-N", "SMILES:COc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBWNTPWHUSPOGJ-UHFFFAOYSA-N", "SMILES:COc1c(F)cc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTCFGAGSIHOAM-UHFFFAOYSA-N", "SMILES:CN1CCCCNc2nc(ncc2C(F)(F)F)Nc2cc(ccc2OC(F)(F)F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4291564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBTCKGUVGWVHTB-ZPXGPAEQSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4ccccc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMHSDNZYGAWDRQ-PPLBCVRQSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)CCC)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBPZGVXMKRULGC-NAIAOIPJSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)CCCCC)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4293215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUQXFXIDHCTHOV-ZJQTUCFNSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)CCCCCCC)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGIMTFHISCLLBP-NAIAOIPJSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)C(CC)CC)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBVIHDLEUGJQM-PPLBCVRQSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)C4CC4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWTDDEHIRLOVSM-PPLBCVRQSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)CCCCl)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKPDKQSSXKEZEX-NAIAOIPJSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)CCCCCCl)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMHSMCBTMJCDMH-QRXRQMIZSA-N", "SMILES:C=CCCC(=O)O[C@@H]1CC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]2C1=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4279020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNOFRCRCDSTJG-OOBQHSNVSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)/C=C/C(=O)OCC)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAUAYJHHYXBYOG-ZPXGPAEQSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4ccc(F)cc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYPQZFDINKMWNF-ZPXGPAEQSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4ccc(C(F)(F)F)cc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQRIBDAAVCPHTR-MKUPNNEXSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)Cc4ccc5ccccc5c4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJBMOIBLCMSAGA-ZWBXUGMZSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4ccco4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVMQFEKTCMYFED-YTMVRGIBSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4cccs4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKIHKOPXMLITBO-NAIAOIPJSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4cccnc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQHFOEPGNLRJCN-GSZDEIQRSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4ccc(F)nc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAWYNYJWSDMZSQ-GSZDEIQRSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4ccc(Cl)nc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLPFXYQZBXKEL-GSZDEIQRSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4ccc(C(F)(F)F)nc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMZKVHBXIMOUBG-FFADREKWSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4c(Cl)ccnc4Cl)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDZRULTZUAEJNG-YGJLDZOPSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4cnc(Cl)cc4Cl)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDGBQLQGAPPEBE-GVOAOECXSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)c4cc(Cl)cnc4Cl)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUJADEXWNPDFAH-QIUHBLRGSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)/C=C/c4ccccc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDUMYPRXWDAXIV-WNJIRKFXSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)/C=C/C(=O)c4ccccc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYUYAYLJIIDXOM-AACZKLNFSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)/C=C/C(=O)c4ccc(F)cc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQJYIIUXAYJTO-AACZKLNFSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)/C=C/C(=O)c4ccc(C(F)(F)F)cc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJGFKSINZYZCML-HZNFXRPHSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)/C=C/C(=O)c4ccc(C)cc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYZCKAGADFMPY-HZNFXRPHSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)/C=C/C(=O)c4ccc(OC)cc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSVIPPTYDMCWFY-OOBQHSNVSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](NC(=O)/C=C/C(=O)OCC)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOIPOIKGAAAYDH-ZPXGPAEQSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](NC(=O)c4ccc(C(F)(F)F)cc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBRVKWWHBCGTHU-BTEPHSQGSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](NC(=O)/C=C/C(=O)c4ccccc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVOXUWYBJCYSGJ-BRINWPNMSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](NC(=O)/C=C/C(=O)c4ccc(F)cc4)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FITPGRAMKBZDKC-NDPMZMCLSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC(=O)C(=C)[C@@H]3C[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5566475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWVFNUPPKBKCMF-WPLOAARJSA-N", "SMILES:C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](N)C(=C)[C@@H]3C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL275748", "category": ["biolink:ChemicalEntity"], "name": "TULIPALINE A", "xref": ["InChIKey:GSLDEZOOOSBFGP-UHFFFAOYSA-N", "SMILES:C=C1CCOC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5566098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUYOZROTQMSUOP-PVEPTXAXSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCC(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"name": "Pyruvate carboxylase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL5725151"], "id": "UniProtKB:P11498", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBFRAJYMVFAMN-GAZKUNDRSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEORYJKLSGLSOZ-IVCIIHJFSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCC(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEXRHBKKPSUUGG-HMFYYSEISA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL450226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUHBKBTZUPLIIA-OTEDBJMHSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5570175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJNGUOMTGDSFP-KEXBORSJSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCNC(=O)OC(C)(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYIXRPPVYXYYOO-VLUGMDAFSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUGVIAWLXMBNE-JSZPORGESA-N", "SMILES:CC1(C)CC[C@]2(C(=O)NCCCOCCCCOCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLJXGFPUHVBIJ-JSZPORGESA-N", "SMILES:CC1(C)CC[C@]2(C(=O)NCCCOCCOCCOCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTBLIFFNTKWRDR-XHVVERBMSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)NCCCCCCOCCOCCOCCOCC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICBJWFTXWNOQHC-KKYABSAKSA-N", "SMILES:C[C@H]1[C@H](C)CC[C@]2(C(=O)NCCCCCCOCCOCCOCC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJGCXHMGIUJXDV-MNVNEMAWSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)NCCCCCCOCCOCCOCCOCCCCCC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTSMPPHAGTFEV-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1nc(-c2cc(F)c(O)c(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VREPVSZUWFUTDM-UHFFFAOYSA-N", "SMILES:CCN(C)CCN(CC)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLDLWYWYZLUVBY-UHFFFAOYSA-N", "SMILES:CCCN(C)CCN(CC)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEBOVKIPYRYJRZ-UHFFFAOYSA-N", "SMILES:CCN(CCN(C)C(C)C)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDVVBQKFXBYJN-UHFFFAOYSA-N", "SMILES:CCCCN(C)CCN(CC)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPGKJVUVSYHRD-UHFFFAOYSA-N", "SMILES:CCN(CCN(C)Cc1ccccc1)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLAGESZCCACVML-UHFFFAOYSA-N", "SMILES:CCN(CC)CCN(CC)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLJAOVDTIUUGK-UHFFFAOYSA-N", "SMILES:CCCN(CCC)CCN(CC)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLEHGHRDNWVZNC-UHFFFAOYSA-N", "SMILES:CCN(CCN(C(C)C)C(C)C)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLKQEHKLGARLP-UHFFFAOYSA-N", "SMILES:CCCCN(CCCC)CCN(CC)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBGYNWJEBWKULY-UHFFFAOYSA-N", "SMILES:CCN(CCN(Cc1ccccc1)Cc1ccccc1)C(=O)CNCc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYEHKJQZHIERMZ-UHFFFAOYSA-N", "SMILES:CCCCN(C)CCN(CC)C(=O)CNCc1cc(C(=O)OCC)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URXMHFIHJLUSPD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(C(=O)CN2CCOCC2)ccc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFJZEHYCSYWMOY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(C(=O)Cn2ccnc2)ccc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDHVATSCVGHHSX-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(C(=O)CN2CCNCC2)ccc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERQXBKALAJKHM-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(C(=O)CN2CCN(C)CC2)ccc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHQAJFNLPQULSV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3780793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SURHZKOLJXLQAU-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc(NC2CCCCCCC2)c(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJHBVMHOBZBWMX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4301351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSYSVXKJIVUNBR-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCN1CCNCC1)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3781002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMIXLUXHOVWMAU-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDVKLQGOCMJGQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)c1ccc(NC23CC4CC(CC(C4)C2)C3)c(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJJOJTVHORCBHJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1CNC1=Nc2ccccc2NC12CCNCC2"]}
{"name": "Acetyl-CoA acetyltransferase, cytosolic", "xref": ["CHEMBL.TARGET:CHEMBL2240"], "id": "UniProtKB:Q9BWD1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSVOREQCWCWHCQ-UHFFFAOYSA-N", "SMILES:Clc1ccccc1CNC1=Nc2ccccc2NC12CCNCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2094750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAFQFNOUYXZVPZ-UHFFFAOYSA-N", "SMILES:Clc1cccc(CNC2=Nc3ccccc3NC23CCNCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKIDVHKYMZGGQT-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC2=Nc3ccccc3NC23CCCCC3)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5569869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKTWZVYOQUBHT-UHFFFAOYSA-N", "SMILES:CC1CCC2(CC1)Nc1ccccc1N=C2NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRPMHXNXTALVMB-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1noc2cc(NC(=O)NCc3ccncc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMOBDJBSDBHYSB-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CO)cc1)Nc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPVYDYUTXRCKSL-UHFFFAOYSA-N", "SMILES:O=C1C=C2Cc3cc(O)c(O)cc3C(c3ccccc3O)=C2C=C1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUPXSDFSYLGUBW-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n(Cc2ccc(C(=O)NCc3cccnc3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWGKOCPENDNLZ-UHFFFAOYSA-N", "SMILES:N#Cc1ncc2cc(COc3ccc(C(=O)NCc4cccnc4)cc3)n(CCC3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL123446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHNBLWMBWXIKMR-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1cc2c(O)nc(C)nc2cc1Br)c1ccc(C(=O)NCc2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSFIMLHOVFSCHW-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc(CNc2ccc3cccn3c2)cc1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3105156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQPRVWTFNBUHA-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5434442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJRWRYBOCSUYIN-IWIXZVHYSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccc(NC(=S)NCc5cccnc5)cc4)CC3)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3672894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBWUYNSLISMPFY-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWHSWUSMBVLAB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Oc5cc(F)cc(F)c5)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAXFQVZWYNAADT-MRXNPFEDSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2c1)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULQMCGYQFTTSM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)n[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPQJWRJYHNIMAP-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c2ccc(N3CCN(C)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTRBNNDNLUUPNS-UHFFFAOYSA-N", "SMILES:COCCn1nc(Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c2ccc(N3CCN(C)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJIHOGXFBFSFKE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)nn(C4COC4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTVUUDFRSZJDQW-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)nn(CC4CNC4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DULLLGQQTOXGAQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)nn(C4CCOCC4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPGLIVKDBOIME-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)nn(CC4CCOCC4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWVQXBWVMHTDN-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)nn(C4CCNCC4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIICAUISBPJBV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)nn(CC4CCNCC4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRUHIQZQWAKUJD-UHFFFAOYSA-N", "SMILES:CN1CCC(Cn2nc(Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c3ccc(N4CCN(C)CC4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHCLTIGJRHHANB-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)c1ccc2c(Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)n[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQPZWFSNHZNAPK-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)n[nH]c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXWEOSTKWULLR-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(Nc4n[nH]c5cc(N6CCCCC6)ccc45)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOPPIGLLVXLFON-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(Nc4n[nH]c5cc(N6CCOCC6)ccc45)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAQCTQATNYYLMF-IYBDPMFKSA-N", "SMILES:C[C@@H]1CN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)n[nH]c3c2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZDRVJWAQWWWQQ-UHFFFAOYSA-N", "SMILES:CN1CC=C(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)n[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGYODWEACUOJX-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)n[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXTYUZWSCHXHO-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)n[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYQUIMFDELQJJR-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)ncnc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCJAAYKNZPCSOO-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(Nc4ncnc5cc(N6CCCCC6)ccc45)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSAYTPCMSHVVJN-UHFFFAOYSA-N", "SMILES:Fc1cc(F)cc(Cc2ccc3[nH]nc(Nc4ncnc5cc(N6CCOCC6)ccc45)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHPAGJKKGBMNRZ-CALCHBBNSA-N", "SMILES:C[C@@H]1CN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)ncnc3c2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJFBRVTUAWNZFO-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)ncnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXNWFJSUGHIFK-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)ncnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVCJTOPJIDUPH-UHFFFAOYSA-N", "SMILES:CCc1sc(C(C2=C(O)CC(C)(C)CC2=O)C2=C(O)CC(C)(C)CC2=O)cc1[N+](=O)[O-]"]}
{"name": "Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN", "xref": ["CHEMBL.TARGET:CHEMBL2146312"], "id": "UniProtKB:Q14191", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAGXCBDHHZLHU-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ccc(C(C3=C(O)CC(C)(C)CC3=O)C3=C(O)CC(C)(C)CC3=O)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1374426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXEWPGYLMHXLPS-UHFFFAOYSA-N", "SMILES:CCC(=O)OCN1C(=O)C=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STFRGUNEBBLSEO-UHFFFAOYSA-N", "SMILES:CCc1sc(C(C2=C(O)CCCC2=O)C2=C(O)CCCC2=O)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWKFTKPZPYRQTP-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(C2=C(O)CC(C)(C)CC2=O)C2=C(O)CC(C)(C)CC2=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSALMRQWZUZLKC-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRGMMXMYUKGPY-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(Br)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZIUVXBUPSUILG-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(I)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZGDCZIQMGHPDV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3cccnc3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWOQFNUNBGDNCV-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIYANPCLDSDSNU-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccccc3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYORCTXSIYFJHQ-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccc4ccccc4c3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGXDRENNRDNYPX-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(C(C4=C(O)CC(C)(C)CC4=O)C4=C(O)CC(C)(C)CC4=O)s3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWNGUNPNFOIMEM-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(Cc3ccccc3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFSXYMGSBNRNBW-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(CCc3ccccc3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGJINTCUXOYUOM-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)c2ccc(C(C3=C(O)CC(C)(C)CC3=O)C3=C(O)CC(C)(C)CC3=O)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAMSEANTRAHOSI-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccc(F)cc3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUBKERRDJUSDF-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATEAHQXGEFVDEE-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccc(Cl)cc3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGNYULCHIATLLR-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2ccc(C(C3=C(O)CC(C)(C)CC3=O)C3=C(O)CC(C)(C)CC3=O)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZZBERIZEYJXPE-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccc(C(C)(C)C)cc3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMLDZTWJKDPTLN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2ccc(C(C3=C(O)CC(C)(C)CC3=O)C3=C(O)CC(C)(C)CC3=O)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODFFPUDRJYVZNE-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccc(-c4ccccc4)cc3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJJMKFOVGXOAFA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(C3=C(O)CC(C)(C)CC3=O)C3=C(O)CC(C)(C)CC3=O)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIQYEABJOBHDEJ-UHFFFAOYSA-N", "SMILES:COCc1ccc(-c2ccc(C(C3=C(O)CC(C)(C)CC3=O)C3=C(O)CC(C)(C)CC3=O)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSABVLGXLWUZJP-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3cccc(F)c3)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNOFVWYAPBAEOD-UHFFFAOYSA-N", "SMILES:CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(-c3ccccc3F)s2)=C(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVDKKXPBMKVKGA-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2ccc(C(C3=C(O)CC(C)(C)CC3=O)C3=C(O)CC(C)(C)CC3=O)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHTMSWNQKCJGRN-UHFFFAOYSA-N", "SMILES:CCOc1cccc(-c2sc(C(C3=C(O)CC(C)(C)CC3=O)C3=C(O)CC(C)(C)CC3=O)cc2[N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKIBPXQINSGGJY-UHFFFAOYSA-N", "SMILES:CCn1ncc2cc3cnccc3c(N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAAFRMULEXNHGV-UHFFFAOYSA-N", "SMILES:Cl.Nc1cc2cc3ccncc3cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBMMSXCBDHJKHW-UHFFFAOYSA-N", "SMILES:c1cc2cc3cc[nH]c3cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXBHOGUUOJAZBN-UHFFFAOYSA-N", "SMILES:Brc1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMNJQOOMCYGQDB-UHFFFAOYSA-N", "SMILES:Ic1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQSQCPUSIIYGY-UHFFFAOYSA-N", "SMILES:Clc1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTDBRIWRJGOEOL-UHFFFAOYSA-N", "SMILES:O=Cc1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUJQPIQIMIZEKK-UHFFFAOYSA-N", "SMILES:OCc1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAJHBOYILMHFIY-UHFFFAOYSA-N", "SMILES:ON=Cc1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHSYUXJDTQLOMQ-UHFFFAOYSA-N", "SMILES:N#Cc1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNQQANYXDDGMFM-UHFFFAOYSA-N", "SMILES:NCc1c[nH]c2cc3cnccc3cc12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBEKWSWZNHGQAZ-UHFFFAOYSA-N", "SMILES:CNCc1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDOYZEXGTCZVFQ-UHFFFAOYSA-N", "SMILES:CCNCc1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHJRLOQBMXJCPE-UHFFFAOYSA-N", "SMILES:CN(C)Cc1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VABWABUWCNXALR-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSUXPXRNMWYLEU-UHFFFAOYSA-N", "SMILES:Cn1ccc2cc3ccncc3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPPUKWWXIZXHBA-UHFFFAOYSA-N", "SMILES:Cn1cc(I)c2cc3ccncc3cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVYZNTURNUEHAL-UHFFFAOYSA-N", "SMILES:c1ccc(-c2c[nH]c3cc4cnccc4cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIYULDPYGDCHT-UHFFFAOYSA-N", "SMILES:c1cc(-c2c[nH]c3cc4cnccc4cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOPXKSNPMMIAEQ-UHFFFAOYSA-N", "SMILES:c1cc2cc3c(-c4cncnc4)c[nH]c3cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTMXLVAVGBHUIE-UHFFFAOYSA-N", "SMILES:CC(=O)c1c[nH]c2cc3cnccc3cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUALMDIOHBZAKU-UHFFFAOYSA-N", "SMILES:Nc1nccc(-c2c[nH]c3cc4cnccc4cc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URTZWFXYHGBPQY-YRNVUSSQSA-N", "SMILES:O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(S(=O)(=O)Nc2ncc3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXGZVHWRSGICHD-YRNVUSSQSA-N", "SMILES:COc1cccc2sc(NS(=O)(=O)c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])s4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL561525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNGJXCJVMYVBAM-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHBSIOGJJYERC-YDPTYEFTSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWFOTIRQBYEIRV-GCSLNTQSSA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC6(CC6)C5)cn4c3=O)c2)C[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITOYFVXIFVKLPE-IZLXSDGUSA-N", "SMILES:CC(C)[C@H]1CN(C)CCN1Cc1cc(C(=O)Nc2cccc(C3([C@@H](F)c4nncn4C)CC(F)(F)C3)c2)nc(C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGHFGVHDRESMV-BFZJZIARSA-N", "SMILES:COCC1(NCc2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@]4(c5nncn5C)C[C@H](OC)C4)c2)C3=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBOJRGLZMSPLHD-UHFFFAOYSA-N", "SMILES:Cn1cnnc1-c1cc(C#N)ccc1-c1cc(C2CC2)nc(N2Cc3c(cc(CNCC4(F)CCC4)cc3C(F)(F)F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARSHIIOTLRGIA-VYFJIZOZSA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(N3C(=O)c4cc(CNC5(C)CCC5)cc5cccc3c45)c2)C[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBFKTPMUQKRAZ-HXUWFJFHSA-N", "SMILES:Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(NC(=O)N2CC3(CNC3)Oc3cccnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXOEGMBVWGSAQ-RXEHIIAQSA-N", "SMILES:C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3[nH]c(-c4cccc([C@]5(c6nncn6C)C[C@@H](C)C5)c4)nc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOWDNSPFZXUODG-KDOFPFPSSA-N", "SMILES:C[C@H](Cc1nncn1C)c1cccc(-c2n[nH]c3c(CN4CC[C@H](F)C4)cc(C(F)(F)F)nc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRDGJMSJUBUGNE-QRRSRKGFSA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(-c3cnc4c(C(F)(F)F)cc(CN5CC6CC(C)(C6)C5)cn4c3=O)c2)C[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQXWMYOQVQUSK-ZOXYEEGJSA-N", "SMILES:Cc1cc(CNC2(C)CCC2)cc2c(=O)c(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)coc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQJNVVBDDJGGGZ-LPYGGDLBSA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(NC(=O)c3cc(CN4CCC[C@H](C(F)F)C4)cn4ccnc34)c2)C[C@H](CC#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJSJKUVYLZNKV-FBTZJGKYSA-N", "SMILES:CC(c1cc(C(=O)Nc2cccc([C@]3(c4nncn4C)C[C@@H](CC#N)C3)c2)nc2cc[nH]c12)N1CCC[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELAPULINUMFDP-SMYIZNIWSA-N", "SMILES:CO[C@@]1(C(=O)N/C=C/c2ccc(O)cc2)O[C@](O)(C(=O)N/C=C/c2ccc(O)cc2)[C@@H](c2ccc(O)c(O)c2)[C@@H]1c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJMVQWRZNYQEJK-PHEFWILJSA-N", "SMILES:O=C(N/C=C/c1ccc(O)cc1)c1c(-c2ccc(O)c(O)c2)c(-c2ccc(O)c(O)c2)c(C(=O)N/C=C/c2ccc(O)cc2)n1CCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRGXDUCTNDYOPY-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCIRFHTVKMBSKG-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAXKOQUMRVTGBR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEROCJOWHAPWPL-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2ccsc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSLCIPDRVHMBMP-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc2c(c1)OCO2)c1cccc(Nc2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVCYDGRBIDFFRW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUNKLDIJQFAQR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc[nH]n1)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYLYVCQHMHLRKE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(c1)OCO2)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJENVQDBUFJYRZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SULYGUWBXPDHCT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2cccnc2c1)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLXSLLWMLOWKKP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc2ncccc12)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGZWKQMWVYAJK-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWAPBZIVOSZBQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2cccc(-c3ccncc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCYVUMXIKSUOBH-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)c2cccc(-c3ccncc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRRCGODGWSXOX-UHFFFAOYSA-N", "SMILES:O=C(NCc1cc(F)cc(F)c1)c1cccc(-c2ccncc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AONAJNHHHRKZDU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(-c2cccc(Br)c2)nc2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUKMSYYNNHEANR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Nc2nccc(Nc3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXHCHIKOQWHYOY-BCHFMIIMSA-N", "SMILES:CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGFLOUZTPCPXBJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)C(C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5573880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVFAELAGKYFPI-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCc1ccc2c(c1)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5569199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFVZSGOBJSJVLW-ACUGKTJTSA-N", "SMILES:COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1O[C@H]1CCN(C(=O)CCCCCCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAWIWPDHJXUCFC-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCc1c-2nc(N)c(C#N)c1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEDMOKXPKLNHRS-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCc1c-2nc(N)c(C#N)c1-c1ccc(OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJLJWOEHOSPKG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c3c([nH]c(=O)c2C#N)-c2ccc(OC)cc2CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRUCRPRPNFLHAZ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCc1c-2[nH]c(=O)c(C#N)c1-c1ccc(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUELADDMBCSFOL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CCc1c-2[nH]c(=O)c(C#N)c1-c1ccc(OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2023489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYPVGQBXTJNGFW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMVPQCMISKEAOV-UHFFFAOYSA-N", "SMILES:CCc1[nH]nc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)ccc34)cc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5220127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCEFDOQRCVCKFY-UHFFFAOYSA-N", "SMILES:CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cnc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIGVSWPLPNHKAT-UHFFFAOYSA-N", "SMILES:CN1c2ccc(F)cc2SC1C(=O)Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXUGJFWPQZBFCE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3ccc(OC)cc3nc2Nc2ccc(NC(=O)CN3CCN(C)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEPLIEFCMUVJPT-CIAFOILYSA-N", "SMILES:CCOc1ccc(/C=N/Nc2ccnc3ccc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPIRQUIIRCXQG-LPYMAVHISA-N", "SMILES:CCCOc1ccc(/C=N/Nc2ccnc3ccc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHRMODZKXOSNG-OEAKJJBVSA-N", "SMILES:CCCCOc1ccc(/C=N/Nc2ccnc3ccc(Br)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWXTZBYHXWVEV-OEAKJJBVSA-N", "SMILES:CCCCOc1ccc(/C=N/Nc2ccnc3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDCNFERBIYMCRT-SJORKVTESA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2CC[C@@H](O)[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBZMQSTYBBLDS-GTNSWQLSSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](CO)[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBZMQSTYBBLDS-PXBRQSFWSA-N", "SMILES:[2H]C([2H])([2H])N(C(=O)[C@@H]1[C@H](CO)CN1c1nc(C)cc(C(F)(F)F)c1C#N)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCKHJUFCSLTBKM-INIZCTEOSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2CCOC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAXHMTXEZSPIPM-HNNXBMFYSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)COC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPZNOSSXQYZFU-BVRBVLIYSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@H]3C[C@H]3[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNAMJEDDOQVMIZ-HNNXBMFYSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2CC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGWYVJYDZWLCLI-INIZCTEOSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2CC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDWLYOWUFWXRGM-AWEZNQCLSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(N2C(=O)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPEDESQBLSXLIZ-HNNXBMFYSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C(=O)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCVRNRYIINKDHH-CVEARBPZSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](O)[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKNVPHUMFWOME-CVEARBPZSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](F)[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPDBPBUUFQCOX-SGTLLEGYSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](CS(C)(=O)=O)[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWZUUTXFEHQPOR-XIKOKIGWSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](CC#N)[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGKTRHKTGUZDX-QAPCUYQASA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](C(C)(C)O)[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYJXYWLPEAMQJK-DIFFPNOSSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](CCl)[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCECSXRIPSTQIL-BUXKBTBVSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](CO)[C@H]2C(=O)N(c2ccc(F)c(Cl)c2)C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQUOYDUFPOAFBM-BUXKBTBVSA-N", "SMILES:Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](CO)[C@H]2C(=O)N2CCCc3c2ccc(F)c3Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCILMTHGPMCCMG-BUXKBTBVSA-N", "SMILES:CN(C(=O)[C@@H]1[C@H](CO)CN1c1nc(C2CC2)cc(C(F)(F)F)c1C#N)c1ccc(F)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDGNFDFXUBJGRV-YQCADYNBSA-N", "SMILES:[2H]C([2H])([2H])N(C(=O)[C@@H]1[C@H](O)[C@H](O)C(=O)N1c1cc(C(F)(F)F)cc(C)n1)c1cc(Cl)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHOSDXSKTKVDOB-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)cc(CC(=O)N(CC#Cc2ccc(N)nn2)c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQFLBKQVDDVYDL-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2c(C=O)c(-c3ccco3)n3c2-c2cc(OCC)c(OCC)cc2CC3)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZLFKKSHGUCZMK-SEBMTOOBSA-N", "SMILES:CCOc1cc2c(cc1OCC)-c1c(-c3ccc(F)cc3)c(/C=N/c3ccc(O)cc3)c(-c3ccccc3)n1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKUVQEPPKYUPPA-FJANEPOYSA-N", "SMILES:CCOc1cc2c(cc1OCC)-c1c(-c3ccc(Cl)cc3)c(/C=N/c3ccc(/N=C/c4c(-c5ccc(Cl)cc5)c5n(c4-c4ccccc4)CCc4cc(OC)c(OC)cc4-5)cc3)c(-c3ccccc3)n1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAHBXTXHOUMNTM-HIFRSBDPSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAHBXTXHOUMNTM-ZFWWWQNUSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCTRHKZXDDIGIB-HOCLYGCPSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALTWSAAWZMFXIC-ZFWWWQNUSA-N", "SMILES:CC(=O)N(C)c1ccc2c(c1)OC[C@H]1[C@H](CNC(=O)c3ccc(Cl)s3)OC(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEXWBDGYXWHFTJ-JSGCOSHPSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJHORNYPBOREP-WMZOPIPTSA-N", "SMILES:CS(=O)(=O)c1ccccc1-c1ccc2c(c1)OC[C@H]1[C@H](CNC(=O)c3ccc(Cl)s3)OC(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTOKUVHUHICRG-RDJZCZTQSA-N", "SMILES:NS(=O)(=O)c1ccccc1-c1ccc2c(c1)OC[C@H]1[C@H](CNC(=O)c3ccc(Cl)s3)OC(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFIIHRKNTSGIDF-KBPBESRZSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3SC[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWIJIDWSULQVIV-HOTGVXAUSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3CC[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFDBUDQIYACGH-GJZGRUSLSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3NC[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBRFFBPKXSNZPF-KWRBWASUSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3[S+]([O-])C[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQFNNCYEXJQVRK-KBPBESRZSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3S(=O)(=O)C[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPAVSOQILRUXCL-GJZGRUSLSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3SC[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JABFNUXAOLUVTP-IRXDYDNUSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3CC[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLODSBOGZDCFBJ-HOTGVXAUSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3NC[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3330487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPDJDDAINGUPH-GJZGRUSLSA-N", "SMILES:O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3S(=O)(=O)C[C@@H]12)c1ccc(Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSYLIKHWGXYCQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2N=C(NC(=O)c3ccc(C(=O)NCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)SC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNKGWXVUQLCMA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2N=C(NC(=O)c3ccc(C(=O)NCCCOCCCCOCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)SC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOHYTXKTLRHMU-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2N=C(NC(=O)c3ccc(C(=O)NCCCOCCOCCOCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)SC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLIHYQOSFMCKF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2N=C(NC(=O)c3ccc(C(=O)NCCCOCCOCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)SC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVSCNLDAKKIHSG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2N=C(NC(=O)c3ccc(C(=O)NCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)SC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YERWURGYRGUNGF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2N=C(NC(=O)c3ccc(C(=O)NCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)SC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMOKYFTVZVHRSA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZEXONCHEDFNRN-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC2N=C(NC(=O)c3ccc(C(=O)NCCCCCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)SC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNSFNXURLSDVRV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSGXCMDTJDCDK-UHFFFAOYSA-N", "SMILES:CC12CCC(O)CC1CCc1cnn(-c3ccccc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJGRZMDSHJDJX-IUGVILHESA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCNC(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKNJKIKPYBUZLM-FTMWVPAESA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCNC(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIVGQRVCIOFWER-LLIFGLRNSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2)C(C)(C)C)cc1"]}
{"name": "Oxygen-regulated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066318"], "id": "UniProtKB:P56715", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBUUIJNAUHKLAU-MPGHIAIKSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWEGTMZWWHKMGY-ZQIUZPCESA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCQNIVHLQSAIT-BXWFABGCSA-N", "SMILES:CC1(C)C[C@@H](C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)N(C(=O)c2cc3ccccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFBZMWJNUMOWIE-BXWFABGCSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC2(CC2)CN1C(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDWYYBALLQSFBO-XARGGIHNSA-N", "SMILES:O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUHFZJPQDLAZMY-UKSSEWCLSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4ccccc4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMLDJOHHULHJL-ZUFXTUFISA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4c(F)cccc4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZWTVDDZTUZSJ-IFSAWZKESA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4cc(F)ccc4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEINJOFNXASMAP-TXDMSJPOSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4ccc(F)cc4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJXRLNOWBGIJU-DUUCEYBISA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4cccc(F)c4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNSBAXPUIWITPW-ORECKGATSA-N", "SMILES:Cc1cccc2cc(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C4(C)C)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTPRNIHBQBONF-DQIRPTDVSA-N", "SMILES:COc1cccc2cc(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C4(C)C)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFPBDGWRYNWCMC-XEIWIBFFSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4cccc(C#N)c4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZORTOOWPIHTD-GDQDSAMQSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4cccc(C(F)(F)F)c4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIXWUAHZNHABEW-DUUCEYBISA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4cccc(Cl)c4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIFDPYHEFNZQJZ-XTNBKJMLSA-N", "SMILES:Cc1cccc2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C4(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALSEHZTSULPHM-CAUQANCSSA-N", "SMILES:CCc1cccc2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C4(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLQXXURQRNMPAP-DIXAESKUSA-N", "SMILES:CC(C)c1cccc2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C4(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMCHCIOQCFMLED-XAHGZOFNSA-N", "SMILES:COc1cccc2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C4(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQCRKPQRNZNQY-YVYGCQPASA-N", "SMILES:CC(C)Oc1cccc2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C4(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GENGUEDJBFWVHC-QCDGIRBSSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4c(C#N)cccc4[nH]3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEEKYKFKYQHQRS-ANMXJASRSA-N", "SMILES:CC(C)c1ccc(Cl)c2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C4(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRTUECBYTYJXHL-ANMXJASRSA-N", "SMILES:CC(C)c1ccc(F)c2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C4(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKOVQLJVSWDKKY-WOYTXXSLSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)C3CCCC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCSGBRMTNJRHW-QJXZXWJNSA-N", "SMILES:CC1CC(C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)C3(C)C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONXKYODPVUNQU-WOYTXXSLSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)C3(O)CCCCC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRLVEDPYCIICRM-JBJRXJHCSA-N", "SMILES:CC(C)(C)CC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJRYAEMINOCDAB-OIDVLUPKSA-N", "SMILES:CC(C)(C)CCC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCOQBGCXYYZNM-TXTPUJOMSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)CC3CCCCC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKMREDHFUJIQM-ZXIXUEFNSA-N", "SMILES:C[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKMREDHFUJIQM-CISPMOHPSA-N", "SMILES:C[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVJNARRBFLHNT-PBTBVBJRSA-N", "SMILES:CC1CCC(CC(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)C3(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOPHHHRXQTYBAJ-TXTPUJOMSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)Cc3ccccc3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYOFCUCYJBWCX-ZXIXUEFNSA-N", "SMILES:C[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYOFCUCYJBWCX-CISPMOHPSA-N", "SMILES:C[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDJMIBQFVRBBEQ-WUEZWNDSSA-N", "SMILES:Cc1cccc([C@@H](C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)C3(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKKYLCBFMSMRDZ-JBDAPHQKSA-N", "SMILES:CC(C)(C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)C2(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFAMVUEYKNAOA-JBDAPHQKSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)C3(c4ccccc4)CC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMUQNKRTLPRFGB-HVRBKMHZSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)C3(c4cccc(Cl)c4)CC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOUVVHAGIUSYCU-ZONLJJFTSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)C3(c4ccccc4)CCCC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCNNSJUTUGCRQP-DIXAESKUSA-N", "SMILES:CC(C)c1cccc2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)C4(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZTSIVGSXJLRDB-HVRBKMHZSA-N", "SMILES:CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)N(C(=O)C3(c4cccc(Cl)c4)CC3)C[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTRWJJQXRPKCSR-LMNJBCLMSA-N", "SMILES:O=C[C@H](C[C@@H]1CNCC1=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHNYAXAPRDORG-WKWYISCVSA-N", "SMILES:Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]3c4c(O)cc(O)cc4[C@H]2[C@@H]3c2ccc(O)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5590322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSRRDJERPUPIN-SBUREZEXSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)CCC(=O)Nc1ccc(C(=O)NO)cc1)C(=O)NCc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJYSSDDWSHRIN-UWJYYQICSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)CCCCCCC(=O)NO)C(=O)NCc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNMBTZKYHKSCNH-BTYIYWSLSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c1ccc(C(=O)NO)cc1)C(=O)NCc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHFFTMWSRYAROQ-SQJNWEJSSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c1ccc(/C=C/C(=O)NO)cc1)C(=O)NCc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEOLHYJJDQTHTQ-HJPURHCSSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c1c[nH]c2ccccc12)C(=O)NCc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNXFFBHGOBXQOO-PPHZAIPVSA-N", "SMILES:C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c1ccc(C(=O)Nc2ccccc2N)cc1)C(=O)NCc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVBHEDLDLJERFO-UHFFFAOYSA-N", "SMILES:CC(C)c1cnn2c3nc(nc12)N(CC1CNC1)CCCCCOc1cc(S(C)(=O)=O)ccc1CN3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSLBNYNQLLNSCR-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c3nc(nc21)N(CC1CNC1)CCCCCOc1cc(S(C)(=O)=O)ccc1CN3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2401849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMIYTBVVEXLKCW-CUXNAULPSA-N", "SMILES:CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)Cc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAMYYAITYKKUJP-BUHFOSPRSA-N", "SMILES:CCOC(=O)/C=C/C(=O)NCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJGWNQYQRRQVLA-BUHFOSPRSA-N", "SMILES:CCOC(=O)/C=C/C(=O)OCc1cn(CCC2CCN(CCOc3ccc(C(=O)c4c(-c5ccc(O)cc5)sc5cc(O)ccc45)cc3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDQUJSBWXJEQJF-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRTKWPWDSUNLHS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGLXQKWTLWCLCS-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc([N+](=O)O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOIAHLLBVIPQB-UHFFFAOYSA-O", "SMILES:O=C(NCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNGNEHIMAEKFO-UHFFFAOYSA-O", "SMILES:O=C(NCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc([N+](=O)O)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWQOBAWCOYCRNS-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1OCCNS(=O)(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MORRZWSYKJCXHP-ZFGGDYGUSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CC2(C#N)CC2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFTKAVIYFGOXSI-OAHLLOKOSA-N", "SMILES:CC[C@@H](C)c1cc2c(n(-c3ccc(=O)n(CC(=O)O)c3)c1=O)CN(C(=O)OCCOC)CC2"]}
{"name": "Kelch domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066380"], "id": "UniProtKB:Q9Y2U9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXTLEFIELKLQFQ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)[nH]c(=O)n3C2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZPZCHBIUQWGOP-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBZWQFDVYHSTPG-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(CC)c(=O)n3C2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHPJAOCNPLNSAS-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2COC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDRNHWMLIQJFMI-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3CCOC)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPLPWYOYHLQKBW-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(S(C)(=O)=O)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUOZKTNLWIJVCP-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C(C)=O)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOIBUWKJSYUCAN-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C(=O)C3CC3)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MASXRJRSXUSZHP-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(n2c(=O)n(C)c3cc(-c4cc(C(=O)NCc5c(C)cc(C)[nH]c5=O)c(C)c(N(CC)C5CCOCC5)c4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXWWPFQYESAKFN-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(CC3CC3)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPUJUTFZSIOTNW-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRWYHXPWOFRERE-UHFFFAOYSA-N", "SMILES:CCN1CCC(n2c(=O)n(C)c3cc(-c4cc(C(=O)NCc5c(C)cc(C)[nH]c5=O)c(C)c(N(CC)C5CCOCC5)c4)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUMDQNGXUWVPP-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(CC(F)F)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCPOPDNPSOIAQP-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(CC(F)(F)F)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UACKUMBOHHFPPY-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C3COC3)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWTIXTLJRRZADG-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(CC#N)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KONJWDAMPIYIIS-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CN(C(C)=O)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWVCHXJLGGJKI-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CN(C(=O)C3CC3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJAZKROXQQSZJZ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CN(C)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEAJXBWLBCIGGL-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CN(CC3CC3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXXVYKPOADUGTA-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CN(CC#N)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFCJLHKSVPUMBO-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CN(CC(F)F)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFSCGOMEUMHHGI-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C2CCOCC2)c(=O)n3C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XELMHMITWCBNPR-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C2CCN(C(=O)C4CC4)CC2)c(=O)n3C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZUXLFFTHNMBMK-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C2CCN(C4COC4)CC2)c(=O)n3C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBLFYEMBPDQUEJ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C2CCN(C)CC2)c(=O)n3C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJHBCSCSOZTFOJ-UHFFFAOYSA-N", "SMILES:CCN1CCC(n2c(=O)n(C)c3ccc(-c4cc(C(=O)NCc5c(C)cc(C)[nH]c5=O)c(C)c(N(CC)C5CCOCC5)c4)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWKQRTCMRNFGLX-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C2CN(C(=O)C4CC4)C2)c(=O)n3C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTEQDUIVJVDWDD-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C2CN(C4COC4)C2)c(=O)n3C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCWDSZVOAIIAOE-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C2CN(C)C2)c(=O)n3C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUCLYAXFVKBWMH-UHFFFAOYSA-N", "SMILES:CCN1CC(n2c(=O)n(C)c3ccc(-c4cc(C(=O)NCc5c(C)cc(C)[nH]c5=O)c(C)c(N(CC)C5CCOCC5)c4)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHHACSFBUNMSHW-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTCUISRNUXBXEK-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(CC2CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMKBPVNOJMQLBJ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(C2COC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRWCZVICVHVYML-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTVRILXJBFPBL-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQXNWLRFZBNRCV-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(C2COC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBHUQLXGKRAKL-UHFFFAOYSA-N", "SMILES:CCN(C(=O)C1CC1)c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEDPNEDLEDOSAH-UHFFFAOYSA-N", "SMILES:CCN(C)C1CCC(N(CC)c2cc(-c3ccc4c(c3)n(C)c(=O)n4C3CCN(C)CC3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNKOFUKCYAIVQR-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPKLXBZGHVZKOM-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C2COC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXVJIAIJNAFPES-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)CCOC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZXHFTMRTRONRF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(-c3ccccc3OC(F)(F)F)o2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWSHMHSUQBYPHD-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(-c3ccc(C(F)(F)F)cc3)o2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQFRQKBRNOZWJB-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(-c3cc(F)cc(F)c3)o2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLAJKRADGZRYJF-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(-c3ccc(F)cc3F)o2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPVRSUAPFXJAEE-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(-c3ccc(F)c(F)c3)o2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUCUCFBVPHLUFM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(-c3ccc(F)c(F)c3F)o2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPLMJGXMTYAPPZ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(-c3cc(F)c(F)c(F)c3)o2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4564389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTYQECCGLBHGS-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)C(c2ccco2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTCDOIQYOLWKA-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)C(c2ccc(-c3ccc(F)c(F)c3F)o2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTRDMJZHAMVOM-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(-c3ccccc3)o2)C2=C(CCCC2=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIGBAUGHSMLVHU-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccc4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXAXIBOIHOYQIP-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccc(F)cc4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYVDEHNBSMBGIA-UHFFFAOYSA-N", "SMILES:COc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN(C)C)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPJAYAFNNJNTEI-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccc(C(F)(F)F)cc4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYHHTDJEIRPNLX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN(C)C)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRPTSOBCUSTEJ-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccc4F)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHROQLIVKZDPFM-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4cccc(F)c4)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPYMAXDMYZERLG-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(S(=O)(=O)NCc4ccccc4)ccc(c23)C(=O)N1CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAUPWDXHWFNMY-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(S(=O)(=O)NCc4ccc(F)cc4)ccc(c23)C(=O)N1CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWSOUACLPZEPB-UHFFFAOYSA-N", "SMILES:COc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN2CCCC2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHBDELKAKRMOTD-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(S(=O)(=O)NCc4ccc(C(F)(F)F)cc4)ccc(c23)C(=O)N1CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYXHCHHSFGNEPA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN2CCCC2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMLXUQJUBHIJLW-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(S(=O)(=O)NCc4ccccc4)ccc(c23)C(=O)N1CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLVFOOOFNCDRMR-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(S(=O)(=O)NCc4ccc(F)cc4)ccc(c23)C(=O)N1CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOCIBMQSWHIQSI-UHFFFAOYSA-N", "SMILES:COc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN2CCCCC2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVHFIZXGYMBKBI-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(S(=O)(=O)NCc4ccc(C(F)(F)F)cc4)ccc(c23)C(=O)N1CCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZEVKRIFCLEKTO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(CCN2CCCCC2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYKSKDUFMCSNCC-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Sc4ccc([N+](=O)[O-])cc4)ccc(c23)C(=O)N1CCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVGLGVYQKLEKJY-BHBYDHKZSA-N", "SMILES:COc1ccc(-n2cc(COc3ccc4c(c3C(C)C)CC[C@H]3C(C)(C)CCC[C@]43C)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYNFWOVQEKLJGR-LITSAYRRSA-N", "SMILES:CC(C)c1c(OCc2cn(-c3cccc([N+](=O)[O-])c3)nn2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFRQPFXZWYBUAJ-LITSAYRRSA-N", "SMILES:CC(C)c1c(OCc2cn(-c3ccccc3)nn2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPQXHKWQOBVHOQ-BHBYDHKZSA-N", "SMILES:CC(C)c1c(OCc2cn(-c3ccc(C=O)cc3)nn2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVMHWFCHQLJLIH-OYCOXFKUSA-N", "SMILES:CC(C)c1c(OCc2cn(C3=CCC4C(=O)N(CCN(C)C)C(=O)c5cccc3c54)nn2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4284630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNORIFUMYDSPFG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccc(C(=O)O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRIXGEKRAGEGDH-BHBYDHKZSA-N", "SMILES:COc1ccc(-n2cc(COc3ccc4c(c3C(C)C)CC[C@H]3C(C)(C)CCC[C@]43C)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAUYYRSCTLBLQV-BHBYDHKZSA-N", "SMILES:COc1cccc(-n2cc(COc3ccc4c(c3C(C)C)CC[C@H]3C(C)(C)CCC[C@]43C)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNBOOMIDMZXFFV-WNCULLNHSA-N", "SMILES:CC(C)c1c(OCc2cn(-c3cccs3)nn2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYADRPZBJHEIGE-UYIXRDPMSA-N", "SMILES:CC(C)c1c(OCc2cn(/C=C/c3ccc(C(F)(F)F)cc3)nn2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMSDNWZOVHIYDR-UHFFFAOYSA-N", "SMILES:CN(C)CCN1C(=O)c2cccc3c2C(CC=C3n2cc(CO)nn2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWIQPUXVXAVFRM-KEBDBYFISA-N", "SMILES:CN(/N=C/c1ccccc1C(=O)O)c1nc(-c2ccccc2Cl)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKSNMSZXDJFKJK-QRZOAFCBSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPLXGIFPSVVANI-IHZYVTRVSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(N)=O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXLBHPMXYQBBPB-FAKIDUQNSA-N", "SMILES:CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZGYQOSGWYBLCJ-WIWHLVOUSA-N", "SMILES:CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(N)=O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(N)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPZVDYYBRSIHR-RBYBPXBMSA-N", "SMILES:CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTGRLWABLQOZAJ-FKOIQFEUSA-N", "SMILES:CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(N)=O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(N)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJXCSUPSNFXNE-QRZOAFCBSA-N", "SMILES:CC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSJODHSIOXDACR-FAKIDUQNSA-N", "SMILES:CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSEXNLXJKLEPFB-WIWHLVOUSA-N", "SMILES:CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(N)=O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(N)=O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUOMQHDKIRBXKT-KIKJBRBOSA-N", "SMILES:CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)O)C(N)=O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)O)C(N)=O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAERYJYXPRIDTO-HRHHVWJRSA-M", "SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL601428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMINRJZNGLAOL-UHFFFAOYSA-N", "SMILES:CCc1onc(-c2ccccc2)c1C(=O)N(C)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL612138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCPDKSLSUVEBG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2noc(C)c2C(=O)N(C)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL604131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAZOLTNDALKORT-UHFFFAOYSA-N", "SMILES:CCc1nnn(-c2ccccc2)c1C(=O)N(C)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2336238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCPRKHMINMQDBA-UHFFFAOYSA-N", "SMILES:COc1cccc(-n2nnc(C3CC3)c2C(=O)N(C)c2ccc(C#N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYKNXYHKYYVCZ-UHFFFAOYSA-N", "SMILES:CN(Cc1cnccc1-c1ccccc1F)C(C#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLHGVHZZTFWQAR-HKTKHSLASA-N", "SMILES:CO[C@H]1C[C@H]2[C@@H]([C@H](OC)C[C@@H]3C[C@H](O)CC[C@@]32C)[C@@H]2CC[C@H]([C@H](C)CCC(=O)N3CCCC3)[C@@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURKBKWBYCPAPK-WMDVUDLISA-N", "SMILES:CC(C)[C@@H](CO)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC=O)C[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL201515", "category": ["biolink:ChemicalEntity"], "name": "MASLINIC ACID", "xref": ["InChIKey:MDZKJHQSJHYOHJ-LLICELPBSA-N", "SMILES:CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5583932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSLGTDKVDKHMT-DCLFWYDYSA-N", "SMILES:Cc1cc(/C(C[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2C)=N\\O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMSWUKJAHJOBFF-WCDUZVAFSA-N", "SMILES:Cc1cc(/C(C[C@H](c2ccc(C3CCC(C(=O)NCCS(=O)(=O)O)CC3)cc2)c2ccccc2C)=N\\O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RALWKUCWJAFYEW-UHFFFAOYSA-N", "SMILES:CC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCOc2nccc(-c3ccccc3)c2C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCXIFWXNELEUQX-BVRKHOPBSA-N", "SMILES:COC(=O)NCc1cccc([C@H]2O[C@H](CC(=O)NCc3ccccc3F)C(=O)N(CC(C)(C)COC(C)=O)c3ccc(Cl)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQOOIHQLWXWJMD-UHFFFAOYSA-N", "SMILES:COc1cc(-n2c(N(C)c3ccc(OC)c(OC)c3)cnc2SCc2c(F)cc(OCCCS(=O)(=O)O)cc2F)ccc1F.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRJDVGKRZLSML-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1ccnnc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC3(COC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVDFCNFAJQPHQ-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1ccncc1-n1cncc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPXFKWPGOKMHF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(-c2cncn2-c2cnccc2-c2ccccc2Cl)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJOKBWLJZSVHKU-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccncc2-n2cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODWGXVJTYFMOGG-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccncc2-n2cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRKNFXXVMREEW-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccncc2-n2cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUXOBFAIWSPMZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2ccncc2-n2cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVTILOOTFJXNAJ-UHFFFAOYSA-N", "SMILES:Fc1cccc(OC2CC2)c1-c1ccncc1-n1cncc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4094487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJPFQTWSDPZOY-UHFFFAOYSA-N", "SMILES:COc1cc(-n2c(N(C)c3ccc(OC)c(OC)c3)cnc2SCc2c(F)cccc2F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALYZLPQDGGOSOV-UHFFFAOYSA-M", "SMILES:CN(CC[N+](C)(C)C)C(=O)CCc1cc(Cl)c(Oc2ccsc2C(=O)N2CCSc3ccccc32)cc1Cl.O=C([O-])C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGIAMLIJRJMPAA-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cl)c(Oc2ccccc2-c2cncn2-c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRDFVDBSYKPGQ-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cl)c(Oc2ccccc2-n2cncc2-c2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFRNAZBSDIYTIO-UHFFFAOYSA-N", "SMILES:O=C1N=C2C(C(=O)N=C3SC([N+](=O)[O-])=CN32)C(c2ccccc2C(F)(F)F)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4858734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJSYXNOFZQFOAN-FXPMUEKOSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O[C@H]5CC[C@H](O)[C@H](C)O5)C(=O)C[C@](C)(O)C[C@@]4(O)C=C3)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5572186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPDHBXBLKMCNKB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL479476", "category": ["biolink:ChemicalEntity"], "name": "KUSHENOL W", "xref": ["InChIKey:IPQQRODECSTJDH-UHFFFAOYSA-N", "SMILES:COc1cc(C2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL508977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHRNYHWGJUMPFJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL600185", "category": ["biolink:ChemicalEntity"], "name": "LICOFLAVONOL", "xref": ["InChIKey:TVMHBSODLWMMMV-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL463452", "category": ["biolink:ChemicalEntity"], "name": "GANCAONIN P", "xref": ["InChIKey:OCIIFJFJVOTFTN-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL478764", "category": ["biolink:ChemicalEntity"], "name": "MACARANGIN", "xref": ["InChIKey:MBIJQAHZUBUPNM-VIZOYTHASA-N", "SMILES:CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5575400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATFILGBMGSWTE-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2cccc3cccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1398345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOGNGTWIAHILF-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2cccc3c(N)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNFHOJUNEAHMPD-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVFHSGHHMAQVML-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2cccc3cc(Br)cc(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVOFFLNCBIWDCB-UHFFFAOYSA-N", "SMILES:CCN1C(=O)c2cccc3ccc(Br)c(c23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2234774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTXFSFCKLPHRPP-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRCOQNCXUGLNK-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLKFFEORXQCHEQ-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LASGDQKGIZZKIZ-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQVFHLTHDWEEJ-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYKHLISCNZILTP-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPWLPFVVXRQLV-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNQKRVLUTIEOIM-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJJCQDPJHXGXLO-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CC1Oc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKVWCRBNZPGRU-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRYHAQUIAMMICM-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFDIBXGPIKWEKA-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1ncco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLKJFCPLPJNHDV-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1ccon1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXZAKLGFIZADHY-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1cc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWDMWLKTIZIMDK-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1cn[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIQAPJWKCIXVQU-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1c[nH]cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEMDQCJEZXQTPF-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNVLUAKRGFPBL-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQKKSXJYPKDCX-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APFRVLGSTBFNFO-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEDDWBADVUZBEE-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1ncccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNCVJGSTVGZRRM-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILWDBIBOFLZZST-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANJSWECTMUHYQX-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOMLIEYUMWZAOI-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1ccc2ncccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXRLIUXRSNVANL-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3cccc(c23)C(=O)N1Cc1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYVLXBAKYZDHM-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMHCJXGKYDRSF-UHFFFAOYSA-N", "SMILES:Nc1ccc2c3c(cccc13)C(=O)N(Cc1cncnc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUELPSKLOVEPGT-LWYXPJSDSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNTNHKADFJEROT-RIKHGASRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LECNAIWUTNZTDK-RIKHGASRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CNC(=O)c2ccc(S(=O)(=O)F)cc2OC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCC(=O)N[C@@H](Cc1nn[nH]n1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBWOCNGGGPWUEP-HMTRHRDYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTTFLSYCBCBLRN-CNJIUDCTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYESEGVVSYUODA-NLWQLGPTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPFUYCSMEFMJBH-PQSQJIROSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHHJVNKDYPFKU-OIRUIDJBSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFVZPAFFLPZXCA-HGVFRQSVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1COC/C=C\\CCC[C@@](C)(C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUHKDBNPZOUKS-ZLXVWOQKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCn2cc(nn2)CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOJQTNWRQLIAV-VSRYNRNNSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@]1(C)CCC/C=C\\CCC[C@](C)(NC(=O)[C@@H](NC(=O)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)NC(C)=O)[C@@H](C)CC)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BACFFCBYCPCVFH-XCGNDVGGSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8040", "category": ["biolink:ChemicalEntity"], "name": "8-AMINOGUANINE", "xref": ["InChIKey:WYDKPTZGVLTYPG-UHFFFAOYSA-N", "SMILES:Nc1nc2[nH]c(N)nc2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2021376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXPTCITVCRFRK-UMMCILCDSA-N", "SMILES:Nc1nc(O)c2nc(N)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYAUCALSJXKRMX-LGQZHXCCSA-N", "SMILES:Nc1nc2c(c(=O)[nH]1)N=CC2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYSABYNMGSCZDR-UDUKESQJSA-N", "SMILES:O=c1[nH]cnc2c1N=CC2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSPZVWVYYJRBSI-UHFFFAOYSA-N", "SMILES:Cc1nc(-n2cnc3c2C(=O)C=CC3=O)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKZNZWWFNPHODR-UHFFFAOYSA-N", "SMILES:Nc1ccncc1-c1cc[nH]c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232777", "category": ["biolink:ChemicalEntity"], "name": "FORMYCIN B", "xref": ["InChIKey:MTCJZZBQNCXKAP-KSYZLYKTSA-N", "SMILES:O=c1[nH]cnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n[nH]c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5570904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLEQZFNPYUWNNU-ZDJGSJTNSA-N", "SMILES:NC1=Nc2c(nc(N)[nH]c2=O)C1[C@@H]1O[C@H](CI)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKZSTHOYNWEEZ-YHIMXLELSA-N", "SMILES:N=C(N)c1ncn([C@@H]2OC(CO)[C@@H](O)[C@H]2O)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL310364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CULKYGOMWFATON-UHFFFAOYSA-N", "SMILES:Nc1nc2c(Cc3cccc(Cl)c3)c[nH]c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL81966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJAUASVSBLUQKK-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2[nH]cc(Cc3ccccc3Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL160043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPGRDMKNFHMAJ-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2[nH]cc(Cc3ccc(Cl)c(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL285627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HANOSGYMKMNFON-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2nc(N)n(Cc3cccs3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URZYVCKOBOLXIL-UHFFFAOYSA-N", "SMILES:Nc1nc2c([nH]1)c(=O)ncn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJWQAQNEDXCVDP-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)c2[nH]cnc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGFACQXIXFUTLJ-UHFFFAOYSA-N", "SMILES:Nc1nc2c([nH]1)c(=O)nc(N)n2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEMSKSDTIXCPHB-YHYXMXQVSA-N", "SMILES:Nc1nc(O)c2ncn(Cc3ccccc3/C=C(/F)P(=O)(O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1161035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRQHLFRDYLIVLG-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2ncn(Cc3ccccc3C(F)C(F)(F)P(=O)(O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL236711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUWQMLDMMGTQER-UHFFFAOYSA-N", "SMILES:Nc1nc2c(CCCCCC(F)(F)P(=O)(O)O)c[nH]c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZPIWIBVBURNIV-BBWFWOEESA-N", "SMILES:O=C(OC[C@H]1O[C@@H](OP(=O)(O)O)C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLRJJODRZUIPD-YVMONPNESA-N", "SMILES:O=C1NC(=S)/C(=C/c2cccc(Br)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUJBKQHRPGIFN-YVMONPNESA-N", "SMILES:O=C1NC(=S)/C(=C/c2ccc(O)cc2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL64909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLBEEVCUZFKRL-UHFFFAOYSA-N", "SMILES:Nc1[nH]c(=O)[nH]c(=O)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL236708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JANQQPWTLXUSCD-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2ncn(CCCCC(F)(F)P(=O)(O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNIMYYSKDBUOIP-RKDXNWHRSA-N", "SMILES:O=c1[nH]cnc2c1ncn2C[C@@H]1COCC[C@@H]1CC(F)(F)P(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL7193", "category": ["biolink:ChemicalEntity"], "name": "ACYCLOVIR DIPHOSPHATE", "xref": ["InChIKey:STXXGSWOWSSPRV-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2ncn(COCCOP(=O)(O)OP(=O)(O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IANVADXKYSDKCZ-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2ncn(CCCCCP(=O)(O)CP(=O)(O)O)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL326595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NARPDSYSVOSIAJ-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2ncn(Cc3cccc(COCP(=O)(O)O)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL117417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOFBSKVVLYSISQ-UHFFFAOYSA-N", "SMILES:Nc1nc(O)c2ncn(Cc3cccc(CSCP(=O)(O)O)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBIDJCVAURJXFG-PVEDRDFWSA-N", "SMILES:Nc1nc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c2c(=O)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL475750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSPTUGDLYPMLCQ-SFYZADRCSA-N", "SMILES:Nc1nc2c(CN3C[C@H](CO)[C@@H](O)C3)c[nH]c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL475537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGYSFECPLYEOMH-HTQZYQBOSA-N", "SMILES:O=c1[nH]cnc2c(CN[C@H](CO)[C@H](O)CO)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL516050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOKSFCVRRRIUIY-RNFRBKRXSA-N", "SMILES:Nc1nc2c(CN[C@H](CO)[C@H](O)CO)c[nH]c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL505564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGATXRRSBPFSBK-UHFFFAOYSA-N", "SMILES:O=c1[nH]cnc2c(CNC(CO)CO)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL474122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODSSPGZQDUORCO-UHFFFAOYSA-N", "SMILES:Nc1nc2c(CNC(CO)CO)c[nH]c2c(=O)[nH]1"]}
{"name": "Purine nucleoside phosphorylase", "xref": ["CHEMBL.TARGET:CHEMBL4523389"], "id": "UniProtKB:Q8I3X4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"name": "Uridine phosphorylase 1", "xref": ["CHEMBL.TARGET:CHEMBL4811"], "id": "UniProtKB:Q16831", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDKLRZBNZNIKG-WEVVVXLNSA-N", "SMILES:Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(O)c(O)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBNDRPRPWRMJU-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cc(-c3ccco3)no2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMYCZNNJYIUQDT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Oc1ccc(=O)n(CN2C(=O)c3ccccc3C2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQLBZXGRYLNZNG-UHFFFAOYSA-N", "SMILES:CCCn1nc(Oc2ccccc2C)ccc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPGOVRVZJPRHSS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2ccc(=O)n(Cc3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGUJZHWNPUANRR-WWFYLNGCSA-N", "SMILES:CCCc1ccc([C@@H]2N[C@H](C(=O)OC)CC3c4ccccc4NC32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUYOYWQFYPCIIQ-WOJBJXKFSA-N", "SMILES:CCCc1ccc([C@H]2N[C@@H](C(=O)OC)Cc3c2[nH]c2ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEEVAEJHPKFYMA-MSOLQXFVSA-N", "SMILES:COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C)cc2)N1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1236043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUWSLQOIGKYPEZ-YPXRAQKDSA-N", "SMILES:CC(C)[C@H](NC(=O)N[C@H](C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O)C(C)C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1236118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIMDTYKFJMYVNG-NGGLIGEOSA-N", "SMILES:CC(C)[C@H](NC(=O)N[C@H](C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](C(C)C)NC1=O)C(C)C)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5571946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQPQQLGKVAUSQ-LFDXBBTBSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3629678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYSFEQWDNFNBI-AXYLIBAESA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMPMBSZKERPZRX-UUDUCULLSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccccc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSQOBTZHYEUSW-NAJFOXDESA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc([N+](=O)[O-])cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLUVWHWXURJLOT-NPEUYAIASA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(C#N)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQHYRORQTRJKBU-MCYIQBIQSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(OC)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMWAPAOOUQKFBV-CKWFMCAISA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(C(N)=O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZHDBPPZFPCNF-CKWFMCAISA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(N)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRJGJJHXIJDUDK-IFQSKSCASA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(NC)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCGSLUHPRFVNGO-XTGJAHIBSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(N(C)C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQZVRBYKPXBIFC-NAJFOXDESA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCTIXJZLSMFSLO-CKWFMCAISA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(B(O)O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGRATUXAJDROPA-NPEUYAIASA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(CN)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWPUOKEOUWFJH-GBVLCTBFSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(CN(C)C)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYNYLZXTVZWII-NPEUYAIASA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(CC(=N)N)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWRMFNBMGCPGRS-CKWFMCAISA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(NC(=N)N)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAXFUYOYJUYHW-KPNXAKPJSA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](CC(=O)O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWMRLJZAYIUSAF-CKWFMCAISA-N", "SMILES:CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2ccc(C(=O)O)cc2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL563939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAURYGOYSLZFPX-OOCKOLEWSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(CO)=C\\CC[C@@]1(C)O[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5569007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIWRZNCHAHTBHY-SUDHRMLCSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)NCC)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBUSEYKWTYKRN-FKUVIKGSSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)NCCC)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNJJZAFVTOLVHF-SUDHRMLCSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)N(C)C)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIDYBAAWRBNFSZ-UFDXLCEHSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)N(CCC)CCC)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWAZOFDUWRIPSP-LAABLSLUSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)N1CCCC1)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCNWGCGTYZBQKY-MJSKVDLXSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)N1CCN(C)CC1)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWORSLREFZKKCO-OOCKOLEWSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(F)(F)F)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGONLUYNPHHICY-RBUXLWMHSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNNNDEMEEPOOTG-RBUXLWMHSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(CNS(=O)(=O)c1ccc(F)cc1)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXOCJYRNJSIVKM-BJGXBIFVSA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(CNS(=O)(=O)c1ccc(OC)cc1)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIKCMTXWYIHNIJ-IXFMJWMISA-N", "SMILES:C=C1C(=O)O[C@H]2[C@H]1CC/C(CNS(=O)(=O)c1ccccc1)=C\\CC[C@@]1(C)O[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRALIHQUJDGYBT-UHFFFAOYSA-N", "SMILES:Nc1cccc(S(=O)(=O)N2CCCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUHDXJNGUULLFM-XOMWOZFHSA-N", "SMILES:C=C(CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCC(=O)O[C@]1(CC)COCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSYIVBMUXNVWOL-HUESYALOSA-N", "SMILES:CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC[C@@]3(CC)OC(=O)CNC(=O)CCCCCCCCCCCCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL241190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZFXSWMDFBRGS-UXONFWTHSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5574602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOJXGKRQWLHGA-JTQLQIEISA-N", "SMILES:COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEKVFXLMRCXTNF-ZDUSSCGKSA-N", "SMILES:O=C(N[C@H](CO)Cc1ccc(O)c(O)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUUOWQPTZNERI-NSHDSACASA-N", "SMILES:O=C(N[C@H](CO)Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5573804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINGMZKTTYWEJU-JTQLQIEISA-N", "SMILES:O=C(N[C@H](CO)Cc1ccc(O)c(O)c1)c1cccc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWUBNEKCPSXVSR-JTQLQIEISA-N", "SMILES:O=C(N[C@H](CO)Cc1ccc(O)c(O)c1)c1cc(O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDMYHKISFMGDJW-JTQLQIEISA-N", "SMILES:O=C(N[C@H](CO)Cc1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFKZXLUOQVDFC-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(O)cc1)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZULXEMRJVYJIM-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDWSZGUSAXZLNR-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccc(O)c1O)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWLLNVVNQNJAIV-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(O)ccc1O)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VURDQUHRSPBOPN-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(O)c(O)c(O)c1)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL402495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OICMBMJTQCLGNP-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccccc1)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL68132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSMGGLPUXCKRGT-ZZXKWVIFSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQHOJPPQHEXHC-UHFFFAOYSA-N", "SMILES:Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(Nc2ncnc3[nH]c4ccccc4c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXWXCPVZZIJMW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]c5ccccc5c34)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDVJWMWXFSAGW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)[nH]c2ncnc(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)on5)cc4)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSVQKCPNBUWEOG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3c(c2)[nH]c2ncnc(Nc4ccc(CC(=O)Nc5cc(C(C)(C)C)nn5C)cc4)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVFKKTSNGUMJAX-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(c(-c3ccccc3)c1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOPLFCMZXKXCSS-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(c(-c3cnn(C)c3)c1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJKVKCUGDHGGQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(c(-c3cccnc3)c1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXMJCPJGXOKDLZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cnn(C)c1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCDIFUIKPVRSE-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1ccccc1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZZHVYRXYPYUSK-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cccnc1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQWSNHJCGVCTQF-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2cc(-c3cnn(C)c3)c(NS(=O)(=O)c3ccccc3Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBIKVVDURUWVJW-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2cc(-c3cnn(C)c3)c(NS(=O)(=O)c3ccccc3F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTCGZHIXHIDFCS-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(cc1-c1cnn(C)c1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJAMUZCVAFWKV-UHFFFAOYSA-N", "SMILES:CC(C)=C1C(=O)Nc2cc(-c3cnn(C)c3)c(NS(=O)(=O)C3CCCCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CASVHGVXYJLWHR-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cn[nH]c1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCSETNICPMAGS-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cnn(C(C)C)c1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHYHSPWSEMRJCU-UHFFFAOYSA-N", "SMILES:CCOC(C)n1cc(-c2cc3c(cc2NS(=O)(=O)c2ccccc2OC)C(=C(C)C)C(=O)N3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDICLWMUTIQMIP-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cnn(Cc3ccccc3)c1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNATYJQIOXZQKE-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cn(C)nc1C)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZIRSGGJVNDOV-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1c(C)nn(C)c1C)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPNVCLHAUOIPEW-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1ccnn1C)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCGOKZJNEVGPIG-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1ccoc1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEYWMXMCGVSPIM-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1ccco1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRBIOHLKNDTNU-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1ccc(C)o1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJSISHSALKNYIK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3c(cc2NS(=O)(=O)c2ccccc2OC)C(=C(C)C)C(=O)N3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NACJPVGZVWUUSI-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cncnc1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFBKHXFJOOOZKK-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cnc(N)nc1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOZIQLIXIRVFLG-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1N1CCN(C)CC1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSVMJAYJDNCLC-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1N1CCOCC1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWJLNJLWDMQBX-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1NC(=O)C1CC1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZMKGRRJLHDWQL-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1NC(=O)N1CCN(C)CC1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGJQSIUOWLROS-UHFFFAOYSA-N", "SMILES:COc1ccccc1S(=O)(=O)Nc1cc2c(cc1NC(=O)N1CCOCC1)NC(=O)C2=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJPOHYYJMYMJFR-MQDBWYGVSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c2ccc(OS(=O)(=O)F)cc2)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNPYQNTEJGLFL-LQWITFIISA-N", "SMILES:COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCc2ccc(C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)cc2)ccc1OS(=O)(=O)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCXAAPYQWCWZMP-MQDBWYGVSA-N", "SMILES:N#Cc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCc2ccc(C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)cc2)ccc1OS(=O)(=O)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRBMUBCKQSVJIP-LQWITFIISA-N", "SMILES:O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c2cncc(OS(=O)(=O)F)c2)cc1)C(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUJPSLMNNBMNDC-SZMVHAFZSA-N", "SMILES:O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(/C=N/N3CCCCC3)nc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMLWIYKFAONNAW-HGFPGGDJSA-N", "SMILES:CC(C)N/N=C/c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGFCBWTXBVXREP-TVSCDJBNSA-N", "SMILES:O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(/C=N/N3CCOCC3)nc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515155", "category": ["biolink:ChemicalEntity"], "name": "ISOINDIGO", "xref": ["InChIKey:MLCPSWPIYHDOKG-BUHFOSPRSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1\\C(=O)Nc2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5589829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTGBBIBBCVCOK-ANVLNOONSA-N", "SMILES:CN1C(=O)/C(=C2/C(=O)N(CCN3CCCC3)c3ccccc32)c2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXLDJPBCISCRLG-QURGRASLSA-N", "SMILES:O=C(O)CCCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDIUJKDOGTWHTG-GHVJWSGMSA-N", "SMILES:COc1ccc2c(c1)/C(=C1\\C(=O)Nc3ccccc31)C(=O)N2CCCCCCCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEYYQKHQJAPQEZ-CMBBICFISA-N", "SMILES:CN1C(=O)/C(=C2/C(=O)N(CCN)c3ccccc32)c2cc(Br)ccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTVSPZZCFUBMMC-ZAGWXBKKSA-N", "SMILES:CN1C(=O)/C(=C2/C(=O)N(CCCN)c3ccc(Br)cc32)c2ccccc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJIMWCDDVFMLO-CCEZHUSRSA-N", "SMILES:CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZJPOMCWIHYFA-CCEZHUSRSA-N", "SMILES:CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWNPLVSLPKLSA-FOCLMDBBSA-N", "SMILES:COc1ccc2c(c1)/C(=C1\\C(=O)Nc3ccccc31)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILVVIUWTYBAUAK-CCEZHUSRSA-N", "SMILES:CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANDJITUXCAWWNV-CCEZHUSRSA-N", "SMILES:CN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBQQDYYZTBZPGF-FOCLMDBBSA-N", "SMILES:COc1ccc2c(c1)/C(=C1\\C(=O)N(C)c3ccccc31)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBPBPQLZXUUDQE-FOCLMDBBSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1\\C(=O)N(CCBr)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMELVTRADWSEQO-QZQOTICOSA-N", "SMILES:CN1CCN(CCN2C(=O)/C(=C3/C(=O)Nc4ccccc43)c3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFDRQOFAFYCPJ-FMQUCBEESA-N", "SMILES:O=C1Nc2ccccc2/C1=C1\\C(=O)N(CCN2CCOCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIZYPMURYGSWEC-FMQUCBEESA-N", "SMILES:O=C(O)CCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLPJPMSXVZZRRT-QURGRASLSA-N", "SMILES:O=C(O)CCCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQORPPGXHJZAI-WCWDXBQESA-N", "SMILES:O=C(O)CCCCCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAEHAIVKXHAVHL-OCEACIFDSA-N", "SMILES:O=C(O)CCCCCCCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZBJPIZZHEWGA-FMQUCBEESA-N", "SMILES:CN1C(=O)/C(=C2/C(=O)N(CCNC(=O)OC(C)(C)C)c3ccccc32)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDSKWBHMWNEGY-WCWDXBQESA-N", "SMILES:O=C(O)CCCCCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2cc(Br)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODGOWGDTCXMALU-QURGRASLSA-N", "SMILES:O=C(O)CCCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHKMXHNXRVBQMD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(-c3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPIBKJPBAMBOKS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1)c1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOJUKWQYMEGRI-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAPHRHGERYOJMB-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHVVFIFCPJCMPE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(-c3cn(-c4cccc(Br)c4)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPXKPKNTYFPUSO-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTHCHBOQUNYPKK-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc(NC(=O)c4cc(Br)cc(OC)c4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNKDWAJUWJGRHC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cn(-c3ccc(F)cc3)nn2)cc1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZXBZEJBIMKRNT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cn(-c3ccc(F)cc3)nn2)cc1)c1cc(Br)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFTBQKSVIUBLFP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cn(-c4ccc(F)cc4)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUYGHTMCSOUVMD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cn(-c3cc(Br)ccc3F)nn2)cc1)c1cc(Br)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYQVCFYLJICIY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cn(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDYWWTVDYVAPRY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cn(-c4cc(Cl)cc(Cl)c4)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPPKZRSYGRACSR-UHFFFAOYSA-N", "SMILES:COc1cc(Br)cc(-n2cc(-c3ccc(NC(=O)c4ccc(NC(C)=O)cc4)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHZUDYDRFWARHU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cn(-c3ccc(Br)nc3)nn2)cc1)c1cc(Br)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLBKPTZQTRTVDJ-UHFFFAOYSA-N", "SMILES:Cc1csc(C(=O)Nc2ccc(-c3cn(-c4ccc(F)cc4)nn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFXRVFCMWBETBH-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc(NC(=O)c4cc(C)cs4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHPCXKXFHGBGQC-UHFFFAOYSA-N", "SMILES:Cc1csc(C(=O)Nc2ccc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAXYHYUGYBUDBS-UHFFFAOYSA-N", "SMILES:Cc1csc(C(=O)Nc2ccc(-c3cn(-c4ccc(C=O)cc4)nn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEHURNJJTFQJHF-UHFFFAOYSA-N", "SMILES:Cc1csc(C(=O)Nc2ccc(-c3cn(-c4ccc(C#N)cc4)nn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QATYLQOSPRWPHZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc(NC(=O)c4cc(Cl)cc(OC)c4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORMRSXLKXKHNFU-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cc(-c3ccc(NC(=O)c4cc(F)cc(OC)c4)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPEMUAXQTYXBMH-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(C(=O)Nc2ccc(-c3cn(-c4cc(Br)ccc4F)nn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YARDAWYOOUTTJF-UHFFFAOYSA-N", "SMILES:COc1cc([N+](=O)[O-])ccc1-n1cc(-c2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPMRLYDWWFCHC-UHFFFAOYSA-N", "SMILES:COc1ccc(C2COc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWYWYDSUSFLEN-UHFFFAOYSA-N", "SMILES:COc1ccc(C2COc3cc(OCc4ccc(C(C)C)cc4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNPMBRVHVZNARZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C2COc3cc(OCc4c(C)cc(C)cc4C)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCSDYVWPXAAOT-UHFFFAOYSA-N", "SMILES:COc1ccc(C2COc3cc(OCc4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNHKCIKIBDPJGT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(OCc4ccc(C#N)cc4)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMJWASOKXZNAGI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(OCc4ccccc4)ccc3c2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5567437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVKSGFRMUDTPCS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(OCc4csc(C)n4)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOIUZWRAUPGZAU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2coc3cc(OCc4cnc(C)s4)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXZPQXGAGQJAAT-WGOQTCKBSA-N", "SMILES:CCOc1ccc2c(c1)O/C(=C/c1cccc(OCc3ccc(C(C)(C)C)cc3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWIARCMHYJAIRR-CVKSISIWSA-N", "SMILES:CCOc1ccc2c(c1)O/C(=C/c1cccc(OCc3ccc(C(C)C)cc3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZUWEOHEAVVMPQ-YDZHTSKRSA-N", "SMILES:CCOc1ccc2c(c1)O/C(=C/c1cccc(OCc3ccc(C(F)(F)F)cc3)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZOWZDKPJYVPKT-VULFUBBASA-N", "SMILES:CCOc1ccc2c(c1)O/C(=C/c1cccc(OCc3c(C)cc(C)cc3C)c1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMSATYAWQAHYGX-YDZHTSKRSA-N", "SMILES:CCOc1cccc(/C=C2/Oc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYQRINZOVFQJHI-WGOQTCKBSA-N", "SMILES:CCOc1cccc(/C=C2/Oc3cc(OCc4ccc(C(C)(C)C)cc4)ccc3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOWUOSHNILCZNQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(NCc4ccc(C(=O)Nc5ccccc5N)cc4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL357268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCQCEODMVDIJR-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRZNWLVLJZWYEQ-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2cc(F)ccc2C(=O)NCCc2c[nH]c3c(F)ccc(F)c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGURIMDAOVIPCF-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cncn2-c2ccccc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSRSWEFWXVBSOA-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1cncc1-c1cc(C(C)C)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIGKMXGJJEDJY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cncc2-c2cc(C(C)C)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLCDHTWEAIXCCB-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cncc2-c2cc(C(C)C)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVATYEBFUYGBFC-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cncc2-c2cc(C(C)C)c(O)cc2O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCWCJQJNXDWRRC-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cncn2Cc2ccccc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLUWDDOVUWIEF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-n2cncc2-c2cc(C(C)C)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDIRNSZONAJFHR-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cncn2-c2ccc(Cl)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEXJRVZAOZAYCB-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cncn2-c2ccc(F)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJAJASZGTSVZRW-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cncn2-c2ccc(C(F)(F)F)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AICMSLWSTQWKFP-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-n2cncc2-c2cc(C(C)C)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIIWOMODNECDD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cncc2-c2cc(C(C)C)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPGVQOBZGZIRG-UHFFFAOYSA-N", "SMILES:COc1ccc(CCn2cncc2-c2cc(C(C)C)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDVWSEQXFMRSLI-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cncn2C2CC2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFXAJVZSXQBYFE-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cncn2C2CCCCC2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSCYSIFAQMCONA-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cncc2-c2cc(CC3CCCCC3)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MELRMVMSSPWTLW-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cncc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRCJKRBQSSOGRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cncc2-c2cc(Cc3ccccc3)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSXJVCCBPAJCN-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cncc2-c2cc(CC3CC3)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEQWKPJYNXADSZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cncc2-c2cc(CC3CCC3)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQYDSTIXHUNAGF-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2cncc2-c2cc(CC3CCCC3)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPVNCFMPQPJVDL-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cncn2-c2ccc(C(=O)NCc3ccccc3)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUHPKLCTTRAGJD-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2cncn2-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYHRZIQZKYOZPD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2snnc2-c2cc(C(C)C)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCKCVMKASHLWDW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2snnc2-c2cc(C(C)C)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJXCSVWOWDOAL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2snnc2-c2cc(CC3CCC3)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLTLTDFQWVSVGI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2snnc2-c2cc(CC3CCCC3)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQYVBGAKQAGGG-DEOSSOPVSA-N", "SMILES:CSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDQJDGGJXZVIP-VWLOTQADSA-N", "SMILES:CSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDCNCMTQDAKJM-VWLOTQADSA-N", "SMILES:CCc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRKMHYXVVJZDS-DEOSSOPVSA-N", "SMILES:COc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBREMRJSLRAPT-VWLOTQADSA-N", "SMILES:CN(C)c1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLMHKAJVSLQYJG-QHCPKHFHSA-N", "SMILES:Fc1cc(Cl)ccc1COc1cccc(C2CCN(Cc3nc4cc(-c5nnc(C(F)(F)F)[nH]5)ccc4n3C[C@@H]3CCO3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXHGCZANSJQILZ-VWLOTQADSA-N", "SMILES:CCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BANZDIKEGIYISS-SANMLTNESA-N", "SMILES:CC(C)Sc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWNFVQBUGPJNT-MHZLTWQESA-N", "SMILES:CC(C)CSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSBQFIRXRZKUPY-MHZLTWQESA-N", "SMILES:Fc1cc(Cl)ccc1COc1cccc(C2CCN(Cc3nc4cc(-c5nnc(SCC6CC6)[nH]5)ccc4n3C[C@@H]3CCO3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUMDOYBNPJRMT-VWLOTQADSA-N", "SMILES:N#CCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SESKEEYEKCXIOS-VWLOTQADSA-N", "SMILES:NCCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTQORBCMPHRQSU-DEOSSOPVSA-N", "SMILES:O=C(O)CSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVPPHWHBJZKNB-DEOSSOPVSA-N", "SMILES:NC(=O)CSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSHCSDDCDAYEF-SANMLTNESA-N", "SMILES:CC(=O)CSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTTYCGQUIAGABO-VWLOTQADSA-N", "SMILES:OCCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BISXPXQIRKSUBU-SANMLTNESA-N", "SMILES:COCCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXNDUQQUNKAFCI-SANMLTNESA-N", "SMILES:OCCCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXJYFWPQDIXDE-MHZLTWQESA-N", "SMILES:OCCCCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLLACPAIPIRIFN-VWLOTQADSA-N", "SMILES:NC(=O)CCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKWLZZPUWHEION-SANMLTNESA-N", "SMILES:NC(=O)CCCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVSBWDRVUQLAMB-MHZLTWQESA-N", "SMILES:NC(=O)CCCCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRHUZGDCAMDTQ-DEOSSOPVSA-N", "SMILES:N=C(N)CSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEYVWXBOJQICOL-DEOSSOPVSA-N", "SMILES:N=C(CSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBTYMLUAYWLUCT-VWLOTQADSA-N", "SMILES:NC(=O)NCCSc1nnc(-c2ccc3c(c2)nc(CN2CCC(c4cccc(OCc5ccc(Cl)cc5F)n4)CC2)n3C[C@@H]2CCO2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPPWKONJFONMS-SANMLTNESA-N", "SMILES:Fc1cc(Cl)ccc1COc1cccc(C2CCN(Cc3nc4cc(-c5nnc(SCc6ncc[nH]6)[nH]5)ccc4n3C[C@@H]3CCO3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIEPBILXTWJXML-PMCHYTPCSA-N", "SMILES:O=C1NCC(CSc2nnc(-c3ccc4c(c3)nc(CN3CCC(c5cccc(OCc6ccc(Cl)cc6F)n5)CC3)n4C[C@@H]3CCO3)[nH]2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZGSFNWDPQBDQH-KHEAGTJRSA-N", "SMILES:CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)CSCC(=O)NCCC[C@@H]5NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC5=O)cc34)C21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2382400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVLZXGPNSNUAOM-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIBZOXIWLFUJES-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPGYSZCABXGCLH-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBMEHIGBOOPTA-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKFCFEYAQGAVDH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNYOIAIBUHJEAH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAMIWFLGCBPSGB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(O)c2C#N)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJMVULHWYFSFPK-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2382337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHYCTVUVTZKPOE-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSUIEUWUPPVSIR-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJDNVBRFENJLBW-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUVYPTGXKNMWNK-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNZJVJKWDHQACX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3Br)nc(O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOQOMPILSRDJQO-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAQVLUUSXPLBBU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(O)c2C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKLWKJOOKVYPM-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQRLXCLUJAOULG-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRUUSUIZMQUAX-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)nc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEPZSHAESGOCGU-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDHDWHVUYMQAPE-UHFFFAOYSA-N", "SMILES:N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2382401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDIGFAGHWNBGPU-UHFFFAOYSA-N", "SMILES:CC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCBFGVKQSIBUNO-UHFFFAOYSA-N", "SMILES:Fc1cc2cnn(-c3cncc4ccccc34)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWBPQYFAEYFDLO-UHFFFAOYSA-N", "SMILES:CC1(c2ccccc2)CCc2cncc(-c3ccc(C(F)(F)F)cc3F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWNBBXYSSLDJR-UHFFFAOYSA-N", "SMILES:O=C(CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZIIUPZMDHEEE-UHFFFAOYSA-N", "SMILES:Cc1c(F)cncc1C1COc2c(cccc2C(N)=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWTPYVIPXYCVFA-UHFFFAOYSA-N", "SMILES:N#Cc1cccc2c1OCC(c1cncc(CN3CCOC3=O)c1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTIUFKDXWDUKHL-UHFFFAOYSA-N", "SMILES:N#Cc1cccc2c1OCC(c1cncc(CN3CCCCS3(=O)=O)c1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZNIDCVSQYFLU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)COc1cncc(C2COc3c(C#N)cccc3O2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJWJVIPKAZFBNI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc2c1OCC(c1cncc(C(O)C3CCOCC3)c1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBYOUBCCQXKEHC-UHFFFAOYSA-N", "SMILES:CCCC1(c2ccc(C#N)cc2OC)C(=O)N(Cc2ccccc2)Cc2cncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEFNYIZXOAAHR-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)Nc2cccc(Cl)c2C1n1cncc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYWRKPPOZJVCMS-UHFFFAOYSA-N", "SMILES:CC1(C)CN(Cc2ccccc2)c2ccccc2C1N1C=NCC1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHQQZUPVNWLJL-UHFFFAOYSA-N", "SMILES:CC(C)CCC1(c2ccccc2Cl)C(=O)N(Cc2ccc(F)cc2)Cc2cncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPDMLAWMDTZLPY-UHFFFAOYSA-N", "SMILES:CNC(=O)Cn1cc(NC(=O)CN2CCN(c3cncc(-c4ccc(Cl)cc4)c3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWJMDGKKYFDBDZ-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)CN1CCN(c2cncc(-c3ccc4c(c3)CCO4)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCLETLIKNJRCT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cnnc(N2CCN(CC(=O)Nc3cccnc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUPAAQKOTAHNMD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cncc3c2CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITXORCJLPUUDIY-UHFFFAOYSA-N", "SMILES:CCC(=O)NC1CCCc2c(-c3ccc(C#N)cc3)cncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3623829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXHAHICPWSTRI-UHFFFAOYSA-N", "SMILES:CCC(=O)NC1CCCc2c(-c3ccc(Cl)c(F)c3)cncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWFYRJMWERRVLB-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CC1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2165315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBIRRYYRDPYJNP-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1-c1cccnc1)CCC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3951973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJKYRNYWDMFRNT-UHFFFAOYSA-N", "SMILES:Fc1cncc(-c2nc3cc(F)c(Cl)cn3c2C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOQRSYDGSPJRIH-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cccnc2)[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXRJWZOURZUCX-UHFFFAOYSA-N", "SMILES:Cn1c(-c2cccnc2)c(C#N)c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3747562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNQXIRZDOXDTMH-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)NCc1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3313972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUODWKMMJQIJQB-GZOQVGHDSA-N", "SMILES:C[C@H](c1ccc(Cl)cc1)N1Cc2cncn2C(C[C@H](O)c2ccccc2)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBYILWVEJSMRTQ-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)N2CC(Oc3cncc(N4C(=O)c5ccc(Cl)cc5C4(C)C)c3)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIWOXZJJYDVKCZ-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cncc(N2CCc3cc(Cl)ccc3C2=O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDGCUTVRQCCZKO-UHFFFAOYSA-N", "SMILES:CCn1cc(C(=O)N2CC3(C2)CN(c2cncc(N4C(=O)c5ccc(Cl)cc5C4(C)C)c2)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSKVMGDCMKCLG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CC(C)C(c1cncc3ccccc13)=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URCBDSWAOOULBM-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKSXBOBZGXBJBK-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYPPXRDGIFOZKW-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPSZWZSOPBDXOR-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ncc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEWYFSMFZVYMCC-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1nccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADEQUHXOUYZXBF-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cscn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXGILULPQSOFX-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDGRCZWNUUYVET-UHFFFAOYSA-N", "SMILES:CN(Cc1ccncc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STSJHUCWXFKBFA-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVPDNFHCRMZOCS-UHFFFAOYSA-N", "SMILES:CN(CCc1cccs1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYPAYZWLRWYFM-UHFFFAOYSA-N", "SMILES:CN(CCc1ccsc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTUUTSFMHAOPS-UHFFFAOYSA-N", "SMILES:CN(CCc1cccnc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXHUCNQIBTZQQC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)CSc2nc3ccccc3c(=N)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFCZCDNOWUZNN-UHFFFAOYSA-N", "SMILES:CN1CCCC(CSc2nc(N)c3c4c(sc3n2)CCCC4)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIDGMSOEXFQBJH-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1nc2cc(OCc3cccc(F)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOGHVXHSPZUBKO-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1nc2cc(OCc3ccc(F)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNUMLHKFMIVFEX-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1nc2cc(OCc3cccc(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSMQSRLIWPBJTO-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1nc2cc(OCc3ccc(Cl)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKPMOCHUELHHTI-UHFFFAOYSA-N", "SMILES:Cc1cccc(COc2ccc3[nH]c(CC(N)=O)nc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZGZIXRRVQDCP-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1nc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCFRSQKWFBNOAT-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1nc2cc(C(=O)Nc3ccccc3F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCUUHILWGVLZCB-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1nc2cc(C(=O)Nc3ccc(F)cc3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMOPBSAAZJYBJH-UHFFFAOYSA-N", "SMILES:NC(=O)Cc1nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPYPZGAULWVHPS-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)n(-c2ccccc2)c(=O)c2ccccc21)Nc1ccc2c(c1)C(=O)c1ccccc1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKRYXIPHARJMRT-UHFFFAOYSA-N", "SMILES:O=C(Cn1c(=S)n(-c2ccccc2)c(=O)c2ccccc21)Nc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLTXZYTYRLKJSC-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccc(F)cc1)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNJCZSCIWNQLFD-UHFFFAOYSA-N", "SMILES:O=C1NCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHBLXXRYMQQPH-JLPGSUDCSA-N", "SMILES:CCOC(=O)c1ccc(NC(=O)CS/C(=C\\C(=O)c2sc(Nc3ccccn3)nc2C)c2ccccc2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZTPEUMKWWRRKM-QGOAFFKASA-N", "SMILES:COc1ccc(/C=C2\\CC3(CC4C2=NN(C(N)=S)C4c2ccc(OC)cc2)OCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFJIQPJMDXSAQC-XSFVSMFZSA-N", "SMILES:COc1ccc(/C=C2\\CC3(CC4C2OC(=O)C(C(C)=O)C4c2ccc(OC)cc2)OCCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYMWLNPJQWTSD-LEWJYISDSA-N", "SMILES:O=C1N[C@H](C2CC2)[C@@H](C(=O)N2CCC(N3CCCCC3)CC2)c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRWVQSBHOYUUQD-BJMVGYQFSA-N", "SMILES:Cc1c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)nnn1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWRCSUDDSSRBLV-UHFFFAOYSA-N", "SMILES:CCN(CC)CCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUAYKEBADVSFNL-UHFFFAOYSA-N", "SMILES:O=C(CCN1CCOCC1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYVUCRARWGKRR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)NC4CCN(C(=O)c5ccc(Cl)o5)C4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQMGSEVLUHJWLL-UHFFFAOYSA-N", "SMILES:Cc1ccoc1C(=O)N1CCN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIGGFVDRRQGMOA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccc(Cl)o5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCMALEKADPQGHA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(C3CCN(C4CCC(F)(F)CC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQHBYGJPZJJEZ-JJFYIABZSA-N", "SMILES:CCNC(=S)N/N=C\\c1ccc(-c2nc3c(oc4ccccc43)c(=O)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDPPBKSUGFRJNP-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nccc(OCC(=O)N3CCN(c4ccc(C)cc4)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSZMSQQAQVKXEV-UHFFFAOYSA-N", "SMILES:COc1ccc(CSc2nccc(OCC(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVTHBJZWEMVXDC-ASHLZESASA-N", "SMILES:COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2N2CCN(CC(=O)NCCOCCOCCOCCC(=O)N3CCC[C@H](c4ccc(-n5cc6cccc(C(N)=O)c6n5)cc4)C3)C(=O)C2)c(OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFOWZENKXADIAV-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIDAWWQDGZPYHJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCZQBPIZLCCPM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKOVXGYVBXHCOW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCOINNWHZKKSA-UHFFFAOYSA-N", "SMILES:O=C(CCCOc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYIWDXSFDGHRSG-UHFFFAOYSA-N", "SMILES:O=C(CCCCOc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYTVHUNDYNUXIM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCOc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHHCFPCIKRDBG-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)N1CCc2cccc(C3=CC(=O)N(C)C3=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDSPLZBDBDHGL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(S(=O)(=O)c2cncnc2Nc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSGGALJJYPPFHB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(S(=O)(=O)c2cncnc2Nc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZSWMNMZDOGSX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC(Sc2cncnc2Nc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSLZLJZCHAHRMK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCC([S+]([O-])c2cncnc2Nc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZLSCDBHGGZPTI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cncnc1Nc1ccc(F)cc1)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLYVBVRTVTYTP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(S(=O)(=O)c2cncnc2Nc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVXBWOWAWBWCLT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCCCS(=O)(=O)c1cncnc1Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSALWSVJUUXIJK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCCS(=O)(=O)c1cncnc1Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXYXNUCYGINIPX-UHFFFAOYSA-N", "SMILES:CC(C)(CCNS(C)(=O)=O)S(=O)(=O)c1cncnc1Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXCVROIANYAWDS-UHFFFAOYSA-N", "SMILES:CC(C)(CCNS(C)(=O)=O)S(=O)(=O)c1cncnc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMCCUSVDZBXCOX-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)CCCCS(=O)(=O)c1cncnc1Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEAIMHSGVKYZTG-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)CCCCS(=O)(=O)c1cncnc1Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKGGWBFYGAKOCS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncncc2S(=O)(=O)CCCCS(=O)(=O)CCO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLOZDWFEDUTTPS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Nc2ncncc2S(=O)(=O)CCCCS(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNFXZYSQJWRVEV-UHFFFAOYSA-N", "SMILES:CC(CCCS(=O)(=O)c1cncnc1Nc1ccc(C#N)cc1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEMHCEMPILRXNM-UHFFFAOYSA-N", "SMILES:CC(CCCS(C)(=O)=O)S(=O)(=O)c1cncnc1Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXMQDEVKUHYBOL-UHFFFAOYSA-N", "SMILES:CCC(CCCS(C)(=O)=O)S(=O)(=O)c1cncnc1Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRXMRVOOBZYGJS-UHFFFAOYSA-N", "SMILES:CC(C)(CCCS(C)(=O)=O)S(=O)(=O)c1cncnc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQAIBCOYJNYPMA-UHFFFAOYSA-N", "SMILES:CC(C)(CCCS(C)(=O)=O)S(=O)(=O)c1cncnc1Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEOXJJIOXTUFLM-UHFFFAOYSA-N", "SMILES:CC(C)(CCCS(C)(=O)=O)S(=O)(=O)c1cncnc1Nc1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCWOMSDAXNPFI-UHFFFAOYSA-N", "SMILES:CC(C)(CCCS(C)(=O)=O)S(=O)(=O)c1cncnc1Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4097020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRQWLLPESJOOB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cnccc1Nc1cccc(C(F)(F)F)c1)N1CCOCC1"]}
{"name": "Cytochrome P450 11B2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3621020"], "id": "UniProtKB:P15539", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNWHURZZOXPMPX-UHFFFAOYSA-N", "SMILES:CC(C)C(CCCS(C)(=O)=O)S(=O)(=O)c1cncnc1Nc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297468", "category": ["biolink:ChemicalEntity"], "name": "ZETOMIPZOMIB", "xref": ["InChIKey:GHYOCDFICYLMRF-UTIIJYGPSA-N", "SMILES:COc1ccc([C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1"], "synonym": ["Zetomipzomib", "Kzr-616", "Zetomipzomib", "KZR-616", "Zetomipzomib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNHJEDLONNLAH-ZDUSSCGKSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cn(C2CCCCC2)nn1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESJQAVIXSEFAI-ZDUSSCGKSA-N", "SMILES:Cc1c(C(=O)N[C@@H](CC(C)C)B(O)O)nnn1C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRJCEPSZBRPLG-AWEZNQCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cnn(C2CCCCC2)c1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRZKOFBELIJTBV-ZDUSSCGKSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cnn(C2CCCCC2)n1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFEVCWAXCNSNSH-AWEZNQCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc(C2CCCCC2)on1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIZVZHVTAOUGIU-AWEZNQCLSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc(C2CCCCC2)no1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QASZSUHJRJBQOC-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc(C2CCCCC2)n(C)n1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOSZXVDPLQJPSQ-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1cc(C2CCCCC2)nn1C)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVIFLZKWVUDSY-HNNXBMFYSA-N", "SMILES:CC(C)C[C@H](NC(=O)c1ccc(C2CCCCC2)nn1)B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVLKARGEFJPHRI-AWEZNQCLSA-N", "SMILES:O=C(N[C@@H](CC1CCC1)B(O)O)c1cn(C2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPZAOIHZBIBSDD-HNNXBMFYSA-N", "SMILES:O=C(N[C@@H](CC1CCCC1)B(O)O)c1cn(C2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APRMYPKUFQYWDR-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](CC1CCCCC1)B(O)O)c1cn(C2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJYHWJQROXMRFQ-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)B(O)O)c1cn(C2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXTQFBLDIGRFCF-ZDUSSCGKSA-N", "SMILES:O=C(N[C@H](B(O)O)C1CCC1)c1cn(C2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRXAWRLAUGXLHH-AWEZNQCLSA-N", "SMILES:O=C(N[C@H](B(O)O)C1CCCC1)c1cn(C2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSGADSLNPZAYBK-HNNXBMFYSA-N", "SMILES:O=C(N[C@H](B(O)O)C1CCCCC1)c1cn(C2CCCCC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOKILESCUSCJJG-HHHXNRCGSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWMGENZKFTFRT-RUZDIDTESA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHFAMAPCXYOUNE-AREMUKBSSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INZZQBRQZLCJQA-HHHXNRCGSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUCJTKVCAKZNK-RUZDIDTESA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNZNTKCZSIPVET-XMMPIXPASA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTGNQMQDNHSIK-RUZDIDTESA-N", "SMILES:COC(=O)CNC(=O)C(C)(C)Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHAHFTBKJCHAQQ-OFSOJUDTSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEKMIKATKFMDI-PPTMTGTBSA-N", "SMILES:CN(C)[C@H]1CCN(C(=O)CNC(=O)C(C)(C)Oc2cccc(N3CCC[C@@H](NC(=O)N(Cc4ccc(-c5cn[nH]c5)cc4)C4CC4)C3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKNCMNXJRVBWSJ-NDKRRWIDSA-N", "SMILES:CN(C)C[C@@H]1CCCN1C(=O)CNC(=O)C(C)(C)Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENXVTSQHXVLQX-MVSFAKPFSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCC[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKQUORHLXYMRJ-LITSAYRRSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CC[C@@H](CN)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKQUORHLXYMRJ-GGXMVOPNSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CC[C@H](CN)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGZRTHGAFEKRT-PPTMTGTBSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCCC[C@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGZRTHGAFEKRT-QLWXXVCSSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCCC[C@@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWAMJRFMLXZPR-IDCGIGBZSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCCC1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOKILESCUSCJJG-MHZLTWQESA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWMGENZKFTFRT-VWLOTQADSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHFAMAPCXYOUNE-SANMLTNESA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INZZQBRQZLCJQA-MHZLTWQESA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUCJTKVCAKZNK-VWLOTQADSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUTGNQMQDNHSIK-VWLOTQADSA-N", "SMILES:COC(=O)CNC(=O)C(C)(C)Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHAHFTBKJCHAQQ-FIBWVYCGSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPEKMIKATKFMDI-NYDCQLBNSA-N", "SMILES:CN(C)[C@H]1CCN(C(=O)CNC(=O)C(C)(C)Oc2cccc(N3CCC[C@H](NC(=O)N(Cc4ccc(-c5cn[nH]c5)cc4)C4CC4)C3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKNCMNXJRVBWSJ-DITALETJSA-N", "SMILES:CN(C)C[C@@H]1CCCN1C(=O)CNC(=O)C(C)(C)Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENXVTSQHXVLQX-IZEXYCQBSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCC[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJIUMDPDBIDHCQ-QCENPCRXSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCC[C@@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDKQUORHLXYMRJ-UHSQPCAPSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CC[C@H](CN)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGZRTHGAFEKRT-NYDCQLBNSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCCC[C@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDGZRTHGAFEKRT-BHDXBOSCSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCCC[C@@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWAMJRFMLXZPR-UFXYQILXSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCCC1CCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSFHHDBOCFXHPH-NAKRPHOHSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)nc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSFHHDBOCFXHPH-LSYYVWMOSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)nc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJIUMDPDBIDHCQ-MVSFAKPFSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCC[C@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJIUMDPDBIDHCQ-IZEXYCQBSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCC[C@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZQOCKVNKMEPN-OFSOJUDTSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cn3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCC[C@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMZQOCKVNKMEPN-FIBWVYCGSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)cn3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCC[C@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYNYFRLVJMSDI-UHSQPCAPSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)nc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCC[C@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYNYFRLVJMSDI-WNJJXGMVSA-N", "SMILES:CC(C)(Oc1cccc(N2CCC[C@H](NC(=O)N(Cc3ccc(-c4cn[nH]c4)nc3)C3CC3)C2)c1)C(=O)NCC(=O)N1CCC[C@H]1CN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXOWGKJLADMGE-UJLGBSNOSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N(C)C)N(C)C(=O)[C@H](C2CCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@@H]2CCN2C(=O)[C@H](C)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSLTGVYRVLTPJ-HMKKRVEXSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCC2)N(C)C(=O)[C@H](C2CCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@@H]2CCN2C(=O)[C@H](C)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEDDCLVPAXUXGI-USGWDKCYSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCOCC2)N(C)C(=O)[C@H](C2CCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@@H]2CCN2C(=O)[C@H](C)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHWXAQUFULYNLN-OTTJVQKVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C2CCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@@H]2CCN2C(=O)[C@H](C)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIVLAWRHZDFTQF-JIAUJKNESA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C2CCCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBPOJKPIYEWJB-CIWSWMOFSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C2CCCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUZCTJCTJISCS-LSMWYRDUSA-N", "SMILES:CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)[C@@H](CC2CCCCC2)C(=O)N(C)CC(=O)N[C@@H](CCc2ccc(C(F)(F)F)c(Cl)c2)C(=O)N2CCC[C@H]2C(=O)NC2(CCCC2)C(=O)N(C)[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C(=O)N2CCCCC2)CC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYEMSXAUCFKCPJ-GXOVTGHBSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)C2(CCCC2)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C2CCCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCHIQEGFNUSYAV-IPURPJBVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C2CCCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYMJHSKGFDOHHM-LSMWYRDUSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCOC)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C2CCCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXLWIEYMVRJLDL-HPRRYCLHSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CCO)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C2CCCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNMMUZFEBURJLQ-YHQRAWEVSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C2CCCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWBGQRYSEHHEFF-KJVDDUPKSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(CC)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C2CCCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)CN(C)C(=O)CN(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMHFXZCPVQSFHC-PCARWJJXSA-N", "SMILES:C[n+]1c(/C=C/c2c[nH]c3ccccc23)cc(/C=C2\\Sc3ccccc3N2CCCN2CCC(C(F)(F)F)CC2)c2ccccc21.[I-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEUYEGQPCNJIDU-QXDRVWKASA-N", "SMILES:CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)OCc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CN2C(=O)c3ccccc3[C@@]2(O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLZQIQFDISMGGW-KXFHBKRFSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@@H]([C@H]2CO[C@@H](CCCCCCCCCCC)O2)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMPVJRJOPDMGE-JIBSRAOASA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@@H]([C@H]2CO[C@@H](CCCCCCCCC)O2)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMPVJRJOPDMGE-NPLUWEEZSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@@H]([C@H]2CO[C@H](CCCCCCCCC)O2)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLZQIQFDISMGGW-PKGCWQSGSA-N", "SMILES:CCCCCCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@@H]([C@H]2CO[C@H](CCCCCCCCCCC)O2)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAUMENRYIMZAQB-NAHATQNNSA-N", "SMILES:CCCCCCCCCCCC[C@@H]1OC[C@H]([C@@H]2O[C@@H](OC[C@H](O)COC(=O)CCCCCCCCCCC)[C@H](O)[C@H]2O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDWJQCEOSGEOO-QFOLPQNPSA-N", "SMILES:N#C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2ccc3c(N)ncnn23)[C@H](F)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGRGENULNBECTG-QFOLPQNPSA-N", "SMILES:N#C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQJDEXLBELPSPM-QFOLPQNPSA-N", "SMILES:C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQEGXSCRHAZKNV-MRBYEJRBSA-N", "SMILES:C=C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVZWCKBANISKFV-QFOLPQNPSA-N", "SMILES:Nc1ncnn2c([C@@H]3O[C@](CCl)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCLPICNMSOBPE-FTYOSLGDSA-N", "SMILES:[N-]=[N+]=N[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5219318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYENGXVTZIFICH-VWLOTQADSA-N", "SMILES:CCN(CC)C(=O)C[C@H]1C(=O)Nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3Br)c(Oc3cc(C)cc(C)c3)cc2C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNJNCWSYYYTQE-RMIIKSHTSA-N", "SMILES:[2H]C([2H])([2H])Oc1cc(C(=O)Nc2cc3c(cc2Oc2cc(C)cc(C)c2)C(=O)N[C@@H](CC(=O)N(OC([2H])([2H])[2H])C([2H])([2H])[2H])C(=O)N3)c(Br)c(OC([2H])([2H])[2H])c1OC([2H])([2H])[2H]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHWWKCOVVBFNIP-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccccc2)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHDZMAWHUOGZQW-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJNDJZYRGBLNMR-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJBJDOWJXRJZNS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)nc(O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNXZUTHORCCCOO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)nc(O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWDBTPCKVPWWCM-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQJCRVAKMGXKP-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccc(Cl)c2Cl)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDRHTROVESKHSY-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBPFMGILFQRYHE-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBXGLXVDXHVTCF-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cc(Br)c(O)c(Br)c2)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDJFHTJMWGADJW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)nc(O)c2C#N)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAKXNUPYTGXHIM-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc3ccccc3c2)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UORMFDMJXVPCKX-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2cccnc2)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUNJDJYWLQEZOG-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2c[nH]c3ccccc23)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVHSHRJRCXWFX-LQKURTRISA-N", "SMILES:C/C(=N\\O)c1ccc(NC(=O)c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJJSWJQPJABSJG-KGENOOAVSA-N", "SMILES:C=CCn1c(SCC(=O)Nc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEJTWZWBUGLDLR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2ccc(Br)cc2)[nH]n1)c1ccnc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZCCLXYIACZQAC-XLNRJJMWSA-N", "SMILES:OCCn1cc(-c2ccc3c(c2)C/C(=N\\O)C3)c(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXVHAAVSYGMGOU-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2cc(=O)[nH]c3c(C)cccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFJCFJAVFPVREF-UHFFFAOYSA-N", "SMILES:O=c1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)c2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLBAASYQISDBCJ-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(=O)cc(-n3nc(-c4ccccc4)cc3-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMEBYRJAVPRJEN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORCSJLITRZJQRW-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc(=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIGDITICULVAJV-BMQKOIKESA-N", "SMILES:CC(C)(C)NP(=O)(NC(C)(C)C)c1nncc2c1CC1CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2"]}
{"name": "Cytochrome P450 7A1", "xref": ["CHEMBL.TARGET:CHEMBL1851"], "id": "UniProtKB:P22680", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome P450 7B1", "xref": ["CHEMBL.TARGET:CHEMBL6067456"], "id": "UniProtKB:O75881", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMHYFMRONYPBNG-BORNJIKYSA-N", "SMILES:COc1ccc(OC)c(/C=C2\\N=C(N)NC2=O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SETADIWCVMVETO-NGRDVXTNSA-N", "SMILES:COc1cc(/C=C2\\N=C(N)NC2=O)c(OC)cc1Br.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOKIWHFHSSFFHX-OKCVXOCRSA-N", "SMILES:COc1cccc(/C=N/c2c(C#N)nc3c(-c4cc(OC)c(OC)c(OC)c4)nc4ccccc4n23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CADIUXHTJVELHT-UVHMKAGCSA-N", "SMILES:COc1cc(-c2nc3ccccc3n3c(/N=C/c4ccsc4)c(C#N)nc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHYDLAYRAMSHX-KPGMTVGESA-N", "SMILES:COc1cc(/C=N/c2c(C#N)nc3c(-c4cc(OC)c(OC)c(OC)c4)nc4ccccc4n23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKDXLOVRIVCWST-QFIPXVFZSA-N", "SMILES:CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQHAHHQNLWCGW-QFIPXVFZSA-N", "SMILES:CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEUFGUHUDZTDDG-QHCPKHFHSA-N", "SMILES:CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNOSUSXPUIIRD-QFIPXVFZSA-N", "SMILES:CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEIZJQYWBKXFCQ-DEOSSOPVSA-N", "SMILES:CCc1ccccc1C(=O)N(CC)C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEUFWNJXEBOKMU-QFIPXVFZSA-N", "SMILES:CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIGYENSTFRDCGF-QHCPKHFHSA-N", "SMILES:CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(C)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPOHQVZEWBFBR-QFIPXVFZSA-N", "SMILES:CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(F)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKYUVVAKVPLHIG-DEOSSOPVSA-N", "SMILES:CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFRIOWVLYQYXOJ-QHCPKHFHSA-N", "SMILES:CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(C)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1230603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQMULLPLYLIGW-QFIPXVFZSA-N", "SMILES:CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL455662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKQMULLPLYLIGW-JOCHJYFZSA-N", "SMILES:CCN(C[C@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIRKVEZWOQFACY-VWLOTQADSA-N", "SMILES:CCc1cccc(C)c1C(=O)N(CC)C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDYNLPUKTNZKDP-DEOSSOPVSA-N", "SMILES:CCc1cccc(Cl)c1C(=O)N(CC)C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLWGKPZJWJJFIW-SANMLTNESA-N", "SMILES:CCc1cccc(CC)c1C(=O)N(CC)C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDGHGMWEEBVMLX-CHQNGUEUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)c1nc2ccccc2s1"]}
{"name": "Transmembrane protease serine 6", "xref": ["CHEMBL.TARGET:CHEMBL1795139"], "id": "UniProtKB:Q8IU80", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBAGQZOBOGXAKC-QKDODKLFSA-N", "SMILES:CC(C)(C)C[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWVHGLSTJNZJEL-QKDODKLFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGROXKKMPXLGHO-QYDYLWNGSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C1CCCCC1)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYGCLRTPKCBJX-FSEITFBQSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZGUBQZUUUXNO-AFEGWXKPSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGSBOFYHAGDTA-DTXPUJKBSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCRJUXROXVLKC-QYDYLWNGSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGTYRLINDSCBGC-AFEGWXKPSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHHWIAFYJLXKW-ULKKMRMTSA-N", "SMILES:CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJZROKIFXZQIGB-CHQNGUEUSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEKVGLQSTIDODU-DTXPUJKBSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGHHWIAFYJLXKW-KXDOSHFCSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4081543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPVABWUQNRDDL-VBOOUTDYSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYNIQQFIMSQNOR-QVXXBSHFSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C1CCCCC1)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPDPAWXTOAVKLC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUODQMHHJMNXBH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQNCVMOYVVGQBJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMQCRDQHDGRHSO-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKHGJJBBRCDOLT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJQMAWLHMUNJJN-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCCNc2nc(ncc2-c2cccc(Cl)c2F)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTWOXLUJQYFHDS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZFILBOUFPZTA-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCCNc2nc(ncc2-c2ccc(F)c(C(F)(F)F)c2)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFNPMFHKRMJZAD-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCCNc2nc(ncc2-c2ccc(F)c(Cl)c2)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTJRSWPZVZOLG-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCCNc2nc(ncc2-c2ccc(F)c(O)c2)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUJBIRBWZFAEN-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTKNPACRSATKPR-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJODSZNTRSLCG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQTYUYUQCGJCX-UHFFFAOYSA-N", "SMILES:CSc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQUNCFCQZMOTHV-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCCNc2nc(ncc2-c2ccc(Cl)c(Cl)c2)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRAYLQVJPUMBPE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCTZZCYHCHVQHR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGCZUTZDVFGRH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYQAMWKZYANUDF-UHFFFAOYSA-N", "SMILES:COc1c(F)ccc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRVZXUNFIHZVTL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)cc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYKQOPUJTJVBFF-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCCNc2nc(ncc2-c2cc(Cl)c(F)cc2F)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUUPJXDJURKYFQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPBDIILLXKYMDL-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)c(Cl)cc1-c1cnc2nc1NCCCNS(=O)(=O)c1cccc(c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJXVAWSZYBHQQO-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCCNc2nc(ncc2-c2cc(Cl)c(Cl)cc2F)Nc2cccc1c2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBOHXOYZBFTJR-UHFFFAOYSA-N", "SMILES:CCNc1nc(Nc2cccc(S(=O)(=O)NC)c2)ncc1-c1ccc(F)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGFPNSGRVORCKQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2C)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGCOHBPDPFCAHA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2Cl)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULCIVHLQFMURQB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2OC)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXJOGMNATOTTQZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2-c2ccc(O)cc2)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDGGJEIANSHNLJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2O)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCDUXQUQGSKWMD-UHFFFAOYSA-N", "SMILES:COCCOc1ccc2cc1S(=O)(=O)NCCCNc1nc(ncc1-c1ccc(F)c(OC)c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUPUKDDOCMXBAI-UHFFFAOYSA-N", "SMILES:COC(=O)COc1ccc2cc1S(=O)(=O)NCCCNc1nc(ncc1-c1ccc(F)c(OC)c1)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVBIMLONNIGJSU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2OCC(N)=O)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZJJRRWCZHDCM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2OCCN2CCOCC2)N3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWSQADBSXFTFKL-UHFFFAOYSA-N", "SMILES:O=S1(=O)NCCCNc2nc(ncc2Br)Nc2cccc1c2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1198514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGSMEFWSLXFLQA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHBKCPSDMWHHLZ-QYVSTXNMSA-N", "SMILES:C#Cc1cn([C@@H]2S[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEVNQGBTBQUXBS-UHFFFAOYSA-N", "SMILES:Cn1cc(CNCc2ccc(O)cc2)c2cc(C(=O)NCCN3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFFSMSQMUXBOC-UHFFFAOYSA-N", "SMILES:Cn1cc(CNCc2ccc(O)cc2)c2cc(C(=O)NCc3cccc(CN)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMQTWPNRFWLVQB-UHFFFAOYSA-N", "SMILES:Cn1cc(CNCc2cccc(O)c2)c2cc(C(=O)NCCCN)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNQGBVTWKOIWNL-UHFFFAOYSA-N", "SMILES:Cn1cc(CNCc2ccc(O)cc2)c2cc(C(=O)NCc3ccc(CN)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEFJTRHAIQWTAV-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(O)cc1)Cc1cn(C)c2ccc(C(=O)NCCN3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWSVNJGPPQUUAI-UHFFFAOYSA-N", "SMILES:CN(Cc1ccccc1)Cc1cn(C)c2ccc(C(=O)NCc3ccc(CN)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWGGMWVMXOQDJW-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(O)cc1)Cc1cn(C)c2ccc(C(=O)Nc3ccc(CCN)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJUJATBFQSVWQP-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(O)c1)Cc1cn(C)c2ccc(C(=O)NCCCN)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQQKGHOFEAYSDU-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(O)cc1)Cc1cn(C)c2ccc(C(=O)NCc3ccc(CN)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFAXQCAMJCJGEA-UHFFFAOYSA-N", "SMILES:Cn1cc(CNCc2ccc(CN)cc2)c2cc(C(=O)NCCN3CCNCC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXAAZXVSNNGSNX-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(CN)c1)Cc1cn(C)c2ccc(C(=O)NCCCN)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWXYNYOMIDCJMG-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(CN)cc1)Cc1cn(C)c2ccc(C(=O)NCCN3CCNCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEQMJMTAFFZQK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3c(c2)c(CNCCc2ccc(-c4ccccc4)cc2)cn3C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSVUOHAKSJQIQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3c(c2)c(CNCCc2ccc(Cl)cc2)cn3C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWKAUJJZKBPSIS-UHFFFAOYSA-N", "SMILES:Cn1cc(CNCc2ccccc2)c2cc(C(=O)Nc3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HESZMWJPFNPBSG-UHFFFAOYSA-N", "SMILES:Cn1cc(CNCCc2ccccc2)c2cc(C(=O)Nc3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJCBIGMPINFTBA-UHFFFAOYSA-N", "SMILES:Cn1cc(CNCc2cccc3ccccc23)c2cc(C(=O)Nc3ccc(F)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYIMUHPOFTUKS-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)c2ccc3c(c2)c(CNCc2ccc(O)c(O)c2)cn3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNINZMMLNLEDJR-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc3c(c2)c(CNCc2cccc(O)c2)cn3C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKBKODGONYAHOB-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc(O)c1)Cc1cn(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSOHWMZPMDCHY-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc3c(c2)c(CN(C)Cc2cccc(O)c2)cn3C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAPFVINNTWFRHH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc3c(c2)c(CNCCN2CCNCC2)cn3C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYNOVGMRAYSMEO-UHFFFAOYSA-N", "SMILES:CN(CCc1ccc(-c2ccccc2)cc1)Cc1cn(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOOGAFNCCPECB-CQSZACIVSA-N", "SMILES:O=C(O)[C@@H]1CCCN(c2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKOOGAFNCCPECB-AWEZNQCLSA-N", "SMILES:O=C(O)[C@H]1CCCN(c2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNHBFERYKKGJQE-UHFFFAOYSA-N", "SMILES:O=C(O)C1CCN(c2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDTUCBZDYDOHAC-UHFFFAOYSA-N", "SMILES:CN(CCC(=O)O)c1ncnc2ccc(-c3c[nH]c4ncccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCHCZLJTHSYTLJ-UHFFFAOYSA-N", "SMILES:CC(C)(CNc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJIZCIYFEJXFMX-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]cc(-c3ccc4ncnc(NC5CCOCC5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEJYZNPNPKXOGE-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]cc(-c3ccc4ncnc(NCC5CCOCC5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMCPTKALNGXCPF-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKUCZMBFGZCLGC-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIWNXHOBDPWKBO-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKFUIMGRUNQWSP-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWEJSOFKTOSBBW-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWMXKOHTMOEUML-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXYFKTGMVYYJCJ-UHFFFAOYSA-N", "SMILES:Clc1ccc(Nc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPHSWXYIQFTYFN-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYGPTJITHPPYHL-UHFFFAOYSA-N", "SMILES:c1ccc(CNc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRECDYAMWUCSKN-UHFFFAOYSA-N", "SMILES:c1cnc2[nH]cc(-c3ccc4ncnc(NCc5ccncc5)c4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITALWDHOXWJDL-OAHLLOKOSA-N", "SMILES:C[C@@H](Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITALWDHOXWJDL-HNNXBMFYSA-N", "SMILES:C[C@H](Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKAAMYUEJAVTIU-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHNLTFHXEAEXSF-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZFGJOXGLVJDDJ-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSSDIMWSDMYHCK-CQSZACIVSA-N", "SMILES:C[C@@H](Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYVBBBNYTNSCKF-UHFFFAOYSA-N", "SMILES:OCC(Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYVBBBNYTNSCKF-NRFANRHFSA-N", "SMILES:OC[C@H](Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYVBBBNYTNSCKF-OAQYLSRUSA-N", "SMILES:OC[C@@H](Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPEOPYVPCVBAKN-UHFFFAOYSA-N", "SMILES:c1ccc(CCNc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNHFGLWDANFBX-UHFFFAOYSA-N", "SMILES:OC(CNc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNHFGLWDANFBX-NRFANRHFSA-N", "SMILES:O[C@@H](CNc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNHFGLWDANFBX-OAQYLSRUSA-N", "SMILES:O[C@H](CNc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVQSVXQLBLFBJI-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ncnc3ccc(-c4c[nH]c5nc(C)ccc45)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNVPCONHWCXDES-JOCHJYFZSA-N", "SMILES:Cc1ccc2c(-c3ccc4ncnc(N[C@H](CO)c5ccccc5)c4c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGPBLWPUPCMPDV-QFIPXVFZSA-N", "SMILES:Cc1ccc2c(-c3ccc4ncnc(NC[C@H](O)c5ccccc5)c4c3)c[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZDHUHMXXALFX-UHFFFAOYSA-N", "SMILES:CCC1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFKOHAKRTWFADA-OLZOCXBDSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1Cl)C(=O)N1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHRIQYMBTBMUQL-OLZOCXBDSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPTYKVJSUWLMSZ-CVEARBPZSA-N", "SMILES:CC(C)c1cc2c(-c3ccc(F)cc3Cl)cc(=O)oc2cc1O[C@H](C)C(=O)N1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5440629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFEKWBKJUBCXDT-KGLIPLIRSA-N", "SMILES:C[C@@H](Oc1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1)C(=O)N1CCC[C@H](C(=O)O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNLLELKMRNNACS-SECBINFHSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)NCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTJYUNUCHWNNCZ-LLVKDONJSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)NCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEKMEDSOWCGFV-LLVKDONJSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N(C)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBDWMIWZUPUKT-LLVKDONJSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTIHKQSNYPVKIH-GFCCVEGCSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCKFXVVWCCOYFE-CYBMUJFWSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWPMLIQXIYBANI-CYBMUJFWSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N1CCCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPGHUCJOABMTBO-CQSZACIVSA-N", "SMILES:CC1CCN(C(=O)[C@@H](C)Oc2cc3oc(=O)cc(-c4ccc(F)cc4Cl)c3cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZJWFUBWQZRZFR-GFCCVEGCSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N1CCC(Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNLFEEDAKSHPHQ-GFCCVEGCSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N1CCC(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDTOQNMONCMHLD-GFCCVEGCSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPJQCKBHMYAEBJ-KWCCSABGSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N1CCCC(C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLNZQSCFRQWTRX-GFCCVEGCSA-N", "SMILES:CCN(CC)C(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZKRVCBMKNIXMF-SNVBAGLBSA-N", "SMILES:C[C@@H](Oc1cc2oc(=O)cc(-c3ccc(F)cc3Cl)c2cc1F)C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISXPUPKTFBRIFI-MRXNPFEDSA-N", "SMILES:CCN(CC)C(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3cccc4ccccc34)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDJXDYVFRWOTDX-CQSZACIVSA-N", "SMILES:CCN(CC)C(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKIYHWNWONQUNW-CYBMUJFWSA-N", "SMILES:CCN(CC)C(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccccc3Cl)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVWHGKSNGAENFL-CYBMUJFWSA-N", "SMILES:CCN(CC)C(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccccc3F)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCAVOIQRIQGRMS-OAHLLOKOSA-N", "SMILES:CCN(CC)C(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccccc3C)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRKCVSFTUYYBKX-CQSZACIVSA-N", "SMILES:CCN(CC)C(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccccc3OC)c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSWOXLJIIGAVAZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(COc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXYHYIDMUQJBBC-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUBZQYZSMSHHOW-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(COc2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNOCPUBSPMRDLX-UHFFFAOYSA-N", "SMILES:Cc1ccc(=O)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3OCc3ccc(C(=O)O)cc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYAVPYQQCKQNQW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHOVGHRUYSGFKR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(COc2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCMPKVDRKAJUSC-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXZPJVPNQDREED-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(NC(=O)c2cc(Cl)ccc2NC(=O)C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYFJHOCCECXVDC-UHFFFAOYSA-N", "SMILES:O=C(O)CCc1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSCFVQHQRCADCZ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccc(CCC(=O)O)c2)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZZNXYJRXBGWEO-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C(\\N)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOIBAJHOXKMJQZ-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C(\\N)c1ccc(Br)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFKHUZTQIJYGJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(/C(N)=N/OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGEGNXDUSBMNFD-UHFFFAOYSA-N", "SMILES:Cc1ccc(/C(N)=N/OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDQAPBVGLNOQFC-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C(\\N)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENARVKVCUVYFG-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Cl)cccc2Cl)c1-c1nc(-c2cccnc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTAVRAQSXWUUDZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2noc(-c3c(-c4c(Cl)cccc4Cl)noc3C)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POPQRBIVDLIGRH-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Br)cccc2Br)c1C(=O)O/N=C(\\N)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMROERRPLJSIH-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2c(Br)cccc2Br)c1C(=O)O/N=C(\\N)c1ccc(Br)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JICCWRLHGVGFQJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1noc(C)c1C(=O)O/N=C(\\N)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFKUCIHRJOFNKO-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1-c1noc(C)c1C(=O)O/N=C(\\N)c1ccc(Br)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYBVHYJAJSWUIT-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=N)NOC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1719810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDCZTLLMZMHYOW-UHFFFAOYSA-N", "SMILES:Cc1nc(C(N)=NOC(=O)c2c(-c3ccccc3Cl)noc2C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUYKFGMHCXMECP-UHFFFAOYSA-N", "SMILES:Cc1nc(/C(N)=N/OC(=O)c2c(-c3ccccc3)noc2C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFCYEPXGPWWFQD-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)O/N=C(\\N)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKLLTKVTHPSLCO-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)O/N=C(\\N)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBJGQXMXWFFENC-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)O/N=C(\\N)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHCWSDNHWDHCPP-UHFFFAOYSA-N", "SMILES:Cc1cccc(/C(N)=N/OC(=O)c2c(-c3ccccc3Cl)noc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWFFYSWWCFMKP-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2Cl)c1C(=O)O/N=C(\\N)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCXNSHZWKGEIIL-UHFFFAOYSA-N", "SMILES:N/C(=N\\OC(=O)c1ccccc1-c1ccccc1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASHNEMDXAVWPLL-BJMVGYQFSA-N", "SMILES:O=C(/C=C/c1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNKSAUJIJDOUAR-DHZHZOJOSA-N", "SMILES:CCCCNC(=O)/C=C/c1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095256", "category": ["biolink:ChemicalEntity"], "name": "TINLORAFENIB", "xref": ["InChIKey:VVLVISDSGRHLMB-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12"], "synonym": ["Tinlorafenib", "Tinlorafenib", "Tinlorafenib", "Tinlorafenib", "AR00504461", "ARRY-461", "PF-07284890", "Tinlorafenib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYVXDEQFHMIAOD-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWMXFNLVPRQJSD-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UILUWCJMOMIDSJ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(N(CC)c2ccc3ncn(C)c(=O)c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCCXSYIQSCDTLS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVWMSWQHNXCBGU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Sc2ccc3ncn(C)c(=O)c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROVPPJCAODUFRF-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNSGXSJZSVYGHO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3236467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDNFDHFSSEUBO-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3233047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEUDESATLDVKQV-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(Cl)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRGSVQGWXYCGL-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFIMMKUMKHSHAC-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQPRISGGNKPKN-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMHKEUROBFRQKU-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2OC)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWHDMOYTAAZBX-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(CC)c(=O)c3c2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOLGHIYCCWBOTE-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C(C)C)c(=O)c3c2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQCMGNQBWIZUQH-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(CC4CC4)c(=O)c3c2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTRWUIKDRPERZ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C4CC4)c(=O)c3c2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOWFOVXGJCIFX-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUWHVUBQNZNCKI-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2c(F)ccc(NS(=O)(=O)CC(C)C)c2Cl)ccc2ncn(C)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJXIXQYIMFYSNU-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2c(F)ccc(NS(=O)(=O)CC3CC3)c2Cl)ccc2ncn(C)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWBZHCIJMRLBH-UHFFFAOYSA-N", "SMILES:CCC(C)S(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUSRNCIDQKKFZ-UHFFFAOYSA-N", "SMILES:Cc1c(Nc2c(F)ccc(NS(=O)(=O)C3CC3)c2Cl)ccc2ncn(C)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5560973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQTRUKZGCBXQDD-IWHLCMBKSA-N", "SMILES:Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCNc2ccc(C(=O)N[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(Cl)c4)C3(C)C)cc2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHSQHQFNASPJDS-VFNMKJDVSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(NC4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERCWYYKUVBKME-MPRURJGZSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(CNC4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGUOZVATCZHXEV-CSIJRWDJSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(CN(C)C4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPYPSMVKJINFTA-STDKDGGTSA-N", "SMILES:C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(CN4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRCUJRYNQVMQME-WFBXKJNTSA-N", "SMILES:C[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H](c2cnc(N3CCC(CCN4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2)N1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314528", "category": ["biolink:ChemicalEntity"], "name": "LUXDEGALUTAMIDE", "xref": ["InChIKey:RDPPBRKNBBXPNZ-FMPIRMQTSA-N", "SMILES:COc1cc(O[C@H]2C(C)(C)[C@H](NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc(C(=O)N[C@H]7CCC(=O)NC7=O)c(F)c6)CC5)CC4)cc3)C2(C)C)ccc1C#N"], "synonym": ["Luxdegalutamide", "Luxdegalutamide", "Luxdegalutamida"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDPPBRKNBBXPNZ-GCMHHYOISA-N", "SMILES:COc1cc(O[C@H]2C(C)(C)[C@H](NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc(C(=O)N[C@@H]7CCC(=O)NC7=O)c(F)c6)CC5)CC4)cc3)C2(C)C)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQSCKYAATADRBI-LOWSNRHLSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGJIPQZQVQDBLC-NRBJCHDQSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYNRZKOYLFEIKR-HTRCROQJSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLUOUQRWFVCVFM-LBTVHQNWSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTCBGMFVCXUMEE-HTRCROQJSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPMHOCGRZOJFLA-ZHWHIFPMSA-N", "SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCO)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZMHLPRBPLRNSY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(CNc3ccc(C(=O)NO)cc3)c3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIUCJIMIASIARE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(CNc3ccc(C(=O)NO)cc3F)c3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUCPSPWXJBQYFJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(CNc3ccc(C(=O)NO)cc3Cl)c3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFRQSUKHJIPMS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(CNc3ccc(C(=O)NO)cn3)c3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLJYYURVABIFW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(CNc3ccc(C(=O)NO)cc3)c3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQTZPMZIMYPOZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2cc(-c3ccccc3F)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFHODJUJZOKOPS-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2cc(CNc3ccc(C(=O)NO)cc3)c3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHACPHRQFGSPTJ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cc(CNc3ccc(C(=O)NO)cc3)c3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRCCUGICPFMFQX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(CNc3ccc(C(=O)NO)cc3)c3nccn3c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPZWPEJDNTYCCU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(CNc3ccc(C(=O)NO)cc3)c3nccn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAYVIGRSFOIEGF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2cc(-c3cccc(F)c3)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFXBVIGTKEUHL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(CNc2ccc(C(=O)NO)cc2)c2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWBGASIJVKDCQG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2cc(-c3ccc(F)cc3)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOYONXZDSSQWRM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2cc(-c3cccs3)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZDNNZQWWBNIV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2cc(-c3ccccc3Cl)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5576031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNUDAFRRKDUNGA-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(CNc2ccc(C(=O)NO)cc2)c2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGOKOYTXAMNFSZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2cc(-c3cccc(Cl)c3)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIPCTVKCCGZKIT-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-c1cc(CNc2ccc(C(=O)NO)cc2)c2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJLULVQIWPJRKI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NCc2cc(-c3cccc(Br)c3)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZHODTMKYDYDFH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(NCc3ccc(C(=O)NO)cc3)c3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARULAUMEUMVHV-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(NCc3ccc(C(=O)NO)cc3)c3nccn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOOBKBROOKANPR-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNc2cc(-c3cccc(F)c3)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGMMFCLIYOOBIV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(NCc2ccc(C(=O)NO)cc2)c2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCLWFCYSVKCTDL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNc2cc(-c3ccccc3F)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULNYNRXBKEFKD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNc2cc(-c3ccc(F)cc3)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNOHTZDTZOEDEI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)NO)cc3)c3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNLVUTBETVIWBR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)c3nccn3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOOSNSJHTFWGGN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVLTKCGOTVEIT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)cn3ccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTJDHVYDDGHPEG-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(C(=O)Nc3ccc(C(=O)NO)cc3)c3nccn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJMJIFFMAKZRHC-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)c3nccn3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BORFGHYYKFWWJV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)Nc2ccc(C(=O)NO)cc2)c2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AITXPHCZKQSXTI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)c2nccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGSUUNGOUHXJSO-CYBMUJFWSA-N", "SMILES:CCOc1ccc([C@@H](C)Nc2cc(N3CCN(C(C)=O)CC3)nc3nnnn23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQPNLCWDIBHOHU-CQSZACIVSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc(OC(C)C)c(Cl)c3)n3nnnc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCIGEZVCIDHMEH-CYBMUJFWSA-N", "SMILES:CCOc1ccc([C@@H](C)Nc2cc(N3CCN(C(C)=O)CC3)nc3nnnn23)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDMDVHONQVNIIB-CYBMUJFWSA-N", "SMILES:CCOc1ccc([C@@H](C)Nc2cc(N3CCN(C(C)=O)CC3)nc3nnnn23)cc1I"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSDJQQCJXFMDKH-OAHLLOKOSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nnnc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKZBQGCRWKDYJF-MRXNPFEDSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3ncnc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMYKHOMBQKJZAD-MRXNPFEDSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(C)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFPIRSNAGRARW-QGZVFWFLSA-N", "SMILES:CCc1nc2nc(N3CCN(C(C)=O)CC3)cc(N[C@H](C)c3ccc4ccccc4c3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RITWNBSFYDMBOJ-GOSISDBHSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(C(C)C)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5564655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMYATKASIZTVTB-QGZVFWFLSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(C4CC4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNRJJBPOCHDQRC-GOSISDBHSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(C4CCC4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCGFNVMUBMJNPD-LJQANCHMSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(C4CCCC4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSOPDTUJLBUUMK-HXUWFJFHSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(C4CCCCC4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5568965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVNDDBOIQIXIAY-HXUWFJFHSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(-c4ccccc4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAJPFNQVOFDSEC-LJQANCHMSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(-c4ccc(F)cc4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGEKGVBDPPRGIW-HSZRJFAPSA-N", "SMILES:CC[C@@H](Nc1cc(N2CCN(C(C)=O)CC2)nc2nc(C3CC3)nn12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOYPUHIKWUJXLW-AREMUKBSSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@@H](c3ccc4ccccc4c3)C(C)C)n3nc(C4CC4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5565330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLLIPOVVRFJCE-AREMUKBSSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@@H](c3ccc4ccccc4c3)C3CC3)n3nc(C4CC4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHBHTPUCMIYSCD-MRXNPFEDSA-N", "SMILES:C[C@@H](Nc1cc(N2CCNCC2)nc2nc(C3CC3)nn12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZEJKCFLQHZJSO-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1cc(N2CCN(C)CC2)nc2nc(C3CC3)nn12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSZNGRNYVLAKR-GOSISDBHSA-N", "SMILES:CCN1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(C4CC4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXYRTAMFTLAWEH-GOSISDBHSA-N", "SMILES:CCC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(C4CC4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNTRCFZHUJVNKZ-QGZVFWFLSA-N", "SMILES:COC(=O)N1CCN(c2cc(N[C@H](C)c3ccc4ccccc4c3)n3nc(C4CC4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTDSUNVBGCIFMV-GOSISDBHSA-N", "SMILES:C[C@@H](Nc1cc(N2CCN(C(=O)C3CC3)CC2)nc2nc(C3CC3)nn12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5571530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVPLQAMNASTHEV-LJQANCHMSA-N", "SMILES:C[C@@H](Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc2nc(C3CC3)nn12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYIBFBBLJLDLSC-MRXNPFEDSA-N", "SMILES:C[C@@H](Nc1cc(N2CCN(C(=O)C(F)(F)F)CC2)nc2nc(C3CC3)nn12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUOBKNKUSLWHLI-MRXNPFEDSA-N", "SMILES:C[C@@H](Nc1cc(N2CCN(C(N)=O)CC2)nc2nc(C3CC3)nn12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPSJYJFFXUZBBI-QGZVFWFLSA-N", "SMILES:C[C@@H](Nc1cc(N2CCN(C(N)=O)CC2)nc2nc(C3CCC3)nn12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDMDXEONQUZTMX-GOSISDBHSA-N", "SMILES:C[C@@H](Nc1cc(N2CCN(C(N)=O)CC2)nc2nc(C3CCCC3)nn12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRWZGITFVHFTN-LJQANCHMSA-N", "SMILES:C[C@@H](Nc1cc(N2CCN(C(N)=O)CC2)nc2nc(C3CCCCC3)nn12)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5567259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCADNWDNOJPOAO-GDLZYMKVSA-N", "SMILES:CC(=O)N1CCN(c2cc(N[C@@H](c3ccc4ccccc4c3)C3CCCCC3)n3nc(C4CC4)nc3n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRVKZCKZFTXGF-CYBMUJFWSA-N", "SMILES:CCOc1ccc([C@@H](C)Nc2cc(N3CCN(C(C)=O)CC3)nc3nnnn23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRLLQXQWNXDKAV-UHFFFAOYSA-N", "SMILES:Brc1ccc(C2=CC(c3cccs3)n3nnnc3N2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1163419", "category": ["biolink:ChemicalEntity"], "name": "TNP-ATP", "xref": ["InChIKey:LQZBDVDATBCNNN-UHEGPQQHSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]2OC3(O[C@H]21)C([N+](=O)[O-])=CC(=[N+]([O-])[O-])C=C3[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596234", "category": ["biolink:ChemicalEntity"], "name": "A-317491", "xref": ["InChIKey:VQGBOYBIENNKMI-LJAQVGFWSA-N", "SMILES:O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2cccc(Oc3ccccc3)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5562824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKFFNEABSLQYPM-MRXNPFEDSA-N", "SMILES:CCOc1ccc([C@@H](C)Nc2nc(N3CCN(C(C)=O)CC3)nc3c2CN(C(C)C)C3=O)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHPXNAROFOWIMP-HKBQPEDESA-N", "SMILES:COc1cc(N2CCN(C(=O)CCOCCOCCOCCNC(=O)[C@@H]3CCCN3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHLDVUUTMWSEMF-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)O)c(CCc2cccc3ccccc23)s1"]}
{"name": "COP9 signalosome complex subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL4105809"], "id": "UniProtKB:Q92905", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQXGOTVAWGPLTC-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Cc2sc(N)nc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYYRKHOAVHMIBU-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(Cc2sc(N)nc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGMYAEHICQEZFX-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2sc(N)nc2C(=O)O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIFLSFIPGOMVMO-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CCc2sc(N)nc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRAMFDNGRNTRJ-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)O)c(CCc2ccc(Br)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5573752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCKRAHHFOYQCX-UHFFFAOYSA-N", "SMILES:Nc1nc(C(=O)O)c(CCc2ccc(Cl)cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5574229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNKMDTXRMVZUEY-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(C)c2sc(N)nc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGIONQOYTNVOFU-UHFFFAOYSA-N", "SMILES:CC(Cc1ccc(C(C)(C)C)cc1)c1sc(N)nc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGHBWRDKJZSNOY-SECBINFHSA-N", "SMILES:COc1ccc2cc([C@@H](C)c3sc(N)nc3C(=O)O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4447716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWWYHKMOCXEJLJ-PMERELPUSA-N", "SMILES:Cc1ccc(-c2[nH]c3ncccc3c2CCC(=O)N2CCOC[C@H]2c2nc3ccccc3[nH]2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVLTWZHAUDSGN-QFIPXVFZSA-N", "SMILES:CCCOc1ccc(CNC(=O)N(Cc2ccn(C)n2)[C@H]2CCN(C)CC23CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGMNHREYQCHCG-ZEQRLZLVSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)[C@H]2CCN(C)C[C@@H]2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5563839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACGMNHREYQCHCG-RPWUZVMVSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)[C@H]2CCN(C)C[C@H]2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRKHYJZSCKWTF-VWLOTQADSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)[C@H]2CCN(C)CC23CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGGAPXYKOUETOQ-DEOSSOPVSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cn2)[C@H]2CCN(C)CC23CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5569065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIQILROYDQMRBR-QHCPKHFHSA-N", "SMILES:CC(C)COc1ccc(CNC(=O)N(Cc2ccn(C)n2)[C@H]2CCN(C)CC23CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVUFEAXEEVMRKL-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(CNC(=O)N(Cc2ccn(C)n2)C2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5572657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSFVENNIBGTQJE-QIBYHJKFSA-N", "SMILES:C=C1CC[C@@H]2[C@H](c3ccccc3)c3c(O)c(C=O)c(O)c(C=O)c3O[C@@]2(C)CC[C@H]2[C@H]1CC2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5570631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POUWCXHIRSNTHS-RSGMIBILSA-N", "SMILES:CC1(C)[C@H]2[C@H]3[C@@H](CC[C@]3(C)[C@@H](c3ccccc3)c3c(O)c(C=O)c(O)c(C=O)c3O)[C@](C)(O)CC[C@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5565151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVTHDNLPAQSIKW-NWZCAPDESA-N", "SMILES:C[C@@H]1CC[C@@H]([C@@H](c2ccccc2)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@]2(C)CC[C@@H](C(C)(C)O)C=C12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUWSYBIZVHHDNW-QOTXXRQZSA-N", "SMILES:C[C@@H]1COCCN1c1cc(C2([S@@](C)(=O)=NC(=O)CCc3cn(CCCCCCCC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)CC2)nc(-c2ccnc3[nH]ccc23)n1"]}
{"name": "ATPase family gene 2 protein homolog B", "xref": ["CHEMBL.TARGET:CHEMBL6067595"], "id": "UniProtKB:Q9BVQ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNWUUGRLOVBMPC-BYRISHOASA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNTJTZKWXHVTME-VEVVMTGTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRWPCONNTQANJA-MCJNZPIGSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJTMFHWUTDALCC-VBCMXDTLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGUZNEMXDLBTEP-HAKRZLOXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGRRKADIVYBCFO-DSVYHAMZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSCC(=O)NCCCC[C@@H](NC(=O)CC[C@@H](NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVFSJYUEWWTDK-ZLZZETJQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSCC(=O)NCCCC[C@@H](NC(=O)CC[C@@H](NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPKFUHRIWSYFTO-MMYQHUOYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXXUZLQSJLBJX-NWFPUUSWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXKPJTGTGBUORA-HOSRMERESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOZDVNUDVRKKU-IIXICVDISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYCFFQIINDIIHA-GRXFSQFTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQFWYSYVKLIVFU-MMYQHUOYSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKXUSZPXSRHGHE-JWKAYOJOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABYWRZIZNTYMRV-SYROORKXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVERHOYWAZDJQM-KHKPSQQCSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIJVMXRXTFNQOU-PRXOHEITSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTVNNBJBDABAEU-DMBFUKRHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULNWGHNYDOHHRS-LFTUUFLJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUBCUMXEOAPFCE-QZWOBVHZSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWIDPQPCWAAJCP-DQAZYZLLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMMSFSOHQYIBKR-DQAZYZLLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCRDUWAIQXBHE-LZHYKXBFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJOHTROHGPRFGL-DQAZYZLLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQEYOXCOVFEWGZ-XMWAXNHKSA-N", "SMILES:CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccc(F)cc5)[C@@]3(O)[C@H](O)C(CO)=C[C@H](C4=O)[C@@H]1C2(C)C"]}
{"name": "Bax inhibitor 1", "xref": ["CHEMBL.TARGET:CHEMBL5724791"], "id": "UniProtKB:P55061", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZNIUFCSSNXVSD-VXELRIQBSA-N", "SMILES:CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccc([N+](=O)[O-])cc5)[C@@]3(O)[C@H](O)C(COC(=O)c3ccc([N+](=O)[O-])cc3)=C[C@H](C4=O)[C@@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXQQRWIEOUAHBB-XYRFFTHOSA-N", "SMILES:CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)NCCC)[C@@]3(O)[C@H](O)C(CO)=C[C@H](C4=O)[C@@H]1C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4282466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEZDDYPHEHMXLF-YFQQJSGYSA-N", "SMILES:CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C[C@H](C4=O)[C@@H]1C2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5590853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOWUMQXZQIYTTP-GYRJOOAYSA-N", "SMILES:C#CCCC1(CCNC(=O)O[C@H]2C(C)=C[C@]34C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]23O)[C@@H]2C(C)(C)[C@]2(OC(=O)CCCCCCCCCCC)C[C@H]4C)N=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSINAZMQWFDQSD-VOTSOKGWSA-N", "SMILES:C/C=C(\\C)c1c(Cl)c(OC)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2"], "chembl_natural_product": true}
{"name": "Solute carrier family 2, facilitated glucose transporter member 4", "xref": ["CHEMBL.TARGET:CHEMBL1250410"], "id": "UniProtKB:P14142", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Solute carrier family 2, facilitated glucose transporter member 1", "xref": ["CHEMBL.TARGET:CHEMBL5724674"], "id": "UniProtKB:P17809", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XONRRGIRSGNWFP-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)/C(=N/c1ccc(Cl)cc1)NNc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POLIVONXIBVQNG-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)/C(=N\\Nc1ccc(Cl)cc1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVQHUZCBHDQXEI-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)/C(=N\\Nc1ccc(Cl)cc1)Nc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNVQUUMPYIGLKS-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)/C(=N\\Nc1ccc(Cl)cc1)Nc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3765123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKCAFSOYOMFQSL-UHFFFAOYSA-N", "SMILES:Cl.NOCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHRZWZDILASFM-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](CO)C(=O)NOCc1ccccc1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXLAYBCYRJZGKX-INIZCTEOSA-N", "SMILES:O=C(N[C@@H](CO)C(=O)NOCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTQXMAIXVFLYKF-UHFFFAOYSA-N", "SMILES:CC1=C(CCO)SC2=Nc3nc(C)ncc3CN21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5592559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEMHPTOKIWQUEM-DNTJNYDQSA-N", "SMILES:CCOC(=O)CC/C(C)=C/CCc1ccc2cc(OCc3ccccc3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXEGAMGMDDENAC-KBCNZALWSA-N", "SMILES:CNC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXFALORVHGHNIZ-KBCNZALWSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDUXUAAPPLNQJ-PDWCTOEPSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H](OC(F)(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNXNEMFYAUGMFX-SBJFKYEJSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@H](OC(F)(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOLDBAVMYDFVHK-PDWCTOEPSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H](OC(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCMKKIDHLLIRFP-SBJFKYEJSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@H](OC(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQTPLFBEESJXJI-ZUWCUPBKSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H](C(F)(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591580", "category": ["biolink:ChemicalEntity"], "name": "IBUZATRELVIR", "xref": ["InChIKey:WGNWEPPRWQKSKI-AIEDFZFUSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C(C)(C)C"], "synonym": ["Pf-07817883", "PF-07817883", "Ibuzatrelvir"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYTLONQPOWCAQI-XFIYOXNOSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQSNHTMXKHXQRH-AICCOOGYSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPNJVZOWXLPOB-QRJUGERDSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDLYYOHLCLRQBZ-WOXVELEUSA-N", "SMILES:COC(=O)N[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CC(O)NC1=O)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTIDKSLOGSVOF-QINIHQOHSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCNC(=O)COc1ccc(CNC(=O)/C(C#N)=C/c3ccc4ccccc4c3)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYAZVVVEDQXTR-UUACWIAKSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCNC(=O)COc1ccc(CNC(=O)/C=C/c3ccc4ccccc4c3)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSZOEVZJUFCXJT-FAIXQHPJSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCNC(=O)COc1ccc(CNC(=O)CCc3ccc4ccccc4c3)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXBZLRAWSKZKJV-QINIHQOHSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCNC(=O)COc1ccc(CNC(=O)/C(C#N)=C/c3ccc4ccccc4c3)cc1)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4245882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQFYSBFEDCARV-UHFFFAOYSA-N", "SMILES:CCCc1cc(C(=O)OC)c(NC(=O)C2CCN(C(C)=O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEPGXDKUHLALK-ISLYRVAYSA-N", "SMILES:Nc1ccc(/N=N/c2cccc(F)c2F)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXKWBCRFXFVMTI-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(O)c(C(=O)NCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPEIVVVSIWFZBG-UHFFFAOYSA-N", "SMILES:Cc1nc(C(=O)NCC(=O)O)c(O)c(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJZVYOQKXSJCJ-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2ccc(F)cc2)c(O)c(C(=O)NCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCRDRHRUSCHDBJ-UHFFFAOYSA-N", "SMILES:Cc1nc(CCc2ccc(F)cc2)c(O)c(C(=O)NCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEWULXUACBQAOC-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2ccccc2-c2ccccc2)nc(C(=O)NCC(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSXWLINZJNKGRQ-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2cccc(-c3ccccc3)c2)nc(C(=O)NCC(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNJLQAHYMHEWME-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2ccc(-c3ccccc3)cc2)nc(C(=O)NCC(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWCIYNITUQHCKT-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2ccc(Cl)cc2)nc(C(=O)NCC(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COSVVLAKJSWMCY-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2ccc(C(F)(F)F)cc2)nc(C(=O)NCC(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPMKLWIDFIMEX-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2ccc(C(C)(C)C)cc2)nc(C(=O)NCC(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDUOPPUHNPTJLU-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2ccc(-c3ccccc3)cc2)c(O)c(C(=O)NCC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFQSZZLYLQPFV-UHFFFAOYSA-N", "SMILES:Cc1nc(Cc2ccc(-c3ccccc3)cc2)nc(C(=O)NCC(=O)O)c1S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOAZZJYKEAELQZ-UHFFFAOYSA-N", "SMILES:CCc1nc(Cc2ccc(-c3ccccc3)cc2)nc(C(=O)NCC(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMHWXYIDQJDBV-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)c1nc(Cc2ccc(-c3ccccc3)cc2)nc(C(F)F)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYWXUQFWLXUCRU-AWEZNQCLSA-N", "SMILES:Cc1nc(Cc2ccc(-c3ccccc3)cc2)nc(C(=O)N[C@@H](C)C(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHZWNPISYLBAX-UHFFFAOYSA-N", "SMILES:Cc1nc(C(C)c2ccc(-c3ccccc3)cc2)nc(C(=O)NCC(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRSLAPDHFQGFO-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)c2ccc(-c3ccccc3)cc2)nc(C(=O)NCC(=O)O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBQXNNKJHMYRO-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cn[nH]c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMXMKVIGYUXRY-UHFFFAOYSA-N", "SMILES:CCN(c1cn[nH]c1)c1nc(C(N)=O)c(-c2ccc[nH]2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSJCBNDIADPTN-UHFFFAOYSA-N", "SMILES:Cn1cc(N(c2nc(C(N)=O)c(-c3ccc[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGLKYNIVMORJOQ-UHFFFAOYSA-N", "SMILES:CCn1cc(N(c2nc(C(N)=O)c(-c3ccc[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWXXFUAZHQRQV-UHFFFAOYSA-N", "SMILES:CCCn1cc(N(c2nc(C(N)=O)c(-c3ccc[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYALAAMJZBWKDE-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(N(c2nc(C(N)=O)c(-c3ccc[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDFANPFBBJWMTI-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(C3CC3)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLLJATQUARREHX-UHFFFAOYSA-N", "SMILES:C=CCn1cc(N(c2nc(C(N)=O)c(-c3ccc[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANADMVWDCWQOV-UHFFFAOYSA-N", "SMILES:C#CCn1cc(N(c2nc(C(N)=O)c(-c3ccc[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXIVFJVLTSWNKV-UHFFFAOYSA-N", "SMILES:CC#CCn1cc(N(c2nc(C(N)=O)c(-c3ccc[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXSHFODFZATULA-UHFFFAOYSA-N", "SMILES:CCC#CCn1cc(N(c2nc(C(N)=O)c(-c3ccc[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSPKPPWVNQJSOA-UHFFFAOYSA-N", "SMILES:N#CCn1cc(N(c2nc(C(N)=O)c(-c3ccc[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJBFQIDHOYHGJX-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(-c3ccccc3)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRIWCKRAACEBMJ-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1cc(N(c2nc(C(N)=O)c(-c3ccc[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSUDTIWGQWEICQ-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2cc(N(c3nc(C(N)=O)c(-c4ccc[nH]4)s3)C3CC3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAXJAQJIVQEAHD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(N(c3nc(C(N)=O)c(-c4ccc[nH]4)s3)C3CC3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFTFECHWHCOQPM-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(-c3ccccc3F)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHFRQOYOQGXSX-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(-c3cccc(F)c3)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYCOZNHPRBLXEJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(-c3ccc(F)cc3)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNDCQVKXHHLII-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(-c3ccccn3)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUONDPYVKRYHEX-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(-c3cccnc3)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJKFHGASMEIAM-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(-c3ccncc3)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWXFVUDJCSEUEI-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(-c3ncccn3)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSHYABJHACXZLS-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(-c3ccncn3)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZLULHBMICPFPG-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cnn(-c3ccncc3F)c2)C2CC2)sc1-c1ccc[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNQGQLHIYIXOFO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2sc(N(c3cn[nH]c3)C3CC3)nc2C(N)=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXEGSGZHHMQVAG-UHFFFAOYSA-N", "SMILES:CCc1ccc(-c2sc(N(c3cn[nH]c3)C3CC3)nc2C(N)=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPONGKDFFMSDCT-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c(-c2sc(N(c3cn[nH]c3)C3CC3)nc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVFZZGKLODVJNJ-UHFFFAOYSA-N", "SMILES:CCc1c[nH]c(-c2sc(N(c3cn[nH]c3)C3CC3)nc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZRQZCJPJKAAOA-UHFFFAOYSA-N", "SMILES:CC(=O)c1c[nH]c(-c2sc(N(c3cn[nH]c3)C3CC3)nc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJUFEQFVUFBYFY-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)c1c[nH]c(-c2sc(N(c3cn[nH]c3)C3CC3)nc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGDJLKHNFELEF-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)c1c[nH]c(-c2sc(N(c3cn[nH]c3)C3CC3)nc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHWIFZYZBURKJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cn[nH]c2)C2CC2)sc1-c1cc(C(=O)C2CC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLSCWCMKYHZEOP-UHFFFAOYSA-N", "SMILES:NC(=O)c1nc(N(c2cn[nH]c2)C2CC2)sc1-c1cc(C(=O)c2ccccc2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHTCHCUICJOIGJ-UHFFFAOYSA-N", "SMILES:COc1cnccc1-n1cc(N(c2nc(C(N)=O)c(-c3cc(C(C)=O)c[nH]3)s2)C2CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCEHAYINFMPPPM-UHFFFAOYSA-N", "SMILES:CC(=O)c1c[nH]c(-c2sc(N(c3cnn(-c4ccncc4F)c3)C3CC3)nc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKGFEAEVZNOAR-UHFFFAOYSA-N", "SMILES:CC(=O)c1c[nH]c(-c2sc(N(c3cnn(-c4ccncc4CO)c3)C3CC3)nc2C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKNMKLOFAQHPSM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnc2ccc(Cc3ccccc3)cc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL270717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNCDBLPXXVWRGR-UHFFFAOYSA-N", "SMILES:O=C(O)c1c[nH]c2ccc(Cc3cccc(Cl)c3F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZIAZOQBKIGPGH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(CCO)c2ccc(Cc3cccc(Cl)c3F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMPRLLGEFLMBDW-ODGZPJQYSA-N", "SMILES:C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFXHTFBTWGHHQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4543090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSCIYRUDJIFMOT-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWHQMSMLWVYUDX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4476261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYXUGQDHTWRPDY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYXUGQDHTWRPDY-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSCQUFHIVYUDY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)Nc4ccccc4N)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGBAHBLHCKPPL-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)Nc4ccccc4O)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSGHEKOKQLBIV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)Nc4ccccc4SC)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXHAQHJNXUYWBM-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(NC(=O)c4ccccc4N)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHVYEYQUFARGLP-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(NC(=O)c4ccccc4O)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIYSGTXFWRSMFP-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(NC(=O)c4ccccc4SC)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKKZZNCDKMVMQR-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(NC(=O)c4ccccn4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDDVUIJBIOZER-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc2ccn(Cc3ccc(OC)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWSYXHHQFATGNY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)C(F)(F)F)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEFOBURSVGWEZ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)NCCO)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFJJSEIUAHIRNP-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)NCC(C)O)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCTUKNNFLJQLCC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(-c4noc(=O)[nH]4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCHRMJSMMKWAY-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(-c4noc(=S)[nH]4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSZALAOLTGAXAV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)c4nccs4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULGMNJHNTXXWPW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)c4cc(C)on4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHDSCLXQBSJGHC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(C(=O)NS(=O)(=O)N(C)C)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHBLAOHDXOMRRQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(/C(N)=N/O)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBJXYKUVNOSDG-UHFFFAOYSA-N", "SMILES:CCC(=O)Cc1ccc2ccn(Cc3ccc(OC)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGLXIWGBYYVPLQ-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2ccc3ccc(CC(=O)NO)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFWNERIMAUEHNN-UHFFFAOYSA-N", "SMILES:NC(Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODEJCZKRNICMAE-UHFFFAOYSA-N", "SMILES:Cc1c(Br)c(C)n2c1C=C1C=C(Br)C(CCC(=O)NCCCCCCNC(=O)c3ccc(S(N)(=O)=O)cc3)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTSLYWMADUYWFD-UHFFFAOYSA-N", "SMILES:Cc1c(I)c(C)n2c1C=C1C=C(I)C(CCC(=O)NCCCCCCNC(=O)c3ccc(S(N)(=O)=O)cc3)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUXYQPPRLMJQDG-ACRUOGEOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBZAOPVYXLWPRV-FKBYEOEOSA-N", "SMILES:CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVEGNUVKLIOTKC-HJOGWXRNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZBMLQRNQRDYCJ-HJOGWXRNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXMRFABCUNVKLL-VABKMULXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cc[n+]([O-])cc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEZQZVDQCXBNU-VABKMULXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc[n+]([O-])c1)NC(=O)OCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIZWBZRTDSNTPK-SDHOMARFSA-N", "SMILES:Cc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](B(O)O)C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJDFQXCGURAAEO-HJOGWXRNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)OCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REAYOYHJJQVLHX-HJOGWXRNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZABVAYTOVABDF-HJOGWXRNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNOLXETXAAVULJ-HJOGWXRNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)OCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZDMKIOOFSTKR-GSDHBNRESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NCCCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWPKWTQWDZNQAQ-GNKBHMEESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)CCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXZCQBVFKXULSG-HJOGWXRNSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)NCc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJFUPYBDAMTKA-GSDHBNRESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)C(C)(C)Cc1ccccc1)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKNNXHOSJNNLKZ-QKDODKLFSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)C(C)(C)Cc1ccccc1)C(=O)N[C@H](B(O)O)C1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGJCOYISTREYDO-SLJYAKFTSA-N", "SMILES:CSCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](B(O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOGMOMOIVJOMPM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OC(=O)COC(=O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWZRAKKNICILEI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OC(=O)COC(=O)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJKHROAWRZBWEE-VQHVLOKHSA-N", "SMILES:Cc1ccc(C(C)C)cc1OC(=O)COC(=O)/C=C/c1ccc(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSFDBPTJUKRKX-UHFFFAOYSA-N", "SMILES:CNC(=O)COc1cc(C(C)C)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHFGOIZLVOOKJI-UHFFFAOYSA-N", "SMILES:CCCNC(=O)COc1cc(C(C)C)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMUVDOUBCZRNBL-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)COc1cc(C(C)C)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQIWWJXMJNKBO-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(=O)N(C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYLWGHHENUEULW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(=O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYTYKFDEXNFOSZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(=O)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOTSTOXUEPONQT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(=O)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLQKBNIMJUBBCW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(=O)NCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCVVFAKYNZZIBG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(=O)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPEPWBOFQOUJPZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(=O)NCCC1=CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGQSKNFGHKKWCE-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)COc2cc(C(C)C)ccc2C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXXIVSWTJVQUHX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFPVGCZTHNVXTJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(=O)NCCN1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOVKZHWKOUZMPI-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(=O)NCCNc1cccc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXURYPODZMHGG-UHFFFAOYSA-N", "SMILES:C=CCNCC(O)COc1cc(C(C)C)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDIOPSMWYUORMT-UHFFFAOYSA-N", "SMILES:CCN(CC)CC(O)COc1cc(C(C)C)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWNSERNFKZUVCP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(O)CNC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHIDOXYAIAWZHP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(O)CNCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODOMHGXKXAZSA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(C)C)cc1OCC(O)CNCCC1=CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSQQITZPYYGXOP-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1cccc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPXENVQXGKGJT-VWLOTQADSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQAZUFQBREUNE-QHCPKHFHSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEXOQHRSIFKVDQ-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFZOJXMAOLVAEP-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNYTYBJMSCQJM-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBMTYXCYPRGLHP-VWLOTQADSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUPBGURLKUSNTN-VWLOTQADSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJAMTADUSUZFG-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFXOUKKWCLLZOV-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFFFOALCTVDIGH-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIKCMYARZMOMH-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUISSXSVOBKEJ-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccc(F)cc2)nn1Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNKQTSKTJFMXOW-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccc(Br)cc2)nn1Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWOCGYHYTVYGMT-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2cccc(Br)c2)nn1Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEBKJXMMGFMFAO-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2Br)nn1Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYPVKHQWMTTCR-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2Cl)nn1Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUBMGICAHTPMK-DEOSSOPVSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2cccc(Cl)c2)nn1Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMHVYNBDFYOCJK-QHCPKHFHSA-N", "SMILES:CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2[N+](=O)[O-])nn1Cc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFFKARYWSKLSMW-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(C(=O)NCCCCCC#Cc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INIIHBVCPHKGHG-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(C(=O)NCCC#Cc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNCMNRLGBNPED-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(C(=O)NCCCC#Cc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOFFGRSSPVXEW-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(C(=O)NCCCCC#Cc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGGLPZQOCNURFH-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(C(=O)NCCCCCC#Cc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIYSEBHHSBKGIO-UHFFFAOYSA-N", "SMILES:N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(C(=O)NCCCCC#Cc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQBEAKKCSBHER-UHFFFAOYSA-N", "SMILES:Nc1nc(SCC(=O)c2ccccc2)nc2sc3c(c12)CCN(Cc1ccccc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGAKSMYTWYVAJ-UHFFFAOYSA-N", "SMILES:CC(C)C1(O)c2ccccc2-c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDKFLRSEIXQVSM-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)c2ccccc2-c2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHMIYXFVMBDJKT-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)c2ccccc2-c2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAADXTVEUOSSFK-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVIOTIVRIDBMS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJYHKWOQHMFGM-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)c2ccccc2-c2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJBIJBYVRWHER-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)c2ccccc2-c2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3639704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXDCAWKGPDAZEJ-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1-c1ccccc1C2(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STXAPIKTOCNBKD-UHFFFAOYSA-N", "SMILES:COC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUWFPBFDQYCMED-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNIHBFXNCTFCH-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)c2ccccc2-c2c(-c3cccnc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3676647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNLJDCWSBWFFTI-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)c2ccccc2-c2c(-c3cncnc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEYUWLRMMBRSBI-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)c2ccccc2-c2c(-c3cnco3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3676611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEINOJSOCXJQMT-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBIVRAXUMKPCG-UHFFFAOYSA-N", "SMILES:CC(C)(C)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3676757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHRKDSDAJWKHJ-UHFFFAOYSA-N", "SMILES:OCCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAXPDMPEHJBDJZ-UHFFFAOYSA-N", "SMILES:CNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBRJUUPUJYTHRF-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONDOEOHVFSWVLR-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3671682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHEOLUJRLMVRPP-UHFFFAOYSA-N", "SMILES:OC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccccc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3676618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSZKCXNKKKHHSO-UHFFFAOYSA-N", "SMILES:OCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3676606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDXNQXWAWPRUDW-UHFFFAOYSA-N", "SMILES:O=C(O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHUGFIHRYIOPPC-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQBSJLQJIDSTD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVQODSMTYLUGV-UHFFFAOYSA-N", "SMILES:OCCn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3681688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEUDACDOZNWCHD-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITTXKNUVPPNQFN-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAAWKFXODVGCAR-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N2CCCC2)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBVOJBJXLHEWPB-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N2CCCCC2)c1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKBILLMRRZGNTP-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJUHPRQAUZYLY-UHFFFAOYSA-N", "SMILES:Cc1cc(N(C)C)n2ncnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGRBQTFBADUOBG-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHMEXBGLMRQBW-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJLCMJLBDSBITL-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAVGQCRVFRCDQN-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHYVLQLZUYSRKD-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJCJPPYJQMCKQD-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTWDOQRDYOXWPJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cc2c(C)nc3ncnn3c2N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRMHVLWWBVFZGA-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBFVQTNYPJCOHO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(Cc2c(C)nc3ncnn3c2N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTDYHLGVZPCTI-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQIQPIHCBTKIX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Cc2c(C)nc3ncnn3c2N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAVLOVPVLLSGCF-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1ccccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVMYTUHZRZRVGD-UHFFFAOYSA-N", "SMILES:COc1ccc(Cc2c(C)nc3ncnn3c2N(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDSCBZOKSMIBGK-UHFFFAOYSA-N", "SMILES:COc1cccc(Cc2c(C)nc3ncnn3c2N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYADPSVGAMYKRB-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(N(C)C)c1Cc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REKBZIINVKBDJD-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(NCc2cccnc2)c1Cc1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRAGLLHTHJHMSS-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(NCc2ccccc2)c1Cc1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPGABATVEBFSSL-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(NCc2ccc(C(=O)O)cc2)c1Cc1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVHDAALXWYXFOY-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(NCCCC(=O)O)c1Cc1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLEQXWRJGLVUQM-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2c(NCCCCC(=O)O)c1Cc1cccc(N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKFZUPGMFKEJP-UHFFFAOYSA-N", "SMILES:CCNc1c(Cc2ccccc2)c(C)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWMYDXRUILXXIT-UHFFFAOYSA-N", "SMILES:CCCNc1c(Cc2ccccc2)c(C)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAGDNVIOQIQHII-UHFFFAOYSA-N", "SMILES:C#CCNc1c(Cc2ccccc2)c(C)nc2ncnn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJPOAGZXUPAERB-ZQGJOIPISA-N", "SMILES:COc1ccc(Cn2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3cc(C)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTIABZFIOSVMTB-UHFFFAOYSA-N", "SMILES:COc1cc2c(=O)cc(-c3cccc(Br)c3)[nH]c2c2c(OC)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4456952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCQYCVMSWZNNRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(=O)c3cc(OC)c4cccc(OC)c4c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL266995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDTZOBIXVNHHCR-UHFFFAOYSA-N", "SMILES:Oc1cc(O)c2c(O)c(-c3cccc(Cl)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEDVZPTRHFYOX-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(O)c(-c3cccc(Cl)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REFWSHQGNKPYHH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(=O)c3ccccc3s2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCTBSAVNHXJNFR-CQSZACIVSA-N", "SMILES:CC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CN4CCN(S(C)(=O)=O)C[C@H]4C)oc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPNRBXVIUPSDJ-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3cccc(CS(C)(=O)=O)c3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVMQEAYMQRXCPP-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3cccc(NS(C)(=O)=O)c3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZFLGRAVZYFGBB-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccccc3OCC3CC3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIMTXVMZWCCHMG-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3cc(NS(C)(=O)=O)ccc3OCC3CC3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZGKDZLEYPONV-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3nccnc3OCC3CC3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQODQNSFZKRZIC-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccn(C)n3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJYBADUHHJIETJ-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3nc(Cl)cn3CC3CCOCC3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGXYNRUOVHTASG-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3nc(Cl)c(Cl)n3CC3CCOCC3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHUVUTPEFMZQJN-MRXNPFEDSA-N", "SMILES:C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3cc(Cl)nn3CC3CCOCC3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUARJLHFFKZHAI-QGZVFWFLSA-N", "SMILES:C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccccc3OCC3CC3)c2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCQEDVRGDZCTD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccccc2OCC2CC2)c2nn(CC3CCN(S(C)(=O)=O)CC3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBNMEKPWJGUKCI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nccnc2OCC2CC2)c2nn(CC3CCN(S(C)(=O)=O)CC3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWYZJVLASGDEQD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2nc(Cl)cn2CC2CCOCC2)c2nn(CC3CCN(S(C)(=O)=O)CC3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHHCVGRRSLMHIL-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(C)c(=O)c3cn(CC4CCN(S(C)(=O)=O)CC4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXGZVULSEFHJSP-SFHVURJKSA-N", "SMILES:Cn1ccc(-c2cn(C)c(=O)c3cn(C[C@H]4CCN(Cc5ccccc5)C4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLHRXRDSNIJDT-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2cn(C)c(=O)c3cn(CC4CCCCN(C(=O)NC5CCCCC5)C4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYZAIZWLYSMRFI-UHFFFAOYSA-N", "SMILES:CN1CCN(C(=O)NC2CCCCC2)CC(Cn2cc3c(=O)n(C)cc(-c4ccn(C)n4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZFJCROMQNFGV-UHFFFAOYSA-N", "SMILES:CN1CCC(C(=O)NC2CCCCC2)CC(Cn2cc3c(=O)n(C)cc(-c4ccn(C)n4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXBHIVDIUGJUKJ-UHFFFAOYSA-N", "SMILES:CN1CCC(C(=O)N(C)C2CCCCC2)CC(Cn2cc3c(=O)n(C)cc(-c4ccn(C)n4)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTOPGNBTORKABO-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2cn(C)c(=O)c3cn(CC4CC(C(=O)NC5CCCCC5)CCN(C)C4)nc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYZAJOCFJDOSLF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVITXJMCYHCFL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPQPCQJBYPRPC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3353409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCHHBDZWKNCHCB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQQGPGAQPJEOIN-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIRTYAAQUXGTMC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C4COC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDDDOSRSGQRNL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3csc4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUKQOFGNAAKBZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)CC(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSFPXDSYUOCAC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQEAHUPAJLHLCV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKLVWJZDKNYYDZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOWKNWCUXGNGFV-UHFFFAOYSA-N", "SMILES:C=CCCN(C)CCN(C)c1cc(OC)c(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRAIQKBXYKJLKW-UHFFFAOYSA-N", "SMILES:N#Cc1ncc(C(=O)NCc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSHAYFDZIOIKII-KRWDZBQOSA-N", "SMILES:C#CCCCNC(=O)c1ccc(-n2cnc(NC(=O)[C@H]3CCN(C#N)C3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEYYPLAULVPYIK-IBGZPJMESA-N", "SMILES:Cc1nn(C)c2cc(-c3ccc(-n4cnc(NC(=O)[C@H]5CCN(C#N)C5)c4)cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNJQQBUZURQMA-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1ccccc1-c1ccc(C(=O)N2CCC(O)(Cn3cnc4c(cnn4C)c3=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOHREPIPUDABBB-UHFFFAOYSA-N", "SMILES:OCc1nnn(Cc2cccc(Br)c2)c1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHRWLFHNBCNINV-UHFFFAOYSA-M", "SMILES:C=Cc1ccc(C[n+]2cn(Cc3ccc(SC)cc3)c3ccccc32)cc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGZURBNENGSKAJ-UHFFFAOYSA-N", "SMILES:COc1cc2ccc(C(=O)NCCCCc3ccc(O)c(O)c3)cc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMBFNJSNCGNIDC-LQKURTRISA-N", "SMILES:Cc1c(/N=C/c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)c(=O)n(-c2ccccc2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTQODFJTDYUYJV-UHFFFAOYSA-N", "SMILES:O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCSC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1774612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATHWOBRNXTYZEM-BJMVGYQFSA-N", "SMILES:COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(OC)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5593003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDOBUQHLAUPZSL-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2cnc(-c3ccc(Br)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVYQZNWDHZGMS-UHFFFAOYSA-N", "SMILES:CCn1c(O)c(C(c2ccc(Br)cc2)c2c(O)n(CC)c(=S)n(CC)c2=O)c(=O)n(CC)c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIAQALALNSNKM-UHFFFAOYSA-N", "SMILES:O=C1CCC(Nc2nc3cc(C(=O)Nc4cc(O)c(O)c(O)c4)ccc3n2Cc2ccc(O)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTRJOEZPTJRJOB-DAFODLJHSA-N", "SMILES:Oc1ccc(/C=C/c2cc(O)cc3oc(-c4ccc(O)cc4)c(-c4cc(O)cc(O)c4)c23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5593384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJKIQAXEUIZZKC-JHNKSSHFSA-N", "SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4/c3=N\\Nc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNHLEKUVJKRAMW-QZQOTICOSA-N", "SMILES:Nc1ccc(O)c(/N=N/c2ncc(-n3cc4c(=O)ncnc-4[nH]3)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHZWLMZPXABOKA-UHFFFAOYSA-N", "SMILES:N#Cc1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(C#N)c(C(=O)O)c4)cc3)cc2)cc1C(=O)O.[Cl-].[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4071209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIDQATYLALSAEG-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)C(=O)N2CCn1cc(COc2cc(=O)oc3ccccc23)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPYZOASLVZQTCB-HFWFNTOTSA-N", "SMILES:COc1ccc([C@@H]2C/C(=N\\c3ccc([N+](=O)[O-])cc3Cl)c3c(O)cc(O[C@H]4O[C@@H](O[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)cc3O2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1224512", "category": ["biolink:ChemicalEntity"], "name": "HISPIDIN", "xref": ["InChIKey:SGJNQVTUYXCBKH-HNQUOIGGSA-N", "SMILES:O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1"], "chembl_natural_product": true}
{"name": "Secretory phospholipase A2 receptor", "xref": ["CHEMBL.TARGET:CHEMBL3713395"], "id": "UniProtKB:Q13018", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL11440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIJMHCCGPUSELZ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4648616", "category": ["biolink:ChemicalEntity"], "name": "MEZIGDOMIDE", "xref": ["InChIKey:YTINZZFBHWSAGL-NDEPHWFRSA-N", "SMILES:N#Cc1ccc(N2CCN(Cc3ccc(COc4cccc5c4CN([C@H]4CCC(=O)NC4=O)C5=O)cc3)CC2)c(F)c1"], "synonym": ["Mezigdomide", "Cc-92480", "Mezigdomide", "CC-92480", "CC92480", "Mezigdomide"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGYZCMGVZKIPJ-UHFFFAOYSA-N", "SMILES:CC(CO)CC(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1097205", "category": ["biolink:ChemicalEntity"], "name": "BORNEOL", "xref": ["InChIKey:DTGKSKDOIYIVQL-UHFFFAOYSA-N", "SMILES:CC1(C)C2CCC1(C)C(O)C2"], "synonym": ["Borneol", "(+/-)-borneol", "(+/-)-isoborneol", "2-borneol", "Bingpian", "Borneol", "Borneol, dl-", "Borneolum syntheticum", "Camphol", "Endo-borneol", "Hechenglongnao", "FEMA NO. 2157", "NSC-60223"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL593902", "category": ["biolink:ChemicalEntity"], "name": "AP18 5", "xref": ["InChIKey:MHTJEUOFLVQMCL-NJHPPEEMSA-N", "SMILES:CC(=C\\c1ccc(Cl)cc1)/C(C)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGYZCMGVZKIPJ-GHMZBOCLSA-N", "SMILES:C[C@@H](CO)C[C@@H](C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVHXXMHMQYUMOB-CSKARUKUSA-N", "SMILES:C/C(=C\\C(C)c1ccccc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKHDURSNHJWXRZ-UHFFFAOYSA-N", "SMILES:CC(CO)C(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTVXWSMKXIYQP-XFXZXTDPSA-N", "SMILES:CC/C(=C/C(C)c1ccccc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNTVXWSMKXIYQP-FMIVXFBMSA-N", "SMILES:CC/C(=C\\C(C)c1ccccc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYBZRZVYXNPFGS-UHFFFAOYSA-N", "SMILES:CCC(CO)CC(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBARHQQFLPIUTB-UHFFFAOYSA-N", "SMILES:CC(CCO)CC(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYEXAXFLKABKLW-XNWCZRBMSA-N", "SMILES:C/C(=C\\Cc1ccc(F)cc1)CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRRLTYRSAJCPA-UHFFFAOYSA-N", "SMILES:CC(CO)C(C)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDCBWQCTQSTKJY-UHFFFAOYSA-N", "SMILES:CCC(O)C(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKGOYTNWKHESNU-UHFFFAOYSA-N", "SMILES:CC(C)C(O)C(C)(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCGBVACYAGHPAM-STQMWFEESA-N", "SMILES:C[C@]1(O)CCC[C@H](c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVHFMTHHXSHKJL-PKNBQFBNSA-N", "SMILES:CCC(/C=C(\\C)CO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIAWXSYTBLMEID-KTKRTIGZSA-N", "SMILES:C/C(CO)=C(\\C)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKPBBBOULQXHTE-UHFFFAOYSA-N", "SMILES:CC(O)C(C)(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQTSUDONSIEYQP-UHFFFAOYSA-N", "SMILES:CCC(O)C(C)(C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYXNXGVLGKVCJ-FBIMIBRVSA-N", "SMILES:CC1(C)[C@@H]2CC[C@@]1(C)[C@](C)(O)C2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL335538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUYVUBYJARFZHO-RRKCRQDMSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5595326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUKQJMUABAAKF-UOXFVHDKSA-J", "SMILES:C[Se][C@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O[C@H]1n1cnc2c(N)ncnc21.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1383", "category": ["biolink:ChemicalEntity"], "name": "DDA-TRIPHOSPHATE", "xref": ["InChIKey:OAKPWEUQDVLTCN-NKWVEPMBSA-N", "SMILES:Nc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1"], "synonym": ["2',3'-ddatp", "2',3'-dideoxy-atp", "2',3'-dideoxyadenosine triphosphate (ddatp)", "Dda-triphosphate", "Ddatp"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL436283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBXBICVKLVYNKD-XFTNXAEASA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRTAELXWQXVWDU-QJHYDDFTSA-N", "SMILES:N=C(N)NCCC[C@H]1/C=C/[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDAQICJPZFRFFI-GSLNXUMMSA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)/C=C/1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SICITCLFXRGKJW-IIZANFQQSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXLLSAJIBGFOMA-PUYPYBLKSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)/C(Cl)=C/N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYWLDFNOKGBRHE-APMFGMRCSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1201217", "category": ["biolink:ChemicalEntity"], "name": "DYCLONINE", "xref": ["InChIKey:BZEWSEKUUPWQDQ-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1"], "synonym": ["Dyclonine", "Dyclonine", "Diclonina", "Dyclonine", "Dyclonine"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5589596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXMWQAXYHFYSNS-UHFFFAOYSA-N", "SMILES:CCn1c(C)nc2c(F)cc(-c3nc(Nc4ccc(CNC(=O)CCCCCCC(=O)NO)cc4)ncc3F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4205534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMLODMDZGUOPD-CXUHLZMHSA-N", "SMILES:O=C(N/N=C/c1ccc(O)cc1)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXKZTXWJCDQRKR-LZYBPNLTSA-N", "SMILES:O=C(N/N=C/c1ccc(O)c(O)c1)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXFMCCBXJMQNL-RQZCQDPDSA-N", "SMILES:COc1ccc(/C=N/NC(=O)c2nc3ccccc3[nH]2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUOJPAYZEHWIGH-VCHYOVAHSA-N", "SMILES:COc1cc(/C=N/NC(=O)c2nc3ccccc3[nH]2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFBVGWCTHYOPNY-CAOOACKPSA-N", "SMILES:COc1cc(/C=N/NC(=O)c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWMJHOCXTSJMMG-CAOOACKPSA-N", "SMILES:O=C(N/N=C/c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2042801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWEDWTTYILNMGD-ZMOGYAJESA-N", "SMILES:COc1ccc2cc(O)c(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL242863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBQCWSGRNIOFFC-NSHDSACASA-N", "SMILES:O=C(O)[C@@H]1CCCN1C(=O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHVJUTLRTHDAOG-UHFFFAOYSA-N", "SMILES:NC(=O)Nc1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5595061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQFKCVPCTWTEDI-CZQYEKOJSA-N", "SMILES:C=CCCCCCC1OC1C/C=C\\C/C=C/CC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5591678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HALACWXBMNGSTM-FQEVSTJZSA-N", "SMILES:O=C(CCc1ccccc1)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYDISZVUDDJOI-UHFFFAOYSA-N", "SMILES:Cc1cccc2oc(S)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVNWXZRBBCASB-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(S)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNMGQRVKDRTCRQ-MTJSOVHGSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULUOOFIIFRVQW-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNQBGZQALMDBLU-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3cccc(F)c3)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USOZWYNTHPTMDM-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNPHURTRZMUMS-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFWCERQDYKYHA-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3cccc(Cl)c3)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYMAXJHEQAGKP-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3ccccc3Br)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWSUTSHFSVZFBE-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3cccc(Br)c3)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSPXYFLTUSAGKP-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHRFUPHEKDDURX-UUYOSTAYSA-N", "SMILES:COc1cccc(COc2ccc(/C=C3\\Oc4cc(O)ccc4C3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULMFBDLKPSNAPQ-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLDJJQBSKOWAT-MTJSOVHGSA-N", "SMILES:O=C1/C(=C/c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNKWMQJWRBTXSB-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2cccc(OCc3ccccc3F)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGHFUDMQSPYWRG-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2cccc(OCc3cccc(F)c3)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQQLAZMITIKHNZ-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBKWMAOZCHJLIV-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPLUBCJOXYHRI-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPXJTKPDBLGJDU-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJJXIEOGLJSBBW-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2cccc(OCc3cccc(Br)c3)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOARXSMERVWTKR-NHDPSOOVSA-N", "SMILES:O=C1/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)Oc2cc(O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLTSTYAECRXBDS-UUYOSTAYSA-N", "SMILES:COc1cccc(COc2cccc(/C=C3\\Oc4cc(O)ccc4C3=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGOPTESGPYJSBC-NVNXTCNLSA-N", "SMILES:COc1ccc(/C=C2\\Oc3cc(O)ccc3C2=O)c(OC)c1OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5083143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFLJVBPCONQSQW-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNGDSLDIOAICSE-UHFFFAOYSA-N", "SMILES:c1cnc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZXHYPDAQAEAKY-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEVVDJCRLJUDBW-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PISUPWGJJGVRQG-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYLOPUPJEROAMH-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAOSBZJJVIHSQI-UHFFFAOYSA-N", "SMILES:c1ccc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)cncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDBDZEBZXYQPTJ-UHFFFAOYSA-N", "SMILES:c1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLSZJPFQDRDPI-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4c(-c5ccnc6[nH]ccc56)coc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKNLRRDTWJWIS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4c(-c5csc6ccccc56)coc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXWNWRGNUGMRT-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIDBPSOIVPMQGT-UHFFFAOYSA-N", "SMILES:c1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKDBOJCTMDJVMH-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXMKDTWGFLBPKB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITRDMWUZJMBHJF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVOJVOHBYLNVCM-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4c(-c5ccc(NC(N)=O)cc5)coc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSAUZUYGDAHMLS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4c(-c5ccc(CO)cc5)coc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJIRLUWVMCLWFU-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSRPGIYEJZLMKH-UHFFFAOYSA-N", "SMILES:c1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2ccncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMLFWTDHYNRGTR-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2coc3cc(-c4ccc(N5CCN(C)CC5)cc4)cnc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYUNRLZOSIBOCG-UHFFFAOYSA-N", "SMILES:c1ccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYPLQDLOHHSGA-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAEPODZCEXUPGK-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4c(-c5ccccc5)coc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIQMCUFXUGRAE-JFLMPSFJSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4c(-c5cccc(/C=N/O)c5)coc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBMZULNXYBJLL-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4c(-c5cccc(S(C)(=O)=O)c5)coc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUCMFAIBZKUGQC-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cnc3c(-c4ccncc4)coc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDAWDOGEVCHNKR-UHFFFAOYSA-N", "SMILES:c1cc(-c2coc3cc(-c4ccc(N5CCCCC5)nc4)cnc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAFVWPJWJOEATK-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)c1coc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4517408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBYYWVZFBATHQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5303363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFJOMSKCDAOJBT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc(-c3ccc(N4CCN(C(C)C)CC4)cc3)c2C)cc(F)c1C(=O)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQGNAPSWXZIOAK-UHFFFAOYSA-N", "SMILES:CNCCCOc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGBDXKMMWDOSZ-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKSOAEUYXYQCJI-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=S(=O)(c1ccc(OCCCN2CCCC2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQBUVPLMKSCTDI-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=S(=O)(c1ccc(OCCCn2ccnc2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGKDARVNGOZAFE-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=S(=O)(c1ccc(OCCCN2CCCCC2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTBKQYGUNYEGEJ-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=S(=O)(c1ccc(OCCCN2CCOCC2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYBJKCUHDXQKSI-UHFFFAOYSA-N", "SMILES:CNCCCNc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBLEQADYMLUPM-UHFFFAOYSA-N", "SMILES:CN(C)CCCNc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPBCZZRHTSPLCF-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(c1ccc(NCCCN2CCCC2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMSSFIYDSGDPSN-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(c1ccc(NCCCn2ccnc2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMXHVQKPXDFEKO-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(c1ccc(NCCCN2CCCCC2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RANCRFTWPHPFFR-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(c1ccc(NCCCN2CCOCC2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXMHFCNKUDJEKT-UHFFFAOYSA-N", "SMILES:CN(C)CCCN(C)c1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWVZIFQMVBBFBO-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(c1ccc(NC2CCNCC2)cc1)N1c2ccccc2Oc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBRQDEVTIVWRQL-UHFFFAOYSA-N", "SMILES:COCCCOc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL190", "category": ["biolink:ChemicalEntity"], "name": "THEOPHYLLINE ANHYDROUS", "xref": ["InChIKey:ZFXYFBGIUFBOJW-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2[nH]cnc2n(C)c1=O"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL493287", "category": ["biolink:ChemicalEntity"], "name": "GLUCOSAMINE", "xref": ["InChIKey:MSWZFWKMSRAUBD-IVMDWMLBSA-N", "SMILES:N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O"], "synonym": ["Glucosamine", "Glucosamine", "Glucosamina", "Glucosamine", "Glucosamine", "Chitosamine", "Glucosamine", "Mediflex", "Glucosamine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL444125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFHBZSHGGEWLO-SOOFDHNKSA-N", "SMILES:OC[C@H]1OC(O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5583597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFYGEASHCLUZMH-UHFFFAOYSA-N", "SMILES:CC(=O)N(O)CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYWHYPNNRHKHIC-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O)OC(C)c1ccccc1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWCAFGLNJBDQY-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O)OCc1ccc(C(C)C)cc1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPAKZNCMAWLRK-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O)OC(C)c1ccc(Cl)cc1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKOTZOOHUSCMBE-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O)OC(C)c1ccc(C)cc1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRXYUICLMYGFBI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(C)ON(CCC(c2ccc(Cl)c(Cl)c2)P(=O)(O)O)C(C)=O)cc1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMINSUZTPDMYIW-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O)OC(C)c1ccc(F)cc1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIGDNMQNTLPYGD-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O)OCc1ccccc1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJSLZXUKVGRKH-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O)OCc1ccc2ccccc2c1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYSQVJIACPUOLE-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O)OCc1ccc(-c2ccccc2)cc1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWSNWWNBDEWIL-UHFFFAOYSA-N", "SMILES:CC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O)OCCCCc1ccccc1.N.N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAPJIYWUSKCBKF-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2)c2c(OCc3cn(-c4ccc(S(=O)(=O)Nc5ccccn5)cc4)nn3)cc(OCc3cn(-c4ccc(S(=O)(=O)Nc5ccccn5)cc4)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVNMXFFWGYNCR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3cc(COc4cc(OCc5cn(-c6ccc(S(=O)(=O)Nc7nc(C)cc(C)n7)cc6)nn5)c5c(-c6ccccc6)cc(=O)oc5c4)nn3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKMPJQAUUZPFO-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(COc2cc(OCc3cn(CC(=O)Nc4ccc(S(=O)(=O)Nc5ccccn5)cc4)nn3)c3c(-c4ccccc4)cc(=O)oc3c2)nn1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEKNBZHRQWVLPU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(NC(=O)CCC(=O)Nc2ccc(C(=O)OC)cc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5594087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJVSWMSLFZHBU-NLHRSOKXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJVSWMSLFZHBU-JCVUEZTISA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMXWTZIYEQGIFH-RYRKJORJSA-N", "SMILES:CO[C@@]1(C)[C@H](O)C(=O)C(C)=C2OC(=O)c3c(C)cc(O)c(C)c3O[C@@H]21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5594198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPRBZWLUWCOAHM-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ncc(CN2C(=O)c3ccccc3C2C(=O)NCc2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZYXNLZSAJYJT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)C(C(=O)NCc1ccc(F)cc1)N(Cc1cnc(NC(=N)N)s1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEOBATLEUGAITQ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(=O)N(Cc1cnc(NC(=N)N)s1)C2C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCAILBPALGCSKN-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ncc(CN2C(=O)c3cc(F)ccc3C2C(=O)NCc2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRHSDSHCPBAPPL-UHFFFAOYSA-N", "SMILES:CN(Cc1ccc(F)cc1)C(=O)C1c2ccccc2C(=O)N1Cc1cnc(NC(=N)N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXBMYZXFYLGIA-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ncc(CN2C(=O)c3ccccc3C2C(=O)N(Cc2ccc(F)cc2)C2CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBBBWNYOLQKFCM-UHFFFAOYSA-N", "SMILES:CNC(=N)Nc1ncc(CN2C(=O)c3cc(F)ccc3C2C(=O)NCc2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXPLZOYUGUVWOT-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)C1c2ccccc2C(=O)N1Cc1cc2ncccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVHLZPMHDQSSSV-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(F)cc1)C1c2ccc(F)cc2C(=O)N1Cc1cc2ncccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBKLDMQDYNQFU-SANMLTNESA-N", "SMILES:O=C1c2cc(F)ccc2[C@]2(CCN(Cc3ccc(F)cc3)C2=O)N1Cc1cc2cccnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBACAWHGMXZBGY-SANMLTNESA-N", "SMILES:O=C1c2cc(F)ccc2[C@]2(CCN(Cc3ccc(F)cc3)C2=O)N1Cc1cc2ncccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTPUWMSONSYAL-SANMLTNESA-N", "SMILES:O=C1c2cc(F)ccc2[C@]2(CCN(Cc3ccc(F)cc3)C2=O)N1Cc1cc2ccncc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFLMLTFIZDNHRL-SANMLTNESA-N", "SMILES:Nc1ccc2cc(CN3C(=O)c4cc(F)ccc4[C@]34CCN(Cc3ccc(F)cc3)C4=O)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPCXFCEZJPTDU-SANMLTNESA-N", "SMILES:Nc1ccc2[nH]c(CN3C(=O)c4cc(F)ccc4[C@]34CCN(Cc3ccc(F)cc3)C4=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLDPIDGOSALDOV-MHZLTWQESA-N", "SMILES:Nc1ccc2ncc(CN3C(=O)c4cc(F)ccc4[C@]34CCN(Cc3ccc(F)cc3)C4=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSZAODGHOZXOMT-VWLOTQADSA-N", "SMILES:Nc1ccc2[nH]c(CN3C(=O)c4cc(F)ccc4[C@]34CCN(Cc3ccc(F)cc3)C4=O)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMVQSCARKHOLD-SANMLTNESA-N", "SMILES:Nc1ccc2oc(CN3C(=O)c4cc(F)ccc4[C@]34CCN(Cc3ccc(F)cc3)C4=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVGCXPSTMWGGJL-MHZLTWQESA-N", "SMILES:Cn1c(CN2C(=O)c3cc(F)ccc3[C@]23CCN(Cc2ccc(F)cc2)C3=O)cc2nc(N)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNDJELUIXRXTC-MHZLTWQESA-N", "SMILES:COc1cc(N)nc2cc(CN3C(=O)c4cc(F)ccc4[C@]34CCN(Cc3ccc(F)cc3)C4=O)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBTOWIXRIBDBPO-MHZLTWQESA-N", "SMILES:Nc1cc(C(F)F)c2[nH]c(CN3C(=O)c4cc(F)ccc4[C@]34CCN(Cc3ccc(F)cc3)C4=O)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJIUKEMXFQJDBZ-SANMLTNESA-N", "SMILES:Nc1nc2cc(CN3C(=O)c4cc(F)ccc4[C@]34CCN(Cc3ccc(F)cc3)C4=O)[nH]c2cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1622914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTLFAYUWRFDURJ-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDMPALAVDHMTRL-UHFFFAOYSA-N", "SMILES:CCCc1ccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCECCXWIJRUZPU-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKYLIWPJHZSPSB-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3Cl)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBUJZWLXOOYSH-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTJITIVEQCVEAC-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1708855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSOFXIUUUOROE-UHFFFAOYSA-N", "SMILES:CCC(=O)N1c2ccccc2CC1C(=O)NCCCN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1864178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASVYFCDEBHTWJT-UHFFFAOYSA-N", "SMILES:CCC(=O)N1c2ccccc2CC1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHIAMVPZHAVSRX-UHFFFAOYSA-N", "SMILES:OC(COc1ccc2c(c1)CCC2)CN1CCN(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1616780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUTMSTNEGIYFBI-UHFFFAOYSA-N", "SMILES:OC(COc1ccc2c(c1)CCC2)CN1CCN(c2cccc(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBWRULSXJZMULZ-UHFFFAOYSA-N", "SMILES:OC(COc1ccc2c(c1)CCC2)CN1CCN(c2ccc(Cl)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVEMDHDVRZPZTK-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(COCC(O)CN2CCN(c3ccccc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBAGXSSBMUYPJH-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(COCC(O)CN2CCN(c3cccc(Cl)c3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDXQKSWQIDITSS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGJGLKGDVQLLH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(CN3CCN(c4ccccc4Cl)CC3)cs2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEISTWHPXZOPDR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(CN3CCN(c4cccc(Cl)c4)CC3)cs2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUJMPLYHTCHYDT-UHFFFAOYSA-N", "SMILES:CC1=C(CCN2CCN(c3cccc(Cl)c3)CC2)C(C)(C)CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFJLMZHFMDJXPN-UHFFFAOYSA-N", "SMILES:CN1CCN(CCCCCN2c3cc(Cl)ccc3Sc3cccnc32)CC1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCYZOKRREHHHFL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)N(CCCCCN1CCC3(CCN(C)CC3)CC1)c1ncccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGXWTBAJXFYLG-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c[nH]c3ncc(-c4ccc(C5CCN(C6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)cc4)nc23)ccc1C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHEJEVOODUEXSJ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(C)CC5)nc23)ccc1C(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQIKAPSZBSDYRB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(Oc2cccn3nccc23)cc1F)c1ccnn(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSNHETNTQAPUFV-UHFFFAOYSA-N", "SMILES:CCN(c1cc(F)c(NC(=O)c2ccnn(-c3ccc(F)cc3)c2=O)cc1F)c1cccn2nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFNYNTMTUAAWBQ-UHFFFAOYSA-N", "SMILES:CC(C)N(c1cc(F)c(NC(=O)c2ccnn(-c3ccc(F)cc3)c2=O)cc1F)c1cccn2nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXTPTGKVNDKEBH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(F)c(N(c2cccn3nccc23)C2CCC2)cc1F)c1ccnn(-c2ccc(F)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFACOHQKAFNVDN-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)CN(c1cc(F)c(NC(=O)c2ccnn(-c3ccc(F)cc3)c2=O)cc1F)c1cccn2nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LACQNCFWSGNAME-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)CN(c1cc(F)c(NC(=O)c2ccnn(-c3ccc(F)cn3)c2=O)cc1F)c1cccn2nccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYOHHAARLYXZCT-UHFFFAOYSA-N", "SMILES:Cn1ccc(CCN(c2cc(F)c(NC(=O)c3ccnn(-c4ccc(F)cn4)c3=O)cc2F)c2cccn3nccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOYTWIQQXDBLBU-HDICACEKSA-N", "SMILES:CO[C@H]1C[C@@H](N(c2cc(F)c(NC(=O)c3ccnn(-c4ccc(F)cn4)c3=O)cc2F)c2cccn3nccc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRGRGMAUGQQBKO-KESTWPANSA-N", "SMILES:Cn1ccc([C@H]2C[C@H](N(c3cc(F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)c3cccn4nccc34)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYZIEYQSISIMCY-KESTWPANSA-N", "SMILES:COc1cc(N(c2cc(F)c(NC(=O)c3ccnn(-c4ccc(F)cn4)c3=O)cc2F)[C@H]2C[C@H](c3ccn(C)n3)C2)c2ccnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQKCGXGVFJZXPB-IRJFHVNHSA-N", "SMILES:Cn1ccc([C@H]2C[C@H](N(c3cc(F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)c3cc(F)cn4nccc34)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYXPWSUKPXBNGX-UAPYVXQJSA-N", "SMILES:Cc1cc(N(c2cc(F)c(NC(=O)c3ccnn(-c4ccc(F)cn4)c3=O)cc2F)[C@H]2C[C@H](c3ccn(C)n3)C2)c(F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZBISQRYUUZSEV-UAPYVXQJSA-N", "SMILES:Cn1ccc([C@H]2C[C@H](N(c3cc(F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)c3nccn4nccc34)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOZZWMDRSOTUFT-KESTWPANSA-N", "SMILES:Cc1cc2c(N(c3cc(F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)[C@H]3C[C@H](c4ccn(C)n4)C3)nccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOOGWERBQFOXKZ-UAPYVXQJSA-N", "SMILES:Cn1ccc([C@H]2C[C@H](N(c3cc(Cl)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)c3nccn4nccc34)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQKQNHSIOOWXRX-XUTJKUGGSA-N", "SMILES:Cc1cc(N(c2nccn3nccc23)[C@H]2C[C@H](c3ccn(C)n3)C2)c(F)cc1NC(=O)c1ccnn(-c2ccc(F)cn2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCQXJPMKABHTLL-UAPYVXQJSA-N", "SMILES:Cn1ccc([C@H]2C[C@H](N(c3cc(F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3Cl)c3nccn4nccc34)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPDHLAGPIBSFMY-UAPYVXQJSA-N", "SMILES:Cn1ccc([C@H]2C[C@H](N(c3cc(C(F)F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)c3nccn4nccc34)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCQBGCQAXNYPH-UHFFFAOYSA-N", "SMILES:Cc1cc2n(n1)C1(CCN(C(=O)c3ccc(Cl)cc3)CC1)CC(=O)N2CC1CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5591369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FABJNSZIAFHVDW-UHFFFAOYSA-N", "SMILES:Cc1cc2n(n1)C1(CCN(C(=O)c3cccc(F)c3)CC1)CC(=O)N2CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1196736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMUSJJBIQWMCAN-PCYNRASCSA-N", "SMILES:CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)C2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWCRPBJOWRRBW-UHFFFAOYSA-N", "SMILES:COC(=O)c1c2c(c[n+]([O-])c1C)C(=O)C=C(NCc1ccccc1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFZSQGDHAPAQDI-NRFQWKTPSA-N", "SMILES:CCCCNC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLYFBULOQVKIJB-NRFQWKTPSA-N", "SMILES:CCCCNC(=S)NC[C@@H](O)[C@@H](O)[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQYREUWBSWRJBY-NRFQWKTPSA-N", "SMILES:CCCCNC(=O)OC[C@@H](O)[C@@H](O)[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRDTELOFCCSOS-NRFQWKTPSA-N", "SMILES:CCCCNC(=S)OC[C@@H](O)[C@@H](O)[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZROZUPFCCVDFF-IQVWLFHZSA-N", "SMILES:CCCCCC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4285561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKMOCEXFVDXFOH-IHWGESPNSA-N", "SMILES:CCCCCc1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(C(=O)O)=C[C@H](O)[C@H]2NC(C)=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMGGWJINKZRZKF-OMTGHCCBSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccc(-c3ccccc3)cc2)OC(C(=O)O)=C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSBUYLKKDQSSQK-OMTGHCCBSA-N", "SMILES:CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)Nc2ccc(-c3ccccc3)cc2)OC(C(=O)O)=C[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5083635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTKSBNLNPMUGBL-HXUWFJFHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKMUHQIDVVOXHQ-HXUWFJFHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUHQKFZODJWHC-OAQYLSRUSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2cc(C)c(CN3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFLNUVXDLSHPLZ-OAQYLSRUSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2cc(C)c(CNC3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYAHYRFZEIZVJH-UVWWXKGLSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2cc(C)c(CN[C@H]3CC[C@@H](O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVUWVELOVTXFIF-UVWWXKGLSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2sc(CN[C@H]3CC[C@@H](O)C3)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIXSVALKOSPPTR-OAQYLSRUSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2sc(CNC3CCCC3)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSQVFSSSFUJZCM-OAQYLSRUSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2sc(CN3CCCC3)cc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAXNQPCLAUPHDB-MRXNPFEDSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLYMTVCDKMRMMN-GOSISDBHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2cc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUSKINMOLUQXCJ-MRXNPFEDSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(C#N)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCKCUBDBYRKGQE-QGZVFWFLSA-N", "SMILES:Cc1csc(-c2cccc([C@@H](C)NC(=O)c3cc(NC4CNC4)ccc3C)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMNYJTDKYHWCRC-QGZVFWFLSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2sccc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOORNACXUIRPKF-HXUWFJFHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(-c3ccccc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RABBXSOFSZKGCX-GOSISDBHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(-c3cccs3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQLNEBSJHDKLEA-OAHLLOKOSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(C(F)(F)F)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITVDTVVZKSFDD-OAHLLOKOSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(Cl)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJQTWBKTWMILFW-MRXNPFEDSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2cc3sccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFGOOCNOUVFNB-GOSISDBHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC(=O)C3CC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQFFQYRYLLUJX-HXUWFJFHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC(=O)C3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNIOOUXZNIWEDN-HXUWFJFHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC(=O)C3CCOCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOAUHHKQWSQXLZ-ICCFGIFFSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC(=O)C3CCCO3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXOJAQKCJQALSY-HXUWFJFHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC(=O)C3CCNCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHXCLMJPKVCIPL-GOSISDBHSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC(=O)C3CNC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTLIGUHWCSORE-YUVSOPLDSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC(=O)C3CCC(N)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWGJYNOJOABGLU-BCHFMIIMSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC(=O)[C@@H]3CCCN3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWLZZGLZWGHKFR-PTUXOGIPSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CC[C@@H](C(=O)O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLWGUGHCJKMOR-SDUSCBPUSA-N", "SMILES:CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(-c3cccc([C@@H](C)NC(=O)c4cc(NC5CNC5)ccc4C)c3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLGAUOBPVUZLQW-HXUWFJFHSA-N", "SMILES:Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQPVRUOUOOIQR-HXUWFJFHSA-N", "SMILES:Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTJOSBNLNQPCX-WTIAFYNJSA-N", "SMILES:Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CC[C@@H](O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLOZQEBQKSKWQO-JOCHJYFZSA-N", "SMILES:Cc1ccc(OC2CCNCC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTPYVYOATNQFQQ-PTUXOGIPSA-N", "SMILES:Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN3C(=O)[C@@H]4CC[C@H]3C4)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPEDAVGOVRCNQR-PTUXOGIPSA-N", "SMILES:Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CC[C@@H](C(=O)O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWKRIGYXJJRJNT-HXUWFJFHSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNASZCRASEXMI-HXUWFJFHSA-N", "SMILES:Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQRJXVLHJOBKH-JGKWMGOWSA-N", "SMILES:Cc1ccc(OC2CCNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDVJHNMXLICZJD-LJQANCHMSA-N", "SMILES:CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc(-c3ccc(CNC4CCCC4)s3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLMMYLASMVWNSO-LJQANCHMSA-N", "SMILES:CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc(-c3ccc(CN4CCCC4)s3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLCLKGUDXSQMQV-RVSNTGDXSA-N", "SMILES:CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc(-c3ccc(CN[C@H]4CC[C@@H](O)C4)s3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDZGQVONVRVOI-GOSISDBHSA-N", "SMILES:Cc1ccc(N)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHPPXNPWMOEQRF-GOSISDBHSA-N", "SMILES:Cc1ccc(N)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBSVMHQPYPWXOR-VOQZNFBZSA-N", "SMILES:Cc1ccc(N)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CC[C@@H](O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDOFDZLZNRJHU-HXUWFJFHSA-N", "SMILES:Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CNC3CCCC3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXXDOYZQVAIETF-LJQANCHMSA-N", "SMILES:Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ncc(CNC3CCCC3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVFPUDLNCRRTFG-LJQANCHMSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ncc(CNC3CCCC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORLYGXLAVWTIKD-QGZVFWFLSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2cccn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXGFBOQRYPHUER-OSNOJXMOSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CC[C@@H](OC(=O)[C@@H](N)C(C)C)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOSPYLYGSJBYAS-YIAFBOQESA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CC[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVIWYEDTKPMVBC-LETIRJCYSA-N", "SMILES:CC(=O)OC(C)OC(=O)N1CC(Nc2ccc(C)c(C(=O)N[C@H](C)c3cccc(-c4ccc(CNC(=O)C5CCCC5)s4)c3)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROXQWAMVKLEDKV-NDANEXJWSA-N", "SMILES:Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CC[C@@H](C(=O)OC[C@H]4O[C@@H](n5ccc(N)nc5=O)[C@H](O)[C@@H]4O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERZBGLPPGDDKA-NDANEXJWSA-N", "SMILES:Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN[C@H]3CC[C@@H](C(=O)OC[C@H]4O[C@@H](n5ccc(NO)nc5=O)[C@H](O)[C@@H]4O)C3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFPJXEAMPLLENH-UHFFFAOYSA-M", "SMILES:COCCn1c[n+](Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRURYEFDCGQBFQ-WHCFWRGISA-N", "SMILES:Cc1nnc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n1-c1cc(Cl)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMJUHPPPAURXMB-OBJCFNGXSA-N", "SMILES:OC[C@H]1O[C@@H](c2nncn2-c2cc(Cl)ccc2Cl)[C@H](O)[C@@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNOIHBBQZKWLOD-XDWAVFMPSA-N", "SMILES:OC[C@H]1O[C@@H](c2nncn2-c2cc(Cl)ccc2C(F)(F)F)[C@H](O)[C@@H](n2cc(-c3ccc(Cl)c(F)c3)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEEPFSUHHUJJJQ-YNUHATHGSA-N", "SMILES:OC[C@H]1O[C@@H](c2nncn2-c2cc(Cl)ccc2C(F)(F)F)[C@H](O)[C@@H](n2cc(-c3ccc(Br)c(F)c3F)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIDNYRFYMPWEN-CDJZJNNCSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3ccc(Br)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1c1nncn1-c1cc(Cl)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVKRYQQKRTZOA-WIXLDOGYSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3ccc(Br)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1c1nncn1-c1cc(Cl)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCVPTKQTWLZBHT-YNUHATHGSA-N", "SMILES:OC[C@H]1O[C@@H](c2nncn2-c2cc(Cl)ccc2OC(F)(F)F)[C@H](O)[C@@H](n2cc(-c3ccc(Br)c(F)c3F)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSRBRIQVFAXGW-YNUHATHGSA-N", "SMILES:OC[C@H]1O[C@@H](c2nncn2-c2cc(Cl)ccc2OC(F)(F)F)[C@H](O)[C@@H](n2cc(-c3ccc(Cl)c(F)c3F)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEUDLPNFJURTNQ-WHCFWRGISA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1c1nncn1-c1cc(Cl)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOMDJRLPPWAUCS-WIXLDOGYSA-N", "SMILES:OC[C@H]1O[C@@H](c2nncn2-c2cc(Cl)ccc2C(F)(F)F)[C@H](OCC(F)(F)C(F)F)[C@@H](n2cc(-c3ccc(Br)c(F)c3F)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLBAPZGQKCIVIH-WIXLDOGYSA-N", "SMILES:CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1c1nncn1-c1cc(Cl)ccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDBGKFQLIRIXRB-RBUQIHAASA-N", "SMILES:OC[C@H]1O[C@@H](c2n[nH]c(=S)n2-c2cc(Cl)ccc2OC(F)(F)F)[C@H](O)[C@@H](n2cc(-c3ccc(Cl)c(F)c3F)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTGNRFVSZUQTIQ-RBUQIHAASA-N", "SMILES:OC[C@H]1O[C@@H](c2n[nH]c(=S)n2-c2cc(Cl)ccc2C(F)(F)F)[C@H](O)[C@@H](n2cc(-c3ccc(Br)c(F)c3F)nn2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTNXVYSHNSOFNS-YNUHATHGSA-N", "SMILES:Cn1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccc(Br)c(F)c4F)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLPLQIDXJPIHFF-HSZRJFAPSA-N", "SMILES:Cc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c(c1)cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVEGCCSZLDIRNC-JOCHJYFZSA-N", "SMILES:COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c(c1)cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFJMIOFGJESIT-JOCHJYFZSA-N", "SMILES:COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJTITUASWHOTAM-HSZRJFAPSA-N", "SMILES:COCc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c(c1)cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICPVSMXQLWSENN-JOCHJYFZSA-N", "SMILES:COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISKKMGCERGHGB-HSZRJFAPSA-N", "SMILES:COc1c(C)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGFLJGVXNJNPOO-HSZRJFAPSA-N", "SMILES:COCc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWDOUSXHOCDXNI-JOCHJYFZSA-N", "SMILES:COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNHOANIWLCWLAH-JOCHJYFZSA-N", "SMILES:COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWYZUTIILSTBQK-JOCHJYFZSA-N", "SMILES:COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYUIMAKHRYJUCS-XMMPIXPASA-N", "SMILES:COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDBAOIRFGBJNEO-AREMUKBSSA-N", "SMILES:COc1c(OCC2CCOCC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTUXEFQPNXDMF-NAKRPHOHSA-N", "SMILES:COc1c(OC[C@@H]2CCCO2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMTUXEFQPNXDMF-LEAFIULHSA-N", "SMILES:COc1c(OC[C@H]2CCCO2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYTDLOFZSVVDQJ-XMMPIXPASA-N", "SMILES:COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILLJXWSSBYARPQ-AREMUKBSSA-N", "SMILES:COc1c(OCC2CCOCC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMOYKDVDPHSHK-IRPSRAIASA-N", "SMILES:COc1c(OC[C@@H]2CCCO2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNMOYKDVDPHSHK-VAVYLYDRSA-N", "SMILES:COc1c(OC[C@H]2CCCO2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZCSBZCEIOQJK-YWEHKCAJSA-N", "SMILES:COc1c(O[C@H]2CCOC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZCSBZCEIOQJK-UFHPHHKVSA-N", "SMILES:COc1c(O[C@@H]2CCOC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDAISGEZGKIEB-IRPSRAIASA-N", "SMILES:CCOc1c(O[C@H]2CCOC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWBXIQPGSRCJOT-HHHXNRCGSA-N", "SMILES:CCOc1c(OCC2CCOCC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBUWPPMCXJAMKW-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJNPGRIDUNVMRQ-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKLQTLSLYGXNEC-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYOLFCFXBMKTDY-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRJYNQYUCKCQW-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWKSWRCWZPLZHY-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cccnc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENPGKFHSVULEC-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKIFPALZJFFDY-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cn(C)nc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTOFUKWGMNKDSC-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDXDUZLWILZAMV-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBDHEZTUQLEJZ-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWBGDNOZZLIRHW-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPZWMNKBALQWMS-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnc(C)n2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLBGQUQWNZUMHZ-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SACPQRJYKMMRAR-UHFFFAOYSA-N", "SMILES:Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGKSJLCSMVZTBH-UHFFFAOYSA-N", "SMILES:Cn1ncc(S(=O)(=O)N2CCC(c3ccc4ncnn4c3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPVAVCRPBYZDM-UHFFFAOYSA-N", "SMILES:Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVPVXMSMCDDGRU-UHFFFAOYSA-N", "SMILES:Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3F)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDYRWNFZVSTZQT-UHFFFAOYSA-N", "SMILES:Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(F)(F)F)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIBRVYXXHSSXLH-UHFFFAOYSA-N", "SMILES:CCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGJCKKNNRRMZNA-UHFFFAOYSA-N", "SMILES:Cn1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C3CC3)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTKRRQHSQKYJAM-UHFFFAOYSA-N", "SMILES:COc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKRPBFQIPHGRFC-UHFFFAOYSA-N", "SMILES:Cc1cc2ncnn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPYOYUYNAPVIGU-UHFFFAOYSA-N", "SMILES:Cc1nc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCHADOFHCKEIA-UHFFFAOYSA-N", "SMILES:Cc1cc2nccn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDZQEYCHDXMLLM-UHFFFAOYSA-N", "SMILES:Cc1c(C2CCN(S(=O)(=O)c3cnn(C)c3Cl)CC2)cn2ncnc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BERMJSYQKUTHBC-UHFFFAOYSA-N", "SMILES:Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUEOYXRNWRXVMW-UHFFFAOYSA-N", "SMILES:Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3F)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGHZCRRIMVILS-UHFFFAOYSA-N", "SMILES:Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(F)(F)F)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGTDHUZOHFPFNM-UHFFFAOYSA-N", "SMILES:Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4c(F)c3C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDWUGKBZCWXGOB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cnc(CO)s1)N1CCC(c2cn3ncnc3cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URAUBDCJGRESTK-UHFFFAOYSA-N", "SMILES:Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URAUBDCJGRESTK-CQOLUAMGSA-N", "SMILES:[2H]C1([2H])CC(c2cn3ncnc3cc2Cl)CC([2H])([2H])N1S(=O)(=O)c1cnc(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPVBZFOLVRACAQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRLNWEXUCPAYHC-UHFFFAOYSA-N", "SMILES:CCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnc(C)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTNFPZJBMVUCJY-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2cc3c(cc2c2[nH]c(=O)c4ccccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEGQMPWXVDNBDR-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2cc3c(cc2c2nc(Cl)c4ccccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLPGUKINXAZJD-UHFFFAOYSA-N", "SMILES:CN(C)CCCn1c2cc3c(cc2c2ncc4ccccc4c21)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVOJZFYUTVWLAB-UHFFFAOYSA-N", "SMILES:O=C(CCCn1c2cc3c(cc2c2[nH]c(=O)c4ccccc4c21)OCO3)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHMNSYKZQLWDTI-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1nc(Cl)c3ccccc3c1n2CCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRVGSYKNTWLBRV-UHFFFAOYSA-N", "SMILES:O=C(CCCn1c2cc3c(cc2c2nc(Cl)c4ccccc4c21)OCO3)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAJZQWKUKWYLJR-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c1ncc3ccccc3c1n2CCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZRGUXJZSQKTQ-UHFFFAOYSA-N", "SMILES:O=C(CCCn1c2cc3c(cc2c2ncc4ccccc4c21)OCO3)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEQINUMVNQRSCT-UHFFFAOYSA-N", "SMILES:COc1cccc(C#CC2(OC)CCN(Cc3cnc(NC(C)=O)s3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXFJUQWEPMNKJE-UHFFFAOYSA-N", "SMILES:CCOC1(C#Cc2cccc(OC)n2)CCN(Cc2cnc(NC(C)=O)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXYVYXCZSNNKSK-UHFFFAOYSA-N", "SMILES:CCCOC1(C#Cc2cccc(OC)n2)CCN(Cc2cnc(NC(C)=O)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSVNLJBHGPRHZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C#CC2(OCc3ccccc3)CCN(Cc3cnc(NC(C)=O)s3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKRXQFNLYFYHNU-UHFFFAOYSA-N", "SMILES:COc1cccc(C#CC2(F)CCN(Cc3cnc(NC(C)=O)s3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGDGWCXCTALAFJ-UHFFFAOYSA-N", "SMILES:COc1cccc(C#CC2(O)CCN(Cc3cnc(NC(C)=O)s3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOCYYCTUVVMYNM-UHFFFAOYSA-N", "SMILES:COc1cccc(C#CC2CCN(Cc3cnc(NC(C)=O)s3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWNSTZBBAHWFV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cccc(C)n3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUJQCLATZBPGFR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cc(C)cc(C)n3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTAXQZBUUBSGAN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc(C)nc3C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLZLCRCOFBFQOE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cc(C)nc(C)c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZOVCMBSAJJGNY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ncccc3F)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVMHDDDXLDQCHT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cc(F)ccn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILALHCFKXCMTQP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc(F)cn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFUHWPCTGQMPO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc(N(C)C)nc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQEQAEOCVVMOEV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc(N4CCCC4)nc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZGQVPHOULMDNH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cncc(C)n3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACBCRVQIGWGDMS-UHFFFAOYSA-N", "SMILES:COc1ccc(C#CC2CCN(Cc3cnc(NC(C)=O)s3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQXZVQWLXXJAF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3nccc(C)n3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTXNJSUWFWMPHR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ncc(C)cn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOQCJQHTWFXKRU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cc(C)ncn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBQCYHLSHJYSLG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cnc(C)nc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMACQEUWBPFQSZ-UHFFFAOYSA-N", "SMILES:COc1cnc(C#CC2CCN(Cc3cnc(NC(C)=O)s3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSINBCSGIUCGCZ-UHFFFAOYSA-N", "SMILES:COc1ncc(C#CC2CCN(Cc3cnc(NC(C)=O)s3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYWXVYUHUJXAQE-UHFFFAOYSA-N", "SMILES:COc1ncncc1C#CC1CCN(Cc2cnc(NC(C)=O)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUJPFYQQOBGWFC-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cnc(OC(C)C)nc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWGNKQREQAFWEV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cnc(N(C)C)nc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDFATNIUMQLSSF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cnc(N4CCCC4)nc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMPSHOFMJAKGRL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3nccc(C(F)(F)F)n3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUBSUHOSYGKROL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ncc(C(F)(F)F)cn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDLSFSNDUXVTGV-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cc(C(F)(F)F)ncn3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXYFAZUDXPERCX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cnc(C(F)(F)F)nc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVMLYBDKIUIWME-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cncnc3C(F)(F)F)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFRPPPJKJBILB-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4ccccc4n3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOLSWAGLVTNCF-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4nc(C)ccc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFOHIRQSSZIYJP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cc4cccnc4cc3C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPJQIOLCUHNOH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cc(C)c4ncccc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRXPXULVQVKAPX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cccc4ccoc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSQLQKZAKWUAOO-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4occc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWQUVGLZCXJJET-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cccc4ccsc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIEIVVMKSIMZHY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4sccc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNGQCPLSGUDXDG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4[nH]ccc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRUDZHCSEZNLFD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccn4ccnc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGCFCGIQHMUER-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccn4nccc4c3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAQOCZSFGVCGKT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccn4nccc4n3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGRSWKUZOUOMG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4c(c3)OCO4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCSINPRWNDCHHE-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cccc4c3OCO4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCILMMWOUWBGCK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4c(c3)CCO4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXHLDIMOVQEPNM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4c(c3)CCC(=O)N4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZILCITIYCAVCGP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4c(c3)CCNC4=O)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFQDTRXSIZFKG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cccc4c3CCC(=O)N4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJVKGOTYFZOFPT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4c(c3)NCCC4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLDPUOPOFBMSAH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4c(c3)CNCC4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYCVRJAKRBDSKD-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4c(c3)CCNC4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBFCYDPGASTWQU-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4c(c3)CCCN4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFAGLGCDMPPTBY-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4c(n3)CCCN4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMSJAICRGEYTH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cc4c(cn3)NCCC4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSIBXYDGDCUIR-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cnc4c(c3)CCCN4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSCKWOHYPAPDSH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3ccc4c(c3F)CCCN4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTYLQNGKABAHPT-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cc4c(cc3F)NCCC4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQWMVVVYQFNXKX-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ncc(CN2CCC(C#Cc3cc(F)c4c(c3)CCCN4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFNRINRWEARWEM-CABZTGNLSA-N", "SMILES:CC(=O)Nc1nc(F)c(CN2CC[C@H](OCc3nnc(C)o3)C[C@@H]2C)s1"]}
{"name": "Protein O-GlcNAcase", "xref": ["CHEMBL.TARGET:CHEMBL3351213"], "id": "UniProtKB:Q8VIJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUUAFJXXNCXSD-NSHDSACASA-N", "SMILES:CC(=O)Nc1nnc(N2CCN([C@@H](C)c3ccc4c(c3)OCO4)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095251", "category": ["biolink:ChemicalEntity"], "name": "CEPEROGNASTAT", "xref": ["InChIKey:FRVXHWNHGWUTQO-CABZTGNLSA-N", "SMILES:CC(=O)Nc1nc(F)c(CN2CC[C@H](OCc3noc(C)n3)C[C@@H]2C)s1"], "synonym": ["Ly-3372689", "LY3372689", "Ceperognastat"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNCPTRVBQYUQCO-UHFFFAOYSA-N", "SMILES:NCC1(Cc2ccccc2)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YANZHWQFVCDUDF-UHFFFAOYSA-N", "SMILES:NCC1(Cc2cccs2)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMHITKMDUAQSCH-QGZVFWFLSA-N", "SMILES:Nc1nc(N2CCC3(CC2)c2ccccc2CC[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHPXXNIPZLEBEO-LJQANCHMSA-N", "SMILES:Nc1nc(N2CCC3(CCc4ccccc4[C@H]3N)CC2)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZENYIHWHMPMJAN-LJQANCHMSA-N", "SMILES:CS(=O)(=O)c1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGXSZSKCCFUFCG-GOSISDBHSA-N", "SMILES:NC(=O)c1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWOKBLADBNVQIK-HXUWFJFHSA-N", "SMILES:CP(C)(=O)c1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKLSHXXPBLEMIG-HSZRJFAPSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2ccc(OC4CCOCC4)cc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSQTZOHFOYJHFU-LJQANCHMSA-N", "SMILES:N#Cc1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVGVVABOPBNNLJ-GOSISDBHSA-N", "SMILES:NC(=O)c1cccc2c1CC1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)[C@@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLWFMQUTLKHSNF-HXUWFJFHSA-N", "SMILES:CP(C)(=O)c1cccc2c1CC1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)[C@@H]2N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJJQUHQSJVEHNN-GOSISDBHSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2ccc(C(F)(F)F)cc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFLMXUPFWKERE-MRXNPFEDSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2sccc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAKZICMRPUBHTQ-OAHLLOKOSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2scnc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJOVBBYFILFNCE-QGZVFWFLSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2cccnc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4752051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFKOUTGKKFPEOH-QGZVFWFLSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOMIFCCAVCRCAW-GOSISDBHSA-N", "SMILES:Nc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)cnc1Sc1ccncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHDDCHNQIZYXGX-GOSISDBHSA-N", "SMILES:CNc1nccc(Sc2ncc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)nc2N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISCNMUDLHLRROP-LJQANCHMSA-N", "SMILES:CN(C)c1nccc(Sc2ncc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)nc2N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGIGIUNYOFYHZ-LJQANCHMSA-N", "SMILES:Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)cn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJAWZUKMVFTWJE-RMKQBHKMSA-N", "SMILES:C=C1C(=O)N(C)[C@H](C)[C@H](O)N1C(=O)/C=C/C=C\\[C@@H](CO)[C@H](O)[C@H](C)CCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCAMBYZONPQAZ-WQLSENKSSA-N", "SMILES:C#CCN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRKCCDLTTPGCJJ-POHAHGRESA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMWKLIAWIVALKF-VBKFSLOCSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIROWJQDBMDJG-YBEGLDIGSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPJBNLAYIANDAO-UNOMPAQXSA-N", "SMILES:C#CCN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDKWOQOCHSYKHW-YVLHZVERSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOEDYFXMMDHWHN-YVLHZVERSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(NCc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYNKALRRDSKOEE-YVLHZVERSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(OCc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWSFNXSYJGEGNQ-WDZFZDKYSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(OCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPASVCJCQJHPFT-ZHZULCJRSA-N", "SMILES:C#CCN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCCNC(=O)c2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSOYACBYTRVAPS-UYRXBGFRSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCCCNC(=O)c2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXTLNJCUXJYBCH-KWUPLBGHSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(/C=C/C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEBMKKHRJQIHH-GVVZRPPFSA-N", "SMILES:Cc1cc(/C=C/C(=O)NO)ccc1/C=C1/C(=O)NCC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPXZKOBZLYNGDA-XVHQSRQOSA-N", "SMILES:Cc1cc(/C=C2/C(=O)NCC(=O)N2C)ccc1/C=C/C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRBLAZMIPWGTAW-ZLXMBHDQSA-N", "SMILES:CCOc1cc(/C=C2/C(=O)NCC(=O)N2C)ccc1/C=C/C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REOGGGRQBBOXAW-DFTQQVSXSA-N", "SMILES:COc1cc(/C=C2/C(=O)NCC(=O)N2C)ccc1/C=C/C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIOBSPOWOVDMQZ-FMVMLBDOSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(/C=C/C(=O)NO)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJXQFGCNREVDO-UHFVGQSGSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(N(C)C)c(/C=C/C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVYWRPFTLAPKGB-VSIFMREISA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(-c2ccc(/C=C/C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHTUTRXICDVMDB-UITAMQMPSA-N", "SMILES:O=C1CNC(=O)/C(=C/c2ccc(C(=O)NO)cc2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPLFYKQXFLCRKK-PDGQHHTCSA-N", "SMILES:C#CCN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHWLAQXSGWERMB-WQRHYEAKSA-N", "SMILES:C#CCN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)Nc2cccc(C(=O)NO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHFDRGGRJVUQHX-SXGWCWSVSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)Nc2cccc(C(=O)NO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAUHIBGKLGCRKN-YVLHZVERSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCc2cccc(C(=O)NO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGUXHAVRSIWCO-PDGQHHTCSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCCNC(=O)c2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNQQIKPLWYLIB-QNGOZBTKSA-N", "SMILES:C#CCN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCCCNC(=O)c2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBNEHPRZRZLCK-FMVMLBDOSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(/C=C/C(=O)NO)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSNIBRDBUZUEQC-WQLSENKSSA-N", "SMILES:CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCRFDLGSJWXWCS-UNOMPAQXSA-N", "SMILES:C#CCN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCc2cccc(C(=O)NO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZEICKMHTPYBDM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(n2cc(-c3noc(N)c3C(=O)NCc3ccccc3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRLJNPCGMCSQCM-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDZVOTKSLHLPTM-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(Br)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVIXEAZBRRJEFX-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1cc2ccccc2s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXWVUVPZTAYGAR-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1cc2ccccc2[nH]1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USTJOKQGVKRZCI-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(F)cc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDJRPQDUGVCFH-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)CSc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRQRZGIATLGHJI-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)CCc1ccccc1F)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEWQRSXYASTVGL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(C(=O)NCCCN(C)Cc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGAWJNQVUKUOQD-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFHBJAFHUMOFQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)NCCCN(C)Cc3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLPBMLUTSNLCQU-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccc(O)cc2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCRFNVRKTBUATM-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccncc2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGOFSOVDOATCOT-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccc(F)cc2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCWHFDLDGZQUPY-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccccc2F)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INYLRAMYACPQDV-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2cccc(F)c2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOTVSQDCUFOYSL-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2cc(F)cc(F)c2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HELOPMHVQHIQKN-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)CCCNC(=O)c2ccc(-c3ccccc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INHDXYHHNFRBTA-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYPYDIIWTYWXRM-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHLWZGFDPHYHFW-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEVXURQPTLAWMO-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZASGZDGOUHJO-UHFFFAOYSA-N", "SMILES:CCN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYWAILAMNBDNKK-UHFFFAOYSA-N", "SMILES:CC(C)N(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMZWPKWVVKWVDT-UHFFFAOYSA-N", "SMILES:O=C(NCCCN(Cc1ccccc1)C1CC1)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLRKJLHBCPYEDK-UHFFFAOYSA-N", "SMILES:CCCN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCJBGROSCNMSRV-UHFFFAOYSA-N", "SMILES:CCCCN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGRAEFZTODBDFT-UHFFFAOYSA-N", "SMILES:O=C(NCCCN(CCCO)Cc1ccccc1)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHAAJXIYLDSYRV-UHFFFAOYSA-N", "SMILES:O=C(NCCCN(CCc1ccccc1)Cc1ccccc1)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODYDCGSIBBNEST-UHFFFAOYSA-N", "SMILES:O=C(NCCCN(CCCc1ccccc1)Cc1ccccc1)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAYCXWSRBHXHEA-UHFFFAOYSA-N", "SMILES:CCN(CCCNC(=O)c1ccc(-c2cccc(F)c2)s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFCRBQHQFIODK-UHFFFAOYSA-N", "SMILES:CCN(CCCNC(=O)c1ccc(-c2cccc(F)c2)s1)Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGYWTCBJVYXQKO-UHFFFAOYSA-N", "SMILES:O=C(NCCCNCc1ccccc1)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDRUKPNNMMHQHY-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCc2ccccc2C1)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDJIFKIBGKLBT-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1ccc(-c2ccccc2)s1)Cc1cccc(NC(=O)c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDMQPASPJKECDD-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)C1CCN(CCCNC(=O)c2ccc(-c3ccccc3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFEXUWCGOQWLRU-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCCC(CNC(=O)c2ccc(-c3ccccc3)s2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXXODGSVMIEBQ-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCN(Cc2ccccc2)C1)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQBNYYNDFRQYTC-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBMHPRNFURWQI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CNC(=O)c2ccc(-c3ccccc3)s2)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFBXMGXBRMDGII-UHFFFAOYSA-N", "SMILES:CN1CCCC1CCNC(=O)c1csc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMNVNDOIQRNJHT-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2csc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHXCLRNNWLJTCS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CCCNCc2csc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYSAFZJVBVZJJO-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)C1CCN(Cc2csc(-c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEZATCFWCZWRG-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc3ccccc3s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2013230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRRRKAXHMGUHZ-XDJHFCHBSA-N", "SMILES:COc1cc(C(=O)N(CCC2CCCN2C)C/C(C)=C/c2ccccc2F)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLUPNSOZYSAORX-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CN2CCCN(C(=O)c3ccc(-c4ccccc4)s3)CC2)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1570388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCNIHAAXEJQLPY-UHFFFAOYSA-N", "SMILES:CN(CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFSFUDYGWTRGX-FQEVSTJZSA-N", "SMILES:Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUNAZSUROMMAF-IBGZPJMESA-N", "SMILES:COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDKPYHRFBNCZIO-FQEVSTJZSA-N", "SMILES:CCOC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIXPZAHPHKWJJ-IBGZPJMESA-N", "SMILES:CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOGTXNMDTGYBMD-IBGZPJMESA-N", "SMILES:CS(=O)(=O)c1nccc(C(=O)N2CCC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYHIOVAQNFZVLW-QFIPXVFZSA-N", "SMILES:CCCCS(=O)(=O)c1nccc(C(=O)N2CCC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXRDCNOKQDEVHD-QHCPKHFHSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@H]1CCCN(C(=O)c2ccnc(S(=O)(=O)c3ccccc3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GATFTXMYSKKCDL-SFHVURJKSA-N", "SMILES:CS(=O)(=O)c1ncc(Cl)c(C(=O)N2CCC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSDHJNWHZWBKAK-FQEVSTJZSA-N", "SMILES:CS(=O)(=O)c1ncc(C(=O)N2CCC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIXMRQIWEMBFKW-QHCPKHFHSA-N", "SMILES:CCCCS(=O)(=O)c1ncc(C(=O)N2CCC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTGGOTVDCMVEF-DEOSSOPVSA-N", "SMILES:Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@H]1CCCN(C(=O)c2cnc(S(=O)(=O)c3ccccc3)nc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRTGVDSIUYJKFP-UHFFFAOYSA-N", "SMILES:CN1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQRDWJIGVISFZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1C(=O)N1CCC2(CC1)CC(N1Cc3cc4c(cc3C1)C(=O)N(C1CCC(=O)NC1=O)C4)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXEZSPAYGZVVCZ-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cc(OC)c(C(=O)N3CCC4(CCC(CN5Cc6cc7c(cc6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)c(OC)c2)c2ccncc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5267184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIOCFZJGGGEWDK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC(=O)NCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXUQMFHSNFYGK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC2(CC1)CC(N1Cc3cc4c(cc3C1)C(=O)N(C1CCC(=O)NC1=O)C4)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWBNVQLKNYZDJQ-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2cc(OC)c(CN3CCC4(CCC(CN5Cc6cc7c(cc6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)c(OC)c2)c2ccncc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDJBXBDZRDWNR-RWYJCYHVSA-N", "SMILES:C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc([C@]5(c6nncn6C)C[C@@H](C)C5)c4)c(=O)n3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNXVMILWZUOFQU-NXHRWCDGSA-N", "SMILES:Cn1cnnc1[C@]1(c2cccc(-n3nc4c(C(F)(F)F)cccn4c3=O)c2)C[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTBDAFJNXLGDP-RWYJCYHVSA-N", "SMILES:C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc([C@]5(C(=O)N(C)C)C[C@@H](C)C5)c4)c(=O)n3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRMLHYLVPLNXCV-QSAFDGGLSA-N", "SMILES:CNC(=O)[C@]1(c2cccc(-n3nc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)c2)C[C@H](C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJMGLEDIZLGUTG-INIZCTEOSA-N", "SMILES:C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc(C5(C)CC(=O)NC(=O)C5)c4)c(=O)n3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNNGOKAOZYGEFA-SSOJOUAXSA-N", "SMILES:C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc([C@]5(C)CCNC(=O)C5)c4)c(=O)n3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNNGOKAOZYGEFA-GKVSMKOHSA-N", "SMILES:C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc([C@@]5(C)CCNC(=O)C5)c4)c(=O)n3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMFIZVTXPICVJA-GPCKLQJOSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJHAVQLUTIGEJB-OAQYLSRUSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@]3(C)CCNC(=O)C3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJHAVQLUTIGEJB-NRFANRHFSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@@]3(C)CCNC(=O)C3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEVKVDLYMGMTDW-FQEVSTJZSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@]3(C)CCNC(=O)O3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVCBVOSRDBMIPM-NRFANRHFSA-N", "SMILES:CC[C@@]1(c2cccc(NC(=O)c3cc(C)nc(C4CC4)n3)c2)CCNC(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSHOZLJIDDUIQL-JOCHJYFZSA-N", "SMILES:Cc1cc(C(=O)Nc2cccc([C@]3(C4CC4)CCNC(=O)O3)c2)nc(C2CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFYSXVVCYZMHCI-MRDQGFSESA-N", "SMILES:C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc([C@]5(C6CC6)CCNC(=O)O5)c4)c(=O)n3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFYSXVVCYZMHCI-QLXKLKPCSA-N", "SMILES:C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc([C@@]5(C6CC6)CCNC(=O)O5)c4)c(=O)n3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEOPXKYXXMEWQZ-GOSISDBHSA-N", "SMILES:O=C1NCC[C@](c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)(C2CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEOPXKYXXMEWQZ-SFHVURJKSA-N", "SMILES:O=C1NCC[C@@](c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)(C2CC2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCVWMQGZWWRXEL-HPNTXQQZSA-N", "SMILES:Cl.O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1ccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYOPEUUFYBMBFA-HSDXSPTGSA-N", "SMILES:CC(CCc1cnnn1[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O)C(=O)O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLSGINVOYVTZBL-ARHYHGMQSA-N", "SMILES:Cl.O=C(O)CCCc1cnnn1[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMIJKQHSLJULBS-FWDPORAESA-N", "SMILES:O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1nncc1-c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZNZABSAWOGSPB-NPLJWMOXSA-N", "SMILES:Cl.O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1nncc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATKROBXGHLTDE-ZVZYQTTQSA-N", "SMILES:O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1nncc1-c1ccc2cc(O)ccc2c1"]}
{"name": "Glutamate receptor ionotropic, kainate 5", "xref": ["CHEMBL.TARGET:CHEMBL6066209"], "id": "UniProtKB:Q61626", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSZGTNIQEFODJL-HZPCBCDKSA-N", "SMILES:Cl.O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1nncc1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNFOFCZASUSFEW-LRRYJFTCSA-N", "SMILES:Cl.O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1nncc1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTVOLEXUKKIHEW-UFLZEWODSA-N", "SMILES:Cl.O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1nncc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJKKMDMQDMYUQG-JKOKRWQUSA-N", "SMILES:O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1nncc1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQRZHYHVKONGEE-JKOKRWQUSA-N", "SMILES:O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1nncc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSMMKADAAWKINW-WHOFXGATSA-N", "SMILES:COc1cccc(-c2cnnn2[C@H]2CN[C@H](C(=O)O)[C@H]2CC(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBBHQHCQBSXVGG-JKOKRWQUSA-N", "SMILES:Nc1cccc(-c2cn([C@H]3CN[C@H](C(=O)O)[C@H]3CC(=O)O)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIOCHJFMKBEBNC-CHIMOYNISA-N", "SMILES:O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1nncc1-c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDBBGHQXIRZULO-NOLJZWGESA-N", "SMILES:CCc1ccc(-c2cnnn2[C@H]2CN[C@H](C(=O)O)[C@H]2CC(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVZSUQKMLYYSBH-GAFUQQFSSA-N", "SMILES:O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1n1nncc1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1232313", "category": ["biolink:ChemicalEntity"], "name": "DOMOIC ACID", "xref": ["InChIKey:VZFRNCSOCOPNDB-AOKDLOFSSA-N", "SMILES:C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL275040", "category": ["biolink:ChemicalEntity"], "name": "KAINIC ACID", "xref": ["InChIKey:VLSMHEGGTFMBBZ-OOZYFLPDSA-N", "SMILES:C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"], "synonym": ["Kainic acid", "Acide kainique", "Acido kainico", "Digenic acid", "Digenin", "Helminal", "NSC-759587"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4756304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWXNEBSQRIECMV-PJKMHFRUSA-N", "SMILES:O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1c1ccc(C(=O)O)[nH]c1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL351031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSMYHXFFKXKZRN-SBMIAAHKSA-N", "SMILES:O=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZFRNCSOCOPNDB-UQJDIMSYSA-N", "SMILES:C/C(=C/C=C/[C@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5590005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZFRNCSOCOPNDB-PQKHEMERSA-N", "SMILES:C/C(=C/C=C\\[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL482097", "category": ["biolink:ChemicalEntity"], "name": "DOMORIC ACID", "xref": ["InChIKey:VZFRNCSOCOPNDB-JIUSADRUSA-N", "SMILES:C/C(=C\\C=C\\[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5589717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZFRNCSOCOPNDB-LNVQSPMDSA-N", "SMILES:C/C(=C\\C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5589739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEHDXJSAUSRUGS-XDTMEGJNSA-N", "SMILES:C/C(=C/CC[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDAJBUQQWFXHDM-UUYKTWPLSA-N", "SMILES:C/C(=C/C/C=C(\\C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5591927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTOIXOMBUVTTG-JOCHJYFZSA-N", "SMILES:CN1C(=O)c2c(F)cc(-c3cnn(C)c3)cc2N2C(=O)CC[C@@]12C(=O)Nc1cncc(Cl)c1"]}
{"name": "P-type sodium-transporting ATPase4", "xref": ["CHEMBL.TARGET:CHEMBL6066156"], "id": "UniProtKB:A0A143ZZK9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXTOIXOMBUVTTG-QFIPXVFZSA-N", "SMILES:CN1C(=O)c2c(F)cc(-c3cnn(C)c3)cc2N2C(=O)CC[C@]12C(=O)Nc1cncc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXSADKGUEBUMLH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTRLPBJDLDKLMQ-UHFFFAOYSA-N", "SMILES:CC(CO)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKOBREVQPHXIFW-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2ccc(Cl)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMLCXOMLAPNOR-UHFFFAOYSA-N", "SMILES:CC(c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTVWQHALPXLUBD-UHFFFAOYSA-N", "SMILES:CC(c1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKXPAMIHRFVLD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(C(=O)Cc3ccc(CC(F)(F)F)cc3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYVTZZZOKPCQN-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(CC(F)(F)F)cc1)N1CCN(c2ccc(Cl)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAQFNXVJXPMMLX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBMSPPXUVUNMB-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc(Cl)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUIXGIQQURRSDA-UHFFFAOYSA-N", "SMILES:CC(CF)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZGRSIMGJMUFMC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUKLCDKNRBGLKK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKQHKPWNUNHPCQ-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTBACXQEJZGLEI-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTVOFVYFNMNPON-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVGVKTZXYYUWKQ-UHFFFAOYSA-N", "SMILES:CC(C)c1ncc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGPFQYFCCUMLH-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIGJXYUBWNRDGE-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDZXVXWCRYXAOH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595360", "category": ["biolink:ChemicalEntity"], "name": "CLAZIPROTAMIDE", "xref": ["InChIKey:GGZFNPBICDFCKG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2ccc(Cl)nn2)CC1"], "synonym": ["Claziprotamide", "Claziprotamide", "Claziprotamida"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOXEUXHHCGQMM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3F)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCYJBHQKFUNHGO-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C2CC2)cc1F)N1CCN(c2ccc(Cl)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYCIYZZXWFMNC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCN(C(=O)Cc3cc(F)c(C4CC4)c(F)c3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKWJISVPHUTEEB-UHFFFAOYSA-N", "SMILES:O=C(Cc1cc(F)c(C2CC2)c(F)c1)N1CCN(c2ccc(Cl)nn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAFGWPIUBGKGI-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)nn2)CCN1C(=O)Cc1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAFGWPIUBGKGI-HNNXBMFYSA-N", "SMILES:C[C@H]1CN(c2ccc(C#N)nn2)CCN1C(=O)Cc1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRACXMJXSMNQI-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2ccc(Cl)nn2)CCN1C(=O)Cc1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRACXMJXSMNQI-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(c2ccc(Cl)nn2)CCN1C(=O)Cc1ccc(C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYRSQWBGNGDHPW-CQSZACIVSA-N", "SMILES:C[C@@H]1CN(c2ccc(C#N)nn2)CCN1C(=O)Cc1ccc(C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYRSQWBGNGDHPW-AWEZNQCLSA-N", "SMILES:C[C@H]1CN(c2ccc(C#N)nn2)CCN1C(=O)Cc1ccc(C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVZJHRMNNHAHE-CYBMUJFWSA-N", "SMILES:C[C@@H]1CN(c2ccc(Cl)nn2)CCN1C(=O)Cc1ccc(C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVZJHRMNNHAHE-ZDUSSCGKSA-N", "SMILES:C[C@H]1CN(c2ccc(Cl)nn2)CCN1C(=O)Cc1ccc(C2CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTSXIGCZIWGMG-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(Nc2cccc3sccc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3431286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUFCXVOCIXGJIT-UHFFFAOYSA-N", "SMILES:Cc1[nH]nc(Nc2ccnc3[nH]ccc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHVQTRMXTXRCRC-FQEVSTJZSA-N", "SMILES:Cc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N4CCOC[C@@H]4C)ccc3N3CCCC3)[nH]c2c1"]}
{"name": "Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A", "xref": ["CHEMBL.TARGET:CHEMBL6066234"], "id": "UniProtKB:P46977", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3B", "xref": ["CHEMBL.TARGET:CHEMBL6066236"], "id": "UniProtKB:Q8TCJ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRLDBMBSWOIZJR-HNNXBMFYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(N2CC[C@H](O)C2)c(-c2cc3ccccc3[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVQXXKKPIRCCIU-DEOSSOPVSA-N", "SMILES:O=C([C@@H]1CCN1S(=O)(=O)c1ccc(N2CCC(F)(F)C2)c(-c2cc3ccccc3[nH]2)c1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIJWPGRRLKRNBG-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2093812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIROGKPROQQYGE-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWGPIEFWVLKHDE-UHFFFAOYSA-N", "SMILES:Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)[nH]c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCUIMDYFVVPJDP-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBGKGZBSXGKIB-UHFFFAOYSA-N", "SMILES:Cc1nc(-n2nc(-c3ccccc3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)[nH]c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUULCRBDMXRMSZ-UHFFFAOYSA-N", "SMILES:Cc1nc(-n2nc(-c3ccccc3)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)[nH]c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRFYWNBAPUFKGC-UHFFFAOYSA-N", "SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBSUCFUKUYBQLH-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)C1(c2ccc(Cl)cc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWHPQGJJMGZKV-UHFFFAOYSA-N", "SMILES:CC(CCNC(=O)c1ccccc1)C(NS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLZHEWIMJLHYQI-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(OCc3ccc(F)cc3Cl)cc2)(C(=O)NO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYNRCIAHZNZKOZ-RUZDIDTESA-N", "SMILES:O=C(NO)[C@H](NS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHBAOENFEKRBLY-AREMUKBSSA-N", "SMILES:O=C(NO)[C@@H](CC1CCN(C(=O)c2ccccc2)CC1)NS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSTVJYXBPSVIF-HSZRJFAPSA-N", "SMILES:O=C(NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1)C(=O)NO)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNBHJTYIJMLFLC-XMMPIXPASA-N", "SMILES:O=C(NO)[C@H](NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZJSIDSSGZFOCC-RUZDIDTESA-N", "SMILES:CN([C@@H](C(=O)NO)C1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWIFKXZYXNGXDF-XMMPIXPASA-N", "SMILES:O=C(NO)[C@H](NS(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1)C1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITOCNBUUDLLSTD-RUZDIDTESA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)NO)C3CCN(C(=O)c4ccccc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQWUQCXSKEXGA-XMMPIXPASA-N", "SMILES:O=C(NO)[C@H](NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUWIWUSWOQBPEP-AREMUKBSSA-N", "SMILES:CN(C)c1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)NO)C3CCN(C(=O)c4ccccc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYJBCWXNFAUXOO-MUUNZHRXSA-N", "SMILES:O=C(NO)[C@H](NS(=O)(=O)c1ccc(-c2ccc(N3CCOCC3)cc2)cc1)C1CCN(C(=O)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1765367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDUPIYKMBPUQSZ-UHFFFAOYSA-N", "SMILES:O=C(Cn1cc(-c2c(-c3ccccc3)oc3cc(O)c(C(=O)O)cc23)nn1)Nc1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVRLCWZHFXATFE-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2ccn3c(-c4cnc5ccccc5n4)cnc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1090777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHWNKRPMUBFWKE-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXAGUFHJRHARSG-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n(CC(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGJFDUAMPQCXIH-GOSISDBHSA-N", "SMILES:Cc1ccn2c(-c3ccnc(N[C@H](C)c4ccccc4)c3)c(-c3ccc(F)cc3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3618245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYNZEXDVRAZUPW-UHFFFAOYSA-N", "SMILES:COc1ncc(Nc2nc3ccc(C(C)(C)O)cn3c2-c2nc(C)nc(N)n2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL73243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDXDUTOQTGQWJD-UHFFFAOYSA-N", "SMILES:COCCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNSNSKORUDURL-FRKPEAEDSA-N", "SMILES:O=C1NN=C(/N=C/c2cccc(O)c2)C1c1ccc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDMADPROREDQJ-CAOOACKPSA-N", "SMILES:COc1ccc(/C=N/C2=NNC(=O)C2c2ccc(Cl)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICDSJXFGHZUWFH-REZTVBANSA-N", "SMILES:O=C1NN=C(/N=C/c2ccc(Cl)cc2)C1c1ccc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNPIRGWGKFWZNF-REZTVBANSA-N", "SMILES:O=C1NN=C(/N=C/c2cccc(Br)c2)C1c1ccc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOENMZNSDCQIPO-REZTVBANSA-N", "SMILES:O=C1NN=C(/N=C/c2ccc(Br)cc2)C1c1ccc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQLLFMFUJZSRNU-UFWORHAWSA-N", "SMILES:COc1cc(/C=N/C2=NNC(=O)C2c2ccc(Cl)nn2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZYLEJKXQKMYAI-REZTVBANSA-N", "SMILES:NC1=NN=C(/N=C/c2cccc(O)c2)C1c1ccc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWUVZSFIBSMELP-QGMBQPNBSA-N", "SMILES:COc1ccc(/C=N/C2=NN=C(N)C2c2ccc(Cl)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXMGDASMKDBSLO-CNHKJKLMSA-N", "SMILES:NC1=NN=C(/N=C/c2ccc(Cl)cc2)C1c1ccc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYUJPVIDABKJNR-CNHKJKLMSA-N", "SMILES:NC1=NN=C(/N=C/c2cccc(Br)c2)C1c1ccc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOIGRXYDVUDIGO-CNHKJKLMSA-N", "SMILES:NC1=NN=C(/N=C/c2ccc(Br)cc2)C1c1ccc(Cl)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQOKTTMHRDSUKU-DNTJNYDQSA-N", "SMILES:COc1cc(/C=N/C2=NN=C(N)C2c2ccc(Cl)nn2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPKUGHTCJDYPX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(F)(F)F)nn2C2=NNC(Cl)C=C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFRNXBXEIEBFN-UNSJSYENSA-N", "SMILES:O=C1NNC(/N=C\\Cc2ccc([N+](=O)[O-])cc2)/C1=N\\Nc1ccc(-c2nc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKAIASHUPOJOEI-NRVJXLISSA-N", "SMILES:N=C1/C(=N/Nc2ccc(Cl)cc2)C(N)=NN1c1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCONIYHHMDBNPX-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(N4CCN(CCCCCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNBEZLJAQUZEX-BPYLYCJUSA-N", "SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](NC(=O)c2cnc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)cn2)C[C@@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLWJNFIWBHIIPJ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCC(=O)Nc4ccc(N5Cc6ccc(O)cc6OC5=O)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHUIDHIWSXXQJ-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCC(=O)Nc4ccc(N5Cc6ccc(O)cc6OC5=O)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQPSGZCAWSOJJH-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCCCC(=O)Nc4ccc(N5Cc6ccc(O)cc6OC5=O)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAHDZDUOFHMMEA-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCCCCC(=O)Nc4ccc(N5Cc6ccc(O)cc6OC5=O)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGMKYGNUVZASF-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(NCCCCCCCCCC(=O)Nc4ccc(N5Cc6ccc(O)cc6OC5=O)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJFPENGEMHTUFD-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCC(N2C(=O)c3cccc(NCCCCCCCC(=O)Nc4ccc(N5Cc6ccc(O)cc6OC5=O)cc4)c3C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKQVIAHPYDZQDP-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(-c3ccc(NCc4cccnc4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEBUCFRRPZITAS-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGWAFFAWXLVPSF-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(-c2ccc(NCc3cccnc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQTRLQYQKZCGMI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIUQPYXZCZSVRO-UHFFFAOYSA-N", "SMILES:Fc1ccccc1-c1cc(-c2ccc(NCc3cccnc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOBVQZYGIUDBGU-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYTPABMGIHEJTB-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1-c1cc(-c2ccc(NCc3cccnc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCLPHIJMRWSCJ-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRJMKBTWRAKLIN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1-c1cc(-c2ccc(NCc3cccnc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTCYBQIMFNIKF-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMJVWOITKPBIQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccccc1-c1cc(-c2ccc(NCc3cccnc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZSVROCPWUFCSS-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQNSSDSGQCUIBQ-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccccc1-c1cc(-c2ccc(NCc3cccnc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQLKGWQEOIXTMG-UHFFFAOYSA-N", "SMILES:FC(F)Oc1cccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZDNWNGPFASDIA-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDNKSXONNVYKPI-UHFFFAOYSA-N", "SMILES:c1cncc(CNc2ccc(-c3cc(-c4cccnc4)on3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOWRGVJQHZFVNK-UHFFFAOYSA-N", "SMILES:c1cncc(CNc2ccc(-c3cc(-c4ccncc4)on3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMJQWMQGKUEDEO-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cccnc1-c1cc(-c2ccc(NCc3cccnc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZMAGQVUPZQPLW-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCVBJPJNWNDMLJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1cc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKERNSHNOYXLCJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLIDOJLGHGPVBG-UHFFFAOYSA-N", "SMILES:Fc1cnccc1-c1cc(-c2ccc(NCc3cccnc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBGZPCJAMIHXNS-UHFFFAOYSA-N", "SMILES:c1cnc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEVGYKYJYBKPHV-UHFFFAOYSA-N", "SMILES:c1cncc(CNc2ccc(-c3cc(-c4cncnc4)on3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEJFBFZLBBRYQB-UHFFFAOYSA-N", "SMILES:c1cncc(CNc2ccc(-c3cc(-c4cccs4)on3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5579739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZOXDPFDEMDMPW-UHFFFAOYSA-N", "SMILES:Cn1cccc1-c1cc(-c2ccc(NCc3cccnc3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJPOYMJGUPXNND-UHFFFAOYSA-N", "SMILES:c1cncc(CNc2ccc(-c3cc(N4CCOCC4)on3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNFKQTLWVKXNJY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMDHKFVOAOIPA-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXSHJNDDVKTOJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOFSCYLCKRYRCQ-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNSRSRMRZAVJDC-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccnc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPUZOGYLYLSKG-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMKGFXKFRBNTKD-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVMLQZFVWSLIES-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2cc(-c3ccc(NCc4cccnc4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTAKYQWRXRQYJA-UHFFFAOYSA-O", "SMILES:Cc1cccc(N2C(=O)C[n+]3ccccc3C2C(=O)Nc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIFQCKYPHDRTAU-UHFFFAOYSA-O", "SMILES:CN1C(=O)C[n+]2ccccc2C1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHNIUQLVFPPUIE-UHFFFAOYSA-O", "SMILES:Cc1ccccc1NC(=O)C1c2cccc[n+]2CC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKLKMYRQKOWEEN-UHFFFAOYSA-O", "SMILES:Cc1cccc(C)c1NC(=O)C1c2cccc[n+]2CC(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRZNAVIELLVIGS-UHFFFAOYSA-O", "SMILES:O=C(Nc1ccccc1)C1c2cccc[n+]2CC(=O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYKZUJNNGOVUDB-UHFFFAOYSA-O", "SMILES:CCOc1ccc(NC(=O)C2c3cccc[n+]3CC(=O)N2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGVBYCLGPYHJDB-UHFFFAOYSA-O", "SMILES:Cc1ccccc1N1C(=O)C[n+]2ccccc2C1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNNJBPRQPQNMNI-UHFFFAOYSA-O", "SMILES:O=C(Nc1ccc(Cl)cc1)C1c2cccc[n+]2CC(=O)N1c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCPPPOVHJSKCNH-UHFFFAOYSA-O", "SMILES:Cc1ccc(N2C(=O)C[n+]3ccccc3C2C(=O)Nc2ccccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEHBDHJTKJFJCY-UHFFFAOYSA-O", "SMILES:O=C(Nc1ccc(Cl)cc1)C1c2cccc[n+]2CC(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVHSUEPRLMSFTH-UHFFFAOYSA-O", "SMILES:Cc1cccc(C)c1NC(=O)C1c2cccc[n+]2CC(=O)N1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFGTGHUJKVJHF-UHFFFAOYSA-O", "SMILES:O=C(Nc1ccccc1)C1c2cccc[n+]2CC(=O)N1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHRLNJXCSYGUKO-UHFFFAOYSA-O", "SMILES:O=C(Nc1ccc(Cl)cc1)C1c2cccc[n+]2CC(=O)N1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRQOODOKPXAVRN-UHFFFAOYSA-O", "SMILES:COc1ccc(N2C(=O)C[n+]3ccccc3C2C(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWVCEGPEIWSYFX-UHFFFAOYSA-O", "SMILES:CCOc1ccc(N2C(=O)C[n+]3ccccc3C2C(=O)Nc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIJDVFJPXXDYKZ-UHFFFAOYSA-O", "SMILES:Cc1cc(C)cc(N2C(=O)C[n+]3ccccc3C2C(=O)Nc2ccccc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKQDAKMOLOLGR-UHFFFAOYSA-O", "SMILES:Cc1cc(C)cc(N2C(=O)C[n+]3ccccc3C2C(=O)Nc2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INGZRIKSJKYXTM-UHFFFAOYSA-O", "SMILES:Cc1ccc(N2C(=O)C[n+]3ccccc3C2C(=O)Nc2ccc(Cl)cc2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1620799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAMDQDFKKBOIRB-UHFFFAOYSA-O", "SMILES:O=C(Nc1ccc(Cl)cc1)C1c2cccc[n+]2CC(=O)N1Cc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUFBYQNQKVOGO-UHFFFAOYSA-N", "SMILES:O=C1C2C3C=CC(CO)(O3)C2C(=O)N1c1cc(C(F)(F)F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQZYQLYBVVVROL-XLAORIBOSA-N", "SMILES:CC(C)(C)C(=O)N[C@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)SCCS2)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICGMMLTUQDVAST-ARRBWNDNSA-N", "SMILES:O=C(NC1CCCC1)C(=O)[C@H](CC1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAGVBCRKWPXYRX-LBPRGKRZSA-N", "SMILES:CCCCNC[C@H](O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYSHHZZXEWZRRN-LBPRGKRZSA-N", "SMILES:CCCCNC[C@H](O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUKHTVWJBOPGN-TUDIXAJSSA-N", "SMILES:CCC[C@@H](C)NC[C@H](O)c1cccc(O)c1.CCC[C@@H](C)NC[C@H](O)c1cccc(O)c1.O=S(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTKIHARPVAGGEW-ZWNOBZJWSA-N", "SMILES:CCC[C@@H](C)NC[C@@H](O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZQQFDXKMIMKRX-MFKMUULPSA-N", "SMILES:CCC[C@@H](C)NC[C@H](O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTKIHARPVAGGEW-GWCFXTLKSA-N", "SMILES:CCC[C@H](C)NC[C@H](O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZQQFDXKMIMKRX-GWCFXTLKSA-N", "SMILES:CCC[C@H](C)NC[C@H](O)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOPWVHVFMUQTN-NLPVPVDASA-N", "SMILES:CCC[C@@H]1C[C@H]([C@H](O)c2cccc(F)c2)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOPWVHVFMUQTN-GMSSCWEGSA-N", "SMILES:CCC[C@@H]1C[C@H]([C@@H](O)c2cccc(F)c2)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBCLMIKQEOVQTF-AVGNSLFASA-N", "SMILES:CCC[C@H]1C[C@@H]([C@@H](O)c2cccc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEVDQKNCJAWKDK-HGUPJRGLSA-N", "SMILES:CCC[C@@H]1C[C@@H]([C@@H](O)c2cccc(F)c2)N1.O=C(O)/C=C\\C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBCLMIKQEOVQTF-YNEHKIRRSA-N", "SMILES:CCC[C@H]1C[C@H]([C@H](O)c2cccc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKBXGMWGZXCQW-MBLYYGPHSA-N", "SMILES:CCC[C@@H]1CC[C@H]([C@H](O)c2cccc(F)c2)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKBXGMWGZXCQW-NNNATCHMSA-N", "SMILES:CCC[C@@H]1CC[C@H]([C@@H](O)c2cccc(F)c2)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKQBTCXESOAGPB-IHRRRGAJSA-N", "SMILES:CCC[C@H]1CC[C@@H]([C@@H](O)c2cccc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKBXGMWGZXCQW-FPFZOWOXSA-N", "SMILES:CCC[C@@H]1CC[C@@H]([C@H](O)c2cccc(F)c2)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLKBXGMWGZXCQW-UDYGKFQRSA-N", "SMILES:CCC[C@@H]1CC[C@@H]([C@@H](O)c2cccc(F)c2)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKQBTCXESOAGPB-BFHYXJOUSA-N", "SMILES:CCC[C@H]1CC[C@H]([C@H](O)c2cccc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNBMTYQMFIONM-RFMLDLTKSA-N", "SMILES:CCC[C@@H]1CCC[C@H]([C@H](O)c2cccc(F)c2)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNBMTYQMFIONM-QRWISWEOSA-N", "SMILES:CCC[C@@H]1CCC[C@H]([C@@H](O)c2cccc(F)c2)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNXVKLZYOEIDG-SOUVJXGZSA-N", "SMILES:CCC[C@H]1CCC[C@@H]([C@H](O)c2cccc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNXVKLZYOEIDG-KKUMJFAQSA-N", "SMILES:CCC[C@H]1CCC[C@@H]([C@@H](O)c2cccc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJNBMTYQMFIONM-USAYTKQKSA-N", "SMILES:CCC[C@@H]1CCC[C@@H]([C@H](O)c2cccc(F)c2)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNXVKLZYOEIDG-RRFJBIMHSA-N", "SMILES:CCC[C@H]1CCC[C@H]([C@H](O)c2cccc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNXVKLZYOEIDG-ZNMIVQPWSA-N", "SMILES:CCC[C@H]1CCC[C@H]([C@@H](O)c2cccc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUZEEBNBIMVCJ-IFKKJYDISA-N", "SMILES:CCC[C@@H]1CCCC[C@H]([C@@H](O)c2cccc(F)c2)N1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLSVYDJDEGYQSO-ARFHVFGLSA-N", "SMILES:CCC[C@H]1CCCC[C@H]([C@H](O)c2cccc(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPZCOFCROGWLOY-JOCHJYFZSA-N", "SMILES:O=C([C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cn1)c1ccc2c(=O)[nH]ncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEQLNMFCUDTABD-GMJGJGMMSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTLUEEWIMLXOGL-LJQANCHMSA-N", "SMILES:O=C(O)c1ccc(N(Cc2cnc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(Cl)c(F)c2F)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVONDNFYDPRKFV-UHFFFAOYSA-N", "SMILES:CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(Cl)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBDMHWKHXBSPGM-HHHXNRCGSA-N", "SMILES:Cc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)N(Cc2ccc(C3CCCCC3)cn2)c2ccc(C(=O)O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCQVEHHVOKWUFI-CDWYDQCMSA-N", "SMILES:CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEHUVHMWDYSQTA-TUCVKSJXSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URBHUVBZTUAUAE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPQVGQWSMJCPSX-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(C(=O)Nc2ccc3oc(=O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZXVQGWLIOZAX-YCRREMRBSA-N", "SMILES:COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLJUVKBBQGUHOC-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHADXQKWSFMMPI-XVNBXDOJSA-N", "SMILES:COc1cc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMVZDJYXQTEAM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHRHESCSEKGOBA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUCMTDLNZWKKO-JXMROGBWSA-N", "SMILES:COc1ccc(OC)c(/C=C/C(=O)Nc2cc3ccccc3oc2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCZNCRKAPQUAPL-ACFHMISVSA-N", "SMILES:COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3oc(=O)c(NC(=O)/C=C/c4cc(OC)ccc4OC)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZVYIDZCAVZWPX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVRODZORZJIFLH-ORCRQEGFSA-N", "SMILES:O=C(/C=C/c1cc(O)c(O)c(O)c1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDMOQNBHBVUJW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPFMSJKEUIVIIN-FARCUNLSSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUZPUKFUXOKPRL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIWQGSBLBJPYBK-YCRREMRBSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQDBSBWOVCCUIM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMMQYQGYHFDMOC-LREOWRDNSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1ccc2oc(=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQFIHODRGJZTL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMKXUQIEKOROGZ-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHIKFXZEVFWDHX-UVEKSMONSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1ccc2oc(=O)c(NC(=O)/C=C/c3cc(O)ccc3O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRWSVLDXNVVBSY-VHSXEESVSA-N", "SMILES:CN1C[C@@H]2C[C@H](C1)c1cccc(=S)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIFPTQZZVQFHKM-IUCAKERBSA-N", "SMILES:CN1C[C@@H]2C[C@H](C1=S)c1cccc(=O)n1C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPZWHPOMFWYEW-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccc(Br)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIWQLPFBWWECEB-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)NC(=O)Nc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGKCUHLMDHDWLP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKCYUUNVLRXHSQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CCC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYHZEUYNUPIROJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(Br)s2)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDOXWTHVQKBUMZ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(S(=O)(=O)NC(=O)Nc3c(-c4cccc(OC)c4)ccc4c3CCC4)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYNPCKTWMFAON-UHFFFAOYSA-N", "SMILES:Cc1cccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIIKVYPOXUJXFU-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCBYTRDBVSZWCV-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Br)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZFFMGFBHYAUOO-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPYWGSPEFFAPCL-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKYMOXOAUHCKR-UHFFFAOYSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHGKYQXONKOYQE-ASOAPLHSSA-N", "SMILES:CC1(C)CC[C@H](O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@]12C(=O)[C@@H](CCNS(=O)(=O)/C=C/c4ccccc4)[C@H](CC[C@@H]31)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYIISOOGGAMQKZ-XMEJECMZSA-N", "SMILES:CC1(C)CC[C@H](O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@]12C(=O)[C@@H](CCNS(=O)(=O)c4ccc(C#N)cc4)[C@H](CC[C@@H]31)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVJFRQLAEBNQJU-VBOXJCHESA-N", "SMILES:CC1(C)CC[C@H](O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@]12C(=O)[C@@H](CCNS(=O)(=O)c4ccc(C(F)(F)F)cc4)[C@H](CC[C@@H]31)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUHWVSUNYMYRA-PJNGQUEDSA-N", "SMILES:CN(C)c1cccc2c(S(=O)(=O)NCC[C@@H]3C(=O)[C@]45[C@H](O)[C@H]3CC[C@H]4[C@@]34CO[C@]5(O)[C@@H](O)[C@@H]3C(C)(C)CC[C@@H]4O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYNPSTYXYYZZTI-VAPZJWCKSA-N", "SMILES:Cn1ccc(S(=O)(=O)NCC[C@@H]2C(=O)[C@]34[C@H](O)[C@H]2CC[C@H]3[C@@]23CO[C@]4(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBYJZTVWAXVWOA-OQZXRHQKSA-N", "SMILES:CC1(C)CC[C@H](O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@]12C(=O)[C@@H](CCNS(=O)(=O)c4cccnc4)[C@H](CC[C@@H]31)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MONVBLFRNTYKPE-VBOXJCHESA-N", "SMILES:CC1(C)CC[C@H](O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@]12C(=O)[C@@H](CCNS(=O)(=O)c4ccccc4)[C@H](CC[C@@H]31)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNDYWIQNHFCBL-VBOXJCHESA-N", "SMILES:CC1(C)CC[C@H](O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@]12C(=O)[C@@H](CCNS(=O)(=O)c4ccc(F)cc4)[C@H](CC[C@@H]31)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOAXPGYJRSVCHC-XMEJECMZSA-N", "SMILES:COc1ccc(S(=O)(=O)NCC[C@@H]2C(=O)[C@]34[C@H](O)[C@H]2CC[C@H]3[C@@]23CO[C@]4(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSGSFAQOHQBLN-VPXAMJTFSA-N", "SMILES:CC1(C)CC[C@H](O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@]12C(=O)[C@@H](CCNS(=O)(=O)c4ccsc4)[C@H](CC[C@@H]31)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKPNCWGZDAUHG-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(-c2ccc(NCc3ccc(OCCF)cc3)cc2)c(COCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL425048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHNPYJODGMGFSJ-UHFFFAOYSA-N", "SMILES:Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGGQRXBUPJKFQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CO)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHGGQRXBUPJKFQ-QFIPXVFZSA-N", "SMILES:Cc1ccc(C[C@@H](CO)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIUBWNIAGQPVRV-QHCPKHFHSA-N", "SMILES:COC[C@H](Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTYPUGRRHVHACC-DEOSSOPVSA-N", "SMILES:CCOC[C@H](Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALDNASEAMOSET-VWLOTQADSA-N", "SMILES:CCCOC[C@H](Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCRWBFUCLSMAG-DEOSSOPVSA-N", "SMILES:COCOC[C@H](Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHIRUCBYVSQJSM-VWLOTQADSA-N", "SMILES:COCCOC[C@H](Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKBZYMHYIPPLJD-SANMLTNESA-N", "SMILES:COCCCOC[C@H](Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLMANYNPUIMKGU-SANMLTNESA-N", "SMILES:Cc1ccc(C[C@@H](COCCN(C)C)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVZZINRWRCWIA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CN)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUBIDLZLTGRHRA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CN(C)C)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZQZSGZLGYZRBG-QHCPKHFHSA-N", "SMILES:CSC[C@H](Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSSVXROHQJJHSW-DEOSSOPVSA-N", "SMILES:CCSC[C@H](Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEEPTGWRDDSGSX-VWLOTQADSA-N", "SMILES:Cc1ccc(C[C@@H](CSC(C)C)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVDULTWMYOUDPV-QHCPKHFHSA-N", "SMILES:Cc1ccc(C[C@@H](CS(C)(=O)=O)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPCBJKOUFHJQMG-YNBNEFOKSA-N", "SMILES:Cc1ccc(C[C@@H](C[S+](C)[O-])n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNUGGTHQBCEPCT-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CF)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODFUNDXDTRMGSZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CNS(C)(=O)=O)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTBIVDEFMXNSA-QFIPXVFZSA-N", "SMILES:Cc1ccc(C[C@@H](CNS(=O)(=O)C(F)F)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUEHNINSINXEFC-UHFFFAOYSA-N", "SMILES:COC(=O)NCC(Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFPFHXVJSRKKMF-UHFFFAOYSA-N", "SMILES:CCOC(=O)NCC(Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFPTWZEVRYHAW-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CNC(N)=O)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUOVQKZGUMSVKD-UHFFFAOYSA-N", "SMILES:CNC(=O)NCC(Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VARRXCSBGFHVHZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CNC(=O)N(C)C)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWNKSTXAUAFNCU-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CNC=O)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCRAUQDFVKPSFM-DEOSSOPVSA-N", "SMILES:CC(=O)NC[C@H](Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKQOYKAPATXIQU-UHFFFAOYSA-N", "SMILES:CC(=O)N(C)CC(Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUDRBZCWNITYKJ-UHFFFAOYSA-N", "SMILES:CCC(=O)NCC(Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCKJCAQIDAGGEJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CNC(=O)C2CC2)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXZUCSZMYWJVDR-QHCPKHFHSA-N", "SMILES:Cc1ccc(C[C@@H](CNC(=O)CF)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYDRZUAVKGOPMV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CNC(=O)C(F)(F)F)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFSWTADSYZHUKP-UHFFFAOYSA-N", "SMILES:COCC(=O)NCC(Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWCQUTLXPMTBHQ-QHCPKHFHSA-N", "SMILES:Cc1ccc(C[C@@H](CNC(=O)CC(F)(F)F)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIJIRQGZCFQOA-UHFFFAOYSA-N", "SMILES:CNCC(=O)NCC(Cc1ccc(C)cc1)n1c(=N)n(Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SILJBXJLCUJMJQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CNC(=O)CN(C)C)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVSRMKXOCVSJS-QHCPKHFHSA-N", "SMILES:Cc1ccc(C[C@@H](CNC(=O)CO)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWJPLFZXYZBYSM-URXFXBBRSA-N", "SMILES:Cc1ccc(C[C@@H](CNC(=O)[C@H](C)O)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWJPLFZXYZBYSM-QPPBQGQZSA-N", "SMILES:Cc1ccc(C[C@@H](CNC(=O)[C@@H](C)O)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBJUMPJVTSTSON-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CNC(=O)Cc2ccccn2)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIYOCQCYJQAEAK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CNC(=O)Cc2cccnc2)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXONFKUBKSGBIK-UHFFFAOYSA-N", "SMILES:Cc1ccc(CC(CNC(=O)c2ncco2)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLCYFZMFJQKGP-VWLOTQADSA-N", "SMILES:Cc1ccc(C[C@@H](CNC(=O)c2cccnn2)n2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPLDUGKMCPYTRQ-NRFANRHFSA-N", "SMILES:Cc1ccc(C[C@@H](CO)n2c(=N)n(Cc3ccc(C)cc3)c3cccc(F)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFRMWIZCOCCTTD-AKRCKQFNSA-N", "SMILES:COC[C@H](Cc1ccc(C)cc1)n1c(=N)n(C(C)c2ccc(C)cc2)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APKDRFBCTSGBNK-SKCDSABHSA-N", "SMILES:CCC(c1ccc(C)cc1)n1c(=N)n([C@H](COC)Cc2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNORGJYOEDZPDE-ZZHFZYNASA-N", "SMILES:COC[C@H](Cc1ccc(C)cc1)n1c(=N)n(C(CF)c2ccc(C)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZZRJGAIICETHF-XADRRFQNSA-N", "SMILES:COC[C@H](Cc1ccc(C)cc1)n1c(=N)n(C(c2ccc(C)cc2)C(F)F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIPAVZDKQDKQNF-XADRRFQNSA-N", "SMILES:COC[C@H](Cc1ccc(C)cc1)n1c(=N)n(C(c2ccc(C)cc2)C(F)(F)F)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNHJSBFJISDYKR-ALLRNTDFSA-N", "SMILES:COC[C@H](Cc1ccc(C)cc1)n1c(=N)n(C(c2ccc(C)cc2)C2CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEVLZTYQOHASIC-FHZUCYEKSA-N", "SMILES:COCOC[C@H](Cc1ccc(C)cc1)n1c(=N)n(C(C)c2ccc(C)cc2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEOYYTJKRQXXMU-TUXUZCGSSA-N", "SMILES:COCCOC[C@H](Cc1ccc(C)cc1)n1c(=N)n(C(C)c2ccc(C)cc2)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUMQZBCTLQOTEA-GWQXNCQPSA-N", "SMILES:Cc1ccc(C[C@@H](CC#N)n2c(=N)n(C(C)c3ccc(C)cc3)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPHZDMLRKNMGQK-FHZUCYEKSA-N", "SMILES:Cc1ccc(C[C@@H](CNC(=O)CO)n2c(=N)n(C(C)c3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDFPJNQTMUOHFH-GMMLNUAGSA-N", "SMILES:Cc1ccc(C[C@@H](CNC(=O)CO)n2c(=N)n(C(c3ccc(C)cc3)C3CC3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNKBIBPIALTCSH-GMMLNUAGSA-N", "SMILES:Cc1ccc(C[C@@H](CNC(=O)CO)n2c(=N)n(C(c3ccc(C)cc3)C(C)C)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIZMJSPORAEHOB-AKRCKQFNSA-N", "SMILES:Cc1ccc(C[C@@H](CNC(=O)CO)n2c(=N)n(C(C)c3ccc(C)cc3)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEJRZAHCBBDPIN-TUXUZCGSSA-N", "SMILES:Cc1ccc(C[C@@H](COCCC#N)n2c(=N)n(C(C)c3ccc(C)cc3)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGPIJLZLBRLAQQ-IZCXSWDTSA-N", "SMILES:Cc1ccc(C[C@@H](C(=O)N2CCC(O)CC2)n2c(=N)n(C(C)c3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGFWWKLUTCFCSA-YQAGWJQESA-N", "SMILES:Cc1ccc(C[C@@H](C(=O)N2CC(O)C2)n2c(=N)n(C(C)c3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXWHUOBHOUKMQ-WNWQKLGWSA-N", "SMILES:Cc1ccc(C[C@@H](C(=O)N2CC(C#N)C2)n2c(=N)n(C(C)c3ccc(C)cc3)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYTRELALXGTYAT-UQTORGHUSA-N", "SMILES:Cc1ccc(C[C@@H](C(=O)N2CC(C#N)C2)n2c(=N)n(C(C)c3ccc(C)cc3)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMSWMKVEIYCXFN-XGCAABAXSA-N", "SMILES:Cc1ccc(C[C@@H](C(=O)N2CC3(COC3)C2)n2c(=N)n(C(C)c3ccc(C)cc3)c3cccnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1970879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNWFTYYYCSSTF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL189338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNYTBZWCMNSRO-AWEZNQCLSA-N", "SMILES:Cc1cccc(Cl)c1Nc1nc2ccc(N3CCN[C@@H](C)C3)nc2n2cncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISBWZUCWSZVLJT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4ccc([N+](=O)[O-])c(OCC(C)C)c4)ccc2C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHTKZGAELIDOAF-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4ccc([N+](=O)[O-])c(OCCc5c[nH]c6ccccc56)c4)ccc2C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWXYBJUQFYOYFL-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)CNC(=O)c4ccc([N+](=O)[O-])c(OCC(C)C)c4)ccc2C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVJKTJRTPJJYDM-QFIPXVFZSA-N", "SMILES:Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)[C@H](C)NC(=O)c4ccc([N+](=O)[O-])c(OCC(C)C)c4)ccc2C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOYSWMFAHLAXEH-VWLOTQADSA-N", "SMILES:COc1ccc(CCOc2cc(C(=O)N[C@@H](C)C(=O)Nc3ccc(C)c(N4Cc5cnc(Nc6ccc(C)nc6)nc5N(C)C4=O)c3)ccc2[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKVPYBQMVIFHRG-GDLZYMKVSA-N", "SMILES:Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)[C@@H](CC(C)C)NC(=O)c4ccc([N+](=O)[O-])c(OCC(C)C)c4)ccc2C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHJBPDREBYBNRT-UMSFTDKQSA-N", "SMILES:Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)c4ccc([N+](=O)[O-])c(OCC(C)C)c4)ccc2C)C3)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVFSRIFTUAMOIR-UHFFFAOYSA-N", "SMILES:CC(C)=CCCC(C)=CCn1cc(CC(N)(P(=O)(O)O)P(=O)(O)O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVFSRIFTUAMOIR-GHXNOFRVSA-N", "SMILES:CC(C)=CCC/C(C)=C\\Cn1cc(CC(N)(P(=O)(O)O)P(=O)(O)O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPZHWPMABLVOR-MDWZMJQESA-N", "SMILES:CC(C)=CCC/C(C)=C/CCn1cc(CC(N)(P(=O)(O)O)P(=O)(O)O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPZHWPMABLVOR-JYRVWZFOSA-N", "SMILES:CC(C)=CCC/C(C)=C\\CCn1cc(CC(N)(P(=O)(O)O)P(=O)(O)O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTVPXOYAKDPRHY-TXICZTDVSA-N", "SMILES:O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"name": "ribose-5-phosphate isomerase", "xref": ["CHEMBL.TARGET:CHEMBL6066832"], "id": "UniProtKB:Q8RU73", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:3562"]}
{"name": "Ribose-5-phosphate isomerase B", "xref": ["CHEMBL.TARGET:CHEMBL6067577"], "id": "UniProtKB:P37351", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83333"]}
{"name": "Ribose-5-phosphate isomerase B", "xref": ["CHEMBL.TARGET:CHEMBL1770044"], "id": "UniProtKB:P9WKD7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJRNYXIOELZBPG-SHXFMUIJSA-N", "SMILES:O=C(O)C(C[C@H]1OC(O)[C@H](O)[C@@H]1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CODWLLHMBXREHM-SOOFDHNKSA-N", "SMILES:O=S(=O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFRNVCVOAUHSFQ-JDJSBBGDSA-N", "SMILES:O=S(=O)(O)CC[C@H]1OC(O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNECGPFIYSOYHF-HZLVTQRSSA-N", "SMILES:O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5595706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHJJOEQEVCSITQ-JDJSBBGDSA-N", "SMILES:O=P(O)(O)CC[C@H]1OC(O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBPQQKVXKFBBKT-ADSCKCJESA-N", "SMILES:CC(C(C(=O)O)C(=O)O)[C@@H](O)[C@@H](O)[C@@H](O)CCP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEXXQFMWRRURIQ-LQGWVIRLSA-N", "SMILES:CC(C(C(=O)O)C(=O)O)[C@@H](O)[C@@H](O)[C@@H](O)CCC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKQWDJKCWYRGBZ-LMSSTIIKSA-N", "SMILES:COc1ccc(CN2[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)Cc3c([nH]c4ccccc34)[C@H]2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWBNAPGTBMABS-XTEPFMGCSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CC3)N2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKITXXDALIHIEC-XTEPFMGCSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CC3)N2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSUSUJKEPHDKQR-XTEPFMGCSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3)N2CC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COAJSLOYKGAEOP-XZOQPEGZSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKGEIQCLVGOON-WIOPSUGQSA-N", "SMILES:COc1ccc([C@H]2N[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)Cc3c2[nH]c2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVIGVIXXAMACE-XZOQPEGZSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJFTKCOTYLIRE-VQTJNVASSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CC3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSYDKNXHXSELKW-FCHUYYIVSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCCC3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSRWNRQECXUNAO-XUZZJYLKSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOLRHFIVLLKJX-DWXRJYCRSA-N", "SMILES:COc1ccc(CN2[C@H](C)c3[nH]c4ccccc4c3C[C@H]2C(=O)NCc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGBQOZFIUFEERN-ZRDIBKRKSA-N", "SMILES:COc1ccc(C(=O)/C=C/C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBQUHVRXQCWGQZ-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)ccc1OC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWQRLHRLFZGQKL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVZNJSZYSIXOEJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)nn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBJSXSMNLXOVGC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHPLFPCKLBZIF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(=O)Oc3ccc(C=O)cc3OC)nn2-c2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGLSVXHGYJMGDP-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTZLXMQBXAOBJF-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLWYDMDDGTUBS-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BINOQQXXFAYAEC-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBQMJAUYRQOADS-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRRKSLYSFAZNEA-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCXSTHSXSXKKNY-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBPOBTDRAZSXLC-UHFFFAOYSA-N", "SMILES:CCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKOPALPTPILNDV-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCC(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJSJTGISSPYFDZ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBBLJKHMGSLKRV-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIDCTWQCDGQBY-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMNBHEAHDDFECK-UHFFFAOYSA-N", "SMILES:CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2COC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPMHHRVFCARLAF-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2ccc(F)c3cn[nH]c23)ccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGATYQCPENIAHS-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYOQCIMBQODJA-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2ccc(Cl)c3cn[nH]c23)ccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJINCBLYAVLFJK-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2ccc(OC)c3cn[nH]c23)ccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVMSMZDCKPENIV-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2ccc(OCF)c3cn[nH]c23)ccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLTMWEURODVVMW-UHFFFAOYSA-N", "SMILES:CCOc1cc(C(=O)N(C)Cc2ccc(C)c3cn[nH]c23)ccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGNBSYFQALFRLX-DHRITJCHSA-N", "SMILES:CC1(C)C=Cc2c(ccc3cc(C(=O)N/N=C/c4ccc5cccc(O)c5n4)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDRVBQFGMRJNW-VULFUBBASA-N", "SMILES:CC1(C)C=Cc2c(ccc3cc(C(=O)N/N=C/c4cnc5ccccc5c4)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFFDXVFTCWPFEI-VULFUBBASA-N", "SMILES:CC1(C)C=Cc2c(ccc3cc(C(=O)N/N=C/c4ccnc5ccccc45)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWTCUUDOFVIVEV-VULFUBBASA-N", "SMILES:CC1(C)C=Cc2c(ccc3cc(C(=O)N/N=C/c4cccc5ncccc45)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRNQNYBKLHWALW-VULFUBBASA-N", "SMILES:CC1(C)C=Cc2c(ccc3cc(C(=O)N/N=C/c4ccc5ncccc5c4)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBLNLYXYOSECJ-VULFUBBASA-N", "SMILES:CC1(C)C=Cc2c(ccc3cc(C(=O)N/N=C/c4cccc5cccnc45)oc23)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFNBUCVNFLVKA-KOQYOMKWSA-M", "SMILES:CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUPKDTDSHGKFOH-RRAVCSQWSA-M", "SMILES:COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2OC(=O)c2ccccc2)C1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWXKNFLOADJAMJ-FDHRMNONSA-M", "SMILES:CC[C@H]1CCC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2OC(=O)c2ccccc2)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUQRMDDUYCBSCM-ZGCZVLMESA-J", "SMILES:CC[C@H]1C(C(=O)NCCCc2cn(CCCCC(=O)Nc3cc(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)nn2)CC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2OC(=O)c2ccccc2)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMHMVYMGAVCKEQ-CZODKEPOSA-J", "SMILES:CC[C@H]1C(C(=O)NCCCc2cn(CCCC(=O)Nc3cc(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)nn2)CC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2OC(=O)c2ccccc2)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JALMLQRIUDPEBE-YJEDJGEXSA-J", "SMILES:CC[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2OC(=O)c2ccccc2)CC[C@@H]1C(=O)NCCCc1cn(CCC(=O)Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)nn1.[Na+].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL407747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPKTXZIPPCLPEY-CQHBHFLSSA-M", "SMILES:C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQOVCJXPWANAU-CFFPXWAKSA-M", "SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](C)CCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTOKWUPYIUDOJR-TWHJCXGHSA-M", "SMILES:CC[C@H]1CCC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYNLOCBHMIEMD-UHFFFAOYSA-N", "SMILES:CNc1nccc(CN(CC2CCNCC2)C(=O)CCCCCCN(C(=O)c2ccc(F)cc2)C2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHTXDAMYXQOHE-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccnc(NC)n1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYFNVNQTCQQQCY-UHFFFAOYSA-N", "SMILES:CNc1nccc(CN(CC2CCNCC2)C(=O)CCCCCCN(C(=O)c2ccc(F)cc2)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKISUFUGERXVEU-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccnc(NC)n1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQGFYSDMUVKWKP-UHFFFAOYSA-N", "SMILES:CCN(CCCCCCC(=O)N(Cc1ccnc(NC)n1)CC1CCNCC1)C(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCZVEGTZBGPWTE-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccnc(NC)n1)C(=O)CCCCCCN(CC)C(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAIDVXJWAKMDKG-UHFFFAOYSA-N", "SMILES:CNc1nccc(CN(CC2CCNCC2)C(=O)CCCCCCSc2nnc(CC(C)C)n2Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMYFCCRZDWNSCA-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccnc(NC)n1)C(=O)CCCCCCSc1nnc(CC(C)C)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDNYFLUJCVELDT-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc(C(=O)OC)cc1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRRMHBYKLFPBMU-UHFFFAOYSA-N", "SMILES:CCN(CC1CCN(c2ccc(C(=O)OC)cc2)CC1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYSZAEHWVUZOEN-UHFFFAOYSA-N", "SMILES:CCN(CC1CCN(c2ccc(C(=O)OC)c([N+](=O)[O-])c2)CC1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPAMPNRZCMBPFV-UHFFFAOYSA-N", "SMILES:CCN(CC1CCN(c2ccc(C(=O)O)c([N+](=O)[O-])c2)CC1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZJRPNZMKMLWAI-UHFFFAOYSA-N", "SMILES:CCN(CC1CCN(c2ccc(C(=O)O)c(N)c2)CC1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBWFKGDBODVEPK-UHFFFAOYSA-N", "SMILES:CCN(CC1CCN(c2ccc(C(=O)O)cc2[N+](=O)[O-])CC1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEAHIVKIJKPIBT-UHFFFAOYSA-N", "SMILES:CCN(CC1CCN(c2ccc(C(=O)OC)cc2N)CC1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFDOZBJZBWIIFR-UHFFFAOYSA-N", "SMILES:CCN(CC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWBBCSKXUXMTJY-UHFFFAOYSA-N", "SMILES:CNc1nccc(CN(CC2CCNCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPUTUSRJKJDQQN-ZPLOFBHDSA-N", "SMILES:CNc1nccc(CN(C/C=C/CSC[C@@H](N)C(=O)O)C(=O)CCCCCCN(C(=O)c2ccc(F)cc2)C(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZAUSIOLSESPR-UHFFFAOYSA-N", "SMILES:O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)N(CC1CCCCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYWFVOHKFIFWPL-UHFFFAOYSA-N", "SMILES:CCc1ccc(CN(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL135561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFPROVOIQKYTO-UZLBHIALSA-N", "SMILES:COC(=O)[C@H](CCSC)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL282748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVWPFYDMUFBHBF-CLOONOSVSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUECPDIVYYQQOT-CZLNCXOFSA-N", "SMILES:Cc1cccc2cc(C(=O)NC3CCC(N)CC3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUGFQSECICIPH-DYKSRFSFSA-N", "SMILES:Cc1cccc2cc(C(=O)NC3CCC(NC(=O)CCN)CC3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEEMQZYPIOENMT-UHFFFAOYSA-N", "SMILES:Cc1cccc2cc(C(=O)Nc3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUIXHLNJVJPQY-DKCJOWAZSA-N", "SMILES:CCC(C)N[C@@H](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4580008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUVSLBRVIDEKCY-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4551717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYSGVMMXMTUDLO-UHFFFAOYSA-N", "SMILES:NC(=S)c1cccc(-c2cn(CCO)c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4556344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YROXDOAFLCALCI-UHFFFAOYSA-N", "SMILES:NCc1ccc2c(-c3cccc(C(N)=S)c3)c[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPIOTKHVGCCABB-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cn1c2ccc(Br)cc2c2cc(Br)ccc21)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFGLNSONEHHWTJ-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cn1c2ccc(I)cc2c2cc(I)ccc21)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGYXSITKLEDOE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CC(C(=O)O)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBBNJGBFNBLTF-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cn1c2ccc(Cl)cc2c2cc(Cl)cc(Cl)c21)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKOMGIMKZZXEKO-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cn1c2ccccc2c2ccccc21)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKIQVTRRXYEMPU-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHABRMPWKLUFDC-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c1cc(C)ccc1n2CC(C(=O)O)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWKCRDSUVVTFLP-UHFFFAOYSA-N", "SMILES:O=C(O)C(Cn1c2cc(Br)ccc2c2ccc(Br)cc21)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGYXSITKLEDOE-SANMLTNESA-N", "SMILES:CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHGYXSITKLEDOE-AREMUKBSSA-N", "SMILES:CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBBNJGBFNBLTF-IBGZPJMESA-N", "SMILES:O=C(O)[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)cc(Cl)c21)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBBNJGBFNBLTF-LJQANCHMSA-N", "SMILES:O=C(O)[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)cc(Cl)c21)N1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNLIYLUVPCAWIR-LZYBPNLTSA-N", "SMILES:CN(C)c1ccc(/C=N/c2c(N)n(C)c(=O)[nH]c2=O)cc1"]}
{"name": "Triosephosphate isomerase", "xref": ["CHEMBL.TARGET:CHEMBL4880"], "id": "UniProtKB:P60174", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5222013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSUGHIXMFUMOQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)Nc1nc2ccc(-c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSICEIFWMLSUPK-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccc(F)cc2)oc2cc(-c3ccoc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCOQZBYKBXBZJR-MOSHPQCFSA-N", "SMILES:O=C1Nc2ccccc2/C1=C/c1ccc(OCC(=O)c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURFTJVUUIVVFR-XJARVILUSA-N", "SMILES:COc1cc2c(cc1OCc1ccc(C(=O)Nc3ccccc3N)cc1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAIZDKPXUHYSNL-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTVMLHKUVQWJDT-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL118752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYSCQDBTSDBCGY-UHFFFAOYSA-N", "SMILES:Nc1c2c(nc3ccccc13)CCC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5595908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRSNVBSBCDEKRH-UHFFFAOYSA-N", "SMILES:COc1cc(CNCCCNc2c3c(nc4ccccc24)CCCCC3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYUHXBNPCBEJJ-YYDZXFQBSA-N", "SMILES:C/C(NCCCCNc1c2c(nc3ccccc13)CCCC2)=C(/N=N/c1ccc(C)cc1)C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSBGMPKFLCWHGP-UHFFFAOYSA-N", "SMILES:O=C(CNCCCCNCC(=O)Nc1c2c(nc3c1CCC3)CCCC2)Nc1c2c(nc3c1CCC3)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNSQBUNVLVSCFP-UHFFFAOYSA-N", "SMILES:S=C(NCCCCNC(=S)Nc1c2c(nc3c1CCC3)CCCC2)Nc1c2c(nc3c1CCC3)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQEJEBOCGKSUKW-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(CNCCNc2c3c(nc4ccccc24)CCCCC3)cc(C(C)(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLQMYJNMIRZFMC-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)Oc1ccc2[nH]cc(CCNC(=O)c3ccccc3Nc3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYACRVSEYDEYHN-UHFFFAOYSA-N", "SMILES:CON(C)C(=O)Oc1cc(C)ccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCLYWWBNCQGCMD-UHFFFAOYSA-N", "SMILES:CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFAPBXZQZMJVMN-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)OCc2ccccc2)c1OC(=O)N(C)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUBJIFMMXQEBLI-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)Oc1ccc(C(=O)C2CCC(Cc3ccccc3)CC2)c(OC(=O)N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODORLMFVAVYSGE-UHFFFAOYSA-N", "SMILES:Fc1ccc2c(c1)c1c(n2CCN2CCCCC2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPJIEQJMNSVBM-UHFFFAOYSA-N", "SMILES:c1ccc(CN2CCC(NCCCCCCn3c4ccccc4c4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEIQGNPIFLEVGW-UHFFFAOYSA-N", "SMILES:NNc1nc(NN)nc(NCCNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJTINGYPRBJJTC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)C(NS(=O)(=O)c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBTWPRMAVDNBQG-KARKAFJISA-N", "SMILES:CCCCCCNC(=O)Oc1ccc2c(c1)CN1CCc3ccc(/N=N\\c4ccccc4)cc3C1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMZLXHAPIKESKA-AWEZNQCLSA-N", "SMILES:COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)c2c[nH]c3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHBOSFVKZFSQRM-FSJBWODESA-N", "SMILES:CCNC(=S)N/N=C/c1c(OC)cc(OC)c2c(-c3ccccc3)c[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPGCFOJDVQPHFH-HNNXBMFYSA-N", "SMILES:CCc1[nH]c2ccccc2c1CCN1CCC[C@H](CC)C1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5592469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNQKBILRCWQJR-HHHXNRCGSA-N", "SMILES:CCC(CC)CN[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQYAHLSLFVNRY-LZYBPNLTSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)Cn2c(=O)sc3ccccc32)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTXUEVCDCUDZHB-UHFFFAOYSA-N", "SMILES:CCN(C)C(=O)Oc1ccc(CCCNC(=O)c2cccc3[nH]c(-c4ccccc4O)nc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWDDGVMFEKGIRS-UHFFFAOYSA-N", "SMILES:O=C(Oc1cc(OC(=O)N2CCCCC2)cc(C(O)CN2CCCCC2)c1)N1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSHIIWNVQBDQQB-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVCUMECKDXTOHI-UNUAAEKOSA-M", "SMILES:COc1ccc2c(c1)CC/C(=C\\c1ccc[n+](Cc3ccc(Br)cc3)c1)C2=O.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPJHTSRVSGHQPZ-UHFFFAOYSA-N", "SMILES:CCC(=O)N(CC(=O)Nc1ccccc1C)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNAZRAQTVIAHJO-JMFBPXTISA-N", "SMILES:CC(C)N(Cc1ccccc1)C(=O)/C=C/C=C/c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJURHQOQYBDVLD-CLCOLTQESA-N", "SMILES:[O-]/[N+](=C\\c1ccccc1OCCCN1CCCCC1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSHMORIIRASHMG-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)-c1ccccc1C2NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZYNFZIPBRNNE-UHFFFAOYSA-N", "SMILES:CCCCNC1c2ccccc2-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHOJGNCMVCXDQ-UHFFFAOYSA-M", "SMILES:Cc1cc2c(cc1C)[n+](Cc1ccccc1C)cn2C(c1ccccc1)c1ccccc1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQNWHIUBXMWSBQ-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c3cc(F)ccc3n2CCNC23CC4CC(C)(CC(C)(C4)C2)C3)C1.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOXRAGDBOVKDV-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc(C(C)=O)c(OCc3cn(CCc4c[nH]c5ccccc45)nn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVTIXYCYMBPAFW-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1ccccc1Cl)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHXQVJVENHOUOF-UNOMPAQXSA-N", "SMILES:[O-]/[N+](=C\\c1ccc2cccc(O)c2n1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEGQOZNFUQILIM-UHFFFAOYSA-N", "SMILES:COc1cccc(COC(Cn2ccnc2)c2ccc(F)c(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXQWWCZAJUYHPA-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccc(NC(=O)CCCCCCC(=O)NO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQAVDNDLZPSMGW-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccc(C(=O)NO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXDRJPYSTZHIOE-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC.O=S(=O)(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHDAQPPVLYLRR-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)c2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2n(C2CCCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4555799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKQZYOSWGEGIH-NSHDSACASA-N", "SMILES:Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5499697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPZYYCPZIIPVNT-IBGZPJMESA-N", "SMILES:N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)c5)cc24)CCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCKNXABNZJXAR-KRWDZBQOSA-N", "SMILES:N[C@H]1CCN(c2c3c(nc4ccc(-c5ccncc5)cc24)CCCC3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULOVZVRRWFPAP-UHFFFAOYSA-N", "SMILES:CCC(C(=O)c1ccc(OC)c2oc(C3CC3)cc12)n1cncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JONGTGGJZCVTPS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)C(C)n2cncn2)c2cc(C3CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPPQKITJRUBBW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cn2ccc3ncccc32)c2cc(C3CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJDLNTJZUOLOBM-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cn2cncn2)c2cc(C3CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYVALSSAKIEANV-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Cn2ccnc2)c2cc(C3CC3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMSHLNFAJFWXGN-LVSLSUPGSA-N", "SMILES:CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](OC(=O)CNC(=O)CCCCCCCNc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAGRKGOJHHKWCJ-UHFFFAOYSA-N", "SMILES:O=C(Cc1csc(COc2ccccc2F)n1)N1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMQJXGANIHXQOS-XICOUIIWSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(OCCOCCOCCOCCN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)c3cc(I)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMKHOXVJWLWHC-RDRPBHBLSA-N", "SMILES:COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NCCCCCN2C(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWVWEBNKIIWNTG-HPNXWYHWSA-N", "SMILES:COc1cc(/C=C2/C(=O)N(CCOCCOCCOCCOc3ccc(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cc3)c3ccc(Br)cc32)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNANMKHSDUDGOY-KBVAKVRCSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(OCCCCN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNIRBKNGCCUJD-KBVAKVRCSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(OCCCCN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)c3cc(I)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXKPZWCAXQZMSL-XICOUIIWSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(OCCCCCCCCN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)c3cc(I)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLSLOUORQUGODQ-SBWWSWLISA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(OCCCCCCCCCCCCN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)c3cc(I)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMTNVMQLZSLKQY-KBVAKVRCSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(OCCOCCN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)c3cc(I)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFCTDZXYSUBIB-HNSNBQBZSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(OCCOCCOCCN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)c3cc(I)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDLDJKGYJJLDO-NDZAJKAJSA-N", "SMILES:COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NCCOCCOCCN2C(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SERIXPCGFAAXTB-KCSSXMTESA-N", "SMILES:COc1cc(/C=C2/C(=O)N(CCCCOc3ccc(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cc3)c3ccc(Br)cc32)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJINKGZRCOXOQX-KCSSXMTESA-N", "SMILES:COc1cc(/C=C2/C(=O)N(CCOCCOc3ccc(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cc3)c3ccc(Br)cc32)cc(Br)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGRXQAONWNBOLJ-KBVAKVRCSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(OCCOCCN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVOOVQRVKDEPKO-HNSNBQBZSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(OCCOCCOCCN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBZJTMCAXWQHQD-XICOUIIWSA-N", "SMILES:O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(OCCOCCOCCOCCN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)c3cc(Br)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOXUFBIDXFNFNX-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKEMXMSVUXYHNV-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccccc1F)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVIXNQHEDAJDK-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1cccc(F)c1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWBAVDDXUCBXPF-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc(F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQGJWDYJOPNNLN-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccccc1Cl)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDFXIOUTIUSJHB-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQFVQRJYNQHRAV-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc(Cl)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFUFUBCMHXPCS-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccccc1Br)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMNFQNIPSVOHU-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1cccc(Br)c1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXOVALCFOKGNKI-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc(Br)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOZGGWLGNBZPHE-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=S)NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBOMNADDRKKYOM-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSVYUXWNVBXZDI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWXNVCNAGENQO-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccccc1C(F)(F)F)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUSVERVGJJQCAG-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHUALTZJBIQCJS-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KROKFOMEYNEAEY-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccccc1OC(F)(F)F)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGVVYXZKNQGURB-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXJRMKRVMGZIA-UHFFFAOYSA-N", "SMILES:COc1ccccc1NC(=S)NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFIBJCUNOQFKMM-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWUDQZPPLWRDW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUMAWJBKVVCZIC-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1NC(=S)NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSSWLZJZVSOMRJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYFWQIQOBKNGJ-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRJZBIPERNHAKJ-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1cccc(OCc2ccccc2)c1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFOGBNQOCLONHB-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1cccc([N+](=O)[O-])c1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNAAYHBFNZQGOZ-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMBLWLVCHQIYFW-UHFFFAOYSA-N", "SMILES:O=C(NNC(=S)Nc1ccc(F)c(F)c1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEACAFCQTMHHHH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXZVGUZZTTUWGW-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDMKPTSAPVEKNY-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1NC(=S)NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCHNKNNYNWFVKH-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUFCHPMLDGWKMO-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGONWDYWKVVHMK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGEJYTKVNHMCNE-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGQXQFKZDVZIP-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBWMANUPDBBHGO-FPSMNIFISA-N", "SMILES:OCCC[C@H](O)CCCCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5592567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPNCWXURUAKCD-SLPFLGAUSA-N", "SMILES:Cl.OCCC[C@H](O)CCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPNCWXURUAKCD-ANMSZRTHSA-N", "SMILES:Cl.OCCC[C@@H](O)CCCCCCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPNCWXURUAKCD-PFSRLQKBSA-N", "SMILES:Cl.OCCC[C@H](O)CCCCCCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPNCWXURUAKCD-PUTGYBJYSA-N", "SMILES:Cl.OCCC[C@@H](O)CCCCCCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPNCWXURUAKCD-CEOFRAPUSA-N", "SMILES:Cl.OCCC[C@H](O)CCCCCCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXPPQIQAUQDQP-NYJIBPJDSA-N", "SMILES:CCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOMZXDJQSLVRW-SWCKNIAISA-N", "SMILES:CCCCCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBUXCOFEYBRAY-MHXJNQAMSA-N", "SMILES:CCCCCCCCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVMAVZYMXZJOE-UYNNABTASA-N", "SMILES:CCCCCCCCCCCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXPPQIQAUQDQP-SPBMDOCQSA-N", "SMILES:CCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOMZXDJQSLVRW-LGMIPUOXSA-N", "SMILES:CCCCCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBUXCOFEYBRAY-KTEYECMKSA-N", "SMILES:CCCCCCCCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVMAVZYMXZJOE-IPKIFZQUSA-N", "SMILES:CCCCCCCCCCCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPNCWXURUAKCD-LYHFLWGQSA-N", "SMILES:Cl.OCCC[C@@H](O)CCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBWMANUPDBBHGO-YYWYGQEZSA-N", "SMILES:OCCC[C@@H](O)CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5591053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPNCWXURUAKCD-NAWJJJINSA-N", "SMILES:Cl.OCCC[C@@H](O)CCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPNCWXURUAKCD-FOLPTKTNSA-N", "SMILES:Cl.OCCC[C@H](O)CCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXPPQIQAUQDQP-NZKIOLFWSA-N", "SMILES:CCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULAPCXFVFJWVQP-UBKCAVGVSA-N", "SMILES:CCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKCZLVLMXVCCP-QUSGSVDXSA-N", "SMILES:CCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOMZXDJQSLVRW-GATVXMMLSA-N", "SMILES:CCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMRXXRGSWZMUHN-XAWYEFCRSA-N", "SMILES:CCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDJKNQXHCSNIF-LGOICXCGSA-N", "SMILES:CCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBUXCOFEYBRAY-CBXLNBFDSA-N", "SMILES:CCCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCPSOJCKRZWOIP-GIWQNAIZSA-N", "SMILES:CCCCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYZTQXLIJIXLG-GHNBURODSA-N", "SMILES:CCCCCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVMAVZYMXZJOE-HICYURJWSA-N", "SMILES:CCCCCCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFWZENRPDGHAA-RTBQAPNASA-N", "SMILES:CCCCCCCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXPPQIQAUQDQP-QTYCQEMCSA-N", "SMILES:CCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULAPCXFVFJWVQP-DJRBGSQQSA-N", "SMILES:CCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKCZLVLMXVCCP-DZSHJHBBSA-N", "SMILES:CCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDOMZXDJQSLVRW-IRHSTTBYSA-N", "SMILES:CCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMRXXRGSWZMUHN-RRTCUUOVSA-N", "SMILES:CCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDJKNQXHCSNIF-BQWMRNQGSA-N", "SMILES:CCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBBUXCOFEYBRAY-OZLGWIOWSA-N", "SMILES:CCCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCPSOJCKRZWOIP-CXZFQFMRSA-N", "SMILES:CCCCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSYZTQXLIJIXLG-JYVUFNORSA-N", "SMILES:CCCCCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVMAVZYMXZJOE-LVFGHGIZSA-N", "SMILES:CCCCCCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFWZENRPDGHAA-KRLOPTFASA-N", "SMILES:CCCCCCCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLXQRRFYTVITNY-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCC1CCCO1)c1ccc(Oc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028661", "category": ["biolink:ChemicalEntity"], "name": "AZILSARTAN MEDOXOMIL", "xref": ["InChIKey:QJFSABGVXDWMIW-UHFFFAOYSA-N", "SMILES:CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1"], "synonym": ["Azilsartan medoxomil", "Azilsartan medoxomil", "Azilsartan medoxomil", "Azilsartan medoxomilo", "Azilsartan medoxomil", "Azilsartan medoxomil", "AR-14", "TAK 491", "TAK-491", "Edarbi", "Azilsartan medoxomil"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"name": "Coagulation factor X", "xref": ["CHEMBL.TARGET:CHEMBL3755"], "id": "UniProtKB:Q63207", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXIRKNRHMNHFON-KMAVCZJNSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)C(=O)NCCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWKXLRQUXFNFAS-YIUSCPJYSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)C(=O)NC(CCCc1ccccc1)Cc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPVPBCXDMKGAQP-FBUQYSLZSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)C(=O)N[C@H](COCc1ccccc1)Cc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MODVIBIQWGRYGN-MGWNKBHLSA-N", "SMILES:CCCCc1ccc(OCC[C@H](Cc2ccccc2)NC(=O)C(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(C)=O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUIRXVGIFDLCEV-ZMPXHYMPSA-N", "SMILES:C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1ccccc1)C(=O)C(=O)N[C@H](COCc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFMSVEMPPFLVER-OVOJMXFRSA-N", "SMILES:CC(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)C(=O)N[C@H](COCc1ccccc1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXWDSHFLPIJHPM-SCHFLRGYSA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)C(=O)N[C@H](COCc1ccccc1)Cc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSGJLZWGFILROL-KGZBIEIFSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)C(=O)NCCCCc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLCCKSTFKAEJE-OAQFHQNDSA-N", "SMILES:CC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)C(=O)N[C@H](COCc1ccccc1)Cc1ccccc1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXFTAYSAZHKBJ-FMYROPPKSA-N", "SMILES:CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)C(=O)NCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLOZYOVQCXSFA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCC(c4cccc5c(S(=O)(=O)c6ccccc6)c[nH]c45)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHOVCKKBLXWMJK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCC(c4cccc5c(S(=O)(=O)c6ccccc6)c[nH]c45)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REVKESRNKXNYIF-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCC(c4cccc5c(S(=O)(=O)c6ccccc6)c[nH]c45)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUYECMQLHJEJD-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)c1c[nH]c2c(C3CCN(CCc4c[nH]c5ccc(F)cc45)CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADSPXVLXSDLFJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)c1c[nH]c2c(C3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INMUONCZNWFUBD-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)c1c[nH]c2c(C3CCN(CCc4c[nH]c5ccc(Cl)cc45)CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJVCCLYEGDJQEL-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)c1c[nH]c2c(C3CCN(CCCc4c[nH]c5ccc(Cl)cc45)CC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJYJIQVRLCSXES-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCc2c[nH]c3ccc(C#N)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGQQCOOKIAFPKL-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCc2c[nH]c3ccc(C#N)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFTUFKKXZWNOMQ-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCCc2c[nH]c3ccc(C#N)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVSEBNECYDLKY-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHNPGKFSVMZHGK-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNECUAFEZZZMQE-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCc2c[nH]c3ccc(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVRGVXHJDRBTTR-UHFFFAOYSA-N", "SMILES:Cc1c(OCc2ccccc2)cccc1N1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGQOMGTVMVBTTP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCN(c4cccc5c4[nH]c(=O)n5Cc4ccccc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBMOFVMIJKFHPC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4[nH]c(=O)n5Cc4ccccc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKNBIWQNNFTMHK-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4cccc5c4[nH]c(=O)n5Cc4ccccc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXSPPSDLIRBKR-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(N3CCN(CCc4c[nH]c5ccc(F)cc45)CC3)cccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABFTVVFKDZJZBE-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(N3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)cccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYHBOPBYJJVUMX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(N3CCN(CCc4c[nH]c5ccc(Cl)cc45)CC3)cccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJIZVKWBEVEPDS-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2c(N3CCN(CCCc4c[nH]c5ccc(Cl)cc45)CC3)cccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMELJDFVQVIIMH-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGXIZGYNKRINNY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCXRKRLEOORLDO-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2[nH]cc(CCCCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBDDSEVUUAKPMY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCc4c[nH]c5ccc(F)cc45)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUYPUPBWHCOQR-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKMXCQWRLJQJHO-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCc4c[nH]c5ccc(Cl)cc45)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUVAGSBCUVZYBU-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCc4c[nH]c5ccc(Cl)cc45)CC3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1508", "category": ["biolink:ChemicalEntity"], "name": "ESCITALOPRAM", "xref": ["InChIKey:WSEQXVZVJXJVFP-FQEVSTJZSA-N", "SMILES:CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"], "synonym": ["Escitalopram", "Escitalopram", "Escitalopram", "Escitalopram", "Escitalopram", "Esertia", "Esitol", "LU-26-054", "Cipralex"], "chembl_black_box_warning": "True", "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL500996", "category": ["biolink:ChemicalEntity"], "name": "METHOCTRAMINE HYDROCHLORIDE", "xref": ["InChIKey:CDKGGOUDHGSFAF-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC.Cl.Cl.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIZHSIJZKAWCOQ-BZCSOOKDSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAVLKFJAVBZNL-UXLKUWTBSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)CCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVFKRYSCXQWCOX-FDDVKQOESA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)CCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVFSSPWLOZDSPW-PEIKYJFZSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)CCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BALAYBGYWALXAY-CKOYJSMHSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)CCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUFLUYBLAQALSB-CRUZQWGTSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUKZFXXPDYLWRM-VJOVGYJLSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)CNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWHGDYJGDXDGGU-VRVCTQHMSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)CCNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDDNTPRBLNTVFE-AZAHFTTGSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)CCCNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITADESDIVENSM-KXBAFCEYSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)CCCCNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDHPDOGCZLIDPA-WPRGIUPFSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)CCCCCNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHITZQKFFRFLP-VANDHBMFSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUDYJCWHPYQZFF-GNMFOIHXSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(=O)NCn2cc(/C=C/c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSNDAMKLJJLYPR-GNBZDBDDSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(=O)NCCn2cc(/C=C/c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKDUBTNGOUNIOE-QXUGMMOFSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCC(=O)NCCn2cc(/C=C/c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XROXZTVYOCLWTF-WYGAKCBJSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCC(=O)NCCn2cc(/C=C/c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZZYEIDKVSZGSW-HYTLSWOASA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCC(=O)NCCn2cc(/C=C/c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGMDDPNZSHMYJO-ZJTBIGTQSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)/C=C/C(=O)c4ccccc4)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQGXARVSVIHVGN-SQFADFDGSA-N", "SMILES:COc1ccc(C(=O)/C=C/C(=O)NCCn2cc(/C=C/c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEUSEOGQJUQRJT-CRHBIKGMSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)/C=C/C(=O)c4ccc(F)cc4)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVGKZJCYHNJLDN-CRHBIKGMSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)/C=C/C(=O)c4ccc(Br)cc4)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWXRVBZSPGHFIP-CXLRFSCWSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCN)c3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMLZWOZIYPTVCH-UHFFFAOYSA-N", "SMILES:CN1CCCN(c2ccc(Nc3ncc(Br)c(Nc4ccccc4NS(=O)(=O)C4CC4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOBTYTLFUFDEOL-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(=O)(=O)C3CC3)n2)ccc1N1CCC(N(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHLAGYMKZQTMA-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ncc(Br)c(Nc3ccccc3NS(=O)(=O)C3CC3)n2)ccc1N1CCCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSQWMJVEOJPJL-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCDCUNWZSBKGGZ-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUIAVPZNXWKBRS-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CN2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHVLBOPWTRESRO-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CN2CCC(F)(F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSVNOBORLSDPC-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CCN2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKADGRMLLXXBGY-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CCN2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NANMKEQAFZLLPL-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CCN2CCC(F)(F)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIQHUQXFMQZDSL-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CCN2CCS(=O)(=O)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANTZUMQHHSQMN-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIXUCUAPLODAJE-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJZSRREPKULDQ-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OCCN)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPDWBZXHCHXSFX-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OCCNC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYKGKHZOKXZYFD-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OCCN(C)C)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKYWIFNZDJPACP-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJHERPTGMLTTQ-UHFFFAOYSA-N", "SMILES:CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)NCc1ccc(CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANTZUMQHHSQMN-QHCPKHFHSA-N", "SMILES:CCCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIXUCUAPLODAJE-NRFANRHFSA-N", "SMILES:CCCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJHERPTGMLTTQ-NRFANRHFSA-N", "SMILES:CCCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)NCc1ccc(CN(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL10247", "category": ["biolink:ChemicalEntity"], "name": "THIORPHAN", "xref": ["InChIKey:LJJKNPQAGWVLDQ-UHFFFAOYSA-N", "SMILES:O=C(O)CNC(=O)C(CS)Cc1ccccc1"], "synonym": ["Dl-thiorphan", "Thiorphan", "NSC-727676"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5590074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJSYCOHFPUYIL-NVWDDTSBSA-N", "SMILES:COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c(N(C)C)ncnc43)O[C@@H]2CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAULWFWLHBRAR-XNPNDBCHSA-N", "SMILES:CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](NC(=O)[C@H](CSC(c2ccccc2)c2ccccc2)NC(=O)OC(C)(C)C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZSWBIYGBLIEV-KGNLUTAVSA-N", "SMILES:CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](NC(=O)[C@@H](N)CSC(c2ccccc2)c2ccccc2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3244800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAYZHTXDZMMYRS-KGNLUTAVSA-N", "SMILES:CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)CSC(c2ccccc2)c2ccccc2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNXKAISZZIBAHY-INITUWMMSA-N", "SMILES:CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](NC(=O)[C@H](CSC23CC4CC(CC(C4)C2)C3)NC(=O)OC(C)(C)C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HERNYZLLIUIKRL-ODUMNJGYSA-N", "SMILES:CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](NC(=O)[C@@H](N)CSC23CC4CC(CC(C4)C2)C3)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBJRZGRZWBVKZ-ODUMNJGYSA-N", "SMILES:CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)CSC23CC4CC(CC(C4)C2)C3)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKAULWFWLHBRAR-XLEJMDOOSA-N", "SMILES:CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](NC(=O)[C@@H](CSC(c2ccccc2)c2ccccc2)NC(=O)OC(C)(C)C)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOZSWBIYGBLIEV-DHOXLJNLSA-N", "SMILES:CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](NC(=O)[C@H](N)CSC(c2ccccc2)c2ccccc2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4161892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAYZHTXDZMMYRS-DHOXLJNLSA-N", "SMILES:CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H](N)CSC(c2ccccc2)c2ccccc2)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUBWDUPCTFZRTC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)N1CCc2c([nH]c3ccccc23)C1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPLMVWWUHMNNR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)N1CCc2c([nH]c3ccccc23)C1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKHMYTSCIJZQGT-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCc3c([nH]c4ccccc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPQHOBFCWKZGU-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(C(=O)NO)cc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAWKWZMVTOKWMM-RMKNXTFCSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(/C=C/C(=O)NO)cc1)C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZOSQQGVKOJXRE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCc3c(n(CC4CC4)c4ccc(F)cc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APBDEZWFJFXSON-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCc3[nH]c4ccccc4c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJANBYAVTCKUII-MDZDMXLPSA-N", "SMILES:O=C(/C=C/c1ccc(CN2CCc3[nH]c4ccccc4c3C2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHZSNBMCVMJSHA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCc3[nH]c4ccc(F)cc4c3C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCBYCIZUNPJYKX-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C(=O)NO)cc1)CC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKQWDJKCWYRGBZ-PXJZQJOASA-N", "SMILES:COc1ccc(CN2[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)Cc3c([nH]c4ccccc34)[C@@H]2C2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUDLXALGIXHFKE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKARFGVXTRBGDG-YSYJVYGXSA-M", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCn2cc(COc3ccc(COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C(O)S(=O)(=O)[O-])cc3)nn2)C(C)(C)C)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPWOPFCHHBSUKB-UBCBJBLPSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCn2cc(COc3ccc(COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]4CCNC4=O)cc3)nn2)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWXSDGQWQAACSN-NSICTAEPSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CN=C=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBCWEUHHNXDXBV-OCUNRLNVSA-N", "SMILES:C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CN=C=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJYKSBZWEUCEOE-LOJYZMETSA-N", "SMILES:CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)CN=C=S)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGLKWLVOAFQOA-MAGHMFJVSA-N", "SMILES:CCCCC(=O)O[C@]1(C(=O)COC(=O)CN=C=S)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRIFWQDAKLJOTO-IZMFMFEXSA-N", "SMILES:C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](C3CCCCC3)O[C@]12C(=O)COC(=O)CN=C=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOJZLOWHTHZMBO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUYRZDURTZEOU-FKBYEOEOSA-N", "SMILES:O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](NC(=O)Nc5ccccc5F)[C@H]3O4)ccnc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRGTUXAUFCCJFH-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccc(-c2nc(-c3cccc(O)c3)c(-c3ccnc(Br)c3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBNARITVGVQPJ-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cc(F)c(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCDIRDLSBIPQBX-IQGLISFBSA-N", "SMILES:Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc([C@]23COC[C@H]2C3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PORCJONFOOECRV-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRUJDQAGOKDQBH-UHFFFAOYSA-N", "SMILES:CCN1CCN(CCNc2nccc(-c3c(-c4cccc(O)c4)nc4occn34)n2)S1(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSUDQKPYMOISR-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCNc2nccc(-c3c(-c4cccc(F)c4)nc4occn34)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXLWIZPUQVXMTH-CYJYRVEMSA-N", "SMILES:CC(C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCNC(=O)CC[C@@H](C(N)O)NC(=O)[C@H](C)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFTVREVWQLYICD-WAIKUNEKSA-N", "SMILES:C[C@@H](OCc1ccn(Cc2ccc(F)cc2)n1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXEMGEIBSJLZLY-WAIKUNEKSA-N", "SMILES:C[C@@H](OCc1ccn(Cc2ccc(Cl)cc2)n1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBKXKZWZHRTYSX-OAGGEKHMSA-N", "SMILES:N#Cc1cc(F)cc(Oc2ccc3c4c2[C@@H](F)[C@@H](F)[C@]4(O)C(F)(F)C3(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBIOBIQMACZVQD-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(Oc2ccc3c4c2C(F)CC4(O)C(F)(F)S3(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQWNBSGKGLBGG-JUDQEUQKSA-N", "SMILES:CS(=O)(=O)c1ccc([C@H]2CCCc3cc(F)cc(C#N)c32)c2c1[C@H](O)[C@H](F)[C@@H]2F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYKIXMGLGQDQK-UHFFFAOYSA-N", "SMILES:N#Cc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)(F)F)c3[nH]ncc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPDDDPLWWKZHJ-UHFFFAOYSA-N", "SMILES:CP(C)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2c1C(O)C(F)(F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVETUEMAJJBQMN-BBBLOLIVSA-N", "SMILES:O[C@H]1c2c(C(F)(F)F)ncc(OC3CC(F)(F)C3)c2[C@@H](F)[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQAHEJFAQOZZKQ-LLVKDONJSA-N", "SMILES:O[C@@H]1CCc2c(Oc3cc(F)cc(F)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPWMMFXJAEPAX-UHFFFAOYSA-N", "SMILES:OC1c2c(C(F)(F)F)cn(-c3cncc(F)c3)c2CC(F)C1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQLKFQNQUHDYHU-IUODEOHRSA-N", "SMILES:CS(=O)(=O)c1sc(N2CCCc3ccccc32)c2c1[C@H](O)[C@H](F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIMYASAFTCKQNA-AUUYWEPGSA-N", "SMILES:CS(=O)(=O)c1ccc(N2CCCc3ccccc32)c2c1[C@H](O)[C@H](F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IARZVPABSOJTSY-BJOHPYRUSA-N", "SMILES:Fc1c(C(F)(F)F)ncc2c1SC[C@H](F)[C@@]21CN2C=C(C(F)(F)F)C(OC(F)F)=CC2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINKFHQIIQZRFH-CGMALJKESA-N", "SMILES:FC(F)OC1=CC2=N[C@]3(C[C@H]4C[C@H]4c4c3ccnc4Cl)CN2C=C1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LONXCUOJVJLTIP-UHFFFAOYSA-N", "SMILES:O=S1(=O)N=C(Nc2ccccc2N2CCCC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXTPHHABAUPJKF-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3ccccc31)CN(Cc1ccc(C(=O)NO)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVBMRGHVUNAII-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3ccccc31)CN(C(=O)NCc1ccc(C(=O)NO)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHVWZXYVCQRRK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CN2CCc3c(c4ccccc4n3Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXVRKGXRZQNFPI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)N2CCc3c(c4ccccc4n3Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIFAHOTUJUAOZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(COC(=O)N2CCc3c(c4ccccc4n3Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZVXBNETZUEFO-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1ccc(Cn2c3c(c4ccccc42)CN(C(=O)NCc2ccc(C(=O)NO)cc2)CC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBLPZUIEJVLPOV-UHFFFAOYSA-N", "SMILES:Cn1c2c(c3ccccc31)CN(C(=O)OCc1ccc(C(=O)NO)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEVVAQSQBIORGB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CC(=O)N2CCc3c(c4ccccc4n3Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQWJFSWUKSDTBA-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(C(=O)N2CCc3c(c4ccccc4n3Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHTIZCNQXPOGJW-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)N2CCc3c(c4ccccc4n3Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFBNMKMCFJRUMG-UHFFFAOYSA-N", "SMILES:O=C(CS)Nc1ccc(CN2CCc3c(c4ccccc4n3Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOSFDUHMEZMOHW-UHFFFAOYSA-N", "SMILES:O=C(CS)Nc1ccc(CNC(=O)N2CCc3c(c4ccccc4n3Cc3ccccc3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUJFHBDFMBGDST-UHFFFAOYSA-N", "SMILES:O=C(CS)NCCCCCNC(=O)N1CCc2c(c3ccccc3n2Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAJCDLNPPOOVPE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(CN2CCc3c(c4ccccc4n3Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPSCHFDDWJVDZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(CNC(=O)N2CCc3c(c4ccccc4n3Cc3ccccc3)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKXRBRPMTQSNTJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYXVQDZRELJUBX-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWIWOWGXKHFTHM-UHFFFAOYSA-N", "SMILES:CCCN1CCC(Nc2nc(C#N)nc3cc(OCCCN4CCCC4)c(OC)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBUONUPUCSDIFQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C4CC4)CC3)nc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPYDHWGOMXNQOW-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGAGSHBMXYRDJN-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCFGRRIIUNHIZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCN(C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEJODHSPAWSHOK-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMFFNYIUQTNKW-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCCAQKTZHJSEKP-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDFCTSUFEJCENU-UHFFFAOYSA-N", "SMILES:CCCN1CCC(Nc2cc(C#N)nc3cc(OCCCN4CCCC4)c(OC)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABOYMKZJGPBYCR-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUCHZOBUKOKFRK-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C4CC4)CC3)cc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTRLPVFYRKCJIU-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C4CCCCC4)CC3)cc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKILGCNXZPMRW-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(Cc4ccccc4)CC3)cc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAGKOOCPARJINO-UHFFFAOYSA-N", "SMILES:COc1cc2c(NCC3CCN(C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWBVFJAFNIXJGO-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)=O)CC3)cc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCOMPIJYIFQUPV-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQCJXBYWJLJVAQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCNCC3)cc(C#N)nc2cc1OCCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFMYKRWFDVCYRR-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQLBXYOKZOJWHL-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZCVYKLALYEZAY-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NC3CCN(C(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5028132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVNAAXWSEDLITQ-UHFFFAOYSA-N", "SMILES:Nc1cccc2c(S(=O)(=O)NCc3ccccc3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWNVJXDHBHDUMQ-PXDATVDWSA-N", "SMILES:COc1cc(F)c(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)([C@H](O)CF)C3)cn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTYFIBWKRAUTDN-UIOOFZCWSA-N", "SMILES:Cc1ccc(OCCN2CCOCC2)cc1-c1ccnc(NC(=O)c2nc3n(n2)[C@H](c2ccccc2)C[C@@H]3F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCQTOFPMPEPDT-SVBPBHIXSA-N", "SMILES:Cc1ccc(OCCC2CCOCC2)cc1-c1ccnc(NC(=O)c2nc3n(n2)[C@H](c2ccccc2)C[C@@H]3F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXHPVBAEKUPBTH-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(-c3cn[nH]c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWXQTFQHLVRNLB-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(-n3cccn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UASFFCSYYMYMJG-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(-n3cc(F)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEWWOZDHPJLOJK-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(-n3cc(C(F)(F)F)cn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZYFCQIWZOWSBZ-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(-n3cnc(C(F)(F)F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIOZMTOUTXOKKF-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(C(N)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSRZPKWNNOOFLQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYGYSZQABOTNFC-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(C(=O)NC3CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFNRDURENFGDQY-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(C(=O)NCC(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMRANLOUHWBECX-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(C(=O)N3CCC(F)(F)C3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPJSCNUYWIYCW-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(C(=O)NO)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFIRUVFMIWEUPK-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXRQDKCTUKXQTE-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(-c3cccc(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKJULAYHGQSZLK-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1CNc1ccc2[nH]nc(C#N)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPCULBKXBRYLN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3OC(C)C)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWSMVBXAAYYKN-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3OC3CCOC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDMHXTUPOVNHMX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3OC3CCOCC3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTIPFAKBJNJTSR-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3OCCO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKYAMHOBUXUVIB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3OC(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZVSGAKCLFYDSQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3OCCF)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PURCTPVNRDSZSF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3OCC(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKCYPSIGURJFTP-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3OCC(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRWRBKDASQKMRK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3P(C)(C)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJQRVGQFRQTMFA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3S(C)(=O)=O)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPZIMBOLIRSMT-UHFFFAOYSA-N", "SMILES:Fc1ccc(OCC(F)F)c(CNc2ccc3[nH]nc(-c4cnoc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXAGMXVWDWRRX-UHFFFAOYSA-N", "SMILES:N#Cc1n[nH]c2ccc(NCc3cc(F)ccc3OCC(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCAUJNXCRBIGQ-UHFFFAOYSA-N", "SMILES:Fc1ccc(OCC(F)F)c(CNc2ccc3[nH]nc(-n4ccnn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSRCBHDMPNBSTN-UHFFFAOYSA-N", "SMILES:Fc1ccc(OCC(F)F)c(CNc2ccc3[nH]nc(-n4cncn4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVQWVRSXVXMJSE-NSHDSACASA-N", "SMILES:C[C@H](Nc1ccc2[nH]nc(-n3cncn3)c2c1)c1cc(F)ccc1OCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVQWVRSXVXMJSE-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1ccc2[nH]nc(-n3cncn3)c2c1)c1cc(F)ccc1OCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJXKTVLFILQDJY-UHFFFAOYSA-N", "SMILES:Cc1c(NS(=O)(=O)c2cc(F)ccc2F)cccc1-c1nc2cc(-c3cnc(N)nc3)cnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKNUQGABMRHNR-MGPQQGTHSA-N", "SMILES:O=c1c2ccccc2cnn1CO[C@@H]1C=CO[C@H](CO)[C@@H]1O"]}
{"name": "Galectin-9C", "xref": ["CHEMBL.TARGET:CHEMBL6066211"], "id": "UniProtKB:Q6DKI2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBIUETVEYUHROT-QWFCFKBJSA-N", "SMILES:O=c1c2ccccc2c(-c2ccccc2)nn1CO[C@@H]1C=CO[C@H](CO)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTGSWKQPTVXYQQ-QWFCFKBJSA-N", "SMILES:O=c1c2ccccc2c(-c2ccc(F)cc2)nn1CO[C@@H]1C=CO[C@H](CO)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKAEXFDODVFNG-SFHLNBCPSA-N", "SMILES:Cc1ccc(-c2nn(CO[C@@H]3C=CO[C@H](CO)[C@@H]3O)c(=O)c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEOTJXSGSPVMA-QWFCFKBJSA-N", "SMILES:O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1CO[C@@H]1C=CO[C@H](CO)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQDBLCODCFTAJF-QWFCFKBJSA-N", "SMILES:O=c1c2ccccc2c(-c2ccc(Cl)c(Cl)c2)nn1CO[C@@H]1C=CO[C@H](CO)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMCPEIVYVRUQEU-QWFCFKBJSA-N", "SMILES:O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1CO[C@@H]1C=CO[C@H](CO)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUSVPGKZVBTOQO-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2cn3cc(Oc4ncc(Cl)cc4OCC(F)F)ccc3n2)CCS(=O)(=O)C(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFSIWCZLSQBOBU-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2cn3cc(Oc4ncc(F)cc4OCC(F)(F)F)ccc3n2)CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBOYGILYHYBMGA-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC2(C)CC(F)(F)C2)nc2ccc(Oc3ncc(F)cc3OCC(F)F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTZFGZFOLLDSKP-UHFFFAOYSA-N", "SMILES:CCc1cnc(Oc2ccc3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)c(C)n3c2)c(OCC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZHYRXNZTLRCSU-UHFFFAOYSA-N", "SMILES:CCOc1cc(Cl)cnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(C)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZPRSJMTGTULDQ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NC2(CC#N)CN(C(=O)C(F)(F)F)C2)nc2ccc(Oc3ncc(F)cc3OCC(F)F)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEEVZOWEVHDEIF-INIZCTEOSA-N", "SMILES:COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1C[C@H]1COC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLGYDCNWRDGBRF-AWEZNQCLSA-N", "SMILES:COc1nc(NC(=O)Cc2ccc(Cl)cc2)ccc1C[C@H]1COC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVFATYIYLQFIV-INIZCTEOSA-N", "SMILES:COc1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1C[C@H]1COC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFFWPBBLDFXLFJ-HNNXBMFYSA-N", "SMILES:COc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)ccc1C[C@H]1COC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVSSEJUGEJTADP-INIZCTEOSA-N", "SMILES:COc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1C[C@H]1COC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQUBGBYWNPIFV-UHFFFAOYSA-N", "SMILES:O=c1oc2cc(O)ccc2cc1-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL71271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROGXIFKSIOPJFE-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2cc1-c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5594865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHUGSXPBGHITBT-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2cc(-c3cccc(Br)c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1559283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWVIHBPMUGBFLE-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL71407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQERDEBQCCIXLI-UHFFFAOYSA-N", "SMILES:O=c1oc2ccccc2cc1-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWVSYSXUDJDCDL-NTCAYCPXSA-N", "SMILES:CN(C)c1ccc(/C=C/C(=O)c2cccc(-n3cc(CN4C(=O)C(=O)c5ccccc54)nn3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3746308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOHQBMBMUOZAMA-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEPVEAOOECQUND-MWVDVNALSA-N", "SMILES:COCC[C@H](c1nccc(C)c1F)N1C[C@@H](C)N(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(-c3ccc(Cl)c(OC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPXJUOSYBGYBMC-SUHSUELASA-N", "SMILES:COCC[C@H](c1nccc(C)c1F)N1C[C@@H](C)N(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(-c3ccc(C)c(OC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKHVVPJIJPXGAS-MWVDVNALSA-N", "SMILES:COCC[C@H](c1nccc(C)c1F)N1C[C@@H](C)N(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(-c3ccc(F)c(OC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNCUANJFJRDLW-HCLMJZEPSA-N", "SMILES:COCC[C@H](c1nccc(C)c1F)N1C[C@@H](C)N(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(-c3cc(OC)cc(OC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWUMMPVIMBBICX-XTBZXYEFSA-N", "SMILES:COCC[C@H](c1nccc(C)c1F)N1C[C@@H](C)N(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(-c3cccc(OC)n3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXDWBMABNIBDTQ-XTBZXYEFSA-N", "SMILES:COCC[C@H](c1nccc(C)c1F)N1C[C@@H](C)N(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(C#CC3CC3)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDRITXBRDVUIEC-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1-n1cnnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJWWMHIPDGVAFU-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=S)NCCN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSRNTEIOQWRVQP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C)c(Nc2ncnc3c2cnn3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHJVZNFNABCPE-UHFFFAOYSA-N", "SMILES:Cn1ncc2c(Nc3ccccc3Cl)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQZDNYKBELOOIO-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(O)n2ncc(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL473816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBFDNTZQRMCCCF-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccccc2C)n2ncnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNQJHZBLFZPCN-UHFFFAOYSA-N", "SMILES:C#CCNc1c2c(nc3ncnn13)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1874417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVIZORPSBMMNBL-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1342478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMMKDKDKSJJJSN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2cccc(C)c2C)n2ncnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1396761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZINYMJNQFUBPAY-UHFFFAOYSA-N", "SMILES:Cc1cc(NCc2ccccc2Cl)n2cnnc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMNORZQANASQP-OAQYLSRUSA-N", "SMILES:CCn1ccc(-c2cc(-c3cnn(C)c3)cc([C@@H](C)NC(=O)c3cc(OCCN(C)C)ccc3C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVYUHFDLZLNDJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(N2CCN(C)CC2)cc1C(=O)NC1(c2cc(-c3cnn(C)c3)nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPYZPSMKQJQUQT-NFQMXDRXSA-N", "SMILES:Cc1ccc(NC(=O)[C@H]2CCCCN2)cc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)cc(-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDITYMVCGVUNCR-GOSISDBHSA-N", "SMILES:Cc1cc(C(=O)NCc2cscn2)ccc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)cc(-c2ccns2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCLJFPZZZZUZMS-LJQANCHMSA-N", "SMILES:Cc1cc(CNCc2cscn2)ccc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)cc(-c2ccns2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZCBKOPSFBXBTF-HXUWFJFHSA-N", "SMILES:Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)cc(-c2cc(Cl)cnc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUXPFTXPENNJBF-OAQYLSRUSA-N", "SMILES:Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)cc(-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APZNFECZEFZBQV-LJQANCHMSA-N", "SMILES:Cc1ccc(N2CCNCC2)cc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)cc(-c2cc(Cl)cnc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGWJUPVGDOGNU-PYMCNQPYSA-N", "SMILES:Cc1nc(N[C@H]2CCCN(CC(C)O)C2)nnc1-c1ccc2c(c1O)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGNCWYNUXARQHW-CYBMUJFWSA-N", "SMILES:Cc1nc(N[C@@H]2CCCN(CCO)C2)nnc1-c1ccc2c(c1O)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USMKZKWZQUQTKC-CQSZACIVSA-N", "SMILES:Cc1nc(N[C@@H]2CCCN(CCCO)C2)nnc1-c1ccc2c(c1O)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRPPVKWOIXXTBP-CQSZACIVSA-N", "SMILES:Cc1nc(N[C@@H]2CCCN(CCCC(=O)O)C2)nnc1-c1ccc2c(c1O)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONXZKHPVBPMWLS-HNNXBMFYSA-N", "SMILES:Cc1nc(N[C@H]2CCCN(CCc3ncco3)C2)nnc1-c1ccc2c(c1O)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCUFTRTVTVQRGX-SFHVURJKSA-N", "SMILES:Cc1nc(N[C@H]2CCCN(CCCC(=O)N3CCCC3)C2)nnc1-c1ccc2c(c1O)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAGUFPAVOOEUOD-HAQNSBGRSA-N", "SMILES:COc1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRWTZWUJASIORK-HAQNSBGRSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCKLAHADLOKOLH-JOCQHMNTSA-N", "SMILES:CP(C)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWDGCSZIOWIQOM-HAQNSBGRSA-N", "SMILES:CS(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTWWRAXKMZULAP-JOCQHMNTSA-N", "SMILES:N[C@H]1CC[C@H](Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C3CC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTJMYSNGUDZWQE-HDJSIYSDSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IERVNSBFWIBVKI-WKILWMFISA-N", "SMILES:N[C@H]1CC[C@H](Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYNILFRIBHUUIC-LEHOHUSHSA-N", "SMILES:N[C@H]1CC[C@H](Nc2ncc(Cl)c(Nc3ccccc3[S+]([O-])c3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWSFWOLWFZFBAQ-HDJSIYSDSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZTXJASFULJSI-HDJSIYSDSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNTUBDONIDTFGB-SHTZXODSSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1ccnc(N[C@H]2CC[C@H](N)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQJZTXZUMDQJFW-WKILWMFISA-N", "SMILES:Cc1cnc(N[C@H]2CC[C@H](N)CC2)nc1Nc1ccccc1S(=O)(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZJVZHGPGBXVRC-SHTZXODSSA-N", "SMILES:COc1cnc(N[C@H]2CC[C@H](N)CC2)nc1Nc1ccccc1S(=O)(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REIGIIMXLHRURG-QAQDUYKDSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLUDOXBYZJWRDG-OKILXGFUSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@H]2CC[C@@H](N)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVAGZHXCVLIMPV-KGLIPLIRSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@@H]2CCC[C@H](N)C2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXAIHFVIKDJIAK-HDJSIYSDSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@H]2CC[C@H](O)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHHVKIBLSJIVFI-WKILWMFISA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@H]2CC[C@H](N(C)C)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLKAOAZHFERJC-QAQDUYKDSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@H]2CC[C@H](N3CCC3)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGOWCARCPVHVOT-WGSAOQKQSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@H]2CC[C@H](N3CCCCC3)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDBEZRARXRGGK-WKILWMFISA-N", "SMILES:CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEVYIGIAPVJKTQ-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(C2CCNCC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXWWUYSUGISJMW-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(C2CCN(S(C)(=O)=O)CC2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGAVNJSRYLPSDA-MXVIHJGJSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHSSFNRSSBRKFB-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NC4CC4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFWBEKWPDFITTI-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cnc2sc3c(NC4CC4)ncnc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXMIOJUDTQWVBZ-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NC4CC4)nncc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVMQBJVYZWZOMY-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cnc2sc3c(NC4CC(c5ccncc5)C4)ncnc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHYPVCIFKRIEU-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NC4CCC4)nncc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMXLBQVIZVXLAS-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NC4CC(F)(F)C4)nncc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JADMTCROWXWLPT-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NCc4ccc(C(C)(C)O)cc4)ncnc3c2c(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHZKSQSYNUGQE-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(N4CCCC4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGWUIDXOZOZAIR-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(N4CCC4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJXPVORKSQSFA-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NC4CC4(C)C)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSKJUPCGARNCDW-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NC4CC(c5ccncc5)C4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBXQMMZNBCMXJF-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NC4CC(F)(F)C4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSFFQIWNSOBSK-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(N4CC(C#N)C4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLXCPKWLAYTGGG-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NC4(C)CC4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKJOYHHBAATPLB-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(N4CCCC4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUUYXGSZHJMWIS-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(NCc4ccc(C(C)(C)O)cc4)ncnc3c2c(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUTWIISHNXEATO-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(NCC4CCC4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPKGELBHCFTNQR-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(N(C)C)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHLPLFPHKEIAK-UHFFFAOYSA-N", "SMILES:Cc1ncc(CNc2ncnc3c2oc2nc(C)c(Cl)c(C)c23)cn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCAKAKFVKIASLG-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(NC4CCC4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILZCLTJHJLLXFF-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(NCC(C)C)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWLNAKXGJUMKPT-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(NC4CCCC4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXVWWWRMBHSEC-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(NC4CC(F)(F)C4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRAVXTBKCBLNKS-UHFFFAOYSA-N", "SMILES:COCCCNc1ncnc2c1oc1nc(C)c(Cl)c(C)c12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTGUHJNHPASJKR-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(N4CCC4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTBYBTOSEHKQMT-UHFFFAOYSA-N", "SMILES:CCCNc1ncnc2c1oc1nc(C)c(Cl)c(C)c12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXKOPZYLYUFNN-UHFFFAOYSA-N", "SMILES:CCC1CC1Nc1ncnc2c1oc1nc(C)c(Cl)c(C)c12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYRZNJHKGGCAB-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(NC4CC4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGVHRWWOBKVVEY-UHFFFAOYSA-N", "SMILES:Cc1nc2oc3c(NC4CC4(C)C)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKHPXNDKXISIRT-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cnc2sc3c(N4CCCC4)ncnc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGAQYUDIXQSMRC-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cnc2sc3c(NC4(C)CC4)ncnc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJKLLKMJXWIEQY-UHFFFAOYSA-N", "SMILES:Cc1ncc(CNc2ncnc3c2sc2ncc(Cl)c(C)c23)cn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZZSIYURKZGYFK-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cnc2sc3c(NCc4ccncc4)ncnc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOYCLLOHYWIPFT-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cnc2sc3c(N4CC(C#N)C4)ncnc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDXJNCMEYUFFBP-UHFFFAOYSA-N", "SMILES:Cc1c(Cl)cnc2sc3c(N4CC5(COC5)C4)ncnc3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLGZQNHNCVBBHW-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nncc3c2sc2nc(C)c(Cl)c(C)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIKPEROTUFTGDS-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(N4CCCCC4)nncc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQESAJDAUGCBPO-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(N4CC5CC5C4)nncc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDOMPPZSQONJQD-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(N4CCCC4)nncc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKUOSIUZGCMGMZ-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NCc4ccc(OC(F)F)cc4)nncc3c2c(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLDAPWGRKNVQD-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(NCC4CCC4)nncc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPMBAHMYJGOLRH-UHFFFAOYSA-N", "SMILES:COCCCNc1nncc2c1sc1nc(C)c(Cl)c(C)c12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJCYIAVSDWOZNQ-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(N4CCC4)nncc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIEJRYOISKHRCI-UHFFFAOYSA-N", "SMILES:Cc1ncc(CNc2ncnc3c2sc2nc(C)c(Cl)c(C)c23)cn1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZBZKOJAYPSPSF-UHFFFAOYSA-N", "SMILES:Cc1nc2sc3c(N4CC5(COC5)C4)ncnc3c2c(C)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULEZUUBAYMSRHD-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2ncnc3c2oc2nc(C)c(Cl)c(C)c23)cc1F.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPUFYAMLJRACZ-UHFFFAOYSA-N", "SMILES:O=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1cccc(O)c1)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUNBQYRGLAKRLX-NDENLUEZSA-N", "SMILES:COC(=O)C1=C(C)N(CC2CCCO2)C(=O)/C1=C\\c1ccc(OCC(=O)NC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IODSEAMGMBLNMQ-JWGURIENSA-N", "SMILES:C#CCOc1ccc(/C=C2\\SC(Nc3ccc(OCC)cc3)=C(C(=O)OCC)C2=O)cc1OC"]}
{"name": "Telomerase Cajal body protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066243"], "id": "UniProtKB:Q9BUR4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSPYWIVZJCFYJY-QHCPKHFHSA-N", "SMILES:NC(=O)c1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCSBCMNEHBFENF-DEOSSOPVSA-N", "SMILES:CNC(=O)c1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQTIPAXTJOCVIQ-VWLOTQADSA-N", "SMILES:CCC(=O)c1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMCJUVIHHNEIEI-SANMLTNESA-N", "SMILES:CC(C)C(=O)c1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNGOUDHAAQRGCO-NDEPHWFRSA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C(=O)c6cccnc6)cc5F)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZMPQAWNDDTAJ-NDEPHWFRSA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C(=O)C6CCOCC6)cc5F)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POAFESMZYSNGSK-VWLOTQADSA-N", "SMILES:CC(=O)c1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWWOMMJSEIJBHL-SANMLTNESA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C(=O)C6CC6)cc5F)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFKAXUUDIGSMBK-SANMLTNESA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C6COC6)cc5F)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POQCKGOGRYTXQH-SANMLTNESA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C6COC6)cc5Cl)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMWQZRNCCVNXNK-MHZLTWQESA-N", "SMILES:COc1cc(C2COC2)ccc1COc1cccc(C2CCN(Cc3nc4ccc(C(=O)O)cc4n3C[C@@H]3CCO3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXPHWBKTTHIYBV-MHZLTWQESA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C6COC6)cc5OCC(F)(F)F)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYCFBUVFHRLNPL-SANMLTNESA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C6COC6)cc5C(F)F)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJMXWFNFXAHCN-SANMLTNESA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C6COC6)cn5)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTZOXEHPPMFSAT-SANMLTNESA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCC5CCN(C6COC6)CC5)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWNXYIAOFBNNIK-SANMLTNESA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C6(O)COC6)cc5)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AILCKNKUFNGVDY-SANMLTNESA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C6(F)COC6)cc5)n4)CC3)n(C[C@@H]3CCO3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYGJLQTIBCSBH-UHFFFAOYSA-N", "SMILES:N#CCC1(n2c(CC3CCC(c4cccc(OCc5ccc(C6COC6)cc5F)n4)CC3)nc3ccc(C(=O)O)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHBXWSQKWDAXTQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C6COC6)cc5F)n4)CC3)n(CC3(F)CCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2004669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCOUNTXDLWPQS-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=N)c(C(N)=S)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTSWUCZRGFHIOA-UHFFFAOYSA-N", "SMILES:N=c1oc2cc(Br)ccc2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMWETSFXGNNJP-UHFFFAOYSA-N", "SMILES:N=c1oc2cc(F)cc(F)c2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIQQMYCQYUPPQ-UHFFFAOYSA-N", "SMILES:N=c1oc2ccccc2cc1C(N)=S"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1494868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLPSUFKUPWGVHY-UHFFFAOYSA-N", "SMILES:N=c1oc2ccc3ccccc3c2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXTBIGNEAVVRSE-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(N)=S)c(=N)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWVLGGYHDNSDJF-UHFFFAOYSA-N", "SMILES:N=c1oc2cc(O)ccc2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUBULISVBJGHRA-UHFFFAOYSA-N", "SMILES:N=c1oc2ccc(O)cc2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRSQKRGIDXRXTC-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=N)c(C(N)=S)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXLBCQFYJZUKJE-UHFFFAOYSA-N", "SMILES:COc1cc(Br)cc2cc(C(N)=S)c(=N)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISUPOFCPYXKLMY-UHFFFAOYSA-N", "SMILES:N=c1oc2c(Br)cc(Br)cc2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXPLHIJINBWMOR-UHFFFAOYSA-N", "SMILES:N=c1oc2c(F)cc(F)cc2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRIDFOUMPBYLMO-UHFFFAOYSA-N", "SMILES:N=c1oc2cc(F)ccc2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZXYUFPFZUNAL-UHFFFAOYSA-N", "SMILES:N=c1oc2cccc(F)c2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZRYUUJMHAQPF-UHFFFAOYSA-N", "SMILES:N=c1oc2c(F)ccc(F)c2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXHHZHKQGQDZLT-UHFFFAOYSA-N", "SMILES:N=c1oc2cc(F)c(F)cc2cc1C(N)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIQFLRXZSGTFAG-UHFFFAOYSA-N", "SMILES:NC(=S)C1=Cc2cc(F)cc(F)c2OC1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJFINWYUXIBPNF-UHFFFAOYSA-N", "SMILES:N=c1oc2c(F)cc(F)cc2cc1C(=S)NC=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMOBQHPEAJZBCW-CYBMUJFWSA-N", "SMILES:Cc1ncc(C[n+]2c([C@H](O)CCCC(=O)O)sc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSZZWKMTTAVRDL-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc(-c2noc3c2C(=O)c2sccc2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYEHTAOEESBHDK-NSHDSACASA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cc[nH]n3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELKOUQURLSCSG-NSHDSACASA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3ncnn3C)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJKCDSBUIENGX-ZDUSSCGKSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3ccncc3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYERTUUTZOSSHR-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3ccncn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFNLAPBKYSNXEO-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3ncccn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLDBOYOBUDMNGU-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3ccn(C)n3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNIJFLBCLNXSMR-NSHDSACASA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cn[nH]c3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKRVMPIJDNAHEB-ZDUSSCGKSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3ccccn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAEKZSUHSJYJNR-LBPRGKRZSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cnccn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNSJBCCWPDMZHL-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2ccc3c(c2)-c2ccc(O[C@@H](C)C(N)=O)cc2OC3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGWHVLJZKCUFLJ-NSHDSACASA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cc(C(F)(F)F)ncn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLDUJFCMKQLWKX-LBPRGKRZSA-N", "SMILES:COc1cc(-c2ccc3c(c2)-c2ccc(O[C@@H](C)C(N)=O)cc2OC3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDRXGWFQOHZYEZ-NSHDSACASA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cc(N)ncn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTUMKVIKDRJTGG-LBPRGKRZSA-N", "SMILES:CNc1cc(-c2ccc3c(c2)-c2ccc(O[C@@H](C)C(N)=O)cc2OC3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAAQWCBZFVQJNN-ZDUSSCGKSA-N", "SMILES:CCNc1cc(-c2ccc3c(c2)-c2ccc(O[C@@H](C)C(N)=O)cc2OC3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIEXHNDWRGDAKO-AWEZNQCLSA-N", "SMILES:CCCNc1cc(-c2ccc3c(c2)-c2ccc(O[C@@H](C)C(N)=O)cc2OC3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYINWNBNQXRZTB-ZDUSSCGKSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cc(NC4CC4)ncn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGHQJPTUXJLCEG-AWEZNQCLSA-N", "SMILES:CC(C)Nc1cc(-c2ccc3c(c2)-c2ccc(O[C@@H](C)C(N)=O)cc2OC3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHHCDDYMHADJC-AWEZNQCLSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cc(NC(C)(C)C)ncn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIRXIIBCGUXKB-HNNXBMFYSA-N", "SMILES:CC(C)CNc1cc(-c2ccc3c(c2)-c2ccc(O[C@@H](C)C(N)=O)cc2OC3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRLJPBSQJHRBPS-ZDUSSCGKSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cc(N(C)C)ncn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFGLXTQJFYZYDM-HNNXBMFYSA-N", "SMILES:CCN(CC)c1cc(-c2ccc3c(c2)-c2ccc(O[C@@H](C)C(N)=O)cc2OC3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSFJTNZVJVXDLV-AWEZNQCLSA-N", "SMILES:CCN(C)c1cc(-c2ccc3c(c2)-c2ccc(O[C@@H](C)C(N)=O)cc2OC3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUZCUEOKMZXYIX-INIZCTEOSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cc(N4CCCCC4)ncn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNWVNQDSVVHDDQ-HNNXBMFYSA-N", "SMILES:C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cc(N4CCOCC4)ncn3)cc1-2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVBWQKMBSRNPCV-AWEZNQCLSA-N", "SMILES:COCCNc1cc(-c2ccc3c(c2)-c2ccc(O[C@@H](C)C(N)=O)cc2OC3)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUPNPAYMNKSYKI-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc2c(c1)oc(=O)c1ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTNPKPFJZRMAJE-GVYBTMFRSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)C(C)CC)C3=CC(=O)OC3)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813867", "category": ["biolink:ChemicalEntity"], "name": "AJUGANIPPONIN A", "xref": ["InChIKey:SJNMHXILDVKBPL-BEEMTZEWSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@H](OC(C)=O)CC[C@]21CO1)C1=CC(=O)OC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5593788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJHYCABROUGORR-ZYWPFBEMSA-N", "SMILES:CCC(C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813871", "category": ["biolink:ChemicalEntity"], "name": "AJUGANIPPONIN B", "xref": ["InChIKey:CHIBTOSDROCERR-OEGSVNHNSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813872", "category": ["biolink:ChemicalEntity"], "name": "AJUGAMARIN A2", "xref": ["InChIKey:IAAHUGSOWYSQSN-BEEMTZEWSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2269697", "category": ["biolink:ChemicalEntity"], "name": "DIHYDROAJUGAMARIN", "xref": ["InChIKey:BRIXIZXUQQCUIP-DSFBDFPZSA-N", "SMILES:CCC(C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813866", "category": ["biolink:ChemicalEntity"], "name": "AJUGAMARIN A1", "xref": ["InChIKey:HZPBAEMQRBYDPW-CJARLIFWSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5590025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZEIVDOHQFOECH-VZWFDLMPSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@@]2(COC(C)=O)[C@H]1[C@@](C)(C[C@H](OC(C)=O)C1=CC(=O)OC1)[C@H](C)C[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL522544", "category": ["biolink:ChemicalEntity"], "name": "AJUGAPANTIN A", "xref": ["InChIKey:KBIJVGBQDPMKKO-BAOLRMIKSA-N", "SMILES:CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@H]1[C@H](OC(C)=O)CC[C@]21CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5592507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUIUGDMCTNZRGT-SOOYPWFXSA-N", "SMILES:CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@H]1CCC[C@]21CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL494606", "category": ["biolink:ChemicalEntity"], "name": "AJUGARIN I", "xref": ["InChIKey:RNYBNBANBCQZON-PGQNDPHJSA-N", "SMILES:CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5592308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNNFPBMLPYVEEM-JFPJTMRHSA-N", "SMILES:CCC(C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813870", "category": ["biolink:ChemicalEntity"], "name": "AJUGALIDE C", "xref": ["InChIKey:DSTKFVXVQRVYIH-VQSMGOMNSA-N", "SMILES:CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H]1CCC[C@]21CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5592911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHKIRFZNTVVEF-ZTPJMXGRSA-N", "SMILES:CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@H]1[C@H](O)CC[C@]21CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5593660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDGXJVAQUZTADF-YUMWEXGASA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H]1CCC[C@]21CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5592341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWKWAKZFLQUIH-WVMXSOEESA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@@](C)(C[C@H](O)C1=CC(=O)OC1)[C@H](C)C[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STGFGTTVVRROIA-VZWFDLMPSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@H](O)CC[C@]21CO1)C1=CC(=O)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPIBUIPAAPHGEN-DONKYKGPSA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@@](C)(CCC1=CC(=O)OC1)[C@H](C)C[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813868", "category": ["biolink:ChemicalEntity"], "name": "AJUGACUMBIN A", "xref": ["InChIKey:TWZAPYCYRPQAOD-PIJHPVSDSA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813864", "category": ["biolink:ChemicalEntity"], "name": "AJUGATAKASIN A", "xref": ["InChIKey:BGAZAIQJEALJJF-NFWHYXGOSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@H](OC(=O)/C(C)=C/C)CC[C@]21CO1)C1=CC(=O)OC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813861", "category": ["biolink:ChemicalEntity"], "name": "AJUGACUMBIN A CHLOROHYDRIN", "xref": ["InChIKey:PUHCBNQOZVVESC-PIJHPVSDSA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5594180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHWINGHVOWLJAM-OEGSVNHNSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]2(O)CCl)C1=CC(=O)OC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1813855", "category": ["biolink:ChemicalEntity"], "name": "AJUGAMARIN A1 CHLOROHYDRIN", "xref": ["InChIKey:CWWDVANTGWQWKM-CJARLIFWSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H]1CC[C@](O)(CCl)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4639261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXGVWMPOIOESR-DONKYKGPSA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@@]12[C@H](CCC[C@]1(O)CCl)[C@@](C)(CCC1=CC(=O)OC1)[C@H](C)C[C@@H]2O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5594352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOGDYFFKKJPIIJ-WVMXSOEESA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@@]12[C@H](CCC[C@]1(O)CCl)[C@@](C)(C[C@H](O)C1=CC(=O)OC1)[C@H](C)C[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMPRXRGZXNSLR-WLOBYMLMSA-N", "SMILES:COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@]21C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5592334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOXDNFFZFRJNK-AFIPGJOLSA-N", "SMILES:COC(=O)[C@@H]1CC[C@@H](O)[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMSXGBARCOLED-TUEBXCRUSA-N", "SMILES:CCC(C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](O)[C@]2(C)[C@@H]1CCC[C@H]2C(=O)OC)C1=CC(=O)OC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5593021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNQDVHFJNBBCKK-KWQQYHHZSA-N", "SMILES:COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(C[C@H](OC(=O)C(C)C)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4637038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFQBCSWDXFXRCM-QDFYJPOHSA-N", "SMILES:C/C=C(\\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](O)[C@]2(C)[C@@H]1CCC[C@H]2C(=O)OC)C1=CC(=O)OC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5592437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUEWZPGKNLYDSV-WLOBYMLMSA-N", "SMILES:COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(C[C@@H]3OC(=O)C=C3CO)[C@H](C)C[C@H](O)[C@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBVQDBZRXLOQRK-OLXSTVHYSA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@]12C(=O)CCC[C@@H]1[C@@](C)(CCC1=CC(=O)OC1)[C@H](C)C[C@@H]2OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXUYHISNIFXHO-MLLMZSQESA-N", "SMILES:C[C@@H]1C[C@H](O)[C@@]2(COC(=O)c3ccc(C(F)(F)F)cc3)C(=O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGARFFTQGBODK-MLLMZSQESA-N", "SMILES:C[C@@H]1C[C@H](O)[C@@]2(COC(=O)c3ccc(F)cc3)C(=O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJDJPVFKZDVFR-VUPXMHGHSA-N", "SMILES:C[C@@H]1C[C@H](O)[C@@]2(COC(=O)/C=C/c3ccc(C(F)(F)F)cc3)C(=O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZNTUEYVPAPVEC-VUPXMHGHSA-N", "SMILES:C[C@@H]1C[C@H](O)[C@@]2(COC(=O)/C=C/c3ccc(F)cc3)C(=O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZGYWROAVGZDHI-WYMRMTEXSA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@]12C(=O)CCC[C@@H]1[C@@](C)(CCC1=CC(=O)OC1)[C@H](C)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJLLFFUDFMVGBN-SWMUMAEJSA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@@]12C(=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFWHLULURLEEC-SWMUMAEJSA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@@]12C(=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTDJWBWGTLXWTI-WIZXHRKDSA-N", "SMILES:C/C=C(\\C)C(=O)OC[C@]12[C@H]3CCC[C@@]1(O)CO[C@@]2(O)C[C@H](C)[C@@]3(C)CCC1=CC(=O)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUMWEFKVZLKCEV-DOSULMPCSA-N", "SMILES:C[C@@H]1C[C@H](O)[C@@]2(COC(=O)c3ccc(N(C)C)cc3)C(=O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJPXXOSHDRFGCQ-WIGGVEJCSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDEVDINBEWURLD-RDDNVDJKSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASKCKRFHUAEXBU-FSUDMPOFSA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMGKKPRMYZCIAI-RUZGEFBHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOUNIVNYMPUOAY-HXIUBCSDSA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCBVVSINIVEUCO-FBRDICCOSA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWEKBIYYUDHBTL-FWJNDSIBSA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUDKMBHLWDJCH-BDEQMLCRSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC#N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGXNCRRTGQWPN-MLBDVJTGSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUUBREMWCSOFJY-IGUCBEICSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCVQFRDWOARAGY-UHFFFAOYSA-N", "SMILES:O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXQTBRFBXPOJD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVSCLPPKLQIMRO-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)CCC(=O)C(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVXRMNLZOPZCL-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)N1CCNCC1)C(c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBPMTSWCNAXIST-IZZNHLLZSA-N", "SMILES:O=C1CN(C(=O)N2C(c3ccc4c(c3)NC(=O)CNC4=O)=N[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENAOFSOABMOLO-AJQTZOPKSA-N", "SMILES:O=C1CN(C(=O)N2C(c3ccc4c(c3)N(c3ccccc3)C(=O)CNC4=O)=N[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)CCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPTNLLAKODQHMZ-RRPNLBNLSA-N", "SMILES:CC(C)Oc1cc(N)ccc1C1=N[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCNC(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYPWYUYQMBEAQR-WUFINQPMSA-N", "SMILES:COc1ccc(C2=N[C@@H](c3cc(Br)ccc3F)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTQJFOZONMLPL-CPJSRVTESA-N", "SMILES:CCOC(=O)C1=NN(C2CCCCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIUSVJZXJUTUQG-CPJSRVTESA-N", "SMILES:CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVJKWGROZJXQD-UVNLRBHVSA-N", "SMILES:O=C(Nc1cccc(-n2ccc(-c3ccccc3)n2)c1)C1=NN(c2ccc(Cl)cc2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZVNWGAQQJSTDL-IUDBTDONSA-N", "SMILES:O=C(Nc1cccc(-n2cccn2)c1)C1=NN(c2ccc(Cl)cc2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTIKSFBHIDVCFT-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2c(-c3ccccc3)[nH]c3cc(C)ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIDKQFGMXKRFAQ-UHFFFAOYSA-N", "SMILES:COc1cc(C(O)c2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2313487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTTHUXOEXYKHFJ-UHFFFAOYSA-N", "SMILES:COc1cc(Cc2c(-c3ccn(S(=O)(=O)c4ccccc4)c3)[nH]c3ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4095983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQXBUEPZSJJBJQ-LJAQVGFWSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4068667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZDAQXMGNYLXAY-JWIMYKKASA-N", "SMILES:CC(CC(=O)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRPHVMCKSYBPIY-BUSXIPJBSA-N", "SMILES:COc1cccc2c1NCC2C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUMGFEMNXBLDKD-UHFFFAOYSA-N", "SMILES:N#Cc1c2ccc(N)cc2nc2cc(N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBTICXFNIGNHEP-UHFFFAOYSA-N", "SMILES:CC(C)C(=O)Nc1ccccc1SC(=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPLDSAPSDBLLW-OXDQBNBYSA-N", "SMILES:C[C@@H]1C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2cscn2)C(=O)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIDRLHRXJFUPCX-DCMWNUTASA-N", "SMILES:CCCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](CC(CC)CC)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL524251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQICAVDTVBACIN-UHFFFAOYSA-N", "SMILES:Cc1ccnc(NC(c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIVWUGLXBPHZGR-SJARJILFSA-O", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYLPVCJRNBDBDV-SANMLTNESA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DALDEXOMZPMFCB-VWLOTQADSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVXMNDOTMGIEPI-HKBQPEDESA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPBVBHBFWUMHMQ-HKBQPEDESA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCN1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMOSJCSCRMZVTC-WAQYZQTGSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[N+](CC)(CC)CC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOJQHISMIGGIH-GXUZKUJRSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCC[N+](CC)(CC)CC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRLGKHNXRFBFRN-KGLWNCEWSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCC[N+](CC)(CC)CC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTNNXXURTGIYOQ-XIFFEERXSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQSYZPSFWXFYHK-XLQCLRHOSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[N+](CC)(CC)CC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJEFVPPOGSLGLK-LMDYQTDMSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[N+](CC)(CC)Cc1ccccc1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJPRXMQSJACGCS-LJAQVGFWSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBJAYQYCYGXWNG-NDEPHWFRSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEANAYUMHFLNY-LJAQVGFWSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAPSPSVVFNUOSJ-KYYDUREMSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(C[N+](CC)(CC)CC)c1.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQACLGRNYYIMFE-YTTGMZPUSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CN)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDMMEALGAAMIB-VWLOTQADSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMOKFCRWZNHOQK-XLQCLRHOSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[N+](CC)(CC)CC.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLIKKCGQQKLKQ-XIFFEERXSA-N", "SMILES:CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCN(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLWVWDSJGMTSRT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCCC(CNC(=O)OC(C)(C)C)C3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSIINHRFNXEONI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)N3CCCCC3)c(=O)n(Cc3ccccc3)c2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYDPOIONJUGDPE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)NCCN3CCCC3)c(=O)n(Cc3ccccc3)c2=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPRFYEUXOQMION-CMDGGOBGSA-N", "SMILES:O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZWWGXLJQMLNT-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCCSc1ccccc1C(F)(F)F)P(=O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVFDHOACFPIAC-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)NCCSc1ccccc1Cl)P(=O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXEHOFNBCTZSJL-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)P(=O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVGDNONDHVLFS-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)NCCSc1ccccc1Br)P(=O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHBUDQKEDHTXBM-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)P(=O)(c1ccccn1)c1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUPKCTYTTCJUSH-UHFFFAOYSA-N", "SMILES:O=C(CP(=O)(c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1)NCCSc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUBTBPNKJAZMZ-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCCSc1ccccc1C(F)(F)F)P(=O)(c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZQNSGLJZOYKHY-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)P(=O)(c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3763937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMKPWAZKFGCLHC-FIIDVNKBSA-N", "SMILES:CCC/C=C/C=C/C(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N2CCC[C@H]2C(=O)N2CCCC[C@H]2C(=O)N[C@@H](C)C(=O)N2C[C@H](C)C[C@H]2C(=O)O[C@H]1C"]}
{"name": "ATP-dependent Clp protease proteolytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL6066826"], "id": "UniProtKB:Q5F914", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:242231"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHKNCCOBPODTQJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnn(-c2ncc(OCc3cccc(OC)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLVMIPHOQFLXSW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccccc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVQGFYCENTVEBD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(-c2ncc(OCc3ccccc3)cn2)nc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTWSFXGTTYKQDU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccccc3)cn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWFBEWWHEZTFAJ-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ncc(OCc3ccccc3)cn2)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHSYQVRUCXZLEH-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ncc(OCc3ccccc3)cn2)c(C)c1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMKKRVNNSKHRQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1nn(-c2ncc(OCc3ccccc3)cn2)c2c1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZHBYPHXGBIIFX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccn(-c2ncc(OCc3ccccc3)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBUDUAPGJQJUMW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(Oc3ccccc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNODTOKJBNVHTH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCCc3ccccc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMWZNHCXNPCPAM-UHFFFAOYSA-N", "SMILES:CC(Oc1cnc(-n2cc(C(=O)O)cn2)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGQWJKBKXZBCT-UHFFFAOYSA-N", "SMILES:CCC(Oc1cnc(-n2cc(C(=O)O)cn2)nc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASWCBJFWLRPDRL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(COc3ccccc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGXOUBDLIDASCI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2nccc(OCc3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUQNDJLDENUFGA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(NC(=O)c3ccccc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIEFQUREEQTTAZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccccc3F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLVLZJRCZLNDKP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cccc(F)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYORUWRLABYCC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccc(F)cc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNMRHWDMIJNWPW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccccc3Cl)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSJAPAICKBSDGY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cccc(Cl)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYYGUQXTDBMAAP-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccc(Cl)cc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QERMGWXSGKKDNM-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1COc1cnc(-n2cc(C(=O)O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZABRVRVZGMBPIS-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(COc2cnc(-n3cc(C(=O)O)cn3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRNQORTFZNVQP-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(COc2cnc(-n3cc(C(=O)O)cn3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHABAJPWSNIFK-UHFFFAOYSA-N", "SMILES:COc1ccccc1COc1cnc(-n2cc(C(=O)O)cn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOWMPUHSCFOSF-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2cnc(-n3cc(C(=O)O)cn3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRCNPCDSRPOPAC-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2cnc(-n3cc(C(=O)O)cn3)nc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDGQGYGNLGXSQQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccccc3OC(F)F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMAATQHHEIMQKW-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cccc(OC(F)F)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAWKNIKQCNFGBB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccc(OC(F)F)cc3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTEFQRMMMRVQCO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cccc(Oc4ccccc4)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOGQSZFAKZEMJF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cccc(C(=O)c4ccccc4)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VROFOBDPMZQMLG-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cccc(OCc4ccccc4)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFJVKKAUWZJEOA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cccc(N4CCOCC4)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUWSNRAGKGDIQM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cccc(F)c3F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUXRMGVQYJNMGU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccc(F)cc3F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQYAAOPUPYXDE-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cc(F)ccc3F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDXEOJNELHCTA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3c(F)cccc3F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNKLWBOCYLZEB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccc(Cl)c(Cl)c3)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWNFMFNDCCSOSH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cc(Cl)ccc3Cl)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIZOLVUQMWAXST-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3c(F)cccc3Cl)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSOXAXQTRFLRQG-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2cnc(-n3cc(C(=O)O)cn3)nc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIMCWVSPLDENJJ-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc(COc2cnc(-n3cc(C(=O)O)cn3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSEBUPNJNGZROK-UHFFFAOYSA-N", "SMILES:COc1cc(COc2cnc(-n3cc(C(=O)O)cn3)nc2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGYNVKARACMNB-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2cnc(-n3cc(C(=O)O)cn3)nc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAIINLLZRAFKIK-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cc(OC(F)(F)F)ccc3F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXISSTICYQERSB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3cccc4c3OCO4)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VREJHJPBWANOOS-UHFFFAOYSA-N", "SMILES:COc1cc(COc2cnc(-n3cc(C(=O)O)cn3)nc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLPJWSNUHOXTHI-UHFFFAOYSA-N", "SMILES:Cc1cc(C)cc(COc2cnc(-n3cc(C(=O)O)cn3)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDMQSOFVIHFVQA-UHFFFAOYSA-N", "SMILES:O=C(O)c1cnn(-c2ncc(OCc3ccc(F)c(F)c3F)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNZUNPRTZJZIHO-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1"]}
{"name": "Polyprotein P1234", "xref": ["CHEMBL.TARGET:CHEMBL4295622"], "id": "UniProtKB:Q8JUX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:371094"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQXAREHFTBKQRM-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFQZABLKBXMHV-WEVVVXLNSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(-c2ccccc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTCDKFKYFJPCS-XBXARRHUSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(-c2ccccc2Cl)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEMWILYLDQDCCF-XBXARRHUSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(-c2ccccc2O)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGKKNJGDAEPOB-WEVVVXLNSA-N", "SMILES:Cc1ccccc1-c1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSSNFDMQRCWGAX-XBXARRHUSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPRAHPJBKOCRRP-XBXARRHUSA-N", "SMILES:COc1cccc(-c2cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKHOGMREOKNON-WEVVVXLNSA-N", "SMILES:CCOc1cccc(-c2cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJKDCYZIDFYXPA-XVNBXDOJSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGFLEZWBSITLT-ONNFQVAWSA-N", "SMILES:CCOc1ccc(-c2cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEGJOXHRMNNQTL-YCRREMRBSA-N", "SMILES:CSc1ccc(-c2cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBIHESXMHABHQF-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(C)(=O)=O)sn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGJZUXPWULHLAZ-KRXBUXKQSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLXISAQCVWIOHA-XBXARRHUSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEZPBFAECVWUPG-XBXARRHUSA-N", "SMILES:COc1ccc(OC)c(-c2cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCLCLHUCAVCFRP-XVNBXDOJSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(-c2c(Cl)cccc2Cl)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGAVKPHZZTUZKU-DUXPYHPUSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXHPIQVVBOTMRP-WEVVVXLNSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(C2CCCCC2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLGKQQGCTOBYKG-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1Cc1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSJUJQLAQMTVRV-YRNVUSSQSA-N", "SMILES:CCOc1ccccc1C(C)c1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HINYALNEOQZWPQ-UXBLZVDNSA-N", "SMILES:CC(c1ccccc1)c1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEOKYIVRKAXOC-RIYZIHGNSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(C(c2ccccc2)c2ccccc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBALILGNSVXRMY-XBXARRHUSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(-c2ccccn2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYMDVRQISVLVNY-XBXARRHUSA-N", "SMILES:Cn1cccc1-c1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDOLRKKFQRLTMO-XBXARRHUSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYCBGOVCPLMMBA-ONNFQVAWSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1n[nH]c2c1CCc1ccccc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQLPHQSRPOFFJE-WEVVVXLNSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUONVMZELGBEFZ-WEVVVXLNSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(NC(=O)c2ccccc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUAWIBZNOUJNIJ-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1C(=O)Nc1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDMBRQGPYUJLV-WEVVVXLNSA-N", "SMILES:CS(=O)(=O)/C=C/CNC(=O)c1cc(NC(=O)Nc2ccccc2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYYDLMGBXGRFY-UXBLZVDNSA-N", "SMILES:CN(C(=O)c1ccccc1)c1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIAVDIAQTJAHLX-YRNVUSSQSA-N", "SMILES:CCOc1ccccc1C(=O)N(C)c1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBEGKRQOHJCAIP-YRNVUSSQSA-N", "SMILES:CCOc1ccccc1-c1[nH]nc(C(=O)NC/C=C/S(C)(=O)=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUXNLJMNCDRPTM-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1[nH]nc(C(=O)NC/C=C/S(C)(=O)=O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHCZFVYTRIJLED-XYOKQWHBSA-N", "SMILES:C#Cc1c(C(=O)NC/C=C/S(C)(=O)=O)n[nH]c1-c1ccccc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAFGBTAISMWIEI-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1[nH]nc(C(=O)NC/C=C/S(C)(=O)=O)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTFVVJQVRPHPFZ-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(C)(=O)=O)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOYXEJATPCXCOW-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(C)(=O)=O)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUHCZKFVYARWQR-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(C)(=O)=O)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAIVPSKWAQMSHJ-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1ncc(C(=O)NC/C=C/S(C)(=O)=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWEYZFOLRVURID-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1ncc(C(=O)NC/C=C/S(C)(=O)=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHTGXOYWVNOMTJ-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1cnc(C(=O)NC/C=C/S(C)(=O)=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGDZTGFBJSHFCV-WUXMJOGZSA-N", "SMILES:CCOc1ccccc1-c1ccc(C(=O)NC/C=C/S(C)(=O)=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCBTGLDTXMOFB-WUXMJOGZSA-N", "SMILES:CCOc1ccccc1-c1ccc(C(=O)NC/C=C/S(C)(=O)=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVYKCXMGQUFEQX-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1nnc(C(=O)NC/C=C/S(C)(=O)=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJCQPCNWYWQER-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1nc(C(=O)NC/C=C/S(C)(=O)=O)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFIVZYFYPCXBHJ-YRNVUSSQSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(C)(=O)=O)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRZARTLJEMTYPM-YRNVUSSQSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(C)(=O)=O)c(C)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMASLCKBGQOLSH-YRNVUSSQSA-N", "SMILES:CCOc1ccccc1-c1nc(C(=O)NC/C=C/S(C)(=O)=O)c(C)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAEFJJPJWMHMNR-YRNVUSSQSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)N(C)C/C=C/S(C)(=O)=O)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTWATVPVROJWGF-WUXMJOGZSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)N(C/C=C/S(C)(=O)=O)C2CC2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLJWUGLYPVYNO-XYOKQWHBSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)N(C/C=C/S(C)(=O)=O)C(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTTWQNNZVKQATQ-XNTDXEJSSA-N", "SMILES:CCCCCN(C/C=C/S(C)(=O)=O)C(=O)c1cc(-c2ccccc2OCC)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEUZIQPDGURBOS-OQLLNIDSSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)N(C/C=C/S(C)(=O)=O)Cc2ccccc2)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOGTWRAWDRSOP-MDZDMXLPSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC(C)/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOGTWRAWDRSOP-BZYZDCJZSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)N[C@H](C)/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCOGTWRAWDRSOP-VMPCVLLUSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)N[C@@H](C)/C=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTOPBTMXIRYURQ-BUHFOSPRSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC(/C=C/S(C)(=O)=O)Cc2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPTDAGMPQFRTBE-VAWYXSNFSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C(C)=C/S(C)(=O)=O)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZYRJIXUIQRCC-UHFFFAOYSA-N", "SMILES:C=C(CNC(=O)c1cc(-c2ccccc2OCC)[nH]n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJVHTQHUZOUGV-VZUCSPMQSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(=O)(=O)C2CC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOKKFZVOXVJZEI-YRNVUSSQSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(=O)(=O)C(C)C)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZWZGBHOYXOORU-NTUHNPAUSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(=O)(=O)C2CCCC2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIZPLWDNZJGODY-RIYZIHGNSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(=O)(=O)c2ccccc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFWHGFKYEPKSDY-MKMNVTDBSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(=O)(=O)c2ccc(OC)cc2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVAFACREQUFJY-NTUHNPAUSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(=O)(=O)c2ccccc2F)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSBJONGCFQMZGP-NTUHNPAUSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/S(=O)(=O)c2ccccn2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSKRRQKJQHWEQX-UXBLZVDNSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/[S+](C)(=N)[O-])on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YREFQGIFZLCUMC-RMKNXTFCSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC/C=C/C(=O)OC)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZULWLLYWQUUYCV-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1-c1cc(C(=O)NC2CCN(C#N)C2)n[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYBKGBHMPQGAJZ-ONNFQVAWSA-N", "SMILES:CN(C)c1ccc(-c2cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOAFWIHZEBKYQK-OAHLLOKOSA-N", "SMILES:C[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CC5(C4)CN(S(C)(=O)=O)C5)nc3)c2c1)c1c(Cl)cncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWXRDSMQHQDOMJ-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(N(C)C)cc3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVVQZPCDNKXXJL-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2ncnc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHLQULUANHMXAU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVHJKEXQRAYLTL-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHXRRXDYCRXGC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(F)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBBPVFHIJSJFK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRVQOMSVVQYDLX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBKWKQOMYAIRNL-UHFFFAOYSA-N", "SMILES:CSc1ccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXAPXQYNEGIYTQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(C#N)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKWMQFPQZNIVBI-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(O)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHFKWIUILXZXMU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(N)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMJQJQLHYJRJA-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(C(N)=O)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCQQAPEXPNDLY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBLOCULICQQDF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWLOZWPFTIDEON-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYNRPRTQFEVGC-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KATJCXVFUONEPC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(C#N)c(F)c3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDDULKMYEJPKEW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL602537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNCYFOSCYNTRPV-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRCZBNTVOCVFD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQMJLBCKYNHBKL-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3cncnc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJPRCCCXJSSLJI-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3cnc(N)nc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLQIEWXXQJVIR-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccco3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVHXHRUJAXMRDR-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAZKOGQNOXQGAR-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3cnn(C)c3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHIRYCFHZSXZSK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(C3=CCCC3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAHPPQUEIMCROL-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(C3=CCCCC3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHGVKCUPPUULU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc4[nH]ccc4c3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUGZEQVHYAYPSX-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc4c(ccn4C)c3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCFPIMQWQMVBQ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc4c(c3)OCCO4)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUTKINZLPQIRPB-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3cnc4ccccc4c3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDDOILFLVGVSKI-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3cc4ccccc4s3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKGMLKNPXDYMFF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Oc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJIDXRIZYKJNJ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBXNOUKGRABTQF-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(CNc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WROSVQPHVFFXAV-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLNFXLGLWWANNT-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLNCSQZXVNOGKB-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nc(Nc3ccc(N)cc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNALORNFLHWMDN-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRSDIMRWFPJCNF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(OC)c(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVEWNNVBSUBBCF-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccc(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEXLVOJWQSUNNI-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(OC)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBSNOMJTKBHZPU-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(C)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FISWKYBGGGMGBM-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYFSBQGTRQRUNI-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(Cl)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDDNSIBNSXLDIM-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(C(F)(F)F)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFJGRODNLNWAE-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3c(C)c(C)ccc3c(Nc3ccc(N(C)C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNSUCRGLROQHW-XDJHFCHBSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Cl)cc1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFYNABRYCOYQCP-SDNWHVSQSA-N", "SMILES:CCCNC(=O)/C(=C/c1ccc(Cl)cc1)CS(=O)(=O)CCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEDIUFQWBGVUOX-JLHYYAGUSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Cl)cc1)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCIYKHLKQLYBV-NTCAYCPXSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Cl)cc1)C(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKICTGKAKSDMB-NBVRZTHBSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Cl)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXHXGZWSKWZRTB-JLHYYAGUSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQLKNUIRNZTAJD-NTCAYCPXSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOWJGAUCZDGHSV-XDJHFCHBSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKPQOLONLFTQTI-UKTHLTGXSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1cccc(Cl)c1)C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMCQJTYSBAIMFW-XMHGGMMESA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1cccc(Cl)c1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJUFLVUXVBJOFP-XMHGGMMESA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1cccc(Br)c1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFFWFWSJCXJXEO-QGOAFFKASA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NCCc1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLQADMHTMLLYHP-NBVRZTHBSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NCCc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFQOMDJHXLOHEB-NBVRZTHBSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NCCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYHVJPUFQNAGN-NBVRZTHBSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NCCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNCPVMQUUMBHB-NBVRZTHBSA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NCCc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMQTZDZRFKTMCH-XDJHFCHBSA-N", "SMILES:COc1ccccc1CCNC(=O)/C(=C/c1ccc(Br)cc1)CS(=O)(=O)CCC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUDLEPKYKFCFLU-QGOAFFKASA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NCCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQGAFTVYKKSSBJ-QGOAFFKASA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NCCc1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLAOYRAKSKHDI-QGOAFFKASA-N", "SMILES:N#CCCS(=O)(=O)C/C(=C\\c1ccc(Br)cc1)C(=O)NCCc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDAZVORPCTXKHM-XMHGGMMESA-N", "SMILES:COc1cccc(CCNC(=O)/C(=C/c2ccc(Br)cc2)CS(=O)(=O)CCC#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWJSUWDOZKWOSU-XDJHFCHBSA-N", "SMILES:N#CCCSC/C(=C\\c1ccc(Cl)cc1)C(=O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIVHFGGSZLLTNW-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1)NCCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5592675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXCQOGDIWJABPB-RLVXRTCBSA-N", "SMILES:COC[C@H](c1cnn2cc([C@@H](NC(=O)/C(F)=C\\C3CC3)C3CCC(F)(F)CC3)nc2c1)N1C[C@@H](C(F)(F)F)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOECCSMKICMYIT-NDEPHWFRSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEGPLMOMCBMKCT-LJAQVGFWSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXVVJBDACKYVGX-PMERELPUSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPJCDWMOZIAYNB-HKBQPEDESA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGUUCNBNOATICX-SFHVURJKSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQLQPAQMPSNPEL-IBGZPJMESA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLUAGYKZWJWHDF-FQEVSTJZSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRNCAURKFSIKEL-NRFANRHFSA-N", "SMILES:N[C@@H](Cc1c[nH]cn1)C(=O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAHWZMBJQNFHAJ-NRFANRHFSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGKWNAMGODFRV-QFIPXVFZSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAVNJLKJWRVFDP-QHCPKHFHSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5583687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEQQVUFKOWXXIA-DEOSSOPVSA-N", "SMILES:N[C@@H](Cc1ccccc1)C(=O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4596300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEILUNIAOIINON-QFIPXVFZSA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAMSUWXIOJFTB-QHCPKHFHSA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4596889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYZAREYILAFECL-DEOSSOPVSA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3343931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KADKUQSSIRPDHT-VWLOTQADSA-N", "SMILES:N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKPBEHBVALMEDG-VWLOTQADSA-N", "SMILES:N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXKAUCJKPFGKDZ-SANMLTNESA-N", "SMILES:N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFSWCDQEXDDLQY-MHZLTWQESA-N", "SMILES:N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFWFTDMSCXXPB-QHCPKHFHSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]cn1)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZMFLSJHKOEKMY-DEOSSOPVSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]cn1)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMISJRXNJRRGLZ-SANMLTNESA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPIYBDTXRDNRBO-MHZLTWQESA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXKJXCOIPWGDJM-NDEPHWFRSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEDLBYZLHTYNU-LJAQVGFWSA-N", "SMILES:COC(=O)[C@H](Cc1c[nH]c2ccccc12)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5584158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDIKQPPCBLVPNF-PMERELPUSA-N", "SMILES:COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFRKFHUISFQHGV-HKBQPEDESA-N", "SMILES:COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQBDRBXUPMVKME-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCCCNCCc3c[nH]cn3)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCIWKQUQLWGQQC-UHFFFAOYSA-N", "SMILES:c1ccc2c(NCCCCCCNCCc3c[nH]cn3)c3c(nc2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSTSDJVWQCNTMM-DEOSSOPVSA-N", "SMILES:COC(=O)[C@@H](N)Cc1ccc(OCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOUOSQWKDPDPTC-VWLOTQADSA-N", "SMILES:COC(=O)[C@@H](N)Cc1ccc(OCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGZJVQSIZLXIMU-SANMLTNESA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIAWAQQRJDKSF-MHZLTWQESA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSCAAIVJKYWIHO-NDEPHWFRSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEPWYIMUGOQVAJ-LJAQVGFWSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHKJHUKHIYXMMF-SANMLTNESA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5594120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTWCDESHQFKUHK-MHZLTWQESA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUWPYQGVEGGDFL-NDEPHWFRSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDKWXFFSYFRRSL-LJAQVGFWSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCKZIKXNXQVYOE-PMERELPUSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHMQWZIDBMILCP-HKBQPEDESA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5595828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWTLNZKCLALQCX-YTTGMZPUSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCCNc1c2c(nc3ccccc13)CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBYGPCHSQASFJC-LJAQVGFWSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(OCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPHWYACZDXREOJ-PMERELPUSA-N", "SMILES:COC(=O)[C@H](Cc1ccc(OCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1)NC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5593463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJKCFTBHTCVMGO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C)nc3nc(SCc4ccc(Br)cc4)nn23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOYUNRGZXHBQLS-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)NCCC#N)cc4)sc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCPRHDXVRKTKBT-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)NCCC#N)cc4)sc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUXWIHNUJFKNJ-UHFFFAOYSA-N", "SMILES:N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXDUEVWSVNWONM-UHFFFAOYSA-N", "SMILES:CC1CCCN(Cc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)NCCC#N)cc4)sc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AINWXFWQAUAREM-UHFFFAOYSA-N", "SMILES:N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEYNAESDUKZWNU-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(Cc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)NCCC#N)cc4)sc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBIVZQAYCLUONA-UHFFFAOYSA-N", "SMILES:N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSASBMGBQYOLB-UHFFFAOYSA-N", "SMILES:CCCCc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZYOEWAUFADTQB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCC(NC(=O)c4ccc(S(=O)(=O)NCCC#N)cc4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADMJKUGMLHDJHT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCC(NC(=O)c4c(F)cccc4F)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGQQRMSCIIRYLD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCC(NC(=O)c4cccc(Cl)c4Cl)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJHMPPORUJCHAP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCC(NC(=O)c4ccc(Cl)cc4Cl)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LORJHSUOFYYIOW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRZWVMLZFDDUFH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCC(NC(=O)c4c(Cl)cccc4Cl)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNYUMGXWGULZOG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCC(NC(=O)c4cccc(C(F)(F)F)c4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVMHFRPLTUANPF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCC(NC(=O)c4cccc(OC(F)(F)F)c4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJOZLDFTEBCXAJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCN(NC(=O)c4c(F)cccc4F)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJVADWRGTFSIJK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCN(NC(=O)c4cccc(Cl)c4Cl)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWMLMQDUYYWIQW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCN(NC(=O)c4ccc(Cl)cc4Cl)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYARNSOQMOCAAM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCN(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEGBRWKQJGSWHZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc2nc(N3CCN(NC(=O)c4ccccc4OC(F)(F)F)CC3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCAWOQLXTKUTJR-UHFFFAOYSA-N", "SMILES:CCCCc1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLIKLVIZEWZFIV-UHFFFAOYSA-N", "SMILES:CCCCc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMCEFUDXBQYKP-UHFFFAOYSA-N", "SMILES:CCCCc1ccc2nc(NC(=O)c3cccc(OC(F)(F)F)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTUWCDXAMVITSV-UHFFFAOYSA-N", "SMILES:CCCCc1ccc2nc(NC(=O)c3ccccc3C(F)(F)F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTIROLGFNKZMEI-UHFFFAOYSA-N", "SMILES:CCCCc1ccc2nc(NC(=O)c3ccccc3OC(F)(F)F)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKAPFHFZEZLTLU-KUXCXQDQSA-N", "SMILES:O=C(O)[C@@H]1[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)c2nc(CCc3cccc(Oc4ccccc4)c3)cn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZRSJGCHFTYPPL-WBADGQHESA-N", "SMILES:CC(C)O[C@H]1[C@H](O)[C@@H](O)c2nc(CCc3cccc(Oc4ccccc4)c3)cn2[C@@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQJNFHXJWWJPDX-GLYRRZRCSA-N", "SMILES:COC(=O)[C@H](NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMAISIUOQBGDD-BYYHNAKLSA-N", "SMILES:CC(NC(=O)c1ccccc1/N=N/c1c(O)ccc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBUNSHTYKZKDW-XHWLHZJSSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1ccccc1/N=N/c1c(O)ccc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVBUNSHTYKZKDW-IFQZSBTPSA-N", "SMILES:COC(=O)[C@H](NC(=O)c1ccccc1/N=N/c1c(O)ccc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUQVNFYRILALP-LSVUDHJXSA-N", "SMILES:COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1/N=N/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWUQVNFYRILALP-QZSABBLZSA-N", "SMILES:COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1/N=N/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVZXFMYRWGVAS-XJPNONJMSA-N", "SMILES:O=C(N[C@H](C(=O)O)c1ccccc1)c1ccccc1/N=N/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMVZXFMYRWGVAS-RBGJJZJSSA-N", "SMILES:O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccccc1/N=N/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNLSUFFVKPQAT-VHDCPZOCSA-N", "SMILES:O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1/N=N/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNLSUFFVKPQAT-SPMBKGGMSA-N", "SMILES:O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccccc1/N=N/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXLOFEBPGGJEFU-GHFCYRQVSA-N", "SMILES:COC(=O)[C@@H](NC(=O)c1ncccc1/N=N/c1c(O)ccc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYTDKDNZPVIALG-IJOGZLALSA-N", "SMILES:O=C(N[C@H](C(=O)O)c1ccccc1)c1ncccc1/N=N/c1c(O)ccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSCJAMBJNUWZNL-UHFFFAOYSA-N", "SMILES:CC(NC(=O)c1ccccc1NCc1c(O)ccc2ccccc12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SANDUKVJURFCRS-QFIPXVFZSA-N", "SMILES:O=C(COc1ccc(F)cc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSVYNBULIFHUGG-NDEPHWFRSA-N", "SMILES:O=C(COc1ccc(-c2cccc(F)c2)cc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADRYQIAQIIPXMR-NDEPHWFRSA-N", "SMILES:O=C(COc1ccc(-c2ccc(Cl)cc2)cc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTPIJRUMUFHROF-QFIPXVFZSA-N", "SMILES:O=C(COc1cccc(F)c1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPDXJLJVTIQKFG-QHCPKHFHSA-N", "SMILES:N#Cc1cccc(OCC(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCMTVLZNQNOYTB-NDEPHWFRSA-N", "SMILES:O=C(COc1ccc(-c2ccc(F)cc2)cc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGLQPMIYELXADW-NDEPHWFRSA-N", "SMILES:O=C(COc1ccc(-c2cccc(Cl)c2)cc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKKEIZITLDCMU-NDEPHWFRSA-N", "SMILES:O=C(COc1ccc(-c2cccc(C(F)(F)F)c2)cc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGLQPMIYELXADW-MUUNZHRXSA-N", "SMILES:O=C(COc1ccc(-c2cccc(Cl)c2)cc1)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHSGTGRKJIEGSX-UHFFFAOYSA-N", "SMILES:CNc1cc(F)cc2cc(C(=O)N3CCc4ccc(C(=O)NCCN5CCCC5)cc4C3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCOAMLYFOYJAMQ-UHFFFAOYSA-N", "SMILES:CCc1cccc2c(C(=O)N3CCc4ocnc4C3)n[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHKLQNINUXUAC-UHFFFAOYSA-N", "SMILES:O=C(NCCN1CCCC1)c1ccc2c(c1)CN(C(=O)c1cc3c(F)cc(C4CC4)cc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPBBEXBZRXROFC-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccc(C3CC3)cc2[nH]1)N1CCc2ocnc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOEUSFMNKKBIIE-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccc(C3CC3)cc2[nH]1)N1CCCc2cnccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWLDJIHFHPBTQG-UHFFFAOYSA-N", "SMILES:CCc1ccc2cc(C(=O)N3CCCc4cnccc4C3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCXKSWOLJCZLAR-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc2cc(C(=O)N3CCCc4cnccc4C3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTQZVZMCUWORD-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccc(C3CCC3)cc2[nH]1)N1CCCc2cnccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUHZQTDDQKCNJM-OKDJAKQTSA-N", "SMILES:C[C@]1(O)C[C@@H](c2ccc3cc(C(=O)N4CCCc5cnccc5C4)[nH]c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZQAYKXHUYBOBC-UHFFFAOYSA-N", "SMILES:O=C(c1cc2ccc(CCO)cc2[nH]1)N1CCCc2cnccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBKMKCVLVIDVQZ-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc2cc(C(=O)N3CCCc4cnccc4C3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKQSKUWMVJZQIF-UHFFFAOYSA-N", "SMILES:CC(C)(O)c1ccc2cc(C(=O)N3CCCc4cnc(N)c(F)c4C3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSXLSKPNXXRZRA-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)NCC32CCCCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKMCNQHKKTURDJ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)CCC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDYNNAZJYUKEX-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)NCC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKOHJOYGXMTBX-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)N(C)CC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJGRAKQXLOWGJE-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)NCC32CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJKJMYSWZTZGDD-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCCCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLALYUOKGMQZJP-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRKKBBDLFFJUQZ-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)N(C)C(=O)C32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDZYKOKJCWDDA-UHFFFAOYSA-N", "SMILES:CCN1C(=O)C2(CCOCC2)c2ccc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(N(CC)C4CCOCC4)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWXPMRSFWPKWNA-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)N(C(C)C)C(=O)C32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZZXEYLCXZEFSH-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCNCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWSHQYXNUKNFE-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAZBSLDQTQWMTH-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)N(C)C(=O)C32CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGKMZLQTZZDXDA-UHFFFAOYSA-N", "SMILES:CCN1CCC2(CC1)C(=O)N(C)c1cc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(N(CC)C4CCOCC4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKUDQFVDIDPIB-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)N(C)C(=O)C32CCN(C(C)C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCKVOKWMBNUQMT-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)CCC3N2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIOFTGWNBIZATC-UHFFFAOYSA-N", "SMILES:CCN(c1cc(-c2ccc3c(c2)C(N2CCOCC2)CC3)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FADJTYGNEWCCFM-UHFFFAOYSA-N", "SMILES:CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUKPKOLDPMNYJV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTMCKNWMKMDPGS-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(O)c1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHHMHHGOIZMELP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STKVJXVGBWEHAU-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLOLKDRUVZZCBU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJYLSSSTEHARLG-UHFFFAOYSA-N", "SMILES:O=C(Nc1cc(Cl)ccc1O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWVAJXGJVKNKO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(Cl)c1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLIYWVLCUCIRJF-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXVHELUNTWAKF-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEZBDAOSCCAEIO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Br)c1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOYQCSZCPVJSAE-UHFFFAOYSA-N", "SMILES:Nc1ccc(NC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZCLSNLJQSRJJM-UHFFFAOYSA-N", "SMILES:c1csc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMILXUQYGYHXSL-UHFFFAOYSA-N", "SMILES:Cc1ccsc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVUCESWYYMEGAV-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc4c(Nc5ccc6scnc6c5)ncnc4s3)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIFKXWGTMJGVCH-UHFFFAOYSA-N", "SMILES:c1nc(Nc2ccc3scnc3c2)c2cc(-c3cnn(C4CCNCC4)c3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSOQNBYTADZOHN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNAATVQWTPNZCN-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXHKFBPZXPCYST-UHFFFAOYSA-N", "SMILES:c1nc(Nc2ccc3scnc3c2)c2cc(-c3ccc4[nH]cnc4c3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAVTWOJXZSFIOV-UHFFFAOYSA-N", "SMILES:c1nc(Nc2ccc3scnc3c2)c2cc(-c3cc[nH]n3)sc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OECACUBSIHTPAY-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMPHVOTWONBRGP-UHFFFAOYSA-N", "SMILES:c1csc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNIKOSNVZFZGEJ-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITZFCWXHCWGEDT-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCAGRUMOVYZWHO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRYNKQRIUSAAQB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAJCUVIFFDDYSZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYLNYOWPNZPCNG-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJLNWZXMYGKXRU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPMPESQNBSLFAR-UHFFFAOYSA-N", "SMILES:Fc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRISMJRWKPIHAX-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVRDRZLDIOIMQT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZHVWABQIBNSJN-UHFFFAOYSA-N", "SMILES:Cc1nc(C)n(C)c1-c1cc2c(Nc3ccc4scnc4c3)ncnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAHPCRQUBGAVDK-UHFFFAOYSA-N", "SMILES:OCc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPNWWCNOVVPURT-UHFFFAOYSA-N", "SMILES:c1ncc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHDOJINBFLDQJM-UHFFFAOYSA-N", "SMILES:CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POTACIDDTZQGAV-KXBFYZLASA-N", "SMILES:CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cn(C(C)C)c3cccc(c23)N1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5202855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLYWXGQPKOLBO-KSSFIOAISA-N", "SMILES:CC(=O)n1cc2c3c(cccc31)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGMHMJLRYWSMNU-OSXBXZONSA-N", "SMILES:N[C@@]12CCC(=O)C3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)C2C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAOUGNPADFYPAY-LKJYRGEMSA-N", "SMILES:O=C1CC[C@]23C4[C@@H](CN(CC5CC5)C[N@@]42)[C@]32c3cccc(O)c3OC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FORVJMQGTQZRJF-OCGTUMIYSA-N", "SMILES:O=C1CC[C@@]23C4Cc5ccc(O)c6c5[C@@]2(CCN3CN4CCc2ccccc2)C1O6"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJZRENNYRRIIGI-GGXGYQBMSA-N", "SMILES:CN1CN2CC[C@]34c5c6ccc(O)c5OC3C(=O)CC[C@]24C1C6"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQOGPRWMXHMFLZ-DMEXSXSMSA-N", "SMILES:CC(=O)C(C(C)=O)=C1N(CC2CC2)C2Cc3ccc(O)c4c3[C@]35CCN1[C@]23CCC(=O)C5O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKCSVVQOYPETIB-HFIBFQPASA-N", "SMILES:CC(=O)/C=C1/NC2Cc3ccc(O)c4c3[C@]35CCN1[C@]23CCC(=O)C5O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCFRCIJLXFWTJS-QGLRWTMCSA-N", "SMILES:C[C@H](O)C[C@H]1NC2Cc3ccc(O)c4c3[C@]35CCN1[C@]23CCC(=O)C5O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCFRCIJLXFWTJS-FOSKBQCESA-N", "SMILES:C[C@@H](O)C[C@H]1NC2Cc3ccc(O)c4c3[C@]35CCN1[C@]23CCC(=O)C5O4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUQZNYAZKDTJT-UHFFFAOYSA-N", "SMILES:OC(CCN1CCC(c2ccc(F)cc2-c2ccccc2)CC1)c1c[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRLKQGJIUONTSK-UHFFFAOYSA-N", "SMILES:Cl.OC1(c2ccc(F)cc2-c2ccccc2)CCN(CCCc2c[nH]c3ccc(F)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGJZPVLSNZOTC-UHFFFAOYSA-N", "SMILES:Fc1ccc(C23CCN(CCCc4c[nH]c5ccc(F)cc45)CC2O3)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSOPTIUGXFCFHF-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc(C2=CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBYIFXRXKAGSQM-UHFFFAOYSA-N", "SMILES:CCSc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDRFOSZVSDKKIX-UHFFFAOYSA-N", "SMILES:C[S+]([O-])c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZURSULPEFZQJS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEHIUVUTPJACMT-UHFFFAOYSA-N", "SMILES:CSc1ccccc1N1CCN(CCCc2c[nH]c3ccc(C#N)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXZJEMYPBYSME-UHFFFAOYSA-N", "SMILES:CSc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXVHARXCEJOJIO-UHFFFAOYSA-N", "SMILES:CSc1ccccc1N1CCN(CCCCCc2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVGLJQBXOYHYDB-UHFFFAOYSA-N", "SMILES:CSc1ccccc1N1CCN(CCC(=O)c2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBUUMVAFSTIDD-UHFFFAOYSA-N", "SMILES:CSc1ccccc1C1=CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDBKUBUHTMKDHR-UHFFFAOYSA-N", "SMILES:CSc1ccccc1C1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4434876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFEVQPHSPAIFED-UHFFFAOYSA-N", "SMILES:Fc1ccc(C2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXXLQCMOBGUSIG-UHFFFAOYSA-N", "SMILES:CSc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTOCGQUFMZRGX-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKMDDCDZVHGLKD-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYCDZXBHJWMFGW-UHFFFAOYSA-N", "SMILES:Cl.NC(=O)c1ccc2[nH]cc(CCCN3CCC(c4ccc(F)cc4-c4ccccc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL225284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNBBJUHCODFLEG-UHFFFAOYSA-N", "SMILES:CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVFNMWYWZSUBFG-UHFFFAOYSA-N", "SMILES:CSc1ccccc1N1CCN(CCCCC2NC(C3CCCCC3)=NNC2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL224820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLISXDOJMLKAY-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3401493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBUJMUPYXVJGM-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1N1CCN(CCCCCn2cnc3sc(C)c(C)c3c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256737", "category": ["biolink:ChemicalEntity"], "name": "METHIOTHEPIN MESYLATE", "xref": ["InChIKey:CZMDZGZYKOGLJY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEIKPTLXEHWGMB-XFULWGLBSA-N", "SMILES:Cc1nnc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O.O=C(O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4646510", "category": ["biolink:ChemicalEntity"], "name": "COFROGLIPTIN", "xref": ["InChIKey:GUBOXFWNNXSQNH-SVGFKBNWSA-N", "SMILES:CS(=O)(=O)n1cc2c(n1)CN([C@@H]1C[C@H](N)[C@@H](c3cc(F)ccc3F)O[C@@H]1C(F)(F)F)C2"], "synonym": ["Cofrogliptin", "Cofrogliptine", "Cofrogliptina", "Haisco hsk 7653"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2103745", "category": ["biolink:ChemicalEntity"], "name": "SAXAGLIPTIN", "xref": ["InChIKey:AFNTWHMDBNQQPX-NHKADLRUSA-N", "SMILES:N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2.O"], "synonym": ["Saxagliptin", "Saxagliptin", "Saxagliptin", "Saxagliptine", "Saxagliptina", "Saxagliptin hydrate", "Saxagliptin", "Saxagliptin monohydrate", "Saxagliptin", "Saxagliptin hydrate", "Saxagliptin monohydrate", "BMS-477118-11", "NSC-760407", "Saxagliptin component of qternmet", "Saxagliptin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVZSXKFQIVMBIP-SQYFXPODSA-N", "SMILES:N[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)CN1CC(F)(F)CCC1=O.N[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)CN1CC(F)(F)CCC1=O.O.O.O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBFYBPDPBLVHHZ-TULUPMBKSA-N", "SMILES:Br.Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1.O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095063", "category": ["biolink:ChemicalEntity"], "name": "ENVONALKIB", "xref": ["InChIKey:BVGDAZBTIVRTGO-UONOGXRCSA-N", "SMILES:COc1cc(N2CCNC[C@@H]2C)ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1"], "synonym": ["Envonalkib", "Envonalkib", "Envonalkib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAHIYUNFMZWRQZ-SECBINFHSA-N", "SMILES:C[C@@H](Oc1cc(C(=O)Nc2ccc(=O)n(C)c2)nnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKBLFCHEFXTDBF-AWEZNQCLSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@@H](C)CNCC3)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSARFVPGJQLYDU-SFHVURJKSA-N", "SMILES:CCCC[C@H]1CNCCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUPLQVJAOMLAS-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)ncnn3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDYZXHSJFDQENC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnn4cc(-c5cnn(CCO)c5)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZRVIBIFSSVDAU-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nccc5ccn(-c6ccc(C)cc6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARHZYNVDTKIXEC-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(Nc4nccc5ccn(-c6ccc(Br)cc6)c(=O)c45)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRARWETUOCZGOC-NTEUORMPSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(=O)/C=C/c3ccc(F)cc3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCWBUURASCWHC-AWNIVKPZSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEDYRXLLZSZRO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3cnn(-c4ccccc4)c3C)[nH]c(=O)c2C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFFPQTNVEZXWTI-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cc(-c3cccc(Cl)c3Cl)c(C#N)c(=O)[nH]2)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHTMYMGKJHIOND-UHFFFAOYSA-N", "SMILES:N#CC1=C(N)OC2=C(c3sc(N)c(C#N)c3CC2)C1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQVXGWWWPOXCMP-VZCXRCSSSA-N", "SMILES:CCOC(=O)/C(Sc1nc2ccccc2c(=O)n1C(=O)OCC)=C1/SC=C(O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCBNUARMZIDNU-UHFFFAOYSA-N", "SMILES:CN1CCN(CC(=O)Nc2ccc(Nc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCXJRHKWYSGJQE-UHFFFAOYSA-N", "SMILES:Nc1nccc(Oc2ccc(NC(=O)c3ccnn(-c4ccc(F)cc4)c3=O)cc2F)c1C#CCC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFCUGJYLROAILZ-VSORCOHTSA-N", "SMILES:Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)/C(=C/c1nc3ccccc3[nH]1)C(=O)N2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AREYWCZYVPSHGS-NVMNQCDNSA-N", "SMILES:O=C1Nc2ccc(CN3C(=O)CSC3=O)cc2/C1=C/c1cc(CN2CCOCC2)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWWKFNUCZJIMLN-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cl)c(COCC2Cc3cn4ncnc(-c5cnn(C6CCNCC6)c5)c4c3C2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLUJKCHWGIOPO-UHFFFAOYSA-N", "SMILES:c1coc(COCC2Cc3cn4ncnc(-c5cnn(C6CCNCC6)c5)c4c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXVXFNAQWFFVMN-UHFFFAOYSA-N", "SMILES:c1cncc(COCC2Cc3cn4ncnc(-c5cnn(C6CCNCC6)c5)c4c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCMCZJABWMPJSQ-UHFFFAOYSA-N", "SMILES:Clc1ncccc1COCC1Cc2cn3ncnc(-c4cnn(C5CCNCC5)c4)c3c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMMJRKJNLCJBHK-UHFFFAOYSA-N", "SMILES:CN1CCc2ccc(COCC3Cc4cn5ncnc(-c6cnn(C7CCNCC7)c6)c5c4C3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEGLHMBACWFPJE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)NCCc4ccc(F)cc4)cc3F)ncnc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHDSJLJOOCLKPW-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(OCCCOc2ccc3c(OCCn4nc(-c5cn[nH]c5)ccc4=O)ccnc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRKZMDXSUEQLM-UHFFFAOYSA-N", "SMILES:CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4c3Oc3ccccc3N4)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQMQUDLCVLXZPW-UHFFFAOYSA-N", "SMILES:c1cnc2nc(CSc3nnc4ccccn34)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUYWDQGTCYAZTM-UHFFFAOYSA-N", "SMILES:O=c1ccc(-c2cccc(F)c2)nn1Cc1nc(-c2ncccn2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLVMPCOCQKWJPM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCOc1ccc(-c2cc(=O)n3ncc(C#N)c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCFAHGIFWWZTEB-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)COc1ccc(-c2cc(=O)n3ncc(C#N)c3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMUPLERTSABBRI-UHFFFAOYSA-N", "SMILES:N#Cc1cnn2c(=O)cc(-c3ccc(OCC(=O)NCCOCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPXFRBIFIDMFSK-UHFFFAOYSA-N", "SMILES:O=c1n(CCCN2C3CCC2CC(OCc2ccccc2F)C3)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOXWBXIOJCWXGN-UHFFFAOYSA-N", "SMILES:O=c1n(CCCN2C3CCC2(F)CC(OCc2ccccc2F)C3)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZELSLUZQZDPUCU-UHFFFAOYSA-N", "SMILES:O=c1n(CC(F)CN2C3CCC2CC(OCc2ccccc2F)C3)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPOIVBXUFRQKA-UHFFFAOYSA-N", "SMILES:O=c1n(CC(O)CN2C3CCC2CC(OCc2ccccc2F)C3)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYSZMJBEONCYEN-UHFFFAOYSA-N", "SMILES:O=c1n(CCCN2C3CCC2CC(OCc2ccccc2F)C3)nc2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQXIMIMILVRHJW-UHFFFAOYSA-N", "SMILES:O=c1n(CCCN2C3CCC2(F)CC(OCc2ccccc2F)C3)nc2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCSQQDHDPACKCW-UHFFFAOYSA-N", "SMILES:O=c1n(CC(F)CN2C3CCC2CC(OCc2ccccc2F)C3)nc2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYQPPOITIKTIET-UHFFFAOYSA-N", "SMILES:O=c1n(CC(O)CN2C3CCC2CC(OCc2ccccc2F)C3)nc2n1CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSJXZGNKLYGVOL-UHFFFAOYSA-N", "SMILES:O=c1n(CCCN2C3CCC2CC(COc2ccccc2F)C3)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRSRGBOQLDFHSX-UHFFFAOYSA-N", "SMILES:O=c1n(CCCN2C3CCC2(F)CC(COc2ccccc2F)C3)nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1172910", "category": ["biolink:ChemicalEntity"], "name": "HEPTADECANOIC ACID", "xref": ["InChIKey:KEMQGTRYUADPNZ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCCC(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5596609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLDEZGLVXPNOJ-GVCHXLJZSA-N", "SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8OC(=O)CC(C)(O)CC(=O)OC[C@@]7(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5596056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLDRMSCXKLUZKZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccccc2)CC(c2ccc(F)cc2)N(c2ccccc2)C1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQEOYVPELRBCBZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(F)cc2)CC(c2ccc(F)cc2)N(c2ccc(F)cc2)C1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADOPCGOHJLZEFF-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(F)cc2)CC(c2cccc(F)c2)N(c2ccc(F)cc2)C1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHFDDAHTUXSMR-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(F)cc2)CC(c2ccc(C(F)(F)F)cc2)N(c2ccc(F)cc2)C1c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMBNNLGYDINVQN-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(Nc2cccc(F)c2)CC(c2ccc(C(F)(F)F)cc2)N(c2cccc(F)c2)C1c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNIABXFLSKCNND-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(Nc2ccc(F)cc2)CC(c2ccc(Cl)cc2)N(c2ccc(F)cc2)C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFAMAAZWKDKPHQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(Nc2cccc(F)c2)CC(c2ccc(Cl)cc2)N(c2cccc(F)c2)C1c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTSDNLRQLSLZJD-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(Nc2cccc(F)c2)CC(c2ccc(F)cc2)N(c2cccc(F)c2)C1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4585148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MECVZQUPJAELHS-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N(C)C)ccc1Nc1nc(OC2CCCC2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUWWRSQCDUQDEZ-LCMBLOJZSA-N", "SMILES:C[C@H](Oc1cc(C(=O)N(C)C)ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIUWZSVKRRRQHI-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(C)CC2)ccc1Nc1ncc2c(n1)-n1ccc(C(N)=O)c1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPQHLQHCROJYTG-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCN(C)CC2)ccc1Nc1ncc2c(n1)-n1ccc(C(=O)Nc3ccccc3)c1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2047959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTMJODBGZJGLMG-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVJSDHYWXPUABU-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCOCC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXGHRCVPGFJEZ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAMVRRQCSVQBEQ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1ncc2cccc(NC3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUJMXGXTHYJMGB-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1Nc1ncc2cccc(NC3CCCCC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLDWKYDSOOEFG-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1Nc1ncc2cccc(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3092035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZYCXABMMWBLJO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1ncc2cccc(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWMLKEOAKLLLKM-UHFFFAOYSA-N", "SMILES:CCOc1ccc2[nH]nc(-c3ccccc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXGHIBLIRSFIIW-UHFFFAOYSA-N", "SMILES:CCOc1ccc2[nH]nc(-c3ccc(NC(C)=O)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GELSCYBDXQYAMW-UHFFFAOYSA-N", "SMILES:CCOc1ccc2[nH]nc(-c3cccc(NC(C)=O)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2380577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNGZIGUKNHSJB-UHFFFAOYSA-N", "SMILES:CCOc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUHKXKGPLTYXSO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISQWISHTMSJFQ-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAWLWBPMILFOPZ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1nccn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMCQVFQANHXPX-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)c1ccc(-c2cnc3c(NCCC(F)(F)F)nccn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4642174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDDPDNMLOPPAFX-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3c(NCCC(F)(F)F)nc(Cc4ccccc4)cn23)ccc1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4634949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYWIVXQQLAWEZ-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cnc3c(NCCC(F)(F)F)nc(Oc4ccccc4)cn23)ccc1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXJKXTZFHYHUNX-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIBNWMLKRSXDKD-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSDOGBDKRWOMIK-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1cc2[nH]c(-c3cn[nH]c3)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEUXYMIIIBPCKC-UHFFFAOYSA-N", "SMILES:CCOc1ccccc1Nc1cc2[nH]c(-c3cn[nH]c3)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3109955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEZVBDUJVUPHKM-UHFFFAOYSA-N", "SMILES:Clc1ccccc1Nc1cc2[nH]c(-c3cn[nH]c3)cc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWAPUHXVVWFCFW-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3ccc(S(=O)(=O)N(C)C)cc3Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMYIRTWZKCFRRG-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2cnc(Nc3ccc(-c4cnn(C)c4)cc3Cl)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXHHRUITLRQZFT-UHFFFAOYSA-N", "SMILES:COC1CCN(C(=O)c2ccc(Nc3cc4[nH]c(C(=O)N(C)C)cc4cn3)c(Cl)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBZLMWCSXRVNQ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(C(=O)N(C)C)n3C(=O)OC(C)(C)C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYFQPBUUBCABJI-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2nncn2C)ccc1Nc1nc(NC2CCCCC2)c2cccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCIBHLOXJFNPE-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2nncn2C)ccc1Nc1nc(NC2CCC(OC)CC2)c2cccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXPBOZKBLGXOP-SMQSCJQKSA-N", "SMILES:CCOc1cc(-c2nncn2C)ccc1Nc1nc(N[C@H]2CC[C@@](C)(O)CC2)c2cccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSQHUJCNDWSHO-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2nncn2C)ccc1Nc1ncc2ccc(C3=CCOCC3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMRRQNCOHUIGT-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2nncn2C)ccc1Nc1ncc(-c2ccc(C(=O)NC3CC3)cc2)c(NCC(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTXXBVNZOFQBO-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2nncn2C)ccc1Nc1ncc(-c2ccc(C(=O)NC)cc2)c(NCC(C)(C)C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTUTQUVYFZLFS-ZETCQYMHSA-N", "SMILES:CCCCS(=O)(=O)N[C@H]1CCOC1=O"]}
{"name": "Transcriptional activator protein TraR", "xref": ["CHEMBL.TARGET:CHEMBL5865"], "id": "UniProtKB:P33905", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:358"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKSMNFISRCQYKN-VIFPVBQESA-N", "SMILES:CCCCCCS(=O)(=O)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1449381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOUDUBBAPNUGPP-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYEMLXCHILHHQI-AJTCFPGGSA-N", "SMILES:C[C@@H]1O[C@H](NS(=O)(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQPCZNIJHWXNK-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)NC1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDMKIQQTUMXSDN-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)NC1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNHINCWMJKHFKW-VIFPVBQESA-N", "SMILES:CCCCCCOC(=O)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4763776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPXJKSNXSPIROH-JTQLQIEISA-N", "SMILES:O=C(N[C@H]1CCOC1=O)OCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODQGGFSPGJRAI-ZETCQYMHSA-N", "SMILES:CCCCSC(=O)N[C@H]1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBAXSYRKYJHBNE-JTQLQIEISA-N", "SMILES:O=C(N[C@H]1CCOC1=O)SCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3182719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKKZMYDNDDMXSE-UHFFFAOYSA-N", "SMILES:CCOC(=O)CC(=O)c1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5287002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJUXLKYJKQBZLM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CC(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIGDIKWVBBNKGY-UHFFFAOYSA-N", "SMILES:O=C(CN1CCOCC1)Oc1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1236450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKUUVOPOQKZMFY-UHFFFAOYSA-N", "SMILES:O=C(Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXSUYIPTSOFKRD-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCn1nnc(CC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COFSJBOFRZDTGA-UHFFFAOYSA-N", "SMILES:CCCCCCc1cncn1C1CCOC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUBAEOUCTADATB-UHFFFAOYSA-N", "SMILES:CCCCCCc1cncn1CC(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYEWAJSFFIIKCW-UHFFFAOYSA-N", "SMILES:Nc1cc(NCC(=O)Nc2ccc(F)cc2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKPNORSVYHXHJA-UHFFFAOYSA-N", "SMILES:Fc1ccc(-n2cc(CNc3ccnc(C(F)(F)F)c3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5090908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWSDRNYEGNKRGV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBTMMONOQSPKNE-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNALPAAZALEIRJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)Cn2cc(CSc3nc4ccccc4c(=O)n3C3CC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5426510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITDFMPUKGDSVPP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1OCCc1cn(-c2ccc(-c3c(Cl)cccc3Cl)cc2)c2ccc(-c3ccc(F)cc3)cc12"]}
{"name": "N(6)-adenosine-methyltransferase catalytic subunit METTL3", "xref": ["CHEMBL.TARGET:CHEMBL5724601"], "id": "UniProtKB:Q8C3P7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBAKDKDSSJJCHL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQKDDMRCQAIGA-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)NO)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGIRNWJSIRVFRT-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1c2cc(F)c(=O)cc-2oc2cc(O)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1253979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEKLBBNTWGKTGV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1-c1c2cc(Cl)c(=O)cc-2oc2cc(O)c(Cl)cc12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5597797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNZSXRUSOMIKCQ-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cc(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)nn2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIRPEFJLKJLCII-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3cc(O)ccc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMTXKNFIJITKR-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3sc(N)nc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989553", "category": ["biolink:ChemicalEntity"], "name": "NAFAMOSTAT MESYLATE", "xref": ["InChIKey:SRXKIZXIRHMPFW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1"], "synonym": ["Nafamostat mesilate", "Nafamostat dimethanesulfonate", "Nafamostat mesilate", "Nafamostat mesylate", "Ronastat", "FUT-175", "Nafamostat mesylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPMIDJNIJYJAT-UHFFFAOYSA-N", "SMILES:CCc1ccc(CN(Cc2cccnc2)C(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIUVDCJCYGUFHV-UHFFFAOYSA-N", "SMILES:COc1ccc(CCNCc2cc(OC)c3c(c2)OCO3)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5597347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCVXZPIRGMYCSX-UHFFFAOYSA-N", "SMILES:O=c1sn(Cc2ccccc2)c(=O)n1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGZSQQYPGDCIGU-UHFFFAOYSA-N", "SMILES:O=c1cc(CN(Cc2ccccc2)C2CC2)[nH]c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZVBKCJHULLMHK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1n[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXWNTWYVQBQGSL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2cncs2)nc1)c1cc(C(=O)c2ccccc2C(F)(F)F)c[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFYZEZBYDUETCY-YYSNUDLOSA-N", "SMILES:CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPEGNKAXYSEQDC-BEBSEGTMSA-N", "SMILES:C=C1C(=O)O[C@H]2CC3=C[C@@H](C/C(C)=C/[C@@H](OC(=O)Cc4cccc5ccccc45)[C@H]12)OC3=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5272075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUOPRSXUVOHFE-GZZMZBIISA-N", "SMILES:C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5598003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBOCRXKKDKIIK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(N4CCN(C)CC4)c(C(F)(F)F)c3)cc2)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSBFSYPZGOCKS-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(NC(=O)Nc3ccc(-c4cc(C(=O)NC)c5ncccc5n4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPBUUXNMVBXRTI-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(N4CCN(C)CC4)c(C(F)(F)F)c3)cc2)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHKNQFPXBUBTEJ-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(NC(=O)Nc3ccc(-c4cc(C(=O)NC(C)C)c5ncccc5n4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVAIMKSDEQJDOD-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(N4CCOCC4)c(C(F)(F)F)c3)cc2)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCOPSAHRXNNVGC-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)cc2)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJANJVCRTFQLOI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ccc(NC(=O)Nc3ccc(-c4cc(C(=O)NC)c5ncccc5n4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZHPCJYZCWYEK-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(N4CCOCC4)c(C(F)(F)F)c3)cc2)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJOOIINTUAAAQD-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)cc2)nc2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QARIGWACNRPTIB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCN(c2ccc(NC(=O)Nc3ccc(-c4cc(C(=O)NC(C)C)c5ncccc5n4)cc3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSLGRNFTBBMCH-RNIAWFEPSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(Br)s1)=N/O)/C(Cc1ccc(Br)s1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZAZLPKPQJZGQA-RNIAWFEPSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccc(Br)o1)=N/O)/C(Cc1ccc(Br)o1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMHBITHYHHPXIC-YHARCJFQSA-N", "SMILES:O=C(NCC[Se][Se]CCNC(=O)/C(Cc1ccsc1)=N/O)/C(Cc1ccsc1)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UESGQWRBQKCKQA-NTEUORMPSA-N", "SMILES:CCc1ccccc1C(=O)c1cnc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJHMUJLARMAOGT-GXDHUFHOSA-N", "SMILES:CCc1cc(/C=C/C(=O)O)ccc1Oc1c(C(=O)c2ccccc2CC)cnc2cc(O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOGRAVRHOFITBQ-UKTHLTGXSA-N", "SMILES:CCc1ccccc1C(=O)c1cnc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIDQROHTFZLLK-UHFFFAOYSA-N", "SMILES:COCCN1CCN(CC(O)COc2c3c(c(-c4ccc5c(c4)OCO5)c4cc(OC)c(OC)cc24)C(=O)OC3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWHIETXTZYBYKN-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCCN3CCN(C)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQDSPEDVIRVDOK-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCCCN3CCN(C)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUETXGYGORAIJZ-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCCCN3CC4CC3CN4C)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAHBFZKBBGFYPM-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCCCN3CC4CCC3CN4C)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWBFEYYOZFPMW-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCCCN3C4CCC3CN(C)C4)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMWRTXVTODPTMR-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCCCN3CC4CCC(C3)N4C)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGYQMWYFKMVYSI-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCC(O)CN3CC4CCC(C3)N4C)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDRXNKXNOLYGQA-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCCCN3CC4CC3CO4)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UECHQAPDOOJEIA-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCCCN3CC4CCC3CO4)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHCKTMVSCSNNRM-UHFFFAOYSA-N", "SMILES:COc1cc2c(OCCCN3C4CCC3COC4)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAKIWHONKALQGS-UHFFFAOYSA-N", "SMILES:COc1cc2c(OC3CNC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJZQKBJHSRMKF-UHFFFAOYSA-N", "SMILES:COc1cc2c(OC3CCNC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIZGDOZOIZVWHU-UHFFFAOYSA-N", "SMILES:COc1cc2c(OC3CCNCC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5420199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUSWNNKZWMZVCC-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCc1c[nH]c2ccccc12)c1cc(F)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNQHOQXJWVDEOK-ISLYRVAYSA-N", "SMILES:CC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(N)(=O)=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQSGNVRSAGFWEF-FMQUCBEESA-N", "SMILES:CC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)NC(=N)N)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWADSNRIJUCIQ-QZQOTICOSA-N", "SMILES:CC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGINJWXEMWNKOE-QZQOTICOSA-N", "SMILES:CC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQHAAHGGXJWXMZ-QURGRASLSA-N", "SMILES:CC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)Nc3noc(C)c3C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKIQAQCPSIYRE-GHVJWSGMSA-N", "SMILES:CC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSEVBKJCGZMTOI-OCOZRVBESA-N", "SMILES:CC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXMAGGALVDPPX-QURGRASLSA-N", "SMILES:CC(=O)Nc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUJRRGGZRPLKZ-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPUJRRGGZRPLKZ-FIBGUPNXSA-N", "SMILES:[2H]C([2H])([2H])OC(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFOLKZYGOCUPMP-UHFFFAOYSA-N", "SMILES:COC(C)(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKGZFXQUYVLPQZ-UHFFFAOYSA-N", "SMILES:CC(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBGFODGJEVMWQN-UHFFFAOYSA-N", "SMILES:C=C(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNHSVDAVQPXJHJ-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)c(C(F)(F)F)c1)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUOJBWVZUEJFQ-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)cc1Br)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTYWGUNWQBPKKY-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)cc1Cl)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUTZKTJVINCPDF-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)cc1C)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMDBAVDNXFNGLF-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)cc1OC(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYKBKQQLHJCRMA-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)cc1[N+](=O)[O-])c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPOOUOZBVKFVEV-UHFFFAOYSA-N", "SMILES:COC(c1c(F)cccc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTUUGYIEOKXRSY-UHFFFAOYSA-N", "SMILES:COC(c1cc(F)ccc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDEZQWPWGKSZMX-UHFFFAOYSA-N", "SMILES:COC(c1ccccc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICJPDQSMINKMQC-UHFFFAOYSA-N", "SMILES:COC(c1ccc(Cl)cc1Cl)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBOMWBJGYMDHBE-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)cc1C(F)(F)F)c1nnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZDYPKYHWAJYSQ-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)cc1C(F)(F)F)c1c(Br)nc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZNXYGCUXIMCAG-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)cc1Cl)c1c(Br)nc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVMPJYNZQWPYOE-UHFFFAOYSA-N", "SMILES:COC(c1ccc(F)cc1Cl)c1c(C(F)(F)F)nc2n1CCN(c1cn[nH]c(=O)c1Cl)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKPJMJRHBZNVER-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2nc3c(C(C)C)cn(-c4c(F)cccc4Cl)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWTPBRZFUYDMDU-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C4(C)CC4)cn(-c4c(F)cccc4Cl)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKHGAJNZLMFKSM-UHFFFAOYSA-N", "SMILES:C=C(C)c1cn(-c2c(F)cccc2Cl)c(=O)c2cc(F)c(-n3nc(CO)n(CC)c3=O)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJASKIYNFMGKBI-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4ccccc4Cl)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCYLCWJHUGTABX-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4ccccc4F)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOLSWSBEDJJWIF-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4ccccc4C(F)F)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDCNVTSJBHEPPC-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4ccccc4C(F)(F)F)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNZSNEUZFVAEAW-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4ccccc4OC)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQGHOMFQXYMGGJ-UHFFFAOYSA-N", "SMILES:CCc1ccccc1-n1cc(C(C)C)c2cc(-n3nc(CO)n(CC)c3=O)c(F)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYCZJHMSZISUBI-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4cccc(F)c4C)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOEXOYLAYSYVJS-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4ccc(F)cc4C)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSVLPCNXMQPWSB-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4cc(F)ccc4C)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDCPTWHYSKMLIY-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4c(C)cccc4F)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBVOWLVSEMJSHW-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4c(C)cnc(OC)c4Cl)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMYUWRDJQZRCZ-CQSZACIVSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c([C@@H](C)C(F)(F)F)cn(-c4ccccc4C)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWMYUWRDJQZRCZ-AWEZNQCLSA-N", "SMILES:CCn1c(CO)nn(-c2cc3c([C@H](C)C(F)(F)F)cn(-c4ccccc4C)c(=O)c3cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVJNMGRFHZVRL-UHFFFAOYSA-N", "SMILES:CCn1c(CO)nn(-c2nc(OC(C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKDQVEFMHITZOD-KRWDZBQOSA-N", "SMILES:O=C(CCCCCCCN1C(=O)[C@@H]2CCC(=O)N2Cc2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POAZOUYKKZYIJL-FERBBOLQSA-N", "SMILES:CC(=O)O.O=C(CCCCCCCN1C(=O)[C@@H]2CCCN2Cc2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBHCLGHGLDHJEV-QFIPXVFZSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CN1C(=O)CC[C@H]1C(=O)N2CCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCIYGGVRZRKQOZ-HNNXBMFYSA-N", "SMILES:COc1cc2c(cc1O)CN1C(=O)CC[C@H]1C(=O)N2CCCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJUHZHGDWPHUEQ-NTISSMGPSA-N", "SMILES:CC(=O)O.O=C(CCCCCN1C(=O)[C@@H]2CCCN2Cc2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQOZTTXOEACIFF-FQEVSTJZSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CN1C(=O)CC[C@H]1C(=O)N2CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEGXUSZKKPFPQO-ZDUSSCGKSA-N", "SMILES:COc1cc2c(cc1O)CN1C(=O)CC[C@H]1C(=O)N2CCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWTQDCRHWHUSRL-LMOVPXPDSA-N", "SMILES:CC(=O)O.O=C(CCCCCCN1C(=O)[C@@H]2CCCN2Cc2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILXWMXIWGPGVPJ-NRFANRHFSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CN1C(=O)CC[C@H]1C(=O)N2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOACHELLQOHWTF-AWEZNQCLSA-N", "SMILES:COc1cc2c(cc1O)CN1C(=O)CC[C@H]1C(=O)N2CCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAJRHNQZXOMIFD-FERBBOLQSA-N", "SMILES:CC(=O)O.O=C(NO)c1ccc(CN2C(=O)[C@@H]3CCCN3Cc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVFRXWWFPBMFNA-QFIPXVFZSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CN1C(=O)CC[C@H]1C(=O)N2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXSDNQGCHLINK-HNNXBMFYSA-N", "SMILES:COc1cc2c(cc1O)CN1C(=O)CC[C@H]1C(=O)N2Cc1ccc(C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTICYIHFSRGJHK-FYZYNONXSA-N", "SMILES:CC(=O)O.O=C(Cc1ccc(CN2C(=O)[C@@H]3CCCN3Cc3ccccc32)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZATUKZDTOOQFR-QHCPKHFHSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CN1C(=O)CC[C@H]1C(=O)N2Cc1ccc(CC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICIZVJTPWJEJZ-INIZCTEOSA-N", "SMILES:COc1cc2c(cc1O)CN1C(=O)CC[C@H]1C(=O)N2Cc1ccc(CC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBSWSWVEKVNID-QFIPXVFZSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CN1C(=O)CC[C@H]1C(=O)N2Cc1ccccc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKSFKIMYWRVKEF-HNNXBMFYSA-N", "SMILES:COc1cc2c(cc1O)CN1C(=O)CC[C@H]1C(=O)N2Cc1ccccc1C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVIZJWFYHOQGPP-QFIPXVFZSA-N", "SMILES:COc1cc2c(cc1OCc1ccccc1)CN1C(=O)CC[C@H]1C(=O)N2Cc1cccc(C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQPMDCHCQVVODY-HNNXBMFYSA-N", "SMILES:COc1cc2c(cc1O)CN1C(=O)CC[C@H]1C(=O)N2Cc1cccc(C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCPXPWLRTMFPKK-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccccc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOOGJYROGPUNI-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccccc3[N+](=O)[O-])C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDOFXZCMNCPLZ-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccccc3F)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQUTWUNWRCOEM-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1=C(c2cn(CCCn3cncc3C)c3ccccc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJSLQSOXCOSEN-UHFFFAOYSA-N", "SMILES:COc1ccccc1C1=C(c2cn(CCCn3cncc3C)c3ccccc23)C(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PISPFABUUQXAQR-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPSYTCDVSJJKR-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(F)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQNNIBMSGAPPAC-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3cc(F)c(F)cc3F)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMHBOVOCKRVULG-UHFFFAOYSA-N", "SMILES:COc1ccc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYZEDKZSRTIDC-UHFFFAOYSA-N", "SMILES:Cc1cccc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBPMBNBRKJYNBP-UHFFFAOYSA-N", "SMILES:COc1cccc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMQDQNHDARSXTF-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3cccc(F)c3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPXVWKPWNHGFM-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3cccc([N+](=O)[O-])c3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKMLHIYJWUSKS-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCN4CCOCC4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKHOSOXYYILGOG-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCN4CCCCC4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTYADSXEHZYTQP-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCN4CCN(C)CC4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYXWNJCBNMTKCZ-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCN4CCOCC4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDBFFMFRUXAKZ-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCN4CCCCC4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXVZAPGFMCRPCD-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCN4CCN(C)CC4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNBIURMEQKWRG-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYJZRIQGZTDKV-UHFFFAOYSA-N", "SMILES:CCCCOc1ccc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKJCEROMXMRLDA-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCN4CCN(c5ccccc5)CC4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQIUOQYDQHSBHU-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCN4CCN(c5ccccc5)CC4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVVKVYBZDYGWCS-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCc4ccccc4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTDLVDKCCKZCFW-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCc4ccccc4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJVRVMUGHIJYLX-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCN4CCCC4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFLCXXZHRSOSHM-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCN4CCCC4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJMQTIAZXLYLR-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCn4ccnc4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKULJGFBPRRPJR-UHFFFAOYSA-N", "SMILES:Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCn4ccnc4)cc3)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYVYUZTXCMHSJE-UHFFFAOYSA-N", "SMILES:COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPBXCRKTYWBROG-UHFFFAOYSA-N", "SMILES:COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDRICUHIKGPXCL-UHFFFAOYSA-N", "SMILES:COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQDRCRWUXQKOKO-UHFFFAOYSA-N", "SMILES:COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADFPXLKMIRXYKN-UHFFFAOYSA-N", "SMILES:COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUYHXRGVHZGIJY-UHFFFAOYSA-N", "SMILES:COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YADOZGPQCVZIJC-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2=C(C)NC(=O)NC2c2ccc(OC)c(OC)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTINVBRJJHOEBW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2=C(C)NC(=O)NC2c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYUVEFVIHGGIU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)C2=C(C)NC(=S)NC2c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRHDOGWOLCTDIR-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUPNHASVBYZOM-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WISMDTLYDJXTEB-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAOUMJVKVRPJEA-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYWCTPFTLLONTD-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccn(Cc2ccccc2)n1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWXIDTFTTUJOOX-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMZISHHOFXQQY-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(-c2nnn[nH]2)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MULRKYJSBVOOGX-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXYMWJJGFJSJIY-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYKOWAZMSKRVNA-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDIDULRBGBSTBR-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFUZEMYFFJKNOI-UHFFFAOYSA-N", "SMILES:COC(=O)C(CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPMXUMIQVXENIP-UHFFFAOYSA-N", "SMILES:Cn1ccnc1C(=O)c1ccc(NC(=O)CC(C(=O)O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZMQSBTVXPZGS-UHFFFAOYSA-N", "SMILES:Cn1ccnc1C(=O)c1ccc(NC(=O)CC(C(=O)O)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWZFTAXSTYRJPQ-UHFFFAOYSA-N", "SMILES:O=C(CC(C(=O)O)c1ccc(C(F)(F)F)cc1)Nc1ccc(C(=O)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIAXSVKXGTZSPS-UHFFFAOYSA-N", "SMILES:O=C(CC(C(=O)O)c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPROUCABUUXKHH-UHFFFAOYSA-N", "SMILES:COc1ccc(C(CC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTKAEEWKNXZBSL-UHFFFAOYSA-N", "SMILES:Cn1ccnc1C(=O)c1ccc(NC(=O)CC(C(=O)O)c2csc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3964347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMIGAQUBRPEFDM-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5078831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPJPLIQFUNNNU-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYOAWVAKNILLAI-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5093994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSRGTYBEJPCJDH-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2[se]c3ccccc3c2=O)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5077179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHJSKFCASYYJBN-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5542162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVLZQQLCXKTQDL-UHFFFAOYSA-N", "SMILES:COc1ccc2[se]n(-c3ccccc3)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5085970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DULMUIKFSYXIGY-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1-n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5087429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQBSQHLLEDVAAM-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5084537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCSRHGLYNCIRNI-UHFFFAOYSA-N", "SMILES:CCc1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5089153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNBKJFDJYNBTBP-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5071765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQUNMDJWBDDWMW-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5088374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHQJDYHRUPGTGN-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2[se]n1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3894673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUVKZFWBFHCOGE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5094204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOISFZYZVKOVRI-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-n1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBBUYAXWKCBAIE-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-n2[se]c3ccccc3c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3913676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFNLROFKXBUCTG-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDRAZCMSUQENNX-UHFFFAOYSA-N", "SMILES:CCCCCCCc1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFUJGDDAPVJCFE-UHFFFAOYSA-N", "SMILES:CCCCCCCCc1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZLIBXHDIUXLE-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1cccc1-c1cccc(NC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTYWRGCSZWJFNH-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)n1cccc1-c1cccc(NC2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJHMUMSPUVJHI-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2cccc(-c3cccn3S(=O)(=O)c3ccccc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRMJZHWKWUHPFF-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)n1cccc1-c1cccc(N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAORPUOYKSZEAC-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(F)c1)n1cccc1-c1cccc(N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTXQKYXAZNGCW-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(Cl)c1)n1cccc1-c1cccc(N2CCNCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVLNHLGPWXBYPN-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(NC2CCNCC2)c1)n1cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIMZRBVBHNUDE-GOSISDBHSA-N", "SMILES:O=S(=O)(c1cccc(N[C@@H]2CCNC2)c1)n1cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNIMZRBVBHNUDE-SFHVURJKSA-N", "SMILES:O=S(=O)(c1cccc(N[C@H]2CCNC2)c1)n1cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHTWHZBPNLIOV-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(N2CCNCC2)c1)n1cccc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZVAHAIVMFEMLA-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(N2CCNCC2)c1)n1cccc1-c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJLWIJZJNINRM-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(N2CCNCC2)c1)n1cccc1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMRZNVABYXMFSI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(N2CCNCC2)c1)n1cccc1-c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZLWJXNUDKIRBI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cccc(N2CCNCC2)c1)n1cccc1-c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJFGQBMRYAWEMM-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cccn2S(=O)(=O)c2cccc(N3CCNCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEDXCWCMWDUDDF-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1ccn(S(=O)(=O)c2cccc(Cl)c2)c1-c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQKPBBPKXKYAIA-XYFPIFFSSA-N", "SMILES:Cc1ccc2c(c1C(OC(C)(C)C)C(=O)O)[C@]1(CC2)CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVYMTDDCTDWZNQ-UNDGMBGUSA-N", "SMILES:Cc1ccc2c(c1C(OC(C)(C)C)C(=O)O)[C@]1(CCC2)CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWGJYGJZNBVICL-GAGQZBRVSA-N", "SMILES:Cc1ccc2c(c1C(OC(C)(C)C)C(=O)O)[C@]1(CC[C@H](C)CC1)CC2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIMVOSAPENNXDD-QCAVMSNVSA-N", "SMILES:COC1C[C@]2(CC[C@@H](C)CC2)c2c1ccc(C)c2C(OC(C)(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMPRNTJGZKSNTF-ISOPCDAXSA-N", "SMILES:Cc1ccc2c(c1C(OC(C)(C)C)C(=O)O)[C@]1(CC[C@H](C)CC1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5277931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGSMBBVZYWHGQB-QFIPXVFZSA-N", "SMILES:Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVIAHLOZUOZVDM-CYCITACWSA-N", "SMILES:CNC(=O)c1cc(C)c(C(OC(C)(C)C)C(=O)O)c2c1CC[C@]21CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUMJMBRFSPKECC-YOIFNTHFSA-N", "SMILES:Cc1cc(C(=O)N(C)C)c2c(c1C(OC(C)(C)C)C(=O)O)[C@]1(CC2)CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOCGXOOCXICPKC-OALABLEBSA-N", "SMILES:Cc1cc(C(=O)NC(C)C)c2c(c1C(OC(C)(C)C)C(=O)O)[C@]1(CC2)CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGHZSVTROHRFC-IYJHBTDNSA-N", "SMILES:Cc1cc(C(=O)NCC(C)C)c2c(c1C(OC(C)(C)C)C(=O)O)[C@]1(CC2)CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMSZNTZMLFAIQ-PIVTYTDVSA-N", "SMILES:Cc1cc(C(=O)NC2CCCCC2)c2c(c1C(OC(C)(C)C)C(=O)O)[C@]1(CC2)CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRZALXVPTWGHE-ZLGRQJJPSA-N", "SMILES:Cc1cc(C(=O)NC2CCCCCC2)c2c(c1C(OC(C)(C)C)C(=O)O)[C@]1(CC2)CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUGOEVUKNMOFIZ-HFVZURJOSA-N", "SMILES:Cc1cc(NC(=O)CC(C)C)c2c(c1C(OC(C)(C)C)C(=O)O)[C@]1(CC2)CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMSZNTZMLFAIQ-PRNOATFWSA-N", "SMILES:Cc1cc(C(=O)NC2CCCCC2)c2c(c1[C@H](OC(C)(C)C)C(=O)O)[C@]1(CC2)CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDMSZNTZMLFAIQ-VLOVYFPZSA-N", "SMILES:Cc1cc(C(=O)NC2CCCCC2)c2c(c1[C@@H](OC(C)(C)C)C(=O)O)[C@]1(CC2)CC[C@@H](C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJSZYNIKGJGYSQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJIDQNFZXWUKCK-IOTWFPJVSA-N", "SMILES:CCCCCCCCCCCCCCCC[C@]1(O)C=C[C@H](OC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@H]1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL210842", "category": ["biolink:ChemicalEntity"], "name": "PLAKEVULIN A", "xref": ["InChIKey:SOLXJOFQECGRPS-FUDKSRODSA-N", "SMILES:CCCCCCCCCCCCCCCC[C@]1(O)C=C[C@H](O)[C@H]1C(=O)OC"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5596135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMSIHQRSTJAVNZ-UHFFFAOYSA-N", "SMILES:Nc1cccc2c1C(=O)N(C1CCCNC1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHJGMCUQOVSULQ-UHFFFAOYSA-N", "SMILES:CN1CCCC(N2C(=O)c3cccc(N)c3C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHZUWHZXFWRNOU-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCCC(N2C(=O)c3cccc(N)c3C2=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQBXLNMNOKHNS-MRXNPFEDSA-N", "SMILES:c1ccc(CN2CCC[C@@H]2COc2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAAYORVVAWBQE-OAHLLOKOSA-N", "SMILES:Fc1ccccc1CN1CCC[C@@H]1COc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBQWGSKNSSEAF-LJQANCHMSA-N", "SMILES:c1ccc2c(CN3CCC[C@@H]3COc3ccc4c(c3)OCO4)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJONCSHOSXSCLM-HXUWFJFHSA-N", "SMILES:COc1cccc(OC[C@H]2CCCN2Cc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJONCSHOSXSCLM-FQEVSTJZSA-N", "SMILES:COc1cccc(OC[C@@H]2CCCN2Cc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFPWJALPXIKNX-HXUWFJFHSA-N", "SMILES:COc1ccc(OC[C@H]2CCCN2Cc2cccc3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHJRXXYWWWGPF-QGZVFWFLSA-N", "SMILES:O=[N+]([O-])c1cccc(OC[C@H]2CCCN2Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHJRXXYWWWGPF-KRWDZBQOSA-N", "SMILES:O=[N+]([O-])c1cccc(OC[C@@H]2CCCN2Cc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIZAGVSOGTKQQ-HXUWFJFHSA-N", "SMILES:O=[N+]([O-])c1cccc(OC[C@H]2CCCN2Cc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZIZAGVSOGTKQQ-FQEVSTJZSA-N", "SMILES:O=[N+]([O-])c1cccc(OC[C@@H]2CCCN2Cc2cccc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJWOOACVZLWTR-OAQYLSRUSA-N", "SMILES:O=c1ccc2ccc(OC[C@H]3CCCN3Cc3cccc4ccccc34)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJWOOACVZLWTR-NRFANRHFSA-N", "SMILES:O=c1ccc2ccc(OC[C@@H]3CCCN3Cc3cccc4ccccc34)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOQGWDHDBMVDSR-RUZDIDTESA-N", "SMILES:O=c1cc(-c2ccccc2)c2ccc(OC[C@H]3CCCN3Cc3cccc4ccccc34)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOQGWDHDBMVDSR-VWLOTQADSA-N", "SMILES:O=c1cc(-c2ccccc2)c2ccc(OC[C@@H]3CCCN3Cc3cccc4ccccc34)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQBXLNMNOKHNS-INIZCTEOSA-N", "SMILES:c1ccc(CN2CCC[C@H]2COc2ccc3c(c2)OCO3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCAAYORVVAWBQE-HNNXBMFYSA-N", "SMILES:Fc1ccccc1CN1CCC[C@H]1COc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHZQOJBEKNAHL-GOSISDBHSA-N", "SMILES:Clc1cccc(OC[C@H]2CCCN2Cc2cccc3ccccc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXHZQOJBEKNAHL-SFHVURJKSA-N", "SMILES:Clc1cccc(OC[C@@H]2CCCN2Cc2cccc3ccccc23)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCBQWGSKNSSEAF-IBGZPJMESA-N", "SMILES:c1ccc2c(CN3CCC[C@H]3COc3ccc4c(c3)OCO4)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFPWJALPXIKNX-FQEVSTJZSA-N", "SMILES:COc1ccc(OC[C@@H]2CCCN2Cc2cccc3ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWDPOONNVBXPDZ-UWVGGRQHSA-N", "SMILES:C[C@H]1C[C@@H](C(=O)NC2(C#N)CC2)N(C(=O)c2cc(C(F)(F)F)nn2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POPPWQGOJOOYHG-UWVGGRQHSA-N", "SMILES:C[C@H]1C[C@@H](C(=O)NC2(C#N)CC2)N(S(=O)(=O)c2cc(C(F)(F)F)nn2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZDWDNKKPLZLCC-JSGCOSHPSA-N", "SMILES:C[C@H]1C[C@@H](C(=O)NC2(C#N)CC2)N(C(=O)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXBNNVBCJXBAPU-ZFWWWQNUSA-N", "SMILES:C[C@H]1C[C@@H](C(=O)NC2(C#N)CC2)N(C(=O)Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAPIAVGSKUUHSV-UZNNEEJFSA-N", "SMILES:CNC(=O)[C@H](NC(=O)Cc1cccc(O[C@H]2CCc3cc(-c4cnc(Nc5ccccc5)nc4)ccc32)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKXPQPXJZUDSOG-CQTOTRCISA-N", "SMILES:NC(=O)[C@H](NC(=O)Cc1cccc(O[C@H]2CCc3cc(-c4ncc(Nc5ccccc5)cn4)ccc32)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNOASONHKFIGV-JSOSNVBQSA-N", "SMILES:CNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)Cc1cccc(O[C@H]2CCc3cc(-c4cnc(Nc5ccccc5)nc4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTZFURUMYLKGHC-ZFEZZJPFSA-N", "SMILES:CNC(=O)[C@H](NC(=O)Cc1cccc(O[C@@H]2Cc3ccc(-c4cnc(Nc5ccccc5)nc4)cc3C2)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCIOFEULPWIVRC-PUDHBBIYSA-N", "SMILES:CNC(=O)[C@H](NC(=O)Cc1cccc(O[C@H]2CCc3cc(-c4cncc(Oc5ccccc5)c4)ccc32)c1)C1CCCCC1"]}
{"name": "GDNF family receptor alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL6066244"], "id": "UniProtKB:O00451", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBNIRBRCLBDLL-UKILVPOCSA-N", "SMILES:CNC(=O)[C@H](NC(=O)Cc1cccc(O[C@H]2CCc3ccccc32)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYNOASONHKFIGV-CONSDPRKSA-N", "SMILES:CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1cccc(O[C@H]2CCc3cc(-c4cnc(Nc5ccccc5)nc4)ccc32)c1"]}
{"name": "GDNF family receptor alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL6066221"], "id": "UniProtKB:O60609", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQIDOWJYXWOMS-LQJZCPKCSA-N", "SMILES:COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1cccc(O[C@H]2CCc3cc(-c4cncc(Oc5ccccc5)c4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDKFSCFVKVKGP-SFHVURJKSA-N", "SMILES:O[C@H]1CCc2cc(-c3cnc(Nc4ccccc4)nc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPEDTDGXNOWRTM-VWLOTQADSA-N", "SMILES:O=C(O)Cc1cccc(O[C@H]2CCc3cc(-c4cnc(Nc5ccccc5)nc4)ccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEXYTVMWZODGDM-LMSSTIIKSA-N", "SMILES:CNC(=O)[C@H](NC(=O)Cc1cccc(O[C@H]2CCc3cc(-c4cncnc4)ccc32)c1)C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RORWTTKRWXIHGJ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(=O)N(CC(=O)c2cccs2)C1=O"]}
{"name": "Pyruvate carboxylase", "xref": ["CHEMBL.TARGET:CHEMBL6066831"], "id": "UniProtKB:A0A0H3JRU9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:158878"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEGVVQHQUFCGN-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(c2ccccc2)C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUQMWOVXUXXTEB-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)N1C(=O)C(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXCVDWDHCSRQER-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(C2CCCc3ccccc32)C(=O)N1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUFLJTZIQVSPLL-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(c2ccccc2)C(=O)N1CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOSSBPQJCDOFLC-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(c2ccccc2)C(=O)N1CCc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOQMPYHFLOMEMW-UHFFFAOYSA-N", "SMILES:O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVAUSGGQLKHITD-UHFFFAOYSA-N", "SMILES:COc1ccc(N2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL292639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZESXSJIWNIMKF-UHFFFAOYSA-N", "SMILES:O=C(O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQWUTRZZDQNUKX-UHFFFAOYSA-N", "SMILES:COC(=O)CN1C(=O)C(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIPAIVUSBITBMY-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1C(=O)C(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVICFWJKHVPWKH-UHFFFAOYSA-N", "SMILES:CCCOC(=O)CN1C(=O)C(=O)N(c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDGDWMYFDXSZIH-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1C(=O)C(=O)N(CC(=O)OCC)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVJVJWDVQFGLJW-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1C(=O)C(=O)N(c2ccc(F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWNYBYFEIPDOHJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1762074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFDWXDVGORJTIB-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1C(=O)C(=O)N(CCc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNACOOOJBUNQV-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXSCFWAYCVAKKU-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNTRBHWBILKYST-UHFFFAOYSA-N", "SMILES:CCOC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHRYTORGZGZBIM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCN1C(=O)C(=O)N(c2ccc(F)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSJNCARJWAXNJK-UHFFFAOYSA-N", "SMILES:COC(=O)CCN1C(=O)C(=O)N(Cc2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDNAMSCIAQGKI-UHFFFAOYSA-N", "SMILES:O=C(c1n[nH]c2c(F)cccc12)N1CCOc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGHICVBDUUWEHT-UHFFFAOYSA-N", "SMILES:O=C(c1n[nH]c2ccccc12)N1CCOc2ccncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLNRXTFZZCRIDL-UHFFFAOYSA-N", "SMILES:O=C(c1n[nH]c2ccc(F)cc12)N1CCOc2ccncc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKSMMZYZVNFZSO-UHFFFAOYSA-N", "SMILES:O=C(c1n[nH]c2c(F)cccc12)N1CCNc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USDJEKDASUHKAI-UHFFFAOYSA-N", "SMILES:O=C(c1n[nH]c2ccccc12)N1CCNc2ccc(F)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTECTVZIPNVMHV-UHFFFAOYSA-N", "SMILES:O=C(c1n[nH]c2ccccc12)N1CCOc2cccc(F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBWWHNNGCSLMOA-UHFFFAOYSA-N", "SMILES:CCOCCNc1ncc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNXSYRDJJUUKKB-UHFFFAOYSA-N", "SMILES:O=C(O)CCCNc1ncc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQXPDWZAIGLMMC-UHFFFAOYSA-N", "SMILES:O=C(O)COCCNc1ncc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODAGNWFSQXRCS-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCNc1ncc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZANGYHTVFDBHN-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCNc1ncc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHISZVDHHTQII-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCNc1ncc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCJWYUMNPYARSD-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1ncc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1)Nc1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNFVWKDWABJSIY-OVDDLZOASA-N", "SMILES:O=C(COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCCC(=O)N[C@@H](CCCNc1ncc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMKYOQDZMABHTC-QHCPKHFHSA-N", "SMILES:CC(C)(C)OC(=O)N[C@@H](CCCNc1ncc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTYONMQSORNFOT-IBGGEVANSA-N", "SMILES:O=C(COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCCC(=O)N[C@@H](CCNc1ncc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASPVXSDRHLIGHZ-QNGWXLTQSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)N[C@@H](CCCNc4ncc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)s4)C(=O)O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDHWDUOFJFGUFY-XIFFEERXSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)N[C@@H](CCNc3ncc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)s3)C(=O)O)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJEQHUHMSIGDKX-BHVANESWSA-N", "SMILES:CN(C)c1ccc2c(-c3ccc(C(=O)N[C@@H](CCNc4ncc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)s4)C(=O)O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTRJQKCFRLYACL-UMSFTDKQSA-N", "SMILES:Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)N[C@@H](CCCNc3ncc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)s3)C(=O)O)=[N+]1[B-]2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSHXPELIHNYJBY-QGZVFWFLSA-N", "SMILES:CCOCCNc1nc2c(s1)C=Cc1cc(Cl)ccc1[C@@H]2c1cn(C)c(=O)[nH]c1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQWYDZCIYINORK-UHFFFAOYSA-N", "SMILES:COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDAAHRNKUSYKPP-UHFFFAOYSA-N", "SMILES:N#CSc1sc(N)nc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKTBNMHXGZGOAG-UHFFFAOYSA-N", "SMILES:N#CSc1sc(N)nc1-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHQPZFWCWKPABV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(-c2nc(N)sc2SC#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUOLMBXGHHSYHC-QORSJFMISA-N", "SMILES:CC1CC(c2cccc(N3Cc4c(cc(CN5CCC[C@H](C)C5)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPTAZJQZIGTOIM-UHFFFAOYSA-N", "SMILES:Cn1cnnc1CC1(c2cccc(N3CC4=C(C(F)(F)F)C=C(CN5CCC(C)(F)CC5)CN4C3=O)c2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMASCDNZQEYDZ-UHFFFAOYSA-N", "SMILES:CC1CC(c2cccc(N3C(=O)c4cc(CNC5(C)CCC5)cc5c(F)ccc3c45)c2)(c2nncn2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZEXCTFXOCMPSR-BXDARHBISA-N", "SMILES:CO[C@H]1C[C@@](c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)F)C3=O)c2)(c2nncn2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFTZTMLUYFWVBY-UHFFFAOYSA-N", "SMILES:Cn1cnnc1C1(c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)CC2(CC(F)(F)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJEQWHRLDYTMPE-OHUGHZGNSA-N", "SMILES:Cn1cnnc1[C@H](c1cccc(N2Cc3c(Cl)cc(CNC4(C)CCC4)cc3C2=O)c1)[C@H]1C[C@@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXOEGMBVWGSAQ-VURWPYGMSA-N", "SMILES:CC1CC(c2cccc(-c3nc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cc4[nH]3)c2)(c2nncn2C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUVDLUFOIVKZJE-GOSISDBHSA-N", "SMILES:C[C@H](c1cc(C(F)(F)F)c2nc(-c3cccc(CC4(c5nncn5C)COC4)c3)[nH]c2c1)N1CCC2(CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSTCJEUVNIWAET-UHFFFAOYSA-N", "SMILES:COCCNCc1cc(C(F)(F)F)c2oc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFVLUXBYMUKJIJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(NC3CCCCC3N)c(C#N)c3cn[nH]c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMTYSNNBPMWGEE-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(NC3CCCCC3N)c(F)c3cn[nH]c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIEVUSAUPNUFIN-UHFFFAOYSA-N", "SMILES:Cn1cc(Nc2nc(NC3CCCCC3N)c(F)c3cn[nH]c(=O)c23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHONRRXZHKGULI-UHFFFAOYSA-N", "SMILES:CCOc1cccc(Nc2nc(NC3CCCCC3N)c(F)c3cn[nH]c(=O)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKWMCJUXNIHCCJ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cccc(Nc3nc(NC4CCCCC4N)c(F)c4cn[nH]c(=O)c34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRAVPIZILHDOJY-ZWKOTPCHSA-N", "SMILES:N[C@H]1CCCC[C@H]1Nc1nc(Nc2cccc(N3CCOCC3)c2)c2c(=O)[nH]ncc2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNROZJIOSZGGBL-VQTJNVASSA-N", "SMILES:N#Cc1c(N[C@@H]2CCCC[C@@H]2N)nc(Nc2cccc(N3CCOCC3)c2)c2c(=O)[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJNWVXMPPCVCG-VQTJNVASSA-N", "SMILES:N#Cc1c(N[C@@H]2CCCC[C@@H]2N)nc(Nc2cccc(N3CC4(COC4)C3)c2)c2c(=O)[nH]ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGWLGIOZFOBIIA-VYXDICFBSA-N", "SMILES:C[C@@H]1CN(c2cccc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)c(C#N)c4cn[nH]c(=O)c34)c2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYEBOLKOLIMREE-UHFFFAOYSA-N", "SMILES:Cn1nc(N2CCC(=O)NC2=O)c2cc(C3CCN(Cc4cccc(S(=O)(=O)N5CCC(Nc6ncc(C(F)(F)F)c(-c7cnn(CC(F)(F)F)c7)n6)CC5)c4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHAKMFGDAMCBMG-UHFFFAOYSA-N", "SMILES:O=C1CCC(c2ccc(N3CCN(Cc4cccc(S(=O)(=O)N5CCC(Nc6ncc(C(F)(F)F)c(-c7cnn(CC(F)(F)F)c7)n6)CC5)c4)CC3)cc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COTLDOOFKOBCEU-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4CN(Cc5cccc(S(=O)(=O)N6CCC(Nc7ncc(C(F)(F)F)c(-c8cnn(CC(F)(F)F)c8)n7)CC6)c5)C4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTVZAZFAPDAYJT-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cc(F)c(N4CC5(CN(Cc6cccc(S(=O)(=O)N7CCC(Nc8ncc(C(F)(F)F)c(-c9cnn(CC(F)(F)F)c9)n8)CC7)c6)C5)C4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIXIJRSWBTVNJW-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2Cc3ccc(N4CCC5(CCN(Cc6cccc(S(=O)(=O)N7CCC(Nc8ncc(C(F)(F)F)c(-c9cnn(CC(F)(F)F)c9)n8)CC7)c6)CC5)CC4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJZWJOZFNPAVQS-UHFFFAOYSA-N", "SMILES:O=C1CCC(N2C(=O)c3cc(F)c(N4CCN(Cc5cccc(S(=O)(=O)N6CCC(Nc7ncc(Cl)c(-c8cnn(CC(F)(F)F)c8)n7)CC6)c5)CC4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKJNDBCJFQLAOE-UHFFFAOYSA-N", "SMILES:Cn1nc(N2CCC(=O)NC2=O)c2ccc(C3CCN(Cc4cccc(S(=O)(=O)N5CCC(Nc6ncc(C(F)(F)F)c(-c7cnn(-c8ccccc8F)c7)n6)CC5)c4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWPRKVOQVRSNIB-UHFFFAOYSA-N", "SMILES:Cn1nc(N2CCC(=O)NC2=O)c2ccc(C3CCN(CC4CCN(S(=O)(=O)N5CCC(Nc6ncc(C(F)(F)F)c(-c7cnn(CC(F)(F)F)c7)n6)CC5)CC4)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVLYCYQYRMGUOB-WCAHNEMGSA-N", "SMILES:CCc1cccc2cc(O)cc(-c3ncc4c(N5CCC[C@@](C)(O)C5)nc(OCC5(CN6CCC(OC7CCN(c8ccc9c(c8)CN(C8CCC(=O)NC8=O)C9=O)CC7)CC6)CC5)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNKAAEVPMKKCRG-PAKSXQJZSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCC[C@@](C)(O)C5)nc(OCC5(CN6CCC(C)(CN7CC8(CCN(c9ccc%10c(c9)CN([C@H]9CCC(=O)NC9=O)C%10=O)CC8)C7)CC6)CC5)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLLCXBHORFUEMB-FROOTOADSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCC[C@@](C)(O)C5)nc(OCC5(CN6CCC(OC7CCN(C8CCN(c9ccc%10c(c9)CN(C9CCC(=O)NC9=O)C%10=O)CC8)CC7)CC6)CC5)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGXHGVLSIVUGHD-DZBMQSJHSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCC[C@]6(CCO6)C5)nc(OCC5(CN6CCC(CN7CCN(c8ccc9c(c8)CN([C@H]8CCC(=O)NC8=O)C9=O)CC7)CC6)CC5)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMMQTJCHWPNRW-PPOWZUQQSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCC[C@@](C)(O)C5)nc(OCC5(CN6CCC7(CC6)CC(N6CCN(c8ccc9c(c8)CN([C@H]8CCC(=O)NC8=O)C9=O)CC6)C7)CC5)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYWAZHEQFXIRD-UDJZXTMWSA-N", "SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCC[C@@](C)(O)C5)nc(OCC5(CN6CC(N7CCC(N8CCN(c9ccc%10c(c9)CN([C@H]9CCC(=O)NC9=O)C%10=O)CC8)CC7)C6)CC5)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL510763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIDZYQHBGZLHZ-ZIUUJSQJSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDBMMSIOFCVJDK-MGQBIDJDSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N(C)CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIUCDTMRYHCJBV-CQCRDEEPSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N(C)CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBAHTUHYOCBFOO-MGQBIDJDSA-N", "SMILES:CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMCHDMEBBYLRE-QGOOJWDASA-N", "SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)NCC(=O)N(C)CC(=O)N[C@H](C(N)=O)C(C)C)C(C)C)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGCARPBKJBVPQ-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1OCCCOc1cccc(-c2ccccc2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVCIYHDZZZNFKZ-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1OCCCCOc1cccc(-c2ccccc2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRMZTVKOQXSVAI-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZCYZSOFPGHTDL-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1OCCCCOc1ccc(-c2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFFHRPUFZWHRCE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2ccc(OCCCOc3c(N)nc(N)nc3CC)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSMKCZOAFOGBFW-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUNAQSYUMDINQG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(-c2ccc(OCCCCOc3c(N)nc(N)nc3CC)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZWPQLCJJXVPET-UHFFFAOYSA-N", "SMILES:CCc1nc(N)nc(N)c1OCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCONEFYGCDFYOM-POVNSLESSA-N", "SMILES:CC(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CO)C(N)=O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATPJZQHSTNYINS-NRPADANISA-N", "SMILES:CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMVFAPGBVXXLDL-FQEVSTJZSA-N", "SMILES:COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5566320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWJXGXQWZQVOOE-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(NCc3ccc(OC)c(OC)c3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5570068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPOWEYVUOJZLJJ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCc4cc(OC)c(OC)cc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLZMXDNJIPMUNC-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(NCCc3ccc(OC)c(OC)c3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWSWOVHOPOTZCG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(NCCc3ccc4c(c3)OCO4)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTAGEDRESJCVNE-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCc4ccccc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIKHMEVJFPMKFK-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCc4nc(Cl)ccc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IABAYUZWJXZJSF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCc4nc(C)sc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBZBBHZIGMQNLV-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccccc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHVQTCONFCXPMY-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CC4CC(C3)c3ccccc34)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYVYCCGLFOWCNQ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3Cc4ccccc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFFIODKFNZXKEP-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCC4(CCOCC4)C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALLZYHZKJODLFM-UHFFFAOYSA-N", "SMILES:CCCc1ccc(S(=O)(=O)Nc2nc(-c3cccc(OC)c3)cc(N3CCCc4ccccc4C3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGELULZKCXKYIL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccccc4C3)nc(NS(=O)(=O)c3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOTZNKZMNRTOU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccccc4C3)nc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTBMFSMMVUDBFM-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CC4CC(C3)c3ccccc34)nc(NS(=O)(=O)c3ccc(C)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNHKPUBXXZANJ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CC4CC(C3)c3ccccc34)nc(NS(=O)(=O)c3cccc(C)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVPPFJYPFXOVPB-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CC4CC(C3)c3ccccc34)nc(NS(=O)(=O)c3ccc(C)cc3C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFOVDLGXRZNHDA-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CC4CC(C3)c3ccccc34)nc(NS(=O)(=O)c3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LROBBUCUKIMOPH-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cc(N3CCCc4ccccc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEVJOUOZFQXSEW-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(OC(F)(F)F)c2)cc(N2CCCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGOYQENBICZTDI-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2cc(N3CCCc4ccccc4C3)nc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJQZKCCBBHFFJS-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(F)cc2)cc(N2CCCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDGSTOZJXXTDR-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Oc3ccccc3)cc2)cc(N2CCCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHNBTEPHJUYYGY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(OC3CCCCO3)cc2)cc(N2CCCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKDVLDCMOBUVRR-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccn2C2CCCCO2)cc(N2CCCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFCSWXYALKMIFC-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc3ccccc23)cc(N2CCCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNVUUEIDIKXJOY-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc3c(c2)CCO3)cc(N2CCCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTGOGXPLRRZCAG-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc3c(c2)OCCC3)cc(N2CCCc3ccccc3C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZBQJFDYPENMZ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccc(OCc5ccccc5)cc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYDDCIGTTVNFG-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4cc(F)ccc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEECPQPGMXGMMU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4c(cc(OC)cc4OC)C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUJBVPFBDJQSSN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4cc(F)c(F)cc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFHDMCAVUUFFDY-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCC(C)c4ccccc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWYVSNWHOVLILR-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(N)nc(N3CCCc4ccc(C)cc4C3)c2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HURGFHFWRCCKLJ-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccc(C)cc4C3)nc(OC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYCDVVDKXBADJI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccc(C)cc4C3)nc(SC)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLGRWXYOJGLLSI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccc(C)cc4C3)nc(S(C)(=O)=O)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTURLMADRKRAM-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccc(C)cc4C3)nc(C#N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBCFCOPLYWMNLY-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccc(C)cc4C3)nc(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDHHFHWLMHFPF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccc(C)cc4C3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHPRNSCBRQIBFL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccc(C)cc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIHBGGVKIJGEGI-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N3CCCc4ccc(F)cc4C3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGPDOQXNZPNNNT-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1OCCCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOPMXGBUHSVBRR-UHFFFAOYSA-N", "SMILES:O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYCUVFZLDDQNQU-RYOCPAHOSA-N", "SMILES:CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(=O)C=C5C4=C(CC[C@H]32)C(=O)N5CCO)O1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5597296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHFUBRLTXZVOQX-UHFFFAOYSA-N", "SMILES:CCCCCCNNC(=O)c1ccc(CNC(=O)CN2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBOVJOXWKCBGEJ-UHFFFAOYSA-N", "SMILES:CCCCCCN(NC(=O)c1ccc(CNC(=O)CN2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)cc1)C(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIYZFXFRRLEZBC-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2noc(-c3ccc(-c4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLEYNDQGNSOVJB-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccc2noc(-c3ccc(-c4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXIIUXDOMYICNR-UHFFFAOYSA-N", "SMILES:O=Cc1ccc2noc(-c3ccc(-c4ccccc4)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHZGJEQBBFGROU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)C1(CCN(Cc3ccc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMFPWSXMZWAQOM-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)C1(CCN(Cc3ccc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXBOHBFXBZXNRS-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)C1(CCN(Cc3ccc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIIQRNVOLLPPLD-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMXLVHBSFKXTKF-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHIMCTDMTIPYEN-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)cc3)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYJOVUBSVXGMV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)cc3)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQCKFQQMAZUKJ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C2(CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cc(C(=O)O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZKCQEAQCVKSAR-HHCCDPJTSA-N", "SMILES:O=C(O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLFXWCRPQTXGCK-NXHRWCDGSA-N", "SMILES:COC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQUAMCYUPRLDH-LDTOLXSISA-N", "SMILES:CC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKUOVFHYUAOOI-XVDXERDNSA-N", "SMILES:O=Cc1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAMZLUVAMOZXSK-XVDXERDNSA-N", "SMILES:O=C1Nc2ccc(CO)cc2[C@]12CC[C@H](Oc1ncc(Cl)cc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSGZQBYHUFFMIZ-HHCCDPJTSA-N", "SMILES:NC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOPVPEJPRXHJMF-NXHRWCDGSA-N", "SMILES:CNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGCSBPISYBWSRP-QCKZDCLWSA-N", "SMILES:CN(C)C(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTSMJVZAHTXTCB-QCKZDCLWSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSBUWWPRZBFKAJ-FVUUGDKNSA-N", "SMILES:CCCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLDHQEZGEQNXRU-PAVFIEEWSA-N", "SMILES:CCCCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKDCGDMZXCQYMO-FVUUGDKNSA-N", "SMILES:CC(C)NC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZNUQVWQYKUIFK-GUJKFWMDSA-N", "SMILES:CC(C)(C)NC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRFAPMQCDMISHF-PAVFIEEWSA-N", "SMILES:CC(C)CNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZNOLTMAQMIPJZ-FVUUGDKNSA-N", "SMILES:O=C(NC1CC1)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBLWVHCBQFRTNM-PAVFIEEWSA-N", "SMILES:O=C(NC1CCC1)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTBZIJXXZTZEF-VLZXCDOPSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDKJCWYOQNQBJP-FVUUGDKNSA-N", "SMILES:COCCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEANAKYGYHYPQX-HHCCDPJTSA-N", "SMILES:O=C1Nc2ccc(-c3nnn[nH]3)cc2[C@]12CC[C@H](Oc1ncc(Cl)cc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQVJDCNXTFIOBO-YMHNVTQSSA-N", "SMILES:O=C1Nc2ccc(C3=NO[S+]([O-])N3)cc2[C@]12CC[C@H](Oc1ncc(Cl)cc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQJWPNCMOPKFJ-KWUMSVIQSA-N", "SMILES:O=c1[nH]c(-c2ccc3c(c2)[C@]2(CC[C@H](Oc4ncc(Cl)cc4Cl)CC2)C(=O)N3)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUULOELQGDHOLO-KWUMSVIQSA-N", "SMILES:O=C1Nc2ccc(-c3noc(=S)[nH]3)cc2[C@]12CC[C@H](Oc1ncc(Cl)cc1Cl)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYSFSXKVCJSRKM-NXHRWCDGSA-N", "SMILES:CONC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSSYSDVRNRTXBQ-QCKZDCLWSA-N", "SMILES:N#CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIEQSZGWUNJQKA-NXHRWCDGSA-N", "SMILES:O=C(NCC(F)(F)F)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWQIZMWWEMCYDD-NXHRWCDGSA-N", "SMILES:N#CNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFIPHFYYXHLTMM-NXHRWCDGSA-N", "SMILES:CS(=O)(=O)NC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEGSCYATAWYHLB-XLOAEROZSA-N", "SMILES:O=C(NS(=O)(=O)C1CC1)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXFUGZBFLFXJSY-GUJKFWMDSA-N", "SMILES:CC(C)(C)S(=O)(=O)NC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOJWBMOIAVGXTA-CKQQTVSASA-N", "SMILES:O=C(NS(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWGHFKFURFQEL-FVUUGDKNSA-N", "SMILES:CC(=O)CNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBPKYXAMPJYBIZ-PAVFIEEWSA-N", "SMILES:CC(=O)CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUDAKLNUYZTSFP-PAVFIEEWSA-N", "SMILES:COCCCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRFBWGPSQJGPLS-GGYDESQDSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ccccn3)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNAJZQNUGYBPMR-QCKZDCLWSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncccc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMCHYPQHTWNPPY-GGYDESQDSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ccc(Cl)cn3)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVALWTPYMJOSSU-MIRVZWSXSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncccc3C#N)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHWIKDQAXYSQJ-MIRVZWSXSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ccc(C#N)cn3)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSAKNVWNWKQYBD-LBEPJEHYSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(C#N)cc3C#N)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDVHNWSJDOACHC-MIRVZWSXSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3C#N)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFCPUOLKXCBCJL-FVUUGDKNSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(C#N)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCDVEXWIFOFQLI-QCKZDCLWSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(F)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGIHWGHLOPAMQX-QCKZDCLWSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3F)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFDILAXQJLVZRM-QCKZDCLWSA-N", "SMILES:CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(F)cc3F)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGJACBCGAWBJAV-MUWWLHTESA-N", "SMILES:O=C(O)c1ccc2c(n1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWRBYQWERBHROV-MUWWLHTESA-N", "SMILES:NC(=O)c1ccc2c(n1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSLVORNGHYNSGW-BXHXUVEDSA-N", "SMILES:CNC(=O)c1ccc2c(n1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSMQZMKCYMMKO-KWUMSVIQSA-N", "SMILES:CCNC(=O)c1ccc2c(n1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNYCACWVHNAPSQ-NTDHXHIGSA-N", "SMILES:O=C(O)c1cc2c(cc1F)NC(=O)[C@]21CC[C@@H](Oc2ncc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZONIMUBBVXHJJG-NTDHXHIGSA-N", "SMILES:NC(=O)c1cc2c(cc1F)NC(=O)[C@]21CC[C@@H](Oc2ncc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYFZWLBCUBOGBZ-UZKDLZAESA-N", "SMILES:CCNC(=O)c1cc2c(cc1F)NC(=O)[C@]21CC[C@@H](Oc2ncc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNBAFSTXXHIWKG-NTDHXHIGSA-N", "SMILES:O=C(O)c1ccc2c(c1F)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGIMBGZGUTRQK-NTDHXHIGSA-N", "SMILES:NC(=O)c1ccc2c(c1F)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJZTYXMSFIOZDS-UZKDLZAESA-N", "SMILES:CCNC(=O)c1ccc2c(c1F)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVQODKWBAMSPAQ-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHFLIDBMUZLMSP-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(-c2ccc(C(=O)O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDZYJHRBAVIMAQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2ncsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IONMVEGDQWHOAA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJAFHZWYBMPHF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2[nH]ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNKNUHNVILYCY-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2ccsc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNSYKXJWDIINTF-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2sccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKGVLGLUAHVJET-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2ccoc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLRTHVIDGSNOQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNKNNAXHWUUNN-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(c(-c3ccc(C(=O)O)c(O)c3)c1)OCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXMDDHKMAJBBQQ-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(c(-c3ccc(C(=O)O)c(O)c3)c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQEJVMNRRSANFM-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)cc2)c2occc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDPUTMAHZLBSLP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cc(C(F)(F)F)cc3ccoc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGWAXTKFKUMRKZ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2occ(C(F)(F)F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAGZTJGKUKDRDE-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(C(F)(F)F)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOARHEAWEGHBJL-UHFFFAOYSA-N", "SMILES:Cc1cc2cc(C#N)cc(-c3ccc(C(=O)O)c(O)c3)c2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJSLOKWGRCPOMW-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(Cl)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBWLCOGQAODFLX-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(F)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYETYAQRTHMTGX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C#N)cc3ccoc23)ccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELHYNDDVAXGPC-IGKFWHKDSA-N", "SMILES:CC1(C)CC[C@@H](OC(=O)/C=C/c2ccccc2)C2C(C=O)C(C=O)C[C@H](O)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUPXGPYMXKOAMH-UHFFFAOYSA-N", "SMILES:Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJSRZVBACFTKRF-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C(=O)NCC5CC5)nn(C)c4COc4ccccc4)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHHBCRJJNCEIK-UHFFFAOYSA-N", "SMILES:COc1ccccc1OCc1c(-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)[nH]c23)c(C(=O)NCC2CC2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGIXGOIWKOBGA-UHFFFAOYSA-N", "SMILES:COc1cccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)NCC3CC3)nn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXINAFKPRVVRBF-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)NCC3CC3)nn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXNWNTAGNDQWEG-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C(=O)NCC5CC5)nn(C)c4COc4ccc(OC(F)(F)F)cc4)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCSWZGGSCSPFR-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C(=O)NCC5CC5)nn(C)c4COc4ccc(C=O)cc4)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNEHFVDLQAIVOV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(ccn2Cc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)NCC3CC3)nn2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUFPNABWMWXBPG-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C(=O)NCC5CC5)nn(C)c4Cn4cc(C)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHWKCTRGCSDJAH-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C(=O)NCC5CC5)nn(C)c4Cn4cc(CCNC(=O)OC(C)(C)C)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRVWLECDTZMWBN-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)NCC3CCOCC3)nn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEMBIZDEFGQOSK-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C)C(=O)c2nn(C)c(COc3ccc(OC)cc3)c2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)[nH]c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDMWMFDUBJRTGB-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)NC3CCOCC3)nn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBHAWKOSROGMI-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)Nc3ccccc3F)nn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCRSJDFSXXPSRG-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)N(C)CCNC(=O)OC(C)(C)C)nn2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2314193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQKXEZIKGBCCDX-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)[nH]c3ccccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3417694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFODCXXHTZVRJL-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJVYAGUIMISSK-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4CN(C)c4ccccc4)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITPTVDWUVKAQRO-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4Cn4ccc5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WROHTTVJSHLXGG-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4ccc5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMCVHNMOZCUXFE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(C)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQAHZDYOJTUBEA-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4ccc5c(C)cccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJFNJZNTBKJMDY-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(ccn2Cc2ccccc2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)n(CCN4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUXHRPJXRJBUGG-UHFFFAOYSA-N", "SMILES:COc1cccc2c1ccn2Cc1ccccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)O)n(CCN3CCOCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQWZKCYTJREQLW-UHFFFAOYSA-N", "SMILES:COc1ccc2c(ccn2Cc2ccccc2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)n(CCN4CCOCC4)c23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTBKDGIXQCTFPU-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNCC(N)=O)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNMJTYYHMYGYEQ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)CC(F)(F)F)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRORPUXBAUTXCS-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)CCC(F)(F)F)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUBUDLQXUGOAZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCc1cn(Cc2ccccc2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)n(CCN4CCOCC4)c23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKHCYTPOKJPNBJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccc(F)cc5)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGNTHQCPUHUNQ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccc(Cl)cc5)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNEOUBBJRCDTCE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccc(Br)cc5)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBVCCCHFNKHZGF-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccccc5Br)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FALCBCXLLDBIKA-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5cccc(Br)c5)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRBVXAXYLJPFS-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccc(OC(F)(F)F)cc5)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZWDBANRRANWBB-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccc(C=O)cc5)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPQRTVIDQJUILE-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccncn5)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVKLRQFCMOUTNQ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccoc5)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRVXMIHRJFKID-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(=O)NCCc1cn(Cc2ccccc2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)n(CCN4CCOCC4)c23)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKJOMQUMGXGOOJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccccc5C(F)(F)F)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLBVFDVEXVZRPB-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccncc5F)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDFBNXTWGAZACO-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5c(C)cccc5F)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYMPDAJHEBXNEC-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNS(=O)(=O)c5ccc(F)cc5)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULWOGXVITYJIMJ-UHFFFAOYSA-N", "SMILES:Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCN(CCN5CCOCC5)S(=O)(=O)c5ccc(F)cc5)c5ccccc54)cccc23)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUQMLSGOTNKJKI-ZRUFSTJUSA-N", "SMILES:CN1CCN(C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@@H]2O3)CC1"]}
{"name": "Tissue factor pathway inhibitor 2", "xref": ["CHEMBL.TARGET:CHEMBL6066240"], "id": "UniProtKB:P48307", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCKNXOKKMBZEHV-ZRUFSTJUSA-N", "SMILES:O=C(NC1CCCC1)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHGYXCDAGPVLMZ-ZRUFSTJUSA-N", "SMILES:O=CN1CCN(C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@@H]2O3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAEGDSIKUXAXFM-RFQIPJPRSA-N", "SMILES:O=C(O)[C@H]1[C@@H](C(=O)N2Cc3ccccc3C2)[C@@H]2CC[C@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCGAVEFUQNHVGP-HKGGRFLBSA-N", "SMILES:CC1c2ccccc2CN1C(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL428650", "category": ["biolink:ChemicalEntity"], "name": "ENDOTHALL", "xref": ["InChIKey:GXEKYRXVRROBEV-FBXFSONDSA-N", "SMILES:O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5597115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOLAARULBWFHFB-XAVMHZPKSA-N", "SMILES:O=C(O)[C@@H]1[C@H](C(=O)N2CCC2)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHHKCLDIMQQWTE-RGOKHQFPSA-N", "SMILES:O=C(O)[C@@H]1[C@H](C(=O)N2CC=CC2)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQJTVMMIYKOCSX-QXSJWSMHSA-N", "SMILES:O=C(O)[C@@H]1[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHQBABCGBNNLDR-RQJABVFESA-N", "SMILES:O=C(O)[C@@H]1[C@H](C(=O)N2CCc3ccccc32)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZVHQCVKMCBKRP-RQJABVFESA-N", "SMILES:O=C(O)[C@@H]1[C@H](C(=O)n2ccc3ccccc32)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGTKYJTXRDSYHZ-XDNAFOTISA-N", "SMILES:O=C(O)[C@@H]1[C@H](C(=O)n2c3ccccc3c3ccccc32)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGQSHNCMBWOFV-XQHKEYJVSA-N", "SMILES:O=C(O)[C@@H]1[C@H](C(=O)n2ncc3ccccc32)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUIIOOMDRXOVGK-BARDWOONSA-N", "SMILES:Cc1cn(C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2O3)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBJYODPXKHJNKB-BARDWOONSA-N", "SMILES:Cc1ccc2c(ccn2C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2O3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJZIENHQSGIRHG-RQJABVFESA-N", "SMILES:O=C(O)[C@@H]1[C@H](C(=O)n2ccc3cc(F)ccc32)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGSUDXBZYJOSML-BARDWOONSA-N", "SMILES:COc1ccc2c(ccn2C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2O3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROSQCRBHAWFCGD-TWMKSMIVSA-N", "SMILES:CC(C)Oc1ccc2c(ccn2C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2O3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IATHKCMFRWBVDC-BARDWOONSA-N", "SMILES:COc1ccc2ccn(C(=O)[C@H]3[C@@H](C(=O)O)[C@@H]4CC[C@H]3O4)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJTREUZFYALIRW-KOZAUXTDSA-N", "SMILES:COc1cc2ccn(C(=O)[C@H]3[C@@H](C(=O)O)[C@@H]4CC[C@H]3O4)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAEKJBVURFLRDF-BVIHXZOGSA-N", "SMILES:O=C(O)[C@@H]1[C@H](C(=O)n2ccc3cc4c(cc32)OCO4)[C@H]2CC[C@@H]1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108308", "category": ["biolink:ChemicalEntity"], "name": "NODULARIN", "xref": ["InChIKey:IXBQSRWSVIBXNC-HSKGSTCASA-N", "SMILES:C/C=C1/C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL122270", "category": ["biolink:ChemicalEntity"], "name": "LOBELINE", "xref": ["InChIKey:MXYUKLILVYORSK-HBMCJLEFSA-N", "SMILES:CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1"], "synonym": ["Lobeline", "Lobelina", "(-)-lobeline", ".alpha.-lobeline", "Alpha-lobeline", "Inflatine", "Lobeline", "Lobelinum", "NSC-757421"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5598274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPFOTNMPWHCKHD-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2c[nH]cn2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXIMTXNLSVSNID-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2nc[nH]c2Br)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYLQOHRGXSPMPT-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2nc(Br)[nH]c2Br)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILCLRSYSURLUSE-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2nc(Br)[nH]c2Br)c2nc(Br)[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTWIYZGXLMTRHE-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1Nc1nc(Nc3ccccc3S(=O)(=O)C(C)C)c3[nH]ccc3n1)N(C(=O)CN(C)C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314412", "category": ["biolink:ChemicalEntity"], "name": "ZOTIZALKIB", "xref": ["InChIKey:ILAMRXVQSGVCJX-AWEZNQCLSA-N", "SMILES:CC1(C)COc2ccc(F)cc2CN2c3nc4c(cnn4cc3OC[C@H]2C(F)F)C(=O)N1"], "synonym": ["Zotizalkib", "Zotizalkib", "Zotizalkib", "Tpx 0131", "Tpx-0131", "Zotizalkib", "TPX-0131", "TPX0131"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314497", "category": ["biolink:ChemicalEntity"], "name": "ZIDESAMTINIB", "xref": ["InChIKey:DTWUUAFTYSMNQX-GFCCVEGCSA-N", "SMILES:CCn1ncc2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1nn(C)nc1C2"], "synonym": ["Zidesamtinib", "Zidesamtinib", "Zidesamtinib", "Nvl-520", "NU-0002362", "NU-0002362-006", "NU-0002362-009", "NU-2362-010", "NU-520", "NUV-520", "NVL-520", "Zidesamtinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4294743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLWGBZNXIVAKC-YOCNBXQISA-N", "SMILES:CCC(=O)N[C@H]1CC[C@H](N2C(=O)N(c3ccccc3Cl)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZRNZXPMNJNRPE-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)S(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJMLHLTVDMXQCW-UHFFFAOYSA-N", "SMILES:COc1cc(C2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKTDBVXKCUWLIX-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRTULLUVVJRZKH-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)cc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNVFBEZKIQPVJI-OUKQBFOZSA-N", "SMILES:CN(C)CCCn1c(SCc2ccc(/C=C/C(=O)NO)cc2)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXXILUSATOQNRG-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZNKVFJLWZGOFG-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL443692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFJBGLBYMSLGML-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCYCTDMQSTYSLJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Oc1cncc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBKPOIMSNKOYFA-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL451434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGTQFCDVHCNJNV-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIXQHURPUVBNCZ-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Oc2cncc(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAGVBXAAVAMIQX-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cccc(-c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL467960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMNMSLCDLMBPHF-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLXHMZDATSPDMW-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHFNTONXJYFXGQ-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(I)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRSOERFINQXWJJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Oc2cncc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVVCEUBTNYCUBJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Oc2cncc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL466532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYQUSBCASTURRZ-UHFFFAOYSA-N", "SMILES:CNc1ccc(C(=O)Oc2cncc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHPRFZHIVZXHA-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Oc2cncc(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL511584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCIRKVWUDZUJTF-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYYDDFYJLRUJMT-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(-c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPBZXVWMUKRXHT-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cccc(Cl)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXCERDXUHAIMS-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVUUEPNPBINECW-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGRWLJBJSPDTOS-UHFFFAOYSA-N", "SMILES:Cc1cc(Cl)ccc1C(=O)Oc1cncc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZWJNHNFNKVLMN-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITLCVFMGAKWXSD-UHFFFAOYSA-N", "SMILES:COc1c(Cl)ccc(C(=O)Oc2cncc(Cl)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCUFOTYYNFKNFM-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(Br)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPQDEQPRAMXJC-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBEGWWZAAAJJTM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(C(=O)Oc2cncc(Cl)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZLWOCVNTNMLKO-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Oc2cncc(Cl)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPTCFQSFRDOBIJ-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccc(OCc2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYKBAYGPOGKYHQ-UHFFFAOYSA-N", "SMILES:Nc1ccc(C(=O)Oc2cncc(Cl)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGMWMYXMHAWZHS-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1C(=O)Oc1cncc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJDDGSWJWMWWTB-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Oc2cncc(Cl)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWVKFKACGJROLS-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Oc2cncc(Cl)c2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVUWQXYUNMIDPY-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Oc2cncc(Cl)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWYQEIFHRUKWQF-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCNNMUASRUVWPZ-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cc(Cl)cc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBQZJJXFODWHCE-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1c(F)cccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXRHVSFTQKNFPK-UHFFFAOYSA-N", "SMILES:COc1ccc(F)c(C(=O)Oc2cncc(Cl)c2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYYUOVOBKMJPH-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBZVDJPBKQUOJV-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFTGEFQQVKCYNX-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMEIDHKXHONFHL-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSXRBTGQJWXAET-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Oc2cncc(Br)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDOQULAQBJFFCZ-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXBLULQCYFLIBI-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Oc2cncc(Br)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLCPKRPVUSSLPP-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLQUJSOSCRTTP-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODOMFOVSYOGFPZ-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUUYWKRGHYDCC-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1ccc(I)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBSLWBSMOSTKGC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)Oc2cncc(Br)c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQKOWVUCDCEMOJ-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Br)c1)c1ccc(OCc2ccccc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSPGMOZRNQAQD-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Oc2cncc(Br)c2)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL252660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSVVAZBFAERQJ-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL254103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPNJVAWFLHUGI-UHFFFAOYSA-N", "SMILES:O=C(Oc1cncc(Cl)c1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFQZPPOUNGRBJ-ASBYGICWSA-N", "SMILES:Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N4CCC[C@H]4C(=O)NCC(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)nc(C)c3c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYFOOAXDCVZERG-OSLWOPQNSA-N", "SMILES:COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(=O)CCCc1cn(CC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUHEPQZZNZLMR-IMUYFLSXSA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CCOCCOCCN1CCN(C/C=C/C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXMGUURHMBFQCA-XBMBVIPASA-N", "SMILES:N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCCCCN1CCN(S(=O)(=O)c2ccc(NC(=S)NCc3cccnc3)cc2)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQRIAAFLHSDGDT-JYHDLQBJSA-N", "SMILES:O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H]2CC3CCCCC3N2[C@]12C(=O)Nc1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXUMHPIKLWBMN-HQLDUVTQSA-N", "SMILES:O=C(c1ccccc1[N+](=O)[O-])[C@H]1[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H]2CC3CCCCC3N2[C@]12C(=O)Nc1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYXCRXWAOUTNAG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1[N+](=O)[O-])NCc1cn(-c2cc3ccccc3oc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMOOKUXTICBQOK-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1[N+](=O)[O-])OCc1cn(-c2cc3ccccc3oc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMVLTWDWQRXPPJ-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)OCc2cn(-c3cc4ccccc4oc3=O)nn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOHWXBYGYNTTG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRUIETKMEQTOKD-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHSCASMKWRGOJO-RIYZIHGNSA-N", "SMILES:COc1cc(/C=C/C(=O)NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQCHYMVNARBTQ-UHFFFAOYSA-N", "SMILES:O=C(OCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSWJYKSHPPSNHX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1[N+](=O)[O-])OCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOAIEMGCPOVLJS-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)OCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWVPVLJRIQJDRR-RIYZIHGNSA-N", "SMILES:COc1cc(/C=C/C(=O)OCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHCVKQZTLMYWBL-VQHVLOKHSA-N", "SMILES:COc1cc(/C=C/C(=O)NCc2cn(-c3cc4ccccc4oc3=O)nn2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCABMPDQXZIWHX-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)cc3)nc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBUQBYVBIMRYOZ-UHFFFAOYSA-N", "SMILES:C#CCNc1ccccc1-c1cc(-c2ccc(OCCN3CCCCC3)cc2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3754399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSJBXADTPZCWQJ-UHFFFAOYSA-N", "SMILES:N#Cc1cccnc1N1CCN(c2cc(Oc3cccc4cccnc34)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVKVOCITZUISRV-UHFFFAOYSA-N", "SMILES:C#CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVJFEEOQPRGNAP-SSZFMOIBSA-N", "SMILES:C#CCOc1cccc(-c2cc(/C(C)=C\\c3ccccc3)nc(N)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKZJSCSXOHRTC-VAWYXSNFSA-N", "SMILES:C#CCOc1cccc(-c2cc(/C=C/c3ccccc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDLYQSPNWJWAU-VKAVYKQESA-N", "SMILES:C#CCOc1ccc(-c2cc(/C(C)=C\\c3ccccc3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBLQMEYOFYSOAL-FLIBITNWSA-N", "SMILES:C#CCOc1ccc(-c2cc(/C=C\\c3ccccc3)ncn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEGRKLPHJNYSLE-DHZHZOJOSA-N", "SMILES:C#CCOc1ccc(-c2cc(/C=C/c3ccccc3)nc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNACDYHHQDGLI-PKNBQFBNSA-N", "SMILES:C#CCOc1ccc(-c2cc(/C=C/c3ccccc3)nc(N)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXICIFKOILXLCS-JQIJEIRASA-N", "SMILES:C#CCOc1ccc(-c2cc(/C(C)=C/c3ccccc3)nc(N)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHZQXBRLCFWMKW-DTQAZKPQSA-N", "SMILES:C#CCOc1ccc(-c2cc(/C=C/c3ccccc3)nc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRHXAZUAPANIGW-WUKNDPDISA-N", "SMILES:C#CCOc1cccc(-c2cc(/C=C/c3ccccc3)nc(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBIQXKKXXPFYLN-ISLYRVAYSA-N", "SMILES:C#CCOc1ccccc1-c1cc(/C=C/c2ccccc2)nc(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBLSYDLSKBIGAV-OUKQBFOZSA-N", "SMILES:C#CCOc1cccc(-c2cc(/C=C/c3ccccc3)nc(C)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLPNOMNLSVNNPR-FMIVXFBMSA-N", "SMILES:C#CCOc1ccc(-c2cc(/C=C/c3ccccc3)nc(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNHFUGKUZYYWBV-ZRDIBKRKSA-N", "SMILES:C#CCOc1ccc(-c2cc(/C=C/c3ccccc3)nc(C)n2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZLIJEMOHOLJIY-BMRADRMJSA-N", "SMILES:C#CCOc1ccc(-c2cc(/C(C)=C/c3ccccc3)nc(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHMAORMWNMQMAF-GHRIWEEISA-N", "SMILES:C#CCOc1cccc(-c2cc(/C(C)=C/c3ccccc3)ncn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUHVUKUYUMHMBV-QBVZLTIOSA-N", "SMILES:C=C1CC[C@H]2C(=C)CC[C@H]3C(CN(CCNS(=O)(=O)c4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(C(F)(F)F)cc4)C(=O)O[C@@H]3[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZLLSBHPQYLGLH-NKELODKYSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2CC3CC3[C@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZLLSBHPQYLGLH-YTQUADARSA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2C[C@@H]3C[C@@H]3[C@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNNGURVIOIZXRF-IBGZPJMESA-N", "SMILES:O=c1cc(N2CCOCC2)cc(N2CCCCC[C@H]2Cc2ccccc2)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVFIHIWNXSZYOH-DOTOQJQBSA-N", "SMILES:C[C@H]1CCN(c2nc(N3CCOCC3)cc(=O)[nH]2)[C@@H]1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSHQVCFIYASUHT-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(-n3cc(-c4ccccn4)nc3N)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBNZDAFYCKBXCS-UHFFFAOYSA-N", "SMILES:C=C1C(=O)OCC1C(=O)N1Cc2cc3ccccc3nc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGAAOKXUCALAPY-UHFFFAOYSA-N", "SMILES:Cn1c(=O)n(C(C)(C)C#N)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL74689", "category": ["biolink:ChemicalEntity"], "name": "PHENYL(METHYL)THIOSEMICARBAZONE", "xref": ["InChIKey:JMULZUQMMLAALR-YRNVUSSQSA-N", "SMILES:C/C(=N\\N=C(/N)S)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBOMIBNEKCISGH-WUXMJOGZSA-N", "SMILES:C/C(=N\\NC(N)=S)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUGUHVXLDMZQTO-ZCXUNETKSA-N", "SMILES:COc1ccc(S(=O)(=O)NC2=CC(=O)/C(=C3/C(=O)Nc4ccc(Cl)cc43)S2)cc1"]}
{"name": "RNA N6-adenosine-methyltransferase METTL16", "synonym": ["RNA N(6)-adenosine-methyltransferase METTL16"], "xref": ["CHEMBL.TARGET:CHEMBL5465326"], "id": "UniProtKB:Q86W50", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWYQXGPPCVKHLL-MSUUIHNZSA-N", "SMILES:O=C1C=C(NS(=O)(=O)c2ccc(C(=O)O)cc2)S/C1=C1\\C(=O)Nc2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXLLDOTDHAJNH-ZCXUNETKSA-N", "SMILES:COc1ccc(S(=O)(=O)NC2=CC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKWZEWZMRIOFOV-HNENSFHCSA-N", "SMILES:COc1ccc(S(=O)(=O)NC2=CC(=O)/C(=C3/C(=O)N(C)c4ccc(Br)cc43)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQATTGEILRDNJ-HNENSFHCSA-N", "SMILES:COc1ccc(S(=O)(=O)NC2=CC(=O)/C(=C3/C(=O)Nc4ccc(C)cc43)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGFHMXAIOUZLLD-HNENSFHCSA-N", "SMILES:COc1ccc(S(=O)(=O)NC2=CC(=O)/C(=C3/C(=O)N(C)c4ccc([N+](=O)[O-])cc43)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLKPSRVTSTUKSS-YBFXNURJSA-N", "SMILES:COc1ccc(S(=O)(=O)NC2=CC(=O)/C(=C\\c3cc4ccccc4[nH]3)S2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCBVCVDXBJIMPB-MSUUIHNZSA-N", "SMILES:O=C1C=C(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)S/C1=C1\\C(=O)Nc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGYARDBEXHGLRE-FQEVSTJZSA-N", "SMILES:CC(=O)Oc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@H]31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HANCYOQEEPURIU-HZTORBOASA-N", "SMILES:CC(=O)Oc1ccc2c(c1)c1c(n2Cc2cn(CCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)C2N(CC1)C(=O)c1ccccc1N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFCXRFFKQJUEMG-NJVGLYJLSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJWARSQRDRDDGM-ZVOVDXHFSA-N", "SMILES:CC(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSCUUKCJCLIQQJ-KDLAUNOPSA-N", "SMILES:COC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGINEIWOBPOXNL-VQGKEWTASA-N", "SMILES:O=C(OCc1ccccc1)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMVPZFWFYHHDRL-OYYXRSNLSA-N", "SMILES:O=C(Oc1ccccc1)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZIPJTMFYQOYEF-AQGBOPFGSA-N", "SMILES:O=C(c1ccccc1)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIUQKFDJAVZFM-NJVGLYJLSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDQILTKRWKVGQT-YDLGPDHBSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLMRNAOZDNRUSQ-NJVGLYJLSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKMHIYMGZMKIFU-NJVGLYJLSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPPURSNPMUWVNF-NJVGLYJLSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1cc(Br)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXRWPWQWZRCYJA-NJVGLYJLSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccc(I)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZXZGEBYKHUIKE-NJVGLYJLSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDDATYUEPXHVTO-FJZVYHFZSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1cc(F)c(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNFHEJIPXUDIRP-AHPZTNMXSA-N", "SMILES:Cc1ccc2c(c1)[C@]1(C=C[C@H](N=C=S)C[C@H]1C(=O)OC(C)(C)C)C(=O)N2C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGTBQGASSXHDDJ-FGJOCGMUSA-N", "SMILES:COc1ccc2c(c1)[C@]1(C=C[C@H](N=C=S)C[C@H]1C(=O)OC(C)(C)C)C(=O)N2C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLWOISTTYHWUCF-UBWGWPMISA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)N(C(=O)OCC1c3ccccc3-c3ccccc31)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCCAYPVZWZEET-YHQOMNDMSA-N", "SMILES:COC(=O)N1C(=O)[C@@]2(C=C[C@H](N=C=S)C[C@H]2C(=O)OC(C)(C)C)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDVXSIXEQDAVPA-GJDOKZOISA-N", "SMILES:CC1=C[C@@]2(C(=O)N(C(=O)OCc3ccccc3)c3ccccc32)[C@H](C(=O)OC(C)(C)C)C[C@@]1(C)N=C=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUCWBJAIFLMACN-IFDYJGHISA-N", "SMILES:CCC1=C[C@@]2(C(=O)N(C(=O)OCc3ccccc3)c3ccccc32)[C@H](C(=O)OC(C)(C)C)C[C@@]1(CC)N=C=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENFKCCOSTXCAJ-TYPXCFOJSA-N", "SMILES:CC1=C[C@@]2(C(=O)N(C(=O)OCc3ccccc3)c3ccccc32)[C@H](C(=O)OC(C)(C)C)C[C@H]1N=C=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBQXMDXCGHJTEF-CWAYLNQUSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=S)Nc2ccccc2)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDKNPABQLHWHQ-YDLGPDHBSA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=S)NN)C=C[C@@]12C(=O)N(C(=O)OCc1ccccc1)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQTASNFDIKOZRY-LCMPSIMXSA-N", "SMILES:COc1ccc2c(c1)[C@]1(C=C[C@H](N=C=S)C[C@H]1C(=O)OC(C)(C)C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGTBQGASSXHDDJ-RPAZBDDQSA-N", "SMILES:COc1ccc2c(c1)[C@@]1(C=C[C@@H](N=C=S)C[C@@H]1C(=O)OC(C)(C)C)C(=O)N2C(=O)OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGTBQGASSXHDDJ-IMXIINTDSA-N", "SMILES:COc1ccc2c(c1)[C@]1(C=C[C@@H](N=C=S)C[C@H]1C(=O)OC(C)(C)C)C(=O)N2C(=O)OCc1ccccc1"]}
{"name": "Caspase-3", "xref": ["CHEMBL.TARGET:CHEMBL5632"], "id": "UniProtKB:P70677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Caspase-7", "xref": ["CHEMBL.TARGET:CHEMBL6066205"], "id": "UniProtKB:P97864", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXRPTQDKQJZNMQ-JCUJTHRISA-N", "SMILES:CC(C)(C)OC(=O)[C@@H]1C[C@@H](N=C=S)C=C[C@@]12C(=O)Nc1ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc12"]}
{"name": "NFU1 iron-sulfur cluster scaffold homolog, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066448"], "id": "UniProtKB:Q9QZ23", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Thioredoxin", "xref": ["CHEMBL.TARGET:CHEMBL6067621"], "id": "UniProtKB:P10639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXSQZUBXVHFTQO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1nnc(NC(=O)CCCC(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL88115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEHPJMWKEUDKJE-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1nnc(NC(=O)CCC(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSGQDKJYZMTISQ-UHFFFAOYSA-N", "SMILES:CC(=O)N(Cc1cn(-c2ccccc2)nn1)c1nnc(S(N)(=O)=O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUOIBIZGQJOVAR-UJWQCDCRSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](n2cc(CN(C(C)=O)c3nnc(S(N)(=O)=O)s3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZIQCLLBUNFIMX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(N)c(-c4cnn(C)c4)c3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRDGUUSPQVOOO-UHFFFAOYSA-N", "SMILES:CCn1cc(-c2c(N)nn3ccc(-c4cnc(OC)c(OC)c4)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URSIUFOVWICYIY-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(N)c(-c4cnn(C(C)C)c4)c3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNCXYRRIKXUUBE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(N)c(-c4cn(C)nc4C)c3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBXCWNMTBOZTBG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(N)c(-c4cnn(C(F)F)c4)c3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZTWKZXISXOASO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(N)c(-c4cnn(CC(F)F)c4)c3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBYSXNKZTPYYPM-UHFFFAOYSA-N", "SMILES:COCCn1cc(-c2c(N)nn3ccc(-c4cnc(OC)c(OC)c4)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRWUQSVWSWEGLW-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(N)c(-c4cncs4)c3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMHBOXYBKXAMA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(N)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEQQEYDMPHYABB-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(NC(=O)NCCOc4ccccc4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRLZQIIOZUOUHZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(NC(=O)NCCOc4ccccc4)c(-c4cnn(C)c4)c3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLXBXWCMJQLPHD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTSSZLURDMBMPC-UHFFFAOYSA-N", "SMILES:CCOCCNC(=O)Nc1cc2nc(-c3cnc(OC)c(OC)c3)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRXLXOVZGMTILX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(NC(=O)NCCOC(C)C)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCQPOVDRJDMKAO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(NC(=O)NCCOCC4CC4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBCNWDQUEDROIU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(NC(=O)NCCN4CCOCC4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZJINVDMFAFNI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3nc(NC(=O)NCCOc4cccnc4)nn3c2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEZJZRDUSAWOET-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)nc3c2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZKFGLSKAKKBBZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3nc(NC(=O)NCCOc4cccnc4)cn3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBPCYHFIQZVIRM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc3[nH]c(NC(=O)NCCOc4cccnc4)nc3c2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGOADLIMIODLBG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXOXOIYBVUEPFR-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAELUCQBHSZYDV-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1OC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHSDGGCWVUVGJM-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1NS(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTUSRUVCAKSWKO-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUUJMGODVLGFKM-UHFFFAOYSA-N", "SMILES:Cc1cncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTDBHUQZOIPJKE-UHFFFAOYSA-N", "SMILES:O=C(NCCOc1cccnc1)Nc1cc2cc(-c3cncc(F)c3)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJIZLMDWRRLKJV-UHFFFAOYSA-N", "SMILES:O=C(NCCOc1cccnc1)Nc1cc2cc(-c3cncc(OC(F)F)c3)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFIVDWZOZZKRLA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLJITFJDGPXSHP-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)nc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHLCCIHAYVRUQL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(N)c(-c4ccoc4)c3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLFORPUADGKUMV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(NC(=O)CCCOc4ccccc4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZWJFVUSBRDDSV-UHFFFAOYSA-N", "SMILES:COCCNC(=O)Nc1cc2nc(-c3cnc(OC)c(OC)c3)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAZGJQAKGVIDTE-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTGOBYAMGRVHH-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMENQCHAGAXAKH-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1OC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUMFCSAUWDRNBV-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cnc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDNNRCYXZQIVFJ-UHFFFAOYSA-N", "SMILES:O=C(NCCOc1cccnc1)Nc1cc2cc(-c3cnc4c(c3)OCCO4)ccn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMCIJTOVEOXHKF-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccncc2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBJFVDLHDDOAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)cc1-c1cc(-c2ccncc2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAWZDTCAIVCROK-UHFFFAOYSA-N", "SMILES:Cc1c(O)cccc1-c1cc(-c2ccncc2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGZUNMFHHIULNZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ccncc2)cc(-c2cccc3[nH]ncc23)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKTIFGWIAYFRHZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]ncc2c1-c1cc(-c2ccncc2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUZGPMJDDUWBBO-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccccc2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLLJASUUKHLDB-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccccn2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPMFUPURWFLWIQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2cccnc2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZQXBYQTNNWWML-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2cnn(C)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWEYGEPSOBTCOT-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2cccc3c2CC(=O)N3)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZGOEVUPKPILQG-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc3ccccc23)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJRPACPOOAQWGL-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(F)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJLVWTSSDPROOO-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccncc2F)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DASWLRGEGVHHHT-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(OCCN)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAGDTUMHESEUOI-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(OCCCN)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STFFSSJDFSWOSL-UHFFFAOYSA-N", "SMILES:CNCCCOc1cc(-c2cc(C(N)=O)c(N)c(-c3c(C)ccc(O)c3C)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMDOSBMPKGOSPO-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(OC3CCNCC3)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWUQBLUAYIEBLR-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCNCC3)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNPXBUGWZQVVNF-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCOCC3)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVRYWYZRXYQOU-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCCNCC3)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERAEIGCALHHAR-UHFFFAOYSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3C4CNCC3C4)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTSYQJNDEFNCTP-ROUUACIJSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3C[C@@H]4C[C@H]3CN4)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBUFJFNKQCHLG-SFHVURJKSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(OC[C@@H]3CCCN3)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCJHASFOUKUFAT-INIZCTEOSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(OC[C@H]3CCNC3)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPMEUICXCKOJF-KRWDZBQOSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CC[C@H](N)C3)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPMEUICXCKOJF-QGZVFWFLSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CC[C@@H](N)C3)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKRRSKRLUXQWOR-GOSISDBHSA-N", "SMILES:CN[C@@H]1CCN(c2cc(-c3cc(C(N)=O)c(N)c(-c4c(C)ccc(O)c4C)c3)ccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIMOHMCANSGXIG-MRXNPFEDSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2cc(F)nc(N3CC[C@@H](N)C3)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOXHSLKYBCNIHO-MRXNPFEDSA-N", "SMILES:Cc1ccc(O)c(C)c1-c1cc(-c2cc(OC(F)F)nc(N3CC[C@@H](N)C3)c2)cc(C(N)=O)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJIMCCPZACTFFG-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKJZZWHJRSYFCN-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXPHRMHSHOXCA-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIRRMNYRKMFLD-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQAOAAKQIZALDR-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(I)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYKVQCASRXEGDH-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJIGXQQORUQLDT-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZFCBHLIJMJYRJ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(Br)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOGPAOUOCACZEF-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(Br)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEFDYCQWUJYILU-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(Br)cc4F)c(C(=O)NOCCO)cc32)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLMWGJJKLZFGU-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(I)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUWVCJJRSMPFKV-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(I)cc4F)c(C(=O)NOCCO)cc32)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAJQGNYUVWDCCZ-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(I)cc4F)c(C(=O)NOCCO)cc32)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVAWCMCOHDJYSL-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLCLNGPJQISVRK-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTINXDIYMLMLQA-UHFFFAOYSA-N", "SMILES:CC(C)NS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFBFIWAOJHMRAJ-UHFFFAOYSA-N", "SMILES:CC(C)CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGXQBAYTZYXEQX-UHFFFAOYSA-N", "SMILES:O=C(NOCCO)c1cc2c(ncn2Cc2cccc(NC(=O)C3CCC3)c2)c(F)c1Nc1ccc(C2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUVMBCCCOLJVIR-UHFFFAOYSA-N", "SMILES:O=C(NOCCO)c1cc2c(ncn2Cc2cccc(NC(=O)C3CCCCC3)c2)c(F)c1Nc1ccc(C2CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJIQWSHTRPAARL-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLNJYYBSNPPMMW-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cc(F)cc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCYJMHIIAMZFN-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)Nc1cc(F)cc(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYLLBNFTOUIMRQ-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1ccc(F)c(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSNUCZQSPOGPJA-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFYPTOYWDPVXRA-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMJBNABQZVXTQM-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CCC5)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYRKZDJXBLUWAI-UHFFFAOYSA-N", "SMILES:CCNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CCC5)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRBWRQJIWFGRSH-UHFFFAOYSA-N", "SMILES:CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CCCC5)cc4F)c(C(=O)NOCCO)cc32)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSWBNVSYNXBXGM-GFCCVEGCSA-N", "SMILES:CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1)CC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIJQLPPLEBNHNU-IAGOWNOFSA-N", "SMILES:Oc1cc(C(F)(F)F)ccc1-c1nnc(N[C@@H]2CCCC[C@H]2O)c2c1CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAXBXEHRSWBRTN-IAGOWNOFSA-N", "SMILES:Oc1cc(C(F)(F)F)ccc1-c1nnc(N[C@@H]2CCCC[C@H]2O)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODGCBIHLUWFFP-DCNYZXSGSA-N", "SMILES:Oc1cc(C(F)(F)F)ccc1-c1nnc(N[C@@H]2CCCC[C@H]2O)c2c1C1CCC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOLMVIPMLAAFCA-DAWZGUTISA-N", "SMILES:Cc1ccc(-c2nnc(N[C@@H]3CCCN(C4CC(F)(F)C4)C3)c3c2C2CCC3CC2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMAQZEVLTCQPQD-OFLPRAFFSA-N", "SMILES:Oc1c(-c2nnc(N[C@@H]3CCCN(C4CC(F)(F)C4)C3)c3c2C2CCC3CC2)ccc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCAOZOJAFZQGF-OFLPRAFFSA-N", "SMILES:CCN1CCC[C@@H](Nc2nnc(-c3ccc4occc4c3O)c3c2C2CCC3CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCAOZOJAFZQGF-QJWWOQIYSA-N", "SMILES:[2H]C([2H])([2H])C([2H])([2H])N1CCC[C@@H](Nc2nnc(-c3ccc4occc4c3O)c3c2C2CCC3CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNBDWXPYOJFIBC-OFLPRAFFSA-N", "SMILES:OCCN1CCC[C@@H](Nc2nnc(-c3ccc4occc4c3O)c3c2C2CCC3CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEWSVTABRJPBFY-VHYNJHTPSA-N", "SMILES:CC(CO)N1CCC[C@@H](Nc2nnc(-c3ccc4occc4c3O)c3c2C2CCC3CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBJMXONMYKZHGN-FJBKBRRZSA-N", "SMILES:Oc1c(-c2nnc(N[C@@H]3CCC[C@H](O)C3)c3c2C2CCC3CC2)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DACYNZMGVOLDQU-VKYMVXLJSA-N", "SMILES:Oc1c(-c2nnc(N[C@@H]3CCCC[C@H]3O)c3c2C2CCC3CC2)ccc2occc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMQASPLJWNIHTG-QDIHITRGSA-N", "SMILES:CN1C[C@H](F)C[C@@H](Nc2nnc(-c3ccc4occc4c3O)c3c2C2CCC3CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4444429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHCTZVFESCSNEW-MHZLTWQESA-N", "SMILES:O=C1NS(=O)(=O)CCOCCCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4650311", "category": ["biolink:ChemicalEntity"], "name": "ONC-206", "xref": ["InChIKey:ITMGVSSHWMTJRR-UHFFFAOYSA-N", "SMILES:O=C1C2=C(CCN(Cc3ccccc3)C2)N2CCN=C2N1Cc1ccc(F)cc1F"], "synonym": ["Onc 206", "Onc-206", "Onc206", "ONC-206", "ONC206"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOUIOTSGRLUYDB-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccccc1)CCN(Cc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPWJXWKKAVIIQL-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(F)cc1F)CCN(Cc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBJFUHRWEAIMHV-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(C(F)(F)F)cc1)CCN(Cc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMSZASVMLJDJU-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccccc1)CCN(Cc1cccc(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCQBBMZNKHBYNC-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccccc1)CCN(Cc1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVJLMFCNQOTMI-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccccc1)CCN(Cc1cccc(Br)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WALXZIHWGRZOIU-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(F)cc1)CCN(Cc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMQNUAOVKPOSKY-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(Cl)cc1)CCN(Cc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOSHMSSHVIAOHD-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(Br)cc1)CCN(Cc1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVXGLVYDYRFYRV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2c(=O)c3c(n4ccnc24)CCN(Cc2ccccc2)C3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTJYRBOKWYKCLU-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(F)cc1)CCN(Cc1cccc(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRUPYUNBKASCFD-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(Cl)cc1)CCN(Cc1cccc(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBJGKBXYDAQBLW-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(C(F)(F)F)cc1)CCN(Cc1cccc(F)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYDIGUOPCVMAMV-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(F)cc1)CCN(Cc1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCLJICXDAEAJZ-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(Cl)cc1)CCN(Cc1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLOGPPCKNRATOS-UHFFFAOYSA-N", "SMILES:O=c1c2c(n3ccnc3n1Cc1ccc(C(F)(F)F)cc1)CCN(Cc1cccc(Cl)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVZVALACNQXOQY-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(CN2CCc3c(c(=O)n(Cc4ccc(Cl)cc4)c4nccn34)C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODCJFPOGXDCLCK-UHFFFAOYSA-N", "SMILES:N#CC1(CNc2cccc(-c3cc(Nc4cnn(CCCCCCC(=O)NO)c4)ncc3Cl)n2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQRCRASLIYMBDI-UHFFFAOYSA-N", "SMILES:N#CC1(CNc2cccc(-c3cc(Nc4cnn(CCCCCC(=O)NO)c4)ncc3Cl)n2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBTIJTDAEXPUCZ-UHFFFAOYSA-N", "SMILES:N#CC1(CNc2cccc(-c3cc(Nc4cnn(Cc5ccc(C(=O)NO)cc5)c4)ncc3Cl)n2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLXYQSBJIUDDFW-UHFFFAOYSA-N", "SMILES:N#CC1(CNc2cccc(-c3cc(Nc4cnn(CCCCCCC(=O)Nc5ccccc5N)c4)ncc3Cl)n2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJMGRNCCZXFDC-UHFFFAOYSA-N", "SMILES:N#CC1(CNc2cccc(-c3cc(Nc4cnn(CCCCCC(=O)Nc5ccccc5N)c4)ncc3Cl)n2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PACHKDZLOQGLDD-UHFFFAOYSA-N", "SMILES:N#CC1(CNc2cccc(-c3cc(Nc4cnn(Cc5ccc(C(=O)Nc6ccccc6N)cc5)c4)ncc3Cl)n2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTEGSROUXYZYDG-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)c1ccc(Cn2cc(Nc3cc(-c4cccc(NCC5(C#N)CCOCC5)n4)c(Cl)cn3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZWGCUOYMDOLSY-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYHQBDMJHOUCFN-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPWNPOWUISHIER-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(Nc3cc(-c4cccc(NCC5CCOCC5)n4)c(Cl)cn3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECYYPLQJFRHNB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFLWUCUZNXYBY-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REHRELLCWDTQPD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(Nc3cc(-c4cccc(NCc5cccc(F)c5)n4)c(Cl)cn3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCASSTFEWXEOHP-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cc(Nc2cnn(CCCCCCC(=O)NO)c2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLHGACFYBCCFIW-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cc(Nc2cnn(CCCCCC(=O)NO)c2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOKOZXITMRFJDN-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGEBTIIZCYRMMS-MDWZMJQESA-N", "SMILES:COc1cc(F)ccc1-c1cc(Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDKHMYBAMGWNKK-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cc(Nc2cnn(CCCCCC(=O)Nc3ccccc3N)c2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTKYIOVWBAZBHC-UHFFFAOYSA-N", "SMILES:COc1cc(F)ccc1-c1cc(Nc2ccc(NC(=O)CCCCCCC(=O)Nc3ccccc3N)cc2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQCBTNFRVPULKC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLHSJLSXMSEODL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBGFLVXOCJHUCJ-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAFCJMADBSTNKY-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)CCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccc(-c5ccccc5)cn34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKQLAXVKQYUVLB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1cc(Nc2ncc(Cl)c(OC3CCCCC3)n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPYUNJLQFPTQBZ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1cc(Nc2ncc(Cl)c(OC3CCCCC3)n2)cn1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKQXGEWMUGGJHS-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(Nc2ncc(Cl)c(OC3CCCCC3)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOKJDHZZKFMPMK-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc(Nc2ncc(Cl)c(OC3CCCCC3)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCNBRWJCDZYGU-UHFFFAOYSA-N", "SMILES:O=C(CCCC(=O)Nc1ccc(Nc2ncc(Cl)c(OC3CCCCC3)n2)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPPBHDORTPIJEE-UHFFFAOYSA-N", "SMILES:CCCCNNC(=O)CCCCCCC(=O)Nc1ccc(Nc2ncc(Cl)c(OC3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGBTUGLOTTWDJI-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)CCCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBIGREVGMNJQFD-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)CCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWLVWBSFCUDEEE-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccc(-c6ccccc6)cn45)n3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPFKHLSRWYMGQF-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cc(Nc3ncc(Cl)c(OC4CCCCC4)n3)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEKYTQMFAGXTNJ-UHFFFAOYSA-N", "SMILES:Cn1c(=O)c2c(nc(S(C)(=O)=O)n2C)n(CC#Cc2cccc(NC(=O)CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)c2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2004687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGZJSYXKEGHHMW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccccc3)nc3c2CC(=O)Nc2ccccc2-3)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVHPHCKHDMQYHP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccccc3)nc3c2CC(=O)Nc2ccccc2-3)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUSROYWWBGTSU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccccc3)nc3c2CC(=O)Nc2ccccc2-3)ccc1OCCOC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DINAFDITDUPTRG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccccc3)nc3c2CC(=O)Nc2ccccc2-3)cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUHBZGIYDWPQGE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccccc3)nc3c2CC(=O)Nc2ccccc2-3)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUIDGTXJCRYYEG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccccc3)nc3c2CC(=O)Nc2ccccc2-3)cc1OCCOC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3278090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYMYZJJFMPDOA-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXLVXSJMQLRGDY-RMPZOOHUSA-N", "SMILES:COc1cc(-c2cc(-c3ccccc3)nc3c2CC(=O)Nc2ccccc2-3)ccc1OCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANQYGKVLKNBYFQ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NS(=O)(=O)C2CC2)cc(-c2ccc(Cl)cc2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVLWDVXAVQTEGW-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NS(=O)(=O)N(C)C)cc(-c2ccc(Cl)cc2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCEDSBRRQLSVCI-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NS(=O)(=O)N(C)C)cc(-c2ccc(Cl)c(Oc3cnccn3)c2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTYQGKSQYCEYBH-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(O)cc(-c2ccc(OC(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQBTGKORANNEM-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)NS(=O)(=O)N(C)C)cc(-c2ccc(Cl)c(Oc3ccccn3)c2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRMVDGCONSBRA-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)cc(-c2ccc(Cl)c(C#N)c2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSWGQEHEYAADCX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(Cl)cc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(OCC)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1316881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XITZPIXICJOKTF-UHFFFAOYSA-N", "SMILES:CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPYVVLITIRROP-UHFFFAOYSA-N", "SMILES:CCOc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(C(=O)OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHBDLWRBPOXMSA-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(C(=O)OCC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGIMRWTHZLXAL-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cccc(C(=O)OCC)c2)cc1OCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANHYOVWSJNFDLF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(OCC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSVQRKVBYUXPBX-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDFHXWEODSTRR-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(OCC)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIKHYYPRXTLNM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(OCC)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJTBDBRSIYMGRK-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cccc(C(=O)OCCOC)c2)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUFFMZMOHYVRSR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cccc(C(=O)OCCOCCOC)c2)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGEMWXURBVPEKC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(N(C)C)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLOPQVCANYOEAV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(Cl)cc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(OCC)c(OCC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLNVSZPYFMBRJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(N)cc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(OCC)c(OCC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZIAJUCEIYSEKU-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(Cl)cc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(OC)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYPLFZDYFJNDN-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cc(Cl)cc(C(=O)OC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGYWSNHOIXPSCJ-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cc(Cl)cc(C(=O)OCCOC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKGREJQKOVUYCG-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cc(Cl)cc(C(=O)OCCOCCOC)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCKSYHGGECGUIC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(F)cc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(OCC)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOHHCDTVCLRAAQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(Br)cc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(OCC)c(OC)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAZUJBZUWKVGSF-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)sc2C(=O)Nc2cc(Cl)cc(C3OCCO3)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZLHJLBDHRAPLB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(-c2nnc(-c3sc(Cl)cc3S(=O)(=O)N(C)c3ccc(OCC)c(OC)c3)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWBOWKBAALOURN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(OCC)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLUZOGUCIYXPFC-UHFFFAOYSA-N", "SMILES:CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(C(=O)OC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTFDBBMDPBCILH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(OCC)c(OCC)c2)c1"]}
{"name": "Phospholipid-transporting ATPase ABCA1", "xref": ["CHEMBL.TARGET:CHEMBL1641361"], "id": "UniProtKB:P41233", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWZMLVVFXUZPT-LMSSTIIKSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMYCBOGNIXEKPX-UZNNEEJFSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCC(=O)N3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTHOTLCZYQVYSA-UZNNEEJFSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCC(=O)N3CCNCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWVYBAUVCPWKSM-MSEJLTFDSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCc3ccccc3F)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVUWPCXKRZFNGP-PUDHBBIYSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCc3ccccc3OC)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMJVCBSDCORSFX-PUDHBBIYSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCc3ccccc3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRRUNCHHTRDLIU-CQTOTRCISA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTKSEXYMHGXYKJ-QWOOXDRHSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NC3CCCCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDIGPXZCVFNIA-UZNNEEJFSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NC3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLTFOHFSLUPAAG-QWOOXDRHSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCC3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUYYGHAVHYMIOU-UZNNEEJFSA-N", "SMILES:CCN(c1cc(-c2cccc([C@@H]3C[C@H]3NC3CCOCC3)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCZJYBMHIQEMJE-QWOOXDRHSA-N", "SMILES:CCN(c1cc(-c2cccc([C@@H]3C[C@H]3NCC3CCOCC3)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHRFIYSGGOMBIT-LMSSTIIKSA-N", "SMILES:CCN(c1cc(-c2cccc([C@@H]3C[C@H]3N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKPKLHOBUDBRRD-XDFJSJKPSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFFLVUEIBAKJU-ZGAWMTGXSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(CC(=O)N3CCOCC3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYDGQZMWTJHTGE-ZSFNYQMMSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZDWEJVXMHAPU-LOGWAFOFSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYWHNVWPQLLWQJ-OMBCEYFDSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(Cc3ccccc3OC)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJRBPFAWPKXWNE-OMBCEYFDSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NROORSXBSQBXTA-PIZIKKFZSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(CC3CC3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKZGJMWFQGJAJC-YFXFWNCGSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(C(=O)OC(C)(C)C)C3CCCCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTZJBIWEHITBGH-ZGAWMTGXSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(C(=O)OC(C)(C)C)C3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHANRLSFLMVNPQ-YFXFWNCGSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(CC3CCOCC3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQANJWZENBMTBD-BHYZAODMSA-N", "SMILES:CCN(c1cc(-c2cccc([C@H]3C[C@@H]3NC(=O)OC(C)(C)C)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNOIAVWFBDRBNZ-UXMGRTHOSA-N", "SMILES:CCN(c1cc(-c2cccc([C@H]3C[C@@H]3N(C(=O)OC(C)(C)C)C3CCOCC3)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPAZUDMNOVRAR-VWMWMKPNSA-N", "SMILES:CCN(c1cc(-c2cccc([C@H]3C[C@@H]3N(CC3CCOCC3)C(=O)OC(C)(C)C)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCILOCNYNBOCPE-IGYGKHONSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)c(Br)c(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUNOPNCOYNMFSF-XDFJSJKPSA-N", "SMILES:CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NC(=O)C(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYGKEBJXBIMDZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)no[n+]3[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVNTWJRDUQPKQR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)no[n+]3[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNYNMXYYVKJILV-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3c(c2)no[n+]3[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRMRLOFKQGQONW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)no[n+]3[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAJLPVIMAXWBOZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)no[n+]3[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGAQHUWITMWHSL-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(OC(=O)c2ccc3c(c2)no[n+]3[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYOOXKPPULWXMY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccccc2)C(=O)c2ccc3c(c2)no[n+]3[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXEJWVIYJQIWAA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccc(F)cc2)C(=O)c2ccc3c(c2)no[n+]3[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXCQFPLXZUKPCR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(Cc2ccco2)C(=O)c2ccc3c(c2)no[n+]3[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBPNLYXEFLJLIG-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN(CCc2ccccc2)C(=O)c2ccc3c(c2)no[n+]3[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBCCOZLLRGOKTG-UHFFFAOYSA-N", "SMILES:N#CCCN(CCc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc2c(c1)no[n+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2270111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXRCJZJVVZUOHN-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(c1)no[n+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYNAXQQSCXUKQ-UHFFFAOYSA-N", "SMILES:O=C(NCCOc1ccc2oc(=O)ccc2c1)c1ccc2c(c1)no[n+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWZIJELOOAWFCP-UHFFFAOYSA-N", "SMILES:O=C(NCCOc1ccc2ccc(=O)oc2c1)c1ccc2c(c1)no[n+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCVAXBHRQGIMSI-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc2oc(=O)ccc2c1)c1ccc2c(c1)no[n+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLHIPFSNLKQJDJ-UHFFFAOYSA-N", "SMILES:O=C(Oc1ccc2ccc(=O)oc2c1)c1ccc2c(c1)no[n+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSNSIUYPAZPHMM-UHFFFAOYSA-N", "SMILES:O=C(OCCOc1ccc2ccc(=O)oc2c1)c1ccc2c(c1)no[n+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJOPDTWXIWUHRZ-UHFFFAOYSA-N", "SMILES:O=C(OCCCOc1ccc2oc(=O)ccc2c1)c1ccc2c(c1)no[n+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYHNYMBBVCCSKV-UHFFFAOYSA-N", "SMILES:O=C(OCCCOc1ccc2ccc(=O)oc2c1)c1ccc2c(c1)no[n+]2[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXDUAHXCJRWZMO-OAHLLOKOSA-N", "SMILES:CCOc1cc(N(C)c2c(-c3ccnc(C)c3)cnn2C[C@@H](C)O)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFVBWPLHXYHRT-UHFFFAOYSA-N", "SMILES:CCOc1cc(N2CCn3ncc(-c4ccnc(C)c4)c3C2=O)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSLIDIPXCLTHGW-AWEZNQCLSA-N", "SMILES:CCOc1cc(N2C[C@H](C)n3ncc(-c4ccnc(C)c4)c3C2=O)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSLIDIPXCLTHGW-CQSZACIVSA-N", "SMILES:CCOc1cc(N2C[C@@H](C)n3ncc(-c4ccnc(C)c4)c3C2=O)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVAIRJRRWKPXRJ-ZDUSSCGKSA-N", "SMILES:COc1cc(N2C[C@H](C)n3ncc(-c4ccnc(C)c4)c3C2=O)ccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEBDQMIPOSNHJB-HNNXBMFYSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)c(OC(C)C)c2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCYTWOPSUXNHKD-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)c(C)c2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNJBHHWOLOEILN-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)c(F)c2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIZFXKHDHPLHEY-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)c(Cl)c2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDQWAQAEMDFATG-LBPRGKRZSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(Cl)c(Cl)c2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3421838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOYOLHWWQMGLGG-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFGKGVKSXUOSR-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(Cl)cc2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQFEXBVXVIMTE-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(F)cc2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWKIYCVUPHWGNX-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(C#N)cc2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITCWHHIWQZORBB-HNNXBMFYSA-N", "SMILES:Cc1ccc(N2C[C@H](C)n3ncc(-c4ccnc(C)c4)c3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUEGPZNWTMFJTO-HNNXBMFYSA-N", "SMILES:CCOc1cccc(N2C[C@H](C)n3ncc(-c4ccnc(C)c4)c3C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAJGJIONUBZTBJ-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccccc2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVRFXJWTGUXRBW-LBPRGKRZSA-N", "SMILES:C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3ccncc3)cnn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJUVVNRSHQKNHN-LBPRGKRZSA-N", "SMILES:C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3cccnc3)cnn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBEZDRMELJQVKU-ZDUSSCGKSA-N", "SMILES:Cc1cncc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAVQCFCKEBDTRH-AWEZNQCLSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJWSVCIMAZRUDD-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)c(Cl)c2)C[C@@H]3C)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVWNOBZPFCRILP-ZDUSSCGKSA-N", "SMILES:Cc1cc(-c2cnn3c2C(=O)N(c2ccc(Cl)c(Cl)c2)C[C@@H]3C)cc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPFWSHPUBHNYIJ-LBPRGKRZSA-N", "SMILES:COc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSWYMMGKOOXPBL-NSHDSACASA-N", "SMILES:COc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)c(Cl)c2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTXWIDQJBYAABW-NSHDSACASA-N", "SMILES:COc1cc(-c2cnn3c2C(=O)N(c2ccc(Cl)c(Cl)c2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIVAVPBXWFGCRX-LBPRGKRZSA-N", "SMILES:CNc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOMVLDIBAZHHSU-NSHDSACASA-N", "SMILES:CNc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)c(Cl)c2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQBUNWWCGKWOPJ-NSHDSACASA-N", "SMILES:CNc1cc(-c2cnn3c2C(=O)N(c2ccc(Cl)c(Cl)c2)C[C@@H]3C)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJGUAIIQEIRSNZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C(=O)O)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPAWMJRQQCQXGN-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Oc2c(Cl)cc(-n3nc(CO)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMFUMKJUCACHRH-UHFFFAOYSA-N", "SMILES:COCc1nn(-c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQFDRESHEJPALS-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Oc2c(Cl)cc(-n3nc(NC(=O)OC(C)(C)C)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZZBNKVFMULQCU-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCDSDOMETATZFU-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Oc2c(Cl)cc(-n3nc(CC(=O)O)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZWODHZZYHEPCB-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Oc2c(Cl)cc(-n3nc(CC#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIHRHXQTADCLN-UHFFFAOYSA-N", "SMILES:C#Cc1nn(-c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDMOOCBIEDAMOF-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C(N)=O)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBIHNERKYNXGRF-RBOXIYTFSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)CC[C@@]31CCNC2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5597206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOBSSDPTLBHQIA-QFTHWCHOSA-N", "SMILES:COc1cc(-c2cccc3c2N(C)CC3)c(CN2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c(OC)ccc(c34)C2)c(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZKTQAFGPNQBW-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYZKTQAFGPNQBW-SANMLTNESA-N", "SMILES:CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXMAGTHPIKFVSL-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QREQNCZEUBAOOX-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2cccc(F)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQOPUEAWEZCQBF-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDZQTLQFQJRLJK-WPWMEQJKSA-N", "SMILES:CNC(=O)/C(=C\\c1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccccc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDEONIWVCYOQED-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2cccc(C)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5590507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTXWLTSAWFRCQK-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ncccc2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVOJGOCNXIQLBB-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccccc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEOMMPXJGJTDNU-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccccc2Br)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZMCUKWSZUYKNT-UHFFFAOYSA-N", "SMILES:CCc1ccccc1C1(C(=O)NC(Cc2cn(-c3ccc(-c4ccc(C#N)cc4)cc3)nn2)C(=O)NC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COYNCHZYDOKQEB-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccccc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVPYBFXKRIGEBO-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccccc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAYNEOHPBDBQNS-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccccc2C#N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVSJBDBSWOGXCW-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C(C)(C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHLFDUUFQZTEW-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccccc3)cc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMWYTDAATXKAX-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccccn3)cc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMEASBBVEWPHRG-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3cccnc3)cc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZBNWNUSPWQORY-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cn3)cc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSTUBFKESJYWEQ-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(N4CCN(C)CC4)cc3)cc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WURSSCMYPWOVTI-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ccc(CN4CCN(C)CC4)cc3)cc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMWRXVJXLUBRR-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc3ccccc3c2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWPZIHNAFGBGBH-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccccc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLJWCIJGKNKVAT-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccn(C)n2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSEXQMDWKHPWPE-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)C(Cc1cn(-c2ccc(-c3ccc(C#N)cc3)cc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVSHHZHUWFBHGX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(-n3cc(CC(NC(=O)C4(c5ccccc5)CC4)C(=O)NC4CC(O)C4)nn3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUDSPKLHGGAHOB-UHFFFAOYSA-N", "SMILES:CN1CCC(NC(=O)C(Cc2cn(-c3ccc(-c4ccc(C#N)cc4)cc3)nn2)NC(=O)C2(c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWONBQRZORTHIO-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)C(Cc2cn(-c3ccc(-c4ccc(C#N)cc4)cc3)nn2)NC(=O)C2(c3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLNMVTKCUHXSIF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1(C(=O)NC(Cc2cn(-c3ccc(-c4ccc(C#N)cc4)cc3)nn2)C(=O)N2CC(O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRGJQWGEXXUEAO-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1(C(=O)NC(Cc2cn(-c3ccc(-c4ccc(C#N)cc4)cc3)nn2)C(=O)NC2CC(O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5598364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URVWOTBQUBVUEH-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1(C(=O)NC(Cc2cn(-c3ccc(-c4ccc(C#N)cc4)cc3)nn2)C(=O)N2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHVHOCWYHZZEHY-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)C(Cc2cn(-c3ccc(-c4ccc(C#N)cc4)cc3)nn2)NC(=O)C2(c3ccccc3C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5591180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMUZXRGNTODESB-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C1(C(=O)NC(Cc2cn(-c3ccc(-c4ccc(C#N)cc4)cc3)nn2)C(=O)NC2CCN(C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTAQFWEVNZONP-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(NC(=O)C(Cc2cn(-c3ccc(-c4ccc(C#N)cc4)cc3)nn2)NC(=O)C2(c3ccccc3C)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5597756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABNKIAVFFDAJQB-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2ccc(-c3ncc(C#N)cn3)cc2)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5596997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKZBRHZOFOTRNJ-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1cn(-c2csc3ccccc23)nn1)NC(=O)C1(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4228654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJXWGPDMMDILGJ-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFQKPWLZCNABIH-UHFFFAOYSA-N", "SMILES:Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALAHKJJOINJGB-UHFFFAOYSA-N", "SMILES:CNc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZWYKMQIEKZQRZ-UHFFFAOYSA-N", "SMILES:CCNc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCQJQSHDOTLAS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(-n3ncc4ccc(NCc5ccccc5)cc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQBOPOXTEJBLOH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2cncc(-n3ncc4ccc(NCCOc5ccccc5)cc43)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGFYXPXQBUATAD-UHFFFAOYSA-N", "SMILES:CNCCNc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4224859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIMGRIKBHQXFGE-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)c(F)c4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUAOCHWWNKCSNI-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc2c(Cl)nn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSMZWVAMDIAJN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQVWICDFLXZTDN-UHFFFAOYSA-N", "SMILES:COc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMENLVZROFNANR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc2ccn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4225287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYFRKTHVILHHEH-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc2ccn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHSYRUWWUUWAGY-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(F)c(Nc2cncc(-c3ccc(C(=O)O)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVPJUFLLTXXDII-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(C)C)cc1Nc1cncc(-c2ccc(C(=O)O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YITHRAGTKVMJPO-UHFFFAOYSA-N", "SMILES:COc1ccc(OC(C)C)cc1Nc1cncc(-c2ccc(C(=O)O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGPCBPXNKSALW-QFIPXVFZSA-N", "SMILES:COC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(-c3cccc(Cl)c3F)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILAALZLDNWDCQE-QFIPXVFZSA-N", "SMILES:COC(=O)Nc1ccc(C(=O)N[C@@H](Cc2cccc(F)c2)C(=O)Nc2cc(-c3cccc(Cl)c3F)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODHOBOUCODBVAU-QFIPXVFZSA-N", "SMILES:COC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2cc(-c3cccc(Cl)c3F)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRQYLRVSLLFDJZ-SNXFEMGASA-N", "SMILES:COC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc(NC(=O)C3CC3C)cc2)C(=O)Nc2cc(-c3cccc(Cl)c3F)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDTWBWKVWKDRCJ-NRFANRHFSA-N", "SMILES:COC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)Nc2cc(-c3cccc(Cl)c3F)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHXOFFCITAEYAJ-NRFANRHFSA-N", "SMILES:COC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccn2)C(=O)Nc2cc(-c3cccc(Cl)c3F)[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZPWOBMHWLPKGH-QXJVASPBSA-N", "SMILES:CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2cc(-c3cccc(Cl)c3F)[nH]n2)C(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOVHOTXLBXKXPD-VWLOTQADSA-N", "SMILES:COC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2cc(=O)[nH]c3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDCXXYJQVSGQEX-CLOUCDSPSA-N", "SMILES:CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2ccc(C(=O)O)cc2)C(=O)N(C)Cc2cc(=O)[nH]c3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZFNJXMSYSWSDA-NXWRJRFDSA-N", "SMILES:CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2ccc(C(=O)O)s2)C(=O)N(C)Cc2cc(=O)[nH]c3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWZAEWYZIUUVGJ-QHCPKHFHSA-N", "SMILES:CN(Cc1cc(=O)[nH]c2ccc(Cl)cc12)C(=O)[C@H](Cc1ccc(NC(=O)C2CC2)cc1)NC(=O)c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFRHPWPFSOKGKT-GITCGBDTSA-N", "SMILES:CN(Cc1cc(=O)[nH]c2ccc(Cl)cc12)C(=O)[C@H](Cc1ccc(NC(=O)C2CC2(C)C)cc1)NC(=O)c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNJDYYVWIHSNGE-DEOSSOPVSA-N", "SMILES:CN(Cc1cc(=O)[nH]c2ccc(Cl)cc12)C(=O)[C@H](Cc1ccc(NC(=O)C2CCC2)cc1)NC(=O)c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSJOBEOTDYJDSX-VWLOTQADSA-N", "SMILES:CN(Cc1cc(=O)[nH]c2ccc(Cl)cc12)C(=O)[C@H](Cc1ccc(NC(=O)C2CCCC2)cc1)NC(=O)c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGHYBMUWAUNQD-SANMLTNESA-N", "SMILES:CN(Cc1cc(=O)[nH]c2ccc(Cl)cc12)C(=O)[C@H](Cc1ccc(NC(=O)C2CCCCC2)cc1)NC(=O)c1ccc(C(=O)O)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOKFWWGRWQKMPW-RHZFKWTDSA-N", "SMILES:C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"name": "Kelch-like protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6066208"], "id": "UniProtKB:Q9UH77", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKPUVJSHQXHOAV-AOGZTRFASA-N", "SMILES:CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYVWEHHNYALGR-MBYUFZISSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C"]}
{"name": "Kelch-like protein 12", "xref": ["CHEMBL.TARGET:CHEMBL6066235"], "id": "UniProtKB:Q53G59", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNQGMYJLKRHAKK-VUBDRERZSA-N", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC1=O"]}
{"name": "Kelch-like protein 20", "xref": ["CHEMBL.TARGET:CHEMBL6067461"], "id": "UniProtKB:Q9Y2M5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPOISSAYJDJXIK-APPDUMDISA-N", "SMILES:COc1ccc2c(N(C)[C@]3(C)CCO[C@H]3C)ncnc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNELWUPBSLZUIQ-MQMHXKEQSA-N", "SMILES:Cn1c(OC[C@H]2CC[C@H](C(F)(F)F)CC2)nn2c(C3CCOCC3)ncc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KERRPWCSVWFGAU-CTYIDZIISA-N", "SMILES:COC[C@H]1CC[C@H](Oc2nn3c(C4CCOCC4)ncc3c(=O)n2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL370962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYTWFJKBZGMYCS-NQIIRXRSSA-N", "SMILES:COc1ccc(Cc2nc(O)c3c(C)nc([C@@H](CCCc4ccccc4)[C@@H](C)O)n3n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQKPYUNZSUCKT-UHFFFAOYSA-N", "SMILES:CC(c1cccc2ccccc12)n1cnc2c(=O)[nH]c(Cc3ccccc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJQIRHYYUPTLHG-LBPRGKRZSA-N", "SMILES:Cc1nc2c([C@@H](C)c3ccc(C(C)(C)C)cc3)nn(CCF)c2c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKAYRGJDALPLCF-UHFFFAOYSA-N", "SMILES:O=C(NCCc1ccccc1)c1cnn2c(=O)cc(-c3ccccc3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPCDHZTUXFHTKT-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2ccc(C(F)(F)F)cc2)c(C2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRVKKFLTBQINJK-UHFFFAOYSA-N", "SMILES:OC(CN1CCOCC1)Cn1ccc(-c2ccc(OC(F)F)c(OC3CCCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3628685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBNDIIUELFNMBG-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3883753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOCQLERZNMLYQW-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1ccc(OC(F)F)c(OC2CCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3884788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJNCIZGQFVQLF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWKHLQXFLAYHCA-UHFFFAOYSA-N", "SMILES:C=CCn1cc(-c2nc3ccccc3nc2Cl)c2cc(OC)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTHGSJGOJCVXEE-UHFFFAOYSA-N", "SMILES:CCCc1nc(C)c2c(=O)[nH]c(-c3cc(CC4CC(C(=O)NO)C4)ccc3OCC)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGFDENLSEDFSFN-UHFFFAOYSA-N", "SMILES:CCCc1nn(C)c2c(=O)[nH]c(-c3cc(Cc4ccc(C(=O)NO)s4)ccc3OCC)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLGWUMFAXQXJOV-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2c(COCCF)cnc3c(C4CC4)cc(C#N)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFQSNOQIMFAIQ-QLYXXIJNSA-N", "SMILES:COc1ccc(/C(CSc2nc3ccccc3c(=O)n2-c2ccccc2)=N\\N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUDNZBPCJBAIFT-MRCUWXFGSA-N", "SMILES:c1ccc(-c2n/c(=N/CCN3CCOCC3)sn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL6067725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRJSNGPMNBZKA-YVLHZVERSA-N", "SMILES:O=C1NC(=O)/C(=C/c2ccc(OCCNc3nc4c(cnn4C4CCCC4)c(=O)[nH]3)c(F)c2)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUWOMFTJOFWPI-WDOBJEIGSA-N", "SMILES:C[C@@H]1CC(Cc2ccc(C(=O)NO)cc2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQGOVELXOUXJPI-UHFFFAOYSA-N", "SMILES:CCCCn1c(=O)n(CC)c(=O)c2[nH]c(-c3cccc(C(C)C)c3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZZPMIVDJSUVSH-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c2c(c3occ(-c4ccc(OS(C)(=O)=O)c(OS(C)(=O)=O)c4)c(=O)c3c1O)CCC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPDLWBIGTSJXOM-UHFFFAOYSA-N", "SMILES:CCCn1c(=O)c2[nH]c(-c3cccc(C(C)C)c3)cc2n(-c2ccc3c(c2)CNC3C(=O)OC)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMTORCZHWMTPTG-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NCCc3c[nH]c4ccc(O)cc34)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQZQBHCXCMFVMI-TWLIWWBMSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C\\CCC[C@@](C)(C(=O)NCOCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N2CC(O)CC2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCC(C)C)C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCMNFGHUNVXXEJ-CYBMUJFWSA-N", "SMILES:C[C@@H](Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCMNFGHUNVXXEJ-ZDUSSCGKSA-N", "SMILES:C[C@H](Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKIRSQMAWQLFY-UHFFFAOYSA-N", "SMILES:CCC(C)(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGLLZIGMPDLDX-ZMBIFBSDSA-N", "SMILES:CC[C@@](C)(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O.NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGLLZIGMPDLDX-BOXHHOBZSA-N", "SMILES:CC[C@](C)(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O.NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIKRVSNAQYDXRL-UHFFFAOYSA-N", "SMILES:CCC(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUIMERQBVNAEDI-FSRHSHDFSA-N", "SMILES:CC[C@@H](Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O.NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUIMERQBVNAEDI-FYZYNONXSA-N", "SMILES:CC[C@H](Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O.NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYALNXIWBYSZNJ-UHFFFAOYSA-N", "SMILES:CC(C)C(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYALNXIWBYSZNJ-FQEVSTJZSA-N", "SMILES:CC(C)[C@H](Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RACIWMNCWUXKGH-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(-c2cccc3ccccc23)cc1)(C(=O)O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDWUKDKWHIAYOW-DEOSSOPVSA-N", "SMILES:O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWJLHWLASLMKHZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C(F)(F)F)nc2c(c1-c1ccc(S(=O)(=O)c3ccccc3)cc1)C(=O)CC(C)(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL237830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBVFRXIGQQRMEF-UHFFFAOYSA-N", "SMILES:c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4451705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHOBCJQUBKORGU-UHFFFAOYSA-N", "SMILES:c1ccc(CN(Cc2ccnc(-c3cccc(CN4CCCNCCNCCCNCC4)c3)c2)Cc2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4529751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLQAGVXEAUFWBY-UHFFFAOYSA-N", "SMILES:c1ccc(CN(Cc2ccc(-c3ncccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4568686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRXOULFRUBYQN-UHFFFAOYSA-N", "SMILES:c1ccc(CN(Cc2ccccn2)Cc2ccccc2-c2cccc(CN3CCCNCCNCCCNCC3)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4548792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUGAHLBTPSZPSM-UHFFFAOYSA-N", "SMILES:c1ccc(CN(Cc2ccc(-c3ccccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNHDOUJWIDSXDG-FMIVXFBMSA-N", "SMILES:CCN(CC)CCCC(C)Nc1cc(OC)cc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSKQVYGGIODIIN-QBGQUKIHSA-N", "SMILES:CC(C)N1CCCC(Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTRSGVIDTHWYNG-UHFFFAOYSA-N", "SMILES:CC1(C)CN2C=C(CS/C(=N/C3CCCCC3)NC3CCCCC3)SC2=N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL307601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXIGSEDPUCMNKD-UHFFFAOYSA-N", "SMILES:C(CCCCNC1=NCCN1)CCCNC1=NCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAYOQYDTFDNGL-UHFFFAOYSA-N", "SMILES:C(CCCCCNC1=NCCN1)CCCCNC1=NCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL76504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWZXPPWSUVZXQY-UHFFFAOYSA-N", "SMILES:C(CCCCCCNC1=NCCN1)CCCCCNC1=NCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4064397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIETUBHCUYNJHA-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCWYMQHOZVXEAP-UHFFFAOYSA-N", "SMILES:Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2nc(CCCNCCCNC3CCCCC3)co2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOVYHDHLFPKQQG-NDEPHWFRSA-N", "SMILES:N[C@@H](CCC(=O)N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1077995", "category": ["biolink:ChemicalEntity"], "name": "PARAZOANTHINE A", "xref": ["InChIKey:WXHLWIZGEJEWKS-CRALRDPISA-N", "SMILES:N=C(N)NCCC[C@@H]1NC(=O)N(/C=C/c2ccc(O)cc2)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5613271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSLHDZQOMOVLGM-FROQITRMSA-N", "SMILES:COc1ccc(/C=C/N2C(=O)N[C@@H](CCCNC(=N)N)C2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1078088", "category": ["biolink:ChemicalEntity"], "name": "PARAZOANTHINE B", "xref": ["InChIKey:BRHUBARRWPTWNX-MMYPVXKMSA-N", "SMILES:N=C(N)NCC/C=C1\\NC(=O)N(/C=C/c2ccc(O)cc2)C1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1078089", "category": ["biolink:ChemicalEntity"], "name": "PARAZOANTHINE C", "xref": ["InChIKey:OIBAUBRNXIHMBQ-RMLQCRNUSA-N", "SMILES:COc1ccc(/C=C/N2C(=O)N/C(=C\\CCNC(=N)N)C2=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5613928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBRJJUEXPFMAJ-UNXPELAGSA-N", "SMILES:N=C(N)NCC/C=C1\\NC(=O)N(/C=C/c2ccccc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOBMRIULDUOKEW-ZWIRUKCSSA-N", "SMILES:N=C(N)NCC/C=C1\\NC(=O)N(/C=C/c2cccc3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSDJERJRAHRKGJ-UHFFFAOYSA-N", "SMILES:N=C(N)NCCCCCNc1noc(Cc2c[nH]c3cc(Br)ccc23)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5612347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQTZFUDCFMVFGM-XAISMOLKSA-N", "SMILES:N[C@H]1CC[C@H](N(C[C@H]2Cc3ncccc3CN2)[C@H]2CCCc3ccccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBCVTARDQMLTQA-UHFFFAOYSA-N", "SMILES:Cc1nc(CN(C)c2cccc3cccnc23)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMEHBBIQEDSPKV-UHFFFAOYSA-N", "SMILES:Cc1nc(CN(C)C2=C(F)CCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4074140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLTWLUMGQHBDCU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1)c1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4075191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOOCLEXNNUYQIM-UHFFFAOYSA-N", "SMILES:Cc1nnsc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1381819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOFNOJJLNOMAHQ-UHFFFAOYSA-N", "SMILES:CSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTHMHZLQSMPVDA-UHFFFAOYSA-N", "SMILES:CSc1nnc(-c2ccc(N)nc2C)o1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLKGZWLRUDQELC-UHFFFAOYSA-N", "SMILES:CSc1nnc(-c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHSHHTCSDBPNEM-UHFFFAOYSA-N", "SMILES:CSc1nnc(-c2ccc(COC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKISKQSALPSCKX-UHFFFAOYSA-N", "SMILES:CSc1nnc(-c2ccc(CNC(=O)c3ccccc3)nc2C)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMEICXHXVMDPEE-UHFFFAOYSA-N", "SMILES:CSc1nnc(-c2cccnc2CCCO)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4299893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPTRCGOYHAYNCF-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNSRQPXATXLWIX-NHCUHLMSSA-N", "SMILES:Cc1nc([C@H]2CCCN2[C@@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4172669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVYXYPWZDRWKCC-OFNKIYASSA-N", "SMILES:CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQPRUHDPQBQAIQ-PLXFJCCSSA-N", "SMILES:CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4168957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APJKDAGVZIBXGG-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASFFAHBIDNFUSD-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(C)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOCMASPEYKUNEG-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)ncn2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSWCCCIHNUDYOD-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(C(C)(C)C)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPYZUVHZIJTSNZ-UHFFFAOYSA-N", "SMILES:CCCCc1nc(-c2ccc(O)cc2)cc(-c2cc(CC=C(C)C)c(OC)cc2O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDNOJMOFFVCYIX-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUBGQBORBIWBNJ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(-c3ccccn3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDVOLDSZHDIUMH-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(-c3cccnc3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJXKFMAIOMDXQZ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(-c3ccncc3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGYPRABXLAVASG-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(-c3ccncc3Cl)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRDPMKXVHOYNKT-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(-c3ncccn3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSYRQUPBYMMYJN-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(-c3cnccn3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFUTTBACLKPTR-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(-c3nccs3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZEGYBCXMGDZKT-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(-c3nn(Cc4ccccc4F)c4ncccc34)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMWBJLGCWRLNJC-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(N3CCOCC3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUKMLKFCAMTSEH-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(C3CCCO3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFGZAWYYVOQSR-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(N3CCCCC3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCZCYJOSZSEKAR-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(N3CCCC3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWVDDNCSSVGRAH-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(N3CCNCC3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPCNVCVFKZUFD-UHFFFAOYSA-N", "SMILES:COC(=O)N1CCN(c2nc(-c3ccc(O)cc3)cc(-c3cc(CC=C(C)C)c(OC)cc3O)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWBASYTXZUHKKW-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(N3CCN(C(C)=O)CC3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHOOSJCUGCKCST-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(-c2cc(-c3ccc(O)cc3)nc(-c3ncccn3)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJWIMJKCKHGGW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3cc(CC=C(C)C)c(OC)cc3OC)nc(-c3ncccn3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLRNFRUKJNJOLS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ncccn3)n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCDCNXNSCJRSTK-UHFFFAOYSA-N", "SMILES:COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(N)n2)cc1CC=C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOKBJKWMFMTFHS-RUZDIDTESA-N", "SMILES:CCCCCCCCCCCCCCCCSCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5095934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVZZUHCTLJGKGA-AREMUKBSSA-N", "SMILES:CCCCCCCCCCCCCCCCCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOHIOSVWMMIED-XMMPIXPASA-N", "SMILES:CCCCCCCCOCCCCCOCCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABWZBRXGDLKZFW-HSZRJFAPSA-N", "SMILES:CCCCOCCCCCOCCCCCOCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZZAQNIIEKUMGB-AREMUKBSSA-N", "SMILES:CCCCCCCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUESPAVRDHQVRE-RUZDIDTESA-N", "SMILES:CCCCCCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZXKFVCFNMVLOD-RUZDIDTESA-N", "SMILES:CCCCCCCCCCCCCCCOCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UISMLXMRDQUWAG-RUZDIDTESA-N", "SMILES:CCCCCCCCCCCCCCOCCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBMLCIKOYGPPCQ-HSZRJFAPSA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCCC#CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZLYNIWLPLNBEC-HSZRJFAPSA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCCCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJYQFJSDHHNEKQ-XMMPIXPASA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCCCC#CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQZQNAADOOJNAB-XMMPIXPASA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCCCCCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMAGTIKFQQGSK-XMMPIXPASA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCC#Cc1ccc(S(F)(F)(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEJIFRWHVRARKN-XMMPIXPASA-N", "SMILES:C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCc1ccc(S(F)(F)(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCHUZLPPFLKGNX-PLFFULENSA-N", "SMILES:CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccnc(C)c2C)cc1)C(=O)O)OC[C@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3.Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3980199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNUFTAKJIDKGNT-ZTAAISNPSA-N", "SMILES:CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccnc(C)c2C)cc1)C(=O)O)OC[C@H](c1ccc(OCC2CCCCC2)cc1)O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4446782", "category": ["biolink:ChemicalEntity"], "name": "ORFORGLIPRON", "xref": ["InChIKey:USUWIEBBBWHKNI-KHIFEHGGSA-N", "SMILES:Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C)c4F)c2=O)[C@H](C)N(C(=O)c2cc4cc([C@H]5CCOC(C)(C)C5)ccc4n2[C@@]2(c4noc(=O)[nH]4)C[C@@H]2C)CC3)cc(C)c1F"], "synonym": ["Orforglipron", "Orforglipron", "Orforglipron", "Ly3502970", "Orforglipron", "LY-3502970", "LY3502970", "Orforglipron"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPDOCZSXAARVDW-VVKXFPHTSA-N", "SMILES:COc1nccc(-c2ccc3c(c2)cc(C(=O)N2CCc4nn(-c5cc(C)c(F)c(C)c5)c(-n5ccn(-c6ccc7c(cnn7C)c6F)c5=O)c4[C@@H]2C)n3[C@@]2(c3noc(=O)[nH]3)C[C@@H]2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYNGGBITLQSFNM-LPNOIHNZSA-N", "SMILES:COCCn1ncc2c(F)c(-n3ccn(-c4c5c(nn4-c4cc(C)c(F)c(C)c4)CCN(C(=O)c4cc6cc([C@H]7CCOC(C)(C)C7)ccc6n4[C@@]4(c6noc(=O)[nH]6)C[C@@H]4C)[C@H]5C)c3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUAHFWOFSXHWOD-OLZAFWBVSA-N", "SMILES:Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C)c4)c2=O)[C@H](C)N(C(=O)c2cc4cc([C@H]5CCOC(C)(C)C5)ccc4n2[C@@]2(c4noc(=O)[nH]4)C[C@@H]2C)CC3)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYUCFDUZPKSEH-KHIFEHGGSA-N", "SMILES:Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C)c4F)c2=O)[C@H](C)N(C(=O)c2cc4cc([C@H]5CCOC(C)(C)C5)ccc4n2[C@@]2(c4noc(=O)[nH]4)C[C@@H]2C)CC3)cc(C)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWXLDVWYUHAIMV-ABBKLYJZSA-N", "SMILES:Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C)c4F)c2=O)[C@H](C)N(C(=O)c2cc4cc([C@H]5CCOC(C)(C)C5)ccc4n2[C@@]2(c4noc(=O)[nH]4)C[C@@H]2C)CC3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDCNSJLHHOXQK-OAHLLOKOSA-N", "SMILES:C[C@@H]1CN(C2c3ccccc3CCc3ccccc32)n2ccc(=O)c(O)c2C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HETMMXUOGUSFSL-HXUWFJFHSA-N", "SMILES:CC(C)C[C@@H]1CN(C2c3ccccc3CCc3ccccc32)n2ccc(=O)c(O)c2C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWWYXSXVOWEKK-QHCPKHFHSA-N", "SMILES:O=C1N[C@@H](Cc2ccccc2)CN(C2c3ccccc3CCc3ccccc32)n2ccc(=O)c(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWWYXSXVOWEKK-HSZRJFAPSA-N", "SMILES:O=C1N[C@H](Cc2ccccc2)CN(C2c3ccccc3CCc3ccccc32)n2ccc(=O)c(O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRYODDAALZLWRI-LJQANCHMSA-N", "SMILES:CSCC[C@@H]1CN(C2c3ccccc3CCc3ccccc32)n2ccc(=O)c(O)c2C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSLCHAJQQVHDK-IBGZPJMESA-N", "SMILES:O=C1c2c(O)c(=O)ccn2N(C2c3ccccc3CCc3ccccc32)C[C@@H]2CCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHSLCHAJQQVHDK-LJQANCHMSA-N", "SMILES:O=C1c2c(O)c(=O)ccn2N(C2c3ccccc3CCc3ccccc32)C[C@H]2CCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKCKTIQIABJQMK-HXUWFJFHSA-N", "SMILES:O=C1c2c(O)c(=O)ccn2N(C2c3ccccc3CCc3ccccc32)C[C@H]2CCCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZPPTOXWNJSUAQ-LJQANCHMSA-N", "SMILES:O=C1c2c(O)c(=O)ccn2N(C(c2ccccc2)c2ccccc2)C[C@H]2CCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZCLTKAEVVVPNB-LJQANCHMSA-N", "SMILES:O=C1c2c(O)c(=O)ccn2N(C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMNYICBQPXLEBI-LJQANCHMSA-N", "SMILES:O=C1c2c(O)c(=O)ccn2N(C2c3ccccc3C=Cc3ccccc32)C[C@H]2CCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLANWLSRXSEFIN-HNNQXCQYSA-N", "SMILES:O=C1c2c(O)c(=O)ccn2N(C2c3ccccc3SCc3c2ccc(F)c3F)C[C@H]2CCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLANWLSRXSEFIN-PEBXRYMYSA-N", "SMILES:O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)C[C@H]2CCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLANWLSRXSEFIN-JLCFBVMHSA-N", "SMILES:O=C1c2c(O)c(=O)ccn2N([C@H]2c3ccccc3SCc3c2ccc(F)c3F)C[C@H]2CCCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBAWJYXZNCEOOW-UHFFFAOYSA-N", "SMILES:COc1c(C(=O)Nc2ccc3c(C)nn(CCC4CCN(C)CC4)c3c2)ccc2c1C=CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWGACHUJXJMSOZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3cccnc3)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DICCUAPYFRVYTO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccccc3)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXYRFCCVJGPYON-UHFFFAOYSA-N", "SMILES:FC(Cc1ccccc1)c1nnc(-c2ccccn2)n1Cc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKDGJKGZZUYQR-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccccn3)n2CC2CC2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVXWCBMHBVVHLG-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWSKCCSTMCMKT-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccccn3)n2Cc2ccccn2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOFOABFUQDQFY-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccccn3)n2Cc2ccccc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQVUGDJSXAXLEA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccccn3)n2Cc2nccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FINARNWWBUJRHQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccccn3)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBBYNAUUJAJJJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCCc2nnc(-c3ccccn3)n2Cc2ccco2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNUULTKZNWVFGA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccccn3)n2Cc2ccco2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBVBZEJTFBJXMT-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCc2nnc(-c3ccccn3)n2Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTDUKNVSLRZTDN-UHFFFAOYSA-N", "SMILES:COc1ccc(CCc2nnc(-c3ccccn3)n2Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPJJWAOCNUWQMZ-UHFFFAOYSA-N", "SMILES:Fc1ccc(CCc2nnc(-c3ccccn3)n2Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYRQFFOCEXQKIN-UHFFFAOYSA-N", "SMILES:c1ccc(CCc2nnc(-c3ccccn3)n2Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZAGWVSBQHTLQX-MDZDMXLPSA-N", "SMILES:Cc1ccc(/C=C/c2nnc(-c3ccccn3)n2Cc2ccco2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCMDYAAAEQEEDO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ncccn3)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIAFSHJLCQIBFN-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccncn3)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVJXIDMAATZZTQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ncccc3C)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDZJODWGBILJH-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3cccc4ccccc34)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKIXUCXCKHBNOI-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccc4ccccc4c3)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFAQUBWIRKJNJC-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3ccc4ccccc4n3)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QELSWRRCAXJKAZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCc2nnc(-c3nccn3C)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHVVUAOZHFXKDP-UHFFFAOYSA-N", "SMILES:Brc1ccc(CCc2nnc(-c3ccccn3)n2Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHEYLUJNAVSDBW-UHFFFAOYSA-N", "SMILES:Brc1cccc(CCc2nnc(-c3ccccn3)n2Cc2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWFXUYFFNWMJNO-UHFFFAOYSA-N", "SMILES:Brc1ccccc1CCc1nnc(-c2ccccn2)n1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSPCNYFYBEJNW-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccccc1CCc1nnc(-c2ccccn2)n1Cc1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFZQWWACSYYVAZ-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCc2nnc(-c3ccccn3)n2Cc2cccs2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMANDWVNBQTFFP-UHFFFAOYSA-N", "SMILES:Clc1ccc(CCc2nnc(-c3ccccn3)n2Cc2cccs2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIRRBXRHLOURHY-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(CCc3cccc4ccccc34)n2Cc2cccs2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOWJITFCPVCQIZ-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nnc(CCc3ccc4ccccc4c3)n2Cc2cccs2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARGXTIVVVKXDQQ-QXMHVHEDSA-N", "SMILES:C(=C\\c1nnc(-c2ccccn2)n1Cc1ccco1)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTEGZBSWPWBADR-UHFFFAOYSA-N", "SMILES:FC(Cc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTNBFMQHSAMES-MDZDMXLPSA-N", "SMILES:Cc1ccc(/C=C/c2nnc(-c3ccccn3)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQRRMNHGNZJSML-BQYQJAHWSA-N", "SMILES:Cc1ccc(/C=C/c2nnc(-c3ccccn3)n2Cc2nccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTEXSBNJVIHMCQ-BQYQJAHWSA-N", "SMILES:Cc1ccc(/C=C/c2nnc(-c3nccn3C)n2Cc2cccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAOZKYKOTAVIDC-AATRIKPKSA-N", "SMILES:Cc1ccc(/C=C/c2nnc(-c3nccn3C)n2Cc2nccs2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLJGTIWFOWIKBS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(OCc2nc3cc4cccnc4cc3nc2COc2ccc(C#N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRNBSOYHGPQIGV-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(OCc2nc3cc4cccnc4cc3nc2COc2ccc(C(=O)OC)cc2ON)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZKYQDJEPWELSC-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccccc1SCc1nc2cc3cccnc3cc2nc1CSc1ccccc1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMHAYDUWHVINKB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccccc1OCc1nc2cc3cccnc3cc2nc1COc1ccccc1C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRJVVZPEXMRSFX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccccc2OCc2nc3cc4cccnc4cc3nc2COc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACKWSUOUMQJYGW-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc(Cl)ccc2OCc2nc3cc4cccnc4cc3nc2COc2ccc(Cl)cc2C(=O)Nc2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYVBGOUNDDGCRT-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(Cl)ccc2OCc2nc3cc4cccnc4cc3nc2COc2ccc(Cl)cc2C(=O)Nc2cc(OC)cc(OC)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXWGKRUOYTOKZ-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2cc(Cl)ccc2OCc2nc3cc4cccnc4cc3nc2COc2ccc(Cl)cc2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNKAWTCRLRJGKB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1OCc1nc2cc3cccnc3cc2nc1COc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIKUZDXSCIBYEO-UHFFFAOYSA-N", "SMILES:CN(C)CC1CC(N(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)CCC1(O)c1cccc(O)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL441765", "category": ["biolink:ChemicalEntity"], "name": "U-50488 METHANE SULFONATE", "xref": ["InChIKey:VQLPLYSROCPWFF-QZTJIDSGSA-N", "SMILES:CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDSUSVUZHOMFL-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCC(N(Cc3ccccc3)S(=O)(=O)c3cccc(Cl)c3)CC2CN(C)C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHDSUSVUZHOMFL-FGVVJANJSA-N", "SMILES:COc1cccc([C@@]2(O)CC[C@H](N(Cc3ccccc3)S(=O)(=O)c3cccc(Cl)c3)C[C@@H]2CN(C)C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIRDEJMLHCPKBG-UHFFFAOYSA-N", "SMILES:COc1cccc(C2(O)CCC(NS(=O)(=O)Cc3ccccc3)CC2CN(C)C)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQNNHXKZLRATI-IFMALSPDSA-N", "SMILES:CN(C)C[C@@H]1CN(CCc2cccc(C(F)(F)F)c2)CC[C@@]1(O)c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYFQNLTVUBFVKG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(F)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMNRJFODSGGUPB-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccccc3F)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWFSLWODNVXETP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(F)cc3F)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDPDJHYCKRCZIE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNSSIVIYSVHAAE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YONZLWLVYPFGMP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(C#N)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZAMULUUOVIQGW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3cccc(C#N)c3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCYUZQWNEREVNX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccccc3C#N)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZDNMISEVQBULP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHJMALOAXPOVNV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HROTUWMETOIFGI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKABCTQPEWGPMZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(C)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXPUNGLIHIMGZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(CO)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRKMOCNIZVJEPP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(OC)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSMGXQUOODVTEH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEWZMNNOZHLTLI-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(C(=O)NC)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPASXTOWJKPKKA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3cccc(C(N)=O)c3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YISSWATWYJXMGT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3cccc(C(=O)NC)c3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITNMPTZTVNLRKJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJLKBCBWEZTLBQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(S(=O)(=O)NC)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUCDVEBPIKHZKY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQWXSABMSDOJQE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(B(O)O)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXLDQDCDWLZUBY-NTCAYCPXSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccc(/C=C/C(=O)OC)cc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTYJBLQSIAASP-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccccn3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKROBUUWVGNQQH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3cccnc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POWXYROSCPHEES-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(NC2CCN(Cc3ccncc3)CC2)nc1Oc1c(C)cc(-c2ccc(C#N)cc2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANALHLMQZYHST-MRXNPFEDSA-N", "SMILES:O[C@H](CNc1nc2ccccc2s1)CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRHBDCZNRJHXEM-KRWDZBQOSA-N", "SMILES:CC(C)c1ccccc1OCCC(=O)NC[C@@H]1Cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXFKVLWYVZYVJB-GOSISDBHSA-N", "SMILES:CO[C@@H](CNC(=O)CCc1cc2cc(Br)ccc2s1)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXPMDKBGZCNPY-SFHVURJKSA-N", "SMILES:CC1(C)c2ccccc2CCN1CC(=O)NC[C@@H]1Cc2ccccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVTLCMZNHHVVDA-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCCNC(=O)NCc2cn3c(C)cccc3n2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAXBVXIWENCQMS-UHFFFAOYSA-N", "SMILES:Cc1cc(S(=O)(=O)NCCn2ccnc2C2CC2)c(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDWGYJFEKSFIW-UHFFFAOYSA-N", "SMILES:c1cc(CNC2CC2)cc(-c2cccc3cccnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBYQKBVFMXBBEM-UHFFFAOYSA-N", "SMILES:c1ccc(-n2cccc2CNC2CCCN(C3Cc4ccccc4C3)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEXDZSUXONWCHY-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)NC1(CCCCC1)c1c-2nc2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZSAVCLGILJHW-UHFFFAOYSA-N", "SMILES:CC1(C)Nc2ccccc2-c2nc3ccccn3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBEGAYDBFPRYLR-UHFFFAOYSA-N", "SMILES:Cc1ccn2c3c(nc2c1)-c1ccccc1NC31CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAZDWCKTIMBQES-UHFFFAOYSA-N", "SMILES:Brc1ccc2nc3c(n2c1)C1(CCCCC1)Nc1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFXHDEFNJUUHGF-UHFFFAOYSA-N", "SMILES:Brc1ccc2nc3c(n2c1)C1(CCCC1)Nc1ccccc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFILMTCFCQMVLK-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(-c2cccc(O)c2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCNRARNIBBZXHR-UHFFFAOYSA-N", "SMILES:NC(=O)CNc1nc(-c2cccc(O)c2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQVYUSFEPDRSPV-UHFFFAOYSA-N", "SMILES:CNC(=O)CNc1nc(-c2cccc(O)c2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWJADMGOQPNCQD-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CNc1nc(-c2cccc(O)c2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVZOBTMBZICRMV-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2cccc(O)c2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNAJIJNYTXXVHO-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cccc(Nc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWUMBUTNQFTTQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(Nc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAWVEYHIODRWRQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc(Nc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVWIRCGNDKIHAI-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc(Oc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIDQRYIFGQNUHN-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)C1CCC(Oc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3774827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYYBADRIAWFQRA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N1CCC(Oc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXZRCBSHAADXIM-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2nc(-c3ccc(CN4CCOCC4)s3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMTGCTTVNRMZKO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)N1CCN(Cc2ccc(-c3nc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYJJTMKJMIRDGG-UHFFFAOYSA-N", "SMILES:CNC(=O)Nc1ncc(-c2nc(-c3ccc(CN4CCN(S(C)(=O)=O)CC4)s3)nc(N3CCOCC3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXUATKMEJQWVFO-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc(Nc2ccc(S(=O)(=O)NC(=N)N)cc2)nc(NN2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBWHXYWCJVIIQS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2nc(Nc3ccc(Br)cc3)nc(N3CCOCC3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDLWBMOEVYRWQA-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(c2nc(Nc3cccc(F)c3)nc(Nc3cccc(F)c3)n2)C(=S)NC1c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATOCKWMSEZYKPW-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=CN(c2nc(Nc3cccc(F)c3)nc(Nc3cccc(F)c3)n2)C(=S)NC1c1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOHINTKHPCRGCC-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Nc2nc(NC(=S)NNc3ccnc4ccccc34)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGLKVOPCPPBFIW-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nc(NC(=S)NNc2ccnc3ccccc23)nc(N(CC)CC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUDPMMGOENEEFA-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(Cl)nc(NC2=NN(c3ccc(Br)cc3)C(c3ccc(C(F)(F)F)cc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWPHKDNLYGSIP-UHFFFAOYSA-N", "SMILES:CN(C)c1nc(Cl)nc(NC2=NN(c3ccc(C(F)(F)F)cc3)C(c3ccc(C(F)(F)F)cc3)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNECVGGCQHVYGV-UHFFFAOYSA-N", "SMILES:O=C1CN(c2nc(Nc3ccccc3[N+](=O)[O-])nc(Nc3ccccc3[N+](=O)[O-])n2)C(=O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPVDYBPAYOYBEP-UHFFFAOYSA-N", "SMILES:O=C1CN(c2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)n2)C(=O)S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMYLXIGUUDDUJW-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(Br)c(Br)cc2c(=O)n1-c1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIFZCGXKYZPZSV-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(Br)c(Br)cc2c(=O)n1-c1ccc(Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTOVKRRNQGQEC-UHFFFAOYSA-N", "SMILES:Cc1nc2cc(Br)c(Br)cc2c(=O)n1-c1ccc(Nc2nc(Nc3ccc(Br)cc3)nc(N3CCCCC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMFUMGAALISETK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(N3CCOCC3)cc2OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMSIUSJNFLQITQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2409593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZCDUNNWESYQDI-UHFFFAOYSA-N", "SMILES:CCNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFRQFKKVGZRIBZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(Nc3ccc(O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKLDQQNRMNZNW-XYOKQWHBSA-N", "SMILES:N#C/C(=C\\c1cccc(F)c1)c1nc(N)nc(Nc2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJQFSCQHAOTUNM-SDNWHVSQSA-N", "SMILES:CN(C)c1ccc(/C=C(\\C#N)c2nc(N)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXMUXNHNFVCNMU-UHFFFAOYSA-N", "SMILES:O=C(O)CNc1nc(NCC(=O)O)nc(NNC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)nc(Nc4ccc(C(=O)NNc5nc(NCC(=O)O)nc(NCC(=O)O)n5)cc4)n3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFUHGGWHUVTOFZ-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCOc4ccncc43)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZMNPEQMXYMHTH-WUXMJOGZSA-N", "SMILES:Cc1ccc(C/C(=C\\COP(=O)(O)OP(=O)(O)O)CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOXJVKLZVKPULE-IZZDOVSWSA-N", "SMILES:O=P(O)(O)OP(=O)(O)OC/C=C(/CO)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOERHZVGLIBTGD-BJMVGYQFSA-N", "SMILES:O=P(O)(O)OP(=O)(O)OC/C=C(/CO)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMNMBBLQEFKJPA-BJMVGYQFSA-N", "SMILES:O=P(O)(O)OP(=O)(O)OC/C=C(/CO)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVAWCZNGHJWBPS-BJMVGYQFSA-N", "SMILES:O=P(O)(O)OP(=O)(O)OC/C=C(/CO)Cc1ccc(C(F)(F)F)cc1"]}
{"name": "Butyrophilin subfamily 2 member A1", "xref": ["CHEMBL.TARGET:CHEMBL6067598"], "id": "UniProtKB:Q7KYR7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNAHCBRGGPSNDZ-UHFFFAOYSA-N", "SMILES:N#Cc1cncc(COc2cc(OCc3cccc(-c4ccc5c(c4)OCCO5)c3C(F)F)ccc2CNCCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXBJUAYHTJSJOV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYVIDVHCTZENPV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2nnc(-c3ccc(Oc4ccccc4)cc3)[nH]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDPGQVDZYFJBO-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2cc(-c3ccc(Oc4ccccc4)cc3)n[nH]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAJSRAHFFMZYAX-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2cc(-c3ccc(Oc4ccccc4)cc3)no2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNVYUJSIWVGSFT-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2nnc(-c3ccc(Oc4ccccc4)cc3)o2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAEAGYDQAYPINN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2csc(-c3ccc(Oc4ccccc4)cc3)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYOIIMYHIXHKML-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUNHVELVSYOGDC-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2ncc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYJHYTIINUTMMZ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(SCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJZDLFAHBSUTHE-UHFFFAOYSA-N", "SMILES:Clc1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXTNBITXSVGRRD-UHFFFAOYSA-N", "SMILES:N#Cc1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXZTGJTCSRIBL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRYOYFYJNZGRDT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCOCJPSPHAYXLD-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEOXXGLUMYLVQE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2cnc(-c3ccc(Cl)cc3)s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNFIESBGUNRAL-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2cnc(-c3ccc(Cl)s3)s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDHDCYUYAJJTN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2cnc(-c3ccc(Cl)nc3)s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQCEMWNBHBLTG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTVBBMDGKXMKMN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFZGQAOSSQOELM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNFFCZFIFAZOEV-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(NCc2cnc(-c3ccc(C4CC4)cc3)s2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXGMNMMPUWUUNY-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQVXDNRONWTUJQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCLIZHCHRYLNHX-UHFFFAOYSA-N", "SMILES:CC(C)Nc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEVFAIRQFAEJH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVIBJTTUONWTKO-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc(CNc3ccnc(Cl)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJREAKDBQCNDV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc(CNc3cc(Cl)nc(Cl)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIFCHAFPURZTKX-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc(CNc3cc(Cl)nc(C(F)(F)F)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHTSDPMXUFRDRS-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc(CNc3cc(C#N)nc(C(F)(F)F)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYMVIOWQRUWRTR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc(CNc3ccnc(C#N)c3)s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCGOMSDDBIEIOD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc(CNc3cc(Cl)nc(C(F)(F)F)c3)s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJWPTPZBDRDGGJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ncc(CNc3cc(C#N)nc(C(F)(F)F)c3)s2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYRUFWWKHTZBX-CCEZHUSRSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CC)CCc2c(C)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTZIQKOPTPCBGT-CCEZHUSRSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCC)CCc2c(C)[nH]c3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJMLCCAFCJEZFN-FOCLMDBBSA-N", "SMILES:CCCCN(CCc1c(C)[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NNCCC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBPIFZZWWPVGNI-FOCLMDBBSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCc2c(C)[nH]c3ccccc23)CC2CCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWQQEZCZBNYQDM-HTXNQAPBSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCc2c(C)[nH]c3ccccc23)Cc2ccc3ccccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYGFRQVUCQWBPJ-FOCLMDBBSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCc2c(C)[nH]c3ccccc23)Cc2cccc(Cl)c2F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPVXFCIEASVVNK-FOCLMDBBSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCc2c(C)[nH]c3ccccc23)Cc2ccccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXKKHHVEYVFRGJ-NTCAYCPXSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCc2c(C)[nH]c3ccccc23)Cc2cc(Cl)ccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKTJLBYZTOJQFR-FYWRMAATSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCc2c(C)[nH]c3ccccc23)Cc2ccc3cc[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBJAZZKAFRWATF-SAPNQHFASA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCc2c(C)[nH]c3ccccc23)Cc2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOZTVWNPSBEHIJ-BUHFOSPRSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCC)C(=O)c2cc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHCFIJXIGRGVTA-WUKNDPDISA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(Cc2ccccc2)C(=O)c2cc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNHCVUGOAWWBQB-WUKNDPDISA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCc2c(C)[nH]c3ccccc23)C(=O)c2cc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIPOYUGNRCKYMQ-BUHFOSPRSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCC)C(=O)c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOPIMVNBBONPGT-FMIVXFBMSA-N", "SMILES:CCCNNC(=O)/C=C/c1ccc(CN(CCC)C(=O)c2cc3cc(Cl)ccc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLCLIYSJPSHWCC-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CN(Cc2ccccc2)C(=O)c2cc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COKNVTJWQGSXKA-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CN(CCC)C(=O)c2cc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NESVPAJHEDLVDV-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CN(CCC)CCC2c3ccccc3NC2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOZAWVIIVSQXGC-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(CN(CCC2c3ccccc3NC2C)CC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZXJHIFAIHZYBG-FSJBWODESA-N", "SMILES:N#Cc1ccc(-c2cn3c(CC(=O)N/N=C/c4ccccc4)csc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHRPGHNXVUJEEF-BRJLIKDPSA-N", "SMILES:N#Cc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(C#N)cc4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLNAUDXFQHUDFP-FOKLQQMPSA-N", "SMILES:N#Cc1ccc(-c2cn3c(CC(=O)N/N=C/c4ccc(O)cc4)csc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REHJUQKVPCBFKQ-WYMPLXKRSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(C#N)cc4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKWLVVCCHHCVIA-WYMPLXKRSA-N", "SMILES:COc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(C#N)cc4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVJJLWLIPDNSHN-MZJWZYIUSA-N", "SMILES:CC(C)(C)c1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(C#N)cc4)cn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNMRHUJKYQIREP-XYAOMKFSSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWNRNPZVCWQCTD-VPUGGFGBSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOXHANGBTWWELR-OCGOKXKXSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLQPXVEAZLRRT-IWPGBRFISA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZJSQSPRCMMIIL-FTGYNQKTSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHRIMONAKXYSJV-VPTIOJHLSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDLKHPIQKAHCFE-NLCBWYDZSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZJSQSPRCMMIIL-ROJFACFCSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBGZIONNWAKNJU-NLCBWYDZSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDTBNMBZXZYNQR-NPWJKDSHSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCCCNC(N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWGZVYBHRJNUII-FPIHMTJZSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](CCC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALHPCEPJSVNXNR-AARZYWIJSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDBPCZSZQHHNBB-FMFNRMDVSA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCn2nncc2C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLLHUJYEHWIMGI-ROMNYNBASA-N", "SMILES:CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1Cn2cc(nn2)C[C@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGHVISPLRHZXPL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)N2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVDMDMOBNKEENF-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2ncnc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFGIUXLSLWSGDD-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2ncnc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEXVKZXJOMMSFM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2ncnc(N3CCN(C(=O)Nc4cc(Cl)cc(Cl)c4)CC3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRVXFGMJFGQOCD-GASCZTMLSA-N", "SMILES:Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncnc3cc(C(N)=O)sc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDSLCPXXDGZJFT-OKILXGFUSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4CC[C@H]3CN(C(=O)Nc3ccc(Cl)cc3)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFQJLFWIQRRMIP-OKILXGFUSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4CC[C@H]3CN(C(=O)Nc3cccc(Cl)c3)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNUUSXPFFIHKOT-TXEJJXNPSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4CC[C@H]3CN(C(=O)Nc3ccccc3F)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIEIKBPKUNDLQY-TXEJJXNPSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4CC[C@H]3CN(C(=O)Nc3ccc(Cl)c(Cl)c3)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWUHEDTRIRBNH-OKILXGFUSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4CC[C@H]3CN(C(=O)Nc3ccc(C(F)(F)F)cc3)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZLBHNJLSVHSFT-TXEJJXNPSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4CC[C@H]3CN(C(=O)Nc3ccc(F)cc3F)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDWQUERTIBKJBO-GASCZTMLSA-N", "SMILES:N#Cc1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncnc3cc(C(N)=O)sc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZYJYQLNHZCLDV-UHFFFAOYSA-N", "SMILES:CCNC(=S)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUCMIHCXQLNNK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2ncnc(N3CCN(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDJJDTLWPJMAAX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2ncnc(N3CCN(C(=O)NC4CCCCC4)CC3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVQIHTMUQYRPPV-BETUJISGSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4C[C@H]3CN(C(=O)Nc3ccc(C(F)(F)F)cc3)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLSXDVRTTFSNTR-PHIMTYICSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4C[C@H]3CN(C(=O)Nc3ccc(Cl)c(Cl)c3)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVCPIHOWRWNCQL-BETUJISGSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4C[C@H]3CN(C(=O)Nc3cc(Cl)cc(Cl)c3)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUGRRIKGKVWJST-BETUJISGSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4C[C@H]3CN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMWJUNDHJWPOCF-GASCZTMLSA-N", "SMILES:C#Cc1cccc(NC(=O)N2C[C@H]3C[C@@H](C2)N3c2ncnc3cc(C(N)=O)sc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVZBYYIDONNRKH-BETUJISGSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4C[C@H]3CN(C(=O)NC3CCCCC3)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPGWEPUWZVJHRW-HDICACEKSA-N", "SMILES:NC(=O)c1cc2ncnc(N3[C@@H]4CC[C@H]3CN(C(=O)Nc3ccc5ccccc5c3)C4)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2208038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJVLKFAQIWASE-OWOJBTEDSA-N", "SMILES:Oc1cc(O)cc(/C=C/c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKFNZAZXDQRSLN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDQYSDBXPKTXCY-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNCRZFTWGFCTD-NRFANRHFSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXNCRZFTWGFCTD-OAQYLSRUSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMJMMVEKXJVCO-FQEVSTJZSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHMJMMVEKXJVCO-HXUWFJFHSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOTDZTKWAUWDBA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLSNCZGSYCOOF-JOCHJYFZSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC[C@@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFLSNCZGSYCOOF-QFIPXVFZSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC[C@H]1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEXINQBGHOBKRC-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPGLURPNLSJTDY-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(C)(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYKLLKEAXPQCI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(O)(C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXROAWJOHGGEM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(O)(C(F)(F)F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEQHVRMDPRCUAI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(OC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVEGBTKARZBXNO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBZIIXAQPUBETD-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC2(CC1)COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPMHBCVMHAFTN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGMLNRIKCBCUAR-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1CN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLRKPWKAPCBWMJ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1CN1CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICAUMIFXLZXAGZ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1CN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNPBJGFBQNBVOL-HZCBDIJESA-N", "SMILES:O=C1C(Oc2ccc(C3CC3)cc2)=CCN1[C@H]1CC[C@H](OCCN2CCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTYSFWQWYFNEHV-FKBYEOEOSA-N", "SMILES:O=C1C(Oc2ccc(C3CC3)cc2)=CCN1[C@H]1CC[C@H](OCCN2CC[C@H](O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTYSFWQWYFNEHV-YPAWHYETSA-N", "SMILES:O=C1C(Oc2ccc(C3CC3)cc2)=CCN1[C@H]1CC[C@H](OCCN2CC[C@@H](O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYOIDVKBPMIADY-XUTJKUGGSA-N", "SMILES:O=C1C(Oc2ccc(C3CC3)cc2)=CCN1[C@H]1CC[C@H](OCCN2CC(O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSPUQOAVUVIGPI-MEMLXQNLSA-N", "SMILES:CC1(O)CN(CCO[C@H]2CC[C@H](N3CC=C(Oc4ccc(C5CC5)cc4)C3=O)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIECPNIWPIKUTD-HZCBDIJESA-N", "SMILES:O=C1C(Oc2ccc(C3CC3)cc2)=CCN1[C@H]1CC[C@H](OCCN2CCOCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDMPXTPQWDZYGR-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWLJGRMKSGGLTR-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUIRYRPRPHCOOR-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(O)(C2CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJVBXXJKAHJAY-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(OC)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZECBAHZJBRDQQI-UHFFFAOYSA-N", "SMILES:CCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC2(CC1)COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APGWGVCWLYVCSY-UHFFFAOYSA-N", "SMILES:COc1cc(N2CC=C(Oc3ccc(-c4ccccc4)cc3)C2=O)ccc1OCCN1CC(O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNPQAYXCKLFGHV-UHFFFAOYSA-N", "SMILES:CN1C(=O)N2Cc3c(c4cc(OCCN5CCOCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)C(c3ccccc3)(C2)C1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNPQAYXCKLFGHV-GXUZKUJRSA-N", "SMILES:CN1C(=O)N2Cc3c(c4cc(OCCN5CCOCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)[C@@](c3ccccc3)(C2)C1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRKQLOCVTRWOQK-UHFFFAOYSA-N", "SMILES:CN1C(=O)N2Cc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C(c3ccccc3)(C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRKQLOCVTRWOQK-NDEPHWFRSA-N", "SMILES:CN1C(=O)N2Cc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)[C@@](c3ccccc3)(C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVRIXPRQZUZGOW-UHFFFAOYSA-N", "SMILES:CN1C(=O)N2Cc3c(c4cc(OCCN5CCOCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)C(C)(C2)C1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVRIXPRQZUZGOW-XXIQNXCHSA-N", "SMILES:CN1C(=O)N2Cc3c(c4cc(OCCN5CCOCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)[C@@](C)(C2)C1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVRIXPRQZUZGOW-JMAPEOGHSA-N", "SMILES:CN1C(=O)N2Cc3c(c4cc(OCCN5CCOCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)[C@](C)(C2)C1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMQXBZMNSYXGEF-UHFFFAOYSA-N", "SMILES:CN1C(=O)N2Cc3c(c4cc(OCCN5CCOCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)C(C3CCCCC3)(C2)C1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBWVNCMTPOWRKL-UHFFFAOYSA-N", "SMILES:CN1C(=O)N2Cc3c(c4cc(OCCN5CCOCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)C(c3ccco3)(C2)C1=O.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQQCHMBOWVFDKD-UHFFFAOYSA-N", "SMILES:CN1C(=O)N2Cc3c(c4cc(O)ccc4n3Cc3ccc(C(=O)NO)cc3)C(c3cccs3)(C2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBRTJRDODGVCX-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCOc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNNYOROZSMEDC-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCOc1cccc(NS(=O)(=O)c2cccc3cccnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPCBHJPHPGIEAX-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCCOc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWRSUZBEMADSCQ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-c2ccccc2S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGTWKDPLANRMOY-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1-c1ccc(O)cc1)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJCDECNJAGAUQS-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1-c1cccc(O)c1)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPHFIAIPAVYSMI-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YASGOWWCJRFQAX-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1-c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWUKIOZSCQHLLG-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccccc2S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZKWNHHWYBLOU-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL586628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGUWUTUJRGNIDR-UHFFFAOYSA-N", "SMILES:CSc1nc2cc3c(cc2n1C(=O)c1ccc(C)cc1)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFRAKXWYJYLJOU-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPCPWVBFYFKQTO-UHFFFAOYSA-N", "SMILES:CSc1nc2cc3c(cc2n1C(=O)c1ccc(C)cc1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLZMOQYZJDTTSR-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2cnc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLMQJSWOVPEPR-UHFFFAOYSA-N", "SMILES:CCSc1nc2ccccc2n1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUGWXDZWHYFCTJ-UHFFFAOYSA-N", "SMILES:C=CCSc1nc2ccccc2n1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYZVOPIGTXEIER-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2c(C)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBYWNEDACZHSNS-UHFFFAOYSA-N", "SMILES:CCc1nc2ccccc2n1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQKSGVYQLGJPER-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2c(C(F)(F)F)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVPDHWVSQJDECJ-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVAUHAXNIJXLTH-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIVRGGDHELCRKR-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYQVYWXHYOLMBT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2c(SC)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVWMRBUDFBEIPF-UHFFFAOYSA-N", "SMILES:CCc1ccc(C(=O)n2c(SC)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSOHFKRTRWCACX-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJSRNTDUGXDIBX-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUJGGQTYJYUSI-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSSGZFMEWVLBB-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1ccsc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSFBUYKNJPZORW-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2c(SC)nc3ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGZVZIRDGXYGTA-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1ccc(C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDOSFATLAYDHP-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1ccc(C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWOWCQJKTNINSG-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1ccc(C)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMNIXIYTFNFAT-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)n2c(SC)nc3ccccc32)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXPBUNXBIWYYIY-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)c1ccc2c(c1)OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQQLSHZAJHGNRF-UHFFFAOYSA-N", "SMILES:CSc1nc2cc3c(cc2n1C(=O)c1ccc(C)c(F)c1)OCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLRCFEPLHPXUAC-UHFFFAOYSA-N", "SMILES:COc1cc2nc(SC)n(C(=O)c3ccc(C)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIDXKKYXSYZYTM-UHFFFAOYSA-N", "SMILES:CSc1nc2cc(Cl)ccc2n1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOGSZSUVYVIBG-UHFFFAOYSA-N", "SMILES:CSc1nc2ccc(Cl)cc2n1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBNWEPOLUKMFKD-UHFFFAOYSA-N", "SMILES:CSc1nc2cc(F)ccc2n1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXNWCHQIDQHQX-UHFFFAOYSA-N", "SMILES:CSc1nc2ccc(F)cc2n1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAUGHRNJOKHKGY-UHFFFAOYSA-N", "SMILES:CSc1nc2ccc(F)cc2n1C(=O)c1ccc(C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEWBRJVAHYBDGD-UHFFFAOYSA-N", "SMILES:CSc1nc2cc3c(cc2n1C(=O)c1ccc(C)c(F)c1)OCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXYHUTCLXNNXEV-UHFFFAOYSA-N", "SMILES:CSc1nc2cc(C#N)ccc2n1C(=O)c1ccc(C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEBARKHAVGHRGM-UHFFFAOYSA-N", "SMILES:CSc1nc2ccc(C#N)cc2n1C(=O)c1ccc(C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEBVSPBIKOLYKS-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2c(C)nc3cc4c(cc32)OCCO4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFAJFLUFWKCXAE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2c(C)nc3ccccc32)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVPQFYOIADKREJ-UHFFFAOYSA-N", "SMILES:CSc1nc2cc(F)ccc2n1C(=O)c1ccc(C)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRFFQVHGGUOTJ-UHFFFAOYSA-N", "SMILES:CSc1nc2ccccc2n1C(=O)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIPLNUTYPRGSU-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2c(Cl)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWCDBPXHBWVEDV-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)n2c(CC#N)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAYGIXHSNYKZGS-UHFFFAOYSA-N", "SMILES:CSc1nc2cc(C)c(C)cc2n1C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBKROBXFYAEXGG-URNMSOJJSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(COC(=O)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@@H](O)C=CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZRJDLMWZXOEAN-VWDPGSHPSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(COC(=O)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@@H](O)[C@H]6O[C@H]6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGFNLWERNVSAW-PTJRNDGOSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(COC(=O)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C(=O)[C@H]6O[C@H]6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFTJGKHTEUANDG-GDOHMNQFSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(COC(=O)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)/C(=N/O)[C@H]6O[C@H]6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMVQDLLRJCYAHL-LBKZETKESA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(COC(=O)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)/C(=N/O)C[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTMBFNHVNLQMOR-MEULQTNOSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)/C(=N/O)C[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCJVCKPRRKTHIE-MJIHWAKYSA-N", "SMILES:C=C1[C@H]2CC[C@@H]3[C@H]4[C@H](C(C)C)CC[C@]4(COC(=O)c4ccccc4)CC[C@@]3(C)[C@]2(C)CC[C@@H]1C(C)(C)[C@@H]1C[C@H]1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXDSSDTXTOCNFJ-HISDDCFHSA-N", "SMILES:C=C1[C@H](C(C)(C)[C@@H](O)CC#N)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H](C(C)C)CC[C@]3(COC(=O)c3ccccc3)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWCVYKDRXMKGA-LHLNNQTESA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(COCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)O[C@H](CC#N)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMWCVYKDRXMKGA-QOHCMCRTSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(COCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)OC(CC#N)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNDCMXKJCVHLET-AZHQVCPLSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(COCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4C(=O)C(C(C)(C)[C@H](CC#N)OC(=O)Cl)CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGQNHGWNNWDDAG-YGGVTNGQSA-N", "SMILES:CC(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)O[C@H](CC#N)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPAVTPOLZIPSTB-JZQFUKRDSA-N", "SMILES:CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)O[C@H](CC#N)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPAVTPOLZIPSTB-VRMAORHISA-N", "SMILES:CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)O[C@@H](CC#N)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHDJDWKNJMSSHZ-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2c(=O)c3ccccc3oc2c1)N1CCOCC1"]}
{"name": "Transforming growth factor beta receptor type 3", "xref": ["CHEMBL.TARGET:CHEMBL6066514"], "id": "UniProtKB:O88393", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSBNGBHBVUDXBV-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc2c(=O)c3ccccc3oc2c1)NCC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIXUKSLAFFOWSY-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2c(n1Cc1cccc(C)c1)-c1nc(NS(=O)(=O)c3ccccc3)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZANKPBROWOBFT-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Br)c2c(n1Cc1cccc(C)c1)-c1nc(NS(=O)(=O)c3ccccc3)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULBQMRBOJPDQK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Br)c2c(n1Cc1ccc(C)c(C)c1)-c1nc(NS(=O)(=O)c3ccccc3)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYZSHZHXEYPYMM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Br)c2c(n1Cc1ccc(Br)cc1)-c1nc(NS(=O)(=O)c3ccccc3)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFQOTTDSGQXHLW-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Cl)c2c(n1Cc1cccc(C)c1)-c1nc(NS(=O)(=O)c3ccccc3)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUDNUJHZHAXCDY-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2c(C(=O)OC(C)C)c(Br)c3c2-c2nc(NS(=O)(=O)c4ccccc4)ncc2CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAGMBRPVXMGZHK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Br)c2c(n1Cc1cccc(Br)c1)-c1nc(NS(=O)(=O)c3ccccc3)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CREXPSYKEFEASH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc2c(n1Cc1ccc(F)c(Br)c1)-c1nc(NS(=O)(=O)c3ccccc3)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLQRUBAHEKRMKH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Br)c2c(n1Cc1ccc(F)c(Br)c1)-c1nc(NS(=O)(=O)c3ccccc3)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAXQSJZNLNKSMD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Br)c2c(n1CC1CC1)-c1nc(NS(=O)(=O)c3ccccc3)ncc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEYBRQDBIZZUHL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Br)c2c(n1Cc1cccc(C)c1)-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMEHSINIYSBYFT-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJLGNPSPXNZOCN-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQALEHBRSZXQEN-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5614264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAFFQTVAOQWVBJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2408500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZAZLSXXIKKUJR-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLVBZSCBEIINFU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXDJBRVJFXDGIC-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWXQLAOVVCWHY-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRRQXXKWKWKDY-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOABVVLGRSAIRX-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2408504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIGSNNDESAUXRO-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NERGPIZXDKCQKX-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCZWRSYURNZUTD-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STKDEEWAQCFVIB-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2408499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGYUQWPIGXPMHO-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXXQXBDVBNDFRL-NSHDSACASA-N", "SMILES:C[C@H](NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5614065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAASLVRNIIZCIU-HNNXBMFYSA-N", "SMILES:CSCC[C@H](NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5613361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMKHKOPUKRPLE-NRFANRHFSA-N", "SMILES:CC(C)[C@H](NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5612477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPFYWOGBTWROU-XMHCIUCPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5613043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGOXZWKKAITENK-GIPWTMENSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWAMQJKXYGOFSY-INIZCTEOSA-N", "SMILES:CC(C)C[C@H](NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5612932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPPORLDRIDRZIL-ZDUSSCGKSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBMAZNGVCDZRIE-QHCPKHFHSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFQDSICUDNRCKG-UHFFFAOYSA-N", "SMILES:CCCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5613770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKDHIANKUDQSI-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5612257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BURQCWMCSWUZLN-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDAYPDVBKVYHCL-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2408505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFRXMARDQMAMKN-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZPOILBBROINDI-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCPFRVQJZCYBX-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZNSUHRJUUEMGO-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOWHHKLNGHZLRC-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFMSXVLWGQOTAX-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccc(Cl)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHMXQDXFDDYQCP-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccc(Cl)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJWGEUCCOJWNCX-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5613374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUTPMBICSJAYER-UHFFFAOYSA-N", "SMILES:COc1cccc(CNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5614274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLHYBUVMYVGJEW-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTCUIKNGKJJQEE-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(CNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4790180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXLGDXHYFWSZPO-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4795228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEMGPHIWVTBJI-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQLUMWKDUHRHIN-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HERCKWMXWQZFDZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(CNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJOZSGJDLOGUDW-UHFFFAOYSA-N", "SMILES:O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SENOTLIGBLGKGP-UHFFFAOYSA-N", "SMILES:CC(C)CS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEESDCKVMQTTMP-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQAAKOXQQZAJJI-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)CCC(F)(F)F)c3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFYQJYQIDCVYPD-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)CC(F)(F)F)c3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBVVUHUXGUSACE-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIKPYJZUOZRTIB-UHFFFAOYSA-N", "SMILES:CC(C)CS(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4535040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVDJOXELSCRPM-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJKAGRREFANRCG-UHFFFAOYSA-N", "SMILES:CC(C)CS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4C)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4542463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPCPNRYPXUUJCP-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(-c3cccc(CNS(=O)(=O)CC4CC4)c3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4531680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKCMEGZSWOVKIL-UHFFFAOYSA-N", "SMILES:CCN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRSNAZUKEIWGSO-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)c4ccccc4F)c3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFHXBOSAKUMDND-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)ccc12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZGQVVAOHJDALS-UHFFFAOYSA-N", "SMILES:CCN(CC)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4C)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTAJUDRCRWCYGF-UHFFFAOYSA-N", "SMILES:CCN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4C)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HONQKLLWWDSCMB-UHFFFAOYSA-N", "SMILES:CC1CC1C(=O)Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12"]}
{"name": "Cyclin-dependent kinase-like 2", "xref": ["CHEMBL.TARGET:CHEMBL5724786"], "id": "UniProtKB:Q5XIT0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTLGSBCNBJBQV-UHFHVUBUSA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N(C)[C@H]5C[C@@H]5F)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXYSKMUNWJBHPG-NAIKRYSESA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N(C)[C@H]5C[C@@H]5F)nc(OCC56CCCN5CC(=C)C6)nc4c3F)c12.OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APIRXSIVXGLMQF-NAIKRYSESA-N", "SMILES:C#Cc1c(F)ccc2cc(N)cc(-c3ncc4c(N(C)[C@H]5C[C@@H]5F)nc(OCC56CCCN5CC(=C)C6)nc4c3F)c12.OCC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQDGUIBULZBERG-CAHKVJEUSA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N(C)[C@H]5C[C@@H]5F)nc(OC[C@@]56CCCN5CC(=C)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQDGUIBULZBERG-PNRGXICFSA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N(C)[C@H]5C[C@@H]5F)nc(OC[C@]56CCCN5CC(=C)C6)nc4c3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFJYGEUPHPKJBL-NAIKRYSESA-N", "SMILES:C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N(C)[C@H]5C[C@@H]5F)nc(OCC56CCCN5CC(=C)C6)nc4c3F)c12.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTLGSBCNBJBQV-GACSFXPGSA-N", "SMILES:[2H]C([2H])([2H])N(c1nc(OC([2H])([2H])C23CCC([2H])([2H])N2C[C@]([2H])(F)C3)nc2c(F)c(-c3cc(O)cc4ccc(F)c(C#C)c34)ncc12)[C@H]1C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSTLGSBCNBJBQV-HFTSIRDOSA-N", "SMILES:[2H]C([2H])([2H])N(c1nc(OC([2H])([2H])C23CCC([2H])([2H])N2C[C@@]([2H])(F)C3)nc2c(F)c(-c3cc(O)cc4ccc(F)c(C#C)c34)ncc12)[C@H]1C[C@@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBFTXDAYDOZYAV-UHFFFAOYSA-N", "SMILES:Cl.NOC(Cc1ccc(-c2ccccc2)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBBBYWCXMVGFAZ-UHFFFAOYSA-N", "SMILES:Cl.NOC(Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNNQZSNCPHCZDC-UHFFFAOYSA-N", "SMILES:Cl.NOC(Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)O"]}
{"name": "Phosphoserine aminotransferase", "xref": ["CHEMBL.TARGET:CHEMBL6066212"], "id": "UniProtKB:Q9Y617", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLWFMZKPPHHHCB-WSOKHJQSSA-N", "SMILES:O=C(O)[C@H]1C[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5614231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNAWOJUHIJZQHA-LCEPJKCQSA-N", "SMILES:CC[C@@]1(C)[C@@H]2[C@H](O)C[C@]3(C)[C@H](CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O[C@H]5O[C@H](CO[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]43C)[C@@]2(C)C[C@@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL448864", "category": ["biolink:ChemicalEntity"], "name": "LEVCYCLOSERINE", "xref": ["InChIKey:DYDCUQKUCUHJBH-REOHCLBHSA-N", "SMILES:N[C@H]1CONC1=O"], "synonym": ["Levcycloserine", "Levcicloserina", "Cycloserine, l-", "L-cycloserine", "NSC-760409", "Levcycloserine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5613661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOAQHROKWVFKRW-PKLMIRHRSA-N", "SMILES:CCN1CCC[C@@H](N2CCOc3cc(-c4c(C)cc(C#N)cc4O)nnc32)C1.O=CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSKAVMMIRGQMJ-GOSISDBHSA-N", "SMILES:CCN1CCC[C@@H](N2CCCc3cc(-c4c(C)cc(C#N)cc4O)nnc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVJBLRRKDFNQJG-JAXOOIEVSA-N", "SMILES:Cc1cc2c(c(O)c1-c1cc3c(nn1)N([C@@H]1CCCC[C@H]1O)CCO3)CCC2.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJMBXZFRHYTKGF-HZPDHXFCSA-N", "SMILES:Cc1cc2c(c(O)c1-c1cc3c(nn1)N([C@@H]1CCCC[C@H]1O)CCO3)CCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJDXFAPZEWKGBV-JAXOOIEVSA-N", "SMILES:Cc1c(-c2ccc3c(c2O)CCC3)nnc2c1OCCN2[C@@H]1CCCC[C@H]1O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGUBPMBTYRHFJJ-GBNZRNLASA-N", "SMILES:Cc1c(-c2ccc3c(c2O)CC3)nnc2c1OCCN2[C@@H]1CCCC[C@H]1O.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZEXSAXJTBDPCU-TXEJJXNPSA-N", "SMILES:CSc1ccc(Cl)cc1Nc1nc(N2C[C@H]3CNC[C@H]3C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZYGZLXWXQNSGB-TXEJJXNPSA-N", "SMILES:N#Cc1c(C(F)(F)F)cc(N2C[C@H]3CNC[C@H]3C2)nc1Nc1ccccc1SC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJKCVFUECBHOLM-GASCZTMLSA-N", "SMILES:CSc1ccc(CCC(N)=O)cc1Nc1nc(N2C[C@H]3CNC[C@H]3C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVOVURZEKLBUJA-OKILXGFUSA-N", "SMILES:CSc1ccc(CO)cc1Nc1nc(N2C[C@H]3CNC[C@H]3C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLZIADBWUMVFLK-GASCZTMLSA-N", "SMILES:CSc1ccc(CCC(=O)O)cc1Nc1nc(N2C[C@H]3CNC[C@H]3C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSLCTDAHCNFOEO-GASCZTMLSA-N", "SMILES:CSc1ccc(COP(C)(=O)O)cc1Nc1nc(N2C[C@H]3CNC[C@H]3C2)cc(C(F)(F)F)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBGIVSPEICTVHF-UHFFFAOYSA-N", "SMILES:CCOc1cccnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)C(C)(C)C3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAIANXCAVSPIAG-GFCCVEGCSA-N", "SMILES:CC1(NC(=O)[C@@H]2CCc3c(-c4cc(OC(F)F)ccc4F)nn(-c4ncc(F)cc4F)c3C2)CS(=O)(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHWZSSXTCRIDLV-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2nn3ccc(Oc4ncccc4OCC(F)(F)F)cc3c2Cl)CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXTVQLNEGAMNKW-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2nn3ccc(Oc4ncc(Cl)cc4OCC(F)(F)F)cc3c2Cl)CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRMPNOCUGVLGAY-UHFFFAOYSA-N", "SMILES:Cc1c(Oc2ncc(Cl)cc2OCC(F)F)cc(F)c2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BACVVZJPTCLRGE-QUGAMOGWSA-N", "SMILES:C[C@]1(NC(=O)[C@@H]2CCc3c(-c4cccc(OC(F)F)c4)nn(-c4ccc(F)cc4)c3C2)CCS(=O)(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNYWROOZYXTBSF-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2cn3cc(Oc4ncc(Cl)cc4OCC(F)(F)F)ccc3n2)CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLVQOFWFZAEPOE-UHFFFAOYSA-N", "SMILES:CCOc1cccnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQKJEWNHZYQLRZ-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2nn3ccc(Oc4ncc(Cl)cc4OCC(F)(F)F)cc3c2F)CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNMRCEYMHZRZBK-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2nc3ccc(Oc4ncc(F)cc4OCC(F)F)cn3n2)CS(=O)(=O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIYYYBEEIZNCA-DEOSSOPVSA-N", "SMILES:COc1cc(C(=O)O)cc2c1nc(Cc1cc(C)c(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc1F)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMTCZESPIZKSQO-QFIPXVFZSA-N", "SMILES:COc1cc(C(=O)O)cc2c1nc(Cc1cc(F)c(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc1F)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAPUHYDOULEHFN-DEOSSOPVSA-N", "SMILES:COCCOc1cc(C(=O)O)cc2c1nc(Cc1cc(F)c(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc1F)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQMYSWDCDIEWQK-DEOSSOPVSA-N", "SMILES:COc1cc(C(=O)O)cc2c1nc(Cc1cc(F)c(-c3cccc(OCc4ccc(C#N)cc4C)n3)cc1F)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIHWFZVVQOUHJO-DEOSSOPVSA-N", "SMILES:COc1cc(C(=O)O)cc2c1nc(Cc1cc(F)c(-c3cccc(OCc4ccc(-n5cncn5)cc4)n3)cc1F)n2C[C@@H]1CCO1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNJHFQIVGRSBGD-QHCPKHFHSA-N", "SMILES:COc1cc(C#N)ccc1COc1cccc(-c2cc(F)c(Cc3nc4c(OC)cc(C(=O)O)cc4n3C[C@@H]3CCO3)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCFPYOPMARSHU-MBEDZMRZSA-N", "SMILES:CN(C)c1ccc2c3c(cccc13)C(=O)N(CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CN)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQPGUXVFNXMOCV-SDHOMARFSA-N", "SMILES:CN(C)c1ccc2c3c(cccc13)C(=O)N(CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]cn1)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PROYDTVIJJJURD-GSDHBNRESA-N", "SMILES:CN(C)c1ccc2c3c(cccc13)C(=O)N(CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOSQDRGNBFQJY-HNNXBMFYSA-N", "SMILES:CN(C)c1ccc2c3c(cccc13)C(=O)N(CCNC(=O)[C@@H](N)CCC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAOHCRQJYNSHJY-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cnc3c(NCCOCCOCCOCCn4cc(COc5ccc(N(C(=O)CCl)C(C(=O)NCCc6ccccc6)c6cccs6)cc5Cl)nn4)nc(N)nc32)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHLGVHIKCZCGGM-UHFFFAOYSA-N", "SMILES:COc1c(C)cnc(Cn2cnc3c(NCCC4CCN(C(=O)Cn5cc(COc6ccc(N(C(=O)CCl)C(C(=O)NCCc7ccccc7)c7cccs7)cc6Cl)nn5)CC4)nc(N)nc32)c1C"]}
{"name": "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1", "xref": ["CHEMBL.TARGET:CHEMBL1795171"], "id": "UniProtKB:O60741", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLIUHBVQKUBRFH-MFWBOLMDSA-N", "SMILES:COc1cc2c(cc1OC)CC(=O)N(CCC[N+](C)(Cc1ccc3ccc(O)c(Br)c3n1)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.CS(=O)(=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POJVQYPIOGGTSP-KSNOWIBYSA-N", "SMILES:C[C@@]12CC[C@]3(Cc4ccccc4)C(=C1C[C@H](O)C2)CCc1cc(O)ccc13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZYMRBKXQWSTE-LGXAAPQCSA-N", "SMILES:Cc1ncccc1Nc1ccc2c(c1)CCC1=C3C[C@H](O)C[C@]3(C)CC[C@]12Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJDULFYOLTZQHD-LGXAAPQCSA-N", "SMILES:Cc1ncccc1-c1ccc2c(c1)CCC1=C3C[C@H](O)C[C@]3(C)CC[C@]12Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWRZGVHXLZBJN-LQGLAIQGSA-N", "SMILES:Cc1ccncc1Nc1ccc2c(c1)CCC1=C3C[C@H](O)C[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPJLMJVJSEKIP-LQGLAIQGSA-N", "SMILES:Cc1ncccc1Nc1ccc2c(c1)CCC1=C3C[C@H](O)C[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVIDGSCOTPYHEN-NWVWQQAFSA-N", "SMILES:Cc1ncncc1Nc1ccc2c(c1)CCC1=C3C[C@H](O)C[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJLOTZTFPZEBB-LQGLAIQGSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCC2=C4C[C@H](O)C[C@]4(C)CC[C@]23C)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZWRZGVHXLZBJN-NGXZDTIWSA-N", "SMILES:Cc1ccncc1Nc1ccc2c(c1)CCC1=C3C[C@@H](O)C[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPJLMJVJSEKIP-NGXZDTIWSA-N", "SMILES:Cc1ncccc1Nc1ccc2c(c1)CCC1=C3C[C@@H](O)C[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVIDGSCOTPYHEN-DKLXNKCPSA-N", "SMILES:Cc1ncncc1Nc1ccc2c(c1)CCC1=C3C[C@@H](O)C[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNJLOTZTFPZEBB-NGXZDTIWSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCC2=C4C[C@@H](O)C[C@]4(C)CC[C@]23C)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDUZEJZDALJJOI-QDSKXPNFSA-N", "SMILES:Cc1ncncc1Nc1ccc2c(c1)CC[C@@H]1C3=CC(=O)C[C@]3(C)CC[C@@]21C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYCWQGPLDJOTO-ZODMCCGTSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CC[C@@H]2C4=CC(=O)C[C@]4(C)CC[C@@]32C)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXLCNZXKZXEGKZ-LGXAAPQCSA-N", "SMILES:Cc1ccncc1Nc1ccc2c(c1)CCC1=C3C[C@H](O)C[C@]3(C)CC[C@]12Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKUBXLNVYQUCFV-QZFRTWIZSA-N", "SMILES:Cc1ncncc1Nc1ccc2c(c1)CCC1=C3C[C@H](O)C[C@]3(C)CC[C@]12Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFMIXHRILMWIJ-LGXAAPQCSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCC2=C4C[C@H](O)C[C@]4(C)CC[C@]23Cc2ccccc2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXLCNZXKZXEGKZ-SDDUWZMOSA-N", "SMILES:Cc1ccncc1Nc1ccc2c(c1)CCC1=C3C[C@@H](O)C[C@]3(C)CC[C@]12Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFZYMRBKXQWSTE-SDDUWZMOSA-N", "SMILES:Cc1ncccc1Nc1ccc2c(c1)CCC1=C3C[C@@H](O)C[C@]3(C)CC[C@]12Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKUBXLNVYQUCFV-NRSKXHDUSA-N", "SMILES:Cc1ncncc1Nc1ccc2c(c1)CCC1=C3C[C@@H](O)C[C@]3(C)CC[C@]12Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJFMIXHRILMWIJ-SDDUWZMOSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CCC2=C4C[C@@H](O)C[C@]4(C)CC[C@]23Cc2ccccc2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGKGPBLPNHAEBD-JMJMSVOMSA-N", "SMILES:Cc1ccncc1Nc1ccc2c(c1)CC[C@@H]1C3=CC(=O)C[C@]3(C)CC[C@@]21Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWTAYKWVUGNXKG-JMJMSVOMSA-N", "SMILES:Cc1ncccc1Nc1ccc2c(c1)CC[C@@H]1C3=CC(=O)C[C@]3(C)CC[C@@]21Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWQSRIWPTKCWEN-JJZPZGAKSA-N", "SMILES:Cc1ncncc1Nc1ccc2c(c1)CC[C@@H]1C3=CC(=O)C[C@]3(C)CC[C@@]21Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODONPMOEDQXNW-JMJMSVOMSA-N", "SMILES:Cc1cnc(Nc2ccc3c(c2)CC[C@@H]2C4=CC(=O)C[C@]4(C)CC[C@@]32Cc2ccccc2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPAZODVMHJKUDX-NJTBCWBZSA-N", "SMILES:COCC[C@@]12CC[C@@]3(C)C[C@@H](O)CC3=C1CCc1cc(Nc3cnccc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZZTZCVCNVFEL-NJTBCWBZSA-N", "SMILES:COCC[C@@]12CC[C@@]3(C)C[C@@H](O)CC3=C1CCc1cc(Nc3cccnc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VADGEXFAERNVJZ-YMSRPXOMSA-N", "SMILES:COCC[C@@]12CC[C@@]3(C)C[C@@H](O)CC3=C1CCc1cc(Nc3cncnc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYONIDBSOFHOHC-NJTBCWBZSA-N", "SMILES:COCC[C@@]12CC[C@@]3(C)C[C@@H](O)CC3=C1CCc1cc(Nc3ncc(C)nc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOZZTZCVCNVFEL-COFKYPDJSA-N", "SMILES:COCC[C@@]12CC[C@@]3(C)C[C@H](O)CC3=C1CCc1cc(Nc3cccnc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPAZODVMHJKUDX-COFKYPDJSA-N", "SMILES:COCC[C@@]12CC[C@@]3(C)C[C@H](O)CC3=C1CCc1cc(Nc3cnccc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYONIDBSOFHOHC-COFKYPDJSA-N", "SMILES:COCC[C@@]12CC[C@@]3(C)C[C@H](O)CC3=C1CCc1cc(Nc3ncc(C)nc3C)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCURJBBRMBNFML-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(-c2ccccc2OC2CCNCC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDIIDNLPGLLLA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(-c2ccc(OC3CCNCC3)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASVUEWFUOIULEY-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1csc(-c2ccc(C(=N)N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQRFCADPNQLAM-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1csc(-c2ccc(C(=N)N)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBIKEAZHCKDUCR-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1csc(-c2ccc(C(=N)N)nc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOFWJZJVPKKVOB-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccc(-c2cccc(C(=N)N)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDQAIGVYXMCOFN-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1ccc(-c2ccc(C(=N)N)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHQXJYOLULPBBH-UHFFFAOYSA-N", "SMILES:CNCCN(C)Cc1c[nH]nc1C1CCC2(CC1)CC(C)(C)CO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVPOYWKFNZUSLZ-NVQRDWNXSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALBPVVFHRWZNEG-XNIJJKJLSA-N", "SMILES:N=C(N)NCCCN(CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVNLNYAEXQZIR-LSCFUAHRSA-N", "SMILES:N=C(N)NCCCCN(CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDMCCWMSVOANNB-SCFUHWHPSA-N", "SMILES:N=C(N)NCCCCCN(CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1199038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXIQEXLEUJCLEV-URQYDQELSA-N", "SMILES:N=C(N)NCCCCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJNNCQSJBOESHI-NVQRDWNXSA-N", "SMILES:NCCCN(CCCNc1ncccn1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWUJVBSQHYBLFQ-HAXDFEGKSA-N", "SMILES:NCCCN(CCCNc1ccccn1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVWHRNNLXISVCS-KSQRGFQASA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCNc2ccccn2)CCC(N)C(=O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBIYXMGJKRKOU-DYFAZLMSSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NCC(=O)NC(CCCNC(=N)NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFJJATVTNKODK-CEABMZDFSA-N", "SMILES:N=C(NCCCCC(N)C(N)=O)NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABRJVGKVOBGTAS-NZDGWCKESA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)NCCCC[C@H](N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCWICYDMFMNLMB-IWBSYGCYSA-N", "SMILES:N=C(NCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(N)=O)NCCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCBJZKLSURWGHB-HQVHAMCOSA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)NCCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXHMPFZTQKVCJS-SBHGZHBVSA-N", "SMILES:N=C(NCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)NCCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYBBMQMIAHHFTA-VYAVQXPXSA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)NCCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBHWHFAOTRLOBC-YPBWLNGWSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)NCCN(CCC(N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVFDXAKHAVEZLQ-MDIHRKAASA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDJCKIQZPGRMPU-BHTVXMEHSA-N", "SMILES:CNC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMCWCHMDNHETP-JZIQWEJWSA-N", "SMILES:CCNC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWKOUDFRVBYUDW-JZIQWEJWSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)NCCF)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVDUMAYCEKGCRF-IVWYARBHSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)NCC(F)F)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOEJQDKXKGKJLB-BHTVXMEHSA-N", "SMILES:C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)NCC(F)(F)F)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXZKGIKFDXCRPH-AZWBBEIMSA-N", "SMILES:CC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZGAPKPALGTAM-AZWBBEIMSA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)CF)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSFQYZDKWTXPAX-BIJQIQHWSA-N", "SMILES:CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1Cc2c([nH]c3ccccc23)CN([C@@H](CC(=O)O)C(=O)NC2Cc3c([nH]c4ccccc34)CN(CC(=O)N3CCC[C@H]3C(=O)NCC(=O)NCC(N)=O)C2=O)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYISLLFBBWRQET-UHFFFAOYSA-N", "SMILES:CC(=O)ON(CCO)CC(=O)NCC(=O)N(CCCNC(=N)CCl)CC(=O)NCC(=O)N(CCCCN)CC(=O)NCC(=O)NCC(=O)N(CCCCN)CC(=O)NCC(=O)N(CC(=O)NCC(=O)N(CCCCN)CC(=O)NCC(=O)NCC(=O)N(C)CC(=O)N(CCCCN)CC(N)=O)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUCMNPRSHWSHOM-QWBQGLJISA-N", "SMILES:O=S(=O)(O)O[C@H]1[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OP(O)(O)=S)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCLOAHSDYNCIIG-ITGDANNXSA-N", "SMILES:O=S(=O)(O)O[C@H]1[C@H](OP(O)(O)=S)[C@H](OS(=O)(=O)O)[C@H](OP(O)(O)=S)[C@@H](OS(=O)(=O)O)[C@@H]1OP(O)(O)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1233511", "category": ["biolink:ChemicalEntity"], "name": "PHYTIC ACID", "xref": ["InChIKey:IMQLKJBTEOYOSI-GPIVLXJGSA-N", "SMILES:O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O"], "synonym": ["E391", "Fytic acid", "Acide fytique", "Acido fitico", "Alkalovert", "Dermofeel pa-3", "Exfoderm", "Fytic acid", "Inositol hexaphosphate", "Inositol hexaphosphoric acid", "Inositolhexaphosphoric acid", "Phytic acid", "NSC-269896", "Phytic acid solution"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5612522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUCMNPRSHWSHOM-KXXVROSKSA-N", "SMILES:O=S(=O)(O)O[C@@H]1[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OP(O)(O)=S)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOTOFXDNEHMWSQ-JMVOWJSSSA-N", "SMILES:O=S(=O)(O)O[C@@H]1[C@@H](OP(O)(O)=S)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OP(O)(O)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCLOAHSDYNCIIG-GBKPYZKPSA-N", "SMILES:O=S(=O)(O)O[C@H]1[C@H](OP(O)(O)=S)[C@@H](OS(=O)(=O)O)[C@H](OP(O)(O)=S)[C@@H](OS(=O)(=O)O)[C@H]1OP(O)(O)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVQDJHHHHBBFFR-GPIVLXJGSA-N", "SMILES:OP(O)(=S)O[C@H]1[C@H](OP(O)(O)=S)[C@@H](OP(O)(O)=S)[C@H](OP(O)(O)=S)[C@@H](OP(O)(O)=S)[C@H]1OP(O)(O)=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQQWKAPXNBNEJY-DUMGWNBUSA-N", "SMILES:O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H](OCc2ccccc2)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPPDFJJHYRWMHD-UHFFFAOYSA-N", "SMILES:COc1ccc2c(ccn2S(=O)(=O)c2ccc(C(=O)NO)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVCCAKXGHEKQP-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(S(=O)(=O)n2ccc3cc(OCc4ccccc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKXOTOAMDAIXAM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(S(=O)(=O)n2ccc3cc(OCCCN4CCCCC4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLTMLUZWBIWFLU-UHFFFAOYSA-N", "SMILES:C#CCN1CCN(CCCOc2ccc3c(ccn3S(=O)(=O)c3ccc(C(=O)NO)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIUPOKYBQOXKTF-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(S(=O)(=O)n2ccc3cc(OC)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWLJMSQVBCNCC-UHFFFAOYSA-N", "SMILES:CCCNNC(=O)c1ccc(S(=O)(=O)n2ccc3cc(OCCCN4CCCCC4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBADGOOZZBNCRM-UHFFFAOYSA-N", "SMILES:C#CCN1CCN(CCCOc2ccc3c(ccn3S(=O)(=O)c3ccc(C(=O)NNCCC)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKAWPXSGKMTDMD-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(S(=O)(=O)n2ccc3cc(OCc4ccccc4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUGEXCSSDWUML-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(S(=O)(=O)n2ccc3cc(OCCCN4CCCCC4)ccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGBHOVNURIPVBG-UHFFFAOYSA-N", "SMILES:C#CCN1CCN(CCCOc2ccc3c(ccn3S(=O)(=O)c3ccc(C(=O)Nc4ccccc4N)cc3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4173258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQDGCGNKNJWZHP-UHFFFAOYSA-N", "SMILES:C#CCN(C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLJNXRHUWISSJS-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2ccc(CC(=O)O)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGTRVGNITUCJLT-UHFFFAOYSA-N", "SMILES:N#CCc1ccc(-c2ccc(CC(=O)O)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMWMMKXREPMCGY-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ccc(CC(=O)O)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKIUMYIPRMAXGV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2ccc(CC(=O)O)cc2)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITIDBHVMJFRKLK-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZULKZINCHHUSH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(CC(=O)O)cc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXKACGIZGHPAJ-UHFFFAOYSA-N", "SMILES:CCOc1cc(-c2ccc(CC(=O)O)cc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLADOUMOXFOAA-UHFFFAOYSA-N", "SMILES:N#Cc1cc(-c2ccc(CC(=O)O)cc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWVBJRVWMXZHO-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2cc(F)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAVVAUOBRVKZHY-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccc(CC(=O)O)cc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEUAWKOTJGXNCU-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2cc(CO)cc(C(F)(F)F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARBREESDSAOWAV-UHFFFAOYSA-N", "SMILES:Cc1cc2c(cc1-c1ccc(CC(=O)O)cc1)C(C)(C)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQQOJKVOGWVKSU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccc(CC(=O)O)cc2)c(C)c2c1CCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XINUVCUDTFUXSC-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)C(F)(F)F)c2cc(-c3ccc(CC(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQTYVNXWEIJCKZ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2cc(C(F)(F)F)c3[nH]ncc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXANRAASKYBGL-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc3c(cnn3C3CCCCO3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXWSNKXCIRNJEO-UHFFFAOYSA-N", "SMILES:Cn1c2ccccc2c2ccc(-c3ccc(CC(=O)O)cc3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJVIKDDOYTVVEJ-UHFFFAOYSA-N", "SMILES:O=C(O)Cc1ccc(-c2ccc(C(F)(F)F)cc2OCc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAFCBKRPHHBNBM-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2ccc(CC(=O)O)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4537171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLXAZQJEBYTDCD-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N1N=CCC1c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQYSQWJSFUUTDQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2CC=NN2C(=O)C(C)(C)C)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQGZHBKSNKEBFG-UHFFFAOYSA-N", "SMILES:CC(C)(C)C(=O)N1N=CCC1c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL383605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLKODKITOFTOSQ-UHFFFAOYSA-N", "SMILES:CN1C(=O)NC(Cc2c[nH]c3c(F)cccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSEHFYIQZPAQJI-RNSRFYLLSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDHIPMCYCJBLDE-PEAZFSKXSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCBGKZJLDJDWTF-LERHPAPTSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGVGNLMIKBUFML-LXWZPLCDSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYQCSACIWANXJP-LXWZPLCDSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBVIMGVEJPNXAE-HMDCEGGCSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHTUQEDNJHPCAB-CWAHSWPCSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKLMOXPSYQXOU-CJTTUOQBSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWMRJRLHLWSEEA-XNSKWIDHSA-N", "SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHRYDSPFXVRTNK-VVDUTLSKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDJMCAZGQWXLAG-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)C2CCN(c3ncc(C(=O)NO)cn3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPGWGYVVWUBHCC-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCC(=O)NO)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSRVDKOASZPDP-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCCC(=O)NO)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBYZEDAEHQKQFA-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCCCC(=O)NO)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWVPOARQDSWOO-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCCCCC(=O)NO)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPSHNBZNRIQYKP-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCCCCCC(=O)NO)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDNFNUJTYYBJP-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCCCCCCC(=O)NO)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRRGDXTZEFKUHH-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)c3ccc(C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPISCCMQTQTIKP-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCC(=O)Nc3ccc(C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZPNKVNOLJNLT-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCCC(=O)Nc3ccc(C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIXUWHUOAIZZAZ-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCCCC(=O)Nc3ccc(C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIHNUWOEXNQSSB-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCC(=O)NCc3ccc(C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNXGDQOIWXGHNM-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCCC(=O)NCc3ccc(C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHZDTCJIHPSHQE-JLHYYAGUSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCC(=O)Nc3ccc(/C=C/C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBQREOGJEITWBM-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NCc3ccc(C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNAISNVVIAELMJ-OUKQBFOZSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NCc3ccc(/C=C/C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDEDNOBIIYTHTP-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NCc3ccc(C(=O)NCc4ccc(C(=O)NO)cc4)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFKKBWPYDRHSSF-SAPNQHFASA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NCc3ccc(C(=O)NCc4ccc(/C=C/C(=O)NO)cc4)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSEABKBMRVSKPB-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(Nc3ncc(C(=O)NO)cn3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAZQVPRCURXNSI-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)CCCC(=O)Nc3ccccc3N)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUPYGFIGDCCFMH-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYDRHIDTPGRIL-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NC(=O)Cc3ccc(C(=O)Nc4ccccc4N)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJTYGRCGPMWLRM-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(NCc3ccc(C(=O)Nc4ccccc4N)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNKHRZYILDZLRE-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(N)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVEPBOKBNYODIY-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(CN(C)C2CCN(c3ncc(C(=O)NO)cn3)CC2)nc(SC(C(N)=O)c2ccccc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZEAGOZXSJOJQO-OUKQBFOZSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCN(Cc3ccc(/C=C/C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXHRQVZGNSLMQ-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCN(c3ncc(C(=O)NO)cn3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDZJSGIPIWFAU-OUKQBFOZSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CNCc3ccc(/C=C/C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBSHMEHQTGVKHS-UHFFFAOYSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CNc3ncc(C(=O)NO)cn3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJUYDXDQSSGGTQ-BUHFOSPRSA-N", "SMILES:CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCNCc2ccc(/C=C/C(=O)NO)cc2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDZJSGIPIWFAU-SHPZBJSMSA-N", "SMILES:CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N2CCC(CNCc3ccc(/C=C/C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODDZJSGIPIWFAU-AMYCCCOXSA-N", "SMILES:CCc1c(C#N)c(S[C@H](C(N)=O)c2ccccc2)nc(N2CCC(CNCc3ccc(/C=C/C(=O)NO)cc3)CC2)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYSBKAHWEATMCQ-UHFFFAOYSA-N", "SMILES:CN(CCc1cccc2cccc(O)c12)C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVSJXWIIUMKNFI-UHFFFAOYSA-N", "SMILES:CCN(C)CCc1cccc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSUDMRFNVJEXBE-UHFFFAOYSA-N", "SMILES:CN(C)CCc1cccc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCNJNCVFOAYDDT-UHFFFAOYSA-N", "SMILES:CCN(C)CCc1cccc2ccc(OC)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRMLYYUFOZRQBA-UHFFFAOYSA-N", "SMILES:CC(C)N(C)CCc1cccc2cccc(O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZRRPGKRURMCL-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCCc2cccc3ccc(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQCFCMOGESMNGV-UHFFFAOYSA-N", "SMILES:COc1ccc2cccc(CCN(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHMBAMMJPVEETG-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2cn3c(n2)CN(S(=O)(=O)c2csc4ccccc24)CC3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXNNVLAOBNTYLV-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)cc1S(=O)(=O)N1CCc2[nH]nc(-c3ccc(F)c(N)c3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFLJALJHOYQOL-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1nc(-c2cccc(Br)c2)nc2ccccc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FARRDVPMFIODCK-UHFFFAOYSA-N", "SMILES:O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ncc(Br)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XROVVKJPFPZJGL-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(Cl)cc1C(=O)NC1CCN(c2ccccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUJBNAAFLJKNAO-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ccc(N2CCC(NCc3csc4ccccc34)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDMGXLSBTJPVQE-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2ccc3nc(NC(=O)c4cn[nH]c4)c(C)cc3c2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZGWKXHWYPZALZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJWGGFMWIDLDQV-UHFFFAOYSA-N", "SMILES:CCc1ccc(OC)c(S(=O)(=O)N2CCc3[nH]nc(-c4ccc(F)c(N)c4)c3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENUNCYKJHUKHJ-UHFFFAOYSA-N", "SMILES:Nc1cc(-c2n[nH]c3c2CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC3)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPPIMJJPEOOJLN-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)N2CCc3[nH]nc(-c4ccc(F)c(N)c4)c3C2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUGSZHIYGQMSTI-UHFFFAOYSA-N", "SMILES:O=S(=O)(NCCNc1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc12)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPHAXXFFOPXSP-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCNc2nc(-c3ccccc3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXMWAAYULOXCOE-UHFFFAOYSA-N", "SMILES:COc1ccc(Cl)c2sc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFZWBLIGZZRLS-UHFFFAOYSA-N", "SMILES:CCCS(=O)(=O)Nc1nc2ccc(-c3ccc(OCC)cc3F)cc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NATHHKQEEGWJPW-UHFFFAOYSA-N", "SMILES:CCOC(=O)CS(=O)(=O)Nc1nc2ccc(-c3ccc(OCC)cc3F)cc2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL497501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOZOEVMWLCTNJB-OJRZISNZSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1ccc2c(c1)c(=O)c(C(=O)/C=C(\\O)C(=O)O)cn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APIOKBMGYJFPOL-JWZUQALGSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1ccc2[nH]cc(C(=O)/C=C(\\O)C(=O)O)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXWLVDUWJMCAIJ-GIUJBALDSA-N", "SMILES:CN(C)c1cc2c(cc1C(=O)/C=C(\\O)C(=O)O)c(=O)c(C(=O)/C=C(\\O)C(=O)O)cn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJJZSWUPBGSMRA-CPGLPWGESA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1ccc2c(c1)c(=O)c(C(=O)/C=C(\\O)C(=O)OCC)cn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2236593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDOMOEQBSFVZTE-PEMJCMRISA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1ccc2[nH]cc(C(=O)/C=C(\\O)C(=O)OCC)c(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGBXHLBEZSVXTA-IFADSCNNSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cc2c(=O)c(C(=O)/C=C(\\O)C(=O)OCC)cn(Cc3ccc(F)cc3)c2cc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUQDUYHHDVYXMI-MALYEEFDSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cc2c(=O)c(C(=O)/C=C(\\O)C(=O)OCC)cn(Cc3ccc(F)cc3)c2cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLHZHOHMZIJLR-MSXFZWOLSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLLFHNAQYNGPAS-NTFVMDSBSA-N", "SMILES:CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(C(=O)c3ccc(C(=O)OCC)cc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKGFEYFUXMKAAF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(OCc4ccccc4)cc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMHRUFDQHJIKSQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(OCc4ccccc4)cc3)cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPSXIDRESVOFJM-JOCHJYFZSA-N", "SMILES:COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYKCQXJNATVIHI-OAQYLSRUSA-N", "SMILES:CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSFZVUOOZAXUPC-JOCHJYFZSA-N", "SMILES:CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMFVNLILIRQEAP-JOCHJYFZSA-N", "SMILES:CNS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSHWQFHGOSVNPE-XMMPIXPASA-N", "SMILES:CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSHNBVWAXUKSER-JOCHJYFZSA-N", "SMILES:O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(-c3ccccc3Cl)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFNTZIQCGXXPIX-JOCHJYFZSA-N", "SMILES:COc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTMURRFBTWNZHJ-SHGGLHHZSA-N", "SMILES:CS(=N)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIRCZQRIKKQTKV-HSZRJFAPSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFASOYKYCUYTRT-HSZRJFAPSA-N", "SMILES:CN(c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXYMQQCFMVHFIJ-HSZRJFAPSA-N", "SMILES:CS(=O)(=O)Nc1cccc(-c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(C(F)(F)F)cc4)C3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBUWMWLEWOSFT-OAQYLSRUSA-N", "SMILES:CS(=O)(=O)Nc1ncccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXJUOFHCLKDII-XMMPIXPASA-N", "SMILES:COc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXYIJCHEZYOBLZ-HSZRJFAPSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWPUJDZGTZBBGP-HSZRJFAPSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLTAGSMNLDRFNZ-HSZRJFAPSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXKKTQYXYQCLC-HSZRJFAPSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXXCNXOXHKKCAT-HSZRJFAPSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQOULAYTSCHUII-OAQYLSRUSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cn3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJKNZWLOAKXRU-JOCHJYFZSA-N", "SMILES:COc1cnc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3)C2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCXHHVNTEDLXFE-JOCHJYFZSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OELALACNKRMDRC-HXUWFJFHSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)c(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMSZVZPEBVPES-JOCHJYFZSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1cc(F)c(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLBKQMJVPCVDG-JOCHJYFZSA-N", "SMILES:CS(=O)(=O)Nc1ccccc1-c1cc(F)c(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVVCWHNWISHTIJ-SNVBAGLBSA-N", "SMILES:C#Cc1ncc(F)c(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKNMNBDBXUQROL-GFCCVEGCSA-N", "SMILES:C=Cc1cc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)nc(COC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQYISYRKZTJRF-OAHLLOKOSA-N", "SMILES:C=Cc1ncc(COC2(C)CCC2)c(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQFCYNIFDYXONJ-OAHLLOKOSA-N", "SMILES:C#Cc1cc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YETBMUOJAIZBLY-GFCCVEGCSA-N", "SMILES:C[C@@H]1CNc2c(sc3ccc4nc(-c5cc(Cl)nc(C#CC(C)(C)N)n5)ccc4c23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FENAYSJQMSOLHM-LLVKDONJSA-N", "SMILES:C#Cc1cc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)c(C(F)F)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWRSVHUIDMAEHB-QGZVFWFLSA-N", "SMILES:C=C(CN1CCCC1)c1cc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKRFWZRSIUXYOG-CQSZACIVSA-N", "SMILES:C[C@@H]1CNc2c(sc3ccc4nc(-c5ccnc(C#CC(C)(C)N)c5)ccc4c23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGRAOTDXRNYSHM-MRXNPFEDSA-N", "SMILES:C=C(CN1CCOCC1)c1cc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBWCIORHCHPDPA-KZNAEPCWSA-N", "SMILES:C=Cc1cc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cc(CN2C[C@@H](C)O[C@H](C)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVMDXYYSTFZQTH-LLVKDONJSA-N", "SMILES:C=Cc1nc(C)cn1-c1ccc2c(ccc3sc4c(c32)NC[C@@H](C)NC4=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKZIWSCAZRXXEI-SNVBAGLBSA-N", "SMILES:C=Cc1nnc(C)n1-c1ccc2c(ccc3sc4c(c32)NC[C@@H](C)NC4=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUCYWKIPKMCRTR-LLVKDONJSA-N", "SMILES:C=Cc1nccn1-c1ccc2c(ccc3sc4c(c32)NC[C@@H](CF)NC4=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUJWAYPDJMBJRZ-MRXNPFEDSA-N", "SMILES:C=Cc1cc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)c(CN2CC3(COC3)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COIZSQBUAOCLMK-PLNFTNRRSA-N", "SMILES:C[C@@H]1CN2CC[C@H]1n1c(nc3cc(Cl)ccc31)O[C@H]1C[C@@H](C(=O)O)N(C1)c1nc(nc3c1oc1ccccc13)CCOCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYZXGPHMLLRDAN-TZOBERNZSA-N", "SMILES:CC(=O)[C@@H]1C[C@H]2CN1c1nc(nc3c1oc1ccccc13)CCOCCCC(=O)N1CC[C@@H]([C@@H](C)C1)n1c(nc3cc(Cl)ccc31)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLXCKGVUCDJWGF-KEBMUCTBSA-N", "SMILES:C[C@H]1CN2CC[C@@H]1n1c(nc3cc(Cl)ccc31)O[C@H]1C[C@@H](C(=O)O)N(C1)c1nc(nc3c1oc1cc(Cl)ccc13)CCOCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOJMECFZRCOHHH-WRVHCEFRSA-N", "SMILES:C[C@H]1CN2CC[C@@H]1n1c(nc3ccccc31)O[C@H]1C[C@@H](C(=O)O)N(C1)c1nc(nc3c1oc1ccccc13)C(F)(F)CCCCC(F)(F)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URARPPGCMARVNX-PMYHVQSLSA-N", "SMILES:C[C@H]1CN2CC[C@@H]1n1c(nc3ccccc31)O[C@H]1C[C@@H](C(=O)O)N(C1)c1nc(nc3c1oc1cc(Cl)ccc13)C(F)(F)CCCOCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLRQHOHKYWQLY-APAYAGTCSA-N", "SMILES:Cc1cccc2c1nc1n2[C@@H]2CCN(C[C@H]2C)C(=O)CCCCCC(F)(F)c2nc(c3oc4ccccc4c3n2)N2C[C@H](C[C@H]2C(=O)O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSSFUESIVBIHPL-ROBHXDBVSA-N", "SMILES:C[C@H]1CN2CC[C@H]1n1c(nc3ccccc31)O[C@H]1C[C@@H](C(=O)O)N(C1)c1nc(nc3c1oc1ccccc13)C(F)(F)COCCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKJAHVJQYYCGFA-PMYHVQSLSA-N", "SMILES:C[C@H]1CN2CC[C@@H]1n1c(nc3cc(Cl)ccc31)O[C@H]1C[C@@H](C(=O)O)N(C1)c1nc(nc3c1oc1ccccc13)C(F)(F)OCCCCC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQRWOAKIGDWWNQ-FAWCNTJRSA-N", "SMILES:C[C@@H]1CN2CC[C@H]1n1c(nc3ccccc31)O[C@H]1C[C@@H](C(=O)O)N(C1)c1nc(nc3c1oc1ccccc13)CCCCCOC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDUUBHAPIWQHBR-CUBKFYFCSA-N", "SMILES:C[C@H]1CN2CC[C@@H]1n1c(nc3ccccc31)O[C@H]1C[C@@H](C(=O)O)N(C1)c1nc(nc3c1oc1ccccc13)CCCCCN(C)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMNNOJOUWGQFLL-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2ccc(Br)cc2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYLXTIDWXWYAFI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(Oc2ccc(Br)cc2Br)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKHIQBWDOLLVGN-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Oc2ccc(C(=O)O)cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVXNJKBCHQBVJR-UHFFFAOYSA-N", "SMILES:COc1cccc(Sc2ccc(C(=O)O)cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBHXINPEIJYCSQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2ncc(C(=O)O)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXVJOBRFFPECIQ-UHFFFAOYSA-N", "SMILES:CCc1ccccc1Oc1ncc(C(=O)O)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYACRSZSMSCYRK-UHFFFAOYSA-N", "SMILES:Nc1cc(C(=O)O)cnc1Oc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHEBFDQISSQBDM-UHFFFAOYSA-N", "SMILES:Nc1cc(C(=O)O)cnc1Oc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQSIPFLXXSLNKI-UHFFFAOYSA-N", "SMILES:Nc1cc(C(=O)O)cnc1Oc1ccc(Br)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNUHNVHMMGUZLD-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1ncc(C(=O)O)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHSRGBGTFSISCP-UHFFFAOYSA-N", "SMILES:COc1cccc(Oc2ncc(C(=O)O)cc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCUDQFOLKRWPEZ-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(Oc2ncc(C(=O)O)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVWAJNHWEINAON-UHFFFAOYSA-N", "SMILES:CCC(=O)c1ccc(Oc2ncc(C(=O)O)cc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAEWDKDRWCEDDZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Sc1ncc(C(=O)O)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MESYKGQIEHKKDJ-UHFFFAOYSA-N", "SMILES:COc1cccc(Sc2ncc(C(=O)O)cc2N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSVWNGXELTZID-UHFFFAOYSA-N", "SMILES:Nc1cc(C(=O)O)cnc1Sc1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDJVEQITUWZDT-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)O)cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1417454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAMUDXNFZBUNHO-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(=O)O)cn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5612355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCNYUXSMWLYJDQ-UHFFFAOYSA-N", "SMILES:COc1ncc(C(=O)O)cc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQRGEOLKBRTALB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSNIWFWYEFQRGS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIGCKKIWRZXFW-YLJYHZDGSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O[C@@H]2CC[C@@H](N)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCTXXDDIJLFNU-RRMPHLOHSA-N", "SMILES:C=CC(=O)N(c1ccc(O[C@@H]2CC[C@@H](N)C2)cc1)[C@@H](C)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUNQZBSJKCTTNE-RRMPHLOHSA-N", "SMILES:C=CC(=O)N(c1ccc(O[C@@H]2CC[C@@H](N)C2)cc1)[C@@H](C)c1ccc(C(F)(F)F)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDRNIXPBYXAPIY-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(Cc1ccc(OC)cc1)c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDOKWZDINASMAH-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(Cc1ccc(OC)cc1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIGCKKIWRZXFW-PXNSSMCTSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O[C@H]2CC[C@H](N)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCIGCKKIWRZXFW-XLIONFOSSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O[C@H]2CC[C@@H](N)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPBPBSIMULDSLA-WIYYLYMNSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O[C@@H]2CC[C@@H](NC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNUBPMMZIOHFOG-IFMALSPDSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O[C@@H]2CC[C@@H](N(C)C)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPFKVPNFCOWVQO-DENIHFKCSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O[C@@H]2CC[C@@H](NC(C)=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRTSFBQBNGUUGD-FYYLOGMGSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O[C@@H]2CC[C@@H](N(C)C(C)=O)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INWBKDYXEKNFQQ-WIYYLYMNSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)cc1)c1ccc(O[C@@H]2CC[C@@H](NC(=O)NC)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTCLEDKBYUJACP-YLJYHZDGSA-N", "SMILES:C=CC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(O[C@@H]2CC[C@@H](N)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVAMTFVOOFYMOP-YLJYHZDGSA-N", "SMILES:C=CC(=O)N(Cc1ccc(Cl)c(C#N)c1)c1ccc(O[C@@H]2CC[C@@H](N)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTRAVKRZRZUTQE-YLJYHZDGSA-N", "SMILES:C=CC(=O)N(Cc1ccc(C(F)(F)F)c(C#N)c1)c1ccc(O[C@@H]2CC[C@@H](N)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTONNMPIPBVBQK-YLJYHZDGSA-N", "SMILES:C=CC(=O)N(Cc1ccc(C#N)c(Cl)c1)c1ccc(O[C@@H]2CC[C@@H](N)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDCTXXDDIJLFNU-FQELHTAISA-N", "SMILES:C=CC(=O)N(c1ccc(O[C@@H]2CC[C@@H](N)C2)cc1)[C@H](C)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUNQZBSJKCTTNE-FQELHTAISA-N", "SMILES:C=CC(=O)N(c1ccc(O[C@@H]2CC[C@@H](N)C2)cc1)[C@H](C)c1ccc(C(F)(F)F)c(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMJDBRQNFXCCX-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)Nc1ccc2nc(-c3ccc4c(c3)OCO4)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGNOLZIRANVCEH-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc2nc(-c3ccc4c(c3)OCO4)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXNBBSJEUSVGER-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)Nc1ccc2cc(-c3ccc4c(c3)OCO4)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMJKWEBNPJWYPB-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc2cc(-c3ccc4c(c3)OCO4)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSNREOCCWJUAS-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)Nc1ccc2ncc(-c3ccc4c(c3)OCO4)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVAXLVHROVDYKE-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc2ncc(-c3ccc4c(c3)OCO4)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLQISTOENYGXPK-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)Nc1ccc2cc(-c3ccc4c(c3)OCO4)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMOSRRMRFXUZIH-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc2cc(-c3ccc4c(c3)OCO4)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLLADWUABJZTNT-UHFFFAOYSA-N", "SMILES:CC(C)CNC(=O)Nc1ccc2c(c1)NCC(c1ccc3c(c1)OCO3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSBEVMESJKMHW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JARTVUITONTQQV-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUGZZFJNPCINSR-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc2cc(-c3cccc(OC(F)(F)F)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVUKWDXVVOKBHD-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAUDYOXNEPBADL-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDGCBVJWWARBJM-UHFFFAOYSA-N", "SMILES:CN(C)Cc1ccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMPNPAUKHGQYME-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(-c3cnc4cc(NC(=O)NCC5CCOCC5)ccc4c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWOIGDACCBEMMX-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGPRLIKHJCTCDM-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc2cc(-c3cccc(C(=O)O)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTFPVRKELGPEOA-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYCIJWZFOLMCER-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccn1)Nc1cccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCOIURWGABAZRL-UHFFFAOYSA-N", "SMILES:O=C(Cc1cccnc1)Nc1cccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVUYVWHDYONEFG-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cl)nc1)Nc1cccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDYQWUGDZSMIC-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCOCC1)Nc1ccc2cc(-c3ccncc3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKUQJVNJMXTLKE-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC(C)C)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYFFGJUTSHTICD-CYBMUJFWSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NC[C@@H](C)O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYFFGJUTSHTICD-ZDUSSCGKSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NC[C@H](C)O)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQXKIWUXMWMTIS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCCN(C)C)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMWAIRZHSVHJK-UHFFFAOYSA-N", "SMILES:COC(=O)C(C)(C)CNC(=O)Nc1ccc2cc(-c3cc(OC)cc(OC)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOWHGPDEHCMVQR-UHFFFAOYSA-N", "SMILES:CCC(=O)NCCCCNC(=O)Nc1ccc2cc(-c3cc(OC)cc(OC)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPJFKCEPJXDBW-LJQANCHMSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NC[C@H]4CCCO4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTPJFKCEPJXDBW-IBGZPJMESA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NC[C@@H]4CCCO4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSLDMIKUVGKJLF-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCCC4CCOCC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFHAFSQJHCVPDJ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NNC4CCOCC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJYIRAHVKGGSIA-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(NC(=O)Nc2ccc3cc(-c4cc(OC)cc(OC)c4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVLTYNVLGYJOTQ-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4cc(OC)cc(OC)c4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAEDSXAZCUWEIH-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CCNC(=O)Nc2ccc3cc(-c4cc(OC)cc(OC)c4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCBIWSUTBRKLHK-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCN(C(=O)C(F)(F)F)CC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOHFBBUIMMHUQS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCN(C(=O)C5CC5)CC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADPVSLZTWBGEH-SFHVURJKSA-N", "SMILES:CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc3cc(-c4cc(OC)cc(OC)c4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNRKWUQSOZMKKI-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCN(C(=O)OCc5ccccc5)CC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIIQKTNPWOBGAZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCN(C)CC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHGTYUXXNEKJT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCNCC4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKQHWECDURQVRA-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)Nc4ccc(OC(F)(F)F)cc4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOUQJQJVXDBXIY-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDAHAYFXMFWNAS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)F)cc4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYRBDTKBKZFNRS-UHFFFAOYSA-N", "SMILES:COc1ccc(CNC(=O)Nc2ccc3cc(-c4cc(OC)cc(OC)c4)cnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNQSAMMWWAWLKH-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccc(S(N)(=O)=O)cc4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXLXWHHEZXHRW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccc(S(C)(=O)=O)cc4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRHUZSTZQDLHPZ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccc(C#N)cc4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOGNZMSHOQXAFU-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccncc4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZACUWZRQKOQEMW-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccccn4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIAZJMJVWSIBHH-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc5c(c4)OCO5)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFQUAYRSVWHSFV-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(OC)c(OC)c4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNTKFYVDVSHQEV-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4cccc(OC)c4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIARPNJYLSHEEC-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4cccc(OC(F)(F)F)c4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMYSMZRZAZZJGR-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(OC(F)(F)F)cc4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDPBHEDFGGIKMN-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(C#N)cc4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGIILFYQFIUJV-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(CN(C)C)cc4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNNSQWSKEVAKGV-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(N5CCN(C)CC5)cc4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APQLLMQJTDLFHB-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(C(C)=O)cc4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLNPMNIRFBPSIZ-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(S(N)(=O)=O)cc4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKHBUDVWHKCGJY-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(S(C)(=O)=O)cc4)cnc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOQMGFOSKXTZGR-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1ccc2cc(-c3ccc4c(c3)OCO4)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBGYWVUUTMLDOM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUNZUGERSMKIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJQMLJUVJBSXTL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGRYCLBJBZTYQV-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLVKAWRCJJXUQR-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTKMRLLNPXGZEZ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1ccc2cc(-c3cccc(OC(F)(F)F)c3)cnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYBDYPXGODNOS-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKGAQJQTIHJBOZ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYGNYNWFXZMWOQ-NVQRDWNXSA-N", "SMILES:N=C(NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBLOJJICRSGZRU-SCFUHWHPSA-N", "SMILES:N=C(NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBAVGJRISOLREX-SCFUHWHPSA-N", "SMILES:N=C(NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(I)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAOYFGCZLHEXFB-NVQRDWNXSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTPOXWXTHQVJKG-WVSUBDOOSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQWOWQLEZNBVFC-NVQRDWNXSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWCYVXMBJPKBQW-UMCMBGNQSA-N", "SMILES:N=C(NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZMRUSCRZLXPGX-UMCMBGNQSA-N", "SMILES:N=C(NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSRZCQIKBROSIT-WGQQHEPDSA-N", "SMILES:N=C(NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccoc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHWPZQQMPKZGPY-UMCMBGNQSA-N", "SMILES:N=C(NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIJXRVWUFRFALL-PTGPVQHPSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccc(O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEYIEWVKCKYWPH-PTGPVQHPSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccc(Cl)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAXLBTYXKQKUPE-VBHAUSMQSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccc3c(c2)OCCO3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTSGFVRDTPQBML-PTGPVQHPSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTTMJGUQOQVZGH-ZDXOVATRSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccoc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUKQKGRYRJHOJH-PTGPVQHPSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2cccc(F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFQWSNIBIXUUTK-PTGPVQHPSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccc(F)cc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALVTITXIDOHQR-PTGPVQHPSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccc(F)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBOREUMWSGOZTG-UMCMBGNQSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2cccnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNZLCESQBCCCNO-FGSUIDRYSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2ccc(F)nc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTFQVNIQQUXKPL-ZDXOVATRSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2cncnc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMKAIENQBZLXMI-PTGPVQHPSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYWNIFQBINNWGD-CIVUBGFFSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1cccc(-c2n[nH]cc2C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLMNXFLLATXWFL-HUBRGWSESA-N", "SMILES:CCCCNC(=N)NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADUPVLCUSNHKLL-PTGPVQHPSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFGQXRNXFOGILT-HUBRGWSESA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)NC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYGUVBVJIFKEK-VBHAUSMQSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQAVLYRUPCSSKG-ZYWWQZICSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFITTQLOLIBSE-HUBRGWSESA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)NCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKHGUWAQRPIXLI-VBHAUSMQSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)NCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKBXZQBJKLHERZ-PTGPVQHPSA-N", "SMILES:N=C(NCCCO)NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNVDGDXYFSJYOM-PTGPVQHPSA-N", "SMILES:N=C(NCCCN)NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBXGQLBVQAFIGZ-ZYWWQZICSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPOWNUBTEUDKTK-CTDWIVFPSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOZGRSFFXVWCJD-BQOYKFDPSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)NCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIUOMQKRKAOPB-QWOIFIOOSA-N", "SMILES:N=C(NCCCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)NCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTFOOFWJWOBJJY-NVQRDWNXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)NCc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIWPBACAEGLIGE-NVQRDWNXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)NCc2ccc(F)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVEFVGBDFYZLDZ-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSKNXBOTXFTLEM-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)Nc2ccc(F)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSFXMIRMVXDLFW-SCFUHWHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)Nc2ccccc2Br)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNRNDZHFGTYIK-NVQRDWNXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)NCc2ccccc2Br)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGFTVBMOETWOQF-NVQRDWNXSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(Br)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALKHEIOXYUYXFX-PTGPVQHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3ccc(Cl)cc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCEAEQGEZQXJBH-PTGPVQHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3ccc(O)cc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRWNXWZXAHBQND-PTGPVQHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3cccc(F)c3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRYVOCXRDNXWLW-ZDXOVATRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3ccoc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZWKKVJSQAOLPJ-PTGPVQHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKQMEPYFOCHAD-PTGPVQHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3ccc(F)c(O)c3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCFWTYCVBCBOQB-ZDXOVATRSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3cncnc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZURSGIVGDHUQW-VJUOEERUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3cccc4cn[nH]c34)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSMGYUPFXAPIMF-PTGPVQHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3cccc(O)c3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUHPMGGUCMOICH-PTGPVQHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3ccccc3O)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWWZTQKTWHSKIG-UMCMBGNQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(-c3ccncc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDVNZVEPVPEHT-PTGPVQHPSA-N", "SMILES:Nc1cccc(-c2cccc(CNCCSC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHYIZIPPSUZZSB-HUBRGWSESA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCc2cccc(-c3ccc(Cl)cc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMAZLZJFOSMST-HUBRGWSESA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCc2cccc(-c3ccc(O)cc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYMIKFGVDFQPG-HUBRGWSESA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQDYZIDSOHSXLC-UMCMBGNQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCc2cccc(-c3ccoc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQTGZPXHRGGSEQ-HUBRGWSESA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCc2cccc(-c3cccc(F)c3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXMNEUJRCCJCS-HUBRGWSESA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCc2cccc(-c3ccc(F)c(O)c3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JADNWLSFQKJEFE-UMCMBGNQSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCc2cccc(-c3cncnc3)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPTPVBSJHKSURE-ZCIWVVNKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCc2cccc(-c3cccc4cn[nH]c34)c2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNAFSVGQLGQVQF-QTQZEZTPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)NCc2ccc3c(c2)OCO3)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANXUSUUIASLZJS-PTGPVQHPSA-N", "SMILES:Nc1ccc(-c2ccc(CNC(=O)NCCSC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHMDIJZMFNXHSQ-PTGPVQHPSA-N", "SMILES:Nc1cccc(-c2ccc(CNC(=O)NCCSC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLZAKGFGSFISOM-PTGPVQHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)NCc2ccc(-c3ccc(O)cc3)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KROMMWIFRSJKBQ-PTGPVQHPSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)NCc2ccc(-c3cccc(O)c3)cc2)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHXAYQRQJIQHLZ-RYQFBYIDSA-N", "SMILES:COc1cc2nc(-c3ccc(Cl)cc3)nc(NCCSC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQMBOOJPMCEICG-RYQFBYIDSA-N", "SMILES:COc1cc2nc(-c3ccc(O)cc3)nc(NCCSC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQFRQLWUXSTHHK-KYLPPQTDSA-N", "SMILES:N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCNC(=N)NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVZZYZNFLHFCPI-SCFUHWHPSA-N", "SMILES:N=C(NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)Nc1ccccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQTXCWFNGKSECD-NUSPHQLESA-N", "SMILES:CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(CCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)Cc2cccc(Br)c2)=C(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKPHQCBSFICVLB-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)ccc2nc(-c3cccc(CNCCO)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CESAHSNLBSIVNQ-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2)ccc2nc(-c3cccc(CNCCN(C)C)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGJXSLBXXUELRJ-UHFFFAOYSA-N", "SMILES:OCCNCc1cccc(-c2nc3ccc(-c4ccccc4)cc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUXHGBQAUBFQHK-UHFFFAOYSA-N", "SMILES:CC(=O)NCCNCc1cccc(-c2nc3ccc(-c4ccccc4)cc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQPVKRHJGZGIU-UHFFFAOYSA-N", "SMILES:CN(C)CCNCc1cccc(-c2nc3ccc(-c4ccccc4)cc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFVIGSDLCCUQF-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCFOALKPWSHSPT-UHFFFAOYSA-N", "SMILES:OCCNCc1cccc(-c2nc3ccc(-c4ccccc4F)cc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSDWWWMQADUPAY-UHFFFAOYSA-N", "SMILES:OCCNCc1cccc(-c2nc3ccc(-c4cccc(F)c4)cc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMVJQXSIAHMWRY-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRZKTNNTLGDUTH-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccccc2F)ccc2nc(-c3cccc(CNCCO)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKJGSTAOYZWSPD-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cccc(F)c2)ccc2nc(-c3cccc(CNCCO)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXOLLQSZRCMQQH-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCN2CCOCC2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRQWYMOVNYITA-RUZDIDTESA-N", "SMILES:Cc1c(OCCCN2CC[C@@H](O)C2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5611916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPQROLOUHJVID-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCN2CCC(O)CC2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVNCLMJFXTQDM-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCN2CCOCC2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAPVCRPHRMNQRL-RUZDIDTESA-N", "SMILES:Cc1c(OCCCN2CC[C@@H](O)C2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRKUCJFGTWPRN-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCN2CCC(O)CC2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHVNRZWCZHBDEF-UHFFFAOYSA-N", "SMILES:Cc1c(-c2cccc(OCCCN3CCC(O)CC3)c2)ccc2nc(-c3cccc(CNCCO)c3)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOXXXHJXFRSVOD-UHFFFAOYSA-N", "SMILES:OCCNCc1cccc(-c2nc3ccc(-c4cccc(OCCCN5CCC(O)CC5)c4)cc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRQWYMOVNYITA-VWLOTQADSA-N", "SMILES:Cc1c(OCCCN2CC[C@H](O)C2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGAODSQDVCHKIN-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCN2CC(O)C2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBSZDMKTGXMLTD-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCN2CCC(CO)CC2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYZPYOTUOMZULI-VWLOTQADSA-N", "SMILES:Cc1c(OCCCN2CC[C@H](C(=O)O)C2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYKAUDWAGCDYBC-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCN2CCC(C(=O)O)CC2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUJZQRISWIVEOB-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCN2CCNCC2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRWUNSAXMWFWJE-UHFFFAOYSA-N", "SMILES:Cc1c(OCCCN2CCC(N)CC2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXMVTEMAKKTFEA-RUZDIDTESA-N", "SMILES:Cc1c(OCCCN2CC[C@@H](N)C2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVHAWOKEASDOCV-UHFFFAOYSA-N", "SMILES:Cc1c(-c2ccc(CNCCO)cc2)cccc1-c1ccc2nc(-c3cccc(CNCCO)c3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJSYPOGEDUTOE-UHFFFAOYSA-N", "SMILES:COc1nc(-c2cccc(-c3ccc4nc(-c5cccc(CNCCO)c5)oc4c3)c2C)ccc1CNCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQBUTCPDHQVTA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNJMDTIFDRHCQT-UHFFFAOYSA-N", "SMILES:Nc1ccn(Cc2ccc(-c3cn(CCCCCCC(=O)NO)nn3)cc2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKOCJUBUNIOWOL-UHFFFAOYSA-N", "SMILES:COc1ccc2c3ccnc(C)c3n(CC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMUMVAZBDIDGON-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(C(C)C)cc3)cnc2NCc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPLYAOZWLRLLJX-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(=O)NO)cc1)Nc1ccc2ncnc(Nc3ccc(Cl)c(F)c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYSDSKITHKITIV-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(C(=O)NO)cc1)Nc1ccc2ncnc(Nc3ccc(I)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUCFIXVFMLVGOS-UHFFFAOYSA-N", "SMILES:COc1cc(OCCCCCCC(=O)NO)ccc1C1c2ccc(O)cc2CCN1CC(C)(C)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTQMQMGGPHOHV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(C(=O)N3CCc4c(cc(Cl)c(C(=O)NO)c4Cl)C3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSPSXNPSWROICV-UHFFFAOYSA-N", "SMILES:O=C(NO)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3[nH]1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQXODHHFTYPTME-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(NCCCCCCC(=O)NO)n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBUVKZFJRCJJKF-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCNc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL469274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVNHLWWJVGGFQS-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1cccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSOQQZTUTMPIOG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)cc1OCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFQXYONXLZHUAD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)cc1OCCCCCC(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTFTWBYOFSGVDT-XBXARRHUSA-N", "SMILES:O=C(/C=C/c1ccc2nn(Cc3ccc(Cl)cc3)cc2c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SARXQRPLWDIZLZ-UHFFFAOYSA-N", "SMILES:CNCCOc1ccc(-c2cc(=O)c3cc(OCCCCCC(=O)NO)cc(O)c3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKRWVHJBZMYDSG-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ncc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJICHNBZWABMPJ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ncc2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWJZFXHSPBBPNI-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWTJOXOCUBXFIJ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3nccc(C(=O)NCCCCC(=O)NO)c3c2)cc1NS(=O)(=O)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXPPNBSZEZBBTI-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3nccc(C(=O)NCCCCCC(=O)NO)c3c2)cc1NS(=O)(=O)c1cc(F)cc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTJPCLXVDNMKDZ-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2ccc3ncc(C(=O)NCCCCCCC(=O)NO)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWMHAEARRTUTJU-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(NC(=O)C2(c3ccc(-c4cn[nH]c4)cc3)CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANEIGZBWQSTBKO-NBPOQWHHSA-N", "SMILES:CC1=C(C)C2C(c3ccc(Cl)cc3)=N[C@@H](CC(=O)Nc3ccc(C(=O)NO)cc3)c3nnc(C)n3C2S1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLARIPIRNKBQOL-UHFFFAOYSA-N", "SMILES:COCCOc1ccc2c(OCCCCCCCC(=O)NO)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLQZXUQQDSCMRW-UHFFFAOYSA-N", "SMILES:CCCOc1ccc2c(OCCCCCCCC(=O)NO)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNMQSXTDFGZFL-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc(N3CCN(c4ncc(C(=O)NO)cn4)CC3)ncc2Cl)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIZPPLJCNKOPJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFFNEGRINJRHT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc2ncnc(Nc3ccc(F)cc3)c2n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCFJEAZEVAQWRL-UHFFFAOYSA-N", "SMILES:Cn1cc(CCCC(=O)Nc2ccc(C(=O)NO)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTKZIXCRPIHNTI-FONUCKEVSA-N", "SMILES:O=C(CCCCCCC(=O)N1CCC(C(=O)Nc2ccc([C@@H]3[C@H]4CSCN4[C@]4(C(=O)Nc5cc(Cl)ccc54)[C@H]3C(=O)c3ccccc3)cc2)CC1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHXJNSYWNDIGKZ-FMIVXFBMSA-N", "SMILES:COc1cc(-c2cccc(-c3ccc(/C=C/C(=O)NO)cc3)n2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMNTWHPNXDOMT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARELYSHMNZNPCE-VQHVLOKHSA-N", "SMILES:Cc1ccc(Cn2cnc3cc(/C=C/C(=O)NO)ccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKIZKQPQHQQCNF-XBXARRHUSA-N", "SMILES:O=C(/C=C/c1ccc2c(=O)n(Cc3ccc(Cl)cc3)cnc2c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYJQTZHJMAKGGM-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(N2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQXDPYBZZSJDCQ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNc2cccc3cc(-c4cccnc4)cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJUCZKKGAJPBEN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CNc2cccc3cc(-c4ccncc4)cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5189571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYQDOPQZKLHMPQ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHJRSHLCILPLCN-DURBRWELSA-N", "SMILES:C=C[C@@]1(C)CC[C@H](C(=C)CN2CCN(C(=O)CCCCCCC(=O)NO)CC2)C[C@@H]1C(=C)Cn1cccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGRXBHVHPSCGPJ-HRHHFINDSA-N", "SMILES:C=C[C@]1(C)CC[C@@H](C(=C)Cn2cccn2)C[C@H]1C(=C)CN1CCN(C(=O)CCCCCCC(=O)NO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMNQNRGBYOMHQL-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cn(CCCCCC(=O)NO)c(C)c2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJBVOGNWDOHTSC-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)cn(CCCCCC(=O)NO)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOZBHORUTQERIO-HNNXBMFYSA-N", "SMILES:CCCC(CCC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNSNXSBINKRROS-KZHHGSSRSA-N", "SMILES:COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(/C=C/C(=O)NO)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUIRYYSEWMNWIP-MDWZMJQESA-N", "SMILES:COc1cc(/C=C/C(=O)c2ccc(OCCCCCC(=O)NO)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWKKINJQPWYWBO-ZLISZICVSA-N", "SMILES:C[C@@H]1CC[C@H]2[C@@H](C)C(OCC(=O)NO)C[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZSBGWBNDFTFEC-DBQFTHHUSA-N", "SMILES:C[C@@H]1CC[C@H]2[C@@H](C)C(SCCC(=O)NO)C[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYVNFZNLNLFKF-UHFFFAOYSA-N", "SMILES:O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYFAFAQWJKNDY-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(C(=O)Nc2cccc(C(=O)NO)c2)nc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGJDCWSDIPYJSC-YPKPFQOOSA-N", "SMILES:O=C(CCCCCN1C(=O)c2ccccc2/C=C\\c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWMHXXZASXHKMH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)c2ccccc2NC(=O)c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSEPDHYOBRCFRP-UHFFFAOYSA-N", "SMILES:O=C(CCCCCN1C(=O)c2ccccc2NC(=O)c2cc3ccccc3cc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1600350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKEAEJWGGXEMOQ-UHFFFAOYSA-N", "SMILES:Cc1nnc(NC2CCCCC2)nc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRRGQTSRKFFKNX-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(Nc2ccc3c(c2)OCO3)nc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4286927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIJQBIDJNBKOKC-UHFFFAOYSA-N", "SMILES:Oc1ccc(Cl)c(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KECKXQARVPBHMZ-UHFFFAOYSA-N", "SMILES:Oc1ccc(F)c(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEWLKBMGFFHPOB-UHFFFAOYSA-N", "SMILES:CSc1ccc(C(=O)NCc2cc3c(=O)[nH]c(N)nc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACKVBZQSJDPEIS-UHFFFAOYSA-N", "SMILES:c1n[nH]c(-c2nc3c(s2)CCOc2cc(-c4cn[nH]c4)ccc2-3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJTQQKLMMJVCLH-UHFFFAOYSA-N", "SMILES:c1n[nH]c(-c2nc3c(s2)CCOc2cc(C4CNC4)ccc2-3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVEHEROAWCBPSS-UHFFFAOYSA-N", "SMILES:C1=CN(c2ccccc2)CC(CNc2ccc(Oc3ccncc3)cc2)=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJKQKXXQPCFXMY-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc3c(CNc4cccnc4)ccnc3[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEJKNQFSGACSJR-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(-c3ccccc3)c(-c3ccc4nc[nH]c4n3)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVDRGMGRVOBKBI-UHFFFAOYSA-N", "SMILES:c1cc(-c2cccc3c(N4CCOCC4)nncc23)c2oncc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRFKBEFLJLJYHV-UHFFFAOYSA-N", "SMILES:C1=Nc2c(sc3ccc(-c4ccccc4)cc23)CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDXSLOFPAETRB-UHFFFAOYSA-N", "SMILES:C1=C(c2cc(C3CNCNC3)ccc2NCc2ncc[nH]2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOZPQDWKSRTTFI-GFCCVEGCSA-N", "SMILES:CCc1nc2c([C@@H](C)Nc3ccc(Cl)nc3C(=O)O)cc(C)cc2c2nccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRDYRUPHMWQEIF-CYBMUJFWSA-N", "SMILES:CCc1nc2c([C@@H](C)Nc3ccc(Cl)nc3C(=O)O)cc(C)cc2c2nc(C)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NROKVEFYQBCWDO-CYBMUJFWSA-N", "SMILES:CCc1cn2c(CC)nc3c([C@@H](C)Nc4ccc(Cl)nc4C(=O)O)cc(C)cc3c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVORNRJDCBUQRR-LLVKDONJSA-N", "SMILES:CCc1nc2c([C@@H](C)Nc3ccc(Cl)nc3C(=O)O)cc(C)cc2c2nncn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYAKZZBZIDGIO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)n3cccc43)CC2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLCGFZJPUPHSLL-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)n3cccc43)CC2)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNJVMKQCYBBEMX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c(c3)[nH]c(=O)n3cccc43)CC2)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBUKTFJQWGTAN-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)Nc1nc2ccccc2c2c(C#N)c(N)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDZJDPVRQAXMBX-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)Nc1nc2ccccc2c2c(C(=O)c3ccc(F)cc3)c(N)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVKVCUDCIZOSBJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)c2c(N)nn3c(NC(C)(C)CC(C)(C)C)nc4ccccc4c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INTJRMUSLNEGSA-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)n3nccc43)CC2)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWWYOYQQBVCVDC-UHFFFAOYSA-N", "SMILES:COC(=O)c1nn2c(NC(C)(C)C)nc3cc(Cl)ccc3c2c1C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTQTWLIUVOLCCQ-UHFFFAOYSA-N", "SMILES:Nc1nc2ccccc2c2nc(-c3ccco3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMFCZVCTHKBBLM-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc3c4ccccc4nc(-c4ccccc4)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMSOXVWUIFQNHX-UHFFFAOYSA-N", "SMILES:Nc1nc2c3ccccc3nc(-c3cccs3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAEVVVNWLHLTCV-UHFFFAOYSA-N", "SMILES:Nc1nc2c3cc(Br)ccc3nc(-c3ccccc3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLUGALFKAJVKIS-DHRITJCHSA-N", "SMILES:O=C(N/N=C/c1ccccc1Cl)c1ccc(Nc2nc3ccccc3c3nncn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEMKSNQKXGDSBO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCC(C)(C)CC3)n3cnnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWJRZAUFZQKTMN-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3Cc4ccccc4C3)n3cnnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHUFQVTEKGSLJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCC(C)(C)C3)n3cnnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OONUXIVDQBSMEM-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CC(C)(C)C3)n3cnnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEIVZLIOEQCCDU-OAHLLOKOSA-N", "SMILES:Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCC(F)(F)CC3)n3cnnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLDNQHOATRCCLB-CYBMUJFWSA-N", "SMILES:C[C@@H](Nc1ccccc1C(=O)O)c1cc(F)cc2c1nc(N1CCC(F)(F)CC1)n1cnnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSARGIGVSSILFC-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCC(C)(C)CC3)n3ncnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOQYSCPTYUFXMQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccc(Cl)nc2C(=O)O)c2nc(-c3cccc(C#N)c3)n3cnnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBWIQHZEXVBQHH-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(-c3cc(F)cc(F)c3)n3cnnc3c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKJCMFRABFUAJX-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(NC3CC3)nc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4241615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEWUPPDYQVYPFZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCC(=O)NO)ccc32)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWAOKFFQWLQKFA-AUUYWEPGSA-N", "SMILES:C[C@@H]1CN(Cc2ccc(C(=O)NO)cc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCDHRHHWIBNNBN-GWLPDBOPSA-N", "SMILES:C[C@]12CC[C@H](OC(=O)CCCCCC(=O)NO)CC1=CCC1C2CC[C@]2(C)C(c3cccnc3)=CCC12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARQFPBSDTGWBHK-LDSPGUCXSA-N", "SMILES:CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccccc3)[nH]c3cc(/C=C/C(=O)NO)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHBANDDJQJAZOQ-CQSZACIVSA-N", "SMILES:C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3943305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFLRWBCQIACXIL-GFCCVEGCSA-N", "SMILES:C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2ncccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCRYSYHONVWYKZ-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(CCCCCN3CCN(c4cccc5sncc45)CC3)cc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMNGVBWAHSQCA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4ccc5ccc(=O)[nH]c5c4)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATTRDTQSDUNOQU-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4ccc5[nH]c(=O)ccc5c4)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNWDDBIQRUDOOS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)NC(=O)CC5)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYMOAEMDLBCCAM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)CCC(=O)N5)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGLJNHLMTSSCBQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSTHZZKQHBPYAK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4cc5c(cc4F)OCC(=O)N5)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KADXEGVFWOSNCE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)CC(=O)N5)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUIGBMXFUXYLGX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4cc5c(cc4F)NC(=O)C5)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQNVZIYOJCTSN-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4ccc5[nH]c(=O)oc5c4)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZEKHCOVJMKBRW-UHFFFAOYSA-N", "SMILES:Cn1c(=O)oc2cc(CCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBERGRKAGRZTPQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4cccc5c4CC(=O)N5)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYQBETOPBCDPRQ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc2ccc(CCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRLOZBIANMLHLV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4ccc5nc(N)sc5c4)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVNOMJIWIBHXFY-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)CC(=O)N5)CC3)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKZNHGSQEBLLTO-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCc4ccc5ccc(=O)[nH]c5c4)CC3)ccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYUBFXDKQAWNEG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cccc(N3CCN(CCc4ccc5ccc(=O)[nH]c5c4)CC3)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCRDLOSMZWUPLM-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CC5)CC3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATMRHVKTLJMUTK-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc2c(N3CCN(CCc4ccc5ccc(=O)[nH]c5c4)CC3)cccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGUWFHZETYOCNV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCCc4ccc5c(c4)CC(=O)N5)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFAVOBUSZYBCQN-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc2cc(N3CCN(CCCc4ccc5c(c4)CCC(=O)N5)CC3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNAXEQZRZYFALS-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(CCn2c3ccccc3c3ccccc32)o1)Nc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLJSAQRWBWUXMM-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nnc(CCn3c4ccccc4c4ccccc43)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPUSURIUINRLAW-UHFFFAOYSA-N", "SMILES:CCOc1ccc(NC(=O)CSc2nnc(CCn3c4ccccc4c4ccccc43)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWGEQLMJAGLSQ-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(CCn2c3ccccc3c3ccccc32)o1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMCFIMDIRGNKKK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(CCn2c3ccccc3c3ccccc32)o1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXGLTQQLJYTYRU-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(CCn2c3ccccc3c3ccccc32)o1)Nc1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNQONVMLARRZAR-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(CCn2c3ccccc3c3ccccc32)o1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLYOFMHAWOWNHM-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)CSc2nnc(CCn3c4ccccc4c4ccccc43)o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIVTJITKMPYPX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSc2nnc(CCn3c4ccccc4c4ccccc43)o2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRFFUXCDXLJYHI-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nnc(CCn3c4ccccc4c4ccccc43)o2)c([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGIJJJHOLFQGEO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)CSc2nnc(CCn3c4ccccc4c4ccccc43)o2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQEFPCVZCYTHKK-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(CCn2c3ccccc3c3ccccc32)o1)Nc1ccc(Cl)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKTIZFZHEFMLFX-UHFFFAOYSA-N", "SMILES:O=C(CSc1nnc(CCn2c3ccccc3c3ccccc32)o1)Nc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXNPMCNIYREVMW-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2c(c1)ncn2CCCCN1CCN(c2nsc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRKDGBBGNJAQFP-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(C3CCN(CCCCn4cnc5ccccc54)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYJMCZSZJYJLCX-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(C3CCN(CCCn4cnc5ccccc54)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIVSUKSAJLPDAU-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(N3CCN(CCCn4cnc5ccccc54)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLKAGCILQYHMLO-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(N3CCN(CCCCn4cnc5ccccc54)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTNXKXRPHXOHLK-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2c(c1)nnn2CCCCN1CCN(c2noc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMLQRMYDRXISRD-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(N3CCN(CCCCn4nnc5ccccc54)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGEMXTYAUCQEFB-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(N3CCN(CCCn4nnc5ccccc54)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPIRIRJIJBNDQJ-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2c(c1)nnn2CCCN1CCN(c2nsc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMLXCNESJKXFY-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2c(c1)nnn2CCCCN1CCN(c2nsc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXYJLJQIKXHSKA-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2c(c1)nnn2OCCCN1CCN(c2nsc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCPLGGZGDLGBJE-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(C3CCN(CCCCn4nnc5ccccc54)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQVOGVZPHXTAHY-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2nn(CCCCN3CCN(c4noc5ccccc45)CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZQQYRIQSCWELR-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2nn(CCCCN3CCN(c4nsc5ccccc45)CC3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKNYXZGQTVPPEE-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(C3CCN(CCCCn4nc5ccccc5n4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWAVBFWGMQKJR-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(N3CCN(CCCCn4nc5ccccc5n4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL556001", "category": ["biolink:ChemicalEntity"], "name": "2- (2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE HYDROCHLORIDE (WB 4101)", "xref": ["InChIKey:KAHMEWANVDFFCQ-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1OCCNCC1COc2ccccc2O1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619258", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZNAJHPSCRUIIG-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(N2CCN(CCCCn3cnc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTHHOXUXBCVSFS-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CCCCn3cnc4ccccc43)CC2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRSLDMOBJKLIB-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBAFHJPHLJFTJE-UHFFFAOYSA-N", "SMILES:Cl.c1ccc2c(c1)ncn2CCCN1CCN(c2nsc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSHOSTZWUDGCGF-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(N2CCN(CCCCn3nnc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYCWMCBYBWGQW-UHFFFAOYSA-N", "SMILES:Cl.Fc1cccc(N2CCN(CCCCn3nnc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJEXMUVLOOWEPH-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(C3CCN(CCCn4nnc5ccccc54)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZHJNCVZXDPMCQ-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(C3CCN(CCCn4nc5ccccc5n4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVRLNRGTLYVNNG-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2c(N3CCN(CCCn4nc5ccccc5n4)CC3)noc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAQAVFXCUANAHF-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(N2CCN(CCCCn3cnc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATJACFSPITSNT-UHFFFAOYSA-N", "SMILES:Cl.Clc1cccc(N2CCN(CCCCn3cnc4ccccc43)CC2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLYLOMHJSBFEQK-UHFFFAOYSA-N", "SMILES:Cl.Fc1cccc(N2CCN(CCCCn3cnc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTNBRPCPCIURG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCCn2cnc3ccccc32)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNUSNRBBBFPMB-UHFFFAOYSA-N", "SMILES:Cl.Fc1ccc2ncn(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQTAZFREQQWVIM-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(N2CCN(CCCCn3nnc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVCCDZKFKNLQT-UHFFFAOYSA-N", "SMILES:Cl.c1ccc(N2CCN(CCCCn3nnc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBUTVZFRFIRRQL-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(N2CCN(CCCn3nnc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCQNJRLTUAQLFN-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(N2CCN(CCCCCn3nnc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGESSSUCBJDNGH-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(N2CCN(CCCCCCn3nnc4ccccc43)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTYHMHQDYQFIT-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(N2CCN(CCCCn3nc4ccccc4n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUYBZUNBDNNWHQ-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(N2CCN(CCCCCn3nc4ccccc4n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3991397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTPCCJWBAXFBQG-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(CCCOc2cccc(C)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPLQMKOWGIHMID-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cccc(N2CCN(CCCn3nc4ccccc4n3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYOTGNTHMHGFK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccnc(NCCCO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALTOEXIXSCQSCE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)NCCNc1cc(C(=O)O)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICLVJVGNXROVLL-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cc(-c2nnn[nH]2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIHNPEJJALKKOD-GFCCVEGCSA-N", "SMILES:NNC(=O)[C@H](NC(=O)CCCCc1ccccc1)c1nnn[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFKMTSCIZNZAE-CQNRTFJUSA-N", "SMILES:N#C[C@@]1(c2ccc3c(NC(=O)c4ccc(NC(=N)N)cc4)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQASAMHEMLKUIM-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(=O)oc2ccc(OC(=O)c3ccc(NC(=N)N)cc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMZDMPRQGJWQQQ-UYCVCSCRSA-N", "SMILES:N#C[C@@]1(c2ccc3c(NC(=O)c4ccc(Nc5ncccn5)cc4)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLCMRYEKBQMNW-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccc(C(=O)Nc2ncnc3[nH]cnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDFAOXDYHMTKPZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nn2)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUSNTOBMJRWOIA-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(-n3cc(C(=O)NCc4cccc(C)c4)nn3)cc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCKBGHPGYSTNEW-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)c2cn(-c3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVOCMEQAGKGSRR-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMVXKTKJAQFIPN-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)c2ccc(-n3cc(CNC(=O)CC4(CC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CCCC4)nn3)cc2)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMBKZHPFEUCEFD-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CC(NC(=O)c1cn(-c3ccc(Cl)c(C(F)(F)F)c3)nn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5180929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKCIYWJZAMFYTL-OAHLLOKOSA-N", "SMILES:Cc1c(-c2cccc(C(F)(F)F)c2)sc2[nH]c(=O)n([C@H](C)c3cccc4ccccc34)c(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5179455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBVHLJGGHJLTGM-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2cc(C(=O)O)ncc2C(=O)O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5618354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFFZCLKOQQPASJ-UHFFFAOYSA-N", "SMILES:O=C(N1CC2(CC(Cc3cn[nH]c3C(F)(F)F)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWTXFNHPBAHIR-UHFFFAOYSA-N", "SMILES:O=C(N1CC2(CC(Cc3cc(C4CC4)n[nH]3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KICZZPGQXSVJKA-UHFFFAOYSA-N", "SMILES:O=C(N1CC2(CC(Cc3n[nH]cc3C(F)(F)F)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPOJUDNFXOGSCF-UHFFFAOYSA-N", "SMILES:O=C(N1CC2(CC(Cc3cc(C(F)(F)F)nn3CC(F)(F)F)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GORSUOZXMFXSID-UHFFFAOYSA-N", "SMILES:O=C(N1CC2(CC(Cn3cc(S(=O)(=O)C(F)(F)F)cn3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSFWJTWVQYBPA-UHFFFAOYSA-N", "SMILES:O=C(N1CC2(CC(Cc3cc(C4(C(F)(F)F)CC4)[nH]n3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXCAWIBAYDHMSX-UHFFFAOYSA-N", "SMILES:COc1cc(C=O)ccc1OCCOc1ccc(C=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOMDOELXJSLPII-KQQUZDAGSA-N", "SMILES:COc1cc(/C=C/C(C)=O)ccc1OCCOc1ccc(/C=C/C(C)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUEXHIFPSQOWLW-MKICQXMISA-N", "SMILES:COC(=O)/C=C/c1ccc(OCCOc2ccc(/C=C/C(=O)OC)cc2OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAIHDXLJAIYOAY-UTLPMFLDSA-N", "SMILES:CCOC(=O)/C=C/c1ccc(OCCOc2ccc(/C=C/C(=O)OCC)cc2OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLONVWTXHJVWLV-GGWOSOGESA-N", "SMILES:COc1cc(/C=C/C#N)ccc1OCCOc1ccc(/C=C/C#N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJEYZKBFMCJMBN-UHFFFAOYSA-N", "SMILES:COc1cc(C(O)P(=O)(OC)OC)ccc1OCCOc1ccc(C(O)P(=O)(OC)OC)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLAYFBNOPWLFEO-UHFFFAOYSA-N", "SMILES:COc1cc(C(O)P(=O)(N(C)C)N(C)C)ccc1OCCOc1ccc(C(O)P(=O)(N(C)C)N(C)C)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGUSRFKESQWGBH-UHFFFAOYSA-N", "SMILES:CCN(CC)P(=O)(C(O)c1ccc(OCCOc2ccc(C(O)P(=O)(N(CC)CC)N(CC)CC)cc2OC)c(OC)c1)N(CC)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWSCEZJAOPJDJT-UHFFFAOYSA-N", "SMILES:COc1cc(C=S)ccc1OCCOc1ccc(C=S)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVTFXVAOVKBEQU-UHFFFAOYSA-N", "SMILES:COc1cc(C2SP(=S)(Sc3ccccc3)S2)ccc1OCCOc1ccc(C2SP(=S)(Sc3ccccc3)S2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3735992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYQSTAGJKVMDAE-LWIYDJPKSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEWUWQJLDLQQSM-IPVIXKRZSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZMBOOMHXZEPB-KVKUNONVSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccnc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXNBRDCWNSCYBF-WWLBFGBKSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccsc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFGOHCAIAMGBY-WWLBFGBKSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccoc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMRIGWKYFKTPPV-WDONVBSWSA-N", "SMILES:Cc1ccc(S(=O)(=O)n2cc(C[C@@H](CC(=O)O)NC(=O)CC[C@@H](C)[C@H]3CCC4C5CC=C6C[C@@H](O)CC[C@]6(C)C5CC[C@@]43C)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYMMHPJBOYYWFE-UAHYCAMUSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSKBXRHRSWWSNP-UAHYCAMUSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTETVIQGAYXJCK-QFLNAVPMSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHNSFIREYVDKIZ-JOLKCJJASA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTCMDCXDOOZYSS-UAHYCAMUSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDYNHHCBRBSKGE-ZGQIYWAASA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEYIUFSGOQQZHI-BDQKWOIKSA-N", "SMILES:Cc1cccc(S(=O)(=O)n2cc(C[C@@H](CC(=O)O)NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)c3ccccc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISOKLYNDFHIXRI-UAHYCAMUSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc(N)c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXJZEKPCXWIXIY-UAHYCAMUSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZSMMDZMGMXFRA-QFLNAVPMSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc(C#N)c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLSJLSGFTISVJI-JOLKCJJASA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBBJCSOLJDJXNU-UAHYCAMUSA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc(F)c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMKJWUUADBWQNO-ZGQIYWAASA-N", "SMILES:C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "Ephrin type-A receptor 7", "xref": ["CHEMBL.TARGET:CHEMBL4739689"], "id": "UniProtKB:Q61772", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Ephrin type-B receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL4739675"], "id": "UniProtKB:P09759", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGWCTROONONUPE-UHFFFAOYSA-N", "SMILES:Cc1cc(NCc2ccccc2)n2nc(C)c(-c3ccccc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYRCYISMXLCFTE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCC4CCCO4)cc(C)nc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTMLVWBRMCZLKM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4ccccc4)ccnc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBIGPMDNCLTGTE-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4cccc(O)c4)ccnc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAOBGQZVIMREGU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4ccc(O)cc4)ccnc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWZZYAPUZKKSNF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4ccc5c(c4)OCO5)ccnc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHMGPHBXNMMXOF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4ccc(C#N)cc4)ccnc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFBOOHCJLJFJPY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)ccnc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBDDPPWYCYMGGB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4ccc(S(C)(=O)=O)cc4)ccnc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYFVSMLMECDGMM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCCc4cccc(S(C)(=O)=O)c4)ccnc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCHDSLWEMNIDIJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NC(C)c4cccc(S(C)(=O)=O)c4)ccnc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HSPXITSMPCVNQU-UHFFFAOYSA-N", "SMILES:Cc1nn2c(NCc3cccc(S(C)(=O)=O)c3)ccnc2c1-c1ccc(O)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVAGDMXSKHFHKS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)cc(C)nc23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSKZFEWUTQFBKG-UHFFFAOYSA-N", "SMILES:Cc1cc(NCc2cccc(S(C)(=O)=O)c2)n2nc(C)c(-c3ccc(O)c(F)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLQSUJCSJVRAOY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)ccnc23)cc1S(=O)(=O)N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYLOIWOVEQVPDA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)ccnc23)cc1S(=O)(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJTNASISQMTWJY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)ccnc23)cc1S(=O)(=O)Nc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXEUMMOXMAVZNP-TZQOKCFTSA-M", "SMILES:CC[C@@H](C(=O)[O-])C1CC[C@H](C)C([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@]3(C=C[C@@H](NC(=O)CCSSC[C@H](NC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(C)=O)C(N)=O)[C@]4(CC[C@@](C)(C5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWIGQWCDSLNPG-CQNQUHKWSA-M", "SMILES:CC[C@@H](C(=O)[O-])C1CC[C@H](C)C([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@]3(C=C[C@@H](NC(=O)CCSSc4ccccc4)[C@]4(CC[C@@](C)(C5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1208572", "category": ["biolink:ChemicalEntity"], "name": "SALINOMYCIN", "xref": ["InChIKey:KQXDHUJYNAXLNZ-XQSDOZFQSA-N", "SMILES:CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C"], "synonym": ["E716", "Salinomycin", "Salinomycine", "Salinomicina", "Procoxacin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5618312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJUIZCVMGSZKET-IPHVNIDGSA-N", "SMILES:CC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJQQDCUAHXQACF-MBYSJIBESA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](NC(=O)c2ccccc2)C(=O)CC1Sc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXUPGAHWWSPDRD-RAMXQINQSA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)CC1Sc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DALCVPMLMPUEJM-RAMXQINQSA-N", "SMILES:COc1ccc(SC2CC(=O)[C@H](NC(=O)c3ccc4c(c3)OCO4)O[C@@H]2COC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATACJIOZNUOXEX-VUSXNOBASA-N", "SMILES:COc1ccc(SC2CC(=O)[C@H](NC(=O)c3ccc4c(c3)OCO4)O[C@@H]2COC(C)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSQJNWCGXIERDA-MBYSJIBESA-N", "SMILES:CC(=O)OC[C@H]1O[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)CC1SCc1ccco1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFXGSBSSXXYMQP-RAMXQINQSA-N", "SMILES:COc1ccc(SC2CC(=O)[C@H](NC(=O)c3ccc(OC)cc3)O[C@@H]2COC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPEVMHKRMQBNEJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(-c2cccs2)nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMPTURDWUXHVFH-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(-c2ccncc2)nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZVXMKATRNWVQD-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(-c2cccnc2)nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVEXBFWPQNYHAU-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(-c2cncnc2)nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNGNHQKMMBMDAS-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(-c2ccsc2)nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMCCRRNTASNUFB-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(-c2ccncc2)nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JILRXJWHSRWKIS-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(-c2cccnc2)nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKNGOMHLQYUBJP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(-c2ccccc2)nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZGFIGGKNCYEAZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(-c2cccnc2)nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNCDKYJKVIAXBI-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1cc(-c2cncnc2)nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDZSPZAGUMSAMI-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4c(Cl)cccc4Cl)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLOJBLLJCGQHQU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)c(OC)cc1N1CCN(C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUOHCQQMXGGJQQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)c(OC)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYROZKBYTNHFNX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKDWYTLVFXRQEV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)ccc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVPFUUOGSRZBF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKPKWVGOJCUFOI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)ccc1N1CCN(C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWAGJZNPYPGPH-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cccc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIRVJWSLBGHIQC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncc(F)c(-c3ccc4cc(C(=O)NC)n(C(C)C)c4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJNCPIASDFCLDO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)NC)n(C(C)C)c4c3)n2)c(OC)cc1N1CCN(C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDPWPXZXKGRTFG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)NC)n(C(C)C)c4c3)n2)c(OC)cc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVBKVMMQMBCBE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)NC)n(C(C)C)c4c3)n2)ccc1N1CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBRJELIDOMXUMH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)NC)n(C(C)C)c4c3)n2)ccc1N1CCN(C(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDNREXXKMZOXMO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)NC)n(C(C)C)c4c3)n2)ccc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCQYGMEABUFCV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KABIHHKHCVGAEP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)c(OC)cc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITWAHIMYVNUDBR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)c(OC)cc1N1CCN(C(C)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WITHKPCNQPCMNY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPEHAPWTBQANAL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGPYLCRUWUMEGO-UHFFFAOYSA-N", "SMILES:CCC(=O)Nc1cccc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKCIZEYOXJNTHO-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYMFISVHFVLVMZ-UHFFFAOYSA-N", "SMILES:CCCN1CCN(c2nnc(-n3cccc3CNc3ccc(OC)c(OC)c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URDQZOOHQGLFNQ-UHFFFAOYSA-N", "SMILES:COc1cc(NCc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGNQNAWERPLOBK-UHFFFAOYSA-N", "SMILES:COc1ccccc1NCc1cccn1-c1nnc(N2CCN(C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1518197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPNDWMFVASXXFK-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(N3CCOCC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1715383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJNVHZDNWWOBN-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(N3CCOCC3)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1394684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKFYUEQIAQUCAM-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(N3CCCCC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTSDOYMPRRPBBE-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCc1cccn1-c1nnc(N2CCN(C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXYKXWBNDBYAK-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NCc1cccn1-c1nnc(N2CCN(C)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGWXGOYXQZJEHK-UHFFFAOYSA-N", "SMILES:CCOc1cccc(NCc2cccn2-c2nnc(N3CCN(C)CC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDTLZCLGKNWBOF-UHFFFAOYSA-N", "SMILES:CCOc1cc(NCc2cccn2-c2nnc(N3CCN(C)CC3)s2)ccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFNPEAASDGGYRE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nnc(-n3cccc3CNCc3ccc(F)cc3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1883189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZXPLSPFWGYCQS-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)CSCCc2ccccn2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEAMCBFDLOMYKQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POCJODWEIQTJMW-UHFFFAOYSA-N", "SMILES:COc1cccc(NCc2cccn2-c2nnc(N3CCN(C)CC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSPZXZOWHOQTI-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(N3CCN(C)CC3)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZWZTVBOFWLLV-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nnc(-n3cccc3CNc3ccc4c(c3)OCCO4)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVGHRNUIBLNYFN-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOVPWNXJGAYKEI-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCc2cccn2-c2nnc(N3CCN(C)CC3)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYELTBWTICBRGO-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOANGBMQBKHOCF-UHFFFAOYSA-N", "SMILES:COc1cccc(CNCc2cccn2-c2nnc(N3CCN(C)CC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZRPHZAUTYMBPX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXUVPENTFODDAU-UHFFFAOYSA-N", "SMILES:COc1cccc(NC(=O)c2cccn2-c2nnc(N3CCN(C)CC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFDLYQGEZWZJF-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCHYRMWMTVSDGK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(N3CCN(C)CC3)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QULBKXLYYYEPEJ-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIAZRRAJZGCQCW-UHFFFAOYSA-N", "SMILES:COc1cccc(OCc2cccn2-c2nnc(N3CCN(C)CC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJBIAWBXEKTGLS-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVXBGRLIQQBYSY-UHFFFAOYSA-N", "SMILES:COc1ccc(OCc2cccn2-c2nnc(N3CCN(C)CC3)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHFXZALMARGAAC-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFXSSNXLDXNIW-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2cccn2-c2nnc(N3CCN(C)CC3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBYCOIEXGQWHE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXCOKUMWNGQSD-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cccn2-c2nnc(N3CCN(C)CC3)s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIIHXRWRUZDHLV-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cncn2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYFTZUCZUHVCW-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2ccnn2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BETCSFGACYVROE-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cc3ccccc3n2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFSGFRFJURQGS-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cncn2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCNGAQFIOHIMRU-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2ccnn2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYZRPYHEDKLATI-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc3ccccc3n2-c2nnc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHYNIAOOKKAYBK-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(N)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKACCMZZKDBHRV-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(NC(=O)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOSTXXXUXBBHAW-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(NC(=O)c3ccc(F)cc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQFVHBQRKFUZOI-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(NC(=O)c3cccc(F)c3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCNIXDZCXXBANZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(NC(=O)c3ccccc3F)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISRUGOXLYGWOR-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(N(C)C)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGUKQWGXTIFJSE-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nnc(-n2cccc2CNc2ccc(OC)c(OC)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSGBACPCAAMLT-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nncs2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZAQPWTTWYOETI-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nnc(C)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYZCXUZFWQDAMB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(N)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTRXOZYAVXYWSE-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(NC(=S)Nc3ccc(Cl)cc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQARVMHJWPJBX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(NC(=O)c3ccccc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSWKIUPITFREQP-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(NC(=O)c3ccc(F)cc3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTMZBTZJGTYTTB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(NC(=O)c3cccc(F)c3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZKDZZAWADMNRK-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(NC(=O)c3ccccc3F)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFTANRMKOHBVQR-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(N(C)C)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNQHNCUUZDOPW-UHFFFAOYSA-N", "SMILES:CCN(CC)c1nnc(-n2cccc2C(=O)Nc2ccc(OC)c(OC)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMGXLCNVLFTWAQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(N3CCOCC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLRRNBRCEGRWCJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nncs2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POTKPPHHQFJQGZ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nnc(C)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCVMOJXCZCMCDS-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2ccc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAAZAFGJKRXWAL-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2cccc(N3CCN(C)CC3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDPBEGJUFMMJNG-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2cccc(Cl)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCGQVNAFHZOEIB-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2ccc(Cl)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHDCRTJJZNPOTJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2cnc(C)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNEWLOWVGHNVPO-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nc3ccccc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYJLWHWRFBQFST-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nn3ccnc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHTQFHGFGXWCJC-UHFFFAOYSA-N", "SMILES:COc1ccc(NCc2cccn2-c2nn3ccnc3s2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDJCPMIKTCCNMJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2ccc(N3CCN(C)CC3)s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXSRBUFSWFOFBX-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2cccc(N3CCN(C)CC3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTYXLRUBFCPHKY-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2cccc(Cl)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLJFVXFZAMUBM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2ccc(Cl)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUVIIOPHERDTGG-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nc3ccccc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTZPATQVNPTWRV-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cccn2-c2nn3ccnc3s2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNFIPUVNGIYMDT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(C)=O)c2)c2cn(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZMWQWWPJFXYJG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(N)=O)c2)c2cn(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDBURTGATHIFKR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(CN)c2)c2cn(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCHLYKSABKKLOG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(OC)c3nn(C4CC4)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIMMXVFHYXYRPC-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccncc2)c2cn(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPXVEZVGSSYCAR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGOPITMVUZFSIC-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXBDNDDVRLOVIH-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(-c2ccncc2)c2cn(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAHAAXFTEXUJNN-UHFFFAOYSA-N", "SMILES:FC(F)Oc1ccc(-c2ccnc(Cl)c2)c2cn(C3CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVNOIQPWFWWMT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C#N)c2)c2cn(C3(C(=O)NCC(C)C)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPANJRSUUFSQJU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cccc(C(C)=O)c2)n2nc(C3(C(=O)NC4CCCC4)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REXQQYPECOHBMB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3[nH]c(=O)ccc3c2)n2cc(C(F)(F)F)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4546073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIMSFIOQZTXZEP-UHFFFAOYSA-N", "SMILES:NCc1ccc2c(-c3cccc(C(N)=S)c3)cn(CCO)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRDUFMLDCRYUHH-UHFFFAOYSA-N", "SMILES:CN1CC(C(=O)NCc2ccc3c(-c4cccc(C(N)=O)c4)cn(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4570292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFWOZFHCMFJOJU-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nn(CC(=S)Nc3cccc(F)c3)cc2-c2cc3cnccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVEFZLZUDQXPCI-VAWYXSNFSA-N", "SMILES:NC(=S)N1N=C(c2ccccc2)CC1/C=C/c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWEPJEXBCDPDQS-UHFFFAOYSA-N", "SMILES:O=C(C(=S)N1CCOCC1)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1348974", "category": ["biolink:ChemicalEntity"], "name": "(4-CHLOROPHENYL)(MORPHOLINO)METHANETHIONE", "xref": ["InChIKey:QQAQCKDPIMFFLI-UHFFFAOYSA-N", "SMILES:S=C(c1ccc(Cl)cc1)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2135970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHKPPMSUPATMKP-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4099051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJNSZIQUFLWRLH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIXAMEPEBHZTSN-RPBOFIJWSA-N", "SMILES:CCCCCCCCCCCCCC(=S)NCCCC[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)C(=O)NCCCCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDNKBBZPVPGWOZ-RPWUZVMVSA-N", "SMILES:CCCCCCCCCCCCNC(=S)NCCCC[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)C(=O)NCCCCNC(=N)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPSGIGVRSABACH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(N)cc3)nn2C(N)=S)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPUIHRHHZYQFGI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(N)cc3)nn2C(N)=S)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZHDUALTZTLCZ-GYIWBFCBSA-N", "SMILES:COc1cc(-n2ncc3c(-c4cccc(-c5nc6cc(CN(C)[C@H]7CC[C@H](C(=O)O)CC7)cc(C#N)c6o5)c4C)cccc32)cc(OC)c1CN(C)[C@@H]1CCOC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVIXLYIISPLOKK-OAQYLSRUSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3CCCN(C)C)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPRMFPRXALZTND-JOCHJYFZSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3CCN3CCCC3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEEZJTHTOTWVIV-HSZRJFAPSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3CCCN3CCCC3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVCSOCKFDKVUFB-IRLDBZIGSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3C[C@@H]3CCCN3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XULFRTRXBIRMKE-JOCHJYFZSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3Cc3ccccc3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNSXNDKRKSAAFS-OAQYLSRUSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3ccccc3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVGKEXBFBXWLFX-OAQYLSRUSA-N", "SMILES:COc1ccc(-n2ccc3c(=O)n(CC4(O)CCN(C(=O)C[C@@H](C)c5ccccc5)CC4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEBNKGAACBKOMY-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3ccc(F)cc3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKVAQNNDSGWYCG-JOCHJYFZSA-N", "SMILES:Cc1ccc(-n2ccc3c(=O)n(CC4(O)CCN(C(=O)C[C@@H](C)c5ccccc5)CC4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMRSWFOBHXZMBP-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3ccc(Cl)cc3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALALLYPUTJNJNC-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3ccc(C(F)(F)F)cc3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFYUKKDJNYHRRR-OAQYLSRUSA-N", "SMILES:COc1cccc(-n2ccc3c(=O)n(CC4(O)CCN(C(=O)C[C@@H](C)c5ccccc5)CC4)cnc32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBDMGQASQDFGIC-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3cccc(F)c3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEEYJYWYXVHFCQ-OAQYLSRUSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3ccc(CN)cc3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGMWTRKQILQSGP-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3ccc(OC(F)F)cc3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCNGSBKUINYBOE-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3ccc(OC(F)(F)F)cc3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUYJWWRHBFFPOD-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3ccncc3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHIBZLIGOALPQ-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3cccnc3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPZRNSGATFNLNP-HXUWFJFHSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3ccccn3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTTZROSOQXQHTG-HXUWFJFHSA-N", "SMILES:COc1ccc(-n2ccc3c(=O)n(CC4(O)CCN(C(=O)C[C@@H](C)c5ccccc5)CC4)cnc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVYNRIHKWCWFP-LJQANCHMSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3cnn(C)c3)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COJOQQSLIFCTHQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2ccc3c(=O)n(CC4(O)CCN(C(=O)CC(C)c5ccncc5)CC4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJWPRZQHNDHOM-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2ccc3c(=O)n(CC4(O)CCN(C(=O)CC(C)c5cccnc5)CC4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGMLMWOQSVXUAF-OAQYLSRUSA-N", "SMILES:COc1ccc(-n2ccc3c(=O)n(CC4(O)CCN(C(=O)C[C@@H](C)c5ccccc5)CC4)cnc32)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STHPTTXXRDEGMA-OAQYLSRUSA-N", "SMILES:COc1ccc(-n2ccc3c(=O)n(CC4(O)CCN(C(=O)C[C@@H](C)c5ccccc5)CC4)cnc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZZYIYMFHFSYHW-OAQYLSRUSA-N", "SMILES:C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(ccn3-c3ccc4c(c3)OCCO4)c2=O)CC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEBVKCZVNXZMPI-OAQYLSRUSA-N", "SMILES:COc1ccc(-n2c(C)cc3c(=O)n(CC4(O)CCN(C(=O)C[C@@H](C)c5ccccc5)CC4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFEIUSXLOXVVSC-HXUWFJFHSA-N", "SMILES:COc1ccc(-n2ncc3c(=O)n(CC4(O)CCN(C(=O)C[C@@H](C)c5ccccc5)CC4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJSLOHXXRYRYKZ-HXUWFJFHSA-N", "SMILES:COc1ccc(-n2c(Cl)cc3c(=O)n(CC4(O)CCN(C(=O)C[C@@H](C)c5ccccc5)CC4)cnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUJVICAMCOHACI-VWLOTQADSA-N", "SMILES:COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c[nH]c3ccc(O)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWDVTOLVWGUBLC-MHZLTWQESA-N", "SMILES:O=C(Cc1c[nH]c2ccc(O)cc12)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKGJDWVDTXLLOC-MHZLTWQESA-N", "SMILES:NC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(O)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGBASMOEHPSCHY-BDTNDASRSA-N", "SMILES:NC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGKQCLLYFPOKTN-BDTNDASRSA-N", "SMILES:Cn1nc(N)c2cccc(-c3cccnc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEJZYRYUAMXYAN-ZRBLBEILSA-N", "SMILES:Cn1nc(NS(C)(=O)=O)c2cccc(-c3cccnc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUAVMNAWNCIGNR-WEWMWRJBSA-N", "SMILES:Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(C#CC(C)(C)S(C)(=O)=O)nc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXXDUJSWFITYLP-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNJHIAHNEWZTRK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccnc(Nc3cccc(N(C)C)c3)n2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEWZEZWZGJQFKN-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc(NCc2ccc(-c3ccc(F)cc3)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKOZSFUXKNLKZ-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)ccc2c1OC(c1ccsc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFBXCHUXFKMGQ-UHFFFAOYSA-N", "SMILES:CC(C)=CCc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5620074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABSZOJQSFAFGHQ-BIIKFXOESA-N", "SMILES:C/C(=C\\Cc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDSMMRXYUYOWLI-BIIKFXOESA-N", "SMILES:C/C(=C\\Cc1c(O)ccc2c1OC(c1ccc(Cl)cc1)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTIQZRKJHCAKT-BIIKFXOESA-N", "SMILES:C/C(=C\\Cc1c(O)ccc2c1OC(c1ccc(Br)cc1)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGKPQWCDRTHQX-AWNIVKPZSA-N", "SMILES:C/C(=C\\Cc1c(O)ccc2c1OC(c1ccc(Br)c3ccccc13)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJPLCRBVMKGOV-WTDSWWLTSA-N", "SMILES:C/C(=C\\Cc1c(O)ccc2c1OC(c1ccsc1)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUQBIZMLDPRMTM-ONNFQVAWSA-N", "SMILES:C/C(=C\\Cc1c(O)ccc2c1OC(c1cccs1)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPCYWYOFTWPCDP-WUXMJOGZSA-N", "SMILES:C/C(=C\\Cc1c(O)ccc2c1OC(c1csc3ccccc13)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYPYGAJQXLJRBQ-HNQUOIGGSA-N", "SMILES:O=C(O)/C=C/Cc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWZFWIAAAQQCDS-ORCRQEGFSA-N", "SMILES:O=C(O)/C=C/Cc1c(O)ccc2c1OC(c1cccs1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTRRUJOJKFDUEF-UHFFFAOYSA-N", "SMILES:O=C(O)CCCc1c(O)ccc2c1OC(c1cccs1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODWCZHRKVIGPQU-DUXPYHPUSA-N", "SMILES:O=C(O)C/C=C/Cc1c(O)ccc2c1OC(c1csc3ccccc13)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBUIYMXTYWMTAG-LFYBBSHMSA-N", "SMILES:C/C(=C\\Cc1cccc2c1OC(c1ccc(O)cc1)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPTBYJKFISSLFG-NTEUORMPSA-N", "SMILES:C/C(=C\\Cc1cccc2c1OC(c1ccc(Br)c3ccccc13)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZUVOGVKAUAERG-VZUCSPMQSA-N", "SMILES:C/C(=C\\Cc1cccc2c1OC(c1ccsc1)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRNKZXCUMOHKFS-YRNVUSSQSA-N", "SMILES:C/C(=C\\Cc1cccc2c1OC(c1cccs1)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMZVBLUGLMQAPB-BJMVGYQFSA-N", "SMILES:C/C(=C\\Cc1cccc2c1OC(c1cc(Br)cs1)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFVRCMBYIHNXBI-UKTHLTGXSA-N", "SMILES:C/C(=C\\Cc1cccc2c1OC(c1cc3ccccc3s1)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDQKUZQTVVKCY-UKTHLTGXSA-N", "SMILES:C/C(=C\\Cc1cccc2c1OC(c1csc3ccccc13)CC2=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLLKGZVWVXHNTL-QHHAFSJGSA-N", "SMILES:O=C(O)/C=C/Cc1cccc2c1OC(c1ccc(O)cc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIUCOKHOHORBHA-ONNFQVAWSA-N", "SMILES:O=C(O)/C=C/Cc1cccc2c1OC(c1ccc(Br)c3ccccc13)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJUMLBLXPJQEGW-QHHAFSJGSA-N", "SMILES:O=C(O)/C=C/Cc1cccc2c1OC(c1ccsc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOTHWHNOYBZCPH-KRXBUXKQSA-N", "SMILES:O=C(O)/C=C/Cc1cccc2c1OC(c1cccs1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZJBJICWLFYSOY-ONNFQVAWSA-N", "SMILES:O=C(O)/C=C/Cc1cccc2c1OC(c1cc3ccccc3s1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTHVDRITTCHIPP-WLRTZDKTSA-N", "SMILES:Cc1ccc2c(c1C/C=C/S(=O)(=O)c1ccccc1)OC(c1ccsc1)CC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAANCQSPFAIFBT-UHFFFAOYSA-N", "SMILES:CC(C)(Sc1ccncc1Cc1ccc(C#N)c2ccccc12)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZKAKXWNEWSLER-UHFFFAOYSA-N", "SMILES:COc1cc(-c2c(C)nc3cc(-c4cccs4)nn3c2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCWSADQVGLNQD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCCO[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNNMUAAPKOUDJG-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCCCO[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEYSSIGOZDUFKL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCCCCO[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGINWBUQDFZRHT-CUSZROAZSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCC(=O)O[C@@H]2CO[C@@H]3[C@H]2OC[C@@H]3O[N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYKIGOPJVZUBD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccc(CO[N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJEXCURTCZYDMC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2ccc(CO[N+](=O)[O-])cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYKIGOPJVZUBD-KHZPMNTOSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccc(CO[N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNYKIGOPJVZUBD-WLOLSGMKSA-N", "SMILES:CS(=O)(=O)O.CS(=O)(=O)O.NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccc(CO[N+](=O)[O-])c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAALIHNUZBZTK-UHFFFAOYSA-N", "SMILES:O=C1NC(c2ccc(OCc3ccc(Cl)cc3)cc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXBMBUIMZORNRT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Oc2nc3c(C)ccc(C)c3cc2C2NC(=O)c3ccccc3N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHLGYRUJPFRSFV-GXDHUFHOSA-N", "SMILES:O=C1/C(=C\\Nc2ccccc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXUUQUIZAQPYEW-NTEUORMPSA-N", "SMILES:O=C1/C(=C\\Nc2ccc(Cl)cc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVXBPCPAPKLCD-XNTDXEJSSA-N", "SMILES:COc1ccc(N/C=C2/Nc3ccccc3C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGIBPBJBVVNZPD-RVDMUPIBSA-N", "SMILES:O=C1/C(=C\\NCc2ccccc2)Nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFCHFOPOYDDPIA-LFIBNONCSA-N", "SMILES:COc1ccc(N/C=C2\\C(=O)c3ccccc3N2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTWZHGXHESUHBG-LFIBNONCSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccccc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRRFPMGNHWJZQB-MHWRWJLKSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccc(Cl)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGTHWBHTJLHRAX-GZTJUZNOSA-N", "SMILES:COc1ccc(N/C=C2\\C(=O)c3ccccc3N2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCCIIXZCSVBLQS-MHWRWJLKSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccc(F)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCDSYOJEDJGFW-MHWRWJLKSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cccc(F)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLHKUZCJUGBQEX-CXUHLZMHSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccc(F)c(F)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVBHSPKBJRDMRN-SFQUDFHCSA-N", "SMILES:CCC(=O)N1/C(=C/Nc2ccc(OC)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYEAAIATYPINLV-LFIBNONCSA-N", "SMILES:CCC(=O)N1/C(=C/Nc2ccc(F)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVTNIBMTCLLZGJ-LFIBNONCSA-N", "SMILES:CCC(=O)N1/C(=C/Nc2cccc(F)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYMJDXVKUDNLBQ-MHWRWJLKSA-N", "SMILES:CCC(=O)N1/C(=C/Nc2ccc(F)c(F)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUAJHGJLZDYFO-OQLLNIDSSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cccc(F)c2F)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIRMUXGUWIMNIQ-CXUHLZMHSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cc(F)cc(F)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZYNQYSYGTYBAP-OVCLIPMQSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cc(F)c(F)c(F)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTVLFDCEUEIBH-LICLKQGHSA-N", "SMILES:CC(=O)N1/C(=C/NCc2ccc(F)c(F)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBVZJHCCYCUKA-LFIBNONCSA-N", "SMILES:COc1ccccc1N/C=C1\\C(=O)c2ccccc2N1C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBJRAFZQQDFLA-GZTJUZNOSA-N", "SMILES:COc1cccc(N/C=C2\\C(=O)c3ccccc3N2C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUTXVQUOLOVJMM-LFIBNONCSA-N", "SMILES:COc1ccc(N/C=C2\\C(=O)c3ccccc3N2C(C)=O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBUCNIDCJDVRD-GZTJUZNOSA-N", "SMILES:COc1ccc(OC)c(N/C=C2\\C(=O)c3ccccc3N2C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPOCXKXJUCWFMJ-LFIBNONCSA-N", "SMILES:COc1cc(N/C=C2\\C(=O)c3ccccc3N2C(C)=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGSCHSZEDMPABR-LDADJPATSA-N", "SMILES:CCOc1ccc(N/C=C2\\C(=O)c3ccccc3N2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPCHHPFHAQWBCH-XSFVSMFZSA-N", "SMILES:CCCCOc1ccc(N/C=C2\\C(=O)c3ccccc3N2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOPPABQLPNLWCS-MHWRWJLKSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccccc2C(F)(F)F)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUNBJFBKQALXEL-MHWRWJLKSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGNXEPWWLMIPEZ-MHWRWJLKSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIXZMGQWRSFVSP-MHWRWJLKSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cccc(OC(F)(F)F)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVZNQQOSPXWDH-MHWRWJLKSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccc(OC(F)(F)F)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYNOKKNBILJBSU-LDADJPATSA-N", "SMILES:CCOC(=O)c1cccc(N/C=C2\\C(=O)c3ccccc3N2C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDFCXJAERPVHAS-MHWRWJLKSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cccc(S(N)(=O)=O)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAFPWTPVYTVQKA-GXDHUFHOSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccccn2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIXRYHZIXPJONO-XNTDXEJSSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccncc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618681", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTDRGCQDQAMHI-XQNSMLJCSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cccc(Cc3ccccc3)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBUKPPKOLCZCL-XQNSMLJCSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccc(Cc3ccccc3)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJLKGZWXIGYFFH-PXLXIMEGSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cccc(Oc3ccccc3)c2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYESZCAEGXMWLZ-PXLXIMEGSA-N", "SMILES:CC(=O)N1/C(=C/Nc2ccc(Nc3ccccc3)cc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCEBNFBLYTZCAY-WOJGMQOQSA-N", "SMILES:COc1ccc(N/C=C2\\C(=O)c3cc(OC)ccc3N2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWWYCFAGYIGQSW-XDHOZWIPSA-N", "SMILES:CCOC(=O)c1cccc(N/C=C2\\C(=O)c3cc(OC)ccc3N2C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFUDVIDYBDXTME-LICLKQGHSA-N", "SMILES:COc1ccc(N/C=C2\\C(=O)c3cc(Cl)ccc3N2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIHDKHHIQCOAOW-WOJGMQOQSA-N", "SMILES:CCOC(=O)c1cccc(N/C=C2\\C(=O)c3cc(Cl)ccc3N2C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTDUOFXTGBWQEK-XNTDXEJSSA-N", "SMILES:COc1ccc(N/C=C2\\C(=O)c3cccnc3N2C(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXAFOMFGFRHGAL-LFIBNONCSA-N", "SMILES:CCOC(=O)c1cccc(N/C=C2\\C(=O)c3cccnc3N2C(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSWKKVJQKFEFQT-NTEUORMPSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cccc(F)c2)C(=O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNVXAZDGTGDYOR-XSFVSMFZSA-N", "SMILES:CC(=O)N1/C(=C/Nc2cccc(Oc3ccccc3)c2)C(=O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGCAPYFHNXDRSZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3cn(Cc4ccc(C(N)=O)cc4)nn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVHPIIQNDMCEQU-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3cn(CC(=O)NC4CC4)nn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMFIDZLWGKZHOH-UHFFFAOYSA-N", "SMILES:COC(=O)CCCn1cc(CN2CCC(Nc3nccc(Oc4c(C)cc(C#N)cc4C)n3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDOBCCPAGGZPM-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3cn(CC(=O)N4CCOCC4)nn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPLAGRNLJWPHDC-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3cn(CC(=O)NC4CC4)nn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQNZVXWYMYURDT-AATRIKPKSA-N", "SMILES:CCOC(=O)Cn1cc(CN2CCC(Nc3nccc(Oc4c(C)cc(/C=C/C#N)cc4C)n3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSOCCJBTFFZPEH-SNAWJCMRSA-N", "SMILES:COC(=O)Cn1cc(CN2CCC(Nc3nccc(Oc4c(C)cc(/C=C/C#N)cc4C)n3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXJNEMOHXMWCI-GQCTYLIASA-N", "SMILES:COC(=O)CCCn1cc(CN2CCC(Nc3nccc(Oc4c(C)cc(/C=C/C#N)cc4C)n3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNRQVEBHOZWNLO-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3cn(Cc4ccc(B(O)O)cc4)nn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRRQAIAGMWKZHP-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cn(CC(N)=O)nn3)CC2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHIIPYBTIDQHTB-SNAWJCMRSA-N", "SMILES:CNC(=O)Cn1cc(CN2CCC(Nc3nc(Oc4c(C)cc(/C=C/C#N)cc4C)c4ccsc4n3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZRBHYSXOAJDCB-AATRIKPKSA-N", "SMILES:CCNC(=O)Cn1cc(CN2CCC(Nc3nc(Oc4c(C)cc(/C=C/C#N)cc4C)c4ccsc4n3)CC2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQDHJYXJEJGYHX-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cn(CC(=O)NC4CC4)nn3)CC2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIPFQLPPIOXYBK-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cn(CC(=O)NC4CCOCC4)nn3)CC2)nc2sccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJOGHXUTRUGZRW-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3cn(CC(=O)Nc4ccc(S(C)(=O)=O)cc4)nn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STNSBQRLORXCLN-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3cn(Cc4ccccc4C#N)nn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKZTVGLFJKEPNA-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(NCCc2cn(Cc3ccc(Cl)cc3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWUJPGKVEXTTOC-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1cc(CCNc2nccc(Oc3c(C)cc(C#N)cc3C)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFYFYACWSJJTGZ-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(NCCc2cn(Cc3ccc(S(N)(=O)=O)cc3)nn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPWNQXLRNSCOOI-SNAWJCMRSA-N", "SMILES:COC(=O)Cn1cc(CCNc2nccc(Oc3c(C)cc(/C=C/C#N)cc3C)n2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPPKNIXYKLUMU-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3cn(Cc4ccc(S(N)(=O)=O)cc4)nn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOBMWRJVYVZMPY-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3cn(Cc4ccc(B(O)O)cc4)nn3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGJSOWKZKLYSTB-UHFFFAOYSA-N", "SMILES:CCn1c2ccc(CNC)cc2c2ccc(-c3cc(C)cs3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618250", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAOQDHPODKJQRQ-UHFFFAOYSA-N", "SMILES:C=C(C)C(=O)n1cc(C)c2c(-c3ccc4c(c3)CCN(C)C4)cncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUDOWMACBRPLEH-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBGLIJNZDGBKM-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZOOHBLUULBFOX-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSWFUIOOBFXPEG-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2Cc1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWXHAVOVZQLIR-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2COCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXASPAPJHQKIFE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1ccc(Cn2cnc3c(NC)nc(C#Cc4ccccc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTBCNMKSLLPZCW-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2Cc1cccc(C(=O)OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GELCCPXSUXIXBW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccc(Cn2cnc3c(NC)nc(C#Cc4ccccc4)nc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTXIRSJKPSMBQ-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2Cc1ccc(C(=O)N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGEDJBOYKCCMEF-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2-c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUCSVOUYXYSQFG-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2-c1cccc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPOZJDIQOQOQMG-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFVZDPWFIBOYLZ-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2-c1ccc(N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIRYRNKFCIUJLC-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2-c1cccc([N+](=O)[O-])c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHONXXMBONTCRL-UHFFFAOYSA-N", "SMILES:CNc1nc(C#Cc2ccccc2)nc2c1ncn2-c1cccc(C(N)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL541214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEPAAIQAIYOLJA-UHFFFAOYSA-N", "SMILES:O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVVNHIFLGPWASE-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc3ccc(NCC4CC4)cc3c2F)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL590122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQYFRRLUZSIOTL-DEOSSOPVSA-N", "SMILES:CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL259628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWJOQFMMTKEZGA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OADLYFBQFFZCCM-BGVJURHFSA-N", "SMILES:COc1cc(CC(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)C(=O)N[C@@H](CCCCNC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJYRSQLWJMEJNM-UHFFFAOYSA-N", "SMILES:CC(C)(O)CCOc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTMBXPFOFSWPOP-QMMMGPOBSA-N", "SMILES:O=C1CN(c2c(O)cc3c(c2F)C[C@H](NCCCC(F)F)CS3)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTRFCUCEJIBDSE-SNVBAGLBSA-N", "SMILES:O=C1CN(c2c(O)cc3c(c2F)C[C@H](NCCC(F)F)N3)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBQTXKXKXGAGT-KGYLQXTDSA-N", "SMILES:CC(C)CCN[C@@H]1C[C@H]2C[C@@H]1c1c2cc(O)c(N2CC(=O)NS2(=O)=O)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZALVWNZBKXRAP-UHFFFAOYSA-N", "SMILES:CC(C)CCNC1CNc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBPXKGENJEDNF-LBPRGKRZSA-N", "SMILES:CC1(C)CCC[C@H](NCc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXBACQLMYJEOX-LLVKDONJSA-N", "SMILES:CC[C@@H]1CCN(CCc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQDGBVHJNYSFAV-UHFFFAOYSA-N", "SMILES:O=C1CN(c2c(O)cc(NC(=O)NC3CCCCC3)cc2F)S(=O)(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQCMFHAFPWWDAP-UHFFFAOYSA-N", "SMILES:CC1CCN=C(Nc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5201246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMDPRTOSNLYXIQ-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFIWQXBAKREPTL-UHFFFAOYSA-N", "SMILES:CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cccnc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5082462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWFKBEYTFLQWEP-UHFFFAOYSA-N", "SMILES:COc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTRNSKJQIVSFJT-UHFFFAOYSA-N", "SMILES:O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3Cl)s2)C1c1ccccc1O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQJWMJOEBDXBHH-YDVKLCRXSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAZAWFHPPSLIAB-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCRWACFWFJCVQP-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1ccc2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGIJPKCUSIDDC-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEXLGAYXVXKSOB-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccc(C(=O)NO)cc2)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAOXQBUEUKVVLS-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccc(C(=O)NO)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRUDRMWAOBTYQG-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccc(C(=O)NO)cc2)c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLTFYYZMMQHBDN-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1c[nH]c2ccccc12)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SICQJFVWERAEQV-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFSDOCQHMXOYPM-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc2ccccc2[nH]1)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNPJIBWYSDMJEQ-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1c[nH]c2ccccc12)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGCVJLTVNZYKAR-UHFFFAOYSA-N", "SMILES:Cn1cc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHLQZZYEINYED-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc2ccccc2[nH]1)NC1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618278", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGUDHGLURVRSGE-UHFFFAOYSA-N", "SMILES:O=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1c[nH]c2ccccc12)NC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGCXQXMMBTZFEZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(C)(C)NC(=O)CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620205", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQBXXILKOIKSK-UHFFFAOYSA-N", "SMILES:COC(=O)CNC(=O)CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDKFYBGZNMIHI-UHFFFAOYSA-N", "SMILES:CC(C)(C)NC(=O)CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1nccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWPDOWODXGMGBJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NCCc2c[nH]c3ccc(N(C)C)cc23)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKVUDUKZQAMEHP-ZDUSSCGKSA-N", "SMILES:CC(C)C[C@@H](CO)N1CCc2c(oc3c2C(=O)C(=O)c2ccccc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYZBPVRUVZVNKW-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(oc3c2CCN(CCO)C3)-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDOLFVDZJFTEN-UHFFFAOYSA-N", "SMILES:O=C1C(=O)c2c(oc3c2CCN(CCCO)C3)-c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIGNWPVZUANIM-JTQLQIEISA-N", "SMILES:C[C@@H](CO)N1CCc2c(oc3c2C(=O)C(=O)c2ccccc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOJZILSNTGQDJR-UHFFFAOYSA-N", "SMILES:CNC(=O)CCN1CCc2c(oc3c2C(=O)C(=O)c2ccccc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRQZXACQHOCMAC-JTQLQIEISA-N", "SMILES:CNC(=O)[C@H](C)N1CCc2c(oc3c2C(=O)C(=O)c2ccccc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTTGMGGTPFQUEA-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCc2c(oc3c2C(=O)C(=O)c2ccccc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQIFJSYMXGCLRK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)N1CCc2c(oc3c2C(=O)C(=O)c2ccccc2-3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOUFKZORGFYORX-UHFFFAOYSA-N", "SMILES:Cc1nscc1C(=O)Nc1nc2cc3c(cc2s1)OCCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLGXBYSFKYJZHB-UHFFFAOYSA-N", "SMILES:Cc1noc(C)c1NC(=O)COc1ccc2c(c1)CCC(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POEQNNUAWXEDDI-CYBMUJFWSA-N", "SMILES:Cc1nccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFEHIYDBBOSKAR-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)CCO3)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHSAFZANMAFVJD-UHFFFAOYSA-N", "SMILES:CCOc1ccc(C(C)NC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYASYXZUOPJOHF-UHFFFAOYSA-N", "SMILES:Cc1cnc2c(c1)N(C(=O)COc1ccc(Cl)c(C)c1)CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDLAMDMMOGRPSI-UHFFFAOYSA-N", "SMILES:CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKEOCKUWSYNTNL-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUJRIKRKXKYIMG-UHFFFAOYSA-N", "SMILES:NC(=O)C(NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISVVMYLTSJLDV-YBFXNURJSA-N", "SMILES:COc1cc(/C=N/c2ccc(N3N=C(C)CC3=O)cc2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1902352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRRRFZBOHFCCKT-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1873552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNFLAUPKYSXJGU-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N3CCOCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMGVTFXOMRJIGP-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACMFIUXIFHKHME-UHFFFAOYSA-N", "SMILES:CNc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(OC)c(OC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GATJDYRSKIYBTG-UHFFFAOYSA-N", "SMILES:COc1cc2nc(N)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQLLFWRBCINII-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccccc3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL596639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGLMINHDDNFQAQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBYBXXAIGPOFGZ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(CN)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGUHHEJDRQEANN-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NC3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIHPXJVMPDXAPA-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(N(C)C3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWHKZBXZQPXJIW-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(OC3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHAMHTOIPLMKAJ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NC3CCCCC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIBIEKBNDSBXHC-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NC3CCOCC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONOLYLSLISVTAP-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(N3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEDLMTXNDFCUFX-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(Nc3ccc(N4CCN(C)CC4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYSJCUCYFALERS-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NCC3CCN(C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDTVFFZVADKKQG-UHFFFAOYSA-N", "SMILES:CCN1CCC(Nc2nc(C#N)nc3cc(OC)c(OC)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRIOJNGETURVST-UHFFFAOYSA-N", "SMILES:CCCN1CCC(Nc2nc(C#N)nc3cc(OC)c(OC)cc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDXJGCAGCTXDRG-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NC3CCN(C4CC4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQAARXJRZUFJKI-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NC3CCN(C4CCCCC4)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTPYZAFHAPPTJK-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NC3CCN(C(C)=O)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKWAXMFGWYFMG-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBRYCFHSLJOEQ-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C#N)nc(NC3CCNCC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJQMXNNYDNXPET-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C#N)nc(NC3CCN(C(C)C)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDXVCKAXKWPDSL-UHFFFAOYSA-N", "SMILES:COc1ccc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBVBNGKLTNAJCS-UHFFFAOYSA-N", "SMILES:CC(C)N1CCC(Nc2nc(C#N)nc3ccccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUDKKEZRPIXPOS-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAWSCZTXTMNFJI-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXHXSWUSAUPXII-UHFFFAOYSA-N", "SMILES:COCCOc1cc2nc(C#N)nc(NC3CCN(C(C)C)CC3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCPRZYIZJCZAJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BACWJOQHWZTVKP-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKOPTDGSKGKLTJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIFXSVGCYBHXHR-PXDATVDWSA-N", "SMILES:COc1cc(F)c(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJYWIMRIBDTXII-UTKZUKDTSA-N", "SMILES:CO[C@@H]1CCN(c2cc(-n3ncc4ccc([C@]5(C)CC56CC6)cc43)ncn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKVBERHBEIATDF-LJQANCHMSA-N", "SMILES:Cc1cc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)nc(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOMYQKRMCGRZSK-QGZVFWFLSA-N", "SMILES:Cc1nc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WULMJLYTTAOWST-QGZVFWFLSA-N", "SMILES:Cn1ccc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IENKCBSKCRGKNY-UHFFFAOYSA-N", "SMILES:Cn1ccc(-n2ncc3cc(Cl)c(C4CCN(C5COC5)CC4)cc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNTMOHJVKJNXDF-UHFFFAOYSA-N", "SMILES:Cn1cc(-n2ncc3cc(Cl)c(C4CCN(C5COC5)CC4)cc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVPXBXFMUREXPT-WJTHNFPRSA-N", "SMILES:C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDGFAMFACDRMNM-UHFFFAOYSA-N", "SMILES:Cn1cc(-n2ncc3cc(Cl)c(C4CCN(C5(C)COC5)CC4)cc32)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOGPQINACYFZMH-UHFFFAOYSA-N", "SMILES:CC1(N2CCC(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAIYQBHVGMDAEL-KESTWPANSA-N", "SMILES:CO[C@H]1C[C@H](n2cc(-n3ncc4cc(Cl)c(C5CCN(C6(C)COC6)CC5)cc43)cn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJFSAICLTRGVQR-UHFFFAOYSA-N", "SMILES:CC1(N2CCC(c3cc4c(cnn4-c4cnn(C(F)F)c4)cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXFJJBCHCKBIKS-UHFFFAOYSA-N", "SMILES:CC1(N2CCC(c3cc4c(cnn4-c4cnn(-c5ncc(F)cn5)c4)cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SREZIHXLKKNUCJ-UHFFFAOYSA-N", "SMILES:CC1(N2CCN(c3cc4c(cnn4-c4cnn(-c5ncc(F)cn5)c4)cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKCLLMDFVUEORQ-UHFFFAOYSA-N", "SMILES:CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBKBRVUZFWVRP-UHFFFAOYSA-N", "SMILES:COC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN(C7(C)COC7)CC6)cc54)cn3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSMAMRZWCSITF-UHFFFAOYSA-N", "SMILES:COCC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN(C7(C)COC7)CC6)cc54)cn3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKWGAEABTCYHNM-UHFFFAOYSA-N", "SMILES:CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C(F)F)(C5)C6)c4)cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRQWIUPNPKIXPG-UHFFFAOYSA-N", "SMILES:CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C#N)(C5)C6)c4)cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPKRALQZRMMSSU-UHFFFAOYSA-N", "SMILES:CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZQZMAGNJVDDDR-UHFFFAOYSA-N", "SMILES:CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODPILFONLMLOQ-FCHUYYIVSA-N", "SMILES:C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DODPILFONLMLOQ-FGZHOGPDSA-N", "SMILES:C[C@@]1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBBCHLHLCJAAPR-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(=O)Nc2cccc(-n3cnc(C)c3)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLMHLPINPAZKHD-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJICGLBGXOHEB-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(=O)Nc2cc(-n3cnc4ccccc43)cc(C(F)(F)F)c2)c2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJYXOGWIXEWFQ-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)c2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZZMLBPRFFVSID-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc(O)nc4ccccc34)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WENRTIDTDJOGFC-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccnc4ccccc34)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKLCMRYMXIONP-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3c[nH]c4ccccc34)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOMQFRROCVVKEM-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cccc4ccccc34)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZANWUFCLMWRO-UHFFFAOYSA-N", "SMILES:CCCCOc1cc(C(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OETCTWMUHSSAQE-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQJSKIXMQGHTHI-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccccc3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMVYITVFDLNUOR-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)Cc3ccccc3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJIYGPRRLULEMD-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)CCc3ccccc3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTRQPBMQHSQCD-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)Cc3ccccc3Cl)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFBWRGODIBCQJH-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)Cc3cccc(Cl)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJZQERGPZAIWGK-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)Cc3ccc(Cl)cc3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHHLGHGPSGLOPI-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)Cc3ccccc3C(F)(F)F)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJAOTBJWWXWSDY-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)Cc3ccccc3C#N)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOIUDZWNGKXRJQ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)Cc3c(Cl)cccc3Cl)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRVXOHINPJZHFF-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)Cc3cccc(Cl)c3Cl)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSWIAZDCCONHPX-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)Cc3ccc(Cl)cc3Cl)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNEQKRIGZKMAPX-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)c3ccnc4ccccc34)cc(C(F)(F)F)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRKALQYSRSDLL-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2cc(NC(=O)Cc3ccccc3Cl)cc(C(F)(F)F)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQWGWXCHLHGZFM-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(NC(=O)c3ccnc4ccccc34)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSNIVOZSZYSVSU-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2cc(NC(=O)Cc3ccccc3Cl)cc(C(F)(F)F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIMLCHHUJFOQBT-CJFMBICVSA-N", "SMILES:COc1cc(CN2[C@H]3c4ccccc4OC[C@H]3CN2C(=O)C2CCCCC2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIMLCHHUJFOQBT-CPJSRVTESA-N", "SMILES:COc1cc(CN2[C@@H]3c4ccccc4OC[C@@H]3CN2C(=O)C2CCCCC2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIHWSYUGQWXXBX-ZJSXRUAMSA-N", "SMILES:O=C(C1CCCCC1)N1C[C@@H]2COc3ccccc3[C@@H]2N1Cc1cccc(-c2ncon2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFIYHYUCRGZDCI-ZEQKJWHPSA-N", "SMILES:O=C(C1CCCCC1)N1C[C@@H]2COc3ccccc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBPCRHBKTGGYRS-PXDATVDWSA-N", "SMILES:O=C(C1CCCCC1)N1C[C@@H]2COc3ccccc3[C@@H]2N1Cc1cccc(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYSQHUALQGVNP-ATIYNZHBSA-N", "SMILES:O=C(C1CCCCC1)N1C[C@@H]2COc3cc(F)ccc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKMFDRZEDLKDEL-RCZVLFRGSA-N", "SMILES:O=C(C1CCCCC1)N1C[C@@H]2COc3cccnc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQPVUWXLKQQII-PXDATVDWSA-N", "SMILES:O=C(C1CCCCC1)N1C[C@@H]2COc3cc(F)cnc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMLLBECGTRIHGC-RPLLCQBOSA-N", "SMILES:CN1C[C@H]2CN(C(=O)C3CCCCC3)N(Cc3cccc(-c4ncccn4)c3)[C@H]2c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLPWPVJKPCLZAL-JYFHCDHNSA-N", "SMILES:CN1C[C@H]2CN(C(=O)C3CCCCC3)N(Cc3cccc(-c4ncccn4)c3)[C@H]2c2ncccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MASVQPOUODOSNG-AHKZPQOWSA-N", "SMILES:O=C(C1CCCCC1)N1C[C@@H]2CCc3ccccc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYVXYZQICUWOW-RPLLCQBOSA-N", "SMILES:O=C(C1CCCCC1)N1C[C@@H]2CCc3cc(F)ccc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOYWOUSWWTXOFQ-AZGAKELHSA-N", "SMILES:O=C(C1CCCCC1)N1C[C@@H]2CCc3cccnc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUSPCNSRGWNZOD-AZGAKELHSA-N", "SMILES:O=C(C1CCCCC1)N1C[C@@H]2Cc3ccccc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUNPFBVKEJBJDW-CJFMBICVSA-N", "SMILES:O=C(c1ccccn1)N1C[C@@H]2COc3cc(F)ccc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYNNVKWZVHGHEF-PXDATVDWSA-N", "SMILES:O=C(c1cccnc1)N1C[C@@H]2COc3cc(F)ccc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBOOMLHSTGFZSQ-CJFMBICVSA-N", "SMILES:O=C(c1cncc(F)c1)N1C[C@@H]2COc3cc(F)ccc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPEDZHZCLRBPSO-QFQXNSOFSA-N", "SMILES:COc1ccc(C(=O)N2C[C@@H]3COc4cc(F)ccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGUKCTFKQWNLSC-WZONZLPQSA-N", "SMILES:O=C(c1cscn1)N1C[C@@H]2COc3cc(F)ccc3[C@@H]2N1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQGLWMDRMSSGNV-NTKDMRAZSA-N", "SMILES:Cc1nc(C(=O)N2C[C@@H]3COc4cc(F)ccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFWCEAVXBWZYKA-AUSIDOKSSA-N", "SMILES:Cc1cnc(C(=O)N2C[C@@H]3COc4cc(F)ccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUAKDXOHUHYBRM-CJFMBICVSA-N", "SMILES:Cc1cc(C(=O)N2C[C@@H]3COc4cc(F)ccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)n(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWVCUHCCLAHPEK-NTKDMRAZSA-N", "SMILES:Cn1ccc(C(=O)N2C[C@@H]3COc4cc(F)ccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGCYMZXGGJWTPE-CJFMBICVSA-N", "SMILES:Cc1cc(C(=O)N2C[C@@H]3COc4cc(F)ccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKZNWYLSCFXDCS-WIOPSUGQSA-N", "SMILES:Cn1ccc(C(=O)N2C[C@@H]3CCc4ccccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLZGOXPNQUWLR-JYFHCDHNSA-N", "SMILES:Cc1cc(C(=O)N2C[C@@H]3CCc4ccccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPORFXWIBQIBLN-SQJMNOBHSA-N", "SMILES:Cn1ccc(C(=O)N2C[C@@H]3CCc4cc(F)ccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQBQPKYTEMWHQG-BKMJKUGQSA-N", "SMILES:Cc1cc(C(=O)N2C[C@@H]3CCc4cc(F)ccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGACWIDYYAHGDD-XUZZJYLKSA-N", "SMILES:Cn1ccc(C(=O)N2C[C@@H]3Cc4ccccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZDDFRNAUZJYNB-WIOPSUGQSA-N", "SMILES:Cc1cc(C(=O)N2C[C@@H]3Cc4ccccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYJXHSMRSNKPCL-GBXCKJPGSA-N", "SMILES:Cn1ccc(C(=O)N2C[C@@H]3Cc4cc(F)ccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZZWRPQBVSLOP-SQJMNOBHSA-N", "SMILES:Cc1cc(C(=O)N2C[C@@H]3Cc4cc(F)ccc4[C@@H]3N2Cc2cccc(-c3ncccn3)c2)nn1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVFDHINOEJGHTJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-c1ccccc1)N1CCCN1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMYRYDFEWLATQI-UHFFFAOYSA-N", "SMILES:O=C(c1cccc(-c2ccccc2)c1)N1CCCN1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLINKHARPOJPKX-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1-n1nccn1)N1CCCN1Cc1cccc(-c2ncccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAFQCEGEQYCFCR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCCN2Cc2cccc(-c3ncccn3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHSULABMWQXHMG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCCN2Cc2ccn(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQBPICDNFNTNHQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCCN2Cc2cnn(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRUBYJLGIKYBAN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCCN2Cc2cc(-c3ccccc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJIOQYNIYMMLJX-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCCN2Cc2cc(-c3ccccc3)[nH]n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQAUBUKTUAAFTO-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCCN2Cc2ncn(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRZLARRAZSSNB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N2CCCN2Cc2cnc(-c3ccccc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZIPKNLJWRDAKV-UHFFFAOYSA-N", "SMILES:Nc1ccc(OCCC2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FANMULJXVYCLCS-AGSYVRMUSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCCCCC/C=C\\CCC[C@@](C)(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVSIRHNEOYJJMI-XSGOHMFISA-N", "SMILES:C#CCN(Cc1nc(-c2ccccc2)oc1C)C1C[C@@H]2C[C@H]([C@H]1C)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REWBXBSHPDNQFU-SSADRMGMSA-N", "SMILES:C[C@@H]1[C@H]2C[C@@H](C[C@H]1NCc1cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3ccccc13)C2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JASHZACKGXIQJQ-IPMKNSEASA-N", "SMILES:CCC(CC)O[C@@H]1C=C(C(=O)OCCN2CCOCC2)C[C@H](N)[C@H]1NC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4093072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESIPGFJCAYASD-FXQQBHSYSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CULJGXLUNCKLPK-TYRJSBRKSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RULSXWFZXUOCOD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(O)cc(O)c(Cl)c1CC(=O)Nc1cc(O)c(OC)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4514227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBURLVUZHNXWGR-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(-c2nc(NN)nc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIPYRKNROAWEPK-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2ccc(Nc3ccnc(N4CCCC4)n3)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4747476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYUDEJPTFOFYJS-UHFFFAOYSA-N", "SMILES:Cc1c(C)c(S(=O)(=O)Nc2ccc(Nc3ccnc(N4CCNCC4)n3)cc2)c(C)c2c1OC(C)(C)C2.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXBDOPHJFNMDZ-UHFFFAOYSA-N", "SMILES:COc1cc(S(=O)(=O)Nc2ccc(Nc3ccnc(N4CCCC4)n3)cc2)c(C)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYECOAWIYAVMFN-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2ccoc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFZZUXJALSECMK-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(-c2onc(C(N)=O)c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDCQPNSQDQCBFM-UHFFFAOYSA-N", "SMILES:COc1ccc(CN2CCC(NC(=O)c3noc(-c4cc(Cl)c(O)cc4O)c3-c3ccc(OC)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQHOVOFQMVYWSJ-VAWYXSNFSA-N", "SMILES:COc1ccc(-c2c(/C=C/C(=O)N3CCN(c4ccccc4OC)CC3)noc2-c2cc(Cl)c(O)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWLMGVUDHASCAP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHJPTCOCQOYLAD-UHFFFAOYSA-N", "SMILES:N#Cc1c(N)nc2sc(C(N)=O)c(N)c2c1-c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620206", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTALUNCVHPQQK-UHFFFAOYSA-N", "SMILES:C#Cc1nc(C2=C(C)C(O)CC2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LNLTWNBLMRAGJB-SFQUDFHCSA-N", "SMILES:C#Cc1nc(C2=C(C)C(OC(C)=O)/C(=N/OC(C)=O)C2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPKFASLOCDVGBK-XDHOZWIPSA-N", "SMILES:C#Cc1nc(C2=C(C)C(OC(=O)CC)/C(=N/OC(=O)CC)C2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL211405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVSFSADBOJYPGF-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1"], "synonym": ["ORG-41841"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRAJNVQCXOHLNI-UHFFFAOYSA-N", "SMILES:CC(c1ccccc1)c1nc(N2CCNCC2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOURGSGRNPMZHA-UHFFFAOYSA-N", "SMILES:CCCc1ccc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1703522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSMTUGVTULQMSP-UHFFFAOYSA-N", "SMILES:COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1332208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPNJPCYYDZIJJR-UHFFFAOYSA-N", "SMILES:COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1515891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRVXFGNCHKHBPA-UHFFFAOYSA-N", "SMILES:COc1ccc(C2Nc3cccc(O)c3C(=O)N2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXECNSUVDZQPHW-UHFFFAOYSA-N", "SMILES:CC(C)N(C(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRJLZKUONIFOEQ-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C(F)(F)F)cc2)NC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFAAHWRKTWCNPN-VOTSOKGWSA-N", "SMILES:COC/C=C/c1ccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQUDKBNLFQSNDK-UHFFFAOYSA-N", "SMILES:CNc1nc(-c2c(-c3ccccc3)[nH]c3ccccc23)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOEFWCOWBKDSQX-MHZLTWQESA-N", "SMILES:CC(=O)N1CC[C@@](C)(c2ccccc2)c2cc(NC(=O)CCc3cccc(C(F)(F)F)c3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODFGSMOTQLYMHU-UHFFFAOYSA-N", "SMILES:COc1ccc(C2Nc3ccccc3C(=O)N2Cc2cccnc2)cc1COc1c(C)cccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFTSWGYWHRJVNI-UHFFFAOYSA-N", "SMILES:COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWEKXBSPGJHXNK-UHFFFAOYSA-N", "SMILES:O=C(CCl)c1c[nH]c2cc(Cl)c(OCc3cccc(C(F)(F)F)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JETHRNCQQWIYDV-KBRVTTTOSA-N", "SMILES:[O-][N+]12CCC[C@]3(O)CCCCCC[C@H]4CCN5CCC[C@@H](CCCCCC[C@@H](CC1)O[C@@H]32)[C@@H]5O4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5618428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNJCTXIKSFCWJW-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccccc3)ncc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWHUSEJLNSNNRK-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(Br)cc3)ncc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVENYTLPDNXSDG-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(F)cc3)ncc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFTAMWYJFXXIKU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3ccc(OC)c(OC)c3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADNCNEZISXJIPA-BZLHJXTRSA-N", "SMILES:COc1ccc2cc(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)ncc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCOOXYBDYNSJRV-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3cccs3)ncc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKYFRIWEXRZGTC-UHFFFAOYSA-N", "SMILES:Oc1cccc2cc(-c3ccccc3)ncc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMIGWJDSMGUMSC-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccccc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKECQGFEGAUWSD-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc4c(c3)OCO4)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHZNRLGAMIRVHA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc3ccc(OC)c(O)c3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRQGAWDLFWGMGT-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZXQUWRELTGLP-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3cccs3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVYVNBUVIYZVNA-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(C(=O)Nc4ccccc4)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRMUCUQFJPKEBX-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NC(=O)c4ccccc4)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYLRKNHFUVYLOO-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc(-c3cc4ccc(OC)c(O)c4cn3)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGADLINWZIFEEJ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NC(C)=O)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAJUXKHLTGPZEW-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NC(=O)C(C)(C)C)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXSBDDMLDGKLKO-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUDKZTURAILODR-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NS(C)(=O)=O)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAIIADUHWREBDV-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NS(=O)(=O)C(F)(F)F)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWXLUMROKUGTDD-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHJDDOKHHJECJL-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NS(=O)(=O)N4CCCCC4)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAGNHYDLXODDLR-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOUOYHYQCSNXJQ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(C(C)(C)C)cc3)ncc2c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYBMWUWTIHGAH-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(F)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQIYHFJNSWJMU-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3ccccc3)ccc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXOTXCFPRAWKEK-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STPLLJNCSJLWDQ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)ncc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL203135", "category": ["biolink:ChemicalEntity"], "name": "BERBERRUBINE", "xref": ["InChIKey:GLYPKDKODVRYGP-UHFFFAOYSA-O", "SMILES:COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2363137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXNUEXXEQGQWPA-UHFFFAOYSA-N", "SMILES:Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL284768", "category": ["biolink:ChemicalEntity"], "name": "MIFOBATE", "xref": ["InChIKey:VQHUQHAPWMNBLP-UHFFFAOYSA-N", "SMILES:COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC"], "synonym": ["Mifobate", "Mifobato", "Claniclor", "SR-202", "Clenicor", "Mifobate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPRNMFEJIIKQS-WIIYFNMSSA-N", "SMILES:O=C1CCC(N2Cc3c(cccc3C3=C[C@]3(C(=O)OCC(Cl)(Cl)Cl)c3ccc(Br)cc3)C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJPRNMFEJIIKQS-JKSFWZLDSA-N", "SMILES:O=C1CCC(N2Cc3c(cccc3C3=C[C@@]3(C(=O)OCC(Cl)(Cl)Cl)c3ccc(Br)cc3)C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVMYAADQINSFHD-UCSBTNPJSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(C4=C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVMYAADQINSFHD-FZYLFJGDSA-N", "SMILES:O=C1CCC(N2C(=O)c3cccc(C4=C[C@@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFIRTWGENGZXDW-JKSFWZLDSA-N", "SMILES:O=C1CCC(N2Cc3cc(C4=C[C@@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKMEHIIJSOLLY-LUTIACGYSA-N", "SMILES:O=C1CCC(N2C(=O)c3ccc(C4=C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITKMEHIIJSOLLY-VCUSLETLSA-N", "SMILES:O=C1CCC(N2C(=O)c3ccc(C4=C[C@@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFPPFUYFOLLWSU-WEYXIGNSSA-N", "SMILES:O=C1CCC(N2Cc3cc([C@H]4C[C@@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)ccc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNLJYDQMMAMQCI-UOZFTJLZSA-N", "SMILES:O=C1CCC(N2C(=O)c3ccc([C@H]4C[C@@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFWHTZCREORPEM-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccc(Cl)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWEAPVSZAHZTHG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccc(OCCNC(C)C)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAQXIFQQTLXRNG-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccc(OCCN3CCOCC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAFIGBIGZBXCGJ-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3cc(C#Cc4cnc5ccc(OCCN6CCOCC6)nn45)c(C)cc3F)cc(C(C)(C)C#N)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWTCFVXYHATIFE-UHFFFAOYSA-N", "SMILES:COc1ccc(Nc2ccc3ncc(C#Cc4cc(C(=O)Nc5cc(CN6CCN(C)CC6)cc(C(F)(F)F)c5)ccc4C)n3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWRYPZJFNFQTHP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccc(N3CCOCC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUVSRBXOEIFKSG-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1nc2ccc(Nc3cc(C)[nH]n3)nn2c1C#Cc1cc(C(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTIBYWGZNANJNM-RDTXWAMCSA-N", "SMILES:C#CCN(C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVFYJNPJWLRFGM-DNVCBOLYSA-N", "SMILES:C#CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXFQFYWLCSWPTG-RDTXWAMCSA-N", "SMILES:CCN(CC#N)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPOYDTCUIXGJSJ-RDTXWAMCSA-N", "SMILES:CCN(CCF)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRDOBNBWCPVRPC-CXAGYDPISA-N", "SMILES:CCN(CC(F)F)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAHPXTJQSWECIC-CXAGYDPISA-N", "SMILES:CCN(CC(F)(F)F)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCWFVDGZHZBCCE-MLGOLLRUSA-N", "SMILES:CN(CC(F)(F)F)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMXZWHNKHPFUCH-CXAGYDPISA-N", "SMILES:CN1C[C@H](C(=O)N(CCF)CC(F)F)C=C2c3cccc4[nH]cc(c34)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZPWECUJEHPMTM-MLGOLLRUSA-N", "SMILES:CN1C[C@H](C(=O)N(CC(F)F)CC(F)F)C=C2c3cccc4[nH]cc(c34)C[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSGVMHBFYDFDLP-UHFFFAOYSA-N", "SMILES:COc1cccc(Nc2ncnc3c(NN)ncnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTECOBSICVLCOU-ZNLRHDTNSA-N", "SMILES:COc1ccc(Nc2ncnc3c(N/N=C/c4cc(O)c(O)c(O)c4)ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIMQLUGRRRKKC-GESPGMLMSA-N", "SMILES:COc1cc(/C=N/Nc2ncnc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNISNPIXSVICQS-GESPGMLMSA-N", "SMILES:COc1ccc(/C=N/Nc2ncnc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMBVRFISWAGJQE-GOTRBWPWSA-N", "SMILES:Oc1cc(/C=N/Nc2ncnc3c(Nc4ccc(F)c(Cl)c4)ncnc23)cc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKQOYQFSXXWWPN-FMSSBYAVSA-N", "SMILES:Oc1cc(/C=N/Nc2ncnc3c(Nc4ccc(Cl)c(C(F)(F)F)c4)ncnc23)cc(O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4207969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXTSSGLLPOYFAL-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBMAAVQJDFIFOJ-UHFFFAOYSA-N", "SMILES:COc1ccc(CC(=O)n2nc(-c3cccnc3)nc2N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSEYDDBNEWEMNO-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2nc(-c3cccnc3)cc2N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQLAPKSDZQHMSN-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2nc(-c3ccncc3)cc2N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFROAOXNWVABNF-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2nc(-c3ccccn3)cc2N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMIJJDQSVFPQNQ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2nc(-c3cncnc3)cc2N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKXIHKXUAUVAIK-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)n2nc(-c3cnccn3)cc2N)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRLLETSWVHVKGN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc(N)n(C(=O)c3ccc(OC)c(OC)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYRFFUZUTVYXEX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N)n(C(=O)c3ccc(OC)c(OC)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLAVOAYJEKIWIR-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N)n(C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQIZXDMTVQEMPT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N)n(C(=O)c3ccc4ncoc4c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDBUSRKETBNAPV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N)n(C(=O)c3ccc4ocnc4c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFECRFPMTKITSI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N)n(C(=O)c3ccc4nc(C)oc4c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEZLAZPWXMAABV-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N)n(C(=O)c3ccc4oc(C)nc4c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOTGWOMFLPKXSB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(N)n(C(=O)c3ccc4[nH]cnc4c3)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPMXBHNNOATSAP-UHFFFAOYSA-N", "SMILES:CC(=O)[Se]c1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIHUAMSKWMGUNW-UHFFFAOYSA-N", "SMILES:CC(=O)Sc1ccccc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNGTVPOGLWZOMT-UHFFFAOYSA-N", "SMILES:Cc1c(Oc2ncc(Cl)cc2OCC(F)(F)F)ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGMACKISWWHUQV-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2nc3ccc(Oc4ncc(Cl)cc4OCC(F)(F)F)cn3n2)CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHFLAYUSAFYKGB-UHFFFAOYSA-N", "SMILES:Cc1c(Oc2ncc(Cl)cc2OCC(F)F)ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBELNDLYOCATPO-UHFFFAOYSA-N", "SMILES:CCOc1cc(Cl)cnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)nn2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZMHUVKILPAKRO-UHFFFAOYSA-N", "SMILES:CC1(NC(=O)c2nc3cc(F)c(Oc4ncc(Cl)cc4OCC(F)(F)F)cn3n2)CCS(=O)(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSKCCCDVACQIW-UHFFFAOYSA-N", "SMILES:Cc1c(Oc2ncc(Cl)cc2OCC(F)F)cc(F)c2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDDKIBBLWTYDGZ-UHFFFAOYSA-N", "SMILES:Cn1ncc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CC(=O)NCC4CC(=O)O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPMMWBWYSHWSMK-QMMMGPOBSA-N", "SMILES:C[C@@H]1C(=O)NCCc2[nH]c3c(Cl)c(Cl)cc(OCCCO)c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620249", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRCAEWCHTPOBMT-ZETCQYMHSA-N", "SMILES:C[C@@H]1C(=O)NCCc2[nH]c3c(Cl)c(Cl)cc(OCC#N)c3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQYWBDVGZKMUHJ-VIFPVBQESA-N", "SMILES:COCCCOc1cc(Cl)c(Cl)c2[nH]c3c(c12)[C@H](C)C(=O)NCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTVVNHTNKZOOQ-SECBINFHSA-N", "SMILES:CC(F)(F)C[C@@H]1CNC(=O)Cc2c1[nH]c1c(Cl)c(Cl)cc(CC#N)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWDBRXFRGCWEHS-VHSXEESVSA-N", "SMILES:COCC[C@@H]1CNC(=O)[C@@H](C)c2c1[nH]c1c(Cl)c(Cl)cc(NCCO)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLCWJERMAFBHHT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCCCCCc1cccc(O)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOLQSQUOOVXXLI-LJQANCHMSA-N", "SMILES:CN(C(=O)c1cc2cc(F)c(F)cc2[nH]1)[C@@H]1COCc2[nH]c(=O)c3cc(F)c(F)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTTWQPVEJMXILW-UHFFFAOYSA-N", "SMILES:CN(C(=O)Nc1ccc(F)c(Cl)c1)C1CCCc2[nH]c(=O)c3cc(F)c(F)cc3c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPFWBFIKFDOXEN-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN(C(=O)C3(N)CCCC3)CC2)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVGNJPLUYZRSGJ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)C4CCCCC4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZUAKSXFYJHNNQ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ccccc4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQQPFLZTNYNAKJ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ccccn4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTIXHDUYBVMCNE-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ccco4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWWDNPOMMFOHIX-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cccs4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOPSGOHRBQTBJA-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4nccs4)c3Cl)cn2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXSOOOACJGEHPU-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cccc5ccccc45)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACPNDBOGGAPKGJ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccn4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSWBGFLCQZRSFF-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cnccn4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVZAYTRLUIAGJL-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)Cc4ccccc4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBHLCAPNZWDHS-ZHACJKMWSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)/C=C/c4ccccc4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJBLXJMOPIPOOG-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3ccc(NC(=O)c4ccccc4)cc3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSMROAFFTWJAGR-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKPHMOPZLKGQS-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccc4O)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCHBLCSANWBYRX-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccc4F)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHCVHXTURDEMQR-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccc4Cl)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSKWSRGCZMBZHP-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccc4Br)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCTFTEZCJGVUEQ-UHFFFAOYSA-N", "SMILES:Cc1cccnc1C(=O)Nc1cccc(Sc2cnc(N3CCC(C)(N)CC3)cn2)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQKMLJCVCVABOO-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ncccc4C(F)(F)F)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSYXZUKJRXBWAX-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cnccc4O)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFZJMZBPCIUFZ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cccnc4O)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFEFNLGBHOQRHW-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cnccc4Cl)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMGIIIVXLWICKZ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ccncc4Cl)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRNCOKQHJSRMLY-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cccnc4Cl)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDARZCHQNZGMBV-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cc(Cl)ccn4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILSZNLURKZITDT-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4ccc(Cl)cn4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEJXWSMMCROSMQ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)c4cccc(Cl)n4)c3Cl)cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDTLNFYPQPAIAV-NPMXOYFQSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5ncccc5O)c4Cl)cn3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTTXXCSIWNHAAE-HHHXNRCGSA-N", "SMILES:N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(NC(=O)c4ncccc4O)c3Cl)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYXVVOKYIBRDIE-NPMXOYFQSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5ncccc5Cl)c4Cl)cn3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHIICWNXXLLDBD-HHHXNRCGSA-N", "SMILES:N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(NC(=O)c4ncccc4Cl)c3Cl)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZGBHRIEGYAFPY-NPMXOYFQSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5cnccc5O)c4Cl)cn3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJZLQBJCDJYZED-HHHXNRCGSA-N", "SMILES:N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(NC(=O)c4cnccc4O)c3Cl)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMURGFHQUDHZAU-OYHNWAKOSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5cccnc5O)c4Cl)cn3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AGSKHVWFQHQHII-AREMUKBSSA-N", "SMILES:N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(NC(=O)c4cccnc4O)c3Cl)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZIRRLGCASRCGA-UHFFFAOYSA-N", "SMILES:NCC(=O)N1CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRRHHKDYFJGBII-SECBINFHSA-N", "SMILES:C[C@@H](N)C(=O)N1CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMMGSFGHXRDOIC-NSHDSACASA-N", "SMILES:Nc1nc(N2CCN(C(=O)[C@@H]3CCCN3)CC2)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMMGSFGHXRDOIC-LLVKDONJSA-N", "SMILES:Nc1nc(N2CCN(C(=O)[C@H]3CCCN3)CC2)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIFVJPSBESMAJI-UHFFFAOYSA-N", "SMILES:Nc1nc(N2CCN(C(=O)C3(N)CCC3)CC2)cnc1Sc1ccnc(N)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRPVWHQSPBKKOH-SDNWHVSQSA-N", "SMILES:O=C(Cc1ccccc1F)Nc1cccc(Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLOJBSFFOSCKTK-BXCJWUFQSA-N", "SMILES:[2H]C([2H])([2H])O[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKONKNHSBJDUPS-NYUJMHJJSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@H]3CCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKONKNHSBJDUPS-ZVOVDXHFSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3CCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQZMQYPKCGQJCI-KGYPQYPISA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@]3(C)CCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLOJBSFFOSCKTK-BYHUZDBLSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLOJBSFFOSCKTK-SNMOHMLRSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3C[C@@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RADOGFUUKDVBLG-KHOMTPLRSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3CC(F)(F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRZCYVBEUGFNBN-JNLMMFOCSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)nnn4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCCWHSVWDIPXDC-LRHYNZNCSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cc(C)nn4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQRQHLYRRTYDHU-BYHUZDBLSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)n[nH]c4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIYGPWJRNIQBGP-PTPZFQRBSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)nn(C)c4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTUWXSUSUUUUPP-BYHUZDBLSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(Cl)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIQGEZGNNMRRN-HBNGBVNPSA-N", "SMILES:COc1ccc(N2C(=O)[C@@H](F)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIOAZZFAKLKJFV-HBNGBVNPSA-N", "SMILES:COc1ccc(N2C(=O)[C@@H](F)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULSNRMQJSCKPSI-BYHUZDBLSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(C(F)(F)F)c(Cl)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIMDREDKQKKGAQ-ACYIZFCASA-N", "SMILES:COc1ncc(N2C(=O)[C@@H](F)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDYFUWQEZLNYFW-ACYIZFCASA-N", "SMILES:COc1ncc(N2C(=O)[C@@H](F)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUIDRCWVIPNWAT-JNLMMFOCSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3cc(F)c(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLAULVXWCOEAAY-ACYIZFCASA-N", "SMILES:COc1cc(N2C(=O)[C@@H](F)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVNKKBOWPTVNS-YQNORIIPSA-N", "SMILES:CO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc4c(c3)CCO4)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTWLWMYSVOTFLY-URXFXBBRSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1C[C@H](F)C(=O)N1c1ccc(F)c(F)c1)n2C1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGBDMJNNSAAYQT-DHLKQENFSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1C[C@H](F)C(=O)N1c1ccc(F)c(F)c1)n2CC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TTYAMVIDEYZRJI-PTPZFQRBSA-N", "SMILES:CC(=O)O[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHSPKSUJZGNCRJ-JNLMMFOCSA-N", "SMILES:Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1C[C@H](F)C(=O)N1c1ccc(F)c(F)c1)n2[C@H]1CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLEMLLJTYHFBLY-PTPZFQRBSA-N", "SMILES:CCO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWIAPRXYRRHEAS-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRHGSHLGOPIFKE-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2CCN(C)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXFKUTHAEICWQN-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2CCC(N)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDPLQCVERBPKHL-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2CCC(CNS(N)(=O)=O)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIAYACGATFTEMH-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2CCC(NS(N)(=O)=O)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIUMHFWLIDXSMT-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2ccc(F)cc2N2CCC(NS(N)(=O)=O)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSSKCZFEYWSZQW-UHFFFAOYSA-N", "SMILES:Cn1ccc(-c2nc(C(=O)Nc3cc(F)ccc3N3CCC(NS(N)(=O)=O)CC3)cn3ccnc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCZGYRXYIFJXGR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NC1CCN(c2ccc(F)cc2NC(=O)c2cn3ccnc3cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHQVPPUUWCAIGZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nc(C(=O)Nc2cc(F)ccc2N2CCC(NS(N)(=O)=O)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWPZMGVOFCOLGC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NC1CCN(c2ccc(F)cc2NC(=O)c2cn3ccnc3c(-c3c(F)cccc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITZLVRSOYVLIPY-UHFFFAOYSA-N", "SMILES:COc1nc(C(=O)Nc2cc(F)ccc2N2CCC(NS(N)(=O)=O)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APUMHAXMSJKFNH-UHFFFAOYSA-N", "SMILES:CCOc1nc(C(=O)Nc2cc(F)ccc2N2CCC(NS(N)(=O)=O)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPFNYHOAZVSWMJ-UHFFFAOYSA-N", "SMILES:COCCOc1nc(C(=O)Nc2cc(F)ccc2N2CCC(NS(N)(=O)=O)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZSZSPNCSJVLNY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)NC1CCN(c2ccc(F)cc2NC(=O)c2cn3ccnc3c(Oc3ccccc3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGXLEIKSUBXKAB-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2CCC(NS(N)(=O)=O)CC2)cnc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQCCRVZHJHFDIU-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2CCC(NS(N)(=O)=O)CC2)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBBLFERPUKHFGK-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc(C(=O)Nc2cc(F)ccc2N2CCC(NS(N)(=O)=O)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDTHFWKWZBWTAF-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1cc(C(=O)Nc2cc(F)ccc2N2CCC(NS(N)(=O)=O)CC2)cn2cnnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUYPHRUQUWNFQH-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2CCC(NS(N)(=O)=O)CC2)cn2cc(C)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJZJZMDQFSUTQV-KUZYQSSXSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2[C@@H]3CC[C@H]2CC(NS(N)(=O)=O)C3)cn2ccnc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJNPACNWSPJNHT-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2CCC(C)(NS(N)(=O)=O)CC2)cn2ccnc12.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZVKPFJWSIRLEL-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2CCC(N(C)S(N)(=O)=O)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLOSUQAYLIRBGX-UHFFFAOYSA-N", "SMILES:COc1cccc(F)c1-c1nc(C(=O)Nc2cc(F)ccc2N2CCC(NS(=O)(=O)C3CC3)CC2)cn2ccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRYVOOBYWPHALK-ZDSQKVDBSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCMXSLXHBDYSLW-IXPVHAAZSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAQMINGHOYLTEA-IXPVHAAZSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUIOYNDAWALZHN-IXPVHAAZSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDLGIYBTHMQDFO-NVMQTXNBSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1[Se]C[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBXBIGXWLCDYPB-VISXPRAWSA-N", "SMILES:CNc1ncnc2c1ncn2[C@@H]1[Se]C[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWBQDWCUVLDZNM-AZTOOPQRSA-N", "SMILES:CCNc1ncnc2c1ncn2[C@@H]1[Se]C[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGYSHLCCQDLXFR-JWKOBGCHSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NC3CC3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDBHGAJUMSEYIO-GLXFQSAKSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NC3CCCC3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWOWKLPJSRILQT-AXAPSJFSSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NCc3cccc(F)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJFZQJVIDZVBG-AXAPSJFSSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NCc3cccc(Cl)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCKQFHLTZPTEL-AXAPSJFSSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NCc3cccc(Br)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRZVTTVFQPIPQO-AXAPSJFSSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKOUFSCQZBWBH-TWOGKDBTSA-N", "SMILES:Nc1nc(Cl)nc2c1ncn2[C@@H]1[Se]C[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQJQDZOCHXVCJS-NVMQTXNBSA-N", "SMILES:CNc1nc(Cl)nc2c1ncn2[C@@H]1[Se]C[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5618495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDPRUZUIUXWGHW-VISXPRAWSA-N", "SMILES:CCNc1nc(Cl)nc2c1ncn2[C@@H]1[Se]C[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFGRZLOEPIUIDF-AZTOOPQRSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NC3CC3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPJLHHOJTGKRBL-IXPVHAAZSA-N", "SMILES:O[C@@H]1[C@H](O)C[Se][C@H]1n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5620126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGYDYBDMZBVPTP-QFFPRFPISA-N", "SMILES:CNC(=O)C1O[C@@H](n2cnc3c(Nc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5619368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFMBSRIHNGFJSU-QFFPRFPISA-N", "SMILES:CNC(=O)C1S[C@@H](n2cnc3c(Nc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUUYAAODDWRPA-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2cnc(Nc3cnc(C4CC4)nc3)cc2C)c2c1C(=O)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDFBJGKBHVXXHH-UHFFFAOYSA-N", "SMILES:CNc1ccc(-c2cnc(Nc3ccc(C4CC4)nc3)cc2C)c2c1C(=O)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4532017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQXOPCNSCXMGKK-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c(C(=O)Nc3cccc4c3c(Br)nn4Cc3ccccc3)csc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4483816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZVIZFHCMVWFNT-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2nc(C)c3c(NC(=O)c4csc5c(N)ncnc45)cccc32)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCDAHFZFGKOCPG-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC(F)(F)CC5)C4=O)nc3)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDFNWQUVEYWFOH-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC5)C4=O)nc3)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4276742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHZKEAYTNKCUEF-BGYRXZFFSA-N", "SMILES:CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYPSIUQJBKQAR-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CC5)nc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLVGNZMKBDQSGI-UHFFFAOYSA-N", "SMILES:COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)nc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJPRIOJLIKLSHO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCNC(C)(C)C5)cc4)n[nH]c3n2)c1Cl.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIFUQZRCDVCZNK-UHFFFAOYSA-N", "SMILES:CCn1cc(OCC(F)(F)F)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQJYKXVYCZYMRQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1.O=C(O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTIXCLSQMRNBMA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(Cc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL184223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZXIHTJGNYBSTH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c1C(=O)NC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPYWRQIMSVARCX-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFYABQJYUMOOIP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)c(Br)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMBMYNDPNVGEFI-UHFFFAOYSA-N", "SMILES:CC(C)n1c2cc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)ncc2c2c(OCC(F)(F)F)cc(N3CCN(C)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMXUEXOFKJGGCC-UHFFFAOYSA-N", "SMILES:Cc1cc(N2Cc3ccccc3C2)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCAUCUKBWLZLDT-UHFFFAOYSA-N", "SMILES:c1ccc(-c2cc(N3Cc4ccccc4C3)nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYQAFIUIJMUPDS-UHFFFAOYSA-N", "SMILES:Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5284115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTUTUUAYVNLJQA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(CCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1911416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWFHVQNNTSBGCH-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2c(F)cccc2F)c2cccnc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4756052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEEDBHIHBIWFMR-UHFFFAOYSA-N", "SMILES:CCOc1ccc(-c2c(C(C)(C)O)oc(=O)c3ccccc23)cc1OC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPFGVIYVXGCXRU-ATJXCDBQSA-N", "SMILES:CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\\C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL503012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZADIAHVKNQKD-UHFFFAOYSA-N", "SMILES:CCOc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTRSYKTUTDYBBR-VQTJNVASSA-N", "SMILES:COc1ccc(C2=NN(C3CCN(C(=O)N4CCOCC4)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKARNEAHPRLFGQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3c(-c4ccc(C)c(C)c4)cc4c3CCC(N3CCN(C)CC3)C4)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZXQJGPDTRZCNX-JKSUJKDBSA-N", "SMILES:COc1ccc(C2=NN(C3CCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4297384", "category": ["biolink:ChemicalEntity"], "name": "GSK-356278", "xref": ["InChIKey:AWDJJMXJUOHGLC-UHFFFAOYSA-N", "SMILES:CCn1ncc2c(NC3CCOCC3)c(-c3nnc(Cc4sc(C)nc4C)o3)cnc21"], "synonym": ["Gsk-356278", "Gsk356278", "GSK356278", "GSK356278B"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3545918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCUPUKBQZROPFR-MSUUIHNZSA-N", "SMILES:OCC/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL183965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMCCOEJBVQAXPU-UHFFFAOYSA-N", "SMILES:O=C1Nc2c(Cl)ccc(OCCO)c2C2(CCCCC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL185446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILHCAAUBKXDWAM-VLGSPTGOSA-N", "SMILES:Cn1nc(-c2ccc(C(N)=O)cc2)s/c1=N\\C1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNOASMPSYWQOJ-YHCMSDNUSA-N", "SMILES:Cn1nc(-c2ccc(C(N)=O)cc2)s/c1=N\\[C@@H]1CCC[C@@H](O)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL182574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTVAXMAAIDVFHH-MNDPQUGUSA-N", "SMILES:Cn1nc(-c2ccc(Cl)cc2)s/c1=N\\c1ccc(F)c(C(=O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAEAUISVAAJULT-UHFFFAOYSA-N", "SMILES:O=C1Nc2c(Cl)ccc(Oc3ccccc3-c3nnn[nH]3)c2C2(CCCCC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEDWYQAUJRRZGQ-UHFFFAOYSA-N", "SMILES:O=C1Nc2c(Cl)cc3nc(CN4CCNCC4)oc3c2C2(CCCCC2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKKPJMZPWWJIA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CCN(C)C(=O)c1nc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNJBLGJDSYQOC-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cc(N2C(=S)Nc3ccccc3C23CCc2ccccc2N3)cc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NALUPJGPLKTJRA-UHFFFAOYSA-N", "SMILES:CCCCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC(=O)Nc1cc(C(C)(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1699472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJYMXOYAAWDJMB-UHFFFAOYSA-N", "SMILES:N=c1nc(-c2ccccc2)n(-c2ccccc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNSFCSODMWSTIU-XDOYNYLZSA-N", "SMILES:c1ccc(-c2n/c(=N/Cc3cccnc3)sn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIOASZZDLXVHPL-RAMDWTOOSA-N", "SMILES:[2H]C1OC(=O)c2cc(N3N=C(C)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRDUMEUBCFRQSX-UHFFFAOYSA-N", "SMILES:O=C1OCc2ccc(N3N=C(c4ccccc4O)CC3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBFFZWMYUOPKSL-UHFFFAOYSA-N", "SMILES:O=C1OCc2ccc(N3N=C(c4cc(F)ccc4O)CC3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQIMPMVLJYESP-UHFFFAOYSA-N", "SMILES:O=C1OCc2ccc(N3N=C(c4cccc(F)c4O)CC3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCIWRXHRLYANIH-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cc(C)ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDBJDVITZBGYPJ-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cc(OC)ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URWZXIJRNZDZQM-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKCNGGENMDTBY-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cc(Br)ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OELCQOLZNRINFO-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cc(F)ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVBHXMGWQVKWND-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cc([N+](=O)[O-])ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYZSMKOZECCYBY-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4ccc(Cl)cc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSLPSCQVVKLJED-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4ccc(Br)cc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSRLRRKYIUHPHS-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cccc(Br)c4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBOQVBAMLIESRQ-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)cc(Br)c4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPNQNDPJNRIPJK-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)cc(Cl)c4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZSFMJIPYITCEK-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4ccc(N(C)C)cc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXYNGANHWFXHGD-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cc(N(C)C)ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYBYNKLVXSIMHC-UHFFFAOYSA-N", "SMILES:CCCCCCC1OC(=O)c2cc(N3N=C(c4ccccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVKADYBQEHGNRV-UHFFFAOYSA-N", "SMILES:CCCCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLQZVTAOWIKZRX-UHFFFAOYSA-N", "SMILES:CCCCCCC1OC(=O)c2cc(N3N=C(c4cc(F)ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZMCXPWDUYPTHX-UHFFFAOYSA-N", "SMILES:CCCCCCCC1OC(=O)c2cc(N3N=C(c4ccccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZBVWMAJEFCRDE-UHFFFAOYSA-N", "SMILES:CCCCCCCC1OC(=O)c2cc(N3N=C(c4cc(OC)ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDMXTYVCJKLTGE-UHFFFAOYSA-N", "SMILES:CCCCCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)ccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBAHRRWMGFRGR-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4ccccc4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDINZDYQDSLIQR-UHFFFAOYSA-N", "SMILES:CCCCC1OC(=O)c2cc(N3N=C(c4cccc(F)c4O)CC3=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZHWETVMXQTIER-UHFFFAOYSA-N", "SMILES:Brc1ccc(-n2nc(-c3cccnc3)cc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCURSDMHYLVULM-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3ncc(F)c(-c4cnc5cnn(C(C)C)c5c4)n3)cc2OC)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILWQCECKGTWCDJ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)CN(CCN3C(=O)c4ccccc4C3=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEWFPNPJXPKYIE-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)CN(CCCN3C(=O)c4ccccc4C3=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEGFRABQDLJTGL-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)CN(CCCCN3C(=O)c4ccccc4C3=O)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYCAVYBTJKEEB-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBEMUEFKQHRCFG-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTSOPRAOGFGAMZ-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCN1C(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMWMALYMYHRYPZ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)CN(CCN3CCCc4ccccc43)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIMPYGQNLHSBED-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)CN(CCCN3CCCc4ccccc43)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPBPKNYLBGTADP-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCN1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQRRXPTDRUGLX-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCN1CCCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXASXXFJEUYGGM-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)CN(CCN3CCc4ccccc43)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKFZFGBRDUPQHB-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2C(=O)CN(CCCN3CCc4ccccc43)C2=S)cc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRVLLBPKJRENCV-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCN1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKCOFVKSYOFQI-UHFFFAOYSA-N", "SMILES:CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCN1CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVUZWKKSPKPLEO-UHFFFAOYSA-N", "SMILES:COc1cc(-n2cccc2CN2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUVLOILCECJFFE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ncc(S(=O)(=O)c5cccc(F)c5)cc34)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVBXFTQPIYUPRH-UHFFFAOYSA-N", "SMILES:O=C(Nc1n[nH]c2ncc(S(=O)(=O)c3cccc(F)c3)cc12)c1ccc(N2CCOCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LENIXUPJMDEFSM-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(C(=O)Nc2n[nH]c3ncc(S(=O)(=O)c4cccc(F)c4)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQRRHOGDBIREMX-ZYHUDNBSSA-N", "SMILES:C[C@H]1Nc2ccn3ncc(c3n2)C(=O)NC[C@@H](CF)Oc2ccc(F)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZNWRBSYSUFFOG-NCKZXCJXSA-N", "SMILES:C[C@H]1Nc2ccn3ncc(c3n2)C(=O)N[C@@]2(C)CC3=CC(F)=CC1C3O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYHRGQAQGDRQRW-LLVKDONJSA-N", "SMILES:COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NOC(C)(C)N3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCRALSIMUWCBLG-JHJMLUEUSA-N", "SMILES:CCOc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NOC(C)N3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUFCPFFFHLSGZ-PZORYLMUSA-N", "SMILES:CC(C)Oc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NOC(C)N3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIHFQIGUNWHWQM-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)Nc2cccc(Sc3ccc4c(NC(C)=O)n[nH]c4c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKBWEXJYRWLMSU-OPAMFIHVSA-N", "SMILES:C[C@@H](OCC#Cc1ccc(C#N)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLHVBUHBKSAMTB-SPLOXXLWSA-N", "SMILES:C[C@@H](OCC#Cc1ccc(F)cc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWKPIWHNBUBION-FOIQADDNSA-N", "SMILES:C[C@@H](OCC#Cc1ccncc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIPPXHQMHBKWJA-UHFFFAOYSA-M", "SMILES:COC(=O)c1cc[n+]2[se]c(C3(O)CCCCC3)c(Br)c2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCPATGCDBXEVGM-UHFFFAOYSA-N", "SMILES:OC1(c2[se][n+]3ccccc3c2Br)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNHGMNJEJIAYNZ-UHFFFAOYSA-M", "SMILES:COC(=O)c1ccc2c(Br)c(C3(O)CCCCC3)[se][n+]2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIPPXHQMHBKWJA-NIIDSAIPSA-M", "SMILES:[2H]C([2H])([2H])OC(=O)c1cc[n+]2[se]c(C3(O)CCCCC3)c(Br)c2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJAVAAKKLPURPH-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc[n+]2[se]c(C3([O-])CCC3)c(Br)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXUVDSNTYUIGGT-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc[n+]2[se]c(C3([O-])CCCC3)c(Br)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNFILMPHYAZHPG-UHFFFAOYSA-M", "SMILES:COC(=O)c1cc[n+]2[se]c(C3(O)CCC(F)(F)CC3)c(Br)c2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUOUZAIYDMTCJP-UHFFFAOYSA-M", "SMILES:COC(=O)c1cc2c(Br)c(C3(O)CCCCC3)[se][n+]2cc1F.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKTUCWYURUWNRE-UHFFFAOYSA-M", "SMILES:COC(=O)c1cc(C)[n+]2[se]c(C3(O)CCCCC3)c(Br)c2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLRNKVJFIXHRGS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc[n+]2[se]c(C3(O)CCCCC3)c(Br)c2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XORBKBNTVBCDLK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+]2[se]c(C3(O)CCCCC3)c(Br)c2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHRMOUYOLMQCDG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+]2[se]c(C3(O)CCC(F)(F)CC3)c(Br)c2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCCWTNCMJQOYDD-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc[n+]2[se]c(C3(O)C4CC5CC(C4)CC3C5)c(Br)c2c1.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHMWQOLCLORRHQ-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(C)(O)c1[se][n+]2ccc(C(N)=O)cc2c1Br.[Cl-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQDAUQZEUZNBJF-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCCCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJDJQTVSYXXWMT-UHFFFAOYSA-N", "SMILES:C#CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624529", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTMPPRFQBBGAOO-ZFGGDYGUSA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCN=[N+]=[N-])C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHNBKTUTIDRGBV-NQMVMOMDSA-N", "SMILES:O=C1N[C@@H]2C[C@@H](S(=O)(=O)F)[C@@H]2c2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPTBVGXQVPBFRX-QPPQHZFASA-N", "SMILES:CN1C(=O)C(F)=C[C@@H]2[C@H]1C[C@H]2S(=O)(=O)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFDOIVHBEXKILY-KCPJHIHWSA-N", "SMILES:CN1C(=O)C(F)=C[C@@H]2[C@H]1C[C@H]2S(=O)(=O)NCCc1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWCYFFYCWOAFL-BPLDGKMQSA-N", "SMILES:CN1C(=O)C(F)=C[C@@H]2[C@H]1C[C@H]2S(=O)(=O)NCCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJYXPFFXILGDHQ-FBIMIBRVSA-N", "SMILES:CN1C(=O)C(F)=C[C@@H]2[C@H]1C[C@H]2S(=O)(=O)N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XOPIZDIFSDXNEE-SZEHBUNVSA-N", "SMILES:CCCNS(=O)(=O)[C@@H]1C[C@@H]2[C@H]1C=C(F)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AELCEMLYRSGTAD-NSISKUIASA-N", "SMILES:CN1C(=O)C(F)=C[C@@H]2[C@H]1C[C@H]2S(=O)(=O)CC1CCN(Cc2ccccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLQSXYGZYXZPAC-BHIYHBOVSA-N", "SMILES:CN1C(=O)C(F)=C[C@@H]2[C@H]1C[C@H]2S(=O)(=O)N1CCC(Cc2ccc(F)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIIMCKBHHXOMQD-HMXCVIKNSA-N", "SMILES:CN1C(=O)C(F)=C[C@@H]2[C@H]1C[C@H]2S(=O)(=O)NCCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHLCPCHBCLBFMM-CQOQZXRMSA-N", "SMILES:O=C1N[C@@H]2C[C@@H](S(=O)(=O)NCCC3CCN(Cc4ccccc4)CC3)[C@@H]2c2c(Br)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYWGJNAMZPUPH-CQOQZXRMSA-N", "SMILES:O=C1N[C@@H]2C[C@@H](S(=O)(=O)NCCC3CCN(Cc4ccccc4)CC3)[C@@H]2c2c(Cl)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWCNLRVUQUKQEU-GMTAPVOTSA-N", "SMILES:Cc1ccc2c(c1)[C@H]1[C@H](S(=O)(=O)F)C[C@H]1NC2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGKNGDPBRUCUOZ-NQMVMOMDSA-N", "SMILES:O=C1N[C@@H]2C[C@@H](S(=O)(=O)F)[C@@H]2c2c(Br)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTBKPSGHUAXJJJ-GMTAPVOTSA-N", "SMILES:CN1C(=O)c2ccccc2[C@@H]2[C@H]1C[C@H]2S(=O)(=O)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMFJTYFGVAFRI-UEYSZJFGSA-N", "SMILES:CN1C(=O)C(F)=C[C@@H]2[C@H]1C[C@@]2(Br)S(=O)(=O)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624445", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKGEVGQDDMAMQ-ZXFLCMHBSA-N", "SMILES:CC1=C[C@@H]2[C@@H](C[C@@]2(Br)S(=O)(=O)F)N(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJRAUTTUFDLEDK-UHFFFAOYSA-N", "SMILES:O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1nc(CCl)n(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTVDLWUNJWNOGA-UHFFFAOYSA-N", "SMILES:O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1nc(CCl)n(-c2cccc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJADJOFIXMFPRE-UHFFFAOYSA-N", "SMILES:O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1nc(CCl)n(-c2ccc(F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRMFBTQUPQALSY-UHFFFAOYSA-N", "SMILES:O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1nc(CCl)n(-c2cccc(C(F)(F)F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHSBUNIACINLPW-UHFFFAOYSA-N", "SMILES:O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1nc(CCl)n(-c2ccc(C(F)(F)F)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDHUXIUATGJTFY-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(=O)OCc3c(-c4ccccc4)no[n+]3[O-])nc2CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDELKTXTBWZYOR-UHFFFAOYSA-N", "SMILES:COc1ccc(-n2nc(C(=O)OCc3c(-c4ccccc4)no[n+]3[O-])nc2CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZZJNZUGDOJCHX-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-n2nc(C(=O)OCc3c(-c4ccccc4)no[n+]3[O-])nc2CCl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDCHDHYSTSFAJZ-UHFFFAOYSA-N", "SMILES:O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1nc(CCl)n(-c2ccccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUPGJGAKZVCLNU-UHFFFAOYSA-N", "SMILES:O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1nc(CCl)n(-c2ccccc2C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGXMVYBZAYYJGX-UHFFFAOYSA-N", "SMILES:Cc1cccc(-n2nc(C(=O)OCc3c(-c4ccccc4)no[n+]3[O-])nc2CCl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAYQCAXJNWNFQJ-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)N4CCc5cc(OC)c(OC)cc5C4)o3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHGSZTNAKJVXBU-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOCC1)c1cc(Oc2ccc(NC(=O)c3cn(-c4ccc(F)c(Cl)c4)c4ncccc4c3=O)cc2F)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHPOANGKQZTANW-JTRCCZFSSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)Nc3nccs3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFPUYXXISBVDSD-XBUKFBSUSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)N[C@@H]3CCN(C)C3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFPUYXXISBVDSD-KQJYEDNDSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)N[C@H]3CCN(C)C3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGOAPJOSVKTKMF-KNGBOHGISA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NC3CCNCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRLTVYJDJFEBK-ZILBVRBKSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)N[C@@H]3CCCN(C)C3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNRLTVYJDJFEBK-FMISNLGASA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)N[C@H]3CCCN(C)C3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLZRKRXYVLLACQ-CVLOSOFLSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NC3CCCN(C)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVHZWMJKDRNNN-YSGFLHPESA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)N[C@@H]3CN4CCC3CC4)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPFDBDHZUZORA-SBIVBMLESA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCc3cncs3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LODUNXOIVYNSQF-SBIVBMLESA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCc3cc[nH]n3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEZBPRKUDDZAEV-FMISNLGASA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NC[C@@H]3CCN(C)C3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEZBPRKUDDZAEV-ZILBVRBKSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NC[C@H]3CCN(C)C3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBZSWKOFKXGTD-FMISNLGASA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NC[C@@H]3CCCN3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVBZSWKOFKXGTD-ZILBVRBKSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NC[C@H]3CCCN3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOEAZEBCIGSLSH-KYIMJNNYSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN3CCCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAMIMJGHRWTRSV-DEACWDEQSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN3CCC(O)C3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZNLRDILOIWPAA-LYOFKBFXSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCNc3ccncc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDBKJGGZEQGRLM-KYIMJNNYSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN(CC)CC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTOJUDQDAQVQGL-KNGBOHGISA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZPLAOUSRSXXBRU-LYOFKBFXSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN(C)CCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAJGWGDOKODBKJ-DWKDZXJCSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCC(C)(C)CN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVBLBRMSQHIFGO-KYIMJNNYSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN(CC)CCO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQUZUCAZWCDKQD-KYIMJNNYSA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCOCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBJXERUVWABINZ-VIHYTYOFSA-N", "SMILES:CN(C)CCCNC(=O)[C@]12CC[C@@H](C3(C)CC3)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDZJDZOXWHTWJF-SBIVBMLESA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKRNPXJDAMHBKE-OMEMSDHZSA-N", "SMILES:C=C1C[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(=C)C)CC[C@]5(C(=O)NCCCN(C)C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HREKDMQWTQCHRX-KNGBOHGISA-N", "SMILES:C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](N)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYIVRSKAIVQYLU-OLNQLETPSA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIJWHLNRWDBIOB-OFGMPYHFSA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc3ncsc3c2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZUSWPMNNAKNNH-VMDDCZLMSA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(C[C@@H](C)CC)S(=O)(=O)c2ccc(N)cc2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUQIOEYMNGDQDG-NRCXORKASA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(C[C@@H](C)CC)S(=O)(=O)c2ccc(OC)cc2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDFOHGSCDGSGKK-NRCXORKASA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(C[C@@H](C)CC)S(=O)(=O)c2ccc(CO)cc2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIEGADIPTCNJOI-ALEGCUKPSA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(C[C@@H](C)CC)S(=O)(=O)c2ccc3c(c2)OCO3)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKQJSHMJDBCIKD-GJOHHWMHSA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(C[C@@H](C)CC)S(=O)(=O)c2ccc3ncsc3c2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEYLPLHLWVCWJA-NKVOBILMSA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(CC)CC)S(=O)(=O)c2ccc(N)cc2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKYSQDWEWYGVFQ-GYLADCCPSA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(CC)CC)S(=O)(=O)c2ccc(OC)cc2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXZQIAAJZJMQCO-GYLADCCPSA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(CC)CC)S(=O)(=O)c2ccc(CO)cc2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVQWBQCLPXUUEF-VTHVVLAZSA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(CC)CC)S(=O)(=O)c2ccc3c(c2)OCO3)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHWWCXJGXLPWJX-RAJOBRQESA-N", "SMILES:CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(CC)CC)S(=O)(=O)c2ccc3ncsc3c2)cc1)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUAEXPIFRASGV-RLWLMLJZSA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(C4CCC4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUAEXPIFRASGV-HFZDXXHNSA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCN(C4CCC4)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILQIEDIHWUAHI-YKSBVNFPSA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCO)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IILQIEDIHWUAHI-GBXCKJPGSA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCN(CCO)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVIJCUAIMAKVQA-BWKNWUBXSA-N", "SMILES:COCCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVIJCUAIMAKVQA-SQJMNOBHSA-N", "SMILES:COCCN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIUBVMXOWXQTD-BWKNWUBXSA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYIUBVMXOWXQTD-SQJMNOBHSA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWPYXXHWQNMCAX-KCWPFWIISA-N", "SMILES:CN1CC(CN2CCN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBFZJNQYPHJCAV-GJZUVCINSA-N", "SMILES:CN(C)CCC(=O)N1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFOJFIZTMVVOCA-YWEHKCAJSA-N", "SMILES:CN1CCC(C(=O)N2CCN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTIGIZPIZLMRJY-CLOONOSVSA-N", "SMILES:O=C(OCc1ccccc1F)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRSIFPGOSXXLA-NLFFAJNJSA-N", "SMILES:O=C(OCc1cccc(F)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTKJIRGLYALTCK-NLFFAJNJSA-N", "SMILES:O=C(OCc1ccc(F)cc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJNBJMSYMHXKEQ-NLFFAJNJSA-N", "SMILES:O=C(OCc1ccc(Cl)cc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWLYNXDRIPHNJD-NLFFAJNJSA-N", "SMILES:O=C(OCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFOULWDEZZZKGY-CLOONOSVSA-N", "SMILES:O=C(OCc1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUPHAKNPGZLFJL-BJQOXMAESA-N", "SMILES:O=C(/C=C/c1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVWSRFJAMQNXCY-GJZUVCINSA-N", "SMILES:O=C(CCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNOUNQTVKKLGSL-OSPHWJPCSA-N", "SMILES:O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILTCSLQMYIWLAW-GJZUVCINSA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCCN(CCCF)CC3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTEOZTZUNPDBQS-DFIMXKNXSA-N", "SMILES:CCCCN1C[C@@H]2CN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)C[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRCFTYKYJHCCKY-QOBJACCBSA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3C4CCC3CN(CCCF)C4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFSWDFDKUCDFDW-QOBJACCBSA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CC4CCC(C3)N4CCCF)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDOSKYRZBGVQKT-WTIXNQEISA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3C4CC3CN(CCCF)C4)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIDFXUXYEVBEFF-KCWPFWIISA-N", "SMILES:O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CC4(CCN(CCCF)CC4)C3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIGSHHDICVKMNF-NLFFAJNJSA-N", "SMILES:CN(C)CCOC1CN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWEBWRLPGIXRKK-RLWLMLJZSA-N", "SMILES:CN(C)CCCOC1CN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBYYANZAGLGHTR-NLFFAJNJSA-N", "SMILES:CN(C)C1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTWNFGCGMLTWHU-AMGIVPHBSA-N", "SMILES:CN(C)CCOC1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTXUPPVTVPOTMG-GJZUVCINSA-N", "SMILES:COCCCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSIKQNYSFIESBM-YWEHKCAJSA-N", "SMILES:CCN(CC)C(=O)CCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STXKDDCTHKRUNQ-BWKNWUBXSA-N", "SMILES:CNCCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXJPQJSFLPWDS-GJZUVCINSA-N", "SMILES:CN(C)CCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEUCUNJYBAAELI-BWKNWUBXSA-N", "SMILES:CNCCC(=O)N1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPOWGSLLJYGDKG-RLWLMLJZSA-N", "SMILES:CN1CC(C(=O)N2CCN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWXUKDPPEJVXPW-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccc(F)nc4)cc2)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHRKQJQSMYHSPN-GFCCVEGCSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGMWMUFWDKWDRP-GFCCVEGCSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccc[nH]4)cc2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZINRPLIZBMQMP-SNVBAGLBSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ncns4)cc2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWERMCYTCCCYAH-LLVKDONJSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(-c4ccc(F)cc4)nn2C)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFKSMHSVCCBNEQ-LLVKDONJSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(-c4ccc(F)cc4)n(C)n2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWHFGBWCVDIRBW-SNVBAGLBSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc4ccsc4c2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWZMXBBCAKOJAF-SECBINFHSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c4sccc24)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZZUKJSLACXQKF-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc4sccc4c2)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCAELHIVLIENY-CYBMUJFWSA-N", "SMILES:C[C@@H]1c2nnc(-c3cccc(C4CC4)n3)n2CCN1C(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMVVRWABCGEOGN-CQSZACIVSA-N", "SMILES:CC(C)c1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWFHCDMQSAQZHG-CYBMUJFWSA-N", "SMILES:C[C@@H]1c2nnc(-c3cccc(C(C)(C)F)n3)n2CCN1C(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYIPTJMSFSNHID-GFCCVEGCSA-N", "SMILES:COc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIOUJSDUCFLIMF-LLVKDONJSA-N", "SMILES:C[C@@H]1c2nnc(-c3nc4c(s3)CCC4)n2CCN1C(=O)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNTDTUQLXLGQHN-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C32CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVFQHEZZLNVILP-GFCCVEGCSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631195", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYCJCKQJNBHTQ-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGYCJCKQJNBHTQ-SNVBAGLBSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPVNAGVDRIEACD-CYBMUJFWSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccco4)cc2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFJCXUYEZJYVKZ-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccc[nH]4)cc2)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEVCFKMRWMKZJR-CYBMUJFWSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccnn4C)cc2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDWXBKUGPXEAO-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(F)c4c2OCO4)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPLVUQNSAMHKIP-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(F)c4occc24)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYTYDZWBDPIXBK-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJTDLSFTICRYHU-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWKAXHYQNUMPBM-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(Cl)cc2)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMONNPWIZXVBKG-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNJLMSVWQMERY-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2cc(F)c(F)cc2F)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTUUMZELODSDJ-UHFFFAOYSA-N", "SMILES:Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(F)c(F)c2)C3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQICENDRWFKYPC-LLVKDONJSA-N", "SMILES:C#Cc1ccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYOXEYAMTXHSRP-MRVPVSSYSA-N", "SMILES:Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)nc2)[C@@H]3C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQSZXJGGYUWDES-DDIMPBCQSA-N", "SMILES:O=C1NCC[C@H]1C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H](NS(=O)(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWJVKMSUJSZDGA-MCMNCZFGSA-N", "SMILES:CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGFCVUYGVJPLEW-WAHAHPIVSA-N", "SMILES:CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMPSMZAHJNVCGS-XFDPCYLGSA-N", "SMILES:CC(C)(F)C(=O)N[C@H](C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVVRECUZEBNORV-NKPWNUPESA-N", "SMILES:[2H]C([2H])([2H])C(=O)N[C@H](C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMCILOCHZOPJFK-WAHAHPIVSA-N", "SMILES:CC(C)(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWEOWFCXPNNQPT-XFDPCYLGSA-N", "SMILES:CN(C)S(=O)(=O)N[C@H](C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1)C(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHRFEXZIAQNJJL-PZIPIOTPSA-N", "SMILES:CC(C)(C)OC[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZBIKLKGEFCHKK-ZJQXAZLASA-N", "SMILES:COc1ccc(C[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)c2nc3ccccc3s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYWJZMTYNGGNKX-UGRPQDFWSA-N", "SMILES:O=C1NCC[C@H]1C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@H](CC1CCCCC1)NS(=O)(=O)C(F)(F)F)C(=O)c1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDKXIUXGDIRYRZ-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(Cc1ccccc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTVVXYCVXPXNTA-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1ccccc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQINIHNTEAACNY-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1ccc(C2NCCc3cc(O)c(O)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHDXPGSKFXGMFE-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1ccc(O)c(Cl)c1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVDWCSUILDIOO-UHFFFAOYSA-N", "SMILES:COc1ccc(C2NCCc3cc(O)c(O)cc32)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYPFILXCKUIXGZ-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1cccc3c1OCCO3)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCFBTWFPSMWYJH-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2NCCc3cc(O)c(O)cc32)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXRUZTLQTVQHEA-UHFFFAOYSA-N", "SMILES:CCc1ccc(C2NCCc3cc(O)c(O)cc32)cc1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKHLHOZJNWOUGW-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1ccc3ccccc3c1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOHRVYPGIPAFPZ-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1ccncc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBPMNKNZANWJC-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=[N+]([O-])c1ccc(C2NCCc3cc(O)c(O)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKMDQCPLJFMBMO-UHFFFAOYSA-N", "SMILES:N#Cc1ccccc1C1NCCc2cc(O)c(O)cc21.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUWMRLSSJVQQQ-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1ccc(C(F)(F)F)cc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEBKERWWGWGRLI-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1cccc(C(F)(F)F)c1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKWKPGNYYFLYPU-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1ccc(F)cc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMMYPPVKUMDNDK-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1ccc(Cl)cc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYFRRZDWNSMLOG-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1ccc(Br)cc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJMSUGABJJYAN-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1cccc(Br)c1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVYLWIRXDAEPDB-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1ccccc1Br)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGMZYUVPQWPFOR-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.Oc1cc2c(cc1O)C(c1ccc(C3NCCc4cc(O)c(O)cc43)cc1)NCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWRLMAIFAGODSO-UHFFFAOYSA-N", "SMILES:O=C1c2ccccc2C2c3cc(O)c(O)cc3CCN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3098862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOUMFZQKYFQNTF-GIZXNFQBSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5630946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBSKJMQYURKNSU-WITZSVMVSA-N", "SMILES:CC1OC(O[C@H]2[C@H](O)[C@@H](OCCc3ccc(O)c(O)c3)OC(CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5630420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRIGBOPSGAPVMG-UHFFFAOYSA-N", "SMILES:CC(=O)Cc1ccccc1C(F)(F)C(=O)NNc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFKZAYGAZSLISU-DSRMTXSPSA-N", "SMILES:O[C@H](CC1c2ccccc2-c2ccccc21)CN1CCN(C[C@H](O)C[C@@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2219662", "category": ["biolink:ChemicalEntity"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2153502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEAGGGHXTMXZQA-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCCCC#CC(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEZLZMDHTWLKDD-IDCGIGBZSA-N", "SMILES:COc1cc2c3c(c1)Oc1c(OC)c(OC)c(OC)c4c1C(Cc1ccc(cc1)Oc1cc(ccc1OC)C[C@H]3N(C)CC2)N(C)CC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5631196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZTJYLXMGNKCCI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C(=O)N1CCNCC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTFNUVVNIOMESB-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1C(=O)N1CCNCC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTPDVHTGBRNBW-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVAFASHSTFGXGS-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2cnccc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCSZZDAPZIOHLT-UHFFFAOYSA-N", "SMILES:NC1CCCN(C(=O)c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXKDUDVMHYZJAA-UHFFFAOYSA-N", "SMILES:NC1CCCN(C(=O)c2cnccc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGAGDCFFLPLYSB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C(=O)NC1CCOCC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSEOYIWTAJSNQM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1C(=O)NC1CCOCC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFDCULUKYFTLRN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C(=O)N1CCC(O)CC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPHQYZYPGQVEU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1C(=O)N1CCC(O)CC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDENCRPPNNLPFN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C(=O)NC1CCC(O)CC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVQTOPISJLWLU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1C(=O)NC1CCC(O)CC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKZRDKOIERIUJA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1C(=O)NCCCO)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUNZQZSOKIVBHI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccncc1C(=O)NCCCO)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTEJBTVRJIRRSV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OC1CCNCC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEYZQUZNVVCNN-JOCQHMNTSA-N", "SMILES:N[C@H]1CC[C@H](Oc2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYEYZQUZNVVCNN-BETUJISGSA-N", "SMILES:N[C@H]1CC[C@@H](Oc2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQUXRVLSWBLTHR-JOCQHMNTSA-N", "SMILES:O=C(Nc1cnccc1O[C@H]1CC[C@H](O)CC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630101", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGIQTJNNEQLXND-UHFFFAOYSA-N", "SMILES:NC(=O)N1CCC(Oc2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVRNZICLBSEICC-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OC1CC2CCC(C1)N2)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSRSZQAQAQQRPL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OC1CCCNC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3354516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHIRQUMDHFNSGY-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCC1CCOCC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFAUVWGUAPCMRU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCC1CCNCC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTBQJCHZAHBGOV-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCC1CNC1)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMUBHUYTMZZLML-UHFFFAOYSA-N", "SMILES:NCCCOc1ccncc1NC(=O)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEGBCPZPNSHFKW-UHFFFAOYSA-N", "SMILES:NCCCCOc1ccncc1NC(=O)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUNPIFXPDBLCSD-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCCCO)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUUCPVVQTHJNIO-UHFFFAOYSA-N", "SMILES:O=C(Nc1cnccc1OCCCCO)c1csc(-c2c(F)cccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUXZULDMSVLPDK-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(CCC(=O)CC(O)Cc2ccccc2)cc(C(C)C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL487732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWMLUCZLWNRNST-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)CC(O)Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRIXRPCMEOZYEY-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccc2c(c1)OCO2)CC(O)CCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOJGDUNEMGGIAC-UHFFFAOYSA-N", "SMILES:O=C(CCc1ccccc1)CC(O)CCCCCCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1082283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCVZUIGCNAAMIC-UXBLZVDNSA-N", "SMILES:CC(C)CN1C(=O)/C(=C/C(=O)O)c2cccc(F)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4516422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZMAWJRXKGLWGS-UHFFFAOYSA-N", "SMILES:COCCCN(C(=O)CCl)c1nc(-c2ccc(OC)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5076509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVSPYEYQFMGJNK-GXTWGEPZSA-N", "SMILES:Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(F)cc5)C4)no3)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAOJOHTYHBWEAR-UHFFFAOYSA-N", "SMILES:CCCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC(=O)Nc1cc(C(C)(C)C)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL249592", "category": ["biolink:ChemicalEntity"], "name": "Z-butylidenephthalide", "xref": ["InChIKey:WMBOCUXXNSOQHM-FLIBITNWSA-N", "SMILES:CCC/C=C1\\OC(=O)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5630743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHBZHVUGQROELI-SOFGYWHQSA-N", "SMILES:O=C(O)/C=C/CCCCCCCO"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL465243", "category": ["biolink:ChemicalEntity"], "name": "LEUCETTAMOL A", "xref": ["InChIKey:CXFKWMQQNSTRAS-WGELTRNKSA-N", "SMILES:C[C@@H](N)[C@@H](O)C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC[C@H](O)[C@@H](C)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL510466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCZUQDXIWXWSSQ-JXNDVWHMSA-N", "SMILES:CC(=O)N[C@H](C)[C@H](C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC[C@H](OC(C)=O)[C@@H](C)NC(C)=O)OC(C)=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5630059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRMFEHHBFSEVCX-HYSMXLRYSA-N", "SMILES:C[C@@H](N)[C@@H](O)C/C=C\\CC(O)/C=C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC[C@H](O)[C@@H](C)N"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5630882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZLZULJBQPWFKW-PJLPSUOQSA-N", "SMILES:CC(=O)N[C@H](C)[C@H](C/C=C\\CC(/C=C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC[C@H](OC(C)=O)[C@@H](C)NC(C)=O)OC(C)=O)OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXEYEHZMYYVGBW-BDXSIMOUSA-N", "SMILES:C[C@@H](N)[C@@H](O)CCCCCCCCCCCC[C@H](O)[C@@H](C)N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFYHRNCXGQVBTB-RGOSMPGBSA-N", "SMILES:CC(=O)N[C@H](C)[C@H](CCCCCCCCCCCC[C@H](OC(C)=O)[C@@H](C)NC(C)=O)OC(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1766307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZFGUVZZYKNBOI-UHFFFAOYSA-N", "SMILES:O=NN1C2c3ccccc3C1C(C(F)(F)F)C2C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGCMKHUWVRQLLP-MHZLTWQESA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCNS(=O)(=O)c1cccc3c(N(C)C)cccc13)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHDGREREKKWHSC-UHFFFAOYSA-N", "SMILES:C=C(c1ccc(OC)c(OC(C)C(=O)NO)c1)c1cc(C)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTNKYIOGJFVNSI-UHFFFAOYSA-N", "SMILES:C=C(c1ccc(OC)c(OC(F)C(=O)NO)c1)c1cc(C)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQVGFDBMONQTBC-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Sc3nnc(C)s3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL105739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUWDLXZGHZSWQZ-XYOKQWHBSA-N", "SMILES:Cc1cc(C)c(/C=C2/C(=O)Nc3ccccc32)[nH]1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL261508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JANPYFTYAGTSIN-FYJGNVAPSA-N", "SMILES:CC(C)c1cc(/C=C(\\C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL404466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBRPTFMVULVGIC-ZTIIIDENSA-N", "SMILES:C=C1C(=O)O[C@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@H]12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5630610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIJYOFKTTSJBSQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)C1Cc2ccccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWTQFDUENULDGU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccco1)C1Cc2c(F)cccc2CN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJFJUINGUMTXSK-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZMWCRYBXVGPRY-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(C(=O)Nc3ccccc3C(=O)O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZOFEHHMIJMCPW-UHFFFAOYSA-N", "SMILES:COc1ccc(Cn2cc(C(=O)Nc3ccccc3C(=O)O)c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTRCITOPUZOWAM-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQDVVXJTFHCWKO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQZNWWHSBKVOGR-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPMNEYXVAUFLED-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2cccc(F)c2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIZBHLMCNJDSQB-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccccc2F)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMUVVKWAPMBDFH-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccccn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLIDUAKAVPFWTP-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2cccnc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNSQXYPLPRHABO-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccncc2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCMFPGJEVROZEC-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2ncccn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJBIDZIGBDFQIU-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2cnccn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIJUPWHHRFXIBI-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2cscn2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAEXJUQXCKXJND-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2cccs2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPIWPQOVZRZZSS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)c(C(=O)Nc1ccccc1C(=O)O)cn2Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWWHWQUCBOGHCB-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C(=O)Nc3ccccc3C(=O)O)cn(Cc3ccccn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COWZVNJSMKFOLX-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccccn2)c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZUBNCFQTIWNFS-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccccn2)c2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCXJHCKMNMGIMQ-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)c(C(=O)Nc1ccccc1C(=O)O)cn2Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTOYANPBDRVQPY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(C(=O)Nc3ccccc3C(=O)O)cn(Cc3ccccn3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSJLLKMVNWGTOR-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)c(C(=O)Nc1cc[nH]c1C(=O)O)cn2Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUGFHWXZQLEUKC-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)c(C(=O)Nc1scnc1C(=O)O)cn2Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKWHNLPZFWBMY-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(c1)c(C(=O)Nc1ncc(C(=O)O)s1)cn2Cc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UALDSQQIVLFGHN-UHFFFAOYSA-N", "SMILES:O=c1nc(N2CCN(NC3CCC(F)(F)CC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCXTZIULTLAHCH-UHFFFAOYSA-N", "SMILES:CN(C1CCCCC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKAAUORDCKIPOA-ZCCXHBONSA-N", "SMILES:C[C@H](Nc1cc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXRSMATXZCVFSZ-LSCFUAHRSA-N", "SMILES:O=P(O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4F)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKCVBRQINFIMA-LSCFUAHRSA-N", "SMILES:CN(Cc1ccccc1F)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630182", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMWRKSYOIUFIDR-MTJNBUFKSA-K", "SMILES:O=P([O-])([O-])CP(=O)([O-])CC(O)[C@H]1O[C@@H](n2ccnn2)[C@H](O)[C@@H]1O.[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIOIPBVOYHKPJ-IDTAVKCVSA-N", "SMILES:CCN(CC)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)OP(=O)(O)C(Br)(Br)P(=O)(O)O)[C@@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUCSUWMDNRNFH-UHFFFAOYSA-K", "SMILES:Nc1ncnc2c1ncn2COCCOP(=O)([O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQZWSBWGSPKMOJ-HEOIWBQBSA-N", "SMILES:Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=N/Oc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3989485", "category": ["biolink:ChemicalEntity"], "name": "PLEUROMULIN", "xref": ["InChIKey:ZRZNJUXESFHSIO-BKUNHTPHSA-N", "SMILES:C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"], "synonym": ["Pleuromulin", "Pleuromuline", "Pleuromulina", "Pleuromutilin", "Antibiotic a 40104c", "Drosophilin b", "Mutilin 14-glycolate", "Pleuromutilin", "BC-757", "NSC-121145", "Pleuromutilin"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL286151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLXBMZAOTHBHSM-IZZDOVSWSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL450678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSXZWAYXQSKEMV-FMIVXFBMSA-N", "SMILES:Cc1ccc(C(=O)/C=C/c2ccccc2)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1375292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYXGMWCLRWOVJB-MDWZMJQESA-N", "SMILES:CN(C)c1ccc(C(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL463017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEKSFLTVXIEEAX-IZZDOVSWSA-N", "SMILES:Nc1ccc(C(=O)/C=C/c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMHDTKUBDZUMNH-IZZDOVSWSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc(Br)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL227561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIINIOLNGCQCSM-IZZDOVSWSA-N", "SMILES:O=C(/C=C/c1ccccc1)c1ccc(Cl)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5631027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHEWZNDOBOYRKX-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc(O)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMHNHYFPGCADPY-NYYWCZLTSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZBGDZAGKGAEL-LFYBBSHMSA-N", "SMILES:CCOc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCUBLOQKCIYVDG-LFYBBSHMSA-N", "SMILES:CCCOc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHINSNUMGYERBR-IZZDOVSWSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNJCZXAZFRUKX-XCVCLJGOSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACEWMYWJBHGPDO-WEVVVXLNSA-N", "SMILES:COc1cc(O)ccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLEYAQHELLWVRH-QPJJXVBHSA-N", "SMILES:COc1cc(O)c(Br)cc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL58557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSFSCIRMLOMJJF-UXBLZVDNSA-N", "SMILES:COc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJDHFFHNECOSLB-YRNVUSSQSA-N", "SMILES:CCOc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSOULLYBGNDMG-YRNVUSSQSA-N", "SMILES:CCCOc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLJQZZXZCJQPKY-XBXARRHUSA-N", "SMILES:O=C(/C=C/c1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIGSHOOAGYQLFG-JXMROGBWSA-N", "SMILES:Cc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAAPQMLXNKNOBY-UXBLZVDNSA-N", "SMILES:COc1cc(OC(C)=O)ccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEKLHJCHYONPMB-YRNVUSSQSA-N", "SMILES:COc1cc(OC(=O)c2cccs2)ccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVUPQWLFHZGWCB-VMPITWQZSA-N", "SMILES:COc1cc(OC)c(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZKKJKLQMUSIDJ-VMPITWQZSA-N", "SMILES:COc1cc(OC)c(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDBKHJYZPIUGNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(c2ccccc2O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXFRAWJZIIDRNA-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C(c1ccc(F)c(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBYITYHKLOIIBW-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C(c1ccc(F)c(F)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUGPHNXWPYLII-UHFFFAOYSA-N", "SMILES:Oc1ccccc1C(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKIKJOIJEMIJMP-UHFFFAOYSA-N", "SMILES:COc1ccc(C(c2cccc(OC)c2O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGTFWWPLHZHFAB-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2ccc(F)c(F)c2)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHOLRXRVDNMZAR-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2ccc(C(F)(F)F)cc2)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXSZLAYZVAYLIT-UHFFFAOYSA-N", "SMILES:COc1cccc(C(c2ccc(Cl)c(Cl)c2)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4216255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBCFMJUKWOMHEO-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccccc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNMYPJPTQZGBGV-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2n[nH]c3ncc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSWOZMQJOSGBIB-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2n[nH]c3ncc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZYDHSQOLGVFOD-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(-c2n[nH]c3ncc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGUJMQIXDMRQGC-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2cccc(-c3n[nH]c4ncc(-c5cnc(Cl)c(NS(=O)(=O)c6ccccc6)c5)cc34)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOYCOTDZNCPAQI-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4cccc(CN5CCOCC5)c4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEQTWRJYERBWFH-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccc(CN5CCOCC5)cc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4212775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNQFWBSHMGXTQX-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccncc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPNCMKXSLBXHJU-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccc(N5CCCC5)nc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCUSPZIFLESFD-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccc(N5CCCCC5)nc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSSUPFLCWAJAS-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccc(N5CCOCC5)nc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVHGXIUOUJYWPJ-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccncc4)c3c2)cnc1Cl)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQOZKVSWTFOYLD-PMSHJDNMSA-N", "SMILES:CN1C[C@@H](c2ccccc2)[C@@]2(CN(P(=O)(CO)CO)C/C(=C\\c3ccccc3)C2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYRUFUQBDUYAJZ-HPIRHVCASA-N", "SMILES:CN1C[C@@H](c2ccc(F)cc2)[C@@]2(CN(P(=O)(CO)CO)C/C(=C\\c3ccccc3)C2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJYWFTHHZPFVGW-PSLIXUCBSA-N", "SMILES:CN1C[C@@H](c2ccc(Br)cc2)[C@@]2(CN(P(=O)(CO)CO)C/C(=C\\c3ccccc3)C2=O)[C@@]12C(=O)Nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZDQXRHJAXIAJL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAKNLVRVVZBQIU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc(Br)c(Br)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWJAMOWQBXGZJT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Br)c(Br)n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRJGQGKDFGWHBZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1c1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDPHCIQPFYYIAU-DLBZAZTESA-N", "SMILES:O=C(Nc1nccs1)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJTIJUVXUAXINU-UKTHLTGXSA-N", "SMILES:Cc1nn(C)cc1/C=C(\\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZTOXBAVGARGNF-DLBZAZTESA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTYTFMBAUMEGN-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEQDDYMXBCWPHT-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZAQVGQZQJDAGN-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUKSAZSIEQMTIY-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)c(Br)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAXHFVUZHMVYRQ-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)c(Br)n2Cc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUFLGPZTYBJDPG-DLBZAZTESA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHXWCJIKMPYPQC-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJGBAZAQXHTDU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFHNDGOLVRHVGX-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCBPCZLSIMXEJR-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccn1Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFUQENWYYMZUIS-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Br)c(Br)n1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULZBOWIQAWWYQH-DLBZAZTESA-N", "SMILES:O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1C[C@H]1c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQXJHFPTZXCOES-RDJZCZTQSA-N", "SMILES:CS(=O)(=O)NC(=O)c1cccc(OC[C@@H]2C[C@H]2c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDLYHVCHZAARQH-RDJZCZTQSA-N", "SMILES:CS(=O)(=O)NC(=O)c1ccc(OC[C@@H]2C[C@H]2c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIAYOKFLYVMAE-HNNXBMFYSA-N", "SMILES:Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1426769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKBPOSPJPVGHGO-UHFFFAOYSA-N", "SMILES:CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1543696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFSDUWFVFGLXGX-UHFFFAOYSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(NC(=O)CC(C)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLKPGOFPPWSGPQ-UHFFFAOYSA-N", "SMILES:CC(CCc1ccc(O)cc1)NC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRGISKKUYCHQGK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1Cc2cc(Cl)ccc2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHSUTWOHQLSJIT-SFHVURJKSA-N", "SMILES:Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4943076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWANQKBTHCMGIZ-UHFFFAOYSA-N", "SMILES:CC1CCCC(C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2137576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOVYINBVTXESEY-SFHVURJKSA-N", "SMILES:CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4567440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXZAIZARJJGIOV-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRORBWTXQYWBO-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)c(-c1ccc(C(=O)O)cc1)nn2C(=O)c1c(Cl)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDHYKXUAVUCZCF-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)c(-c1ccc(C(=O)O)cc1)nn2C(=O)c1c(C)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYHYFTQWVZOLSJ-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)c(-c1ccc(C(=O)O)cc1)nn2C(=O)c1c(Cl)cccc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFXUXHZWOYBVRL-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)c(-c1ccc(C(=O)O)cc1F)nn2C(=O)c1c(Cl)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXIGXJMTLGUYBN-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)c(-c1ccc(C(=O)O)cc1F)nn2C(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRBJFKGJXNJUHE-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)c(-c1ccc(C(=O)O)cc1F)nn2C(=O)c1c(F)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPRAWLAOYHTEPT-UHFFFAOYSA-N", "SMILES:Cc1cc2c(s1)c(-c1ccc(C(=O)O)c(F)c1)nn2C(=O)c1c(F)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDGCPDOQPICUNL-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1cc2c(s1)c(-c1ccc(C(=O)O)cc1F)nn2C(=O)c1c(F)cccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSDDOUMGAHLJG-XGRFJCJYSA-N", "SMILES:C[C@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWHIZROIFKSVGA-OKIKLVOASA-N", "SMILES:O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)SC1=S"]}
{"name": "Triple specificity protein phosphatase PtpB", "xref": ["CHEMBL.TARGET:CHEMBL6066201"], "id": "UniProtKB:I6WXK4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVOJSJXWPDQAPZ-OCBOALCKSA-N", "SMILES:O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTZIFXQORXMEDW-OCBOALCKSA-N", "SMILES:O=C(O)[C@H](C1CCCCC1)N1C(=O)/C(=C/c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWDXPEMUEQRBRK-FUDBJYBQSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXNLALWLFLTXDE-CHHVJCJISA-N", "SMILES:O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWHIZROIFKSVGA-BHMTVCBESA-N", "SMILES:O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RETSAPOAOHWVGF-URBQWANRSA-N", "SMILES:O=C(O)[C@H](C1CCCCC1)N1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624568", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRPYIBQOFAOKIJ-MSTPFNHUSA-N", "SMILES:O=C(O)[C@H](C1CCCCC1)N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDCKFBSEOPYQIL-URBQWANRSA-N", "SMILES:O=C(O)[C@H](C1CCCCC1)N1C(=O)/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEDBVFKAMWJMNJ-MSTPFNHUSA-N", "SMILES:O=C(O)[C@H](C1CCCCC1)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGZFTXNBJGMTQ-IZILLXMLSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNSPNVFWLYYIEJ-UZNZLNSGSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWKVSIDOJRWUNT-IZILLXMLSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVKSHHPLMHDQZ-UZNZLNSGSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CROCYRZPRYBPCZ-KYYPIKSYSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(OC)c3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWANZIPNLUYELJ-QIYXJHPLSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDQAOMEDSOQNY-HNDQUVLASA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)s3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQUNWGREAHFOCP-PBXDPIQXSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccncc3Cl)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEAPXXHOUZJJLC-OWBBTNHHSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCNQVLJFMLWIOX-PZLPMSIKSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)c3ccccc23)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSRJNHGRUFEQG-PZLPMSIKSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)c3ccccc23)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZSNWUZMQJNVCG-MQXJPVLKSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(F)c(C(F)(F)F)c3)c3ccccc23)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLYHTLOTVSXBTK-FUDBJYBQSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)c(Cl)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLMBMQCGLMSCNQ-FUDBJYBQSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)c(Cl)c2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGBIZQUVHBENFM-ZCQLHAAUSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)s2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFXGPOZMBSNHNA-PBXDPIQXSA-N", "SMILES:CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)cn2)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPQIVIYRBJOJHY-UHFFFAOYSA-N", "SMILES:O=C1NC(=S)NC(=O)C1Cc1cc(Br)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWYLSHPSZLUJOA-YGSMXEENSA-N", "SMILES:CCOC(=O)C1=C(C)Oc2nc(C)n(Cc3cn([C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)c(=O)c2C1c1cc(OC)c(OC)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWQQOTKAGUHCBB-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3cccc(c23)C(=O)N1Nc1nc(NCc2ccccc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCTBEGQOLMHQIT-UHFFFAOYSA-N", "SMILES:CN(c1ncnc2c(-c3ccc(S(C)(=O)=O)cc3)csc12)C1CCN(C(=O)OC(C)(C)C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3321827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFGWCHIYEXQLJW-UHFFFAOYSA-N", "SMILES:CCc1cnc(N2CCC(N(C)c3ncnc4c(-c5ccc(S(C)(=O)=O)cc5)csc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISLFYJFXERZMKE-UHFFFAOYSA-N", "SMILES:CCc1cnc(N2CCC(N(CC)c3ncnc4c(-c5ccc(S(C)(=O)=O)cc5)csc34)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYPRWKXBFXDXDO-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(C2CCN(c3ncnc4c(-c5ccc(S(C)(=O)=O)cc5)csc34)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOZGFXBDOOLDBQ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc3c(N4CCC(c5nc(C6CC6)no5)CC4)ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNINTWLVPOAAHU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc3c(N4CCC(c5nc(C6CCCC6)no5)CC4)ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRRMURIQJIPZNL-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc3c(N4CCC(c5nc(C6CCCC6)no5)CC4)ncnc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLFNQDCOMXVSE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc3c(N4CCC(c5nc(C6CCCCC6)no5)CC4)ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXOLEBJUJHWGBH-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3ncnc4c(-c5ccc(S(C)(=O)=O)cc5)csc34)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGCJHRQZCXNRIE-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc3c(OC4CCN(c5nc(C6CC6)no5)CC4)ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQNXYUQKMCRDEM-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2csc3c(OC4CCN(c5nc(C6CCCC6)no5)CC4)ncnc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIJYWJHWIFWIOX-UHFFFAOYSA-N", "SMILES:CC(C)c1noc(N2CCC(Oc3ncnc4c(-c5ccc(S(C)(=O)=O)cc5F)csc34)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSBUWZOOVRBOSH-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1noc(N2CCC(Oc3ncnc4c(-c5ccc(S(C)(=O)=O)cc5F)csc34)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDJVIAIMMYCGJ-UHFFFAOYSA-N", "SMILES:CCCc1noc(N2CCC(Oc3ncnc4c(-c5ccc(S(C)(=O)=O)cc5F)csc34)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXCDSVKRYANRJF-UHFFFAOYSA-N", "SMILES:CCc1cnc(N2CCC(Oc3ncnc4c(-c5ccc(S(C)(=O)=O)cc5)csc34)C2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEIVXDYMRJNZCA-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(Oc2ncnc3c(-c4ccc(S(C)(=O)=O)cc4F)csc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVVPCPBJRAQIAH-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWZWIOSTPXTKRG-VQHVLOKHSA-N", "SMILES:O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUKHTPWGBYDRNY-VAWYXSNFSA-N", "SMILES:COc1ccccc1/C=C/C(=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJBLUNMQEZGATC-DHZHZOJOSA-N", "SMILES:O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQHYZPAMIUYOGO-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(=O)Nc3ccc(O)c(Br)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXEJEQABHBCQBL-UHFFFAOYSA-N", "SMILES:CCOc1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAAWJIBSNWQJRW-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRMFCKUULBBQF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)c(Cl)c1)Nc1nc2ccc(O)cc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNYAMKZSPXGRDL-UHFFFAOYSA-N", "SMILES:Nc1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLQDUSCQJJJHRP-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(=O)Nc3ccc(O)c(C(F)(F)F)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQRJBHNWNAITBW-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPYKRGQTIZHMKJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYKXAPUNMUMPBA-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCHHUPWPCDOVLD-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NCc3ccc(O)c(Cl)c3)sc2c1"]}
{"name": "Amine oxidase [flavin-containing] A", "xref": ["CHEMBL.TARGET:CHEMBL6066291"], "id": "UniProtKB:Q6Q2J0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"name": "Amine oxidase [flavin-containing] B", "xref": ["CHEMBL.TARGET:CHEMBL6067586"], "id": "UniProtKB:Q6PLK3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACKGGHBSOPOXRJ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGHAMYBRIJUAIR-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(Sc3ccc4ccccc4c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFMBTFIRVZIWTM-UHFFFAOYSA-N", "SMILES:CC1(CN)CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHRPDZUCNPWUNK-IINYFYTJSA-N", "SMILES:C[C@@H]1OCC2(CCN(c3nnc(Sc4cccc(Cl)c4Cl)s3)CC2)[C@@H]1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNPJFFOJYFLQJF-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(-c3cccc(Cl)c3Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXHXMWSBOWGBSB-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(-c3ccc4ccccc4c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHWNTVKJLQEJBF-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(-c3cccc4ccccc34)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHNVTCZAGKGVEE-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3nnc(N4CCC(C)(N)CC4)s3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMUSEVFJBIKJPN-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(Sc3ccc(Cl)cc3Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKJIPPZWAOMGMS-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(Sc3ccc(Cl)c(Cl)c3)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIIGHVDOCBAXOO-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(Sc3ccccc3Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJIJKCCRLBASMH-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(Sc3ccccc3F)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRLVCYRYPCJMCJ-UHFFFAOYSA-N", "SMILES:CC1(N)CCN(c2nnc(Sc3cccc4cccnc34)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASQFNVVCNIJRGU-UHFFFAOYSA-N", "SMILES:NCC1CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRIDWUXREUBSAG-UHFFFAOYSA-N", "SMILES:NC1CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKIJUCSZNLHOPB-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)nn1Cc1cccc(N2CCN(C(=O)C3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODXBKEDGMKYXEZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1Cc1cccc(N2CCN(C(=O)C3CC3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPLGLQULXPBDIH-ZROIWOOFSA-N", "SMILES:COc1cc(/C=C2\\SC(=O)N(C(=O)CN3CCOCC3)C2=O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKEOQAIKUKILIZ-UVTDQMKNSA-N", "SMILES:CS(=O)(=O)N1CCN(CC(=O)N2C(=O)S/C(=C\\c3ccc([N+](=O)[O-])cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMYLDSPQYXRIMO-RGEXLXHISA-N", "SMILES:O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)N1C(=O)S/C(=C\\c2ccc([N+](=O)[O-])cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTKPOUCYYFWOJY-GHXNOFRVSA-N", "SMILES:O=C(CN1CCn2c(nnc2C(F)(F)F)C1)N1C(=O)S/C(=C\\c2ccc([N+](=O)[O-])cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXIZJSWIWSJSY-UUASQNMZSA-N", "SMILES:CS(=O)(=O)n1cc2c(n1)CN(CC(=O)N1C(=O)S/C(=C\\c3ccc([N+](=O)[O-])cc3)C1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXOVAAQIXIVLDK-DHDCSXOGSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CC(=O)N1C(=O)S/C(=C\\c2ccc([N+](=O)[O-])cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBAGZIDDVAURDO-ZROIWOOFSA-N", "SMILES:CS(=O)(=O)N1CCN(CC(=O)N2C(=O)S/C(=C\\c3ccc(F)c(F)c3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXEHGWUDKGYZKS-UYRXBGFRSA-N", "SMILES:O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)N1C(=O)S/C(=C\\c2ccc(F)c(F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CERGHQODYGKTHI-SDQBBNPISA-N", "SMILES:O=C(CN1CCn2c(nnc2C(F)(F)F)C1)N1C(=O)S/C(=C\\c2ccc(F)c(F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGOKCEHACALLDP-WCSRMQSCSA-N", "SMILES:CS(=O)(=O)n1cc2c(n1)CN(CC(=O)N1C(=O)S/C(=C\\c3ccc(F)c(F)c3)C1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JODJIBKPVMQGMZ-NVNXTCNLSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CC(=O)N1C(=O)S/C(=C\\c2ccc(F)c(F)c2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCWHINKEOIUUJT-QNGOZBTKSA-N", "SMILES:CS(=O)(=O)N1CCN(CC(=O)N2C(=O)S/C(=C\\c3ccc(OCc4ccccc4)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBDCFVIVCWDRRA-XHPQRKPJSA-N", "SMILES:O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)N1C(=O)S/C(=C\\c2ccc(OCc3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIUKGJQBSLZIDB-UNOMPAQXSA-N", "SMILES:O=C(CN1CCn2c(nnc2C(F)(F)F)C1)N1C(=O)S/C(=C\\c2ccc(OCc3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADDDIJIWQWCYSH-JJFYIABZSA-N", "SMILES:CS(=O)(=O)n1cc2c(n1)CN(CC(=O)N1C(=O)S/C(=C\\c3ccc(OCc4ccccc4)cc3)C1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYDLAPOYXYVHSC-HMAPJEAMSA-N", "SMILES:O=C1c2ccccc2C(=O)N1CC(=O)N1C(=O)S/C(=C\\c2ccc(OCc3ccccc3)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIPPGPLQRFIIHV-GRSHGNNSSA-N", "SMILES:CS(=O)(=O)N1CCN(CC(=O)N2C(=O)S/C(=C\\c3ccc(NC(=O)c4cc(O)c(O)c(O)c4)cc3)C2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624476", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRUYGEXNBHDKLC-OYKKKHCWSA-N", "SMILES:O=C(Nc1ccc(/C=C2\\SC(=O)N(C(=O)CN3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDZYFEVAERDXIL-IDUWFGFVSA-N", "SMILES:O=C(Nc1ccc(/C=C2\\SC(=O)N(C(=O)CN3CCn4c(nnc4C(F)(F)F)C3)C2=O)cc1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJMBTYHHCCVYCT-IOXNKQMXSA-N", "SMILES:CS(=O)(=O)n1cc2c(n1)CN(CC(=O)N1C(=O)S/C(=C\\c3ccc(NC(=O)c4cc(O)c(O)c(O)c4)cc3)C1=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZSQNOFUQYTFGP-UKWGHVSLSA-N", "SMILES:O=C(Nc1ccc(/C=C2\\SC(=O)N(C(=O)CN3C(=O)c4ccccc4C3=O)C2=O)cc1)c1cc(O)c(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNVCPXGOCVUJHV-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBHPPMCWAMYIW-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVGPOAGCDAZNTP-AATRIKPKSA-N", "SMILES:CCS(=O)(=O)N1CCC(c2ccc(Nc3nccc(Oc4c(C)cc(/C=C/C#N)cc4C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFLOHGBINHLOSS-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(C3CCN(S(=O)(=O)C4CC4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAOUDXDFTYERSP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)C(C)C)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYUNUALARBFXNC-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEZMGEDDNMIJGK-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZCGDQMJGLCCMX-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CC[S+]([O-])CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNISRUPAWFIVBV-AATRIKPKSA-N", "SMILES:CCS(=O)(=O)N1CCN(c2ccc(Nc3nccc(Oc4c(C)cc(/C=C/C#N)cc4C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWAWLGJQJZALDM-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGDNWJSCBFAXPC-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUBDRBUVYLVTFY-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRRPNJSYFSOBFP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USHVLSMBAGVIPM-AATRIKPKSA-N", "SMILES:CCS(=O)(=O)N1CCN(c2ccc(Nc3nccc(Oc4c(C)cc(/C=C/C#N)cc4C)n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUKQOJKWQIMNC-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630783", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMJKDGOWZBLCPA-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCS(=O)(=O)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQLFZLBTPCDLCF-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)C(C)C)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKHXAACSZOZAAI-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJCVZASHKXNIEM-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(C3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUHXXZTMOGOLA-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)N1CCN(c2ccc(Nc3nccc(Oc4c(C)cc(C#N)cc4C)n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXYMFXAFZUGJGM-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAJOHWJBKUBJJW-AATRIKPKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)C(C)C)CC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQOTNQKUBGZEI-ONEGZZNKSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(N3CCOCC3)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4453186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPQWDVLQSPPBAJ-SNAWJCMRSA-N", "SMILES:Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNDBTKYGUJHZJB-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGIGVZONEAHWJZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEVHAQAKNBSVMC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(N)c(C(=O)OC(C)C)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQKXWKUUNIUHIQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(N)c(C(=O)OC(C)(C)C)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCPHKGOMZLHGFZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(N)c(C(N)=O)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHNCVAKOWQBSFJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(N)c(C#N)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKPWQXMESIWDK-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMQKQGACCKDHFT-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccccc2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZZMPEBMQNEMMN-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2cccc(C)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSZLUAVEAYZPRU-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCQAMSHAENLERK-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2c(C)cc(C)cc2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWSYQAUFLXYSQV-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccccc2OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJNGEMPTSYYEQN-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2cccc(OC)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDSJZHGBTOXMHU-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccc(OC)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLJHRYLDKWXRI-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTLHIYHANFUTRR-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccc(N(C)C)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCRHHUPIOWOOO-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccc(F)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHXSMDLBFPRIX-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSEXCMRVTSHWNZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccc(C#N)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQMFFSMUPYQVKF-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2cccnc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVYNEQPMOPZNAK-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2nccs2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBUGYLSGTQXDDL-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(C(=O)Nc2ccc(C)cc2C)sc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUKNSHPYDAPFMK-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(N)sc(C(=O)Nc2ccc(O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZONZWZPIQOCRX-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccc(C)cc2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLSHWRYWOOWHQH-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(N)c(C(=O)O)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZIRIWNBMIJQG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(N)c(C(=O)NCC#N)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSUJKRUCFIUDMA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2sc(N)c(C(=O)CO)c2C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMKXVFYPWCZQIW-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWIRQXFZICTBBT-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQXWXYRDZXXLDP-UHFFFAOYSA-N", "SMILES:CC(=O)c1c(N)sc(C(=O)Nc2ccc(F)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4635503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBKWJVKVLJBPD-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVPHVKQKQUGOBL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(C(=O)NCc3ccc(C(=O)NO)cc3)cc3c2[nH]c2ccccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYXQBVCOCXDVTA-UHFFFAOYSA-N", "SMILES:CN1CCC2c3ccccc3N(Cc3ccc(C(=O)NO)cc3)C2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCGWZCOFOQVDLH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(CN(c3ccc4oc(C(=O)O)cc4c3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXXHQPLHWIBAEL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3cccc(-c4ccccc4)c3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJBWAUMWFOYFGU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(OCc4ccccc4)cc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOCBXKJZYAYEIU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccc(-c4cccc(O)c4)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHDCCMHJUNWASX-WPWMEQJKSA-N", "SMILES:CC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2C1c1ccc(N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHTVHIGJPAXMQU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccc(Cl)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULLOGRFZUSUESD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3cc(Cl)c(F)cc3F)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARFQZOFVNPMLCR-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccc(Cl)nc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJXZJHQTVNHFAT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccc(-c4cccs4)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGQDFEOKUTUJRV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccc(Cl)cc4)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DONNBZUQCJXSSB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWEXCANSKVWJFY-UHFFFAOYSA-N", "SMILES:CCCCCCNc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc3oc(C(=O)O)cc3c2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFJVVNGWTJSZEA-UHFFFAOYSA-N", "SMILES:CCCCCCNc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc3oc(C(=O)O)cc3c2)cc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWNJLWABGTYYJS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccccc3)S(=O)(=O)c3ccc(NCCOc4ccccc4)c([N+](=O)[O-])c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAPARKXYSMJYIU-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3cccc(Br)c3)S(=O)(=O)c3ccc(NCCOc4ccccc4)c([N+](=O)[O-])c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCRYALXRYDGMSV-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOFXEBJOEOQGOI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(Oc4ccccc4)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTRAMRYQQLJARS-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4cccc(Cl)c4Cl)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FULWIHLSBZJHNB-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccc(Br)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630505", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHEBDDWWYTYIPF-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFNYEPLHMFOTHT-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccc(Cl)cc4)cc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRNIDRGFEHENJA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc(CN(c3ccc4oc(C(=O)O)cc4c3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFFUZFAANPUPJO-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccco4)cc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTRORFQLIRHTHC-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(Oc4ccccc4)cc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGCNEVWDDVMVLI-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2cc(N(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccccc3Cl)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIEXYXRQVFNNFA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3nc(C)c4ccccn34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXUMFEVSZUTRGW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3ncc4c(C)cccn34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPMMQSSAKXPPSO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3ncn4c(C)cccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTMWELDUWVKIFL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cnn4c(C)cccc34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMLXGZSFXGIAIH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4c(C)nccn34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEFWUILIMFIVSE-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(C)cccn34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNVQYGLZAMYVSX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(Cl)cccn34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGYGQBGDYKSWQF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(OC)cccn34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLBIZBRJHBUATH-PKNBQFBNSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)/C=C/CN(C)C)cc1Nc1nccc(-c2ncc3c(C)cccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVRHLAWPFHDHOQ-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cc(Nc2nccc(-c3ncc4c(C)cccn34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAEZWFIYONVVMY-PKNBQFBNSA-N", "SMILES:COc1cc(N(C)CCN(C)C)c(NC(=O)/C=C/CN(C)C)cc1Nc1nccc(-c2cnc3c(C)cccn23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWQQWVVEDSCTSX-UHFFFAOYSA-N", "SMILES:CC#CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(C)cccn34)n2)c(OC)cc1N(C)CCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUJVRZBXBXDRHL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(C)cccn34)n2)c(OC)cc1N(C)C1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBHEOONYLGJAO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(C)cccn34)n2)c(OC)cc1N(C)CCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQVOZBNAXDCXEF-MDZDMXLPSA-N", "SMILES:CCC(O)(CC)CCCOc1cccc(/C=C/c2ccc(CO)c(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPRUKSUHPRKDTK-BQYQJAHWSA-N", "SMILES:CC(C)(O)CCCOc1cccc(/C=C/c2ccc(CO)c(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYMYABUZMDCNLX-MDZDMXLPSA-N", "SMILES:C=CCC(O)(CC=C)CCCOc1cccc(/C=C/c2ccc(CO)c(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJODPDALOPBSEM-MDZDMXLPSA-N", "SMILES:CCN(CC)CCCOc1cccc(/C=C/c2ccc(CO)c(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVJXFKNHBAUYAK-VOTSOKGWSA-N", "SMILES:CCN(CC)CCCOc1ccc(/C=C/c2ccc(CO)c(CO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CTQPTDABPZGABD-NSCUHMNNSA-N", "SMILES:OCc1ccc(/C=C/c2ccc(OCCCC(F)(F)F)cc2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQHOATBLDLRFGD-UHFFFAOYSA-N", "SMILES:OCCCCCOc1ccc(CCc2ccc(CO)c(CO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBYOCMMDYBDMCF-UHFFFAOYSA-N", "SMILES:CCC(O)(CC)CCCCOc1ccc(CCc2ccc(CO)c(CO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPJNYKYVRZGBAA-UHFFFAOYSA-N", "SMILES:OCCCCOc1cccc(COc2ccc(CO)c(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVFNTURIDHKFOO-UHFFFAOYSA-N", "SMILES:CCC(O)(CC)CCCOc1cccc(COc2ccc(CO)c(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNFVPQLAZLEETM-UHFFFAOYSA-N", "SMILES:C=CCC(O)(CC=C)CCCCCOc1cccc(COc2ccc(CO)c(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDUBLGNXVMTCKK-UHFFFAOYSA-N", "SMILES:CCC(O)(CC)CCCOc1cccc(C(C)Oc2ccc(CO)c(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYBOFRACUGJSAA-UHFFFAOYSA-N", "SMILES:CCC(Oc1ccc(CO)c(CO)c1)c1cccc(OCCCC(O)(CC)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAMMXYVEJFUYDB-UHFFFAOYSA-N", "SMILES:CCCC(Oc1ccc(CO)c(CO)c1)c1cccc(OCCCC(O)(CC)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIXURUVLOXEGAF-UHFFFAOYSA-N", "SMILES:CCCCC(Oc1ccc(CO)c(CO)c1)c1cccc(OCCCC(O)(CC)CC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXPXBKTUIIMWOX-UHFFFAOYSA-N", "SMILES:CCN(CC)CCCOc1cccc(COc2ccc(CO)c(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXJFGMFDLGTNLZ-UHFFFAOYSA-N", "SMILES:COC(=O)CCCCOc1cccc(COc2ccc(CO)c(CO)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2434990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLBBZSWGKDNDJZ-JINQPTGOSA-N", "SMILES:CCn1c(C(=O)N[C@@H](C)CO)ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXMDYCBYMCFQBC-AATRIKPKSA-N", "SMILES:OCc1ccc(/C=C/c2cccc(OCCCC(F)(F)F)c2)cc1CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZTPWVGWFHPODZ-UHFFFAOYSA-N", "SMILES:O=C1c2cccc3cccc(c23)C(=O)N1CCSc1nnc(Cn2nc(Cc3ccc(F)cc3)c3ccccc3c2=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEHRJCRQKISPCW-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(N)cccc3C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVDZRTYISZXFC-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(O)cccc3C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGXKYGMIEHKJAA-UHFFFAOYSA-N", "SMILES:COc1cc(CN2CCc3c(Br)cccc3C2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNDPPXXLNZOULZ-UHFFFAOYSA-N", "SMILES:CC(=O)CCN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MAOAAQNJFDDMQL-JLCZPCJSSA-N", "SMILES:CCCCCCC(CCCC(O)CCCCCCCCCCCCCC(O)C(=O)O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](OC(C)=O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALPVBGFZTHIMJT-NPBSHTHCSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(N)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOOQIVKQOAEQTL-ZGELKJLSSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NCc6ccccc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNAZBVQGUMJVAS-SMHPFREUSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(C)=O)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQYXRMKNFVCKCU-MCAHOCMRSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)C6CC6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RETBREPSDNZBRS-HLZRNVTGSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)C(C)(C)C)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDWFHMHYEZCJSE-TZRPNGNJSA-N", "SMILES:CCCC(CCC)C(=O)Nc1ccc(C(=O)[C@H]2C[C@@]34C=C[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVWOCCWPLOEFK-KXFZGPLWSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6ccccc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJOHPTLWWGXDQQ-UMQNPBTBSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6ccc(C)c(C)c6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUJMLAATDXZWPQ-KXFZGPLWSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6ccc(C(F)(F)F)cc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLJCZSVOPAAYBB-TZRPNGNJSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(C(=O)[C@H]3C[C@@]45C=C[C@]3(OC)[C@@H]3Oc6c(OC)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJVMCTGMDSCLDO-TZRPNGNJSA-N", "SMILES:COc1cccc(C(=O)Nc2ccc(C(=O)[C@H]3C[C@@]45C=C[C@]3(OC)[C@@H]3Oc6c(OC)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTQUNKQNERLUCM-FKAQWWEGSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6cccnc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVQSPVJHGTIML-FKAQWWEGSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6ccncc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCCKGKVAPRIXAJ-DGYRSLSWSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6ccsc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVZAPRGVMSHNCD-DGYRSLSWSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6cnn(C)c6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625124", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVTVCLXFQFQXPW-TZRPNGNJSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)Cc6ccccc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHWWSBHGYNQYTN-BJDRWJQDSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)Cc6ccc(C)c(C)c6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCYIWAKEFHRPKV-UMQNPBTBSA-N", "SMILES:COc1ccc(CC(=O)Nc2ccc(C(=O)[C@H]3C[C@@]45C=C[C@]3(OC)[C@@H]3Oc6c(OC)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEQIGEQEESWWAX-DHQVXLGYSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)OCc6ccccc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZVUAKBCTNDAJX-YFPYUXHWSA-N", "SMILES:COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)C(C(=O)c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4208749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZIMBFHRXYRLL-XDHOZWIPSA-N", "SMILES:O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYHWIIOJKTWJM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNAQSIJBPPKFAQ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBHWYWIBPZXAFP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)c1ccc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5614075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTZBQYOJABHMES-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5612093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRRLEIKSJOSQJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRIZCVOQYFNRFK-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPTGIZISGIMLIO-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(-c3ccc(O)cc3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRNIPOGVHCWUIB-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2ccc(-c3ccc(O)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZXWQBAUUFUOJI-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYYPSUCERZXVBI-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(NC(=O)c2ccc(-c3ccc(O)cc3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULLYEHGBULUDPD-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)c1ccc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYKCEXPHUSSWJJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)c1ccc(-c2ccc(O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPDIKAAFTSSBOD-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(F)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEBRLSQJUKZQGJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(-c2ccc(C(=O)Nc3cccc(F)c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZRUYFVYEVJCPZ-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(O)c(Cl)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQXKPWZDZDBUKJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(F)cc1)c1ccc(-c2cccc(O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXYBNXYHBVXAIP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1ccc(-c2cccc(O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JODJJYAIERLEFC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2ccc(-c3cccc(O)c3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PONVQMGFUGHHMU-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cccc(O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSNXJEGUHHEHBB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(Cl)c1)c1ccc(-c2cccc(O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUCJPHZDBDZIJO-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccsc1)c1ccc(-c2cccc(O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFPLZOEOKRKBB-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2ccc(C(=O)Nc3cccc(F)c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZCRORIUSNJAHJ-UHFFFAOYSA-N", "SMILES:Nc1cccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBBJBISWYZLGML-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1ccc(-c2cccc(B(O)O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKYDHIYMDPCSQA-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(B(O)O)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKROIKQTGRZRKF-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1F)c1ccc(-c2cccc(B(O)O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSHVLRNVGDIWJV-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1ccc(-c2cccc(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLSYKRMPCGTRM-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1ccc(-c2ccccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFDPBIGVZSUGCP-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(O)cc1)c1ccc(-c2ccsc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUXOJUZXLXVJP-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(O)c1)c1ccc(-c2ccsc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSJGFMSZDJCXQN-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(O)c1)c1ccc(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIHKGMDOJYNLEL-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(O)c1)c1ccc(-c2ccccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLZXVFSUICILW-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(B(O)O)c1)c1ccc(-c2ccc(F)cc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLLORHKPNDXGU-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(B(O)O)c1)c1ccc(-c2cccc(F)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFVKYXTYSLYYCI-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(B(O)O)c1)c1ccc(-c2ccccc2F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYSHJAPIBJYRIB-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(B(O)O)c1)c1ccc(-c2ccsc2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624680", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFXJDNGILUPGTD-SXOMAYOGSA-N", "SMILES:C[C@]1(O)CC2=C(C[C@@]1(C)O)C(=O)c1c(O)cc(N3CCC(c4ccccc4)CC3)c(O)c1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHGIRHHYXMSBAA-SFHVURJKSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZPLTWPXLXBYJL-SFHVURJKSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1ccccc1B(O)O)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTNKNBCYZAJJCL-SFHVURJKSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625071", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNHMXJIINSBZFX-SFHVURJKSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXKZQAWKAXBIOW-SFHVURJKSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1ccc(F)c(B(O)O)c1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVQLUTLQWGEXFG-HNNXBMFYSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c2nonc2c1)C(=O)NCc1cccc(B(O)O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDHXSLHHCSTMGO-HNNXBMFYSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c2nonc2c1)C(=O)NCc1ccccc1B(O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZNJLZHFEMUNBU-HNNXBMFYSA-N", "SMILES:N=C(CCl)NCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c2nonc2c1)C(=O)NCc1ccc(B(O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVPONTDPEZTSBW-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(-c3nccnc3-c3cnn(CC4CCCC4)c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZICZWZAXKGWSE-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(-c3ccncc3-c3cnn(CC4CCCC4)c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPVHYQSEHLGPDM-UHFFFAOYSA-N", "SMILES:CCCN1Cc2ccc(-c3nc(C)ccc3-c3cnn(CC4CCCC4)c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHELVTQAIWINKB-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2cccc(C(N)=O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCCXXTGNZDMCQC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2cccc(N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLHSOTLAJOPZLJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC(C)C)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMQWUXEPFLHOV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CC3)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGTSAKSUUWXSMV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCC3)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXGRTVKDYGMIGA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCCC3)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAIQOQNYKGTLGL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGYHRLUSTJPCEC-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(-c3cnccc3-c3cnn(CC4CCCC4)c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VONHSCUZLZTBHG-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cccc(-c2nc(C)ccc2-c2cnn(CC3CCCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJWMBJVLYJBKNX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cccc(-c2nc(C)ccc2-c2cnn(CC3CCCC3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWPHVYAOUWSJJN-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc(N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAPLYNIXYINKLJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc(F)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNPWOLCVUWTLJZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(Cc3ccccc3)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXRULSLOVLRIGH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(C)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWULIZDPCQVDRM-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPBASGOFRVSLKH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc3c(c2)C(=O)N(C)C3)c(-c2cnn(CC3CCOCC3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBACBCPWWQBMPG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRSXZKNVELSQID-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc(N)c([N+](=O)[O-])c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SODJNWPOXFGERJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2cccc(C(=O)N(C)C)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAARLMQPVGQWFA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3c(c2)NC(=O)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631073", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTCWSYJGTWCSFF-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(-c3ncccc3-c3cnn(CC4CCCC4)c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVGQYDYLQUQRTE-UHFFFAOYSA-N", "SMILES:CN1Cc2ccc(-c3ccccc3-c3cnn(CC4CCCC4)c3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACALNJUTYOTFKG-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(CC3CCCC3)nn2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRUEILMBCILDA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2cc(CC3CCCC3)nn2)c(-c2ccc3c(c2)C(=O)N(C)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZMWKWCZOYXHU-UHFFFAOYSA-N", "SMILES:O=C1CC(c2cccc(OCc3ccccc3)c2)C2Cc3ccccc3CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZMWKWCZOYXHU-DNQXCXABSA-N", "SMILES:O=C1C[C@H](c2cccc(OCc3ccccc3)c2)[C@H]2Cc3ccccc3CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLZMWKWCZOYXHU-ZEQRLZLVSA-N", "SMILES:O=C1C[C@@H](c2cccc(OCc3ccccc3)c2)[C@@H]2Cc3ccccc3CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VILWOSBSWCXZAK-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(-c3n[nH]cc3Nc3ccnc(NCC4CCCCC4)n3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLXQXUOWCOLSOV-UHFFFAOYSA-N", "SMILES:CCN(CC)CCNc1nccc(Nc2c[nH]nc2-c2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOTPPYQMFUBDOX-UHFFFAOYSA-N", "SMILES:COC(=O)c1cc(Nc2c[nH]nc2-c2nc3ccccc3[nH]2)nc(Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SACKYCWIRFWCHB-UHFFFAOYSA-N", "SMILES:Clc1nccc(Nc2c[nH]nc2-c2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWNSCTDCNOXXTQ-UHFFFAOYSA-N", "SMILES:Nc1nccc(Nc2c[nH]nc2-c2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXQKWJSHKKTHJZ-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2nccc(Nc3c[nH]nc3-c3nc4ccccc4[nH]3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AANNWTQLEGZASL-UHFFFAOYSA-N", "SMILES:O=C(Nc1nccc(Nc2c[nH]nc2-c2nc3ccccc3[nH]2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPQPGXVFHZBPO-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4ccccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKCPONALAWYZEG-UHFFFAOYSA-N", "SMILES:CCNc1c[nH]nc1-c1nc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRTYCGQTNDXFH-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(-c3n[nH]cc3NCc3ccncc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWCDXOFKRIFFFU-UHFFFAOYSA-N", "SMILES:Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZKFTOHWSWNMSA-UHFFFAOYSA-N", "SMILES:Nc1cc(Nc2c[nH]nc2-c2nc3ccccc3[nH]2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJVFFHDJPZSTMK-UHFFFAOYSA-N", "SMILES:c1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMBSIPIBKKNZNV-UHFFFAOYSA-N", "SMILES:Nc1nccc(Nc2c[nH]nc2-c2nc3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQGZTVEWFXFAZ-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)[nH]c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBPXIBOMCPFZBJ-UHFFFAOYSA-N", "SMILES:Cc1nc(Nc2c[nH]nc2-c2nc3cc(C)c(C)cc3[nH]2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDFHZZXXAXBWGR-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(-c3n[nH]cc3Nc3ccnc4[nH]ccc34)[nH]c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BABBQEZTTAXIQF-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(-c3n[nH]cc3Nc3ncnc4sccc34)[nH]c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXCXCVDSFLPTLE-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(-c3n[nH]cc3Nc3ncnc4c3ccn4C)[nH]c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOLQXSHZACNPGO-UHFFFAOYSA-N", "SMILES:Clc1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGSNEEBCWBHMMJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLQBGZJFTPXVKT-UHFFFAOYSA-N", "SMILES:Cc1cccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVFIEWKTFOOUNQ-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDFEKBCYIGSCC-UHFFFAOYSA-N", "SMILES:c1cc(N2CCCCC2)c2nc(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQOMVSIOAWBNKH-UHFFFAOYSA-N", "SMILES:c1nc(Nc2c[nH]nc2-c2nc3cc(N4CCCCC4)ccc3[nH]2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRWQUKRRZNXULI-UHFFFAOYSA-N", "SMILES:CN(C)CCN(C)c1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQCIVIKXUQCBLB-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3[nH]c(-c4n[nH]cc4Nc4ncnc5[nH]ccc45)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630115", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEIZZGRNVJAPMH-BETUJISGSA-N", "SMILES:C[C@@H]1CN(c2ccc3[nH]c(-c4n[nH]cc4Nc4ncnc5[nH]ccc45)nc3c2)C[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHSHWBYEKHJWDP-UHFFFAOYSA-N", "SMILES:Fc1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILOSBTBTBIPIDE-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBHFVFQAFDAQBA-UHFFFAOYSA-N", "SMILES:COc1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSEWCVJLVMHMKY-UHFFFAOYSA-N", "SMILES:COc1cccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRFPJCJXGWWJDN-UHFFFAOYSA-N", "SMILES:c1cc(N2CCCC2)c2nc(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIWBSJFRPIYULZ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630292", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOCLWHVNLICBBT-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUUOMBBMPBLIJG-UHFFFAOYSA-N", "SMILES:COCCOc1ccc2[nH]c(-c3n[nH]cc3Nc3ncnc4[nH]ccc34)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSHCGLLGVLXBJB-UHFFFAOYSA-N", "SMILES:CC(C)N1CCN(c2ccc3[nH]c(-c4n[nH]cc4Nc4ncnc5[nH]ccc45)nc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONVBGJGFXCTJOH-UHFFFAOYSA-N", "SMILES:c1nc(Nc2c[nH]nc2-c2nc3cc(OCCN4CCOCC4)ccc3[nH]2)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4069377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNSQANVPHXTUQU-UHFFFAOYSA-N", "SMILES:O=C(CCC1CCCC1)N1CCCC1"]}
{"name": "HTH-type transcriptional regulator EthR", "xref": ["CHEMBL.TARGET:CHEMBL1772929"], "id": "UniProtKB:P9WMC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:83332"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLOJSAYUWXASOD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(N2CCC(CCC(=O)N3CCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4096606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABHBNGLDUNAXSR-UHFFFAOYSA-N", "SMILES:CNCc1ccc(N2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRJAXZYYOAVDGH-DCWQJPKNSA-N", "SMILES:COc1ccc(CCC(=O)N2CCC(SS[C@@H]3CCN(C(=O)CCc4ccc(OC)cc4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5191847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPGLEEQAHFSCGJ-UHFFFAOYSA-N", "SMILES:O=C(NCCC(F)(F)F)c1ccc(-c2noc(C3CC3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRHZMJSDCJXWDL-UHFFFAOYSA-N", "SMILES:Cc1cc(N)n(Cc2ccccc2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5624589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHIMGULMAMLLAJ-UHFFFAOYSA-N", "SMILES:O=C(NCc1cccnc1)NC1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCLKGPBFWUZGAO-UHFFFAOYSA-N", "SMILES:Cc1cncc(CNC(=O)NC2CCN(c3ncccn3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHMPTBBICSORX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(CC2CCCCC2)cc(O)c1C1CCN(c2ncccn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZVOASTYHQSAJJ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)Nc1ccc(I)cc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBOXQKDXBUFYSA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(I)cc1C(=O)O)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4162042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXJALABMYVGINA-UHFFFAOYSA-N", "SMILES:Cc1ccn(C(C)c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4166541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUPDWYSTSLHVKJ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(F)cc3Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOVSFDUYYXXWGJ-UHFFFAOYSA-N", "SMILES:Cc1cc(N)n(Cc2ccc(C(=O)NCc3ccc(F)cc3Cl)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZALOIVVPVGDBJF-UHFFFAOYSA-N", "SMILES:Cc1cc(N)n(Cc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4227945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLIOAWKNPLJMID-UHFFFAOYSA-N", "SMILES:Brc1ccc(-c2c[nH]cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5081820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USSMIQWDLWJQDQ-UHFFFAOYSA-N", "SMILES:Cc1c(C(=O)O)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMJGNSVNJWLCNN-UHFFFAOYSA-N", "SMILES:O=C(CCc1c[nH]c2ccccc12)Nc1c(C(=O)O)cnn1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630127", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPPLAEXKODYGTP-LJQANCHMSA-N", "SMILES:O[C@H](CN1CCc2ccccc2C1)Cn1ccc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHBJGYBIPFXXBF-HXUWFJFHSA-N", "SMILES:Cc1cc2ccccc2n1C[C@H](O)CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITWYDVQAQKPXLO-LJQANCHMSA-N", "SMILES:Cc1cn(C[C@H](O)CN2CCc3ccccc3C2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZFPTNPBTHQFDT-LJQANCHMSA-N", "SMILES:Cc1cccc2c1ccn2C[C@H](O)CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGOTBPIWHJPLH-HXUWFJFHSA-N", "SMILES:Cc1ccc2c(ccn2C[C@H](O)CN2CCc3ccccc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXKXTGYWYOPYIH-HXUWFJFHSA-N", "SMILES:Cc1ccc2ccn(C[C@H](O)CN3CCc4ccccc4C3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHWVMUIVGDXJNF-LJQANCHMSA-N", "SMILES:N#Cc1cn(C[C@H](O)CN2CCc3ccccc3C2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJYNICUFPTGQQ-LJQANCHMSA-N", "SMILES:N#Cc1cccc2c1ccn2C[C@H](O)CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORSBYIUMZJSBIZ-HXUWFJFHSA-N", "SMILES:N#Cc1ccc2c(ccn2C[C@H](O)CN2CCc3ccccc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYHUGSXIFINCTN-HXUWFJFHSA-N", "SMILES:N#Cc1ccc2ccn(C[C@H](O)CN3CCc4ccccc4C3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHAYMZVQOABQMX-HXUWFJFHSA-N", "SMILES:N#CCc1cn(C[C@H](O)CN2CCc3ccccc3C2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTMOYYOSMGXDTI-GOSISDBHSA-N", "SMILES:COc1cccc2c1ccn2C[C@H](O)CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBVMUGJPXQTTTC-LJQANCHMSA-N", "SMILES:COc1ccc2c(ccn2C[C@H](O)CN2CCc3ccccc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEAAZIHWNDPKJV-QGZVFWFLSA-N", "SMILES:O[C@H](CN1CCc2ccccc2C1)Cn1ccc2c(F)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQCHSUCFKTFEP-LJQANCHMSA-N", "SMILES:O[C@H](CN1CCc2ccccc2C1)Cn1ccc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJEPLMNCKJNZEI-HXUWFJFHSA-N", "SMILES:Cc1cc2cc(F)ccc2n1C[C@H](O)CN1CCc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPPQCJNOXOUMIJ-LJQANCHMSA-N", "SMILES:O[C@H](CN1CCc2ccccc2C1)Cn1ccc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FASHMTVGETZHHX-LJQANCHMSA-N", "SMILES:O[C@H](CN1CCc2ccccc2C1)Cn1ccc2ccc(Cl)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPWKYWAPZFHJMO-LJQANCHMSA-N", "SMILES:O[C@H](CN1CCc2ccccc2C1)Cn1ccc2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQBHAIPIXPQYTO-LJQANCHMSA-N", "SMILES:CC(=O)c1cn(C[C@H](O)CN2CCc3ccccc3C2)c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFSOQQVDAIJQES-MHZLTWQESA-N", "SMILES:O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCN(C(=O)c1ccc(Br)cc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFWWRPOINQYNQZ-LRTDYKAYSA-N", "SMILES:COc1ccc2c(ccn2C[C@H](O)CN2CCc3ccccc3C2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPXDPCKDTXRXNI-LJQANCHMSA-N", "SMILES:COc1ccc2c(ccn2C[C@H](O)CN2CCc3cc(OC)c(OC)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVELBLLKIIBUNR-LJQANCHMSA-N", "SMILES:COc1ccc2c(ccn2C[C@H](O)CN2CCc3cc(Br)ccc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUFPNKGODRFLBT-LJQANCHMSA-N", "SMILES:COc1ccc2c(ccn2C[C@H](O)CN2CCc3cc(O)ccc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDKBNMGMVMRHAS-LJQANCHMSA-N", "SMILES:COc1ccc2c(ccn2C[C@H](O)CN2CCc3ccc(Br)cc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPHTXWLXCWGDCZ-LJQANCHMSA-N", "SMILES:COc1ccc2c(c1)CCN(C[C@@H](O)Cn1ccc3cc(OC)ccc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHAPPHCQNXOUPH-XCWJXAQQSA-N", "SMILES:CC1c2ccccc2CCN1C[C@@H](O)Cn1ccc2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBIXGTFDKIMRCP-LJQANCHMSA-N", "SMILES:COc1cc2c(cc1OC)CN(C[C@@H](O)Cn1ccc3ccc(Br)cc31)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOCHOUDPABSLFS-LJQANCHMSA-N", "SMILES:O[C@H](CN1CCc2cc(Br)ccc2C1)Cn1ccc2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRTJMZANBDMCJP-LJQANCHMSA-N", "SMILES:Oc1ccc2c(c1)CCN(C[C@@H](O)Cn1ccc3ccc(Br)cc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BENCAAJQHHJCBT-LJQANCHMSA-N", "SMILES:O[C@H](CN1CCc2ccc(Br)cc2C1)Cn1ccc2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUJKBCWZQJOYCB-LJQANCHMSA-N", "SMILES:COc1ccc2c(c1)CCN(C[C@@H](O)Cn1ccc3ccc(Br)cc31)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWUJEBMZVOXRBH-KEBDBYFISA-N", "SMILES:O=C(N/N=C/c1ccccc1)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMDWOWHGUDIDKF-UFFVCSGVSA-N", "SMILES:Cc1ccccc1/C=N/NC(=O)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFINEEDMYJBAMR-UFFVCSGVSA-N", "SMILES:Cc1cccc(/C=N/NC(=O)c2cccc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAUUJVUFDOALRD-UFFVCSGVSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)c2cccc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLNMSHMNDVPSJY-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccccc1F)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWQCFRHQCBCEBK-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1cccc(F)c1)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVASRNBJQWCSOE-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccc(F)cc1)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHDEJFGXSRYJQ-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccccc1Cl)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQSCKGUZPIAEEO-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1cccc(Cl)c1)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBJYFRPECMJXDG-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBFXVVDVJECEI-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccccc1Br)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKBBUFFNUHRVKW-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1cccc(Br)c1)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVPTWZXRZZTUHM-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccc(Br)cc1)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIRSKNHRTHFWCO-KEBDBYFISA-N", "SMILES:O=C(N/N=C/c1ccccc1)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFZJEXDFXJOPDZ-UFFVCSGVSA-N", "SMILES:Cc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCBOOSDSPFZLPY-UFFVCSGVSA-N", "SMILES:Cc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCQSVMZCVNGMFG-UFFVCSGVSA-N", "SMILES:Cc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZANWPPPBVLXFS-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccccc1F)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRTAEEUOBQCPEU-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1cccc(F)c1)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDPFXLZTGHEAHV-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccc(F)cc1)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQWYNNBJCCOXHW-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccccc1Cl)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVPILGQQPGBBKE-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHZFCKNDSBUETG-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVFBJYXAFHVQTJ-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccccc1Br)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDAPBSBQDLLCJO-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1cccc(Br)c1)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOFZOUCKAQOQTQ-ZVBGSRNCSA-N", "SMILES:O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXVXVRNOOYSEV-CYBMUJFWSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDAZGCIWAHIWDE-CYBMUJFWSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXVXVRNOOYSEV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OC(C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMXVXVRNOOYSEV-ZDUSSCGKSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(O[C@@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTGDJALSZGUHRX-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OCc3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDCXCYYQCDJREL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OCc3c(Cl)cccc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCAWYMVGHZMLFY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OCc3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDPBYCKIXQHERH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OCc3cccnc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKCFDUVRSGTOQW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OCc3ccccn3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERFNSMGUOGOJJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OC(C)c3c(Cl)cccc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFPOBLJJZYUFW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OC(C)c3ccncc3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTYWGASCVJPMIQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OC(C)c3c(F)cncc3F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDQJIXZSBYXYHX-GFCCVEGCSA-N", "SMILES:C=CC(=O)Nc1ccc(F)cc1-c1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJZPBXJWCIRAJV-QGZVFWFLSA-N", "SMILES:C=CC(=O)Nc1ccc(N2CCN(C)CC2)cc1-c1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZHMDIBJYVUIQ-MRXNPFEDSA-N", "SMILES:C=CC(=O)Nc1ccc(N2CCOCC2)cc1-c1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQYKATHKHJXPMQ-GFCCVEGCSA-N", "SMILES:C=CC(=O)Nc1cc(F)ccc1-c1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVGMKBWGCHARCX-QGZVFWFLSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1-c1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVYHDBRVJVNFRM-MRXNPFEDSA-N", "SMILES:C=CC(=O)Nc1cc(N2CCOCC2)ccc1-c1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWBAOIAVWPYRAB-CQSZACIVSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CN(S(C)(=O)=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZCXHFAGQQNRLF-CQSZACIVSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWDPHTVAXCPRPQ-OAHLLOKOSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CN(CCO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSTIVWYPQZLSJC-MRXNPFEDSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CN(CCOC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVESGLPPXHMLSW-OAHLLOKOSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CN(C)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTZUQOYNSOBKIP-MRXNPFEDSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CN(CCO)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYPGDLJYLZRKPP-QGZVFWFLSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CN(CCOC)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUWHIVQOEAZHGI-OAHLLOKOSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CCN(C)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAQGPIQQBKFMPP-MRXNPFEDSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CCN(CCO)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UALGLNGYKIOGDV-QGZVFWFLSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CCN(CCOC)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAXOOAVGFDCNLW-UHFFFAOYSA-N", "SMILES:Cc1oncc1C(=O)Nc1ccc2[nH]c(-c3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGQRCPDFHAJXRT-UHFFFAOYSA-N", "SMILES:Cc1oncc1C(=O)Nc1ccc2[nH]c(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSLSWGAQDCRBC-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(-c3nc4cc(NC(=O)c5cnoc5C)ccc4[nH]3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624983", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQCHVDICKXNAEO-UHFFFAOYSA-N", "SMILES:Cc1oncc1C(=O)Nc1ccc2[nH]c(-c3cc(-n4cncc4C)cc(C(F)(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBEVWWBHQDKATB-UHFFFAOYSA-N", "SMILES:Cc1oncc1C(=O)Nc1ccc2[nH]c(-c3cc(-n4ccnc4C)cc(C(F)(F)F)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNESFEKWVCHTPZ-UHFFFAOYSA-N", "SMILES:Cc1oncc1C(=O)Nc1ccc2[nH]c(-c3cnn(-c4ccccc4)c3C(F)(F)F)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GALSKEJIAPYDRA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)n3c(n2)nc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KANGIJGKYHASLH-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cc(-c3ccc4c(c3)OCO4)n3c(n2)nc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUBJXKDHSASDMI-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)n3c(n2)nc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAQYDDFEWFZHKK-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)n3c(n2)nc2ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFRAAIKPVDNAOI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(-c3cccc4ccccc34)n3c(n2)nc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKRFHVHREJUNIY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3cccc4ccccc34)n3c(n2)nc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LICXBSVIODZCBJ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3cccc4ccccc34)n3c(n2)nc2ccccc23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNYIWDYIFXHGAV-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2cc(-c3cccc4ccccc34)n3c(n2)nc2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGUUKYRTEFGGIR-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIOBYNMTZNOMLR-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)Nc1cccc(Cl)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMFQCEMVTYTRFJ-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCc1cccc(F)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYLXYUXDLJGIE-UHFFFAOYSA-N", "SMILES:Cc1cccc(CNC(=O)NCC(c2cccc(F)c2)N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMDFZIMWOIIDBH-UHFFFAOYSA-N", "SMILES:Cc1ccc(CNC(=O)NCC(c2cccc(F)c2)N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBRWIWGMZGOQDB-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCc1ccc(Cl)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMONRCFXLXJPBE-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCc1cccc(C(F)(F)F)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5625117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRWVYHZQFAUTMG-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCc1cccc(OC(F)(F)F)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFYKONMZDWZUOH-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIPPZNNSDSMBLL-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCc1ccc(C(F)(F)F)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQTYENWWLSGDV-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCc1ccc(F)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQBNYNFEBHSOHX-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCc1cccc(Cl)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBROOZFLNRXQDO-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCCc1ccccc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAROJUDUTVNIHP-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCCc1ccc(F)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOFJQJYCXDALJV-UHFFFAOYSA-N", "SMILES:Cc1ccc(CCNC(=O)NCC(c2cccc(F)c2)N(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGASXJCXCCBDOH-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCCc1ccc(Cl)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWSYIBNKEFHXRT-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCCc1ccc(C(F)(F)F)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPUNFOJNNMNTOA-UHFFFAOYSA-N", "SMILES:Cc1cccc(CCNC(=O)NCC(c2cccc(F)c2)N(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRDQHVZCVIKJKO-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCCc1cccc(C(F)(F)F)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKCMSWGKOJMLB-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCCc1cccc(F)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVDUSFCNRBQMNR-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCCc1cccc(Cl)c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSKUHYFOSCXVBT-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NCCCc1ccccc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKZLAJPAQMYKHE-UHFFFAOYSA-N", "SMILES:CN(C)C(CNC(=O)NC1CCCC1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDEPBNKCDRPYSO-YGVHHCOISA-N", "SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](S(=O)(=O)F)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUNTKZRXSZIOR-KJISEHJHSA-N", "SMILES:Cc1cc([C@H](C(=O)N2C[C@H](S(=O)(=O)F)C[C@H]2C(=O)N[C@@H](CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]32)c2ccc(-c3scnc3C)cc2)C(C)C)on1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNAFROCLXSLUGD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc3c2CN(C)Cc2cc(N4CCNCC4)ccc2-3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5624556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDIQEIXWPQIMAU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc3c2oc2cc(N4CCN(C)CC4)ccc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZCNTLPLQIJHEA-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc3c2COc2cc(N4CCN(C)CC4)ccc2-3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DERIBTSHHPNLEG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc3c2COCc2cc(N4CCNCC4)ccc2-3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIOZQSIYXGTSOO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc3c2COCc2cc(N4CCN(C)CC4)ccc2-3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFFKJPJEWNRMHC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc3c2CCOc2cc(N4CCNCC4)ccc2-3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMQQLUARMBFVKE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc3c2CCOc2cc(N4CCN(C)CC4)ccc2-3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5630942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPSFKSKLBMNVCZ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cncc3c2CN(C)Cc2cc(N4CCN(C)CC4)ccc2-3)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3187826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZLNOSRHZLTDMT-UHFFFAOYSA-N", "SMILES:Cc1ccccc1C(C(=O)NC1CCCC1)N(C(=O)Cn1cnc2ccccc21)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4651002", "category": ["biolink:ChemicalEntity"], "name": "SAFUSIDENIB", "xref": ["InChIKey:BOOMBLZEOHXPPX-BQYQJAHWSA-N", "SMILES:Cc1cn(C(=O)c2c(-c3c(Cl)cc(Cl)cc3Cl)noc2C(C)(C)F)c2cccc(/C=C/C(=O)O)c12"], "synonym": ["Safusidenib", "Safusidenib", "Safusidenib", "Safusidenib", "AB-291 FREE ACID", "DS-1001 FREE ACID"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VOOGTNMRUFZMDU-INIZCTEOSA-N", "SMILES:C[C@H](Nc1nccc(N2CCCC2=O)n1)c1ccc(Oc2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAXFUADQFIKHSJ-NSHDSACASA-N", "SMILES:C[C@H](Nc1nccc(N2CCCC2=O)n1)c1nc(-c2ccc(Cl)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMYLWMAHDJAYLP-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1nccc(N2CCCC2=O)n1)c1nc(-c2ccc(Cl)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBVFHFDLJXRCKE-LBPRGKRZSA-N", "SMILES:C[C@H](Nc1nccc(N2CCCC2=O)n1)c1cc(-c2ccc(Cl)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYISGKJVWCSRPO-ZSOXZCCMSA-N", "SMILES:C[C@H](Nc1nccc(N2CCC(N)C2=O)n1)c1nc(-c2ccc(Cl)cc2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQMGFQWVBUJDHP-STQMWFEESA-N", "SMILES:C[C@H](Nc1nccc(N2CC[C@H](C)C2=O)n1)c1cc(-c2ccc(Cl)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4472519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPIFALCAPCGTGS-UHFFFAOYSA-N", "SMILES:Cc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGLSHFNCQJDSOP-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C2=C(c3cn(CCCn4ccnc4)c4cc(Cl)ccc34)C(=O)NC2=O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZWXCHCQFFUQCW-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3ncc4c(n3)N(C(C)C)C(=O)OC4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUYKVXYHYSNEOJ-INIZCTEOSA-N", "SMILES:C=CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3ncc4c(n3)N(C)C(=O)OC4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYROKBWIUGQINH-SFHVURJKSA-N", "SMILES:C=CC(=O)N1CCC(N(C)Cc2ccc([C@H](C)Nc3ncc4c(n3)N(CC)C(=O)OC4)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4439727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXBUALZPMGDWCK-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CC(OCc2ccc([C@H](C)Nc3ncc4c(n3)N(CC(C)C)C(=O)OC4)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUDYXUKVOLBVPN-KRWDZBQOSA-N", "SMILES:C=CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OCC4(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4571722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZIKKCSMHNBNPK-WAOWUJCRSA-N", "SMILES:C=CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)O)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLZWVMXOKOOBSV-YMXDCFFPSA-N", "SMILES:C=CC(=O)N1CCN(C(CC)c2ccc([C@H](C)Nc3nccc(N4CCOC4=O)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRKYICITCPBBEB-HSTJUUNISA-N", "SMILES:C=CC(=O)N1CCN(C(CC2CC2)c2ccc([C@H](C)Nc3nc(F)cc(N4C(=O)OCC4(C)C)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWESPXQYXBDTJE-QFIPXVFZSA-N", "SMILES:COc1c(C)cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@@H]3C(N)=O)cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWMNDWCQEWDFPA-UHFFFAOYSA-N", "SMILES:CC1CC(n2c(Nc3ccc(C(C)C)cc3)nc3cc(C(=O)O)ccc32)CC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXRFMMNYIXZSHM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc2c(c1)nc(Nc1ccc(C(C)C)cc1)n2C1CC(C)CC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAYCJDYGIDLXRD-UHFFFAOYSA-N", "SMILES:CC1CC(n2c(Nc3ccc(C(C)C)cc3)nc3cc(CCC(=O)O)ccc32)CC(C)(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMYLUZDKNJFQH-TUVUNVSASA-N", "SMILES:C[C@H]1C[C@@H](n2c(Nc3ccc(OC(F)(F)F)cc3)nc3cc(CCC(=O)O)ccc32)CC(C)(C)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4281016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCRKYCQHOQKKS-LLVKDONJSA-N", "SMILES:C[C@@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-c2cccc(C(F)(F)F)n2)n1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4292293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNDBYTOOVAJFRN-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cccc(-c2nc(NCC3CC3)nc(NCC3CC3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4289822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFJGUJXRROVRQM-UHFFFAOYSA-N", "SMILES:FC1(F)CCC(Nc2nc(NC3Cc4ccccc4C3)nc(-c3cccc(C(F)(F)F)n3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4280772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJNPRCBREKXFRM-UHFFFAOYSA-N", "SMILES:FC1(F)CC(Nc2nc(NC3CC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4277352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWMKUJAOIPXYIG-UHFFFAOYSA-N", "SMILES:FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4288840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYMZYGUSADHRMY-UHFFFAOYSA-N", "SMILES:FC1(F)CCC(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4215717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVFDDVKCCBDPQZ-MSOLQXFVSA-N", "SMILES:C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLFOQYBZYKMRNJ-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1nn(Cc2ccc(F)cc2)c2c1CN(C(=O)c1ccc[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYCSPHYSYJHUKG-UHFFFAOYSA-N", "SMILES:Cc1cccc(NC(=O)c2nn(Cc3c[nH]cn3)c3c2CN(C(=O)c2ccc[nH]2)CC3)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUZIKWKPTBYGCR-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3cn(CCCn4ccnc4)c4cc(Cl)ccc34)C(=O)NC2=O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHKXZLWMIAJYPR-UHFFFAOYSA-N", "SMILES:Cn1cc(C2=C(c3c[nH]c4cc(Cl)ccc34)C(=O)NC2=O)c2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPRNISCVUUAMKU-UHFFFAOYSA-N", "SMILES:CC(C)n1nc(C2=C(c3cn(CCCn4ccnc4)c4cc(Cl)ccc34)C(=O)NC2=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4463644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZZYEUNYLVHGAO-ZJNRKIDTSA-N", "SMILES:C[C@H](Nc1nc(N2C(=O)OC[C@@H]2[C@H](C)F)c2cc[nH]c2n1)c1cn(-c2ccc(Cl)cc2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZFIIEOQSMCTKS-FIXISWKDSA-N", "SMILES:C[C@H](Nc1nc(N2C(=O)OC[C@@H]2[C@@H](C)O)c2cc[nH]c2n1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQVVBICVAUKPSH-YWPYICTPSA-N", "SMILES:COc1ccccc1[C@H](C)Nc1nc(N2C(=O)OC[C@@H]2[C@@H](C)O)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIMYWZDHAJEOJS-ZHACJKMWSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1cn(C)c2c(/C=C/C(=O)O)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KADGEUCPGOYAHO-MDZDMXLPSA-N", "SMILES:CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)n1ccc2c(/C=C/C(=O)O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMCZRYFJDIMNAM-ACCUITESSA-N", "SMILES:CC(C)(F)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)n1cc2c3c(cccc31)/C(=C/C(=O)O)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEJDEYZFTDRNEU-BQYQJAHWSA-N", "SMILES:COC(C)(C)c1onc(-c2c(Cl)cc(Cl)cc2Cl)c1C(=O)n1ccc2c(/C=C/C(=O)O)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633097", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRWLWJJKRVPXGR-MDZDMXLPSA-N", "SMILES:C=CC(=O)N1CCC(c2onc(-c3c(Cl)cccc3Cl)c2C(=O)n2ccc3c(/C=C/C(=O)O)cccc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTTKTSNRFDGVEO-UHFFFAOYSA-N", "SMILES:CC(C)(C#N)c1ccc2c(c1)N(C(=O)C1CCc3ccccc3CC1)Cc1cccnc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGPNXLIHHNDMRR-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1ccc2c(c1)N(C(=O)C1CCc3ccccc3CC1)Cc1cccnc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLPWPBPSVKMFKB-UHFFFAOYSA-N", "SMILES:O=C(N1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21)C12CCC3(F)CCC(CC(C3)C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXPMXMOAGRRGHT-UHFFFAOYSA-N", "SMILES:O=C(C1CC2(CC(O)C2)C1)N1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYDMXHIOMKDYHL-UHFFFAOYSA-N", "SMILES:COC(=O)C1CCC2=C(C1=O)C(c1c[nH]c3ccccc13)Nc1ccccc1N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL167779", "category": ["biolink:ChemicalEntity"], "name": "ZUCLOMIPHENE", "xref": ["InChIKey:GKIRPKYJQBWNGO-QPLCGJKRSA-N", "SMILES:CCN(CC)CCOc1ccc(/C(=C(\\Cl)c2ccccc2)c2ccccc2)cc1"], "synonym": ["Zuclomifene", "Zuclomifeno", "Clomiphene cis-form", "Clomiphene cis-form", "Transclomiphene", "Zuclomiphene", "ISOMER A", "RMI 16,312", "RMI-16,312", "RMI-16312", "Zuclomiphene"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5631335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXRFAQKQVNVOKI-ILBGXUMGSA-N", "SMILES:COc1ccc(C(=O)[C@@H](Cn2cncn2)[C@H](Sc2ccccc2)c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJUIFLHGYXHUGQ-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(C(F)(F)F)cc1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYLRSBFWOYTYNJ-MHJFOBGBSA-N", "SMILES:O=C1c2ccccc2C(=O)C2C1C(=O)N(CCCn1cnnc1)[C@H]2c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXASBEJNAWAXMU-UHFFFAOYSA-N", "SMILES:CSc1nn(-c2ccccc2C)c(-c2ccc3c(c2)OCCO3)c1-n1ccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEDDPKCAILDMBN-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2ccc([N+](=O)[O-])cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGHOXVMZWUAPJM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2ccc(C(=O)O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABMPXTOTTVDJOK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2ccc(F)cc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMJWDYLHOXDLF-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2cc(F)ccc2F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZZULYWOUJPCUQE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2ccc(C)cc2Br)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYDKYOIGPBAPK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1csc(Nc2ccc(Br)cc2C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL206789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNOVKAUCGLWSEE-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2nc(C(C)(C)C)cs2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJUOKPAURCSZTI-UHFFFAOYSA-N", "SMILES:Brc1ccc(CSc2nnc(-c3ncccn3)s2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLQDSNWKUFCJAB-UHFFFAOYSA-N", "SMILES:Fc1ccc(CSc2nnc(-c3ncccn3)n2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PWZQPKXNRBOCOB-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3ccn(S(=O)(=O)c4ccccc4)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNNBMTCSJFDVBD-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SXEIVUHDYGGBHR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBWAUTABJJENEJ-UHFFFAOYSA-N", "SMILES:COc1cnc(C(=O)NCC2(C)CCCC3(C)c4ccc(C(C)C)cc4CCC23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631528", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFTKPXOLBJFZOA-UHFFFAOYSA-N", "SMILES:Cn1cc(CCN2CCN(c3cnc(C(=O)Nc4cc(-c5cccs5)ccc4[N+](=O)[O-])cn3)CC2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHNRGAHSQSFAMS-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cnc(C(=O)Nc3cc(-c4cccs4)ccc3[N+](=O)[O-])cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL472296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVYFCSACADRIED-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)cc1)c1ncc(-c2ccc(O)cc2)nc1C(=O)c1ccc(O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL249295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PDJARQSWGDDFHH-PSWAGMNNSA-N", "SMILES:CN1CCN([C@H]2C[C@@H](c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn43)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHGSQFWAYVIYCN-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1cn(CCF)cn1)n1ccc2ncc(-c3cn[nH]c3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWSBCWMPDMUMPO-ONEGZZNKSA-N", "SMILES:COc1cc(OC)c(F)c(/C=C/c2cnc3c(n2)N(S(=O)(=O)c2cn(CCF)cn2)CC3)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAFYAKDYLFVBEZ-UHFFFAOYSA-N", "SMILES:Cc1nnc2c(Oc3ccc(NC(=O)C4=C(C(F)(F)F)C(c5ccc(Cl)cc5)C=C4)cc3F)nccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQLMRWLEKAGSLO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cccc(-c2cnc3cccnc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZYIETQKHAJJIK-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2cnc3cccnc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEVTUWWOBOHNRE-UHFFFAOYSA-N", "SMILES:Fc1cccc(-c2cnc3cccnc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHVNKWSPPZYUOY-UHFFFAOYSA-N", "SMILES:O=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC2(CO)NC3(CCN(c4ccncc4)CC3)CN12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBAQFVXBKCWKDJ-UHFFFAOYSA-N", "SMILES:CN1C2(CCN(c3ccncc3)CC2)CN2C(=O)CN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC21CO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3260480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLFHSOXJKHUDGA-UHFFFAOYSA-N", "SMILES:O=C(c1cc(-n2ccc3ccccc32)c(O)cc1O)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVXPGPGVNRZSOH-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(-n2ccc3ccccc32)c1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSIJGECRTRIUKW-UHFFFAOYSA-N", "SMILES:O=C(c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWLCJSWPFDHKGL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTHIOAHCGOEHAJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2ccc(F)cc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632194", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXCYHAAUHUGWPR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2cccc(F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGMMMXKCMZPQHY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3cccc(F)c3C2)c1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWGAOPJLHBNVDO-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3ccc(F)cc3C2)c1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPDYFQMFAYWNSC-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3ccc(F)cc3C2)c1)N1Cc2cccc(F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKVGYAOBWAFGIP-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3cccc(F)c3C2)c1)N1Cc2cccc(F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USBVHYMVJMHGAV-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2cccc(Cl)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOLQSAOEUWPBLG-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1)N1Cc2cccc(Br)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWKYUUXELZOGIT-UHFFFAOYSA-N", "SMILES:Cc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccccc4C3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTCYWRXCWTWXKD-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccccc4C3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCVDRZVVAKYIO-UHFFFAOYSA-N", "SMILES:CCOc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccccc4C3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMBGLFJTKANOKK-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4cccc(F)c4C3)ccc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPNMCQODNKZJSB-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4ccccc4C3)ccc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYDVNGWXUXBMU-UHFFFAOYSA-N", "SMILES:CN(C)CCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4cccc(F)c4C3)ccc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJYOLFEKCMESC-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccc(OCCN(C)C)cc4C3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SURLQFZSKYXYSG-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4ccccc4C3)ccc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQQFZYBBJPQLHT-UHFFFAOYSA-N", "SMILES:CN(C)CCCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4cccc(F)c4C3)ccc1O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STYCKXLVQBVRNZ-UHFFFAOYSA-N", "SMILES:COc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccc(OCCCN(C)C)cc4C3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIMIHGXWXWMJBI-UHFFFAOYSA-O", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3ccc(OCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3C2)c1)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYEUEQMJHPMJBB-UHFFFAOYSA-O", "SMILES:O=C(c1ccc(O)c(C(=O)N2Cc3ccc(OCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3C2)c1)N1Cc2cccc(F)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVUVYFMEWGOIBY-UHFFFAOYSA-O", "SMILES:COc1cccc2c1CN(C(=O)c1ccc(O)c(C(=O)N3Cc4ccc(OCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)cc4C3)c1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4802112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUJLFPWRFHSNE-FEHIUCOBSA-O", "SMILES:CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1229093", "category": ["biolink:ChemicalEntity"], "name": "MITOQUINONE CATION", "xref": ["InChIKey:OIIMUKXVVLRCAF-UHFFFAOYSA-N", "SMILES:COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O"], "synonym": ["Mitoquinone", "Mitoquinone cation", "Mitoquinone ion"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIXQKSSRNWLDNQ-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccs2)ccc1NC(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGQPGCGYMMUTSA-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(F)cc2)ccc1NC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAQSXJCBXLFGKM-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(F)cc2)ccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHWGIQHHJHYCMY-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(Cl)cc2)ccc1NC(=O)Nc1ccccc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDILJTVEHROERM-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(Cl)cc2)ccc1NC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJPDXQPYCIEBDO-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(Cl)cc2)ccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHEXZFRNIHDPAK-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(NC(=O)Nc3ccccc3S(N)(=O)=O)c(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDZTYDDBHMPKTJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(NC(=O)Nc3cccc(S(N)(=O)=O)c3)c(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLVKSFOMZRMEE-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHXREVPNEMVHMB-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccs2)ccc1NC(=O)Nc1ccccc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXDVWADJMVMKPC-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccs2)ccc1NC(=O)Nc1cccc(S(N)(=O)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSULIIOEENHBAD-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cccs2)ccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZHKXIUXUJGUFK-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(F)cc2)ccc1NC(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYRJRRNDMHRCTI-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(Cl)cc2)ccc1NC(=O)NCCc1ccc(S(N)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWFQXJDPUXLOOD-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccc(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQFVFKPDFKRNAT-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(F)cc2)ccc1NC(=O)Nc1ccccc1S(N)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTRLLFQKXBRYKJ-BJUCTQDSSA-M", "SMILES:Nc1nc2c(ncn2[C@H]2C=C[C@@](O)(CP(=O)([O-])O)C2)c(=O)[nH]1.[Na+]"]}
{"name": "IMP-specific 5'-nucleotidase 1", "xref": ["CHEMBL.TARGET:CHEMBL6066185"], "id": "UniProtKB:A0A144A134", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:36329"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPCSYAHTGDEYMF-BJUCTQDSSA-M", "SMILES:Nc1nc2c(ncn2[C@H]2CC[C@@](O)(CP(=O)([O-])O)C2)c(=O)[nH]1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWYOGUUFYJRJF-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(C)c(O)c(Cc2[nH]c3ccc(-c4c5ccccc5cc5ccccc45)cc3c2Cc2c(O)c(C)cc(C(C)=O)c2O)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTQPJUABLLYKMX-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(COc2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVDODQRBRPWLM-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(-c2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTWZAADXEGFJGI-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(N(CC(C)C)S(=O)(=O)c3c(Cl)cccc3Cl)cc2)sc1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPXMIIADFRZAMT-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(-c2ccc(CC(=O)O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIKOUWNRGBKGJM-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(-c2ccc(CCC(=O)O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFTUISBHSROJNM-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(-c2ccc(OCC(=O)O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRHZDVWFLPAECO-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(-c2ccc(OCC(=O)O)c(F)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYPLOLMNVWYUKA-UHFFFAOYSA-N", "SMILES:CC(C)CN(c1ccc(-c2ccc(OC(C)C(=O)O)c(F)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUUQEYWJNFBFOG-UHFFFAOYSA-N", "SMILES:CC(C)CN(C(=O)c1c(Cl)cccc1Cl)c1ccc(-c2ccc(OCC(=O)O)c(F)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMSOPYLAUMUWLQ-UHFFFAOYSA-N", "SMILES:O=C(O)COc1ccc(-c2ccc(N(CC3CC3)S(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLOFOTRUTYUWBC-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWERQIYIOYWEDH-UHFFFAOYSA-N", "SMILES:COc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NYUUSFKLFGIKMN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC(F)F)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDFHPOIAMQMJFY-UHFFFAOYSA-N", "SMILES:CCOc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXGDLCYXJVPIPP-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGKOHZOWUGQIK-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CC3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHXQFMEHLZGDF-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OCC3CC3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQIZFQHCXBZAFA-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CCC3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDOXCPQBPLVBJD-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CCCC3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMLYLDYFOBSOTG-UHFFFAOYSA-N", "SMILES:CCOc1nc2c(cc1C(=O)Nc1cccc(-c3ccn(C)n3)n1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCZXAMSXSPCPIM-UHFFFAOYSA-N", "SMILES:CCOc1nc2c(cc1C(=O)Nc1cccc(-c3ccnn3C)n1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKAQVQQJFLIWTJ-UHFFFAOYSA-N", "SMILES:CCOc1nc2c(cc1C(=O)Nc1cnn3cccnc13)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKKKFWSWDFUKDF-UHFFFAOYSA-N", "SMILES:CCOc1nc2c(cc1C(=O)Nc1cccc(OC)n1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVTHOLXZKQBGHA-UHFFFAOYSA-N", "SMILES:CCOc1nc2c(cc1C(=O)Nc1cccc(C)n1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INLSNKUEELFXOM-UHFFFAOYSA-N", "SMILES:CCOc1nc2c(cc1C(=O)Nc1cccc(C(F)F)n1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCAATEJJUQTATG-UHFFFAOYSA-N", "SMILES:CCOc1nc2c(cc1C(=O)Nc1cccc(C(F)(F)F)n1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGOUVPGFWYMKR-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OCCO)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDOZBWLPZGIBW-UHFFFAOYSA-N", "SMILES:CNCCOc1nc2c(cc1C(=O)Nc1cccc(-c3cnn(C)c3)n1)CC(C)(C)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWGDWVGKOHBFJJ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3COC3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLKVJQPKVBDECV-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CNC3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RENUOGZBYLWEEM-UHFFFAOYSA-N", "SMILES:CN1CC(Oc2nc3c(cc2C(=O)Nc2cccc(-c4cnn(C)c4)n2)CC(C)(C)O3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633185", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVTUVKVZSYFBE-IYBDPMFKSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3C[C@@H](O)C3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATVTUVKVZSYFBE-WKILWMFISA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3C[C@H](O)C3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FODUMLNHEWJUTB-MRXNPFEDSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@@H]3CCOC3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDRQRDBAKJGTJI-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CCNC3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBOWVCHTIUOQZ-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2nc3c(cc2C(=O)Nc2cccc(-c4cnn(C)c4)n2)CC(C)(C)O3)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXYPQBAOXXUKQ-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3OC3CCOCC3)OC(C)(C)C4)n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQTNNKCFDHODAE-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(-c2nc(CSc3ccccc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL585939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSHFAZBXGXHGQO-BTDFZRAWSA-N", "SMILES:CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4105617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWDXMPXINALNFB-UHFFFAOYSA-N", "SMILES:O=C(NO)c1cccc(-c2csc(CSc3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUEDKFNMSFNCII-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOZZEXLWFHDEHH-PKNBQFBNSA-N", "SMILES:COc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1/C=C/C(=O)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632078", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUDOUVOSYKXTMX-WEVVVXLNSA-N", "SMILES:COc1ccc(/C=C/C(=O)NO)c(-c2ccc(Br)cc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUMCIJBZDIUPT-HXUWFJFHSA-N", "SMILES:O=C(NO)[C@@H](Cc1ccccc1)n1nnc(-c2ccccc2)c1C#CC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFWNERIMAUEHNN-MRXNPFEDSA-N", "SMILES:N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBGNIZQIHHGDX-IJWZMBIRSA-N", "SMILES:O=C1CC/C=C/CCC(=O)N(Cc2cccc(/C=N/NC(=O)c3cccc(C(=O)NO)c3)c2)C[C@@H](c2ccccc2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMTCWDQOSDUWEX-MHWRWJLKSA-N", "SMILES:O=C(NO)c1cccc(C(=O)N/N=C/c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1771485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNPSDGQOVMWWIJ-XDHOZWIPSA-N", "SMILES:C#CCOc1ccc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL156887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKQVYJOPUCLLCD-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(-c2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1812334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NASCAWUSOSJBJH-GOSISDBHSA-N", "SMILES:N[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL98245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRPSQQUYPMFERG-LFYBBSHMSA-N", "SMILES:O=C(/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGZLQOSUQIMKV-CRBXJKDESA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCCCCC(=O)Nc1ccc(NC(=O)CCCCCCC(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYGDOPARKDXLDH-ZNZIZOMTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)c1cccc(C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDXDPRNADIWJKK-USZFVNFHSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCC(=O)Nc1cccc(C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCJSMALAWJPPLE-VIFPVBQESA-N", "SMILES:O=C1CN[C@@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCJSMALAWJPPLE-SECBINFHSA-N", "SMILES:O=C1CN[C@H](Cc2ccccc2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633265", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHMOLFRDZFBDNV-YFKPBYRVSA-N", "SMILES:CSCC[C@@H]1NCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHMOLFRDZFBDNV-RXMQYKEDSA-N", "SMILES:CSCC[C@H]1NCC(=O)NC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZZJVUINDAWJS-LLVKDONJSA-N", "SMILES:O=C1CN[C@H](Cc2cc3ccccc3[nH]2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJZZJVUINDAWJS-NSHDSACASA-N", "SMILES:O=C1CN[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIDQDDOQVCVQHV-QHCPKHFHSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFXYIRXEPDLYGC-INIZCTEOSA-N", "SMILES:CCCCCCNC(=O)[C@H](CCC(=O)O)NC(=O)Cc1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXOUWADLQOKBPM-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWUURSLNSBVOBP-INIZCTEOSA-N", "SMILES:CCCCCCNC(=O)[C@H](CCC(=O)O)NC(=O)Cc1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNGUQXBYUDPIDK-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNBDZCBXWSUAPE-INIZCTEOSA-N", "SMILES:CCCCCCNC(=O)[C@H](CCC(=O)O)NC(=O)Cc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTHTWJBHCRYCCP-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVHIWIPSOYOYLQ-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCc1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBFKSNPUAUVWTM-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCc1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMIOQIPNCWAEOK-KRWDZBQOSA-N", "SMILES:O=C(O)CC[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUYCAWWSXLDEFW-XAZZYMPDSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nc3cc4ccccc4cc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQWHKZFLRJPUMS-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(CC(O)COc3ncnc4ccccc34)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNSLCYTWPQLIRB-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccsc3C(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVJQMNOHJPUFKJ-UHFFFAOYSA-N", "SMILES:CCCNC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNZBFXVLHUNRJP-DPNNOFEESA-N", "SMILES:O=C(Cn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL440727", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHXOJKOXEKXDSQ-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHZCSNTVCRCIKT-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cc(O)c(F)cc3F)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAQLCNBPWYBOJT-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(-c2ccc3c(=O)[nH]cnc3c2)cc1)Nc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIESRSCDDHHNLH-UHFFFAOYSA-N", "SMILES:CCn1c(SCCCN2C(=O)c3ccccc3C2=O)nc2cc3ccccc3cc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQSQGRGQBZVPBS-UHFFFAOYSA-N", "SMILES:COc1cc2nc(-c3ccccc3)n(-c3nnc(-c4ccc(Cl)cc4)s3)c(=O)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDHGEDFLFDRAC-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Nc2ncnc3cc(NC(=O)Nc4ccccc4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUAUIYQIUYKHOZ-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(COc2ncnc3ccc([N+](=O)[O-])cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJGGZWQPZUWHPE-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccc(-c4noc(Cc5cc6ccccc6[nH]5)n4)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLEGFYJJSVOEBI-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3ccncc3C(=O)NCc3cccs3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSGVEATXZLQCQR-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Oc2nc(Cl)nc3ccccc23)cc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1761929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNEAOQOOUVUUJR-UHFFFAOYSA-N", "SMILES:COC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1256851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJAWGNIQEOFURP-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL444449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KINMYBBFQRSVLL-UHFFFAOYSA-N", "SMILES:O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL278213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJSMFDVWSTTYQJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL16804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMWLYWBYFPVAA-IHRKKFBRSA-N", "SMILES:CCCNC(=O)O[C@H]1CC[C@@](CNC(=O)c2ccccc2OC)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL279606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYMWLYWBYFPVAA-WBANQOEISA-N", "SMILES:CCCNC(=O)O[C@H]1CC[C@](CNC(=O)c2ccccc2OC)(c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXPJEPYVNRRTJS-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)NCC1(c2ccsc2)CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLGPEIMOONDSLB-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)NCC1(c2ccsc2)CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYMYIZJUPAVRLX-UHFFFAOYSA-N", "SMILES:O=C1CCC(CNC(=O)c2ccoc2)(c2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVGKZZYKUGOSHS-UHFFFAOYSA-N", "SMILES:COc1cc(C)ccc1C(=O)NCC1(c2cccs2)CCC(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALAMDQDAMVBXMK-QUWSVYMGSA-N", "SMILES:COc1ccccc1C(=O)NC[C@]1(c2cccs2)CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMHXLTLXQHNHIU-GGYDESQDSA-N", "SMILES:CNC(=O)O[C@H]1CC[C@@](CNC(=O)c2ccccc2OC)(c2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMHXLTLXQHNHIU-WEHONNDLSA-N", "SMILES:CNC(=O)O[C@H]1CC[C@](CNC(=O)c2ccccc2OC)(c2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWPHCLUGCPXDHL-XZMJRDFISA-N", "SMILES:COCCCNC(=O)O[C@H]1CC[C@](CNC(=O)c2ccccc2OC)(c2cccs2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRJMHSFDVDJWOT-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)NCC1(c2cccs2)CCC(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIYYJOCKSMTIP-SAZUREKKSA-N", "SMILES:O=C(NC[C@]1(c2cccs2)CC[C@H](O)CC1)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUTBTEXBDYQKDY-DHFPXDALSA-N", "SMILES:COc1ccc(F)cc1C(=O)NC[C@]1(c2cccs2)CC[C@@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUTBTEXBDYQKDY-QUWSVYMGSA-N", "SMILES:COc1ccc(F)cc1C(=O)NC[C@]1(c2cccs2)CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUHOHYPCQXOBM-GLRZTSSQSA-N", "SMILES:COc1ccccc1C(=O)NC[C@]1(c2ccsc2)CC[C@@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSUHOHYPCQXOBM-RHDGDCLCSA-N", "SMILES:COc1ccccc1C(=O)NC[C@]1(c2ccsc2)CC[C@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQSFBWLDFPCKC-QRTMHTFLSA-N", "SMILES:CCCNC(=O)O[C@H]1CC[C@@](CNC(=O)c2ccccc2OC)(c2ccsc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIXWIXMXBOZMQ-NBEIKUQISA-N", "SMILES:CNC(=O)O[C@H]1CC[C@@](CNC(=O)c2ccccc2OC)(c2ccsc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAIXWIXMXBOZMQ-OQIWPSSASA-N", "SMILES:CNC(=O)O[C@H]1CC[C@](CNC(=O)c2ccccc2OC)(c2ccsc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLETWQYGJROPOC-OGAOHHHESA-N", "SMILES:COCCCNC(=O)O[C@H]1CC[C@](CNC(=O)c2ccccc2OC)(c2ccsc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVPJCIDBNKSRRA-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)NCC1(c2ccsc2)CCC(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXZWCLZZCAIWKW-QRTMHTFLSA-N", "SMILES:C=CCNC(=O)O[C@H]1CC[C@@](CNC(=O)c2ccccc2OC)(c2ccsc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSACFJLZUCZTHG-UHFFFAOYSA-N", "SMILES:COc1ccc(C)cc1C(=O)NCC1(c2cccs2)CCC(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANIOAZGMLZMRCE-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1C(=O)NCC1(c2cccs2)CCC(=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALAMDQDAMVBXMK-DHFPXDALSA-N", "SMILES:COc1ccccc1C(=O)NC[C@]1(c2cccs2)CC[C@@H](O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFIYYJOCKSMTIP-AKAXFMLLSA-N", "SMILES:O=C(NC[C@]1(c2cccs2)CC[C@@H](O)CC1)c1ccoc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWQSFBWLDFPCKC-RXAXNXDRSA-N", "SMILES:CCCNC(=O)O[C@H]1CC[C@](CNC(=O)c2ccccc2OC)(c2ccsc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJAPWHBQDZKMO-RICDFVPRSA-N", "SMILES:COc1ccccc1C(=O)NC[C@]1(c2ccsc2)CC[C@@H](N)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCJAPWHBQDZKMO-MOLHOISOSA-N", "SMILES:COc1ccccc1C(=O)NC[C@]1(c2ccsc2)CC[C@H](N)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL498270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFUQFVFYYBHBT-UHFFFAOYSA-N", "SMILES:Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5632019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROHZKUZGXXECSC-UHFFFAOYSA-N", "SMILES:Cn1c(-c2ccc(OC(F)(F)F)cc2)nc2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1611121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKWVNTQJXOEFFY-UHFFFAOYSA-N", "SMILES:Sc1nc(-c2ccc(Br)cc2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHLJOUARUAPEHT-UHFFFAOYSA-N", "SMILES:CSc1nc(-c2cccc(C)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631778", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBUKTDQJZDAWAW-UHFFFAOYSA-N", "SMILES:COc1nc(-c2cccc(Cl)c2)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGYAVGGFXVBCHT-UHFFFAOYSA-N", "SMILES:Cc1cccc(-c2nc3ccccc3c(=S)[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSSDJFGXQQYFKG-UHFFFAOYSA-N", "SMILES:FC(F)(F)Oc1ccc(-c2nc3ccccc3c(=S)[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULKSSXOMKDEKPC-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc2cc(O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL62083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSILBMSORKFRTB-UHFFFAOYSA-N", "SMILES:Nc1nccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXVQDLUVZXSAMM-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQIYWLSRRDXYEC-UHFFFAOYSA-N", "SMILES:Nc1nccc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMGOUJWXBMXPGK-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc2cc(OC(=O)c3cc4cc(CCl)ccc4oc3=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGBKESBUYUNPNF-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc2cc(OC(=O)c3cc4cc(Br)ccc4oc3=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOCHWXVTCJCGRE-UHFFFAOYSA-N", "SMILES:Cc1ccc2oc(=O)c(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYYKPXJZUCESPN-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc2cc(OC(=O)c3cc4cc(CO)ccc4oc3=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XMCBAJORGVQLDN-UHFFFAOYSA-N", "SMILES:COc1ccc2oc(=O)c(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYDAOLARMWSMRJ-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGRQAUSSUKTSHC-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)Oc3ccc4c(N)nccc4c3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYHAFKBWNBYQST-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)c(=O)oc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MRKFVLTUFONGMP-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)Oc3ccc4c(N)nccc4c3)c(=O)oc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWNJXBYOZLFQQB-UHFFFAOYSA-N", "SMILES:N=C(N)c1ccc2cc(OC(=O)c3cc4ccccc4sc3=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEKFTVSPDCCDQG-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)c(=O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXXPNVFLXYWREI-UHFFFAOYSA-N", "SMILES:COc1cc2cc(C(=O)Oc3ccc4c(N)nccc4c3)c(=O)sc2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYFQTZSQRZCAGR-UHFFFAOYSA-N", "SMILES:Cn1c(=N)sc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL14047", "category": ["biolink:ChemicalEntity"], "name": "PHENYLGUANIDINE", "xref": ["InChIKey:QRJZGVVKGFIGLI-UHFFFAOYSA-N", "SMILES:N=C(N)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGTQIAXGOGIOPA-UHFFFAOYSA-N", "SMILES:O=C1NC2(CCCCC2)Oc2cc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWAMELDQAJHDBI-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2ccc(OS(=O)(=O)c3cccc4ccccc34)cc2OC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDCDFXNTJYTRNH-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(C)(C)N(Cc2ccc(F)cc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSNGJDCNFDZRFE-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)N(CCCCC#N)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEUSWGMEURWBAE-UHFFFAOYSA-N", "SMILES:Cn1ccc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)N(Cc2ccc(C#N)cc2)C3=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBCSLRKNSRBEMJ-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(OS(=O)(=O)c3cccs3)cc2OC2(CCCCC2)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTJFWAIKHAVXFO-UHFFFAOYSA-N", "SMILES:N#Cc1cccc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)N(Cc2ccccc2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNWBLKSDRGRRNA-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)N(Cc2ccccc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSWPVYJGLVXRV-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)N(Cc2ccccc2)C3=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEZDRTKXUWFRIW-UHFFFAOYSA-N", "SMILES:Cn1cnc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)N(Cc2ccccc2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVTRCVYXRYQXFC-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(OS(=O)(=O)Cc3ccccc3)cc2OC2(CCCCC2)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMCQJZCUXSGZTJ-UHFFFAOYSA-N", "SMILES:COc1cccc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)N(Cc2ccccc2)C3=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCCKLSUINLSXNP-UHFFFAOYSA-N", "SMILES:O=C1c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2OC2(CCOCC2)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL306764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJSBBBWQTLXQEN-UHFFFAOYSA-N", "SMILES:CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5631870", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBCIJAISGBUDBU-FZSQAPILSA-N", "SMILES:CC(C)C[C@@H]([C@@H](O)C[C@H](O)CC[C@@H](C)C[C@H](C)C[C@@H](C)CO)[C@@H](O)c1cc(O)cc(O)c1"]}
{"name": "L-2,3-diaminopropanoate--citrate ligase", "xref": ["CHEMBL.TARGET:CHEMBL6066829"], "id": "UniProtKB:Q2G1M9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:93061"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJZMDKLVDIHGA-IUNPUCBWSA-N", "SMILES:CCC(=O)[C@H](C)C[C@H](C)C[C@H](C)CC[C@@H](O)C[C@@H](O)[C@@H](CC(C)C)[C@@H](O)c1cc(O)cc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5633464", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPYOSPNFHXXCM-XDUYTMKBSA-N", "SMILES:CC(C)C[C@H]([C@H](O)C[C@H](O)C#CCCCCCCOCc1ccccc1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633990", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KMIQQZLLFUQPMX-SFGCCMDTSA-N", "SMILES:CC(C)C[C@H]([C@H](O)CC(O)C#C[C@@H](C)C[C@@H](C)C[C@@H](C)CO)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIORGDFBMQIBGF-JLFRGFGUSA-N", "SMILES:CC(C)C[C@@H]([C@H](O)C[C@H](O)C#C[C@@H](C)C[C@H](C)C[C@@H](C)COCc1ccccc1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIORGDFBMQIBGF-ZAHLDMNLSA-N", "SMILES:CC(C)C[C@H]([C@H](O)C[C@H](O)C#C[C@@H](C)C[C@H](C)C[C@@H](C)COCc1ccccc1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIORGDFBMQIBGF-OJPFHGHTSA-N", "SMILES:CC(C)C[C@H]([C@H](O)C[C@H](O)C#C[C@@H](C)C[C@@H](C)C[C@@H](C)COCc1ccccc1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSQTVHMCVJSBMV-WNPNAGJESA-N", "SMILES:CC(C)C[C@@H]([C@H](O)CCCC[C@@H](C)C[C@H](C)C[C@@H](C)CO)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSSKDOHOLHBGID-YHDOLVMVSA-N", "SMILES:CCC(=O)[C@@H](C)C[C@@H](C)C[C@@H](C)CCCC[C@@H](O)[C@@H](CC(C)C)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLHOLJAMVOFOLN-XIIJWGSISA-N", "SMILES:CC(C)C[C@@H]([C@H](O)C[C@H](O)CCCCCCCCNCc1ccccc1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPYSJTQZIXVDLU-PKCIZKOFSA-N", "SMILES:CCC(O)[C@H](C)C[C@H](C)C[C@H](C)CC[C@@H](O)C[C@@H](O)[C@@H](CC(C)C)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQLSCRPXUOONIJ-NJYVYQBISA-N", "SMILES:CC(C)C[C@H]([C@H](O)CCNc1ccccc1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UROBNPUICOKNSV-VSKRKVRLSA-N", "SMILES:CC(C)C[C@H]([C@H](O)CCNCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633462", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFNUFUFETDLOKM-KFWWJZLASA-N", "SMILES:CC(C)C[C@H]([C@H](O)CCN)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXCCFUAWEDBZLW-VSKRKVRLSA-N", "SMILES:CC(C)C[C@H]([C@H](O)CCNCc1ccccc1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOJADCHQLDCCK-OAGGEKHMSA-N", "SMILES:C=CC[C@@H](O)[C@@H](CC(C)C)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFTUFZBPALQEGC-GCRAMTHASA-N", "SMILES:C[C@@H](COCc1ccccc1)C[C@H](C)C[C@H](C)C#CC(O)C[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPYOSPNFHXXCM-XIIJWGSISA-N", "SMILES:CC(C)C[C@@H]([C@H](O)C[C@H](O)C#CCCCCCCOCc1ccccc1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKDBRCZUUFPEG-QIJUGHKUSA-N", "SMILES:Cc1ccc(NCC[C@@H](O)[C@@H](CC(C)C)[C@@H](O)c2cc(O)cc(O)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWSVSUDYBDANH-NJYVYQBISA-N", "SMILES:CC(C)C[C@H]([C@H](O)CCNc1cccc(C(F)(F)F)c1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKDBRCZUUFPEG-COPCDDAFSA-N", "SMILES:Cc1ccc(NCC[C@H](O)[C@@H](CC(C)C)[C@@H](O)c2cc(O)cc(O)c2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5280691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKJZMDKLVDIHGA-UDSOGJRRSA-N", "SMILES:CCC(=O)[C@@H](C)C[C@@H](C)C[C@@H](C)CC[C@H](O)C[C@H](O)[C@H](CC(C)C)[C@H](O)c1cc(O)cc(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5632562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXRQPCUYAQMUQZ-LMMKCTJWSA-N", "SMILES:CC(C)C[C@H]([C@H](O)CCNc1ccn(C)n1)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDEXEDQSKGBEMS-UIFIKXQLSA-N", "SMILES:CC(C)C[C@H]([C@H](O)CCNc1ccc(Cl)cc1Cl)[C@@H](O)c1cc(O)cc(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSHOABCBRXNTNA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5ncc(Cl)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBCLGDDHDRFWSG-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5ncc(Br)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQJXXJVCWNCBRP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5ncc(I)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUEZVIHSLZBOGW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5ncc(C(F)(F)F)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAFQPIHDQQKTCQ-UHFFFAOYSA-N", "SMILES:CCc1cnc(NC2CCN(C(=O)c3ccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZQAUZPLXRJKMI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(CN4CCC(Nc5ncc(Cl)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOOVTTPIAWFSHU-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(CN4CCC(Nc5ncc(Br)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQYPHHDBRXAAMW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(CN4CCC(Nc5ncc(I)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRKQEISQLROZNS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(S(=O)(=O)N4CCC(Nc5ncc(Br)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBFXOTSMBHEGGC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(S(=O)(=O)N4CCC(Nc5ncc(C(F)(F)F)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVVYIXNVAPSYSE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ncc(Cl)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJCFYLHZMCTQJH-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ncc(Br)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQUQBABVYFSBGV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ncc(I)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPODCQNXLPCBS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ncc(C(F)(F)F)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQNPIGBTKCDDQR-UHFFFAOYSA-N", "SMILES:CCc1cnc(NC2CCN(C(=O)c3cccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKXHZXRVCSUURY-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCN(c5ncc(Br)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNZAEDAPWZFJCL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCN(c5ncc(I)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANVZBIOSTOHQBW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCN(c5ncc(C(F)(F)F)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNLXERWUGZSORR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCN(c5ncc(Cl)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHGDOOQAAOLBJZ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCN(c5ncc(Br)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUUJMVVJSLLQLV-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCN(c5ncc(I)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWCROJLRTCYMTA-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCN(c5ncc(C(F)(F)F)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMGLFMFEHGGEEP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKCLLTJAACTXDL-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5ncccn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYWBORPMNRVVQO-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5ncc(F)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAZIMXSBUEYNP-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NC2CCN(C(=O)c3ccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXWKVMVOKPJHEP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5ncc([N+](=O)[O-])cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXKKLFOOQIYBEW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5nccc(C(F)(F)F)n5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSJXPAIFOLXND-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC2CCN(C(=O)c3ccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQAYQJXFSIKYPV-UHFFFAOYSA-N", "SMILES:COc1cnc(NC2CCN(C(=O)c3ccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBWZHXUNBQBJJE-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5ccc(Br)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HURAMZJJIAWXAC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5ccc(I)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPDPZKDQQJBSLT-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCC(Nc5ccc(C(F)(F)F)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633276", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEANVFGKGAXKQN-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(NC2CCN(C(=O)c3ccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKTNOKOTONSIHR-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(CN4CCC(Nc5ncc(F)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGVCHHWPFZGIHK-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(CN4CCC(Nc5ncc(C(F)(F)F)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEIOKMSIBSNTD-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ncccn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXUKBPFPHAMAC-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ncc(F)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTUVXCGYQUGPLY-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(NC2CCN(C(=O)c3cccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKWKGVUPBQOARN-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ncc([N+](=O)[O-])cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGCGYLJZCRDLNR-UHFFFAOYSA-N", "SMILES:Cc1cnc(NC2CCN(C(=O)c3cccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZQDPNBBXJFFPY-UHFFFAOYSA-N", "SMILES:COc1cnc(NC2CCN(C(=O)c3cccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGQLQOUOZWDSHO-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ccc(Br)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTNUQQBANLPYEX-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ccc(I)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632217", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BAZBXFRZKCITEI-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ccc(C(F)(F)F)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRVWURYJQSVSSB-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCN(c5ncc(F)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBAFWBYYFCYPJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCN(c5ncc(Cl)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGKKRYXEZOPPOJ-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(N2CCN(C(=O)c3ccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)cc3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPGDQGNUTXSRS-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHPPKNZBKPCORQ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCN(c5ncc(F)cn5)CC4)c3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIHXCGPKFTWEKL-UHFFFAOYSA-N", "SMILES:N#Cc1cnc(N2CCN(C(=O)c3cccc(C(=O)Nc4nc5c(C(N)=O)cccc5[nH]4)c3)CC2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJLGVXCTSMTDEP-JBACZVJFSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMHCOXVHKWVKCT-JBACZVJFSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)NC2CC2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARLUDPKZXVEVAR-XWGVYQGASA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)NC2CCCCC2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633294", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHJKTTGUENMWGB-IHPCNDPISA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)N(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEOFBAXNJMYGHH-XWGVYQGASA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)Nc2ccccc2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWUGBZRRCVAIIH-BVSLBCMMSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)N2CCCC2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPARXYKXWOSLSL-BVSLBCMMSA-N", "SMILES:CCN(CC)C(=O)CC[C@@H]1NC(=O)[C@@H]2Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTPUVICBEMOLDT-BVSLBCMMSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)N2CCOCC2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWRHYEPPJBQIHS-PMVMPFDFSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)N2CCCCC2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHNSERLXDFDZPI-HVCNVCAESA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)N(C)C2CCCCC2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPXRARJFOXSMA-JBACZVJFSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)NC(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAZODTIBNZKJKB-PMVMPFDFSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCCCNC(=O)C(C)(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633261", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOROXMZGSBOZMA-RNXOBYDBSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCCCNC(=O)C2CCCCC2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKYBTOWFNOOGIZ-RNXOBYDBSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCCCNC(=O)c2ccccc2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRVWBVFPBLVJNB-HVCNVCAESA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCCCNC(=O)C2CCCC2)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYDSRWIJCGZXGN-PMVMPFDFSA-N", "SMILES:COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCCCNC(=O)C(C)C)NC(=O)[C@@H]1C3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUTWXUJTLHGWPF-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(C(C)C(=O)NCc2ccc(-n3[se]c4ccccc4c3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SODORXACXAWEIV-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1ccc(-n2[se]c3ccccc3c2=O)cc1)c1ccc(-c2ccccc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUCJJOQBKPLSDU-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)NCc2ccc(-n3[se]c4ccccc4c3=O)cc2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DECRVLLCMSJFLI-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCc1ccc(-n2[se]c3ccccc3c2=O)cc1)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPCKVYUHWODLQW-RHANQZHGSA-N", "SMILES:CC1=C(CC(=O)NCc2ccc(-n3[se]c4ccccc4c3=O)cc2)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCFSORWDRCNYQE-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(C)C(=O)NCc3ccc(-n4[se]c5ccccc5c4=O)cc3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDNKXNDTDMJLAX-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccc(-n2[se]c3ccccc3c2=O)cc1)c1ccccc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRPUGLMKYMECCE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)NCc1ccc(-n3[se]c4ccccc4c3=O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAFCVVPDPOSTSD-UHFFFAOYSA-N", "SMILES:CCC1(CC)OCCc2c1[nH]c1c(CC(=O)NCc3ccc(-n4[se]c5ccccc5c4=O)cc3)cccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTNGXACANTXCOY-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccccc1C(=O)NCc1ccc(-n2[se]c3ccccc3c2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRZGEJFBDMEQDG-UHFFFAOYSA-N", "SMILES:C=C(C(=O)NCCn1[se]c2ccccc2c1=O)c1ccc(CC(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTGWGYDBMLRLRI-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCCn1[se]c2ccccc2c1=O)c1ccc(-c2ccccc2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSQTWBQGQAIGY-UHFFFAOYSA-N", "SMILES:Cc1cccc(Nc2ccccc2C(=O)NCCn2[se]c3ccccc3c2=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRQHHKKUAXPSU-UHFFFAOYSA-N", "SMILES:CC(C(=O)NCCn1[se]c2ccccc2c1=O)c1cccc(C(=O)c2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KALRJFTYXSHWTN-UHFFFAOYSA-N", "SMILES:CC(=O)Oc1ccccc1C(=O)NCCn1[se]c2ccccc2c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKRPWIDYNAIEPE-IWIPYMOSSA-N", "SMILES:CC1=C(CC(=O)NCCn2[se]c3ccccc3c2=O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGFZEYLVGZVEMK-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(C)C(=O)NCCn3[se]c4ccccc4c3=O)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODPOGBVIHUCJL-UHFFFAOYSA-N", "SMILES:O=C(NCCn1[se]c2ccccc2c1=O)c1ccccc1Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAMNSJZMZIMIIX-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(CC(=O)NCCn1[se]c3ccccc3c1=O)c(C)n2C(=O)c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHJPHUFUJGFFSH-XYXHBKGXSA-N", "SMILES:C=C(Cl)C(=O)N(c1ccc(-c2ccccc2)cc1)C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOIHHGXFPLLSAF-XYXHBKGXSA-N", "SMILES:C=C(Br)C(=O)N(c1ccc(-c2ccccc2)cc1)C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITMHJFWFTCEVRZ-XYXHBKGXSA-N", "SMILES:C=C(C(=O)N(c1ccc(-c2ccccc2)cc1)C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633344", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMVRKRVRWIJCMA-WNBCEXPJSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)/C=C/C(=O)O)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHRYBFGXRROFFT-WTHGOZCHSA-N", "SMILES:COC(=O)/C=C/C(=O)N(c1ccc(-c2ccccc2)cc1)C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPZXNZDMAPZSGH-NTLASXOJSA-N", "SMILES:CC(=O)/C=C/C(=O)N(c1ccc(-c2ccccc2)cc1)C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMYIQCZRIXSAPL-MXCXMMFYSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)/C=C/c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633125", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZCACNUXNXZZCO-DWACAAAGSA-N", "SMILES:C=CS(=O)(=O)N(c1ccc(-c2ccccc2)cc1)[C@H](C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFVGZQDJMLDBKD-IHOKFDBFSA-N", "SMILES:CC#CC(=O)N(c1ccc(-c2ccccc2)cc1)C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STZSMNMPHCLEPA-ZTOMLWHTSA-N", "SMILES:C#CC(=O)N(c1ccc(-c2ccccc2)cc1)[C@H](C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCGBRRFWFQLHRV-ACXKHFGCSA-N", "SMILES:CCC#CC(=O)N(c1ccc(-c2ccccc2)cc1)C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYXQTUSNDOTSJX-HKIGIVDHSA-N", "SMILES:CC(C)C#CC(=O)N(c1ccc(-c2ccccc2)cc1)C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCBIGHDEZLLIIQ-RUBXLXHKSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)C#CC1CC1)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHYPDBAMPIURIJ-HKIGIVDHSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)C#CC(C)(C)C)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFETWAJPYXCBCW-ACXKHFGCSA-N", "SMILES:C[C@H](NC(=O)C(c1cccnc1)N(C(=O)C#CC(C)(C)O)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJXIMBCSVYGDQH-YUDQIZAISA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)C#CCCl)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJXIMBCSVYGDQH-JHOBJCJYSA-N", "SMILES:C[C@H](NC(=O)[C@H](c1cccnc1)N(C(=O)C#CCCl)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZJYQJCFENQUAI-QXNWPYRLSA-N", "SMILES:C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)C#CCC#N)c1ccc(-c2ccccc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVLYKOIILGAUEH-RBQQCVMASA-N", "SMILES:CCC(=O)C(=O)N(c1ccc(-c2ccccc2)cc1)C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZGRROWMZSNIGX-IHOKFDBFSA-N", "SMILES:C#CCC(=O)N(c1ccc(-c2ccccc2)cc1)C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MROQGLGOWKQQAX-UHFFFAOYSA-N", "SMILES:[N-]=[N+]=NCc1ccc(Oc2ccccc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKCWZXZDWQOJJK-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRIHXCXHNUJXDW-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633213", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFCYCEJQCAFMPG-UHFFFAOYSA-N", "SMILES:O=c1cc(OCc2cn(Cc3ccc(Oc4ccccc4)c(O)c3)nn2)c2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERKRALJKKAABY-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2c(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)cc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYCONRDQVKDCGH-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(Cc2ccc(Oc3ccccc3)c(O)c2)nn1)c1cc2ccccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIMHCPSFGPHMTM-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc2cc(C(=O)NCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLMUSSJLRXXHLG-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(C(=O)NCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)c(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633283", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSYJGKPYWHMIQF-UHFFFAOYSA-N", "SMILES:COc1cccc2cc(C(=O)NCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)c(=O)oc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URTQQVDHQJWYML-UHFFFAOYSA-N", "SMILES:O=C(NCc1cn(Cc2ccc(Oc3ccccc3)c(O)c2)nn1)c1cc2cc(O)ccc2oc1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNMODSHQFNOZTM-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(NCc2cn(Cc3ccc(Oc4ccccc4)c(O)c3)nn2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLJHFUORNVKXEA-UHFFFAOYSA-N", "SMILES:CN(C)S(=O)(=O)c1ccc(NCc2cn(Cc3ccc(Oc4ccccc4)c(O)c3)nn2)c2nonc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYKLTBVLNKCRLO-UHFFFAOYSA-N", "SMILES:O=c1ccc2ccc(OCc3cnnn3Cc3ccc(Oc4ccccc4)c(O)c3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEYHZVDOEJDGLG-UHFFFAOYSA-N", "SMILES:Cc1cc(=O)oc2cc(OCc3cnnn3Cc3ccc(Oc4ccccc4)c(O)c3)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL308819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEHFVZKMAOKFTR-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc2ccc(=O)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1377940", "category": ["biolink:ChemicalEntity"], "name": "GIPARMEN", "xref": ["InChIKey:NTNZDKLXIBVSQQ-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc2c(C)cc(=O)oc2c1"], "synonym": ["Giparmen", "Giparmene", "Giparmeno"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5632246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYLDGIVHQDVOQU-UHFFFAOYSA-N", "SMILES:CCCCCCc1ccc(Oc2ccc(Cn3cc(CNC(=O)c4cc5ccc(N(CC)CC)cc5oc4=O)nn3)cc2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1472819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCYOZUJPOYDGRL-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(C2N=C(N)Nc3nc4ccccc4n32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633483", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFLCLMQFIWHNOP-UHFFFAOYSA-N", "SMILES:NC1=Nc2nc3ccccc3n2C(c2ccc(Cl)cc2Cl)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDSMMZLZVFAZGS-UHFFFAOYSA-N", "SMILES:NC1=Nc2nc3ccccc3n2C(c2ccc(Cl)c(Cl)c2)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYOJDZHOXPFXHV-UDWIEESQSA-N", "SMILES:CCCc1nnc2c3ccccc3c(N/N=C/c3ccc([N+](=O)[O-])cc3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBSAEFBMUZPTCS-WSDLNYQXSA-N", "SMILES:O=C(N/N=C/c1ccncc1)c1cccc2c(=O)c3ccccc3[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RURFTJVUUIVVFR-LRLNDGSOSA-N", "SMILES:COc1cc2c(cc1OCc1ccc(C(=O)Nc3ccccc3N)cc1)CC[C@@H]1[C@H]3CC[C@@H](O)[C@]3(C)CC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXTBVDQJIRSABZ-XIFFEERXSA-N", "SMILES:COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(NCc4ccc(C(=O)Nc5ccccc5N)cc4)ccc2N(C)[C@H]31"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVIQNGUEMPOZMW-YTTGMZPUSA-N", "SMILES:CN1c2ccc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIZHUDPBZOJZPE-YTTGMZPUSA-N", "SMILES:CN1c2ccc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CDARIYXAKAEWOZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CN(C(=O)Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2cc(OC)c(OC)c(OC)c2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YICAXVSOSRWAQW-UHFFFAOYSA-N", "SMILES:CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRLSAGKQYAORBC-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)Nc1ccc(NC(=O)c2cccnc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOAMEWDPCKZDGE-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3N)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBHVQSBNXFIZRT-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAEKUDSJACGENX-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISKXKUSTWAXYOE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5218660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXMOHINJKGQKDQ-IUDBTDONSA-N", "SMILES:CN1c2ccccc2C(=O)N2[C@H](C(=O)Nc3ccc(C(=O)Nc4ccccc4N)cc3)Cc3c([nH]c4ccccc34)[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CELIALHZILFHSH-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1CCC(=O)NCCCCCC(=O)Nc1ccccc1N)C(=O)C(=O)C(C(C)C)=C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVBPRGHNOXNJHJ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc(N3Cc4ccc(O)cc4OC3=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXBADXISIKSDCQ-UHFFFAOYSA-N", "SMILES:Clc1cc2c(Nc3ccc4scnc4c3)ncnc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSISVAQAFTARM-UHFFFAOYSA-N", "SMILES:C=Cc1cc2c(Nc3ccc4scnc4c3)ncnc2cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQYCILXOKJMTC-UHFFFAOYSA-N", "SMILES:c1coc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJJIDWRRVCWUPB-UHFFFAOYSA-N", "SMILES:c1nc(Nc2ccc3scnc3c2)c2cc(-c3ccoc3)ncc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGHXRYLOFVEPAN-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYKCKNPCVXOOLC-UHFFFAOYSA-N", "SMILES:c1cncc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEOYYDLTSVWJSS-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFXRFPVGHHTBPM-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633541", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCRDIQWIRXMCFC-UHFFFAOYSA-N", "SMILES:c1nc(Nc2ccc3scnc3c2)c2cc(N3CCNCC3)ncc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWNQUMGOTIHKCQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2cc3c(Nc4ccc5scnc5c4)ncnc3cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHJVNEUKLCJOPC-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(c2cc3c(Nc4ccc5scnc5c4)ncnc3cn2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BERGIBAGGGTDBN-UHFFFAOYSA-N", "SMILES:c1nc(Nc2ccc3scnc3c2)c2cc(N3CCN(C4COC4)CC3)ncc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKNKQPXRRYEHGQ-VOTSOKGWSA-N", "SMILES:C(=C/c1cc2c(Nc3ccc4scnc4c3)ncnc2cn1)\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXJUYTUUULKEHL-ZZXKWVIFSA-N", "SMILES:Clc1ccc(/C=C/c2cc3c(Nc4ccc5scnc5c4)ncnc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632264", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSXHFLGZEFXYRJ-GORDUTHDSA-N", "SMILES:COc1ccc(/C=C/c2cc3c(Nc4ccc5scnc5c4)ncnc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSHANIKPULUZST-UHFFFAOYSA-N", "SMILES:C(#Cc1cc2c(Nc3ccc4scnc4c3)ncnc2cn1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQBLTZOULJCFMJ-UHFFFAOYSA-N", "SMILES:CCc1ccc(C#Cc2cc3c(Nc4ccc5scnc5c4)ncnc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDANGPXOFKSTJT-WEVVVXLNSA-N", "SMILES:Cc1ccc(Nc2ncnc3cnc(/C=C/c4ccc(Cl)cc4)cc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRGPWVNYFJGVQN-JXMROGBWSA-N", "SMILES:Clc1ccc(/C=C/c2cc3c(Nc4cnc5ccccc5c4)ncnc3cn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL191528", "category": ["biolink:ChemicalEntity"], "name": "ETHOXYCOUMARIN", "xref": ["InChIKey:LIFAQMGORKPVDH-UHFFFAOYSA-N", "SMILES:CCOc1ccc2ccc(=O)oc2c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5633067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFSDQJWWAXBBHO-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cccc(OS(=O)(=O)F)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIEDTEYNYDZYAW-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cc(Cl)cc(OS(=O)(=O)F)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYRHGXCDOPLTBI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Oc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGAPAJGJVGUQCH-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cccc(S(=O)(=O)F)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAJDINBANMOSDA-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cc(Br)cc(OS(C)(=O)=O)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLLAICDPBZWRG-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTVYPMFVYQCUIL-UHFFFAOYSA-N", "SMILES:C#Cc1cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc(OC(=O)C=C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJTHZXQYOZHIGN-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Oc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQEKPBMLTLWKBA-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)Nc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROYVFCZNWLKEOZ-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cccc(C=O)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGYUWRRSTZEWGH-UHFFFAOYSA-N", "SMILES:C#Cc1cc(C=O)cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIBMCGCBZUXMNV-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cc(Cl)cc(C=O)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGOPDJCLCPRANF-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3cc(C=O)cc(C=O)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKRGQCXTMSMEDA-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(C)c(C=O)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUAIVSSXDCBECL-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(C(F)F)c(C=O)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMXAEGILRYCLRR-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(O)c(C=O)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYOVNBGDHWACL-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(C=O)c(O)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXFJJNPAVOUTNV-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(OS(=O)(=O)F)cc3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633094", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFRLKESDBYWSQW-UHFFFAOYSA-N", "SMILES:COCCOc1cc2ncnc(Nc3ccc(F)c(OS(=O)(=O)F)c3)c2cc1OCCOC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631610", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKVXYSBVFGGCGL-UHFFFAOYSA-N", "SMILES:N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2c[nH]c3ccccc23)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONMCHNHOMQZLSO-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2cc(CNC3CCCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGOXZNBUSSHYBZ-UHFFFAOYSA-N", "SMILES:Brc1ccc(Cn2cc(CNC3CCCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633087", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHHFSGQWXBMGLW-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(CNC3CCCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUSKLBGDXQVOQG-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2cc(CNC3CCCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHFJUFGQJMYAME-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(CNC3CCCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632181", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCXVATXXCGOSNR-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Cn2cc(CNC3CCCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUZZPIKJVYYGRW-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Cn2cc(CNC3CCCCCC3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFWKIXNIVIXPBP-UHFFFAOYSA-N", "SMILES:c1ccc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGGZYOMXAQALQ-UHFFFAOYSA-N", "SMILES:Brc1ccc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQARWLAUMRYONO-UHFFFAOYSA-N", "SMILES:Clc1ccc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPCKFNLAAZDEKP-UHFFFAOYSA-N", "SMILES:Fc1ccc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYPXDYQLFJTJKT-UHFFFAOYSA-N", "SMILES:Cc1ccc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDVRRRLMNGMWIW-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQYMBYVPWKXZIO-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(Cn2cc(CNC34CC5CC(CC(C5)C3)C4)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DANIUTWEXULISV-JJJKAYHGSA-N", "SMILES:COc1ccc2nc3c(c(NCCCCCNC(=S)N[C@]45CC6C[C@@H](C[C@@H](C6)C4)C5)c2c1)CCCC3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3910142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMOLFVGCLPCFQX-UHFFFAOYSA-N", "SMILES:C#CCN(Cc1ccc2cccc(O)c2n1)C(C#N)CCC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4165327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJANHZWEMNJHRA-UHFFFAOYSA-M", "SMILES:COc1cc2c(cc1OC)C(=O)C(Cc1cc[n+](Cc3ccccc3)cc1Br)C2.[Br-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4581664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJJFRDYJWSRAOQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cn(Cc3ccc4ccccc4c3)nn2)cc1C(=O)NCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3410478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNLXCPCVQJMBHE-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cn(Cc2ccc(Cl)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSPIPCOBRUYXRT-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCC1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL174607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQWPXZAKPMZPOE-UHFFFAOYSA-N", "SMILES:CC#CCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZOZQGZBUTXQNP-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCC1CCCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQYDAMRNONQKID-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCC1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632210", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLMLCXDFQDGVDT-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHYGHRNHQNMEMF-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNAZKGZJDPDZNN-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTMXNQHYVZWYHQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXTRRBZHXUJMGI-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVLFZUJEVMCRCH-BQYQJAHWSA-N", "SMILES:CC/C=C/CCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGLSQTUWHRUCNO-UHFFFAOYSA-N", "SMILES:C=CCCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUKIVWAVTFGFRW-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(-c2ncccn2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOXYBSKITCWECB-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(-c2ncccn2)nc1OCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAPYWEKLTJOOTD-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(-c2ncccn2)nc1OCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUBZNZTVMOYSIR-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(-c2ncccn2)nc1OCC1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631693", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAHFHYIBQZICQD-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(-c2ncccn2)nc1OCC1CCCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKLYEJGZCIKMHN-UHFFFAOYSA-N", "SMILES:CC#CCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C)cc2)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBWNCMRQQSSBHU-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(-c2ncccn2)nc1OCC1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHKFDSDRONRERT-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(-c2ncccn2)nc1OCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQGWXFUOIHHAMU-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(-c2ncccn2)nc1OCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNCHWLRWPQAHFR-AATRIKPKSA-N", "SMILES:CC/C=C/CCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C)cc2)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSDZMHGAZVQGBU-UHFFFAOYSA-N", "SMILES:C=CCCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C)cc2)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDJKTKIJTXSOQY-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORGXPYJPTCCMBG-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMMQGMZYQKVNJQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIBFMJRNXLNMQZ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCC1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHOBXXVUIZLOKT-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCC1CCCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXNOCZKVOOMSTG-UHFFFAOYSA-N", "SMILES:CC#CCOc1nc(-c2ncccn2)nc(NS(C)(=O)=O)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVMLZSGBSMBPDJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCC1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXFGTVYULLXKKL-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWZKODKSGKHTEO-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXHYHRDLJMOJCV-AATRIKPKSA-N", "SMILES:CC/C=C/CCOc1nc(-c2ncccn2)nc(NS(C)(=O)=O)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JALHSSIQLVEPIF-UHFFFAOYSA-N", "SMILES:C=CCCOc1nc(-c2ncccn2)nc(NS(C)(=O)=O)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBRZMLHCBFTBM-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2)nc(-c2ncccn2)nc1OCC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPNZZWLXFSOHMR-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2)nc(-c2ncccn2)nc1OCC1CCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDDCVSROCYOJTN-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2)nc(-c2ncccn2)nc1OCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDLMJDXQJHRACU-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2)nc(-c2ncccn2)nc1OCC1CCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IODCPIRKNVOXIW-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2)nc(-c2ncccn2)nc1OCC1CCCCN1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQUDOIORVYSHBU-UHFFFAOYSA-N", "SMILES:CC#CCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccccc2)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633230", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNLWTBBDZEEDL-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2)nc(-c2ncccn2)nc1OCC1CCCN(C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWYZQRHJBIAVTQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2)nc(-c2ncccn2)nc1OCCC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZMUGVLAVYUNQR-UHFFFAOYSA-N", "SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2)nc(-c2ncccn2)nc1OCC(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXMNRAYZOHOOA-SNAWJCMRSA-N", "SMILES:CC/C=C/CCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccccc2)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHYBHWDZXUCMCQ-UHFFFAOYSA-N", "SMILES:C=CCCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccccc2)c1Oc1ccccc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBRYNLHJJUQPDB-DNQXCXABSA-N", "SMILES:O=C(NCc1ccccn1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUNPJKJZKMOWFU-HXUWFJFHSA-N", "SMILES:O=C(NCc1ccccn1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQUAYXBTSNWMCV-OAQYLSRUSA-N", "SMILES:O=C(Cc1ccccc1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGRUVUHDSHQRML-JOCHJYFZSA-N", "SMILES:O=C(CCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNXKEIDVGXREHY-OAQYLSRUSA-N", "SMILES:O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKPZSQQCEBQRKU-HSZRJFAPSA-N", "SMILES:O=C(CCCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXQNOZLFQCDQBD-OAQYLSRUSA-N", "SMILES:O=C(CNC(=O)c1ccccc1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSYERDCOJUINP-OAQYLSRUSA-N", "SMILES:O=C(CNC(=O)c1ccc(Cl)cc1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUQBNXKBUKZRM-OAQYLSRUSA-N", "SMILES:O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMGDNEJLMDODCY-OAQYLSRUSA-N", "SMILES:O=C(CNC(=O)c1ccc(Cl)c(F)c1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYDIOHQUISUVPK-JOCHJYFZSA-N", "SMILES:N#Cc1cc(F)cc(C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)C(=O)NCc2ccccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCAJUYAZKBBUPK-JOCHJYFZSA-N", "SMILES:N#Cc1cc(C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)C(=O)NCc2ccccn2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPCNQJQWSGJPJP-OAQYLSRUSA-N", "SMILES:O=C(CNC(=O)c1cc2ccccc2o1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAWTXKPGXJFEAC-OAQYLSRUSA-N", "SMILES:O=C(CNC(=O)C1CCCCC1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJUGESPICWTANV-HXUWFJFHSA-N", "SMILES:O=C(CNC(=O)C1CCOCC1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCLUDUNRFKYSQJ-HXUWFJFHSA-N", "SMILES:O=C(CNC(=O)C1CCC(F)(F)CC1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQCAREHIEYNIJH-OAQYLSRUSA-N", "SMILES:O=C(CC1CCC(F)(F)CC1)NCC(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMGXCPODOKRVPY-RSPOEFSDSA-N", "SMILES:O=C(CNC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVECNTVPEIMDPR-HXUWFJFHSA-N", "SMILES:O=C(CNC(=O)C1CCC(F)(F)CC1)N[C@H](Cc1ccc(Cl)cc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633598", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIDSZHYCZICPJW-HXUWFJFHSA-N", "SMILES:O=C(CNC(=O)C1CCC(F)(F)CC1)N[C@H](Cc1cccc(Cl)c1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEHLDRVVWLZHOK-HXUWFJFHSA-N", "SMILES:O=C(CNC(=O)C1CCC(F)(F)CC1)N[C@H](Cc1ccccc1Cl)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQYSCCANHVMMNR-HXUWFJFHSA-N", "SMILES:O=C(CNC(=O)C1CCC(F)(F)CC1)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFSTYEJAMIGWSI-HXUWFJFHSA-N", "SMILES:O=C(CNC(=O)C1CCC(F)(F)CC1)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBDQYOAPUVIFG-LAUBAEHRSA-N", "SMILES:C[C@H](NC(=O)C1CCC(F)(F)CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBDQYOAPUVIFG-DYESRHJHSA-N", "SMILES:C[C@@H](NC(=O)C1CCC(F)(F)CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWGOVVKLVBONPR-FGZHOGPDSA-N", "SMILES:CC[C@@H](NC(=O)C1CCC(F)(F)CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXNDVGLKVSXBHK-FGZHOGPDSA-N", "SMILES:COC[C@@H](NC(=O)C1CCC(F)(F)CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKUREEPCLFOLNG-DHIUTWEWSA-N", "SMILES:CC(C)[C@@H](NC(=O)C1CCC(F)(F)CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYFNRUHNMPLXTF-OAQYLSRUSA-N", "SMILES:O=C(NCc1ccccn1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)C2CCC(F)(F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGLKZTTZISKGND-OAQYLSRUSA-N", "SMILES:CN(CC(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1)C(=O)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOLKOUDNYUMULW-FGZHOGPDSA-N", "SMILES:O=C(NCc1ccccn1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(F)(F)CN1C(=O)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPHHADSVJQMGAP-DHIUTWEWSA-N", "SMILES:O=C(NCc1ccccn1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1COCCN1C(=O)C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQVDFTGKCOAFQW-XMSQKQJNSA-N", "SMILES:C[C@@H](NC(=O)CC1CCC(F)(F)CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLZQYKFQFDRYCG-ACOOPHAKSA-N", "SMILES:C[C@@H](NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RERYPAMHOCZSDZ-DHIUTWEWSA-N", "SMILES:O=C(NCc1ccccn1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(F)(F)CN1C(=O)CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAECDMFIPKSIEK-MIUGBVLSSA-N", "SMILES:O=C(NCc1ccccn1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWHDQWPBCJBRTL-DNQXCXABSA-N", "SMILES:O=C(NCc1ccccn1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1COCCN1C(=O)CC1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFWQNXFWQRTQCD-DODNOZFWSA-N", "SMILES:O=C(NCc1ccccn1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633810", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYBBHAXDSGWIEH-HXISUTTISA-N", "SMILES:[2H][C@](C(=O)N[C@@H](C)c1ccc(F)cc1)(c1ccccc1)N(C(=O)C(C)=O)c1ccc2c(c1)oc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFBTZGLATUOQMR-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJTWIJOULVGPTA-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(C(C)(C)CN(C)C)c3ncnc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCSPKPOCECQIHW-UHFFFAOYSA-N", "SMILES:c1cc2cc(n1)NCCOCCNc1ccc3ncc-2n3n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWUQSVFUZPGJSI-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)c(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKRJQKWKPQYLD-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)c(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRCPOIDJTCGTKK-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(C#N)c2)c(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTIWRSGXLDSXDA-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)c(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WMWPEXJIESMSJG-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAMSIDBBEPEZAF-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)c(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOEBJQFRMNROGH-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)c(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIOJWNZMLRLFBM-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(C#N)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633692", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZEQRAJTTVLSPV-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccc(C#N)c(Nc2ccc(C#N)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRQCRISLPXAMKA-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccc(C#N)c(Nc2ccc(C#N)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDXCVDVWWVUKLY-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccc(C#N)c(Nc2ccc(C#N)c(C#N)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKHPEHYAKDIPHA-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccc(C#N)c(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYFUDILWUHCEHD-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccc(C#N)c(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSNWJUDHIRWHBS-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccc(C#N)c(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFNMFNLWOVHJAQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccc(C#N)c(Nc2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHRGJMGCTLNVPI-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1ccc(C#N)c(Nc2ccc(CN3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXHITQDJUOQSFT-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)c(C#N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYFVLWSHSNHURP-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)c(C#N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVCXCWMTYBBTOX-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(C#N)c2)c(C#N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALVIXRHBSBHPQV-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)c(C#N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631263", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVWUWJBCBOMGLU-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c(C#N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUXLWUBKRJVKCT-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)c(C#N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTDBNDWKEPUHKK-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)c(C#N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COZLWRNUCNUPTQ-UHFFFAOYSA-N", "SMILES:Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(C#N)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4647138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRUASAKWCGALLP-HXUWFJFHSA-N", "SMILES:COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)Oc5ccccc5)C4)cc(C)nn23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRSZMEQQBAGKPH-UHFFFAOYSA-N", "SMILES:Nc1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHQUYFWTXJQYFW-UHFFFAOYSA-N", "SMILES:CN(C)c1cnn2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNIAEZFZFZAJQ-UHFFFAOYSA-N", "SMILES:c1cnc2c(N3CCCC3)cnn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDJSYOYGRVYMIC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccn2ncc(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZSINVMURBDRJB-UHFFFAOYSA-N", "SMILES:Nc1cnn2ccc(N3CCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRSWMOPWLSDIKP-UHFFFAOYSA-N", "SMILES:CC1CCCN1c1ccn2ncc(N)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZOYBCLLFPWADK-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccn3ncc(N)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLOIZPZKLZANGK-UHFFFAOYSA-N", "SMILES:Nc1cnn2ccc(N3CCC(c4ccccc4)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLHRHHIVUJJKJZ-UHFFFAOYSA-N", "SMILES:Nc1cnn2ccc(N3CC4CC4C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKXNMPYGTRYARB-UHFFFAOYSA-N", "SMILES:Nc1cnn2ccc(N3CC4CCCC4C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGOLXDMLYAFSGC-UHFFFAOYSA-N", "SMILES:Nc1cnn2ccc(N3CCCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFUNBOYOJWCBCC-UHFFFAOYSA-N", "SMILES:Nc1cnn2ccc(N3CC4CC(C4)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKVFYGPTSUVKQ-UHFFFAOYSA-N", "SMILES:Nc1cnn2ccc(N3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632218", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGKUPNLZOPIVNF-UHFFFAOYSA-N", "SMILES:Nc1cnn2ccc(N3CCC(O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEVBJXKMAMIRMI-MRVPVSSYSA-N", "SMILES:Nc1cnn2ccc(N3CCC[C@@H](O)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEVBJXKMAMIRMI-QMMMGPOBSA-N", "SMILES:Nc1cnn2ccc(N3CCC[C@H](O)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWFNHXAQDOVVAI-UHFFFAOYSA-N", "SMILES:CN(C)c1ccn2ncc(N(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631773", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUGAVCBBYRTUCI-UHFFFAOYSA-N", "SMILES:CN(C)c1cnn2ccc(N3CCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZRYAJQNWLFZNU-UHFFFAOYSA-N", "SMILES:CC1CCCN1c1ccn2ncc(N(C)C)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIAJVLBPGYXCCU-UHFFFAOYSA-N", "SMILES:CC1CCN(c2ccn3ncc(N(C)C)c3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCWCCGBMQKJEBW-UHFFFAOYSA-N", "SMILES:CN(C)c1cnn2ccc(N3CCC(c4ccccc4)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWASBKFMTNBSSO-UHFFFAOYSA-N", "SMILES:CN(C)c1cnn2ccc(N3CC4CC4C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAEISXOYDFWUIX-UHFFFAOYSA-N", "SMILES:CN(C)c1cnn2ccc(N3CC4CCCC4C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFEJGGUOPMWIEO-UHFFFAOYSA-N", "SMILES:CN(C)c1cnn2ccc(N3CCCCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPEDJPRCHZTKQL-UHFFFAOYSA-N", "SMILES:CN(C)c1cnn2ccc(N3CC4CC(C4)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOXWMNJMLFTCMT-UHFFFAOYSA-N", "SMILES:CN(C)c1cnn2ccc(N3CCOCC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSNVZCSYUSNXJM-UHFFFAOYSA-N", "SMILES:CN(C)c1cnn2ccc(N3CCC(O)CC3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSZMSXGEDWYBJ-SNVBAGLBSA-N", "SMILES:CN(C)c1cnn2ccc(N3CCC[C@@H](O)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARSZMSXGEDWYBJ-JTQLQIEISA-N", "SMILES:CN(C)c1cnn2ccc(N3CCC[C@H](O)C3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL415467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVIPDPNCURSLKO-UHFFFAOYSA-N", "SMILES:CNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL34941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBERNRVMJQYKKR-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL315530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSDMAKAJBGXVLZ-UHFFFAOYSA-N", "SMILES:CCN(CC)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMDFWFQPHCPJRG-UHFFFAOYSA-N", "SMILES:CN(C)c1cccc(Nc2c3ccccc3nc3ccccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHAUFFVPTIZHSU-UHFFFAOYSA-N", "SMILES:CN(C)c1ccccc1Nc1c2ccccc2nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKIHOCVTWSNTKZ-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQWSUGPMHRYYIT-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc3ccccc3c(Nc3ccc(N(C)C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPYVCEIJZOSZLX-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc2nc3ccccc3c(Nc3ccc(N(C)C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKGYZKIOWGLLPA-UHFFFAOYSA-N", "SMILES:COc1ccc2nc3ccccc3c(Nc3ccc(N(C)C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXQPLVCAAGRTJC-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLUQJBYNTOURRK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2c3ccccc3nc3ccc(C#N)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHGBXINAMMEBJ-UHFFFAOYSA-N", "SMILES:COc1ccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIWLNHRAYMTMDX-UHFFFAOYSA-N", "SMILES:Cc1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USFGWCFORDUNMJ-UHFFFAOYSA-N", "SMILES:CCc1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSEXCUNEILSBDZ-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFBKAWWWSABIJH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2c3ccccc3nc3c(-c4ccccc4)cccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOQXMQKNHNVRCE-UHFFFAOYSA-N", "SMILES:COc1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXIZPEVUYQXIGS-UHFFFAOYSA-N", "SMILES:CCOc1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XICOSKQSQQWDBX-UHFFFAOYSA-N", "SMILES:CSc1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIUQGFWGYOTDRK-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(Nc2c3ccccc3nc3cc(F)c(F)cc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOXBBUXMWORVNJ-UHFFFAOYSA-N", "SMILES:Cc1cc2nc3ccccc3c(Nc3ccc(N(C)C)cc3)c2cc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBHYTQCPSMASOG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2nc3ccccc3c(Nc3ccc(N(C)C)cc3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHIOUOVANLTAHG-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZUQMPTVWLSYCB-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3cccc(C)c3nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPQXXCUFQRHKFR-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3ccc(C)c(C)c3nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCHUVSHNJXIXEE-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3c(C)cccc3nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOASFQTYPWYKQS-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3cc(C(F)(F)F)ccc3nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLYZNCMNBKIVBM-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3cc(F)ccc3nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVIRWSJWFJRAAM-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3cc(F)c(F)cc3nc2c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMEZSEWOEUNHTL-UHFFFAOYSA-N", "SMILES:COc1cc2nc3c(C)c(C)ccc3c(Nc3ccc(N(C)C)cc3)c2cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OATHVDKMFZZHHN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c3ncc(-c4ccc(C)c(NCCO)c4)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQPGSKXVUOGJPP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c3ncc(-c4cccc(O)c4)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYODDABQBNBRRN-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c3ncc(-c4ccc(N)nc4)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631455", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHENUVGFTXUWFQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c3ncc(-c4ccc(C)c(N)c4)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHNQSGOQPWOVDK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c3ncc(-c4cccc(N)c4)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATSVDPHUMGCRAH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c3ncc(-c4cccc5[nH]ncc45)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZWYVPYCUCSHHI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2n[nH]c3ncc(-c4ccc5[nH]ncc5c4)cc23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWJDRSBCBOWDSZ-XLOUNXCYSA-N", "SMILES:CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\\CCC=C(C)C)C(=O)OCc1cn(-c2ccccc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTPDBLPFNQSYBX-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c2c(c1)OCCC1=C2NC(N)=NC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGECAWMHWZMTOK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2CCCC(C(=O)N/N=C3\\C(=O)Nc4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJBWUSLGFWNXGT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2CCCC(C(=O)N/N=C3\\C(=O)Nc4cc(F)ccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QADFUKFAEDDBKO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2CCCC(C(=O)N/N=C3\\C(=O)Nc4cc(Cl)ccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDXSGHCXMSCFY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2CCCC(C(=O)N/N=C3\\C(=O)Nc4cc(Br)ccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFZHQCMJKQXADA-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)NC(=O)/C2=N\\NC(=O)C1CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSYKWZXDAOHEFN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)NC(=O)/C2=N\\NC(=O)C1CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYPPGSJCMJUDQQ-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCC(C(=O)N/N=C2\\C(=O)Nc3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVGVGLULWTXZRP-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCC(C(=O)N/N=C2\\C(=O)Nc3cc(F)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJGHFPJPKJMUCR-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCC(C(=O)N/N=C2\\C(=O)Nc3cc(Br)ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXSVGQOJOASAIF-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)NC(=O)/C2=N\\NC(=O)C1CCCN(C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRRVMXAQJOJTKB-UHFFFAOYSA-N", "SMILES:CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCC(C(=O)N/N=C2\\C(=O)Nc3cc([N+](=O)[O-])ccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XANAPOCLCOSTOI-QLYXXIJNSA-N", "SMILES:CN1C(=O)/C(=N\\NC(=O)C2CCCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IKFSTRXQCRBUMB-MXNGAVTRSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2CCCC(C(=O)N/N=C3\\C(=O)N(Cc4ccccc4)c4ccccc43)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBAMUTVMQUIZEU-YLHCSOALSA-N", "SMILES:CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCC(C(=O)N/N=C2\\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILXDCAUPPIOQMK-YLHCSOALSA-N", "SMILES:CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCC(C(=O)N/N=C2\\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNQCGQSDVMQVBA-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2CCC(C(=O)N/N=C3\\C(=O)Nc4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNZANDGTVGBACZ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2CCC(C(=O)N/N=C3\\C(=O)Nc4ccc(F)cc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMGHLCLSZKYQX-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2CCC(C(=O)N/N=C3\\C(=O)Nc4ccc(Cl)cc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQLLCABSQYGITI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2CCC(C(=O)N/N=C3\\C(=O)Nc4ccc(Br)cc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPWSLANCDUENHS-MXNGAVTRSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2CCC(C(=O)N/N=C3\\C(=O)N(Cc4ccccc4)c4ccccc43)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4077244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KULAYSBOYLCMAI-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CC/N=C2\\C(=O)Nc3ccc(Cl)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSJJFTUWHCQFH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NNC(=S)Nc3cccc(F)c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HRTOBLRJQZJRQI-FOCLMDBBSA-N", "SMILES:O=C(CN1C(=O)S/C(=C2/C(=O)Nc3ccccc32)C1=O)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQMCANRCXFUKSQ-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cc3cnc(Nc4c(C)cccc4[N+](=O)[O-])cc3n(CCCN3CCN(C)CC3)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVSKHAXJRYDWOO-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(-c2cc3cnc(N(C(=O)OC(C)(C)C)c4c(C)cccc4N4CCCCC4)cc3n(CCCN3CCOCC3)c2=O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYHYWVPXGOMIEM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1N(C(=O)OC(C)(C)C)c1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2CCCN1CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJVGDKSUHAGLBR-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1cc2c(cn1)cc(-c1cc(OC)cc(OC)c1)c(=O)n2CCCN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSDLJIKKXFACML-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2cnc(Nc3c(C)cccc3N3CCN(C)CC3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXIZMQIXGGYDDU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1cc2c(cn1)cc(-c1cc(OC)cc(OC)c1)c(=O)n2CCCN1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOZDDUHVOZJGMT-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2cc3cnc(Nc4c(C)cccc4N4CCOCC4)cc3n(CCCO)c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBBZHTCVZKPFIP-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2cnc(Nc3c(C)cccc3NC(=O)C=C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPLIKORJVUKBNS-UHFFFAOYSA-N", "SMILES:COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4c(C)cccc4N4CCCCC4)cc3n(CCCN3CCCCC3)c2=O)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWQWTVLDLQPTSW-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(Nc3c(C)cccc3NC(=O)C=C)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOECHMGENDGVGF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C)c1Nc1cc2c(cn1)cc(-c1c(Cl)c(OC)cc(OC)c1Cl)c(=O)n2CCCO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGYOTSYWPQEGSP-RCGKAVQVSA-N", "SMILES:CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGRCFWIZJSTQIM-YZSDQEEOSA-N", "SMILES:OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCCC4)C4CCCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPZMBNAUJXFVNL-ZPTNXYKCSA-N", "SMILES:CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJRBNNKAYRHMNT-BHLMYSNQSA-N", "SMILES:O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBQNVPYXBCNLOR-YZSDQEEOSA-N", "SMILES:CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(SC)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQXYCXZBJQANKT-RSUGUSAISA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RODNKXOMRPTUKZ-DRYZDSLUSA-N", "SMILES:OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXHEWJPOVXENE-DRYZDSLUSA-N", "SMILES:O[C@H]1[C@H](n2cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVXQUGZXCXZXGN-NQWXTVAOSA-N", "SMILES:CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QALRHJSNEXYSSK-NQWXTVAOSA-N", "SMILES:CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2170801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABFIZLKSVSXUKS-MFVLPEOLSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CCCC3)C3CCCC3)nc(Cl)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYZBUHNVPXNUQJ-BHLMYSNQSA-N", "SMILES:OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHSULWJCWFHCBW-BHLMYSNQSA-N", "SMILES:O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQZXMTBGWGRXRW-YZSDQEEOSA-N", "SMILES:CCSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVAPDXKVTBMFJQ-LSTAPTTBSA-N", "SMILES:CCCCSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYLLLDOWWGLIFD-CCYJULIYSA-N", "SMILES:O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CSc2ccccc2F)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDLRHIWSHBJJCR-TWHFMCSZSA-N", "SMILES:COc1ccc(SC[C@@]23C[C@@H]2[C@@H](n2cnc4c(NC(C5CCCC5)C5CCCC5)nc(Cl)nc42)[C@H](O)[C@@H]3O)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYPNCSYMNLQDPF-YZSDQEEOSA-N", "SMILES:O[C@H]1[C@H](n2cnc3c(NC(C4CCCCC4)C4CCCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMMOPXCAHUSCA-OHTVDBCQSA-N", "SMILES:OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRMMOPXCAHUSCA-QZUDQQPUSA-N", "SMILES:OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UECXADKPMGVFDR-HTFNCDPISA-N", "SMILES:CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUMLBXJGBLLWEQ-VRWJJGQISA-N", "SMILES:COCCN(CCOC)C(=O)[C@]12C[C@H]1[C@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@@H](O)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJJHRSQOTKJPTJ-RSUGUSAISA-N", "SMILES:NC[C@H]1O[C@@H](n2cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBXYASBAVRSXCB-SECBINFHSA-N", "SMILES:Ic1nc(N[C@H](C2CCC2)C2CC2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXSCKGUKWIMOSM-YZSDQEEOSA-N", "SMILES:O[C@H]1[C@H](n2cnc3c(NC(C4CCCCC4)C4CCCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRZNTZAVIFSIPG-XKLVTHTNSA-N", "SMILES:OC[C@H]1O[C@@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4778855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPHSMEXKXHZHKT-USNPWTNRSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1ccc2c(NC(C3CC3)C3CC3)nc(I)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4436786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVXHSHXTKYMYNV-UZXPACTOSA-N", "SMILES:OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)ncnc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KATPAPFGRPJUHJ-MXKWNSRKSA-N", "SMILES:OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVDBXTJKVCKWRR-UZXPACTOSA-N", "SMILES:O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H]2C[C@@]2(CCl)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4522864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEQHYAAIFYRXLC-MXKWNSRKSA-N", "SMILES:O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4584140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYKICRBHOLYQGR-HCCBAUPYSA-N", "SMILES:O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CSc2ccccc2F)[C@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4572905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPXIOJTWLPIVJN-TZFRNCDISA-N", "SMILES:CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL331291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXPDGTGMZKIESV-WRJDECPYSA-N", "SMILES:CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632085", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DURCBZYQELFCHD-OBPILZPTSA-N", "SMILES:Nc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CCl)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAKRHVDJYPRWAU-XEMBYONJSA-N", "SMILES:CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(I)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJCIRTWDYKBVBE-MXKWNSRKSA-N", "SMILES:OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(I)nc31)[C@H](O)[C@@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXKTBYZBHWRIH-JBVLOXCDSA-N", "SMILES:COCCN(CCOC)C(=O)[C@]12C[C@H]1[C@H](n1cnc3c(N)nc(Cl)nc31)[C@@H](O)[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIMYNOXTVNTIJY-OBPILZPTSA-N", "SMILES:Nc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKRQTFAWAYRDHG-UHFFFAOYSA-N", "SMILES:Clc1nc(NCC2CC2)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZYRKZRFJCSSTC-UHFFFAOYSA-N", "SMILES:CC1c2ccccc2CCN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOUJIHZMLVFUCX-UHFFFAOYSA-N", "SMILES:O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCc2ccccc2C1C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEWCHFJAEPWDBM-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)C(C)N(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPNRPLZBXDCFV-UHFFFAOYSA-N", "SMILES:CC1c2cc(F)ccc2CCN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTFRNQYSGNGHRK-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nncn21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAQNRKUMXLRXNS-UHFFFAOYSA-N", "SMILES:CC(C)c1nnc2n1C(C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXIMIFDXVHRGTM-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C3CC3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTIBIFJTOSWGI-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(CO)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3936349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCVASQJZWCCSRY-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(CF)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632530", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNKHVAMJHZSOHL-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(CCl)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633084", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REZQZHZAWVOQLT-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(CN(C)C)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWESULBNIZPVGE-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C3COC(C)(C)O3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URYULUTZDQQOMQ-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(O)CO)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOEWVAKZSBRODO-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)Cl)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3903910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLEMFAOWDQXMRO-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)F)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLGWBSRQTVWQOE-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)C(F)(F)F)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQWOBBJCRJSEDD-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3cccs3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBXWCYBYNYNOPL-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ccsc3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJAYVDWEOUXOAX-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ccco3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJEIQKFRKQIMJB-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3cncs3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631531", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIHNIPMYEGRKDY-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ncc[nH]3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCCZKRJEHHEQLR-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3c[nH]cn3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEPACRZSUVBRFF-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3nccn3C)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDMWHDVENDJKEQ-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3cnn(C)c3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRCINOGPJFNNCP-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3ccccn3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632118", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVOXWMFXBCHCHF-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3cnccn3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631710", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFMRDHKVQWDRIC-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnc3n2C(C)CN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSFSSKNUUFPNJB-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cc3ccc(=O)[nH]n3)ccc2F)Cc2nnc(-c3ccccn3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DESLCYGONMKVQT-UHFFFAOYSA-N", "SMILES:Cc1c(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5ccccn5)n4C(C)C3)c2)n[nH]c(=O)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSDVWFUQWNJZFT-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(COc3ccccc3C(N)=O)ccc2F)Cc2nnc(-c3ccccn3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCYYLLTXYGXPKA-UHFFFAOYSA-N", "SMILES:CC1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)Cc2nnc(-c3ccccn3)n21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGWNZULGRAKKLH-UIVHHXCWSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3/C=C/P(=O)(O)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKWIHCLAWIBCNH-KAVVHKOKSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2/C=C\\P(=O)(O)O[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZAMEHRJEIFASZ-CGFRDPKMSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2C[C@@H]3OP(=O)(O)/C=C/[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](F)[C@@H]4OP(=O)(O)OC[C@H]3O2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIOCJHIXZMBONN-IHHFMVCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2/C=C/P(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJDFLSCSIIBLQW-AUDQAHRRSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3/C=C/P(=O)(O)O[C@H]4[C@@H](F)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLZBFQHRNUDNQC-CGFRDPKMSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@@H]4/C=C/P(=O)(O)O[C@H]3[C@H]2F)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWDOHPRRWUMQBZ-IHHFMVCUSA-N", "SMILES:Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3/C=C/P(=O)(O)O[C@H]2[C@H]1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVVJYLCUZPVMDF-ASRWSEBTSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2C[C@@H]3OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)C[C@@H]4OP(=O)(O)/C=C/[C@H]3O2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSPVJYISCQDUSC-ASRWSEBTSA-N", "SMILES:Nc1nc2c(ncn2[C@H]2C[C@@H]3OP(=O)(O)/C=C/[C@H]4O[C@@H](n5cnc6c(N)ncnc65)C[C@@H]4OP(=O)(O)OC[C@H]3O2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBUSWYDRMBEBTK-SKZLQUEHSA-N", "SMILES:CC(C)(C)C(=O)OCOP1(=O)/C=C/[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2OP(=O)(OCOC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631231", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAYZMBUSBWXKMO-RLSXQBHRSA-N", "SMILES:CC(C)(C)C(=O)OCOP1(=O)/C=C/[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2OP(=O)(OCOC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSDBDXFMBXSTI-MCSZJSAISA-N", "SMILES:CC(C)OC(=O)OCOP1(=O)/C=C/[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2OP(=O)(OCOC(=O)OC(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBODAMOPZJNJDM-VSTPFKKWSA-N", "SMILES:CCC(C)(C)C(=O)OCOP1(=O)/C=C/[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2OP(=O)(OCOC(=O)C(C)(C)CC)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOURUQSKBIBXRG-UXCAUHBISA-N", "SMILES:CC1(C(=O)OCOP2(=O)/C=C/[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](F)[C@@H]3OP(=O)(OCOC(=O)C3(C)CCCCC3)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](F)[C@@H]3O2)CCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQMCGQQUGAXXBB-KHLPUUDBSA-N", "SMILES:CCCCCCCC(=O)OCOP1(=O)/C=C/[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2OP(=O)(OCOC(=O)CCCCCCC)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMICAMVUPUKENQ-UHFFFAOYSA-N", "SMILES:CC(Sc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKOHBMTWLWZNIQ-UHFFFAOYSA-N", "SMILES:CC(Sc1ccc(Cl)c(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEFISWLTINOYMK-UHFFFAOYSA-N", "SMILES:CC(Sc1cc(Cl)cc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMJBNSSIXREIQ-UHFFFAOYSA-N", "SMILES:CCC(Sc1ccc(Cl)c(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633074", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHJUENPGSBRDEB-UHFFFAOYSA-N", "SMILES:CCC(Sc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJJRJAVZONAJSD-UHFFFAOYSA-N", "SMILES:CCC(Sc1cc(Cl)cc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMGGUXIFLPINGM-UHFFFAOYSA-N", "SMILES:CCCCC(Sc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOKINXRHQSSKMG-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRJWSCNVXDIJTK-UHFFFAOYSA-N", "SMILES:CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJEOOSAJFDVYPE-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C(C)(C)Oc3ccccc3Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKIFKVPKETUQOX-UHFFFAOYSA-N", "SMILES:CN1CCN(c2nc(N)nc(C(C)(C)Sc3ccccc3Cl)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5499005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDCYURHOJLBPOC-UHFFFAOYSA-N", "SMILES:CCC(Sc1ccccc1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJSHEDSLOSMRDN-UHFFFAOYSA-N", "SMILES:CCC(Sc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTOJMLUBCKNAEH-UHFFFAOYSA-N", "SMILES:CCCC(Sc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAYZUOAFYSKTHQ-UHFFFAOYSA-N", "SMILES:CCCC(Sc1cc(Cl)cc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWJXOOKEPZDKLV-UHFFFAOYSA-N", "SMILES:CCC(Oc1ccccc1)c1nc(N)nc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZTCHAWFZGJFCM-UHFFFAOYSA-N", "SMILES:CCC(Sc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHDMODINJRXNKV-UHFFFAOYSA-N", "SMILES:CCC(Sc1cccc(Cl)c1Cl)c1nc(N)nc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITJMAFHPLDFWBC-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(N2C(=O)CSC2c2ccccc2)cc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFUPKHACLGBXTC-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)COc2ccc(N3C(=O)CSC3c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632341", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXXMSZOJVSSAQM-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)COc2ccc(N3C(=O)CSC3c3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632497", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMVGJEBWYOXDIK-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(N2C(=O)CSC2c2ccccc2)cc1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMBWMVRPWYLUQO-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(N2C(=O)CSC2c2ccccc2)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633647", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOTIUUAJEOGGCF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2SCC(=O)N2c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OANAICBWUVSGKE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)COc2ccc(N3C(=O)CSC3c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGMXSFMOWKJGNL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)COc2ccc(N3C(=O)CSC3c3ccc(C)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIDICSJSUUSAKB-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2SCC(=O)N2c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUYBXRVZBAFANK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2SCC(=O)N2c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633145", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPASJXPBJWSOGT-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1)Nc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAFUUTFADOEEAQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)COc2ccc(N3C(=O)CSC3c3ccc(Cl)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLERVELWXSGBNL-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)COc2ccc(N3C(=O)CSC3c3ccc(Cl)cc3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTFZRTPORCLXTF-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLCIYSVUPANLJU-UHFFFAOYSA-N", "SMILES:O=C(COc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHOLUNVWNYAUEQ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)COc2ccc(N3C(=O)CSC3c3ccccc3)cc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNGZOJVZLBUMFF-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)COc2ccc(N3C(=O)CSC3c3ccccc3)cc2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYZUNWKAIFRUMV-DHZHZOJOSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(/C=C/c4cc(OC)c(OC)c(OC)c4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYZBXCTWMRRGSN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)c(OC)c4)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOAPUJFETWRJJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4ccc(OC)c(OC)c4OC)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIETVFWPBCONMK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4ccccc4OC)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYDPAUPGAFJJKJ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4c(OC)ccc5ccccc45)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGYIQNNFZACMFA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4c(OC)c(OC)cc5ccccc45)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCSAWODQLYGNLD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cccc(OC)c4OC)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGQJTOOVGSMYNQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4c(OC)cccc4OC)n3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIXYTRLWVQHPD-DHZHZOJOSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3/C=C/c3cc(OC)c(OC)c(OC)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODFXQKOIGUTYDL-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3-c3cc(OC)c(OC)c(OC)c3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJINHBJMKHRPQM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3-c3ccc(OC)c(OC)c3OC)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBDITJQFDVUYIM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3-c3ccccc3OC)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKHUNFQQGSVRGD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3-c3c(OC)ccc4ccccc34)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVRQHXCXLWJHOB-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3-c3c(OC)c(OC)cc4ccccc34)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UZOFFAHSLWQYJI-DHZHZOJOSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(/C=C/c4cc(OC)c(OC)c(OC)c4)o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQQWOTIRCZVCOD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLWOFCWIKAMQTK-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4ccc(OC)c(OC)c4OC)o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNGGDGHHAXKFEC-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4ccccc4OC)o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUDNGPLZWGUZDD-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4c(OC)ccc5ccccc45)o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPUFJYQZJQKRPN-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4c(OC)c(OC)cc5ccccc45)o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHEBNQVJWXDSDQ-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4cccc(OC)c4OC)o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEFINWIJRBFAIX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4c(OC)cccc4OC)o3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCZMPCUUTSDNAJ-PHEQNACWSA-N", "SMILES:COc1ccccc1/C=C/C(=O)/C=C/c1ccccc1OC"]}
{"name": "Transcription factor EB", "xref": ["CHEMBL.TARGET:CHEMBL6067602"], "id": "UniProtKB:P19484", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFILBMABMFSUEH-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCN(CC(OCc2ccc3ccccc3c2)c2ccc(Cl)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAIFHNXNWIXSQR-UHFFFAOYSA-N", "SMILES:CNCCCNC(=O)c1ccc2c(Nc3ccc(CN)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDWKNSGZGXCDL-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)c1ccc2c(Nc3ccc(CN)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWDIWBXSWHSCI-UHFFFAOYSA-N", "SMILES:NCc1ccc(Nc2ncnc3cc(C(=O)NCCN4CCNCC4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCZYJFRATUCCSD-UHFFFAOYSA-N", "SMILES:NCc1ccc(Nc2ncnc3cc(C(=O)NC4CCNC4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCVHTQQDQISQX-UHFFFAOYSA-N", "SMILES:NC1CCN(c2ncnc3cc(C(=O)NC4CCNC4)ccc23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGRZYOOEQKEARV-UHFFFAOYSA-N", "SMILES:NCc1ccc(NC(=O)c2ccc3c(N4CCC(N)CC4)ncnc3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXLRNKPJQQYPBL-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1ccc2c(Nc3ccc(CN)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBBFGXHUFVVWEI-UHFFFAOYSA-N", "SMILES:CN(C)CCN1CCC(NC(=O)c2ccc3c(Nc4ccc(CN)cc4)ncnc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIWGHBRLVZTBB-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(NC(=O)c2ccc3c(Nc4ccc(CN)cc4)ncnc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633703", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIWGHBRLVZTBB-IBGZPJMESA-N", "SMILES:CNCCN1CC[C@H](NC(=O)c2ccc3c(Nc4ccc(CN)cc4)ncnc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633779", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMIWGHBRLVZTBB-LJQANCHMSA-N", "SMILES:CNCCN1CC[C@@H](NC(=O)c2ccc3c(Nc4ccc(CN)cc4)ncnc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHJLXUSKMYFZML-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(NC(=O)c2ccc3c(Nc4ccc(CNC)cc4)ncnc3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUBCTIQAZDQPJR-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2c[nH]cc2CNCCN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFTKABVQGBEPHS-UHFFFAOYSA-N", "SMILES:CNCCNc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1614812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPSRJAZORUFUOI-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC)c(F)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3969797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWJBIFGWCPEUEE-UHFFFAOYSA-N", "SMILES:CNCCN1CCC(Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOTVGBQTCMXBLC-RQNOJGIXSA-N", "SMILES:CNCCNCc1c[nH]nc1-c1ccc(O[C@H]2C[C@H](OCCC3CCCCC3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMDOATYUWHIKEM-UHFFFAOYSA-N", "SMILES:CN(C)CCNC(=O)c1ccc2c(Nc3ccc(CN)cc3)ncnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHVSVAPAQOQCFU-UHFFFAOYSA-N", "SMILES:NCc1ccc(Nc2ncnc3cc(C(=O)NCCN4CCCC4)ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNLYZRLJXSQPOY-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1cccc(Sc2ccccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXBZZVFTOOPOMS-UHFFFAOYSA-N", "SMILES:Clc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1-c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHQINAZDTZKETJ-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDIGKSBMSUJDKK-UHFFFAOYSA-N", "SMILES:Cn1cccc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMLSDEHTKHFUOY-UHFFFAOYSA-N", "SMILES:Cn1ccnc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUWIRUHBWKEXJH-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CCKXWDFTFYQXIW-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VINSCOZAZPCNEQ-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTGKKWYPJZKZBB-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBYJXKZXQPJSFR-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAURYEGVXSEOPW-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANMOZAVTGKUKSW-UHFFFAOYSA-N", "SMILES:Cc1ccsc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633137", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAKYWDLIOSDCID-UHFFFAOYSA-N", "SMILES:Clc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1-c1cc[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631682", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAZYNLYVMYUQKO-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBHPPIGKCSGSGG-UHFFFAOYSA-N", "SMILES:Cc1cscc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKZNIIZTVZQXIP-UHFFFAOYSA-N", "SMILES:c1csc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632677", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRXMMRXSNDQWGP-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGSRGMUNQNJRJN-UHFFFAOYSA-N", "SMILES:Cn1cccc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQXNAUMNERLXHB-UHFFFAOYSA-N", "SMILES:Cn1ccnc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSXCRNMLNPTLQQ-UHFFFAOYSA-N", "SMILES:Cn1cnc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEWQFVCNRWMTNX-UHFFFAOYSA-N", "SMILES:Cc1csc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFSHWGJVQQQXED-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWBBMKOSNWMTEG-UHFFFAOYSA-N", "SMILES:Cn1cncc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKECELGCEOIMAK-UHFFFAOYSA-N", "SMILES:Cc1ncc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631683", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPLBTEWWMKZSNY-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)sc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTCHKTGNNBBKHW-UHFFFAOYSA-N", "SMILES:Cc1ccsc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJWNWVKVBJUIJN-UHFFFAOYSA-N", "SMILES:c1nc(Nc2ccc3scnc3c2)c2cc(-c3cc[nH]n3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGFINDJMAKKKHN-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUUWVKHLQTUXIV-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URQQIGKVUGSADK-UHFFFAOYSA-N", "SMILES:Cc1cscc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631246", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWDPCUJHMUSEKL-UHFFFAOYSA-N", "SMILES:OCc1cccc(-c2cc3ncnc(Nc4ccc5scnc5c4)c3cc2-c2cccs2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMLPCOVOJFEKRE-UHFFFAOYSA-N", "SMILES:Cn1cccc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1-c1cccc(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632745", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENVTQZTFIQRHK-UHFFFAOYSA-N", "SMILES:Cc1ccsc1-c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1-c1cccc(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUMWMQOMQTXCGS-UHFFFAOYSA-N", "SMILES:OCc1ccc(-c2cc3ncnc(Nc4ccc5scnc5c4)c3cc2-c2cccs2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKOORZPNFGWYGV-UHFFFAOYSA-N", "SMILES:C1=C(c2cc3ncnc(Nc4ccc5scnc5c4)c3cc2-c2cccs2)COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHWDMSOTJRYWCJ-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(C2CN(c3ccc(C(F)(F)F)cc3)N=N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAKLWESQASBBRJ-VWJSQJICSA-N", "SMILES:Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ncnc3c(-c4ccccc4)csc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYGDULOVAFRCNV-UHFFFAOYSA-N", "SMILES:CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633184", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NOHSJHQZQLRUGU-FLBLMSIOSA-N", "SMILES:CCn1c(-n2cc(/C=N/N=c3\\scc(-c4ccc(Br)cc4)n3-c3ccccc3)c(-c3ccc(Cl)cc3)n2)nc2[nH]c(=O)n(C)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDBVNWLHPGHURV-XQYUQICFSA-N", "SMILES:CCn1c(-n2cc(/C=N/N=c3\\scc(-c4ccc(Br)cc4)n3-c3ccccc3)c(-c3ccc(OC)cc3)n2)nc2[nH]c(=O)n(C)c(=O)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYOVHRDVYRENAS-GHXNOFRVSA-N", "SMILES:COc1cc(/C=C2\\S/C(=N/c3nnc(C)s3)NC2=O)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOGXNNBWUGBVPI-IZKYPSLPSA-N", "SMILES:O=c1[nH]/c(=C\\c2nnc(-c3ccc(O)cc3)s2)s/c1=C\\c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INPUZRWWYNGZJG-SDQBBNPISA-N", "SMILES:O=C(C/C(=C/c1cccc([N+](=O)[O-])c1)c1n[nH]c(=S)o1)c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDQINPUKIUZAHG-UHFFFAOYSA-N", "SMILES:Fc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3sc4c(c23)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJAXXAKCZPATKN-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3sc4c(c23)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOKXKJBTSMQRHT-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc(Nc3ccc(Br)cc3)c3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXJPLAYXLITPHK-UHFFFAOYSA-N", "SMILES:Clc1ccc(-c2nc(Nc3cccc(Br)c3)c3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPGVNVLZVMZHFR-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2nc(Nc3ccc(F)cc3)c3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTJGLGFVEIFCOX-UHFFFAOYSA-N", "SMILES:Cc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3sc4c(c23)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WADDUXKUMXRECR-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2nc(Nc3ccc(Br)cc3)c3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KLTINOYORPNONT-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1ccc(-c2nc(Nc3cccc(Br)c3)c3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBGCIRJUCBFWMT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(F)cc3)c3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSCWLQSJJYTOJH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(Nc3ccc(Br)cc3)c3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADBHJTCBNSFXQH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(Nc3ccc(F)cc3)c3c4c(sc3n2)CCCC4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORHVQFNMLMNOFO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(Nc3ccc(C)cc3)c3c4c(sc3n2)CCCC4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIONSZQQDUCQHN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(NNc3ncnc4sc5c(c34)CCCC5)c3c4c(sc3n2)CCCC4)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1215467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPKGPEGXWFTAIR-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SONRLQYCJFOGIK-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEPNUQXOYQXDBH-UHFFFAOYSA-N", "SMILES:CC(C)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXHHPDOSCPSDLJ-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(-c4noc(C(F)(F)F)n4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMODCVWSCAMNGK-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3ccc(-c4noc(C(F)(F)F)n4)cc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUCCBEWLLGMTNZ-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(-c4noc(C(F)(F)F)n4)cc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBSSMKUEULIYMO-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(-c4noc(C(F)(F)F)n4)c(F)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJZHUXRXIPHQM-UHFFFAOYSA-N", "SMILES:Fc1cc(-c2noc(C(F)(F)F)n2)ccc1Cn1cnc2c(Cl)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632170", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKPLOJRHCXVECL-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(-c4noc(C(F)(F)F)n4)c(Cl)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629961", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUFEUIAJQOOAA-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3ccc(C(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYZXCMVSUGOBSM-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(C(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIWPRFJDZRJYLV-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3ccc(C(=O)NO)cc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQJUWWJBNKEMBH-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3ccc(C(=O)NO)cn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTKNNRIAYWZHOD-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(C(=O)NO)cn3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJUMTIZUURNQEZ-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3ccc(NC(=O)CS)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632247", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KUEJXGYPNGKIRG-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(NC(=O)CS)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKMFNBPTLBJQDT-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(CNC(=O)CS)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUMWDXBPMNCENJ-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3ccc(-c4noc(C(F)(F)F)n4)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOTYHGRAZUNSOR-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3ccc(-c4noc(C(F)(F)F)n4)c(F)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICQWEFNZDBRIHE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1nc(-c2ccc(Cn3cnc4c(Cl)ncnc43)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVZVILQDBQLWHS-UHFFFAOYSA-N", "SMILES:Fc1cc(Cn2cnc3c(Cl)ncnc32)ccc1-c1noc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISGCCWFLJWFRMU-UHFFFAOYSA-N", "SMILES:Nc1ncc2ncn(Cc3ccc(C(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQOIFMQDSVPOIV-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(C(=O)NO)cc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632704", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQBDUPWSKRYYED-UHFFFAOYSA-N", "SMILES:Nc1ncc2ncn(Cc3ccc(C(=O)NO)cc3F)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFAHJHVLPOCASI-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc3c(Cl)ncnc32)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOXPMOKGKQFETN-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(Cn2cnc3c(Cl)ncnc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632401", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZTDXVZOZWLBBH-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3ccc(CC(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633489", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXKOFWIODZVFPN-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3ccc(CC(=O)NO)cc3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTXNQKXVKQYVLN-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3nc(C(=O)NO)co3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKXVOHBGRZPIPQ-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ccn(Cc3cccc(-c4noc(C(F)(F)F)n4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTJGFIMYGPIMIY-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)c2ncn(Cc3cccc(-c4noc(C(F)(F)F)n4)c3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMMGDEBLYKOVFX-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCCC1)n1cc(F)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBSRUXSJIPTBNT-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGNLRUNISRGJBB-UHFFFAOYSA-N", "SMILES:O=C(NCCCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXZFQUKTESHNFG-UHFFFAOYSA-N", "SMILES:O=C(NCCCCc1ccccc1)n1cc(F)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632793", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUVSUAMQSWTVKO-UHFFFAOYSA-N", "SMILES:O=C(NCCCCCCc1ccccc1)n1cc(F)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIMAGKJQPHKEMO-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)N1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJQCZRWUHUCVFR-UHFFFAOYSA-N", "SMILES:CC(C)(C)CC(=O)N1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631689", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQECEJYPECALPC-UHFFFAOYSA-N", "SMILES:O=C(CC1CCCCC1)N1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQMFPNHJWHJZCU-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccccc1)N1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHZQQNSHGOVHCL-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2cc[nH]c2c1)N1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYLGHNYKAOQOOX-UHFFFAOYSA-N", "SMILES:O=C(NCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)c1ccc2cc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRKNDOYKIIKKGF-UHFFFAOYSA-N", "SMILES:Cn1ccc2ccc(C(=O)NCCCNC(=O)n3cc(F)c(=O)[nH]c3=O)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWFLPRHIACOBN-UHFFFAOYSA-N", "SMILES:O=C(NCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)c1cc2ccccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOVWCZBXBSAQA-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)NCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMKDOIPYZMFCOC-CYBMUJFWSA-N", "SMILES:CC(C)C[C@H](CNC(=O)c1cc2ccccc2[nH]1)CNC(=O)n1cc(F)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJXBRHNYDZGKX-UHFFFAOYSA-N", "SMILES:CCn1c(C(=O)NCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXPZZZZQRNCWHX-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(C(=O)NCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIONIIWSVPYOSP-UHFFFAOYSA-N", "SMILES:O=C(NCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)c1cc2ccccc2n1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632186", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHWUKRCQVMSDIV-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(c1)cc(C(=O)NCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)n2CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632123", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPFCRNVQLVQVIH-UHFFFAOYSA-N", "SMILES:COc1ccc2c(c1)cc(C(=O)NCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)n2CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSOQJYAJYKISGM-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(C(=O)NCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)cc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAXBTMOXVUBTMT-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(C(=O)NCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)cc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKDZSGOSTQSGNT-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(C(=O)NCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)cc2cc(C(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEBVSVQILHVAJO-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(C(=O)NCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)cc2cc(OC(F)(F)F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VEEWGVTWJDZTKK-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1cc(C)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTQZLYPNFBVPDF-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1cc(CC)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2333042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNJPRWUWXCQZFI-UHFFFAOYSA-N", "SMILES:CCCCCCNC(=O)n1cc(Br)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNGBNUDXYXOUJG-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(C(=O)NCCCNC(=O)n2ccc(=O)[nH]c2=O)cc2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHLDMAGXWSFPMC-UHFFFAOYSA-N", "SMILES:Cc1cn(C(=O)NCCCNC(=O)c2cc3cc(Cl)ccc3n2CC(C)C)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOVRBUAVVTWZIX-UHFFFAOYSA-N", "SMILES:CC(C)Cn1c(C(=O)NCCCNC(=O)n2ccc(=O)[nH]c2=O)cc2cc(F)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633225", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFNXKSZJGVFQC-UHFFFAOYSA-N", "SMILES:Cc1cn(C(=O)NCCCNC(=O)c2cc3cc(F)ccc3n2CC(C)C)c(=O)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633208", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFEFOGJESFRAOZ-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)NC2(C(=O)O)CCCC2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQMWRHJIEZTNOS-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)NC2(CC(=O)O)CCCC2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLCQRSRKCHMPD-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)NCC(=O)O)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQEFQZHUQRMRND-GOSISDBHSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)N[C@H](C)C(=O)O)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIFONIIELOSTJG-OAQYLSRUSA-N", "SMILES:CC[C@@H](NC(=O)N(CCCCc1ccccc1)Cc1cc(OC)c(C)c(OC)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIPCSPHKKYDNQP-HSZRJFAPSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)O)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHBJNZQMQHBADZ-AREMUKBSSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADVSJMPPTFSREI-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)NC(C)(C)C(=O)O)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKLEXCBBMNJAT-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)NC2(C(=O)O)CC2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXAKOIDDJGHWQH-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)NC2(C(=O)O)CCC2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSSIAPHRYYXOGU-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)NC2(C(=O)O)CCCCC2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOMYCYUNRGAILP-UHFFFAOYSA-N", "SMILES:COc1cc(CN(CCCCc2ccccc2)C(=O)NC2(C(=O)O)CC(F)(F)C2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWUNBLJBASPCI-LJQANCHMSA-N", "SMILES:COc1cc([C@@H](C)N(CCCCc2ccccc2)C(=O)NC2(C(=O)O)CC(F)(F)C2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCWUNBLJBASPCI-IBGZPJMESA-N", "SMILES:COc1cc([C@H](C)N(CCCCc2ccccc2)C(=O)NC2(C(=O)O)CC(F)(F)C2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEPASESSFZRJFO-UHFFFAOYSA-N", "SMILES:CCC(c1cc(OC)c(C)c(OC)c1)N(CCCCc1ccccc1)C(=O)NC1(C(=O)O)CC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRGGXXOZGQTJKP-GOSISDBHSA-N", "SMILES:COc1cc([C@@H](C)N(CCCc2ccccc2)C(=O)NC2(C(=O)O)CC(F)(F)C2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSVBNHKLYJELGS-HXUWFJFHSA-N", "SMILES:COc1cc([C@@H](C)N(CCCCCc2ccccc2)C(=O)NC2(C(=O)O)CC(F)(F)C2)cc(OC)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INBHKSUIEFMDRU-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)cc3O)nc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4798506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYRYHMHOVAQOOO-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4783453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBJSLMXSIPTSNC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)cc3O)nc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762172", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LILBYRALRHPEFC-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3O)nc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4748211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRYWOSZZDHWVMQ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(-c3ccccc3O)n(-c3ccc(S(N)(=O)=O)cc3)n2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVXGCJQZYGIUKH-UHFFFAOYSA-N", "SMILES:COc1ccc(O)c(-c2nc(-c3ccccc3O)n(-c3ccc(S(N)(=O)=O)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633126", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQZIBLSDHLPWNU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nc(-c3ccccc3O)n(-c3ccc(S(N)(=O)=O)cc3)n2)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4758093", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKEXYVBZKVOOTK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3O)nc2-c2ccc(F)cc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4797242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWSNBODLEILIJR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)nc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDSNVUBPYVGNKN-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)cc3)nc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4776862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYQYWZSCHJMBLW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)nc2-c2ccccc2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBLBCOGDJWFKPM-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(NC(=O)COc3ccccc3Cl)c(N3CCOCC3)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4470091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMGWGSMHPCWLOH-UHFFFAOYSA-N", "SMILES:O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHHZKBMVRPULAW-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633120", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVGSMMBQCIHOJW-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQEGCGUYNMWYSV-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRYZUGLAKDFFHB-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSOZITYGYNJIY-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWSDAGGNWNIATM-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEUQVIATKQSEIN-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZROFZHRDIGECE-UHFFFAOYSA-N", "SMILES:COc1cccc(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWKNJMHYRLPTMV-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWPPLLFHMBCVQP-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CICZMPBFYWSTEY-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTNRNMURGXOMMG-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTHHBCWMJYPARB-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVNYLURTQSDNSV-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccccc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVVQCRCRLPSJEP-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMJOFHAXXOFFEH-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc(F)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632147", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCVEWYXEWKIQA-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc(Br)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXTISKNUOJLZTE-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AALSSKNKPUTUOV-UHFFFAOYSA-N", "SMILES:Cc1cccc(S(=O)(=O)NCC(=O)c2ccccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633176", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKGQWXHGWAFYKX-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZBUQZBPWOHWOE-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGWZVUSDKRVFOQ-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccccn1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMNWCAVVOGDRGR-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1cccc2cccnc12)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631338", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QAKCYJPLFMCLGG-UHFFFAOYSA-N", "SMILES:O=C(CNS(=O)(=O)c1ccc2c(c1)OCC2)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POFWBCMHDKEJDR-WZGPROSRSA-N", "SMILES:O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CC[C@@H]([C@H]1c1ccc(C(F)(F)F)cc1)[C@@H](O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUYCIIDDRAFFHB-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)N1CCN(c2ccc(O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWGRLYHJQKXIAC-FCHUYYIVSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OCC)cc(CCCCC)cc1OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNRVTNOWLDJLY-IZZNHLLZSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OCCCC)cc(CCCCC)cc1OCCCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5575999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAERNXSRCHUAEJ-BJKOFHAPSA-N", "SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OCC(=O)OCC)cc(CCCCC)cc1OCC(=O)OCC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNOQXFPBGGBIIN-OFAXGOBFSA-N", "SMILES:CCCCCc1cc(OC(C)=O)c([C@@H]2C=C(C)CC[C@H]2[C@@H](C)CC=O)c(OC(C)=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAHCMGICRXXZNM-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)c(C2C=C(C)CC(C)(C)C2)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631254", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POECLNAFZHIIJH-UHFFFAOYSA-N", "SMILES:CCCCCc1cc(O)cc2c1C1CC(C)(C)CC(C)(C1)O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGUIRLCWSHKUOY-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(C(=O)Nc5ccccc5N)cc4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHUJWVADTAZIJO-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccccc4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUBLCMOQZJHWRT-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccccc4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632335", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLVRTLIFEXOAQK-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(C4CCCC4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MITSSTIPPZCDRU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4cccs4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633129", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOFYKZOYJTYRW-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccccc4F)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CLUHPCLJHVVENS-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4cccc(F)c4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJCBPPBZKYUGB-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccc(F)cc4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPXJBXNWKBRGTA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccccc4Cl)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUQKCRWQTHNCRL-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4cccc(Cl)c4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXTHCXOSOMJIQC-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccc(Cl)cc4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHAWXRMDNGDHND-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1cnc2ccc(-c3cc(NC(=O)CCCCCC(=O)NO)n[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHFBZPRAMLINSJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1Cn1cnc2ccc(-c3cc(NC(=O)CCCCCC(=O)NO)n[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPKLKHFIRQCIST-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4cc(F)cc(F)c4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYYOHGCLJGVKGA-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4c(F)cccc4F)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNFHXTSCXQDAOI-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4c(F)cccc4Cl)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DLFSPMHGSMXBGE-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4cccc(F)c4Cl)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNVVKCDXGWLBH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4cc(F)ccc4Cl)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBDALTHTQIMRAH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4c(Cl)cccc4Cl)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632450", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLVKBWCJGUWUHI-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1Cn1cnc2ccc(-c3cc(NC(=O)CCCCCC(=O)NO)n[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTASWEBTFCSOFZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(C)c1Cn1cnc2ccc(-c3cc(NC(=O)CCCCCC(=O)NO)n[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVIWUTJJROOEMJ-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4cccc(F)c4Cl)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODZHAZSVRMPND-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cl)c1Cn1cnc2ccc(-c3cc(NC(=O)CCCCCCC(=O)NO)n[nH]3)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631242", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGFUXQQXEFCBMC-UHFFFAOYSA-N", "SMILES:O=C(O)CCCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4c(Cl)cccc4Cl)c3c2)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDAUMZIMOHUEJO-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1cccc(-c2cc(NC(=O)c3ccccc3)n[nH]2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNGUDVJUDVDHMN-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(-c2cc(NC(=O)c3ccccc3)n[nH]2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633787", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNGWTVFYSHLEQY-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(C(=O)Nc5ccccc5N)c4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631491", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYUKLGMQEVSXGS-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(C(=O)Nc5ccc(F)cc5N)cc4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNSISFAAVXBMAF-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(C(=O)Nc5ccc(Cl)cc5N)cc4)[nH]n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPTWUTQEBVSNHL-UHFFFAOYSA-N", "SMILES:O=C(CCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccccc4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHYWVZSVNNQXNI-UHFFFAOYSA-N", "SMILES:O=C(CCCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccccc4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQUXHQLLHPAZCU-UHFFFAOYSA-N", "SMILES:O=C(CCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccccc4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAESINCECWUSAR-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccccc4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633107", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWWYBSKGKHDTAX-UHFFFAOYSA-N", "SMILES:O=C(CCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4ccncc4)c3c2)[nH]n1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COAJSLOYKGAEOP-PKTZIBPZSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANLGFBKDJSWFQ-RPWUZVMVSA-N", "SMILES:COc1ccc([C@@H]2N[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)Cc3c2[nH]c2ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANLGFBKDJSWFQ-BJKOFHAPSA-N", "SMILES:COc1ccc([C@H]2N[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)Cc3c2[nH]c2ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVOLRHFIVLLKJX-HFJWLAOPSA-N", "SMILES:COc1ccc(CN2[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)Cc3c([nH]c4ccccc34)[C@@H]2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKITXXDALIHIEC-IAPPQJPRSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](C3CC3)N2Cc2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632603", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSUSUJKEPHDKQR-IAPPQJPRSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3)N2CC2CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEKGEIQCLVGOON-RDGATRHJSA-N", "SMILES:COc1ccc([C@@H]2N[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)Cc3c2[nH]c2ccccc32)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOVIGVIXXAMACE-PKTZIBPZSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFJFTKCOTYLIRE-UXHICEINSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](C3CC3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSYDKNXHXSELKW-YADHBBJMSA-N", "SMILES:O=C(NO)c1ccc(CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](C3CCCC3)N2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWMMNUNEVUJEKW-AREMUKBSSA-N", "SMILES:COc1ccc(CN2Cc3[nH]c4ccccc4c3C[C@@H]2C(=O)NCc2ccc(C(=O)NO)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANLGFBKDJSWFQ-DNQXCXABSA-N", "SMILES:COc1ccc([C@H]2N[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)Cc3c2[nH]c2ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBMGTNCGMBTDHW-RPBOFIJWSA-N", "SMILES:COc1ccc(C[C@H]2N[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)Cc3c2[nH]c2ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VANLGFBKDJSWFQ-ZEQRLZLVSA-N", "SMILES:COc1ccc([C@@H]2N[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)Cc3c2[nH]c2ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQKKUVSYKRLEBM-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C)CC4)cc3)oc2c1C1=CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZWIGGXZAHXJQJ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C(=O)CCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)oc2c1C1=CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFWXDCPSNQBESG-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C(=O)CCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)oc2c1C1=CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633695", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQQSEDLJEKUOJL-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C(=O)CCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)oc2c1C1=CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHSASJREAHHPFN-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C(=O)CCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)oc2c1C1=CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKTICNGJSMCNQK-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)oc2c1C1=CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYXVVDGNOBODDO-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)oc2c1C1=CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKUZIJSYSSHPA-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)oc2c1C1=CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOUBWYZPBMLTHG-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(CCC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)oc2c1C1=CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFJHBOPAJNRCRQ-UHFFFAOYSA-N", "SMILES:COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(CC5CCN(c6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)oc2c1C1=CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUDGSBQSVLZNC-UHFFFAOYSA-N", "SMILES:O=C(NCCCN1CCOCC1)c1ccccc1Nc1ccnc2ccc(Cl)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3229630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBYPVSPDWKEXRG-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4785751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LYDIXICMUJTETF-BQYQJAHWSA-N", "SMILES:CN(C)/C=C/C(=O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLDBIWUVQPDLCF-MDZDMXLPSA-N", "SMILES:Cc1cccc(N/C=C/C(=O)c2cc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFUVPEQVRKZHOJ-ZHACJKMWSA-N", "SMILES:Cc1ccc(N/C=C/C(=O)c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFVKDAJYKKGIAC-MDZDMXLPSA-N", "SMILES:CC(=O)c1cccc(N/C=C/C(=O)c2cc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXNADZLPDWDABM-ZHACJKMWSA-N", "SMILES:CC(=O)c1ccc(N/C=C/C(=O)c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVPGYPLEHWENM-MDZDMXLPSA-N", "SMILES:O=C(/C=C/Nc1ccccc1O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLPSXKAUKKFCBW-MDZDMXLPSA-N", "SMILES:O=C(/C=C/Nc1ccccc1C(=O)O)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZIVJVCEORDBMI-CMDGGOBGSA-N", "SMILES:O=C(O)c1cccc(N/C=C/C(=O)c2cc3ccccc3o2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633343", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RISAKFSKUDHMCF-MDZDMXLPSA-N", "SMILES:O=C(O)c1ccc(N/C=C/C(=O)c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQMJDLUSCZRNNI-VAWYXSNFSA-N", "SMILES:CCOC(=O)c1ccc(N/C=C/C(=O)c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQWXSMBKZVHACZ-MDZDMXLPSA-N", "SMILES:O=C(/C=C/Nc1ccc(F)cc1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632029", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXFZSBBMDRYVOL-MDZDMXLPSA-N", "SMILES:O=C(/C=C/Nc1ccc(Cl)cc1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZENRZRUXXSGAZ-CMDGGOBGSA-N", "SMILES:O=C(/C=C/Nc1cccc(Br)c1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVJIJRIXXCSZDK-MDZDMXLPSA-N", "SMILES:O=C(/C=C/Nc1ccc(Br)cc1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCUMPRJCUJOMCX-CMDGGOBGSA-N", "SMILES:O=C(/C=C/Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIOLNZGMDORAFI-MDZDMXLPSA-N", "SMILES:NS(=O)(=O)c1ccc(N/C=C/C(=O)c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632660", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPTMIJVHFKUGNK-MDZDMXLPSA-N", "SMILES:N=C(N)NS(=O)(=O)c1ccc(N/C=C/C(=O)c2cc3ccccc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWVYWLAAAPSHJQ-ZHACJKMWSA-N", "SMILES:Cc1cc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3cc4ccccc4o3)cc2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEQASZBFOFYPQC-WYMLVPIESA-N", "SMILES:O=C(/C=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633128", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIHKVBTUSAYHJH-JLHYYAGUSA-N", "SMILES:O=C(/C=C/Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2ccccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKVJPJJTLCWVRQ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(C(=O)NCC2(Nc3ccccc3)CCN(CCc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XAVCKRGERLVEQY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)NCC2(Nc3ccccc3)CCN(CCc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTSHIZSHGRHMGT-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=S)NCC2(Nc3ccccc3)CCN(CCc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLOUTWCMJATIRY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(SCc2ccc(C(=O)N(c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJDJTTRLNHZDIK-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc([Se]Cc2ccc(C(=O)N(c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFSEIAZYYPLOJ-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CCC(Nc3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJMWMNBVLAUFIE-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC2CCN(CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633597", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJVPQAYMMXRFW-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CCC(Nc3ccc4ccccc4c3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNIHOYJSSVAYLG-UHFFFAOYSA-N", "SMILES:N#CC1(Nc2ccccc2)CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYSUGKGXHOFQNA-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC2(C#N)CCN(CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZGQGKCMEUZXLX-UHFFFAOYSA-N", "SMILES:N#CC1(Nc2ccc3ccccc3c2)CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633221", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEXZVHOUPRKREA-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUFQQKSCFXDDRU-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CCC(N(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNQGAZGWTZVETD-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CCC(N(C(=O)c3c(F)c(F)c(F)c(F)c3F)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSYRXVWVZALKBR-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZEOQEAZVLCUJM-DTQAZKPQSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CCC(N(C(=O)/C=C/c3ccccc3)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWVZNCUGKXSBBR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(CCN2CCC(N(C(=O)CCl)c3ccccc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWSJYIQJLUHUFH-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLRYJKMKKSIRV-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccc(C)cc1)C1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRQJYHJWUHJYHG-UHFFFAOYSA-N", "SMILES:CCC(=O)N(c1ccc2ccccc2c1)C1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKDDJJYFWGGPKO-UHFFFAOYSA-N", "SMILES:NC(=O)C1(Nc2ccccc2)CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHEAMFYXJIKCRE-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDVLOKNHMBINOL-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)c1ccc(Nc2ncnc3[nH]ccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFPZHQLESGVWLH-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIVMLVCBASNGOD-UHFFFAOYSA-N", "SMILES:Cn1nccc1-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKJGQUKCSFUSSR-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCN3CCNCC3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBWPDGVSAGVHNU-UHFFFAOYSA-N", "SMILES:NC1CCN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIWJMYEKCKAGE-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NC3CCCNC3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEPAUVGOFJRGDJ-UHFFFAOYSA-N", "SMILES:NC1CCCC(Nc2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBZYJNFYYCFLPT-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCCC3CCCCN3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXFIRFBICLGSKJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NC3CCNCC3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWGQXUZVQQYMAW-UHFFFAOYSA-N", "SMILES:NC1(CO)CCN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYLSWZBOJHWOM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCC3NCCc4ccccc43)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631331", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUKUENUIYRYZFX-UHFFFAOYSA-N", "SMILES:NCC1CCN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICZZUHCBJJZPDA-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CC4CCNCC4C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMOQDKDVYOJVKI-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CC4CCNC4C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631580", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQRQNVZRRXLEQG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCC3CCCNC3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANSSNGAGSHAKFH-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCC3CCNC3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIQFFZZACQBACM-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CCC4(CNC4)C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPEWBXWOVJKGSR-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CC4(CNCCO4)C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKVAFVPTGCQMZ-UHFFFAOYSA-N", "SMILES:NC12CC(CNc3nc4nc(Sc5cccnc5C(F)(F)F)cnc4[nH]3)(C1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOBJJPFZXSADQR-UHFFFAOYSA-N", "SMILES:NC1CC2CC(C1)N(c1nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJORJNQHHXWSX-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NC3CCNC4(CCC4)C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKTCGRCQSUTLJW-DYZYQPBXSA-N", "SMILES:NC[C@]12CN(c3nc4nc(Sc5cccnc5C(F)(F)F)cnc4[nH]3)C[C@H]1CS(=O)(=O)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAAHDAPCWWQWGS-UHFFFAOYSA-N", "SMILES:COC1(CCN)CN(c2nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNVIYFOBMQOGPU-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CCC4NCCCC4C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDIALQWZJVUHLJ-UHFFFAOYSA-N", "SMILES:NCC1CCCC12CCN(c1nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5629962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBNYJEQSEGPEHB-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CC45CCCC4(CNC5)C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTMBGSLRCEMDQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CCCC(C4CNC4)C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632290", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGXMTOYLDGGBIJ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(N3CCC4CCC(C3)N4)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYNSJHGPIFWRKS-UHFFFAOYSA-N", "SMILES:CC1(C)C2CNCC1CN(c1nc3nc(Sc4cccnc4C(F)(F)F)cnc3[nH]1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMABQGNHADJPCX-UHFFFAOYSA-N", "SMILES:COc1ccc(N2CCC3(CCN(c4nc5nc(Sc6cccnc6C(F)(F)F)cnc5[nH]4)C3)C2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNLHKIZYUAZEQ-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NCC3CNC(c4ccccc4)C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNLHKIZYUAZEQ-UKRRQHHQSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NC[C@H]3CN[C@@H](c4ccccc4)C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZNLHKIZYUAZEQ-DZGCQCFKSA-N", "SMILES:FC(F)(F)c1ncccc1Sc1cnc2[nH]c(NC[C@@H]3CN[C@@H](c4ccccc4)C3)nc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHVSCTHNHOTXLK-UHFFFAOYSA-N", "SMILES:CN(CC1CNC(c2ccccc2)C1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMZMMIJKCGAJGG-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCc1ccc2oc3c(Cl)cccc3c(=O)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMNJCNBGOHRLZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNCc2ccc3oc4c(Cl)cccc4c(=O)c3c2)cc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXKVGMQZHZVEJF-UHFFFAOYSA-N", "SMILES:COc1ccccc1CCNCc1ccc2oc3c(Cl)cccc3c(=O)c2c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZHJLQXVIAFXQV-UHFFFAOYSA-N", "SMILES:COc1cccc(N2CCN(Cc3ccc4oc5c(Cl)cccc5c(=O)c4c3)CC2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REYWSFQWFBSMCB-UHFFFAOYSA-N", "SMILES:COc1ccccc1N1CCN(Cc2ccc3oc4c(Cl)cccc4c(=O)c3c2)CC1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQUUPEUKONCIQM-UHFFFAOYSA-N", "SMILES:COc1ccc(OC)c(CN2CCN(Cc3ccc4oc5c(Cl)cccc5c(=O)c4c3)CC2)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYTNAVCPRBXIHQ-PMACEKPBSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N[C@H]2CCC[C@@H]2Nc2cnc3ccccc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3922313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMIWZAWCWVRGMD-IRXDYDNUSA-N", "SMILES:CC(C)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3957941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAXRXPQAVVNYLR-KBPBESRZSA-N", "SMILES:O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ccccc1-n1nccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJDXJRFAVKFQKJ-IRXDYDNUSA-N", "SMILES:Cc1ccc(-n2nccn2)c(C(=O)N[C@H]2CCC[C@@H]2Nc2nc3ccc(F)cc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3941690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMHQKDBOHKCIIS-KXBFYZLASA-N", "SMILES:C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3932722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNZFNWZMBMDMAR-UGSOOPFHSA-N", "SMILES:C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3954899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCWBNNAUBOUGBI-GJZGRUSLSA-N", "SMILES:Cc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3927726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRFVHLBWQUXKCB-HOTGVXAUSA-N", "SMILES:CCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3963632", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVMCNVWYIACSPG-STQMWFEESA-N", "SMILES:Cc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3958101", "category": ["biolink:ChemicalEntity"], "name": "CVN-766", "xref": ["InChIKey:UFGCLPDMIZHEED-KBPBESRZSA-N", "SMILES:CCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1"], "synonym": ["Cvn-766", "Cvn766"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFGCLPDMIZHEED-ZIAGYGMSSA-N", "SMILES:CCc1nc(C(F)(F)F)cnc1N[C@@H]1CCC[C@H]1NC(=O)c1ncccc1-n1nccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WNYKGJHEQVIFGL-OAHLLOKOSA-N", "SMILES:C[C@H](c1ccccc1)N1c2cc(-n3c(=O)[nH]c4ncccc43)ccc2C(=O)NC1(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633970", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HROZDVMZVQYSLV-UHFFFAOYSA-N", "SMILES:CN1CCCCOc2ccnc3[nH]c(=O)n(c23)-c2cc1ccc2Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YELAWQNBZMBKBU-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)c2ccc3cc2N1CCCCOc1ccnc2[nH]c(=O)n-3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631515", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKMXMSATAIWGAR-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)c2ccc3cc2N1CCCOc1ccnc2[nH]c(=O)n-3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZTQRSJQRWBYFW-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)c2ccc3nc2N1CCCCOc1ccnc2[nH]c(=O)n-3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEUDUTKTUQTOGI-UHFFFAOYSA-N", "SMILES:CC1(C)NC(=O)c2ccc3nc2N1CCCOc1ccnc2[nH]c(=O)n-3c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632236", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWMGVMIQUFQRRV-UHFFFAOYSA-N", "SMILES:CC1CCN2c3nc(ccc3C(=O)NC2(C)C)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRLAZEXNSOLGPZ-UHFFFAOYSA-N", "SMILES:CN1CCCCOc2ccnc3[nH]c(=O)n(c23)-c2ccc(C(N)=O)c1n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDVLYXUHXUPRHC-UHFFFAOYSA-N", "SMILES:NC(=O)c1ccc2nc1OCCCCOc1ccnc3[nH]c(=O)n-2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTRUTBCNJSOKHT-UHFFFAOYSA-N", "SMILES:CC1CCCOc2nc(ccc2C(N)=O)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHUUGFXCEGPDQR-UHFFFAOYSA-N", "SMILES:CC1CCC(C)Oc2ccnc3[nH]c(=O)n(c23)-c2nc(c(C(N)=O)cc2F)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCNNETVWUTUION-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(-c2ncc[nH]2)c2nc1OCCCCOc1ccnc3[nH]c(=O)n-2c13"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEMUDBYUNXBGE-UHFFFAOYSA-N", "SMILES:CC1CCCOc2nc(c(-c3ccn[nH]3)cc2C(N)=O)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTPVXMRXSDCNNW-UHFFFAOYSA-N", "SMILES:CC1CCCOc2nc(c(-c3cnc[nH]3)cc2C(N)=O)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTLCUINLPKLTDS-UHFFFAOYSA-N", "SMILES:CC1CCCOc2ccnc3[nH]c(=O)n(c23)-c2nc(c(C(N)=O)cc2-c2ncc[nH]2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLAOGTKMNBBWTL-UHFFFAOYSA-N", "SMILES:CC1CCCOc2nc(c(-c3nnc[nH]3)cc2C(N)=O)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJWZVHYJFAASMX-UHFFFAOYSA-N", "SMILES:O=c1[nH]c2nccc3c2n1-c1cccc(n1)OCCCCO3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVYRMBWTKGWEFU-UHFFFAOYSA-N", "SMILES:CC1CCCOc2cccc(n2)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHNAOUAXXNYCRS-UHFFFAOYSA-N", "SMILES:CC1CCCOc2ccnc3[nH]c(=O)n(c23)-c2cccc(n2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDINNWICAGKAOR-UHFFFAOYSA-N", "SMILES:CC1CC(C)Oc2ccnc3[nH]c(=O)n(c23)-c2cccc(n2)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631596", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBCGFUOIUKVIQ-UHFFFAOYSA-N", "SMILES:O=c1ccn2c3nc(ccc13)-n1c(=O)[nH]c3nccc(c31)OCCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYMCAIGTNRBMBV-UHFFFAOYSA-N", "SMILES:CC1CCCOc2ccnc3[nH]c(=O)n(c23)-c2ccc3c(=O)ccn1c3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPCMJYEMFDPOQ-UHFFFAOYSA-N", "SMILES:CC1CCCn2ccc(=O)c3ccc(nc32)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633180", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGNGZCWJFMTGIR-UHFFFAOYSA-N", "SMILES:CC1CCC(C)n2ccc(=O)c3ccc(nc32)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XQBPWCQPNPQVID-UHFFFAOYSA-N", "SMILES:CC1CCC(C)n2ccc(=O)c3cc(F)c(nc32)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOYAHXZNMXHPNA-UHFFFAOYSA-N", "SMILES:CC1CCn2ccc(=O)c3cc(F)c(nc32)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQOOLLWMVHTWOY-UHFFFAOYSA-N", "SMILES:CC1CCN(C)c2ccnc3ccc(nc23)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HUWJTNZRWNYRJP-UHFFFAOYSA-N", "SMILES:CC1CCOc2ccnc3ccc(nc23)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPZGIXPLPSHEHY-UHFFFAOYSA-N", "SMILES:CC1CCCOc2ccnc3[nH]c(=O)n(c23)-c2ccc3nccc1c3n2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZUVPYWZPMECBT-UHFFFAOYSA-N", "SMILES:CC1CCC(C)c2ccnc3ccc(nc23)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQVFPCZFZOPCW-UHFFFAOYSA-N", "SMILES:CC1CCN(C)c2ccnc3cc(F)c(nc23)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631499", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWZYAJQDNYIAOM-UHFFFAOYSA-N", "SMILES:CC1CCN(C)c2c(F)cnc3cc(F)c(nc23)-n2c(=O)[nH]c3nccc(c32)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBTXDHMFJRJERV-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNCCO)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYCFRMUCPXWMLB-WSDLNYQXSA-N", "SMILES:C=CCNC(=S)N/N=C/c1ccc(OC)c(OCc2ccccc2F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUCQLBMTYZZXGE-UHFFFAOYSA-N", "SMILES:CCC(SC1=NC(c2ccccc2)C(c2ccccc2)N1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2314706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZIUJYWBTVKNCAJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)c2coc3c2cc(O)c2ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632355", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBOZXCCDYWBYLK-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHFMPIJITCFEFT-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(Cl)cc1)c1coc2c1cc(O)c1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLDJIZTUCUGOME-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNTPKAPPCZFWIP-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-c2sncc2-c2ccc(F)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632446", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVEKNNGACRPSSK-UHFFFAOYSA-N", "SMILES:CC(=O)CCC1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJCAWGSSRLDIKP-UHFFFAOYSA-N", "SMILES:O=C1C=C(C2CC2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631229", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVVAQQYFOUVCHP-UHFFFAOYSA-N", "SMILES:O=C1C=C(C2CCC2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL531383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTIVMHQHPSUHGV-UHFFFAOYSA-N", "SMILES:CCSC1=CC(=O)c2ccccc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL269468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZIOOUBKJSECZ-UHFFFAOYSA-N", "SMILES:O=C1C=C(Sc2ccccc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL256155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCWKLNZSXHXPMB-UHFFFAOYSA-N", "SMILES:O=C1C=C(Oc2ccccc2)C(=O)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632090", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEBOOLVJJQETGD-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)Nc2cn(Cc3ccccc3)nn2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPNAWNJZRJOUFH-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)Nc2ncn(Cc3ccccc3)n2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJVNPFYRWGDAR-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)Nc2nnn(Cc3ccccc3)n2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBPJDZXIGQTDNJ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)Nc2cn(Cc3ccccc3)cn2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWSFGCCEHGPNJJ-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)Nc2ncc(Cc3ccccc3)o2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEZMFNLTXDTJOC-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)Nc2ncc(Cc3ccccc3)s2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRVHQCPGPIAAIE-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)Nc2cn(Cc3c(F)cccc3F)cn2)CCc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILRRSMUWXSAZAY-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)Nc2cn(Cc3ccccc3)cn2)CCc2cccnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633109", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OUNRZJOLEXJQGR-UHFFFAOYSA-N", "SMILES:CN1C(=O)C(C(=O)Nc2cn(Cc3ccccc3)cn2)CCc2ccncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRCCLTOULXBLCR-UHFFFAOYSA-N", "SMILES:COc1cc2c(cn1)N(C)C(=O)C(C(=O)Nc1cn(Cc3ccccc3)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWVBFSQTTNHODF-UHFFFAOYSA-N", "SMILES:COc1cc2c(cn1)N(C)C(=O)C(C(=O)Nc1ncc(Cc3ccccc3)s1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWVBFSQTTNHODF-QGZVFWFLSA-N", "SMILES:COc1cc2c(cn1)N(C)C(=O)[C@@H](C(=O)Nc1ncc(Cc3ccccc3)s1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWVBFSQTTNHODF-KRWDZBQOSA-N", "SMILES:COc1cc2c(cn1)N(C)C(=O)[C@H](C(=O)Nc1ncc(Cc3ccccc3)s1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXWCTZXJOHHXQX-ATVHPVEESA-N", "SMILES:COc1ccccc1/C=C1\\SC(=O)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZTRUHFXPVXWRD-DBSRCYSRSA-N", "SMILES:CCOc1cccc(F)c1C#Cc1cn([C@H]2O[C@@H](CNS(N)(=O)=O)[C@H](O)[C@@H]2O)c2ncnc(N)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4086524", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXZRHPHRSQJCML-UHFFFAOYSA-N", "SMILES:O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGQXEURDFYUXBA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cnc3c4ccc5cc(O)ccc5c4n(CCN(C)C)c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQRSROCIVAXIEA-UHFFFAOYSA-N", "SMILES:COc1cc2c(cnc3c4ccc5cc(O)ccc5c4n(CCCN4CCOCC4)c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNAAZATTWQVTAX-UHFFFAOYSA-N", "SMILES:COc1cc2c(cnc3c4ccc5cc(O)ccc5c4n(CCCN4CCC(N5CCCCC5)CC4)c23)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGEROMVWMJVAQM-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1O)c[n+]([O-])c1c3ccc4cc(O)ccc4c3n(C)c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1968672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCOXPBOKDABARQ-UHFFFAOYSA-N", "SMILES:CC(C)(CN1C(=O)C(Cl)=C(Cl)C1=O)CN1C(=O)C(Cl)=C(Cl)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1399711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJQADEHMIMENRE-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(O)c(-c3noc(-c4ccc(F)cc4)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1353989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRKAIFLXINCNLS-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(O)c(-c3noc(-c4ccccc4)n3)cc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1367248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPAUNLLZYZCXCT-HYARGMPZSA-N", "SMILES:Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3cccc(C(=O)O)c3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1091250", "category": ["biolink:ChemicalEntity"], "name": "INDIGOTINDISULFONATE", "xref": ["InChIKey:CFZXDJWFRVEWSR-BUHFOSPRSA-N", "SMILES:O=C1/C(=C2\\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21"], "synonym": ["5,5'-indigotindisulfonic acid", "Blue x", "Indigo carmine acid", "Indigotindisulfonate", "Indigotindisulfonic acid", "Saxon blue", "NSC-8646"], "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5634027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPRYGODSNUMPDF-YJWYTLFNSA-N", "SMILES:COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)c3ccc(Cn4nnc5c4-c4ccccc4CN(C(=O)CCCCC(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)c4ccccc4-5)cc3)C(C)C)cc2)[C@H](O)[C@H](C)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQTHWLLXOOESRA-CJFMBICVSA-N", "SMILES:COc1ccc([C@@H]2C3=C(O[C@H]2C(=O)c2ccccc2)C(=O)c2ccccc2C3=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBMGTVVPQDIEKJ-KBMIEXCESA-N", "SMILES:COc1c(F)cc([C@@H]2C3=C(O[C@H]2C(=O)c2ccccc2)C(=O)c2ccccc2C3=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHNUVLIIUBXURZ-CJFMBICVSA-N", "SMILES:COc1cc(F)c([C@@H]2C3=C(O[C@H]2C(=O)c2ccccc2)C(=O)c2ccccc2C3=O)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWRVFPVDZOIIBN-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C(OC(=O)c1ccccc1O)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1621346", "category": ["biolink:ChemicalEntity"], "name": "TANSHINONE IIA SULFONIC ACID", "xref": ["InChIKey:UJCACMLMPLLRGW-UHFFFAOYSA-N", "SMILES:Cc1c(S(=O)(=O)O)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1209728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AAPTVJGJZCKWPI-UHFFFAOYSA-N", "SMILES:Cc1c(Br)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631268", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIKMYSCBTARFDV-UHFFFAOYSA-N", "SMILES:CC(=O)OC1CCC(C)(C)c2ccc3c(c21)C(=O)C(=O)c1c(C)coc1-3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHEWMMAATHANTO-JXMROGBWSA-N", "SMILES:COc1cc(/C=C/C(=O)OC2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMNKTXGFSXCPSF-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C(OC(=O)CCCCC1CCSS1)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEGZVKCSHZJYOH-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C(OC(=O)c1cc(Cl)ccc1Cl)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058134", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUNCXACQSGLKIZ-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C(OC(=O)c1ccc(O)cc1)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2058133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMKSUIQWGPATJR-UHFFFAOYSA-N", "SMILES:Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C(OC(=O)c1cccc(O)c1)CCC2(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634031", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PSAJCYLXNSDJCJ-NXQCLTBJSA-N", "SMILES:C[C@@H]1/C=C/CC/C=C/C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](O)[C@H]2O)CC1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5631735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBONAGLUGPNTRL-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCn1cc(-c2ccc(Cn3ccc(N)nc3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGGNKVFQLJCYFV-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCn1cc(-c2ccc(Cn3ccc(N)nc3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCJRHQGUPXRGPU-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCn1cc(-c2ccc(Cn3ccc(N)nc3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHURSBASCCJOTO-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3ccc(N)nc3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVTGEFYDWABGJI-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3cc(F)c(N)nc3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CIHZJKBAQZPNSV-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3cc(C)c(N)nc3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAGLORMFAPUGBI-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3cnc4c(N)ncnc43)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRZJHSYAMIXFJO-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3ccc(=O)[nH]c3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSHHPAAIYBMCCR-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCn1cc(Cn2ccc(N)nc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEUGIBOOKVQJKX-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCn1cc(Cn2cc(C)c(N)nc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631678", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTSATYGVSOIHFH-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCCn1cc(-c2ccc(Cn3cnc(N)nc3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633742", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRFPHCVOMSYUJA-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCn1cc(Cn2cnc(N)nc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKFPUGADUNFFBZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCn1cc(Cn2cc(F)c(N)nc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5634000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQGNVOWVVGWARB-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCn1cc(Cn2cnc3c(N)ncnc32)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDUQZCHLRKUKRK-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCn1cc(Cn2ccc(=O)[nH]c2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632384", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRBRAKICWHHIRM-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCn1cc(Cn2cnc(N)nc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXQSHVRDAMYYEC-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCCn1cc(Cn2cnc(N)nc2=O)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFVDKZBLGLAOQA-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCn1cc(-c2ccc(Cn3cnc(N)nc3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWWKWCNEKKUGTH-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCn1cc(-c2ccc(Cn3cnc(N)nc3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633545", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIVCBALQCUXYTE-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCCCCn1cc(-c2ccc(Cn3cnc(N)nc3=O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDKKFOYKVWQPC-UHFFFAOYSA-N", "SMILES:Nc1ccn(Cc2ccc(-c3cn(CCCC(=O)O)nn3)cc2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRBRFAMPTVLJNM-UHFFFAOYSA-N", "SMILES:Nc1ccn(Cc2ccc(-c3cn(CCCCC(=O)O)nn3)cc2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633298", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUCMRACQONYSQZ-UHFFFAOYSA-N", "SMILES:Nc1ccn(Cc2ccc(-c3cn(CCCCCC(=O)O)nn3)cc2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKICEYORQFKXHA-UHFFFAOYSA-N", "SMILES:Nc1ccn(Cc2ccc(-c3cn(CCCCCCC(=O)O)nn3)cc2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKIOTFFUQPZFMB-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(Cn3ccc(N)nc3=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAUOFHFMIBJFQZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(Cn3cnc(N)nc3=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631943", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTDMZSOSBSTHBY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(Cn3cc(F)c(N)nc3=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJLXPCAQYYLAIH-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(Cn3cnc4c(N)ncnc43)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPEDHJMADMEPKM-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(Cn3ccc(=O)[nH]c3=O)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXDZPTKSXBWBPS-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4ccc(N)nc4=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFXYLXMCWNEYOX-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4cnc(N)nc4=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOUZJJMMRKGQMY-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4cc(F)c(N)nc4=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PENXWRKKQFOSAZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4cc(C)c(N)nc4=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPQSVVXPXCFAOO-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4cnc5c(N)ncnc54)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633771", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HKZIOKWWAXBCCU-UHFFFAOYSA-N", "SMILES:COC(=O)c1ccc(CCCCn2cc(-c3ccc(Cn4ccc(=O)[nH]c4=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DCWVTUBLCMAAOD-UHFFFAOYSA-N", "SMILES:Nc1ccn(Cc2ccc(-c3cn(CCCCc4ccc(C(=O)O)cc4)nn3)cc2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVMWKVYCYAPBO-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)n(Cc2ccc(-c3cn(CCCCc4ccc(C(=O)O)cc4)nn3)cc2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDPKZCLWSCAQQC-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2Cc1ccc(-c2cn(CCCCc3ccc(C(=O)O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HGXDSKUIYFKNJZ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc(CCCCn2cc(-c3ccc(Cn4ccc(=O)[nH]c4=O)cc3)nn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLZLOMITQVZSU-UHFFFAOYSA-N", "SMILES:Nc1ccn(Cc2cn(CCCCc3ccc(C(=O)O)cc3)nn2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5631955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLEALCABCYCHJO-UHFFFAOYSA-N", "SMILES:Nc1ncn(Cc2cn(CCCCc3ccc(C(=O)O)cc3)nn2)c(=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRUUYELLLOYQEB-UHFFFAOYSA-N", "SMILES:Nc1nc(=O)n(Cc2cn(CCCCc3ccc(C(=O)O)cc3)nn2)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5633482", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BESDVXOCSMOARP-UHFFFAOYSA-N", "SMILES:Cc1cn(Cc2cn(CCCCc3ccc(C(=O)O)cc3)nn2)c(=O)nc1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZFOHJPLJMRSRQ-UHFFFAOYSA-N", "SMILES:Nc1ncnc2c1ncn2Cc1cn(CCCCc2ccc(C(=O)O)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5632543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRVJKILQRBSEAG-LNYMIDHXSA-N", "SMILES:CNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZRONBNNIUTGAV-UHFFFAOYSA-N", "SMILES:Cc1ccccc1-c1ccc2[nH]nc(CN(C)C)c2c1"]}
{"name": "Glycylpeptide N-tetradecanoyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL5725185"], "id": "UniProtKB:Q9U419", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5833"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLXVUJJIWWADOO-UHFFFAOYSA-N", "SMILES:Cc1ncc(CNC(=O)C2CN(c3nc(NCCN(C)C)ncc3Cl)C2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647296", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALMPYYUVDQUXFO-UHFFFAOYSA-N", "SMILES:CN(C)CCNc1ncc(Cl)c(N2CC(C(=O)NCc3ccc(F)cc3F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647311", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YATMYESPQRFXQF-YFVAEKQCSA-N", "SMILES:COc1ccc([C@H]2CN(C(=O)C[C@H](N)Cc3ccc(Cl)cc3)C[C@@H]2CO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3344386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQJDOYKPKPJIFW-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(F)cc1)Nc1ccc2[nH]cc(C3CCNCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639995", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPEZKMWVHQXQCY-UHFFFAOYSA-N", "SMILES:c1cncc(CCNCc2cccc(-c3cccc(CN4CCc5ncsc5C4)c3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLJCVRXGZMOFDS-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCC2CCN(C)CC2)cc1Cl"]}
{"name": "Glycylpeptide N-tetradecanoyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL1949483"], "id": "UniProtKB:Q4Q5S8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:5664"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3358111", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFUKSJMPHXRAHE-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(CCCC2CCN(C)CC2)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1951105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHWPTZQYVNRXMX-UHFFFAOYSA-N", "SMILES:COc1cc(C)c(S(=O)(=O)Nc2c(C)nn(C)c2C)c(C)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZEHAYKFXJBMEQ-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)COc3c(CCCCC4CCNCC4)cccc32)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646447", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYLXLMSKBZNOIU-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)COc3c(CCCCC4CCCN(C)CC4)cccc32)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639260", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLLFASWJHIFSDS-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)COc3c(CCCCC4CCN(C)CC4)cccc32)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUQZQEPHJBCOAH-IBGZPJMESA-N", "SMILES:Cc1cc(CN2C(=O)COc3cc(CCCOC[C@@H]4CCCN4C)ccc32)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641635", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IBJBISFRHZNHQQ-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)COc3cc(CCCOC4CCNCC4)ccc32)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCGQNNSUCNJBSC-UHFFFAOYSA-N", "SMILES:Cc1cc(CN2C(=O)COc3cc(CCCCC4CCN(C)CC4)ccc32)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAKDJACCGDDNAP-TYKWCNGQSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)[C@H]1CC[C@@H](NCc2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPSFDUDVAOWTIE-RVWIWJKTSA-N", "SMILES:O=C(Nc1nc2cc(F)ccc2s1)[C@H]1CC[C@@H](NCc2ccc3ccccc3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQMMCLGQUZHRAX-QUCCMNQESA-N", "SMILES:CN(C)C(=O)c1ccc2nc(NC(=O)[C@@H]3CCC[C@H](NCc4ccc5ccoc5c4)C3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL603043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOIQFRAQHUFMLN-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc([N+](=O)[O-])cc2O)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUKNBZPXSLZPIG-UHFFFAOYSA-N", "SMILES:Cc1nn(C)c(C)c1Cc1nnc(-c2sc3ccccc3c2NC2CCNCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVRFOVZVAWIPDE-ZEQRLZLVSA-N", "SMILES:NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1"]}
{"name": "Glycylpeptide N-tetradecanoyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4296287"], "id": "UniProtKB:A5K1A2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:126793"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647037", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXICHRIOFQGVQP-RRPNLBNLSA-N", "SMILES:O=C1[C@H](Cc2cnc[nH]2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGLYVDBOMUQXQM-XZWHSSHBSA-N", "SMILES:O=C1[C@H](Cc2ccccc2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABVPTFNPWNZNJ-RRPNLBNLSA-N", "SMILES:CC(C)C[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccccc3)CCC(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFHDXOMADNOWJH-OEQAEZTDSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccccc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639536", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHVWPDZUNFIMII-IZZNHLLZSA-N", "SMILES:CSCC[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccccc3)CCC(=O)N21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639332", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVIOWIWZGVQPDI-OQTGDVNSSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)CCc3ccccc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639553", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JFYUDMZEVWTQHO-HAALKUMUSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)CCc3ccc(F)cc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647348", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOIBADIHPPUWAC-CYSDGLOUSA-N", "SMILES:CCCCNC(=O)N1CCC(=O)N2[C@@H]([C@@H](C)CC)C(=O)N(Cc3cccc4ccccc34)C[C@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCMSQZCZEJLHKN-OEQAEZTDSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCC3CCCCC3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIPGQCLYBCASRL-GFNGZDJJSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(Cl)cc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXPDBCOMEKQMAR-GFNGZDJJSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(Br)cc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVHFRXVNALVZSK-GFNGZDJJSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(I)cc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSMOWNZRBVKGGT-JWMKGCOUSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(C)cc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQFQVNPWOAGWMN-PEXXQYNDSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(OC)cc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUQXRLABAASWPP-GFNGZDJJSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(C(F)(F)F)cc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639171", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ARJKRGUDNFARHP-JWMKGCOUSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NC(C)(C)c3ccccc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639108", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUIMSXATWGRXSQ-QBLOJZIGSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(F)c(F)c3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUUALDWFWALXGE-QBLOJZIGSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(F)c(Cl)c3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRQYNJGGBQTOOG-QBLOJZIGSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(F)c(Br)c3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFQRNCATHTVBKI-XHGLXQHVSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(F)c(OC)c3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFPQBPMBKWWCPD-QBLOJZIGSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(F)cc3Cl)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639267", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNFGSFYPACBPIA-QBLOJZIGSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(Br)cc3F)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVZDYLUTQXXDMR-IRTCRQIFSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3cc(F)c(F)c(F)c3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUBRZMIEDNCUFE-IRTCRQIFSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3cc(F)c(Br)c(F)c3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRTLJXDJHMQUFH-SYWSQECDSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3c(F)c(F)c(F)c(F)c3F)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHMQHDGOZOOPDU-XHGLXQHVSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc4c(c3)OCO4)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGYTGSROYZLCT-QNLIWJCUSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3ccccc23)C[C@@H]2N(C(=O)NCc3ccc4ccccc4c3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEEPECBPWJVTQG-YJGRUCBDSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2cccc3c2OCO3)C[C@@H]2N(C(=O)NCc3ccc(Br)cc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEYTVXKXZOIAGM-QBLOJZIGSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2ccc(F)c3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(Br)cc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFXGQLLQQPADFS-XHGLXQHVSA-N", "SMILES:CC[C@H](C)[C@H]1C(=O)N(Cc2ccc(OC)c3ccccc23)C[C@@H]2N(C(=O)NCc3ccc(Br)cc3)CCC(=O)N12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646760", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHEVUEZMGNBNFK-UHFFFAOYSA-N", "SMILES:CCCC(CCc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL560403", "category": ["biolink:ChemicalEntity"], "name": "DEOXYCYTIDINE TRIPHOSPHATE", "xref": ["InChIKey:RGWHQCVHVJXOKC-SHYZEUOFSA-N", "SMILES:Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1230", "category": ["biolink:ChemicalEntity"], "name": "LAMIVUDINE TRIPHOSPHATE", "xref": ["InChIKey:YLEQMGZZMCJKCN-NKWVEPMBSA-N", "SMILES:Nc1ccn([C@@H]2CS[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1"], "synonym": ["3tc triphosphate", "3tc-tp", "Lamivudine 5'-triphosphate", "Lamivudine triphosphate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL341421", "category": ["biolink:ChemicalEntity"], "name": "EMTRICITABINE 5'-TRIPHOSPHATE", "xref": ["InChIKey:WIEOLFZNMKSGEX-NTSWFWBYSA-N", "SMILES:Nc1nc(=O)n([C@@H]2CS[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1F"], "synonym": ["Emtricitabine 5'-triphosphate", "Emtricitabine triphosphate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJTZZWXWVCYKTN-UHFFFAOYSA-N", "SMILES:CCCC(CCc1ccccc1)C1CC(O)=C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQNBYPBKWWGGC-MPXLCVCVSA-N", "SMILES:CCC[C@H](CCc1ccccc1)C1CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSBWKGLVMNROFG-NEEKEDPPSA-N", "SMILES:CCC[C@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSBWKGLVMNROFG-HVNZXBJASA-N", "SMILES:CCC[C@]1(CCc2ccccc2)CC(O)=C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSBWKGLVMNROFG-SUYBVONHSA-N", "SMILES:CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)C(=O)O1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2011438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYTDFOKICJWGHE-UHFFFAOYSA-N", "SMILES:Cc1nc2cnccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3799799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTBMGQICBMRHTA-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646686", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWIFUZORWEWKP-UHFFFAOYSA-N", "SMILES:Cc1nc2ccccc2n1C1CCN(CCC(NC(=O)c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWIFUZORWEWKP-SANMLTNESA-N", "SMILES:Cc1nc2ccccc2n1C1CCN(CC[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZWIFUZORWEWKP-AREMUKBSSA-N", "SMILES:Cc1nc2ccccc2n1C1CCN(CC[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2203614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALDSFVOFVJGKIF-DEOSSOPVSA-N", "SMILES:Cc1nc2ccccc2n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZCJCPMLMYYDQU-HLMSNRGBSA-N", "SMILES:Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL573644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKTKEWPOYRLFDK-ZROIWOOFSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cccn1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL499273", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZATVFZMUEJNYTF-ZSOIEALJSA-N", "SMILES:O=C(O)/C(O)=C/C(=O)c1cccn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AUCNOEVVTZMYMI-GKRYNVPLSA-N", "SMILES:CC(C)(C#Cc1ccc(-c2ccc(Cl)c3c(NS(=O)(=O)C4CC4)nn(CC(F)F)c23)c([C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641551", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHNNWZOVCRQAAH-UHFFFAOYSA-N", "SMILES:Cc1ccn2c(C(=O)C(=O)c3ccccc3)c(-c3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZMAOGLWCNTFCG-UHFFFAOYSA-N", "SMILES:CC(C)CCNC(=O)c1ccc2c(c1)nc(Nc1n[nH]c3ccc(-c4ccccc4OC(F)(F)F)cc13)n2C1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647357", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBTDRPBKISKELY-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc(CN2CCNCC2)c(C(F)(F)F)c1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639354", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCFCQFGVNHHQKA-GASCZTMLSA-N", "SMILES:CCO[C@H]1CC[C@@H](n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3nc(F)ccc3F)n2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639235", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMSRKQWPLRONBU-UHFFFAOYSA-N", "SMILES:CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C3COC3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RESRNTSDKPWJNP-UHFFFAOYSA-N", "SMILES:Cc1cc(-c2nc(C(=O)Nc3cc4cn(CCC(C)(C)O)nc4cc3C(C)(C)O)co2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UPRSMFSVVWXPPV-KKUMJFAQSA-N", "SMILES:CN(C)[C@H]1CC[C@H](Oc2ncnc3sc4c(c23)[C@@H](CCC#N)CC4)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZGLLUROZWHLOJ-UHFFFAOYSA-N", "SMILES:O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCOCCCc2cc(ccn2)-c2nc1cs2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQGLEZDWHPDRDX-AJZOCDQUSA-N", "SMILES:CCOc1nn(-c2ccccc2)c(NC(=O)NC2CN(CCOC)C[C@H]2c2ccc(F)c(F)c2)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTBKJONFCKZNBH-UHFFFAOYSA-N", "SMILES:CC(Nc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKFTWZDCRUHOCZ-UHFFFAOYSA-N", "SMILES:CC(Nc1cc(-c2cnn(CCCO)c2)cnc1N)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVYDUSJLWJOYTA-UHFFFAOYSA-N", "SMILES:CC(Nc1cc(-c2cnn(C3CCN(C)CC3)c2)cnc1N)c1cc(F)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647177", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQZPUIVSWOXQBJ-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1NCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYXPGJRXODOLOR-UHFFFAOYSA-N", "SMILES:Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(Cl)cc2)ccc1Nc1cccc2c1OC(C)(C)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4437605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYIANZRYPSGDFM-HNNXBMFYSA-N", "SMILES:Cc1cc(-n2cc(C(=O)N3CCOCC3)c3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUQWLTSZFLUELP-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]cc(-c4ccc(N5CCOCC5)nc4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647196", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHYKCYPTCMJMTA-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cc(-c2cnc3[nH]cc(-c4cnn(CCN5CCOCC5)c4)c3c2)cnc1Cl)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4084988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTJDHZDARQGLCW-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CCCNC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4082422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAGZBPRGFBEYDJ-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n(C3CCCNC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4100435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPFTYTXJRHGYBP-UHFFFAOYSA-N", "SMILES:NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CC3)n(C3CCCNC3)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYGSDMFSKFBVOM-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(NC(=O)CCl)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4779058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGJPXOEWSLROI-UHFFFAOYSA-N", "SMILES:O=C1CN(C(=O)CCl)c2ccccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647319", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSBGCQDGMLJAGT-UHFFFAOYSA-N", "SMILES:O=C(CCl)Nc1ccc(NC(=O)c2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641655", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCYKAKLBUXPOIM-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCl)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5642543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCGLJIKWBLMOBK-UHFFFAOYSA-N", "SMILES:CN1C(=O)CN(C(=O)CCl)c2ccc(Br)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOGHGBCRVSBUHH-GOYXDOSHSA-N", "SMILES:CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)O)C(C)C)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4800114", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRIPRMGRQRYRRG-UHFFFAOYSA-N", "SMILES:FC(F)(F)c1cnc(N2CCNCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNESUARQWHBJBR-UHFFFAOYSA-N", "SMILES:Clc1cc(I)cnc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639733", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTVCRQQSDOZEPA-UHFFFAOYSA-N", "SMILES:NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUSJNBGZFRYQBE-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cnc(N2CCNCC2)c(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWKRFIBQJRXXKD-UHFFFAOYSA-N", "SMILES:Cl.FC(F)(F)c1cc(I)cnc1N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZUCVSFMLCXCPZ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cnc(N2CCNCC2)c(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLBWNSBIHBIQDM-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cnc(N2CCNCC2)c(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAORPCOXULJVQN-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cnc(N2CCNCC2)c(Cl)c1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBMIGTOTFVZGFF-UHFFFAOYSA-N", "SMILES:O=C(O)C(F)(F)F.O=C(Oc1ccccc1)c1cnc(N2CCNCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646640", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVCROMPAAYIYDD-UHFFFAOYSA-N", "SMILES:Cl.O=C(OCc1ccccc1)c1cnc(N2CCNCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNGICVZHVXCQKU-UHFFFAOYSA-N", "SMILES:Cl.O=C(OCCc1ccccc1)c1cnc(N2CCNCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTNHWVLWPMPFRO-UHFFFAOYSA-N", "SMILES:Cl.O=C(OCCCc1ccccc1)c1cnc(N2CCNCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646496", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKQBSWGNHZXAHN-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCc1cccc(OC(=O)c2cnc(N3CCNCC3)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLGSVMAXNGITGN-UHFFFAOYSA-N", "SMILES:Cl.O=C(Oc1cccc(CO)c1)c1cnc(N2CCNCC2)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDQILLUNKTWXNA-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCc1ccc(NC(=O)c2cnc(N3CCNCC3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRISEVDTNUTGCT-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCc1ccc(C(=O)Nc2cnc(N3CCNCC3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQHAWXWABFSGIW-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCc1cccc(NC(=O)c2cnc(N3CCNCC3)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQWJPLHUHVZZDV-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCc1cccc(COc2cnc(N3CCNCC3)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOLJAGFKWILUMB-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCc1cccc(OCc2cnc(N3CCNCC3)c(Cl)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWJUFECCSMIQKF-UHFFFAOYSA-N", "SMILES:Cc1nnc(-c2cnc(N3CCNCC3)c(Cl)c2)o1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQNRFXWKLZIGGN-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(N3CCNCC3)c(Cl)c2)no1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVUNFFFCUZMXEY-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2cnc(N3CCNCC3)c(Cl)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639576", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTNUPQXPJDICDG-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCc1nc(-c2cnc(N3CCNCC3)c(Cl)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQLROISGWMUDAK-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCc1nc(-c2cnc(N3CCNCC3)c(Cl)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWFDSSMRBRJWFD-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCCc1nc(-c2cnc(N3CCNCC3)c(Cl)c2)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXBIDSMUTZUNSR-UHFFFAOYSA-N", "SMILES:Cl.Cl.NCCc1ccc(OC(=O)c2cnc(N3CCNCC3)c(Cl)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1818888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYMCWJAFZPCSKX-XNWCZRBMSA-N", "SMILES:NC(=S)N/N=C/c1cc(=O)c(O)co1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5500014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGJHRVKISXOVEV-LURJTMIESA-N", "SMILES:N[C@@H](Cc1ccc(=O)n(O)c1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFWBXNZCGANFFR-OQFOIZHKSA-N", "SMILES:NC(=S)N/N=C\\c1ccc(=O)n(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL48310", "category": ["biolink:ChemicalEntity"], "name": "HINOKITIOL", "xref": ["InChIKey:FUWUEFKEXZQKKA-UHFFFAOYSA-N", "SMILES:CC(C)c1cccc(=O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1275999", "category": ["biolink:ChemicalEntity"], "name": "GAMMA-THUJAPLICIN", "xref": ["InChIKey:WKEWHSLZDDZONF-UHFFFAOYSA-N", "SMILES:CC(C)c1ccc(O)c(=O)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5647082", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUYZIVVHWSMHCR-SUNMMQDUSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCc4nc(C)c(C)nc4C)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647239", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQFLTIKMDDAYFE-SUNMMQDUSA-N", "SMILES:CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)NCc4nc(C)c(C)nc4C)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQIRCCSYTZUQAX-MCLIRCHUSA-N", "SMILES:CC(=O)OC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)NCc6nc(C)c(C)nc6C)CC[C@]5(C)CC[C@]34C)C2=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647003", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSNFYHBGGPUPPQ-YXZQVLARSA-N", "SMILES:CCC(=O)OC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)NCc6nc(C)c(C)nc6C)CC[C@]5(C)CC[C@]34C)C2=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTEJXIVPAHGBFP-DZOSJAHZSA-N", "SMILES:CCCC(=O)OC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)NCc6nc(C)c(C)nc6C)CC[C@]5(C)CC[C@]34C)C2=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVGSLEHPSTXUQT-DZOSJAHZSA-N", "SMILES:CC1=C(OC(=O)C2CC2)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)NCc4nc(C)c(C)nc4C)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRYSNRRDKCJCDD-MAYJLFPOSA-N", "SMILES:CC1=C(OC(=O)/C=C/c2ccccc2)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)NCc4nc(C)c(C)nc4C)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMFNWWVVEVKKKG-VZHCALMGSA-N", "SMILES:CC1=C(OC(=O)C2CCOCC2)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)NCc4nc(C)c(C)nc4C)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPLQTCAEVOYBMQ-MCLIRCHUSA-N", "SMILES:CC(=O)OC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)OCc6nc(C)c(C)nc6C)CC[C@]5(C)CC[C@]34C)C2=CC1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBIUIPCVVLXEU-MAYJLFPOSA-N", "SMILES:CC1=C(OC(=O)/C=C/c2ccccc2)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OCc4nc(C)c(C)nc4C)CC[C@]3(C)CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVVWHUJPABZCBD-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2nc(Cc3cccc(Cl)c3)[nH]c(=O)c2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHWZRDHRORANHY-UHFFFAOYSA-N", "SMILES:O=C(O)c1cc2c(=O)[nH]c(Cc3cccc(Cl)c3)nc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKCXRRXBYVUYSJ-UHFFFAOYSA-N", "SMILES:O=C(O)c1ccc2c(=O)[nH]c(Cc3cccc(Cl)c3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2180070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJXAXXUTIBEZHT-GFCCVEGCSA-N", "SMILES:C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2ncccn2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIUZBUYNCDOMPF-UHFFFAOYSA-N", "SMILES:Cc1ccncc1Nc1nc(CC2CCCCC2)[nH]c(=O)c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URMVHGQXPDBOLP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccccc2Cc2nc(N3CCC(CCO)CC3)c(C#N)c(=O)[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJCTWSSGWHOKEM-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(Cc2ccccc2)cc2c1cnn2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3984941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRRFQGYMGYXVHJ-STQMWFEESA-N", "SMILES:O=c1[nH]c([C@H]2CC[C@@H]2c2ncccn2)nc2c1cnn2C1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641637", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRCVEDNJZOTLAH-GJZGRUSLSA-N", "SMILES:Cc1ccc2nc([C@H]3CC[C@@H]3c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)cn2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGZFQNJXGXCQLM-UHFFFAOYSA-N", "SMILES:N#Cc1c(N2CCC3(CC2)CC3)c2ccncc2[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647316", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMNNGFZGSKJZAA-UHFFFAOYSA-N", "SMILES:O=c1[nH]c(COCCC2CCN(Cc3ccccc3)CC2)nc2c1cnn2C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646643", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:INDDKWKJTWMRQK-GOSISDBHSA-N", "SMILES:C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Cc2ccc(C(=O)Nc3ccccc3N)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5436457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNLVFVLVQKMNTB-SANMLTNESA-N", "SMILES:C=CC(=O)N1CCN(c2nc(OCC34CCCN3CCC4)nc3c2cc(-c2cccc4cccc(C)c24)n3C)C[C@@H]1CC#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4063356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDARBKORYFGQMH-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCC(C)CC3)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2098226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNBPZFDWJSQTIE-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCCC3)c12"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5270146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JPWDUFOMUUBQKH-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5290132", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEZMYIXHWDULRF-UHFFFAOYSA-N", "SMILES:O=c1cc(-c2ccccc2O)oc2ccc(O)c(CN3CCC3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4468698", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCXZAPBZADBMQO-UHFFFAOYSA-N", "SMILES:CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cc2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639224", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNPIJURFJUPZGS-UHFFFAOYSA-N", "SMILES:O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ncccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639781", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYKUZAPXSNYKOL-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Nc2ccccc2)nn(CC(O)c2ccccc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5613009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGNGBDVZYIBQEC-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Nc2ccc(C)cc2)nn(CC(O)c2ccccc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCYMVFOVIKLTJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1c(Nc2ccc(Cl)cc2)nn(CC(O)c2ccccc2)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTTQBKXIGQYIEZ-UHFFFAOYSA-N", "SMILES:CCCCC(O)Cn1nc(Nc2ccccc2)c(C(=O)OCC)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAZYOXPUBQETSD-UHFFFAOYSA-N", "SMILES:CCCCC(O)Cn1nc(Nc2ccccc2C)c(C(=O)OCC)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639662", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSCSTHDOKKAICD-UHFFFAOYSA-N", "SMILES:CCCCC(O)Cn1nc(Nc2cccc(C)c2)c(C(=O)OCC)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYOFSWPYVWESJK-UHFFFAOYSA-N", "SMILES:CCCCC(O)Cn1nc(Nc2ccc(C)cc2)c(C(=O)OCC)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWYJSFDSCAIKAI-UHFFFAOYSA-N", "SMILES:CCCCC(O)Cn1nc(Nc2ccccc2Cl)c(C(=O)OCC)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4061059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKYAWGRTSRYPGL-UHFFFAOYSA-N", "SMILES:CCCC(O)Cn1ncc(C(=O)OCC)c1NC(=O)Nc1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639226", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HABXFULFAHHKNN-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1cccnc1)c1nnc(-c2ccc(Br)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXMZCPVDFWWNIV-QFQXNSOFSA-N", "SMILES:COc1ccc(C(=C[C@@H]2COC[C@H]2S(=O)(=O)c2nnc(-c3ccc(Cl)cc3)o2)c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639297", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQJNKBXQOHFWCY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQEDMQPDZCSOSS-UHFFFAOYSA-N", "SMILES:CCS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LMQVVTANQIEXJB-UHFFFAOYSA-N", "SMILES:COCCS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639614", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQTGDCQJUDURCQ-UHFFFAOYSA-N", "SMILES:O=S(=O)(CC1CC1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELFWBBZMUCJNM-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1nnc(-c2ccc(Cl)cc2)o1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWRAZBYUTWQNGW-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1nnc(-c2ccc(Cl)cc2)o1)C1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBWYOTWPCIHPRB-UHFFFAOYSA-N", "SMILES:O=S(=O)(c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CAIYDGGKZIOZJS-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVYWVAOSAREIMN-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1cscn1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJLVHVRGNPOMFN-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1ccccn1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STOBOFMVGTYWIL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1cccnc1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORKUNUOGSXOLTK-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1ccncc1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639732", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNJHJVQSAOMFPB-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1ncccn1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXLFKRYIQOAYEK-UHFFFAOYSA-N", "SMILES:O=S(=O)(Cc1ccc2cnccc2c1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPYFGJMHNVYOHP-UHFFFAOYSA-N", "SMILES:C[S+]([O-])c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647191", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXSZKMYXOIMTIQ-UHFFFAOYSA-N", "SMILES:CC[S+]([O-])c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641701", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTBNPORYEXERDS-UHFFFAOYSA-N", "SMILES:COCC[S+]([O-])c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UNJDKTLGSDNDAZ-UHFFFAOYSA-N", "SMILES:[O-][S+](CC1CC1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEJAXBSYPLMFAC-UHFFFAOYSA-N", "SMILES:[O-][S+](c1nnc(-c2ccc(Cl)cc2)o1)C1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641652", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVPWSAGLRNOZEF-UHFFFAOYSA-N", "SMILES:[O-][S+](c1nnc(-c2ccc(Cl)cc2)o1)C1CCOC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESDUZBRCAELOF-UHFFFAOYSA-N", "SMILES:[O-][S+](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XZEJKDXHKWODMP-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMJOEXVNWNBGTD-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1cscn1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNNJGTWUNINJHN-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1ccccn1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5642474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFIDBBKGYMAWPL-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1cccnc1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHAJTJDPZWUYJW-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1ccncc1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZIWENCLBBMTQK-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1ncccn1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOVRJXJJJQAHPB-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1ccc2cnccc2c1)c1nnc(-c2ccc(Cl)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCUNMBPXFSSYHA-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1cccnc1)c1nnc(-c2ccccc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMQRGAVIZDIOHI-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nnc([S+]([O-])Cc3cccnc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DPWDQMVREJKZHD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(-c2nnc([S+]([O-])Cc3cccnc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639088", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATZYTJQUEMCDKG-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1ccc(-c2nnc([S+]([O-])Cc3cccnc3)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWPOVPLMNYSIPZ-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1cccnc1)c1nnc(-c2ccc(F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MXUTXVPUVMWLOG-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1cccnc1)c1nnc(-c2ccc(OC(F)F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDRLYJHSTCMEDX-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1cccnc1)c1nnc(-c2ccc(C(F)(F)F)cc2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVHSMNUYXPDCQI-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1cccnc1)c1nnc(-c2ccccc2Br)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABQSSBPGAYQCJB-UHFFFAOYSA-N", "SMILES:[O-][S+](Cc1cccnc1)c1nnc(-c2cccc(Br)c2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQPRNEUDRHTCCF-UHFFFAOYSA-N", "SMILES:COC(=O)C1=C(C(=O)OC)C2OC1CC2C#Cc1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639119", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAUXIVPOZQWTTD-LPHFBENJSA-N", "SMILES:CCCNNC(=O)CCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GONUDELWGXHOFD-OEQHGMQKSA-N", "SMILES:CCCNNC(=O)CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRSKDCSUHRSOQY-LPZNKSAJSA-N", "SMILES:CCCNNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRYGOYFGKDBFY-ZNBHNGSHSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647441", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUZVWUNPFOZNRE-FWOASIKKSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646749", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVFSPNJSSFAYEA-HIGLYJDASA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](O)[C@H](N)Cc2ccccc2)[C@@H](C)CC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FAPLEVQVYVMRCW-STXQHDJLSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RMTDAVLTDMBUDH-CCXMUWKTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCc1ccc(C(=O)NO)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJCJWWVZSBIFHP-WHMXIXPISA-N", "SMILES:COC(=O)c1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFOFQECKBPXDDI-SANMLTNESA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)NCc2cccc3ccccc23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDJKKUZGROJNGQ-QFIPXVFZSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)Nc2c(C)cccc2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639767", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRYGOYFGKDBFY-LIBFECIDSA-N", "SMILES:CCCNNC(=O)c1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](O)[C@@H](N)Cc2ccccc2)cc1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKUAZJLGUCZSNN-XDHOZWIPSA-N", "SMILES:O=C1N=C(N2CCN(Cc3ccc(B(O)O)cc3)CC2)S/C1=C/c1ccc(Cl)c(Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641815", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLOWXQVCVKPDCQ-UHFFFAOYSA-N", "SMILES:O=C(OCc1cc(Cl)cc(Cl)c1)N1CCN(C2CN(C(=O)c3ccc4c(c3)COB4O)C2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NRUAPFBVSUGJJQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GPWDSXGKEZELQH-UHFFFAOYSA-N", "SMILES:CCc1cc(C(=O)NC)c(Nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C(F)(F)F)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SMENIOIXBICWSB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(C(C)(C)C)sc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALAFOINLMDDMOW-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(-c2ccccc2)sc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBIQORJBNIRLJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2cccc(N3CCOCC3)c2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647606", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMWRMINOTAWTRV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJMQXXHLUKXBRQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCN(CCO)CC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRTJLCPCKWMLHV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(OCCN3CCOCC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QUPSSTNMTKCKSQ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639183", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOBPOIDIKAENTO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:REDVNZHZAIDXGJ-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(CS(=O)(=O)N3CCOCC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBRXOXGYBUZPES-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(CCN3CCS(=O)(=O)CC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFFVSBZSQJUZJY-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2OC)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LESGNHDGUUOEIU-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2)ncc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYWYRDRLCGNGDO-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2)ncc1Br"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YODZWPFTBUADGX-UHFFFAOYSA-N", "SMILES:CNC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2)ncc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BURYLXKWXYCMHM-CQSZACIVSA-N", "SMILES:Nc1nc2ccc(-c3ccc4ncc(C(=O)N5CCO[C@@H](CO)C5)n4c3)cc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNWWEXOSAULKHT-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRCHUTVTNGXBPZ-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCNCC5)n4c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646511", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLSSKALJOJIUDO-UHFFFAOYSA-N", "SMILES:COC1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXAOTCIAWNRMDY-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANVGIDSNUGKCAI-AWEZNQCLSA-N", "SMILES:NC(=O)[C@@H]1CCCN1C(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEUBZZZKGXCZPZ-HDICACEKSA-N", "SMILES:Nc1nc2cc(-c3ccc4ncc(C(=O)N5C[C@@H]6OCCO[C@@H]6C5)n4c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEUBZZZKGXCZPZ-QZTJIDSGSA-N", "SMILES:Nc1nc2cc(-c3ccc4ncc(C(=O)N5C[C@H]6OCCO[C@@H]6C5)n4c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSQLZYLYNZVTMY-VIFPVBQESA-N", "SMILES:C[C@H](NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKJBVHIMGZICBU-UHFFFAOYSA-N", "SMILES:CCC(NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)C(=O)OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYJNKJXPIZGNEA-UHFFFAOYSA-N", "SMILES:NC(=O)C(NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYJNKJXPIZGNEA-FQEVSTJZSA-N", "SMILES:NC(=O)[C@@H](NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYJNKJXPIZGNEA-HXUWFJFHSA-N", "SMILES:NC(=O)[C@H](NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GULTVWSPBDOPAF-SFHVURJKSA-N", "SMILES:NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNGUEWZUGLSAFM-SFHVURJKSA-N", "SMILES:NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFDPXOCVZLZMEN-VIFPVBQESA-N", "SMILES:C[C@H](Nc1ncnc2ccc(-c3ccc4oc(N)nc4c3)cc12)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646456", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFTOBUHPWPZTEJ-UHFFFAOYSA-N", "SMILES:NC(=O)CNc1ncnc2ccc(-c3ccc4oc(N)nc4c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPYYQFSRIJDCSR-KDURUIRLSA-N", "SMILES:Nc1nc2cc(-c3ccc4ncc(N5C[C@@H]6OCCO[C@@H]6C5)nc4c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WSGVIMNVFJIBFJ-VIFPVBQESA-N", "SMILES:C[C@H](Nc1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2n1)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATSTFNPRASINP-UHFFFAOYSA-N", "SMILES:NC(=O)CNc1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPYYQFSRIJDCSR-OALUTQOASA-N", "SMILES:Nc1nc2cc(-c3ccc4ncc(N5C[C@@H]6OCCO[C@H]6C5)nc4c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSDQBYUUJUXVKK-KDURUIRLSA-N", "SMILES:Nc1nc2cc(-c3ccc4nc(N5C[C@@H]6OCCO[C@@H]6C5)cnc4c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641607", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBFGWEBCXNKERV-UHFFFAOYSA-N", "SMILES:NC(=O)CNc1cnc2cc(-c3ccc4oc(N)nc4c3)ccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639153", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVTDUMRSYUQNFD-UHFFFAOYSA-N", "SMILES:Nc1nc2cc(-c3ccc4ncc(NCC(=O)NO)nc4c3)ccc2o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYTWKFPFQDRWHN-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGKRVQCZWFVTEQ-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HEUMICXHYHSARI-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(Cl)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647487", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYUFNZWNEWDSLQ-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(Cl)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639508", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVZPIQVLXWJEGM-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(F)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGGKKZHFOKZWNM-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(F)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQKYKBUIIVGNTD-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(C(F)(F)F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIBIRLVPYUBCRV-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(C(F)(F)F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646653", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGOMDAPKWBZMZ-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHSQMFLFLYXMGA-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWRAOAOTYDAVKX-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(C(F)(F)F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647099", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YDDRYYASSGIIFK-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(C(F)(F)F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVITHJUTPFSHF-UHFFFAOYSA-N", "SMILES:COc1ccc(F)cc1OC(C)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639113", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZMECIDSBGYIC-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(F)ccc1OC)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639544", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDJVGBNSUWLUKE-UHFFFAOYSA-N", "SMILES:CC(Oc1cccc(F)c1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647076", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEMWFTYLEKHOQR-UHFFFAOYSA-N", "SMILES:CCC(Oc1cccc(F)c1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646785", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHYXSLBVXNQUAJ-UHFFFAOYSA-N", "SMILES:CC(Oc1cccc(Cl)c1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641743", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKKVUEKZGIPXTH-UHFFFAOYSA-N", "SMILES:CCC(Oc1cccc(Cl)c1F)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641620", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMKAPQVRIZCIMH-UHFFFAOYSA-N", "SMILES:CCC(Oc1cccc(F)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USIILAWARKIXKM-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYTWSFCTEHSEGC-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccncc2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZJUYULZIBPYPQ-UHFFFAOYSA-N", "SMILES:CCCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647077", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APQZNYUJNUPOMI-UHFFFAOYSA-N", "SMILES:CCCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccncc2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647458", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONPULWXCGHHFCO-UHFFFAOYSA-N", "SMILES:CCC(Oc1cccc(Cl)c1Cl)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGMNWVAHYACLEO-UHFFFAOYSA-N", "SMILES:CCC(Oc1cc(Cl)ccc1Cl)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL222215", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEMGBXUNOYSLPO-GDNBJRDFSA-N", "SMILES:O=C(O)CCCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AYWMAOBDHZWFAG-XNTDXEJSSA-N", "SMILES:COc1ccc(N2C(=O)/C(=C\\c3ccccc3C(F)(F)F)SC2=S)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSFWFRCOKSWQKF-UHFFFAOYSA-N", "SMILES:CCn1c(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)nc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVMLFYKDVRYYOK-UHFFFAOYSA-N", "SMILES:Cc1cccc(C(=O)Nc2ncn(Cc3ccc(Cl)c(Cl)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLFHBZZOKOBYDV-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4ccccn4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRMGBZXKGUBORE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccnc4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639089", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDMHYCMFWUAUQG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4ccncc4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEANWFYTBJIQQX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(N)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646803", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSLTXRYHANMRCS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CN)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLIOLJNSOUWXQU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(C)=O)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647315", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWYIHTNRCHCINH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(Cn5cnc(C)c5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNHCUTNZXTUXPI-UHFFFAOYSA-N", "SMILES:CCc1nccn1Cc1cccc(Nc2cc3nc(-c4cnc(OC)c(OC)c4)ccn3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SUGVMHZDZMFCQJ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CN5CCN(C)C5=O)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641561", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVCWAKFADVSCLD-UHFFFAOYSA-N", "SMILES:CCC(=O)NCc1cccc(Nc2cc3nc(-c4cnc(OC)c(OC)c4)ccn3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WVFAKEBPNFHPRY-UHFFFAOYSA-N", "SMILES:COCC(=O)NCc1cccc(Nc2cc3nc(-c4cnc(OC)c(OC)c4)ccn3n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639814", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDCVYSXEEZFOSI-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)C5CC5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OCQKCCHSJMAUAS-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)C5CCCC5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLPZJYALZYAJMO-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)C5CCCCC5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPSYNNOLAXEZAD-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)C(F)F)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJGGTMUWVGIFOX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)CC(F)F)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647291", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMIQEXSRKJZAEE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccccc5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTNVQQAVPFTMLC-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccccn5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639521", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBCUEJBBIZTGDT-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccoc5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646615", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFBBYMDWDSZYSP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccco5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KOSIBWHRFICAMX-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5cn(C)cn5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647245", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHAHZARPMJULFU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccc(OC(C)C)cc5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUOSMKAGFRTJKQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccc(OC(F)(F)F)cc5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJLUTTPQJZNOFE-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccc(C(F)(F)F)cc5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MZQJJUWAAPMRER-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)CCc5ccccc5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHBRIUFPBZTXAU-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccccc5F)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647488", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PRXYMLOSAFSKGK-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5cccc(F)c5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639100", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYVUEQOTMUIKNR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccc(F)cc5)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKCQHIAEXALXRG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5c(F)cccc5F)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNYGDAZWSZFPFR-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(C(=O)NCc2cccc(Nc3cc4nc(-c5cnc(OC)c(OC)c5)ccn4n3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BCYRIDCXNMUOGH-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5cccc6c5OCO6)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITZIMRUDEQEGTM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5cccc6c5OCCO6)n4)cc3n2)cnc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL392158", "category": ["biolink:ChemicalEntity"], "name": "FALLYPRIDE", "xref": ["InChIKey:OABRYNHZQBZDMG-INIZCTEOSA-N", "SMILES:C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"], "synonym": ["Fallypride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMGWKXZSQCGGGA-ZWKOTPCHSA-N", "SMILES:C=CCN1C[C@H](OCCN)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647189", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDYPFYPZGPSPS-RBUKOAKNSA-N", "SMILES:C=CCN1C[C@H](OCCCN)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODHNMBBWHFBBL-ZWKOTPCHSA-N", "SMILES:CCN1C[C@H](OCCCN)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647611", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYQMOAPXBDHMCQ-URLMMPGGSA-N", "SMILES:C=CCN1C[C@H](OCCCNC(=O)c2ccc(-c3ccsc3)cc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTYKCMYOCGOEMO-IZZNHLLZSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2ccc(-c3ccccn3)cc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLOPBYSKIWJNJ-IZZNHLLZSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2ccc(-c3ccsc3)cc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAHQEMRIXRTMKH-LOSJGSFVSA-N", "SMILES:CCN1C[C@H](OC(=O)Nc2ccc(-c3ccsc3)cc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDYPFYPZGPSPS-MOPGFXCFSA-N", "SMILES:C=CCN1C[C@@H](OCCCN)C[C@@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1739963", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TVWNOPFEOFGKFJ-UHFFFAOYSA-N", "SMILES:O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4438361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPRKJVQRTVEJJH-UHFFFAOYSA-N", "SMILES:CCCCN1CCN(c2ccccc2OCCF)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVAQYIDEGUIPQ-XZOQPEGZSA-N", "SMILES:C=CCN1C[C@H](OCc2ccccc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXATXHBJCKNDIU-XZOQPEGZSA-N", "SMILES:C=CCN1C[C@H](OCc2ccc(F)cc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYFVESQDGBCSRP-XZOQPEGZSA-N", "SMILES:C=CCN1C[C@H](OCc2ccc(C(F)(F)F)cc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLAAUSCDSXYHAZ-FCHUYYIVSA-N", "SMILES:C=CCN1C[C@H](OCc2ccncc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639281", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RKNWXFDIXVCLNO-FCHUYYIVSA-N", "SMILES:C=CCN1C[C@H](OCc2cccnc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641706", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTBMOTWSSZKVDC-RBUKOAKNSA-N", "SMILES:C=CCO[C@@H]1C[C@@H](CNC(=O)c2cc(CCCF)cc(OC)c2OC)N(CC=C)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PJTUVEVWHJIBQJ-RPWUZVMVSA-N", "SMILES:C=CCN1CC[C@H](OCc2ccccc2)[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMPUAGQQRFXFOX-ZWKOTPCHSA-N", "SMILES:C=CCN1C[C@H](OCCO)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641575", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNFSCXRNIRPEPV-RBUKOAKNSA-N", "SMILES:C=CCN1C[C@H](OCCCO)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBFWNZOPXYBZFJ-UXHICEINSA-N", "SMILES:C=CCN1CC[C@H](OCCCN)[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646949", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNFWJAQYVFRKRJ-VQTJNVASSA-N", "SMILES:C=CCN1C[C@H](OCCCCN)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEJFCRKDSLTFV-FCHUYYIVSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2ccccc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZQJENLKOBURPM-XZOQPEGZSA-N", "SMILES:C=CCN1C[C@H](OC(=O)NCc2ccccc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LPSPMYVAOZUORR-BJKOFHAPSA-N", "SMILES:C=CCN1C[C@H](OC(=O)NCCc2ccccc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647451", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTEUONPYEGTUMM-FCHUYYIVSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2ccccc2C)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJMODPWKQJNRMT-FCHUYYIVSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2cc(C)ccc2OC)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZSVWQHBZVBKES-BJKOFHAPSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2cccc(N(C)C)c2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPSCKONIPWPNAA-VQTJNVASSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2ccsc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GWGWCDFVSGWHNI-VQTJNVASSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2ccoc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639198", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUILVQGAFGGMCT-LEWJYISDSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2cccnc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RLRPUCNVCZCTRG-VQTJNVASSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2ccccn2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646712", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLOPBYSKIWJNJ-FTJBHMTQSA-N", "SMILES:C=CCN1C[C@@H](OC(=O)Nc2ccc(-c3ccsc3)cc2)C[C@@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639676", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDYPFYPZGPSPS-OALUTQOASA-N", "SMILES:C=CCN1C[C@@H](OCCCN)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLOPBYSKIWJNJ-UIOOFZCWSA-N", "SMILES:C=CCN1C[C@@H](OC(=O)Nc2ccc(-c3ccsc3)cc2)C[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639547", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZDYPFYPZGPSPS-RTBURBONSA-N", "SMILES:C=CCN1C[C@H](OCCCN)C[C@@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XCLOPBYSKIWJNJ-CLJLJLNGSA-N", "SMILES:C=CCN1C[C@H](OC(=O)Nc2ccc(-c3ccsc3)cc2)C[C@@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639351", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWEKXOYWKVQHAK-AGYLGSJTSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(CC(=O)NCCOCCOCCOCCC(=O)OCCN4CCN(c5cc(Nc6ncc(C(=O)Nc7c(C)cccc7Cl)s6)nc(C)n5)CC4)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1956500", "category": ["biolink:ChemicalEntity"], "name": "CHLORIN E6", "xref": ["InChIKey:VAJLRIOJDADNAT-HHGNVTQFSA-N", "SMILES:C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLNNCKCXIGOGLJ-RTRKAOQRSA-N", "SMILES:C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=C[C@@H]5O[C@@]6(CCC(C)(C)O6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@@H]3[C@@]1(C)C8)O[C@](C)(CO)C[C@H]2O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5415251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LBSMEKVVMYSTIH-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1439833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIQMEYCMAGHOEQ-UHFFFAOYSA-N", "SMILES:CCCC(=O)NC(c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639336", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADGZKPSWCHQZII-UHFFFAOYSA-N", "SMILES:COc1ccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2NC(=O)c2cccc(SC)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5314535", "category": ["biolink:ChemicalEntity"], "name": "PIMICOTINIB", "xref": ["InChIKey:NXFPMDWYDKHFMM-UHFFFAOYSA-N", "SMILES:Cc1nc(NC(=O)N2CCC(C)(C)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1"], "synonym": ["Pimicotinib", "Pimicotinib", "Pimicotinib", "Pimicotinib", "ABSK-021 FREE BASE ANHYDROUS", "ABSK-021-0 FREE BASE ANHYDROUS", "ABSK-021-7", "ABSK021 FREE BASE ANHYDROUS", "ABSK021-NX", "ASYM-133040", "Pimicotinib"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGBMULROFDMOBL-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC(C)(C)C4=O)nc3)ccn2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBPLIADPJUIRCB-BJUDXGSMSA-N", "SMILES:COc1ccc(COc2ncc(Oc3ccnc(C(=O)N[11CH3])c3)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1087280", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WJUXNUKCGGIWMS-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ncc(Oc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646587", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMVUWBUQOMNYQR-UHFFFAOYSA-N", "SMILES:Nc1nccc2c1ccn2-c1cccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQMUMVPJUCSKMU-UHFFFAOYSA-N", "SMILES:Cc1nc2[nH]cc(Cc3ccc(NCc4ccc(C(F)(F)F)nc4)nc3)c2c(C)c1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVLLVQNRIGNKPZ-UHFFFAOYSA-N", "SMILES:COc1nc(F)ccc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SCSUPNQGNWGCEV-UHFFFAOYSA-N", "SMILES:CNC(=O)c1nccc2cc(-c3cncc(Nc4ccc(OC5CC5)nc4)c3C)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4160143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBLCNWNDMUJOKH-UHFFFAOYSA-N", "SMILES:COc1cc(NC(=O)Nc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2Oc2cccc(OC)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABDPBSXQLBJPTL-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(NCc3ccccc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKDOPEFRNJXAOV-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(NCc3ccccn3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CGBKQGQXEFGPDM-UHFFFAOYSA-N", "SMILES:CC(C)n1cnc2c(NCc3ccc(F)c(F)c3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYVDFOFDVCFARJ-UHFFFAOYSA-N", "SMILES:OCCN1CCC(C2CCN(c3nc(NCc4cccc(F)c4F)c4ncn(C5CCCC5)c4n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647193", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYUDBMRFRZUOTH-UHFFFAOYSA-N", "SMILES:OCCN1CCC(C2CCN(c3nc(NCc4ccc(Cl)c(F)c4)c4ncn(C5CCCC5)c4n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639257", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFXYFFIMEFNDHC-UHFFFAOYSA-N", "SMILES:OCCN1CCC(C2CCN(c3nc(NCc4ccc(F)c(Cl)c4)c4ncn(CC5CC5)c4n3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNFUHNMKWYBWNI-UHFFFAOYSA-N", "SMILES:CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(CN6CC(F)(F)C6)COC5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080520", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWCGLZSPRJCLHZ-NRFANRHFSA-N", "SMILES:CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)c(F)c2)o1)C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZVHVFDPMFPFSY-VWLOTQADSA-N", "SMILES:CC(C)[C@H](NC(=O)c1ccc(-c2ccc(CCc3nc4c(c(=O)[nH]3)CCC4)c(F)c2)o1)C(=O)NC1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BPEYIEBDPYJDED-QHCPKHFHSA-N", "SMILES:CC(C)[C@H](NC(=O)c1ccc(-c2ccc(CNc3nc4c(c(=O)[nH]3)CCC4)c(F)c2)o1)C(=O)NC1COC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OZJJRKVOISYTCX-KNZONXKQSA-N", "SMILES:Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@]23CCO3)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4114685", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PUFSHOBLKSMSCP-ZAQQZEBGSA-N", "SMILES:CNC(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3702836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YELZMARZEBVKBL-VAZXNAHHSA-N", "SMILES:CN(C1COC1)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3393328", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCDVOAGDQONFDT-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCC(c2cc(Nc3cc(C#N)ccn3)nc(N3CCC(F)(F)C3)c2)CC1"]}
{"name": "Developmentally-regulated GTP-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066214"], "id": "UniProtKB:Q9Y295", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSZIOJJFVANMBW-VWLOTQADSA-N", "SMILES:COC(C)(C)C#Cc1cnc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3359762", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAUGEXWMBITOIF-DEOSSOPVSA-N", "SMILES:CC(C)(O)C#Cc1cnc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFGUONALQQRUOT-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nccc3c(-c4cccc(F)c4)c[nH]c23)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2178782", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNFGAWWNIPHLE-WBIOMSNFSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCNC13CC4CC(C)(CC(C)(C4)C1)C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646469", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MQXBZGXYQPDNAD-UDEYFRBPSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C/C=C/CNC13CC4CC(C)(CC(C)(C4)C1)C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZTDSULVNSEKLP-WBIOMSNFSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CC#CCNC13CC4CC(C)(CC(C)(C4)C1)C3)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639642", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLVXQXNUTKTVJF-AFUMVMLFSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C/c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOFBLIZOSGHWAW-VULFUBBASA-N", "SMILES:Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N/Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639696", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNAGZKIUZGDBDY-VULFUBBASA-N", "SMILES:COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N/Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSJDVOVSEYYKGY-LGJNPRDNSA-N", "SMILES:NS(=O)(=O)c1ccc(N/N=C/c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZEUQFKNQPTVHLV-VULFUBBASA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N/Nc2ccc(S(N)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641726", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLEHUAVUEXQUDR-AFUMVMLFSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(/C=N/Nc3ccc(C(=O)O)cc3)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646796", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOLIDZMFBPPYGU-VULFUBBASA-N", "SMILES:Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N/Nc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFLQFIBRMMMMK-VULFUBBASA-N", "SMILES:COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N/Nc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZDBGIIPSHKZZGZ-LGJNPRDNSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(/C=N/Nc3ccc(C(=O)O)cc3)c(-c3ccc(Br)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGPGPIWZJHWQM-VULFUBBASA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N/Nc2ccc(C(=O)O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAFXHAYDTMCWGA-JVWAILMASA-N", "SMILES:CCOC(=O)c1ccc(N/N=C/c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639440", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUKNUMQAOJEOLY-LQKURTRISA-N", "SMILES:CCOC(=O)c1ccc(N/N=C/c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2-c2ccc(C)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTDGFCZMBFULEX-LQKURTRISA-N", "SMILES:CCOC(=O)c1ccc(N/N=C/c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2-c2ccc(OC)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSHAPCZIKSTTQX-RWPZCVJISA-N", "SMILES:CCOC(=O)c1ccc(N/N=C/c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2-c2ccc(Br)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646420", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNWPUTGKTZSMSK-LQKURTRISA-N", "SMILES:CCOC(=O)c1ccc(N/N=C/c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2-c2ccc(S(C)(=O)=O)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAQMOCLTFIUVEW-AFUMVMLFSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(/C=N/NC3=NS(=O)(=O)c4ccccc43)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSOXSRVRFFPSDY-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQIFVZOFTHSBFZ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFOHQRFLJRYOIK-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GOXWOVHOLBXLHO-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXKLGXJXFJCXMA-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZVPMTVTTDJXND-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(S(C)(=O)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKCTSLTJGBEQO-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBCRLOBSJUFYCH-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(C(=O)NO)c(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647582", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRHORVWATOGGRC-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KDQODGBIDFRVSG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHEAQWZITWOPOY-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2cc(C(=O)NO)c(-c3ccc(Br)cc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646664", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQGFPNJOTRAFEC-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NO)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KARZKQUFIJTADF-UHFFFAOYSA-N", "SMILES:NC(=O)NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNDUKLGCUXMQHP-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NNC(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639702", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNGBBBOBWCKYSB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NNC(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUUCRRDUIPRCGS-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NNC(N)=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5642463", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISGSNMZURKCBMF-UHFFFAOYSA-N", "SMILES:NNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCTUGEKEJIYFIQ-UHFFFAOYSA-N", "SMILES:COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3633548", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VACFFWNGDSQKKJ-BFYITVNDSA-N", "SMILES:NS(=O)(=O)c1ccc(-n2ncc(C(=O)N/N=C3\\C(=O)N(Cc4ccccc4)c4ccccc43)c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEOAVZKXWQJZTG-UHFFFAOYSA-N", "SMILES:NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3126804", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEDHNSZCAYGLLT-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)NN)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:USKUPKSRFVRJNX-UHFFFAOYSA-N", "SMILES:CCn1c(-c2cc(C(=O)O)[nH]n2)cc2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647623", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALXQQOQOXOQEDX-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL488481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRLMIOJTUNIVRD-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWVNDWLEQPEXAJ-UHFFFAOYSA-N", "SMILES:CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZQWAFBHDUNJHM-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(c2ccccc2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL344973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDUFCVJASUIVOF-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(c2cccs2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639513", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFOYZMZJCMAUGA-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=CC(C)(C)Oc3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KGKNZAFDQDSTMO-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(c2ccc(N3CCOCC3)cc2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTSHJCSZMTWEJL-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(c2ccc(CN3CCOCC3)cc2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641562", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZKJTCFGNWFXJN-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(c2ccc(CN3CCOCC3)cc2)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCFSZZMHXZSCHD-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=CCC(C)(C)c3ccc(C(=O)Nc4cc(F)c(C(=O)O)c(F)c4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DSNRBTFPXLRTFZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=CCC(C)(C)c3ccc(NC(=O)Nc4ccc(C(=O)O)cc4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MPPLZMDKEVGBGV-UHFFFAOYSA-N", "SMILES:CC1(C)CC=C(c2ccc(N3CCOCC3)cc2)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZRQWFCKXWSRFQP-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=CCC(C)(C)c3ccc(N4CCc5cc(C(=O)O)ccc5C4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647012", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VERJIHDPKLEMCZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C2=CCC(C)(C)c3ccc(-c4ccc5cc(C(=O)O)ccc5n4)cc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646644", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMMIJJJIFSSLIL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(C(C)(C)C)cc2-c2ccnc(NCCCNS(=O)(=O)c3ccc(Br)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVIHUDPZHBSTDD-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(C(C)(C)C)cc2-c2ccnc(NCCCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQUTXJBAHFWEQU-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nn(C(C)(C)C)cc2-c2ccnc(NCCCNS(=O)(=O)c3ccc(F)cc3)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUTXXVCDKUBZCY-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2cc(-c3cn(C(C)(C)C)nc3-c3cccc(OC)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647081", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUHJBJKESRQWHT-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCNS(=O)(=O)c3ccccc3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYMCYPZJIXZDPZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCNS(=O)(=O)c3ccc(Br)cc3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646453", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRDISELEQSJGLN-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCNS(=O)(=O)c3ccc(Cl)cc3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXMUWQMKZKMJJX-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCNS(=O)(=O)c3ccc(F)cc3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641807", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLGOKOAXVMKSSW-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCNc2cc(-c3cn(C(C)(C)C)nc3-c3cccc(O)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647310", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YPLWOPQCEJNNCN-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCNc2cc(-c3cn(C(C)(C)C)nc3-c3cccc(O)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEEAOATWKRAJCA-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMKKKJDDMMWEF-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCNS(=O)(=O)c3cccc(F)c3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWQMBUXQYQRRJH-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCNS(=O)(=O)c3cccc4ccccc34)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULAZKRKKWCLPNC-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3ccccc3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXYAOCFRPNNJFY-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3ccc(Br)cc3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639098", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXRAPLARWWCYCY-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3ccc(Cl)cc3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJHPVJKKJYUQGH-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3ccc(F)cc3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KZSUQTFUAGZIRM-UHFFFAOYSA-N", "SMILES:COc1ccc(S(=O)(=O)NCCCNc2cc(-c3cn(C(C)(C)C)nc3-c3cccc(O)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646811", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMROGCKSGZBBEA-UHFFFAOYSA-N", "SMILES:Cc1ccc(S(=O)(=O)NCCCNc2cc(-c3cn(C(C)(C)C)nc3-c3cccc(O)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639253", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWEMYFYYEZRWQB-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAWBNROBILVSAP-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3cccc(F)c3)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSUSBTSNFYUPPT-UHFFFAOYSA-N", "SMILES:CC(C)(C)n1cc(-c2ccnc(NCCCNS(=O)(=O)c3cccc4ccccc34)c2)c(-c2cccc(O)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OPCPWFHLFKAUEA-UHFFFAOYSA-N", "SMILES:CCNC1CCNC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICRRXLRPEKVVDT-UKRRQHHQSA-N", "SMILES:COC(=O)N1CCN2c3cc4c(N[C@H](C)c5cccc(C(F)F)c5F)nnc(C)c4cc3OC[C@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639304", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUFFEKCAZCKIQM-QPOMLTSFSA-N", "SMILES:Cc1cc(Cn2c(N3CC4(CNC4)C3)nc3c(N4CCN(CCCCCCCCC(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cc(Cl)cc32)cc(C)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647340", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQPBIVYJDGIVPF-OAHLLOKOSA-N", "SMILES:CNCc1ccccc1-c1csc([C@@H](C)Nc2ncnc3cc(OC)c(OC)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRDNHFDLZZTKPR-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3nc(Nc4ccccc4N(C)S(C)(=O)=O)c4cc[nH]c4n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGBZJJZEZHTAIC-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(Nc3nc(Nc4ccccc4N(C)S(C)(=O)=O)c4cc[nH]c4n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALIDDWLWSGSJPS-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4nc(Nc5ccccc5N(C)S(C)(=O)=O)c5cc[nH]c5n4)cc3F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGFCKDYZUCXPDC-UHFFFAOYSA-N", "SMILES:CCN1CCN(C2CCN(c3ccc(Nc4nc(Nc5ccccc5N(C)S(C)(=O)=O)c5cc[nH]c5n4)cc3F)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647585", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOKDGQMPSXVBKA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CC=C(c2nc(NC3CCN(C)CC3)c3cc(OC)c(OC)cc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JRZNJNGREFJDRX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N1CCC=C(c2nc(NC3CCN(C)CC3)c3cc(OC)c(OC)cc3n2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639619", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIYCTRNTJJXYCH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(-c2nc(NC3CCN(C)CC3)c3cc(OC)c(OC)cc3n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCTGNUMGMWXTNL-BQYQJAHWSA-N", "SMILES:C=CC(=O)NC/C=C/c1nc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDCQNBQYWMIGR-DHZHZOJOSA-N", "SMILES:C=CC(=O)NC/C=C/c1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(OC)c(OC)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQIOLQSYDABIRM-MOSHPQCFSA-N", "SMILES:Cc1ccc(CN2C(=O)S/C(=C\\c3ccc(OCc4ccccc4)s3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIIKOEDTKLAUGF-UNOMPAQXSA-N", "SMILES:Cc1ccc(CN2C(=O)S/C(=C\\c3ccc(Oc4ccc([N+](=O)[O-])cc4)s3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647608", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HHANBPMOIARBKR-UYRXBGFRSA-N", "SMILES:Cc1ccc(CN2C(=O)S/C(=C\\c3ccc(Oc4ccccc4)s3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HCKMTHLYPNHWOD-HAHDFKILSA-N", "SMILES:Cc1ccc(CN2C(=O)S/C(=C\\c3ccc(Oc4ccc5ccccc5c4)s3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STLABVCVJNROMP-UNOMPAQXSA-N", "SMILES:Cc1ccc(CN2C(=O)S/C(=C\\c3ccc(Nc4ccccc4Cl)s3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLLGYDVQJYVSV-UNOMPAQXSA-N", "SMILES:Cc1ccc(CN2C(=O)S/C(=C\\c3ccc(Nc4cccc(Cl)c4)s3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBPKNLRFYDBRAM-UNOMPAQXSA-N", "SMILES:Cc1ccc(CN2C(=O)S/C(=C\\c3ccc(Nc4ccc(Cl)cc4)s3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSIMDKUTJYDRCU-UNOMPAQXSA-N", "SMILES:Cc1ccc(CN2C(=O)S/C(=C\\c3ccc(Nc4ccccc4[N+](=O)[O-])s3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639634", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GTGUNOIWEBHPMX-UNOMPAQXSA-N", "SMILES:Cc1ccc(CN2C(=O)S/C(=C\\c3ccc(Nc4ccc([N+](=O)[O-])cc4)s3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNLAXWKKKXTORG-HMAPJEAMSA-N", "SMILES:Cc1ccc(CN2C(=O)S/C(=C\\c3ccc(Nc4ccc(Cl)cc4)cc3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647501", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFRTXCGTOOVGMB-XKZIYDEJSA-N", "SMILES:COc1cccc(CN2C(=O)S/C(=C\\c3ccc(Nc4cccc(Cl)c4)cc3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAWRBHXSEHERBN-HMAPJEAMSA-N", "SMILES:COc1cccc(CN2C(=O)S/C(=C\\c3ccc(Nc4ccc(Cl)cc4)cc3)C2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641630", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUTODINYDRDFMK-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc2nc[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHFOWLIYSYMZJG-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc2nc(CCc3ccccc3)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647358", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEGMGFWAJADKSJ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc2[nH]c(CNc3ccccc3)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646691", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGPUMRVMRJXXBD-UHFFFAOYSA-N", "SMILES:Cn1c(CNc2ccccc2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641668", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIPZHNMYVJWAIY-UHFFFAOYSA-N", "SMILES:CCn1c(CNc2ccccc2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFVQBPLYZHTBIJ-UHFFFAOYSA-N", "SMILES:CC(C)n1c(CNc2ccccc2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NVDZYUWUSBFWAH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc2c(c1)nc(CNc1ccccc1)n2C1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNXFYCXDCQQCMI-UHFFFAOYSA-N", "SMILES:Cn1c(CSc2ccccc2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647190", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XPBWGAGLMKVPQP-UHFFFAOYSA-N", "SMILES:Cn1c(COc2ccccc2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FRVFFZCDJYNJJV-UHFFFAOYSA-N", "SMILES:Cn1c(CN2CCC3(CC2)OCCO3)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647326", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSIZFRGHNAITJ-UHFFFAOYSA-N", "SMILES:Cn1c(CN2CCCCC2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639204", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GSQFVPXFDMKNNT-UHFFFAOYSA-N", "SMILES:Cn1c(CNc2cccc3ccccc23)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639103", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKQODPWRBKNGGR-UHFFFAOYSA-N", "SMILES:Cc1ccccc1NCc1nc2cc(C(=O)NO)ccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647641", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FDAOUDSIEQOAKO-UHFFFAOYSA-N", "SMILES:Cc1cccc(NCc2nc3cc(C(=O)NO)ccc3n2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUAMHUOPHSQSHG-UHFFFAOYSA-N", "SMILES:Cc1ccc(NCc2nc3cc(C(=O)NO)ccc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QQKQBYCCZQWQPT-UHFFFAOYSA-N", "SMILES:Cn1c(CNc2ccccc2F)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIOYOYUBWILUBU-UHFFFAOYSA-N", "SMILES:Cn1c(CNc2cccc(F)c2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WBVGWZIZDKGGOH-UHFFFAOYSA-N", "SMILES:Cn1c(CNc2ccc(F)cc2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639744", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRJLAQFSTDIIRQ-UHFFFAOYSA-N", "SMILES:CN(Cc1nc2cc(C(=O)NO)ccc2n1C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639086", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXPJAVSFJRGHNQ-UHFFFAOYSA-N", "SMILES:CCN(Cc1nc2cc(C(=O)NO)ccc2n1C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHPCDPMHWHWEFD-UHFFFAOYSA-N", "SMILES:CCCN(Cc1nc2cc(C(=O)NO)ccc2n1C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTGNARMLUGXOSQ-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1nc2cc(C(=O)NO)ccc2n1C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639168", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFHWXSJOJUMRSR-UHFFFAOYSA-N", "SMILES:CCCCN(Cc1nc2cc(C(=O)NO)ccc2n1C)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646473", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKTVLNQPBHTDLZ-UHFFFAOYSA-N", "SMILES:Cn1c(CNCc2ccccc2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYUJOFDYFDOOEV-LBPRGKRZSA-N", "SMILES:C[C@H](NCc1ccccc1)c1nc2cc(C(=O)NO)ccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646735", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QYUJOFDYFDOOEV-GFCCVEGCSA-N", "SMILES:C[C@@H](NCc1ccccc1)c1nc2cc(C(=O)NO)ccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOUVSAISQJMEHD-NRFANRHFSA-N", "SMILES:Cn1c([C@H](Cc2ccccc2)NCc2ccccc2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOUVSAISQJMEHD-OAQYLSRUSA-N", "SMILES:Cn1c([C@@H](Cc2ccccc2)NCc2ccccc2)nc2cc(C(=O)NO)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVQHLULVQFMWRZ-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc2c(c1)ncn2CCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639950", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVAFLYAGGSBYPZ-UHFFFAOYSA-N", "SMILES:Cn1c(CNc2ccccc2)nc2ccc(C(=O)NO)cc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SVKJPENABBWJPQ-DQRAZIAOSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1/Nc2ccc(C(=O)NCC3CCN(C(=O)CCl)CC3)cc2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639314", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXVLDZLVROXMQN-UMCMBGNQSA-N", "SMILES:O[C@@H]1[C@H](O)[C@@H](CNCc2ccc(C(F)(F)F)cc2)O[C@H]1n1cnc2c(NCc3cccc(Cl)c3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4574601", "category": ["biolink:ChemicalEntity"], "name": "LINPERLISIB", "xref": ["InChIKey:NVWKNQGHVMMAJW-UHFFFAOYSA-N", "SMILES:COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)cc(F)cc23)cc1NS(C)(=O)=O"], "synonym": ["Linperlisib", "PI3K.DELTA.-IN-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4594405", "category": ["biolink:ChemicalEntity"], "name": "VALEMETOSTAT TOSYLATE", "xref": ["InChIKey:JSBKGJUYSLVFPF-WJQUPPJOSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(Cl)c3c(c2C)O[C@@](C)([C@H]2CC[C@H](N(C)C)CC2)O3)c(=O)[nH]1.Cc1ccc(S(=O)(=O)O)cc1"], "synonym": ["Valemetostat tosilate", "Valemetostat tosilate", "Valemetostat tosylate"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2032324", "category": ["biolink:ChemicalEntity"], "name": "NUCLEOZIN", "xref": ["InChIKey:OWXBJAPOSQSWAO-UHFFFAOYSA-N", "SMILES:Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNNYECTZBUKFCZ-XVNCSPBISA-N", "SMILES:CCOc1ccc(/C=C/C(=O)/C=C/c2c(OC)cccc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646442", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UAFLPTJINUVNNC-OWKCIBLPSA-N", "SMILES:COc1cccc(OC)c1/C=C/C(=O)/C=C/c1ccc(N2CCOCC2)cc1"]}
{"name": "Single-stranded DNA cytosine deaminase", "xref": ["CHEMBL.TARGET:CHEMBL6067454"], "id": "UniProtKB:Q9GZX7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639563", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSXVIKHLSSMJN-NBFOIZRFSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OCC2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSXVIKHLSSMJN-GXTWGEPZSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@H]2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSXVIKHLSSMJN-JSGCOSHPSA-N", "SMILES:C[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@@H]2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSXVIKHLSSMJN-UHFFFAOYSA-N", "SMILES:CC(COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OCC2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSXVIKHLSSMJN-TYZXPVIJSA-N", "SMILES:CC(COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@H]2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYSXVIKHLSSMJN-PYMCNQPYSA-N", "SMILES:CC(COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@@H]2C1)Nc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647333", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FJHAOQCFLAAAPR-GJZGRUSLSA-N", "SMILES:COC[C@@H](COCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@@H]2C1)Oc1cn[nH]c(=O)c1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646537", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BANSZVBMEHYKAV-LOACHALJSA-N", "SMILES:O=C(CCOCC1CCN1c1cn[nH]c(=O)c1C(F)(F)F)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BANSZVBMEHYKAV-GJZGRUSLSA-N", "SMILES:O=C(CCOC[C@@H]1CCN1c1cn[nH]c(=O)c1C(F)(F)F)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646565", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGLOXUYFVGTBLU-HOTGVXAUSA-N", "SMILES:O=C(CCOC[C@@H]1CCCN1c1cn[nH]c(=O)c1C(F)(F)F)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647306", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHETVACOVPHTEO-SLTAFYQDSA-N", "SMILES:O=C(CCOC1CC(Nc2cn[nH]c(=O)c2C(F)(F)F)C1)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHMJGOPWJYAQLC-GJZGRUSLSA-N", "SMILES:O=C(CCOC[C@@H]1CCN1c1cn[nH]c(=O)c1C(F)(F)F)N1CCN2c3ncc(Cl)cc3OC[C@@H]2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639227", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEAITLIXXRWGSA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CN2CCOCC2)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWRMRNAKAKNECC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(CN2CCOCC2)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIACWRGYLSJTHZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQNDHDJDEWXTMG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAFQWEQWRHOZPT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(OC)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNOVINNHEMOALH-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIPHHPDJSWAKGF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cl)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEYYUCIZNRPFKP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)C(=O)C2CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFIMULHRHZVEMW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(NC(=O)C2CC2)c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WINGQSLMFDMLLS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(NC(=O)C2CCOCC2)c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYUMCNFKBIJDBL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(NC(=O)C2CCCCC2)c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZDGJKZRNWNLGO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(NCC)c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MGGPEICFYAGHKB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(NC2CCOCC2)c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWDLIPRYMHGZRB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQGTHCDOCTHQL-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646567", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CEBIEAYELQYLTP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2COC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMQJRSFNGXRXDY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SZEMYYYMLJAZTJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(C)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXHQMBYAFROROM-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(OC)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647187", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGSHLMUEPGZSPT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cl)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640008", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCCCKVYVYKWZFB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DXENKFXNWGCCGG-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(Cl)cc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639104", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWRVLKJTPQMDKY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(F)cc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIEJHHYMJNLTAI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Cl)c(F)cc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBZOQYXKOKKPDV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)c(F)cc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMWDPZAVRMFJEY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)ccc1Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQDLYACDSBBFTC-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccn(C(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639809", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTIOSROQYUEEQJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDGMVTNCZPUDPP-UHFFFAOYSA-N", "SMILES:C=C(F)C(=O)Nc1cc(F)ccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATNAOKUIYWXNGZ-BQYQJAHWSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(F)cc3NC(=O)/C=C/CN(C)C)cc(N(C)C3CCOCC3)c2C)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAVAOSZKFFYEBB-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)ccc1-c1cc(C(=O)NCc2c(CCC)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJPABTXFCLJOAY-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)ccc1-c1cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEIZJPMLDLKNGP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(F)ccc1-c1cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCPNLUMDFFZLIH-GZAOZUBMSA-N", "SMILES:COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASWXZMVWKCEQJX-PSYZWBJOSA-N", "SMILES:COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647627", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDPMHGUIEQRHNK-PSYZWBJOSA-N", "SMILES:CSCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTLFOMRGFPQLAM-CENQWQLUSA-N", "SMILES:CN(C)CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZQLAKQHNHBYLF-PSYZWBJOSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGTCAQYFUFVZDL-CUNLUVCHSA-N", "SMILES:CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVWULBPQEFLQJN-TUIQHYKLSA-N", "SMILES:CC(C)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGPQGDDEVVCVMA-WBYAUDGUSA-N", "SMILES:CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639337", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DBZSAGCQOQTYQN-JXKYSLRESA-N", "SMILES:O=C(O)c1ccc(-c2ccc(/C=C3\\S/C(=N\\c4ccccc4)N(C4CCCC4)C3=O)o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647514", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DJGIMFTYZSLQLR-QUSCMMCHSA-N", "SMILES:COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639320", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBLSYBIYCHLVHP-ARDTVSTASA-N", "SMILES:CCOC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDSWTJPJAVWRJC-GZAOZUBMSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccc(OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKNFQCSKGKWEHP-BXHPTCRHSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccc(Cl)cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJMGXBCLOSRXOE-JXKYSLRESA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1N(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQMLMRVZVNFPGJ-VDJWSQCXSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXNRAZKQEACKCC-HZPABMAHSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1cccc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JUYYPVMNIBWZEH-HZPABMAHSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccc2ccccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAMSEVKWHMOORV-GZAOZUBMSA-N", "SMILES:CSCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVPKQNJBZVXDJT-ZHUSSGSBSA-N", "SMILES:CSCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LSCIXSPTAHVGKT-RKPXCYKHSA-N", "SMILES:CSCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1ccccc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPNCPZMOSBBBSE-VDJWSQCXSA-N", "SMILES:COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWYVWEAGGKBLGP-VDJWSQCXSA-N", "SMILES:CSCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEWGUNFDWVOYHN-ZXQIJLNISA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(CCC(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646507", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXRKDMJIIIYEDX-PKVADCEASA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GYLBSBDPQWRMKM-SHSCQTOKSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639795", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KERBRKPSVIGRHS-HPWCONDSSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)NCC(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBEFNSZNIZPDAI-CALHZMJBSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYFQWSUKGBFPGX-DCHJABOQSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNVDRVPLDJHTMW-XXJPVGTRSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)N4CCC[C@H]4C(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLWKXWPCCFBIGP-HPWCONDSSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(NC(=O)CC(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646770", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIZKWTYMAWLSMC-KMQPVVIOSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(NC(=O)CCC(=O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SAOBFGSBWBLEFI-ORVWWNJKSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(B(O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDRYVAYDKPVBMU-ORVWWNJKSA-N", "SMILES:COCCN1C(=O)/C(=C/c2ccc(-c3ccc(B(O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AOEGCDLLHHJRKB-ORVWWNJKSA-N", "SMILES:CSCCN1C(=O)/C(=C/c2ccc(-c3ccc(B(O)O)cc3)o2)S/C1=N\\c1cccnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646658", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCDILEMZRYAQEG-KFLOGIKRSA-N", "SMILES:CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)cc2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSUKWCQAJXSKBG-KFLOGIKRSA-N", "SMILES:CCCN1C(=O)/C(=C/c2cccc(-c3ccc(C(=O)O)cc3)c2)S/C1=N\\c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5642542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVVWBNRLLHVHHR-FUSAAYRXSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\OCCCC(=O)N1CCN(C(=O)c2ccc(Cc3n[nH]c(=O)c4ccccc34)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKEPWEMBKYPJEE-XEFBYOCSSA-N", "SMILES:O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647255", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTCHVZBUKUKYRO-XEFBYOCSSA-N", "SMILES:O=C1Nc2ccc(Br)cc2/C1=C1/Nc2ccccc2/C1=N\\OCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRCXMEAOZZGVGU-XEFBYOCSSA-N", "SMILES:O=C1Nc2ccccc2/C1=C1/Nc2ccc(F)cc2/C1=N\\OCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639613", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZUYGLVUFWFFAP-QTLIJNJRSA-N", "SMILES:O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccc(F)cc2/C1=N\\OCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5556372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLRHVKWCIIKLON-UHFFFAOYSA-N", "SMILES:COc1ccc(C(=O)Nc2cc(-c3ccnc(N4CCC(O)CC4)c3)ccn2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4762845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZCUMZWULWOUMD-NDEPHWFRSA-N", "SMILES:COc1cc(F)ccc1-c1cc(Nc2cc(C[S@@](C)(=N)=O)ccn2)ncc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5592591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QZYSDYWERAHYII-UHFFFAOYSA-N", "SMILES:CN1CCN(C2CCN(c3ccc(Nc4nccc(-c5cn(C)c6ccccc56)n4)cc3NS(=O)(=O)C3CC3)CC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5589715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBVWTVAJGQIBKK-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2ccc(Nc3nccc(-c4cn(C)c5ccccc45)n3)cc2NS(C)(=O)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639957", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFZDVGKWAIHINC-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(O)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647248", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIKWXLBWBBWUSP-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)NCC)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSPPTTVFELUAOM-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFMXMWCCDHJPNA-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639715", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVPFOQHZKHNKLR-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(OCC(=O)O)cc2)cc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640036", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ULIQIXSXQQBMIA-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCEQBUZJYBIUIW-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICOWTQQIXMYVII-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(O)cc2)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQUXUIWLJWOKQB-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(OC)cc2)cc1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641746", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPBCXBMRRPORQY-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(OCC(=O)O)cc2)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFBCPBDHCSEDDJ-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(OCC(=O)O)cc2)cc1)c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVDOQHXJPHLRDW-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(OCC(=O)O)cc2)cc1)c1cccc(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VTXINFHZSAMGMN-WUKNDPDISA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(O/C=C/C(=O)O)cc2)cc1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZXXUAAIIGOZQSU-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N(Cc1ccc(-c2ccc(OCCC(=O)O)cc2)cc1)c1cccc(F)c1"]}
{"name": "Leukotriene B4 receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL3149"], "id": "UniProtKB:Q9JJL9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNAZGWHUHOMMQG-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccccc2)cc2c(C#Cc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OIYWWKBIBPZHKJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc3c(C#Cc4ccccc4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIRYJVHHTZRKFK-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc3c(C#Cc4ccccc4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTRISKUXMWRZDE-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(C#Cc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUOUZEWEGJOWPH-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)c2cc3c(C#Cc4ccccc4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639284", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MNBBGFKDIKPROJ-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(F)cc2)cc2c(C#Cc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIIMULUANHVLKU-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(C#Cc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SLTQRYBZNNZUFJ-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(C#Cc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639241", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNDKKKWUSNEYOG-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(C#Cc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647554", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWNCNEQCJBNGAK-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(I)cc2)cc2c(C#Cc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639200", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYUAQJFHYURUBX-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2cccc(Cl)c2)cc2c(C#Cc3ccccc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647353", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFWXWUGMVBETTM-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccccc2)cc2c(C#Cc3ccc(F)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639506", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QODQUEYKOYBEOE-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc3c(C#Cc4ccc(F)cc4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVOKFSIMGWCMKW-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc3c(C#Cc4ccc(F)cc4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBGLPYMHAKBQAJ-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(C#Cc3ccc(F)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MIMTZWGAUJTZQM-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)c2cc3c(C#Cc4ccc(F)cc4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYGGHUWWCQBVDM-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(F)cc2)cc2c(C#Cc3ccc(F)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJMMEUBVUBIBX-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(C#Cc3ccc(F)cc3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641731", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANCMYZQOXZCOHJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2ncnc3c2cc(C(=O)Nc2ccccc2)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXLCTHKAMXFYGB-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc3c(C#Cc4ccc(C)cc4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LULBKUBAVVXECF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2ncnc3c2cc(C(=O)Nc2ccc(C)cc2)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639349", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXZBZZUEMXORTL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2ncnc3c2cc(C(=O)Nc2ccc(N(C)C)cc2)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRPBKYQYTHIHLE-UHFFFAOYSA-N", "SMILES:Cc1ccc(C#Cc2ncnc3c2cc(C(=O)Nc2ccc(F)cc2)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JAKSBSDMCIQHHD-UHFFFAOYSA-N", "SMILES:COc1ccc(C#Cc2ncnc3c2cc(C(=O)Nc2ccc(OC)cc2)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639945", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSCHKFPTKBWYKN-UHFFFAOYSA-N", "SMILES:COc1ccc(C#Cc2ncnc3c2cc(C(=O)Nc2ccc(C(C)(C)C)cc2)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMUMRCVIVBUVEB-UHFFFAOYSA-N", "SMILES:COc1ccc(C#Cc2ncnc3c2cc(C(=O)Nc2ccc(N(C)C)cc2)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWFFZESWAPUGSE-UHFFFAOYSA-N", "SMILES:COc1ccc(C#Cc2ncnc3c2cc(C(=O)Nc2ccc(C)cc2)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647243", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQLKCPXQGXONTG-UHFFFAOYSA-N", "SMILES:COc1ccc(C#Cc2ncnc3c2cc(C(=O)Nc2ccccc2)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLYQQXJSFZIKCC-UHFFFAOYSA-N", "SMILES:COc1ccc(C#Cc2ncnc3c2cc(C(=O)Nc2ccc(F)cc2)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAWIFJNSLXMYAE-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(F)cc2)cc2c(C#Cc3ccccn3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKVXNDKETASPLG-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc3c(C#Cc4ccccn4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647347", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMGQQCAAOCCNOC-UHFFFAOYSA-N", "SMILES:Cn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(C#Cc3ccccn3)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PFMWDPGRKRUDBY-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(NC(=O)c2cc3c(C#Cc4ccccn4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYCLXRKBFGVTSJ-UHFFFAOYSA-N", "SMILES:COc1ccc(NC(=O)c2cc3c(C#Cc4csc(C)n4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641812", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YXUKJCBWFBVADD-UHFFFAOYSA-N", "SMILES:Cc1ccc(NC(=O)c2cc3c(C#Cc4csc(C)n4)ncnc3n2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXQXZAOUJRAJBR-UHFFFAOYSA-N", "SMILES:Cc1nc(C#Cc2ncnc3c2cc(C(=O)Nc2ccccc2)n3C)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL66654", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEWKHUASLBMWRE-UHFFFAOYSA-N", "SMILES:Cc1cccc(C#Cc2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4639395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OQFCHSFVWSLDAO-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSOYDDRLDHJCDA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YMBKIRATURTJBH-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nc(Oc2ccccc2S(C)(=O)=O)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMSBTGPCCLQOJO-UHFFFAOYSA-N", "SMILES:COc1ccccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2nc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ADXOBKLIFWSUHW-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2ccccc2)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBBLWWYKJFZGZ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2ccncc2)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZYBRTIKFORIFQ-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2cccnc2)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646757", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVANCVZZUFEJDW-UHFFFAOYSA-N", "SMILES:Cc1ncccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUJZLWZXSAPMHF-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCNC(=O)OC(C)(C)C)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YINSUPRSKKZRJG-UHFFFAOYSA-N", "SMILES:Cc1cncc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCNC(=O)OC(C)(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCZKEZBSPNHIIJ-UHFFFAOYSA-N", "SMILES:Cc1ccncc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639149", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PLSUQFAFVNWHAS-UHFFFAOYSA-N", "SMILES:CCc1ncccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOXNKUUWBNIVLF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2cccnc2C(C)(C)C)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639478", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQHMHTABPFPYFF-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2cccnc2F)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639102", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AKLYALBMSYRMPL-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2ccc(F)nc2)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSBZBJYXMYHUSM-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2cccnc2Cl)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBVZMZJBKJPMSR-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2cccnc2C(F)(F)F)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMQISDPAQWAGDL-UHFFFAOYSA-N", "SMILES:CC(C)(C)OC(=O)NCCCCn1c(NC(=O)c2ccc(C(F)(F)F)nc2)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWGLECINFFKONK-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2nc3cc(C(N)=O)ccc3n2CCCCNC(=O)OC(C)(C)C)c(C)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641818", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRXVDABPHOTRB-UHFFFAOYSA-N", "SMILES:Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNZQKLLSOHBXHR-UHFFFAOYSA-N", "SMILES:Cc1ncccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDNQXKPIVNDDOO-UHFFFAOYSA-N", "SMILES:Cc1ncccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCNC(=O)OC(C)(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHWRJEGCLOKDIZ-UHFFFAOYSA-N", "SMILES:Cc1ncccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGQIATZDATZVMH-UHFFFAOYSA-N", "SMILES:Cc1ncccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXRNLCULXOREDO-UHFFFAOYSA-N", "SMILES:Cc1ncccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCN"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:STYSNDGAPFGZFS-UHFFFAOYSA-N", "SMILES:CC(=O)NCCCCn1c(NC(=O)c2cccnc2C)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639203", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FFUBFEBQSQUXKD-UHFFFAOYSA-N", "SMILES:Cc1ncccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCNC(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646714", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOVSQTMIUONPOZ-UHFFFAOYSA-N", "SMILES:CCn1nc(C)cc1C(=O)NCCCCn1c(NC(=O)c2cccnc2C)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647543", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIEIZKWGVHESPP-UHFFFAOYSA-N", "SMILES:Cc1ncccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGUYXKWBHZVXKI-VOTSOKGWSA-N", "SMILES:COc1cc(C(N)=O)cc2nc(NC(=O)c3cccnc3C)n(C/C=C/CNC(=O)OC(C)(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDIDYOWPMIYQDA-VOTSOKGWSA-N", "SMILES:COc1cc(C(N)=O)cc2nc(NC(=O)c3ccc(C(F)(F)F)nc3C)n(C/C=C/CNC(=O)OC(C)(C)C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646777", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNJYXTGYPHMFIB-UHFFFAOYSA-N", "SMILES:Cc1ncccc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCn1c(NC(=O)c2cccnc2C)nc2cc(C(N)=O)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639279", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DYNPVDYEHXTYCX-IRXDYDNUSA-N", "SMILES:N[C@H]1CC[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccc(-c6ccoc6)cc5[nH]4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWOKQKDECXYVRW-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BVHFDUHYUHQVQD-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(F)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639175", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMCAYGULYVYLRZ-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(-c3n[nH]c4ccc(C(=O)NCCCN)cc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRSCUMJMQRUPW-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VETOPJAZNDMWII-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(-c3n[nH]c4ccc(C(=O)NCCCN)cc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647564", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOIMPEDBFWTTBQ-UHFFFAOYSA-N", "SMILES:COCCOc1ccc2nc(-c3n[nH]c4ccc(C(=O)NCCCN)cc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VPDPUIWTHVBNHU-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(N5CCCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639601", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRWGNEGIGKTCBT-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(N5CCCCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEYQECVFKYUXBQ-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc3nc(-c4n[nH]c5ccc(C(=O)NCCCN)cc45)[nH]c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQAPAQGSLNVRCY-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEFYCXHOZZHCMJ-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(-c5ccccc5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBQGAHUTZZDUIQ-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccc3nc(-c4n[nH]c5ccc(C(=O)NCCCN)cc45)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639197", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYEUJNDXBMPYJP-UHFFFAOYSA-N", "SMILES:CN(C)c1ccc(-c2ccc3nc(-c4n[nH]c5ccc(C(=O)NCCCN)cc45)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHINNIUACCSONZ-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(-c5ccncc5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639649", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQPTZRROHGPOFR-UHFFFAOYSA-N", "SMILES:NCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(-c5ccoc5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QTLJZOHRQMPSKY-UHFFFAOYSA-N", "SMILES:NCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIBFHGVGHVFUDQ-UHFFFAOYSA-N", "SMILES:NCCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZNIDVLAMCCRG-UHFFFAOYSA-N", "SMILES:CC(CN)CNC(=O)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVZXYQLZWKIZEY-UHFFFAOYSA-N", "SMILES:CNCCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVCPBSNYNJDZFM-UHFFFAOYSA-N", "SMILES:CN(C)CCCNC(=O)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POHHLTTZWUKBKM-CVEARBPZSA-N", "SMILES:N[C@@H]1CC[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccc(N6CCOCC6)cc5[nH]4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:POHHLTTZWUKBKM-HOTGVXAUSA-N", "SMILES:N[C@H]1CC[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccc(N6CCOCC6)cc5[nH]4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646484", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNCWNYNDBFFMSB-UHFFFAOYSA-N", "SMILES:O=C(NC1CNC1)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLFWVYYAQCOHDG-UHFFFAOYSA-N", "SMILES:O=C(NCC1CNC1)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646535", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMSXJTHWCPQMPY-UHFFFAOYSA-N", "SMILES:O=C(NCCC1CNC1)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639694", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWJLMTZDFIOWJO-OAHLLOKOSA-N", "SMILES:O=C(N[C@@H]1CCNC1)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBHLYOHVVWCPU-HNNXBMFYSA-N", "SMILES:O=C(NC[C@H]1CCNC1)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBHLYOHVVWCPU-OAHLLOKOSA-N", "SMILES:O=C(NC[C@@H]1CCNC1)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639471", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIQHNVGHLIRWOS-UHFFFAOYSA-N", "SMILES:O=C(NC1CCNCC1)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGCICUSVYRCISF-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCNCC1)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646477", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANPMCUJMIIPYON-UHFFFAOYSA-N", "SMILES:O=C(NCC1CCCNC1)c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZKOFVTYSHCUFI-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647092", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATDVQEPZUNIHOK-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1)N1CCCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSBBMXMVVBDVGT-UHFFFAOYSA-N", "SMILES:NC1CCN(C(=O)c2ccc3[nH]nc(-c4nc5ccc(N6CCOCC6)cc5[nH]4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCSCIPYSCCGWLW-UHFFFAOYSA-N", "SMILES:NCC1CCCN(C(=O)c2ccc3[nH]nc(-c4nc5ccc(N6CCOCC6)cc5[nH]4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639571", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGDIZQFRLZFGOY-UHFFFAOYSA-N", "SMILES:O=C(c1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1)N1CC2(CNC2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBGKTYDAJPCSJV-CALCHBBNSA-N", "SMILES:N[C@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccc(N6CCOCC6)cc5[nH]4)c3c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641673", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DAFHSKGYWWBZJG-STQMWFEESA-N", "SMILES:COc1ccc2nc(-c3n[nH]c4ccc(C(=O)N[C@H]5CC[C@H](N)C5)cc34)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647669", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JJKNRCKZEWCQES-HOTGVXAUSA-N", "SMILES:N[C@H]1CC[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccc(N6CCCC6)cc5[nH]4)c3c2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSDHKBSYINDKKG-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647542", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKZSCEAPZMUGIA-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccccc3)nc3[nH]nc(N)c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639262", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVKGFLLNDNOWDQ-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccccc3)nc3[nH]nc(N)c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647220", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XIWRLCHTIRNUMX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(Br)cc3)c3c(N)n[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5177941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GFPJBQCGOUPXQD-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)n[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBQXHKRLWWMCTB-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)c3c(N)n[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639307", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALZYXIILSHUDQY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)c3c(N)n[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APPRVPLQWUIXSC-UHFFFAOYSA-N", "SMILES:Nc1n[nH]c2nc(-c3ccc(Br)cc3)cc(-c3ccc(Br)cc3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNRWPCFBMZHWCW-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(Br)cc3)nc3[nH]nc(N)c23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646721", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFUZORHXMOWNMN-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(-c3ccc(Br)cc3)nc3[nH]nc(N)c23)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647222", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHQRTHFSQUICQR-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(-c3ccc(Br)cc3)nc3[nH]nc(N)c23)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647318", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJAASDUWICMFSA-TZIGXLGFSA-N", "SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNQDLCRSSNYITR-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(Oc2ccc(Cl)cc2OCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPDXVYQIPANFEI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(COc2cc(Cl)ccc2Oc2cc(Cl)cc(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XXBJSPORDRYJNJ-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(Oc2ccc(Cl)cc2OCCc2ccccc2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646768", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKEJVDFTNRUUBQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CCOc2cc(Cl)ccc2Oc2cc(Cl)cc(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IXONXFAUUIBELD-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(Oc2ccc(Cl)cc2OCCc2cccc(S(=O)(=O)F)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647656", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLRCRPDXURBDNK-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)c1cccc(CCOc2cc(Cl)ccc2Oc2cc(Cl)cc(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639140", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQIUGWXNGWAUCB-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCOc1cc(Cl)ccc1Oc1cc(Cl)cc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639233", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QOMSOHZGJXVGPQ-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cc(Cl)cc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641740", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIUQLAHRSNRYER-UHFFFAOYSA-N", "SMILES:C=CC(=O)n1c(=O)n(CCOc2cc(Cl)ccc2Oc2cc(Cl)cc(C#N)c2)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGFTWZDKNGWBB-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cccc2cc(C#N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647299", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WLNNVBKTQQOUDW-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1ccccc1Oc1cccc2cc(C#N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639237", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LTYKKKMZPLMUMJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)n1c(=O)n(CCOc2ccccc2Oc2cccc3cc(C#N)ccc23)c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFNRRKACJGFLTI-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cccn2cc(C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647141", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJMABEZKVKXTBK-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1ccccc1Oc1cc(Cl)cn2cc(C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646797", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYJONIGGKVVRAP-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1ccccc1Oc1cccn2cc(C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUPFVOFIZHBXMD-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)CCc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTQXELUQORLKIR-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647095", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FODVGONJGOTOHH-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(Oc2cc(CCNC(=O)CCl)ccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646816", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBOUIGVVAWCXLX-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KJKPCEHIKUCUBZ-UHFFFAOYSA-N", "SMILES:CN(CCc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647350", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIKYLHJXWILHGM-UHFFFAOYSA-N", "SMILES:C=CS(=O)(=O)CCOc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646665", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXHCWXUDPUIHIJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)NCCOc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641594", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAAGMXRKCBTSOS-UHFFFAOYSA-N", "SMILES:N#Cc1cc(Cl)cc(Oc2cc(OCCNC(=O)CCl)ccc2Cl)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MYJVBQAXXKBPNA-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GROUHXDCYSFGQH-UHFFFAOYSA-N", "SMILES:CN(CCOc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1)C(=O)CCl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641806", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNIKUULABJERFS-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1ccc(Cl)c(Oc2cccc3cc(C#N)ccc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPFIOIHYQUMXGE-UHFFFAOYSA-N", "SMILES:C=CC(=O)N(C)CCOc1ccc(Cl)c(Oc2cccn3cc(C#N)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIORNPOXHBDSPJ-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CCOc1ccccc1Oc1cccc2cc(C#N)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTKNCYCOFRHJAD-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2c(Oc3ccccc3OCCC(=O)N3CCCC3)cccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UENZVQQFHDXFGK-UHFFFAOYSA-N", "SMILES:CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(C#N)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEIZFCTZWSLJCB-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(Oc3ccccc3OCCC(=O)N3CCCC3)cccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PTNLADVCXMBZFS-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(Oc3ccccc3OCCC(=O)NCC(F)F)cccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646651", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXEAIZYIBWVAEX-UHFFFAOYSA-N", "SMILES:N#Cc1cc2c(Oc3ccccc3OCCC(=O)N3CCOCC3)cccn2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639729", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWVWASPAVBANND-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZEKHKZVPHPQCL-UHFFFAOYSA-N", "SMILES:CN1CCCC(Oc2nc3ccccc3n2-c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ITDUNAGUAFBFRA-UHFFFAOYSA-N", "SMILES:CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639994", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUENORREMLOMPD-IBGZPJMESA-N", "SMILES:c1ccc(-n2c(O[C@H]3CN4CCC3CC4)nc3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639287", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULJCGFLKSMODH-PIIMJCKOSA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3ccccc3n1-c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PULJCGFLKSMODH-BCDXTJNWSA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccccc3n1-c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639538", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VBTYLZVMQCAWDY-NSBXCQRDSA-N", "SMILES:CN1[C@@H]2C[C@@H](Oc3nc4ccccc4n3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQDLDNLBJUDOFV-UHFFFAOYSA-N", "SMILES:CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHJHJYBFXRHWSS-UHFFFAOYSA-N", "SMILES:CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641756", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJRUGZIZSARHLR-ACDBMABISA-N", "SMILES:CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)N(c1ccccc1)c1ccccc1)C2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639755", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BRBVBRCNTVSDRI-UHFFFAOYSA-N", "SMILES:CN1CCN(Cc2nc3cccnc3n2-c2ccccc2C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639510", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYXUEFQHTPCDNM-UHFFFAOYSA-N", "SMILES:CN1CC(OC(=O)N(c2ccccc2)c2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIPHRNLAXGCCFD-HQPWOFCDSA-N", "SMILES:CN1[C@@H]2C[C@@H]3C[C@H]1C(O3)C2OC(=O)N(c1ccccc1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL80713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQVIIUBWMBHLOZ-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639763", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTZIKJJODWLHHP-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N(CCO)CCO)nc3c2cnn3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647232", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PNROCVKVRSRTPH-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N(CCO)CCO)nc3c2[nH]c(=O)n3C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1316965", "category": ["biolink:ChemicalEntity"], "name": "ETHAVERINE HYDROCHLORIDE", "xref": ["InChIKey:UPUDVKWQBVIKBG-UHFFFAOYSA-N", "SMILES:CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl"], "synonym": ["Ethaverine hydrochloride", "Ethaverine hcl", "Ethylpapaverine hydrochloride", "NSC-525044", "Ethaquin"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646602", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUFAORPFSVMJIW-VVAPRYPQSA-N", "SMILES:COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](NCCCCCCN4C(=O)C=CC4=O)[C@@]3(C)CC[C@@H]21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGYHGRWAQXPRKW-UHFFFAOYSA-N", "SMILES:Fc1ccccc1Cn1nc(-c2ccco2)cc1-c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRUXEBHABFUBKY-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nnc(-c2cc(F)cc(F)c2)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639574", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEHCXNWMBYILPT-UHFFFAOYSA-N", "SMILES:CCN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641625", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BMXNMHLXUACSIW-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVPXUWIUGJEGLT-UHFFFAOYSA-N", "SMILES:CCCN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYYRLEHCQRPZIC-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1nnn(CC(=O)N(C)c2ccccc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VYPGRMJSEBGAMH-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnn(CC(=O)N(C)c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639305", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OBYJASCYFDDUTG-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnn(CC(=O)N(C)c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUTFYBNJYIRZJS-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nnc(-c2ccccc2F)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JISRTICJTKAIHR-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nnc(-c2cccc(F)c2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGRBCLSOAUSQNC-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFNFEEVGXDASBZ-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nnc(-c2cc(F)cc(F)c2)n1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641717", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDJCJUCDBMAOLG-UHFFFAOYSA-N", "SMILES:COc1cccc(N(C)C(=O)Cn2nnc(-c3ccccc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AISPDYQKJQSSET-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKRBLNPAAFKDAY-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GJEHDTHYPJSNEH-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nnc(-c2ccccc2)n1)c1cccc(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMIWASJQGJDUFY-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639167", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUGSPLCFOQWFNQ-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)C(=O)Cn2nnc(-c3cccc(OC)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641800", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIQOGUVWYKKKCL-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnn(CC(=O)N(C)c3ccc(F)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRDKHVWCJHJFOC-UHFFFAOYSA-N", "SMILES:COc1ccc(N(C)C(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKHLWPKYVXSJJX-UHFFFAOYSA-N", "SMILES:CN(C(=O)Cn1nnc(-c2cccc(F)c2)n1)c1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GEKMKKDVQHAHLD-UHFFFAOYSA-N", "SMILES:COc1cccc(-c2nnn(CC(=O)N(C)c3ccc(OC)c(F)c3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGCZJPHOOZUUAU-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nnn(CC(=O)N(C)c3ccc(F)cc3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFPLLMPUAGAPHF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nnn(CC(=O)N(C)c3ccc(F)cc3)n2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL454431", "category": ["biolink:ChemicalEntity"], "name": "METHYL ORSELLINATE", "xref": ["InChIKey:NCCWCZLEACWJIN-UHFFFAOYSA-N", "SMILES:COC(=O)c1c(C)cc(O)cc1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5641765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXRDGRSCAWBSDW-UHFFFAOYSA-N", "SMILES:Cc1nn2c(-c3ccccc3)ccnc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFBDDUGKCAERNV-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccnc3c(C#N)c(C)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QWRZWSKROKOPNQ-UHFFFAOYSA-N", "SMILES:Cc1nn2c(-c3ccc(Cl)cc3)ccnc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFEFRENRYAYAGU-UHFFFAOYSA-N", "SMILES:Cc1nn2c(-c3ccc(Br)cc3)ccnc2c1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639275", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPMRLHDJUKOVLF-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3c(C#N)c(C)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639075", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLQUFLGKEIZSHA-UHFFFAOYSA-N", "SMILES:Cc1nn2c(-c3ccccc3)ccnc2c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HMXNAVSIMZRCNZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccnc3c(C(N)=O)c(C)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647201", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEBJGJOGYMUDIV-UHFFFAOYSA-N", "SMILES:Cc1nn2c(-c3ccc(Cl)cc3)ccnc2c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647443", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OGJHYZPOJBSQJC-UHFFFAOYSA-N", "SMILES:Cc1nn2c(-c3ccc(Br)cc3)ccnc2c1C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641579", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHWDZAHCJVSWQX-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3c(C(N)=O)c(C)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUWKEFCPLBPYPS-UHFFFAOYSA-N", "SMILES:Cc1nn2c(-c3ccccc3)ccnc2c1/C(N)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UODOVESKEUAVCH-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccnc3c(/C(N)=N/O)c(C)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639131", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPMGWZOVBXDTHU-UHFFFAOYSA-N", "SMILES:Cc1nn2c(-c3ccc(Cl)cc3)ccnc2c1/C(N)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWHMMNCEQSPPJR-UHFFFAOYSA-N", "SMILES:Cc1nn2c(-c3ccc(Br)cc3)ccnc2c1/C(N)=N/O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZHVWHJCQOJHTP-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3c(/C(N)=N/O)c(C)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647522", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYTKRHWUZSNWFH-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2c(C)nn3c(-c4ccccc4)ccnc23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647121", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PODLLTJGWGYBDR-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2ccnc3c(-c4noc(C)n4)c(C)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFTSGFILTZXQSJ-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2c(C)nn3c(-c4ccc(Cl)cc4)ccnc23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHDWIGULMZBHAT-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2c(C)nn3c(-c4ccc(Br)cc4)ccnc23)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639303", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VDXGLZJPQRGNLY-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2ccnc3c(-c4noc(C)n4)c(C)nn23)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647586", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XSORFODKYDJTGR-SNVBAGLBSA-N", "SMILES:Cn1cc(-c2cnn3c(N)cc([C@@H]4CCCNC4)nc23)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646761", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIOCKFNYZFCIJD-MPLRIKRWSA-N", "SMILES:CC1(C)C(/C=C/C2=C(Oc3ccc(C[C@H](NC(=O)c4ccc(CCCCc5cc6c(=O)[nH]c(N)nc6[nH]5)cc4)C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccccc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21"]}
{"name": "Folate receptor alpha", "xref": ["CHEMBL.TARGET:CHEMBL6066223"], "id": "UniProtKB:P35846", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647334", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMUXGYFBHBUDHU-GGCSAXROSA-N", "SMILES:CC1(C)C(/C=C/C2=C(Oc3ccc(C[C@H](NC(=O)c4ccc(CCCCc5cc6c(=O)[nH]c(N)nc6[nH]5)s4)C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccccc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641722", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NUVAJPGEDMWANE-DYVQZXGMSA-N", "SMILES:CC1(C)C(/C=C/C2=C(Oc3ccc(C[C@H](NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccccc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UQPOGHMCOMIUMZ-SJARJILFSA-N", "SMILES:CC1(C)C(/C=C/C2=C(Oc3ccc(C[C@H](NC(=O)CNC(=O)Cc4cc5c(=O)[nH]c(N)nc5[nH]4)C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccccc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIEJBWZRFWTBRB-LHEWISCISA-N", "SMILES:CC1(C)C(/C=C/C2=C(SC[C@H](NC(=O)CNC(=O)Cc3cc4c(=O)[nH]c(N)nc4[nH]3)C(=O)O)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccccc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATRXJXYVJGYHJY-WVILEFPPSA-N", "SMILES:CC1(C)C(/C=C/C2=C(SC[C@@H](NC(=O)CC[C@H](NC(=O)CNC(=O)Cc3cc4c(=O)[nH]c(N)nc4[nH]3)C(=O)O)C(=O)O)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccccc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21"]}
{"name": "Folate receptor beta", "xref": ["CHEMBL.TARGET:CHEMBL6067629"], "id": "UniProtKB:Q05685", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AIKJBINJGKQOJL-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCCCCCC(=O)Nc4ccccc4N)cc3)cc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHZNGWUQJVHMBC-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)Nc4ccc(F)c(F)c4N)cc3)cc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639116", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWUDZSUNDZMQRH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639808", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APRJPNPGQRAMOE-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641748", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLXKYRWQAZXZPM-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHXATVCQVLJMCL-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFJCPEVUQYVNFU-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639202", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJHPOVYSWWNXFM-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(OC4COC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646792", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RDPNVZVVFNCXJA-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNLCBFBVMYAPNZ-UHFFFAOYSA-N", "SMILES:Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDTZHUZPXHQHDW-UHFFFAOYSA-N", "SMILES:Nc1c(NC(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)ccc(F)c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647285", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJOTWYIONLTUSR-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646494", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BHGPKRWQJNEAQH-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646723", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTOYOHIYOYUJEA-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)Nc4ccccc4N)cc3)cc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641600", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJIDAWKRSBZDFA-UHFFFAOYSA-N", "SMILES:COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCCCCCCC(=O)Nc4ccccc4N)cc3)cc2)nc(N2CCOCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJQRHWLPZZZHOF-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(OC4COC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647223", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOGULZVZXCDUKD-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(OC4COC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSJKTFWURLJSPZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(OC4CCOC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQFMZVJORWNYGZ-UHFFFAOYSA-N", "SMILES:Nc1ccccc1NC(=O)CCCCCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(OC4CCOC4)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHRDCLZTHCOWGQ-UHFFFAOYSA-N", "SMILES:CNCCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(OC)nc(N4CCOCC4)n3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGDUDEQHTGOSKJ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccc(=O)[nH]c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPVDGKCPBRRJGZ-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3cccnc3)cc3[nH]c(=O)ccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORNRLWNPTCNJNC-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccccc3)cc3[nH]c(=O)ccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647122", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URXYNEQSEHKSSY-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3cccc4ccccc34)cc3[nH]c(=O)ccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646621", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FWUSKFGOQPGORO-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(Br)cc3)cc3[nH]c(=O)ccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SREMZTQRZOHQEH-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)cc3[nH]c(=O)ccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641670", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQZFEFMMNKDYOS-UHFFFAOYSA-N", "SMILES:COc1c(C)cccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BOVVAPSGBJVTRH-UHFFFAOYSA-N", "SMILES:COc1cccc(OC)c1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccc(=O)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWYNECYPLCBWPD-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(Oc4ccccc4)cc3)cc3[nH]c(=O)ccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647079", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IWNODMMCUGDXIK-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c4ccc(=O)[nH]c4c3)ccc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBFWBIGEWCZBFG-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C(=O)O)cc3)cc3[nH]c(=O)ccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOKSQKDWZQHTLM-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccc(=O)[nH]c3c2)ccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647466", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LVKOPVQOKWZMQB-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c(CNC(=O)c2cc(-c3ccc4ncccc4c3)cc3[nH]c(=O)ccc23)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSJUHCFHDPJQKY-YDZHTSKRSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XUPFXIANJPCHOH-YDZHTSKRSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646900", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGAFAPTWRSCOMT-WGOQTCKBSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646509", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLBRXHLLVWSKLU-WPWMEQJKSA-N", "SMILES:C/C(=N\\NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647480", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJQHVOYJPRTPPM-LPYMAVHISA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639251", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDXLXXVMTHZRJK-LPYMAVHISA-N", "SMILES:C/C(=N\\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccco2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646765", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNVVDKOQHFHOQI-OEAKJJBVSA-N", "SMILES:COc1ccc(C(=O)N/N=C(\\C)c2ccc(NC(=O)c3ccco3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646539", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HQTUWSWBTYGWFB-ZVHZXABRSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NXLRKVVIWYJNMG-ZVHZXABRSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646705", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNQZQVWFSGZRJS-WPWMEQJKSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639148", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGDVINCHCZMPJN-MTDXEUNCSA-N", "SMILES:C/C(=N\\NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKAOBMMXHFCZCZ-OEAKJJBVSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:COPYZSNGSBWTJV-OEAKJJBVSA-N", "SMILES:C/C(=N\\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)Cc2cccs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQURQADMFYKEU-BUVRLJJBSA-N", "SMILES:COc1ccc(C(=O)N/N=C(\\C)c2ccc(NC(=O)Cc3cccs3)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647288", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LWFRDDWJQUPCPJ-VMPITWQZSA-N", "SMILES:Oc1ccc(O)c(/C=C/c2nc3ccccc3s2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL44747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GNKKDFRNLWHCEP-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccccc2s1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646377", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ACJGDWVOXCDEEW-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647526", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKZHYDCFBSQORW-VMPITWQZSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646739", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VAVBDUNOXWILAI-AATRIKPKSA-N", "SMILES:O=C(/C=C/c1cc(O)cc(O)c1)Nc1nc2ccccc2s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647584", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NAVYAOVBUQLFKE-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(F)cc2s1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HLEXXOKRYPKCMF-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc2ccc(F)cc2s1)c1cc(O)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647572", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVBJWMPYLLWMSH-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(NC(=O)c3ccc(O)c(O)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WPQXTLFJIILUSM-QPJJXVBHSA-N", "SMILES:Cc1ccc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHAFAVYIMXCZOP-XVNBXDOJSA-N", "SMILES:Cc1ccc2nc(NC(=O)/C=C/c3cc(O)ccc3O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647432", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGFMXIYIOWFIJJ-HWKANZROSA-N", "SMILES:Cc1ccc2nc(NC(=O)/C=C/c3cc(O)cc(O)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647238", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVRCTWAIFLHEJG-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccc2scnc2c1)c1ccc(O)c(O)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647486", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIPRWMLUROEYOP-QHHAFSJGSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKZSKMCLDVFAFR-LZCJLJQNSA-N", "SMILES:O=C(/C=C/c1cc(O)ccc1O)Nc1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647645", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PEMUDTCCZMJIAB-DAFODLJHSA-N", "SMILES:O=C(/C=C/c1cc(O)cc(O)c1)Nc1ccc2scnc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639646", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJBINXWGLPBAR-SOFGYWHQSA-N", "SMILES:Oc1ccc(/C=C/c2nc3ccccc3s2)cc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639110", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASROSTWTDZLUBL-QHHAFSJGSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(O)c(O)c3)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQKCMTGOLJDUEV-LZCJLJQNSA-N", "SMILES:O=[N+]([O-])c1ccc2nc(/C=C/c3cc(O)ccc3O)sc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JODWESZPTTZJIC-JSPOZBCSSA-N", "SMILES:CC1(C)O[C@@]23CC[C@@]4(C)[C@@](O)(CC[C@@H](CC(=O)c5ccccc5N)[C@]4(C)C(=O)O)C2=CC(=O)[C@@H]1O3"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJIDVVYQAVGBMM-LYWYBQTLSA-N", "SMILES:C[C@H](CCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IDTYSHBPDNXECB-PDWFKUSUSA-M", "SMILES:C[C@H](CCCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[K+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MADXUPSFGIMCIF-ZRXQDSHASA-L", "SMILES:C[C@H](CCCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646578", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KFMFANFNCYFOLB-WLYWKNFRSA-L", "SMILES:C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQZVBMLIKBIUNU-ZRXQDSHASA-L", "SMILES:C[C@H](CCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+]"]}
{"name": "CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL6066422"], "id": "UniProtKB:P54751", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641631", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQOXNDSAWLDQI-UXRCSBNESA-N", "SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)Nc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)[C@H]3CC[C@]12C"]}
{"name": "CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL3596076"], "id": "UniProtKB:Q11203", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Integrin beta-4", "xref": ["CHEMBL.TARGET:CHEMBL6066233"], "id": "UniProtKB:P16144", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646674", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONBKPUAOYZRALM-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3c(N)nc4ccccc43)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VWRMLQZARDJXOG-UHFFFAOYSA-N", "SMILES:COc1cccc(COc2ccc(Cn3c(N)nc4ccccc43)cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639219", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKZKGYWRKUUELV-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646560", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRDCIXQWITVYDE-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(SC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IHDRIKZFZJDLCJ-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(OC(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647207", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZRQDQAZNFHTEW-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641532", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DZOYWNPKCKEAPY-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641737", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AFEFAAYXJDTDGJ-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3c(N)nc4ccccc43)cc2OC)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGJNNVVYEYQQMA-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3c(N)nc4ccccc43)cc2OC)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641516", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IOIZFKXZLBTAAR-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3c(N)nc4ccccc43)cc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646475", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JMCPYEWZCLFLDW-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(C(F)(F)F)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639719", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEHBLANLOPQEMH-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3c(N)nc4ccccc43)cc2OC)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGBYUMPDDCPHHG-UHFFFAOYSA-N", "SMILES:COc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1cnn(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639228", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMCQAKHJJKZZHY-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3c(N)nc4cccnc43)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647626", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MKBCZXPMSLSGOM-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3cnc4ccccc43)cc2OC)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXPAHRCRYWMXQD-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3cnc4cccnc43)cc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641570", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GVSGAPOLWMZXNR-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3cnc4cc(C(=O)N(C)C)cnc43)cc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639286", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGMUAMIMZXIUOT-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3cnc4cc(C(=O)N5CC6(COC6)C5)cnc43)cc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3673454", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIJKGBMUSGQZJO-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3cnc4cc(N5CCN(C)CC5)cnc43)cc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641718", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFWYFFBRKHWQDQ-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3cnc4cc(OC5CCNCC5)cnc43)cc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3673467", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCLCQJKIOXPDMP-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3cnc4cc(-n5cc(C(C)(C)N)nn5)cnc43)cc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXNBFQQSVWHOOC-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3cnc4cc(C#CC5CCNC5)cnc43)cc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5642438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFDZNZIKVJWBKQ-UHFFFAOYSA-N", "SMILES:COc1ccc(COc2ccc(Cn3cnc4cc(C#N)cnc43)cc2OC)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4164790", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VSUWUPBJFVALAP-VMPITWQZSA-N", "SMILES:COc1ccc(CCOC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646616", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IVORSJCMCHESLI-XBXARRHUSA-N", "SMILES:COc1ccc(OC)c(CCOC(=O)/C=C/c2ccc(O)c(O)c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646452", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UFWLZHNIKRQTQY-GQCTYLIASA-N", "SMILES:COc1cc(CCOC(=O)/C=C/c2ccc(O)c(O)c2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2441915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWHGBSSOMBBXCJ-WEVVVXLNSA-N", "SMILES:COc1ccc(CCOC(=O)/C=C/c2ccc(O)c(O)c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639117", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DDRHYAGHGVIISI-ZZXKWVIFSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646724", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XTHDHKSJZMCPPT-XBXARRHUSA-N", "SMILES:COc1ccc(CCOC(=O)/C=C/c2ccc(O)c(O)c2)c(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647492", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMAWRIOUYSTFOA-SOFGYWHQSA-N", "SMILES:O=C(/C=C/c1ccc(O)c(O)c1)OCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639593", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBRRPUKMUGTQR-ZHACJKMWSA-N", "SMILES:O=C(/C=C/c1ccccc1)OCCc1c[nH]c2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641766", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXFSHZODXXNSEC-PKNBQFBNSA-N", "SMILES:COc1ccc(CCOC(=O)/C=C/c2ccccc2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641672", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCJPULSXBJOKRL-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccccc4[nH]3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646802", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NTEFACZEAMVFFU-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1CCc2c(-c3cc4ccccc4[nH]3)n[nH]c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639495", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASMUMWJWBIDUDN-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1CCc2[nH]nc(-c3cc4ccccc4[nH]3)c2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSTGMSRFJJZNCR-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1CCCc2c(n[nH]c2-c2cc3ccccc3[nH]2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639144", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFVDVWPSTNZSNW-UHFFFAOYSA-N", "SMILES:CC1c2c(-c3cc4ccccc4[nH]3)n[nH]c2CN1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTOLTFZVHYNBSP-UHFFFAOYSA-N", "SMILES:CC1(C)c2c(-c3cc4ccccc4[nH]3)n[nH]c2CN1C(=O)NC1CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AXZRSCXHMAAGJE-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccccc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647345", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKPIBDDFVACHQS-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2c(-c3cc4ccccc4[nH]3)n[nH]c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646504", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBTHQRJTBMCNAO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccccc4s3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647282", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYRLTYOOLQRXGO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccccc4o3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647360", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFXPLQRZKQFWRP-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3nc4ccccc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641817", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APTPGSKMLFOZPT-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N1Cc2[nH]nc(-c3cc4ccccc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5642502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRQRPQYGKOHAFU-UHFFFAOYSA-N", "SMILES:O=C(NC1CCCCC1)N1Cc2[nH]nc(-c3cc4ccccc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKFLRNSLEMOKMA-UHFFFAOYSA-N", "SMILES:O=C(Nc1ccccc1)N1Cc2[nH]nc(-c3cc4ccccc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639612", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABTSVSRFNHQHRU-UHFFFAOYSA-N", "SMILES:O=C(NCc1ccccc1)N1Cc2[nH]nc(-c3cc4ccccc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641784", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRHXYAQDTMFSCK-UHFFFAOYSA-N", "SMILES:O=C(C1CC1)N1Cc2[nH]nc(-c3cc4ccccc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646889", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NKIUFKRRLHVXNJ-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4c(F)cccc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639780", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISGSZTYATKSAIF-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4cc(F)ccc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647624", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YZHSCRJGVNPXBH-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccc(F)cc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639396", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRCQFFZUXUVNGM-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4cccc(F)c4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646709", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBVSHHUAWKWVRL-UHFFFAOYSA-N", "SMILES:Cc1ccc2cc(-c3n[nH]c4c3C3(CCC3)N(C(=O)NC3CC3)C4)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646941", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPCKVVFFBVSDQE-UHFFFAOYSA-N", "SMILES:COc1ccc2cc(-c3n[nH]c4c3C3(CCC3)N(C(=O)NC3CC3)C4)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LLAWYVWENAOOFO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccc(Cl)cc4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZVBPPXGSPBELIA-UHFFFAOYSA-N", "SMILES:N#Cc1ccc2cc(-c3n[nH]c4c3C3(CCC3)N(C(=O)NC3CC3)C4)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646720", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHTDOLRZHNFOTA-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2cc(-c3n[nH]c4c3C3(CCC3)N(C(=O)NC3CC3)C4)[nH]c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTDADIAANXKICU-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccc(Cl)c(F)c4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646581", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CBDGGNMMRZARMP-UHFFFAOYSA-N", "SMILES:CS(=O)(=O)c1ccc2cc(-c3n[nH]c4c3C3(CCC3)N(C(=O)NC3CC3)C4)[nH]c2c1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMENWXYDPVDWLB-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccc(Cl)c(F)c4[nH]3)c2C12CCCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWPTXDYQVIBUDO-UHFFFAOYSA-N", "SMILES:O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccc(Cl)c(F)c4[nH]3)c2C12COC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641764", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJPNXYZVHYVNEV-UHFFFAOYSA-N", "SMILES:O=C(NC1COC1)N1Cc2[nH]nc(-c3cc4ccc(Cl)c(F)c4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646459", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFWURORZKMVBOL-UHFFFAOYSA-N", "SMILES:COCCNC(=O)N1Cc2[nH]nc(-c3cc4ccc(Cl)c(F)c4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641566", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTXMUNFCOXESBE-UHFFFAOYSA-N", "SMILES:O=C(NC1CNC1)N1Cc2[nH]nc(-c3cc4ccc(Cl)c(F)c4[nH]3)c2C12CCC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647150", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNQVLMKZVXBKIK-UHFFFAOYSA-N", "SMILES:C=Cc1ccnc(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639556", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSDPFZFSIYLYSF-UHFFFAOYSA-N", "SMILES:C=Cc1cccc(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647295", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFMJJIKPPAMPMX-UHFFFAOYSA-N", "SMILES:C=Cc1cc(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647479", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCVDEHMGBUAFRX-HWKANZROSA-N", "SMILES:C/C=C/c1cc(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647083", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DOTSXRPORHEWTJ-UHFFFAOYSA-N", "SMILES:C=C(C)c1cc(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QNIAIWPDMCWIIB-UHFFFAOYSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1Oc1ccnc(C=C(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641648", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YCDPWDQAWPACOP-SNAWJCMRSA-N", "SMILES:COC/C=C/c1cc(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJYDEMQQAXNGAM-ONEGZZNKSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1Oc1ccnc(/C=C/CN2CCOCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646965", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XALBFMNZSNKUKP-AATRIKPKSA-N", "SMILES:COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1Oc1ccnc(/C=C/CN(C)C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3422154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LXADAVBNVFYEBW-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccccc2n1Cc1ccncc1"]}
{"name": "Potassium channel subfamily K member 13", "xref": ["CHEMBL.TARGET:CHEMBL5724648"], "id": "UniProtKB:Q8R1P5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIPOCOZOGLBFBP-UHFFFAOYSA-N", "SMILES:Cc1nonc1-c1nc2ccccc2n1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647133", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIODVXJWCLAZQE-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)nc(-c1ncc[nH]1)n2Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SDOGHXCYILULIR-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)nc(-c1ccn[nH]1)n2Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647313", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MFPRVOIABBMJHP-UHFFFAOYSA-N", "SMILES:c1ccc2c(c1)nc(-c1cocn1)n2Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJMADHUDKHTZQS-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2c(F)cccc2n1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646481", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZWUWEGOXUUWAAD-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2cc(F)ccc2n1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646788", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JQQMSMLEKGTVOR-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccc(F)cc2n1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641517", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GASCHPCDRCEGBK-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2cccc(F)c2n1Cc1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639774", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCRDUGNMHJJCCY-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2cccc(F)c2n1Cc1cnccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641684", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEFVIGRQWXWJKV-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2cccc(F)c2n1Cc1cncnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641707", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABJMSYIDRSZDTF-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2cccc(F)c2n1Cc1ccncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKXKYWBZHBYUJS-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2cccc(F)c2n1Cc1ccnnc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONRXHVJHFORDDI-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2cccc(F)c2n1Cc1cccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639178", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QGNWGIDBZZYOHK-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2cccc(F)c2n1Cc1ccc(C(F)(F)F)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVTLETRYRVKLCU-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2c(-c3nonc3N)nc3cccc(F)c32)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SEUBVELKWLDWJG-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2c(F)ccc(F)c2n1Cc1cccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XDSVWXPETZFULN-UHFFFAOYSA-N", "SMILES:Nc1nonc1-c1nc2ccc(F)c(F)c2n1Cc1cccnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBSKCFZRWRRVTB-AWEZNQCLSA-N", "SMILES:O=c1[nH]c(=S)n(Cc2ccccc2[C@@H]2CCCCN2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KYGXVUSKKVTHSX-GXTWGEPZSA-N", "SMILES:O=c1[nH]c(=S)n(Cc2ccccc2[C@H]2C[C@@H](C(F)(F)F)CCN2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGYMFBQYPBEHHA-ZDUSSCGKSA-N", "SMILES:O=c1[nH]c(=S)n(Cc2ccccc2[C@@H]2CC(F)(F)CCN2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CICXDRDEAUEBBC-YPMHNXCESA-N", "SMILES:O=c1[nH]c(=S)n(Cc2ccccc2[C@@H]2C[C@H](C(F)(F)F)CCN2)c2nc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CICXDRDEAUEBBC-DGCLKSJQSA-N", "SMILES:O=c1[nH]c(=S)n(Cc2ccccc2[C@H]2C[C@H](C(F)(F)F)CCN2)c2nc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639106", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GUABFGKQFZNTFS-RISCZKNCSA-N", "SMILES:O=c1[nH]c(=S)n(Cc2ccccc2[C@@H]2C[C@H](C(F)F)CCN2)c2cc[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641527", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOVTTZAEXODNAJ-UHFFFAOYSA-N", "SMILES:NCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646512", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CUHWQLJZIUHUNR-UHFFFAOYSA-N", "SMILES:NCCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639359", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BZVUJSRJVFWURP-UHFFFAOYSA-N", "SMILES:OCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639650", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOLRUTXIGDDBAW-INIZCTEOSA-N", "SMILES:c1cnc2c(NC[C@H]3CCNC3)nc(-c3ccc(N4CCOCC4)cc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639321", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCMVLFWIBUQNAX-KRWDZBQOSA-N", "SMILES:c1cnc2c(NC[C@H]3CCCNC3)nc(-c3ccc(N4CCOCC4)cc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639533", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LCMVLFWIBUQNAX-QGZVFWFLSA-N", "SMILES:c1cnc2c(NC[C@@H]3CCCNC3)nc(-c3ccc(N4CCOCC4)cc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647633", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNXJVCZBTFVYFU-INIZCTEOSA-N", "SMILES:NC[C@@H]1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639485", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AJFFAVWNHHUGCX-KRWDZBQOSA-N", "SMILES:CNC[C@@H]1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZJHWIFJXZQBDAJ-UHFFFAOYSA-N", "SMILES:FC1(F)CNCC(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHVKZJNMFJXSSJ-KRWDZBQOSA-N", "SMILES:FC1(F)CCNC[C@H]1CNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639346", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SKKMQBFXQOVVIQ-VTBWFHPJSA-N", "SMILES:OC1CNC[C@H](CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639618", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJCJFGMPMNBXRW-SFHVURJKSA-N", "SMILES:c1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(N4CCOCC4)cc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639775", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOJOCUCRLQRWDR-INIZCTEOSA-N", "SMILES:Fc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647317", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEJOYWXISYDXMO-INIZCTEOSA-N", "SMILES:Clc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639659", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RCXLHSLQXPURIJ-SFHVURJKSA-N", "SMILES:N#Cc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GIJURJWFWCGLHN-UHFFFAOYSA-N", "SMILES:c1cnc2c(NCC3CNCCS3)nc(-c3ccc(N4CCOCC4)cc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IAYPLGWFERQVRI-SFHVURJKSA-N", "SMILES:O=S1(=O)CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647165", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLRLDQUEHSMQQG-IBGZPJMESA-N", "SMILES:OC1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSSIMBOFXQKHMK-FQEVSTJZSA-N", "SMILES:CC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639139", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJALGJWVBDCWDU-SFHVURJKSA-N", "SMILES:CC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFSGWODALIPICT-IBGZPJMESA-N", "SMILES:CS(=O)(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647636", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:URWLZYRKQMJGBE-KRWDZBQOSA-N", "SMILES:CS(=O)(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639679", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZIYWLJVQWAPEO-IBGZPJMESA-N", "SMILES:c1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(C4CCOCC4)cc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647595", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CPQXTCRENIMNFB-IBGZPJMESA-N", "SMILES:CC(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJIAKNWTIVDSDA-FQEVSTJZSA-N", "SMILES:CS(=O)(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639470", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCEDTTMLXHLGED-SFHVURJKSA-N", "SMILES:CS(=O)(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BFGVSFKREQDLAL-UHFFFAOYSA-N", "SMILES:c1cnc2c(NC3CCNCC3)nc(-c3ccc(N4CCOCC4)cc3)cc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647211", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JNRAZSOUTJXRDN-QGZVFWFLSA-N", "SMILES:NC(=O)N1CCC[C@H](CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DEJVKXMHQGZZST-UHFFFAOYSA-N", "SMILES:O=S1(=O)CCNCC1CNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646519", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIERYKZFNQYVOC-UHFFFAOYSA-N", "SMILES:NC1CCCC(Nc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANOBFYGZABHATD-UHFFFAOYSA-N", "SMILES:COc1cc(F)c2c(=O)cc(-c3ccc(OCC(C)C)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFEMIXVVIAUKHX-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(=O)c3c(OC)cc(F)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646540", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ALZMIJNBGPMEDI-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2oc(-c3ccc(OC(C)C)cc3)cc(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYAHLFVWCNVBKB-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2oc(-c3ccc(CC(C)C)cc3)cc(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUTPKXLQELENBC-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(-c2cc(=O)c3c(OC)cc(F)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647322", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YJLAVQVNYZFWQU-UHFFFAOYSA-N", "SMILES:COc1cc(F)cc2oc(-c3ccc(OCC(C)C)cc3)cc(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FSSLNJMGXXSDHE-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGPZLJHCLLSCMU-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647577", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PYFZHHMTPVIFFK-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639688", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SGOLQDXKLCWLNB-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646700", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFXKVDHDRBBQFA-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JTAQYZXMANAHGT-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647270", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAXCEIKFCADAFH-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2c(=O)cc(-c3ccc(OC(C)C)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NBGXPWAMTHPRIT-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2c(=O)cc(-c3ccc(CC(C)C)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647192", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IJXIIQZPBQBCOM-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc(=O)c3c(Cl)cc(OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647105", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JXNGLLPHCUQTTE-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)c2c(=O)cc(-c3ccc(OCC(C)C)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JKIBHTZPHJFGAV-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(=O)c3c(OC)cc(Cl)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GECIWUKHPQBCKY-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc2oc(-c3ccc(OC(C)C)cc3)cc(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646671", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VIPHGBMLYXFIIB-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc2oc(-c3ccc(CC(C)C)cc3)cc(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWNUNODFGFPRHI-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHFPPYNQEIFAFC-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646711", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FGKFYVTYKUWTFS-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(=O)c3c(F)cc(OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUSNJYNKHSMFEG-UHFFFAOYSA-N", "SMILES:COc1cc(F)c2c(=O)cc(-c3ccc(OC(C)C)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQKLAGWGZMUOSN-UHFFFAOYSA-N", "SMILES:COc1cc(F)c2c(=O)cc(-c3ccc(CC(C)C)cc3)oc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646639", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBLHZMRZCUNMJI-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc(=O)c3c(F)cc(OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646439", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVKAVZFCBGIGMO-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(-c2cc(=O)c3c(F)cc(OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOFBOSXYRYKOBP-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc(=O)c3c(OC)cc(F)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YTCMVYCDTAKWCC-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(=O)c3c(Cl)cc(OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPODAKQNHYDOBS-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(-c2cc(=O)c3c(Cl)cc(OC)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639274", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NWEOPIWHGDPJQY-UHFFFAOYSA-N", "SMILES:C#CCOc1ccc(-c2cc(=O)c3c(OC)cc(Cl)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639289", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCGGWKGGQIPXHA-UHFFFAOYSA-N", "SMILES:C=CCOc1ccc(-c2cc(=O)c3c(OC)cc(Cl)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639776", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZSIOFOMRQGKTST-UHFFFAOYSA-N", "SMILES:COc1cc(Cl)cc2oc(-c3ccc(OCC(C)C)cc3)cc(=O)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647096", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SQSFLOCQUBGZQO-UHFFFAOYSA-N", "SMILES:CCCOc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639166", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGKWZYSQOARQHV-UHFFFAOYSA-N", "SMILES:CC(C)Oc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639356", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJPTXDSDPNWVIX-UHFFFAOYSA-N", "SMILES:CC(C)Cc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641666", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIVCNFDFHAULDR-UHFFFAOYSA-N", "SMILES:CC(C)COc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8663", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MEZLKOACVSPNER-UHFFFAOYSA-N", "SMILES:C#CCN(C)C(C)Cc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3763271", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZTAZJDYGSXAMS-WUFINQPMSA-N", "SMILES:COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(C(=O)O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647342", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BNRPBVVUBLRPMJ-URLMMPGGSA-N", "SMILES:O=C1[C@@H]2CC=CC[C@@H]2C(c2cccc(OCCCCOc3ccc(-c4nn[nH]n4)cc3)c2)=NN1C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647573", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATGOHUNNEVBYOA-XZOQPEGZSA-N", "SMILES:CN1N=C(c2cccc(OCCCCOc3ccc(-c4nn[nH]n4)cc3)c2)[C@H]2CC=CC[C@H]2C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZUKOEFMOZHNPF-URLMMPGGSA-N", "SMILES:O=C1[C@@H]2CC=CC[C@@H]2C(c2cccc(OCCCCOc3ccc(-c4nn[nH]n4)cc3)c2)=NN1Cc1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647301", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEKHUSPBCUGINX-RRPNLBNLSA-N", "SMILES:O=C1[C@@H]2CC=CC[C@@H]2C(c2cccc(OCCCCOc3ccc(-c4nn[nH]n4)cc3)c2)=NN1Cc1ccc(F)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639657", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOOGKAPINCTBBR-WUFINQPMSA-N", "SMILES:O=C1[C@@H]2CC=CC[C@@H]2C(c2cccc(OCCCOc3ccc(-c4nn[nH]n4)cc3)c2)=NN1C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639617", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IIXXNCMPBJGUMQ-XZWHSSHBSA-N", "SMILES:O=C1[C@@H]2CC=CC[C@@H]2C(c2cccc(OCCCCCOc3ccc(-c4nn[nH]n4)cc3)c2)=NN1C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGPIPXIWDQRBE-HTRAZSPESA-N", "SMILES:O=C1[C@@H]2CC=CC[C@@H]2C(c2cccc(OC/C=C\\COc3ccc(-c4nn[nH]n4)cc3)c2)=NN1C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGGPIPXIWDQRBE-NZMSKWGQSA-N", "SMILES:O=C1[C@@H]2CC=CC[C@@H]2C(c2cccc(OC/C=C/COc3ccc(-c4nn[nH]n4)cc3)c2)=NN1C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639675", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXXAISATKXMNIS-IZZNHLLZSA-N", "SMILES:O=C(COc1cccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)c1)Nc1ccc(-c2nn[nH]n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCSMFPADSUSFKX-UHFFFAOYSA-N", "SMILES:O=c1c2ccccc2c(-c2cccc(OCCCCOc3ccc(-c4nn[nH]n4)cc3)c2)nn1C1CCCCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL379849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVYQYSNRUIFIF-KAVGSWPWSA-N", "SMILES:O=C1/C(=C/c2ccccc2F)CNC/C1=C\\c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1254460", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RVBVBUPGVORCBH-KAVGSWPWSA-N", "SMILES:O=C1/C(=C/c2ccccc2Cl)CNC/C1=C\\c1ccccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647444", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MSJQVDOQEDVIAO-KBWMUOTDSA-N", "SMILES:O=C(CN1C/C(=C\\c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646789", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GGTCWUBEHWIYDJ-OAQYLSRUSA-N", "SMILES:CN1CC(F)(F)[C@@](O)(c2cc(-c3cccc(-c4ccnc(Nc5cnn(C)c5)n4)n3)no2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WHDNQCDKSNLICT-OAQYLSRUSA-N", "SMILES:Cc1nocc1Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UKBMWBXYBPJIRD-HXUWFJFHSA-N", "SMILES:CN1CC[C@@](O)(c2cn(-c3cccc(-c4ccnc(Nc5ccn(C)n5)n4)n3)nn2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647472", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PVAYUDWSTXYVOO-HXUWFJFHSA-N", "SMILES:CN1CC[C@@](O)(c2nnc(-c3cccc(-c4ccnc(Nc5cnn(C)c5Cl)n4)n3)s2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGYSAOKFONRWME-XMMPIXPASA-N", "SMILES:CN1CC[C@@](O)(c2cc(-c3cccc(-c4ccnc(Nc5cnn(C)c5C5CC5)n4)n3)no2)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639209", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKJJCKFBRNDCGM-OAQYLSRUSA-N", "SMILES:Cc1nscc1Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639730", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FHUTXCFJNBODIJ-ZDUSSCGKSA-N", "SMILES:O=c1[nH]cc(-c2cc(N3C[C@H](Oc4cc5c(cn4)cnn5CC(F)(F)F)C(F)(F)C3)nc(C(F)F)n2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WXYMZIQYDGHAOR-AWEZNQCLSA-N", "SMILES:O=c1[nH]cc(-c2cc(N3C[C@H](Oc4cc5c(cn4)cnn5CC(F)(F)F)C(F)(F)C3)ncn2)c(=O)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZOQGPLBZMRYIGA-KRWDZBQOSA-N", "SMILES:N#Cc1cc(N2C[C@H](Oc3cc4c(cn3)cnn4CC(F)(F)F)C(F)(F)C2)cc(-c2c[nH]c(=O)[nH]c2=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639212", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHSFUZQISRONCQ-AWEZNQCLSA-N", "SMILES:N#Cc1nc(-c2c[nH]c(=O)[nH]c2=O)cc(N2C[C@H](Oc3cc4c(cn3)cnn4CC(F)(F)F)C(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639457", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTYGEYZDOSBQFP-HNNXBMFYSA-N", "SMILES:Cc1nc(-c2c[nH]c(=O)[nH]c2=O)cc(N2C[C@H](Oc3cc4c(cn3)cnn4CC(F)F)C(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5640030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGLCFOMQYNJLIQ-HNNXBMFYSA-N", "SMILES:Cc1nc(-c2c[nH]c(=O)[nH]c2=O)cc(N2C[C@H](Oc3cc4c(cn3)cnn4CC(F)(F)F)C(F)(F)C2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNVNIGSCDTXDQL-OAHLLOKOSA-N", "SMILES:CC(C)Oc1cc2nc(C[C@H]3CCOC3)cn2cc1C(=O)Nc1cccn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646687", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHUFQIMZZMCRNC-CQSZACIVSA-N", "SMILES:CC(C)Oc1nc2nc(C[C@H]3CCOC3)cn2cc1C(=O)Nc1cccn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646886", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKKGJPKWCMWLIH-OAHLLOKOSA-N", "SMILES:CC(C)Oc1cc2nn(C[C@H]3CCOC3)cc2cc1C(=O)Nc1cccn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TZBRVRRANQBAMV-CQSZACIVSA-N", "SMILES:CC(C)Oc1nc2nn(C[C@H]3CCOC3)cc2cc1C(=O)Nc1cccn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FLLDBLHGRXDXBL-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5641831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKSRGCRNFJTPEQ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZKSMKZLSDKNPMN-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647179", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOEDICIOCVPWDD-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C2CCC2)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646690", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVRXBZPFUPOGSJ-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C(C)C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646877", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNKKYAYBMKEEEF-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C(C)(C)C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646502", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRZTDGAFIEXSG-ZWJDZSOHSA-N", "SMILES:CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@@H]2C[C@H]2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRZTDGAFIEXSG-GMWXZOCLSA-N", "SMILES:CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639259", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRZTDGAFIEXSG-BKNRCBBVSA-N", "SMILES:CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646604", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WWRZTDGAFIEXSG-FDQWALFWSA-N", "SMILES:CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2C)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZABOXBJPGNGN-NRVKYCAMSA-N", "SMILES:CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639415", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YRZABOXBJPGNGN-NISCGVPASA-N", "SMILES:CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@@H]2C[C@@H]2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647518", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZGYYNBOVNKZSEB-MULNXWOJSA-N", "SMILES:CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639725", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RXPGRMIBEGWBFL-UHFFFAOYSA-N", "SMILES:O=C(O)c1cccc(C(=O)Nc2n[nH]c3ncc(-c4ccc(F)cc4)cc23)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4079394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QEZSOPXFZRHFRF-UHFFFAOYSA-N", "SMILES:CN1C(=O)CCc2cc(NC(=O)c3n[nH]c4ccccc34)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639372", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SICGKCFHMAJVAR-QDHJIIIISA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CCN)S(=O)(=O)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5646981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQNXNNFPDWJQRM-JOJPGPFDSA-N", "SMILES:CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CCN)S(C)(=O)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOWFBVXOIYHNNV-QWZCBFGJSA-N", "SMILES:CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(=O)N[C@@H](C)CN(CC(=O)N[C@@H](CCC(N)=O)C(N)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CCN)S(=O)(=O)CC(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXVKWNUDKOXNAG-UHFFFAOYSA-N", "SMILES:COc1cc(-c2nc(-c3ccc(-c4nc(-c5nnc(-c6ccncc6)o5)c[nH]4)cc3)no2)cc(OC)c1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5647136", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGRPLKPCOYBEHM-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2nc(-c3ccc(-c4nc(-c5nnc(-c6ccncc6)o5)c[nH]4)cc3)no2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5639130", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LAORWOWJOOSWME-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(-c3ccc(-c4nc(-c5nnc(-c6ccncc6)o5)c[nH]4)cc3)no2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649158", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PXYZRNAKLZWNCF-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(=O)c3ccccc3o2)ccc1[N+](=O)[O-]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1084269", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NJARPUHZDSAXPL-UHFFFAOYSA-N", "SMILES:Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(COc3cccnc3)n[nH]2)cc1"]}
{"name": "Protein-tyrosine kinase 2-beta", "xref": ["CHEMBL.TARGET:CHEMBL1075289"], "id": "UniProtKB:Q9QVP9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303470", "category": ["biolink:ChemicalEntity"], "name": "GSK-923295A", "xref": ["InChIKey:WHMXDBPHBVLYRC-OFVILXPXSA-N", "SMILES:CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl"], "synonym": ["Gsk-923295a", "Gsk923295", "GSK-295", "GSK-923295", "GSK-923295A", "GSK923295"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303308", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LJIFOCRGDDQFJF-UHFFFAOYSA-N", "SMILES:O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4786329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LQPGVGSKBNXQDU-UHFFFAOYSA-N", "SMILES:CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4757879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHKBTAOKHPQHKT-UHFFFAOYSA-N", "SMILES:CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649159", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZAWIDCUNRSFLTI-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccc(N)cc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649157", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBQSGVUVJAZACV-UHFFFAOYSA-N", "SMILES:Cc1nc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccc(N)cc54)CC3)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649161", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OEOGNHHFVJPDRG-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccc(N)cc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649160", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTZVOIADAWWXBT-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc(CC(C)C)c(=O)[nH]c5-c5ccccc5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649163", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYNKBAFMOVTYRH-UHFFFAOYSA-N", "SMILES:CC(C)Cc1nc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccc(N)cc54)CC3)cc2)[nH]c1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649162", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CNDUFZZEFPZYCZ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5[nH]c(=O)c(CC(C)C)nc5-c5ccccc5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649164", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZBSGZUAZBAPAGU-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc(Cc6ccc(O)cc6)c(=O)[nH]c5-c5ccccc5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SRAYQUUCUNTLFF-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc(Cc6ccc(O)cc6)c(=O)[nH]c5-c5ccccc5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODFJPVMGPACUDU-UHFFFAOYSA-N", "SMILES:Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5[nH]c(=O)c(Cc6ccc(O)cc6)nc5-c5ccccc5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5649156", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BJINZMVRKXXYRP-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5[nH]c(=O)c(Cc6ccc(O)cc6)nc5-c5ccccc5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZYTZRHHBAJPKN-UHFFFAOYSA-N", "SMILES:COc1cc(OC)cc(-c2noc(N3CCN(C)C4(CCN(c5ccnc(C)c5)CC4)C3)n2)c1"]}
{"name": "Histone-lysine N-methyltransferase PRDM7", "xref": ["CHEMBL.TARGET:CHEMBL5214861"], "id": "UniProtKB:Q9NQW5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3808844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISPBCAXOSOLFME-UHFFFAOYSA-N", "SMILES:CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5653590", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMPRHICRGYUFAI-UHFFFAOYSA-N", "SMILES:Clc1cc2nccc(NC3CCCC3)c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4521971", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ABGOSOMRWSYAOB-UHFFFAOYSA-N", "SMILES:Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5653592", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGGSLWXNDXYNJL-UHFFFAOYSA-N", "SMILES:O=C(c1nnc(NC2CCCC2)c2cc(Cl)c(Cl)cc12)N1CCC(O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4159813", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JHUDBMMZTGBDJG-UHFFFAOYSA-N", "SMILES:CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5653591", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGTNEKCXLFBLTR-UHFFFAOYSA-N", "SMILES:NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)SC(=C3CCCCC3)C2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4788713", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYMUHOTVPABKKH-STFFIMJZSA-N", "SMILES:C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)C(C)(C)N)ccc32)C1=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL445599", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QDKLRKZQSOQWJQ-AKAMJVKKSA-N", "SMILES:C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O"], "chembl_natural_product": true}
{"name": "Proto-oncogene Wnt-1", "xref": ["CHEMBL.TARGET:CHEMBL1255129"], "id": "UniProtKB:P04628", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Solute carrier family 45 member 3", "xref": ["CHEMBL.TARGET:CHEMBL6067581"], "id": "UniProtKB:Q96JT2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCCPLJOKGAACRT-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5653589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKSRKSEWLRPBL-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12"]}
{"name": "Aladin", "xref": ["CHEMBL.TARGET:CHEMBL5724744"], "id": "UniProtKB:Q9NRG9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alanine--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL3574"], "id": "UniProtKB:P49588", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Iron-sulfur clusters transporter ABCB7, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067020"], "id": "UniProtKB:O75027", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-binding cassette sub-family D member 3", "xref": ["CHEMBL.TARGET:CHEMBL6066926"], "id": "UniProtKB:P28288", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-binding cassette sub-family E member 1", "xref": ["CHEMBL.TARGET:CHEMBL6067318"], "id": "UniProtKB:P61221", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-binding cassette sub-family F member 1", "xref": ["CHEMBL.TARGET:CHEMBL5724742"], "id": "UniProtKB:Q8NE71", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Putative protein-lysine deacylase ABHD14B", "xref": ["CHEMBL.TARGET:CHEMBL6066303"], "id": "UniProtKB:Q96IU4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "3-ketoacyl-CoA thiolase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066310"], "id": "UniProtKB:P42765", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Very long-chain specific acyl-CoA dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4105892"], "id": "UniProtKB:P49748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Golgi resident protein GCP60", "xref": ["CHEMBL.TARGET:CHEMBL6067245"], "id": "UniProtKB:Q9H3P7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Apoptotic chromatin condensation inducer in the nucleus", "xref": ["CHEMBL.TARGET:CHEMBL5724741"], "id": "UniProtKB:Q9UKV3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytosolic acyl coenzyme A thioester hydrolase", "xref": ["CHEMBL.TARGET:CHEMBL6066532"], "id": "UniProtKB:O00154", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Long-chain-fatty-acid--CoA ligase 4", "xref": ["CHEMBL.TARGET:CHEMBL4680022"], "id": "UniProtKB:O60488", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-like protein 6A", "xref": ["CHEMBL.TARGET:CHEMBL5724740"], "id": "UniProtKB:O96019", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-actinin-1", "xref": ["CHEMBL.TARGET:CHEMBL6066960"], "id": "UniProtKB:P12814", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-actinin-4", "xref": ["CHEMBL.TARGET:CHEMBL5724737"], "id": "UniProtKB:O43707", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylosuccinate lyase", "xref": ["CHEMBL.TARGET:CHEMBL6066328"], "id": "UniProtKB:P30566", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylosuccinate synthetase isozyme 2", "xref": ["CHEMBL.TARGET:CHEMBL4875"], "id": "UniProtKB:P30520", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AF4/FMR2 family member 1", "xref": ["CHEMBL.TARGET:CHEMBL5724736"], "id": "UniProtKB:P51825", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AF4/FMR2 family member 4", "xref": ["CHEMBL.TARGET:CHEMBL5724734"], "id": "UniProtKB:Q9UHB7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "1-acyl-sn-glycerol-3-phosphate acyltransferase epsilon", "xref": ["CHEMBL.TARGET:CHEMBL6066417"], "id": "UniProtKB:Q9NUQ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ferroptosis suppressor protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067200"], "id": "UniProtKB:Q9BRQ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylate kinase isoenzyme 1", "xref": ["CHEMBL.TARGET:CHEMBL4925"], "id": "UniProtKB:P00568", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "A-kinase anchor protein 8-like", "xref": ["CHEMBL.TARGET:CHEMBL6066358"], "id": "UniProtKB:Q9ULX6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aflatoxin B1 aldehyde reductase member 2", "xref": ["CHEMBL.TARGET:CHEMBL6067037"], "id": "UniProtKB:O43488", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-aminoadipic semialdehyde dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL6066883"], "id": "UniProtKB:P49419", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chitobiosyldiphosphodolichol beta-mannosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL6067414"], "id": "UniProtKB:Q9BT22", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL6066258"], "id": "UniProtKB:Q92685", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dolichyl pyrophosphate Glc1Man9GlcNAc2 alpha-1,3-glucosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL6067106"], "id": "UniProtKB:Q9BVK2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Anaphase-promoting complex subunit 7", "xref": ["CHEMBL.TARGET:CHEMBL6066347"], "id": "UniProtKB:Q9UJX3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ankyrin repeat domain-containing protein 54", "xref": ["CHEMBL.TARGET:CHEMBL6067434"], "id": "UniProtKB:Q6NXT1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Annexin A1", "xref": ["CHEMBL.TARGET:CHEMBL5724756"], "id": "UniProtKB:P04083", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Annexin A11", "xref": ["CHEMBL.TARGET:CHEMBL6066274"], "id": "UniProtKB:P50995", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Annexin A3", "xref": ["CHEMBL.TARGET:CHEMBL6066962"], "id": "UniProtKB:P12429", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Annexin A4", "xref": ["CHEMBL.TARGET:CHEMBL6066970"], "id": "UniProtKB:P09525", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Annexin A5", "xref": ["CHEMBL.TARGET:CHEMBL6066971"], "id": "UniProtKB:P08758", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Annexin A6", "xref": ["CHEMBL.TARGET:CHEMBL6066974"], "id": "UniProtKB:P08133", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Annexin A7", "xref": ["CHEMBL.TARGET:CHEMBL6066944"], "id": "UniProtKB:P20073", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-1 complex subunit gamma-1", "xref": ["CHEMBL.TARGET:CHEMBL6067033"], "id": "UniProtKB:O43747", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-1 complex subunit mu-1", "xref": ["CHEMBL.TARGET:CHEMBL5724751"], "id": "UniProtKB:Q9BXS5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-2 complex subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL6066994"], "id": "UniProtKB:O94973", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-2 complex subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL6067269"], "id": "UniProtKB:P63010", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-2 complex subunit mu", "xref": ["CHEMBL.TARGET:CHEMBL6067156"], "id": "UniProtKB:Q96CW1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-2 complex subunit sigma", "xref": ["CHEMBL.TARGET:CHEMBL6066485"], "id": "UniProtKB:P53680", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-3 complex subunit beta-1", "xref": ["CHEMBL.TARGET:CHEMBL5724792"], "id": "UniProtKB:O00203", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-3 complex subunit delta-1", "xref": ["CHEMBL.TARGET:CHEMBL6067055"], "id": "UniProtKB:O14617", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-3 complex subunit mu-1", "xref": ["CHEMBL.TARGET:CHEMBL6067319"], "id": "UniProtKB:Q9Y2T2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-3 complex subunit sigma-1", "xref": ["CHEMBL.TARGET:CHEMBL6066428"], "id": "UniProtKB:Q92572", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Apoptosis inhibitor 5", "xref": ["CHEMBL.TARGET:CHEMBL6067417"], "id": "UniProtKB:Q9BZZ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adipocyte plasma membrane-associated protein", "xref": ["CHEMBL.TARGET:CHEMBL6067357"], "id": "UniProtKB:Q9HDC9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA dC->dU-editing enzyme APOBEC-3C", "xref": ["CHEMBL.TARGET:CHEMBL5724743"], "id": "UniProtKB:Q9NRW3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenine phosphoribosyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4105819"], "id": "UniProtKB:P07741", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coatomer subunit delta", "xref": ["CHEMBL.TARGET:CHEMBL6066887"], "id": "UniProtKB:P48444", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ADP-ribosylation factor 4", "xref": ["CHEMBL.TARGET:CHEMBL6066949"], "id": "UniProtKB:P18085", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Brefeldin A-inhibited guanine nucleotide-exchange protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067179"], "id": "UniProtKB:Q9Y6D6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rho GDP-dissociation inhibitor 1", "xref": ["CHEMBL.TARGET:CHEMBL3638327"], "id": "UniProtKB:P52565", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rho GDP-dissociation inhibitor 2", "xref": ["CHEMBL.TARGET:CHEMBL6066872"], "id": "UniProtKB:P52566", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rho guanine nucleotide exchange factor 2", "xref": ["CHEMBL.TARGET:CHEMBL5725018"], "id": "UniProtKB:Q92974", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AT-rich interactive domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5725016"], "id": "UniProtKB:Q68CP9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ADP-ribosylation factor-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725022"], "id": "UniProtKB:P40616", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-related protein 2/3 complex subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL6067049"], "id": "UniProtKB:O15145", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-related protein 2/3 complex subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL5724754"], "id": "UniProtKB:P59998", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-related protein 2/3 complex subunit 5-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6066486"], "id": "UniProtKB:Q9BPX5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATPase GET3", "xref": ["CHEMBL.TARGET:CHEMBL6066311"], "id": "UniProtKB:O43681", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Asparagine synthetase [glutamine-hydrolyzing]", "xref": ["CHEMBL.TARGET:CHEMBL3120"], "id": "UniProtKB:P08243", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Argininosuccinate synthase", "xref": ["CHEMBL.TARGET:CHEMBL6066297"], "id": "UniProtKB:P00966", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATPase family AAA domain-containing protein 3A", "xref": ["CHEMBL.TARGET:CHEMBL6067382"], "id": "UniProtKB:Q9NVI7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATPase family AAA domain-containing protein 3B", "xref": ["CHEMBL.TARGET:CHEMBL6067438"], "id": "UniProtKB:Q5T9A4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Autophagy-related protein 13", "xref": ["CHEMBL.TARGET:CHEMBL6067019"], "id": "UniProtKB:O75143", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Atlastin-3", "xref": ["CHEMBL.TARGET:CHEMBL6067070"], "id": "UniProtKB:Q6DD88", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium-transporting ATPase type 2C member 1", "xref": ["CHEMBL.TARGET:CHEMBL6066452"], "id": "UniProtKB:P98194", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase F(1) complex subunit delta, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066247"], "id": "UniProtKB:P30049", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase peripheral stalk subunit b, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066938"], "id": "UniProtKB:P24539", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase peripheral stalk subunit d, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066999"], "id": "UniProtKB:O75947", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase F(0) complex subunit e, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067089"], "id": "UniProtKB:P56385", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase F(0) complex subunit f, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067082"], "id": "UniProtKB:P56134", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase F(0) complex subunit g, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066998"], "id": "UniProtKB:O75964", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase peripheral stalk subunit OSCP, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066292"], "id": "UniProtKB:P48047", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "V-type proton ATPase subunit E 1", "xref": ["CHEMBL.TARGET:CHEMBL6066911"], "id": "UniProtKB:P36543", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "V-type proton ATPase subunit G 1", "xref": ["CHEMBL.TARGET:CHEMBL6067014"], "id": "UniProtKB:O75348", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "V-type proton ATPase subunit H", "xref": ["CHEMBL.TARGET:CHEMBL6067086"], "id": "UniProtKB:Q9UI12", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ataxin-10", "xref": ["CHEMBL.TARGET:CHEMBL5725023"], "id": "UniProtKB:Q9UBB4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ataxin-2", "xref": ["CHEMBL.TARGET:CHEMBL1795085"], "id": "UniProtKB:Q99700", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ataxin-2-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6067081"], "id": "UniProtKB:Q8WWM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lipid droplet-regulating VLDL assembly factor AUP1", "xref": ["CHEMBL.TARGET:CHEMBL6067077"], "id": "UniProtKB:Q9Y679", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5-azacytidine-induced protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4523456"], "id": "UniProtKB:Q9H6S1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Elongation factor 1-beta", "xref": ["CHEMBL.TARGET:CHEMBL4295731"], "id": "UniProtKB:P24534", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large proline-rich protein BAG6", "xref": ["CHEMBL.TARGET:CHEMBL6066898"], "id": "UniProtKB:P46379", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pre-mRNA-splicing factor SPF27", "xref": ["CHEMBL.TARGET:CHEMBL6067001"], "id": "UniProtKB:O75934", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BRCA2 and CDKN1A-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL6067087"], "id": "UniProtKB:Q9P287", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bcl-2-like protein 13", "xref": ["CHEMBL.TARGET:CHEMBL6067078"], "id": "UniProtKB:Q9BXK5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bcl-2-associated transcription factor 1", "xref": ["CHEMBL.TARGET:CHEMBL5724748"], "id": "UniProtKB:Q9NYF8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BolA-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5724752"], "id": "UniProtKB:Q9H3K6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "3'(2'),5'-bisphosphate nucleotidase 1", "xref": ["CHEMBL.TARGET:CHEMBL6066986"], "id": "UniProtKB:O95861", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BRI3-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL6067074"], "id": "UniProtKB:Q8WY22", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosome biogenesis protein BRX1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066494"], "id": "UniProtKB:Q8TDN6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BRO1 domain-containing protein BROX", "xref": ["CHEMBL.TARGET:CHEMBL6066473"], "id": "UniProtKB:Q5VW32", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bone marrow stromal antigen 2", "xref": ["CHEMBL.TARGET:CHEMBL6067079"], "id": "UniProtKB:Q10589", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor BTF3", "xref": ["CHEMBL.TARGET:CHEMBL6066943"], "id": "UniProtKB:P20290", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitotic checkpoint protein BUB3", "xref": ["CHEMBL.TARGET:CHEMBL5724769"], "id": "UniProtKB:O43684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bystin", "xref": ["CHEMBL.TARGET:CHEMBL6067430"], "id": "UniProtKB:Q13895", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "eIF5-mimic protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5724746"], "id": "UniProtKB:Q7L1Q6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "eIF5-mimic protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066321"], "id": "UniProtKB:Q9Y6E2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ergosterol biosynthetic protein 28 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067342"], "id": "UniProtKB:Q9UKR5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Uncharacterized protein C18orf63", "xref": ["CHEMBL.TARGET:CHEMBL6067191"], "id": "UniProtKB:Q68DL7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GEL complex subunit OPTI", "xref": ["CHEMBL.TARGET:CHEMBL6066366"], "id": "UniProtKB:Q9BUV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cilia- and flagella-associated protein 410", "xref": ["CHEMBL.TARGET:CHEMBL6067028"], "id": "UniProtKB:O43822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "C2 domain-containing protein 5", "xref": ["CHEMBL.TARGET:CHEMBL6067261"], "id": "UniProtKB:Q86YS7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein cholesin", "xref": ["CHEMBL.TARGET:CHEMBL6066340"], "id": "UniProtKB:Q9BRJ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Putative methyltransferase C9orf114", "synonym": ["28S rRNA (uridine-N(3))-methyltransferase"], "xref": ["CHEMBL.TARGET:CHEMBL6066478"], "id": "UniProtKB:Q5T280", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CDK5 and ABL1 enzyme substrate 1", "xref": ["CHEMBL.TARGET:CHEMBL6067090"], "id": "UniProtKB:Q8TDN4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calreticulin", "xref": ["CHEMBL.TARGET:CHEMBL6066425"], "id": "UniProtKB:P27797", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calumenin", "xref": ["CHEMBL.TARGET:CHEMBL6067027"], "id": "UniProtKB:O43852", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cullin-associated NEDD8-dissociated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067277"], "id": "UniProtKB:Q86VP6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calnexin", "xref": ["CHEMBL.TARGET:CHEMBL2719"], "id": "UniProtKB:P27824", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenylyl cyclase-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067136"], "id": "UniProtKB:Q01518", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Macrophage-capping protein", "xref": ["CHEMBL.TARGET:CHEMBL6066906"], "id": "UniProtKB:P40121", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "F-actin-capping protein subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL6066889"], "id": "UniProtKB:P47755", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium-regulated heat-stable protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067431"], "id": "UniProtKB:Q9Y2V2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carbonyl reductase [NADPH] 3", "xref": ["CHEMBL.TARGET:CHEMBL6008"], "id": "UniProtKB:O75828", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromobox protein homolog 3", "xref": ["CHEMBL.TARGET:CHEMBL3826866"], "id": "UniProtKB:Q13185", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cell cycle and apoptosis regulator protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5483141"], "id": "UniProtKB:Q8N163", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kynurenine--oxoglutarate transaminase 3", "xref": ["CHEMBL.TARGET:CHEMBL2046260"], "id": "UniProtKB:Q6YP21", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coiled-coil domain-containing protein 22", "xref": ["CHEMBL.TARGET:CHEMBL6066516"], "id": "UniProtKB:O60826", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PAT complex subunit CCDC47", "xref": ["CHEMBL.TARGET:CHEMBL6067137"], "id": "UniProtKB:Q96A33", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Telomere repeats-binding bouquet formation protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066367"], "id": "UniProtKB:Q8NA31", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-I", "xref": ["CHEMBL.TARGET:CHEMBL6067138"], "id": "UniProtKB:Q14094", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T-complex protein 1 subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL5725073"], "id": "UniProtKB:P78371", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T-complex protein 1 subunit gamma", "xref": ["CHEMBL.TARGET:CHEMBL6066171"], "id": "UniProtKB:P49368", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T-complex protein 1 subunit delta", "xref": ["CHEMBL.TARGET:CHEMBL5725077"], "id": "UniProtKB:P50991", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T-complex protein 1 subunit zeta", "xref": ["CHEMBL.TARGET:CHEMBL6066279"], "id": "UniProtKB:P40227", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T-complex protein 1 subunit eta", "xref": ["CHEMBL.TARGET:CHEMBL5725076"], "id": "UniProtKB:Q99832", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CD2 antigen cytoplasmic tail-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066341"], "id": "UniProtKB:O95400", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA-directed RNA polymerase I subunit RPA34", "xref": ["CHEMBL.TARGET:CHEMBL6067043"], "id": "UniProtKB:O15446", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Macrosialin", "xref": ["CHEMBL.TARGET:CHEMBL6066517"], "id": "UniProtKB:P34810", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adhesion G protein-coupled receptor E5", "xref": ["CHEMBL.TARGET:CHEMBL4523865"], "id": "UniProtKB:P48960", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cell division cycle protein 16 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066343"], "id": "UniProtKB:Q13042", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cell division cycle protein 23 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067364"], "id": "UniProtKB:Q9UJX2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cell division cycle 5-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6067407"], "id": "UniProtKB:Q99459", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CDP-diacylglycerol--inositol 3-phosphatidyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL6067053"], "id": "UniProtKB:O14735", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cerebellar degeneration-related protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066280"], "id": "UniProtKB:Q01850", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidate cytidylyltransferase 2", "xref": ["CHEMBL.TARGET:CHEMBL6066264"], "id": "UniProtKB:O95674", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein CDV3 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067284"], "id": "UniProtKB:Q9UKY7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Haloacid dehalogenase-like hydrolase domain-containing 5", "xref": ["CHEMBL.TARGET:CHEMBL6066395"], "id": "UniProtKB:Q9BXW7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CUGBP Elav-like family member 2", "xref": ["CHEMBL.TARGET:CHEMBL6066989"], "id": "UniProtKB:O95319", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Centrosomal protein of 170 kDa", "xref": ["CHEMBL.TARGET:CHEMBL6067343"], "id": "UniProtKB:Q5SW79", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Choline/ethanolaminephosphotransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL4105740"], "id": "UniProtKB:Q9Y6K0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromodomain-helicase-DNA-binding protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6067283"], "id": "UniProtKB:Q12873", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromodomain-helicase-DNA-binding protein 4", "xref": ["CHEMBL.TARGET:CHEMBL4105742"], "id": "UniProtKB:Q14839", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Charged multivesicular body protein 4b", "xref": ["CHEMBL.TARGET:CHEMBL6066344"], "id": "UniProtKB:Q9H444", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcineurin B homologous protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067141"], "id": "UniProtKB:Q99653", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Creatine kinase U-type, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066961"], "id": "UniProtKB:P12532", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-dependent kinases regulatory subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6066381"], "id": "UniProtKB:P33552", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CLIP-associating protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724765"], "id": "UniProtKB:Q7Z460", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chloride intracellular channel protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067062"], "id": "UniProtKB:O00299", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chloride intracellular channel protein 4", "xref": ["CHEMBL.TARGET:CHEMBL6067411"], "id": "UniProtKB:Q9Y696", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Clathrin interactor 1", "xref": ["CHEMBL.TARGET:CHEMBL6066453"], "id": "UniProtKB:Q14677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ceroid-lipofuscinosis neuronal protein 6", "xref": ["CHEMBL.TARGET:CHEMBL6066382"], "id": "UniProtKB:Q9NWW5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Methylosome subunit pICln", "xref": ["CHEMBL.TARGET:CHEMBL6066867"], "id": "UniProtKB:P54105", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Putative lipid scramblase CLPTM1", "xref": ["CHEMBL.TARGET:CHEMBL6066984"], "id": "UniProtKB:O96005", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Claspin", "xref": ["CHEMBL.TARGET:CHEMBL6067307"], "id": "UniProtKB:Q9HAW4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Clathrin light chain B", "xref": ["CHEMBL.TARGET:CHEMBL5291549"], "id": "UniProtKB:P09497", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Carboxymethylenebutenolidase homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066502"], "id": "UniProtKB:Q96DG6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CCHC-type zinc finger nucleic acid binding protein", "xref": ["CHEMBL.TARGET:CHEMBL6067296"], "id": "UniProtKB:P62633", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytosolic non-specific dipeptidase", "xref": ["CHEMBL.TARGET:CHEMBL6066266"], "id": "UniProtKB:Q96KP4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "2',3'-cyclic-nucleotide 3'-phosphodiesterase", "xref": ["CHEMBL.TARGET:CHEMBL6066309"], "id": "UniProtKB:P09543", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein canopy homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL6067216"], "id": "UniProtKB:Q9Y2B0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein canopy homolog 3", "xref": ["CHEMBL.TARGET:CHEMBL6067402"], "id": "UniProtKB:Q9BT09", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Contactin-1", "xref": ["CHEMBL.TARGET:CHEMBL6067142"], "id": "UniProtKB:Q12860", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bifunctional coenzyme A synthase", "xref": ["CHEMBL.TARGET:CHEMBL4105867"], "id": "UniProtKB:Q13057", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Conserved oligomeric Golgi complex subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL6067280"], "id": "UniProtKB:Q9UP83", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Collagen alpha-1(XIV) chain", "xref": ["CHEMBL.TARGET:CHEMBL6066281"], "id": "UniProtKB:Q05707", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Procollagen galactosyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL6067420"], "id": "UniProtKB:Q8NBJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coatomer subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL6066870"], "id": "UniProtKB:P53621", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coatomer subunit beta'", "xref": ["CHEMBL.TARGET:CHEMBL6066912"], "id": "UniProtKB:P35606", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coatomer subunit epsilon", "xref": ["CHEMBL.TARGET:CHEMBL6067056"], "id": "UniProtKB:O14579", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coatomer subunit gamma-1", "xref": ["CHEMBL.TARGET:CHEMBL5724764"], "id": "UniProtKB:Q9Y678", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coatomer subunit gamma-2", "xref": ["CHEMBL.TARGET:CHEMBL6067321"], "id": "UniProtKB:Q9UBF2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "COP9 signalosome complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6067242"], "id": "UniProtKB:P61201", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "COP9 signalosome complex subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL6066248"], "id": "UniProtKB:Q9UNS2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "COP9 signalosome complex subunit 6", "xref": ["CHEMBL.TARGET:CHEMBL6067091"], "id": "UniProtKB:Q7L5N1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coronin-1C", "xref": ["CHEMBL.TARGET:CHEMBL6067092"], "id": "UniProtKB:Q9ULV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heme A synthase COX15", "xref": ["CHEMBL.TARGET:CHEMBL6067143"], "id": "UniProtKB:Q7KZN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c oxidase subunit 4 isoform 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066293"], "id": "UniProtKB:P13073", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c oxidase subunit 5A, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066457"], "id": "UniProtKB:P20674", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c oxidase subunit 5B, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066966"], "id": "UniProtKB:P10606", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c oxidase subunit 6A1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066963"], "id": "UniProtKB:P12074", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c oxidase subunit 6B1", "xref": ["CHEMBL.TARGET:CHEMBL6066383"], "id": "UniProtKB:P14854", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c oxidase subunit 6C", "xref": ["CHEMBL.TARGET:CHEMBL6066369"], "id": "UniProtKB:P09669", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cleavage and polyadenylation specificity factor subunit 6", "xref": ["CHEMBL.TARGET:CHEMBL6067065"], "id": "UniProtKB:Q16630", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cleavage and polyadenylation specificity factor subunit 7", "xref": ["CHEMBL.TARGET:CHEMBL5724758"], "id": "UniProtKB:Q8N684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit M", "xref": ["CHEMBL.TARGET:CHEMBL5725006"], "id": "UniProtKB:Q7L2H7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit L", "xref": ["CHEMBL.TARGET:CHEMBL5725121"], "id": "UniProtKB:Q9Y262", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit K", "xref": ["CHEMBL.TARGET:CHEMBL6066307"], "id": "UniProtKB:Q9UBQ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit J", "xref": ["CHEMBL.TARGET:CHEMBL6067002"], "id": "UniProtKB:O75822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit H", "xref": ["CHEMBL.TARGET:CHEMBL6067045"], "id": "UniProtKB:O15372", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit G", "xref": ["CHEMBL.TARGET:CHEMBL6067003"], "id": "UniProtKB:O75821", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit E", "xref": ["CHEMBL.TARGET:CHEMBL5725122"], "id": "UniProtKB:P60228", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit D", "xref": ["CHEMBL.TARGET:CHEMBL6066324"], "id": "UniProtKB:O15371", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit A", "xref": ["CHEMBL.TARGET:CHEMBL5725010"], "id": "UniProtKB:Q14152", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit B", "xref": ["CHEMBL.TARGET:CHEMBL6066518"], "id": "UniProtKB:P55884", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exportin-2", "xref": ["CHEMBL.TARGET:CHEMBL5725048"], "id": "UniProtKB:P55060", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cystatin-B", "xref": ["CHEMBL.TARGET:CHEMBL6066979"], "id": "UniProtKB:P04080", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Beta-catenin-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067346"], "id": "UniProtKB:Q8WYA6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Catenin delta-1", "xref": ["CHEMBL.TARGET:CHEMBL6066403"], "id": "UniProtKB:O60716", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA polymerase-associated protein CTR9 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5724759"], "id": "UniProtKB:Q6PD62", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein CutA", "xref": ["CHEMBL.TARGET:CHEMBL6067022"], "id": "UniProtKB:O60888", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Spliceosome-associated protein CWC15 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066384"], "id": "UniProtKB:Q9P013", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome b-245 light chain", "xref": ["CHEMBL.TARGET:CHEMBL1613744"], "id": "UniProtKB:P13498", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c1, heme protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4105975"], "id": "UniProtKB:P08574", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytoplasmic FMR1-interacting protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724762"], "id": "UniProtKB:Q7L576", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit DAD1", "xref": ["CHEMBL.TARGET:CHEMBL6067390"], "id": "UniProtKB:P61803", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Triokinase/FMN cyclase", "xref": ["CHEMBL.TARGET:CHEMBL6067305"], "id": "UniProtKB:Q3LXA3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aspartate--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL6066385"], "id": "UniProtKB:P14868", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DAZ-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066404"], "id": "UniProtKB:Q96EP5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acyl-CoA-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL6066397"], "id": "UniProtKB:P07108", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Drebrin", "xref": ["CHEMBL.TARGET:CHEMBL6067064"], "id": "UniProtKB:Q16643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Drebrin-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6067399"], "id": "UniProtKB:Q9UJU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DDB1- and CUL4-associated factor 7", "xref": ["CHEMBL.TARGET:CHEMBL6067213"], "id": "UniProtKB:P61962", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Deoxycytidylate deaminase", "xref": ["CHEMBL.TARGET:CHEMBL5675"], "id": "UniProtKB:P32321", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dynactin subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL6067281"], "id": "UniProtKB:Q14203", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dynactin subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL6067000"], "id": "UniProtKB:O75935", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuronal migration protein doublecortin", "xref": ["CHEMBL.TARGET:CHEMBL6067034"], "id": "UniProtKB:O43602", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "L-xylulose reductase", "xref": ["CHEMBL.TARGET:CHEMBL2314"], "id": "UniProtKB:Q7Z4W1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDa subunit", "xref": ["CHEMBL.TARGET:CHEMBL4239"], "id": "UniProtKB:P39656", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DDRGK domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067221"], "id": "UniProtKB:Q96HY6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent RNA helicase DDX18", "xref": ["CHEMBL.TARGET:CHEMBL5060"], "id": "UniProtKB:Q9NVP1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable ATP-dependent RNA helicase DDX20", "xref": ["CHEMBL.TARGET:CHEMBL6067394"], "id": "UniProtKB:Q9UHI6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent RNA helicase DDX42", "xref": ["CHEMBL.TARGET:CHEMBL4105782"], "id": "UniProtKB:Q86XP3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Spliceosome RNA helicase DDX39B", "xref": ["CHEMBL.TARGET:CHEMBL6066325"], "id": "UniProtKB:Q13838", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleolar RNA helicase 2", "xref": ["CHEMBL.TARGET:CHEMBL4296016"], "id": "UniProtKB:Q9NR30", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent RNA helicase DDX24", "xref": ["CHEMBL.TARGET:CHEMBL6066481"], "id": "UniProtKB:Q9GZR7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing], mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067063"], "id": "UniProtKB:Q16698", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peroxisomal 2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing]", "xref": ["CHEMBL.TARGET:CHEMBL6066268"], "id": "UniProtKB:Q9NUI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Density-regulated protein", "xref": ["CHEMBL.TARGET:CHEMBL5724775"], "id": "UniProtKB:O43583", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Derlin-1", "xref": ["CHEMBL.TARGET:CHEMBL6067266"], "id": "UniProtKB:Q9BUN8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent RNA helicase A", "xref": ["CHEMBL.TARGET:CHEMBL6067223"], "id": "UniProtKB:Q08211", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dimethyladenosine transferase", "xref": ["CHEMBL.TARGET:CHEMBL6067249"], "id": "UniProtKB:Q9UNQ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exosome complex exonuclease RRP44", "xref": ["CHEMBL.TARGET:CHEMBL6067309"], "id": "UniProtKB:Q9Y2L1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "H/ACA ribonucleoprotein complex subunit DKC1", "xref": ["CHEMBL.TARGET:CHEMBL5724912"], "id": "UniProtKB:O60832", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dihydrolipoyl dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066969"], "id": "UniProtKB:P09622", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066909"], "id": "UniProtKB:P36957", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dynein axonemal heavy chain 12", "xref": ["CHEMBL.TARGET:CHEMBL6066282"], "id": "UniProtKB:Q6ZR08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DnaJ homolog subfamily A member 3, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067268"], "id": "UniProtKB:Q96EY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DnaJ homolog subfamily B member 11", "xref": ["CHEMBL.TARGET:CHEMBL6067236"], "id": "UniProtKB:Q9UBS4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DnaJ homolog subfamily B member 12", "xref": ["CHEMBL.TARGET:CHEMBL6066345"], "id": "UniProtKB:Q9NXW2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DnaJ homolog subfamily C member 10", "xref": ["CHEMBL.TARGET:CHEMBL5725117"], "id": "UniProtKB:Q8IXB1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DnaJ homolog subfamily C member 5", "xref": ["CHEMBL.TARGET:CHEMBL6067410"], "id": "UniProtKB:Q9H3Z4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dynamin-1-like protein", "xref": ["CHEMBL.TARGET:CHEMBL4523118"], "id": "UniProtKB:O00429", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5-hydroxymethyl-dUMP N-hydrolase", "xref": ["CHEMBL.TARGET:CHEMBL3351218"], "id": "UniProtKB:O43598", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dedicator of cytokinesis protein 11", "xref": ["CHEMBL.TARGET:CHEMBL6067263"], "id": "UniProtKB:Q5JSL3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mannose-P-dolichol synthase", "synonym": ["Dolichol-phosphate mannosyltransferase subunit 1"], "xref": ["CHEMBL.TARGET:CHEMBL2572"], "id": "UniProtKB:O60762", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dihydropyrimidinase-related protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6067145"], "id": "UniProtKB:Q14195", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Destrin", "xref": ["CHEMBL.TARGET:CHEMBL5725005"], "id": "UniProtKB:P60981", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "D-aminoacyl-tRNA deacylase 1", "xref": ["CHEMBL.TARGET:CHEMBL6067312"], "id": "UniProtKB:Q8TEA8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytoplasmic dynein 1 heavy chain 1", "xref": ["CHEMBL.TARGET:CHEMBL5724913"], "id": "UniProtKB:Q14204", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytoplasmic dynein 1 light intermediate chain 1", "xref": ["CHEMBL.TARGET:CHEMBL6066283"], "id": "UniProtKB:Q9Y6G9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytoplasmic dynein 1 light intermediate chain 2", "xref": ["CHEMBL.TARGET:CHEMBL6066249"], "id": "UniProtKB:O43237", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dynein light chain 1, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL5725118"], "id": "UniProtKB:P63167", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dynein light chain 2, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL6067226"], "id": "UniProtKB:Q96FJ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable rRNA-processing protein EBP2", "xref": ["CHEMBL.TARGET:CHEMBL6066269"], "id": "UniProtKB:Q99848", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Enoyl-CoA hydratase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523211"], "id": "UniProtKB:P30084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Enoyl-CoA delta isomerase 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066903"], "id": "UniProtKB:P42126", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Early endosome antigen 1", "xref": ["CHEMBL.TARGET:CHEMBL6067333"], "id": "UniProtKB:Q15075", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Elongation factor 1-delta", "xref": ["CHEMBL.TARGET:CHEMBL4295739"], "id": "UniProtKB:P29692", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation elongation factor 1 epsilon-1", "xref": ["CHEMBL.TARGET:CHEMBL5724644"], "id": "UniProtKB:O43324", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "EF-hand domain-containing protein D2", "xref": ["CHEMBL.TARGET:CHEMBL5724911"], "id": "UniProtKB:Q96C19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "116 kDa U5 small nuclear ribonucleoprotein component", "xref": ["CHEMBL.TARGET:CHEMBL5725038"], "id": "UniProtKB:Q15029", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Etoposide-induced protein 2.4 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067054"], "id": "UniProtKB:O14681", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translation initiation factor eIF2B subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL6066508"], "id": "UniProtKB:Q14232", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translation initiation factor eIF2B subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL6067331"], "id": "UniProtKB:P49770", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translation initiation factor eIF2B subunit delta", "xref": ["CHEMBL.TARGET:CHEMBL6067328"], "id": "UniProtKB:Q9UI10", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 2 subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6066945"], "id": "UniProtKB:P20042", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 4 gamma 2", "xref": ["CHEMBL.TARGET:CHEMBL6067400"], "id": "UniProtKB:P78344", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 4H", "xref": ["CHEMBL.TARGET:CHEMBL1293274"], "id": "UniProtKB:Q15056", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Very long chain fatty acid elongase 5", "xref": ["CHEMBL.TARGET:CHEMBL5937"], "id": "UniProtKB:Q9NYP7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ER membrane protein complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6066426"], "id": "UniProtKB:Q15006", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ER membrane protein complex subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL6067207"], "id": "UniProtKB:Q9P0I2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Emerin", "xref": ["CHEMBL.TARGET:CHEMBL6066880"], "id": "UniProtKB:P50402", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Endonuclease domain-containing 1 protein", "xref": ["CHEMBL.TARGET:CHEMBL6066995"], "id": "UniProtKB:O94919", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein 4.1", "xref": ["CHEMBL.TARGET:CHEMBL6066965"], "id": "UniProtKB:P11171", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Band 4.1-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067036"], "id": "UniProtKB:O43491", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mammalian ependymin-related protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067378"], "id": "UniProtKB:Q9UM22", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ethanolaminephosphotransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL6067391"], "id": "UniProtKB:Q9C0D9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GTPase Era, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067005"], "id": "UniProtKB:O75616", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Endoplasmic reticulum-Golgi intermediate compartment protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067275"], "id": "UniProtKB:Q969X5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Enhancer of rudimentary homolog", "xref": ["CHEMBL.TARGET:CHEMBL5725195"], "id": "UniProtKB:P84090", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Erlin-1", "xref": ["CHEMBL.TARGET:CHEMBL6067009"], "id": "UniProtKB:O75477", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Endoplasmic reticulum metallopeptidase 1", "xref": ["CHEMBL.TARGET:CHEMBL6066506"], "id": "UniProtKB:Q7Z2K6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Endoplasmic reticulum resident protein 29", "xref": ["CHEMBL.TARGET:CHEMBL6066295"], "id": "UniProtKB:P30040", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Endoplasmic reticulum resident protein 44", "xref": ["CHEMBL.TARGET:CHEMBL6067096"], "id": "UniProtKB:Q9BS26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Extended synaptotagmin-2", "xref": ["CHEMBL.TARGET:CHEMBL6066250"], "id": "UniProtKB:A0FGR8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic peptide chain release factor subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL6066354"], "id": "UniProtKB:P62495", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Electron transfer flavoprotein subunit alpha, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066955"], "id": "UniProtKB:P13804", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Electron transfer flavoprotein subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL4105744"], "id": "UniProtKB:P38117", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exocyst complex component 1", "xref": ["CHEMBL.TARGET:CHEMBL6067276"], "id": "UniProtKB:Q9NV70", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exocyst complex component 3", "xref": ["CHEMBL.TARGET:CHEMBL6067025"], "id": "UniProtKB:O60645", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exocyst complex component 4", "xref": ["CHEMBL.TARGET:CHEMBL6067376"], "id": "UniProtKB:Q96A65", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exosome complex component 10", "xref": ["CHEMBL.TARGET:CHEMBL6066405"], "id": "UniProtKB:Q01780", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exosome complex component RRP41", "xref": ["CHEMBL.TARGET:CHEMBL5725126"], "id": "UniProtKB:Q9NPD3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exosome complex component RRP46", "xref": ["CHEMBL.TARGET:CHEMBL6066390"], "id": "UniProtKB:Q9NQT4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exosome complex component RRP45", "xref": ["CHEMBL.TARGET:CHEMBL5725197"], "id": "UniProtKB:Q06265", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ezrin", "xref": ["CHEMBL.TARGET:CHEMBL1932896"], "id": "UniProtKB:P15311", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acyl-CoA 6-desaturase", "xref": ["CHEMBL.TARGET:CHEMBL6097"], "id": "UniProtKB:O95864", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fumarylacetoacetase", "xref": ["CHEMBL.TARGET:CHEMBL6066391"], "id": "UniProtKB:P16930", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein Niban 2", "xref": ["CHEMBL.TARGET:CHEMBL6067097"], "id": "UniProtKB:Q96TA1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein FAM136A", "xref": ["CHEMBL.TARGET:CHEMBL6067302"], "id": "UniProtKB:Q96C01", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein FAM162A", "xref": ["CHEMBL.TARGET:CHEMBL6067146"], "id": "UniProtKB:Q96A26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein FAM222B", "xref": ["CHEMBL.TARGET:CHEMBL6066370"], "id": "UniProtKB:Q8WU58", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CYFIP-related Rac1 interactor B", "xref": ["CHEMBL.TARGET:CHEMBL6067202"], "id": "UniProtKB:Q9NUQ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein FAM83A", "xref": ["CHEMBL.TARGET:CHEMBL6067098"], "id": "UniProtKB:Q86UY5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein FAM83B", "xref": ["CHEMBL.TARGET:CHEMBL6066482"], "id": "UniProtKB:Q5T0W9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein FAM83E", "xref": ["CHEMBL.TARGET:CHEMBL6067315"], "id": "UniProtKB:Q2M2I3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fanconi anemia group I protein", "xref": ["CHEMBL.TARGET:CHEMBL6067397"], "id": "UniProtKB:Q9NVI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fatty acyl-CoA reductase 1", "xref": ["CHEMBL.TARGET:CHEMBL6066465"], "id": "UniProtKB:Q8WVX9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phenylalanine--tRNA ligase alpha subunit", "xref": ["CHEMBL.TARGET:CHEMBL5725072"], "id": "UniProtKB:Q9Y285", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phenylalanine--tRNA ligase beta subunit", "xref": ["CHEMBL.TARGET:CHEMBL4105969"], "id": "UniProtKB:Q9NSD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "FAST kinase domain-containing protein 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066386"], "id": "UniProtKB:Q53R41", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "FAST kinase domain-containing protein 5, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066371"], "id": "UniProtKB:Q7L8L6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "rRNA 2'-O-methyltransferase fibrillarin", "xref": ["CHEMBL.TARGET:CHEMBL6066942"], "id": "UniProtKB:P22087", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Flap endonuclease 1", "xref": ["CHEMBL.TARGET:CHEMBL5027"], "id": "UniProtKB:P39748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fumarate hydratase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066495"], "id": "UniProtKB:P07954", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acidic fibroblast growth factor intracellular-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL6066519"], "id": "UniProtKB:O43427", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial fission 1 protein", "xref": ["CHEMBL.TARGET:CHEMBL6066466"], "id": "UniProtKB:Q9Y3D6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peptidyl-prolyl cis-trans isomerase FKBP3", "xref": ["CHEMBL.TARGET:CHEMBL4746"], "id": "UniProtKB:Q00688", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Formin-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724681"], "id": "UniProtKB:O95466", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fructosamine-3-kinase", "xref": ["CHEMBL.TARGET:CHEMBL5724680"], "id": "UniProtKB:Q9H479", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Fascin", "xref": ["CHEMBL.TARGET:CHEMBL4523304"], "id": "UniProtKB:Q16658", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Far upstream element-binding protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6067301"], "id": "UniProtKB:Q96I24", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein FUS", "xref": ["CHEMBL.TARGET:CHEMBL5724679"], "id": "UniProtKB:P35637", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein FXR1", "xref": ["CHEMBL.TARGET:CHEMBL3879858"], "id": "UniProtKB:P51114", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras GTPase-activating protein-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067419"], "id": "UniProtKB:Q13283", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras GTPase-activating protein-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066456"], "id": "UniProtKB:Q9UN86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Galactocerebrosidase", "xref": ["CHEMBL.TARGET:CHEMBL3713095"], "id": "UniProtKB:P54803", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neuromodulin", "xref": ["CHEMBL.TARGET:CHEMBL6066951"], "id": "UniProtKB:P17677", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GTPase-activating protein and VPS9 domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067409"], "id": "UniProtKB:Q14C86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "H/ACA ribonucleoprotein complex subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL6067293"], "id": "UniProtKB:Q9NY12", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcriptional repressor p66-alpha", "xref": ["CHEMBL.TARGET:CHEMBL5725025"], "id": "UniProtKB:Q86YP4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcriptional repressor p66-beta", "xref": ["CHEMBL.TARGET:CHEMBL5725181"], "id": "UniProtKB:Q8WXI9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rab GDP dissociation inhibitor alpha", "xref": ["CHEMBL.TARGET:CHEMBL6066920"], "id": "UniProtKB:P31150", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rab GDP dissociation inhibitor beta", "xref": ["CHEMBL.TARGET:CHEMBL6066507"], "id": "UniProtKB:P50395", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gem-associated protein 5", "xref": ["CHEMBL.TARGET:CHEMBL5724688"], "id": "UniProtKB:Q8TEQ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-glutamylcyclotransferase", "xref": ["CHEMBL.TARGET:CHEMBL6067016"], "id": "UniProtKB:O75223", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GH3 domain-containing protein", "xref": ["CHEMBL.TARGET:CHEMBL6066372"], "id": "UniProtKB:Q8N2G8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Growth hormone-inducible transmembrane protein", "xref": ["CHEMBL.TARGET:CHEMBL6067418"], "id": "UniProtKB:Q9H3K2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Golgi apparatus protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067320"], "id": "UniProtKB:Q92896", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutaredoxin-3", "xref": ["CHEMBL.TARGET:CHEMBL6066467"], "id": "UniProtKB:O76003", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glia maturation factor gamma", "xref": ["CHEMBL.TARGET:CHEMBL6067026"], "id": "UniProtKB:O60234", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Guanine nucleotide-binding protein G(i) subunit alpha-2", "xref": ["CHEMBL.TARGET:CHEMBL4105887"], "id": "UniProtKB:P04899", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Guanine nucleotide-binding protein G(i) subunit alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL4221"], "id": "UniProtKB:P08754", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein RACK1", "xref": ["CHEMBL.TARGET:CHEMBL5725031"], "id": "UniProtKB:P63244", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glucosamine-6-phosphate deaminase 1", "xref": ["CHEMBL.TARGET:CHEMBL6066890"], "id": "UniProtKB:P46926", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Golgin subfamily A member 2", "xref": ["CHEMBL.TARGET:CHEMBL6067327"], "id": "UniProtKB:Q08379", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Golgin subfamily A member 3", "xref": ["CHEMBL.TARGET:CHEMBL6067099"], "id": "UniProtKB:Q08378", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Golgi integral membrane protein 4", "xref": ["CHEMBL.TARGET:CHEMBL6067059"], "id": "UniProtKB:O00461", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vesicle transport protein GOT1B", "xref": ["CHEMBL.TARGET:CHEMBL6066348"], "id": "UniProtKB:Q9Y3E0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aspartate aminotransferase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4524033"], "id": "UniProtKB:P00505", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GPI-anchor transamidase component GPAA1", "xref": ["CHEMBL.TARGET:CHEMBL6067041"], "id": "UniProtKB:O43292", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "G-patch domain and KOW motifs-containing protein", "xref": ["CHEMBL.TARGET:CHEMBL6067442"], "id": "UniProtKB:Q92917", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Integral membrane protein GPR180", "xref": ["CHEMBL.TARGET:CHEMBL6066399"], "id": "UniProtKB:Q86V85", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "COP9 signalosome complex subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL6066406"], "id": "UniProtKB:Q13098", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GSK3B-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL6067425"], "id": "UniProtKB:Q9P0R6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutathione synthetase", "xref": ["CHEMBL.TARGET:CHEMBL6066521"], "id": "UniProtKB:P48637", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription initiation factor IIE subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL6066458"], "id": "UniProtKB:P29084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "General transcription factor II-I", "xref": ["CHEMBL.TARGET:CHEMBL5724693"], "id": "UniProtKB:P78347", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "General transcription factor 3C polypeptide 2", "xref": ["CHEMBL.TARGET:CHEMBL6067205"], "id": "UniProtKB:Q8WUA4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "General transcription factor 3C polypeptide 3", "xref": ["CHEMBL.TARGET:CHEMBL6066302"], "id": "UniProtKB:Q9Y5Q9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "General transcription factor 3C polypeptide 5", "xref": ["CHEMBL.TARGET:CHEMBL6067392"], "id": "UniProtKB:Q9Y5Q8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GTP-binding protein 10", "xref": ["CHEMBL.TARGET:CHEMBL6066355"], "id": "UniProtKB:A4D1E9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GTP-binding protein 4", "xref": ["CHEMBL.TARGET:CHEMBL4105780"], "id": "UniProtKB:Q9BZE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H1.0", "xref": ["CHEMBL.TARGET:CHEMBL3707465"], "id": "UniProtKB:P07305", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H1.10", "xref": ["CHEMBL.TARGET:CHEMBL6067287"], "id": "UniProtKB:Q92522", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 3", "xref": ["CHEMBL.TARGET:CHEMBL6067427"], "id": "UniProtKB:Q9P035", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Trifunctional enzyme subunit beta, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4523245"], "id": "UniProtKB:P55084", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hemoglobin subunit gamma-1", "xref": ["CHEMBL.TARGET:CHEMBL6066459"], "id": "UniProtKB:P69891", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hemoglobin subunit gamma-2", "xref": ["CHEMBL.TARGET:CHEMBL6067217"], "id": "UniProtKB:P69892", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HBS1-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6067248"], "id": "UniProtKB:Q9Y450", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hemoglobin subunit zeta", "xref": ["CHEMBL.TARGET:CHEMBL6066981"], "id": "UniProtKB:P02008", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Holocytochrome c-type synthase", "xref": ["CHEMBL.TARGET:CHEMBL6066869"], "id": "UniProtKB:P53701", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Host cell factor 1", "xref": ["CHEMBL.TARGET:CHEMBL5724666"], "id": "UniProtKB:P51610", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hematopoietic lineage cell-specific protein", "xref": ["CHEMBL.TARGET:CHEMBL6066407"], "id": "UniProtKB:P14317", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hepatoma-derived growth factor", "xref": ["CHEMBL.TARGET:CHEMBL5724677"], "id": "UniProtKB:P51858", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HEAT repeat-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725196"], "id": "UniProtKB:Q9H583", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HEAT repeat-containing protein 6", "xref": ["CHEMBL.TARGET:CHEMBL6067147"], "id": "UniProtKB:Q6AI08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HIG1 domain family member 1A, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067148"], "id": "UniProtKB:Q9Y241", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H1.5", "xref": ["CHEMBL.TARGET:CHEMBL6066952"], "id": "UniProtKB:P16401", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H1.2", "xref": ["CHEMBL.TARGET:CHEMBL5724671"], "id": "UniProtKB:P16403", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H1.4", "xref": ["CHEMBL.TARGET:CHEMBL6066376"], "id": "UniProtKB:P10412", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hexokinase HKDC1", "xref": ["CHEMBL.TARGET:CHEMBL1741200"], "id": "UniProtKB:Q2TB90", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HLA class I histocompatibility antigen, A alpha chain", "xref": ["CHEMBL.TARGET:CHEMBL2632"], "id": "UniProtKB:P04439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HLA class I histocompatibility antigen, C alpha chain", "xref": ["CHEMBL.TARGET:CHEMBL6066967"], "id": "UniProtKB:P10321", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "High mobility group protein B3", "xref": ["CHEMBL.TARGET:CHEMBL6067046"], "id": "UniProtKB:O15347", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein A0", "xref": ["CHEMBL.TARGET:CHEMBL6066270"], "id": "UniProtKB:Q13151", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein A3", "xref": ["CHEMBL.TARGET:CHEMBL6066874"], "id": "UniProtKB:P51991", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein A/B", "xref": ["CHEMBL.TARGET:CHEMBL6067395"], "id": "UniProtKB:Q99729", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein F", "xref": ["CHEMBL.TARGET:CHEMBL4523238"], "id": "UniProtKB:P52597", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein H3", "xref": ["CHEMBL.TARGET:CHEMBL6066917"], "id": "UniProtKB:P31942", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein K", "xref": ["CHEMBL.TARGET:CHEMBL3469"], "id": "UniProtKB:P61978", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein L", "xref": ["CHEMBL.TARGET:CHEMBL5724651"], "id": "UniProtKB:P14866", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein L-like", "xref": ["CHEMBL.TARGET:CHEMBL5724650"], "id": "UniProtKB:Q8WVV9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein R", "xref": ["CHEMBL.TARGET:CHEMBL6067039"], "id": "UniProtKB:O43390", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein U-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724663"], "id": "UniProtKB:Q9BUJ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein U-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066501"], "id": "UniProtKB:Q1KMD3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hydroxysteroid dehydrogenase-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067292"], "id": "UniProtKB:Q6YN16", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heat shock 70 kDa protein 4", "xref": ["CHEMBL.TARGET:CHEMBL5169130"], "id": "UniProtKB:P34932", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated hydrogen channel 1", "xref": ["CHEMBL.TARGET:CHEMBL6067294"], "id": "UniProtKB:Q96D96", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Huntingtin-interacting protein K", "xref": ["CHEMBL.TARGET:CHEMBL6066284"], "id": "UniProtKB:Q9NX55", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Isoleucine--tRNA ligase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4105821"], "id": "UniProtKB:Q9NSE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066460"], "id": "UniProtKB:O43837", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Insulin-like growth factor 2 mRNA-binding protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6067149"], "id": "UniProtKB:O00425", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cation-independent mannose-6-phosphate receptor", "xref": ["CHEMBL.TARGET:CHEMBL3240"], "id": "UniProtKB:P11717", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein Red", "xref": ["CHEMBL.TARGET:CHEMBL2321616"], "id": "UniProtKB:Q13123", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "IkappaB kinase complex-associated protein", "synonym": ["Elongator complex protein 1"], "xref": ["CHEMBL.TARGET:CHEMBL1818"], "id": "UniProtKB:O95163", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "2-hydroxyacyl-CoA lyase 2", "xref": ["CHEMBL.TARGET:CHEMBL6066527"], "id": "UniProtKB:A1L0T0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-internexin", "xref": ["CHEMBL.TARGET:CHEMBL6066296"], "id": "UniProtKB:Q16352", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inverted formin-2", "xref": ["CHEMBL.TARGET:CHEMBL6067424"], "id": "UniProtKB:Q27J81", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin-11", "xref": ["CHEMBL.TARGET:CHEMBL6067259"], "id": "UniProtKB:Q9UI26", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin-4", "xref": ["CHEMBL.TARGET:CHEMBL5724661"], "id": "UniProtKB:Q8TEX9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin-7", "xref": ["CHEMBL.TARGET:CHEMBL6066503"], "id": "UniProtKB:O95373", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin-8", "xref": ["CHEMBL.TARGET:CHEMBL6067044"], "id": "UniProtKB:O15397", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin-9", "xref": ["CHEMBL.TARGET:CHEMBL6067150"], "id": "UniProtKB:Q96P70", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Interferon regulatory factor 2-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067201"], "id": "UniProtKB:Q7Z5L9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase Itchy homolog", "xref": ["CHEMBL.TARGET:CHEMBL4295925"], "id": "UniProtKB:Q96J02", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lamin-B1", "xref": ["CHEMBL.TARGET:CHEMBL5725026"], "id": "UniProtKB:P20700", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inosine triphosphate pyrophosphatase", "xref": ["CHEMBL.TARGET:CHEMBL4105788"], "id": "UniProtKB:Q9BY32", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Junction plakoglobin", "xref": ["CHEMBL.TARGET:CHEMBL6066271"], "id": "UniProtKB:P14923", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Katanin p60 ATPase-containing subunit A-like 2", "xref": ["CHEMBL.TARGET:CHEMBL6066251"], "id": "UniProtKB:Q8IYT4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ER lumen protein-retaining receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL6066272"], "id": "UniProtKB:P24390", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ER lumen protein-retaining receptor 2", "xref": ["CHEMBL.TARGET:CHEMBL6066915"], "id": "UniProtKB:P33947", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "KH domain-containing, RNA-binding, signal transduction-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1795190"], "id": "UniProtKB:Q07666", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 94", "xref": ["CHEMBL.TARGET:CHEMBL6067295"], "id": "UniProtKB:Q12767", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WASH complex subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL6067349"], "id": "UniProtKB:Q12768", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinetochore-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066879"], "id": "UniProtKB:P50748", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Keratin, type I cytoskeletal 18", "xref": ["CHEMBL.TARGET:CHEMBL6066464"], "id": "UniProtKB:P05783", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit KCP2", "xref": ["CHEMBL.TARGET:CHEMBL6067100"], "id": "UniProtKB:Q8N6L1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinectin", "xref": ["CHEMBL.TARGET:CHEMBL6066522"], "id": "UniProtKB:Q86UP2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "EKC/KEOPS complex subunit LAGE3", "xref": ["CHEMBL.TARGET:CHEMBL6066468"], "id": "UniProtKB:Q14657", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysosome-associated membrane glycoprotein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066964"], "id": "UniProtKB:P11279", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutathione S-transferase LANCL1", "xref": ["CHEMBL.TARGET:CHEMBL6066415"], "id": "UniProtKB:O43813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "La-related protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067151"], "id": "UniProtKB:Q6PKG0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "LIM and SH3 domain protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067303"], "id": "UniProtKB:Q14847", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Delta(14)-sterol reductase LBR", "xref": ["CHEMBL.TARGET:CHEMBL6067271"], "id": "UniProtKB:Q14739", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial proton/calcium exchanger protein", "xref": ["CHEMBL.TARGET:CHEMBL6066991"], "id": "UniProtKB:O95202", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Galectin-3-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL6067101"], "id": "UniProtKB:Q08380", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA ligase 3", "xref": ["CHEMBL.TARGET:CHEMBL4295773"], "id": "UniProtKB:P49916", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "LIM and senescent cell antigen-like-containing domain protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066888"], "id": "UniProtKB:P48059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein ERGIC-53", "xref": ["CHEMBL.TARGET:CHEMBL6066884"], "id": "UniProtKB:P49257", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vesicular integral-membrane protein VIP36", "xref": ["CHEMBL.TARGET:CHEMBL6066356"], "id": "UniProtKB:Q12907", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Endoplasmic reticulum junction formation protein lunapark", "xref": ["CHEMBL.TARGET:CHEMBL6067336"], "id": "UniProtKB:Q9C0E8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysophospholipid acyltransferase 5", "xref": ["CHEMBL.TARGET:CHEMBL6066416"], "id": "UniProtKB:Q6P1A2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leupaxin", "xref": ["CHEMBL.TARGET:CHEMBL6066504"], "id": "UniProtKB:O60711", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lipopolysaccharide-responsive and beige-like anchor protein", "xref": ["CHEMBL.TARGET:CHEMBL6066253"], "id": "UniProtKB:P50851", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leucine-rich repeat-containing protein 47", "xref": ["CHEMBL.TARGET:CHEMBL6066357"], "id": "UniProtKB:Q8N1G4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large subunit GTPase 1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067316"], "id": "UniProtKB:Q9H089", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein LSM14 homolog A", "xref": ["CHEMBL.TARGET:CHEMBL5724639"], "id": "UniProtKB:Q8ND56", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase listerin", "xref": ["CHEMBL.TARGET:CHEMBL6066997"], "id": "UniProtKB:O94822", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Putative RNA-binding protein Luc7-like 2", "xref": ["CHEMBL.TARGET:CHEMBL5724635"], "id": "UniProtKB:Q9Y383", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Microtubule-actin cross-linking factor 1, isoforms 1/2/3/4/5", "xref": ["CHEMBL.TARGET:CHEMBL6067152"], "id": "UniProtKB:Q9UPN3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit MAGT1", "xref": ["CHEMBL.TARGET:CHEMBL6067103"], "id": "UniProtKB:Q9H0U3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein MAL2", "xref": ["CHEMBL.TARGET:CHEMBL6067291"], "id": "UniProtKB:Q969L2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Microtubule-associated protein 4", "xref": ["CHEMBL.TARGET:CHEMBL5724642"], "id": "UniProtKB:P27816", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ensconsin", "xref": ["CHEMBL.TARGET:CHEMBL6067298"], "id": "UniProtKB:Q14244", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Microtubule-associated protein RP/EB family member 1", "xref": ["CHEMBL.TARGET:CHEMBL6067322"], "id": "UniProtKB:Q15691", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Microtubule-associated protein RP/EB family member 2", "xref": ["CHEMBL.TARGET:CHEMBL6066505"], "id": "UniProtKB:Q15555", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Methionine adenosyltransferase 2 subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL6067225"], "id": "UniProtKB:Q9NZL9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Matrin-3", "xref": ["CHEMBL.TARGET:CHEMBL5724643"], "id": "UniProtKB:P43243", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin subunit alpha-3", "xref": ["CHEMBL.TARGET:CHEMBL6067058"], "id": "UniProtKB:O00629", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysophospholipid acyltransferase 7", "synonym": ["Membrane-bound acylglycerophosphatidylinositol O-acyltransferase MBOAT7"], "xref": ["CHEMBL.TARGET:CHEMBL6066408"], "id": "UniProtKB:Q96N66", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067224"], "id": "UniProtKB:Q9HCC0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA replication licensing factor MCM3", "xref": ["CHEMBL.TARGET:CHEMBL4630813"], "id": "UniProtKB:P25205", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA replication licensing factor MCM5", "xref": ["CHEMBL.TARGET:CHEMBL4630815"], "id": "UniProtKB:P33992", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium uniporter protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067356"], "id": "UniProtKB:Q8NE86", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Malate dehydrogenase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL3560"], "id": "UniProtKB:P40925", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Midasin", "xref": ["CHEMBL.TARGET:CHEMBL4105779"], "id": "UniProtKB:Q9NU22", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thiol S-methyltransferase TMT1A", "xref": ["CHEMBL.TARGET:CHEMBL6067229"], "id": "UniProtKB:Q9H8H3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Major facilitator superfamily domain-containing protein 10", "xref": ["CHEMBL.TARGET:CHEMBL6067237"], "id": "UniProtKB:Q14728", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transport and Golgi organization protein 1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066483"], "id": "UniProtKB:Q5JRA6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proliferation marker protein Ki-67", "xref": ["CHEMBL.TARGET:CHEMBL6066170"], "id": "UniProtKB:P46013", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase makorin-3", "xref": ["CHEMBL.TARGET:CHEMBL6067102"], "id": "UniProtKB:Q13064", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Malectin", "xref": ["CHEMBL.TARGET:CHEMBL6067153"], "id": "UniProtKB:Q14165", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Corrinoid adenosyltransferase MMAB", "xref": ["CHEMBL.TARGET:CHEMBL6066327"], "id": "UniProtKB:Q96EY8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ER membrane protein complex subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL6067286"], "id": "UniProtKB:Q8N4V1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "MMS19 nucleotide excision repair protein homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066469"], "id": "UniProtKB:Q96T76", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Meiosis-specific nuclear structural protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067341"], "id": "UniProtKB:Q8NEH6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mannose-P-dolichol utilization defect 1 protein", "xref": ["CHEMBL.TARGET:CHEMBL6067013"], "id": "UniProtKB:O75352", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "M-phase phosphoprotein 6", "xref": ["CHEMBL.TARGET:CHEMBL6066427"], "id": "UniProtKB:Q99547", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "3-mercaptopyruvate sulfurtransferase", "xref": ["CHEMBL.TARGET:CHEMBL6066937"], "id": "UniProtKB:P25325", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "rRNA methyltransferase 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067228"], "id": "UniProtKB:Q6IN84", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein uL11m", "xref": ["CHEMBL.TARGET:CHEMBL6067214"], "id": "UniProtKB:Q9Y3B7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein mL37", "xref": ["CHEMBL.TARGET:CHEMBL6066470"], "id": "UniProtKB:Q9BZE1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein mL38", "xref": ["CHEMBL.TARGET:CHEMBL6067246"], "id": "UniProtKB:Q96DV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS17m", "xref": ["CHEMBL.TARGET:CHEMBL6067387"], "id": "UniProtKB:Q9Y2R5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein mL66", "xref": ["CHEMBL.TARGET:CHEMBL6067444"], "id": "UniProtKB:Q9NVS2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein mS22", "xref": ["CHEMBL.TARGET:CHEMBL6066461"], "id": "UniProtKB:P82650", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS3m", "xref": ["CHEMBL.TARGET:CHEMBL6067375"], "id": "UniProtKB:Q96EL2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein mS27", "xref": ["CHEMBL.TARGET:CHEMBL6066440"], "id": "UniProtKB:Q92552", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein mS35", "xref": ["CHEMBL.TARGET:CHEMBL6066392"], "id": "UniProtKB:P82673", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS9m", "xref": ["CHEMBL.TARGET:CHEMBL6067104"], "id": "UniProtKB:P82933", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "mRNA turnover protein 4 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066484"], "id": "UniProtKB:Q9UKD2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA mismatch repair protein Msh6", "xref": ["CHEMBL.TARGET:CHEMBL4739849"], "id": "UniProtKB:P52701", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Methylsterol monooxygenase 1", "xref": ["CHEMBL.TARGET:CHEMBL6067069"], "id": "UniProtKB:Q15800", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase F(0) complex subunit a", "xref": ["CHEMBL.TARGET:CHEMBL6066982"], "id": "UniProtKB:P00846", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c oxidase subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL6066983"], "id": "UniProtKB:P00414", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein LYRIC", "xref": ["CHEMBL.TARGET:CHEMBL6066346"], "id": "UniProtKB:Q86UE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "C-1-tetrahydrofolate synthase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL2541"], "id": "UniProtKB:P11586", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myotrophin", "xref": ["CHEMBL.TARGET:CHEMBL6067232"], "id": "UniProtKB:P58546", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Metaxin-1", "xref": ["CHEMBL.TARGET:CHEMBL6067154"], "id": "UniProtKB:Q13505", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Metaxin-2", "xref": ["CHEMBL.TARGET:CHEMBL6066373"], "id": "UniProtKB:O75431", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myeloid-associated differentiation marker", "xref": ["CHEMBL.TARGET:CHEMBL6067449"], "id": "UniProtKB:Q96S97", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myb-binding protein 1A", "xref": ["CHEMBL.TARGET:CHEMBL6067389"], "id": "UniProtKB:Q9BQG0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase MYCBP2", "xref": ["CHEMBL.TARGET:CHEMBL6067006"], "id": "UniProtKB:O75592", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin light polypeptide 6", "xref": ["CHEMBL.TARGET:CHEMBL6066273"], "id": "UniProtKB:P60660", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Unconventional myosin-Ib", "xref": ["CHEMBL.TARGET:CHEMBL6067031"], "id": "UniProtKB:O43795", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Unconventional myosin-If", "xref": ["CHEMBL.TARGET:CHEMBL6067061"], "id": "UniProtKB:O00160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "N-alpha-acetyltransferase 10", "xref": ["CHEMBL.TARGET:CHEMBL4630819"], "id": "UniProtKB:P41227", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "N-alpha-acetyltransferase 15, NatA auxiliary subunit", "xref": ["CHEMBL.TARGET:CHEMBL6067401"], "id": "UniProtKB:Q9BXJ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nascent polypeptide-associated complex subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL6066329"], "id": "UniProtKB:Q13765", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "N-acetylneuraminate-9-phosphate synthase", "xref": ["CHEMBL.TARGET:CHEMBL6067105"], "id": "UniProtKB:Q9NR45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleosome assembly protein 1-like 1", "xref": ["CHEMBL.TARGET:CHEMBL6067393"], "id": "UniProtKB:P55209", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleosome assembly protein 1-like 4", "xref": ["CHEMBL.TARGET:CHEMBL3886061"], "id": "UniProtKB:Q99733", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-soluble NSF attachment protein", "xref": ["CHEMBL.TARGET:CHEMBL6066865"], "id": "UniProtKB:P54920", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Asparagine--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL6067032"], "id": "UniProtKB:O43776", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear autoantigenic sperm protein", "xref": ["CHEMBL.TARGET:CHEMBL5724618"], "id": "UniProtKB:P49321", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NBAS subunit of NRZ tethering complex", "xref": ["CHEMBL.TARGET:CHEMBL6066529"], "id": "UniProtKB:A2RRP1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Condensin complex subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL6067381"], "id": "UniProtKB:Q15021", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Condensin complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6067310"], "id": "UniProtKB:Q15003", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neurochondrin", "xref": ["CHEMBL.TARGET:CHEMBL5724619"], "id": "UniProtKB:Q9UBB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nck-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067155"], "id": "UniProtKB:Q9Y2A7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nck-associated protein 1-like", "xref": ["CHEMBL.TARGET:CHEMBL5724620"], "id": "UniProtKB:P55160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BOS complex subunit NCLN", "xref": ["CHEMBL.TARGET:CHEMBL6067219"], "id": "UniProtKB:Q969V3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleoporin NDC1", "xref": ["CHEMBL.TARGET:CHEMBL6067254"], "id": "UniProtKB:Q9BTX1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neurofilament medium polypeptide", "xref": ["CHEMBL.TARGET:CHEMBL6066976"], "id": "UniProtKB:P07197", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nestin", "xref": ["CHEMBL.TARGET:CHEMBL6066462"], "id": "UniProtKB:P48681", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NF-X1-type zinc finger protein NFXL1", "xref": ["CHEMBL.TARGET:CHEMBL6067386"], "id": "UniProtKB:Q6ZNB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NHP2-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725191"], "id": "UniProtKB:P55769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein NipSnap homolog 3A", "xref": ["CHEMBL.TARGET:CHEMBL3817722"], "id": "UniProtKB:Q9UFN0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Omega-amidase NIT2", "xref": ["CHEMBL.TARGET:CHEMBL6067107"], "id": "UniProtKB:Q9NQR4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NAD(P) transhydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066471"], "id": "UniProtKB:Q13423", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleolar complex protein 2 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067289"], "id": "UniProtKB:Q9Y3T9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleolar and coiled-body phosphoprotein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724612"], "id": "UniProtKB:Q14978", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Non-POU domain-containing octamer-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL5724613"], "id": "UniProtKB:Q15233", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "H/ACA ribonucleoprotein complex subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL6066393"], "id": "UniProtKB:Q9NPE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "28S rRNA (cytosine(4447)-C(5))-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL6066899"], "id": "UniProtKB:P46087", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleolar protein 56", "xref": ["CHEMBL.TARGET:CHEMBL6066335"], "id": "UniProtKB:O00567", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nardilysin", "xref": ["CHEMBL.TARGET:CHEMBL5724615"], "id": "UniProtKB:O43847", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "NSFL1 cofactor p47", "xref": ["CHEMBL.TARGET:CHEMBL6067304"], "id": "UniProtKB:Q9UNZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleobindin-2", "xref": ["CHEMBL.TARGET:CHEMBL6067290"], "id": "UniProtKB:P80303", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear migration protein nudC", "xref": ["CHEMBL.TARGET:CHEMBL5725183"], "id": "UniProtKB:Q9Y266", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cleavage and polyadenylation specificity factor subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL5724780"], "id": "UniProtKB:O43809", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear mitotic apparatus protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725184"], "id": "UniProtKB:Q14980", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear pore complex protein Nup160", "xref": ["CHEMBL.TARGET:CHEMBL6066257"], "id": "UniProtKB:Q12769", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleoporin NUP188", "xref": ["CHEMBL.TARGET:CHEMBL6066449"], "id": "UniProtKB:Q5SRE5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear pore complex protein Nup205", "xref": ["CHEMBL.TARGET:CHEMBL5725190"], "id": "UniProtKB:Q92621", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear pore membrane glycoprotein 210", "xref": ["CHEMBL.TARGET:CHEMBL5725132"], "id": "UniProtKB:Q8TEM1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear pore complex protein Nup50", "xref": ["CHEMBL.TARGET:CHEMBL6067071"], "id": "UniProtKB:Q9UKX7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear pore complex protein Nup93", "xref": ["CHEMBL.TARGET:CHEMBL5725189"], "id": "UniProtKB:Q8N1F7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear transport factor 2", "xref": ["CHEMBL.TARGET:CHEMBL6067085"], "id": "UniProtKB:P61970", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear RNA export factor 1", "xref": ["CHEMBL.TARGET:CHEMBL6067072"], "id": "UniProtKB:Q9UBU9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "OCIA domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066320"], "id": "UniProtKB:Q56VL3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "2-oxoglutarate dehydrogenase complex component E1", "xref": ["CHEMBL.TARGET:CHEMBL2816"], "id": "UniProtKB:Q02218", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Obg-like ATPase 1", "xref": ["CHEMBL.TARGET:CHEMBL4105704"], "id": "UniProtKB:Q9NTK5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dynamin-like GTPase OPA1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4105705"], "id": "UniProtKB:O60313", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Olfactory receptor 10J3", "xref": ["CHEMBL.TARGET:CHEMBL6067080"], "id": "UniProtKB:Q5JRS4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ORM1-like protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6066515"], "id": "UniProtKB:Q8N138", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Oxysterol-binding protein-related protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6066278"], "id": "UniProtKB:Q9H4L5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Oxysterol-binding protein-related protein 8", "xref": ["CHEMBL.TARGET:CHEMBL6067075"], "id": "UniProtKB:Q9BZF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "tRNA N6-adenosine threonylcarbamoyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL6067088"], "id": "UniProtKB:Q9NPF4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Oligosaccharyltransferase complex subunit OSTC", "xref": ["CHEMBL.TARGET:CHEMBL6067083"], "id": "UniProtKB:Q9NRP0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial inner membrane protein OXA1L", "xref": ["CHEMBL.TARGET:CHEMBL6067076"], "id": "UniProtKB:Q15070", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proliferation-associated protein 2G4", "xref": ["CHEMBL.TARGET:CHEMBL6067073"], "id": "UniProtKB:Q9UQ80", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polyadenylate-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1293286"], "id": "UniProtKB:P11940", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphoprotein associated with glycosphingolipid-enriched microdomains 1", "xref": ["CHEMBL.TARGET:CHEMBL6067084"], "id": "UniProtKB:Q9NWQ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polyadenylate-binding protein-interacting protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067353"], "id": "UniProtKB:Q9H074", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1", "xref": ["CHEMBL.TARGET:CHEMBL6067042"], "id": "UniProtKB:O43252", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein PBDC1", "xref": ["CHEMBL.TARGET:CHEMBL5725172"], "id": "UniProtKB:Q9BVG4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Propionyl-CoA carboxylase alpha chain, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066389"], "id": "UniProtKB:P05165", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PCI domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5725175"], "id": "UniProtKB:Q5JVF3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein-L-isoaspartate(D-aspartate) O-methyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL4240"], "id": "UniProtKB:P22061", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PEST proteolytic signal-containing nuclear protein", "xref": ["CHEMBL.TARGET:CHEMBL6067190"], "id": "UniProtKB:Q8WW12", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "28 kDa heat- and acid-stable phosphoprotein", "xref": ["CHEMBL.TARGET:CHEMBL6067112"], "id": "UniProtKB:Q13442", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Programmed cell death protein 10", "xref": ["CHEMBL.TARGET:CHEMBL6066262"], "id": "UniProtKB:Q9BUL8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein RRP5 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067274"], "id": "UniProtKB:Q14690", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Programmed cell death protein 5", "xref": ["CHEMBL.TARGET:CHEMBL6066424"], "id": "UniProtKB:O14737", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Programmed cell death 6-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL5725177"], "id": "UniProtKB:Q8WUM4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pyruvate dehydrogenase E1 component alpha subunit somatic form", "synonym": ["Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL2092"], "id": "UniProtKB:P08559", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pyruvate dehydrogenase E1 component alpha subunit testis form", "synonym": ["Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial"], "xref": ["CHEMBL.TARGET:CHEMBL4500"], "id": "UniProtKB:P29803", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pyruvate dehydrogenase protein X component, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067060"], "id": "UniProtKB:O00330", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein disulfide-isomerase A5", "xref": ["CHEMBL.TARGET:CHEMBL6067135"], "id": "UniProtKB:Q14554", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PDZ and LIM domain protein 5", "xref": ["CHEMBL.TARGET:CHEMBL6067139"], "id": "UniProtKB:Q96HC4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sister chromatid cohesion protein PDS5 homolog A", "xref": ["CHEMBL.TARGET:CHEMBL5725176"], "id": "UniProtKB:Q29RF7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sister chromatid cohesion protein PDS5 homolog B", "xref": ["CHEMBL.TARGET:CHEMBL6067140"], "id": "UniProtKB:Q9NTI5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylethanolamine-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4105856"], "id": "UniProtKB:P30086", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prefoldin subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL6067021"], "id": "UniProtKB:O60925", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prefoldin subunit 6", "xref": ["CHEMBL.TARGET:CHEMBL6067048"], "id": "UniProtKB:O15212", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Profilin-1", "xref": ["CHEMBL.TARGET:CHEMBL6066975"], "id": "UniProtKB:P07737", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "6-phosphogluconolactonase", "xref": ["CHEMBL.TARGET:CHEMBL5724745"], "id": "UniProtKB:O95336", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphopentomutase", "xref": ["CHEMBL.TARGET:CHEMBL6067285"], "id": "UniProtKB:Q96G03", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Membrane-associated progesterone receptor component 2", "xref": ["CHEMBL.TARGET:CHEMBL6066333"], "id": "UniProtKB:O15173", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5-phosphohydroxy-L-lysine phospho-lyase", "xref": ["CHEMBL.TARGET:CHEMBL6066352"], "id": "UniProtKB:Q8IUZ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol-binding clathrin assembly protein", "xref": ["CHEMBL.TARGET:CHEMBL6067239"], "id": "UniProtKB:Q13492", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GPI-anchor transamidase", "xref": ["CHEMBL.TARGET:CHEMBL6067192"], "id": "UniProtKB:Q92643", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GPI ethanolamine phosphate transferase 3, catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL6067267"], "id": "UniProtKB:Q8TEQ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GPI-anchor transamidase component PIGS", "xref": ["CHEMBL.TARGET:CHEMBL6067379"], "id": "UniProtKB:Q96S52", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "GPI-anchor transamidase component PIGT", "xref": ["CHEMBL.TARGET:CHEMBL6067339"], "id": "UniProtKB:Q969N2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4", "xref": ["CHEMBL.TARGET:CHEMBL4923"], "id": "UniProtKB:Q9Y237", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol transfer protein beta isoform", "xref": ["CHEMBL.TARGET:CHEMBL6066263"], "id": "UniProtKB:P48739", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phospholipase A-2-activating protein", "xref": ["CHEMBL.TARGET:CHEMBL6114"], "id": "UniProtKB:Q9Y263", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Perilipin-3", "xref": ["CHEMBL.TARGET:CHEMBL4523145"], "id": "UniProtKB:O60664", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteolipid protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067398"], "id": "UniProtKB:Q04941", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial-processing peptidase subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL6067010"], "id": "UniProtKB:O75439", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein POF1B", "xref": ["CHEMBL.TARGET:CHEMBL6067405"], "id": "UniProtKB:Q8WVV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA-directed RNA polymerases I and III subunit RPAC1", "xref": ["CHEMBL.TARGET:CHEMBL5725134"], "id": "UniProtKB:O15160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA-directed RNA polymerase II subunit RPB2", "xref": ["CHEMBL.TARGET:CHEMBL6066157"], "id": "UniProtKB:P30876", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA-directed RNA polymerases I, II, and III subunit RPABC1", "xref": ["CHEMBL.TARGET:CHEMBL6066322"], "id": "UniProtKB:P19388", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA-directed RNA polymerases I, II, and III subunit RPABC3", "xref": ["CHEMBL.TARGET:CHEMBL6066400"], "id": "UniProtKB:P52434", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribonucleases P/MRP protein subunit POP1", "xref": ["CHEMBL.TARGET:CHEMBL6066401"], "id": "UniProtKB:Q99575", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "POTE ankyrin domain family member E", "xref": ["CHEMBL.TARGET:CHEMBL6066368"], "id": "UniProtKB:Q6S8J3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Inorganic pyrophosphatase", "xref": ["CHEMBL.TARGET:CHEMBL6067227"], "id": "UniProtKB:Q15181", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peptidyl-prolyl cis-trans isomerase F, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL3325306"], "id": "UniProtKB:P30405", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peptidyl-prolyl cis-trans isomerase H", "xref": ["CHEMBL.TARGET:CHEMBL6067038"], "id": "UniProtKB:O43447", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein phosphatase 1F", "xref": ["CHEMBL.TARGET:CHEMBL6066265"], "id": "UniProtKB:P49593", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase PP1-gamma catalytic subunit", "xref": ["CHEMBL.TARGET:CHEMBL4438"], "id": "UniProtKB:P36873", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein phosphatase 1 regulatory subunit 1B", "xref": ["CHEMBL.TARGET:CHEMBL6067450"], "id": "UniProtKB:Q9UD71", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein phosphatase 1 regulatory subunit 7", "xref": ["CHEMBL.TARGET:CHEMBL6066323"], "id": "UniProtKB:Q15435", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform", "xref": ["CHEMBL.TARGET:CHEMBL5724747"], "id": "UniProtKB:P30153", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 2A activator", "xref": ["CHEMBL.TARGET:CHEMBL2505"], "id": "UniProtKB:Q15257", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform", "xref": ["CHEMBL.TARGET:CHEMBL6067334"], "id": "UniProtKB:Q14738", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glucosidase II beta subunit", "synonym": ["Glucosidase 2 subunit beta"], "xref": ["CHEMBL.TARGET:CHEMBL5242"], "id": "UniProtKB:P14314", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pre-mRNA-processing factor 19", "xref": ["CHEMBL.TARGET:CHEMBL5725167"], "id": "UniProtKB:Q9UMS4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pre-mRNA-processing factor 40 homolog A", "xref": ["CHEMBL.TARGET:CHEMBL5725154"], "id": "UniProtKB:O75400", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pre-mRNA-processing factor 6", "xref": ["CHEMBL.TARGET:CHEMBL5725164"], "id": "UniProtKB:O94906", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pre-mRNA-processing-splicing factor 8", "xref": ["CHEMBL.TARGET:CHEMBL5725162"], "id": "UniProtKB:Q6P2Q9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peripherin", "xref": ["CHEMBL.TARGET:CHEMBL6066904"], "id": "UniProtKB:P41219", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein PRRC2A", "xref": ["CHEMBL.TARGET:CHEMBL6066886"], "id": "UniProtKB:P48634", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein PRRC2C", "xref": ["CHEMBL.TARGET:CHEMBL6067337"], "id": "UniProtKB:Q9Y520", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PC4 and SFRS1-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL3988590"], "id": "UniProtKB:O75475", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL6067067"], "id": "UniProtKB:Q16401", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "26S proteasome non-ATPase regulatory subunit 9", "xref": ["CHEMBL.TARGET:CHEMBL6066287"], "id": "UniProtKB:O00233", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proteasome activator complex subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL6067095"], "id": "UniProtKB:Q14997", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Paraspeckle component 1", "xref": ["CHEMBL.TARGET:CHEMBL5725161"], "id": "UniProtKB:Q8WXF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphoserine phosphatase", "xref": ["CHEMBL.TARGET:CHEMBL6066362"], "id": "UniProtKB:P78330", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proline-serine-threonine phosphatase-interacting protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067297"], "id": "UniProtKB:Q9H939", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein prenyltransferase alpha subunit repeat-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066326"], "id": "UniProtKB:Q7Z6K3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polypyrimidine tract-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1293230"], "id": "UniProtKB:P26599", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Polypyrimidine tract-binding protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6066398"], "id": "UniProtKB:O95758", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein mS39", "xref": ["CHEMBL.TARGET:CHEMBL6067351"], "id": "UniProtKB:Q96EY7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylserine synthase 2", "xref": ["CHEMBL.TARGET:CHEMBL6067347"], "id": "UniProtKB:Q9BVG9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prothymosin alpha", "xref": ["CHEMBL.TARGET:CHEMBL6066338"], "id": "UniProtKB:P06454", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Poly(U)-binding-splicing factor PUF60", "xref": ["CHEMBL.TARGET:CHEMBL5725159"], "id": "UniProtKB:Q9UHX1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pumilio homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL6067257"], "id": "UniProtKB:Q14671", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcriptional regulator protein Pur-beta", "xref": ["CHEMBL.TARGET:CHEMBL6066334"], "id": "UniProtKB:Q96QR8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peroxisomal membrane protein 4", "xref": ["CHEMBL.TARGET:CHEMBL6067435"], "id": "UniProtKB:Q9Y6I8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Apoptosis-associated speck-like protein containing a CARD", "xref": ["CHEMBL.TARGET:CHEMBL6067324"], "id": "UniProtKB:Q9ULZ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutamine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL3054"], "id": "UniProtKB:P47897", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dihydropteridine reductase", "xref": ["CHEMBL.TARGET:CHEMBL3730"], "id": "UniProtKB:P09417", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "MICOS complex subunit MIC13", "xref": ["CHEMBL.TARGET:CHEMBL6067437"], "id": "UniProtKB:Q5XKP0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Queuine tRNA-ribosyltransferase accessory subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6067252"], "id": "UniProtKB:Q9H974", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-10", "xref": ["CHEMBL.TARGET:CHEMBL4105971"], "id": "UniProtKB:P61026", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-14", "xref": ["CHEMBL.TARGET:CHEMBL6067416"], "id": "UniProtKB:P61106", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-1A", "xref": ["CHEMBL.TARGET:CHEMBL3879826"], "id": "UniProtKB:P62820", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-27A", "xref": ["CHEMBL.TARGET:CHEMBL4105702"], "id": "UniProtKB:P51159", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-35", "xref": ["CHEMBL.TARGET:CHEMBL6067195"], "id": "UniProtKB:Q15286", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-39A", "xref": ["CHEMBL.TARGET:CHEMBL6067093"], "id": "UniProtKB:Q14964", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-5B", "xref": ["CHEMBL.TARGET:CHEMBL6067250"], "id": "UniProtKB:P61020", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-5C", "xref": ["CHEMBL.TARGET:CHEMBL6066876"], "id": "UniProtKB:P51148", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-6A", "xref": ["CHEMBL.TARGET:CHEMBL4105703"], "id": "UniProtKB:P20340", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rab-8A", "xref": ["CHEMBL.TARGET:CHEMBL6067094"], "id": "UniProtKB:P61006", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rab-like protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4105853"], "id": "UniProtKB:Q5HYI8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rab-like protein 6", "xref": ["CHEMBL.TARGET:CHEMBL6067258"], "id": "UniProtKB:Q3YEC7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UV excision repair protein RAD23 homolog B", "xref": ["CHEMBL.TARGET:CHEMBL6066866"], "id": "UniProtKB:P54727", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA repair protein RAD50", "xref": ["CHEMBL.TARGET:CHEMBL5725155"], "id": "UniProtKB:Q92878", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "mRNA export factor RAE1", "xref": ["CHEMBL.TARGET:CHEMBL6066294"], "id": "UniProtKB:P78406", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Ral-A", "xref": ["CHEMBL.TARGET:CHEMBL3879855"], "id": "UniProtKB:P11233", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 SUMO-protein ligase RanBP2", "xref": ["CHEMBL.TARGET:CHEMBL6066882"], "id": "UniProtKB:P49792", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras-related protein Rap-2c", "xref": ["CHEMBL.TARGET:CHEMBL6067253"], "id": "UniProtKB:Q9Y3L5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable arginine--tRNA ligase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067361"], "id": "UniProtKB:Q5T160", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras association domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066878"], "id": "UniProtKB:P50749", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras association domain-containing protein 5", "xref": ["CHEMBL.TARGET:CHEMBL6066286"], "id": "UniProtKB:Q8WWW0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribonucleoprotein PTB-binding 1", "xref": ["CHEMBL.TARGET:CHEMBL6067144"], "id": "UniProtKB:Q8IY67", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein 12", "xref": ["CHEMBL.TARGET:CHEMBL6067423"], "id": "UniProtKB:Q9NTZ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein 14", "xref": ["CHEMBL.TARGET:CHEMBL6066402"], "id": "UniProtKB:Q96PK6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein 15", "xref": ["CHEMBL.TARGET:CHEMBL6067173"], "id": "UniProtKB:Q96T37", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein 25", "xref": ["CHEMBL.TARGET:CHEMBL5725150"], "id": "UniProtKB:P49756", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein 26", "xref": ["CHEMBL.TARGET:CHEMBL6067233"], "id": "UniProtKB:Q5T8P6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein 28", "xref": ["CHEMBL.TARGET:CHEMBL6067374"], "id": "UniProtKB:Q9NW13", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein RCC2", "xref": ["CHEMBL.TARGET:CHEMBL5725142"], "id": "UniProtKB:Q9P258", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CapZ-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL6067241"], "id": "UniProtKB:Q6JBY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Radixin", "xref": ["CHEMBL.TARGET:CHEMBL6066454"], "id": "UniProtKB:P35241", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent DNA helicase Q1", "xref": ["CHEMBL.TARGET:CHEMBL1293236"], "id": "UniProtKB:P46063", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proto-oncogene c-Rel", "xref": ["CHEMBL.TARGET:CHEMBL4296310"], "id": "UniProtKB:Q04864", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein RER1", "xref": ["CHEMBL.TARGET:CHEMBL6066396"], "id": "UniProtKB:O15258", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Replication factor C subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL5725144"], "id": "UniProtKB:P40938", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Replication factor C subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL5725145"], "id": "UniProtKB:P35249", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Man(5)GlcNAc(2)-PP-dolichol translocation protein RFT1", "xref": ["CHEMBL.TARGET:CHEMBL6067273"], "id": "UniProtKB:Q96AA3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Raftlin", "xref": ["CHEMBL.TARGET:CHEMBL6066455"], "id": "UniProtKB:Q14699", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial Rho GTPase 2", "xref": ["CHEMBL.TARGET:CHEMBL6066267"], "id": "UniProtKB:Q8IXI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Telomere-associated protein RIF1", "xref": ["CHEMBL.TARGET:CHEMBL5725140"], "id": "UniProtKB:Q5UIP0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase RNF10", "xref": ["CHEMBL.TARGET:CHEMBL6067323"], "id": "UniProtKB:Q8N5U6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase RNF213", "xref": ["CHEMBL.TARGET:CHEMBL6067308"], "id": "UniProtKB:Q63HN8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribonuclease H1", "xref": ["CHEMBL.TARGET:CHEMBL5893"], "id": "UniProtKB:O60930", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Replication protein A 14 kDa subunit", "xref": ["CHEMBL.TARGET:CHEMBL6066353"], "id": "UniProtKB:P35244", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA polymerase II-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067272"], "id": "UniProtKB:Q9BWH6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein P2", "xref": ["CHEMBL.TARGET:CHEMBL4295698"], "id": "UniProtKB:P05387", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL5725139"], "id": "UniProtKB:P04844", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal protein eS27-like", "xref": ["CHEMBL.TARGET:CHEMBL6067311"], "id": "UniProtKB:Q71UM5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosome-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067172"], "id": "UniProtKB:Q9P2E9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RRP12-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6067385"], "id": "UniProtKB:Q5JTH9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RRP15-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6067113"], "id": "UniProtKB:Q9Y3B9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal RNA processing protein 1 homolog B", "xref": ["CHEMBL.TARGET:CHEMBL6067114"], "id": "UniProtKB:Q14684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosome biogenesis regulatory protein homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067235"], "id": "UniProtKB:Q15050", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-splicing ligase RtcB homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067243"], "id": "UniProtKB:Q9Y3I0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Reticulon-3", "xref": ["CHEMBL.TARGET:CHEMBL6066992"], "id": "UniProtKB:O95197", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein S100-A11", "xref": ["CHEMBL.TARGET:CHEMBL6066254"], "id": "UniProtKB:P31949", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein S100-A6", "xref": ["CHEMBL.TARGET:CHEMBL6066977"], "id": "UniProtKB:P06703", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein S100-P", "xref": ["CHEMBL.TARGET:CHEMBL6066932"], "id": "UniProtKB:P25815", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein SAAL1", "xref": ["CHEMBL.TARGET:CHEMBL6067380"], "id": "UniProtKB:Q96ER3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol-3-phosphatase SAC1", "xref": ["CHEMBL.TARGET:CHEMBL6067218"], "id": "UniProtKB:Q9NTJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sorting and assembly machinery component 50 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066285"], "id": "UniProtKB:Q9Y512", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SAM domain-containing protein SAMSN-1", "xref": ["CHEMBL.TARGET:CHEMBL6067306"], "id": "UniProtKB:Q9NSI8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Store-operated calcium entry-associated regulatory factor", "xref": ["CHEMBL.TARGET:CHEMBL6067396"], "id": "UniProtKB:Q96BY9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SAP domain-containing ribonucleoprotein", "xref": ["CHEMBL.TARGET:CHEMBL6067115"], "id": "UniProtKB:P82979", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL4523232"], "id": "UniProtKB:P49591", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Squamous cell carcinoma antigen recognized by T-cells 3", "synonym": ["Spliceosome associated factor 3, U4/U6 recycling protein"], "xref": ["CHEMBL.TARGET:CHEMBL6066463"], "id": "UniProtKB:Q15020", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein salvador homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL6067345"], "id": "UniProtKB:Q9H4B6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosome maturation protein SBDS", "xref": ["CHEMBL.TARGET:CHEMBL6067367"], "id": "UniProtKB:Q9Y3A5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Secretory carrier-associated membrane protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066474"], "id": "UniProtKB:O15127", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Secretory carrier-associated membrane protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6066432"], "id": "UniProtKB:O14828", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Stearoyl-CoA desaturase 5", "xref": ["CHEMBL.TARGET:CHEMBL1275210"], "id": "UniProtKB:Q86SK9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sec1 family domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067340"], "id": "UniProtKB:Q8WVM8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Selenocysteine lyase", "xref": ["CHEMBL.TARGET:CHEMBL6066434"], "id": "UniProtKB:Q96I15", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein SCO2 homolog, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067029"], "id": "UniProtKB:O43819", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein SDA1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067199"], "id": "UniProtKB:Q9NVU7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal peptidase complex catalytic subunit SEC11A", "xref": ["CHEMBL.TARGET:CHEMBL5725033"], "id": "UniProtKB:P67812", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein SEC13 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067369"], "id": "UniProtKB:P55735", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein transport protein Sec23B", "xref": ["CHEMBL.TARGET:CHEMBL6066275"], "id": "UniProtKB:Q15437", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SEC23-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL6066475"], "id": "UniProtKB:Q9Y6Y8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein transport protein Sec24C", "xref": ["CHEMBL.TARGET:CHEMBL6066868"], "id": "UniProtKB:P53992", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein transport protein Sec61 subunit alpha isoform 1", "xref": ["CHEMBL.TARGET:CHEMBL5725113"], "id": "UniProtKB:P61619", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein transport protein Sec61 subunit beta", "xref": ["CHEMBL.TARGET:CHEMBL6067175"], "id": "UniProtKB:P60468", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein transport protein Sec61 subunit gamma", "xref": ["CHEMBL.TARGET:CHEMBL6067244"], "id": "UniProtKB:P60059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translocation protein SEC62", "xref": ["CHEMBL.TARGET:CHEMBL6067372"], "id": "UniProtKB:Q99442", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translocation protein SEC63 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067116"], "id": "UniProtKB:Q9UGP8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Septin-2", "xref": ["CHEMBL.TARGET:CHEMBL6066337"], "id": "UniProtKB:Q15019", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Septin-6", "xref": ["CHEMBL.TARGET:CHEMBL6067384"], "id": "UniProtKB:Q14141", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Septin-7", "xref": ["CHEMBL.TARGET:CHEMBL6067068"], "id": "UniProtKB:Q16181", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Septin-8", "xref": ["CHEMBL.TARGET:CHEMBL6067255"], "id": "UniProtKB:Q92599", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Septin-9", "xref": ["CHEMBL.TARGET:CHEMBL4105891"], "id": "UniProtKB:Q9UHD8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SERPINE1 mRNA-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066419"], "id": "UniProtKB:Q8NC51", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leukocyte elastase inhibitor", "xref": ["CHEMBL.TARGET:CHEMBL6066509"], "id": "UniProtKB:P30740", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serpin B6", "xref": ["CHEMBL.TARGET:CHEMBL6066433"], "id": "UniProtKB:P35237", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor 1", "xref": ["CHEMBL.TARGET:CHEMBL5725115"], "id": "UniProtKB:Q15637", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor 3A subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL5725108"], "id": "UniProtKB:Q15459", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor 3A subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6066159"], "id": "UniProtKB:Q15428", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor 3B subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL6067256"], "id": "UniProtKB:Q9BWJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor, proline- and glutamine-rich", "xref": ["CHEMBL.TARGET:CHEMBL5725114"], "id": "UniProtKB:P23246", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sideroflexin-1", "xref": ["CHEMBL.TARGET:CHEMBL6067362"], "id": "UniProtKB:Q9H9B4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sideroflexin-3", "xref": ["CHEMBL.TARGET:CHEMBL6067194"], "id": "UniProtKB:Q9BWM7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein Shroom3", "xref": ["CHEMBL.TARGET:CHEMBL6067279"], "id": "UniProtKB:Q8TF72", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exosome RNA helicase MTR4", "xref": ["CHEMBL.TARGET:CHEMBL4105889"], "id": "UniProtKB:P42285", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Solute carrier family 22 member 18", "synonym": ["Solute carrier family 67 member A1"], "xref": ["CHEMBL.TARGET:CHEMBL6066435"], "id": "UniProtKB:Q96BI1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial 2-oxoglutarate/malate carrier protein", "xref": ["CHEMBL.TARGET:CHEMBL6067210"], "id": "UniProtKB:Q02978", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Electrogenic aspartate/glutamate antiporter SLC25A13, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067317"], "id": "UniProtKB:Q9UJS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peroxisomal membrane protein PMP34", "xref": ["CHEMBL.TARGET:CHEMBL6067030"], "id": "UniProtKB:O43808", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Solute carrier family 25 member 3", "xref": ["CHEMBL.TARGET:CHEMBL4295795"], "id": "UniProtKB:Q00325", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenine nucleotide translocator 1", "synonym": ["ADP/ATP translocase 1"], "xref": ["CHEMBL.TARGET:CHEMBL1879"], "id": "UniProtKB:P12235", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ADP/ATP translocase 3", "xref": ["CHEMBL.TARGET:CHEMBL4105854"], "id": "UniProtKB:P12236", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proton-coupled zinc antiporter SLC30A5", "xref": ["CHEMBL.TARGET:CHEMBL6067413"], "id": "UniProtKB:Q8TAD4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc transporter 6", "xref": ["CHEMBL.TARGET:CHEMBL6067359"], "id": "UniProtKB:Q6NXT4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc transporter 7", "xref": ["CHEMBL.TARGET:CHEMBL6067240"], "id": "UniProtKB:Q8NEW0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Acetyl-coenzyme A transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL3638338"], "id": "UniProtKB:O00400", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CMP-sialic acid transporter", "xref": ["CHEMBL.TARGET:CHEMBL6067234"], "id": "UniProtKB:P78382", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenosine 3'-phospho 5'-phosphosulfate transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL6066411"], "id": "UniProtKB:Q8TB61", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Solute carrier family 35 member E1", "xref": ["CHEMBL.TARGET:CHEMBL6067429"], "id": "UniProtKB:Q96K37", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glucose-6-phosphate exchanger SLC37A4", "xref": ["CHEMBL.TARGET:CHEMBL3217398"], "id": "UniProtKB:O43826", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium-coupled neutral amino acid transporter 7", "xref": ["CHEMBL.TARGET:CHEMBL6067118"], "id": "UniProtKB:Q9NVC3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc transporter ZIP11", "xref": ["CHEMBL.TARGET:CHEMBL6067388"], "id": "UniProtKB:Q8N1S5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Metal cation symporter ZIP14", "xref": ["CHEMBL.TARGET:CHEMBL6066476"], "id": "UniProtKB:Q15043", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc transporter ZIP3", "xref": ["CHEMBL.TARGET:CHEMBL6066510"], "id": "UniProtKB:Q9BRY0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc transporter SLC39A7", "xref": ["CHEMBL.TARGET:CHEMBL5724589"], "id": "UniProtKB:Q92504", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Amino acid transporter heavy chain SLC3A2", "xref": ["CHEMBL.TARGET:CHEMBL6066973"], "id": "UniProtKB:P08195", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Equilibrative nucleobase transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL6067117"], "id": "UniProtKB:Q8NBI5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Choline transporter-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066446"], "id": "UniProtKB:Q8WWI5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sodium-dependent multivitamin transporter", "xref": ["CHEMBL.TARGET:CHEMBL6066511"], "id": "UniProtKB:Q9Y289", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "High affinity cationic amino acid transporter 1", "xref": ["CHEMBL.TARGET:CHEMBL6066921"], "id": "UniProtKB:P30825", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SRA stem-loop-interacting RNA-binding protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066420"], "id": "UniProtKB:Q9GZT3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 5", "xref": ["CHEMBL.TARGET:CHEMBL6066387"], "id": "UniProtKB:O60264", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1", "xref": ["CHEMBL.TARGET:CHEMBL5725049"], "id": "UniProtKB:Q12824", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SWI/SNF complex subunit SMARCC1", "xref": ["CHEMBL.TARGET:CHEMBL5725104"], "id": "UniProtKB:Q92922", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SWI/SNF complex subunit SMARCC2", "xref": ["CHEMBL.TARGET:CHEMBL5725099"], "id": "UniProtKB:Q8TAQ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily E member 1", "xref": ["CHEMBL.TARGET:CHEMBL5725103"], "id": "UniProtKB:Q969G3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Structural maintenance of chromosomes protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5725110"], "id": "UniProtKB:Q9UQE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Structural maintenance of chromosomes protein 4", "xref": ["CHEMBL.TARGET:CHEMBL5725092"], "id": "UniProtKB:Q9NTJ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sphingomyelin phosphodiesterase 4", "xref": ["CHEMBL.TARGET:CHEMBL6066252"], "id": "UniProtKB:Q9NXE4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Synaptosomal-associated protein 23", "xref": ["CHEMBL.TARGET:CHEMBL6066300"], "id": "UniProtKB:O00161", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Synaptosomal-associated protein 29", "xref": ["CHEMBL.TARGET:CHEMBL6066988"], "id": "UniProtKB:O95721", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Staphylococcal nuclease domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3879865"], "id": "UniProtKB:Q7KZF4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U1 small nuclear ribonucleoprotein A", "xref": ["CHEMBL.TARGET:CHEMBL5725098"], "id": "UniProtKB:P09012", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U2 small nuclear ribonucleoprotein A'", "xref": ["CHEMBL.TARGET:CHEMBL6066166"], "id": "UniProtKB:P09661", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U2 small nuclear ribonucleoprotein B''", "xref": ["CHEMBL.TARGET:CHEMBL5725125"], "id": "UniProtKB:P08579", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small nuclear ribonucleoprotein Sm D1", "xref": ["CHEMBL.TARGET:CHEMBL6066339"], "id": "UniProtKB:P62314", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small nuclear ribonucleoprotein Sm D2", "xref": ["CHEMBL.TARGET:CHEMBL5725105"], "id": "UniProtKB:P62316", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small nuclear ribonucleoprotein Sm D3", "xref": ["CHEMBL.TARGET:CHEMBL5725034"], "id": "UniProtKB:P62318", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small nuclear ribonucleoprotein E", "xref": ["CHEMBL.TARGET:CHEMBL5725028"], "id": "UniProtKB:P62304", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sorting nexin-1", "xref": ["CHEMBL.TARGET:CHEMBL6067415"], "id": "UniProtKB:Q13596", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Microtubule cross-linking factor 3", "xref": ["CHEMBL.TARGET:CHEMBL6066436"], "id": "UniProtKB:Q5TF21", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sorbin and SH3 domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067350"], "id": "UniProtKB:Q9BX66", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sorbitol dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL2275"], "id": "UniProtKB:Q00796", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sperm-associated antigen 5", "xref": ["CHEMBL.TARGET:CHEMBL6067370"], "id": "UniProtKB:Q96R06", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal peptidase complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6067262"], "id": "UniProtKB:Q15005", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal peptidase complex subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL6066491"], "id": "UniProtKB:P61009", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Spatacsin", "xref": ["CHEMBL.TARGET:CHEMBL6067204"], "id": "UniProtKB:Q96JI7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kunitz-type protease inhibitor 2", "xref": ["CHEMBL.TARGET:CHEMBL6066288"], "id": "UniProtKB:O43291", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Spectrin alpha chain, non-erythrocytic 1", "xref": ["CHEMBL.TARGET:CHEMBL5725058"], "id": "UniProtKB:Q13813", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Spectrin beta chain, non-erythrocytic 1", "xref": ["CHEMBL.TARGET:CHEMBL5725089"], "id": "UniProtKB:Q01082", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine palmitoyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL1250343"], "id": "UniProtKB:O15269", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sorcin", "xref": ["CHEMBL.TARGET:CHEMBL6066922"], "id": "UniProtKB:P30626", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal recognition particle 14 kDa protein", "xref": ["CHEMBL.TARGET:CHEMBL5725081"], "id": "UniProtKB:P37108", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal recognition particle subunit SRP68", "xref": ["CHEMBL.TARGET:CHEMBL6066313"], "id": "UniProtKB:Q9UHB9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal recognition particle subunit SRP72", "xref": ["CHEMBL.TARGET:CHEMBL6066168"], "id": "UniProtKB:O76094", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal recognition particle 9 kDa protein", "xref": ["CHEMBL.TARGET:CHEMBL5725084"], "id": "UniProtKB:P49458", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serrate RNA effector molecule homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067251"], "id": "UniProtKB:Q9BXP5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/arginine-rich splicing factor 1", "xref": ["CHEMBL.TARGET:CHEMBL4295805"], "id": "UniProtKB:Q07955", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/arginine-rich splicing factor 2", "xref": ["CHEMBL.TARGET:CHEMBL5725035"], "id": "UniProtKB:Q01130", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/arginine-rich splicing factor 3", "xref": ["CHEMBL.TARGET:CHEMBL6066169"], "id": "UniProtKB:P84103", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/arginine-rich splicing factor 7", "xref": ["CHEMBL.TARGET:CHEMBL6066160"], "id": "UniProtKB:Q16629", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SS18-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067352"], "id": "UniProtKB:Q9UHA2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Single-stranded DNA-binding protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066314"], "id": "UniProtKB:Q04837", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translocon-associated protein subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL6066162"], "id": "UniProtKB:P43307", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translocon-associated protein subunit gamma", "xref": ["CHEMBL.TARGET:CHEMBL6067174"], "id": "UniProtKB:Q9UNL2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "FACT complex subunit SSRP1", "xref": ["CHEMBL.TARGET:CHEMBL5725086"], "id": "UniProtKB:Q08945", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Double-stranded RNA-binding protein Staufen homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL6066987"], "id": "UniProtKB:O95793", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Stathmin-2", "xref": ["CHEMBL.TARGET:CHEMBL6067366"], "id": "UniProtKB:Q93045", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Stomatin", "xref": ["CHEMBL.TARGET:CHEMBL6066930"], "id": "UniProtKB:P27105", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Stomatin-like protein 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067176"], "id": "UniProtKB:Q9UJZ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine-threonine kinase receptor-associated protein", "xref": ["CHEMBL.TARGET:CHEMBL6067330"], "id": "UniProtKB:Q9Y3F4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Syntaxin-18", "xref": ["CHEMBL.TARGET:CHEMBL6067125"], "id": "UniProtKB:Q9P2W9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Syntaxin-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067178"], "id": "UniProtKB:P61764", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Activated RNA polymerase II transcriptional coactivator p15", "xref": ["CHEMBL.TARGET:CHEMBL5725063"], "id": "UniProtKB:P53999", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4105973"], "id": "UniProtKB:Q9P2R7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066499"], "id": "UniProtKB:P53597", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Succinate--CoA ligase [GDP-forming] subunit beta, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067220"], "id": "UniProtKB:Q96I99", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein SGT1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066526"], "id": "UniProtKB:Q9Y2Z0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SUN domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067177"], "id": "UniProtKB:Q9UH99", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Surfeit locus protein 4", "xref": ["CHEMBL.TARGET:CHEMBL5725083"], "id": "UniProtKB:O15260", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Symplekin", "xref": ["CHEMBL.TARGET:CHEMBL6066161"], "id": "UniProtKB:Q92797", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Synaptogyrin-2", "xref": ["CHEMBL.TARGET:CHEMBL6066492"], "id": "UniProtKB:O43760", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Synaptophysin-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067066"], "id": "UniProtKB:Q16563", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase synoviolin", "xref": ["CHEMBL.TARGET:CHEMBL6067180"], "id": "UniProtKB:Q86TM6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TATA-binding protein-associated factor 2N", "xref": ["CHEMBL.TARGET:CHEMBL6067122"], "id": "UniProtKB:Q92804", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transgelin-2", "xref": ["CHEMBL.TARGET:CHEMBL6066364"], "id": "UniProtKB:P37802", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transaldolase", "xref": ["CHEMBL.TARGET:CHEMBL6066447"], "id": "UniProtKB:P37837", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TRAF family member-associated NF-kappa-B activator", "xref": ["CHEMBL.TARGET:CHEMBL4523420"], "id": "UniProtKB:Q92844", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TBC1 domain family member 5", "xref": ["CHEMBL.TARGET:CHEMBL6067197"], "id": "UniProtKB:Q92609", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin-specific chaperone A", "xref": ["CHEMBL.TARGET:CHEMBL6066315"], "id": "UniProtKB:O75347", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin-folding cofactor B", "xref": ["CHEMBL.TARGET:CHEMBL6067314"], "id": "UniProtKB:Q99426", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin-specific chaperone D", "xref": ["CHEMBL.TARGET:CHEMBL6066500"], "id": "UniProtKB:Q9BTW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TANK-binding kinase 1-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4523108"], "id": "UniProtKB:A7MCY6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transducin beta-like protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067215"], "id": "UniProtKB:Q9Y4P3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "FAST kinase domain-containing protein 4", "xref": ["CHEMBL.TARGET:CHEMBL6067265"], "id": "UniProtKB:Q969Z0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription elongation factor A protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066940"], "id": "UniProtKB:P23193", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription elongation regulator 1", "xref": ["CHEMBL.TARGET:CHEMBL5724602"], "id": "UniProtKB:O14776", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor 12", "xref": ["CHEMBL.TARGET:CHEMBL6067123"], "id": "UniProtKB:Q99081", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Treacle protein", "xref": ["CHEMBL.TARGET:CHEMBL5725056"], "id": "UniProtKB:Q13428", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "T-complex protein 1 subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL6066167"], "id": "UniProtKB:P17987", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Very-long-chain enoyl-CoA reductase", "xref": ["CHEMBL.TARGET:CHEMBL5725074"], "id": "UniProtKB:Q9NZ01", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Telomere length regulation protein TEL2 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066377"], "id": "UniProtKB:Q9Y4R8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Telomeric repeat-binding factor 2-interacting protein 1", "xref": ["CHEMBL.TARGET:CHEMBL3751647"], "id": "UniProtKB:Q9NYB0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Testis-expressed protein 13A", "xref": ["CHEMBL.TARGET:CHEMBL6066450"], "id": "UniProtKB:Q9BXU3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription factor A, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067181"], "id": "UniProtKB:Q00059", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Trans-Golgi network integral membrane protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067035"], "id": "UniProtKB:O43493", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein THEM6", "xref": ["CHEMBL.TARGET:CHEMBL6066289"], "id": "UniProtKB:Q8WUY1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "THO complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6066378"], "id": "UniProtKB:Q8NI27", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thyroid hormone receptor-associated protein 3", "xref": ["CHEMBL.TARGET:CHEMBL4105820"], "id": "UniProtKB:Q9Y2W1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "THUMP domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066379"], "id": "UniProtKB:Q9NXG2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytotoxic granule associated RNA binding protein TIA1", "xref": ["CHEMBL.TARGET:CHEMBL6066919"], "id": "UniProtKB:P31483", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleolysin TIAR", "xref": ["CHEMBL.TARGET:CHEMBL6066512"], "id": "UniProtKB:Q01085", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial import inner membrane translocase subunit Tim13", "xref": ["CHEMBL.TARGET:CHEMBL6066276"], "id": "UniProtKB:Q9Y5L4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial import inner membrane translocase subunit TIM44", "xref": ["CHEMBL.TARGET:CHEMBL6066349"], "id": "UniProtKB:O43615", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial import inner membrane translocase subunit Tim9", "xref": ["CHEMBL.TARGET:CHEMBL6066451"], "id": "UniProtKB:Q9Y5J7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TIP41-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6067004"], "id": "UniProtKB:O75663", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transketolase", "xref": ["CHEMBL.TARGET:CHEMBL4983"], "id": "UniProtKB:P29401", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Talin-1", "xref": ["CHEMBL.TARGET:CHEMBL6067124"], "id": "UniProtKB:Q9Y490", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane 9 superfamily member 2", "xref": ["CHEMBL.TARGET:CHEMBL6067238"], "id": "UniProtKB:Q99805", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane 9 superfamily member 3", "xref": ["CHEMBL.TARGET:CHEMBL6066479"], "id": "UniProtKB:Q9HD45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane 9 superfamily member 4", "xref": ["CHEMBL.TARGET:CHEMBL6067183"], "id": "UniProtKB:Q92544", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium load-activated calcium channel", "xref": ["CHEMBL.TARGET:CHEMBL6067368"], "id": "UniProtKB:Q9UM00", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane emp24 domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066301"], "id": "UniProtKB:Q15363", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane emp24 domain-containing protein 7", "xref": ["CHEMBL.TARGET:CHEMBL6067355"], "id": "UniProtKB:Q9Y3B3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane emp24 domain-containing protein 9", "xref": ["CHEMBL.TARGET:CHEMBL6066330"], "id": "UniProtKB:Q9BVK6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Voltage-gated monoatomic cation channel TMEM109", "xref": ["CHEMBL.TARGET:CHEMBL5725036"], "id": "UniProtKB:Q9BVC6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 120A", "xref": ["CHEMBL.TARGET:CHEMBL6066365"], "id": "UniProtKB:Q9BXJ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 126A", "xref": ["CHEMBL.TARGET:CHEMBL6067127"], "id": "UniProtKB:Q9H061", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 14C", "xref": ["CHEMBL.TARGET:CHEMBL6067360"], "id": "UniProtKB:Q9P0S9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 161A", "xref": ["CHEMBL.TARGET:CHEMBL6066277"], "id": "UniProtKB:Q9NX61", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 164", "xref": ["CHEMBL.TARGET:CHEMBL6067184"], "id": "UniProtKB:Q5U3C3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Putative divalent cation/proton antiporter TMEM165", "xref": ["CHEMBL.TARGET:CHEMBL6067325"], "id": "UniProtKB:Q9HC07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 205", "xref": ["CHEMBL.TARGET:CHEMBL6067185"], "id": "UniProtKB:Q6UW68", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 33", "xref": ["CHEMBL.TARGET:CHEMBL5724606"], "id": "UniProtKB:P57088", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 41B", "xref": ["CHEMBL.TARGET:CHEMBL6067187"], "id": "UniProtKB:Q5BJD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 43", "xref": ["CHEMBL.TARGET:CHEMBL6067344"], "id": "UniProtKB:Q9BTV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CSC1-like protein 1", "synonym": ["Mechanosensitive cation channel TMEM63A"], "xref": ["CHEMBL.TARGET:CHEMBL6066437"], "id": "UniProtKB:O94886", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transmembrane protein 70, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067193"], "id": "UniProtKB:Q9BUB7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lamina-associated polypeptide 2, isoform alpha", "xref": ["CHEMBL.TARGET:CHEMBL5725102"], "id": "UniProtKB:P42166", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lamina-associated polypeptide 2, isoforms beta/gamma", "xref": ["CHEMBL.TARGET:CHEMBL6066902"], "id": "UniProtKB:P42167", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thymosin beta-10", "xref": ["CHEMBL.TARGET:CHEMBL6067186"], "id": "UniProtKB:P63313", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thymosin beta-4", "xref": ["CHEMBL.TARGET:CHEMBL6067128"], "id": "UniProtKB:P62328", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transportin-1", "xref": ["CHEMBL.TARGET:CHEMBL5725070"], "id": "UniProtKB:Q92973", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transportin-3", "xref": ["CHEMBL.TARGET:CHEMBL6067129"], "id": "UniProtKB:Q9Y5L0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tensin-4", "xref": ["CHEMBL.TARGET:CHEMBL6067432"], "id": "UniProtKB:Q8IZW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial import receptor subunit TOM22 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067373"], "id": "UniProtKB:Q9NS69", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Torsin-1A-interacting protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067329"], "id": "UniProtKB:Q5JTV8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tumor protein D54", "xref": ["CHEMBL.TARGET:CHEMBL6066421"], "id": "UniProtKB:O43399", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tripeptidyl-peptidase 1", "xref": ["CHEMBL.TARGET:CHEMBL6067052"], "id": "UniProtKB:O14773", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tripeptidyl-peptidase 2", "xref": ["CHEMBL.TARGET:CHEMBL6156"], "id": "UniProtKB:P29144", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleoprotein TPR", "xref": ["CHEMBL.TARGET:CHEMBL5725061"], "id": "UniProtKB:P12270", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "EKC/KEOPS complex subunit TPRKB", "xref": ["CHEMBL.TARGET:CHEMBL6066493"], "id": "UniProtKB:Q9Y3C4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translationally-controlled tumor protein", "xref": ["CHEMBL.TARGET:CHEMBL6066956"], "id": "UniProtKB:P13693", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transformer-2 protein homolog beta", "xref": ["CHEMBL.TARGET:CHEMBL5725060"], "id": "UniProtKB:P62995", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TNF receptor-associated factor 2", "xref": ["CHEMBL.TARGET:CHEMBL6067211"], "id": "UniProtKB:Q12933", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TRAF-type zinc finger domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066259"], "id": "UniProtKB:O14545", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translocating chain-associated membrane protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067446"], "id": "UniProtKB:Q15629", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin/ISG15 ligase TRIM25", "xref": ["CHEMBL.TARGET:CHEMBL5725068"], "id": "UniProtKB:Q14258", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase TRIM4", "xref": ["CHEMBL.TARGET:CHEMBL6067377"], "id": "UniProtKB:Q9C037", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tripartite motif-containing protein 59", "xref": ["CHEMBL.TARGET:CHEMBL6067126"], "id": "UniProtKB:Q8IWR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "tRNA (guanine(26)-N(2))-dimethyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL6067130"], "id": "UniProtKB:Q9NXH9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TRMT1-like protein", "synonym": ["tRNA (guanine(27)-N(2))-dimethyltransferase"], "xref": ["CHEMBL.TARGET:CHEMBL6066260"], "id": "UniProtKB:Q7Z2T5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding protein RO60", "xref": ["CHEMBL.TARGET:CHEMBL6066968"], "id": "UniProtKB:P10155", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transformation/transcription domain-associated protein", "xref": ["CHEMBL.TARGET:CHEMBL6067383"], "id": "UniProtKB:Q9Y4A5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translin", "xref": ["CHEMBL.TARGET:CHEMBL5725062"], "id": "UniProtKB:Q15631", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Thiosulfate sulfurtransferase", "xref": ["CHEMBL.TARGET:CHEMBL4295835"], "id": "UniProtKB:Q16762", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tetratricopeptide repeat protein 14", "xref": ["CHEMBL.TARGET:CHEMBL6067188"], "id": "UniProtKB:Q96N46", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Superkiller complex protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6067288"], "id": "UniProtKB:Q6PGP7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TELO2-interacting protein 1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066412"], "id": "UniProtKB:O43156", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TELO2-interacting protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067131"], "id": "UniProtKB:Q6NXR4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tubulin--tyrosine ligase-like protein 12", "xref": ["CHEMBL.TARGET:CHEMBL6066513"], "id": "UniProtKB:Q14166", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Titin", "xref": ["CHEMBL.TARGET:CHEMBL6067440"], "id": "UniProtKB:Q8WZ42", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-tubulin complex component 2", "xref": ["CHEMBL.TARGET:CHEMBL5724684"], "id": "UniProtKB:Q9BSJ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-tubulin complex component 3", "xref": ["CHEMBL.TARGET:CHEMBL5724683"], "id": "UniProtKB:Q96CW5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Gamma-tubulin complex component 4", "xref": ["CHEMBL.TARGET:CHEMBL6067132"], "id": "UniProtKB:Q9UGJ1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Elongation factor Tu, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL4105970"], "id": "UniProtKB:P49411", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Twinfilin-2", "xref": ["CHEMBL.TARGET:CHEMBL6067403"], "id": "UniProtKB:Q6IBS0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-taxilin", "xref": ["CHEMBL.TARGET:CHEMBL6066423"], "id": "UniProtKB:P40222", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor U2AF 35 kDa subunit", "xref": ["CHEMBL.TARGET:CHEMBL5725064"], "id": "UniProtKB:Q01081", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor U2AF 65 kDa subunit", "xref": ["CHEMBL.TARGET:CHEMBL5724607"], "id": "UniProtKB:P26368", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U2 snRNP-associated SURP motif-containing protein", "xref": ["CHEMBL.TARGET:CHEMBL5725087"], "id": "UniProtKB:O15042", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Uveal autoantigen with coiled-coil domains and ankyrin repeats", "xref": ["CHEMBL.TARGET:CHEMBL6067189"], "id": "UniProtKB:Q9BZF9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-associated protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6067203"], "id": "UniProtKB:Q5T6F2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-protein ligase E3A", "xref": ["CHEMBL.TARGET:CHEMBL6067133"], "id": "UniProtKB:Q05086", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-protein ligase E3C", "xref": ["CHEMBL.TARGET:CHEMBL6067433"], "id": "UniProtKB:Q15386", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin conjugation factor E4 A", "xref": ["CHEMBL.TARGET:CHEMBL6067182"], "id": "UniProtKB:Q14139", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquilin-1", "xref": ["CHEMBL.TARGET:CHEMBL6067208"], "id": "UniProtKB:Q9UMX0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquilin-2", "xref": ["CHEMBL.TARGET:CHEMBL6067354"], "id": "UniProtKB:Q9UHD9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UBX domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067134"], "id": "UniProtKB:Q04323", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UBX domain-containing protein 4", "xref": ["CHEMBL.TARGET:CHEMBL6066308"], "id": "UniProtKB:Q92575", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 UFM1-protein ligase 1", "xref": ["CHEMBL.TARGET:CHEMBL6066996"], "id": "UniProtKB:O94874", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-fold modifier 1", "xref": ["CHEMBL.TARGET:CHEMBL6066523"], "id": "UniProtKB:P61960", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucose 6-dehydrogenase", "xref": ["CHEMBL.TARGET:CHEMBL6067024"], "id": "UniProtKB:O60701", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UDP-glucose:glycoprotein glucosyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL5725043"], "id": "UniProtKB:Q9NYU2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "UTP--glucose-1-phosphate uridylyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL6067313"], "id": "UniProtKB:Q16851", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein unc-119 homolog A", "xref": ["CHEMBL.TARGET:CHEMBL6066441"], "id": "UniProtKB:Q13432", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein unc-93 homolog B1", "xref": ["CHEMBL.TARGET:CHEMBL6067426"], "id": "UniProtKB:Q9H1C4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Regulator of nonsense transcripts 1", "xref": ["CHEMBL.TARGET:CHEMBL6066487"], "id": "UniProtKB:Q92900", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome b-c1 complex subunit 1, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066918"], "id": "UniProtKB:P31930", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome b-c1 complex subunit 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066941"], "id": "UniProtKB:P22695", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Unhealthy ribosome biogenesis protein 2 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067278"], "id": "UniProtKB:Q14146", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Uroporphyrinogen decarboxylase", "xref": ["CHEMBL.TARGET:CHEMBL1681619"], "id": "UniProtKB:P06132", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vesicle transport protein USE1", "xref": ["CHEMBL.TARGET:CHEMBL6066524"], "id": "UniProtKB:Q9NZ43", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase F(0) complex subunit k, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066304"], "id": "UniProtKB:Q96IX5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin carboxyl-terminal hydrolase 39", "xref": ["CHEMBL.TARGET:CHEMBL5291601"], "id": "UniProtKB:Q53GS9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U3 small nucleolar RNA-associated protein 18 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067108"], "id": "UniProtKB:Q9Y5J1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small subunit processome component 20 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5725050"], "id": "UniProtKB:O75691", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein VAC14 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066525"], "id": "UniProtKB:Q08AM6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vesicle-associated membrane protein 7", "xref": ["CHEMBL.TARGET:CHEMBL6066305"], "id": "UniProtKB:P51809", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vesicle-associated membrane protein 8", "xref": ["CHEMBL.TARGET:CHEMBL6066312"], "id": "UniProtKB:Q9BV40", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vesicle-associated membrane protein-associated protein A", "xref": ["CHEMBL.TARGET:CHEMBL6066429"], "id": "UniProtKB:Q9P0L0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vesicle-associated membrane protein-associated protein B/C", "xref": ["CHEMBL.TARGET:CHEMBL6066990"], "id": "UniProtKB:O95292", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Valine--tRNA ligase", "xref": ["CHEMBL.TARGET:CHEMBL2612"], "id": "UniProtKB:P26640", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neurosecretory protein VGF", "xref": ["CHEMBL.TARGET:CHEMBL6067047"], "id": "UniProtKB:O15240", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Villin-1", "xref": ["CHEMBL.TARGET:CHEMBL6066442"], "id": "UniProtKB:P09327", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vitamin K epoxide reductase complex subunit 1-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066256"], "id": "UniProtKB:Q8N0U8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vacuolar ATPase assembly integral membrane protein VMA21", "xref": ["CHEMBL.TARGET:CHEMBL6067119"], "id": "UniProtKB:Q3ZAQ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vacuole membrane protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066488"], "id": "UniProtKB:Q96GC9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vacuolar protein sorting-associated protein 26A", "xref": ["CHEMBL.TARGET:CHEMBL6067011"], "id": "UniProtKB:O75436", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vacuolar protein sorting-associated protein 26B", "xref": ["CHEMBL.TARGET:CHEMBL6067157"], "id": "UniProtKB:Q4G0F5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vacuolar protein sorting-associated protein 28 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067209"], "id": "UniProtKB:Q9UK41", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tryptophan--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL6066299"], "id": "UniProtKB:P23381", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-binding protein WASF2", "xref": ["CHEMBL.TARGET:CHEMBL6067159"], "id": "UniProtKB:Q9Y6W5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WD repeat-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066472"], "id": "UniProtKB:O75083", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "pre-mRNA 3' end processing protein WDR33", "xref": ["CHEMBL.TARGET:CHEMBL5725052"], "id": "UniProtKB:Q9C0J8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WD repeat-containing protein 36", "xref": ["CHEMBL.TARGET:CHEMBL6067422"], "id": "UniProtKB:Q8NI36", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WD repeat-containing protein 82", "xref": ["CHEMBL.TARGET:CHEMBL5724608"], "id": "UniProtKB:Q6UXN9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Wolframin", "xref": ["CHEMBL.TARGET:CHEMBL6066374"], "id": "UniProtKB:O76024", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Partner of Y14 and mago", "xref": ["CHEMBL.TARGET:CHEMBL6066359"], "id": "UniProtKB:Q9BRP8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exportin-5", "xref": ["CHEMBL.TARGET:CHEMBL5724609"], "id": "UniProtKB:Q9HAV4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exportin-6", "xref": ["CHEMBL.TARGET:CHEMBL6066255"], "id": "UniProtKB:Q96QU8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exportin-7", "xref": ["CHEMBL.TARGET:CHEMBL6067212"], "id": "UniProtKB:Q9UIA9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "5'-3' exoribonuclease 2", "xref": ["CHEMBL.TARGET:CHEMBL6066360"], "id": "UniProtKB:Q9H0D6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine--tRNA ligase, cytoplasmic", "xref": ["CHEMBL.TARGET:CHEMBL3179"], "id": "UniProtKB:P54577", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein YIPF5", "xref": ["CHEMBL.TARGET:CHEMBL6067404"], "id": "UniProtKB:Q969M3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger CCCH domain-containing protein 11A", "xref": ["CHEMBL.TARGET:CHEMBL6067018"], "id": "UniProtKB:O75152", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger CCCH domain-containing protein 18", "xref": ["CHEMBL.TARGET:CHEMBL5725041"], "id": "UniProtKB:Q86VM9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger CCCH-type antiviral protein 1", "xref": ["CHEMBL.TARGET:CHEMBL4295879"], "id": "UniProtKB:Q7Z2W4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger CCCH-type antiviral protein 1-like", "xref": ["CHEMBL.TARGET:CHEMBL6066375"], "id": "UniProtKB:Q96H79", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger protein 3 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066430"], "id": "UniProtKB:Q96NJ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger RNA-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL6067338"], "id": "UniProtKB:Q96KR1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger protein with KRAB and SCAN domains 2", "xref": ["CHEMBL.TARGET:CHEMBL6066418"], "id": "UniProtKB:Q63HK3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CAAX prenyl protease 1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL3739253"], "id": "UniProtKB:O75844", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "MYND-type zinc finger-containing chromatin reader ZMYND8", "xref": ["CHEMBL.TARGET:CHEMBL3627580"], "id": "UniProtKB:Q9ULU4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger protein 277", "xref": ["CHEMBL.TARGET:CHEMBL6067158"], "id": "UniProtKB:Q9NRM2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger protein 787", "xref": ["CHEMBL.TARGET:CHEMBL6067428"], "id": "UniProtKB:Q6DD87", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zona pellucida sperm-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067247"], "id": "UniProtKB:P60852", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Centromere/kinetochore protein zw10 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067040"], "id": "UniProtKB:O43264", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-binding cassette sub-family F member 2", "xref": ["CHEMBL.TARGET:CHEMBL6067160"], "id": "UniProtKB:Q9UG63", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Complex I assembly factor ACAD9, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067161"], "id": "UniProtKB:Q9H845", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Uncharacterized aarF domain-containing protein kinase 5", "xref": ["CHEMBL.TARGET:CHEMBL4105886"], "id": "UniProtKB:Q3MIX3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Aldo-keto reductase family 1 member D1", "xref": ["CHEMBL.TARGET:CHEMBL6066875"], "id": "UniProtKB:P51857", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-1 complex subunit sigma-1A", "xref": ["CHEMBL.TARGET:CHEMBL6067198"], "id": "UniProtKB:P61966", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Arfaptin-2", "xref": ["CHEMBL.TARGET:CHEMBL6066871"], "id": "UniProtKB:P53365", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "V-type proton ATPase 16 kDa proteolipid subunit c", "xref": ["CHEMBL.TARGET:CHEMBL6066929"], "id": "UniProtKB:P27449", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BAG family molecular chaperone regulator 2", "xref": ["CHEMBL.TARGET:CHEMBL5725021"], "id": "UniProtKB:O95816", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Valacyclovir hydrolase", "synonym": ["Serine hydrolase BPHL"], "xref": ["CHEMBL.TARGET:CHEMBL3308924"], "id": "UniProtKB:Q86WA6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA transcription, translation and transport factor protein", "xref": ["CHEMBL.TARGET:CHEMBL6067445"], "id": "UniProtKB:Q9Y224", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Complement component 1 Q subcomponent-binding protein, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6066363"], "id": "UniProtKB:Q07021", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caspase recruitment domain-containing protein 19", "xref": ["CHEMBL.TARGET:CHEMBL6067439"], "id": "UniProtKB:Q96LW7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium-binding and coiled-coil domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066361"], "id": "UniProtKB:Q13137", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CCAAT/enhancer-binding protein zeta", "xref": ["CHEMBL.TARGET:CHEMBL6067231"], "id": "UniProtKB:Q03701", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lipid scramblase CLPTM1L", "xref": ["CHEMBL.TARGET:CHEMBL6067447"], "id": "UniProtKB:Q96KA5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Conserved oligomeric Golgi complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6067120"], "id": "UniProtKB:Q14746", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytochrome c oxidase assembly protein COX14", "xref": ["CHEMBL.TARGET:CHEMBL6067421"], "id": "UniProtKB:Q96I36", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Copine-4", "xref": ["CHEMBL.TARGET:CHEMBL6066496"], "id": "UniProtKB:Q96A23", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cleavage and polyadenylation specificity factor subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL5724781"], "id": "UniProtKB:Q10570", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rootletin", "xref": ["CHEMBL.TARGET:CHEMBL6067443"], "id": "UniProtKB:Q5TZA2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Centrosome and spindle pole-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067222"], "id": "UniProtKB:Q1MSJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcriptional repressor CTCF", "xref": ["CHEMBL.TARGET:CHEMBL4523233"], "id": "UniProtKB:P49711", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytoplasmic FMR1-interacting protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066298"], "id": "UniProtKB:Q96F07", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent RNA helicase DHX29", "xref": ["CHEMBL.TARGET:CHEMBL4105909"], "id": "UniProtKB:Q7Z478", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DnaJ homolog subfamily C member 13", "xref": ["CHEMBL.TARGET:CHEMBL6067017"], "id": "UniProtKB:O75165", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DnaJ homolog subfamily C member 9", "xref": ["CHEMBL.TARGET:CHEMBL5724805"], "id": "UniProtKB:Q8WXX5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Desmoglein-1", "xref": ["CHEMBL.TARGET:CHEMBL5725116"], "id": "UniProtKB:Q02413", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Translation initiation factor eIF2B subunit epsilon", "xref": ["CHEMBL.TARGET:CHEMBL5725120"], "id": "UniProtKB:Q13144", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitotic deacetylase-associated SANT domain protein", "xref": ["CHEMBL.TARGET:CHEMBL6066489"], "id": "UniProtKB:Q6PJG2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ER membrane protein complex subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL6067163"], "id": "UniProtKB:Q8N766", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "FAD synthase", "xref": ["CHEMBL.TARGET:CHEMBL3879869"], "id": "UniProtKB:Q8NFF5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Forkhead box protein K1", "xref": ["CHEMBL.TARGET:CHEMBL6066443"], "id": "UniProtKB:P85037", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Elongation factor G, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067436"], "id": "UniProtKB:Q96RP9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "General transcription factor IIF subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL5725079"], "id": "UniProtKB:P13984", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 2", "xref": ["CHEMBL.TARGET:CHEMBL6067451"], "id": "UniProtKB:Q6Y1H2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable helicase with zinc finger domain", "xref": ["CHEMBL.TARGET:CHEMBL6066901"], "id": "UniProtKB:P42694", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H1.3", "xref": ["CHEMBL.TARGET:CHEMBL6066306"], "id": "UniProtKB:P16402", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HLA class I histocompatibility antigen, B alpha chain", "xref": ["CHEMBL.TARGET:CHEMBL6066444"], "id": "UniProtKB:P01889", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Heterogeneous nuclear ribonucleoprotein D-like", "xref": ["CHEMBL.TARGET:CHEMBL6067050"], "id": "UniProtKB:O14979", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WASH complex subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL6067448"], "id": "UniProtKB:Q2M389", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinesin-like protein KIF2C", "xref": ["CHEMBL.TARGET:CHEMBL5967"], "id": "UniProtKB:Q99661", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kelch-like protein 6", "xref": ["CHEMBL.TARGET:CHEMBL6066409"], "id": "UniProtKB:Q8WZ60", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "La-related protein 7", "xref": ["CHEMBL.TARGET:CHEMBL4523314"], "id": "UniProtKB:Q4G0J3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase LMTK2", "xref": ["CHEMBL.TARGET:CHEMBL6067300"], "id": "UniProtKB:Q8IWU2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cell growth-regulating nucleolar protein", "xref": ["CHEMBL.TARGET:CHEMBL6067332"], "id": "UniProtKB:Q9NX58", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Membrane-bound glycerophospholipid O-acyltransferase 1", "xref": ["CHEMBL.TARGET:CHEMBL6067162"], "id": "UniProtKB:Q6ZNC8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Microfibrillar-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067453"], "id": "UniProtKB:P55081", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein bL21m", "xref": ["CHEMBL.TARGET:CHEMBL6067164"], "id": "UniProtKB:Q7Z2W9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein mS40", "xref": ["CHEMBL.TARGET:CHEMBL6067441"], "id": "UniProtKB:Q9Y676", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein uS2m", "xref": ["CHEMBL.TARGET:CHEMBL6066336"], "id": "UniProtKB:Q9Y399", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein bS1m", "xref": ["CHEMBL.TARGET:CHEMBL6067452"], "id": "UniProtKB:Q9Y2Q9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small ribosomal subunit protein mS34", "xref": ["CHEMBL.TARGET:CHEMBL6067264"], "id": "UniProtKB:P82930", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP synthase F(0) complex subunit 8", "xref": ["CHEMBL.TARGET:CHEMBL6066980"], "id": "UniProtKB:P03928", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "c-Myc-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL6067196"], "id": "UniProtKB:Q99417", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Unconventional myosin-Ig", "xref": ["CHEMBL.TARGET:CHEMBL5724621"], "id": "UniProtKB:B0I1T2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleolar MIF4G domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067109"], "id": "UniProtKB:Q5C9Z4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleolar protein 58", "xref": ["CHEMBL.TARGET:CHEMBL6067121"], "id": "UniProtKB:Q9Y2X3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "OCIA domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067371"], "id": "UniProtKB:Q9NX40", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Origin recognition complex subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL6067165"], "id": "UniProtKB:Q9UBD5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein kinase C and casein kinase substrate in neurons protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066445"], "id": "UniProtKB:Q9UNF0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Programmed cell death protein 2-like", "xref": ["CHEMBL.TARGET:CHEMBL5725169"], "id": "UniProtKB:Q9BRP1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peroxisomal biogenesis factor 3", "xref": ["CHEMBL.TARGET:CHEMBL6067260"], "id": "UniProtKB:P56589", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphorylated adapter RNA export protein", "xref": ["CHEMBL.TARGET:CHEMBL6067335"], "id": "UniProtKB:Q9H814", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pleckstrin homology domain-containing family G member 3", "xref": ["CHEMBL.TARGET:CHEMBL6066528"], "id": "UniProtKB:A1L390", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mismatch repair endonuclease PMS2", "xref": ["CHEMBL.TARGET:CHEMBL6066497"], "id": "UniProtKB:P54278", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Periphilin-1", "xref": ["CHEMBL.TARGET:CHEMBL6067412"], "id": "UniProtKB:Q8NEY8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Prospero homeobox protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067110"], "id": "UniProtKB:Q92786", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Parathymosin", "xref": ["CHEMBL.TARGET:CHEMBL6066490"], "id": "UniProtKB:P20962", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pumilio homolog 2", "xref": ["CHEMBL.TARGET:CHEMBL6067206"], "id": "UniProtKB:Q8TB72", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Reticulocalbin-1", "xref": ["CHEMBL.TARGET:CHEMBL6066498"], "id": "UniProtKB:Q15293", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Replication factor C subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL5725133"], "id": "UniProtKB:P35251", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ras suppressor protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6067230"], "id": "UniProtKB:Q15404", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 1", "xref": ["CHEMBL.TARGET:CHEMBL6066924"], "id": "UniProtKB:P28370", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 4 regulatory subunit 3A", "xref": ["CHEMBL.TARGET:CHEMBL6066394"], "id": "UniProtKB:Q6IN85", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small nuclear ribonucleoprotein F", "xref": ["CHEMBL.TARGET:CHEMBL6067167"], "id": "UniProtKB:P62306", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sorting nexin-2", "xref": ["CHEMBL.TARGET:CHEMBL6067023"], "id": "UniProtKB:O60749", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sorting nexin-9", "xref": ["CHEMBL.TARGET:CHEMBL6066410"], "id": "UniProtKB:Q9Y5X1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SPATS2-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6067166"], "id": "UniProtKB:Q9NUQ6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/arginine-rich splicing factor 9", "xref": ["CHEMBL.TARGET:CHEMBL4295813"], "id": "UniProtKB:Q13242", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Receptor for retinol uptake STRA6", "xref": ["CHEMBL.TARGET:CHEMBL6067365"], "id": "UniProtKB:Q9BX79", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transducin beta-like protein 3", "xref": ["CHEMBL.TARGET:CHEMBL6067168"], "id": "UniProtKB:Q12788", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tektin-1", "xref": ["CHEMBL.TARGET:CHEMBL6066431"], "id": "UniProtKB:Q969V4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Testis-expressed protein 10", "xref": ["CHEMBL.TARGET:CHEMBL6067270"], "id": "UniProtKB:Q9NXF1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dimethyladenosine transferase 2, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067169"], "id": "UniProtKB:Q9H5Q4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitochondrial import inner membrane translocase subunit Tim10", "xref": ["CHEMBL.TARGET:CHEMBL6067408"], "id": "UniProtKB:P62072", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Macoilin", "xref": ["CHEMBL.TARGET:CHEMBL6067170"], "id": "UniProtKB:Q8N5G2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin-conjugating enzyme E2 G2", "xref": ["CHEMBL.TARGET:CHEMBL4523256"], "id": "UniProtKB:P60604", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Vacuolar protein sorting-associated protein 51 homolog", "xref": ["CHEMBL.TARGET:CHEMBL6067326"], "id": "UniProtKB:Q9UID3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosome biogenesis protein WDR12", "xref": ["CHEMBL.TARGET:CHEMBL6067171"], "id": "UniProtKB:Q9GZL7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Exportin-4", "xref": ["CHEMBL.TARGET:CHEMBL6067406"], "id": "UniProtKB:Q9C0E2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger CCHC domain-containing protein 8", "xref": ["CHEMBL.TARGET:CHEMBL6067358"], "id": "UniProtKB:Q6NZY4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Putative uncharacterized protein ZNF436-AS1", "xref": ["CHEMBL.TARGET:CHEMBL6067111"], "id": "UniProtKB:Q8NC38", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial", "xref": ["CHEMBL.TARGET:CHEMBL6067363"], "id": "UniProtKB:Q16836", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Signal recognition particle receptor subunit alpha", "xref": ["CHEMBL.TARGET:CHEMBL4105934"], "id": "UniProtKB:P08240", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Large ribosomal subunit protein bL9m", "xref": ["CHEMBL.TARGET:CHEMBL6067282"], "id": "UniProtKB:Q9BYD2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL111277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVWVTPZZEHLARL-OFEZKSIWSA-N", "SMILES:CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL9194", "category": ["biolink:ChemicalEntity"], "name": "ATRASENTAN", "xref": ["InChIKey:MOTJMGVDPWRKOC-QPVYNBJUSA-N", "SMILES:CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1"], "synonym": ["Atrasentan", "Atrasentan", "Atrasentan"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5661872", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FPYJSJDOHRDAMT-XQNSMLJCSA-N", "SMILES:Cc1[nH]c(/C=C2/C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1"], "chembl_natural_product": true}
{"name": "Protein kinase C alpha type", "xref": ["CHEMBL.TARGET:CHEMBL2213"], "id": "UniProtKB:P04409", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9913"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675747", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIIXKCLNYBGCAH-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1c2c(c3ccccc31)CCCC2)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1290142", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOMDVJCUFVPZKM-UHFFFAOYSA-N", "SMILES:O=C(CCCCCn1c2ccccc2c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661883", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZABLXDQXUNASA-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c3ccccc3n2CCCCCC(=O)NO)C1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661899", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AVAOVICSJJIYRZ-UHFFFAOYSA-N", "SMILES:CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OMLUTJHTWFLQLY-UHFFFAOYSA-N", "SMILES:CN1CCc2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)C1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675751", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AQDDIRQJXQPFCW-UHFFFAOYSA-N", "SMILES:O=C(CCCCn1c2ccccc2c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675752", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WAMYNMBYUHKMBU-UHFFFAOYSA-N", "SMILES:O=C(CCCCCCn1c2ccccc2c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFPSJGMMFQUYBR-UHFFFAOYSA-N", "SMILES:CN1CCc2c(n(CCCCCC(=O)NO)c3ccccc23)C1.O=C(O)C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675750", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXJRDAZEIZNCSL-UHFFFAOYSA-N", "SMILES:O=C(CCn1c2ccccc2c2ccccc21)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMCPOSXJVLDJRU-UHFFFAOYSA-N", "SMILES:O=C(Cc1ccc(Cn2c3ccccc3c3ccccc32)cc1)NO"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3675754", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMOPUWFBSOHSLH-UHFFFAOYSA-N", "SMILES:O=C(NO)c1ccc(CCn2c3ccccc3c3ccccc32)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3349370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJSSPYJVWLTYHG-UHFFFAOYSA-N", "SMILES:COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UXCAKZGNKOZXBM-HAQNSBGRSA-N", "SMILES:Nc1nccn2c1c(-c1cc3cccc(Cl)c3[nH]1)nc2[C@H]1CC[C@H](C(=O)O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UJMICUYSFKYSHY-UHFFFAOYSA-N", "SMILES:C#CCCCOc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cccnn4)CC3)c2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL28324", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RJVLFQBBRSMWHX-DHUJRADRSA-N", "SMILES:CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12"]}
{"name": "Prostaglandin E2 receptor EP2 subtype", "xref": ["CHEMBL.TARGET:CHEMBL6067580"], "id": "UniProtKB:Q9XT82", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"id": "CHEMBL.COMPOUND:CHEMBL247070", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XNFHHOXCDUAYSR-SFHVURJKSA-N", "SMILES:c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3087498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IQCKJUKAQJINMK-HUBRGWSESA-N", "SMILES:CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2171169", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTLMDZJUGDUTCP-PTGPVQHPSA-N", "SMILES:CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661857", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RFVBTQBCRYTKHX-ZDXOVATRSA-N", "SMILES:CC(C)(C)c1ccc(NC(=O)NCCCNC[C@H]2O[C@@H](n3cc(Br)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661898", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KQTSVJQPAVOUSL-ZDXOVATRSA-N", "SMILES:Cc1ccc(NC(=O)NCCCN(C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2218938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMBDONCHHMIWFJ-UHFFFAOYSA-N", "SMILES:Oc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL358057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUBDWXAVMGEMPP-UHFFFAOYSA-N", "SMILES:CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CCCC5)c4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661914", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IPXXIMKPWSIHQB-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661936", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMGGCECGUUCYOI-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661923", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VFZBBGYGEAQJJV-UHFFFAOYSA-N", "SMILES:c1ccc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661894", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTYWTELNCXVBSK-UHFFFAOYSA-N", "SMILES:c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661876", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DTSBCBAYOGVOSD-UHFFFAOYSA-N", "SMILES:c1cc(-c2ccnc3ccc(-c4ccc5[nH]ncc5c4)cc23)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661866", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFGCPKNDCXIERA-UHFFFAOYSA-N", "SMILES:Nc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)Nc1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661869", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ONWYQSFEYGNBKT-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1ccc(F)cc1F)c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661926", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZURALKAFVQVZIL-UHFFFAOYSA-N", "SMILES:O=S(=O)(Nc1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)c1ccc(F)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661903", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNQZTNUIPOJBV-HXUWFJFHSA-N", "SMILES:CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661854", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYNQZTNUIPOJBV-FQEVSTJZSA-N", "SMILES:CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IUWVDURXQOYQEP-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C(C)=C(C(C)=O)C1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661893", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FUWNGXILMPFYNH-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C(C)=C(C(C)=O)C1c1ccc(Br)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661905", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YQFZOZQVKJGHCI-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C(C)=C(C(C)=O)C1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SPCKPUCTNALHAR-FGZHOGPDSA-N", "SMILES:CCOC(=O)[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)C(C)=C(C(C)=O)[C@H]1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661875", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBJUKAOCZPVHJY-UHFFFAOYSA-N", "SMILES:CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)CC1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661851", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXXAOGKWAZJDGU-UHFFFAOYSA-N", "SMILES:CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)CC1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661897", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQRPKYQJNUVUBG-UHFFFAOYSA-N", "SMILES:CC1=C(C#N)C(c2ccc(C#N)cc2)CC(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661864", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QFEKGVDBVLDUAY-LJQANCHMSA-N", "SMILES:CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661928", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKJOWIMBZBSEQE-OAQYLSRUSA-N", "SMILES:CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(CC(N)=O)[C@@H]1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661863", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZLTKYVJUHKVSOA-OAQYLSRUSA-N", "SMILES:CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(CC(=O)O)[C@@H]1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XERLAFZWYABQAT-LJQANCHMSA-N", "SMILES:CC1=C(C(=O)OCCO)[C@@H](c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661879", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJHXXRCWZRGKIH-LJQANCHMSA-N", "SMILES:CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RRKQYMJDNSVFCG-OAQYLSRUSA-N", "SMILES:CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(CC(=O)O)[C@@H]1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661868", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GRNXMMDVETZHML-RUZDIDTESA-N", "SMILES:CCN(CC)CCN1C(=O)N(c2cccc(C(F)(F)F)c2)C(C)=C(C(C)=O)[C@H]1c1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661856", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JWMSYLKNFJGSIG-GOSISDBHSA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661882", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUAPITZRJNIAHO-HXUWFJFHSA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc(C#N)cc2)N(CC(N)=O)C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MJSBQGLWAKMDDF-HHHXNRCGSA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc(C#N)cc2)N(CC(=O)N2CCN(C(C)C)CC2)C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661871", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSYUUHJALWVZGO-LJQANCHMSA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc(C#N)cc2)N(C)C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661860", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVPCACKXDLJDHV-GOSISDBHSA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc(C#N)cc2C(F)(F)F)NC(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661917", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WDHOMJMWKLFTGS-LJQANCHMSA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc(C#N)cc2C(F)(F)F)N(C)C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3617972", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQASVWJQEKONLG-LJQANCHMSA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)NC(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661855", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWDVKGZGYDFGQK-OGPYBGEISA-N", "SMILES:CC1=C(C#N)[C@@H](c2ccc(C#N)cc2[S@](C)(=N)=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661909", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODVSALYGTAYBGS-UHFFFAOYSA-N", "SMILES:Cc1cc(C)c2nc(-c3ccco3)cc(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661938", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKYKWBXJCAXXEW-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C)cc(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661932", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HYYHSHCGRMCRCS-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661891", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGCWKJJWXAVQNB-UHFFFAOYSA-N", "SMILES:Cc1nn(-c2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ANWWXXBCIPBWGW-UHFFFAOYSA-N", "SMILES:Cc1nn(C(C)c2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661924", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCHDBZLRXMQYOL-UHFFFAOYSA-N", "SMILES:Cc1nn(CCc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661865", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLVVVFYPXLITEC-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccc(C#N)cc2)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661896", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMWDVAACSWBXOS-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccc(C#N)cn2)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661885", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMHWQEQCCMKORB-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccc(C#N)c(F)c2)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661919", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HJZKOBOALSFQEU-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccc(C#N)cc2F)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661925", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRTZZHOLBSKNMO-UHFFFAOYSA-N", "SMILES:Cc1nn(CC2CCOCC2)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661922", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OYCRCKBVMFIGID-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(F)(F)F)nc3ccc(Br)cc23)c(C(F)(F)F)nn1Cc1ccc(F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661901", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHKDHHSQSZVIMW-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3ccccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LGMLKXQXZUDVPY-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cccc(F)c23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSLRZBMEFPHGBR-UHFFFAOYSA-N", "SMILES:Cc1cccc2nc(C(N)=O)cc(C(=O)Nc3c(C(F)(F)F)nn(Cc4ccc(C#N)cc4)c3C)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661849", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HBXKXXRRQJIJRG-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3ccc(F)cc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661884", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BIEISOHNYWNUIA-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(C(N)=O)cc(C(=O)Nc3c(C(F)(F)F)nn(Cc4ccc(C#N)cc4)c3C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661873", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QJMMARYXYAZEQD-UHFFFAOYSA-N", "SMILES:COc1ccc2nc(C(N)=O)cc(C(=O)Nc3c(C(F)(F)F)nn(Cc4ccc(C#N)cc4)c3C)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661915", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OSHZPHMMCGCAMN-UHFFFAOYSA-N", "SMILES:Cc1ccc2c(C(=O)Nc3c(C(F)(F)F)nn(Cc4ccc(C#N)cc4)c3C)cc(C(N)=O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KWLIZVFJACMHTN-UHFFFAOYSA-N", "SMILES:COc1ccc2c(C(=O)Nc3c(C(F)(F)F)nn(Cc4ccc(C#N)cc4)c3C)cc(C(N)=O)nc2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661921", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WGNKZDNKYFHWCC-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3c(F)cccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661888", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWBKGCWYDNMKRS-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3c(Cl)cccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661874", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UGXJUOXVOVKIPG-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3ccncc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661933", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CWASUJBNRKHFHU-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cnccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UDVIHXUPGVVFTI-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3ncccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJLYRRJNZDMNNV-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)cc(F)c23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661910", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FVCHETZUBCPYNZ-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)c(F)cc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661859", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JSCZYXYOGWTKPQ-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3scnc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661853", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFHSPKGPBHHJOJ-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2ccnc(C(N)=O)c2)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NCPQJZBOWARLET-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(-c3nccs3)nc3ccccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QIZKERNCYCGECH-UHFFFAOYSA-N", "SMILES:Cc1nc(C)c(-c2cc(C(=O)Nc3c(C(F)(F)F)nn(Cc4ccc(C#N)cc4)c3C)c3ccccc3n2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661930", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WEPMLRNQXNAKDE-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(-c3ncnn3C)nc3ccccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661862", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZIMJLHSVJHMEC-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BWSXXERGPSIQPP-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661927", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAYQBPGKAGSZCQ-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(=O)N3CCC3)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGXYYICRWADDHP-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(=O)N3CC(O)C3)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661902", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YIAWRZTXKOOAKI-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(=O)NCCN3CCOCC3)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NLIRYBSWIKFCMB-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccc(C#N)cc2)c(C)c1NC(=O)c1cc(C(N)=O)nc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PQXLHNMQCBOGJS-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccc(C#N)cc2)cc1NC(=O)c1cc(C(N)=O)nc2cc(F)ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661918", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GDJUIVIIRPZSJR-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)cnn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661911", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LUHHNRVUIPBDCT-UHFFFAOYSA-N", "SMILES:N#Cc1ccc(Cn2cc(NC(=O)c3cc(C(N)=O)nc4cc(F)ccc34)c(C(F)(F)F)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661940", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDJGKZYNHKSOEJ-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(C)C)nn1Cc1ccc(C#N)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661878", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDTIVUPPYRUWIP-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccccc1C#N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661892", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCTCHXKYZIIOFN-UHFFFAOYSA-N", "SMILES:Cc1ccccc1Cn1nc(C(F)(F)F)c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661861", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YWYINTILGIEXSY-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccccc1OC(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661929", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWZIDNSMNVRATG-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1cccc(C#N)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661907", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMJSQDNDKVLTDZ-UHFFFAOYSA-N", "SMILES:Cc1cccc(Cn2nc(C(F)(F)F)c(NC(=O)c3cc(C(N)=O)nc4cc(F)ccc34)c2C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMSUOYWZVNFOPV-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1cccc(OC(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661850", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SJHQCCAIPHHSPI-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661908", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQZZJAIOHNXKA-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(OC(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UELMPNTWJSQIOB-UHFFFAOYSA-N", "SMILES:CCc1ccc(Cn2nc(C(F)(F)F)c(NC(=O)c3cc(C(N)=O)nc4cc(F)ccc34)c2C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4552180", "category": ["biolink:ChemicalEntity"], "name": "BAY-588", "xref": ["InChIKey:DNGZBWVQLFNTRT-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C(C)(C)C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661934", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CJDVUGHFAUGCOI-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661890", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIUBJJWEUNXJGN-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661920", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PARQKQQZWRWENR-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661852", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QPRAMIWFCPMHCD-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1cnc(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKRSTOXCKFVCIA-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ncc(C#N)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661913", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PBKOSJBDJUDWRP-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SWCCZOSIVDUGIB-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1nc(C#N)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661867", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HDEUJGCTGRPOIG-UHFFFAOYSA-N", "SMILES:Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1cc(C#N)no1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661887", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHAGCICJYVETKE-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccc(F)cc2)c(C)c1N"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWZZPWWGGVYVOH-UHFFFAOYSA-N", "SMILES:Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2322138", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKHAJXJHGMVFFP-UHFFFAOYSA-N", "SMILES:c1cc2c(ncc3ncn(C4CCCCC4)c32)[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4128410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEEOSFZCVGCXOH-PKNBQFBNSA-N", "SMILES:CN(C)C(=O)/C=C/c1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)o1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125935", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQGOBAIIYVOGDB-MDZDMXLPSA-N", "SMILES:NC(=O)/C=C/c1cccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4125798", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZTGAHNNBSHOQDJ-VAWYXSNFSA-N", "SMILES:CN(C)C(=O)/C=C/c1cccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4127174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BKSAEVHNGVURBS-JLHYYAGUSA-N", "SMILES:CN(C)C(=O)/C=C/c1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZCIBYIKJOQODV-PXDATVDWSA-N", "SMILES:Cn1c(=O)n([C@@H]2CC[C@@H](O)c3ccccc32)c2cc(-n3cnc4ccc(C#N)cc43)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2325895", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIEMFXMJGAMFQR-INIZCTEOSA-N", "SMILES:CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CC(C#N)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661931", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AZIPXHUPPSXXES-SNAWJCMRSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1nc2cnc3[nH]ccc3c2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661904", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLIQUBIFFVTLDI-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1nc2cnc3[nH]ccc3c2n1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5661858", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CVFYLUGNOLKEFO-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2ncn(-c3cncc(Nc4ccccc4)n3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4204801", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZECOFRPCLZCOI-MDWZMJQESA-N", "SMILES:N#C/C(=C\\c1cccc(-c2cccc3[nH]ncc23)c1)C(N)=O"]}
{"name": "Mitotic checkpoint serine/threonine-protein kinase BUB1 beta", "xref": ["CHEMBL.TARGET:CHEMBL4295998"], "id": "UniProtKB:O60566", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peroxisomal carnitine O-octanoyltransferase", "xref": ["CHEMBL.TARGET:CHEMBL2206"], "id": "UniProtKB:Q9UKG9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hepatocyte growth factor-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6042"], "id": "UniProtKB:P26927", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cyclin-dependent kinase-like 1", "xref": ["CHEMBL.TARGET:CHEMBL5789"], "id": "UniProtKB:Q00532", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein kinase 35", "xref": ["CHEMBL.TARGET:CHEMBL5651"], "id": "UniProtKB:Q8TDR2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Alpha-protein kinase 3", "xref": ["CHEMBL.TARGET:CHEMBL6066155"], "id": "UniProtKB:Q96L96", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Adenosine 5'-monophosphoramidase HINT2", "xref": ["CHEMBL.TARGET:CHEMBL5724647"], "id": "UniProtKB:Q9BX68", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL310798", "category": ["biolink:ChemicalEntity"], "name": "TYRPHOSTIN 25", "xref": ["InChIKey:YZOFLYUAQDJWKV-UHFFFAOYSA-N", "SMILES:N#CC(C#N)=Cc1cc(O)c(O)c(O)c1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL2028998", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YVXCDLCJCIDFHE-AFARHQOCSA-N", "SMILES:CCNc1cc(N[C@H]2CC[C@H](O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665391", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZHGLJJSISHRVHL-SOFGYWHQSA-N", "SMILES:COc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C"]}
{"name": "Tuberin", "xref": ["CHEMBL.TARGET:CHEMBL6067627"], "id": "UniProtKB:P49815", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1317546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YHKSBKQXCWHTQL-UHFFFAOYSA-N", "SMILES:CC(=O)c1ccc(N2CCOCC2)cc1O"]}
{"name": "Vascular endothelial growth factor receptor 1", "xref": ["CHEMBL.TARGET:CHEMBL3516"], "id": "UniProtKB:P35969", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL477989", "category": ["biolink:ChemicalEntity"], "name": "SB590885", "xref": ["InChIKey:MLSAQOINCGAULQ-QFMPWRQOSA-N", "SMILES:CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\\O)[nH]2)cc1"], "chembl_natural_product": true}
{"name": "Serine/threonine-protein kinase PLK1", "xref": ["CHEMBL.TARGET:CHEMBL6067587"], "id": "UniProtKB:Q62673", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"name": "Receptor tyrosine-protein kinase erbB-2", "xref": ["CHEMBL.TARGET:CHEMBL2311234"], "id": "UniProtKB:P70424", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Tyrosine-protein kinase JAK2", "xref": ["CHEMBL.TARGET:CHEMBL1075225"], "id": "UniProtKB:Q62689", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL394135", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVIQXTHQSWQJHO-WGSAOQKQSA-N", "SMILES:Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1CC[C@H](C(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665369", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AWARRGOPBGTLFG-MXVIHJGJSA-N", "SMILES:Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1CC[C@H](C(N)=O)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL261805", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFQVOSHWRZTZHW-UHFFFAOYSA-N", "SMILES:Nc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665399", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BLEFZAYSCVLWDL-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc(-c2cc(F)cc(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4460070", "category": ["biolink:ChemicalEntity"], "name": "ZINC32547799", "xref": ["InChIKey:RVKAHYFWSKSSQQ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc(-c2cccc(CO)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665386", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SOTABOMITSVKAE-GFCCVEGCSA-N", "SMILES:O=C1N[C@H](c2cccc([N+](=O)[O-])c2)c2c(-c3ccco3)n[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665364", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQCIMQSIJZKDEQ-CYBMUJFWSA-N", "SMILES:COc1cc([C@H]2NC(=O)c3[nH]nc(-c4ccco4)c32)ccc1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665404", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYBPFSLETHRBLU-OAHLLOKOSA-N", "SMILES:O=C1N[C@H](c2ccccc2[N+](=O)[O-])c2c(-c3ccccc3)n[nH]c21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665392", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IYKSWIVBUDSGKM-UHFFFAOYSA-N", "SMILES:CC(=O)c1cccc(-c2nc(N)nc(Nc3ccc(C)cc3)n2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665414", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SHTQGPWEMPQNSM-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc(-c2ccc(F)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665409", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSUCQFGQESRAEP-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc(-c2ccccc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HTORMMJHYZJHDZ-UHFFFAOYSA-N", "SMILES:Cc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)c2cccnc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665400", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XGFFCRRTEGTCAT-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc(-c2ccc(CO)cc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4442546", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VCCOJKMWNUULAK-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCc2ccccc2)nc(-c2ccccc2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4541461", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MTOAYOORGDYMTH-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCCc2ccccc2)nc(-c2ccccc2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4544846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RYAMWPNARRKCJJ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCCCCc2ccccc2)nc(-c2ccccc2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4590072", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ODQVHGMWWBGODF-UHFFFAOYSA-N", "SMILES:COc1ccc(CNc2nc(N)nc(-c3ccccc3CO)n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DELRSTQCRGGUOY-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2cc[nH]n2)nc(-c2ccccc2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665382", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWIAHSFWQLDEIW-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2F)nc(-c2cc(F)c(F)cc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665393", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FIBAHSREVJCEHW-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2cccc(F)c2)nc(-c2cc(F)c(F)cc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4455448", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLQATDRNTXGKBS-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)c(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665402", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AATMNGMNASOEFC-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2cccc(F)c2)nc(-c2ccc(F)cc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665387", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKASAOHGFYFBQZ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2F)nc(-c2cccc(F)c2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665381", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LHQYEKQWWWYZER-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2F)nc(-c2ccc(F)cc2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665390", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMEWUJIOVBBNLF-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2cccc(F)c2)nc(-c2cccc(F)c2N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665425", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UUBCXCBUOZWBDJ-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2ccccc2)nc(-c2ccc(F)c(F)c2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665371", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MCZPSNCXXQJXHY-UHFFFAOYSA-N", "SMILES:Nc1nc(NCc2cccc(F)c2)nc(-c2ccc(F)c(F)c2CO)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1624302", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BEPGKLOHQTXUHX-UHFFFAOYSA-N", "SMILES:Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)s1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL84567", "category": ["biolink:ChemicalEntity"], "name": "TRACAZOLATE", "xref": ["InChIKey:PCTRYMLLRKWXGF-UHFFFAOYSA-N", "SMILES:CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC"], "synonym": ["Tracazolate", "Tracazolate", "Tracazolato", "Ici-136,753", "ICI 136,753", "ICI-136753", "Tracazolate"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1492152", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MOJJOJXUACHANH-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2csc(NC(=O)CSc3nc[nH]n3)n2)cc1OC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4524214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PIAWQVCBQLTEIY-UHFFFAOYSA-N", "SMILES:CN1N=C(SCc2ccc(Cl)cc2Cl)Sc2c1cnn(C)c2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665429", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOUOJJZNILPQML-UHFFFAOYSA-N", "SMILES:O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1csnn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665423", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RQRYLMPIJCQQII-UHFFFAOYSA-N", "SMILES:O=C1CCc2cc(-c3csc(NC(=O)c4ccc(-c5ccccc5F)o4)n3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665395", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YAUFISAXTWWIMP-KRWDZBQOSA-N", "SMILES:Cc1nc(-c2ncccn2)sc1C(=O)O[C@@H](c1ccccc1)c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2028997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SNYRSILPNZIHHZ-FIXZTSJVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL323503", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSVZRIZCHZUHB-COLVAYQJSA-N", "SMILES:C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1738990", "category": ["biolink:ChemicalEntity"], "name": "LEVOPROPOXYPHENE", "xref": ["InChIKey:XLMALTXPSGQGBX-PGRDOPGGSA-N", "SMILES:CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C"], "synonym": ["Levopropoxyphene", "Levopropoxyphene", "Levopropoxifeno", "(-)-propoxyphene", "L-propoxyphene", "Propoxyphene, (-)-", "Propoxyphene, l-"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL5665367", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIKCNHQDMMSAC-OXHMUOHRSA-N", "SMILES:C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OROGSEYTTFOCAN-KIHUKQFUSA-N", "SMILES:COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@H](C2)N(C)CC[C@]341"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3307199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YGSVZRIZCHZUHB-LKTVYLICSA-N", "SMILES:C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5665374", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BQJCRHHNABKAKU-QHQPWPDESA-N", "SMILES:CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@H](O)C=C[C@@H]3[C@@H]1C5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5665368", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNOZGOFZPAFTSR-VCCNMJPESA-N", "SMILES:COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@@H]4C=C[C@@]1(O)C(C)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665375", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMYAHWMMNIFPHT-GKZIKETMSA-N", "SMILES:CC(=O)[C@]1(O)C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5665408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YKCYOSYZVIDJSI-UNHORJANSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1457", "category": ["biolink:ChemicalEntity"], "name": "HYDROCODONE", "xref": ["InChIKey:LLPOLZWFYMWNKH-CMKMFDCUSA-N", "SMILES:COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314"], "synonym": ["Hydrocodone", "Hydrocodone", "Hydrocodone", "Hidrocodona", "Hydrocodone", "Hydrocodone", "NSC-19044", "Hydrocodone cii", "Oxycodone hydrochloride, hydrocodone-"], "chembl_prodrug": true, "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL217379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRPLGMBDXVBPEG-VGXZEHLRSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL407832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CZWWJMLXKYUVTQ-VCZUSBFASA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL500830", "category": ["biolink:ChemicalEntity"], "name": "DYNORPHIN B", "xref": ["InChIKey:AGTSSZRZBSNTGQ-ITZCFHCWSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL248095", "category": ["biolink:ChemicalEntity"], "name": "SINOMENINE", "xref": ["InChIKey:INYYVPJSBIVGPH-QHRIQVFBSA-N", "SMILES:COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O"], "synonym": ["Cucoline", "Kukoline", "Sinomenin", "Sinomenine"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5665379", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LEPBHAAYNPPRRA-UHFFFAOYSA-N", "SMILES:CN1CCC2(c3cccc(O)c3)Cc3nc4ccccc4cc3CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665378", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQXXSQDCDRQNQE-AGRHKRQWSA-N", "SMILES:COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5665430", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPKMBGVNFQCKEV-UHFFFAOYSA-N", "SMILES:COC1=CC2CN(C)CCC2C=C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665416", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNUWKYBPCFUDDK-DYQOJKGJSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2370408", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MASXKPLGZRMBJF-MVSGICTGSA-N", "SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665421", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FYSKZKQBTVLYEQ-FSLKYBNLSA-N", "SMILES:NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL1644379", "category": ["biolink:ChemicalEntity"], "name": "COMPLANADINE A", "xref": ["InChIKey:CBERWKKQXZDPGS-AKGGLISVSA-N", "SMILES:C[C@@H]1C[C@H]2Cc3ncc(-c4ccc5c(n4)C[C@@H]4C[C@@H](C)C[C@]56NCCC[C@H]46)cc3[C@]3(C1)NCCC[C@H]23"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5665419", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NHXLMOGPVYXJNR-WQIJAEMESA-N", "SMILES:C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5665437", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRXACUTSRYKSH-SSAUKDKPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665438", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFIKCNHQDMMSAC-CKLFPEKLSA-N", "SMILES:C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CN2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665426", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRWVOYRJXPDBPM-HSCJLHHPSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5665418", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DMLQNGTVSVONJR-JBSZFOKHSA-N", "SMILES:CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)c4O[C@@]2(O)[C@@H](O)C=C[C@H]3[C@H]1C5"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1908321", "category": ["biolink:ChemicalEntity"], "name": "NORCODEINE", "xref": ["InChIKey:HKOIXWVRNLGFOR-KOFBORESSA-N", "SMILES:COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@@]341"], "synonym": ["Norcodeine", "Norcodeina", "3-o-methylnormorphine", "N-demethylcodeine", "N-desmethylcodeine", "Normorphine 3-methyl ether", "IDS-NN-005(SECT.2)"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5665388", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGVOAWIBXANWKY-UHFFFAOYSA-N", "SMILES:Cc1cc2nc(-c3ccccc3)cc(N3CCC(N(C)C)C3)n2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665373", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RTXIYIQLESPXIV-VLOLPVCOSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL5665380", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZQHYKVKNPWDQSL-NPFVIJTESA-N", "SMILES:C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL415247", "category": ["biolink:ChemicalEntity"], "name": "JDTIC", "xref": ["InChIKey:ZLVXBBHTMQJRSX-VMGNSXQWSA-N", "SMILES:CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1"], "synonym": ["Jdtic", "Rti-jdtic"]}
{"id": "CHEMBL.COMPOUND:CHEMBL63188", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILBHHEXPXBRSKB-FWEHEUNISA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL293465", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DIXKOJUSHXZXKB-QKUYTOGTSA-N", "SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3480622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XKBSPAZCFAIBJL-UHFFFAOYSA-N", "SMILES:CN(C)C1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4534980", "category": ["biolink:ChemicalEntity"], "name": "(S)-ZINC-3573", "xref": ["InChIKey:XKBSPAZCFAIBJL-HNNXBMFYSA-N", "SMILES:CN(C)[C@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665366", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZHHEEJRHNWMHI-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc2c(c1)NC(=O)CC(C)N2C(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4746525", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFRXCBNKKOFGO-IGEOTXOUSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665383", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YBWKVNYOXOJCNN-UHFFFAOYSA-N", "SMILES:CC1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665405", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KKVQLEIOIJUMGN-UHFFFAOYSA-N", "SMILES:CC1CC(=O)Nc2cc(C(=O)NCCC3CCC3)ccc2N1C(=O)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665427", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYZZZLQSMITHG-AWEZNQCLSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665434", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YEYZZZLQSMITHG-CQSZACIVSA-N", "SMILES:C[C@@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CCC(N)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665403", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZYVTWWWVLNXJLU-AWEZNQCLSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665365", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GXXSTROUGDDDKD-HNNXBMFYSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CCCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665435", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMTUEMLVNMDXOP-MELYUZJYSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC[C@@H](N)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665376", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMTUEMLVNMDXOP-LINSIKMZSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC[C@H](N)C1.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665389", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLDAXAMATLYWEE-INIZCTEOSA-N", "SMILES:CCN1CCN(C(=O)N2c3ccc(C(=O)NCCC4CC4)cc3NC(=O)C[C@@H]2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665411", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVEIPBWOPFUEIN-AWEZNQCLSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)NC1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLLCDQPKSXWQDO-HNNXBMFYSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N(C)C1CCNCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665398", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FKGMHPTWIHXAIY-KRWDZBQOSA-N", "SMILES:CCN1CCC(N(C)C(=O)N2c3ccc(C(=O)NCCC4CC4)cc3NC(=O)C[C@@H]2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665406", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DFFBKHGNMNLRBN-HNNXBMFYSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CCN(CC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665424", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVLKIHBPIAGZGX-INIZCTEOSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N(C)C1CCN(CC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665363", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WYSPRNTWYSBEBJ-HNNXBMFYSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CCC(NCC(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665431", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKKMFVWGILOBOA-INIZCTEOSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CCN(CCO)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665407", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SIQVTLDFVQLVAD-AWEZNQCLSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CCC(F)(F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WTLLEAVNWUXTHG-ZDUSSCGKSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CCC(F)(F)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665397", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CKFRXCBNKKOFGO-NVPAJSRCSA-N", "SMILES:C[C@@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665433", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FNTARNKIMWWTFZ-NNGSBXSVSA-N", "SMILES:C[C@H]1CC(=O)Nc2cc(C(=O)N(C)CCC3CC3)ccc2N1C(=O)N1CC2CC2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665428", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TYVDZRYUGKVPPP-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc2c(c1)NC(=O)CC(C)N2C(=O)CCC1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665412", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMWMFVIMZCQHNH-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)c1ccc2c(c1)NC(=O)CC(C)N2C(=O)c1ccccc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665394", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UYFHISQKQUBURB-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)c1ccc2c(c1)NC(=O)CC(C)N2C(=O)c1ccc(C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665422", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PGKZCUJYURVTFI-UHFFFAOYSA-N", "SMILES:CCCCCNC(=O)c1ccc2c(c1)NC(=O)CC(C)N2C(=O)C1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665436", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DKCIRHZVWARWLZ-UHFFFAOYSA-N", "SMILES:CCCNC(=O)c1ccc2c(c1)NC(=O)CC(C)N2C(=O)c1cccs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5665413", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWMNTISJDVMDGL-UHFFFAOYSA-N", "SMILES:CCCCNC(=O)c1ccc2c(c1)NC(=O)CC(C)N2C(=O)c1cccc(F)c1"]}
{"name": "Histone-lysine N-methyltransferase SMYD1", "xref": ["CHEMBL.TARGET:CHEMBL5465333"], "id": "UniProtKB:Q8NB12", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lysine-specific demethylase 6B", "xref": ["CHEMBL.TARGET:CHEMBL5724646"], "id": "UniProtKB:Q5NCY0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Bromodomain-containing protein 4", "xref": ["CHEMBL.TARGET:CHEMBL3085619"], "id": "UniProtKB:Q9ESU6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Mediator of RNA polymerase II transcription subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL5724624"], "id": "UniProtKB:Q15648", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5678791", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYZQPJRVTADXNE-BSBCAUIJSA-N", "SMILES:N[C@H]1CC[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc(C4CC4)on2)C3)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5203609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRPLAOXTIXKDEC-UOYPZJKHSA-N", "SMILES:CCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5678794", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSUYPIXCRPCPGF-UHFFFAOYSA-N", "SMILES:NC(=O)C1CCN(CC(=O)Nc2ccc(Br)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798468", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SSDPURPCLGSTBN-NUNAXRQHSA-N", "SMILES:O=C1Cc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)N3CCC(NCc4ccccc4)CC3)c(Cl)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3798741", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTEIUEJPHNOGBG-ACDBMABISA-N", "SMILES:O=C1Cc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC3CCN(CCCC(F)(F)F)CC3)c(Cl)cc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JOFNRKXHKKTQIC-SGNDLWITSA-N", "SMILES:CCCCN(CCCC)C(=O)CN1[C@H](c2cc(OC)c3c(c2)OCO3)C[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC"]}
{"name": "Endothelin receptor type B", "xref": ["CHEMBL.TARGET:CHEMBL3949"], "id": "UniProtKB:P35463", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9823"]}
{"id": "CHEMBL.COMPOUND:CHEMBL25438", "category": ["biolink:ChemicalEntity"], "name": "PD-156707 SODIUM", "xref": ["InChIKey:ZLHQEGFYBMZQGM-RKVLWQGQSA-M", "SMILES:COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(\\C(=O)[O-])c2ccc3c(c2)OCO3)cc1.[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL8978", "category": ["biolink:ChemicalEntity"], "name": "L-754142", "xref": ["InChIKey:JPPYWKVKLSBQJM-UHFFFAOYSA-N", "SMILES:CCCc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHBIISPHYTOGL-XWEDOZOUSA-L", "SMILES:CC(C)C[C@@H]1NC(=O)[C@H](c2cccs2)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(=O)N2CCN(c3ccccc3)CC2)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O.[Na+].[Na+]"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687038", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FEJVSJIALLTFRP-IBGZPJMESA-N", "SMILES:COc1cc(OC)nc(O[C@@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL8823", "category": ["biolink:ChemicalEntity"], "name": "SB-209670", "xref": ["InChIKey:UUAVCCWBNUITBB-UPRLRBBYSA-N", "SMILES:CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCC(=O)O)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3775234", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUBDGKVDJUIMQQ-ZTNLKOGPSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687014", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VNBOQGHLRDYRCV-LFHFUXDMSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"]}
{"name": "Endothelin receptor type B", "xref": ["CHEMBL.TARGET:CHEMBL2259248"], "id": "UniProtKB:Q9N0W7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9986"]}
{"name": "Insulin-like growth factor 1 receptor", "xref": ["CHEMBL.TARGET:CHEMBL5381"], "id": "UniProtKB:Q60751", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3662848", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIUOWTNXQICTJG-MSOLQXFVSA-N", "SMILES:C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)CN1CC1CCOCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687035", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHTJEUOFLVQMCL-UFVXJIOISA-N", "SMILES:CC(=N/O)/C(C)=C/c1ccc(Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZUTUWJYMCADJHD-UHFFFAOYSA-N", "SMILES:CCC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1173240", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CHLCWXNTFXVPAL-MRXNPFEDSA-N", "SMILES:Cc1nc(Nc2cccc3c2C[C@H](O)CC3)oc1-c1ccc(C(F)(F)F)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1738759", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMUVVEBHULJOFP-SFHVURJKSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc3c(c2)C[C@@H](C(=O)O)NC3)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687009", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NZRHNPOANBPCFM-UHFFFAOYSA-N", "SMILES:CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc3ncccc3c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5686996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PAOKZJIFQMAOJE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)c(F)c2)ccn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687006", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PMRLOUDIAGOBHB-UHFFFAOYSA-N", "SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4c(c3)CCNC4)c(F)c2)ccn1"]}
{"name": "Crk-like protein", "xref": ["CHEMBL.TARGET:CHEMBL6066237"], "id": "UniProtKB:P47941", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"name": "Casein kinase I homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL3497"], "id": "UniProtKB:P23291", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:559292"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2133638", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTDIKMSKMREGO-UHFFFAOYSA-N", "SMILES:Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3979323", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IRTDIKMSKMREGO-HNNXBMFYSA-N", "SMILES:Cc1cc([C@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MDMKMVJXLJMUHP-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(C)(=O)=O)c2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064327", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FZTZVNFKDPBYKA-UHFFFAOYSA-N", "SMILES:Cc1cc(F)ccc1Oc1cccc2c(=O)cc(N3CCOCC3)[nH]c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673040", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YSFFGUHMDPYPAW-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WUWXJIFZTHONGM-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCOCC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CRFHZXHUGPCWJA-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QLKDLRKSVVJKHA-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2ccccc2N(C)c2nc(NCCc3cnc[nH]3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4632948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NPRYKZQCTXZUKH-UHFFFAOYSA-N", "SMILES:CC(C)Oc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5686992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJNDWYLNOREHCQ-UHFFFAOYSA-N", "SMILES:COc1cc(NCCN(C)C)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QRVNXVTYIYXPER-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPYTOVXFOGRIN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JGVXSQJYBQAPAE-UHFFFAOYSA-N", "SMILES:CCN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYTFTZONXCQXLW-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C(C)C)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NFNBVXVXMQZSGB-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5686989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LOYSOCNFHOPWJA-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccc(F)cc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHSOYHKODVPGTH-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1cc(Cl)ccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1673056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VHGSQSKYNALGRI-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccc(Cl)cc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2381339", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UWHQAHZPBAISBU-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N1CCc3cccc(c31)C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OXSKLFUMHBJZNS-UHFFFAOYSA-N", "SMILES:COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LIVCKQXPLPAUPC-UHFFFAOYSA-N", "SMILES:CN1CCC(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687020", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYQIJHLSMVMBKZ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1cc(C)ccc1C(=O)N2C"]}
{"name": "Kappa-casein", "xref": ["CHEMBL.TARGET:CHEMBL3621024"], "id": "UniProtKB:P07498", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mitogen-activated protein kinase 4", "xref": ["CHEMBL.TARGET:CHEMBL5759"], "id": "UniProtKB:P31152", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Uncharacterized serine/threonine-protein kinase SBK3", "xref": ["CHEMBL.TARGET:CHEMBL5116"], "id": "UniProtKB:P0C264", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VGRHRLOVUZTBHT-VWLOTQADSA-N", "SMILES:CN1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(Oc5ccccc5)c4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064555", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFSVHJLQTWQXIO-JOCHJYFZSA-N", "SMILES:CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064558", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DRAPUDHCQNOIEX-HXUWFJFHSA-N", "SMILES:CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)n[nH]c2C1(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2064628", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVBWTZHNQZHFHR-QGZVFWFLSA-N", "SMILES:CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)n[nH]c2C1(C)C)c1ccccc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3580667", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QXQGBBYXXQZSKI-MSRIBSCDSA-N", "SMILES:N[C@@H]1[C@H]2CN(c3nc(Nc4cc(C5CC5)[nH]n4)c4sccc4n3)C[C@@H]12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JZLFYMHIISZQCZ-FYTWVXJKSA-N", "SMILES:CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL3596912", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RHZPBNHUNKAZOC-UHFFFAOYSA-N", "SMILES:O=C(c1cc(CO)ccc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JDQPBXZXEOUYLD-UHFFFAOYSA-N", "SMILES:CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc(C(C)C)[nH]n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687023", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NENRVKZTFIFJRO-STQMWFEESA-N", "SMILES:CN(Cc1ccc2[nH]ccc2n1)c1nccc(Nc2cc([C@H]3C[C@@H]3F)[nH]n2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MVIXSPFFCUNNHO-UHFFFAOYSA-N", "SMILES:CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3597011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UOQSDEILBQECQK-UHFFFAOYSA-N", "SMILES:CN1CCc2cc(-c3cnc4[nH]cc(C(=O)c5ccccc5Cl)c4c3)ccc2C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609329", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGBFDSJYMVTWOH-UHFFFAOYSA-N", "SMILES:CN1CCN(C2=Nc3cc(F)ccc3N(C)c3ccc(Cl)cc32)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3609330", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NQBRFDSRSGHBBK-UHFFFAOYSA-N", "SMILES:CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687001", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVBGOGCJSMNMG-UHFFFAOYSA-N", "SMILES:CCN1c2ccc(F)cc2N=C(NC2CCN(C(=O)NC(C)(C)C)C2)c2cc(Cl)ccc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OINGHOPGNMYCAB-UHFFFAOYSA-N", "SMILES:CC(C)NC(=O)N1CCC(NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTBSBSOBZHXMHI-UHFFFAOYSA-N", "SMILES:CCn1cnc2c(Nc3cccc(Cl)c3)nc(NC3CCCCC3N)nc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3128055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NDZPPXQOOUNQTQ-UHFFFAOYSA-N", "SMILES:CCNc1nc2ccc(C#CC(C)(C)O)cc2n1-c1ncnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3128050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSIUBEYNBJJYTG-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(C#CC3(O)CCCCC3)cc2n1-c1ncnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3128042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RZXMIHOUHYSGJO-UHFFFAOYSA-N", "SMILES:COCCNc1nc2ccc(C#CC3(O)CCCCC3)cc2n1-c1ccnc(N)n1"]}
{"name": "Serine/threonine-protein kinase PAK 4", "xref": ["CHEMBL.TARGET:CHEMBL6066331"], "id": "UniProtKB:Q8BTW9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5686987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FQADRNAKESOLCX-UHFFFAOYSA-N", "SMILES:O=C(c1ccccc1Cl)c1n[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3128044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DWGBKURMOSNLJO-UHFFFAOYSA-N", "SMILES:Cc1nc2ccc(C#CC(C)(C)O)cc2n1-c1ncnc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581716", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVSKYVJHKGLQMZ-UHFFFAOYSA-N", "SMILES:CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3581734", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RGDHGNPUKLLPLT-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5686997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVTUVCIBZZWZNK-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)OC1CCN(CC(F)(F)C(F)(F)F)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687039", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEQWENRXWHYJOK-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2F)cc2c1N(C(=O)OC1CCN(CC(F)(F)C(F)(F)F)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687025", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVSWIMMAGDMXJJ-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2c(F)cc(F)cc2F)cc2c1N(C(=O)OC1CCN(CC(F)(F)C(F)(F)F)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NGAXPTZGBLONRL-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc2c1N(C(=O)OC1CCN(CC(F)(F)C(F)(F)F)CC1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687024", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HFJFNXFZXLOWJQ-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc2c1N(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QKTLKQSZDGVDRB-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc2c1N(c1ccc(-c3ccc(C(F)(F)F)cc3)cc1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VKDFXXAYLNRRSN-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc2c1N(c1ncc(-c3ccc(C(F)(F)F)cc3)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687021", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ORXQAQWFKBQAJY-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc2c1N(c1ncc(-c3ccc(C(F)(F)F)cc3F)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GAPFWYJVQQFTRI-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc2c1N(c1ncc(-n3cc(C(F)(F)F)cn3)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687034", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KBZUHDCOAPPGJM-UHFFFAOYSA-N", "SMILES:O=C1CCCN1c1cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc2c1N(c1ncc(-n3ccc(C(F)(F)F)n3)cn1)CC2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5686988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QMYJCXRORUYBJP-UHFFFAOYSA-N", "SMILES:Cc1cc(C(F)(F)F)nn1-c1cnc(N2CCc3cc(S(=O)(=O)Nc4c(F)cc(Cl)cc4F)cc(N4CCCC4=O)c32)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KNWHDKHWMSKOPX-UHFFFAOYSA-N", "SMILES:Cn1nc(C(F)(F)F)cc1-c1cnc(N2CCc3cc(S(=O)(=O)Nc4c(F)cc(Cl)cc4F)cc(N4CCNC4=O)c32)nc1"]}
{"name": "G protein-coupled receptor 52", "xref": ["CHEMBL.TARGET:CHEMBL6066828"], "id": "UniProtKB:A0A8I5ZQK1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5687032", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XRGDXPBYPNBGJI-UHFFFAOYSA-N", "SMILES:COc1cc2nc(C)nc(NC(C)c3ccc(-c4cnc5n4CCC5)s3)c2cc1OC"]}
{"name": "AF4/FMR2 family member 2", "xref": ["CHEMBL.TARGET:CHEMBL5724735"], "id": "UniProtKB:P51816", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA polymerase II elongation factor ELL", "xref": ["CHEMBL.TARGET:CHEMBL5725004"], "id": "UniProtKB:P55199", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Parafibromin", "xref": ["CHEMBL.TARGET:CHEMBL5724787"], "id": "UniProtKB:Q6P1J9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA polymerase-associated protein LEO1", "xref": ["CHEMBL.TARGET:CHEMBL5724636"], "id": "UniProtKB:Q8WVC0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA polymerase II-associated factor 1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5725179"], "id": "UniProtKB:Q8N7H5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Superkiller complex protein 8", "xref": ["CHEMBL.TARGET:CHEMBL5725101"], "id": "UniProtKB:Q9GZS3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tyrosine-protein kinase BAZ1B", "xref": ["CHEMBL.TARGET:CHEMBL3588730"], "id": "UniProtKB:Q9UIG0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear autoantigen Sp-100", "xref": ["CHEMBL.TARGET:CHEMBL6066216"], "id": "UniProtKB:P23497", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sp110 nuclear body protein", "xref": ["CHEMBL.TARGET:CHEMBL6066231"], "id": "UniProtKB:Q9HB58", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear body protein SP140", "xref": ["CHEMBL.TARGET:CHEMBL3108643"], "id": "UniProtKB:Q13342", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Probable ATP-dependent RNA helicase DDX41", "xref": ["CHEMBL.TARGET:CHEMBL5724760"], "id": "UniProtKB:Q9UJV9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone deacetylase complex subunit SAP18", "xref": ["CHEMBL.TARGET:CHEMBL5725107"], "id": "UniProtKB:O00422", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hepatoma-derived growth factor-related protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5724672"], "id": "UniProtKB:Q9Y3E1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleolar transcription factor 1", "xref": ["CHEMBL.TARGET:CHEMBL5725047"], "id": "UniProtKB:P17480", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tuftelin-interacting protein 11", "xref": ["CHEMBL.TARGET:CHEMBL5724604"], "id": "UniProtKB:Q9UBB9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Replication factor C subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL5725141"], "id": "UniProtKB:P35250", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "H/ACA ribonucleoprotein complex non-core subunit NAF1", "xref": ["CHEMBL.TARGET:CHEMBL5724617"], "id": "UniProtKB:Q96HR8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATPase family AAA domain-containing protein 5", "xref": ["CHEMBL.TARGET:CHEMBL1741209"], "id": "UniProtKB:Q96QE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin subunit alpha-5", "xref": ["CHEMBL.TARGET:CHEMBL5724654"], "id": "UniProtKB:P52294", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Calcium homeostasis endoplasmic reticulum protein", "xref": ["CHEMBL.TARGET:CHEMBL5724788"], "id": "UniProtKB:Q8IWX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromodomain-helicase-DNA-binding protein 9", "xref": ["CHEMBL.TARGET:CHEMBL5724783"], "id": "UniProtKB:Q3L8U1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Small nuclear ribonucleoprotein-associated proteins B and B'", "xref": ["CHEMBL.TARGET:CHEMBL5725130"], "id": "UniProtKB:P14678", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WD repeat-containing protein 26", "xref": ["CHEMBL.TARGET:CHEMBL5725059"], "id": "UniProtKB:Q9H7D7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H2B type 1-A", "xref": ["CHEMBL.TARGET:CHEMBL5724670"], "id": "UniProtKB:Q96A08", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "ATP-dependent RNA helicase DDX39A", "xref": ["CHEMBL.TARGET:CHEMBL4105795"], "id": "UniProtKB:O00148", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromodomain-helicase-DNA-binding protein 8", "xref": ["CHEMBL.TARGET:CHEMBL6066165"], "id": "UniProtKB:Q9HCK8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/arginine repetitive matrix protein 2", "xref": ["CHEMBL.TARGET:CHEMBL6066164"], "id": "UniProtKB:Q9UQ35", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger Ran-binding domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5725053"], "id": "UniProtKB:O95218", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PAX3- and PAX7-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725180"], "id": "UniProtKB:Q9Y5B6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dedicator of cytokinesis protein 2", "xref": ["CHEMBL.TARGET:CHEMBL4105810"], "id": "UniProtKB:Q92608", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "H/ACA ribonucleoprotein complex subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL5724611"], "id": "UniProtKB:Q9NX24", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily D member 1", "xref": ["CHEMBL.TARGET:CHEMBL5725090"], "id": "UniProtKB:Q96GM5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Metastasis-associated protein MTA2", "xref": ["CHEMBL.TARGET:CHEMBL5724628"], "id": "UniProtKB:O94776", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pre-mRNA-splicing factor CWC22 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5724778"], "id": "UniProtKB:Q9HCG8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone-lysine N-methyltransferase SETD1A", "xref": ["CHEMBL.TARGET:CHEMBL4105954"], "id": "UniProtKB:O15047", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H2A.Z", "xref": ["CHEMBL.TARGET:CHEMBL5724668"], "id": "UniProtKB:P0C0S5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H3.3", "xref": ["CHEMBL.TARGET:CHEMBL5724667"], "id": "UniProtKB:P84243", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA polymerase-associated protein RTF1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5725131"], "id": "UniProtKB:Q92541", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WD40 repeat-containing protein SMU1", "xref": ["CHEMBL.TARGET:CHEMBL5725069"], "id": "UniProtKB:Q2TAY7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cleavage and polyadenylation specificity factor subunit 2", "xref": ["CHEMBL.TARGET:CHEMBL6066175"], "id": "UniProtKB:Q9P2I0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SAP30-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL5725127"], "id": "UniProtKB:Q9UHR5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AT-rich interactive domain-containing protein 1A", "xref": ["CHEMBL.TARGET:CHEMBL6066172"], "id": "UniProtKB:O14497", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H2A type 2-B", "xref": ["CHEMBL.TARGET:CHEMBL5724676"], "id": "UniProtKB:Q8IUE6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "mRNA-capping enzyme", "xref": ["CHEMBL.TARGET:CHEMBL5724645"], "id": "UniProtKB:O60942", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription initiation factor TFIID subunit 9", "xref": ["CHEMBL.TARGET:CHEMBL5725078"], "id": "UniProtKB:Q16594", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pescadillo homolog", "xref": ["CHEMBL.TARGET:CHEMBL5725178"], "id": "UniProtKB:O00541", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mediator of RNA polymerase II transcription subunit 12", "xref": ["CHEMBL.TARGET:CHEMBL5724623"], "id": "UniProtKB:Q93074", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U4/U6 small nuclear ribonucleoprotein Prp3", "xref": ["CHEMBL.TARGET:CHEMBL5725149"], "id": "UniProtKB:O43395", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Integrin-linked kinase-associated protein phosphatase 2C isoform 1", "synonym": ["Integrin-linked kinase-associated serine/threonine phosphatase 2C"], "xref": ["CHEMBL.TARGET:CHEMBL2290"], "id": "UniProtKB:Q9H0C8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peptidyl-prolyl cis-trans isomerase G", "xref": ["CHEMBL.TARGET:CHEMBL3707467"], "id": "UniProtKB:Q13427", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nitric oxide synthase-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL5724614"], "id": "UniProtKB:Q9Y314", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WD repeat-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5725055"], "id": "UniProtKB:Q9UNX4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA-binding protein SATB2", "xref": ["CHEMBL.TARGET:CHEMBL5725029"], "id": "UniProtKB:Q9UPW6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger X-chromosomal protein", "xref": ["CHEMBL.TARGET:CHEMBL5725039"], "id": "UniProtKB:P17010", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Growth factor receptor-bound protein 10", "xref": ["CHEMBL.TARGET:CHEMBL3621028"], "id": "UniProtKB:Q13322", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mothers against decapentaplegic homolog 4", "xref": ["CHEMBL.TARGET:CHEMBL5725109"], "id": "UniProtKB:Q13485", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein-lysine N-trimethyltransferase SMYD5", "xref": ["CHEMBL.TARGET:CHEMBL5725091"], "id": "UniProtKB:Q6GMV2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Integrator complex subunit 6", "xref": ["CHEMBL.TARGET:CHEMBL5724659"], "id": "UniProtKB:Q9UL03", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pyridoxal phosphate homeostasis protein", "xref": ["CHEMBL.TARGET:CHEMBL5725171"], "id": "UniProtKB:O94903", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger protein Gfi-1", "xref": ["CHEMBL.TARGET:CHEMBL5725198"], "id": "UniProtKB:Q99684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor 3B subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL6066181"], "id": "UniProtKB:Q15427", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pre-mRNA-splicing factor RBM22", "xref": ["CHEMBL.TARGET:CHEMBL5725152"], "id": "UniProtKB:Q9NW64", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BRD4-interacting chromatin-remodeling complex-associated protein", "xref": ["CHEMBL.TARGET:CHEMBL5724771"], "id": "UniProtKB:Q9NZM4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Abasic site processing protein HMCES", "xref": ["CHEMBL.TARGET:CHEMBL5724664"], "id": "UniProtKB:Q96FZ2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription and mRNA export factor ENY2", "xref": ["CHEMBL.TARGET:CHEMBL5725124"], "id": "UniProtKB:Q9NPA8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Spliceosome-associated protein CWC27 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5724776"], "id": "UniProtKB:Q6UX04", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribose-5-phosphate isomerase", "xref": ["CHEMBL.TARGET:CHEMBL5725137"], "id": "UniProtKB:P49247", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutamate-rich WD repeat-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724692"], "id": "UniProtKB:Q9BQ67", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "WW domain-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5725057"], "id": "UniProtKB:Q969T9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mediator of RNA polymerase II transcription subunit 16", "xref": ["CHEMBL.TARGET:CHEMBL5724625"], "id": "UniProtKB:Q9Y2X0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Neurabin-2", "xref": ["CHEMBL.TARGET:CHEMBL5725188"], "id": "UniProtKB:Q96SB3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Msx2-interacting protein", "xref": ["CHEMBL.TARGET:CHEMBL5724626"], "id": "UniProtKB:Q96T58", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromosome alignment-maintaining phosphoprotein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724784"], "id": "UniProtKB:Q96JM3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leucine-rich repeat and WD repeat-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724638"], "id": "UniProtKB:Q9UFC0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PWWP domain-containing protein 2B", "xref": ["CHEMBL.TARGET:CHEMBL6066163"], "id": "UniProtKB:Q6NUJ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Guanine nucleotide-binding protein subunit beta-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724690"], "id": "UniProtKB:Q9BYB4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leucine-rich repeat-containing protein 40", "xref": ["CHEMBL.TARGET:CHEMBL5724637"], "id": "UniProtKB:Q9H9A6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "snRNA-activating protein complex subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL5725100"], "id": "UniProtKB:Q5SXM2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Schlafen family member 11", "xref": ["CHEMBL.TARGET:CHEMBL5725095"], "id": "UniProtKB:Q7Z7L1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Biogenesis of lysosome-related organelles complex 1 subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL5724755"], "id": "UniProtKB:Q8TDH9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "COP9 signalosome complex subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL5724761"], "id": "UniProtKB:Q9BT78", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromosome-associated kinesin KIF4A", "xref": ["CHEMBL.TARGET:CHEMBL6163"], "id": "UniProtKB:O95239", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein phosphatase 1 regulatory subunit 12A", "xref": ["CHEMBL.TARGET:CHEMBL3124"], "id": "UniProtKB:O14974", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "F-box only protein 22", "xref": ["CHEMBL.TARGET:CHEMBL5724687"], "id": "UniProtKB:Q8NEZ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RING-type E3 ubiquitin-protein ligase PPIL2", "xref": ["CHEMBL.TARGET:CHEMBL5725170"], "id": "UniProtKB:Q13356", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein HIRA", "xref": ["CHEMBL.TARGET:CHEMBL5724675"], "id": "UniProtKB:P54198", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein SON", "xref": ["CHEMBL.TARGET:CHEMBL5725088"], "id": "UniProtKB:P18583", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Profilin-2", "xref": ["CHEMBL.TARGET:CHEMBL5725166"], "id": "UniProtKB:P35080", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA methyltransferase 1-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724908"], "id": "UniProtKB:Q9NPF5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Putative E3 ubiquitin-protein ligase UBR7", "xref": ["CHEMBL.TARGET:CHEMBL5725042"], "id": "UniProtKB:Q8N806", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA-directed RNA polymerase I subunit RPA49", "xref": ["CHEMBL.TARGET:CHEMBL5725143"], "id": "UniProtKB:Q9GZS1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U1 small nuclear ribonucleoprotein 70 kDa", "xref": ["CHEMBL.TARGET:CHEMBL5725032"], "id": "UniProtKB:P08621", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Integrator complex subunit 9", "xref": ["CHEMBL.TARGET:CHEMBL5724660"], "id": "UniProtKB:Q9NV88", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TATA box-binding protein-associated factor RNA polymerase I subunit B", "xref": ["CHEMBL.TARGET:CHEMBL5725080"], "id": "UniProtKB:Q53T94", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U4/U6 small nuclear ribonucleoprotein Prp31", "xref": ["CHEMBL.TARGET:CHEMBL5725165"], "id": "UniProtKB:Q8WWY3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Phosphatidylinositol-3-phosphate phosphatase MTMR1", "xref": ["CHEMBL.TARGET:CHEMBL5724630"], "id": "UniProtKB:Q13613", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Glutathione peroxidase 1", "xref": ["CHEMBL.TARGET:CHEMBL2163186"], "id": "UniProtKB:P07203", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Beta/gamma crystallin domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL6066173"], "id": "UniProtKB:Q9Y4K1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CGG triplet repeat-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724774"], "id": "UniProtKB:Q9UFW8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Leucine zipper protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724640"], "id": "UniProtKB:Q86V48", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/threonine-protein phosphatase 1 regulatory subunit 10", "xref": ["CHEMBL.TARGET:CHEMBL5725163"], "id": "UniProtKB:Q96QC0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Transcription initiation factor TFIID subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL6066174"], "id": "UniProtKB:Q15542", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Caldesmon", "xref": ["CHEMBL.TARGET:CHEMBL5724794"], "id": "UniProtKB:Q05682", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Estradiol 17-beta-dehydrogenase 11", "xref": ["CHEMBL.TARGET:CHEMBL5305043"], "id": "UniProtKB:Q8NBQ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-like protein 8", "xref": ["CHEMBL.TARGET:CHEMBL5724738"], "id": "UniProtKB:Q9H568", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Integrator complex subunit 8", "xref": ["CHEMBL.TARGET:CHEMBL5724658"], "id": "UniProtKB:Q75QN2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Charged multivesicular body protein 1a", "xref": ["CHEMBL.TARGET:CHEMBL5724785"], "id": "UniProtKB:Q9HD42", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Regulation of nuclear pre-mRNA domain-containing protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5725129"], "id": "UniProtKB:Q5VT52", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pre-mRNA 3'-end-processing factor FIP1", "xref": ["CHEMBL.TARGET:CHEMBL5724686"], "id": "UniProtKB:Q6UN15", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Filaggrin-2", "xref": ["CHEMBL.TARGET:CHEMBL5724685"], "id": "UniProtKB:Q5D862", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Dachshund homolog 1", "xref": ["CHEMBL.TARGET:CHEMBL5724694"], "id": "UniProtKB:Q9UI36", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic initiation factor 4A-II", "xref": ["CHEMBL.TARGET:CHEMBL4105952"], "id": "UniProtKB:Q14240", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Wings apart-like protein homolog", "xref": ["CHEMBL.TARGET:CHEMBL5725044"], "id": "UniProtKB:Q7Z5K2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "General transcription factor 3C polypeptide 1", "xref": ["CHEMBL.TARGET:CHEMBL5725071"], "id": "UniProtKB:Q12789", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger protein RFP", "xref": ["CHEMBL.TARGET:CHEMBL5725067"], "id": "UniProtKB:P14373", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "G patch domain-containing protein 8", "xref": ["CHEMBL.TARGET:CHEMBL4523489"], "id": "UniProtKB:Q9UKJ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "AP-5 complex subunit zeta-1", "xref": ["CHEMBL.TARGET:CHEMBL5724750"], "id": "UniProtKB:O43299", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cell division cycle-associated protein 2", "xref": ["CHEMBL.TARGET:CHEMBL5724782"], "id": "UniProtKB:Q69YH5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Arginine and glutamate-rich protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724757"], "id": "UniProtKB:Q9NWB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "DNA excision repair protein ERCC-6-like", "xref": ["CHEMBL.TARGET:CHEMBL5724695"], "id": "UniProtKB:Q2NKX8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mediator of DNA damage checkpoint protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725194"], "id": "UniProtKB:Q14676", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Myosin regulatory light chain 12A", "xref": ["CHEMBL.TARGET:CHEMBL5724627"], "id": "UniProtKB:P19105", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pseudouridylate synthase 1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5725156"], "id": "UniProtKB:Q9Y606", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribosomal biogenesis protein LAS1L", "xref": ["CHEMBL.TARGET:CHEMBL5724634"], "id": "UniProtKB:Q9Y4W2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic peptide chain release factor GTP-binding subunit ERF3B", "xref": ["CHEMBL.TARGET:CHEMBL4105974"], "id": "UniProtKB:Q8IYD1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rhox homeobox family member 2", "xref": ["CHEMBL.TARGET:CHEMBL5725135"], "id": "UniProtKB:Q9BQY4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Malignant T-cell-amplified sequence 1", "xref": ["CHEMBL.TARGET:CHEMBL5724622"], "id": "UniProtKB:Q9ULC4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Eukaryotic translation initiation factor 3 subunit C", "xref": ["CHEMBL.TARGET:CHEMBL5725123"], "id": "UniProtKB:Q99613", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "BEN domain-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5724790"], "id": "UniProtKB:Q5T5X7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin subunit alpha-7", "xref": ["CHEMBL.TARGET:CHEMBL5724655"], "id": "UniProtKB:O60684", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Condensin-2 complex subunit D3", "xref": ["CHEMBL.TARGET:CHEMBL5724763"], "id": "UniProtKB:P42695", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Pinin", "xref": ["CHEMBL.TARGET:CHEMBL5725146"], "id": "UniProtKB:Q9H307", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "tRNA (34-2'-O)-methyltransferase regulator WDR6", "xref": ["CHEMBL.TARGET:CHEMBL5725054"], "id": "UniProtKB:Q9NNW5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger protein 618", "xref": ["CHEMBL.TARGET:CHEMBL5725046"], "id": "UniProtKB:Q5T7W0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "MAP7 domain-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5724641"], "id": "UniProtKB:Q8IWC1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinesin-like protein KIF2A", "xref": ["CHEMBL.TARGET:CHEMBL5725148"], "id": "UniProtKB:O00139", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Proline-rich protein 12", "xref": ["CHEMBL.TARGET:CHEMBL5725158"], "id": "UniProtKB:Q9ULL5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "INO80 complex subunit C", "xref": ["CHEMBL.TARGET:CHEMBL5724656"], "id": "UniProtKB:Q6PI98", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein DEK", "xref": ["CHEMBL.TARGET:CHEMBL6066180"], "id": "UniProtKB:P35659", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "LIM domain and actin-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725027"], "id": "UniProtKB:Q9UHB6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Structural maintenance of chromosomes flexible hinge domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725097"], "id": "UniProtKB:A6NHR9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cell division control protein 45 homolog", "xref": ["CHEMBL.TARGET:CHEMBL3040"], "id": "UniProtKB:O75419", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "SNW domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725096"], "id": "UniProtKB:Q13573", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Death domain-associated protein 6", "xref": ["CHEMBL.TARGET:CHEMBL5724773"], "id": "UniProtKB:Q9UER7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cilia- and flagella-associated protein 20", "xref": ["CHEMBL.TARGET:CHEMBL5724749"], "id": "UniProtKB:Q9Y6A4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein FRG1", "xref": ["CHEMBL.TARGET:CHEMBL5724682"], "id": "UniProtKB:Q14331", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "STING ER exit protein", "xref": ["CHEMBL.TARGET:CHEMBL5725082"], "id": "UniProtKB:Q9H5V9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PHD finger-like domain-containing protein 5A", "xref": ["CHEMBL.TARGET:CHEMBL5725168"], "id": "UniProtKB:Q7RTV0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear factor related to kappa-B-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL5725193"], "id": "UniProtKB:Q6P4R8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Coilin", "xref": ["CHEMBL.TARGET:CHEMBL5724767"], "id": "UniProtKB:P38432", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "TOX high mobility group box family member 4", "xref": ["CHEMBL.TARGET:CHEMBL6067464"], "id": "UniProtKB:O94842", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger BED domain-containing protein 4", "xref": ["CHEMBL.TARGET:CHEMBL5725051"], "id": "UniProtKB:O75132", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein S100-A8", "xref": ["CHEMBL.TARGET:CHEMBL5725128"], "id": "UniProtKB:P05109", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cleavage and polyadenylation specificity factor subunit 3", "xref": ["CHEMBL.TARGET:CHEMBL5724779"], "id": "UniProtKB:Q9UKF6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromatin-remodeling ATPase INO80", "xref": ["CHEMBL.TARGET:CHEMBL5724657"], "id": "UniProtKB:Q9ULG1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cleavage and polyadenylation specificity factor subunit 4", "xref": ["CHEMBL.TARGET:CHEMBL6066178"], "id": "UniProtKB:O95639", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "C-terminal-binding protein 2", "xref": ["CHEMBL.TARGET:CHEMBL3797016"], "id": "UniProtKB:P56545", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serpin B10", "xref": ["CHEMBL.TARGET:CHEMBL5725094"], "id": "UniProtKB:P48595", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "CD59 glycoprotein", "xref": ["CHEMBL.TARGET:CHEMBL5724795"], "id": "UniProtKB:P13987", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Chromatin assembly factor 1 subunit B", "xref": ["CHEMBL.TARGET:CHEMBL5724753"], "id": "UniProtKB:Q13112", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Metastasis-associated protein MTA1", "xref": ["CHEMBL.TARGET:CHEMBL5724629"], "id": "UniProtKB:Q13330", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Origin recognition complex subunit 5", "xref": ["CHEMBL.TARGET:CHEMBL5725187"], "id": "UniProtKB:O43913", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "PITH domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725173"], "id": "UniProtKB:Q9GZP4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "General transcription factor 3C polypeptide 4", "xref": ["CHEMBL.TARGET:CHEMBL5724603"], "id": "UniProtKB:Q9UKN8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "General transcription factor IIF subunit 1", "xref": ["CHEMBL.TARGET:CHEMBL6066158"], "id": "UniProtKB:P35269", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear protein AMMECR1", "xref": ["CHEMBL.TARGET:CHEMBL5724732"], "id": "UniProtKB:Q9Y4X0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin, alpha cardiac muscle 1", "xref": ["CHEMBL.TARGET:CHEMBL6066852"], "id": "UniProtKB:P68032", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 ubiquitin-protein ligase RAD18", "xref": ["CHEMBL.TARGET:CHEMBL5725157"], "id": "UniProtKB:Q9NS91", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-related protein 8", "xref": ["CHEMBL.TARGET:CHEMBL5725020"], "id": "UniProtKB:Q9H981", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Flotillin-1", "xref": ["CHEMBL.TARGET:CHEMBL5209841"], "id": "UniProtKB:O75955", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Recombining binding protein suppressor of hairless", "xref": ["CHEMBL.TARGET:CHEMBL4105709"], "id": "UniProtKB:Q06330", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nuclear factor of activated T-cells, cytoplasmic 3", "xref": ["CHEMBL.TARGET:CHEMBL5725192"], "id": "UniProtKB:Q12968", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tudor-interacting repair regulator protein", "xref": ["CHEMBL.TARGET:CHEMBL5724605"], "id": "UniProtKB:Q9BRJ7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleolar complex protein 4 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5725186"], "id": "UniProtKB:Q9BVI4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serpin B8", "xref": ["CHEMBL.TARGET:CHEMBL5725085"], "id": "UniProtKB:P50452", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Splicing factor 3B subunit 6", "xref": ["CHEMBL.TARGET:CHEMBL6066176"], "id": "UniProtKB:Q9Y3B4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Nucleus accumbens-associated protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724631"], "id": "UniProtKB:Q96RE7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hsp70-binding protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724653"], "id": "UniProtKB:Q9NZL4", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein pelota homolog", "xref": ["CHEMBL.TARGET:CHEMBL6066177"], "id": "UniProtKB:Q9BRX2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "U4/U6 small nuclear ribonucleoprotein Prp4", "xref": ["CHEMBL.TARGET:CHEMBL1163119"], "id": "UniProtKB:O43172", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Arginine/serine-rich protein PNISR", "xref": ["CHEMBL.TARGET:CHEMBL5725138"], "id": "UniProtKB:Q8TF01", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "E3 SUMO-protein ligase PIAS4", "xref": ["CHEMBL.TARGET:CHEMBL5725174"], "id": "UniProtKB:Q8N2W9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Cytospin-A", "xref": ["CHEMBL.TARGET:CHEMBL5724777"], "id": "UniProtKB:Q69YQ0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "High mobility group protein HMG-I/HMG-Y", "xref": ["CHEMBL.TARGET:CHEMBL5724678"], "id": "UniProtKB:P17096", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Xaa-Arg dipeptidase", "xref": ["CHEMBL.TARGET:CHEMBL5725160"], "id": "UniProtKB:Q8IYS1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Replication termination factor 2", "xref": ["CHEMBL.TARGET:CHEMBL5725112"], "id": "UniProtKB:Q9BY42", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Engulfment and cell motility protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725199"], "id": "UniProtKB:Q92556", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Microspherule protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724632"], "id": "UniProtKB:Q96EZ8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Actin-related protein 5", "xref": ["CHEMBL.TARGET:CHEMBL5725012"], "id": "UniProtKB:Q9H9F9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Protein IWS1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5724649"], "id": "UniProtKB:Q96ST2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Importin subunit alpha-4", "xref": ["CHEMBL.TARGET:CHEMBL4523119"], "id": "UniProtKB:O00505", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Zinc finger C3HC-type protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725037"], "id": "UniProtKB:Q86WB0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Isochorismatase domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5724662"], "id": "UniProtKB:Q96CN7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "RNA-binding motif protein, X chromosome", "xref": ["CHEMBL.TARGET:CHEMBL5725147"], "id": "UniProtKB:P38159", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "HIRA-interacting protein 3", "xref": ["CHEMBL.TARGET:CHEMBL5724673"], "id": "UniProtKB:Q9BW71", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serine/arginine repetitive matrix protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725075"], "id": "UniProtKB:Q8IYB3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ubiquitin/ISG15-conjugating enzyme E2 L6", "xref": ["CHEMBL.TARGET:CHEMBL5725040"], "id": "UniProtKB:O14933", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Desmocollin-1", "xref": ["CHEMBL.TARGET:CHEMBL5724910"], "id": "UniProtKB:Q08554", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Hornerin", "xref": ["CHEMBL.TARGET:CHEMBL5724652"], "id": "UniProtKB:Q86YZ3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Ribonuclease P protein subunit p30", "xref": ["CHEMBL.TARGET:CHEMBL6066182"], "id": "UniProtKB:P78346", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Mini-chromosome maintenance complex-binding protein", "xref": ["CHEMBL.TARGET:CHEMBL5724633"], "id": "UniProtKB:Q9BTE3", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Methionine-R-sulfoxide reductase B3", "xref": ["CHEMBL.TARGET:CHEMBL3509604"], "id": "UniProtKB:Q8IXL7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Target of EGR1 protein 1", "xref": ["CHEMBL.TARGET:CHEMBL5725065"], "id": "UniProtKB:Q96GM8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Peptidyl-prolyl cis-trans isomerase-like 4", "xref": ["CHEMBL.TARGET:CHEMBL5725153"], "id": "UniProtKB:Q8WUA2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Serpin B12", "xref": ["CHEMBL.TARGET:CHEMBL5725093"], "id": "UniProtKB:Q96P63", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Kinesin-like protein KIF18B", "xref": ["CHEMBL.TARGET:CHEMBL6066179"], "id": "UniProtKB:Q86Y91", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Male-specific lethal 1 homolog", "xref": ["CHEMBL.TARGET:CHEMBL5725182"], "id": "UniProtKB:Q68DK7", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Sin3 histone deacetylase corepressor complex component SDS3", "xref": ["CHEMBL.TARGET:CHEMBL5725030"], "id": "UniProtKB:Q9H7L9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Biorientation of chromosomes in cell division protein 1-like 1", "xref": ["CHEMBL.TARGET:CHEMBL5724770"], "id": "UniProtKB:Q8NFC6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Rho guanine nucleotide exchange factor 6", "xref": ["CHEMBL.TARGET:CHEMBL5725019"], "id": "UniProtKB:Q15052", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lymphoid-specific helicase", "xref": ["CHEMBL.TARGET:CHEMBL5724665"], "id": "UniProtKB:Q9NRZ9", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Histone H2A type 1-D", "xref": ["CHEMBL.TARGET:CHEMBL5724669"], "id": "UniProtKB:P20671", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL218962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VMANCBCSTYKPPA-UHFFFAOYSA-N", "SMILES:Nc1ccccc1Nc1ccc2c(c1)CCc1ccccc1C2=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMBFDGUGXMOMHX-BQYQJAHWSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705844", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ASCPSRDSSMPJDW-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XLFJEGWLJGWRSM-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]ncc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705830", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWNAOXLCVXJMGM-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705821", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FCNPQYHKUYSELK-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705826", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JIOOBLLPEPCAAJ-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(NC)n4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705846", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AMHWQBGAKJESFB-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5cc(OC)c(OC)cc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705831", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RPDGGTQIKZCYAP-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3cccc(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705836", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VRQUVHJCYIYPBG-UHFFFAOYSA-N", "SMILES:Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc(C(F)(F)F)c2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705840", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFGWSAWNQPAURN-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Oc1ncnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705829", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PPCIDOUXWYIBPO-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(CCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705835", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PCFQERXLBAHWRY-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(OCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705833", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AEDVVBUJBUGSKN-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2cc(C(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)ccc2C)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4791091", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HXKJJIMUMNPQQY-UHFFFAOYSA-N", "SMILES:CNc1cc(Oc2cc(C(=O)Nc3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705839", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLKMNKWCYPTDSI-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(OC)c(Oc4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705841", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LDOZZFMVGLMIQV-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(C(=O)NC)c4)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705822", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CYCZSOQHBKKPCR-ZHACJKMWSA-N", "SMILES:COc1c(/C=C/c2cc(C(=O)Nc3cccc(C(C)(C)C#N)c3)ccc2C)cnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705824", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WKKRGQXAOQBWDF-UHFFFAOYSA-N", "SMILES:COc1c(CCc2cc(C(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)ccc2C)cnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705834", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NNEJCBWOFHOVOJ-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3cccc(CCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705838", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KIKWQMYBPTZHDS-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3cccc(CCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705832", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MHQXLXWGKQJHKC-BQYQJAHWSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3cccc(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705827", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NEXZHNDSVAUZAG-UHFFFAOYSA-N", "SMILES:CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705842", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OWHLXTINLAVFEZ-BQYQJAHWSA-N", "SMILES:COc1c(/C=C/c2cc(C(=O)Nc3ccc(CN4CCC(N(C)C)C4)c(C(F)(F)F)c3)ccc2C)cnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705843", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BXNTUCKXFWOYEG-VOTSOKGWSA-N", "SMILES:COc1c(/C=C/c2cc(C(=O)Nc3ccc(OC4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)cnc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705823", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DVSCMQYVVNQSPV-UHFFFAOYSA-N", "SMILES:CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(CCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705828", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UCQQJVSCRHAIBQ-MDZDMXLPSA-N", "SMILES:CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705820", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZKOAELVAYZWBQ-UHFFFAOYSA-N", "SMILES:CC(C)(CCc1nn[nH]n1)c1ccc(C(=O)Nc2cn3cc(C(F)(F)F)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705825", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GBGGIMLSIAMNIU-UHFFFAOYSA-N", "SMILES:CC(C)(CCc1nn[nH]n1)c1ccc(C(=O)Nc2cn3cc(-c4ccncc4)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705845", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FXJXWMHTTPOMGS-UHFFFAOYSA-N", "SMILES:CC(C)(C(=O)N1CCNCC1)c1ccc(C(=O)Nc2cn3cc(-c4ccncc4)ccc3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5705837", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WIEIWEIYUCWIAA-UHFFFAOYSA-N", "SMILES:CCN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5ccncc5)ccc4n3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1231605", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CQFGXDQUQWRXLE-UHFFFAOYSA-N", "SMILES:c1ccc(Nc2c[nH]c3ncccc23)cc1"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4294155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ISOCDPQFIXDIMS-QHCPKHFHSA-N", "SMILES:O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@@H]1CCCN1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712067", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YOIRMHLOUIBBDG-UHFFFAOYSA-N", "SMILES:Cl.Cl.O=c1[nH]ccc2c(S(=O)(=O)N3CCCNCC3)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL375312", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLIIUAHHAZEXEX-UHFFFAOYSA-N", "SMILES:CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712056", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QHCIQFMNJUEKFJ-NSCUHMNNSA-N", "SMILES:O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)Nc1cccc2cnccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712065", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KEJPESDCHUPRQN-UHFFFAOYSA-N", "SMILES:CNC(=O)C(Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1"]}
{"name": "Centromere protein E", "xref": ["CHEMBL.TARGET:CHEMBL6066827"], "id": "UniProtKB:A0A8P0P634", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9615"]}
{"name": "Centromere-associated protein E", "xref": ["CHEMBL.TARGET:CHEMBL6066183"], "id": "UniProtKB:Q6RT24", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712053", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OFXLDXQJVJZUIS-RUZDIDTESA-N", "SMILES:Cc1cccn2cc(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1235786", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMJMRSQTDLRCRQ-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3974629", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WELBJLUKWAJOQV-UHFFFAOYSA-N", "SMILES:CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1433", "category": ["biolink:ChemicalEntity"], "name": "DOXYCYCLINE ANHYDROUS", "xref": ["InChIKey:JBIWCJUYHHGXTC-AKNGSSGZSA-N", "SMILES:C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21"], "synonym": ["Anhydrous doxycycline", "Doxycycline (anhydrous)"], "chembl_black_box_warning": "True", "chembl_natural_product": true, "chembl_availability_type": "prescription only"}
{"id": "CHEMBL.COMPOUND:CHEMBL5712047", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFYOZCBFOSSLNJ-UHFFFAOYSA-N", "SMILES:Cl.NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1"]}
{"name": "Transient receptor potential cation channel subfamily A member 1", "xref": ["CHEMBL.TARGET:CHEMBL6066835"], "id": "UniProtKB:A0A1D5QMT1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9544"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1086589", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XFAKQJSOOQVAHX-UHFFFAOYSA-N", "SMILES:Cc1ccc(C(=O)NC(Sc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL108541", "category": ["biolink:ChemicalEntity"], "name": "TRINITROPHENOL", "xref": ["InChIKey:OXNIZHLAWKMVMX-UHFFFAOYSA-N", "SMILES:O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1"], "synonym": ["Trinitrophenol", "Picric acid", "NSC-36947"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4594174", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WQFSSFZRPZQMEO-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2204997", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WCKDYPHUXUBMEB-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4557033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HENBTKZOVQDYEY-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(CC)CC3)nc2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4593352", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNBZYKQPAMPZJW-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(F)cn2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4554500", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PISZOYJJQULKKF-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(F)cc2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712054", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IFSQHIRDVVFJSQ-UHFFFAOYSA-N", "SMILES:CCCc1cc(C)n(C)c(=O)c1CN(C)C(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712052", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KPLMFJOHLDZNOO-YABVTERDSA-N", "SMILES:CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(CCCCc4cn(CCN5C(=O)/C(=C/C=C/C=C6\\N(CCC(=O)OCOC(C)=O)c7ccc(C(=O)OCOC(C)=O)cc7C6(C)C)C(=O)N(CC)C5=O)nn4)CC3)nc2)cc2c1cnn2C(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5303523", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LKOFXMLMYKWELM-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C4CCNCC4)c3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3414622", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKGSPAAPQRPBW-OAQYLSRUSA-N", "SMILES:O=C([C@@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712060", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JCKGSPAAPQRPBW-NRFANRHFSA-N", "SMILES:O=C([C@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712041", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CSJRAVANKQNOJI-LIAHQXGHSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCOCCOCCOCCOCCC(=O)NCCCCCCn1cc(COc2ccc(C(=O)c3ccc(C[C@@H](NS(=O)(=O)c4cc(F)c5c(c4)CCNC5)C(=O)N4CCCC4)cc3)cc2)nn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712069", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NSRLDBCWWLHGKF-AIRLBKTGSA-N", "SMILES:C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](N2CNc3c(N)ncnc32)[C@H](O)[C@@H]1O"]}
{"name": "Histone-lysine N-methyltransferase SETD7", "xref": ["CHEMBL.TARGET:CHEMBL5725106"], "id": "UniProtKB:Q8VHL1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712062", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VXYZCOCRVAQWBG-VCANKDNSSA-N", "SMILES:C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)C2C=CC(F)=CC21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712050", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XJPIRGSNEBMRTI-KXQOOQHDSA-N", "SMILES:CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)Cl)c4)cc3)CC2)=C(c2ccc(Cl)cc2)C1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712043", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QBLGBXYDINNUFE-UHFFFAOYSA-N", "SMILES:Cl.Cn1c(CNc2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)nnc1-c1ccncc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712057", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DGAQVRUVRMVHMM-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(=O)(=O)NC4CC4)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712051", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KVNLGIMGIRGSHA-UHFFFAOYSA-N", "SMILES:CN1CCC(NS(=O)(=O)c2ccc(Nc3ncc4c(n3)N(C)c3ccsc3C(=O)N4C)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712068", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MMRWJIRVBQUTBI-UHFFFAOYSA-N", "SMILES:CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(C)(=O)=O)cc3)ncc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712064", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DUCUHEOVMCVLSB-UHFFFAOYSA-N", "SMILES:CSc1ccc(Nc2ncc3c(n2)N(C)c2ccsc2C(=O)N3C)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3397300", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OVDSPTSBIQCAIN-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4203266", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GCYIGMXOIWJGBU-UHFFFAOYSA-N", "SMILES:COc1cc(N2CCC(N)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712063", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:APCSTSDFTPTBCD-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc2c(cc1Cl)[nH]c(=O)n2C1CCN(Cc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712048", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MWKMTMXSHNUORJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc2c(c1)n(C1CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC1)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712061", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZCSUZSPITGQRCI-RMKNXTFCSA-N", "SMILES:CN(C)C/C=C/C(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712049", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LRGXTKXODXMFAS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(NC(=O)NC2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)ccc1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712045", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBWLQGDQPQQPOJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccccc1C(=O)NC1CCN(Cc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712042", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NIVNUJQVBHZNPS-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(C(=O)NC2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712055", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ATOPRMWPARCXGA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712044", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSNBMZBSOKMXBU-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)c(F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712046", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CFBHICUXQWKPLV-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712066", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HPNFXAQTRASOEA-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)s1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712058", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UTCANENLERUEGW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1ccc(C2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712059", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JEKCWZJROOKWAJ-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cccc(CNC2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712881", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KCDBUSRDQOGHHD-BCKHXJLTSA-N", "SMILES:O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(Nc2cc(C(=O)N3CCC(N4CCCC4)CC3)ccc2C(=O)N2CCC(N3CCCC3)CC2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426474", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOUMUCTZMMLNTR-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1)N1CCC(N2CCCCC2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2426498", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIWUTKCNKODAMJ-UHFFFAOYSA-N", "SMILES:O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1"]}
{"name": "MBT domain-containing protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1287625"], "id": "UniProtKB:Q05BQ5", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lethal(3)malignant brain tumor-like protein 4", "xref": ["CHEMBL.TARGET:CHEMBL1287624"], "id": "UniProtKB:Q8NA19", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Lethal(3)malignant brain tumor-like protein 1", "xref": ["CHEMBL.TARGET:CHEMBL1287622"], "id": "UniProtKB:Q9Y468", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5712880", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTHJTGYMZVUARQ-CDNYQOMKSA-N", "SMILES:CCN1C(=O)/C(=C\\C=C\\C=C2\\N(CCC(=O)OCOC(C)=O)c3ccc(C(=O)OCOC(C)=O)cc3C2(C)C)C(=O)N(CCC(=O)NCCCCCCNC(=O)c2ccc(Nc3cc(C(=O)N4CCC(N5CCCC5)CC4)ccc3C(=O)N3CCC(N4CCCC4)CC3)cc2)C1=O"]}
{"name": "PHD finger protein 20", "xref": ["CHEMBL.TARGET:CHEMBL6067596"], "id": "UniProtKB:Q9BVI0", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL515916", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FOORCIAZMIWALX-JJIBRWJFSA-N", "SMILES:Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(Cc2ccccc2)CC1"]}
{"name": "Bromodomain-containing protein 4", "xref": ["CHEMBL.TARGET:CHEMBL6066530"], "id": "UniProtKB:F1R5H6", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:7955"]}
{"name": "Protein arginine N-methyltransferase 5", "xref": ["CHEMBL.TARGET:CHEMBL5724733"], "id": "UniProtKB:Q8CIG8", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3739699", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KHWCPNJRJCNVRI-UHFFFAOYSA-N", "SMILES:CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1950956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WOSGOHDUUBVSBO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccn2)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769417", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HVSSZTVSUPRWAL-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2cccs2)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769490", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LZLQZXYENRVRHD-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2O)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769769", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VJEUURLGGZZNAT-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2cccc(O)c2)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770112", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ILGINCARRNUCRR-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2CO)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770410", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KAOMCMKLLFPALN-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2cccc(C(N)=O)c2)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769588", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UBXKVSHZPDOJKM-UHFFFAOYSA-N", "SMILES:COc1ccc(-c2cc(C(C)=O)n3ccccc23)c(CO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3769753", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PZRQCNQQUHNIDV-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccc(CO)cc2)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771080", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ICFNXQGQCBQFBL-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccc(N(C)C)cc2)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770847", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RAUURLIZMTUFSY-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2ccccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771216", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ROFXVCWNRLBADO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2CO)c2cc(C)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770155", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GMXMZKZEBRJELW-UHFFFAOYSA-N", "SMILES:COc1ccn2c(C(C)=O)cc(-c3ccccc3CO)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770449", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UMHBIHQZTUMFNE-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2CO)c2cc(N3CCOCC3)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3771370", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CMVRHYGPXFLFCH-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2CO)c2cc(C(N)=O)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770493", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:AHWAKNWAECVAHU-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2CO)c2cc(Oc3ccccc3)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770199", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YNASUOAGWKASOK-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(CNC(=O)OC(C)(C)C)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770277", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DNOOBVIUDXIJGO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(Oc3ccccc3)ccn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770214", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XEDBHRINPFDNQZ-UHFFFAOYSA-N", "SMILES:COc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770738", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JYQYFBWVLAVQDO-UHFFFAOYSA-N", "SMILES:CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(C)ccn12"]}
{"name": "WD repeat-containing protein 5", "xref": ["CHEMBL.TARGET:CHEMBL6066202"], "id": "UniProtKB:P61965", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3824146", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UIULTDHSORWSLL-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cn(C)c(=O)c3ccccc23)cc(OC)c1CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3823697", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GQTWFQWDINXZPP-UHFFFAOYSA-N", "SMILES:COc1cc(-c2cc(C)c(=O)n(C)c2C)cc(OC)c1CN(C)C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL71309", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WRNMBFWQBKEBIX-UHFFFAOYSA-N", "SMILES:CCN(CC)Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c(C(=O)NO)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5715244", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BBKUPPVLTRGWDN-GDLZYMKVSA-N", "SMILES:Cc1nnn(C)c1-c1cnc2c3c4cnn(C)c4ccc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL91609", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWNMORIHKRROGW-UHFFFAOYSA-N", "SMILES:O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1"], "synonym": ["Ro-5-3335"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4080906", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KSGZCKSNTAJOJS-DZBMUNJRSA-N", "SMILES:CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2(C)[C@@H](c5ccc6ccncc6c5)CC[C@H]24)C=C3[C@@H](O)[C@@H]1O"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL174661", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OAUKGFJQZRGECT-UUOKFMHZSA-N", "SMILES:Nc1ncnc2c1nnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"], "chembl_natural_product": true}
{"name": "Double-stranded RNA-specific editase 1", "xref": ["CHEMBL.TARGET:CHEMBL5725136"], "id": "UniProtKB:P78563", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1459534", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTXRSHKJNDFHGA-UHFFFAOYSA-N", "SMILES:O=C1Nc2ccccc2C12OCC1(CO2)COC2(OC1)C(=O)Nc1ccccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1802728", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XHEQSRJCJTWWAH-UHFFFAOYSA-N", "SMILES:CCN(CC)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5715256", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OHIDKVLPLAFGPA-UHFFFAOYSA-N", "SMILES:CCn1c(SCC(C)=O)nc2c1c(=O)[nH]c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5715252", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BSISGUIVBKDTQO-YYLNTOIZSA-N", "SMILES:COc1cc(Cl)c(C(=O)N[C@H](CN[C@H]2CC[C@@H](N)CC2)Cc2ccc(C#N)cc2)cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1"]}
{"name": "Protein arginine N-methyltransferase 3", "xref": ["CHEMBL.TARGET:CHEMBL6066230"], "id": "UniProtKB:Q922H1", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10090"]}
{"id": "CHEMBL.COMPOUND:CHEMBL205799", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YLDHRDIOVUTLTI-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2cccc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)c2)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL382362", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DQPJVNQWPBLBAB-UHFFFAOYSA-N", "SMILES:CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(CNC(C)C(C)(C)C)cc4)s3)cc(C)c2C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2107337", "category": ["biolink:ChemicalEntity"], "name": "ENZASTAURIN HYDROCHLORIDE", "xref": ["InChIKey:UUADYKVKJIMIPA-UHFFFAOYSA-N", "SMILES:Cl.Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21"], "synonym": ["Enzastaurin hydrochloride", "Enzastaurin hcl", "Enzastaurin hydrochloride", "Enzastaurin monohydrochloride", "LY-317615 HYDROCHLORIDE", "LY317615 HYDROCHLORIDE", "Enzastaurin hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723022", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GLDSKRNGVVYJAB-BYYHNAKLSA-N", "SMILES:CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\\Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2105727", "category": ["biolink:ChemicalEntity"], "name": "ABEXINOSTAT HYDROCHLORIDE", "xref": ["InChIKey:DCLVURDKBXJXFG-UHFFFAOYSA-N", "SMILES:CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12.Cl"], "synonym": ["Abexinostat hcl", "Pci-24781 hydrochloride", "CRA 024781 HYDROCHLORIDE", "CRA 24781 HYDROCHLORIDE", "CRA-024781 HCL", "CRA-024781 HYDROCHLORIDE", "CRA-024781-01", "PCI 24781 HYDROCHLORIDE", "PCI-24781-01", "S-78454-1", "S78454-1", "Abexinostat hydrochloride"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723026", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LFXYKQWGMLZWIQ-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(Sc3ccncc3)cc2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722944", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JBEBICRKDVJRLI-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722947", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PKANTBSWOZAELI-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723010", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GKEVVTKMXYIPIS-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)cc(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722964", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MBMQBCHWCMZWAI-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3cccc4[nH]ncc34)c(F)c2)cc(-c2ccncc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723027", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:CXGQGMOLYRKMNR-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c2cccc(Oc3ccc(Nc4cc(-c5ccncc5)nc(N)n4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722952", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IMCLZNLXZOPSFO-UHFFFAOYSA-N", "SMILES:Nc1nccc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722951", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MLRBPAYJOZZPLV-UHFFFAOYSA-N", "SMILES:Nc1nc(Cl)cc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722953", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YYVAFHRSYYILOH-UHFFFAOYSA-N", "SMILES:Cc1cc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)nc(N)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722999", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HNRYNUKHVFSNKT-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723017", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IEHAKQSQNMOGHE-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(N2CCCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722977", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZMXBGMFATFCLIU-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(N2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723011", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:PHUDPIWWUSUDNL-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(C2CCNCC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722939", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XYAYWJKKMKZLMJ-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(C2CCCNC2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722956", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XWTMJDBGYBQRLX-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(-c2cccnc2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722955", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QSHCALCSFLHRFA-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(-c2ccccn2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723015", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HIXFPZKJMJLVBH-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2nccc(Oc3ccc(Nc4cc(-c5ccncc5)nc(N)n4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722974", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JVNCCNGPBYCHQV-UHFFFAOYSA-N", "SMILES:CCc1c[nH]c2nccc(Oc3ccc(Nc4cc(-c5ccncc5)nc(N)n4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723002", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XBHZTXNFMXRUGT-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2nccc(Oc3ccc(Nc4ccnc(N)n4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5428272", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FTXXVTOEOSFKCD-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2nccc(Oc3ccc(Nc4cc(Cl)nc(N)n4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722966", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OOCLTDJYQVTZBW-UHFFFAOYSA-N", "SMILES:Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4ccnc(N)n4)cc3F)c12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722984", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TUYBFSHOAFURJC-UHFFFAOYSA-N", "SMILES:Nc1nc(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)cc(C(F)(F)F)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723028", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OJRVINDNYRRSAQ-UHFFFAOYSA-N", "SMILES:CC(Oc1cc(-c2cnn(CCCC#N)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722973", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FMEVJCDQZZZMHA-CYBMUJFWSA-N", "SMILES:C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)c(F)cc2c1OCCO2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723016", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RSZZWPDCCYKXGM-UHFFFAOYSA-N", "SMILES:OCCn1cc(-c2cnc3nnn(Cc4cc5cccnc5cc4F)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2431819", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VQYHPUHKYSSEOB-ZDUSSCGKSA-N", "SMILES:C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cnn(C)c3)nn12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722969", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:JLNMOXLBPUEIPE-UHFFFAOYSA-N", "SMILES:Cn1cc(-c2cnc3nnn(Cc4cc5cccnc5cc4F)c3n2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722976", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KTUVPBFMEDTAFW-UHFFFAOYSA-N", "SMILES:NCCCCCCNC(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722996", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UVHFQXVEUFIUKY-UHFFFAOYSA-N", "SMILES:O=C(O)CCOCCCc1cccc(-c2nc(=O)c3ccccc3s2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723007", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OKMYSMTXGXKOII-UHFFFAOYSA-N", "SMILES:O=C(O)CCOCCCc1ccc(-c2nc(=O)c3ccccc3s2)nc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL1627201", "category": ["biolink:ChemicalEntity"], "name": "L-SULFORAPHANE", "xref": ["InChIKey:SUVMJBTUFCVSAD-JTQLQIEISA-N", "SMILES:C[S@+]([O-])CCCCN=C=S"], "synonym": ["L-sulforaphane"], "chembl_natural_product": true}
{"id": "CHEMBL.COMPOUND:CHEMBL4091991", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFMJNHNUOVADRW-UHFFFAOYSA-N", "SMILES:C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NS(C)(=O)=O)cc5)cc4c32)ccc1C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722954", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GZMVECPBSUHMMJ-UHFFFAOYSA-N", "SMILES:COc1ccccc1-c1cc(Nc2cccc(NS(C)(=O)=O)c2)ncn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4303293", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QECMENZMDBOLDR-AWEZNQCLSA-N", "SMILES:Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(N)=O)c1nnc(C)n1-2"]}
{"id": "CHEMBL.COMPOUND:CHEMBL464552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HZTYDQRUAWIZRE-UHFFFAOYSA-N", "SMILES:CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL608154", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZNOLRTPMNMPLHY-UHFFFAOYSA-N", "SMILES:COc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C"], "synonym": ["ML-120B"]}
{"id": "CHEMBL.COMPOUND:CHEMBL595583", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYWWNRBKPCPJMG-UHFFFAOYSA-N", "SMILES:CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2177736", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TXGKRVFSSHPBAJ-JKSUJKDBSA-N", "SMILES:NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL520549", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RUAOVVIUGUOYHA-AATRIKPKSA-N", "SMILES:COc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C/C=C/c2ccc(Cl)cc2)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722978", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VZDPLMKEFMWBMM-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1c[nH]cc1-c1cccc(C(F)(F)F)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722993", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KXMOTUWXUMLQRY-UHFFFAOYSA-N", "SMILES:CN(CCN)Cc1n[nH]nc1-c1cccc(C(F)(F)F)c1"]}
{"name": "AT-rich interactive domain-containing protein 4A", "xref": ["CHEMBL.TARGET:CHEMBL3709855"], "id": "UniProtKB:P29374", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tudor domain-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL3879852"], "id": "UniProtKB:Q9H7E2", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722968", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQIOKCGKANUGG-KRWDZBQOSA-N", "SMILES:CC(C)Oc1ccc(-c2nn([C@@H](C)c3nc4cccc(F)c4c(=O)n3-c3ccccc3)c3ncnc(N)c23)cc1F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722975", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:NMGAYEPMDQPJSO-QHCPKHFHSA-N", "SMILES:CC[C@@H](c1nc2cccc(F)c2c(=O)n1-c1ccccc1)n1nc(-c2ccc(OC(C)C)c(F)c2)c2c(N)ncnc21"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723005", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:ZFSIZIIEXBCBTN-UHFFFAOYSA-N", "SMILES:CCC(=O)N1CCN(c2ccc(N3C(=O)CCc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3770173", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YUNQZQREIHWDQT-UHFFFAOYSA-N", "SMILES:COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3752151", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UEMQPCYDWCSVCU-UHFFFAOYSA-N", "SMILES:COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3356143", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QCIJLRJBZDBVDB-UHFFFAOYSA-N", "SMILES:COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C"]}
{"name": "Bromodomain and WD repeat-containing protein 3", "xref": ["CHEMBL.TARGET:CHEMBL3769296"], "id": "UniProtKB:Q6RI45", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "Tripartite motif-containing protein 66", "xref": ["CHEMBL.TARGET:CHEMBL4296267"], "id": "UniProtKB:O15016", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"id": "CHEMBL.COMPOUND:CHEMBL446325", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBIXVHPHNGXTCI-QJTYZATASA-N", "SMILES:NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2370569", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:QVQOGNOOAMQKCE-ZTYVOHGWSA-N", "SMILES:COc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL938", "category": ["biolink:ChemicalEntity"], "name": "SARALASIN", "xref": ["InChIKey:PFGWGEPQIUAZME-NXSMLHPHSA-N", "SMILES:CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C"], "synonym": ["Saralasin", "Saralasin", "Saralasine", "Saralasina", "1-sar-8-ala-angiotensin ii", "Sar-arg-val-tyr-val-his-pro-ala"], "chembl_natural_product": true, "chembl_availability_type": "discontinued"}
{"id": "CHEMBL.COMPOUND:CHEMBL501079", "category": ["biolink:ChemicalEntity"], "name": "GALANIN", "xref": ["InChIKey:SLZIZIJTGAYEKK-CIJSCKBQSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL267633", "category": ["biolink:ChemicalEntity"], "name": "NEUROPEPTIDE-Y", "xref": ["InChIKey:URPYMXQQVHTUDU-OFGSCBOVSA-N", "SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722992", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:TWIRHPORFCSGEQ-WTWMNNMUSA-N", "SMILES:CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL373758", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGMUIZGMOHGDPQ-UHFFFAOYSA-N", "SMILES:COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC.Cl"]}
{"id": "CHEMBL.COMPOUND:CHEMBL103772", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OTVQCHUIPJYASM-UHFFFAOYSA-N", "SMILES:c1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)c[nH]2)cc1"], "synonym": ["[3H]NGD-941"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4998385", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BDMFEHDPFNGHCK-UHFFFAOYSA-N", "SMILES:Cn1nccc1CNCCNc1cccc(Br)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722967", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SBZZZUGGGYMLIG-SFHVURJKSA-N", "SMILES:Cc1ccc2nc(CN[C@H](c3cccs3)C3CC3)cc(=O)n2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722960", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BYXSNRPLLXTCPK-UHFFFAOYSA-N", "SMILES:Cc1ccsc1CN(C)Cc1cc(=O)n2ccccc2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723018", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RBZCNSQNMUFZLJ-JTQLQIEISA-N", "SMILES:C[C@@H](Cc1cncs1)NCc1cc(=O)c2cc(F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722948", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HWQOQIALQACUAC-UHFFFAOYSA-N", "SMILES:Cc1csc(CCCNCc2cc(=O)c3cc(F)ccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722962", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RWKYKCYWFWUSJX-UHFFFAOYSA-N", "SMILES:CCCn1cc(CNCc2cc(=O)c3cc(F)ccc3[nH]2)cn1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722985", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IZKUHPROPBOLIW-AWEZNQCLSA-N", "SMILES:Cc1ccc2[nH]c(CNCCC[C@H]3CCOC3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722979", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:GHUSCRMNKRPGIF-UHFFFAOYSA-N", "SMILES:O=c1cc(CNCC2(O)CCCCC2)[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4898361", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VUSWDIUBHOAYTF-UHFFFAOYSA-N", "SMILES:Oc1cc(CNCCc2nccs2)nc2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722937", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SFJMSVZOYBETDT-UHFFFAOYSA-N", "SMILES:CCc1nc(CCNCc2cc(=O)c3cc(F)ccc3[nH]2)cs1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722942", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HAWQMYOZAVJAAU-UHFFFAOYSA-N", "SMILES:Cc1n[nH]c(C)c1CCCNCc1cc(=O)c2cc(F)ccc2[nH]1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723013", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:XVKHRTZJGRUPKV-UHFFFAOYSA-N", "SMILES:O=c1cc(CNCCc2nc3c(s2)CCC3)[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722986", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RNXHEGUTRMDFBY-UHFFFAOYSA-N", "SMILES:O=c1cc(CNCCc2csc(-c3ncccn3)n2)[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723030", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:DHBWDAGTQIJXAE-UHFFFAOYSA-N", "SMILES:O=c1cc(CNCCCc2nnc3ccccn23)[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723033", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WFUYQQZDMPEHJA-UHFFFAOYSA-N", "SMILES:CC(C)c1csc(CCNCc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL3485708", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:UHANDXVZRWBILR-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNCCCN3CCCC3=O)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722958", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:IGZBCMTWIQCPEL-UHFFFAOYSA-N", "SMILES:CN(CCCc1nccn1C)Cc1cc(O)c2cccc(Cl)c2n1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723000", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:WZQGYSWXCRURTP-UHFFFAOYSA-N", "SMILES:Cc1ccc2nc(CNCCCn3ccnc3)cc(O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL4579981", "category": ["biolink:ChemicalEntity"], "name": "UCSF924NC", "xref": ["InChIKey:PALPPRFQCFXPCD-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(CNCCCc3ccncc3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722980", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VVPXZCNAVVFYID-UHFFFAOYSA-N", "SMILES:Cc1ccc2[nH]c(CNCCSc3nc(C)n[nH]3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722982", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:LETBWDWZFLFXEO-UHFFFAOYSA-N", "SMILES:O=c1cc(CNCCCOc2cccnc2)[nH]c2ccc(F)cc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723004", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:KRMDEUKNWNOTNS-HNNXBMFYSA-N", "SMILES:Cc1ccc2[nH]c(CNCC[C@@H]3CCCCO3)cc(=O)c2c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722959", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:YFAAPKMRVXJMFA-SNVBAGLBSA-N", "SMILES:O=c1cc(CNC[C@H]2CCOC2)[nH]c2c(F)cccc12"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722987", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BTIZXJFJJCRTBP-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1ccnc(Nc2ccc3c(c2)CC(=O)N3)n1)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5723019", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:FBCYLDMQAGIHQR-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccccc2)ncc1C(F)(F)F)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722988", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BGSIFDQKHZHFOI-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5c(c4)CC(=O)N5)n3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722946", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:HOEAQQRLTIBABU-UHFFFAOYSA-N", "SMILES:O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4cccnc4)n3)ccc2N1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722989", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:VLCXBDGNSAGPRB-QZTJIDSGSA-N", "SMILES:CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(C(=O)NC3CC3)cc2)ncc1C(F)(F)F"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5722981", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:MUVVMGFRHXQCRG-UHFFFAOYSA-N", "SMILES:CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5724552", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:RIEBAXQZOMUWKX-UHFFFAOYSA-N", "SMILES:CCCCC(=O)N1CC2(C1)CN(c1ccccc1-c1nnn[nH]1)C2"]}
{"name": "A disintegrin and metalloproteinase with thrombospondin motifs 12", "xref": ["CHEMBL.TARGET:CHEMBL6066065"], "id": "UniProtKB:P58397", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:9606"]}
{"name": "cGMP-dependent 3',5'-cyclic phosphodiesterase", "xref": ["CHEMBL.TARGET:CHEMBL4650"], "id": "UniProtKB:Q01062", "category": ["biolink:Protein"], "in_taxon": ["NCBITaxon:10116"]}
{"id": "CHEMBL.COMPOUND:CHEMBL2207559", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:SYRVEVZSXHRXIX-KRWDZBQOSA-N", "SMILES:CCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C)CC1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5315550", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:BUIJBFHGUQJYSD-XZOQPEGZSA-N", "SMILES:COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)[C@H]2CCC[C@@H](N3CCN(C)CC3)C2)c(C)c1"]}
{"id": "CHEMBL.COMPOUND:CHEMBL5724557", "category": ["biolink:ChemicalEntity"], "xref": ["InChIKey:OLEFHQBTXFCZON-HXUWFJFHSA-N", "SMILES:CC#CC(=O)N1CC(N2CCC(c3cc(C)c4c(c3)Nc3ncnc(N5CCS(=O)(=O)CC5)c3[C@@H](C)O4)CC2)C1"]}